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+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C4CC4)s3)C2)[C@H]1C(C)C ZINC001550423129 1126206636 /nfs/dbraw/zinc/20/66/36/1126206636.db2.gz ICCBOLYGLOQHNR-BMFAXAFESA-N 1 3 349.544 2.980 20 0 EFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C4CC4)s3)C2)[C@H]1C(C)C ZINC001550423129 1126206638 /nfs/dbraw/zinc/20/66/38/1126206638.db2.gz ICCBOLYGLOQHNR-BMFAXAFESA-N 1 3 349.544 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001569683377 1085514351 /nfs/dbraw/zinc/51/43/51/1085514351.db2.gz IPRSDXHOPYBKPV-FPOVZHCZSA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001570000332 1085841539 /nfs/dbraw/zinc/84/15/39/1085841539.db2.gz KYSWOQSQXAHZFW-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1cccc2ccccc21 ZINC001571406524 1086791747 /nfs/dbraw/zinc/79/17/47/1086791747.db2.gz DQDRWTBITLHDQK-OAHLLOKOSA-N 1 3 336.439 2.742 20 0 EFADHO C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1CCC[NH3+] ZINC001646510784 1087812473 /nfs/dbraw/zinc/81/24/73/1087812473.db2.gz VKRAYCHRLBMUBL-BHIYHBOVSA-N 1 3 346.519 2.838 20 0 EFADHO Cc1ccc([C@H](CNC(=O)c2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC001646736988 1088190312 /nfs/dbraw/zinc/19/03/12/1088190312.db2.gz ANKHDMNMRZLUHD-IBGZPJMESA-N 1 3 325.456 2.529 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001646741966 1088200192 /nfs/dbraw/zinc/20/01/92/1088200192.db2.gz JPMHHXVMMBOVSJ-QFBILLFUSA-N 1 3 347.503 2.541 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001646750835 1088213569 /nfs/dbraw/zinc/21/35/69/1088213569.db2.gz FRLCOHFQNZHLKM-JKSUJKDBSA-N 1 3 325.884 2.822 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)C1 ZINC001575141327 1088264616 /nfs/dbraw/zinc/26/46/16/1088264616.db2.gz WSVRBFDNHXHYKP-QRWLVFNGSA-N 1 3 347.478 2.753 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CC3CNC3)C2)CC1 ZINC001575171551 1088286695 /nfs/dbraw/zinc/28/66/95/1088286695.db2.gz FJEBPSBJAOHSAM-KRWDZBQOSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CNC3)C2)CC1 ZINC001575171551 1088286711 /nfs/dbraw/zinc/28/67/11/1088286711.db2.gz FJEBPSBJAOHSAM-KRWDZBQOSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(CC3C[NH2+]C3)C2)CC1 ZINC001575171551 1088286729 /nfs/dbraw/zinc/28/67/29/1088286729.db2.gz FJEBPSBJAOHSAM-KRWDZBQOSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@@H](N)C3CC3)cc2C1 ZINC001575202163 1088304678 /nfs/dbraw/zinc/30/46/78/1088304678.db2.gz OCQFEDJQADWPQB-GOSISDBHSA-N 1 3 345.487 2.807 20 0 EFADHO CC(C)(C)OC(=O)N1CCc2c(C[NH2+]CC3(N)CCC3)cccc2C1 ZINC001575203227 1088307189 /nfs/dbraw/zinc/30/71/89/1088307189.db2.gz ZQLYKEXQQGFSAT-UHFFFAOYSA-N 1 3 345.487 2.951 20 0 EFADHO CC(C)(C)OC(=O)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001575216505 1088315731 /nfs/dbraw/zinc/31/57/31/1088315731.db2.gz SXCHOCIUYMPBPU-UHFFFAOYSA-N 1 3 345.487 2.821 20 0 EFADHO CC(C)(CN)C[N@@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001575315485 1088387619 /nfs/dbraw/zinc/38/76/19/1088387619.db2.gz QIYYCJKQDPVRGA-KRWDZBQOSA-N 1 3 333.476 2.610 20 0 EFADHO CC(C)(CN)C[N@H+]1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC001575315485 1088387639 /nfs/dbraw/zinc/38/76/39/1088387639.db2.gz QIYYCJKQDPVRGA-KRWDZBQOSA-N 1 3 333.476 2.610 20 0 EFADHO CC(C)(CN)C[N@@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001575315488 1088387827 /nfs/dbraw/zinc/38/78/27/1088387827.db2.gz QIYYCJKQDPVRGA-QGZVFWFLSA-N 1 3 333.476 2.610 20 0 EFADHO CC(C)(CN)C[N@H+]1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC001575315488 1088387849 /nfs/dbraw/zinc/38/78/49/1088387849.db2.gz QIYYCJKQDPVRGA-QGZVFWFLSA-N 1 3 333.476 2.610 20 0 EFADHO CC(C)([NH3+])c1cc(CNC[C@H]2CCN(c3ccccc3F)C2)on1 ZINC001575366380 1088416899 /nfs/dbraw/zinc/41/68/99/1088416899.db2.gz WSVOZKPDKSLFEX-CYBMUJFWSA-N 1 3 332.423 2.624 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423321 1088458841 /nfs/dbraw/zinc/45/88/41/1088458841.db2.gz RUIOMPJOMCQDMM-UONOGXRCSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423321 1088458852 /nfs/dbraw/zinc/45/88/52/1088458852.db2.gz RUIOMPJOMCQDMM-UONOGXRCSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@H](C[NH3+])CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423321 1088458856 /nfs/dbraw/zinc/45/88/56/1088458856.db2.gz RUIOMPJOMCQDMM-UONOGXRCSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCC[NH3+])CC2 ZINC001575519793 1088527405 /nfs/dbraw/zinc/52/74/05/1088527405.db2.gz FTROWQKFEUSEPL-HNNXBMFYSA-N 1 3 325.497 2.693 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001575544123 1088544773 /nfs/dbraw/zinc/54/47/73/1088544773.db2.gz FZYAGFDKNYTDDU-NEPJUHHUSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@@H]([NH3+])CC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC001575626515 1088599471 /nfs/dbraw/zinc/59/94/71/1088599471.db2.gz HUNQKDJAGMLHLA-GOSISDBHSA-N 1 3 331.504 2.873 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC001575807763 1088702542 /nfs/dbraw/zinc/70/25/42/1088702542.db2.gz ZOOXXXPIUGVXPF-ZIFCJYIRSA-N 1 3 347.503 2.710 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N(C)C)cc1 ZINC001575807762 1088703708 /nfs/dbraw/zinc/70/37/08/1088703708.db2.gz ZOOXXXPIUGVXPF-SCTDSRPQSA-N 1 3 347.503 2.710 20 0 EFADHO CCN1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)C1 ZINC001647135900 1088975739 /nfs/dbraw/zinc/97/57/39/1088975739.db2.gz JADRFYFOLHOLOE-CVEARBPZSA-N 1 3 334.460 2.621 20 0 EFADHO C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC001576238697 1089036339 /nfs/dbraw/zinc/03/63/39/1089036339.db2.gz IRYCGFBPEYUCTF-OWCLPIDISA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576239505 1089037160 /nfs/dbraw/zinc/03/71/60/1089037160.db2.gz OOXURYCFMQYVMA-HRCADAONSA-N 1 3 325.497 2.896 20 0 EFADHO CC1CCC(N2CCN(C(=O)c3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC001647247028 1089159824 /nfs/dbraw/zinc/15/98/24/1089159824.db2.gz SDXDWAHSPKCPSV-UHFFFAOYSA-N 1 3 341.499 2.669 20 0 EFADHO C[C@]1(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH2+]C1 ZINC001576526829 1089308406 /nfs/dbraw/zinc/30/84/06/1089308406.db2.gz ZOPQTYJVNKIBSL-OAHLLOKOSA-N 1 3 330.259 2.911 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC001576534885 1089313966 /nfs/dbraw/zinc/31/39/66/1089313966.db2.gz VGWOORSVXIXYPK-QPIRBTGLSA-N 1 3 329.488 2.990 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576597313 1089347484 /nfs/dbraw/zinc/34/74/84/1089347484.db2.gz FLRIVNOFIYGBKK-QZWWFDLISA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576597313 1089347498 /nfs/dbraw/zinc/34/74/98/1089347498.db2.gz FLRIVNOFIYGBKK-QZWWFDLISA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600022 1089350609 /nfs/dbraw/zinc/35/06/09/1089350609.db2.gz XJKCZHHSBIACFC-OAGGEKHMSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600022 1089350623 /nfs/dbraw/zinc/35/06/23/1089350623.db2.gz XJKCZHHSBIACFC-OAGGEKHMSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576670997 1089388826 /nfs/dbraw/zinc/38/88/26/1089388826.db2.gz NNEKNJWCVOICRT-DZKIICNBSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@@H]1NCc2ccccc21 ZINC001576669323 1089389015 /nfs/dbraw/zinc/38/90/15/1089389015.db2.gz PYFOVJVKWQPMNA-AYBZRNKSSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693551 1089400396 /nfs/dbraw/zinc/40/03/96/1089400396.db2.gz HGALIBJXYHPNIB-HZPDHXFCSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693551 1089400409 /nfs/dbraw/zinc/40/04/09/1089400409.db2.gz HGALIBJXYHPNIB-HZPDHXFCSA-N 1 3 348.560 2.875 20 0 EFADHO O[C@@H](CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC001647435680 1089406728 /nfs/dbraw/zinc/40/67/28/1089406728.db2.gz NMINCGZSUGIFFM-INIZCTEOSA-N 1 3 326.843 2.978 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)c2ccccc2)CC1 ZINC001576729646 1089423952 /nfs/dbraw/zinc/42/39/52/1089423952.db2.gz UIPUIZVSSXFWEZ-RBUKOAKNSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC001576808854 1089469540 /nfs/dbraw/zinc/46/95/40/1089469540.db2.gz KBINKGYPNGQRSD-QFUCXCTJSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001576982144 1089563268 /nfs/dbraw/zinc/56/32/68/1089563268.db2.gz SBAOFJCJIOVMIG-LXZKKBNFSA-N 1 3 339.911 2.865 20 0 EFADHO CC[C@H](C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCC1 ZINC001576992541 1089570375 /nfs/dbraw/zinc/57/03/75/1089570375.db2.gz NMKDQSNZFCWLHD-IRXDYDNUSA-N 1 3 348.539 2.671 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccco1 ZINC001577004234 1089578618 /nfs/dbraw/zinc/57/86/18/1089578618.db2.gz SKZPLPBOQOWCEH-FCEWJHQRSA-N 1 3 348.491 2.636 20 0 EFADHO CC[C@@H](CNC(=O)NCC([NH3+])(CC)CC)N1CCc2ccccc2C1 ZINC001577085294 1089640836 /nfs/dbraw/zinc/64/08/36/1089640836.db2.gz WIMZIDIBELXKTQ-SFHVURJKSA-N 1 3 346.519 2.640 20 0 EFADHO CC[C@H](CNC(=O)C[C@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC001577085635 1089643377 /nfs/dbraw/zinc/64/33/77/1089643377.db2.gz OLJOBNVBGKUKBZ-RTBURBONSA-N 1 3 331.504 2.703 20 0 EFADHO CC[C@@H](CNCc1ccc(N2CC[NH2+]CC2)o1)Oc1cccc(F)c1 ZINC001577089319 1089643414 /nfs/dbraw/zinc/64/34/14/1089643414.db2.gz KQFQUNXJJBFGIE-INIZCTEOSA-N 1 3 347.434 2.776 20 0 EFADHO CC[C@@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC001577085633 1089643495 /nfs/dbraw/zinc/64/34/95/1089643495.db2.gz OLJOBNVBGKUKBZ-OALUTQOASA-N 1 3 331.504 2.703 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001577495387 1090009234 /nfs/dbraw/zinc/00/92/34/1090009234.db2.gz IFABHSQQYKUSAF-AEFFLSMTSA-N 1 3 337.895 2.839 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC001577781509 1090179691 /nfs/dbraw/zinc/17/96/91/1090179691.db2.gz NZZPMUPGYUMIAB-GOSISDBHSA-N 1 3 344.503 2.545 20 0 EFADHO CCc1[nH]c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C(=O)OC ZINC001578243240 1090316315 /nfs/dbraw/zinc/31/63/15/1090316315.db2.gz JYUKRDIEZRONRY-GJZGRUSLSA-N 1 3 333.476 2.575 20 0 EFADHO CCc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC001578266111 1090322033 /nfs/dbraw/zinc/32/20/33/1090322033.db2.gz ZIPNXKIXLURZOZ-MRXNPFEDSA-N 1 3 339.483 2.689 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]([NH3+])C1CCCCCC1)Cc1ccco1 ZINC001578466911 1090379862 /nfs/dbraw/zinc/37/98/62/1090379862.db2.gz YKCSEPHNGKMGMC-GOSISDBHSA-N 1 3 335.492 2.858 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001578587398 1090403599 /nfs/dbraw/zinc/40/35/99/1090403599.db2.gz FELNQBQIBAYNLF-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC001578716596 1090425599 /nfs/dbraw/zinc/42/55/99/1090425599.db2.gz RJPMWGMJNJEWMY-OXJNMPFZSA-N 1 3 339.483 2.870 20 0 EFADHO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc2c(c1)CNC2 ZINC001579150951 1090527762 /nfs/dbraw/zinc/52/77/62/1090527762.db2.gz YRHZREHLMUTZIC-UHFFFAOYSA-N 1 3 325.412 2.612 20 0 EFADHO COc1ccc(NC(=O)CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC001579226245 1090551545 /nfs/dbraw/zinc/55/15/45/1090551545.db2.gz LARZYMPVXLHIOR-SFHVURJKSA-N 1 3 327.428 2.704 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC001579284991 1090578486 /nfs/dbraw/zinc/57/84/86/1090578486.db2.gz SZXNSKVAVNCCRU-DNVCBOLYSA-N 1 3 334.460 2.676 20 0 EFADHO Cc1c(C[C@@H](CN)C[NH2+]CCCc2cccc(Cl)c2)cnn1C ZINC001579529089 1090627800 /nfs/dbraw/zinc/62/78/00/1090627800.db2.gz BVGOWKOCOOSKFD-INIZCTEOSA-N 1 3 334.895 2.722 20 0 EFADHO Cc1c(C[C@@H](CN)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cnn1C ZINC001579529077 1090627918 /nfs/dbraw/zinc/62/79/18/1090627918.db2.gz AUYYQQUNWPCZRZ-PWIZWCRZSA-N 1 3 326.488 2.772 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001579764915 1090681751 /nfs/dbraw/zinc/68/17/51/1090681751.db2.gz IZFHNCJGPMJQOV-MAUKXSAKSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1ccccc1-n1cc(CN[C@@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC001579785526 1090686059 /nfs/dbraw/zinc/68/60/59/1090686059.db2.gz PEBHMNQBMVFKKZ-LJQANCHMSA-N 1 3 339.487 2.978 20 0 EFADHO Clc1cc(CCN2CCC3(C[NH2+]C3)CC2)cc2c1OCCCO2 ZINC001579938021 1090727804 /nfs/dbraw/zinc/72/78/04/1090727804.db2.gz LDTIYUZDPAERAQ-UHFFFAOYSA-N 1 3 336.863 2.729 20 0 EFADHO Cn1c2ccccc2nc1C(C)(C)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001579944203 1090729487 /nfs/dbraw/zinc/72/94/87/1090729487.db2.gz GQVSIWYTVMKUIO-OAHLLOKOSA-N 1 3 342.487 2.557 20 0 EFADHO [NH3+][C@H](CN[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)CC(F)F ZINC001580131208 1090783959 /nfs/dbraw/zinc/78/39/59/1090783959.db2.gz BHDXPOVZJHHLIZ-LSDHHAIUSA-N 1 3 332.398 2.573 20 0 EFADHO [NH3+]C1(CCNCCOc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC001580144994 1090788601 /nfs/dbraw/zinc/78/86/01/1090788601.db2.gz PMFCWHCDSOTGFC-UHFFFAOYSA-N 1 3 333.259 2.860 20 0 EFADHO [NH3+]C1(CCN(Cc2ccc(F)cc2)C2CCOCC2)CCOCC1 ZINC001580143680 1090788614 /nfs/dbraw/zinc/78/86/14/1090788614.db2.gz CKFGHSANDUEIAS-UHFFFAOYSA-N 1 3 336.451 2.705 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NCc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001580176707 1090801535 /nfs/dbraw/zinc/80/15/35/1090801535.db2.gz QUZHOFFSOZBVCE-CVEARBPZSA-N 1 3 348.878 2.975 20 0 EFADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCNC(c2ccccc2)c2ccccc2)C1 ZINC001580405139 1090889997 /nfs/dbraw/zinc/88/99/97/1090889997.db2.gz PXQVXMUBPGHERW-NNMXDRDESA-N 1 3 349.478 2.609 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC001580661955 1090979792 /nfs/dbraw/zinc/97/97/92/1090979792.db2.gz WOZJWSAHZPGUKL-BVBHFADKSA-N 1 3 333.520 2.820 20 0 EFADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CC[C@H]2CCCCN21 ZINC001580793160 1091010202 /nfs/dbraw/zinc/01/02/02/1091010202.db2.gz BSRZASDTYHLQQM-UKRRQHHQSA-N 1 3 334.489 2.566 20 0 EFADHO O=C(OCc1ccccc1)[C@@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580805889 1091016003 /nfs/dbraw/zinc/01/60/03/1091016003.db2.gz ZYAAYYAKYGOHPS-IPQPSQTFSA-N 1 3 328.456 2.725 20 0 EFADHO O[C@@]1(CN2CCc3c(cccc3C(F)(F)F)C2)CCC[NH2+]CC1 ZINC001580879989 1091033776 /nfs/dbraw/zinc/03/37/76/1091033776.db2.gz IMXWZDKGMOOGIL-INIZCTEOSA-N 1 3 328.378 2.568 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2)C1 ZINC001087212741 1092868785 /nfs/dbraw/zinc/86/87/85/1092868785.db2.gz OJNAGFVBHNGKAX-HBFSDRIKSA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001650005185 1092872613 /nfs/dbraw/zinc/87/26/13/1092872613.db2.gz LIJQVLQTMVBSFG-OTWHNJEPSA-N 1 3 347.503 2.723 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087213036 1092873462 /nfs/dbraw/zinc/87/34/62/1092873462.db2.gz AYWLJFJKVOXNPI-LMMKCTJWSA-N 1 3 349.563 2.981 20 0 EFADHO CN1CC[C@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230147 1093046251 /nfs/dbraw/zinc/04/62/51/1093046251.db2.gz YXHBPULSXMVJKB-ABAIWWIYSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@@H+]1CC[C@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230147 1093046260 /nfs/dbraw/zinc/04/62/60/1093046260.db2.gz YXHBPULSXMVJKB-ABAIWWIYSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@H+]1CC[C@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230147 1093046270 /nfs/dbraw/zinc/04/62/70/1093046270.db2.gz YXHBPULSXMVJKB-ABAIWWIYSA-N 1 3 335.814 2.956 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCF)CC2)CC1)N(C)C ZINC001075454360 1093049431 /nfs/dbraw/zinc/04/94/31/1093049431.db2.gz ROKDZVDWZOCVAQ-SJLPKXTDSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCF)CC2)CC1)N(C)C ZINC001075454360 1093049438 /nfs/dbraw/zinc/04/94/38/1093049438.db2.gz ROKDZVDWZOCVAQ-SJLPKXTDSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001589708245 1093126866 /nfs/dbraw/zinc/12/68/66/1093126866.db2.gz IALQUKMUJPBSPD-UHFFFAOYSA-N 1 3 346.454 2.606 20 0 EFADHO CN1CCN(c2ccc(N3C(C)(C)CC([NH3+])CC3(C)C)cc2)CC1 ZINC001167625389 1093141743 /nfs/dbraw/zinc/14/17/43/1093141743.db2.gz RUNRPWMAGVDXLZ-UHFFFAOYSA-N 1 3 330.520 2.923 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001167627003 1093148296 /nfs/dbraw/zinc/14/82/96/1093148296.db2.gz IRVQKFZNYNGPJD-SFHVURJKSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001167635671 1093169008 /nfs/dbraw/zinc/16/90/08/1093169008.db2.gz NAXBWIHAHNTIAG-FQEVSTJZSA-N 1 3 345.531 2.978 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001650340971 1093169359 /nfs/dbraw/zinc/16/93/59/1093169359.db2.gz WZVWXJZCHDALDS-BHIYHBOVSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001650340971 1093169362 /nfs/dbraw/zinc/16/93/62/1093169362.db2.gz WZVWXJZCHDALDS-BHIYHBOVSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]([NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1)C1CC[NH+](C)CC1 ZINC001589951479 1093190807 /nfs/dbraw/zinc/19/08/07/1093190807.db2.gz GHDQJSCZOQPADO-AWEZNQCLSA-N 1 3 340.475 2.566 20 0 EFADHO C[C@H]([NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1)C1CC[NH+](C)CC1 ZINC001589951479 1093190811 /nfs/dbraw/zinc/19/08/11/1093190811.db2.gz GHDQJSCZOQPADO-AWEZNQCLSA-N 1 3 340.475 2.566 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589954189 1093194125 /nfs/dbraw/zinc/19/41/25/1093194125.db2.gz GRTJVEHDITYIID-BELGNNRLSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589954189 1093194128 /nfs/dbraw/zinc/19/41/28/1093194128.db2.gz GRTJVEHDITYIID-BELGNNRLSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589977935 1093203780 /nfs/dbraw/zinc/20/37/80/1093203780.db2.gz BJESQOLKTMDUKN-DJKXOVBDSA-N 1 3 348.454 2.576 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589977935 1093203788 /nfs/dbraw/zinc/20/37/88/1093203788.db2.gz BJESQOLKTMDUKN-DJKXOVBDSA-N 1 3 348.454 2.576 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458351 1093227344 /nfs/dbraw/zinc/22/73/44/1093227344.db2.gz DAAKRJGOUWHHTK-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458351 1093227351 /nfs/dbraw/zinc/22/73/51/1093227351.db2.gz DAAKRJGOUWHHTK-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458353 1093227690 /nfs/dbraw/zinc/22/76/90/1093227690.db2.gz DAAKRJGOUWHHTK-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458353 1093227697 /nfs/dbraw/zinc/22/76/97/1093227697.db2.gz DAAKRJGOUWHHTK-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075459101 1093240925 /nfs/dbraw/zinc/24/09/25/1093240925.db2.gz YLJLRSHICIEUCH-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075459101 1093240931 /nfs/dbraw/zinc/24/09/31/1093240931.db2.gz YLJLRSHICIEUCH-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC001590141568 1093284805 /nfs/dbraw/zinc/28/48/05/1093284805.db2.gz JDXPXRKYUPHYAJ-UHFFFAOYSA-N 1 3 346.504 2.815 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC001590141568 1093284809 /nfs/dbraw/zinc/28/48/09/1093284809.db2.gz JDXPXRKYUPHYAJ-UHFFFAOYSA-N 1 3 346.504 2.815 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461900 1093334407 /nfs/dbraw/zinc/33/44/07/1093334407.db2.gz VYUHGRYEFJHOQI-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461900 1093334415 /nfs/dbraw/zinc/33/44/15/1093334415.db2.gz VYUHGRYEFJHOQI-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590258852 1093349043 /nfs/dbraw/zinc/34/90/43/1093349043.db2.gz CTTKEVDOVPZQCQ-AWEZNQCLSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590258852 1093349054 /nfs/dbraw/zinc/34/90/54/1093349054.db2.gz CTTKEVDOVPZQCQ-AWEZNQCLSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590258852 1093349064 /nfs/dbraw/zinc/34/90/64/1093349064.db2.gz CTTKEVDOVPZQCQ-AWEZNQCLSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590258852 1093349075 /nfs/dbraw/zinc/34/90/75/1093349075.db2.gz CTTKEVDOVPZQCQ-AWEZNQCLSA-N 1 3 346.454 2.608 20 0 EFADHO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590467562 1093440155 /nfs/dbraw/zinc/44/01/55/1093440155.db2.gz QHWAWXXSNRPQSO-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590467562 1093440161 /nfs/dbraw/zinc/44/01/61/1093440161.db2.gz QHWAWXXSNRPQSO-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590686731 1093548363 /nfs/dbraw/zinc/54/83/63/1093548363.db2.gz ARVNVZMBNBAGAK-OAHLLOKOSA-N 1 3 330.480 2.775 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590686731 1093548367 /nfs/dbraw/zinc/54/83/67/1093548367.db2.gz ARVNVZMBNBAGAK-OAHLLOKOSA-N 1 3 330.480 2.775 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096367 1094469221 /nfs/dbraw/zinc/46/92/21/1094469221.db2.gz SPRKSFCRMCIVAV-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096367 1094469226 /nfs/dbraw/zinc/46/92/26/1094469226.db2.gz SPRKSFCRMCIVAV-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CCC1 ZINC001481096506 1094475778 /nfs/dbraw/zinc/47/57/78/1094475778.db2.gz VRPKVXUJBKGWLU-ZAOIQFLMSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CCC1 ZINC001481096506 1094475785 /nfs/dbraw/zinc/47/57/85/1094475785.db2.gz VRPKVXUJBKGWLU-ZAOIQFLMSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCCCCF ZINC001104676599 1094590250 /nfs/dbraw/zinc/59/02/50/1094590250.db2.gz QWTMZJYGOWRGGN-FGTMMUONSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCC3CCC3)C2)C1 ZINC001104680809 1094608474 /nfs/dbraw/zinc/60/84/74/1094608474.db2.gz YBDCSJZIPCVOBC-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104681937 1094617240 /nfs/dbraw/zinc/61/72/40/1094617240.db2.gz TZMWJRBTOKYKOQ-GUDVDZBRSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]C/C=C\Cl ZINC001104683142 1094629988 /nfs/dbraw/zinc/62/99/88/1094629988.db2.gz GLLRAXBSBSMIBL-ATEGUMQPSA-N 1 3 341.927 2.545 20 0 EFADHO C[C@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682995 1094630297 /nfs/dbraw/zinc/63/02/97/1094630297.db2.gz FHNOUUXNIIESOR-IXDOHACOSA-N 1 3 341.515 2.541 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1)N(C)C ZINC001104690267 1094641548 /nfs/dbraw/zinc/64/15/48/1094641548.db2.gz BIIHARPWVCYLND-ZACQAIPSSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529776 1094759859 /nfs/dbraw/zinc/75/98/59/1094759859.db2.gz OPYMPBGPHYNZEK-ZJOUEHCJSA-N 1 3 349.563 2.983 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529931 1094765976 /nfs/dbraw/zinc/76/59/76/1094765976.db2.gz VXNLTMYNUSYXCL-FPJAKCJMSA-N 1 3 347.547 2.903 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001481120878 1094783205 /nfs/dbraw/zinc/78/32/05/1094783205.db2.gz NFTGWPRTQRTQOV-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001481120878 1094783213 /nfs/dbraw/zinc/78/32/13/1094783213.db2.gz NFTGWPRTQRTQOV-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001211691025 1094786376 /nfs/dbraw/zinc/78/63/76/1094786376.db2.gz QRUUHNJOPGKNKB-JQJPNHIOSA-N 1 3 349.906 2.665 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001480951430 1094800127 /nfs/dbraw/zinc/80/01/27/1094800127.db2.gz ARVCPEWSOIDLRT-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001480951430 1094800149 /nfs/dbraw/zinc/80/01/49/1094800149.db2.gz ARVCPEWSOIDLRT-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087428282 1094932747 /nfs/dbraw/zinc/93/27/47/1094932747.db2.gz WMNIXVBJMMVAIZ-VBSBHUPXSA-N 1 3 343.515 2.709 20 0 EFADHO CC(C)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087428282 1094932759 /nfs/dbraw/zinc/93/27/59/1094932759.db2.gz WMNIXVBJMMVAIZ-VBSBHUPXSA-N 1 3 343.515 2.709 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481503970 1094972853 /nfs/dbraw/zinc/97/28/53/1094972853.db2.gz JXXLRKQOIWJIQZ-QZTJIDSGSA-N 1 3 325.541 2.789 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481503970 1094972860 /nfs/dbraw/zinc/97/28/60/1094972860.db2.gz JXXLRKQOIWJIQZ-QZTJIDSGSA-N 1 3 325.541 2.789 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CC(F)(F)C1 ZINC001481155395 1095027527 /nfs/dbraw/zinc/02/75/27/1095027527.db2.gz YNZKWKBNXAMUSU-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)CC1CC(F)(F)C1 ZINC001481155395 1095027541 /nfs/dbraw/zinc/02/75/41/1095027541.db2.gz YNZKWKBNXAMUSU-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001167815297 1095100322 /nfs/dbraw/zinc/10/03/22/1095100322.db2.gz PRZVCPLVYAKOCX-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531682 1095100820 /nfs/dbraw/zinc/10/08/20/1095100820.db2.gz LFKPORSCOSJZBO-PXNSSMCTSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001167815394 1095102324 /nfs/dbraw/zinc/10/23/24/1095102324.db2.gz SZEBZPULGUBJOE-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001167815817 1095104079 /nfs/dbraw/zinc/10/40/79/1095104079.db2.gz ZZLPLXHLSDTVAL-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001167815653 1095104244 /nfs/dbraw/zinc/10/42/44/1095104244.db2.gz XACZWKHXBZINMG-IBGZPJMESA-N 1 3 343.515 2.892 20 0 EFADHO CCc1ccc(C[N@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)cc1 ZINC001481186550 1095188352 /nfs/dbraw/zinc/18/83/52/1095188352.db2.gz UQWSRQFDFVSOHB-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)cc1 ZINC001481186550 1095188359 /nfs/dbraw/zinc/18/83/59/1095188359.db2.gz UQWSRQFDFVSOHB-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001481539362 1095200007 /nfs/dbraw/zinc/20/00/07/1095200007.db2.gz DDVNPVXAKHZXBV-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001167827212 1095224819 /nfs/dbraw/zinc/22/48/19/1095224819.db2.gz UVBFFRJIEQGIMK-GOSISDBHSA-N 1 3 333.524 2.726 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccnc(OC)c2)CC1 ZINC001167834445 1095294390 /nfs/dbraw/zinc/29/43/90/1095294390.db2.gz KDLKRXMBFDDSHE-KRWDZBQOSA-N 1 3 334.508 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCC3)[C@H]2C1(C)C ZINC001087316225 1095296256 /nfs/dbraw/zinc/29/62/56/1095296256.db2.gz PBOYIELQVKNSNJ-ATZDWAIDSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCC3)[C@H]2C1(C)C ZINC001087316225 1095296270 /nfs/dbraw/zinc/29/62/70/1095296270.db2.gz PBOYIELQVKNSNJ-ATZDWAIDSA-N 1 3 344.503 2.666 20 0 EFADHO CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@H]21 ZINC001087318536 1095329906 /nfs/dbraw/zinc/32/99/06/1095329906.db2.gz ZCDJQUXMUWVOPV-QRVBRYPASA-N 1 3 343.515 2.987 20 0 EFADHO CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@H]21 ZINC001087318536 1095329922 /nfs/dbraw/zinc/32/99/22/1095329922.db2.gz ZCDJQUXMUWVOPV-QRVBRYPASA-N 1 3 343.515 2.987 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1OCc1ccc(NCCN2CCSCC2)cc1 ZINC001167839672 1095345929 /nfs/dbraw/zinc/34/59/29/1095345929.db2.gz QVUDOLNSXXLKTD-RTBURBONSA-N 1 3 349.544 2.934 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001100769372 1095594158 /nfs/dbraw/zinc/59/41/58/1095594158.db2.gz HDNXODNWSQLMRS-UHFFFAOYSA-N 1 3 337.895 2.666 20 0 EFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001087435892 1095697786 /nfs/dbraw/zinc/69/77/86/1095697786.db2.gz MCSUIBRUTVIRLG-IJXRJRJASA-N 1 3 343.515 2.711 20 0 EFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001087435892 1095697790 /nfs/dbraw/zinc/69/77/90/1095697790.db2.gz MCSUIBRUTVIRLG-IJXRJRJASA-N 1 3 343.515 2.711 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](C)c1cccc(F)c1 ZINC001480997698 1095715197 /nfs/dbraw/zinc/71/51/97/1095715197.db2.gz AJKKABNFEJLRMQ-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955685 1095753398 /nfs/dbraw/zinc/75/33/98/1095753398.db2.gz STCFSSODPIOQKG-MJGOQNOKSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955685 1095753410 /nfs/dbraw/zinc/75/34/10/1095753410.db2.gz STCFSSODPIOQKG-MJGOQNOKSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000981957616 1095774095 /nfs/dbraw/zinc/77/40/95/1095774095.db2.gz NODSUPREDAQGAD-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000981957616 1095774106 /nfs/dbraw/zinc/77/41/06/1095774106.db2.gz NODSUPREDAQGAD-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)CC[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957096 1095776702 /nfs/dbraw/zinc/77/67/02/1095776702.db2.gz DFGPAHLCWFBRSD-IBGZPJMESA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)CC[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957096 1095776718 /nfs/dbraw/zinc/77/67/18/1095776718.db2.gz DFGPAHLCWFBRSD-IBGZPJMESA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964109 1095846706 /nfs/dbraw/zinc/84/67/06/1095846706.db2.gz WRRDAQOIJKKOCV-QGZVFWFLSA-N 1 3 349.494 2.687 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c(C)s1 ZINC001481054804 1096186706 /nfs/dbraw/zinc/18/67/06/1096186706.db2.gz TYEFYSUXPPTUJE-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CCC/C=C/CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900530 1096330993 /nfs/dbraw/zinc/33/09/93/1096330993.db2.gz KRTLGTUUEFBJPX-AATRIKPKSA-N 1 3 332.492 2.883 20 0 EFADHO C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603656757 1096579461 /nfs/dbraw/zinc/57/94/61/1096579461.db2.gz JACFYHWPFPSHMP-LBPRGKRZSA-N 1 3 344.438 2.531 20 0 EFADHO C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603663164 1096582864 /nfs/dbraw/zinc/58/28/64/1096582864.db2.gz WHKUBNNWVONOPT-HNNXBMFYSA-N 1 3 328.464 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001211729610 1096608164 /nfs/dbraw/zinc/60/81/64/1096608164.db2.gz FECLCCCBZXUBTO-INHTXZAOSA-N 1 3 349.906 2.663 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730347 1096608858 /nfs/dbraw/zinc/60/88/58/1096608858.db2.gz YBYFXFUTCAGFSL-RBUKOAKNSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730084 1096608908 /nfs/dbraw/zinc/60/89/08/1096608908.db2.gz NLHQIPDYZPZBKP-VQTJNVASSA-N 1 3 345.531 2.957 20 0 EFADHO CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481782364 1096695468 /nfs/dbraw/zinc/69/54/68/1096695468.db2.gz OZKCKULDQJVPAN-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001481818133 1096733830 /nfs/dbraw/zinc/73/38/30/1096733830.db2.gz FWIXMYCHEKTTNM-GFCCVEGCSA-N 1 3 343.924 2.870 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001481812049 1096737753 /nfs/dbraw/zinc/73/77/53/1096737753.db2.gz FYMLVGLIYFXXKK-CYBMUJFWSA-N 1 3 337.430 2.688 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001481812050 1096737841 /nfs/dbraw/zinc/73/78/41/1096737841.db2.gz FYMLVGLIYFXXKK-ZDUSSCGKSA-N 1 3 337.430 2.688 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001481820509 1096744859 /nfs/dbraw/zinc/74/48/59/1096744859.db2.gz NTVPMUREQVLGAL-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccc(C[NH2+]CC2(NC(=O)CN(C)C3CCC3)CCCC2)cc1 ZINC001481898101 1096888922 /nfs/dbraw/zinc/88/89/22/1096888922.db2.gz RTLSCGJUEKTMHR-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO CN(CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001481929528 1096947622 /nfs/dbraw/zinc/94/76/22/1096947622.db2.gz BLCPMHDZWLWYAR-HXUWFJFHSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001481942465 1096975625 /nfs/dbraw/zinc/97/56/25/1096975625.db2.gz MUCYMTLSOYLBSM-ICSRJNTNSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001482016100 1097088596 /nfs/dbraw/zinc/08/85/96/1097088596.db2.gz SQJSRVAMJOZEHV-FNIPSONOSA-N 1 3 327.900 2.629 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001482058072 1097197639 /nfs/dbraw/zinc/19/76/39/1097197639.db2.gz GDDTWOGYOBGFQR-KSZLIROESA-N 1 3 325.541 2.835 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001482108802 1097269344 /nfs/dbraw/zinc/26/93/44/1097269344.db2.gz XDMIVPXEHYIVPI-AUUYWEPGSA-N 1 3 347.478 2.639 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001482143056 1097393363 /nfs/dbraw/zinc/39/33/63/1097393363.db2.gz MTQSVPYKICKHTE-QGZVFWFLSA-N 1 3 333.520 2.815 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccccc1Cl ZINC001482141153 1097395607 /nfs/dbraw/zinc/39/56/07/1097395607.db2.gz AXGPJQZWVXYMQV-LSDHHAIUSA-N 1 3 337.895 2.524 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCC=C(Cl)Cl)CCCC2)CC[N@@H+]1C ZINC001482219201 1098144086 /nfs/dbraw/zinc/14/40/86/1098144086.db2.gz FYBSNAHBVOOEFA-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCC=C(Cl)Cl)CCCC2)CC[N@H+]1C ZINC001482219201 1098144088 /nfs/dbraw/zinc/14/40/88/1098144088.db2.gz FYBSNAHBVOOEFA-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001609215140 1098207174 /nfs/dbraw/zinc/20/71/74/1098207174.db2.gz SJUKJJCUNHBYPL-SFHVURJKSA-N 1 3 340.475 2.566 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001609215140 1098207178 /nfs/dbraw/zinc/20/71/78/1098207178.db2.gz SJUKJJCUNHBYPL-SFHVURJKSA-N 1 3 340.475 2.566 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1 ZINC001104809364 1098635931 /nfs/dbraw/zinc/63/59/31/1098635931.db2.gz GSYVRTYKHCQTTH-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001104809360 1098636226 /nfs/dbraw/zinc/63/62/26/1098636226.db2.gz GQTDTKLLMJBURN-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832755 1098712414 /nfs/dbraw/zinc/71/24/14/1098712414.db2.gz RSAREIUBIYCCQO-FGTMMUONSA-N 1 3 341.515 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104832798 1098713069 /nfs/dbraw/zinc/71/30/69/1098713069.db2.gz UJUJJBIMRCCZEX-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cncc(OCCN2CCCC2)n1 ZINC001167751088 1098798744 /nfs/dbraw/zinc/79/87/44/1098798744.db2.gz HNQAINJRFLNFSQ-QGZVFWFLSA-N 1 3 347.507 2.628 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNc1cncc(OCCN2CCCC2)n1 ZINC001167751088 1098798756 /nfs/dbraw/zinc/79/87/56/1098798756.db2.gz HNQAINJRFLNFSQ-QGZVFWFLSA-N 1 3 347.507 2.628 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001104937789 1099090267 /nfs/dbraw/zinc/09/02/67/1099090267.db2.gz HQADOUZWYFZSNN-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001482293441 1099157996 /nfs/dbraw/zinc/15/79/96/1099157996.db2.gz VVKMVEGLWFONNJ-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211661506 1099205368 /nfs/dbraw/zinc/20/53/68/1099205368.db2.gz BBSPYAOYXJREAZ-CEXWTWQISA-N 1 3 349.494 2.661 20 0 EFADHO C[C@@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001481319715 1099277367 /nfs/dbraw/zinc/27/73/67/1099277367.db2.gz KWZAMHNGHQHVPQ-MRXNPFEDSA-N 1 3 335.467 2.811 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683968 1099278909 /nfs/dbraw/zinc/27/89/09/1099278909.db2.gz QVTLOJJNRKUXNH-QZTJIDSGSA-N 1 3 337.508 2.994 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683968 1099278916 /nfs/dbraw/zinc/27/89/16/1099278916.db2.gz QVTLOJJNRKUXNH-QZTJIDSGSA-N 1 3 337.508 2.994 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001211666674 1099364036 /nfs/dbraw/zinc/36/40/36/1099364036.db2.gz ICVMENFYMZUEGI-XUVXKRRUSA-N 1 3 345.531 2.957 20 0 EFADHO C[C@@H](NC[C@@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001482322501 1099498307 /nfs/dbraw/zinc/49/83/07/1099498307.db2.gz FVKRAVMFXIPJHR-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CCC[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105059284 1099507442 /nfs/dbraw/zinc/50/74/42/1099507442.db2.gz UYIGPRYAUPBSSD-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001105064590 1099526338 /nfs/dbraw/zinc/52/63/38/1099526338.db2.gz YLBLOQFWTCUBAN-UYAOXDASSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001105067218 1099541371 /nfs/dbraw/zinc/54/13/71/1099541371.db2.gz SENJIMOZIIHIBR-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172835 1099627008 /nfs/dbraw/zinc/62/70/08/1099627008.db2.gz HKJKRTQJQJZILZ-QGZVFWFLSA-N 1 3 333.520 2.799 20 0 EFADHO CCO[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)[C@@H]2CCCO[C@H]12 ZINC001167988807 1099651415 /nfs/dbraw/zinc/65/14/15/1099651415.db2.gz SKKACRYLRPWFJQ-QZEPKESBSA-N 1 3 334.504 2.660 20 0 EFADHO CCO[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)[C@@H]2CCCO[C@H]12 ZINC001167988807 1099651424 /nfs/dbraw/zinc/65/14/24/1099651424.db2.gz SKKACRYLRPWFJQ-QZEPKESBSA-N 1 3 334.504 2.660 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001482336032 1099664224 /nfs/dbraw/zinc/66/42/24/1099664224.db2.gz SBFJRMXTQHHIPE-HNNXBMFYSA-N 1 3 328.460 2.541 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1)N(C)C ZINC001211674670 1099750986 /nfs/dbraw/zinc/75/09/86/1099750986.db2.gz GCDGITKTKBFFHY-ZCNNSNEGSA-N 1 3 343.515 2.877 20 0 EFADHO O=C([C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)N1CCCC1 ZINC001167996233 1099781099 /nfs/dbraw/zinc/78/10/99/1099781099.db2.gz ZWKRRBRZDQMUNT-WRURNZQNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)N1CCCC1 ZINC001167996233 1099781108 /nfs/dbraw/zinc/78/11/08/1099781108.db2.gz ZWKRRBRZDQMUNT-WRURNZQNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1)N1CCCC1 ZINC001167996233 1099781121 /nfs/dbraw/zinc/78/11/21/1099781121.db2.gz ZWKRRBRZDQMUNT-WRURNZQNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1)N1CCCC1 ZINC001167996233 1099781129 /nfs/dbraw/zinc/78/11/29/1099781129.db2.gz ZWKRRBRZDQMUNT-WRURNZQNSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001087523287 1100164073 /nfs/dbraw/zinc/16/40/73/1100164073.db2.gz PXIPQEFUGHNWNF-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1cccc(Cl)c1 ZINC001087523287 1100164080 /nfs/dbraw/zinc/16/40/80/1100164080.db2.gz PXIPQEFUGHNWNF-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001482433379 1100193386 /nfs/dbraw/zinc/19/33/86/1100193386.db2.gz KNKBPWIXAFCLIT-AZUAARDMSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1cccnc1 ZINC001087642266 1100620812 /nfs/dbraw/zinc/62/08/12/1100620812.db2.gz DYVKRJHNHHITOG-RBUKOAKNSA-N 1 3 349.438 2.512 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1cccnc1 ZINC001087642266 1100620815 /nfs/dbraw/zinc/62/08/15/1100620815.db2.gz DYVKRJHNHHITOG-RBUKOAKNSA-N 1 3 349.438 2.512 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723727 1100700494 /nfs/dbraw/zinc/70/04/94/1100700494.db2.gz AOTMSRAIEPOTLO-FCEWJHQRSA-N 1 3 341.515 2.968 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723727 1100700497 /nfs/dbraw/zinc/70/04/97/1100700497.db2.gz AOTMSRAIEPOTLO-FCEWJHQRSA-N 1 3 341.515 2.968 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC(C)C ZINC001087724025 1100701655 /nfs/dbraw/zinc/70/16/55/1100701655.db2.gz RPLKJEBWVQQJRW-FRQCXROJSA-N 1 3 341.515 2.824 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC(C)C ZINC001087724025 1100701658 /nfs/dbraw/zinc/70/16/58/1100701658.db2.gz RPLKJEBWVQQJRW-FRQCXROJSA-N 1 3 341.515 2.824 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccsc1 ZINC001087796896 1100780357 /nfs/dbraw/zinc/78/03/57/1100780357.db2.gz QFBOSIPHGUFGRN-BHYGNILZSA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccsc1 ZINC001087796896 1100780365 /nfs/dbraw/zinc/78/03/65/1100780365.db2.gz QFBOSIPHGUFGRN-BHYGNILZSA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC1CC1 ZINC001087839780 1100854113 /nfs/dbraw/zinc/85/41/13/1100854113.db2.gz UAKKTTKWJLYOPY-RBUKOAKNSA-N 1 3 329.488 2.741 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC1CC1 ZINC001087839780 1100854120 /nfs/dbraw/zinc/85/41/20/1100854120.db2.gz UAKKTTKWJLYOPY-RBUKOAKNSA-N 1 3 329.488 2.741 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364404 1101019015 /nfs/dbraw/zinc/01/90/15/1101019015.db2.gz RXLSGGBJXRTWFI-NSHGMRRFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364404 1101019022 /nfs/dbraw/zinc/01/90/22/1101019022.db2.gz RXLSGGBJXRTWFI-NSHGMRRFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001203443629 1101031996 /nfs/dbraw/zinc/03/19/96/1101031996.db2.gz XSNRNPMLHDSXCT-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1C[C@@H](N2CCOC[C@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039445 1101086482 /nfs/dbraw/zinc/08/64/82/1101086482.db2.gz DVIPSMGVGMKIOE-PIKOESSRSA-N 1 3 332.488 2.511 20 0 EFADHO C[C@@H]1C[C@@H](N2CCOC[C@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039445 1101086488 /nfs/dbraw/zinc/08/64/88/1101086488.db2.gz DVIPSMGVGMKIOE-PIKOESSRSA-N 1 3 332.488 2.511 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CC1 ZINC001087993544 1101166581 /nfs/dbraw/zinc/16/65/81/1101166581.db2.gz SCUOVPYPAZPRKI-FGTMMUONSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CC1 ZINC001087993544 1101166589 /nfs/dbraw/zinc/16/65/89/1101166589.db2.gz SCUOVPYPAZPRKI-FGTMMUONSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993199 1101167356 /nfs/dbraw/zinc/16/73/56/1101167356.db2.gz DWSOWWVVKOHNDH-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993199 1101167358 /nfs/dbraw/zinc/16/73/58/1101167358.db2.gz DWSOWWVVKOHNDH-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994813 1101168376 /nfs/dbraw/zinc/16/83/76/1101168376.db2.gz DJILIDQUSRYZIK-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994813 1101168378 /nfs/dbraw/zinc/16/83/78/1101168378.db2.gz DJILIDQUSRYZIK-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994959 1101168401 /nfs/dbraw/zinc/16/84/01/1101168401.db2.gz LUVQHKSWMUMKMP-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994959 1101168404 /nfs/dbraw/zinc/16/84/04/1101168404.db2.gz LUVQHKSWMUMKMP-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994776 1101169328 /nfs/dbraw/zinc/16/93/28/1101169328.db2.gz BBNAZRGIWYYLMU-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087994776 1101169331 /nfs/dbraw/zinc/16/93/31/1101169331.db2.gz BBNAZRGIWYYLMU-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001075344725 1101370257 /nfs/dbraw/zinc/37/02/57/1101370257.db2.gz RPIOZYVTBNBSAF-QUCCMNQESA-N 1 3 349.563 2.983 20 0 EFADHO Cc1cccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1C ZINC000066994829 1101479502 /nfs/dbraw/zinc/47/95/02/1101479502.db2.gz MBEXKFAHTBRVDS-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC000067671469 1101551641 /nfs/dbraw/zinc/55/16/41/1101551641.db2.gz OOFDSSFRKGIQDX-QGZVFWFLSA-N 1 3 349.519 2.598 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(OC)ccc3ccccc32)CC1 ZINC000067671663 1101552063 /nfs/dbraw/zinc/55/20/63/1101552063.db2.gz JQGFNYHMZUYKSD-QGZVFWFLSA-N 1 3 341.499 2.964 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1 ZINC001088106246 1101555572 /nfs/dbraw/zinc/55/55/72/1101555572.db2.gz RVJMIEMSWNRUJR-UHOSZYNNSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1 ZINC001088106246 1101555577 /nfs/dbraw/zinc/55/55/77/1101555577.db2.gz RVJMIEMSWNRUJR-UHOSZYNNSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@@H]3C2)C1 ZINC001088107418 1101564203 /nfs/dbraw/zinc/56/42/03/1101564203.db2.gz WKLRROKBCCUYFZ-GMNCBBECSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@@H]3C2)C1 ZINC001088107418 1101564213 /nfs/dbraw/zinc/56/42/13/1101564213.db2.gz WKLRROKBCCUYFZ-GMNCBBECSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001087134776 1101609608 /nfs/dbraw/zinc/60/96/08/1101609608.db2.gz GKFHHNVMRMCLPD-AYOQOUSVSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001087134718 1101609836 /nfs/dbraw/zinc/60/98/36/1101609836.db2.gz CSCZPDPDMMVZTM-FHLIZLRMSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC(=O)N(C)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168055974 1101654885 /nfs/dbraw/zinc/65/48/85/1101654885.db2.gz ZGYDMHFJPCBPGE-IZZQQSIFSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC(=O)N(C)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168055974 1101654892 /nfs/dbraw/zinc/65/48/92/1101654892.db2.gz ZGYDMHFJPCBPGE-IZZQQSIFSA-N 1 3 329.488 2.592 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056839 1101689739 /nfs/dbraw/zinc/68/97/39/1101689739.db2.gz JDVGPMZYRDRUGP-ABSDTBQOSA-N 1 3 343.515 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C[NH2+]CC1CC1 ZINC001075366285 1101973236 /nfs/dbraw/zinc/97/32/36/1101973236.db2.gz BQFGSEYOKMZIIT-AEFFLSMTSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075366286 1101973699 /nfs/dbraw/zinc/97/36/99/1101973699.db2.gz BQFGSEYOKMZIIT-FUHWJXTLSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCC(=O)N(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065936 1102059679 /nfs/dbraw/zinc/05/96/79/1102059679.db2.gz ZGVPXFBTVGVIGZ-IZZQQSIFSA-N 1 3 331.504 2.838 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCC(=O)N(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065936 1102059693 /nfs/dbraw/zinc/05/96/93/1102059693.db2.gz ZGVPXFBTVGVIGZ-IZZQQSIFSA-N 1 3 331.504 2.838 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167224121 1102079315 /nfs/dbraw/zinc/07/93/15/1102079315.db2.gz DVPCUMKXFCPCJX-KRWDZBQOSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001167224903 1102081063 /nfs/dbraw/zinc/08/10/63/1102081063.db2.gz MNOJTFFBPYPOEV-QGZVFWFLSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCc2ccccc2)CC1 ZINC001167224264 1102081557 /nfs/dbraw/zinc/08/15/57/1102081557.db2.gz INKCRVWFPBXZIH-SFHVURJKSA-N 1 3 343.515 2.590 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271537976 1102082454 /nfs/dbraw/zinc/08/24/54/1102082454.db2.gz OJQJTBAWLXAMQQ-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001271537976 1102082468 /nfs/dbraw/zinc/08/24/68/1102082468.db2.gz OJQJTBAWLXAMQQ-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001271537785 1102083079 /nfs/dbraw/zinc/08/30/79/1102083079.db2.gz KAXPRJPLMHKKQJ-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001271537785 1102083093 /nfs/dbraw/zinc/08/30/93/1102083093.db2.gz KAXPRJPLMHKKQJ-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCC/C=C/CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232983 1102100668 /nfs/dbraw/zinc/10/06/68/1102100668.db2.gz XDQUBRBAAYJCPO-QWNKOJSDSA-N 1 3 335.536 2.951 20 0 EFADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240148 1102123300 /nfs/dbraw/zinc/12/33/00/1102123300.db2.gz CRZHNIRKITZGIF-HNNXBMFYSA-N 1 3 329.504 2.589 20 0 EFADHO CC(C)CC[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240161 1102125259 /nfs/dbraw/zinc/12/52/59/1102125259.db2.gz DDQDXAVFNXVEIM-UHFFFAOYSA-N 1 3 325.541 2.887 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001167257852 1102159871 /nfs/dbraw/zinc/15/98/71/1102159871.db2.gz LIHMKCTZSBBZOP-KRWDZBQOSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001167261144 1102187423 /nfs/dbraw/zinc/18/74/23/1102187423.db2.gz XMZPJUHUGRFFAM-SJORKVTESA-N 1 3 325.541 2.885 20 0 EFADHO CCc1ccccc1C[NH2+]CC1(CCNC(=O)CN(CC)CC)CC1 ZINC001167480558 1102297908 /nfs/dbraw/zinc/29/79/08/1102297908.db2.gz LBACLKDJHAWJLV-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001167480622 1102299959 /nfs/dbraw/zinc/29/99/59/1102299959.db2.gz NTBDBRXMVRZZSU-KRWDZBQOSA-N 1 3 331.504 2.966 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001167480441 1102301098 /nfs/dbraw/zinc/30/10/98/1102301098.db2.gz FSSOQVGJLRTFDF-KURKYZTESA-N 1 3 335.536 2.641 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087165595 1102365589 /nfs/dbraw/zinc/36/55/89/1102365589.db2.gz DAOJIJRMDUSARI-NEWSRXKRSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001087181400 1102709570 /nfs/dbraw/zinc/70/95/70/1102709570.db2.gz PREIAFZQKZTJRV-BPQIPLTHSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480883628 1102722218 /nfs/dbraw/zinc/72/22/18/1102722218.db2.gz IPWBCQXNRZUOCW-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001480883628 1102722227 /nfs/dbraw/zinc/72/22/27/1102722227.db2.gz IPWBCQXNRZUOCW-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905660 1102777858 /nfs/dbraw/zinc/77/78/58/1102777858.db2.gz XNDLDIHEPUZGHM-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC000970800740 1102784729 /nfs/dbraw/zinc/78/47/29/1102784729.db2.gz RXEHOFPEPHDAMC-MOPGFXCFSA-N 1 3 347.478 2.721 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291309 1102854710 /nfs/dbraw/zinc/85/47/10/1102854710.db2.gz LPMXJOJQYUFZRG-YXYHDZAOSA-N 1 3 335.536 2.757 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291307 1102855425 /nfs/dbraw/zinc/85/54/25/1102855425.db2.gz LPMXJOJQYUFZRG-GVOLGWMDSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291598 1102857018 /nfs/dbraw/zinc/85/70/18/1102857018.db2.gz PNFFBLTXWKKHAM-BHIYHBOVSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104292026 1102859890 /nfs/dbraw/zinc/85/98/90/1102859890.db2.gz GMVXDCFHXVVCKM-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292414 1102863575 /nfs/dbraw/zinc/86/35/75/1102863575.db2.gz ZLIDBBLQMXLERW-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088326133 1102928431 /nfs/dbraw/zinc/92/84/31/1102928431.db2.gz IANCHYSQOXOIJD-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088326133 1102928438 /nfs/dbraw/zinc/92/84/38/1102928438.db2.gz IANCHYSQOXOIJD-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO c1csc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000076763574 1102939544 /nfs/dbraw/zinc/93/95/44/1102939544.db2.gz XBKFBXZAVJSRFJ-CQSZACIVSA-N 1 3 346.500 2.729 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001088331309 1102951812 /nfs/dbraw/zinc/95/18/12/1102951812.db2.gz WAUZYXYTORHWMV-MOPGFXCFSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001482536203 1102957724 /nfs/dbraw/zinc/95/77/24/1102957724.db2.gz NRUBOWARWCOXJS-ROUUACIJSA-N 1 3 337.483 2.642 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001088334334 1102984556 /nfs/dbraw/zinc/98/45/56/1102984556.db2.gz GAWUZBBNCGQVLX-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001088334552 1102989854 /nfs/dbraw/zinc/98/98/54/1102989854.db2.gz KVBRBGYAZSPAPV-RTBURBONSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001483260539 1103176878 /nfs/dbraw/zinc/17/68/78/1103176878.db2.gz KIVIISZJRMYKAU-UONOGXRCSA-N 1 3 337.895 2.837 20 0 EFADHO CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381915 1103338337 /nfs/dbraw/zinc/33/83/37/1103338337.db2.gz PUJZDVFOUNCJND-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cccnc2C)C1)N(C)C ZINC001088383800 1103363623 /nfs/dbraw/zinc/36/36/23/1103363623.db2.gz MYIJPZITVHJCLE-OALUTQOASA-N 1 3 346.519 2.591 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@H](NCCF)C2)cc1 ZINC001088399060 1103423921 /nfs/dbraw/zinc/42/39/21/1103423921.db2.gz AHJGZAUWFUIOEH-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](C3CCN(CC4CC4)CC3)CC[C@H]21 ZINC001168373818 1103429036 /nfs/dbraw/zinc/42/90/36/1103429036.db2.gz VHMRHSSTSIMBAE-SJLPKXTDSA-N 1 3 349.519 2.802 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](C3CCN(CC4CC4)CC3)CC[C@H]21 ZINC001168373818 1103429045 /nfs/dbraw/zinc/42/90/45/1103429045.db2.gz VHMRHSSTSIMBAE-SJLPKXTDSA-N 1 3 349.519 2.802 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001661832920 1103454451 /nfs/dbraw/zinc/45/44/51/1103454451.db2.gz RPSNGFFYCPATNA-DLBZAZTESA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101443720 1103496026 /nfs/dbraw/zinc/49/60/26/1103496026.db2.gz PPGCXELTJZJMTK-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001101443720 1103496034 /nfs/dbraw/zinc/49/60/34/1103496034.db2.gz PPGCXELTJZJMTK-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC001040398866 1103630339 /nfs/dbraw/zinc/63/03/39/1103630339.db2.gz KIUKPIYGUTVWII-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001040398866 1103630351 /nfs/dbraw/zinc/63/03/51/1103630351.db2.gz KIUKPIYGUTVWII-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001483410683 1103634253 /nfs/dbraw/zinc/63/42/53/1103634253.db2.gz ZNXFHJHQLDJEBG-GUYCJALGSA-N 1 3 339.549 2.888 20 0 EFADHO CN(CC[N@H+](C)CC/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001482585731 1103885385 /nfs/dbraw/zinc/88/53/85/1103885385.db2.gz ALDTXHAISSSQCC-DIBVOSKASA-N 1 3 329.488 2.574 20 0 EFADHO CN(CC[N@@H+](C)CC/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001482585731 1103885399 /nfs/dbraw/zinc/88/53/99/1103885399.db2.gz ALDTXHAISSSQCC-DIBVOSKASA-N 1 3 329.488 2.574 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000906085212 1103887468 /nfs/dbraw/zinc/88/74/68/1103887468.db2.gz JCECDVXBMDIWEQ-INIZCTEOSA-N 1 3 333.476 2.817 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000906085212 1103887483 /nfs/dbraw/zinc/88/74/83/1103887483.db2.gz JCECDVXBMDIWEQ-INIZCTEOSA-N 1 3 333.476 2.817 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@@](C[NH2+]CC(C)C)(c2ccccc2)C1)N(C)C ZINC001105428707 1103944859 /nfs/dbraw/zinc/94/48/59/1103944859.db2.gz AWJCKQNNZPENIC-SBHAEUEKSA-N 1 3 345.531 2.789 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CCCCCC2)C2CC2)CCC1 ZINC001483565087 1103958906 /nfs/dbraw/zinc/95/89/06/1103958906.db2.gz BAMGXOVSUKMDHO-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066757 1103965112 /nfs/dbraw/zinc/96/51/12/1103965112.db2.gz SBQMBIYWTQMFPK-SFHVURJKSA-N 1 3 347.503 2.552 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066757 1103965124 /nfs/dbraw/zinc/96/51/24/1103965124.db2.gz SBQMBIYWTQMFPK-SFHVURJKSA-N 1 3 347.503 2.552 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001105438470 1104098320 /nfs/dbraw/zinc/09/83/20/1104098320.db2.gz IROONZOBPZPHGE-HFSMHLIXSA-N 1 3 343.515 2.685 20 0 EFADHO c1csc(CN2C[C@H]3C[NH+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)c1 ZINC001168377313 1104102676 /nfs/dbraw/zinc/10/26/76/1104102676.db2.gz BYNOOGXJWKSOEJ-ROUUACIJSA-N 1 3 345.556 2.986 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168377972 1104113500 /nfs/dbraw/zinc/11/35/00/1104113500.db2.gz IPRBRPUDLRNHDP-WMZOPIPTSA-N 1 3 349.519 2.802 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168377970 1104113659 /nfs/dbraw/zinc/11/36/59/1104113659.db2.gz IPRBRPUDLRNHDP-SJLPKXTDSA-N 1 3 349.519 2.802 20 0 EFADHO C[C@@H]1C[N@@H+](C2CCN(CC3CC3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168388724 1104176827 /nfs/dbraw/zinc/17/68/27/1104176827.db2.gz HOOQUTYHAGMHNX-PBHICJAKSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1C[N@H+](C2CCN(CC3CC3)CC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001168388724 1104176834 /nfs/dbraw/zinc/17/68/34/1104176834.db2.gz HOOQUTYHAGMHNX-PBHICJAKSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)(C)CC(=O)NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395075 1104198170 /nfs/dbraw/zinc/19/81/70/1104198170.db2.gz KZPVYRPLAPCDGN-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001105447375 1104214320 /nfs/dbraw/zinc/21/43/20/1104214320.db2.gz DKAWCKBTMZYADM-YVHJFPRLSA-N 1 3 343.515 2.685 20 0 EFADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001101570937 1104329906 /nfs/dbraw/zinc/32/99/06/1104329906.db2.gz AIEJUBXADDEACI-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001409609383 1104495035 /nfs/dbraw/zinc/49/50/35/1104495035.db2.gz CTWFWRZEMLICQO-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001409609383 1104495042 /nfs/dbraw/zinc/49/50/42/1104495042.db2.gz CTWFWRZEMLICQO-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC001409638088 1104570764 /nfs/dbraw/zinc/57/07/64/1104570764.db2.gz CKEGDXSWHMCGRY-KRWDZBQOSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001409648900 1104596786 /nfs/dbraw/zinc/59/67/86/1104596786.db2.gz RDSFZWSYFCETDP-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001409648900 1104596795 /nfs/dbraw/zinc/59/67/95/1104596795.db2.gz RDSFZWSYFCETDP-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCc1ccc(C)cc1 ZINC001482652155 1104744982 /nfs/dbraw/zinc/74/49/82/1104744982.db2.gz RDDSQUPUXPSFGY-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCc1ccc(C)cc1 ZINC001482652155 1104744988 /nfs/dbraw/zinc/74/49/88/1104744988.db2.gz RDDSQUPUXPSFGY-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088605071 1104850620 /nfs/dbraw/zinc/85/06/20/1104850620.db2.gz FVKPZYFDCLSYSL-NZSAHSFTSA-N 1 3 333.520 2.940 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088605071 1104850625 /nfs/dbraw/zinc/85/06/25/1104850625.db2.gz FVKPZYFDCLSYSL-NZSAHSFTSA-N 1 3 333.520 2.940 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001482691735 1104936516 /nfs/dbraw/zinc/93/65/16/1104936516.db2.gz DPQPBNCYMDNJPN-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001482691735 1104936521 /nfs/dbraw/zinc/93/65/21/1104936521.db2.gz DPQPBNCYMDNJPN-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001482887653 1105137940 /nfs/dbraw/zinc/13/79/40/1105137940.db2.gz BVAWILZWHCLOJJ-CXAGYDPISA-N 1 3 339.549 2.936 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001482889466 1105148235 /nfs/dbraw/zinc/14/82/35/1105148235.db2.gz QSTPWYBPHGWFHY-QFBILLFUSA-N 1 3 331.504 2.890 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001482890617 1105149231 /nfs/dbraw/zinc/14/92/31/1105149231.db2.gz MLYHXBWUROZMQM-SJCJKPOMSA-N 1 3 344.434 2.572 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001482914904 1105177259 /nfs/dbraw/zinc/17/72/59/1105177259.db2.gz WSCAHYNZAWIZCP-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001030019278 1105212240 /nfs/dbraw/zinc/21/22/40/1105212240.db2.gz DDMXVRSCOZLYOG-NEWSRXKRSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)N(C)C ZINC001030019305 1105212638 /nfs/dbraw/zinc/21/26/38/1105212638.db2.gz KXLZGTWAVZIMGB-PMPSAXMXSA-N 1 3 345.478 2.589 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950571 1105247587 /nfs/dbraw/zinc/24/75/87/1105247587.db2.gz XFTKATHCQBVMDY-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950571 1105247591 /nfs/dbraw/zinc/24/75/91/1105247591.db2.gz XFTKATHCQBVMDY-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001668215144 1105259273 /nfs/dbraw/zinc/25/92/73/1105259273.db2.gz XAXRSKNXGNZEKT-LRDDRELGSA-N 1 3 343.874 2.804 20 0 EFADHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001668545774 1105317064 /nfs/dbraw/zinc/31/70/64/1105317064.db2.gz GNUAHURAMCKQSR-GOSISDBHSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988962990 1105397426 /nfs/dbraw/zinc/39/74/26/1105397426.db2.gz UGOOFSUHOPFDKV-AEFFLSMTSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988956010 1105399610 /nfs/dbraw/zinc/39/96/10/1105399610.db2.gz NOEWXTVKDZGOJP-HKUYNNGSSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000988956600 1105400445 /nfs/dbraw/zinc/40/04/45/1105400445.db2.gz SCWRUTGCGWRPDN-DOTOQJQBSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988957196 1105401208 /nfs/dbraw/zinc/40/12/08/1105401208.db2.gz DQRJLBHCUGJJNX-MAUKXSAKSA-N 1 3 347.478 2.719 20 0 EFADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001668976973 1105409503 /nfs/dbraw/zinc/40/95/03/1105409503.db2.gz DAMRVEJVDPLXLR-ZBADOCLRSA-N 1 3 341.499 2.810 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964828 1105409606 /nfs/dbraw/zinc/40/96/06/1105409606.db2.gz FMHYCLHQTNLMLL-QAPCUYQASA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988971116 1105413139 /nfs/dbraw/zinc/41/31/39/1105413139.db2.gz ZFVYLILTXGMBFW-RHSMWYFYSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088622242 1105526411 /nfs/dbraw/zinc/52/64/11/1105526411.db2.gz NCZJGEDHGANACT-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088622242 1105526416 /nfs/dbraw/zinc/52/64/16/1105526416.db2.gz NCZJGEDHGANACT-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)n1cc([C@@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000925299741 1105556524 /nfs/dbraw/zinc/55/65/24/1105556524.db2.gz FDTNKZZMHXLPPJ-OAHLLOKOSA-N 1 3 328.464 2.821 20 0 EFADHO Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)[C@H]2C)c1 ZINC001088666516 1105733093 /nfs/dbraw/zinc/73/30/93/1105733093.db2.gz JOHHZGOOBZXSBA-AYOQOUSVSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCN3C)[C@H]2C)c1 ZINC001088666516 1105733098 /nfs/dbraw/zinc/73/30/98/1105733098.db2.gz JOHHZGOOBZXSBA-AYOQOUSVSA-N 1 3 347.478 2.697 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000897570538 1105757474 /nfs/dbraw/zinc/75/74/74/1105757474.db2.gz VVFSOLIDMWGYIG-PKOBYXMFSA-N 1 3 347.503 2.677 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000989392099 1105847672 /nfs/dbraw/zinc/84/76/72/1105847672.db2.gz TZICQMWHJQHEIH-MAUKXSAKSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563046 1105942049 /nfs/dbraw/zinc/94/20/49/1105942049.db2.gz BNKAOSSANCKFBP-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCF)CCC1 ZINC001105563218 1105942688 /nfs/dbraw/zinc/94/26/88/1105942688.db2.gz HAJZMENMQMEKBH-IAGOWNOFSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574574 1105960501 /nfs/dbraw/zinc/96/05/01/1105960501.db2.gz BHHXQMLSSPKKFT-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105579950 1105974821 /nfs/dbraw/zinc/97/48/21/1105974821.db2.gz ZWHZYFJPZMELCA-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000989449417 1106185626 /nfs/dbraw/zinc/18/56/26/1106185626.db2.gz HDQOQZFSMAQKAR-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451639 1106213194 /nfs/dbraw/zinc/21/31/94/1106213194.db2.gz UVNAUGJTNNRNPV-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451638 1106213264 /nfs/dbraw/zinc/21/32/64/1106213264.db2.gz UVNAUGJTNNRNPV-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989483936 1106360555 /nfs/dbraw/zinc/36/05/55/1106360555.db2.gz ZDZSCQMGNYIIOY-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989483936 1106360559 /nfs/dbraw/zinc/36/05/59/1106360559.db2.gz ZDZSCQMGNYIIOY-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490770 1106364467 /nfs/dbraw/zinc/36/44/67/1106364467.db2.gz AGEBTEPEPSTDAH-PBHICJAKSA-N 1 3 332.492 2.748 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491406 1106365706 /nfs/dbraw/zinc/36/57/06/1106365706.db2.gz GHWPERCTNAULSO-PBHICJAKSA-N 1 3 330.476 2.502 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989524866 1106402485 /nfs/dbraw/zinc/40/24/85/1106402485.db2.gz ZJVOWFQLMSBJMK-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604869 1106480671 /nfs/dbraw/zinc/48/06/71/1106480671.db2.gz GCBUDXKZVGZDEL-WMZOPIPTSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605113 1106481215 /nfs/dbraw/zinc/48/12/15/1106481215.db2.gz ILIQDQZOQQMFCM-SJORKVTESA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989663024 1106524324 /nfs/dbraw/zinc/52/43/24/1106524324.db2.gz ZAVBDVZCVDGHEW-MSOLQXFVSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989663024 1106524328 /nfs/dbraw/zinc/52/43/28/1106524328.db2.gz ZAVBDVZCVDGHEW-MSOLQXFVSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989665438 1106526406 /nfs/dbraw/zinc/52/64/06/1106526406.db2.gz FIKUTTQGEDCNNC-IEBWSBKVSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989665438 1106526411 /nfs/dbraw/zinc/52/64/11/1106526411.db2.gz FIKUTTQGEDCNNC-IEBWSBKVSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989665439 1106526587 /nfs/dbraw/zinc/52/65/87/1106526587.db2.gz FIKUTTQGEDCNNC-MJGOQNOKSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989665439 1106526589 /nfs/dbraw/zinc/52/65/89/1106526589.db2.gz FIKUTTQGEDCNNC-MJGOQNOKSA-N 1 3 329.488 2.542 20 0 EFADHO CC(C)c1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989666107 1106527743 /nfs/dbraw/zinc/52/77/43/1106527743.db2.gz UXDFECXLWMMIKK-IBGZPJMESA-N 1 3 343.515 2.796 20 0 EFADHO CC(C)c1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989666107 1106527747 /nfs/dbraw/zinc/52/77/47/1106527747.db2.gz UXDFECXLWMMIKK-IBGZPJMESA-N 1 3 343.515 2.796 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682230 1106543052 /nfs/dbraw/zinc/54/30/52/1106543052.db2.gz HWKIUEMMKYXELD-GOEBONIOSA-N 1 3 347.890 2.515 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000989735222 1106598680 /nfs/dbraw/zinc/59/86/80/1106598680.db2.gz UPTYHCVWKUYAQE-UHFFFAOYSA-N 1 3 343.515 2.905 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000989728660 1106601044 /nfs/dbraw/zinc/60/10/44/1106601044.db2.gz RFPVNKIGLWTBLX-KDURUIRLSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000989728660 1106601046 /nfs/dbraw/zinc/60/10/46/1106601046.db2.gz RFPVNKIGLWTBLX-KDURUIRLSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730018 1106603274 /nfs/dbraw/zinc/60/32/74/1106603274.db2.gz KCSGLZZBUJTSPW-INIZCTEOSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@H](F)CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730018 1106603275 /nfs/dbraw/zinc/60/32/75/1106603275.db2.gz KCSGLZZBUJTSPW-INIZCTEOSA-N 1 3 335.467 2.644 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737327 1106614535 /nfs/dbraw/zinc/61/45/35/1106614535.db2.gz NHGSHIBSSVZJCT-QGZVFWFLSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737327 1106614537 /nfs/dbraw/zinc/61/45/37/1106614537.db2.gz NHGSHIBSSVZJCT-QGZVFWFLSA-N 1 3 331.504 2.942 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000989796531 1106667511 /nfs/dbraw/zinc/66/75/11/1106667511.db2.gz NKNTXWSCQMFAPP-OALUTQOASA-N 1 3 343.515 2.787 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989798847 1106669952 /nfs/dbraw/zinc/66/99/52/1106669952.db2.gz GQUYQHZFNZJUPS-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000989798948 1106669994 /nfs/dbraw/zinc/66/99/94/1106669994.db2.gz HZFMSPPSANVFGK-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989799120 1106670271 /nfs/dbraw/zinc/67/02/71/1106670271.db2.gz JUZHNEYSFMSCHR-IEBWSBKVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCC1 ZINC001088860257 1106747177 /nfs/dbraw/zinc/74/71/77/1106747177.db2.gz CMGIHSVXEKTPHV-ALKREAHSSA-N 1 3 339.499 2.578 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCC1 ZINC001088860257 1106747188 /nfs/dbraw/zinc/74/71/88/1106747188.db2.gz CMGIHSVXEKTPHV-ALKREAHSSA-N 1 3 339.499 2.578 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)cs1 ZINC001088899275 1106957064 /nfs/dbraw/zinc/95/70/64/1106957064.db2.gz VROCKMLZXILCHK-QAPCUYQASA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1Cc1ccc(F)cc1 ZINC001088939374 1107064326 /nfs/dbraw/zinc/06/43/26/1107064326.db2.gz MMIQLMAVLBNPCS-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001168335256 1107158491 /nfs/dbraw/zinc/15/84/91/1107158491.db2.gz DVRMPTACBKMNCT-KRWDZBQOSA-N 1 3 349.544 2.999 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001168335261 1107158620 /nfs/dbraw/zinc/15/86/20/1107158620.db2.gz FEMGIMVGTWRLHC-DAWZGUTISA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088980642 1107194757 /nfs/dbraw/zinc/19/47/57/1107194757.db2.gz NQBMXYPTCBHAEX-MNEFBYGVSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088980642 1107194762 /nfs/dbraw/zinc/19/47/62/1107194762.db2.gz NQBMXYPTCBHAEX-MNEFBYGVSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1C ZINC001088980767 1107196699 /nfs/dbraw/zinc/19/66/99/1107196699.db2.gz QZJOQWBOUJEQMF-RLLQIKCJSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C ZINC001088980767 1107196704 /nfs/dbraw/zinc/19/67/04/1107196704.db2.gz QZJOQWBOUJEQMF-RLLQIKCJSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001088980791 1107197081 /nfs/dbraw/zinc/19/70/81/1107197081.db2.gz RUOMJJYRAYDTHD-VKLMWMRCSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001088980791 1107197091 /nfs/dbraw/zinc/19/70/91/1107197091.db2.gz RUOMJJYRAYDTHD-VKLMWMRCSA-N 1 3 341.499 2.621 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001088980704 1107197487 /nfs/dbraw/zinc/19/74/87/1107197487.db2.gz PFVMLHXASPNKTD-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001088980704 1107197497 /nfs/dbraw/zinc/19/74/97/1107197497.db2.gz PFVMLHXASPNKTD-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058840 1107373422 /nfs/dbraw/zinc/37/34/22/1107373422.db2.gz LOHUCNUFNXEIEB-APWZRJJASA-N 1 3 329.488 2.907 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058840 1107373432 /nfs/dbraw/zinc/37/34/32/1107373432.db2.gz LOHUCNUFNXEIEB-APWZRJJASA-N 1 3 329.488 2.907 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345270 1107381984 /nfs/dbraw/zinc/38/19/84/1107381984.db2.gz MRNXSGCSCQORFG-QGZVFWFLSA-N 1 3 325.541 2.885 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000990276384 1107588562 /nfs/dbraw/zinc/58/85/62/1107588562.db2.gz IJVSVUFVJOIJJH-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000990279024 1107590259 /nfs/dbraw/zinc/59/02/59/1107590259.db2.gz UJTBJFPIVLRDEQ-GOSISDBHSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000990279026 1107591440 /nfs/dbraw/zinc/59/14/40/1107591440.db2.gz UJTBJFPIVLRDEQ-SFHVURJKSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990276995 1107591594 /nfs/dbraw/zinc/59/15/94/1107591594.db2.gz MHSHPCRQCBMFPP-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990279114 1107591618 /nfs/dbraw/zinc/59/16/18/1107591618.db2.gz VMPQQIXZACSRLX-SFHVURJKSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000990277533 1107591860 /nfs/dbraw/zinc/59/18/60/1107591860.db2.gz PFGQJAKRVYJIGR-CQSZACIVSA-N 1 3 341.908 2.576 20 0 EFADHO CN(C[C@]1(C)CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317243 1107809636 /nfs/dbraw/zinc/80/96/36/1107809636.db2.gz USVVXRCQQYVBGC-HXUWFJFHSA-N 1 3 329.488 2.613 20 0 EFADHO C[N@H+](C[C@]1(C)CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317243 1107809651 /nfs/dbraw/zinc/80/96/51/1107809651.db2.gz USVVXRCQQYVBGC-HXUWFJFHSA-N 1 3 329.488 2.613 20 0 EFADHO C[N@@H+](C[C@]1(C)CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317243 1107809665 /nfs/dbraw/zinc/80/96/65/1107809665.db2.gz USVVXRCQQYVBGC-HXUWFJFHSA-N 1 3 329.488 2.613 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099130836 1107908785 /nfs/dbraw/zinc/90/87/85/1107908785.db2.gz SWBONUJIKVWZMX-INIZCTEOSA-N 1 3 325.541 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001099130836 1107908792 /nfs/dbraw/zinc/90/87/92/1107908792.db2.gz SWBONUJIKVWZMX-INIZCTEOSA-N 1 3 325.541 2.980 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001483693877 1107941213 /nfs/dbraw/zinc/94/12/13/1107941213.db2.gz QKEPXHPFFVWUDN-MSOLQXFVSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001483693877 1107941219 /nfs/dbraw/zinc/94/12/19/1107941219.db2.gz QKEPXHPFFVWUDN-MSOLQXFVSA-N 1 3 331.504 2.978 20 0 EFADHO CCOC(=O)c1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000904458055 1107954133 /nfs/dbraw/zinc/95/41/33/1107954133.db2.gz AMINWFWYKIJEAH-UHFFFAOYSA-N 1 3 342.439 2.949 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391118 1108055020 /nfs/dbraw/zinc/05/50/20/1108055020.db2.gz NWTQLGCQLRYODZ-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391118 1108055032 /nfs/dbraw/zinc/05/50/32/1108055032.db2.gz NWTQLGCQLRYODZ-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000904614695 1108064364 /nfs/dbraw/zinc/06/43/64/1108064364.db2.gz GNLFZHPZBFAMAA-CVEARBPZSA-N 1 3 348.491 2.621 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000904639229 1108076494 /nfs/dbraw/zinc/07/64/94/1108076494.db2.gz UDVUYHPESJHXKS-GOSISDBHSA-N 1 3 342.443 2.578 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2C[NH3+])CN1Cc1ccccc1 ZINC000904651681 1108087376 /nfs/dbraw/zinc/08/73/76/1108087376.db2.gz GMGLBRHGHQEQLF-CRAIPNDOSA-N 1 3 338.455 2.930 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000904666242 1108103921 /nfs/dbraw/zinc/10/39/21/1108103921.db2.gz SOCMKUHOSMEIRJ-UHFFFAOYSA-N 1 3 338.455 2.885 20 0 EFADHO Cc1ccc(CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(F)c1 ZINC001272398408 1108182781 /nfs/dbraw/zinc/18/27/81/1108182781.db2.gz QLEICHSNDKLXDO-HXUWFJFHSA-N 1 3 347.478 2.653 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415484 1108228651 /nfs/dbraw/zinc/22/86/51/1108228651.db2.gz PJLHEFQGHTVMCV-ICSRJNTNSA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415484 1108228661 /nfs/dbraw/zinc/22/86/61/1108228661.db2.gz PJLHEFQGHTVMCV-ICSRJNTNSA-N 1 3 335.536 2.855 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421707 1108250506 /nfs/dbraw/zinc/25/05/06/1108250506.db2.gz OWHUSQWAUBHHJU-OXQOHEQNSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421707 1108250514 /nfs/dbraw/zinc/25/05/14/1108250514.db2.gz OWHUSQWAUBHHJU-OXQOHEQNSA-N 1 3 329.488 2.584 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272420984 1108251334 /nfs/dbraw/zinc/25/13/34/1108251334.db2.gz GQDOXIBDYRPIKG-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccccc1C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272420984 1108251345 /nfs/dbraw/zinc/25/13/45/1108251345.db2.gz GQDOXIBDYRPIKG-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089258452 1108265579 /nfs/dbraw/zinc/26/55/79/1108265579.db2.gz ZBYOLKJBLCRSSY-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089258452 1108265589 /nfs/dbraw/zinc/26/55/89/1108265589.db2.gz ZBYOLKJBLCRSSY-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](CCNC[C@@H](O)CC1(O)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000905149243 1108461427 /nfs/dbraw/zinc/46/14/27/1108461427.db2.gz ZASHVYCIRYLRJG-QUCCMNQESA-N 1 3 348.531 2.933 20 0 EFADHO C[C@H](CCNC[C@@H](O)CC1(O)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905149243 1108461433 /nfs/dbraw/zinc/46/14/33/1108461433.db2.gz ZASHVYCIRYLRJG-QUCCMNQESA-N 1 3 348.531 2.933 20 0 EFADHO CN(CC(C)(C)C[NH2+]Cc1ccccc1F)C(=O)CN(C)C1CCC1 ZINC001409446644 1108511812 /nfs/dbraw/zinc/51/18/12/1108511812.db2.gz LMBKIOKEAIBQKA-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001409445384 1108519384 /nfs/dbraw/zinc/51/93/84/1108519384.db2.gz HIXNXPREWZDGHE-KXRAORRJSA-N 1 3 329.916 2.684 20 0 EFADHO CN(C)C[C@@H](NC(=O)CCSCCC[NH3+])c1ccc(Cl)cc1 ZINC001122033184 1108615237 /nfs/dbraw/zinc/61/52/37/1108615237.db2.gz QMXCADQDAUYDRC-OAHLLOKOSA-N 1 3 343.924 2.531 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1F ZINC001030020134 1108635046 /nfs/dbraw/zinc/63/50/46/1108635046.db2.gz ARVQTLHDVJWRHS-RLFYNMQTSA-N 1 3 333.451 2.562 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CC1 ZINC001483738122 1108685596 /nfs/dbraw/zinc/68/55/96/1108685596.db2.gz LLYUXAWLKLIXFH-IBGZPJMESA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001088769264 1108728764 /nfs/dbraw/zinc/72/87/64/1108728764.db2.gz ZXCYZMRNKOTKIL-MNEFBYGVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001088769264 1108728769 /nfs/dbraw/zinc/72/87/69/1108728769.db2.gz ZXCYZMRNKOTKIL-MNEFBYGVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CCCC1 ZINC001075333955 1108768962 /nfs/dbraw/zinc/76/89/62/1108768962.db2.gz ZTHGDDMQMCQCJH-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001075334699 1108779914 /nfs/dbraw/zinc/77/99/14/1108779914.db2.gz CEXSMCSEDWRYTC-RDJZCZTQSA-N 1 3 330.476 2.527 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001075335117 1108779943 /nfs/dbraw/zinc/77/99/43/1108779943.db2.gz IZOHAMMDONFTNU-AEFFLSMTSA-N 1 3 340.471 2.535 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cs1 ZINC001075334984 1108782011 /nfs/dbraw/zinc/78/20/11/1108782011.db2.gz HKMSTRUJHIQIQR-XJKSGUPXSA-N 1 3 346.500 2.597 20 0 EFADHO C[C@H](C[NH2+]C1CCN(OCc2ccccc2)CC1)CN1CCCC1 ZINC000924713555 1108830789 /nfs/dbraw/zinc/83/07/89/1108830789.db2.gz FSYZFFXLTZYIAG-GOSISDBHSA-N 1 3 331.504 2.904 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC001030021629 1108891918 /nfs/dbraw/zinc/89/19/18/1108891918.db2.gz IPEQFSMTGCGSIF-PMPSAXMXSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001030021635 1108892250 /nfs/dbraw/zinc/89/22/50/1108892250.db2.gz JAHRCPVRMWSNMU-SXLOBPIMSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001030021632 1108892276 /nfs/dbraw/zinc/89/22/76/1108892276.db2.gz IRDUGVFMJVPNNL-UHOSZYNNSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001030021691 1108892874 /nfs/dbraw/zinc/89/28/74/1108892874.db2.gz HZBOLXKQEFCDPD-JLSDUUJJSA-N 1 3 335.467 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088811347 1109071156 /nfs/dbraw/zinc/07/11/56/1109071156.db2.gz XWNCKXQZJNVPAN-RLLQIKCJSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088811347 1109071161 /nfs/dbraw/zinc/07/11/61/1109071161.db2.gz XWNCKXQZJNVPAN-RLLQIKCJSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001142590496 1109073425 /nfs/dbraw/zinc/07/34/25/1109073425.db2.gz BSDQMRSCSVQMPK-UHFFFAOYSA-N 1 3 337.895 2.543 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCN1CCCF ZINC001088812267 1109106244 /nfs/dbraw/zinc/10/62/44/1109106244.db2.gz VOCIYYWVCCQVKP-NJAFHUGGSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCN1CCCF ZINC001088812267 1109106246 /nfs/dbraw/zinc/10/62/46/1109106246.db2.gz VOCIYYWVCCQVKP-NJAFHUGGSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@@H+]1CCCF ZINC001088812267 1109106248 /nfs/dbraw/zinc/10/62/48/1109106248.db2.gz VOCIYYWVCCQVKP-NJAFHUGGSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@H+]1CCCF ZINC001088812267 1109106250 /nfs/dbraw/zinc/10/62/50/1109106250.db2.gz VOCIYYWVCCQVKP-NJAFHUGGSA-N 1 3 339.499 2.722 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(OCc3ccccc3)CC2)C1 ZINC000924752575 1109243282 /nfs/dbraw/zinc/24/32/82/1109243282.db2.gz OFKGTXSIWNNPBM-LJQANCHMSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1CN1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC001168365670 1109331596 /nfs/dbraw/zinc/33/15/96/1109331596.db2.gz CYDFNNIFFDSQRV-FQEVSTJZSA-N 1 3 343.515 2.734 20 0 EFADHO COc1ccccc1CN1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168365670 1109331598 /nfs/dbraw/zinc/33/15/98/1109331598.db2.gz CYDFNNIFFDSQRV-FQEVSTJZSA-N 1 3 343.515 2.734 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001483138960 1109622022 /nfs/dbraw/zinc/62/20/22/1109622022.db2.gz SRYPNIGELJGVQK-WBMJQRKESA-N 1 3 325.522 2.545 20 0 EFADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418945 1109821925 /nfs/dbraw/zinc/82/19/25/1109821925.db2.gz XQZAWZCMFTYBRW-RBUKOAKNSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001483164110 1109914234 /nfs/dbraw/zinc/91/42/34/1109914234.db2.gz VEJSLXZSGJGFTG-ATZDWAIDSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168366789 1109939749 /nfs/dbraw/zinc/93/97/49/1109939749.db2.gz ZYVYRXUEQLEHEA-RHSMWYFYSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(CF)cc1 ZINC001088835556 1110054150 /nfs/dbraw/zinc/05/41/50/1110054150.db2.gz CLHSUJRKRAVTSI-BEFAXECRSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106249139 1111220433 /nfs/dbraw/zinc/22/04/33/1111220433.db2.gz ANRWEPRTHXKMAC-NSISKUIASA-N 1 3 347.547 2.901 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1)N(C)C ZINC001106312746 1111399779 /nfs/dbraw/zinc/39/97/79/1111399779.db2.gz NCBKEKXAZYXVCW-BHIYHBOVSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001106340374 1111432997 /nfs/dbraw/zinc/43/29/97/1111432997.db2.gz UZVIJOUHTKJQPG-GDBMZVCRSA-N 1 3 337.533 2.663 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666834 1111708742 /nfs/dbraw/zinc/70/87/42/1111708742.db2.gz WZMSTRDIXWOVEI-YSNLUETFSA-N 1 3 335.536 2.759 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)c(C)c1 ZINC001272640198 1111804710 /nfs/dbraw/zinc/80/47/10/1111804710.db2.gz UGBDOEZIHZGFCS-WOJBJXKFSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)c(C)c1 ZINC001272640198 1111804712 /nfs/dbraw/zinc/80/47/12/1111804712.db2.gz UGBDOEZIHZGFCS-WOJBJXKFSA-N 1 3 343.515 2.739 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC001106778825 1111825826 /nfs/dbraw/zinc/82/58/26/1111825826.db2.gz STBWJUAMDJHYOY-IXDOHACOSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001106782963 1111828548 /nfs/dbraw/zinc/82/85/48/1111828548.db2.gz FHGHTZXIFLAPMA-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001106783675 1111829414 /nfs/dbraw/zinc/82/94/14/1111829414.db2.gz UREBEHWONDCUJC-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203521071 1111842671 /nfs/dbraw/zinc/84/26/71/1111842671.db2.gz IFBOOPKXDALKPA-IRXDYDNUSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106798787 1111849931 /nfs/dbraw/zinc/84/99/31/1111849931.db2.gz WAGAJFMDLUBQIX-UYAOXDASSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCCCCF ZINC001106798532 1111850331 /nfs/dbraw/zinc/85/03/31/1111850331.db2.gz JPZIIKLTNVDILL-QZTJIDSGSA-N 1 3 341.515 2.542 20 0 EFADHO CCC(CC)C[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001409897703 1111879251 /nfs/dbraw/zinc/87/92/51/1111879251.db2.gz CURINHHSMLERPX-OAHLLOKOSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001409897693 1111880228 /nfs/dbraw/zinc/88/02/28/1111880228.db2.gz CURINHHSMLERPX-HNNXBMFYSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC[N@@H+]1C ZINC001089390686 1112056629 /nfs/dbraw/zinc/05/66/29/1112056629.db2.gz HYWJQZVZEACXBH-MAADDNGKSA-N 1 3 341.927 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC[N@H+]1C ZINC001089390686 1112056633 /nfs/dbraw/zinc/05/66/33/1112056633.db2.gz HYWJQZVZEACXBH-MAADDNGKSA-N 1 3 341.927 2.686 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089400283 1112070064 /nfs/dbraw/zinc/07/00/64/1112070064.db2.gz HPHBYOFAFNJSAV-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089400283 1112070069 /nfs/dbraw/zinc/07/00/69/1112070069.db2.gz HPHBYOFAFNJSAV-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1)N1CCCC1 ZINC001089459072 1112173937 /nfs/dbraw/zinc/17/39/37/1112173937.db2.gz RUPFXJVWOVAHSY-MRXNPFEDSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N1CCCC1 ZINC001089459072 1112173938 /nfs/dbraw/zinc/17/39/38/1112173938.db2.gz RUPFXJVWOVAHSY-MRXNPFEDSA-N 1 3 341.515 2.827 20 0 EFADHO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491502 1112226063 /nfs/dbraw/zinc/22/60/63/1112226063.db2.gz OCXIDBUQZLZRTK-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491502 1112226065 /nfs/dbraw/zinc/22/60/65/1112226065.db2.gz OCXIDBUQZLZRTK-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001089492416 1112226217 /nfs/dbraw/zinc/22/62/17/1112226217.db2.gz JRWNFZQYYWCUJQ-BJYXUANLSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001089492416 1112226220 /nfs/dbraw/zinc/22/62/20/1112226220.db2.gz JRWNFZQYYWCUJQ-BJYXUANLSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001089492418 1112226281 /nfs/dbraw/zinc/22/62/81/1112226281.db2.gz JRWNFZQYYWCUJQ-RQTGCPSESA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001089492418 1112226283 /nfs/dbraw/zinc/22/62/83/1112226283.db2.gz JRWNFZQYYWCUJQ-RQTGCPSESA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491764 1112228006 /nfs/dbraw/zinc/22/80/06/1112228006.db2.gz UUBMKHVAADWZEM-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491764 1112228009 /nfs/dbraw/zinc/22/80/09/1112228009.db2.gz UUBMKHVAADWZEM-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491847 1112228165 /nfs/dbraw/zinc/22/81/65/1112228165.db2.gz WOCSCUXLYGSQEA-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491847 1112228167 /nfs/dbraw/zinc/22/81/67/1112228167.db2.gz WOCSCUXLYGSQEA-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565634 1112318301 /nfs/dbraw/zinc/31/83/01/1112318301.db2.gz VGHNFBJRWJDQIY-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565634 1112318305 /nfs/dbraw/zinc/31/83/05/1112318305.db2.gz VGHNFBJRWJDQIY-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642292 1112435539 /nfs/dbraw/zinc/43/55/39/1112435539.db2.gz IBZKPRZJGYJTJA-FGTMMUONSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642292 1112435542 /nfs/dbraw/zinc/43/55/42/1112435542.db2.gz IBZKPRZJGYJTJA-FGTMMUONSA-N 1 3 335.536 2.900 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001483780872 1112445440 /nfs/dbraw/zinc/44/54/40/1112445440.db2.gz DDYRJLMCZXAVMM-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001483780872 1112445442 /nfs/dbraw/zinc/44/54/42/1112445442.db2.gz DDYRJLMCZXAVMM-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001483848029 1112509215 /nfs/dbraw/zinc/50/92/15/1112509215.db2.gz RBMDHGWDXUOPBI-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001483848029 1112509217 /nfs/dbraw/zinc/50/92/17/1112509217.db2.gz RBMDHGWDXUOPBI-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001483970884 1112602114 /nfs/dbraw/zinc/60/21/14/1112602114.db2.gz LFCVCCFYFPWORF-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C[NH+]2CCC(C)(NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001483971376 1112602789 /nfs/dbraw/zinc/60/27/89/1112602789.db2.gz RJVWKRFXXIJVLZ-OAHLLOKOSA-N 1 3 349.544 2.869 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2cccc(OC)c2)CC1 ZINC001483973882 1112615523 /nfs/dbraw/zinc/61/55/23/1112615523.db2.gz KIKFXSMNHLFGIZ-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2cccc(OC)c2)CC1 ZINC001483973882 1112615530 /nfs/dbraw/zinc/61/55/30/1112615530.db2.gz KIKFXSMNHLFGIZ-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484986166 1117911512 /nfs/dbraw/zinc/91/15/12/1117911512.db2.gz PYNAKBYENABFII-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484986166 1117911516 /nfs/dbraw/zinc/91/15/16/1117911516.db2.gz PYNAKBYENABFII-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001485006573 1117936762 /nfs/dbraw/zinc/93/67/62/1117936762.db2.gz XALYOGRQKNZBOK-FQEVSTJZSA-N 1 3 343.515 2.988 20 0 EFADHO C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272694658 1117945374 /nfs/dbraw/zinc/94/53/74/1117945374.db2.gz BULYTJIUWAWCPB-IRXDYDNUSA-N 1 3 341.499 2.584 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC001485265831 1118184054 /nfs/dbraw/zinc/18/40/54/1118184054.db2.gz NDMFYGIZWWZPBF-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc(CF)cc1 ZINC001485311940 1118224578 /nfs/dbraw/zinc/22/45/78/1118224578.db2.gz FYLOSPXAVKEMMJ-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001485311940 1118224581 /nfs/dbraw/zinc/22/45/81/1118224581.db2.gz FYLOSPXAVKEMMJ-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)cs1 ZINC001485438733 1118351284 /nfs/dbraw/zinc/35/12/84/1118351284.db2.gz YEJKIPZYPUKJIH-KRWDZBQOSA-N 1 3 348.516 2.985 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@H](C)F)C1 ZINC001112437113 1118571796 /nfs/dbraw/zinc/57/17/96/1118571796.db2.gz YHLLBMPZGQPXRX-BXWFABGCSA-N 1 3 341.515 2.683 20 0 EFADHO Cc1cccc(C)c1CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921212 1118655495 /nfs/dbraw/zinc/65/54/95/1118655495.db2.gz KDOPUAZLOHHCQN-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cccc(C)c1CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921212 1118655496 /nfs/dbraw/zinc/65/54/96/1118655496.db2.gz KDOPUAZLOHHCQN-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C[NH+]2CC(CNC(=O)c3occc3CN(C)C)C2)cs1 ZINC001031930780 1118677318 /nfs/dbraw/zinc/67/73/18/1118677318.db2.gz AUURETJAKYBGQP-UHFFFAOYSA-N 1 3 347.484 2.573 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941237909 1118695639 /nfs/dbraw/zinc/69/56/39/1118695639.db2.gz SMYYWMYTEXMVOZ-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941237909 1118695640 /nfs/dbraw/zinc/69/56/40/1118695640.db2.gz SMYYWMYTEXMVOZ-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862923 1118805531 /nfs/dbraw/zinc/80/55/31/1118805531.db2.gz QVSYHEQMKKRXQC-RDGPPVDQSA-N 1 3 347.547 2.687 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862923 1118805536 /nfs/dbraw/zinc/80/55/36/1118805536.db2.gz QVSYHEQMKKRXQC-RDGPPVDQSA-N 1 3 347.547 2.687 20 0 EFADHO Cn1nccc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000184011722 1118869311 /nfs/dbraw/zinc/86/93/11/1118869311.db2.gz HYSJMQHXAZNGKG-SESVDKBCSA-N 1 3 338.499 2.853 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001032026659 1118945448 /nfs/dbraw/zinc/94/54/48/1118945448.db2.gz IGMNTHMFMWGLFH-HXUWFJFHSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032027676 1118951447 /nfs/dbraw/zinc/95/14/47/1118951447.db2.gz XOTBZXWOISFYJG-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(CCC(F)(F)F)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555155 1118965489 /nfs/dbraw/zinc/96/54/89/1118965489.db2.gz FKELEHKQXULIML-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1CN(CCC(F)(F)F)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555156 1118965557 /nfs/dbraw/zinc/96/55/57/1118965557.db2.gz FKELEHKQXULIML-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555172 1118965641 /nfs/dbraw/zinc/96/56/41/1118965641.db2.gz FSNNAQYTPUXFFZ-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555172 1118965643 /nfs/dbraw/zinc/96/56/43/1118965643.db2.gz FSNNAQYTPUXFFZ-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042453 1119069618 /nfs/dbraw/zinc/06/96/18/1119069618.db2.gz ALDPSPNYXSRDMO-MOPGFXCFSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042453 1119069622 /nfs/dbraw/zinc/06/96/22/1119069622.db2.gz ALDPSPNYXSRDMO-MOPGFXCFSA-N 1 3 331.504 2.552 20 0 EFADHO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272718985 1119188875 /nfs/dbraw/zinc/18/88/75/1119188875.db2.gz PTYTUDWBAGSHRA-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272718985 1119188877 /nfs/dbraw/zinc/18/88/77/1119188877.db2.gz PTYTUDWBAGSHRA-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CN1c2ccccc2C2(CC[NH+](CCCN3CCCCC3)CC2)C1=O ZINC001272719362 1119199751 /nfs/dbraw/zinc/19/97/51/1119199751.db2.gz SSUHUBKNDLMPTI-UHFFFAOYSA-N 1 3 341.499 2.873 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034339 1119935481 /nfs/dbraw/zinc/93/54/81/1119935481.db2.gz VXCNTJYMKKXZLW-KBAYOESNSA-N 1 3 349.494 2.794 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036212 1120014963 /nfs/dbraw/zinc/01/49/63/1120014963.db2.gz IWCKHYWWQMEBPO-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107039773 1120079290 /nfs/dbraw/zinc/07/92/90/1120079290.db2.gz YFYPHWKYJTVMNF-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO CCC(CC)C[NH+]1CC(CNC(=O)c2ccccc2CN(C)C)C1 ZINC001032204913 1120193024 /nfs/dbraw/zinc/19/30/24/1120193024.db2.gz IZTDMCFWPRQUSY-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC000944441740 1120193808 /nfs/dbraw/zinc/19/38/08/1120193808.db2.gz ACACNXFJRMLXCB-PBHICJAKSA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1C ZINC000944441740 1120193809 /nfs/dbraw/zinc/19/38/09/1120193809.db2.gz ACACNXFJRMLXCB-PBHICJAKSA-N 1 3 330.476 2.588 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3CCCC3)C2)c1 ZINC001032205072 1120195472 /nfs/dbraw/zinc/19/54/72/1120195472.db2.gz NZIFETTUGMJKFS-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000944447131 1120195677 /nfs/dbraw/zinc/19/56/77/1120195677.db2.gz XTFSNDCBVBWZAW-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000944447131 1120195678 /nfs/dbraw/zinc/19/56/78/1120195678.db2.gz XTFSNDCBVBWZAW-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032205882 1120199334 /nfs/dbraw/zinc/19/93/34/1120199334.db2.gz LMLBOTBEGMSJCI-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032206081 1120200274 /nfs/dbraw/zinc/20/02/74/1120200274.db2.gz RJOPWMABQKTHFS-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001032206915 1120203179 /nfs/dbraw/zinc/20/31/79/1120203179.db2.gz OWZURVYOFBULHO-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001409925519 1120340882 /nfs/dbraw/zinc/34/08/82/1120340882.db2.gz OISRXAPUIRADRD-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028651 1120519571 /nfs/dbraw/zinc/51/95/71/1120519571.db2.gz KYBWLHKXKJHEGF-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028651 1120519572 /nfs/dbraw/zinc/51/95/72/1120519572.db2.gz KYBWLHKXKJHEGF-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028649 1120519888 /nfs/dbraw/zinc/51/98/88/1120519888.db2.gz KYBWLHKXKJHEGF-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028649 1120519889 /nfs/dbraw/zinc/51/98/89/1120519889.db2.gz KYBWLHKXKJHEGF-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029427 1120521085 /nfs/dbraw/zinc/52/10/85/1120521085.db2.gz SPEUJLFNCLDNBA-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029427 1120521086 /nfs/dbraw/zinc/52/10/86/1120521086.db2.gz SPEUJLFNCLDNBA-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000154254376 529597704 /nfs/dbraw/zinc/59/77/04/529597704.db2.gz VPOUYHCVIXHZDP-SFHVURJKSA-N 1 3 347.503 2.526 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCCC(=O)OC(C)(C)C ZINC000368356691 282215593 /nfs/dbraw/zinc/21/55/93/282215593.db2.gz CVIMOMJXSGWUGO-ZACQAIPSSA-N 1 3 340.508 2.682 20 0 EFADHO CSc1nnc(CCC[NH2+][C@H]2CCCC[C@H]2CN)n1CC(C)C ZINC000422735011 295690899 /nfs/dbraw/zinc/69/08/99/295690899.db2.gz UEDSGQGPGRFCEP-GJZGRUSLSA-N 1 3 339.553 2.696 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000173956787 529870668 /nfs/dbraw/zinc/87/06/68/529870668.db2.gz URVWCMCDSBPGID-KRWDZBQOSA-N 1 3 349.544 2.829 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000173956787 529870669 /nfs/dbraw/zinc/87/06/69/529870669.db2.gz URVWCMCDSBPGID-KRWDZBQOSA-N 1 3 349.544 2.829 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450019241 282388913 /nfs/dbraw/zinc/38/89/13/282388913.db2.gz UNUZVSXTFCXKFP-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450019241 282388914 /nfs/dbraw/zinc/38/89/14/282388914.db2.gz UNUZVSXTFCXKFP-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+](C)CCOc1cc(CN[C@H]2CCc3cc(F)ccc32)ccn1 ZINC000179511607 233118111 /nfs/dbraw/zinc/11/81/11/233118111.db2.gz YCYGSLCQGRBMJV-SFHVURJKSA-N 1 3 329.419 2.938 20 0 EFADHO C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC000359903712 283076641 /nfs/dbraw/zinc/07/66/41/283076641.db2.gz SUXSLNHTOZLKSK-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC000359903712 283076642 /nfs/dbraw/zinc/07/66/42/283076642.db2.gz SUXSLNHTOZLKSK-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237638820 291059380 /nfs/dbraw/zinc/05/93/80/291059380.db2.gz AHZCIDWNXUHTGL-RYQLBKOJSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237638820 291059383 /nfs/dbraw/zinc/05/93/83/291059383.db2.gz AHZCIDWNXUHTGL-RYQLBKOJSA-N 1 3 331.504 2.871 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357632243 283176342 /nfs/dbraw/zinc/17/63/42/283176342.db2.gz AVJJMBFLDFLQQI-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357632243 283176344 /nfs/dbraw/zinc/17/63/44/283176344.db2.gz AVJJMBFLDFLQQI-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO NC(=O)C[C@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309137 283296001 /nfs/dbraw/zinc/29/60/01/283296001.db2.gz QLOVXQQORNNEDO-LJQANCHMSA-N 1 3 329.488 2.760 20 0 EFADHO NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309137 283296004 /nfs/dbraw/zinc/29/60/04/283296004.db2.gz QLOVXQQORNNEDO-LJQANCHMSA-N 1 3 329.488 2.760 20 0 EFADHO NC(=O)C[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309137 283296007 /nfs/dbraw/zinc/29/60/07/283296007.db2.gz QLOVXQQORNNEDO-LJQANCHMSA-N 1 3 329.488 2.760 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)[NH+](C)C ZINC000454359274 295958266 /nfs/dbraw/zinc/95/82/66/295958266.db2.gz GSEMTANZBRMAPO-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936196 283553189 /nfs/dbraw/zinc/55/31/89/283553189.db2.gz FDQLWFKWOYAUPZ-NHCUHLMSSA-N 1 3 344.547 2.838 20 0 EFADHO C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000237532175 201149534 /nfs/dbraw/zinc/14/95/34/201149534.db2.gz IMZJXPFWVXQFAA-UXDRXVOSSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000237490849 201149665 /nfs/dbraw/zinc/14/96/65/201149665.db2.gz XMAMFVJRCFFKAK-QRQLOZEOSA-N 1 3 341.499 2.545 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000238029158 201150556 /nfs/dbraw/zinc/15/05/56/201150556.db2.gz AKRVPLGZNUKKNZ-WOJBJXKFSA-N 1 3 337.467 2.510 20 0 EFADHO [NH3+]C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237830683 201151392 /nfs/dbraw/zinc/15/13/92/201151392.db2.gz DWADYRGJLICMHO-UXHICEINSA-N 1 3 337.467 2.510 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000246554278 201178316 /nfs/dbraw/zinc/17/83/16/201178316.db2.gz UBXQJTSHBGSHBM-VNVJMFPYSA-N 1 3 341.499 2.686 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262317854 201202895 /nfs/dbraw/zinc/20/28/95/201202895.db2.gz ZZLPURFVJUMZKR-ZNBHLAFESA-N 1 3 341.499 2.860 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000269264430 201230627 /nfs/dbraw/zinc/23/06/27/201230627.db2.gz OJXPIGIRHNAIJN-HKUYNNGSSA-N 1 3 331.504 2.922 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000131983150 223289627 /nfs/dbraw/zinc/28/96/27/223289627.db2.gz BASNACYMHZCRKZ-YLJYHZDGSA-N 1 3 342.483 2.881 20 0 EFADHO Cc1ccccc1OCC[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191378386 239077949 /nfs/dbraw/zinc/07/79/49/239077949.db2.gz DBXDTCXNCGCIQG-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1ccccc1OCC[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000191378386 239077956 /nfs/dbraw/zinc/07/79/56/239077956.db2.gz DBXDTCXNCGCIQG-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000164522555 239115450 /nfs/dbraw/zinc/11/54/50/239115450.db2.gz OPLCEPOFFOUJIM-QZTJIDSGSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164839417 239118001 /nfs/dbraw/zinc/11/80/01/239118001.db2.gz XRGDYMBKCUIXFH-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164839417 239118007 /nfs/dbraw/zinc/11/80/07/239118007.db2.gz XRGDYMBKCUIXFH-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000164845542 239119549 /nfs/dbraw/zinc/11/95/49/239119549.db2.gz CSLDWVSKNPCMEJ-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000164845542 239119556 /nfs/dbraw/zinc/11/95/56/239119556.db2.gz CSLDWVSKNPCMEJ-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCS2 ZINC000191493438 239144513 /nfs/dbraw/zinc/14/45/13/239144513.db2.gz QXZDGTMDBAHRCJ-SFHVURJKSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000292098324 201342340 /nfs/dbraw/zinc/34/23/40/201342340.db2.gz OAZKRLLCPNNMHI-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000193129786 240085727 /nfs/dbraw/zinc/08/57/27/240085727.db2.gz ISBKNDVGSWFYIJ-QAPCUYQASA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000193136393 240086531 /nfs/dbraw/zinc/08/65/31/240086531.db2.gz KGQQJEYMKBTIPZ-CRAIPNDOSA-N 1 3 331.504 2.892 20 0 EFADHO NC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000193430733 240162881 /nfs/dbraw/zinc/16/28/81/240162881.db2.gz FSFTXVKNTFFDDM-VWESTFDSSA-N 1 3 337.467 2.877 20 0 EFADHO C[C@@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418353209 296074918 /nfs/dbraw/zinc/07/49/18/296074918.db2.gz VQSVBEVGHCKRJG-SJLPKXTDSA-N 1 3 346.519 2.584 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000226873470 242117481 /nfs/dbraw/zinc/11/74/81/242117481.db2.gz ISMOQVOCAHCAAQ-BYCMXARLSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000226873470 242117485 /nfs/dbraw/zinc/11/74/85/242117485.db2.gz ISMOQVOCAHCAAQ-BYCMXARLSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000226873487 242118203 /nfs/dbraw/zinc/11/82/03/242118203.db2.gz ISMOQVOCAHCAAQ-NILFDRSVSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000226873487 242118208 /nfs/dbraw/zinc/11/82/08/242118208.db2.gz ISMOQVOCAHCAAQ-NILFDRSVSA-N 1 3 327.266 2.555 20 0 EFADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000433361667 296102978 /nfs/dbraw/zinc/10/29/78/296102978.db2.gz NFWRXPVTIDWHIW-RTBURBONSA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@H]1CCCCN1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431794046 296103429 /nfs/dbraw/zinc/10/34/29/296103429.db2.gz FJORBMFXKGLPOR-IEBWSBKVSA-N 1 3 333.520 2.728 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000236828371 242373706 /nfs/dbraw/zinc/37/37/06/242373706.db2.gz YGOAWRPTUKXSCR-HOTGVXAUSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000237192873 242520905 /nfs/dbraw/zinc/52/09/05/242520905.db2.gz BAQDEZVJPUFCJU-RBUKOAKNSA-N 1 3 325.456 2.804 20 0 EFADHO OC[C@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411985766 243058248 /nfs/dbraw/zinc/05/82/48/243058248.db2.gz JGSKYCSFTMYXRN-UXHICEINSA-N 1 3 332.488 2.550 20 0 EFADHO OC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411985766 243058254 /nfs/dbraw/zinc/05/82/54/243058254.db2.gz JGSKYCSFTMYXRN-UXHICEINSA-N 1 3 332.488 2.550 20 0 EFADHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112109 243146954 /nfs/dbraw/zinc/14/69/54/243146954.db2.gz GJXULNGXMRRXNI-XLIONFOSSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112109 243146963 /nfs/dbraw/zinc/14/69/63/243146963.db2.gz GJXULNGXMRRXNI-XLIONFOSSA-N 1 3 341.499 2.981 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371203 243292122 /nfs/dbraw/zinc/29/21/22/243292122.db2.gz YBNOOBAAOFOYPY-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371203 243292128 /nfs/dbraw/zinc/29/21/28/243292128.db2.gz YBNOOBAAOFOYPY-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000246877369 243328314 /nfs/dbraw/zinc/32/83/14/243328314.db2.gz DFTMVAGNNMFCGK-UKBAYJJMSA-N 1 3 332.488 2.981 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000361523268 296123073 /nfs/dbraw/zinc/12/30/73/296123073.db2.gz DMEPPKIEQNNFKG-PKOBYXMFSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000361523268 296123075 /nfs/dbraw/zinc/12/30/75/296123075.db2.gz DMEPPKIEQNNFKG-PKOBYXMFSA-N 1 3 333.520 2.728 20 0 EFADHO CC(=O)c1ccc(NC(=O)CCN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000069946311 203065354 /nfs/dbraw/zinc/06/53/54/203065354.db2.gz AAAPISSXWFDKQD-UHFFFAOYSA-N 1 3 345.487 2.882 20 0 EFADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CC1 ZINC000070012595 203070159 /nfs/dbraw/zinc/07/01/59/203070159.db2.gz DWPJUQYQZOASJE-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000414236741 244055636 /nfs/dbraw/zinc/05/56/36/244055636.db2.gz GBHBDBCLHIDGHN-ZDUSSCGKSA-N 1 3 332.535 2.752 20 0 EFADHO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201029 244044189 /nfs/dbraw/zinc/04/41/89/244044189.db2.gz SIBLBROPZMZLLO-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414280163 244072869 /nfs/dbraw/zinc/07/28/69/244072869.db2.gz CEIPYEXLQSDJRU-CQSZACIVSA-N 1 3 344.546 2.896 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414280163 244072880 /nfs/dbraw/zinc/07/28/80/244072880.db2.gz CEIPYEXLQSDJRU-CQSZACIVSA-N 1 3 344.546 2.896 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414290115 244075945 /nfs/dbraw/zinc/07/59/45/244075945.db2.gz SITBOHYSOAQRJD-AWEZNQCLSA-N 1 3 344.546 2.753 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414290115 244075955 /nfs/dbraw/zinc/07/59/55/244075955.db2.gz SITBOHYSOAQRJD-AWEZNQCLSA-N 1 3 344.546 2.753 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414322200 244086998 /nfs/dbraw/zinc/08/69/98/244086998.db2.gz GGXHCYUVURUVJB-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C3CCCCC3)cc2)CC1 ZINC000414323647 244090418 /nfs/dbraw/zinc/09/04/18/244090418.db2.gz JIJLDEVVTDUHRJ-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414327938 244091758 /nfs/dbraw/zinc/09/17/58/244091758.db2.gz PJHMMOVBTHZXSU-LJQANCHMSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414336835 244094716 /nfs/dbraw/zinc/09/47/16/244094716.db2.gz ZTZWKKJLLPNJGP-OAHLLOKOSA-N 1 3 329.488 2.662 20 0 EFADHO Cc1occc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000414385925 244124910 /nfs/dbraw/zinc/12/49/10/244124910.db2.gz WTDOJDNBNNEPOL-UHFFFAOYSA-N 1 3 335.492 2.504 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072089695 203161146 /nfs/dbraw/zinc/16/11/46/203161146.db2.gz DGGZMIGKKBFIQE-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072089695 203161150 /nfs/dbraw/zinc/16/11/50/203161150.db2.gz DGGZMIGKKBFIQE-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccoc2C)CC1 ZINC000414443173 244163123 /nfs/dbraw/zinc/16/31/23/244163123.db2.gz RPLWPKOWMOWTLX-UHFFFAOYSA-N 1 3 335.492 2.648 20 0 EFADHO CN(c1ccccc1CN1CCCO[C@@H](CF)C1)C1CC[NH+](C)CC1 ZINC000414483024 244187662 /nfs/dbraw/zinc/18/76/62/244187662.db2.gz YQGJWFBZTPCSNI-IBGZPJMESA-N 1 3 349.494 2.777 20 0 EFADHO COCC[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000414485709 244192381 /nfs/dbraw/zinc/19/23/81/244192381.db2.gz RUXUTOOMIUSYEU-KRWDZBQOSA-N 1 3 333.520 2.979 20 0 EFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccn1C ZINC000414532374 244215227 /nfs/dbraw/zinc/21/52/27/244215227.db2.gz VALNZKNBSOWQTF-UYAOXDASSA-N 1 3 327.472 2.652 20 0 EFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccn1C ZINC000414532374 244215230 /nfs/dbraw/zinc/21/52/30/244215230.db2.gz VALNZKNBSOWQTF-UYAOXDASSA-N 1 3 327.472 2.652 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695627 244294307 /nfs/dbraw/zinc/29/43/07/244294307.db2.gz GUHNQTSKEHLMJM-RYRKJORJSA-N 1 3 345.487 2.795 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414674660 244284701 /nfs/dbraw/zinc/28/47/01/244284701.db2.gz KZXSLTMTRIPLSO-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414674660 244284704 /nfs/dbraw/zinc/28/47/04/244284704.db2.gz KZXSLTMTRIPLSO-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO C[C@@H]1C[C@H](CN2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414679088 244288192 /nfs/dbraw/zinc/28/81/92/244288192.db2.gz KYMHMYLUNKGUNP-ZIAGYGMSSA-N 1 3 327.925 2.907 20 0 EFADHO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681995 244288433 /nfs/dbraw/zinc/28/84/33/244288433.db2.gz QJHRNGDRYSJMTF-HNNXBMFYSA-N 1 3 343.471 2.624 20 0 EFADHO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414681995 244288439 /nfs/dbraw/zinc/28/84/39/244288439.db2.gz QJHRNGDRYSJMTF-HNNXBMFYSA-N 1 3 343.471 2.624 20 0 EFADHO CCOc1ccc(CN2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414682564 244289048 /nfs/dbraw/zinc/28/90/48/244289048.db2.gz RMOQGZOXKCRBGC-HKUYNNGSSA-N 1 3 331.504 2.591 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680318 244289937 /nfs/dbraw/zinc/28/99/37/244289937.db2.gz MREITPSZVPIVHU-CYBMUJFWSA-N 1 3 344.286 2.623 20 0 EFADHO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414680318 244289940 /nfs/dbraw/zinc/28/99/40/244289940.db2.gz MREITPSZVPIVHU-CYBMUJFWSA-N 1 3 344.286 2.623 20 0 EFADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703417 244298671 /nfs/dbraw/zinc/29/86/71/244298671.db2.gz JRNLQBHYXHJILV-HKUYNNGSSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703417 244298674 /nfs/dbraw/zinc/29/86/74/244298674.db2.gz JRNLQBHYXHJILV-HKUYNNGSSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)C[C@H]([NH3+])CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414714020 244303378 /nfs/dbraw/zinc/30/33/78/244303378.db2.gz WSONRNKWMKKJTE-SCTDSRPQSA-N 1 3 325.541 2.571 20 0 EFADHO [NH3+]CCCN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000414730251 244312399 /nfs/dbraw/zinc/31/23/99/244312399.db2.gz AMNSKWLWLFVFGL-UHFFFAOYSA-N 1 3 330.259 2.993 20 0 EFADHO CCCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735141 244315690 /nfs/dbraw/zinc/31/56/90/244315690.db2.gz LXMCRQWMUHTYCR-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747705 244324360 /nfs/dbraw/zinc/32/43/60/244324360.db2.gz SMJAIGXMPLPDFS-YSIASYRMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747705 244324364 /nfs/dbraw/zinc/32/43/64/244324364.db2.gz SMJAIGXMPLPDFS-YSIASYRMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]1 ZINC000414755075 244325956 /nfs/dbraw/zinc/32/59/56/244325956.db2.gz YPLSISLWQQDKRB-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000072860388 203248900 /nfs/dbraw/zinc/24/89/00/203248900.db2.gz RUHUJGVJSBODKP-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000072860388 203248902 /nfs/dbraw/zinc/24/89/02/203248902.db2.gz RUHUJGVJSBODKP-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO c1ccc(C2CCC(CN3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000414764098 244334420 /nfs/dbraw/zinc/33/44/20/244334420.db2.gz DPCHTUIRYJOAMO-DQVLVPHSSA-N 1 3 327.516 2.940 20 0 EFADHO C[C@@H]1C[C@@H](CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000414703498 244299199 /nfs/dbraw/zinc/29/91/99/244299199.db2.gz VOFHLYODMQKIOH-JKIFEVAISA-N 1 3 335.879 2.765 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CC1 ZINC000414807042 244361844 /nfs/dbraw/zinc/36/18/44/244361844.db2.gz QQVLGVMWJLILFP-HZMBPMFUSA-N 1 3 345.365 2.629 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cnc2ccc(Br)cn12 ZINC000414808707 244362594 /nfs/dbraw/zinc/36/25/94/244362594.db2.gz SQDHFBHSTYUGEX-FZMZJTMJSA-N 1 3 337.265 2.704 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414848065 244368896 /nfs/dbraw/zinc/36/88/96/244368896.db2.gz WRCFERMIEJXUES-NWDGAFQWSA-N 1 3 342.281 2.611 20 0 EFADHO COc1cc(Br)ccc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414845855 244370369 /nfs/dbraw/zinc/37/03/69/244370369.db2.gz TWKDHBWVJHNJND-GFCCVEGCSA-N 1 3 327.266 2.937 20 0 EFADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777845 244342594 /nfs/dbraw/zinc/34/25/94/244342594.db2.gz INMONYSZPLKGOR-CABCVRRESA-N 1 3 336.863 2.948 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2cccc(-c3ccccn3)c2)CC12CCOCC2 ZINC000414779863 244344902 /nfs/dbraw/zinc/34/49/02/244344902.db2.gz KSRAFABAMYEUQF-IBGZPJMESA-N 1 3 337.467 2.936 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCC3CC3)cc2)CC12CCOCC2 ZINC000414782247 244347639 /nfs/dbraw/zinc/34/76/39/244347639.db2.gz OCMHHSBNMIEHMH-SFHVURJKSA-N 1 3 330.472 2.663 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2)CC12CCOCC2 ZINC000414784222 244348668 /nfs/dbraw/zinc/34/86/68/244348668.db2.gz QYLDYXVIPRSWMU-CQSZACIVSA-N 1 3 344.377 2.773 20 0 EFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)NCC[C@H]1CCC[NH2+]1 ZINC000414912012 244396319 /nfs/dbraw/zinc/39/63/19/244396319.db2.gz XMQVANMIWNKHGC-HZPDHXFCSA-N 1 3 343.471 2.573 20 0 EFADHO COC[C@]1(C[NH2+]C[C@H](C)c2cccc(Br)c2)CCCN1 ZINC000414945614 244397828 /nfs/dbraw/zinc/39/78/28/244397828.db2.gz QSLOUWNXKKJQRU-XJKSGUPXSA-N 1 3 341.293 2.911 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000075861260 203325529 /nfs/dbraw/zinc/32/55/29/203325529.db2.gz TWYJWPPXWYMGML-ROUUACIJSA-N 1 3 338.467 2.509 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1F ZINC000075861260 203325532 /nfs/dbraw/zinc/32/55/32/203325532.db2.gz TWYJWPPXWYMGML-ROUUACIJSA-N 1 3 338.467 2.509 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000416820975 244857646 /nfs/dbraw/zinc/85/76/46/244857646.db2.gz DCELKUHRKZINMT-LJQANCHMSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000416820974 244857759 /nfs/dbraw/zinc/85/77/59/244857759.db2.gz DCELKUHRKZINMT-IBGZPJMESA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)(CCC[NH3+])NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000416903565 244904514 /nfs/dbraw/zinc/90/45/14/244904514.db2.gz NGHJNYCBJHHXHU-UHFFFAOYSA-N 1 3 346.519 2.989 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccsc1 ZINC000417012559 244972586 /nfs/dbraw/zinc/97/25/86/244972586.db2.gz XEPJIAANTDFGNK-IJEWVQPXSA-N 1 3 338.521 2.510 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000417061075 245001753 /nfs/dbraw/zinc/00/17/53/245001753.db2.gz BQPZRCVCITXRJB-HNAYVOBHSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000417061075 245001759 /nfs/dbraw/zinc/00/17/59/245001759.db2.gz BQPZRCVCITXRJB-HNAYVOBHSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208583 245046861 /nfs/dbraw/zinc/04/68/61/245046861.db2.gz BCRAXSVGFHOQMG-IEBWSBKVSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000417216408 245049575 /nfs/dbraw/zinc/04/95/75/245049575.db2.gz BRTRXKUVTWFPJS-AOIWGVFYSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218375 245050983 /nfs/dbraw/zinc/05/09/83/245050983.db2.gz GKYWJQLXUGGJDG-DKKFBQAASA-N 1 3 344.503 2.733 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000262637289 245087044 /nfs/dbraw/zinc/08/70/44/245087044.db2.gz IICQQJCCTSQNCZ-APWZRJJASA-N 1 3 339.483 2.802 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000262639745 245087183 /nfs/dbraw/zinc/08/71/83/245087183.db2.gz JWFJLHWEEZFYHA-HRCADAONSA-N 1 3 335.517 2.765 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000262652271 245098710 /nfs/dbraw/zinc/09/87/10/245098710.db2.gz RTHDFIKJJPEOTD-UHFFFAOYSA-N 1 3 338.455 2.904 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000418352715 245132150 /nfs/dbraw/zinc/13/21/50/245132150.db2.gz NAYGDWWKJBFNJO-GOSISDBHSA-N 1 3 344.503 2.595 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418366410 245136370 /nfs/dbraw/zinc/13/63/70/245136370.db2.gz PSIOUNHRLYKIEK-LJQANCHMSA-N 1 3 346.519 2.667 20 0 EFADHO CCCN(C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000418367125 245137270 /nfs/dbraw/zinc/13/72/70/245137270.db2.gz YXSVSBGQVCJOKA-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO NC[C@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1 ZINC000418499723 245177439 /nfs/dbraw/zinc/17/74/39/245177439.db2.gz MUAHDORAHQEXLS-MOPGFXCFSA-N 1 3 340.471 2.656 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418503859 245178601 /nfs/dbraw/zinc/17/86/01/245178601.db2.gz ZVXSVXMWTSFDEL-KYNGSXCRSA-N 1 3 340.471 2.751 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418431229 245155407 /nfs/dbraw/zinc/15/54/07/245155407.db2.gz QKHRRNGTNPUNHQ-OTWHNJEPSA-N 1 3 346.519 2.886 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418446222 245160202 /nfs/dbraw/zinc/16/02/02/245160202.db2.gz ALDCOGPXXDUOQZ-RTBURBONSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418452078 245161783 /nfs/dbraw/zinc/16/17/83/245161783.db2.gz WWBJDUZVBOLXNQ-IEBWSBKVSA-N 1 3 346.519 2.667 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000418561293 245195112 /nfs/dbraw/zinc/19/51/12/245195112.db2.gz YUYINSQVVFTZKA-UHFFFAOYSA-N 1 3 332.492 2.550 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418674933 245241492 /nfs/dbraw/zinc/24/14/92/245241492.db2.gz WTPDSFSLENDAAN-IYARVYRRSA-N 1 3 346.519 2.525 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000418655912 245231760 /nfs/dbraw/zinc/23/17/60/245231760.db2.gz RNWLOSSDJSGFEG-SZVBFZGTSA-N 1 3 346.519 2.763 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000418655912 245231763 /nfs/dbraw/zinc/23/17/63/245231763.db2.gz RNWLOSSDJSGFEG-SZVBFZGTSA-N 1 3 346.519 2.763 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000418673142 245239849 /nfs/dbraw/zinc/23/98/49/245239849.db2.gz NFGVUVAAZKHCQQ-RTBURBONSA-N 1 3 344.503 2.736 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418705137 245253130 /nfs/dbraw/zinc/25/31/30/245253130.db2.gz ABBOTIXGOBQMQZ-MSOLQXFVSA-N 1 3 338.540 2.802 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000418717168 245257346 /nfs/dbraw/zinc/25/73/46/245257346.db2.gz ZKHRKHOZKIRSHH-QGZVFWFLSA-N 1 3 334.508 2.586 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236891864 204089657 /nfs/dbraw/zinc/08/96/57/204089657.db2.gz IJNUBUYTZDKDHR-GJYPPUQNSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236891864 204089662 /nfs/dbraw/zinc/08/96/62/204089662.db2.gz IJNUBUYTZDKDHR-GJYPPUQNSA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCC(n2nccc2NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000236922616 204119814 /nfs/dbraw/zinc/11/98/14/204119814.db2.gz PNLQXNVFFQGCOD-HZPDHXFCSA-N 1 3 347.507 2.504 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000104150117 204098939 /nfs/dbraw/zinc/09/89/39/204098939.db2.gz CFPHASSZZWTQFR-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO CC[C@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236953199 204157680 /nfs/dbraw/zinc/15/76/80/204157680.db2.gz LBLUVVZDDRVCBE-HXUWFJFHSA-N 1 3 343.515 2.719 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000236959054 204166615 /nfs/dbraw/zinc/16/66/15/204166615.db2.gz NMANNPSZVZBSSK-OXJNMPFZSA-N 1 3 345.531 2.994 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105113498 204133974 /nfs/dbraw/zinc/13/39/74/204133974.db2.gz BIPWVNRNTDSIAG-MRXNPFEDSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105113498 204133977 /nfs/dbraw/zinc/13/39/77/204133977.db2.gz BIPWVNRNTDSIAG-MRXNPFEDSA-N 1 3 346.519 2.809 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)N(C)C2CC2)cc1 ZINC000105093590 204134257 /nfs/dbraw/zinc/13/42/57/204134257.db2.gz RKRUDKGDAOPOGU-INIZCTEOSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000106427608 204194923 /nfs/dbraw/zinc/19/49/23/204194923.db2.gz NGFHJKSQPOCJML-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000237026025 204317520 /nfs/dbraw/zinc/31/75/20/204317520.db2.gz BTAOKJIFKUMTBY-DNVCBOLYSA-N 1 3 344.503 2.531 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000125834881 205029111 /nfs/dbraw/zinc/02/91/11/205029111.db2.gz PLOSGJAIJPSAIB-GOSISDBHSA-N 1 3 348.466 2.896 20 0 EFADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cnnn2)cc1 ZINC000125989779 205034657 /nfs/dbraw/zinc/03/46/57/205034657.db2.gz XVYBCOQASQBFKY-WMLDXEAASA-N 1 3 330.480 2.679 20 0 EFADHO COc1cccc(CCCN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000126449829 205058161 /nfs/dbraw/zinc/05/81/61/205058161.db2.gz AAEIUBHAHRBJSN-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO COc1cccc(CCCN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000126449829 205058167 /nfs/dbraw/zinc/05/81/67/205058167.db2.gz AAEIUBHAHRBJSN-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000126528422 205061368 /nfs/dbraw/zinc/06/13/68/205061368.db2.gz FLBJQLQJAHWDOY-ICSRJNTNSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000126528422 205061373 /nfs/dbraw/zinc/06/13/73/205061373.db2.gz FLBJQLQJAHWDOY-ICSRJNTNSA-N 1 3 341.499 2.837 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000156398309 205082433 /nfs/dbraw/zinc/08/24/33/205082433.db2.gz UHTOEBKYEGNJPO-UONOGXRCSA-N 1 3 329.444 2.694 20 0 EFADHO c1ccc(CN2CCC(OCCC[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000127714607 205114592 /nfs/dbraw/zinc/11/45/92/205114592.db2.gz KKEAOKZRNTTYKG-UHFFFAOYSA-N 1 3 344.499 2.994 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000128267733 205140876 /nfs/dbraw/zinc/14/08/76/205140876.db2.gz ODAQCDUMNLFJHO-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246194098 205182856 /nfs/dbraw/zinc/18/28/56/205182856.db2.gz DKVXCEHLQZLXAU-ZHALLVOQSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246194098 205182859 /nfs/dbraw/zinc/18/28/59/205182859.db2.gz DKVXCEHLQZLXAU-ZHALLVOQSA-N 1 3 331.504 2.951 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246249285 205189312 /nfs/dbraw/zinc/18/93/12/205189312.db2.gz JRHBNYLUNJKCKA-YTQUADARSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246249285 205189317 /nfs/dbraw/zinc/18/93/17/205189317.db2.gz JRHBNYLUNJKCKA-YTQUADARSA-N 1 3 331.504 2.730 20 0 EFADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246662634 205221574 /nfs/dbraw/zinc/22/15/74/205221574.db2.gz DNFSODBIUWNPES-SJLPKXTDSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000130261824 205230461 /nfs/dbraw/zinc/23/04/61/205230461.db2.gz KCZYCSBZJVIAIV-IBGZPJMESA-N 1 3 347.503 2.788 20 0 EFADHO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000130292757 205232308 /nfs/dbraw/zinc/23/23/08/205232308.db2.gz YIOATJLMQYRVTA-PXNSSMCTSA-N 1 3 342.483 2.881 20 0 EFADHO C[NH+](C)Cc1cccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000130452639 205241035 /nfs/dbraw/zinc/24/10/35/205241035.db2.gz JSUZGOXUGUXRRU-KRWDZBQOSA-N 1 3 333.476 2.847 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129992281 205219633 /nfs/dbraw/zinc/21/96/33/205219633.db2.gz URNSRCCUVKBSTC-SJORKVTESA-N 1 3 346.519 2.709 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130852058 205261496 /nfs/dbraw/zinc/26/14/96/205261496.db2.gz BINGXOGFNASGDH-MJGOQNOKSA-N 1 3 331.504 2.840 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130852058 205261497 /nfs/dbraw/zinc/26/14/97/205261497.db2.gz BINGXOGFNASGDH-MJGOQNOKSA-N 1 3 331.504 2.840 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420380089 245655925 /nfs/dbraw/zinc/65/59/25/245655925.db2.gz BTHWJXWQWGDOIR-YLJYHZDGSA-N 1 3 348.487 2.682 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154291250 205915910 /nfs/dbraw/zinc/91/59/10/205915910.db2.gz YMMLQEORADNXPL-ROUUACIJSA-N 1 3 333.520 2.804 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1)C1CC1 ZINC000421708054 246075507 /nfs/dbraw/zinc/07/55/07/246075507.db2.gz YZIPOTYDOLOCJB-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1)C1CC1 ZINC000421708054 246075514 /nfs/dbraw/zinc/07/55/14/246075514.db2.gz YZIPOTYDOLOCJB-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000156022901 206051719 /nfs/dbraw/zinc/05/17/19/206051719.db2.gz DVRZFPXEWULGJN-UHFFFAOYSA-N 1 3 333.476 2.654 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000156176975 206059725 /nfs/dbraw/zinc/05/97/25/206059725.db2.gz XLMSFYPVYILFJH-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156176975 206059729 /nfs/dbraw/zinc/05/97/29/206059729.db2.gz XLMSFYPVYILFJH-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CCCN1C[C@H](C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1=O ZINC000421893793 246155155 /nfs/dbraw/zinc/15/51/55/246155155.db2.gz XFVOKEKIFCTWMM-IRXDYDNUSA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000157495281 206140722 /nfs/dbraw/zinc/14/07/22/206140722.db2.gz GRDYDQPJIWIMEC-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000264268925 246267566 /nfs/dbraw/zinc/26/75/66/246267566.db2.gz OIFCXMSHGUVXBI-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422168437 246280606 /nfs/dbraw/zinc/28/06/06/246280606.db2.gz CPKMCGKRFQEBIE-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000158289251 206183921 /nfs/dbraw/zinc/18/39/21/206183921.db2.gz RLBXCCFEWLKJKT-FXAWDEMLSA-N 1 3 342.483 2.881 20 0 EFADHO CC(C)(CC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000422578532 246391929 /nfs/dbraw/zinc/39/19/29/246391929.db2.gz WDYHUENGDVHBEJ-UHFFFAOYSA-N 1 3 348.491 2.800 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422710904 246422823 /nfs/dbraw/zinc/42/28/23/246422823.db2.gz LWVNBMJQJAXAGY-JXFKEZNVSA-N 1 3 332.488 2.860 20 0 EFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000159298530 206237534 /nfs/dbraw/zinc/23/75/34/206237534.db2.gz KCBZYEKBVLGKJY-CQSZACIVSA-N 1 3 339.505 2.583 20 0 EFADHO O=C(C1CCC1)N(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000422959461 246525591 /nfs/dbraw/zinc/52/55/91/246525591.db2.gz SCUNDDAHAKLVFY-GUDVDZBRSA-N 1 3 333.520 2.678 20 0 EFADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1)N1CCCC1 ZINC000423092962 246571026 /nfs/dbraw/zinc/57/10/26/246571026.db2.gz FBIPNSNEEIXHCC-MTHXSQLBSA-N 1 3 333.520 2.678 20 0 EFADHO CC[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423262971 246610383 /nfs/dbraw/zinc/61/03/83/246610383.db2.gz ACNQNXDZRXNFNG-SZMVWBNQSA-N 1 3 347.503 2.712 20 0 EFADHO COC(=O)[C@H](CCN1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000425405095 247073090 /nfs/dbraw/zinc/07/30/90/247073090.db2.gz KVNUQBQJIMTGSJ-LJQANCHMSA-N 1 3 332.488 2.997 20 0 EFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427271822 247332628 /nfs/dbraw/zinc/33/26/28/247332628.db2.gz HCWBKIGLINEFEM-RTBURBONSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427302275 247334915 /nfs/dbraw/zinc/33/49/15/247334915.db2.gz OUDNGXFJDNCTHP-LMMKCTJWSA-N 1 3 329.488 2.718 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000433308095 248042255 /nfs/dbraw/zinc/04/22/55/248042255.db2.gz WXGUXBOOJSQJEW-SZMVWBNQSA-N 1 3 346.519 2.700 20 0 EFADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000433588819 248073568 /nfs/dbraw/zinc/07/35/68/248073568.db2.gz BLQVUSCXGRDJMV-WMZOPIPTSA-N 1 3 334.508 2.719 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434356923 248145185 /nfs/dbraw/zinc/14/51/85/248145185.db2.gz ZVAZSQIXMLKLOS-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434356923 248145188 /nfs/dbraw/zinc/14/51/88/248145188.db2.gz ZVAZSQIXMLKLOS-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000434354483 248145684 /nfs/dbraw/zinc/14/56/84/248145684.db2.gz JGKFDGAWGJPMOM-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H](CN1CCOCC1)N(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435047937 248206735 /nfs/dbraw/zinc/20/67/35/248206735.db2.gz FKLVFQVEARBIKE-LJQANCHMSA-N 1 3 347.547 2.797 20 0 EFADHO C[C@H](CN1CCOCC1)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435047937 248206737 /nfs/dbraw/zinc/20/67/37/248206737.db2.gz FKLVFQVEARBIKE-LJQANCHMSA-N 1 3 347.547 2.797 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@H](C)[NH3+])CC1 ZINC000435374525 248232870 /nfs/dbraw/zinc/23/28/70/248232870.db2.gz XULLDRGMRLPURU-LBPRGKRZSA-N 1 3 346.427 2.787 20 0 EFADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OCc1ccncc1 ZINC000435392600 248236053 /nfs/dbraw/zinc/23/60/53/248236053.db2.gz XLPGJVTYSYJLRP-UHFFFAOYSA-N 1 3 341.455 2.840 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000077826494 284631269 /nfs/dbraw/zinc/63/12/69/284631269.db2.gz NYZLWELGUYIDKE-OAHLLOKOSA-N 1 3 338.521 2.526 20 0 EFADHO Cn1cc(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435682093 249399241 /nfs/dbraw/zinc/39/92/41/249399241.db2.gz MHWWQVUUYCOBHJ-KRWDZBQOSA-N 1 3 330.501 2.668 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000442619918 250091143 /nfs/dbraw/zinc/09/11/43/250091143.db2.gz MMNIIAZMOHNZMQ-SJLPKXTDSA-N 1 3 347.478 2.625 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000442619920 250091846 /nfs/dbraw/zinc/09/18/46/250091846.db2.gz MMNIIAZMOHNZMQ-WMZOPIPTSA-N 1 3 347.478 2.625 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442893265 250138659 /nfs/dbraw/zinc/13/86/59/250138659.db2.gz XIYFLLGQAZHPHS-SJORKVTESA-N 1 3 325.541 2.586 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443054882 250153749 /nfs/dbraw/zinc/15/37/49/250153749.db2.gz ARMSHVDLELQYTK-ZNMIVQPWSA-N 1 3 337.895 2.967 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443061705 250154803 /nfs/dbraw/zinc/15/48/03/250154803.db2.gz SHNVDMRKASHDBH-KXBFYZLASA-N 1 3 335.467 2.700 20 0 EFADHO CC[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443062012 250155860 /nfs/dbraw/zinc/15/58/60/250155860.db2.gz SZSRTOOGBNZKEO-WMLDXEAASA-N 1 3 337.895 2.968 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000444309204 250286824 /nfs/dbraw/zinc/28/68/24/250286824.db2.gz BGQWRCXGMLESIQ-NSOKGPEJSA-N 1 3 343.515 2.884 20 0 EFADHO CC1(C)CCCN(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000444891061 250362271 /nfs/dbraw/zinc/36/22/71/250362271.db2.gz YVDBSKSZJHTVTP-UHFFFAOYSA-N 1 3 338.540 2.717 20 0 EFADHO CC(C)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000444752044 250341550 /nfs/dbraw/zinc/34/15/50/250341550.db2.gz GXKSCFMSMLFBLV-OALUTQOASA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000444752044 250341552 /nfs/dbraw/zinc/34/15/52/250341552.db2.gz GXKSCFMSMLFBLV-OALUTQOASA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@@H]3CCCC[C@@H]31)CC[NH2+]CC2 ZINC000424295185 296294339 /nfs/dbraw/zinc/29/43/39/296294339.db2.gz QVFUHFFODWYESU-SQNIBIBYSA-N 1 3 333.520 2.632 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(OC)c1 ZINC000164098464 284820101 /nfs/dbraw/zinc/82/01/01/284820101.db2.gz VOIFDDUKENSOLO-IAGOWNOFSA-N 1 3 335.492 2.568 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000236884946 284821823 /nfs/dbraw/zinc/82/18/23/284821823.db2.gz GWYUWLDPDDMVDJ-YQVWRLOYSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000269240839 296313550 /nfs/dbraw/zinc/31/35/50/296313550.db2.gz JFJMYBGZXDYBNI-MISYRCLQSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000269240839 296313551 /nfs/dbraw/zinc/31/35/51/296313551.db2.gz JFJMYBGZXDYBNI-MISYRCLQSA-N 1 3 343.515 2.669 20 0 EFADHO c1c[nH]c([C@@H]2CCC[N@@H+](CCCN3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267435011 251054615 /nfs/dbraw/zinc/05/46/15/251054615.db2.gz NOHFAPWBYPJREZ-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1c[nH]c([C@@H]2CCC[N@H+](CCCN3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267435011 251054622 /nfs/dbraw/zinc/05/46/22/251054622.db2.gz NOHFAPWBYPJREZ-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1c[nH]c([C@@H]2CCCN(CCC[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267435011 251054626 /nfs/dbraw/zinc/05/46/26/251054626.db2.gz NOHFAPWBYPJREZ-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1c[nH]c([C@@H]2CCCN(CCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267435011 251054629 /nfs/dbraw/zinc/05/46/29/251054629.db2.gz NOHFAPWBYPJREZ-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000449559956 251065958 /nfs/dbraw/zinc/06/59/58/251065958.db2.gz DMAQITQDNPKJMX-LNRIEFBSSA-N 1 3 331.460 2.627 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000449559956 251065962 /nfs/dbraw/zinc/06/59/62/251065962.db2.gz DMAQITQDNPKJMX-LNRIEFBSSA-N 1 3 331.460 2.627 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)C(C)C ZINC000175281053 207111702 /nfs/dbraw/zinc/11/17/02/207111702.db2.gz OFHWWCBGQWQURN-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)C(C)C ZINC000175281053 207111707 /nfs/dbraw/zinc/11/17/07/207111707.db2.gz OFHWWCBGQWQURN-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707547 251125598 /nfs/dbraw/zinc/12/55/98/251125598.db2.gz RKWWWMKHNDYGJT-SJLPKXTDSA-N 1 3 347.478 2.542 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000449784253 251154243 /nfs/dbraw/zinc/15/42/43/251154243.db2.gz WHHJGEITHYRSIA-QUCCMNQESA-N 1 3 343.515 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000449784253 251154248 /nfs/dbraw/zinc/15/42/48/251154248.db2.gz WHHJGEITHYRSIA-QUCCMNQESA-N 1 3 343.515 2.685 20 0 EFADHO CC[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000176245391 207206250 /nfs/dbraw/zinc/20/62/50/207206250.db2.gz SRUPXNRAEQIDJV-QGZVFWFLSA-N 1 3 329.488 2.631 20 0 EFADHO CCc1cc(NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)cc[nH+]1 ZINC000450219734 251302597 /nfs/dbraw/zinc/30/25/97/251302597.db2.gz YOJWUBRCJCDLNB-KRWDZBQOSA-N 1 3 329.444 2.798 20 0 EFADHO CCc1ccc2nccc(NCCN3CCC([NH+](C)C)CC3)c2c1 ZINC000450369339 251364027 /nfs/dbraw/zinc/36/40/27/251364027.db2.gz OIPBUPXQECBPRO-UHFFFAOYSA-N 1 3 326.488 2.657 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000451189951 251473662 /nfs/dbraw/zinc/47/36/62/251473662.db2.gz SKPNCHVRDSDAHB-MBOZVWFJSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915601 207274736 /nfs/dbraw/zinc/27/47/36/207274736.db2.gz BUHKJBNYOFOUMD-IHPCNDPISA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915601 207274740 /nfs/dbraw/zinc/27/47/40/207274740.db2.gz BUHKJBNYOFOUMD-IHPCNDPISA-N 1 3 334.504 2.757 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000177512537 207347161 /nfs/dbraw/zinc/34/71/61/207347161.db2.gz MPFQQCMRUQPCHI-ROUUACIJSA-N 1 3 331.504 2.835 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000358300615 296329423 /nfs/dbraw/zinc/32/94/23/296329423.db2.gz LUTBIDFXBWEVBB-LMCOJAPRSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000358300615 296329425 /nfs/dbraw/zinc/32/94/25/296329425.db2.gz LUTBIDFXBWEVBB-LMCOJAPRSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000358300613 296329618 /nfs/dbraw/zinc/32/96/18/296329618.db2.gz LUTBIDFXBWEVBB-BTHPGYMESA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000358300613 296329620 /nfs/dbraw/zinc/32/96/20/296329620.db2.gz LUTBIDFXBWEVBB-BTHPGYMESA-N 1 3 336.520 2.957 20 0 EFADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000454250645 252187457 /nfs/dbraw/zinc/18/74/57/252187457.db2.gz BOIIUTFRVFDGEK-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268788047 252238621 /nfs/dbraw/zinc/23/86/21/252238621.db2.gz CDQRXSFOBUCPMX-KRWDZBQOSA-N 1 3 349.519 2.926 20 0 EFADHO CO[C@H](C)[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268780848 252231170 /nfs/dbraw/zinc/23/11/70/252231170.db2.gz DDIMJBXNYLBUOO-RTBURBONSA-N 1 3 333.520 2.597 20 0 EFADHO O[C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CCCC1 ZINC000268805418 252258083 /nfs/dbraw/zinc/25/80/83/252258083.db2.gz CJDKCWHCEDPENO-CJNGLKHVSA-N 1 3 344.377 2.619 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268799374 252252223 /nfs/dbraw/zinc/25/22/23/252252223.db2.gz APYXEYSQIQDXOX-DZGCQCFKSA-N 1 3 346.393 2.735 20 0 EFADHO CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268832717 252282257 /nfs/dbraw/zinc/28/22/57/252282257.db2.gz XBKUAAUPDYGGDG-CVEARBPZSA-N 1 3 335.492 2.582 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861431 252310546 /nfs/dbraw/zinc/31/05/46/252310546.db2.gz SGKXSBDNOPDSPK-CTNGQTDRSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861431 252310550 /nfs/dbraw/zinc/31/05/50/252310550.db2.gz SGKXSBDNOPDSPK-CTNGQTDRSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861431 252310554 /nfs/dbraw/zinc/31/05/54/252310554.db2.gz SGKXSBDNOPDSPK-CTNGQTDRSA-N 1 3 347.547 2.845 20 0 EFADHO Cc1ncc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)c(C)n1 ZINC000268875080 252322740 /nfs/dbraw/zinc/32/27/40/252322740.db2.gz LGSAXMUUCZMTNQ-OAHLLOKOSA-N 1 3 342.487 2.927 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C1CC1 ZINC000361082528 285098412 /nfs/dbraw/zinc/09/84/12/285098412.db2.gz VQRZMUXOTULESB-WOJBJXKFSA-N 1 3 341.499 2.789 20 0 EFADHO CCN1CCC(NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000337420274 285190006 /nfs/dbraw/zinc/19/00/06/285190006.db2.gz UFIHEJVNBOKFRW-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000348567819 285204213 /nfs/dbraw/zinc/20/42/13/285204213.db2.gz FWJDBIJETGOINA-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000348567819 285204220 /nfs/dbraw/zinc/20/42/20/285204220.db2.gz FWJDBIJETGOINA-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000353390037 285235168 /nfs/dbraw/zinc/23/51/68/285235168.db2.gz SRPUIUAJUBHQGZ-ZWKOTPCHSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000353390037 285235172 /nfs/dbraw/zinc/23/51/72/285235172.db2.gz SRPUIUAJUBHQGZ-ZWKOTPCHSA-N 1 3 340.895 2.854 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCCC2 ZINC000357072690 285246623 /nfs/dbraw/zinc/24/66/23/285246623.db2.gz QWAFEZCSAQPICM-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCCC2 ZINC000357072690 285246626 /nfs/dbraw/zinc/24/66/26/285246626.db2.gz QWAFEZCSAQPICM-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)C[C@@H](C)CC1CCOCC1 ZINC000349037839 285249980 /nfs/dbraw/zinc/24/99/80/285249980.db2.gz TXXZOPSTRSMUAW-AZUAARDMSA-N 1 3 339.568 2.787 20 0 EFADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)C[C@@H](C)CC1CCOCC1 ZINC000349037839 285249983 /nfs/dbraw/zinc/24/99/83/285249983.db2.gz TXXZOPSTRSMUAW-AZUAARDMSA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCCC2 ZINC000357072697 285247891 /nfs/dbraw/zinc/24/78/91/285247891.db2.gz QWAFEZCSAQPICM-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCCC2 ZINC000357072697 285247892 /nfs/dbraw/zinc/24/78/92/285247892.db2.gz QWAFEZCSAQPICM-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccn(C(C)C)c1C ZINC000339655006 285281301 /nfs/dbraw/zinc/28/13/01/285281301.db2.gz BNQCAMLPOXPCID-SFHVURJKSA-N 1 3 348.535 2.866 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccn(C(C)C)c1C ZINC000339655006 285281303 /nfs/dbraw/zinc/28/13/03/285281303.db2.gz BNQCAMLPOXPCID-SFHVURJKSA-N 1 3 348.535 2.866 20 0 EFADHO C[NH+](C)CCC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000118868621 221199285 /nfs/dbraw/zinc/19/92/85/221199285.db2.gz VSLFRIXRMKCDNU-UHFFFAOYSA-N 1 3 348.878 2.512 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509259 285376612 /nfs/dbraw/zinc/37/66/12/285376612.db2.gz GZNJVJKRCJKPCV-NXHRZFHOSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509259 285376613 /nfs/dbraw/zinc/37/66/13/285376613.db2.gz GZNJVJKRCJKPCV-NXHRZFHOSA-N 1 3 349.519 2.626 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509259 285376614 /nfs/dbraw/zinc/37/66/14/285376614.db2.gz GZNJVJKRCJKPCV-NXHRZFHOSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C ZINC000361690561 285386452 /nfs/dbraw/zinc/38/64/52/285386452.db2.gz YWOVGKGLQUUATA-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C ZINC000361690561 285386454 /nfs/dbraw/zinc/38/64/54/285386454.db2.gz YWOVGKGLQUUATA-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C[C@H]1C ZINC000361753059 285388146 /nfs/dbraw/zinc/38/81/46/285388146.db2.gz GHLFTNLWQLFLFW-BDXSIMOUSA-N 1 3 338.540 2.764 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C[C@H]1C ZINC000361753059 285388147 /nfs/dbraw/zinc/38/81/47/285388147.db2.gz GHLFTNLWQLFLFW-BDXSIMOUSA-N 1 3 338.540 2.764 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCS2 ZINC000191493423 533296845 /nfs/dbraw/zinc/29/68/45/533296845.db2.gz QXZDGTMDBAHRCJ-GOSISDBHSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000178698485 533378574 /nfs/dbraw/zinc/37/85/74/533378574.db2.gz DZHQWJVNALEVBF-MOPGFXCFSA-N 1 3 331.504 2.603 20 0 EFADHO C/C(=C\c1ccccc1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344227499 533412229 /nfs/dbraw/zinc/41/22/29/533412229.db2.gz YPVWQEYEDBLFAN-BMRADRMJSA-N 1 3 329.488 2.622 20 0 EFADHO COc1ccc(CCC[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191458844 533469027 /nfs/dbraw/zinc/46/90/27/533469027.db2.gz MUNIUMSHQLXKMW-UHFFFAOYSA-N 1 3 347.547 2.976 20 0 EFADHO COc1ccc(CCC[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000191458844 533469030 /nfs/dbraw/zinc/46/90/30/533469030.db2.gz MUNIUMSHQLXKMW-UHFFFAOYSA-N 1 3 347.547 2.976 20 0 EFADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000433361660 304319076 /nfs/dbraw/zinc/31/90/76/304319076.db2.gz NFWRXPVTIDWHIW-MOPGFXCFSA-N 1 3 333.520 2.870 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2C)[C@@H](C)C1 ZINC000343455177 142001143 /nfs/dbraw/zinc/00/11/43/142001143.db2.gz CFLHNXGSZVKQGI-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2C)[C@@H](C)C1 ZINC000343455177 142001144 /nfs/dbraw/zinc/00/11/44/142001144.db2.gz CFLHNXGSZVKQGI-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCN2CCCC2)cc1)C1CC1 ZINC000343486870 142007093 /nfs/dbraw/zinc/00/70/93/142007093.db2.gz HMBFAHHQZANTPI-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCN2CCCC2)cc1)C1CC1 ZINC000343486870 142007096 /nfs/dbraw/zinc/00/70/96/142007096.db2.gz HMBFAHHQZANTPI-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@@H]1C ZINC000343536668 142014047 /nfs/dbraw/zinc/01/40/47/142014047.db2.gz LOFBYJSCMWYPOC-DOTOQJQBSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@@H]1C ZINC000343536668 142014049 /nfs/dbraw/zinc/01/40/49/142014049.db2.gz LOFBYJSCMWYPOC-DOTOQJQBSA-N 1 3 333.476 2.828 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000344546725 142038347 /nfs/dbraw/zinc/03/83/47/142038347.db2.gz GKDGICFJBAZQCK-UHFFFAOYSA-N 1 3 347.503 2.650 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2OCCN(CC)[C@@H]2c2ccccc2)CC1 ZINC000344838189 142085575 /nfs/dbraw/zinc/08/55/75/142085575.db2.gz AHHKVZDGIOMSCE-LEWJYISDSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N(CC)CC ZINC000345975420 142127009 /nfs/dbraw/zinc/12/70/09/142127009.db2.gz GTFSUEWQAZVBIB-KRWDZBQOSA-N 1 3 348.491 2.636 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000346155368 142156815 /nfs/dbraw/zinc/15/68/15/142156815.db2.gz HAFHRPRWXKFSNA-LMMKCTJWSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000346155368 142156816 /nfs/dbraw/zinc/15/68/16/142156816.db2.gz HAFHRPRWXKFSNA-LMMKCTJWSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346266922 142179630 /nfs/dbraw/zinc/17/96/30/142179630.db2.gz BLCRCGQTRBXUGO-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346272960 142181301 /nfs/dbraw/zinc/18/13/01/142181301.db2.gz FZKLGQAJELIOJE-BHIYHBOVSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000346339262 142191730 /nfs/dbraw/zinc/19/17/30/142191730.db2.gz PIXZEFXYGCNLER-GUDVDZBRSA-N 1 3 343.515 2.982 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000347529113 142231453 /nfs/dbraw/zinc/23/14/53/142231453.db2.gz TXSDDSFLTRFUNL-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000347529113 142231454 /nfs/dbraw/zinc/23/14/54/142231454.db2.gz TXSDDSFLTRFUNL-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc2c(c1)CNC2 ZINC000347545477 142233965 /nfs/dbraw/zinc/23/39/65/142233965.db2.gz CRTCNFPHQFTUBV-UHFFFAOYSA-N 1 3 327.472 2.674 20 0 EFADHO Cc1ccc2nc(CN3CCC(CCC[NH+](C)C)CC3)cc(=O)n2c1 ZINC000347561062 142236074 /nfs/dbraw/zinc/23/60/74/142236074.db2.gz GBEQUPQBRBSDIW-UHFFFAOYSA-N 1 3 342.487 2.557 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347644730 142249953 /nfs/dbraw/zinc/24/99/53/142249953.db2.gz BVDWNQAQZCLLQA-QGZVFWFLSA-N 1 3 326.529 2.669 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347755996 142267099 /nfs/dbraw/zinc/26/70/99/142267099.db2.gz QTYCZQDUOZCSJQ-NSHGMRRFSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347755996 142267101 /nfs/dbraw/zinc/26/71/01/142267101.db2.gz QTYCZQDUOZCSJQ-NSHGMRRFSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347755998 142267367 /nfs/dbraw/zinc/26/73/67/142267367.db2.gz QTYCZQDUOZCSJQ-QWFCFKBJSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347755998 142267368 /nfs/dbraw/zinc/26/73/68/142267368.db2.gz QTYCZQDUOZCSJQ-QWFCFKBJSA-N 1 3 343.515 2.840 20 0 EFADHO COC(=O)c1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1C ZINC000347915372 142292269 /nfs/dbraw/zinc/29/22/69/142292269.db2.gz CUMRXOVDOMOWTK-HZPDHXFCSA-N 1 3 335.492 2.659 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1)C1CC1 ZINC000347941043 142296792 /nfs/dbraw/zinc/29/67/92/142296792.db2.gz GUEBBMFNLSFVLL-FQEVSTJZSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1)C1CC1 ZINC000347941043 142296793 /nfs/dbraw/zinc/29/67/93/142296793.db2.gz GUEBBMFNLSFVLL-FQEVSTJZSA-N 1 3 341.499 2.837 20 0 EFADHO CCN(CCC[NH+](C)C)Cc1ccccc1N1CCN(CC)CC1 ZINC000349413343 142328663 /nfs/dbraw/zinc/32/86/63/142328663.db2.gz DNAQXQVKLHJFOG-UHFFFAOYSA-N 1 3 332.536 2.602 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000349693262 142348568 /nfs/dbraw/zinc/34/85/68/142348568.db2.gz MQCZYZGNGNFZJJ-HNNXBMFYSA-N 1 3 347.503 2.925 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000349754711 142355304 /nfs/dbraw/zinc/35/53/04/142355304.db2.gz YYTTZHMIVTZAKJ-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000341228058 145017023 /nfs/dbraw/zinc/01/70/23/145017023.db2.gz JWMNWRRVOILAGF-IAGOWNOFSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000342412994 145120465 /nfs/dbraw/zinc/12/04/65/145120465.db2.gz DVUZFUUIADAOFI-ZWKOTPCHSA-N 1 3 335.492 2.705 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000342693896 145173665 /nfs/dbraw/zinc/17/36/65/145173665.db2.gz FBTMOISCENEQQI-WDSOQIARSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000342695948 145174126 /nfs/dbraw/zinc/17/41/26/145174126.db2.gz HDODQJJVWILRST-HKUYNNGSSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1ccc([C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C2CCCC2)o1 ZINC000342802172 145196476 /nfs/dbraw/zinc/19/64/76/145196476.db2.gz ITBQAEJLYAAYFO-MJGOQNOKSA-N 1 3 347.503 2.996 20 0 EFADHO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342812705 145199056 /nfs/dbraw/zinc/19/90/56/145199056.db2.gz MDKQTSSYWKHTTD-MRXNPFEDSA-N 1 3 328.460 2.534 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342964346 145230890 /nfs/dbraw/zinc/23/08/90/145230890.db2.gz DXZLJCYWLNTIMS-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342964346 145230891 /nfs/dbraw/zinc/23/08/91/145230891.db2.gz DXZLJCYWLNTIMS-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000342964347 145231092 /nfs/dbraw/zinc/23/10/92/145231092.db2.gz DXZLJCYWLNTIMS-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000342964347 145231094 /nfs/dbraw/zinc/23/10/94/145231094.db2.gz DXZLJCYWLNTIMS-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000342964348 145231498 /nfs/dbraw/zinc/23/14/98/145231498.db2.gz DXZLJCYWLNTIMS-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC[C@H](C)C1 ZINC000342964348 145231500 /nfs/dbraw/zinc/23/15/00/145231500.db2.gz DXZLJCYWLNTIMS-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO FC(F)C1CCN(CCOCC[NH+]2CCC(C(F)F)CC2)CC1 ZINC000343784751 145293977 /nfs/dbraw/zinc/29/39/77/145293977.db2.gz REALVIKTLGSTLS-UHFFFAOYSA-N 1 3 340.405 2.957 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000343826602 145302855 /nfs/dbraw/zinc/30/28/55/145302855.db2.gz DQSXRKBXTBPDAJ-NTDBWNAOSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000343826602 145302858 /nfs/dbraw/zinc/30/28/58/145302858.db2.gz DQSXRKBXTBPDAJ-NTDBWNAOSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000343978729 145337751 /nfs/dbraw/zinc/33/77/51/145337751.db2.gz LCDARMCGJMSXJF-APWZRJJASA-N 1 3 327.472 2.891 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000343978729 145337752 /nfs/dbraw/zinc/33/77/52/145337752.db2.gz LCDARMCGJMSXJF-APWZRJJASA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H](CC1CCOCC1)NCc1ccncc1OCCC[NH+](C)C ZINC000344001089 145342382 /nfs/dbraw/zinc/34/23/82/145342382.db2.gz WJYTYINPJXGHCT-MRXNPFEDSA-N 1 3 335.492 2.707 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000344034383 145351357 /nfs/dbraw/zinc/35/13/57/145351357.db2.gz NZDZJAPJPSARSQ-BRWVUGGUSA-N 1 3 335.492 2.821 20 0 EFADHO Cc1ccc(-c2cc(CN(C)CCCN(C)CC[NH+](C)C)on2)cc1 ZINC000344039141 145353287 /nfs/dbraw/zinc/35/32/87/145353287.db2.gz UBWOIKRBNSLFFY-UHFFFAOYSA-N 1 3 344.503 2.965 20 0 EFADHO CCC1(CC)[C@H](NCc2ccncc2OCC[NH+](C)C)C[C@H]1OC ZINC000344091217 145366105 /nfs/dbraw/zinc/36/61/05/145366105.db2.gz QYQJDBZUOVKSQQ-QZTJIDSGSA-N 1 3 335.492 2.705 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000344121431 145373259 /nfs/dbraw/zinc/37/32/59/145373259.db2.gz CZZVIJATNQDKKO-HDICACEKSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccccc1OCC ZINC000344146746 145378972 /nfs/dbraw/zinc/37/89/72/145378972.db2.gz PYJDDDXFMGKULJ-UHFFFAOYSA-N 1 3 333.520 2.935 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccccc1OCC ZINC000344146746 145378974 /nfs/dbraw/zinc/37/89/74/145378974.db2.gz PYJDDDXFMGKULJ-UHFFFAOYSA-N 1 3 333.520 2.935 20 0 EFADHO CCCC1(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000349052555 146043396 /nfs/dbraw/zinc/04/33/96/146043396.db2.gz MJYICVGGRIWZCM-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC1(CNC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000349052555 146043397 /nfs/dbraw/zinc/04/33/97/146043397.db2.gz MJYICVGGRIWZCM-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000349060870 146045544 /nfs/dbraw/zinc/04/55/44/146045544.db2.gz GRRYBGLMFXXGTD-UHFFFAOYSA-N 1 3 349.567 2.713 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)ccc1OC ZINC000349062543 146045561 /nfs/dbraw/zinc/04/55/61/146045561.db2.gz MTOQYYLSORDWNH-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(C)ccc1OC ZINC000349062543 146045563 /nfs/dbraw/zinc/04/55/63/146045563.db2.gz MTOQYYLSORDWNH-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(C)c1 ZINC000349062009 146045811 /nfs/dbraw/zinc/04/58/11/146045811.db2.gz KOQLCHCUMRVPBA-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(C)c1 ZINC000349062009 146045813 /nfs/dbraw/zinc/04/58/13/146045813.db2.gz KOQLCHCUMRVPBA-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000349142062 146058556 /nfs/dbraw/zinc/05/85/56/146058556.db2.gz HFLQVTVHGMOIGR-ZWKOTPCHSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000350871683 146097699 /nfs/dbraw/zinc/09/76/99/146097699.db2.gz RLNXMGOZLVUVKM-MISYRCLQSA-N 1 3 345.531 2.691 20 0 EFADHO C[NH+](C)CC1CCN(CCCc2nc(-c3ccccc3)no2)CC1 ZINC000350915635 146100200 /nfs/dbraw/zinc/10/02/00/146100200.db2.gz ANEKLTVMKXJFDD-UHFFFAOYSA-N 1 3 328.460 2.943 20 0 EFADHO C[C@H](CN(C)C[C@H]1CCCC[C@H]1O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140310 146112014 /nfs/dbraw/zinc/11/20/14/146112014.db2.gz GMQJVRYTJOEFNJ-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN(C)C[C@H]1CCCC[C@H]1O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140310 146112017 /nfs/dbraw/zinc/11/20/17/146112017.db2.gz GMQJVRYTJOEFNJ-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000351140310 146112019 /nfs/dbraw/zinc/11/20/19/146112019.db2.gz GMQJVRYTJOEFNJ-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000351140310 146112021 /nfs/dbraw/zinc/11/20/21/146112021.db2.gz GMQJVRYTJOEFNJ-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000351472597 146125600 /nfs/dbraw/zinc/12/56/00/146125600.db2.gz BEPKQMWGXCEBFM-UXLLHSPISA-N 1 3 344.434 2.786 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000351579033 146150343 /nfs/dbraw/zinc/15/03/43/146150343.db2.gz FCOGFEREXZZUDC-MWDXBVQZSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000351579033 146150345 /nfs/dbraw/zinc/15/03/45/146150345.db2.gz FCOGFEREXZZUDC-MWDXBVQZSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000351579037 146150535 /nfs/dbraw/zinc/15/05/35/146150535.db2.gz FCOGFEREXZZUDC-YLFCFFPRSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000351579037 146150538 /nfs/dbraw/zinc/15/05/38/146150538.db2.gz FCOGFEREXZZUDC-YLFCFFPRSA-N 1 3 348.491 2.635 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000351816919 146209692 /nfs/dbraw/zinc/20/96/92/146209692.db2.gz VGYXFAAAJDEIKM-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000351816919 146209694 /nfs/dbraw/zinc/20/96/94/146209694.db2.gz VGYXFAAAJDEIKM-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000351909911 146233111 /nfs/dbraw/zinc/23/31/11/146233111.db2.gz WGENNKRMNAYGDT-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000351909911 146233112 /nfs/dbraw/zinc/23/31/12/146233112.db2.gz WGENNKRMNAYGDT-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000261810392 545621000 /nfs/dbraw/zinc/62/10/00/545621000.db2.gz RUHKZAYYFBSYFL-BORJPKMPSA-N 1 3 335.517 2.765 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(C)C ZINC000352155886 146303279 /nfs/dbraw/zinc/30/32/79/146303279.db2.gz WJAMHGGZWGJPJO-KRWDZBQOSA-N 1 3 340.556 2.867 20 0 EFADHO COCc1ccccc1/C=C(\C)CNC1(CCO)CC[NH+](C)CC1 ZINC000352912355 146347672 /nfs/dbraw/zinc/34/76/72/146347672.db2.gz CCXANWFNEWDTSM-SAPNQHFASA-N 1 3 332.488 2.673 20 0 EFADHO CC[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000352977586 146364264 /nfs/dbraw/zinc/36/42/64/146364264.db2.gz QTXAYXJDUINWTH-QGZVFWFLSA-N 1 3 331.504 2.570 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@@H]2C)CC1 ZINC000353039115 146382791 /nfs/dbraw/zinc/38/27/91/146382791.db2.gz OSQFKFJKOHXTEK-ROUUACIJSA-N 1 3 331.504 2.591 20 0 EFADHO COC1CCN(C2(C[NH2+]Cc3cnccc3N(C)C)CCCC2)CC1 ZINC000353073663 146390471 /nfs/dbraw/zinc/39/04/71/146390471.db2.gz QFHVCQRLXNLMDX-UHFFFAOYSA-N 1 3 346.519 2.661 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353111728 146399041 /nfs/dbraw/zinc/39/90/41/146399041.db2.gz MXSMOZHEZSPVHA-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353111728 146399044 /nfs/dbraw/zinc/39/90/44/146399044.db2.gz MXSMOZHEZSPVHA-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000353690447 146539109 /nfs/dbraw/zinc/53/91/09/146539109.db2.gz DIBLLEPQASNVNF-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000356837146 147349186 /nfs/dbraw/zinc/34/91/86/147349186.db2.gz DCZUBSAUUQNTDL-MWDXBVQZSA-N 1 3 342.405 2.800 20 0 EFADHO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000356837144 147349527 /nfs/dbraw/zinc/34/95/27/147349527.db2.gz DCZUBSAUUQNTDL-LUKYLMHMSA-N 1 3 342.405 2.800 20 0 EFADHO NC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000356894769 147365483 /nfs/dbraw/zinc/36/54/83/147365483.db2.gz JZGXKURVANDLRG-KPZODNFCSA-N 1 3 341.499 2.531 20 0 EFADHO NC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000356894768 147365563 /nfs/dbraw/zinc/36/55/63/147365563.db2.gz JZGXKURVANDLRG-KMMPOOCJSA-N 1 3 341.499 2.531 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000356953593 147382704 /nfs/dbraw/zinc/38/27/04/147382704.db2.gz QXNLABCOEYAINV-OAHLLOKOSA-N 1 3 347.503 2.749 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)nc1 ZINC000358367740 147783715 /nfs/dbraw/zinc/78/37/15/147783715.db2.gz KXXCNWDZQWADKX-INIZCTEOSA-N 1 3 328.460 2.619 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cc2ccccc2C)CC1 ZINC000359195055 148020741 /nfs/dbraw/zinc/02/07/41/148020741.db2.gz JNHULVFPEBPYEI-HXUWFJFHSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359221685 148026985 /nfs/dbraw/zinc/02/69/85/148026985.db2.gz HQQMLPHISNGOHH-NVXWUHKLSA-N 1 3 344.503 2.652 20 0 EFADHO CC1CCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000359616466 148140835 /nfs/dbraw/zinc/14/08/35/148140835.db2.gz CAWZCAOCMSOPMG-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000359723827 148171824 /nfs/dbraw/zinc/17/18/24/148171824.db2.gz BNIYRLJICJHUPO-YMQHIKHWSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000359723827 148171826 /nfs/dbraw/zinc/17/18/26/148171826.db2.gz BNIYRLJICJHUPO-YMQHIKHWSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000359723827 148171828 /nfs/dbraw/zinc/17/18/28/148171828.db2.gz BNIYRLJICJHUPO-YMQHIKHWSA-N 1 3 326.484 2.814 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N[C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000360096243 148270131 /nfs/dbraw/zinc/27/01/31/148270131.db2.gz DGVGWDUAPOZSFS-BBWFWOEESA-N 1 3 343.581 2.544 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000360244061 148309235 /nfs/dbraw/zinc/30/92/35/148309235.db2.gz ZAEIJUWPXMFXQQ-OXJNMPFZSA-N 1 3 325.456 2.856 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(CN(C)C)CCCC2)[C@@H](C)C1 ZINC000355069054 286058945 /nfs/dbraw/zinc/05/89/45/286058945.db2.gz QMIWPRPXBZXTID-RBUKOAKNSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(OCCN(C)C)c1 ZINC000363759070 149008344 /nfs/dbraw/zinc/00/83/44/149008344.db2.gz TYYCJTOSCAWWLN-YOEHRIQHSA-N 1 3 328.460 2.558 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364129593 149074342 /nfs/dbraw/zinc/07/43/42/149074342.db2.gz YDTVBTPMWJPZII-GOSISDBHSA-N 1 3 347.478 2.640 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000364463674 149159512 /nfs/dbraw/zinc/15/95/12/149159512.db2.gz UTUYWTPEPVPPBE-HZPDHXFCSA-N 1 3 335.517 2.781 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368040903 150017785 /nfs/dbraw/zinc/01/77/85/150017785.db2.gz JEWIMJRRAIGJMN-ULQDDVLXSA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368040903 150017788 /nfs/dbraw/zinc/01/77/88/150017788.db2.gz JEWIMJRRAIGJMN-ULQDDVLXSA-N 1 3 349.519 2.992 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000354663201 286150722 /nfs/dbraw/zinc/15/07/22/286150722.db2.gz NUSFXNXQSZJECF-ZCNNSNEGSA-N 1 3 332.488 2.548 20 0 EFADHO CN1CCN(CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1(C)C ZINC000368051852 150021312 /nfs/dbraw/zinc/02/13/12/150021312.db2.gz QPICXTZIJRPKRZ-UHFFFAOYSA-N 1 3 337.458 2.826 20 0 EFADHO CN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000368057759 150022628 /nfs/dbraw/zinc/02/26/28/150022628.db2.gz FEZZQPIDPXVHLQ-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000368057759 150022631 /nfs/dbraw/zinc/02/26/31/150022631.db2.gz FEZZQPIDPXVHLQ-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000368057759 150022633 /nfs/dbraw/zinc/02/26/33/150022633.db2.gz FEZZQPIDPXVHLQ-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368075729 150027742 /nfs/dbraw/zinc/02/77/42/150027742.db2.gz ZRNLQEGXLQWNLN-VQTJNVASSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368075729 150027745 /nfs/dbraw/zinc/02/77/45/150027745.db2.gz ZRNLQEGXLQWNLN-VQTJNVASSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368075728 150027910 /nfs/dbraw/zinc/02/79/10/150027910.db2.gz ZRNLQEGXLQWNLN-UXHICEINSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368075728 150027912 /nfs/dbraw/zinc/02/79/12/150027912.db2.gz ZRNLQEGXLQWNLN-UXHICEINSA-N 1 3 338.499 2.899 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216971 150069803 /nfs/dbraw/zinc/06/98/03/150069803.db2.gz VMFFYZFSFMSGRV-ZDUSSCGKSA-N 1 3 343.302 2.647 20 0 EFADHO CN1CCC([N@@H+]2CC[C@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216971 150069806 /nfs/dbraw/zinc/06/98/06/150069806.db2.gz VMFFYZFSFMSGRV-ZDUSSCGKSA-N 1 3 343.302 2.647 20 0 EFADHO CN1CCC([N@H+]2CC[C@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216971 150069808 /nfs/dbraw/zinc/06/98/08/150069808.db2.gz VMFFYZFSFMSGRV-ZDUSSCGKSA-N 1 3 343.302 2.647 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCCC3CCOCC3)CC2)CC1 ZINC000368409096 150113602 /nfs/dbraw/zinc/11/36/02/150113602.db2.gz HRZLDHFNTZUQLA-UHFFFAOYSA-N 1 3 337.552 2.543 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1 ZINC000368926475 150237502 /nfs/dbraw/zinc/23/75/02/150237502.db2.gz PBMXAXGQNNPWJG-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368949540 150243756 /nfs/dbraw/zinc/24/37/56/150243756.db2.gz IYHFTTOVNPSPHJ-INIZCTEOSA-N 1 3 346.471 2.687 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368949540 150243758 /nfs/dbraw/zinc/24/37/58/150243758.db2.gz IYHFTTOVNPSPHJ-INIZCTEOSA-N 1 3 346.471 2.687 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368949540 150243760 /nfs/dbraw/zinc/24/37/60/150243760.db2.gz IYHFTTOVNPSPHJ-INIZCTEOSA-N 1 3 346.471 2.687 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000369185759 150296142 /nfs/dbraw/zinc/29/61/42/150296142.db2.gz ACRGNLSSTQNACC-WOJBJXKFSA-N 1 3 337.552 2.541 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000369185759 150296144 /nfs/dbraw/zinc/29/61/44/150296144.db2.gz ACRGNLSSTQNACC-WOJBJXKFSA-N 1 3 337.552 2.541 20 0 EFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423168314 286226642 /nfs/dbraw/zinc/22/66/42/286226642.db2.gz UHIDJSTUHZSKKU-JGNHQEBTSA-N 1 3 336.451 2.512 20 0 EFADHO CCn1cc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000373753235 151221155 /nfs/dbraw/zinc/22/11/55/151221155.db2.gz IKQQUDUIMPKKOS-HDICACEKSA-N 1 3 348.535 2.657 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)[C@H]2C1 ZINC000373827512 151232732 /nfs/dbraw/zinc/23/27/32/151232732.db2.gz WPKPOKAMOGMGOY-NEWSRXKRSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)[C@H]2C1 ZINC000373827512 151232734 /nfs/dbraw/zinc/23/27/34/151232734.db2.gz WPKPOKAMOGMGOY-NEWSRXKRSA-N 1 3 348.535 2.519 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000373844483 151235832 /nfs/dbraw/zinc/23/58/32/151235832.db2.gz ZDUAUPVPJIKWPM-QUCCMNQESA-N 1 3 338.499 2.952 20 0 EFADHO CN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](c2ccccc2)C1 ZINC000374292035 151316380 /nfs/dbraw/zinc/31/63/80/151316380.db2.gz BIWHYBOACVNEPV-WOJBJXKFSA-N 1 3 337.467 2.576 20 0 EFADHO Cc1ccccc1OCCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374325251 151323273 /nfs/dbraw/zinc/32/32/73/151323273.db2.gz OOQHZPATDHWYPA-PMACEKPBSA-N 1 3 345.531 2.722 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000374530140 151363736 /nfs/dbraw/zinc/36/37/36/151363736.db2.gz ZZGDKEITOOHQOY-HQRMLTQVSA-N 1 3 348.487 2.616 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000342699862 292253357 /nfs/dbraw/zinc/25/33/57/292253357.db2.gz WECZSUHGGNLSTO-UHOSZYNNSA-N 1 3 329.488 2.636 20 0 EFADHO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204015 287294965 /nfs/dbraw/zinc/29/49/65/287294965.db2.gz VYBPVOAHLVIXPC-QRVBRYPASA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000359387076 287311446 /nfs/dbraw/zinc/31/14/46/287311446.db2.gz AQVWESSHJGYMTB-LSTHTHJFSA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H](CCO)C2CCOCC2)CC1 ZINC000359387076 287311451 /nfs/dbraw/zinc/31/14/51/287311451.db2.gz AQVWESSHJGYMTB-LSTHTHJFSA-N 1 3 338.536 2.797 20 0 EFADHO CCN1CCC([NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000122354463 222069719 /nfs/dbraw/zinc/06/97/19/222069719.db2.gz YSRUNQCIJWSWLN-UHFFFAOYSA-N 1 3 339.277 2.958 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(CCC(C)C)CCC(C)C)CC1 ZINC000052872179 544449935 /nfs/dbraw/zinc/44/99/35/544449935.db2.gz WKTDTFJSRAWMLH-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000073311666 544464499 /nfs/dbraw/zinc/46/44/99/544464499.db2.gz CBBBCFHXTJJDEA-LJQANCHMSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000090919406 544533446 /nfs/dbraw/zinc/53/34/46/544533446.db2.gz MIOZGYJNPDZGQS-RHSMWYFYSA-N 1 3 333.451 2.641 20 0 EFADHO C[C@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000090076840 544529783 /nfs/dbraw/zinc/52/97/83/544529783.db2.gz SMANZTMPNOXAQM-GUYCJALGSA-N 1 3 335.879 2.765 20 0 EFADHO COCCN(C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090169287 544529918 /nfs/dbraw/zinc/52/99/18/544529918.db2.gz LLMKDKKMTJTJQQ-LJQANCHMSA-N 1 3 333.520 2.597 20 0 EFADHO C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000090076841 544530168 /nfs/dbraw/zinc/53/01/68/544530168.db2.gz SMANZTMPNOXAQM-DYVFJYSZSA-N 1 3 335.879 2.765 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683416 544554901 /nfs/dbraw/zinc/55/49/01/544554901.db2.gz KRQKWXQXEKNJOY-HXUWFJFHSA-N 1 3 345.531 2.935 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000093865752 544556988 /nfs/dbraw/zinc/55/69/88/544556988.db2.gz YWIIVCVGNHWVQJ-HXUWFJFHSA-N 1 3 341.455 2.675 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC000131761705 544664767 /nfs/dbraw/zinc/66/47/67/544664767.db2.gz LBUAUKUENVYRRY-LJQANCHMSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCc1cccnc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000151132772 544705898 /nfs/dbraw/zinc/70/58/98/544705898.db2.gz AYEPLCNXALZZAA-LBPRGKRZSA-N 1 3 331.382 2.843 20 0 EFADHO COc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166296862 544850597 /nfs/dbraw/zinc/85/05/97/544850597.db2.gz WTMSOTCSDVXERA-RBUKOAKNSA-N 1 3 344.499 2.960 20 0 EFADHO COc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166296862 544850599 /nfs/dbraw/zinc/85/05/99/544850599.db2.gz WTMSOTCSDVXERA-RBUKOAKNSA-N 1 3 344.499 2.960 20 0 EFADHO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000184225782 265012414 /nfs/dbraw/zinc/01/24/14/265012414.db2.gz SSPIMKILPAQOIS-UHFFFAOYSA-N 1 3 337.467 2.884 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000184553194 265019370 /nfs/dbraw/zinc/01/93/70/265019370.db2.gz QOFMPGFMMATMLQ-IAGOWNOFSA-N 1 3 337.508 2.896 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000189911742 265204904 /nfs/dbraw/zinc/20/49/04/265204904.db2.gz XXCWNIZVTXWELK-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000190204898 265215171 /nfs/dbraw/zinc/21/51/71/265215171.db2.gz SJYSBEPXYYDXII-APWZRJJASA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000190204898 265215173 /nfs/dbraw/zinc/21/51/73/265215173.db2.gz SJYSBEPXYYDXII-APWZRJJASA-N 1 3 339.524 2.907 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495652 265265929 /nfs/dbraw/zinc/26/59/29/265265929.db2.gz QHEZFCNIGYYVKJ-YJBOKZPZSA-N 1 3 349.544 2.848 20 0 EFADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745232 265306878 /nfs/dbraw/zinc/30/68/78/265306878.db2.gz LMFBLPYAISVCHL-ZWKOTPCHSA-N 1 3 325.541 2.538 20 0 EFADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745232 265306883 /nfs/dbraw/zinc/30/68/83/265306883.db2.gz LMFBLPYAISVCHL-ZWKOTPCHSA-N 1 3 325.541 2.538 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2CCO[C@H](C)C2)CC1 ZINC000192794188 265309297 /nfs/dbraw/zinc/30/92/97/265309297.db2.gz ZYMXXQYBRLDIMX-GOSISDBHSA-N 1 3 325.541 2.541 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000271517180 265999333 /nfs/dbraw/zinc/99/93/33/265999333.db2.gz OZHXZEMNTQGAHA-BOUXLOLZSA-N 1 3 349.494 2.920 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000271564317 266008582 /nfs/dbraw/zinc/00/85/82/266008582.db2.gz XMFWLKCHHIHYBA-GUDVDZBRSA-N 1 3 330.472 2.868 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000271707807 266045679 /nfs/dbraw/zinc/04/56/79/266045679.db2.gz MKGLOVWGMRNETO-APWZRJJASA-N 1 3 348.487 2.963 20 0 EFADHO C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271707807 266045683 /nfs/dbraw/zinc/04/56/83/266045683.db2.gz MKGLOVWGMRNETO-APWZRJJASA-N 1 3 348.487 2.963 20 0 EFADHO CN1CC=C(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000271807908 266066635 /nfs/dbraw/zinc/06/66/35/266066635.db2.gz AAYWGFSWFMTMLG-UHFFFAOYSA-N 1 3 325.456 2.671 20 0 EFADHO CCOc1cccc2cc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)oc21 ZINC000271820519 266069650 /nfs/dbraw/zinc/06/96/50/266069650.db2.gz CDBIKLGQACFMJQ-CQSZACIVSA-N 1 3 332.444 2.939 20 0 EFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271916163 266096104 /nfs/dbraw/zinc/09/61/04/266096104.db2.gz YVNLYSDALLYRLO-GFCCVEGCSA-N 1 3 344.427 2.595 20 0 EFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271916163 266096105 /nfs/dbraw/zinc/09/61/05/266096105.db2.gz YVNLYSDALLYRLO-GFCCVEGCSA-N 1 3 344.427 2.595 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCC2=CCN(C)CC2)c1 ZINC000272073672 266144513 /nfs/dbraw/zinc/14/45/13/266144513.db2.gz JZBCEVMYTFDGER-UHFFFAOYSA-N 1 3 344.503 2.590 20 0 EFADHO COCCn1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272205151 266188758 /nfs/dbraw/zinc/18/87/58/266188758.db2.gz PGLNTHPKGGKCBX-PXNSSMCTSA-N 1 3 342.487 2.530 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000272301398 266221705 /nfs/dbraw/zinc/22/17/05/266221705.db2.gz HCSZRBFIGNAKGG-MAUKXSAKSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000272301398 266221709 /nfs/dbraw/zinc/22/17/09/266221709.db2.gz HCSZRBFIGNAKGG-MAUKXSAKSA-N 1 3 349.544 2.615 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272442835 266267657 /nfs/dbraw/zinc/26/76/57/266267657.db2.gz LGOOXBXCRYUZFL-KXBFYZLASA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272442835 266267660 /nfs/dbraw/zinc/26/76/60/266267660.db2.gz LGOOXBXCRYUZFL-KXBFYZLASA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000272560381 266308589 /nfs/dbraw/zinc/30/85/89/266308589.db2.gz JLYITWFJTHYZCB-LJQANCHMSA-N 1 3 332.492 2.673 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccccc1OCC[NH+](C)C ZINC000272605014 266324973 /nfs/dbraw/zinc/32/49/73/266324973.db2.gz YLRQFYSJWKPYRD-OAHLLOKOSA-N 1 3 336.476 2.837 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272657366 266341033 /nfs/dbraw/zinc/34/10/33/266341033.db2.gz LWWKEPAKCZWWAF-WMZOPIPTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H](NCCNC(=O)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657366 266341037 /nfs/dbraw/zinc/34/10/37/266341037.db2.gz LWWKEPAKCZWWAF-WMZOPIPTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H](NCCNC(=O)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657366 266341039 /nfs/dbraw/zinc/34/10/39/266341039.db2.gz LWWKEPAKCZWWAF-WMZOPIPTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272657516 266341741 /nfs/dbraw/zinc/34/17/41/266341741.db2.gz MDFIHNWLOUDCAQ-YSIASYRMSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669280 266345236 /nfs/dbraw/zinc/34/52/36/266345236.db2.gz PBNSOTMYRDQZJI-HNBVOPMISA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669280 266345237 /nfs/dbraw/zinc/34/52/37/266345237.db2.gz PBNSOTMYRDQZJI-HNBVOPMISA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272671924 266346750 /nfs/dbraw/zinc/34/67/50/266346750.db2.gz PQRXUTVWMMPXLS-WMZOPIPTSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272671924 266346753 /nfs/dbraw/zinc/34/67/53/266346753.db2.gz PQRXUTVWMMPXLS-WMZOPIPTSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272671924 266346758 /nfs/dbraw/zinc/34/67/58/266346758.db2.gz PQRXUTVWMMPXLS-WMZOPIPTSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272671921 266347491 /nfs/dbraw/zinc/34/74/91/266347491.db2.gz PQRXUTVWMMPXLS-SJLPKXTDSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272671921 266347492 /nfs/dbraw/zinc/34/74/92/266347492.db2.gz PQRXUTVWMMPXLS-SJLPKXTDSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272671921 266347495 /nfs/dbraw/zinc/34/74/95/266347495.db2.gz PQRXUTVWMMPXLS-SJLPKXTDSA-N 1 3 331.504 2.649 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000272714552 266360809 /nfs/dbraw/zinc/36/08/09/266360809.db2.gz IDWGVAZWFDBDLT-QFBILLFUSA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000272714552 266360812 /nfs/dbraw/zinc/36/08/12/266360812.db2.gz IDWGVAZWFDBDLT-QFBILLFUSA-N 1 3 344.503 2.547 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000273007066 266435722 /nfs/dbraw/zinc/43/57/22/266435722.db2.gz OBHDLWCCVZUWJF-IBGZPJMESA-N 1 3 329.444 2.614 20 0 EFADHO C[NH+]1CCC(C)(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275615046 266841417 /nfs/dbraw/zinc/84/14/17/266841417.db2.gz RJBJNGXTGHXERD-UHFFFAOYSA-N 1 3 330.451 2.892 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276596140 267020787 /nfs/dbraw/zinc/02/07/87/267020787.db2.gz HKDGQUDNCQXOLB-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CC(C)(C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCC1 ZINC000276765612 267044961 /nfs/dbraw/zinc/04/49/61/267044961.db2.gz JLGMGCSTXKXRPB-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C1CC1 ZINC000157772191 273021507 /nfs/dbraw/zinc/02/15/07/273021507.db2.gz HTKLHSFDCMGPGR-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000177553168 273037679 /nfs/dbraw/zinc/03/76/79/273037679.db2.gz SENNKEPMJNBLBF-MRXNPFEDSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747934 273052424 /nfs/dbraw/zinc/05/24/24/273052424.db2.gz BJPRVVXGBZXWQA-INMHGKMJSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747934 273052425 /nfs/dbraw/zinc/05/24/25/273052425.db2.gz BJPRVVXGBZXWQA-INMHGKMJSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237546241 273071427 /nfs/dbraw/zinc/07/14/27/273071427.db2.gz IEZPHKUFBLWYBG-KRWDZBQOSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237566032 273071509 /nfs/dbraw/zinc/07/15/09/273071509.db2.gz GWJXXMHEJWXVED-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](C[NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000271202145 273102264 /nfs/dbraw/zinc/10/22/64/273102264.db2.gz FPEMWLCDMCDVBB-ZDUSSCGKSA-N 1 3 341.293 2.599 20 0 EFADHO C[C@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CN1C1CC1 ZINC000271247016 273103317 /nfs/dbraw/zinc/10/33/17/273103317.db2.gz VXBRUBJGQDTVDN-JKSUJKDBSA-N 1 3 343.519 2.649 20 0 EFADHO Cc1ccncc1[C@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000271574446 273106230 /nfs/dbraw/zinc/10/62/30/273106230.db2.gz ZNIPYTDWSIZLQB-INIZCTEOSA-N 1 3 340.471 2.532 20 0 EFADHO COc1ccccc1[C@H]([NH2+]CC1(O)CCN(C)CC1)C1CCCC1 ZINC000271703052 273106767 /nfs/dbraw/zinc/10/67/67/273106767.db2.gz LTPSJWFFRASTRR-LJQANCHMSA-N 1 3 332.488 2.973 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000277083075 273146547 /nfs/dbraw/zinc/14/65/47/273146547.db2.gz FKHKAECPPJWONE-SBHAEUEKSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000277083075 273146548 /nfs/dbraw/zinc/14/65/48/273146548.db2.gz FKHKAECPPJWONE-SBHAEUEKSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000277368448 273153164 /nfs/dbraw/zinc/15/31/64/273153164.db2.gz XLJTTXRTQIJDSW-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000277368448 273153165 /nfs/dbraw/zinc/15/31/65/273153165.db2.gz XLJTTXRTQIJDSW-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@H]1C ZINC000279784010 273253016 /nfs/dbraw/zinc/25/30/16/273253016.db2.gz CGOXSFZIMWCALE-IEZWGBDMSA-N 1 3 348.487 2.694 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000280861301 273374752 /nfs/dbraw/zinc/37/47/52/273374752.db2.gz CDPPWGKKOOUAHD-FUHWJXTLSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000280871093 273375938 /nfs/dbraw/zinc/37/59/38/273375938.db2.gz ODPIDODMKBDMRU-RBAQFSTRSA-N 1 3 341.499 2.545 20 0 EFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000280933560 273382941 /nfs/dbraw/zinc/38/29/41/273382941.db2.gz IIMQWJNTBYLMRP-WMZOPIPTSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000281007233 273390944 /nfs/dbraw/zinc/39/09/44/273390944.db2.gz LCZINQILWKKDRK-NPMXOYFQSA-N 1 3 338.517 2.579 20 0 EFADHO COc1ccccc1C(C)(C)[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000283314925 273700646 /nfs/dbraw/zinc/70/06/46/273700646.db2.gz OFYBOECHHABMMC-UHFFFAOYSA-N 1 3 333.520 2.936 20 0 EFADHO CO[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000284534418 273851741 /nfs/dbraw/zinc/85/17/41/273851741.db2.gz WYMFECDDIJGWQT-OAQYLSRUSA-N 1 3 345.531 2.865 20 0 EFADHO CO[C@@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000284563685 273855789 /nfs/dbraw/zinc/85/57/89/273855789.db2.gz YLZGXMGKIVAUSZ-FQEVSTJZSA-N 1 3 332.488 2.951 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000285457967 274003229 /nfs/dbraw/zinc/00/32/29/274003229.db2.gz JNEAZFLZKWQQCO-GOSISDBHSA-N 1 3 334.504 2.849 20 0 EFADHO CCN1CCN(CCCC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285543160 274021831 /nfs/dbraw/zinc/02/18/31/274021831.db2.gz TYPODBMPZRBSNO-AATRIKPKSA-N 1 3 337.458 2.985 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc3c(c1)CCC(=O)N3C)C2 ZINC000285601658 274035320 /nfs/dbraw/zinc/03/53/20/274035320.db2.gz VGWQMVAATKZWCA-JWTNVVGKSA-N 1 3 327.472 2.653 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc3c(c1)CCC(=O)N3C)C2 ZINC000285601658 274035321 /nfs/dbraw/zinc/03/53/21/274035321.db2.gz VGWQMVAATKZWCA-JWTNVVGKSA-N 1 3 327.472 2.653 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(N)=O ZINC000285897719 274096343 /nfs/dbraw/zinc/09/63/43/274096343.db2.gz BDMLKFUYFCQMFA-IPMKNSEASA-N 1 3 343.515 2.778 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285906303 274097819 /nfs/dbraw/zinc/09/78/19/274097819.db2.gz CZAYHJFUHSYGOF-CYBMUJFWSA-N 1 3 329.444 2.543 20 0 EFADHO C[NH2+]CCCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000285923681 274101194 /nfs/dbraw/zinc/10/11/94/274101194.db2.gz FBUUQBKUCFKZGG-UHFFFAOYSA-N 1 3 345.409 2.595 20 0 EFADHO OCCOCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000285932623 274102860 /nfs/dbraw/zinc/10/28/60/274102860.db2.gz CZSYMBKGOQCLSP-NJDAHSKKSA-N 1 3 346.515 2.666 20 0 EFADHO C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)[C@H](C)[NH3+] ZINC000285978306 274110696 /nfs/dbraw/zinc/11/06/96/274110696.db2.gz HOUCJTIYINSGKW-OLZOCXBDSA-N 1 3 345.409 2.579 20 0 EFADHO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286258852 274163909 /nfs/dbraw/zinc/16/39/09/274163909.db2.gz UTVYAEUMNGYDII-HSALFYBXSA-N 1 3 343.515 2.793 20 0 EFADHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)[NH+](CC)CC ZINC000286268356 274166032 /nfs/dbraw/zinc/16/60/32/274166032.db2.gz VWAQZGBNEPKKIW-MSOLQXFVSA-N 1 3 335.492 2.535 20 0 EFADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000286268687 274166100 /nfs/dbraw/zinc/16/61/00/274166100.db2.gz VYHNPNPAIWBQLG-STQMWFEESA-N 1 3 345.409 2.579 20 0 EFADHO Cc1cnn(C)c1C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000286664629 274246478 /nfs/dbraw/zinc/24/64/78/274246478.db2.gz UTOPNPDRRCHHGR-IRXDYDNUSA-N 1 3 326.488 2.975 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000097428310 274290345 /nfs/dbraw/zinc/29/03/45/274290345.db2.gz MAHUTMGQZDEFHV-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000097428310 274290347 /nfs/dbraw/zinc/29/03/47/274290347.db2.gz MAHUTMGQZDEFHV-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000287012000 274321920 /nfs/dbraw/zinc/32/19/20/274321920.db2.gz HTJZBTMBMKTHGS-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000287012000 274321921 /nfs/dbraw/zinc/32/19/21/274321921.db2.gz HTJZBTMBMKTHGS-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000287114533 274346265 /nfs/dbraw/zinc/34/62/65/274346265.db2.gz KGCOXTHQIDSMLP-LPHOPBHVSA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000287114537 274346352 /nfs/dbraw/zinc/34/63/52/274346352.db2.gz KGCOXTHQIDSMLP-VQIMIIECSA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000287377056 274407063 /nfs/dbraw/zinc/40/70/63/274407063.db2.gz UEZDUSRQQIELLD-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288177097 274541809 /nfs/dbraw/zinc/54/18/09/274541809.db2.gz PLVPJMVPRYPDIA-QRQLOZEOSA-N 1 3 346.519 2.804 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000289411968 274756218 /nfs/dbraw/zinc/75/62/18/274756218.db2.gz HYZSMHGXUMOOIB-NSCUHMNNSA-N 1 3 349.469 2.937 20 0 EFADHO CC(C)Oc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289437702 274760647 /nfs/dbraw/zinc/76/06/47/274760647.db2.gz LNAOGGMXXUDOPE-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)CC1 ZINC000289488539 274770374 /nfs/dbraw/zinc/77/03/74/274770374.db2.gz RJARFCYWRPWSEF-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289643533 274796899 /nfs/dbraw/zinc/79/68/99/274796899.db2.gz HVHANDPLBWNADC-GOSISDBHSA-N 1 3 339.911 2.645 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000418355129 275745562 /nfs/dbraw/zinc/74/55/62/275745562.db2.gz PBRIXWUBQARQDS-KDOFPFPSSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000418355098 275745637 /nfs/dbraw/zinc/74/56/37/275745637.db2.gz OZAFXAPEBVLIQN-ROUUACIJSA-N 1 3 334.508 2.825 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000418355097 275748360 /nfs/dbraw/zinc/74/83/60/275748360.db2.gz OZAFXAPEBVLIQN-QZTJIDSGSA-N 1 3 334.508 2.825 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262160021 276052862 /nfs/dbraw/zinc/05/28/62/276052862.db2.gz GVEMRNXYMCTYHD-QUCCMNQESA-N 1 3 343.515 2.890 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@H]2C)c1 ZINC000355470950 276110113 /nfs/dbraw/zinc/11/01/13/276110113.db2.gz HKDUEGWNWUNMCN-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808085 276153052 /nfs/dbraw/zinc/15/30/52/276153052.db2.gz OOJPGLZCCFCSFZ-IPMKNSEASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072808085 276153054 /nfs/dbraw/zinc/15/30/54/276153054.db2.gz OOJPGLZCCFCSFZ-IPMKNSEASA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1 ZINC000346621587 276170446 /nfs/dbraw/zinc/17/04/46/276170446.db2.gz MRSXGBHKCSHCFV-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1 ZINC000346621587 276170447 /nfs/dbraw/zinc/17/04/47/276170447.db2.gz MRSXGBHKCSHCFV-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000341057054 276172231 /nfs/dbraw/zinc/17/22/31/276172231.db2.gz NOMYRIHMXHQGSU-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000341057054 276172232 /nfs/dbraw/zinc/17/22/32/276172232.db2.gz NOMYRIHMXHQGSU-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N2CCC([NH3+])CC2)c2ccccc2)CC1 ZINC000417208399 276199236 /nfs/dbraw/zinc/19/92/36/276199236.db2.gz AUVIEALVTFSFBU-IBGZPJMESA-N 1 3 344.503 2.592 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000163578866 276199397 /nfs/dbraw/zinc/19/93/97/276199397.db2.gz YODLQGYWVVJTJB-CVEARBPZSA-N 1 3 335.517 2.779 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000349158127 276203318 /nfs/dbraw/zinc/20/33/18/276203318.db2.gz ZKFHBVVKFLDFIU-NRFANRHFSA-N 1 3 345.531 2.956 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000349158127 276203320 /nfs/dbraw/zinc/20/33/20/276203320.db2.gz ZKFHBVVKFLDFIU-NRFANRHFSA-N 1 3 345.531 2.956 20 0 EFADHO CCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000358601544 276304779 /nfs/dbraw/zinc/30/47/79/276304779.db2.gz YDYMPHDTMYEREH-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO CCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000358601544 276304781 /nfs/dbraw/zinc/30/47/81/276304781.db2.gz YDYMPHDTMYEREH-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341243643 276325266 /nfs/dbraw/zinc/32/52/66/276325266.db2.gz REGYFECMXHLFHO-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2c1CCC2 ZINC000337567111 276370805 /nfs/dbraw/zinc/37/08/05/276370805.db2.gz AJHWSZWUXSWPPT-GOSISDBHSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2c1CCC2 ZINC000337567111 276370806 /nfs/dbraw/zinc/37/08/06/276370806.db2.gz AJHWSZWUXSWPPT-GOSISDBHSA-N 1 3 343.515 2.663 20 0 EFADHO CCO[C@@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411553159 276470886 /nfs/dbraw/zinc/47/08/86/276470886.db2.gz CDSNDQCATKEMRJ-WOJBJXKFSA-N 1 3 332.488 2.956 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416837572 276691207 /nfs/dbraw/zinc/69/12/07/276691207.db2.gz IAYNOJWKHRFVBE-MJGOQNOKSA-N 1 3 346.519 2.541 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370633165 276692690 /nfs/dbraw/zinc/69/26/90/276692690.db2.gz GCAPOGLMPQKJOU-GOEBONIOSA-N 1 3 348.560 2.841 20 0 EFADHO CN(c1ccccc1CNC[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000268308265 277003240 /nfs/dbraw/zinc/00/32/40/277003240.db2.gz APWFGAXGQPUOPE-LJQANCHMSA-N 1 3 331.504 2.876 20 0 EFADHO CC(C)([NH3+])CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763694 277306176 /nfs/dbraw/zinc/30/61/76/277306176.db2.gz NYABUNWQETXOHO-HXUWFJFHSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000351756420 277566885 /nfs/dbraw/zinc/56/68/85/277566885.db2.gz AAJUQWIIWFCGQR-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000354896689 277860518 /nfs/dbraw/zinc/86/05/18/277860518.db2.gz JNDGWFNBDKIMAH-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)c1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414682842 278035413 /nfs/dbraw/zinc/03/54/13/278035413.db2.gz SARGFIHRIBKCPP-GOSISDBHSA-N 1 3 343.515 2.972 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414682842 278035414 /nfs/dbraw/zinc/03/54/14/278035414.db2.gz SARGFIHRIBKCPP-GOSISDBHSA-N 1 3 343.515 2.972 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCN1C ZINC000437782917 278084047 /nfs/dbraw/zinc/08/40/47/278084047.db2.gz GWZJAUDPQMJXMV-NXHRZFHOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCN1C ZINC000437782917 278084048 /nfs/dbraw/zinc/08/40/48/278084048.db2.gz GWZJAUDPQMJXMV-NXHRZFHOSA-N 1 3 336.524 2.565 20 0 EFADHO CS[C@H]1CCCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000184989044 278160949 /nfs/dbraw/zinc/16/09/49/278160949.db2.gz UEWVWBZTYOQDFH-ZWKOTPCHSA-N 1 3 349.544 2.623 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000350953897 278202599 /nfs/dbraw/zinc/20/25/99/278202599.db2.gz XLYZKPGYRRGRCR-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO CC1(C)CCCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423076703 278215796 /nfs/dbraw/zinc/21/57/96/278215796.db2.gz RSZCBAURNRMAGU-GHTZIAJQSA-N 1 3 343.515 2.954 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000430714341 278222522 /nfs/dbraw/zinc/22/25/22/278222522.db2.gz NMEJGNCHHKINNO-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H](CCNC(=O)N(C)CCN1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000351876017 278232670 /nfs/dbraw/zinc/23/26/70/278232670.db2.gz ADQFALQADSFAGE-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](CCNC(=O)N(C)CCN1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000351876017 278232673 /nfs/dbraw/zinc/23/26/73/278232673.db2.gz ADQFALQADSFAGE-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000298484664 278336536 /nfs/dbraw/zinc/33/65/36/278336536.db2.gz PRDCJXIPWPKTLK-CQSZACIVSA-N 1 3 339.443 2.892 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261909572 278708844 /nfs/dbraw/zinc/70/88/44/278708844.db2.gz WGRDBMBEALONOE-VIQWUECVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876012 288087428 /nfs/dbraw/zinc/08/74/28/288087428.db2.gz GVQTYSDSSSTJDN-IXDOHACOSA-N 1 3 349.544 2.835 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876012 288087429 /nfs/dbraw/zinc/08/74/29/288087429.db2.gz GVQTYSDSSSTJDN-IXDOHACOSA-N 1 3 349.544 2.835 20 0 EFADHO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000368453538 279007540 /nfs/dbraw/zinc/00/75/40/279007540.db2.gz KVCUXBCZASPYEH-NQYYFHDYSA-N 1 3 329.488 2.798 20 0 EFADHO C[C@@H]1Cc2ccc(F)cc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350026 279014507 /nfs/dbraw/zinc/01/45/07/279014507.db2.gz BAFLWYZACCYURC-VLIAUNLRSA-N 1 3 347.478 2.591 20 0 EFADHO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000358799063 279099246 /nfs/dbraw/zinc/09/92/46/279099246.db2.gz OVVLLUSZELAJAP-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268256882 279136860 /nfs/dbraw/zinc/13/68/60/279136860.db2.gz ROFWUTIEARFKJP-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351934726 279182373 /nfs/dbraw/zinc/18/23/73/279182373.db2.gz HVGHMRLWKCEXLO-GOSISDBHSA-N 1 3 325.541 2.682 20 0 EFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351934726 279182374 /nfs/dbraw/zinc/18/23/74/279182374.db2.gz HVGHMRLWKCEXLO-GOSISDBHSA-N 1 3 325.541 2.682 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1)C1CC1 ZINC000343784566 279235722 /nfs/dbraw/zinc/23/57/22/279235722.db2.gz FIRMEKKDDGMBFZ-MGPUTAFESA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1)C1CC1 ZINC000343784566 279235724 /nfs/dbraw/zinc/23/57/24/279235724.db2.gz FIRMEKKDDGMBFZ-MGPUTAFESA-N 1 3 341.499 2.883 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCCN1CC ZINC000104392813 279235766 /nfs/dbraw/zinc/23/57/66/279235766.db2.gz MMPXJZQDDFXKIP-LJQANCHMSA-N 1 3 331.504 2.971 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155285163 279266254 /nfs/dbraw/zinc/26/62/54/279266254.db2.gz MFCSICCHLGEKOH-QFBILLFUSA-N 1 3 344.503 2.598 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000303275818 279334449 /nfs/dbraw/zinc/33/44/49/279334449.db2.gz SKJGMICCFPMYIT-BZUAXINKSA-N 1 3 338.540 2.525 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@]2(C)CCCO2)CC1 ZINC000340186789 279364149 /nfs/dbraw/zinc/36/41/49/279364149.db2.gz SZKHONOXTDWEHR-NQIIRXRSSA-N 1 3 345.531 2.871 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCCC2)CC1)C12CCCN1CCC2 ZINC000368102662 279827334 /nfs/dbraw/zinc/82/73/34/279827334.db2.gz ZLBJANVLUDPHHV-UHFFFAOYSA-N 1 3 333.520 2.776 20 0 EFADHO C[C@H]1Cc2ccc(F)cc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350025 280024596 /nfs/dbraw/zinc/02/45/96/280024596.db2.gz BAFLWYZACCYURC-VBKZILBWSA-N 1 3 347.478 2.591 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246174026 280086901 /nfs/dbraw/zinc/08/69/01/280086901.db2.gz JJYJAAGDYGMHPM-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@](O)(C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC000336674015 280143444 /nfs/dbraw/zinc/14/34/44/280143444.db2.gz BUNFLIYARHGWJS-ZACQAIPSSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@](O)(C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC000336674015 280143446 /nfs/dbraw/zinc/14/34/46/280143446.db2.gz BUNFLIYARHGWJS-ZACQAIPSSA-N 1 3 342.405 2.754 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000340122976 280249958 /nfs/dbraw/zinc/24/99/58/280249958.db2.gz LQCOTYSKFVEHDW-RLLQIKCJSA-N 1 3 343.515 2.561 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000340122972 280251556 /nfs/dbraw/zinc/25/15/56/280251556.db2.gz LQCOTYSKFVEHDW-HOJAQTOUSA-N 1 3 343.515 2.561 20 0 EFADHO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179276 280319429 /nfs/dbraw/zinc/31/94/29/280319429.db2.gz AFZABTWYTDSLBK-GUDVDZBRSA-N 1 3 337.552 2.587 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000364076902 281053041 /nfs/dbraw/zinc/05/30/41/281053041.db2.gz UZBNRKZOQDVDPA-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000364076902 281053044 /nfs/dbraw/zinc/05/30/44/281053044.db2.gz UZBNRKZOQDVDPA-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)[C@H](C)C2 ZINC000361069877 281123559 /nfs/dbraw/zinc/12/35/59/281123559.db2.gz UUJJHCBSGVPOCP-HGHGUNKESA-N 1 3 327.516 2.986 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)[C@H](C)C2 ZINC000361069879 281126525 /nfs/dbraw/zinc/12/65/25/281126525.db2.gz UUJJHCBSGVPOCP-PLMTUMEDSA-N 1 3 327.516 2.986 20 0 EFADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000457491868 282060488 /nfs/dbraw/zinc/06/04/88/282060488.db2.gz OGUDQBNAGHMEBT-CQSZACIVSA-N 1 3 338.521 2.524 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000236658115 282070197 /nfs/dbraw/zinc/07/01/97/282070197.db2.gz RRZYQIMWKVNCOV-UHFFFAOYSA-N 1 3 331.504 2.705 20 0 EFADHO C[NH+](C)CCOCCN[C@H]1CCc2c1cccc2Br ZINC000170606795 289171018 /nfs/dbraw/zinc/17/10/18/289171018.db2.gz OLRXGOZJUQSIOM-HNNXBMFYSA-N 1 3 327.266 2.604 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000365466424 289225988 /nfs/dbraw/zinc/22/59/88/289225988.db2.gz QWHGHWFTYHBALH-QGZVFWFLSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201329 289247225 /nfs/dbraw/zinc/24/72/25/289247225.db2.gz SKKNMSLLRJZTRA-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000433959749 289283233 /nfs/dbraw/zinc/28/32/33/289283233.db2.gz VUUUQLBGJANXQS-OALUTQOASA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000433959749 289283237 /nfs/dbraw/zinc/28/32/37/289283237.db2.gz VUUUQLBGJANXQS-OALUTQOASA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000262662620 289297743 /nfs/dbraw/zinc/29/77/43/289297743.db2.gz ZKJAOTIDFKWZCT-LNLFQRSKSA-N 1 3 329.488 2.657 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000176592811 289299293 /nfs/dbraw/zinc/29/92/93/289299293.db2.gz RDTAQCALUSDREC-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003516 289315562 /nfs/dbraw/zinc/31/55/62/289315562.db2.gz BNKIXHDYEJBLMT-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC2(CCCN2C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416188264 289350428 /nfs/dbraw/zinc/35/04/28/289350428.db2.gz IAJPRWXEYZJPAI-GOSISDBHSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](COCC(F)(F)F)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422944670 289711024 /nfs/dbraw/zinc/71/10/24/289711024.db2.gz LWBALAPHAJHLIT-XNRPHZJLSA-N 1 3 344.377 2.799 20 0 EFADHO CN1CCC(C[NH2+][C@@H]2CCCCC23CCCC3)(N2CCOCC2)CC1 ZINC000414204025 289879099 /nfs/dbraw/zinc/87/90/99/289879099.db2.gz VZVUOVYXDUCCDO-LJQANCHMSA-N 1 3 349.563 2.876 20 0 EFADHO CN1CCC2(CCCN2C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000371309776 289902918 /nfs/dbraw/zinc/90/29/18/289902918.db2.gz CSDMCROBVZWNGZ-UHFFFAOYSA-N 1 3 336.524 2.565 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)C2)C1 ZINC000418653100 290002750 /nfs/dbraw/zinc/00/27/50/290002750.db2.gz ACVOQBOMPUKHHW-QUCCMNQESA-N 1 3 344.503 2.594 20 0 EFADHO CN1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031286 290196104 /nfs/dbraw/zinc/19/61/04/290196104.db2.gz WZKPZYHLHQUKRP-BASLNEPJSA-N 1 3 325.859 2.941 20 0 EFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031286 290196106 /nfs/dbraw/zinc/19/61/06/290196106.db2.gz WZKPZYHLHQUKRP-BASLNEPJSA-N 1 3 325.859 2.941 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000090028810 292850436 /nfs/dbraw/zinc/85/04/36/292850436.db2.gz ICNOVHCIAAZONU-UHFFFAOYSA-N 1 3 341.499 2.790 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120119780 292920540 /nfs/dbraw/zinc/92/05/40/292920540.db2.gz LTCXUYDFAGASIQ-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO COC[C@@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000125343197 293009406 /nfs/dbraw/zinc/00/94/06/293009406.db2.gz JURSLQGNKQHMIB-OAQYLSRUSA-N 1 3 345.531 2.912 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000126713361 293047917 /nfs/dbraw/zinc/04/79/17/293047917.db2.gz DJPWFFAXVQOIOM-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126713361 293047918 /nfs/dbraw/zinc/04/79/18/293047918.db2.gz DJPWFFAXVQOIOM-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000127374719 293067607 /nfs/dbraw/zinc/06/76/07/293067607.db2.gz NOTUSVDQOYHPIP-HXUWFJFHSA-N 1 3 344.547 2.745 20 0 EFADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc(C)c1F ZINC000128214518 293095075 /nfs/dbraw/zinc/09/50/75/293095075.db2.gz AODFMVCAOJTTPB-CVEARBPZSA-N 1 3 335.467 2.681 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000128953576 293120034 /nfs/dbraw/zinc/12/00/34/293120034.db2.gz RKKKGCAVPWOLAK-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271140 293128946 /nfs/dbraw/zinc/12/89/46/293128946.db2.gz SYLDYYCEXHZECS-YJBOKZPZSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271140 293128951 /nfs/dbraw/zinc/12/89/51/293128951.db2.gz SYLDYYCEXHZECS-YJBOKZPZSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1 ZINC000129856951 293145997 /nfs/dbraw/zinc/14/59/97/293145997.db2.gz GOIYKOJLZVVXPB-SFHVURJKSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1 ZINC000129856951 293146000 /nfs/dbraw/zinc/14/60/00/293146000.db2.gz GOIYKOJLZVVXPB-SFHVURJKSA-N 1 3 332.492 2.875 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000130016604 293151553 /nfs/dbraw/zinc/15/15/53/293151553.db2.gz VCYGSSMFODUYQJ-GOSISDBHSA-N 1 3 343.515 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000130016604 293151555 /nfs/dbraw/zinc/15/15/55/293151555.db2.gz VCYGSSMFODUYQJ-GOSISDBHSA-N 1 3 343.515 2.829 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000130116787 293154998 /nfs/dbraw/zinc/15/49/98/293154998.db2.gz YLLOLDHXBKMHLU-DLBZAZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000130298373 293160582 /nfs/dbraw/zinc/16/05/82/293160582.db2.gz OQHIGVJNBSSYGU-JKSUJKDBSA-N 1 3 335.517 2.637 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000130907906 293182203 /nfs/dbraw/zinc/18/22/03/293182203.db2.gz RTEVXGYNHNGAOZ-SFHVURJKSA-N 1 3 340.556 2.584 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130907906 293182204 /nfs/dbraw/zinc/18/22/04/293182204.db2.gz RTEVXGYNHNGAOZ-SFHVURJKSA-N 1 3 340.556 2.584 20 0 EFADHO Cc1cc2cccnc2c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000133361434 293254630 /nfs/dbraw/zinc/25/46/30/293254630.db2.gz HGQOZFNEPGPIDQ-UHFFFAOYSA-N 1 3 343.475 2.500 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CCCN1 ZINC000423409494 293293533 /nfs/dbraw/zinc/29/35/33/293293533.db2.gz BSVPDIAVDKJXIY-YZVOILCLSA-N 1 3 336.476 2.554 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)C1 ZINC000152090970 293317072 /nfs/dbraw/zinc/31/70/72/293317072.db2.gz APOQDQSOQJZLRC-INIZCTEOSA-N 1 3 325.497 2.565 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000152295146 293326855 /nfs/dbraw/zinc/32/68/55/293326855.db2.gz SOEGRBMNJAXSHG-RTWAWAEBSA-N 1 3 345.531 2.859 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1N(C)C ZINC000154416027 293425260 /nfs/dbraw/zinc/42/52/60/293425260.db2.gz BYYPDKAGHGEJPY-INIZCTEOSA-N 1 3 336.499 2.570 20 0 EFADHO C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000342632705 297024099 /nfs/dbraw/zinc/02/40/99/297024099.db2.gz MXXDOALHDYRWMZ-VAMGGRTRSA-N 1 3 349.563 2.826 20 0 EFADHO CC(C)n1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000289818196 293919345 /nfs/dbraw/zinc/91/93/45/293919345.db2.gz SMGWZKZEEQWBJT-UHFFFAOYSA-N 1 3 333.505 2.922 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290104972 294000345 /nfs/dbraw/zinc/00/03/45/294000345.db2.gz XXMMTMRLJWVAHL-HNBVOPMISA-N 1 3 343.515 2.886 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290288500 294048335 /nfs/dbraw/zinc/04/83/35/294048335.db2.gz XTTSIPSMBVNQEY-RTBURBONSA-N 1 3 331.504 2.731 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@@H](C[NH+](C)C)C1 ZINC000290393081 294075328 /nfs/dbraw/zinc/07/53/28/294075328.db2.gz SJUZCFHXRLLIGS-INIZCTEOSA-N 1 3 336.476 2.746 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290404761 294078326 /nfs/dbraw/zinc/07/83/26/294078326.db2.gz PPRARLDAFAKFDT-SZMVWBNQSA-N 1 3 346.471 2.918 20 0 EFADHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515073 294107701 /nfs/dbraw/zinc/10/77/01/294107701.db2.gz PUVAOYTUCOXPBG-MJGOQNOKSA-N 1 3 327.472 2.512 20 0 EFADHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515073 294107704 /nfs/dbraw/zinc/10/77/04/294107704.db2.gz PUVAOYTUCOXPBG-MJGOQNOKSA-N 1 3 327.472 2.512 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000290582145 294126730 /nfs/dbraw/zinc/12/67/30/294126730.db2.gz USLAWQIPTDEZGV-LJQANCHMSA-N 1 3 328.504 2.846 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622740 294138395 /nfs/dbraw/zinc/13/83/95/294138395.db2.gz ORLNPXKDXCXQMW-DJIMGWMZSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622740 294138396 /nfs/dbraw/zinc/13/83/96/294138396.db2.gz ORLNPXKDXCXQMW-DJIMGWMZSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622741 294138902 /nfs/dbraw/zinc/13/89/02/294138902.db2.gz ORLNPXKDXCXQMW-HYVNUMGLSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290622741 294138907 /nfs/dbraw/zinc/13/89/07/294138907.db2.gz ORLNPXKDXCXQMW-HYVNUMGLSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290648571 294146303 /nfs/dbraw/zinc/14/63/03/294146303.db2.gz IPCUEDIGKSECNK-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290648571 294146306 /nfs/dbraw/zinc/14/63/06/294146306.db2.gz IPCUEDIGKSECNK-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO C[C@H](CCNC(=O)C1C[C@H](c2ccccc2)OC1=O)[NH+]1CCCCC1 ZINC000290656348 294147909 /nfs/dbraw/zinc/14/79/09/294147909.db2.gz ZJPXZHNUOREDMD-BPQIPLTHSA-N 1 3 344.455 2.672 20 0 EFADHO COC(=O)c1cc(CN2CCC(CCC[NH+](C)C)CC2)n(C)c1C ZINC000291113611 294279544 /nfs/dbraw/zinc/27/95/44/294279544.db2.gz CESGKIFJVOCRTE-UHFFFAOYSA-N 1 3 335.492 2.674 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317035 294346064 /nfs/dbraw/zinc/34/60/64/294346064.db2.gz YKDINSQWNIKCBY-HLLBOEOZSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317035 294346066 /nfs/dbraw/zinc/34/60/66/294346066.db2.gz YKDINSQWNIKCBY-HLLBOEOZSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@@H](C(=O)NC1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291407409 294373286 /nfs/dbraw/zinc/37/32/86/294373286.db2.gz GAFVUZFHWLZYEQ-KRWDZBQOSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000292067124 294568407 /nfs/dbraw/zinc/56/84/07/294568407.db2.gz KUFYSLUDMFNQTR-SFHVURJKSA-N 1 3 329.488 2.608 20 0 EFADHO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000292921479 294826003 /nfs/dbraw/zinc/82/60/03/294826003.db2.gz GHEKZVOQGRLIAH-UTKZUKDTSA-N 1 3 345.531 2.858 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)CN(C)C ZINC000293720524 295035652 /nfs/dbraw/zinc/03/56/52/295035652.db2.gz PPAQTNFWQJBHPN-SJORKVTESA-N 1 3 333.476 2.827 20 0 EFADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN(C)C ZINC000293833466 295059738 /nfs/dbraw/zinc/05/97/38/295059738.db2.gz WOJLALCIOSXUSQ-HUUCEWRRSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+](C)C ZINC000293833466 295059741 /nfs/dbraw/zinc/05/97/41/295059741.db2.gz WOJLALCIOSXUSQ-HUUCEWRRSA-N 1 3 339.911 2.864 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](O)CC1)C1CCN(C)CC1 ZINC000294138551 295117255 /nfs/dbraw/zinc/11/72/55/295117255.db2.gz UTEHARVKQZMVNS-IBGZPJMESA-N 1 3 331.504 2.564 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@H](O)CC1)C1CCN(C)CC1 ZINC000294138551 295117257 /nfs/dbraw/zinc/11/72/57/295117257.db2.gz UTEHARVKQZMVNS-IBGZPJMESA-N 1 3 331.504 2.564 20 0 EFADHO OCC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294151284 295119556 /nfs/dbraw/zinc/11/95/56/295119556.db2.gz HLJCNTLJCVYRLR-SFHVURJKSA-N 1 3 325.456 2.806 20 0 EFADHO c1cc(N2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)ccn1 ZINC000294245263 295134478 /nfs/dbraw/zinc/13/44/78/295134478.db2.gz PMTBVDRFGITKKQ-UHFFFAOYSA-N 1 3 337.471 2.835 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC000294367577 295155034 /nfs/dbraw/zinc/15/50/34/295155034.db2.gz CFLCREGGJJYZDO-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@H](C)CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422782047 295234504 /nfs/dbraw/zinc/23/45/04/295234504.db2.gz MOODYQANPMTCHC-GEALJGNFSA-N 1 3 332.488 2.936 20 0 EFADHO CCN1CCN(CCC[NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000294928943 295247009 /nfs/dbraw/zinc/24/70/09/295247009.db2.gz BYHHRLCGGUWLDC-HNNXBMFYSA-N 1 3 325.447 2.686 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000295000046 295256103 /nfs/dbraw/zinc/25/61/03/295256103.db2.gz LFDDSEZUFNJVPY-QRVBRYPASA-N 1 3 325.456 2.590 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295179023 295278703 /nfs/dbraw/zinc/27/87/03/295278703.db2.gz MKRQZMZQMKNQGX-BXWFABGCSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295179023 295278704 /nfs/dbraw/zinc/27/87/04/295278704.db2.gz MKRQZMZQMKNQGX-BXWFABGCSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000295246664 295287421 /nfs/dbraw/zinc/28/74/21/295287421.db2.gz TXLBKAHXYPURRL-HNNXBMFYSA-N 1 3 344.503 2.544 20 0 EFADHO C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(C2CC2)C1 ZINC000295362733 295307047 /nfs/dbraw/zinc/30/70/47/295307047.db2.gz OBBOVIVMIVPIGM-QGZVFWFLSA-N 1 3 341.499 2.839 20 0 EFADHO CC(C)(O)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000295412574 295316174 /nfs/dbraw/zinc/31/61/74/295316174.db2.gz MVGLIOJQLYZEBM-PMACEKPBSA-N 1 3 346.515 2.772 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000295599852 295347234 /nfs/dbraw/zinc/34/72/34/295347234.db2.gz FRRKWDVZAJVWFK-MRXNPFEDSA-N 1 3 332.492 2.535 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000295673190 295358286 /nfs/dbraw/zinc/35/82/86/295358286.db2.gz KGVZTNRWXNGWDB-OAHLLOKOSA-N 1 3 332.492 2.544 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000295846230 295385154 /nfs/dbraw/zinc/38/51/54/295385154.db2.gz WEIIHRFQOXUNEI-ILZDJORESA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000295846230 295385156 /nfs/dbraw/zinc/38/51/56/295385156.db2.gz WEIIHRFQOXUNEI-ILZDJORESA-N 1 3 341.499 2.640 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000296361876 295464184 /nfs/dbraw/zinc/46/41/84/295464184.db2.gz JOGLDURYSYCFDQ-QAPCUYQASA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116529827 298572214 /nfs/dbraw/zinc/57/22/14/298572214.db2.gz NKIDVBTZPHEQJK-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422980146 298982324 /nfs/dbraw/zinc/98/23/24/298982324.db2.gz LBLDXXXVFZOVHH-MVJPYGJCSA-N 1 3 332.488 2.813 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172914 300164891 /nfs/dbraw/zinc/16/48/91/300164891.db2.gz LMUBQQROQAKPQD-APWZRJJASA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172914 300164893 /nfs/dbraw/zinc/16/48/93/300164893.db2.gz LMUBQQROQAKPQD-APWZRJJASA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000358849494 301716491 /nfs/dbraw/zinc/71/64/91/301716491.db2.gz CWSIZOTURNGQHQ-RTBURBONSA-N 1 3 343.446 2.596 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150992582 310678058 /nfs/dbraw/zinc/67/80/58/310678058.db2.gz UVWKLPZKIBFXCR-HXUWFJFHSA-N 1 3 331.504 2.688 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000297566258 310909044 /nfs/dbraw/zinc/90/90/44/310909044.db2.gz CNBZDCRBWBXTNH-UHFFFAOYSA-N 1 3 328.504 2.786 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297628946 310915769 /nfs/dbraw/zinc/91/57/69/310915769.db2.gz JFRMGMJYGAQYHS-INIZCTEOSA-N 1 3 336.911 2.728 20 0 EFADHO COCCOc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298309610 310977449 /nfs/dbraw/zinc/97/74/49/310977449.db2.gz HVNPWNYSGDXITD-UHFFFAOYSA-N 1 3 341.455 2.865 20 0 EFADHO CC(C)[C@H](C)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000298705652 311016069 /nfs/dbraw/zinc/01/60/69/311016069.db2.gz IPYFBCDGFCDPAQ-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2cc1OC ZINC000299068201 311047571 /nfs/dbraw/zinc/04/75/71/311047571.db2.gz VIIOWQFMHRQJPC-SUMWQHHRSA-N 1 3 327.428 2.782 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2cc1OC ZINC000299068201 311047572 /nfs/dbraw/zinc/04/75/72/311047572.db2.gz VIIOWQFMHRQJPC-SUMWQHHRSA-N 1 3 327.428 2.782 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCCN(C)CCOC)cc1)C(C)C ZINC000299629364 311104645 /nfs/dbraw/zinc/10/46/45/311104645.db2.gz GHPNYEPYTYXLRU-UHFFFAOYSA-N 1 3 349.519 2.615 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCCN(C)CCOC)cc1)C(C)C ZINC000299629364 311104646 /nfs/dbraw/zinc/10/46/46/311104646.db2.gz GHPNYEPYTYXLRU-UHFFFAOYSA-N 1 3 349.519 2.615 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872964 311115882 /nfs/dbraw/zinc/11/58/82/311115882.db2.gz FZNPUMTWMHOETN-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872964 311115883 /nfs/dbraw/zinc/11/58/83/311115883.db2.gz FZNPUMTWMHOETN-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872964 311115885 /nfs/dbraw/zinc/11/58/85/311115885.db2.gz FZNPUMTWMHOETN-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000310419100 311229431 /nfs/dbraw/zinc/22/94/31/311229431.db2.gz NRKVZAMCWMTTNX-MJGOQNOKSA-N 1 3 329.488 2.675 20 0 EFADHO COc1ccc(Br)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312639729 311230588 /nfs/dbraw/zinc/23/05/88/311230588.db2.gz CZISTNQOIRDTFV-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000332136203 311460485 /nfs/dbraw/zinc/46/04/85/311460485.db2.gz CXFOYQBYEIKQNY-UKRRQHHQSA-N 1 3 335.879 2.804 20 0 EFADHO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCCNC1 ZINC000333227991 311586221 /nfs/dbraw/zinc/58/62/21/311586221.db2.gz BHUXHSTZWGTKSD-DUYRZMBNSA-N 1 3 327.472 2.797 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC000333252246 311590132 /nfs/dbraw/zinc/59/01/32/311590132.db2.gz HBAMRAMOYRKITM-CADBVGFASA-N 1 3 343.519 2.654 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333343181 311601874 /nfs/dbraw/zinc/60/18/74/311601874.db2.gz YOIALCDMRXZFAX-RDFYBTABSA-N 1 3 327.472 2.926 20 0 EFADHO COc1ccc(Br)c(CNCC2(C)CC[NH2+]CC2)c1 ZINC000414898080 312059499 /nfs/dbraw/zinc/05/94/99/312059499.db2.gz FWVXJSNUMMTSEL-UHFFFAOYSA-N 1 3 327.266 2.937 20 0 EFADHO CC[C@H]1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414491458 312050070 /nfs/dbraw/zinc/05/00/70/312050070.db2.gz ZCINCIXXECKJCF-OALUTQOASA-N 1 3 337.552 2.589 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414804246 312053637 /nfs/dbraw/zinc/05/36/37/312053637.db2.gz OLPLPZQRUUDQDT-STQMWFEESA-N 1 3 332.366 2.853 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414833569 312055787 /nfs/dbraw/zinc/05/57/87/312055787.db2.gz GKMTYSYDAIYXJB-NEPJUHHUSA-N 1 3 347.381 2.747 20 0 EFADHO Cc1cc(Br)cn2c(C[NH2+][C@H](CN)CC(C)C)cnc12 ZINC000414834026 312056056 /nfs/dbraw/zinc/05/60/56/312056056.db2.gz GFSRJEZAIXTICB-ZDUSSCGKSA-N 1 3 339.281 2.868 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414835303 312056403 /nfs/dbraw/zinc/05/64/03/312056403.db2.gz SYJQNDUBGJVPOE-HOCLYGCPSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414835303 312056404 /nfs/dbraw/zinc/05/64/04/312056404.db2.gz SYJQNDUBGJVPOE-HOCLYGCPSA-N 1 3 337.895 2.666 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414837641 312056745 /nfs/dbraw/zinc/05/67/45/312056745.db2.gz KQAMNEJAFNLNCO-VXGBXAGGSA-N 1 3 327.856 2.511 20 0 EFADHO CC(C)C[C@@H](CN)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000414842281 312057239 /nfs/dbraw/zinc/05/72/39/312057239.db2.gz OGCYWQRWWVLZOH-LBPRGKRZSA-N 1 3 325.254 2.560 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNCc2cc3c(cc2Br)OCO3)C1 ZINC000414986752 312071567 /nfs/dbraw/zinc/07/15/67/312071567.db2.gz CNZAAKDPDZXTSU-CMPLNLGQSA-N 1 3 341.249 2.785 20 0 EFADHO CC(C)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414993951 312073592 /nfs/dbraw/zinc/07/35/92/312073592.db2.gz VAONJTFWJJWRMU-MRXNPFEDSA-N 1 3 329.410 2.736 20 0 EFADHO Cc1cc(Cl)ccc1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997227 312074272 /nfs/dbraw/zinc/07/42/72/312074272.db2.gz YJUXQRWWTLFBMD-AWEZNQCLSA-N 1 3 335.801 2.574 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415003674 312075553 /nfs/dbraw/zinc/07/55/53/312075553.db2.gz NNAXMGHLBIDUGP-JSGCOSHPSA-N 1 3 344.908 2.741 20 0 EFADHO COc1cc(Br)c(CNC[C@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000415011581 312077200 /nfs/dbraw/zinc/07/72/00/312077200.db2.gz WGSLARNTIIKAFT-JQWIXIFHSA-N 1 3 343.265 2.770 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415035121 312080605 /nfs/dbraw/zinc/08/06/05/312080605.db2.gz KNXXJRSISHKZFL-AAEUAGOBSA-N 1 3 331.441 2.756 20 0 EFADHO COc1cc(Br)c(CN[C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415041707 312082103 /nfs/dbraw/zinc/08/21/03/312082103.db2.gz QCYXCNFDCSGBGH-CMPLNLGQSA-N 1 3 343.265 2.683 20 0 EFADHO [NH3+]CCC[C@H](NCc1cnc(N2CCOCC2)s1)c1ccccc1 ZINC000415048166 312083340 /nfs/dbraw/zinc/08/33/40/312083340.db2.gz FTNUXWJTEVWNCK-KRWDZBQOSA-N 1 3 346.500 2.550 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@H](C)C[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415080816 312089541 /nfs/dbraw/zinc/08/95/41/312089541.db2.gz JUCWNNZXLXRCAM-PBHICJAKSA-N 1 3 328.460 2.962 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@H](C)C[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415080818 312089552 /nfs/dbraw/zinc/08/95/52/312089552.db2.gz JUCWNNZXLXRCAM-RHSMWYFYSA-N 1 3 328.460 2.962 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@@H](C)C[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000415080822 312089599 /nfs/dbraw/zinc/08/95/99/312089599.db2.gz JUCWNNZXLXRCAM-YOEHRIQHSA-N 1 3 328.460 2.962 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000415081382 312089955 /nfs/dbraw/zinc/08/99/55/312089955.db2.gz MVGDTBBCXBFXTE-OAHLLOKOSA-N 1 3 349.906 2.549 20 0 EFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415083547 312090543 /nfs/dbraw/zinc/09/05/43/312090543.db2.gz NQPMJFHNTJJIDG-UWVAXJGDSA-N 1 3 331.504 2.528 20 0 EFADHO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415088504 312091141 /nfs/dbraw/zinc/09/11/41/312091141.db2.gz VFHBCQSUPIQXNK-SUMWQHHRSA-N 1 3 339.430 2.593 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000415088239 312091408 /nfs/dbraw/zinc/09/14/08/312091408.db2.gz VXBOGCZQPIZCBD-IPMKNSEASA-N 1 3 331.504 2.637 20 0 EFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415088880 312091415 /nfs/dbraw/zinc/09/14/15/312091415.db2.gz YDQZAQSNKDILAX-QHAWAJNXSA-N 1 3 343.515 2.529 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(N2CCOCC2)CCCCC1 ZINC000415100338 312093678 /nfs/dbraw/zinc/09/36/78/312093678.db2.gz HWACSVCJOXXTFH-IPMKNSEASA-N 1 3 335.536 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCNC2)CC1)c1ccccc1 ZINC000415099215 312093760 /nfs/dbraw/zinc/09/37/60/312093760.db2.gz GIYSCNLSWBGTOH-FXAWDEMLSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100940 312094161 /nfs/dbraw/zinc/09/41/61/312094161.db2.gz AYINIUFVMWVLMN-CXAGYDPISA-N 1 3 333.867 2.831 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100940 312094164 /nfs/dbraw/zinc/09/41/64/312094164.db2.gz AYINIUFVMWVLMN-CXAGYDPISA-N 1 3 333.867 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCNCC2)CC1)c1ccccc1 ZINC000415113127 312096190 /nfs/dbraw/zinc/09/61/90/312096190.db2.gz SLXIBCBKQZGYGU-QUCCMNQESA-N 1 3 343.515 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCNCC2)CC1)c1ccccc1 ZINC000415113129 312096414 /nfs/dbraw/zinc/09/64/14/312096414.db2.gz SLXIBCBKQZGYGU-UYAOXDASSA-N 1 3 343.515 2.903 20 0 EFADHO [NH3+]C1(CNCc2cccc(F)c2)CCN(Cc2ccccc2)CC1 ZINC000415128123 312099043 /nfs/dbraw/zinc/09/90/43/312099043.db2.gz JRRGIFNZYNWNLW-UHFFFAOYSA-N 1 3 327.447 2.909 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415133621 312100364 /nfs/dbraw/zinc/10/03/64/312100364.db2.gz VGNPRUPLODUAMK-LJQANCHMSA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415133621 312100366 /nfs/dbraw/zinc/10/03/66/312100366.db2.gz VGNPRUPLODUAMK-LJQANCHMSA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415133620 312100552 /nfs/dbraw/zinc/10/05/52/312100552.db2.gz VGNPRUPLODUAMK-IBGZPJMESA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415133620 312100554 /nfs/dbraw/zinc/10/05/54/312100554.db2.gz VGNPRUPLODUAMK-IBGZPJMESA-N 1 3 327.476 2.772 20 0 EFADHO CCCOc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415139452 312101872 /nfs/dbraw/zinc/10/18/72/312101872.db2.gz WYSXWROYEZARST-MOPGFXCFSA-N 1 3 330.472 2.676 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(OCCN(C)C)c1 ZINC000415210661 312114566 /nfs/dbraw/zinc/11/45/66/312114566.db2.gz XBZCHYGDOXOHPD-HOTGVXAUSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000415259901 312122215 /nfs/dbraw/zinc/12/22/15/312122215.db2.gz WCMWFFSPGQLWFF-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000415259901 312122217 /nfs/dbraw/zinc/12/22/17/312122217.db2.gz WCMWFFSPGQLWFF-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310174 312128079 /nfs/dbraw/zinc/12/80/79/312128079.db2.gz OJFGOXBXUVKQGC-SFHVURJKSA-N 1 3 348.491 2.656 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC000415453952 312141202 /nfs/dbraw/zinc/14/12/02/312141202.db2.gz NNHUJUJBMQIYRQ-IBGZPJMESA-N 1 3 343.515 2.888 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415883330 312179142 /nfs/dbraw/zinc/17/91/42/312179142.db2.gz NIEVIPKYYAJBDK-UHFFFAOYSA-N 1 3 330.476 2.718 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+](C)C ZINC000415887685 312179497 /nfs/dbraw/zinc/17/94/97/312179497.db2.gz XWNAKFBRVZVRLG-GOSISDBHSA-N 1 3 332.492 2.820 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000415913796 312181000 /nfs/dbraw/zinc/18/10/00/312181000.db2.gz RMDOBOOJMPJRJD-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CNCc1cccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000415945108 312182908 /nfs/dbraw/zinc/18/29/08/312182908.db2.gz QPVGZGOQZYMZRQ-UHFFFAOYSA-N 1 3 330.476 2.935 20 0 EFADHO O=C(Nc1ccc2c(c1F)CCNC2)N1CCC([NH+]2CCCC2)CC1 ZINC000415952050 312183985 /nfs/dbraw/zinc/18/39/85/312183985.db2.gz GRFLZRYQCAAELT-UHFFFAOYSA-N 1 3 346.450 2.564 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCN1C ZINC000415957407 312184820 /nfs/dbraw/zinc/18/48/20/312184820.db2.gz UNGZPZVIOKGXCI-YGRLFVJLSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCN1C ZINC000415957405 312184891 /nfs/dbraw/zinc/18/48/91/312184891.db2.gz UNGZPZVIOKGXCI-QMTHXVAHSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@H]1[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415961439 312185751 /nfs/dbraw/zinc/18/57/51/312185751.db2.gz ROLHMKQJIOAHPM-KXBFYZLASA-N 1 3 338.455 2.930 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000415970322 312187642 /nfs/dbraw/zinc/18/76/42/312187642.db2.gz HXCOERLLZKAIHZ-UHFFFAOYSA-N 1 3 346.475 2.603 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415972039 312188028 /nfs/dbraw/zinc/18/80/28/312188028.db2.gz OMDLDXFWUYFQPX-MFKMUULPSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415972039 312188029 /nfs/dbraw/zinc/18/80/29/312188029.db2.gz OMDLDXFWUYFQPX-MFKMUULPSA-N 1 3 344.381 2.768 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415978943 312189360 /nfs/dbraw/zinc/18/93/60/312189360.db2.gz QBZHVIRZIGYCLL-UHFFFAOYSA-N 1 3 344.434 2.880 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 ZINC000415984560 312190801 /nfs/dbraw/zinc/19/08/01/312190801.db2.gz PWRSUUPHPKOHFG-HNNXBMFYSA-N 1 3 330.476 2.744 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000415986000 312191017 /nfs/dbraw/zinc/19/10/17/312191017.db2.gz ALMJRFMJKYCGPL-UHFFFAOYSA-N 1 3 330.476 2.876 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000415986139 312191132 /nfs/dbraw/zinc/19/11/32/312191132.db2.gz BBLOWLGWAUBKLW-UHFFFAOYSA-N 1 3 328.460 2.772 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000415986139 312191133 /nfs/dbraw/zinc/19/11/33/312191133.db2.gz BBLOWLGWAUBKLW-UHFFFAOYSA-N 1 3 328.460 2.772 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccsc1 ZINC000417008623 312194115 /nfs/dbraw/zinc/19/41/15/312194115.db2.gz MEZDDICFERAYHZ-CWRNSKLLSA-N 1 3 338.521 2.510 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000417223215 312200430 /nfs/dbraw/zinc/20/04/30/312200430.db2.gz RLPLXBOFZCUCKC-NZSAHSFTSA-N 1 3 344.503 2.653 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000417316196 312208000 /nfs/dbraw/zinc/20/80/00/312208000.db2.gz UAQYFPXWLPKTOF-ZWKOTPCHSA-N 1 3 334.508 2.613 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000417314969 312208107 /nfs/dbraw/zinc/20/81/07/312208107.db2.gz RPUNQBLHNSHPAV-PKOBYXMFSA-N 1 3 346.519 2.886 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000417351812 312212958 /nfs/dbraw/zinc/21/29/58/312212958.db2.gz DNVLCPJLUGVEJI-PKOBYXMFSA-N 1 3 346.519 2.949 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351667 312213077 /nfs/dbraw/zinc/21/30/77/312213077.db2.gz DCMYSPIGYKCYGV-MOPGFXCFSA-N 1 3 344.503 2.525 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351670 312213134 /nfs/dbraw/zinc/21/31/34/312213134.db2.gz DCMYSPIGYKCYGV-RBUKOAKNSA-N 1 3 344.503 2.525 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000417358455 312213671 /nfs/dbraw/zinc/21/36/71/312213671.db2.gz TXUDCUYONAIACP-LNLFQRSKSA-N 1 3 344.503 2.524 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417357267 312213839 /nfs/dbraw/zinc/21/38/39/312213839.db2.gz QZJFJCRQJLGKHB-RBUKOAKNSA-N 1 3 344.503 2.525 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCNC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417359502 312214072 /nfs/dbraw/zinc/21/40/72/312214072.db2.gz WCOCIVJYMUSABS-SFHVURJKSA-N 1 3 344.503 2.525 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417579866 312243428 /nfs/dbraw/zinc/24/34/28/312243428.db2.gz BWISYFJFVGGCBP-MSOLQXFVSA-N 1 3 332.492 2.640 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000417589219 312244719 /nfs/dbraw/zinc/24/47/19/312244719.db2.gz QAJJFOJUDDVNBH-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417620784 312248765 /nfs/dbraw/zinc/24/87/65/312248765.db2.gz GNALAFZZMVVRGV-VYDXJSESSA-N 1 3 332.492 2.556 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000417624460 312249021 /nfs/dbraw/zinc/24/90/21/312249021.db2.gz KSXPUQVQKUWUDW-OXQOHEQNSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccccc1 ZINC000417630809 312249871 /nfs/dbraw/zinc/24/98/71/312249871.db2.gz RQJCFVKXQGZGKK-HRCADAONSA-N 1 3 332.492 2.508 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN[C@H](C)[C@H]1C)c1ccccc1 ZINC000417630811 312249923 /nfs/dbraw/zinc/24/99/23/312249923.db2.gz RQJCFVKXQGZGKK-OWCLPIDISA-N 1 3 332.492 2.508 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417677545 312255646 /nfs/dbraw/zinc/25/56/46/312255646.db2.gz FYMLRJPDEIOGCM-JXFKEZNVSA-N 1 3 344.503 2.592 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1NCCc2ccccc21)C(C)(C)C ZINC000417681520 312255786 /nfs/dbraw/zinc/25/57/86/312255786.db2.gz PZDFOBMFKCCGOI-QZTJIDSGSA-N 1 3 346.519 2.539 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417684806 312256466 /nfs/dbraw/zinc/25/64/66/312256466.db2.gz XNLDFEXWRBAQTQ-ROUUACIJSA-N 1 3 348.535 2.914 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000417691864 312257758 /nfs/dbraw/zinc/25/77/58/312257758.db2.gz NLYPUDMTZZBGRU-BRWVUGGUSA-N 1 3 344.503 2.604 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)NCc1ccc2c(c1)CNC2 ZINC000417695199 312257907 /nfs/dbraw/zinc/25/79/07/312257907.db2.gz AFPFQIJTTCIFID-UHFFFAOYSA-N 1 3 344.503 2.745 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000417695948 312258337 /nfs/dbraw/zinc/25/83/37/312258337.db2.gz UYKQNCZIHAOJLG-MDZRGWNJSA-N 1 3 344.503 2.591 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417698631 312258771 /nfs/dbraw/zinc/25/87/71/312258771.db2.gz GTQRGBHWIJDGGH-IRXDYDNUSA-N 1 3 346.519 2.757 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417701377 312258992 /nfs/dbraw/zinc/25/89/92/312258992.db2.gz JJGVUXOTHYKXBZ-WBVHZDCISA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000417702700 312259210 /nfs/dbraw/zinc/25/92/10/312259210.db2.gz KRYBZRAOSXTMDJ-ODIFPOPNSA-N 1 3 332.492 2.685 20 0 EFADHO CCC(CC)(CNC(=O)N1CCCNCC1)[NH2+][C@H](C)c1ccccc1 ZINC000417711451 312260122 /nfs/dbraw/zinc/26/01/22/312260122.db2.gz VQECIHGVQDUPER-QGZVFWFLSA-N 1 3 346.519 2.901 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417811529 312273347 /nfs/dbraw/zinc/27/33/47/312273347.db2.gz DFJAKTLNNKVPAV-ZWKOTPCHSA-N 1 3 327.472 2.980 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417816044 312274062 /nfs/dbraw/zinc/27/40/62/312274062.db2.gz BYUNKCXBEFCFPF-BHIYHBOVSA-N 1 3 346.519 2.570 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417818479 312274581 /nfs/dbraw/zinc/27/45/81/312274581.db2.gz FMUSCTMBTZIFLV-WMZOPIPTSA-N 1 3 346.519 2.523 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417818473 312274804 /nfs/dbraw/zinc/27/48/04/312274804.db2.gz FMUSCTMBTZIFLV-AEFFLSMTSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417827176 312276743 /nfs/dbraw/zinc/27/67/43/312276743.db2.gz CWSMKDMOSXTBSY-NZSAHSFTSA-N 1 3 346.519 2.712 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417831684 312277795 /nfs/dbraw/zinc/27/77/95/312277795.db2.gz IGKXFAVIBHQITF-AEFFLSMTSA-N 1 3 346.519 2.856 20 0 EFADHO CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@H](N)c1ccccc1 ZINC000417834900 312278330 /nfs/dbraw/zinc/27/83/30/312278330.db2.gz VUMYSJBAUACEJM-IPMKNSEASA-N 1 3 337.467 2.666 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000417854707 312282667 /nfs/dbraw/zinc/28/26/67/312282667.db2.gz KDRZKXRDDGKAEE-WMLDXEAASA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000418017111 312309963 /nfs/dbraw/zinc/30/99/63/312309963.db2.gz RZRDMGCEQRIYCO-QXAKKESOSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418024393 312311122 /nfs/dbraw/zinc/31/11/22/312311122.db2.gz CLZOODZRPCJJQQ-SFHVURJKSA-N 1 3 348.535 2.769 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418029442 312312255 /nfs/dbraw/zinc/31/22/55/312312255.db2.gz ITKCSHSEWNXJCJ-QUCCMNQESA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH3+])CC1 ZINC000418038518 312314577 /nfs/dbraw/zinc/31/45/77/312314577.db2.gz SCVHZLIDNXABRK-ACBHZAAOSA-N 1 3 346.519 2.712 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000418040790 312314879 /nfs/dbraw/zinc/31/48/79/312314879.db2.gz WEVJCXQILGDASB-SFHVURJKSA-N 1 3 346.519 2.584 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000418116488 312329322 /nfs/dbraw/zinc/32/93/22/312329322.db2.gz QGQXIGXTVGMSNO-RBUKOAKNSA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418146665 312334549 /nfs/dbraw/zinc/33/45/49/312334549.db2.gz PQXBGDXSOOOJCZ-RBUKOAKNSA-N 1 3 346.519 2.570 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000418162199 312337573 /nfs/dbraw/zinc/33/75/73/312337573.db2.gz CHHXWWLUKHJIGB-BQFCYCMXSA-N 1 3 334.508 2.803 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000418162549 312337583 /nfs/dbraw/zinc/33/75/83/312337583.db2.gz GIHYNKDGVVLPQJ-NUEKZKHPSA-N 1 3 336.480 2.526 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000418163514 312337836 /nfs/dbraw/zinc/33/78/36/312337836.db2.gz DMZQSXOKEVDPND-APWZRJJASA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418183686 312341849 /nfs/dbraw/zinc/34/18/49/312341849.db2.gz OSRGXIWUNOUNIN-SNRMKQJTSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418186533 312342354 /nfs/dbraw/zinc/34/23/54/312342354.db2.gz SCGKBOCOFJQCIZ-MTNOOBJLSA-N 1 3 346.519 2.742 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1)N(C)C ZINC000418186474 312342483 /nfs/dbraw/zinc/34/24/83/312342483.db2.gz RZKLMEVVAZZGSA-LMMKCTJWSA-N 1 3 346.519 2.818 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418189054 312343134 /nfs/dbraw/zinc/34/31/34/312343134.db2.gz HEJPTRDYHPJSLC-QXAKKESOSA-N 1 3 346.519 2.664 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)N(C)C)cc1 ZINC000418191654 312344012 /nfs/dbraw/zinc/34/40/12/312344012.db2.gz LCLZGPRQXWZGRZ-RBUKOAKNSA-N 1 3 346.519 2.524 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418192818 312344162 /nfs/dbraw/zinc/34/41/62/312344162.db2.gz YWZJUZKMVIWFJS-LAQRGFTBSA-N 1 3 332.492 2.589 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C ZINC000418193733 312344393 /nfs/dbraw/zinc/34/43/93/312344393.db2.gz ZQUJOPDHUZXVNQ-SCTDSRPQSA-N 1 3 346.519 2.757 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418209780 312347494 /nfs/dbraw/zinc/34/74/94/312347494.db2.gz FTABYYJQHHPUQG-IEBWSBKVSA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N(CC)CC)cc1 ZINC000418212753 312347692 /nfs/dbraw/zinc/34/76/92/312347692.db2.gz JTVNDDAKJXFVSI-KRWDZBQOSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418220521 312349053 /nfs/dbraw/zinc/34/90/53/312349053.db2.gz UUUZZXXNUCMAPX-MAUKXSAKSA-N 1 3 334.508 2.526 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000418242455 312352478 /nfs/dbraw/zinc/35/24/78/312352478.db2.gz VAXMLFJOCQPNAK-IRXDYDNUSA-N 1 3 326.529 2.512 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342891 312362338 /nfs/dbraw/zinc/36/23/38/312362338.db2.gz QKDROFJUIXUFQV-PBWTXFEYSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420343297 312362988 /nfs/dbraw/zinc/36/29/88/312362988.db2.gz QMXQWVQATBXCNT-YSIASYRMSA-N 1 3 343.515 2.802 20 0 EFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344439 312363536 /nfs/dbraw/zinc/36/35/36/312363536.db2.gz SYCMIIWXZVWLSF-BZSNNMDCSA-N 1 3 329.488 2.750 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000420356780 312364287 /nfs/dbraw/zinc/36/42/87/312364287.db2.gz GJPCBDJXTQCYDQ-AWEZNQCLSA-N 1 3 345.256 2.945 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2ccsc2)CC1 ZINC000420357215 312364310 /nfs/dbraw/zinc/36/43/10/312364310.db2.gz HRLPFJBGUFLHHX-OALUTQOASA-N 1 3 330.497 2.858 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000420766522 312386158 /nfs/dbraw/zinc/38/61/58/312386158.db2.gz SEARQHXVLOGKED-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000420766522 312386160 /nfs/dbraw/zinc/38/61/60/312386160.db2.gz SEARQHXVLOGKED-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCCN1C ZINC000420769855 312387236 /nfs/dbraw/zinc/38/72/36/312387236.db2.gz YEJXHUKFDQIGQK-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792767 312391443 /nfs/dbraw/zinc/39/14/43/312391443.db2.gz PYKRVGKTDKKGKV-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792767 312391445 /nfs/dbraw/zinc/39/14/45/312391445.db2.gz PYKRVGKTDKKGKV-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000423351850 312414572 /nfs/dbraw/zinc/41/45/72/312414572.db2.gz JCJMXLXPEKWECC-GXTWGEPZSA-N 1 3 339.867 2.607 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000423375336 312417217 /nfs/dbraw/zinc/41/72/17/312417217.db2.gz IQFHLHYPRALIMB-GJYPPUQNSA-N 1 3 331.504 2.948 20 0 EFADHO CC1(C)C[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423377893 312417888 /nfs/dbraw/zinc/41/78/88/312417888.db2.gz FQUSPUSTOISIIH-HZPDHXFCSA-N 1 3 341.421 2.835 20 0 EFADHO CCOc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423394234 312419188 /nfs/dbraw/zinc/41/91/88/312419188.db2.gz RSLXIUMPCSAQPC-XJKSGUPXSA-N 1 3 345.409 2.572 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763120 312450210 /nfs/dbraw/zinc/45/02/10/312450210.db2.gz UGHLWIUDZAFLCZ-GOSISDBHSA-N 1 3 349.906 2.907 20 0 EFADHO C[C@@H]1C[C@@H](C)N(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424081175 312508939 /nfs/dbraw/zinc/50/89/39/312508939.db2.gz WISDZGSZJOULGW-MBOZVWFJSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457930116 313042143 /nfs/dbraw/zinc/04/21/43/313042143.db2.gz KMAWHBBVWKESSY-SJORKVTESA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457930116 313042145 /nfs/dbraw/zinc/04/21/45/313042145.db2.gz KMAWHBBVWKESSY-SJORKVTESA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000458058518 313064215 /nfs/dbraw/zinc/06/42/15/313064215.db2.gz ZXUGQYUDKRNGQG-INIZCTEOSA-N 1 3 326.529 2.526 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458228749 313089174 /nfs/dbraw/zinc/08/91/74/313089174.db2.gz DYPYWYGQJNQSKA-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458228749 313089176 /nfs/dbraw/zinc/08/91/76/313089176.db2.gz DYPYWYGQJNQSKA-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO FC(F)(F)c1ccc(OCCNC2CC[NH+](C3CC3)CC2)nc1 ZINC000459447781 313108727 /nfs/dbraw/zinc/10/87/27/313108727.db2.gz VBXLKFCCRQGLAC-UHFFFAOYSA-N 1 3 329.366 2.696 20 0 EFADHO Cc1nn(C)cc1CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472348507 313187772 /nfs/dbraw/zinc/18/77/72/313187772.db2.gz QKEKYIRYNVQORQ-QUCCMNQESA-N 1 3 326.488 2.901 20 0 EFADHO CCCN(C)CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473281499 313197336 /nfs/dbraw/zinc/19/73/36/313197336.db2.gz ZOTBXEOBLMGLTB-IRXDYDNUSA-N 1 3 331.504 2.601 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146002 313219045 /nfs/dbraw/zinc/21/90/45/313219045.db2.gz TXOMUWIHUFNZFE-QZTJIDSGSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146002 313219047 /nfs/dbraw/zinc/21/90/47/313219047.db2.gz TXOMUWIHUFNZFE-QZTJIDSGSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146005 313219096 /nfs/dbraw/zinc/21/90/96/313219096.db2.gz TXOMUWIHUFNZFE-ZWKOTPCHSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146005 313219098 /nfs/dbraw/zinc/21/90/98/313219098.db2.gz TXOMUWIHUFNZFE-ZWKOTPCHSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477940573 313246895 /nfs/dbraw/zinc/24/68/95/313246895.db2.gz RLVYJIOBGKYYTD-SFHVURJKSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477940573 313246897 /nfs/dbraw/zinc/24/68/97/313246897.db2.gz RLVYJIOBGKYYTD-SFHVURJKSA-N 1 3 345.531 2.836 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000479373561 313266933 /nfs/dbraw/zinc/26/69/33/313266933.db2.gz BDWKYMKXXUEUNX-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000479373561 313266934 /nfs/dbraw/zinc/26/69/34/313266934.db2.gz BDWKYMKXXUEUNX-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCCCC2)[C@H](C)C1 ZINC000480088663 313278587 /nfs/dbraw/zinc/27/85/87/313278587.db2.gz IRRPUCMBTJZPOV-RTBURBONSA-N 1 3 339.568 2.978 20 0 EFADHO Cc1c[nH+]ccc1NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000480054663 313279011 /nfs/dbraw/zinc/27/90/11/313279011.db2.gz LCMUSRWACOXWFR-UHFFFAOYSA-N 1 3 329.419 2.906 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000486614590 313341181 /nfs/dbraw/zinc/34/11/81/313341181.db2.gz KPXAMNPJDMZENL-PNYFIKQUSA-N 1 3 348.535 2.988 20 0 EFADHO COC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000492549914 314034602 /nfs/dbraw/zinc/03/46/02/314034602.db2.gz FVVRWXAXEHTHGY-OAHLLOKOSA-N 1 3 337.508 2.850 20 0 EFADHO CC1CCN([C@H](CNC(=O)/C=C\C[NH+](C)C)c2ccccc2)CC1 ZINC000492972227 314197051 /nfs/dbraw/zinc/19/70/51/314197051.db2.gz JIBHJKPGORMAJB-JNLAIUADSA-N 1 3 329.488 2.694 20 0 EFADHO O=C(/C=C\c1ccccc1)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000493426632 314352807 /nfs/dbraw/zinc/35/28/07/314352807.db2.gz QHFUFERWIGCKCR-WHTJEGFJSA-N 1 3 341.499 2.716 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000493473515 314369589 /nfs/dbraw/zinc/36/95/89/314369589.db2.gz NICGVVMGPCAWBD-HRCADAONSA-N 1 3 327.513 2.856 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000493473515 314369591 /nfs/dbraw/zinc/36/95/91/314369591.db2.gz NICGVVMGPCAWBD-HRCADAONSA-N 1 3 327.513 2.856 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(CCC[NH+]3CCCC3)C[C@H]2C1 ZINC000496273098 315007576 /nfs/dbraw/zinc/00/75/76/315007576.db2.gz ISNMFZYVIBDZCC-IRXDYDNUSA-N 1 3 337.508 2.661 20 0 EFADHO C[C@@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)CN(C)C ZINC000496343444 315034006 /nfs/dbraw/zinc/03/40/06/315034006.db2.gz MQBDPXKHQVWWQB-FHERZECASA-N 1 3 327.513 2.857 20 0 EFADHO O=C(OCc1ccccc1)N1CCC(NCC[C@H]2CCC[NH2+]2)CC1 ZINC000496436468 315066422 /nfs/dbraw/zinc/06/64/22/315066422.db2.gz QEKOMNNMVOSSFU-QGZVFWFLSA-N 1 3 331.460 2.519 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477301 315081088 /nfs/dbraw/zinc/08/10/88/315081088.db2.gz SNKWTWVIKPWUQG-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477301 315081089 /nfs/dbraw/zinc/08/10/89/315081089.db2.gz SNKWTWVIKPWUQG-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477301 315081093 /nfs/dbraw/zinc/08/10/93/315081093.db2.gz SNKWTWVIKPWUQG-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO COC(=O)N1CCC([C@H](C)N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000496480496 315082735 /nfs/dbraw/zinc/08/27/35/315082735.db2.gz LADMKLUUBGPJKU-VYDXJSESSA-N 1 3 325.497 2.754 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)CC(C)C ZINC000496741622 315178233 /nfs/dbraw/zinc/17/82/33/315178233.db2.gz QTZIMGRWPOYBDE-YLFCFFPRSA-N 1 3 325.497 2.658 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496758084 315184883 /nfs/dbraw/zinc/18/48/83/315184883.db2.gz LLBNOILBBKRLNK-MAUKXSAKSA-N 1 3 331.460 2.518 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000496812007 315204918 /nfs/dbraw/zinc/20/49/18/315204918.db2.gz WFJMUOLGDYCURP-CVEARBPZSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000496812007 315204922 /nfs/dbraw/zinc/20/49/22/315204922.db2.gz WFJMUOLGDYCURP-CVEARBPZSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000496812007 315204924 /nfs/dbraw/zinc/20/49/24/315204924.db2.gz WFJMUOLGDYCURP-CVEARBPZSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817823 315207296 /nfs/dbraw/zinc/20/72/96/315207296.db2.gz HHGHUKSAOWIQKC-FHERZECASA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817823 315207299 /nfs/dbraw/zinc/20/72/99/315207299.db2.gz HHGHUKSAOWIQKC-FHERZECASA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817823 315207302 /nfs/dbraw/zinc/20/73/02/315207302.db2.gz HHGHUKSAOWIQKC-FHERZECASA-N 1 3 325.497 2.752 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496846450 315217958 /nfs/dbraw/zinc/21/79/58/315217958.db2.gz LNJUPXHDKAROQD-IEBWSBKVSA-N 1 3 345.487 2.895 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@H]1CCCN1C ZINC000496962242 315259285 /nfs/dbraw/zinc/25/92/85/315259285.db2.gz YZOKPKVPVKPFSP-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497011510 315277167 /nfs/dbraw/zinc/27/71/67/315277167.db2.gz QEKSOJYRSSFICN-QFBILLFUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1 ZINC000497282722 315378104 /nfs/dbraw/zinc/37/81/04/315378104.db2.gz MHHXEKLIMNIKLJ-BRWVUGGUSA-N 1 3 331.460 2.770 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497292181 315381898 /nfs/dbraw/zinc/38/18/98/315381898.db2.gz HORIWCFGBCGIRE-FCEWJHQRSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497292181 315381902 /nfs/dbraw/zinc/38/19/02/315381902.db2.gz HORIWCFGBCGIRE-FCEWJHQRSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000501931651 315430893 /nfs/dbraw/zinc/43/08/93/315430893.db2.gz VSOZDVZSGKAJEM-YLJYHZDGSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000514848165 315568964 /nfs/dbraw/zinc/56/89/64/315568964.db2.gz ITQSZKZDNWDCGG-SJORKVTESA-N 1 3 344.503 2.511 20 0 EFADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000515483286 315621442 /nfs/dbraw/zinc/62/14/42/315621442.db2.gz HLNPTHKEJUUDIS-HSALFYBXSA-N 1 3 339.487 2.727 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000518396998 315811105 /nfs/dbraw/zinc/81/11/05/315811105.db2.gz LNNGSIMUACGHCX-WFASDCNBSA-N 1 3 345.409 2.812 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000519347898 315856546 /nfs/dbraw/zinc/85/65/46/315856546.db2.gz DHWMHLJRDZPAFV-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000519603340 315880039 /nfs/dbraw/zinc/88/00/39/315880039.db2.gz CWMCKIDAJBTVJS-FQEVSTJZSA-N 1 3 343.515 2.881 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N(C)C)cc1 ZINC000520086065 315932909 /nfs/dbraw/zinc/93/29/09/315932909.db2.gz SMEFEGSFRFXIDD-IBGZPJMESA-N 1 3 348.535 2.827 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000521216974 316007839 /nfs/dbraw/zinc/00/78/39/316007839.db2.gz YMBDBSNJGBAXLK-IAGOWNOFSA-N 1 3 344.503 2.511 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000521462515 316025927 /nfs/dbraw/zinc/02/59/27/316025927.db2.gz KCRSRCRUELJINK-KFWWJZLASA-N 1 3 338.293 2.887 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000521785485 316042731 /nfs/dbraw/zinc/04/27/31/316042731.db2.gz RVEMGMYBXQAVKH-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000521785485 316042733 /nfs/dbraw/zinc/04/27/33/316042733.db2.gz RVEMGMYBXQAVKH-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000522455195 316091140 /nfs/dbraw/zinc/09/11/40/316091140.db2.gz VRRQILYWYPVVDJ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000522605980 316093548 /nfs/dbraw/zinc/09/35/48/316093548.db2.gz VPNLGAPDLRUHKC-MRXNPFEDSA-N 1 3 328.545 2.582 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156048 316148235 /nfs/dbraw/zinc/14/82/35/316148235.db2.gz DODUOHVQMRMXJJ-IBGZPJMESA-N 1 3 334.504 2.787 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156048 316148237 /nfs/dbraw/zinc/14/82/37/316148237.db2.gz DODUOHVQMRMXJJ-IBGZPJMESA-N 1 3 334.504 2.787 20 0 EFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000524370331 316155409 /nfs/dbraw/zinc/15/54/09/316155409.db2.gz DXHHOZRYRACDNO-FQEVSTJZSA-N 1 3 342.483 2.853 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000524370332 316155799 /nfs/dbraw/zinc/15/57/99/316155799.db2.gz DXHHOZRYRACDNO-HXUWFJFHSA-N 1 3 342.483 2.853 20 0 EFADHO C[C@@H](CCC1CCCCC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524921044 316181833 /nfs/dbraw/zinc/18/18/33/316181833.db2.gz PWHBDYBLOQRXBZ-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525437814 316214791 /nfs/dbraw/zinc/21/47/91/316214791.db2.gz BOQCEDIDFBFEAX-MSOLQXFVSA-N 1 3 340.556 2.726 20 0 EFADHO c1ccc(CN2CC[C@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000525997343 316271963 /nfs/dbraw/zinc/27/19/63/316271963.db2.gz GYKKOFKCTBNECN-HXUWFJFHSA-N 1 3 327.516 2.973 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000527348323 316372001 /nfs/dbraw/zinc/37/20/01/316372001.db2.gz PKEHPISROOZSEK-HKUYNNGSSA-N 1 3 327.476 2.649 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000527348323 316372005 /nfs/dbraw/zinc/37/20/05/316372005.db2.gz PKEHPISROOZSEK-HKUYNNGSSA-N 1 3 327.476 2.649 20 0 EFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccc(F)cn2)CC1 ZINC000529532948 316910418 /nfs/dbraw/zinc/91/04/18/316910418.db2.gz QOJSAIJPQCUMQH-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530030807 317033645 /nfs/dbraw/zinc/03/36/45/317033645.db2.gz WNYAFNWWSJUADT-QFBILLFUSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530030807 317033647 /nfs/dbraw/zinc/03/36/47/317033647.db2.gz WNYAFNWWSJUADT-QFBILLFUSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]([C@@H]1CC[NH2+]C1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530213715 317082445 /nfs/dbraw/zinc/08/24/45/317082445.db2.gz VPLXIZCQAZARTC-RHSMWYFYSA-N 1 3 332.492 2.980 20 0 EFADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530221309 317084422 /nfs/dbraw/zinc/08/44/22/317084422.db2.gz PBQYHNSUMXXQTG-GBESFXJTSA-N 1 3 345.462 2.905 20 0 EFADHO CO[C@H](CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000530224969 317084666 /nfs/dbraw/zinc/08/46/66/317084666.db2.gz NJHLGTRSQPSYRL-OTWHNJEPSA-N 1 3 336.451 2.732 20 0 EFADHO Fc1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530242926 317089540 /nfs/dbraw/zinc/08/95/40/317089540.db2.gz VUFJMRHGOSFUNL-KRWDZBQOSA-N 1 3 343.446 2.964 20 0 EFADHO c1ccc2ncc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530241791 317089681 /nfs/dbraw/zinc/08/96/81/317089681.db2.gz RJZRZCWWIHHDRH-IBGZPJMESA-N 1 3 325.456 2.825 20 0 EFADHO CN(c1ccccc1CN[C@@H]1CC[NH2+]C12CCC2)C1CCN(C)CC1 ZINC000530245456 317090462 /nfs/dbraw/zinc/09/04/62/317090462.db2.gz XXRKCZRKZKLYDM-HXUWFJFHSA-N 1 3 342.531 2.591 20 0 EFADHO CN(c1ccccc1CN[C@H]1CC[NH2+]C12CCC2)C1CCN(C)CC1 ZINC000530245454 317090654 /nfs/dbraw/zinc/09/06/54/317090654.db2.gz XXRKCZRKZKLYDM-FQEVSTJZSA-N 1 3 342.531 2.591 20 0 EFADHO c1ccc2c(c1)C=C(CN1CCC(CO[C@@H]3CC[NH2+]C3)CC1)CO2 ZINC000530248103 317091244 /nfs/dbraw/zinc/09/12/44/317091244.db2.gz FZFGHQKSECNSLQ-LJQANCHMSA-N 1 3 328.456 2.553 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000531123004 317222767 /nfs/dbraw/zinc/22/27/67/317222767.db2.gz QXSKFEMPEVLTOC-IBGZPJMESA-N 1 3 346.519 2.532 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-n3cccn3)c2)C[C@@H](C)O1 ZINC000531612357 317289967 /nfs/dbraw/zinc/28/99/67/317289967.db2.gz MSFVUGLXLKWYAZ-QZTJIDSGSA-N 1 3 342.487 2.851 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000531704644 317302121 /nfs/dbraw/zinc/30/21/21/317302121.db2.gz YXJXCOJTGHJQCX-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000531704643 317302155 /nfs/dbraw/zinc/30/21/55/317302155.db2.gz YXJXCOJTGHJQCX-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO CC(C)[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000531969784 317337759 /nfs/dbraw/zinc/33/77/59/317337759.db2.gz SPAQYKMPHMHASB-WOJBJXKFSA-N 1 3 343.515 2.908 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000540597785 317747708 /nfs/dbraw/zinc/74/77/08/317747708.db2.gz ZBGOAUQGIALKMW-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000544574535 317890019 /nfs/dbraw/zinc/89/00/19/317890019.db2.gz XVPVNWFACQLIOO-HNNXBMFYSA-N 1 3 333.476 2.580 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCCC[NH+]1CCCCC1 ZINC000551419638 318207291 /nfs/dbraw/zinc/20/72/91/318207291.db2.gz PBZOAIAMPJZYNZ-PKOBYXMFSA-N 1 3 332.488 2.872 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000551572553 318210266 /nfs/dbraw/zinc/21/02/66/318210266.db2.gz VGBWWDFYYBJDAF-OXQOHEQNSA-N 1 3 344.499 2.871 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000552047058 318240119 /nfs/dbraw/zinc/24/01/19/318240119.db2.gz YQSHPUPXORJSFU-QAPCUYQASA-N 1 3 340.458 2.968 20 0 EFADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000553061102 318269527 /nfs/dbraw/zinc/26/95/27/318269527.db2.gz UFIUERDZJWBQEH-QGZVFWFLSA-N 1 3 331.504 2.641 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3F)CC2)CC1 ZINC000553174345 318273778 /nfs/dbraw/zinc/27/37/78/318273778.db2.gz QORWINYOCNNODR-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3sccc3C)CC2)CC1 ZINC000553382686 318281235 /nfs/dbraw/zinc/28/12/35/318281235.db2.gz VCNQKNOZUNZRPE-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000554216297 318303924 /nfs/dbraw/zinc/30/39/24/318303924.db2.gz CQNCXJSNHBOLCI-FUHWJXTLSA-N 1 3 334.508 2.627 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554264057 318305718 /nfs/dbraw/zinc/30/57/18/318305718.db2.gz LIXBVXNPEYARCB-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554264057 318305721 /nfs/dbraw/zinc/30/57/21/318305721.db2.gz LIXBVXNPEYARCB-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000556381224 318388714 /nfs/dbraw/zinc/38/87/14/318388714.db2.gz AKORRPCCDHLJNM-IBGZPJMESA-N 1 3 348.531 2.997 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000556609357 318394894 /nfs/dbraw/zinc/39/48/94/318394894.db2.gz RRAVASMKWKSXQT-LPHOPBHVSA-N 1 3 332.488 2.869 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000556952663 318420867 /nfs/dbraw/zinc/42/08/67/318420867.db2.gz HZWRJHUWDMTJEF-XRMLZUONSA-N 1 3 349.841 2.665 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CCNC2 ZINC000562768273 318697971 /nfs/dbraw/zinc/69/79/71/318697971.db2.gz ZTVJSMUWRKTGOI-AWEZNQCLSA-N 1 3 330.476 2.526 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000562797087 318701129 /nfs/dbraw/zinc/70/11/29/318701129.db2.gz UBKDFQICHVTWCG-OALUTQOASA-N 1 3 344.503 2.655 20 0 EFADHO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000563442870 318785919 /nfs/dbraw/zinc/78/59/19/318785919.db2.gz BCTIQQDBLCLJRZ-IEBWSBKVSA-N 1 3 333.520 2.917 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000563588293 318799458 /nfs/dbraw/zinc/79/94/58/318799458.db2.gz ZGXQSRTVXRUNCU-FGTMMUONSA-N 1 3 329.488 2.561 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CNCc2ccccc21 ZINC000564925035 318911821 /nfs/dbraw/zinc/91/18/21/318911821.db2.gz BKGGYUDTCLLJTD-HXUWFJFHSA-N 1 3 341.499 2.787 20 0 EFADHO CC(C)(C(=O)NC[C@H]1NCCc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000565352883 318961442 /nfs/dbraw/zinc/96/14/42/318961442.db2.gz JJQZIFODFCGUNY-MOPGFXCFSA-N 1 3 337.467 2.716 20 0 EFADHO O=C(CC[NH2+]C1CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000565665238 318991615 /nfs/dbraw/zinc/99/16/15/318991615.db2.gz DKVLLRVGFJWEJG-UHFFFAOYSA-N 1 3 349.906 2.907 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)C1=CCN(C)CC1 ZINC000565771099 319000891 /nfs/dbraw/zinc/00/08/91/319000891.db2.gz XWCCGKFMFLKRCV-QFBILLFUSA-N 1 3 340.467 2.820 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Cl)c1F)C1CC1 ZINC000565888178 319012392 /nfs/dbraw/zinc/01/23/92/319012392.db2.gz JGBHFRHLTVYVFC-ZDUSSCGKSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1cccc(Cl)c1F)C1CC1 ZINC000565888178 319012394 /nfs/dbraw/zinc/01/23/94/319012394.db2.gz JGBHFRHLTVYVFC-ZDUSSCGKSA-N 1 3 328.859 2.801 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000566194462 319046111 /nfs/dbraw/zinc/04/61/11/319046111.db2.gz XRHLMCHEXQKMEF-JZXOWHBKSA-N 1 3 332.492 2.557 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnccc3C)CC2)CC1 ZINC000566437091 319075567 /nfs/dbraw/zinc/07/55/67/319075567.db2.gz WKVRCPTVRSQIOX-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000566447913 319077525 /nfs/dbraw/zinc/07/75/25/319077525.db2.gz PXTOPVFWZPPQHN-LPHOPBHVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H]1CC[C@H](C)N1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566449044 319077604 /nfs/dbraw/zinc/07/76/04/319077604.db2.gz PAQBBXJGNVAKFA-WMZOPIPTSA-N 1 3 335.536 2.972 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(F)F)C(C)C)CC2)CC1 ZINC000566867263 319118370 /nfs/dbraw/zinc/11/83/70/319118370.db2.gz ZRTTZJUONNNVGB-UHFFFAOYSA-N 1 3 345.478 2.685 20 0 EFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CC[NH3+])CC1 ZINC000566919425 319122151 /nfs/dbraw/zinc/12/21/51/319122151.db2.gz RWEXNRHGLZJENQ-UYIIGHAYSA-N 1 3 333.520 2.521 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000567045309 319133572 /nfs/dbraw/zinc/13/35/72/319133572.db2.gz CUZYTLQGOCCMBT-GOSISDBHSA-N 1 3 331.504 2.575 20 0 EFADHO CCOC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000567103921 319138764 /nfs/dbraw/zinc/13/87/64/319138764.db2.gz YHLYIQHEJWPBSA-FQEVSTJZSA-N 1 3 342.483 2.902 20 0 EFADHO CCc1nc2cc(CN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000567639777 319191533 /nfs/dbraw/zinc/19/15/33/319191533.db2.gz WCIWDWBHBAQPQJ-KBRIMQKVSA-N 1 3 342.487 2.776 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]CC3(O)CCCC3)CC2)cc1 ZINC000567681239 319196544 /nfs/dbraw/zinc/19/65/44/319196544.db2.gz NCAFQMLTIATODB-UHFFFAOYSA-N 1 3 332.488 2.802 20 0 EFADHO Cc1cc2ncn(C[C@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C)c2cc1C ZINC000567689384 319198043 /nfs/dbraw/zinc/19/80/43/319198043.db2.gz JGLDPSMLJAYFSX-DLBZAZTESA-N 1 3 346.519 2.580 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCCC[NH2+]3)c2)CC1 ZINC000567909722 319225165 /nfs/dbraw/zinc/22/51/65/319225165.db2.gz PUSIDMHVOVOHAO-IBGZPJMESA-N 1 3 344.503 2.688 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000567965562 319231282 /nfs/dbraw/zinc/23/12/82/319231282.db2.gz OSEQGUIZYAMTFU-WBVHZDCISA-N 1 3 335.517 2.609 20 0 EFADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](N)c4ccccc43)C2)ncn1 ZINC000568075248 319244504 /nfs/dbraw/zinc/24/45/04/319244504.db2.gz HMDSAEQBENIREX-KFKAGJAMSA-N 1 3 337.471 2.742 20 0 EFADHO OC[C@@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000568347001 319272755 /nfs/dbraw/zinc/27/27/55/319272755.db2.gz LGRTTZJQFXTTKJ-PMACEKPBSA-N 1 3 332.463 2.756 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000568383855 319278010 /nfs/dbraw/zinc/27/80/10/319278010.db2.gz MGLAKYCBVOUATM-RBUKOAKNSA-N 1 3 334.504 2.753 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000568383489 319278101 /nfs/dbraw/zinc/27/81/01/319278101.db2.gz OCCBSQLDTGUVMJ-CXAGYDPISA-N 1 3 342.405 2.849 20 0 EFADHO COc1cc2nccc(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2cc1OC ZINC000568484964 319288154 /nfs/dbraw/zinc/28/81/54/319288154.db2.gz XXHBESCXBNJDNN-AWEZNQCLSA-N 1 3 329.444 2.816 20 0 EFADHO COc1cc2nccc(NC[C@@H]3CC[N@H+](C(C)C)C3)c2cc1OC ZINC000568484964 319288155 /nfs/dbraw/zinc/28/81/55/319288155.db2.gz XXHBESCXBNJDNN-AWEZNQCLSA-N 1 3 329.444 2.816 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCC2 ZINC000568582549 319296262 /nfs/dbraw/zinc/29/62/62/319296262.db2.gz QENXHOYFOYUETC-LJQANCHMSA-N 1 3 346.519 2.507 20 0 EFADHO CC(C)(C(=O)Nc1ccc2c(c1)CNCCO2)[C@H]([NH3+])c1ccccc1 ZINC000568608624 319300855 /nfs/dbraw/zinc/30/08/55/319300855.db2.gz PBZMQOURJYXBJO-GOSISDBHSA-N 1 3 339.439 2.833 20 0 EFADHO CC(C)[C@H](O)C1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000568740829 319314053 /nfs/dbraw/zinc/31/40/53/319314053.db2.gz WMTMUXWFRGRMDA-XKGZKEIXSA-N 1 3 330.472 2.629 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3C(C)(C)C3(C)C)CC2)CC1 ZINC000568880942 319327867 /nfs/dbraw/zinc/32/78/67/319327867.db2.gz LZHIFKDANCOAQZ-UHFFFAOYSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000568920954 319330580 /nfs/dbraw/zinc/33/05/80/319330580.db2.gz QRWIDOWEFDAJFT-BBWFWOEESA-N 1 3 348.491 2.589 20 0 EFADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000569075225 319344788 /nfs/dbraw/zinc/34/47/88/319344788.db2.gz WPBLLSSOXQFSIU-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000569110096 319349523 /nfs/dbraw/zinc/34/95/23/319349523.db2.gz DWDCOWGGKARTNL-IAGOWNOFSA-N 1 3 345.487 2.618 20 0 EFADHO CC[NH2+]CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000569695226 319405636 /nfs/dbraw/zinc/40/56/36/319405636.db2.gz LUAXLXAZTDHJQZ-INIZCTEOSA-N 1 3 332.492 2.511 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000570292848 319463508 /nfs/dbraw/zinc/46/35/08/319463508.db2.gz RIOFNPRPRSJQDE-IBGZPJMESA-N 1 3 329.488 2.718 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1cncc(Br)c1 ZINC000570816963 319516314 /nfs/dbraw/zinc/51/63/14/319516314.db2.gz XYKTVGAMUBSJOU-CYBMUJFWSA-N 1 3 344.297 2.853 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000571399659 319570572 /nfs/dbraw/zinc/57/05/72/319570572.db2.gz CXAZTRKSTPMONS-AEFFLSMTSA-N 1 3 349.544 2.984 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000571407769 319571775 /nfs/dbraw/zinc/57/17/75/319571775.db2.gz KWQZHMORCUTXDF-SFHVURJKSA-N 1 3 344.503 2.536 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000572226145 319648156 /nfs/dbraw/zinc/64/81/56/319648156.db2.gz GIRGAHCCDXTCPJ-UHOSZYNNSA-N 1 3 344.503 2.592 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000572541671 319680901 /nfs/dbraw/zinc/68/09/01/319680901.db2.gz FYVKYPVUZWSETI-IJLUTSLNSA-N 1 3 333.259 2.593 20 0 EFADHO CC(C)(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@H](N)c1ccccc1 ZINC000574862026 319901242 /nfs/dbraw/zinc/90/12/42/319901242.db2.gz UVIXCBGSFBGZBZ-CRAIPNDOSA-N 1 3 338.455 2.562 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(COCc2ccco2)c1 ZINC000575373009 319942750 /nfs/dbraw/zinc/94/27/50/319942750.db2.gz VGHVEIVECDKLOG-BEVDRBHNSA-N 1 3 344.455 2.838 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)N2CCCNCC2)CCCC1)c1ccccc1 ZINC000575780605 319953418 /nfs/dbraw/zinc/95/34/18/319953418.db2.gz LMTWPMWGFCVQAY-KRWDZBQOSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000576277625 320000831 /nfs/dbraw/zinc/00/08/31/320000831.db2.gz JQGOBFIVQAUJGG-YNVMFWSZSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000576277625 320000832 /nfs/dbraw/zinc/00/08/32/320000832.db2.gz JQGOBFIVQAUJGG-YNVMFWSZSA-N 1 3 341.499 2.737 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000576782811 320048122 /nfs/dbraw/zinc/04/81/22/320048122.db2.gz OLGVAPZCWGCGQZ-QGZVFWFLSA-N 1 3 337.533 2.859 20 0 EFADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000576886716 320057693 /nfs/dbraw/zinc/05/76/93/320057693.db2.gz NNDAFJYQQOZSDU-YRPNKDGESA-N 1 3 331.504 2.526 20 0 EFADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000576886724 320057709 /nfs/dbraw/zinc/05/77/09/320057709.db2.gz NNDAFJYQQOZSDU-ZRNYENFQSA-N 1 3 331.504 2.526 20 0 EFADHO c1ccc(C[C@@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000577601888 320125885 /nfs/dbraw/zinc/12/58/85/320125885.db2.gz ALEGRCJGIOENHM-ZWKOTPCHSA-N 1 3 339.487 2.773 20 0 EFADHO [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000577601157 320126127 /nfs/dbraw/zinc/12/61/27/320126127.db2.gz BFFDRMNGDRXUHE-QGZVFWFLSA-N 1 3 346.475 2.506 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622129 320128754 /nfs/dbraw/zinc/12/87/54/320128754.db2.gz WCQBTUYRXAQBFN-CZUORRHYSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622129 320128756 /nfs/dbraw/zinc/12/87/56/320128756.db2.gz WCQBTUYRXAQBFN-CZUORRHYSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622129 320128759 /nfs/dbraw/zinc/12/87/59/320128759.db2.gz WCQBTUYRXAQBFN-CZUORRHYSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1 ZINC000577741471 320140060 /nfs/dbraw/zinc/14/00/60/320140060.db2.gz MMTMHRYHSRLXPW-HXUWFJFHSA-N 1 3 332.488 2.561 20 0 EFADHO CC(C)[NH2+]CCCNC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000578004914 320164320 /nfs/dbraw/zinc/16/43/20/320164320.db2.gz MSBQYKIBGZRFMR-UHFFFAOYSA-N 1 3 337.895 2.922 20 0 EFADHO CC(C)NCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000578004914 320164323 /nfs/dbraw/zinc/16/43/23/320164323.db2.gz MSBQYKIBGZRFMR-UHFFFAOYSA-N 1 3 337.895 2.922 20 0 EFADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000578461634 320208668 /nfs/dbraw/zinc/20/86/68/320208668.db2.gz CARSZGKNCWTURJ-VQIMIIECSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCC1 ZINC000578502228 320211843 /nfs/dbraw/zinc/21/18/43/320211843.db2.gz ZYMHQULSEXAZEN-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(CC)CC ZINC000181467438 323235742 /nfs/dbraw/zinc/23/57/42/323235742.db2.gz CYYJPVFEDHLELY-MSOLQXFVSA-N 1 3 325.541 2.586 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1(C)C ZINC000181492455 323236635 /nfs/dbraw/zinc/23/66/35/323236635.db2.gz LSSNJZRBGWDRJK-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(CC)CC ZINC000181704689 323245409 /nfs/dbraw/zinc/24/54/09/323245409.db2.gz ZFXCDTSAVDOLFK-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730588 323246750 /nfs/dbraw/zinc/24/67/50/323246750.db2.gz WMRYPSSXUCIJMQ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730588 323246751 /nfs/dbraw/zinc/24/67/51/323246751.db2.gz WMRYPSSXUCIJMQ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730588 323246756 /nfs/dbraw/zinc/24/67/56/323246756.db2.gz WMRYPSSXUCIJMQ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730588 323246759 /nfs/dbraw/zinc/24/67/59/323246759.db2.gz WMRYPSSXUCIJMQ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C[C@H]1OC ZINC000182091440 323263190 /nfs/dbraw/zinc/26/31/90/323263190.db2.gz JBONISZFDXLOGQ-IAGOWNOFSA-N 1 3 335.492 2.705 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC(CCC[NH+](C)C)CC1 ZINC000182384437 323280670 /nfs/dbraw/zinc/28/06/70/323280670.db2.gz JPPNZEVDMSMHSS-UHFFFAOYSA-N 1 3 348.487 2.906 20 0 EFADHO Cc1cc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000185691379 323394945 /nfs/dbraw/zinc/39/49/45/323394945.db2.gz TXADBSOAPFQPJY-HUUCEWRRSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000185691379 323394951 /nfs/dbraw/zinc/39/49/51/323394951.db2.gz TXADBSOAPFQPJY-HUUCEWRRSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)no1 ZINC000185691379 323394955 /nfs/dbraw/zinc/39/49/55/323394955.db2.gz TXADBSOAPFQPJY-HUUCEWRRSA-N 1 3 334.464 2.554 20 0 EFADHO C[C@H]1CSC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000296564056 323558174 /nfs/dbraw/zinc/55/81/74/323558174.db2.gz VMDUFRLESDXNSE-PKOBYXMFSA-N 1 3 333.545 2.930 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000399730867 323797050 /nfs/dbraw/zinc/79/70/50/323797050.db2.gz LVNHEYPXZYJKHX-QFBILLFUSA-N 1 3 346.519 2.695 20 0 EFADHO C[C@H](CNC[C@H](O)CO[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000579701080 324014162 /nfs/dbraw/zinc/01/41/62/324014162.db2.gz VSLJMGBJBAQWHE-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)CN1CCCC1 ZINC000579701080 324014167 /nfs/dbraw/zinc/01/41/67/324014167.db2.gz VSLJMGBJBAQWHE-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H](CNC[C@@H](O)CO[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000579701081 324014436 /nfs/dbraw/zinc/01/44/36/324014436.db2.gz VSLJMGBJBAQWHE-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)CN1CCCC1 ZINC000579701081 324014439 /nfs/dbraw/zinc/01/44/39/324014439.db2.gz VSLJMGBJBAQWHE-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC3(C)C)CC2)CC1 ZINC000579819421 324038154 /nfs/dbraw/zinc/03/81/54/324038154.db2.gz GSEYUEZCWGGUFG-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000579827868 324039869 /nfs/dbraw/zinc/03/98/69/324039869.db2.gz XTCYVNMCMVTIQU-HZPDHXFCSA-N 1 3 340.895 2.790 20 0 EFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000579895224 324050573 /nfs/dbraw/zinc/05/05/73/324050573.db2.gz LMIVLJKHTCSWGZ-JOCHJYFZSA-N 1 3 336.479 2.758 20 0 EFADHO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000579928901 324059488 /nfs/dbraw/zinc/05/94/88/324059488.db2.gz VJAQEFOHRJKRPV-MRXNPFEDSA-N 1 3 346.475 2.506 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)C[C@H]3C)CC2)CC1 ZINC000579977700 324072594 /nfs/dbraw/zinc/07/25/94/324072594.db2.gz HVKGCERHUMZMSI-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000580369905 324149016 /nfs/dbraw/zinc/14/90/16/324149016.db2.gz KKEUBXCDCBNVPM-UHFFFAOYSA-N 1 3 338.499 2.897 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000580555518 324187776 /nfs/dbraw/zinc/18/77/76/324187776.db2.gz PKDHGJPQCQITSZ-RBUKOAKNSA-N 1 3 347.503 2.727 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@H](C)CN2CCN(C)CC2)c1C ZINC000580602963 324195773 /nfs/dbraw/zinc/19/57/73/324195773.db2.gz PAXLZFSARWTHGX-OAHLLOKOSA-N 1 3 326.488 2.575 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000580806287 324237800 /nfs/dbraw/zinc/23/78/00/324237800.db2.gz GKMFQRPJUMAKEH-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000580806287 324237803 /nfs/dbraw/zinc/23/78/03/324237803.db2.gz GKMFQRPJUMAKEH-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000580827854 324244490 /nfs/dbraw/zinc/24/44/90/324244490.db2.gz WHMCXEDYOVJLAF-CZUORRHYSA-N 1 3 333.867 2.836 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)CN(C)C(C)C)[NH+](C)C)cc1 ZINC000581152899 324315830 /nfs/dbraw/zinc/31/58/30/324315830.db2.gz YPTNMBQEQJWOCA-IBGZPJMESA-N 1 3 333.520 2.944 20 0 EFADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000581185166 324322444 /nfs/dbraw/zinc/32/24/44/324322444.db2.gz DKNVTMUZGMIECR-LMWLFIIJSA-N 1 3 339.487 2.827 20 0 EFADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000581185168 324322590 /nfs/dbraw/zinc/32/25/90/324322590.db2.gz DKNVTMUZGMIECR-VYFYYAICSA-N 1 3 339.487 2.827 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC000581380375 324365356 /nfs/dbraw/zinc/36/53/56/324365356.db2.gz RPYYCMVFUCXOKR-SQNIBIBYSA-N 1 3 337.895 2.573 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000581656236 324430285 /nfs/dbraw/zinc/43/02/85/324430285.db2.gz GJZKORUZKIFFLK-OTWHNJEPSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1cccc(Cl)c1Cl ZINC000582295418 324563193 /nfs/dbraw/zinc/56/31/93/324563193.db2.gz IAUTWEADJVOSRR-GVXVVHGQSA-N 1 3 333.259 2.714 20 0 EFADHO C[NH+](C)CCOCCNCc1cc2cc(Br)ccc2o1 ZINC000582431322 324594764 /nfs/dbraw/zinc/59/47/64/324594764.db2.gz ABDYWTUUBYUEMG-UHFFFAOYSA-N 1 3 341.249 2.863 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000582554289 324620525 /nfs/dbraw/zinc/62/05/25/324620525.db2.gz IQHMCUAEJNWGNQ-JCGIZDLHSA-N 1 3 349.906 2.634 20 0 EFADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCC2=CC[NH2+]CC2)cc1 ZINC000582719583 324655436 /nfs/dbraw/zinc/65/54/36/324655436.db2.gz KKORILBDZDTOFD-OALUTQOASA-N 1 3 348.512 2.589 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C1 ZINC000582952328 324705764 /nfs/dbraw/zinc/70/57/64/324705764.db2.gz SOZMHRLIPFBQNR-CVEARBPZSA-N 1 3 346.500 2.857 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000137444662 473205957 /nfs/dbraw/zinc/20/59/57/473205957.db2.gz JFCDBQCXPDAVDF-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000137444662 473205961 /nfs/dbraw/zinc/20/59/61/473205961.db2.gz JFCDBQCXPDAVDF-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000137478781 473206900 /nfs/dbraw/zinc/20/69/00/473206900.db2.gz RDLBXYKQCDYLQB-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000137478781 473206904 /nfs/dbraw/zinc/20/69/04/473206904.db2.gz RDLBXYKQCDYLQB-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CC(C)(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCCC1 ZINC000042910495 472181210 /nfs/dbraw/zinc/18/12/10/472181210.db2.gz FAIUEQVDFUJSJM-UHFFFAOYSA-N 1 3 338.540 2.859 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090178085 472607084 /nfs/dbraw/zinc/60/70/84/472607084.db2.gz COIWBEVLOPLZLZ-DOTOQJQBSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111466916 473214529 /nfs/dbraw/zinc/21/45/29/473214529.db2.gz IKJNAYQGJMQLHA-SFHVURJKSA-N 1 3 338.540 2.674 20 0 EFADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000124245454 473223685 /nfs/dbraw/zinc/22/36/85/473223685.db2.gz SDZGZZDCNHJGDP-SJLPKXTDSA-N 1 3 331.504 2.894 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000095967923 473233814 /nfs/dbraw/zinc/23/38/14/473233814.db2.gz IRSYYJLKFBSXPQ-SJORKVTESA-N 1 3 325.566 2.668 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000111832023 473230572 /nfs/dbraw/zinc/23/05/72/473230572.db2.gz CWGKODOUCNMTIT-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000111882945 473234236 /nfs/dbraw/zinc/23/42/36/473234236.db2.gz YMMFUKWOBAAZOB-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000171041474 473261180 /nfs/dbraw/zinc/26/11/80/473261180.db2.gz VJWRXEBPFRGGLT-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575191 473266905 /nfs/dbraw/zinc/26/69/05/473266905.db2.gz PQDPXAZUFIDHHH-LXGFNABISA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575191 473266910 /nfs/dbraw/zinc/26/69/10/473266910.db2.gz PQDPXAZUFIDHHH-LXGFNABISA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575191 473266915 /nfs/dbraw/zinc/26/69/15/473266915.db2.gz PQDPXAZUFIDHHH-LXGFNABISA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124574970 473267853 /nfs/dbraw/zinc/26/78/53/473267853.db2.gz PQDPXAZUFIDHHH-DCXXXQMHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124574970 473267863 /nfs/dbraw/zinc/26/78/63/473267863.db2.gz PQDPXAZUFIDHHH-DCXXXQMHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124574970 473267866 /nfs/dbraw/zinc/26/78/66/473267866.db2.gz PQDPXAZUFIDHHH-DCXXXQMHSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC)N(C)C ZINC000124671297 473283461 /nfs/dbraw/zinc/28/34/61/473283461.db2.gz MVBJZDQJEDPVIZ-ZWKOTPCHSA-N 1 3 335.492 2.535 20 0 EFADHO CC[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC)N(C)C ZINC000124671479 473283627 /nfs/dbraw/zinc/28/36/27/473283627.db2.gz MVBJZDQJEDPVIZ-QZTJIDSGSA-N 1 3 335.492 2.535 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N(C)C ZINC000124716876 473291213 /nfs/dbraw/zinc/29/12/13/473291213.db2.gz RFXXEFDTNWAXAA-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO Cn1ncc2c1CCC[C@H]2NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171128816 473296547 /nfs/dbraw/zinc/29/65/47/473296547.db2.gz TVZRQMFQJPZDED-LJQANCHMSA-N 1 3 342.487 2.918 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746686 473297707 /nfs/dbraw/zinc/29/77/07/473297707.db2.gz HYLDUZOCRWKHAR-IEZWGBDMSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746686 473297714 /nfs/dbraw/zinc/29/77/14/473297714.db2.gz HYLDUZOCRWKHAR-IEZWGBDMSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000190503893 473298895 /nfs/dbraw/zinc/29/88/95/473298895.db2.gz SUYZPLMMYQVVBB-ABSDTBQOSA-N 1 3 338.536 2.749 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCN2CCCC2)cc1 ZINC000112741336 473306567 /nfs/dbraw/zinc/30/65/67/473306567.db2.gz IYFDSALUIKKMSV-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO Cc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000124901586 473323214 /nfs/dbraw/zinc/32/32/14/473323214.db2.gz OBZRKTNVRFXBJS-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185197936 473359989 /nfs/dbraw/zinc/35/99/89/473359989.db2.gz WJMNAAKEFNKXAS-ZWKOTPCHSA-N 1 3 325.541 2.586 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)nc1 ZINC000125236190 473380711 /nfs/dbraw/zinc/38/07/11/473380711.db2.gz IKHQDPARZUQSKS-SJORKVTESA-N 1 3 330.476 2.525 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)nc1 ZINC000125236190 473380714 /nfs/dbraw/zinc/38/07/14/473380714.db2.gz IKHQDPARZUQSKS-SJORKVTESA-N 1 3 330.476 2.525 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000150972440 473389020 /nfs/dbraw/zinc/38/90/20/473389020.db2.gz UBKXGMOUBRWSQN-LJQANCHMSA-N 1 3 331.504 2.688 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000150975998 473390759 /nfs/dbraw/zinc/39/07/59/473390759.db2.gz GVZMTNQHSLWNCR-HNNXBMFYSA-N 1 3 336.549 2.699 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000150984353 473391649 /nfs/dbraw/zinc/39/16/49/473391649.db2.gz BWTNKJSMJNRWPI-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000355413482 475917234 /nfs/dbraw/zinc/91/72/34/475917234.db2.gz MAPXKXINDSDUQK-HQRMLTQVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(=O)N1CCC[C@H](CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000355413482 475917244 /nfs/dbraw/zinc/91/72/44/475917244.db2.gz MAPXKXINDSDUQK-HQRMLTQVSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c1CCNC2 ZINC000388467617 476776444 /nfs/dbraw/zinc/77/64/44/476776444.db2.gz DPIBUKLKWDLWHO-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CCNC2 ZINC000388467617 476776452 /nfs/dbraw/zinc/77/64/52/476776452.db2.gz DPIBUKLKWDLWHO-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO NC[C@H]1CCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798099 476780693 /nfs/dbraw/zinc/78/06/93/476780693.db2.gz PSEWVBVZMPDZLO-NVXWUHKLSA-N 1 3 330.472 2.987 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798285 476780907 /nfs/dbraw/zinc/78/09/07/476780907.db2.gz QLYWTSTXMNKLAZ-IIYDPXPESA-N 1 3 328.859 2.737 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798285 476780913 /nfs/dbraw/zinc/78/09/13/476780913.db2.gz QLYWTSTXMNKLAZ-IIYDPXPESA-N 1 3 328.859 2.737 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000422799754 476781267 /nfs/dbraw/zinc/78/12/67/476781267.db2.gz YGYLNMASOIDHOZ-ZJPYXAASSA-N 1 3 325.541 2.775 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783409 477307846 /nfs/dbraw/zinc/30/78/46/477307846.db2.gz HCCAOJGZAAZDLB-OALUTQOASA-N 1 3 346.519 2.838 20 0 EFADHO Cc1cc(NC(=O)[C@@H](C[NH3+])C(C)C)ccc1OCCN1CCCC1 ZINC000433140171 477308840 /nfs/dbraw/zinc/30/88/40/477308840.db2.gz ZYSJPDJPBFJJJE-KRWDZBQOSA-N 1 3 333.476 2.639 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425730 479899249 /nfs/dbraw/zinc/89/92/49/479899249.db2.gz TVXDWHBVKIKENB-SJORKVTESA-N 1 3 347.503 2.655 20 0 EFADHO CCCN1CC[C@H](NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000619892581 479905952 /nfs/dbraw/zinc/90/59/52/479905952.db2.gz BIWRKTMKAQXHGF-SFHVURJKSA-N 1 3 347.503 2.621 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893751 479907633 /nfs/dbraw/zinc/90/76/33/479907633.db2.gz KMONUBFJAKMECO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893751 479907641 /nfs/dbraw/zinc/90/76/41/479907641.db2.gz KMONUBFJAKMECO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616567238 479946971 /nfs/dbraw/zinc/94/69/71/479946971.db2.gz MFQRWFMSJATZAM-HXUWFJFHSA-N 1 3 343.515 2.810 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CCN(CC)CC1 ZINC000067383018 472026810 /nfs/dbraw/zinc/02/68/10/472026810.db2.gz CRBIMFZNKDOVQV-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000068132393 472139683 /nfs/dbraw/zinc/13/96/83/472139683.db2.gz UZXBHGFLNBMZFX-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000075751364 472192442 /nfs/dbraw/zinc/19/24/42/472192442.db2.gz XMYHWEQWICHKGM-INIZCTEOSA-N 1 3 346.519 2.559 20 0 EFADHO C[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000084599650 472197585 /nfs/dbraw/zinc/19/75/85/472197585.db2.gz UAPCUNJLGDZOCO-KRWDZBQOSA-N 1 3 341.499 2.895 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000085365692 472239949 /nfs/dbraw/zinc/23/99/49/472239949.db2.gz IZAMANDQAKCUJH-RDJZCZTQSA-N 1 3 334.508 2.565 20 0 EFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000076076630 472261618 /nfs/dbraw/zinc/26/16/18/472261618.db2.gz QUGFTOQOMMGPBN-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000076076630 472261620 /nfs/dbraw/zinc/26/16/20/472261620.db2.gz QUGFTOQOMMGPBN-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CCCCNC(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109981 472274434 /nfs/dbraw/zinc/27/44/34/472274434.db2.gz OFQMRNQMOQNHEA-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO CCCCNC(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109981 472274437 /nfs/dbraw/zinc/27/44/37/472274437.db2.gz OFQMRNQMOQNHEA-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000044276598 472293431 /nfs/dbraw/zinc/29/34/31/472293431.db2.gz DUSMMCVXNMNEEX-HOTGVXAUSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000044276598 472293439 /nfs/dbraw/zinc/29/34/39/472293439.db2.gz DUSMMCVXNMNEEX-HOTGVXAUSA-N 1 3 332.492 2.990 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000069471295 472350456 /nfs/dbraw/zinc/35/04/56/472350456.db2.gz MVZKLDGWHDQXGC-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000069471295 472350462 /nfs/dbraw/zinc/35/04/62/472350462.db2.gz MVZKLDGWHDQXGC-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000088740132 472382075 /nfs/dbraw/zinc/38/20/75/472382075.db2.gz DRZASPDYRVRQEK-TZIWHRDSSA-N 1 3 345.531 2.979 20 0 EFADHO O=C(NCCN1CCCCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000045195778 472382167 /nfs/dbraw/zinc/38/21/67/472382167.db2.gz DTTFAUNZZLQGBK-UHFFFAOYSA-N 1 3 344.503 2.568 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CCCCC2)c1 ZINC000045195782 472382186 /nfs/dbraw/zinc/38/21/86/472382186.db2.gz LOBOJCMPVUACMB-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000057171974 472390915 /nfs/dbraw/zinc/39/09/15/472390915.db2.gz TWEQVUIRIBZNID-GOSISDBHSA-N 1 3 343.515 2.747 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215696 472392139 /nfs/dbraw/zinc/39/21/39/472392139.db2.gz KHPJRSFHFDSQSA-MRXNPFEDSA-N 1 3 332.492 2.535 20 0 EFADHO CCc1ccc([C@@H](CC)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128052799 472394693 /nfs/dbraw/zinc/39/46/93/472394693.db2.gz UWYVDWDGLSOGNH-RBUKOAKNSA-N 1 3 331.504 2.877 20 0 EFADHO CCc1ccc([C@@H](CC)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128052799 472394696 /nfs/dbraw/zinc/39/46/96/472394696.db2.gz UWYVDWDGLSOGNH-RBUKOAKNSA-N 1 3 331.504 2.877 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000154297454 472413915 /nfs/dbraw/zinc/41/39/15/472413915.db2.gz AYBUKWSXLJZYRQ-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000097038884 472420065 /nfs/dbraw/zinc/42/00/65/472420065.db2.gz HNFIEQNNVUZBRE-XLIONFOSSA-N 1 3 330.520 2.969 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@H]3CC[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000097038884 472420074 /nfs/dbraw/zinc/42/00/74/472420074.db2.gz HNFIEQNNVUZBRE-XLIONFOSSA-N 1 3 330.520 2.969 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000154367786 472424485 /nfs/dbraw/zinc/42/44/85/472424485.db2.gz CGTJTTPXEIGYNO-GOSISDBHSA-N 1 3 347.503 2.526 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000154388699 472426635 /nfs/dbraw/zinc/42/66/35/472426635.db2.gz GWRKUWUDTYCRIC-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154401361 472428178 /nfs/dbraw/zinc/42/81/78/472428178.db2.gz KWGKXXCFYZJWQK-MSOLQXFVSA-N 1 3 333.520 2.804 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000154406238 472428567 /nfs/dbraw/zinc/42/85/67/472428567.db2.gz WRDYJUVJSXCDSX-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154471378 472436735 /nfs/dbraw/zinc/43/67/35/472436735.db2.gz CHZFEMPPOPTBFY-INIZCTEOSA-N 1 3 337.483 2.903 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000154527015 472442775 /nfs/dbraw/zinc/44/27/75/472442775.db2.gz WXTHUTWJYPQINO-KRWDZBQOSA-N 1 3 349.519 2.772 20 0 EFADHO CC[N@H+](CCNC(=O)Nc1ccc(C)cc1OCCN(C)C)C1CC1 ZINC000154666086 472458968 /nfs/dbraw/zinc/45/89/68/472458968.db2.gz IDVXXPZRSCMOII-UHFFFAOYSA-N 1 3 348.491 2.541 20 0 EFADHO CC[N@@H+](CCNC(=O)Nc1ccc(C)cc1OCCN(C)C)C1CC1 ZINC000154666086 472458972 /nfs/dbraw/zinc/45/89/72/472458972.db2.gz IDVXXPZRSCMOII-UHFFFAOYSA-N 1 3 348.491 2.541 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000057700816 472462914 /nfs/dbraw/zinc/46/29/14/472462914.db2.gz RDXFTILFUAPIPA-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000057700816 472462921 /nfs/dbraw/zinc/46/29/21/472462921.db2.gz RDXFTILFUAPIPA-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+](C)CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633772749 479991255 /nfs/dbraw/zinc/99/12/55/479991255.db2.gz CXMDWRJNRVSBPJ-OAHLLOKOSA-N 1 3 345.409 2.765 20 0 EFADHO CC(C)[N@@H+](C)CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633772749 479991259 /nfs/dbraw/zinc/99/12/59/479991259.db2.gz CXMDWRJNRVSBPJ-OAHLLOKOSA-N 1 3 345.409 2.765 20 0 EFADHO Cc1cc(NC(=O)CCN2CCC(C[NH+]3CCCCCC3)CC2)no1 ZINC000045807119 472467291 /nfs/dbraw/zinc/46/72/91/472467291.db2.gz WVSLDYGPOGPLTC-UHFFFAOYSA-N 1 3 348.491 2.900 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831845 472477894 /nfs/dbraw/zinc/47/78/94/472477894.db2.gz QIXPNYOUCPAOJA-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831845 472477902 /nfs/dbraw/zinc/47/79/02/472477902.db2.gz QIXPNYOUCPAOJA-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831845 472477909 /nfs/dbraw/zinc/47/79/09/472477909.db2.gz QIXPNYOUCPAOJA-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO Cc1ccc(C[C@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)cc1 ZINC000128721867 472488344 /nfs/dbraw/zinc/48/83/44/472488344.db2.gz GELOJDLPTNCNJU-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000118763567 472507451 /nfs/dbraw/zinc/50/74/51/472507451.db2.gz DVONLNQPFADKLD-UHFFFAOYSA-N 1 3 329.444 2.709 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098030488 472513865 /nfs/dbraw/zinc/51/38/65/472513865.db2.gz VOEUZBAYFOLNRI-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098030488 472513872 /nfs/dbraw/zinc/51/38/72/472513872.db2.gz VOEUZBAYFOLNRI-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO COc1c(Cl)cc(Cl)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000077450162 472528380 /nfs/dbraw/zinc/52/83/80/472528380.db2.gz FAMYILUCFMJEOZ-UHFFFAOYSA-N 1 3 333.259 2.548 20 0 EFADHO C[NH+]1CCC(O)(CNCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000077450337 472528676 /nfs/dbraw/zinc/52/86/76/472528676.db2.gz AMGYVUQZVSMSSZ-UHFFFAOYSA-N 1 3 336.382 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000102011131 472562531 /nfs/dbraw/zinc/56/25/31/472562531.db2.gz ONSKEMKPTWITPH-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000102011131 472562537 /nfs/dbraw/zinc/56/25/37/472562537.db2.gz ONSKEMKPTWITPH-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1C ZINC000129772888 472564924 /nfs/dbraw/zinc/56/49/24/472564924.db2.gz PRSSXDPARCLKDQ-TXPKVOOTSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1nc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc2s1 ZINC000119754684 472579901 /nfs/dbraw/zinc/57/99/01/472579901.db2.gz SNNQEYLNNQKLOO-UHFFFAOYSA-N 1 3 349.504 2.562 20 0 EFADHO C[C@@H](CCN1CCOCC1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000090048223 472586205 /nfs/dbraw/zinc/58/62/05/472586205.db2.gz KMJPRRHNYXMDGC-HBFSDRIKSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H](CCN1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000090048223 472586213 /nfs/dbraw/zinc/58/62/13/472586213.db2.gz KMJPRRHNYXMDGC-HBFSDRIKSA-N 1 3 337.552 2.730 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000155702999 472598258 /nfs/dbraw/zinc/59/82/58/472598258.db2.gz HPGVSAGXKLIMQR-HUUCEWRRSA-N 1 3 332.517 2.973 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000155704255 472599890 /nfs/dbraw/zinc/59/98/90/472599890.db2.gz VDIGGOOXKBXXCY-JKSUJKDBSA-N 1 3 336.499 2.568 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000155710190 472601542 /nfs/dbraw/zinc/60/15/42/472601542.db2.gz MPVJXBXBZLJPLV-QFBILLFUSA-N 1 3 333.545 2.633 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130363153 472601656 /nfs/dbraw/zinc/60/16/56/472601656.db2.gz JBYIWXCNHFVSMD-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130363153 472601660 /nfs/dbraw/zinc/60/16/60/472601660.db2.gz JBYIWXCNHFVSMD-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077798995 472618257 /nfs/dbraw/zinc/61/82/57/472618257.db2.gz BHPNVZYGWJKVCX-ZWKOTPCHSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CC)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000059384473 472625787 /nfs/dbraw/zinc/62/57/87/472625787.db2.gz ZJFMWEMXAFSIOX-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO Cc1ccccc1[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000077827289 472626625 /nfs/dbraw/zinc/62/66/25/472626625.db2.gz OBSBLSJGCULLTF-IBGZPJMESA-N 1 3 348.535 2.827 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000104135379 472658414 /nfs/dbraw/zinc/65/84/14/472658414.db2.gz YWIZOSRSRZARGR-GFCCVEGCSA-N 1 3 327.266 2.887 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)C ZINC000072518396 472670116 /nfs/dbraw/zinc/67/01/16/472670116.db2.gz HAQVOEUMRSALTC-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633797595 480003718 /nfs/dbraw/zinc/00/37/18/480003718.db2.gz LCQPHSWRINTPEO-YSIASYRMSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633797595 480003723 /nfs/dbraw/zinc/00/37/23/480003723.db2.gz LCQPHSWRINTPEO-YSIASYRMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000131771779 472691540 /nfs/dbraw/zinc/69/15/40/472691540.db2.gz IGALJYXDLYSVFV-GHMZBOCLSA-N 1 3 330.259 2.991 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000120465172 472693589 /nfs/dbraw/zinc/69/35/89/472693589.db2.gz ZLYNLGFCDPQWCF-TZIWHRDSSA-N 1 3 343.515 2.747 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000078314230 472694703 /nfs/dbraw/zinc/69/47/03/472694703.db2.gz NJFFBYIKBMPUTP-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120594042 472715625 /nfs/dbraw/zinc/71/56/25/472715625.db2.gz DFTMVAGNNMFCGK-RNIPGJKVSA-N 1 3 332.488 2.981 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000078489912 472723986 /nfs/dbraw/zinc/72/39/86/472723986.db2.gz ZVBIJGPEALGFGX-UHFFFAOYSA-N 1 3 346.397 2.663 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859462 472729836 /nfs/dbraw/zinc/72/98/36/472729836.db2.gz CTVNWVCTRXZRBW-QGZVFWFLSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859462 472729840 /nfs/dbraw/zinc/72/98/40/472729840.db2.gz CTVNWVCTRXZRBW-QGZVFWFLSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859462 472729842 /nfs/dbraw/zinc/72/98/42/472729842.db2.gz CTVNWVCTRXZRBW-QGZVFWFLSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859462 472729846 /nfs/dbraw/zinc/72/98/46/472729846.db2.gz CTVNWVCTRXZRBW-QGZVFWFLSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000105197969 472732162 /nfs/dbraw/zinc/73/21/62/472732162.db2.gz YZHYMALWTCAJLS-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000105197969 472732166 /nfs/dbraw/zinc/73/21/66/472732166.db2.gz YZHYMALWTCAJLS-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000072884099 472733931 /nfs/dbraw/zinc/73/39/31/472733931.db2.gz NTWIQRRWCDXQOY-HXUWFJFHSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000105294680 472742098 /nfs/dbraw/zinc/74/20/98/472742098.db2.gz XPEQLRCYRAMZHX-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105294680 472742105 /nfs/dbraw/zinc/74/21/05/472742105.db2.gz XPEQLRCYRAMZHX-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)C1CCCC1 ZINC000091306269 472754542 /nfs/dbraw/zinc/75/45/42/472754542.db2.gz ZJHXOJRYNCNAOC-XLIONFOSSA-N 1 3 332.488 2.973 20 0 EFADHO COc1ccc2cc(C[NH2+]CCCN3CCCN(C)CC3)ccc2c1 ZINC000105477117 472754514 /nfs/dbraw/zinc/75/45/14/472754514.db2.gz WKNJFFHJGIZDGQ-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO COc1ccc(C[NH2+]CCCN2CCCN(C)CC2)c2ccccc12 ZINC000105476521 472755214 /nfs/dbraw/zinc/75/52/14/472755214.db2.gz NPAMFYRZMWNNJO-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132987949 472767782 /nfs/dbraw/zinc/76/77/82/472767782.db2.gz IQBYJPYCLTXFJL-CVEARBPZSA-N 1 3 346.471 2.609 20 0 EFADHO CCCN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000156969108 472770869 /nfs/dbraw/zinc/77/08/69/472770869.db2.gz JFCIGBTYFPLGBP-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c(C)c1 ZINC000078804640 472772345 /nfs/dbraw/zinc/77/23/45/472772345.db2.gz RFVPGUBECTWZHX-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c(C)c1 ZINC000078804640 472772350 /nfs/dbraw/zinc/77/23/50/472772350.db2.gz RFVPGUBECTWZHX-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccccc2C)CC1 ZINC000047978417 472791347 /nfs/dbraw/zinc/79/13/47/472791347.db2.gz UNAFXFULBYHFRS-LJQANCHMSA-N 1 3 334.504 2.789 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121159772 472808596 /nfs/dbraw/zinc/80/85/96/472808596.db2.gz QTJRKHPUCVQFHV-QFBILLFUSA-N 1 3 349.494 2.903 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000073437588 472810867 /nfs/dbraw/zinc/81/08/67/472810867.db2.gz LBIOBJKWEKDZES-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079123161 472823412 /nfs/dbraw/zinc/82/34/12/472823412.db2.gz JAYXTRHCSZQBLA-SFHVURJKSA-N 1 3 334.508 2.519 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000073534194 472825999 /nfs/dbraw/zinc/82/59/99/472825999.db2.gz BEILYSUDDDJUSA-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000073534194 472826007 /nfs/dbraw/zinc/82/60/07/472826007.db2.gz BEILYSUDDDJUSA-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000079265617 472840014 /nfs/dbraw/zinc/84/00/14/472840014.db2.gz FGNSFSUGCIYSFT-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccsc1 ZINC000106431651 472851241 /nfs/dbraw/zinc/85/12/41/472851241.db2.gz BUJYXLDRAIWKRM-JKSUJKDBSA-N 1 3 325.522 2.833 20 0 EFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C(C)C)N(C)C)c(C)c2)CC1 ZINC000106426847 472851359 /nfs/dbraw/zinc/85/13/59/472851359.db2.gz VSHWCYSRESUWHB-LJQANCHMSA-N 1 3 346.519 2.662 20 0 EFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000157742275 472854507 /nfs/dbraw/zinc/85/45/07/472854507.db2.gz BQLJUEGTPAQJLY-AWEZNQCLSA-N 1 3 335.517 2.526 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106533475 472861074 /nfs/dbraw/zinc/86/10/74/472861074.db2.gz WXDUGFFTBIEOHY-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106533475 472861080 /nfs/dbraw/zinc/86/10/80/472861080.db2.gz WXDUGFFTBIEOHY-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134181566 472883258 /nfs/dbraw/zinc/88/32/58/472883258.db2.gz USYKDDCHZAVWCK-OXQOHEQNSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@@H](C)[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134181566 472883260 /nfs/dbraw/zinc/88/32/60/472883260.db2.gz USYKDDCHZAVWCK-OXQOHEQNSA-N 1 3 333.520 2.714 20 0 EFADHO CCOc1c(OC)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253871 472883751 /nfs/dbraw/zinc/88/37/51/472883751.db2.gz GSIVACOGXPTAET-OAHLLOKOSA-N 1 3 336.476 2.876 20 0 EFADHO CCOc1c(OC)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253871 472883755 /nfs/dbraw/zinc/88/37/55/472883755.db2.gz GSIVACOGXPTAET-OAHLLOKOSA-N 1 3 336.476 2.876 20 0 EFADHO CN(CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000073821088 472884220 /nfs/dbraw/zinc/88/42/20/472884220.db2.gz SJPVIWVMNXFPAS-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CN(CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000073821088 472884223 /nfs/dbraw/zinc/88/42/23/472884223.db2.gz SJPVIWVMNXFPAS-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000079553410 472886230 /nfs/dbraw/zinc/88/62/30/472886230.db2.gz INSIGOXNKRKUKJ-QXAKKESOSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000079553410 472886239 /nfs/dbraw/zinc/88/62/39/472886239.db2.gz INSIGOXNKRKUKJ-QXAKKESOSA-N 1 3 331.504 2.742 20 0 EFADHO C[NH+](C)CCC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000092381286 472904484 /nfs/dbraw/zinc/90/44/84/472904484.db2.gz CNAIBPORRAXPAX-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000079690621 472908064 /nfs/dbraw/zinc/90/80/64/472908064.db2.gz JXCGILGLVOVEHD-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)N(C)C ZINC000106909189 472910450 /nfs/dbraw/zinc/91/04/50/472910450.db2.gz ONALLUOQIUIPTB-IBGZPJMESA-N 1 3 346.519 2.742 20 0 EFADHO Cc1ccoc1CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426936 472911933 /nfs/dbraw/zinc/91/19/33/472911933.db2.gz NBHHZUJCRGKPPF-UHFFFAOYSA-N 1 3 335.492 2.504 20 0 EFADHO CC[C@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000134563058 472928936 /nfs/dbraw/zinc/92/89/36/472928936.db2.gz IKBYSSKFWSQHIW-HXUWFJFHSA-N 1 3 329.488 2.608 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000065440329 472942611 /nfs/dbraw/zinc/94/26/11/472942611.db2.gz PLFHIRMJFZAOSS-IEBWSBKVSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000065440329 472942616 /nfs/dbraw/zinc/94/26/16/472942616.db2.gz PLFHIRMJFZAOSS-IEBWSBKVSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000121981630 472959095 /nfs/dbraw/zinc/95/90/95/472959095.db2.gz FSAYZHQFONIJNE-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000121981630 472959101 /nfs/dbraw/zinc/95/91/01/472959101.db2.gz FSAYZHQFONIJNE-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080054538 472969224 /nfs/dbraw/zinc/96/92/24/472969224.db2.gz IHEQZKIPUXDKRT-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000158835481 472970768 /nfs/dbraw/zinc/97/07/68/472970768.db2.gz VKDQBBUZKAULKH-OTWHNJEPSA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000158835481 472970773 /nfs/dbraw/zinc/97/07/73/472970773.db2.gz VKDQBBUZKAULKH-OTWHNJEPSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000065542379 472972419 /nfs/dbraw/zinc/97/24/19/472972419.db2.gz HJEWHJLRBUPRHS-ROUUACIJSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000065542379 472972424 /nfs/dbraw/zinc/97/24/24/472972424.db2.gz HJEWHJLRBUPRHS-ROUUACIJSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CCNC(=O)NCC1CC[NH+](CCC(C)C)CC1)C1CC1 ZINC000080109618 472977583 /nfs/dbraw/zinc/97/75/83/472977583.db2.gz IPWWQJIEURXMMG-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080109489 472977934 /nfs/dbraw/zinc/97/79/34/472977934.db2.gz HBAKWYCVMOIRLH-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080109489 472977941 /nfs/dbraw/zinc/97/79/41/472977941.db2.gz HBAKWYCVMOIRLH-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000080117201 472979575 /nfs/dbraw/zinc/97/95/75/472979575.db2.gz ACSNEWHMZFGFMW-MRXNPFEDSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080150755 472984959 /nfs/dbraw/zinc/98/49/59/472984959.db2.gz PECDTLUCMFUFBT-GOSISDBHSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000122190681 472986602 /nfs/dbraw/zinc/98/66/02/472986602.db2.gz MPUXQBKRQRKTRI-GOSISDBHSA-N 1 3 345.531 2.993 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC)C2)cc1)C1CC1 ZINC000107893382 472990310 /nfs/dbraw/zinc/99/03/10/472990310.db2.gz NUZVERSLVPBLNI-QGZVFWFLSA-N 1 3 329.488 2.743 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1)C1CC1 ZINC000107893382 472990316 /nfs/dbraw/zinc/99/03/16/472990316.db2.gz NUZVERSLVPBLNI-QGZVFWFLSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)N1CC[C@@H](N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821493 472991565 /nfs/dbraw/zinc/99/15/65/472991565.db2.gz ZODIVQGRYVDOIG-LJQANCHMSA-N 1 3 344.503 2.629 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000074345892 472992870 /nfs/dbraw/zinc/99/28/70/472992870.db2.gz ZQHHUSLXYNJMOC-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000074345892 472992874 /nfs/dbraw/zinc/99/28/74/472992874.db2.gz ZQHHUSLXYNJMOC-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134935681 472993913 /nfs/dbraw/zinc/99/39/13/472993913.db2.gz JOBFQUHMZNCGNL-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134935681 472993919 /nfs/dbraw/zinc/99/39/19/472993919.db2.gz JOBFQUHMZNCGNL-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134935704 472994596 /nfs/dbraw/zinc/99/45/96/472994596.db2.gz JOBFQUHMZNCGNL-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000134935704 472994601 /nfs/dbraw/zinc/99/46/01/472994601.db2.gz JOBFQUHMZNCGNL-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000608475193 480023395 /nfs/dbraw/zinc/02/33/95/480023395.db2.gz OJXIVPBFMJECSP-DMUMMCEESA-N 1 3 343.515 2.981 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000608475193 480023400 /nfs/dbraw/zinc/02/34/00/480023400.db2.gz OJXIVPBFMJECSP-DMUMMCEESA-N 1 3 343.515 2.981 20 0 EFADHO Cc1cccc(F)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122372632 473007156 /nfs/dbraw/zinc/00/71/56/473007156.db2.gz MABIYYKEXQHUPU-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO CCCCS[C@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797202 473011291 /nfs/dbraw/zinc/01/12/91/473011291.db2.gz YIASTGAIEYRFEQ-OAHLLOKOSA-N 1 3 341.565 2.583 20 0 EFADHO CC(C)=C[C@H]1[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000050800339 473011535 /nfs/dbraw/zinc/01/15/35/473011535.db2.gz AIRXBVYWMCBWKT-RBUKOAKNSA-N 1 3 347.547 2.900 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCN1CC ZINC000074497815 473017075 /nfs/dbraw/zinc/01/70/75/473017075.db2.gz BNOPBEVTRODPIF-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+]1CCC(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000065893501 473023867 /nfs/dbraw/zinc/02/38/67/473023867.db2.gz PDWPAGAIVRJGOI-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000066190511 473055668 /nfs/dbraw/zinc/05/56/68/473055668.db2.gz LTAIKBAAHGUHQV-AEFFLSMTSA-N 1 3 334.508 2.627 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000066190511 473055675 /nfs/dbraw/zinc/05/56/75/473055675.db2.gz LTAIKBAAHGUHQV-AEFFLSMTSA-N 1 3 334.508 2.627 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(C(=O)OC)cc2)CC1 ZINC000080645807 473061837 /nfs/dbraw/zinc/06/18/37/473061837.db2.gz MGDBHCRBECSQFE-UHFFFAOYSA-N 1 3 348.487 2.796 20 0 EFADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H](C)C(C)C ZINC000051761255 473066194 /nfs/dbraw/zinc/06/61/94/473066194.db2.gz PVRHDVOIZGUJQI-MRXNPFEDSA-N 1 3 338.540 2.621 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758587 473066954 /nfs/dbraw/zinc/06/69/54/473066954.db2.gz SGQOVRPEWJKVAL-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080676873 473068296 /nfs/dbraw/zinc/06/82/96/473068296.db2.gz BXBXDUDKNATTCC-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000052105839 473087440 /nfs/dbraw/zinc/08/74/40/473087440.db2.gz NJQZKEZBRZJHNF-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO COC(=O)CCC1CC[NH+](Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000093341424 473088437 /nfs/dbraw/zinc/08/84/37/473088437.db2.gz QNHYCOGWKMOPAI-UHFFFAOYSA-N 1 3 348.487 2.792 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(NC(C)=O)c2)CC1 ZINC000075007984 473111063 /nfs/dbraw/zinc/11/10/63/473111063.db2.gz LPTRQUSTEGFGGQ-UHFFFAOYSA-N 1 3 347.503 2.968 20 0 EFADHO COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc(OC)c1 ZINC000093735025 473136653 /nfs/dbraw/zinc/13/66/53/473136653.db2.gz AHWSWXBKBFWJHT-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO Cc1cccn2c(=O)cc(CN3CCC(CCC[NH+](C)C)CC3)nc12 ZINC000123510361 473150069 /nfs/dbraw/zinc/15/00/69/473150069.db2.gz UNDNRCYQXYWEBN-UHFFFAOYSA-N 1 3 342.487 2.557 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123551817 473156417 /nfs/dbraw/zinc/15/64/17/473156417.db2.gz HUIIWPUUTBDAJL-INIZCTEOSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[C@H](C)O1 ZINC000093962042 473165277 /nfs/dbraw/zinc/16/52/77/473165277.db2.gz JYXLFFZIPZXCRZ-IYBDPMFKSA-N 1 3 336.524 2.697 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000123726378 473177985 /nfs/dbraw/zinc/17/79/85/473177985.db2.gz CPDMCDGOBTXLIU-UHFFFAOYSA-N 1 3 338.499 2.897 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000123832117 473190836 /nfs/dbraw/zinc/19/08/36/473190836.db2.gz CROVZJJZRPRKMU-NEWSRXKRSA-N 1 3 332.488 2.717 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000123832117 473190840 /nfs/dbraw/zinc/19/08/40/473190840.db2.gz CROVZJJZRPRKMU-NEWSRXKRSA-N 1 3 332.488 2.717 20 0 EFADHO COc1ccc2oc(CNCCCC[N@@H+]3CCC[C@@H]3CO)cc2c1 ZINC000125323516 473392781 /nfs/dbraw/zinc/39/27/81/473392781.db2.gz MDPROWNCZWYXDP-MRXNPFEDSA-N 1 3 332.444 2.768 20 0 EFADHO COc1ccc2oc(CNCCCC[N@H+]3CCC[C@@H]3CO)cc2c1 ZINC000125323516 473392790 /nfs/dbraw/zinc/39/27/90/473392790.db2.gz MDPROWNCZWYXDP-MRXNPFEDSA-N 1 3 332.444 2.768 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cnc2ccsc2c1 ZINC000150988131 473393144 /nfs/dbraw/zinc/39/31/44/473393144.db2.gz BABBQQIAQVVILK-CQSZACIVSA-N 1 3 332.517 2.973 20 0 EFADHO CCN(C)c1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cn1 ZINC000190785618 473393443 /nfs/dbraw/zinc/39/34/43/473393443.db2.gz RTQFMIARZODHFO-UHFFFAOYSA-N 1 3 342.487 2.768 20 0 EFADHO Cc1ccc(C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)cc1 ZINC000151005269 473395336 /nfs/dbraw/zinc/39/53/36/473395336.db2.gz AFKXNIAXTDYPTM-NRFANRHFSA-N 1 3 329.532 2.932 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000113515148 473397969 /nfs/dbraw/zinc/39/79/69/473397969.db2.gz GKYVWOZMDXYKSR-HZPDHXFCSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H](NCCC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125379368 473402539 /nfs/dbraw/zinc/40/25/39/473402539.db2.gz YBRWBXDXIGFCEU-CYBMUJFWSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000113604374 473408416 /nfs/dbraw/zinc/40/84/16/473408416.db2.gz WNOODSZTQIVTMT-DOTOQJQBSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000190893510 473421426 /nfs/dbraw/zinc/42/14/26/473421426.db2.gz GAEVRAVTMSWDHT-ROUUACIJSA-N 1 3 342.487 2.851 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000171629939 473425475 /nfs/dbraw/zinc/42/54/75/473425475.db2.gz YWDXFUYSTJPLFD-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000177852520 473443402 /nfs/dbraw/zinc/44/34/02/473443402.db2.gz BCHYJDDUWIDGTG-OAHLLOKOSA-N 1 3 330.476 2.942 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000151371881 473449726 /nfs/dbraw/zinc/44/97/26/473449726.db2.gz RGEQABCZVPFBLT-QGZVFWFLSA-N 1 3 337.533 2.663 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H](C)C1 ZINC000125808458 473459803 /nfs/dbraw/zinc/45/98/03/473459803.db2.gz KHEFDQHRIUSAPE-HSALFYBXSA-N 1 3 339.568 2.833 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1[C@@H](O)CC ZINC000114460866 473469882 /nfs/dbraw/zinc/46/98/82/473469882.db2.gz MSPMNRDBBPTJBM-KBZHAPQQSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1[C@@H](O)CC ZINC000114460866 473469885 /nfs/dbraw/zinc/46/98/85/473469885.db2.gz MSPMNRDBBPTJBM-KBZHAPQQSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000114460866 473469890 /nfs/dbraw/zinc/46/98/90/473469890.db2.gz MSPMNRDBBPTJBM-KBZHAPQQSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000114460866 473469894 /nfs/dbraw/zinc/46/98/94/473469894.db2.gz MSPMNRDBBPTJBM-KBZHAPQQSA-N 1 3 338.536 2.793 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)CC)nc2)[C@@H](C)C1 ZINC000191079640 473473604 /nfs/dbraw/zinc/47/36/04/473473604.db2.gz FKDYQTIQHBZBMB-HKUYNNGSSA-N 1 3 348.535 2.764 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676221 473486870 /nfs/dbraw/zinc/48/68/70/473486870.db2.gz LZEQTYPPKJIAEQ-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676221 473486875 /nfs/dbraw/zinc/48/68/75/473486875.db2.gz LZEQTYPPKJIAEQ-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676221 473486882 /nfs/dbraw/zinc/48/68/82/473486882.db2.gz LZEQTYPPKJIAEQ-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO CC[C@@H](C)CN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171945680 473488515 /nfs/dbraw/zinc/48/85/15/473488515.db2.gz RFZFXSYIBLGLAX-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000172038863 473508023 /nfs/dbraw/zinc/50/80/23/473508023.db2.gz DDFOFNLTDYHTLC-MJGOQNOKSA-N 1 3 333.520 2.979 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H](C)C[NH+]1CCCC1 ZINC000165266298 473508404 /nfs/dbraw/zinc/50/84/04/473508404.db2.gz NLAQVZASOJAJPT-UONOGXRCSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)CN1CCCC1 ZINC000165266298 473508408 /nfs/dbraw/zinc/50/84/08/473508408.db2.gz NLAQVZASOJAJPT-UONOGXRCSA-N 1 3 338.883 2.774 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000165983424 473518667 /nfs/dbraw/zinc/51/86/67/473518667.db2.gz GCQFPTLIMXCGEA-WBVHZDCISA-N 1 3 336.476 2.855 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000165983543 473518763 /nfs/dbraw/zinc/51/87/63/473518763.db2.gz GCQFPTLIMXCGEA-NVXWUHKLSA-N 1 3 336.476 2.855 20 0 EFADHO CCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165946976 473519301 /nfs/dbraw/zinc/51/93/01/473519301.db2.gz AKOMSDWMKUYZER-YTQUADARSA-N 1 3 329.488 2.813 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000166002883 473520503 /nfs/dbraw/zinc/52/05/03/473520503.db2.gz SKRQFHDEWWPQCP-LPHOPBHVSA-N 1 3 347.503 2.821 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000126508401 473522673 /nfs/dbraw/zinc/52/26/73/473522673.db2.gz FNHXELTWYWUVNQ-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000126508401 473522676 /nfs/dbraw/zinc/52/26/76/473522676.db2.gz FNHXELTWYWUVNQ-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000166827352 473530227 /nfs/dbraw/zinc/53/02/27/473530227.db2.gz ATDUGXILEVULLE-KRWDZBQOSA-N 1 3 346.475 2.567 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668081 473534966 /nfs/dbraw/zinc/53/49/66/473534966.db2.gz NGCQPPFYTKBHHB-RYRKJORJSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668081 473534969 /nfs/dbraw/zinc/53/49/69/473534969.db2.gz NGCQPPFYTKBHHB-RYRKJORJSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668081 473534975 /nfs/dbraw/zinc/53/49/75/473534975.db2.gz NGCQPPFYTKBHHB-RYRKJORJSA-N 1 3 348.510 2.711 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168516301 473542859 /nfs/dbraw/zinc/54/28/59/473542859.db2.gz WZVWXJZCHDALDS-UHOSZYNNSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168516301 473542865 /nfs/dbraw/zinc/54/28/65/473542865.db2.gz WZVWXJZCHDALDS-UHOSZYNNSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000168943568 473545807 /nfs/dbraw/zinc/54/58/07/473545807.db2.gz ZVWDJVUYHUZXTD-NQIIRXRSSA-N 1 3 345.531 2.605 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169091403 473546232 /nfs/dbraw/zinc/54/62/32/473546232.db2.gz FRJOXLRKMSAADY-IAGOWNOFSA-N 1 3 345.487 2.926 20 0 EFADHO C[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000127078010 473574172 /nfs/dbraw/zinc/57/41/72/473574172.db2.gz WAEKELMVGYFWKM-PKOBYXMFSA-N 1 3 343.515 2.793 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000115552193 473579754 /nfs/dbraw/zinc/57/97/54/473579754.db2.gz BOIGCUNFOBWYLE-PKOBYXMFSA-N 1 3 343.515 2.853 20 0 EFADHO CN1CCCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1 ZINC000178877135 473582998 /nfs/dbraw/zinc/58/29/98/473582998.db2.gz KTRDWGBXXWQFOU-UHFFFAOYSA-N 1 3 338.455 2.540 20 0 EFADHO C[NH+](C)CCC1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000115738762 473598710 /nfs/dbraw/zinc/59/87/10/473598710.db2.gz UPBJGPBONBMNLC-IBGZPJMESA-N 1 3 329.488 2.846 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)CC(C)C ZINC000115793252 473603494 /nfs/dbraw/zinc/60/34/94/473603494.db2.gz NFAQVGAQWYJPHL-ZWKOTPCHSA-N 1 3 340.556 2.726 20 0 EFADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049914 473615002 /nfs/dbraw/zinc/61/50/02/473615002.db2.gz NKSMJROAWQKVJM-MOPGFXCFSA-N 1 3 342.483 2.926 20 0 EFADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049914 473615006 /nfs/dbraw/zinc/61/50/06/473615006.db2.gz NKSMJROAWQKVJM-MOPGFXCFSA-N 1 3 342.483 2.926 20 0 EFADHO CC[C@@H](C)[N@H+](C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000170915502 473644482 /nfs/dbraw/zinc/64/44/82/473644482.db2.gz QVPZAJQRYSPAEH-GOSISDBHSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000170915502 473644486 /nfs/dbraw/zinc/64/44/86/473644486.db2.gz QVPZAJQRYSPAEH-GOSISDBHSA-N 1 3 331.504 2.760 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(CC(C)C)CC3)CC2)CC1 ZINC000620284778 480054414 /nfs/dbraw/zinc/05/44/14/480054414.db2.gz JOOGWQYLLRIXRF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000192553324 473691991 /nfs/dbraw/zinc/69/19/91/473691991.db2.gz LGXOECXPJWKOGB-HXUWFJFHSA-N 1 3 341.499 2.642 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)c2ccccc2OCCN(C)C)c1 ZINC000269134690 473705014 /nfs/dbraw/zinc/70/50/14/473705014.db2.gz PXQHUQFKXUKPFU-UHFFFAOYSA-N 1 3 327.428 2.599 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668055 473708634 /nfs/dbraw/zinc/70/86/34/473708634.db2.gz LINKSLPFFQNPAL-IZBJGVDFSA-N 1 3 343.515 2.791 20 0 EFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000192722951 473712172 /nfs/dbraw/zinc/71/21/72/473712172.db2.gz FWRTZZMTGHTGDI-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000192722951 473712179 /nfs/dbraw/zinc/71/21/79/473712179.db2.gz FWRTZZMTGHTGDI-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccnn1C ZINC000192741251 473717082 /nfs/dbraw/zinc/71/70/82/473717082.db2.gz QTRBDGHMZWQAHO-GOSISDBHSA-N 1 3 341.503 2.673 20 0 EFADHO CC[C@@H](O)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192774727 473723221 /nfs/dbraw/zinc/72/32/21/473723221.db2.gz JYKNIMWIOLJQSO-OAQYLSRUSA-N 1 3 347.547 2.676 20 0 EFADHO CC[C@@H](O)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192774727 473723228 /nfs/dbraw/zinc/72/32/28/473723228.db2.gz JYKNIMWIOLJQSO-OAQYLSRUSA-N 1 3 347.547 2.676 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262813063 473725719 /nfs/dbraw/zinc/72/57/19/473725719.db2.gz RKCRBSXRYXRVKN-QAPCUYQASA-N 1 3 347.528 2.952 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262813063 473725731 /nfs/dbraw/zinc/72/57/31/473725731.db2.gz RKCRBSXRYXRVKN-QAPCUYQASA-N 1 3 347.528 2.952 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000245616724 473726343 /nfs/dbraw/zinc/72/63/43/473726343.db2.gz NFMWEEQNMJPCEF-FXAWDEMLSA-N 1 3 330.520 2.719 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000245616724 473726357 /nfs/dbraw/zinc/72/63/57/473726357.db2.gz NFMWEEQNMJPCEF-FXAWDEMLSA-N 1 3 330.520 2.719 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000245610378 473727457 /nfs/dbraw/zinc/72/74/57/473727457.db2.gz SKOZZYLTPHAILV-BPUTZDHNSA-N 1 3 325.497 2.610 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000245610378 473727463 /nfs/dbraw/zinc/72/74/63/473727463.db2.gz SKOZZYLTPHAILV-BPUTZDHNSA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269222504 473738305 /nfs/dbraw/zinc/73/83/05/473738305.db2.gz ACMRBFPNVGESMB-MRXNPFEDSA-N 1 3 342.487 2.594 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269235882 473743049 /nfs/dbraw/zinc/74/30/49/473743049.db2.gz BLANTFSMNQSCBE-HXUWFJFHSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000269245004 473746934 /nfs/dbraw/zinc/74/69/34/473746934.db2.gz ZHUIPSGHOULLFN-HLIPFELVSA-N 1 3 343.515 2.525 20 0 EFADHO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC[C@@H]3CCCN3C)ccc2NC1=O ZINC000180034309 473781153 /nfs/dbraw/zinc/78/11/53/473781153.db2.gz HLDWJOQYDODGFY-JLJPHGGASA-N 1 3 331.460 2.931 20 0 EFADHO C[NH+](C)CCN1CCC(N[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180077566 473791777 /nfs/dbraw/zinc/79/17/77/473791777.db2.gz CWMPYXKVTYLFKU-NRFANRHFSA-N 1 3 338.499 2.787 20 0 EFADHO C[NH+](C)CCN1CCC(N[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180077577 473792030 /nfs/dbraw/zinc/79/20/30/473792030.db2.gz CWMPYXKVTYLFKU-OAQYLSRUSA-N 1 3 338.499 2.787 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246194185 473796686 /nfs/dbraw/zinc/79/66/86/473796686.db2.gz MQTGAFHJPHLNHD-KZNAEPCWSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000274400630 473807905 /nfs/dbraw/zinc/80/79/05/473807905.db2.gz SFTVKRNBDJSMHS-UHFFFAOYSA-N 1 3 348.487 2.657 20 0 EFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000274412727 473813308 /nfs/dbraw/zinc/81/33/08/473813308.db2.gz JKUSRUCYCVJRAY-PMPSAXMXSA-N 1 3 343.471 2.524 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OC ZINC000173427828 473835193 /nfs/dbraw/zinc/83/51/93/473835193.db2.gz XMGWCTDOUQYDQE-HOTGVXAUSA-N 1 3 348.487 2.855 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000246369877 473841952 /nfs/dbraw/zinc/84/19/52/473841952.db2.gz HYLDUZOCRWKHAR-AYBZRNKSSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000246369877 473841962 /nfs/dbraw/zinc/84/19/62/473841962.db2.gz HYLDUZOCRWKHAR-AYBZRNKSSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000246369887 473843055 /nfs/dbraw/zinc/84/30/55/473843055.db2.gz HYLDUZOCRWKHAR-SUMDDJOVSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000246369887 473843059 /nfs/dbraw/zinc/84/30/59/473843059.db2.gz HYLDUZOCRWKHAR-SUMDDJOVSA-N 1 3 344.503 2.522 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1[C@@H](O)CC ZINC000246375563 473843446 /nfs/dbraw/zinc/84/34/46/473843446.db2.gz MSPMNRDBBPTJBM-ZAWDAWMMSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1[C@@H](O)CC ZINC000246375563 473843453 /nfs/dbraw/zinc/84/34/53/473843453.db2.gz MSPMNRDBBPTJBM-ZAWDAWMMSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000246375563 473843465 /nfs/dbraw/zinc/84/34/65/473843465.db2.gz MSPMNRDBBPTJBM-ZAWDAWMMSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000246375563 473843471 /nfs/dbraw/zinc/84/34/71/473843471.db2.gz MSPMNRDBBPTJBM-ZAWDAWMMSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246378088 473843646 /nfs/dbraw/zinc/84/36/46/473843646.db2.gz ISDJFVFSJLOKGR-NZSAHSFTSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246378088 473843653 /nfs/dbraw/zinc/84/36/53/473843653.db2.gz ISDJFVFSJLOKGR-NZSAHSFTSA-N 1 3 341.499 2.640 20 0 EFADHO Clc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000246417337 473857330 /nfs/dbraw/zinc/85/73/30/473857330.db2.gz IEWSUCSCDPPWTH-CABCVRRESA-N 1 3 336.863 2.870 20 0 EFADHO Clc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000246417337 473857339 /nfs/dbraw/zinc/85/73/39/473857339.db2.gz IEWSUCSCDPPWTH-CABCVRRESA-N 1 3 336.863 2.870 20 0 EFADHO C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288188375 473869987 /nfs/dbraw/zinc/86/99/87/473869987.db2.gz PYZNDRNNJHIFTH-AEFFLSMTSA-N 1 3 346.519 2.709 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000173562031 473877572 /nfs/dbraw/zinc/87/75/72/473877572.db2.gz CFTPYHXBQKUERG-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO c1cc2c(cccc2C[NH2+]CCCN2CCN(c3ccncc3)CC2)[nH]1 ZINC000263852133 473877805 /nfs/dbraw/zinc/87/78/05/473877805.db2.gz OZDABBPANJQIFD-UHFFFAOYSA-N 1 3 349.482 2.865 20 0 EFADHO c1cc2cccc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)c2[nH]1 ZINC000263859864 473880492 /nfs/dbraw/zinc/88/04/92/473880492.db2.gz VDBJOWWCFVVTPF-UHFFFAOYSA-N 1 3 349.482 2.865 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000288251292 473887837 /nfs/dbraw/zinc/88/78/37/473887837.db2.gz UKRIWYZUHVHMEX-SJLPKXTDSA-N 1 3 334.508 2.661 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000173617096 473891911 /nfs/dbraw/zinc/89/19/11/473891911.db2.gz OEHVRCXRSAYJIX-IRXDYDNUSA-N 1 3 331.504 2.757 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878368 473904976 /nfs/dbraw/zinc/90/49/76/473904976.db2.gz QQJHAFSQTCOLPQ-SFHVURJKSA-N 1 3 337.458 2.959 20 0 EFADHO CCN(CC)Cc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000173662524 473908461 /nfs/dbraw/zinc/90/84/61/473908461.db2.gz WDYFKWUKKTWVIL-UHFFFAOYSA-N 1 3 332.473 2.738 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000246585065 473908548 /nfs/dbraw/zinc/90/85/48/473908548.db2.gz SRHOJJIENAJGQB-GHTZIAJQSA-N 1 3 345.531 2.858 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000281995466 473911164 /nfs/dbraw/zinc/91/11/64/473911164.db2.gz CRFPLVOWUHMLJE-ICSRJNTNSA-N 1 3 334.504 2.964 20 0 EFADHO C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H](c1ccccc1)N(C)C ZINC000288342187 473914509 /nfs/dbraw/zinc/91/45/09/473914509.db2.gz YVMRIGLAYNPOOV-FUHWJXTLSA-N 1 3 346.519 2.804 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246702561 473937473 /nfs/dbraw/zinc/93/74/73/473937473.db2.gz YMMFUKWOBAAZOB-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246791470 473962037 /nfs/dbraw/zinc/96/20/37/473962037.db2.gz ZZRKAXGIQAXLEL-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246791470 473962048 /nfs/dbraw/zinc/96/20/48/473962048.db2.gz ZZRKAXGIQAXLEL-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1ccc(C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)cc1 ZINC000282161463 473965946 /nfs/dbraw/zinc/96/59/46/473965946.db2.gz DJSPZYFPWSBXGP-HXUWFJFHSA-N 1 3 329.532 2.932 20 0 EFADHO c1ccc2c(c1)[nH]c1c2C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000282163356 473966910 /nfs/dbraw/zinc/96/69/10/473966910.db2.gz DMPFYEPVZUYRMT-DOTOQJQBSA-N 1 3 339.483 2.726 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000274816151 473970445 /nfs/dbraw/zinc/97/04/45/473970445.db2.gz PLXHKMPSWYABBQ-HNNXBMFYSA-N 1 3 332.492 2.581 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](O)CN1CCCC1 ZINC000288543697 473976296 /nfs/dbraw/zinc/97/62/96/473976296.db2.gz AMEUYSCDRKAKKU-KXBFYZLASA-N 1 3 327.472 2.900 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)nc1 ZINC000246885658 473993574 /nfs/dbraw/zinc/99/35/74/473993574.db2.gz IKHQDPARZUQSKS-IAGOWNOFSA-N 1 3 330.476 2.525 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)nc1 ZINC000246885658 473993577 /nfs/dbraw/zinc/99/35/77/473993577.db2.gz IKHQDPARZUQSKS-IAGOWNOFSA-N 1 3 330.476 2.525 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)[C@@H](C)C1 ZINC000246890987 473994737 /nfs/dbraw/zinc/99/47/37/473994737.db2.gz DUOBAGGXSWQWFQ-UHOSZYNNSA-N 1 3 332.488 2.983 20 0 EFADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998616 473997455 /nfs/dbraw/zinc/99/74/55/473997455.db2.gz LOGOPSJINHKXIG-HZPDHXFCSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181097119 474004665 /nfs/dbraw/zinc/00/46/65/474004665.db2.gz BIYJKPQMQBSQFM-GJZGRUSLSA-N 1 3 331.460 2.913 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000246937041 474008871 /nfs/dbraw/zinc/00/88/71/474008871.db2.gz GTZKVCWVEVQMJG-YRNRMSPPSA-N 1 3 347.503 2.602 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000246937041 474008876 /nfs/dbraw/zinc/00/88/76/474008876.db2.gz GTZKVCWVEVQMJG-YRNRMSPPSA-N 1 3 347.503 2.602 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000246940386 474009924 /nfs/dbraw/zinc/00/99/24/474009924.db2.gz HPWOVPHQAKKUAY-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274917730 474011953 /nfs/dbraw/zinc/01/19/53/474011953.db2.gz OPQJKTJZJCJQAG-YQVWRLOYSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917730 474011959 /nfs/dbraw/zinc/01/19/59/474011959.db2.gz OPQJKTJZJCJQAG-YQVWRLOYSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917730 474011965 /nfs/dbraw/zinc/01/19/65/474011965.db2.gz OPQJKTJZJCJQAG-YQVWRLOYSA-N 1 3 331.504 2.791 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCOCC3)CC2)c1 ZINC000174258165 474014365 /nfs/dbraw/zinc/01/43/65/474014365.db2.gz AEABMPZUZYWLIG-UHFFFAOYSA-N 1 3 331.504 2.666 20 0 EFADHO C[C@H](c1nc2ccccc2o1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000181202680 474015825 /nfs/dbraw/zinc/01/58/25/474015825.db2.gz WVNSCCPYSPHQGX-OAHLLOKOSA-N 1 3 330.476 2.847 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2ccccc2n1 ZINC000282320303 474021062 /nfs/dbraw/zinc/02/10/62/474021062.db2.gz NOCCVNRACZQEIJ-INIZCTEOSA-N 1 3 326.488 2.911 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246974746 474021468 /nfs/dbraw/zinc/02/14/68/474021468.db2.gz JIRFRFUTVHXGHS-GGPKGHCWSA-N 1 3 330.520 2.614 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000181279797 474022160 /nfs/dbraw/zinc/02/21/60/474022160.db2.gz BNTGLPOCCKKFLX-QRQLOZEOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)c2)CCO1 ZINC000246981113 474024060 /nfs/dbraw/zinc/02/40/60/474024060.db2.gz JQYHUSKRVVVENN-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2)CCO1 ZINC000246981113 474024064 /nfs/dbraw/zinc/02/40/64/474024064.db2.gz JQYHUSKRVVVENN-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)CCO1 ZINC000246981113 474024071 /nfs/dbraw/zinc/02/40/71/474024071.db2.gz JQYHUSKRVVVENN-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO Cc1cccc(C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c1 ZINC000282333769 474025360 /nfs/dbraw/zinc/02/53/60/474025360.db2.gz OHUPHWHAXDCKKU-HXUWFJFHSA-N 1 3 329.532 2.932 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195191256 474026332 /nfs/dbraw/zinc/02/63/32/474026332.db2.gz RLFAQUXCYBBELI-YJBOKZPZSA-N 1 3 325.497 2.565 20 0 EFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000282347702 474030791 /nfs/dbraw/zinc/03/07/91/474030791.db2.gz PBWMMGQKAOAEFO-KRWDZBQOSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000195254238 474040192 /nfs/dbraw/zinc/04/01/92/474040192.db2.gz ZKHBEBVDMSBAFV-INIZCTEOSA-N 1 3 332.492 2.990 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247033848 474044069 /nfs/dbraw/zinc/04/40/69/474044069.db2.gz GKYVWOZMDXYKSR-CVEARBPZSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000188286484 474044695 /nfs/dbraw/zinc/04/46/95/474044695.db2.gz SWJHNWSNIMKUET-HNNXBMFYSA-N 1 3 331.435 2.882 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CSCCc3ccccc32)CC1(C)C ZINC000282383573 474045130 /nfs/dbraw/zinc/04/51/30/474045130.db2.gz QTUHMKQUTTZZAV-GOSISDBHSA-N 1 3 333.545 2.633 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000174467569 474046251 /nfs/dbraw/zinc/04/62/51/474046251.db2.gz LTMIBQUGLMMXNB-HNNXBMFYSA-N 1 3 348.535 2.518 20 0 EFADHO CCC(CC)(CC)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000174468482 474046276 /nfs/dbraw/zinc/04/62/76/474046276.db2.gz SUMBFDBPUQBJCP-UHFFFAOYSA-N 1 3 338.540 2.813 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000247045379 474046501 /nfs/dbraw/zinc/04/65/01/474046501.db2.gz MXXKPCABYKNYRW-AZUAARDMSA-N 1 3 333.520 2.849 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000247045379 474046507 /nfs/dbraw/zinc/04/65/07/474046507.db2.gz MXXKPCABYKNYRW-AZUAARDMSA-N 1 3 333.520 2.849 20 0 EFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000247056823 474050971 /nfs/dbraw/zinc/05/09/71/474050971.db2.gz NOQITJROMKWIST-YTGMWSOZSA-N 1 3 346.519 2.514 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[C@H](C)C1 ZINC000247073022 474055475 /nfs/dbraw/zinc/05/54/75/474055475.db2.gz QHSVSBARIKNZTJ-NRSPTQNISA-N 1 3 329.532 2.871 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2nccn2Cc2ccccc2)[C@@H](C)C1 ZINC000247074432 474057650 /nfs/dbraw/zinc/05/76/50/474057650.db2.gz OMDFTKJIXMQACQ-PKOBYXMFSA-N 1 3 326.488 2.794 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2nccn2Cc2ccccc2)[C@@H](C)C1 ZINC000247074432 474057654 /nfs/dbraw/zinc/05/76/54/474057654.db2.gz OMDFTKJIXMQACQ-PKOBYXMFSA-N 1 3 326.488 2.794 20 0 EFADHO Cc1ccc(OC(F)F)c(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282429177 474061577 /nfs/dbraw/zinc/06/15/77/474061577.db2.gz RGIHOKANSYKZKF-UHFFFAOYSA-N 1 3 341.446 2.712 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247100740 474064791 /nfs/dbraw/zinc/06/47/91/474064791.db2.gz PZPQNIWTJDOYDY-ZJOUEHCJSA-N 1 3 344.547 2.517 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247100740 474064799 /nfs/dbraw/zinc/06/47/99/474064799.db2.gz PZPQNIWTJDOYDY-ZJOUEHCJSA-N 1 3 344.547 2.517 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(Br)cc2)CC1(C)C ZINC000282434986 474065131 /nfs/dbraw/zinc/06/51/31/474065131.db2.gz RPOJRTXNTVDBOC-UHFFFAOYSA-N 1 3 340.309 2.565 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282450716 474070284 /nfs/dbraw/zinc/07/02/84/474070284.db2.gz VALCLWDTKRUJDV-SJORKVTESA-N 1 3 333.520 2.803 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1N(C)C ZINC000282451508 474071404 /nfs/dbraw/zinc/07/14/04/474071404.db2.gz VCDMMIFOZBYDEH-OAHLLOKOSA-N 1 3 336.499 2.568 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000264680030 474085199 /nfs/dbraw/zinc/08/51/99/474085199.db2.gz CHSMXUXSXKBJCT-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000264680030 474085204 /nfs/dbraw/zinc/08/52/04/474085204.db2.gz CHSMXUXSXKBJCT-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264685964 474088322 /nfs/dbraw/zinc/08/83/22/474088322.db2.gz FESJBTJFAOICMT-QGZVFWFLSA-N 1 3 340.895 2.886 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264685964 474088330 /nfs/dbraw/zinc/08/83/30/474088330.db2.gz FESJBTJFAOICMT-QGZVFWFLSA-N 1 3 340.895 2.886 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525099 474097853 /nfs/dbraw/zinc/09/78/53/474097853.db2.gz UXZAXWQORZZIEM-XYVMCAHJSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525099 474097859 /nfs/dbraw/zinc/09/78/59/474097859.db2.gz UXZAXWQORZZIEM-XYVMCAHJSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000195598987 474101880 /nfs/dbraw/zinc/10/18/80/474101880.db2.gz PPHTZQPERZULCL-ZHALLVOQSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174961160 474123376 /nfs/dbraw/zinc/12/33/76/474123376.db2.gz BCHIFBIDVAPMRZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174961160 474123382 /nfs/dbraw/zinc/12/33/82/474123382.db2.gz BCHIFBIDVAPMRZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247509962 474167404 /nfs/dbraw/zinc/16/74/04/474167404.db2.gz YHGKJTUZCHRCDN-IEBWSBKVSA-N 1 3 346.519 2.566 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247509962 474167410 /nfs/dbraw/zinc/16/74/10/474167410.db2.gz YHGKJTUZCHRCDN-IEBWSBKVSA-N 1 3 346.519 2.566 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1cccnc1 ZINC000289183064 474175165 /nfs/dbraw/zinc/17/51/65/474175165.db2.gz AQHNDWQBHHYGOP-UHFFFAOYSA-N 1 3 327.476 2.790 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1cccnc1 ZINC000289183064 474175169 /nfs/dbraw/zinc/17/51/69/474175169.db2.gz AQHNDWQBHHYGOP-UHFFFAOYSA-N 1 3 327.476 2.790 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000223541638 474186981 /nfs/dbraw/zinc/18/69/81/474186981.db2.gz IGIAZBXULUXCJF-INIZCTEOSA-N 1 3 325.497 2.706 20 0 EFADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)cc(OC)c1O ZINC000289253425 474198749 /nfs/dbraw/zinc/19/87/49/474198749.db2.gz BRHNEJWLCLBVDB-UHFFFAOYSA-N 1 3 336.476 2.963 20 0 EFADHO CN(C)c1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000608749743 480086026 /nfs/dbraw/zinc/08/60/26/480086026.db2.gz OUBSODCPLNYWKG-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO COc1ccc2oc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)cc2c1 ZINC000270669322 474215025 /nfs/dbraw/zinc/21/50/25/474215025.db2.gz VVPPIBIXJXYNEZ-RTBURBONSA-N 1 3 344.455 2.909 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453600 474219737 /nfs/dbraw/zinc/21/97/37/474219737.db2.gz UUFHZZDSZJQGGL-UXHICEINSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453600 474219744 /nfs/dbraw/zinc/21/97/44/474219744.db2.gz UUFHZZDSZJQGGL-UXHICEINSA-N 1 3 345.531 2.788 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000289318509 474222008 /nfs/dbraw/zinc/22/20/08/474222008.db2.gz ULLJIMDLLRZHFS-IYARVYRRSA-N 1 3 343.515 2.780 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000247955172 474231628 /nfs/dbraw/zinc/23/16/28/474231628.db2.gz FLPITJQKPUVQAY-UTJXIGIESA-N 1 3 325.447 2.886 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175487160 474232703 /nfs/dbraw/zinc/23/27/03/474232703.db2.gz MDJDQRJMCMAYOD-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175487160 474232709 /nfs/dbraw/zinc/23/27/09/474232709.db2.gz MDJDQRJMCMAYOD-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCN2CCCC2)CC1 ZINC000182691490 474234979 /nfs/dbraw/zinc/23/49/79/474234979.db2.gz FEZAOMUNWMSOMJ-INIZCTEOSA-N 1 3 325.497 2.852 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000247969221 474235489 /nfs/dbraw/zinc/23/54/89/474235489.db2.gz ISNSIDSLJVNPAA-HZPDHXFCSA-N 1 3 328.464 2.577 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265561640 474253917 /nfs/dbraw/zinc/25/39/17/474253917.db2.gz FSFGJZZFKDNQFM-SFHVURJKSA-N 1 3 331.460 2.816 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265561640 474253926 /nfs/dbraw/zinc/25/39/26/474253926.db2.gz FSFGJZZFKDNQFM-SFHVURJKSA-N 1 3 331.460 2.816 20 0 EFADHO COc1ccc(OC)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000248063453 474254256 /nfs/dbraw/zinc/25/42/56/474254256.db2.gz MALVMWVDGTUZEQ-CVEARBPZSA-N 1 3 336.476 2.591 20 0 EFADHO COc1ccc(OC)c([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000248063453 474254260 /nfs/dbraw/zinc/25/42/60/474254260.db2.gz MALVMWVDGTUZEQ-CVEARBPZSA-N 1 3 336.476 2.591 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000230940514 474262425 /nfs/dbraw/zinc/26/24/25/474262425.db2.gz FEMKSKQNFIMDMZ-HOTGVXAUSA-N 1 3 327.513 2.715 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000275655487 474270092 /nfs/dbraw/zinc/27/00/92/474270092.db2.gz ASKITZSIWUWABT-LJQANCHMSA-N 1 3 325.460 2.569 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000283030943 474278122 /nfs/dbraw/zinc/27/81/22/474278122.db2.gz HQLMOHBZMCGALX-OALUTQOASA-N 1 3 341.499 2.566 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000283030943 474278130 /nfs/dbraw/zinc/27/81/30/474278130.db2.gz HQLMOHBZMCGALX-OALUTQOASA-N 1 3 341.499 2.566 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)N1CCc2ccccc2C1 ZINC000236677964 474278874 /nfs/dbraw/zinc/27/88/74/474278874.db2.gz JWCHDKADIRYWGJ-LJQANCHMSA-N 1 3 343.515 2.705 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890638 474279667 /nfs/dbraw/zinc/27/96/67/474279667.db2.gz USAJJFZBKODOPK-IAGOWNOFSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890638 474279674 /nfs/dbraw/zinc/27/96/74/474279674.db2.gz USAJJFZBKODOPK-IAGOWNOFSA-N 1 3 338.540 2.621 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000236709685 474282562 /nfs/dbraw/zinc/28/25/62/474282562.db2.gz PHXFYZKSNOCYRE-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1 ZINC000236709685 474282569 /nfs/dbraw/zinc/28/25/69/474282569.db2.gz PHXFYZKSNOCYRE-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CC1(C)CC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC(C)(C)[NH2+]1 ZINC000289468925 474284529 /nfs/dbraw/zinc/28/45/29/474284529.db2.gz YWVWASVECWAATF-HZPDHXFCSA-N 1 3 344.455 2.716 20 0 EFADHO Cc1cc(NC(=O)[C@H](N)CC(C)C)ccc1OCC[NH+]1CCCC1 ZINC000236746226 474285453 /nfs/dbraw/zinc/28/54/53/474285453.db2.gz IWNQBDBLMCALFZ-QGZVFWFLSA-N 1 3 333.476 2.782 20 0 EFADHO CCCN(C(=O)[C@@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756068 474285585 /nfs/dbraw/zinc/28/55/85/474285585.db2.gz ZKVLQQHTAPUEHD-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236830064 474290768 /nfs/dbraw/zinc/29/07/68/474290768.db2.gz UDUHHBQXMWVAKE-QFBILLFUSA-N 1 3 335.467 2.527 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069012 474291365 /nfs/dbraw/zinc/29/13/65/474291365.db2.gz JZHDIYKLOLVKOU-ICSRJNTNSA-N 1 3 343.515 2.955 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069012 474291371 /nfs/dbraw/zinc/29/13/71/474291371.db2.gz JZHDIYKLOLVKOU-ICSRJNTNSA-N 1 3 343.515 2.955 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175754159 474298858 /nfs/dbraw/zinc/29/88/58/474298858.db2.gz HIUBLUNBTGSHLW-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000248393827 474304368 /nfs/dbraw/zinc/30/43/68/474304368.db2.gz HECWXMDCEYDJGG-YTQUADARSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000248393827 474304373 /nfs/dbraw/zinc/30/43/73/474304373.db2.gz HECWXMDCEYDJGG-YTQUADARSA-N 1 3 329.488 2.670 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1 ZINC000236923759 474304829 /nfs/dbraw/zinc/30/48/29/474304829.db2.gz KTMDFKMERWHOQQ-HXUWFJFHSA-N 1 3 339.483 2.887 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000175775412 474305417 /nfs/dbraw/zinc/30/54/17/474305417.db2.gz YGDSLEFCVUXZIS-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000175775412 474305423 /nfs/dbraw/zinc/30/54/23/474305423.db2.gz YGDSLEFCVUXZIS-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCCCNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248393993 474306077 /nfs/dbraw/zinc/30/60/77/474306077.db2.gz HFAVQMQDNGSOFS-YRWFTTLQSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@H]1C ZINC000248394612 474306164 /nfs/dbraw/zinc/30/61/64/474306164.db2.gz FQQGHPDJPPJOIQ-JTDSTZFVSA-N 1 3 331.504 2.892 20 0 EFADHO CS[C@@H]1CCCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402048 474308821 /nfs/dbraw/zinc/30/88/21/474308821.db2.gz UEWVWBZTYOQDFH-MSOLQXFVSA-N 1 3 349.544 2.623 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236951258 474309935 /nfs/dbraw/zinc/30/99/35/474309935.db2.gz IJNUBUYTZDKDHR-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236951258 474309945 /nfs/dbraw/zinc/30/99/45/474309945.db2.gz IJNUBUYTZDKDHR-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO CCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289533380 474310807 /nfs/dbraw/zinc/31/08/07/474310807.db2.gz WDQQWINWGKPUJV-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248407917 474312896 /nfs/dbraw/zinc/31/28/96/474312896.db2.gz UVTMBYNTKVDGNZ-MHTWAQMVSA-N 1 3 346.515 2.664 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189168749 474313700 /nfs/dbraw/zinc/31/37/00/474313700.db2.gz RMDQGAXAWOKPKU-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248411926 474313915 /nfs/dbraw/zinc/31/39/15/474313915.db2.gz ZSWJDFORNMQZOL-LTIDMASMSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248411926 474313923 /nfs/dbraw/zinc/31/39/23/474313923.db2.gz ZSWJDFORNMQZOL-LTIDMASMSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(=O)NC(C)(C)C ZINC000248414478 474313954 /nfs/dbraw/zinc/31/39/54/474313954.db2.gz MSXVDSVRWCWDBU-JCHJZTRSSA-N 1 3 343.515 2.790 20 0 EFADHO CCc1ccc([C@H](CNC(=O)c2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000236981232 474316065 /nfs/dbraw/zinc/31/60/65/474316065.db2.gz FJSOJFYZGWMKBU-IBGZPJMESA-N 1 3 325.456 2.740 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236995964 474319932 /nfs/dbraw/zinc/31/99/32/474319932.db2.gz BTAOKJIFKUMTBY-BEFAXECRSA-N 1 3 344.503 2.531 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237038551 474327135 /nfs/dbraw/zinc/32/71/35/474327135.db2.gz OUQBQCIAHXBNTJ-LJQANCHMSA-N 1 3 325.456 2.845 20 0 EFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCCCN3)cc2)CC1 ZINC000237096321 474336899 /nfs/dbraw/zinc/33/68/99/474336899.db2.gz AKSKABRHJLYSPP-LJQANCHMSA-N 1 3 344.503 2.545 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237136484 474344776 /nfs/dbraw/zinc/34/47/76/474344776.db2.gz NLEMZMZNANAFNX-OALUTQOASA-N 1 3 325.456 2.886 20 0 EFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237202758 474357524 /nfs/dbraw/zinc/35/75/24/474357524.db2.gz YSWQTEVYNYQCRY-OALUTQOASA-N 1 3 347.503 2.541 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCN(C2CCCC2)CC1 ZINC000176019969 474364802 /nfs/dbraw/zinc/36/48/02/474364802.db2.gz CHPZIRJNTKSGKQ-UHFFFAOYSA-N 1 3 348.535 2.663 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237246791 474365738 /nfs/dbraw/zinc/36/57/38/474365738.db2.gz DYRUQZQOJLLSMS-FQEVSTJZSA-N 1 3 344.503 2.536 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000289673416 474372738 /nfs/dbraw/zinc/37/27/38/474372738.db2.gz AKCFZCOUXNTSCC-GTAWCEEGSA-N 1 3 343.515 2.790 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000237321613 474381369 /nfs/dbraw/zinc/38/13/69/474381369.db2.gz CYWGQIUTIUVWBW-QAPCUYQASA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000237321613 474381374 /nfs/dbraw/zinc/38/13/74/474381374.db2.gz CYWGQIUTIUVWBW-QAPCUYQASA-N 1 3 349.544 2.758 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916329 474384629 /nfs/dbraw/zinc/38/46/29/474384629.db2.gz APVFDUMOPGONOE-XLIONFOSSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916329 474384634 /nfs/dbraw/zinc/38/46/34/474384634.db2.gz APVFDUMOPGONOE-XLIONFOSSA-N 1 3 343.515 2.697 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000289717502 474391697 /nfs/dbraw/zinc/39/16/97/474391697.db2.gz LDBAAEKDJWUGSN-OALUTQOASA-N 1 3 338.467 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000289717502 474391704 /nfs/dbraw/zinc/39/17/04/474391704.db2.gz LDBAAEKDJWUGSN-OALUTQOASA-N 1 3 338.467 2.994 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@H]1C ZINC000248647044 474394044 /nfs/dbraw/zinc/39/40/44/474394044.db2.gz PRSSXDPARCLKDQ-GPMSIDNRSA-N 1 3 331.504 2.892 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674055 474401076 /nfs/dbraw/zinc/40/10/76/474401076.db2.gz WEODWQMGCVEANR-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176197363 474406104 /nfs/dbraw/zinc/40/61/04/474406104.db2.gz GKHOTJCVOOTJSI-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176197363 474406112 /nfs/dbraw/zinc/40/61/12/474406112.db2.gz GKHOTJCVOOTJSI-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237457252 474407571 /nfs/dbraw/zinc/40/75/71/474407571.db2.gz VUPBUAIBBUAJKK-FXAWDEMLSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237455403 474407847 /nfs/dbraw/zinc/40/78/47/474407847.db2.gz CSFNSBMCELVNRO-APWZRJJASA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237463147 474410202 /nfs/dbraw/zinc/41/02/02/474410202.db2.gz PKRHLSBGJRUDQN-IRXDYDNUSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](CC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237468419 474410525 /nfs/dbraw/zinc/41/05/25/474410525.db2.gz XEYCEBQQVPTMRI-FXAWDEMLSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000237463203 474410958 /nfs/dbraw/zinc/41/09/58/474410958.db2.gz OGMWKTBZKBVSIM-IAGOWNOFSA-N 1 3 347.503 2.900 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237479412 474414196 /nfs/dbraw/zinc/41/41/96/474414196.db2.gz DVJBBIRAXAETJH-FXAWDEMLSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000237480943 474414696 /nfs/dbraw/zinc/41/46/96/474414696.db2.gz VOEXVPRGKPBWAL-INIZCTEOSA-N 1 3 329.488 2.990 20 0 EFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000237489365 474415084 /nfs/dbraw/zinc/41/50/84/474415084.db2.gz VRAOPBJSTKMRBU-QZTJIDSGSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@H](C)O1 ZINC000248724927 474417358 /nfs/dbraw/zinc/41/73/58/474417358.db2.gz HTUGULYSYWNZQA-MTHXSQLBSA-N 1 3 336.520 2.813 20 0 EFADHO CN(c1ccccc1C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000289768699 474417865 /nfs/dbraw/zinc/41/78/65/474417865.db2.gz REXYVPKNUPIQIM-WOJBJXKFSA-N 1 3 331.504 2.562 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000289768699 474417871 /nfs/dbraw/zinc/41/78/71/474417871.db2.gz REXYVPKNUPIQIM-WOJBJXKFSA-N 1 3 331.504 2.562 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000237501919 474418819 /nfs/dbraw/zinc/41/88/19/474418819.db2.gz RZBKALVSHOLZHY-QKLQHJQFSA-N 1 3 343.515 2.668 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000183747045 474422231 /nfs/dbraw/zinc/42/22/31/474422231.db2.gz CEUIREUZFLYQET-ARFHVFGLSA-N 1 3 328.497 2.586 20 0 EFADHO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237531338 474424050 /nfs/dbraw/zinc/42/40/50/474424050.db2.gz UXIOTIOEUDFBOV-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237531338 474424056 /nfs/dbraw/zinc/42/40/56/474424056.db2.gz UXIOTIOEUDFBOV-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000248759043 474428465 /nfs/dbraw/zinc/42/84/65/474428465.db2.gz VRLXRBIMPBJVBI-YXJHDRRASA-N 1 3 335.517 2.779 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237564428 474429785 /nfs/dbraw/zinc/42/97/85/474429785.db2.gz DQIZFHCDADOCHW-AEFFLSMTSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237565473 474429926 /nfs/dbraw/zinc/42/99/26/474429926.db2.gz NXPSJSZADCXFNK-LULLPPNCSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560234 474430167 /nfs/dbraw/zinc/43/01/67/474430167.db2.gz CIHAULBGJOEQRX-FUHWJXTLSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237560234 474430176 /nfs/dbraw/zinc/43/01/76/474430176.db2.gz CIHAULBGJOEQRX-FUHWJXTLSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564285 474430305 /nfs/dbraw/zinc/43/03/05/474430305.db2.gz CIHAULBGJOEQRX-AEFFLSMTSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237564285 474430313 /nfs/dbraw/zinc/43/03/13/474430313.db2.gz CIHAULBGJOEQRX-AEFFLSMTSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237561312 474430376 /nfs/dbraw/zinc/43/03/76/474430376.db2.gz LUYVLTXLBJDTMW-UHOSZYNNSA-N 1 3 329.488 2.640 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000289852426 474455394 /nfs/dbraw/zinc/45/53/94/474455394.db2.gz BGSKJNFGTNLYMI-KSZLIROESA-N 1 3 348.462 2.789 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248849810 474455682 /nfs/dbraw/zinc/45/56/82/474455682.db2.gz DUSMMCVXNMNEEX-HZPDHXFCSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000248849810 474455688 /nfs/dbraw/zinc/45/56/88/474455688.db2.gz DUSMMCVXNMNEEX-HZPDHXFCSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000276220254 474458488 /nfs/dbraw/zinc/45/84/88/474458488.db2.gz ITYUBTKFMPPION-ZACQAIPSSA-N 1 3 331.504 2.668 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCCCN2)ccc1OCC[NH+]1CCCC1 ZINC000237716873 474464254 /nfs/dbraw/zinc/46/42/54/474464254.db2.gz QVZMVMDDNXGRLS-KRWDZBQOSA-N 1 3 331.460 2.550 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1nccc2ccccc21 ZINC000289873690 474464362 /nfs/dbraw/zinc/46/43/62/474464362.db2.gz SHCUZKKRMGMVNN-INIZCTEOSA-N 1 3 326.488 2.911 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289881905 474469852 /nfs/dbraw/zinc/46/98/52/474469852.db2.gz WSGDWOVHSLYHOW-ROUUACIJSA-N 1 3 346.471 2.919 20 0 EFADHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000237762542 474471198 /nfs/dbraw/zinc/47/11/98/474471198.db2.gz XVJSFLPRPSJTAJ-KRWDZBQOSA-N 1 3 347.478 2.816 20 0 EFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248929853 474485230 /nfs/dbraw/zinc/48/52/30/474485230.db2.gz XPPYVBDDBBUANE-VAMGGRTRSA-N 1 3 346.515 2.935 20 0 EFADHO N[C@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000237847047 474487227 /nfs/dbraw/zinc/48/72/27/474487227.db2.gz ZGEOLXHLMLGTJL-LJQANCHMSA-N 1 3 329.488 2.990 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289924874 474487983 /nfs/dbraw/zinc/48/79/83/474487983.db2.gz NYGADFAROUSSOK-NRFANRHFSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000271324065 474490734 /nfs/dbraw/zinc/49/07/34/474490734.db2.gz YVADLAIUPJKAKF-FUHWJXTLSA-N 1 3 331.504 2.874 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CCCCC2)N2CCCC2)cc1 ZINC000237915741 474501677 /nfs/dbraw/zinc/50/16/77/474501677.db2.gz ODPBZDSHMDMJRB-SFHVURJKSA-N 1 3 329.488 2.910 20 0 EFADHO [NH3+]C1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000237926316 474505005 /nfs/dbraw/zinc/50/50/05/474505005.db2.gz PRXRQJGWMBRGKG-OAHLLOKOSA-N 1 3 335.517 2.738 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000176618383 474509644 /nfs/dbraw/zinc/50/96/44/474509644.db2.gz JEMAQHWEAXOBDL-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000237969347 474512798 /nfs/dbraw/zinc/51/27/98/474512798.db2.gz DTCMQSZAEGHZPX-MRXNPFEDSA-N 1 3 329.469 2.774 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000249065481 474516371 /nfs/dbraw/zinc/51/63/71/474516371.db2.gz QDWZUPJSPYTABU-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO O=C([C@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000238008219 474521377 /nfs/dbraw/zinc/52/13/77/474521377.db2.gz BULGGLLNUXYCHM-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000238015739 474522451 /nfs/dbraw/zinc/52/24/51/474522451.db2.gz KEGBCWHVEUZBQD-JOCHJYFZSA-N 1 3 338.495 2.887 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000283908299 474523196 /nfs/dbraw/zinc/52/31/96/474523196.db2.gz BRGMBZWDMUFMGB-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000238026629 474524101 /nfs/dbraw/zinc/52/41/01/474524101.db2.gz IESOFDUKVGRQLE-WOJBJXKFSA-N 1 3 337.467 2.682 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000283908305 474524319 /nfs/dbraw/zinc/52/43/19/474524319.db2.gz BRGMBZWDMUFMGB-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO Cc1n[nH]c(C)c1CNCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283913040 474525316 /nfs/dbraw/zinc/52/53/16/474525316.db2.gz IJRBFHAORFGKPW-UHFFFAOYSA-N 1 3 328.460 2.789 20 0 EFADHO O=C(C[C@@H]1CSCC[NH2+]1)Nc1cccc(CN2CCCCC2)c1 ZINC000238067487 474530328 /nfs/dbraw/zinc/53/03/28/474530328.db2.gz QTQMIEWHQFEEAW-QGZVFWFLSA-N 1 3 333.501 2.706 20 0 EFADHO Cn1cc(CC[N@H+](C)CCC2CCN(c3ccncc3)CC2)cn1 ZINC000271406804 474531180 /nfs/dbraw/zinc/53/11/80/474531180.db2.gz YBSLDQGJWNMHGY-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO Cn1cc(CC[N@@H+](C)CCC2CCN(c3ccncc3)CC2)cn1 ZINC000271406804 474531187 /nfs/dbraw/zinc/53/11/87/474531187.db2.gz YBSLDQGJWNMHGY-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000290051763 474540426 /nfs/dbraw/zinc/54/04/26/474540426.db2.gz UCJSGTCSIYROIH-MSOLQXFVSA-N 1 3 347.528 2.605 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000271445968 474550262 /nfs/dbraw/zinc/55/02/62/474550262.db2.gz CXMCYAQFCLZTAT-XUVXKRRUSA-N 1 3 346.540 2.984 20 0 EFADHO CO[C@@]1(C)C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000249292512 474554544 /nfs/dbraw/zinc/55/45/44/474554544.db2.gz PZZNMHRCMNYSEQ-HKUYNNGSSA-N 1 3 325.541 2.538 20 0 EFADHO CO[C@@]1(C)C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000249292512 474554550 /nfs/dbraw/zinc/55/45/50/474554550.db2.gz PZZNMHRCMNYSEQ-HKUYNNGSSA-N 1 3 325.541 2.538 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000249352051 474559780 /nfs/dbraw/zinc/55/97/80/474559780.db2.gz QBBAAKJFKFOYFE-OALUTQOASA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000249352051 474559788 /nfs/dbraw/zinc/55/97/88/474559788.db2.gz QBBAAKJFKFOYFE-OALUTQOASA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)CNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184755033 474601204 /nfs/dbraw/zinc/60/12/04/474601204.db2.gz SMDXDAJACRHOEK-IRXDYDNUSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249752027 474610798 /nfs/dbraw/zinc/61/07/98/474610798.db2.gz BGKCCRDHKBPFQK-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249752027 474610803 /nfs/dbraw/zinc/61/08/03/474610803.db2.gz BGKCCRDHKBPFQK-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267184889 474612189 /nfs/dbraw/zinc/61/21/89/474612189.db2.gz LCYGOAWZXDVBPE-HKUYNNGSSA-N 1 3 333.520 2.626 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267184897 474612294 /nfs/dbraw/zinc/61/22/94/474612294.db2.gz LCYGOAWZXDVBPE-PKOBYXMFSA-N 1 3 333.520 2.626 20 0 EFADHO Cn1nccc1CC[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000284347554 474624339 /nfs/dbraw/zinc/62/43/39/474624339.db2.gz JWONDCXCWBOBKT-TZIWHRDSSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1nccc1CC[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000284347554 474624341 /nfs/dbraw/zinc/62/43/41/474624341.db2.gz JWONDCXCWBOBKT-TZIWHRDSSA-N 1 3 338.499 2.949 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000284348367 474624727 /nfs/dbraw/zinc/62/47/27/474624727.db2.gz MEDVQLDVEKKWDO-RBUKOAKNSA-N 1 3 343.515 2.876 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000284348367 474624730 /nfs/dbraw/zinc/62/47/30/474624730.db2.gz MEDVQLDVEKKWDO-RBUKOAKNSA-N 1 3 343.515 2.876 20 0 EFADHO CC[N@@H+]1CC[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000250124785 474629711 /nfs/dbraw/zinc/62/97/11/474629711.db2.gz WBEIWJDSRBZLBM-RDJZCZTQSA-N 1 3 337.508 2.874 20 0 EFADHO CC[N@H+]1CC[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000250124785 474629712 /nfs/dbraw/zinc/62/97/12/474629712.db2.gz WBEIWJDSRBZLBM-RDJZCZTQSA-N 1 3 337.508 2.874 20 0 EFADHO CCOc1ccc(C[NH+]2CCC(CN3CCOCC3)CC2)cc1F ZINC000278468298 474652593 /nfs/dbraw/zinc/65/25/93/474652593.db2.gz QBTULVIEIVCOPQ-UHFFFAOYSA-N 1 3 336.451 2.769 20 0 EFADHO CCN1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000304762750 474662390 /nfs/dbraw/zinc/66/23/90/474662390.db2.gz PZXXMZKUABFGBC-MGNMYUMUSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252477346 474662672 /nfs/dbraw/zinc/66/26/72/474662672.db2.gz MKRUOQBSOSWGNJ-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252477346 474662683 /nfs/dbraw/zinc/66/26/83/474662683.db2.gz MKRUOQBSOSWGNJ-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252477347 474662752 /nfs/dbraw/zinc/66/27/52/474662752.db2.gz MKRUOQBSOSWGNJ-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000252477347 474662759 /nfs/dbraw/zinc/66/27/59/474662759.db2.gz MKRUOQBSOSWGNJ-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000273007069 474668836 /nfs/dbraw/zinc/66/88/36/474668836.db2.gz OBHDLWCCVZUWJF-LJQANCHMSA-N 1 3 329.444 2.614 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000305005634 474670663 /nfs/dbraw/zinc/67/06/63/474670663.db2.gz NQOSFPIIJDCROV-HXUWFJFHSA-N 1 3 337.467 2.512 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000305005634 474670668 /nfs/dbraw/zinc/67/06/68/474670668.db2.gz NQOSFPIIJDCROV-HXUWFJFHSA-N 1 3 337.467 2.512 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)c(C)c2)CC1 ZINC000273014846 474672959 /nfs/dbraw/zinc/67/29/59/474672959.db2.gz WCSAFIPWHVEXSS-FQEVSTJZSA-N 1 3 344.503 2.608 20 0 EFADHO CC(C)[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305070066 474680672 /nfs/dbraw/zinc/68/06/72/474680672.db2.gz JCRQDECBAXDWLJ-FQEVSTJZSA-N 1 3 333.520 2.714 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc(Br)c1 ZINC000252715943 474710140 /nfs/dbraw/zinc/71/01/40/474710140.db2.gz XDUYCAJSJJGKDH-SWLSCSKDSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc(Br)c1 ZINC000252715943 474710150 /nfs/dbraw/zinc/71/01/50/474710150.db2.gz XDUYCAJSJJGKDH-SWLSCSKDSA-N 1 3 327.266 2.758 20 0 EFADHO CC[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000634076330 480121575 /nfs/dbraw/zinc/12/15/75/480121575.db2.gz DRLBIKCQOUFELF-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000340855358 474719901 /nfs/dbraw/zinc/71/99/01/474719901.db2.gz AMXJXHSYBKORGG-SNRMKQJTSA-N 1 3 346.519 2.634 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000340855358 474719911 /nfs/dbraw/zinc/71/99/11/474719911.db2.gz AMXJXHSYBKORGG-SNRMKQJTSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291856653 474721169 /nfs/dbraw/zinc/72/11/69/474721169.db2.gz DZEVDDMYNRSHNX-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291856653 474721175 /nfs/dbraw/zinc/72/11/75/474721175.db2.gz DZEVDDMYNRSHNX-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291856650 474721737 /nfs/dbraw/zinc/72/17/37/474721737.db2.gz DZEVDDMYNRSHNX-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291856650 474721746 /nfs/dbraw/zinc/72/17/46/474721746.db2.gz DZEVDDMYNRSHNX-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](CC)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284713316 474735810 /nfs/dbraw/zinc/73/58/10/474735810.db2.gz VEORJMQCGZDWDY-HZEGPAAWSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284713316 474735822 /nfs/dbraw/zinc/73/58/22/474735822.db2.gz VEORJMQCGZDWDY-HZEGPAAWSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000284713316 474735829 /nfs/dbraw/zinc/73/58/29/474735829.db2.gz VEORJMQCGZDWDY-HZEGPAAWSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284713326 474736395 /nfs/dbraw/zinc/73/63/95/474736395.db2.gz VEORJMQCGZDWDY-VMXMFDLUSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284713326 474736404 /nfs/dbraw/zinc/73/64/04/474736404.db2.gz VEORJMQCGZDWDY-VMXMFDLUSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000284713326 474736410 /nfs/dbraw/zinc/73/64/10/474736410.db2.gz VEORJMQCGZDWDY-VMXMFDLUSA-N 1 3 345.531 2.768 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000305749028 474765685 /nfs/dbraw/zinc/76/56/85/474765685.db2.gz WOCGVQVCPVJMHR-WIYYLYMNSA-N 1 3 345.531 2.810 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000305749028 474765693 /nfs/dbraw/zinc/76/56/93/474765693.db2.gz WOCGVQVCPVJMHR-WIYYLYMNSA-N 1 3 345.531 2.810 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000623060377 480125420 /nfs/dbraw/zinc/12/54/20/480125420.db2.gz KCKPQBGOOKCSQS-FUHWJXTLSA-N 1 3 330.476 2.744 20 0 EFADHO COC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000278700933 474783347 /nfs/dbraw/zinc/78/33/47/474783347.db2.gz HKKKBWXEMINJRU-LMCOJAPRSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000278700933 474783360 /nfs/dbraw/zinc/78/33/60/474783360.db2.gz HKKKBWXEMINJRU-LMCOJAPRSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717172 474784512 /nfs/dbraw/zinc/78/45/12/474784512.db2.gz BXAROSLUIJMSFX-MSOLQXFVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717172 474784520 /nfs/dbraw/zinc/78/45/20/474784520.db2.gz BXAROSLUIJMSFX-MSOLQXFVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000340928445 474786926 /nfs/dbraw/zinc/78/69/26/474786926.db2.gz DKGCIBBXJJQXNF-QFBILLFUSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCC[C@H]1C ZINC000340931377 474790148 /nfs/dbraw/zinc/79/01/48/474790148.db2.gz BIOKZNVJEVOXPA-FGTMMUONSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCC[C@H]1C ZINC000340931377 474790153 /nfs/dbraw/zinc/79/01/53/474790153.db2.gz BIOKZNVJEVOXPA-FGTMMUONSA-N 1 3 338.540 2.765 20 0 EFADHO CSC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000305829907 474793573 /nfs/dbraw/zinc/79/35/73/474793573.db2.gz DJBOEFYPCCJQKI-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000623055012 480126387 /nfs/dbraw/zinc/12/63/87/480126387.db2.gz FQZDHSRHMDWYCX-ZWKOTPCHSA-N 1 3 330.476 2.887 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000340937141 474797095 /nfs/dbraw/zinc/79/70/95/474797095.db2.gz PWWQCWPDVDGNKW-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000284849356 474798004 /nfs/dbraw/zinc/79/80/04/474798004.db2.gz CNLTZKXRNMLAMV-QGZVFWFLSA-N 1 3 329.488 2.630 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000284849356 474798018 /nfs/dbraw/zinc/79/80/18/474798018.db2.gz CNLTZKXRNMLAMV-QGZVFWFLSA-N 1 3 329.488 2.630 20 0 EFADHO COC(=O)c1ccc(-c2ccc(C[N@H+]3C[C@H]4CN(C)C[C@H]4C3)o2)cc1 ZINC000278733247 474802468 /nfs/dbraw/zinc/80/24/68/474802468.db2.gz RIGKSHKZTHWHRS-CALCHBBNSA-N 1 3 340.423 2.727 20 0 EFADHO COC(=O)c1ccc(-c2ccc(C[N@@H+]3C[C@H]4CN(C)C[C@H]4C3)o2)cc1 ZINC000278733247 474802480 /nfs/dbraw/zinc/80/24/80/474802480.db2.gz RIGKSHKZTHWHRS-CALCHBBNSA-N 1 3 340.423 2.727 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000340944094 474805119 /nfs/dbraw/zinc/80/51/19/474805119.db2.gz ZIWCNZSYIHTFCS-RCCFBDPRSA-N 1 3 338.540 2.525 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000623065040 480127205 /nfs/dbraw/zinc/12/72/05/480127205.db2.gz OBEPKPOKTJFNNS-ZWKOTPCHSA-N 1 3 344.503 2.992 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000293108899 474816136 /nfs/dbraw/zinc/81/61/36/474816136.db2.gz YHYCOIRUKVVHLG-LJQANCHMSA-N 1 3 332.444 2.602 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000293108899 474816146 /nfs/dbraw/zinc/81/61/46/474816146.db2.gz YHYCOIRUKVVHLG-LJQANCHMSA-N 1 3 332.444 2.602 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000309893616 474819344 /nfs/dbraw/zinc/81/93/44/474819344.db2.gz MYQDEHXCBQVJPT-QGZVFWFLSA-N 1 3 329.488 2.547 20 0 EFADHO CN(C)Cc1cccc(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)c1 ZINC000623068609 480127839 /nfs/dbraw/zinc/12/78/39/480127839.db2.gz FHMPQAFWZRYOQC-OAHLLOKOSA-N 1 3 339.443 2.603 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000623071047 480127889 /nfs/dbraw/zinc/12/78/89/480127889.db2.gz ZGNJLICUTWZTDA-SFHVURJKSA-N 1 3 344.503 2.990 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000340962478 474822572 /nfs/dbraw/zinc/82/25/72/474822572.db2.gz IDTXRFZDJVHFEI-KURKYZTESA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000340962481 474822992 /nfs/dbraw/zinc/82/29/92/474822992.db2.gz IDTXRFZDJVHFEI-SQNIBIBYSA-N 1 3 338.540 2.669 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccccc2)cc1 ZINC000310435944 474826973 /nfs/dbraw/zinc/82/69/73/474826973.db2.gz KMTVEHFGNIVSFO-UHFFFAOYSA-N 1 3 339.483 2.603 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1Cl ZINC000292078276 474836980 /nfs/dbraw/zinc/83/69/80/474836980.db2.gz LVJQLUJUOTUNDU-CYBMUJFWSA-N 1 3 339.867 2.751 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000340981419 474843322 /nfs/dbraw/zinc/84/33/22/474843322.db2.gz FCMWRMCBEKFKNN-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000268227863 474874903 /nfs/dbraw/zinc/87/49/03/474874903.db2.gz RSNXQLBAYJGASF-DYVFJYSZSA-N 1 3 341.455 2.707 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000317487224 474887189 /nfs/dbraw/zinc/88/71/89/474887189.db2.gz ZVPRHPDJTAXUMQ-JHJVBQTASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000317487224 474887197 /nfs/dbraw/zinc/88/71/97/474887197.db2.gz ZVPRHPDJTAXUMQ-JHJVBQTASA-N 1 3 347.286 2.805 20 0 EFADHO CN(C)CCN(C)CCC[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000623087732 480132324 /nfs/dbraw/zinc/13/23/24/480132324.db2.gz FYDZGSPISOLSHT-UHFFFAOYSA-N 1 3 326.488 2.722 20 0 EFADHO CC[C@@H](CO)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000337324867 474897282 /nfs/dbraw/zinc/89/72/82/474897282.db2.gz USBPGQCWWFCWQT-NRFANRHFSA-N 1 3 347.547 2.676 20 0 EFADHO CC[C@@H](CO)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000337324867 474897288 /nfs/dbraw/zinc/89/72/88/474897288.db2.gz USBPGQCWWFCWQT-NRFANRHFSA-N 1 3 347.547 2.676 20 0 EFADHO CC[NH+](CC)Cc1ccc(CN[C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000273456228 474907375 /nfs/dbraw/zinc/90/73/75/474907375.db2.gz GWXPGHYFDJBUSA-HXUWFJFHSA-N 1 3 339.483 2.715 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000337344435 474917695 /nfs/dbraw/zinc/91/76/95/474917695.db2.gz KJMHEUQHJNBSTD-FUHWJXTLSA-N 1 3 338.540 2.671 20 0 EFADHO CN(CCCNCc1c(F)cccc1Br)CC[NH+](C)C ZINC000623088006 480134117 /nfs/dbraw/zinc/13/41/17/480134117.db2.gz SFWHPTBXAVIHRY-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000337355341 474931737 /nfs/dbraw/zinc/93/17/37/474931737.db2.gz DRQBHIIVYAYRQJ-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000337355341 474931742 /nfs/dbraw/zinc/93/17/42/474931742.db2.gz DRQBHIIVYAYRQJ-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO COc1ccc2cc(C[NH2+]CCCN(C)CCN(C)C)ccc2c1 ZINC000623088271 480134860 /nfs/dbraw/zinc/13/48/60/480134860.db2.gz CRGBSQJSWHBOIB-UHFFFAOYSA-N 1 3 329.488 2.822 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@H]21 ZINC000322500034 474939682 /nfs/dbraw/zinc/93/96/82/474939682.db2.gz DGZOJLASWWDSNS-BFHYXJOUSA-N 1 3 332.473 2.790 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C(C)C ZINC000337364845 474941187 /nfs/dbraw/zinc/94/11/87/474941187.db2.gz KNOZMNCLQLVDGK-DLBZAZTESA-N 1 3 326.529 2.667 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323925294 474958082 /nfs/dbraw/zinc/95/80/82/474958082.db2.gz OVDIVVCQJYGASY-RBUKOAKNSA-N 1 3 329.488 2.629 20 0 EFADHO Cc1ncc(CNCC2(O)CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000268399578 474960092 /nfs/dbraw/zinc/96/00/92/474960092.db2.gz BJINKAGCEIMZGI-UHFFFAOYSA-N 1 3 342.487 2.506 20 0 EFADHO CC[C@H](C)C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341088526 474962212 /nfs/dbraw/zinc/96/22/12/474962212.db2.gz RCFUXJYNSSWOAE-HOTGVXAUSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](NC(=O)C1(N)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261555841 474982504 /nfs/dbraw/zinc/98/25/04/474982504.db2.gz QCTLJWNQBAHWLE-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC(=O)C1(N)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261555841 474982511 /nfs/dbraw/zinc/98/25/11/474982511.db2.gz QCTLJWNQBAHWLE-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293450289 474987053 /nfs/dbraw/zinc/98/70/53/474987053.db2.gz PJNVCVORYRCIRJ-VQIMIIECSA-N 1 3 338.467 2.851 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293450289 474987062 /nfs/dbraw/zinc/98/70/62/474987062.db2.gz PJNVCVORYRCIRJ-VQIMIIECSA-N 1 3 338.467 2.851 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000325566211 474990970 /nfs/dbraw/zinc/99/09/70/474990970.db2.gz HXYWKOCGINFHFH-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000341117984 474993465 /nfs/dbraw/zinc/99/34/65/474993465.db2.gz QMMXKKMOGKBSEU-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000341117984 474993468 /nfs/dbraw/zinc/99/34/68/474993468.db2.gz QMMXKKMOGKBSEU-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000341117982 474993925 /nfs/dbraw/zinc/99/39/25/474993925.db2.gz QMMXKKMOGKBSEU-FGTMMUONSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000341117982 474993932 /nfs/dbraw/zinc/99/39/32/474993932.db2.gz QMMXKKMOGKBSEU-FGTMMUONSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)c2cccc3c2CCNC3)([NH+](C)C)C1 ZINC000325837176 474994289 /nfs/dbraw/zinc/99/42/89/474994289.db2.gz VPILQWUAYNMISC-MGPUTAFESA-N 1 3 329.488 2.573 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)c2cccc3c2CCNC3)([NH+](C)C)C1 ZINC000325837177 474994309 /nfs/dbraw/zinc/99/43/09/474994309.db2.gz VPILQWUAYNMISC-QRWLVFNGSA-N 1 3 329.488 2.573 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261638135 475004970 /nfs/dbraw/zinc/00/49/70/475004970.db2.gz ICGVSHWVKGSKKR-VKJFTORMSA-N 1 3 349.906 2.981 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000285426291 475017363 /nfs/dbraw/zinc/01/73/63/475017363.db2.gz HCEKRLABPLKZJH-SJPCQFCGSA-N 1 3 345.878 2.978 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000285426291 475017371 /nfs/dbraw/zinc/01/73/71/475017371.db2.gz HCEKRLABPLKZJH-SJPCQFCGSA-N 1 3 345.878 2.978 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(OC(C)(C)C)n1 ZINC000341140452 475019905 /nfs/dbraw/zinc/01/99/05/475019905.db2.gz VLUCBWPTJPPNDV-UHFFFAOYSA-N 1 3 348.535 2.717 20 0 EFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000261701949 475031890 /nfs/dbraw/zinc/03/18/90/475031890.db2.gz OWBGSUUOBDHMCW-KZNAEPCWSA-N 1 3 330.472 2.901 20 0 EFADHO c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)OCCO2 ZINC000261701949 475031897 /nfs/dbraw/zinc/03/18/97/475031897.db2.gz OWBGSUUOBDHMCW-KZNAEPCWSA-N 1 3 330.472 2.901 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268800165 475041041 /nfs/dbraw/zinc/04/10/41/475041041.db2.gz HFHKHICKDYRDCK-AZUAARDMSA-N 1 3 333.520 2.597 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341328225 475042434 /nfs/dbraw/zinc/04/24/34/475042434.db2.gz WVMIMTRQNWKKJN-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341328225 475042441 /nfs/dbraw/zinc/04/24/41/475042441.db2.gz WVMIMTRQNWKKJN-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000337487146 475061103 /nfs/dbraw/zinc/06/11/03/475061103.db2.gz ZVSWRKPQGZGSBK-LJQANCHMSA-N 1 3 344.503 2.609 20 0 EFADHO O=C(NC[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000261803688 475069076 /nfs/dbraw/zinc/06/90/76/475069076.db2.gz HEPCHRBPHOSEPD-HOTGVXAUSA-N 1 3 348.466 2.659 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000261830725 475077228 /nfs/dbraw/zinc/07/72/28/475077228.db2.gz NCTWNZVVSFMXCR-ICSRJNTNSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000268930424 475077749 /nfs/dbraw/zinc/07/77/49/475077749.db2.gz ZJLYOGZWYWJOQL-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268949056 475088169 /nfs/dbraw/zinc/08/81/69/475088169.db2.gz BSOCOXKFOMZGEN-KGLIPLIRSA-N 1 3 333.501 2.835 20 0 EFADHO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000268974993 475104567 /nfs/dbraw/zinc/10/45/67/475104567.db2.gz BIPINCYCLBEVNK-DNVCBOLYSA-N 1 3 330.472 2.773 20 0 EFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000281196960 475111115 /nfs/dbraw/zinc/11/11/15/475111115.db2.gz JXJJSUHPHZSZES-CZUORRHYSA-N 1 3 330.394 2.683 20 0 EFADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269006233 475124247 /nfs/dbraw/zinc/12/42/47/475124247.db2.gz QOMHVOSCVVWXOB-CYBMUJFWSA-N 1 3 346.500 2.621 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)OCCO ZINC000287384088 475124704 /nfs/dbraw/zinc/12/47/04/475124704.db2.gz PRTGAZLYHNYISX-VAMGGRTRSA-N 1 3 346.515 2.664 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000261970713 475130888 /nfs/dbraw/zinc/13/08/88/475130888.db2.gz CYVWPLSFVWWCSM-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000261978213 475133632 /nfs/dbraw/zinc/13/36/32/475133632.db2.gz GVQOUQUDHSCICW-IAGOWNOFSA-N 1 3 331.504 2.616 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000261982222 475134887 /nfs/dbraw/zinc/13/48/87/475134887.db2.gz INKOWFMONALHKY-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC000261991933 475139083 /nfs/dbraw/zinc/13/90/83/475139083.db2.gz YJKADWPCPJBTNZ-INMHGKMJSA-N 1 3 347.528 2.637 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000262001033 475143567 /nfs/dbraw/zinc/14/35/67/475143567.db2.gz PSGUZBRRBDTXCC-DLBZAZTESA-N 1 3 331.504 2.882 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269060811 475154283 /nfs/dbraw/zinc/15/42/83/475154283.db2.gz KDPVTGDZUCQGSN-PXNSSMCTSA-N 1 3 344.503 2.939 20 0 EFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000269062711 475155668 /nfs/dbraw/zinc/15/56/68/475155668.db2.gz UPICNGYBFTWWBF-OAHLLOKOSA-N 1 3 328.403 2.785 20 0 EFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000269062710 475156146 /nfs/dbraw/zinc/15/61/46/475156146.db2.gz UPICNGYBFTWWBF-HNNXBMFYSA-N 1 3 328.403 2.785 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000269080736 475164325 /nfs/dbraw/zinc/16/43/25/475164325.db2.gz ZPCRBGAACVTDFB-INIZCTEOSA-N 1 3 325.456 2.856 20 0 EFADHO C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000269089257 475167852 /nfs/dbraw/zinc/16/78/52/475167852.db2.gz QDIMVACZZHBONR-RVHYNSKXSA-N 1 3 340.467 2.936 20 0 EFADHO C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000269089252 475168389 /nfs/dbraw/zinc/16/83/89/475168389.db2.gz QDIMVACZZHBONR-JHVJFLLYSA-N 1 3 340.467 2.936 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262128004 475180362 /nfs/dbraw/zinc/18/03/62/475180362.db2.gz CSCMIZJSRJWDRH-XLIONFOSSA-N 1 3 341.499 2.644 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262154092 475186540 /nfs/dbraw/zinc/18/65/40/475186540.db2.gz ZEFLCRFVBRDTHH-XLIJVUNUSA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262160023 475188426 /nfs/dbraw/zinc/18/84/26/475188426.db2.gz GVEMRNXYMCTYHD-UYAOXDASSA-N 1 3 343.515 2.890 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@H]21 ZINC000262174706 475190352 /nfs/dbraw/zinc/19/03/52/475190352.db2.gz VRQKJXOXWNCVRU-VBSBHUPXSA-N 1 3 330.472 2.804 20 0 EFADHO CCC[C@@H](C)C(=O)NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000292805875 475203836 /nfs/dbraw/zinc/20/38/36/475203836.db2.gz VYOPRUDHCYHMAF-GOSISDBHSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N(C)Cc1ccccc1 ZINC000262238638 475205497 /nfs/dbraw/zinc/20/54/97/475205497.db2.gz HNQWNJNPMLJMSB-XLIJVUNUSA-N 1 3 343.515 2.777 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341651374 475206217 /nfs/dbraw/zinc/20/62/17/475206217.db2.gz ZRWTXMNUKCOYAK-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341651374 475206221 /nfs/dbraw/zinc/20/62/21/475206221.db2.gz ZRWTXMNUKCOYAK-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N(C)C)cc1 ZINC000262254300 475208585 /nfs/dbraw/zinc/20/85/85/475208585.db2.gz IWLZWSNTVPMTAF-QRBPQYNOSA-N 1 3 343.515 2.868 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000262289980 475215255 /nfs/dbraw/zinc/21/52/55/475215255.db2.gz VXZZRCPEITUBFP-UHFFFAOYSA-N 1 3 341.455 2.641 20 0 EFADHO CC(C)(CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCCCC1 ZINC000339436732 475216021 /nfs/dbraw/zinc/21/60/21/475216021.db2.gz HYQXTUIANJOGCS-UHFFFAOYSA-N 1 3 338.540 2.863 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC2(OC)CCC2)CC1 ZINC000339447279 475222548 /nfs/dbraw/zinc/22/25/48/475222548.db2.gz MMXRNWBMRJNMKM-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000262346839 475222706 /nfs/dbraw/zinc/22/27/06/475222706.db2.gz GUJCECRGXOZUHV-QGZVKYPTSA-N 1 3 343.515 2.886 20 0 EFADHO CCOC(=O)c1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000296213323 475225288 /nfs/dbraw/zinc/22/52/88/475225288.db2.gz ZUUFIHCCSDTUOG-INIZCTEOSA-N 1 3 333.476 2.664 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000262367250 475225699 /nfs/dbraw/zinc/22/56/99/475225699.db2.gz JNEVKBOIPLGVNH-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000262363430 475225783 /nfs/dbraw/zinc/22/57/83/475225783.db2.gz KRXONOXKCCFJNN-HNNXBMFYSA-N 1 3 345.409 2.814 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262385076 475229571 /nfs/dbraw/zinc/22/95/71/475229571.db2.gz NMMZJGZUMLAWKT-MCNSAMFCSA-N 1 3 341.499 2.718 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000339462267 475229845 /nfs/dbraw/zinc/22/98/45/475229845.db2.gz PDLZUSGAAJOKGZ-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CC[NH2+]1 ZINC000262387347 475230653 /nfs/dbraw/zinc/23/06/53/475230653.db2.gz PBNVZPUQMGWOQL-WMZOPIPTSA-N 1 3 344.503 2.535 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CN1Cc1ccccc1 ZINC000262432088 475239948 /nfs/dbraw/zinc/23/99/48/475239948.db2.gz TYFUOZFVOBMLRL-WQZMEWCLSA-N 1 3 341.499 2.545 20 0 EFADHO Cc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000361174320 475243713 /nfs/dbraw/zinc/24/37/13/475243713.db2.gz WUVPXGLZMYZNLP-QZTJIDSGSA-N 1 3 331.504 2.850 20 0 EFADHO Cc1cc(C)c([C@@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000361174320 475243724 /nfs/dbraw/zinc/24/37/24/475243724.db2.gz WUVPXGLZMYZNLP-QZTJIDSGSA-N 1 3 331.504 2.850 20 0 EFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[NH2+]1 ZINC000262450422 475243690 /nfs/dbraw/zinc/24/36/90/475243690.db2.gz UOQRQDLWBJULEN-STQMWFEESA-N 1 3 339.867 2.607 20 0 EFADHO CCC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000361174384 475243970 /nfs/dbraw/zinc/24/39/70/475243970.db2.gz ABLSJYBTXFFUPZ-MJGOQNOKSA-N 1 3 347.503 2.713 20 0 EFADHO CCC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000361174384 475243978 /nfs/dbraw/zinc/24/39/78/475243978.db2.gz ABLSJYBTXFFUPZ-MJGOQNOKSA-N 1 3 347.503 2.713 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173263 475244818 /nfs/dbraw/zinc/24/48/18/475244818.db2.gz DKGVTTOMNQIYDV-TXPKVOOTSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173263 475244822 /nfs/dbraw/zinc/24/48/22/475244822.db2.gz DKGVTTOMNQIYDV-TXPKVOOTSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173263 475244834 /nfs/dbraw/zinc/24/48/34/475244834.db2.gz DKGVTTOMNQIYDV-TXPKVOOTSA-N 1 3 348.510 2.568 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000361183606 475252899 /nfs/dbraw/zinc/25/28/99/475252899.db2.gz YVZVIYXLECCJDT-IBGZPJMESA-N 1 3 342.487 2.570 20 0 EFADHO C[C@H](c1cccnc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000357917199 475260030 /nfs/dbraw/zinc/26/00/30/475260030.db2.gz KYLLPIOCHRSWMY-MRXNPFEDSA-N 1 3 346.519 2.559 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296335638 475272140 /nfs/dbraw/zinc/27/21/40/475272140.db2.gz IAVXFKXXOQGDLR-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296335639 475272986 /nfs/dbraw/zinc/27/29/86/475272986.db2.gz IAVXFKXXOQGDLR-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337747368 475291558 /nfs/dbraw/zinc/29/15/58/475291558.db2.gz XNKDIZJGGVZYSR-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000296409896 475302933 /nfs/dbraw/zinc/30/29/33/475302933.db2.gz LYGXSTLNYJRSIA-VQIMIIECSA-N 1 3 333.545 2.665 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000347485234 475318743 /nfs/dbraw/zinc/31/87/43/475318743.db2.gz KEHIWZLKGHUQFM-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCC([NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341817692 475326945 /nfs/dbraw/zinc/32/69/45/475326945.db2.gz IBUNEUGNIIMARS-HDICACEKSA-N 1 3 345.531 2.870 20 0 EFADHO CC[NH+]1CCC(NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341817692 475326947 /nfs/dbraw/zinc/32/69/47/475326947.db2.gz IBUNEUGNIIMARS-HDICACEKSA-N 1 3 345.531 2.870 20 0 EFADHO CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000296488508 475338107 /nfs/dbraw/zinc/33/81/07/475338107.db2.gz OOLORDNOGKOAGG-APWZRJJASA-N 1 3 349.519 2.781 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000352491300 475345741 /nfs/dbraw/zinc/34/57/41/475345741.db2.gz PPSQVGQZHIUULK-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000352491300 475345749 /nfs/dbraw/zinc/34/57/49/475345749.db2.gz PPSQVGQZHIUULK-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCCOCC2)CC1 ZINC000361320070 475351167 /nfs/dbraw/zinc/35/11/67/475351167.db2.gz YCZXZDDHOIHHAM-LJQANCHMSA-N 1 3 337.552 2.685 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCCOCC2)CC1 ZINC000361320070 475351173 /nfs/dbraw/zinc/35/11/73/475351173.db2.gz YCZXZDDHOIHHAM-LJQANCHMSA-N 1 3 337.552 2.685 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000361326958 475356672 /nfs/dbraw/zinc/35/66/72/475356672.db2.gz QXVIZTBKNNGYOC-HKUYNNGSSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000361326958 475356677 /nfs/dbraw/zinc/35/66/77/475356677.db2.gz QXVIZTBKNNGYOC-HKUYNNGSSA-N 1 3 343.515 2.760 20 0 EFADHO COc1cccc(NC(=O)CC[N@H+](CCCN)CC2CCCC2)c1 ZINC000352512215 475366050 /nfs/dbraw/zinc/36/60/50/475366050.db2.gz WRLKIBGHMUPSMV-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO COc1cccc(NC(=O)CC[N@@H+](CCCN)CC2CCCC2)c1 ZINC000352512215 475366056 /nfs/dbraw/zinc/36/60/56/475366056.db2.gz WRLKIBGHMUPSMV-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO COc1cccc(NC(=O)CCN(CCC[NH3+])CC2CCCC2)c1 ZINC000352512215 475366061 /nfs/dbraw/zinc/36/60/61/475366061.db2.gz WRLKIBGHMUPSMV-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1OC ZINC000358060824 475369418 /nfs/dbraw/zinc/36/94/18/475369418.db2.gz LDYFIIDOBAACSW-SQNIBIBYSA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1OC ZINC000358060824 475369424 /nfs/dbraw/zinc/36/94/24/475369424.db2.gz LDYFIIDOBAACSW-SQNIBIBYSA-N 1 3 347.503 2.523 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000296563977 475371445 /nfs/dbraw/zinc/37/14/45/475371445.db2.gz VKNHJVQLFREBOW-MRXNPFEDSA-N 1 3 344.503 2.545 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345695895 475374461 /nfs/dbraw/zinc/37/44/61/475374461.db2.gz QJNWSKKVBIQQBF-CZUORRHYSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345695895 475374468 /nfs/dbraw/zinc/37/44/68/475374468.db2.gz QJNWSKKVBIQQBF-CZUORRHYSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345696468 475374658 /nfs/dbraw/zinc/37/46/58/475374658.db2.gz QVCQMJUMRWCCCM-WFASDCNBSA-N 1 3 325.403 2.840 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345696468 475374666 /nfs/dbraw/zinc/37/46/66/475374666.db2.gz QVCQMJUMRWCCCM-WFASDCNBSA-N 1 3 325.403 2.840 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2([C@H](O)C(C)C)CC2)CC1 ZINC000345697523 475375306 /nfs/dbraw/zinc/37/53/06/475375306.db2.gz DPOKHABVBPDGQZ-HXUWFJFHSA-N 1 3 345.531 2.715 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)CC1 ZINC000345699140 475375920 /nfs/dbraw/zinc/37/59/20/475375920.db2.gz TYUZETPTBBOCLR-MRXNPFEDSA-N 1 3 339.430 2.517 20 0 EFADHO Cc1cccc2c1CC[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361352525 475378483 /nfs/dbraw/zinc/37/84/83/475378483.db2.gz QBXHXCMHVFJOBW-IBGZPJMESA-N 1 3 329.488 2.515 20 0 EFADHO CC1CC[NH+]([C@@H](CNC(=O)[C@@H](N)CC(F)F)c2ccccc2)CC1 ZINC000345704640 475380501 /nfs/dbraw/zinc/38/05/01/475380501.db2.gz FHDZLLFMLOJPRZ-HOTGVXAUSA-N 1 3 339.430 2.558 20 0 EFADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000358084103 475386773 /nfs/dbraw/zinc/38/67/73/475386773.db2.gz LYWIBIDSOYLUOF-LZWOXQAQSA-N 1 3 335.879 2.765 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348099609 475388975 /nfs/dbraw/zinc/38/89/75/475388975.db2.gz DMIANSNPEGVNQQ-GDBMZVCRSA-N 1 3 346.393 2.827 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358101717 475400856 /nfs/dbraw/zinc/40/08/56/475400856.db2.gz ZCPJAOGLIFRHAO-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358101717 475400869 /nfs/dbraw/zinc/40/08/69/475400869.db2.gz ZCPJAOGLIFRHAO-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358113997 475411175 /nfs/dbraw/zinc/41/11/75/475411175.db2.gz QDBAXPVBHZWRMO-LZLYRXPVSA-N 1 3 348.535 2.589 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358113997 475411183 /nfs/dbraw/zinc/41/11/83/475411183.db2.gz QDBAXPVBHZWRMO-LZLYRXPVSA-N 1 3 348.535 2.589 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345760691 475427604 /nfs/dbraw/zinc/42/76/04/475427604.db2.gz VMDHNGLEMOCXFI-OWSLCNJRSA-N 1 3 338.540 2.669 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345760692 475428546 /nfs/dbraw/zinc/42/85/46/475428546.db2.gz VMDHNGLEMOCXFI-XDNAFOTISA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CCC(C)CC1 ZINC000341954734 475445551 /nfs/dbraw/zinc/44/55/51/475445551.db2.gz MANMFKAEFCFOGM-IAGOWNOFSA-N 1 3 340.556 2.772 20 0 EFADHO CCC1(C)CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354838064 475450417 /nfs/dbraw/zinc/45/04/17/475450417.db2.gz BTJQCKCDGBTHRB-SFHVURJKSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(CCCC3CCOCC3)CC2)CC1 ZINC000361457968 475463573 /nfs/dbraw/zinc/46/35/73/475463573.db2.gz DGRDCQXFCMVSFD-UHFFFAOYSA-N 1 3 337.552 2.684 20 0 EFADHO CC1CC[NH+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000345813540 475475009 /nfs/dbraw/zinc/47/50/09/475475009.db2.gz JXTSGIXUMFUBII-UHFFFAOYSA-N 1 3 338.455 2.709 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000352653595 475495249 /nfs/dbraw/zinc/49/52/49/475495249.db2.gz VXXMIZXBIYEIES-WMZOPIPTSA-N 1 3 334.508 2.707 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000352653595 475495255 /nfs/dbraw/zinc/49/52/55/475495255.db2.gz VXXMIZXBIYEIES-WMZOPIPTSA-N 1 3 334.508 2.707 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000338008811 475503631 /nfs/dbraw/zinc/50/36/31/475503631.db2.gz UPZLJWYAVZHOLJ-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000352665168 475507907 /nfs/dbraw/zinc/50/79/07/475507907.db2.gz PEBLBKZBIOWFTL-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000352665168 475507918 /nfs/dbraw/zinc/50/79/18/475507918.db2.gz PEBLBKZBIOWFTL-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000358257175 475534286 /nfs/dbraw/zinc/53/42/86/475534286.db2.gz DLYNFTXKHZQDID-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCCN1C ZINC000361563235 475549485 /nfs/dbraw/zinc/54/94/85/475549485.db2.gz JTPGNMFKZAUDPL-SJORKVTESA-N 1 3 338.540 2.813 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000342080655 475553090 /nfs/dbraw/zinc/55/30/90/475553090.db2.gz GUIZONOSFOGDNZ-FVQBIDKESA-N 1 3 346.862 2.992 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000352711338 475554235 /nfs/dbraw/zinc/55/42/35/475554235.db2.gz AYQAXLCIHDECSU-FUHWJXTLSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000352711338 475554240 /nfs/dbraw/zinc/55/42/40/475554240.db2.gz AYQAXLCIHDECSU-FUHWJXTLSA-N 1 3 334.508 2.626 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000361571598 475556898 /nfs/dbraw/zinc/55/68/98/475556898.db2.gz MWLVPOPYIGNZCZ-FQEVSTJZSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000361571598 475556908 /nfs/dbraw/zinc/55/69/08/475556908.db2.gz MWLVPOPYIGNZCZ-FQEVSTJZSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000339851690 475560960 /nfs/dbraw/zinc/56/09/60/475560960.db2.gz UBGCNEXKVQQQKV-LNLFQRSKSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000339851690 475560964 /nfs/dbraw/zinc/56/09/64/475560964.db2.gz UBGCNEXKVQQQKV-LNLFQRSKSA-N 1 3 346.519 2.851 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@H]21 ZINC000342147731 475564232 /nfs/dbraw/zinc/56/42/32/475564232.db2.gz UXOASECERANCNN-VJUNAUMWSA-N 1 3 333.863 2.505 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000354976096 475571191 /nfs/dbraw/zinc/57/11/91/475571191.db2.gz FGYLQESYOZURKU-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000354976096 475571197 /nfs/dbraw/zinc/57/11/97/475571197.db2.gz FGYLQESYOZURKU-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000354976096 475571204 /nfs/dbraw/zinc/57/12/04/475571204.db2.gz FGYLQESYOZURKU-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000352730831 475572372 /nfs/dbraw/zinc/57/23/72/475572372.db2.gz GNABLUMZITVNBW-NRFANRHFSA-N 1 3 339.483 2.891 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000352730831 475572380 /nfs/dbraw/zinc/57/23/80/475572380.db2.gz GNABLUMZITVNBW-NRFANRHFSA-N 1 3 339.483 2.891 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000297030572 475582361 /nfs/dbraw/zinc/58/23/61/475582361.db2.gz MAJWKGHUTOVTTO-XVLXNVKGSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000297030572 475582364 /nfs/dbraw/zinc/58/23/64/475582364.db2.gz MAJWKGHUTOVTTO-XVLXNVKGSA-N 1 3 344.503 2.522 20 0 EFADHO CN(C)Cc1cnc(CNCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000352742032 475582784 /nfs/dbraw/zinc/58/27/84/475582784.db2.gz LCVQMSPZLZXUPH-UHFFFAOYSA-N 1 3 345.516 2.606 20 0 EFADHO CCN1CCN(CCCC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352773478 475608880 /nfs/dbraw/zinc/60/88/80/475608880.db2.gz TYPODBMPZRBSNO-WAYWQWQTSA-N 1 3 337.458 2.985 20 0 EFADHO Cc1cccc(C)c1[C@@H](C)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355035811 475613068 /nfs/dbraw/zinc/61/30/68/475613068.db2.gz IJZFDVPKSNFLTG-MRXNPFEDSA-N 1 3 329.488 2.697 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC3(C)COC3)CC2)c1 ZINC000352778092 475613237 /nfs/dbraw/zinc/61/32/37/475613237.db2.gz FJQRYVMNWFBJRY-UHFFFAOYSA-N 1 3 331.504 2.523 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000358356822 475615832 /nfs/dbraw/zinc/61/58/32/475615832.db2.gz UZMOESPVQQKJSB-OXQOHEQNSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000358356822 475615838 /nfs/dbraw/zinc/61/58/38/475615838.db2.gz UZMOESPVQQKJSB-OXQOHEQNSA-N 1 3 332.488 2.812 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000355042476 475620694 /nfs/dbraw/zinc/62/06/94/475620694.db2.gz SRCPFOGXXYBAST-UHFFFAOYSA-N 1 3 346.471 2.689 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000355042476 475620700 /nfs/dbraw/zinc/62/07/00/475620700.db2.gz SRCPFOGXXYBAST-UHFFFAOYSA-N 1 3 346.471 2.689 20 0 EFADHO CCOC(=O)COc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000355042476 475620705 /nfs/dbraw/zinc/62/07/05/475620705.db2.gz SRCPFOGXXYBAST-UHFFFAOYSA-N 1 3 346.471 2.689 20 0 EFADHO Cc1cnc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)nc1 ZINC000358367130 475622913 /nfs/dbraw/zinc/62/29/13/475622913.db2.gz KDIRLIOUFSIVBF-MRXNPFEDSA-N 1 3 328.460 2.619 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000348370305 475623616 /nfs/dbraw/zinc/62/36/16/475623616.db2.gz FUPLYAZOIQVEKW-MOPGFXCFSA-N 1 3 346.519 2.771 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000348370305 475623624 /nfs/dbraw/zinc/62/36/24/475623624.db2.gz FUPLYAZOIQVEKW-MOPGFXCFSA-N 1 3 346.519 2.771 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCN1C ZINC000339936642 475624044 /nfs/dbraw/zinc/62/40/44/475624044.db2.gz DYPBNLJUGDOKTJ-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000358368723 475624695 /nfs/dbraw/zinc/62/46/95/475624695.db2.gz PBNGLRUJMFLVRT-SWLSCSKDSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CCN1C1CC[NH+](C)CC1 ZINC000342675308 475626312 /nfs/dbraw/zinc/62/63/12/475626312.db2.gz PXCDXBOCDGLTKN-AZUAARDMSA-N 1 3 349.563 2.969 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000339945001 475629977 /nfs/dbraw/zinc/62/99/77/475629977.db2.gz MAMFMZYTSXNBMW-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000348384830 475632908 /nfs/dbraw/zinc/63/29/08/475632908.db2.gz VRDLMFKCACTDMX-PKOBYXMFSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000355061297 475636276 /nfs/dbraw/zinc/63/62/76/475636276.db2.gz QDTUQDUZRFQCJB-ZHALLVOQSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000355061297 475636280 /nfs/dbraw/zinc/63/62/80/475636280.db2.gz QDTUQDUZRFQCJB-ZHALLVOQSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338170087 475647167 /nfs/dbraw/zinc/64/71/67/475647167.db2.gz KZDKXXQHIVZXNJ-KSSFIOAISA-N 1 3 337.458 2.815 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000355089775 475659469 /nfs/dbraw/zinc/65/94/69/475659469.db2.gz WYKTZLGHLJJVRP-QGZVFWFLSA-N 1 3 336.524 2.544 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358418746 475663470 /nfs/dbraw/zinc/66/34/70/475663470.db2.gz HLHJKAKOVWNQOT-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358418746 475663477 /nfs/dbraw/zinc/66/34/77/475663477.db2.gz HLHJKAKOVWNQOT-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358418747 475664366 /nfs/dbraw/zinc/66/43/66/475664366.db2.gz HLHJKAKOVWNQOT-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358418747 475664371 /nfs/dbraw/zinc/66/43/71/475664371.db2.gz HLHJKAKOVWNQOT-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H]1C ZINC000358428272 475671121 /nfs/dbraw/zinc/67/11/21/475671121.db2.gz DBMXUBHQMJUTKV-LCLWPZTBSA-N 1 3 345.531 2.690 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000353049462 475683519 /nfs/dbraw/zinc/68/35/19/475683519.db2.gz RPXXNKFYSIKTQH-UXHICEINSA-N 1 3 341.499 2.642 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361714026 475690246 /nfs/dbraw/zinc/69/02/46/475690246.db2.gz MEONWFYOBKHNNF-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361714026 475690250 /nfs/dbraw/zinc/69/02/50/475690250.db2.gz MEONWFYOBKHNNF-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(C)c1 ZINC000346600197 475691249 /nfs/dbraw/zinc/69/12/49/475691249.db2.gz CMJBODIMSHKWSY-IBGZPJMESA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(C)c1 ZINC000346600197 475691257 /nfs/dbraw/zinc/69/12/57/475691257.db2.gz CMJBODIMSHKWSY-IBGZPJMESA-N 1 3 331.504 2.792 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000361717511 475692894 /nfs/dbraw/zinc/69/28/94/475692894.db2.gz FIRUJYYNQKHKSW-ZBFHGGJFSA-N 1 3 335.517 2.909 20 0 EFADHO NC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000361729371 475702262 /nfs/dbraw/zinc/70/22/62/475702262.db2.gz RTODULODLQYNET-GOSISDBHSA-N 1 3 329.488 2.676 20 0 EFADHO NC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000361729371 475702269 /nfs/dbraw/zinc/70/22/69/475702269.db2.gz RTODULODLQYNET-GOSISDBHSA-N 1 3 329.488 2.676 20 0 EFADHO C[C@H]1CN(c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000297313304 475703133 /nfs/dbraw/zinc/70/31/33/475703133.db2.gz CAINFXMHCIEAIT-UXDRXVOSSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000297339125 475714718 /nfs/dbraw/zinc/71/47/18/475714718.db2.gz DZLOIENHXIMGOA-OAHLLOKOSA-N 1 3 342.487 2.884 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000338261449 475724195 /nfs/dbraw/zinc/72/41/95/475724195.db2.gz JYHFDQMCGGBQLI-QYZOEREBSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000338261449 475724201 /nfs/dbraw/zinc/72/42/01/475724201.db2.gz JYHFDQMCGGBQLI-QYZOEREBSA-N 1 3 344.503 2.524 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C ZINC000361761912 475730074 /nfs/dbraw/zinc/73/00/74/475730074.db2.gz AMFFUTXOBTYYQA-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C ZINC000361761912 475730082 /nfs/dbraw/zinc/73/00/82/475730082.db2.gz AMFFUTXOBTYYQA-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)O)c1)CC(C)(C)O ZINC000297376405 475730395 /nfs/dbraw/zinc/73/03/95/475730395.db2.gz DCHBYIHXVLINNP-UHFFFAOYSA-N 1 3 342.911 2.745 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)O)c1)CC(C)(C)O ZINC000297376405 475730403 /nfs/dbraw/zinc/73/04/03/475730403.db2.gz DCHBYIHXVLINNP-UHFFFAOYSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507780 475734180 /nfs/dbraw/zinc/73/41/80/475734180.db2.gz LHJXEBFRIQODDS-HNNXBMFYSA-N 1 3 338.455 2.637 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358512972 475737632 /nfs/dbraw/zinc/73/76/32/475737632.db2.gz UVDOVZALZIOYAI-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000338279496 475740121 /nfs/dbraw/zinc/74/01/21/475740121.db2.gz ILSYAQJSJPMJJP-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000338279496 475740126 /nfs/dbraw/zinc/74/01/26/475740126.db2.gz ILSYAQJSJPMJJP-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000338279497 475741041 /nfs/dbraw/zinc/74/10/41/475741041.db2.gz ILSYAQJSJPMJJP-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCC[C@H](C)C1 ZINC000338279497 475741046 /nfs/dbraw/zinc/74/10/46/475741046.db2.gz ILSYAQJSJPMJJP-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000338287436 475748684 /nfs/dbraw/zinc/74/86/84/475748684.db2.gz LMESTGYWMVFELR-UHFFFAOYSA-N 1 3 343.515 2.905 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338289404 475750196 /nfs/dbraw/zinc/75/01/96/475750196.db2.gz XTZOYKUIWBBLDR-IYBDPMFKSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338289404 475750204 /nfs/dbraw/zinc/75/02/04/475750204.db2.gz XTZOYKUIWBBLDR-IYBDPMFKSA-N 1 3 338.540 2.526 20 0 EFADHO CCn1nc(CNCC2(SC)CC[NH+](C)CC2)c2ccccc21 ZINC000353181355 475750649 /nfs/dbraw/zinc/75/06/49/475750649.db2.gz DZEVADWQOPDMTJ-UHFFFAOYSA-N 1 3 332.517 2.973 20 0 EFADHO CSC1(CNCc2cnc([C@@H]3CCCO3)s2)CC[NH+](C)CC1 ZINC000353198175 475762438 /nfs/dbraw/zinc/76/24/38/475762438.db2.gz YQJMJVPHPNDTDI-AWEZNQCLSA-N 1 3 341.546 2.912 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000340122974 475775557 /nfs/dbraw/zinc/77/55/57/475775557.db2.gz LQCOTYSKFVEHDW-IHPCNDPISA-N 1 3 343.515 2.561 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343133117 475794670 /nfs/dbraw/zinc/79/46/70/475794670.db2.gz NHSQJWKVLRALGF-PZJWPPBQSA-N 1 3 345.531 2.914 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000338345226 475808594 /nfs/dbraw/zinc/80/85/94/475808594.db2.gz BIRIYLYBTMXAHX-IRXDYDNUSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000338345226 475808600 /nfs/dbraw/zinc/80/86/00/475808600.db2.gz BIRIYLYBTMXAHX-IRXDYDNUSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H](CCNC(=O)N(C)CCN(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000353271564 475822218 /nfs/dbraw/zinc/82/22/18/475822218.db2.gz MTUPJEMZSSNTBD-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)CCN(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000353271564 475822225 /nfs/dbraw/zinc/82/22/25/475822225.db2.gz MTUPJEMZSSNTBD-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO FC(F)(F)c1cccnc1OCCNC1CC[NH+](C2CC2)CC1 ZINC000297601191 475824229 /nfs/dbraw/zinc/82/42/29/475824229.db2.gz JZBFFAHAAPYKIR-UHFFFAOYSA-N 1 3 329.366 2.696 20 0 EFADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340186489 475837387 /nfs/dbraw/zinc/83/73/87/475837387.db2.gz VFDMCPDZMUMBII-VYMRPNJYSA-N 1 3 344.565 2.547 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000348744276 475843569 /nfs/dbraw/zinc/84/35/69/475843569.db2.gz BGMOOLDKFUBCBQ-HXUWFJFHSA-N 1 3 348.487 2.574 20 0 EFADHO Cc1nccn1CCCN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000348755034 475850631 /nfs/dbraw/zinc/85/06/31/475850631.db2.gz FBPFSAGMKACOTI-LJQANCHMSA-N 1 3 327.476 2.621 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCN(C)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000358686401 475859294 /nfs/dbraw/zinc/85/92/94/475859294.db2.gz HSHRTJZHBDSATK-RTBURBONSA-N 1 3 345.531 2.944 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000333201668 475868914 /nfs/dbraw/zinc/86/89/14/475868914.db2.gz XZANONSFQJGNII-HKUYNNGSSA-N 1 3 346.471 2.566 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000333207451 475870464 /nfs/dbraw/zinc/87/04/64/475870464.db2.gz ZCOXWLPAIHJAOV-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)NCc1ccccc1OCC[NH+](C)C ZINC000297737769 475871504 /nfs/dbraw/zinc/87/15/04/475871504.db2.gz NWLZHLNKLGWVQQ-GOSISDBHSA-N 1 3 330.476 2.638 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000358721239 475883464 /nfs/dbraw/zinc/88/34/64/475883464.db2.gz QTAMZJKRNFVFOR-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000349052697 475899388 /nfs/dbraw/zinc/89/93/88/475899388.db2.gz ATFKXRHNQYGTGM-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCSC1 ZINC000361965776 475901309 /nfs/dbraw/zinc/90/13/09/475901309.db2.gz DRXIZSAVNANIJV-SFHVURJKSA-N 1 3 325.566 2.810 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333343180 475909184 /nfs/dbraw/zinc/90/91/84/475909184.db2.gz YOIALCDMRXZFAX-MVBZYYNJSA-N 1 3 327.472 2.926 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCO1 ZINC000297956578 475935738 /nfs/dbraw/zinc/93/57/38/475935738.db2.gz WDIZCPULSPIPAN-HBFSDRIKSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)CCO1 ZINC000297956578 475935746 /nfs/dbraw/zinc/93/57/46/475935746.db2.gz WDIZCPULSPIPAN-HBFSDRIKSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCO1 ZINC000297956581 475936826 /nfs/dbraw/zinc/93/68/26/475936826.db2.gz WDIZCPULSPIPAN-QWFCFKBJSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)CCO1 ZINC000297956581 475936830 /nfs/dbraw/zinc/93/68/30/475936830.db2.gz WDIZCPULSPIPAN-QWFCFKBJSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCO1 ZINC000297956573 475937047 /nfs/dbraw/zinc/93/70/47/475937047.db2.gz WDIZCPULSPIPAN-GGPKGHCWSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)CCO1 ZINC000297956573 475937054 /nfs/dbraw/zinc/93/70/54/475937054.db2.gz WDIZCPULSPIPAN-GGPKGHCWSA-N 1 3 343.515 2.828 20 0 EFADHO CCN(CCNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)C1CC1 ZINC000338474863 475940559 /nfs/dbraw/zinc/94/05/59/475940559.db2.gz LSBOAUOLEDIJKD-GOSISDBHSA-N 1 3 338.540 2.526 20 0 EFADHO C[NH+](C)C1CCC(NCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000353405033 475942309 /nfs/dbraw/zinc/94/23/09/475942309.db2.gz OCNIDYPUEWQIOG-UHFFFAOYSA-N 1 3 342.386 2.979 20 0 EFADHO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000358799062 475947373 /nfs/dbraw/zinc/94/73/73/475947373.db2.gz OVVLLUSZELAJAP-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000338487798 475950389 /nfs/dbraw/zinc/95/03/89/475950389.db2.gz XOFIEPCJSSTILN-SJLPKXTDSA-N 1 3 334.508 2.627 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362034285 475952135 /nfs/dbraw/zinc/95/21/35/475952135.db2.gz XQADYXCHOFJXEZ-YTQUADARSA-N 1 3 337.552 2.728 20 0 EFADHO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362035177 475953424 /nfs/dbraw/zinc/95/34/24/475953424.db2.gz ZPBGPQQFKOXRSV-NZSAHSFTSA-N 1 3 337.552 2.584 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000338498469 475957001 /nfs/dbraw/zinc/95/70/01/475957001.db2.gz FEKBFMVTOUKGKL-HDICACEKSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000338498469 475957010 /nfs/dbraw/zinc/95/70/10/475957010.db2.gz FEKBFMVTOUKGKL-HDICACEKSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000338498471 475957113 /nfs/dbraw/zinc/95/71/13/475957113.db2.gz FEKBFMVTOUKGKL-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000298043893 475963568 /nfs/dbraw/zinc/96/35/68/475963568.db2.gz HPTYEKZKZNGEMM-BLMTVLTRSA-N 1 3 343.515 2.969 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000298043893 475963573 /nfs/dbraw/zinc/96/35/73/475963573.db2.gz HPTYEKZKZNGEMM-BLMTVLTRSA-N 1 3 343.515 2.969 20 0 EFADHO CCc1ccc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298058706 475968434 /nfs/dbraw/zinc/96/84/34/475968434.db2.gz JUQPJUZNKFLYQG-HXUWFJFHSA-N 1 3 325.456 2.936 20 0 EFADHO C[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353444927 475973913 /nfs/dbraw/zinc/97/39/13/475973913.db2.gz HGFLYWZPLCCLNJ-HSALFYBXSA-N 1 3 338.499 2.936 20 0 EFADHO C[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353444927 475973922 /nfs/dbraw/zinc/97/39/22/475973922.db2.gz HGFLYWZPLCCLNJ-HSALFYBXSA-N 1 3 338.499 2.936 20 0 EFADHO NC[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000358853778 475988535 /nfs/dbraw/zinc/98/85/35/475988535.db2.gz FOCMAEFRVNVSIT-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO C[C@](O)(CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298124368 475990616 /nfs/dbraw/zinc/99/06/16/475990616.db2.gz PNDBCNACAMXDAX-FQEVSTJZSA-N 1 3 325.456 2.938 20 0 EFADHO [NH3+]Cc1cn([C@H]2CCCN([C@@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000333649292 475990761 /nfs/dbraw/zinc/99/07/61/475990761.db2.gz JODIMWWXGSZXQS-SUMWQHHRSA-N 1 3 331.851 2.715 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358855768 475991287 /nfs/dbraw/zinc/99/12/87/475991287.db2.gz MNVPIKJYXOABEB-QAPCUYQASA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358855768 475991295 /nfs/dbraw/zinc/99/12/95/475991295.db2.gz MNVPIKJYXOABEB-QAPCUYQASA-N 1 3 349.494 2.885 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000349745767 475994555 /nfs/dbraw/zinc/99/45/55/475994555.db2.gz PGCRYTURQPFCRH-ROUUACIJSA-N 1 3 340.556 2.870 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000353472532 475997749 /nfs/dbraw/zinc/99/77/49/475997749.db2.gz PWSYNPSGGIXQLV-AZUAARDMSA-N 1 3 331.504 2.703 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702824 476006553 /nfs/dbraw/zinc/00/65/53/476006553.db2.gz RBFGLJSZKCQJLL-WMZOPIPTSA-N 1 3 329.423 2.590 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702824 476006557 /nfs/dbraw/zinc/00/65/57/476006557.db2.gz RBFGLJSZKCQJLL-WMZOPIPTSA-N 1 3 329.423 2.590 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000298194478 476013964 /nfs/dbraw/zinc/01/39/64/476013964.db2.gz CBXAROTWYMDWID-JKSUJKDBSA-N 1 3 341.293 2.947 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000347001281 476021947 /nfs/dbraw/zinc/02/19/47/476021947.db2.gz HFKOGGPPXLDXNU-IBGZPJMESA-N 1 3 328.435 2.975 20 0 EFADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3CCN(C)C3)n2)cc1 ZINC000349940115 476021900 /nfs/dbraw/zinc/02/19/00/476021900.db2.gz JFZQMYFHPMBCBE-INIZCTEOSA-N 1 3 344.459 2.876 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)C(N)C(F)(F)F)CCCC1)c1ccccc1 ZINC000353499375 476024241 /nfs/dbraw/zinc/02/42/41/476024241.db2.gz AHWBYABDMWCRGQ-OCCSQVGLSA-N 1 3 343.393 2.656 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)CO2 ZINC000333793248 476029158 /nfs/dbraw/zinc/02/91/58/476029158.db2.gz GMSVHLUBFMUIMX-XJEJZOBISA-N 1 3 342.483 2.742 20 0 EFADHO C[NH+](C)CCNC(=O)c1cccc(CNc2ccnc3ccccc32)c1 ZINC000347013779 476034073 /nfs/dbraw/zinc/03/40/73/476034073.db2.gz TYZJSOQJUVSPHH-UHFFFAOYSA-N 1 3 348.450 2.560 20 0 EFADHO CCCN(Cc1ccc(OCc2noc(C)n2)cc1)C1CC[NH2+]CC1 ZINC000347031741 476049364 /nfs/dbraw/zinc/04/93/64/476049364.db2.gz ANELNADEIXISQH-UHFFFAOYSA-N 1 3 344.459 2.921 20 0 EFADHO CCC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)C1CCNCC1 ZINC000347031741 476049369 /nfs/dbraw/zinc/04/93/69/476049369.db2.gz ANELNADEIXISQH-UHFFFAOYSA-N 1 3 344.459 2.921 20 0 EFADHO CCC[N@@H+](Cc1ccc(OCc2noc(C)n2)cc1)C1CCNCC1 ZINC000347031741 476049386 /nfs/dbraw/zinc/04/93/86/476049386.db2.gz ANELNADEIXISQH-UHFFFAOYSA-N 1 3 344.459 2.921 20 0 EFADHO COCCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347037882 476052878 /nfs/dbraw/zinc/05/28/78/476052878.db2.gz GAISQKSSBGBKJA-SFHVURJKSA-N 1 3 348.487 2.684 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000340468545 476053837 /nfs/dbraw/zinc/05/38/37/476053837.db2.gz FNZATGKTVIHAKO-MHORFTMASA-N 1 3 344.565 2.690 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)cc2)CC1 ZINC000340472688 476056422 /nfs/dbraw/zinc/05/64/22/476056422.db2.gz KJCPCYKYZRSHNU-GHTZIAJQSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCN1C ZINC000343441149 476067008 /nfs/dbraw/zinc/06/70/08/476067008.db2.gz BVLKCCQFCNCSQG-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCN1C ZINC000343441151 476067640 /nfs/dbraw/zinc/06/76/40/476067640.db2.gz BVLKCCQFCNCSQG-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000350175666 476079603 /nfs/dbraw/zinc/07/96/03/476079603.db2.gz IHRJSFYAKATCAO-UHFFFAOYSA-N 1 3 348.487 2.629 20 0 EFADHO Cc1nnc(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000353564767 476083671 /nfs/dbraw/zinc/08/36/71/476083671.db2.gz IJZUYAQQDLDCHA-PBHICJAKSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000353564767 476083680 /nfs/dbraw/zinc/08/36/80/476083680.db2.gz IJZUYAQQDLDCHA-PBHICJAKSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000353564767 476083689 /nfs/dbraw/zinc/08/36/89/476083689.db2.gz IJZUYAQQDLDCHA-PBHICJAKSA-N 1 3 330.501 2.889 20 0 EFADHO C[C@H]([NH3+])C1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000347093387 476090744 /nfs/dbraw/zinc/09/07/44/476090744.db2.gz GXNHQBKNHQKRNT-HNNXBMFYSA-N 1 3 328.460 2.558 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343655229 476097793 /nfs/dbraw/zinc/09/77/93/476097793.db2.gz OGMRHKULPBEPMJ-KZNAEPCWSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115429 476103812 /nfs/dbraw/zinc/10/38/12/476103812.db2.gz ABDQILCLIOZCDE-UZLBHIALSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115429 476103815 /nfs/dbraw/zinc/10/38/15/476103815.db2.gz ABDQILCLIOZCDE-UZLBHIALSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115425 476104622 /nfs/dbraw/zinc/10/46/22/476104622.db2.gz ABDQILCLIOZCDE-OXJNMPFZSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115425 476104628 /nfs/dbraw/zinc/10/46/28/476104628.db2.gz ABDQILCLIOZCDE-OXJNMPFZSA-N 1 3 331.504 2.643 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841297 476122243 /nfs/dbraw/zinc/12/22/43/476122243.db2.gz RJZAURUZWKFTPF-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841297 476122248 /nfs/dbraw/zinc/12/22/48/476122248.db2.gz RJZAURUZWKFTPF-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(I)c1)CN(C)C ZINC000336649935 476122442 /nfs/dbraw/zinc/12/24/42/476122442.db2.gz DIOSREFPUGXQLF-LLVKDONJSA-N 1 3 332.229 2.579 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)[NH+](CC)CC ZINC000343844316 476124515 /nfs/dbraw/zinc/12/45/15/476124515.db2.gz WLYSYXCCVAEMTG-YTQUADARSA-N 1 3 331.504 2.886 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793622 476132160 /nfs/dbraw/zinc/13/21/60/476132160.db2.gz XPLREGPDJYAEDV-HSALFYBXSA-N 1 3 346.515 2.616 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336793622 476132166 /nfs/dbraw/zinc/13/21/66/476132166.db2.gz XPLREGPDJYAEDV-HSALFYBXSA-N 1 3 346.515 2.616 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336796898 476133289 /nfs/dbraw/zinc/13/32/89/476133289.db2.gz WYHAMHSFCJERQA-FFGOWVMKSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336796898 476133294 /nfs/dbraw/zinc/13/32/94/476133294.db2.gz WYHAMHSFCJERQA-FFGOWVMKSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793624 476133682 /nfs/dbraw/zinc/13/36/82/476133682.db2.gz XPLREGPDJYAEDV-VAMGGRTRSA-N 1 3 346.515 2.616 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793624 476133687 /nfs/dbraw/zinc/13/36/87/476133687.db2.gz XPLREGPDJYAEDV-VAMGGRTRSA-N 1 3 346.515 2.616 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000359040445 476138189 /nfs/dbraw/zinc/13/81/89/476138189.db2.gz VPJNHCZDMYKKBG-KKOFPSKJSA-N 1 3 333.442 2.722 20 0 EFADHO COc1ccc(Cl)c(CN(C)CCCN(C)CC[NH+](C)C)c1 ZINC000344031144 476148204 /nfs/dbraw/zinc/14/82/04/476148204.db2.gz CMIIMTIDSNQCSO-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353664400 476168590 /nfs/dbraw/zinc/16/85/90/476168590.db2.gz OKHIVZRLTSSWOJ-LPHOPBHVSA-N 1 3 347.503 2.520 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000359082855 476172860 /nfs/dbraw/zinc/17/28/60/476172860.db2.gz XLKGPRDDYKRHEO-UHFFFAOYSA-N 1 3 328.504 2.902 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000357036710 476178024 /nfs/dbraw/zinc/17/80/24/476178024.db2.gz JXVIMGSUTRHDAV-FGTMMUONSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000357036710 476178034 /nfs/dbraw/zinc/17/80/34/476178034.db2.gz JXVIMGSUTRHDAV-FGTMMUONSA-N 1 3 331.504 2.886 20 0 EFADHO COc1cc2c(c(CN3CCC([C@@H]4CCC[NH2+]4)CC3)c1)O[C@@H](C)C2 ZINC000347224657 476183656 /nfs/dbraw/zinc/18/36/56/476183656.db2.gz VCXRNRINOMSYBP-LIRRHRJNSA-N 1 3 330.472 2.983 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357052674 476190966 /nfs/dbraw/zinc/19/09/66/476190966.db2.gz RIHZCONIJNGLMT-SJLPKXTDSA-N 1 3 331.504 2.934 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359103263 476191262 /nfs/dbraw/zinc/19/12/62/476191262.db2.gz GXQCFMNZWFOKMD-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359103263 476191272 /nfs/dbraw/zinc/19/12/72/476191272.db2.gz GXQCFMNZWFOKMD-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000357057795 476194721 /nfs/dbraw/zinc/19/47/21/476194721.db2.gz UXUOSHKWBQLPCK-MRXNPFEDSA-N 1 3 334.460 2.534 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338798376 476195598 /nfs/dbraw/zinc/19/55/98/476195598.db2.gz XEDVCKXXVGAXOY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338798376 476195604 /nfs/dbraw/zinc/19/56/04/476195604.db2.gz XEDVCKXXVGAXOY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000340694775 476211971 /nfs/dbraw/zinc/21/19/71/476211971.db2.gz IAWKTVMVWVKNOX-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)CN1CCCCC1)CC(C)C ZINC000302953368 476214294 /nfs/dbraw/zinc/21/42/94/476214294.db2.gz OLMMUGLPTFPTFV-ZWKOTPCHSA-N 1 3 340.556 2.917 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000357080120 476214206 /nfs/dbraw/zinc/21/42/06/476214206.db2.gz STQFOYKYFVFPPL-APWZRJJASA-N 1 3 346.519 2.536 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357081569 476214219 /nfs/dbraw/zinc/21/42/19/476214219.db2.gz NNIPHNRNRWGABR-LNLFQRSKSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357080748 476214664 /nfs/dbraw/zinc/21/46/64/476214664.db2.gz MQQCZLXZWWLWJQ-VQIMIIECSA-N 1 3 329.488 2.528 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359272620 476217294 /nfs/dbraw/zinc/21/72/94/476217294.db2.gz APISKBAJGAGTKK-KRWDZBQOSA-N 1 3 335.448 2.788 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359272620 476217301 /nfs/dbraw/zinc/21/73/01/476217301.db2.gz APISKBAJGAGTKK-KRWDZBQOSA-N 1 3 335.448 2.788 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000338827555 476217707 /nfs/dbraw/zinc/21/77/07/476217707.db2.gz GJFXBDNXFBWPIA-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000338827555 476217716 /nfs/dbraw/zinc/21/77/16/476217716.db2.gz GJFXBDNXFBWPIA-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359272626 476217745 /nfs/dbraw/zinc/21/77/45/476217745.db2.gz APISKBAJGAGTKK-QGZVFWFLSA-N 1 3 335.448 2.788 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)C ZINC000359272626 476217749 /nfs/dbraw/zinc/21/77/49/476217749.db2.gz APISKBAJGAGTKK-QGZVFWFLSA-N 1 3 335.448 2.788 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303060616 476218960 /nfs/dbraw/zinc/21/89/60/476218960.db2.gz LTTLBROMRKPFJW-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303060616 476218967 /nfs/dbraw/zinc/21/89/67/476218967.db2.gz LTTLBROMRKPFJW-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000353725659 476219586 /nfs/dbraw/zinc/21/95/86/476219586.db2.gz QNISBCUQBKPLEN-YQVWRLOYSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000353725659 476219589 /nfs/dbraw/zinc/21/95/89/476219589.db2.gz QNISBCUQBKPLEN-YQVWRLOYSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000353725657 476220026 /nfs/dbraw/zinc/22/00/26/476220026.db2.gz QNISBCUQBKPLEN-LMMKCTJWSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000353725657 476220030 /nfs/dbraw/zinc/22/00/30/476220030.db2.gz QNISBCUQBKPLEN-LMMKCTJWSA-N 1 3 346.519 2.770 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000303190245 476220857 /nfs/dbraw/zinc/22/08/57/476220857.db2.gz FJLOWPVDWLIAEO-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000303190245 476220865 /nfs/dbraw/zinc/22/08/65/476220865.db2.gz FJLOWPVDWLIAEO-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)N(C)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362399377 476222383 /nfs/dbraw/zinc/22/23/83/476222383.db2.gz CPOPRFIYHZMQSF-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO COCc1cccc(OCC2(CN3CC[C@H]4C[NH2+]C[C@H]4C3)CCC2)c1 ZINC000357093593 476226333 /nfs/dbraw/zinc/22/63/33/476226333.db2.gz WVXSSXRMVWVULV-OALUTQOASA-N 1 3 344.499 2.923 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303488054 476237709 /nfs/dbraw/zinc/23/77/09/476237709.db2.gz RPDXIZOTSFWBFF-YQVWRLOYSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303488049 476238281 /nfs/dbraw/zinc/23/82/81/476238281.db2.gz RPDXIZOTSFWBFF-LMMKCTJWSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1c(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cnn1C ZINC000350557899 476243430 /nfs/dbraw/zinc/24/34/30/476243430.db2.gz OSFZOHFVNUUBJX-ICSRJNTNSA-N 1 3 326.488 2.901 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000344316398 476245038 /nfs/dbraw/zinc/24/50/38/476245038.db2.gz ZQXNVAORBHGMAG-QZTJIDSGSA-N 1 3 349.519 2.951 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353852004 476300814 /nfs/dbraw/zinc/30/08/14/476300814.db2.gz RSLWGYGSVRLDAQ-OTWHNJEPSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC[NH+]1CCCC1)N(C)C ZINC000357281935 476315314 /nfs/dbraw/zinc/31/53/14/476315314.db2.gz LFRQXXIQCYBWJF-PKOBYXMFSA-N 1 3 346.519 2.723 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000351115716 476341085 /nfs/dbraw/zinc/34/10/85/476341085.db2.gz MJVQJTXVXANPDG-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH2+]CCCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000357372797 476349009 /nfs/dbraw/zinc/34/90/09/476349009.db2.gz JRAWOTOXKGFNLC-UHFFFAOYSA-N 1 3 345.409 2.595 20 0 EFADHO c1ccc(CN2CC[C@H]3C[N@@H+](CCN4CCCCC4)C[C@H]3C2)cc1 ZINC000377337449 476356746 /nfs/dbraw/zinc/35/67/46/476356746.db2.gz MZYRTZQHTWYDAQ-LEWJYISDSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(CN2CC[C@H]3C[N@H+](CCN4CCCCC4)C[C@H]3C2)cc1 ZINC000377337449 476356753 /nfs/dbraw/zinc/35/67/53/476356753.db2.gz MZYRTZQHTWYDAQ-LEWJYISDSA-N 1 3 327.516 2.926 20 0 EFADHO C[NH+](C)CCOc1ccc(-c2noc(C34CCCN3CCC4)n2)cc1 ZINC000351196868 476356862 /nfs/dbraw/zinc/35/68/62/476356862.db2.gz FUGHJHQWJGLCAM-UHFFFAOYSA-N 1 3 342.443 2.762 20 0 EFADHO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)CNC2 ZINC000357395867 476357432 /nfs/dbraw/zinc/35/74/32/476357432.db2.gz YVLPIDDPXKBKBI-UHFFFAOYSA-N 1 3 341.430 2.633 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000354006290 476358277 /nfs/dbraw/zinc/35/82/77/476358277.db2.gz LLRAEQQNCGXUMR-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000354006290 476358281 /nfs/dbraw/zinc/35/82/81/476358281.db2.gz LLRAEQQNCGXUMR-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368925188 476380292 /nfs/dbraw/zinc/38/02/92/476380292.db2.gz GBDRMQLJYHVRFV-FQEVSTJZSA-N 1 3 341.499 2.595 20 0 EFADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000368925188 476380296 /nfs/dbraw/zinc/38/02/96/476380296.db2.gz GBDRMQLJYHVRFV-FQEVSTJZSA-N 1 3 341.499 2.595 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354035188 476381035 /nfs/dbraw/zinc/38/10/35/476381035.db2.gz KGPMWBMAYCQTKH-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO NC1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)Cc2ccccc2C1 ZINC000377466206 476406992 /nfs/dbraw/zinc/40/69/92/476406992.db2.gz WLYCRANDJUXMSF-UHFFFAOYSA-N 1 3 349.356 2.599 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2csc(CC)n2)[C@H](C)C1 ZINC000360820366 476407918 /nfs/dbraw/zinc/40/79/18/476407918.db2.gz JPSOMWHEUDLNJO-WBVHZDCISA-N 1 3 339.549 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2csc(CC)n2)[C@H](C)C1 ZINC000360820366 476407925 /nfs/dbraw/zinc/40/79/25/476407925.db2.gz JPSOMWHEUDLNJO-WBVHZDCISA-N 1 3 339.549 2.975 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000362819858 476424747 /nfs/dbraw/zinc/42/47/47/476424747.db2.gz HXFGENSNTRPSBO-UMGGQSCQSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000362819858 476424757 /nfs/dbraw/zinc/42/47/57/476424757.db2.gz HXFGENSNTRPSBO-UMGGQSCQSA-N 1 3 343.515 2.696 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@@](C)(O)CC1)C1CCN(C)CC1 ZINC000369556231 476425360 /nfs/dbraw/zinc/42/53/60/476425360.db2.gz KEKVJKHGNSAKHC-OAQYLSRUSA-N 1 3 345.531 2.954 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@@](C)(O)CC1)C1CCN(C)CC1 ZINC000369556231 476425372 /nfs/dbraw/zinc/42/53/72/476425372.db2.gz KEKVJKHGNSAKHC-OAQYLSRUSA-N 1 3 345.531 2.954 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000354099563 476425551 /nfs/dbraw/zinc/42/55/51/476425551.db2.gz FTZNOZSTBWQQRD-FQEVSTJZSA-N 1 3 342.487 2.805 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000362819857 476425668 /nfs/dbraw/zinc/42/56/68/476425668.db2.gz HXFGENSNTRPSBO-LFGUQSLTSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000362819857 476425679 /nfs/dbraw/zinc/42/56/79/476425679.db2.gz HXFGENSNTRPSBO-LFGUQSLTSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000377535578 476439223 /nfs/dbraw/zinc/43/92/23/476439223.db2.gz JCJMXLXPEKWECC-TZMCWYRMSA-N 1 3 339.867 2.607 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373941069 476442586 /nfs/dbraw/zinc/44/25/86/476442586.db2.gz AANNOHDXMXUBIW-JYJNAYRXSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373941069 476442593 /nfs/dbraw/zinc/44/25/93/476442593.db2.gz AANNOHDXMXUBIW-JYJNAYRXSA-N 1 3 331.460 2.629 20 0 EFADHO C[NH+]1CCC2(CCCN([C@@H](C(=O)NC3CC3)c3ccccc3)C2)CC1 ZINC000374067507 476451406 /nfs/dbraw/zinc/45/14/06/476451406.db2.gz GZNGZRISHAZCLO-LJQANCHMSA-N 1 3 341.499 2.814 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374169579 476458442 /nfs/dbraw/zinc/45/84/42/476458442.db2.gz DENSNHIBOUXJDU-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374169576 476458881 /nfs/dbraw/zinc/45/88/81/476458881.db2.gz DENSNHIBOUXJDU-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000374432077 476480152 /nfs/dbraw/zinc/48/01/52/476480152.db2.gz ZXACMMVARWMWBM-UMQXSMKFSA-N 1 3 341.499 2.769 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000362919382 476480933 /nfs/dbraw/zinc/48/09/33/476480933.db2.gz TXAKXPZMOAGVQH-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO c1cc(N2CCN(CCC[NH2+]C3CCC4(CC4)CC3)CC2)ccn1 ZINC000362921853 476482689 /nfs/dbraw/zinc/48/26/89/476482689.db2.gz KGDGJGYVQVRKCP-UHFFFAOYSA-N 1 3 328.504 2.906 20 0 EFADHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc2c1OCO2 ZINC000369701505 476484834 /nfs/dbraw/zinc/48/48/34/476484834.db2.gz FKVQAXWLFNECQH-UHFFFAOYSA-N 1 3 332.444 2.732 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000357605022 476484952 /nfs/dbraw/zinc/48/49/52/476484952.db2.gz HWJYYERDGRTQGS-MRXNPFEDSA-N 1 3 346.519 2.923 20 0 EFADHO C[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCCC[C@@H]1C ZINC000351627292 476486528 /nfs/dbraw/zinc/48/65/28/476486528.db2.gz GCBLXZIRGCLYAJ-GVDBMIGSSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000377654054 476499633 /nfs/dbraw/zinc/49/96/33/476499633.db2.gz NNHAPMBOGJTAAY-APWZRJJASA-N 1 3 327.472 2.891 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000377654054 476499636 /nfs/dbraw/zinc/49/96/36/476499636.db2.gz NNHAPMBOGJTAAY-APWZRJJASA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354209531 476504551 /nfs/dbraw/zinc/50/45/51/476504551.db2.gz ITOBKYAPIWUTIP-IGQOVBAYSA-N 1 3 328.909 2.940 20 0 EFADHO O=C(NCCC[NH+]1CCCCC1)c1cccc(CN2CCCC2)c1 ZINC000357649527 476513129 /nfs/dbraw/zinc/51/31/29/476513129.db2.gz MXYKDMHBNSDEHM-UHFFFAOYSA-N 1 3 329.488 2.888 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000357655649 476517673 /nfs/dbraw/zinc/51/76/73/476517673.db2.gz VPZMLCVMGSQCGN-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000357655649 476517680 /nfs/dbraw/zinc/51/76/80/476517680.db2.gz VPZMLCVMGSQCGN-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccco1 ZINC000354231137 476525558 /nfs/dbraw/zinc/52/55/58/476525558.db2.gz QYMLFRCUNMJTKH-LJIGWXMPSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccco1 ZINC000354231137 476525565 /nfs/dbraw/zinc/52/55/65/476525565.db2.gz QYMLFRCUNMJTKH-LJIGWXMPSA-N 1 3 348.491 2.633 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCCN3CCCC3)C[C@H]2C1 ZINC000377757932 476564251 /nfs/dbraw/zinc/56/42/51/476564251.db2.gz GUFXVFXUFBOQEY-IRXDYDNUSA-N 1 3 337.508 2.661 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCCN3CCCC3)C[C@H]2C1 ZINC000377757932 476564260 /nfs/dbraw/zinc/56/42/60/476564260.db2.gz GUFXVFXUFBOQEY-IRXDYDNUSA-N 1 3 337.508 2.661 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000365372437 476569125 /nfs/dbraw/zinc/56/91/25/476569125.db2.gz XSXNLLRJQJDRKJ-CHPDAQJUSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000365372437 476569135 /nfs/dbraw/zinc/56/91/35/476569135.db2.gz XSXNLLRJQJDRKJ-CHPDAQJUSA-N 1 3 348.535 2.519 20 0 EFADHO CCn1cc(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000377765973 476569863 /nfs/dbraw/zinc/56/98/63/476569863.db2.gz VTZBPMXTZYLMGW-NHCUHLMSSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1cc(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000377765973 476569865 /nfs/dbraw/zinc/56/98/65/476569865.db2.gz VTZBPMXTZYLMGW-NHCUHLMSSA-N 1 3 338.499 2.899 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@H](C)C1 ZINC000361068085 476579913 /nfs/dbraw/zinc/57/99/13/476579913.db2.gz KHEFDQHRIUSAPE-AQNXPRMDSA-N 1 3 339.568 2.833 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361082537 476588317 /nfs/dbraw/zinc/58/83/17/476588317.db2.gz VRELJSGCDFKUFC-RDJZCZTQSA-N 1 3 341.455 2.612 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377810763 476591849 /nfs/dbraw/zinc/59/18/49/476591849.db2.gz DVAGFLMBKRRPJT-OTWHNJEPSA-N 1 3 329.488 2.562 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357779207 476597228 /nfs/dbraw/zinc/59/72/28/476597228.db2.gz JQJNPBDARMYGHY-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357779207 476597236 /nfs/dbraw/zinc/59/72/36/476597236.db2.gz JQJNPBDARMYGHY-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000357798650 476613215 /nfs/dbraw/zinc/61/32/15/476613215.db2.gz MFMKUTULRRGRPO-IRXDYDNUSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000357798650 476613217 /nfs/dbraw/zinc/61/32/17/476613217.db2.gz MFMKUTULRRGRPO-IRXDYDNUSA-N 1 3 341.455 2.851 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357812405 476623589 /nfs/dbraw/zinc/62/35/89/476623589.db2.gz HIVHBXHEMDBLIH-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357812405 476623595 /nfs/dbraw/zinc/62/35/95/476623595.db2.gz HIVHBXHEMDBLIH-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000357818053 476627466 /nfs/dbraw/zinc/62/74/66/476627466.db2.gz RZWFXHLIYQJLTJ-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1cc2nccc(NCC[N@H+](C)C3CC3)c2cc1OCC ZINC000352330067 476641608 /nfs/dbraw/zinc/64/16/08/476641608.db2.gz VFNVWMFBDNEXRZ-UHFFFAOYSA-N 1 3 329.444 2.960 20 0 EFADHO CCOc1cc2nccc(NCC[N@@H+](C)C3CC3)c2cc1OCC ZINC000352330067 476641614 /nfs/dbraw/zinc/64/16/14/476641614.db2.gz VFNVWMFBDNEXRZ-UHFFFAOYSA-N 1 3 329.444 2.960 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352332140 476642407 /nfs/dbraw/zinc/64/24/07/476642407.db2.gz YCXXLJGQVHHIRF-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352332140 476642412 /nfs/dbraw/zinc/64/24/12/476642412.db2.gz YCXXLJGQVHHIRF-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO CC(C)(C[NH2+]C1CCN(Cc2ccncc2)CC1)CN1CCCC1 ZINC000357845872 476645655 /nfs/dbraw/zinc/64/56/55/476645655.db2.gz HGTBBLHKKBTDIM-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO CN1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccs1 ZINC000377941996 476650065 /nfs/dbraw/zinc/65/00/65/476650065.db2.gz LQIPEKOKNCAXGU-NVXWUHKLSA-N 1 3 347.528 2.876 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352342929 476650623 /nfs/dbraw/zinc/65/06/23/476650623.db2.gz ALQQTQNMSFGZLO-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352342929 476650626 /nfs/dbraw/zinc/65/06/26/476650626.db2.gz ALQQTQNMSFGZLO-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000357870251 476662141 /nfs/dbraw/zinc/66/21/41/476662141.db2.gz NLGKCKSKYRGQDT-INIZCTEOSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000357870251 476662146 /nfs/dbraw/zinc/66/21/46/476662146.db2.gz NLGKCKSKYRGQDT-INIZCTEOSA-N 1 3 336.524 2.591 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1)N(C)C ZINC000357873751 476663874 /nfs/dbraw/zinc/66/38/74/476663874.db2.gz QLYKPSDSJMXMDS-OXJNMPFZSA-N 1 3 343.515 2.977 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422691111 476732860 /nfs/dbraw/zinc/73/28/60/476732860.db2.gz HLKKRJSIUPBMFU-PCCBWWKXSA-N 1 3 343.515 2.529 20 0 EFADHO CCC(CC)C(=O)N1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422700458 476735687 /nfs/dbraw/zinc/73/56/87/476735687.db2.gz BXYHJYXPEBXTSM-OXQOHEQNSA-N 1 3 345.531 2.962 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701377 476736199 /nfs/dbraw/zinc/73/61/99/476736199.db2.gz BTZUWHILVSFMBM-BJJXKVORSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701377 476736206 /nfs/dbraw/zinc/73/62/06/476736206.db2.gz BTZUWHILVSFMBM-BJJXKVORSA-N 1 3 338.293 2.745 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701380 476736224 /nfs/dbraw/zinc/73/62/24/476736224.db2.gz BTZUWHILVSFMBM-JGGQBBKZSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701380 476736229 /nfs/dbraw/zinc/73/62/29/476736229.db2.gz BTZUWHILVSFMBM-JGGQBBKZSA-N 1 3 338.293 2.745 20 0 EFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000365859691 476737912 /nfs/dbraw/zinc/73/79/12/476737912.db2.gz HWCSGKDMKWEETO-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000365859691 476737919 /nfs/dbraw/zinc/73/79/19/476737919.db2.gz HWCSGKDMKWEETO-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422713433 476739142 /nfs/dbraw/zinc/73/91/42/476739142.db2.gz PRZLKCJLQZGOOW-DJPFJPOOSA-N 1 3 339.483 2.822 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000381615057 476739817 /nfs/dbraw/zinc/73/98/17/476739817.db2.gz PZPONDHTRNHQRY-GJZGRUSLSA-N 1 3 348.491 2.942 20 0 EFADHO C[NH+]1CCC(O)(CNCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430039946 476741869 /nfs/dbraw/zinc/74/18/69/476741869.db2.gz GDZXQZOGBQHKTD-UHFFFAOYSA-N 1 3 338.879 2.675 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@@H]3CN)CC2)oc1C ZINC000422719223 476744255 /nfs/dbraw/zinc/74/42/55/476744255.db2.gz YEIVVYPNYYRNMP-QZTJIDSGSA-N 1 3 334.508 2.611 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000382699446 476745465 /nfs/dbraw/zinc/74/54/65/476745465.db2.gz LOCFRCLYWCMGLL-RTBURBONSA-N 1 3 343.515 2.889 20 0 EFADHO COc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422731212 476749179 /nfs/dbraw/zinc/74/91/79/476749179.db2.gz NDRIJIZGNXWOSH-CYBMUJFWSA-N 1 3 329.444 2.759 20 0 EFADHO FC(F)(F)c1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422738195 476754981 /nfs/dbraw/zinc/75/49/81/476754981.db2.gz IQCCLNOTWXKMPW-DJIMGWMZSA-N 1 3 342.405 2.995 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](c2ncccc2C)C(C)C)CC[NH2+]CC1 ZINC000422749079 476757787 /nfs/dbraw/zinc/75/77/87/476757787.db2.gz XKQNXDNTOVRKKE-IAGOWNOFSA-N 1 3 347.503 2.998 20 0 EFADHO C[C@@H](NC1(CN[C@H](C)[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758855 476762862 /nfs/dbraw/zinc/76/28/62/476762862.db2.gz JGSRRUXEMPHWFE-LMMKCTJWSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@@H](NC1(CN[C@@H](C)[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758860 476763655 /nfs/dbraw/zinc/76/36/55/476763655.db2.gz JGSRRUXEMPHWFE-ZIFCJYIRSA-N 1 3 331.504 2.617 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759647 476764229 /nfs/dbraw/zinc/76/42/29/476764229.db2.gz LDXVXQVSPYIKLI-RRFJBIMHSA-N 1 3 339.430 2.974 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759647 476764234 /nfs/dbraw/zinc/76/42/34/476764234.db2.gz LDXVXQVSPYIKLI-RRFJBIMHSA-N 1 3 339.430 2.974 20 0 EFADHO COc1ccc(OC)c(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422772133 476770106 /nfs/dbraw/zinc/77/01/06/476770106.db2.gz YVHYUTUHZGVYDF-DNVCBOLYSA-N 1 3 328.456 2.794 20 0 EFADHO c1ccc2c(c1)C[C@H](N[C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422787150 476774141 /nfs/dbraw/zinc/77/41/41/476774141.db2.gz RBDGZBUOAKGVNT-DJPFJPOOSA-N 1 3 336.435 2.836 20 0 EFADHO C[C@H](OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786992 476774859 /nfs/dbraw/zinc/77/48/59/476774859.db2.gz POZLNJVYCHSOBV-MTFMMBMASA-N 1 3 332.488 2.901 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000422788782 476775668 /nfs/dbraw/zinc/77/56/68/476775668.db2.gz RMMUGEWIKHLWGZ-JKSUJKDBSA-N 1 3 348.487 2.976 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422791191 476777756 /nfs/dbraw/zinc/77/77/56/476777756.db2.gz VPWURIIXSMAOHH-SLFFLAALSA-N 1 3 327.516 2.596 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1c(F)cccc1Cl ZINC000422791760 476777971 /nfs/dbraw/zinc/77/79/71/476777971.db2.gz DDHPIMXROALVJX-HABKJSAYSA-N 1 3 326.843 2.503 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388612723 476778411 /nfs/dbraw/zinc/77/84/11/476778411.db2.gz MNANSDTYFFSZHT-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@@H]3CN)CC2)c1 ZINC000422801459 476782185 /nfs/dbraw/zinc/78/21/85/476782185.db2.gz BYYBMDMJJXTXDS-TZIWHRDSSA-N 1 3 344.547 2.614 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389749296 476785004 /nfs/dbraw/zinc/78/50/04/476785004.db2.gz JANICNVIRGWBNS-UCHQMPSGSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389749296 476785012 /nfs/dbraw/zinc/78/50/12/476785012.db2.gz JANICNVIRGWBNS-UCHQMPSGSA-N 1 3 337.508 2.847 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000422806247 476785321 /nfs/dbraw/zinc/78/53/21/476785321.db2.gz NEGDGNXQYQYWCW-PWRODBHTSA-N 1 3 345.531 2.816 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422806163 476785440 /nfs/dbraw/zinc/78/54/40/476785440.db2.gz KIYBSXUCDXMOIT-SFTDATJTSA-N 1 3 344.547 2.757 20 0 EFADHO Cc1cccc(N2CCN(CCCN[C@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000422806163 476785446 /nfs/dbraw/zinc/78/54/46/476785446.db2.gz KIYBSXUCDXMOIT-SFTDATJTSA-N 1 3 344.547 2.757 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000389898735 476786190 /nfs/dbraw/zinc/78/61/90/476786190.db2.gz BOXXDYHDZJVTOH-XZEJUNMKSA-N 1 3 341.499 2.544 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)cc1 ZINC000422809784 476788982 /nfs/dbraw/zinc/78/89/82/476788982.db2.gz QPXHHZYZXUKEHF-ZMHJYQQXSA-N 1 3 332.488 2.805 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC000422814740 476790664 /nfs/dbraw/zinc/79/06/64/476790664.db2.gz ADCGJNMFMJTEAN-UWJYYQICSA-N 1 3 334.467 2.963 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000422819078 476793436 /nfs/dbraw/zinc/79/34/36/476793436.db2.gz MFBMFBMGIWVLNK-WBVHZDCISA-N 1 3 333.476 2.785 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390771209 476798866 /nfs/dbraw/zinc/79/88/66/476798866.db2.gz JNDPWFSARWDGSJ-IPMKNSEASA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Br ZINC000422830346 476799694 /nfs/dbraw/zinc/79/96/94/476799694.db2.gz CVKUJAAUGGZKRM-YRGRVCCFSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1ccccc1Br ZINC000422830346 476799699 /nfs/dbraw/zinc/79/96/99/476799699.db2.gz CVKUJAAUGGZKRM-YRGRVCCFSA-N 1 3 327.266 2.933 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422829331 476799796 /nfs/dbraw/zinc/79/97/96/476799796.db2.gz BTVLCKWODKDXDZ-KNCOVGOOSA-N 1 3 326.868 2.839 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422845797 476806389 /nfs/dbraw/zinc/80/63/89/476806389.db2.gz OQEBNIKRZUVDGR-OKZBNKHCSA-N 1 3 337.577 2.858 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844040 476806911 /nfs/dbraw/zinc/80/69/11/476806911.db2.gz KQRZCXDJBAGSGR-HNNXBMFYSA-N 1 3 348.560 2.861 20 0 EFADHO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375393034 476813091 /nfs/dbraw/zinc/81/30/91/476813091.db2.gz SZRIBOFJSOAEMU-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375393034 476813100 /nfs/dbraw/zinc/81/31/00/476813100.db2.gz SZRIBOFJSOAEMU-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375393034 476813105 /nfs/dbraw/zinc/81/31/05/476813105.db2.gz SZRIBOFJSOAEMU-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422855727 476813805 /nfs/dbraw/zinc/81/38/05/476813805.db2.gz VXZWJMWRUFXPTM-XGXHKWSGSA-N 1 3 336.451 2.730 20 0 EFADHO C[C@@H]1CCCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422860545 476815490 /nfs/dbraw/zinc/81/54/90/476815490.db2.gz LNGANPOEXMLJOH-KPFFTGBYSA-N 1 3 329.488 2.564 20 0 EFADHO C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422868238 476819117 /nfs/dbraw/zinc/81/91/17/476819117.db2.gz URDHEYTUPNGVRE-KBXCAEBGSA-N 1 3 333.451 2.551 20 0 EFADHO COc1cc2[nH]c(CCCN[C@@H]3C[NH2+]CC[C@H]3C)cc2c(OC)c1 ZINC000422869118 476819690 /nfs/dbraw/zinc/81/96/90/476819690.db2.gz WDZHGORIKTZUCO-FZKQIMNGSA-N 1 3 331.460 2.705 20 0 EFADHO CC1CCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422870798 476820982 /nfs/dbraw/zinc/82/09/82/476820982.db2.gz ZEAULNXMSNDMEE-AZUAARDMSA-N 1 3 329.488 2.564 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)cc1OC(F)F ZINC000422885599 476827204 /nfs/dbraw/zinc/82/72/04/476827204.db2.gz YXHFLNHCTUEUHC-GXTWGEPZSA-N 1 3 328.403 2.817 20 0 EFADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC(F)F ZINC000422885599 476827211 /nfs/dbraw/zinc/82/72/11/476827211.db2.gz YXHFLNHCTUEUHC-GXTWGEPZSA-N 1 3 328.403 2.817 20 0 EFADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422886635 476827561 /nfs/dbraw/zinc/82/75/61/476827561.db2.gz JIQLJTFVBWPVQC-DFQSSKMNSA-N 1 3 327.472 2.847 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000392703556 476828864 /nfs/dbraw/zinc/82/88/64/476828864.db2.gz GZBSKIITRWRSKN-GUDVDZBRSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000422890587 476830109 /nfs/dbraw/zinc/83/01/09/476830109.db2.gz SLWZQODZTSVWOX-HNNXBMFYSA-N 1 3 340.533 2.865 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422898391 476833141 /nfs/dbraw/zinc/83/31/41/476833141.db2.gz FAABTOYUNGKERY-OBJOEFQTSA-N 1 3 347.286 2.840 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422898391 476833148 /nfs/dbraw/zinc/83/31/48/476833148.db2.gz FAABTOYUNGKERY-OBJOEFQTSA-N 1 3 347.286 2.840 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422899320 476835873 /nfs/dbraw/zinc/83/58/73/476835873.db2.gz OJJZAJSXWRKOHT-VQTJNVASSA-N 1 3 325.456 2.861 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422899267 476836007 /nfs/dbraw/zinc/83/60/07/476836007.db2.gz OCFDAWWZYXXGKZ-VAMGGRTRSA-N 1 3 331.504 2.637 20 0 EFADHO CN(C)CCOc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422899318 476836332 /nfs/dbraw/zinc/83/63/32/476836332.db2.gz OJJZAJSXWRKOHT-UXHICEINSA-N 1 3 325.456 2.861 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000422904412 476839585 /nfs/dbraw/zinc/83/95/85/476839585.db2.gz XKJAAKOCHLRHGD-HSALFYBXSA-N 1 3 328.504 2.556 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H]3CN)CC2)cs1 ZINC000422913541 476843133 /nfs/dbraw/zinc/84/31/33/476843133.db2.gz QDVWKYHJYSWTIK-DOTOQJQBSA-N 1 3 336.549 2.635 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@H]3CN)CC2)cs1 ZINC000422913543 476843191 /nfs/dbraw/zinc/84/31/91/476843191.db2.gz QDVWKYHJYSWTIK-RDJZCZTQSA-N 1 3 336.549 2.635 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(OCCN(C)C)c1 ZINC000422913866 476843250 /nfs/dbraw/zinc/84/32/50/476843250.db2.gz QZTJMENVYYJPGE-UZLBHIALSA-N 1 3 327.472 2.997 20 0 EFADHO Cc1cc(C(=O)NC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)c(C)o1 ZINC000370504397 476844884 /nfs/dbraw/zinc/84/48/84/476844884.db2.gz HKXBDTRVRRRZLB-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422917795 476845540 /nfs/dbraw/zinc/84/55/40/476845540.db2.gz HAMMLCSRDCAJIF-NKGKWGDASA-N 1 3 338.879 2.854 20 0 EFADHO CCN1CCN(Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000422918407 476845718 /nfs/dbraw/zinc/84/57/18/476845718.db2.gz HXKVJUMVMGOPSF-YOFSQIOKSA-N 1 3 328.504 2.519 20 0 EFADHO C[C@@H]([NH3+])C[C@H](C)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922671 476846937 /nfs/dbraw/zinc/84/69/37/476846937.db2.gz QODMNYNPYMYDOS-BDAKNGLRSA-N 1 3 325.762 2.848 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922672 476847181 /nfs/dbraw/zinc/84/71/81/476847181.db2.gz QODMNYNPYMYDOS-DTWKUNHWSA-N 1 3 325.762 2.848 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCNc1ccc2ccccc2n1 ZINC000422921566 476847267 /nfs/dbraw/zinc/84/72/67/476847267.db2.gz QMPVTRRZHGQWFW-AWEZNQCLSA-N 1 3 335.455 3.160 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938268 476855178 /nfs/dbraw/zinc/85/51/78/476855178.db2.gz DLWKCBQGAVKMJV-DOMZBBRYSA-N 1 3 327.266 2.935 20 0 EFADHO [NH3+][C@H]1C[C@H](NCCCc2nnc3n2CCCCC3)c2ccccc21 ZINC000422925443 476848536 /nfs/dbraw/zinc/84/85/36/476848536.db2.gz VGIHCAJDTUOVIR-IRXDYDNUSA-N 1 3 325.460 2.672 20 0 EFADHO c1cc2c(cc1CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000422931078 476849976 /nfs/dbraw/zinc/84/99/76/476849976.db2.gz WXBYAIXPLILHOB-RCCFBDPRSA-N 1 3 330.472 2.901 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430545422 476852243 /nfs/dbraw/zinc/85/22/43/476852243.db2.gz QJYYNAXEGKMBEH-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422938268 476855173 /nfs/dbraw/zinc/85/51/73/476855173.db2.gz DLWKCBQGAVKMJV-DOMZBBRYSA-N 1 3 327.266 2.935 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422941538 476857307 /nfs/dbraw/zinc/85/73/07/476857307.db2.gz JKMUIBPZOSFLJT-WFASDCNBSA-N 1 3 327.266 2.806 20 0 EFADHO CCOC(=O)C1([C@H](C)NC2(c3ccccc3F)CC2)CC[NH2+]CC1 ZINC000422942638 476857891 /nfs/dbraw/zinc/85/78/91/476857891.db2.gz JKQIPJNTRVRCHF-AWEZNQCLSA-N 1 3 334.435 2.726 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2OCCN(C)C)cn1 ZINC000414061258 476858008 /nfs/dbraw/zinc/85/80/08/476858008.db2.gz ANYQQFPPTDEUBK-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3ccn(C)n3)CC2)cc1 ZINC000414064458 476859532 /nfs/dbraw/zinc/85/95/32/476859532.db2.gz DVSFCAYSYIFUIU-MRXNPFEDSA-N 1 3 342.487 2.992 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)cn1 ZINC000414065056 476860304 /nfs/dbraw/zinc/86/03/04/476860304.db2.gz GLPKPJCHNDXKJP-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000422948242 476861209 /nfs/dbraw/zinc/86/12/09/476861209.db2.gz QYJLIXDOLIAMPQ-NEYJZJCJSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000398038191 476865539 /nfs/dbraw/zinc/86/55/39/476865539.db2.gz JRTADAZYAWAOQJ-AEFFLSMTSA-N 1 3 329.488 2.532 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414076660 476866342 /nfs/dbraw/zinc/86/63/42/476866342.db2.gz YLVCDSOGBMRRFZ-IRXDYDNUSA-N 1 3 325.541 2.584 20 0 EFADHO CCOC(=O)C1([C@@H](C)NC2(c3cccc(OC)c3)CC2)CC[NH2+]CC1 ZINC000422961660 476868131 /nfs/dbraw/zinc/86/81/31/476868131.db2.gz ZMWNAJCNFXEJOR-OAHLLOKOSA-N 1 3 346.471 2.595 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CCCCCC1 ZINC000422961967 476868515 /nfs/dbraw/zinc/86/85/15/476868515.db2.gz DONXNXUSJMKFIR-YRPNKDGESA-N 1 3 337.552 2.634 20 0 EFADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CN ZINC000430583457 476868590 /nfs/dbraw/zinc/86/85/90/476868590.db2.gz MIDVHAFGXDNUPX-IUODEOHRSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CN ZINC000430583457 476868593 /nfs/dbraw/zinc/86/85/93/476868593.db2.gz MIDVHAFGXDNUPX-IUODEOHRSA-N 1 3 334.851 2.992 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNc1cccc(Br)c1 ZINC000422964448 476868616 /nfs/dbraw/zinc/86/86/16/476868616.db2.gz LRBRXJFFHQNDHK-IUODEOHRSA-N 1 3 326.282 2.968 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964448 476868623 /nfs/dbraw/zinc/86/86/23/476868623.db2.gz LRBRXJFFHQNDHK-IUODEOHRSA-N 1 3 326.282 2.968 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000422961615 476868933 /nfs/dbraw/zinc/86/89/33/476868933.db2.gz CJWCQWFBPJHYOO-QXAKKESOSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000422961615 476868939 /nfs/dbraw/zinc/86/89/39/476868939.db2.gz CJWCQWFBPJHYOO-QXAKKESOSA-N 1 3 327.472 2.965 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@](C)(C[NH3+])C3CC3)n2)cc1F ZINC000430590783 476872049 /nfs/dbraw/zinc/87/20/49/476872049.db2.gz DIRDZSKGHNDJMJ-GOSISDBHSA-N 1 3 332.423 2.834 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]CCSCc3ccccc3)C2)CC1 ZINC000370562770 476873313 /nfs/dbraw/zinc/87/33/13/476873313.db2.gz ZDOZYCNRIKLUQM-GOSISDBHSA-N 1 3 333.545 2.678 20 0 EFADHO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)c1 ZINC000414181082 476874776 /nfs/dbraw/zinc/87/47/76/476874776.db2.gz BVLNSDJJPBPIIS-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO Cc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cs1 ZINC000414189920 476874816 /nfs/dbraw/zinc/87/48/16/476874816.db2.gz JZJBEBUPWKYCAB-MRXNPFEDSA-N 1 3 337.533 2.504 20 0 EFADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000430597852 476875723 /nfs/dbraw/zinc/87/57/23/476875723.db2.gz BDOAEVDINLOXSI-UHFFFAOYSA-N 1 3 329.366 2.718 20 0 EFADHO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCNCC1 ZINC000430597852 476875729 /nfs/dbraw/zinc/87/57/29/476875729.db2.gz BDOAEVDINLOXSI-UHFFFAOYSA-N 1 3 329.366 2.718 20 0 EFADHO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CCNCC1 ZINC000430597852 476875734 /nfs/dbraw/zinc/87/57/34/476875734.db2.gz BDOAEVDINLOXSI-UHFFFAOYSA-N 1 3 329.366 2.718 20 0 EFADHO [NH3+][C@H]1CCCCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422978432 476876891 /nfs/dbraw/zinc/87/68/91/476876891.db2.gz HDXHQZXELXIIJZ-VQTJNVASSA-N 1 3 331.504 2.963 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981474 476877470 /nfs/dbraw/zinc/87/74/70/476877470.db2.gz OHMMZPBCBLWJSM-JXFKEZNVSA-N 1 3 331.504 2.691 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000457104802 476877598 /nfs/dbraw/zinc/87/75/98/476877598.db2.gz BWAPUOOSEQXGAN-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000457104802 476877603 /nfs/dbraw/zinc/87/76/03/476877603.db2.gz BWAPUOOSEQXGAN-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953489 476877923 /nfs/dbraw/zinc/87/79/23/476877923.db2.gz FYIMMBBJTIONHO-BZUAXINKSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953489 476877929 /nfs/dbraw/zinc/87/79/29/476877929.db2.gz FYIMMBBJTIONHO-BZUAXINKSA-N 1 3 337.508 2.848 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986075 476879396 /nfs/dbraw/zinc/87/93/96/476879396.db2.gz BHOYPNRWUHIFHV-UKPHBRMFSA-N 1 3 344.421 2.964 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994412 476882794 /nfs/dbraw/zinc/88/27/94/476882794.db2.gz VLQVICZPIQUZEM-IVMMDQJWSA-N 1 3 330.394 2.573 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994412 476882799 /nfs/dbraw/zinc/88/27/99/476882799.db2.gz VLQVICZPIQUZEM-IVMMDQJWSA-N 1 3 330.394 2.573 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994411 476882989 /nfs/dbraw/zinc/88/29/89/476882989.db2.gz VLQVICZPIQUZEM-INWMFGNUSA-N 1 3 330.394 2.573 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994411 476882990 /nfs/dbraw/zinc/88/29/90/476882990.db2.gz VLQVICZPIQUZEM-INWMFGNUSA-N 1 3 330.394 2.573 20 0 EFADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422991328 476883094 /nfs/dbraw/zinc/88/30/94/476883094.db2.gz PHXLMQYFGDBMBC-SLFFLAALSA-N 1 3 332.488 2.765 20 0 EFADHO CC[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414489458 476883692 /nfs/dbraw/zinc/88/36/92/476883692.db2.gz WDSRRPPTPALVMK-LJQANCHMSA-N 1 3 345.531 2.566 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@@H](O)C(C)C ZINC000414527684 476883837 /nfs/dbraw/zinc/88/38/37/476883837.db2.gz NGANXOXMLYUIIH-QUCCMNQESA-N 1 3 333.520 2.714 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000399744917 476884972 /nfs/dbraw/zinc/88/49/72/476884972.db2.gz MPOQPRQPSPIYGO-ISARSNTHSA-N 1 3 331.504 2.775 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000399730864 476886233 /nfs/dbraw/zinc/88/62/33/476886233.db2.gz LVNHEYPXZYJKHX-LPHOPBHVSA-N 1 3 346.519 2.695 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000414680107 476886976 /nfs/dbraw/zinc/88/69/76/476886976.db2.gz SPOVKFUKJYCTTA-OXJNMPFZSA-N 1 3 341.499 2.726 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000414680107 476886982 /nfs/dbraw/zinc/88/69/82/476886982.db2.gz SPOVKFUKJYCTTA-OXJNMPFZSA-N 1 3 341.499 2.726 20 0 EFADHO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687331 476887069 /nfs/dbraw/zinc/88/70/69/476887069.db2.gz CKSTWRJYXAKINA-IEBWSBKVSA-N 1 3 329.488 2.719 20 0 EFADHO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687331 476887077 /nfs/dbraw/zinc/88/70/77/476887077.db2.gz CKSTWRJYXAKINA-IEBWSBKVSA-N 1 3 329.488 2.719 20 0 EFADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414682034 476887436 /nfs/dbraw/zinc/88/74/36/476887436.db2.gz XKJPMDRDWFTYAA-GJZGRUSLSA-N 1 3 328.460 2.934 20 0 EFADHO C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1c2ccccc2-c2ccccc21 ZINC000414697900 476887689 /nfs/dbraw/zinc/88/76/89/476887689.db2.gz CQJVJEHELLDOFM-INIZCTEOSA-N 1 3 349.478 2.886 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)C1c2ccccc2-c2ccccc21 ZINC000414697900 476887698 /nfs/dbraw/zinc/88/76/98/476887698.db2.gz CQJVJEHELLDOFM-INIZCTEOSA-N 1 3 349.478 2.886 20 0 EFADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004850 476887946 /nfs/dbraw/zinc/88/79/46/476887946.db2.gz QAAIQGUHYWAPJP-KPFFTGBYSA-N 1 3 332.488 2.875 20 0 EFADHO CC(C)C[C@H]([NH3+])CN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000414714018 476888773 /nfs/dbraw/zinc/88/87/73/476888773.db2.gz WSONRNKWMKKJTE-LNLFQRSKSA-N 1 3 325.541 2.571 20 0 EFADHO C[C@H](NC(=O)Nc1ccccc1CCN(C)C)C(C)(C)C[NH+](C)C ZINC000446586567 476891137 /nfs/dbraw/zinc/89/11/37/476891137.db2.gz OQLNYUZSLKEVRW-HNNXBMFYSA-N 1 3 334.508 2.889 20 0 EFADHO C[C@H](C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000400575894 476892109 /nfs/dbraw/zinc/89/21/09/476892109.db2.gz OYIRTELKQZRQFQ-HUUCEWRRSA-N 1 3 327.513 2.809 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000414778807 476892077 /nfs/dbraw/zinc/89/20/77/476892077.db2.gz IZWLLAPUKZICSL-LLVKDONJSA-N 1 3 340.265 2.508 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCNCC1 ZINC000414778807 476892080 /nfs/dbraw/zinc/89/20/80/476892080.db2.gz IZWLLAPUKZICSL-LLVKDONJSA-N 1 3 340.265 2.508 20 0 EFADHO CC[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423018173 476893101 /nfs/dbraw/zinc/89/31/01/476893101.db2.gz YFQJKJUEPQMLRI-GBESFXJTSA-N 1 3 329.488 2.545 20 0 EFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017054 476893122 /nfs/dbraw/zinc/89/31/22/476893122.db2.gz NVZGBWZHJMDOQN-MAZHCROVSA-N 1 3 330.831 2.653 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000423030138 476896412 /nfs/dbraw/zinc/89/64/12/476896412.db2.gz JEKJRQKNMXNVGE-JRGCBEDISA-N 1 3 345.531 2.654 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](N)C3)C[C@H]2C1 ZINC000401119055 476896827 /nfs/dbraw/zinc/89/68/27/476896827.db2.gz MYMOLYBYSRJZGC-VIQHNZTISA-N 1 3 337.508 2.882 20 0 EFADHO CC(C)(C)NCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401099170 476896964 /nfs/dbraw/zinc/89/69/64/476896964.db2.gz FPPUXGXSFWSYCH-ARFHVFGLSA-N 1 3 339.524 3.000 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028864 476897710 /nfs/dbraw/zinc/89/77/10/476897710.db2.gz HFEQBBCLIOLUGL-ZBFHGGJFSA-N 1 3 332.423 2.915 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H](CCO)c1ccccc1Br ZINC000423032385 476898351 /nfs/dbraw/zinc/89/83/51/476898351.db2.gz MIOFCQDLYIOLJR-SWLSCSKDSA-N 1 3 329.282 2.980 20 0 EFADHO COc1cc(Br)ccc1CCCN[C@H](C)C1C[NH2+]C1 ZINC000423038237 476899929 /nfs/dbraw/zinc/89/99/29/476899929.db2.gz YAHLJRPXKGGINP-LLVKDONJSA-N 1 3 327.266 2.588 20 0 EFADHO COc1cc(Br)ccc1CCC[NH2+][C@H](C)C1CNC1 ZINC000423038237 476899938 /nfs/dbraw/zinc/89/99/38/476899938.db2.gz YAHLJRPXKGGINP-LLVKDONJSA-N 1 3 327.266 2.588 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423044389 476904482 /nfs/dbraw/zinc/90/44/82/476904482.db2.gz AMPGPNNZCMZXOM-AAEUAGOBSA-N 1 3 329.366 2.528 20 0 EFADHO FC(F)(F)[C@@H](CNCc1cc2ccccc2s1)N1CC[NH2+]CC1 ZINC000414964832 476904931 /nfs/dbraw/zinc/90/49/31/476904931.db2.gz CLIXXMYZTACVGW-OAHLLOKOSA-N 1 3 343.418 2.827 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423047132 476905152 /nfs/dbraw/zinc/90/51/52/476905152.db2.gz UXEGNYGOESQSCS-YGRLFVJLSA-N 1 3 330.259 2.816 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423048384 476905222 /nfs/dbraw/zinc/90/52/22/476905222.db2.gz HUAOYVYLIGKZRV-OCCSQVGLSA-N 1 3 343.393 2.918 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423048892 476905265 /nfs/dbraw/zinc/90/52/65/476905265.db2.gz JJKLWYNOVCEWIS-MBPVOVBZSA-N 1 3 344.499 2.862 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047202 476905909 /nfs/dbraw/zinc/90/59/09/476905909.db2.gz FVKOAUQLASAGRL-KGLIPLIRSA-N 1 3 331.382 2.672 20 0 EFADHO Cn1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423051877 476906543 /nfs/dbraw/zinc/90/65/43/476906543.db2.gz OMBQBECOMKSQMU-GBESFXJTSA-N 1 3 345.462 2.607 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)cc1 ZINC000370636526 476907113 /nfs/dbraw/zinc/90/71/13/476907113.db2.gz RPVOZXMUDKYCDE-PXNSSMCTSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370636263 476907778 /nfs/dbraw/zinc/90/77/78/476907778.db2.gz RDXWUGDTAGYTSS-UTKZUKDTSA-N 1 3 343.515 2.831 20 0 EFADHO [NH3+][C@H]1C[C@H](NCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000423058964 476909982 /nfs/dbraw/zinc/90/99/82/476909982.db2.gz DNGXLFKTQNLSBV-HOTGVXAUSA-N 1 3 327.394 2.995 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058588 476910078 /nfs/dbraw/zinc/91/00/78/476910078.db2.gz CQDDEINSNQXJSI-ZLIFDBKOSA-N 1 3 335.879 2.716 20 0 EFADHO FC(F)Oc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423071504 476914879 /nfs/dbraw/zinc/91/48/79/476914879.db2.gz OMNAAJUZZDFCJY-BZUAXINKSA-N 1 3 340.414 2.577 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000430766047 476915084 /nfs/dbraw/zinc/91/50/84/476915084.db2.gz SQPIIFJUNBOLLY-JTDSTZFVSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000430766047 476915091 /nfs/dbraw/zinc/91/50/91/476915091.db2.gz SQPIIFJUNBOLLY-JTDSTZFVSA-N 1 3 331.504 2.764 20 0 EFADHO FC(F)Oc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423071505 476915656 /nfs/dbraw/zinc/91/56/56/476915656.db2.gz OMNAAJUZZDFCJY-HRCADAONSA-N 1 3 340.414 2.577 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000430766045 476915744 /nfs/dbraw/zinc/91/57/44/476915744.db2.gz SQPIIFJUNBOLLY-GPMSIDNRSA-N 1 3 331.504 2.764 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000423072769 476916803 /nfs/dbraw/zinc/91/68/03/476916803.db2.gz JURWAKKZPLCDOR-FOIQADDNSA-N 1 3 327.472 2.741 20 0 EFADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCCC1 ZINC000446751274 476916997 /nfs/dbraw/zinc/91/69/97/476916997.db2.gz KBXFVHANDUFDDV-OAQYLSRUSA-N 1 3 345.531 2.729 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073532 476917453 /nfs/dbraw/zinc/91/74/53/476917453.db2.gz IZQIWZCUPVKLSJ-GUDVDZBRSA-N 1 3 333.545 2.854 20 0 EFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000423074003 476917489 /nfs/dbraw/zinc/91/74/89/476917489.db2.gz KLXRMSXWEWYKPW-OUUBHVDSSA-N 1 3 332.463 2.802 20 0 EFADHO CC[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423076549 476918277 /nfs/dbraw/zinc/91/82/77/476918277.db2.gz RNUYGJOUTKXUAP-PCCBWWKXSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423079204 476918713 /nfs/dbraw/zinc/91/87/13/476918713.db2.gz XRQLUXAMJLSPRR-MRFFXTKBSA-N 1 3 343.446 2.805 20 0 EFADHO C[C@@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423079003 476919064 /nfs/dbraw/zinc/91/90/64/476919064.db2.gz XFIZOGNCYRQCEG-OKDNKWQNSA-N 1 3 338.879 2.854 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000430802841 476919659 /nfs/dbraw/zinc/91/96/59/476919659.db2.gz OPCXOQGARVWRSX-KVSKMBFKSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000430802841 476919663 /nfs/dbraw/zinc/91/96/63/476919663.db2.gz OPCXOQGARVWRSX-KVSKMBFKSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080301 476920937 /nfs/dbraw/zinc/92/09/37/476920937.db2.gz ZLXLVYYTHYYPDC-TTYHFUOFSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080301 476920942 /nfs/dbraw/zinc/92/09/42/476920942.db2.gz ZLXLVYYTHYYPDC-TTYHFUOFSA-N 1 3 334.479 2.877 20 0 EFADHO CC(C)[C@H](COCc1ccccc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000446819676 476922878 /nfs/dbraw/zinc/92/28/78/476922878.db2.gz ZAXPVJHBXAUSAW-RTWAWAEBSA-N 1 3 348.531 2.910 20 0 EFADHO CC(C)[C@H](COCc1ccccc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000446819677 476923728 /nfs/dbraw/zinc/92/37/28/476923728.db2.gz ZAXPVJHBXAUSAW-SFTDATJTSA-N 1 3 348.531 2.910 20 0 EFADHO Cc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1I ZINC000423092632 476925632 /nfs/dbraw/zinc/92/56/32/476925632.db2.gz CTGSGMAHTMFFKQ-TZMCWYRMSA-N 1 3 344.240 2.817 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093349 476925992 /nfs/dbraw/zinc/92/59/92/476925992.db2.gz HCJFFJAAOLQMHG-RCBQFDQVSA-N 1 3 346.393 2.512 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423093349 476925999 /nfs/dbraw/zinc/92/59/99/476925999.db2.gz HCJFFJAAOLQMHG-RCBQFDQVSA-N 1 3 346.393 2.512 20 0 EFADHO COc1cc2c(c(CNCC3CC[NH+](C4CC4)CC3)c1)O[C@@H](C)C2 ZINC000446889905 476931432 /nfs/dbraw/zinc/93/14/32/476931432.db2.gz DBNVMOJNAYPZMB-AWEZNQCLSA-N 1 3 330.472 2.983 20 0 EFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423108290 476931857 /nfs/dbraw/zinc/93/18/57/476931857.db2.gz QWAYMXUATVETQI-CADBVGFASA-N 1 3 348.535 2.567 20 0 EFADHO CCOc1c(CN2CCC3(CC[NH2+]C3)CC2)c(C)nn1CC(C)C ZINC000430915514 476933650 /nfs/dbraw/zinc/93/36/50/476933650.db2.gz QJYXPVXBBLMPKV-UHFFFAOYSA-N 1 3 334.508 2.822 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@H]2CN)cc1OC ZINC000423148037 476943743 /nfs/dbraw/zinc/94/37/43/476943743.db2.gz FAYRQCRCZYDVBT-HOTGVXAUSA-N 1 3 336.476 2.752 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148635 476945774 /nfs/dbraw/zinc/94/57/74/476945774.db2.gz WFCJHMMQSLJRFR-XJKSGUPXSA-N 1 3 344.908 2.611 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148635 476945779 /nfs/dbraw/zinc/94/57/79/476945779.db2.gz WFCJHMMQSLJRFR-XJKSGUPXSA-N 1 3 344.908 2.611 20 0 EFADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1Br ZINC000423158180 476949565 /nfs/dbraw/zinc/94/95/65/476949565.db2.gz CHXSAKHRBJRXEI-OSAQELSMSA-N 1 3 327.266 2.599 20 0 EFADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423164920 476950863 /nfs/dbraw/zinc/95/08/63/476950863.db2.gz UAJDPHRXZPFOEO-CZKCSJLSSA-N 1 3 330.472 2.688 20 0 EFADHO [NH3+]C[C@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430964029 476952537 /nfs/dbraw/zinc/95/25/37/476952537.db2.gz XGMAJAPVXFBXIC-BEFAXECRSA-N 1 3 343.496 2.624 20 0 EFADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423177342 476954050 /nfs/dbraw/zinc/95/40/50/476954050.db2.gz HGLAKSMAJXIXHI-LFAQGZIKSA-N 1 3 330.472 2.545 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423176327 476954114 /nfs/dbraw/zinc/95/41/14/476954114.db2.gz GSXYMBRGKJEBRZ-CYBMUJFWSA-N 1 3 331.382 2.531 20 0 EFADHO Cc1ccc(OC(F)F)c([C@H](C)NCCCN2CC[NH2+]CC2)c1 ZINC000423175658 476954125 /nfs/dbraw/zinc/95/41/25/476954125.db2.gz FIGLYOIWPAUMDQ-AWEZNQCLSA-N 1 3 327.419 2.542 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423174057 476954289 /nfs/dbraw/zinc/95/42/89/476954289.db2.gz BCZGYBAOLUSOFL-MXEMCNAFSA-N 1 3 345.531 2.631 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423183918 476957856 /nfs/dbraw/zinc/95/78/56/476957856.db2.gz SJZIVFQJBJUSEN-SFHVURJKSA-N 1 3 327.476 2.969 20 0 EFADHO CN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)[C@H]1CCCc2ccccc21 ZINC000431011647 476958935 /nfs/dbraw/zinc/95/89/35/476958935.db2.gz BIOZRPBEEZZDID-IBGZPJMESA-N 1 3 341.499 2.598 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013204 476960518 /nfs/dbraw/zinc/96/05/18/476960518.db2.gz HSMGYAXYFBYNHA-SJORKVTESA-N 1 3 343.515 2.890 20 0 EFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415893141 476961791 /nfs/dbraw/zinc/96/17/91/476961791.db2.gz KBFIZJVUTMSAFE-UHFFFAOYSA-N 1 3 344.503 2.918 20 0 EFADHO CNCCC[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423199689 476962153 /nfs/dbraw/zinc/96/21/53/476962153.db2.gz KNDGGTYCULIIKS-GFCCVEGCSA-N 1 3 346.256 2.811 20 0 EFADHO C[NH2+]CCCN[C@H](C)CCc1ccc(I)cc1 ZINC000423199689 476962160 /nfs/dbraw/zinc/96/21/60/476962160.db2.gz KNDGGTYCULIIKS-GFCCVEGCSA-N 1 3 346.256 2.811 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431029566 476963053 /nfs/dbraw/zinc/96/30/53/476963053.db2.gz FGTDSJZWROMKER-HNNXBMFYSA-N 1 3 349.906 2.935 20 0 EFADHO CSC[C@H](NCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423205803 476963906 /nfs/dbraw/zinc/96/39/06/476963906.db2.gz PPHIUPLPSCXSOS-HNNXBMFYSA-N 1 3 347.450 2.604 20 0 EFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431032516 476963909 /nfs/dbraw/zinc/96/39/09/476963909.db2.gz JWWWEECTEHUKSF-IAGOWNOFSA-N 1 3 329.488 2.636 20 0 EFADHO CN(CCN(Cc1ccccc1)C(=O)CCC[NH3+])Cc1ccccc1 ZINC000431038897 476965421 /nfs/dbraw/zinc/96/54/21/476965421.db2.gz UPCQDXNXVXDUOG-UHFFFAOYSA-N 1 3 339.483 2.886 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000431066431 476969646 /nfs/dbraw/zinc/96/96/46/476969646.db2.gz TUYRAMFCARUWEH-AHRSYUTCSA-N 1 3 337.467 2.681 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000431063235 476969896 /nfs/dbraw/zinc/96/98/96/476969896.db2.gz YVZXFNCRJRQJED-HTDHLNIYSA-N 1 3 341.499 2.859 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000447304696 476976180 /nfs/dbraw/zinc/97/61/80/476976180.db2.gz MLCWPHDPJNYSSL-SJORKVTESA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000447304696 476976186 /nfs/dbraw/zinc/97/61/86/476976186.db2.gz MLCWPHDPJNYSSL-SJORKVTESA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)nc1 ZINC000447304696 476976193 /nfs/dbraw/zinc/97/61/93/476976193.db2.gz MLCWPHDPJNYSSL-SJORKVTESA-N 1 3 344.503 2.961 20 0 EFADHO CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423274760 476980169 /nfs/dbraw/zinc/98/01/69/476980169.db2.gz MJFWMJNYJBYYJH-GXFFZTMASA-N 1 3 332.229 2.925 20 0 EFADHO O=C([C@@H]1CCCN(Cc2ccccc2)C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789172 476983908 /nfs/dbraw/zinc/98/39/08/476983908.db2.gz UTKFLLYTIMOPDZ-GOSISDBHSA-N 1 3 341.499 2.642 20 0 EFADHO CCOC(C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000375754022 476987285 /nfs/dbraw/zinc/98/72/85/476987285.db2.gz BOXFALZPLKGYRX-FQEVSTJZSA-N 1 3 332.488 2.984 20 0 EFADHO CCOC(C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000375754022 476987290 /nfs/dbraw/zinc/98/72/90/476987290.db2.gz BOXFALZPLKGYRX-FQEVSTJZSA-N 1 3 332.488 2.984 20 0 EFADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(I)cc1 ZINC000423315170 476990688 /nfs/dbraw/zinc/99/06/88/476990688.db2.gz IPQPXKCZGWAIDI-ZANVPECISA-N 1 3 330.213 2.679 20 0 EFADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000423318518 476992195 /nfs/dbraw/zinc/99/21/95/476992195.db2.gz BWRYEHMQSPKKHA-LJQANCHMSA-N 1 3 347.503 2.541 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423318694 476992248 /nfs/dbraw/zinc/99/22/48/476992248.db2.gz ZEZICIFFHLJUJD-GOSISDBHSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423322246 476994099 /nfs/dbraw/zinc/99/40/99/476994099.db2.gz GHLKDDVJPKJVTQ-UWVAXJGDSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423322246 476994105 /nfs/dbraw/zinc/99/41/05/476994105.db2.gz GHLKDDVJPKJVTQ-UWVAXJGDSA-N 1 3 343.515 2.923 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447441673 476994386 /nfs/dbraw/zinc/99/43/86/476994386.db2.gz QKCGZPBBBYRKOP-RTBURBONSA-N 1 3 325.456 2.830 20 0 EFADHO Cc1c([C@@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000423325914 476995727 /nfs/dbraw/zinc/99/57/27/476995727.db2.gz JZWQNTHRDOEOCL-CYBMUJFWSA-N 1 3 331.439 2.755 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000423333749 476997314 /nfs/dbraw/zinc/99/73/14/476997314.db2.gz OKMYBNREVCUADL-UWVAXJGDSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000423333749 476997319 /nfs/dbraw/zinc/99/73/19/476997319.db2.gz OKMYBNREVCUADL-UWVAXJGDSA-N 1 3 343.515 2.923 20 0 EFADHO CC(C)[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000423333686 476997554 /nfs/dbraw/zinc/99/75/54/476997554.db2.gz SBSHYAIJIYBRCC-YJBOKZPZSA-N 1 3 331.504 2.559 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423338489 476998814 /nfs/dbraw/zinc/99/88/14/476998814.db2.gz RTXDCKIUADKCPV-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423338489 476998817 /nfs/dbraw/zinc/99/88/17/476998817.db2.gz RTXDCKIUADKCPV-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423342074 476999179 /nfs/dbraw/zinc/99/91/79/476999179.db2.gz UYGYSNPWNFHHSD-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423342074 476999187 /nfs/dbraw/zinc/99/91/87/476999187.db2.gz UYGYSNPWNFHHSD-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO Cc1ccc([C@@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423338284 476999952 /nfs/dbraw/zinc/99/99/52/476999952.db2.gz WAAOFPBLNQAQPW-LJQANCHMSA-N 1 3 346.496 2.816 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423346450 477001384 /nfs/dbraw/zinc/00/13/84/477001384.db2.gz PHAITYBGDLVXFP-ZWKOTPCHSA-N 1 3 329.488 2.799 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)CC1 ZINC000423343371 477001724 /nfs/dbraw/zinc/00/17/24/477001724.db2.gz WBUVVDZMZQWUBH-IBGZPJMESA-N 1 3 329.488 2.662 20 0 EFADHO CN(CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423354904 477002730 /nfs/dbraw/zinc/00/27/30/477002730.db2.gz OHRUCRPDFLPWMI-LJQANCHMSA-N 1 3 339.483 2.961 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000423351726 477003078 /nfs/dbraw/zinc/00/30/78/477003078.db2.gz IWVMGDBRDZBGQN-FUHWJXTLSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2cccs2)CC1)[C@H](C)[NH3+] ZINC000423357091 477005401 /nfs/dbraw/zinc/00/54/01/477005401.db2.gz LMCDVRLUZFIKMZ-YOEHRIQHSA-N 1 3 337.533 2.696 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000423365334 477007296 /nfs/dbraw/zinc/00/72/96/477007296.db2.gz WQJOQSOWOPQIDK-DOTOQJQBSA-N 1 3 349.544 2.855 20 0 EFADHO Cc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000423370992 477008348 /nfs/dbraw/zinc/00/83/48/477008348.db2.gz ACHPMFCZQJOUAV-GOEBONIOSA-N 1 3 329.410 2.790 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000423373488 477009266 /nfs/dbraw/zinc/00/92/66/477009266.db2.gz HPGYZHGDYYXNPW-MAUKXSAKSA-N 1 3 347.528 2.605 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000423375337 477010233 /nfs/dbraw/zinc/01/02/33/477010233.db2.gz IQFHLHYPRALIMB-MDZRGWNJSA-N 1 3 331.504 2.948 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423381590 477011919 /nfs/dbraw/zinc/01/19/19/477011919.db2.gz NTXFFBOHOFXCRV-JTDSTZFVSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000423380595 477012094 /nfs/dbraw/zinc/01/20/94/477012094.db2.gz HEOBJEIDZHOTQI-CXAGYDPISA-N 1 3 341.421 2.662 20 0 EFADHO Cc1cc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000423383558 477012328 /nfs/dbraw/zinc/01/23/28/477012328.db2.gz JNCYTAQCYKDOIK-RISCZKNCSA-N 1 3 335.439 2.852 20 0 EFADHO Cc1cc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000423383553 477012634 /nfs/dbraw/zinc/01/26/34/477012634.db2.gz JNCYTAQCYKDOIK-BXUZGUMPSA-N 1 3 335.439 2.852 20 0 EFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C)c1 ZINC000423399835 477017575 /nfs/dbraw/zinc/01/75/75/477017575.db2.gz UREIUGYLRNJWMS-HOTGVXAUSA-N 1 3 329.410 2.872 20 0 EFADHO CSCC[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447583930 477018112 /nfs/dbraw/zinc/01/81/12/477018112.db2.gz DHUFNPPYBPVBDE-CADBVGFASA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583930 477018119 /nfs/dbraw/zinc/01/81/19/477018119.db2.gz DHUFNPPYBPVBDE-CADBVGFASA-N 1 3 334.529 2.886 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C ZINC000447598573 477019936 /nfs/dbraw/zinc/01/99/36/477019936.db2.gz VRLUZPLQBOLMOE-CQSZACIVSA-N 1 3 341.883 2.533 20 0 EFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(NS(C)(=O)=O)cc1 ZINC000423405652 477021918 /nfs/dbraw/zinc/02/19/18/477021918.db2.gz YFSXYGXHRFBGPK-CYBMUJFWSA-N 1 3 345.468 2.512 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)[C@H](C)c2ccc(OC)c(OC)c2)CCCN1 ZINC000423409492 477023182 /nfs/dbraw/zinc/02/31/82/477023182.db2.gz BSVPDIAVDKJXIY-QMTMVMCOSA-N 1 3 336.476 2.554 20 0 EFADHO COC[C@H](NCC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423409953 477023678 /nfs/dbraw/zinc/02/36/78/477023678.db2.gz RDPQNULJROJHOY-HNNXBMFYSA-N 1 3 344.858 2.772 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CCCN1 ZINC000423409495 477023758 /nfs/dbraw/zinc/02/37/58/477023758.db2.gz BSVPDIAVDKJXIY-ZRGWGRIASA-N 1 3 336.476 2.554 20 0 EFADHO Cc1cc(NC(=O)[C@H](N)C2CCC2)ccc1OCC[NH+]1CCCC1 ZINC000423412996 477024916 /nfs/dbraw/zinc/02/49/16/477024916.db2.gz JEMWMOYLHGCJKG-GOSISDBHSA-N 1 3 331.460 2.536 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000423420679 477028834 /nfs/dbraw/zinc/02/88/34/477028834.db2.gz JOTADLQDKFZXNC-AESZEHBQSA-N 1 3 335.517 2.635 20 0 EFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423437250 477033826 /nfs/dbraw/zinc/03/38/26/477033826.db2.gz UFCFHJIJDPTVLR-KCZVDYSFSA-N 1 3 349.478 2.719 20 0 EFADHO CC[C@H]([NH3+])CN[C@H](C)CCc1ccc(I)cc1 ZINC000423440718 477034800 /nfs/dbraw/zinc/03/48/00/477034800.db2.gz AWWPKLBMYRYXAK-RISCZKNCSA-N 1 3 346.256 2.939 20 0 EFADHO CC[C@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423440717 477034986 /nfs/dbraw/zinc/03/49/86/477034986.db2.gz AWWPKLBMYRYXAK-FZMZJTMJSA-N 1 3 346.256 2.939 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423441516 477035510 /nfs/dbraw/zinc/03/55/10/477035510.db2.gz UNHADVQYHMTIAK-PKOBYXMFSA-N 1 3 343.515 2.903 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423441516 477035513 /nfs/dbraw/zinc/03/55/13/477035513.db2.gz UNHADVQYHMTIAK-PKOBYXMFSA-N 1 3 343.515 2.903 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423461907 477038918 /nfs/dbraw/zinc/03/89/18/477038918.db2.gz DAIVFMBCYFDNCD-VDZJLULYSA-N 1 3 349.494 2.755 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423461907 477038923 /nfs/dbraw/zinc/03/89/23/477038923.db2.gz DAIVFMBCYFDNCD-VDZJLULYSA-N 1 3 349.494 2.755 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000457480390 477041902 /nfs/dbraw/zinc/04/19/02/477041902.db2.gz KOVLNVDIKLWZEJ-GOSISDBHSA-N 1 3 348.535 2.579 20 0 EFADHO CN(C)[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000457480391 477042072 /nfs/dbraw/zinc/04/20/72/477042072.db2.gz KOVLNVDIKLWZEJ-SFHVURJKSA-N 1 3 348.535 2.579 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481436 477043296 /nfs/dbraw/zinc/04/32/96/477043296.db2.gz WOUSBYVKASMCTK-SIXWZSSISA-N 1 3 328.435 2.530 20 0 EFADHO C[C@H](Cc1cnccn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481436 477043300 /nfs/dbraw/zinc/04/33/00/477043300.db2.gz WOUSBYVKASMCTK-SIXWZSSISA-N 1 3 328.435 2.530 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416158144 477045171 /nfs/dbraw/zinc/04/51/71/477045171.db2.gz FIYIZCQROYPIIZ-IEBWSBKVSA-N 1 3 331.504 2.870 20 0 EFADHO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CNC[C@H]2c2ccccc2)CC1 ZINC000423531056 477065183 /nfs/dbraw/zinc/06/51/83/477065183.db2.gz QBHFEMPWAOXMHU-AGYKMIKPSA-N 1 3 330.472 2.844 20 0 EFADHO C[NH+](C)CC1(CNC(=O)NCCN2CCCC(C)(C)C2)CCCC1 ZINC000447829819 477069038 /nfs/dbraw/zinc/06/90/38/477069038.db2.gz HHUQRNQXLPJNMB-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1C[C@H](C)O ZINC000447839259 477071739 /nfs/dbraw/zinc/07/17/39/477071739.db2.gz ITCOWNQJHANDHB-ATOPOVMOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839259 477071722 /nfs/dbraw/zinc/07/17/22/477071722.db2.gz ITCOWNQJHANDHB-ATOPOVMOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839259 477071729 /nfs/dbraw/zinc/07/17/29/477071729.db2.gz ITCOWNQJHANDHB-ATOPOVMOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1C[C@H](C)O ZINC000447839259 477071731 /nfs/dbraw/zinc/07/17/31/477071731.db2.gz ITCOWNQJHANDHB-ATOPOVMOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839260 477072182 /nfs/dbraw/zinc/07/21/82/477072182.db2.gz ITCOWNQJHANDHB-SZUJNZKOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839260 477072187 /nfs/dbraw/zinc/07/21/87/477072187.db2.gz ITCOWNQJHANDHB-SZUJNZKOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1C[C@H](C)O ZINC000447839260 477072193 /nfs/dbraw/zinc/07/21/93/477072193.db2.gz ITCOWNQJHANDHB-SZUJNZKOSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1C[C@H](C)O ZINC000447839260 477072197 /nfs/dbraw/zinc/07/21/97/477072197.db2.gz ITCOWNQJHANDHB-SZUJNZKOSA-N 1 3 338.536 2.793 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416225127 477078625 /nfs/dbraw/zinc/07/86/25/477078625.db2.gz RSXGGCVPZGPRRZ-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO NC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000423607781 477082419 /nfs/dbraw/zinc/08/24/19/477082419.db2.gz LEOMAZAFJAVEDI-HXUWFJFHSA-N 1 3 337.467 2.830 20 0 EFADHO C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)N1CCC(C)CC1 ZINC000431777610 477093684 /nfs/dbraw/zinc/09/36/84/477093684.db2.gz ZMQWRZFPNNZXPW-MJGOQNOKSA-N 1 3 331.504 2.916 20 0 EFADHO CN(CCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)Cc1ccccc1 ZINC000447969275 477105929 /nfs/dbraw/zinc/10/59/29/477105929.db2.gz VPVQMMNYKIRDOZ-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)Cc1ccccc1 ZINC000447969275 477105935 /nfs/dbraw/zinc/10/59/35/477105935.db2.gz VPVQMMNYKIRDOZ-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000447977967 477107569 /nfs/dbraw/zinc/10/75/69/477107569.db2.gz OZHWXLALXXQPNV-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000447977967 477107576 /nfs/dbraw/zinc/10/75/76/477107576.db2.gz OZHWXLALXXQPNV-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431852648 477107664 /nfs/dbraw/zinc/10/76/64/477107664.db2.gz YNQLWCDLAGOBNT-CEXWTWQISA-N 1 3 329.488 2.765 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035544 477121690 /nfs/dbraw/zinc/12/16/90/477121690.db2.gz QWVMQDPTJWZJSO-ZWKOTPCHSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035544 477121693 /nfs/dbraw/zinc/12/16/93/477121693.db2.gz QWVMQDPTJWZJSO-ZWKOTPCHSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423715534 477121823 /nfs/dbraw/zinc/12/18/23/477121823.db2.gz UOQLKBWBEGJWFG-UHFFFAOYSA-N 1 3 344.503 2.650 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000448044302 477122949 /nfs/dbraw/zinc/12/29/49/477122949.db2.gz SWDLUABKBXNJBM-INIZCTEOSA-N 1 3 326.529 2.525 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721901 477122980 /nfs/dbraw/zinc/12/29/80/477122980.db2.gz CKSOQCGNKGZCAX-KHYOSLBOSA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721901 477122990 /nfs/dbraw/zinc/12/29/90/477122990.db2.gz CKSOQCGNKGZCAX-KHYOSLBOSA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000423720912 477123118 /nfs/dbraw/zinc/12/31/18/477123118.db2.gz BAWGKOLNXUEZTF-WTLGNFPFSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000423720912 477123125 /nfs/dbraw/zinc/12/31/25/477123125.db2.gz BAWGKOLNXUEZTF-WTLGNFPFSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423731929 477125325 /nfs/dbraw/zinc/12/53/25/477125325.db2.gz RRXWTZZQFSKFGD-UKBAYJJMSA-N 1 3 329.488 2.940 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423731929 477125332 /nfs/dbraw/zinc/12/53/32/477125332.db2.gz RRXWTZZQFSKFGD-UKBAYJJMSA-N 1 3 329.488 2.940 20 0 EFADHO CC[C@@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000423738818 477127813 /nfs/dbraw/zinc/12/78/13/477127813.db2.gz FFRLOSXAZIEQMW-NRFANRHFSA-N 1 3 343.515 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423744467 477129907 /nfs/dbraw/zinc/12/99/07/477129907.db2.gz LHUWTJCACFHIBD-ICSRJNTNSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757942 477135169 /nfs/dbraw/zinc/13/51/69/477135169.db2.gz NDLZTXBKKTVUHX-HUUCEWRRSA-N 1 3 337.895 2.748 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423768439 477137912 /nfs/dbraw/zinc/13/79/12/477137912.db2.gz XFOCEAVCDVSWCT-SFHVURJKSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000423768439 477137918 /nfs/dbraw/zinc/13/79/18/477137918.db2.gz XFOCEAVCDVSWCT-SFHVURJKSA-N 1 3 335.467 2.591 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423766280 477138144 /nfs/dbraw/zinc/13/81/44/477138144.db2.gz COFHHUUKMSNTEX-XIRDDKMYSA-N 1 3 337.895 2.967 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NC1CC([NH+]2CCCCC2)C1 ZINC000376026461 477138806 /nfs/dbraw/zinc/13/88/06/477138806.db2.gz AMEZCTXEEIMHEI-LRVUVFPRSA-N 1 3 341.297 2.641 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCCC1 ZINC000448162546 477139616 /nfs/dbraw/zinc/13/96/16/477139616.db2.gz ZKRLFFJYBZMEBX-DLBZAZTESA-N 1 3 338.540 2.526 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423772426 477140288 /nfs/dbraw/zinc/14/02/88/477140288.db2.gz KYRYLOCQMJMMKH-KSZLIROESA-N 1 3 349.906 2.695 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCCCC1 ZINC000448261562 477153396 /nfs/dbraw/zinc/15/33/96/477153396.db2.gz QIDNODHJPVDUPB-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453056016 477155004 /nfs/dbraw/zinc/15/50/04/477155004.db2.gz KKWZCYHCELDERA-VAMGGRTRSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453056016 477155011 /nfs/dbraw/zinc/15/50/11/477155011.db2.gz KKWZCYHCELDERA-VAMGGRTRSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218261 477156244 /nfs/dbraw/zinc/15/62/44/477156244.db2.gz BQNBMFZRQWENDE-LPHOPBHVSA-N 1 3 329.488 2.758 20 0 EFADHO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218261 477156252 /nfs/dbraw/zinc/15/62/52/477156252.db2.gz BQNBMFZRQWENDE-LPHOPBHVSA-N 1 3 329.488 2.758 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000376077966 477165093 /nfs/dbraw/zinc/16/50/93/477165093.db2.gz BYAILNVTQDUSFY-FCGDIQPGSA-N 1 3 348.535 2.925 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457726753 477165637 /nfs/dbraw/zinc/16/56/37/477165637.db2.gz FOVBTEVGBBKJBA-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457726753 477165644 /nfs/dbraw/zinc/16/56/44/477165644.db2.gz FOVBTEVGBBKJBA-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748794 477166256 /nfs/dbraw/zinc/16/62/56/477166256.db2.gz SLXRQCFUUJPBSF-APWZRJJASA-N 1 3 348.535 2.733 20 0 EFADHO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748794 477166264 /nfs/dbraw/zinc/16/62/64/477166264.db2.gz SLXRQCFUUJPBSF-APWZRJJASA-N 1 3 348.535 2.733 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423835376 477175422 /nfs/dbraw/zinc/17/54/22/477175422.db2.gz DLGKMXMQBFIMDJ-MOPGFXCFSA-N 1 3 344.503 2.544 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453141190 477178027 /nfs/dbraw/zinc/17/80/27/477178027.db2.gz KTBQFCYRBZQIAZ-SRHPJPHMSA-N 1 3 326.484 2.956 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453141190 477178035 /nfs/dbraw/zinc/17/80/35/477178035.db2.gz KTBQFCYRBZQIAZ-SRHPJPHMSA-N 1 3 326.484 2.956 20 0 EFADHO OCCO[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275450 477178255 /nfs/dbraw/zinc/17/82/55/477178255.db2.gz FTKQGYVMKVRARL-FQEVSTJZSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423845974 477181558 /nfs/dbraw/zinc/18/15/58/477181558.db2.gz KWURVONTTATDLW-ZTNFWEORSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000423855735 477187447 /nfs/dbraw/zinc/18/74/47/477187447.db2.gz YZQVLOSVNCTTKZ-IAGOWNOFSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423855737 477187884 /nfs/dbraw/zinc/18/78/84/477187884.db2.gz YZQVLOSVNCTTKZ-IRXDYDNUSA-N 1 3 331.504 2.649 20 0 EFADHO CN(C)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453223013 477193872 /nfs/dbraw/zinc/19/38/72/477193872.db2.gz OTNKBAFKUKVEIA-ZWKOTPCHSA-N 1 3 340.895 2.598 20 0 EFADHO O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411334281 477197043 /nfs/dbraw/zinc/19/70/43/477197043.db2.gz PNMOHTAUHWEFTQ-MOPGFXCFSA-N 1 3 327.472 2.525 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423899427 477206379 /nfs/dbraw/zinc/20/63/79/477206379.db2.gz IZFPWQHTZTXXFM-GUDVDZBRSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423899427 477206383 /nfs/dbraw/zinc/20/63/83/477206383.db2.gz IZFPWQHTZTXXFM-GUDVDZBRSA-N 1 3 343.515 2.873 20 0 EFADHO COCCN1CC[C@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000453338438 477208714 /nfs/dbraw/zinc/20/87/14/477208714.db2.gz BOVVRTXKYAEORV-KRWDZBQOSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000371274526 477211195 /nfs/dbraw/zinc/21/11/95/477211195.db2.gz WCYJOGFJOZKOIS-ROUUACIJSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910080 477213794 /nfs/dbraw/zinc/21/37/94/477213794.db2.gz UOLHKQNZGOOEAC-YTQUADARSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910080 477213800 /nfs/dbraw/zinc/21/38/00/477213800.db2.gz UOLHKQNZGOOEAC-YTQUADARSA-N 1 3 329.488 2.545 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453371532 477216228 /nfs/dbraw/zinc/21/62/28/477216228.db2.gz NOCZNHPZIBMZAK-JCHJZTRSSA-N 1 3 329.488 2.544 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453371532 477216235 /nfs/dbraw/zinc/21/62/35/477216235.db2.gz NOCZNHPZIBMZAK-JCHJZTRSSA-N 1 3 329.488 2.544 20 0 EFADHO COCC1(O)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411406095 477221847 /nfs/dbraw/zinc/22/18/47/477221847.db2.gz BGPWEVUPKPWXAM-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)cn1 ZINC000453400442 477223274 /nfs/dbraw/zinc/22/32/74/477223274.db2.gz MHEQJGOCVCJKHS-INIZCTEOSA-N 1 3 328.460 2.619 20 0 EFADHO [NH3+]C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000423936470 477225257 /nfs/dbraw/zinc/22/52/57/477225257.db2.gz CKQUBADZOAWTEZ-LJQANCHMSA-N 1 3 329.488 2.532 20 0 EFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423949676 477229343 /nfs/dbraw/zinc/22/93/43/477229343.db2.gz XRWVTXCPGKTPAV-LJQANCHMSA-N 1 3 325.456 2.740 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366873451 477233771 /nfs/dbraw/zinc/23/37/71/477233771.db2.gz ZJNAFRQSJPUSJA-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccc([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411436284 477234330 /nfs/dbraw/zinc/23/43/30/477234330.db2.gz GXYFJHSPANLINF-MRXNPFEDSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366881541 477238557 /nfs/dbraw/zinc/23/85/57/477238557.db2.gz JSKDBYCAGAMPOE-QGZVFWFLSA-N 1 3 341.499 2.772 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1)C1CC1 ZINC000423970711 477238581 /nfs/dbraw/zinc/23/85/81/477238581.db2.gz XITMRINQYAXQPM-LJQANCHMSA-N 1 3 329.488 2.918 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2C)C(C)C)CC1 ZINC000411456569 477241810 /nfs/dbraw/zinc/24/18/10/477241810.db2.gz GOOKZUJMFDZRLM-FQEVSTJZSA-N 1 3 331.504 2.882 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423978846 477243269 /nfs/dbraw/zinc/24/32/69/477243269.db2.gz QWXMJEHPPLDLGK-UXHICEINSA-N 1 3 341.499 2.887 20 0 EFADHO Cc1cccc(C(C)(C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411467529 477246417 /nfs/dbraw/zinc/24/64/17/477246417.db2.gz AYXKJVKKRHRQDE-UHFFFAOYSA-N 1 3 331.504 2.809 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C(C)(C)c1ccccc1 ZINC000411479397 477249455 /nfs/dbraw/zinc/24/94/55/477249455.db2.gz MAZLYFSSIFATHP-IBGZPJMESA-N 1 3 345.531 2.933 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2C)C2CC2)CC1 ZINC000411484271 477252396 /nfs/dbraw/zinc/25/23/96/477252396.db2.gz DOKNRJSSXHBXGO-HXUWFJFHSA-N 1 3 329.488 2.636 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2C)C2CC2)CC1 ZINC000411484269 477252802 /nfs/dbraw/zinc/25/28/02/477252802.db2.gz DOKNRJSSXHBXGO-FQEVSTJZSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1C[NH3+] ZINC000424003420 477256058 /nfs/dbraw/zinc/25/60/58/477256058.db2.gz RDQOPFPYVCLZCU-KBPBESRZSA-N 1 3 329.444 2.551 20 0 EFADHO C[C@H]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000453623625 477257623 /nfs/dbraw/zinc/25/76/23/477257623.db2.gz BTTQRCWDUASGEK-QFBILLFUSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376274347 477262324 /nfs/dbraw/zinc/26/23/24/477262324.db2.gz LDZQZANAUMFEEK-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000457939856 477264950 /nfs/dbraw/zinc/26/49/50/477264950.db2.gz FSJMUTWVBGCPCM-ZHALLVOQSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000457939859 477265969 /nfs/dbraw/zinc/26/59/69/477265969.db2.gz FSJMUTWVBGCPCM-ZIFCJYIRSA-N 1 3 338.540 2.621 20 0 EFADHO CCN1CCN(c2ccccc2CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000432798386 477269818 /nfs/dbraw/zinc/26/98/18/477269818.db2.gz OZFYMICLZIFUFH-HXUWFJFHSA-N 1 3 344.547 2.745 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H](N)c1ccccc1 ZINC000424045422 477271718 /nfs/dbraw/zinc/27/17/18/477271718.db2.gz UDQZVHXRJGVUTP-QZTJIDSGSA-N 1 3 343.515 2.949 20 0 EFADHO CCO[C@@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411560982 477276397 /nfs/dbraw/zinc/27/63/97/477276397.db2.gz QDARHTRGKPFGHK-WOJBJXKFSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000454260884 477283145 /nfs/dbraw/zinc/28/31/45/477283145.db2.gz GYZOACSKEXLLKB-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000454260884 477283153 /nfs/dbraw/zinc/28/31/53/477283153.db2.gz GYZOACSKEXLLKB-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000458161340 477296223 /nfs/dbraw/zinc/29/62/23/477296223.db2.gz XLPLMRJHHAIOMA-LJQANCHMSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C(C)C)C2)c1 ZINC000458161340 477296228 /nfs/dbraw/zinc/29/62/28/477296228.db2.gz XLPLMRJHHAIOMA-LJQANCHMSA-N 1 3 346.519 2.762 20 0 EFADHO C[C@@H]1C[N@H+](CCc2ccccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000367028711 477304771 /nfs/dbraw/zinc/30/47/71/477304771.db2.gz KAOWOXFPKQPTKY-VQIMIIECSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1C[N@@H+](CCc2ccccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000367028711 477304778 /nfs/dbraw/zinc/30/47/78/477304778.db2.gz KAOWOXFPKQPTKY-VQIMIIECSA-N 1 3 335.923 2.840 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783896 477309584 /nfs/dbraw/zinc/30/95/84/477309584.db2.gz ICMGIEVPZSSSRT-OTWHNJEPSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416785554 477310006 /nfs/dbraw/zinc/31/00/06/477310006.db2.gz LCXIICHHOJUISZ-FUHWJXTLSA-N 1 3 332.492 2.640 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416791714 477312471 /nfs/dbraw/zinc/31/24/71/477312471.db2.gz XDKAEYSSOHPBDQ-ROUUACIJSA-N 1 3 332.492 2.640 20 0 EFADHO CN(C)[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000416805135 477316247 /nfs/dbraw/zinc/31/62/47/477316247.db2.gz KNBNLANKVIADSZ-LJQANCHMSA-N 1 3 346.519 2.840 20 0 EFADHO CC(CCN1CCO[C@H]2CCC[C@H]21)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000411666209 477317586 /nfs/dbraw/zinc/31/75/86/477317586.db2.gz BPYHJMSLYLSFNX-ZRNYENFQSA-N 1 3 336.520 2.909 20 0 EFADHO CC(CCN1CCO[C@H]2CCC[C@H]21)CC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000411666209 477317591 /nfs/dbraw/zinc/31/75/91/477317591.db2.gz BPYHJMSLYLSFNX-ZRNYENFQSA-N 1 3 336.520 2.909 20 0 EFADHO NC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433513058 477323645 /nfs/dbraw/zinc/32/36/45/477323645.db2.gz YGSUDMZTIQXMEF-CQSZACIVSA-N 1 3 340.265 2.591 20 0 EFADHO NC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433513058 477323650 /nfs/dbraw/zinc/32/36/50/477323650.db2.gz YGSUDMZTIQXMEF-CQSZACIVSA-N 1 3 340.265 2.591 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433566804 477324300 /nfs/dbraw/zinc/32/43/00/477324300.db2.gz WYZSDPXFQRTXTQ-QGZVFWFLSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)(CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCCCC1 ZINC000416824206 477325201 /nfs/dbraw/zinc/32/52/01/477325201.db2.gz IEQWVBQASQHHMH-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO COC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411683550 477326661 /nfs/dbraw/zinc/32/66/61/477326661.db2.gz ZMLYTEWCOCZXGC-VQTJNVASSA-N 1 3 332.488 2.956 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000416836512 477329582 /nfs/dbraw/zinc/32/95/82/477329582.db2.gz GKTABNUARXHAPP-QXAKKESOSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC000433958421 477329703 /nfs/dbraw/zinc/32/97/03/477329703.db2.gz OGZIKDZMMGEOJS-ZWKOTPCHSA-N 1 3 334.508 2.976 20 0 EFADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc(CN2CCCCC2)c1 ZINC000411691808 477330550 /nfs/dbraw/zinc/33/05/50/477330550.db2.gz IQIJQBSAPVAFDZ-ALGQRKQJSA-N 1 3 326.484 2.874 20 0 EFADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cccc(CN2CCCCC2)c1 ZINC000411691808 477330558 /nfs/dbraw/zinc/33/05/58/477330558.db2.gz IQIJQBSAPVAFDZ-ALGQRKQJSA-N 1 3 326.484 2.874 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416837299 477331522 /nfs/dbraw/zinc/33/15/22/477331522.db2.gz WXFBPSXIMBWKSB-GOSISDBHSA-N 1 3 346.519 2.813 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000416841404 477331850 /nfs/dbraw/zinc/33/18/50/477331850.db2.gz LYMVEFRBPCWLOM-APWZRJJASA-N 1 3 346.519 2.838 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217445 477333430 /nfs/dbraw/zinc/33/34/30/477333430.db2.gz LMRHLHXSJSLSND-LWYYNNOASA-N 1 3 341.499 2.627 20 0 EFADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416842988 477333457 /nfs/dbraw/zinc/33/34/57/477333457.db2.gz OBSRALGHOZIVDZ-HUUCEWRRSA-N 1 3 338.521 2.510 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000416844185 477334088 /nfs/dbraw/zinc/33/40/88/477334088.db2.gz PRAJOVRISFZUQU-SNRMKQJTSA-N 1 3 346.519 2.621 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416847297 477334846 /nfs/dbraw/zinc/33/48/46/477334846.db2.gz VGRSANLUJXAHCR-HUUCEWRRSA-N 1 3 338.521 2.702 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000416846587 477334990 /nfs/dbraw/zinc/33/49/90/477334990.db2.gz ULIYWUQBKGTQEP-QZTJIDSGSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849279 477336428 /nfs/dbraw/zinc/33/64/28/477336428.db2.gz XTYPNNXTQHHKLH-CABCVRRESA-N 1 3 338.521 2.558 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC([NH3+])(CC)CC)N(C)C)cc1 ZINC000416848881 477336789 /nfs/dbraw/zinc/33/67/89/477336789.db2.gz XHOLDFZNNGIUSK-QGZVFWFLSA-N 1 3 334.508 2.668 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000416848408 477336818 /nfs/dbraw/zinc/33/68/18/477336818.db2.gz WNQXIMJDYBCZKU-KRWDZBQOSA-N 1 3 332.492 2.511 20 0 EFADHO C[C@@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416853390 477338403 /nfs/dbraw/zinc/33/84/03/477338403.db2.gz UGXKFUBFEQNJFM-GJZGRUSLSA-N 1 3 338.521 2.558 20 0 EFADHO C[C@@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416853392 477338608 /nfs/dbraw/zinc/33/86/08/477338608.db2.gz UGXKFUBFEQNJFM-LSDHHAIUSA-N 1 3 338.521 2.558 20 0 EFADHO OC1CC[NH+](CCCN[C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424270468 477350270 /nfs/dbraw/zinc/35/02/70/477350270.db2.gz QMVVUXVQFCGZIR-GOSISDBHSA-N 1 3 345.512 2.863 20 0 EFADHO C[C@@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000416884861 477353601 /nfs/dbraw/zinc/35/36/01/477353601.db2.gz DOOZVUHVMSYHSJ-IRXDYDNUSA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285575 477355024 /nfs/dbraw/zinc/35/50/24/477355024.db2.gz FXCVTHVWQBRAGO-XLIONFOSSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289047 477357718 /nfs/dbraw/zinc/35/77/18/477357718.db2.gz LIKTWFQLXLBYNK-MSOLQXFVSA-N 1 3 343.515 2.506 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)N1c3ccccc3CC[C@H]1C)CC[NH2+]CC2 ZINC000424302515 477363055 /nfs/dbraw/zinc/36/30/55/477363055.db2.gz ZRRCXUJYRWPVLY-SJORKVTESA-N 1 3 341.499 2.818 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1c3ccccc3CC[C@@H]1C)CC[NH2+]CC2 ZINC000424302508 477363809 /nfs/dbraw/zinc/36/38/09/477363809.db2.gz ZRRCXUJYRWPVLY-DLBZAZTESA-N 1 3 341.499 2.818 20 0 EFADHO CSc1cccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424301502 477363867 /nfs/dbraw/zinc/36/38/67/477363867.db2.gz XKQPBEXZPDWRDK-AWEZNQCLSA-N 1 3 333.501 2.811 20 0 EFADHO [NH3+]C[C@@H](CN1CCNC[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000424305486 477364956 /nfs/dbraw/zinc/36/49/56/477364956.db2.gz SLOAVJPMSZVLCW-QFBILLFUSA-N 1 3 331.410 2.654 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CCNC(=O)CCCc2ccccc2)CC1 ZINC000424327037 477371571 /nfs/dbraw/zinc/37/15/71/477371571.db2.gz NYCRLVPMFCCDDW-UHFFFAOYSA-N 1 3 345.531 2.978 20 0 EFADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000424370401 477381858 /nfs/dbraw/zinc/38/18/58/477381858.db2.gz DTEPZEGBNUEBFU-VAMGGRTRSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000416972131 477397192 /nfs/dbraw/zinc/39/71/92/477397192.db2.gz HYAOFUXTUVBBPX-UHFFFAOYSA-N 1 3 344.503 2.529 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000424434955 477405596 /nfs/dbraw/zinc/40/55/96/477405596.db2.gz HREOAJDQCLRNRK-UHFFFAOYSA-N 1 3 326.444 2.837 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000424438509 477407877 /nfs/dbraw/zinc/40/78/77/477407877.db2.gz PVWJJASSISAWLL-UHFFFAOYSA-N 1 3 330.432 2.642 20 0 EFADHO Cc1ccc(SCCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000436054616 477412377 /nfs/dbraw/zinc/41/23/77/477412377.db2.gz HXBSXQWVOUZNTH-QGZVFWFLSA-N 1 3 349.544 2.715 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376577887 477412938 /nfs/dbraw/zinc/41/29/38/477412938.db2.gz GBVQSJOAPSPGRP-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376577887 477412947 /nfs/dbraw/zinc/41/29/47/477412947.db2.gz GBVQSJOAPSPGRP-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC000417003303 477417398 /nfs/dbraw/zinc/41/73/98/477417398.db2.gz HAXOQGVMFNSIOP-CVEARBPZSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccsc1 ZINC000417007131 477419394 /nfs/dbraw/zinc/41/93/94/477419394.db2.gz KQSUWCJYIJPVGB-WBVHZDCISA-N 1 3 338.521 2.511 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC[C@@H](C)C1 ZINC000417008217 477419713 /nfs/dbraw/zinc/41/97/13/477419713.db2.gz IKYIJEDXKPRWJS-QZTJIDSGSA-N 1 3 346.519 2.667 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccsc1 ZINC000417011315 477421036 /nfs/dbraw/zinc/42/10/36/477421036.db2.gz RMCGPSKZLBYCGF-SQWLQELKSA-N 1 3 338.521 2.510 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccsc1 ZINC000417011314 477421184 /nfs/dbraw/zinc/42/11/84/477421184.db2.gz RMCGPSKZLBYCGF-OFQRWUPVSA-N 1 3 338.521 2.510 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CSC[C@@H]3C)cc2)CC1 ZINC000449080916 477427899 /nfs/dbraw/zinc/42/78/99/477427899.db2.gz AGSSVAXVEQXOGW-QFBILLFUSA-N 1 3 333.545 2.665 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417031989 477433493 /nfs/dbraw/zinc/43/34/93/477433493.db2.gz QLYZEMRKVFFDHD-AEFFLSMTSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417051464 477441573 /nfs/dbraw/zinc/44/15/73/477441573.db2.gz ZVVSOYXJWCXFHH-MRXNPFEDSA-N 1 3 344.503 2.744 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417051464 477441577 /nfs/dbraw/zinc/44/15/77/477441577.db2.gz ZVVSOYXJWCXFHH-MRXNPFEDSA-N 1 3 344.503 2.744 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000436253678 477449233 /nfs/dbraw/zinc/44/92/33/477449233.db2.gz QJSMZRDVHHYKSO-OAGGEKHMSA-N 1 3 333.476 2.827 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000458507325 477455814 /nfs/dbraw/zinc/45/58/14/477455814.db2.gz OAGYQBYHDUSJOO-KRWDZBQOSA-N 1 3 326.529 2.619 20 0 EFADHO CN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418377361 477472890 /nfs/dbraw/zinc/47/28/90/477472890.db2.gz BLILTPVOPYTBCA-CTWPCTMYSA-N 1 3 344.503 2.562 20 0 EFADHO CCn1nnc(C)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449179704 477473123 /nfs/dbraw/zinc/47/31/23/477473123.db2.gz WMFJGUSAHYYVFP-CRAIPNDOSA-N 1 3 327.476 2.749 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000418437965 477475356 /nfs/dbraw/zinc/47/53/56/477475356.db2.gz DHYUXPGEEQOVSS-GOSISDBHSA-N 1 3 336.524 2.569 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418438390 477475829 /nfs/dbraw/zinc/47/58/29/477475829.db2.gz XWBOFXPJNRMCRY-MSOLQXFVSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000418505037 477476427 /nfs/dbraw/zinc/47/64/27/477476427.db2.gz BTOLCAZKCRESEV-SJLPKXTDSA-N 1 3 344.503 2.562 20 0 EFADHO CCCN(C(=O)N[C@@H](C)CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418527962 477477849 /nfs/dbraw/zinc/47/78/49/477477849.db2.gz OPJODJBLAOSUMK-HKUYNNGSSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000367382044 477483337 /nfs/dbraw/zinc/48/33/37/477483337.db2.gz OLFFQADKSZCDEI-NVXWUHKLSA-N 1 3 337.508 2.874 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN(C2CC2)C1 ZINC000418677536 477483318 /nfs/dbraw/zinc/48/33/18/477483318.db2.gz RXHZVINKOIAZRK-QFBILLFUSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1=CCN(C)CC1 ZINC000367382043 477483841 /nfs/dbraw/zinc/48/38/41/477483841.db2.gz OLFFQADKSZCDEI-DOTOQJQBSA-N 1 3 337.508 2.874 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000449221576 477494625 /nfs/dbraw/zinc/49/46/25/477494625.db2.gz UDIXIUUPDPGXNO-QGZVFWFLSA-N 1 3 348.487 2.586 20 0 EFADHO COc1cc2nccc(NC[C@@]3([NH+](C)C)CCSC3)c2cc1OC ZINC000413169485 477551178 /nfs/dbraw/zinc/55/11/78/477551178.db2.gz KZGRIMFDJSOICF-SFHVURJKSA-N 1 3 347.484 2.523 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccc(F)cc2)n1 ZINC000449341308 477557046 /nfs/dbraw/zinc/55/70/46/477557046.db2.gz SYJKJCSNMJPWSR-IBGZPJMESA-N 1 3 328.435 2.754 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c(-c2ccc(F)cc2)n1 ZINC000449341308 477557050 /nfs/dbraw/zinc/55/70/50/477557050.db2.gz SYJKJCSNMJPWSR-IBGZPJMESA-N 1 3 328.435 2.754 20 0 EFADHO COc1cc2nccc(N[C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000413182432 477558182 /nfs/dbraw/zinc/55/81/82/477558182.db2.gz GNJJDHHUVKTCCA-OLZOCXBDSA-N 1 3 327.428 2.711 20 0 EFADHO COc1cc2nccc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000413182432 477558189 /nfs/dbraw/zinc/55/81/89/477558189.db2.gz GNJJDHHUVKTCCA-OLZOCXBDSA-N 1 3 327.428 2.711 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458739559 477568195 /nfs/dbraw/zinc/56/81/95/477568195.db2.gz LLXHYOJVYSMRSA-OAHLLOKOSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000458788413 477597592 /nfs/dbraw/zinc/59/75/92/477597592.db2.gz YESADCOOFNBFTC-JENIJYKNSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000458788413 477597595 /nfs/dbraw/zinc/59/75/95/477597595.db2.gz YESADCOOFNBFTC-JENIJYKNSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)Oc1ccc2nccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000450469829 477598573 /nfs/dbraw/zinc/59/85/73/477598573.db2.gz HULBMZIJZLYRLR-UHFFFAOYSA-N 1 3 329.444 2.578 20 0 EFADHO CC(C)Oc1ccc2nccc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000450469829 477598582 /nfs/dbraw/zinc/59/85/82/477598582.db2.gz HULBMZIJZLYRLR-UHFFFAOYSA-N 1 3 329.444 2.578 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)CC(C)C ZINC000367614174 477600999 /nfs/dbraw/zinc/60/09/99/477600999.db2.gz HOXLRJKOWMKMOG-YLFCFFPRSA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CC(C)C ZINC000367614174 477601005 /nfs/dbraw/zinc/60/10/05/477601005.db2.gz HOXLRJKOWMKMOG-YLFCFFPRSA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)CC(C)C ZINC000367614171 477601096 /nfs/dbraw/zinc/60/10/96/477601096.db2.gz HOXLRJKOWMKMOG-HZMVEIRTSA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CC(C)C ZINC000367614171 477601106 /nfs/dbraw/zinc/60/11/06/477601106.db2.gz HOXLRJKOWMKMOG-HZMVEIRTSA-N 1 3 325.497 2.610 20 0 EFADHO NCc1cc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc(C(F)(F)F)c1 ZINC000367647556 477618942 /nfs/dbraw/zinc/61/89/42/477618942.db2.gz BOUGNWPUFPPSIK-BLLLJJGKSA-N 1 3 341.377 2.882 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000458939301 477667723 /nfs/dbraw/zinc/66/77/23/477667723.db2.gz PZCBXWQAYFRTGO-SFHVURJKSA-N 1 3 338.540 2.669 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000420304933 477677017 /nfs/dbraw/zinc/67/70/17/477677017.db2.gz OZDFSYBBIZMLDL-SFTDATJTSA-N 1 3 346.515 2.589 20 0 EFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304970 477677126 /nfs/dbraw/zinc/67/71/26/477677126.db2.gz PBFOYOHPDFYMRS-KYPFXXDHSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304970 477677133 /nfs/dbraw/zinc/67/71/33/477677133.db2.gz PBFOYOHPDFYMRS-KYPFXXDHSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304970 477677136 /nfs/dbraw/zinc/67/71/36/477677136.db2.gz PBFOYOHPDFYMRS-KYPFXXDHSA-N 1 3 342.458 2.934 20 0 EFADHO FC(F)(F)c1cccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420308502 477679566 /nfs/dbraw/zinc/67/95/66/477679566.db2.gz SHXOJQMPZKLMNE-HNNXBMFYSA-N 1 3 341.421 2.823 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307649 477680234 /nfs/dbraw/zinc/68/02/34/477680234.db2.gz BWYYVJLNUNDFKM-SJLPKXTDSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307649 477680236 /nfs/dbraw/zinc/68/02/36/477680236.db2.gz BWYYVJLNUNDFKM-SJLPKXTDSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307649 477680238 /nfs/dbraw/zinc/68/02/38/477680238.db2.gz BWYYVJLNUNDFKM-SJLPKXTDSA-N 1 3 340.471 2.567 20 0 EFADHO Fc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000420308591 477680244 /nfs/dbraw/zinc/68/02/44/477680244.db2.gz CVFUVLHXOSLNBP-OAHLLOKOSA-N 1 3 339.886 2.986 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000420309964 477681442 /nfs/dbraw/zinc/68/14/42/477681442.db2.gz UOVNHDXZTRXFJM-SFTDATJTSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000420309964 477681449 /nfs/dbraw/zinc/68/14/49/477681449.db2.gz UOVNHDXZTRXFJM-SFTDATJTSA-N 1 3 342.458 2.764 20 0 EFADHO CCO[C@H]1C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312434 477683165 /nfs/dbraw/zinc/68/31/65/477683165.db2.gz WZICQNHASITIGX-HAGHYFMRSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312434 477683168 /nfs/dbraw/zinc/68/31/68/477683168.db2.gz WZICQNHASITIGX-HAGHYFMRSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@H]1C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C12CCCC2 ZINC000420312434 477683175 /nfs/dbraw/zinc/68/31/75/477683175.db2.gz WZICQNHASITIGX-HAGHYFMRSA-N 1 3 346.515 2.587 20 0 EFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425423716 477683315 /nfs/dbraw/zinc/68/33/15/477683315.db2.gz RBNKHOYDMUFDLE-GOSISDBHSA-N 1 3 344.503 2.629 20 0 EFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425423716 477683321 /nfs/dbraw/zinc/68/33/21/477683321.db2.gz RBNKHOYDMUFDLE-GOSISDBHSA-N 1 3 344.503 2.629 20 0 EFADHO CC[C@H](C)N(CC[C@@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420317122 477688660 /nfs/dbraw/zinc/68/86/60/477688660.db2.gz NFPDDMFHIYABNL-GJZGRUSLSA-N 1 3 328.460 2.936 20 0 EFADHO COc1ccc(-c2noc([C@H](C)N3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000420317732 477688706 /nfs/dbraw/zinc/68/87/06/477688706.db2.gz ZVXHYCWKUKFHQR-AWEZNQCLSA-N 1 3 342.443 2.882 20 0 EFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420317974 477689171 /nfs/dbraw/zinc/68/91/71/477689171.db2.gz NNARWABFOUMODK-KXBFYZLASA-N 1 3 330.451 2.970 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCCC1CCCCC1 ZINC000420325093 477694137 /nfs/dbraw/zinc/69/41/37/477694137.db2.gz HZHUDZHUTNDEHR-RTBURBONSA-N 1 3 335.536 2.785 20 0 EFADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323926 477695105 /nfs/dbraw/zinc/69/51/05/477695105.db2.gz AFMNGTGMPSWSKO-UXLLHSPISA-N 1 3 347.528 2.515 20 0 EFADHO O=C([C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCCCC1 ZINC000420329380 477698864 /nfs/dbraw/zinc/69/88/64/477698864.db2.gz GOBAHWQTIFCIFM-ZCNNSNEGSA-N 1 3 341.499 2.672 20 0 EFADHO O=C([C@@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCCCC1 ZINC000420329379 477698886 /nfs/dbraw/zinc/69/88/86/477698886.db2.gz GOBAHWQTIFCIFM-HSALFYBXSA-N 1 3 341.499 2.672 20 0 EFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337923 477707247 /nfs/dbraw/zinc/70/72/47/477707247.db2.gz KHQQKKCNUFBEME-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420338844 477708137 /nfs/dbraw/zinc/70/81/37/477708137.db2.gz YCWNTGXWZDUDLK-JTDSTZFVSA-N 1 3 345.462 2.643 20 0 EFADHO COC(=O)c1cc2cc(CN3CCC4(CC[NH2+]C4)CC3)ccc2o1 ZINC000420338732 477708320 /nfs/dbraw/zinc/70/83/20/477708320.db2.gz NUEQPZNHRLDCPM-UHFFFAOYSA-N 1 3 328.412 2.795 20 0 EFADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340024 477709560 /nfs/dbraw/zinc/70/95/60/477709560.db2.gz MJZKWIPCWASPAA-BHIYHBOVSA-N 1 3 341.499 2.676 20 0 EFADHO O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000420341316 477711096 /nfs/dbraw/zinc/71/10/96/477711096.db2.gz UPUNRRRLONRXFM-FQEVSTJZSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341192 477711269 /nfs/dbraw/zinc/71/12/69/477711269.db2.gz OBGUTEBQANIJIP-PMACEKPBSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345439 477713124 /nfs/dbraw/zinc/71/31/24/477713124.db2.gz VKBWEUJTKWGAJM-BGYRXZFFSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345802 477714048 /nfs/dbraw/zinc/71/40/48/477714048.db2.gz WRRJNHHMQAAHJH-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420345942 477714087 /nfs/dbraw/zinc/71/40/87/477714087.db2.gz VZVPESMBSSRFSF-KDURUIRLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346969 477714709 /nfs/dbraw/zinc/71/47/09/477714709.db2.gz ZPBKUBGZYNMHPF-HLLBOEOZSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346666 477715655 /nfs/dbraw/zinc/71/56/55/477715655.db2.gz XCSRZMBVOJZLLB-OIISXLGYSA-N 1 3 349.906 2.791 20 0 EFADHO c1ccc(Oc2ccccc2CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350635 477716948 /nfs/dbraw/zinc/71/69/48/477716948.db2.gz UHGDYRYGSXCFSL-IBGZPJMESA-N 1 3 337.467 2.958 20 0 EFADHO Cc1cc2c(ncnc2N2CCN(CCC3CC[NH2+]CC3)CC2)s1 ZINC000420363050 477720696 /nfs/dbraw/zinc/72/06/96/477720696.db2.gz BBZYZEVJWPVRGU-UHFFFAOYSA-N 1 3 345.516 2.511 20 0 EFADHO CCOc1ccccc1NC(=O)CCN[C@H](C[NH3+])C1CCCCC1 ZINC000420361608 477721074 /nfs/dbraw/zinc/72/10/74/477721074.db2.gz IDEMWHRVALIEQW-QGZVFWFLSA-N 1 3 333.476 2.911 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C3CCCCC3)CC2)cc1 ZINC000420364373 477723413 /nfs/dbraw/zinc/72/34/13/477723413.db2.gz QQMMUTCVXKPBFE-SFHVURJKSA-N 1 3 331.504 2.688 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420380015 477735393 /nfs/dbraw/zinc/73/53/93/477735393.db2.gz BKGYXOAJGMEGEP-FXAWDEMLSA-N 1 3 348.487 2.682 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420380086 477735841 /nfs/dbraw/zinc/73/58/41/477735841.db2.gz BTHWJXWQWGDOIR-FXAWDEMLSA-N 1 3 348.487 2.682 20 0 EFADHO CCc1cccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420389506 477740609 /nfs/dbraw/zinc/74/06/09/477740609.db2.gz MEHFDPPPUFTGBN-ICSRJNTNSA-N 1 3 332.488 2.846 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000420395223 477745366 /nfs/dbraw/zinc/74/53/66/477745366.db2.gz DECSOSGWOJVRHQ-OGWOLHLISA-N 1 3 326.440 2.892 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN[C@@H](C)[C@@H]2COc3ccccc32)cc1 ZINC000420395221 477745873 /nfs/dbraw/zinc/74/58/73/477745873.db2.gz DECSOSGWOJVRHQ-GMBSWORKSA-N 1 3 326.440 2.892 20 0 EFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000420399835 477749183 /nfs/dbraw/zinc/74/91/83/477749183.db2.gz IGHXWNVAFUSHDL-VXGBXAGGSA-N 1 3 327.831 2.724 20 0 EFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@H]1C[NH3+] ZINC000420399833 477749495 /nfs/dbraw/zinc/74/94/95/477749495.db2.gz IGHXWNVAFUSHDL-NWDGAFQWSA-N 1 3 327.831 2.724 20 0 EFADHO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CCN(C2CCC2)C1 ZINC000459109845 477750110 /nfs/dbraw/zinc/75/01/10/477750110.db2.gz PZYNNPIWDQYAAA-MRXNPFEDSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCN1C ZINC000437782913 477752727 /nfs/dbraw/zinc/75/27/27/477752727.db2.gz GWZJAUDPQMJXMV-KBAYOESNSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCN1C ZINC000437782913 477752730 /nfs/dbraw/zinc/75/27/30/477752730.db2.gz GWZJAUDPQMJXMV-KBAYOESNSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791194 477754716 /nfs/dbraw/zinc/75/47/16/477754716.db2.gz YSNFPBUYFUZIIV-MDZRGWNJSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791194 477754726 /nfs/dbraw/zinc/75/47/26/477754726.db2.gz YSNFPBUYFUZIIV-MDZRGWNJSA-N 1 3 348.535 2.708 20 0 EFADHO CN(C)CC1(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCC1 ZINC000455856667 477767643 /nfs/dbraw/zinc/76/76/43/477767643.db2.gz NYXWJPDVHUNNPC-QGZVFWFLSA-N 1 3 330.476 2.841 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCN1C ZINC000455865211 477769751 /nfs/dbraw/zinc/76/97/51/477769751.db2.gz UIPOPMBCQMFIGR-FSPWUOQZSA-N 1 3 330.476 2.840 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000427265880 477771138 /nfs/dbraw/zinc/77/11/38/477771138.db2.gz PSGSWXVHCZUCFX-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1C ZINC000455914251 477783733 /nfs/dbraw/zinc/78/37/33/477783733.db2.gz JXJXYNVATJPWGB-SKDZVZGDSA-N 1 3 330.476 2.840 20 0 EFADHO CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942145 477788247 /nfs/dbraw/zinc/78/82/47/477788247.db2.gz UPBGELKBBHIQAA-SJLPKXTDSA-N 1 3 330.476 2.841 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000368461563 477807750 /nfs/dbraw/zinc/80/77/50/477807750.db2.gz JHIUVBVYMVXVAQ-WMZOPIPTSA-N 1 3 325.566 2.665 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438273440 477815617 /nfs/dbraw/zinc/81/56/17/477815617.db2.gz RKMDPNAXGHAJKQ-MSOLQXFVSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438273440 477815623 /nfs/dbraw/zinc/81/56/23/477815623.db2.gz RKMDPNAXGHAJKQ-MSOLQXFVSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H](N)c1ccccc1 ZINC000515402717 477818952 /nfs/dbraw/zinc/81/89/52/477818952.db2.gz RNJUAYGZZIGFOL-MLGOLLRUSA-N 1 3 344.484 2.885 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438329094 477827002 /nfs/dbraw/zinc/82/70/02/477827002.db2.gz PJFKVJYSROWDSF-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438329094 477827006 /nfs/dbraw/zinc/82/70/06/477827006.db2.gz PJFKVJYSROWDSF-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000515483287 477830284 /nfs/dbraw/zinc/83/02/84/477830284.db2.gz HLNPTHKEJUUDIS-SLFFLAALSA-N 1 3 339.487 2.727 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936411 477834479 /nfs/dbraw/zinc/83/44/79/477834479.db2.gz MVZYTESYOKZCNO-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936411 477834483 /nfs/dbraw/zinc/83/44/83/477834483.db2.gz MVZYTESYOKZCNO-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936411 477834492 /nfs/dbraw/zinc/83/44/92/477834492.db2.gz MVZYTESYOKZCNO-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936411 477834497 /nfs/dbraw/zinc/83/44/97/477834497.db2.gz MVZYTESYOKZCNO-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CC(C)CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccoc1 ZINC000428232692 477848294 /nfs/dbraw/zinc/84/82/94/477848294.db2.gz VPPAIHHZOUDCSD-AEFFLSMTSA-N 1 3 335.492 2.934 20 0 EFADHO C[C@H]1C[N@H+](CCc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000459333090 477850175 /nfs/dbraw/zinc/85/01/75/477850175.db2.gz AKYBJYUQMJGSHK-QFBILLFUSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000459333090 477850179 /nfs/dbraw/zinc/85/01/79/477850179.db2.gz AKYBJYUQMJGSHK-QFBILLFUSA-N 1 3 335.923 2.840 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000493836676 477852168 /nfs/dbraw/zinc/85/21/68/477852168.db2.gz RFLMQAUZGZPWNS-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000493836676 477852179 /nfs/dbraw/zinc/85/21/79/477852179.db2.gz RFLMQAUZGZPWNS-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438551546 477862013 /nfs/dbraw/zinc/86/20/13/477862013.db2.gz FCYYZTBAMXHAJO-SCTDSRPQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438551546 477862019 /nfs/dbraw/zinc/86/20/19/477862019.db2.gz FCYYZTBAMXHAJO-SCTDSRPQSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000460540043 477862154 /nfs/dbraw/zinc/86/21/54/477862154.db2.gz QXIFHIFERKOTLC-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000515837884 477865608 /nfs/dbraw/zinc/86/56/08/477865608.db2.gz HFRVJRVNUQJOJU-HKUYNNGSSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000515837884 477865616 /nfs/dbraw/zinc/86/56/16/477865616.db2.gz HFRVJRVNUQJOJU-HKUYNNGSSA-N 1 3 331.504 2.717 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000461008582 477871929 /nfs/dbraw/zinc/87/19/29/477871929.db2.gz SDYRCMMHLYTCKI-PMPSAXMXSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000461008582 477871938 /nfs/dbraw/zinc/87/19/38/477871938.db2.gz SDYRCMMHLYTCKI-PMPSAXMXSA-N 1 3 338.496 2.737 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000459382373 477875043 /nfs/dbraw/zinc/87/50/43/477875043.db2.gz DNRCEFIWRXEWHG-KURKYZTESA-N 1 3 338.517 2.626 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOCC3CCCC3)CC2)CC1 ZINC000420979165 477875487 /nfs/dbraw/zinc/87/54/87/477875487.db2.gz JXGOJJNGKGFFAD-UHFFFAOYSA-N 1 3 337.552 2.685 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOCC3CCCC3)CC2)CC1 ZINC000420979165 477875493 /nfs/dbraw/zinc/87/54/93/477875493.db2.gz JXGOJJNGKGFFAD-UHFFFAOYSA-N 1 3 337.552 2.685 20 0 EFADHO CCc1noc(C)c1CN1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420979194 477875570 /nfs/dbraw/zinc/87/55/70/477875570.db2.gz KAQLUUWLHQZJEI-UHFFFAOYSA-N 1 3 334.508 2.537 20 0 EFADHO CCc1noc(C)c1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420979194 477875575 /nfs/dbraw/zinc/87/55/75/477875575.db2.gz KAQLUUWLHQZJEI-UHFFFAOYSA-N 1 3 334.508 2.537 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3N(C)C)CC2)CC1 ZINC000420984018 477876983 /nfs/dbraw/zinc/87/69/83/477876983.db2.gz RXLUWWPKJYYWHU-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3N(C)C)CC2)CC1 ZINC000420984018 477876989 /nfs/dbraw/zinc/87/69/89/477876989.db2.gz RXLUWWPKJYYWHU-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCOCC3CCCC3)CC2)CC1 ZINC000459395893 477883752 /nfs/dbraw/zinc/88/37/52/477883752.db2.gz DCPKUDZVKBIIHB-UHFFFAOYSA-N 1 3 337.552 2.543 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3CCN(CC4CCCC4)C3)CC2)ccn1 ZINC000459422635 477899509 /nfs/dbraw/zinc/89/95/09/477899509.db2.gz IPJKIOVKTHRSIF-LJQANCHMSA-N 1 3 328.504 2.905 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428470884 477907407 /nfs/dbraw/zinc/90/74/07/477907407.db2.gz SWJAKCNZVDTFJV-NRFANRHFSA-N 1 3 345.531 2.813 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428470884 477907414 /nfs/dbraw/zinc/90/74/14/477907414.db2.gz SWJAKCNZVDTFJV-NRFANRHFSA-N 1 3 345.531 2.813 20 0 EFADHO CC[NH+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000459463547 477917565 /nfs/dbraw/zinc/91/75/65/477917565.db2.gz NPZYCQJNTYDVTJ-WOJBJXKFSA-N 1 3 344.547 2.613 20 0 EFADHO COCC[C@H](Cc1ccco1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459471248 477922678 /nfs/dbraw/zinc/92/26/78/477922678.db2.gz BOOFVMUOANQBGC-QGZVFWFLSA-N 1 3 329.444 2.881 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149418 477934036 /nfs/dbraw/zinc/93/40/36/477934036.db2.gz ZJYXIAOMMLCVTL-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149418 477934047 /nfs/dbraw/zinc/93/40/47/477934047.db2.gz ZJYXIAOMMLCVTL-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO COCC[NH+]1CCC(NCc2cc(Br)ccc2C)CC1 ZINC000439141893 477935075 /nfs/dbraw/zinc/93/50/75/477935075.db2.gz PODGTAVCCXHMDL-UHFFFAOYSA-N 1 3 341.293 2.958 20 0 EFADHO C[C@@H]1CCN(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000532531076 477942232 /nfs/dbraw/zinc/94/22/32/477942232.db2.gz IVZYNHXGXRUMBU-QGZVFWFLSA-N 1 3 333.495 2.764 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000516667333 477973016 /nfs/dbraw/zinc/97/30/16/477973016.db2.gz OTDZMHDWRJJMDX-LJQANCHMSA-N 1 3 346.519 2.629 20 0 EFADHO CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465365064 477974872 /nfs/dbraw/zinc/97/48/72/477974872.db2.gz MKVDLJCSUYICSK-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465365064 477974877 /nfs/dbraw/zinc/97/48/77/477974877.db2.gz MKVDLJCSUYICSK-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CN(CCc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000459564829 477978076 /nfs/dbraw/zinc/97/80/76/477978076.db2.gz SPRAJHPMOYIXFU-INIZCTEOSA-N 1 3 335.923 2.983 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000516749434 477980353 /nfs/dbraw/zinc/98/03/53/477980353.db2.gz NEHZFEKMOUVKRY-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000494496890 477998143 /nfs/dbraw/zinc/99/81/43/477998143.db2.gz QOCOJQZRUFFVKE-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000494496890 477998147 /nfs/dbraw/zinc/99/81/47/477998147.db2.gz QOCOJQZRUFFVKE-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@@H+]1C ZINC000466033881 478000188 /nfs/dbraw/zinc/00/01/88/478000188.db2.gz DEEAPMRZNLLEFN-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@H+]1C ZINC000466033881 478000194 /nfs/dbraw/zinc/00/01/94/478000194.db2.gz DEEAPMRZNLLEFN-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1)C1CC1 ZINC000428899458 478004010 /nfs/dbraw/zinc/00/40/10/478004010.db2.gz XPDYPYJZTASQHW-HNNXBMFYSA-N 1 3 329.488 2.870 20 0 EFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000559921146 478007910 /nfs/dbraw/zinc/00/79/10/478007910.db2.gz PVIAIKDHDZEAFW-DNVCBOLYSA-N 1 3 341.455 2.508 20 0 EFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000559921146 478007917 /nfs/dbraw/zinc/00/79/17/478007917.db2.gz PVIAIKDHDZEAFW-DNVCBOLYSA-N 1 3 341.455 2.508 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000494685937 478042741 /nfs/dbraw/zinc/04/27/41/478042741.db2.gz MLAUFIVPFORQQT-TXPKVOOTSA-N 1 3 331.504 2.764 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000421355822 478049533 /nfs/dbraw/zinc/04/95/33/478049533.db2.gz VJWXBRNXIFPNFL-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1C[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000421355822 478049537 /nfs/dbraw/zinc/04/95/37/478049537.db2.gz VJWXBRNXIFPNFL-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421354606 478049637 /nfs/dbraw/zinc/04/96/37/478049637.db2.gz WVOOLRQJHAJBIH-GBESFXJTSA-N 1 3 341.499 2.532 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(C2CCCC2)CC1 ZINC000439969074 478054583 /nfs/dbraw/zinc/05/45/83/478054583.db2.gz SLQNRJHJNRVIIK-IBGZPJMESA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCN(C2CCCC2)CC1 ZINC000439969074 478054591 /nfs/dbraw/zinc/05/45/91/478054591.db2.gz SLQNRJHJNRVIIK-IBGZPJMESA-N 1 3 333.520 2.870 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440001820 478059871 /nfs/dbraw/zinc/05/98/71/478059871.db2.gz NFUCVCRRFNWVNG-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440001820 478059878 /nfs/dbraw/zinc/05/98/78/478059878.db2.gz NFUCVCRRFNWVNG-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC000421381860 478064500 /nfs/dbraw/zinc/06/45/00/478064500.db2.gz XFLKFFPLPNQPJN-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC000421381860 478064502 /nfs/dbraw/zinc/06/45/02/478064502.db2.gz XFLKFFPLPNQPJN-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)c(C)c3)CC2)CC1 ZINC000421381860 478064509 /nfs/dbraw/zinc/06/45/09/478064509.db2.gz XFLKFFPLPNQPJN-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCOc1c(OC)cc(CNCC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459734256 478065481 /nfs/dbraw/zinc/06/54/81/478065481.db2.gz OIXKKOJUWJVKEM-HNNXBMFYSA-N 1 3 336.476 2.924 20 0 EFADHO CCOc1c(OC)cc(CNCC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459734256 478065487 /nfs/dbraw/zinc/06/54/87/478065487.db2.gz OIXKKOJUWJVKEM-HNNXBMFYSA-N 1 3 336.476 2.924 20 0 EFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517223299 478066210 /nfs/dbraw/zinc/06/62/10/478066210.db2.gz FGLPHKFGISMZPZ-WBVHZDCISA-N 1 3 346.471 2.584 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421404187 478075700 /nfs/dbraw/zinc/07/57/00/478075700.db2.gz YGCQHKFKCLRIPP-IBGZPJMESA-N 1 3 345.531 2.813 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421404187 478075707 /nfs/dbraw/zinc/07/57/07/478075707.db2.gz YGCQHKFKCLRIPP-IBGZPJMESA-N 1 3 345.531 2.813 20 0 EFADHO CSc1cc(C)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000517337969 478080379 /nfs/dbraw/zinc/08/03/79/478080379.db2.gz USRMSXFWQZRARP-UHFFFAOYSA-N 1 3 338.521 2.674 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000517391406 478088147 /nfs/dbraw/zinc/08/81/47/478088147.db2.gz RMDDVPDLJRYAJF-GJZGRUSLSA-N 1 3 345.468 2.956 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000517391404 478089121 /nfs/dbraw/zinc/08/91/21/478089121.db2.gz RMDDVPDLJRYAJF-CABCVRRESA-N 1 3 345.468 2.956 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C/c3ccncc3)CC2)C[C@H](C)O1 ZINC000494988123 478097404 /nfs/dbraw/zinc/09/74/04/478097404.db2.gz WYNCHGNGHYCCSF-GEWVGOBGSA-N 1 3 329.488 2.916 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C/c3ccncc3)CC2)C[C@H](C)O1 ZINC000494988123 478097419 /nfs/dbraw/zinc/09/74/19/478097419.db2.gz WYNCHGNGHYCCSF-GEWVGOBGSA-N 1 3 329.488 2.916 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429289641 478100621 /nfs/dbraw/zinc/10/06/21/478100621.db2.gz CIWKWBLNCWUXEY-PKOBYXMFSA-N 1 3 329.488 2.918 20 0 EFADHO C[C@H](CCNCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000560545548 478108736 /nfs/dbraw/zinc/10/87/36/478108736.db2.gz NSYGHNNJZKTWTK-GOSISDBHSA-N 1 3 331.504 2.762 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C[NH3+])C1CC1 ZINC000517892613 478130027 /nfs/dbraw/zinc/13/00/27/478130027.db2.gz ZEOVDFNSAPXCAE-QMTHXVAHSA-N 1 3 329.366 2.749 20 0 EFADHO COc1cc2nccc(N3CC[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000560814673 478134763 /nfs/dbraw/zinc/13/47/63/478134763.db2.gz HOVTXOAVOJUJHE-AWEZNQCLSA-N 1 3 327.428 2.927 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429476304 478140659 /nfs/dbraw/zinc/14/06/59/478140659.db2.gz XOFSUUDAVCZQMF-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000561070079 478150069 /nfs/dbraw/zinc/15/00/69/478150069.db2.gz PLHPMCFLZWVCNA-IRXDYDNUSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488502199 478155632 /nfs/dbraw/zinc/15/56/32/478155632.db2.gz RXWZVQBVBSHJIM-FTEYMNFISA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488502199 478155637 /nfs/dbraw/zinc/15/56/37/478155637.db2.gz RXWZVQBVBSHJIM-FTEYMNFISA-N 1 3 343.515 2.886 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000488500655 478156144 /nfs/dbraw/zinc/15/61/44/478156144.db2.gz FVFLOVCZPZMPPQ-FUHWJXTLSA-N 1 3 335.536 2.926 20 0 EFADHO CCNC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000488500655 478156146 /nfs/dbraw/zinc/15/61/46/478156146.db2.gz FVFLOVCZPZMPPQ-FUHWJXTLSA-N 1 3 335.536 2.926 20 0 EFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H]1c1ccccc1 ZINC000561192348 478164058 /nfs/dbraw/zinc/16/40/58/478164058.db2.gz OYKNEGJERISZGO-OKZBNKHCSA-N 1 3 344.503 2.509 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495311067 478169467 /nfs/dbraw/zinc/16/94/67/478169467.db2.gz ASWNUOBYUNQLRX-CABCVRRESA-N 1 3 327.513 2.952 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495311067 478169475 /nfs/dbraw/zinc/16/94/75/478169475.db2.gz ASWNUOBYUNQLRX-CABCVRRESA-N 1 3 327.513 2.952 20 0 EFADHO O=C(N[C@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000518502127 478172717 /nfs/dbraw/zinc/17/27/17/478172717.db2.gz OQIZTBZPTLAEHL-WBVHZDCISA-N 1 3 341.455 2.627 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495335202 478174999 /nfs/dbraw/zinc/17/49/99/478174999.db2.gz DTXUPUPGCFNYFC-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)=C(C)C3)CC2)CC1 ZINC000561336743 478178972 /nfs/dbraw/zinc/17/89/72/478178972.db2.gz WBTMOWGHYGJOIO-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO C[NH+](C)CCC1CCN(CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495393853 478188990 /nfs/dbraw/zinc/18/89/90/478188990.db2.gz WFFBMLJBYSMIGR-UHFFFAOYSA-N 1 3 327.513 2.953 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762391 478203365 /nfs/dbraw/zinc/20/33/65/478203365.db2.gz SXJCIKCHHXOFFG-ZULIPRJHSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762391 478203370 /nfs/dbraw/zinc/20/33/70/478203370.db2.gz SXJCIKCHHXOFFG-ZULIPRJHSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561954938 478209743 /nfs/dbraw/zinc/20/97/43/478209743.db2.gz KIXXNWGDLNXFBU-DFQSSKMNSA-N 1 3 342.483 2.931 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561954938 478209746 /nfs/dbraw/zinc/20/97/46/478209746.db2.gz KIXXNWGDLNXFBU-DFQSSKMNSA-N 1 3 342.483 2.931 20 0 EFADHO C[C@H](CCN1CC[C@@H](O)CC(C)(C)C1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451811541 478212217 /nfs/dbraw/zinc/21/22/17/478212217.db2.gz PHEOVXDXPGSOAE-KZNAEPCWSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CCN1CC[C@@H](O)CC(C)(C)C1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451811541 478212222 /nfs/dbraw/zinc/21/22/22/478212222.db2.gz PHEOVXDXPGSOAE-KZNAEPCWSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451811541 478212223 /nfs/dbraw/zinc/21/22/23/478212223.db2.gz PHEOVXDXPGSOAE-KZNAEPCWSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@@H](O)CC(C)(C)C1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451811541 478212227 /nfs/dbraw/zinc/21/22/27/478212227.db2.gz PHEOVXDXPGSOAE-KZNAEPCWSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000519157869 478213094 /nfs/dbraw/zinc/21/30/94/478213094.db2.gz NDMPZMKDHOZRNY-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000562138466 478216971 /nfs/dbraw/zinc/21/69/71/478216971.db2.gz DNHBLYCDSYYRTB-LNLFQRSKSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000562138466 478216974 /nfs/dbraw/zinc/21/69/74/478216974.db2.gz DNHBLYCDSYYRTB-LNLFQRSKSA-N 1 3 346.519 2.707 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000562190475 478218687 /nfs/dbraw/zinc/21/86/87/478218687.db2.gz POXNYABNMWTVMM-OALUTQOASA-N 1 3 331.504 2.700 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000562190475 478218691 /nfs/dbraw/zinc/21/86/91/478218691.db2.gz POXNYABNMWTVMM-OALUTQOASA-N 1 3 331.504 2.700 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000519350687 478221100 /nfs/dbraw/zinc/22/11/00/478221100.db2.gz PVSQYRRLCQNUIT-IEBWSBKVSA-N 1 3 334.508 2.628 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1C ZINC000519350688 478221348 /nfs/dbraw/zinc/22/13/48/478221348.db2.gz PVSQYRRLCQNUIT-MJGOQNOKSA-N 1 3 334.508 2.628 20 0 EFADHO O[C@H]1CCN(Cc2cccc(NC3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000562281822 478226616 /nfs/dbraw/zinc/22/66/16/478226616.db2.gz PLVCLOPSNDURJK-FQEVSTJZSA-N 1 3 329.488 2.540 20 0 EFADHO Cc1cc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000519523454 478229242 /nfs/dbraw/zinc/22/92/42/478229242.db2.gz OCUWGWYFQZGPSD-UHFFFAOYSA-N 1 3 340.899 2.914 20 0 EFADHO CSC1(CN[C@H](c2nc[nH]n2)C2CCCCC2)CC[NH+](C)CC1 ZINC000562340851 478235059 /nfs/dbraw/zinc/23/50/59/478235059.db2.gz XHPVOPJDOKBHDP-HNNXBMFYSA-N 1 3 337.537 2.843 20 0 EFADHO C[NH+]1CCC(CNCc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000495577079 478235889 /nfs/dbraw/zinc/23/58/89/478235889.db2.gz BTXGPPRBWNYETI-UHFFFAOYSA-N 1 3 340.493 2.922 20 0 EFADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519596766 478238051 /nfs/dbraw/zinc/23/80/51/478238051.db2.gz WONKBKBJORCQND-SLFFLAALSA-N 1 3 332.488 2.763 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495604153 478243346 /nfs/dbraw/zinc/24/33/46/478243346.db2.gz SCFXMVVIQFEOOB-MRXNPFEDSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000489491143 478251029 /nfs/dbraw/zinc/25/10/29/478251029.db2.gz XRRZKLFNOXSPQH-LLVKDONJSA-N 1 3 345.256 2.696 20 0 EFADHO C[C@@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000519926832 478271080 /nfs/dbraw/zinc/27/10/80/478271080.db2.gz JQFWCBDVEDIFKQ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000495734656 478289875 /nfs/dbraw/zinc/28/98/75/478289875.db2.gz PNLJJVRVNGDUBY-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO C[C@@H](CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C[NH+]1CCCC1 ZINC000495734656 478289880 /nfs/dbraw/zinc/28/98/80/478289880.db2.gz PNLJJVRVNGDUBY-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495751444 478301731 /nfs/dbraw/zinc/30/17/31/478301731.db2.gz ZGKMYCFORVLYAJ-HUUCEWRRSA-N 1 3 325.497 2.562 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426181 478302163 /nfs/dbraw/zinc/30/21/63/478302163.db2.gz NDXBKRBALGOYOX-DYESRHJHSA-N 1 3 342.531 2.971 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426181 478302166 /nfs/dbraw/zinc/30/21/66/478302166.db2.gz NDXBKRBALGOYOX-DYESRHJHSA-N 1 3 342.531 2.971 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000579464326 478304214 /nfs/dbraw/zinc/30/42/14/478304214.db2.gz LZTWTGYQUXLNHX-KRWDZBQOSA-N 1 3 338.517 2.562 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000579464326 478304222 /nfs/dbraw/zinc/30/42/22/478304222.db2.gz LZTWTGYQUXLNHX-KRWDZBQOSA-N 1 3 338.517 2.562 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000520526401 478320675 /nfs/dbraw/zinc/32/06/75/478320675.db2.gz IGXNCGUPGTXKHK-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000490375951 478335585 /nfs/dbraw/zinc/33/55/85/478335585.db2.gz QRWMJFLVROIQAK-AZUAARDMSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000490375951 478335590 /nfs/dbraw/zinc/33/55/90/478335590.db2.gz QRWMJFLVROIQAK-AZUAARDMSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786872 478340734 /nfs/dbraw/zinc/34/07/34/478340734.db2.gz DTTHNBYLYLBIIN-LJQANCHMSA-N 1 3 334.504 2.787 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786872 478340744 /nfs/dbraw/zinc/34/07/44/478340744.db2.gz DTTHNBYLYLBIIN-LJQANCHMSA-N 1 3 334.504 2.787 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000537967611 478341516 /nfs/dbraw/zinc/34/15/16/478341516.db2.gz RTJZPWPLACTYIF-SWLSCSKDSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000537967611 478341523 /nfs/dbraw/zinc/34/15/23/478341523.db2.gz RTJZPWPLACTYIF-SWLSCSKDSA-N 1 3 334.851 2.862 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000562797089 478352690 /nfs/dbraw/zinc/35/26/90/478352690.db2.gz UBKDFQICHVTWCG-RTBURBONSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000562803273 478354885 /nfs/dbraw/zinc/35/48/85/478354885.db2.gz QAOZJXWSXPKZPI-YVWKXTFCSA-N 1 3 344.503 2.511 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000538393671 478357715 /nfs/dbraw/zinc/35/77/15/478357715.db2.gz OYNNIRLIONVZRK-XUVXKRRUSA-N 1 3 346.515 2.963 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)c2cccs2)CC1 ZINC000521071496 478369470 /nfs/dbraw/zinc/36/94/70/478369470.db2.gz PRYOIHVBNCMTTK-JKSUJKDBSA-N 1 3 335.517 2.589 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)c2cccs2)CC1 ZINC000521071496 478369477 /nfs/dbraw/zinc/36/94/77/478369477.db2.gz PRYOIHVBNCMTTK-JKSUJKDBSA-N 1 3 335.517 2.589 20 0 EFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000570604224 478396584 /nfs/dbraw/zinc/39/65/84/478396584.db2.gz KRLFGPLLRFUOFF-WBQJQJEBSA-N 1 3 331.504 2.820 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083122 478400757 /nfs/dbraw/zinc/40/07/57/478400757.db2.gz GUBHRRAYVHIETQ-SWLSCSKDSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083122 478400764 /nfs/dbraw/zinc/40/07/64/478400764.db2.gz GUBHRRAYVHIETQ-SWLSCSKDSA-N 1 3 334.851 2.862 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000562986684 478404188 /nfs/dbraw/zinc/40/41/88/478404188.db2.gz ICPGDMWZUGWJNA-MRXNPFEDSA-N 1 3 342.405 2.782 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000562986684 478404195 /nfs/dbraw/zinc/40/41/95/478404195.db2.gz ICPGDMWZUGWJNA-MRXNPFEDSA-N 1 3 342.405 2.782 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1 ZINC000581731163 478431895 /nfs/dbraw/zinc/43/18/95/478431895.db2.gz MQWOVBXWACWDTC-KBPBESRZSA-N 1 3 337.895 2.967 20 0 EFADHO Cc1cc(C)c(C(=O)NC2CC[NH+](CC[C@@H]3CCCCN3C)CC2)o1 ZINC000527576789 478433316 /nfs/dbraw/zinc/43/33/16/478433316.db2.gz PMMXUYKVRRCOGV-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO CC(C)C[C@@H](CNC[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953456 478436313 /nfs/dbraw/zinc/43/63/13/478436313.db2.gz XBWDCUDNABMDKG-CVEARBPZSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)C[C@@H](CNC[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953456 478436318 /nfs/dbraw/zinc/43/63/18/478436318.db2.gz XBWDCUDNABMDKG-CVEARBPZSA-N 1 3 327.513 2.857 20 0 EFADHO C[C@H](c1ccc(-c2ccc(C[NH3+])s2)cc1)N1CCN(CCO)CC1 ZINC000527588837 478437720 /nfs/dbraw/zinc/43/77/20/478437720.db2.gz SEWBUBKUGZTFOQ-OAHLLOKOSA-N 1 3 345.512 2.545 20 0 EFADHO C[C@@H](c1ccc(-c2ccc(C[NH3+])s2)cc1)N1CCN(CCO)CC1 ZINC000527588826 478437760 /nfs/dbraw/zinc/43/77/60/478437760.db2.gz SEWBUBKUGZTFOQ-HNNXBMFYSA-N 1 3 345.512 2.545 20 0 EFADHO NC1(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CCC1 ZINC000563075343 478440599 /nfs/dbraw/zinc/44/05/99/478440599.db2.gz CIZMMPMSLHUPNA-UHFFFAOYSA-N 1 3 343.515 2.719 20 0 EFADHO N[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1F ZINC000563113649 478451779 /nfs/dbraw/zinc/45/17/79/478451779.db2.gz TYMUPZNSLJHYRA-QXAKKESOSA-N 1 3 341.430 2.559 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000527651258 478461729 /nfs/dbraw/zinc/46/17/29/478461729.db2.gz VDJLCMPMIXUSKO-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO c1cc2ccc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)cc2[nH]1 ZINC000527651904 478463112 /nfs/dbraw/zinc/46/31/12/478463112.db2.gz YQXMBQVJBWJOMF-UHFFFAOYSA-N 1 3 349.482 2.865 20 0 EFADHO FC(F)(F)c1ccc(OCC[NH2+]C2CCN(CC3CC3)CC2)nc1 ZINC000540397868 478474085 /nfs/dbraw/zinc/47/40/85/478474085.db2.gz XKDTXTREQTVVER-UHFFFAOYSA-N 1 3 343.393 2.943 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000563192648 478475312 /nfs/dbraw/zinc/47/53/12/478475312.db2.gz GKXZJHNVUQYDBB-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000563192648 478475320 /nfs/dbraw/zinc/47/53/20/478475320.db2.gz GKXZJHNVUQYDBB-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000540597782 478484282 /nfs/dbraw/zinc/48/42/82/478484282.db2.gz ZBGOAUQGIALKMW-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496048845 478502293 /nfs/dbraw/zinc/50/22/93/478502293.db2.gz ZFXVNMNTVJHSQQ-GJZGRUSLSA-N 1 3 348.491 2.843 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)CCN(C)c2ccncc2)CC1 ZINC000540927170 478512327 /nfs/dbraw/zinc/51/23/27/478512327.db2.gz RYFUSQDQJOPWSA-UHFFFAOYSA-N 1 3 346.519 2.782 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C)CC3)CC2)CC1 ZINC000571071071 478516271 /nfs/dbraw/zinc/51/62/71/478516271.db2.gz DRLAVYBLOZSGKW-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000563350108 478524970 /nfs/dbraw/zinc/52/49/70/478524970.db2.gz KZJXKQDNIVHUKO-LSDHHAIUSA-N 1 3 337.533 2.514 20 0 EFADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000563350108 478524981 /nfs/dbraw/zinc/52/49/81/478524981.db2.gz KZJXKQDNIVHUKO-LSDHHAIUSA-N 1 3 337.533 2.514 20 0 EFADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCCCC1 ZINC000571147774 478529886 /nfs/dbraw/zinc/52/98/86/478529886.db2.gz VDPSSLFYLGVCGN-HNNXBMFYSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101166 478538013 /nfs/dbraw/zinc/53/80/13/478538013.db2.gz PRTMKTFYIRUSII-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101166 478538019 /nfs/dbraw/zinc/53/80/19/478538019.db2.gz PRTMKTFYIRUSII-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cncc(C)c3)CC2)CC1 ZINC000563380249 478542135 /nfs/dbraw/zinc/54/21/35/478542135.db2.gz BDQYVQGWPJQUGY-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000591429407 478549772 /nfs/dbraw/zinc/54/97/72/478549772.db2.gz DNFDRHNIXXZSPR-DLBZAZTESA-N 1 3 347.503 2.620 20 0 EFADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000591429407 478549776 /nfs/dbraw/zinc/54/97/76/478549776.db2.gz DNFDRHNIXXZSPR-DLBZAZTESA-N 1 3 347.503 2.620 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496128325 478555054 /nfs/dbraw/zinc/55/50/54/478555054.db2.gz ZVCNPBNAQDTILR-MORSLUCNSA-N 1 3 331.460 2.978 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COCc1ccccc1F)N1CCCCC1 ZINC000571315425 478569979 /nfs/dbraw/zinc/56/99/79/478569979.db2.gz CCCLNUAAZKIIJP-WMZOPIPTSA-N 1 3 338.467 2.557 20 0 EFADHO CCn1nncc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000527917245 478571087 /nfs/dbraw/zinc/57/10/87/478571087.db2.gz SEJQNRHTRXIZHY-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CCn1nncc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000527917245 478571107 /nfs/dbraw/zinc/57/11/07/478571107.db2.gz SEJQNRHTRXIZHY-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000496150127 478571877 /nfs/dbraw/zinc/57/18/77/478571877.db2.gz XOEJQAKZSPPSGD-UHFFFAOYSA-N 1 3 333.476 2.894 20 0 EFADHO CCC[C@@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccn1 ZINC000591566697 478583146 /nfs/dbraw/zinc/58/31/46/478583146.db2.gz KTXNRSGSXJXYNI-NVXWUHKLSA-N 1 3 333.476 2.834 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000563545953 478584321 /nfs/dbraw/zinc/58/43/21/478584321.db2.gz XIDBIWRFPQWFSH-QXAKKESOSA-N 1 3 344.503 2.592 20 0 EFADHO CCN(CCC[NH+](C)C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000496180639 478591271 /nfs/dbraw/zinc/59/12/71/478591271.db2.gz IUEMWFQRZTWECL-SFHVURJKSA-N 1 3 327.513 2.907 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000527967705 478592267 /nfs/dbraw/zinc/59/22/67/478592267.db2.gz JPZWCPBXHZHZAN-JSFADZTLSA-N 1 3 331.504 2.588 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000527967705 478592277 /nfs/dbraw/zinc/59/22/77/478592277.db2.gz JPZWCPBXHZHZAN-JSFADZTLSA-N 1 3 331.504 2.588 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000527971311 478594137 /nfs/dbraw/zinc/59/41/37/478594137.db2.gz ZUEXSAXFEFAXGJ-PMXSJFBMSA-N 1 3 343.515 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000527971311 478594145 /nfs/dbraw/zinc/59/41/45/478594145.db2.gz ZUEXSAXFEFAXGJ-PMXSJFBMSA-N 1 3 343.515 2.732 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](C)CN(C)C ZINC000491588013 478596004 /nfs/dbraw/zinc/59/60/04/478596004.db2.gz DLQISSCDSHPVRR-LBPRGKRZSA-N 1 3 334.416 2.515 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000527994470 478603389 /nfs/dbraw/zinc/60/33/89/478603389.db2.gz SESFBJZDKUKFCP-LJQANCHMSA-N 1 3 348.535 2.710 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000582485165 478610330 /nfs/dbraw/zinc/61/03/30/478610330.db2.gz XYFRHDIYIUCOJZ-VQIMIIECSA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000582485165 478610341 /nfs/dbraw/zinc/61/03/41/478610341.db2.gz XYFRHDIYIUCOJZ-VQIMIIECSA-N 1 3 343.515 2.890 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000571632401 478639653 /nfs/dbraw/zinc/63/96/53/478639653.db2.gz BSZAGLDWKWXBOH-UUAJXVIYSA-N 1 3 346.475 2.677 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000582603701 478640763 /nfs/dbraw/zinc/64/07/63/478640763.db2.gz NXDFJNIPHDYOJR-FXAWDEMLSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)nc2C2CCCCC2)CC1 ZINC000542310748 478641372 /nfs/dbraw/zinc/64/13/72/478641372.db2.gz OYQPIWJPKDDDAW-UHFFFAOYSA-N 1 3 348.535 2.793 20 0 EFADHO O=C(CCCc1ccccc1)NCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000563880702 478654234 /nfs/dbraw/zinc/65/42/34/478654234.db2.gz VCLDTGKTXVDWQU-UHFFFAOYSA-N 1 3 343.515 2.590 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717439 478667482 /nfs/dbraw/zinc/66/74/82/478667482.db2.gz SKFVDOAGCZSYIF-YQVWRLOYSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717439 478667489 /nfs/dbraw/zinc/66/74/89/478667489.db2.gz SKFVDOAGCZSYIF-YQVWRLOYSA-N 1 3 335.536 2.830 20 0 EFADHO c1ccc(N2CCO[C@@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000571775163 478676327 /nfs/dbraw/zinc/67/63/27/478676327.db2.gz YHYYKOLWFVRFCE-NRFANRHFSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582790729 478687389 /nfs/dbraw/zinc/68/73/89/478687389.db2.gz BZHGIUZOBMRISV-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000582790729 478687396 /nfs/dbraw/zinc/68/73/96/478687396.db2.gz BZHGIUZOBMRISV-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564064965 478688657 /nfs/dbraw/zinc/68/86/57/478688657.db2.gz CJGRFSQZOAETGB-WDYCEAGBSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564064965 478688665 /nfs/dbraw/zinc/68/86/65/478688665.db2.gz CJGRFSQZOAETGB-WDYCEAGBSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCCNC1 ZINC000571872850 478696749 /nfs/dbraw/zinc/69/67/49/478696749.db2.gz DLYGAAKXMOJFPE-STQMWFEESA-N 1 3 331.382 2.847 20 0 EFADHO C[C@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]C1 ZINC000571872850 478696754 /nfs/dbraw/zinc/69/67/54/478696754.db2.gz DLYGAAKXMOJFPE-STQMWFEESA-N 1 3 331.382 2.847 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571916329 478706724 /nfs/dbraw/zinc/70/67/24/478706724.db2.gz WGAWMFFJGCZONY-APWZRJJASA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571916329 478706731 /nfs/dbraw/zinc/70/67/31/478706731.db2.gz WGAWMFFJGCZONY-APWZRJJASA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571916330 478707139 /nfs/dbraw/zinc/70/71/39/478707139.db2.gz WGAWMFFJGCZONY-LPHOPBHVSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571916330 478707147 /nfs/dbraw/zinc/70/71/47/478707147.db2.gz WGAWMFFJGCZONY-LPHOPBHVSA-N 1 3 329.488 2.502 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000582899752 478713257 /nfs/dbraw/zinc/71/32/57/478713257.db2.gz FQFYPTIDXAMYQA-PXNSSMCTSA-N 1 3 334.504 2.938 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000582899752 478713262 /nfs/dbraw/zinc/71/32/62/478713262.db2.gz FQFYPTIDXAMYQA-PXNSSMCTSA-N 1 3 334.504 2.938 20 0 EFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000582903507 478714984 /nfs/dbraw/zinc/71/49/84/478714984.db2.gz DIEPUQIKPKASJR-ZIAGYGMSSA-N 1 3 340.899 2.539 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000601221029 478730854 /nfs/dbraw/zinc/73/08/54/478730854.db2.gz HSUJWAWZFOJEEI-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528373548 478740625 /nfs/dbraw/zinc/74/06/25/478740625.db2.gz TWMBSKGUACDWMI-IBGZPJMESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528373548 478740637 /nfs/dbraw/zinc/74/06/37/478740637.db2.gz TWMBSKGUACDWMI-IBGZPJMESA-N 1 3 335.536 2.972 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564443620 478743686 /nfs/dbraw/zinc/74/36/86/478743686.db2.gz HNYZRAZKBNELDK-INIZCTEOSA-N 1 3 330.394 2.683 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498210327 478753777 /nfs/dbraw/zinc/75/37/77/478753777.db2.gz OHGFJRXMXYWDOD-WDSOQIARSA-N 1 3 331.504 2.921 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498210327 478753788 /nfs/dbraw/zinc/75/37/88/478753788.db2.gz OHGFJRXMXYWDOD-WDSOQIARSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000572114858 478754244 /nfs/dbraw/zinc/75/42/44/478754244.db2.gz LSEFNBNSRXCWHW-RBUKOAKNSA-N 1 3 334.504 2.897 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498210326 478755235 /nfs/dbraw/zinc/75/52/35/478755235.db2.gz OHGFJRXMXYWDOD-UHOSZYNNSA-N 1 3 331.504 2.921 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498210326 478755244 /nfs/dbraw/zinc/75/52/44/478755244.db2.gz OHGFJRXMXYWDOD-UHOSZYNNSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498213921 478755473 /nfs/dbraw/zinc/75/54/73/478755473.db2.gz KXNLPQBHOLQSHP-HQRMLTQVSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498213921 478755479 /nfs/dbraw/zinc/75/54/79/478755479.db2.gz KXNLPQBHOLQSHP-HQRMLTQVSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601283735 478764440 /nfs/dbraw/zinc/76/44/40/478764440.db2.gz JNRLQWWOYOBHNT-RBUKOAKNSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ncc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)n1C ZINC000564587531 478765135 /nfs/dbraw/zinc/76/51/35/478765135.db2.gz ZVTMNVUXINHFQZ-INIZCTEOSA-N 1 3 342.487 2.718 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCN(C)c1ccncc1 ZINC000543714048 478772894 /nfs/dbraw/zinc/77/28/94/478772894.db2.gz HULLCHHAFGQNMP-SFHVURJKSA-N 1 3 332.492 2.535 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CCN(C)c1ccncc1 ZINC000543714048 478772900 /nfs/dbraw/zinc/77/29/00/478772900.db2.gz HULLCHHAFGQNMP-SFHVURJKSA-N 1 3 332.492 2.535 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000499126485 478773508 /nfs/dbraw/zinc/77/35/08/478773508.db2.gz LLJQOLCZVPGYTD-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000601338758 478793108 /nfs/dbraw/zinc/79/31/08/478793108.db2.gz ISVCUANZPHSGSI-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000492036879 478793758 /nfs/dbraw/zinc/79/37/58/478793758.db2.gz AXALEGPZJWSSRK-RACPOZDESA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000492036879 478793767 /nfs/dbraw/zinc/79/37/67/478793767.db2.gz AXALEGPZJWSSRK-RACPOZDESA-N 1 3 341.499 2.619 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000572356698 478816120 /nfs/dbraw/zinc/81/61/20/478816120.db2.gz SCBUWOPDOBFLJA-MCIONIFRSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000572356698 478816128 /nfs/dbraw/zinc/81/61/28/478816128.db2.gz SCBUWOPDOBFLJA-MCIONIFRSA-N 1 3 346.393 2.517 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000572373069 478821195 /nfs/dbraw/zinc/82/11/95/478821195.db2.gz QDAXEMOZJYCTRY-OXJNMPFZSA-N 1 3 331.504 2.934 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000583317234 478821344 /nfs/dbraw/zinc/82/13/44/478821344.db2.gz AJUSCYOUBLUSSF-BZUAXINKSA-N 1 3 326.868 2.542 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000564845616 478828450 /nfs/dbraw/zinc/82/84/50/478828450.db2.gz ZNZAMWOFMALXDC-AWEZNQCLSA-N 1 3 346.393 2.519 20 0 EFADHO CC1CC[NH+](CCCCNCCS(=O)(=O)c2ccccc2)CC1 ZINC000564844848 478829645 /nfs/dbraw/zinc/82/96/45/478829645.db2.gz OKZJGIKHVBARSO-UHFFFAOYSA-N 1 3 338.517 2.562 20 0 EFADHO CNC[C@](C)(O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000572413670 478830343 /nfs/dbraw/zinc/83/03/43/478830343.db2.gz OHKXXZRGMFYBMI-INIZCTEOSA-N 1 3 341.293 2.599 20 0 EFADHO C[C@H](CN1CCC(C[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000492129019 478838362 /nfs/dbraw/zinc/83/83/62/478838362.db2.gz CJJVJMHZXUELOJ-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(CC)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000503533458 478844147 /nfs/dbraw/zinc/84/41/47/478844147.db2.gz IEKDBHATLLROAZ-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503533458 478844154 /nfs/dbraw/zinc/84/41/54/478844154.db2.gz IEKDBHATLLROAZ-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000503533457 478844187 /nfs/dbraw/zinc/84/41/87/478844187.db2.gz IEKDBHATLLROAZ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503533457 478844194 /nfs/dbraw/zinc/84/41/94/478844194.db2.gz IEKDBHATLLROAZ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000503770649 478846983 /nfs/dbraw/zinc/84/69/83/478846983.db2.gz AGAYIKIGHONXKB-SJORKVTESA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429143 478850189 /nfs/dbraw/zinc/85/01/89/478850189.db2.gz JDZQLBJHTMWCNE-XHSDSOJGSA-N 1 3 344.503 2.820 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429143 478850192 /nfs/dbraw/zinc/85/01/92/478850192.db2.gz JDZQLBJHTMWCNE-XHSDSOJGSA-N 1 3 344.503 2.820 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C)CCCC3)CC2)CC1 ZINC000572495740 478851823 /nfs/dbraw/zinc/85/18/23/478851823.db2.gz ZIRJGIHDBDIOBO-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583498492 478867264 /nfs/dbraw/zinc/86/72/64/478867264.db2.gz XJNAMZDBLLHDEL-DNVCBOLYSA-N 1 3 343.515 2.716 20 0 EFADHO O=C(C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC000564973374 478872566 /nfs/dbraw/zinc/87/25/66/478872566.db2.gz CFQPKMMZMNGPAM-ZWKOTPCHSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973374 478872576 /nfs/dbraw/zinc/87/25/76/478872576.db2.gz CFQPKMMZMNGPAM-ZWKOTPCHSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973374 478872584 /nfs/dbraw/zinc/87/25/84/478872584.db2.gz CFQPKMMZMNGPAM-ZWKOTPCHSA-N 1 3 347.478 2.544 20 0 EFADHO C[NH+]1CCC(Oc2ccc(CNC[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000583560605 478879098 /nfs/dbraw/zinc/87/90/98/478879098.db2.gz WWHLSTSCLIZSDX-INIZCTEOSA-N 1 3 346.393 2.563 20 0 EFADHO CCc1nncn1CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000583605133 478887322 /nfs/dbraw/zinc/88/73/22/478887322.db2.gz MNQRFURZPXTYOH-KRWDZBQOSA-N 1 3 341.503 2.526 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046086 478896461 /nfs/dbraw/zinc/89/64/61/478896461.db2.gz BLQDMHCPAHOVIK-IIAWOOMASA-N 1 3 327.432 2.514 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000572702430 478898439 /nfs/dbraw/zinc/89/84/39/478898439.db2.gz HCMGVGPLQWGIAP-RYUDHWBXSA-N 1 3 343.265 2.826 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000572733200 478908821 /nfs/dbraw/zinc/90/88/21/478908821.db2.gz HFEBXSXPEDSSSC-RBUKOAKNSA-N 1 3 346.519 2.645 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1nccc2ccccc21 ZINC000583782737 478937762 /nfs/dbraw/zinc/93/77/62/478937762.db2.gz ZGSPOBUHTIFKDK-KRWDZBQOSA-N 1 3 326.488 2.913 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000510683524 478970689 /nfs/dbraw/zinc/97/06/89/478970689.db2.gz GRDHPDLDTVQQFZ-JKSUJKDBSA-N 1 3 340.458 2.968 20 0 EFADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511228553 478975359 /nfs/dbraw/zinc/97/53/59/478975359.db2.gz ACSLSSZJHYKBHR-QGZVFWFLSA-N 1 3 348.535 2.544 20 0 EFADHO C[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511228553 478975364 /nfs/dbraw/zinc/97/53/64/478975364.db2.gz ACSLSSZJHYKBHR-QGZVFWFLSA-N 1 3 348.535 2.544 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512104672 478988194 /nfs/dbraw/zinc/98/81/94/478988194.db2.gz HOFQFKYRLQNOQS-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512104672 478988198 /nfs/dbraw/zinc/98/81/98/478988198.db2.gz HOFQFKYRLQNOQS-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)N[C@@H](C)CN(C)C)CC1)CC(C)C ZINC000512436234 478997395 /nfs/dbraw/zinc/99/73/95/478997395.db2.gz ITGPJKHSLHVQGF-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)CN(C)C)CC1)CC(C)C ZINC000512436234 478997404 /nfs/dbraw/zinc/99/74/04/478997404.db2.gz ITGPJKHSLHVQGF-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000573126559 478999250 /nfs/dbraw/zinc/99/92/50/478999250.db2.gz VBPZSKMGYZLFKE-QFBILLFUSA-N 1 3 344.503 2.592 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512551478 479000354 /nfs/dbraw/zinc/00/03/54/479000354.db2.gz UQTHVECDVFPEDF-IHPCNDPISA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512551478 479000359 /nfs/dbraw/zinc/00/03/59/479000359.db2.gz UQTHVECDVFPEDF-IHPCNDPISA-N 1 3 345.531 2.990 20 0 EFADHO CC[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512550460 479000660 /nfs/dbraw/zinc/00/06/60/479000660.db2.gz ICBBMBBQVSUZQC-BHIYHBOVSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512550460 479000670 /nfs/dbraw/zinc/00/06/70/479000670.db2.gz ICBBMBBQVSUZQC-BHIYHBOVSA-N 1 3 331.504 2.744 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COCc2ccccc2Cl)C1 ZINC000565416919 479003385 /nfs/dbraw/zinc/00/33/85/479003385.db2.gz KENCLXRZMAHWRD-ZACQAIPSSA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000565416919 479003396 /nfs/dbraw/zinc/00/33/96/479003396.db2.gz KENCLXRZMAHWRD-ZACQAIPSSA-N 1 3 340.895 2.680 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573224424 479019602 /nfs/dbraw/zinc/01/96/02/479019602.db2.gz KIPFPUZLGLRDAE-RBUKOAKNSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000573225437 479019757 /nfs/dbraw/zinc/01/97/57/479019757.db2.gz JRKLPCGIWAYRSV-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000565490642 479021208 /nfs/dbraw/zinc/02/12/08/479021208.db2.gz KVRNIVVNVUJGQK-YAJHFMINSA-N 1 3 331.504 2.655 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000584171905 479040472 /nfs/dbraw/zinc/04/04/72/479040472.db2.gz LUNGUXRNJMOANP-IEBWSBKVSA-N 1 3 347.478 2.686 20 0 EFADHO COc1cccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c1OC ZINC000514657579 479041101 /nfs/dbraw/zinc/04/11/01/479041101.db2.gz QDBFGSCANNHBRV-UHFFFAOYSA-N 1 3 341.455 2.900 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595901301 479059436 /nfs/dbraw/zinc/05/94/36/479059436.db2.gz UZMPLNBEGRITGQ-QGZVFWFLSA-N 1 3 346.471 2.564 20 0 EFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc(OC)c1 ZINC000565710588 479067272 /nfs/dbraw/zinc/06/72/72/479067272.db2.gz VQAVRXKKWACZBO-FFZOFVMBSA-N 1 3 347.503 2.528 20 0 EFADHO COc1cc(CN2CC[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)cc(OC)c1 ZINC000565710590 479067649 /nfs/dbraw/zinc/06/76/49/479067649.db2.gz VQAVRXKKWACZBO-VDGAXYAQSA-N 1 3 347.503 2.528 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1C ZINC000514931878 479092255 /nfs/dbraw/zinc/09/22/55/479092255.db2.gz BCNRENFVBHZDLM-IPMKNSEASA-N 1 3 334.504 2.814 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000584405769 479123463 /nfs/dbraw/zinc/12/34/63/479123463.db2.gz ZSMZOHWPXBOOGK-UTKZUKDTSA-N 1 3 342.483 2.881 20 0 EFADHO CCOc1ccc(CCC2CCN(C[C@](C)(O)C[NH2+]C)CC2)cc1 ZINC000584415501 479126784 /nfs/dbraw/zinc/12/67/84/479126784.db2.gz LREZXIWGEFQMEP-HXUWFJFHSA-N 1 3 334.504 2.700 20 0 EFADHO CCOc1ccc(CCC2CC[NH+](C[C@](C)(O)CNC)CC2)cc1 ZINC000584415501 479126792 /nfs/dbraw/zinc/12/67/92/479126792.db2.gz LREZXIWGEFQMEP-HXUWFJFHSA-N 1 3 334.504 2.700 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000573728953 479132018 /nfs/dbraw/zinc/13/20/18/479132018.db2.gz ZMNHUJBRFBDSHH-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000573728953 479132022 /nfs/dbraw/zinc/13/20/22/479132022.db2.gz ZMNHUJBRFBDSHH-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000584426396 479132336 /nfs/dbraw/zinc/13/23/36/479132336.db2.gz PULLRUXIPOTHHS-PLACYPQZSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000584426398 479132566 /nfs/dbraw/zinc/13/25/66/479132566.db2.gz PULLRUXIPOTHHS-XRXFAXGQSA-N 1 3 346.515 2.664 20 0 EFADHO COC(=O)c1csc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000602020163 479141502 /nfs/dbraw/zinc/14/15/02/479141502.db2.gz JPDWOVSCUREOES-LBPRGKRZSA-N 1 3 346.456 2.512 20 0 EFADHO COC(=O)c1csc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000602020162 479142058 /nfs/dbraw/zinc/14/20/58/479142058.db2.gz JPDWOVSCUREOES-GFCCVEGCSA-N 1 3 346.456 2.512 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCOC[C@@H]1CCCO1 ZINC000573803042 479147369 /nfs/dbraw/zinc/14/73/69/479147369.db2.gz CBXVNYGLCVHRQD-PCCBWWKXSA-N 1 3 346.515 2.854 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000515387077 479159142 /nfs/dbraw/zinc/15/91/42/479159142.db2.gz YYEGPAKZULWZKN-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000515387077 479159153 /nfs/dbraw/zinc/15/91/53/479159153.db2.gz YYEGPAKZULWZKN-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000515387075 479159872 /nfs/dbraw/zinc/15/98/72/479159872.db2.gz YYEGPAKZULWZKN-LMMKCTJWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000515387075 479159877 /nfs/dbraw/zinc/15/98/77/479159877.db2.gz YYEGPAKZULWZKN-LMMKCTJWSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CCCN(C)Cc1nc2ccc(F)cc2s1)CC[NH+](C)C ZINC000584557366 479174662 /nfs/dbraw/zinc/17/46/62/479174662.db2.gz VARBBAFZGSJVAJ-UHFFFAOYSA-N 1 3 338.496 2.751 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnn(C(C)C)c3)CC2)CC1 ZINC000573932260 479177738 /nfs/dbraw/zinc/17/77/38/479177738.db2.gz HSPQJAMIFVMVJK-UHFFFAOYSA-N 1 3 347.507 2.599 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000569837123 479190204 /nfs/dbraw/zinc/19/02/04/479190204.db2.gz IIESLVVVAHGXLB-OALUTQOASA-N 1 3 334.504 2.699 20 0 EFADHO CN(Cc1ccc2cc[nH]c2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000529567179 479208242 /nfs/dbraw/zinc/20/82/42/479208242.db2.gz JFOALCUPTQQMOC-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1ccc2cc[nH]c2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000529567179 479208250 /nfs/dbraw/zinc/20/82/50/479208250.db2.gz JFOALCUPTQQMOC-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO Cc1ccc(NC(=O)CCNCCC[N@@H+](C)Cc2ccccc2)nc1 ZINC000569921251 479209001 /nfs/dbraw/zinc/20/90/01/479209001.db2.gz PPVIATTZWBVECB-UHFFFAOYSA-N 1 3 340.471 2.830 20 0 EFADHO Cc1ccc(NC(=O)CCNCCC[N@H+](C)Cc2ccccc2)nc1 ZINC000569921251 479209008 /nfs/dbraw/zinc/20/90/08/479209008.db2.gz PPVIATTZWBVECB-UHFFFAOYSA-N 1 3 340.471 2.830 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000574071609 479210682 /nfs/dbraw/zinc/21/06/82/479210682.db2.gz HIQHRQMLNMCXQY-MOPGFXCFSA-N 1 3 334.504 2.673 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3ccnn3C)C2)s1 ZINC000574090034 479215314 /nfs/dbraw/zinc/21/53/14/479215314.db2.gz UFHGPHJBJHOVHL-MRXNPFEDSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3ccnn3C)C2)s1 ZINC000574090034 479215321 /nfs/dbraw/zinc/21/53/21/479215321.db2.gz UFHGPHJBJHOVHL-MRXNPFEDSA-N 1 3 332.517 2.786 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000584768515 479236090 /nfs/dbraw/zinc/23/60/90/479236090.db2.gz QZQMGQDWWFDWTQ-INIZCTEOSA-N 1 3 342.487 2.672 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)Nc1cccc2c1CCNC2)C(C)(C)C ZINC000557032673 479249331 /nfs/dbraw/zinc/24/93/31/479249331.db2.gz UCDDCWYTYVNTQZ-KRWDZBQOSA-N 1 3 332.492 2.820 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000584835348 479257036 /nfs/dbraw/zinc/25/70/36/479257036.db2.gz VBTUIQXZHJHZSB-PKOBYXMFSA-N 1 3 334.504 2.843 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000584834497 479257986 /nfs/dbraw/zinc/25/79/86/479257986.db2.gz QMJBKWBMHLVUEE-WBVHZDCISA-N 1 3 340.895 2.790 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000557164851 479260914 /nfs/dbraw/zinc/26/09/14/479260914.db2.gz YYLZYNMPKLMNSK-WMZOPIPTSA-N 1 3 344.503 2.511 20 0 EFADHO N[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000557191637 479265429 /nfs/dbraw/zinc/26/54/29/479265429.db2.gz OWTPTVFQKLATMI-IBGZPJMESA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000557521128 479284921 /nfs/dbraw/zinc/28/49/21/479284921.db2.gz MDFQRPSDFWXDQU-DLBZAZTESA-N 1 3 347.503 2.653 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(C)C)C3CC3)CC2)CC1 ZINC000557646516 479298673 /nfs/dbraw/zinc/29/86/73/479298673.db2.gz PTAFXSMLDBPMIR-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000574524713 479303781 /nfs/dbraw/zinc/30/37/81/479303781.db2.gz HNBDRZXKJJIDKK-HZPDHXFCSA-N 1 3 331.504 2.876 20 0 EFADHO CCOC(=O)CC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000611255521 479324109 /nfs/dbraw/zinc/32/41/09/479324109.db2.gz ZKNMTLCFVRYEKP-UHFFFAOYSA-N 1 3 348.487 2.792 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@H]1c1cccs1 ZINC000574694834 479331219 /nfs/dbraw/zinc/33/12/19/479331219.db2.gz RPBDJBBKQBQELX-INMHGKMJSA-N 1 3 335.517 2.779 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000574783859 479349068 /nfs/dbraw/zinc/34/90/68/479349068.db2.gz YJOPKOBZBDVIJU-GOSISDBHSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000574783859 479349074 /nfs/dbraw/zinc/34/90/74/479349074.db2.gz YJOPKOBZBDVIJU-GOSISDBHSA-N 1 3 330.476 2.718 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(I)s1)CN(C)C ZINC000603426369 479382851 /nfs/dbraw/zinc/38/28/51/479382851.db2.gz HUVRUWQCORBNGW-VIFPVBQESA-N 1 3 338.258 2.640 20 0 EFADHO COC(=O)CC1(NCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000611479391 479389900 /nfs/dbraw/zinc/38/99/00/479389900.db2.gz WDOGBIKHWROQIK-UHFFFAOYSA-N 1 3 346.471 2.737 20 0 EFADHO C[N@H+]1CC=C(CNCc2ccc(I)s2)CC1 ZINC000602583271 479410181 /nfs/dbraw/zinc/41/01/81/479410181.db2.gz WTQWUICMJPLBTR-UHFFFAOYSA-N 1 3 348.253 2.704 20 0 EFADHO C[N@@H+]1CC=C(CNCc2ccc(I)s2)CC1 ZINC000602583271 479410186 /nfs/dbraw/zinc/41/01/86/479410186.db2.gz WTQWUICMJPLBTR-UHFFFAOYSA-N 1 3 348.253 2.704 20 0 EFADHO CCc1cc2c(ncnc2N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000602614161 479424127 /nfs/dbraw/zinc/42/41/27/479424127.db2.gz XIJXQCCIVVLNKD-CYBMUJFWSA-N 1 3 345.516 2.834 20 0 EFADHO Cc1cccc(NCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000575243652 479425151 /nfs/dbraw/zinc/42/51/51/479425151.db2.gz XDKQIHSTUAVIQF-XLIONFOSSA-N 1 3 338.455 2.647 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1Cl ZINC000575408380 479440943 /nfs/dbraw/zinc/44/09/43/479440943.db2.gz LUKWCMFWFUQJOP-OAHLLOKOSA-N 1 3 339.867 2.751 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC=CCC3)CC2)CC1 ZINC000575455162 479445944 /nfs/dbraw/zinc/44/59/44/479445944.db2.gz MSKCLSMWXRHGCK-QGZVFWFLSA-N 1 3 333.520 2.655 20 0 EFADHO CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000602653405 479449736 /nfs/dbraw/zinc/44/97/36/479449736.db2.gz ZVRWUESENSGHHF-QGZVFWFLSA-N 1 3 341.455 2.803 20 0 EFADHO CN1CCO[C@@H]([C@H](NC2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000575740720 479464782 /nfs/dbraw/zinc/46/47/82/479464782.db2.gz DWMGBTCARYQLDI-OPQOLIRYSA-N 1 3 337.895 2.571 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@H](C2CCCCC2)[NH+](C)C)nc1 ZINC000575741777 479465100 /nfs/dbraw/zinc/46/51/00/479465100.db2.gz TWAJMEQYTUJYQU-QGZVFWFLSA-N 1 3 332.492 2.819 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000575744506 479466838 /nfs/dbraw/zinc/46/68/38/479466838.db2.gz ANDCAOSPHJUQCU-LJQANCHMSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604184438 479481818 /nfs/dbraw/zinc/48/18/18/479481818.db2.gz VCXSVKOYECWLAX-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000604188551 479482731 /nfs/dbraw/zinc/48/27/31/479482731.db2.gz AHRPBOJXLZJKBN-SFHVURJKSA-N 1 3 348.535 2.799 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000604188551 479482736 /nfs/dbraw/zinc/48/27/36/479482736.db2.gz AHRPBOJXLZJKBN-SFHVURJKSA-N 1 3 348.535 2.799 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602718258 479501318 /nfs/dbraw/zinc/50/13/18/479501318.db2.gz UKJHERBAUAHFOM-LSTDLKDCSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602718258 479501322 /nfs/dbraw/zinc/50/13/22/479501322.db2.gz UKJHERBAUAHFOM-LSTDLKDCSA-N 1 3 328.456 2.896 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1 ZINC000575935486 479507194 /nfs/dbraw/zinc/50/71/94/479507194.db2.gz UXSFPFVSQKRBLT-CGTJXYLNSA-N 1 3 347.503 2.902 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000575970660 479512706 /nfs/dbraw/zinc/51/27/06/479512706.db2.gz IHPNXZNUWXQHHY-HKUYNNGSSA-N 1 3 340.471 2.795 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000618664000 479541996 /nfs/dbraw/zinc/54/19/96/479541996.db2.gz OMECWZAYEXZJHA-LPHOPBHVSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000618664000 479542002 /nfs/dbraw/zinc/54/20/02/479542002.db2.gz OMECWZAYEXZJHA-LPHOPBHVSA-N 1 3 333.520 2.917 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000618664065 479542749 /nfs/dbraw/zinc/54/27/49/479542749.db2.gz OZONOROUSPRZCT-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000618664065 479542757 /nfs/dbraw/zinc/54/27/57/479542757.db2.gz OZONOROUSPRZCT-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CN(CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1 ZINC000576131940 479547640 /nfs/dbraw/zinc/54/76/40/479547640.db2.gz WEIKXUFANVGZFB-UHFFFAOYSA-N 1 3 338.455 2.586 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000604638714 479552272 /nfs/dbraw/zinc/55/22/72/479552272.db2.gz DXGYAPBUGOBYDF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000604638714 479552281 /nfs/dbraw/zinc/55/22/81/479552281.db2.gz DXGYAPBUGOBYDF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1C ZINC000600165190 479555803 /nfs/dbraw/zinc/55/58/03/479555803.db2.gz HOCXDKBZBTYANG-KRWDZBQOSA-N 1 3 347.503 2.972 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1C ZINC000600165190 479555808 /nfs/dbraw/zinc/55/58/08/479555808.db2.gz HOCXDKBZBTYANG-KRWDZBQOSA-N 1 3 347.503 2.972 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618984175 479659660 /nfs/dbraw/zinc/65/96/60/479659660.db2.gz SHMDZDCFSRCNMQ-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618984175 479659663 /nfs/dbraw/zinc/65/96/63/479659663.db2.gz SHMDZDCFSRCNMQ-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000606447611 479688024 /nfs/dbraw/zinc/68/80/24/479688024.db2.gz PLDNJTGQOABGQN-PXNSSMCTSA-N 1 3 339.483 2.870 20 0 EFADHO C[C@H]1C[C@@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000606447611 479688026 /nfs/dbraw/zinc/68/80/26/479688026.db2.gz PLDNJTGQOABGQN-PXNSSMCTSA-N 1 3 339.483 2.870 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621643505 479737041 /nfs/dbraw/zinc/73/70/41/479737041.db2.gz HCHUJEQYOVZZSS-INIZCTEOSA-N 1 3 344.503 2.911 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621652703 479737776 /nfs/dbraw/zinc/73/77/76/479737776.db2.gz DCJLNIPMCATNTI-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO NCc1cc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000621656451 479739798 /nfs/dbraw/zinc/73/97/98/479739798.db2.gz PFWAOIQJEHGQKS-LLVKDONJSA-N 1 3 329.366 2.882 20 0 EFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621667660 479745081 /nfs/dbraw/zinc/74/50/81/479745081.db2.gz JFBWWXDPGWGBGK-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CC1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000621681465 479750497 /nfs/dbraw/zinc/75/04/97/479750497.db2.gz SEULKXIIXZDUIF-WIYYLYMNSA-N 1 3 341.499 2.629 20 0 EFADHO C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1CO ZINC000621736989 479776494 /nfs/dbraw/zinc/77/64/94/479776494.db2.gz JWQFFJQJNLNUBZ-MJGOQNOKSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1CO ZINC000621736989 479776500 /nfs/dbraw/zinc/77/65/00/479776500.db2.gz JWQFFJQJNLNUBZ-MJGOQNOKSA-N 1 3 345.531 2.667 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000633343721 479779498 /nfs/dbraw/zinc/77/94/98/479779498.db2.gz SJNFCUPKGHYMMT-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000628188009 479804422 /nfs/dbraw/zinc/80/44/22/479804422.db2.gz KAWLINKRFVMBFQ-UHFFFAOYSA-N 1 3 341.503 2.553 20 0 EFADHO CN(C)CCN1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628201472 479810967 /nfs/dbraw/zinc/81/09/67/479810967.db2.gz HGIIKKFFLBFCIE-UHFFFAOYSA-N 1 3 343.437 2.864 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612963839 479820325 /nfs/dbraw/zinc/82/03/25/479820325.db2.gz LWRYLVWFGKNIBU-ROUUACIJSA-N 1 3 344.503 2.511 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612963838 479820643 /nfs/dbraw/zinc/82/06/43/479820643.db2.gz LWRYLVWFGKNIBU-QZTJIDSGSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C(F)(F)F ZINC000625287835 479850970 /nfs/dbraw/zinc/85/09/70/479850970.db2.gz NFWKRAKXRCULNX-UHFFFAOYSA-N 1 3 345.409 2.579 20 0 EFADHO COCCc1ncc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000631042945 479853542 /nfs/dbraw/zinc/85/35/42/479853542.db2.gz ODSJOQSRWONBRS-OAHLLOKOSA-N 1 3 325.522 2.934 20 0 EFADHO COCCc1ncc(CNCCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000631042945 479853549 /nfs/dbraw/zinc/85/35/49/479853549.db2.gz ODSJOQSRWONBRS-OAHLLOKOSA-N 1 3 325.522 2.934 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631569860 480160168 /nfs/dbraw/zinc/16/01/68/480160168.db2.gz NPTMAIWYDLIOLY-AEFFLSMTSA-N 1 3 349.519 2.771 20 0 EFADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000631581315 480165461 /nfs/dbraw/zinc/16/54/61/480165461.db2.gz LBCPJCAINMIJOZ-FOIQADDNSA-N 1 3 330.472 2.773 20 0 EFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3ncccc32)C1 ZINC000631616175 480183940 /nfs/dbraw/zinc/18/39/40/480183940.db2.gz GBBCKAANWWDIFP-WIYYLYMNSA-N 1 3 337.467 2.815 20 0 EFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3ncccc32)C1 ZINC000631616175 480183944 /nfs/dbraw/zinc/18/39/44/480183944.db2.gz GBBCKAANWWDIFP-WIYYLYMNSA-N 1 3 337.467 2.815 20 0 EFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)c1OC ZINC000631624116 480187098 /nfs/dbraw/zinc/18/70/98/480187098.db2.gz BPVOOVCYHRPNRT-KRWDZBQOSA-N 1 3 349.519 2.771 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631667796 480206328 /nfs/dbraw/zinc/20/63/28/480206328.db2.gz SCWJQFQGKAYSMA-BJLQDIEVSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631667796 480206330 /nfs/dbraw/zinc/20/63/30/480206330.db2.gz SCWJQFQGKAYSMA-BJLQDIEVSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631667796 480206333 /nfs/dbraw/zinc/20/63/33/480206333.db2.gz SCWJQFQGKAYSMA-BJLQDIEVSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]1C[C@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H](c2ccccc2)C1 ZINC000629407286 480245376 /nfs/dbraw/zinc/24/53/76/480245376.db2.gz YSWQIPWSRBCMEW-CAIZAGQASA-N 1 3 339.487 2.875 20 0 EFADHO CC1(c2ccccc2)CCC(NCc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407208 480245916 /nfs/dbraw/zinc/24/59/16/480245916.db2.gz XIGZJPDIIBRVMU-SYYJFZTOSA-N 1 3 339.487 2.803 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623357434 480249024 /nfs/dbraw/zinc/24/90/24/480249024.db2.gz OPXRMUDMOPUONS-GFCCVEGCSA-N 1 3 335.439 2.883 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)N1 ZINC000620903892 480266803 /nfs/dbraw/zinc/26/68/03/480266803.db2.gz IHZYTBBZRZIQRX-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(C)c(Br)cn1 ZINC000623443275 480286942 /nfs/dbraw/zinc/28/69/42/480286942.db2.gz XLMXOWTXPYVSOH-CQSZACIVSA-N 1 3 344.297 2.599 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000631827553 480288336 /nfs/dbraw/zinc/28/83/36/480288336.db2.gz QKDROFJUIXUFQV-ZAWLATJESA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521263 480293672 /nfs/dbraw/zinc/29/36/72/480293672.db2.gz OQQCWVRORMKARC-ZTFGCOKTSA-N 1 3 337.895 2.523 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000629532123 480296664 /nfs/dbraw/zinc/29/66/64/480296664.db2.gz MXPPLWKDGDREBG-JENIJYKNSA-N 1 3 333.520 2.632 20 0 EFADHO CCc1nc(C(C)C)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000629542116 480298534 /nfs/dbraw/zinc/29/85/34/480298534.db2.gz YMXDMBRWGKOSCH-XLIONFOSSA-N 1 3 343.515 2.968 20 0 EFADHO O=C1[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCCCC1 ZINC000629548779 480301024 /nfs/dbraw/zinc/30/10/24/480301024.db2.gz YCGQYOGWKCVUCD-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000629548901 480301546 /nfs/dbraw/zinc/30/15/46/480301546.db2.gz ZZRJQJYJKHJYJF-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC000629554991 480304104 /nfs/dbraw/zinc/30/41/04/480304104.db2.gz PIGVGLLWZSTATQ-MISYRCLQSA-N 1 3 334.504 2.855 20 0 EFADHO COc1cccc(C2(CNC[C@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629565114 480310381 /nfs/dbraw/zinc/31/03/81/480310381.db2.gz VHBKXSNKPVCYAF-SFHVURJKSA-N 1 3 332.488 2.553 20 0 EFADHO CN(CCOCC[NH3+])CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000629578919 480313429 /nfs/dbraw/zinc/31/34/29/480313429.db2.gz HKNKYZMCJIXILH-UHFFFAOYSA-N 1 3 341.455 2.589 20 0 EFADHO O[C@@H](CNCCn1c2ccccc2c2ccccc21)C[NH+]1CCCC1 ZINC000629576313 480314643 /nfs/dbraw/zinc/31/46/43/480314643.db2.gz XTSXRPDVOWQPPY-KRWDZBQOSA-N 1 3 337.467 2.841 20 0 EFADHO O[C@H](CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000629577397 480314724 /nfs/dbraw/zinc/31/47/24/480314724.db2.gz HOAHCKQIRRHIMP-DJIMGWMZSA-N 1 3 342.405 2.998 20 0 EFADHO C[C@@H]1CN(CCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)CCCO1 ZINC000623507369 480319725 /nfs/dbraw/zinc/31/97/25/480319725.db2.gz GDUZLIGAUCIKIO-CQSZACIVSA-N 1 3 341.446 2.621 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)C1 ZINC000629650355 480343713 /nfs/dbraw/zinc/34/37/13/480343713.db2.gz SDYSZHNLOYNAAG-GGPKGHCWSA-N 1 3 328.456 2.681 20 0 EFADHO CCc1ccc(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000629665751 480349864 /nfs/dbraw/zinc/34/98/64/480349864.db2.gz OOSCGOQZKIMHTA-SFHVURJKSA-N 1 3 343.515 2.626 20 0 EFADHO CN(CCOCC[NH3+])Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000629665743 480349935 /nfs/dbraw/zinc/34/99/35/480349935.db2.gz OTECUDABZOKOFD-UHFFFAOYSA-N 1 3 342.365 2.503 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2ccc([C@H]3CNCCO3)cc2)c1 ZINC000629701277 480362232 /nfs/dbraw/zinc/36/22/32/480362232.db2.gz UEXWKXVLJRGLPO-HXUWFJFHSA-N 1 3 326.440 2.955 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1)C(C)C ZINC000621152629 480362391 /nfs/dbraw/zinc/36/23/91/480362391.db2.gz ATUZVMQLLINRJK-LJQANCHMSA-N 1 3 331.504 2.987 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1)C(C)C ZINC000621152629 480362396 /nfs/dbraw/zinc/36/23/96/480362396.db2.gz ATUZVMQLLINRJK-LJQANCHMSA-N 1 3 331.504 2.987 20 0 EFADHO COc1ccc(CN2CC[C@H]2CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623641174 480374932 /nfs/dbraw/zinc/37/49/32/480374932.db2.gz LRUYOZGHRXJWPS-ROUUACIJSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(CN2CC[C@H]2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623641174 480374937 /nfs/dbraw/zinc/37/49/37/480374937.db2.gz LRUYOZGHRXJWPS-ROUUACIJSA-N 1 3 331.504 2.732 20 0 EFADHO C[NH2+]CCOc1ccc(-c2ccccc2CN2CCN(C)CC2)cc1 ZINC000629735070 480376362 /nfs/dbraw/zinc/37/63/62/480376362.db2.gz GYCNISFBSKPPSH-UHFFFAOYSA-N 1 3 339.483 2.699 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(c2ccncc2)CC1 ZINC000640445197 480383457 /nfs/dbraw/zinc/38/34/57/480383457.db2.gz FOEKAXXXWPFPKJ-IBGZPJMESA-N 1 3 342.487 2.527 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCN(c2ccncc2)CC1 ZINC000640445197 480383466 /nfs/dbraw/zinc/38/34/66/480383466.db2.gz FOEKAXXXWPFPKJ-IBGZPJMESA-N 1 3 342.487 2.527 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635455842 480391028 /nfs/dbraw/zinc/39/10/28/480391028.db2.gz HKCKLMAPVJDJJB-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN1CC[C@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)C1 ZINC000617865845 480398183 /nfs/dbraw/zinc/39/81/83/480398183.db2.gz SOJVMFKSPXPPHE-ZDUSSCGKSA-N 1 3 344.484 2.781 20 0 EFADHO CN1CC[C@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC000617865845 480398190 /nfs/dbraw/zinc/39/81/90/480398190.db2.gz SOJVMFKSPXPPHE-ZDUSSCGKSA-N 1 3 344.484 2.781 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000644519524 480410977 /nfs/dbraw/zinc/41/09/77/480410977.db2.gz YFVHTIUFBYRJQN-GOSISDBHSA-N 1 3 348.874 2.931 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000644526816 480417820 /nfs/dbraw/zinc/41/78/20/480417820.db2.gz ALTYDGIRKNBPGN-LJQANCHMSA-N 1 3 328.456 2.668 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2)c1 ZINC000644526816 480417830 /nfs/dbraw/zinc/41/78/30/480417830.db2.gz ALTYDGIRKNBPGN-LJQANCHMSA-N 1 3 328.456 2.668 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000644532063 480420557 /nfs/dbraw/zinc/42/05/57/480420557.db2.gz YFVCSDVAGJAESO-RTBURBONSA-N 1 3 334.504 2.753 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545351 480429319 /nfs/dbraw/zinc/42/93/19/480429319.db2.gz JDFVEGZLXAIFLD-VXKWHMMOSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545351 480429327 /nfs/dbraw/zinc/42/93/27/480429327.db2.gz JDFVEGZLXAIFLD-VXKWHMMOSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545351 480429338 /nfs/dbraw/zinc/42/93/38/480429338.db2.gz JDFVEGZLXAIFLD-VXKWHMMOSA-N 1 3 338.495 2.744 20 0 EFADHO C[C@H]1CC[C@@H](CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)O1 ZINC000634688223 480430546 /nfs/dbraw/zinc/43/05/46/480430546.db2.gz LZQMDXNKMHCBQZ-YOEHRIQHSA-N 1 3 332.492 2.624 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000635526173 480440291 /nfs/dbraw/zinc/44/02/91/480440291.db2.gz OAAJZUQJRMGUAJ-BHIYHBOVSA-N 1 3 344.503 2.640 20 0 EFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634713547 480455537 /nfs/dbraw/zinc/45/55/37/480455537.db2.gz XTMUHZMTRYONFK-PWRODBHTSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634713547 480455547 /nfs/dbraw/zinc/45/55/47/480455547.db2.gz XTMUHZMTRYONFK-PWRODBHTSA-N 1 3 340.442 2.908 20 0 EFADHO CC[C@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+](CC)CC ZINC000617978282 480459104 /nfs/dbraw/zinc/45/91/04/480459104.db2.gz XPKUWTBEWTXHTC-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(OCC)c2)[C@H](C)C1 ZINC000621336480 480459259 /nfs/dbraw/zinc/45/92/59/480459259.db2.gz ZZFNWUTZDPUJEM-VQIMIIECSA-N 1 3 335.492 2.707 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635556360 480459754 /nfs/dbraw/zinc/45/97/54/480459754.db2.gz PPZGAQFDTJRAKS-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC000635556360 480459760 /nfs/dbraw/zinc/45/97/60/480459760.db2.gz PPZGAQFDTJRAKS-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C1CCC1)c1cccc(OC)c1 ZINC000629944913 480462703 /nfs/dbraw/zinc/46/27/03/480462703.db2.gz ONXOURDSPBXJSR-LJQANCHMSA-N 1 3 347.503 2.679 20 0 EFADHO CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724534 480467870 /nfs/dbraw/zinc/46/78/70/480467870.db2.gz SDLBJTAQXOBSCX-SXLOBPIMSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724534 480467877 /nfs/dbraw/zinc/46/78/77/480467877.db2.gz SDLBJTAQXOBSCX-SXLOBPIMSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724534 480467885 /nfs/dbraw/zinc/46/78/85/480467885.db2.gz SDLBJTAQXOBSCX-SXLOBPIMSA-N 1 3 334.504 2.520 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635576840 480474703 /nfs/dbraw/zinc/47/47/03/480474703.db2.gz XRJMORQLUWTCED-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635576840 480474706 /nfs/dbraw/zinc/47/47/06/480474706.db2.gz XRJMORQLUWTCED-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CN(C)C1CCC1 ZINC000629972449 480484607 /nfs/dbraw/zinc/48/46/07/480484607.db2.gz PYYYWFBJTJCQGE-UHFFFAOYSA-N 1 3 337.533 2.903 20 0 EFADHO CN(CC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CCC1 ZINC000629991703 480498593 /nfs/dbraw/zinc/49/85/93/480498593.db2.gz HNWFEHFQJMPUEW-OAHLLOKOSA-N 1 3 337.895 2.586 20 0 EFADHO CCOCC[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000644651562 480498760 /nfs/dbraw/zinc/49/87/60/480498760.db2.gz ZLUKEAIACWVPOZ-UXHICEINSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000644651562 480498768 /nfs/dbraw/zinc/49/87/68/480498768.db2.gz ZLUKEAIACWVPOZ-UXHICEINSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651562 480498776 /nfs/dbraw/zinc/49/87/76/480498776.db2.gz ZLUKEAIACWVPOZ-UXHICEINSA-N 1 3 334.504 2.666 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629993642 480499423 /nfs/dbraw/zinc/49/94/23/480499423.db2.gz FHSGEHHCFCGCDU-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629993642 480499430 /nfs/dbraw/zinc/49/94/30/480499430.db2.gz FHSGEHHCFCGCDU-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO Cc1csc([C@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000623881039 480501203 /nfs/dbraw/zinc/50/12/03/480501203.db2.gz BHKMUHSIXMQVPK-INIZCTEOSA-N 1 3 345.516 2.709 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000638063971 480503306 /nfs/dbraw/zinc/50/33/06/480503306.db2.gz QJBNMECJXWDVMN-QSFXBCCZSA-N 1 3 345.487 2.624 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000638063971 480503312 /nfs/dbraw/zinc/50/33/12/480503312.db2.gz QJBNMECJXWDVMN-QSFXBCCZSA-N 1 3 345.487 2.624 20 0 EFADHO CO[C@@H](CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066411 480509297 /nfs/dbraw/zinc/50/92/97/480509297.db2.gz GUUCAAKRZMXPKC-CTNGQTDRSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066411 480509303 /nfs/dbraw/zinc/50/93/03/480509303.db2.gz GUUCAAKRZMXPKC-CTNGQTDRSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000638087563 480524388 /nfs/dbraw/zinc/52/43/88/480524388.db2.gz TXBDCMCDQVKWFV-QUCCMNQESA-N 1 3 345.487 2.768 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638111204 480539927 /nfs/dbraw/zinc/53/99/27/480539927.db2.gz LFVALQWUJSIBPP-MOPGFXCFSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638111204 480539935 /nfs/dbraw/zinc/53/99/35/480539935.db2.gz LFVALQWUJSIBPP-MOPGFXCFSA-N 1 3 331.504 2.730 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623966706 480546476 /nfs/dbraw/zinc/54/64/76/480546476.db2.gz LICARIYPCASGNR-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623966706 480546483 /nfs/dbraw/zinc/54/64/83/480546483.db2.gz LICARIYPCASGNR-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1Cc1ccccc1 ZINC000635674187 480553604 /nfs/dbraw/zinc/55/36/04/480553604.db2.gz BLEQNKHMOHNADY-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC([NH3+])CC1 ZINC000638129353 480556001 /nfs/dbraw/zinc/55/60/01/480556001.db2.gz AXYVEAKBVNLIQT-IPJUCJBFSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CCC([NH3+])CC1 ZINC000638129354 480556601 /nfs/dbraw/zinc/55/66/01/480556601.db2.gz AXYVEAKBVNLIQT-IVMQYODDSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CC3CCSCC3)CC2)CC1 ZINC000638151500 480568817 /nfs/dbraw/zinc/56/88/17/480568817.db2.gz DPOIRDVHZGBPPK-UHFFFAOYSA-N 1 3 325.566 2.620 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119810 480618717 /nfs/dbraw/zinc/61/87/17/480618717.db2.gz KDDBEBMJSNFSGS-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119810 480618723 /nfs/dbraw/zinc/61/87/23/480618723.db2.gz KDDBEBMJSNFSGS-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119810 480618730 /nfs/dbraw/zinc/61/87/30/480618730.db2.gz KDDBEBMJSNFSGS-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119894 480619276 /nfs/dbraw/zinc/61/92/76/480619276.db2.gz LUEFUOQOTJRKIC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119894 480619282 /nfs/dbraw/zinc/61/92/82/480619282.db2.gz LUEFUOQOTJRKIC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119894 480619287 /nfs/dbraw/zinc/61/92/87/480619287.db2.gz LUEFUOQOTJRKIC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(CC)CC[NH3+])c1ccc(Cl)cc1 ZINC000627033462 480630322 /nfs/dbraw/zinc/63/03/22/480630322.db2.gz KHLIOLHQMSWEJD-INIZCTEOSA-N 1 3 340.899 2.713 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)CC1 ZINC000638273058 480637110 /nfs/dbraw/zinc/63/71/10/480637110.db2.gz DSABNMCBWOMWSI-UHFFFAOYSA-N 1 3 332.488 2.550 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]CCOCCO)CCN(Cc2ccccc2)C1 ZINC000638291612 480647340 /nfs/dbraw/zinc/64/73/40/480647340.db2.gz RBUZUSZPAHNCBA-HXUWFJFHSA-N 1 3 334.504 2.523 20 0 EFADHO CC(C)(C)[C@@]1(CNCCOCCO)CC[N@H+](Cc2ccccc2)C1 ZINC000638291612 480647345 /nfs/dbraw/zinc/64/73/45/480647345.db2.gz RBUZUSZPAHNCBA-HXUWFJFHSA-N 1 3 334.504 2.523 20 0 EFADHO CC(C)(C)[C@@]1(CNCCOCCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000638291612 480647349 /nfs/dbraw/zinc/64/73/49/480647349.db2.gz RBUZUSZPAHNCBA-HXUWFJFHSA-N 1 3 334.504 2.523 20 0 EFADHO CO[C@@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000638311720 480659623 /nfs/dbraw/zinc/65/96/23/480659623.db2.gz ATMBMSSTIUIMBU-UXHICEINSA-N 1 3 332.488 2.814 20 0 EFADHO O=C1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1 ZINC000634960039 480663456 /nfs/dbraw/zinc/66/34/56/480663456.db2.gz IOJGVCHYCUWNPW-QGZVFWFLSA-N 1 3 349.906 2.810 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3nccnc3c2)C[C@H](C)O1 ZINC000634963292 480665171 /nfs/dbraw/zinc/66/51/71/480665171.db2.gz PDJWLUMYNRUCJZ-HOTGVXAUSA-N 1 3 328.460 2.609 20 0 EFADHO CC(C)OCC[NH+]1CCC(NCc2ccc3nccnc3c2)CC1 ZINC000634966406 480665963 /nfs/dbraw/zinc/66/59/63/480665963.db2.gz MALROOYCCXMAMV-UHFFFAOYSA-N 1 3 328.460 2.609 20 0 EFADHO CC(C)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Nc1ccccc1 ZINC000638333401 480669063 /nfs/dbraw/zinc/66/90/63/480669063.db2.gz UBGKETWBVXJXKV-IBGZPJMESA-N 1 3 333.520 2.948 20 0 EFADHO [NH3+]Cc1cn([C@@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000690 480681737 /nfs/dbraw/zinc/68/17/37/480681737.db2.gz SZGWRPJPAWMERN-QGZVFWFLSA-N 1 3 341.459 2.505 20 0 EFADHO NCc1cn([C@@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000690 480681740 /nfs/dbraw/zinc/68/17/40/480681740.db2.gz SZGWRPJPAWMERN-QGZVFWFLSA-N 1 3 341.459 2.505 20 0 EFADHO NCc1cn([C@@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000690 480681742 /nfs/dbraw/zinc/68/17/42/480681742.db2.gz SZGWRPJPAWMERN-QGZVFWFLSA-N 1 3 341.459 2.505 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638358698 480682039 /nfs/dbraw/zinc/68/20/39/480682039.db2.gz AHLSDQDKZJINLS-ZWKOTPCHSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)O[C@@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000638358733 480683049 /nfs/dbraw/zinc/68/30/49/480683049.db2.gz BKWVUYUQBNXMRI-FQEVSTJZSA-N 1 3 333.520 2.770 20 0 EFADHO COc1ccccc1C[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635005946 480683846 /nfs/dbraw/zinc/68/38/46/480683846.db2.gz ABIQHHYWJXVHIX-OAHLLOKOSA-N 1 3 326.444 2.543 20 0 EFADHO CCN1CCN(CCCC[NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000638360517 480684157 /nfs/dbraw/zinc/68/41/57/480684157.db2.gz SPJXYCGJHCBNPB-UHFFFAOYSA-N 1 3 333.520 2.851 20 0 EFADHO c1ccc2c(c1)CCSC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008954 480685200 /nfs/dbraw/zinc/68/52/00/480685200.db2.gz LJAXALCIQXAJRN-GOSISDBHSA-N 1 3 340.496 2.934 20 0 EFADHO Fc1ccc(F)c2c1CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008338 480685377 /nfs/dbraw/zinc/68/53/77/480685377.db2.gz IZFPXBTZVBDCFV-MRXNPFEDSA-N 1 3 330.382 2.869 20 0 EFADHO COC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(Cl)c1 ZINC000635011141 480686329 /nfs/dbraw/zinc/68/63/29/480686329.db2.gz MMSMPUZORSKFRF-KRWDZBQOSA-N 1 3 346.862 2.944 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638368536 480688518 /nfs/dbraw/zinc/68/85/18/480688518.db2.gz AEOGQOGCBMDKMN-IYBDPMFKSA-N 1 3 333.476 2.701 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638368536 480688523 /nfs/dbraw/zinc/68/85/23/480688523.db2.gz AEOGQOGCBMDKMN-IYBDPMFKSA-N 1 3 333.476 2.701 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000635013758 480688929 /nfs/dbraw/zinc/68/89/29/480688929.db2.gz IGMOARZYCCWMJE-YJLNNSPDSA-N 1 3 332.875 2.964 20 0 EFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cc(C)ns3)cc2)CC1 ZINC000638374757 480693338 /nfs/dbraw/zinc/69/33/38/480693338.db2.gz STCSGFKRWXVLTR-UHFFFAOYSA-N 1 3 344.528 2.879 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCN(C)CC(F)F ZINC000624324456 480708128 /nfs/dbraw/zinc/70/81/28/480708128.db2.gz LMMSRUFXEXTBAN-DOTOQJQBSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCN(C)CC(F)F ZINC000624324456 480708133 /nfs/dbraw/zinc/70/81/33/480708133.db2.gz LMMSRUFXEXTBAN-DOTOQJQBSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H]1[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000635935601 480714574 /nfs/dbraw/zinc/71/45/74/480714574.db2.gz NHLYOYRDHHGEMG-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000635114092 480731056 /nfs/dbraw/zinc/73/10/56/480731056.db2.gz MUCCFVUWSPMMAR-MRXNPFEDSA-N 1 3 349.544 2.979 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@]12CCCO2 ZINC000638453522 480732315 /nfs/dbraw/zinc/73/23/15/480732315.db2.gz DAJJRSNUPYBNMD-XUVXKRRUSA-N 1 3 336.520 2.957 20 0 EFADHO CN(CC(=O)NCc1ccccc1C[NH+]1CCCC1)CC(C)(C)C ZINC000635144844 480747390 /nfs/dbraw/zinc/74/73/90/480747390.db2.gz YHFVVKRFHCDZQI-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO [NH3+][C@H](CCC(=O)N1CCN(c2ccncc2)CC1)CC1CCCCC1 ZINC000645221535 480749412 /nfs/dbraw/zinc/74/94/12/480749412.db2.gz QHQFQLPWGOWAGA-GOSISDBHSA-N 1 3 344.503 2.808 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000638503578 480755541 /nfs/dbraw/zinc/75/55/41/480755541.db2.gz SEKCXQQTLQFTLP-RDJZCZTQSA-N 1 3 338.517 2.627 20 0 EFADHO CO[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000638522019 480763344 /nfs/dbraw/zinc/76/33/44/480763344.db2.gz UVTLFDVQFPZAIQ-CTNGQTDRSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522019 480763350 /nfs/dbraw/zinc/76/33/50/480763350.db2.gz UVTLFDVQFPZAIQ-CTNGQTDRSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522019 480763358 /nfs/dbraw/zinc/76/33/58/480763358.db2.gz UVTLFDVQFPZAIQ-CTNGQTDRSA-N 1 3 346.515 2.582 20 0 EFADHO Cn1cc(CCC[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000638521285 480764126 /nfs/dbraw/zinc/76/41/26/480764126.db2.gz FKEVWNOXYOPAEX-FQEVSTJZSA-N 1 3 326.488 2.507 20 0 EFADHO CC(C)O[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000638588417 480789025 /nfs/dbraw/zinc/78/90/25/480789025.db2.gz LOFLFKRDSPIKQU-CTNGQTDRSA-N 1 3 345.531 2.911 20 0 EFADHO O=C1C[C@@H](NCc2ccccc2C[NH+]2CCCCCC2)CCCN1 ZINC000638610450 480797480 /nfs/dbraw/zinc/79/74/80/480797480.db2.gz QRUUASBQQAFXQK-IBGZPJMESA-N 1 3 329.488 2.821 20 0 EFADHO CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCN(C)C1 ZINC000645342923 480802766 /nfs/dbraw/zinc/80/27/66/480802766.db2.gz FVTLLIROPCBPJB-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cccc(C[NH3+])c3)C2)cc1 ZINC000632949891 480817892 /nfs/dbraw/zinc/81/78/92/480817892.db2.gz WOCVSMFAPCSFCH-LJQANCHMSA-N 1 3 338.455 2.850 20 0 EFADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(-n2cccn2)cc1 ZINC000638693436 480831658 /nfs/dbraw/zinc/83/16/58/480831658.db2.gz SDUWEHUARDNZGI-MRXNPFEDSA-N 1 3 342.487 2.758 20 0 EFADHO CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638718137 480840239 /nfs/dbraw/zinc/84/02/39/480840239.db2.gz DSNABMDIQLUSLU-UZLBHIALSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000638720596 480841741 /nfs/dbraw/zinc/84/17/41/480841741.db2.gz SZGBYQBZCSRGNY-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638739964 480847926 /nfs/dbraw/zinc/84/79/26/480847926.db2.gz WDPFYZWUZSJGCW-UHFFFAOYSA-N 1 3 349.425 2.838 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(COc2ccccc2CN)nn1 ZINC000641169371 480849923 /nfs/dbraw/zinc/84/99/23/480849923.db2.gz LKHRARBIKVESRY-SFHVURJKSA-N 1 3 343.475 2.579 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1Cn1cc(COc2ccccc2CN)nn1 ZINC000641169371 480849926 /nfs/dbraw/zinc/84/99/26/480849926.db2.gz LKHRARBIKVESRY-SFHVURJKSA-N 1 3 343.475 2.579 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000645477379 480859320 /nfs/dbraw/zinc/85/93/20/480859320.db2.gz ODZXGPZGXRUZEL-QUCCMNQESA-N 1 3 343.515 2.717 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000641226968 480875872 /nfs/dbraw/zinc/87/58/72/480875872.db2.gz IQQUPXJMSPETIJ-ROUUACIJSA-N 1 3 344.503 2.562 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(C)C)cc1 ZINC000635438135 480876602 /nfs/dbraw/zinc/87/66/02/480876602.db2.gz XLEQKIFRWQSKLR-GOSISDBHSA-N 1 3 329.488 2.590 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000638807103 480877040 /nfs/dbraw/zinc/87/70/40/480877040.db2.gz PHTBLGKGFYWNAD-PXNSSMCTSA-N 1 3 346.515 2.979 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NCCOCc2ccc(Cl)cc2)CC1 ZINC000638808710 480879189 /nfs/dbraw/zinc/87/91/89/480879189.db2.gz LQPHKKIJBQXSDS-UHFFFAOYSA-N 1 3 340.895 2.682 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000645545874 480887473 /nfs/dbraw/zinc/88/74/73/480887473.db2.gz XIRBCSCPZLQOHO-IYBDPMFKSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000645545874 480887479 /nfs/dbraw/zinc/88/74/79/480887479.db2.gz XIRBCSCPZLQOHO-IYBDPMFKSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638854251 480898338 /nfs/dbraw/zinc/89/83/38/480898338.db2.gz OGZGAJOQKXZEHA-WDSOQIARSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638854251 480898342 /nfs/dbraw/zinc/89/83/42/480898342.db2.gz OGZGAJOQKXZEHA-WDSOQIARSA-N 1 3 331.504 2.634 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638877869 480905402 /nfs/dbraw/zinc/90/54/02/480905402.db2.gz QVBUXWLAVMDUEQ-UHFFFAOYSA-N 1 3 345.318 2.691 20 0 EFADHO Cc1nc(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000638950014 480919518 /nfs/dbraw/zinc/91/95/18/480919518.db2.gz LZEDBVCJIDEVDJ-SJLPKXTDSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638950014 480919519 /nfs/dbraw/zinc/91/95/19/480919519.db2.gz LZEDBVCJIDEVDJ-SJLPKXTDSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)cc1 ZINC000639005849 480929021 /nfs/dbraw/zinc/92/90/21/480929021.db2.gz PIKAOVSITMNHSR-CMKODMSKSA-N 1 3 329.488 2.593 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000639006327 480929305 /nfs/dbraw/zinc/92/93/05/480929305.db2.gz VVTZUEAIDLLJGD-PXNSSMCTSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCCN1 ZINC000639039113 480933915 /nfs/dbraw/zinc/93/39/15/480933915.db2.gz PYDHIWMQMHUBNV-UAFMIMERSA-N 1 3 341.499 2.545 20 0 EFADHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(F)c1 ZINC000639045437 480934755 /nfs/dbraw/zinc/93/47/55/480934755.db2.gz WMBHWNFJXOVNHJ-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3NCC3(C)C)ccc21 ZINC000645810741 480935410 /nfs/dbraw/zinc/93/54/10/480935410.db2.gz WNYHQEMHTNRQKN-GOSISDBHSA-N 1 3 342.487 2.920 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000647474817 480955186 /nfs/dbraw/zinc/95/51/86/480955186.db2.gz LCZCXPUCNFZVSM-HOTGVXAUSA-N 1 3 348.491 2.799 20 0 EFADHO COC[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC000639113233 480960038 /nfs/dbraw/zinc/96/00/38/480960038.db2.gz LKXWPZYZNABDPL-QGZVFWFLSA-N 1 3 340.895 2.852 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)N1 ZINC000639114794 480961587 /nfs/dbraw/zinc/96/15/87/480961587.db2.gz HIFJCBWESILTFN-YQVWRLOYSA-N 1 3 327.472 2.613 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)N1 ZINC000639114794 480961592 /nfs/dbraw/zinc/96/15/92/480961592.db2.gz HIFJCBWESILTFN-YQVWRLOYSA-N 1 3 327.472 2.613 20 0 EFADHO c1cc(OC[C@H]2CCCO2)ccc1C[N@H+](C1CC1)C1CCNCC1 ZINC000647482860 480961933 /nfs/dbraw/zinc/96/19/33/480961933.db2.gz DJUQFDPLEFSYSV-HXUWFJFHSA-N 1 3 330.472 2.961 20 0 EFADHO c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647482860 480961936 /nfs/dbraw/zinc/96/19/36/480961936.db2.gz DJUQFDPLEFSYSV-HXUWFJFHSA-N 1 3 330.472 2.961 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000639136709 480981036 /nfs/dbraw/zinc/98/10/36/480981036.db2.gz OWNIHMOUZWCBOJ-IAGOWNOFSA-N 1 3 337.552 2.728 20 0 EFADHO CN(c1ccccc1CN1CCC(C)([NH3+])CC1)C1CCN(C)CC1 ZINC000647531025 480985797 /nfs/dbraw/zinc/98/57/97/480985797.db2.gz WSHRRZCSRWEMSS-UHFFFAOYSA-N 1 3 330.520 2.530 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC000647543108 480993034 /nfs/dbraw/zinc/99/30/34/480993034.db2.gz HTTHOQKHZBSHJO-JKSUJKDBSA-N 1 3 332.444 2.636 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659916 481014978 /nfs/dbraw/zinc/01/49/78/481014978.db2.gz FVQCUNNXHMNGRJ-IRXDYDNUSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659916 481014986 /nfs/dbraw/zinc/01/49/86/481014986.db2.gz FVQCUNNXHMNGRJ-IRXDYDNUSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000666659796 481015105 /nfs/dbraw/zinc/01/51/05/481015105.db2.gz FHVZMCATEPUNFX-YLJYHZDGSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000666659796 481015116 /nfs/dbraw/zinc/01/51/16/481015116.db2.gz FHVZMCATEPUNFX-YLJYHZDGSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659907 481015962 /nfs/dbraw/zinc/01/59/62/481015962.db2.gz FVQCUNNXHMNGRJ-DLBZAZTESA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659907 481015968 /nfs/dbraw/zinc/01/59/68/481015968.db2.gz FVQCUNNXHMNGRJ-DLBZAZTESA-N 1 3 348.535 2.519 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000666659794 481016253 /nfs/dbraw/zinc/01/62/53/481016253.db2.gz FHVZMCATEPUNFX-PXNSSMCTSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000666659794 481016258 /nfs/dbraw/zinc/01/62/58/481016258.db2.gz FHVZMCATEPUNFX-PXNSSMCTSA-N 1 3 348.535 2.521 20 0 EFADHO CSc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000641712596 481025906 /nfs/dbraw/zinc/02/59/06/481025906.db2.gz LPSNZQRCZJORER-UHFFFAOYSA-N 1 3 346.500 2.698 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669323300 481053199 /nfs/dbraw/zinc/05/31/99/481053199.db2.gz KNERBPSCCHEDEP-BHIYHBOVSA-N 1 3 344.503 2.592 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653106881 481083924 /nfs/dbraw/zinc/08/39/24/481083924.db2.gz OYFFRFPLPZMBQH-QGZVFWFLSA-N 1 3 329.488 2.678 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653109936 481085365 /nfs/dbraw/zinc/08/53/65/481085365.db2.gz RZEKZRUCQCDRTR-RBUKOAKNSA-N 1 3 329.488 2.720 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000653112771 481087047 /nfs/dbraw/zinc/08/70/47/481087047.db2.gz JNMAKPXRPPPQHO-CYBMUJFWSA-N 1 3 339.867 2.609 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653114846 481089192 /nfs/dbraw/zinc/08/91/92/481089192.db2.gz YMWXNFXTOLRLEW-HNNXBMFYSA-N 1 3 330.476 2.521 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117440 481090571 /nfs/dbraw/zinc/09/05/71/481090571.db2.gz LYDJPOMUWSCWMW-UIAACRFSSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)NCc2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000669402842 481097935 /nfs/dbraw/zinc/09/79/35/481097935.db2.gz LFUHORAWIHAYTG-QRWLVFNGSA-N 1 3 344.503 2.600 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000669427456 481117356 /nfs/dbraw/zinc/11/73/56/481117356.db2.gz HGVMUAPRSXUJFV-RTBURBONSA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000669427436 481117794 /nfs/dbraw/zinc/11/77/94/481117794.db2.gz CEWVLWXNTXJIGE-RBUKOAKNSA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000669427435 481118064 /nfs/dbraw/zinc/11/80/64/481118064.db2.gz CEWVLWXNTXJIGE-OALUTQOASA-N 1 3 344.503 2.573 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000653165108 481120422 /nfs/dbraw/zinc/12/04/22/481120422.db2.gz PIXBSMZKEHJANK-HZSPNIEDSA-N 1 3 342.361 2.651 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647815002 481122811 /nfs/dbraw/zinc/12/28/11/481122811.db2.gz KRHJMGLQCITHSO-UHFFFAOYSA-N 1 3 331.460 2.630 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000647815002 481122817 /nfs/dbraw/zinc/12/28/17/481122817.db2.gz KRHJMGLQCITHSO-UHFFFAOYSA-N 1 3 331.460 2.630 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000647815002 481122822 /nfs/dbraw/zinc/12/28/22/481122822.db2.gz KRHJMGLQCITHSO-UHFFFAOYSA-N 1 3 331.460 2.630 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000641906776 481124552 /nfs/dbraw/zinc/12/45/52/481124552.db2.gz NTGFPNSSVRKLCQ-SFHVURJKSA-N 1 3 346.519 2.730 20 0 EFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647831027 481129600 /nfs/dbraw/zinc/12/96/00/481129600.db2.gz FNCZZNYFZRKGMP-HHXXYDBFSA-N 1 3 347.478 2.589 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639340202 481137365 /nfs/dbraw/zinc/13/73/65/481137365.db2.gz ICPJKRHTFQWBLG-QWFCFKBJSA-N 1 3 327.472 2.565 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639340202 481137373 /nfs/dbraw/zinc/13/73/73/481137373.db2.gz ICPJKRHTFQWBLG-QWFCFKBJSA-N 1 3 327.472 2.565 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194553 481141541 /nfs/dbraw/zinc/14/15/41/481141541.db2.gz MVLXJXNYELACJN-XOBRGWDASA-N 1 3 341.455 2.695 20 0 EFADHO CC[N@H+](CCCNC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC000653200316 481146972 /nfs/dbraw/zinc/14/69/72/481146972.db2.gz AKUZTHNTCLTKFD-UHFFFAOYSA-N 1 3 343.515 2.644 20 0 EFADHO CC[N@@H+](CCCNC(=O)C1(N)Cc2ccccc2C1)C1CCCCC1 ZINC000653200316 481146985 /nfs/dbraw/zinc/14/69/85/481146985.db2.gz AKUZTHNTCLTKFD-UHFFFAOYSA-N 1 3 343.515 2.644 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000669479683 481147224 /nfs/dbraw/zinc/14/72/24/481147224.db2.gz IWXGPXKPEQYZIY-NVXWUHKLSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669483648 481150089 /nfs/dbraw/zinc/15/00/89/481150089.db2.gz GDVJBSDWBGNIOL-QRQLOZEOSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)[C@@H](C)CN1 ZINC000669483717 481150512 /nfs/dbraw/zinc/15/05/12/481150512.db2.gz JWENQQYNTYXOLF-AOIWGVFYSA-N 1 3 344.503 2.605 20 0 EFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483604 481150526 /nfs/dbraw/zinc/15/05/26/481150526.db2.gz CXSWGBNRYQDPDO-QRQLOZEOSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483583 481150814 /nfs/dbraw/zinc/15/08/14/481150814.db2.gz BXNAOVJHZDADSI-AEFFLSMTSA-N 1 3 332.492 2.640 20 0 EFADHO O=C(NCC1CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483681 481151073 /nfs/dbraw/zinc/15/10/73/481151073.db2.gz HNHHVDSHVTWNDD-IBGZPJMESA-N 1 3 344.503 2.512 20 0 EFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359175 481151701 /nfs/dbraw/zinc/15/17/01/481151701.db2.gz IKJMFJZWJHAXBQ-JRGCBEDISA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359175 481151710 /nfs/dbraw/zinc/15/17/10/481151710.db2.gz IKJMFJZWJHAXBQ-JRGCBEDISA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359175 481151715 /nfs/dbraw/zinc/15/17/15/481151715.db2.gz IKJMFJZWJHAXBQ-JRGCBEDISA-N 1 3 346.515 2.786 20 0 EFADHO [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483818 481152320 /nfs/dbraw/zinc/15/23/20/481152320.db2.gz NYTGXLQYWYLMFB-RBUKOAKNSA-N 1 3 344.503 2.736 20 0 EFADHO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483997 481152354 /nfs/dbraw/zinc/15/23/54/481152354.db2.gz XUYYGAATIYLSIZ-OALUTQOASA-N 1 3 344.503 2.655 20 0 EFADHO [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483816 481152738 /nfs/dbraw/zinc/15/27/38/481152738.db2.gz NYTGXLQYWYLMFB-MOPGFXCFSA-N 1 3 344.503 2.736 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483771 481153167 /nfs/dbraw/zinc/15/31/67/481153167.db2.gz LZXZLYVSSWSRAM-SFHVURJKSA-N 1 3 346.519 2.840 20 0 EFADHO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483858 481153277 /nfs/dbraw/zinc/15/32/77/481153277.db2.gz PPXYRUYRRKPRID-IEBWSBKVSA-N 1 3 344.503 2.512 20 0 EFADHO O=C(c1ccsc1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647881206 481153918 /nfs/dbraw/zinc/15/39/18/481153918.db2.gz SKXCSRXWAXKGLB-UHFFFAOYSA-N 1 3 335.517 2.676 20 0 EFADHO CCN(CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000647885000 481155673 /nfs/dbraw/zinc/15/56/73/481155673.db2.gz VMOQMGSQVZMURB-LJQANCHMSA-N 1 3 329.488 2.894 20 0 EFADHO CN(CCCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000647886078 481157080 /nfs/dbraw/zinc/15/70/80/481157080.db2.gz OFAFSZIULPOMBA-IBGZPJMESA-N 1 3 329.488 2.894 20 0 EFADHO CC[C@H](Cc1cccs1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000646215694 481161748 /nfs/dbraw/zinc/16/17/48/481161748.db2.gz RHCWGUKHXVQQIS-MRXNPFEDSA-N 1 3 337.533 2.651 20 0 EFADHO COc1ccccc1[C@@H](N)CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000669508761 481170169 /nfs/dbraw/zinc/17/01/69/481170169.db2.gz NWRMCZHLFAAXCD-FUHWJXTLSA-N 1 3 341.455 2.537 20 0 EFADHO CC1CCC(N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000646230451 481170329 /nfs/dbraw/zinc/17/03/29/481170329.db2.gz WEFJJLRZVAOELU-UHFFFAOYSA-N 1 3 344.503 2.551 20 0 EFADHO CC[C@@]1(O)CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000639385298 481176118 /nfs/dbraw/zinc/17/61/18/481176118.db2.gz PXCMZIVIKHYHMA-OAQYLSRUSA-N 1 3 345.531 2.954 20 0 EFADHO CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000639385298 481176129 /nfs/dbraw/zinc/17/61/29/481176129.db2.gz PXCMZIVIKHYHMA-OAQYLSRUSA-N 1 3 345.531 2.954 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000669519928 481176572 /nfs/dbraw/zinc/17/65/72/481176572.db2.gz XNLQQLGUMINUQG-GBESFXJTSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000669519571 481176623 /nfs/dbraw/zinc/17/66/23/481176623.db2.gz IVGMXVBTCZNHOQ-DSLXNQLJSA-N 1 3 329.488 2.561 20 0 EFADHO O=C(c1cccn1C1CC[NH2+]CC1)N1CCN(C2CCCCC2)CC1 ZINC000646251260 481182769 /nfs/dbraw/zinc/18/27/69/481182769.db2.gz HUHGINOBMGXWTO-UHFFFAOYSA-N 1 3 344.503 2.503 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000669530016 481184801 /nfs/dbraw/zinc/18/48/01/481184801.db2.gz NUAIQOZBEFGHEE-QZTJIDSGSA-N 1 3 332.492 2.640 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000669530250 481185421 /nfs/dbraw/zinc/18/54/21/481185421.db2.gz XWIBGAKMYSSIAB-MOPGFXCFSA-N 1 3 346.519 2.983 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000664341946 481189306 /nfs/dbraw/zinc/18/93/06/481189306.db2.gz NXHBRWUEJHZCRW-ZIFCJYIRSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000647938749 481200329 /nfs/dbraw/zinc/20/03/29/481200329.db2.gz SZMXXESZFLOYBO-RISCZKNCSA-N 1 3 327.831 2.867 20 0 EFADHO CC[C@@H]1CN(C)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000646281351 481202409 /nfs/dbraw/zinc/20/24/09/481202409.db2.gz HWILDHOIVOSNGD-LJQANCHMSA-N 1 3 331.504 2.687 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000647960019 481211125 /nfs/dbraw/zinc/21/11/25/481211125.db2.gz ZYGDSEOIFKCLBH-INIZCTEOSA-N 1 3 328.884 2.742 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000647960019 481211133 /nfs/dbraw/zinc/21/11/33/481211133.db2.gz ZYGDSEOIFKCLBH-INIZCTEOSA-N 1 3 328.884 2.742 20 0 EFADHO CCOc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950796 481215057 /nfs/dbraw/zinc/21/50/57/481215057.db2.gz IKQQMIIWHFQENA-OAHLLOKOSA-N 1 3 326.387 2.918 20 0 EFADHO COc1ccc(Br)cc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950787 481215078 /nfs/dbraw/zinc/21/50/78/481215078.db2.gz HVMRHPQCSMRDBD-AWEZNQCLSA-N 1 3 325.250 2.689 20 0 EFADHO Brc1cc2c(c(CN[C@H]3CC34CC[NH2+]CC4)c1)OCC2 ZINC000666954358 481216341 /nfs/dbraw/zinc/21/63/41/481216341.db2.gz VGFHDXBXCWKBQO-AWEZNQCLSA-N 1 3 337.261 2.616 20 0 EFADHO Cn1c(CN[C@H]2CC23CC[NH2+]CC3)nc2cc(C(F)(F)F)ccc21 ZINC000666952268 481216580 /nfs/dbraw/zinc/21/65/80/481216580.db2.gz NOMFZWSYEASOQA-AWEZNQCLSA-N 1 3 338.377 2.824 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C[C@H](C)O1 ZINC000647966222 481219372 /nfs/dbraw/zinc/21/93/72/481219372.db2.gz GSWNHDIBVFXXFP-HNJRGHQBSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975143 481225210 /nfs/dbraw/zinc/22/52/10/481225210.db2.gz MRNSVXMAGVLGDM-NEWSRXKRSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975652 481227443 /nfs/dbraw/zinc/22/74/43/481227443.db2.gz DCFVKXIOVQRYEB-VOUKYHDCSA-N 1 3 335.536 2.781 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975601 481229061 /nfs/dbraw/zinc/22/90/61/481229061.db2.gz CNQZTPDUJMXANN-IAGOWNOFSA-N 1 3 342.487 2.844 20 0 EFADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[C@@H]1C ZINC000647975276 481229364 /nfs/dbraw/zinc/22/93/64/481229364.db2.gz UIUZRNWPYMBYIH-QQXKLLMISA-N 1 3 335.536 2.639 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976660 481230447 /nfs/dbraw/zinc/23/04/47/481230447.db2.gz RRSMINHUFZLDEJ-QRVBRYPASA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977119 481230621 /nfs/dbraw/zinc/23/06/21/481230621.db2.gz XYVIOTVPBUOKQA-KURKYZTESA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000647976598 481231197 /nfs/dbraw/zinc/23/11/97/481231197.db2.gz QRLXIWMIDWKFRT-CGTJXYLNSA-N 1 3 347.478 2.715 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976349 481231322 /nfs/dbraw/zinc/23/13/22/481231322.db2.gz NHXKKSHQIIGFPR-HOJAQTOUSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976047 481231853 /nfs/dbraw/zinc/23/18/53/481231853.db2.gz JGPRNFVKAHLERE-ZRSRNVLSSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000647976600 481232278 /nfs/dbraw/zinc/23/22/78/481232278.db2.gz QRLXIWMIDWKFRT-RYQLBKOJSA-N 1 3 347.478 2.715 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000647977793 481233914 /nfs/dbraw/zinc/23/39/14/481233914.db2.gz HRHKBSBWFKWNOJ-DLBZAZTESA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977254 481234279 /nfs/dbraw/zinc/23/42/79/481234279.db2.gz ZQQJMCZDMNOSCH-ICSRJNTNSA-N 1 3 343.515 2.665 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000647977979 481234716 /nfs/dbraw/zinc/23/47/16/481234716.db2.gz KMTUNSGWIQFMQT-WSTZPKSXSA-N 1 3 341.499 2.894 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978752 481235825 /nfs/dbraw/zinc/23/58/25/481235825.db2.gz XQPROIQVVWVJJC-RBUKOAKNSA-N 1 3 329.488 2.600 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995300 481243369 /nfs/dbraw/zinc/24/33/69/481243369.db2.gz JUYXGTKIIVMKIR-HXUWFJFHSA-N 1 3 327.516 2.958 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995462 481244336 /nfs/dbraw/zinc/24/43/36/481244336.db2.gz OLDVFIKUJSOCRS-HOCLYGCPSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995462 481244346 /nfs/dbraw/zinc/24/43/46/481244346.db2.gz OLDVFIKUJSOCRS-HOCLYGCPSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995463 481244536 /nfs/dbraw/zinc/24/45/36/481244536.db2.gz OLDVFIKUJSOCRS-ZBFHGGJFSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000666995463 481244542 /nfs/dbraw/zinc/24/45/42/481244542.db2.gz OLDVFIKUJSOCRS-ZBFHGGJFSA-N 1 3 331.460 2.677 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000646381123 481262576 /nfs/dbraw/zinc/26/25/76/481262576.db2.gz IJEBNNXVONGNCA-OALUTQOASA-N 1 3 329.488 2.600 20 0 EFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000667026798 481264021 /nfs/dbraw/zinc/26/40/21/481264021.db2.gz AOEUQDNAXRHJEN-DJIMGWMZSA-N 1 3 335.879 2.580 20 0 EFADHO Cc1cc2cc(C[N@@H+]3CCC[C@@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000667040474 481270828 /nfs/dbraw/zinc/27/08/28/481270828.db2.gz SHTFOQYBLCRNEN-QGZVFWFLSA-N 1 3 339.443 2.937 20 0 EFADHO Cc1cc2cc(C[N@H+]3CCC[C@@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000667040474 481270838 /nfs/dbraw/zinc/27/08/38/481270838.db2.gz SHTFOQYBLCRNEN-QGZVFWFLSA-N 1 3 339.443 2.937 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000667041800 481272364 /nfs/dbraw/zinc/27/23/64/481272364.db2.gz VJDLBEPYHNJNRA-MOPGFXCFSA-N 1 3 340.471 2.795 20 0 EFADHO CCOc1cc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705781 481273088 /nfs/dbraw/zinc/27/30/88/481273088.db2.gz VTPWWTHVPMRNLG-LNLFQRSKSA-N 1 3 348.487 2.812 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)C1 ZINC000650706406 481275342 /nfs/dbraw/zinc/27/53/42/481275342.db2.gz JTTNBHYHIIKMKE-ZHALLVOQSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC000650706406 481275351 /nfs/dbraw/zinc/27/53/51/481275351.db2.gz JTTNBHYHIIKMKE-ZHALLVOQSA-N 1 3 340.471 2.795 20 0 EFADHO CCCn1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650706173 481275650 /nfs/dbraw/zinc/27/56/50/481275650.db2.gz FQVMGOKSIFJVGN-SCTDSRPQSA-N 1 3 334.508 2.628 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)C1 ZINC000650706405 481275869 /nfs/dbraw/zinc/27/58/69/481275869.db2.gz JTTNBHYHIIKMKE-YQVWRLOYSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC000650706405 481275877 /nfs/dbraw/zinc/27/58/77/481275877.db2.gz JTTNBHYHIIKMKE-YQVWRLOYSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cccc4c3OCCCO4)C2)C1 ZINC000650706272 481276262 /nfs/dbraw/zinc/27/62/62/481276262.db2.gz HSNIOLMNDAJVKM-KVSKMBFKSA-N 1 3 346.471 2.566 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707387 481276683 /nfs/dbraw/zinc/27/66/83/481276683.db2.gz DZEGGMQXFUDTAH-TXPKVOOTSA-N 1 3 336.451 2.943 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc4ccccc4c3)C2)C1 ZINC000650708250 481278343 /nfs/dbraw/zinc/27/83/43/481278343.db2.gz WHPWFOKVFJWHPJ-GGPKGHCWSA-N 1 3 325.456 2.953 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000646410238 481280802 /nfs/dbraw/zinc/28/08/02/481280802.db2.gz ZJOSGAORTKKZOL-RTBURBONSA-N 1 3 341.499 2.720 20 0 EFADHO C[C@@H]1CCCN(Cc2ccc(OCc3nccn3C)cc2)[C@H]1CC[NH3+] ZINC000650711336 481280873 /nfs/dbraw/zinc/28/08/73/481280873.db2.gz QBBXUJMDHNQEPD-APWZRJJASA-N 1 3 342.487 2.948 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650717512 481284786 /nfs/dbraw/zinc/28/47/86/481284786.db2.gz CRJYGHXFAUYXIU-OAHLLOKOSA-N 1 3 343.446 2.512 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)C1 ZINC000650722310 481289584 /nfs/dbraw/zinc/28/95/84/481289584.db2.gz PFASCALHYMIHTJ-RLLQIKCJSA-N 1 3 340.471 2.733 20 0 EFADHO Cc1cccc2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)n21 ZINC000650723795 481293160 /nfs/dbraw/zinc/29/31/60/481293160.db2.gz UEAQEHRVCDYARY-JQHSSLGASA-N 1 3 328.460 2.504 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650725067 481294807 /nfs/dbraw/zinc/29/48/07/481294807.db2.gz SNWCHGLXEUNKRH-IPMKNSEASA-N 1 3 346.519 2.787 20 0 EFADHO Fc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000650741179 481307031 /nfs/dbraw/zinc/30/70/31/481307031.db2.gz ZPAJPDRXZKSJIQ-ZYSHUDEJSA-N 1 3 332.463 2.994 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000643076730 481307389 /nfs/dbraw/zinc/30/73/89/481307389.db2.gz KHBSDIPLZIJLSN-ROUUACIJSA-N 1 3 329.488 2.548 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000643076730 481307399 /nfs/dbraw/zinc/30/73/99/481307399.db2.gz KHBSDIPLZIJLSN-ROUUACIJSA-N 1 3 329.488 2.548 20 0 EFADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000653541069 481314865 /nfs/dbraw/zinc/31/48/65/481314865.db2.gz BYJKXHDYEAZXBO-IBGZPJMESA-N 1 3 332.488 2.679 20 0 EFADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000653541069 481314872 /nfs/dbraw/zinc/31/48/72/481314872.db2.gz BYJKXHDYEAZXBO-IBGZPJMESA-N 1 3 332.488 2.679 20 0 EFADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659283647 481333686 /nfs/dbraw/zinc/33/36/86/481333686.db2.gz AIFXAMKMEJXDCX-ZWKOTPCHSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1ccc2nccc(N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664595451 481357891 /nfs/dbraw/zinc/35/78/91/481357891.db2.gz BVUBWJDGQVGLEI-QGZVFWFLSA-N 1 3 325.456 2.833 20 0 EFADHO CCc1ccc2nccc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664595451 481357900 /nfs/dbraw/zinc/35/79/00/481357900.db2.gz BVUBWJDGQVGLEI-QGZVFWFLSA-N 1 3 325.456 2.833 20 0 EFADHO C[C@H](NC(=O)C1(N)CC2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318498 481358954 /nfs/dbraw/zinc/35/89/54/481358954.db2.gz CYVIRDIQBLRFQU-WMZOPIPTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@H](NC(=O)C1(N)CC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318498 481358962 /nfs/dbraw/zinc/35/89/62/481358962.db2.gz CYVIRDIQBLRFQU-WMZOPIPTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659324378 481363072 /nfs/dbraw/zinc/36/30/72/481363072.db2.gz MYOAUCGOUSAEHK-HBGVWJBISA-N 1 3 349.478 2.858 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659324378 481363080 /nfs/dbraw/zinc/36/30/80/481363080.db2.gz MYOAUCGOUSAEHK-HBGVWJBISA-N 1 3 349.478 2.858 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(N(C)C)c3)CC2)CC1 ZINC000643255234 481365173 /nfs/dbraw/zinc/36/51/73/481365173.db2.gz VDSMDHCSXSTBEG-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(N(C)C)c3)CC2)CC1 ZINC000643255234 481365181 /nfs/dbraw/zinc/36/51/81/481365181.db2.gz VDSMDHCSXSTBEG-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H]3CCN(CC4CC4)C3)ccc21 ZINC000653618195 481366506 /nfs/dbraw/zinc/36/65/06/481366506.db2.gz PHROYXQDCFAXQX-IEBWSBKVSA-N 1 3 342.487 2.841 20 0 EFADHO Cc1cc(NC(=O)CC(C)(C)[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000646542126 481368041 /nfs/dbraw/zinc/36/80/41/481368041.db2.gz UNVSSQNQRUBTSU-UHFFFAOYSA-N 1 3 332.492 2.591 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000661859532 481375574 /nfs/dbraw/zinc/37/55/74/481375574.db2.gz ZYJMLYONAOEBON-HKUYNNGSSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000661859532 481375579 /nfs/dbraw/zinc/37/55/79/481375579.db2.gz ZYJMLYONAOEBON-HKUYNNGSSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000661859534 481375625 /nfs/dbraw/zinc/37/56/25/481375625.db2.gz ZYJMLYONAOEBON-MJGOQNOKSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000661859534 481375630 /nfs/dbraw/zinc/37/56/30/481375630.db2.gz ZYJMLYONAOEBON-MJGOQNOKSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC000646568024 481382944 /nfs/dbraw/zinc/38/29/44/481382944.db2.gz PXQLMHYZDPRIQW-MRXNPFEDSA-N 1 3 345.487 2.503 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661899415 481402671 /nfs/dbraw/zinc/40/26/71/481402671.db2.gz WTJLZOVOBIPXRF-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661899415 481402680 /nfs/dbraw/zinc/40/26/80/481402680.db2.gz WTJLZOVOBIPXRF-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000646627178 481408915 /nfs/dbraw/zinc/40/89/15/481408915.db2.gz VRMNCKAVECGYMV-GOSISDBHSA-N 1 3 338.455 2.652 20 0 EFADHO CC[NH2+]CCCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000646625130 481409879 /nfs/dbraw/zinc/40/98/79/481409879.db2.gz QZHMSOHSWXGYLZ-QGZVFWFLSA-N 1 3 347.503 2.669 20 0 EFADHO Cn1ncc2ccc(CNCc3ccc(OCC[NH+](C)C)cc3)cc21 ZINC000643336776 481417361 /nfs/dbraw/zinc/41/73/61/481417361.db2.gz MMGUBYQZUMMMBX-UHFFFAOYSA-N 1 3 338.455 2.804 20 0 EFADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1F ZINC000639682573 481424817 /nfs/dbraw/zinc/42/48/17/481424817.db2.gz YRFRUKBPPQKCAG-UHFFFAOYSA-N 1 3 342.418 2.762 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683515 481425007 /nfs/dbraw/zinc/42/50/07/481425007.db2.gz ITVQZQCNENGAON-FXAWDEMLSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683515 481425016 /nfs/dbraw/zinc/42/50/16/481425016.db2.gz ITVQZQCNENGAON-FXAWDEMLSA-N 1 3 325.456 2.758 20 0 EFADHO C[NH+](C)C1CCC(N[C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000643349806 481427186 /nfs/dbraw/zinc/42/71/86/481427186.db2.gz HDMNMHNONSSRNF-ZBCRRDGASA-N 1 3 340.464 2.507 20 0 EFADHO c1cc(N2CCCN(Cc3ccc4c(c3)OCCO4)CC2)cc[nH+]1 ZINC000639706419 481442693 /nfs/dbraw/zinc/44/26/93/481442693.db2.gz YQTFCAZMNARZIN-UHFFFAOYSA-N 1 3 325.412 2.565 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000661952816 481442875 /nfs/dbraw/zinc/44/28/75/481442875.db2.gz IJKRFYXPGLVKFS-QGZVFWFLSA-N 1 3 336.524 2.567 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000659455691 481447545 /nfs/dbraw/zinc/44/75/45/481447545.db2.gz CFDMNCDOURHZJU-KRWDZBQOSA-N 1 3 332.492 2.592 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CCCC1 ZINC000659456370 481447867 /nfs/dbraw/zinc/44/78/67/481447867.db2.gz LLMFVMXKSPCKQY-GOSISDBHSA-N 1 3 344.503 2.784 20 0 EFADHO Cc1nc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n[nH]1 ZINC000639725929 481461475 /nfs/dbraw/zinc/46/14/75/481461475.db2.gz MVIUODBHGCWQBV-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000659491162 481467033 /nfs/dbraw/zinc/46/70/33/481467033.db2.gz FKAINKZIXZAHDO-QGZVFWFLSA-N 1 3 346.519 2.666 20 0 EFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000643452039 481473492 /nfs/dbraw/zinc/47/34/92/481473492.db2.gz PZXXBLHLXYDXJG-BRSBDYLESA-N 1 3 330.472 2.899 20 0 EFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000643452041 481473773 /nfs/dbraw/zinc/47/37/73/481473773.db2.gz PZXXBLHLXYDXJG-XMTFNYHQSA-N 1 3 330.472 2.899 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453141 481474208 /nfs/dbraw/zinc/47/42/08/481474208.db2.gz JNDPVSCHRBKQEC-DACLVMHWSA-N 1 3 337.895 2.508 20 0 EFADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643457594 481475638 /nfs/dbraw/zinc/47/56/38/481475638.db2.gz PHCUNIRYOCGSEW-RYQLBKOJSA-N 1 3 332.488 2.720 20 0 EFADHO COc1ccc([C@H](N[C@@H]2CCN(CC3CC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643462733 481477922 /nfs/dbraw/zinc/47/79/22/481477922.db2.gz JIGRLRJEFNEOSZ-HOJAQTOUSA-N 1 3 329.488 2.562 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000643462268 481478999 /nfs/dbraw/zinc/47/89/99/481478999.db2.gz SMELIQBLWCVYAK-BEVDRBHNSA-N 1 3 341.455 2.503 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637367088 481483551 /nfs/dbraw/zinc/48/35/51/481483551.db2.gz IKFBEWQRVBBSJV-QRQLOZEOSA-N 1 3 348.535 2.662 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369330 481488296 /nfs/dbraw/zinc/48/82/96/481488296.db2.gz YDWJEVHWDVXXLJ-ICSRJNTNSA-N 1 3 348.535 2.521 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369330 481488301 /nfs/dbraw/zinc/48/83/01/481488301.db2.gz YDWJEVHWDVXXLJ-ICSRJNTNSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000637373733 481490405 /nfs/dbraw/zinc/49/04/05/481490405.db2.gz RFAPFCKTLDVEPR-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000637373733 481490414 /nfs/dbraw/zinc/49/04/14/481490414.db2.gz RFAPFCKTLDVEPR-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000643543768 481500581 /nfs/dbraw/zinc/50/05/81/481500581.db2.gz PSYRLKIODCFVNP-KXBFYZLASA-N 1 3 336.443 2.793 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000664866560 481526238 /nfs/dbraw/zinc/52/62/38/481526238.db2.gz DSCYHNFHYLEZNW-ZIFCJYIRSA-N 1 3 346.519 2.770 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000664866560 481526242 /nfs/dbraw/zinc/52/62/42/481526242.db2.gz DSCYHNFHYLEZNW-ZIFCJYIRSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000664869202 481530422 /nfs/dbraw/zinc/53/04/22/481530422.db2.gz LNRCCQMJYIYLHI-NUJGCVRESA-N 1 3 334.508 2.626 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648426524 481537747 /nfs/dbraw/zinc/53/77/47/481537747.db2.gz BGGKIPWHLJJMMG-RMFSNUHRSA-N 1 3 345.531 2.870 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000653936348 481544632 /nfs/dbraw/zinc/54/46/32/481544632.db2.gz RQWYVTCHQDHPMZ-QZTJIDSGSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000653936348 481544644 /nfs/dbraw/zinc/54/46/44/481544644.db2.gz RQWYVTCHQDHPMZ-QZTJIDSGSA-N 1 3 330.476 2.887 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648450530 481555802 /nfs/dbraw/zinc/55/58/02/481555802.db2.gz RGFBOTUPTKCSAA-RDTXWAMCSA-N 1 3 337.458 2.826 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc3cc(Cl)cnc3o2)CC1 ZINC000648472275 481567863 /nfs/dbraw/zinc/56/78/63/481567863.db2.gz LTWCEGRBSIQRMK-UHFFFAOYSA-N 1 3 337.851 2.806 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000637497975 481568714 /nfs/dbraw/zinc/56/87/14/481568714.db2.gz IARHZIPRFXCHFB-IBGZPJMESA-N 1 3 346.519 2.901 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000637497976 481569046 /nfs/dbraw/zinc/56/90/46/481569046.db2.gz IARHZIPRFXCHFB-LJQANCHMSA-N 1 3 346.519 2.901 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476330 481571329 /nfs/dbraw/zinc/57/13/29/481571329.db2.gz VIIATIUKBLAXDZ-IAGOWNOFSA-N 1 3 349.862 2.949 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659845692 481590807 /nfs/dbraw/zinc/59/08/07/481590807.db2.gz AIDVRAUWIXEHMZ-ROUUACIJSA-N 1 3 325.541 2.540 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659845692 481590813 /nfs/dbraw/zinc/59/08/13/481590813.db2.gz AIDVRAUWIXEHMZ-ROUUACIJSA-N 1 3 325.541 2.540 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647008997 481599958 /nfs/dbraw/zinc/59/99/58/481599958.db2.gz XFKNHTLUQKVQQZ-MOPGFXCFSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647064222 481623693 /nfs/dbraw/zinc/62/36/93/481623693.db2.gz MAHXLSMUZVAVFI-IAGOWNOFSA-N 1 3 347.503 2.797 20 0 EFADHO C[NH2+]CCCN(C)C(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647090270 481631307 /nfs/dbraw/zinc/63/13/07/481631307.db2.gz AHKROUXYBNYOKR-QGZVFWFLSA-N 1 3 347.503 2.621 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@](C)(CC)c2ccc(F)cc2)CC1 ZINC000639930048 481634191 /nfs/dbraw/zinc/63/41/91/481634191.db2.gz SFEDWKJVEWCMGX-LJQANCHMSA-N 1 3 335.467 2.641 20 0 EFADHO COc1ccc(-c2noc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000643895250 481635300 /nfs/dbraw/zinc/63/53/00/481635300.db2.gz IBLFTABYJRTQPW-CQSZACIVSA-N 1 3 342.443 2.709 20 0 EFADHO C[C@@H]1CN(CC[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000659945687 481660027 /nfs/dbraw/zinc/66/00/27/481660027.db2.gz BXBHVMBPFAYMQS-VAMGGRTRSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CN(CC[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000659945687 481660031 /nfs/dbraw/zinc/66/00/31/481660031.db2.gz BXBHVMBPFAYMQS-VAMGGRTRSA-N 1 3 345.531 2.692 20 0 EFADHO COc1ccc(CCC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662248828 481664063 /nfs/dbraw/zinc/66/40/63/481664063.db2.gz KFUBBRAYIGJYCD-FQEVSTJZSA-N 1 3 344.499 2.861 20 0 EFADHO O=C(NC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1)c1ccccc1 ZINC000662249102 481664795 /nfs/dbraw/zinc/66/47/95/481664795.db2.gz OZOBLGWEECZREK-UHFFFAOYSA-N 1 3 349.478 2.727 20 0 EFADHO NC(=O)c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC000662252094 481667794 /nfs/dbraw/zinc/66/77/94/481667794.db2.gz MATBOWIWYMKRNS-UHFFFAOYSA-N 1 3 335.451 2.596 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1OC ZINC000647172520 481681046 /nfs/dbraw/zinc/68/10/46/481681046.db2.gz YVORNDAQVIKPDN-RDJZCZTQSA-N 1 3 336.476 2.683 20 0 EFADHO Fc1cccc([C@@H]2CNCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662271100 481681474 /nfs/dbraw/zinc/68/14/74/481681474.db2.gz FGVNTKBITRXIEH-FQEVSTJZSA-N 1 3 325.431 2.618 20 0 EFADHO Fc1cccc([C@H]2CNCCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662271103 481681760 /nfs/dbraw/zinc/68/17/60/481681760.db2.gz FGVNTKBITRXIEH-HXUWFJFHSA-N 1 3 325.431 2.618 20 0 EFADHO Clc1ccccc1OC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276097 481683836 /nfs/dbraw/zinc/68/38/36/481683836.db2.gz FOEHCWPLGPXUJA-HNNXBMFYSA-N 1 3 336.863 2.704 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279506 481685721 /nfs/dbraw/zinc/68/57/21/481685721.db2.gz KRXOYCOVTVZKSJ-JZXOWHBKSA-N 1 3 330.472 2.989 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279506 481685727 /nfs/dbraw/zinc/68/57/27/481685727.db2.gz KRXOYCOVTVZKSJ-JZXOWHBKSA-N 1 3 330.472 2.989 20 0 EFADHO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000662281426 481688954 /nfs/dbraw/zinc/68/89/54/481688954.db2.gz KLPJQTYIMAFXAX-GOSISDBHSA-N 1 3 327.476 2.871 20 0 EFADHO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)c1 ZINC000662281426 481688960 /nfs/dbraw/zinc/68/89/60/481688960.db2.gz KLPJQTYIMAFXAX-GOSISDBHSA-N 1 3 327.476 2.871 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290112 481690588 /nfs/dbraw/zinc/69/05/88/481690588.db2.gz KBWHOYNJEGCZDC-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662285774 481691038 /nfs/dbraw/zinc/69/10/38/481691038.db2.gz MZJNMGUUGDXSNZ-MJGOQNOKSA-N 1 3 330.472 2.613 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662285774 481691042 /nfs/dbraw/zinc/69/10/42/481691042.db2.gz MZJNMGUUGDXSNZ-MJGOQNOKSA-N 1 3 330.472 2.613 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290914 481692928 /nfs/dbraw/zinc/69/29/28/481692928.db2.gz NBSRBXSZDQPRBA-KRWDZBQOSA-N 1 3 342.487 2.844 20 0 EFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292035 481695060 /nfs/dbraw/zinc/69/50/60/481695060.db2.gz LDKXADKVXNHKNG-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CN1CCC([C@H]2CCC[NH2+]C2)CC1)N(C1CC1)C1CCCC1 ZINC000662291173 481695375 /nfs/dbraw/zinc/69/53/75/481695375.db2.gz CPVCVDNJEHTBRA-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(CN1CCC([C@@H]2CCC[NH2+]C2)CC1)N(C1CC1)C1CCCC1 ZINC000662291174 481695467 /nfs/dbraw/zinc/69/54/67/481695467.db2.gz CPVCVDNJEHTBRA-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291962 481695603 /nfs/dbraw/zinc/69/56/03/481695603.db2.gz ZTGTZWSRLCKHRM-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291987 481695640 /nfs/dbraw/zinc/69/56/40/481695640.db2.gz ZWOFCSXLAVAQDX-ZMMAXQRCSA-N 1 3 335.536 2.591 20 0 EFADHO Cn1cc(-c2nc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)cn1 ZINC000662293773 481698229 /nfs/dbraw/zinc/69/82/29/481698229.db2.gz NRCNIAANXWOTDN-OAHLLOKOSA-N 1 3 345.516 2.755 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(CC[C@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012337 481700780 /nfs/dbraw/zinc/70/07/80/481700780.db2.gz SUYBXUZPGMOUIN-UWWQBHOKSA-N 1 3 345.512 2.906 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(CC[C@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012337 481700785 /nfs/dbraw/zinc/70/07/85/481700785.db2.gz SUYBXUZPGMOUIN-UWWQBHOKSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC[C@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012337 481700791 /nfs/dbraw/zinc/70/07/91/481700791.db2.gz SUYBXUZPGMOUIN-UWWQBHOKSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC[C@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012337 481700799 /nfs/dbraw/zinc/70/07/99/481700799.db2.gz SUYBXUZPGMOUIN-UWWQBHOKSA-N 1 3 345.512 2.906 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@H](C3CC[NH2+]CC3)C2)nc2ccccc21 ZINC000662296465 481703074 /nfs/dbraw/zinc/70/30/74/481703074.db2.gz KQLPHKUCANZLJH-INIZCTEOSA-N 1 3 340.471 2.590 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295897 481703378 /nfs/dbraw/zinc/70/33/78/481703378.db2.gz IQGDBFBVFLTXLY-YJBOKZPZSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000662297555 481704958 /nfs/dbraw/zinc/70/49/58/481704958.db2.gz RFTYJENFYKYQIP-QAPCUYQASA-N 1 3 347.478 2.715 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000662297559 481705191 /nfs/dbraw/zinc/70/51/91/481705191.db2.gz RFTYJENFYKYQIP-YJBOKZPZSA-N 1 3 347.478 2.715 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000662297553 481706018 /nfs/dbraw/zinc/70/60/18/481706018.db2.gz RFTYJENFYKYQIP-MAUKXSAKSA-N 1 3 347.478 2.715 20 0 EFADHO OCc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000647229651 481714747 /nfs/dbraw/zinc/71/47/47/481714747.db2.gz IOOQZVFPVDRBRW-UHFFFAOYSA-N 1 3 340.467 2.943 20 0 EFADHO C[C@@H]1CCCN(Cc2csc(-c3cnn(C)c3)n2)[C@@H]1CCC[NH3+] ZINC000662311964 481715475 /nfs/dbraw/zinc/71/54/75/481715475.db2.gz DWSNZABWXNASHX-CZUORRHYSA-N 1 3 333.505 2.883 20 0 EFADHO C[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)[C@@H]1CCC[NH3+] ZINC000662313379 481717059 /nfs/dbraw/zinc/71/70/59/481717059.db2.gz LKDZUFDXMYOLRG-RHSMWYFYSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)[C@@H]1CCC[NH3+] ZINC000662312967 481717584 /nfs/dbraw/zinc/71/75/84/481717584.db2.gz COTCZELGEWYOSX-RHSMWYFYSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@@H+]1C ZINC000648755610 481719045 /nfs/dbraw/zinc/71/90/45/481719045.db2.gz MXMWTXSTIURJQG-CRAIPNDOSA-N 1 3 347.528 2.557 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[N@H+]1C ZINC000648755610 481719054 /nfs/dbraw/zinc/71/90/54/481719054.db2.gz MXMWTXSTIURJQG-CRAIPNDOSA-N 1 3 347.528 2.557 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000662316967 481720501 /nfs/dbraw/zinc/72/05/01/481720501.db2.gz XSHGWAPDJRLCKZ-RHSMWYFYSA-N 1 3 337.533 2.766 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1 ZINC000662336124 481734262 /nfs/dbraw/zinc/73/42/62/481734262.db2.gz VHVJBTLFUDHBBG-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1 ZINC000662336124 481734277 /nfs/dbraw/zinc/73/42/77/481734277.db2.gz VHVJBTLFUDHBBG-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648787208 481741072 /nfs/dbraw/zinc/74/10/72/481741072.db2.gz IPIKGBNTNHEHGM-GPMSIDNRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648787208 481741075 /nfs/dbraw/zinc/74/10/75/481741075.db2.gz IPIKGBNTNHEHGM-GPMSIDNRSA-N 1 3 329.488 2.668 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1CNC2 ZINC000662355009 481747312 /nfs/dbraw/zinc/74/73/12/481747312.db2.gz BQYLSKRDBCTEMT-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000665253572 481749626 /nfs/dbraw/zinc/74/96/26/481749626.db2.gz WCPPLWDCIZRQNA-OZSDWXKXSA-N 1 3 335.442 2.625 20 0 EFADHO CC1CCC(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)CC1 ZINC000667728365 481765967 /nfs/dbraw/zinc/76/59/67/481765967.db2.gz SCZFGRZQDPHSBR-UHFFFAOYSA-N 1 3 330.476 2.874 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCN3CCCCCC3)cc21 ZINC000662380320 481771142 /nfs/dbraw/zinc/77/11/42/481771142.db2.gz JLLNYCZEYGNERD-SFHVURJKSA-N 1 3 329.488 2.671 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662388506 481779214 /nfs/dbraw/zinc/77/92/14/481779214.db2.gz MAHZCNQZCKCIRO-UHFFFAOYSA-N 1 3 335.517 2.636 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662389416 481780405 /nfs/dbraw/zinc/78/04/05/481780405.db2.gz XDYCBRKBGXCCNX-QAPCUYQASA-N 1 3 329.488 2.527 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662403012 481786437 /nfs/dbraw/zinc/78/64/37/481786437.db2.gz RLLPSECJNCCUHU-ZIFCJYIRSA-N 1 3 331.504 2.949 20 0 EFADHO CCN1CC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000660151017 481787589 /nfs/dbraw/zinc/78/75/89/481787589.db2.gz XBWBHOLEXZIQMH-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CCN1CC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000660151017 481787598 /nfs/dbraw/zinc/78/75/98/481787598.db2.gz XBWBHOLEXZIQMH-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662403350 481788538 /nfs/dbraw/zinc/78/85/38/481788538.db2.gz VAEXLAGWDBEMAO-YJBOKZPZSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662403350 481788544 /nfs/dbraw/zinc/78/85/44/481788544.db2.gz VAEXLAGWDBEMAO-YJBOKZPZSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662405138 481788625 /nfs/dbraw/zinc/78/86/25/481788625.db2.gz WTQQJJLJWYKDGI-JTDSTZFVSA-N 1 3 343.515 2.915 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1 ZINC000667769553 481795532 /nfs/dbraw/zinc/79/55/32/481795532.db2.gz JMVZUZAKEOFONA-UHFFFAOYSA-N 1 3 339.443 2.545 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662429201 481801868 /nfs/dbraw/zinc/80/18/68/481801868.db2.gz KQUDVCNVVTUCEW-OAHLLOKOSA-N 1 3 335.517 2.778 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662429201 481801877 /nfs/dbraw/zinc/80/18/77/481801877.db2.gz KQUDVCNVVTUCEW-OAHLLOKOSA-N 1 3 335.517 2.778 20 0 EFADHO C[N@H+](CCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000651491441 481806751 /nfs/dbraw/zinc/80/67/51/481806751.db2.gz OZUUIYVDPYNAGT-INIZCTEOSA-N 1 3 340.464 2.508 20 0 EFADHO C[N@@H+](CCCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000651491441 481806758 /nfs/dbraw/zinc/80/67/58/481806758.db2.gz OZUUIYVDPYNAGT-INIZCTEOSA-N 1 3 340.464 2.508 20 0 EFADHO CC1(C)CC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC(C)(C)[NH2+]1 ZINC000654346080 481807163 /nfs/dbraw/zinc/80/71/63/481807163.db2.gz JEUOBYXFXCYFHG-HZPDHXFCSA-N 1 3 336.524 2.612 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000648894265 481813783 /nfs/dbraw/zinc/81/37/83/481813783.db2.gz UDCPPEABESFQCH-BHIYHBOVSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000648894265 481813793 /nfs/dbraw/zinc/81/37/93/481813793.db2.gz UDCPPEABESFQCH-BHIYHBOVSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662453612 481813986 /nfs/dbraw/zinc/81/39/86/481813986.db2.gz CVAAPBCHYOVUOG-HNNXBMFYSA-N 1 3 329.488 2.920 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662453612 481813993 /nfs/dbraw/zinc/81/39/93/481813993.db2.gz CVAAPBCHYOVUOG-HNNXBMFYSA-N 1 3 329.488 2.920 20 0 EFADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+](C)Cc1ccccc1 ZINC000662455578 481814038 /nfs/dbraw/zinc/81/40/38/481814038.db2.gz YIFDLUUJZQAALN-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000662455578 481814046 /nfs/dbraw/zinc/81/40/46/481814046.db2.gz YIFDLUUJZQAALN-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000654380303 481837524 /nfs/dbraw/zinc/83/75/24/481837524.db2.gz CNRTZCXKLJRGJB-OALUTQOASA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000662504658 481846066 /nfs/dbraw/zinc/84/60/66/481846066.db2.gz KVEBEQPWDVCJSE-KRWDZBQOSA-N 1 3 337.483 2.727 20 0 EFADHO CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000662503859 481846451 /nfs/dbraw/zinc/84/64/51/481846451.db2.gz YPMZRNPCZUYGRU-SFHVURJKSA-N 1 3 335.451 2.636 20 0 EFADHO C[C@@H](NC(=O)c1cccc2c1CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662514603 481853062 /nfs/dbraw/zinc/85/30/62/481853062.db2.gz PLUYSPSEMJXBHB-VQIMIIECSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H](NC(=O)c1cccc2c1CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662514603 481853069 /nfs/dbraw/zinc/85/30/69/481853069.db2.gz PLUYSPSEMJXBHB-VQIMIIECSA-N 1 3 349.478 2.930 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc2c1CNC2 ZINC000662524237 481858465 /nfs/dbraw/zinc/85/84/65/481858465.db2.gz KAIUCGLSVACIIT-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000662524591 481858632 /nfs/dbraw/zinc/85/86/32/481858632.db2.gz MMRCCFUSGRHPED-LJQANCHMSA-N 1 3 327.472 2.698 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000662587505 481889136 /nfs/dbraw/zinc/88/91/36/481889136.db2.gz GHWVPKBUYWDLQM-MOPGFXCFSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662592281 481891392 /nfs/dbraw/zinc/89/13/92/481891392.db2.gz IRCOBDLUHJAGRF-NVXWUHKLSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662592281 481891396 /nfs/dbraw/zinc/89/13/96/481891396.db2.gz IRCOBDLUHJAGRF-NVXWUHKLSA-N 1 3 331.504 2.949 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654474581 481891991 /nfs/dbraw/zinc/89/19/91/481891991.db2.gz RBANVPUYPTWZTK-OALUTQOASA-N 1 3 348.535 2.710 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662619557 481902545 /nfs/dbraw/zinc/90/25/45/481902545.db2.gz MMXQAKJFZWPVGJ-SJORKVTESA-N 1 3 329.488 2.668 20 0 EFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662660067 481921578 /nfs/dbraw/zinc/92/15/78/481921578.db2.gz XUSPXGDQNGRBFG-NRFANRHFSA-N 1 3 349.478 2.679 20 0 EFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662660067 481921582 /nfs/dbraw/zinc/92/15/82/481921582.db2.gz XUSPXGDQNGRBFG-NRFANRHFSA-N 1 3 349.478 2.679 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000660379996 481924522 /nfs/dbraw/zinc/92/45/22/481924522.db2.gz XIHCMXUXKBFDOG-KRWDZBQOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000662668516 481924605 /nfs/dbraw/zinc/92/46/05/481924605.db2.gz NTZXEBKJPGMBQI-WDYCEAGBSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000662668516 481924608 /nfs/dbraw/zinc/92/46/08/481924608.db2.gz NTZXEBKJPGMBQI-WDYCEAGBSA-N 1 3 329.488 2.846 20 0 EFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000651733582 481925534 /nfs/dbraw/zinc/92/55/34/481925534.db2.gz MOWFOKQQBFVVMM-RCCFBDPRSA-N 1 3 326.525 2.795 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1cccc(OC)c1 ZINC000662670429 481925669 /nfs/dbraw/zinc/92/56/69/481925669.db2.gz KKRGJOQBCIBZIA-QZTJIDSGSA-N 1 3 347.503 2.582 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662669087 481925801 /nfs/dbraw/zinc/92/58/01/481925801.db2.gz UZNGUYAWGABEGE-LPHOPBHVSA-N 1 3 327.472 2.744 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662669087 481925807 /nfs/dbraw/zinc/92/58/07/481925807.db2.gz UZNGUYAWGABEGE-LPHOPBHVSA-N 1 3 327.472 2.744 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc2c1CCNC2 ZINC000662670226 481926004 /nfs/dbraw/zinc/92/60/04/481926004.db2.gz VSZDTVLTTFKZER-UHFFFAOYSA-N 1 3 349.478 2.858 20 0 EFADHO CCN1CCC(N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662673725 481927206 /nfs/dbraw/zinc/92/72/06/481927206.db2.gz QSDLLFAHBPIZDH-QGZVFWFLSA-N 1 3 329.488 2.622 20 0 EFADHO CC[C@@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)N1CCc2ccccc2C1 ZINC000662680748 481930809 /nfs/dbraw/zinc/93/08/09/481930809.db2.gz XIJUJYJMCXCLQE-SFHVURJKSA-N 1 3 341.499 2.601 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000662679241 481930870 /nfs/dbraw/zinc/93/08/70/481930870.db2.gz NNAHFEWYHLTERR-IBGZPJMESA-N 1 3 329.488 2.573 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cccc3c2CCC3)ccn1 ZINC000651755709 481934095 /nfs/dbraw/zinc/93/40/95/481934095.db2.gz ZBQKQEJQDAERSY-UHFFFAOYSA-N 1 3 325.456 2.801 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N2CCCC2)cc1 ZINC000662701675 481941076 /nfs/dbraw/zinc/94/10/76/481941076.db2.gz SCAUFXUHWQNPMK-GOSISDBHSA-N 1 3 341.499 2.910 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416837 481945838 /nfs/dbraw/zinc/94/58/38/481945838.db2.gz XHJMIQNKSVDZOB-YOEHRIQHSA-N 1 3 333.501 2.906 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416837 481945843 /nfs/dbraw/zinc/94/58/43/481945843.db2.gz XHJMIQNKSVDZOB-YOEHRIQHSA-N 1 3 333.501 2.906 20 0 EFADHO NC(=O)CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000662733002 481953417 /nfs/dbraw/zinc/95/34/17/481953417.db2.gz AXUJSJBGEIVHRX-UHFFFAOYSA-N 1 3 329.488 2.902 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662744929 481957013 /nfs/dbraw/zinc/95/70/13/481957013.db2.gz AMBOQLVURSSNDL-HNNXBMFYSA-N 1 3 329.366 2.537 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662745015 481957066 /nfs/dbraw/zinc/95/70/66/481957066.db2.gz CQHNSEOTBWUURW-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO C[C@@H](C[NH3+])C(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662760445 481961960 /nfs/dbraw/zinc/96/19/60/481961960.db2.gz WMQLCVAIPKWSIB-QFBILLFUSA-N 1 3 343.515 2.730 20 0 EFADHO CC[C@@H]([NH2+]C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000662792561 481971515 /nfs/dbraw/zinc/97/15/15/481971515.db2.gz WLGXFBFATQAQPT-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO c1ncn(C[C@H]2CCCN2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000662795753 481973061 /nfs/dbraw/zinc/97/30/61/481973061.db2.gz WHVITKFQXWNSAW-HXUWFJFHSA-N 1 3 339.487 2.929 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095461 481975108 /nfs/dbraw/zinc/97/51/08/481975108.db2.gz JUTLPSQTFBIDIM-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095461 481975110 /nfs/dbraw/zinc/97/51/10/481975110.db2.gz JUTLPSQTFBIDIM-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000668114896 481983357 /nfs/dbraw/zinc/98/33/57/481983357.db2.gz JBFNLAMXSFXLTI-PXNSSMCTSA-N 1 3 330.472 2.817 20 0 EFADHO CC(C)N1CCCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662824258 481985775 /nfs/dbraw/zinc/98/57/75/481985775.db2.gz ZVNAVKDQCFUROY-SFHVURJKSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910313 481998572 /nfs/dbraw/zinc/99/85/72/481998572.db2.gz PBGCUKURHRHQSU-AEFFLSMTSA-N 1 3 344.565 2.977 20 0 EFADHO CC[N@@H+](CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910313 481998577 /nfs/dbraw/zinc/99/85/77/481998577.db2.gz PBGCUKURHRHQSU-AEFFLSMTSA-N 1 3 344.565 2.977 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000654713747 482009078 /nfs/dbraw/zinc/00/90/78/482009078.db2.gz UDDHHOHCVTUMLB-CALCHBBNSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000649287956 482012662 /nfs/dbraw/zinc/01/26/62/482012662.db2.gz SYWXGYYNJDJJEE-LJQANCHMSA-N 1 3 329.488 2.608 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654726388 482015957 /nfs/dbraw/zinc/01/59/57/482015957.db2.gz ZZWBSGLTZDWESY-MSOLQXFVSA-N 1 3 336.524 2.615 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727464 482016796 /nfs/dbraw/zinc/01/67/96/482016796.db2.gz NPYONLOSRUVXIT-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654728791 482017615 /nfs/dbraw/zinc/01/76/15/482017615.db2.gz BBDWEJFQJCPIHI-BZSNNMDCSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654728791 482017624 /nfs/dbraw/zinc/01/76/24/482017624.db2.gz BBDWEJFQJCPIHI-BZSNNMDCSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000649308911 482023565 /nfs/dbraw/zinc/02/35/65/482023565.db2.gz HAMHVGKGLMIZCM-KRWDZBQOSA-N 1 3 335.517 2.609 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654733414 482023789 /nfs/dbraw/zinc/02/37/89/482023789.db2.gz VCHOLHNTQMZJNI-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654732869 482024469 /nfs/dbraw/zinc/02/44/69/482024469.db2.gz IIVNIEHFFUIZSO-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663001245 482030558 /nfs/dbraw/zinc/03/05/58/482030558.db2.gz RXKRBVPNNHCGGG-KVSKMBFKSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663001245 482030564 /nfs/dbraw/zinc/03/05/64/482030564.db2.gz RXKRBVPNNHCGGG-KVSKMBFKSA-N 1 3 329.488 2.561 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCC(C)(C)[NH3+] ZINC000649345127 482036107 /nfs/dbraw/zinc/03/61/07/482036107.db2.gz MBGLXFSUDCZORH-SFHVURJKSA-N 1 3 331.504 2.875 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000668223430 482041030 /nfs/dbraw/zinc/04/10/30/482041030.db2.gz FLZAAYZYMALOOH-UXDRXVOSSA-N 1 3 332.488 2.858 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000668223430 482041032 /nfs/dbraw/zinc/04/10/32/482041032.db2.gz FLZAAYZYMALOOH-UXDRXVOSSA-N 1 3 332.488 2.858 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCC1 ZINC000649364156 482042500 /nfs/dbraw/zinc/04/25/00/482042500.db2.gz YSTBQJOCPINVGP-GUDVDZBRSA-N 1 3 335.536 2.735 20 0 EFADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000649370583 482045932 /nfs/dbraw/zinc/04/59/32/482045932.db2.gz SFECNOPPLMAIDG-IBGZPJMESA-N 1 3 341.499 2.690 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635821 482061651 /nfs/dbraw/zinc/06/16/51/482061651.db2.gz MMZBJOVACQMFPE-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635821 482061653 /nfs/dbraw/zinc/06/16/53/482061653.db2.gz MMZBJOVACQMFPE-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635823 482061843 /nfs/dbraw/zinc/06/18/43/482061843.db2.gz MMZBJOVACQMFPE-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635823 482061845 /nfs/dbraw/zinc/06/18/45/482061845.db2.gz MMZBJOVACQMFPE-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO FC(F)(F)c1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411321 482066529 /nfs/dbraw/zinc/06/65/29/482066529.db2.gz IBYUQACPQQIQJU-OAHLLOKOSA-N 1 3 341.421 2.823 20 0 EFADHO c1cc2c(ncnc2N2CCN(CCCC3CC[NH2+]CC3)CC2)s1 ZINC000649411355 482066623 /nfs/dbraw/zinc/06/66/23/482066623.db2.gz NAJOFKNKEPFZBJ-UHFFFAOYSA-N 1 3 345.516 2.593 20 0 EFADHO FC(F)(F)c1ccc(CN2CCCN(C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411292 482066705 /nfs/dbraw/zinc/06/67/05/482066705.db2.gz DSDLYFYXGZQZRW-MRXNPFEDSA-N 1 3 341.421 2.823 20 0 EFADHO c1cc2ncnc(N3CCN(CCCC4CC[NH2+]CC4)CC3)c2s1 ZINC000649413566 482066750 /nfs/dbraw/zinc/06/67/50/482066750.db2.gz JVCBZOYDPKQTNA-UHFFFAOYSA-N 1 3 345.516 2.593 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417825 482069638 /nfs/dbraw/zinc/06/96/38/482069638.db2.gz IXGJJZLGUNPLAI-HLLBOEOZSA-N 1 3 341.459 2.904 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000652119421 482082373 /nfs/dbraw/zinc/08/23/73/482082373.db2.gz CTHBZJSLGIXOTK-LJQANCHMSA-N 1 3 346.519 2.758 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000652119420 482082544 /nfs/dbraw/zinc/08/25/44/482082544.db2.gz CTHBZJSLGIXOTK-IBGZPJMESA-N 1 3 346.519 2.758 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000652119737 482083245 /nfs/dbraw/zinc/08/32/45/482083245.db2.gz WYKRVPGQGJRUKX-LJQANCHMSA-N 1 3 346.519 2.541 20 0 EFADHO CCCC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000654894903 482088192 /nfs/dbraw/zinc/08/81/92/482088192.db2.gz VSZTWDXVXKUQGT-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000652191165 482119821 /nfs/dbraw/zinc/11/98/21/482119821.db2.gz MEEXTBZBXRHGTF-APWZRJJASA-N 1 3 346.519 2.675 20 0 EFADHO CCCCCN(CCNC(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652200175 482123563 /nfs/dbraw/zinc/12/35/63/482123563.db2.gz RLEJJWRTDCISPW-UHFFFAOYSA-N 1 3 346.519 2.730 20 0 EFADHO Cc1cncc(CC[N@H+](C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000649572825 482135467 /nfs/dbraw/zinc/13/54/67/482135467.db2.gz KIKJBJABXIVBLH-UHFFFAOYSA-N 1 3 339.487 2.961 20 0 EFADHO Cc1cncc(CC[N@@H+](C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000649572825 482135472 /nfs/dbraw/zinc/13/54/72/482135472.db2.gz KIKJBJABXIVBLH-UHFFFAOYSA-N 1 3 339.487 2.961 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CCC4)CC3)CC2)CC1 ZINC000655075034 482152543 /nfs/dbraw/zinc/15/25/43/482152543.db2.gz BWMYEYMIMIKTLJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@H]3C3CC3)CC2)CC1 ZINC000655092408 482159413 /nfs/dbraw/zinc/15/94/13/482159413.db2.gz SNNHIKFNRJZAMG-LJQANCHMSA-N 1 3 347.547 2.830 20 0 EFADHO FC(F)(F)CN1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345565 482173297 /nfs/dbraw/zinc/17/32/97/482173297.db2.gz LBQJMRJKTABCKU-HNNXBMFYSA-N 1 3 333.442 2.725 20 0 EFADHO CN(C)CCOc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347511 482173470 /nfs/dbraw/zinc/17/34/70/482173470.db2.gz MTGNFRZCFIDPFB-FQEVSTJZSA-N 1 3 345.531 2.839 20 0 EFADHO CN(C)CCOc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347511 482173474 /nfs/dbraw/zinc/17/34/74/482173474.db2.gz MTGNFRZCFIDPFB-FQEVSTJZSA-N 1 3 345.531 2.839 20 0 EFADHO CCOc1ccccc1OCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347631 482184070 /nfs/dbraw/zinc/18/40/70/482184070.db2.gz HMOYVXSIGYLOFH-SQGPQFPESA-N 1 3 348.487 2.682 20 0 EFADHO CC(C)COc1ccccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000649696258 482193581 /nfs/dbraw/zinc/19/35/81/482193581.db2.gz JBWRFMMRNICYLX-UHFFFAOYSA-N 1 3 333.520 2.839 20 0 EFADHO CC(C)COc1ccccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000649696258 482193586 /nfs/dbraw/zinc/19/35/86/482193586.db2.gz JBWRFMMRNICYLX-UHFFFAOYSA-N 1 3 333.520 2.839 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000666139286 482193733 /nfs/dbraw/zinc/19/37/33/482193733.db2.gz JIVZMIYDEGEZHP-MRXNPFEDSA-N 1 3 348.491 2.541 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000666139286 482193740 /nfs/dbraw/zinc/19/37/40/482193740.db2.gz JIVZMIYDEGEZHP-MRXNPFEDSA-N 1 3 348.491 2.541 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000668660987 482204701 /nfs/dbraw/zinc/20/47/01/482204701.db2.gz JHGMHDMNBWCXFV-QGZVFWFLSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@]1(C)CO ZINC000668739223 482241038 /nfs/dbraw/zinc/24/10/38/482241038.db2.gz NANDTZURNZWPQF-LAUBAEHRSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@]1(C)CO ZINC000668739223 482241043 /nfs/dbraw/zinc/24/10/43/482241043.db2.gz NANDTZURNZWPQF-LAUBAEHRSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@]1(C)CO ZINC000668739220 482241408 /nfs/dbraw/zinc/24/14/08/482241408.db2.gz NANDTZURNZWPQF-DYESRHJHSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@]1(C)CO ZINC000668739220 482241410 /nfs/dbraw/zinc/24/14/10/482241410.db2.gz NANDTZURNZWPQF-DYESRHJHSA-N 1 3 345.531 2.667 20 0 EFADHO C[NH2+]C[C@@H](C)NC1CCN(Cc2ccccc2Br)CC1 ZINC000663510099 482271752 /nfs/dbraw/zinc/27/17/52/482271752.db2.gz PDMYZXXSYYJLJH-CYBMUJFWSA-N 1 3 340.309 2.611 20 0 EFADHO CNC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000663510099 482271760 /nfs/dbraw/zinc/27/17/60/482271760.db2.gz PDMYZXXSYYJLJH-CYBMUJFWSA-N 1 3 340.309 2.611 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655349637 482276772 /nfs/dbraw/zinc/27/67/72/482276772.db2.gz LMSMJAMTVKHVBN-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655349637 482276775 /nfs/dbraw/zinc/27/67/75/482276775.db2.gz LMSMJAMTVKHVBN-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO O[C@@H](C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)CN1CCCC1 ZINC000649875178 482307902 /nfs/dbraw/zinc/30/79/02/482307902.db2.gz ATKCKPARSFPWDU-WMLDXEAASA-N 1 3 326.843 2.977 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc2c1CCNC2 ZINC000663596264 482315039 /nfs/dbraw/zinc/31/50/39/482315039.db2.gz TZTAIEYTGVTDCA-MRXNPFEDSA-N 1 3 342.487 2.576 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc2c1CCNC2 ZINC000663596264 482315043 /nfs/dbraw/zinc/31/50/43/482315043.db2.gz TZTAIEYTGVTDCA-MRXNPFEDSA-N 1 3 342.487 2.576 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000666413786 482322060 /nfs/dbraw/zinc/32/20/60/482322060.db2.gz BCISOGABMGEHLJ-FPOVZHCZSA-N 1 3 340.467 2.935 20 0 EFADHO CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000187945090 533794965 /nfs/dbraw/zinc/79/49/65/533794965.db2.gz YZXKGXCERMFYPV-GUDVDZBRSA-N 1 3 334.529 2.697 20 0 EFADHO CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000187945090 533794972 /nfs/dbraw/zinc/79/49/72/533794972.db2.gz YZXKGXCERMFYPV-GUDVDZBRSA-N 1 3 334.529 2.697 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnccn1 ZINC000183496470 533870952 /nfs/dbraw/zinc/87/09/52/533870952.db2.gz VVDYASNRYPOCCW-KRWDZBQOSA-N 1 3 340.471 2.845 20 0 EFADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000179509572 533937241 /nfs/dbraw/zinc/93/72/41/533937241.db2.gz XIERTERWGWFESW-HNNXBMFYSA-N 1 3 341.455 2.808 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000178164862 518707522 /nfs/dbraw/zinc/70/75/22/518707522.db2.gz LBJQRZXSFPKXNA-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO CC(C)(C)[NH+]1CCC(NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000178164862 518707529 /nfs/dbraw/zinc/70/75/29/518707529.db2.gz LBJQRZXSFPKXNA-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC000178840039 519563846 /nfs/dbraw/zinc/56/38/46/519563846.db2.gz AUNCHKPYQXEFHB-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000078434216 519647455 /nfs/dbraw/zinc/64/74/55/519647455.db2.gz HNKYVELXTIFQJM-SFHVURJKSA-N 1 3 334.508 2.707 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000156685406 519669132 /nfs/dbraw/zinc/66/91/32/519669132.db2.gz GGMZDDYAOUYYTE-PXNSSMCTSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000177545085 519670841 /nfs/dbraw/zinc/67/08/41/519670841.db2.gz SNMXXJXZIBHEQK-YLJYHZDGSA-N 1 3 343.515 2.853 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000151123291 519864054 /nfs/dbraw/zinc/86/40/54/519864054.db2.gz QMGZFKRPHWYDQP-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000151123291 519864055 /nfs/dbraw/zinc/86/40/55/519864055.db2.gz QMGZFKRPHWYDQP-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000151123291 519864056 /nfs/dbraw/zinc/86/40/56/519864056.db2.gz QMGZFKRPHWYDQP-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000066596194 520588149 /nfs/dbraw/zinc/58/81/49/520588149.db2.gz IYEUPVCYLPDGFM-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000066596194 520588158 /nfs/dbraw/zinc/58/81/58/520588158.db2.gz IYEUPVCYLPDGFM-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000079115040 520617087 /nfs/dbraw/zinc/61/70/87/520617087.db2.gz ALFCSLUIWQJANQ-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@H]2CCCO[C@@H]21 ZINC000182263920 520670086 /nfs/dbraw/zinc/67/00/86/520670086.db2.gz LEMBOBYGCJNNAV-NMLBUPMWSA-N 1 3 344.499 2.546 20 0 EFADHO CCN1CCN(c2ccccc2CNC[C@H](C)[NH+](CC)CC)CC1 ZINC000088677309 520829238 /nfs/dbraw/zinc/82/92/38/520829238.db2.gz KAPIMUZHDLZZHR-SFHVURJKSA-N 1 3 332.536 2.648 20 0 EFADHO CCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236785808 521207038 /nfs/dbraw/zinc/20/70/38/521207038.db2.gz VJLWDDKNIICGEX-IPQPSQTFSA-N 1 3 329.488 2.816 20 0 EFADHO CCCC[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236785808 521207044 /nfs/dbraw/zinc/20/70/44/521207044.db2.gz VJLWDDKNIICGEX-IPQPSQTFSA-N 1 3 329.488 2.816 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC1CC[NH2+]CC1 ZINC000236894714 521231477 /nfs/dbraw/zinc/23/14/77/521231477.db2.gz VAZINNHONSRBJM-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC1CC[NH2+]CC1 ZINC000236903203 521271726 /nfs/dbraw/zinc/27/17/26/521271726.db2.gz VAZINNHONSRBJM-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2csc(CC)n2)[C@@H](C)C1 ZINC000157080175 521707362 /nfs/dbraw/zinc/70/73/62/521707362.db2.gz JPSOMWHEUDLNJO-DOTOQJQBSA-N 1 3 339.549 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2csc(CC)n2)[C@@H](C)C1 ZINC000157080175 521707366 /nfs/dbraw/zinc/70/73/66/521707366.db2.gz JPSOMWHEUDLNJO-DOTOQJQBSA-N 1 3 339.549 2.975 20 0 EFADHO CC[N@@H+]1CC[C@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@H](C)C1 ZINC000156972239 521721408 /nfs/dbraw/zinc/72/14/08/521721408.db2.gz QLXDSHXVBFZVJX-APWZRJJASA-N 1 3 345.531 2.958 20 0 EFADHO CC[N@H+]1CC[C@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@H](C)C1 ZINC000156972239 521721410 /nfs/dbraw/zinc/72/14/10/521721410.db2.gz QLXDSHXVBFZVJX-APWZRJJASA-N 1 3 345.531 2.958 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182710309 521721519 /nfs/dbraw/zinc/72/15/19/521721519.db2.gz KVUDBKFJYAWAER-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245864443 521722212 /nfs/dbraw/zinc/72/22/12/521722212.db2.gz DKIVUDCFBUTWNO-CEXWTWQISA-N 1 3 344.503 2.558 20 0 EFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000245864443 521722213 /nfs/dbraw/zinc/72/22/13/521722213.db2.gz DKIVUDCFBUTWNO-CEXWTWQISA-N 1 3 344.503 2.558 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000195519123 521776973 /nfs/dbraw/zinc/77/69/73/521776973.db2.gz FOAZZFISKBGAPU-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO C[NH+](C)C[C@@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000154296567 521827736 /nfs/dbraw/zinc/82/77/36/521827736.db2.gz JTRRTQONJZBERB-SFHVURJKSA-N 1 3 348.437 2.631 20 0 EFADHO C[NH2+]CCC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000261925807 521983670 /nfs/dbraw/zinc/98/36/70/521983670.db2.gz LAGGKSOQWMGFLT-UHFFFAOYSA-N 1 3 327.476 2.706 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000246122673 522679365 /nfs/dbraw/zinc/67/93/65/522679365.db2.gz HNJCYFSMBMLVAZ-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000246122673 522679372 /nfs/dbraw/zinc/67/93/72/522679372.db2.gz HNJCYFSMBMLVAZ-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCC[N@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000120638058 522742727 /nfs/dbraw/zinc/74/27/27/522742727.db2.gz MZUUPACWCVIIEU-UHFFFAOYSA-N 1 3 326.525 2.874 20 0 EFADHO CN(CCC[N@@H+](C)CCC1CCOCC1)CCC1CCOCC1 ZINC000120638058 522742731 /nfs/dbraw/zinc/74/27/31/522742731.db2.gz MZUUPACWCVIIEU-UHFFFAOYSA-N 1 3 326.525 2.874 20 0 EFADHO C[N@H+](CCCNC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000057702611 522760377 /nfs/dbraw/zinc/76/03/77/522760377.db2.gz IIIYBNYZABWOKX-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO C[N@@H+](CCCNC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000057702611 522760384 /nfs/dbraw/zinc/76/03/84/522760384.db2.gz IIIYBNYZABWOKX-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H]1CCc2cc(Br)ccc21 ZINC000153734369 523585327 /nfs/dbraw/zinc/58/53/27/523585327.db2.gz AURIJUSIGGYLHV-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H]1CCc2cc(Br)ccc21 ZINC000153734369 523585336 /nfs/dbraw/zinc/58/53/36/523585336.db2.gz AURIJUSIGGYLHV-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3cccs3)CC2)CC1 ZINC000050802883 523766307 /nfs/dbraw/zinc/76/63/07/523766307.db2.gz YYSBSQAMXIERMQ-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000154072203 524282129 /nfs/dbraw/zinc/28/21/29/524282129.db2.gz KKHHMHVQNMMNLT-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000179723068 524299909 /nfs/dbraw/zinc/29/99/09/524299909.db2.gz LLACBGBBVWLIDJ-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000179723068 524299920 /nfs/dbraw/zinc/29/99/20/524299920.db2.gz LLACBGBBVWLIDJ-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116529825 524603343 /nfs/dbraw/zinc/60/33/43/524603343.db2.gz NKIDVBTZPHEQJK-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H]1CN(Cc2cccc(C[N@@H+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000245406473 524625348 /nfs/dbraw/zinc/62/53/48/524625348.db2.gz XLOWOLPWDKYFEP-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1CN(Cc2cccc(C[N@H+]3CCCO[C@@H](C)C3)c2)CCCO1 ZINC000245406473 524625358 /nfs/dbraw/zinc/62/53/58/524625358.db2.gz XLOWOLPWDKYFEP-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000245402060 524636478 /nfs/dbraw/zinc/63/64/78/524636478.db2.gz GSGPIWJKIGYKBP-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000245402060 524636488 /nfs/dbraw/zinc/63/64/88/524636488.db2.gz GSGPIWJKIGYKBP-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO Cc1cccc([C@@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120281410 524815262 /nfs/dbraw/zinc/81/52/62/524815262.db2.gz LBDHUEXPWIXPJH-QGZVFWFLSA-N 1 3 343.515 2.773 20 0 EFADHO Cc1ccc(F)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341210 524819371 /nfs/dbraw/zinc/81/93/71/524819371.db2.gz JFCNKIVHPKRBSO-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO C[C@H]1C[C@H](NCCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000181357624 524923949 /nfs/dbraw/zinc/92/39/49/524923949.db2.gz AQTBDTFRVOHLPQ-SWLSCSKDSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@H]1C[C@H](NCCNc2cccc(Br)c2)CC[N@H+]1C ZINC000181357624 524923956 /nfs/dbraw/zinc/92/39/56/524923956.db2.gz AQTBDTFRVOHLPQ-SWLSCSKDSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182384064 525054847 /nfs/dbraw/zinc/05/48/47/525054847.db2.gz XYMVNJRTUIXJQH-HOTGVXAUSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182384064 525054856 /nfs/dbraw/zinc/05/48/56/525054856.db2.gz XYMVNJRTUIXJQH-HOTGVXAUSA-N 1 3 348.535 2.565 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263299937 525137355 /nfs/dbraw/zinc/13/73/55/525137355.db2.gz WYBWKNIYKLWKDU-FPOVZHCZSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000195341565 525154257 /nfs/dbraw/zinc/15/42/57/525154257.db2.gz DLYYXHQDMBJHDO-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO C[C@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC[NH2+]1 ZINC000180997281 525217152 /nfs/dbraw/zinc/21/71/52/525217152.db2.gz MDDNUMNUEQMSAT-LJQANCHMSA-N 1 3 347.528 2.749 20 0 EFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000219319898 525358479 /nfs/dbraw/zinc/35/84/79/525358479.db2.gz JHJPSPRYURUYEX-NSHDSACASA-N 1 3 333.245 2.817 20 0 EFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)cc1F ZINC000219314936 525358780 /nfs/dbraw/zinc/35/87/80/525358780.db2.gz ZCGWJCRAJQMSRK-NSHDSACASA-N 1 3 333.245 2.817 20 0 EFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000180998315 525519325 /nfs/dbraw/zinc/51/93/25/525519325.db2.gz NMUZHRDAPMQBOW-OAHLLOKOSA-N 1 3 343.446 2.968 20 0 EFADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000245202374 526082545 /nfs/dbraw/zinc/08/25/45/526082545.db2.gz RUYFRUIIEPKQHG-IXDOHACOSA-N 1 3 347.503 2.505 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)[C@H]1CCC[NH2+]1 ZINC000262310581 526595601 /nfs/dbraw/zinc/59/56/01/526595601.db2.gz YWQMBBGGVBBVSJ-CRAIPNDOSA-N 1 3 341.455 2.513 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166246306 528236536 /nfs/dbraw/zinc/23/65/36/528236536.db2.gz LNWDGYFQCDOANS-HNNXBMFYSA-N 1 3 345.409 2.943 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000191589174 529039097 /nfs/dbraw/zinc/03/90/97/529039097.db2.gz QHLLSMSTFQBOFP-UHFFFAOYSA-N 1 3 332.536 2.601 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000191589174 529039101 /nfs/dbraw/zinc/03/91/01/529039101.db2.gz QHLLSMSTFQBOFP-UHFFFAOYSA-N 1 3 332.536 2.601 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154264439 529144989 /nfs/dbraw/zinc/14/49/89/529144989.db2.gz FECTXBMBYPDOCK-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO CC1(C)Cc2cc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)ccc2O1 ZINC000414772828 534945582 /nfs/dbraw/zinc/94/55/82/534945582.db2.gz COPBIDOOQIOZSN-KRWDZBQOSA-N 1 3 330.472 2.587 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C(C)C ZINC000346012890 534982464 /nfs/dbraw/zinc/98/24/64/534982464.db2.gz HPKXLRZGANOIOQ-IBGZPJMESA-N 1 3 348.535 2.782 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C(C)C ZINC000346012890 534982471 /nfs/dbraw/zinc/98/24/71/534982471.db2.gz HPKXLRZGANOIOQ-IBGZPJMESA-N 1 3 348.535 2.782 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000359468873 535015396 /nfs/dbraw/zinc/01/53/96/535015396.db2.gz QGIWOOSIGYCTKK-JFIYKMOQSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000359468873 535015403 /nfs/dbraw/zinc/01/54/03/535015403.db2.gz QGIWOOSIGYCTKK-JFIYKMOQSA-N 1 3 334.508 2.706 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418463039 535028420 /nfs/dbraw/zinc/02/84/20/535028420.db2.gz KQOSQYNUVLHWCV-IEBWSBKVSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)c1ccccc1OCCN(C)C)C(C)C ZINC000356164755 535061482 /nfs/dbraw/zinc/06/14/82/535061482.db2.gz KXHXXPNBYJLTAQ-UHFFFAOYSA-N 1 3 349.519 2.818 20 0 EFADHO CC(C)(CNC(=O)CCCCCC[NH3+])N1CCc2ccccc2C1 ZINC000236645644 535097108 /nfs/dbraw/zinc/09/71/08/535097108.db2.gz NWQLUPBAOBUJIZ-UHFFFAOYSA-N 1 3 331.504 2.849 20 0 EFADHO CC1(CNCc2cn(-c3ccc(F)cc3Cl)nn2)CC[NH2+]CC1 ZINC000414908521 535152458 /nfs/dbraw/zinc/15/24/58/535152458.db2.gz RAVYRZUBPBZIJA-UHFFFAOYSA-N 1 3 337.830 2.539 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418495619 535211522 /nfs/dbraw/zinc/21/15/22/535211522.db2.gz BNZAWEBYAGKQTH-RBUKOAKNSA-N 1 3 342.487 2.854 20 0 EFADHO CCCN(C(=O)NC[C@@H]([NH3+])CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418704941 535219959 /nfs/dbraw/zinc/21/99/59/535219959.db2.gz DEKXDAMCDGJCDK-OALUTQOASA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667629 535241670 /nfs/dbraw/zinc/24/16/70/535241670.db2.gz HJTZBLMDTUSSPN-ZWKOTPCHSA-N 1 3 332.492 2.591 20 0 EFADHO CC(C)N1CCc2nc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414786816 535251645 /nfs/dbraw/zinc/25/16/45/535251645.db2.gz UYAJCYODLNQNJQ-HZPDHXFCSA-N 1 3 348.560 2.731 20 0 EFADHO CC(C)[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000342412993 535271008 /nfs/dbraw/zinc/27/10/08/535271008.db2.gz DVUZFUUIADAOFI-ROUUACIJSA-N 1 3 335.492 2.705 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418426453 535275977 /nfs/dbraw/zinc/27/59/77/535275977.db2.gz MECXFWHCRSGHNW-OALUTQOASA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662138 535323689 /nfs/dbraw/zinc/32/36/89/535323689.db2.gz DTUTUAYFXIBPES-XUVXKRRUSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662138 535323692 /nfs/dbraw/zinc/32/36/92/535323692.db2.gz DTUTUAYFXIBPES-XUVXKRRUSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000359662135 535324733 /nfs/dbraw/zinc/32/47/33/535324733.db2.gz DTUTUAYFXIBPES-HSALFYBXSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000359662135 535324736 /nfs/dbraw/zinc/32/47/36/535324736.db2.gz DTUTUAYFXIBPES-HSALFYBXSA-N 1 3 343.515 2.553 20 0 EFADHO CCOCC(C)(C)C[NH2+]Cc1ccccc1N1CCN(CC)CC1 ZINC000342415777 535432450 /nfs/dbraw/zinc/43/24/50/535432450.db2.gz LAXVMMWHPHJGRR-UHFFFAOYSA-N 1 3 333.520 2.981 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000349607883 535496713 /nfs/dbraw/zinc/49/67/13/535496713.db2.gz DPKZDXTWDMGKPG-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349607883 535496720 /nfs/dbraw/zinc/49/67/20/535496720.db2.gz DPKZDXTWDMGKPG-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCCCC2 ZINC000344101632 535502802 /nfs/dbraw/zinc/50/28/02/535502802.db2.gz MTYNDJWIFWZLSH-CEXWTWQISA-N 1 3 338.536 2.797 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351273714 535509471 /nfs/dbraw/zinc/50/94/71/535509471.db2.gz XFAFFHOFLRXTDM-KDURUIRLSA-N 1 3 339.568 2.930 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1CCN(C)CC1 ZINC000266154897 535528204 /nfs/dbraw/zinc/52/82/04/535528204.db2.gz OTMFEPFAYRLFNY-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195707 535535635 /nfs/dbraw/zinc/53/56/35/535535635.db2.gz OGZRLIQMTZSYBZ-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000264340630 535551830 /nfs/dbraw/zinc/55/18/30/535551830.db2.gz PTFNTATYRXLDGM-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1CNC(=O)C1(N)CCCCC1 ZINC000236871938 535556428 /nfs/dbraw/zinc/55/64/28/535556428.db2.gz HNPIWPWVICEQDC-UHFFFAOYSA-N 1 3 347.503 2.685 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000359662421 535580551 /nfs/dbraw/zinc/58/05/51/535580551.db2.gz GHKXJPVBYIXEGW-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000359662421 535580558 /nfs/dbraw/zinc/58/05/58/535580558.db2.gz GHKXJPVBYIXEGW-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000351941419 535583684 /nfs/dbraw/zinc/58/36/84/535583684.db2.gz QWFOWXGNFYDBEB-IPMKNSEASA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000351941419 535583689 /nfs/dbraw/zinc/58/36/89/535583689.db2.gz QWFOWXGNFYDBEB-IPMKNSEASA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000351941419 535583693 /nfs/dbraw/zinc/58/36/93/535583693.db2.gz QWFOWXGNFYDBEB-IPMKNSEASA-N 1 3 342.483 2.830 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCCc1ccc(C)nc1)CCN(C)C ZINC000349061307 535592049 /nfs/dbraw/zinc/59/20/49/535592049.db2.gz IODDOOHMWHIGRY-FQEVSTJZSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCCc1ccc(C)nc1)CCN(C)C ZINC000349061307 535592053 /nfs/dbraw/zinc/59/20/53/535592053.db2.gz IODDOOHMWHIGRY-FQEVSTJZSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1 ZINC000344818396 535594467 /nfs/dbraw/zinc/59/44/67/535594467.db2.gz YXQNVJFBRPHMCP-MJGOQNOKSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1 ZINC000344818396 535594473 /nfs/dbraw/zinc/59/44/73/535594473.db2.gz YXQNVJFBRPHMCP-MJGOQNOKSA-N 1 3 331.504 2.665 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000359570467 535604054 /nfs/dbraw/zinc/60/40/54/535604054.db2.gz ZPJGOJWDFQICQU-PBHICJAKSA-N 1 3 333.476 2.699 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccsc1 ZINC000264891172 535658436 /nfs/dbraw/zinc/65/84/36/535658436.db2.gz SMZINVNXXPGHRN-INIZCTEOSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000264891172 535658439 /nfs/dbraw/zinc/65/84/39/535658439.db2.gz SMZINVNXXPGHRN-INIZCTEOSA-N 1 3 338.521 2.524 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)c1ccsc1 ZINC000236884025 535676972 /nfs/dbraw/zinc/67/69/72/535676972.db2.gz LYAPKRFNXNJDQQ-QZTJIDSGSA-N 1 3 345.512 2.817 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(OC)c(OC)c2C)CC1 ZINC000342085624 535694555 /nfs/dbraw/zinc/69/45/55/535694555.db2.gz OCHRPGWPCQDDDE-UHFFFAOYSA-N 1 3 349.519 2.520 20 0 EFADHO CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435616101 535705838 /nfs/dbraw/zinc/70/58/38/535705838.db2.gz RHAPKCTXXJWAOX-INIZCTEOSA-N 1 3 325.403 2.757 20 0 EFADHO CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCNCC1 ZINC000435616101 535705845 /nfs/dbraw/zinc/70/58/45/535705845.db2.gz RHAPKCTXXJWAOX-INIZCTEOSA-N 1 3 325.403 2.757 20 0 EFADHO CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCCNCC1 ZINC000435616101 535705851 /nfs/dbraw/zinc/70/58/51/535705851.db2.gz RHAPKCTXXJWAOX-INIZCTEOSA-N 1 3 325.403 2.757 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193085573 535716029 /nfs/dbraw/zinc/71/60/29/535716029.db2.gz FTBWXZYGXAABFH-OAHLLOKOSA-N 1 3 348.516 2.766 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823058 535730611 /nfs/dbraw/zinc/73/06/11/535730611.db2.gz YPVQXUUJXJFRDE-MGPUTAFESA-N 1 3 349.494 2.901 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000352833586 535730926 /nfs/dbraw/zinc/73/09/26/535730926.db2.gz JDIGAWZZQMGAFE-ZDUSSCGKSA-N 1 3 345.409 2.527 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352831781 535740987 /nfs/dbraw/zinc/74/09/87/535740987.db2.gz CFQZPOZBIPIVEG-GFCCVEGCSA-N 1 3 335.439 2.883 20 0 EFADHO CCN1C[C@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000344534757 535783722 /nfs/dbraw/zinc/78/37/22/535783722.db2.gz RRPYMZJICKDWDM-BJLQDIEVSA-N 1 3 345.531 2.816 20 0 EFADHO CCN1C[C@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000344534762 535783801 /nfs/dbraw/zinc/78/38/01/535783801.db2.gz RRPYMZJICKDWDM-NSHGMRRFSA-N 1 3 345.531 2.816 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418591259 535952275 /nfs/dbraw/zinc/95/22/75/535952275.db2.gz ULMQWHPCARZHQW-PMPSAXMXSA-N 1 3 338.883 2.512 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000418646830 535976891 /nfs/dbraw/zinc/97/68/91/535976891.db2.gz FVZUKSMRUFMDBA-KXBFYZLASA-N 1 3 346.519 2.621 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361082535 535977823 /nfs/dbraw/zinc/97/78/23/535977823.db2.gz VRELJSGCDFKUFC-DOTOQJQBSA-N 1 3 341.455 2.612 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1 ZINC000412314708 535995753 /nfs/dbraw/zinc/99/57/53/535995753.db2.gz SOQRLCAAWYIAEF-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000412314708 535995757 /nfs/dbraw/zinc/99/57/57/535995757.db2.gz SOQRLCAAWYIAEF-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1)Cc1ccco1 ZINC000344088045 536021551 /nfs/dbraw/zinc/02/15/51/536021551.db2.gz NFQYUZYBVZDTLZ-UHFFFAOYSA-N 1 3 343.471 2.935 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000417077615 536030750 /nfs/dbraw/zinc/03/07/50/536030750.db2.gz XROXUNTUCDWCDS-UHFFFAOYSA-N 1 3 346.519 2.799 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000417065613 536031344 /nfs/dbraw/zinc/03/13/44/536031344.db2.gz KWQZUCOTYRNLBY-UHFFFAOYSA-N 1 3 346.519 2.860 20 0 EFADHO CC[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)N1CCc2ccccc2C1 ZINC000347664516 536106905 /nfs/dbraw/zinc/10/69/05/536106905.db2.gz HMJGBUFSFCLUKY-OAQYLSRUSA-N 1 3 349.478 2.857 20 0 EFADHO C[N@H+](CCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CC1 ZINC000419306931 536338990 /nfs/dbraw/zinc/33/89/90/536338990.db2.gz ZDLKEAOSRQZAAY-GOSISDBHSA-N 1 3 333.451 2.609 20 0 EFADHO C[N@@H+](CCCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CC1 ZINC000419306931 536338992 /nfs/dbraw/zinc/33/89/92/536338992.db2.gz ZDLKEAOSRQZAAY-GOSISDBHSA-N 1 3 333.451 2.609 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000351693874 536356435 /nfs/dbraw/zinc/35/64/35/536356435.db2.gz RBBPUOOSIBDKHM-IBGZPJMESA-N 1 3 347.478 2.894 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418492129 536365882 /nfs/dbraw/zinc/36/58/82/536365882.db2.gz UHHXUPJWPPEEEX-LJQANCHMSA-N 1 3 340.471 2.575 20 0 EFADHO CN(CCN1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000356071651 536369489 /nfs/dbraw/zinc/36/94/89/536369489.db2.gz YNIHINUNDRRRAF-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000343454987 536370459 /nfs/dbraw/zinc/37/04/59/536370459.db2.gz BCERTAJLKSMUHS-UHFFFAOYSA-N 1 3 329.488 2.840 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014063 536370887 /nfs/dbraw/zinc/37/08/87/536370887.db2.gz WEIUECRJOSONAZ-MOPGFXCFSA-N 1 3 332.488 2.591 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359506136 536403160 /nfs/dbraw/zinc/40/31/60/536403160.db2.gz BPOKXYGGJYLPIN-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359506136 536403162 /nfs/dbraw/zinc/40/31/62/536403162.db2.gz BPOKXYGGJYLPIN-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000347528862 536450039 /nfs/dbraw/zinc/45/00/39/536450039.db2.gz TUSIRXSHWWGMAF-GOSISDBHSA-N 1 3 349.478 2.884 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000347528862 536450042 /nfs/dbraw/zinc/45/00/42/536450042.db2.gz TUSIRXSHWWGMAF-GOSISDBHSA-N 1 3 349.478 2.884 20 0 EFADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000360147948 536592213 /nfs/dbraw/zinc/59/22/13/536592213.db2.gz INHCFXJXCKXCIR-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)CCO[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191540092 545516076 /nfs/dbraw/zinc/51/60/76/545516076.db2.gz UOKLJUBVTIKLQC-LJQANCHMSA-N 1 3 325.541 2.540 20 0 EFADHO CC(C)CCO[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000191540092 545516078 /nfs/dbraw/zinc/51/60/78/545516078.db2.gz UOKLJUBVTIKLQC-LJQANCHMSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000261640905 545619566 /nfs/dbraw/zinc/61/95/66/545619566.db2.gz ASHZMROGHXQITH-AYBZRNKSSA-N 1 3 347.478 2.624 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000279979631 545649910 /nfs/dbraw/zinc/64/99/10/545649910.db2.gz DKZVKUFMBWJSGQ-WBVHZDCISA-N 1 3 336.476 2.638 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H]1C ZINC000333244257 545871750 /nfs/dbraw/zinc/87/17/50/545871750.db2.gz BMKATSFKTFWLGK-YOEHRIQHSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H]1C ZINC000333244257 545871754 /nfs/dbraw/zinc/87/17/54/545871754.db2.gz BMKATSFKTFWLGK-YOEHRIQHSA-N 1 3 346.475 2.505 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)oc1C ZINC000339072249 545921840 /nfs/dbraw/zinc/92/18/40/545921840.db2.gz VHWGLQJBOKBKIT-OALUTQOASA-N 1 3 346.519 2.720 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339065894 545922749 /nfs/dbraw/zinc/92/27/49/545922749.db2.gz DBYYASBGRRNPOI-FGTMMUONSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339065894 545922751 /nfs/dbraw/zinc/92/27/51/545922751.db2.gz DBYYASBGRRNPOI-FGTMMUONSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339065894 545922755 /nfs/dbraw/zinc/92/27/55/545922755.db2.gz DBYYASBGRRNPOI-FGTMMUONSA-N 1 3 329.488 2.738 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000339227695 545924628 /nfs/dbraw/zinc/92/46/28/545924628.db2.gz BJZZWIGQQMGZAU-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000339227695 545924630 /nfs/dbraw/zinc/92/46/30/545924630.db2.gz BJZZWIGQQMGZAU-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341282838 545940022 /nfs/dbraw/zinc/94/00/22/545940022.db2.gz UBAKRHRDHJSHAP-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341282854 545940124 /nfs/dbraw/zinc/94/01/24/545940124.db2.gz UBAKRHRDHJSHAP-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352089739 546046290 /nfs/dbraw/zinc/04/62/90/546046290.db2.gz PUGYRXDEMZHEIG-BQFCYCMXSA-N 1 3 334.508 2.707 20 0 EFADHO C[C@@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000353207946 546058122 /nfs/dbraw/zinc/05/81/22/546058122.db2.gz ZMJDPJJPLZSKRS-UZLBHIALSA-N 1 3 341.499 2.813 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@H]2c2ccccc2)CC1 ZINC000353206643 546058444 /nfs/dbraw/zinc/05/84/44/546058444.db2.gz RZKCVFHEAKLXTF-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO C[NH+](C)CCCC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000354107325 546068447 /nfs/dbraw/zinc/06/84/47/546068447.db2.gz PJLVWLUIIMEOFS-UHFFFAOYSA-N 1 3 332.414 2.999 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360338373 546128969 /nfs/dbraw/zinc/12/89/69/546128969.db2.gz XWSCUQUJAGUBNQ-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCOc1ccc(Br)cc1)C2 ZINC000383242835 546156414 /nfs/dbraw/zinc/15/64/14/546156414.db2.gz CDEYSLPMDDGOHI-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000383242835 546156419 /nfs/dbraw/zinc/15/64/19/546156419.db2.gz CDEYSLPMDDGOHI-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000383242835 546156422 /nfs/dbraw/zinc/15/64/22/546156422.db2.gz CDEYSLPMDDGOHI-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000390885743 546164302 /nfs/dbraw/zinc/16/43/02/546164302.db2.gz YBPGSKJZZXSLHR-IBGZPJMESA-N 1 3 339.483 2.739 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCn1ccccc1=O ZINC000390885743 546164306 /nfs/dbraw/zinc/16/43/06/546164306.db2.gz YBPGSKJZZXSLHR-IBGZPJMESA-N 1 3 339.483 2.739 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000391741623 546165167 /nfs/dbraw/zinc/16/51/67/546165167.db2.gz RSOFDUXSHJUOJL-JKSUJKDBSA-N 1 3 328.464 2.577 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416837550 546204750 /nfs/dbraw/zinc/20/47/50/546204750.db2.gz HYUQVTUKBXALNG-KZNAEPCWSA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416970320 546205612 /nfs/dbraw/zinc/20/56/12/546205612.db2.gz DXBGMSJPNSNTJE-PKOBYXMFSA-N 1 3 344.503 2.529 20 0 EFADHO c1coc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684776 546532055 /nfs/dbraw/zinc/53/20/55/546532055.db2.gz WNKQNOAKTYLOCM-RBUKOAKNSA-N 1 3 347.503 2.650 20 0 EFADHO c1coc([C@@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684776 546532060 /nfs/dbraw/zinc/53/20/60/546532060.db2.gz WNKQNOAKTYLOCM-RBUKOAKNSA-N 1 3 347.503 2.650 20 0 EFADHO CCC(CC)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCC1 ZINC000655686422 546532623 /nfs/dbraw/zinc/53/26/23/546532623.db2.gz GRFHDHUBBXITOA-PMACEKPBSA-N 1 3 337.552 2.730 20 0 EFADHO CCC(CC)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCC1 ZINC000655686424 546532839 /nfs/dbraw/zinc/53/28/39/546532839.db2.gz GRFHDHUBBXITOA-VQTJNVASSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655698699 546539124 /nfs/dbraw/zinc/53/91/24/546539124.db2.gz UNKDVWRQLPIUOO-HKUYNNGSSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)N(C)Cc1ccccc1 ZINC000655719980 546549079 /nfs/dbraw/zinc/54/90/79/546549079.db2.gz YLFNDNOMHAWDBW-NQIIRXRSSA-N 1 3 345.531 2.740 20 0 EFADHO CN(C)CCOc1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655746863 546564499 /nfs/dbraw/zinc/56/44/99/546564499.db2.gz ILVVLJIDGYFZOK-FQEVSTJZSA-N 1 3 347.503 2.682 20 0 EFADHO CN(C)C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655768438 546573955 /nfs/dbraw/zinc/57/39/55/546573955.db2.gz DAUKFSROGZJUKQ-VQTJNVASSA-N 1 3 349.494 2.661 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000655968170 546654981 /nfs/dbraw/zinc/65/49/81/546654981.db2.gz OMCFLTRAOYRSCU-IPMKNSEASA-N 1 3 344.503 2.783 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000656497963 546821397 /nfs/dbraw/zinc/82/13/97/546821397.db2.gz XDHFJQNDCLDOLP-UHFFFAOYSA-N 1 3 339.483 2.843 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccnn1C ZINC000656567858 546844401 /nfs/dbraw/zinc/84/44/01/546844401.db2.gz VVAOQNCBUOYIHU-GOSISDBHSA-N 1 3 327.476 2.813 20 0 EFADHO Cc1cc(C)n2c(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)cnc2n1 ZINC000656785445 546923007 /nfs/dbraw/zinc/92/30/07/546923007.db2.gz HLHZPHCCDRZJAO-QGZVFWFLSA-N 1 3 327.476 2.558 20 0 EFADHO CCCOc1ccc(C[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1 ZINC000657305359 547099605 /nfs/dbraw/zinc/09/96/05/547099605.db2.gz DJTLQJRYYIFKGR-UHFFFAOYSA-N 1 3 333.520 2.899 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657308124 547101901 /nfs/dbraw/zinc/10/19/01/547101901.db2.gz NYZDMRLRMWRHCD-UHFFFAOYSA-N 1 3 349.494 2.874 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657308907 547102375 /nfs/dbraw/zinc/10/23/75/547102375.db2.gz YCMQOFXZPPOZDX-UHFFFAOYSA-N 1 3 332.517 2.804 20 0 EFADHO COc1ccc(C[NH+]2CCC(CNCc3nc(C)c[nH]3)CC2)cc1 ZINC000657336451 547116849 /nfs/dbraw/zinc/11/68/49/547116849.db2.gz RFASWQOAZZXKEV-UHFFFAOYSA-N 1 3 328.460 2.729 20 0 EFADHO COCc1csc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000657337914 547117990 /nfs/dbraw/zinc/11/79/90/547117990.db2.gz LUORCAWDZVGLQA-UHFFFAOYSA-N 1 3 337.533 2.543 20 0 EFADHO Cc1c(Br)cncc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000657491854 547183363 /nfs/dbraw/zinc/18/33/63/547183363.db2.gz LJPFLTVARMUAQZ-ZDUSSCGKSA-N 1 3 326.282 2.974 20 0 EFADHO Cc1c(Br)cncc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000657491854 547183369 /nfs/dbraw/zinc/18/33/69/547183369.db2.gz LJPFLTVARMUAQZ-ZDUSSCGKSA-N 1 3 326.282 2.974 20 0 EFADHO CO[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000657593093 547219949 /nfs/dbraw/zinc/21/99/49/547219949.db2.gz YLGNESDLZIMBQG-XUVXKRRUSA-N 1 3 332.488 2.825 20 0 EFADHO CO[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000657593093 547219953 /nfs/dbraw/zinc/21/99/53/547219953.db2.gz YLGNESDLZIMBQG-XUVXKRRUSA-N 1 3 332.488 2.825 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000657612624 547228483 /nfs/dbraw/zinc/22/84/83/547228483.db2.gz BMFMJEUFLIIZRW-LJQANCHMSA-N 1 3 329.488 2.985 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C3(OC)CCC3)cc2)CC1 ZINC000657839408 547298941 /nfs/dbraw/zinc/29/89/41/547298941.db2.gz UOULUIWDAQFCRY-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657838986 547299150 /nfs/dbraw/zinc/29/91/50/547299150.db2.gz IZWBZNZEQWAAKJ-FGTMMUONSA-N 1 3 341.503 2.934 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657838986 547299152 /nfs/dbraw/zinc/29/91/52/547299152.db2.gz IZWBZNZEQWAAKJ-FGTMMUONSA-N 1 3 341.503 2.934 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000657861795 547305205 /nfs/dbraw/zinc/30/52/05/547305205.db2.gz LTXMUFZOOCTAJZ-QGZVFWFLSA-N 1 3 327.476 2.832 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000657867295 547305874 /nfs/dbraw/zinc/30/58/74/547305874.db2.gz LNPJBYFSYJZEHK-GOSISDBHSA-N 1 3 328.460 2.838 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000657872360 547307062 /nfs/dbraw/zinc/30/70/62/547307062.db2.gz GGGIWONKNZEOHW-MRXNPFEDSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000657871480 547307549 /nfs/dbraw/zinc/30/75/49/547307549.db2.gz JHQDNVSRESBGQI-KRWDZBQOSA-N 1 3 327.476 2.688 20 0 EFADHO CCOC1CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000657969292 547326070 /nfs/dbraw/zinc/32/60/70/547326070.db2.gz LWAJYCKTQPYSGS-IOJLRTSASA-N 1 3 332.488 2.691 20 0 EFADHO CCOC1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000658013957 547337072 /nfs/dbraw/zinc/33/70/72/547337072.db2.gz QSVSHTUQDBPBQO-UHFFFAOYSA-N 1 3 335.492 2.849 20 0 EFADHO c1cnc2c(c1)CCC[C@@H]2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070495 547347634 /nfs/dbraw/zinc/34/76/34/547347634.db2.gz PKOSHRPSOAMFAF-IBGZPJMESA-N 1 3 329.488 2.940 20 0 EFADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658164459 547377201 /nfs/dbraw/zinc/37/72/01/547377201.db2.gz NVLLZJFLRCRLGP-ACRUOGEOSA-N 1 3 342.531 2.756 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168799 547378800 /nfs/dbraw/zinc/37/88/00/547378800.db2.gz YXCNVIDWPFVYIW-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO Cn1ccnc1[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658168360 547379009 /nfs/dbraw/zinc/37/90/09/547379009.db2.gz WIHBNWQVVSAPRT-IBGZPJMESA-N 1 3 339.487 2.768 20 0 EFADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C)c1 ZINC000658167532 547379013 /nfs/dbraw/zinc/37/90/13/547379013.db2.gz SNRWIPJKALHIPM-IBGZPJMESA-N 1 3 327.476 2.768 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658168384 547379023 /nfs/dbraw/zinc/37/90/23/547379023.db2.gz WOQCELZXPWILBN-YLJYHZDGSA-N 1 3 330.520 2.614 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741142 547664062 /nfs/dbraw/zinc/66/40/62/547664062.db2.gz BUNYRHDMLICERN-HNNXBMFYSA-N 1 3 346.475 2.602 20 0 EFADHO COc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000673627096 547922196 /nfs/dbraw/zinc/92/21/96/547922196.db2.gz IFBGJDHAUYPZGN-QAPCUYQASA-N 1 3 348.487 2.998 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CCN(C)C ZINC000673944074 547993181 /nfs/dbraw/zinc/99/31/81/547993181.db2.gz IFUOGQHGBQJFIE-KRWDZBQOSA-N 1 3 347.503 2.573 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CCN(C)C ZINC000673944074 547993184 /nfs/dbraw/zinc/99/31/84/547993184.db2.gz IFUOGQHGBQJFIE-KRWDZBQOSA-N 1 3 347.503 2.573 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000675177762 548220125 /nfs/dbraw/zinc/22/01/25/548220125.db2.gz QRPSBMFCRRQUNB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000675177762 548220129 /nfs/dbraw/zinc/22/01/29/548220129.db2.gz QRPSBMFCRRQUNB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000675194471 548225639 /nfs/dbraw/zinc/22/56/39/548225639.db2.gz OITBXPSYWBUMFK-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000675194471 548225641 /nfs/dbraw/zinc/22/56/41/548225641.db2.gz OITBXPSYWBUMFK-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000675197607 548228273 /nfs/dbraw/zinc/22/82/73/548228273.db2.gz PVLQRHRKAGJLIY-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000675197607 548228274 /nfs/dbraw/zinc/22/82/74/548228274.db2.gz PVLQRHRKAGJLIY-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000676542936 548496046 /nfs/dbraw/zinc/49/60/46/548496046.db2.gz VQQZYHHEJRWARX-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676542936 548496049 /nfs/dbraw/zinc/49/60/49/548496049.db2.gz VQQZYHHEJRWARX-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000676664305 548515397 /nfs/dbraw/zinc/51/53/97/548515397.db2.gz IYLSQHUGZIAWNY-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@H]1COCCCN1Cc1cccc(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000676713834 548527550 /nfs/dbraw/zinc/52/75/50/548527550.db2.gz SHWNTPVKWMMFJB-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1COCCCN1Cc1cccc(C[N@H+]2CCCOC[C@@H]2C)c1 ZINC000676713834 548527552 /nfs/dbraw/zinc/52/75/52/548527552.db2.gz SHWNTPVKWMMFJB-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO CN1Cc2ccccc2[C@H](NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000677426287 548697321 /nfs/dbraw/zinc/69/73/21/548697321.db2.gz PZJPVLASQDRUEM-OAQYLSRUSA-N 1 3 339.483 2.903 20 0 EFADHO Cc1cc(C)cc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000677904648 548791895 /nfs/dbraw/zinc/79/18/95/548791895.db2.gz YJFMNNDSMBVNIH-FPOVZHCZSA-N 1 3 345.531 2.640 20 0 EFADHO CCCC(=O)NC1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678181477 548860010 /nfs/dbraw/zinc/86/00/10/548860010.db2.gz DBIZPOWLWZCBSQ-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCN(C2CCC2)CC1 ZINC000678265751 548882471 /nfs/dbraw/zinc/88/24/71/548882471.db2.gz ZNQQBEUQRPMIBE-UHFFFAOYSA-N 1 3 343.515 2.831 20 0 EFADHO CC[N@H+](CCC1CCN(CCn2ccccc2=O)CC1)CC1CC1 ZINC000678469838 548934990 /nfs/dbraw/zinc/93/49/90/548934990.db2.gz WUSRVGZEFUDRQC-UHFFFAOYSA-N 1 3 331.504 2.682 20 0 EFADHO CC[N@@H+](CCC1CCN(CCn2ccccc2=O)CC1)CC1CC1 ZINC000678469838 548934993 /nfs/dbraw/zinc/93/49/93/548934993.db2.gz WUSRVGZEFUDRQC-UHFFFAOYSA-N 1 3 331.504 2.682 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000678772683 548984922 /nfs/dbraw/zinc/98/49/22/548984922.db2.gz OEHDYNIHDZQKPH-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1C[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@@H+]1C ZINC000679131820 549062183 /nfs/dbraw/zinc/06/21/83/549062183.db2.gz QFSZMEWGTQVHHY-LPHOPBHVSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@H]1C[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@H+]1C ZINC000679131820 549062187 /nfs/dbraw/zinc/06/21/87/549062187.db2.gz QFSZMEWGTQVHHY-LPHOPBHVSA-N 1 3 331.504 2.786 20 0 EFADHO COC1CCN(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000681393010 549526288 /nfs/dbraw/zinc/52/62/88/549526288.db2.gz YMFOHZGLGHGYAH-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000681393010 549526292 /nfs/dbraw/zinc/52/62/92/549526292.db2.gz YMFOHZGLGHGYAH-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000681393010 549526293 /nfs/dbraw/zinc/52/62/93/549526293.db2.gz YMFOHZGLGHGYAH-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H]1[C@H](C)N(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000681491181 549547957 /nfs/dbraw/zinc/54/79/57/549547957.db2.gz DTXKFOQVMCMJOE-ROUUACIJSA-N 1 3 331.504 2.686 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(O)cc1 ZINC000682406976 549735036 /nfs/dbraw/zinc/73/50/36/549735036.db2.gz KZMGYUUHQXCVBQ-IBGZPJMESA-N 1 3 326.440 2.639 20 0 EFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(O)cc1 ZINC000682406976 549735038 /nfs/dbraw/zinc/73/50/38/549735038.db2.gz KZMGYUUHQXCVBQ-IBGZPJMESA-N 1 3 326.440 2.639 20 0 EFADHO CC(C)[C@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccnn1C ZINC000682616725 549774283 /nfs/dbraw/zinc/77/42/83/549774283.db2.gz IEIGNIOKQKNHPA-IBGZPJMESA-N 1 3 344.503 2.890 20 0 EFADHO CC(C)OCC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682649091 549782171 /nfs/dbraw/zinc/78/21/71/549782171.db2.gz KROSVQWXSNCUTC-IBGZPJMESA-N 1 3 326.525 2.750 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCC(F)(F)CC1 ZINC000682733650 549798618 /nfs/dbraw/zinc/79/86/18/549798618.db2.gz ZJKGBVDFCIBCQY-ZBFHGGJFSA-N 1 3 329.479 2.959 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000683078393 549847737 /nfs/dbraw/zinc/84/77/37/549847737.db2.gz DUENHGXYHGUYPU-RTBURBONSA-N 1 3 331.435 2.774 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](NCc3nc4ccc(F)cc4s3)C2)CC1 ZINC000683201491 549862494 /nfs/dbraw/zinc/86/24/94/549862494.db2.gz CTNYIPSESISTJM-CQSZACIVSA-N 1 3 348.491 2.694 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCNc4ccccc43)C2)CC1 ZINC000683690343 549932012 /nfs/dbraw/zinc/93/20/12/549932012.db2.gz HVBCZAOHJLOLMH-OXJNMPFZSA-N 1 3 328.504 2.692 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000683815392 549949516 /nfs/dbraw/zinc/94/95/16/549949516.db2.gz DNOMGDPHUMYTDI-UWJYYQICSA-N 1 3 345.531 2.911 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000684792217 550094654 /nfs/dbraw/zinc/09/46/54/550094654.db2.gz DCGQTFKDOPFYNX-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000684792217 550094656 /nfs/dbraw/zinc/09/46/56/550094656.db2.gz DCGQTFKDOPFYNX-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000684821597 550099898 /nfs/dbraw/zinc/09/98/98/550099898.db2.gz CQYALSSYZUHTBE-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(NCC12CCC[NH+]1CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000684848210 550104305 /nfs/dbraw/zinc/10/43/05/550104305.db2.gz FKNZADRKVZWYIG-UHFFFAOYSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H](NCc1ccncc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684963397 550118953 /nfs/dbraw/zinc/11/89/53/550118953.db2.gz SCDHPAZRVYZXDI-LBPRGKRZSA-N 1 3 331.382 2.843 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2cnccc2c1 ZINC000685454649 550153344 /nfs/dbraw/zinc/15/33/44/550153344.db2.gz KENOAXOIXAQIEK-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2cnccc2c1 ZINC000685454649 550153348 /nfs/dbraw/zinc/15/33/48/550153348.db2.gz KENOAXOIXAQIEK-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@@H]1CCOc2ccccc21 ZINC000685455879 550153799 /nfs/dbraw/zinc/15/37/99/550153799.db2.gz AHMYDEXHLUYEST-RBUKOAKNSA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@@H]1CCOc2ccccc21 ZINC000685455879 550153801 /nfs/dbraw/zinc/15/38/01/550153801.db2.gz AHMYDEXHLUYEST-RBUKOAKNSA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1F ZINC000685456210 550153810 /nfs/dbraw/zinc/15/38/10/550153810.db2.gz UNIUZJSUJFRTCN-QGZVFWFLSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1F ZINC000685456210 550153811 /nfs/dbraw/zinc/15/38/11/550153811.db2.gz UNIUZJSUJFRTCN-QGZVFWFLSA-N 1 3 337.483 2.682 20 0 EFADHO CN(C[C@H]1CCOc2ccccc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457227 550154040 /nfs/dbraw/zinc/15/40/40/550154040.db2.gz MIVJZGIXYLOSJA-IEBWSBKVSA-N 1 3 343.515 2.653 20 0 EFADHO CN(C[C@H]1CCOc2ccccc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457227 550154044 /nfs/dbraw/zinc/15/40/44/550154044.db2.gz MIVJZGIXYLOSJA-IEBWSBKVSA-N 1 3 343.515 2.653 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC2Cc3ccccc3C2)CC1 ZINC000685835047 550186542 /nfs/dbraw/zinc/18/65/42/550186542.db2.gz XPTRJOWBZPGDBZ-RTBURBONSA-N 1 3 341.543 2.892 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CC3Cc4ccccc4C3)CC2)CC1 ZINC000685839578 550187507 /nfs/dbraw/zinc/18/75/07/550187507.db2.gz NDSBCTBFJXBYGQ-UHFFFAOYSA-N 1 3 341.543 2.892 20 0 EFADHO CN1CCC(N2CC[C@H]([N@H+](C)CC3Cc4ccccc4C3)C2)CC1 ZINC000685847985 550187883 /nfs/dbraw/zinc/18/78/83/550187883.db2.gz FQQRKMDNXYCBBT-NRFANRHFSA-N 1 3 327.516 2.502 20 0 EFADHO CN1CCC(N2CC[C@H]([N@@H+](C)CC3Cc4ccccc4C3)C2)CC1 ZINC000685847985 550187886 /nfs/dbraw/zinc/18/78/86/550187886.db2.gz FQQRKMDNXYCBBT-NRFANRHFSA-N 1 3 327.516 2.502 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000755234502 575563676 /nfs/dbraw/zinc/56/36/76/575563676.db2.gz FGSLHMJLNFUNQC-CQSZACIVSA-N 1 3 334.335 2.530 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cs1 ZINC000760215122 575991443 /nfs/dbraw/zinc/99/14/43/575991443.db2.gz HAWWRPKRNRACIG-AWEZNQCLSA-N 1 3 343.924 2.890 20 0 EFADHO FC(F)(F)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054821 576106167 /nfs/dbraw/zinc/10/61/67/576106167.db2.gz JSGBRISUJSXCCC-TXEJJXNPSA-N 1 3 348.331 2.771 20 0 EFADHO FC(F)(F)[C@@H]1CCN(CCOCC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054821 576106171 /nfs/dbraw/zinc/10/61/71/576106171.db2.gz JSGBRISUJSXCCC-TXEJJXNPSA-N 1 3 348.331 2.771 20 0 EFADHO FC(F)(F)[C@@H]1CC[N@@H+](CCOCCN2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054821 576106175 /nfs/dbraw/zinc/10/61/75/576106175.db2.gz JSGBRISUJSXCCC-TXEJJXNPSA-N 1 3 348.331 2.771 20 0 EFADHO FC(F)(F)[C@@H]1CC[N@H+](CCOCCN2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054821 576106179 /nfs/dbraw/zinc/10/61/79/576106179.db2.gz JSGBRISUJSXCCC-TXEJJXNPSA-N 1 3 348.331 2.771 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@@H](O)c2ccco2)[C@H](C)C1 ZINC000763414296 576376623 /nfs/dbraw/zinc/37/66/23/576376623.db2.gz IOFXIMIEWBFCKE-ZJPYXAASSA-N 1 3 338.492 2.818 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H](O)c2ccco2)[C@H](C)C1 ZINC000763414296 576376624 /nfs/dbraw/zinc/37/66/24/576376624.db2.gz IOFXIMIEWBFCKE-ZJPYXAASSA-N 1 3 338.492 2.818 20 0 EFADHO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000763525434 576380190 /nfs/dbraw/zinc/38/01/90/576380190.db2.gz PMHGLWMROSGQOQ-MAUKXSAKSA-N 1 3 332.444 2.822 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000764686567 576488947 /nfs/dbraw/zinc/48/89/47/576488947.db2.gz WTAWVOGWTGDXPD-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764935390 576526288 /nfs/dbraw/zinc/52/62/88/576526288.db2.gz XBGCUFTYLBZANP-ROUUACIJSA-N 1 3 341.503 2.549 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc32)[C@H](C)C1 ZINC000765414910 577039889 /nfs/dbraw/zinc/03/98/89/577039889.db2.gz BNOJKERKMNJYFG-UYAOXDASSA-N 1 3 345.531 2.776 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc32)[C@H](C)C1 ZINC000765414910 577039890 /nfs/dbraw/zinc/03/98/90/577039890.db2.gz BNOJKERKMNJYFG-UYAOXDASSA-N 1 3 345.531 2.776 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000765443158 577042674 /nfs/dbraw/zinc/04/26/74/577042674.db2.gz VKOKJZKFFRHYCZ-CVEARBPZSA-N 1 3 328.460 2.699 20 0 EFADHO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000765631248 577061238 /nfs/dbraw/zinc/06/12/38/577061238.db2.gz QEJFYZDIANOLCW-RDJZCZTQSA-N 1 3 349.475 2.508 20 0 EFADHO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000765947911 577091167 /nfs/dbraw/zinc/09/11/67/577091167.db2.gz XSEMTUBTLOJKRL-HKUYNNGSSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCNc2ncccn2)CC1 ZINC000766517185 577160822 /nfs/dbraw/zinc/16/08/22/577160822.db2.gz LSLGJFNHJFZZEN-WMZOPIPTSA-N 1 3 331.508 2.911 20 0 EFADHO CN1CCC[C@H]1CC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000767411562 577207577 /nfs/dbraw/zinc/20/75/77/577207577.db2.gz NLPZIDAUFXFCEX-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000767411562 577207578 /nfs/dbraw/zinc/20/75/78/577207578.db2.gz NLPZIDAUFXFCEX-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc2c1COC2 ZINC000769505918 577368244 /nfs/dbraw/zinc/36/82/44/577368244.db2.gz KJTDACAZFJVKAY-UHFFFAOYSA-N 1 3 330.472 2.794 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)c1ccc(OCCN(C)C)cc1 ZINC000772948814 581383163 /nfs/dbraw/zinc/38/31/63/581383163.db2.gz PSIQPKZCFPMOFA-HNNXBMFYSA-N 1 3 335.492 2.757 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000773099872 581396309 /nfs/dbraw/zinc/39/63/09/581396309.db2.gz CMOZRSRRBAQTET-JRGCBEDISA-N 1 3 346.515 2.547 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000773099872 581396311 /nfs/dbraw/zinc/39/63/11/581396311.db2.gz CMOZRSRRBAQTET-JRGCBEDISA-N 1 3 346.515 2.547 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1ccccc1 ZINC000725718137 581505985 /nfs/dbraw/zinc/50/59/85/581505985.db2.gz VCLRJJQFMSJOOA-BONDDZEJSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1ccccc1 ZINC000725718137 581505986 /nfs/dbraw/zinc/50/59/86/581505986.db2.gz VCLRJJQFMSJOOA-BONDDZEJSA-N 1 3 343.515 2.964 20 0 EFADHO CC1CC[NH+](CCCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820721807 606211676 /nfs/dbraw/zinc/21/16/76/606211676.db2.gz BVSDACBXQJIWNV-UHFFFAOYSA-N 1 3 334.493 2.530 20 0 EFADHO CC1CC[NH+](CCCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820721807 606211677 /nfs/dbraw/zinc/21/16/77/606211677.db2.gz BVSDACBXQJIWNV-UHFFFAOYSA-N 1 3 334.493 2.530 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC[NH+](CCCCCF)CC2)CC1 ZINC001752309543 1249399810 /nfs/dbraw/zinc/39/98/10/1249399810.db2.gz XVHUOCWFDYSRFD-UHFFFAOYSA-N 1 3 341.515 2.781 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)ccn1 ZINC000850515425 1250518579 /nfs/dbraw/zinc/51/85/79/1250518579.db2.gz XWACWZSGTCDQTL-IBGZPJMESA-N 1 3 329.488 2.842 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003941107 1265564183 /nfs/dbraw/zinc/56/41/83/1265564183.db2.gz UWAXUJTXFTYQEL-SJLPKXTDSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[C@@H](CN)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717020011 1251365090 /nfs/dbraw/zinc/36/50/90/1251365090.db2.gz HBYWPIKRPPZFSE-UONOGXRCSA-N 1 3 349.466 2.699 20 0 EFADHO C[C@H](CCN[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000720724383 1251380024 /nfs/dbraw/zinc/38/00/24/1251380024.db2.gz JZYNVZSYSCGSAI-AEFFLSMTSA-N 1 3 333.476 2.717 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1)N(C)C ZINC000720724383 1251380036 /nfs/dbraw/zinc/38/00/36/1251380036.db2.gz JZYNVZSYSCGSAI-AEFFLSMTSA-N 1 3 333.476 2.717 20 0 EFADHO C[C@H](CCN[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000720724385 1251380167 /nfs/dbraw/zinc/38/01/67/1251380167.db2.gz JZYNVZSYSCGSAI-SJLPKXTDSA-N 1 3 333.476 2.717 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1)N(C)C ZINC000720724385 1251380177 /nfs/dbraw/zinc/38/01/77/1251380177.db2.gz JZYNVZSYSCGSAI-SJLPKXTDSA-N 1 3 333.476 2.717 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)C1CC1 ZINC001029970024 1251398328 /nfs/dbraw/zinc/39/83/28/1251398328.db2.gz IPULIGAYKKHWKW-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)C1CC1 ZINC001029970024 1251398333 /nfs/dbraw/zinc/39/83/33/1251398333.db2.gz IPULIGAYKKHWKW-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000724032734 1251530205 /nfs/dbraw/zinc/53/02/05/1251530205.db2.gz WGKBCKKORBPVJV-HOTGVXAUSA-N 1 3 325.497 2.755 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003969945 1265614656 /nfs/dbraw/zinc/61/46/56/1265614656.db2.gz FPMXBDPWOQETBR-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003969945 1265614660 /nfs/dbraw/zinc/61/46/60/1265614660.db2.gz FPMXBDPWOQETBR-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089401940 1252048361 /nfs/dbraw/zinc/04/83/61/1252048361.db2.gz ZRBSCCDLAFELKK-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089401940 1252048368 /nfs/dbraw/zinc/04/83/68/1252048368.db2.gz ZRBSCCDLAFELKK-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493377 1252059274 /nfs/dbraw/zinc/05/92/74/1252059274.db2.gz VUUZPPUUOKATMN-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493377 1252059281 /nfs/dbraw/zinc/05/92/81/1252059281.db2.gz VUUZPPUUOKATMN-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493376 1252060041 /nfs/dbraw/zinc/06/00/41/1252060041.db2.gz VUUZPPUUOKATMN-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493376 1252060051 /nfs/dbraw/zinc/06/00/51/1252060051.db2.gz VUUZPPUUOKATMN-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001484059495 1252123152 /nfs/dbraw/zinc/12/31/52/1252123152.db2.gz SUJXOUCSLZOIBO-QUCCMNQESA-N 1 3 347.478 2.735 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001484059494 1252124891 /nfs/dbraw/zinc/12/48/91/1252124891.db2.gz SUJXOUCSLZOIBO-ICSRJNTNSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001484069310 1252181582 /nfs/dbraw/zinc/18/15/82/1252181582.db2.gz ZBAVYUYYLSYIRP-HXUWFJFHSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001484069310 1252181586 /nfs/dbraw/zinc/18/15/86/1252181586.db2.gz ZBAVYUYYLSYIRP-HXUWFJFHSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339658 1252425253 /nfs/dbraw/zinc/42/52/53/1252425253.db2.gz ZAGSFCZIRZBVJL-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106910897 1252450542 /nfs/dbraw/zinc/45/05/42/1252450542.db2.gz UPSHUYJXRTZRFO-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089807263 1252765054 /nfs/dbraw/zinc/76/50/54/1252765054.db2.gz XTDGDRZSDFIRSR-VJANTYMQSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089807263 1252765059 /nfs/dbraw/zinc/76/50/59/1252765059.db2.gz XTDGDRZSDFIRSR-VJANTYMQSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807262 1252765465 /nfs/dbraw/zinc/76/54/65/1252765465.db2.gz XTDGDRZSDFIRSR-RDGPPVDQSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807262 1252765470 /nfs/dbraw/zinc/76/54/70/1252765470.db2.gz XTDGDRZSDFIRSR-RDGPPVDQSA-N 1 3 347.547 2.828 20 0 EFADHO CN(CCC[N@H+](C)Cc1cc2ccccc2o1)C(=O)[C@@H]1CCCN1C ZINC001484735529 1252868866 /nfs/dbraw/zinc/86/88/66/1252868866.db2.gz ANZJDUUEZZCBIH-SFHVURJKSA-N 1 3 343.471 2.807 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cc2ccccc2o1)C(=O)[C@@H]1CCCN1C ZINC001484735529 1252868880 /nfs/dbraw/zinc/86/88/80/1252868880.db2.gz ANZJDUUEZZCBIH-SFHVURJKSA-N 1 3 343.471 2.807 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCC1 ZINC000995824622 1254746916 /nfs/dbraw/zinc/74/69/16/1254746916.db2.gz RKNCXOAYPTVIAI-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CC1 ZINC000995892873 1254815555 /nfs/dbraw/zinc/81/55/55/1254815555.db2.gz GITGZEDRIHONCJ-SJORKVTESA-N 1 3 335.536 2.589 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)cc1 ZINC000995897548 1254822637 /nfs/dbraw/zinc/82/26/37/1254822637.db2.gz RTYRXWZXNXUXOH-MOPGFXCFSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)CCC1 ZINC000995887471 1254835318 /nfs/dbraw/zinc/83/53/18/1254835318.db2.gz PJMJDWPNZNWWGS-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CCC1 ZINC000995921897 1254844271 /nfs/dbraw/zinc/84/42/71/1254844271.db2.gz ZLDBFSYBTNIATA-SFHVURJKSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C(C)(C)C1)N(C)C ZINC000995952644 1254878051 /nfs/dbraw/zinc/87/80/51/1254878051.db2.gz RMGRXVUWWCVIAF-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1NCCF ZINC000996193359 1255091366 /nfs/dbraw/zinc/09/13/66/1255091366.db2.gz VHBLPENHSCQCPV-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1NCCF ZINC000996193359 1255091376 /nfs/dbraw/zinc/09/13/76/1255091376.db2.gz VHBLPENHSCQCPV-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1NCCF ZINC000996193353 1255091832 /nfs/dbraw/zinc/09/18/32/1255091832.db2.gz VHBLPENHSCQCPV-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1NCCF ZINC000996193353 1255091839 /nfs/dbraw/zinc/09/18/39/1255091839.db2.gz VHBLPENHSCQCPV-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)N(C)C ZINC000996250826 1255128680 /nfs/dbraw/zinc/12/86/80/1255128680.db2.gz YYQZZXBQQUTZPH-IAGOWNOFSA-N 1 3 337.552 2.835 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996299687 1255184681 /nfs/dbraw/zinc/18/46/81/1255184681.db2.gz CEJSQMVEIRSVFH-LPHOPBHVSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000996300431 1255185186 /nfs/dbraw/zinc/18/51/86/1255185186.db2.gz MFAVSGUKOVQBSR-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000996300865 1255185207 /nfs/dbraw/zinc/18/52/07/1255185207.db2.gz OWJKIOJQZDSPQI-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C(C)(C)C1)N(C)C ZINC000996314670 1255196949 /nfs/dbraw/zinc/19/69/49/1255196949.db2.gz JUOOQKIEJJQLCL-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2csc(C)c2)C(C)(C)C1)N(C)C ZINC000996312987 1255197011 /nfs/dbraw/zinc/19/70/11/1255197011.db2.gz BWQMPPWQHSHDNH-HOTGVXAUSA-N 1 3 337.533 2.723 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000996315092 1255197431 /nfs/dbraw/zinc/19/74/31/1255197431.db2.gz MFDXBZYTRLHMRI-ROUUACIJSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cc1C ZINC000996353670 1255240452 /nfs/dbraw/zinc/24/04/52/1255240452.db2.gz BXNFCGYMCFYMNL-SFHVURJKSA-N 1 3 340.471 2.596 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC000996356234 1255243072 /nfs/dbraw/zinc/24/30/72/1255243072.db2.gz QXCZVTOYOSHEBI-QGZVFWFLSA-N 1 3 332.492 2.749 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000996355415 1255243811 /nfs/dbraw/zinc/24/38/11/1255243811.db2.gz MDQQIGRRMZTJPJ-QGZVFWFLSA-N 1 3 330.476 2.669 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH2+]CC3CC3)C(C)(C)C2)c1 ZINC000996667107 1255685239 /nfs/dbraw/zinc/68/52/39/1255685239.db2.gz VMZOVNAQURKKES-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccccc1 ZINC000996664535 1255698723 /nfs/dbraw/zinc/69/87/23/1255698723.db2.gz KAJXYLKTCSCPAH-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccccc1 ZINC000996664538 1255698794 /nfs/dbraw/zinc/69/87/94/1255698794.db2.gz KAJXYLKTCSCPAH-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC000996664960 1255699535 /nfs/dbraw/zinc/69/95/35/1255699535.db2.gz NLQZORSFIROTOK-UHFFFAOYSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1F ZINC000996673753 1255705058 /nfs/dbraw/zinc/70/50/58/1255705058.db2.gz XDAHHAGDADXQEV-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1)C1CC1 ZINC000996674135 1255713298 /nfs/dbraw/zinc/71/32/98/1255713298.db2.gz ADRVNTHFUGJUJE-LJQANCHMSA-N 1 3 347.547 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC001203455648 1255715217 /nfs/dbraw/zinc/71/52/17/1255715217.db2.gz IAGCYISGAAIAMB-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1)C1CCC1 ZINC000996671702 1255718749 /nfs/dbraw/zinc/71/87/49/1255718749.db2.gz JLNRTWLFDRHASR-UHFFFAOYSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1cccc(F)c1 ZINC000996676631 1255725674 /nfs/dbraw/zinc/72/56/74/1255725674.db2.gz HQWNCZMRGWHQOC-KUHUBIRLSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1C ZINC000996677607 1255726281 /nfs/dbraw/zinc/72/62/81/1255726281.db2.gz LNSHRPCFBCDPDC-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996677432 1255727178 /nfs/dbraw/zinc/72/71/78/1255727178.db2.gz JNYMXTOMVJAUHA-JXFKEZNVSA-N 1 3 343.515 2.977 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1F ZINC000996681241 1255734974 /nfs/dbraw/zinc/73/49/74/1255734974.db2.gz YIFZYWQPIQOPPS-LIRRHRJNSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996689384 1255750359 /nfs/dbraw/zinc/75/03/59/1255750359.db2.gz CTTABDGTCJZGFR-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC000996711084 1255803549 /nfs/dbraw/zinc/80/35/49/1255803549.db2.gz JGRMSAVUJBBSFJ-HNAYVOBHSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436503 1255813440 /nfs/dbraw/zinc/81/34/40/1255813440.db2.gz AGDGGMFTKCZIPJ-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436503 1255813447 /nfs/dbraw/zinc/81/34/47/1255813447.db2.gz AGDGGMFTKCZIPJ-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438623 1255820215 /nfs/dbraw/zinc/82/02/15/1255820215.db2.gz FGNXXSZFPPVBOP-WSTZPKSXSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438623 1255820224 /nfs/dbraw/zinc/82/02/24/1255820224.db2.gz FGNXXSZFPPVBOP-WSTZPKSXSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438642 1255820384 /nfs/dbraw/zinc/82/03/84/1255820384.db2.gz FUUWOOKGJONIEK-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438642 1255820392 /nfs/dbraw/zinc/82/03/92/1255820392.db2.gz FUUWOOKGJONIEK-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(C)C ZINC001107444516 1255834643 /nfs/dbraw/zinc/83/46/43/1255834643.db2.gz MEVXVCHEMHYKLA-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(C)C ZINC001107444516 1255834654 /nfs/dbraw/zinc/83/46/54/1255834654.db2.gz MEVXVCHEMHYKLA-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(C(C)C)n2)CC1)N(C)C ZINC000996721254 1255878008 /nfs/dbraw/zinc/87/80/08/1255878008.db2.gz XZFQJRVHRHHCPY-LJQANCHMSA-N 1 3 346.519 2.626 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)[NH+](C)C ZINC001107533703 1256068882 /nfs/dbraw/zinc/06/88/82/1256068882.db2.gz BHJSIKULOWPZRI-GGNZZIJHSA-N 1 3 341.927 2.686 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673583 1266016256 /nfs/dbraw/zinc/01/62/56/1266016256.db2.gz CJRKAHKLBUWHAJ-IAGOWNOFSA-N 1 3 341.515 2.922 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001203456073 1256381372 /nfs/dbraw/zinc/38/13/72/1256381372.db2.gz PLCTVOLEVOTSFI-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000996979196 1256601883 /nfs/dbraw/zinc/60/18/83/1256601883.db2.gz RONULUYDINPKKN-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996995220 1256642633 /nfs/dbraw/zinc/64/26/33/1256642633.db2.gz MLTMKKQTHCZOCV-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996995768 1256644444 /nfs/dbraw/zinc/64/44/44/1256644444.db2.gz QJBBICHQQYXPKL-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000996998485 1256652348 /nfs/dbraw/zinc/65/23/48/1256652348.db2.gz KAVNXESQICMREP-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccccc1 ZINC000996999384 1256654255 /nfs/dbraw/zinc/65/42/55/1256654255.db2.gz NZOZCSPYJLJLLV-IRXDYDNUSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC000997007148 1256670509 /nfs/dbraw/zinc/67/05/09/1256670509.db2.gz OXKXVUSHVYHCDV-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000997007956 1256672538 /nfs/dbraw/zinc/67/25/38/1256672538.db2.gz SEIRSZAVPNSDFJ-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c(C)c1 ZINC000997008508 1256674528 /nfs/dbraw/zinc/67/45/28/1256674528.db2.gz VBNSXJHPBPJWNF-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1)N(C)C ZINC000997008791 1256675854 /nfs/dbraw/zinc/67/58/54/1256675854.db2.gz BJTVNOWMGRULHR-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1)N(C)C ZINC000997009855 1256681065 /nfs/dbraw/zinc/68/10/65/1256681065.db2.gz ORUMMSCMMAKMPO-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1)N(C)C ZINC000997009780 1256681330 /nfs/dbraw/zinc/68/13/30/1256681330.db2.gz NRTOOBSWKXSZLO-AWEZNQCLSA-N 1 3 343.924 2.822 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)c1 ZINC000997009670 1256681711 /nfs/dbraw/zinc/68/17/11/1256681711.db2.gz MIPJYYJTDFUQND-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1)N(C)C ZINC000997014867 1256687667 /nfs/dbraw/zinc/68/76/67/1256687667.db2.gz MJFCSHHKBPGKLO-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000997014624 1256688413 /nfs/dbraw/zinc/68/84/13/1256688413.db2.gz IORVBYOFHCEZCE-OALUTQOASA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC000997015295 1256688998 /nfs/dbraw/zinc/68/89/98/1256688998.db2.gz OJVAIOJQCVFUAC-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1)N(C)C ZINC000997017268 1256692481 /nfs/dbraw/zinc/69/24/81/1256692481.db2.gz ZITOBVFIOPDVIO-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997037124 1256721411 /nfs/dbraw/zinc/72/14/11/1256721411.db2.gz UEKOMNMXQWJQCW-HOTGVXAUSA-N 1 3 332.492 2.749 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000997039580 1256725919 /nfs/dbraw/zinc/72/59/19/1256725919.db2.gz DOOCTAOUHOEERI-UHFFFAOYSA-N 1 3 338.455 2.610 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997070928 1256791940 /nfs/dbraw/zinc/79/19/40/1256791940.db2.gz DNKMUZJHSXPGDD-IZVQQQLMSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997070928 1256791943 /nfs/dbraw/zinc/79/19/43/1256791943.db2.gz DNKMUZJHSXPGDD-IZVQQQLMSA-N 1 3 341.927 2.828 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CCc3cccs3)CC2)CC1 ZINC000997115228 1256951947 /nfs/dbraw/zinc/95/19/47/1256951947.db2.gz KNWPNWAEUAHCKI-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997118339 1256975486 /nfs/dbraw/zinc/97/54/86/1256975486.db2.gz FEIPMOZRMODLJC-ONLMNPRXSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997118339 1256975494 /nfs/dbraw/zinc/97/54/94/1256975494.db2.gz FEIPMOZRMODLJC-ONLMNPRXSA-N 1 3 341.927 2.830 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032405212 1257123410 /nfs/dbraw/zinc/12/34/10/1257123410.db2.gz CRYYPDVBJFSSLS-IHPCNDPISA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032405212 1257123414 /nfs/dbraw/zinc/12/34/14/1257123414.db2.gz CRYYPDVBJFSSLS-IHPCNDPISA-N 1 3 345.531 2.726 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(C)s1 ZINC000997307023 1257386362 /nfs/dbraw/zinc/38/63/62/1257386362.db2.gz LKZPRYDBMKDCRJ-UHFFFAOYSA-N 1 3 335.517 2.541 20 0 EFADHO CC1CC(C[NH2+]C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC000997355918 1257430419 /nfs/dbraw/zinc/43/04/19/1257430419.db2.gz FLWBNCSOYXFQJV-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000997357801 1257444944 /nfs/dbraw/zinc/44/49/44/1257444944.db2.gz ZYVKRAMFUPPUGJ-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445787 1257483115 /nfs/dbraw/zinc/48/31/15/1257483115.db2.gz QRZSXHWRZFSSOB-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445787 1257483117 /nfs/dbraw/zinc/48/31/17/1257483117.db2.gz QRZSXHWRZFSSOB-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032455873 1257519147 /nfs/dbraw/zinc/51/91/47/1257519147.db2.gz DRVPPWCTVNUWLM-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032455873 1257519150 /nfs/dbraw/zinc/51/91/50/1257519150.db2.gz DRVPPWCTVNUWLM-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997435550 1257580409 /nfs/dbraw/zinc/58/04/09/1257580409.db2.gz VFIPNLPXIJEVPQ-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032493082 1257861925 /nfs/dbraw/zinc/86/19/25/1257861925.db2.gz LCXHDKAQQGTLTQ-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032493082 1257861930 /nfs/dbraw/zinc/86/19/30/1257861930.db2.gz LCXHDKAQQGTLTQ-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001203459288 1257959588 /nfs/dbraw/zinc/95/95/88/1257959588.db2.gz BYYVRCDYCXXJLQ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001114998845 1258028103 /nfs/dbraw/zinc/02/81/03/1258028103.db2.gz XDONFIMVZCGJKS-RUYXUALKSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC001114998845 1258028113 /nfs/dbraw/zinc/02/81/13/1258028113.db2.gz XDONFIMVZCGJKS-RUYXUALKSA-N 1 3 335.536 2.735 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000997605763 1258103043 /nfs/dbraw/zinc/10/30/43/1258103043.db2.gz HREFLSTWNNSCOG-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997611891 1258109255 /nfs/dbraw/zinc/10/92/55/1258109255.db2.gz FEIPMOZRMODLJC-DBFKFLLRSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997611891 1258109262 /nfs/dbraw/zinc/10/92/62/1258109262.db2.gz FEIPMOZRMODLJC-DBFKFLLRSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC000997612605 1258111190 /nfs/dbraw/zinc/11/11/90/1258111190.db2.gz JXQAXWYFWPQJDG-BEFAXECRSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997611755 1258113606 /nfs/dbraw/zinc/11/36/06/1258113606.db2.gz HFDSGECZCOGNDD-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000997614308 1258116801 /nfs/dbraw/zinc/11/68/01/1258116801.db2.gz QIPKHDIKWCTTTP-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997614407 1258118108 /nfs/dbraw/zinc/11/81/08/1258118108.db2.gz QFUIOYWWINGEJX-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000997615884 1258119229 /nfs/dbraw/zinc/11/92/29/1258119229.db2.gz XFKDKKXCPXLRCY-KXBFYZLASA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cs1 ZINC000997829837 1258504059 /nfs/dbraw/zinc/50/40/59/1258504059.db2.gz DCAHUPRJCFJKAZ-GOSISDBHSA-N 1 3 349.544 2.725 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1)C1CCC1 ZINC000997831464 1258505557 /nfs/dbraw/zinc/50/55/57/1258505557.db2.gz SQOMXTBKJGCGSI-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C1CCC1 ZINC000997832011 1258506527 /nfs/dbraw/zinc/50/65/27/1258506527.db2.gz XILNZKGNMBAZTA-CEXWTWQISA-N 1 3 347.547 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001203460754 1258542949 /nfs/dbraw/zinc/54/29/49/1258542949.db2.gz WNOAEVRZEKFCDR-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001004202013 1266207979 /nfs/dbraw/zinc/20/79/79/1266207979.db2.gz UYULHGDULHGCAK-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC000998045860 1259020777 /nfs/dbraw/zinc/02/07/77/1259020777.db2.gz GDLKYMWODKOJPA-QGZVFWFLSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001004205525 1266232182 /nfs/dbraw/zinc/23/21/82/1266232182.db2.gz DOSSQUVUQXAAIK-HOTGVXAUSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998081189 1259079896 /nfs/dbraw/zinc/07/98/96/1259079896.db2.gz GSGSNOLRQOEXRH-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000998081624 1259080786 /nfs/dbraw/zinc/08/07/86/1259080786.db2.gz KUGHPCBCKKMEQB-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC000998084082 1259086910 /nfs/dbraw/zinc/08/69/10/1259086910.db2.gz ZEYKORPBSRJSNJ-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC000998084070 1259087706 /nfs/dbraw/zinc/08/77/06/1259087706.db2.gz YOIQDQYYUVUTEY-OAHLLOKOSA-N 1 3 349.544 2.727 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC000998087813 1259092836 /nfs/dbraw/zinc/09/28/36/1259092836.db2.gz YQNDVPPEJMXMPT-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC000998087496 1259092847 /nfs/dbraw/zinc/09/28/47/1259092847.db2.gz XRXURXWDAVQNQS-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCc2cccc(C)c2)C1)N(C)C ZINC001409959008 1266234957 /nfs/dbraw/zinc/23/49/57/1266234957.db2.gz IDCDTMNBUIIOGO-XLIONFOSSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001004207116 1266235141 /nfs/dbraw/zinc/23/51/41/1266235141.db2.gz OOBPSEREPKEOSA-GJZGRUSLSA-N 1 3 335.517 2.702 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998113763 1259125357 /nfs/dbraw/zinc/12/53/57/1259125357.db2.gz CDPRFMDVKQVXCP-MRXNPFEDSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998267922 1259342298 /nfs/dbraw/zinc/34/22/98/1259342298.db2.gz AEOXYAGVHBQWOH-SFHVURJKSA-N 1 3 343.515 2.980 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1F ZINC000998267916 1259342570 /nfs/dbraw/zinc/34/25/70/1259342570.db2.gz ABPXQPKKKVQANJ-INIZCTEOSA-N 1 3 347.478 2.811 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1cccc(F)c1 ZINC000998269281 1259349422 /nfs/dbraw/zinc/34/94/22/1259349422.db2.gz LTMCLWOXGWYMDV-MRXNPFEDSA-N 1 3 347.478 2.811 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000998270554 1259351352 /nfs/dbraw/zinc/35/13/52/1259351352.db2.gz UVXVMMJXNAKAKV-INIZCTEOSA-N 1 3 347.478 2.811 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000998269325 1259354033 /nfs/dbraw/zinc/35/40/33/1259354033.db2.gz MKCBZFRMSCLZTQ-QGZVFWFLSA-N 1 3 329.488 2.672 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]CC3CC3)CC2)c1 ZINC000998282234 1259374684 /nfs/dbraw/zinc/37/46/84/1259374684.db2.gz FXJNLFJWYJCSOY-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCc2ccc([S@@](C)=O)cc2)c1 ZINC000085302728 1259383290 /nfs/dbraw/zinc/38/32/90/1259383290.db2.gz HRKABCIUHMOJAA-DEOSSOPVSA-N 1 3 346.496 2.654 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998289071 1259387481 /nfs/dbraw/zinc/38/74/81/1259387481.db2.gz AALDZCJWYRSZIN-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCC2)C1 ZINC001032627568 1259427581 /nfs/dbraw/zinc/42/75/81/1259427581.db2.gz AIZNWXRIYVNGFM-WDSOQIARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCC2)C1 ZINC001032627568 1259427583 /nfs/dbraw/zinc/42/75/83/1259427583.db2.gz AIZNWXRIYVNGFM-WDSOQIARSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000998536436 1259653747 /nfs/dbraw/zinc/65/37/47/1259653747.db2.gz UMWKNYGITVWJIF-AFMYVXGZSA-N 1 3 343.515 2.785 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000998547891 1259674411 /nfs/dbraw/zinc/67/44/11/1259674411.db2.gz BTUPQAKLGGADRY-JCYILVPMSA-N 1 3 335.879 2.513 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000998547894 1259675537 /nfs/dbraw/zinc/67/55/37/1259675537.db2.gz BTUPQAKLGGADRY-OFLPRAFFSA-N 1 3 335.879 2.513 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036578617 1259730617 /nfs/dbraw/zinc/73/06/17/1259730617.db2.gz ZOCAWTCWDFDZEA-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036580014 1259732972 /nfs/dbraw/zinc/73/29/72/1259732972.db2.gz WEKABABDLGCESQ-YOEHRIQHSA-N 1 3 332.492 2.605 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001036580274 1259733910 /nfs/dbraw/zinc/73/39/10/1259733910.db2.gz ZIFCSESKBGJUAR-VQIMIIECSA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001036599784 1259745445 /nfs/dbraw/zinc/74/54/45/1259745445.db2.gz PMCMNVRDADSGPZ-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(Cl)c1 ZINC000998730849 1259881677 /nfs/dbraw/zinc/88/16/77/1259881677.db2.gz LDNZOAXPRLBKFH-AEFFLSMTSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711020303 1259927714 /nfs/dbraw/zinc/92/77/14/1259927714.db2.gz FVVJXPRHZBWWOT-WDSOQIARSA-N 1 3 329.488 2.627 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946517165 1260204587 /nfs/dbraw/zinc/20/45/87/1260204587.db2.gz AIHSJPYTPHQHCO-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946517165 1260204596 /nfs/dbraw/zinc/20/45/96/1260204596.db2.gz AIHSJPYTPHQHCO-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1 ZINC000946517510 1260207510 /nfs/dbraw/zinc/20/75/10/1260207510.db2.gz HALJDQFFLRNQFS-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2CC1 ZINC000946517510 1260207514 /nfs/dbraw/zinc/20/75/14/1260207514.db2.gz HALJDQFFLRNQFS-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946517862 1260249042 /nfs/dbraw/zinc/24/90/42/1260249042.db2.gz JZNBPMAJAGTJNE-ZCNNSNEGSA-N 1 3 345.531 2.751 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946517862 1260249049 /nfs/dbraw/zinc/24/90/49/1260249049.db2.gz JZNBPMAJAGTJNE-ZCNNSNEGSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000999142971 1260249771 /nfs/dbraw/zinc/24/97/71/1260249771.db2.gz FCEXQUONCPQCDM-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999189092 1260331464 /nfs/dbraw/zinc/33/14/64/1260331464.db2.gz IDHYZYRLNWFFRH-HYVNUMGLSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999189092 1260331468 /nfs/dbraw/zinc/33/14/68/1260331468.db2.gz IDHYZYRLNWFFRH-HYVNUMGLSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000999189091 1260331661 /nfs/dbraw/zinc/33/16/61/1260331661.db2.gz IDHYZYRLNWFFRH-DJIMGWMZSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999189091 1260331671 /nfs/dbraw/zinc/33/16/71/1260331671.db2.gz IDHYZYRLNWFFRH-DJIMGWMZSA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032663812 1260352545 /nfs/dbraw/zinc/35/25/45/1260352545.db2.gz DHZRNVXXADUHQS-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032663812 1260352553 /nfs/dbraw/zinc/35/25/53/1260352553.db2.gz DHZRNVXXADUHQS-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001032665116 1260361679 /nfs/dbraw/zinc/36/16/79/1260361679.db2.gz YLKGPMYPINEFDS-SQNIBIBYSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684825 1260426770 /nfs/dbraw/zinc/42/67/70/1260426770.db2.gz VEHBLYZGEVXJDS-OALUTQOASA-N 1 3 329.488 2.693 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC000999355696 1260538353 /nfs/dbraw/zinc/53/83/53/1260538353.db2.gz VSYRSNSCXAIGKF-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000999348277 1260551996 /nfs/dbraw/zinc/55/19/96/1260551996.db2.gz NEIVKUUWBFYSMN-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000999352672 1260556172 /nfs/dbraw/zinc/55/61/72/1260556172.db2.gz KHOALFHCYUFCLI-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999376401 1260559209 /nfs/dbraw/zinc/55/92/09/1260559209.db2.gz WCAWAZJWOBDQNG-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999377653 1260560591 /nfs/dbraw/zinc/56/05/91/1260560591.db2.gz WPPASOGOFOVTHL-PKOBYXMFSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999362625 1260563647 /nfs/dbraw/zinc/56/36/47/1260563647.db2.gz CCISTFBEMBWVTG-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CC1 ZINC000999362661 1260564255 /nfs/dbraw/zinc/56/42/55/1260564255.db2.gz BIECPGDEMRCVHV-RTBURBONSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999363122 1260564851 /nfs/dbraw/zinc/56/48/51/1260564851.db2.gz CEBWINTWVJZMTD-MOPGFXCFSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999363510 1260565972 /nfs/dbraw/zinc/56/59/72/1260565972.db2.gz HVSIZXMQYFTLOO-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000999364873 1260566949 /nfs/dbraw/zinc/56/69/49/1260566949.db2.gz NXSSGRVOBJYBTQ-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC000999365674 1260567596 /nfs/dbraw/zinc/56/75/96/1260567596.db2.gz RBPDACPHSOLHJM-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000999366106 1260567980 /nfs/dbraw/zinc/56/79/80/1260567980.db2.gz VKNYYHMHWDYQGB-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000999368985 1260569268 /nfs/dbraw/zinc/56/92/68/1260569268.db2.gz IFUBQXIMGKVYQQ-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000999369107 1260570191 /nfs/dbraw/zinc/57/01/91/1260570191.db2.gz IZZQZYFNIXYFEM-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000999369617 1260570961 /nfs/dbraw/zinc/57/09/61/1260570961.db2.gz JUVCDGIYRPPBCM-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000999371055 1260571981 /nfs/dbraw/zinc/57/19/81/1260571981.db2.gz MRXOSUBCRJLXLZ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999398826 1260578111 /nfs/dbraw/zinc/57/81/11/1260578111.db2.gz AMWAUNFLFNCEKV-QHGAOEGBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999418310 1260592928 /nfs/dbraw/zinc/59/29/28/1260592928.db2.gz BNVASVVPVYRTKJ-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000999402639 1260596356 /nfs/dbraw/zinc/59/63/56/1260596356.db2.gz HWEVSVNGLQLIJR-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000999403457 1260596487 /nfs/dbraw/zinc/59/64/87/1260596487.db2.gz PDSZVMSNHHBQNW-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000999403551 1260597676 /nfs/dbraw/zinc/59/76/76/1260597676.db2.gz QVWMRSPMTYYDCV-VNCLNFNDSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000999404206 1260597772 /nfs/dbraw/zinc/59/77/72/1260597772.db2.gz UGDWOISROORGFE-NNGSBXSVSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999403507 1260598126 /nfs/dbraw/zinc/59/81/26/1260598126.db2.gz QFNBOPBWMAJUIX-YCMKEVRSSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999405198 1260598505 /nfs/dbraw/zinc/59/85/05/1260598505.db2.gz CTUVQLVRUUSCMG-KKXNLOMOSA-N 1 3 343.515 2.867 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000999404752 1260598599 /nfs/dbraw/zinc/59/85/99/1260598599.db2.gz ZYXAODGTQHVGAG-PBPGXSGUSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC000999406191 1260600947 /nfs/dbraw/zinc/60/09/47/1260600947.db2.gz MTTIGXMOXADKGF-NVPAJSRCSA-N 1 3 335.517 2.620 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999406785 1260601164 /nfs/dbraw/zinc/60/11/64/1260601164.db2.gz RFJQVQMEVCLPLJ-VNCLNFNDSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999407517 1260602194 /nfs/dbraw/zinc/60/21/94/1260602194.db2.gz WFUFAWFJBIMWRS-FAEJEUNOSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999426476 1260616194 /nfs/dbraw/zinc/61/61/94/1260616194.db2.gz YDHIMEWBLQQXQC-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC000999475280 1260667755 /nfs/dbraw/zinc/66/77/55/1260667755.db2.gz VEJVZMJCAMXJOH-VWDMACCTSA-N 1 3 346.862 2.946 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC000999488513 1260711484 /nfs/dbraw/zinc/71/14/84/1260711484.db2.gz FRPUKUIWRBJYCZ-QZTJIDSGSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC000999495078 1260716401 /nfs/dbraw/zinc/71/64/01/1260716401.db2.gz KTYROZLYAYMNKU-FUHWJXTLSA-N 1 3 343.471 2.854 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001033068887 1266357837 /nfs/dbraw/zinc/35/78/37/1266357837.db2.gz FRUBJPNLYVIEKC-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001033068887 1266357845 /nfs/dbraw/zinc/35/78/45/1266357845.db2.gz FRUBJPNLYVIEKC-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033068840 1266359283 /nfs/dbraw/zinc/35/92/83/1266359283.db2.gz FEAIODTWCFSXRK-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033068840 1266359295 /nfs/dbraw/zinc/35/92/95/1266359295.db2.gz FEAIODTWCFSXRK-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033068840 1266359304 /nfs/dbraw/zinc/35/93/04/1266359304.db2.gz FEAIODTWCFSXRK-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033068840 1266359316 /nfs/dbraw/zinc/35/93/16/1266359316.db2.gz FEAIODTWCFSXRK-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832786 1260944863 /nfs/dbraw/zinc/94/48/63/1260944863.db2.gz IOSDJUJLFHOKLO-UHFFFAOYSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999832774 1260945096 /nfs/dbraw/zinc/94/50/96/1260945096.db2.gz VWZPKKBLIYMHPL-QQFBHYJXSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999832774 1260945099 /nfs/dbraw/zinc/94/50/99/1260945099.db2.gz VWZPKKBLIYMHPL-QQFBHYJXSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c(C)c1 ZINC000999832730 1260945145 /nfs/dbraw/zinc/94/51/45/1260945145.db2.gz HLTKZXSMSSSOGR-UHFFFAOYSA-N 1 3 343.515 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CC3CCC3)C2)c1 ZINC000999870489 1260960332 /nfs/dbraw/zinc/96/03/32/1260960332.db2.gz LNBVNTQYJHUONN-UHFFFAOYSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC000999873707 1260963192 /nfs/dbraw/zinc/96/31/92/1260963192.db2.gz WPFYCKZOBAZART-KRWDZBQOSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033071225 1266377723 /nfs/dbraw/zinc/37/77/23/1266377723.db2.gz XMSHEFSDQSKWNN-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033071225 1266377734 /nfs/dbraw/zinc/37/77/34/1266377734.db2.gz XMSHEFSDQSKWNN-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033071226 1266377880 /nfs/dbraw/zinc/37/78/80/1266377880.db2.gz XMSHEFSDQSKWNN-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033071226 1266377894 /nfs/dbraw/zinc/37/78/94/1266377894.db2.gz XMSHEFSDQSKWNN-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033071051 1266378422 /nfs/dbraw/zinc/37/84/22/1266378422.db2.gz WGTWKLLHLCLBBL-FUHWJXTLSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033071051 1266378435 /nfs/dbraw/zinc/37/84/35/1266378435.db2.gz WGTWKLLHLCLBBL-FUHWJXTLSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033071350 1266381928 /nfs/dbraw/zinc/38/19/28/1266381928.db2.gz ZJOFRFAYRIEFFS-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033071350 1266381938 /nfs/dbraw/zinc/38/19/38/1266381938.db2.gz ZJOFRFAYRIEFFS-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032731378 1261092908 /nfs/dbraw/zinc/09/29/08/1261092908.db2.gz JAPPARXWGIDVTL-FHWLQOOXSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032731378 1261092913 /nfs/dbraw/zinc/09/29/13/1261092913.db2.gz JAPPARXWGIDVTL-FHWLQOOXSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033069865 1266392691 /nfs/dbraw/zinc/39/26/91/1266392691.db2.gz MILGWPUBHAKWAL-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033069865 1266392703 /nfs/dbraw/zinc/39/27/03/1266392703.db2.gz MILGWPUBHAKWAL-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)[C@@H](C)C1 ZINC000921747450 1261355163 /nfs/dbraw/zinc/35/51/63/1261355163.db2.gz OVNXIWAYKJKPEP-PXNSSMCTSA-N 1 3 348.535 2.910 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c(C)c1 ZINC000923306321 1261443509 /nfs/dbraw/zinc/44/35/09/1261443509.db2.gz PMCPJETZNAGMCN-GOSISDBHSA-N 1 3 342.483 2.577 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000923330377 1261467617 /nfs/dbraw/zinc/46/76/17/1261467617.db2.gz DHBQBAKFMOTOJO-DBVUQKKJSA-N 1 3 340.467 2.762 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033073059 1266411411 /nfs/dbraw/zinc/41/14/11/1266411411.db2.gz PVZFMENHLKRFIW-MOPGFXCFSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033073059 1266411412 /nfs/dbraw/zinc/41/14/12/1266411412.db2.gz PVZFMENHLKRFIW-MOPGFXCFSA-N 1 3 329.488 2.592 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001033073034 1266412033 /nfs/dbraw/zinc/41/20/33/1266412033.db2.gz PSWRPMNUALCOHI-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001033073034 1266412037 /nfs/dbraw/zinc/41/20/37/1266412037.db2.gz PSWRPMNUALCOHI-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001033073037 1266412274 /nfs/dbraw/zinc/41/22/74/1266412274.db2.gz PSWRPMNUALCOHI-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001033073037 1266412280 /nfs/dbraw/zinc/41/22/80/1266412280.db2.gz PSWRPMNUALCOHI-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO O[C@H](CN1CC[C@]2(CC[NH2+]C2)C1)Cn1c2ccccc2c2ccccc21 ZINC000923331709 1261507745 /nfs/dbraw/zinc/50/77/45/1261507745.db2.gz HVABUAFMTJQAQF-VGSWGCGISA-N 1 3 349.478 2.841 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923348379 1261514249 /nfs/dbraw/zinc/51/42/49/1261514249.db2.gz FJKKPIGEINEKCE-DOMZBBRYSA-N 1 3 327.266 2.543 20 0 EFADHO Cc1c(C[C@@H](CN)C[NH2+]C2(Cc3ccccc3)CCCC2)cnn1C ZINC000903905573 1261519261 /nfs/dbraw/zinc/51/92/61/1261519261.db2.gz JGQDTSRQQLJINQ-IBGZPJMESA-N 1 3 340.515 2.991 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001006059147 1261549462 /nfs/dbraw/zinc/54/94/62/1261549462.db2.gz GPHRIQTVBWGBKY-LJQANCHMSA-N 1 3 338.455 2.563 20 0 EFADHO Clc1ccccc1OC1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369423 1261563468 /nfs/dbraw/zinc/56/34/68/1261563468.db2.gz KDRQHMFYXHFLPB-HNNXBMFYSA-N 1 3 336.863 2.562 20 0 EFADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000923373885 1261574114 /nfs/dbraw/zinc/57/41/14/1261574114.db2.gz PULBNMPRLCLENE-NVXWUHKLSA-N 1 3 326.868 2.577 20 0 EFADHO C[C@@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000923376591 1261576987 /nfs/dbraw/zinc/57/69/87/1261576987.db2.gz ZSMJAYJUIBIDAG-BPLDGKMQSA-N 1 3 330.394 2.526 20 0 EFADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420755 1261643142 /nfs/dbraw/zinc/64/31/42/1261643142.db2.gz KBGMDHXSEYNDSK-XMCHAPAWSA-N 1 3 337.467 2.871 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420755 1261643150 /nfs/dbraw/zinc/64/31/50/1261643150.db2.gz KBGMDHXSEYNDSK-XMCHAPAWSA-N 1 3 337.467 2.871 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946901905 1261674283 /nfs/dbraw/zinc/67/42/83/1261674283.db2.gz HRNLRRBFSBFCML-HDICACEKSA-N 1 3 343.515 2.942 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946901905 1261674289 /nfs/dbraw/zinc/67/42/89/1261674289.db2.gz HRNLRRBFSBFCML-HDICACEKSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486864 1261743480 /nfs/dbraw/zinc/74/34/80/1261743480.db2.gz KXJKMYCPLGLUOZ-JKSUJKDBSA-N 1 3 325.456 2.688 20 0 EFADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923487166 1261745056 /nfs/dbraw/zinc/74/50/56/1261745056.db2.gz ADLLAXKZPFWHMO-GFCCVEGCSA-N 1 3 344.286 2.623 20 0 EFADHO CCN(c1ccc(NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1)C(C)C ZINC000923482278 1261752800 /nfs/dbraw/zinc/75/28/00/1261752800.db2.gz CWMTVPMAAFZVPU-MRXNPFEDSA-N 1 3 332.492 2.531 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000923490561 1261771644 /nfs/dbraw/zinc/77/16/44/1261771644.db2.gz HDWJNMFAKZSEPL-OXQOHEQNSA-N 1 3 329.488 2.705 20 0 EFADHO CCN(C(=O)CN1CC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923492806 1261776173 /nfs/dbraw/zinc/77/61/73/1261776173.db2.gz OWPDTFNPBLVGJM-INIZCTEOSA-N 1 3 325.456 2.863 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001001006537 1261777530 /nfs/dbraw/zinc/77/75/30/1261777530.db2.gz IJVNXPKEBQQYMF-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032801318 1261784479 /nfs/dbraw/zinc/78/44/79/1261784479.db2.gz PUQGKWQWRKEKGA-OALUTQOASA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498925 1261793957 /nfs/dbraw/zinc/79/39/57/1261793957.db2.gz QWLSYYRQUKJLPN-ZACQAIPSSA-N 1 3 344.503 2.531 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCC1 ZINC001032803998 1261850783 /nfs/dbraw/zinc/85/07/83/1261850783.db2.gz SVYBVGAZZIENJH-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC000947980432 1261885171 /nfs/dbraw/zinc/88/51/71/1261885171.db2.gz QGBDRLKPYRSYEB-CJNGLKHVSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC000947980432 1261885182 /nfs/dbraw/zinc/88/51/82/1261885182.db2.gz QGBDRLKPYRSYEB-CJNGLKHVSA-N 1 3 332.492 2.666 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)N1CCCC1 ZINC001078695599 1262223959 /nfs/dbraw/zinc/22/39/59/1262223959.db2.gz OPBJICRUKGBHQA-IRXDYDNUSA-N 1 3 333.520 2.678 20 0 EFADHO CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819226 1262362175 /nfs/dbraw/zinc/36/21/75/1262362175.db2.gz KGMIILSXUNLVQV-QZTJIDSGSA-N 1 3 329.488 2.789 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033093183 1266497945 /nfs/dbraw/zinc/49/79/45/1266497945.db2.gz XRRNXAMXUIZLKJ-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033093183 1266497952 /nfs/dbraw/zinc/49/79/52/1266497952.db2.gz XRRNXAMXUIZLKJ-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882248 1262464493 /nfs/dbraw/zinc/46/44/93/1262464493.db2.gz QBWSHESIYMBSDR-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001033090534 1266503504 /nfs/dbraw/zinc/50/35/04/1266503504.db2.gz CBMCOFCQAGXLJJ-NSISKUIASA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001033090534 1266503509 /nfs/dbraw/zinc/50/35/09/1266503509.db2.gz CBMCOFCQAGXLJJ-NSISKUIASA-N 1 3 343.515 2.622 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN2CCC(C)CC2)cs1 ZINC001485937435 1262535976 /nfs/dbraw/zinc/53/59/76/1262535976.db2.gz FRSIUVJYAWALIW-OAHLLOKOSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001485943698 1262543297 /nfs/dbraw/zinc/54/32/97/1262543297.db2.gz CLKVTPGDWAJDFY-KXBFYZLASA-N 1 3 348.535 2.790 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001486128736 1262661610 /nfs/dbraw/zinc/66/16/10/1262661610.db2.gz LLNYUNMEGVWGBH-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001486201908 1262786644 /nfs/dbraw/zinc/78/66/44/1262786644.db2.gz IGKHHODEZGSBFS-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000921858344 1262901351 /nfs/dbraw/zinc/90/13/51/1262901351.db2.gz DZCWRCBXZGLJSS-UXHICEINSA-N 1 3 332.488 2.861 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@@H]4O)CC3)ccc2O1 ZINC000921859336 1262914029 /nfs/dbraw/zinc/91/40/29/1262914029.db2.gz KVGHKGVAOLKMEO-XPGWFJOJSA-N 1 3 344.499 2.868 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001486466721 1263182240 /nfs/dbraw/zinc/18/22/40/1263182240.db2.gz MPPKZUNLMOYPDI-MHJFOBGBSA-N 1 3 345.531 2.914 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082507549 1263201204 /nfs/dbraw/zinc/20/12/04/1263201204.db2.gz VNRYPNUEGSGCMJ-QRQLOZEOSA-N 1 3 335.536 2.876 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001486476468 1263203084 /nfs/dbraw/zinc/20/30/84/1263203084.db2.gz BFEMLLREOQSIPL-UHFFFAOYSA-N 1 3 345.531 2.786 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC001486481526 1263218595 /nfs/dbraw/zinc/21/85/95/1263218595.db2.gz RMUUCRNRMYASIC-UHFFFAOYSA-N 1 3 343.924 2.822 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559450 1263221433 /nfs/dbraw/zinc/22/14/33/1263221433.db2.gz FSKAVFBIVOCUCE-CDHQVMDDSA-N 1 3 343.515 2.526 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001082557596 1263221625 /nfs/dbraw/zinc/22/16/25/1263221625.db2.gz RITMXHDKVPRGRY-ZIFCJYIRSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001082561860 1263224381 /nfs/dbraw/zinc/22/43/81/1263224381.db2.gz WTGQNIMJPZCNAE-FUHIMQAGSA-N 1 3 343.515 2.977 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001082574954 1263228885 /nfs/dbraw/zinc/22/88/85/1263228885.db2.gz CBPCPZOEIDHYEF-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001082574986 1263229097 /nfs/dbraw/zinc/22/90/97/1263229097.db2.gz DOYUTDCKUXVJLN-LZQZEXGQSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001082747192 1263291021 /nfs/dbraw/zinc/29/10/21/1263291021.db2.gz DDPSYXUVWIDNAK-QRQLOZEOSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001082747145 1263291667 /nfs/dbraw/zinc/29/16/67/1263291667.db2.gz AJASQVFMTHWFJE-RLLQIKCJSA-N 1 3 345.531 2.889 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001082748291 1263293301 /nfs/dbraw/zinc/29/33/01/1263293301.db2.gz FCJLIDYGPVKCGC-YSGRDPCXSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001082748748 1263297745 /nfs/dbraw/zinc/29/77/45/1263297745.db2.gz ZNGLKYKVPPCXFK-QRQLOZEOSA-N 1 3 331.504 2.580 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082724829 1263303569 /nfs/dbraw/zinc/30/35/69/1263303569.db2.gz MYMCJONUTYWALI-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001082740976 1263312847 /nfs/dbraw/zinc/31/28/47/1263312847.db2.gz MEKOUHYXGLOXES-IIDMSEBBSA-N 1 3 349.906 2.761 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001082741355 1263312919 /nfs/dbraw/zinc/31/29/19/1263312919.db2.gz YNSHSFIAILIVSE-FUHIMQAGSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001082740648 1263314406 /nfs/dbraw/zinc/31/44/06/1263314406.db2.gz BAFVPVPGQKDGRQ-WSTZPKSXSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082741134 1263314712 /nfs/dbraw/zinc/31/47/12/1263314712.db2.gz QIXCQIBLCIDDBX-JTDSTZFVSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001082741810 1263315130 /nfs/dbraw/zinc/31/51/30/1263315130.db2.gz DLTFVPXTGSZYMD-ILZDJORESA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082861881 1263374246 /nfs/dbraw/zinc/37/42/46/1263374246.db2.gz RGDMGJXWUXICMS-RVKKMQEKSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082861881 1263374255 /nfs/dbraw/zinc/37/42/55/1263374255.db2.gz RGDMGJXWUXICMS-RVKKMQEKSA-N 1 3 349.906 2.618 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C)C1 ZINC001082940902 1263420592 /nfs/dbraw/zinc/42/05/92/1263420592.db2.gz AAYSLPWIZAUNEY-GFINZBGFSA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001082943558 1263424886 /nfs/dbraw/zinc/42/48/86/1263424886.db2.gz NZJSQPDEUYRMDK-OIISXLGYSA-N 1 3 335.517 2.559 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082943614 1263425663 /nfs/dbraw/zinc/42/56/63/1263425663.db2.gz SHGFLDVBHJESTR-KBAYOESNSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084338311 1263831482 /nfs/dbraw/zinc/83/14/82/1263831482.db2.gz NFVCYIRYBNQQMM-GUDVDZBRSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084338311 1263831499 /nfs/dbraw/zinc/83/14/99/1263831499.db2.gz NFVCYIRYBNQQMM-GUDVDZBRSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084338227 1263831758 /nfs/dbraw/zinc/83/17/58/1263831758.db2.gz KIMMQBXBGHWWRC-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084338227 1263831775 /nfs/dbraw/zinc/83/17/75/1263831775.db2.gz KIMMQBXBGHWWRC-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345678 1263840064 /nfs/dbraw/zinc/84/00/64/1263840064.db2.gz KQVMHNFBKJGRII-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084345678 1263840073 /nfs/dbraw/zinc/84/00/73/1263840073.db2.gz KQVMHNFBKJGRII-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001084389020 1263902916 /nfs/dbraw/zinc/90/29/16/1263902916.db2.gz OPYVNEVOXGJQIE-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(CC)CC)C[C@H]21 ZINC001084389020 1263902922 /nfs/dbraw/zinc/90/29/22/1263902922.db2.gz OPYVNEVOXGJQIE-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084388698 1263903146 /nfs/dbraw/zinc/90/31/46/1263903146.db2.gz AWSBJXDTBBMNOW-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084388698 1263903155 /nfs/dbraw/zinc/90/31/55/1263903155.db2.gz AWSBJXDTBBMNOW-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084545550 1264014040 /nfs/dbraw/zinc/01/40/40/1264014040.db2.gz OGVWMYZHACWALK-VAMGGRTRSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084545550 1264014046 /nfs/dbraw/zinc/01/40/46/1264014046.db2.gz OGVWMYZHACWALK-VAMGGRTRSA-N 1 3 345.531 2.584 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001002792422 1264080179 /nfs/dbraw/zinc/08/01/79/1264080179.db2.gz MWIRKXZFGDFJQS-QGZVFWFLSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001002792422 1264080186 /nfs/dbraw/zinc/08/01/86/1264080186.db2.gz MWIRKXZFGDFJQS-QGZVFWFLSA-N 1 3 335.517 2.702 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001002860707 1264186604 /nfs/dbraw/zinc/18/66/04/1264186604.db2.gz QSPFCGJDLPQLGC-RDTXWAMCSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001002860707 1264186608 /nfs/dbraw/zinc/18/66/08/1264186608.db2.gz QSPFCGJDLPQLGC-RDTXWAMCSA-N 1 3 349.544 2.786 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701344 1264244724 /nfs/dbraw/zinc/24/47/24/1264244724.db2.gz ZBGISLDXJBIWLE-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701344 1264244728 /nfs/dbraw/zinc/24/47/28/1264244728.db2.gz ZBGISLDXJBIWLE-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)c1ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001272969189 1264379533 /nfs/dbraw/zinc/37/95/33/1264379533.db2.gz NYRJNWLLWDCYAN-NRFANRHFSA-N 1 3 343.515 2.796 20 0 EFADHO CC(C)c1ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001272969189 1264379538 /nfs/dbraw/zinc/37/95/38/1264379538.db2.gz NYRJNWLLWDCYAN-NRFANRHFSA-N 1 3 343.515 2.796 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852179 1264532740 /nfs/dbraw/zinc/53/27/40/1264532740.db2.gz LDIQHFMSWITKRE-ILZDJORESA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852179 1264532744 /nfs/dbraw/zinc/53/27/44/1264532744.db2.gz LDIQHFMSWITKRE-ILZDJORESA-N 1 3 343.515 2.941 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccnc3CC2)C[C@H](C)O1 ZINC000421847669 1264597468 /nfs/dbraw/zinc/59/74/68/1264597468.db2.gz YBJSYWGKENUUQP-ZIFCJYIRSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001084953505 1264754444 /nfs/dbraw/zinc/75/44/44/1264754444.db2.gz QSHYGRATZIYGDE-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)C)[C@H]2C1 ZINC001084953505 1264754448 /nfs/dbraw/zinc/75/44/48/1264754448.db2.gz QSHYGRATZIYGDE-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@H]2C1)N(C)C ZINC001084964754 1264776891 /nfs/dbraw/zinc/77/68/91/1264776891.db2.gz ONJGIWHCSIHKMP-QYZOEREBSA-N 1 3 349.563 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@H]2C1)N(C)C ZINC001084964754 1264776908 /nfs/dbraw/zinc/77/69/08/1264776908.db2.gz ONJGIWHCSIHKMP-QYZOEREBSA-N 1 3 349.563 2.932 20 0 EFADHO Clc1cccc2c1C[C@@H](N[C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001168709515 1264788014 /nfs/dbraw/zinc/78/80/14/1264788014.db2.gz SZHLWYFPZDIXMJ-SJORKVTESA-N 1 3 334.891 2.898 20 0 EFADHO Clc1cccc2c1C[C@@H](N[C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001168709515 1264788019 /nfs/dbraw/zinc/78/80/19/1264788019.db2.gz SZHLWYFPZDIXMJ-SJORKVTESA-N 1 3 334.891 2.898 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001410327706 1264814443 /nfs/dbraw/zinc/81/44/43/1264814443.db2.gz VKICUWUYEOHUMU-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997960 1264876034 /nfs/dbraw/zinc/87/60/34/1264876034.db2.gz KDRAZZXGHVMBBK-HOJAQTOUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997960 1264876041 /nfs/dbraw/zinc/87/60/41/1264876041.db2.gz KDRAZZXGHVMBBK-HOJAQTOUSA-N 1 3 347.547 2.830 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997932 1264876781 /nfs/dbraw/zinc/87/67/81/1264876781.db2.gz HUHRQXGJNDNGCA-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997932 1264876789 /nfs/dbraw/zinc/87/67/89/1264876789.db2.gz HUHRQXGJNDNGCA-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)N(C)C ZINC001085024987 1264955948 /nfs/dbraw/zinc/95/59/48/1264955948.db2.gz TVXDTRPEDMUMHS-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)N(C)C ZINC001085024987 1264955958 /nfs/dbraw/zinc/95/59/58/1264955958.db2.gz TVXDTRPEDMUMHS-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001003626905 1264978297 /nfs/dbraw/zinc/97/82/97/1264978297.db2.gz XFGPVIQNXQCGIL-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001003622943 1264981432 /nfs/dbraw/zinc/98/14/32/1264981432.db2.gz DNCIGRYYCKTONN-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c(C)c1 ZINC001003625477 1264985641 /nfs/dbraw/zinc/98/56/41/1264985641.db2.gz GTTKAJBBVHWMBZ-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001003626063 1264986111 /nfs/dbraw/zinc/98/61/11/1264986111.db2.gz KTTKWHKBKZOSSF-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003625505 1264986151 /nfs/dbraw/zinc/98/61/51/1264986151.db2.gz HIPFCSDXWVHEIE-FUHWJXTLSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001003626501 1264987229 /nfs/dbraw/zinc/98/72/29/1264987229.db2.gz RDNOUWTVLMTROZ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC001003626889 1264988366 /nfs/dbraw/zinc/98/83/66/1264988366.db2.gz WVHXJHUCTRPOFF-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001003627875 1264996224 /nfs/dbraw/zinc/99/62/24/1264996224.db2.gz IZZKZSUWSQNQKW-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001003628136 1264997485 /nfs/dbraw/zinc/99/74/85/1264997485.db2.gz MGEYDPWRHDZSJG-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628689 1264997796 /nfs/dbraw/zinc/99/77/96/1264997796.db2.gz TZKWXFJBUKQYKJ-KDOFPFPSSA-N 1 3 345.478 2.528 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC001003628119 1264998434 /nfs/dbraw/zinc/99/84/34/1264998434.db2.gz LQWSRMBFDUMHDQ-SFHVURJKSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001003628135 1264998466 /nfs/dbraw/zinc/99/84/66/1264998466.db2.gz MGEYDPWRHDZSJG-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001410393789 1265003280 /nfs/dbraw/zinc/00/32/80/1265003280.db2.gz VVJPFNDGPVWGFI-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001085049648 1265028821 /nfs/dbraw/zinc/02/88/21/1265028821.db2.gz QARNQTFHWJOICP-SQNIBIBYSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001085049648 1265028831 /nfs/dbraw/zinc/02/88/31/1265028831.db2.gz QARNQTFHWJOICP-SQNIBIBYSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001085049647 1265029753 /nfs/dbraw/zinc/02/97/53/1265029753.db2.gz QARNQTFHWJOICP-KURKYZTESA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001085049647 1265029758 /nfs/dbraw/zinc/02/97/58/1265029758.db2.gz QARNQTFHWJOICP-KURKYZTESA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001410430597 1265162101 /nfs/dbraw/zinc/16/21/01/1265162101.db2.gz FPYYNYZVNXXJIM-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001410436701 1265246368 /nfs/dbraw/zinc/24/63/68/1265246368.db2.gz NTKXIAXTJUJRQZ-YPMHNXCESA-N 1 3 331.913 2.678 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075330 1266444594 /nfs/dbraw/zinc/44/45/94/1266444594.db2.gz FURBUNMAGCPHDH-HZPDHXFCSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075330 1266444599 /nfs/dbraw/zinc/44/45/99/1266444599.db2.gz FURBUNMAGCPHDH-HZPDHXFCSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592316 1266601680 /nfs/dbraw/zinc/60/16/80/1266601680.db2.gz HNXHSIHQMQKQSB-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592316 1266601687 /nfs/dbraw/zinc/60/16/87/1266601687.db2.gz HNXHSIHQMQKQSB-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004365270 1266770711 /nfs/dbraw/zinc/77/07/11/1266770711.db2.gz DNEIXMABSDTXJU-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004365270 1266770713 /nfs/dbraw/zinc/77/07/13/1266770713.db2.gz DNEIXMABSDTXJU-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1NCCF)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199519 1266781941 /nfs/dbraw/zinc/78/19/41/1266781941.db2.gz PYKXTSSFYDTJOO-CGTJXYLNSA-N 1 3 339.499 2.628 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1NCCF)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199519 1266781950 /nfs/dbraw/zinc/78/19/50/1266781950.db2.gz PYKXTSSFYDTJOO-CGTJXYLNSA-N 1 3 339.499 2.628 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1NCCF)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085199520 1266782316 /nfs/dbraw/zinc/78/23/16/1266782316.db2.gz PYKXTSSFYDTJOO-KBAYOESNSA-N 1 3 339.499 2.628 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1NCCF)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199520 1266782330 /nfs/dbraw/zinc/78/23/30/1266782330.db2.gz PYKXTSSFYDTJOO-KBAYOESNSA-N 1 3 339.499 2.628 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004375175 1266816788 /nfs/dbraw/zinc/81/67/88/1266816788.db2.gz OURXENVMCHDUOJ-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004375175 1266816803 /nfs/dbraw/zinc/81/68/03/1266816803.db2.gz OURXENVMCHDUOJ-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001410507925 1266978190 /nfs/dbraw/zinc/97/81/90/1266978190.db2.gz ZLXDMSSBVHWYGS-WBMJQRKESA-N 1 3 343.874 2.756 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)C1CCC1 ZINC001004455000 1267081040 /nfs/dbraw/zinc/08/10/40/1267081040.db2.gz BXLPQXRUGCFRBO-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)C1CCC1 ZINC001004455000 1267081047 /nfs/dbraw/zinc/08/10/47/1267081047.db2.gz BXLPQXRUGCFRBO-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)CCC1 ZINC001004456867 1267086814 /nfs/dbraw/zinc/08/68/14/1267086814.db2.gz IOZPPTLWSAJJIG-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)CCC1 ZINC001004456867 1267086820 /nfs/dbraw/zinc/08/68/20/1267086820.db2.gz IOZPPTLWSAJJIG-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CCC1 ZINC001004458723 1267095301 /nfs/dbraw/zinc/09/53/01/1267095301.db2.gz PAKCLQZRDZMGOC-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1)C1CCC1 ZINC001004458723 1267095314 /nfs/dbraw/zinc/09/53/14/1267095314.db2.gz PAKCLQZRDZMGOC-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459387 1267097285 /nfs/dbraw/zinc/09/72/85/1267097285.db2.gz UEWYYIYNNYATIF-UXHICEINSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459387 1267097295 /nfs/dbraw/zinc/09/72/95/1267097295.db2.gz UEWYYIYNNYATIF-UXHICEINSA-N 1 3 347.547 2.996 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1)C1CCC1 ZINC001004459330 1267097740 /nfs/dbraw/zinc/09/77/40/1267097740.db2.gz PMPISZFFQIWMIP-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1)C1CCC1 ZINC001004459330 1267097747 /nfs/dbraw/zinc/09/77/47/1267097747.db2.gz PMPISZFFQIWMIP-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1)N(C)C ZINC001004466835 1267107994 /nfs/dbraw/zinc/10/79/94/1267107994.db2.gz WEEPQDHCLKQYCB-ROUUACIJSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1)N(C)C ZINC001004466835 1267107999 /nfs/dbraw/zinc/10/79/99/1267107999.db2.gz WEEPQDHCLKQYCB-ROUUACIJSA-N 1 3 341.515 2.635 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033125403 1267150774 /nfs/dbraw/zinc/15/07/74/1267150774.db2.gz CUUQVMSLPKQIOD-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033125403 1267150784 /nfs/dbraw/zinc/15/07/84/1267150784.db2.gz CUUQVMSLPKQIOD-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125413 1267151385 /nfs/dbraw/zinc/15/13/85/1267151385.db2.gz CZRALIYNYQAKBV-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125413 1267151390 /nfs/dbraw/zinc/15/13/90/1267151390.db2.gz CZRALIYNYQAKBV-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085332349 1267179794 /nfs/dbraw/zinc/17/97/94/1267179794.db2.gz UFBDVBDWZJLRCC-RKVPGOIHSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)C1 ZINC001085332471 1267180027 /nfs/dbraw/zinc/18/00/27/1267180027.db2.gz ZPTVRGAULSLLCO-GPMSIDNRSA-N 1 3 339.499 2.626 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)C4(N(C)C)CCC4)CC[C@@H]3C2)C1 ZINC000946623294 1267214641 /nfs/dbraw/zinc/21/46/41/1267214641.db2.gz GKMJUXGOCBOWPR-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)C4(N(C)C)CCC4)CC[C@@H]3C2)C1 ZINC000946623294 1267214650 /nfs/dbraw/zinc/21/46/50/1267214650.db2.gz GKMJUXGOCBOWPR-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004547099 1267269511 /nfs/dbraw/zinc/26/95/11/1267269511.db2.gz LIZRREQWYDSRJS-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004547099 1267269518 /nfs/dbraw/zinc/26/95/18/1267269518.db2.gz LIZRREQWYDSRJS-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004549219 1267271994 /nfs/dbraw/zinc/27/19/94/1267271994.db2.gz VKMGCNKUMJFBIP-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004549219 1267272002 /nfs/dbraw/zinc/27/20/02/1267272002.db2.gz VKMGCNKUMJFBIP-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549236 1267275324 /nfs/dbraw/zinc/27/53/24/1267275324.db2.gz VSHODIDCYSQKPK-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549236 1267275329 /nfs/dbraw/zinc/27/53/29/1267275329.db2.gz VSHODIDCYSQKPK-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004549230 1267275505 /nfs/dbraw/zinc/27/55/05/1267275505.db2.gz VLYAFHDCDFODPU-VQIMIIECSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004549230 1267275517 /nfs/dbraw/zinc/27/55/17/1267275517.db2.gz VLYAFHDCDFODPU-VQIMIIECSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549258 1267276361 /nfs/dbraw/zinc/27/63/61/1267276361.db2.gz WMMKYCGCQSDERN-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549258 1267276369 /nfs/dbraw/zinc/27/63/69/1267276369.db2.gz WMMKYCGCQSDERN-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001004617494 1267410588 /nfs/dbraw/zinc/41/05/88/1267410588.db2.gz QLGKTMQOOOUCAX-RLXIPRIJSA-N 1 3 339.911 2.538 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001004617494 1267410591 /nfs/dbraw/zinc/41/05/91/1267410591.db2.gz QLGKTMQOOOUCAX-RLXIPRIJSA-N 1 3 339.911 2.538 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946642281 1267448384 /nfs/dbraw/zinc/44/83/84/1267448384.db2.gz CJGLVIDVXSONJR-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946642281 1267448387 /nfs/dbraw/zinc/44/83/87/1267448387.db2.gz CJGLVIDVXSONJR-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001086602692 1278343095 /nfs/dbraw/zinc/34/30/95/1278343095.db2.gz MWHPKUGCRRCKND-RBUKOAKNSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001086602692 1278343108 /nfs/dbraw/zinc/34/31/08/1278343108.db2.gz MWHPKUGCRRCKND-RBUKOAKNSA-N 1 3 343.515 2.853 20 0 EFADHO CCCc1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)s1 ZINC001273341738 1267675325 /nfs/dbraw/zinc/67/53/25/1267675325.db2.gz UVENBWRWQKKFGY-LJQANCHMSA-N 1 3 349.544 2.829 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001128533276 1267703596 /nfs/dbraw/zinc/70/35/96/1267703596.db2.gz KLOSSCKGISOVNQ-OAHLLOKOSA-N 1 3 345.409 2.510 20 0 EFADHO CC1CC(CN2CC[C@H]2CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001038555244 1267732454 /nfs/dbraw/zinc/73/24/54/1267732454.db2.gz KWQQFYSQJJZRHJ-TVPLGVNVSA-N 1 3 343.515 2.641 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001128540263 1267733728 /nfs/dbraw/zinc/73/37/28/1267733728.db2.gz SZLAPVSWPYKVDG-SFHVURJKSA-N 1 3 337.483 2.696 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085629376 1268051774 /nfs/dbraw/zinc/05/17/74/1268051774.db2.gz SFWMQWWPMCMDNW-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085629376 1268051779 /nfs/dbraw/zinc/05/17/79/1268051779.db2.gz SFWMQWWPMCMDNW-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085629141 1268053599 /nfs/dbraw/zinc/05/35/99/1268053599.db2.gz MIANWUISOPVFQD-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085629141 1268053613 /nfs/dbraw/zinc/05/36/13/1268053613.db2.gz MIANWUISOPVFQD-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085629255 1268054446 /nfs/dbraw/zinc/05/44/46/1268054446.db2.gz QBKZXRIGXOGBLL-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085629255 1268054459 /nfs/dbraw/zinc/05/44/59/1268054459.db2.gz QBKZXRIGXOGBLL-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639054 1268091240 /nfs/dbraw/zinc/09/12/40/1268091240.db2.gz HBMZXUWAGWJMFM-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639054 1268091252 /nfs/dbraw/zinc/09/12/52/1268091252.db2.gz HBMZXUWAGWJMFM-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765664 1268267515 /nfs/dbraw/zinc/26/75/15/1268267515.db2.gz UCFOOOYXMWIEEH-INDMIFKZSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765664 1268267525 /nfs/dbraw/zinc/26/75/25/1268267525.db2.gz UCFOOOYXMWIEEH-INDMIFKZSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001033227004 1268305873 /nfs/dbraw/zinc/30/58/73/1268305873.db2.gz XWNQAWUJGDDDRR-IBGZPJMESA-N 1 3 341.499 2.656 20 0 EFADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033229707 1268338883 /nfs/dbraw/zinc/33/88/83/1268338883.db2.gz VPCZCBDUWQDGSK-SFHVURJKSA-N 1 3 331.504 2.648 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946776895 1268464316 /nfs/dbraw/zinc/46/43/16/1268464316.db2.gz WLYYFYMRWOWPSV-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946776895 1268464319 /nfs/dbraw/zinc/46/43/19/1268464319.db2.gz WLYYFYMRWOWPSV-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085780025 1268495702 /nfs/dbraw/zinc/49/57/02/1268495702.db2.gz JKGNNAURZIYQHU-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085780025 1268495705 /nfs/dbraw/zinc/49/57/05/1268495705.db2.gz JKGNNAURZIYQHU-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085780024 1268495881 /nfs/dbraw/zinc/49/58/81/1268495881.db2.gz JKGNNAURZIYQHU-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085780024 1268495882 /nfs/dbraw/zinc/49/58/82/1268495882.db2.gz JKGNNAURZIYQHU-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946778986 1268504740 /nfs/dbraw/zinc/50/47/40/1268504740.db2.gz AXZRZKZZXQUEGN-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946778986 1268504747 /nfs/dbraw/zinc/50/47/47/1268504747.db2.gz AXZRZKZZXQUEGN-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO CN(C[C@@H]1CCN1[C@@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001085799270 1268595780 /nfs/dbraw/zinc/59/57/80/1268595780.db2.gz NTJJCXGIYGHBLC-AZUAARDMSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033318351 1268779705 /nfs/dbraw/zinc/77/97/05/1268779705.db2.gz IDDHPNKNAASPIA-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033318351 1268779711 /nfs/dbraw/zinc/77/97/11/1268779711.db2.gz IDDHPNKNAASPIA-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875853 1268901804 /nfs/dbraw/zinc/90/18/04/1268901804.db2.gz LCEQNHZGLQOOFA-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354684 1268935430 /nfs/dbraw/zinc/93/54/30/1268935430.db2.gz RJYLWMAGFBLITH-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354684 1268935438 /nfs/dbraw/zinc/93/54/38/1268935438.db2.gz RJYLWMAGFBLITH-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001033361416 1268936980 /nfs/dbraw/zinc/93/69/80/1268936980.db2.gz MWKQSOQIQSFBDE-IHPCNDPISA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001033361416 1268936985 /nfs/dbraw/zinc/93/69/85/1268936985.db2.gz MWKQSOQIQSFBDE-IHPCNDPISA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033414540 1269080987 /nfs/dbraw/zinc/08/09/87/1269080987.db2.gz CMWBGKGPYOIIIE-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033414540 1269080994 /nfs/dbraw/zinc/08/09/94/1269080994.db2.gz CMWBGKGPYOIIIE-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415105 1269081945 /nfs/dbraw/zinc/08/19/45/1269081945.db2.gz GXAITGHICCRTOQ-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415105 1269081951 /nfs/dbraw/zinc/08/19/51/1269081951.db2.gz GXAITGHICCRTOQ-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415104 1269082097 /nfs/dbraw/zinc/08/20/97/1269082097.db2.gz GXAITGHICCRTOQ-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415104 1269082106 /nfs/dbraw/zinc/08/21/06/1269082106.db2.gz GXAITGHICCRTOQ-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415864 1269085381 /nfs/dbraw/zinc/08/53/81/1269085381.db2.gz MBHMJWWCKNDEGP-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415864 1269085390 /nfs/dbraw/zinc/08/53/90/1269085390.db2.gz MBHMJWWCKNDEGP-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417263 1269091537 /nfs/dbraw/zinc/09/15/37/1269091537.db2.gz VRPXBPOFYRQALJ-QAPCUYQASA-N 1 3 327.488 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417263 1269091550 /nfs/dbraw/zinc/09/15/50/1269091550.db2.gz VRPXBPOFYRQALJ-QAPCUYQASA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccsc3)C2)C1 ZINC001033418998 1269100227 /nfs/dbraw/zinc/10/02/27/1269100227.db2.gz GDZWYEIYLZMJKY-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC001033418998 1269100231 /nfs/dbraw/zinc/10/02/31/1269100231.db2.gz GDZWYEIYLZMJKY-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033420987 1269125304 /nfs/dbraw/zinc/12/53/04/1269125304.db2.gz SVGIJCCFHMSQJZ-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033420987 1269125311 /nfs/dbraw/zinc/12/53/11/1269125311.db2.gz SVGIJCCFHMSQJZ-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C[C@H]1CCN1CCC1=CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085927881 1269128146 /nfs/dbraw/zinc/12/81/46/1269128146.db2.gz JDZYZMKTQQUDFH-GOSISDBHSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001033423979 1269129164 /nfs/dbraw/zinc/12/91/64/1269129164.db2.gz PSVKJJUIDFVUPL-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001033423979 1269129169 /nfs/dbraw/zinc/12/91/69/1269129169.db2.gz PSVKJJUIDFVUPL-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cc(OC)ccc2OC)C[C@H]1C ZINC000740884263 1269151755 /nfs/dbraw/zinc/15/17/55/1269151755.db2.gz SSLXRXIYXXWTGK-VKJFTORMSA-N 1 3 336.476 2.542 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cc(OC)ccc2OC)C[C@H]1C ZINC000740884263 1269151760 /nfs/dbraw/zinc/15/17/60/1269151760.db2.gz SSLXRXIYXXWTGK-VKJFTORMSA-N 1 3 336.476 2.542 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC001005185428 1269330518 /nfs/dbraw/zinc/33/05/18/1269330518.db2.gz RBMKICMESNZEAF-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005177696 1269336480 /nfs/dbraw/zinc/33/64/80/1269336480.db2.gz CYFOQNPINCHFIU-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001005180630 1269339558 /nfs/dbraw/zinc/33/95/58/1269339558.db2.gz UENJGBSZIZKJNO-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001005180385 1269339996 /nfs/dbraw/zinc/33/99/96/1269339996.db2.gz RTYCXFODNSRZDA-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986926 1269398965 /nfs/dbraw/zinc/39/89/65/1269398965.db2.gz PPPMDKUACMVSAZ-NVXWUHKLSA-N 1 3 335.467 2.643 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033573396 1269471965 /nfs/dbraw/zinc/47/19/65/1269471965.db2.gz GQYOOZKKHCYHKP-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033573396 1269471969 /nfs/dbraw/zinc/47/19/69/1269471969.db2.gz GQYOOZKKHCYHKP-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579976 1269486031 /nfs/dbraw/zinc/48/60/31/1269486031.db2.gz BXFPDFRBQNYWGG-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579976 1269486032 /nfs/dbraw/zinc/48/60/32/1269486032.db2.gz BXFPDFRBQNYWGG-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033593644 1269516872 /nfs/dbraw/zinc/51/68/72/1269516872.db2.gz JBLMBRBBGYVBKN-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033593644 1269516880 /nfs/dbraw/zinc/51/68/80/1269516880.db2.gz JBLMBRBBGYVBKN-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO CC/C=C\CCCCC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273133705 1269669496 /nfs/dbraw/zinc/66/94/96/1269669496.db2.gz FIEBNPCJXBGEGX-PRPIBZDOSA-N 1 3 335.536 2.999 20 0 EFADHO CC/C=C\CCCCC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273133705 1269669499 /nfs/dbraw/zinc/66/94/99/1269669499.db2.gz FIEBNPCJXBGEGX-PRPIBZDOSA-N 1 3 335.536 2.999 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687153 1269804440 /nfs/dbraw/zinc/80/44/40/1269804440.db2.gz YVSNEOFHDHKVNN-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687153 1269804451 /nfs/dbraw/zinc/80/44/51/1269804451.db2.gz YVSNEOFHDHKVNN-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001086085265 1269860486 /nfs/dbraw/zinc/86/04/86/1269860486.db2.gz ZBNWTVVNRNTFGG-JZXOWHBKSA-N 1 3 349.544 2.648 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086102250 1269971994 /nfs/dbraw/zinc/97/19/94/1269971994.db2.gz OQCUMVOQILXMSZ-ZCNNSNEGSA-N 1 3 343.515 2.588 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H]1C ZINC001410874080 1269986327 /nfs/dbraw/zinc/98/63/27/1269986327.db2.gz WEOOEWOQXVOFOR-CRAIPNDOSA-N 1 3 335.467 2.555 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)C[C@H]1C ZINC001410893848 1270122278 /nfs/dbraw/zinc/12/22/78/1270122278.db2.gz WGRPNVSTMUXXNL-CHWSQXEVSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)C[C@H]1C ZINC001410893848 1270122282 /nfs/dbraw/zinc/12/22/82/1270122282.db2.gz WGRPNVSTMUXXNL-CHWSQXEVSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2sccc2Cl)C[C@@H]1C ZINC001410893890 1270124173 /nfs/dbraw/zinc/12/41/73/1270124173.db2.gz WGRPNVSTMUXXNL-STQMWFEESA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2sccc2Cl)C[C@@H]1C ZINC001410893890 1270124179 /nfs/dbraw/zinc/12/41/79/1270124179.db2.gz WGRPNVSTMUXXNL-STQMWFEESA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001410957743 1270433515 /nfs/dbraw/zinc/43/35/15/1270433515.db2.gz OJWAWUUWAPBUCK-RBUKOAKNSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086216814 1270517695 /nfs/dbraw/zinc/51/76/95/1270517695.db2.gz AJHBMMQWZQSUEV-KSZLIROESA-N 1 3 349.544 2.995 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932162 1270617067 /nfs/dbraw/zinc/61/70/67/1270617067.db2.gz IPHRIQCXIAQBMV-RBUKOAKNSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932162 1270617072 /nfs/dbraw/zinc/61/70/72/1270617072.db2.gz IPHRIQCXIAQBMV-RBUKOAKNSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)C1 ZINC001086605624 1278572705 /nfs/dbraw/zinc/57/27/05/1278572705.db2.gz NOIKJLZBWMSSDD-HSALFYBXSA-N 1 3 343.515 2.713 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)C1 ZINC001086605624 1278572711 /nfs/dbraw/zinc/57/27/11/1278572711.db2.gz NOIKJLZBWMSSDD-HSALFYBXSA-N 1 3 343.515 2.713 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC3)C2)c1 ZINC001086278209 1270803891 /nfs/dbraw/zinc/80/38/91/1270803891.db2.gz LZGFBRISVOTLLX-IZAXUBKRSA-N 1 3 329.488 2.646 20 0 EFADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001034005121 1270859456 /nfs/dbraw/zinc/85/94/56/1270859456.db2.gz RRURLKMWEHQAJY-IBGZPJMESA-N 1 3 335.536 2.996 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041983 1270946207 /nfs/dbraw/zinc/94/62/07/1270946207.db2.gz JZTHPZKMKYWCEQ-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041983 1270946211 /nfs/dbraw/zinc/94/62/11/1270946211.db2.gz JZTHPZKMKYWCEQ-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041988 1270948036 /nfs/dbraw/zinc/94/80/36/1270948036.db2.gz JZTHPZKMKYWCEQ-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041988 1270948039 /nfs/dbraw/zinc/94/80/39/1270948039.db2.gz JZTHPZKMKYWCEQ-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086364501 1271167191 /nfs/dbraw/zinc/16/71/91/1271167191.db2.gz HRGRXXPYJCDBMM-FHWLQOOXSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086364530 1271168453 /nfs/dbraw/zinc/16/84/53/1271168453.db2.gz INSODFWZZIRIEQ-FHWLQOOXSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001034215319 1271376151 /nfs/dbraw/zinc/37/61/51/1271376151.db2.gz XUGSNAZYUVQXIJ-KBAYOESNSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001034215319 1271376155 /nfs/dbraw/zinc/37/61/55/1271376155.db2.gz XUGSNAZYUVQXIJ-KBAYOESNSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034288045 1271565994 /nfs/dbraw/zinc/56/59/94/1271565994.db2.gz LUJDGKRLYIVPLL-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034288045 1271566000 /nfs/dbraw/zinc/56/60/00/1271566000.db2.gz LUJDGKRLYIVPLL-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CCN1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329225 1271669310 /nfs/dbraw/zinc/66/93/10/1271669310.db2.gz GGIBPKUWHDBAKE-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329225 1271669313 /nfs/dbraw/zinc/66/93/13/1271669313.db2.gz GGIBPKUWHDBAKE-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329225 1271669320 /nfs/dbraw/zinc/66/93/20/1271669320.db2.gz GGIBPKUWHDBAKE-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[NH+]1CCCCC1 ZINC000746148758 1271831766 /nfs/dbraw/zinc/83/17/66/1271831766.db2.gz ZSSGUXDRGIWVIB-INIZCTEOSA-N 1 3 338.455 2.851 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)C1 ZINC001034395683 1271886078 /nfs/dbraw/zinc/88/60/78/1271886078.db2.gz BODCXHJIFVOXRD-QAPCUYQASA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034395683 1271886097 /nfs/dbraw/zinc/88/60/97/1271886097.db2.gz BODCXHJIFVOXRD-QAPCUYQASA-N 1 3 345.478 2.529 20 0 EFADHO CCc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034524267 1272191549 /nfs/dbraw/zinc/19/15/49/1272191549.db2.gz FNWMFZIOLYGNSI-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034524267 1272191553 /nfs/dbraw/zinc/19/15/53/1272191553.db2.gz FNWMFZIOLYGNSI-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525855 1272193615 /nfs/dbraw/zinc/19/36/15/1272193615.db2.gz QOAYKLGDWHGIPV-MJGOQNOKSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525855 1272193625 /nfs/dbraw/zinc/19/36/25/1272193625.db2.gz QOAYKLGDWHGIPV-MJGOQNOKSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034544350 1272259838 /nfs/dbraw/zinc/25/98/38/1272259838.db2.gz QGDGHYCJAJLDEE-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034544350 1272259849 /nfs/dbraw/zinc/25/98/49/1272259849.db2.gz QGDGHYCJAJLDEE-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168809940 1272415632 /nfs/dbraw/zinc/41/56/32/1272415632.db2.gz YQOHKBDPZCRJRX-GOEBONIOSA-N 1 3 325.497 2.847 20 0 EFADHO CC(C)C[NH2+]C1(CNC(=O)[C@H](C2CC2)N2CCCC2)CCCCC1 ZINC001115648196 1272416120 /nfs/dbraw/zinc/41/61/20/1272416120.db2.gz FDYVSUPFYMCCND-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831253 1272431828 /nfs/dbraw/zinc/43/18/28/1272431828.db2.gz URYYKLLJJGZJEM-WCVJEAGWSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831253 1272431836 /nfs/dbraw/zinc/43/18/36/1272431836.db2.gz URYYKLLJJGZJEM-WCVJEAGWSA-N 1 3 325.497 2.847 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001168756242 1272552093 /nfs/dbraw/zinc/55/20/93/1272552093.db2.gz XGOPHLLSUKCUGT-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Br)C2 ZINC001169093199 1272644228 /nfs/dbraw/zinc/64/42/28/1272644228.db2.gz FZNOZTPWPDICAC-OQMKEHIESA-N 1 3 339.277 2.697 20 0 EFADHO CCCN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169101848 1272653538 /nfs/dbraw/zinc/65/35/38/1272653538.db2.gz VTMAUZPAULTMEJ-PHZGNYQRSA-N 1 3 325.497 2.848 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169092308 1272671794 /nfs/dbraw/zinc/67/17/94/1272671794.db2.gz BDBKWQFFTPDUQO-ACDBMABISA-N 1 3 343.515 2.874 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001169119057 1272674852 /nfs/dbraw/zinc/67/48/52/1272674852.db2.gz PMRQYSRUMZILCN-BJWYYQGGSA-N 1 3 329.444 2.748 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]13)C2 ZINC001169122867 1272677876 /nfs/dbraw/zinc/67/78/76/1272677876.db2.gz FPUDWTJAISJXNA-LVZMMCSGSA-N 1 3 347.503 2.623 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]13)C2 ZINC001169122867 1272677891 /nfs/dbraw/zinc/67/78/91/1272677891.db2.gz FPUDWTJAISJXNA-LVZMMCSGSA-N 1 3 347.503 2.623 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126298 1272679823 /nfs/dbraw/zinc/67/98/23/1272679823.db2.gz RHCMAWZFCMGFSL-NCOADZHNSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126298 1272679830 /nfs/dbraw/zinc/67/98/30/1272679830.db2.gz RHCMAWZFCMGFSL-NCOADZHNSA-N 1 3 337.508 2.943 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130880 1272686963 /nfs/dbraw/zinc/68/69/63/1272686963.db2.gz PHFPIQMTRSPXGH-ZSHCYNCHSA-N 1 3 335.492 2.554 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130880 1272686968 /nfs/dbraw/zinc/68/69/68/1272686968.db2.gz PHFPIQMTRSPXGH-ZSHCYNCHSA-N 1 3 335.492 2.554 20 0 EFADHO COc1ccccc1C1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3C)CCOCC1 ZINC001169109365 1272703084 /nfs/dbraw/zinc/70/30/84/1272703084.db2.gz BFRFCHFCLANIOO-BJWYYQGGSA-N 1 3 330.472 2.916 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169147275 1272708030 /nfs/dbraw/zinc/70/80/30/1272708030.db2.gz TYRFBZWITVBSBY-ACDBMABISA-N 1 3 331.479 2.959 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169147275 1272708037 /nfs/dbraw/zinc/70/80/37/1272708037.db2.gz TYRFBZWITVBSBY-ACDBMABISA-N 1 3 331.479 2.959 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169152848 1272711753 /nfs/dbraw/zinc/71/17/53/1272711753.db2.gz FRZJOYTZOHKCJU-WCXIOVBPSA-N 1 3 330.472 2.901 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169152848 1272711765 /nfs/dbraw/zinc/71/17/65/1272711765.db2.gz FRZJOYTZOHKCJU-WCXIOVBPSA-N 1 3 330.472 2.901 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169153609 1272716442 /nfs/dbraw/zinc/71/64/42/1272716442.db2.gz LLQDXXDLHJZWCM-NRKLIOEPSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169153609 1272716446 /nfs/dbraw/zinc/71/64/46/1272716446.db2.gz LLQDXXDLHJZWCM-NRKLIOEPSA-N 1 3 337.508 2.847 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001034785632 1272961192 /nfs/dbraw/zinc/96/11/92/1272961192.db2.gz DGKDFJFDGQQONF-UYTYNIKBSA-N 1 3 344.503 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1 ZINC001034785134 1272966054 /nfs/dbraw/zinc/96/60/54/1272966054.db2.gz BILXNQWWSPTZAF-IYARVYRRSA-N 1 3 340.471 2.520 20 0 EFADHO C[C@@H]1CN(Cc2cc(O)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013107 1273018971 /nfs/dbraw/zinc/01/89/71/1273018971.db2.gz PLXVVNSIBORGNB-YPMHNXCESA-N 1 3 327.266 2.962 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(Cl)c1 ZINC001034885449 1273149570 /nfs/dbraw/zinc/14/95/70/1273149570.db2.gz TUNAASQYOCHWJP-SJLPKXTDSA-N 1 3 349.906 2.823 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791085 1273169264 /nfs/dbraw/zinc/16/92/64/1273169264.db2.gz RDCXRXIKJATAGO-VAMGGRTRSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791085 1273169268 /nfs/dbraw/zinc/16/92/68/1273169268.db2.gz RDCXRXIKJATAGO-VAMGGRTRSA-N 1 3 341.499 2.565 20 0 EFADHO COc1cccc(C2([NH3+])CCN([C@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169929157 1273249625 /nfs/dbraw/zinc/24/96/25/1273249625.db2.gz ZYPZFHHGMDZSBM-KRWDZBQOSA-N 1 3 346.471 2.631 20 0 EFADHO c1cncc(CN2CCC(C[NH2+][C@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169925104 1273265632 /nfs/dbraw/zinc/26/56/32/1273265632.db2.gz OXPAAAQBPXLEAJ-IBGZPJMESA-N 1 3 345.487 2.569 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001034956643 1273269078 /nfs/dbraw/zinc/26/90/78/1273269078.db2.gz DCCHHMPVTPQRCJ-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001034957443 1273270476 /nfs/dbraw/zinc/27/04/76/1273270476.db2.gz UZCVMLIGAAFMCH-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001034957425 1273270997 /nfs/dbraw/zinc/27/09/97/1273270997.db2.gz UAPDMQXRZMZJGZ-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001034957769 1273271058 /nfs/dbraw/zinc/27/10/58/1273271058.db2.gz ILPOFQRNTRFCLY-QFBILLFUSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1C ZINC001034958004 1273272861 /nfs/dbraw/zinc/27/28/61/1273272861.db2.gz TUOPRJAQWAKRAW-HXUWFJFHSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001034958625 1273274798 /nfs/dbraw/zinc/27/47/98/1273274798.db2.gz KYGXAHTUTKKORT-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001034958826 1273275490 /nfs/dbraw/zinc/27/54/90/1273275490.db2.gz MIELJOYQPFSFRQ-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001034975641 1273300763 /nfs/dbraw/zinc/30/07/63/1273300763.db2.gz WGSYTXIERVKKQH-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704120 1273377989 /nfs/dbraw/zinc/37/79/89/1273377989.db2.gz BQEKKRMTAZSAQB-LNLFQRSKSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001035039891 1273425995 /nfs/dbraw/zinc/42/59/95/1273425995.db2.gz PFLCGCWIZXGNGQ-IEBWSBKVSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001035039422 1273426264 /nfs/dbraw/zinc/42/62/64/1273426264.db2.gz BBIHBCVTOGFGKB-YZGWKJHDSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001035039962 1273426435 /nfs/dbraw/zinc/42/64/35/1273426435.db2.gz PQQFBVYPCBIGJF-BHIYHBOVSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001035039863 1273426546 /nfs/dbraw/zinc/42/65/46/1273426546.db2.gz NXZCAQFPRQCJAI-IEBWSBKVSA-N 1 3 349.494 2.801 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C(CC)(CC)C[NH3+])cc2)CC1 ZINC000844190250 1278785487 /nfs/dbraw/zinc/78/54/87/1278785487.db2.gz BPFORSOBGWXYBV-UHFFFAOYSA-N 1 3 332.492 2.532 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001035062340 1273448511 /nfs/dbraw/zinc/44/85/11/1273448511.db2.gz GTATXEWJTIEIMW-SJLPKXTDSA-N 1 3 340.471 2.911 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001035062375 1273449042 /nfs/dbraw/zinc/44/90/42/1273449042.db2.gz IFAQFMHLBKRBQG-GOSISDBHSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001035047444 1273463435 /nfs/dbraw/zinc/46/34/35/1273463435.db2.gz COYCCKCWFKXHHS-YLJYHZDGSA-N 1 3 343.515 2.726 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001035047642 1273463943 /nfs/dbraw/zinc/46/39/43/1273463943.db2.gz HHYPWHDSSFDFDF-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001035047773 1273464239 /nfs/dbraw/zinc/46/42/39/1273464239.db2.gz GYHDOXURHYUSPK-VQIMIIECSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001035049008 1273465304 /nfs/dbraw/zinc/46/53/04/1273465304.db2.gz LOYUAIAZQAIIJL-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001035048471 1273465527 /nfs/dbraw/zinc/46/55/27/1273465527.db2.gz TTYHKKNZOZYACN-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108764753 1273468342 /nfs/dbraw/zinc/46/83/42/1273468342.db2.gz VZIXPDUGOHNJDH-KSZLIROESA-N 1 3 333.520 2.654 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001035050188 1273468762 /nfs/dbraw/zinc/46/87/62/1273468762.db2.gz WTLCMXMDXZTTNR-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001035052271 1273470161 /nfs/dbraw/zinc/47/01/61/1273470161.db2.gz VQTDTDZLNITDDB-RBUKOAKNSA-N 1 3 343.515 2.868 20 0 EFADHO CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785369 1273471691 /nfs/dbraw/zinc/47/16/91/1273471691.db2.gz BWWFVAUMCHXANK-OTWHNJEPSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001035085726 1273491003 /nfs/dbraw/zinc/49/10/03/1273491003.db2.gz KUFCVZQMUQAQQK-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831948 1273523041 /nfs/dbraw/zinc/52/30/41/1273523041.db2.gz LJWDYXBKEPAJNA-IHPCNDPISA-N 1 3 343.515 2.804 20 0 EFADHO CN(Cc1csc(-c2ccc(C(N)=O)cc2)n1)C1CCC([NH3+])CC1 ZINC000844220654 1278796230 /nfs/dbraw/zinc/79/62/30/1278796230.db2.gz IWDUBMNNYZGQMT-UHFFFAOYSA-N 1 3 344.484 2.611 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC001035126209 1273590089 /nfs/dbraw/zinc/59/00/89/1273590089.db2.gz VHWFXGPZDWNCIO-LJQANCHMSA-N 1 3 343.515 2.788 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001035127691 1273591694 /nfs/dbraw/zinc/59/16/94/1273591694.db2.gz WIUKHPKAEOABMU-JKSUJKDBSA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035132949 1273602060 /nfs/dbraw/zinc/60/20/60/1273602060.db2.gz FKFIOBCSAQESJO-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035199030 1273767026 /nfs/dbraw/zinc/76/70/26/1273767026.db2.gz ZSBCWAJUYNLRKC-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035199030 1273767033 /nfs/dbraw/zinc/76/70/33/1273767033.db2.gz ZSBCWAJUYNLRKC-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@H](C2CC2)N(C)C)CC3)C1 ZINC001035193387 1273811821 /nfs/dbraw/zinc/81/18/21/1273811821.db2.gz AKDHNVZCIAZQTA-TVPLGVNVSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)[C@H](C2CC2)N(C)C)CC3)C1 ZINC001035193387 1273811828 /nfs/dbraw/zinc/81/18/28/1273811828.db2.gz AKDHNVZCIAZQTA-TVPLGVNVSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194008 1273814209 /nfs/dbraw/zinc/81/42/09/1273814209.db2.gz SLHMYVGUHBCOMG-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194008 1273814222 /nfs/dbraw/zinc/81/42/22/1273814222.db2.gz SLHMYVGUHBCOMG-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](C/C=C\Cl)C2)CC1)C1CCC1 ZINC001035193881 1273816198 /nfs/dbraw/zinc/81/61/98/1273816198.db2.gz BWUAUJSKKNSRHW-OQFOIZHKSA-N 1 3 339.911 2.538 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1)C1CCC1 ZINC001035193881 1273816204 /nfs/dbraw/zinc/81/62/04/1273816204.db2.gz BWUAUJSKKNSRHW-OQFOIZHKSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193671 1273816347 /nfs/dbraw/zinc/81/63/47/1273816347.db2.gz LUWHPFWDCXHPRV-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193671 1273816350 /nfs/dbraw/zinc/81/63/50/1273816350.db2.gz LUWHPFWDCXHPRV-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224421 1273839545 /nfs/dbraw/zinc/83/95/45/1273839545.db2.gz KSARGPNWSKOEQS-GOSISDBHSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224421 1273839550 /nfs/dbraw/zinc/83/95/50/1273839550.db2.gz KSARGPNWSKOEQS-GOSISDBHSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035225969 1273845116 /nfs/dbraw/zinc/84/51/16/1273845116.db2.gz CUMFIMJKMLBAJM-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035225969 1273845118 /nfs/dbraw/zinc/84/51/18/1273845118.db2.gz CUMFIMJKMLBAJM-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227676 1273850882 /nfs/dbraw/zinc/85/08/82/1273850882.db2.gz VIOGTGCFZSSGFH-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227676 1273850894 /nfs/dbraw/zinc/85/08/94/1273850894.db2.gz VIOGTGCFZSSGFH-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CC[N@H+](CCC4CC4)C3)CC2)CC1 ZINC001035239670 1273907569 /nfs/dbraw/zinc/90/75/69/1273907569.db2.gz VWXSMNIRZUQBAF-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CC[N@@H+](CCC4CC4)C3)CC2)CC1 ZINC001035239670 1273907576 /nfs/dbraw/zinc/90/75/76/1273907576.db2.gz VWXSMNIRZUQBAF-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001035232160 1273941328 /nfs/dbraw/zinc/94/13/28/1273941328.db2.gz ZFPLCPLKLIFOEF-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001035232160 1273941341 /nfs/dbraw/zinc/94/13/41/1273941341.db2.gz ZFPLCPLKLIFOEF-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035260185 1273955385 /nfs/dbraw/zinc/95/53/85/1273955385.db2.gz RQCBAASGWPQXNE-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035260185 1273955392 /nfs/dbraw/zinc/95/53/92/1273955392.db2.gz RQCBAASGWPQXNE-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254864 1273985094 /nfs/dbraw/zinc/98/50/94/1273985094.db2.gz VETCJFKNQBWRNB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254864 1273985101 /nfs/dbraw/zinc/98/51/01/1273985101.db2.gz VETCJFKNQBWRNB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001109426887 1274263152 /nfs/dbraw/zinc/26/31/52/1274263152.db2.gz DBLIDNFOUKHPHP-XWSJACJDSA-N 1 3 347.547 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001109426887 1274263156 /nfs/dbraw/zinc/26/31/56/1274263156.db2.gz DBLIDNFOUKHPHP-XWSJACJDSA-N 1 3 347.547 2.874 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109466069 1274310794 /nfs/dbraw/zinc/31/07/94/1274310794.db2.gz IIVWAOGUZHCTLF-SQNIBIBYSA-N 1 3 333.520 2.939 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1 ZINC001109466069 1274310801 /nfs/dbraw/zinc/31/08/01/1274310801.db2.gz IIVWAOGUZHCTLF-SQNIBIBYSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705967 1274383685 /nfs/dbraw/zinc/38/36/85/1274383685.db2.gz IHWAKCRTONYPCN-RTBURBONSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705967 1274383690 /nfs/dbraw/zinc/38/36/90/1274383690.db2.gz IHWAKCRTONYPCN-RTBURBONSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CC4CCCCC4)C3)CC2)CCC1 ZINC001035720359 1274406491 /nfs/dbraw/zinc/40/64/91/1274406491.db2.gz MQQDAFMQXRYAHA-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035721429 1274407859 /nfs/dbraw/zinc/40/78/59/1274407859.db2.gz VMQPSQCKTIZQJA-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035723506 1274411134 /nfs/dbraw/zinc/41/11/34/1274411134.db2.gz JEOHVMQUJARKKA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)N(C)C ZINC001035731527 1274420290 /nfs/dbraw/zinc/42/02/90/1274420290.db2.gz HVWRCCGRJVFRPQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@@H+]31)CC2 ZINC001035733599 1274423905 /nfs/dbraw/zinc/42/39/05/1274423905.db2.gz VWSKBSZVVWHXJR-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035733599 1274423914 /nfs/dbraw/zinc/42/39/14/1274423914.db2.gz VWSKBSZVVWHXJR-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035799547 1274491088 /nfs/dbraw/zinc/49/10/88/1274491088.db2.gz YUIIFGYAGKHXKW-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](Cc3ccc(C)cc3)C2)CC1)N(C)C ZINC001035796319 1274494206 /nfs/dbraw/zinc/49/42/06/1274494206.db2.gz FETUJBLLSITUIT-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035796445 1274495022 /nfs/dbraw/zinc/49/50/22/1274495022.db2.gz DJDJRJXBKFZOGB-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)N(C)C ZINC001035797840 1274496148 /nfs/dbraw/zinc/49/61/48/1274496148.db2.gz HVMLYKBKVXWLRQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1 ZINC001035797222 1274496258 /nfs/dbraw/zinc/49/62/58/1274496258.db2.gz FTEIWRLZYHTPHA-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035799238 1274496962 /nfs/dbraw/zinc/49/69/62/1274496962.db2.gz WTYPHQLYSGJQLO-GOSISDBHSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035799238 1274496967 /nfs/dbraw/zinc/49/69/67/1274496967.db2.gz WTYPHQLYSGJQLO-GOSISDBHSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035821169 1274516278 /nfs/dbraw/zinc/51/62/78/1274516278.db2.gz TUCXXOWIAYMTSI-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO CCc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653133 1274521893 /nfs/dbraw/zinc/52/18/93/1274521893.db2.gz OTIDUMRMRDLOOJ-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035851746 1274559111 /nfs/dbraw/zinc/55/91/11/1274559111.db2.gz VVXFEVTUPJIENH-UHFFFAOYSA-N 1 3 331.504 2.507 20 0 EFADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035857972 1274608068 /nfs/dbraw/zinc/60/80/68/1274608068.db2.gz OKGOGBJRUMMBMT-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858620 1274612368 /nfs/dbraw/zinc/61/23/68/1274612368.db2.gz WTTWJSJYHAKIBA-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036031719 1274905856 /nfs/dbraw/zinc/90/58/56/1274905856.db2.gz XNILIYPIPGBYKA-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036052839 1274976942 /nfs/dbraw/zinc/97/69/42/1274976942.db2.gz CDDAVRPFDMACBN-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001036056523 1274982308 /nfs/dbraw/zinc/98/23/08/1274982308.db2.gz VOKLHDGMGUNMJL-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036056636 1274982940 /nfs/dbraw/zinc/98/29/40/1274982940.db2.gz WEHUPJYFIODAQW-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001036056905 1274984512 /nfs/dbraw/zinc/98/45/12/1274984512.db2.gz WROYQAUBHPTJCP-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036060760 1274988173 /nfs/dbraw/zinc/98/81/73/1274988173.db2.gz BZIRFDXABNHNTP-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cs1 ZINC001036060766 1274988495 /nfs/dbraw/zinc/98/84/95/1274988495.db2.gz CFNLWTLLCDNKRV-RHSMWYFYSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036063988 1274993778 /nfs/dbraw/zinc/99/37/78/1274993778.db2.gz SJEISZIQBCZXGK-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC001036066114 1275020535 /nfs/dbraw/zinc/02/05/35/1275020535.db2.gz QRLJZDBGWCBWKA-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cs1 ZINC001036067135 1275021487 /nfs/dbraw/zinc/02/14/87/1275021487.db2.gz SYWASDZKRDNGHL-KSSFIOAISA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cs1 ZINC001036067133 1275021913 /nfs/dbraw/zinc/02/19/13/1275021913.db2.gz SYWASDZKRDNGHL-KBXCAEBGSA-N 1 3 349.544 2.867 20 0 EFADHO O[C@H](CN1CCC2(CCc3ccccc3C2)CC1)C[NH+]1CCCC1 ZINC000844350749 1278920635 /nfs/dbraw/zinc/92/06/35/1278920635.db2.gz GYYFIJPMXVQUMU-FQEVSTJZSA-N 1 3 328.500 2.714 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001112548461 1275129598 /nfs/dbraw/zinc/12/95/98/1275129598.db2.gz AHTLYUAZRFQDLI-HKUYNNGSSA-N 1 3 349.544 2.808 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036182363 1275180589 /nfs/dbraw/zinc/18/05/89/1275180589.db2.gz MUFKPCDATUWVMZ-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001036205680 1275223964 /nfs/dbraw/zinc/22/39/64/1275223964.db2.gz NCMQSCJHPZGIOU-DYVFJYSZSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001036208135 1275228556 /nfs/dbraw/zinc/22/85/56/1275228556.db2.gz VTHMDTGQOTVTDG-SUMWQHHRSA-N 1 3 346.862 2.632 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@@H](C)C2)CC1 ZINC001036226523 1275255224 /nfs/dbraw/zinc/25/52/24/1275255224.db2.gz TXJSWARTFBVMQU-PKOBYXMFSA-N 1 3 349.563 2.981 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@H](C)C2)CC1 ZINC001036226519 1275255309 /nfs/dbraw/zinc/25/53/09/1275255309.db2.gz TXJSWARTFBVMQU-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001036226855 1275255935 /nfs/dbraw/zinc/25/59/35/1275255935.db2.gz VLAXOZWIRAKQHX-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036223071 1275292356 /nfs/dbraw/zinc/29/23/56/1275292356.db2.gz DOTVQFCRQITYJZ-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036305535 1275424357 /nfs/dbraw/zinc/42/43/57/1275424357.db2.gz UMHQRKGUXKQODZ-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001036305538 1275424874 /nfs/dbraw/zinc/42/48/74/1275424874.db2.gz UMHQRKGUXKQODZ-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036307224 1275428573 /nfs/dbraw/zinc/42/85/73/1275428573.db2.gz ZKTLYCMONOWCNV-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786782553 1275527040 /nfs/dbraw/zinc/52/70/40/1275527040.db2.gz GYKCLAASYNZECA-KRWDZBQOSA-N 1 3 344.503 2.989 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786837682 1275539455 /nfs/dbraw/zinc/53/94/55/1275539455.db2.gz SJEORMSDLOORHQ-ZVZYQTTQSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)CN1CCCCC1 ZINC000786796604 1275542611 /nfs/dbraw/zinc/54/26/11/1275542611.db2.gz OMFWBAPSUXKGMN-IRXDYDNUSA-N 1 3 344.503 2.989 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036414418 1275561302 /nfs/dbraw/zinc/56/13/02/1275561302.db2.gz OCLPHCJDBWIZNI-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO COc1ccc(C[C@H]2CCCCN2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000844414797 1278963936 /nfs/dbraw/zinc/96/39/36/1278963936.db2.gz YHDVRXVXEQQBTD-MOPGFXCFSA-N 1 3 332.488 2.549 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001036448406 1275607173 /nfs/dbraw/zinc/60/71/73/1275607173.db2.gz AYLVFHPDNIHPKO-WMZOPIPTSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036455093 1275682412 /nfs/dbraw/zinc/68/24/12/1275682412.db2.gz GAQLQTCVFTXZGA-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036477160 1275725981 /nfs/dbraw/zinc/72/59/81/1275725981.db2.gz XTLPWWSDQYKGGZ-DLBZAZTESA-N 1 3 331.504 2.987 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450548 1275731976 /nfs/dbraw/zinc/73/19/76/1275731976.db2.gz NRJRWXHTRPULSS-FUHWJXTLSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450601 1275732113 /nfs/dbraw/zinc/73/21/13/1275732113.db2.gz OKFSCYXORXFFLO-HOCLYGCPSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450549 1275732275 /nfs/dbraw/zinc/73/22/75/1275732275.db2.gz NRJRWXHTRPULSS-SJLPKXTDSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001036450928 1275733261 /nfs/dbraw/zinc/73/32/61/1275733261.db2.gz QFRFYQWWCYEWFC-FUHWJXTLSA-N 1 3 340.471 2.678 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC3)C2)c1 ZINC001086557929 1275849663 /nfs/dbraw/zinc/84/96/63/1275849663.db2.gz LZGFBRISVOTLLX-UAPYVXQJSA-N 1 3 329.488 2.646 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086558873 1275965934 /nfs/dbraw/zinc/96/59/34/1275965934.db2.gz YFCWQKQNHIPIOL-BRWVUGGUSA-N 1 3 335.517 2.607 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001086558846 1275966565 /nfs/dbraw/zinc/96/65/65/1275966565.db2.gz WXLZREBQXIKRKZ-IEZWGBDMSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135975757 1276273848 /nfs/dbraw/zinc/27/38/48/1276273848.db2.gz BWXXBGXBLZVYGR-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135976163 1276274841 /nfs/dbraw/zinc/27/48/41/1276274841.db2.gz HFZAWUXWGWWNFZ-IAGOWNOFSA-N 1 3 349.519 2.548 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135977734 1276276274 /nfs/dbraw/zinc/27/62/74/1276276274.db2.gz YIFVVEPAEMKOJY-IAGOWNOFSA-N 1 3 349.519 2.548 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001136030930 1276338818 /nfs/dbraw/zinc/33/88/18/1276338818.db2.gz DPOODSZFGNAWBP-HZPDHXFCSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001136031200 1276339565 /nfs/dbraw/zinc/33/95/65/1276339565.db2.gz HFVFHRQSADDWQY-UONOGXRCSA-N 1 3 346.450 2.781 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cc1 ZINC001136031569 1276339874 /nfs/dbraw/zinc/33/98/74/1276339874.db2.gz MVLNCZJNMFZMHP-LSDHHAIUSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001136031543 1276340438 /nfs/dbraw/zinc/34/04/38/1276340438.db2.gz MSOXYKDHJRYHHC-HOTGVXAUSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001136031331 1276340602 /nfs/dbraw/zinc/34/06/02/1276340602.db2.gz IXLCPIJXWWWEME-HOTGVXAUSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001136031883 1276340898 /nfs/dbraw/zinc/34/08/98/1276340898.db2.gz RWPXUOUYDPCHKM-KGLIPLIRSA-N 1 3 346.450 2.803 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001136031977 1276341528 /nfs/dbraw/zinc/34/15/28/1276341528.db2.gz UKANQCNKZLXVQS-LSDHHAIUSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001136031882 1276341694 /nfs/dbraw/zinc/34/16/94/1276341694.db2.gz RWPXUOUYDPCHKM-KBPBESRZSA-N 1 3 346.450 2.803 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001136032047 1276341710 /nfs/dbraw/zinc/34/17/10/1276341710.db2.gz VFFOUGXMGVSDNT-OLZOCXBDSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001136032055 1276341841 /nfs/dbraw/zinc/34/18/41/1276341841.db2.gz VHEPMQFZNXRGEI-GJZGRUSLSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccc12 ZINC000817880077 1276359056 /nfs/dbraw/zinc/35/90/56/1276359056.db2.gz LMUAECZGDYQEKC-BMFZPTHFSA-N 1 3 344.455 2.785 20 0 EFADHO N[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929727 1276362007 /nfs/dbraw/zinc/36/20/07/1276362007.db2.gz SAKOQUQGPULONX-SOUVJXGZSA-N 1 3 327.266 2.732 20 0 EFADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817895181 1276364376 /nfs/dbraw/zinc/36/43/76/1276364376.db2.gz SBWNLOKQELGQAH-MTQWCTHYSA-N 1 3 348.487 2.638 20 0 EFADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817895180 1276364655 /nfs/dbraw/zinc/36/46/55/1276364655.db2.gz SBWNLOKQELGQAH-IYWMVGAKSA-N 1 3 348.487 2.638 20 0 EFADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000817896632 1276364668 /nfs/dbraw/zinc/36/46/68/1276364668.db2.gz MOMBJPZUSZKUFK-JFIYKMOQSA-N 1 3 330.453 2.627 20 0 EFADHO O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817900331 1276366510 /nfs/dbraw/zinc/36/65/10/1276366510.db2.gz ODXHVWAUXNYYBM-QWFCFKBJSA-N 1 3 342.414 2.705 20 0 EFADHO O[C@@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817926590 1276378915 /nfs/dbraw/zinc/37/89/15/1276378915.db2.gz ODXHVWAUXNYYBM-WSTZPKSXSA-N 1 3 342.414 2.705 20 0 EFADHO CCCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000109430207 1276381358 /nfs/dbraw/zinc/38/13/58/1276381358.db2.gz MXGTYZBLJGMXKJ-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CCCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000109430207 1276381366 /nfs/dbraw/zinc/38/13/66/1276381366.db2.gz MXGTYZBLJGMXKJ-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1cccc(N2CCOC2=O)c1 ZINC000817950494 1276396187 /nfs/dbraw/zinc/39/61/87/1276396187.db2.gz YRIUWKIHGCSZCY-OAHLLOKOSA-N 1 3 339.439 2.995 20 0 EFADHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817961262 1276401604 /nfs/dbraw/zinc/40/16/04/1276401604.db2.gz VTTGSKDQCPXSHB-WHOFXGATSA-N 1 3 346.443 2.851 20 0 EFADHO COc1ccc([C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cn1cccn1 ZINC000817970069 1276413240 /nfs/dbraw/zinc/41/32/40/1276413240.db2.gz KOFWEQYVFGBFMF-QGTPRVQTSA-N 1 3 328.460 2.861 20 0 EFADHO N[C@@H](CCC[NH3+])Nc1cc(Br)cc(C2CCOCC2)c1 ZINC001170905728 1276525603 /nfs/dbraw/zinc/52/56/03/1276525603.db2.gz VHLGIXWYFPWRJX-OAHLLOKOSA-N 1 3 342.281 2.779 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000818610215 1276546042 /nfs/dbraw/zinc/54/60/42/1276546042.db2.gz BTDSGWBLVZKSTI-QGZVFWFLSA-N 1 3 337.467 2.882 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccccc1F ZINC000818984355 1276563407 /nfs/dbraw/zinc/56/34/07/1276563407.db2.gz FMMWOFGMWKKFMU-SFHVURJKSA-N 1 3 332.419 2.589 20 0 EFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000819059511 1276586228 /nfs/dbraw/zinc/58/62/28/1276586228.db2.gz CWALGOGEEIKWCQ-YJBOKZPZSA-N 1 3 338.879 2.606 20 0 EFADHO COc1ccc(OC)c([C@@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000819080376 1276599106 /nfs/dbraw/zinc/59/91/06/1276599106.db2.gz FMUSJOXLGHNUAV-FUHWJXTLSA-N 1 3 338.492 2.693 20 0 EFADHO COc1ccc(OC)c([C@H](O)CN[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000819080377 1276599167 /nfs/dbraw/zinc/59/91/67/1276599167.db2.gz FMUSJOXLGHNUAV-SJLPKXTDSA-N 1 3 338.492 2.693 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819132585 1276622060 /nfs/dbraw/zinc/62/20/60/1276622060.db2.gz FSJLUZMPQKKYMO-IOASZLSFSA-N 1 3 341.293 2.945 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819078303 1276622825 /nfs/dbraw/zinc/62/28/25/1276622825.db2.gz ILJVHUYENUAAPT-MRXNPFEDSA-N 1 3 332.492 2.545 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000819135286 1276624645 /nfs/dbraw/zinc/62/46/45/1276624645.db2.gz VTQJNNWXECAIFU-SJLPKXTDSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000819135286 1276624653 /nfs/dbraw/zinc/62/46/53/1276624653.db2.gz VTQJNNWXECAIFU-SJLPKXTDSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)CCN1c2ccccc2C2(CC[NH+](CCC3CC3)CC2)C1=O ZINC001273164644 1277199491 /nfs/dbraw/zinc/19/94/91/1277199491.db2.gz XYHRNHXCJYUILO-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1nc(CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C)cs1 ZINC001174962284 1287269873 /nfs/dbraw/zinc/26/98/73/1287269873.db2.gz SJAMNPUJDXKCJN-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001005990388 1277315844 /nfs/dbraw/zinc/31/58/44/1277315844.db2.gz GDBAHADVCLBHLH-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000820813833 1277319742 /nfs/dbraw/zinc/31/97/42/1277319742.db2.gz CIEFQSDSZRRWNW-IUODEOHRSA-N 1 3 343.393 2.562 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005991555 1277321057 /nfs/dbraw/zinc/32/10/57/1277321057.db2.gz OXUMQTAPRLAMHE-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)CN2CC[C@H](C)C2)CC1 ZINC001005993192 1277328331 /nfs/dbraw/zinc/32/83/31/1277328331.db2.gz ZZRFKDLTUSEXQK-KRWDZBQOSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820868515 1277338348 /nfs/dbraw/zinc/33/83/48/1277338348.db2.gz NBTTWFDYCQOTMN-INIZCTEOSA-N 1 3 339.524 2.955 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820868515 1277338358 /nfs/dbraw/zinc/33/83/58/1277338358.db2.gz NBTTWFDYCQOTMN-INIZCTEOSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001005990909 1277340106 /nfs/dbraw/zinc/34/01/06/1277340106.db2.gz JGYYFFCGBDDRLR-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000820833747 1277342671 /nfs/dbraw/zinc/34/26/71/1277342671.db2.gz AQOMJVRLDAHORW-MRXNPFEDSA-N 1 3 337.533 2.906 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000923266753 1277418433 /nfs/dbraw/zinc/41/84/33/1277418433.db2.gz RFJGSNLPCGANHY-ZCNNSNEGSA-N 1 3 341.499 2.561 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)NC/C(Cl)=C\Cl ZINC001134857980 1287298777 /nfs/dbraw/zinc/29/87/77/1287298777.db2.gz MDTYSDZGGRLWEF-BEFZUUHMSA-N 1 3 348.318 2.807 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592459 1277879883 /nfs/dbraw/zinc/87/98/83/1277879883.db2.gz OBJFJJIBVBJALM-SLFFLAALSA-N 1 3 343.515 2.853 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592459 1277879889 /nfs/dbraw/zinc/87/98/89/1277879889.db2.gz OBJFJJIBVBJALM-SLFFLAALSA-N 1 3 343.515 2.853 20 0 EFADHO C[C@@H](CCCCNCc1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001175049687 1287308050 /nfs/dbraw/zinc/30/80/50/1287308050.db2.gz XEAQNGNWQDVKJP-AWEZNQCLSA-N 1 3 341.446 2.681 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108561 1287313041 /nfs/dbraw/zinc/31/30/41/1287313041.db2.gz SSWRLSQENLTOBA-IEBWSBKVSA-N 1 3 348.535 2.741 20 0 EFADHO Clc1ccc2c(c1)CC[C@H](N1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171133271 1279079085 /nfs/dbraw/zinc/07/90/85/1279079085.db2.gz GJEONIVQEXHRFM-FQEVSTJZSA-N 1 3 347.934 2.911 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091057824 1279471460 /nfs/dbraw/zinc/47/14/60/1279471460.db2.gz CMWNMPPPRIIZCD-ACBHZAAOSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001091058981 1279483725 /nfs/dbraw/zinc/48/37/25/1279483725.db2.gz ZENWYLNQSAJXQM-MHJFOBGBSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091059308 1279485631 /nfs/dbraw/zinc/48/56/31/1279485631.db2.gz MCWGSXPCBINFAY-CTWPCTMYSA-N 1 3 329.488 2.545 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091059312 1279485722 /nfs/dbraw/zinc/48/57/22/1279485722.db2.gz MGWOERCJLMMXIV-CTWPCTMYSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091059721 1279485756 /nfs/dbraw/zinc/48/57/56/1279485756.db2.gz XMXPVEDGWUVKCJ-OFLPRAFFSA-N 1 3 335.517 2.607 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]21 ZINC001114487923 1287359246 /nfs/dbraw/zinc/35/92/46/1287359246.db2.gz CSZRUGISHCWQGA-YSHGAJCASA-N 1 3 343.515 2.833 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]21 ZINC001114487923 1287359251 /nfs/dbraw/zinc/35/92/51/1287359251.db2.gz CSZRUGISHCWQGA-YSHGAJCASA-N 1 3 343.515 2.833 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001114488638 1287374079 /nfs/dbraw/zinc/37/40/79/1287374079.db2.gz QKRBOXVJFRVDCB-PIIMJCKOSA-N 1 3 333.520 2.654 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001114488638 1287374081 /nfs/dbraw/zinc/37/40/81/1287374081.db2.gz QKRBOXVJFRVDCB-PIIMJCKOSA-N 1 3 333.520 2.654 20 0 EFADHO CCc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488789 1287376082 /nfs/dbraw/zinc/37/60/82/1287376082.db2.gz TUQWVHSLJUOVDF-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114488789 1287376086 /nfs/dbraw/zinc/37/60/86/1287376086.db2.gz TUQWVHSLJUOVDF-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175296472 1287378533 /nfs/dbraw/zinc/37/85/33/1287378533.db2.gz PPTKSAGJWIQDHK-HZPDHXFCSA-N 1 3 331.520 2.977 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CCC[C@H]1C ZINC001175255160 1287380548 /nfs/dbraw/zinc/38/05/48/1287380548.db2.gz DDBQTSNXPPNIGJ-IAGOWNOFSA-N 1 3 329.504 2.875 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001086618245 1279923837 /nfs/dbraw/zinc/92/38/37/1279923837.db2.gz ZLRWZBDEHCBSEF-VQTJNVASSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175264364 1287385696 /nfs/dbraw/zinc/38/56/96/1287385696.db2.gz UCXMMWVPSURHAO-IAGOWNOFSA-N 1 3 349.494 2.932 20 0 EFADHO CCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263387 1287383947 /nfs/dbraw/zinc/38/39/47/1287383947.db2.gz PMEDDWBMKPPKAF-YJBOKZPZSA-N 1 3 329.504 2.874 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)CCC1 ZINC000846131560 1280031837 /nfs/dbraw/zinc/03/18/37/1280031837.db2.gz LKHYMAOGVIBQCG-HNNXBMFYSA-N 1 3 337.895 2.586 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3(N(C)C)CCC3)C2)s1 ZINC000846101328 1280034511 /nfs/dbraw/zinc/03/45/11/1280034511.db2.gz IEDBZUSVEQUUSI-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3(N(C)C)CCC3)C2)s1 ZINC000846101328 1280034519 /nfs/dbraw/zinc/03/45/19/1280034519.db2.gz IEDBZUSVEQUUSI-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001175314720 1287398453 /nfs/dbraw/zinc/39/84/53/1287398453.db2.gz AMGQJUBQYGFXKD-BBRMVZONSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001175317275 1287399167 /nfs/dbraw/zinc/39/91/67/1287399167.db2.gz NNNZETJFQIHQHQ-HIFRSBDPSA-N 1 3 340.537 2.556 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)c(Cl)c1 ZINC001129454224 1280195129 /nfs/dbraw/zinc/19/51/29/1280195129.db2.gz HPMADNWKNDEOCI-ZBEGNZNMSA-N 1 3 341.858 2.586 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129443100 1280201817 /nfs/dbraw/zinc/20/18/17/1280201817.db2.gz ICERHUNKJYCYFD-SJORKVTESA-N 1 3 337.895 2.837 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC001129531896 1280233784 /nfs/dbraw/zinc/23/37/84/1280233784.db2.gz KTNPSEGEBQWAKF-UHFFFAOYSA-N 1 3 344.286 2.684 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091267548 1280234820 /nfs/dbraw/zinc/23/48/20/1280234820.db2.gz OIOBRHWCQHXDMV-CTWPCTMYSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)CN(C)C2CCC2)cc1 ZINC001129535077 1280250918 /nfs/dbraw/zinc/25/09/18/1280250918.db2.gz IPHTXVUCFUAVKB-UHFFFAOYSA-N 1 3 331.504 2.575 20 0 EFADHO CN(CC(=O)NCC[NH2+]CCc1ccc2ccccc2c1)C1CCC1 ZINC001129535302 1280251765 /nfs/dbraw/zinc/25/17/65/1280251765.db2.gz NSVPHJGDJPDBLG-UHFFFAOYSA-N 1 3 339.483 2.572 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091267143 1280254435 /nfs/dbraw/zinc/25/44/35/1280254435.db2.gz AJHBMMQWZQSUEV-DAWZGUTISA-N 1 3 349.544 2.995 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235024 1280309823 /nfs/dbraw/zinc/30/98/23/1280309823.db2.gz CALDPWPNEBFXBV-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001129841594 1280352199 /nfs/dbraw/zinc/35/21/99/1280352199.db2.gz PBBYGXIBLXXZNV-HIFRSBDPSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC001129841594 1280352207 /nfs/dbraw/zinc/35/22/07/1280352207.db2.gz PBBYGXIBLXXZNV-HIFRSBDPSA-N 1 3 339.430 2.606 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856280 1280354149 /nfs/dbraw/zinc/35/41/49/1280354149.db2.gz OYPGTHSZRCOACE-GOSISDBHSA-N 1 3 346.519 2.594 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856280 1280354157 /nfs/dbraw/zinc/35/41/57/1280354157.db2.gz OYPGTHSZRCOACE-GOSISDBHSA-N 1 3 346.519 2.594 20 0 EFADHO [NH3+]CCOc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000846664709 1280381977 /nfs/dbraw/zinc/38/19/77/1280381977.db2.gz AMWVZIAZDXCBKG-KBPBESRZSA-N 1 3 346.349 2.710 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171243117 1280408596 /nfs/dbraw/zinc/40/85/96/1280408596.db2.gz QTJWRZOLJFLYGL-YGFFAISXSA-N 1 3 341.499 2.896 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186534 1280554162 /nfs/dbraw/zinc/55/41/62/1280554162.db2.gz IDVFECRFPMNYJP-GXTWGEPZSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186534 1280554171 /nfs/dbraw/zinc/55/41/71/1280554171.db2.gz IDVFECRFPMNYJP-GXTWGEPZSA-N 1 3 341.908 2.624 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001171259953 1280685075 /nfs/dbraw/zinc/68/50/75/1280685075.db2.gz BSSJPWIZONVXKD-QGZVFWFLSA-N 1 3 331.504 2.936 20 0 EFADHO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000872138737 1287441639 /nfs/dbraw/zinc/44/16/39/1287441639.db2.gz YANGLVFMFZBHCC-JLTOFOAXSA-N 1 3 348.487 2.590 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001130424955 1280856434 /nfs/dbraw/zinc/85/64/34/1280856434.db2.gz IOCQGWAVWDBFSY-UHFFFAOYSA-N 1 3 333.501 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001130424849 1280856526 /nfs/dbraw/zinc/85/65/26/1280856526.db2.gz DEBHAQJOKSWTOW-CYBMUJFWSA-N 1 3 325.884 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001130427115 1280862247 /nfs/dbraw/zinc/86/22/47/1280862247.db2.gz JEODITHNBBVTOR-UHFFFAOYSA-N 1 3 339.911 2.709 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C\Cl ZINC001146584245 1280939500 /nfs/dbraw/zinc/93/95/00/1280939500.db2.gz RUBYCYRKMDJCDT-IIQYJXCPSA-N 1 3 337.895 2.987 20 0 EFADHO COCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001146590833 1280945704 /nfs/dbraw/zinc/94/57/04/1280945704.db2.gz BUYHXSDBIOYOHH-IRXDYDNUSA-N 1 3 349.519 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001146590838 1280945892 /nfs/dbraw/zinc/94/58/92/1280945892.db2.gz BVKVKPMNXVCGHZ-JKSUJKDBSA-N 1 3 337.483 2.869 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146595129 1280946809 /nfs/dbraw/zinc/94/68/09/1280946809.db2.gz XGXFKQJCIRCRSW-JKSUJKDBSA-N 1 3 337.483 2.847 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001146595421 1280946954 /nfs/dbraw/zinc/94/69/54/1280946954.db2.gz ZBUXEIKGWWADGA-KGLIPLIRSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001146595472 1280948168 /nfs/dbraw/zinc/94/81/68/1280948168.db2.gz ZXHLVIKPANGWFX-ZIAGYGMSSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001146595470 1280948309 /nfs/dbraw/zinc/94/83/09/1280948309.db2.gz ZXHLVIKPANGWFX-UONOGXRCSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747267 1281262868 /nfs/dbraw/zinc/26/28/68/1281262868.db2.gz DUHUAOPVVUISJL-ROUUACIJSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747267 1281262873 /nfs/dbraw/zinc/26/28/73/1281262873.db2.gz DUHUAOPVVUISJL-ROUUACIJSA-N 1 3 337.552 2.789 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001147826248 1281304440 /nfs/dbraw/zinc/30/44/40/1281304440.db2.gz SYDHBEAPUQHGKM-QWHCGFSZSA-N 1 3 343.924 2.728 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001147826299 1281304612 /nfs/dbraw/zinc/30/46/12/1281304612.db2.gz VCDVFVWMQSHEAS-DOTOQJQBSA-N 1 3 337.895 2.666 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147835154 1281310240 /nfs/dbraw/zinc/31/02/40/1281310240.db2.gz CYXDNNSZRBTWGR-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001147835154 1281310245 /nfs/dbraw/zinc/31/02/45/1281310245.db2.gz CYXDNNSZRBTWGR-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091667423 1281320166 /nfs/dbraw/zinc/32/01/66/1281320166.db2.gz SSMMRQLRUAJLGA-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091667423 1281320172 /nfs/dbraw/zinc/32/01/72/1281320172.db2.gz SSMMRQLRUAJLGA-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO [NH3+]C1CCN(CCc2cn(-c3ncncc3F)c3ccccc23)CC1 ZINC001170529170 1281379584 /nfs/dbraw/zinc/37/95/84/1281379584.db2.gz XLEMAUXXEZNQGL-UHFFFAOYSA-N 1 3 339.418 2.525 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001148160381 1281437822 /nfs/dbraw/zinc/43/78/22/1281437822.db2.gz HAYGAUHEYVFPJZ-POHAHGRESA-N 1 3 341.499 2.576 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210906 1281452523 /nfs/dbraw/zinc/45/25/23/1281452523.db2.gz XCZNAASJMLBGAM-HNNXBMFYSA-N 1 3 349.906 2.887 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148276939 1281490025 /nfs/dbraw/zinc/49/00/25/1281490025.db2.gz AMOCDEMQWQBIMV-XFHJGTJQSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148276939 1281490031 /nfs/dbraw/zinc/49/00/31/1281490031.db2.gz AMOCDEMQWQBIMV-XFHJGTJQSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292148 1281496186 /nfs/dbraw/zinc/49/61/86/1281496186.db2.gz FSNRCNGZXRAOTP-WAYWQWQTSA-N 1 3 333.520 2.609 20 0 EFADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292148 1281496191 /nfs/dbraw/zinc/49/61/91/1281496191.db2.gz FSNRCNGZXRAOTP-WAYWQWQTSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292659 1281496250 /nfs/dbraw/zinc/49/62/50/1281496250.db2.gz ONCSETDJWJMZNO-XFHJGTJQSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292659 1281496252 /nfs/dbraw/zinc/49/62/52/1281496252.db2.gz ONCSETDJWJMZNO-XFHJGTJQSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)C1 ZINC001148292555 1281497220 /nfs/dbraw/zinc/49/72/20/1281497220.db2.gz KTCQZZCGZPCUPN-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001148292555 1281497228 /nfs/dbraw/zinc/49/72/28/1281497228.db2.gz KTCQZZCGZPCUPN-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292316 1281497415 /nfs/dbraw/zinc/49/74/15/1281497415.db2.gz IRAKMTFMCJYUGJ-ZWKOTPCHSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292316 1281497421 /nfs/dbraw/zinc/49/74/21/1281497421.db2.gz IRAKMTFMCJYUGJ-ZWKOTPCHSA-N 1 3 335.536 2.545 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1)C2)CC(C)(C)C ZINC001148315200 1281513063 /nfs/dbraw/zinc/51/30/63/1281513063.db2.gz FTQCRSGGLILXCE-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2)CC(C)(C)C ZINC001148315200 1281513077 /nfs/dbraw/zinc/51/30/77/1281513077.db2.gz FTQCRSGGLILXCE-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2)CC(C)(C)C ZINC001148315826 1281514568 /nfs/dbraw/zinc/51/45/68/1281514568.db2.gz VTDQUSBKPHUGCQ-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2)CC(C)(C)C ZINC001148315826 1281514574 /nfs/dbraw/zinc/51/45/74/1281514574.db2.gz VTDQUSBKPHUGCQ-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001091716480 1281533847 /nfs/dbraw/zinc/53/38/47/1281533847.db2.gz QJYOZKOCHOMXBP-GGPKGHCWSA-N 1 3 333.520 2.607 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001091716480 1281533860 /nfs/dbraw/zinc/53/38/60/1281533860.db2.gz QJYOZKOCHOMXBP-GGPKGHCWSA-N 1 3 333.520 2.607 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001148542787 1281617954 /nfs/dbraw/zinc/61/79/54/1281617954.db2.gz NISWYUQQFOHMLB-YFHOEESVSA-N 1 3 341.499 2.576 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C\c1ccccc1)C2 ZINC001148542787 1281617961 /nfs/dbraw/zinc/61/79/61/1281617961.db2.gz NISWYUQQFOHMLB-YFHOEESVSA-N 1 3 341.499 2.576 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCCCC(F)(F)F)C2 ZINC001148547622 1281622369 /nfs/dbraw/zinc/62/23/69/1281622369.db2.gz ACZWPIXBSKFFLP-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCCCC(F)(F)F)C2 ZINC001148547622 1281622380 /nfs/dbraw/zinc/62/23/80/1281622380.db2.gz ACZWPIXBSKFFLP-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279914 1287518594 /nfs/dbraw/zinc/51/85/94/1287518594.db2.gz MOUNPEMKJYJMCH-LULLPPNCSA-N 1 3 329.488 2.846 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001148643159 1281669040 /nfs/dbraw/zinc/66/90/40/1281669040.db2.gz SISLNXXOMAACED-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001148642406 1281669359 /nfs/dbraw/zinc/66/93/59/1281669359.db2.gz HPCNIGWLTOUDIR-UHFFFAOYSA-N 1 3 345.512 2.963 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1ccc(NC(=N)N)cc1 ZINC001148652366 1281674827 /nfs/dbraw/zinc/67/48/27/1281674827.db2.gz RUTJMOXLHFUZEH-MRXNPFEDSA-N 1 3 337.427 2.741 20 0 EFADHO Cn1cnc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000808394031 1281699283 /nfs/dbraw/zinc/69/92/83/1281699283.db2.gz ZXZODPARYXWRPS-UHFFFAOYSA-N 1 3 342.487 2.581 20 0 EFADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834219 1281759714 /nfs/dbraw/zinc/75/97/14/1281759714.db2.gz YKWUXWADYHSOOE-DUMMIQTOSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834219 1281759725 /nfs/dbraw/zinc/75/97/25/1281759725.db2.gz YKWUXWADYHSOOE-DUMMIQTOSA-N 1 3 333.520 2.751 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838624 1281778745 /nfs/dbraw/zinc/77/87/45/1281778745.db2.gz CRUOWLYOMWDHQS-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838624 1281778754 /nfs/dbraw/zinc/77/87/54/1281778754.db2.gz CRUOWLYOMWDHQS-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907848 1281907925 /nfs/dbraw/zinc/90/79/25/1281907925.db2.gz DRFANVQIFDHZQO-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CCC1CC1)CC2 ZINC001086926966 1281948676 /nfs/dbraw/zinc/94/86/76/1281948676.db2.gz OSLBANZPYWJPPV-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927262 1281949923 /nfs/dbraw/zinc/94/99/23/1281949923.db2.gz XRVPAACPFFLULT-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C[C@H]2C)CC[NH+](CCC2CC2)CC3)C1 ZINC001086942635 1281974396 /nfs/dbraw/zinc/97/43/96/1281974396.db2.gz XDKWNWUOCGEKSZ-QZTJIDSGSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001086928346 1281991486 /nfs/dbraw/zinc/99/14/86/1281991486.db2.gz BSNCULXYTLQKLC-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO COCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171359502 1282048642 /nfs/dbraw/zinc/04/86/42/1282048642.db2.gz RXQBWYLPYPQRKZ-MSOLQXFVSA-N 1 3 343.556 2.654 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=S)NC1CCN(C)CC1 ZINC000809160828 1282071970 /nfs/dbraw/zinc/07/19/70/1282071970.db2.gz FINOBAVJMRYDDP-UHFFFAOYSA-N 1 3 340.581 2.543 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001175766707 1287547191 /nfs/dbraw/zinc/54/71/91/1287547191.db2.gz AARXSIQJJHDETK-JFBXQDQPSA-N 1 3 338.323 2.912 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001171366806 1282105309 /nfs/dbraw/zinc/10/53/09/1282105309.db2.gz CMEAWINKEDGYDC-KGLIPLIRSA-N 1 3 339.446 2.790 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367486 1282119592 /nfs/dbraw/zinc/11/95/92/1282119592.db2.gz NTVVRJUGKHIJBM-LPHOPBHVSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1 ZINC001175786191 1287551742 /nfs/dbraw/zinc/55/17/42/1287551742.db2.gz IFMKQEPYIOTARO-MRXNPFEDSA-N 1 3 339.549 2.897 20 0 EFADHO CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000747556240 1282183436 /nfs/dbraw/zinc/18/34/36/1282183436.db2.gz SNGXWBWDLRRXPD-DOTOQJQBSA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000747556240 1282183438 /nfs/dbraw/zinc/18/34/38/1282183438.db2.gz SNGXWBWDLRRXPD-DOTOQJQBSA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000747556250 1282183760 /nfs/dbraw/zinc/18/37/60/1282183760.db2.gz SNGXWBWDLRRXPD-NVXWUHKLSA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000747556250 1282183766 /nfs/dbraw/zinc/18/37/66/1282183766.db2.gz SNGXWBWDLRRXPD-NVXWUHKLSA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000747556252 1282184241 /nfs/dbraw/zinc/18/42/41/1282184241.db2.gz SNGXWBWDLRRXPD-RDJZCZTQSA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000747556252 1282184244 /nfs/dbraw/zinc/18/42/44/1282184244.db2.gz SNGXWBWDLRRXPD-RDJZCZTQSA-N 1 3 344.421 2.882 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206274840 1287986353 /nfs/dbraw/zinc/98/63/53/1287986353.db2.gz LOLIREVMFVIOQT-MLJKTZRHSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206274840 1287986361 /nfs/dbraw/zinc/98/63/61/1287986361.db2.gz LOLIREVMFVIOQT-MLJKTZRHSA-N 1 3 348.318 2.618 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985427 1282285255 /nfs/dbraw/zinc/28/52/55/1282285255.db2.gz QTNKRKPMEHOBPP-GGPKGHCWSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985427 1282285265 /nfs/dbraw/zinc/28/52/65/1282285265.db2.gz QTNKRKPMEHOBPP-GGPKGHCWSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000809616316 1282320995 /nfs/dbraw/zinc/32/09/95/1282320995.db2.gz NAZNFMYJPMEFRH-IAGOWNOFSA-N 1 3 344.455 2.670 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794171 1282321909 /nfs/dbraw/zinc/32/19/09/1282321909.db2.gz LRSCLUPAMIPRPD-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCNCc2cccc(F)c2)CCCCC1 ZINC001131793969 1282322014 /nfs/dbraw/zinc/32/20/14/1282322014.db2.gz GUVDIPNSHWSYPU-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1 ZINC001092011171 1282336983 /nfs/dbraw/zinc/33/69/83/1282336983.db2.gz RRUYPYSKGTXLSX-QFUCXCTJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1 ZINC001092011171 1282336993 /nfs/dbraw/zinc/33/69/93/1282336993.db2.gz RRUYPYSKGTXLSX-QFUCXCTJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)C1 ZINC001092013405 1282339675 /nfs/dbraw/zinc/33/96/75/1282339675.db2.gz PUYJVHPMKCETDD-CDXJDZJCSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)C1 ZINC001092013405 1282339684 /nfs/dbraw/zinc/33/96/84/1282339684.db2.gz PUYJVHPMKCETDD-CDXJDZJCSA-N 1 3 347.547 2.545 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092070839 1282367803 /nfs/dbraw/zinc/36/78/03/1282367803.db2.gz AHHPTSSPWZAZOH-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092070839 1282367808 /nfs/dbraw/zinc/36/78/08/1282367808.db2.gz AHHPTSSPWZAZOH-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001131828642 1282417227 /nfs/dbraw/zinc/41/72/27/1282417227.db2.gz YMJPZQHNEWATOD-HNNXBMFYSA-N 1 3 335.467 2.857 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093119 1287605934 /nfs/dbraw/zinc/60/59/34/1287605934.db2.gz IPYXPJABSGQEPE-GXTWGEPZSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093119 1287605938 /nfs/dbraw/zinc/60/59/38/1287605938.db2.gz IPYXPJABSGQEPE-GXTWGEPZSA-N 1 3 341.908 2.624 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CN1CCCF ZINC001132141209 1283066665 /nfs/dbraw/zinc/06/66/65/1283066665.db2.gz PNMULKQJSIWEGX-JKSUJKDBSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CN1CCCF ZINC001132141209 1283066673 /nfs/dbraw/zinc/06/66/73/1283066673.db2.gz PNMULKQJSIWEGX-JKSUJKDBSA-N 1 3 341.515 2.968 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132265135 1283219628 /nfs/dbraw/zinc/21/96/28/1283219628.db2.gz IJSMLKRRGGFBTO-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)s1 ZINC001132266781 1283220974 /nfs/dbraw/zinc/22/09/74/1283220974.db2.gz ZXHGQUBPJXXXTG-CXAGYDPISA-N 1 3 337.533 2.786 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)s1 ZINC001132266788 1283222828 /nfs/dbraw/zinc/22/28/28/1283222828.db2.gz ZXHGQUBPJXXXTG-SUMWQHHRSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)(C(=O)NCCNCc1cc2ccccc2o1)[NH+]1CCCC1 ZINC001132280692 1283232810 /nfs/dbraw/zinc/23/28/10/1283232810.db2.gz QYFSYLQVXSVYIM-UHFFFAOYSA-N 1 3 329.444 2.513 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735983 1283311948 /nfs/dbraw/zinc/31/19/48/1283311948.db2.gz TUGPATXWVOBSPZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735983 1283311954 /nfs/dbraw/zinc/31/19/54/1283311954.db2.gz TUGPATXWVOBSPZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](F)C[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222409 1283511446 /nfs/dbraw/zinc/51/14/46/1283511446.db2.gz LBZVRSSHDWYNDP-LZQZEXGQSA-N 1 3 349.494 2.794 20 0 EFADHO CC[C@H](F)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222409 1283511451 /nfs/dbraw/zinc/51/14/51/1283511451.db2.gz LBZVRSSHDWYNDP-LZQZEXGQSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222885 1283511735 /nfs/dbraw/zinc/51/17/35/1283511735.db2.gz QYLYNOHFIWGVAL-ZTNYTRGMSA-N 1 3 349.906 2.798 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222885 1283511743 /nfs/dbraw/zinc/51/17/43/1283511743.db2.gz QYLYNOHFIWGVAL-ZTNYTRGMSA-N 1 3 349.906 2.798 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222867 1283511983 /nfs/dbraw/zinc/51/19/83/1283511983.db2.gz QJYRGLPLPFUVCF-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222867 1283511991 /nfs/dbraw/zinc/51/19/91/1283511991.db2.gz QJYRGLPLPFUVCF-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224416 1283512700 /nfs/dbraw/zinc/51/27/00/1283512700.db2.gz VQJZKNMOFIRNPL-CGMDOEBQSA-N 1 3 349.906 2.798 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224416 1283512707 /nfs/dbraw/zinc/51/27/07/1283512707.db2.gz VQJZKNMOFIRNPL-CGMDOEBQSA-N 1 3 349.906 2.798 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132419851 1283513480 /nfs/dbraw/zinc/51/34/80/1283513480.db2.gz JCXPUKJHCJANJJ-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CCCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223865 1283513988 /nfs/dbraw/zinc/51/39/88/1283513988.db2.gz INPXSJPZACIBRD-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO CCCC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093223865 1283513995 /nfs/dbraw/zinc/51/39/95/1283513995.db2.gz INPXSJPZACIBRD-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410776 1283530814 /nfs/dbraw/zinc/53/08/14/1283530814.db2.gz OADDVQBPPJHLPU-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410776 1283530818 /nfs/dbraw/zinc/53/08/18/1283530818.db2.gz OADDVQBPPJHLPU-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1csc(C)n1 ZINC001176023909 1287660254 /nfs/dbraw/zinc/66/02/54/1287660254.db2.gz LNNLLLONOBTKFY-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1csc(C)n1 ZINC001176023909 1287660262 /nfs/dbraw/zinc/66/02/62/1287660262.db2.gz LNNLLLONOBTKFY-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093363367 1283785326 /nfs/dbraw/zinc/78/53/26/1283785326.db2.gz ZLLDTOFUNMKOJC-QZTJIDSGSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093363367 1283785336 /nfs/dbraw/zinc/78/53/36/1283785336.db2.gz ZLLDTOFUNMKOJC-QZTJIDSGSA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093369578 1283799407 /nfs/dbraw/zinc/79/94/07/1283799407.db2.gz DIGMGOHVPAVWED-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093369578 1283799411 /nfs/dbraw/zinc/79/94/11/1283799411.db2.gz DIGMGOHVPAVWED-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093372040 1283808083 /nfs/dbraw/zinc/80/80/83/1283808083.db2.gz YCUOCAPNWAUATA-KRWDZBQOSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093372040 1283808095 /nfs/dbraw/zinc/80/80/95/1283808095.db2.gz YCUOCAPNWAUATA-KRWDZBQOSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001093378893 1283835913 /nfs/dbraw/zinc/83/59/13/1283835913.db2.gz VMOWPBLRKMPFDD-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001093378893 1283835924 /nfs/dbraw/zinc/83/59/24/1283835924.db2.gz VMOWPBLRKMPFDD-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384186 1283857580 /nfs/dbraw/zinc/85/75/80/1283857580.db2.gz USBBAROLPPHQMX-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384186 1283857586 /nfs/dbraw/zinc/85/75/86/1283857586.db2.gz USBBAROLPPHQMX-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384187 1283859080 /nfs/dbraw/zinc/85/90/80/1283859080.db2.gz USBBAROLPPHQMX-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384187 1283859085 /nfs/dbraw/zinc/85/90/85/1283859085.db2.gz USBBAROLPPHQMX-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093384425 1283860501 /nfs/dbraw/zinc/86/05/01/1283860501.db2.gz ZLAZQESJDPACKE-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093384425 1283860509 /nfs/dbraw/zinc/86/05/09/1283860509.db2.gz ZLAZQESJDPACKE-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715046472 1284011800 /nfs/dbraw/zinc/01/18/00/1284011800.db2.gz IFAGOPXKLLYPKE-ZCNNSNEGSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715046472 1284011815 /nfs/dbraw/zinc/01/18/15/1284011815.db2.gz IFAGOPXKLLYPKE-ZCNNSNEGSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715046467 1284011995 /nfs/dbraw/zinc/01/19/95/1284011995.db2.gz IFAGOPXKLLYPKE-VAMGGRTRSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715046467 1284012003 /nfs/dbraw/zinc/01/20/03/1284012003.db2.gz IFAGOPXKLLYPKE-VAMGGRTRSA-N 1 3 341.499 2.627 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820285 1284095876 /nfs/dbraw/zinc/09/58/76/1284095876.db2.gz FYXFOEUYENVQRH-ROUUACIJSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820285 1284095884 /nfs/dbraw/zinc/09/58/84/1284095884.db2.gz FYXFOEUYENVQRH-ROUUACIJSA-N 1 3 333.520 2.607 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001036829653 1284170894 /nfs/dbraw/zinc/17/08/94/1284170894.db2.gz IZAFKBLQWAVDQQ-MJGOQNOKSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001036829653 1284170897 /nfs/dbraw/zinc/17/08/97/1284170897.db2.gz IZAFKBLQWAVDQQ-MJGOQNOKSA-N 1 3 342.487 2.766 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852817 1284326819 /nfs/dbraw/zinc/32/68/19/1284326819.db2.gz KDKZOHBYYPKQRZ-RBUKOAKNSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852817 1284326828 /nfs/dbraw/zinc/32/68/28/1284326828.db2.gz KDKZOHBYYPKQRZ-RBUKOAKNSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853185 1284326978 /nfs/dbraw/zinc/32/69/78/1284326978.db2.gz PHKSTDLBDLAXSK-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853185 1284326982 /nfs/dbraw/zinc/32/69/82/1284326982.db2.gz PHKSTDLBDLAXSK-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132830169 1284357233 /nfs/dbraw/zinc/35/72/33/1284357233.db2.gz AQGRSSOMFWHJDZ-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001132938776 1284492378 /nfs/dbraw/zinc/49/23/78/1284492378.db2.gz ZBZMADZEVSCGBH-LADOHOGBSA-N 1 3 329.916 2.543 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001093825776 1284545848 /nfs/dbraw/zinc/54/58/48/1284545848.db2.gz NQQHEEOAUCYHCF-JWHDQAAXSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)c2)[C@H](C)C1)N(C)C ZINC001093857747 1284571849 /nfs/dbraw/zinc/57/18/49/1284571849.db2.gz VVJOTWOMIYLDEM-KBRIMQKVSA-N 1 3 337.533 2.581 20 0 EFADHO C[C@@H](NCCNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC001133000715 1284589034 /nfs/dbraw/zinc/58/90/34/1284589034.db2.gz ISXBFPSRICTJRE-GFCCVEGCSA-N 1 3 341.858 2.588 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185321 1287731275 /nfs/dbraw/zinc/73/12/75/1287731275.db2.gz WZZPDOJZKZEXIK-JFBXQDQPSA-N 1 3 348.318 2.666 20 0 EFADHO C[NH+](C)CCCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001133051760 1284693970 /nfs/dbraw/zinc/69/39/70/1284693970.db2.gz NRPIRCVFEIDNEX-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001094020629 1284714081 /nfs/dbraw/zinc/71/40/81/1284714081.db2.gz PWPUJSDGOFUMJA-MISYRCLQSA-N 1 3 345.531 2.765 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cs1 ZINC001094042162 1284729928 /nfs/dbraw/zinc/72/99/28/1284729928.db2.gz MAGIOCPDOJQEHQ-IIDMSEBBSA-N 1 3 349.544 2.582 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3=CCCCC3)[C@H](C)C2)C1 ZINC001094042170 1284730851 /nfs/dbraw/zinc/73/08/51/1284730851.db2.gz MJCMAZSBKBUWFU-YQVWRLOYSA-N 1 3 333.520 2.513 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1)N(C)C ZINC001094049051 1284733661 /nfs/dbraw/zinc/73/36/61/1284733661.db2.gz BDEVXFQHKNLCAT-RLLQIKCJSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1F ZINC001094074473 1284758929 /nfs/dbraw/zinc/75/89/29/1284758929.db2.gz BSLWMMGPQLEBRC-RBSFLKMASA-N 1 3 344.434 2.537 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133121217 1284831817 /nfs/dbraw/zinc/83/18/17/1284831817.db2.gz FGDIUPAVZXHNCQ-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133121664 1284832601 /nfs/dbraw/zinc/83/26/01/1284832601.db2.gz JZITXRWYDUXXJH-SJORKVTESA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133134807 1284847006 /nfs/dbraw/zinc/84/70/06/1284847006.db2.gz HWZGNELIOHMAFG-AEFFLSMTSA-N 1 3 344.503 2.917 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133134810 1284847834 /nfs/dbraw/zinc/84/78/34/1284847834.db2.gz HWZGNELIOHMAFG-SJLPKXTDSA-N 1 3 344.503 2.917 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133178031 1284935914 /nfs/dbraw/zinc/93/59/14/1284935914.db2.gz JTFZKVOOGKQNBM-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133178534 1284937113 /nfs/dbraw/zinc/93/71/13/1284937113.db2.gz SQWKFQKHTMCPEP-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133185988 1284951904 /nfs/dbraw/zinc/95/19/04/1284951904.db2.gz LSEWIBCWVJNSPL-QZTJIDSGSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133253597 1285092369 /nfs/dbraw/zinc/09/23/69/1285092369.db2.gz KEZQBKPCXVBKRU-QUCCMNQESA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133274027 1285112996 /nfs/dbraw/zinc/11/29/96/1285112996.db2.gz AICDOFAMZDGWCY-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133274089 1285113579 /nfs/dbraw/zinc/11/35/79/1285113579.db2.gz BAUVKULCWFDWOU-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133274277 1285113873 /nfs/dbraw/zinc/11/38/73/1285113873.db2.gz FIHGUPQRVRGCND-NVXWUHKLSA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133274125 1285113962 /nfs/dbraw/zinc/11/39/62/1285113962.db2.gz BMXTUCMETYZRCE-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133274603 1285114636 /nfs/dbraw/zinc/11/46/36/1285114636.db2.gz KZTBNWDGPRDPSM-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133274618 1285115492 /nfs/dbraw/zinc/11/54/92/1285115492.db2.gz LHEPKJVTKOKZNX-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H](NCCNC(=O)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001133287344 1285127426 /nfs/dbraw/zinc/12/74/26/1285127426.db2.gz IIEBJGXQQIBSLW-NSHDSACASA-N 1 3 332.275 2.712 20 0 EFADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337776 1285216869 /nfs/dbraw/zinc/21/68/69/1285216869.db2.gz PPBSHKCDASECCZ-QFBILLFUSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CCCF ZINC001133342027 1285223210 /nfs/dbraw/zinc/22/32/10/1285223210.db2.gz MNKSYXZGHIHNNM-SJLPKXTDSA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133346599 1285226341 /nfs/dbraw/zinc/22/63/41/1285226341.db2.gz NFOBZUVZWVDDPZ-IEBWSBKVSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133345599 1285227125 /nfs/dbraw/zinc/22/71/25/1285227125.db2.gz FGIDTNPPJHTGFW-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345484 1285227200 /nfs/dbraw/zinc/22/72/00/1285227200.db2.gz CREBQIDJKYWFCA-ROUUACIJSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133347381 1285234215 /nfs/dbraw/zinc/23/42/15/1285234215.db2.gz WVZHQEFJAZCVQF-HKUYNNGSSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133347763 1285236343 /nfs/dbraw/zinc/23/63/43/1285236343.db2.gz ZIDHWKOUPKNAFM-SJLPKXTDSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc[nH+]c(N2CCOCC2)c1 ZINC001170681342 1285272904 /nfs/dbraw/zinc/27/29/04/1285272904.db2.gz NMIJZQVDNUVRMV-HNNXBMFYSA-N 1 3 349.438 2.791 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582548 1285353805 /nfs/dbraw/zinc/35/38/05/1285353805.db2.gz QSMFAYHRWXRPTH-UYAOXDASSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC001094582548 1285353814 /nfs/dbraw/zinc/35/38/14/1285353814.db2.gz QSMFAYHRWXRPTH-UYAOXDASSA-N 1 3 329.488 2.743 20 0 EFADHO C[NH+](C)CCCC(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133405620 1285358927 /nfs/dbraw/zinc/35/89/27/1285358927.db2.gz INJAOEDXMVJFTF-UHFFFAOYSA-N 1 3 343.874 2.570 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](CC)N(C)C ZINC001133405935 1285360104 /nfs/dbraw/zinc/36/01/04/1285360104.db2.gz XUHCIFGWDZDOLH-INIZCTEOSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001133416000 1285379622 /nfs/dbraw/zinc/37/96/22/1285379622.db2.gz YHHBWRTZQGMGSW-CZUORRHYSA-N 1 3 325.884 2.693 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)C1 ZINC001036901961 1285380189 /nfs/dbraw/zinc/38/01/89/1285380189.db2.gz BLDUJSJWPAFCQK-QUCCMNQESA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CC2)C1 ZINC001036901961 1285380198 /nfs/dbraw/zinc/38/01/98/1285380198.db2.gz BLDUJSJWPAFCQK-QUCCMNQESA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902962 1285385018 /nfs/dbraw/zinc/38/50/18/1285385018.db2.gz SRIPQKNICDIRHY-WOJBJXKFSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902962 1285385025 /nfs/dbraw/zinc/38/50/25/1285385025.db2.gz SRIPQKNICDIRHY-WOJBJXKFSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCF)C2)c1 ZINC001036902869 1285385580 /nfs/dbraw/zinc/38/55/80/1285385580.db2.gz RDIXMLWCOLPQSE-RBUKOAKNSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCF)C2)c1 ZINC001036902869 1285385598 /nfs/dbraw/zinc/38/55/98/1285385598.db2.gz RDIXMLWCOLPQSE-RBUKOAKNSA-N 1 3 347.478 2.644 20 0 EFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000812745290 1285394779 /nfs/dbraw/zinc/39/47/79/1285394779.db2.gz VOGDPPWXOJQPPC-HNNXBMFYSA-N 1 3 330.476 2.741 20 0 EFADHO CC(C)[C@H](C(=O)NCCN[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001133434500 1285425833 /nfs/dbraw/zinc/42/58/33/1285425833.db2.gz UUWLOQHCUXOTPE-CZUORRHYSA-N 1 3 325.884 2.693 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001171499022 1285584179 /nfs/dbraw/zinc/58/41/79/1285584179.db2.gz FALKJKOPTFGYTG-MAUKXSAKSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1scnc1C)N(C)C ZINC001171501286 1285611070 /nfs/dbraw/zinc/61/10/70/1285611070.db2.gz RRHMSJJLTDXBIM-DZGCQCFKSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001171508535 1285616133 /nfs/dbraw/zinc/61/61/33/1285616133.db2.gz FJDWOOAGRPBKQK-CRAIPNDOSA-N 1 3 337.483 2.931 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCOCC(C)C ZINC001171586925 1285636702 /nfs/dbraw/zinc/63/67/02/1285636702.db2.gz VYWZDMFHXHGSGW-KRWDZBQOSA-N 1 3 343.556 2.654 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC[C@@H]1CCCO1 ZINC001171586285 1285637854 /nfs/dbraw/zinc/63/78/54/1285637854.db2.gz KYJWEGGODGVRDA-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171563240 1285650660 /nfs/dbraw/zinc/65/06/60/1285650660.db2.gz GFTWNVOUDZSUEP-HXUWFJFHSA-N 1 3 329.532 2.812 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2(C[NH3+])CC2)C[C@H]1C(C)(C)C ZINC001171595516 1285666439 /nfs/dbraw/zinc/66/64/39/1285666439.db2.gz FRRJULVNFPDCHR-KGLIPLIRSA-N 1 3 325.497 2.882 20 0 EFADHO Cc1ccnc(O[C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641633 1285720564 /nfs/dbraw/zinc/72/05/64/1285720564.db2.gz RJFWESLEPHCPLF-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1ccnc(O[C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641633 1285720571 /nfs/dbraw/zinc/72/05/71/1285720571.db2.gz RJFWESLEPHCPLF-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1nccnc1O[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641911 1285720749 /nfs/dbraw/zinc/72/07/49/1285720749.db2.gz VTJOVUTWCOTOAE-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1nccnc1O[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641911 1285720754 /nfs/dbraw/zinc/72/07/54/1285720754.db2.gz VTJOVUTWCOTOAE-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1ccnc(O[C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641632 1285720974 /nfs/dbraw/zinc/72/09/74/1285720974.db2.gz RJFWESLEPHCPLF-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1ccnc(O[C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641632 1285720978 /nfs/dbraw/zinc/72/09/78/1285720978.db2.gz RJFWESLEPHCPLF-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001171732304 1285748454 /nfs/dbraw/zinc/74/84/54/1285748454.db2.gz ZNSVWEOOUZBRQN-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCN[C@@H](C)c1cc(F)ccc1F ZINC001171732304 1285748457 /nfs/dbraw/zinc/74/84/57/1285748457.db2.gz ZNSVWEOOUZBRQN-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001171762840 1285769573 /nfs/dbraw/zinc/76/95/73/1285769573.db2.gz NETQAMNRDGJYBE-KRWDZBQOSA-N 1 3 337.895 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC001171762842 1285770170 /nfs/dbraw/zinc/77/01/70/1285770170.db2.gz NLDBPUQAMGSKLE-UHFFFAOYSA-N 1 3 349.519 2.659 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccc(F)c(Cl)c1)[NH+](CC)CC ZINC001133685696 1285779872 /nfs/dbraw/zinc/77/98/72/1285779872.db2.gz ZSPJLMRTHPYCBK-INIZCTEOSA-N 1 3 343.874 2.805 20 0 EFADHO Fc1cccc2c1C[C@@H]([NH2+]C1CCN(CC3CCOCC3)CC1)C2 ZINC001171785234 1285804602 /nfs/dbraw/zinc/80/46/02/1285804602.db2.gz LEBAVMXMAMHYCM-SFHVURJKSA-N 1 3 332.463 2.774 20 0 EFADHO Fc1cccc2c1C[C@@H](NC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171785234 1285804605 /nfs/dbraw/zinc/80/46/05/1285804605.db2.gz LEBAVMXMAMHYCM-SFHVURJKSA-N 1 3 332.463 2.774 20 0 EFADHO N[C@@H]1CCC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171992283 1285945925 /nfs/dbraw/zinc/94/59/25/1285945925.db2.gz HCPDBVIZJZEQAI-CQSZACIVSA-N 1 3 338.293 2.841 20 0 EFADHO N[C@@H]1CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171992283 1285945929 /nfs/dbraw/zinc/94/59/29/1285945929.db2.gz HCPDBVIZJZEQAI-CQSZACIVSA-N 1 3 338.293 2.841 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086711985 1285948480 /nfs/dbraw/zinc/94/84/80/1285948480.db2.gz KPGQHGHAAHWSIP-JQHSSLGASA-N 1 3 349.544 2.997 20 0 EFADHO O=C1C[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCN1C1CC1 ZINC001172007942 1285950481 /nfs/dbraw/zinc/95/04/81/1285950481.db2.gz MCVIMSQASUVBCL-SJLPKXTDSA-N 1 3 331.504 2.550 20 0 EFADHO CN1C(=O)CC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974144 1285957189 /nfs/dbraw/zinc/95/71/89/1285957189.db2.gz ASQXRLRERBJEGP-MSOLQXFVSA-N 1 3 329.488 2.640 20 0 EFADHO CN1C(=O)CC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974144 1285957193 /nfs/dbraw/zinc/95/71/93/1285957193.db2.gz ASQXRLRERBJEGP-MSOLQXFVSA-N 1 3 329.488 2.640 20 0 EFADHO CN1C(=O)CC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974146 1285957310 /nfs/dbraw/zinc/95/73/10/1285957310.db2.gz ASQXRLRERBJEGP-QZTJIDSGSA-N 1 3 329.488 2.640 20 0 EFADHO CN1C(=O)CC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974146 1285957313 /nfs/dbraw/zinc/95/73/13/1285957313.db2.gz ASQXRLRERBJEGP-QZTJIDSGSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001133819443 1285973654 /nfs/dbraw/zinc/97/36/54/1285973654.db2.gz CAZLPRIHBGDLHY-DYVFJYSZSA-N 1 3 335.879 2.517 20 0 EFADHO CC[C@@H](NCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1F ZINC001133823311 1285981403 /nfs/dbraw/zinc/98/14/03/1285981403.db2.gz BQLQOVINCXLJKN-CXAGYDPISA-N 1 3 339.430 2.606 20 0 EFADHO CC[C@@H](NCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc(F)cc1F ZINC001133823311 1285981408 /nfs/dbraw/zinc/98/14/08/1285981408.db2.gz BQLQOVINCXLJKN-CXAGYDPISA-N 1 3 339.430 2.606 20 0 EFADHO CO[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1OC ZINC001172067409 1286007130 /nfs/dbraw/zinc/00/71/30/1286007130.db2.gz CIMIBYKYROXFDO-UZFIKNKDSA-N 1 3 344.499 2.918 20 0 EFADHO CO[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1OC ZINC001172067409 1286007132 /nfs/dbraw/zinc/00/71/32/1286007132.db2.gz CIMIBYKYROXFDO-UZFIKNKDSA-N 1 3 344.499 2.918 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129823 1286012087 /nfs/dbraw/zinc/01/20/87/1286012087.db2.gz DGJQYYDGNZYUQY-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129823 1286012091 /nfs/dbraw/zinc/01/20/91/1286012091.db2.gz DGJQYYDGNZYUQY-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172129170 1286012339 /nfs/dbraw/zinc/01/23/39/1286012339.db2.gz XKFIFOKCFQVOKV-NRKLIOEPSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172129170 1286012344 /nfs/dbraw/zinc/01/23/44/1286012344.db2.gz XKFIFOKCFQVOKV-NRKLIOEPSA-N 1 3 337.508 2.847 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001133850994 1286012388 /nfs/dbraw/zinc/01/23/88/1286012388.db2.gz UHBJFYACAPGHDD-SONCPKABSA-N 1 3 347.478 2.618 20 0 EFADHO COc1cccnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172130443 1286014930 /nfs/dbraw/zinc/01/49/30/1286014930.db2.gz ILXUMZMTYMJSOM-HZMVEIRTSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172130443 1286014935 /nfs/dbraw/zinc/01/49/35/1286014935.db2.gz ILXUMZMTYMJSOM-HZMVEIRTSA-N 1 3 331.460 2.559 20 0 EFADHO CCN(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172110286 1286023964 /nfs/dbraw/zinc/02/39/64/1286023964.db2.gz MIHHDAYHSBFAEI-PHZGNYQRSA-N 1 3 325.497 2.848 20 0 EFADHO CCN(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172110286 1286023971 /nfs/dbraw/zinc/02/39/71/1286023971.db2.gz MIHHDAYHSBFAEI-PHZGNYQRSA-N 1 3 325.497 2.848 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CN2CC[C@H](C)C2)c(C)c1C ZINC001133845720 1286024266 /nfs/dbraw/zinc/02/42/66/1286024266.db2.gz MHLKDJNOMYWIPV-AWEZNQCLSA-N 1 3 345.531 2.776 20 0 EFADHO CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001133845970 1286024938 /nfs/dbraw/zinc/02/49/38/1286024938.db2.gz QWNXWBBIBKIFCH-DLBZAZTESA-N 1 3 331.504 2.919 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846257 1286025323 /nfs/dbraw/zinc/02/53/23/1286025323.db2.gz XKFVKBWHPVWAPR-MRXNPFEDSA-N 1 3 339.483 2.696 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC(=O)N[C@H]1c1ccccc1)C2 ZINC001172117571 1286027090 /nfs/dbraw/zinc/02/70/90/1286027090.db2.gz MTHDDYQPDOINDY-JNIAIEOXSA-N 1 3 327.472 2.611 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1CCC(=O)N[C@H]1c1ccccc1)C2 ZINC001172117571 1286027092 /nfs/dbraw/zinc/02/70/92/1286027092.db2.gz MTHDDYQPDOINDY-JNIAIEOXSA-N 1 3 327.472 2.611 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC(=O)N[C@H]1c1ccccc1)C2 ZINC001172117572 1286027207 /nfs/dbraw/zinc/02/72/07/1286027207.db2.gz MTHDDYQPDOINDY-STEXWYFWSA-N 1 3 327.472 2.611 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1CCC(=O)N[C@H]1c1ccccc1)C2 ZINC001172117572 1286027208 /nfs/dbraw/zinc/02/72/08/1286027208.db2.gz MTHDDYQPDOINDY-STEXWYFWSA-N 1 3 327.472 2.611 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(CCOc3ccccc3)CC1)C2 ZINC001172120109 1286027897 /nfs/dbraw/zinc/02/78/97/1286027897.db2.gz CKXIBVWYROSJPF-ACDBMABISA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119732 1286027968 /nfs/dbraw/zinc/02/79/68/1286027968.db2.gz ZXLRWSJABNDYHG-PLACYPQZSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119732 1286027973 /nfs/dbraw/zinc/02/79/73/1286027973.db2.gz ZXLRWSJABNDYHG-PLACYPQZSA-N 1 3 349.563 2.825 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001165719075 1312669945 /nfs/dbraw/zinc/66/99/45/1312669945.db2.gz ZWVWCCLWFSVEKS-GOSISDBHSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119733 1286028749 /nfs/dbraw/zinc/02/87/49/1286028749.db2.gz ZXLRWSJABNDYHG-WOZUAGRISA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119733 1286028752 /nfs/dbraw/zinc/02/87/52/1286028752.db2.gz ZXLRWSJABNDYHG-WOZUAGRISA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119730 1286028783 /nfs/dbraw/zinc/02/87/83/1286028783.db2.gz ZXLRWSJABNDYHG-BQJUDKOJSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119730 1286028785 /nfs/dbraw/zinc/02/87/85/1286028785.db2.gz ZXLRWSJABNDYHG-BQJUDKOJSA-N 1 3 349.563 2.825 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001172120855 1286030382 /nfs/dbraw/zinc/03/03/82/1286030382.db2.gz GKUYOOYJTKOJJG-BCDXTJNWSA-N 1 3 333.545 2.924 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001172120855 1286030383 /nfs/dbraw/zinc/03/03/83/1286030383.db2.gz GKUYOOYJTKOJJG-BCDXTJNWSA-N 1 3 333.545 2.924 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001133856646 1286031584 /nfs/dbraw/zinc/03/15/84/1286031584.db2.gz MRTYLRUOXVWSKX-FXAWDEMLSA-N 1 3 347.478 2.592 20 0 EFADHO NC1(c2ccccc2Cl)CC[NH+]([C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172156949 1286041446 /nfs/dbraw/zinc/04/14/46/1286041446.db2.gz GDYBXWSVBKABRQ-CABCVRRESA-N 1 3 347.890 2.743 20 0 EFADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)CCN12 ZINC001172165911 1286044955 /nfs/dbraw/zinc/04/49/55/1286044955.db2.gz KVDXDSBPVLMTRY-NZSAHSFTSA-N 1 3 331.504 2.550 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172182396 1286049844 /nfs/dbraw/zinc/04/98/44/1286049844.db2.gz GWZJNAKFMXXZKE-RTBURBONSA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172182396 1286049845 /nfs/dbraw/zinc/04/98/45/1286049845.db2.gz GWZJNAKFMXXZKE-RTBURBONSA-N 1 3 333.520 2.869 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)[C@H]1CSc2ccccc2C1 ZINC001172204324 1286050480 /nfs/dbraw/zinc/05/04/80/1286050480.db2.gz ZCROFQAKAHMPSG-MRXNPFEDSA-N 1 3 336.501 2.520 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@H]1CSc2ccccc2C1 ZINC001172204324 1286050487 /nfs/dbraw/zinc/05/04/87/1286050487.db2.gz ZCROFQAKAHMPSG-MRXNPFEDSA-N 1 3 336.501 2.520 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@H](C)CN)CC1 ZINC001172211651 1286054074 /nfs/dbraw/zinc/05/40/74/1286054074.db2.gz YBRPCEDVPCQCRI-IMUUDWKMSA-N 1 3 338.879 2.878 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870911 1286054730 /nfs/dbraw/zinc/05/47/30/1286054730.db2.gz XCISSHQCMYLYGM-MGPUTAFESA-N 1 3 349.478 2.660 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870911 1286054734 /nfs/dbraw/zinc/05/47/34/1286054734.db2.gz XCISSHQCMYLYGM-MGPUTAFESA-N 1 3 349.478 2.660 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001133896218 1286076347 /nfs/dbraw/zinc/07/63/47/1286076347.db2.gz FDWZGWBKQUUAMF-QGZVFWFLSA-N 1 3 335.467 2.715 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(Cl)cc1 ZINC001133897081 1286077384 /nfs/dbraw/zinc/07/73/84/1286077384.db2.gz YEZXHSQKZLXLEK-CQSZACIVSA-N 1 3 337.895 2.839 20 0 EFADHO COCCC[NH+]1CCC(N2CCC3(COc4ccccc43)CC2)CC1 ZINC001172253834 1286084740 /nfs/dbraw/zinc/08/47/40/1286084740.db2.gz CXOZOMPMYWXPRR-UHFFFAOYSA-N 1 3 344.499 2.914 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1cccc(C(F)F)c1)CC(C)(C)C ZINC001133906483 1286089875 /nfs/dbraw/zinc/08/98/75/1286089875.db2.gz XQTXENGUPKTLIA-UHFFFAOYSA-N 1 3 341.446 2.808 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001133908433 1286092294 /nfs/dbraw/zinc/09/22/94/1286092294.db2.gz QVXGVHKTNNPPAE-DLBZAZTESA-N 1 3 325.541 2.887 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001133908436 1286092411 /nfs/dbraw/zinc/09/24/11/1286092411.db2.gz QVXGVHKTNNPPAE-SJORKVTESA-N 1 3 325.541 2.887 20 0 EFADHO CN1CCN(Cc2ccccc2C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170719036 1286245562 /nfs/dbraw/zinc/24/55/62/1286245562.db2.gz BVYGPEGBDZLWHI-ACDBMABISA-N 1 3 327.516 2.958 20 0 EFADHO Clc1ccc2c(c1)C[C@@H](N[C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001172717874 1286246097 /nfs/dbraw/zinc/24/60/97/1286246097.db2.gz UGABNSLDXOAWPH-MOPGFXCFSA-N 1 3 334.891 2.898 20 0 EFADHO Clc1ccc2c(c1)C[C@@H](N[C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001172717874 1286246103 /nfs/dbraw/zinc/24/61/03/1286246103.db2.gz UGABNSLDXOAWPH-MOPGFXCFSA-N 1 3 334.891 2.898 20 0 EFADHO CN1CC[NH+](C2CCN([C@@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172718370 1286246779 /nfs/dbraw/zinc/24/67/79/1286246779.db2.gz KQVGAXSUTNMJRV-LJQANCHMSA-N 1 3 333.907 2.519 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172831705 1286292579 /nfs/dbraw/zinc/29/25/79/1286292579.db2.gz PXDUDQRZEWLPFB-LJQANCHMSA-N 1 3 332.488 2.669 20 0 EFADHO C1CN([C@H]2CC[C@H]([NH2+]C3CCC4(CCOCC4)CC3)CC2)CCO1 ZINC001173043666 1286391900 /nfs/dbraw/zinc/39/19/00/1286391900.db2.gz FLUIAUOUXFBGAT-UAPYVXQJSA-N 1 3 336.520 2.959 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(Cc3ccccn3)CC2)CC1 ZINC001173108798 1286414254 /nfs/dbraw/zinc/41/42/54/1286414254.db2.gz BKKKVIGWXNDSLX-UHFFFAOYSA-N 1 3 330.520 2.852 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC001173111299 1286415064 /nfs/dbraw/zinc/41/50/64/1286415064.db2.gz BCSNHWJDEZAFRL-UHFFFAOYSA-N 1 3 345.535 2.868 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3cc(OC)ccn3)CC2)CC1 ZINC001173114175 1286416404 /nfs/dbraw/zinc/41/64/04/1286416404.db2.gz YMPBWXRMQNPFEF-UHFFFAOYSA-N 1 3 346.519 2.865 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173252412 1286489446 /nfs/dbraw/zinc/48/94/46/1286489446.db2.gz LGLXGUCMGSDRBD-INIZCTEOSA-N 1 3 332.488 2.927 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173252412 1286489448 /nfs/dbraw/zinc/48/94/48/1286489448.db2.gz LGLXGUCMGSDRBD-INIZCTEOSA-N 1 3 332.488 2.927 20 0 EFADHO CCSC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001173304601 1286515176 /nfs/dbraw/zinc/51/51/76/1286515176.db2.gz QARBUKWEIAEWRY-BPQIPLTHSA-N 1 3 326.550 2.808 20 0 EFADHO CCSC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001173304601 1286515183 /nfs/dbraw/zinc/51/51/83/1286515183.db2.gz QARBUKWEIAEWRY-BPQIPLTHSA-N 1 3 326.550 2.808 20 0 EFADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@H](C)CCCCC(=O)OC)CC1 ZINC001173458830 1286612098 /nfs/dbraw/zinc/61/20/98/1286612098.db2.gz ZOQSOMANXFZMDF-SJLPKXTDSA-N 1 3 340.508 2.684 20 0 EFADHO COCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368794 1286639534 /nfs/dbraw/zinc/63/95/34/1286639534.db2.gz AKIPBWSBTLMTHN-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)OCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369581 1286641356 /nfs/dbraw/zinc/64/13/56/1286641356.db2.gz OMKOHXHYYCZOET-SJORKVTESA-N 1 3 341.540 2.549 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([NH+]1CCN(c3ccncc3)CC1)CC2 ZINC001173605544 1286713285 /nfs/dbraw/zinc/71/32/85/1286713285.db2.gz CQKKYRCVEKCBPQ-KGXSXCIVSA-N 1 3 343.471 2.716 20 0 EFADHO COCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170751278 1286732170 /nfs/dbraw/zinc/73/21/70/1286732170.db2.gz PYCNLURCGGFMFN-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1 ZINC001134583763 1286916446 /nfs/dbraw/zinc/91/64/46/1286916446.db2.gz NYJHHLDKRSSWNL-SJORKVTESA-N 1 3 331.504 2.586 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001134583049 1286916950 /nfs/dbraw/zinc/91/69/50/1286916950.db2.gz DKJDBHQQNCISSJ-KGLIPLIRSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583702 1286917496 /nfs/dbraw/zinc/91/74/96/1286917496.db2.gz NLYVURHOGAHOLC-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001134583051 1286917702 /nfs/dbraw/zinc/91/77/02/1286917702.db2.gz DKJDBHQQNCISSJ-ZIAGYGMSSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583997 1286918199 /nfs/dbraw/zinc/91/81/99/1286918199.db2.gz PYYXXAGSBLLYEZ-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001134584542 1286918436 /nfs/dbraw/zinc/91/84/36/1286918436.db2.gz UZTVBFULYXKAHL-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001134584179 1286919217 /nfs/dbraw/zinc/91/92/17/1286919217.db2.gz RKIKJLOMTVHWMA-LSDHHAIUSA-N 1 3 337.533 2.648 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583996 1286919372 /nfs/dbraw/zinc/91/93/72/1286919372.db2.gz PYYXXAGSBLLYEZ-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001134583979 1286919469 /nfs/dbraw/zinc/91/94/69/1286919469.db2.gz POEKRZPEMOZJOD-VXGBXAGGSA-N 1 3 336.307 2.663 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001134585107 1286920563 /nfs/dbraw/zinc/92/05/63/1286920563.db2.gz ZULCOGWVLHDDAQ-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001134585106 1286920712 /nfs/dbraw/zinc/92/07/12/1286920712.db2.gz ZULCOGWVLHDDAQ-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611871 1286948828 /nfs/dbraw/zinc/94/88/28/1286948828.db2.gz CXXZVXCLJFNVKW-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001134612353 1286949051 /nfs/dbraw/zinc/94/90/51/1286949051.db2.gz LOBFQDQGDYPLPT-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001134613684 1286950754 /nfs/dbraw/zinc/95/07/54/1286950754.db2.gz XLGRIHJIDSQXGC-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO COc1cc(Nc2ccc3nccn3c2)ccc1N1CC[NH+](C)CC1 ZINC001174279974 1286955926 /nfs/dbraw/zinc/95/59/26/1286955926.db2.gz LZAQDSHUVJDTAR-UHFFFAOYSA-N 1 3 337.427 2.838 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001134607485 1286966477 /nfs/dbraw/zinc/96/64/77/1286966477.db2.gz IDEJIEPSOXVUKR-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001174683197 1287111892 /nfs/dbraw/zinc/11/18/92/1287111892.db2.gz PKFADPAGVLAGIK-INIZCTEOSA-N 1 3 346.862 2.697 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001174690190 1287114866 /nfs/dbraw/zinc/11/48/66/1287114866.db2.gz CHDCZUJCZWEFSI-UHFFFAOYSA-N 1 3 348.878 2.643 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769189 1287118854 /nfs/dbraw/zinc/11/88/54/1287118854.db2.gz FNXPPCIIBGZYKI-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1cccc(F)c1 ZINC001134762537 1287159654 /nfs/dbraw/zinc/15/96/54/1287159654.db2.gz BBQAOTYUMVMYCC-IBGZPJMESA-N 1 3 349.494 2.727 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766620 1287163237 /nfs/dbraw/zinc/16/32/37/1287163237.db2.gz JRSJANWSSLFELU-SFHVURJKSA-N 1 3 335.467 2.603 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134767477 1287163301 /nfs/dbraw/zinc/16/33/01/1287163301.db2.gz YLXGTBCDCKEIKA-VQIMIIECSA-N 1 3 347.503 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001134766176 1287163488 /nfs/dbraw/zinc/16/34/88/1287163488.db2.gz DSKKKEWAEZLIKK-RTBURBONSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134766605 1287163598 /nfs/dbraw/zinc/16/35/98/1287163598.db2.gz JIRCVYAKNWKIGZ-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO COc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134767475 1287164443 /nfs/dbraw/zinc/16/44/43/1287164443.db2.gz YLXGTBCDCKEIKA-LPHOPBHVSA-N 1 3 347.503 2.725 20 0 EFADHO Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c(C)s1 ZINC001134768278 1287166113 /nfs/dbraw/zinc/16/61/13/1287166113.db2.gz AOWTZIKOHYBMRL-QGZVFWFLSA-N 1 3 337.533 2.834 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001134773077 1287170182 /nfs/dbraw/zinc/17/01/82/1287170182.db2.gz KNUIALITBMUSPJ-KBPBESRZSA-N 1 3 325.522 2.851 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC001134773172 1287171429 /nfs/dbraw/zinc/17/14/29/1287171429.db2.gz MVKGKIGDAJIYPG-JKSUJKDBSA-N 1 3 349.519 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001134773483 1287171504 /nfs/dbraw/zinc/17/15/04/1287171504.db2.gz PMSFFNNYOWNEJI-HUUCEWRRSA-N 1 3 339.549 2.894 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001134773669 1287172071 /nfs/dbraw/zinc/17/20/71/1287172071.db2.gz QFUKEAHHCSVMNL-RYUDHWBXSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC001134774418 1287172434 /nfs/dbraw/zinc/17/24/34/1287172434.db2.gz YENYMXLGQGAOEH-LSDHHAIUSA-N 1 3 337.483 2.929 20 0 EFADHO C[C@@H](NCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001134754479 1287172676 /nfs/dbraw/zinc/17/26/76/1287172676.db2.gz PLZLIEWGBVWSTB-HZPDHXFCSA-N 1 3 335.467 2.857 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOCCC(C)C ZINC001134774423 1287172754 /nfs/dbraw/zinc/17/27/54/1287172754.db2.gz YFVBPHQOIUNMQX-IRXDYDNUSA-N 1 3 343.556 2.652 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114483636 1287196320 /nfs/dbraw/zinc/19/63/20/1287196320.db2.gz KILUKJHFUFIJCN-BGTYHANMSA-N 1 3 329.488 2.524 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114483636 1287196322 /nfs/dbraw/zinc/19/63/22/1287196322.db2.gz KILUKJHFUFIJCN-BGTYHANMSA-N 1 3 329.488 2.524 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483661 1287196521 /nfs/dbraw/zinc/19/65/21/1287196521.db2.gz KRHDVDIFZZBPFX-HCXYKTFWSA-N 1 3 343.515 2.914 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483661 1287196523 /nfs/dbraw/zinc/19/65/23/1287196523.db2.gz KRHDVDIFZZBPFX-HCXYKTFWSA-N 1 3 343.515 2.914 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)c1ccccc1F ZINC001179435785 1289139965 /nfs/dbraw/zinc/13/99/65/1289139965.db2.gz XCWNKXDJJHJTHU-VKJFTORMSA-N 1 3 347.478 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001176286475 1287924513 /nfs/dbraw/zinc/92/45/13/1287924513.db2.gz WMPIDWVZISJUOT-ODUNQGDFSA-N 1 3 338.323 2.912 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1nc2ccccc2o1 ZINC001135308179 1287924694 /nfs/dbraw/zinc/92/46/94/1287924694.db2.gz OZJLCTFJBRJNPM-CABCVRRESA-N 1 3 346.475 2.543 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176350452 1287959946 /nfs/dbraw/zinc/95/99/46/1287959946.db2.gz DWZAFGAZQWCDJE-CQSZACIVSA-N 1 3 346.450 2.865 20 0 EFADHO CCCC[NH2+]CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206275209 1288016767 /nfs/dbraw/zinc/01/67/67/1288016767.db2.gz PXUATOWRASQTBN-LJQANCHMSA-N 1 3 341.515 2.827 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001135440225 1288023658 /nfs/dbraw/zinc/02/36/58/1288023658.db2.gz IGOKJYLXCMXYBR-QGZVFWFLSA-N 1 3 349.519 2.974 20 0 EFADHO CN1CCc2ccc(Nc3cnn(CC[NH+]4CCCC4)c3)cc2C1 ZINC001176562857 1288038886 /nfs/dbraw/zinc/03/88/86/1288038886.db2.gz KEPFUINELKQDSX-UHFFFAOYSA-N 1 3 325.460 2.710 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475923 1288047348 /nfs/dbraw/zinc/04/73/48/1288047348.db2.gz HBEAFODQGZZBIZ-KBPBESRZSA-N 1 3 345.478 2.637 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001135523230 1288060972 /nfs/dbraw/zinc/06/09/72/1288060972.db2.gz CDSYETHHZSFFJT-GFCCVEGCSA-N 1 3 329.847 2.588 20 0 EFADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176738741 1288089548 /nfs/dbraw/zinc/08/95/48/1288089548.db2.gz SNGGNKLARLIWQK-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739194 1288090457 /nfs/dbraw/zinc/09/04/57/1288090457.db2.gz VFNBNTAEPULCBU-IRXDYDNUSA-N 1 3 349.519 2.661 20 0 EFADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)c1ccccc1CN(C)C ZINC001176746902 1288093717 /nfs/dbraw/zinc/09/37/17/1288093717.db2.gz PAIUEFNOLLRRDB-MRXNPFEDSA-N 1 3 337.483 2.986 20 0 EFADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746591 1288093823 /nfs/dbraw/zinc/09/38/23/1288093823.db2.gz JNZHYPADRHRTAI-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176752995 1288119307 /nfs/dbraw/zinc/11/93/07/1288119307.db2.gz BYUAGFZZFGVBAJ-GOSISDBHSA-N 1 3 333.520 2.834 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC2CC(F)(F)C2)c1 ZINC001176889786 1288164238 /nfs/dbraw/zinc/16/42/38/1288164238.db2.gz CUZGPDNLVYIMMD-UHFFFAOYSA-N 1 3 339.430 2.503 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001176947968 1288190706 /nfs/dbraw/zinc/19/07/06/1288190706.db2.gz ALULGQOJRQGRCL-UHFFFAOYSA-N 1 3 329.488 2.958 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001176948013 1288190903 /nfs/dbraw/zinc/19/09/03/1288190903.db2.gz CDUZYXHDMJELQC-UHFFFAOYSA-N 1 3 339.483 2.700 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001176948222 1288191149 /nfs/dbraw/zinc/19/11/49/1288191149.db2.gz LELNXLZLXHUGOR-UHFFFAOYSA-N 1 3 344.286 2.777 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC001176971589 1288199634 /nfs/dbraw/zinc/19/96/34/1288199634.db2.gz DUEZRVJXENFRKQ-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001176972333 1288201154 /nfs/dbraw/zinc/20/11/54/1288201154.db2.gz WUIBVAUETJGVDM-GQCTYLIASA-N 1 3 337.895 2.789 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001176972187 1288201360 /nfs/dbraw/zinc/20/13/60/1288201360.db2.gz PZRZNDZQLUNZIY-QGZVFWFLSA-N 1 3 337.895 2.763 20 0 EFADHO Cc1ccc(OCCC[NH2+]CCCNC(=O)CN(C)C(C)C)cc1C ZINC001176985972 1288207126 /nfs/dbraw/zinc/20/71/26/1288207126.db2.gz AERPSKQJYBQUEY-UHFFFAOYSA-N 1 3 349.519 2.508 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001176986279 1288207649 /nfs/dbraw/zinc/20/76/49/1288207649.db2.gz JIGZKBDVCUGKHI-UHFFFAOYSA-N 1 3 345.409 2.642 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001176986861 1288208087 /nfs/dbraw/zinc/20/80/87/1288208087.db2.gz XGGFGFXKPLGOHF-ZDUSSCGKSA-N 1 3 343.874 2.976 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001176986998 1288208159 /nfs/dbraw/zinc/20/81/59/1288208159.db2.gz YYBWCDOHOSOPAM-SFHVURJKSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001176986155 1288208316 /nfs/dbraw/zinc/20/83/16/1288208316.db2.gz GHSCTGRWTSLSSW-QGZVFWFLSA-N 1 3 337.533 2.651 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001176992205 1288217785 /nfs/dbraw/zinc/21/77/85/1288217785.db2.gz JMTQHOSHFBLJDB-LJQANCHMSA-N 1 3 342.487 2.638 20 0 EFADHO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176992233 1288218555 /nfs/dbraw/zinc/21/85/55/1288218555.db2.gz KBVMHMLNXGRXHZ-HXUWFJFHSA-N 1 3 345.531 2.762 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001176992358 1288218892 /nfs/dbraw/zinc/21/88/92/1288218892.db2.gz NBYBLMLAIRMIOB-QAPCUYQASA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCOC ZINC001135691754 1288269171 /nfs/dbraw/zinc/26/91/71/1288269171.db2.gz ZIAMFIDVQHRPJY-MSOLQXFVSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C ZINC001179534277 1289168022 /nfs/dbraw/zinc/16/80/22/1289168022.db2.gz DYUKXNGPNYTYOM-BJLQDIEVSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC(C)C1)N(C)C ZINC001179498989 1289170660 /nfs/dbraw/zinc/17/06/60/1289170660.db2.gz LFLROFOWRRIFIN-DAWZGUTISA-N 1 3 325.541 2.885 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135743519 1288324385 /nfs/dbraw/zinc/32/43/85/1288324385.db2.gz LRQBOXHPVRFRQE-CVEARBPZSA-N 1 3 337.483 2.871 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743671 1288324423 /nfs/dbraw/zinc/32/44/23/1288324423.db2.gz NZCVPBYMPWELPD-DLBZAZTESA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135743205 1288324490 /nfs/dbraw/zinc/32/44/90/1288324490.db2.gz GQJLDSIJFVTKSL-IRXDYDNUSA-N 1 3 348.535 2.920 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135743973 1288325001 /nfs/dbraw/zinc/32/50/01/1288325001.db2.gz SNJBTKATZYNPAR-IRXDYDNUSA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135743838 1288325304 /nfs/dbraw/zinc/32/53/04/1288325304.db2.gz QIRWICSREUJRTO-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135744063 1288325745 /nfs/dbraw/zinc/32/57/45/1288325745.db2.gz VBAXFLQHJZFFIO-DLBZAZTESA-N 1 3 349.519 2.548 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499243 1289171465 /nfs/dbraw/zinc/17/14/65/1289171465.db2.gz QXPNHXNZAKFLAJ-LJQANCHMSA-N 1 3 348.535 2.742 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001135747771 1288328849 /nfs/dbraw/zinc/32/88/49/1288328849.db2.gz UWGNWXZTPFJYHT-HZPDHXFCSA-N 1 3 339.549 2.895 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499219 1289171965 /nfs/dbraw/zinc/17/19/65/1289171965.db2.gz PPHCKEHLRYMGBB-GOSISDBHSA-N 1 3 343.556 2.656 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001179609160 1289198157 /nfs/dbraw/zinc/19/81/57/1289198157.db2.gz LAPRMILPZAYMLT-CMPYXILNSA-N 1 3 338.323 2.912 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177317001 1288385696 /nfs/dbraw/zinc/38/56/96/1288385696.db2.gz MANRQZXOZVNSSO-SFHVURJKSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)N(C)C ZINC001177348364 1288412990 /nfs/dbraw/zinc/41/29/90/1288412990.db2.gz FZJWTEPPULFNKK-QGZVFWFLSA-N 1 3 329.504 2.685 20 0 EFADHO CC[NH2+]CCCN(CC1CCCC1)C(=O)CN(C)CC(C)(C)C ZINC001177416211 1288424245 /nfs/dbraw/zinc/42/42/45/1288424245.db2.gz VXWUXVCPGDDXTF-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001135857091 1288511003 /nfs/dbraw/zinc/51/10/03/1288511003.db2.gz CPLPRBMKOBQCJV-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001135857091 1288511009 /nfs/dbraw/zinc/51/10/09/1288511009.db2.gz CPLPRBMKOBQCJV-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001135857093 1288511159 /nfs/dbraw/zinc/51/11/59/1288511159.db2.gz CPLPRBMKOBQCJV-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1c(F)cccc1F ZINC001135857093 1288511168 /nfs/dbraw/zinc/51/11/68/1288511168.db2.gz CPLPRBMKOBQCJV-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001135883041 1288550109 /nfs/dbraw/zinc/55/01/09/1288550109.db2.gz XZVFMGQCSAXQBE-GJZGRUSLSA-N 1 3 346.475 2.543 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001135883041 1288550112 /nfs/dbraw/zinc/55/01/12/1288550112.db2.gz XZVFMGQCSAXQBE-GJZGRUSLSA-N 1 3 346.475 2.543 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)NC/C(Cl)=C/Cl ZINC001135965806 1288689294 /nfs/dbraw/zinc/68/92/94/1288689294.db2.gz FUAHWVSIKXTEBT-IJEMZBSNSA-N 1 3 338.323 2.910 20 0 EFADHO Cc1csc(CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)n1 ZINC001135961278 1288702046 /nfs/dbraw/zinc/70/20/46/1288702046.db2.gz OBPDCWKVFFINBD-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135979823 1288704426 /nfs/dbraw/zinc/70/44/26/1288704426.db2.gz JGBNBPXRIKWHIW-IRXDYDNUSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135979906 1288705504 /nfs/dbraw/zinc/70/55/04/1288705504.db2.gz KCIUXIVLYMWTHU-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135981103 1288706443 /nfs/dbraw/zinc/70/64/43/1288706443.db2.gz XZXWAEMSVFGUTF-IAGOWNOFSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001135981065 1288706848 /nfs/dbraw/zinc/70/68/48/1288706848.db2.gz XBOINFHPEDMCOI-LSDHHAIUSA-N 1 3 325.522 2.505 20 0 EFADHO COCCCCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178692781 1288873052 /nfs/dbraw/zinc/87/30/52/1288873052.db2.gz ARUNIBCOJBPSOA-UHFFFAOYSA-N 1 3 341.540 2.554 20 0 EFADHO COCCCCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178755176 1288893930 /nfs/dbraw/zinc/89/39/30/1288893930.db2.gz NCWSAMWNWYLOFV-SFHVURJKSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759971 1288895027 /nfs/dbraw/zinc/89/50/27/1288895027.db2.gz UAAZTVLGHVKBGT-IBGZPJMESA-N 1 3 348.535 2.742 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ncccc1C ZINC001178854213 1288944111 /nfs/dbraw/zinc/94/41/11/1288944111.db2.gz ZBGWARCCAGIYJN-UHFFFAOYSA-N 1 3 348.535 2.887 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)N(C)C ZINC001178815733 1288945223 /nfs/dbraw/zinc/94/52/23/1288945223.db2.gz LMFQJUVAJYLAFB-MRXNPFEDSA-N 1 3 325.522 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001165810188 1312685628 /nfs/dbraw/zinc/68/56/28/1312685628.db2.gz YXRUPWKOPUSZCM-UHFFFAOYSA-N 1 3 349.494 2.932 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232368520 1312688528 /nfs/dbraw/zinc/68/85/28/1312688528.db2.gz ZYLIZKXEIQDSRM-UHFFFAOYSA-N 1 3 337.471 2.547 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001232368520 1312688530 /nfs/dbraw/zinc/68/85/30/1312688530.db2.gz ZYLIZKXEIQDSRM-UHFFFAOYSA-N 1 3 337.471 2.547 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)[C@@H]2C)C1 ZINC001179539391 1289183338 /nfs/dbraw/zinc/18/33/38/1289183338.db2.gz WUARULZABSGUNF-BJLQDIEVSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CCc2ccccc2)C1 ZINC001179586846 1289189971 /nfs/dbraw/zinc/18/99/71/1289189971.db2.gz UFDHSPCYHUKKLI-LJQANCHMSA-N 1 3 345.531 2.837 20 0 EFADHO CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179590572 1289190974 /nfs/dbraw/zinc/19/09/74/1289190974.db2.gz JAKVFMJBSLGCTP-SFHVURJKSA-N 1 3 329.504 2.875 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592975 1289192635 /nfs/dbraw/zinc/19/26/35/1289192635.db2.gz SKIADBTZPDMUMI-MRXNPFEDSA-N 1 3 331.520 2.979 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001179609007 1289197884 /nfs/dbraw/zinc/19/78/84/1289197884.db2.gz BNJAXZCRUPPQNZ-SFHVURJKSA-N 1 3 337.483 2.932 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580975 1289201215 /nfs/dbraw/zinc/20/12/15/1289201215.db2.gz YEITYYPQICUMPF-GOSISDBHSA-N 1 3 346.519 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CCCCCF)C1 ZINC001179585233 1289203584 /nfs/dbraw/zinc/20/35/84/1289203584.db2.gz DRKQQAFGKMAHQT-KRWDZBQOSA-N 1 3 329.504 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179744330 1289255262 /nfs/dbraw/zinc/25/52/62/1289255262.db2.gz LQNVCUATTJFYBF-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC001179763670 1289262527 /nfs/dbraw/zinc/26/25/27/1289262527.db2.gz OEXGYXRLTVCQNH-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001179846329 1289283777 /nfs/dbraw/zinc/28/37/77/1289283777.db2.gz BTSZVYLOLBWVIA-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@@H]1C ZINC001179856648 1289286777 /nfs/dbraw/zinc/28/67/77/1289286777.db2.gz FNPIDYBBGQEKQZ-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@@H]1C ZINC001179856648 1289286783 /nfs/dbraw/zinc/28/67/83/1289286783.db2.gz FNPIDYBBGQEKQZ-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H]1C ZINC001179982575 1289350171 /nfs/dbraw/zinc/35/01/71/1289350171.db2.gz ABKPEEBRYAHVSK-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179982951 1289351126 /nfs/dbraw/zinc/35/11/26/1289351126.db2.gz IJQCOFCWTIVXQD-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H]1C ZINC001179987312 1289353850 /nfs/dbraw/zinc/35/38/50/1289353850.db2.gz PQAHTQFUEMXAOO-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC001179987323 1289354724 /nfs/dbraw/zinc/35/47/24/1289354724.db2.gz PVDFDGAXAJHSPS-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCCCCNCc1nccs1 ZINC001180095654 1289400106 /nfs/dbraw/zinc/40/01/06/1289400106.db2.gz KEXMQTSSTSQILY-UHFFFAOYSA-N 1 3 340.537 2.641 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCCc2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001180131437 1289413688 /nfs/dbraw/zinc/41/36/88/1289413688.db2.gz DUEIIIDRLZNVHX-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC001180135523 1289415497 /nfs/dbraw/zinc/41/54/97/1289415497.db2.gz HARJBONTLNVFAB-ICSRJNTNSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ncc(C)s1 ZINC001180123504 1289426154 /nfs/dbraw/zinc/42/61/54/1289426154.db2.gz GAHGQPSSPXXNRL-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001180158017 1289436781 /nfs/dbraw/zinc/43/67/81/1289436781.db2.gz CMTYZHXJZJMBRD-UHFFFAOYSA-N 1 3 328.460 2.727 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180223048 1289449382 /nfs/dbraw/zinc/44/93/82/1289449382.db2.gz YGFLYRLSQQIVEE-YJBOKZPZSA-N 1 3 335.467 2.553 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001180221942 1289449730 /nfs/dbraw/zinc/44/97/30/1289449730.db2.gz HCPDSGVLDXUVJF-JXFKEZNVSA-N 1 3 343.515 2.595 20 0 EFADHO CN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000823840823 1289466511 /nfs/dbraw/zinc/46/65/11/1289466511.db2.gz BNRDQWKPGQNGPV-QGZVFWFLSA-N 1 3 341.455 2.803 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCCCCC[NH2+]CCCF)c1 ZINC001180357637 1289495005 /nfs/dbraw/zinc/49/50/05/1289495005.db2.gz YRMSUNBWMJGMSN-UHFFFAOYSA-N 1 3 337.483 2.988 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001180391299 1289506822 /nfs/dbraw/zinc/50/68/22/1289506822.db2.gz SAOGLJBLRGDJNS-LDLYASANSA-N 1 3 329.488 2.640 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001180391299 1289506828 /nfs/dbraw/zinc/50/68/28/1289506828.db2.gz SAOGLJBLRGDJNS-LDLYASANSA-N 1 3 329.488 2.640 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001180389152 1289507389 /nfs/dbraw/zinc/50/73/89/1289507389.db2.gz GGHKVISSYJGNKP-PMACEKPBSA-N 1 3 343.515 2.699 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001180389152 1289507394 /nfs/dbraw/zinc/50/73/94/1289507394.db2.gz GGHKVISSYJGNKP-PMACEKPBSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180369622 1289516627 /nfs/dbraw/zinc/51/66/27/1289516627.db2.gz OOJKHVUQLHQWPZ-UHFFFAOYSA-N 1 3 333.467 2.638 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004752 1312717121 /nfs/dbraw/zinc/71/71/21/1312717121.db2.gz WIASGCKSFPBSKW-QGZVFWFLSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004567 1312717317 /nfs/dbraw/zinc/71/73/17/1312717317.db2.gz RWABIRURRFKWNT-LJQANCHMSA-N 1 3 348.535 2.696 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001166010289 1312717621 /nfs/dbraw/zinc/71/76/21/1312717621.db2.gz NHIXHLJUBZQHHJ-BNOPAZPUSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F)N(C)C ZINC001166010675 1312717745 /nfs/dbraw/zinc/71/77/45/1312717745.db2.gz RRCSPGOKPUODAM-CXAGYDPISA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001166010879 1312717779 /nfs/dbraw/zinc/71/77/79/1312717779.db2.gz SZJJBBQFESFYCJ-OXJNMPFZSA-N 1 3 345.531 2.918 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001016328593 1312723418 /nfs/dbraw/zinc/72/34/18/1312723418.db2.gz FJPIVQOCGMDQAW-LEOMRAHMSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001016328593 1312723421 /nfs/dbraw/zinc/72/34/21/1312723421.db2.gz FJPIVQOCGMDQAW-LEOMRAHMSA-N 1 3 329.488 2.598 20 0 EFADHO CCN(Cc1cccc(Br)c1N)C1CC[NH+](C)CC1 ZINC001232525191 1312723570 /nfs/dbraw/zinc/72/35/70/1312723570.db2.gz IBNOEGQYIUGADD-UHFFFAOYSA-N 1 3 326.282 2.947 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000873297670 1289711297 /nfs/dbraw/zinc/71/12/97/1289711297.db2.gz YWCHXNNUTQOKLK-SJCJKPOMSA-N 1 3 333.863 2.756 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181440510 1289807815 /nfs/dbraw/zinc/80/78/15/1289807815.db2.gz IVFPAFYUJNJMRB-IMFGXOCKSA-N 1 3 335.536 2.734 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001181652135 1289884803 /nfs/dbraw/zinc/88/48/03/1289884803.db2.gz JTAHNZXCCVXWNG-SJLPKXTDSA-N 1 3 349.906 2.557 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181670993 1289896752 /nfs/dbraw/zinc/89/67/52/1289896752.db2.gz GORKCJHYMIUQIU-IMFGXOCKSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001181801338 1289944314 /nfs/dbraw/zinc/94/43/14/1289944314.db2.gz WQKHKVJVDVFYBD-SLYNCCJLSA-N 1 3 345.531 2.847 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941241 1290006592 /nfs/dbraw/zinc/00/65/92/1290006592.db2.gz DAUDRQNLPVAOPD-FRQCXROJSA-N 1 3 325.541 2.837 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001181999869 1290033108 /nfs/dbraw/zinc/03/31/08/1290033108.db2.gz AGGKUFQBQRIBFY-AZRLCKCBSA-N 1 3 333.520 2.617 20 0 EFADHO CCCCN(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001182234292 1290115810 /nfs/dbraw/zinc/11/58/10/1290115810.db2.gz CVKDGHIGGPYZMP-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CCCCN(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001182234292 1290115814 /nfs/dbraw/zinc/11/58/14/1290115814.db2.gz CVKDGHIGGPYZMP-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CCCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623531 1290226680 /nfs/dbraw/zinc/22/66/80/1290226680.db2.gz OUIHRLIITNZDPE-VQIMIIECSA-N 1 3 325.541 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001182624020 1290228107 /nfs/dbraw/zinc/22/81/07/1290228107.db2.gz YXPXOCXGBQBADV-OXQOHEQNSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001182630493 1290228555 /nfs/dbraw/zinc/22/85/55/1290228555.db2.gz XUSZCIJPTLBMMS-ZHALLVOQSA-N 1 3 341.515 2.542 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637495 1290229882 /nfs/dbraw/zinc/22/98/82/1290229882.db2.gz HBGNFDSINZFFJC-HHXXYDBFSA-N 1 3 325.541 2.837 20 0 EFADHO COC(=O)c1cccc2c(C[NH+]3CCC(N4CCC4)CC3)c[nH]c21 ZINC001232713387 1312767043 /nfs/dbraw/zinc/76/70/43/1312767043.db2.gz JWDBLGDWOGQCAX-UHFFFAOYSA-N 1 3 327.428 2.625 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cccc4ncsc43)CC2)CC1 ZINC001232738075 1312769520 /nfs/dbraw/zinc/76/95/20/1312769520.db2.gz QUBKZLHUJVNESS-UHFFFAOYSA-N 1 3 344.528 2.756 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001182917389 1290277818 /nfs/dbraw/zinc/27/78/18/1290277818.db2.gz BWRSBRCEGQLKOJ-IEBWSBKVSA-N 1 3 343.531 2.932 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182933831 1290282051 /nfs/dbraw/zinc/28/20/51/1290282051.db2.gz OUACWOMQRNQUHI-VQIMIIECSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001182973228 1290287849 /nfs/dbraw/zinc/28/78/49/1290287849.db2.gz BYAGLXCCWLCWNZ-MRECJMOMSA-N 1 3 347.478 2.570 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001183240586 1290315522 /nfs/dbraw/zinc/31/55/22/1290315522.db2.gz LKNVTSKFFBRAHK-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001037130718 1290342446 /nfs/dbraw/zinc/34/24/46/1290342446.db2.gz ISARSSIXYSZIIM-ROUUACIJSA-N 1 3 340.471 2.644 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001183517138 1290354107 /nfs/dbraw/zinc/35/41/07/1290354107.db2.gz QUNMUOKDPHIXQD-QWFCFKBJSA-N 1 3 335.536 2.901 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000874829406 1290378041 /nfs/dbraw/zinc/37/80/41/1290378041.db2.gz LNXCYHVNDZKDCZ-MOPGFXCFSA-N 1 3 327.472 2.591 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001184714773 1290498384 /nfs/dbraw/zinc/49/83/84/1290498384.db2.gz ZSLNHPADKUVENA-SJORKVTESA-N 1 3 343.531 2.931 20 0 EFADHO c1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cc2c1 ZINC000903507248 1312787106 /nfs/dbraw/zinc/78/71/06/1312787106.db2.gz SUQONEHSJDBFNC-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO c1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)cc2c1 ZINC000903507248 1312787110 /nfs/dbraw/zinc/78/71/10/1312787110.db2.gz SUQONEHSJDBFNC-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO c1ccc2ncc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)cc2c1 ZINC000903507248 1312787111 /nfs/dbraw/zinc/78/71/11/1312787111.db2.gz SUQONEHSJDBFNC-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO CC(C)Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903509371 1312790628 /nfs/dbraw/zinc/79/06/28/1312790628.db2.gz GNGKEUCXRWQPRW-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO CC(C)Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903509371 1312790631 /nfs/dbraw/zinc/79/06/31/1312790631.db2.gz GNGKEUCXRWQPRW-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO O[C@H](CN1CCCC1)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795575562 1290554129 /nfs/dbraw/zinc/55/41/29/1290554129.db2.gz WTUYRJMQHJWOQD-WBVHZDCISA-N 1 3 340.920 2.963 20 0 EFADHO O[C@H](CN1CCCC1)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795575562 1290554131 /nfs/dbraw/zinc/55/41/31/1290554131.db2.gz WTUYRJMQHJWOQD-WBVHZDCISA-N 1 3 340.920 2.963 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]C/C=C/Cl ZINC001185168055 1290607487 /nfs/dbraw/zinc/60/74/87/1290607487.db2.gz FTSJYKTUXDQPMM-YFWHOBGESA-N 1 3 341.927 2.545 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185171841 1290608644 /nfs/dbraw/zinc/60/86/44/1290608644.db2.gz ZRUACOIJXNGUTN-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185171251 1290609183 /nfs/dbraw/zinc/60/91/83/1290609183.db2.gz VADCMMIIDZBZNB-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]C/C=C\Cl ZINC001185171463 1290609273 /nfs/dbraw/zinc/60/92/73/1290609273.db2.gz VZMQCMJUFUCVOK-ICFKLAHKSA-N 1 3 343.943 2.791 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037157640 1290637603 /nfs/dbraw/zinc/63/76/03/1290637603.db2.gz PHAZJYXCZXLUFY-JKSUJKDBSA-N 1 3 332.492 2.571 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001185360798 1290651730 /nfs/dbraw/zinc/65/17/30/1290651730.db2.gz PSWGEJHOBQBREY-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001037157932 1290668465 /nfs/dbraw/zinc/66/84/65/1290668465.db2.gz RFXICJKNQBZHHQ-QZTJIDSGSA-N 1 3 340.471 2.644 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185546183 1290717696 /nfs/dbraw/zinc/71/76/96/1290717696.db2.gz AOQMANLDPJZUFZ-MSOLQXFVSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001185547826 1290719150 /nfs/dbraw/zinc/71/91/50/1290719150.db2.gz JZHZBEVNGYLANU-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)[NH+]1CCC(CNc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001166622489 1312805041 /nfs/dbraw/zinc/80/50/41/1312805041.db2.gz ACBZCTVFZKLSNA-UHFFFAOYSA-N 1 3 330.520 2.971 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001185676081 1290747228 /nfs/dbraw/zinc/74/72/28/1290747228.db2.gz KPYKMGPKDZQKMI-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001166626263 1312805986 /nfs/dbraw/zinc/80/59/86/1312805986.db2.gz CWJYVZSQLSOSKO-QAPCUYQASA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001166626783 1312805995 /nfs/dbraw/zinc/80/59/95/1312805995.db2.gz JFZVIIWTZHQDPD-KRWDZBQOSA-N 1 3 339.483 2.920 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)N(C)C ZINC001185715655 1290750411 /nfs/dbraw/zinc/75/04/11/1290750411.db2.gz HHXPGNOHQMIENT-BWSGSBQUSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001166627417 1312806279 /nfs/dbraw/zinc/80/62/79/1312806279.db2.gz VGQOLRFXXKSYEP-HNAYVOBHSA-N 1 3 347.478 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC001185749917 1290762263 /nfs/dbraw/zinc/76/22/63/1290762263.db2.gz FPHMKVVNSXKXOJ-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001185749919 1290762334 /nfs/dbraw/zinc/76/23/34/1290762334.db2.gz FPHMKVVNSXKXOJ-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F ZINC001166634431 1312808720 /nfs/dbraw/zinc/80/87/20/1312808720.db2.gz RPXXGDALSWIBOD-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001166627272 1312806938 /nfs/dbraw/zinc/80/69/38/1312806938.db2.gz UKKZWTFYTOPXDU-OPGJMIRHSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC001166627018 1312807041 /nfs/dbraw/zinc/80/70/41/1312807041.db2.gz OBRURLXJCILBNI-DLBZAZTESA-N 1 3 343.515 2.817 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001166667854 1312815262 /nfs/dbraw/zinc/81/52/62/1312815262.db2.gz JQQPYDQJEVHGCI-QGZVFWFLSA-N 1 3 331.504 2.748 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](C[C@H]3CC=CCC3)CC2)C1=O ZINC001273515964 1290889485 /nfs/dbraw/zinc/88/94/85/1290889485.db2.gz QLQJJBPPORZTGI-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](C[C@H]3CC=CCC3)CC2)C1=O ZINC001273515964 1290889498 /nfs/dbraw/zinc/88/94/98/1290889498.db2.gz QLQJJBPPORZTGI-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001166677223 1312817139 /nfs/dbraw/zinc/81/71/39/1312817139.db2.gz HNCMXPRCVSVKER-CRAIPNDOSA-N 1 3 335.467 2.715 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c(Cl)c1 ZINC001166678143 1312817734 /nfs/dbraw/zinc/81/77/34/1312817734.db2.gz TYTNVMRPVKJGHV-HNNXBMFYSA-N 1 3 337.895 2.586 20 0 EFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C(F)(F)F)ccc1C ZINC001186280409 1290922935 /nfs/dbraw/zinc/92/29/35/1290922935.db2.gz QBVZKGPNYMIJPD-UHFFFAOYSA-N 1 3 344.381 2.691 20 0 EFADHO CCC(CC)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687525 1312820218 /nfs/dbraw/zinc/82/02/18/1312820218.db2.gz UTJHXEUDTDCSMK-SFHVURJKSA-N 1 3 329.504 2.731 20 0 EFADHO CC/C=C/CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687768 1312820278 /nfs/dbraw/zinc/82/02/78/1312820278.db2.gz YZTRGCUPPXXYKQ-DKFQHHCZSA-N 1 3 327.488 2.651 20 0 EFADHO CC(C)(C)CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687298 1312820477 /nfs/dbraw/zinc/82/04/77/1312820477.db2.gz MELYCBDGIVZWTC-SFHVURJKSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]Cc2ccsc2)C1 ZINC001166687726 1312820549 /nfs/dbraw/zinc/82/05/49/1312820549.db2.gz YASGFNCBGIYITC-QGZVFWFLSA-N 1 3 341.496 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001186487156 1290963207 /nfs/dbraw/zinc/96/32/07/1290963207.db2.gz HKKOKNIAQGUWJT-MRXNPFEDSA-N 1 3 345.512 2.934 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876775125 1291018926 /nfs/dbraw/zinc/01/89/26/1291018926.db2.gz OVHSGSXQTPMYNF-QGZVFWFLSA-N 1 3 339.524 2.909 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876775125 1291018935 /nfs/dbraw/zinc/01/89/35/1291018935.db2.gz OVHSGSXQTPMYNF-QGZVFWFLSA-N 1 3 339.524 2.909 20 0 EFADHO COc1cccc([C@H](N)C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000876777798 1291020672 /nfs/dbraw/zinc/02/06/72/1291020672.db2.gz TYOLSVVDUKEYRA-KRWDZBQOSA-N 1 3 331.391 2.534 20 0 EFADHO COc1cccc([C@@H](N)C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000876777799 1291021553 /nfs/dbraw/zinc/02/15/53/1291021553.db2.gz TYOLSVVDUKEYRA-QGZVFWFLSA-N 1 3 331.391 2.534 20 0 EFADHO CCc1ccc(CC[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001166736216 1312831423 /nfs/dbraw/zinc/83/14/23/1312831423.db2.gz DUSWWIYFEDTEJB-UHFFFAOYSA-N 1 3 345.531 2.619 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001166736578 1312831444 /nfs/dbraw/zinc/83/14/44/1312831444.db2.gz NYQIDMGNQRGJNQ-IBGZPJMESA-N 1 3 343.515 2.892 20 0 EFADHO CCc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001166736998 1312831865 /nfs/dbraw/zinc/83/18/65/1312831865.db2.gz XZEDEPZBKLLELG-UHFFFAOYSA-N 1 3 331.504 2.577 20 0 EFADHO CC1CCC(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001166744116 1312832620 /nfs/dbraw/zinc/83/26/20/1312832620.db2.gz IHXOMDXRBMLWAW-UHFFFAOYSA-N 1 3 325.541 2.887 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccccc1F ZINC001166744506 1312832960 /nfs/dbraw/zinc/83/29/60/1312832960.db2.gz XXGMAHDYYNERDI-OAHLLOKOSA-N 1 3 335.467 2.715 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1F ZINC001166744292 1312833479 /nfs/dbraw/zinc/83/34/79/1312833479.db2.gz PATPNABTRDONCN-UHFFFAOYSA-N 1 3 337.483 2.708 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000877094026 1291133977 /nfs/dbraw/zinc/13/39/77/1291133977.db2.gz FRIJWVAGFMHBMF-INIZCTEOSA-N 1 3 348.512 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001187321501 1291144183 /nfs/dbraw/zinc/14/41/83/1291144183.db2.gz AYRAJZYFDPZYAX-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001187322148 1291144752 /nfs/dbraw/zinc/14/47/52/1291144752.db2.gz LLDLWQHZCBUTMB-PYTPGESOSA-N 1 3 349.906 2.886 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001166765321 1312838767 /nfs/dbraw/zinc/83/87/67/1312838767.db2.gz XMHBFKWOSUBANZ-UHFFFAOYSA-N 1 3 343.515 2.892 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccsc3Cl)CC2)CC1 ZINC001233059199 1312846420 /nfs/dbraw/zinc/84/64/20/1312846420.db2.gz KURYBKKQUQYWOU-UHFFFAOYSA-N 1 3 327.925 2.861 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001188139661 1291316892 /nfs/dbraw/zinc/31/68/92/1291316892.db2.gz QURRDNJNELOPIV-IEJDHCNXSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001188145768 1291319647 /nfs/dbraw/zinc/31/96/47/1291319647.db2.gz NWJCZABTTRTNEJ-CQSZACIVSA-N 1 3 341.858 2.510 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001188158529 1291334896 /nfs/dbraw/zinc/33/48/96/1291334896.db2.gz SCKOKNJIBIGEMM-MRXNPFEDSA-N 1 3 339.430 2.655 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001188158032 1291335096 /nfs/dbraw/zinc/33/50/96/1291335096.db2.gz DQNKRSWRIDAVQP-SHCNBLLESA-N 1 3 349.906 2.884 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001166851896 1312853752 /nfs/dbraw/zinc/85/37/52/1312853752.db2.gz KEECBIAIIXFYKU-IBGZPJMESA-N 1 3 327.472 2.776 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001166851795 1312853873 /nfs/dbraw/zinc/85/38/73/1312853873.db2.gz HMVWUKYQHAYXGV-WBMJQRKESA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001166852030 1312853922 /nfs/dbraw/zinc/85/39/22/1312853922.db2.gz KVNXATXWVIWQSH-BBRMVZONSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)c1ccc(F)cc1F ZINC001166852746 1312854012 /nfs/dbraw/zinc/85/40/12/1312854012.db2.gz VXQBLLMKKBRIII-SJORKVTESA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001166858687 1312855271 /nfs/dbraw/zinc/85/52/71/1312855271.db2.gz XCZMBXDULWBQLU-INIZCTEOSA-N 1 3 333.501 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(C(C)C)ccc1OC)N(C)C ZINC001166866662 1312856680 /nfs/dbraw/zinc/85/66/80/1312856680.db2.gz QDGJOKUWPGLUEO-SFHVURJKSA-N 1 3 349.519 2.755 20 0 EFADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc[nH]n1)CC2 ZINC001137126475 1291478366 /nfs/dbraw/zinc/47/83/66/1291478366.db2.gz MBMMUIACIDULRP-UHFFFAOYSA-N 1 3 325.460 2.681 20 0 EFADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc[nH]n1)CC2 ZINC001137126475 1291478372 /nfs/dbraw/zinc/47/83/72/1291478372.db2.gz MBMMUIACIDULRP-UHFFFAOYSA-N 1 3 325.460 2.681 20 0 EFADHO c1ccc([C@@H](CNc2ccc3c(n2)OCCNC3)[NH+]2CCCC2)cc1 ZINC001166889121 1312860971 /nfs/dbraw/zinc/86/09/71/1312860971.db2.gz NNNQPWHFQQONCJ-GOSISDBHSA-N 1 3 338.455 2.813 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001189111260 1291571405 /nfs/dbraw/zinc/57/14/05/1291571405.db2.gz XUFVGOHEUFYBCY-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001189111260 1291571409 /nfs/dbraw/zinc/57/14/09/1291571409.db2.gz XUFVGOHEUFYBCY-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2)C1 ZINC000957516712 1291698690 /nfs/dbraw/zinc/69/86/90/1291698690.db2.gz AGWZZXCXYRLHQB-ACBHZAAOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878605962 1291731365 /nfs/dbraw/zinc/73/13/65/1291731365.db2.gz LHKRPNAUEVLJSM-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)C1CC1 ZINC000957559099 1291764054 /nfs/dbraw/zinc/76/40/54/1291764054.db2.gz AZLKUUNGNNCURQ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2)N(C)C ZINC000957563647 1291771493 /nfs/dbraw/zinc/77/14/93/1291771493.db2.gz LMELKOXMYLUNNB-KRWDZBQOSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC000957564204 1291772891 /nfs/dbraw/zinc/77/28/91/1291772891.db2.gz XMWIRGZQWIARAX-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO O=C(CCN1CCCN(c2cc[nH+]cc2)CC1)OCc1ccccc1 ZINC000878747506 1291773012 /nfs/dbraw/zinc/77/30/12/1291773012.db2.gz NXLMWZAOXYMNRV-UHFFFAOYSA-N 1 3 339.439 2.727 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC000957568088 1291780668 /nfs/dbraw/zinc/78/06/68/1291780668.db2.gz CQKFIAVYAMGIRS-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001189669629 1291794050 /nfs/dbraw/zinc/79/40/50/1291794050.db2.gz YEGVFGYEWLSUMN-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001189669629 1291794057 /nfs/dbraw/zinc/79/40/57/1291794057.db2.gz YEGVFGYEWLSUMN-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001189660803 1291806764 /nfs/dbraw/zinc/80/67/64/1291806764.db2.gz XNOLJGXJMLKCIU-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3ccc(F)cc3C)C[C@H]21 ZINC001189660803 1291806772 /nfs/dbraw/zinc/80/67/72/1291806772.db2.gz XNOLJGXJMLKCIU-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016615502 1312882840 /nfs/dbraw/zinc/88/28/40/1312882840.db2.gz WFBBKAHLJGYPSO-FXIPVCQGSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016615502 1312882842 /nfs/dbraw/zinc/88/28/42/1312882842.db2.gz WFBBKAHLJGYPSO-FXIPVCQGSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614413 1312882505 /nfs/dbraw/zinc/88/25/05/1312882505.db2.gz OIGMHRYKIOAPKT-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016615065 1312882564 /nfs/dbraw/zinc/88/25/64/1312882564.db2.gz SHZABKFFLMGXJV-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016615073 1312883007 /nfs/dbraw/zinc/88/30/07/1312883007.db2.gz SHZABKFFLMGXJV-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957602838 1291854612 /nfs/dbraw/zinc/85/46/12/1291854612.db2.gz HSGPDMOLMSQRIF-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620159 1312885240 /nfs/dbraw/zinc/88/52/40/1312885240.db2.gz IMGYYHLNMHQGSV-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001167043379 1312887860 /nfs/dbraw/zinc/88/78/60/1312887860.db2.gz BUWASTQQCCDPCZ-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000957656901 1291985353 /nfs/dbraw/zinc/98/53/53/1291985353.db2.gz PLEBGGZHXGLRJM-JLAWEPINSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCN(CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000957656901 1291985356 /nfs/dbraw/zinc/98/53/56/1291985356.db2.gz PLEBGGZHXGLRJM-JLAWEPINSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114795198 1292028335 /nfs/dbraw/zinc/02/83/35/1292028335.db2.gz XWNBSSBXSXEEJX-YDZRNGNQSA-N 1 3 349.563 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114795198 1292028346 /nfs/dbraw/zinc/02/83/46/1292028346.db2.gz XWNBSSBXSXEEJX-YDZRNGNQSA-N 1 3 349.563 2.835 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248426 1292041154 /nfs/dbraw/zinc/04/11/54/1292041154.db2.gz OCLSCWDIWURFKX-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[NH+]1CCC2(CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)CC1 ZINC000879249264 1292043067 /nfs/dbraw/zinc/04/30/67/1292043067.db2.gz KGMJFOXTSWQWOY-LJQANCHMSA-N 1 3 341.499 2.814 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016652559 1312905033 /nfs/dbraw/zinc/90/50/33/1312905033.db2.gz UFVVNLUCIDSPCZ-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016652558 1312905066 /nfs/dbraw/zinc/90/50/66/1312905066.db2.gz UFVVNLUCIDSPCZ-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc([C@H](C)N[C@H]2CC(=O)N(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380822 1292160518 /nfs/dbraw/zinc/16/05/18/1292160518.db2.gz LOMYFEGFURYYPY-YJBOKZPZSA-N 1 3 345.487 2.562 20 0 EFADHO CNC(=O)CCC[NH2+][C@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775381677 1292175159 /nfs/dbraw/zinc/17/51/59/1292175159.db2.gz LZYQKHQLTOHEMQ-MRXNPFEDSA-N 1 3 347.503 2.858 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001190436305 1292175697 /nfs/dbraw/zinc/17/56/97/1292175697.db2.gz SXFLPZJZHYPQNV-QZTJIDSGSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190436305 1292175699 /nfs/dbraw/zinc/17/56/99/1292175699.db2.gz SXFLPZJZHYPQNV-QZTJIDSGSA-N 1 3 339.499 2.699 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478544 1312907633 /nfs/dbraw/zinc/90/76/33/1312907633.db2.gz PLFNZUMMFZMAFD-ZWKOTPCHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478544 1312907635 /nfs/dbraw/zinc/90/76/35/1312907635.db2.gz PLFNZUMMFZMAFD-ZWKOTPCHSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203326056 1312908150 /nfs/dbraw/zinc/90/81/50/1312908150.db2.gz RZLSRAJZZYMZSB-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000957753545 1292193760 /nfs/dbraw/zinc/19/37/60/1292193760.db2.gz VFMSYSCGBVFXDT-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000957753545 1292193765 /nfs/dbraw/zinc/19/37/65/1292193765.db2.gz VFMSYSCGBVFXDT-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1CCN(CC2CCCC2)CC1 ZINC000957771977 1292223751 /nfs/dbraw/zinc/22/37/51/1292223751.db2.gz YQHGITWGBJZXAB-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC1CCC(CN2CCN(C(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC000957774033 1292227316 /nfs/dbraw/zinc/22/73/16/1292227316.db2.gz DHQNHEKFDNXUMJ-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)C/C=C\c3ccccc3)C2)CCC1 ZINC001190646123 1292263355 /nfs/dbraw/zinc/26/33/55/1292263355.db2.gz XNGYQSGZBUMJCP-ABMFHFBKSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C\c3ccccc3)C2)CCC1 ZINC001190646123 1292263361 /nfs/dbraw/zinc/26/33/61/1292263361.db2.gz XNGYQSGZBUMJCP-ABMFHFBKSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653848 1292266914 /nfs/dbraw/zinc/26/69/14/1292266914.db2.gz GWXDXWMBBAVRER-MSOLQXFVSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653848 1292266925 /nfs/dbraw/zinc/26/69/25/1292266925.db2.gz GWXDXWMBBAVRER-MSOLQXFVSA-N 1 3 349.544 2.554 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1)N(C)C ZINC001190901628 1292348488 /nfs/dbraw/zinc/34/84/88/1292348488.db2.gz ZVGGMCHFTZKYCL-UONOGXRCSA-N 1 3 337.430 2.592 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1)N(C)C ZINC001190901628 1292348493 /nfs/dbraw/zinc/34/84/93/1292348493.db2.gz ZVGGMCHFTZKYCL-UONOGXRCSA-N 1 3 337.430 2.592 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115535346 1292409013 /nfs/dbraw/zinc/40/90/13/1292409013.db2.gz SILSDXGOYYYSAT-INIZCTEOSA-N 1 3 327.488 2.628 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191030495 1292432756 /nfs/dbraw/zinc/43/27/56/1292432756.db2.gz UAMRGAOWWUBRIF-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191030495 1292432760 /nfs/dbraw/zinc/43/27/60/1292432760.db2.gz UAMRGAOWWUBRIF-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001191028522 1292433065 /nfs/dbraw/zinc/43/30/65/1292433065.db2.gz BZRDQIYTXDNKHY-CABCVRRESA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001191028522 1292433070 /nfs/dbraw/zinc/43/30/70/1292433070.db2.gz BZRDQIYTXDNKHY-CABCVRRESA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001190996977 1292436907 /nfs/dbraw/zinc/43/69/07/1292436907.db2.gz PDARMUIWPYUPTN-OAHLLOKOSA-N 1 3 337.533 2.554 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001190996977 1292436908 /nfs/dbraw/zinc/43/69/08/1292436908.db2.gz PDARMUIWPYUPTN-OAHLLOKOSA-N 1 3 337.533 2.554 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001049504505 1312936324 /nfs/dbraw/zinc/93/63/24/1312936324.db2.gz HECOTCXRJLOMBD-CEXWTWQISA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC=C(C)C ZINC001049504505 1312936328 /nfs/dbraw/zinc/93/63/28/1312936328.db2.gz HECOTCXRJLOMBD-CEXWTWQISA-N 1 3 333.520 2.892 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203513820 1312942592 /nfs/dbraw/zinc/94/25/92/1312942592.db2.gz IHMUJVYJDCAWPY-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203520729 1312944841 /nfs/dbraw/zinc/94/48/41/1312944841.db2.gz HMYRPVXWVDJXJV-SJORKVTESA-N 1 3 349.544 2.649 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017021 1292749021 /nfs/dbraw/zinc/74/90/21/1292749021.db2.gz MCNFKAGMRPJCPU-SFHVURJKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017020 1292750137 /nfs/dbraw/zinc/75/01/37/1292750137.db2.gz MCNFKAGMRPJCPU-GOSISDBHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276323024 1292753054 /nfs/dbraw/zinc/75/30/54/1292753054.db2.gz JDFCRTOYDYSDGH-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncsc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276323024 1292753059 /nfs/dbraw/zinc/75/30/59/1292753059.db2.gz JDFCRTOYDYSDGH-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001192027925 1292754025 /nfs/dbraw/zinc/75/40/25/1292754025.db2.gz BFZLBNVKPDIBFZ-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028263 1292754528 /nfs/dbraw/zinc/75/45/28/1292754528.db2.gz FHOJVRFMWZDKMH-QAPCUYQASA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028264 1292754716 /nfs/dbraw/zinc/75/47/16/1292754716.db2.gz FHOJVRFMWZDKMH-YJBOKZPZSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001192027940 1292754949 /nfs/dbraw/zinc/75/49/49/1292754949.db2.gz BFZLBNVKPDIBFZ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21)CC(C)(C)C ZINC001114839941 1292799020 /nfs/dbraw/zinc/79/90/20/1292799020.db2.gz HAFGXWYXFUHLSU-VQFNDLOPSA-N 1 3 337.552 2.837 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21)CC(C)(C)C ZINC001114839941 1292799031 /nfs/dbraw/zinc/79/90/31/1292799031.db2.gz HAFGXWYXFUHLSU-VQFNDLOPSA-N 1 3 337.552 2.837 20 0 EFADHO CN(Cc1cc2ccccc2s1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170381 1292806285 /nfs/dbraw/zinc/80/62/85/1292806285.db2.gz KNBAFFISSXCPBN-MRXNPFEDSA-N 1 3 345.512 2.886 20 0 EFADHO C[C@@H]([NH2+]CCOc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775506779 1292806835 /nfs/dbraw/zinc/80/68/35/1292806835.db2.gz DJLCMWDYQNEBDC-IEBWSBKVSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@@H](NCCOc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775506779 1292806850 /nfs/dbraw/zinc/80/68/50/1292806850.db2.gz DJLCMWDYQNEBDC-IEBWSBKVSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@@H](NCCOc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775506779 1292806859 /nfs/dbraw/zinc/80/68/59/1292806859.db2.gz DJLCMWDYQNEBDC-IEBWSBKVSA-N 1 3 325.456 2.961 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001192191377 1292809584 /nfs/dbraw/zinc/80/95/84/1292809584.db2.gz YMYHTCOGHZAMEG-ASOYJQDNSA-N 1 3 343.515 2.819 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839478 1292814612 /nfs/dbraw/zinc/81/46/12/1292814612.db2.gz BSWKCYXKUAPFQD-IMBTUZDBSA-N 1 3 337.552 2.693 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839478 1292814630 /nfs/dbraw/zinc/81/46/30/1292814630.db2.gz BSWKCYXKUAPFQD-IMBTUZDBSA-N 1 3 337.552 2.693 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001192327287 1292872134 /nfs/dbraw/zinc/87/21/34/1292872134.db2.gz ZGUKLYGQXMBFBF-MOPGFXCFSA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001192327289 1292872232 /nfs/dbraw/zinc/87/22/32/1292872232.db2.gz ZGUKLYGQXMBFBF-RBUKOAKNSA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001192386126 1292884836 /nfs/dbraw/zinc/88/48/36/1292884836.db2.gz OHDOGGDBDURLIH-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001192386126 1292884851 /nfs/dbraw/zinc/88/48/51/1292884851.db2.gz OHDOGGDBDURLIH-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001192385742 1292885319 /nfs/dbraw/zinc/88/53/19/1292885319.db2.gz JFRLJVHDHWTAPK-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001192385742 1292885332 /nfs/dbraw/zinc/88/53/32/1292885332.db2.gz JFRLJVHDHWTAPK-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001095903956 1292923950 /nfs/dbraw/zinc/92/39/50/1292923950.db2.gz SZIZITRPDHLKEI-YRXWBPOGSA-N 1 3 333.520 2.796 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001095903956 1292923962 /nfs/dbraw/zinc/92/39/62/1292923962.db2.gz SZIZITRPDHLKEI-YRXWBPOGSA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@@H](F)CN1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760868 1312963445 /nfs/dbraw/zinc/96/34/45/1312963445.db2.gz CXHXXXUAQBFFOF-HZPDHXFCSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761139 1312963503 /nfs/dbraw/zinc/96/35/03/1312963503.db2.gz GUIKSYGVYDVFGI-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@@H]3NC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001016761420 1312964181 /nfs/dbraw/zinc/96/41/81/1312964181.db2.gz LCSAESWVVQBJHF-ABHNRTSZSA-N 1 3 347.547 2.878 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192947367 1293106340 /nfs/dbraw/zinc/10/63/40/1293106340.db2.gz ICSNGXDPXXCGSR-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192947367 1293106343 /nfs/dbraw/zinc/10/63/43/1293106343.db2.gz ICSNGXDPXXCGSR-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001192947685 1293108521 /nfs/dbraw/zinc/10/85/21/1293108521.db2.gz KFKUZJGDGAGTIJ-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001192947685 1293108526 /nfs/dbraw/zinc/10/85/26/1293108526.db2.gz KFKUZJGDGAGTIJ-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001192948658 1293108743 /nfs/dbraw/zinc/10/87/43/1293108743.db2.gz UYRBDAOGCCQLLI-FUHWJXTLSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001192948658 1293108746 /nfs/dbraw/zinc/10/87/46/1293108746.db2.gz UYRBDAOGCCQLLI-FUHWJXTLSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001192969050 1293126031 /nfs/dbraw/zinc/12/60/31/1293126031.db2.gz GGGGASRGFFBENB-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001192969050 1293126033 /nfs/dbraw/zinc/12/60/33/1293126033.db2.gz GGGGASRGFFBENB-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001192970161 1293127127 /nfs/dbraw/zinc/12/71/27/1293127127.db2.gz QAYXBZFZVFRBBX-CWUFLNSKSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001192970161 1293127128 /nfs/dbraw/zinc/12/71/28/1293127128.db2.gz QAYXBZFZVFRBBX-CWUFLNSKSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C1 ZINC001192969545 1293127996 /nfs/dbraw/zinc/12/79/96/1293127996.db2.gz KONQMYWSXQZNQA-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C1 ZINC001192969545 1293128000 /nfs/dbraw/zinc/12/80/00/1293128000.db2.gz KONQMYWSXQZNQA-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203652402 1312981991 /nfs/dbraw/zinc/98/19/91/1312981991.db2.gz UHJFXDVILBFSJK-QZTJIDSGSA-N 1 3 329.488 2.545 20 0 EFADHO CCC/C=C\CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026527 1293144772 /nfs/dbraw/zinc/14/47/72/1293144772.db2.gz KQINCAGKAMPOIE-LIXSYLKWSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C\CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026527 1293144776 /nfs/dbraw/zinc/14/47/76/1293144776.db2.gz KQINCAGKAMPOIE-LIXSYLKWSA-N 1 3 335.536 2.997 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203649358 1312980215 /nfs/dbraw/zinc/98/02/15/1312980215.db2.gz ASYXHJOMBCCQBX-ZWKOTPCHSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203650255 1312980248 /nfs/dbraw/zinc/98/02/48/1312980248.db2.gz FUVPBTZTSWDGOX-CVEARBPZSA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203650679 1312981181 /nfs/dbraw/zinc/98/11/81/1312981181.db2.gz JEXAKRXRXOZZRC-IAGOWNOFSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203652085 1312981656 /nfs/dbraw/zinc/98/16/56/1312981656.db2.gz RJBLONHXWHJOLM-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203659426 1312983282 /nfs/dbraw/zinc/98/32/82/1312983282.db2.gz HLNUCRFSNRPTQD-ZWKOTPCHSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203661043 1312983563 /nfs/dbraw/zinc/98/35/63/1312983563.db2.gz SLVIRMFEZHIDFJ-DLBZAZTESA-N 1 3 332.492 2.714 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193279985 1293232600 /nfs/dbraw/zinc/23/26/00/1293232600.db2.gz SAVZKIVJWKXJGU-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193279985 1293232606 /nfs/dbraw/zinc/23/26/06/1293232606.db2.gz SAVZKIVJWKXJGU-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001193289902 1293237740 /nfs/dbraw/zinc/23/77/40/1293237740.db2.gz BNRCBJDFPNBKOR-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001193289902 1293237745 /nfs/dbraw/zinc/23/77/45/1293237745.db2.gz BNRCBJDFPNBKOR-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193423540 1293303268 /nfs/dbraw/zinc/30/32/68/1293303268.db2.gz BZDJUOJGZMUULU-LPUZSPFPSA-N 1 3 349.906 2.965 20 0 EFADHO CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193423540 1293303279 /nfs/dbraw/zinc/30/32/79/1293303279.db2.gz BZDJUOJGZMUULU-LPUZSPFPSA-N 1 3 349.906 2.965 20 0 EFADHO COc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(C)c1C ZINC001203718530 1312997671 /nfs/dbraw/zinc/99/76/71/1312997671.db2.gz CAHCVCOYBFJSMG-UHFFFAOYSA-N 1 3 331.504 2.524 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N(C)C)CC2)CC1 ZINC001203704009 1312994178 /nfs/dbraw/zinc/99/41/78/1312994178.db2.gz DFMFBPXBUIYBBA-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571045 1293346958 /nfs/dbraw/zinc/34/69/58/1293346958.db2.gz PSNRYJKAFJUTNE-FNUUXAGOSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1cccc(CCC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001203708668 1312995450 /nfs/dbraw/zinc/99/54/50/1312995450.db2.gz CJZMCOIAGJSWKZ-UHFFFAOYSA-N 1 3 343.515 2.604 20 0 EFADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819670 1312996658 /nfs/dbraw/zinc/99/66/58/1312996658.db2.gz LTHHBTHJVCGEBN-HNAYVOBHSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001193623098 1293372972 /nfs/dbraw/zinc/37/29/72/1293372972.db2.gz XSIWXKBUBOUDRK-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001193623098 1293372982 /nfs/dbraw/zinc/37/29/82/1293372982.db2.gz XSIWXKBUBOUDRK-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193623076 1293373300 /nfs/dbraw/zinc/37/33/00/1293373300.db2.gz XDOXDNGAVLRDDH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193623076 1293373310 /nfs/dbraw/zinc/37/33/10/1293373310.db2.gz XDOXDNGAVLRDDH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001193640841 1293379718 /nfs/dbraw/zinc/37/97/18/1293379718.db2.gz FROTZYJOZFQTMT-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001193640841 1293379727 /nfs/dbraw/zinc/37/97/27/1293379727.db2.gz FROTZYJOZFQTMT-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001193641630 1293382043 /nfs/dbraw/zinc/38/20/43/1293382043.db2.gz HYPQIJUJXJRONU-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001193641630 1293382050 /nfs/dbraw/zinc/38/20/50/1293382050.db2.gz HYPQIJUJXJRONU-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C1 ZINC001193641998 1293382463 /nfs/dbraw/zinc/38/24/63/1293382463.db2.gz KDMXFWMTPKMLLB-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C1 ZINC001193641998 1293382470 /nfs/dbraw/zinc/38/24/70/1293382470.db2.gz KDMXFWMTPKMLLB-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001193641627 1293382793 /nfs/dbraw/zinc/38/27/93/1293382793.db2.gz HYPQIJUJXJRONU-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001193641627 1293382802 /nfs/dbraw/zinc/38/28/02/1293382802.db2.gz HYPQIJUJXJRONU-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001193642079 1293383264 /nfs/dbraw/zinc/38/32/64/1293383264.db2.gz LSHKBBYKGWPGFC-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001193642079 1293383271 /nfs/dbraw/zinc/38/32/71/1293383271.db2.gz LSHKBBYKGWPGFC-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccc(CC)cc2)C1 ZINC001193643103 1293383456 /nfs/dbraw/zinc/38/34/56/1293383456.db2.gz RRCNFSXMPLDCKN-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccc(CC)cc2)C1 ZINC001193643103 1293383463 /nfs/dbraw/zinc/38/34/63/1293383463.db2.gz RRCNFSXMPLDCKN-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2CC)C1 ZINC001193643814 1293384476 /nfs/dbraw/zinc/38/44/76/1293384476.db2.gz ZSUSRJZEGVKGIX-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2CC)C1 ZINC001193643814 1293384484 /nfs/dbraw/zinc/38/44/84/1293384484.db2.gz ZSUSRJZEGVKGIX-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193600617 1293387851 /nfs/dbraw/zinc/38/78/51/1293387851.db2.gz HVGVRLHDFDNTOA-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193600617 1293387858 /nfs/dbraw/zinc/38/78/58/1293387858.db2.gz HVGVRLHDFDNTOA-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193600880 1293388118 /nfs/dbraw/zinc/38/81/18/1293388118.db2.gz NUMDAPBHRVQWNE-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193600880 1293388126 /nfs/dbraw/zinc/38/81/26/1293388126.db2.gz NUMDAPBHRVQWNE-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193601351 1293388930 /nfs/dbraw/zinc/38/89/30/1293388930.db2.gz ZTLFNQNWENRNGU-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193601351 1293388938 /nfs/dbraw/zinc/38/89/38/1293388938.db2.gz ZTLFNQNWENRNGU-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001016825271 1312999322 /nfs/dbraw/zinc/99/93/22/1312999322.db2.gz GZVDIAYQKOBVBV-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3oc(=O)oc3c2)[C@H](C)C1 ZINC000883003438 1293424226 /nfs/dbraw/zinc/42/42/26/1293424226.db2.gz PVRIDWHKZBWDQP-GDBMZVCRSA-N 1 3 348.443 2.613 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC001016828025 1313000635 /nfs/dbraw/zinc/00/06/35/1313000635.db2.gz BUAKUVGDBZABSF-RDJZCZTQSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016829189 1313001260 /nfs/dbraw/zinc/00/12/60/1313001260.db2.gz KQSSSEXOEBNTTH-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001016830821 1313001883 /nfs/dbraw/zinc/00/18/83/1313001883.db2.gz WLTUGUNCANSCGX-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001194040865 1293509403 /nfs/dbraw/zinc/50/94/03/1293509403.db2.gz UAKRBCJGVQEABF-FQEVSTJZSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001194040865 1293509408 /nfs/dbraw/zinc/50/94/08/1293509408.db2.gz UAKRBCJGVQEABF-FQEVSTJZSA-N 1 3 343.515 2.556 20 0 EFADHO C[C@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228675 1293548304 /nfs/dbraw/zinc/54/83/04/1293548304.db2.gz SHLDEJYCIQRWSW-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228675 1293548308 /nfs/dbraw/zinc/54/83/08/1293548308.db2.gz SHLDEJYCIQRWSW-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194266662 1293575692 /nfs/dbraw/zinc/57/56/92/1293575692.db2.gz XSKAKIYTRCXZTL-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194266662 1293575695 /nfs/dbraw/zinc/57/56/95/1293575695.db2.gz XSKAKIYTRCXZTL-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001194284776 1293586682 /nfs/dbraw/zinc/58/66/82/1293586682.db2.gz NLPIVMYAUYWCBO-FQEVSTJZSA-N 1 3 343.515 2.548 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001194284776 1293586685 /nfs/dbraw/zinc/58/66/85/1293586685.db2.gz NLPIVMYAUYWCBO-FQEVSTJZSA-N 1 3 343.515 2.548 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001194284705 1293587204 /nfs/dbraw/zinc/58/72/04/1293587204.db2.gz MFQGORVNDLYOIT-QGZVFWFLSA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001194284705 1293587211 /nfs/dbraw/zinc/58/72/11/1293587211.db2.gz MFQGORVNDLYOIT-QGZVFWFLSA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001194285859 1293588611 /nfs/dbraw/zinc/58/86/11/1293588611.db2.gz SYUNVQNYKUIETB-BLRBJFNZSA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001194285859 1293588620 /nfs/dbraw/zinc/58/86/20/1293588620.db2.gz SYUNVQNYKUIETB-BLRBJFNZSA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001194295063 1293592368 /nfs/dbraw/zinc/59/23/68/1293592368.db2.gz OLHWZDIGRNTOKO-HXUWFJFHSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001194295063 1293592374 /nfs/dbraw/zinc/59/23/74/1293592374.db2.gz OLHWZDIGRNTOKO-HXUWFJFHSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016860233 1313015228 /nfs/dbraw/zinc/01/52/28/1313015228.db2.gz HGSVGACEROOWMO-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203791439 1313016272 /nfs/dbraw/zinc/01/62/72/1313016272.db2.gz IOVIUDWSEVJEPE-ROUUACIJSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791110 1313016501 /nfs/dbraw/zinc/01/65/01/1313016501.db2.gz CNOYFEHLDXNQQB-RTBURBONSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)cc1 ZINC001203792266 1313017248 /nfs/dbraw/zinc/01/72/48/1313017248.db2.gz NWENJGSRLLHZHD-RTBURBONSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)cs1 ZINC001203793770 1313017950 /nfs/dbraw/zinc/01/79/50/1313017950.db2.gz UDRMJPPEUSFROX-DLBZAZTESA-N 1 3 349.544 2.914 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203794133 1313018038 /nfs/dbraw/zinc/01/80/38/1313018038.db2.gz UZTWAMCPINKWIL-HOTGVXAUSA-N 1 3 335.517 2.605 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203869223 1313036677 /nfs/dbraw/zinc/03/66/77/1313036677.db2.gz AOIBAJDKVQNUAT-OWBHPGMISA-N 1 3 348.318 2.762 20 0 EFADHO CC(C)CC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203869697 1313037168 /nfs/dbraw/zinc/03/71/68/1313037168.db2.gz NCGWDKWJXHTDOD-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203887347 1313041099 /nfs/dbraw/zinc/04/10/99/1313041099.db2.gz AOQYYTQJMVHDSU-QGZVFWFLSA-N 1 3 335.467 2.691 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NCCNCc2cc(F)cc(F)c2)c1 ZINC001152236544 1294003737 /nfs/dbraw/zinc/00/37/37/1294003737.db2.gz BCYZHHTXVLVRDZ-UHFFFAOYSA-N 1 3 347.409 2.546 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884186349 1294036759 /nfs/dbraw/zinc/03/67/59/1294036759.db2.gz XRLPJEOFVQKOCG-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884186349 1294036762 /nfs/dbraw/zinc/03/67/62/1294036762.db2.gz XRLPJEOFVQKOCG-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203925090 1313048482 /nfs/dbraw/zinc/04/84/82/1313048482.db2.gz KDARYWBHLZRLKZ-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccc(CC[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001203925076 1313048517 /nfs/dbraw/zinc/04/85/17/1313048517.db2.gz JOODBEMFZBHCTC-UHFFFAOYSA-N 1 3 345.531 2.712 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865576 1294063954 /nfs/dbraw/zinc/06/39/54/1294063954.db2.gz LXUUDAYTONNMQY-MSOLQXFVSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865576 1294063960 /nfs/dbraw/zinc/06/39/60/1294063960.db2.gz LXUUDAYTONNMQY-MSOLQXFVSA-N 1 3 339.499 2.535 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000884324941 1294098447 /nfs/dbraw/zinc/09/84/47/1294098447.db2.gz DYULHLJLBDJFMU-IBGZPJMESA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884324941 1294098452 /nfs/dbraw/zinc/09/84/52/1294098452.db2.gz DYULHLJLBDJFMU-IBGZPJMESA-N 1 3 341.499 2.629 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000884330806 1294099960 /nfs/dbraw/zinc/09/99/60/1294099960.db2.gz XWKBCBHEUDUHAL-OALUTQOASA-N 1 3 347.503 2.582 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC001196011028 1294104135 /nfs/dbraw/zinc/10/41/35/1294104135.db2.gz VTINAITVUXUEPB-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001196011028 1294104140 /nfs/dbraw/zinc/10/41/40/1294104140.db2.gz VTINAITVUXUEPB-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024241 1294108845 /nfs/dbraw/zinc/10/88/45/1294108845.db2.gz GMMOOICBANUEPP-CNZFZVQHSA-N 1 3 341.515 2.947 20 0 EFADHO CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024241 1294108851 /nfs/dbraw/zinc/10/88/51/1294108851.db2.gz GMMOOICBANUEPP-CNZFZVQHSA-N 1 3 341.515 2.947 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001196156365 1294152239 /nfs/dbraw/zinc/15/22/39/1294152239.db2.gz ZQQBGHKAJKLRJC-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001196156365 1294152241 /nfs/dbraw/zinc/15/22/41/1294152241.db2.gz ZQQBGHKAJKLRJC-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016949991 1313055980 /nfs/dbraw/zinc/05/59/80/1313055980.db2.gz IAUYVHMCGVHSPM-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016950011 1313056022 /nfs/dbraw/zinc/05/60/22/1313056022.db2.gz IGINKVLQDIRUIT-KRWDZBQOSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016951739 1313056543 /nfs/dbraw/zinc/05/65/43/1313056543.db2.gz TUZPLFOXQDSTBA-GOSISDBHSA-N 1 3 344.503 2.812 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196274717 1294188417 /nfs/dbraw/zinc/18/84/17/1294188417.db2.gz AQYGSYNVVUZWMV-QVOQXLMASA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196274717 1294188421 /nfs/dbraw/zinc/18/84/21/1294188421.db2.gz AQYGSYNVVUZWMV-QVOQXLMASA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196389075 1294221513 /nfs/dbraw/zinc/22/15/13/1294221513.db2.gz ZTCVWFXLAWYDJS-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196389075 1294221516 /nfs/dbraw/zinc/22/15/16/1294221516.db2.gz ZTCVWFXLAWYDJS-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1C ZINC001273721838 1294251444 /nfs/dbraw/zinc/25/14/44/1294251444.db2.gz SHDROLLTBXGWMF-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1C ZINC001273721838 1294251452 /nfs/dbraw/zinc/25/14/52/1294251452.db2.gz SHDROLLTBXGWMF-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619511 1294308238 /nfs/dbraw/zinc/30/82/38/1294308238.db2.gz DCLPISQNEJFZDH-ZRHASKPBSA-N 1 3 333.520 2.751 20 0 EFADHO CC[NH+](CC)CCCNC(=S)N1CCN(C2CCCCC2)CC1 ZINC001196650812 1294319122 /nfs/dbraw/zinc/31/91/22/1294319122.db2.gz CGHFTURBKNATRB-UHFFFAOYSA-N 1 3 340.581 2.543 20 0 EFADHO CC(C)(C(=O)N1CCCN(CCCCCF)CC1)[NH+]1CCCC1 ZINC001196717882 1294341159 /nfs/dbraw/zinc/34/11/59/1294341159.db2.gz DLAXCIPQVYULSA-UHFFFAOYSA-N 1 3 327.488 2.535 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001016983502 1313071808 /nfs/dbraw/zinc/07/18/08/1313071808.db2.gz UFFDPWZLKRSRFN-GOSISDBHSA-N 1 3 347.478 2.692 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016983550 1313071957 /nfs/dbraw/zinc/07/19/57/1313071957.db2.gz VFDKPOLCGXCENG-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943397 1294418765 /nfs/dbraw/zinc/41/87/65/1294418765.db2.gz OTVDBEWINSNTNY-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001196943824 1294418870 /nfs/dbraw/zinc/41/88/70/1294418870.db2.gz TUDVKKOBLRERJB-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC1 ZINC001196952754 1294420472 /nfs/dbraw/zinc/42/04/72/1294420472.db2.gz ANVWOLHSDSIROZ-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049421 1294440075 /nfs/dbraw/zinc/44/00/75/1294440075.db2.gz PGZWDIYJSVZHAW-QGZVFWFLSA-N 1 3 343.515 2.722 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)CC[NH+](C)C)CC2)c(C)c1 ZINC001197029534 1294444705 /nfs/dbraw/zinc/44/47/05/1294444705.db2.gz VCBRAHLSTUQWED-UHFFFAOYSA-N 1 3 331.504 2.598 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN1C(C)C ZINC000958783428 1294481835 /nfs/dbraw/zinc/48/18/35/1294481835.db2.gz AMPGMPJHELTKSL-WOJBJXKFSA-N 1 3 343.515 2.983 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000958784884 1294483739 /nfs/dbraw/zinc/48/37/39/1294483739.db2.gz YRSOVFNDOXSZJV-OALUTQOASA-N 1 3 329.488 2.595 20 0 EFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C)c(OC(C)C)c(C)c1 ZINC001197248195 1294486348 /nfs/dbraw/zinc/48/63/48/1294486348.db2.gz PHZLEXCWKAKRGC-UHFFFAOYSA-N 1 3 348.491 2.768 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCC1 ZINC000958795803 1294496065 /nfs/dbraw/zinc/49/60/65/1294496065.db2.gz VNPDUFDNQOSXGY-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc(OC(C)(C)C)cc3)C2)C1 ZINC001276349550 1294539916 /nfs/dbraw/zinc/53/99/16/1294539916.db2.gz SDVNZLIERAJMSK-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610988 1313086534 /nfs/dbraw/zinc/08/65/34/1313086534.db2.gz DAPJHUJMFXYPSK-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610988 1313086538 /nfs/dbraw/zinc/08/65/38/1313086538.db2.gz DAPJHUJMFXYPSK-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340684 1294579799 /nfs/dbraw/zinc/57/97/99/1294579799.db2.gz UEDTUVFZVOXHMK-UHFFFAOYSA-N 1 3 346.519 2.595 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610992 1313086220 /nfs/dbraw/zinc/08/62/20/1313086220.db2.gz DAPJHUJMFXYPSK-QRVBRYPASA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610992 1313086223 /nfs/dbraw/zinc/08/62/23/1313086223.db2.gz DAPJHUJMFXYPSK-QRVBRYPASA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615079 1313089432 /nfs/dbraw/zinc/08/94/32/1313089432.db2.gz HNGNUIASYIDYGR-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615079 1313089435 /nfs/dbraw/zinc/08/94/35/1313089435.db2.gz HNGNUIASYIDYGR-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095912527 1294652783 /nfs/dbraw/zinc/65/27/83/1294652783.db2.gz XKJYZYVDTBKKLG-XWSJACJDSA-N 1 3 333.520 2.913 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095912527 1294652788 /nfs/dbraw/zinc/65/27/88/1294652788.db2.gz XKJYZYVDTBKKLG-XWSJACJDSA-N 1 3 333.520 2.913 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2c(C)cc(C)cc2C)CC1 ZINC001197698338 1294675110 /nfs/dbraw/zinc/67/51/10/1294675110.db2.gz GDGWSQXEIKDEDH-UHFFFAOYSA-N 1 3 345.531 2.988 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2c(C)cc(C)cc2C)CC1 ZINC001197698338 1294675120 /nfs/dbraw/zinc/67/51/20/1294675120.db2.gz GDGWSQXEIKDEDH-UHFFFAOYSA-N 1 3 345.531 2.988 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197708162 1294682433 /nfs/dbraw/zinc/68/24/33/1294682433.db2.gz YJOJNKYGHYEXMQ-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197708162 1294682440 /nfs/dbraw/zinc/68/24/40/1294682440.db2.gz YJOJNKYGHYEXMQ-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197907715 1294796761 /nfs/dbraw/zinc/79/67/61/1294796761.db2.gz JBIBLKIRQWJBRB-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197907715 1294796771 /nfs/dbraw/zinc/79/67/71/1294796771.db2.gz JBIBLKIRQWJBRB-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006403185 1294819381 /nfs/dbraw/zinc/81/93/81/1294819381.db2.gz YSKAJTNUMUSMPX-RDJZCZTQSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006403185 1294819387 /nfs/dbraw/zinc/81/93/87/1294819387.db2.gz YSKAJTNUMUSMPX-RDJZCZTQSA-N 1 3 347.478 2.761 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001152383888 1294843796 /nfs/dbraw/zinc/84/37/96/1294843796.db2.gz LIQRZLNRTWMGNU-UHFFFAOYSA-N 1 3 339.483 2.700 20 0 EFADHO c1cnn(CCC[NH+]2CCC3(CCCN(Cc4ccc[nH]4)C3)CC2)c1 ZINC001276450232 1313106973 /nfs/dbraw/zinc/10/69/73/1313106973.db2.gz ADONQSNRRKMJNO-UHFFFAOYSA-N 1 3 341.503 2.980 20 0 EFADHO CN(CCOc1ccc(Cl)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717606 1313110953 /nfs/dbraw/zinc/11/09/53/1313110953.db2.gz BLEXNGCFGVPORJ-KRWDZBQOSA-N 1 3 338.879 2.809 20 0 EFADHO CCC(=O)NC1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204267045 1313111853 /nfs/dbraw/zinc/11/18/53/1313111853.db2.gz DGQFDHHXVOLBMJ-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258941 1294958579 /nfs/dbraw/zinc/95/85/79/1294958579.db2.gz GUVSPAKKIXZABP-UEKDZROGSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723017 1313118665 /nfs/dbraw/zinc/11/86/65/1313118665.db2.gz RYRXSSFLWMORBA-TZIWHRDSSA-N 1 3 342.483 2.658 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636574 1313118808 /nfs/dbraw/zinc/11/88/08/1313118808.db2.gz CVXICZFWYCTBKK-YESZJQIVSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636574 1313118809 /nfs/dbraw/zinc/11/88/09/1313118809.db2.gz CVXICZFWYCTBKK-YESZJQIVSA-N 1 3 339.499 2.674 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723015 1313118847 /nfs/dbraw/zinc/11/88/47/1313118847.db2.gz RYRXSSFLWMORBA-FPOVZHCZSA-N 1 3 342.483 2.658 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636567 1313119054 /nfs/dbraw/zinc/11/90/54/1313119054.db2.gz CVXICZFWYCTBKK-GVDBMIGSSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636567 1313119058 /nfs/dbraw/zinc/11/90/58/1313119058.db2.gz CVXICZFWYCTBKK-GVDBMIGSSA-N 1 3 339.499 2.674 20 0 EFADHO c1ccc([C@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCS2)cc1 ZINC000903730490 1313132065 /nfs/dbraw/zinc/13/20/65/1313132065.db2.gz WTJPHDFQCLVGKO-QZTJIDSGSA-N 1 3 332.513 2.935 20 0 EFADHO Cc1cnsc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276460911 1313132221 /nfs/dbraw/zinc/13/22/21/1313132221.db2.gz ABJAFOVTCRENBS-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1cnsc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276460911 1313132225 /nfs/dbraw/zinc/13/22/25/1313132225.db2.gz ABJAFOVTCRENBS-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1OC ZINC001198760021 1295237239 /nfs/dbraw/zinc/23/72/39/1295237239.db2.gz PROGBVJIXKFBGZ-KRWDZBQOSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)c1ccccc1OC ZINC001198776375 1295246757 /nfs/dbraw/zinc/24/67/57/1295246757.db2.gz PUXQHPOPMAYDGU-MRXNPFEDSA-N 1 3 335.492 2.582 20 0 EFADHO CCCN[C@H](CNC(=O)C(C)(C)[N@@H+](C)CC)c1ccccc1OC ZINC001198776375 1295246765 /nfs/dbraw/zinc/24/67/65/1295246765.db2.gz PUXQHPOPMAYDGU-MRXNPFEDSA-N 1 3 335.492 2.582 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NC(C)C ZINC001198827396 1295253680 /nfs/dbraw/zinc/25/36/80/1295253680.db2.gz RKPQZRYJWJJQDG-KRWDZBQOSA-N 1 3 347.503 2.725 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895453 1295297958 /nfs/dbraw/zinc/29/79/58/1295297958.db2.gz RGJLKOUKBCBVGZ-ZWKOTPCHSA-N 1 3 349.519 2.973 20 0 EFADHO CCCCCCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885593 1295320090 /nfs/dbraw/zinc/32/00/90/1295320090.db2.gz MGOFRQLAMKQQSC-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC000775921816 1295341376 /nfs/dbraw/zinc/34/13/76/1295341376.db2.gz JZGIVYMMQIIWFZ-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO CCCN[C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968198 1295363730 /nfs/dbraw/zinc/36/37/30/1295363730.db2.gz LXGSAUNHSUWLOO-QGZVFWFLSA-N 1 3 335.492 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC001198968488 1295366533 /nfs/dbraw/zinc/36/65/33/1295366533.db2.gz MIMMIRQEOYEMFW-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198993798 1295391719 /nfs/dbraw/zinc/39/17/19/1295391719.db2.gz SDBSRCSQWKEJOW-ROUUACIJSA-N 1 3 347.503 2.725 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001203924602 1295400614 /nfs/dbraw/zinc/40/06/14/1295400614.db2.gz FIEVBIUTTBIFGU-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC001203925115 1295410466 /nfs/dbraw/zinc/41/04/66/1295410466.db2.gz LDXRFHKNNOWHCY-UHFFFAOYSA-N 1 3 345.478 2.733 20 0 EFADHO COC(=O)CCN[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277865401 1313157860 /nfs/dbraw/zinc/15/78/60/1313157860.db2.gz UXXQKUDJACLWAA-CABCVRRESA-N 1 3 336.398 2.917 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)C ZINC001234641236 1313175806 /nfs/dbraw/zinc/17/58/06/1313175806.db2.gz DBPHKWFKXUWESG-IAGOWNOFSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)C ZINC001234641236 1313175808 /nfs/dbraw/zinc/17/58/08/1313175808.db2.gz DBPHKWFKXUWESG-IAGOWNOFSA-N 1 3 329.504 2.635 20 0 EFADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643923 1313176873 /nfs/dbraw/zinc/17/68/73/1313176873.db2.gz RJBMQOGPLJAGTN-DLBZAZTESA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643923 1313176875 /nfs/dbraw/zinc/17/68/75/1313176875.db2.gz RJBMQOGPLJAGTN-DLBZAZTESA-N 1 3 329.504 2.779 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001199788454 1295753069 /nfs/dbraw/zinc/75/30/69/1295753069.db2.gz QPXBXPBKWFIOCE-JOCSGSGBSA-N 1 3 341.499 2.765 20 0 EFADHO COc1ccc([C@@H]2CCCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1F ZINC000903767057 1313180231 /nfs/dbraw/zinc/18/02/31/1313180231.db2.gz STJSLHPALQDWDX-HHXXYDBFSA-N 1 3 334.435 2.740 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCc2ccsc2)CC1 ZINC001204794142 1313195951 /nfs/dbraw/zinc/19/59/51/1313195951.db2.gz WWSGMRPRQUUAQS-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001204798115 1313196365 /nfs/dbraw/zinc/19/63/65/1313196365.db2.gz GDKYTRFZHWCJNK-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001204798720 1313196382 /nfs/dbraw/zinc/19/63/82/1313196382.db2.gz MQCYZUUKDMTSJF-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCC(F)(F)F)CC1 ZINC001204799447 1313196541 /nfs/dbraw/zinc/19/65/41/1313196541.db2.gz XERRLDKPSBSJAV-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccccc3)C2)CCC1 ZINC001017143732 1313199447 /nfs/dbraw/zinc/19/94/47/1313199447.db2.gz YUHHRBRZTPMLCN-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001017143732 1313199449 /nfs/dbraw/zinc/19/94/49/1313199449.db2.gz YUHHRBRZTPMLCN-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H](c1ccccc1)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903783220 1313205994 /nfs/dbraw/zinc/20/59/94/1313205994.db2.gz WNVLNANRNYNTJJ-AZUAARDMSA-N 1 3 343.515 2.524 20 0 EFADHO Fc1cccc(F)c1[C@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783770 1313207953 /nfs/dbraw/zinc/20/79/53/1313207953.db2.gz CHTPGJLQRKJSPW-GJZGRUSLSA-N 1 3 336.426 2.913 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017154334 1313209735 /nfs/dbraw/zinc/20/97/35/1313209735.db2.gz UDTYMGLHNQEYLB-IEBWSBKVSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017154334 1313209738 /nfs/dbraw/zinc/20/97/38/1313209738.db2.gz UDTYMGLHNQEYLB-IEBWSBKVSA-N 1 3 349.494 2.836 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037247506 1296062501 /nfs/dbraw/zinc/06/25/01/1296062501.db2.gz PMTYSMBAGDRMFZ-IRXDYDNUSA-N 1 3 346.519 2.961 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC000959849379 1296141951 /nfs/dbraw/zinc/14/19/51/1296141951.db2.gz LVTYHYLMZPKHCB-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000959849379 1296141955 /nfs/dbraw/zinc/14/19/55/1296141955.db2.gz LVTYHYLMZPKHCB-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC000959851627 1296142920 /nfs/dbraw/zinc/14/29/20/1296142920.db2.gz SWKXRBFQBZLSPC-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000959851627 1296142931 /nfs/dbraw/zinc/14/29/31/1296142931.db2.gz SWKXRBFQBZLSPC-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000959852982 1296145051 /nfs/dbraw/zinc/14/50/51/1296145051.db2.gz XYICUVKHKVUXQR-ZGXWSNOMSA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000959852982 1296145057 /nfs/dbraw/zinc/14/50/57/1296145057.db2.gz XYICUVKHKVUXQR-ZGXWSNOMSA-N 1 3 345.531 2.796 20 0 EFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235003288 1313221695 /nfs/dbraw/zinc/22/16/95/1313221695.db2.gz VWHHJISIXXOCPO-BSIFCXSSSA-N 1 3 330.516 2.676 20 0 EFADHO CCC(C)(C)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793340 1313223847 /nfs/dbraw/zinc/22/38/47/1313223847.db2.gz AWUSJLXQXOEVKC-INIZCTEOSA-N 1 3 331.504 2.672 20 0 EFADHO CC(C)CCNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794180 1313224254 /nfs/dbraw/zinc/22/42/54/1313224254.db2.gz PFZQXVNOMGMBFN-KRWDZBQOSA-N 1 3 331.504 2.530 20 0 EFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc(O)c(C)c3)(C1)CCC2 ZINC001275306282 1296253351 /nfs/dbraw/zinc/25/33/51/1296253351.db2.gz DONBKVVFOCQECL-UXHICEINSA-N 1 3 348.487 2.846 20 0 EFADHO C[N@H+](CCOc1ccccc1C(F)(F)F)C1(CN)CCOCC1 ZINC000903808856 1313237508 /nfs/dbraw/zinc/23/75/08/1313237508.db2.gz XJAYWAOLGOJAAW-UHFFFAOYSA-N 1 3 332.366 2.524 20 0 EFADHO C[N@@H+](CCOc1ccccc1C(F)(F)F)C1(CN)CCOCC1 ZINC000903808856 1313237511 /nfs/dbraw/zinc/23/75/11/1313237511.db2.gz XJAYWAOLGOJAAW-UHFFFAOYSA-N 1 3 332.366 2.524 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3ncoc3c1)C2 ZINC001275612545 1296324991 /nfs/dbraw/zinc/32/49/91/1296324991.db2.gz GZDGSPIYJQOTSK-HXUWFJFHSA-N 1 3 342.487 2.677 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3ncoc3c1)C2 ZINC001275612545 1296325008 /nfs/dbraw/zinc/32/50/08/1296325008.db2.gz GZDGSPIYJQOTSK-HXUWFJFHSA-N 1 3 342.487 2.677 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC000960022025 1296370255 /nfs/dbraw/zinc/37/02/55/1296370255.db2.gz KNNVRULFVKIOMM-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC000960042298 1296394537 /nfs/dbraw/zinc/39/45/37/1296394537.db2.gz FTUMMDDWCJLCDL-PKOBYXMFSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC000960044496 1296398791 /nfs/dbraw/zinc/39/87/91/1296398791.db2.gz SJENXFIXCUVTSO-PKOBYXMFSA-N 1 3 349.494 2.945 20 0 EFADHO [NH3+]C[C@@]1(O)CCCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205221194 1313253385 /nfs/dbraw/zinc/25/33/85/1313253385.db2.gz QYKHYICDRDQXJE-LJQANCHMSA-N 1 3 327.428 2.550 20 0 EFADHO Cc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)c(C)cc1Br ZINC001205247373 1313258310 /nfs/dbraw/zinc/25/83/10/1313258310.db2.gz GHTSXUASIIALCP-INIZCTEOSA-N 1 3 341.293 2.742 20 0 EFADHO CC(C)=CCC[C@H](C)CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204862 1313262504 /nfs/dbraw/zinc/26/25/04/1313262504.db2.gz JTBBKGNESNKEDQ-SFHVURJKSA-N 1 3 348.535 2.843 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)cs1 ZINC000960130446 1296490079 /nfs/dbraw/zinc/49/00/79/1296490079.db2.gz HMKGXYPKANGMOE-QAPCUYQASA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC000960130036 1296490177 /nfs/dbraw/zinc/49/01/77/1296490177.db2.gz DZNQZDGRHDDSCM-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000960132219 1296491199 /nfs/dbraw/zinc/49/11/99/1296491199.db2.gz ULTOCLRDATWEPT-XLIONFOSSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC000960132269 1296491459 /nfs/dbraw/zinc/49/14/59/1296491459.db2.gz VENSUTDPVRLNIZ-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1C ZINC000960150733 1296512872 /nfs/dbraw/zinc/51/28/72/1296512872.db2.gz MIIFVAISVWEVNB-IBGZPJMESA-N 1 3 340.471 2.740 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209455 1313266573 /nfs/dbraw/zinc/26/65/73/1313266573.db2.gz PKGMBFMDHAMMTE-QZTJIDSGSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209455 1313266577 /nfs/dbraw/zinc/26/65/77/1313266577.db2.gz PKGMBFMDHAMMTE-QZTJIDSGSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209456 1313266598 /nfs/dbraw/zinc/26/65/98/1313266598.db2.gz PKGMBFMDHAMMTE-ROUUACIJSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209456 1313266602 /nfs/dbraw/zinc/26/66/02/1313266602.db2.gz PKGMBFMDHAMMTE-ROUUACIJSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001017209430 1313267161 /nfs/dbraw/zinc/26/71/61/1313267161.db2.gz PDXCYHVVYOSZOP-ICSRJNTNSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001017209430 1313267164 /nfs/dbraw/zinc/26/71/64/1313267164.db2.gz PDXCYHVVYOSZOP-ICSRJNTNSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccsc2)CC1 ZINC000960168944 1296533945 /nfs/dbraw/zinc/53/39/45/1296533945.db2.gz ASJGQUUQRJPSPN-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205318935 1313269156 /nfs/dbraw/zinc/26/91/56/1313269156.db2.gz VXVRQOAYEGEEEE-RBUKOAKNSA-N 1 3 349.494 2.852 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1OC ZINC001235241196 1313271535 /nfs/dbraw/zinc/27/15/35/1313271535.db2.gz ZHKPWLFZYXHWHP-SFHVURJKSA-N 1 3 346.471 2.836 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CCN2CCCCCF)C1 ZINC001235263950 1313278415 /nfs/dbraw/zinc/27/84/15/1313278415.db2.gz YMMQPLKXGFRTDZ-ROUUACIJSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@@H]2CCN2CCCCCF)C1 ZINC001235263950 1313278418 /nfs/dbraw/zinc/27/84/18/1313278418.db2.gz YMMQPLKXGFRTDZ-ROUUACIJSA-N 1 3 341.515 2.637 20 0 EFADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235262487 1313278555 /nfs/dbraw/zinc/27/85/55/1313278555.db2.gz OYRLWXFNBZBIRB-LXORQPIJSA-N 1 3 335.536 2.853 20 0 EFADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235262487 1313278557 /nfs/dbraw/zinc/27/85/57/1313278557.db2.gz OYRLWXFNBZBIRB-LXORQPIJSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768171 1313278718 /nfs/dbraw/zinc/27/87/18/1313278718.db2.gz UJYGWLXZCFRVPW-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768171 1313278719 /nfs/dbraw/zinc/27/87/19/1313278719.db2.gz UJYGWLXZCFRVPW-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001049768754 1313279820 /nfs/dbraw/zinc/27/98/20/1313279820.db2.gz ZSFGMQYDSPDBHO-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCCC1 ZINC001049768754 1313279822 /nfs/dbraw/zinc/27/98/22/1313279822.db2.gz ZSFGMQYDSPDBHO-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CCc3cccs3)CC2)CCC1 ZINC001205457865 1313292832 /nfs/dbraw/zinc/29/28/32/1313292832.db2.gz SVWWKRXQWHDOSR-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001235335635 1313293557 /nfs/dbraw/zinc/29/35/57/1313293557.db2.gz LYGNCAHYRHOBCY-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001235335635 1313293560 /nfs/dbraw/zinc/29/35/60/1313293560.db2.gz LYGNCAHYRHOBCY-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC=C(Cl)Cl)CC1)C1CCC1 ZINC001205469394 1313295306 /nfs/dbraw/zinc/29/53/06/1313295306.db2.gz BOCYZTQTYUXXPK-UHFFFAOYSA-N 1 3 348.318 2.618 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001201321402 1296725265 /nfs/dbraw/zinc/72/52/65/1296725265.db2.gz JSWCFAOZXBQDPD-ZRDIBKRKSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001201321402 1296725273 /nfs/dbraw/zinc/72/52/73/1296725273.db2.gz JSWCFAOZXBQDPD-ZRDIBKRKSA-N 1 3 336.307 2.616 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]1CC1(C)C ZINC001413011037 1296724672 /nfs/dbraw/zinc/72/46/72/1296724672.db2.gz LVLCBUYVPIECMC-FGTMMUONSA-N 1 3 331.504 2.820 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001201326960 1296731178 /nfs/dbraw/zinc/73/11/78/1296731178.db2.gz FZTGRQPVRFJSAW-ZACQAIPSSA-N 1 3 335.536 2.734 20 0 EFADHO CCOc1cc(Br)cc(CN2CC[C@H](C3C[NH2+]C3)C2)c1 ZINC001235342211 1313297026 /nfs/dbraw/zinc/29/70/26/1313297026.db2.gz VCXDHATVQWCHFG-ZDUSSCGKSA-N 1 3 339.277 2.889 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001205492453 1313299251 /nfs/dbraw/zinc/29/92/51/1313299251.db2.gz AWEYGCNSKPEVCJ-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3ccsc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235353217 1313299397 /nfs/dbraw/zinc/29/93/97/1313299397.db2.gz WQUVSIWNVVTHQE-BBRMVZONSA-N 1 3 342.892 2.766 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC001413012330 1296771755 /nfs/dbraw/zinc/77/17/55/1296771755.db2.gz RHQFVNYZSYGCDX-UXHICEINSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC001413012330 1296771766 /nfs/dbraw/zinc/77/17/66/1296771766.db2.gz RHQFVNYZSYGCDX-UXHICEINSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccccc1C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000925118208 1296800563 /nfs/dbraw/zinc/80/05/63/1296800563.db2.gz RQPHMCIKMXUUPF-GOSISDBHSA-N 1 3 328.456 2.918 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C[C@H](C)O1 ZINC000925439570 1296837387 /nfs/dbraw/zinc/83/73/87/1296837387.db2.gz MTGAZPSNTGFPFW-PIKOESSRSA-N 1 3 348.535 2.610 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205545828 1313309730 /nfs/dbraw/zinc/30/97/30/1313309730.db2.gz NRXPHSMAQWFEEY-GOSISDBHSA-N 1 3 338.423 2.525 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017265951 1313309936 /nfs/dbraw/zinc/30/99/36/1313309936.db2.gz MWKIUJYUQOQOAU-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017265951 1313309939 /nfs/dbraw/zinc/30/99/39/1313309939.db2.gz MWKIUJYUQOQOAU-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO CCC(CC)C[NH2+]CC1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001205549656 1313310749 /nfs/dbraw/zinc/31/07/49/1313310749.db2.gz YLVVPYSDXNTNJC-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO Clc1ccc(CN2CCC(N[C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925515553 1296847333 /nfs/dbraw/zinc/84/73/33/1296847333.db2.gz UISIPDSLZIENIY-GYWCDFCBSA-N 1 3 345.918 2.890 20 0 EFADHO CCOc1ccc(C2(CN[C@@H]3CCC[NH2+][C@H]3C)CCOCC2)cc1 ZINC000925555912 1296851033 /nfs/dbraw/zinc/85/10/33/1296851033.db2.gz DOQVMYSIRUGORC-QFBILLFUSA-N 1 3 332.488 2.864 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1 ZINC001235402955 1313313045 /nfs/dbraw/zinc/31/30/45/1313313045.db2.gz KIIONUXQFSTURI-QUCCMNQESA-N 1 3 348.462 2.819 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1 ZINC001235402955 1313313049 /nfs/dbraw/zinc/31/30/49/1313313049.db2.gz KIIONUXQFSTURI-QUCCMNQESA-N 1 3 348.462 2.819 20 0 EFADHO FC(F)(F)C1CCN(C2CC(N[C@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000925663210 1296867237 /nfs/dbraw/zinc/86/72/37/1296867237.db2.gz QFSFRDYUMJRMOY-NRXISQOPSA-N 1 3 331.426 2.666 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC001205562646 1313313673 /nfs/dbraw/zinc/31/36/73/1313313673.db2.gz ZMNMSSNORREJDH-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235407773 1313314782 /nfs/dbraw/zinc/31/47/82/1313314782.db2.gz TYOBBEOUQQHYEW-MDASCCDHSA-N 1 3 334.435 2.617 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001235407773 1313314784 /nfs/dbraw/zinc/31/47/84/1313314784.db2.gz TYOBBEOUQQHYEW-MDASCCDHSA-N 1 3 334.435 2.617 20 0 EFADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423320 1313318100 /nfs/dbraw/zinc/31/81/00/1313318100.db2.gz FXTPAGUNTMRMJJ-LSDHHAIUSA-N 1 3 328.460 2.783 20 0 EFADHO CCC(CC)CN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201525207 1296912700 /nfs/dbraw/zinc/91/27/00/1296912700.db2.gz CIGIMSHQWQEJJV-UHFFFAOYSA-N 1 3 349.523 2.532 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]C(C)C)C1 ZINC001205630031 1313326303 /nfs/dbraw/zinc/32/63/03/1313326303.db2.gz MSPAPLCZLFXRDT-FUHWJXTLSA-N 1 3 349.494 2.848 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(C)C)C1 ZINC001205664182 1313333381 /nfs/dbraw/zinc/33/33/81/1313333381.db2.gz LOOSNTZNJHCRLB-PKOBYXMFSA-N 1 3 349.494 2.708 20 0 EFADHO Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C[C@H]([NH3+])Cc2ccccc2)o1 ZINC001235491890 1313335686 /nfs/dbraw/zinc/33/56/86/1313335686.db2.gz RXXJYKZRUBOCGN-NRSPTQNISA-N 1 3 339.483 2.807 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477122 1297064826 /nfs/dbraw/zinc/06/48/26/1297064826.db2.gz GYPPNVFOENWZQG-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477122 1297064838 /nfs/dbraw/zinc/06/48/38/1297064838.db2.gz GYPPNVFOENWZQG-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960480866 1297076912 /nfs/dbraw/zinc/07/69/12/1297076912.db2.gz UGIDLWHIIKPBCW-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960480866 1297076925 /nfs/dbraw/zinc/07/69/25/1297076925.db2.gz UGIDLWHIIKPBCW-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000960480928 1297078163 /nfs/dbraw/zinc/07/81/63/1297078163.db2.gz UTYIRGRPGDQNIE-RTBURBONSA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000960480928 1297078178 /nfs/dbraw/zinc/07/81/78/1297078178.db2.gz UTYIRGRPGDQNIE-RTBURBONSA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960484913 1297084505 /nfs/dbraw/zinc/08/45/05/1297084505.db2.gz BUWZVCBIMAUPOE-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960484913 1297084518 /nfs/dbraw/zinc/08/45/18/1297084518.db2.gz BUWZVCBIMAUPOE-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960484909 1297084756 /nfs/dbraw/zinc/08/47/56/1297084756.db2.gz BUWZVCBIMAUPOE-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960484909 1297084773 /nfs/dbraw/zinc/08/47/73/1297084773.db2.gz BUWZVCBIMAUPOE-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960486115 1297088879 /nfs/dbraw/zinc/08/88/79/1297088879.db2.gz HMDSLFNRNGGZNA-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960486115 1297088893 /nfs/dbraw/zinc/08/88/93/1297088893.db2.gz HMDSLFNRNGGZNA-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO O=C1C[C@@]2(CCN(CC[C@H]3CCCC[NH2+]3)C2)CN1c1ccc(F)cc1 ZINC001235525268 1313344303 /nfs/dbraw/zinc/34/43/03/1313344303.db2.gz HZYCVPQBOHFRJE-YLJYHZDGSA-N 1 3 345.462 2.787 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC000960491324 1297101271 /nfs/dbraw/zinc/10/12/71/1297101271.db2.gz ZWFDRNHYDYEGOC-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC000960491324 1297101273 /nfs/dbraw/zinc/10/12/73/1297101273.db2.gz ZWFDRNHYDYEGOC-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205726846 1313345512 /nfs/dbraw/zinc/34/55/12/1313345512.db2.gz YKMIRIVQSDIBQA-FQEVSTJZSA-N 1 3 326.440 2.735 20 0 EFADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205726846 1313345517 /nfs/dbraw/zinc/34/55/17/1313345517.db2.gz YKMIRIVQSDIBQA-FQEVSTJZSA-N 1 3 326.440 2.735 20 0 EFADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2C[C@H](N)Cc2ccccc2)O1 ZINC001235586856 1313355346 /nfs/dbraw/zinc/35/53/46/1313355346.db2.gz DAOAPLBCJBWUJV-XRXFAXGQSA-N 1 3 346.515 2.851 20 0 EFADHO CC(C)COC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C[C@H](N)Cc2ccccc2)O1 ZINC001235586856 1313355348 /nfs/dbraw/zinc/35/53/48/1313355348.db2.gz DAOAPLBCJBWUJV-XRXFAXGQSA-N 1 3 346.515 2.851 20 0 EFADHO COCC(COC)[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000929847641 1297212649 /nfs/dbraw/zinc/21/26/49/1297212649.db2.gz MQHBKDJGCZZRCA-ICSRJNTNSA-N 1 3 332.488 2.634 20 0 EFADHO COCC(COC)[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000929847641 1297212652 /nfs/dbraw/zinc/21/26/52/1297212652.db2.gz MQHBKDJGCZZRCA-ICSRJNTNSA-N 1 3 332.488 2.634 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001202178757 1297272926 /nfs/dbraw/zinc/27/29/26/1297272926.db2.gz OUPZFGATHXXJDY-ABZBSAQLSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001202178757 1297272934 /nfs/dbraw/zinc/27/29/34/1297272934.db2.gz OUPZFGATHXXJDY-ABZBSAQLSA-N 1 3 348.318 2.616 20 0 EFADHO Fc1cccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001235669765 1313370537 /nfs/dbraw/zinc/37/05/37/1313370537.db2.gz JSWGUKUQUYUGQT-UHFFFAOYSA-N 1 3 331.479 2.723 20 0 EFADHO COc1cc(CN(C)Cc2ccc3c(c2)CC[NH2+]C3)cc(OC)c1 ZINC001235663364 1313369693 /nfs/dbraw/zinc/36/96/93/1313369693.db2.gz GXEMJGNIBCXTCC-UHFFFAOYSA-N 1 3 326.440 2.982 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)C1 ZINC001049841059 1313373045 /nfs/dbraw/zinc/37/30/45/1313373045.db2.gz QHKDJTPSFUQJJZ-KBAYOESNSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)C1 ZINC001049841059 1313373046 /nfs/dbraw/zinc/37/30/46/1313373046.db2.gz QHKDJTPSFUQJJZ-KBAYOESNSA-N 1 3 347.528 2.655 20 0 EFADHO CCC[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000903898693 1313376567 /nfs/dbraw/zinc/37/65/67/1313376567.db2.gz NKIPRGKLXPJFJF-IAGOWNOFSA-N 1 3 325.447 2.955 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC000960666200 1297391580 /nfs/dbraw/zinc/39/15/80/1297391580.db2.gz APAJDCSYUPFOFL-RTBURBONSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC000960666319 1297391919 /nfs/dbraw/zinc/39/19/19/1297391919.db2.gz BXPBGJVYJBCTID-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC000960666319 1297391930 /nfs/dbraw/zinc/39/19/30/1297391930.db2.gz BXPBGJVYJBCTID-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)C1CCC1 ZINC000960666153 1297392577 /nfs/dbraw/zinc/39/25/77/1297392577.db2.gz AAWWUZPKCDKKLJ-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)C1CCC1 ZINC000960666153 1297392588 /nfs/dbraw/zinc/39/25/88/1297392588.db2.gz AAWWUZPKCDKKLJ-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000960666638 1297393096 /nfs/dbraw/zinc/39/30/96/1297393096.db2.gz CULMIAHOPTUVMT-LJQANCHMSA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000960666638 1297393103 /nfs/dbraw/zinc/39/31/03/1297393103.db2.gz CULMIAHOPTUVMT-LJQANCHMSA-N 1 3 329.488 2.594 20 0 EFADHO CC(C)(NCc1cccc2c1CC[NH2+]C2)C(=O)NCC1CCCC1 ZINC000903903543 1313383638 /nfs/dbraw/zinc/38/36/38/1313383638.db2.gz VJCAIZLCRPBKGF-UHFFFAOYSA-N 1 3 329.488 2.507 20 0 EFADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727652 1313384351 /nfs/dbraw/zinc/38/43/51/1313384351.db2.gz YTUREGPDAWEMBT-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849064 1313384439 /nfs/dbraw/zinc/38/44/39/1313384439.db2.gz NDBHMYHRFPSHPF-KKUMJFAQSA-N 1 3 336.455 2.501 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849064 1313384442 /nfs/dbraw/zinc/38/44/42/1313384442.db2.gz NDBHMYHRFPSHPF-KKUMJFAQSA-N 1 3 336.455 2.501 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)cs1 ZINC000960683497 1297417275 /nfs/dbraw/zinc/41/72/75/1297417275.db2.gz RKKWONIQVIIJAY-MSOLQXFVSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC000960685782 1297420542 /nfs/dbraw/zinc/42/05/42/1297420542.db2.gz VYYDWHRNVPCAAH-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC000960685782 1297420545 /nfs/dbraw/zinc/42/05/45/1297420545.db2.gz VYYDWHRNVPCAAH-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC000960687662 1297421917 /nfs/dbraw/zinc/42/19/17/1297421917.db2.gz MDIZTDFPPDKIQJ-OALUTQOASA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850774 1313386518 /nfs/dbraw/zinc/38/65/18/1313386518.db2.gz UKHFGTMCOZXSQD-HOTGVXAUSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850774 1313386521 /nfs/dbraw/zinc/38/65/21/1313386521.db2.gz UKHFGTMCOZXSQD-HOTGVXAUSA-N 1 3 330.476 2.553 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851227 1313387306 /nfs/dbraw/zinc/38/73/06/1313387306.db2.gz WOHOLVFQISETQX-HRCADAONSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851227 1313387309 /nfs/dbraw/zinc/38/73/09/1313387309.db2.gz WOHOLVFQISETQX-HRCADAONSA-N 1 3 332.492 2.799 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000960711195 1297454882 /nfs/dbraw/zinc/45/48/82/1297454882.db2.gz OUEJXRNWABXXJT-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000960711195 1297454889 /nfs/dbraw/zinc/45/48/89/1297454889.db2.gz OUEJXRNWABXXJT-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(C)cc([C@@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903902484 1313382088 /nfs/dbraw/zinc/38/20/88/1313382088.db2.gz HOCQPRFXRAUBRS-IEBWSBKVSA-N 1 3 339.487 2.809 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960717176 1297469248 /nfs/dbraw/zinc/46/92/48/1297469248.db2.gz LIBFDXLXYWCAKI-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960717176 1297469250 /nfs/dbraw/zinc/46/92/50/1297469250.db2.gz LIBFDXLXYWCAKI-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852098 1313388334 /nfs/dbraw/zinc/38/83/34/1313388334.db2.gz ZYCWJKXHPUDKIQ-HZPDHXFCSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852098 1313388335 /nfs/dbraw/zinc/38/83/35/1313388335.db2.gz ZYCWJKXHPUDKIQ-HZPDHXFCSA-N 1 3 330.476 2.553 20 0 EFADHO C[NH+]1CCC(NC(=O)CN2CCC(C)(C)[C@H](c3ccccc3)C2)CC1 ZINC000933511188 1297490109 /nfs/dbraw/zinc/49/01/09/1297490109.db2.gz APWGBXLJIKVZBO-IBGZPJMESA-N 1 3 343.515 2.713 20 0 EFADHO C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908508 1313392878 /nfs/dbraw/zinc/39/28/78/1313392878.db2.gz KGZQAZNOVVCNDD-BHIYHBOVSA-N 1 3 339.487 2.656 20 0 EFADHO Cc1cncc(Br)c1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206022396 1313393128 /nfs/dbraw/zinc/39/31/28/1313393128.db2.gz CCWGHPSUPPVDIN-STQMWFEESA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903908510 1313393260 /nfs/dbraw/zinc/39/32/60/1313393260.db2.gz KGZQAZNOVVCNDD-NZSAHSFTSA-N 1 3 339.487 2.656 20 0 EFADHO Clc1ccc([C@@H]2C[NH2+]CCN2Cc2nc3c(s2)CNCC3)cc1 ZINC001235816007 1313403635 /nfs/dbraw/zinc/40/36/35/1313403635.db2.gz UABKIXIBFXJBIC-HNNXBMFYSA-N 1 3 348.903 2.589 20 0 EFADHO Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903913130 1313403841 /nfs/dbraw/zinc/40/38/41/1313403841.db2.gz NJOKBGHIEUYZOS-QRQLOZEOSA-N 1 3 339.487 2.889 20 0 EFADHO Cc1ccc([C@@H]2C[C@H](C)N(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903913131 1313403858 /nfs/dbraw/zinc/40/38/58/1313403858.db2.gz NJOKBGHIEUYZOS-QXAKKESOSA-N 1 3 339.487 2.889 20 0 EFADHO Fc1ccc(OC2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cn1 ZINC000903914673 1313406365 /nfs/dbraw/zinc/40/63/65/1313406365.db2.gz KJLYRHPJWQSJLF-UHFFFAOYSA-N 1 3 341.430 2.910 20 0 EFADHO CN(CCC(=O)c1ccccc1)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235839542 1313407096 /nfs/dbraw/zinc/40/70/96/1313407096.db2.gz UPRIKGLYYJZTNF-UHFFFAOYSA-N 1 3 337.467 2.801 20 0 EFADHO Cc1ccc([C@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000903915766 1313408618 /nfs/dbraw/zinc/40/86/18/1313408618.db2.gz BWMALLFSOPWFTB-ZWKOTPCHSA-N 1 3 339.487 2.809 20 0 EFADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1CCC1CC[NH2+]CC1 ZINC001235867719 1313412600 /nfs/dbraw/zinc/41/26/00/1313412600.db2.gz RMTNBEQYMFSHRN-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001488656903 1297670270 /nfs/dbraw/zinc/67/02/70/1297670270.db2.gz TYLKDMZLHIPXSB-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960858800 1297705335 /nfs/dbraw/zinc/70/53/35/1297705335.db2.gz AFDVEIKVYNJJMO-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960858800 1297705347 /nfs/dbraw/zinc/70/53/47/1297705347.db2.gz AFDVEIKVYNJJMO-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860087 1297710817 /nfs/dbraw/zinc/71/08/17/1297710817.db2.gz DVYSMDIKHRCORB-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860087 1297710830 /nfs/dbraw/zinc/71/08/30/1297710830.db2.gz DVYSMDIKHRCORB-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960861693 1297714244 /nfs/dbraw/zinc/71/42/44/1297714244.db2.gz HCVQAHLOZMBPOS-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960861693 1297714249 /nfs/dbraw/zinc/71/42/49/1297714249.db2.gz HCVQAHLOZMBPOS-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC000960862504 1297714689 /nfs/dbraw/zinc/71/46/89/1297714689.db2.gz JMWLFVYSPICVFQ-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC000960862504 1297714693 /nfs/dbraw/zinc/71/46/93/1297714693.db2.gz JMWLFVYSPICVFQ-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001211256312 1314464452 /nfs/dbraw/zinc/46/44/52/1314464452.db2.gz CVTOUHOQBWIRDB-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960862564 1297716629 /nfs/dbraw/zinc/71/66/29/1297716629.db2.gz JPPOUFOWKOWBHV-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960862564 1297716642 /nfs/dbraw/zinc/71/66/42/1297716642.db2.gz JPPOUFOWKOWBHV-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO CN(Cc1ccsc1)C[C@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960866206 1297722748 /nfs/dbraw/zinc/72/27/48/1297722748.db2.gz SEWMPMKVGXUGKM-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CN(Cc1ccsc1)C[C@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960866206 1297722742 /nfs/dbraw/zinc/72/27/42/1297722742.db2.gz SEWMPMKVGXUGKM-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CC[N@H+](CC[C@H]1COC(C)(C)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235948214 1313421840 /nfs/dbraw/zinc/42/18/40/1313421840.db2.gz LQEDBRMJHWHFDC-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO CC[N@@H+](CC[C@H]1COC(C)(C)N1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235948214 1313421842 /nfs/dbraw/zinc/42/18/42/1313421842.db2.gz LQEDBRMJHWHFDC-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206273889 1313429176 /nfs/dbraw/zinc/42/91/76/1313429176.db2.gz CKGDNSMOVVZVCS-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206274970 1313429953 /nfs/dbraw/zinc/42/99/53/1313429953.db2.gz NJJOVQXFJWUNNU-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275692 1313430254 /nfs/dbraw/zinc/43/02/54/1313430254.db2.gz YIGWUGUHANIVJE-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914633 1297802022 /nfs/dbraw/zinc/80/20/22/1297802022.db2.gz UYHLZALBHFWENG-AEFFLSMTSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914633 1297802036 /nfs/dbraw/zinc/80/20/36/1297802036.db2.gz UYHLZALBHFWENG-AEFFLSMTSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001488858475 1297806501 /nfs/dbraw/zinc/80/65/01/1297806501.db2.gz MYLQAFJFAOETQK-QRFRQXIXSA-N 1 3 343.515 2.630 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCCC1 ZINC000960916745 1297808365 /nfs/dbraw/zinc/80/83/65/1297808365.db2.gz YFMCFVNJAVJHTQ-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCCC1 ZINC000960916745 1297808373 /nfs/dbraw/zinc/80/83/73/1297808373.db2.gz YFMCFVNJAVJHTQ-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO [NH3+][C@@H](CNCCCc1nc(-c2ccncc2)cs1)CC(F)F ZINC000903925158 1313426646 /nfs/dbraw/zinc/42/66/46/1313426646.db2.gz LCCBNVMMQHLKCH-GFCCVEGCSA-N 1 3 326.416 2.710 20 0 EFADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287779 1313432098 /nfs/dbraw/zinc/43/20/98/1313432098.db2.gz IIOGWPANSIRPBL-AATRIKPKSA-N 1 3 335.536 2.903 20 0 EFADHO CCOC(=O)[C@]12CN(CC[C@@H](C)c3ccc(C)o3)C[C@H]1C[NH2+]CC2 ZINC001236037345 1313432381 /nfs/dbraw/zinc/43/23/81/1313432381.db2.gz GSFQOQIQOVOAPU-IDHHARJASA-N 1 3 334.460 2.556 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001206302098 1313432533 /nfs/dbraw/zinc/43/25/33/1313432533.db2.gz RZBLRRJXQLGPAT-UHFFFAOYSA-N 1 3 345.531 2.993 20 0 EFADHO CC[C@@H](C)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206302429 1313432707 /nfs/dbraw/zinc/43/27/07/1313432707.db2.gz YSQSGUYKKXVOJD-MRXNPFEDSA-N 1 3 325.541 2.839 20 0 EFADHO CCOC(=O)[C@]12CN(CC[C@H](C)c3ccc(C)o3)C[C@H]1C[NH2+]CC2 ZINC001236037348 1313432887 /nfs/dbraw/zinc/43/28/87/1313432887.db2.gz GSFQOQIQOVOAPU-ZSZQSSIHSA-N 1 3 334.460 2.556 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1)CC(C)(C)C ZINC001206307915 1313433787 /nfs/dbraw/zinc/43/37/87/1313433787.db2.gz QRINDXYZGIEKDF-VMPITWQZSA-N 1 3 329.916 2.545 20 0 EFADHO c1ccc2c(c1)CCN1CCN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@H]21 ZINC001236060275 1313435520 /nfs/dbraw/zinc/43/55/20/1313435520.db2.gz NKNOBNCLSSQBIL-JOCHJYFZSA-N 1 3 333.479 2.747 20 0 EFADHO [NH3+]C1CN([C@H]2CCCN(CCc3ccc(Cl)cc3Cl)C2)C1 ZINC001236073740 1313437745 /nfs/dbraw/zinc/43/77/45/1313437745.db2.gz QGNPYLQYPWSXPP-HNNXBMFYSA-N 1 3 328.287 2.643 20 0 EFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3cccn3-c3ccc(Cl)cc3)C2)C1 ZINC001236071879 1313437897 /nfs/dbraw/zinc/43/78/97/1313437897.db2.gz BXYHNTRPDWFNKE-GOSISDBHSA-N 1 3 344.890 2.738 20 0 EFADHO Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073739 1313437938 /nfs/dbraw/zinc/43/79/38/1313437938.db2.gz QCMKWWGSDCIYBL-OAHLLOKOSA-N 1 3 343.393 2.501 20 0 EFADHO CCOc1ccc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc1CC ZINC001236081063 1313439609 /nfs/dbraw/zinc/43/96/09/1313439609.db2.gz XIHPBIBRSUZFEM-LJQANCHMSA-N 1 3 331.504 2.503 20 0 EFADHO CCOc1ccc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)cc1CC ZINC001236081062 1313440057 /nfs/dbraw/zinc/44/00/57/1313440057.db2.gz XIHPBIBRSUZFEM-IBGZPJMESA-N 1 3 331.504 2.503 20 0 EFADHO FC1(CN2CCN([C@@H]3CCCc4ccccc43)CC2)CC[NH2+]CC1 ZINC001236093285 1313440444 /nfs/dbraw/zinc/44/04/44/1313440444.db2.gz UKDLNEJIUVLLTD-LJQANCHMSA-N 1 3 331.479 2.773 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001049894665 1313447639 /nfs/dbraw/zinc/44/76/39/1313447639.db2.gz GRMYCHXIPSGWNA-RCCFBDPRSA-N 1 3 347.528 2.574 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001049894665 1313447640 /nfs/dbraw/zinc/44/76/40/1313447640.db2.gz GRMYCHXIPSGWNA-RCCFBDPRSA-N 1 3 347.528 2.574 20 0 EFADHO COc1ncc(CN(C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001206418113 1313450786 /nfs/dbraw/zinc/45/07/86/1313450786.db2.gz GIZRBWFEQWUPFS-UHFFFAOYSA-N 1 3 340.471 2.829 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000961010262 1298003195 /nfs/dbraw/zinc/00/31/95/1298003195.db2.gz LTPFMOYZEPFBAF-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000961010262 1298003207 /nfs/dbraw/zinc/00/32/07/1298003207.db2.gz LTPFMOYZEPFBAF-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017652295 1313455221 /nfs/dbraw/zinc/45/52/21/1313455221.db2.gz AOJYKZAYEFTZTO-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(Cc1ccccc1F)C1CC[NH+](CC[C@H]2COC(C)(C)N2)CC1 ZINC001236207662 1313455731 /nfs/dbraw/zinc/45/57/31/1313455731.db2.gz CDMRIPVQRSGWDX-KRWDZBQOSA-N 1 3 349.494 2.837 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961026755 1298022632 /nfs/dbraw/zinc/02/26/32/1298022632.db2.gz FZCSUKUXKCNVBD-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961026755 1298022643 /nfs/dbraw/zinc/02/26/43/1298022643.db2.gz FZCSUKUXKCNVBD-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961026174 1298023108 /nfs/dbraw/zinc/02/31/08/1298023108.db2.gz CUQVILJJOSFWKC-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961026174 1298023117 /nfs/dbraw/zinc/02/31/17/1298023117.db2.gz CUQVILJJOSFWKC-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC2)c1 ZINC000961027758 1298025754 /nfs/dbraw/zinc/02/57/54/1298025754.db2.gz OVJXJVUOMQGXLQ-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC2)c1 ZINC000961027758 1298025757 /nfs/dbraw/zinc/02/57/57/1298025757.db2.gz OVJXJVUOMQGXLQ-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961029240 1298029860 /nfs/dbraw/zinc/02/98/60/1298029860.db2.gz PZRADGMTSOWBBX-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961029240 1298029865 /nfs/dbraw/zinc/02/98/65/1298029865.db2.gz PZRADGMTSOWBBX-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961031499 1298036131 /nfs/dbraw/zinc/03/61/31/1298036131.db2.gz YDRPJAIDSLDYOG-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961031499 1298036140 /nfs/dbraw/zinc/03/61/40/1298036140.db2.gz YDRPJAIDSLDYOG-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961031785 1298036776 /nfs/dbraw/zinc/03/67/76/1298036776.db2.gz ZWZHPRBKLWKMGG-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961031785 1298036782 /nfs/dbraw/zinc/03/67/82/1298036782.db2.gz ZWZHPRBKLWKMGG-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033967 1298041213 /nfs/dbraw/zinc/04/12/13/1298041213.db2.gz KRTQCEXOONSJGU-MJGOQNOKSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033967 1298041216 /nfs/dbraw/zinc/04/12/16/1298041216.db2.gz KRTQCEXOONSJGU-MJGOQNOKSA-N 1 3 329.488 2.766 20 0 EFADHO CC(=O)OC[C@H]1CCC2(C1)CCN(CC[C@H]1COC(C)(C)[NH2+]1)CC2 ZINC001236321913 1313469352 /nfs/dbraw/zinc/46/93/52/1313469352.db2.gz HOXRWPHZGBVRJR-IRXDYDNUSA-N 1 3 338.492 2.546 20 0 EFADHO COC(=O)c1ccc2c(C[N@@H+]3CCCC[C@](C)(CN)C3)c[nH]c2c1 ZINC001206548136 1313474112 /nfs/dbraw/zinc/47/41/12/1313474112.db2.gz HKLGRLQBRBQYGP-LJQANCHMSA-N 1 3 329.444 2.905 20 0 EFADHO COC(=O)c1ccc2c(C[N@H+]3CCCC[C@](C)(CN)C3)c[nH]c2c1 ZINC001206548136 1313474116 /nfs/dbraw/zinc/47/41/16/1313474116.db2.gz HKLGRLQBRBQYGP-LJQANCHMSA-N 1 3 329.444 2.905 20 0 EFADHO C[C@]1(C[NH3+])CCCCN(Cc2ccccc2N2CCC(O)CC2)C1 ZINC001206549830 1313474440 /nfs/dbraw/zinc/47/44/40/1313474440.db2.gz QKVONWPRDZWZGN-HXUWFJFHSA-N 1 3 331.504 2.599 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049913089 1313474462 /nfs/dbraw/zinc/47/44/62/1313474462.db2.gz ALFNLJUEDZPTMP-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049913089 1313474464 /nfs/dbraw/zinc/47/44/64/1313474464.db2.gz ALFNLJUEDZPTMP-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO Nc1cccc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)n1 ZINC001236384883 1313475419 /nfs/dbraw/zinc/47/54/19/1313475419.db2.gz HSSVXAUNSPDGPT-UHFFFAOYSA-N 1 3 328.435 2.805 20 0 EFADHO COC(=O)[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC001236410804 1313476831 /nfs/dbraw/zinc/47/68/31/1313476831.db2.gz JZMYKYLXBMVCCL-PMACEKPBSA-N 1 3 338.451 2.641 20 0 EFADHO COC(=O)c1cccc2c(CN3CCCC[C@@](C)(C[NH3+])C3)c[nH]c21 ZINC001206563296 1313477018 /nfs/dbraw/zinc/47/70/18/1313477018.db2.gz BLJZHTUDTGAPDZ-IBGZPJMESA-N 1 3 329.444 2.905 20 0 EFADHO COc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)ccc1-n1ccnc1 ZINC001206565584 1313477579 /nfs/dbraw/zinc/47/75/79/1313477579.db2.gz UOHLPYRRGOGJJK-IBGZPJMESA-N 1 3 328.460 2.832 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2ccccc2-c2ccc(F)cc2)CC[C@@H]1N ZINC001236413128 1313477748 /nfs/dbraw/zinc/47/77/48/1313477748.db2.gz CUBCCPXYHSLXAA-OALUTQOASA-N 1 3 342.414 2.815 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2-c2ccc(F)cc2)CC[C@@H]1N ZINC001236413128 1313477749 /nfs/dbraw/zinc/47/77/49/1313477749.db2.gz CUBCCPXYHSLXAA-OALUTQOASA-N 1 3 342.414 2.815 20 0 EFADHO COC(=O)c1cc2cc(CN3CCCC[C@](C)(C[NH3+])C3)ccc2[nH]1 ZINC001206573189 1313478196 /nfs/dbraw/zinc/47/81/96/1313478196.db2.gz JJODPWGTQZGMJZ-LJQANCHMSA-N 1 3 329.444 2.905 20 0 EFADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206583673 1313479177 /nfs/dbraw/zinc/47/91/77/1313479177.db2.gz ZOMJCNICEJIZLT-PZJWPPBQSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206583673 1313479180 /nfs/dbraw/zinc/47/91/80/1313479180.db2.gz ZOMJCNICEJIZLT-PZJWPPBQSA-N 1 3 345.531 2.551 20 0 EFADHO O=C(c1ccccc1)[C@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001236434692 1313481011 /nfs/dbraw/zinc/48/10/11/1313481011.db2.gz UQDFDIPZMSSJFE-FQEVSTJZSA-N 1 3 349.478 2.801 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181181 1298259993 /nfs/dbraw/zinc/25/99/93/1298259993.db2.gz IUNQMLWKGRBGMA-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181181 1298259999 /nfs/dbraw/zinc/25/99/99/1298259999.db2.gz IUNQMLWKGRBGMA-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183322 1298266496 /nfs/dbraw/zinc/26/64/96/1298266496.db2.gz MIJDOLBUOGUPSW-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183322 1298266501 /nfs/dbraw/zinc/26/65/01/1298266501.db2.gz MIJDOLBUOGUPSW-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183277 1298266702 /nfs/dbraw/zinc/26/67/02/1298266702.db2.gz MFKHIVYTIDFSKE-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183277 1298266707 /nfs/dbraw/zinc/26/67/07/1298266707.db2.gz MFKHIVYTIDFSKE-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]CCc2ccccc2F)CC1 ZINC001206653599 1313488734 /nfs/dbraw/zinc/48/87/34/1313488734.db2.gz IELGAXISFJQOQY-UHFFFAOYSA-N 1 3 349.494 2.538 20 0 EFADHO c1c(CN2CCC(Nc3ccccn3)CC2)sc2c1C[NH2+]CC2 ZINC000903960391 1313493554 /nfs/dbraw/zinc/49/35/54/1313493554.db2.gz IFOPAPYQJCBDMJ-UHFFFAOYSA-N 1 3 328.485 2.865 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228174 1298366884 /nfs/dbraw/zinc/36/68/84/1298366884.db2.gz GBOZQUSIHITXML-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228174 1298366899 /nfs/dbraw/zinc/36/68/99/1298366899.db2.gz GBOZQUSIHITXML-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO COc1ccc(O[C@H]2CCCN(Cc3cccc(C[NH3+])c3)C2)nc1 ZINC001236623467 1313499653 /nfs/dbraw/zinc/49/96/53/1313499653.db2.gz UIPFRSUXJKMVOR-SFHVURJKSA-N 1 3 327.428 2.592 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236673 1298389788 /nfs/dbraw/zinc/38/97/88/1298389788.db2.gz YIESGPBCEUAGGE-DLBZAZTESA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236673 1298389799 /nfs/dbraw/zinc/38/97/99/1298389799.db2.gz YIESGPBCEUAGGE-DLBZAZTESA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cc(Cl)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)n1 ZINC001236652090 1313503752 /nfs/dbraw/zinc/50/37/52/1313503752.db2.gz ODUQEVAKBATKLI-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000961262047 1298444624 /nfs/dbraw/zinc/44/46/24/1298444624.db2.gz OBXVGPPPPVCULV-WOJBJXKFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000961262047 1298444627 /nfs/dbraw/zinc/44/46/27/1298444627.db2.gz OBXVGPPPPVCULV-WOJBJXKFSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262822 1298446057 /nfs/dbraw/zinc/44/60/57/1298446057.db2.gz QCPCJOKMXSXXJL-WOJBJXKFSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262822 1298446061 /nfs/dbraw/zinc/44/60/61/1298446061.db2.gz QCPCJOKMXSXXJL-WOJBJXKFSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291762 1298507686 /nfs/dbraw/zinc/50/76/86/1298507686.db2.gz IBUXQIGYNQVJJI-ROUUACIJSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291762 1298507698 /nfs/dbraw/zinc/50/76/98/1298507698.db2.gz IBUXQIGYNQVJJI-ROUUACIJSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001096605295 1313509777 /nfs/dbraw/zinc/50/97/77/1313509777.db2.gz HZTVKHGKATYCBQ-HOJAQTOUSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001096605295 1313509779 /nfs/dbraw/zinc/50/97/79/1313509779.db2.gz HZTVKHGKATYCBQ-HOJAQTOUSA-N 1 3 341.499 2.883 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961343934 1298582415 /nfs/dbraw/zinc/58/24/15/1298582415.db2.gz YBJBOPBYHLLNIE-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961343934 1298582425 /nfs/dbraw/zinc/58/24/25/1298582425.db2.gz YBJBOPBYHLLNIE-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961343928 1298582538 /nfs/dbraw/zinc/58/25/38/1298582538.db2.gz YBJBOPBYHLLNIE-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961343928 1298582549 /nfs/dbraw/zinc/58/25/49/1298582549.db2.gz YBJBOPBYHLLNIE-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961343931 1298582703 /nfs/dbraw/zinc/58/27/03/1298582703.db2.gz YBJBOPBYHLLNIE-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961343931 1298582710 /nfs/dbraw/zinc/58/27/10/1298582710.db2.gz YBJBOPBYHLLNIE-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017766786 1313518107 /nfs/dbraw/zinc/51/81/07/1313518107.db2.gz CONCDWNGTVWKIS-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903971743 1313518546 /nfs/dbraw/zinc/51/85/46/1313518546.db2.gz CSBYZGQNSPPPNB-RLLQIKCJSA-N 1 3 343.515 2.570 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961374274 1298641746 /nfs/dbraw/zinc/64/17/46/1298641746.db2.gz KQEAZCLVZFEHRG-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961374274 1298641756 /nfs/dbraw/zinc/64/17/56/1298641756.db2.gz KQEAZCLVZFEHRG-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961410399 1298704459 /nfs/dbraw/zinc/70/44/59/1298704459.db2.gz HDTNGKLPLDQBGO-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961410399 1298704469 /nfs/dbraw/zinc/70/44/69/1298704469.db2.gz HDTNGKLPLDQBGO-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411432 1298707676 /nfs/dbraw/zinc/70/76/76/1298707676.db2.gz NKDKOYSNDOQSMI-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411432 1298707682 /nfs/dbraw/zinc/70/76/82/1298707682.db2.gz NKDKOYSNDOQSMI-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCc2ccccc2F)CC1 ZINC001206890309 1313540996 /nfs/dbraw/zinc/54/09/96/1313540996.db2.gz LEWYANLVDFOCJG-UHFFFAOYSA-N 1 3 349.494 2.538 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206890550 1313541133 /nfs/dbraw/zinc/54/11/33/1313541133.db2.gz XLPKPKZDMXBKEC-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001206890538 1313541323 /nfs/dbraw/zinc/54/13/23/1313541323.db2.gz WQMRBQUXMIYHAM-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001206890395 1313541530 /nfs/dbraw/zinc/54/15/30/1313541530.db2.gz PNNUDSZBBUEBBW-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001206890613 1313541602 /nfs/dbraw/zinc/54/16/02/1313541602.db2.gz ZYKUNJAQZQRDJD-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO COc1cc(C)c(C)cc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001278019846 1313543530 /nfs/dbraw/zinc/54/35/30/1313543530.db2.gz AJMPSNAKEXJYDS-OALUTQOASA-N 1 3 331.504 2.522 20 0 EFADHO COc1cc(C)c(C)cc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001278019846 1313543534 /nfs/dbraw/zinc/54/35/34/1313543534.db2.gz AJMPSNAKEXJYDS-OALUTQOASA-N 1 3 331.504 2.522 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961441074 1298751777 /nfs/dbraw/zinc/75/17/77/1298751777.db2.gz NLIQWJADSWJROS-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961441074 1298751789 /nfs/dbraw/zinc/75/17/89/1298751789.db2.gz NLIQWJADSWJROS-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443338 1298754969 /nfs/dbraw/zinc/75/49/69/1298754969.db2.gz VMZCYTRXDUVYNL-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443338 1298754981 /nfs/dbraw/zinc/75/49/81/1298754981.db2.gz VMZCYTRXDUVYNL-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO CCCCC[NH+]1CCN(Cc2cccc(N3CCN(C)CC3)c2)CC1 ZINC001236897953 1313548292 /nfs/dbraw/zinc/54/82/92/1313548292.db2.gz HZMSIRIOQBOUIP-UHFFFAOYSA-N 1 3 344.547 2.746 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCc2ccsc2)CC1 ZINC001206929027 1313557701 /nfs/dbraw/zinc/55/77/01/1313557701.db2.gz REIQFBWPPUKNJV-UHFFFAOYSA-N 1 3 349.544 2.605 20 0 EFADHO COCCCN(Cc1ccc2c(c1)C(C(C)C)=NCC2)[C@@H]1CC[NH2+]C1 ZINC001236949346 1313559723 /nfs/dbraw/zinc/55/97/23/1313559723.db2.gz YQUSUAYYCKFEJJ-LJQANCHMSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]CCC3CC3)CC2)c1 ZINC001206949128 1313567197 /nfs/dbraw/zinc/56/71/97/1313567197.db2.gz RLYGGXFTFOGLNH-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001206952599 1313569214 /nfs/dbraw/zinc/56/92/14/1313569214.db2.gz WBBOLEHFXHMGHO-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001206952354 1313569290 /nfs/dbraw/zinc/56/92/90/1313569290.db2.gz LQGCWVUDZKBAPB-YFHOEESVSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953418 1313569420 /nfs/dbraw/zinc/56/94/20/1313569420.db2.gz JEVMTCPWGSQNRC-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001206954500 1313570380 /nfs/dbraw/zinc/57/03/80/1313570380.db2.gz LGVHYSTYZWQEQL-QRVBRYPASA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)cc1 ZINC001490577235 1298995371 /nfs/dbraw/zinc/99/53/71/1298995371.db2.gz XFXYFLNNSJCIAE-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC001278047784 1313580304 /nfs/dbraw/zinc/58/03/04/1313580304.db2.gz HLVYLFLILSQZEQ-FPOVZHCZSA-N 1 3 345.531 2.775 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC001278047784 1313580307 /nfs/dbraw/zinc/58/03/07/1313580307.db2.gz HLVYLFLILSQZEQ-FPOVZHCZSA-N 1 3 345.531 2.775 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001278048394 1313580753 /nfs/dbraw/zinc/58/07/53/1313580753.db2.gz ODDVWZWYXFRWBU-XVLXNVKGSA-N 1 3 331.504 2.572 20 0 EFADHO CC1CC(C[NH2+][C@@H](CNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001490664503 1299108793 /nfs/dbraw/zinc/10/87/93/1299108793.db2.gz LGKZAENUSQFHRM-HTWSVDAQSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)c1 ZINC001490709673 1299118425 /nfs/dbraw/zinc/11/84/25/1299118425.db2.gz KDYLZCHCAKCBTL-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)(C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC000961837836 1299152223 /nfs/dbraw/zinc/15/22/23/1299152223.db2.gz JNYALRNEQXQQHU-UHFFFAOYSA-N 1 3 343.515 2.936 20 0 EFADHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110616902 1299163833 /nfs/dbraw/zinc/16/38/33/1299163833.db2.gz VGKYPZIXDSBMLM-TVFCKZIOSA-N 1 3 341.515 2.968 20 0 EFADHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110616902 1299163836 /nfs/dbraw/zinc/16/38/36/1299163836.db2.gz VGKYPZIXDSBMLM-TVFCKZIOSA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000961943275 1299260192 /nfs/dbraw/zinc/26/01/92/1299260192.db2.gz GKXCBCTWQVUBMD-HCXYKTFWSA-N 1 3 347.547 2.732 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000961943275 1299260198 /nfs/dbraw/zinc/26/01/98/1299260198.db2.gz GKXCBCTWQVUBMD-HCXYKTFWSA-N 1 3 347.547 2.732 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000961945487 1299263072 /nfs/dbraw/zinc/26/30/72/1299263072.db2.gz NPGFRCBUWZZDPF-XDNAFOTISA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000961945487 1299263081 /nfs/dbraw/zinc/26/30/81/1299263081.db2.gz NPGFRCBUWZZDPF-XDNAFOTISA-N 1 3 347.528 2.557 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957412 1299272879 /nfs/dbraw/zinc/27/28/79/1299272879.db2.gz LFQQKWZAOKAJQD-IJXRJRJASA-N 1 3 345.531 2.798 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957412 1299272888 /nfs/dbraw/zinc/27/28/88/1299272888.db2.gz LFQQKWZAOKAJQD-IJXRJRJASA-N 1 3 345.531 2.798 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237222112 1313608912 /nfs/dbraw/zinc/60/89/12/1313608912.db2.gz ZNZKMVQSJZMSQK-HXUWFJFHSA-N 1 3 329.488 2.859 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000962258861 1299524272 /nfs/dbraw/zinc/52/42/72/1299524272.db2.gz BHFGPEPKGSAWKY-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000962258861 1299524281 /nfs/dbraw/zinc/52/42/81/1299524281.db2.gz BHFGPEPKGSAWKY-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cnc(-c2ccccc2)o1 ZINC001237364849 1313630619 /nfs/dbraw/zinc/63/06/19/1313630619.db2.gz WJBIISXURNNDMD-RBUKOAKNSA-N 1 3 340.471 2.552 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000962305986 1299566057 /nfs/dbraw/zinc/56/60/57/1299566057.db2.gz NPSHFHSXRAYDAP-ZRZPHAQCSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccccc2Cl)C1 ZINC000962305658 1299566504 /nfs/dbraw/zinc/56/65/04/1299566504.db2.gz KCBRUAYKWPBBSN-HPUBIQBYSA-N 1 3 349.906 2.809 20 0 EFADHO CCc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000962307456 1299568775 /nfs/dbraw/zinc/56/87/75/1299568775.db2.gz SIVRAXZOKAAQJT-PBPGXSGUSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000962307503 1299569347 /nfs/dbraw/zinc/56/93/47/1299569347.db2.gz ULZXZZVCLDWKKU-ZJRDLVKKSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000962308134 1299570277 /nfs/dbraw/zinc/57/02/77/1299570277.db2.gz ZQYKFODYDGYFIL-QHGAOEGBSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC000962307875 1299570300 /nfs/dbraw/zinc/57/03/00/1299570300.db2.gz YCIOBBOVQJAWNG-ZLPCBKJTSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)C1 ZINC000962309569 1299571472 /nfs/dbraw/zinc/57/14/72/1299571472.db2.gz NHZRACXOFSCLFK-IPJUCJBFSA-N 1 3 335.536 2.783 20 0 EFADHO CCc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000962310529 1299572755 /nfs/dbraw/zinc/57/27/55/1299572755.db2.gz XWAFKYDZZSQLSO-DZIBYMRMSA-N 1 3 343.515 2.575 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000962311276 1299572955 /nfs/dbraw/zinc/57/29/55/1299572955.db2.gz JHMMGRMTWUQTKW-UHFFFAOYSA-N 1 3 347.547 2.783 20 0 EFADHO CN1CC2(C1)CC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001207194884 1313634928 /nfs/dbraw/zinc/63/49/28/1313634928.db2.gz OSEQYAKWVGMMSY-UHFFFAOYSA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2coc3ccc(F)cc23)CCC12C[NH2+]C2 ZINC001237429403 1313642923 /nfs/dbraw/zinc/64/29/23/1313642923.db2.gz HNUJIKXYEWZIML-INIZCTEOSA-N 1 3 346.402 2.547 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001207246700 1313645830 /nfs/dbraw/zinc/64/58/30/1313645830.db2.gz DIKZBXFCGBZMBS-INIZCTEOSA-N 1 3 337.508 2.661 20 0 EFADHO Cc1ccc(O[C@H]2C[C@H]3CN(CC(C)(C)C[NH+](C)C)CCN3C2)cc1 ZINC001207282998 1313651823 /nfs/dbraw/zinc/65/18/23/1313651823.db2.gz ZYXTYFYYMHXWQU-ICSRJNTNSA-N 1 3 345.531 2.720 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280053 1313650882 /nfs/dbraw/zinc/65/08/82/1313650882.db2.gz SDRQIPIGGIYEMX-GOSISDBHSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280053 1313650885 /nfs/dbraw/zinc/65/08/85/1313650885.db2.gz SDRQIPIGGIYEMX-GOSISDBHSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001207280048 1313651050 /nfs/dbraw/zinc/65/10/50/1313651050.db2.gz MCLXHAGGMFSLGE-AZUAARDMSA-N 1 3 347.503 2.672 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001207280048 1313651051 /nfs/dbraw/zinc/65/10/51/1313651051.db2.gz MCLXHAGGMFSLGE-AZUAARDMSA-N 1 3 347.503 2.672 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000962597860 1299854672 /nfs/dbraw/zinc/85/46/72/1299854672.db2.gz MTRQWOJUTJQAAI-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001207285423 1313652955 /nfs/dbraw/zinc/65/29/55/1313652955.db2.gz JZJJNIAZTUKLGH-UHFFFAOYSA-N 1 3 327.513 2.953 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(C[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207310206 1313656671 /nfs/dbraw/zinc/65/66/71/1313656671.db2.gz FEQUWJCLBFQAIU-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(C[C@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207310206 1313656675 /nfs/dbraw/zinc/65/66/75/1313656675.db2.gz FEQUWJCLBFQAIU-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962729170 1299969495 /nfs/dbraw/zinc/96/94/95/1299969495.db2.gz CJJKIALPYCEOML-PMOLBWCYSA-N 1 3 343.515 2.844 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC000962729170 1299969505 /nfs/dbraw/zinc/96/95/05/1299969505.db2.gz CJJKIALPYCEOML-PMOLBWCYSA-N 1 3 343.515 2.844 20 0 EFADHO c1cc2cc(CN3CCC(COCC[NH+]4CCCC4)CC3)ccn2n1 ZINC001237548823 1313665679 /nfs/dbraw/zinc/66/56/79/1313665679.db2.gz ISMXZTROQFYXJW-UHFFFAOYSA-N 1 3 342.487 2.659 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)sc1C ZINC001276527040 1313668909 /nfs/dbraw/zinc/66/89/09/1313668909.db2.gz BOFURBSNTNDZEL-CALCHBBNSA-N 1 3 349.544 2.597 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)sc1C ZINC001276527040 1313668912 /nfs/dbraw/zinc/66/89/12/1313668912.db2.gz BOFURBSNTNDZEL-CALCHBBNSA-N 1 3 349.544 2.597 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111417137 1300158109 /nfs/dbraw/zinc/15/81/09/1300158109.db2.gz YVFXNFQHNPCEIL-QRVBRYPASA-N 1 3 333.520 2.940 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000963155988 1300377007 /nfs/dbraw/zinc/37/70/07/1300377007.db2.gz FMDMSEQVAVMZAF-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000963157617 1300379075 /nfs/dbraw/zinc/37/90/75/1300379075.db2.gz PEHVSYMVEVGNFF-TVPLGVNVSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1OC(C)C ZINC001237710457 1313695960 /nfs/dbraw/zinc/69/59/60/1313695960.db2.gz CEJWUVCWJLJBOP-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO C[NH+]1CCC(CCN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207487390 1313697967 /nfs/dbraw/zinc/69/79/67/1313697967.db2.gz ZNAGVCNRFKFQEW-UHFFFAOYSA-N 1 3 337.508 2.802 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CCC3CC3)C2)CCC1 ZINC000963314421 1300578371 /nfs/dbraw/zinc/57/83/71/1300578371.db2.gz LDAFQRVLIHKDHF-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CCC3CC3)C2)CCC1 ZINC000963314421 1300578378 /nfs/dbraw/zinc/57/83/78/1300578378.db2.gz LDAFQRVLIHKDHF-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315436 1300579906 /nfs/dbraw/zinc/57/99/06/1300579906.db2.gz SQJVQJADRNRPPG-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315436 1300579914 /nfs/dbraw/zinc/57/99/14/1300579914.db2.gz SQJVQJADRNRPPG-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314910 1300580130 /nfs/dbraw/zinc/58/01/30/1300580130.db2.gz PXIRTIZICZGCFJ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314910 1300580137 /nfs/dbraw/zinc/58/01/37/1300580137.db2.gz PXIRTIZICZGCFJ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CCCF)C2)CCC1 ZINC000963315200 1300581056 /nfs/dbraw/zinc/58/10/56/1300581056.db2.gz RIQUTTRCKDDXQU-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CCCF)C2)CCC1 ZINC000963315200 1300581059 /nfs/dbraw/zinc/58/10/59/1300581059.db2.gz RIQUTTRCKDDXQU-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359701 1300682767 /nfs/dbraw/zinc/68/27/67/1300682767.db2.gz ICWCMKOWGFLMLO-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359701 1300682776 /nfs/dbraw/zinc/68/27/76/1300682776.db2.gz ICWCMKOWGFLMLO-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001207551253 1313714444 /nfs/dbraw/zinc/71/44/44/1313714444.db2.gz YSKUMIBIDYBXGB-CDHQVMDDSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001207551253 1313714447 /nfs/dbraw/zinc/71/44/47/1313714447.db2.gz YSKUMIBIDYBXGB-CDHQVMDDSA-N 1 3 343.515 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)N(C)C ZINC001110693501 1300740010 /nfs/dbraw/zinc/74/00/10/1300740010.db2.gz LKSDUQOHFSNRKH-ZRNYENFQSA-N 1 3 343.515 2.537 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)N(C)C ZINC001110693501 1300740018 /nfs/dbraw/zinc/74/00/18/1300740018.db2.gz LKSDUQOHFSNRKH-ZRNYENFQSA-N 1 3 343.515 2.537 20 0 EFADHO CCC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278154545 1313719998 /nfs/dbraw/zinc/71/99/98/1313719998.db2.gz TVKROHYQTHOZEU-GOSISDBHSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(COC(=O)N4)CC3)cc21 ZINC001237890629 1313727517 /nfs/dbraw/zinc/72/75/17/1313727517.db2.gz ZVXKTZMLSZRFHB-UHFFFAOYSA-N 1 3 341.455 2.762 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC001207617350 1313729975 /nfs/dbraw/zinc/72/99/75/1313729975.db2.gz RNMBAQCWNRYSPU-FHLIZLRMSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001207617350 1313729976 /nfs/dbraw/zinc/72/99/76/1313729976.db2.gz RNMBAQCWNRYSPU-FHLIZLRMSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C)N(C)C ZINC001207649928 1313739389 /nfs/dbraw/zinc/73/93/89/1313739389.db2.gz NXQUNPQVXSKXEW-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C)N(C)C ZINC001207649928 1313739392 /nfs/dbraw/zinc/73/93/92/1313739392.db2.gz NXQUNPQVXSKXEW-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001096886294 1313739959 /nfs/dbraw/zinc/73/99/59/1313739959.db2.gz IOOAUESMJGVTAL-YEALCRIXSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001096886294 1313739962 /nfs/dbraw/zinc/73/99/62/1313739962.db2.gz IOOAUESMJGVTAL-YEALCRIXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001096886294 1313739965 /nfs/dbraw/zinc/73/99/65/1313739965.db2.gz IOOAUESMJGVTAL-YEALCRIXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001096886294 1313739969 /nfs/dbraw/zinc/73/99/69/1313739969.db2.gz IOOAUESMJGVTAL-YEALCRIXSA-N 1 3 339.483 2.516 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C)N(C)C ZINC001207650302 1313740447 /nfs/dbraw/zinc/74/04/47/1313740447.db2.gz YGMSLWJHLNXKPG-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C)N(C)C ZINC001207650302 1313740450 /nfs/dbraw/zinc/74/04/50/1313740450.db2.gz YGMSLWJHLNXKPG-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001278174103 1313742375 /nfs/dbraw/zinc/74/23/75/1313742375.db2.gz XFGCDUMIMDHOSG-UHFFFAOYSA-N 1 3 347.507 2.571 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)CC[C@@H](C)CCCC(C)(C)O ZINC001207671495 1313745936 /nfs/dbraw/zinc/74/59/36/1313745936.db2.gz ZVDYOMGUEWEWIP-KRWDZBQOSA-N 1 3 344.540 2.771 20 0 EFADHO C[NH+]1CCC2(CCCN([C@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000859291023 1301419742 /nfs/dbraw/zinc/41/97/42/1301419742.db2.gz DPVBGYQYBPSSHU-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000963912007 1301465940 /nfs/dbraw/zinc/46/59/40/1301465940.db2.gz CJRCKALXFNITCB-KKXNLOMOSA-N 1 3 343.515 2.888 20 0 EFADHO CCCC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502445 1301659045 /nfs/dbraw/zinc/65/90/45/1301659045.db2.gz CIAQFSFGFJMKTL-SFHVURJKSA-N 1 3 327.488 2.580 20 0 EFADHO C[NH+]1CCC(CN2CCN(CC3(c4ccccc4)CC3)CC2)CC1 ZINC001207840496 1313784900 /nfs/dbraw/zinc/78/49/00/1313784900.db2.gz JEYAIOYTBOCLEF-UHFFFAOYSA-N 1 3 327.516 2.678 20 0 EFADHO COc1cccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)c1 ZINC000860138022 1301721327 /nfs/dbraw/zinc/72/13/27/1301721327.db2.gz KPHJJFYVDOHWKR-QUCCMNQESA-N 1 3 332.488 2.925 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001202502602 1301731071 /nfs/dbraw/zinc/73/10/71/1301731071.db2.gz FRSVXTKTCRHTDI-LYLYKKCESA-N 1 3 345.890 2.532 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859866 1313790697 /nfs/dbraw/zinc/79/06/97/1313790697.db2.gz YVWPMDIENLGOIJ-PJHKVULZSA-N 1 3 333.520 2.798 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859866 1313790700 /nfs/dbraw/zinc/79/07/00/1313790700.db2.gz YVWPMDIENLGOIJ-PJHKVULZSA-N 1 3 333.520 2.798 20 0 EFADHO CC1(C)OC[C@H](C[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)O1 ZINC001207926765 1313803846 /nfs/dbraw/zinc/80/38/46/1313803846.db2.gz BVSUIURNEAJDPU-KRWDZBQOSA-N 1 3 334.460 2.719 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001208013654 1313825139 /nfs/dbraw/zinc/82/51/39/1313825139.db2.gz IZUJKWZRENGFFP-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001208073778 1313840897 /nfs/dbraw/zinc/84/08/97/1313840897.db2.gz OTWAIJOCJRNDTH-MELADBBJSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001208073778 1313840902 /nfs/dbraw/zinc/84/09/02/1313840902.db2.gz OTWAIJOCJRNDTH-MELADBBJSA-N 1 3 348.318 2.616 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208074312 1313841006 /nfs/dbraw/zinc/84/10/06/1313841006.db2.gz UKFQGQAXWKLLKF-UQJGCHFZSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208074312 1313841010 /nfs/dbraw/zinc/84/10/10/1313841010.db2.gz UKFQGQAXWKLLKF-UQJGCHFZSA-N 1 3 333.520 2.654 20 0 EFADHO COc1ccc(CN2CCN(CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC001208107076 1313848110 /nfs/dbraw/zinc/84/81/10/1313848110.db2.gz NMOJYADQWIZYOR-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@@H]1CCC(C)=C[C@H]1C)CC2 ZINC001208161763 1313858356 /nfs/dbraw/zinc/85/83/56/1313858356.db2.gz OBRRSRZKLAFDNR-MSOLQXFVSA-N 1 3 333.520 2.655 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@@H]1CCC(C)=C[C@H]1C)CC2 ZINC001208161763 1313858359 /nfs/dbraw/zinc/85/83/59/1313858359.db2.gz OBRRSRZKLAFDNR-MSOLQXFVSA-N 1 3 333.520 2.655 20 0 EFADHO CN(C)CC1(C[N@@H+]2CCc3ncnc(C4CC4)c3CC2)CCCC1 ZINC001208187519 1313864437 /nfs/dbraw/zinc/86/44/37/1313864437.db2.gz YGFAAQTVZIHOJY-UHFFFAOYSA-N 1 3 328.504 2.877 20 0 EFADHO CN(C)CC1(C[N@H+]2CCc3ncnc(C4CC4)c3CC2)CCCC1 ZINC001208187519 1313864438 /nfs/dbraw/zinc/86/44/38/1313864438.db2.gz YGFAAQTVZIHOJY-UHFFFAOYSA-N 1 3 328.504 2.877 20 0 EFADHO CN(C)CC1(C[NH+]2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)CCCC1 ZINC001208184831 1313863832 /nfs/dbraw/zinc/86/38/32/1313863832.db2.gz GTZKXIGBVHJWDM-PMACEKPBSA-N 1 3 342.531 2.567 20 0 EFADHO CC(=O)N1CCCCC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208191064 1313865248 /nfs/dbraw/zinc/86/52/48/1313865248.db2.gz KMIILSTXZVFOTL-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CCCC1 ZINC001208189868 1313865580 /nfs/dbraw/zinc/86/55/80/1313865580.db2.gz ZXBCRWJXZJTHFL-SFHVURJKSA-N 1 3 341.499 2.839 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CCCC1 ZINC001208189868 1313865584 /nfs/dbraw/zinc/86/55/84/1313865584.db2.gz ZXBCRWJXZJTHFL-SFHVURJKSA-N 1 3 341.499 2.839 20 0 EFADHO C[NH+](C)CC1(CN2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CCCC1 ZINC001208191623 1313866475 /nfs/dbraw/zinc/86/64/75/1313866475.db2.gz MJRQMIIHHFSDQK-UYAOXDASSA-N 1 3 336.520 2.768 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CC(C)(C)C2)C3)C1 ZINC000965061974 1302781937 /nfs/dbraw/zinc/78/19/37/1302781937.db2.gz GHILUWYYIUJHIA-RURAZLOXSA-N 1 3 347.547 2.781 20 0 EFADHO CC1CC(C[NH2+]C2CC3(CC(NC(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC000965061821 1302782623 /nfs/dbraw/zinc/78/26/23/1302782623.db2.gz FIQIHHCTEOBABS-UHFFFAOYSA-N 1 3 347.547 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000965063176 1302784896 /nfs/dbraw/zinc/78/48/96/1302784896.db2.gz LFUHGLKFSQRZBE-YUCHZMFVSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]Cc2ccsc2)C3)C1 ZINC000965063713 1302786073 /nfs/dbraw/zinc/78/60/73/1302786073.db2.gz LNMZWFKQSJFCTP-AEGNVBMISA-N 1 3 347.528 2.607 20 0 EFADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000965063704 1302786122 /nfs/dbraw/zinc/78/61/22/1302786122.db2.gz LKHZZCPLRUKYJH-LBOWEKIUSA-N 1 3 339.499 2.626 20 0 EFADHO CC1CC(C[NH2+]C2CC3(CC(NC(=O)CN4CCC[C@@H]4C)C3)C2)C1 ZINC000965065472 1302788885 /nfs/dbraw/zinc/78/88/85/1302788885.db2.gz XFKFWWVMSMPTLO-ABUJRPOTSA-N 1 3 333.520 2.534 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368749 1302878418 /nfs/dbraw/zinc/87/84/18/1302878418.db2.gz RVBUPVMWDZMVPN-SNMVWEBYSA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368749 1302878431 /nfs/dbraw/zinc/87/84/31/1302878431.db2.gz RVBUPVMWDZMVPN-SNMVWEBYSA-N 1 3 333.520 2.654 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114369099 1302879104 /nfs/dbraw/zinc/87/91/04/1302879104.db2.gz ZVQYCBWLMQZSJE-XDNAFOTISA-N 1 3 335.536 2.734 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114369099 1302879113 /nfs/dbraw/zinc/87/91/13/1302879113.db2.gz ZVQYCBWLMQZSJE-XDNAFOTISA-N 1 3 335.536 2.734 20 0 EFADHO CN(CCC[NH+](C)C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208232287 1313876741 /nfs/dbraw/zinc/87/67/41/1313876741.db2.gz KARQUKHPLFWECT-INIZCTEOSA-N 1 3 327.513 2.907 20 0 EFADHO CN(CCC[NH+](C)C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208232289 1313876915 /nfs/dbraw/zinc/87/69/15/1313876915.db2.gz KARQUKHPLFWECT-MRXNPFEDSA-N 1 3 327.513 2.907 20 0 EFADHO COC(=O)N1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000089145143 1313893375 /nfs/dbraw/zinc/89/33/75/1313893375.db2.gz JRNAYCWBJYGUAS-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404137 1303238378 /nfs/dbraw/zinc/23/83/78/1303238378.db2.gz CVSPMDAIZKCALJ-AWEZNQCLSA-N 1 3 349.466 2.999 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865412232 1303243038 /nfs/dbraw/zinc/24/30/38/1303243038.db2.gz LEDDZVZXJRCMGN-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1)C1CC1 ZINC001208334068 1313902244 /nfs/dbraw/zinc/90/22/44/1313902244.db2.gz DZMIBFRSHINANR-ROUUACIJSA-N 1 3 349.544 2.602 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)C1 ZINC001202517892 1303282134 /nfs/dbraw/zinc/28/21/34/1303282134.db2.gz CBXCCNBBBVGECD-UKTHLTGXSA-N 1 3 348.318 2.618 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)C1 ZINC001202517892 1303282137 /nfs/dbraw/zinc/28/21/37/1303282137.db2.gz CBXCCNBBBVGECD-UKTHLTGXSA-N 1 3 348.318 2.618 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001208335544 1313902972 /nfs/dbraw/zinc/90/29/72/1313902972.db2.gz VNQSCKIYWDUGND-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)C1CC1 ZINC001208335316 1313903114 /nfs/dbraw/zinc/90/31/14/1313903114.db2.gz RWYZQHALJYUKFW-VQTJNVASSA-N 1 3 343.515 2.540 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641326 1303345563 /nfs/dbraw/zinc/34/55/63/1303345563.db2.gz WFZVHKRPZIYBEL-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641326 1303345568 /nfs/dbraw/zinc/34/55/68/1303345568.db2.gz WFZVHKRPZIYBEL-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641326 1303345575 /nfs/dbraw/zinc/34/55/75/1303345575.db2.gz WFZVHKRPZIYBEL-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000865759789 1303389173 /nfs/dbraw/zinc/38/91/73/1303389173.db2.gz RHVIZJSWZRSIIF-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865759789 1303389180 /nfs/dbraw/zinc/38/91/80/1303389180.db2.gz RHVIZJSWZRSIIF-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000865759789 1303389188 /nfs/dbraw/zinc/38/91/88/1303389188.db2.gz RHVIZJSWZRSIIF-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC001239307378 1313924031 /nfs/dbraw/zinc/92/40/31/1313924031.db2.gz BDUMTOOIEGDFPF-ZDUSSCGKSA-N 1 3 342.846 2.627 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001208411499 1313923183 /nfs/dbraw/zinc/92/31/83/1313923183.db2.gz VVBNPEFHJSFKCW-ISQGKGGOSA-N 1 3 329.488 2.621 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001208425568 1313926561 /nfs/dbraw/zinc/92/65/61/1313926561.db2.gz NUVOWKOKCYJZCX-VQIMIIECSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)CCN(C(=O)Oc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001239340276 1313927023 /nfs/dbraw/zinc/92/70/23/1313927023.db2.gz OTQNNMMYSGAIBF-SFHVURJKSA-N 1 3 341.455 2.954 20 0 EFADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1Cl ZINC001239362786 1313929602 /nfs/dbraw/zinc/92/96/02/1313929602.db2.gz LRLZBHDIMYMDSO-GFCCVEGCSA-N 1 3 338.908 2.501 20 0 EFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001208444955 1313930350 /nfs/dbraw/zinc/93/03/50/1313930350.db2.gz MBXMWUWTMIVDEX-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001208447990 1313930925 /nfs/dbraw/zinc/93/09/25/1313930925.db2.gz SQGNAEMVWKJWDJ-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001208447989 1313930938 /nfs/dbraw/zinc/93/09/38/1313930938.db2.gz SQGNAEMVWKJWDJ-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO COc1cccc([C@@H](C)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447927 1313931081 /nfs/dbraw/zinc/93/10/81/1313931081.db2.gz SIKMCRXRRXGBTC-GPMSIDNRSA-N 1 3 347.503 2.535 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001208448208 1313931234 /nfs/dbraw/zinc/93/12/34/1313931234.db2.gz WURVXNAZQZSVCU-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001208453152 1313933174 /nfs/dbraw/zinc/93/31/74/1313933174.db2.gz BHWWRTPESDVEQA-HKUYNNGSSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001208453819 1313933343 /nfs/dbraw/zinc/93/33/43/1313933343.db2.gz OXQXNYZTOSDQPL-GOSISDBHSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001208453158 1313933400 /nfs/dbraw/zinc/93/34/00/1313933400.db2.gz BHWWRTPESDVEQA-PKOBYXMFSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001208454573 1313933427 /nfs/dbraw/zinc/93/34/27/1313933427.db2.gz YFEKETBXFDWODJ-KRWDZBQOSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001208454601 1313933508 /nfs/dbraw/zinc/93/35/08/1313933508.db2.gz YWSRZOLPHGPZKQ-INIZCTEOSA-N 1 3 337.533 2.867 20 0 EFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000866699573 1303753763 /nfs/dbraw/zinc/75/37/63/1303753763.db2.gz MJZWMGAIIPOSID-UHFFFAOYSA-N 1 3 327.831 2.882 20 0 EFADHO CC1(C)CCNCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000866699573 1303753765 /nfs/dbraw/zinc/75/37/65/1303753765.db2.gz MJZWMGAIIPOSID-UHFFFAOYSA-N 1 3 327.831 2.882 20 0 EFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000866699595 1303753860 /nfs/dbraw/zinc/75/38/60/1303753860.db2.gz NFNBOGPHHPODOC-GOSISDBHSA-N 1 3 329.488 2.644 20 0 EFADHO CC1(C)CCNCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000866699595 1303753865 /nfs/dbraw/zinc/75/38/65/1303753865.db2.gz NFNBOGPHHPODOC-GOSISDBHSA-N 1 3 329.488 2.644 20 0 EFADHO CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037858805 1303754079 /nfs/dbraw/zinc/75/40/79/1303754079.db2.gz YJNBGJZZMGAMGF-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N(CC)CC ZINC001208574557 1313965707 /nfs/dbraw/zinc/96/57/07/1313965707.db2.gz ADLFZNAZKBCUPM-MISYRCLQSA-N 1 3 345.531 2.786 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N(CC)CC ZINC001208574557 1313965710 /nfs/dbraw/zinc/96/57/10/1313965710.db2.gz ADLFZNAZKBCUPM-MISYRCLQSA-N 1 3 345.531 2.786 20 0 EFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000868183652 1304175398 /nfs/dbraw/zinc/17/53/98/1304175398.db2.gz OVVIMCKKXXUZCZ-RBUKOAKNSA-N 1 3 342.487 2.983 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(CC)CC ZINC001208575787 1313966363 /nfs/dbraw/zinc/96/63/63/1313966363.db2.gz VGROIFIGKHPTCJ-KBAYOESNSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(CC)CC ZINC001208575787 1313966366 /nfs/dbraw/zinc/96/63/66/1313966366.db2.gz VGROIFIGKHPTCJ-KBAYOESNSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 ZINC001208605251 1313974841 /nfs/dbraw/zinc/97/48/41/1313974841.db2.gz BFEPFDAUSDORJR-FRQCXROJSA-N 1 3 337.508 2.707 20 0 EFADHO C[N@H+]1CCC[C@H](CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 ZINC001208605251 1313974843 /nfs/dbraw/zinc/97/48/43/1313974843.db2.gz BFEPFDAUSDORJR-FRQCXROJSA-N 1 3 337.508 2.707 20 0 EFADHO COC(=O)c1ccc(OC2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208606931 1313976236 /nfs/dbraw/zinc/97/62/36/1313976236.db2.gz IXXOBXYXRLIUIP-INIZCTEOSA-N 1 3 346.471 2.658 20 0 EFADHO COC(=O)c1ccc(OC2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606931 1313976240 /nfs/dbraw/zinc/97/62/40/1313976240.db2.gz IXXOBXYXRLIUIP-INIZCTEOSA-N 1 3 346.471 2.658 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)C1 ZINC001208614060 1313979498 /nfs/dbraw/zinc/97/94/98/1313979498.db2.gz QTBFEAWXABOALM-BHIYHBOVSA-N 1 3 327.472 2.598 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)C1 ZINC001208614060 1313979502 /nfs/dbraw/zinc/97/95/02/1313979502.db2.gz QTBFEAWXABOALM-BHIYHBOVSA-N 1 3 327.472 2.598 20 0 EFADHO CC[NH+]1CCC(CN2CC[C@@H](n3cc(Br)cn3)C2)CC1 ZINC001208604414 1313975077 /nfs/dbraw/zinc/97/50/77/1313975077.db2.gz ONQXDZSVNBGSQX-OAHLLOKOSA-N 1 3 341.297 2.624 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C[C@@H]4CCCN(C)C4)C[C@@H]3C2)cc1 ZINC001208606262 1313975857 /nfs/dbraw/zinc/97/58/57/1313975857.db2.gz FAVNJHUFMKVEJV-NJYVYQBISA-N 1 3 327.516 2.700 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C[C@@H]4CCCN(C)C4)C[C@@H]3C2)cc1 ZINC001208606262 1313975859 /nfs/dbraw/zinc/97/58/59/1313975859.db2.gz FAVNJHUFMKVEJV-NJYVYQBISA-N 1 3 327.516 2.700 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCCN(C(=O)OC(C)(C)C)CCC2)C1 ZINC001208615941 1313980963 /nfs/dbraw/zinc/98/09/63/1313980963.db2.gz JAMQCZYGHDVLSG-MRXNPFEDSA-N 1 3 325.497 2.661 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCCN(C(=O)OC(C)(C)C)CCC2)C1 ZINC001208615941 1313980967 /nfs/dbraw/zinc/98/09/67/1313980967.db2.gz JAMQCZYGHDVLSG-MRXNPFEDSA-N 1 3 325.497 2.661 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001018636662 1313983589 /nfs/dbraw/zinc/98/35/89/1313983589.db2.gz WYHIHBWWTAGQFE-DOTOQJQBSA-N 1 3 343.496 2.686 20 0 EFADHO COC(=O)[C@H](C)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001208713251 1314000462 /nfs/dbraw/zinc/00/04/62/1314000462.db2.gz OCZBTIKPWMUKJG-WBVHZDCISA-N 1 3 334.460 2.765 20 0 EFADHO CCc1cccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c[nH]c21 ZINC001276580999 1314000688 /nfs/dbraw/zinc/00/06/88/1314000688.db2.gz OSEXNYNUCYBRRK-KDURUIRLSA-N 1 3 340.515 2.941 20 0 EFADHO CCc1cccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c[nH]c21 ZINC001276580999 1314000691 /nfs/dbraw/zinc/00/06/91/1314000691.db2.gz OSEXNYNUCYBRRK-KDURUIRLSA-N 1 3 340.515 2.941 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114443218 1304696985 /nfs/dbraw/zinc/69/69/85/1304696985.db2.gz XWNBSSBXSXEEJX-MANSERQUSA-N 1 3 349.563 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114443218 1304696992 /nfs/dbraw/zinc/69/69/92/1304696992.db2.gz XWNBSSBXSXEEJX-MANSERQUSA-N 1 3 349.563 2.835 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759906 1314010548 /nfs/dbraw/zinc/01/05/48/1314010548.db2.gz WHESIQIAVKEDDK-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759906 1314010549 /nfs/dbraw/zinc/01/05/49/1314010549.db2.gz WHESIQIAVKEDDK-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1csc(C)c1 ZINC001037931583 1304879375 /nfs/dbraw/zinc/87/93/75/1304879375.db2.gz FUSZNKWTWDUEDX-WBVHZDCISA-N 1 3 346.500 2.739 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001037935813 1304947337 /nfs/dbraw/zinc/94/73/37/1304947337.db2.gz SHYSGNKBFQHUPB-LPHOPBHVSA-N 1 3 340.471 2.678 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001037935136 1304972216 /nfs/dbraw/zinc/97/22/16/1304972216.db2.gz PEBTYLLCXABWDB-CRAIPNDOSA-N 1 3 344.434 2.508 20 0 EFADHO CN1CCN(Cc2ccc(-c3ccc([C@@H]4CCC[NH2+]4)cn3)cc2)CC1 ZINC001240389642 1314027530 /nfs/dbraw/zinc/02/75/30/1314027530.db2.gz HIGYEXNNEHRONP-FQEVSTJZSA-N 1 3 336.483 2.921 20 0 EFADHO C[C@H](C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1)C(F)(F)F ZINC001208886889 1314039486 /nfs/dbraw/zinc/03/94/86/1314039486.db2.gz FWNDNMJYNPNTMW-FVQBIDKESA-N 1 3 334.426 2.865 20 0 EFADHO C[C@H](C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1)C(F)(F)F ZINC001208886889 1314039488 /nfs/dbraw/zinc/03/94/88/1314039488.db2.gz FWNDNMJYNPNTMW-FVQBIDKESA-N 1 3 334.426 2.865 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037953936 1305271220 /nfs/dbraw/zinc/27/12/20/1305271220.db2.gz ZQHYRMAEBZJJPE-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CN1CCN(C2(c3ccc(-c4[nH+]ccc5c4CCN5)cc3)CC2)CC1 ZINC001240572581 1314049314 /nfs/dbraw/zinc/04/93/14/1314049314.db2.gz IHGBXAWIZNWYQQ-UHFFFAOYSA-N 1 3 334.467 2.953 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208933430 1314050459 /nfs/dbraw/zinc/05/04/59/1314050459.db2.gz VJGRSHDSSZUGQF-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208933430 1314050462 /nfs/dbraw/zinc/05/04/62/1314050462.db2.gz VJGRSHDSSZUGQF-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208933440 1314051076 /nfs/dbraw/zinc/05/10/76/1314051076.db2.gz VJGRSHDSSZUGQF-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208933440 1314051079 /nfs/dbraw/zinc/05/10/79/1314051079.db2.gz VJGRSHDSSZUGQF-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939964 1314051387 /nfs/dbraw/zinc/05/13/87/1314051387.db2.gz MLCWJSJWQYOGPH-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939964 1314051388 /nfs/dbraw/zinc/05/13/88/1314051388.db2.gz MLCWJSJWQYOGPH-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940570 1314053053 /nfs/dbraw/zinc/05/30/53/1314053053.db2.gz DTQNWXBSCKMGFZ-IAGOWNOFSA-N 1 3 342.405 2.755 20 0 EFADHO OC[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940570 1314053057 /nfs/dbraw/zinc/05/30/57/1314053057.db2.gz DTQNWXBSCKMGFZ-IAGOWNOFSA-N 1 3 342.405 2.755 20 0 EFADHO FC1CN(C2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208954471 1314058045 /nfs/dbraw/zinc/05/80/45/1314058045.db2.gz VOXVDONQSHBXOA-GOSISDBHSA-N 1 3 331.479 2.627 20 0 EFADHO FC1CN(C2CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208954471 1314058048 /nfs/dbraw/zinc/05/80/48/1314058048.db2.gz VOXVDONQSHBXOA-GOSISDBHSA-N 1 3 331.479 2.627 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1)N(C)C ZINC001202531668 1305569941 /nfs/dbraw/zinc/56/99/41/1305569941.db2.gz JZHALRATPLKHDD-AWEZNQCLSA-N 1 3 337.430 2.640 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000967926503 1305607432 /nfs/dbraw/zinc/60/74/32/1305607432.db2.gz XHQUDXQYGWNREJ-UXHICEINSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000870864787 1305638406 /nfs/dbraw/zinc/63/84/06/1305638406.db2.gz LZUWPXXCQATLEW-UAPYVXQJSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N2CCCC2)cc1 ZINC000870876077 1305647306 /nfs/dbraw/zinc/64/73/06/1305647306.db2.gz WSANEWONGQRSPW-CEXWTWQISA-N 1 3 329.488 2.766 20 0 EFADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(CC2CC(C)(C)C2)C1 ZINC001043232744 1305668076 /nfs/dbraw/zinc/66/80/76/1305668076.db2.gz TVTCEHLHGXTRGY-UHFFFAOYSA-N 1 3 326.444 2.527 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001043232744 1305668084 /nfs/dbraw/zinc/66/80/84/1305668084.db2.gz TVTCEHLHGXTRGY-UHFFFAOYSA-N 1 3 326.444 2.527 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[NH2+]CC3CC3)c2)CC1 ZINC000870911126 1305677833 /nfs/dbraw/zinc/67/78/33/1305677833.db2.gz FLXWGLIGRPWWMT-UHFFFAOYSA-N 1 3 344.503 2.545 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001018867360 1314072157 /nfs/dbraw/zinc/07/21/57/1314072157.db2.gz LQCQIBZKZDOJMQ-HYVNUMGLSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001018867360 1314072160 /nfs/dbraw/zinc/07/21/60/1314072160.db2.gz LQCQIBZKZDOJMQ-HYVNUMGLSA-N 1 3 349.906 2.679 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974658 1305721532 /nfs/dbraw/zinc/72/15/32/1305721532.db2.gz MWFYMNLSFIJQNL-QDMKHBRRSA-N 1 3 341.455 2.755 20 0 EFADHO COCCC[NH+]1CCC2(C[C@@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209050082 1314079993 /nfs/dbraw/zinc/07/99/93/1314079993.db2.gz OAABNUMSCXENDD-MRXNPFEDSA-N 1 3 338.517 2.840 20 0 EFADHO CC(C)Oc1cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1F ZINC001278321829 1314084952 /nfs/dbraw/zinc/08/49/52/1314084952.db2.gz NHEDOHGUWUSTLX-OALUTQOASA-N 1 3 349.494 2.823 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1nccc2ccccc21 ZINC001276614394 1314086674 /nfs/dbraw/zinc/08/66/74/1314086674.db2.gz BTKPSGVFFKHLQO-YQQQUEKLSA-N 1 3 338.499 2.881 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141478 1305954245 /nfs/dbraw/zinc/95/42/45/1305954245.db2.gz FNETVSBAHRQUER-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141478 1305954258 /nfs/dbraw/zinc/95/42/58/1305954258.db2.gz FNETVSBAHRQUER-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1ccc(CN2CC[C@H](C)[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000968188886 1305965495 /nfs/dbraw/zinc/96/54/95/1305965495.db2.gz DULVITFBHAVUKW-PXNSSMCTSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806864 1314685467 /nfs/dbraw/zinc/68/54/67/1314685467.db2.gz OMUDFCNGPFNTCW-APHBMKBZSA-N 1 3 338.293 2.536 20 0 EFADHO Cc1ncccc1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276623713 1314113686 /nfs/dbraw/zinc/11/36/86/1314113686.db2.gz YDEWMGJDJDLEMQ-MOPGFXCFSA-N 1 3 325.460 2.838 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001018971553 1314117262 /nfs/dbraw/zinc/11/72/62/1314117262.db2.gz GPYKMBOGXZMEJA-INIZCTEOSA-N 1 3 335.879 2.515 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2Cl)C1)C1CCC1 ZINC001018971740 1314117271 /nfs/dbraw/zinc/11/72/71/1314117271.db2.gz QGKHSOKNNRPLBS-INIZCTEOSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001018971598 1314117423 /nfs/dbraw/zinc/11/74/23/1314117423.db2.gz JTEPJIALMYQWKH-WMZOPIPTSA-N 1 3 329.488 2.731 20 0 EFADHO [NH3+]C1CCN(c2ccnc(C3=CCN(Cc4ccccc4)CC3)n2)CC1 ZINC001241501759 1314126716 /nfs/dbraw/zinc/12/67/16/1314126716.db2.gz BLDUYKALHQCBBW-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO c1ccc(CN2CC=C(c3ncccc3N3CC[NH2+]CC3)CC2)cc1 ZINC001241502416 1314126830 /nfs/dbraw/zinc/12/68/30/1314126830.db2.gz WMYNZBDMPVMONY-UHFFFAOYSA-N 1 3 334.467 2.781 20 0 EFADHO CC[NH+](CC)CCN1CCN(CCCCOCc2ccccc2)CC1 ZINC001209257100 1314127392 /nfs/dbraw/zinc/12/73/92/1314127392.db2.gz RJNRWHIHLVILHJ-UHFFFAOYSA-N 1 3 347.547 2.943 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC001019000894 1314127426 /nfs/dbraw/zinc/12/74/26/1314127426.db2.gz WPPVGSHTFGQZSY-RDJZCZTQSA-N 1 3 337.895 2.617 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922233 1306487408 /nfs/dbraw/zinc/48/74/08/1306487408.db2.gz VKAUHRRXMKHIDE-FKDFCKDISA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922233 1306487412 /nfs/dbraw/zinc/48/74/12/1306487412.db2.gz VKAUHRRXMKHIDE-FKDFCKDISA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017155450 1306496786 /nfs/dbraw/zinc/49/67/86/1306496786.db2.gz YNBYAMPAJJCSAE-SJLPKXTDSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017155450 1306496789 /nfs/dbraw/zinc/49/67/89/1306496789.db2.gz YNBYAMPAJJCSAE-SJLPKXTDSA-N 1 3 337.552 2.933 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)CC1 ZINC001209288648 1314131762 /nfs/dbraw/zinc/13/17/62/1314131762.db2.gz WZYJYDLYYIWEFR-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCCC2)C1 ZINC000968654973 1306539650 /nfs/dbraw/zinc/53/96/50/1306539650.db2.gz IXUZULZWPFRIKC-LPHOPBHVSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CN2CCCC2)C1 ZINC000968654973 1306539656 /nfs/dbraw/zinc/53/96/56/1306539656.db2.gz IXUZULZWPFRIKC-LPHOPBHVSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680917 1306562801 /nfs/dbraw/zinc/56/28/01/1306562801.db2.gz FDHJLUZBTQLAAI-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680917 1306562804 /nfs/dbraw/zinc/56/28/04/1306562804.db2.gz FDHJLUZBTQLAAI-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209302195 1314134618 /nfs/dbraw/zinc/13/46/18/1314134618.db2.gz DSOKOZWQFUXGJG-KDURUIRLSA-N 1 3 330.472 2.512 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209302195 1314134621 /nfs/dbraw/zinc/13/46/21/1314134621.db2.gz DSOKOZWQFUXGJG-KDURUIRLSA-N 1 3 330.472 2.512 20 0 EFADHO Cc1ccc(C[NH+]2C[C@@H]3CN(CCCC4OCCO4)C[C@H]3C2)cc1 ZINC001209302363 1314134868 /nfs/dbraw/zinc/13/48/68/1314134868.db2.gz DSOKOZWQFUXGJG-OALUTQOASA-N 1 3 330.472 2.512 20 0 EFADHO Cc1ccc(C[NH+]2C[C@H]3CN(CCCC4OCCO4)C[C@@H]3C2)cc1 ZINC001209302364 1314135058 /nfs/dbraw/zinc/13/50/58/1314135058.db2.gz DSOKOZWQFUXGJG-RTBURBONSA-N 1 3 330.472 2.512 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000968728372 1306600817 /nfs/dbraw/zinc/60/08/17/1306600817.db2.gz LQCQIBZKZDOJMQ-DJIMGWMZSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000968728372 1306600819 /nfs/dbraw/zinc/60/08/19/1306600819.db2.gz LQCQIBZKZDOJMQ-DJIMGWMZSA-N 1 3 349.906 2.679 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001209324274 1314139526 /nfs/dbraw/zinc/13/95/26/1314139526.db2.gz PFQJUTLVYYUHOT-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001209324713 1314139641 /nfs/dbraw/zinc/13/96/41/1314139641.db2.gz UDVMWLJMXATQSQ-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628663 1306672705 /nfs/dbraw/zinc/67/27/05/1306672705.db2.gz IQRQDXXJPVRJED-SJLPKXTDSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044630483 1306674198 /nfs/dbraw/zinc/67/41/98/1306674198.db2.gz WTNNZRYWQOFDPN-HKUYNNGSSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001019033155 1314143528 /nfs/dbraw/zinc/14/35/28/1314143528.db2.gz BHOUGQPNCGWUEJ-RVSPLBMKSA-N 1 3 339.430 2.557 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001019033393 1314143673 /nfs/dbraw/zinc/14/36/73/1314143673.db2.gz MDCNKRBCOFJCAQ-PKOBYXMFSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001019034937 1314143996 /nfs/dbraw/zinc/14/39/96/1314143996.db2.gz UHGDEQLLJJRIGK-RRQGHBQHSA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748835 1306770995 /nfs/dbraw/zinc/77/09/95/1306770995.db2.gz GAESULZEXVPVDS-PBHICJAKSA-N 1 3 344.434 2.591 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749655 1306771150 /nfs/dbraw/zinc/77/11/50/1306771150.db2.gz KFUFCDWVGWDQKV-SJORKVTESA-N 1 3 340.471 2.738 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750117 1306771749 /nfs/dbraw/zinc/77/17/49/1306771749.db2.gz MSSGIUTZPULUKX-XJKSGUPXSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751784 1306772932 /nfs/dbraw/zinc/77/29/32/1306772932.db2.gz VILARLZLEZEXHA-CJNGLKHVSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751782 1306773004 /nfs/dbraw/zinc/77/30/04/1306773004.db2.gz VILARLZLEZEXHA-BBRMVZONSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753191 1306774103 /nfs/dbraw/zinc/77/41/03/1306774103.db2.gz AMYXZLOUICAPIQ-RDJZCZTQSA-N 1 3 330.476 2.812 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CCC1 ZINC000968904517 1306779075 /nfs/dbraw/zinc/77/90/75/1306779075.db2.gz SPRVPOAWHXRZBO-IEBWSBKVSA-N 1 3 341.499 2.739 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000968912175 1306785918 /nfs/dbraw/zinc/78/59/18/1306785918.db2.gz BICKSAWNCUSCTJ-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000968915785 1306791061 /nfs/dbraw/zinc/79/10/61/1306791061.db2.gz QOYWJHNYUBQXEO-QZTJIDSGSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000968915785 1306791067 /nfs/dbraw/zinc/79/10/67/1306791067.db2.gz QOYWJHNYUBQXEO-QZTJIDSGSA-N 1 3 347.478 2.779 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916022 1306791281 /nfs/dbraw/zinc/79/12/81/1306791281.db2.gz WQGVSGZPZMZQHL-SJLPKXTDSA-N 1 3 347.528 2.846 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916022 1306791292 /nfs/dbraw/zinc/79/12/92/1306791292.db2.gz WQGVSGZPZMZQHL-SJLPKXTDSA-N 1 3 347.528 2.846 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000968922293 1306798630 /nfs/dbraw/zinc/79/86/30/1306798630.db2.gz VOXVXYOYXFYXJQ-MRXNPFEDSA-N 1 3 335.517 2.540 20 0 EFADHO C[NH+](C)CCNC(=O)c1ccc(-c2ccc3c(N)ccnc3c2)cc1 ZINC001241770722 1314147751 /nfs/dbraw/zinc/14/77/51/1314147751.db2.gz IMPRNIBGDAHLIH-UHFFFAOYSA-N 1 3 334.423 2.775 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C[C@H]2C)CC1 ZINC001044791477 1306804355 /nfs/dbraw/zinc/80/43/55/1306804355.db2.gz GXMSOXQWIQVHBF-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1)C1CCC1 ZINC000968927193 1306805672 /nfs/dbraw/zinc/80/56/72/1306805672.db2.gz VVXQCGDUDOZGDS-QGZVFWFLSA-N 1 3 349.906 2.557 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC000968926799 1306806760 /nfs/dbraw/zinc/80/67/60/1306806760.db2.gz NTSYHLGKDIHYIO-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000968990008 1306866313 /nfs/dbraw/zinc/86/63/13/1306866313.db2.gz PVRBFPLJUCFJLV-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC000968988870 1306866532 /nfs/dbraw/zinc/86/65/32/1306866532.db2.gz CPMXAZYVIRZTCW-RLLQIKCJSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044856659 1306867265 /nfs/dbraw/zinc/86/72/65/1306867265.db2.gz BHQCBMDKFIYEEF-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857193 1306867406 /nfs/dbraw/zinc/86/74/06/1306867406.db2.gz GCHGDFGPISSOIA-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044857205 1306867445 /nfs/dbraw/zinc/86/74/45/1306867445.db2.gz GFCXSTQDBXCPLH-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC001044857495 1306868377 /nfs/dbraw/zinc/86/83/77/1306868377.db2.gz KEOJVWJSTGXLOZ-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858093 1306868458 /nfs/dbraw/zinc/86/84/58/1306868458.db2.gz QAECGGBHNPNTJA-VQIMIIECSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1C ZINC001044858101 1306868553 /nfs/dbraw/zinc/86/85/53/1306868553.db2.gz QCLRGHBYSVXRTE-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858896 1306869009 /nfs/dbraw/zinc/86/90/09/1306869009.db2.gz WXFDMDOJGHAJPT-YJBOKZPZSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044859018 1306869156 /nfs/dbraw/zinc/86/91/56/1306869156.db2.gz YVNKQJVGCKDJNP-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1F ZINC001044858863 1306869647 /nfs/dbraw/zinc/86/96/47/1306869647.db2.gz WQDDUHZZTSUDGR-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968996230 1306872052 /nfs/dbraw/zinc/87/20/52/1306872052.db2.gz AMWVQZUSBGQUKD-SCTDSRPQSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044861842 1306872249 /nfs/dbraw/zinc/87/22/49/1306872249.db2.gz GSZYBXOJQBNHLV-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC000968996987 1306872883 /nfs/dbraw/zinc/87/28/83/1306872883.db2.gz WPPVGSHTFGQZSY-WBVHZDCISA-N 1 3 337.895 2.617 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)CC1 ZINC000969014409 1306889031 /nfs/dbraw/zinc/88/90/31/1306889031.db2.gz ZZSGYXOREGOQPD-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC000969074704 1306948509 /nfs/dbraw/zinc/94/85/09/1306948509.db2.gz PFBDEWRBMTWNME-NZSAHSFTSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC000969074747 1306948545 /nfs/dbraw/zinc/94/85/45/1306948545.db2.gz QZFXICTTYYLAQQ-BPQIPLTHSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC000969076573 1306949093 /nfs/dbraw/zinc/94/90/93/1306949093.db2.gz BHOUGQPNCGWUEJ-SUYBPPKGSA-N 1 3 339.430 2.557 20 0 EFADHO CCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000969077526 1306950920 /nfs/dbraw/zinc/95/09/20/1306950920.db2.gz VIMMIDMJPXGYSU-IEBWSBKVSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000969077254 1306951347 /nfs/dbraw/zinc/95/13/47/1306951347.db2.gz NEAOFQFTJDXSGW-RTBURBONSA-N 1 3 329.488 2.595 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044959570 1306955900 /nfs/dbraw/zinc/95/59/00/1306955900.db2.gz JEQYWCOKJXCJBA-ROUUACIJSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001044960079 1306956592 /nfs/dbraw/zinc/95/65/92/1306956592.db2.gz VDTRGMVROCXRRM-VQTJNVASSA-N 1 3 341.499 2.739 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001253209299 1315581171 /nfs/dbraw/zinc/58/11/71/1315581171.db2.gz DTRSDEKAIZPXGN-CQSZACIVSA-N 1 3 336.373 2.679 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001045067047 1307030249 /nfs/dbraw/zinc/03/02/49/1307030249.db2.gz DYKAZSABGWALGK-RBUKOAKNSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001045067463 1307030398 /nfs/dbraw/zinc/03/03/98/1307030398.db2.gz MIELJOYQPFSFRQ-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001045067342 1307030432 /nfs/dbraw/zinc/03/04/32/1307030432.db2.gz KYGXAHTUTKKORT-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001045067531 1307031655 /nfs/dbraw/zinc/03/16/55/1307031655.db2.gz ONWROKITLPTBRJ-HKUYNNGSSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001045068034 1307031828 /nfs/dbraw/zinc/03/18/28/1307031828.db2.gz ZVEZRZCIBDVFRQ-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001045069187 1307032725 /nfs/dbraw/zinc/03/27/25/1307032725.db2.gz VSKNQHKOHLNPHY-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001045070769 1307033470 /nfs/dbraw/zinc/03/34/70/1307033470.db2.gz UILWKFJNZFCKTB-RDJZCZTQSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001045070564 1307034143 /nfs/dbraw/zinc/03/41/43/1307034143.db2.gz KYFCVKKGKJJODC-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001045078191 1307036997 /nfs/dbraw/zinc/03/69/97/1307036997.db2.gz DQKJWQOSVBVYJT-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001045079670 1307037716 /nfs/dbraw/zinc/03/77/16/1307037716.db2.gz NXZCAQFPRQCJAI-HKUYNNGSSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001045090139 1307045566 /nfs/dbraw/zinc/04/55/66/1307045566.db2.gz VMDIRAVHVKRLBX-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1F ZINC001019087324 1314165252 /nfs/dbraw/zinc/16/52/52/1314165252.db2.gz NWTPMKKGMYLVCY-CVEARBPZSA-N 1 3 345.462 2.706 20 0 EFADHO CCC[C@H](COC)N(CCC[NH+]1CCCCC1)CCC(=O)OCC ZINC001209452706 1314166078 /nfs/dbraw/zinc/16/60/78/1314166078.db2.gz SEUSULPZLXPTIR-GOSISDBHSA-N 1 3 342.524 2.933 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001045170953 1307107076 /nfs/dbraw/zinc/10/70/76/1307107076.db2.gz KPSNQJVCLXPMQG-BQFCYCMXSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001045170953 1307107082 /nfs/dbraw/zinc/10/70/82/1307107082.db2.gz KPSNQJVCLXPMQG-BQFCYCMXSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(CN[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001209455883 1314166610 /nfs/dbraw/zinc/16/66/10/1314166610.db2.gz WQPGUMIZUSUHIO-INIZCTEOSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)c1 ZINC001045182078 1307117970 /nfs/dbraw/zinc/11/79/70/1307117970.db2.gz LIMVOKCTTIFYRR-SFHVURJKSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001045187055 1307122637 /nfs/dbraw/zinc/12/26/37/1307122637.db2.gz BKOBFNUUAVXRNR-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001045187842 1307123670 /nfs/dbraw/zinc/12/36/70/1307123670.db2.gz USYUIFXTHPUKQK-RBUKOAKNSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001045199517 1307134017 /nfs/dbraw/zinc/13/40/17/1307134017.db2.gz CNJNFMQWSLERDH-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001045200584 1307135709 /nfs/dbraw/zinc/13/57/09/1307135709.db2.gz HQQPBHQOIBPNAD-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c(C)c1 ZINC001045201191 1307135810 /nfs/dbraw/zinc/13/58/10/1307135810.db2.gz WSOGSECQRLKKFJ-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001045201241 1307135882 /nfs/dbraw/zinc/13/58/82/1307135882.db2.gz YZPWLKZABARSOD-LPHOPBHVSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001045203631 1307136626 /nfs/dbraw/zinc/13/66/26/1307136626.db2.gz HYFJVIZPQLSLKI-OALUTQOASA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001045204096 1307136687 /nfs/dbraw/zinc/13/66/87/1307136687.db2.gz VVGUPVSRVBSHMA-IRXDYDNUSA-N 1 3 337.533 2.786 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001045205256 1307136715 /nfs/dbraw/zinc/13/67/15/1307136715.db2.gz HTSRJWKYWDQMKX-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001045205236 1307136965 /nfs/dbraw/zinc/13/69/65/1307136965.db2.gz HCOHHKDAKFZUCV-RDJZCZTQSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001045251190 1307175749 /nfs/dbraw/zinc/17/57/49/1307175749.db2.gz IMFZTOWGCCYDSA-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001209485891 1314171644 /nfs/dbraw/zinc/17/16/44/1314171644.db2.gz TTWQBBCIIMNKTF-MYPZJPOHSA-N 1 3 343.515 2.867 20 0 EFADHO O=C(N1CCC[C@H]1CNCc1ccccc1Cl)C12CC[NH+](CC1)C2 ZINC001045275217 1307195876 /nfs/dbraw/zinc/19/58/76/1307195876.db2.gz VNLCASOZFNOXPV-INIZCTEOSA-N 1 3 347.890 2.516 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001045311439 1307229979 /nfs/dbraw/zinc/22/99/79/1307229979.db2.gz LRNIEYYDJJKIGT-CVEARBPZSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001045311439 1307229981 /nfs/dbraw/zinc/22/99/81/1307229981.db2.gz LRNIEYYDJJKIGT-CVEARBPZSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001045310916 1307230427 /nfs/dbraw/zinc/23/04/27/1307230427.db2.gz WIUKHPKAEOABMU-HOTGVXAUSA-N 1 3 333.451 2.563 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045312058 1307231226 /nfs/dbraw/zinc/23/12/26/1307231226.db2.gz VKGMBTCDEWABIL-SFHVURJKSA-N 1 3 333.520 2.633 20 0 EFADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001045312271 1307231290 /nfs/dbraw/zinc/23/12/90/1307231290.db2.gz YXYCREXVQAKLKA-SJORKVTESA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001045312271 1307231293 /nfs/dbraw/zinc/23/12/93/1307231293.db2.gz YXYCREXVQAKLKA-SJORKVTESA-N 1 3 349.906 2.681 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001045321095 1307239240 /nfs/dbraw/zinc/23/92/40/1307239240.db2.gz AIYDITFTXKVZDK-NLPFYKDJSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1nc(N)ccc1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276651369 1314179928 /nfs/dbraw/zinc/17/99/28/1314179928.db2.gz GSAAIPPESDCALJ-HDICACEKSA-N 1 3 339.487 2.644 20 0 EFADHO Cc1nc(N)ccc1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276651369 1314179931 /nfs/dbraw/zinc/17/99/31/1314179931.db2.gz GSAAIPPESDCALJ-HDICACEKSA-N 1 3 339.487 2.644 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001045438637 1307338915 /nfs/dbraw/zinc/33/89/15/1307338915.db2.gz UQDSXJKQAFUESH-JKSUJKDBSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007330080 1307371223 /nfs/dbraw/zinc/37/12/23/1307371223.db2.gz XCTWOKPQSVUHTB-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007330080 1307371226 /nfs/dbraw/zinc/37/12/26/1307371226.db2.gz XCTWOKPQSVUHTB-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007330077 1307371367 /nfs/dbraw/zinc/37/13/67/1307371367.db2.gz XBDPLSQLAYLRML-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007330077 1307371375 /nfs/dbraw/zinc/37/13/75/1307371375.db2.gz XBDPLSQLAYLRML-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007330076 1307371775 /nfs/dbraw/zinc/37/17/75/1307371775.db2.gz XBDPLSQLAYLRML-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007330076 1307371779 /nfs/dbraw/zinc/37/17/79/1307371779.db2.gz XBDPLSQLAYLRML-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001007368308 1307391953 /nfs/dbraw/zinc/39/19/53/1307391953.db2.gz DZWGUNCTLNPYNY-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001007368308 1307391959 /nfs/dbraw/zinc/39/19/59/1307391959.db2.gz DZWGUNCTLNPYNY-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007368689 1307393436 /nfs/dbraw/zinc/39/34/36/1307393436.db2.gz QVFDIQADJOWGEI-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007368689 1307393441 /nfs/dbraw/zinc/39/34/41/1307393441.db2.gz QVFDIQADJOWGEI-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO C[NH+](C)CCOc1ccc(-c2cnccc2N2CCOCC2)cc1 ZINC001242149984 1314184917 /nfs/dbraw/zinc/18/49/17/1314184917.db2.gz AFJUESPFNISBPR-UHFFFAOYSA-N 1 3 327.428 2.526 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455786 1307446315 /nfs/dbraw/zinc/44/63/15/1307446315.db2.gz DPCDJMHIJRDYIY-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455786 1307446318 /nfs/dbraw/zinc/44/63/18/1307446318.db2.gz DPCDJMHIJRDYIY-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001007455623 1307446345 /nfs/dbraw/zinc/44/63/45/1307446345.db2.gz CLJQIAFLAFQSMS-WMZOPIPTSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001007455623 1307446348 /nfs/dbraw/zinc/44/63/48/1307446348.db2.gz CLJQIAFLAFQSMS-WMZOPIPTSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001007457164 1307447604 /nfs/dbraw/zinc/44/76/04/1307447604.db2.gz JGEMUWZOYFMTSG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001007457164 1307447608 /nfs/dbraw/zinc/44/76/08/1307447608.db2.gz JGEMUWZOYFMTSG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007457164 1307447611 /nfs/dbraw/zinc/44/76/11/1307447611.db2.gz JGEMUWZOYFMTSG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007457164 1307447614 /nfs/dbraw/zinc/44/76/14/1307447614.db2.gz JGEMUWZOYFMTSG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458135 1307447797 /nfs/dbraw/zinc/44/77/97/1307447797.db2.gz VDONWFFXKYJQJQ-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458135 1307447798 /nfs/dbraw/zinc/44/77/98/1307447798.db2.gz VDONWFFXKYJQJQ-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640145 1307492141 /nfs/dbraw/zinc/49/21/41/1307492141.db2.gz GWKQGYWYXHSBCK-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640145 1307492148 /nfs/dbraw/zinc/49/21/48/1307492148.db2.gz GWKQGYWYXHSBCK-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO Nc1ccc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276654746 1314194566 /nfs/dbraw/zinc/19/45/66/1314194566.db2.gz UJWGYHKXZYPENG-UHFFFAOYSA-N 1 3 339.487 2.870 20 0 EFADHO Nc1ccc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276654746 1314194569 /nfs/dbraw/zinc/19/45/69/1314194569.db2.gz UJWGYHKXZYPENG-UHFFFAOYSA-N 1 3 339.487 2.870 20 0 EFADHO O=C(N[C@@H]1CCCN(CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786978 1307601083 /nfs/dbraw/zinc/60/10/83/1307601083.db2.gz MPBOFLIDJUYUPZ-GOSISDBHSA-N 1 3 333.520 2.776 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001097694990 1314199401 /nfs/dbraw/zinc/19/94/01/1314199401.db2.gz MZCDGUSONHYZQB-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001097694990 1314199405 /nfs/dbraw/zinc/19/94/05/1314199405.db2.gz MZCDGUSONHYZQB-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045807347 1307665250 /nfs/dbraw/zinc/66/52/50/1307665250.db2.gz UVVZLFWPQQVPSV-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045807347 1307665256 /nfs/dbraw/zinc/66/52/56/1307665256.db2.gz UVVZLFWPQQVPSV-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045819824 1307690960 /nfs/dbraw/zinc/69/09/60/1307690960.db2.gz FLIFBIMXTJPKKX-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045819824 1307690961 /nfs/dbraw/zinc/69/09/61/1307690961.db2.gz FLIFBIMXTJPKKX-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001209633182 1314204616 /nfs/dbraw/zinc/20/46/16/1314204616.db2.gz SIRZIMAQBBGFFV-OVHFLYOFSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001209633181 1314204796 /nfs/dbraw/zinc/20/47/96/1314204796.db2.gz SIRZIMAQBBGFFV-MFVQGQBESA-N 1 3 341.499 2.765 20 0 EFADHO CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209641628 1314206899 /nfs/dbraw/zinc/20/68/99/1314206899.db2.gz KEPJUBAEWVVWAI-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209642574 1314207586 /nfs/dbraw/zinc/20/75/86/1314207586.db2.gz PDNHOZMOAMGHNN-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053091 1307787988 /nfs/dbraw/zinc/78/79/88/1307787988.db2.gz RFJBDNWHHQOUIZ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053091 1307787990 /nfs/dbraw/zinc/78/79/90/1307787990.db2.gz RFJBDNWHHQOUIZ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO O=C(N[C@H]1CCCN(CC2=CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008065854 1307795324 /nfs/dbraw/zinc/79/53/24/1307795324.db2.gz LGDUNQOWVFKOOB-VQTJNVASSA-N 1 3 345.531 2.942 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)c1c[nH]cn1 ZINC001045879093 1307798586 /nfs/dbraw/zinc/79/85/86/1307798586.db2.gz YMXYPDRERNYEGJ-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)c1c[nH]cn1 ZINC001045879093 1307798589 /nfs/dbraw/zinc/79/85/89/1307798589.db2.gz YMXYPDRERNYEGJ-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001209659410 1314212129 /nfs/dbraw/zinc/21/21/29/1314212129.db2.gz DBMNNINGXHJGSZ-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001209670099 1314214054 /nfs/dbraw/zinc/21/40/54/1314214054.db2.gz VVBNPEFHJSFKCW-MQESYYLESA-N 1 3 329.488 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001209688621 1314217296 /nfs/dbraw/zinc/21/72/96/1314217296.db2.gz FWIXAGHFFBSVND-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(C)s1 ZINC001276665466 1314218437 /nfs/dbraw/zinc/21/84/37/1314218437.db2.gz OCCSUKAYGUFUPM-CALCHBBNSA-N 1 3 349.544 2.597 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)c(C)s1 ZINC001276665466 1314218440 /nfs/dbraw/zinc/21/84/40/1314218440.db2.gz OCCSUKAYGUFUPM-CALCHBBNSA-N 1 3 349.544 2.597 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045940697 1307947596 /nfs/dbraw/zinc/94/75/96/1307947596.db2.gz CKLRUHACUXEDBF-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045940697 1307947599 /nfs/dbraw/zinc/94/75/99/1307947599.db2.gz CKLRUHACUXEDBF-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045941310 1307949956 /nfs/dbraw/zinc/94/99/56/1307949956.db2.gz JJTLDJLGSDIPSR-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045941310 1307949962 /nfs/dbraw/zinc/94/99/62/1307949962.db2.gz JJTLDJLGSDIPSR-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001045941890 1307951367 /nfs/dbraw/zinc/95/13/67/1307951367.db2.gz OHWDIFVTANFWDJ-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001045941890 1307951370 /nfs/dbraw/zinc/95/13/70/1307951370.db2.gz OHWDIFVTANFWDJ-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943454 1307957064 /nfs/dbraw/zinc/95/70/64/1307957064.db2.gz IQMSFBNDFFMRNY-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943454 1307957067 /nfs/dbraw/zinc/95/70/67/1307957067.db2.gz IQMSFBNDFFMRNY-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943693 1307957852 /nfs/dbraw/zinc/95/78/52/1307957852.db2.gz MPOGGCCDFTWLET-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943693 1307957856 /nfs/dbraw/zinc/95/78/56/1307957856.db2.gz MPOGGCCDFTWLET-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001045944049 1307960806 /nfs/dbraw/zinc/96/08/06/1307960806.db2.gz VTFGGHBUQXKJMJ-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001045944049 1307960809 /nfs/dbraw/zinc/96/08/09/1307960809.db2.gz VTFGGHBUQXKJMJ-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001045946806 1307968108 /nfs/dbraw/zinc/96/81/08/1307968108.db2.gz AFKIWVWPZGPYRF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001045946806 1307968110 /nfs/dbraw/zinc/96/81/10/1307968110.db2.gz AFKIWVWPZGPYRF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001008299367 1307972111 /nfs/dbraw/zinc/97/21/11/1307972111.db2.gz PUJSUKICXKXABK-WDSOQIARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001008299367 1307972115 /nfs/dbraw/zinc/97/21/15/1307972115.db2.gz PUJSUKICXKXABK-WDSOQIARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000900335624 1308000491 /nfs/dbraw/zinc/00/04/91/1308000491.db2.gz ZKIKFAFTCIXUTJ-GTAWCEEGSA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000900335624 1308000496 /nfs/dbraw/zinc/00/04/96/1308000496.db2.gz ZKIKFAFTCIXUTJ-GTAWCEEGSA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001045965106 1308017872 /nfs/dbraw/zinc/01/78/72/1308017872.db2.gz DDMITSCMDOFHPI-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001045965106 1308017877 /nfs/dbraw/zinc/01/78/77/1308017877.db2.gz DDMITSCMDOFHPI-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001045965032 1308018675 /nfs/dbraw/zinc/01/86/75/1308018675.db2.gz BNBSXZBUYFDUSL-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001045965032 1308018679 /nfs/dbraw/zinc/01/86/79/1308018679.db2.gz BNBSXZBUYFDUSL-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045966225 1308020780 /nfs/dbraw/zinc/02/07/80/1308020780.db2.gz RCKCAFGIGYVKJC-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045966225 1308020786 /nfs/dbraw/zinc/02/07/86/1308020786.db2.gz RCKCAFGIGYVKJC-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001045966734 1308022155 /nfs/dbraw/zinc/02/21/55/1308022155.db2.gz DZTJJBRXJJGDKH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001045966734 1308022159 /nfs/dbraw/zinc/02/21/59/1308022159.db2.gz DZTJJBRXJJGDKH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967387 1308024920 /nfs/dbraw/zinc/02/49/20/1308024920.db2.gz TZOBMBLQIHPJBD-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967387 1308024922 /nfs/dbraw/zinc/02/49/22/1308024922.db2.gz TZOBMBLQIHPJBD-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967528 1308025880 /nfs/dbraw/zinc/02/58/80/1308025880.db2.gz WVASMHBEWACKOE-QUCCMNQESA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967528 1308025884 /nfs/dbraw/zinc/02/58/84/1308025884.db2.gz WVASMHBEWACKOE-QUCCMNQESA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968877 1308029928 /nfs/dbraw/zinc/02/99/28/1308029928.db2.gz IUJZVVNTLCSUDX-VQIMIIECSA-N 1 3 332.492 2.703 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968877 1308029935 /nfs/dbraw/zinc/02/99/35/1308029935.db2.gz IUJZVVNTLCSUDX-VQIMIIECSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1c[nH+]ccc1N)C2 ZINC001209729456 1314223835 /nfs/dbraw/zinc/22/38/35/1314223835.db2.gz KUWWTJWNRYLXCK-IBGZPJMESA-N 1 3 346.475 2.717 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001045973518 1308044249 /nfs/dbraw/zinc/04/42/49/1308044249.db2.gz SFDGAKOTEDQABL-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001045973518 1308044255 /nfs/dbraw/zinc/04/42/55/1308044255.db2.gz SFDGAKOTEDQABL-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008397714 1308044556 /nfs/dbraw/zinc/04/45/56/1308044556.db2.gz FEOMXRYDNHNKQX-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402211 1308048109 /nfs/dbraw/zinc/04/81/09/1308048109.db2.gz ZLHNOQKQCPGPFM-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001008404072 1308048672 /nfs/dbraw/zinc/04/86/72/1308048672.db2.gz GINSVQQDEHFUIM-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c(C)c1 ZINC001008407956 1308050990 /nfs/dbraw/zinc/05/09/90/1308050990.db2.gz WKRCXTQAMYZHKR-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO c1ncc(C2=CC[C@H]([NH+]3CCCC3)CC2)nc1OCCN1CCCC1 ZINC001242687755 1314225656 /nfs/dbraw/zinc/22/56/56/1314225656.db2.gz ARUVEPRMFFSCGU-SFHVURJKSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001097775956 1314227672 /nfs/dbraw/zinc/22/76/72/1314227672.db2.gz RAOAPUZEKZYNLK-AQNXPRMDSA-N 1 3 341.499 2.558 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC001413134408 1308139348 /nfs/dbraw/zinc/13/93/48/1308139348.db2.gz VHHWEGFJOZSCCJ-RBUKOAKNSA-N 1 3 343.446 2.841 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001019241626 1314234798 /nfs/dbraw/zinc/23/47/98/1314234798.db2.gz PINWOFAGZPMERI-RYQLBKOJSA-N 1 3 347.890 2.612 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCCN(CCc3cccs3)C2)CC1 ZINC001008761754 1308271747 /nfs/dbraw/zinc/27/17/47/1308271747.db2.gz RWKOJENVMUXFBT-KRWDZBQOSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)=CCN1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145888 1308408601 /nfs/dbraw/zinc/40/86/01/1308408601.db2.gz OQOWXZJFXDAWIA-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009170701 1308418215 /nfs/dbraw/zinc/41/82/15/1308418215.db2.gz SERXRSWHMFRTBZ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009170701 1308418213 /nfs/dbraw/zinc/41/82/13/1308418213.db2.gz SERXRSWHMFRTBZ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001009201522 1308428220 /nfs/dbraw/zinc/42/82/20/1308428220.db2.gz KVONQUCNXJKNGH-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001009201522 1308428222 /nfs/dbraw/zinc/42/82/22/1308428222.db2.gz KVONQUCNXJKNGH-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225673 1308438481 /nfs/dbraw/zinc/43/84/81/1308438481.db2.gz OIBUYWGXGRPSLG-ROUUACIJSA-N 1 3 341.499 2.732 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)C1 ZINC001019274600 1314249693 /nfs/dbraw/zinc/24/96/93/1314249693.db2.gz GYAAHADONNHWKZ-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)C1 ZINC001019274600 1314249697 /nfs/dbraw/zinc/24/96/97/1314249697.db2.gz GYAAHADONNHWKZ-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)C1 ZINC001019275857 1314249964 /nfs/dbraw/zinc/24/99/64/1314249964.db2.gz OLUSIWKOLGMIDF-SJORKVTESA-N 1 3 335.517 2.561 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)C1 ZINC001019275857 1314249967 /nfs/dbraw/zinc/24/99/67/1314249967.db2.gz OLUSIWKOLGMIDF-SJORKVTESA-N 1 3 335.517 2.561 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900684949 1308526762 /nfs/dbraw/zinc/52/67/62/1308526762.db2.gz JDZDHFSXUGJJKZ-QFBILLFUSA-N 1 3 345.487 2.719 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900684949 1308526765 /nfs/dbraw/zinc/52/67/65/1308526765.db2.gz JDZDHFSXUGJJKZ-QFBILLFUSA-N 1 3 345.487 2.719 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900684948 1308526992 /nfs/dbraw/zinc/52/69/92/1308526992.db2.gz JDZDHFSXUGJJKZ-LPHOPBHVSA-N 1 3 345.487 2.719 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900684948 1308526995 /nfs/dbraw/zinc/52/69/95/1308526995.db2.gz JDZDHFSXUGJJKZ-LPHOPBHVSA-N 1 3 345.487 2.719 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@](C)(NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001046314561 1308529315 /nfs/dbraw/zinc/52/93/15/1308529315.db2.gz DENBPZVTXKTJJL-CTNGQTDRSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001046314561 1308529318 /nfs/dbraw/zinc/52/93/18/1308529318.db2.gz DENBPZVTXKTJJL-CTNGQTDRSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046317737 1308533403 /nfs/dbraw/zinc/53/34/03/1308533403.db2.gz UZMOJLWYTDFFPY-TZIWHRDSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046317737 1308533407 /nfs/dbraw/zinc/53/34/07/1308533407.db2.gz UZMOJLWYTDFFPY-TZIWHRDSSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001046318962 1308535364 /nfs/dbraw/zinc/53/53/64/1308535364.db2.gz ZDDWGERUDRXPML-XLIONFOSSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001046318962 1308535366 /nfs/dbraw/zinc/53/53/66/1308535366.db2.gz ZDDWGERUDRXPML-XLIONFOSSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510569 1308553660 /nfs/dbraw/zinc/55/36/60/1308553660.db2.gz RPGRCVCVRPNNEU-MOPGFXCFSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510569 1308553663 /nfs/dbraw/zinc/55/36/63/1308553663.db2.gz RPGRCVCVRPNNEU-MOPGFXCFSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611015 1308585329 /nfs/dbraw/zinc/58/53/29/1308585329.db2.gz NOUDSKKFAFCSBH-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611015 1308585332 /nfs/dbraw/zinc/58/53/32/1308585332.db2.gz NOUDSKKFAFCSBH-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627203 1308589567 /nfs/dbraw/zinc/58/95/67/1308589567.db2.gz KXQAPTDNJXFSPX-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627203 1308589570 /nfs/dbraw/zinc/58/95/70/1308589570.db2.gz KXQAPTDNJXFSPX-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009626078 1308589825 /nfs/dbraw/zinc/58/98/25/1308589825.db2.gz HXQCKQFMZBSFEQ-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009626078 1308589828 /nfs/dbraw/zinc/58/98/28/1308589828.db2.gz HXQCKQFMZBSFEQ-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627834 1308590037 /nfs/dbraw/zinc/59/00/37/1308590037.db2.gz ODASPBJKCWHVPJ-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627834 1308590040 /nfs/dbraw/zinc/59/00/40/1308590040.db2.gz ODASPBJKCWHVPJ-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC001276676712 1314270653 /nfs/dbraw/zinc/27/06/53/1314270653.db2.gz LWWLYLPSQHPTFB-FQEVSTJZSA-N 1 3 347.551 2.557 20 0 EFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC001276676712 1314270656 /nfs/dbraw/zinc/27/06/56/1314270656.db2.gz LWWLYLPSQHPTFB-FQEVSTJZSA-N 1 3 347.551 2.557 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001019337432 1314280995 /nfs/dbraw/zinc/28/09/95/1314280995.db2.gz JBGSGLGRYVIWBB-IPMKNSEASA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019339022 1314281435 /nfs/dbraw/zinc/28/14/35/1314281435.db2.gz KIYWRQYXIQNWGC-FHLIZLRMSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001019338879 1314281492 /nfs/dbraw/zinc/28/14/92/1314281492.db2.gz DSRBNCCZDUKXLO-RLFYNMQTSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019339277 1314282143 /nfs/dbraw/zinc/28/21/43/1314282143.db2.gz XTHARYCPQZDKDB-FHLIZLRMSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019342652 1314283423 /nfs/dbraw/zinc/28/34/23/1314283423.db2.gz AMWVQZUSBGQUKD-ZIFCJYIRSA-N 1 3 331.504 2.833 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC001052678529 1314288246 /nfs/dbraw/zinc/28/82/46/1314288246.db2.gz WYCKUWHUSVNCSC-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC001052678532 1314288388 /nfs/dbraw/zinc/28/83/88/1314288388.db2.gz WYCKUWHUSVNCSC-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001210217052 1314296195 /nfs/dbraw/zinc/29/61/95/1314296195.db2.gz CIBZXZZLRFJQQN-GOSISDBHSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210218187 1314296855 /nfs/dbraw/zinc/29/68/55/1314296855.db2.gz PKQLXANSLRXLAL-ROUUACIJSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001210217852 1314296894 /nfs/dbraw/zinc/29/68/94/1314296894.db2.gz MQSOHAMGSITKPD-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO C[C@@H](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC001413271327 1309194493 /nfs/dbraw/zinc/19/44/93/1309194493.db2.gz LSPNRWZKNBJFOM-ROUUACIJSA-N 1 3 345.531 2.786 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(CC)CC)C2)cc1 ZINC001210218132 1314297207 /nfs/dbraw/zinc/29/72/07/1314297207.db2.gz OOUDYBPQCHPLBI-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001210229453 1314299082 /nfs/dbraw/zinc/29/90/82/1314299082.db2.gz OXZRTCAIPXLVNF-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001210230134 1314299142 /nfs/dbraw/zinc/29/91/42/1314299142.db2.gz TYZJSADBQIOGOA-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO COC(=O)Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001243599313 1314299967 /nfs/dbraw/zinc/29/99/67/1314299967.db2.gz DYRLBXUZMRKVTA-UHFFFAOYSA-N 1 3 338.451 2.992 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210220908 1314297613 /nfs/dbraw/zinc/29/76/13/1314297613.db2.gz YLRCISBOEWVISR-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019381194 1314303159 /nfs/dbraw/zinc/30/31/59/1314303159.db2.gz AEBQFMBETLHGJM-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001019381719 1314303285 /nfs/dbraw/zinc/30/32/85/1314303285.db2.gz RDILCNGOKIJWEI-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386746 1314306216 /nfs/dbraw/zinc/30/62/16/1314306216.db2.gz VEBHHUQZBNHGHV-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001019394126 1314310445 /nfs/dbraw/zinc/31/04/45/1314310445.db2.gz AETKPQDGHOFJAT-HOTGVXAUSA-N 1 3 339.430 2.655 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC001019394875 1314310643 /nfs/dbraw/zinc/31/06/43/1314310643.db2.gz PEOUWTWXXXCCKH-HBFSDRIKSA-N 1 3 343.515 2.637 20 0 EFADHO CCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001019394996 1314310776 /nfs/dbraw/zinc/31/07/76/1314310776.db2.gz VIMMIDMJPXGYSU-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC001019397313 1314313198 /nfs/dbraw/zinc/31/31/98/1314313198.db2.gz SZAUZEZJLATGPH-ICSRJNTNSA-N 1 3 339.483 2.871 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706391 1314313822 /nfs/dbraw/zinc/31/38/22/1314313822.db2.gz RYQOOGKEZFGRMU-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706391 1314313825 /nfs/dbraw/zinc/31/38/25/1314313825.db2.gz RYQOOGKEZFGRMU-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831282 1309477223 /nfs/dbraw/zinc/47/72/23/1309477223.db2.gz IRIJMBKKURFEMF-FPOVZHCZSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831282 1309477227 /nfs/dbraw/zinc/47/72/27/1309477227.db2.gz IRIJMBKKURFEMF-FPOVZHCZSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCc3cccs3)CC2)C1 ZINC001052712731 1314318787 /nfs/dbraw/zinc/31/87/87/1314318787.db2.gz OAXJSZUMXYLRFZ-SJORKVTESA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCc3cccs3)CC2)C1 ZINC001052712731 1314318790 /nfs/dbraw/zinc/31/87/90/1314318790.db2.gz OAXJSZUMXYLRFZ-SJORKVTESA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCc3cccs3)CC2)C1 ZINC001052712729 1314319086 /nfs/dbraw/zinc/31/90/86/1314319086.db2.gz OAXJSZUMXYLRFZ-IAGOWNOFSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCc3cccs3)CC2)C1 ZINC001052712729 1314319090 /nfs/dbraw/zinc/31/90/90/1314319090.db2.gz OAXJSZUMXYLRFZ-IAGOWNOFSA-N 1 3 349.544 2.603 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CC3CCC3)C2)c1 ZINC001046851611 1309523820 /nfs/dbraw/zinc/52/38/20/1309523820.db2.gz IKVYSYXIEUSKRH-FQEVSTJZSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC3)C2)c1 ZINC001046851611 1309523824 /nfs/dbraw/zinc/52/38/24/1309523824.db2.gz IKVYSYXIEUSKRH-FQEVSTJZSA-N 1 3 329.488 2.743 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712763 1314319742 /nfs/dbraw/zinc/31/97/42/1314319742.db2.gz OMILGRZXTOWJHY-YLJYHZDGSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712763 1314319746 /nfs/dbraw/zinc/31/97/46/1314319746.db2.gz OMILGRZXTOWJHY-YLJYHZDGSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccsc3)CC2)C1 ZINC001052712753 1314320058 /nfs/dbraw/zinc/32/00/58/1314320058.db2.gz OITSIAIEJZIKMP-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccsc3)CC2)C1 ZINC001052712753 1314320061 /nfs/dbraw/zinc/32/00/61/1314320061.db2.gz OITSIAIEJZIKMP-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052713359 1314320099 /nfs/dbraw/zinc/32/00/99/1314320099.db2.gz VRUFJILHVSXTCS-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052713359 1314320103 /nfs/dbraw/zinc/32/01/03/1314320103.db2.gz VRUFJILHVSXTCS-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712038 1314317473 /nfs/dbraw/zinc/31/74/73/1314317473.db2.gz DFFGGDFBMWBKQL-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712038 1314317475 /nfs/dbraw/zinc/31/74/75/1314317475.db2.gz DFFGGDFBMWBKQL-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712037 1314317525 /nfs/dbraw/zinc/31/75/25/1314317525.db2.gz DFFGGDFBMWBKQL-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001052712037 1314317528 /nfs/dbraw/zinc/31/75/28/1314317528.db2.gz DFFGGDFBMWBKQL-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001052712087 1314317549 /nfs/dbraw/zinc/31/75/49/1314317549.db2.gz FBVTVDQQGSORDY-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001052712087 1314317553 /nfs/dbraw/zinc/31/75/53/1314317553.db2.gz FBVTVDQQGSORDY-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001052712084 1314317621 /nfs/dbraw/zinc/31/76/21/1314317621.db2.gz FBVTVDQQGSORDY-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001052712084 1314317624 /nfs/dbraw/zinc/31/76/24/1314317624.db2.gz FBVTVDQQGSORDY-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001052712057 1314317663 /nfs/dbraw/zinc/31/76/63/1314317663.db2.gz DKSOYDMBGSYBPD-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001052712057 1314317667 /nfs/dbraw/zinc/31/76/67/1314317667.db2.gz DKSOYDMBGSYBPD-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001019435347 1314336759 /nfs/dbraw/zinc/33/67/59/1314336759.db2.gz CWCGZOIEHAKWMX-HOTGVXAUSA-N 1 3 326.444 2.521 20 0 EFADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046964482 1309786134 /nfs/dbraw/zinc/78/61/34/1309786134.db2.gz UZPCDSBSJQGFMW-HOTGVXAUSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046964482 1309786138 /nfs/dbraw/zinc/78/61/38/1309786138.db2.gz UZPCDSBSJQGFMW-HOTGVXAUSA-N 1 3 345.478 2.592 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001210482297 1314340149 /nfs/dbraw/zinc/34/01/49/1314340149.db2.gz LYWASJBDTOCCML-SFHVURJKSA-N 1 3 346.519 2.627 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cccc(C(C)C)n2)C1 ZINC001210482297 1314340153 /nfs/dbraw/zinc/34/01/53/1314340153.db2.gz LYWASJBDTOCCML-SFHVURJKSA-N 1 3 346.519 2.627 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046993337 1309873781 /nfs/dbraw/zinc/87/37/81/1309873781.db2.gz CYSCQQXXSXEJOR-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046993337 1309873787 /nfs/dbraw/zinc/87/37/87/1309873787.db2.gz CYSCQQXXSXEJOR-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046995638 1309882289 /nfs/dbraw/zinc/88/22/89/1309882289.db2.gz QNSAHKCVYGSBSV-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046995638 1309882297 /nfs/dbraw/zinc/88/22/97/1309882297.db2.gz QNSAHKCVYGSBSV-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019468066 1314354388 /nfs/dbraw/zinc/35/43/88/1314354388.db2.gz FMINLMHDYGYAEM-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001052762764 1314355931 /nfs/dbraw/zinc/35/59/31/1314355931.db2.gz CCBVAMFYTXKXOE-HJMWAZGYSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001052762764 1314355935 /nfs/dbraw/zinc/35/59/35/1314355935.db2.gz CCBVAMFYTXKXOE-HJMWAZGYSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001052762762 1314355991 /nfs/dbraw/zinc/35/59/91/1314355991.db2.gz CCBVAMFYTXKXOE-DTIZEGCPSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001052762762 1314355993 /nfs/dbraw/zinc/35/59/93/1314355993.db2.gz CCBVAMFYTXKXOE-DTIZEGCPSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)N1CCN(c2ccc(-c3cccc(OCC[NH3+])c3)cn2)CC1 ZINC001244321787 1314370999 /nfs/dbraw/zinc/37/09/99/1314370999.db2.gz HXITVSSQMBMLGP-UHFFFAOYSA-N 1 3 340.471 2.617 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001047207988 1310310607 /nfs/dbraw/zinc/31/06/07/1310310607.db2.gz SIZFDTHHQXJHAH-SZMVWBNQSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2 ZINC001047207988 1310310616 /nfs/dbraw/zinc/31/06/16/1310310616.db2.gz SIZFDTHHQXJHAH-SZMVWBNQSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001047241299 1310391774 /nfs/dbraw/zinc/39/17/74/1310391774.db2.gz ACBRSMLSOZVZKZ-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C3CC[NH+](CC4CC4)CC3)C2)CCC1 ZINC001047244818 1310401657 /nfs/dbraw/zinc/40/16/57/1310401657.db2.gz VKUDOBMDEMVHJA-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047245588 1310404496 /nfs/dbraw/zinc/40/44/96/1310404496.db2.gz ZYKCVOCLZMOCCT-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047257552 1310433300 /nfs/dbraw/zinc/43/33/00/1310433300.db2.gz QKSLMJLIKQKULP-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259003 1310436716 /nfs/dbraw/zinc/43/67/16/1310436716.db2.gz JEIJEJGTTIVFIB-SJLPKXTDSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210783396 1314387110 /nfs/dbraw/zinc/38/71/10/1314387110.db2.gz SMIBNSWEUAQIEL-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210810681 1314391925 /nfs/dbraw/zinc/39/19/25/1314391925.db2.gz CLQRXHNHJQULLH-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001210811453 1314392733 /nfs/dbraw/zinc/39/27/33/1314392733.db2.gz OEQJGJVXXUDFJE-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001210812253 1314392843 /nfs/dbraw/zinc/39/28/43/1314392843.db2.gz VRZGYMBQQUXALZ-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001210812254 1314392981 /nfs/dbraw/zinc/39/29/81/1314392981.db2.gz VRZGYMBQQUXALZ-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664460 1311009298 /nfs/dbraw/zinc/00/92/98/1311009298.db2.gz VOKZDKBTWNQJPY-WKOLEINNSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664460 1311009302 /nfs/dbraw/zinc/00/93/02/1311009302.db2.gz VOKZDKBTWNQJPY-WKOLEINNSA-N 1 3 347.547 2.996 20 0 EFADHO CCCCCCN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669466 1311010021 /nfs/dbraw/zinc/01/00/21/1311010021.db2.gz NVWQYCOEDCIDHW-QZTJIDSGSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+](CCC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21)C1CCCCC1 ZINC001221714263 1311018238 /nfs/dbraw/zinc/01/82/38/1311018238.db2.gz VXNOXWICNVMRLF-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[N@@H+](CCC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21)C1CCCCC1 ZINC001221714263 1311018240 /nfs/dbraw/zinc/01/82/40/1311018240.db2.gz VXNOXWICNVMRLF-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098403732 1311023026 /nfs/dbraw/zinc/02/30/26/1311023026.db2.gz PAQIACJBSAOBFG-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403732 1311023030 /nfs/dbraw/zinc/02/30/30/1311023030.db2.gz PAQIACJBSAOBFG-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403732 1311023034 /nfs/dbraw/zinc/02/30/34/1311023034.db2.gz PAQIACJBSAOBFG-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403578 1311023406 /nfs/dbraw/zinc/02/34/06/1311023406.db2.gz HZPLUSDBLWTKOF-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403578 1311023410 /nfs/dbraw/zinc/02/34/10/1311023410.db2.gz HZPLUSDBLWTKOF-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098403578 1311023415 /nfs/dbraw/zinc/02/34/15/1311023415.db2.gz HZPLUSDBLWTKOF-PIKADFDJSA-N 1 3 345.462 2.704 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749288301 1311026087 /nfs/dbraw/zinc/02/60/87/1311026087.db2.gz ZZNCHXXLOPJQHT-JYJNAYRXSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749288301 1311026089 /nfs/dbraw/zinc/02/60/89/1311026089.db2.gz ZZNCHXXLOPJQHT-JYJNAYRXSA-N 1 3 325.497 2.848 20 0 EFADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CC[NH2+]C(C)(C)C ZINC000901778625 1311030779 /nfs/dbraw/zinc/03/07/79/1311030779.db2.gz QVRCMRXOQWBETK-FUHWJXTLSA-N 1 3 329.488 2.908 20 0 EFADHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793232 1311032867 /nfs/dbraw/zinc/03/28/67/1311032867.db2.gz WUKYHNPPKALKNK-OKMMTOMJSA-N 1 3 335.536 2.852 20 0 EFADHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793232 1311032868 /nfs/dbraw/zinc/03/28/68/1311032868.db2.gz WUKYHNPPKALKNK-OKMMTOMJSA-N 1 3 335.536 2.852 20 0 EFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000749572841 1311033980 /nfs/dbraw/zinc/03/39/80/1311033980.db2.gz MUGVCVJPQVLFOC-IBGZPJMESA-N 1 3 344.503 2.641 20 0 EFADHO CCCN1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000749572841 1311033982 /nfs/dbraw/zinc/03/39/82/1311033982.db2.gz MUGVCVJPQVLFOC-IBGZPJMESA-N 1 3 344.503 2.641 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001413764175 1311041950 /nfs/dbraw/zinc/04/19/50/1311041950.db2.gz SDRMVFVAPBBJHN-LJQANCHMSA-N 1 3 346.519 2.600 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001413764175 1311041952 /nfs/dbraw/zinc/04/19/52/1311041952.db2.gz SDRMVFVAPBBJHN-LJQANCHMSA-N 1 3 346.519 2.600 20 0 EFADHO CCn1ccc2ccc(CN3C[C@H]4CC[C@@H](C3)N4CC[NH+](C)C)cc21 ZINC001276826430 1311061146 /nfs/dbraw/zinc/06/11/46/1311061146.db2.gz PYINXLMXRQCVOZ-BGYRXZFFSA-N 1 3 340.515 2.871 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222086358 1311082266 /nfs/dbraw/zinc/08/22/66/1311082266.db2.gz DYUYAWKCFPYGQZ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO Clc1ccc(-n2cccc2CN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222094275 1311084115 /nfs/dbraw/zinc/08/41/15/1311084115.db2.gz ASZGWOKVPQDSGO-UHFFFAOYSA-N 1 3 344.890 2.658 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4[nH]ccc43)C[C@@H]1CNCCC2 ZINC001222125943 1311088555 /nfs/dbraw/zinc/08/85/55/1311088555.db2.gz YSEATMZIEJIFPT-JXFKEZNVSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4[nH]ccc43)C[C@@H]1CNCCC2 ZINC001222125943 1311088558 /nfs/dbraw/zinc/08/85/58/1311088558.db2.gz YSEATMZIEJIFPT-JXFKEZNVSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cccc4[nH]ccc43)C[C@@H]1C[NH2+]CCC2 ZINC001222125943 1311088560 /nfs/dbraw/zinc/08/85/60/1311088560.db2.gz YSEATMZIEJIFPT-JXFKEZNVSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](CCCc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001222125441 1311088723 /nfs/dbraw/zinc/08/87/23/1311088723.db2.gz LZQKYAMYJCVOAJ-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](CCCc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001222125441 1311088726 /nfs/dbraw/zinc/08/87/26/1311088726.db2.gz LZQKYAMYJCVOAJ-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO CCOC(=O)[C@@]12CN(CCCc3ccc(F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125441 1311088729 /nfs/dbraw/zinc/08/87/29/1311088729.db2.gz LZQKYAMYJCVOAJ-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3ccccc3CC)C[C@@H]1C[NH2+]CCC2 ZINC001222131295 1311089191 /nfs/dbraw/zinc/08/91/91/1311089191.db2.gz SNAQPBMWEFKDIQ-ICSRJNTNSA-N 1 3 330.472 2.614 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC[C@@]23CCC[NH2+]CC3)c1C ZINC001222314567 1311113667 /nfs/dbraw/zinc/11/36/67/1311113667.db2.gz HXWRSZHUJKBYPY-LJQANCHMSA-N 1 3 333.476 2.916 20 0 EFADHO CC(C)c1ccc(C[C@@H](C)CN2CC(=O)NC3(CC[NH2+]CC3)C2)cc1 ZINC001222515180 1311145406 /nfs/dbraw/zinc/14/54/06/1311145406.db2.gz MHVZYHYEBZDRMI-QGZVFWFLSA-N 1 3 343.515 2.543 20 0 EFADHO [NH3+]CC1(F)CCN(Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001222543174 1311149948 /nfs/dbraw/zinc/14/99/48/1311149948.db2.gz QGDIKILYCTUTLK-UHFFFAOYSA-N 1 3 346.475 2.919 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)cn1 ZINC001276830945 1311150430 /nfs/dbraw/zinc/15/04/30/1311150430.db2.gz WXELUCSUMFISIX-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cn1 ZINC001276830945 1311150431 /nfs/dbraw/zinc/15/04/31/1311150431.db2.gz WXELUCSUMFISIX-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001276831000 1311151108 /nfs/dbraw/zinc/15/11/08/1311151108.db2.gz XUXJGZXKPUFFAI-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001276831000 1311151110 /nfs/dbraw/zinc/15/11/10/1311151110.db2.gz XUXJGZXKPUFFAI-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO OCCCCC[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573796 1311154744 /nfs/dbraw/zinc/15/47/44/1311154744.db2.gz DXLVVRQXDOPHRQ-HXUWFJFHSA-N 1 3 346.515 2.952 20 0 EFADHO OCCCCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573796 1311154747 /nfs/dbraw/zinc/15/47/47/1311154747.db2.gz DXLVVRQXDOPHRQ-HXUWFJFHSA-N 1 3 346.515 2.952 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038628873 1311165826 /nfs/dbraw/zinc/16/58/26/1311165826.db2.gz DPCNZJZLNFIIMN-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038628873 1311165827 /nfs/dbraw/zinc/16/58/27/1311165827.db2.gz DPCNZJZLNFIIMN-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001222667614 1311169810 /nfs/dbraw/zinc/16/98/10/1311169810.db2.gz FWHHEHYMIIFFFU-NZSAHSFTSA-N 1 3 333.907 2.861 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038630732 1311206336 /nfs/dbraw/zinc/20/63/36/1311206336.db2.gz OKYBQUUXODYMCM-WDSOQIARSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038630732 1311206338 /nfs/dbraw/zinc/20/63/38/1311206338.db2.gz OKYBQUUXODYMCM-WDSOQIARSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866943 1311239301 /nfs/dbraw/zinc/23/93/01/1311239301.db2.gz FWUIACMFUSRQER-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866886 1311239377 /nfs/dbraw/zinc/23/93/77/1311239377.db2.gz FHWCBAYYWOXZFK-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868062 1311240251 /nfs/dbraw/zinc/24/02/51/1311240251.db2.gz MIYBICZZFJSWQB-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868309 1311240789 /nfs/dbraw/zinc/24/07/89/1311240789.db2.gz NKXQWOLATCPNHI-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869103 1311241293 /nfs/dbraw/zinc/24/12/93/1311241293.db2.gz PFLUFUWQOKNWPG-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001047869414 1311241556 /nfs/dbraw/zinc/24/15/56/1311241556.db2.gz QQPAJGIMIBIFHC-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(F)c(CN2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)c1 ZINC001223429839 1311260054 /nfs/dbraw/zinc/26/00/54/1311260054.db2.gz BZCSGFYDTSDVQZ-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC001223464651 1311263461 /nfs/dbraw/zinc/26/34/61/1311263461.db2.gz AHKDDTHHYPVQCV-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CCC/C=C/CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223464896 1311263909 /nfs/dbraw/zinc/26/39/09/1311263909.db2.gz CSEABSWTOJEGQV-OVKVCFKUSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223471907 1311265097 /nfs/dbraw/zinc/26/50/97/1311265097.db2.gz HCYWTABUVRFBDH-APWZRJJASA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CCCC3CCC3)CC2)CCC1 ZINC001223472876 1311265124 /nfs/dbraw/zinc/26/51/24/1311265124.db2.gz XCJUYHVGIGDHMI-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472683 1311265246 /nfs/dbraw/zinc/26/52/46/1311265246.db2.gz SGEGITSLVAQVRT-JXFKEZNVSA-N 1 3 343.515 2.916 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N(CC)CC ZINC001223488981 1311267819 /nfs/dbraw/zinc/26/78/19/1311267819.db2.gz GDZODACQZXGNLH-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N(CC)CC ZINC001223488981 1311267821 /nfs/dbraw/zinc/26/78/21/1311267821.db2.gz GDZODACQZXGNLH-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1)C1CCC1 ZINC001223495414 1311268655 /nfs/dbraw/zinc/26/86/55/1311268655.db2.gz NWSLEKHNHMHTCD-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223506552 1311270329 /nfs/dbraw/zinc/27/03/29/1311270329.db2.gz FQQOMSDXLLGSRF-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223506552 1311270332 /nfs/dbraw/zinc/27/03/32/1311270332.db2.gz FQQOMSDXLLGSRF-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976361 1311271030 /nfs/dbraw/zinc/27/10/30/1311271030.db2.gz ZXXHDESZSYJASS-XLBHYRNJSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976361 1311271034 /nfs/dbraw/zinc/27/10/34/1311271034.db2.gz ZXXHDESZSYJASS-XLBHYRNJSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101976361 1311271038 /nfs/dbraw/zinc/27/10/38/1311271038.db2.gz ZXXHDESZSYJASS-XLBHYRNJSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976362 1311271293 /nfs/dbraw/zinc/27/12/93/1311271293.db2.gz ZXXHDESZSYJASS-ZJBFNYKTSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001101976362 1311271295 /nfs/dbraw/zinc/27/12/95/1311271295.db2.gz ZXXHDESZSYJASS-ZJBFNYKTSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101976362 1311271298 /nfs/dbraw/zinc/27/12/98/1311271298.db2.gz ZXXHDESZSYJASS-ZJBFNYKTSA-N 1 3 341.927 2.688 20 0 EFADHO Cc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102070823 1311277225 /nfs/dbraw/zinc/27/72/25/1311277225.db2.gz VAOUIWAIBIDKSR-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO Cc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)c1 ZINC001102070823 1311277228 /nfs/dbraw/zinc/27/72/28/1311277228.db2.gz VAOUIWAIBIDKSR-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001223596519 1311280328 /nfs/dbraw/zinc/28/03/28/1311280328.db2.gz CJKMGUWBQNUBGI-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001223653926 1311287830 /nfs/dbraw/zinc/28/78/30/1311287830.db2.gz HELYFYRJVTTYGR-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001102525371 1311315865 /nfs/dbraw/zinc/31/58/65/1311315865.db2.gz ZAMIHTSFPDLMGW-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001102525371 1311315869 /nfs/dbraw/zinc/31/58/69/1311315869.db2.gz ZAMIHTSFPDLMGW-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047974632 1311342473 /nfs/dbraw/zinc/34/24/73/1311342473.db2.gz DWIZBMOJDLKSOD-FUHWJXTLSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975688 1311343839 /nfs/dbraw/zinc/34/38/39/1311343839.db2.gz MUGUYSBEGVZKPT-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048010110 1311368400 /nfs/dbraw/zinc/36/84/00/1311368400.db2.gz YULUPPPUXTYRTM-SJLPKXTDSA-N 1 3 349.544 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001158781314 1311386843 /nfs/dbraw/zinc/38/68/43/1311386843.db2.gz MTUQNYDXGYUPBX-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001158781314 1311386846 /nfs/dbraw/zinc/38/68/46/1311386846.db2.gz MTUQNYDXGYUPBX-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001224559581 1311407233 /nfs/dbraw/zinc/40/72/33/1311407233.db2.gz PEJVYSMQYPJIKP-GOSISDBHSA-N 1 3 343.515 2.665 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560368 1311407288 /nfs/dbraw/zinc/40/72/88/1311407288.db2.gz SIMUGCBWSUCUKF-ZWKOTPCHSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001224559420 1311407365 /nfs/dbraw/zinc/40/73/65/1311407365.db2.gz NLWCELQUKQKQDO-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577130 1311410110 /nfs/dbraw/zinc/41/01/10/1311410110.db2.gz UBQQUZLDANGDLQ-HNNXBMFYSA-N 1 3 329.504 2.541 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC001224577229 1311410282 /nfs/dbraw/zinc/41/02/82/1311410282.db2.gz WJQNAWZZFWLBFL-UHFFFAOYSA-N 1 3 345.531 2.993 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001224582896 1311410917 /nfs/dbraw/zinc/41/09/17/1311410917.db2.gz FNSQGGUCPCJTMQ-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001224582822 1311411037 /nfs/dbraw/zinc/41/10/37/1311411037.db2.gz CJKMGUWBQNUBGI-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059595 1311418489 /nfs/dbraw/zinc/41/84/89/1311418489.db2.gz UNAMJABVKKOTJL-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001048063705 1311422566 /nfs/dbraw/zinc/42/25/66/1311422566.db2.gz FLOMVYFUXBGJPB-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048065219 1311424098 /nfs/dbraw/zinc/42/40/98/1311424098.db2.gz KMMBYSLSRKAXCL-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001048067912 1311427125 /nfs/dbraw/zinc/42/71/25/1311427125.db2.gz UJKMTDGUHYQILG-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048068658 1311427487 /nfs/dbraw/zinc/42/74/87/1311427487.db2.gz XKDOEOCZBJVSQF-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048068591 1311427546 /nfs/dbraw/zinc/42/75/46/1311427546.db2.gz WWDGHAHYHFRDFK-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159025958 1311436104 /nfs/dbraw/zinc/43/61/04/1311436104.db2.gz HFVAWSMOKFLDGN-UHFFFAOYSA-N 1 3 349.482 2.984 20 0 EFADHO CCCCCCN(C)CC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001224883493 1311446442 /nfs/dbraw/zinc/44/64/42/1311446442.db2.gz BWKIRDCMQMQLFK-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CNc1ccc(C)cc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000902140738 1311467765 /nfs/dbraw/zinc/46/77/65/1311467765.db2.gz YAUWXZVLMYYVSR-UHFFFAOYSA-N 1 3 330.520 2.685 20 0 EFADHO C[N@@H+]1CC[C@H](OC[C@@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152239 1311483103 /nfs/dbraw/zinc/48/31/03/1311483103.db2.gz NDRAGZSFOLQRMN-AZUAARDMSA-N 1 3 332.488 2.777 20 0 EFADHO C[N@H+]1CC[C@H](OC[C@@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152239 1311483106 /nfs/dbraw/zinc/48/31/06/1311483106.db2.gz NDRAGZSFOLQRMN-AZUAARDMSA-N 1 3 332.488 2.777 20 0 EFADHO CC(C)(C)OC(=O)c1c(N=C2CC[NH2+]CC2)sc2c1CCNC2 ZINC001159274305 1311484189 /nfs/dbraw/zinc/48/41/89/1311484189.db2.gz HJGOJENJMWAOKE-UHFFFAOYSA-N 1 3 335.473 2.638 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001225251356 1311494917 /nfs/dbraw/zinc/49/49/17/1311494917.db2.gz DEORPAWNDDVROY-KRWDZBQOSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014401986 1311498388 /nfs/dbraw/zinc/49/83/88/1311498388.db2.gz VHVQEBUCGFEOKY-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014401986 1311498390 /nfs/dbraw/zinc/49/83/90/1311498390.db2.gz VHVQEBUCGFEOKY-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001014403242 1311499062 /nfs/dbraw/zinc/49/90/62/1311499062.db2.gz ZEQJMIWSXWFZEG-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001014403242 1311499064 /nfs/dbraw/zinc/49/90/64/1311499064.db2.gz ZEQJMIWSXWFZEG-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001225284070 1311500547 /nfs/dbraw/zinc/50/05/47/1311500547.db2.gz CZGNGSGBTOGYKY-KURKYZTESA-N 1 3 344.503 2.525 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001225284177 1311500647 /nfs/dbraw/zinc/50/06/47/1311500647.db2.gz DZTCTMFLOJCMKP-UHFFFAOYSA-N 1 3 344.503 2.669 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014416242 1311505382 /nfs/dbraw/zinc/50/53/82/1311505382.db2.gz ZASUNGNCUOEZHW-QZTJIDSGSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014416242 1311505385 /nfs/dbraw/zinc/50/53/85/1311505385.db2.gz ZASUNGNCUOEZHW-QZTJIDSGSA-N 1 3 349.544 2.744 20 0 EFADHO Nc1cccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460715 1311521079 /nfs/dbraw/zinc/52/10/79/1311521079.db2.gz YTZCPHYFUYGCCP-UHFFFAOYSA-N 1 3 335.455 2.573 20 0 EFADHO CCc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001159461646 1311521152 /nfs/dbraw/zinc/52/11/52/1311521152.db2.gz WPVCKXBDPHENKF-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225542028 1311539814 /nfs/dbraw/zinc/53/98/14/1311539814.db2.gz GLPRRWINKLPSEA-CALCHBBNSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578583 1311546859 /nfs/dbraw/zinc/54/68/59/1311546859.db2.gz YGAVEKRQFTUOQM-QZTJIDSGSA-N 1 3 341.515 2.683 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001225578696 1311546881 /nfs/dbraw/zinc/54/68/81/1311546881.db2.gz ZQZDEBDFVRAYIG-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3C)C2)CC[N@@H+]1C ZINC001014505531 1311548266 /nfs/dbraw/zinc/54/82/66/1311548266.db2.gz CKNSTJDEZTXWMX-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3C)C2)CC[N@H+]1C ZINC001014505531 1311548269 /nfs/dbraw/zinc/54/82/69/1311548269.db2.gz CKNSTJDEZTXWMX-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627899 1311554749 /nfs/dbraw/zinc/55/47/49/1311554749.db2.gz BNLAQGNFFMRXPB-UEKDZROGSA-N 1 3 333.520 2.965 20 0 EFADHO CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627899 1311554751 /nfs/dbraw/zinc/55/47/51/1311554751.db2.gz BNLAQGNFFMRXPB-UEKDZROGSA-N 1 3 333.520 2.965 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159847364 1311596137 /nfs/dbraw/zinc/59/61/37/1311596137.db2.gz ZISVSRONARFNRR-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]CC/C=C/c2ccccc2)CCC1 ZINC001159853411 1311597166 /nfs/dbraw/zinc/59/71/66/1311597166.db2.gz DLMJMUXNBFTUBW-WUXMJOGZSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cccc3ccccc32)CCC1 ZINC001159854637 1311597200 /nfs/dbraw/zinc/59/72/00/1311597200.db2.gz PFZGXSKUMPNWNH-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001159853632 1311597349 /nfs/dbraw/zinc/59/73/49/1311597349.db2.gz GCACFKXQUCSHNX-INIZCTEOSA-N 1 3 343.515 2.817 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC001159854934 1311597395 /nfs/dbraw/zinc/59/73/95/1311597395.db2.gz XIUVRASNISTUNS-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001159853633 1311597518 /nfs/dbraw/zinc/59/75/18/1311597518.db2.gz GCACFKXQUCSHNX-MRXNPFEDSA-N 1 3 343.515 2.817 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(Cl)cc2F)CCC1 ZINC001159854971 1311597561 /nfs/dbraw/zinc/59/75/61/1311597561.db2.gz YCWIRZNDYIJIDP-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC001159915644 1311607850 /nfs/dbraw/zinc/60/78/50/1311607850.db2.gz LJVXOZJMBUVUKS-OALUTQOASA-N 1 3 347.478 2.639 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159915787 1311608136 /nfs/dbraw/zinc/60/81/36/1311608136.db2.gz NVVGLYLJUJKHIN-KRWDZBQOSA-N 1 3 337.895 2.585 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)C1CC1 ZINC001159923077 1311608962 /nfs/dbraw/zinc/60/89/62/1311608962.db2.gz CUVSAPXWBLGYJA-SFHVURJKSA-N 1 3 345.512 2.837 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931768 1311611929 /nfs/dbraw/zinc/61/19/29/1311611929.db2.gz HTEGFLVSYHYAAO-ROUUACIJSA-N 1 3 335.467 2.713 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC001159932635 1311611940 /nfs/dbraw/zinc/61/19/40/1311611940.db2.gz TXURJCPRKNHYSG-FQEVSTJZSA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226160530 1311622477 /nfs/dbraw/zinc/62/24/77/1311622477.db2.gz ITOXMQOQTAFACY-KFWWJZLASA-N 1 3 349.441 2.829 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001159997615 1311626459 /nfs/dbraw/zinc/62/64/59/1311626459.db2.gz UMVQULSPHAGGTI-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1)C1CCC1 ZINC001159997522 1311626593 /nfs/dbraw/zinc/62/65/93/1311626593.db2.gz QIGYAFYJQCPQKN-UHFFFAOYSA-N 1 3 329.444 2.513 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)C1CCC1 ZINC001159997173 1311626620 /nfs/dbraw/zinc/62/66/20/1311626620.db2.gz IRZYQPPHOHREBW-UHFFFAOYSA-N 1 3 339.430 2.704 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CCC1 ZINC001159997248 1311626666 /nfs/dbraw/zinc/62/66/66/1311626666.db2.gz KAHZXEMHXNZJIB-GOSISDBHSA-N 1 3 349.906 2.908 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001048277680 1311630670 /nfs/dbraw/zinc/63/06/70/1311630670.db2.gz NXPQQXWTIPGONU-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048278527 1311631825 /nfs/dbraw/zinc/63/18/25/1311631825.db2.gz YDRSUJRCBWLWLQ-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001048279019 1311632366 /nfs/dbraw/zinc/63/23/66/1311632366.db2.gz GKGBNMPECRBFOE-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cs1 ZINC001048280883 1311633439 /nfs/dbraw/zinc/63/34/39/1311633439.db2.gz PTIGPFNKMDDUCX-YOEHRIQHSA-N 1 3 349.544 2.725 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630126 1311633973 /nfs/dbraw/zinc/63/39/73/1311633973.db2.gz MNWFMLHZESOBFG-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630126 1311633977 /nfs/dbraw/zinc/63/39/77/1311633977.db2.gz MNWFMLHZESOBFG-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001160291117 1311681321 /nfs/dbraw/zinc/68/13/21/1311681321.db2.gz DAEMUMHBCHAZKZ-GOSISDBHSA-N 1 3 339.499 2.771 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001160291117 1311681324 /nfs/dbraw/zinc/68/13/24/1311681324.db2.gz DAEMUMHBCHAZKZ-GOSISDBHSA-N 1 3 339.499 2.771 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001014721760 1311687521 /nfs/dbraw/zinc/68/75/21/1311687521.db2.gz KOTPLMOTJHMGPF-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001014721760 1311687524 /nfs/dbraw/zinc/68/75/24/1311687524.db2.gz KOTPLMOTJHMGPF-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724920 1311691016 /nfs/dbraw/zinc/69/10/16/1311691016.db2.gz YAGFJSFHXCWEQR-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724920 1311691020 /nfs/dbraw/zinc/69/10/20/1311691020.db2.gz YAGFJSFHXCWEQR-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CC3CCCC3)CC2)CCC1 ZINC001160360185 1311696782 /nfs/dbraw/zinc/69/67/82/1311696782.db2.gz LHWYDRUOSSKBKB-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CC3CCCC3)CC2)CCC1 ZINC001160360185 1311696786 /nfs/dbraw/zinc/69/67/86/1311696786.db2.gz LHWYDRUOSSKBKB-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360890 1311697019 /nfs/dbraw/zinc/69/70/19/1311697019.db2.gz YDGFLNZQQKVDCA-UEKDZROGSA-N 1 3 333.520 2.821 20 0 EFADHO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360890 1311697022 /nfs/dbraw/zinc/69/70/22/1311697022.db2.gz YDGFLNZQQKVDCA-UEKDZROGSA-N 1 3 333.520 2.821 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421486 1311706881 /nfs/dbraw/zinc/70/68/81/1311706881.db2.gz SGQCGVPGFRBSJS-IBGZPJMESA-N 1 3 349.519 2.656 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001160426128 1311707413 /nfs/dbraw/zinc/70/74/13/1311707413.db2.gz DPNFSEYMKCATNT-ROUUACIJSA-N 1 3 337.483 2.959 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427802 1311707421 /nfs/dbraw/zinc/70/74/21/1311707421.db2.gz UJYIKARSBVHPRX-IBGZPJMESA-N 1 3 333.520 2.992 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001160427010 1311707525 /nfs/dbraw/zinc/70/75/25/1311707525.db2.gz LNINKORGPQINIX-MOPGFXCFSA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001160426674 1311707584 /nfs/dbraw/zinc/70/75/84/1311707584.db2.gz ISGVFUJZRYLAEV-INIZCTEOSA-N 1 3 341.446 2.806 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001160426125 1311707594 /nfs/dbraw/zinc/70/75/94/1311707594.db2.gz DPNFSEYMKCATNT-MSOLQXFVSA-N 1 3 337.483 2.959 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001160427776 1311707692 /nfs/dbraw/zinc/70/76/92/1311707692.db2.gz TUFAXWWNJAHICD-DYVFJYSZSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCc1ccccc1Cl)N(C)C ZINC001160428307 1311708106 /nfs/dbraw/zinc/70/81/06/1311708106.db2.gz ZLMIVFXSBTZRBC-KRWDZBQOSA-N 1 3 339.911 2.565 20 0 EFADHO C[NH2+]CC1CCN(C(=O)C[C@@H](N)c2cccc(Cl)c2Cl)CC1 ZINC001160459503 1311714055 /nfs/dbraw/zinc/71/40/55/1311714055.db2.gz MNRGCGUXILAOHW-CQSZACIVSA-N 1 3 344.286 2.841 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902406690 1311717647 /nfs/dbraw/zinc/71/76/47/1311717647.db2.gz QIWVMTHEBWGVSM-WOJBJXKFSA-N 1 3 345.531 2.564 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001160479157 1311720080 /nfs/dbraw/zinc/72/00/80/1311720080.db2.gz QTGYXSBIEXRDCG-GOSISDBHSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001160479157 1311720082 /nfs/dbraw/zinc/72/00/82/1311720082.db2.gz QTGYXSBIEXRDCG-GOSISDBHSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001226774104 1311721088 /nfs/dbraw/zinc/72/10/88/1311721088.db2.gz KAHQGVVOZGKGLV-QRVBRYPASA-N 1 3 347.478 2.683 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)CCC1 ZINC001226781755 1311722442 /nfs/dbraw/zinc/72/24/42/1311722442.db2.gz AKBWFDDCZXHKJY-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001226783188 1311722986 /nfs/dbraw/zinc/72/29/86/1311722986.db2.gz UXAYCZHWXJXMQC-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)C1CC1 ZINC001226801141 1311725050 /nfs/dbraw/zinc/72/50/50/1311725050.db2.gz SYCGKZAPIVDQDY-AQNXPRMDSA-N 1 3 343.515 2.586 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001226799825 1311725369 /nfs/dbraw/zinc/72/53/69/1311725369.db2.gz DJVUAAYWBINZAO-AQNXPRMDSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)Cc1cccc2cccnc21 ZINC001160537480 1311731793 /nfs/dbraw/zinc/73/17/93/1311731793.db2.gz LMADOGIJEJGGQA-SFHVURJKSA-N 1 3 342.487 2.689 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048415279 1311753407 /nfs/dbraw/zinc/75/34/07/1311753407.db2.gz AUPFKIRCXHHAGC-MJGOQNOKSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001048418123 1311755146 /nfs/dbraw/zinc/75/51/46/1311755146.db2.gz PQCDNFKFECCCMS-SJLPKXTDSA-N 1 3 349.544 2.664 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001048418124 1311755231 /nfs/dbraw/zinc/75/52/31/1311755231.db2.gz PQCDNFKFECCCMS-WMZOPIPTSA-N 1 3 349.544 2.664 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048417979 1311755360 /nfs/dbraw/zinc/75/53/60/1311755360.db2.gz PAXZDWXKGVMUMJ-MJGOQNOKSA-N 1 3 349.563 2.839 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1)N(C)C ZINC001227057560 1311756110 /nfs/dbraw/zinc/75/61/10/1311756110.db2.gz VHMACGNTBYWWBV-BRWVUGGUSA-N 1 3 337.533 2.914 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001227057573 1311756344 /nfs/dbraw/zinc/75/63/44/1311756344.db2.gz VZHOTTGTEVXVSM-VAMGGRTRSA-N 1 3 345.531 2.895 20 0 EFADHO COc1ccc([C@H](C)N(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001160686155 1311760037 /nfs/dbraw/zinc/76/00/37/1311760037.db2.gz PNPJLLIZHZTAJM-YJBOKZPZSA-N 1 3 335.492 2.710 20 0 EFADHO N[C@H](C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21)C1CCCCC1 ZINC001160698835 1311762430 /nfs/dbraw/zinc/76/24/30/1311762430.db2.gz SKOGBIDHQAIAAA-SFHVURJKSA-N 1 3 327.472 2.562 20 0 EFADHO O=C([C@@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2)N1CC=CC1 ZINC001277183060 1311765909 /nfs/dbraw/zinc/76/59/09/1311765909.db2.gz LARPAOKJXUMAPI-FPOVZHCZSA-N 1 3 345.531 2.753 20 0 EFADHO O=C([C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2)N1CCCCO1 ZINC001277183045 1311765983 /nfs/dbraw/zinc/76/59/83/1311765983.db2.gz KOYIXYZTVCZXQA-SFHVURJKSA-N 1 3 349.519 2.519 20 0 EFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H]1C=CCC1 ZINC001227164642 1311770675 /nfs/dbraw/zinc/77/06/75/1311770675.db2.gz LIIGXWVHPSVNBF-LJQANCHMSA-N 1 3 331.504 2.969 20 0 EFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H]1C=CCC1 ZINC001227164641 1311771020 /nfs/dbraw/zinc/77/10/20/1311771020.db2.gz LIIGXWVHPSVNBF-IBGZPJMESA-N 1 3 331.504 2.969 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000902472941 1311771277 /nfs/dbraw/zinc/77/12/77/1311771277.db2.gz MBOYIPBSUCCJKV-IBGZPJMESA-N 1 3 325.456 2.585 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000902472941 1311771281 /nfs/dbraw/zinc/77/12/81/1311771281.db2.gz MBOYIPBSUCCJKV-IBGZPJMESA-N 1 3 325.456 2.585 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908576 1311794212 /nfs/dbraw/zinc/79/42/12/1311794212.db2.gz IRRUDFZACDRTJK-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO CC(C)(C(=O)NC1CC[NH+](CCCCCF)CC1)N1CCCCC1 ZINC001227380666 1311800230 /nfs/dbraw/zinc/80/02/30/1311800230.db2.gz LILLLIWBQBEBCD-UHFFFAOYSA-N 1 3 341.515 2.971 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001160883232 1311802412 /nfs/dbraw/zinc/80/24/12/1311802412.db2.gz IJCKMEUQZIUJLS-DLBZAZTESA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001160889131 1311803719 /nfs/dbraw/zinc/80/37/19/1311803719.db2.gz DZPJQFYEDKWEEV-OAHLLOKOSA-N 1 3 345.409 2.642 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001227618748 1311831595 /nfs/dbraw/zinc/83/15/95/1311831595.db2.gz IZTAUNIQELRKHI-IBGZPJMESA-N 1 3 349.494 2.756 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227661807 1311836535 /nfs/dbraw/zinc/83/65/35/1311836535.db2.gz LFXKVMVWANLMOZ-KRWDZBQOSA-N 1 3 327.488 2.581 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)[C@H](C1CC1)N1CCCC1 ZINC001227704428 1311842726 /nfs/dbraw/zinc/84/27/26/1311842726.db2.gz YQKFUFJUTQLDHE-VCDNTFEOSA-N 1 3 339.911 2.630 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161051403 1311846927 /nfs/dbraw/zinc/84/69/27/1311846927.db2.gz VCGHWUMFLTVRTO-QYZOEREBSA-N 1 3 329.488 2.811 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161051403 1311846929 /nfs/dbraw/zinc/84/69/29/1311846929.db2.gz VCGHWUMFLTVRTO-QYZOEREBSA-N 1 3 329.488 2.811 20 0 EFADHO C[N@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CC2CCC2)CC1 ZINC001161058634 1311848726 /nfs/dbraw/zinc/84/87/26/1311848726.db2.gz ZYWHSAYHKIMGPT-IBGZPJMESA-N 1 3 347.478 2.766 20 0 EFADHO C[N@@H+](Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H](N)CC2CCC2)CC1 ZINC001161058634 1311848729 /nfs/dbraw/zinc/84/87/29/1311848729.db2.gz ZYWHSAYHKIMGPT-IBGZPJMESA-N 1 3 347.478 2.766 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161064653 1311850490 /nfs/dbraw/zinc/85/04/90/1311850490.db2.gz QYCSUVJYZFYYCM-RBSFLKMASA-N 1 3 343.393 2.824 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161064655 1311850581 /nfs/dbraw/zinc/85/05/81/1311850581.db2.gz QYCSUVJYZFYYCM-ZNMIVQPWSA-N 1 3 343.393 2.824 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)C1(C)CC[NH2+]CC1 ZINC001161073120 1311851991 /nfs/dbraw/zinc/85/19/91/1311851991.db2.gz IPTDTMKYYLJFCE-CQSZACIVSA-N 1 3 343.393 2.696 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001227792003 1311856366 /nfs/dbraw/zinc/85/63/66/1311856366.db2.gz JISPWZQEIRTKNL-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227796877 1311857501 /nfs/dbraw/zinc/85/75/01/1311857501.db2.gz CZWAMSAACCTTQH-BEFAXECRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227798443 1311857849 /nfs/dbraw/zinc/85/78/49/1311857849.db2.gz YVWTXDANCSLVTI-AUUYWEPGSA-N 1 3 347.478 2.808 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](CCCCC(F)(F)F)CC2)CCC1 ZINC001227806893 1311859068 /nfs/dbraw/zinc/85/90/68/1311859068.db2.gz HHXHZYHDTQUZHE-UHFFFAOYSA-N 1 3 349.441 2.784 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1C ZINC001227807817 1311859421 /nfs/dbraw/zinc/85/94/21/1311859421.db2.gz XJDTYINGDQTPCP-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1)C1CC1 ZINC001227817842 1311860604 /nfs/dbraw/zinc/86/06/04/1311860604.db2.gz NLTQUJLQRYLSHS-HNNXBMFYSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001227817918 1311861058 /nfs/dbraw/zinc/86/10/58/1311861058.db2.gz PDHQDFKXRRNGIO-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCCc2ccsc2)CC1)C1CCC1 ZINC001227832191 1311863628 /nfs/dbraw/zinc/86/36/28/1311863628.db2.gz GHQXXNVYZSHNSD-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccc(CN(C(=O)[C@H](N)C(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161396940 1311878592 /nfs/dbraw/zinc/87/85/92/1311878592.db2.gz SAYLRUQXWPOTAU-BZSNNMDCSA-N 1 3 331.504 2.967 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015054147 1311884299 /nfs/dbraw/zinc/88/42/99/1311884299.db2.gz UVQMENXOSNSPHV-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015054147 1311884300 /nfs/dbraw/zinc/88/43/00/1311884300.db2.gz UVQMENXOSNSPHV-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001015054694 1311884572 /nfs/dbraw/zinc/88/45/72/1311884572.db2.gz YRBBKHQVJVDOCX-VQTJNVASSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001015054694 1311884573 /nfs/dbraw/zinc/88/45/73/1311884573.db2.gz YRBBKHQVJVDOCX-VQTJNVASSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001015056597 1311885736 /nfs/dbraw/zinc/88/57/36/1311885736.db2.gz HAKBQVGSHJQSMU-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001015056597 1311885739 /nfs/dbraw/zinc/88/57/39/1311885739.db2.gz HAKBQVGSHJQSMU-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO O=C(c1ccc2c(c1)CNC2)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161436920 1311889100 /nfs/dbraw/zinc/88/91/00/1311889100.db2.gz QSUOHDKFWGIOCN-UHFFFAOYSA-N 1 3 335.451 2.684 20 0 EFADHO Cc1cc(OC(C)C)ccc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450663 1311892714 /nfs/dbraw/zinc/89/27/14/1311892714.db2.gz HHJQAJPLRHQVDQ-QGZVFWFLSA-N 1 3 347.503 2.538 20 0 EFADHO CN(C)CCN(C(=O)c1cc2ccccc2s1)[C@H]1CCC[NH2+]C1 ZINC001161453071 1311893124 /nfs/dbraw/zinc/89/31/24/1311893124.db2.gz YEXDVKCMXNFEFV-HNNXBMFYSA-N 1 3 331.485 2.657 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c(C)c1Cl ZINC001161452457 1311893260 /nfs/dbraw/zinc/89/32/60/1311893260.db2.gz RMUMIPRQAWMKSR-HNNXBMFYSA-N 1 3 337.895 2.713 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015088930 1311903794 /nfs/dbraw/zinc/90/37/94/1311903794.db2.gz GBNRQSROAMQWKQ-MJGOQNOKSA-N 1 3 341.499 2.875 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001048572500 1311920161 /nfs/dbraw/zinc/92/01/61/1311920161.db2.gz LAWDSKKMWIQIHI-MHORFTMASA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001048572500 1311920163 /nfs/dbraw/zinc/92/01/63/1311920163.db2.gz LAWDSKKMWIQIHI-MHORFTMASA-N 1 3 339.499 2.578 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001228260805 1311921696 /nfs/dbraw/zinc/92/16/96/1311921696.db2.gz FIUZWMZOJOCVLR-CHWSQXEVSA-N 1 3 336.307 2.664 20 0 EFADHO O=C(N[C@@H]1CCN(C/C=C\c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015117235 1311922443 /nfs/dbraw/zinc/92/24/43/1311922443.db2.gz DXUCYHLJPZDPIN-BQHGXPCASA-N 1 3 346.434 2.852 20 0 EFADHO CC(C)c1cccc(CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)n1 ZINC001228365277 1311937181 /nfs/dbraw/zinc/93/71/81/1311937181.db2.gz AFILJNAVNNSOGN-RTBURBONSA-N 1 3 346.519 2.674 20 0 EFADHO CC[NH+](CC)Cc1cc(OC)ccc1NCCCN1CCN(C)CC1 ZINC001161712075 1311957953 /nfs/dbraw/zinc/95/79/53/1311957953.db2.gz YDLDVTVNHCNQGB-UHFFFAOYSA-N 1 3 348.535 2.586 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](Cc2cccc(C)c2)CC1 ZINC001161755460 1311965748 /nfs/dbraw/zinc/96/57/48/1311965748.db2.gz YODXXFIMVKVXNT-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001161755460 1311965749 /nfs/dbraw/zinc/96/57/49/1311965749.db2.gz YODXXFIMVKVXNT-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001228595789 1311967352 /nfs/dbraw/zinc/96/73/52/1311967352.db2.gz ZPYUHKANTAXARQ-BFHYXJOUSA-N 1 3 348.318 2.807 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001228595790 1311967648 /nfs/dbraw/zinc/96/76/48/1311967648.db2.gz ZPYUHKANTAXARQ-MGPQQGTHSA-N 1 3 348.318 2.807 20 0 EFADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)CC1 ZINC001048624030 1311980571 /nfs/dbraw/zinc/98/05/71/1311980571.db2.gz BYCUTFOBTOTLPO-QAQDUYKDSA-N 1 3 331.504 2.894 20 0 EFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c2cc[nH]c21 ZINC001277324748 1311989856 /nfs/dbraw/zinc/98/98/56/1311989856.db2.gz SMTVNNQBOONBHB-IYBDPMFKSA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2=CC[N@H+](CC3CC3)CC2)c1 ZINC001161931368 1312006750 /nfs/dbraw/zinc/00/67/50/1312006750.db2.gz MYIJULITCSLLOD-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2=CC[N@@H+](CC3CC3)CC2)c1 ZINC001161931368 1312006753 /nfs/dbraw/zinc/00/67/53/1312006753.db2.gz MYIJULITCSLLOD-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO CCC[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938719 1312008728 /nfs/dbraw/zinc/00/87/28/1312008728.db2.gz VACUYQKRJOWPTK-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938719 1312008732 /nfs/dbraw/zinc/00/87/32/1312008732.db2.gz VACUYQKRJOWPTK-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228865141 1312012087 /nfs/dbraw/zinc/01/20/87/1312012087.db2.gz SMEQCMYOVLKFTF-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001161953649 1312013089 /nfs/dbraw/zinc/01/30/89/1312013089.db2.gz ZAYPQXBOCFDRJL-WMZOPIPTSA-N 1 3 339.499 2.747 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161953649 1312013090 /nfs/dbraw/zinc/01/30/90/1312013090.db2.gz ZAYPQXBOCFDRJL-WMZOPIPTSA-N 1 3 339.499 2.747 20 0 EFADHO CCc1ccc(CN2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)cc1 ZINC001228888571 1312015471 /nfs/dbraw/zinc/01/54/71/1312015471.db2.gz ILKLFLMOSFJGSS-UHFFFAOYSA-N 1 3 343.515 2.671 20 0 EFADHO COc1cccc(C2(Nc3cc(CN(C)C)ccn3)CC[NH2+]CC2)c1 ZINC001161997000 1312025072 /nfs/dbraw/zinc/02/50/72/1312025072.db2.gz BIYQCHLSVBWJAK-UHFFFAOYSA-N 1 3 340.471 2.843 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC001229000043 1312034591 /nfs/dbraw/zinc/03/45/91/1312034591.db2.gz XQDSMSJXWZCCLB-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC001229185283 1312058392 /nfs/dbraw/zinc/05/83/92/1312058392.db2.gz KSGAIBUYDWLODD-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CCC(CC)C[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001229215573 1312062583 /nfs/dbraw/zinc/06/25/83/1312062583.db2.gz RHSHAAPNLJRLEO-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCC(C)(C)C)CC1)CC(C)(C)C ZINC001229215996 1312062750 /nfs/dbraw/zinc/06/27/50/1312062750.db2.gz XDNRZQUJISVXEV-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC001229231680 1312065022 /nfs/dbraw/zinc/06/50/22/1312065022.db2.gz SRISUHJDOINOFN-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CCC(F)(F)CC2)CC1)N(C)C ZINC001229254621 1312068297 /nfs/dbraw/zinc/06/82/97/1312068297.db2.gz WXOQIBYPMONTAP-INIZCTEOSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001229253886 1312068655 /nfs/dbraw/zinc/06/86/55/1312068655.db2.gz MJZHXIFMSCUATQ-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902745542 1312071596 /nfs/dbraw/zinc/07/15/96/1312071596.db2.gz QJDFQWRYTWRRSM-CQSZACIVSA-N 1 3 344.425 2.779 20 0 EFADHO NCc1cc(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)ncn1 ZINC001162233786 1312072636 /nfs/dbraw/zinc/07/26/36/1312072636.db2.gz QNJZZEZTHDDMFS-QGZVFWFLSA-N 1 3 329.423 2.617 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015386025 1312088978 /nfs/dbraw/zinc/08/89/78/1312088978.db2.gz GERPDPUHOLGXNX-WOJBJXKFSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015386025 1312088982 /nfs/dbraw/zinc/08/89/82/1312088982.db2.gz GERPDPUHOLGXNX-WOJBJXKFSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390509 1312091183 /nfs/dbraw/zinc/09/11/83/1312091183.db2.gz CZLGJWLRBFNQQZ-RTBURBONSA-N 1 3 345.531 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390509 1312091187 /nfs/dbraw/zinc/09/11/87/1312091187.db2.gz CZLGJWLRBFNQQZ-RTBURBONSA-N 1 3 345.531 2.632 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@@H]3CCC[NH2+]C[C@H]3C)cn2)CC1 ZINC001162456122 1312106764 /nfs/dbraw/zinc/10/67/64/1312106764.db2.gz GGQVFRGDGQBLHA-MSOLQXFVSA-N 1 3 345.535 2.660 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CCN(Cc1ccco1)CC2 ZINC001277398849 1312112953 /nfs/dbraw/zinc/11/29/53/1312112953.db2.gz CDGQWXLODHWWDA-SFHVURJKSA-N 1 3 347.503 2.682 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902833267 1312142008 /nfs/dbraw/zinc/14/20/08/1312142008.db2.gz YPPKNSHFOXUSJX-ZDUSSCGKSA-N 1 3 344.425 2.777 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC001229859934 1312150445 /nfs/dbraw/zinc/15/04/45/1312150445.db2.gz IKZBPNWEZPATFO-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001229860475 1312150524 /nfs/dbraw/zinc/15/05/24/1312150524.db2.gz UKCZWLAPXNCZGC-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001015497134 1312152836 /nfs/dbraw/zinc/15/28/36/1312152836.db2.gz ARVPBYPSWBVLJR-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001015497134 1312152840 /nfs/dbraw/zinc/15/28/40/1312152840.db2.gz ARVPBYPSWBVLJR-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499870 1312154742 /nfs/dbraw/zinc/15/47/42/1312154742.db2.gz RHNUOUVZDODWIJ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499870 1312154744 /nfs/dbraw/zinc/15/47/44/1312154744.db2.gz RHNUOUVZDODWIJ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501415 1312155134 /nfs/dbraw/zinc/15/51/34/1312155134.db2.gz ZZVFUEJQLVDBSA-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001229895929 1312155797 /nfs/dbraw/zinc/15/57/97/1312155797.db2.gz QTKJUTYBXRVTTP-UHFFFAOYSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001229895929 1312155800 /nfs/dbraw/zinc/15/58/00/1312155800.db2.gz QTKJUTYBXRVTTP-UHFFFAOYSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001229907911 1312157909 /nfs/dbraw/zinc/15/79/09/1312157909.db2.gz BUGHOVHRAPUEJL-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001229907911 1312157912 /nfs/dbraw/zinc/15/79/12/1312157912.db2.gz BUGHOVHRAPUEJL-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001229909017 1312158781 /nfs/dbraw/zinc/15/87/81/1312158781.db2.gz RIMPKDSKCPOWIJ-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@H](C)c2ccc(F)cc2)CC1 ZINC001229909017 1312158782 /nfs/dbraw/zinc/15/87/82/1312158782.db2.gz RIMPKDSKCPOWIJ-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CC(C)C ZINC001229933346 1312160983 /nfs/dbraw/zinc/16/09/83/1312160983.db2.gz LOFSDPYJKDMIKT-USXIJHARSA-N 1 3 334.508 2.960 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820795 1312165385 /nfs/dbraw/zinc/16/53/85/1312165385.db2.gz PFJXEVPTYVSTJR-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820795 1312165389 /nfs/dbraw/zinc/16/53/89/1312165389.db2.gz PFJXEVPTYVSTJR-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1ccc(OCCC[NH+](C)C)nc1 ZINC001162777567 1312173925 /nfs/dbraw/zinc/17/39/25/1312173925.db2.gz UODWAASHDMDATE-AWEZNQCLSA-N 1 3 339.443 2.771 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001230101687 1312187040 /nfs/dbraw/zinc/18/70/40/1312187040.db2.gz XZYOFVVQYITYPI-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](CC)N(C)C ZINC001162841511 1312187995 /nfs/dbraw/zinc/18/79/95/1312187995.db2.gz VVBCRDAZLPCFJO-LJQANCHMSA-N 1 3 333.520 2.788 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC001230112905 1312188617 /nfs/dbraw/zinc/18/86/17/1312188617.db2.gz GMKKHKDMJHWPOF-HNNXBMFYSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N(C)CC ZINC001162850788 1312189895 /nfs/dbraw/zinc/18/98/95/1312189895.db2.gz RHECMTULYQZSLR-UHFFFAOYSA-N 1 3 333.520 2.788 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860098 1312202745 /nfs/dbraw/zinc/20/27/45/1312202745.db2.gz GUGWNSDYLXIOEC-QRQLOZEOSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860098 1312202748 /nfs/dbraw/zinc/20/27/48/1312202748.db2.gz GUGWNSDYLXIOEC-QRQLOZEOSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162918746 1312203951 /nfs/dbraw/zinc/20/39/51/1312203951.db2.gz HYXFEDKRPJHLSI-HXUWFJFHSA-N 1 3 347.547 2.890 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597214 1312205160 /nfs/dbraw/zinc/20/51/60/1312205160.db2.gz OPPJZPLHKQPMLX-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597214 1312205163 /nfs/dbraw/zinc/20/51/63/1312205163.db2.gz OPPJZPLHKQPMLX-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928093 1312205507 /nfs/dbraw/zinc/20/55/07/1312205507.db2.gz FBMHFQCCMGMGEY-SFHVURJKSA-N 1 3 331.504 2.540 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162929263 1312206256 /nfs/dbraw/zinc/20/62/56/1312206256.db2.gz UUSKOPMDLFQWBY-LJQANCHMSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)CCC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679721 1312207183 /nfs/dbraw/zinc/20/71/83/1312207183.db2.gz OQMFNKFVHSTIBH-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864947 1312207153 /nfs/dbraw/zinc/20/71/53/1312207153.db2.gz RPCMQALIXMXWGY-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864947 1312207155 /nfs/dbraw/zinc/20/71/55/1312207155.db2.gz RPCMQALIXMXWGY-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001230266746 1312212825 /nfs/dbraw/zinc/21/28/25/1312212825.db2.gz XXNMXJPMLAUQOE-QZTJIDSGSA-N 1 3 335.467 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC001230274959 1312213657 /nfs/dbraw/zinc/21/36/57/1312213657.db2.gz VWXLFMIOXKSALZ-RTBURBONSA-N 1 3 331.504 2.586 20 0 EFADHO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230280119 1312214475 /nfs/dbraw/zinc/21/44/75/1312214475.db2.gz OGUQTJAHTJZPLC-RTBURBONSA-N 1 3 347.503 2.552 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)N1CCCCC1 ZINC001230284589 1312215519 /nfs/dbraw/zinc/21/55/19/1312215519.db2.gz MLQJKNWIOHQNLB-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]3C2)cs1 ZINC001048875757 1312216098 /nfs/dbraw/zinc/21/60/98/1312216098.db2.gz MACYTQNMSPJGEV-KSZLIROESA-N 1 3 349.544 2.533 20 0 EFADHO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]3C2)cs1 ZINC001048875757 1312216102 /nfs/dbraw/zinc/21/61/02/1312216102.db2.gz MACYTQNMSPJGEV-KSZLIROESA-N 1 3 349.544 2.533 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001048887549 1312225982 /nfs/dbraw/zinc/22/59/82/1312225982.db2.gz BGHTWPIDCDCKDQ-VYCZESIESA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001048887549 1312225984 /nfs/dbraw/zinc/22/59/84/1312225984.db2.gz BGHTWPIDCDCKDQ-VYCZESIESA-N 1 3 347.478 2.617 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001230366822 1312230188 /nfs/dbraw/zinc/23/01/88/1312230188.db2.gz JOMJGSPMXYDYRE-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO COc1cccc([C@@H](C)[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230366686 1312230281 /nfs/dbraw/zinc/23/02/81/1312230281.db2.gz CRVTULWTFQHAEH-MRXNPFEDSA-N 1 3 347.503 2.677 20 0 EFADHO CNCc1cc(N[C@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)ncn1 ZINC001163031451 1312230437 /nfs/dbraw/zinc/23/04/37/1312230437.db2.gz PWOVKWIRHOXITQ-SFHVURJKSA-N 1 3 337.471 2.683 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(SC)nc2sccc21 ZINC001163123017 1312245662 /nfs/dbraw/zinc/24/56/62/1312245662.db2.gz VKRMTTGSRREFSX-UHFFFAOYSA-N 1 3 338.506 2.691 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2sc3c(c21)CCC3 ZINC001163128355 1312246687 /nfs/dbraw/zinc/24/66/87/1312246687.db2.gz HKHWHIATCRWENA-UHFFFAOYSA-N 1 3 346.504 2.766 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C(C)C)nc(Cl)c1C ZINC001163129478 1312246815 /nfs/dbraw/zinc/24/68/15/1312246815.db2.gz KZMSARZUOBVGEF-UHFFFAOYSA-N 1 3 326.876 2.840 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C(C)(C)C)nc2[nH]ccc21 ZINC001163129485 1312246981 /nfs/dbraw/zinc/24/69/81/1312246981.db2.gz ZZZPPULLDVRFSO-UHFFFAOYSA-N 1 3 331.468 2.533 20 0 EFADHO CN(Cc1ccc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)nc1)C1CC1 ZINC001163222138 1312267460 /nfs/dbraw/zinc/26/74/60/1312267460.db2.gz YUKKTINFPUTWAO-UHFFFAOYSA-N 1 3 333.439 2.987 20 0 EFADHO Clc1cc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c2c(n1)CNCC2 ZINC001163274404 1312280209 /nfs/dbraw/zinc/28/02/09/1312280209.db2.gz PKFPHHDLBIKBQQ-AWEZNQCLSA-N 1 3 328.847 2.507 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001230610456 1312282429 /nfs/dbraw/zinc/28/24/29/1312282429.db2.gz BEPYJRFXQJFTFO-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001230610456 1312282432 /nfs/dbraw/zinc/28/24/32/1312282432.db2.gz BEPYJRFXQJFTFO-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO Fc1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1CN1CCCC1 ZINC001163291392 1312283477 /nfs/dbraw/zinc/28/34/77/1312283477.db2.gz PSZOQQKRBGRTSL-JXFKEZNVSA-N 1 3 347.478 2.992 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001230617829 1312285671 /nfs/dbraw/zinc/28/56/71/1312285671.db2.gz GNPMYXJHIRCEJD-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@H](F)CC)CC1 ZINC001230617829 1312285675 /nfs/dbraw/zinc/28/56/75/1312285675.db2.gz GNPMYXJHIRCEJD-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001163312987 1312287212 /nfs/dbraw/zinc/28/72/12/1312287212.db2.gz ABIHYHFWKRSVFK-SCTDSRPQSA-N 1 3 330.476 2.561 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230628026 1312289082 /nfs/dbraw/zinc/28/90/82/1312289082.db2.gz FXFFUFBOIDBZQA-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230628026 1312289086 /nfs/dbraw/zinc/28/90/86/1312289086.db2.gz FXFFUFBOIDBZQA-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630378 1312290678 /nfs/dbraw/zinc/29/06/78/1312290678.db2.gz SEXINNVEXXAGRN-LJQANCHMSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630378 1312290682 /nfs/dbraw/zinc/29/06/82/1312290682.db2.gz SEXINNVEXXAGRN-LJQANCHMSA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000903060355 1312317024 /nfs/dbraw/zinc/31/70/24/1312317024.db2.gz XFSCIVTUEKZCDB-TTYZWEQKSA-N 1 3 335.536 2.622 20 0 EFADHO C[C@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903060355 1312317027 /nfs/dbraw/zinc/31/70/27/1312317027.db2.gz XFSCIVTUEKZCDB-TTYZWEQKSA-N 1 3 335.536 2.622 20 0 EFADHO CCCC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1 ZINC001230778647 1312339809 /nfs/dbraw/zinc/33/98/09/1312339809.db2.gz VFXRNTGFCWPOQY-UHFFFAOYSA-N 1 3 346.519 2.674 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1 ZINC001230778647 1312339811 /nfs/dbraw/zinc/33/98/11/1312339811.db2.gz VFXRNTGFCWPOQY-UHFFFAOYSA-N 1 3 346.519 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001015792412 1312361534 /nfs/dbraw/zinc/36/15/34/1312361534.db2.gz WTOVEALHVAUPOV-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001015792412 1312361537 /nfs/dbraw/zinc/36/15/37/1312361537.db2.gz WTOVEALHVAUPOV-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001015791892 1312361673 /nfs/dbraw/zinc/36/16/73/1312361673.db2.gz OTCSVPAIDZGAJR-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001015791892 1312361676 /nfs/dbraw/zinc/36/16/76/1312361676.db2.gz OTCSVPAIDZGAJR-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015793807 1312362147 /nfs/dbraw/zinc/36/21/47/1312362147.db2.gz DETHGININMTROJ-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@@H](C(=O)NCCCN(CC)Cc1cccnc1)[NH+](CC)CC ZINC001230846477 1312368951 /nfs/dbraw/zinc/36/89/51/1312368951.db2.gz KUFMKIQCQHDLJQ-SFHVURJKSA-N 1 3 334.508 2.530 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846637 1312370049 /nfs/dbraw/zinc/37/00/49/1312370049.db2.gz SEKASQFTTOOADO-SFHVURJKSA-N 1 3 346.519 2.674 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846637 1312370050 /nfs/dbraw/zinc/37/00/50/1312370050.db2.gz SEKASQFTTOOADO-SFHVURJKSA-N 1 3 346.519 2.674 20 0 EFADHO CC(C)[N@H+](CCCNC(=O)CN(C)CC(C)(C)C)Cc1cccnc1 ZINC001230846656 1312370171 /nfs/dbraw/zinc/37/01/71/1312370171.db2.gz STHKSIMFOQKOTG-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO CC(C)[N@@H+](CCCNC(=O)CN(C)CC(C)(C)C)Cc1cccnc1 ZINC001230846656 1312370175 /nfs/dbraw/zinc/37/01/75/1312370175.db2.gz STHKSIMFOQKOTG-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2Cl)CC1 ZINC001163820917 1312387108 /nfs/dbraw/zinc/38/71/08/1312387108.db2.gz JOLHMXINUISWIH-QGZVFWFLSA-N 1 3 349.906 2.810 20 0 EFADHO CC[C@@H](C)C[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932452 1312396262 /nfs/dbraw/zinc/39/62/62/1312396262.db2.gz VVXYIHXKCIPPLZ-GOSISDBHSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@@H](C)C[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932452 1312396265 /nfs/dbraw/zinc/39/62/65/1312396265.db2.gz VVXYIHXKCIPPLZ-GOSISDBHSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@H](C)C[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932453 1312396360 /nfs/dbraw/zinc/39/63/60/1312396360.db2.gz VVXYIHXKCIPPLZ-SFHVURJKSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@H](C)C[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932453 1312396363 /nfs/dbraw/zinc/39/63/63/1312396363.db2.gz VVXYIHXKCIPPLZ-SFHVURJKSA-N 1 3 348.535 2.776 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001049058013 1312413270 /nfs/dbraw/zinc/41/32/70/1312413270.db2.gz VBSABSZPCCBMGT-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001049058013 1312413274 /nfs/dbraw/zinc/41/32/74/1312413274.db2.gz VBSABSZPCCBMGT-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097191 1312453051 /nfs/dbraw/zinc/45/30/51/1312453051.db2.gz HKJPGGNDGGLLRS-YRXWBPOGSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097191 1312453054 /nfs/dbraw/zinc/45/30/54/1312453054.db2.gz HKJPGGNDGGLLRS-YRXWBPOGSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2C1 ZINC001049097771 1312454084 /nfs/dbraw/zinc/45/40/84/1312454084.db2.gz SPLSFQIRDYUHGC-VWAQSERHSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)C3)C[C@@H]2C1 ZINC001049097771 1312454085 /nfs/dbraw/zinc/45/40/85/1312454085.db2.gz SPLSFQIRDYUHGC-VWAQSERHSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(CCc3cccs3)C2)CC1 ZINC001015929457 1312454127 /nfs/dbraw/zinc/45/41/27/1312454127.db2.gz VEQONFYIOGSQGA-KRWDZBQOSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H](NCc1cc(N(C)C)ccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903202215 1312458874 /nfs/dbraw/zinc/45/88/74/1312458874.db2.gz ZVJDIYUXXCZTHV-MRXNPFEDSA-N 1 3 342.487 2.939 20 0 EFADHO CC[C@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001049114545 1312473624 /nfs/dbraw/zinc/47/36/24/1312473624.db2.gz JBHDJOLDJCVXHB-OTWHNJEPSA-N 1 3 347.478 2.500 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@H]3C2)CC1 ZINC001049130949 1312494073 /nfs/dbraw/zinc/49/40/73/1312494073.db2.gz BKNYSKJFEJZYHY-KDURUIRLSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@H]3C2)CC1 ZINC001049130949 1312494076 /nfs/dbraw/zinc/49/40/76/1312494076.db2.gz BKNYSKJFEJZYHY-KDURUIRLSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3C2)CC1 ZINC001049131693 1312494846 /nfs/dbraw/zinc/49/48/46/1312494846.db2.gz NLDSZQMZLRVMRY-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]3C2)CC1 ZINC001049131693 1312494849 /nfs/dbraw/zinc/49/48/49/1312494849.db2.gz NLDSZQMZLRVMRY-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997506 1312500189 /nfs/dbraw/zinc/50/01/89/1312500189.db2.gz DALVJEHRSNZVBB-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997506 1312500190 /nfs/dbraw/zinc/50/01/90/1312500190.db2.gz DALVJEHRSNZVBB-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1c(F)ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1F ZINC001231478394 1312508111 /nfs/dbraw/zinc/50/81/11/1312508111.db2.gz JHNRIOZMBVHJJF-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cnccc3N(C)C)C2)cs1 ZINC001016008202 1312508918 /nfs/dbraw/zinc/50/89/18/1312508918.db2.gz BMCIUTWCBXZRBW-OAHLLOKOSA-N 1 3 344.484 2.522 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cnccc3N(C)C)C2)cs1 ZINC001016008202 1312508922 /nfs/dbraw/zinc/50/89/22/1312508922.db2.gz BMCIUTWCBXZRBW-OAHLLOKOSA-N 1 3 344.484 2.522 20 0 EFADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536624 1312535273 /nfs/dbraw/zinc/53/52/73/1312535273.db2.gz OSVLFOHHKOHLJH-INIZCTEOSA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C(=O)NCCC1(C[NH2+]CC2CCC2)CC1)N1CCCCC1 ZINC001164535954 1312535540 /nfs/dbraw/zinc/53/55/40/1312535540.db2.gz DTLGBASHNUNEFR-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO FC(F)(F)CCCN1CC2(C1)CC[NH+](CCn1ccnc1)CC2 ZINC001277544425 1312537135 /nfs/dbraw/zinc/53/71/35/1312537135.db2.gz HAQVGVBQJVSPQL-UHFFFAOYSA-N 1 3 330.398 2.623 20 0 EFADHO COCc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001231691487 1312550735 /nfs/dbraw/zinc/55/07/35/1312550735.db2.gz LPZAVMRQKDWOAH-MSOLQXFVSA-N 1 3 341.455 2.775 20 0 EFADHO COCc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)o1 ZINC001231691487 1312550738 /nfs/dbraw/zinc/55/07/38/1312550738.db2.gz LPZAVMRQKDWOAH-MSOLQXFVSA-N 1 3 341.455 2.775 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001165064979 1312561965 /nfs/dbraw/zinc/56/19/65/1312561965.db2.gz AHEFBBPXYLPWCY-UHFFFAOYSA-N 1 3 343.519 2.943 20 0 EFADHO C[NH+]1CC2(C1)CCN(Cc1ccc(NC(=O)OC(C)(C)C)nc1)CC2 ZINC001231841830 1312572925 /nfs/dbraw/zinc/57/29/25/1312572925.db2.gz DRWRQDPIBWUYQR-UHFFFAOYSA-N 1 3 346.475 2.956 20 0 EFADHO c1ccc([C@]23C[NH2+]C[C@H]2CN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001165169419 1312580816 /nfs/dbraw/zinc/58/08/16/1312580816.db2.gz QABMXJBJGJZIJB-RBBKRZOGSA-N 1 3 348.494 2.655 20 0 EFADHO c1ccc([C@]23C[NH2+]C[C@@H]2CN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001165168572 1312580874 /nfs/dbraw/zinc/58/08/74/1312580874.db2.gz LMDAPRCSRCAYLX-IFMALSPDSA-N 1 3 348.494 2.655 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC[C@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC001165279073 1312601049 /nfs/dbraw/zinc/60/10/49/1312601049.db2.gz PIQBHXDBTRONPH-GOSISDBHSA-N 1 3 345.535 2.756 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC[C@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC001165279073 1312601052 /nfs/dbraw/zinc/60/10/52/1312601052.db2.gz PIQBHXDBTRONPH-GOSISDBHSA-N 1 3 345.535 2.756 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001165289487 1312603246 /nfs/dbraw/zinc/60/32/46/1312603246.db2.gz CRUCQFBFHXTQSZ-VQIMIIECSA-N 1 3 342.487 2.744 20 0 EFADHO C[N@H+]1CCC[C@H](CCNc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001165289487 1312603251 /nfs/dbraw/zinc/60/32/51/1312603251.db2.gz CRUCQFBFHXTQSZ-VQIMIIECSA-N 1 3 342.487 2.744 20 0 EFADHO c1c(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232014758 1312605651 /nfs/dbraw/zinc/60/56/51/1312605651.db2.gz OSANHIDTIRDSIO-UYAOXDASSA-N 1 3 348.450 2.900 20 0 EFADHO c1c(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232014758 1312605655 /nfs/dbraw/zinc/60/56/55/1312605655.db2.gz OSANHIDTIRDSIO-UYAOXDASSA-N 1 3 348.450 2.900 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@H]3C2)c1 ZINC001049231607 1312606144 /nfs/dbraw/zinc/60/61/44/1312606144.db2.gz GFHKXHPUASOKPA-SABMVYGASA-N 1 3 347.890 2.505 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231857 1312607281 /nfs/dbraw/zinc/60/72/81/1312607281.db2.gz MYCVSJWBUZIIAV-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231857 1312607285 /nfs/dbraw/zinc/60/72/85/1312607285.db2.gz MYCVSJWBUZIIAV-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001049234366 1312609161 /nfs/dbraw/zinc/60/91/61/1312609161.db2.gz DNPHBIWVXFOZMH-KDURUIRLSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001049234366 1312609166 /nfs/dbraw/zinc/60/91/66/1312609166.db2.gz DNPHBIWVXFOZMH-KDURUIRLSA-N 1 3 341.499 2.552 20 0 EFADHO CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234792 1312609556 /nfs/dbraw/zinc/60/95/56/1312609556.db2.gz IHMZEFISCICPPY-FGTMMUONSA-N 1 3 347.478 2.500 20 0 EFADHO CC[C@@H](F)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234792 1312609560 /nfs/dbraw/zinc/60/95/60/1312609560.db2.gz IHMZEFISCICPPY-FGTMMUONSA-N 1 3 347.478 2.500 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCNCc1ccc(Cl)cc1Cl ZINC001165360455 1312615499 /nfs/dbraw/zinc/61/54/99/1312615499.db2.gz PLWDJSYSQARJJC-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cc1ccc2sc(CNCCCNC(=O)CCC[NH+](C)C)nc2c1 ZINC001165360065 1312615637 /nfs/dbraw/zinc/61/56/37/1312615637.db2.gz MCRHXWHNANANNK-UHFFFAOYSA-N 1 3 348.516 2.542 20 0 EFADHO Cc1ncncc1CN1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277607717 1312617698 /nfs/dbraw/zinc/61/76/98/1312617698.db2.gz UPMXGVVVUVUIAN-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ncncc1CN1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277607717 1312617702 /nfs/dbraw/zinc/61/77/02/1312617702.db2.gz UPMXGVVVUVUIAN-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CC(=O)N1CC[C@H]([N@@H+](Cc2cc(F)cc(CN(C)C)c2)C(C)C)C1 ZINC001232149667 1312634768 /nfs/dbraw/zinc/63/47/68/1312634768.db2.gz OBMMOZSYMBKWNN-IBGZPJMESA-N 1 3 335.467 2.719 20 0 EFADHO CC(=O)N1CC[C@H]([N@H+](Cc2cc(F)cc(CN(C)C)c2)C(C)C)C1 ZINC001232149667 1312634772 /nfs/dbraw/zinc/63/47/72/1312634772.db2.gz OBMMOZSYMBKWNN-IBGZPJMESA-N 1 3 335.467 2.719 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H](F)C2)c1 ZINC001232151629 1312635130 /nfs/dbraw/zinc/63/51/30/1312635130.db2.gz PLDJFTJYSUGUPQ-RBUKOAKNSA-N 1 3 337.458 2.896 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)cs1 ZINC001165485348 1312636727 /nfs/dbraw/zinc/63/67/27/1312636727.db2.gz SPLFWVKOAQUOGL-KRWDZBQOSA-N 1 3 349.544 2.773 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC001165485138 1312636814 /nfs/dbraw/zinc/63/68/14/1312636814.db2.gz NLJXBEVXUHMNGY-QGZVFWFLSA-N 1 3 335.536 2.639 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)C1CC1 ZINC001165485237 1312637192 /nfs/dbraw/zinc/63/71/92/1312637192.db2.gz QCBVAASPCVEIEN-GOSISDBHSA-N 1 3 347.547 2.783 20 0 EFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(C3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001277625295 1312643065 /nfs/dbraw/zinc/64/30/65/1312643065.db2.gz SWGWWVOXGSPYSS-YSIASYRMSA-N 1 3 337.552 2.682 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864240 1314431353 /nfs/dbraw/zinc/43/13/53/1314431353.db2.gz CYNKPHFYQWMWPC-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864240 1314431355 /nfs/dbraw/zinc/43/13/55/1314431355.db2.gz CYNKPHFYQWMWPC-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052898618 1314459428 /nfs/dbraw/zinc/45/94/28/1314459428.db2.gz GBOVBHMODMDFKE-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052898618 1314459432 /nfs/dbraw/zinc/45/94/32/1314459432.db2.gz GBOVBHMODMDFKE-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052899235 1314460636 /nfs/dbraw/zinc/46/06/36/1314460636.db2.gz PRJWNZKWIMRAHH-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052899235 1314460638 /nfs/dbraw/zinc/46/06/38/1314460638.db2.gz PRJWNZKWIMRAHH-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052899153 1314460808 /nfs/dbraw/zinc/46/08/08/1314460808.db2.gz NQMWDEVIHOBFRD-OAHLLOKOSA-N 1 3 346.500 2.536 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052899153 1314460811 /nfs/dbraw/zinc/46/08/11/1314460811.db2.gz NQMWDEVIHOBFRD-OAHLLOKOSA-N 1 3 346.500 2.536 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001211267539 1314466362 /nfs/dbraw/zinc/46/63/62/1314466362.db2.gz BVYXLOVHMAJRBJ-KOTDBNOLSA-N 1 3 329.488 2.621 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001211269314 1314466689 /nfs/dbraw/zinc/46/66/89/1314466689.db2.gz PQFXBVOQQOYMKT-KRWDZBQOSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001211276291 1314467742 /nfs/dbraw/zinc/46/77/42/1314467742.db2.gz FBJJLWKDPIJATD-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211270185 1314467781 /nfs/dbraw/zinc/46/77/81/1314467781.db2.gz YKJSAKYFTTWWBH-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211282519 1314468998 /nfs/dbraw/zinc/46/89/98/1314468998.db2.gz AZLRWDMQRVUULO-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001211283608 1314469134 /nfs/dbraw/zinc/46/91/34/1314469134.db2.gz HGTVGEGJOIEEBK-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001211286843 1314469687 /nfs/dbraw/zinc/46/96/87/1314469687.db2.gz YBXKYTYROVILDE-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001211284595 1314469748 /nfs/dbraw/zinc/46/97/48/1314469748.db2.gz NEBXRYDOLLVNCP-JKSUJKDBSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001211285573 1314469880 /nfs/dbraw/zinc/46/98/80/1314469880.db2.gz PRCJCBJURSWXDG-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001211343820 1314479938 /nfs/dbraw/zinc/47/99/38/1314479938.db2.gz NTMBWHATECUWJE-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N1CCCC1 ZINC001211358796 1314483523 /nfs/dbraw/zinc/48/35/23/1314483523.db2.gz MAYWFEMDJVVFHW-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N1CCCC1 ZINC001211358796 1314483526 /nfs/dbraw/zinc/48/35/26/1314483526.db2.gz MAYWFEMDJVVFHW-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376974 1314487867 /nfs/dbraw/zinc/48/78/67/1314487867.db2.gz QXTFAUUJFXBWDT-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376974 1314487870 /nfs/dbraw/zinc/48/78/70/1314487870.db2.gz QXTFAUUJFXBWDT-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N1CCCC1 ZINC001211376217 1314488265 /nfs/dbraw/zinc/48/82/65/1314488265.db2.gz HZBMMGIYFKSLMO-BHIYHBOVSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N1CCCC1 ZINC001211376217 1314488268 /nfs/dbraw/zinc/48/82/68/1314488268.db2.gz HZBMMGIYFKSLMO-BHIYHBOVSA-N 1 3 349.563 2.980 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376141 1314488467 /nfs/dbraw/zinc/48/84/67/1314488467.db2.gz HJKXZRVINRKBFX-IWOQZAADSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376141 1314488470 /nfs/dbraw/zinc/48/84/70/1314488470.db2.gz HJKXZRVINRKBFX-IWOQZAADSA-N 1 3 335.536 2.900 20 0 EFADHO c1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1O[C@H]1CC[NH2+]C1 ZINC001245426846 1314488782 /nfs/dbraw/zinc/48/87/82/1314488782.db2.gz KFIRZTWMOYPKGF-QUCCMNQESA-N 1 3 328.456 2.695 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932076 1314491036 /nfs/dbraw/zinc/49/10/36/1314491036.db2.gz GZDPVAHUSQWOGX-IAGOWNOFSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932076 1314491041 /nfs/dbraw/zinc/49/10/41/1314491041.db2.gz GZDPVAHUSQWOGX-IAGOWNOFSA-N 1 3 349.906 2.762 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052956679 1314516395 /nfs/dbraw/zinc/51/63/95/1314516395.db2.gz XDUMTJYPHSSLDZ-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052956679 1314516400 /nfs/dbraw/zinc/51/64/00/1314516400.db2.gz XDUMTJYPHSSLDZ-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO CC(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052983723 1314541557 /nfs/dbraw/zinc/54/15/57/1314541557.db2.gz DDUKHVJXOVKBQO-KDURUIRLSA-N 1 3 333.520 2.582 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC(C)CC2)CC1 ZINC001052985255 1314542661 /nfs/dbraw/zinc/54/26/61/1314542661.db2.gz DSQKLQUIQGNVFW-JKKSXJTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC(C)CC2)CC1 ZINC001052985255 1314542665 /nfs/dbraw/zinc/54/26/65/1314542665.db2.gz DSQKLQUIQGNVFW-JKKSXJTRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986947 1314543881 /nfs/dbraw/zinc/54/38/81/1314543881.db2.gz XWIOTBCWWXLMBP-KCUHQSDYSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986947 1314543884 /nfs/dbraw/zinc/54/38/84/1314543884.db2.gz XWIOTBCWWXLMBP-KCUHQSDYSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245981460 1314559020 /nfs/dbraw/zinc/55/90/20/1314559020.db2.gz HAWSQNOHSYMYIS-RYRKJORJSA-N 1 3 334.504 2.559 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)COc1cccc2ccccc21 ZINC001245983298 1314559051 /nfs/dbraw/zinc/55/90/51/1314559051.db2.gz OCOGDGWQFPBHKF-SZMVWBNQSA-N 1 3 328.456 2.557 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245983003 1314559198 /nfs/dbraw/zinc/55/91/98/1314559198.db2.gz KPULYEFZMQGKJF-WSTLGDPDSA-N 1 3 346.515 2.702 20 0 EFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001245993107 1314561526 /nfs/dbraw/zinc/56/15/26/1314561526.db2.gz MXOZEKZBIZOQNE-LZLYRXPVSA-N 1 3 334.504 2.559 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245992431 1314561814 /nfs/dbraw/zinc/56/18/14/1314561814.db2.gz ISZWHSFTBZEBFO-ZOCIIQOWSA-N 1 3 332.875 2.792 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@]2(C)CCC[NH2+]CC2)cc1 ZINC001245991345 1314561888 /nfs/dbraw/zinc/56/18/88/1314561888.db2.gz JYUBPEZVKSWYEI-PXNSSMCTSA-N 1 3 334.504 2.846 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245995076 1314562503 /nfs/dbraw/zinc/56/25/03/1314562503.db2.gz SFXNHPGOCPRSCY-HHXXYDBFSA-N 1 3 334.504 2.702 20 0 EFADHO O[C@@]1(C[NH2+]CC2c3ccccc3CCc3ccccc32)CCCNC1 ZINC001245999638 1314563066 /nfs/dbraw/zinc/56/30/66/1314563066.db2.gz BKKQHLTYVKOIPL-QFIPXVFZSA-N 1 3 336.479 2.621 20 0 EFADHO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246005272 1314564578 /nfs/dbraw/zinc/56/45/78/1314564578.db2.gz INOWTJCBQSDLGB-MRXNPFEDSA-N 1 3 330.394 2.731 20 0 EFADHO CC(C)(Cc1ccccc1C(F)(F)F)NC[C@@]1(O)CCC[NH2+]C1 ZINC001246005272 1314564583 /nfs/dbraw/zinc/56/45/83/1314564583.db2.gz INOWTJCBQSDLGB-MRXNPFEDSA-N 1 3 330.394 2.731 20 0 EFADHO CC(C)(C[NH2+]C[C@]1(O)CCCNC1)Cc1cccc(C(F)(F)F)c1 ZINC001246007045 1314565293 /nfs/dbraw/zinc/56/52/93/1314565293.db2.gz NYELVNYIWFOWRZ-KRWDZBQOSA-N 1 3 344.421 2.978 20 0 EFADHO CC[N@@H+](Cc1ccccc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246014784 1314565710 /nfs/dbraw/zinc/56/57/10/1314565710.db2.gz QURXINFQGJXJNH-RBUKOAKNSA-N 1 3 334.410 2.718 20 0 EFADHO CC[N@H+](Cc1ccccc1)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246014784 1314565714 /nfs/dbraw/zinc/56/57/14/1314565714.db2.gz QURXINFQGJXJNH-RBUKOAKNSA-N 1 3 334.410 2.718 20 0 EFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246020732 1314566671 /nfs/dbraw/zinc/56/66/71/1314566671.db2.gz JSZHMGJIHSSBIY-SOLBZPMBSA-N 1 3 334.504 2.783 20 0 EFADHO C[C@H]1C[N@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)Cc2ccccc21 ZINC001246017915 1314567019 /nfs/dbraw/zinc/56/70/19/1314567019.db2.gz CRIXNNUDXKLCSX-QTJFZDIUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@H]1C[N@@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)Cc2ccccc21 ZINC001246017915 1314567024 /nfs/dbraw/zinc/56/70/24/1314567024.db2.gz CRIXNNUDXKLCSX-QTJFZDIUSA-N 1 3 346.421 2.815 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001246018402 1314567120 /nfs/dbraw/zinc/56/71/20/1314567120.db2.gz FIKVXEVOPASOMD-UYAOXDASSA-N 1 3 346.515 2.702 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246026013 1314569040 /nfs/dbraw/zinc/56/90/40/1314569040.db2.gz YSPNAJMDZDUAAA-RCCFBDPRSA-N 1 3 332.504 2.733 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001246026013 1314569044 /nfs/dbraw/zinc/56/90/44/1314569044.db2.gz YSPNAJMDZDUAAA-RCCFBDPRSA-N 1 3 332.504 2.733 20 0 EFADHO C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246034410 1314570577 /nfs/dbraw/zinc/57/05/77/1314570577.db2.gz NLGVWGUWKHIJNC-SOLBZPMBSA-N 1 3 334.504 2.783 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246033945 1314571330 /nfs/dbraw/zinc/57/13/30/1314571330.db2.gz LZZNLDNHBORNCJ-SJLPKXTDSA-N 1 3 334.504 2.785 20 0 EFADHO O[C@@]1(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246045029 1314571645 /nfs/dbraw/zinc/57/16/45/1314571645.db2.gz HKBMJWBCJSDEDQ-HOCLYGCPSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246045029 1314571648 /nfs/dbraw/zinc/57/16/48/1314571648.db2.gz HKBMJWBCJSDEDQ-HOCLYGCPSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]C1 ZINC001246045029 1314571653 /nfs/dbraw/zinc/57/16/53/1314571653.db2.gz HKBMJWBCJSDEDQ-HOCLYGCPSA-N 1 3 328.378 2.609 20 0 EFADHO C[C@@](O)(CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)c1ccccc1 ZINC001246037310 1314572302 /nfs/dbraw/zinc/57/23/02/1314572302.db2.gz RRZLMTYMOCFQDD-YPAWHYETSA-N 1 3 336.479 2.973 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C[C@@]3(O)CCCNC3)C2)cc1 ZINC001246065117 1314578080 /nfs/dbraw/zinc/57/80/80/1314578080.db2.gz ODGSIWGPFBGTIO-YLJYHZDGSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@@]3(O)CCCNC3)C2)cc1 ZINC001246065117 1314578083 /nfs/dbraw/zinc/57/80/83/1314578083.db2.gz ODGSIWGPFBGTIO-YLJYHZDGSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CCN(C[C@@]3(O)CCC[NH2+]C3)C2)cc1 ZINC001246065117 1314578088 /nfs/dbraw/zinc/57/80/88/1314578088.db2.gz ODGSIWGPFBGTIO-YLJYHZDGSA-N 1 3 332.488 2.768 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN(CCC)C[C@@H]1CC[NH2+]C1 ZINC001246065246 1314578294 /nfs/dbraw/zinc/57/82/94/1314578294.db2.gz IEKQDEXECCADAK-IPMKNSEASA-N 1 3 328.541 2.902 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN(CCC)C[C@@H]1CC[NH2+]C1 ZINC001246065247 1314578767 /nfs/dbraw/zinc/57/87/67/1314578767.db2.gz IEKQDEXECCADAK-OTWHNJEPSA-N 1 3 328.541 2.902 20 0 EFADHO CCCN(C[C@@H](O)COc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001246069387 1314579844 /nfs/dbraw/zinc/57/98/44/1314579844.db2.gz XLSYOVGGEKJBRH-IEBWSBKVSA-N 1 3 342.483 2.901 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@@H]([NH2+]C3CCNCC3)CC[C@H]2C1 ZINC001246078998 1314581216 /nfs/dbraw/zinc/58/12/16/1314581216.db2.gz OCEIPUQWHUZRET-BJLQDIEVSA-N 1 3 341.499 2.659 20 0 EFADHO F[C@@H]1CNCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090313 1314581770 /nfs/dbraw/zinc/58/17/70/1314581770.db2.gz FSWZZIQGWRTVHK-OUUBHVDSSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@@H]1CNCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090313 1314581773 /nfs/dbraw/zinc/58/17/73/1314581773.db2.gz FSWZZIQGWRTVHK-OUUBHVDSSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@@H]1CNCC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090315 1314581944 /nfs/dbraw/zinc/58/19/44/1314581944.db2.gz FSWZZIQGWRTVHK-USYVTKNRSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@@H]1CNCC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090315 1314581950 /nfs/dbraw/zinc/58/19/50/1314581950.db2.gz FSWZZIQGWRTVHK-USYVTKNRSA-N 1 3 331.479 2.862 20 0 EFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246100173 1314582849 /nfs/dbraw/zinc/58/28/49/1314582849.db2.gz VXPGIDMZTMPLOS-CZUORRHYSA-N 1 3 346.393 2.610 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246095614 1314582970 /nfs/dbraw/zinc/58/29/70/1314582970.db2.gz JDQAMBBMQBCFPR-BBRMVZONSA-N 1 3 330.394 2.731 20 0 EFADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)CC2)[NH2+]C1 ZINC001246101818 1314583636 /nfs/dbraw/zinc/58/36/36/1314583636.db2.gz BFJHMKGLCIQZNJ-QRQLOZEOSA-N 1 3 329.488 2.659 20 0 EFADHO Fc1cc2c(cc1F)C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246144298 1314589147 /nfs/dbraw/zinc/58/91/47/1314589147.db2.gz KDIRGGWEDFWIEP-IPELMVKDSA-N 1 3 336.426 2.570 20 0 EFADHO c1ccc(COc2ccc3c(c2)C[C@H](N[C@@H]2[C@H]4C[NH2+]C[C@H]42)CC3)cc1 ZINC001246145860 1314589155 /nfs/dbraw/zinc/58/91/55/1314589155.db2.gz FONPRQGQCTWZTQ-YJMBLLCNSA-N 1 3 334.463 2.930 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246148892 1314589735 /nfs/dbraw/zinc/58/97/35/1314589735.db2.gz ODOXIWHIHWCRPK-BCUIYNNISA-N 1 3 326.893 2.645 20 0 EFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246153686 1314590354 /nfs/dbraw/zinc/59/03/54/1314590354.db2.gz ZUVHDWLRQGEEKY-RHPZDQPFSA-N 1 3 344.833 2.763 20 0 EFADHO c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@H]3COc4ccccc4O3)CCN2)cc1 ZINC001246171501 1314592568 /nfs/dbraw/zinc/59/25/68/1314592568.db2.gz QSOMXUDKQLXPJW-QRVBRYPASA-N 1 3 338.451 2.779 20 0 EFADHO c1ccc(C[C@@H]2C[C@H]([NH2+]C[C@@H]3COc4ccccc4O3)CCN2)cc1 ZINC001246171494 1314592833 /nfs/dbraw/zinc/59/28/33/1314592833.db2.gz QSOMXUDKQLXPJW-GUDVDZBRSA-N 1 3 338.451 2.779 20 0 EFADHO CC(C)(C)[C@H]1C[C@@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171927 1314593148 /nfs/dbraw/zinc/59/31/48/1314593148.db2.gz ULQPGRRRQZNHPF-ZWKOTPCHSA-N 1 3 337.552 2.778 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1(C)C ZINC001246216482 1314598855 /nfs/dbraw/zinc/59/88/55/1314598855.db2.gz KXQAJMKEQQHFIJ-MHORFTMASA-N 1 3 330.472 2.527 20 0 EFADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C1(C)C ZINC001246216482 1314598859 /nfs/dbraw/zinc/59/88/59/1314598859.db2.gz KXQAJMKEQQHFIJ-MHORFTMASA-N 1 3 330.472 2.527 20 0 EFADHO c1ccc(C[C@@H]2C[C@H](NC[C@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246282200 1314605975 /nfs/dbraw/zinc/60/59/75/1314605975.db2.gz UEXCLGUBCXWFGU-YPAWHYETSA-N 1 3 335.495 2.654 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246286332 1314607087 /nfs/dbraw/zinc/60/70/87/1314607087.db2.gz KBLDZEDGGAVAGP-KRQVXIAISA-N 1 3 343.515 2.543 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246329278 1314610678 /nfs/dbraw/zinc/61/06/78/1314610678.db2.gz UMWVXXPWOMIKKP-YJBOKZPZSA-N 1 3 332.488 2.843 20 0 EFADHO FC1(F)CCCN(CC[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246344170 1314613125 /nfs/dbraw/zinc/61/31/25/1314613125.db2.gz XYMVHBVMMALZNT-ZWKOTPCHSA-N 1 3 337.458 2.670 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CCN[C@@H](C)C3)CC2)c1 ZINC001246359260 1314615141 /nfs/dbraw/zinc/61/51/41/1314615141.db2.gz MWLRYTBIIUVYTQ-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356952 1314615456 /nfs/dbraw/zinc/61/54/56/1314615456.db2.gz XMQAFSDMJSGMSA-DOMZBBRYSA-N 1 3 341.421 2.798 20 0 EFADHO COC(=O)CC1(N[C@@H](Cc2ccccc2)CC(C)C)CC[NH2+]CC1 ZINC001246362863 1314615908 /nfs/dbraw/zinc/61/59/08/1314615908.db2.gz IPOMTTDQNVTCEX-GOSISDBHSA-N 1 3 332.488 2.919 20 0 EFADHO COC(=O)CC1([NH2+][C@@H](Cc2ccccc2)CC(C)C)CCNCC1 ZINC001246362863 1314615911 /nfs/dbraw/zinc/61/59/11/1314615911.db2.gz IPOMTTDQNVTCEX-GOSISDBHSA-N 1 3 332.488 2.919 20 0 EFADHO COc1cccc(CC2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246365075 1314616160 /nfs/dbraw/zinc/61/61/60/1314616160.db2.gz CYLIEJLJEXQKBO-FUHWJXTLSA-N 1 3 332.488 2.765 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037799 1314617352 /nfs/dbraw/zinc/61/73/52/1314617352.db2.gz ATGFOPRJAHEJGC-ROUUACIJSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037799 1314617358 /nfs/dbraw/zinc/61/73/58/1314617358.db2.gz ATGFOPRJAHEJGC-ROUUACIJSA-N 1 3 344.503 2.869 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246401600 1314624560 /nfs/dbraw/zinc/62/45/60/1314624560.db2.gz HLHFCPSITDNOPF-XDKFSHSGSA-N 1 3 333.451 2.597 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H](N[C@@H](C)CC[NH2+]C)C1 ZINC001246408466 1314625443 /nfs/dbraw/zinc/62/54/43/1314625443.db2.gz UNJXOKQJFQDPAT-JKSUJKDBSA-N 1 3 329.492 2.613 20 0 EFADHO CC[C@@H]1C[C@@H](N[C@@H](CN2CCOCC2)C(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246486489 1314635850 /nfs/dbraw/zinc/63/58/50/1314635850.db2.gz BXPCIMAGHDUJDR-MHORFTMASA-N 1 3 325.541 2.632 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)NC1 ZINC001246492892 1314636957 /nfs/dbraw/zinc/63/69/57/1314636957.db2.gz DUXKALUUUASJOX-KRWDZBQOSA-N 1 3 327.447 2.725 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)NC1 ZINC001246492893 1314637237 /nfs/dbraw/zinc/63/72/37/1314637237.db2.gz DUXKALUUUASJOX-QGZVFWFLSA-N 1 3 327.447 2.725 20 0 EFADHO CCCC[C@@H]1C[C@@H](N[C@H](CN2CCOCC2)C(C)(C)C)CC[NH2+]1 ZINC001246495306 1314637559 /nfs/dbraw/zinc/63/75/59/1314637559.db2.gz XDAOYPODLPNOOH-FGTMMUONSA-N 1 3 325.541 2.634 20 0 EFADHO COc1ccccc1C[C@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246494929 1314637619 /nfs/dbraw/zinc/63/76/19/1314637619.db2.gz MVXPPVYEKLHPBF-HNNXBMFYSA-N 1 3 327.472 2.668 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)N1CCCCC1 ZINC001020156339 1314640014 /nfs/dbraw/zinc/64/00/14/1314640014.db2.gz HPKZPARFBFNZBK-WKILWMFISA-N 1 3 349.544 2.792 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001020156527 1314640070 /nfs/dbraw/zinc/64/00/70/1314640070.db2.gz PJVZLYDGCAIOPD-QAQDUYKDSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@]1([NH3+])CCN([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246531739 1314643004 /nfs/dbraw/zinc/64/30/04/1314643004.db2.gz SRAUXUJZARBUKW-IWFBPKFRSA-N 1 3 341.499 2.741 20 0 EFADHO Cc1ccc(Cl)cc1N1CCN([C@@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246534274 1314643241 /nfs/dbraw/zinc/64/32/41/1314643241.db2.gz RJDRUSUMNLQXLE-HNNXBMFYSA-N 1 3 337.920 2.618 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccccc3F)C2)CC[N@@H+]1C ZINC001020174923 1314650492 /nfs/dbraw/zinc/65/04/92/1314650492.db2.gz YGVBGXOOTUXQEH-NDVSXACPSA-N 1 3 347.478 2.854 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@@H](C)c3ccccc3F)C2)CC[N@H+]1C ZINC001020174923 1314650496 /nfs/dbraw/zinc/65/04/96/1314650496.db2.gz YGVBGXOOTUXQEH-NDVSXACPSA-N 1 3 347.478 2.854 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](C)N([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246592773 1314653208 /nfs/dbraw/zinc/65/32/08/1314653208.db2.gz QPBNWGLEUQGDPP-YSHGAJCASA-N 1 3 330.472 2.623 20 0 EFADHO CCOC(=O)[C@@]12CN([C@H](C)Cc3ccc(F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246596172 1314654334 /nfs/dbraw/zinc/65/43/34/1314654334.db2.gz PHJHTPZIFHFTPV-SYNHAJSKSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001246596172 1314654338 /nfs/dbraw/zinc/65/43/38/1314654338.db2.gz PHJHTPZIFHFTPV-SYNHAJSKSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001246596172 1314654342 /nfs/dbraw/zinc/65/43/42/1314654342.db2.gz PHJHTPZIFHFTPV-SYNHAJSKSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246609821 1314655844 /nfs/dbraw/zinc/65/58/44/1314655844.db2.gz NXLVQFAJAXJUMD-OXQOHEQNSA-N 1 3 330.472 2.870 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605163 1314656001 /nfs/dbraw/zinc/65/60/01/1314656001.db2.gz AIWCYPLBHYTBJG-TZIWHRDSSA-N 1 3 341.499 2.899 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605163 1314656006 /nfs/dbraw/zinc/65/60/06/1314656006.db2.gz AIWCYPLBHYTBJG-TZIWHRDSSA-N 1 3 341.499 2.899 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H]([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605096 1314656211 /nfs/dbraw/zinc/65/62/11/1314656211.db2.gz AIWCYPLBHYTBJG-CTNGQTDRSA-N 1 3 341.499 2.899 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H]([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605096 1314656213 /nfs/dbraw/zinc/65/62/13/1314656213.db2.gz AIWCYPLBHYTBJG-CTNGQTDRSA-N 1 3 341.499 2.899 20 0 EFADHO CCCCCC[C@H](CCCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625894 1314659235 /nfs/dbraw/zinc/65/92/35/1314659235.db2.gz IKONXRAOGQWXOE-PXNSSMCTSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC[C@H](CCCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625894 1314659241 /nfs/dbraw/zinc/65/92/41/1314659241.db2.gz IKONXRAOGQWXOE-PXNSSMCTSA-N 1 3 335.536 2.927 20 0 EFADHO COc1cccc2c1CC[C@H](N1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)C2 ZINC001246652876 1314664000 /nfs/dbraw/zinc/66/40/00/1314664000.db2.gz ACYDEIYQQRSJPM-ZQIUZPCESA-N 1 3 340.389 2.636 20 0 EFADHO CC(C)C[C@H](Cc1ccccc1)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653078 1314664357 /nfs/dbraw/zinc/66/43/57/1314664357.db2.gz QSIJCZYPNGRPBT-TZIWHRDSSA-N 1 3 343.515 2.588 20 0 EFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2cccc4cc[nH]c42)CC3)cn1 ZINC001278460684 1314666741 /nfs/dbraw/zinc/66/67/41/1314666741.db2.gz DDEUUVSHBAKUBW-UHFFFAOYSA-N 1 3 349.482 2.962 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720282 1314675882 /nfs/dbraw/zinc/67/58/82/1314675882.db2.gz NFAZVGITGJSHEM-DOTOQJQBSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720282 1314675887 /nfs/dbraw/zinc/67/58/87/1314675887.db2.gz NFAZVGITGJSHEM-DOTOQJQBSA-N 1 3 347.528 2.817 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246725352 1314677038 /nfs/dbraw/zinc/67/70/38/1314677038.db2.gz YGHRUMJWMQKOFA-DLBZAZTESA-N 1 3 349.544 2.555 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730628 1314677167 /nfs/dbraw/zinc/67/71/67/1314677167.db2.gz UNBQEZNQHWJDMK-YFVAEKQCSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730628 1314677171 /nfs/dbraw/zinc/67/71/71/1314677171.db2.gz UNBQEZNQHWJDMK-YFVAEKQCSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755719 1314678211 /nfs/dbraw/zinc/67/82/11/1314678211.db2.gz QPSKARSUEFAJEK-DDBAPUKQSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755719 1314678214 /nfs/dbraw/zinc/67/82/14/1314678214.db2.gz QPSKARSUEFAJEK-DDBAPUKQSA-N 1 3 336.483 2.799 20 0 EFADHO C[NH2+]CC[C@@H](C)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001246760325 1314678297 /nfs/dbraw/zinc/67/82/97/1314678297.db2.gz PXGHTFZFRYVEMY-HPPSQRKUSA-N 1 3 333.451 2.720 20 0 EFADHO CC[C@H]1C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246772780 1314679238 /nfs/dbraw/zinc/67/92/38/1314679238.db2.gz QEYNTJWVZBBIPT-WMZOPIPTSA-N 1 3 345.535 2.652 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246772619 1314679383 /nfs/dbraw/zinc/67/93/83/1314679383.db2.gz BRAFWWMTDFAVTR-FIKGOQFSSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+]([C@H]3CCN[C@@H](C)C3)C2)C1=O ZINC001246772619 1314679386 /nfs/dbraw/zinc/67/93/86/1314679386.db2.gz BRAFWWMTDFAVTR-FIKGOQFSSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCN[C@@H](C)C3)C2)C1=O ZINC001246772619 1314679390 /nfs/dbraw/zinc/67/93/90/1314679390.db2.gz BRAFWWMTDFAVTR-FIKGOQFSSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246768957 1314679437 /nfs/dbraw/zinc/67/94/37/1314679437.db2.gz VUBBXMGJDKZQKY-TYILLQQXSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768957 1314679441 /nfs/dbraw/zinc/67/94/41/1314679441.db2.gz VUBBXMGJDKZQKY-TYILLQQXSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768957 1314679445 /nfs/dbraw/zinc/67/94/45/1314679445.db2.gz VUBBXMGJDKZQKY-TYILLQQXSA-N 1 3 349.425 2.534 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CC[NH2+]C(C)(C)C4)C3)CC2=O)cc1 ZINC001246775332 1314680120 /nfs/dbraw/zinc/68/01/20/1314680120.db2.gz GNBTZAKWQKRAEH-WIYYLYMNSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775332 1314680124 /nfs/dbraw/zinc/68/01/24/1314680124.db2.gz GNBTZAKWQKRAEH-WIYYLYMNSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775332 1314680129 /nfs/dbraw/zinc/68/01/29/1314680129.db2.gz GNBTZAKWQKRAEH-WIYYLYMNSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4CC[NH2+]C(C)(C)C4)C3)CC2=O)cc1 ZINC001246775327 1314680442 /nfs/dbraw/zinc/68/04/42/1314680442.db2.gz GNBTZAKWQKRAEH-NQIIRXRSSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775327 1314680445 /nfs/dbraw/zinc/68/04/45/1314680445.db2.gz GNBTZAKWQKRAEH-NQIIRXRSSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775327 1314680450 /nfs/dbraw/zinc/68/04/50/1314680450.db2.gz GNBTZAKWQKRAEH-NQIIRXRSSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)CC2=O)cc1 ZINC001246776049 1314680533 /nfs/dbraw/zinc/68/05/33/1314680533.db2.gz GTHWOLKAPHQVLX-SAQKXASNSA-N 1 3 339.483 2.707 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@H]4CC[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246781273 1314680732 /nfs/dbraw/zinc/68/07/32/1314680732.db2.gz RLVURTZIJQBDJZ-KPFFTGBYSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781273 1314680737 /nfs/dbraw/zinc/68/07/37/1314680737.db2.gz RLVURTZIJQBDJZ-KPFFTGBYSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781273 1314680741 /nfs/dbraw/zinc/68/07/41/1314680741.db2.gz RLVURTZIJQBDJZ-KPFFTGBYSA-N 1 3 327.472 2.564 20 0 EFADHO COC(=O)[C@H]1C[C@H](N)C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806615 1314686124 /nfs/dbraw/zinc/68/61/24/1314686124.db2.gz XWTXOMYJTQMARX-IRDVNMAFSA-N 1 3 342.483 2.635 20 0 EFADHO COC(=O)[C@H]1C[C@H](N)C[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806615 1314686127 /nfs/dbraw/zinc/68/61/27/1314686127.db2.gz XWTXOMYJTQMARX-IRDVNMAFSA-N 1 3 342.483 2.635 20 0 EFADHO COC(=O)[C@H]1CC[C@@H](C)N([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246813831 1314687601 /nfs/dbraw/zinc/68/76/01/1314687601.db2.gz QPBNWGLEUQGDPP-BVBHFADKSA-N 1 3 330.472 2.623 20 0 EFADHO COC(=O)[C@H]1CC[C@@H](C)N([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246813833 1314688154 /nfs/dbraw/zinc/68/81/54/1314688154.db2.gz QPBNWGLEUQGDPP-LULLPPNCSA-N 1 3 330.472 2.623 20 0 EFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246835720 1314692387 /nfs/dbraw/zinc/69/23/87/1314692387.db2.gz UFZRKPQOHCFFSQ-LCWAXJCOSA-N 1 3 331.479 2.862 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087729 1314693954 /nfs/dbraw/zinc/69/39/54/1314693954.db2.gz NNFZAMSVOALJAL-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087729 1314693958 /nfs/dbraw/zinc/69/39/58/1314693958.db2.gz NNFZAMSVOALJAL-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO Brc1ccc2c(c1)C[C@H](N1C[C@H]3C[NH2+]CC[C@@H]3C1)CC2 ZINC001246843433 1314694731 /nfs/dbraw/zinc/69/47/31/1314694731.db2.gz GGHLKFGXPAMBIU-FRFSOERESA-N 1 3 335.289 2.848 20 0 EFADHO Brc1ccc2c(c1)C[C@H](N1C[C@H]3CC[NH2+]C[C@H]3C1)CC2 ZINC001246843442 1314694830 /nfs/dbraw/zinc/69/48/30/1314694830.db2.gz GGHLKFGXPAMBIU-UKPHBRMFSA-N 1 3 335.289 2.848 20 0 EFADHO N[C@]12CC[C@@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851755 1314697071 /nfs/dbraw/zinc/69/70/71/1314697071.db2.gz HGCANVDMPKGWSP-MJCUULBUSA-N 1 3 325.500 2.995 20 0 EFADHO N[C@]12CC[C@@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851755 1314697076 /nfs/dbraw/zinc/69/70/76/1314697076.db2.gz HGCANVDMPKGWSP-MJCUULBUSA-N 1 3 325.500 2.995 20 0 EFADHO c1csc([C@@H]2C[NH2+]CCN2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001246886338 1314703208 /nfs/dbraw/zinc/70/32/08/1314703208.db2.gz QMAUFCLCJOJDNA-MSOLQXFVSA-N 1 3 327.497 2.969 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916379 1314707378 /nfs/dbraw/zinc/70/73/78/1314707378.db2.gz RPWPCEZMEOMXOV-SJORKVTESA-N 1 3 341.421 2.924 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916379 1314707383 /nfs/dbraw/zinc/70/73/83/1314707383.db2.gz RPWPCEZMEOMXOV-SJORKVTESA-N 1 3 341.421 2.924 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001053097999 1314710625 /nfs/dbraw/zinc/71/06/25/1314710625.db2.gz JALSPBCREVSPCM-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001053097999 1314710630 /nfs/dbraw/zinc/71/06/30/1314710630.db2.gz JALSPBCREVSPCM-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939049 1314711700 /nfs/dbraw/zinc/71/17/00/1314711700.db2.gz SBGMATBQHJCFEB-BPUTZDHNSA-N 1 3 333.442 2.914 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939049 1314711704 /nfs/dbraw/zinc/71/17/04/1314711704.db2.gz SBGMATBQHJCFEB-BPUTZDHNSA-N 1 3 333.442 2.914 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098101 1314711840 /nfs/dbraw/zinc/71/18/40/1314711840.db2.gz KHXYPLMOMHQDAL-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098101 1314711843 /nfs/dbraw/zinc/71/18/43/1314711843.db2.gz KHXYPLMOMHQDAL-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099344 1314714415 /nfs/dbraw/zinc/71/44/15/1314714415.db2.gz VMZACDYDDPLANF-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099344 1314714417 /nfs/dbraw/zinc/71/44/17/1314714417.db2.gz VMZACDYDDPLANF-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099583 1314715204 /nfs/dbraw/zinc/71/52/04/1314715204.db2.gz XTGMAYBXJCCGKU-FUHWJXTLSA-N 1 3 332.492 2.845 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099583 1314715207 /nfs/dbraw/zinc/71/52/07/1314715207.db2.gz XTGMAYBXJCCGKU-FUHWJXTLSA-N 1 3 332.492 2.845 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCCCCF ZINC001214635134 1314718801 /nfs/dbraw/zinc/71/88/01/1314718801.db2.gz ZYJNWECQQOWQTO-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO COC(=O)c1ccc(C[C@@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246976791 1314722044 /nfs/dbraw/zinc/72/20/44/1314722044.db2.gz WGJIRVIZPNYVLL-NVXWUHKLSA-N 1 3 330.472 2.868 20 0 EFADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCNC[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246985224 1314723921 /nfs/dbraw/zinc/72/39/21/1314723921.db2.gz AYLFSWBIZACTSN-KBMXLJTQSA-N 1 3 345.384 2.763 20 0 EFADHO Brc1cnn(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001247002223 1314727967 /nfs/dbraw/zinc/72/79/67/1314727967.db2.gz LRFICVLPZGXJPU-NNQSOWQGSA-N 1 3 339.281 2.566 20 0 EFADHO CN1CCN(c2ccc3[nH]c(-c4ccc5c(c4)C[NH2+]C5)nc3c2)CC1 ZINC001247010645 1314730457 /nfs/dbraw/zinc/73/04/57/1314730457.db2.gz MNVFXRLDDCULNJ-UHFFFAOYSA-N 1 3 333.439 2.585 20 0 EFADHO COc1ccc([C@@H]2C[C@H](N3CC[C@@H]4[NH2+]CCC[C@H]4C3)CCO2)cc1 ZINC001247012159 1314730487 /nfs/dbraw/zinc/73/04/87/1314730487.db2.gz CGHMPUJZTFDOMK-HNJRGHQBSA-N 1 3 330.472 2.989 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1cc3cc(Cl)ccc3[nH]1)C2 ZINC001276714382 1314735545 /nfs/dbraw/zinc/73/55/45/1314735545.db2.gz UQQQGHIRLTZBRT-KDOFPFPSSA-N 1 3 346.906 2.889 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020340643 1314739171 /nfs/dbraw/zinc/73/91/71/1314739171.db2.gz UTTPDZAJBWKUHL-LNLFQRSKSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020340643 1314739174 /nfs/dbraw/zinc/73/91/74/1314739174.db2.gz UTTPDZAJBWKUHL-LNLFQRSKSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001214863186 1314750430 /nfs/dbraw/zinc/75/04/30/1314750430.db2.gz IMKMWJXPPIKWNB-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001214952611 1314762410 /nfs/dbraw/zinc/76/24/10/1314762410.db2.gz DGZZCZQFEWXDMA-MISYRCLQSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001214996922 1314767237 /nfs/dbraw/zinc/76/72/37/1314767237.db2.gz FTCCOOYYKOQQCJ-HZPDHXFCSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643524 1314773948 /nfs/dbraw/zinc/77/39/48/1314773948.db2.gz OJSQGGFYQRPWQI-VVLHAWIVSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643524 1314773953 /nfs/dbraw/zinc/77/39/53/1314773953.db2.gz OJSQGGFYQRPWQI-VVLHAWIVSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000401525029 1314810579 /nfs/dbraw/zinc/81/05/79/1314810579.db2.gz SUHOXUIEFGBUGM-JYJNAYRXSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000401525029 1314810582 /nfs/dbraw/zinc/81/05/82/1314810582.db2.gz SUHOXUIEFGBUGM-JYJNAYRXSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1sccc1Cl ZINC001215421571 1314833285 /nfs/dbraw/zinc/83/32/85/1314833285.db2.gz GUAJXTJFSRCOGH-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001215536574 1314846433 /nfs/dbraw/zinc/84/64/33/1314846433.db2.gz SXKUDUPYOKWVGJ-JFIYKMOQSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001215536431 1314846636 /nfs/dbraw/zinc/84/66/36/1314846636.db2.gz RIUFRPHZXIHXDN-ABRCVITISA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001215563416 1314851974 /nfs/dbraw/zinc/85/19/74/1314851974.db2.gz FKFVCRGEVQWKAU-SJLPKXTDSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001215569312 1314852253 /nfs/dbraw/zinc/85/22/53/1314852253.db2.gz ZEHTZCVCXKRMDM-NVXWUHKLSA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001247913091 1314865901 /nfs/dbraw/zinc/86/59/01/1314865901.db2.gz AQKFGMGGSCMDJA-IKGGRYGDSA-N 1 3 326.444 2.901 20 0 EFADHO CN(C)Cc1ccc(-c2noc(C[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001247937850 1314870499 /nfs/dbraw/zinc/87/04/99/1314870499.db2.gz CWZAGEHFWCKMMZ-RCCFBDPRSA-N 1 3 340.471 2.976 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001215989672 1314897369 /nfs/dbraw/zinc/89/73/69/1314897369.db2.gz HIAGAKFOVMSPEO-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001215989411 1314897684 /nfs/dbraw/zinc/89/76/84/1314897684.db2.gz AKGNQZQONKXVAJ-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001215989951 1314898521 /nfs/dbraw/zinc/89/85/21/1314898521.db2.gz PEAFHNQJMUIPDO-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001215994218 1314898554 /nfs/dbraw/zinc/89/85/54/1314898554.db2.gz VUAFCBBEMRAHMT-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001216002522 1314899603 /nfs/dbraw/zinc/89/96/03/1314899603.db2.gz TUPIYNKESYVNSY-BZUAXINKSA-N 1 3 345.478 2.590 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001216002326 1314899769 /nfs/dbraw/zinc/89/97/69/1314899769.db2.gz REIZXQQBYYHFMX-QSTIEPAZSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001216001791 1314899790 /nfs/dbraw/zinc/89/97/90/1314899790.db2.gz JVCGFFDZPFHVCK-GPMSIDNRSA-N 1 3 347.503 2.535 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)cc1 ZINC001216002624 1314900075 /nfs/dbraw/zinc/90/00/75/1314900075.db2.gz XTNXRYUXHBMERB-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038393568 1314903436 /nfs/dbraw/zinc/90/34/36/1314903436.db2.gz IKMHRURYRZPFCK-GOSISDBHSA-N 1 3 333.520 2.633 20 0 EFADHO C[NH+](C)Cc1cccc(-c2nc(-c3ccc4c(n3)CCNC4)no2)c1 ZINC001216047530 1314905196 /nfs/dbraw/zinc/90/51/96/1314905196.db2.gz CILHVIXWNKQTFW-UHFFFAOYSA-N 1 3 335.411 2.506 20 0 EFADHO CC(C)c1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406224 1314910893 /nfs/dbraw/zinc/91/08/93/1314910893.db2.gz BPAWESVDGLEWQJ-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406224 1314910897 /nfs/dbraw/zinc/91/08/97/1314910897.db2.gz BPAWESVDGLEWQJ-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(CN2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c(C)c1 ZINC001038461289 1314946604 /nfs/dbraw/zinc/94/66/04/1314946604.db2.gz DQCBXTIPOYXNSX-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3cncc3c2)c(C)c1 ZINC001038461289 1314946607 /nfs/dbraw/zinc/94/66/07/1314946607.db2.gz DQCBXTIPOYXNSX-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn3cncc3c2)c(C)c1 ZINC001038461289 1314946609 /nfs/dbraw/zinc/94/66/09/1314946609.db2.gz DQCBXTIPOYXNSX-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038462560 1314947371 /nfs/dbraw/zinc/94/73/71/1314947371.db2.gz NAGXDGZYAINCCR-IBGZPJMESA-N 1 3 348.450 2.901 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038462560 1314947375 /nfs/dbraw/zinc/94/73/75/1314947375.db2.gz NAGXDGZYAINCCR-IBGZPJMESA-N 1 3 348.450 2.901 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001216499525 1314962832 /nfs/dbraw/zinc/96/28/32/1314962832.db2.gz MNVFHRDNJKNWNQ-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001216511615 1314964632 /nfs/dbraw/zinc/96/46/32/1314964632.db2.gz XCAJUTFQXROIOP-OWCLPIDISA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001216515975 1314964856 /nfs/dbraw/zinc/96/48/56/1314964856.db2.gz WIOLXMKDOYYCQJ-ZHALLVOQSA-N 1 3 331.504 2.834 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)cc1 ZINC001216511200 1314965087 /nfs/dbraw/zinc/96/50/87/1314965087.db2.gz MQAIHYYGYWPFTO-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3cccc(Cl)c3)C2)C1 ZINC001276746935 1315001721 /nfs/dbraw/zinc/00/17/21/1315001721.db2.gz SDDUSWWRPUWTEZ-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CN(C)CC[N@H+]1CCC2(CN(CCCc3cccc(Cl)c3)C2)C1 ZINC001276746935 1315001725 /nfs/dbraw/zinc/00/17/25/1315001725.db2.gz SDDUSWWRPUWTEZ-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216852003 1315015490 /nfs/dbraw/zinc/01/54/90/1315015490.db2.gz MVBNCHOHTZAAHH-ZIFCJYIRSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852338 1315015659 /nfs/dbraw/zinc/01/56/59/1315015659.db2.gz UXOJJZCWBUMNHN-ZIFCJYIRSA-N 1 3 331.504 2.833 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001216852375 1315015706 /nfs/dbraw/zinc/01/57/06/1315015706.db2.gz WXRRHPDRKMFVQW-VQIMIIECSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1cccc(CCC[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216851897 1315015759 /nfs/dbraw/zinc/01/57/59/1315015759.db2.gz KQIKRUMLMRULCA-UYAOXDASSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001216852379 1315015876 /nfs/dbraw/zinc/01/58/76/1315015876.db2.gz XBJBHTIXPOIPHT-LSTHTHJFSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001216854004 1315016023 /nfs/dbraw/zinc/01/60/23/1315016023.db2.gz PYRQZXDOUPDMDM-IIDMSEBBSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001216851881 1315016050 /nfs/dbraw/zinc/01/60/50/1315016050.db2.gz JYMRTZXAHMJIOV-OXQOHEQNSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001216854212 1315016072 /nfs/dbraw/zinc/01/60/72/1315016072.db2.gz UPXKKDZHAGEPTC-RVKKMQEKSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1nc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001276755777 1315074659 /nfs/dbraw/zinc/07/46/59/1315074659.db2.gz XPWKWEQHGMGPLY-CALCHBBNSA-N 1 3 328.460 2.964 20 0 EFADHO Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)o1 ZINC001276755777 1315074663 /nfs/dbraw/zinc/07/46/63/1315074663.db2.gz XPWKWEQHGMGPLY-CALCHBBNSA-N 1 3 328.460 2.964 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038670980 1315082638 /nfs/dbraw/zinc/08/26/38/1315082638.db2.gz OIPRTOLTWGDNLV-MOPGFXCFSA-N 1 3 329.488 2.670 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)cc4cc[nH]c43)CC2)CC1 ZINC001249526127 1315089465 /nfs/dbraw/zinc/08/94/65/1315089465.db2.gz QSXOTDUENLFDSD-UHFFFAOYSA-N 1 3 344.478 2.766 20 0 EFADHO c1cc(NC2=CC[C@@H](N3CCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC001249557317 1315096519 /nfs/dbraw/zinc/09/65/19/1315096519.db2.gz KOLWDBDILQMELH-GOSISDBHSA-N 1 3 328.460 2.862 20 0 EFADHO FC(F)(F)c1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217756991 1315110627 /nfs/dbraw/zinc/11/06/27/1315110627.db2.gz CNADTTXBWUBDIW-UHFFFAOYSA-N 1 3 340.349 2.845 20 0 EFADHO CCN1CCc2ccc(CN(CCOC)C3CC[NH+](C)CC3)cc21 ZINC001249668413 1315118767 /nfs/dbraw/zinc/11/87/67/1315118767.db2.gz WVNAYWFCXUSMPO-UHFFFAOYSA-N 1 3 331.504 2.612 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC001276767524 1315137090 /nfs/dbraw/zinc/13/70/90/1315137090.db2.gz FAIAUADDSIHMTD-NRFANRHFSA-N 1 3 343.515 2.566 20 0 EFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC001276767524 1315137092 /nfs/dbraw/zinc/13/70/92/1315137092.db2.gz FAIAUADDSIHMTD-NRFANRHFSA-N 1 3 343.515 2.566 20 0 EFADHO F[C@@H]1CNCC[C@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218067131 1315142645 /nfs/dbraw/zinc/14/26/45/1315142645.db2.gz RBCGAVDASCMQNQ-SJLPKXTDSA-N 1 3 344.434 2.553 20 0 EFADHO CN1CCC[C@H](Oc2nc(-c3ccccc3)cn2C2CC[NH2+]CC2)C1 ZINC001218194788 1315161753 /nfs/dbraw/zinc/16/17/53/1315161753.db2.gz WYBJZBUFIHLXCE-SFHVURJKSA-N 1 3 340.471 2.948 20 0 EFADHO Cc1csc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001276782081 1315181361 /nfs/dbraw/zinc/18/13/61/1315181361.db2.gz CGUUDMFWVOVBES-UHFFFAOYSA-N 1 3 330.501 2.851 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccc(Cl)nc1)C2 ZINC001276783011 1315185355 /nfs/dbraw/zinc/18/53/55/1315185355.db2.gz LCWLMVKTYLOPSD-SFHVURJKSA-N 1 3 336.911 2.585 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cnccc1Cl)C2 ZINC001276785054 1315193979 /nfs/dbraw/zinc/19/39/79/1315193979.db2.gz UBHPDLYCZBLCPK-SFHVURJKSA-N 1 3 336.911 2.585 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cnccc1Cl)C2 ZINC001276785053 1315194107 /nfs/dbraw/zinc/19/41/07/1315194107.db2.gz UBHPDLYCZBLCPK-GOSISDBHSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc2occc21 ZINC001276790315 1315218842 /nfs/dbraw/zinc/21/88/42/1315218842.db2.gz PSJVUJINHSUHAV-ALOPSCKCSA-N 1 3 341.455 2.606 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218712278 1315233837 /nfs/dbraw/zinc/23/38/37/1315233837.db2.gz GPWAOAUSRUJXHE-GJZGRUSLSA-N 1 3 326.400 2.776 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1csc(-c2ccncc2)n1 ZINC001218765657 1315239937 /nfs/dbraw/zinc/23/99/37/1315239937.db2.gz ZGQXHGZBZGMSME-AWEZNQCLSA-N 1 3 347.488 2.639 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(F)c(N3CCOCC3)c1)CC2 ZINC001276794999 1315240141 /nfs/dbraw/zinc/24/01/41/1315240141.db2.gz AGXFALKSXLKDBM-UHFFFAOYSA-N 1 3 347.478 2.580 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(F)c(N3CCOCC3)c1)CC2 ZINC001276794999 1315240143 /nfs/dbraw/zinc/24/01/43/1315240143.db2.gz AGXFALKSXLKDBM-UHFFFAOYSA-N 1 3 347.478 2.580 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054060654 1315243414 /nfs/dbraw/zinc/24/34/14/1315243414.db2.gz QEYRWUBTYXPSHX-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054060654 1315243419 /nfs/dbraw/zinc/24/34/19/1315243419.db2.gz QEYRWUBTYXPSHX-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)C2 ZINC001250688430 1315243524 /nfs/dbraw/zinc/24/35/24/1315243524.db2.gz WCPKQBXOMFMZIT-NXOAAHMSSA-N 1 3 338.879 2.685 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)C2 ZINC001250688430 1315243530 /nfs/dbraw/zinc/24/35/30/1315243530.db2.gz WCPKQBXOMFMZIT-NXOAAHMSSA-N 1 3 338.879 2.685 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2ccc(F)cc12 ZINC001276796311 1315246139 /nfs/dbraw/zinc/24/61/39/1315246139.db2.gz OKXZQLXCOMDFMS-OALUTQOASA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2ccc(F)cc12 ZINC001276796311 1315246142 /nfs/dbraw/zinc/24/61/42/1315246142.db2.gz OKXZQLXCOMDFMS-OALUTQOASA-N 1 3 330.451 2.517 20 0 EFADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001218845635 1315249167 /nfs/dbraw/zinc/24/91/67/1315249167.db2.gz FXZPFWHYCYNRJS-LPHOPBHVSA-N 1 3 346.519 2.526 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCCC2CCC2)CC1 ZINC001038869363 1315249639 /nfs/dbraw/zinc/24/96/39/1315249639.db2.gz FTGNLXINNXVTIV-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC001218844091 1315249683 /nfs/dbraw/zinc/24/96/83/1315249683.db2.gz MRTBDSOUBXULME-KRWDZBQOSA-N 1 3 349.475 2.686 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218994885 1315270187 /nfs/dbraw/zinc/27/01/87/1315270187.db2.gz APKVLGVMWZBDJK-JXFKEZNVSA-N 1 3 341.430 2.801 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038897691 1315276696 /nfs/dbraw/zinc/27/66/96/1315276696.db2.gz XCYAAQWSXCIPAL-FQEVSTJZSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)[C@@H](N)CCC[NH3+])cc1O ZINC001219074407 1315280212 /nfs/dbraw/zinc/28/02/12/1315280212.db2.gz JFHPUDKHQJEVEN-AWEZNQCLSA-N 1 3 335.492 2.992 20 0 EFADHO CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)[C@H](N)CCC[NH3+])cc1O ZINC001219074408 1315280639 /nfs/dbraw/zinc/28/06/39/1315280639.db2.gz JFHPUDKHQJEVEN-CQSZACIVSA-N 1 3 335.492 2.992 20 0 EFADHO O=C(Nc1ccc(C2CC2)c2ccccc12)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219094224 1315281446 /nfs/dbraw/zinc/28/14/46/1315281446.db2.gz ATQLUQGTVQTONS-QVKFZJNVSA-N 1 3 335.451 2.855 20 0 EFADHO Cc1cc(Br)cc(C(C)C)c1NC(=O)[C@H](N)CCC[NH3+] ZINC001219133881 1315284693 /nfs/dbraw/zinc/28/46/93/1315284693.db2.gz IAJRYIPUQCARNZ-CYBMUJFWSA-N 1 3 342.281 2.886 20 0 EFADHO CC(C)(C)Sc1ccccc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219224051 1315292218 /nfs/dbraw/zinc/29/22/18/1315292218.db2.gz RVSUFVVYDSKXQE-FZKQIMNGSA-N 1 3 333.501 2.715 20 0 EFADHO Cc1ccc(C)c([C@@H](C)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038919331 1315296550 /nfs/dbraw/zinc/29/65/50/1315296550.db2.gz IRAJSFBKJYHUAX-QZTJIDSGSA-N 1 3 341.499 2.651 20 0 EFADHO O[C@H](CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)C(F)(F)F ZINC001250978068 1315305778 /nfs/dbraw/zinc/30/57/78/1315305778.db2.gz PFZJLYUEYUUFER-IXDOHACOSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)C(F)(F)F ZINC001250978068 1315305786 /nfs/dbraw/zinc/30/57/86/1315305786.db2.gz PFZJLYUEYUUFER-IXDOHACOSA-N 1 3 342.405 2.754 20 0 EFADHO COC(=O)c1cc(C)c(C)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219402410 1315309743 /nfs/dbraw/zinc/30/97/43/1315309743.db2.gz KRPAKRLATSRWJN-INIZCTEOSA-N 1 3 349.475 2.524 20 0 EFADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001219495656 1315318028 /nfs/dbraw/zinc/31/80/28/1315318028.db2.gz XIUWEKFWLXTZQW-QGZVFWFLSA-N 1 3 339.439 2.539 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219547893 1315321240 /nfs/dbraw/zinc/32/12/40/1315321240.db2.gz CPQIQJOCZHQFJQ-INIZCTEOSA-N 1 3 345.393 2.931 20 0 EFADHO Cc1cc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)ccn1 ZINC001276805994 1315323203 /nfs/dbraw/zinc/32/32/03/1315323203.db2.gz FTWMDKBJXNGFEE-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)ccn1 ZINC001276805994 1315323205 /nfs/dbraw/zinc/32/32/05/1315323205.db2.gz FTWMDKBJXNGFEE-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C[NH2+]1 ZINC001219586920 1315328287 /nfs/dbraw/zinc/32/82/87/1315328287.db2.gz JJDYJEDXWQAVMV-OUJBWJOFSA-N 1 3 330.259 2.640 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)NC[C@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001219685103 1315336206 /nfs/dbraw/zinc/33/62/06/1315336206.db2.gz WRISGKYOOCNVAA-ZHALLVOQSA-N 1 3 331.504 2.964 20 0 EFADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219779265 1315345495 /nfs/dbraw/zinc/34/54/95/1315345495.db2.gz BDTHQLUGEWQFCS-QZTJIDSGSA-N 1 3 327.472 2.518 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054140179 1315354480 /nfs/dbraw/zinc/35/44/80/1315354480.db2.gz CMOVUNSDNKZXLT-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054140179 1315354485 /nfs/dbraw/zinc/35/44/85/1315354485.db2.gz CMOVUNSDNKZXLT-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC(C)(C)Cc1ccc(F)cc1 ZINC001219923310 1315357029 /nfs/dbraw/zinc/35/70/29/1315357029.db2.gz HVYSMGVEUYHEIL-KRWDZBQOSA-N 1 3 337.483 2.759 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940844 1315358137 /nfs/dbraw/zinc/35/81/37/1315358137.db2.gz GUSZTSYEINMMBF-UXHICEINSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940844 1315358142 /nfs/dbraw/zinc/35/81/42/1315358142.db2.gz GUSZTSYEINMMBF-UXHICEINSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142716 1315359135 /nfs/dbraw/zinc/35/91/35/1315359135.db2.gz HHXLMFUGHUSFAZ-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142716 1315359139 /nfs/dbraw/zinc/35/91/39/1315359139.db2.gz HHXLMFUGHUSFAZ-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143826 1315361758 /nfs/dbraw/zinc/36/17/58/1315361758.db2.gz LGNTXFGCTXTSQK-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143826 1315361759 /nfs/dbraw/zinc/36/17/59/1315361759.db2.gz LGNTXFGCTXTSQK-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144706 1315362778 /nfs/dbraw/zinc/36/27/78/1315362778.db2.gz CDNKMIFCMFTQTA-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144706 1315362780 /nfs/dbraw/zinc/36/27/80/1315362780.db2.gz CDNKMIFCMFTQTA-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CN(C)C2CCC2)C3)C1 ZINC001054145920 1315365466 /nfs/dbraw/zinc/36/54/66/1315365466.db2.gz ZZTGIFNQSHURSH-NGICGMGXSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)CN(C)C2CCC2)C3)C1 ZINC001054145920 1315365469 /nfs/dbraw/zinc/36/54/69/1315365469.db2.gz ZZTGIFNQSHURSH-NGICGMGXSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054148026 1315369140 /nfs/dbraw/zinc/36/91/40/1315369140.db2.gz DOYYXGAKOPQYJC-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054148026 1315369144 /nfs/dbraw/zinc/36/91/44/1315369144.db2.gz DOYYXGAKOPQYJC-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1)[NH+](C)C ZINC001054148130 1315370857 /nfs/dbraw/zinc/37/08/57/1315370857.db2.gz HJAKJFDVQZFOHB-SEHGVRFQSA-N 1 3 341.927 2.640 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220221302 1315386762 /nfs/dbraw/zinc/38/67/62/1315386762.db2.gz YWFGGGWSNDYVAA-VJANTYMQSA-N 1 3 329.488 2.859 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC001220245094 1315388588 /nfs/dbraw/zinc/38/85/88/1315388588.db2.gz FSJCMOYKLGXHOB-IBGZPJMESA-N 1 3 327.472 2.558 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1ccc2ccccc2c1 ZINC001220248205 1315390011 /nfs/dbraw/zinc/39/00/11/1315390011.db2.gz MAGXORYCNBDWCL-FQEVSTJZSA-N 1 3 341.499 2.994 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001220289008 1315396016 /nfs/dbraw/zinc/39/60/16/1315396016.db2.gz OYNTUPGRRFKUER-BRWVUGGUSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289008 1315396021 /nfs/dbraw/zinc/39/60/21/1315396021.db2.gz OYNTUPGRRFKUER-BRWVUGGUSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289008 1315396026 /nfs/dbraw/zinc/39/60/26/1315396026.db2.gz OYNTUPGRRFKUER-BRWVUGGUSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220384590 1315405324 /nfs/dbraw/zinc/40/53/24/1315405324.db2.gz YBAISNOHCIVZKH-CTNGQTDRSA-N 1 3 349.478 2.864 20 0 EFADHO COc1ccc([C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(F)c1 ZINC001220392206 1315405997 /nfs/dbraw/zinc/40/59/97/1315405997.db2.gz ZIHRVTPZKWKKJC-GUYCJALGSA-N 1 3 339.455 2.507 20 0 EFADHO CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252048002 1315408134 /nfs/dbraw/zinc/40/81/34/1315408134.db2.gz SOWMQDLWCCNFEG-GOSISDBHSA-N 1 3 340.895 2.539 20 0 EFADHO CC(C)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cc1 ZINC001220437837 1315412659 /nfs/dbraw/zinc/41/26/59/1315412659.db2.gz INILPEIIIHEAPD-DLBZAZTESA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cc1 ZINC001220437837 1315412663 /nfs/dbraw/zinc/41/26/63/1315412663.db2.gz INILPEIIIHEAPD-DLBZAZTESA-N 1 3 333.451 2.513 20 0 EFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494184 1315420250 /nfs/dbraw/zinc/42/02/50/1315420250.db2.gz FYRJREVXYJHLFG-IBGZPJMESA-N 1 3 337.467 2.611 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001039049763 1315422934 /nfs/dbraw/zinc/42/29/34/1315422934.db2.gz MYPFENFZBOZKPS-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001039049763 1315422937 /nfs/dbraw/zinc/42/29/37/1315422937.db2.gz MYPFENFZBOZKPS-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO O[C@@H](COCc1ccccc1)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252282605 1315427273 /nfs/dbraw/zinc/42/72/73/1315427273.db2.gz QMIGJLQUOLBMHB-NHCUHLMSSA-N 1 3 346.515 2.905 20 0 EFADHO O[C@@H](COCc1ccccc1)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252282605 1315427278 /nfs/dbraw/zinc/42/72/78/1315427278.db2.gz QMIGJLQUOLBMHB-NHCUHLMSSA-N 1 3 346.515 2.905 20 0 EFADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220680522 1315439789 /nfs/dbraw/zinc/43/97/89/1315439789.db2.gz GXCQAOBTYNKYJI-BRIYLRKRSA-N 1 3 327.472 2.659 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198047 1315442226 /nfs/dbraw/zinc/44/22/26/1315442226.db2.gz OINRLEMHOWQJLN-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198047 1315442230 /nfs/dbraw/zinc/44/22/30/1315442230.db2.gz OINRLEMHOWQJLN-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197615 1315443100 /nfs/dbraw/zinc/44/31/00/1315443100.db2.gz FVVFXDAGGAXULX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197615 1315443105 /nfs/dbraw/zinc/44/31/05/1315443105.db2.gz FVVFXDAGGAXULX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001054197727 1315443241 /nfs/dbraw/zinc/44/32/41/1315443241.db2.gz HHGCAQVASFLNJB-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001054197727 1315443243 /nfs/dbraw/zinc/44/32/43/1315443243.db2.gz HHGCAQVASFLNJB-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209161 1315459008 /nfs/dbraw/zinc/45/90/08/1315459008.db2.gz KKZTWUASNIZFSM-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209161 1315459011 /nfs/dbraw/zinc/45/90/11/1315459011.db2.gz KKZTWUASNIZFSM-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001220964568 1315468257 /nfs/dbraw/zinc/46/82/57/1315468257.db2.gz HFLHPQGOTAMRKQ-QAPCUYQASA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001220964568 1315468259 /nfs/dbraw/zinc/46/82/59/1315468259.db2.gz HFLHPQGOTAMRKQ-QAPCUYQASA-N 1 3 329.488 2.861 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221035257 1315474812 /nfs/dbraw/zinc/47/48/12/1315474812.db2.gz YGSBFQHSCNDQGL-RBUKOAKNSA-N 1 3 347.478 2.890 20 0 EFADHO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680639 1315486193 /nfs/dbraw/zinc/48/61/93/1315486193.db2.gz DONVHTNGFLUQEV-LEWJYISDSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680639 1315486196 /nfs/dbraw/zinc/48/61/96/1315486196.db2.gz DONVHTNGFLUQEV-LEWJYISDSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)CN(C(=O)[C@H]1NCCC[C@H]1C(F)(F)F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188432 1315490114 /nfs/dbraw/zinc/49/01/14/1315490114.db2.gz WBGWWDHHLVBDHM-TUVASFSCSA-N 1 3 349.441 2.671 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039117444 1315494396 /nfs/dbraw/zinc/49/43/96/1315494396.db2.gz WYNHKGCDIJGZNF-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039117444 1315494400 /nfs/dbraw/zinc/49/44/00/1315494400.db2.gz WYNHKGCDIJGZNF-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001221240996 1315495810 /nfs/dbraw/zinc/49/58/10/1315495810.db2.gz KKNPOJMBHJOXMR-QILLFSRXSA-N 1 3 335.879 2.548 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054244590 1315515092 /nfs/dbraw/zinc/51/50/92/1315515092.db2.gz HPJJQWHCEAEOSW-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054244590 1315515095 /nfs/dbraw/zinc/51/50/95/1315515095.db2.gz HPJJQWHCEAEOSW-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132910 1315516485 /nfs/dbraw/zinc/51/64/85/1315516485.db2.gz CVYCBLBMMCUJEZ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132910 1315516488 /nfs/dbraw/zinc/51/64/88/1315516488.db2.gz CVYCBLBMMCUJEZ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134517 1315517765 /nfs/dbraw/zinc/51/77/65/1315517765.db2.gz RALIKYFBWIEOEJ-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134517 1315517768 /nfs/dbraw/zinc/51/77/68/1315517768.db2.gz RALIKYFBWIEOEJ-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054245633 1315517871 /nfs/dbraw/zinc/51/78/71/1315517871.db2.gz XETSURJZFJAURP-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054245633 1315517874 /nfs/dbraw/zinc/51/78/74/1315517874.db2.gz XETSURJZFJAURP-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC001252865541 1315518169 /nfs/dbraw/zinc/51/81/69/1315518169.db2.gz JPOJHDVIIJKVBB-HXUWFJFHSA-N 1 3 343.446 2.756 20 0 EFADHO CCCOC1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252927439 1315535298 /nfs/dbraw/zinc/53/52/98/1315535298.db2.gz IQNIKGSWGXKRQN-HXUWFJFHSA-N 1 3 332.488 2.514 20 0 EFADHO CCCOC1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252927439 1315535302 /nfs/dbraw/zinc/53/53/02/1315535302.db2.gz IQNIKGSWGXKRQN-HXUWFJFHSA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001054297973 1315535887 /nfs/dbraw/zinc/53/58/87/1315535887.db2.gz HKZANTRSLOZFNO-YZGWKJHDSA-N 1 3 343.515 2.841 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153683 1315548577 /nfs/dbraw/zinc/54/85/77/1315548577.db2.gz FLFCYXSIIHPTKL-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153683 1315548579 /nfs/dbraw/zinc/54/85/79/1315548579.db2.gz FLFCYXSIIHPTKL-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544228 1315548740 /nfs/dbraw/zinc/54/87/40/1315548740.db2.gz QHSPGDZDTPHDOZ-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544228 1315548744 /nfs/dbraw/zinc/54/87/44/1315548744.db2.gz QHSPGDZDTPHDOZ-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039154495 1315549922 /nfs/dbraw/zinc/54/99/22/1315549922.db2.gz ZQSFIUPDJWSICL-RTBURBONSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039154495 1315549925 /nfs/dbraw/zinc/54/99/25/1315549925.db2.gz ZQSFIUPDJWSICL-RTBURBONSA-N 1 3 335.536 2.543 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253009144 1315551869 /nfs/dbraw/zinc/55/18/69/1315551869.db2.gz GCFWNRPRSBANJZ-ROUUACIJSA-N 1 3 326.525 2.608 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039159210 1315555282 /nfs/dbraw/zinc/55/52/82/1315555282.db2.gz HGNFIHBIALJFJM-BRLJPEOMSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039159210 1315555284 /nfs/dbraw/zinc/55/52/84/1315555284.db2.gz HGNFIHBIALJFJM-BRLJPEOMSA-N 1 3 341.927 2.640 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588114 1315558364 /nfs/dbraw/zinc/55/83/64/1315558364.db2.gz UMLQEPIHBNEJMK-RCKLCRPTSA-N 1 3 339.499 2.555 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588114 1315558366 /nfs/dbraw/zinc/55/83/66/1315558366.db2.gz UMLQEPIHBNEJMK-RCKLCRPTSA-N 1 3 339.499 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CCC4CC4)C3)CC2)C1 ZINC001039163359 1315561591 /nfs/dbraw/zinc/56/15/91/1315561591.db2.gz BBDWHXTUXYSZHD-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CCC4CC4)C3)CC2)C1 ZINC001039163359 1315561595 /nfs/dbraw/zinc/56/15/95/1315561595.db2.gz BBDWHXTUXYSZHD-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163621 1315561672 /nfs/dbraw/zinc/56/16/72/1315561672.db2.gz DSKKHYVSGJOFKZ-ICSRJNTNSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163621 1315561675 /nfs/dbraw/zinc/56/16/75/1315561675.db2.gz DSKKHYVSGJOFKZ-ICSRJNTNSA-N 1 3 349.563 2.935 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039164298 1315562625 /nfs/dbraw/zinc/56/26/25/1315562625.db2.gz IPUXRHUKZKYWBV-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039164298 1315562629 /nfs/dbraw/zinc/56/26/29/1315562629.db2.gz IPUXRHUKZKYWBV-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039164294 1315563163 /nfs/dbraw/zinc/56/31/63/1315563163.db2.gz IPUXRHUKZKYWBV-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039164294 1315563168 /nfs/dbraw/zinc/56/31/68/1315563168.db2.gz IPUXRHUKZKYWBV-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165257 1315565744 /nfs/dbraw/zinc/56/57/44/1315565744.db2.gz LHMZFPAYEUGYSE-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165257 1315565745 /nfs/dbraw/zinc/56/57/45/1315565745.db2.gz LHMZFPAYEUGYSE-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054651554 1315567848 /nfs/dbraw/zinc/56/78/48/1315567848.db2.gz YLYYQTDZRPUCRD-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001221657362 1315571586 /nfs/dbraw/zinc/57/15/86/1315571586.db2.gz SUIHGFPHOCEFAG-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001221657362 1315571590 /nfs/dbraw/zinc/57/15/90/1315571590.db2.gz SUIHGFPHOCEFAG-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001253185130 1315577674 /nfs/dbraw/zinc/57/76/74/1315577674.db2.gz CRVVJGAHSYXCKI-LJQANCHMSA-N 1 3 330.516 2.978 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039173568 1315578253 /nfs/dbraw/zinc/57/82/53/1315578253.db2.gz ZRGXQPHDAAFZQU-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039173568 1315578256 /nfs/dbraw/zinc/57/82/56/1315578256.db2.gz ZRGXQPHDAAFZQU-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180923 1315588226 /nfs/dbraw/zinc/58/82/26/1315588226.db2.gz YJRRAOYIWSLOKE-OALUTQOASA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180923 1315588230 /nfs/dbraw/zinc/58/82/30/1315588230.db2.gz YJRRAOYIWSLOKE-OALUTQOASA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)(C)OC[C@H](O)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001253455079 1315605675 /nfs/dbraw/zinc/60/56/75/1315605675.db2.gz CWWJJIQIGFZQJO-HXUWFJFHSA-N 1 3 346.515 2.685 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000191821 1315647755 /nfs/dbraw/zinc/64/77/55/1315647755.db2.gz KESJLTNFNCJFOB-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001000191856 1315648112 /nfs/dbraw/zinc/64/81/12/1315648112.db2.gz KQCGAEVRSBFAMA-MAUKXSAKSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001000192557 1315648325 /nfs/dbraw/zinc/64/83/25/1315648325.db2.gz MTYSNKWAYLHPSU-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001000192557 1315648328 /nfs/dbraw/zinc/64/83/28/1315648328.db2.gz MTYSNKWAYLHPSU-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001000314523 1315653539 /nfs/dbraw/zinc/65/35/39/1315653539.db2.gz YBHCCCOJIPDNHW-VQIMIIECSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000321639 1315654140 /nfs/dbraw/zinc/65/41/40/1315654140.db2.gz UMCCKFMRUSONFM-RDJZCZTQSA-N 1 3 326.444 2.602 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238142 1315664102 /nfs/dbraw/zinc/66/41/02/1315664102.db2.gz MLWIAOAUPAULJW-WMZOPIPTSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238142 1315664105 /nfs/dbraw/zinc/66/41/05/1315664105.db2.gz MLWIAOAUPAULJW-WMZOPIPTSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238139 1315664204 /nfs/dbraw/zinc/66/42/04/1315664204.db2.gz MLWIAOAUPAULJW-AEFFLSMTSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238139 1315664207 /nfs/dbraw/zinc/66/42/07/1315664207.db2.gz MLWIAOAUPAULJW-AEFFLSMTSA-N 1 3 330.476 2.621 20 0 EFADHO OC1(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038657 1315667883 /nfs/dbraw/zinc/66/78/83/1315667883.db2.gz MRTKENADICSLPB-QGZVFWFLSA-N 1 3 336.426 2.745 20 0 EFADHO OC1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038657 1315667886 /nfs/dbraw/zinc/66/78/86/1315667886.db2.gz MRTKENADICSLPB-QGZVFWFLSA-N 1 3 336.426 2.745 20 0 EFADHO C[N@H+](C[C@H]1CCCCO1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038945 1315668206 /nfs/dbraw/zinc/66/82/06/1315668206.db2.gz SNMGJJXQAGBIJJ-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO C[N@@H+](C[C@H]1CCCCO1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038945 1315668210 /nfs/dbraw/zinc/66/82/10/1315668210.db2.gz SNMGJJXQAGBIJJ-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CCOCC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254039412 1315668466 /nfs/dbraw/zinc/66/84/66/1315668466.db2.gz FQTKGTTVTAAHNM-UHFFFAOYSA-N 1 3 346.515 2.762 20 0 EFADHO Cc1ncccc1CN(C)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039694 1315668619 /nfs/dbraw/zinc/66/86/19/1315668619.db2.gz ATASINSMCDVKBV-UHFFFAOYSA-N 1 3 339.483 2.849 20 0 EFADHO Cc1ncccc1C[N@@H+](C)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039694 1315668620 /nfs/dbraw/zinc/66/86/20/1315668620.db2.gz ATASINSMCDVKBV-UHFFFAOYSA-N 1 3 339.483 2.849 20 0 EFADHO Cc1ncccc1C[N@H+](C)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039694 1315668622 /nfs/dbraw/zinc/66/86/22/1315668622.db2.gz ATASINSMCDVKBV-UHFFFAOYSA-N 1 3 339.483 2.849 20 0 EFADHO COCCOc1c(F)cc(C[NH2+][C@@H]2CCCN(C)CC2)cc1F ZINC001254511829 1315711680 /nfs/dbraw/zinc/71/16/80/1315711680.db2.gz FWOUWUXCCCVGIM-CQSZACIVSA-N 1 3 328.403 2.564 20 0 EFADHO CN1CCC[C@@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)CC1 ZINC001254510078 1315712206 /nfs/dbraw/zinc/71/22/06/1315712206.db2.gz LMXUIIREWIIGGJ-GOSISDBHSA-N 1 3 335.455 2.970 20 0 EFADHO CN1CCC[C@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)CC1 ZINC001254522450 1315717105 /nfs/dbraw/zinc/71/71/05/1315717105.db2.gz GEQZTPAPRABVSJ-LBPRGKRZSA-N 1 3 332.370 2.752 20 0 EFADHO COC(=O)c1ccc(OC2CCN([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254522941 1315717244 /nfs/dbraw/zinc/71/72/44/1315717244.db2.gz KWWAOLGNQXDGSM-KRWDZBQOSA-N 1 3 346.471 2.801 20 0 EFADHO COC(=O)c1ccc(OC2CCN([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254522941 1315717247 /nfs/dbraw/zinc/71/72/47/1315717247.db2.gz KWWAOLGNQXDGSM-KRWDZBQOSA-N 1 3 346.471 2.801 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254534267 1315721339 /nfs/dbraw/zinc/72/13/39/1315721339.db2.gz VCHYAGYFHCYXDK-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254534267 1315721343 /nfs/dbraw/zinc/72/13/43/1315721343.db2.gz VCHYAGYFHCYXDK-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)N(CCC[NH3+])[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683030 1315740730 /nfs/dbraw/zinc/74/07/30/1315740730.db2.gz RSVFUXIHZDSJIO-AWEZNQCLSA-N 1 3 343.537 2.541 20 0 EFADHO CC(C)[N@H+](CCCN)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683030 1315740733 /nfs/dbraw/zinc/74/07/33/1315740733.db2.gz RSVFUXIHZDSJIO-AWEZNQCLSA-N 1 3 343.537 2.541 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683030 1315740736 /nfs/dbraw/zinc/74/07/36/1315740736.db2.gz RSVFUXIHZDSJIO-AWEZNQCLSA-N 1 3 343.537 2.541 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001254754706 1315743929 /nfs/dbraw/zinc/74/39/29/1315743929.db2.gz SDCDXIKEXOZIGA-MRXNPFEDSA-N 1 3 337.508 2.852 20 0 EFADHO CCC[N@H+](CCCN)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758024 1315744595 /nfs/dbraw/zinc/74/45/95/1315744595.db2.gz FZFZMBJTWYPWDA-HNNXBMFYSA-N 1 3 325.497 2.837 20 0 EFADHO CCC[N@@H+](CCCN)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758024 1315744598 /nfs/dbraw/zinc/74/45/98/1315744598.db2.gz FZFZMBJTWYPWDA-HNNXBMFYSA-N 1 3 325.497 2.837 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001254785429 1315744923 /nfs/dbraw/zinc/74/49/23/1315744923.db2.gz HCDVPSRKZMFYPT-MRXNPFEDSA-N 1 3 349.519 2.804 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373465 1315746294 /nfs/dbraw/zinc/74/62/94/1315746294.db2.gz VUYUWROEPLUEHI-QYZOEREBSA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373465 1315746295 /nfs/dbraw/zinc/74/62/95/1315746295.db2.gz VUYUWROEPLUEHI-QYZOEREBSA-N 1 3 333.520 2.891 20 0 EFADHO [NH3+]C[C@@H](N[C@@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1 ZINC001254840770 1315748061 /nfs/dbraw/zinc/74/80/61/1315748061.db2.gz NQXQBRKSYOBXPJ-HZPDHXFCSA-N 1 3 338.293 2.523 20 0 EFADHO CCC[N@H+](CCCN)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254885780 1315754347 /nfs/dbraw/zinc/75/43/47/1315754347.db2.gz GCISPOIXGZJKHJ-MUJYYYPQSA-N 1 3 325.497 2.693 20 0 EFADHO CCC[N@@H+](CCCN)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254885780 1315754349 /nfs/dbraw/zinc/75/43/49/1315754349.db2.gz GCISPOIXGZJKHJ-MUJYYYPQSA-N 1 3 325.497 2.693 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254903360 1315757386 /nfs/dbraw/zinc/75/73/86/1315757386.db2.gz FOGBBUJVZNWYQL-ZBRFXRBCSA-N 1 3 349.519 2.515 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254903360 1315757389 /nfs/dbraw/zinc/75/73/89/1315757389.db2.gz FOGBBUJVZNWYQL-ZBRFXRBCSA-N 1 3 349.519 2.515 20 0 EFADHO O=C1C[C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccccn4)CC3)C[C@H]2C1 ZINC001254936385 1315760451 /nfs/dbraw/zinc/76/04/51/1315760451.db2.gz VCIWYCUXUHNFPW-DZFIZOCASA-N 1 3 327.472 2.641 20 0 EFADHO O=C1C[C@@H]2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C[C@H]2C1 ZINC001254935239 1315760708 /nfs/dbraw/zinc/76/07/08/1315760708.db2.gz NMHLZINCDINVQT-ROUUACIJSA-N 1 3 327.472 2.641 20 0 EFADHO COc1ccccc1CC1([NH3+])CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254940360 1315761637 /nfs/dbraw/zinc/76/16/37/1315761637.db2.gz LZKPCWRACIJZBP-IAGOWNOFSA-N 1 3 342.483 2.789 20 0 EFADHO COc1ccc(CC2([NH3+])CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)cc1 ZINC001254942268 1315761659 /nfs/dbraw/zinc/76/16/59/1315761659.db2.gz VCJXEXDNCFZPMR-IAGOWNOFSA-N 1 3 342.483 2.789 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C1Cc3ccccc3C1)C2 ZINC001255022306 1315772821 /nfs/dbraw/zinc/77/28/21/1315772821.db2.gz GTXBMYCOEWXPQI-RBBKRZOGSA-N 1 3 340.511 2.834 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C1Cc3ccccc3C1)C2 ZINC001255022306 1315772825 /nfs/dbraw/zinc/77/28/25/1315772825.db2.gz GTXBMYCOEWXPQI-RBBKRZOGSA-N 1 3 340.511 2.834 20 0 EFADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255123487 1315779448 /nfs/dbraw/zinc/77/94/48/1315779448.db2.gz BZNDAAXQWYWTAF-OWZKRDHZSA-N 1 3 341.499 2.784 20 0 EFADHO O=C(CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255123487 1315779450 /nfs/dbraw/zinc/77/94/50/1315779450.db2.gz BZNDAAXQWYWTAF-OWZKRDHZSA-N 1 3 341.499 2.784 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255125713 1315779540 /nfs/dbraw/zinc/77/95/40/1315779540.db2.gz DXXNKSSSDPAHLK-LMZXCBKASA-N 1 3 328.456 2.723 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125713 1315779543 /nfs/dbraw/zinc/77/95/43/1315779543.db2.gz DXXNKSSSDPAHLK-LMZXCBKASA-N 1 3 328.456 2.723 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC001050652668 1315789800 /nfs/dbraw/zinc/78/98/00/1315789800.db2.gz XMAHETBUKWTFJV-LJQANCHMSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[NH+]1CCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001050662735 1315793117 /nfs/dbraw/zinc/79/31/17/1315793117.db2.gz MXXDQGMTVGKCOO-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001050663717 1315794301 /nfs/dbraw/zinc/79/43/01/1315794301.db2.gz ZZLHFYQOZDOWHQ-INIZCTEOSA-N 1 3 347.528 2.657 20 0 EFADHO CCCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255309237 1315802531 /nfs/dbraw/zinc/80/25/31/1315802531.db2.gz AMVMNYTUIYOLKF-MJGOQNOKSA-N 1 3 345.531 2.970 20 0 EFADHO NC(=O)c1ccccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383358 1315814432 /nfs/dbraw/zinc/81/44/32/1315814432.db2.gz IEGZLQRSSAHILY-LJQANCHMSA-N 1 3 337.467 2.930 20 0 EFADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)NCc1ccco1 ZINC001255388597 1315814496 /nfs/dbraw/zinc/81/44/96/1315814496.db2.gz GHVTZQFZORONRA-GOSISDBHSA-N 1 3 341.455 2.540 20 0 EFADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383896 1315814803 /nfs/dbraw/zinc/81/48/03/1315814803.db2.gz PKXMXAZACNDTON-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)NC1CCCC1 ZINC001255384258 1315814859 /nfs/dbraw/zinc/81/48/59/1315814859.db2.gz WQSNMMJOKSEVMY-SFHVURJKSA-N 1 3 329.488 2.690 20 0 EFADHO O[C@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255393632 1315815162 /nfs/dbraw/zinc/81/51/62/1315815162.db2.gz PPPLUHLTRITUSD-WOJBJXKFSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255393632 1315815166 /nfs/dbraw/zinc/81/51/66/1315815166.db2.gz PPPLUHLTRITUSD-WOJBJXKFSA-N 1 3 325.456 2.759 20 0 EFADHO COC(=O)[C@H]1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398627 1315818162 /nfs/dbraw/zinc/81/81/62/1315818162.db2.gz LKCHZHOTFOOGDS-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)[C@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398627 1315818164 /nfs/dbraw/zinc/81/81/64/1315818164.db2.gz LKCHZHOTFOOGDS-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@H]2CCC[N@@H+](C)C2)CC3)cs1 ZINC001255482162 1315829768 /nfs/dbraw/zinc/82/97/68/1315829768.db2.gz GOBOOEASNMOZAU-SFHVURJKSA-N 1 3 348.560 2.976 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@H]2CCC[N@H+](C)C2)CC3)cs1 ZINC001255482162 1315829770 /nfs/dbraw/zinc/82/97/70/1315829770.db2.gz GOBOOEASNMOZAU-SFHVURJKSA-N 1 3 348.560 2.976 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](CC3CC3)CC3CCC3)CC2)C1 ZINC001039489395 1315838466 /nfs/dbraw/zinc/83/84/66/1315838466.db2.gz UFEIGXHWLCPETJ-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](CC3CC3)CC3CCC3)CC2)C1 ZINC001039489395 1315838468 /nfs/dbraw/zinc/83/84/68/1315838468.db2.gz UFEIGXHWLCPETJ-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO COC[C@@H](C)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001255574326 1315842161 /nfs/dbraw/zinc/84/21/61/1315842161.db2.gz RFKUFUFNXOZIPI-MJGOQNOKSA-N 1 3 332.488 2.777 20 0 EFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051306828 1315846965 /nfs/dbraw/zinc/84/69/65/1315846965.db2.gz SPGDKWCBCDQKOH-IBGZPJMESA-N 1 3 341.499 2.579 20 0 EFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051306828 1315846969 /nfs/dbraw/zinc/84/69/69/1315846969.db2.gz SPGDKWCBCDQKOH-IBGZPJMESA-N 1 3 341.499 2.579 20 0 EFADHO c1ccc(CN2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)nc1 ZINC001255619376 1315848658 /nfs/dbraw/zinc/84/86/58/1315848658.db2.gz JZWZJSVASCXEKU-UHFFFAOYSA-N 1 3 345.487 2.569 20 0 EFADHO CCS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001255670379 1315855293 /nfs/dbraw/zinc/85/52/93/1315855293.db2.gz QVBMSLGNYAANCY-ALOPSCKCSA-N 1 3 336.501 2.585 20 0 EFADHO COC(=O)c1cccc2c1CC[N@@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255682052 1315858078 /nfs/dbraw/zinc/85/80/78/1315858078.db2.gz IFWPKIPSSMNQPT-SJPCQFCGSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1cccc2c1CC[N@H+](C1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001255682052 1315858081 /nfs/dbraw/zinc/85/80/81/1315858081.db2.gz IFWPKIPSSMNQPT-SJPCQFCGSA-N 1 3 328.456 2.847 20 0 EFADHO COc1cccnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255682061 1315858216 /nfs/dbraw/zinc/85/82/16/1315858216.db2.gz ILXUMZMTYMJSOM-WFVVYAPDSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255682061 1315858217 /nfs/dbraw/zinc/85/82/17/1315858217.db2.gz ILXUMZMTYMJSOM-WFVVYAPDSA-N 1 3 331.460 2.559 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039579680 1315879341 /nfs/dbraw/zinc/87/93/41/1315879341.db2.gz RSNVNZRCXMWZKQ-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039579680 1315879342 /nfs/dbraw/zinc/87/93/42/1315879342.db2.gz RSNVNZRCXMWZKQ-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919572 1315880909 /nfs/dbraw/zinc/88/09/09/1315880909.db2.gz NGTXSDSXNKAIOG-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919572 1315880912 /nfs/dbraw/zinc/88/09/12/1315880912.db2.gz NGTXSDSXNKAIOG-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC001255940943 1315882438 /nfs/dbraw/zinc/88/24/38/1315882438.db2.gz JPOUTFDEAPBENX-CQSZACIVSA-N 1 3 339.915 2.809 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255941937 1315882442 /nfs/dbraw/zinc/88/24/42/1315882442.db2.gz ZZVVFWREBFMFHM-HRCADAONSA-N 1 3 327.513 2.952 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255941936 1315882648 /nfs/dbraw/zinc/88/26/48/1315882648.db2.gz ZZVVFWREBFMFHM-ARFHVFGLSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255939117 1315882675 /nfs/dbraw/zinc/88/26/75/1315882675.db2.gz AHLSPXJBKCKOLK-VQHPVUNQSA-N 1 3 339.524 2.809 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001255951834 1315884046 /nfs/dbraw/zinc/88/40/46/1315884046.db2.gz BIDJVLKCFORKPR-QAPCUYQASA-N 1 3 335.467 2.750 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001255954776 1315884429 /nfs/dbraw/zinc/88/44/29/1315884429.db2.gz ZZYHZJRXUFWNRO-KZNAEPCWSA-N 1 3 346.519 2.833 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962438 1315886045 /nfs/dbraw/zinc/88/60/45/1315886045.db2.gz VNCBDXGMMIFNKB-TVFCKZIOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962438 1315886047 /nfs/dbraw/zinc/88/60/47/1315886047.db2.gz VNCBDXGMMIFNKB-TVFCKZIOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962438 1315886050 /nfs/dbraw/zinc/88/60/50/1315886050.db2.gz VNCBDXGMMIFNKB-TVFCKZIOSA-N 1 3 335.536 2.734 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001255964017 1315886477 /nfs/dbraw/zinc/88/64/77/1315886477.db2.gz VSNJBZLUHZPHGO-YESZJQIVSA-N 1 3 336.549 2.627 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001255963269 1315886590 /nfs/dbraw/zinc/88/65/90/1315886590.db2.gz OVEZBCWIMBVESB-RYQLBKOJSA-N 1 3 349.544 2.872 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001255963269 1315886593 /nfs/dbraw/zinc/88/65/93/1315886593.db2.gz OVEZBCWIMBVESB-RYQLBKOJSA-N 1 3 349.544 2.872 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)C1 ZINC001039621392 1315886690 /nfs/dbraw/zinc/88/66/90/1315886690.db2.gz VAFXTSRAHJUWFH-ZCFHBRKKSA-N 1 3 347.547 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)C1 ZINC001039621392 1315886693 /nfs/dbraw/zinc/88/66/93/1315886693.db2.gz VAFXTSRAHJUWFH-ZCFHBRKKSA-N 1 3 347.547 2.972 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001255964019 1315886684 /nfs/dbraw/zinc/88/66/84/1315886684.db2.gz VSNJBZLUHZPHGO-ZACQAIPSSA-N 1 3 336.549 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001039621567 1315887397 /nfs/dbraw/zinc/88/73/97/1315887397.db2.gz ZWOHGYITVAFMKH-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001039621567 1315887400 /nfs/dbraw/zinc/88/74/00/1315887400.db2.gz ZWOHGYITVAFMKH-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)CC[C@@H](NC1CCN(c2ncccn2)CC1)c1ccccc1 ZINC001256045660 1315896300 /nfs/dbraw/zinc/89/63/00/1315896300.db2.gz RKBHYFYGIBSVEA-LJQANCHMSA-N 1 3 339.487 2.728 20 0 EFADHO c1cncc(CN2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)c1 ZINC001256072442 1315899276 /nfs/dbraw/zinc/89/92/76/1315899276.db2.gz NFCRUPBRHTUUMV-UHFFFAOYSA-N 1 3 328.504 2.510 20 0 EFADHO Cc1ccc(CN2C[C@H]3C[NH+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078197 1315901215 /nfs/dbraw/zinc/90/12/15/1315901215.db2.gz XERSFXSDLZDTBM-PMACEKPBSA-N 1 3 339.527 2.985 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CCC1=O ZINC001256120721 1315906475 /nfs/dbraw/zinc/90/64/75/1315906475.db2.gz JJCOCSNIKCWXCP-VQTJNVASSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@@H]2CCC[C@H](c3ccccc3)C2)CCC1=O ZINC001256120721 1315906478 /nfs/dbraw/zinc/90/64/78/1315906478.db2.gz JJCOCSNIKCWXCP-VQTJNVASSA-N 1 3 343.515 2.809 20 0 EFADHO COCCN(C)[C@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001256201380 1315916123 /nfs/dbraw/zinc/91/61/23/1315916123.db2.gz AQEKGIXPISHRIP-GOSISDBHSA-N 1 3 339.911 2.643 20 0 EFADHO C[NH+]1CCC(NC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC001256199490 1315916738 /nfs/dbraw/zinc/91/67/38/1315916738.db2.gz BSJZQVQADZKRFS-SFHVURJKSA-N 1 3 347.503 2.806 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC(N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001256470415 1315945425 /nfs/dbraw/zinc/94/54/25/1315945425.db2.gz VEEMPTALJVOGRQ-GDBMZVCRSA-N 1 3 325.497 2.800 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471188 1315945747 /nfs/dbraw/zinc/94/57/47/1315945747.db2.gz HXUZBAMOSCIXBM-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471188 1315945750 /nfs/dbraw/zinc/94/57/50/1315945750.db2.gz HXUZBAMOSCIXBM-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471189 1315945975 /nfs/dbraw/zinc/94/59/75/1315945975.db2.gz HXUZBAMOSCIXBM-YVSFHVDLSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471189 1315945978 /nfs/dbraw/zinc/94/59/78/1315945978.db2.gz HXUZBAMOSCIXBM-YVSFHVDLSA-N 1 3 337.508 2.658 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001052443897 1315948258 /nfs/dbraw/zinc/94/82/58/1315948258.db2.gz BEIFCDSHDVOVIG-AQBSSDIKSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001052443897 1315948260 /nfs/dbraw/zinc/94/82/60/1315948260.db2.gz BEIFCDSHDVOVIG-AQBSSDIKSA-N 1 3 341.927 2.973 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039795860 1315949236 /nfs/dbraw/zinc/94/92/36/1315949236.db2.gz JXQFKNIOQJDAQR-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256526541 1315951009 /nfs/dbraw/zinc/95/10/09/1315951009.db2.gz MERFXEZMLAIXGG-APWZRJJASA-N 1 3 325.456 2.528 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256526541 1315951010 /nfs/dbraw/zinc/95/10/10/1315951010.db2.gz MERFXEZMLAIXGG-APWZRJJASA-N 1 3 325.456 2.528 20 0 EFADHO COCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553684 1315956264 /nfs/dbraw/zinc/95/62/64/1315956264.db2.gz JAMZJXCBJSVAJZ-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO COCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553684 1315956268 /nfs/dbraw/zinc/95/62/68/1315956268.db2.gz JAMZJXCBJSVAJZ-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256559926 1315958559 /nfs/dbraw/zinc/95/85/59/1315958559.db2.gz OUBJWIRECIGXJC-DYESRHJHSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256559926 1315958560 /nfs/dbraw/zinc/95/85/60/1315958560.db2.gz OUBJWIRECIGXJC-DYESRHJHSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC1 ZINC001256565615 1315960008 /nfs/dbraw/zinc/96/00/08/1315960008.db2.gz KMIKZQWDLMAIAJ-INIZCTEOSA-N 1 3 347.478 2.893 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC001256564251 1315960127 /nfs/dbraw/zinc/96/01/27/1315960127.db2.gz VWKRPKDERWJTSN-IBGZPJMESA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256572765 1315961562 /nfs/dbraw/zinc/96/15/62/1315961562.db2.gz XNQZSZRHIGPXHS-FQEVSTJZSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C(=O)N1CCC[C@@]12CC[N@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256572765 1315961565 /nfs/dbraw/zinc/96/15/65/1315961565.db2.gz XNQZSZRHIGPXHS-FQEVSTJZSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001256572715 1315961842 /nfs/dbraw/zinc/96/18/42/1315961842.db2.gz WDLBZUKGZNOBCW-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C)[NH+]1CCC(n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001256576328 1315962575 /nfs/dbraw/zinc/96/25/75/1315962575.db2.gz GBSHJGHWJOHKAB-UHFFFAOYSA-N 1 3 330.398 2.983 20 0 EFADHO [NH3+]Cc1cc(-c2ccncc2)nn1C1CCN(Cc2ccncc2)CC1 ZINC001256583596 1315964428 /nfs/dbraw/zinc/96/44/28/1315964428.db2.gz HEMQUSSJZZCYIZ-UHFFFAOYSA-N 1 3 348.454 2.636 20 0 EFADHO F[C@H]1CN(C2CCN(Cc3ccncc3)CC2)CC[C@@H]1[NH+]1CCCC1 ZINC001256595633 1315967030 /nfs/dbraw/zinc/96/70/30/1315967030.db2.gz JFJCWBNXNLZROP-PMACEKPBSA-N 1 3 346.494 2.554 20 0 EFADHO COC(=O)C[C@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256609963 1315968106 /nfs/dbraw/zinc/96/81/06/1315968106.db2.gz VSXUGZHUDGCIIQ-GOSISDBHSA-N 1 3 330.472 2.926 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256622413 1315970272 /nfs/dbraw/zinc/97/02/72/1315970272.db2.gz ILWNGXHKFNVZIZ-PMRDEQMMSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256622413 1315970273 /nfs/dbraw/zinc/97/02/73/1315970273.db2.gz ILWNGXHKFNVZIZ-PMRDEQMMSA-N 1 3 337.508 2.800 20 0 EFADHO COc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001256642948 1315974560 /nfs/dbraw/zinc/97/45/60/1315974560.db2.gz XZOZUDYZHIKDEG-GUDVDZBRSA-N 1 3 344.499 2.786 20 0 EFADHO c1ccc2c(C[NH2+]C3CCC(N4CCOCC4)CC3)ccnc2c1 ZINC001256676316 1315979596 /nfs/dbraw/zinc/97/95/96/1315979596.db2.gz BOLZHXRYHZYIMB-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO Clc1ccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677717 1315979959 /nfs/dbraw/zinc/97/99/59/1315979959.db2.gz NIFOEMUYGASHHF-UHFFFAOYSA-N 1 3 338.879 2.952 20 0 EFADHO C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc2c(c1)OCCO2 ZINC001256678743 1315980049 /nfs/dbraw/zinc/98/00/49/1315980049.db2.gz ZRODSTMNYFHKBS-ZLPCBKJTSA-N 1 3 346.471 2.752 20 0 EFADHO c1cnn(-c2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2)c1 ZINC001256679830 1315980226 /nfs/dbraw/zinc/98/02/26/1315980226.db2.gz SQPCTWVGCZTQQA-UHFFFAOYSA-N 1 3 340.471 2.605 20 0 EFADHO Fc1cc(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1F ZINC001256679003 1315980353 /nfs/dbraw/zinc/98/03/53/1315980353.db2.gz YUXWXQCWXAAHMD-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678864 1315980438 /nfs/dbraw/zinc/98/04/38/1315980438.db2.gz SWZPCRLCFNBHTP-MHJFOBGBSA-N 1 3 331.504 2.522 20 0 EFADHO [NH3+]CCc1cn(C2CCC(N3CCOCC3)CC2)c2ccccc12 ZINC001256676958 1315980455 /nfs/dbraw/zinc/98/04/55/1315980455.db2.gz JRYOSBRIHVVTJZ-UHFFFAOYSA-N 1 3 327.472 2.958 20 0 EFADHO Fc1ccc2c(c1)OCC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681078 1315980851 /nfs/dbraw/zinc/98/08/51/1315980851.db2.gz JKAABXXGEQMOTD-LEOMRAHMSA-N 1 3 334.435 2.882 20 0 EFADHO CC(C)Oc1ccnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256681011 1315981092 /nfs/dbraw/zinc/98/10/92/1315981092.db2.gz IDDHPCNDRFMRAN-UHFFFAOYSA-N 1 3 333.476 2.602 20 0 EFADHO COc1ccnc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256687025 1315981294 /nfs/dbraw/zinc/98/12/94/1315981294.db2.gz KDKJRJGWUBNMCQ-UHFFFAOYSA-N 1 3 347.503 2.601 20 0 EFADHO COc1cc2c(cc1C)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683151 1315981329 /nfs/dbraw/zinc/98/13/29/1315981329.db2.gz UCQWKWZSBOHHFA-IOJLRTSASA-N 1 3 344.499 2.704 20 0 EFADHO Fc1ncccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687186 1315981543 /nfs/dbraw/zinc/98/15/43/1315981543.db2.gz PIMNHYNXYKLOPR-HTWSVDAQSA-N 1 3 333.451 2.905 20 0 EFADHO C(C1CCC1)C1([NH2+]C2CCC(N3CCOCC3)CC2)CCOCC1 ZINC001256687385 1315981580 /nfs/dbraw/zinc/98/15/80/1315981580.db2.gz UITCYJXCDYELOX-UHFFFAOYSA-N 1 3 336.520 2.959 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256685036 1315981707 /nfs/dbraw/zinc/98/17/07/1315981707.db2.gz XFGFYCCEYVFSCA-UHYCVJNDSA-N 1 3 330.472 2.916 20 0 EFADHO C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCC(N2CCOCC2)CC1 ZINC001256688910 1315982012 /nfs/dbraw/zinc/98/20/12/1315982012.db2.gz NROAZLGGWUOTIO-UHFFFAOYSA-N 1 3 346.471 2.533 20 0 EFADHO C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCC(N2CCOCC2)CC1 ZINC001256688910 1315982015 /nfs/dbraw/zinc/98/20/15/1315982015.db2.gz NROAZLGGWUOTIO-UHFFFAOYSA-N 1 3 346.471 2.533 20 0 EFADHO Fc1cncc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256687615 1315982141 /nfs/dbraw/zinc/98/21/41/1315982141.db2.gz ZQQOAECMHMVNAB-CTWPCTMYSA-N 1 3 333.451 2.905 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688167 1315982389 /nfs/dbraw/zinc/98/23/89/1315982389.db2.gz RSMKGVVIUFIVSY-IPJUCJBFSA-N 1 3 332.488 2.859 20 0 EFADHO CC1(C)C[C@@H](C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)CCO1 ZINC001256688071 1315982475 /nfs/dbraw/zinc/98/24/75/1315982475.db2.gz OVBOEFMEIVRJTM-AOCRQIFASA-N 1 3 336.520 2.957 20 0 EFADHO COc1cc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)cc(OC)c1 ZINC001256695006 1315982754 /nfs/dbraw/zinc/98/27/54/1315982754.db2.gz JSDOPZDXAJPEEG-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO COc1cc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)cc(OC)c1 ZINC001256695006 1315982758 /nfs/dbraw/zinc/98/27/58/1315982758.db2.gz JSDOPZDXAJPEEG-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO C[C@H](Cc1ccncc1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001256720368 1315984838 /nfs/dbraw/zinc/98/48/38/1315984838.db2.gz CVPJZTXWQCMQAY-GOSISDBHSA-N 1 3 338.499 2.550 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256809301 1315993986 /nfs/dbraw/zinc/99/39/86/1315993986.db2.gz YJELSVSXQLLAQC-LEWJYISDSA-N 1 3 345.531 2.866 20 0 EFADHO CC(C)(C)OC(=O)NCC1CN(C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256857631 1316000024 /nfs/dbraw/zinc/00/00/24/1316000024.db2.gz WCFNKBZIGXSQHC-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@@H](CN)C[N@H+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881734 1316004175 /nfs/dbraw/zinc/00/41/75/1316004175.db2.gz QFBUWCPBKKTANX-LBPRGKRZSA-N 1 3 330.398 2.596 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881734 1316004177 /nfs/dbraw/zinc/00/41/77/1316004177.db2.gz QFBUWCPBKKTANX-LBPRGKRZSA-N 1 3 330.398 2.596 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)CC1 ZINC001039892092 1316004782 /nfs/dbraw/zinc/00/47/82/1316004782.db2.gz USMJLZXKVCZJMO-BGYRXZFFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901566 1316006735 /nfs/dbraw/zinc/00/67/35/1316006735.db2.gz YCZSRTYROWLGGV-RDJZCZTQSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901566 1316006737 /nfs/dbraw/zinc/00/67/37/1316006737.db2.gz YCZSRTYROWLGGV-RDJZCZTQSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914215 1316016381 /nfs/dbraw/zinc/01/63/81/1316016381.db2.gz JKXYAGHFLAVCQR-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914215 1316016383 /nfs/dbraw/zinc/01/63/83/1316016383.db2.gz JKXYAGHFLAVCQR-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC1 ZINC001039939780 1316024496 /nfs/dbraw/zinc/02/44/96/1316024496.db2.gz RBIDCBWLFKMGDQ-KDURUIRLSA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)cc1 ZINC001039944284 1316026584 /nfs/dbraw/zinc/02/65/84/1316026584.db2.gz CXWUCKXIFFQNMX-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO CC[C@H]1C[C@H](N2CCC(C)([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257117101 1316035954 /nfs/dbraw/zinc/03/59/54/1316035954.db2.gz MBLMMMPYLOAVBG-LSDHHAIUSA-N 1 3 325.497 2.978 20 0 EFADHO CC[C@@H]1C[C@@H](N2CCC(C)([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257117098 1316036298 /nfs/dbraw/zinc/03/62/98/1316036298.db2.gz MBLMMMPYLOAVBG-CABCVRRESA-N 1 3 325.497 2.978 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001257166970 1316042436 /nfs/dbraw/zinc/04/24/36/1316042436.db2.gz KWCXYMIEZOQWAG-OXQOHEQNSA-N 1 3 330.472 2.822 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001257166970 1316042438 /nfs/dbraw/zinc/04/24/38/1316042438.db2.gz KWCXYMIEZOQWAG-OXQOHEQNSA-N 1 3 330.472 2.822 20 0 EFADHO C[C@@H]1CCN(C(=O)CC[NH2+]C(C)(C)C)CCN1Cc1ccccc1 ZINC000382765810 1316043643 /nfs/dbraw/zinc/04/36/43/1316043643.db2.gz TUZHIKKXIHCNNS-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC001257202165 1316045417 /nfs/dbraw/zinc/04/54/17/1316045417.db2.gz RPDJKFPRAHUMRP-ZBFHGGJFSA-N 1 3 343.487 2.796 20 0 EFADHO Cc1nn(CCNC2CC[NH+](C(C)C)CC2)c(C)c1Br ZINC001257204266 1316046199 /nfs/dbraw/zinc/04/61/99/1316046199.db2.gz CBWHLQKRDNFTQH-UHFFFAOYSA-N 1 3 343.313 2.725 20 0 EFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC001257213698 1316046935 /nfs/dbraw/zinc/04/69/35/1316046935.db2.gz SQNKSWIXTGHLCS-NHCUHLMSSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CC1 ZINC001257220325 1316049498 /nfs/dbraw/zinc/04/94/98/1316049498.db2.gz NMAJIPNJRNWOKP-IBGZPJMESA-N 1 3 341.499 2.813 20 0 EFADHO CCC[C@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257245246 1316050905 /nfs/dbraw/zinc/05/09/05/1316050905.db2.gz MDOUTQUYJYMDOY-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001258008018 1316109549 /nfs/dbraw/zinc/10/95/49/1316109549.db2.gz BFMSVXLWOMFZCJ-LJQANCHMSA-N 1 3 329.488 2.611 20 0 EFADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C3CC[NH+](CC(C)C)CC3)O2)n1 ZINC001258012234 1316109972 /nfs/dbraw/zinc/10/99/72/1316109972.db2.gz QNEDUMWFBKAFLY-KURKYZTESA-N 1 3 348.491 2.793 20 0 EFADHO CC(C)CN1CCC([NH+]2CCC3(CCC(=O)N3CC3CC3)CC2)CC1 ZINC001258012566 1316110130 /nfs/dbraw/zinc/11/01/30/1316110130.db2.gz WQHCZIIHBQJIKR-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H](C)CCSC)CC2)C1 ZINC001258216336 1316132656 /nfs/dbraw/zinc/13/26/56/1316132656.db2.gz XKINKOPABJCVOF-CVEARBPZSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H](C)CCSC)CC2)C1 ZINC001258216336 1316132657 /nfs/dbraw/zinc/13/26/57/1316132657.db2.gz XKINKOPABJCVOF-CVEARBPZSA-N 1 3 342.549 2.868 20 0 EFADHO COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC001258350552 1316142016 /nfs/dbraw/zinc/14/20/16/1316142016.db2.gz BAYLEZDXBWUILL-WZGPROSRSA-N 1 3 330.472 2.828 20 0 EFADHO COC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001258376876 1316146591 /nfs/dbraw/zinc/14/65/91/1316146591.db2.gz LQCFJLKYBIOXIC-QXAKKESOSA-N 1 3 330.472 2.782 20 0 EFADHO COC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001258376876 1316146592 /nfs/dbraw/zinc/14/65/92/1316146592.db2.gz LQCFJLKYBIOXIC-QXAKKESOSA-N 1 3 330.472 2.782 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398780 1316148748 /nfs/dbraw/zinc/14/87/48/1316148748.db2.gz YLXYFMFNKSBROA-LJQANCHMSA-N 1 3 347.547 2.976 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241742 1316161262 /nfs/dbraw/zinc/16/12/62/1316161262.db2.gz SJNSLLOGRHUBEZ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241742 1316161263 /nfs/dbraw/zinc/16/12/63/1316161263.db2.gz SJNSLLOGRHUBEZ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001040241853 1316162087 /nfs/dbraw/zinc/16/20/87/1316162087.db2.gz UIOUHBJHAHIFOS-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001040241853 1316162090 /nfs/dbraw/zinc/16/20/90/1316162090.db2.gz UIOUHBJHAHIFOS-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570767 1316163714 /nfs/dbraw/zinc/16/37/14/1316163714.db2.gz STLYSKUWKBQAPV-RBUKOAKNSA-N 1 3 329.488 2.642 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001258771211 1316175870 /nfs/dbraw/zinc/17/58/70/1316175870.db2.gz YETNDJRNJABTBE-CGTJXYLNSA-N 1 3 349.519 2.872 20 0 EFADHO CCC[NH+]1CCC(NCCc2ncccc2Br)CC1 ZINC001258770596 1316175955 /nfs/dbraw/zinc/17/59/55/1316175955.db2.gz LGRNMSPHHKYUEB-UHFFFAOYSA-N 1 3 326.282 2.851 20 0 EFADHO CCCN1CCC([NH+]2CCC3(CCN(C(=O)OC)CC3)CC2)CC1 ZINC001258771560 1316176479 /nfs/dbraw/zinc/17/64/79/1316176479.db2.gz JTOWNXXTLDIHRH-UHFFFAOYSA-N 1 3 337.508 2.805 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2OC)CC1 ZINC001258771452 1316176582 /nfs/dbraw/zinc/17/65/82/1316176582.db2.gz CHEAJWYSTGEGBA-NHCUHLMSSA-N 1 3 345.531 2.740 20 0 EFADHO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 ZINC001258772872 1316176732 /nfs/dbraw/zinc/17/67/32/1316176732.db2.gz ZOHUJOMGDJHRMX-DOTOQJQBSA-N 1 3 337.508 2.802 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@H]2C1 ZINC001258875553 1316187153 /nfs/dbraw/zinc/18/71/53/1316187153.db2.gz DZXZRIVOTHNPBF-DJIMGWMZSA-N 1 3 348.487 2.527 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCC(=O)c1cc(OC)ccc1OC ZINC001258898415 1316190476 /nfs/dbraw/zinc/19/04/76/1316190476.db2.gz WWWFTLFTNMYCMO-OAHLLOKOSA-N 1 3 336.476 2.987 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040379632 1316230498 /nfs/dbraw/zinc/23/04/98/1316230498.db2.gz LSWABROGBDWDKN-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040379632 1316230499 /nfs/dbraw/zinc/23/04/99/1316230499.db2.gz LSWABROGBDWDKN-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394631 1316241022 /nfs/dbraw/zinc/24/10/22/1316241022.db2.gz KHGZPAGRXJPPIF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394631 1316241025 /nfs/dbraw/zinc/24/10/25/1316241025.db2.gz KHGZPAGRXJPPIF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCC2)C3)C1 ZINC001040397174 1316242787 /nfs/dbraw/zinc/24/27/87/1316242787.db2.gz YETHQXMBRIWHDZ-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCC2)C3)C1 ZINC001040397174 1316242790 /nfs/dbraw/zinc/24/27/90/1316242790.db2.gz YETHQXMBRIWHDZ-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001040421068 1316254599 /nfs/dbraw/zinc/25/45/99/1316254599.db2.gz DKIYSRNLGKDFCC-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001040421068 1316254601 /nfs/dbraw/zinc/25/46/01/1316254601.db2.gz DKIYSRNLGKDFCC-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465505 1316281441 /nfs/dbraw/zinc/28/14/41/1316281441.db2.gz ZFUXFUNWGWIIJV-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465505 1316281443 /nfs/dbraw/zinc/28/14/43/1316281443.db2.gz ZFUXFUNWGWIIJV-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040544793 1316316001 /nfs/dbraw/zinc/31/60/01/1316316001.db2.gz JLQDICMMVHYMAB-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040544793 1316316003 /nfs/dbraw/zinc/31/60/03/1316316003.db2.gz JLQDICMMVHYMAB-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040544850 1316316615 /nfs/dbraw/zinc/31/66/15/1316316615.db2.gz LBQCABSXEZEIGV-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040544850 1316316618 /nfs/dbraw/zinc/31/66/18/1316316618.db2.gz LBQCABSXEZEIGV-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727426 1316361264 /nfs/dbraw/zinc/36/12/64/1316361264.db2.gz QXWOQJNSSRSMRU-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2)[NH+](C)C ZINC001040735134 1316362747 /nfs/dbraw/zinc/36/27/47/1316362747.db2.gz KLMMNPWIWALJNF-RDTXFTJFSA-N 1 3 341.927 2.640 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2)[NH+](C)C ZINC001040735133 1316362789 /nfs/dbraw/zinc/36/27/89/1316362789.db2.gz KLMMNPWIWALJNF-GEZBDVBVSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001040746085 1316365357 /nfs/dbraw/zinc/36/53/57/1316365357.db2.gz VPQLIQHOQZXZOX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2)N(C)C ZINC001040745928 1316365717 /nfs/dbraw/zinc/36/57/17/1316365717.db2.gz UCYOEAJCOZEPTB-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040835462 1316385315 /nfs/dbraw/zinc/38/53/15/1316385315.db2.gz KBZVGNNHJCTYRP-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(C2)CC[NH+](CCC2CC2)CC3)C1 ZINC001040847128 1316388427 /nfs/dbraw/zinc/38/84/27/1316388427.db2.gz HYJJXVRIZFYJBD-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN4CCC[C@H]4C)C3)CC2)C1 ZINC001040849715 1316388844 /nfs/dbraw/zinc/38/88/44/1316388844.db2.gz UWBVWJZGWRLKLM-JLAWEPINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CCC2)CC3)CC1 ZINC001040894384 1316399825 /nfs/dbraw/zinc/39/98/25/1316399825.db2.gz IUOFYTNBQLPRBK-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948747 1316409416 /nfs/dbraw/zinc/40/94/16/1316409416.db2.gz YUHLKPHQEFGCMZ-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040948691 1316409506 /nfs/dbraw/zinc/40/95/06/1316409506.db2.gz XATZIIWKSKVPFP-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO CC[NH+]1CCC2(CCN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001040947778 1316409579 /nfs/dbraw/zinc/40/95/79/1316409579.db2.gz FNOMXMZJRPPIDF-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCc3ccccc31)C2)N(C)C ZINC001072990952 1316427471 /nfs/dbraw/zinc/42/74/71/1316427471.db2.gz JHQOYLFACUAAMX-OALUTQOASA-N 1 3 341.499 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@H]1CCc3ccccc31)C2)N(C)C ZINC001072990952 1316427473 /nfs/dbraw/zinc/42/74/73/1316427473.db2.gz JHQOYLFACUAAMX-OALUTQOASA-N 1 3 341.499 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)cc1C)C2)N(C)C ZINC001072990920 1316427608 /nfs/dbraw/zinc/42/76/08/1316427608.db2.gz HYUPFSAXUOWJPD-SFHVURJKSA-N 1 3 347.478 2.509 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1C)C2)N(C)C ZINC001072990920 1316427609 /nfs/dbraw/zinc/42/76/09/1316427609.db2.gz HYUPFSAXUOWJPD-SFHVURJKSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)N(C)C ZINC001262565392 1316472508 /nfs/dbraw/zinc/47/25/08/1316472508.db2.gz KEOZMNLVUCCMIT-VXGBXAGGSA-N 1 3 335.275 2.663 20 0 EFADHO CN(C(=O)CCNC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC001262569990 1316472747 /nfs/dbraw/zinc/47/27/47/1316472747.db2.gz KOPSYWLOAIZRLK-GOSISDBHSA-N 1 3 329.488 2.751 20 0 EFADHO CN(C(=O)CCNC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001262569990 1316472752 /nfs/dbraw/zinc/47/27/52/1316472752.db2.gz KOPSYWLOAIZRLK-GOSISDBHSA-N 1 3 329.488 2.751 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001073970509 1316485375 /nfs/dbraw/zinc/48/53/75/1316485375.db2.gz RIJNNYLLJHCMOC-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001073970509 1316485378 /nfs/dbraw/zinc/48/53/78/1316485378.db2.gz RIJNNYLLJHCMOC-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074072945 1316496718 /nfs/dbraw/zinc/49/67/18/1316496718.db2.gz CMXWWMOQENPZDI-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074072945 1316496720 /nfs/dbraw/zinc/49/67/20/1316496720.db2.gz CMXWWMOQENPZDI-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285278 1316502546 /nfs/dbraw/zinc/50/25/46/1316502546.db2.gz CNMHHBLVVRHYKQ-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285278 1316502550 /nfs/dbraw/zinc/50/25/50/1316502550.db2.gz CNMHHBLVVRHYKQ-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001041288514 1316504501 /nfs/dbraw/zinc/50/45/01/1316504501.db2.gz XJHHSTYLZGYCDB-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001041288514 1316504504 /nfs/dbraw/zinc/50/45/04/1316504504.db2.gz XJHHSTYLZGYCDB-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565106 1316525213 /nfs/dbraw/zinc/52/52/13/1316525213.db2.gz TVYAJMMMZMKTLT-RYQLBKOJSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564749 1316525482 /nfs/dbraw/zinc/52/54/82/1316525482.db2.gz AHVXKJXNBQHJCX-SZMVWBNQSA-N 1 3 333.520 2.630 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CCC1 ZINC001041356668 1316526131 /nfs/dbraw/zinc/52/61/31/1316526131.db2.gz ASMAXVLLWKBGAS-OAQYLSRUSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CCC1 ZINC001041356668 1316526135 /nfs/dbraw/zinc/52/61/35/1316526135.db2.gz ASMAXVLLWKBGAS-OAQYLSRUSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CCC1 ZINC001041357447 1316526227 /nfs/dbraw/zinc/52/62/27/1316526227.db2.gz HXKGJCVWBKAKAC-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CCC1 ZINC001041357447 1316526229 /nfs/dbraw/zinc/52/62/29/1316526229.db2.gz HXKGJCVWBKAKAC-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001041356622 1316526472 /nfs/dbraw/zinc/52/64/72/1316526472.db2.gz ZXOYYAMJVQNTJR-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001041356622 1316526477 /nfs/dbraw/zinc/52/64/77/1316526477.db2.gz ZXOYYAMJVQNTJR-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360624 1316528173 /nfs/dbraw/zinc/52/81/73/1316528173.db2.gz ZIYAAFKMFXNZNS-YLJYHZDGSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360624 1316528176 /nfs/dbraw/zinc/52/81/76/1316528176.db2.gz ZIYAAFKMFXNZNS-YLJYHZDGSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCN1C(=O)CN(C)C1CCC1 ZINC001074687758 1316530081 /nfs/dbraw/zinc/53/00/81/1316530081.db2.gz HHXNBTQMMKOKRD-YSSFQJQWSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@@H]2C)C1 ZINC001074878483 1316539017 /nfs/dbraw/zinc/53/90/17/1316539017.db2.gz ZGAPWEIUKGOVTE-MPGHIAIKSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041404340 1316541238 /nfs/dbraw/zinc/54/12/38/1316541238.db2.gz SKXNEDNLHRHVMN-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041404340 1316541240 /nfs/dbraw/zinc/54/12/40/1316541240.db2.gz SKXNEDNLHRHVMN-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041403002 1316541261 /nfs/dbraw/zinc/54/12/61/1316541261.db2.gz MGTCYAKIZBHRKN-IEBWSBKVSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041403002 1316541263 /nfs/dbraw/zinc/54/12/63/1316541263.db2.gz MGTCYAKIZBHRKN-IEBWSBKVSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041403309 1316541368 /nfs/dbraw/zinc/54/13/68/1316541368.db2.gz OTKMLHPXXGUULY-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041403309 1316541371 /nfs/dbraw/zinc/54/13/71/1316541371.db2.gz OTKMLHPXXGUULY-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041403311 1316541573 /nfs/dbraw/zinc/54/15/73/1316541573.db2.gz OTKMLHPXXGUULY-YLJYHZDGSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041403311 1316541574 /nfs/dbraw/zinc/54/15/74/1316541574.db2.gz OTKMLHPXXGUULY-YLJYHZDGSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041645560 1316632895 /nfs/dbraw/zinc/63/28/95/1316632895.db2.gz LJNMVIOKCGDSCD-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041645560 1316632896 /nfs/dbraw/zinc/63/28/96/1316632896.db2.gz LJNMVIOKCGDSCD-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674799 1316644630 /nfs/dbraw/zinc/64/46/30/1316644630.db2.gz KXOMKGVMCPOUOB-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674799 1316644633 /nfs/dbraw/zinc/64/46/33/1316644633.db2.gz KXOMKGVMCPOUOB-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674797 1316644758 /nfs/dbraw/zinc/64/47/58/1316644758.db2.gz KXOMKGVMCPOUOB-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674797 1316644760 /nfs/dbraw/zinc/64/47/60/1316644760.db2.gz KXOMKGVMCPOUOB-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001041676480 1316645294 /nfs/dbraw/zinc/64/52/94/1316645294.db2.gz XQKUJRGGPDCDEP-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001041676480 1316645296 /nfs/dbraw/zinc/64/52/96/1316645296.db2.gz XQKUJRGGPDCDEP-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001041676804 1316645414 /nfs/dbraw/zinc/64/54/14/1316645414.db2.gz ZSBGNTWWJQDHSI-WIYYLYMNSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001041676804 1316645417 /nfs/dbraw/zinc/64/54/17/1316645417.db2.gz ZSBGNTWWJQDHSI-WIYYLYMNSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678622 1316646225 /nfs/dbraw/zinc/64/62/25/1316646225.db2.gz JEKPPUKUJDCZCF-LPHOPBHVSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678622 1316646228 /nfs/dbraw/zinc/64/62/28/1316646228.db2.gz JEKPPUKUJDCZCF-LPHOPBHVSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678623 1316646527 /nfs/dbraw/zinc/64/65/27/1316646527.db2.gz JEKPPUKUJDCZCF-QFBILLFUSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678623 1316646529 /nfs/dbraw/zinc/64/65/29/1316646529.db2.gz JEKPPUKUJDCZCF-QFBILLFUSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712286 1316657903 /nfs/dbraw/zinc/65/79/03/1316657903.db2.gz MQBJVTUOXUNLGF-JXFKEZNVSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712286 1316657905 /nfs/dbraw/zinc/65/79/05/1316657905.db2.gz MQBJVTUOXUNLGF-JXFKEZNVSA-N 1 3 338.455 2.638 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041723218 1316665481 /nfs/dbraw/zinc/66/54/81/1316665481.db2.gz FLDIWXRPOHPIIH-UYAOXDASSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041723218 1316665483 /nfs/dbraw/zinc/66/54/83/1316665483.db2.gz FLDIWXRPOHPIIH-UYAOXDASSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041723601 1316666195 /nfs/dbraw/zinc/66/61/95/1316666195.db2.gz JUFRBCDFXLFBQU-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041723601 1316666198 /nfs/dbraw/zinc/66/61/98/1316666198.db2.gz JUFRBCDFXLFBQU-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001265060021 1316706154 /nfs/dbraw/zinc/70/61/54/1316706154.db2.gz TTXXIHVJAIBYMJ-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001265060021 1316706157 /nfs/dbraw/zinc/70/61/57/1316706157.db2.gz TTXXIHVJAIBYMJ-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845357 1316731240 /nfs/dbraw/zinc/73/12/40/1316731240.db2.gz XDIQKCOCUAUXMA-OAQYLSRUSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845357 1316731244 /nfs/dbraw/zinc/73/12/44/1316731244.db2.gz XDIQKCOCUAUXMA-OAQYLSRUSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041845707 1316732305 /nfs/dbraw/zinc/73/23/05/1316732305.db2.gz OGQMFJIVQRNVFI-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001041845707 1316732306 /nfs/dbraw/zinc/73/23/06/1316732306.db2.gz OGQMFJIVQRNVFI-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2C1 ZINC001042132431 1316899683 /nfs/dbraw/zinc/89/96/83/1316899683.db2.gz CRAIHRIWYWRAGO-GQIJTAEASA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@H+](C/C=C/Cl)[C@@H]2C1 ZINC001042132431 1316899685 /nfs/dbraw/zinc/89/96/85/1316899685.db2.gz CRAIHRIWYWRAGO-GQIJTAEASA-N 1 3 344.846 2.623 20 0 EFADHO CC(C)=CCN1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136867 1316902778 /nfs/dbraw/zinc/90/27/78/1316902778.db2.gz XYASCORAVQGNSZ-ZWKOTPCHSA-N 1 3 331.504 2.504 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCC1 ZINC001042186565 1316940083 /nfs/dbraw/zinc/94/00/83/1316940083.db2.gz IDQBISYQHAWISJ-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCC1 ZINC001042186565 1316940085 /nfs/dbraw/zinc/94/00/85/1316940085.db2.gz IDQBISYQHAWISJ-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)N1CCCC1 ZINC001042186438 1316940239 /nfs/dbraw/zinc/94/02/39/1316940239.db2.gz HHILHSKCHOJQCV-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)N1CCCC1 ZINC001042186438 1316940242 /nfs/dbraw/zinc/94/02/42/1316940242.db2.gz HHILHSKCHOJQCV-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001491579473 1323721501 /nfs/dbraw/zinc/72/15/01/1323721501.db2.gz LQFHXKUHFIELRM-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCc1ccccc1 ZINC001491681666 1323786534 /nfs/dbraw/zinc/78/65/34/1323786534.db2.gz FSRORXHIMYYRPB-QGZVFWFLSA-N 1 3 339.483 2.699 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2CC)C1 ZINC001491849111 1323945083 /nfs/dbraw/zinc/94/50/83/1323945083.db2.gz DKLBNOBDTCQTCX-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001491891357 1324001084 /nfs/dbraw/zinc/00/10/84/1324001084.db2.gz JJXONHKXIPOOTF-RBUKOAKNSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001492113712 1324217867 /nfs/dbraw/zinc/21/78/67/1324217867.db2.gz AMJYHFCLLPKMQK-MRXNPFEDSA-N 1 3 342.487 2.870 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001492084554 1324244903 /nfs/dbraw/zinc/24/49/03/1324244903.db2.gz BDJUPUCEFMUYBJ-QGZVFWFLSA-N 1 3 333.520 2.957 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)C1 ZINC001316949504 1325407104 /nfs/dbraw/zinc/40/71/04/1325407104.db2.gz UBVBDIGLOLSODV-MSOLQXFVSA-N 1 3 341.515 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)C1 ZINC001316949504 1325407109 /nfs/dbraw/zinc/40/71/09/1325407109.db2.gz UBVBDIGLOLSODV-MSOLQXFVSA-N 1 3 341.515 2.829 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001374321631 1341720450 /nfs/dbraw/zinc/72/04/50/1341720450.db2.gz PUTBDDDNNADYJL-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCNC(=O)c1ccccc1C(F)(F)F ZINC001326039720 1329730976 /nfs/dbraw/zinc/73/09/76/1329730976.db2.gz SYWCGUDAWZFXNJ-IUODEOHRSA-N 1 3 343.393 2.542 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001326039720 1329730978 /nfs/dbraw/zinc/73/09/78/1329730978.db2.gz SYWCGUDAWZFXNJ-IUODEOHRSA-N 1 3 343.393 2.542 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNC(=O)c1ccccc1C(F)(F)F ZINC001326039724 1329730999 /nfs/dbraw/zinc/73/09/99/1329730999.db2.gz SYWCGUDAWZFXNJ-WFASDCNBSA-N 1 3 343.393 2.542 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001326039724 1329731001 /nfs/dbraw/zinc/73/10/01/1329731001.db2.gz SYWCGUDAWZFXNJ-WFASDCNBSA-N 1 3 343.393 2.542 20 0 EFADHO CN(C(=O)NCCCCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001326059976 1329731671 /nfs/dbraw/zinc/73/16/71/1329731671.db2.gz GWIIHNQBDSYQQQ-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCCCCCC[NH3+])CC1 ZINC001326059686 1329731856 /nfs/dbraw/zinc/73/18/56/1329731856.db2.gz FSCVOYHXVWFLJD-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH3+] ZINC001332507080 1330978512 /nfs/dbraw/zinc/97/85/12/1330978512.db2.gz KRZYJPCFCZLISO-UHFFFAOYSA-N 1 3 337.423 2.883 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001333731491 1331203847 /nfs/dbraw/zinc/20/38/47/1331203847.db2.gz CATKBSWALXFODI-RTBURBONSA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001333731491 1331203852 /nfs/dbraw/zinc/20/38/52/1331203852.db2.gz CATKBSWALXFODI-RTBURBONSA-N 1 3 344.503 2.673 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC001334174155 1331259928 /nfs/dbraw/zinc/25/99/28/1331259928.db2.gz VCVJWYMTMFHYCY-CRAIPNDOSA-N 1 3 334.508 2.524 20 0 EFADHO C[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CN(C)C ZINC001338473789 1331709970 /nfs/dbraw/zinc/70/99/70/1331709970.db2.gz KCRSNFBXNYHVMC-LBPRGKRZSA-N 1 3 342.281 2.565 20 0 EFADHO C[C@@H](CNCCC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC001338473789 1331709971 /nfs/dbraw/zinc/70/99/71/1331709971.db2.gz KCRSNFBXNYHVMC-LBPRGKRZSA-N 1 3 342.281 2.565 20 0 EFADHO Cc1sc(CC[NH2+]C[C@@H](O)CN2CCCC2)nc1-c1ccccc1 ZINC001338492947 1331711799 /nfs/dbraw/zinc/71/17/99/1331711799.db2.gz XIBWUZNFHRRQIP-QGZVFWFLSA-N 1 3 345.512 2.707 20 0 EFADHO [NH3+]CCCSCCC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001340166800 1332147388 /nfs/dbraw/zinc/14/73/88/1332147388.db2.gz DTHYFAXMMZUBLW-GOSISDBHSA-N 1 3 349.544 2.802 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001341661095 1332274627 /nfs/dbraw/zinc/27/46/27/1332274627.db2.gz CAINABJODRAVJG-INIZCTEOSA-N 1 3 345.487 2.553 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001341661095 1332274633 /nfs/dbraw/zinc/27/46/33/1332274633.db2.gz CAINABJODRAVJG-INIZCTEOSA-N 1 3 345.487 2.553 20 0 EFADHO C[C@@H]1C(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC001345108463 1332509613 /nfs/dbraw/zinc/50/96/13/1332509613.db2.gz LDNJPVIGQRTRDG-UVBQOVKKSA-N 1 3 341.499 2.826 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC001479888463 1332764958 /nfs/dbraw/zinc/76/49/58/1332764958.db2.gz GUXIAJIOBQRXHJ-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(C[C@H](F)CC)CC2)C1 ZINC001001750652 1333438145 /nfs/dbraw/zinc/43/81/45/1333438145.db2.gz DPCRGXCNWHVKER-QZTJIDSGSA-N 1 3 341.515 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CCN(C[C@H](F)CC)CC2)C1 ZINC001001750652 1333438148 /nfs/dbraw/zinc/43/81/48/1333438148.db2.gz DPCRGXCNWHVKER-QZTJIDSGSA-N 1 3 341.515 2.685 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001910462 1333715074 /nfs/dbraw/zinc/71/50/74/1333715074.db2.gz CBHCNDZETPUXMH-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001910461 1333715137 /nfs/dbraw/zinc/71/51/37/1333715137.db2.gz CBHCNDZETPUXMH-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001001912674 1333721152 /nfs/dbraw/zinc/72/11/52/1333721152.db2.gz YCKBJNOKCHYORF-MPNRVQBSSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001001912674 1333721155 /nfs/dbraw/zinc/72/11/55/1333721155.db2.gz YCKBJNOKCHYORF-MPNRVQBSSA-N 1 3 341.927 2.830 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943209 1333788571 /nfs/dbraw/zinc/78/85/71/1333788571.db2.gz PQLLUOAJUUNXTG-IBGZPJMESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)N(C)C ZINC001353287405 1334066750 /nfs/dbraw/zinc/06/67/50/1334066750.db2.gz LWPXPQBGNAUUCZ-IAQYHMDHSA-N 1 3 347.272 2.726 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001200645007 1334262562 /nfs/dbraw/zinc/26/25/62/1334262562.db2.gz WTUHVWGNSFNFOE-LNKCYATRSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001200645007 1334262565 /nfs/dbraw/zinc/26/25/65/1334262565.db2.gz WTUHVWGNSFNFOE-LNKCYATRSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CCCC2CCC2)C1)N1CCCC1 ZINC001100562504 1334293078 /nfs/dbraw/zinc/29/30/78/1334293078.db2.gz PJKHURSYCSJVKV-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@@H](C(=O)NCC1CC(NCc2ccccc2F)C1)[NH+](CC)CC ZINC001100669502 1334533816 /nfs/dbraw/zinc/53/38/16/1334533816.db2.gz ZXFJKLVYLFPXNL-KVWWFHCMSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001100674146 1334546272 /nfs/dbraw/zinc/54/62/72/1334546272.db2.gz OMMGPXNDOPCNDI-ZJRDLVKKSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001100674145 1334546405 /nfs/dbraw/zinc/54/64/05/1334546405.db2.gz OMMGPXNDOPCNDI-PGYGNJIDSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001100675880 1334549299 /nfs/dbraw/zinc/54/92/99/1334549299.db2.gz BKNYXQSMJWIMTA-KLHKWILBSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100676033 1334550103 /nfs/dbraw/zinc/55/01/03/1334550103.db2.gz HRCZTLKBSLTXPC-IPJUCJBFSA-N 1 3 333.520 2.846 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100676799 1334552116 /nfs/dbraw/zinc/55/21/16/1334552116.db2.gz SNDOCMVMQZSBJA-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001100676991 1334552684 /nfs/dbraw/zinc/55/26/84/1334552684.db2.gz VQSASUVVEZMFRN-PBPGXSGUSA-N 1 3 343.515 2.718 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100677190 1334553729 /nfs/dbraw/zinc/55/37/29/1334553729.db2.gz ZTVYBTLCEOMNTH-ZRZPHAQCSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678203 1334556256 /nfs/dbraw/zinc/55/62/56/1334556256.db2.gz CMIQJFIQBONQCJ-VNCLNFNDSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678202 1334556374 /nfs/dbraw/zinc/55/63/74/1334556374.db2.gz CMIQJFIQBONQCJ-MNNVXMFVSA-N 1 3 343.515 2.630 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001100680939 1334562644 /nfs/dbraw/zinc/56/26/44/1334562644.db2.gz NFPMREXBJMLYDW-UHFFFAOYSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001100683819 1334569474 /nfs/dbraw/zinc/56/94/74/1334569474.db2.gz TYHTZXXWQPMBJX-MHJFOBGBSA-N 1 3 345.531 2.752 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001100683864 1334569903 /nfs/dbraw/zinc/56/99/03/1334569903.db2.gz VZVLFVCMHDUCKJ-KVZIAJEVSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001100683844 1334569976 /nfs/dbraw/zinc/56/99/76/1334569976.db2.gz UYVNSONAOWIHDJ-KVZIAJEVSA-N 1 3 331.504 2.628 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001100684274 1334570937 /nfs/dbraw/zinc/57/09/37/1334570937.db2.gz AJOOWTGSVMCROT-ACBHZAAOSA-N 1 3 331.504 2.574 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001100685008 1334572751 /nfs/dbraw/zinc/57/27/51/1334572751.db2.gz WFPZCQBDBDAYIR-GQOXECLESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001100731005 1334689656 /nfs/dbraw/zinc/68/96/56/1334689656.db2.gz XRLNYDKLKWJGCN-KKXNLOMOSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H](C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1)N1CCCCCC1 ZINC001100732208 1334691392 /nfs/dbraw/zinc/69/13/92/1334691392.db2.gz YABOPNQKILFQGW-NFOMZHRRSA-N 1 3 349.441 2.688 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2CC(NCc3ccccc3F)C2)CC1 ZINC001100732102 1334691483 /nfs/dbraw/zinc/69/14/83/1334691483.db2.gz UCKSOBBLJRUDRI-UHFFFAOYSA-N 1 3 347.478 2.542 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](CC(C)(C)C)CC3=O)C[C@@H]2C1 ZINC001356057908 1334943464 /nfs/dbraw/zinc/94/34/64/1334943464.db2.gz VLOUBEXGDYSNTN-XWTMOSNGSA-N 1 3 335.536 2.891 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1 ZINC000848998157 1335032255 /nfs/dbraw/zinc/03/22/55/1335032255.db2.gz ZGBQMFPLMDUUGX-JKSUJKDBSA-N 1 3 332.492 2.615 20 0 EFADHO COc1ccccc1CNC(=[NH2+])NCC1(N(C)C)CCCCCC1 ZINC000849053571 1335059678 /nfs/dbraw/zinc/05/96/78/1335059678.db2.gz AAYLQNIUZFAPDO-UHFFFAOYSA-N 1 3 332.492 2.964 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc2ccccc2c1 ZINC000849055521 1335060987 /nfs/dbraw/zinc/06/09/87/1335060987.db2.gz HEHTUEOWEMQFBI-GOSISDBHSA-N 1 3 340.471 2.817 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(C)(C)C)cc1 ZINC000849056662 1335061627 /nfs/dbraw/zinc/06/16/27/1335061627.db2.gz YKUZJTDJMJTLMP-KRWDZBQOSA-N 1 3 346.519 2.961 20 0 EFADHO CC(C)COCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849056465 1335061658 /nfs/dbraw/zinc/06/16/58/1335061658.db2.gz SHIMANVZHYHHEC-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)c(OC)c1 ZINC000849060550 1335064148 /nfs/dbraw/zinc/06/41/48/1335064148.db2.gz DWSJWCBGFZYBRW-INIZCTEOSA-N 1 3 348.491 2.581 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(Cl)ccc12 ZINC000849066829 1335066748 /nfs/dbraw/zinc/06/67/48/1335066748.db2.gz SFDKXFFQNFVZNY-OAHLLOKOSA-N 1 3 347.894 2.962 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(C)C)cc1 ZINC000849071296 1335068858 /nfs/dbraw/zinc/06/88/58/1335068858.db2.gz DZTSJTAZRGBSDX-KRWDZBQOSA-N 1 3 332.492 2.787 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc2c(s1)CCCC2 ZINC000849072756 1335069238 /nfs/dbraw/zinc/06/92/38/1335069238.db2.gz DHVNHYIXKKWXBN-CQSZACIVSA-N 1 3 349.548 2.553 20 0 EFADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000849073447 1335069354 /nfs/dbraw/zinc/06/93/54/1335069354.db2.gz CTINPJIRMPBEKR-JCGIZDLHSA-N 1 3 330.476 3.000 20 0 EFADHO CC(C)OCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849079199 1335071098 /nfs/dbraw/zinc/07/10/98/1335071098.db2.gz XRKCGBATEWTAPE-UHFFFAOYSA-N 1 3 346.519 2.970 20 0 EFADHO COCCC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849084036 1335072092 /nfs/dbraw/zinc/07/20/92/1335072092.db2.gz URGSXGWPWSRPON-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO CO[C@](C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000849085151 1335072973 /nfs/dbraw/zinc/07/29/73/1335072973.db2.gz AXRYTPJRGWZVGM-HXUWFJFHSA-N 1 3 344.503 2.580 20 0 EFADHO COc1ccc(NC(=[NH2+])NCC(C)(C)N2CCC(OC)CC2)cc1 ZINC000849102011 1335551938 /nfs/dbraw/zinc/55/19/38/1335551938.db2.gz KCRPCUWHLVMVQZ-UHFFFAOYSA-N 1 3 334.464 2.521 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000849106859 1335552806 /nfs/dbraw/zinc/55/28/06/1335552806.db2.gz OKIJXLPNQDXJAR-MGPQQGTHSA-N 1 3 334.430 2.953 20 0 EFADHO CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@H]2CCCN2CC)c1 ZINC000849106073 1335553205 /nfs/dbraw/zinc/55/32/05/1335553205.db2.gz RSOAZQGBCJPFRQ-BPQIPLTHSA-N 1 3 330.476 2.539 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C)[NH+](C)C ZINC001361413945 1336062768 /nfs/dbraw/zinc/06/27/68/1336062768.db2.gz CIENPQXYNZPFTJ-NEWSRXKRSA-N 1 3 331.504 2.975 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001361518854 1336142144 /nfs/dbraw/zinc/14/21/44/1336142144.db2.gz AWJHONOXWMPUIE-UXHICEINSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001361518854 1336142147 /nfs/dbraw/zinc/14/21/47/1336142147.db2.gz AWJHONOXWMPUIE-UXHICEINSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001361648546 1336244942 /nfs/dbraw/zinc/24/49/42/1336244942.db2.gz ZZWZGULLFGOBTF-RTBURBONSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001361964744 1336442117 /nfs/dbraw/zinc/44/21/17/1336442117.db2.gz AGUNBGYUBSFZLC-HKUYNNGSSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001361964744 1336442119 /nfs/dbraw/zinc/44/21/19/1336442119.db2.gz AGUNBGYUBSFZLC-HKUYNNGSSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001361999496 1336456883 /nfs/dbraw/zinc/45/68/83/1336456883.db2.gz AMFSAGVERUNVEM-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001361999496 1336456885 /nfs/dbraw/zinc/45/68/85/1336456885.db2.gz AMFSAGVERUNVEM-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001362698678 1336708793 /nfs/dbraw/zinc/70/87/93/1336708793.db2.gz XDWAXVMEHPOZGS-WCIQWLHISA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001362698678 1336708794 /nfs/dbraw/zinc/70/87/94/1336708794.db2.gz XDWAXVMEHPOZGS-WCIQWLHISA-N 1 3 343.515 2.744 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001362804807 1336749046 /nfs/dbraw/zinc/74/90/46/1336749046.db2.gz MJWQSGFZQLSEJT-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001363182593 1336821121 /nfs/dbraw/zinc/82/11/21/1336821121.db2.gz DVHVYMDACNGCDA-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001363182593 1336821123 /nfs/dbraw/zinc/82/11/23/1336821123.db2.gz DVHVYMDACNGCDA-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC001363364172 1336894236 /nfs/dbraw/zinc/89/42/36/1336894236.db2.gz ONQMWEFNDHRTBB-VQTJNVASSA-N 1 3 332.488 2.943 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502224 1336905984 /nfs/dbraw/zinc/90/59/84/1336905984.db2.gz FOSBBZHFUZCZBN-MJGOQNOKSA-N 1 3 345.531 2.849 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502224 1336905985 /nfs/dbraw/zinc/90/59/85/1336905985.db2.gz FOSBBZHFUZCZBN-MJGOQNOKSA-N 1 3 345.531 2.849 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001363758105 1337027847 /nfs/dbraw/zinc/02/78/47/1337027847.db2.gz WOVXJHDIKHOVKA-RTBURBONSA-N 1 3 329.488 2.710 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001363758105 1337027850 /nfs/dbraw/zinc/02/78/50/1337027850.db2.gz WOVXJHDIKHOVKA-RTBURBONSA-N 1 3 329.488 2.710 20 0 EFADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001363803393 1337058296 /nfs/dbraw/zinc/05/82/96/1337058296.db2.gz CRCBLLVJIMRAET-SFHVURJKSA-N 1 3 340.458 2.920 20 0 EFADHO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001364422805 1337186648 /nfs/dbraw/zinc/18/66/48/1337186648.db2.gz LXVDHYHNUYZPFX-KPFFTGBYSA-N 1 3 331.504 2.964 20 0 EFADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CC2(O)CCSCC2)CC1 ZINC001364484488 1337189029 /nfs/dbraw/zinc/18/90/29/1337189029.db2.gz FEHKKGQELUCENW-KRWDZBQOSA-N 1 3 326.550 2.831 20 0 EFADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CC2(O)CCSCC2)CC1 ZINC001364484488 1337189030 /nfs/dbraw/zinc/18/90/30/1337189030.db2.gz FEHKKGQELUCENW-KRWDZBQOSA-N 1 3 326.550 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001365999339 1337312665 /nfs/dbraw/zinc/31/26/65/1337312665.db2.gz NUTJCTYNQDJVFC-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001365999339 1337312669 /nfs/dbraw/zinc/31/26/69/1337312669.db2.gz NUTJCTYNQDJVFC-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](Cc1csc(C)c1)CC2)N(C)C ZINC001366014429 1337323826 /nfs/dbraw/zinc/32/38/26/1337323826.db2.gz HPGHPPVENUVSOH-IRXDYDNUSA-N 1 3 349.544 2.867 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)C1CCC1 ZINC001366114402 1337384585 /nfs/dbraw/zinc/38/45/85/1337384585.db2.gz BZESBHIXQXWPSZ-NJSLBKSFSA-N 1 3 345.462 2.534 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1)N(C)C ZINC001366116274 1337386073 /nfs/dbraw/zinc/38/60/73/1337386073.db2.gz HDGLVIYFIAJIMY-XLAORIBOSA-N 1 3 335.467 2.854 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001366125315 1337389601 /nfs/dbraw/zinc/38/96/01/1337389601.db2.gz RYKUWQXPJZZJIX-GPMSIDNRSA-N 1 3 343.471 2.756 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001366203963 1337440918 /nfs/dbraw/zinc/44/09/18/1337440918.db2.gz UXWFKXIAIACIAY-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC001366207384 1337443446 /nfs/dbraw/zinc/44/34/46/1337443446.db2.gz OLNHMZGRJHXRAH-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001366224670 1337456857 /nfs/dbraw/zinc/45/68/57/1337456857.db2.gz HVFTYDLDNFMSLH-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001366248864 1337475803 /nfs/dbraw/zinc/47/58/03/1337475803.db2.gz QCFCEXGPRKFYFA-JXQTWKCFSA-N 1 3 337.430 2.542 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001366320582 1337510378 /nfs/dbraw/zinc/51/03/78/1337510378.db2.gz FNVHIFVMKSRFAP-NVXWUHKLSA-N 1 3 325.541 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001366463358 1337607114 /nfs/dbraw/zinc/60/71/14/1337607114.db2.gz LADFMPZCOCAFOQ-DYVFJYSZSA-N 1 3 341.446 2.535 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001366510454 1337651261 /nfs/dbraw/zinc/65/12/61/1337651261.db2.gz OJHZESXOLZFSPO-SWLSCSKDSA-N 1 3 345.940 2.972 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001366494884 1337635974 /nfs/dbraw/zinc/63/59/74/1337635974.db2.gz BVQLVQOGRMRLKB-YVEFUNNKSA-N 1 3 344.434 2.572 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366538413 1337673825 /nfs/dbraw/zinc/67/38/25/1337673825.db2.gz WFSBLEANVPEFDM-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366538413 1337673829 /nfs/dbraw/zinc/67/38/29/1337673829.db2.gz WFSBLEANVPEFDM-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1cccc(Cl)c1 ZINC001366620268 1337760779 /nfs/dbraw/zinc/76/07/79/1337760779.db2.gz PUCMKOIOARFADV-UHFFFAOYSA-N 1 3 349.906 2.907 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1)N(C)C ZINC001366707158 1337901230 /nfs/dbraw/zinc/90/12/30/1337901230.db2.gz YZFAAZMOOFCIAW-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1)N(C)C ZINC001366707158 1337901234 /nfs/dbraw/zinc/90/12/34/1337901234.db2.gz YZFAAZMOOFCIAW-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1csc(C)c1 ZINC001366722013 1337922827 /nfs/dbraw/zinc/92/28/27/1337922827.db2.gz VZOCJAXZOGGEPY-OAHLLOKOSA-N 1 3 337.533 2.727 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1csc(C)c1 ZINC001366722013 1337922833 /nfs/dbraw/zinc/92/28/33/1337922833.db2.gz VZOCJAXZOGGEPY-OAHLLOKOSA-N 1 3 337.533 2.727 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001366757008 1337975293 /nfs/dbraw/zinc/97/52/93/1337975293.db2.gz LVWXEDQHAPHPAX-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001366757008 1337975295 /nfs/dbraw/zinc/97/52/95/1337975295.db2.gz LVWXEDQHAPHPAX-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001366771874 1337990765 /nfs/dbraw/zinc/99/07/65/1337990765.db2.gz XZBFIJQZWFAWLV-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001366771874 1337990770 /nfs/dbraw/zinc/99/07/70/1337990770.db2.gz XZBFIJQZWFAWLV-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366786230 1338004201 /nfs/dbraw/zinc/00/42/01/1338004201.db2.gz ASULGMBSDCDCEJ-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001366847607 1338111812 /nfs/dbraw/zinc/11/18/12/1338111812.db2.gz ARTNNFWYJWKQTB-QUCCMNQESA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001366847607 1338111815 /nfs/dbraw/zinc/11/18/15/1338111815.db2.gz ARTNNFWYJWKQTB-QUCCMNQESA-N 1 3 345.531 2.917 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](CCCF)C2)c1 ZINC001366850524 1338115878 /nfs/dbraw/zinc/11/58/78/1338115878.db2.gz DQHYGXBFIQNXEF-INIZCTEOSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](CCCF)C2)c1 ZINC001366850524 1338115880 /nfs/dbraw/zinc/11/58/80/1338115880.db2.gz DQHYGXBFIQNXEF-INIZCTEOSA-N 1 3 335.467 2.550 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC001366902130 1338187023 /nfs/dbraw/zinc/18/70/23/1338187023.db2.gz RAOSTKCPHUEZSJ-KRWDZBQOSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001366980259 1338237824 /nfs/dbraw/zinc/23/78/24/1338237824.db2.gz UVYMEMFHTBHXJU-GOSISDBHSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC1C[NH+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001366980983 1338238759 /nfs/dbraw/zinc/23/87/59/1338238759.db2.gz GOGAYYIPFBRRNJ-IBGZPJMESA-N 1 3 331.504 2.500 20 0 EFADHO CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001366989098 1338246793 /nfs/dbraw/zinc/24/67/93/1338246793.db2.gz WUBPFLBTJXMZMV-LPHOPBHVSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001367043398 1338306393 /nfs/dbraw/zinc/30/63/93/1338306393.db2.gz GMISQKVAFLZQMW-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001367043398 1338306394 /nfs/dbraw/zinc/30/63/94/1338306394.db2.gz GMISQKVAFLZQMW-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001367065465 1338338691 /nfs/dbraw/zinc/33/86/91/1338338691.db2.gz QPQXOLYQQQNPDF-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001367065465 1338338699 /nfs/dbraw/zinc/33/86/99/1338338699.db2.gz QPQXOLYQQQNPDF-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001367097276 1338382500 /nfs/dbraw/zinc/38/25/00/1338382500.db2.gz HIOCJIDNWPUIIZ-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCc2c1cccc2F ZINC001367133146 1338424228 /nfs/dbraw/zinc/42/42/28/1338424228.db2.gz NXZDXWFTEZSCEH-KBXCAEBGSA-N 1 3 335.467 2.639 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F)CC(C)(C)C ZINC001367219281 1338528875 /nfs/dbraw/zinc/52/88/75/1338528875.db2.gz BHBHELZFYVQVAG-QGZVFWFLSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001367219052 1338528966 /nfs/dbraw/zinc/52/89/66/1338528966.db2.gz PHNLHLOXNSIGSL-SFHVURJKSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccccc1 ZINC001367242278 1338546215 /nfs/dbraw/zinc/54/62/15/1338546215.db2.gz ILSMJAXYIPWNRQ-KRWDZBQOSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001367243853 1338546737 /nfs/dbraw/zinc/54/67/37/1338546737.db2.gz PFBXMYKVHZENBB-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001367244080 1338547279 /nfs/dbraw/zinc/54/72/79/1338547279.db2.gz PXZJDSVMLZZUOF-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001367260575 1338560500 /nfs/dbraw/zinc/56/05/00/1338560500.db2.gz MBEPJZQJSWEBST-BEFAXECRSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001367267045 1338565633 /nfs/dbraw/zinc/56/56/33/1338565633.db2.gz AACSKDAXGSTYPG-DNVCBOLYSA-N 1 3 345.487 2.861 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367275243 1338575154 /nfs/dbraw/zinc/57/51/54/1338575154.db2.gz JUQCDAZPRRFOBO-PKOBYXMFSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367354871 1338651508 /nfs/dbraw/zinc/65/15/08/1338651508.db2.gz DETRTFVTTNHSDJ-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(C(F)F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001367365284 1338660995 /nfs/dbraw/zinc/66/09/95/1338660995.db2.gz YIZSGQAURYPGIT-XJKSGUPXSA-N 1 3 339.430 2.655 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001367392876 1338688972 /nfs/dbraw/zinc/68/89/72/1338688972.db2.gz DBTKWCNQJNVLTO-GOSISDBHSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001367393715 1338690311 /nfs/dbraw/zinc/69/03/11/1338690311.db2.gz GVPVQJMYCGZKKO-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001367400914 1338698671 /nfs/dbraw/zinc/69/86/71/1338698671.db2.gz NWFJSDIKGFVDKZ-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001367436438 1338739196 /nfs/dbraw/zinc/73/91/96/1338739196.db2.gz IQZVXHGMDVLWRI-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001367436438 1338739198 /nfs/dbraw/zinc/73/91/98/1338739198.db2.gz IQZVXHGMDVLWRI-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001367437619 1338740110 /nfs/dbraw/zinc/74/01/10/1338740110.db2.gz GGMWPIQKCVFTTN-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC001367439153 1338741977 /nfs/dbraw/zinc/74/19/77/1338741977.db2.gz IWRJECQWKFSDEN-YGQKLEOUSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001367453070 1338755310 /nfs/dbraw/zinc/75/53/10/1338755310.db2.gz QTTRBVQRFZCVJA-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccn1 ZINC001367456355 1338758148 /nfs/dbraw/zinc/75/81/48/1338758148.db2.gz XZEPSQDPJOFDHX-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccn1 ZINC001367456355 1338758150 /nfs/dbraw/zinc/75/81/50/1338758150.db2.gz XZEPSQDPJOFDHX-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccn1 ZINC001367456357 1338758530 /nfs/dbraw/zinc/75/85/30/1338758530.db2.gz XZEPSQDPJOFDHX-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccn1 ZINC001367456357 1338758533 /nfs/dbraw/zinc/75/85/33/1338758533.db2.gz XZEPSQDPJOFDHX-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001367475646 1338775224 /nfs/dbraw/zinc/77/52/24/1338775224.db2.gz UYJCOMMIDHIMHG-WMZOPIPTSA-N 1 3 331.504 2.962 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001367509257 1338807181 /nfs/dbraw/zinc/80/71/81/1338807181.db2.gz FVERLCQCADJHFP-ROUUACIJSA-N 1 3 349.906 2.812 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001367509257 1338807182 /nfs/dbraw/zinc/80/71/82/1338807182.db2.gz FVERLCQCADJHFP-ROUUACIJSA-N 1 3 349.906 2.812 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2F)C(=O)CCC[NH+](C)C ZINC001367530090 1338830997 /nfs/dbraw/zinc/83/09/97/1338830997.db2.gz BSEBNRULCURWTB-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001367532777 1338834808 /nfs/dbraw/zinc/83/48/08/1338834808.db2.gz FSIWXBMDVKUFRM-AEFFLSMTSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001367532777 1338834812 /nfs/dbraw/zinc/83/48/12/1338834812.db2.gz FSIWXBMDVKUFRM-AEFFLSMTSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001367532779 1338835110 /nfs/dbraw/zinc/83/51/10/1338835110.db2.gz FSIWXBMDVKUFRM-SJLPKXTDSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001367532779 1338835114 /nfs/dbraw/zinc/83/51/14/1338835114.db2.gz FSIWXBMDVKUFRM-SJLPKXTDSA-N 1 3 331.504 2.788 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367533607 1338836003 /nfs/dbraw/zinc/83/60/03/1338836003.db2.gz KRUPHSWKPFLHQD-LJQANCHMSA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367533607 1338836008 /nfs/dbraw/zinc/83/60/08/1338836008.db2.gz KRUPHSWKPFLHQD-LJQANCHMSA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001367676941 1338921375 /nfs/dbraw/zinc/92/13/75/1338921375.db2.gz SBATUTSENCKDRV-RDTXWAMCSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367693805 1338933602 /nfs/dbraw/zinc/93/36/02/1338933602.db2.gz VISHINLWTVHEKV-RHSMWYFYSA-N 1 3 339.911 2.829 20 0 EFADHO COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001367694243 1338934804 /nfs/dbraw/zinc/93/48/04/1338934804.db2.gz CYLDTNQTTAJJCK-MRXNPFEDSA-N 1 3 349.519 2.576 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)CC(C)(C)C ZINC001367695927 1338936416 /nfs/dbraw/zinc/93/64/16/1338936416.db2.gz VBXAAXAIHPFMNI-KDOFPFPSSA-N 1 3 349.494 2.885 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001367696039 1338936439 /nfs/dbraw/zinc/93/64/39/1338936439.db2.gz VYXOZXRSRMHPPM-CQSZACIVSA-N 1 3 339.911 2.912 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001367700412 1338939665 /nfs/dbraw/zinc/93/96/65/1338939665.db2.gz XTUYSNNGYUHBFP-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001367739062 1338969004 /nfs/dbraw/zinc/96/90/04/1338969004.db2.gz SDKZWGUDTRMMFG-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001367740405 1338969843 /nfs/dbraw/zinc/96/98/43/1338969843.db2.gz PCWUZKGJJJPJRA-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001367775835 1339000065 /nfs/dbraw/zinc/00/00/65/1339000065.db2.gz IBCIZTGDLNMMFR-HOTGVXAUSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@@H](CN(C)C/C=C\c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367825373 1339040567 /nfs/dbraw/zinc/04/05/67/1339040567.db2.gz UGQBPNNFWFEDHF-SNMSSPIJSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367825322 1339041022 /nfs/dbraw/zinc/04/10/22/1339041022.db2.gz UGQBPNNFWFEDHF-PMQIGOLDSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1CC[NH+](C)CC1 ZINC001367831509 1339046773 /nfs/dbraw/zinc/04/67/73/1339046773.db2.gz IIROEWGQLFCFJL-IFXJQAMLSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001367833364 1339049606 /nfs/dbraw/zinc/04/96/06/1339049606.db2.gz DQFFKVWDGZNUNB-INIZCTEOSA-N 1 3 349.494 2.825 20 0 EFADHO COc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C ZINC001367839519 1339056948 /nfs/dbraw/zinc/05/69/48/1339056948.db2.gz YXVPGDXQALOYLN-VQIMIIECSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC/C=C/c1ccccc1 ZINC001367847957 1339064104 /nfs/dbraw/zinc/06/41/04/1339064104.db2.gz GXWYHBKFPMNXAZ-BPLPYTOXSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC/C=C/c1ccccc1 ZINC001367847957 1339064106 /nfs/dbraw/zinc/06/41/06/1339064106.db2.gz GXWYHBKFPMNXAZ-BPLPYTOXSA-N 1 3 340.471 2.801 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001367849875 1339065699 /nfs/dbraw/zinc/06/56/99/1339065699.db2.gz YMQAEAFILNKJDP-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001367849875 1339065701 /nfs/dbraw/zinc/06/57/01/1339065701.db2.gz YMQAEAFILNKJDP-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](C(=O)NCC1(NCc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC001368031035 1339166175 /nfs/dbraw/zinc/16/61/75/1339166175.db2.gz KQWYEYLOGJLYPB-MRXNPFEDSA-N 1 3 347.478 2.829 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001368155744 1339224073 /nfs/dbraw/zinc/22/40/73/1339224073.db2.gz AEWIGAYKSNEYLQ-UYAOXDASSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368199803 1339250852 /nfs/dbraw/zinc/25/08/52/1339250852.db2.gz UKRWLBZDHVDNPJ-OXQOHEQNSA-N 1 3 340.471 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(CC)c2)C1 ZINC001368330666 1339301436 /nfs/dbraw/zinc/30/14/36/1339301436.db2.gz BAANJZGRLLMJMV-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(CC)cc2)C1 ZINC001368331458 1339301686 /nfs/dbraw/zinc/30/16/86/1339301686.db2.gz BFYDKFBBMUDJQF-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)N(C)C ZINC001368350684 1339311442 /nfs/dbraw/zinc/31/14/42/1339311442.db2.gz UAXZCZAEKIVFHB-FHWLQOOXSA-N 1 3 337.552 2.885 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363607 1339316630 /nfs/dbraw/zinc/31/66/30/1339316630.db2.gz LCLOQKJUCFVWAB-OKYOBFRVSA-N 1 3 337.552 2.645 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363607 1339316633 /nfs/dbraw/zinc/31/66/33/1339316633.db2.gz LCLOQKJUCFVWAB-OKYOBFRVSA-N 1 3 337.552 2.645 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001368499563 1339437215 /nfs/dbraw/zinc/43/72/15/1339437215.db2.gz CXNBZRRKNSMTFM-LULLPPNCSA-N 1 3 343.515 2.882 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001368516893 1339451643 /nfs/dbraw/zinc/45/16/43/1339451643.db2.gz OXBJQEVXFAXFFU-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001368516893 1339451647 /nfs/dbraw/zinc/45/16/47/1339451647.db2.gz OXBJQEVXFAXFFU-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001368517407 1339452806 /nfs/dbraw/zinc/45/28/06/1339452806.db2.gz DZLMANFELBFKFB-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001368517407 1339452810 /nfs/dbraw/zinc/45/28/10/1339452810.db2.gz DZLMANFELBFKFB-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001368517555 1339453171 /nfs/dbraw/zinc/45/31/71/1339453171.db2.gz UJTSVYVSWAUGLZ-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001368517555 1339453173 /nfs/dbraw/zinc/45/31/73/1339453173.db2.gz UJTSVYVSWAUGLZ-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001368527342 1339464658 /nfs/dbraw/zinc/46/46/58/1339464658.db2.gz MOHSOIXJFOCHGM-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001368527342 1339464661 /nfs/dbraw/zinc/46/46/61/1339464661.db2.gz MOHSOIXJFOCHGM-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1cccc(F)c1 ZINC001368590866 1339537426 /nfs/dbraw/zinc/53/74/26/1339537426.db2.gz OCNOPOITAQVLNC-FPXQBCRKSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1)N(C)C ZINC001368617342 1339551476 /nfs/dbraw/zinc/55/14/76/1339551476.db2.gz NONCKWHOUGUFDU-OTWHNJEPSA-N 1 3 331.504 2.565 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1)N(C)C ZINC001368617342 1339551484 /nfs/dbraw/zinc/55/14/84/1339551484.db2.gz NONCKWHOUGUFDU-OTWHNJEPSA-N 1 3 331.504 2.565 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1)N(C)C ZINC001368622690 1339554263 /nfs/dbraw/zinc/55/42/63/1339554263.db2.gz ZMQCQVSLZONJHO-IPMKNSEASA-N 1 3 349.494 2.516 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1)N(C)C ZINC001368622690 1339554269 /nfs/dbraw/zinc/55/42/69/1339554269.db2.gz ZMQCQVSLZONJHO-IPMKNSEASA-N 1 3 349.494 2.516 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2CC)[C@@H](C)C1 ZINC001368665842 1339577549 /nfs/dbraw/zinc/57/75/49/1339577549.db2.gz KCEPAZNZLKBFGL-PXNSSMCTSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1F ZINC001368718259 1339638163 /nfs/dbraw/zinc/63/81/63/1339638163.db2.gz PAKGCPLLCPIJTE-HNNXBMFYSA-N 1 3 335.467 2.603 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1cccs1)C1CCC1 ZINC001368807751 1339744889 /nfs/dbraw/zinc/74/48/89/1339744889.db2.gz ROMMTSJOMRHFNK-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1cccs1)C1CCC1 ZINC001368807751 1339744894 /nfs/dbraw/zinc/74/48/94/1339744894.db2.gz ROMMTSJOMRHFNK-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809938 1339748309 /nfs/dbraw/zinc/74/83/09/1339748309.db2.gz JZBUWIFVFDVTPI-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809938 1339748311 /nfs/dbraw/zinc/74/83/11/1339748311.db2.gz JZBUWIFVFDVTPI-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001368899965 1339840622 /nfs/dbraw/zinc/84/06/22/1339840622.db2.gz GJZVBJNLMHMICY-JXQTWKCFSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001368920318 1339865390 /nfs/dbraw/zinc/86/53/90/1339865390.db2.gz WRXSGXDZXUNCHL-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001368949025 1339896860 /nfs/dbraw/zinc/89/68/60/1339896860.db2.gz APGIRUUFYBQBFP-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001368949025 1339896861 /nfs/dbraw/zinc/89/68/61/1339896861.db2.gz APGIRUUFYBQBFP-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)C[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001370339722 1340044989 /nfs/dbraw/zinc/04/49/89/1340044989.db2.gz PDXMAAODIRFJHR-OKZBNKHCSA-N 1 3 335.536 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001370405322 1340060245 /nfs/dbraw/zinc/06/02/45/1340060245.db2.gz PHAZPZZJWVHNET-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370545940 1340127429 /nfs/dbraw/zinc/12/74/29/1340127429.db2.gz IEAOZJWBEORQFT-LSTDLKDCSA-N 1 3 331.504 2.879 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001370548960 1340128821 /nfs/dbraw/zinc/12/88/21/1340128821.db2.gz QERQIULSQKDGAL-BFYDXBDKSA-N 1 3 329.444 2.510 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)C1 ZINC001370549091 1340129160 /nfs/dbraw/zinc/12/91/60/1340129160.db2.gz SQDQVNYUESNHAW-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccccc1)N(C)C ZINC001370860921 1340241785 /nfs/dbraw/zinc/24/17/85/1340241785.db2.gz XMMJZVGFGZAXKO-UXHICEINSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccccc1)N(C)C ZINC001370860921 1340241787 /nfs/dbraw/zinc/24/17/87/1340241787.db2.gz XMMJZVGFGZAXKO-UXHICEINSA-N 1 3 345.531 2.786 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001370964790 1340309623 /nfs/dbraw/zinc/30/96/23/1340309623.db2.gz BXQVNUIDCVOQPY-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001370964790 1340309625 /nfs/dbraw/zinc/30/96/25/1340309625.db2.gz BXQVNUIDCVOQPY-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001371197748 1340409841 /nfs/dbraw/zinc/40/98/41/1340409841.db2.gz BXRDOKDARCJPNK-CVEARBPZSA-N 1 3 343.515 2.815 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC001371407254 1340565964 /nfs/dbraw/zinc/56/59/64/1340565964.db2.gz KWSRAHJHQDNRRN-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC001371407254 1340565967 /nfs/dbraw/zinc/56/59/67/1340565967.db2.gz KWSRAHJHQDNRRN-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001371613167 1340675998 /nfs/dbraw/zinc/67/59/98/1340675998.db2.gz HWCPBTWIXVGVFE-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO CC1CC(C[N@H+](CCNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001372802860 1340808225 /nfs/dbraw/zinc/80/82/25/1340808225.db2.gz HKIXTMOGPQAKAE-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[N@@H+](CCNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001372802860 1340808229 /nfs/dbraw/zinc/80/82/29/1340808229.db2.gz HKIXTMOGPQAKAE-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001373196179 1340942994 /nfs/dbraw/zinc/94/29/94/1340942994.db2.gz NPVRNLCEQWKKES-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001373196179 1340942995 /nfs/dbraw/zinc/94/29/95/1340942995.db2.gz NPVRNLCEQWKKES-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001373233843 1340960405 /nfs/dbraw/zinc/96/04/05/1340960405.db2.gz HNMGICDONSFXHQ-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001373233843 1340960406 /nfs/dbraw/zinc/96/04/06/1340960406.db2.gz HNMGICDONSFXHQ-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001373233836 1340960638 /nfs/dbraw/zinc/96/06/38/1340960638.db2.gz HNMGICDONSFXHQ-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001373233836 1340960639 /nfs/dbraw/zinc/96/06/39/1340960639.db2.gz HNMGICDONSFXHQ-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001373320868 1340990391 /nfs/dbraw/zinc/99/03/91/1340990391.db2.gz RCWDDKIRZNLQDD-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCC(CC)C[N@@H+](C)CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001373320868 1340990392 /nfs/dbraw/zinc/99/03/92/1340990392.db2.gz RCWDDKIRZNLQDD-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001373385413 1341007676 /nfs/dbraw/zinc/00/76/76/1341007676.db2.gz GIHNPXQNQDBHTF-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001373385413 1341007678 /nfs/dbraw/zinc/00/76/78/1341007678.db2.gz GIHNPXQNQDBHTF-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373404182 1341013927 /nfs/dbraw/zinc/01/39/27/1341013927.db2.gz HCURHOZAUXCUSZ-AZUAARDMSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373404182 1341013929 /nfs/dbraw/zinc/01/39/29/1341013929.db2.gz HCURHOZAUXCUSZ-AZUAARDMSA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC001373608508 1341069255 /nfs/dbraw/zinc/06/92/55/1341069255.db2.gz MNJDBYPQNMOFOY-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC001373608508 1341069257 /nfs/dbraw/zinc/06/92/57/1341069257.db2.gz MNJDBYPQNMOFOY-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001373631023 1341076205 /nfs/dbraw/zinc/07/62/05/1341076205.db2.gz QLXCJEDVPXAMAZ-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001373631023 1341076207 /nfs/dbraw/zinc/07/62/07/1341076207.db2.gz QLXCJEDVPXAMAZ-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001373651081 1341084399 /nfs/dbraw/zinc/08/43/99/1341084399.db2.gz DYFLJSBSEFWWSK-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001373696334 1341106391 /nfs/dbraw/zinc/10/63/91/1341106391.db2.gz NTQOFNIGHRMBGD-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001373818632 1341161108 /nfs/dbraw/zinc/16/11/08/1341161108.db2.gz NHVJFIZJIDBFBI-ZWKOTPCHSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001373818629 1341161130 /nfs/dbraw/zinc/16/11/30/1341161130.db2.gz NHVJFIZJIDBFBI-QZTJIDSGSA-N 1 3 337.483 2.705 20 0 EFADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]Cc2cccnc2)CCCC[C@H]1C ZINC001373897560 1341194466 /nfs/dbraw/zinc/19/44/66/1341194466.db2.gz DRSDDANWTNOZPE-YLJYHZDGSA-N 1 3 346.519 2.578 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(F)(F)C3)CC2)CCC1 ZINC001373915050 1341201592 /nfs/dbraw/zinc/20/15/92/1341201592.db2.gz ISFAJYBHTYSHBJ-SHTZXODSSA-N 1 3 343.462 2.533 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1)CC(C)(C)C ZINC001373919982 1341203837 /nfs/dbraw/zinc/20/38/37/1341203837.db2.gz GZNJDXANZSOIJE-QAQDUYKDSA-N 1 3 346.519 2.577 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](Cc2ccccc2F)CC1)N(C)C ZINC001373944368 1341231239 /nfs/dbraw/zinc/23/12/39/1341231239.db2.gz BSUAZCCJESGADA-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CCN(CCF)CC1)[NH+]1CCCCC1 ZINC001373953002 1341246856 /nfs/dbraw/zinc/24/68/56/1341246856.db2.gz VVIHAMYYZHDWSU-SFHVURJKSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001373967990 1341262139 /nfs/dbraw/zinc/26/21/39/1341262139.db2.gz ZTOYXABLUABICX-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001373970879 1341265289 /nfs/dbraw/zinc/26/52/89/1341265289.db2.gz JYWCFXBZJSESJW-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001373970906 1341265328 /nfs/dbraw/zinc/26/53/28/1341265328.db2.gz KKFBLFPXLSCVQM-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001374031632 1341320663 /nfs/dbraw/zinc/32/06/63/1341320663.db2.gz VWCHSKRTYSKXJD-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001374069811 1341360780 /nfs/dbraw/zinc/36/07/80/1341360780.db2.gz CIIPQGCUZYPBPY-KGLIPLIRSA-N 1 3 337.533 2.549 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001374072888 1341364312 /nfs/dbraw/zinc/36/43/12/1341364312.db2.gz HYGCEFOYVNKSSF-LRDDRELGSA-N 1 3 325.522 2.547 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001374079875 1341373661 /nfs/dbraw/zinc/37/36/61/1341373661.db2.gz QOHTVDFVJWZRTA-MRXNPFEDSA-N 1 3 333.520 2.815 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374080945 1341374663 /nfs/dbraw/zinc/37/46/63/1341374663.db2.gz JMKRKFVXNSVRLO-VQIMIIECSA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)CC(C)C)C2)CC1)N(C)C ZINC001374188327 1341532375 /nfs/dbraw/zinc/53/23/75/1341532375.db2.gz ZHJQSYZFQOGYLL-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001391896310 1355630480 /nfs/dbraw/zinc/63/04/80/1355630480.db2.gz AHPKBUOHMYAQTL-CXAGYDPISA-N 1 3 339.911 2.831 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001374206282 1341553639 /nfs/dbraw/zinc/55/36/39/1341553639.db2.gz NJQSZMJPPNJPLP-MLGOLLRUSA-N 1 3 341.858 2.510 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233508 1341586531 /nfs/dbraw/zinc/58/65/31/1341586531.db2.gz NBFPQWXBQYTYKB-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001374236043 1341589794 /nfs/dbraw/zinc/58/97/94/1341589794.db2.gz WDNBJDPTJVCSMN-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374284015 1341657341 /nfs/dbraw/zinc/65/73/41/1341657341.db2.gz CYXIKRDCRLWWDQ-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374284021 1341657614 /nfs/dbraw/zinc/65/76/14/1341657614.db2.gz CYXIKRDCRLWWDQ-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001374305785 1341690587 /nfs/dbraw/zinc/69/05/87/1341690587.db2.gz KSFQRNRJRYTSEP-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001374305785 1341690591 /nfs/dbraw/zinc/69/05/91/1341690591.db2.gz KSFQRNRJRYTSEP-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001374313485 1341702432 /nfs/dbraw/zinc/70/24/32/1341702432.db2.gz OTWXHODPXIXTTA-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001374380729 1341828866 /nfs/dbraw/zinc/82/88/66/1341828866.db2.gz DKRGMKAXEOIHCM-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001374404017 1341871700 /nfs/dbraw/zinc/87/17/00/1341871700.db2.gz RXDBUVQGXVKTEH-DIEDAUMRSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001374404017 1341871702 /nfs/dbraw/zinc/87/17/02/1341871702.db2.gz RXDBUVQGXVKTEH-DIEDAUMRSA-N 1 3 329.916 2.640 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)c1 ZINC001374428562 1341910388 /nfs/dbraw/zinc/91/03/88/1341910388.db2.gz WBUOMNGHKLRRDM-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392567610 1356126631 /nfs/dbraw/zinc/12/66/31/1356126631.db2.gz KTZKALUEOYVGAD-MAUKXSAKSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663552 1356211104 /nfs/dbraw/zinc/21/11/04/1356211104.db2.gz ZVYKXHVFYNZQFL-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663552 1356211107 /nfs/dbraw/zinc/21/11/07/1356211107.db2.gz ZVYKXHVFYNZQFL-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663553 1356211436 /nfs/dbraw/zinc/21/14/36/1356211436.db2.gz ZVYKXHVFYNZQFL-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663553 1356211439 /nfs/dbraw/zinc/21/14/39/1356211439.db2.gz ZVYKXHVFYNZQFL-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001374525198 1342018214 /nfs/dbraw/zinc/01/82/14/1342018214.db2.gz LPQYAMAYSYYHOM-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1 ZINC001374525198 1342018218 /nfs/dbraw/zinc/01/82/18/1342018218.db2.gz LPQYAMAYSYYHOM-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001374534820 1342035164 /nfs/dbraw/zinc/03/51/64/1342035164.db2.gz CGIBMMOXXKWNJV-HKUYNNGSSA-N 1 3 331.504 2.870 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001374534820 1342035167 /nfs/dbraw/zinc/03/51/67/1342035167.db2.gz CGIBMMOXXKWNJV-HKUYNNGSSA-N 1 3 331.504 2.870 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374547993 1342054653 /nfs/dbraw/zinc/05/46/53/1342054653.db2.gz ZTFWYWXXOVOQHA-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374547993 1342054655 /nfs/dbraw/zinc/05/46/55/1342054655.db2.gz ZTFWYWXXOVOQHA-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@H]2[C@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564045 1342079080 /nfs/dbraw/zinc/07/90/80/1342079080.db2.gz XMMLMPFEHBNADE-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@H]2[C@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564045 1342079088 /nfs/dbraw/zinc/07/90/88/1342079088.db2.gz XMMLMPFEHBNADE-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001374567805 1342080324 /nfs/dbraw/zinc/08/03/24/1342080324.db2.gz HQGHSLUAONDULT-OALUTQOASA-N 1 3 331.504 2.711 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)cs1 ZINC001374570389 1342082991 /nfs/dbraw/zinc/08/29/91/1342082991.db2.gz LIWMNQXJWVUFRU-AEFFLSMTSA-N 1 3 349.544 2.915 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001374702633 1342121028 /nfs/dbraw/zinc/12/10/28/1342121028.db2.gz YXXCFPGIDOZZPW-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001374813738 1342185894 /nfs/dbraw/zinc/18/58/94/1342185894.db2.gz JBFWSZUWKVSXKE-OAHLLOKOSA-N 1 3 337.483 2.706 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001374815192 1342186477 /nfs/dbraw/zinc/18/64/77/1342186477.db2.gz WNYRHWNHXCFLBF-WWGRRREGSA-N 1 3 325.884 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001393163875 1356669570 /nfs/dbraw/zinc/66/95/70/1356669570.db2.gz NMEIDKVPQGFIER-PZJWPPBQSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375094354 1342403873 /nfs/dbraw/zinc/40/38/73/1342403873.db2.gz KCNLXQRHSZWJCJ-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375094354 1342403877 /nfs/dbraw/zinc/40/38/77/1342403877.db2.gz KCNLXQRHSZWJCJ-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001375228061 1342531329 /nfs/dbraw/zinc/53/13/29/1342531329.db2.gz IYBIMIYUXQBHOZ-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001375231387 1342535209 /nfs/dbraw/zinc/53/52/09/1342535209.db2.gz AOWAKYTUIUKWJC-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001375265387 1342571041 /nfs/dbraw/zinc/57/10/41/1342571041.db2.gz ATZGJLXJAVEJRV-PMACEKPBSA-N 1 3 343.515 2.890 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](CC)C1 ZINC001375287828 1342596188 /nfs/dbraw/zinc/59/61/88/1342596188.db2.gz OIGZXFJSZMWMHU-RTBURBONSA-N 1 3 331.504 2.745 20 0 EFADHO CC1CC(CN2CC[C@@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001375335519 1342641329 /nfs/dbraw/zinc/64/13/29/1342641329.db2.gz YYPSWNRIBUSJMG-DAWZGUTISA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001375513593 1342821147 /nfs/dbraw/zinc/82/11/47/1342821147.db2.gz PRTFCWJMBJEVBM-HSALFYBXSA-N 1 3 345.531 2.608 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375520506 1342829530 /nfs/dbraw/zinc/82/95/30/1342829530.db2.gz YCXXWZNWKMYQNV-KNCCTNLNSA-N 1 3 335.467 2.711 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCC(F)(F)F)CC2)c1 ZINC001375555723 1342871055 /nfs/dbraw/zinc/87/10/55/1342871055.db2.gz SNIUJGNCWMREOP-UHFFFAOYSA-N 1 3 343.393 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN(CCF)C1CCCCCC1)[NH+](C)C ZINC001375586268 1342906242 /nfs/dbraw/zinc/90/62/42/1342906242.db2.gz ZSAFRTVQEGIRDP-KRWDZBQOSA-N 1 3 329.504 2.683 20 0 EFADHO CC1CC(C[NH+]2CCC(C)(NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001375778261 1343000138 /nfs/dbraw/zinc/00/01/38/1343000138.db2.gz JNTKXCFCLRIJAD-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375874233 1343120033 /nfs/dbraw/zinc/12/00/33/1343120033.db2.gz GLQYUJGXGNIYBL-FXAWDEMLSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001375883946 1343130149 /nfs/dbraw/zinc/13/01/49/1343130149.db2.gz ACLJFNVLFBUUCI-AZUAARDMSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001375886075 1343132145 /nfs/dbraw/zinc/13/21/45/1343132145.db2.gz DGQPKSJFJOTJSA-GOSISDBHSA-N 1 3 346.500 2.659 20 0 EFADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001375888935 1343135006 /nfs/dbraw/zinc/13/50/06/1343135006.db2.gz KNYAHLOZTALTTA-KUHUBIRLSA-N 1 3 344.434 2.681 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2(C)CC[NH+](CCCF)CC2)c1 ZINC001375930329 1343178592 /nfs/dbraw/zinc/17/85/92/1343178592.db2.gz DGKUHLAEMLMKEB-UHFFFAOYSA-N 1 3 349.494 2.940 20 0 EFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCC=C(Cl)Cl ZINC001393736363 1357114317 /nfs/dbraw/zinc/11/43/17/1357114317.db2.gz ABKVHWQQUCWECG-KGLIPLIRSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001376012904 1343258949 /nfs/dbraw/zinc/25/89/49/1343258949.db2.gz HNPXKDMZPHBOAP-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001376022866 1343266957 /nfs/dbraw/zinc/26/69/57/1343266957.db2.gz ORZYHAIFXIQCBB-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376059137 1343292565 /nfs/dbraw/zinc/29/25/65/1343292565.db2.gz MQWGMSWVNZEZDS-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001376068082 1343302624 /nfs/dbraw/zinc/30/26/24/1343302624.db2.gz HFVOTTGYMOKKAR-HXUWFJFHSA-N 1 3 343.515 2.686 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376151380 1343357584 /nfs/dbraw/zinc/35/75/84/1343357584.db2.gz NUIJMBZXYQOXJX-JXFKEZNVSA-N 1 3 343.515 2.769 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001376154615 1343359990 /nfs/dbraw/zinc/35/99/90/1343359990.db2.gz PMYMAIOOKKRQRA-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001376154615 1343359993 /nfs/dbraw/zinc/35/99/93/1343359993.db2.gz PMYMAIOOKKRQRA-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c(C)c1 ZINC001376165940 1343368943 /nfs/dbraw/zinc/36/89/43/1343368943.db2.gz OACLUUGBBONISY-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001393752670 1357126235 /nfs/dbraw/zinc/12/62/35/1357126235.db2.gz VPEHAQISMKKAET-MAUKXSAKSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001393752670 1357126236 /nfs/dbraw/zinc/12/62/36/1357126236.db2.gz VPEHAQISMKKAET-MAUKXSAKSA-N 1 3 343.471 2.711 20 0 EFADHO CN(CC(=O)NC[C@H]([NH2+]Cc1cccc(F)c1)C1CC1)CC(C)(C)C ZINC001376255381 1343431740 /nfs/dbraw/zinc/43/17/40/1343431740.db2.gz NQHJLWAINRYKAD-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)CC(C)(C)C ZINC001376380526 1343534599 /nfs/dbraw/zinc/53/45/99/1343534599.db2.gz XDLIGQBDNVKAIY-BCDXTJNWSA-N 1 3 335.536 2.734 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)CC(C)(C)C ZINC001376380526 1343534600 /nfs/dbraw/zinc/53/46/00/1343534600.db2.gz XDLIGQBDNVKAIY-BCDXTJNWSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376393875 1343548472 /nfs/dbraw/zinc/54/84/72/1343548472.db2.gz PTWDAOLVSINKFS-SHTZXODSSA-N 1 3 349.906 2.727 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001376407350 1343563125 /nfs/dbraw/zinc/56/31/25/1343563125.db2.gz KDMVSBMZTZVVPE-PBWTXFEYSA-N 1 3 347.478 2.780 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC001376408704 1343564001 /nfs/dbraw/zinc/56/40/01/1343564001.db2.gz NUHQYKLBYINUDM-VAMGGRTRSA-N 1 3 345.531 2.962 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507405 1343634594 /nfs/dbraw/zinc/63/45/94/1343634594.db2.gz FNODKCZUNAMOTI-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507405 1343634595 /nfs/dbraw/zinc/63/45/95/1343634595.db2.gz FNODKCZUNAMOTI-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001376527700 1343652466 /nfs/dbraw/zinc/65/24/66/1343652466.db2.gz MCRAAVKPXDHYKP-QGZVFWFLSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001376527700 1343652470 /nfs/dbraw/zinc/65/24/70/1343652470.db2.gz MCRAAVKPXDHYKP-QGZVFWFLSA-N 1 3 325.541 2.983 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001376643021 1343741908 /nfs/dbraw/zinc/74/19/08/1343741908.db2.gz DNGGPEDWMSPOGL-FLNBYBTLSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001376643021 1343741909 /nfs/dbraw/zinc/74/19/09/1343741909.db2.gz DNGGPEDWMSPOGL-FLNBYBTLSA-N 1 3 343.515 2.689 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001376806757 1343856279 /nfs/dbraw/zinc/85/62/79/1343856279.db2.gz GOJXZOPPNMWSGR-UHFFFAOYSA-N 1 3 337.895 2.810 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)[C@H](C)C1 ZINC001393786022 1357154261 /nfs/dbraw/zinc/15/42/61/1357154261.db2.gz ILGPQPYADPBPAZ-UYAOXDASSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)[C@H](C)C1 ZINC001393786022 1357154264 /nfs/dbraw/zinc/15/42/64/1357154264.db2.gz ILGPQPYADPBPAZ-UYAOXDASSA-N 1 3 345.531 2.930 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C\c3ccccc3)C2)CC1 ZINC001376917594 1343955718 /nfs/dbraw/zinc/95/57/18/1343955718.db2.gz JSQMODJNNQHQJJ-VORVDVFJSA-N 1 3 341.499 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001376950972 1343980637 /nfs/dbraw/zinc/98/06/37/1343980637.db2.gz MLNZFRFCYMHFNV-ZDUSSCGKSA-N 1 3 343.924 2.681 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001376968779 1343997341 /nfs/dbraw/zinc/99/73/41/1343997341.db2.gz WUXDVAMRCKACPT-ZWKOTPCHSA-N 1 3 347.478 2.827 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001376968778 1343997393 /nfs/dbraw/zinc/99/73/93/1343997393.db2.gz WUXDVAMRCKACPT-ROUUACIJSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001377006098 1344051081 /nfs/dbraw/zinc/05/10/81/1344051081.db2.gz XPKRYXUGZFCUDD-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001377006098 1344051083 /nfs/dbraw/zinc/05/10/83/1344051083.db2.gz XPKRYXUGZFCUDD-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001377038393 1344083640 /nfs/dbraw/zinc/08/36/40/1344083640.db2.gz YHZRMRHICXOPCS-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001377151801 1344141715 /nfs/dbraw/zinc/14/17/15/1344141715.db2.gz SANIDZRKUCTUSD-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001377151801 1344141717 /nfs/dbraw/zinc/14/17/17/1344141717.db2.gz SANIDZRKUCTUSD-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(CF)cc1 ZINC001377307183 1344148381 /nfs/dbraw/zinc/14/83/81/1344148381.db2.gz MWBRLICVTQLVAF-IBGZPJMESA-N 1 3 349.494 2.967 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(CF)cc1 ZINC001377307183 1344148386 /nfs/dbraw/zinc/14/83/86/1344148386.db2.gz MWBRLICVTQLVAF-IBGZPJMESA-N 1 3 349.494 2.967 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001377758110 1344405189 /nfs/dbraw/zinc/40/51/89/1344405189.db2.gz SWONKQDRZHMAHC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001377758110 1344405192 /nfs/dbraw/zinc/40/51/92/1344405192.db2.gz SWONKQDRZHMAHC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001377762137 1344412490 /nfs/dbraw/zinc/41/24/90/1344412490.db2.gz GKOXQHBJFWJIET-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001377762137 1344412492 /nfs/dbraw/zinc/41/24/92/1344412492.db2.gz GKOXQHBJFWJIET-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001377793877 1344447192 /nfs/dbraw/zinc/44/71/92/1344447192.db2.gz ZGXPTSMORHDBDH-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CCC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001377793877 1344447195 /nfs/dbraw/zinc/44/71/95/1344447195.db2.gz ZGXPTSMORHDBDH-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001377837418 1344493571 /nfs/dbraw/zinc/49/35/71/1344493571.db2.gz GIPMBMKLHZZXTC-NEWSRXKRSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001393828447 1357191779 /nfs/dbraw/zinc/19/17/79/1357191779.db2.gz PIUFSCDGCOYHMG-LBPRGKRZSA-N 1 3 334.851 2.599 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001378004197 1344654068 /nfs/dbraw/zinc/65/40/68/1344654068.db2.gz CDZCLHSAEQJKHR-INIZCTEOSA-N 1 3 343.515 2.626 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001378004197 1344654072 /nfs/dbraw/zinc/65/40/72/1344654072.db2.gz CDZCLHSAEQJKHR-INIZCTEOSA-N 1 3 343.515 2.626 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064164 1344717733 /nfs/dbraw/zinc/71/77/33/1344717733.db2.gz LZFNUVOKQBHFQY-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064164 1344717736 /nfs/dbraw/zinc/71/77/36/1344717736.db2.gz LZFNUVOKQBHFQY-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378066546 1344720908 /nfs/dbraw/zinc/72/09/08/1344720908.db2.gz FEYCRLBKULQFNH-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO Cc1cccc(CCC[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378077550 1344732706 /nfs/dbraw/zinc/73/27/06/1344732706.db2.gz UOCGOWSUFORUMM-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cccc(CCC[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378077550 1344732710 /nfs/dbraw/zinc/73/27/10/1344732710.db2.gz UOCGOWSUFORUMM-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001378129905 1344791711 /nfs/dbraw/zinc/79/17/11/1344791711.db2.gz JCIZJLJRCXXYCX-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001378129905 1344791716 /nfs/dbraw/zinc/79/17/16/1344791716.db2.gz JCIZJLJRCXXYCX-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001378168360 1344838280 /nfs/dbraw/zinc/83/82/80/1344838280.db2.gz YPPJMPKKBGFXGG-LJQANCHMSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001378250741 1344931152 /nfs/dbraw/zinc/93/11/52/1344931152.db2.gz BPPQXUJCYQTONB-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccc(F)cc1 ZINC001378379150 1345025949 /nfs/dbraw/zinc/02/59/49/1345025949.db2.gz KWHJDZWXFJFURQ-GOSISDBHSA-N 1 3 346.450 2.754 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001378474995 1345108694 /nfs/dbraw/zinc/10/86/94/1345108694.db2.gz FJGXUYGCZCQQTL-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001378496229 1345123636 /nfs/dbraw/zinc/12/36/36/1345123636.db2.gz OIKNMCAOSZMYRH-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001378516397 1345135510 /nfs/dbraw/zinc/13/55/10/1345135510.db2.gz WNLJYLHRWULQPV-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378564889 1345166943 /nfs/dbraw/zinc/16/69/43/1345166943.db2.gz NGZFLOLCKLDYQV-QAPCUYQASA-N 1 3 335.467 2.542 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001378588788 1345182902 /nfs/dbraw/zinc/18/29/02/1345182902.db2.gz VOFOEWNQYRUPEP-DOTOQJQBSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001378611671 1345197375 /nfs/dbraw/zinc/19/73/75/1345197375.db2.gz JDVONFBTVBJMDS-DNVCBOLYSA-N 1 3 333.520 2.732 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001378626523 1345206201 /nfs/dbraw/zinc/20/62/01/1345206201.db2.gz WSEDMXSMSRPMSJ-QWHCGFSZSA-N 1 3 332.423 2.503 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001378626521 1345206722 /nfs/dbraw/zinc/20/67/22/1345206722.db2.gz WSEDMXSMSRPMSJ-OLZOCXBDSA-N 1 3 332.423 2.503 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001378777017 1345308541 /nfs/dbraw/zinc/30/85/41/1345308541.db2.gz QTPYHDHAFNZTFJ-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001378842732 1345355497 /nfs/dbraw/zinc/35/54/97/1345355497.db2.gz MOHXEKFPHLMMIO-MAUKXSAKSA-N 1 3 337.483 2.679 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001378921055 1345426183 /nfs/dbraw/zinc/42/61/83/1345426183.db2.gz UPFVXKGWOYVQGH-OLZOCXBDSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001378921069 1345426325 /nfs/dbraw/zinc/42/63/25/1345426325.db2.gz UPFVXKGWOYVQGH-STQMWFEESA-N 1 3 348.318 2.616 20 0 EFADHO CC1CC(C[N@H+](C)CCC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001378924546 1345429790 /nfs/dbraw/zinc/42/97/90/1345429790.db2.gz WMOGEQKGXYXAJP-ZJRDLVKKSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)CCC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001378924546 1345429792 /nfs/dbraw/zinc/42/97/92/1345429792.db2.gz WMOGEQKGXYXAJP-ZJRDLVKKSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001379028550 1345510229 /nfs/dbraw/zinc/51/02/29/1345510229.db2.gz VMHNMFRFRYHTNK-VQTJNVASSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001379031578 1345512347 /nfs/dbraw/zinc/51/23/47/1345512347.db2.gz NCWUCZRFDQOOTF-BEFAXECRSA-N 1 3 340.471 2.848 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001393883138 1357249649 /nfs/dbraw/zinc/24/96/49/1357249649.db2.gz NKMFBUBXYXRPGM-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001393883138 1357249652 /nfs/dbraw/zinc/24/96/52/1357249652.db2.gz NKMFBUBXYXRPGM-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001379074798 1345555196 /nfs/dbraw/zinc/55/51/96/1345555196.db2.gz KUODWIMCKOUIDC-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001379099642 1345576802 /nfs/dbraw/zinc/57/68/02/1345576802.db2.gz MVUAERIKFDHFGN-LJQANCHMSA-N 1 3 333.520 2.780 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001379229857 1345670401 /nfs/dbraw/zinc/67/04/01/1345670401.db2.gz MWSVPVIHFKKMQO-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001379292310 1345704636 /nfs/dbraw/zinc/70/46/36/1345704636.db2.gz ZFYRZIKTOVQKPE-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001379381730 1345755714 /nfs/dbraw/zinc/75/57/14/1345755714.db2.gz KDJLQUBBAKDRNB-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001379422980 1345777530 /nfs/dbraw/zinc/77/75/30/1345777530.db2.gz VOSSUSZMNORZLJ-GQIGUUNPSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001379511580 1345819366 /nfs/dbraw/zinc/81/93/66/1345819366.db2.gz WYXNLSWSJNOQNI-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001379551666 1345850755 /nfs/dbraw/zinc/85/07/55/1345850755.db2.gz MUESSZIWZZHJGU-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001379581613 1345886472 /nfs/dbraw/zinc/88/64/72/1345886472.db2.gz YONVLIVEENUQOW-SMDDNHRTSA-N 1 3 331.913 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001379581607 1345886719 /nfs/dbraw/zinc/88/67/19/1345886719.db2.gz YONVLIVEENUQOW-FZMZJTMJSA-N 1 3 331.913 2.582 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001379878164 1347383429 /nfs/dbraw/zinc/38/34/29/1347383429.db2.gz PKQYZIJMBOULRI-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)cc1 ZINC001379895758 1347392719 /nfs/dbraw/zinc/39/27/19/1347392719.db2.gz HQXMLMOJHXUZFV-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001380102553 1347516017 /nfs/dbraw/zinc/51/60/17/1347516017.db2.gz YEHMJALYZGWINF-SFHVURJKSA-N 1 3 331.504 2.628 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2)CC1)N1CCCCCC1 ZINC001380153169 1347537423 /nfs/dbraw/zinc/53/74/23/1347537423.db2.gz NJSHLXGKIWNMML-SFHVURJKSA-N 1 3 343.515 2.732 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)c2ccccc2F)C1 ZINC001380175305 1347549350 /nfs/dbraw/zinc/54/93/50/1347549350.db2.gz ACKIZMQIJHHFBJ-QQFBHYJXSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c1 ZINC001380180252 1347553456 /nfs/dbraw/zinc/55/34/56/1347553456.db2.gz IVALOKVTPAAXLM-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C[C@@H]1C ZINC001380262167 1347559790 /nfs/dbraw/zinc/55/97/90/1347559790.db2.gz DFQYJWROGNNXKE-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C[C@@H]2C)CC1 ZINC001380274926 1347564602 /nfs/dbraw/zinc/56/46/02/1347564602.db2.gz XFEKHUUVHYKPLG-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001380404430 1347650116 /nfs/dbraw/zinc/65/01/16/1347650116.db2.gz WZDHGVLDXNDYOL-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)CC(C)(C)C ZINC001380472526 1347701468 /nfs/dbraw/zinc/70/14/68/1347701468.db2.gz HPLURILRTRVAJM-HXUWFJFHSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1)CC(C)(C)C ZINC001380472526 1347701472 /nfs/dbraw/zinc/70/14/72/1347701472.db2.gz HPLURILRTRVAJM-HXUWFJFHSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380659194 1347795333 /nfs/dbraw/zinc/79/53/33/1347795333.db2.gz FJCPNFHAXGHFNR-JKSUJKDBSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001380803986 1347889124 /nfs/dbraw/zinc/88/91/24/1347889124.db2.gz MPOQEQHTRGQLKP-GUDVDZBRSA-N 1 3 331.504 2.791 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001380859542 1347919791 /nfs/dbraw/zinc/91/97/91/1347919791.db2.gz IYGQLVRQDIVZOU-QHQPLOKBSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001380859542 1347919793 /nfs/dbraw/zinc/91/97/93/1347919793.db2.gz IYGQLVRQDIVZOU-QHQPLOKBSA-N 1 3 339.911 2.774 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1 ZINC001380884478 1347935882 /nfs/dbraw/zinc/93/58/82/1347935882.db2.gz WXQLDKQSUXGGCD-DAWZGUTISA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1 ZINC001380884472 1347936090 /nfs/dbraw/zinc/93/60/90/1347936090.db2.gz WXQLDKQSUXGGCD-ABHNRTSZSA-N 1 3 335.536 2.924 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001380949240 1347978825 /nfs/dbraw/zinc/97/88/25/1347978825.db2.gz OCEAQARBRLPOCS-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001380949240 1347978827 /nfs/dbraw/zinc/97/88/27/1347978827.db2.gz OCEAQARBRLPOCS-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001380957191 1347984145 /nfs/dbraw/zinc/98/41/45/1347984145.db2.gz GJOLHQQPOQCZPK-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001380957191 1347984148 /nfs/dbraw/zinc/98/41/48/1347984148.db2.gz GJOLHQQPOQCZPK-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)[C@H]1CCCCN1C ZINC001380960815 1347986754 /nfs/dbraw/zinc/98/67/54/1347986754.db2.gz JXEVKISFTJCZGI-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CN(CCC[N@@H+](C)CCc1ccccc1F)C(=O)[C@H]1CCCCN1C ZINC001380960815 1347986756 /nfs/dbraw/zinc/98/67/56/1347986756.db2.gz JXEVKISFTJCZGI-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)[C@@H]1CCCCN1C ZINC001380960812 1347986907 /nfs/dbraw/zinc/98/69/07/1347986907.db2.gz JXEVKISFTJCZGI-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CN(CCC[N@@H+](C)CCc1ccccc1F)C(=O)[C@@H]1CCCCN1C ZINC001380960812 1347986909 /nfs/dbraw/zinc/98/69/09/1347986909.db2.gz JXEVKISFTJCZGI-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001380969728 1347993342 /nfs/dbraw/zinc/99/33/42/1347993342.db2.gz IGOOHWISCQDOBV-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1F ZINC001380969728 1347993344 /nfs/dbraw/zinc/99/33/44/1347993344.db2.gz IGOOHWISCQDOBV-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCC(F)(F)F ZINC001381167325 1348116730 /nfs/dbraw/zinc/11/67/30/1348116730.db2.gz VWPPIAITUQTTBR-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccccc2F)[C@H](C)C1 ZINC001381172364 1348119953 /nfs/dbraw/zinc/11/99/53/1348119953.db2.gz MEPWVUUJGHTOPF-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccccc2F)[C@H](C)C1 ZINC001381172364 1348119956 /nfs/dbraw/zinc/11/99/56/1348119956.db2.gz MEPWVUUJGHTOPF-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cccc(Cl)c1F ZINC001381181805 1348126810 /nfs/dbraw/zinc/12/68/10/1348126810.db2.gz PWBQGHFDZLNPAB-SWLSCSKDSA-N 1 3 341.858 2.558 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001381214491 1348144506 /nfs/dbraw/zinc/14/45/06/1348144506.db2.gz PXICUZRCDYCZJU-YOEHRIQHSA-N 1 3 339.911 2.973 20 0 EFADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001381233012 1348157095 /nfs/dbraw/zinc/15/70/95/1348157095.db2.gz BOCBOZXUNDVNRC-ZDUSSCGKSA-N 1 3 345.409 2.799 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1C ZINC001381290903 1348191313 /nfs/dbraw/zinc/19/13/13/1348191313.db2.gz LFFCEWWSBPAFHW-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1C ZINC001381290903 1348191316 /nfs/dbraw/zinc/19/13/16/1348191316.db2.gz LFFCEWWSBPAFHW-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381527003 1348330964 /nfs/dbraw/zinc/33/09/64/1348330964.db2.gz CWEUPTHILJQXCJ-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381527003 1348330967 /nfs/dbraw/zinc/33/09/67/1348330967.db2.gz CWEUPTHILJQXCJ-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381595759 1348390132 /nfs/dbraw/zinc/39/01/32/1348390132.db2.gz CNCHRFVZWAZCDE-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381595759 1348390136 /nfs/dbraw/zinc/39/01/36/1348390136.db2.gz CNCHRFVZWAZCDE-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001381762919 1348510681 /nfs/dbraw/zinc/51/06/81/1348510681.db2.gz GWNHNIWKVWQDTR-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001381762919 1348510686 /nfs/dbraw/zinc/51/06/86/1348510686.db2.gz GWNHNIWKVWQDTR-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cncc(C)c1 ZINC001381763073 1348511574 /nfs/dbraw/zinc/51/15/74/1348511574.db2.gz IKUIWJYXOWVECV-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cncc(C)c1 ZINC001381763073 1348511576 /nfs/dbraw/zinc/51/15/76/1348511576.db2.gz IKUIWJYXOWVECV-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001381811420 1348542427 /nfs/dbraw/zinc/54/24/27/1348542427.db2.gz ZITQWNWRBCPWIH-APWZRJJASA-N 1 3 331.504 2.518 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001381811474 1348543293 /nfs/dbraw/zinc/54/32/93/1348543293.db2.gz ZUHZLKVCALDEFW-VQIMIIECSA-N 1 3 331.504 2.916 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001381816404 1348546639 /nfs/dbraw/zinc/54/66/39/1348546639.db2.gz SXEQQVGEEUQTOD-AWEZNQCLSA-N 1 3 337.533 2.643 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001381816404 1348546637 /nfs/dbraw/zinc/54/66/37/1348546637.db2.gz SXEQQVGEEUQTOD-AWEZNQCLSA-N 1 3 337.533 2.643 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001382021666 1348667594 /nfs/dbraw/zinc/66/75/94/1348667594.db2.gz VMHNMFRFRYHTNK-PMACEKPBSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001382129710 1348749845 /nfs/dbraw/zinc/74/98/45/1348749845.db2.gz VSLPXOGUWLJALB-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001382129702 1348750271 /nfs/dbraw/zinc/75/02/71/1348750271.db2.gz VSLPXOGUWLJALB-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001382163751 1348786422 /nfs/dbraw/zinc/78/64/22/1348786422.db2.gz WYBJCSZUTQGBSD-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001382307044 1348857723 /nfs/dbraw/zinc/85/77/23/1348857723.db2.gz BWESOHBNNZCZJU-XNFDCWPSSA-N 1 3 349.906 2.736 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C)N(C)C ZINC001382535562 1349000610 /nfs/dbraw/zinc/00/06/10/1349000610.db2.gz NHRHTDNEMSMVAY-QZTJIDSGSA-N 1 3 333.520 2.893 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001382580208 1349031568 /nfs/dbraw/zinc/03/15/68/1349031568.db2.gz UHYWAZYZLKHQLL-UHFFFAOYSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C3CCC3)C2)c1 ZINC001382580235 1349031719 /nfs/dbraw/zinc/03/17/19/1349031719.db2.gz UWIBDGUCHIBEIG-UHFFFAOYSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001394077679 1357446087 /nfs/dbraw/zinc/44/60/87/1357446087.db2.gz RVFDRJNFKVZXSM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001394077679 1357446090 /nfs/dbraw/zinc/44/60/90/1357446090.db2.gz RVFDRJNFKVZXSM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1cccc(CN(C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001394100393 1357471224 /nfs/dbraw/zinc/47/12/24/1357471224.db2.gz GGFUVGZGXBOAIO-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)cc1 ZINC001394171339 1357544890 /nfs/dbraw/zinc/54/48/90/1357544890.db2.gz IJZUOYFUSPWGHQ-RTBURBONSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001420304134 1376696679 /nfs/dbraw/zinc/69/66/79/1376696679.db2.gz BDKGPLVIEZRSLU-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001420304134 1376696683 /nfs/dbraw/zinc/69/66/83/1376696683.db2.gz BDKGPLVIEZRSLU-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(CF)cc2)C1)[NH+](C)C ZINC001394233124 1357623735 /nfs/dbraw/zinc/62/37/35/1357623735.db2.gz XKBZPZGMRGRSRW-KXBFYZLASA-N 1 3 349.494 2.679 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001394246239 1357632817 /nfs/dbraw/zinc/63/28/17/1357632817.db2.gz FVWQQNVTHIZDFO-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001394246231 1357632851 /nfs/dbraw/zinc/63/28/51/1357632851.db2.gz FVWQQNVTHIZDFO-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC001394252299 1357639090 /nfs/dbraw/zinc/63/90/90/1357639090.db2.gz GOEAWLGTWLMOCL-AWEZNQCLSA-N 1 3 332.492 2.668 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001394260870 1357646941 /nfs/dbraw/zinc/64/69/41/1357646941.db2.gz HUUVVGOJERIZEL-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001394260870 1357646943 /nfs/dbraw/zinc/64/69/43/1357646943.db2.gz HUUVVGOJERIZEL-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001388663528 1352904788 /nfs/dbraw/zinc/90/47/88/1352904788.db2.gz BBVRDZAYJHMQEA-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CCC[NH+]1CCCC1 ZINC001388667691 1352907756 /nfs/dbraw/zinc/90/77/56/1352907756.db2.gz VZFXXIFJCUTHGX-KRWDZBQOSA-N 1 3 349.544 2.699 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001388686667 1352920426 /nfs/dbraw/zinc/92/04/26/1352920426.db2.gz ZOQXHBKVWOTMAM-HZSPNIEDSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001388686667 1352920428 /nfs/dbraw/zinc/92/04/28/1352920428.db2.gz ZOQXHBKVWOTMAM-HZSPNIEDSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001388686672 1352920669 /nfs/dbraw/zinc/92/06/69/1352920669.db2.gz ZOQXHBKVWOTMAM-MJBXVCDLSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001388686672 1352920671 /nfs/dbraw/zinc/92/06/71/1352920671.db2.gz ZOQXHBKVWOTMAM-MJBXVCDLSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001388687483 1352921190 /nfs/dbraw/zinc/92/11/90/1352921190.db2.gz MVGMWELUXFZPML-RMJJICAUSA-N 1 3 343.515 2.882 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001388719575 1352947884 /nfs/dbraw/zinc/94/78/84/1352947884.db2.gz HVTVOEDRQODQPR-WDSOQIARSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001388722123 1352949640 /nfs/dbraw/zinc/94/96/40/1352949640.db2.gz SGCLEVRRGIQNFU-IIDMSEBBSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001388726512 1352954487 /nfs/dbraw/zinc/95/44/87/1352954487.db2.gz OFDGKZPIDIZZBO-WYODICHXSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001388796292 1353027853 /nfs/dbraw/zinc/02/78/53/1353027853.db2.gz NSIIQWNTPJDVJV-SQNIBIBYSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001388796292 1353027857 /nfs/dbraw/zinc/02/78/57/1353027857.db2.gz NSIIQWNTPJDVJV-SQNIBIBYSA-N 1 3 337.552 2.933 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001389386686 1353354872 /nfs/dbraw/zinc/35/48/72/1353354872.db2.gz HEGGPUXCYWNCEN-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001389740992 1353593574 /nfs/dbraw/zinc/59/35/74/1353593574.db2.gz KMUHVQMDZBTJRX-GOSISDBHSA-N 1 3 331.504 2.942 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001389740992 1353593578 /nfs/dbraw/zinc/59/35/78/1353593578.db2.gz KMUHVQMDZBTJRX-GOSISDBHSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001389881973 1353665715 /nfs/dbraw/zinc/66/57/15/1353665715.db2.gz KFUXIPSMIFYHMN-IHRRRGAJSA-N 1 3 348.318 2.805 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001389881973 1353665719 /nfs/dbraw/zinc/66/57/19/1353665719.db2.gz KFUXIPSMIFYHMN-IHRRRGAJSA-N 1 3 348.318 2.805 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1)CC(C)(C)C ZINC001389887281 1353668909 /nfs/dbraw/zinc/66/89/09/1353668909.db2.gz PQKHFRUADWRMLZ-SHTZXODSSA-N 1 3 337.533 2.505 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001389904001 1353679127 /nfs/dbraw/zinc/67/91/27/1353679127.db2.gz YVSHXQDYCBDMNM-FHWLQOOXSA-N 1 3 331.504 2.572 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001390405747 1354067150 /nfs/dbraw/zinc/06/71/50/1354067150.db2.gz RLOLJNUNFZGEKG-CXAGYDPISA-N 1 3 349.906 2.906 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001394854859 1358160890 /nfs/dbraw/zinc/16/08/90/1358160890.db2.gz UJCWJLUGLDGKIB-UHFFFAOYSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390464704 1354099614 /nfs/dbraw/zinc/09/96/14/1354099614.db2.gz QNUZBPIZALDING-AWEZNQCLSA-N 1 3 337.895 2.585 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001390477371 1354110966 /nfs/dbraw/zinc/11/09/66/1354110966.db2.gz HVMVIBYNNMNPBR-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001390477370 1354111055 /nfs/dbraw/zinc/11/10/55/1354111055.db2.gz HVMVIBYNNMNPBR-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001390510365 1354136097 /nfs/dbraw/zinc/13/60/97/1354136097.db2.gz OYYSMGAHTMZWKJ-UZLBHIALSA-N 1 3 341.499 2.817 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001390593254 1354191168 /nfs/dbraw/zinc/19/11/68/1354191168.db2.gz OHZNZMROCOREHU-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001390606827 1354201125 /nfs/dbraw/zinc/20/11/25/1354201125.db2.gz TUPLHUVIJWFJEA-QTNMRXCUSA-N 1 3 348.318 2.620 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001390764155 1354351970 /nfs/dbraw/zinc/35/19/70/1354351970.db2.gz JCNUMPAEMPVMNC-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001390764155 1354351975 /nfs/dbraw/zinc/35/19/75/1354351975.db2.gz JCNUMPAEMPVMNC-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)CCc1ccccc1 ZINC001390797620 1354385286 /nfs/dbraw/zinc/38/52/86/1354385286.db2.gz WYNKFHCBYUOOMV-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390819953 1354405916 /nfs/dbraw/zinc/40/59/16/1354405916.db2.gz QPZVVGPRUQCDAA-QAPCUYQASA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390819953 1354405918 /nfs/dbraw/zinc/40/59/18/1354405918.db2.gz QPZVVGPRUQCDAA-QAPCUYQASA-N 1 3 335.467 2.667 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001390864574 1354447137 /nfs/dbraw/zinc/44/71/37/1354447137.db2.gz PBKDDPRHBGLXED-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001390864574 1354447142 /nfs/dbraw/zinc/44/71/42/1354447142.db2.gz PBKDDPRHBGLXED-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCN1C ZINC001390948030 1354569790 /nfs/dbraw/zinc/56/97/90/1354569790.db2.gz BOHXCRBAKLZKJY-MJICGBHWSA-N 1 3 349.906 2.886 20 0 EFADHO CC[N@H+](C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCN1C ZINC001390948030 1354569794 /nfs/dbraw/zinc/56/97/94/1354569794.db2.gz BOHXCRBAKLZKJY-MJICGBHWSA-N 1 3 349.906 2.886 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)CC1CCC(C)(C)CC1)N(C)C ZINC001391013835 1354686198 /nfs/dbraw/zinc/68/61/98/1354686198.db2.gz ZTCYAIRWIYBYQE-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)CC1CCC(C)(C)CC1)N(C)C ZINC001391013835 1354686202 /nfs/dbraw/zinc/68/62/02/1354686202.db2.gz ZTCYAIRWIYBYQE-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)CC1CCC(C)(C)CC1)N(C)C ZINC001391013838 1354686304 /nfs/dbraw/zinc/68/63/04/1354686304.db2.gz ZTCYAIRWIYBYQE-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)CC1CCC(C)(C)CC1)N(C)C ZINC001391013838 1354686309 /nfs/dbraw/zinc/68/63/09/1354686309.db2.gz ZTCYAIRWIYBYQE-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001391057150 1354744890 /nfs/dbraw/zinc/74/48/90/1354744890.db2.gz BMJRZUKDVHHIDP-SSGOSMAHSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094738 1354786383 /nfs/dbraw/zinc/78/63/83/1354786383.db2.gz JBSPGHPRSAJQQO-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094738 1354786388 /nfs/dbraw/zinc/78/63/88/1354786388.db2.gz JBSPGHPRSAJQQO-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001391103377 1354798502 /nfs/dbraw/zinc/79/85/02/1354798502.db2.gz ZGKJPXCJAWNEGN-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001391103377 1354798508 /nfs/dbraw/zinc/79/85/08/1354798508.db2.gz ZGKJPXCJAWNEGN-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001391111106 1354808529 /nfs/dbraw/zinc/80/85/29/1354808529.db2.gz LQFRIVOYSPDUDH-IBGZPJMESA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001391111106 1354808531 /nfs/dbraw/zinc/80/85/31/1354808531.db2.gz LQFRIVOYSPDUDH-IBGZPJMESA-N 1 3 331.504 2.529 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001391111697 1354811148 /nfs/dbraw/zinc/81/11/48/1354811148.db2.gz AXQNVKHVDYGBDW-KRWDZBQOSA-N 1 3 347.478 2.640 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)c1 ZINC001391180797 1354908465 /nfs/dbraw/zinc/90/84/65/1354908465.db2.gz LSUOHCVKRHLASX-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCc2c1cccc2F ZINC001391194544 1354921372 /nfs/dbraw/zinc/92/13/72/1354921372.db2.gz BFVIWJUGHKPBNT-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCc2c1cccc2F ZINC001391194544 1354921376 /nfs/dbraw/zinc/92/13/76/1354921376.db2.gz BFVIWJUGHKPBNT-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001391212156 1354937111 /nfs/dbraw/zinc/93/71/11/1354937111.db2.gz FTCQBTPSRWLVRK-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001391214981 1354939674 /nfs/dbraw/zinc/93/96/74/1354939674.db2.gz JLXCWAFDPMSWIH-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001391224679 1354946353 /nfs/dbraw/zinc/94/63/53/1354946353.db2.gz GKCJQORPVLGLGK-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001391316113 1355061581 /nfs/dbraw/zinc/06/15/81/1355061581.db2.gz ZDDNTNKUEJNGQK-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001391316113 1355061587 /nfs/dbraw/zinc/06/15/87/1355061587.db2.gz ZDDNTNKUEJNGQK-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2F)C1)C1CCC1 ZINC001391315315 1355061626 /nfs/dbraw/zinc/06/16/26/1355061626.db2.gz XRLBILDGOUADQL-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)C1CCC1 ZINC001391315315 1355061628 /nfs/dbraw/zinc/06/16/28/1355061628.db2.gz XRLBILDGOUADQL-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001391341199 1355098707 /nfs/dbraw/zinc/09/87/07/1355098707.db2.gz RUNWZAUAMKFIBP-MRXNPFEDSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001391341199 1355098709 /nfs/dbraw/zinc/09/87/09/1355098709.db2.gz RUNWZAUAMKFIBP-MRXNPFEDSA-N 1 3 334.508 2.915 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001391349079 1355107555 /nfs/dbraw/zinc/10/75/55/1355107555.db2.gz BBJVSDCAIMHQAT-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001391349079 1355107559 /nfs/dbraw/zinc/10/75/59/1355107559.db2.gz BBJVSDCAIMHQAT-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001391378874 1355147680 /nfs/dbraw/zinc/14/76/80/1355147680.db2.gz CQICKWQZZQUXMM-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+](CCC3CCCCCC3)C2)CCC1 ZINC001391491993 1355243249 /nfs/dbraw/zinc/24/32/49/1355243249.db2.gz OBERDSSAWXRJBT-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1ccccc1C ZINC001391540947 1355289269 /nfs/dbraw/zinc/28/92/69/1355289269.db2.gz ZJEAOBGQRNJDIU-BZSNNMDCSA-N 1 3 329.488 2.683 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H](C)c1ccccc1C ZINC001391540947 1355289271 /nfs/dbraw/zinc/28/92/71/1355289271.db2.gz ZJEAOBGQRNJDIU-BZSNNMDCSA-N 1 3 329.488 2.683 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001391564089 1355308896 /nfs/dbraw/zinc/30/88/96/1355308896.db2.gz MDCNBTQDFBFMKP-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001399487302 1361269713 /nfs/dbraw/zinc/26/97/13/1361269713.db2.gz WZCUSYZSYMTSAA-RTBURBONSA-N 1 3 349.494 2.792 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001399487302 1361269717 /nfs/dbraw/zinc/26/97/17/1361269717.db2.gz WZCUSYZSYMTSAA-RTBURBONSA-N 1 3 349.494 2.792 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)cccc1C ZINC001391693481 1355440121 /nfs/dbraw/zinc/44/01/21/1355440121.db2.gz ICYXOFFSAKAKPZ-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001391720296 1355463775 /nfs/dbraw/zinc/46/37/75/1355463775.db2.gz JOYMAVGWFCVYJW-HOCLYGCPSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399907014 1361568495 /nfs/dbraw/zinc/56/84/95/1361568495.db2.gz DCLTWEAKSAXJLZ-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399907014 1361568497 /nfs/dbraw/zinc/56/84/97/1361568497.db2.gz DCLTWEAKSAXJLZ-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1sccc1Cl ZINC001391747080 1355492506 /nfs/dbraw/zinc/49/25/06/1355492506.db2.gz YZBIYELWCVLTGN-IUODEOHRSA-N 1 3 345.940 2.972 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001399954263 1361606172 /nfs/dbraw/zinc/60/61/72/1361606172.db2.gz WXJXYZOUQIIFBW-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001399954263 1361606176 /nfs/dbraw/zinc/60/61/76/1361606176.db2.gz WXJXYZOUQIIFBW-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001399954253 1361606229 /nfs/dbraw/zinc/60/62/29/1361606229.db2.gz WXJXYZOUQIIFBW-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001399954253 1361606235 /nfs/dbraw/zinc/60/62/35/1361606235.db2.gz WXJXYZOUQIIFBW-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC001391841412 1355585021 /nfs/dbraw/zinc/58/50/21/1355585021.db2.gz IMIHLKYOFCSHMV-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001391916941 1355646671 /nfs/dbraw/zinc/64/66/71/1355646671.db2.gz KAPNZSPPVMHDDA-INIZCTEOSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cc2ccccc2o1 ZINC001391928802 1355656245 /nfs/dbraw/zinc/65/62/45/1355656245.db2.gz WMZUEIUELSOHKF-HNNXBMFYSA-N 1 3 343.471 2.759 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001391939542 1355665096 /nfs/dbraw/zinc/66/50/96/1355665096.db2.gz UBVVQWFYLXTAGM-AWEZNQCLSA-N 1 3 339.549 2.876 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001391940711 1355666436 /nfs/dbraw/zinc/66/64/36/1355666436.db2.gz VQNFUOATOZULBB-KRWDZBQOSA-N 1 3 333.520 2.815 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392070306 1355747688 /nfs/dbraw/zinc/74/76/88/1355747688.db2.gz GCDSHZXJNZIHLS-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392079108 1355753705 /nfs/dbraw/zinc/75/37/05/1355753705.db2.gz RYHFITCVHMCVLD-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392121624 1355784031 /nfs/dbraw/zinc/78/40/31/1355784031.db2.gz WEWVMVBRHBGRPV-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001392187615 1355842739 /nfs/dbraw/zinc/84/27/39/1355842739.db2.gz YWIDZVQSQLLZMP-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C[NH2+]CC1CCC1 ZINC001392200226 1355856676 /nfs/dbraw/zinc/85/66/76/1355856676.db2.gz XTNUACYVLDVJKP-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C[NH2+]CC1CCC1 ZINC001392200228 1355857074 /nfs/dbraw/zinc/85/70/74/1355857074.db2.gz XTNUACYVLDVJKP-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001392286413 1355943165 /nfs/dbraw/zinc/94/31/65/1355943165.db2.gz BDSOLZSMCNYHMH-OXQOHEQNSA-N 1 3 345.531 2.967 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001392286413 1355943167 /nfs/dbraw/zinc/94/31/67/1355943167.db2.gz BDSOLZSMCNYHMH-OXQOHEQNSA-N 1 3 345.531 2.967 20 0 EFADHO Cc1cc(C)c(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001392305096 1355962309 /nfs/dbraw/zinc/96/23/09/1355962309.db2.gz TUVNDTQIJGBSDY-UHFFFAOYSA-N 1 3 345.531 2.844 20 0 EFADHO C[C@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001392312645 1355969968 /nfs/dbraw/zinc/96/99/68/1355969968.db2.gz MJFLHVULFARVJS-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001436694120 1387283386 /nfs/dbraw/zinc/28/33/86/1387283386.db2.gz AUFLGJKHZKLQBA-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001436694120 1387283390 /nfs/dbraw/zinc/28/33/90/1387283390.db2.gz AUFLGJKHZKLQBA-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CCN2Cc2ccccc2F)C1 ZINC001392350812 1356013714 /nfs/dbraw/zinc/01/37/14/1356013714.db2.gz RUTICRPLZMBEMR-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001392512186 1356088030 /nfs/dbraw/zinc/08/80/30/1356088030.db2.gz OYQJTOCXWGWJPN-HUUCEWRRSA-N 1 3 337.483 2.959 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001392524309 1356097924 /nfs/dbraw/zinc/09/79/24/1356097924.db2.gz UFJOUPVWISITJZ-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)c1ccccc1Cl ZINC001392524309 1356097927 /nfs/dbraw/zinc/09/79/27/1356097927.db2.gz UFJOUPVWISITJZ-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1F ZINC001392595182 1356146145 /nfs/dbraw/zinc/14/61/45/1356146145.db2.gz WHWAIXOQOXPSGJ-HNNXBMFYSA-N 1 3 337.483 2.706 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392659527 1356205700 /nfs/dbraw/zinc/20/57/00/1356205700.db2.gz QQZCJJDXQHLENT-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392659527 1356205704 /nfs/dbraw/zinc/20/57/04/1356205704.db2.gz QQZCJJDXQHLENT-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001392716095 1356270790 /nfs/dbraw/zinc/27/07/90/1356270790.db2.gz FNXOKJKKNYXTGV-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001392716095 1356270793 /nfs/dbraw/zinc/27/07/93/1356270793.db2.gz FNXOKJKKNYXTGV-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718269 1356272803 /nfs/dbraw/zinc/27/28/03/1356272803.db2.gz CFSSSZLBZYHYJP-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718269 1356272806 /nfs/dbraw/zinc/27/28/06/1356272806.db2.gz CFSSSZLBZYHYJP-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001392726711 1356285362 /nfs/dbraw/zinc/28/53/62/1356285362.db2.gz YYYYAFQJPDEXRX-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001392726711 1356285365 /nfs/dbraw/zinc/28/53/65/1356285365.db2.gz YYYYAFQJPDEXRX-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001392795503 1356332701 /nfs/dbraw/zinc/33/27/01/1356332701.db2.gz CBJARRHRFDGOCB-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001392810704 1356345953 /nfs/dbraw/zinc/34/59/53/1356345953.db2.gz XPWWGJRLWHVWQC-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1 ZINC001392897715 1356414969 /nfs/dbraw/zinc/41/49/69/1356414969.db2.gz NEGHKRQJXYCBTP-ZAOIQFLMSA-N 1 3 341.499 2.811 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C(F)F)c2)CC1)N(C)C ZINC001392918577 1356430636 /nfs/dbraw/zinc/43/06/36/1356430636.db2.gz PVKCXVNZAHMLKA-OAHLLOKOSA-N 1 3 339.430 2.703 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC001392951151 1356459540 /nfs/dbraw/zinc/45/95/40/1356459540.db2.gz UWCSNRSFVODEKF-GOSISDBHSA-N 1 3 331.504 2.574 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001393041942 1356532461 /nfs/dbraw/zinc/53/24/61/1356532461.db2.gz WMUJOAUANZEPRB-GDOYXMMASA-N 1 3 338.455 2.635 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC001393049566 1356537441 /nfs/dbraw/zinc/53/74/41/1356537441.db2.gz BDOMUZPUYSBXPS-GOSISDBHSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cs1 ZINC001393067909 1356555566 /nfs/dbraw/zinc/55/55/66/1356555566.db2.gz LBSDCJKGHKNLNJ-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2ncccc2C)CC1 ZINC001393071076 1356558862 /nfs/dbraw/zinc/55/88/62/1356558862.db2.gz QEJOXNVZVPBWJC-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2ncccc2C)CC1 ZINC001393071076 1356558865 /nfs/dbraw/zinc/55/88/65/1356558865.db2.gz QEJOXNVZVPBWJC-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001393155796 1356661032 /nfs/dbraw/zinc/66/10/32/1356661032.db2.gz FGNPDNPSPSLOGT-UHYCVJNDSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC001393187689 1356695169 /nfs/dbraw/zinc/69/51/69/1356695169.db2.gz WTSABRSLHVYZMI-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001393594922 1356976713 /nfs/dbraw/zinc/97/67/13/1356976713.db2.gz LSCLRPBSFMRZLD-OALUTQOASA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001393594922 1356976716 /nfs/dbraw/zinc/97/67/16/1356976716.db2.gz LSCLRPBSFMRZLD-OALUTQOASA-N 1 3 331.504 2.540 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)CC2)CCC1 ZINC001393596408 1356979185 /nfs/dbraw/zinc/97/91/85/1356979185.db2.gz HJKASGQZLILPFE-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)CC2)CCC1 ZINC001393596408 1356979190 /nfs/dbraw/zinc/97/91/90/1356979190.db2.gz HJKASGQZLILPFE-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001393611601 1357000367 /nfs/dbraw/zinc/00/03/67/1357000367.db2.gz CFFKVWZEGGPCKT-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001393611601 1357000370 /nfs/dbraw/zinc/00/03/70/1357000370.db2.gz CFFKVWZEGGPCKT-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001393630995 1357025798 /nfs/dbraw/zinc/02/57/98/1357025798.db2.gz AKGZTRZEAHPFIZ-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001393630995 1357025802 /nfs/dbraw/zinc/02/58/02/1357025802.db2.gz AKGZTRZEAHPFIZ-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC(C)C)C2)N(C)C ZINC001394354409 1357729877 /nfs/dbraw/zinc/72/98/77/1357729877.db2.gz WYNJZAOHYIDSJD-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)CC(C)C)C2)N(C)C ZINC001394354409 1357729881 /nfs/dbraw/zinc/72/98/81/1357729881.db2.gz WYNJZAOHYIDSJD-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001394385604 1357757303 /nfs/dbraw/zinc/75/73/03/1357757303.db2.gz FFBOWXUCUYFZCS-MEMKZHQFSA-N 1 3 327.900 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCCCC1)N(C)C ZINC001402660132 1363902058 /nfs/dbraw/zinc/90/20/58/1363902058.db2.gz NINLMJPUWZPTDD-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1)N(C)C ZINC001402660132 1363902061 /nfs/dbraw/zinc/90/20/61/1363902061.db2.gz NINLMJPUWZPTDD-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001394385604 1357757300 /nfs/dbraw/zinc/75/73/00/1357757300.db2.gz FFBOWXUCUYFZCS-MEMKZHQFSA-N 1 3 327.900 2.535 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]Cc2ccc(F)cc2)C2CC2)CCC1 ZINC001394432045 1357809884 /nfs/dbraw/zinc/80/98/84/1357809884.db2.gz MDOLVQZAFXQOME-GOSISDBHSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001394488874 1357870074 /nfs/dbraw/zinc/87/00/74/1357870074.db2.gz KCHMATQQTFBBIL-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1C ZINC001394488841 1357870122 /nfs/dbraw/zinc/87/01/22/1357870122.db2.gz JFANFODHPTYQLU-KXBFYZLASA-N 1 3 349.519 2.526 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394488929 1357870351 /nfs/dbraw/zinc/87/03/51/1357870351.db2.gz LLJNMHKVVJEILB-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001394664199 1357982627 /nfs/dbraw/zinc/98/26/27/1357982627.db2.gz AYIDUCJEGXXCAE-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccc(CC)cc2)C[C@H]1C ZINC001394665865 1357984823 /nfs/dbraw/zinc/98/48/23/1357984823.db2.gz DZUWEJYSSNKBTQ-XLIONFOSSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394669642 1357986917 /nfs/dbraw/zinc/98/69/17/1357986917.db2.gz MVYKOMHZOAEISC-QAPCUYQASA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001394670097 1357988099 /nfs/dbraw/zinc/98/80/99/1357988099.db2.gz OWBAROJTIUMCHX-NKONXVNESA-N 1 3 335.879 2.693 20 0 EFADHO Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001394824302 1358122017 /nfs/dbraw/zinc/12/20/17/1358122017.db2.gz VVSRMKIRBXYXCH-MSOLQXFVSA-N 1 3 348.535 2.597 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001436844012 1387333720 /nfs/dbraw/zinc/33/37/20/1387333720.db2.gz FRQHORKXJBMKEC-FSNWXROXSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C/Cl)C1 ZINC001436844012 1387333730 /nfs/dbraw/zinc/33/37/30/1387333730.db2.gz FRQHORKXJBMKEC-FSNWXROXSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001436844021 1387333898 /nfs/dbraw/zinc/33/38/98/1387333898.db2.gz FRQHORKXJBMKEC-YXMGTMDOSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C/Cl)C1 ZINC001436844021 1387333905 /nfs/dbraw/zinc/33/39/05/1387333905.db2.gz FRQHORKXJBMKEC-YXMGTMDOSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001436844016 1387334222 /nfs/dbraw/zinc/33/42/22/1387334222.db2.gz FRQHORKXJBMKEC-HWYHOQROSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)C/C=C\Cl)C1 ZINC001436844016 1387334229 /nfs/dbraw/zinc/33/42/29/1387334229.db2.gz FRQHORKXJBMKEC-HWYHOQROSA-N 1 3 329.916 2.641 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437074701 1387396084 /nfs/dbraw/zinc/39/60/84/1387396084.db2.gz ZAZDTBUFIWPGBO-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437074701 1387396088 /nfs/dbraw/zinc/39/60/88/1387396088.db2.gz ZAZDTBUFIWPGBO-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001397081232 1359659627 /nfs/dbraw/zinc/65/96/27/1359659627.db2.gz OPCXFPCIBOXRFG-CEXWTWQISA-N 1 3 331.504 2.566 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001397091752 1359669219 /nfs/dbraw/zinc/66/92/19/1359669219.db2.gz COYISYGWEWOBDK-JENIJYKNSA-N 1 3 331.504 2.882 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001397093615 1359671096 /nfs/dbraw/zinc/67/10/96/1359671096.db2.gz APYQHNXPEKKOTM-ZNMIVQPWSA-N 1 3 349.441 2.686 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397093813 1359671443 /nfs/dbraw/zinc/67/14/43/1359671443.db2.gz DUBMQPRDMKKIKS-KJWYOANISA-N 1 3 335.467 2.711 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001397097823 1359675134 /nfs/dbraw/zinc/67/51/34/1359675134.db2.gz LTBDWMHUQYVYCP-MAEOIBBWSA-N 1 3 340.471 2.562 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001397128759 1359691835 /nfs/dbraw/zinc/69/18/35/1359691835.db2.gz ABAPDULWEZTMLL-QRFRQXIXSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001397142031 1359702095 /nfs/dbraw/zinc/70/20/95/1359702095.db2.gz GZYJLWMQNFMUNL-QAQDUYKDSA-N 1 3 332.492 2.715 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CCC[NH+](C)C)CCN(C/C=C\Cl)CC2 ZINC001397178878 1359728298 /nfs/dbraw/zinc/72/82/98/1359728298.db2.gz VACSARBWPAUNRG-MEMKZHQFSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CCC[NH+](C)C)CCN(C/C=C/Cl)CC2 ZINC001397178883 1359728373 /nfs/dbraw/zinc/72/83/73/1359728373.db2.gz VACSARBWPAUNRG-RDTXFTJFSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001397179500 1359728998 /nfs/dbraw/zinc/72/89/98/1359728998.db2.gz XHGVCOHVGVEVAF-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437149796 1387423526 /nfs/dbraw/zinc/42/35/26/1387423526.db2.gz UAQJKLHBAHDXDN-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001397596910 1359990250 /nfs/dbraw/zinc/99/02/50/1359990250.db2.gz WQJCHZOARHFQKX-ZCNNSNEGSA-N 1 3 345.531 2.874 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001397650486 1360026559 /nfs/dbraw/zinc/02/65/59/1360026559.db2.gz OPPNGRFAUQOCPV-JCNLHEQBSA-N 1 3 349.906 2.809 20 0 EFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397675607 1360042444 /nfs/dbraw/zinc/04/24/44/1360042444.db2.gz BRXLHIGCDALPRH-IPMKNSEASA-N 1 3 331.504 2.567 20 0 EFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397675607 1360042447 /nfs/dbraw/zinc/04/24/47/1360042447.db2.gz BRXLHIGCDALPRH-IPMKNSEASA-N 1 3 331.504 2.567 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001398203314 1360377098 /nfs/dbraw/zinc/37/70/98/1360377098.db2.gz JACWZZCMJOWZSM-APWZRJJASA-N 1 3 349.494 2.733 20 0 EFADHO C[C@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001398204211 1360377565 /nfs/dbraw/zinc/37/75/65/1360377565.db2.gz KLMXFYUNJDVLLL-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398210277 1360382815 /nfs/dbraw/zinc/38/28/15/1360382815.db2.gz UIJUZHPCFRAJOU-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001437202305 1387462119 /nfs/dbraw/zinc/46/21/19/1387462119.db2.gz GQSGJFPRHDTJSU-CABCVRRESA-N 1 3 337.483 2.959 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001398523334 1360623811 /nfs/dbraw/zinc/62/38/11/1360623811.db2.gz LQRIFJFYFHLAHM-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC001398535357 1360631256 /nfs/dbraw/zinc/63/12/56/1360631256.db2.gz KHSJSRQYVNGXGF-QWFCFKBJSA-N 1 3 339.483 2.917 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)cs1 ZINC001398550518 1360639893 /nfs/dbraw/zinc/63/98/93/1360639893.db2.gz BLFIUVBTVQCQPG-WKILWMFISA-N 1 3 337.533 2.771 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001398671370 1360702115 /nfs/dbraw/zinc/70/21/15/1360702115.db2.gz KHAMCJJLOVEDFG-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001398671370 1360702117 /nfs/dbraw/zinc/70/21/17/1360702117.db2.gz KHAMCJJLOVEDFG-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001437206718 1387469837 /nfs/dbraw/zinc/46/98/37/1387469837.db2.gz MCHNHPPHUMMZIF-GFCCVEGCSA-N 1 3 345.940 2.974 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001398940950 1360883844 /nfs/dbraw/zinc/88/38/44/1360883844.db2.gz RRUUPEVYZMMODX-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001398956066 1360894327 /nfs/dbraw/zinc/89/43/27/1360894327.db2.gz TTYNOXLDEQYNOY-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001437234815 1387487308 /nfs/dbraw/zinc/48/73/08/1387487308.db2.gz IKPRAVLSYZLSGA-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccccc1 ZINC001399175919 1361049222 /nfs/dbraw/zinc/04/92/22/1361049222.db2.gz XHXYRSUKOBGRIL-MRXNPFEDSA-N 1 3 325.456 2.656 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001399187819 1361055380 /nfs/dbraw/zinc/05/53/80/1361055380.db2.gz NSBGQNRBHTZXHR-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC001399246958 1361096754 /nfs/dbraw/zinc/09/67/54/1361096754.db2.gz MYIFHUFPSQEHFP-LJQANCHMSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001399257797 1361103868 /nfs/dbraw/zinc/10/38/68/1361103868.db2.gz ZPNANDDPEXACAH-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1nccs1 ZINC001399385837 1361186923 /nfs/dbraw/zinc/18/69/23/1361186923.db2.gz AXOZSBCDNAYFRU-CQSZACIVSA-N 1 3 346.500 2.503 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001399410934 1361204165 /nfs/dbraw/zinc/20/41/65/1361204165.db2.gz BZMWKYBXFOFDTA-WBMJQRKESA-N 1 3 325.522 2.690 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001399478649 1361261394 /nfs/dbraw/zinc/26/13/94/1361261394.db2.gz FCHDEBJAHPAWFN-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001399478649 1361261395 /nfs/dbraw/zinc/26/13/95/1361261395.db2.gz FCHDEBJAHPAWFN-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001399478796 1361261624 /nfs/dbraw/zinc/26/16/24/1361261624.db2.gz AMSKZUDODNBQJF-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001399478796 1361261628 /nfs/dbraw/zinc/26/16/28/1361261628.db2.gz AMSKZUDODNBQJF-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399483070 1361265809 /nfs/dbraw/zinc/26/58/09/1361265809.db2.gz MKVXWXRZKOMKMP-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399483070 1361265815 /nfs/dbraw/zinc/26/58/15/1361265815.db2.gz MKVXWXRZKOMKMP-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001399497029 1361280105 /nfs/dbraw/zinc/28/01/05/1361280105.db2.gz WSMYTPFTQMRBAI-QUCCMNQESA-N 1 3 345.531 2.741 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001399497029 1361280108 /nfs/dbraw/zinc/28/01/08/1361280108.db2.gz WSMYTPFTQMRBAI-QUCCMNQESA-N 1 3 345.531 2.741 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001399505215 1361286291 /nfs/dbraw/zinc/28/62/91/1361286291.db2.gz QCAMCGIXMAUITP-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001399505215 1361286294 /nfs/dbraw/zinc/28/62/94/1361286294.db2.gz QCAMCGIXMAUITP-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO CCCc1ccc(CN(C)CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001399509906 1361292463 /nfs/dbraw/zinc/29/24/63/1361292463.db2.gz CMCRBWKFDXOTGC-UHFFFAOYSA-N 1 3 343.515 2.816 20 0 EFADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CCc1ccc(Cl)cc1 ZINC001399509877 1361292496 /nfs/dbraw/zinc/29/24/96/1361292496.db2.gz BWBRRAPARNUJFS-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001399577758 1361345872 /nfs/dbraw/zinc/34/58/72/1361345872.db2.gz RTSFMKROILXQOD-IBGZPJMESA-N 1 3 327.472 2.728 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001399577758 1361345876 /nfs/dbraw/zinc/34/58/76/1361345876.db2.gz RTSFMKROILXQOD-IBGZPJMESA-N 1 3 327.472 2.728 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001399625350 1361383381 /nfs/dbraw/zinc/38/33/81/1361383381.db2.gz ZWBGEQVUXOZYFK-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)c1ccc(F)cc1 ZINC001399747014 1361475026 /nfs/dbraw/zinc/47/50/26/1361475026.db2.gz APPVWCRSYVZMCN-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H](C)c1ccc(F)cc1 ZINC001399747014 1361475029 /nfs/dbraw/zinc/47/50/29/1361475029.db2.gz APPVWCRSYVZMCN-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C1CC1 ZINC001399762503 1361484423 /nfs/dbraw/zinc/48/44/23/1361484423.db2.gz KKRIWRPCYKPKPN-QGZVFWFLSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C1CC1 ZINC001399762503 1361484430 /nfs/dbraw/zinc/48/44/30/1361484430.db2.gz KKRIWRPCYKPKPN-QGZVFWFLSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C1CC1 ZINC001399762499 1361484772 /nfs/dbraw/zinc/48/47/72/1361484772.db2.gz KKRIWRPCYKPKPN-KRWDZBQOSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C1CC1 ZINC001399762499 1361484774 /nfs/dbraw/zinc/48/47/74/1361484774.db2.gz KKRIWRPCYKPKPN-KRWDZBQOSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC001399874739 1361542585 /nfs/dbraw/zinc/54/25/85/1361542585.db2.gz PRTSVNSDJQNJKV-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC001399874739 1361542588 /nfs/dbraw/zinc/54/25/88/1361542588.db2.gz PRTSVNSDJQNJKV-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399906980 1361567231 /nfs/dbraw/zinc/56/72/31/1361567231.db2.gz DCLTWEAKSAXJLZ-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399906980 1361567235 /nfs/dbraw/zinc/56/72/35/1361567235.db2.gz DCLTWEAKSAXJLZ-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959465 1361613006 /nfs/dbraw/zinc/61/30/06/1361613006.db2.gz XXONHAJCCKXVNZ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959465 1361613010 /nfs/dbraw/zinc/61/30/10/1361613010.db2.gz XXONHAJCCKXVNZ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001399953658 1361607415 /nfs/dbraw/zinc/60/74/15/1361607415.db2.gz QOXBACNJDOUTCM-GOSISDBHSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001399953658 1361607418 /nfs/dbraw/zinc/60/74/18/1361607418.db2.gz QOXBACNJDOUTCM-GOSISDBHSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001400001817 1361654060 /nfs/dbraw/zinc/65/40/60/1361654060.db2.gz BAQNSJHFCCNMMK-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001400001817 1361654062 /nfs/dbraw/zinc/65/40/62/1361654062.db2.gz BAQNSJHFCCNMMK-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001400053403 1361700941 /nfs/dbraw/zinc/70/09/41/1361700941.db2.gz JLWGRBWHIMXQQF-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001400053403 1361700943 /nfs/dbraw/zinc/70/09/43/1361700943.db2.gz JLWGRBWHIMXQQF-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001400062727 1361707580 /nfs/dbraw/zinc/70/75/80/1361707580.db2.gz WYJIPACFCIXTQO-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccccc3F)C2)CCC1 ZINC001400160703 1361798928 /nfs/dbraw/zinc/79/89/28/1361798928.db2.gz YCGGQCDXJSAVKH-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3F)C2)CCC1 ZINC001400160703 1361798930 /nfs/dbraw/zinc/79/89/30/1361798930.db2.gz YCGGQCDXJSAVKH-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001400179247 1361818482 /nfs/dbraw/zinc/81/84/82/1361818482.db2.gz DNGXOWAXARUHOM-RBUKOAKNSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001400179247 1361818484 /nfs/dbraw/zinc/81/84/84/1361818484.db2.gz DNGXOWAXARUHOM-RBUKOAKNSA-N 1 3 331.504 2.601 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001400200474 1361839765 /nfs/dbraw/zinc/83/97/65/1361839765.db2.gz KHDHJMKTTLIXMY-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001400200474 1361839768 /nfs/dbraw/zinc/83/97/68/1361839768.db2.gz KHDHJMKTTLIXMY-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@H+](C)CCCF)CC2)c1 ZINC001400242669 1361877608 /nfs/dbraw/zinc/87/76/08/1361877608.db2.gz AGKJEZWEHGGTJZ-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@@H+](C)CCCF)CC2)c1 ZINC001400242669 1361877611 /nfs/dbraw/zinc/87/76/11/1361877611.db2.gz AGKJEZWEHGGTJZ-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001400247486 1361883331 /nfs/dbraw/zinc/88/33/31/1361883331.db2.gz COPZHZHEBUBJBP-LJQANCHMSA-N 1 3 345.531 2.945 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001400247486 1361883332 /nfs/dbraw/zinc/88/33/32/1361883332.db2.gz COPZHZHEBUBJBP-LJQANCHMSA-N 1 3 345.531 2.945 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400293571 1361912665 /nfs/dbraw/zinc/91/26/65/1361912665.db2.gz AAESXCRZHFHQCC-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001437323472 1387542513 /nfs/dbraw/zinc/54/25/13/1387542513.db2.gz NQMLWTDHYLYUOI-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO Cc1cccc(C)c1CN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001400517295 1362007723 /nfs/dbraw/zinc/00/77/23/1362007723.db2.gz AFCHARIBKWDFFL-UHFFFAOYSA-N 1 3 343.515 2.583 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+](CCC2CCCCCC2)C1)N(C)C ZINC001400537292 1362016611 /nfs/dbraw/zinc/01/66/11/1362016611.db2.gz YCDGSZIQCNGXMA-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001400623467 1362056037 /nfs/dbraw/zinc/05/60/37/1362056037.db2.gz CQWIOAXOCMNTKP-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001400623467 1362056039 /nfs/dbraw/zinc/05/60/39/1362056039.db2.gz CQWIOAXOCMNTKP-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC001400677845 1362088277 /nfs/dbraw/zinc/08/82/77/1362088277.db2.gz MNJDBYPQNMOFOY-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CC(C)C)cc2)C1 ZINC001400677845 1362088282 /nfs/dbraw/zinc/08/82/82/1362088282.db2.gz MNJDBYPQNMOFOY-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001400688800 1362096318 /nfs/dbraw/zinc/09/63/18/1362096318.db2.gz DZIIEUICTRQQGB-MJGOQNOKSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001400688800 1362096321 /nfs/dbraw/zinc/09/63/21/1362096321.db2.gz DZIIEUICTRQQGB-MJGOQNOKSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001400737379 1362129545 /nfs/dbraw/zinc/12/95/45/1362129545.db2.gz FPGKYDVVBRWRED-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001400737392 1362129905 /nfs/dbraw/zinc/12/99/05/1362129905.db2.gz FPGKYDVVBRWRED-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001437330390 1387553025 /nfs/dbraw/zinc/55/30/25/1387553025.db2.gz LNTIIFIKJDTGRJ-RBUKOAKNSA-N 1 3 343.515 2.996 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@@H](CC)c1ccccc1 ZINC001400909787 1362249099 /nfs/dbraw/zinc/24/90/99/1362249099.db2.gz VEOVISMTLSEDJU-SJORKVTESA-N 1 3 328.460 2.896 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001437341214 1387564357 /nfs/dbraw/zinc/56/43/57/1387564357.db2.gz ZCOPVVKBWXGKHZ-IAGOWNOFSA-N 1 3 337.533 2.915 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001401001545 1362345339 /nfs/dbraw/zinc/34/53/39/1362345339.db2.gz CUUOKPSCAVYHAE-AZUAARDMSA-N 1 3 331.504 2.710 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001401029636 1362379013 /nfs/dbraw/zinc/37/90/13/1362379013.db2.gz FTEHLUFNOOFYKS-RBSFLKMASA-N 1 3 349.441 2.830 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001401110471 1362448835 /nfs/dbraw/zinc/44/88/35/1362448835.db2.gz QZABSDLILRUVBT-DNVCBOLYSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001401133830 1362470571 /nfs/dbraw/zinc/47/05/71/1362470571.db2.gz GLUTVINOTBTLLV-DOMZBBRYSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001401180231 1362515192 /nfs/dbraw/zinc/51/51/92/1362515192.db2.gz CYNUWQUUUATWQL-LSDHHAIUSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC(F)(F)C1)N1CCCCCC1 ZINC001401180226 1362515330 /nfs/dbraw/zinc/51/53/30/1362515330.db2.gz CYNUWQUUUATWQL-HUUCEWRRSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)CCC[NH+](C)C ZINC001401240095 1362577779 /nfs/dbraw/zinc/57/77/79/1362577779.db2.gz PBQYQOIJBKSBRM-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240528 1362578874 /nfs/dbraw/zinc/57/88/74/1362578874.db2.gz HOBWRRMQNGBFAS-GJZGRUSLSA-N 1 3 340.471 2.639 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001401242984 1362580590 /nfs/dbraw/zinc/58/05/90/1362580590.db2.gz PLCXZZVPHXDROV-QFBILLFUSA-N 1 3 347.503 2.505 20 0 EFADHO COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)ccc1C ZINC001401242149 1362580862 /nfs/dbraw/zinc/58/08/62/1362580862.db2.gz FEJKRBBYASFTTN-QFBILLFUSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001401247745 1362587033 /nfs/dbraw/zinc/58/70/33/1362587033.db2.gz PDYNATHSQSKGKO-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001401254819 1362594437 /nfs/dbraw/zinc/59/44/37/1362594437.db2.gz IZBLTUSOSWNRDV-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001401258433 1362598688 /nfs/dbraw/zinc/59/86/88/1362598688.db2.gz LJCSXNXTICEMOP-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001401288489 1362635170 /nfs/dbraw/zinc/63/51/70/1362635170.db2.gz DLDWHJIIMJFGCX-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001401299073 1362645149 /nfs/dbraw/zinc/64/51/49/1362645149.db2.gz RENGVUMCWJPQMC-GFXFGIRVSA-N 1 3 343.943 2.934 20 0 EFADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001401304574 1362649345 /nfs/dbraw/zinc/64/93/45/1362649345.db2.gz KKBBEUHQKGUENT-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001401304574 1362649349 /nfs/dbraw/zinc/64/93/49/1362649349.db2.gz KKBBEUHQKGUENT-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c(C)c1 ZINC001401378990 1362730116 /nfs/dbraw/zinc/73/01/16/1362730116.db2.gz VNBVAXFOBMHYOH-FQEVSTJZSA-N 1 3 345.531 2.986 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c(C)c1 ZINC001401378990 1362730119 /nfs/dbraw/zinc/73/01/19/1362730119.db2.gz VNBVAXFOBMHYOH-FQEVSTJZSA-N 1 3 345.531 2.986 20 0 EFADHO CCc1ccccc1CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401441874 1362807201 /nfs/dbraw/zinc/80/72/01/1362807201.db2.gz QTZHKPIYCDQPLB-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CN(CCN(C)C(=O)CC[NH+]1CCCCC1)Cc1ccc(CF)cc1 ZINC001401444193 1362816134 /nfs/dbraw/zinc/81/61/34/1362816134.db2.gz XYOZBBSJZKSBLG-UHFFFAOYSA-N 1 3 349.494 2.922 20 0 EFADHO CN(CCc1ccccc1F)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001401445446 1362817888 /nfs/dbraw/zinc/81/78/88/1362817888.db2.gz ZBHYSJWMZJLTAV-UHFFFAOYSA-N 1 3 349.494 2.634 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)CN1CC[C@H](C)C1 ZINC001401605454 1362966325 /nfs/dbraw/zinc/96/63/25/1362966325.db2.gz SQFHVWNNQSKFKI-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401623609 1362979254 /nfs/dbraw/zinc/97/92/54/1362979254.db2.gz BMPMXRISGABVJW-OLZOCXBDSA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001401645783 1362995967 /nfs/dbraw/zinc/99/59/67/1362995967.db2.gz BIUPFVUUPUCPDK-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001401686931 1363025848 /nfs/dbraw/zinc/02/58/48/1363025848.db2.gz SBATUTSENCKDRV-KBXCAEBGSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001401688097 1363027039 /nfs/dbraw/zinc/02/70/39/1363027039.db2.gz PHQWLRGZNNXZLK-DCGLDWPTSA-N 1 3 341.446 2.706 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001401718190 1363050558 /nfs/dbraw/zinc/05/05/58/1363050558.db2.gz CZPKZHUQPBMBJJ-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767926 1363104885 /nfs/dbraw/zinc/10/48/85/1363104885.db2.gz LVGHYUFOHUEKCH-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767926 1363104888 /nfs/dbraw/zinc/10/48/88/1363104888.db2.gz LVGHYUFOHUEKCH-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769746 1363106496 /nfs/dbraw/zinc/10/64/96/1363106496.db2.gz NFGMLVGEAXJNDV-SAYIFAPPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769746 1363106498 /nfs/dbraw/zinc/10/64/98/1363106498.db2.gz NFGMLVGEAXJNDV-SAYIFAPPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401776243 1363114172 /nfs/dbraw/zinc/11/41/72/1363114172.db2.gz CRPNAQHOMJBFOH-KSSFIOAISA-N 1 3 347.478 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1)[NH+](C)C ZINC001401780741 1363120712 /nfs/dbraw/zinc/12/07/12/1363120712.db2.gz LKTWNJBRZZVVFW-FHMCCYLLSA-N 1 3 331.504 2.723 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001401792559 1363136698 /nfs/dbraw/zinc/13/66/98/1363136698.db2.gz CHJMJNHVPFKJOC-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001401792559 1363136700 /nfs/dbraw/zinc/13/67/00/1363136700.db2.gz CHJMJNHVPFKJOC-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001401839531 1363178599 /nfs/dbraw/zinc/17/85/99/1363178599.db2.gz FVTUOJHHOMGKCY-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)c1 ZINC001401859956 1363194609 /nfs/dbraw/zinc/19/46/09/1363194609.db2.gz CVUBWWMHVDQFME-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC/C=C/c2ccccc2)CC1 ZINC001401907589 1363231897 /nfs/dbraw/zinc/23/18/97/1363231897.db2.gz UDYFOJXFCLBHTF-MRSBXDGLSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001401947073 1363267058 /nfs/dbraw/zinc/26/70/58/1363267058.db2.gz ABIPZJSZJRGXRQ-UHFFFAOYSA-N 1 3 349.906 2.871 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001402004446 1363323744 /nfs/dbraw/zinc/32/37/44/1363323744.db2.gz OKOSYPUVDSFIRE-SIHDSBSPSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001402004446 1363323747 /nfs/dbraw/zinc/32/37/47/1363323747.db2.gz OKOSYPUVDSFIRE-SIHDSBSPSA-N 1 3 339.911 2.536 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001402077844 1363382004 /nfs/dbraw/zinc/38/20/04/1363382004.db2.gz POXBLGVCMKRXSX-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001402160297 1363467738 /nfs/dbraw/zinc/46/77/38/1363467738.db2.gz QTSBQUSZDFCHMH-HXUWFJFHSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001402169309 1363477251 /nfs/dbraw/zinc/47/72/51/1363477251.db2.gz GTHCVJAQAWKEQV-OAQYLSRUSA-N 1 3 345.531 2.973 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nsc2ccccc12)N(C)C ZINC001437418695 1387629051 /nfs/dbraw/zinc/62/90/51/1387629051.db2.gz PJXBSZFOQKBYQE-CJNGLKHVSA-N 1 3 348.516 2.621 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001402367021 1363627314 /nfs/dbraw/zinc/62/73/14/1363627314.db2.gz CAHHRXAYVVJNHZ-PMACEKPBSA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001402411496 1363670439 /nfs/dbraw/zinc/67/04/39/1363670439.db2.gz PHGCTUXZTIJJFY-ZKJCDFIUSA-N 1 3 337.552 2.885 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCc2ccc(C)cc2)C1 ZINC001402430909 1363688403 /nfs/dbraw/zinc/68/84/03/1363688403.db2.gz PFMWJVNSFVNIFZ-AZUAARDMSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCc2ccc(C)cc2)C1 ZINC001402430936 1363688709 /nfs/dbraw/zinc/68/87/09/1363688709.db2.gz PFMWJVNSFVNIFZ-QUCCMNQESA-N 1 3 345.531 2.706 20 0 EFADHO C[C@H](NCCF)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001402496289 1363739787 /nfs/dbraw/zinc/73/97/87/1363739787.db2.gz MCSDEZRVFVTTJX-HNNXBMFYSA-N 1 3 333.451 2.551 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC001402509880 1363750639 /nfs/dbraw/zinc/75/06/39/1363750639.db2.gz CRZJBBGCWSEZEW-JPLJXNOCSA-N 1 3 343.515 2.684 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001402631787 1363859815 /nfs/dbraw/zinc/85/98/15/1363859815.db2.gz KQTZHDATEIIIPF-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001402631787 1363859818 /nfs/dbraw/zinc/85/98/18/1363859818.db2.gz KQTZHDATEIIIPF-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001402684022 1363934075 /nfs/dbraw/zinc/93/40/75/1363934075.db2.gz JAGJDYBNIDBTPQ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001402684022 1363934080 /nfs/dbraw/zinc/93/40/80/1363934080.db2.gz JAGJDYBNIDBTPQ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001402792855 1364039339 /nfs/dbraw/zinc/03/93/39/1364039339.db2.gz UEZRXYULXCDMAR-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C(C)C)(c2ccccc2)CC1)N(C)C ZINC001402794750 1364041554 /nfs/dbraw/zinc/04/15/54/1364041554.db2.gz JVHZHOIQRYZBAF-IBGZPJMESA-N 1 3 345.531 2.885 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001402800390 1364048462 /nfs/dbraw/zinc/04/84/62/1364048462.db2.gz DNGGPEDWMSPOGL-LFAQGZIKSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001402800390 1364048466 /nfs/dbraw/zinc/04/84/66/1364048466.db2.gz DNGGPEDWMSPOGL-LFAQGZIKSA-N 1 3 343.515 2.689 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21)[NH+](C)C ZINC001402800873 1364048865 /nfs/dbraw/zinc/04/88/65/1364048865.db2.gz JFLSGQDMFGNAAF-QZCFVMSDSA-N 1 3 347.478 2.519 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001402809769 1364056887 /nfs/dbraw/zinc/05/68/87/1364056887.db2.gz COZGVOIMKMKOJU-APWZRJJASA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001402809769 1364056890 /nfs/dbraw/zinc/05/68/90/1364056890.db2.gz COZGVOIMKMKOJU-APWZRJJASA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001402809770 1364057111 /nfs/dbraw/zinc/05/71/11/1364057111.db2.gz COZGVOIMKMKOJU-LPHOPBHVSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001402809770 1364057116 /nfs/dbraw/zinc/05/71/16/1364057116.db2.gz COZGVOIMKMKOJU-LPHOPBHVSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)cc1Cl ZINC001402819574 1364066243 /nfs/dbraw/zinc/06/62/43/1364066243.db2.gz OXJUOSOVJGLBSQ-BLLLJJGKSA-N 1 3 341.858 2.558 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]CCc3cccs3)CC2)CCC1 ZINC001402830882 1364076991 /nfs/dbraw/zinc/07/69/91/1364076991.db2.gz GRIVLIXYSWVWIX-UHFFFAOYSA-N 1 3 349.544 2.792 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001402854101 1364093664 /nfs/dbraw/zinc/09/36/64/1364093664.db2.gz ZCZIBAXTGTXBML-SUMWQHHRSA-N 1 3 341.446 2.535 20 0 EFADHO COc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1 ZINC001402917128 1364133235 /nfs/dbraw/zinc/13/32/35/1364133235.db2.gz ICFDLLHIWSQBFK-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001402940617 1364149724 /nfs/dbraw/zinc/14/97/24/1364149724.db2.gz UKDRKBZVTCQZEB-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001402981503 1364179052 /nfs/dbraw/zinc/17/90/52/1364179052.db2.gz OKQMCIJZDMLBHY-UONOGXRCSA-N 1 3 337.895 2.837 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001437462665 1387667311 /nfs/dbraw/zinc/66/73/11/1387667311.db2.gz JJXKDIFFTKXKTG-ZTFGCOKTSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437462665 1387667317 /nfs/dbraw/zinc/66/73/17/1387667317.db2.gz JJXKDIFFTKXKTG-ZTFGCOKTSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403023284 1364225163 /nfs/dbraw/zinc/22/51/63/1364225163.db2.gz IERKGHBGARLPGM-CQSZACIVSA-N 1 3 337.895 2.727 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001403097814 1364303973 /nfs/dbraw/zinc/30/39/73/1364303973.db2.gz HMFHVIWSLURCJL-QWHCGFSZSA-N 1 3 343.874 2.976 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403161706 1364381419 /nfs/dbraw/zinc/38/14/19/1364381419.db2.gz CWEUPTHILJQXCJ-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403161706 1364381424 /nfs/dbraw/zinc/38/14/24/1364381424.db2.gz CWEUPTHILJQXCJ-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001403198158 1364425959 /nfs/dbraw/zinc/42/59/59/1364425959.db2.gz VTFPUVRIYGHDCH-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc(C)sc1C ZINC001403198158 1364425963 /nfs/dbraw/zinc/42/59/63/1364425963.db2.gz VTFPUVRIYGHDCH-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)cc1 ZINC001403258964 1364470698 /nfs/dbraw/zinc/47/06/98/1364470698.db2.gz NJFNGXCLRUYDEQ-LJQANCHMSA-N 1 3 342.487 2.924 20 0 EFADHO CCCC[C@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001403280543 1364494733 /nfs/dbraw/zinc/49/47/33/1364494733.db2.gz INUGLTDVDOVCMB-GOSISDBHSA-N 1 3 349.494 2.932 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001403292120 1364507491 /nfs/dbraw/zinc/50/74/91/1364507491.db2.gz MDIZPCJKKXELCO-QWHCGFSZSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001403296636 1364513094 /nfs/dbraw/zinc/51/30/94/1364513094.db2.gz XHEMBQLQVUFTGZ-HOTGVXAUSA-N 1 3 337.533 2.649 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001403303811 1364520864 /nfs/dbraw/zinc/52/08/64/1364520864.db2.gz BEWGIDQNFXLKKO-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001403303811 1364520868 /nfs/dbraw/zinc/52/08/68/1364520868.db2.gz BEWGIDQNFXLKKO-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2c(C)cccc2C)C1 ZINC001403355545 1364567003 /nfs/dbraw/zinc/56/70/03/1364567003.db2.gz QEENCXGJWXMQCQ-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001403407041 1364611153 /nfs/dbraw/zinc/61/11/53/1364611153.db2.gz OSVYKXOBLOWACP-CYBMUJFWSA-N 1 3 337.533 2.834 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001403421495 1364626427 /nfs/dbraw/zinc/62/64/27/1364626427.db2.gz WJAIFAXOYZPEOJ-MJGOQNOKSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001403477128 1364682407 /nfs/dbraw/zinc/68/24/07/1364682407.db2.gz YUXXTQPNSACXKR-ZDUSSCGKSA-N 1 3 348.878 2.907 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCc2ccc(C)cc2)CC1 ZINC001403483053 1364689182 /nfs/dbraw/zinc/68/91/82/1364689182.db2.gz JHEHWLWTACXWJS-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCc2ccc(C)cc2)CC1 ZINC001403483053 1364689186 /nfs/dbraw/zinc/68/91/86/1364689186.db2.gz JHEHWLWTACXWJS-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001403568235 1364770459 /nfs/dbraw/zinc/77/04/59/1364770459.db2.gz BRZXDEZJNODJRG-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001403594027 1364798013 /nfs/dbraw/zinc/79/80/13/1364798013.db2.gz NTBUWNPPNCGDCY-KRWDZBQOSA-N 1 3 333.520 2.644 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc2ccccc2c1 ZINC001403662028 1364853475 /nfs/dbraw/zinc/85/34/75/1364853475.db2.gz JIQSGKSMOMPJAB-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO C[C@H](C(=O)NCCN(C)CCc1ccccc1F)[NH+]1CCCCCC1 ZINC001403684282 1364862355 /nfs/dbraw/zinc/86/23/55/1364862355.db2.gz FQKOQNFHZGUJCQ-QGZVFWFLSA-N 1 3 349.494 2.681 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001403702873 1364875984 /nfs/dbraw/zinc/87/59/84/1364875984.db2.gz MCBGBRSBIVESEW-IBGZPJMESA-N 1 3 349.494 2.967 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001403702873 1364875988 /nfs/dbraw/zinc/87/59/88/1364875988.db2.gz MCBGBRSBIVESEW-IBGZPJMESA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001403767648 1364914405 /nfs/dbraw/zinc/91/44/05/1364914405.db2.gz WYQGYJXTEAAHFZ-INIZCTEOSA-N 1 3 331.504 2.626 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001403767648 1364914407 /nfs/dbraw/zinc/91/44/07/1364914407.db2.gz WYQGYJXTEAAHFZ-INIZCTEOSA-N 1 3 331.504 2.626 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)[C@H]1C ZINC001403772717 1364921192 /nfs/dbraw/zinc/92/11/92/1364921192.db2.gz QDJBZCODFHQKCO-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001403780467 1364931254 /nfs/dbraw/zinc/93/12/54/1364931254.db2.gz XOCWFESTOLRDMB-CHWSQXEVSA-N 1 3 336.307 2.616 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@H]1C ZINC001403780467 1364931258 /nfs/dbraw/zinc/93/12/58/1364931258.db2.gz XOCWFESTOLRDMB-CHWSQXEVSA-N 1 3 336.307 2.616 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001403813275 1364968594 /nfs/dbraw/zinc/96/85/94/1364968594.db2.gz NORVQXWWZDONIZ-QFBILLFUSA-N 1 3 331.504 2.892 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001403885590 1365016347 /nfs/dbraw/zinc/01/63/47/1365016347.db2.gz HNPPMKNPUCMRGW-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437515577 1387716596 /nfs/dbraw/zinc/71/65/96/1387716596.db2.gz BKXJDTIRORRGTC-IRXDYDNUSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437515577 1387716600 /nfs/dbraw/zinc/71/66/00/1387716600.db2.gz BKXJDTIRORRGTC-IRXDYDNUSA-N 1 3 343.515 2.626 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1C ZINC001403948865 1365090522 /nfs/dbraw/zinc/09/05/22/1365090522.db2.gz KRCZUSDABFSSLT-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1C ZINC001403948865 1365090529 /nfs/dbraw/zinc/09/05/29/1365090529.db2.gz KRCZUSDABFSSLT-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(F)cc1C ZINC001403949638 1365091820 /nfs/dbraw/zinc/09/18/20/1365091820.db2.gz LQNWKUMWBXQMKA-UHFFFAOYSA-N 1 3 349.494 2.948 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001404070197 1365229907 /nfs/dbraw/zinc/22/99/07/1365229907.db2.gz FDHVOIBAVYYNMI-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001404070197 1365229910 /nfs/dbraw/zinc/22/99/10/1365229910.db2.gz FDHVOIBAVYYNMI-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001404084268 1365244506 /nfs/dbraw/zinc/24/45/06/1365244506.db2.gz OWLOAIUMHGGCNG-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001404084268 1365244511 /nfs/dbraw/zinc/24/45/11/1365244511.db2.gz OWLOAIUMHGGCNG-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404091441 1365252773 /nfs/dbraw/zinc/25/27/73/1365252773.db2.gz VCFJRXLTSTYVTR-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404091441 1365252775 /nfs/dbraw/zinc/25/27/75/1365252775.db2.gz VCFJRXLTSTYVTR-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cc2ccccc2o1 ZINC001404167996 1365322836 /nfs/dbraw/zinc/32/28/36/1365322836.db2.gz BAXDWCVEJTWRBN-KRWDZBQOSA-N 1 3 343.471 2.713 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cc2ccccc2o1 ZINC001404167996 1365322839 /nfs/dbraw/zinc/32/28/39/1365322839.db2.gz BAXDWCVEJTWRBN-KRWDZBQOSA-N 1 3 343.471 2.713 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)[C@H](C)c2ccccc2)CC1 ZINC001437537151 1387739203 /nfs/dbraw/zinc/73/92/03/1387739203.db2.gz JANVYHRFCVGHFF-QGZVFWFLSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c(C)c1 ZINC001437538007 1387740413 /nfs/dbraw/zinc/74/04/13/1387740413.db2.gz MZMOIKAAGIYGFV-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001404341548 1365462081 /nfs/dbraw/zinc/46/20/81/1365462081.db2.gz VKOYOOZCYHGGQN-PWZFOLRSSA-N 1 3 329.916 2.542 20 0 EFADHO CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001404514090 1365616130 /nfs/dbraw/zinc/61/61/30/1365616130.db2.gz VBHQAQGVURWZOZ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001404514090 1365616134 /nfs/dbraw/zinc/61/61/34/1365616134.db2.gz VBHQAQGVURWZOZ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001404710034 1365784857 /nfs/dbraw/zinc/78/48/57/1365784857.db2.gz XFOANRSMXZOVNN-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001404710034 1365784860 /nfs/dbraw/zinc/78/48/60/1365784860.db2.gz XFOANRSMXZOVNN-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001404887943 1365881948 /nfs/dbraw/zinc/88/19/48/1365881948.db2.gz BVJHKARLTGPBDY-LJQANCHMSA-N 1 3 349.494 2.531 20 0 EFADHO CC(C)(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001404980755 1365950726 /nfs/dbraw/zinc/95/07/26/1365950726.db2.gz AECGVMKJLWJRTJ-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405112230 1366030236 /nfs/dbraw/zinc/03/02/36/1366030236.db2.gz JSNYIMGNZVCMPF-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001405141724 1366053251 /nfs/dbraw/zinc/05/32/51/1366053251.db2.gz GMFIVWGPQCOXMW-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)CC1 ZINC001405474265 1366225947 /nfs/dbraw/zinc/22/59/47/1366225947.db2.gz RXHZYSBNEAJQAC-FQEVSTJZSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001405519347 1366263883 /nfs/dbraw/zinc/26/38/83/1366263883.db2.gz DIAMPAOLJZBTBS-DJIMGWMZSA-N 1 3 334.508 2.960 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001405558662 1366294168 /nfs/dbraw/zinc/29/41/68/1366294168.db2.gz JGTMULIKDCOSCS-QVNOTHCHSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001405558662 1366294172 /nfs/dbraw/zinc/29/41/72/1366294172.db2.gz JGTMULIKDCOSCS-QVNOTHCHSA-N 1 3 341.927 2.832 20 0 EFADHO C[NH+]1CCC(CC(=O)NCCC2CCN(C/C=C/Cl)CC2)CC1 ZINC001405562159 1366297187 /nfs/dbraw/zinc/29/71/87/1366297187.db2.gz XLGDFBSXTNOZAV-KRXBUXKQSA-N 1 3 341.927 2.689 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1C1CC1 ZINC001405665337 1366327411 /nfs/dbraw/zinc/32/74/11/1366327411.db2.gz HUPCBCLDBZURHO-MRXNPFEDSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001405665169 1366327530 /nfs/dbraw/zinc/32/75/30/1366327530.db2.gz HKYNHZVHYYQTHI-SJORKVTESA-N 1 3 331.504 2.882 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001405666618 1366327946 /nfs/dbraw/zinc/32/79/46/1366327946.db2.gz GSVMFOOVMYCRSA-XLIONFOSSA-N 1 3 345.531 2.964 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001405671466 1366329671 /nfs/dbraw/zinc/32/96/71/1366329671.db2.gz FIWQNPURFPEIGM-QAPCUYQASA-N 1 3 335.467 2.542 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1F ZINC001405681067 1366333698 /nfs/dbraw/zinc/33/36/98/1366333698.db2.gz YIBIJJBZYDRDEE-DNVCBOLYSA-N 1 3 349.494 2.849 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001405788661 1366416681 /nfs/dbraw/zinc/41/66/81/1366416681.db2.gz JGWSPKJSJDTRBK-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001405792773 1366419327 /nfs/dbraw/zinc/41/93/27/1366419327.db2.gz RBJHSSAYJNXXRC-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405818153 1366436905 /nfs/dbraw/zinc/43/69/05/1366436905.db2.gz ADHIISZXNDOYEE-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405818161 1366437209 /nfs/dbraw/zinc/43/72/09/1366437209.db2.gz ADHIISZXNDOYEE-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001405883753 1366489920 /nfs/dbraw/zinc/48/99/20/1366489920.db2.gz FEUCVHLJUXXZRB-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCCN1C)CC(C)C ZINC001477435175 1397534396 /nfs/dbraw/zinc/53/43/96/1397534396.db2.gz BBWCMEPZQXYONO-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001405959953 1367008698 /nfs/dbraw/zinc/00/86/98/1367008698.db2.gz DGXUZGXUQANHJW-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1)C1CCC1 ZINC001405977416 1367039982 /nfs/dbraw/zinc/03/99/82/1367039982.db2.gz XLPMQSPCFMBSMW-ONNFQVAWSA-N 1 3 341.927 2.784 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1)C1CCC1 ZINC001405977416 1367039990 /nfs/dbraw/zinc/03/99/90/1367039990.db2.gz XLPMQSPCFMBSMW-ONNFQVAWSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001406008134 1367085575 /nfs/dbraw/zinc/08/55/75/1367085575.db2.gz VTFHFVGWNMFHIR-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)c1 ZINC001406035746 1367124049 /nfs/dbraw/zinc/12/40/49/1367124049.db2.gz NEHSQSYLAPEQFQ-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(C)C ZINC001406059523 1367160971 /nfs/dbraw/zinc/16/09/71/1367160971.db2.gz DFOIYGDKIGWPGT-RTBURBONSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C(C)C)N(C)C ZINC001406074764 1367185857 /nfs/dbraw/zinc/18/58/57/1367185857.db2.gz XPGPXPKDVVUEKK-PMACEKPBSA-N 1 3 345.531 2.746 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001406118309 1367260863 /nfs/dbraw/zinc/26/08/63/1367260863.db2.gz AWNNHBANOUYPFQ-OAHLLOKOSA-N 1 3 335.467 2.619 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cs1 ZINC001406479431 1367630650 /nfs/dbraw/zinc/63/06/50/1367630650.db2.gz FWQVKGHAZSFZCM-AWEZNQCLSA-N 1 3 337.533 2.915 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001406554126 1367719345 /nfs/dbraw/zinc/71/93/45/1367719345.db2.gz CZHWQGZWJJUXGD-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001406646975 1367861046 /nfs/dbraw/zinc/86/10/46/1367861046.db2.gz HGFWLJKANVRUSH-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001406652173 1367870246 /nfs/dbraw/zinc/87/02/46/1367870246.db2.gz MSPSDZYXMQVYFT-ZDUSSCGKSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001406685312 1367920397 /nfs/dbraw/zinc/92/03/97/1367920397.db2.gz XDDXTCXYEBKWEO-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001406685312 1367920401 /nfs/dbraw/zinc/92/04/01/1367920401.db2.gz XDDXTCXYEBKWEO-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001406689117 1367925918 /nfs/dbraw/zinc/92/59/18/1367925918.db2.gz QQSUYRLPIBKWOO-QGZVFWFLSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001406698970 1367942243 /nfs/dbraw/zinc/94/22/43/1367942243.db2.gz SZHDAJIXSVSLMV-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001406698970 1367942246 /nfs/dbraw/zinc/94/22/46/1367942246.db2.gz SZHDAJIXSVSLMV-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccc(F)cc1 ZINC001406770613 1368027690 /nfs/dbraw/zinc/02/76/90/1368027690.db2.gz GVWZWBRUZATHEW-KUHUBIRLSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC001406784172 1368045649 /nfs/dbraw/zinc/04/56/49/1368045649.db2.gz JEUUFGLDKZLABU-RBUKOAKNSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC001406783455 1368046530 /nfs/dbraw/zinc/04/65/30/1368046530.db2.gz JEUUFGLDKZLABU-MOPGFXCFSA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1)N(C)C ZINC001406784886 1368047457 /nfs/dbraw/zinc/04/74/57/1368047457.db2.gz BZRQSEGHRHSMIR-KGLIPLIRSA-N 1 3 343.924 2.726 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H](CNCc1ccccc1F)C1CC1 ZINC001406840677 1368115204 /nfs/dbraw/zinc/11/52/04/1368115204.db2.gz ZSIATDVXCIHAOY-LJQANCHMSA-N 1 3 347.478 2.686 20 0 EFADHO CCc1cccc(CN(CC)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001492956199 1368145318 /nfs/dbraw/zinc/14/53/18/1368145318.db2.gz GNRNQACSXRZIEP-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(CN(CC)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001492956199 1368145321 /nfs/dbraw/zinc/14/53/21/1368145321.db2.gz GNRNQACSXRZIEP-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001406884910 1368166488 /nfs/dbraw/zinc/16/64/88/1368166488.db2.gz NZVGZUTXKGPVAI-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001406884910 1368166495 /nfs/dbraw/zinc/16/64/95/1368166495.db2.gz NZVGZUTXKGPVAI-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c(C)s1 ZINC001406918630 1368211812 /nfs/dbraw/zinc/21/18/12/1368211812.db2.gz MPPBRCHPCPFLEB-QGZVFWFLSA-N 1 3 349.544 2.976 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCc2ccccc2)CC1 ZINC001406977006 1368270547 /nfs/dbraw/zinc/27/05/47/1368270547.db2.gz NRNRDEOEWHRUGY-LJQANCHMSA-N 1 3 343.515 2.730 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001407028096 1368347701 /nfs/dbraw/zinc/34/77/01/1368347701.db2.gz YYQCOHSMFZSORH-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001407028096 1368347710 /nfs/dbraw/zinc/34/77/10/1368347710.db2.gz YYQCOHSMFZSORH-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001407084472 1368407516 /nfs/dbraw/zinc/40/75/16/1368407516.db2.gz HHGAOSXTZJNEDH-AEFFLSMTSA-N 1 3 346.519 2.529 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]CC)c1ccc2ccccc2c1 ZINC001407145753 1368490220 /nfs/dbraw/zinc/49/02/20/1368490220.db2.gz YGIXNPUOGQQBRE-LJQANCHMSA-N 1 3 327.472 2.948 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001437688523 1387943365 /nfs/dbraw/zinc/94/33/65/1387943365.db2.gz PQBPTMREKCWEKR-UYAOXDASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001437688523 1387943371 /nfs/dbraw/zinc/94/33/71/1387943371.db2.gz PQBPTMREKCWEKR-UYAOXDASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407242208 1368637387 /nfs/dbraw/zinc/63/73/87/1368637387.db2.gz UMWVGQJXQZEZPY-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@](C)(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001407310431 1368745120 /nfs/dbraw/zinc/74/51/20/1368745120.db2.gz RZFTWVDBYFMMKV-TVPLGVNVSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@](C)(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001407310431 1368745124 /nfs/dbraw/zinc/74/51/24/1368745124.db2.gz RZFTWVDBYFMMKV-TVPLGVNVSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@](C)(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001407310418 1368745512 /nfs/dbraw/zinc/74/55/12/1368745512.db2.gz RZFTWVDBYFMMKV-FAFZWHIHSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@](C)(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001407310418 1368745518 /nfs/dbraw/zinc/74/55/18/1368745518.db2.gz RZFTWVDBYFMMKV-FAFZWHIHSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001437714418 1387960289 /nfs/dbraw/zinc/96/02/89/1387960289.db2.gz MMMHVYLGPNFWGN-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001437714418 1387960292 /nfs/dbraw/zinc/96/02/92/1387960292.db2.gz MMMHVYLGPNFWGN-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407522140 1368937419 /nfs/dbraw/zinc/93/74/19/1368937419.db2.gz MWBPBJGVUPPNLP-WMZOPIPTSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001407541723 1368961681 /nfs/dbraw/zinc/96/16/81/1368961681.db2.gz ZTRNJLXVCPJKOL-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1F ZINC001437727176 1387975880 /nfs/dbraw/zinc/97/58/80/1387975880.db2.gz NVOKFKDHKPRBDR-IEBWSBKVSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1F ZINC001437727180 1387975904 /nfs/dbraw/zinc/97/59/04/1387975904.db2.gz NVOKFKDHKPRBDR-PKOBYXMFSA-N 1 3 349.494 2.658 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001407775957 1369217881 /nfs/dbraw/zinc/21/78/81/1369217881.db2.gz JHZHTWIZNHWKBM-OAHLLOKOSA-N 1 3 343.462 2.533 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001407788023 1369233738 /nfs/dbraw/zinc/23/37/38/1369233738.db2.gz RSVAHNSDIGLVQV-SFHVURJKSA-N 1 3 329.488 2.690 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCC1)N(C)C ZINC001407830140 1369283325 /nfs/dbraw/zinc/28/33/25/1369283325.db2.gz MGIMTDAQVOVBOO-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001407891523 1369356883 /nfs/dbraw/zinc/35/68/83/1369356883.db2.gz MVGSQESBDHFDBZ-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ncccc2C)CC1 ZINC001407891523 1369356887 /nfs/dbraw/zinc/35/68/87/1369356887.db2.gz MVGSQESBDHFDBZ-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@H]1CCCCN1C ZINC001407918307 1369393929 /nfs/dbraw/zinc/39/39/29/1369393929.db2.gz GDIAOQBWUDBYJY-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[C@H]1CCCCN1C ZINC001407918307 1369393937 /nfs/dbraw/zinc/39/39/37/1369393937.db2.gz GDIAOQBWUDBYJY-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001407919287 1369398352 /nfs/dbraw/zinc/39/83/52/1369398352.db2.gz NPBABTACJBJJDE-BQHJZSHBSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001407919287 1369398357 /nfs/dbraw/zinc/39/83/57/1369398357.db2.gz NPBABTACJBJJDE-BQHJZSHBSA-N 1 3 343.515 2.822 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)sc1C)N(C)C ZINC001407935302 1369426515 /nfs/dbraw/zinc/42/65/15/1369426515.db2.gz ZFQHFNDRNDMUHB-QGZVFWFLSA-N 1 3 339.549 2.985 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)sc1C)N(C)C ZINC001407935302 1369426519 /nfs/dbraw/zinc/42/65/19/1369426519.db2.gz ZFQHFNDRNDMUHB-QGZVFWFLSA-N 1 3 339.549 2.985 20 0 EFADHO Cc1ncccc1CN(C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001407955405 1369458857 /nfs/dbraw/zinc/45/88/57/1369458857.db2.gz MFSYXADTLVBRPV-UHFFFAOYSA-N 1 3 346.519 2.546 20 0 EFADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408011026 1369526472 /nfs/dbraw/zinc/52/64/72/1369526472.db2.gz QOYUBVKGRSWAAN-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001408050667 1369563446 /nfs/dbraw/zinc/56/34/46/1369563446.db2.gz BUQWPRVOBOSJSZ-MRXNPFEDSA-N 1 3 329.488 2.760 20 0 EFADHO CCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001408050667 1369563451 /nfs/dbraw/zinc/56/34/51/1369563451.db2.gz BUQWPRVOBOSJSZ-MRXNPFEDSA-N 1 3 329.488 2.760 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cc2ccccc2o1 ZINC001408099578 1369606647 /nfs/dbraw/zinc/60/66/47/1369606647.db2.gz SJPZBPQPMWOEHE-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001408103383 1369610119 /nfs/dbraw/zinc/61/01/19/1369610119.db2.gz YRWJAKZGSUARRN-MAUKXSAKSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001408120991 1369625242 /nfs/dbraw/zinc/62/52/42/1369625242.db2.gz VGXATHOYWSNOOO-QWRNQZPISA-N 1 3 341.499 2.621 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)CC(C)(C)C ZINC001408129279 1369632772 /nfs/dbraw/zinc/63/27/72/1369632772.db2.gz QGMODYCELRKWRJ-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C)CC(C)(C)C ZINC001408129279 1369632775 /nfs/dbraw/zinc/63/27/75/1369632775.db2.gz QGMODYCELRKWRJ-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001408163311 1369665776 /nfs/dbraw/zinc/66/57/76/1369665776.db2.gz AHNNUBHMOHBPJN-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001408163311 1369665779 /nfs/dbraw/zinc/66/57/79/1369665779.db2.gz AHNNUBHMOHBPJN-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001408170445 1369673568 /nfs/dbraw/zinc/67/35/68/1369673568.db2.gz DMWIDAKROTYQKN-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001408173338 1369677241 /nfs/dbraw/zinc/67/72/41/1369677241.db2.gz RWSXPNKFDGXUFI-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001408173338 1369677253 /nfs/dbraw/zinc/67/72/53/1369677253.db2.gz RWSXPNKFDGXUFI-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)CN1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408267732 1369765695 /nfs/dbraw/zinc/76/56/95/1369765695.db2.gz VGNBNPOMIGCFGZ-IBGZPJMESA-N 1 3 343.515 2.700 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001408312371 1369811762 /nfs/dbraw/zinc/81/17/62/1369811762.db2.gz VGNUNEPOUOVEQH-IEBWSBKVSA-N 1 3 331.504 2.746 20 0 EFADHO CN1CCC[C@]2(CC[N@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C2)C1 ZINC001414164944 1370059527 /nfs/dbraw/zinc/05/95/27/1370059527.db2.gz VRGQWSSNDIHQSP-IBGZPJMESA-N 1 3 329.419 2.997 20 0 EFADHO CN1CCC[C@]2(CC[N@@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C2)C1 ZINC001414164944 1370059533 /nfs/dbraw/zinc/05/95/33/1370059533.db2.gz VRGQWSSNDIHQSP-IBGZPJMESA-N 1 3 329.419 2.997 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001437783441 1388062768 /nfs/dbraw/zinc/06/27/68/1388062768.db2.gz DGIUTYCMTPWTFA-LJQANCHMSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001437783441 1388062777 /nfs/dbraw/zinc/06/27/77/1388062777.db2.gz DGIUTYCMTPWTFA-LJQANCHMSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001437787202 1388070217 /nfs/dbraw/zinc/07/02/17/1388070217.db2.gz ZIBDNQJDLHJRIF-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001437787202 1388070236 /nfs/dbraw/zinc/07/02/36/1388070236.db2.gz ZIBDNQJDLHJRIF-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C)c1 ZINC001414525777 1370398487 /nfs/dbraw/zinc/39/84/87/1370398487.db2.gz SJRKIFCQUDESLT-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552472 1370430645 /nfs/dbraw/zinc/43/06/45/1370430645.db2.gz HNCYSLXAEPTWNZ-IEBWSBKVSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552472 1370430650 /nfs/dbraw/zinc/43/06/50/1370430650.db2.gz HNCYSLXAEPTWNZ-IEBWSBKVSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@H](C)c1ccc(F)cc1)C1CC1)N(C)C ZINC001437794014 1388077097 /nfs/dbraw/zinc/07/70/97/1388077097.db2.gz ORSBMNKSQLHFEF-RDTXWAMCSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@H](C)c1ccc(F)cc1)C1CC1)N(C)C ZINC001437794014 1388077106 /nfs/dbraw/zinc/07/71/06/1388077106.db2.gz ORSBMNKSQLHFEF-RDTXWAMCSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(CN(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)cc1C ZINC001437803611 1388087251 /nfs/dbraw/zinc/08/72/51/1388087251.db2.gz HLCFQTMPBKKGLZ-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)c(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001437816961 1388114401 /nfs/dbraw/zinc/11/44/01/1388114401.db2.gz FDSVXPARUPULEE-GOSISDBHSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1cc(C)c(CN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)c(C)c1 ZINC001437816961 1388114403 /nfs/dbraw/zinc/11/44/03/1388114403.db2.gz FDSVXPARUPULEE-GOSISDBHSA-N 1 3 343.515 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001437854120 1388143638 /nfs/dbraw/zinc/14/36/38/1388143638.db2.gz JDIHBFJXKBNQFN-OALUTQOASA-N 1 3 349.494 2.837 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671448 1373142819 /nfs/dbraw/zinc/14/28/19/1373142819.db2.gz SZWJBQVXRZMYCT-HOJAQTOUSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671448 1373142826 /nfs/dbraw/zinc/14/28/26/1373142826.db2.gz SZWJBQVXRZMYCT-HOJAQTOUSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671450 1373142978 /nfs/dbraw/zinc/14/29/78/1373142978.db2.gz SZWJBQVXRZMYCT-IHPCNDPISA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671450 1373142982 /nfs/dbraw/zinc/14/29/82/1373142982.db2.gz SZWJBQVXRZMYCT-IHPCNDPISA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001417776139 1373241132 /nfs/dbraw/zinc/24/11/32/1373241132.db2.gz YQKWGSXNIAPFDE-SXLOBPIMSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001417792776 1373258542 /nfs/dbraw/zinc/25/85/42/1373258542.db2.gz TZRHDEDKRBRLSN-BFYDXBDKSA-N 1 3 349.906 2.666 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001417918876 1373414685 /nfs/dbraw/zinc/41/46/85/1373414685.db2.gz SXTJRAJARNISQS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001417918876 1373414687 /nfs/dbraw/zinc/41/46/87/1373414687.db2.gz SXTJRAJARNISQS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CCN2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001417918750 1373414726 /nfs/dbraw/zinc/41/47/26/1373414726.db2.gz QTDMLGJUDCPSKD-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccc(CCN2CCC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001417918750 1373414728 /nfs/dbraw/zinc/41/47/28/1373414728.db2.gz QTDMLGJUDCPSKD-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCc1ccccc1)CC2)N(C)C ZINC001417953971 1373446265 /nfs/dbraw/zinc/44/62/65/1373446265.db2.gz JSVDXHIFAKASIS-OALUTQOASA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(C)c1)CC2)N(C)C ZINC001417954635 1373446455 /nfs/dbraw/zinc/44/64/55/1373446455.db2.gz LVFOGBWMWHMTPT-RBUKOAKNSA-N 1 3 343.515 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001417957238 1373450858 /nfs/dbraw/zinc/45/08/58/1373450858.db2.gz RIUOOXCTMWRFOV-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001418063612 1373569332 /nfs/dbraw/zinc/56/93/32/1373569332.db2.gz IDZSLQGOMFBHNN-SZMVWBNQSA-N 1 3 331.504 2.962 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCCCC1 ZINC001418069635 1373574840 /nfs/dbraw/zinc/57/48/40/1373574840.db2.gz DDPXHCOYJQYEMH-IHRRRGAJSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001418131877 1373654855 /nfs/dbraw/zinc/65/48/55/1373654855.db2.gz BQKSTFGNDXLWQO-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001418131877 1373654862 /nfs/dbraw/zinc/65/48/62/1373654862.db2.gz BQKSTFGNDXLWQO-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001418160779 1373706574 /nfs/dbraw/zinc/70/65/74/1373706574.db2.gz CZENWHFRTAVLFE-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418161006 1373707498 /nfs/dbraw/zinc/70/74/98/1373707498.db2.gz JPCFHZMFSNACIG-ICSRJNTNSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001418161006 1373707505 /nfs/dbraw/zinc/70/75/05/1373707505.db2.gz JPCFHZMFSNACIG-ICSRJNTNSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001418238239 1373793044 /nfs/dbraw/zinc/79/30/44/1373793044.db2.gz VNHTWWLKRLLZAA-HNNXBMFYSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001418350777 1373923290 /nfs/dbraw/zinc/92/32/90/1373923290.db2.gz SOAVJVCNKKWRTA-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001418369059 1373943319 /nfs/dbraw/zinc/94/33/19/1373943319.db2.gz RLTDKWLARKBWSY-IRXDYDNUSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001418459258 1374047426 /nfs/dbraw/zinc/04/74/26/1374047426.db2.gz ATBINSURNGDCSA-LBTNJELSSA-N 1 3 349.906 2.716 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001418459258 1374047431 /nfs/dbraw/zinc/04/74/31/1374047431.db2.gz ATBINSURNGDCSA-LBTNJELSSA-N 1 3 349.906 2.716 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001418475769 1374068662 /nfs/dbraw/zinc/06/86/62/1374068662.db2.gz AFKDMGAJRAROKX-LJQANCHMSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001418475769 1374068666 /nfs/dbraw/zinc/06/86/66/1374068666.db2.gz AFKDMGAJRAROKX-LJQANCHMSA-N 1 3 349.494 2.825 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418493331 1374089396 /nfs/dbraw/zinc/08/93/96/1374089396.db2.gz YRLUZFBCVGAVGJ-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC001418494593 1374090995 /nfs/dbraw/zinc/09/09/95/1374090995.db2.gz LFHKKLIUCBGCNM-KDOFPFPSSA-N 1 3 349.906 2.717 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC001418494593 1374090998 /nfs/dbraw/zinc/09/09/98/1374090998.db2.gz LFHKKLIUCBGCNM-KDOFPFPSSA-N 1 3 349.906 2.717 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1c(C)cccc1C ZINC001418527488 1374135762 /nfs/dbraw/zinc/13/57/62/1374135762.db2.gz NKSRASVHZUIGIY-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cccc1C ZINC001418527488 1374135765 /nfs/dbraw/zinc/13/57/65/1374135765.db2.gz NKSRASVHZUIGIY-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCCc2ccccc21 ZINC001418562502 1374185806 /nfs/dbraw/zinc/18/58/06/1374185806.db2.gz QAGWXJQSVHODNZ-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCCc2ccccc21 ZINC001418562502 1374185809 /nfs/dbraw/zinc/18/58/09/1374185809.db2.gz QAGWXJQSVHODNZ-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001418572970 1374205828 /nfs/dbraw/zinc/20/58/28/1374205828.db2.gz PDERNVCYEJUOKG-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001418572970 1374205830 /nfs/dbraw/zinc/20/58/30/1374205830.db2.gz PDERNVCYEJUOKG-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001437990410 1388303265 /nfs/dbraw/zinc/30/32/65/1388303265.db2.gz MZWYBIFTYGRYNM-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001418595355 1374244780 /nfs/dbraw/zinc/24/47/80/1374244780.db2.gz URURSZUGUDNRNB-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1)[NH+](C)C ZINC001418634737 1374301575 /nfs/dbraw/zinc/30/15/75/1374301575.db2.gz WZZKCLFGMJFRRL-RBUKOAKNSA-N 1 3 349.494 2.823 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001418684263 1374366194 /nfs/dbraw/zinc/36/61/94/1374366194.db2.gz PKGJOLMMRJTURG-MPGHIAIKSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001418688629 1374370729 /nfs/dbraw/zinc/37/07/29/1374370729.db2.gz ZIJKAKFQSYIMIT-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC1CC1)CC2 ZINC001418746886 1374451502 /nfs/dbraw/zinc/45/15/02/1374451502.db2.gz PARPJLKHIAREKN-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001418752969 1374460351 /nfs/dbraw/zinc/46/03/51/1374460351.db2.gz VOFOQTXLTONIKP-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418796684 1374513849 /nfs/dbraw/zinc/51/38/49/1374513849.db2.gz KHCBMPWUWKFTJZ-ZBFHGGJFSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418796684 1374513852 /nfs/dbraw/zinc/51/38/52/1374513852.db2.gz KHCBMPWUWKFTJZ-ZBFHGGJFSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001418841511 1374564235 /nfs/dbraw/zinc/56/42/35/1374564235.db2.gz AALCOYZITZXWMI-AJHXJQRKSA-N 1 3 343.943 2.934 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccc1 ZINC001418852684 1374577061 /nfs/dbraw/zinc/57/70/61/1374577061.db2.gz JHPLLSIZLHRIQB-YTQUADARSA-N 1 3 329.488 2.765 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccccc1 ZINC001418852684 1374577063 /nfs/dbraw/zinc/57/70/63/1374577063.db2.gz JHPLLSIZLHRIQB-YTQUADARSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934514 1374702220 /nfs/dbraw/zinc/70/22/20/1374702220.db2.gz WVPJONZOHDRRFY-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934514 1374702226 /nfs/dbraw/zinc/70/22/26/1374702226.db2.gz WVPJONZOHDRRFY-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(CN(C)CCF)CC1)[NH+]1CCCCC1 ZINC001418948521 1374722972 /nfs/dbraw/zinc/72/29/72/1374722972.db2.gz XSQYCAXDXQKADT-GOSISDBHSA-N 1 3 341.515 2.637 20 0 EFADHO CCC(CC)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001418948861 1374723261 /nfs/dbraw/zinc/72/32/61/1374723261.db2.gz RCWDDKIRZNLQDD-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CCC(CC)C[N@@H+](C)CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001418948861 1374723266 /nfs/dbraw/zinc/72/32/66/1374723266.db2.gz RCWDDKIRZNLQDD-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001419019907 1374768977 /nfs/dbraw/zinc/76/89/77/1374768977.db2.gz ALYDXYFHGWGIPO-INIZCTEOSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001419031138 1374776274 /nfs/dbraw/zinc/77/62/74/1374776274.db2.gz JHPILQPQCRWTPP-KRWDZBQOSA-N 1 3 343.515 2.836 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001419039270 1374782529 /nfs/dbraw/zinc/78/25/29/1374782529.db2.gz ONANBTASHSZIKU-UHFFFAOYSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001419076543 1374816071 /nfs/dbraw/zinc/81/60/71/1374816071.db2.gz IWFTZQBWKGHQON-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419081058 1374821665 /nfs/dbraw/zinc/82/16/65/1374821665.db2.gz UWDHTOXDTLDGQB-LMMKCTJWSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419081058 1374821669 /nfs/dbraw/zinc/82/16/69/1374821669.db2.gz UWDHTOXDTLDGQB-LMMKCTJWSA-N 1 3 331.504 2.833 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001419095225 1374837387 /nfs/dbraw/zinc/83/73/87/1374837387.db2.gz CMFQQFBWNVLWCX-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419188516 1374934344 /nfs/dbraw/zinc/93/43/44/1374934344.db2.gz DNXDEXFWXXAXMG-MJGOQNOKSA-N 1 3 329.488 2.814 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001419190166 1374936725 /nfs/dbraw/zinc/93/67/25/1374936725.db2.gz YRGPVXBDKXSQLW-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001419191624 1374937227 /nfs/dbraw/zinc/93/72/27/1374937227.db2.gz MLUYHCUSHULVOT-OAHLLOKOSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001419191803 1374937958 /nfs/dbraw/zinc/93/79/58/1374937958.db2.gz DAPBPABWRSFPSW-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001419266773 1375014509 /nfs/dbraw/zinc/01/45/09/1375014509.db2.gz YRLBVOPJJRXVNW-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001419390510 1375209455 /nfs/dbraw/zinc/20/94/55/1375209455.db2.gz UWEBQSUNDBPJRS-IBGZPJMESA-N 1 3 331.504 2.921 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)N(C)C ZINC001419390411 1375209766 /nfs/dbraw/zinc/20/97/66/1375209766.db2.gz JZPDEDRLOHSGDW-IBGZPJMESA-N 1 3 331.504 2.779 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1Cl ZINC001419414158 1375242718 /nfs/dbraw/zinc/24/27/18/1375242718.db2.gz BQLLVTUOTQKMAS-KKUMJFAQSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001419416313 1375245470 /nfs/dbraw/zinc/24/54/70/1375245470.db2.gz ZOPXRPKDVBZHRC-LNLFQRSKSA-N 1 3 331.504 2.887 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001419468864 1375313590 /nfs/dbraw/zinc/31/35/90/1375313590.db2.gz LGXXWMDVSMFOIB-OAHLLOKOSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001419523831 1375384335 /nfs/dbraw/zinc/38/43/35/1375384335.db2.gz APWPCLYXTNNBNV-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1)[NH+](C)C ZINC001419554424 1375444137 /nfs/dbraw/zinc/44/41/37/1375444137.db2.gz IWWKCFTVAHLRHH-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001419606088 1375526042 /nfs/dbraw/zinc/52/60/42/1375526042.db2.gz KEUOYABSVIGIPW-WCLQSUPFSA-N 1 3 327.900 2.630 20 0 EFADHO C[NH+]1CCC(C(=O)NCC2(NCc3ccccc3F)CCCC2)CC1 ZINC001419614958 1375546356 /nfs/dbraw/zinc/54/63/56/1375546356.db2.gz HAEFMURKLULMDP-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001419631222 1375592062 /nfs/dbraw/zinc/59/20/62/1375592062.db2.gz IQDRMVCXZCJRSO-JKSUJKDBSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001419631222 1375592069 /nfs/dbraw/zinc/59/20/69/1375592069.db2.gz IQDRMVCXZCJRSO-JKSUJKDBSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001419633914 1375600026 /nfs/dbraw/zinc/60/00/26/1375600026.db2.gz RGZFESADJQRWAL-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001419633914 1375600029 /nfs/dbraw/zinc/60/00/29/1375600029.db2.gz RGZFESADJQRWAL-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419664875 1375665307 /nfs/dbraw/zinc/66/53/07/1375665307.db2.gz HMYRDDWKPLSTKB-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419668168 1375672403 /nfs/dbraw/zinc/67/24/03/1375672403.db2.gz UCGNUHHNBPSNPW-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]CC=C(Cl)Cl)CC1)C1CCC1 ZINC001419671528 1375679313 /nfs/dbraw/zinc/67/93/13/1375679313.db2.gz OAKQNJXSGNWSLL-UHFFFAOYSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC001419680640 1375702372 /nfs/dbraw/zinc/70/23/72/1375702372.db2.gz LBAZIIJKKXHFBY-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H](CNCc1ccccn1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001419682476 1375706077 /nfs/dbraw/zinc/70/60/77/1375706077.db2.gz BUCHBZDYRSSUAM-QGZVFWFLSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@H](CNCc1ccccn1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001419682476 1375706083 /nfs/dbraw/zinc/70/60/83/1375706083.db2.gz BUCHBZDYRSSUAM-QGZVFWFLSA-N 1 3 346.519 2.673 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001419702025 1375740835 /nfs/dbraw/zinc/74/08/35/1375740835.db2.gz MVJLVRYYKGSYIW-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1F ZINC001419740321 1375794342 /nfs/dbraw/zinc/79/43/42/1375794342.db2.gz LIKDODDQKFHBFA-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001419743450 1375801126 /nfs/dbraw/zinc/80/11/26/1375801126.db2.gz NWKDZYBLNDVJSX-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001419812968 1375923714 /nfs/dbraw/zinc/92/37/14/1375923714.db2.gz BPNLRKQKLLRRSP-LRDXNBAQSA-N 1 3 341.927 2.830 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001438211733 1388415733 /nfs/dbraw/zinc/41/57/33/1388415733.db2.gz UTBZRNLGLFVPPS-BHIYHBOVSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001438211733 1388415737 /nfs/dbraw/zinc/41/57/37/1388415737.db2.gz UTBZRNLGLFVPPS-BHIYHBOVSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccc(Cl)s1 ZINC001419876254 1376049617 /nfs/dbraw/zinc/04/96/17/1376049617.db2.gz YLOZWRUXAKLNGU-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419908651 1376110848 /nfs/dbraw/zinc/11/08/48/1376110848.db2.gz PDPGZTBIJBZDMT-OAHLLOKOSA-N 1 3 347.494 2.740 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001419965589 1376201194 /nfs/dbraw/zinc/20/11/94/1376201194.db2.gz IQXGUEIAQDJUJQ-HIFRSBDPSA-N 1 3 339.430 2.558 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001420030974 1376321202 /nfs/dbraw/zinc/32/12/02/1376321202.db2.gz LPBIMPXLLYYIGO-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001420030974 1376321207 /nfs/dbraw/zinc/32/12/07/1376321207.db2.gz LPBIMPXLLYYIGO-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001420030977 1376321473 /nfs/dbraw/zinc/32/14/73/1376321473.db2.gz LPBIMPXLLYYIGO-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001420030977 1376321482 /nfs/dbraw/zinc/32/14/82/1376321482.db2.gz LPBIMPXLLYYIGO-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001420073184 1376420068 /nfs/dbraw/zinc/42/00/68/1376420068.db2.gz HRGZKRUQAYMSRC-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CCCC2)C1 ZINC001420073184 1376420071 /nfs/dbraw/zinc/42/00/71/1376420071.db2.gz HRGZKRUQAYMSRC-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001420102743 1376458465 /nfs/dbraw/zinc/45/84/65/1376458465.db2.gz WGWKXBWVZVOUIY-GFCCVEGCSA-N 1 3 343.924 2.870 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001420123156 1376479720 /nfs/dbraw/zinc/47/97/20/1376479720.db2.gz AVGGFUALWNZHMF-IEBWSBKVSA-N 1 3 333.520 2.874 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001420221500 1376572534 /nfs/dbraw/zinc/57/25/34/1376572534.db2.gz DUVHHSQKLARKSU-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001420233654 1376590098 /nfs/dbraw/zinc/59/00/98/1376590098.db2.gz GFBXWVALLLWXSY-ZWKOTPCHSA-N 1 3 349.906 2.860 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001420304142 1376697772 /nfs/dbraw/zinc/69/77/72/1376697772.db2.gz BDKGPLVIEZRSLU-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001420304142 1376697775 /nfs/dbraw/zinc/69/77/75/1376697775.db2.gz BDKGPLVIEZRSLU-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001420358990 1376801403 /nfs/dbraw/zinc/80/14/03/1376801403.db2.gz QWDPZIPBGMMIAA-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001420358990 1376801408 /nfs/dbraw/zinc/80/14/08/1376801408.db2.gz QWDPZIPBGMMIAA-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001420421648 1376930536 /nfs/dbraw/zinc/93/05/36/1376930536.db2.gz KGVWWTORIGBXFH-SJLPKXTDSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001420421648 1376930541 /nfs/dbraw/zinc/93/05/41/1376930541.db2.gz KGVWWTORIGBXFH-SJLPKXTDSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)cc(C)c1 ZINC001420424485 1376936815 /nfs/dbraw/zinc/93/68/15/1376936815.db2.gz ULZWMEZGSKFOPK-INIZCTEOSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)cc(C)c1 ZINC001420424485 1376936818 /nfs/dbraw/zinc/93/68/18/1376936818.db2.gz ULZWMEZGSKFOPK-INIZCTEOSA-N 1 3 331.504 2.583 20 0 EFADHO CCc1ccc(C[N@H+](CC)CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001420424553 1376937873 /nfs/dbraw/zinc/93/78/73/1376937873.db2.gz VNUMDNJJKWZCDO-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CCc1ccc(C[N@@H+](CC)CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001420424553 1376937882 /nfs/dbraw/zinc/93/78/82/1376937882.db2.gz VNUMDNJJKWZCDO-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001420425097 1376938638 /nfs/dbraw/zinc/93/86/38/1376938638.db2.gz KQWCDGVEKRJMLP-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1cncc(CNC[C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001420453380 1377004787 /nfs/dbraw/zinc/00/47/87/1377004787.db2.gz FZVOAJGGHNRMPV-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(CNC[C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001420453380 1377004795 /nfs/dbraw/zinc/00/47/95/1377004795.db2.gz FZVOAJGGHNRMPV-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001420537699 1377150137 /nfs/dbraw/zinc/15/01/37/1377150137.db2.gz YIBTYJUIBQEEKT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001420537699 1377150142 /nfs/dbraw/zinc/15/01/42/1377150142.db2.gz YIBTYJUIBQEEKT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001420577586 1377235979 /nfs/dbraw/zinc/23/59/79/1377235979.db2.gz JCBBSPOETHIUIH-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](C[N@@H+](C)CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001420577586 1377235982 /nfs/dbraw/zinc/23/59/82/1377235982.db2.gz JCBBSPOETHIUIH-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)ccc1C ZINC001420604275 1377300489 /nfs/dbraw/zinc/30/04/89/1377300489.db2.gz HMBJTBVIYUHQSQ-SFHVURJKSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)ccc1C ZINC001420604275 1377300493 /nfs/dbraw/zinc/30/04/93/1377300493.db2.gz HMBJTBVIYUHQSQ-SFHVURJKSA-N 1 3 345.531 2.973 20 0 EFADHO C[C@@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001420615314 1377329891 /nfs/dbraw/zinc/32/98/91/1377329891.db2.gz RONOQNANANRVFA-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO C[NH+]1CCC(C(=O)NCCN(Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC001420690555 1377512577 /nfs/dbraw/zinc/51/25/77/1377512577.db2.gz VWQRUOWVXYJWAH-UHFFFAOYSA-N 1 3 349.906 2.762 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001420693690 1377518532 /nfs/dbraw/zinc/51/85/32/1377518532.db2.gz BLVOGGYYIKVOPY-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001420693690 1377518534 /nfs/dbraw/zinc/51/85/34/1377518534.db2.gz BLVOGGYYIKVOPY-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001420724044 1377568308 /nfs/dbraw/zinc/56/83/08/1377568308.db2.gz GLSRXMAEWWXARH-SJORKVTESA-N 1 3 337.895 2.716 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420940244 1377913091 /nfs/dbraw/zinc/91/30/91/1377913091.db2.gz ONJWTRKGCUIRGO-VWTAQGJOSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420940244 1377913094 /nfs/dbraw/zinc/91/30/94/1377913094.db2.gz ONJWTRKGCUIRGO-VWTAQGJOSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001420974233 1377961767 /nfs/dbraw/zinc/96/17/67/1377961767.db2.gz HPKYADNRSVTXIE-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001420978439 1377968717 /nfs/dbraw/zinc/96/87/17/1377968717.db2.gz QMOKCTAWHFEEHK-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001421009159 1378016058 /nfs/dbraw/zinc/01/60/58/1378016058.db2.gz SZESIQSHVJXDGW-IOMDMTNGSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001421009159 1378016061 /nfs/dbraw/zinc/01/60/61/1378016061.db2.gz SZESIQSHVJXDGW-IOMDMTNGSA-N 1 3 341.927 2.641 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@H]1CCCc2ccccc21 ZINC001438356752 1388530538 /nfs/dbraw/zinc/53/05/38/1388530538.db2.gz GLTPEMHZXWLQAI-AEFFLSMTSA-N 1 3 340.471 2.823 20 0 EFADHO CC(C)(C(=O)NCC1CN(CCc2cccs2)C1)[NH+]1CCCCC1 ZINC001421129069 1378159278 /nfs/dbraw/zinc/15/92/78/1378159278.db2.gz SQRUAQNTFOKXFC-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)(C(=O)NCC1C[NH+](CCc2cccs2)C1)N1CCCCC1 ZINC001421129069 1378159282 /nfs/dbraw/zinc/15/92/82/1378159282.db2.gz SQRUAQNTFOKXFC-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001421161871 1378208520 /nfs/dbraw/zinc/20/85/20/1378208520.db2.gz YXFXHFSTHNLYBO-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccc(C)cc1 ZINC001421216244 1378293501 /nfs/dbraw/zinc/29/35/01/1378293501.db2.gz MCAGPWFAQKFXLE-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccc(C)cc1 ZINC001421216244 1378293512 /nfs/dbraw/zinc/29/35/12/1378293512.db2.gz MCAGPWFAQKFXLE-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccccc1Cl ZINC001421453212 1378637148 /nfs/dbraw/zinc/63/71/48/1378637148.db2.gz ZOEBYLBVDMNKJC-INIZCTEOSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1cccc(C[NH2+]CC2(NC(=O)CN3CC[C@@H](C)C3)CCCC2)c1 ZINC001421514464 1378726034 /nfs/dbraw/zinc/72/60/34/1378726034.db2.gz WPLZIAVHDIRUMC-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001421536905 1378773745 /nfs/dbraw/zinc/77/37/45/1378773745.db2.gz ZEAMLOXBKYIVQR-YADGSTJUSA-N 1 3 348.318 2.616 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC001421550717 1378796997 /nfs/dbraw/zinc/79/69/97/1378796997.db2.gz WTDGJTBHUYHOSA-GOSISDBHSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC001421550717 1378797001 /nfs/dbraw/zinc/79/70/01/1378797001.db2.gz WTDGJTBHUYHOSA-GOSISDBHSA-N 1 3 331.504 2.918 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001421579067 1378841001 /nfs/dbraw/zinc/84/10/01/1378841001.db2.gz RADNFWQOMYQHGM-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001421579067 1378841004 /nfs/dbraw/zinc/84/10/04/1378841004.db2.gz RADNFWQOMYQHGM-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCCN(C)CC(=O)NCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001421642414 1378932544 /nfs/dbraw/zinc/93/25/44/1378932544.db2.gz UVCBWTAILUJZGD-UHFFFAOYSA-N 1 3 345.478 2.592 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c1 ZINC001421753225 1379081669 /nfs/dbraw/zinc/08/16/69/1379081669.db2.gz KPWQLGQVOIWHHK-UHFFFAOYSA-N 1 3 329.488 2.608 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001421760924 1379093059 /nfs/dbraw/zinc/09/30/59/1379093059.db2.gz SLFLIHXVJKIITG-HNAYVOBHSA-N 1 3 333.520 2.732 20 0 EFADHO C[C@@H](CNC/C(Cl)=C/Cl)CNC(=O)CC[NH+]1CCCCC1 ZINC001421765664 1379102860 /nfs/dbraw/zinc/10/28/60/1379102860.db2.gz JOBWRIAQAUAWBQ-GFAPJHNFSA-N 1 3 336.307 2.523 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001421775629 1379120204 /nfs/dbraw/zinc/12/02/04/1379120204.db2.gz GYENZUAHISYFGF-IZIDJEDMSA-N 1 3 327.900 2.630 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC001421815293 1379167709 /nfs/dbraw/zinc/16/77/09/1379167709.db2.gz AEEDXPVBNCMPOE-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001421818609 1379173959 /nfs/dbraw/zinc/17/39/59/1379173959.db2.gz NTTWAIMKEXZLPW-MLBQELRYSA-N 1 3 327.900 2.632 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421840135 1379216914 /nfs/dbraw/zinc/21/69/14/1379216914.db2.gz OBMWSJLOVKCYLZ-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421840135 1379216919 /nfs/dbraw/zinc/21/69/19/1379216919.db2.gz OBMWSJLOVKCYLZ-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CN(CC(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1)CC(C)(C)C ZINC001421872557 1379282936 /nfs/dbraw/zinc/28/29/36/1379282936.db2.gz QFCONYXLCFUSSP-UHFFFAOYSA-N 1 3 347.494 2.790 20 0 EFADHO CN(CC(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1)CC(C)(C)C ZINC001421872557 1379282942 /nfs/dbraw/zinc/28/29/42/1379282942.db2.gz QFCONYXLCFUSSP-UHFFFAOYSA-N 1 3 347.494 2.790 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CCc1ccccc1 ZINC001421901037 1379327975 /nfs/dbraw/zinc/32/79/75/1379327975.db2.gz JGMVHZIAJGHPNH-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CCc1ccccc1 ZINC001421901037 1379327979 /nfs/dbraw/zinc/32/79/79/1379327979.db2.gz JGMVHZIAJGHPNH-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)CN(C)C1CCC1 ZINC001421902138 1379330932 /nfs/dbraw/zinc/33/09/32/1379330932.db2.gz KKHSCUBUTSWRQW-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001421951329 1379397981 /nfs/dbraw/zinc/39/79/81/1379397981.db2.gz GZUORTXJZCAVGS-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1Cl ZINC001421991569 1379449089 /nfs/dbraw/zinc/44/90/89/1379449089.db2.gz MUSBTDIMUNJISP-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001421991755 1379449483 /nfs/dbraw/zinc/44/94/83/1379449483.db2.gz XXAHKTYWKFXQNZ-PQUAAJSLSA-N 1 3 331.504 2.844 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCCCC1)CC(C)C ZINC001422020229 1379496306 /nfs/dbraw/zinc/49/63/06/1379496306.db2.gz VVFMQCFDPIRJBJ-QGZVFWFLSA-N 1 3 334.508 2.961 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001422040492 1379529059 /nfs/dbraw/zinc/52/90/59/1379529059.db2.gz AAZCFZIQKNTXIC-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(CC)cc2)C1 ZINC001422048577 1379541008 /nfs/dbraw/zinc/54/10/08/1379541008.db2.gz MWXCFAALSCFLIA-XLIONFOSSA-N 1 3 345.531 2.570 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2CC[NH+](CC3CC3)CC2)c1 ZINC001438451883 1388615814 /nfs/dbraw/zinc/61/58/14/1388615814.db2.gz MQNRDYZCUAEPHH-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1F ZINC001422096499 1379606033 /nfs/dbraw/zinc/60/60/33/1379606033.db2.gz NKGFCGXEJAGEMT-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001422099903 1379609376 /nfs/dbraw/zinc/60/93/76/1379609376.db2.gz VOAZGPMACRQDFC-IBGZPJMESA-N 1 3 345.531 2.752 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001422122548 1379644959 /nfs/dbraw/zinc/64/49/59/1379644959.db2.gz CPJSEOIGKLSLDT-KGLIPLIRSA-N 1 3 337.430 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001422122548 1379644962 /nfs/dbraw/zinc/64/49/62/1379644962.db2.gz CPJSEOIGKLSLDT-KGLIPLIRSA-N 1 3 337.430 2.640 20 0 EFADHO COc1cccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001422132572 1379661674 /nfs/dbraw/zinc/66/16/74/1379661674.db2.gz TWIODMBDQPRTCA-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO COc1cccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001422132594 1379661798 /nfs/dbraw/zinc/66/17/98/1379661798.db2.gz TWIODMBDQPRTCA-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1F ZINC001422133043 1379662946 /nfs/dbraw/zinc/66/29/46/1379662946.db2.gz UISJYBZPRPFQDQ-FUHWJXTLSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422173313 1379723867 /nfs/dbraw/zinc/72/38/67/1379723867.db2.gz DQDNSERQFFDPRG-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422173313 1379723869 /nfs/dbraw/zinc/72/38/69/1379723869.db2.gz DQDNSERQFFDPRG-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001422198812 1379758359 /nfs/dbraw/zinc/75/83/59/1379758359.db2.gz HNQPYQYZIQTMTP-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO Cc1cccc(CCC[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001422198812 1379758363 /nfs/dbraw/zinc/75/83/63/1379758363.db2.gz HNQPYQYZIQTMTP-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001422202074 1379763123 /nfs/dbraw/zinc/76/31/23/1379763123.db2.gz SVDTZJQHMTTYIL-XLIONFOSSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001422202074 1379763127 /nfs/dbraw/zinc/76/31/27/1379763127.db2.gz SVDTZJQHMTTYIL-XLIONFOSSA-N 1 3 343.515 2.796 20 0 EFADHO CN(CC(=O)N(C)CC[N@H+](C)CCc1ccccc1)CC(C)(C)C ZINC001422202955 1379764983 /nfs/dbraw/zinc/76/49/83/1379764983.db2.gz ZUENYSIIENFIFT-UHFFFAOYSA-N 1 3 333.520 2.597 20 0 EFADHO CN(CC(=O)N(C)CC[N@@H+](C)CCc1ccccc1)CC(C)(C)C ZINC001422202955 1379764987 /nfs/dbraw/zinc/76/49/87/1379764987.db2.gz ZUENYSIIENFIFT-UHFFFAOYSA-N 1 3 333.520 2.597 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001422215863 1379788099 /nfs/dbraw/zinc/78/80/99/1379788099.db2.gz KXUHCOCKPCJEIT-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438501839 1388642971 /nfs/dbraw/zinc/64/29/71/1388642971.db2.gz VLDFCDXBMTYNDF-MRXNPFEDSA-N 1 3 331.504 2.630 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)C1(N(C)C)CCC1 ZINC001422458354 1380135492 /nfs/dbraw/zinc/13/54/92/1380135492.db2.gz XSJKMUJXAHXXLG-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001422460513 1380140946 /nfs/dbraw/zinc/14/09/46/1380140946.db2.gz MTSMIUYXGRESEX-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001422505547 1380216568 /nfs/dbraw/zinc/21/65/68/1380216568.db2.gz PHQWLRGZNNXZLK-XNJGSVPQSA-N 1 3 341.446 2.706 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001422522499 1380248649 /nfs/dbraw/zinc/24/86/49/1380248649.db2.gz HGCRWURWXGNTDC-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001422522499 1380248652 /nfs/dbraw/zinc/24/86/52/1380248652.db2.gz HGCRWURWXGNTDC-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@H](C)c1cccc(F)c1 ZINC001422525640 1380254175 /nfs/dbraw/zinc/25/41/75/1380254175.db2.gz FPXZKOHIJRXNRP-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422534958 1380273275 /nfs/dbraw/zinc/27/32/75/1380273275.db2.gz YFVNMUZEGZFXEB-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422534958 1380273276 /nfs/dbraw/zinc/27/32/76/1380273276.db2.gz YFVNMUZEGZFXEB-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001422591029 1380385634 /nfs/dbraw/zinc/38/56/34/1380385634.db2.gz PPUSLZRKLNYWOX-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001422591029 1380385636 /nfs/dbraw/zinc/38/56/36/1380385636.db2.gz PPUSLZRKLNYWOX-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438533565 1388660566 /nfs/dbraw/zinc/66/05/66/1388660566.db2.gz SLBRRPDOGCPSMC-LSDHHAIUSA-N 1 3 337.895 2.524 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cc(Cl)ccc3F)C2)CC1 ZINC001422655197 1380496646 /nfs/dbraw/zinc/49/66/46/1380496646.db2.gz POAHWTQLHDFKDF-OAHLLOKOSA-N 1 3 325.859 2.737 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001422736467 1380735276 /nfs/dbraw/zinc/73/52/76/1380735276.db2.gz VCFPDHHXFFAZBE-JXFKEZNVSA-N 1 3 345.531 2.772 20 0 EFADHO C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CN(CCc2cccs2)C1 ZINC001422760263 1380768762 /nfs/dbraw/zinc/76/87/62/1380768762.db2.gz LOMVLBYILVVGPK-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001422886138 1381005760 /nfs/dbraw/zinc/00/57/60/1381005760.db2.gz NXGMCDAGWSKTOP-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001422937215 1381092178 /nfs/dbraw/zinc/09/21/78/1381092178.db2.gz VJADVDMHVJXWLK-MJGOQNOKSA-N 1 3 349.494 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001422937208 1381092690 /nfs/dbraw/zinc/09/26/90/1381092690.db2.gz VJADVDMHVJXWLK-HKUYNNGSSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001422995720 1381177373 /nfs/dbraw/zinc/17/73/73/1381177373.db2.gz PSNZDFKVIWYUTG-OALUTQOASA-N 1 3 349.494 2.739 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001423127278 1381397960 /nfs/dbraw/zinc/39/79/60/1381397960.db2.gz JVQSBQIGXNQNDM-HNNXBMFYSA-N 1 3 337.483 2.740 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001423127282 1381398779 /nfs/dbraw/zinc/39/87/79/1381398779.db2.gz JVQSBQIGXNQNDM-OAHLLOKOSA-N 1 3 337.483 2.740 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001423136624 1381415132 /nfs/dbraw/zinc/41/51/32/1381415132.db2.gz VPZCOMXPAVTNRZ-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438655304 1388721684 /nfs/dbraw/zinc/72/16/84/1388721684.db2.gz VBLMWPLQQLBAOF-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001438656224 1388722224 /nfs/dbraw/zinc/72/22/24/1388722224.db2.gz XHPWMWXZKOSLJJ-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001423160709 1381472786 /nfs/dbraw/zinc/47/27/86/1381472786.db2.gz PYJVJDCABNCHBV-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCc1ccccc1F ZINC001423168826 1381495185 /nfs/dbraw/zinc/49/51/85/1381495185.db2.gz GKCKMHOHTSHRRS-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001423210540 1381589536 /nfs/dbraw/zinc/58/95/36/1381589536.db2.gz PAQOJPOZUVSZKU-SFHVURJKSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001438677008 1388733280 /nfs/dbraw/zinc/73/32/80/1388733280.db2.gz BXNQQDCMWCPJKK-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(NCc2ccc(Cl)s2)CC1)[NH+](C)C ZINC001423295457 1381754051 /nfs/dbraw/zinc/75/40/51/1381754051.db2.gz WNUZIVULYCNORM-CQSZACIVSA-N 1 3 343.924 2.726 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001438692546 1388742830 /nfs/dbraw/zinc/74/28/30/1388742830.db2.gz YHBCVEHDKZZWRI-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001423328612 1381791580 /nfs/dbraw/zinc/79/15/80/1381791580.db2.gz LKRIYXDVZSXMSU-UTHSDXRISA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001423328612 1381791585 /nfs/dbraw/zinc/79/15/85/1381791585.db2.gz LKRIYXDVZSXMSU-UTHSDXRISA-N 1 3 341.927 2.973 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c(C)c1 ZINC001438697634 1388746107 /nfs/dbraw/zinc/74/61/07/1388746107.db2.gz FNFJSUGKLDPOHU-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001423361512 1381846294 /nfs/dbraw/zinc/84/62/94/1381846294.db2.gz GIGMOWUGZBKNJG-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001423361512 1381846299 /nfs/dbraw/zinc/84/62/99/1381846299.db2.gz GIGMOWUGZBKNJG-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCCN1CCCF ZINC001423371139 1381863929 /nfs/dbraw/zinc/86/39/29/1381863929.db2.gz JNNALJVPIBBIHA-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001423474206 1381971524 /nfs/dbraw/zinc/97/15/24/1381971524.db2.gz HEZKFCKWRYDPDF-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001423490496 1381981094 /nfs/dbraw/zinc/98/10/94/1381981094.db2.gz KKFBLFPXLSCVQM-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001423587051 1382121554 /nfs/dbraw/zinc/12/15/54/1382121554.db2.gz OJQHTCBVLYUMJL-HXUWFJFHSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001423587051 1382121558 /nfs/dbraw/zinc/12/15/58/1382121558.db2.gz OJQHTCBVLYUMJL-HXUWFJFHSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001423632191 1382198402 /nfs/dbraw/zinc/19/84/02/1382198402.db2.gz QSYGDRRWBLURMM-QUCCMNQESA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001423632157 1382198561 /nfs/dbraw/zinc/19/85/61/1382198561.db2.gz QQRBFSLEHKUQCZ-UYAOXDASSA-N 1 3 349.494 2.740 20 0 EFADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001423665513 1382248180 /nfs/dbraw/zinc/24/81/80/1382248180.db2.gz HERKMEHMURXJLK-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1)C1CCC1 ZINC001438763974 1388793785 /nfs/dbraw/zinc/79/37/85/1388793785.db2.gz KUEOAUSJSIRZCR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1)C1CCC1 ZINC001438763974 1388793790 /nfs/dbraw/zinc/79/37/90/1388793790.db2.gz KUEOAUSJSIRZCR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001424086678 1382746469 /nfs/dbraw/zinc/74/64/69/1382746469.db2.gz OCRWATKOPNYHNM-FVQBIDKESA-N 1 3 345.478 2.637 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001424284913 1382918101 /nfs/dbraw/zinc/91/81/01/1382918101.db2.gz YLGDOKFJZLWKMJ-RDTXFTJFSA-N 1 3 327.900 2.586 20 0 EFADHO Cc1ccncc1CN(C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001424341068 1382955487 /nfs/dbraw/zinc/95/54/87/1382955487.db2.gz PUABSZVIRGCRLU-UHFFFAOYSA-N 1 3 346.519 2.546 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001424439256 1383017952 /nfs/dbraw/zinc/01/79/52/1383017952.db2.gz CDDFVYFZOMJONQ-LJQANCHMSA-N 1 3 347.478 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001424439256 1383017957 /nfs/dbraw/zinc/01/79/57/1383017957.db2.gz CDDFVYFZOMJONQ-LJQANCHMSA-N 1 3 347.478 2.708 20 0 EFADHO CC(C)[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001424508811 1383059050 /nfs/dbraw/zinc/05/90/50/1383059050.db2.gz GZUWIWZEJWVQGR-IBGZPJMESA-N 1 3 343.515 2.639 20 0 EFADHO C[C@@H]([NH2+]C/C=C/Cl)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001438819255 1388840600 /nfs/dbraw/zinc/84/06/00/1388840600.db2.gz BWYDOTBNGYQTRT-CDFMYIFESA-N 1 3 341.927 2.688 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C/C=C\c1ccccc1 ZINC001424688285 1383260068 /nfs/dbraw/zinc/26/00/68/1383260068.db2.gz RPKOBLAIUUDBER-RNDZGNHASA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C\c1ccccc1 ZINC001424688285 1383260070 /nfs/dbraw/zinc/26/00/70/1383260070.db2.gz RPKOBLAIUUDBER-RNDZGNHASA-N 1 3 341.499 2.717 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001424704942 1383278154 /nfs/dbraw/zinc/27/81/54/1383278154.db2.gz WJOMINPIWZVQOE-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001424704942 1383278157 /nfs/dbraw/zinc/27/81/57/1383278157.db2.gz WJOMINPIWZVQOE-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001424718696 1383293253 /nfs/dbraw/zinc/29/32/53/1383293253.db2.gz GBTVDQLYLGUAFM-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001424718696 1383293260 /nfs/dbraw/zinc/29/32/60/1383293260.db2.gz GBTVDQLYLGUAFM-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[NH2+]C1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001424856223 1383426665 /nfs/dbraw/zinc/42/66/65/1383426665.db2.gz VHWRITHFDBCHMP-UHFFFAOYSA-N 1 3 325.541 2.980 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001425262299 1383578186 /nfs/dbraw/zinc/57/81/86/1383578186.db2.gz DDRUYGYZMJDLQA-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C)C1 ZINC001425262299 1383578192 /nfs/dbraw/zinc/57/81/92/1383578192.db2.gz DDRUYGYZMJDLQA-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001425263376 1383579426 /nfs/dbraw/zinc/57/94/26/1383579426.db2.gz GFDWZTHEQQABEI-AWEZNQCLSA-N 1 3 346.519 2.914 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C/Cl ZINC001425599119 1383706730 /nfs/dbraw/zinc/70/67/30/1383706730.db2.gz AVBFPGUSUKKRAT-KUCQQTCKSA-N 1 3 329.916 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@H]1C ZINC001425907670 1383845106 /nfs/dbraw/zinc/84/51/06/1383845106.db2.gz XJZDCWMXZLPGIG-CRAIPNDOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001425952009 1383893486 /nfs/dbraw/zinc/89/34/86/1383893486.db2.gz JEQXWRFJDFPLRB-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2ccc(F)cc21)C(=O)C1CC[NH+](C)CC1 ZINC001438902831 1388905324 /nfs/dbraw/zinc/90/53/24/1388905324.db2.gz AZDDIIRGWABZGQ-LJQANCHMSA-N 1 3 347.478 2.545 20 0 EFADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001438928039 1388928461 /nfs/dbraw/zinc/92/84/61/1388928461.db2.gz KWAQIUGMCCBEIR-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001438928039 1388928466 /nfs/dbraw/zinc/92/84/66/1388928466.db2.gz KWAQIUGMCCBEIR-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCCc1ccccc1 ZINC001438938363 1388938349 /nfs/dbraw/zinc/93/83/49/1388938349.db2.gz PAXROWXFLPQLIF-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCCc1ccccc1 ZINC001438938363 1388938353 /nfs/dbraw/zinc/93/83/53/1388938353.db2.gz PAXROWXFLPQLIF-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCc2cccs2)C1 ZINC001438951343 1388948467 /nfs/dbraw/zinc/94/84/67/1388948467.db2.gz NXOVFHFWVBRURR-AEFFLSMTSA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCc2cccs2)C1 ZINC001438951343 1388948471 /nfs/dbraw/zinc/94/84/71/1388948471.db2.gz NXOVFHFWVBRURR-AEFFLSMTSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001439075253 1388980333 /nfs/dbraw/zinc/98/03/33/1388980333.db2.gz SKSVEMHDRARXSB-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001434438620 1387150822 /nfs/dbraw/zinc/15/08/22/1387150822.db2.gz SKJRHSUMSCXWBS-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001434438620 1387150826 /nfs/dbraw/zinc/15/08/26/1387150826.db2.gz SKJRHSUMSCXWBS-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001439220494 1389055175 /nfs/dbraw/zinc/05/51/75/1389055175.db2.gz HWRNBWCXQGHVMV-KRWDZBQOSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)CC(C)(C)C ZINC001439256584 1389077654 /nfs/dbraw/zinc/07/76/54/1389077654.db2.gz VBXAAXAIHPFMNI-KBXCAEBGSA-N 1 3 349.494 2.885 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001439405518 1389254452 /nfs/dbraw/zinc/25/44/52/1389254452.db2.gz JDCPCHOISBNKDP-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)C1 ZINC001439804481 1389334752 /nfs/dbraw/zinc/33/47/52/1389334752.db2.gz WYDITBPJRRSCRJ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001440129882 1389402578 /nfs/dbraw/zinc/40/25/78/1389402578.db2.gz WMRPAISJGOTUKW-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CC1CC(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCCC3)CCC2)C1 ZINC001440297514 1389512397 /nfs/dbraw/zinc/51/23/97/1389512397.db2.gz BCEHMDKIAMERJR-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001440336508 1389543965 /nfs/dbraw/zinc/54/39/65/1389543965.db2.gz CAZMWXZAQHQPRN-SNRMKQJTSA-N 1 3 349.494 2.705 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440338209 1389545464 /nfs/dbraw/zinc/54/54/64/1389545464.db2.gz KELLDKNRKTZRSF-CQSZACIVSA-N 1 3 349.441 2.830 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001440380333 1389578341 /nfs/dbraw/zinc/57/83/41/1389578341.db2.gz BBHZSJYEJWIADR-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001440380333 1389578347 /nfs/dbraw/zinc/57/83/47/1389578347.db2.gz BBHZSJYEJWIADR-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1)C1CCC1 ZINC001440392517 1389588170 /nfs/dbraw/zinc/58/81/70/1389588170.db2.gz OGZFAAOVKHBZLE-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1)C1CCC1 ZINC001440392517 1389588174 /nfs/dbraw/zinc/58/81/74/1389588174.db2.gz OGZFAAOVKHBZLE-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)CC1 ZINC001440393601 1389589439 /nfs/dbraw/zinc/58/94/39/1389589439.db2.gz CAUKCEQRBRXAGD-QGZVFWFLSA-N 1 3 337.533 2.869 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2csc(C)c2)CC1 ZINC001440393601 1389589443 /nfs/dbraw/zinc/58/94/43/1389589443.db2.gz CAUKCEQRBRXAGD-QGZVFWFLSA-N 1 3 337.533 2.869 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001440593080 1389763653 /nfs/dbraw/zinc/76/36/53/1389763653.db2.gz BRUNWQZBDZHRGQ-DYVFJYSZSA-N 1 3 337.533 2.643 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001440642656 1389793180 /nfs/dbraw/zinc/79/31/80/1389793180.db2.gz ALEYWPRCYGDPMN-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001440642656 1389793184 /nfs/dbraw/zinc/79/31/84/1389793184.db2.gz ALEYWPRCYGDPMN-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001440669702 1389809749 /nfs/dbraw/zinc/80/97/49/1389809749.db2.gz YAMDCNDVNMHCGY-VHSSKADRSA-N 1 3 335.467 2.638 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCc2cccs2)CCC1 ZINC001440736383 1389857353 /nfs/dbraw/zinc/85/73/53/1389857353.db2.gz SPAQSFQVEUYACD-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCc2cccs2)CCC1 ZINC001440736383 1389857359 /nfs/dbraw/zinc/85/73/59/1389857359.db2.gz SPAQSFQVEUYACD-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751469 1389868940 /nfs/dbraw/zinc/86/89/40/1389868940.db2.gz WGQXYFQFHPJCMG-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751469 1389868944 /nfs/dbraw/zinc/86/89/44/1389868944.db2.gz WGQXYFQFHPJCMG-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1csc(C)c1)N(C)C ZINC001440878572 1389974411 /nfs/dbraw/zinc/97/44/11/1389974411.db2.gz JKJCILMHVSPYHZ-MRXNPFEDSA-N 1 3 339.549 2.971 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001440944091 1390031287 /nfs/dbraw/zinc/03/12/87/1390031287.db2.gz WLFYHGVLROMNEE-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001440944091 1390031292 /nfs/dbraw/zinc/03/12/92/1390031292.db2.gz WLFYHGVLROMNEE-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001440944086 1390031777 /nfs/dbraw/zinc/03/17/77/1390031777.db2.gz WLFYHGVLROMNEE-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001440944086 1390031784 /nfs/dbraw/zinc/03/17/84/1390031784.db2.gz WLFYHGVLROMNEE-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@H](C)c1ccc(F)cc1 ZINC001440955042 1390044342 /nfs/dbraw/zinc/04/43/42/1390044342.db2.gz LNSFQZWUDMXRSC-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001440965154 1390056001 /nfs/dbraw/zinc/05/60/01/1390056001.db2.gz XBESWWLHHWPIAD-KUHUBIRLSA-N 1 3 347.478 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC001441150487 1391148062 /nfs/dbraw/zinc/14/80/62/1391148062.db2.gz FCXWMYFDQZAYSV-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1csc(C)c1)CC2 ZINC001441152688 1391149627 /nfs/dbraw/zinc/14/96/27/1391149627.db2.gz GWYLXUAVMBMDQD-QGZVFWFLSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001441203292 1391179633 /nfs/dbraw/zinc/17/96/33/1391179633.db2.gz JOCOHOCQVCUKKS-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001441215629 1391187492 /nfs/dbraw/zinc/18/74/92/1391187492.db2.gz XDWSHBRJZXKJOP-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001441415409 1391291675 /nfs/dbraw/zinc/29/16/75/1391291675.db2.gz GAHYDGYDRPOXQA-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@H](C)c1ccccc1F ZINC001441551848 1391360406 /nfs/dbraw/zinc/36/04/06/1391360406.db2.gz ZVGRQSDZAKALAR-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001441583212 1391374573 /nfs/dbraw/zinc/37/45/73/1391374573.db2.gz KOTRNBILWIOWSU-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001441583212 1391374578 /nfs/dbraw/zinc/37/45/78/1391374578.db2.gz KOTRNBILWIOWSU-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001441605680 1391382845 /nfs/dbraw/zinc/38/28/45/1391382845.db2.gz IWFXRQADPOUCTQ-ADKAHSJRSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001441617483 1391387043 /nfs/dbraw/zinc/38/70/43/1391387043.db2.gz NMYJNZJCRLMWEO-GOSISDBHSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001441617116 1391387168 /nfs/dbraw/zinc/38/71/68/1391387168.db2.gz CCMINUDBAJOOHJ-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1)C1CCC1 ZINC001441731773 1391410451 /nfs/dbraw/zinc/41/04/51/1391410451.db2.gz UJVOSVQKNNPEGJ-UHFFFAOYSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C/C=C\c2ccccc2)C[C@@H]1C ZINC001441855879 1391425293 /nfs/dbraw/zinc/42/52/93/1391425293.db2.gz FXYWYLKTPQPZKA-YFZQEUPRSA-N 1 3 329.488 2.621 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001444317854 1391470949 /nfs/dbraw/zinc/47/09/49/1391470949.db2.gz GDOZZQODKVHBHU-MRXNPFEDSA-N 1 3 331.504 2.575 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001445369875 1391526763 /nfs/dbraw/zinc/52/67/63/1391526763.db2.gz WYXNLSWSJNOQNI-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@H](CN(C)Cc1cc2ccccc2o1)NC(=O)C1CC[NH+](C)CC1 ZINC001445793792 1391541344 /nfs/dbraw/zinc/54/13/44/1391541344.db2.gz GIZUQQWXKXGKBN-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001447078994 1391691299 /nfs/dbraw/zinc/69/12/99/1391691299.db2.gz KFLIRDMOILDDPI-LPHOPBHVSA-N 1 3 340.471 2.932 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001448126327 1391978060 /nfs/dbraw/zinc/97/80/60/1391978060.db2.gz YWPXYYBAMAFHPX-GFCCVEGCSA-N 1 3 342.434 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001448126327 1391978064 /nfs/dbraw/zinc/97/80/64/1391978064.db2.gz YWPXYYBAMAFHPX-GFCCVEGCSA-N 1 3 342.434 2.523 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001448672049 1392160080 /nfs/dbraw/zinc/16/00/80/1392160080.db2.gz CZFFALIQTXTXNE-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001448680744 1392167591 /nfs/dbraw/zinc/16/75/91/1392167591.db2.gz OBLVQGYMFQLBGO-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001449064527 1392246756 /nfs/dbraw/zinc/24/67/56/1392246756.db2.gz WVONMMUMLBUWGD-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001449064512 1392246822 /nfs/dbraw/zinc/24/68/22/1392246822.db2.gz WVONMMUMLBUWGD-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC001450789658 1392752173 /nfs/dbraw/zinc/75/21/73/1392752173.db2.gz JRLBACBLGXVINS-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC001450789658 1392752174 /nfs/dbraw/zinc/75/21/74/1392752174.db2.gz JRLBACBLGXVINS-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001507089389 1406688326 /nfs/dbraw/zinc/68/83/26/1406688326.db2.gz MYKSYOXALRYCJX-VGMNTSGFSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN2CCC(C)CC2)cc1F ZINC001507134875 1406751314 /nfs/dbraw/zinc/75/13/14/1406751314.db2.gz IPQVJLQJTGKSAA-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460193087 1396012604 /nfs/dbraw/zinc/01/26/04/1396012604.db2.gz BYPLPJXVEAYEMK-WDSOQIARSA-N 1 3 334.504 2.865 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460193087 1396012609 /nfs/dbraw/zinc/01/26/09/1396012609.db2.gz BYPLPJXVEAYEMK-WDSOQIARSA-N 1 3 334.504 2.865 20 0 EFADHO CC1(C)CC2(CC([NH2+]C3CCC(C)(N4CCOCC4)CC3)C2)CO1 ZINC001462638046 1396445667 /nfs/dbraw/zinc/44/56/67/1396445667.db2.gz ZRTBMCIWWXYBBP-UHFFFAOYSA-N 1 3 336.520 2.957 20 0 EFADHO CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001466680195 1396772927 /nfs/dbraw/zinc/77/29/27/1396772927.db2.gz UNQDHMQHUYEQFD-WSTZPKSXSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001466680195 1396772936 /nfs/dbraw/zinc/77/29/36/1396772936.db2.gz UNQDHMQHUYEQFD-WSTZPKSXSA-N 1 3 343.515 2.982 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCCCN1C ZINC001471508728 1397180730 /nfs/dbraw/zinc/18/07/30/1397180730.db2.gz IVYKKLFGBYIFSC-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC001473808007 1397334499 /nfs/dbraw/zinc/33/44/99/1397334499.db2.gz AGYOZRSPENPDQJ-HNAYVOBHSA-N 1 3 345.874 2.849 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001473986053 1397361733 /nfs/dbraw/zinc/36/17/33/1397361733.db2.gz INQANXPZYWCLCD-INIZCTEOSA-N 1 3 349.567 2.618 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001477472722 1397535464 /nfs/dbraw/zinc/53/54/64/1397535464.db2.gz USTINBWFSWOUCV-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001477472722 1397535467 /nfs/dbraw/zinc/53/54/67/1397535467.db2.gz USTINBWFSWOUCV-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001479407876 1397717331 /nfs/dbraw/zinc/71/73/31/1397717331.db2.gz DVHMNVHYDBRSJW-UAPYVXQJSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001479828783 1397923830 /nfs/dbraw/zinc/92/38/30/1397923830.db2.gz FCPWCUHTPUCTKE-LPHOPBHVSA-N 1 3 340.471 2.554 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001480805002 1398324067 /nfs/dbraw/zinc/32/40/67/1398324067.db2.gz JZIWTFKMSVMLAB-SJKOYZFVSA-N 1 3 344.434 2.572 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001493160397 1398488461 /nfs/dbraw/zinc/48/84/61/1398488461.db2.gz IFISBKXTVZVHDK-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001493412934 1398686295 /nfs/dbraw/zinc/68/62/95/1398686295.db2.gz CZTSJQFUGXMCSF-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[N@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001493412934 1398686305 /nfs/dbraw/zinc/68/63/05/1398686305.db2.gz CZTSJQFUGXMCSF-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO CCCc1ccc(CN(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001493443197 1398711666 /nfs/dbraw/zinc/71/16/66/1398711666.db2.gz DPBAVIHNIIMKEU-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001493443197 1398711668 /nfs/dbraw/zinc/71/16/68/1398711668.db2.gz DPBAVIHNIIMKEU-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCCc3ccccc32)CCC1 ZINC001493575003 1398759079 /nfs/dbraw/zinc/75/90/79/1398759079.db2.gz QCEFUJMQZFTBIH-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794189 1398888515 /nfs/dbraw/zinc/88/85/15/1398888515.db2.gz SSUMANAOACCQRL-GXTWGEPZSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794189 1398888518 /nfs/dbraw/zinc/88/85/18/1398888518.db2.gz SSUMANAOACCQRL-GXTWGEPZSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@H]([NH2+]CCF)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001493849493 1398921541 /nfs/dbraw/zinc/92/15/41/1398921541.db2.gz JMSBENQBZAZXSA-HNNXBMFYSA-N 1 3 335.467 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001494171660 1399185270 /nfs/dbraw/zinc/18/52/70/1399185270.db2.gz KOIWGEQNJADUGH-ZWKOTPCHSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001494171660 1399185275 /nfs/dbraw/zinc/18/52/75/1399185275.db2.gz KOIWGEQNJADUGH-ZWKOTPCHSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001494173847 1399186727 /nfs/dbraw/zinc/18/67/27/1399186727.db2.gz XZVHQCRGDCWLES-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001494173847 1399186732 /nfs/dbraw/zinc/18/67/32/1399186732.db2.gz XZVHQCRGDCWLES-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001494723273 1399443501 /nfs/dbraw/zinc/44/35/01/1399443501.db2.gz UTBZRNLGLFVPPS-YTQUADARSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001494723273 1399443503 /nfs/dbraw/zinc/44/35/03/1399443503.db2.gz UTBZRNLGLFVPPS-YTQUADARSA-N 1 3 331.504 2.833 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001494908926 1399548934 /nfs/dbraw/zinc/54/89/34/1399548934.db2.gz GEQYJNWOFNYLFC-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001494997999 1399594536 /nfs/dbraw/zinc/59/45/36/1399594536.db2.gz AZSWICLOCDRYSM-IRXDYDNUSA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1Cl ZINC001495052629 1399629890 /nfs/dbraw/zinc/62/98/90/1399629890.db2.gz YMXWUNDHTWMMFX-HNNXBMFYSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001496079315 1400458045 /nfs/dbraw/zinc/45/80/45/1400458045.db2.gz JINQNTFXETUZED-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153828 1400506077 /nfs/dbraw/zinc/50/60/77/1400506077.db2.gz JWTKPCUZEWREIX-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192083 1400530246 /nfs/dbraw/zinc/53/02/46/1400530246.db2.gz AOPYNOSQTNJBSV-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001496370094 1400679363 /nfs/dbraw/zinc/67/93/63/1400679363.db2.gz MPZJITWGYFOWMO-GQNHIRNISA-N 1 3 349.906 2.941 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001496563284 1400831320 /nfs/dbraw/zinc/83/13/20/1400831320.db2.gz XESQOUOVMGFLSJ-LJQANCHMSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001496680902 1400916473 /nfs/dbraw/zinc/91/64/73/1400916473.db2.gz YFLHJAZYCNXTTD-YOEHRIQHSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001496680902 1400916475 /nfs/dbraw/zinc/91/64/75/1400916475.db2.gz YFLHJAZYCNXTTD-YOEHRIQHSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001496708427 1400933786 /nfs/dbraw/zinc/93/37/86/1400933786.db2.gz ZQDNUZZGXNPIIA-BJZITVGISA-N 1 3 347.478 2.543 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001496708427 1400933790 /nfs/dbraw/zinc/93/37/90/1400933790.db2.gz ZQDNUZZGXNPIIA-BJZITVGISA-N 1 3 347.478 2.543 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001496715948 1400937781 /nfs/dbraw/zinc/93/77/81/1400937781.db2.gz UGZVZICCEAVZHR-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001496715948 1400937783 /nfs/dbraw/zinc/93/77/83/1400937783.db2.gz UGZVZICCEAVZHR-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001496782386 1400979850 /nfs/dbraw/zinc/97/98/50/1400979850.db2.gz YPKQDIMRWSZSPW-GOSISDBHSA-N 1 3 345.531 2.524 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001496782386 1400979853 /nfs/dbraw/zinc/97/98/53/1400979853.db2.gz YPKQDIMRWSZSPW-GOSISDBHSA-N 1 3 345.531 2.524 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001496903026 1401090552 /nfs/dbraw/zinc/09/05/52/1401090552.db2.gz FAKZKWZLYPPZRS-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001497204819 1401217936 /nfs/dbraw/zinc/21/79/36/1401217936.db2.gz GLBKETVOSINBRC-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001497216123 1401224208 /nfs/dbraw/zinc/22/42/08/1401224208.db2.gz PZYGJJDZOWBSCY-DZGCQCFKSA-N 1 3 333.467 2.637 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498053158 1401832532 /nfs/dbraw/zinc/83/25/32/1401832532.db2.gz HBSUXZJFWBKMHO-KRWDZBQOSA-N 1 3 345.531 2.964 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001498769055 1402278650 /nfs/dbraw/zinc/27/86/50/1402278650.db2.gz GVMOAYMEKNEKTF-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1 ZINC001498769582 1402278701 /nfs/dbraw/zinc/27/87/01/1402278701.db2.gz IRGZKUSIMAYQNV-KXBFYZLASA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001499226802 1402528358 /nfs/dbraw/zinc/52/83/58/1402528358.db2.gz UICAVNZYPHFZNA-QGZVFWFLSA-N 1 3 349.906 2.951 20 0 EFADHO O=C(NCC1(NCc2ccc(Cl)cc2)CC1)C12CCC[NH+]1CCC2 ZINC001499278290 1402548563 /nfs/dbraw/zinc/54/85/63/1402548563.db2.gz BZLGWANOWNSJLL-UHFFFAOYSA-N 1 3 347.890 2.707 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001500273128 1403021621 /nfs/dbraw/zinc/02/16/21/1403021621.db2.gz ASIAETVWTWFMGU-FQEVSTJZSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001500273128 1403021624 /nfs/dbraw/zinc/02/16/24/1403021624.db2.gz ASIAETVWTWFMGU-FQEVSTJZSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(CC)c2)C1 ZINC001500397064 1403095292 /nfs/dbraw/zinc/09/52/92/1403095292.db2.gz NYBFVVPZMVJIMU-OAQYLSRUSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2c(C)cccc2C)C1 ZINC001501082977 1403433359 /nfs/dbraw/zinc/43/33/59/1403433359.db2.gz CKBCFPDZKMOYKQ-OALUTQOASA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001501172161 1403474799 /nfs/dbraw/zinc/47/47/99/1403474799.db2.gz QPOPIEAZMYPREK-REPLKXPHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001501172161 1403474800 /nfs/dbraw/zinc/47/48/00/1403474800.db2.gz QPOPIEAZMYPREK-REPLKXPHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001501641183 1403661971 /nfs/dbraw/zinc/66/19/71/1403661971.db2.gz ROTYRJWETSBJTD-RBUKOAKNSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001501681551 1403714099 /nfs/dbraw/zinc/71/40/99/1403714099.db2.gz LPZLBJQDBTYZJO-CQSZACIVSA-N 1 3 328.460 2.884 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCC1 ZINC001501960658 1403907452 /nfs/dbraw/zinc/90/74/52/1403907452.db2.gz QJPWWVMMIVIBTI-IBGZPJMESA-N 1 3 343.515 2.998 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001502167411 1404064073 /nfs/dbraw/zinc/06/40/73/1404064073.db2.gz YHPPXQSRVDDSLS-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001502167411 1404064085 /nfs/dbraw/zinc/06/40/85/1404064085.db2.gz YHPPXQSRVDDSLS-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001502400793 1404140820 /nfs/dbraw/zinc/14/08/20/1404140820.db2.gz ACZQFPDSGMJSOL-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001502400793 1404140826 /nfs/dbraw/zinc/14/08/26/1404140826.db2.gz ACZQFPDSGMJSOL-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO Cc1cccnc1CN(C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001502401605 1404142590 /nfs/dbraw/zinc/14/25/90/1404142590.db2.gz PDWQHKHTPNHZOJ-UHFFFAOYSA-N 1 3 346.519 2.546 20 0 EFADHO CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001503678504 1404498040 /nfs/dbraw/zinc/49/80/40/1404498040.db2.gz PXUABBOHNVKDKJ-IBGZPJMESA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1C ZINC001505459478 1404674801 /nfs/dbraw/zinc/67/48/01/1404674801.db2.gz QZHZJXVLLSAUCO-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C ZINC001505459478 1404674809 /nfs/dbraw/zinc/67/48/09/1404674809.db2.gz QZHZJXVLLSAUCO-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccccc1C1CC1 ZINC001505988727 1405310649 /nfs/dbraw/zinc/31/06/49/1405310649.db2.gz MPPINMYXDYSOBY-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001506063545 1405422548 /nfs/dbraw/zinc/42/25/48/1405422548.db2.gz SQBDBWGDBVYHGK-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001506628696 1406063642 /nfs/dbraw/zinc/06/36/42/1406063642.db2.gz XBILDQGBVYTEBZ-CVEARBPZSA-N 1 3 329.488 2.668 20 0 EFADHO C[NH+]1CCC2(CCN(Cc3cnc(C4CCOCC4)o3)CC2)CC1 ZINC001550659079 1413691781 /nfs/dbraw/zinc/69/17/81/1413691781.db2.gz GPTLJJIVFJBANO-UHFFFAOYSA-N 1 3 333.476 2.876 20 0 EFADHO CC(=O)Nc1ccccc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551237291 1413968169 /nfs/dbraw/zinc/96/81/69/1413968169.db2.gz CNMCRCZBWAZQEZ-UHFFFAOYSA-N 1 3 345.487 2.768 20 0 EFADHO Cc1nn(C)c(CNC2CCC(C)([NH+]3CCOCC3)CC2)c1Cl ZINC001551238354 1413969514 /nfs/dbraw/zinc/96/95/14/1413969514.db2.gz INRXBURGUWSSKR-UHFFFAOYSA-N 1 3 340.899 2.505 20 0 EFADHO Cc1nn(C)c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1Cl ZINC001551238354 1413969518 /nfs/dbraw/zinc/96/95/18/1413969518.db2.gz INRXBURGUWSSKR-UHFFFAOYSA-N 1 3 340.899 2.505 20 0 EFADHO COc1cc(F)cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551238085 1413970145 /nfs/dbraw/zinc/97/01/45/1413970145.db2.gz IRIQWGFENVOKKO-UHFFFAOYSA-N 1 3 336.451 2.957 20 0 EFADHO COCc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551237621 1413970162 /nfs/dbraw/zinc/97/01/62/1413970162.db2.gz ZMYVMCYZAYRGGF-UHFFFAOYSA-N 1 3 332.488 2.956 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC001551238737 1413970934 /nfs/dbraw/zinc/97/09/34/1413970934.db2.gz YPYYYVUBCQELFJ-SNBPALBFSA-N 1 3 336.520 2.815 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC001551389235 1414055307 /nfs/dbraw/zinc/05/53/07/1414055307.db2.gz KGTDXJULUFTLGX-OBXNSHGQSA-N 1 3 343.515 2.888 20 0 EFADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H]2CCCO[C@H]21 ZINC001551392172 1414057783 /nfs/dbraw/zinc/05/77/83/1414057783.db2.gz SLKJXUDWAJEIFC-SYJBPTKTSA-N 1 3 336.520 2.813 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)N(C)C)cc1 ZINC001551567570 1414127253 /nfs/dbraw/zinc/12/72/53/1414127253.db2.gz JZEGTSREPLBXKU-AGYKMIKPSA-N 1 3 344.503 2.557 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)N(C)C)cc1 ZINC001551567573 1414127388 /nfs/dbraw/zinc/12/73/88/1414127388.db2.gz JZEGTSREPLBXKU-NNVNDSJASA-N 1 3 344.503 2.557 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001552158716 1414357066 /nfs/dbraw/zinc/35/70/66/1414357066.db2.gz KYRYLOCQMJMMKH-KURKYZTESA-N 1 3 349.906 2.695 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001552158714 1414357473 /nfs/dbraw/zinc/35/74/73/1414357473.db2.gz KYRYLOCQMJMMKH-BZSNNMDCSA-N 1 3 349.906 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C3(CCCCC3)C2)CCN(C2CC2)C1 ZINC001552294264 1414407894 /nfs/dbraw/zinc/40/78/94/1414407894.db2.gz XFIMKWOMUQDFGX-IRXDYDNUSA-N 1 3 348.535 2.567 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC001552377710 1414444167 /nfs/dbraw/zinc/44/41/67/1414444167.db2.gz DLACYVKDFJNFKK-UZLBHIALSA-N 1 3 346.519 2.884 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCC[NH2+]C3)c2)CC1 ZINC001552425380 1414452769 /nfs/dbraw/zinc/45/27/69/1414452769.db2.gz MNHSNZRFKNAQOO-KRWDZBQOSA-N 1 3 344.503 2.545 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc21 ZINC001552469048 1414460373 /nfs/dbraw/zinc/46/03/73/1414460373.db2.gz IXUVCCSBSIBCMI-WMZOPIPTSA-N 1 3 338.455 2.924 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001552523017 1414477893 /nfs/dbraw/zinc/47/78/93/1414477893.db2.gz DLLYUHOSAOKRPA-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552523017 1414477896 /nfs/dbraw/zinc/47/78/96/1414477896.db2.gz DLLYUHOSAOKRPA-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552523017 1414477900 /nfs/dbraw/zinc/47/79/00/1414477900.db2.gz DLLYUHOSAOKRPA-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC001552524807 1414478277 /nfs/dbraw/zinc/47/82/77/1414478277.db2.gz KXTGKWAGQBSIGH-YZGWKJHDSA-N 1 3 346.519 2.931 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@]23CCC[C@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552828949 1414575633 /nfs/dbraw/zinc/57/56/33/1414575633.db2.gz JMTKUDOPDDUBHJ-NLWGTHIKSA-N 1 3 329.488 2.500 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552828948 1414576012 /nfs/dbraw/zinc/57/60/12/1414576012.db2.gz JMTKUDOPDDUBHJ-CMKODMSKSA-N 1 3 329.488 2.500 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552829303 1414577195 /nfs/dbraw/zinc/57/71/95/1414577195.db2.gz PBMOBUNOLMCLIJ-HFTRVMKXSA-N 1 3 333.501 2.533 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001553024363 1414648575 /nfs/dbraw/zinc/64/85/75/1414648575.db2.gz ZNOULFTZEUSQKZ-RBSFLKMASA-N 1 3 333.442 2.627 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)C1 ZINC001553023246 1414648593 /nfs/dbraw/zinc/64/85/93/1414648593.db2.gz CEGIETZTFDKGED-XNFNUYLZSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@]34CC[NH2+][C@@H]3CCCC4)n2)cc1 ZINC001553250921 1414751875 /nfs/dbraw/zinc/75/18/75/1414751875.db2.gz MHWXXUPECOIBAC-APWZRJJASA-N 1 3 326.444 2.972 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)N(C)C)cc1 ZINC001553444677 1414816136 /nfs/dbraw/zinc/81/61/36/1414816136.db2.gz XVEAHBAEKRQHLJ-ICSRJNTNSA-N 1 3 344.503 2.525 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC001646028503 1416603063 /nfs/dbraw/zinc/60/30/63/1416603063.db2.gz JVPXXSPCYCHTLA-DLBZAZTESA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC001646028503 1416603066 /nfs/dbraw/zinc/60/30/66/1416603066.db2.gz JVPXXSPCYCHTLA-DLBZAZTESA-N 1 3 337.508 2.660 20 0 EFADHO Oc1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495759 1416792981 /nfs/dbraw/zinc/79/29/81/1416792981.db2.gz BREKDQDSQKJKCG-UHFFFAOYSA-N 1 3 326.440 2.639 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136604744 1417301062 /nfs/dbraw/zinc/30/10/62/1417301062.db2.gz IWTZYHOJVCDEQM-UXHICEINSA-N 1 3 332.488 2.943 20 0 EFADHO CCNC(=O)N1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000152709073 1418253990 /nfs/dbraw/zinc/25/39/90/1418253990.db2.gz HJHZYDBZFXVDBE-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CCNC(=O)N1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000152709073 1418253995 /nfs/dbraw/zinc/25/39/95/1418253995.db2.gz HJHZYDBZFXVDBE-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000156517041 1418273929 /nfs/dbraw/zinc/27/39/29/1418273929.db2.gz ZVMKYFUEEMICAS-HXUWFJFHSA-N 1 3 325.456 2.637 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000156517041 1418273930 /nfs/dbraw/zinc/27/39/30/1418273930.db2.gz ZVMKYFUEEMICAS-HXUWFJFHSA-N 1 3 325.456 2.637 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001712954782 1418293824 /nfs/dbraw/zinc/29/38/24/1418293824.db2.gz SWGFGBNGUXSLON-GOSISDBHSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001712954782 1418293827 /nfs/dbraw/zinc/29/38/27/1418293827.db2.gz SWGFGBNGUXSLON-GOSISDBHSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001714784699 1418637062 /nfs/dbraw/zinc/63/70/62/1418637062.db2.gz IPRXJMGLTQVGCJ-LJQANCHMSA-N 1 3 333.520 2.944 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(CC(C)C)s2)CC1 ZINC000162501405 1418763763 /nfs/dbraw/zinc/76/37/63/1418763763.db2.gz QMDBMBFZIYHRCV-INIZCTEOSA-N 1 3 338.565 2.705 20 0 EFADHO CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001716343989 1418787948 /nfs/dbraw/zinc/78/79/48/1418787948.db2.gz NFQSLYPHJCSYAG-SGQUHAKNSA-N 1 3 331.504 2.714 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCCCF)C2)N(C)C ZINC001716724851 1418975938 /nfs/dbraw/zinc/97/59/38/1418975938.db2.gz OUUNSRBMKZVVET-HKUYNNGSSA-N 1 3 341.515 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCCCF)C2)N(C)C ZINC001716724851 1418975940 /nfs/dbraw/zinc/97/59/40/1418975940.db2.gz OUUNSRBMKZVVET-HKUYNNGSSA-N 1 3 341.515 2.781 20 0 EFADHO O=C(NC[C@@H]1CCCCCN1Cc1ccsc1)C12CC[NH+](CC1)C2 ZINC000969118412 712911854 /nfs/dbraw/zinc/91/18/54/712911854.db2.gz OJPBFWOKJRWPEL-KRWDZBQOSA-N 1 3 347.528 2.705 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144288 712932887 /nfs/dbraw/zinc/93/28/87/712932887.db2.gz IUUURIABMVBICX-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144288 712932890 /nfs/dbraw/zinc/93/28/90/712932890.db2.gz IUUURIABMVBICX-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000969144746 712934089 /nfs/dbraw/zinc/93/40/89/712934089.db2.gz SISSNBHBUILICV-MSOLQXFVSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000969144746 712934091 /nfs/dbraw/zinc/93/40/91/712934091.db2.gz SISSNBHBUILICV-MSOLQXFVSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969170722 712951337 /nfs/dbraw/zinc/95/13/37/712951337.db2.gz VNHMTYUHFRTBSS-SJORKVTESA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969170722 712951338 /nfs/dbraw/zinc/95/13/38/712951338.db2.gz VNHMTYUHFRTBSS-SJORKVTESA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1)[NH+]1CCCC1 ZINC001020463773 713039851 /nfs/dbraw/zinc/03/98/51/713039851.db2.gz JWKAWZLMCMKZEK-WKILWMFISA-N 1 3 349.906 2.951 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1F ZINC000969563599 713171358 /nfs/dbraw/zinc/17/13/58/713171358.db2.gz FWYVTMUELLBRFJ-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969654459 713205958 /nfs/dbraw/zinc/20/59/58/713205958.db2.gz QIAHBOSABJUHMG-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969654504 713206098 /nfs/dbraw/zinc/20/60/98/713206098.db2.gz QNNMNEVBXNZFBK-CRAIPNDOSA-N 1 3 335.536 2.732 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC000969660216 713208531 /nfs/dbraw/zinc/20/85/31/713208531.db2.gz OQVINWCJQCAJKT-PXNSSMCTSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000969660216 713208533 /nfs/dbraw/zinc/20/85/33/713208533.db2.gz OQVINWCJQCAJKT-PXNSSMCTSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969698870 713222658 /nfs/dbraw/zinc/22/26/58/713222658.db2.gz GDMGJWYKVBXILK-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969698870 713222661 /nfs/dbraw/zinc/22/26/61/713222661.db2.gz GDMGJWYKVBXILK-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792759 713263894 /nfs/dbraw/zinc/26/38/94/713263894.db2.gz KPRWHERINCOXNS-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792759 713263895 /nfs/dbraw/zinc/26/38/95/713263895.db2.gz KPRWHERINCOXNS-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799157 713265004 /nfs/dbraw/zinc/26/50/04/713265004.db2.gz UVPXRUNQZLZOFZ-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799157 713265005 /nfs/dbraw/zinc/26/50/05/713265005.db2.gz UVPXRUNQZLZOFZ-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020586035 713265554 /nfs/dbraw/zinc/26/55/54/713265554.db2.gz CNFLTUQMDRTDBV-SZMVWBNQSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001020586236 713265895 /nfs/dbraw/zinc/26/58/95/713265895.db2.gz IWFZPGNFKQEAAH-ATZDWAIDSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001020586239 713265917 /nfs/dbraw/zinc/26/59/17/713265917.db2.gz IXEGUVFCKPMORK-WDSOQIARSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001020588739 713267089 /nfs/dbraw/zinc/26/70/89/713267089.db2.gz KXPVBEVMBILDKI-SZMVWBNQSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(Cl)c1 ZINC001020588785 713267123 /nfs/dbraw/zinc/26/71/23/713267123.db2.gz MCSCTPPMCIRFSM-DTTOXWODSA-N 1 3 349.906 2.980 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020590502 713268177 /nfs/dbraw/zinc/26/81/77/713268177.db2.gz YRSJNLMAZBKFHL-WDSOQIARSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001020590513 713268271 /nfs/dbraw/zinc/26/82/71/713268271.db2.gz YWRHOWXUBDPXPI-QXCFHYIPSA-N 1 3 343.515 2.943 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592307 713269463 /nfs/dbraw/zinc/26/94/63/713269463.db2.gz BONXDJTUKVUTAE-ANQUJSFKSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592307 713269464 /nfs/dbraw/zinc/26/94/64/713269464.db2.gz BONXDJTUKVUTAE-ANQUJSFKSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1C ZINC001020591284 713269936 /nfs/dbraw/zinc/26/99/36/713269936.db2.gz JQGFAFOSZKBLMI-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC000969845283 713280061 /nfs/dbraw/zinc/28/00/61/713280061.db2.gz YJGDYXMKACTQKL-ARFHVFGLSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC000969845284 713280215 /nfs/dbraw/zinc/28/02/15/713280215.db2.gz YJGDYXMKACTQKL-BZUAXINKSA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845970 713280624 /nfs/dbraw/zinc/28/06/24/713280624.db2.gz OWQCAUNGLWDEHA-WOJBJXKFSA-N 1 3 345.531 2.568 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000969948267 713319327 /nfs/dbraw/zinc/31/93/27/713319327.db2.gz JMDSPZMQSJSESD-RBUKOAKNSA-N 1 3 343.515 2.787 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000969949661 713320427 /nfs/dbraw/zinc/32/04/27/713320427.db2.gz WVSOWEOETWFYMX-DOTOQJQBSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000969949661 713320429 /nfs/dbraw/zinc/32/04/29/713320429.db2.gz WVSOWEOETWFYMX-DOTOQJQBSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000969950016 713320604 /nfs/dbraw/zinc/32/06/04/713320604.db2.gz DJIANOFECMEPIY-MAUKXSAKSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969951791 713322175 /nfs/dbraw/zinc/32/21/75/713322175.db2.gz RALONTQBXFIVLT-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N2CC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC000969964675 713324617 /nfs/dbraw/zinc/32/46/17/713324617.db2.gz HRFLFXTVCNWIAK-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC000969964675 713324619 /nfs/dbraw/zinc/32/46/19/713324619.db2.gz HRFLFXTVCNWIAK-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000969955731 713323757 /nfs/dbraw/zinc/32/37/57/713323757.db2.gz SDAKAOXTWLFHMI-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(Cl)c1 ZINC000969956521 713324045 /nfs/dbraw/zinc/32/40/45/713324045.db2.gz XZDMWGZQJHWDIE-DOTOQJQBSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(Cl)c1 ZINC000969956521 713324046 /nfs/dbraw/zinc/32/40/46/713324046.db2.gz XZDMWGZQJHWDIE-DOTOQJQBSA-N 1 3 349.906 2.681 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC000969985956 713334625 /nfs/dbraw/zinc/33/46/25/713334625.db2.gz PFBDEWRBMTWNME-QRQLOZEOSA-N 1 3 347.478 2.734 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000077450139 713344139 /nfs/dbraw/zinc/34/41/39/713344139.db2.gz MGHBLDAVWVQOEG-UHFFFAOYSA-N 1 3 334.407 2.845 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018713 713344629 /nfs/dbraw/zinc/34/46/29/713344629.db2.gz CEAJXHJBOAPBTG-FXAWDEMLSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018713 713344630 /nfs/dbraw/zinc/34/46/30/713344630.db2.gz CEAJXHJBOAPBTG-FXAWDEMLSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001020676187 713345820 /nfs/dbraw/zinc/34/58/20/713345820.db2.gz VXBBEEYAORRGES-UFYCRDLUSA-N 1 3 343.515 2.729 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001020676044 713345996 /nfs/dbraw/zinc/34/59/96/713345996.db2.gz PNBWDRSMDUAVHM-UFYCRDLUSA-N 1 3 343.515 2.995 20 0 EFADHO C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970049972 713360522 /nfs/dbraw/zinc/36/05/22/713360522.db2.gz JKRKKSQFNIMLTG-DLBZAZTESA-N 1 3 341.499 2.813 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2cccc(C)c2)CC[N@@H+]1C ZINC001027893559 717896494 /nfs/dbraw/zinc/89/64/94/717896494.db2.gz ZEUORFLNZJRHHL-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2cccc(C)c2)CC[N@H+]1C ZINC001027893559 717896497 /nfs/dbraw/zinc/89/64/97/717896497.db2.gz ZEUORFLNZJRHHL-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)CC1 ZINC001020865874 713422673 /nfs/dbraw/zinc/42/26/73/713422673.db2.gz PVQLGOUBKXXWFF-IYARVYRRSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112136 713429404 /nfs/dbraw/zinc/42/94/04/713429404.db2.gz CWADWEDTZJALKH-RBUKOAKNSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112136 713429406 /nfs/dbraw/zinc/42/94/06/713429406.db2.gz CWADWEDTZJALKH-RBUKOAKNSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001020981266 713466407 /nfs/dbraw/zinc/46/64/07/713466407.db2.gz CZFNKCKABCTOMP-KBRIMQKVSA-N 1 3 326.444 2.567 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001020981476 713466491 /nfs/dbraw/zinc/46/64/91/713466491.db2.gz HTANXSMZGPERSM-BRWVUGGUSA-N 1 3 326.444 2.649 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134684 713471462 /nfs/dbraw/zinc/47/14/62/713471462.db2.gz UCWYHWMFSHCMNR-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134684 713471465 /nfs/dbraw/zinc/47/14/65/713471465.db2.gz UCWYHWMFSHCMNR-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000970176627 713506412 /nfs/dbraw/zinc/50/64/12/713506412.db2.gz FMINLMHDYGYAEM-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000970177421 713507036 /nfs/dbraw/zinc/50/70/36/713507036.db2.gz VVHQJCDXSSRKQM-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC000970177676 713508459 /nfs/dbraw/zinc/50/84/59/713508459.db2.gz BJSMNLDNEGVABX-GOSISDBHSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001021090987 713562843 /nfs/dbraw/zinc/56/28/43/713562843.db2.gz PXWDQOPOCIMVNS-KPOQHDDYSA-N 1 3 333.520 2.676 20 0 EFADHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC4CCC3CC4)C2)cn1 ZINC001021100606 713569359 /nfs/dbraw/zinc/56/93/59/713569359.db2.gz NDJSPTSKUGGWPQ-NLZHUQCOSA-N 1 3 343.471 2.653 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317808 713627391 /nfs/dbraw/zinc/62/73/91/713627391.db2.gz LASVWOVYMSGWHN-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317808 713627392 /nfs/dbraw/zinc/62/73/92/713627392.db2.gz LASVWOVYMSGWHN-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)CC1 ZINC000970335701 713644690 /nfs/dbraw/zinc/64/46/90/713644690.db2.gz UKMSVPGBYXFOJB-LJQANCHMSA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021253817 713713667 /nfs/dbraw/zinc/71/36/67/713713667.db2.gz AWNIXEJWZZCYJE-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021253817 713713669 /nfs/dbraw/zinc/71/36/69/713713669.db2.gz AWNIXEJWZZCYJE-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001021256570 713715168 /nfs/dbraw/zinc/71/51/68/713715168.db2.gz HYTWIDSNPMDFPA-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001021256570 713715170 /nfs/dbraw/zinc/71/51/70/713715170.db2.gz HYTWIDSNPMDFPA-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021274367 713726076 /nfs/dbraw/zinc/72/60/76/713726076.db2.gz UZLWVPRWYKAYQK-IPQPSQTFSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021274367 713726078 /nfs/dbraw/zinc/72/60/78/713726078.db2.gz UZLWVPRWYKAYQK-IPQPSQTFSA-N 1 3 333.520 2.773 20 0 EFADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039181962 713760037 /nfs/dbraw/zinc/76/00/37/713760037.db2.gz FWBYAKDVTMMDEC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039181962 713760039 /nfs/dbraw/zinc/76/00/39/713760039.db2.gz FWBYAKDVTMMDEC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)C1 ZINC001021380500 713852241 /nfs/dbraw/zinc/85/22/41/713852241.db2.gz IOSVLSNWOZUQDO-UXDRXVOSSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)C1 ZINC001021380500 713852244 /nfs/dbraw/zinc/85/22/44/713852244.db2.gz IOSVLSNWOZUQDO-UXDRXVOSSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001021380800 713852837 /nfs/dbraw/zinc/85/28/37/713852837.db2.gz WIRWXCIGAQKSEO-OHSMVPPVSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001021380800 713852839 /nfs/dbraw/zinc/85/28/39/713852839.db2.gz WIRWXCIGAQKSEO-OHSMVPPVSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCCC1 ZINC001021399137 713873092 /nfs/dbraw/zinc/87/30/92/713873092.db2.gz AHVILIUPDLRQLS-CSNJMZFVSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCCC1 ZINC001021399137 713873094 /nfs/dbraw/zinc/87/30/94/713873094.db2.gz AHVILIUPDLRQLS-CSNJMZFVSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001021447774 713924658 /nfs/dbraw/zinc/92/46/58/713924658.db2.gz BBNNVZLXQVELOS-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001021447774 713924660 /nfs/dbraw/zinc/92/46/60/713924660.db2.gz BBNNVZLXQVELOS-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021447700 713924697 /nfs/dbraw/zinc/92/46/97/713924697.db2.gz WYKNDHPXSVPSEG-ALOPSCKCSA-N 1 3 330.476 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021447700 713924699 /nfs/dbraw/zinc/92/46/99/713924699.db2.gz WYKNDHPXSVPSEG-ALOPSCKCSA-N 1 3 330.476 2.562 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000970717216 713931594 /nfs/dbraw/zinc/93/15/94/713931594.db2.gz LKVOGHBZVSXBCW-KDOFPFPSSA-N 1 3 347.890 2.614 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000970795851 714001871 /nfs/dbraw/zinc/00/18/71/714001871.db2.gz HHRMEFFALOCBTE-LJQANCHMSA-N 1 3 337.467 2.753 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000970796240 714002318 /nfs/dbraw/zinc/00/23/18/714002318.db2.gz JYJKULOPZXHBHO-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)[NH+]1CCCC1 ZINC000970801327 714007636 /nfs/dbraw/zinc/00/76/36/714007636.db2.gz XLSGBGFVTVKFBV-SJORKVTESA-N 1 3 335.517 2.559 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000970800104 714009102 /nfs/dbraw/zinc/00/91/02/714009102.db2.gz LMOOEXAEPZDIQU-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC000980228441 717946674 /nfs/dbraw/zinc/94/66/74/717946674.db2.gz FVVFOUNTROVSEX-IXDOHACOSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC000980228441 717946677 /nfs/dbraw/zinc/94/66/77/717946677.db2.gz FVVFOUNTROVSEX-IXDOHACOSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C1 ZINC000980229036 717947431 /nfs/dbraw/zinc/94/74/31/717947431.db2.gz HVAYFKYYXKQNOW-BRWVUGGUSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C1 ZINC000980229036 717947435 /nfs/dbraw/zinc/94/74/35/717947435.db2.gz HVAYFKYYXKQNOW-BRWVUGGUSA-N 1 3 346.519 2.914 20 0 EFADHO CC(C)c1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970870763 714089130 /nfs/dbraw/zinc/08/91/30/714089130.db2.gz VYCUIZWUCSJFIV-QFBILLFUSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970870763 714089133 /nfs/dbraw/zinc/08/91/33/714089133.db2.gz VYCUIZWUCSJFIV-QFBILLFUSA-N 1 3 343.515 2.698 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CCC2)C1 ZINC000970916205 714131577 /nfs/dbraw/zinc/13/15/77/714131577.db2.gz JVXXPDGRIOCZMO-OAHLLOKOSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970927761 714142996 /nfs/dbraw/zinc/14/29/96/714142996.db2.gz GFVGQYRMFDXLTJ-MRXNPFEDSA-N 1 3 329.488 2.765 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000970928826 714143975 /nfs/dbraw/zinc/14/39/75/714143975.db2.gz MJYNHKDGORUHGI-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604369 714165313 /nfs/dbraw/zinc/16/53/13/714165313.db2.gz CJHKOHKGGLCEMR-MJGOQNOKSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604369 714165314 /nfs/dbraw/zinc/16/53/14/714165314.db2.gz CJHKOHKGGLCEMR-MJGOQNOKSA-N 1 3 333.520 2.750 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]21)C1CCC1 ZINC001021606453 714166464 /nfs/dbraw/zinc/16/64/64/714166464.db2.gz QEPSRECSEWRLJP-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21)C1CCC1 ZINC001021606453 714166467 /nfs/dbraw/zinc/16/64/67/714166467.db2.gz QEPSRECSEWRLJP-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)CC[C@H]21)C1CCC1 ZINC001021606554 714169076 /nfs/dbraw/zinc/16/90/76/714169076.db2.gz RIKJNQRYHJFBDZ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCC3)CC[C@H]21)C1CCC1 ZINC001021606554 714169078 /nfs/dbraw/zinc/16/90/78/714169078.db2.gz RIKJNQRYHJFBDZ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671579 714275130 /nfs/dbraw/zinc/27/51/30/714275130.db2.gz SYOBFBNLSQSLBO-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671579 714275131 /nfs/dbraw/zinc/27/51/31/714275131.db2.gz SYOBFBNLSQSLBO-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679066 714289527 /nfs/dbraw/zinc/28/95/27/714289527.db2.gz LNPPKMFPYGZOJC-WMZOPIPTSA-N 1 3 344.503 2.701 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@H]3[C@@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679066 714289529 /nfs/dbraw/zinc/28/95/29/714289529.db2.gz LNPPKMFPYGZOJC-WMZOPIPTSA-N 1 3 344.503 2.701 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891348548 714435478 /nfs/dbraw/zinc/43/54/78/714435478.db2.gz DTGBNNQWGRWCSH-BHIYHBOVSA-N 1 3 344.503 2.640 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000891349856 714437798 /nfs/dbraw/zinc/43/77/98/714437798.db2.gz XCSWKLXATKMSKK-JKSUJKDBSA-N 1 3 338.521 2.524 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200253 714461202 /nfs/dbraw/zinc/46/12/02/714461202.db2.gz GAEJOUPVWPQYPV-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200253 714461203 /nfs/dbraw/zinc/46/12/03/714461203.db2.gz GAEJOUPVWPQYPV-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000971202356 714462513 /nfs/dbraw/zinc/46/25/13/714462513.db2.gz VATPHOZESBOPID-AZUAARDMSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000971202356 714462514 /nfs/dbraw/zinc/46/25/14/714462514.db2.gz VATPHOZESBOPID-AZUAARDMSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000971202357 714462558 /nfs/dbraw/zinc/46/25/58/714462558.db2.gz VATPHOZESBOPID-ICSRJNTNSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000971202357 714462559 /nfs/dbraw/zinc/46/25/59/714462559.db2.gz VATPHOZESBOPID-ICSRJNTNSA-N 1 3 343.515 2.739 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207216 714464061 /nfs/dbraw/zinc/46/40/61/714464061.db2.gz AIYOKFWCCCUXHK-ZWKOTPCHSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207216 714464062 /nfs/dbraw/zinc/46/40/62/714464062.db2.gz AIYOKFWCCCUXHK-ZWKOTPCHSA-N 1 3 349.906 2.509 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524890 714689515 /nfs/dbraw/zinc/68/95/15/714689515.db2.gz LQOVSFKZZBGARM-RTBURBONSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524890 714689516 /nfs/dbraw/zinc/68/95/16/714689516.db2.gz LQOVSFKZZBGARM-RTBURBONSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022069881 714721059 /nfs/dbraw/zinc/72/10/59/714721059.db2.gz OGNOYPJIHDGSRP-FGTMMUONSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1)N1CCCCC1 ZINC001022081511 714734540 /nfs/dbraw/zinc/73/45/40/714734540.db2.gz HPKZPARFBFNZBK-IYBDPMFKSA-N 1 3 349.544 2.792 20 0 EFADHO CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000891459780 714764704 /nfs/dbraw/zinc/76/47/04/714764704.db2.gz KZFGAXHGTRYJLP-MOPGFXCFSA-N 1 3 344.503 2.525 20 0 EFADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1)C1CCCC1 ZINC000891559260 714824283 /nfs/dbraw/zinc/82/42/83/714824283.db2.gz DAPAPBLWNDBKMQ-HHXXYDBFSA-N 1 3 348.535 2.552 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678556 714875413 /nfs/dbraw/zinc/87/54/13/714875413.db2.gz OAZMDYJRBAEHDT-UYAOXDASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678556 714875415 /nfs/dbraw/zinc/87/54/15/714875415.db2.gz OAZMDYJRBAEHDT-UYAOXDASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679891 714877789 /nfs/dbraw/zinc/87/77/89/714877789.db2.gz XCKHQUNDHMAQLU-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679891 714877791 /nfs/dbraw/zinc/87/77/91/714877791.db2.gz XCKHQUNDHMAQLU-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681448 714878091 /nfs/dbraw/zinc/87/80/91/714878091.db2.gz CTKNLHJOYMWBBT-ZWKOTPCHSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681448 714878093 /nfs/dbraw/zinc/87/80/93/714878093.db2.gz CTKNLHJOYMWBBT-ZWKOTPCHSA-N 1 3 349.906 2.713 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000971688000 714882929 /nfs/dbraw/zinc/88/29/29/714882929.db2.gz SDXCNYLYFVOAQM-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000971688000 714882930 /nfs/dbraw/zinc/88/29/30/714882930.db2.gz SDXCNYLYFVOAQM-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684885 714884585 /nfs/dbraw/zinc/88/45/85/714884585.db2.gz JXVDHSZLGSXGGY-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684885 714884586 /nfs/dbraw/zinc/88/45/86/714884586.db2.gz JXVDHSZLGSXGGY-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971685741 714885002 /nfs/dbraw/zinc/88/50/02/714885002.db2.gz OWMCBLHVTCZOOR-MOPGFXCFSA-N 1 3 347.478 2.507 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686813 714886187 /nfs/dbraw/zinc/88/61/87/714886187.db2.gz FYHDDVBKKQRCOX-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686813 714886189 /nfs/dbraw/zinc/88/61/89/714886189.db2.gz FYHDDVBKKQRCOX-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686706 714886599 /nfs/dbraw/zinc/88/65/99/714886599.db2.gz FFRLVIHCMSNNBP-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686706 714886601 /nfs/dbraw/zinc/88/66/01/714886601.db2.gz FFRLVIHCMSNNBP-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686557 714886614 /nfs/dbraw/zinc/88/66/14/714886614.db2.gz SLBDRSNZBWKINV-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686557 714886616 /nfs/dbraw/zinc/88/66/16/714886616.db2.gz SLBDRSNZBWKINV-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689863 714887804 /nfs/dbraw/zinc/88/78/04/714887804.db2.gz NSVIXMVUFVWOST-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689863 714887806 /nfs/dbraw/zinc/88/78/06/714887806.db2.gz NSVIXMVUFVWOST-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000971690102 714888407 /nfs/dbraw/zinc/88/84/07/714888407.db2.gz OZXDDHLODRSWOB-GOSISDBHSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000971690102 714888409 /nfs/dbraw/zinc/88/84/09/714888409.db2.gz OZXDDHLODRSWOB-GOSISDBHSA-N 1 3 349.544 2.882 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971715138 714904050 /nfs/dbraw/zinc/90/40/50/714904050.db2.gz DYYKMTJYDHZTEE-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971715138 714904051 /nfs/dbraw/zinc/90/40/51/714904051.db2.gz DYYKMTJYDHZTEE-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971734775 714921264 /nfs/dbraw/zinc/92/12/64/714921264.db2.gz FUUWICKJMXBWSS-PMACEKPBSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971734775 714921267 /nfs/dbraw/zinc/92/12/67/714921267.db2.gz FUUWICKJMXBWSS-PMACEKPBSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971737446 714922761 /nfs/dbraw/zinc/92/27/61/714922761.db2.gz WMZWPHKLFNTNCT-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971737446 714922762 /nfs/dbraw/zinc/92/27/62/714922762.db2.gz WMZWPHKLFNTNCT-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000971780453 714953818 /nfs/dbraw/zinc/95/38/18/714953818.db2.gz ZHUYRUOVZKIXAK-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000971780453 714953820 /nfs/dbraw/zinc/95/38/20/714953820.db2.gz ZHUYRUOVZKIXAK-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971777526 714956208 /nfs/dbraw/zinc/95/62/08/714956208.db2.gz DSSSKPBYQHAWKF-VQTJNVASSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971777526 714956212 /nfs/dbraw/zinc/95/62/12/714956212.db2.gz DSSSKPBYQHAWKF-VQTJNVASSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000971778200 714956630 /nfs/dbraw/zinc/95/66/30/714956630.db2.gz KUXHRVNUSQCIIF-UYAOXDASSA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000971778200 714956633 /nfs/dbraw/zinc/95/66/33/714956633.db2.gz KUXHRVNUSQCIIF-UYAOXDASSA-N 1 3 345.531 2.985 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971784457 714957648 /nfs/dbraw/zinc/95/76/48/714957648.db2.gz JOUVVKAWJFPPCT-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971784457 714957651 /nfs/dbraw/zinc/95/76/51/714957651.db2.gz JOUVVKAWJFPPCT-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000971785007 714958642 /nfs/dbraw/zinc/95/86/42/714958642.db2.gz PLJWPXHULJFMGS-QZTJIDSGSA-N 1 3 335.467 2.529 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000971785007 714958643 /nfs/dbraw/zinc/95/86/43/714958643.db2.gz PLJWPXHULJFMGS-QZTJIDSGSA-N 1 3 335.467 2.529 20 0 EFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000891722524 714976353 /nfs/dbraw/zinc/97/63/53/714976353.db2.gz DYSGYGZSXAZHBB-BZSNNMDCSA-N 1 3 344.503 2.509 20 0 EFADHO CN(CC1CC[NH+](C)CC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891871854 715079796 /nfs/dbraw/zinc/07/97/96/715079796.db2.gz WEALHBRVPMCHHG-LJQANCHMSA-N 1 3 330.451 2.922 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000891894896 715098210 /nfs/dbraw/zinc/09/82/10/715098210.db2.gz VRWNFOIVAHFDIT-CGTJXYLNSA-N 1 3 346.519 2.755 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)N(C)C)cc1 ZINC000891898704 715101432 /nfs/dbraw/zinc/10/14/32/715101432.db2.gz AWWNLDGCIBPRCI-WDSOQIARSA-N 1 3 346.519 2.524 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1)[NH+]1CCCC1 ZINC001022533984 715198818 /nfs/dbraw/zinc/19/88/18/715198818.db2.gz JWKAWZLMCMKZEK-IYBDPMFKSA-N 1 3 349.906 2.951 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035081 715227341 /nfs/dbraw/zinc/22/73/41/715227341.db2.gz XYTNUZJIEMVQRX-APWZRJJASA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035081 715227343 /nfs/dbraw/zinc/22/73/43/715227343.db2.gz XYTNUZJIEMVQRX-APWZRJJASA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035081 715227344 /nfs/dbraw/zinc/22/73/44/715227344.db2.gz XYTNUZJIEMVQRX-APWZRJJASA-N 1 3 339.524 2.907 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068948 715289889 /nfs/dbraw/zinc/28/98/89/715289889.db2.gz HMRXHDQJARBZEI-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)[NH+]1CCN(C2CCN(Cc3cnn(C4CCC4)c3)CC2)CC1 ZINC000892192772 715317996 /nfs/dbraw/zinc/31/79/96/715317996.db2.gz OWBLNHXJESPIHS-UHFFFAOYSA-N 1 3 345.535 2.599 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042323 715337197 /nfs/dbraw/zinc/33/71/97/715337197.db2.gz BAUQPIUVBWQZQZ-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001022710290 715401354 /nfs/dbraw/zinc/40/13/54/715401354.db2.gz CQZGCHRPHLVYTF-GBESFXJTSA-N 1 3 343.515 2.833 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)c1 ZINC000974991882 715406199 /nfs/dbraw/zinc/40/61/99/715406199.db2.gz FYYLQRXHVQBCCQ-IBGZPJMESA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001022712396 715408499 /nfs/dbraw/zinc/40/84/99/715408499.db2.gz QCECXSSVHJVXRI-CKNFYHOISA-N 1 3 345.462 2.534 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC001022711621 715408813 /nfs/dbraw/zinc/40/88/13/715408813.db2.gz CEXIKQGQVVEYSQ-FPCVCCKLSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001022712633 715412291 /nfs/dbraw/zinc/41/22/91/715412291.db2.gz VYGIISVFWOZIHN-FPCVCCKLSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001022712964 715413637 /nfs/dbraw/zinc/41/36/37/715413637.db2.gz DXNTUBVDGPSAHB-ZOCIIQOWSA-N 1 3 343.515 2.690 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001022713027 715413681 /nfs/dbraw/zinc/41/36/81/715413681.db2.gz HIKQXLKXVMESIF-OQIJWPOYSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001022712866 715413982 /nfs/dbraw/zinc/41/39/82/715413982.db2.gz CEEJODPXKQRGIA-RYQLBKOJSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001027062835 715414661 /nfs/dbraw/zinc/41/46/61/715414661.db2.gz COQISGKIXCVYDQ-MSOLQXFVSA-N 1 3 343.515 2.918 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027062895 715414763 /nfs/dbraw/zinc/41/47/63/715414763.db2.gz DMIUIUVJJVVIBS-GOSISDBHSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001022713576 715415337 /nfs/dbraw/zinc/41/53/37/715415337.db2.gz KXAGDLXOQLFRHJ-JFRXWTBNSA-N 1 3 329.488 2.635 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063229 715415360 /nfs/dbraw/zinc/41/53/60/715415360.db2.gz JFIUXLYCQDBYNM-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063097 715415443 /nfs/dbraw/zinc/41/54/43/715415443.db2.gz HKODUXNWCPDAIF-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(Cl)c1 ZINC001022713749 715418623 /nfs/dbraw/zinc/41/86/23/715418623.db2.gz MCSCTPPMCIRFSM-DFEHZGFQSA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027065369 715421022 /nfs/dbraw/zinc/42/10/22/715421022.db2.gz XGIAPSZYFLODOZ-XLIONFOSSA-N 1 3 343.515 2.529 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001027066248 715421920 /nfs/dbraw/zinc/42/19/20/715421920.db2.gz NFFNNTLWUVDZNS-IBGZPJMESA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC001022714954 715424355 /nfs/dbraw/zinc/42/43/55/715424355.db2.gz ATJIHYZELKAYMA-OIISXLGYSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022716488 715433099 /nfs/dbraw/zinc/43/30/99/715433099.db2.gz XUQMTMGAPVPGOG-XWIAVFTESA-N 1 3 349.906 2.727 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001022716659 715433851 /nfs/dbraw/zinc/43/38/51/715433851.db2.gz DITMCEWAROBKPQ-JCGIZDLHSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001022716958 715434268 /nfs/dbraw/zinc/43/42/68/715434268.db2.gz KWQSLKZTXSHJNG-JCGIZDLHSA-N 1 3 347.478 2.855 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC001022716994 715434984 /nfs/dbraw/zinc/43/49/84/715434984.db2.gz LWPSYRISFMQXIR-SCTDSRPQSA-N 1 3 341.499 2.643 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001022717234 715436104 /nfs/dbraw/zinc/43/61/04/715436104.db2.gz UQRZNWCDVKYFIW-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022717506 715436586 /nfs/dbraw/zinc/43/65/86/715436586.db2.gz ZLALVNUADOXFPA-CWRNSKLLSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022717505 715436656 /nfs/dbraw/zinc/43/66/56/715436656.db2.gz ZLALVNUADOXFPA-BMFZPTHFSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331269 715466087 /nfs/dbraw/zinc/46/60/87/715466087.db2.gz FDVKJUVDDDWQOB-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331269 715466088 /nfs/dbraw/zinc/46/60/88/715466088.db2.gz FDVKJUVDDDWQOB-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001027334968 715467899 /nfs/dbraw/zinc/46/78/99/715467899.db2.gz ZFSVPAQRWFFRCL-SJORKVTESA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001027334968 715467903 /nfs/dbraw/zinc/46/79/03/715467903.db2.gz ZFSVPAQRWFFRCL-SJORKVTESA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331830 715468786 /nfs/dbraw/zinc/46/87/86/715468786.db2.gz JPSFPTUQHPIQTO-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331830 715468788 /nfs/dbraw/zinc/46/87/88/715468788.db2.gz JPSFPTUQHPIQTO-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001027070759 715495292 /nfs/dbraw/zinc/49/52/92/715495292.db2.gz XFBODUAVASDBPY-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091325 715544681 /nfs/dbraw/zinc/54/46/81/715544681.db2.gz JVIFFJRLGARXRX-IAGOWNOFSA-N 1 3 340.471 2.768 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091443 715545905 /nfs/dbraw/zinc/54/59/05/715545905.db2.gz MYYRXDPZRDEWRP-QGZVFWFLSA-N 1 3 340.471 2.714 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC001027092072 715546666 /nfs/dbraw/zinc/54/66/66/715546666.db2.gz ZXCDMUWECKAYMO-MRXNPFEDSA-N 1 3 348.450 2.744 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972267154 715614822 /nfs/dbraw/zinc/61/48/22/715614822.db2.gz SMQSLBSSNXWJLO-AZUAARDMSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972267154 715614824 /nfs/dbraw/zinc/61/48/24/715614824.db2.gz SMQSLBSSNXWJLO-AZUAARDMSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000972268782 715616336 /nfs/dbraw/zinc/61/63/36/715616336.db2.gz ZPJVAKVDGDFIOS-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000972268782 715616337 /nfs/dbraw/zinc/61/63/37/715616337.db2.gz ZPJVAKVDGDFIOS-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325925 715691707 /nfs/dbraw/zinc/69/17/07/715691707.db2.gz DYHXKUPCMOKUCL-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325925 715691710 /nfs/dbraw/zinc/69/17/10/715691710.db2.gz DYHXKUPCMOKUCL-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325925 715691713 /nfs/dbraw/zinc/69/17/13/715691713.db2.gz DYHXKUPCMOKUCL-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325925 715691715 /nfs/dbraw/zinc/69/17/15/715691715.db2.gz DYHXKUPCMOKUCL-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329789 715699177 /nfs/dbraw/zinc/69/91/77/715699177.db2.gz BKIOPPJYDBRCOH-RTBURBONSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329789 715699181 /nfs/dbraw/zinc/69/91/81/715699181.db2.gz BKIOPPJYDBRCOH-RTBURBONSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972331278 715699688 /nfs/dbraw/zinc/69/96/88/715699688.db2.gz JAHHGTHDWSBCQA-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972331278 715699690 /nfs/dbraw/zinc/69/96/90/715699690.db2.gz JAHHGTHDWSBCQA-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330433 715701048 /nfs/dbraw/zinc/70/10/48/715701048.db2.gz GFYDMKXMYRWJNQ-FUHWJXTLSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330433 715701054 /nfs/dbraw/zinc/70/10/54/715701054.db2.gz GFYDMKXMYRWJNQ-FUHWJXTLSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330434 715701166 /nfs/dbraw/zinc/70/11/66/715701166.db2.gz GFYDMKXMYRWJNQ-SJLPKXTDSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330434 715701172 /nfs/dbraw/zinc/70/11/72/715701172.db2.gz GFYDMKXMYRWJNQ-SJLPKXTDSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972331976 715701893 /nfs/dbraw/zinc/70/18/93/715701893.db2.gz NQSHXVDSYYROKI-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972331976 715701897 /nfs/dbraw/zinc/70/18/97/715701897.db2.gz NQSHXVDSYYROKI-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332021 715702054 /nfs/dbraw/zinc/70/20/54/715702054.db2.gz ACZHCUDRCLRANM-CRAIPNDOSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332021 715702058 /nfs/dbraw/zinc/70/20/58/715702058.db2.gz ACZHCUDRCLRANM-CRAIPNDOSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000972332234 715702448 /nfs/dbraw/zinc/70/24/48/715702448.db2.gz ORBJWHCYDYIFNG-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000972332234 715702456 /nfs/dbraw/zinc/70/24/56/715702456.db2.gz ORBJWHCYDYIFNG-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000972332236 715703072 /nfs/dbraw/zinc/70/30/72/715703072.db2.gz ORBJWHCYDYIFNG-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000972332236 715703077 /nfs/dbraw/zinc/70/30/77/715703077.db2.gz ORBJWHCYDYIFNG-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000972332249 715703197 /nfs/dbraw/zinc/70/31/97/715703197.db2.gz BLTNZKNQSPBASH-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000972332249 715703202 /nfs/dbraw/zinc/70/32/02/715703202.db2.gz BLTNZKNQSPBASH-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000972331484 715703687 /nfs/dbraw/zinc/70/36/87/715703687.db2.gz LIYRDJLTHPDQGC-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000972331484 715703694 /nfs/dbraw/zinc/70/36/94/715703694.db2.gz LIYRDJLTHPDQGC-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972332937 715704613 /nfs/dbraw/zinc/70/46/13/715704613.db2.gz RZZRJFYXCLNYMM-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972332937 715704616 /nfs/dbraw/zinc/70/46/16/715704616.db2.gz RZZRJFYXCLNYMM-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338153 715714818 /nfs/dbraw/zinc/71/48/18/715714818.db2.gz DRDDAEFCPAUCFF-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338153 715714822 /nfs/dbraw/zinc/71/48/22/715714822.db2.gz DRDDAEFCPAUCFF-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO C[N@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972340336 715718173 /nfs/dbraw/zinc/71/81/73/715718173.db2.gz RATCHUOFEKDLNF-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CCC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972340336 715718177 /nfs/dbraw/zinc/71/81/77/715718177.db2.gz RATCHUOFEKDLNF-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027417102 715722084 /nfs/dbraw/zinc/72/20/84/715722084.db2.gz UQMNQHNUSSADSU-HYVNUMGLSA-N 1 3 335.517 2.511 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027417102 715722089 /nfs/dbraw/zinc/72/20/89/715722089.db2.gz UQMNQHNUSSADSU-HYVNUMGLSA-N 1 3 335.517 2.511 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001027416338 715728646 /nfs/dbraw/zinc/72/86/46/715728646.db2.gz FJRSEVPQYQNFAT-BPQIPLTHSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001027416338 715728648 /nfs/dbraw/zinc/72/86/48/715728648.db2.gz FJRSEVPQYQNFAT-BPQIPLTHSA-N 1 3 349.544 2.820 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001022808187 715730059 /nfs/dbraw/zinc/73/00/59/715730059.db2.gz QQHNOEHLHZDLOZ-NXHRZFHOSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022807679 715730066 /nfs/dbraw/zinc/73/00/66/715730066.db2.gz KPSSHWFVOMYEHU-IXDOHACOSA-N 1 3 335.517 2.748 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027419484 715737078 /nfs/dbraw/zinc/73/70/78/715737078.db2.gz RBFLBFXBLXGSLX-OKZBNKHCSA-N 1 3 349.544 2.901 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027419484 715737083 /nfs/dbraw/zinc/73/70/83/715737083.db2.gz RBFLBFXBLXGSLX-OKZBNKHCSA-N 1 3 349.544 2.901 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC1 ZINC001027440456 715808477 /nfs/dbraw/zinc/80/84/77/715808477.db2.gz GRWFFMIETINBKJ-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001027440456 715808479 /nfs/dbraw/zinc/80/84/79/715808479.db2.gz GRWFFMIETINBKJ-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001027440610 715809036 /nfs/dbraw/zinc/80/90/36/715809036.db2.gz JJHMXUOTJCMYKW-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001027440610 715809039 /nfs/dbraw/zinc/80/90/39/715809039.db2.gz JJHMXUOTJCMYKW-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCc3cccs3)C2)CCC1 ZINC001027441125 715810279 /nfs/dbraw/zinc/81/02/79/715810279.db2.gz RUSGSZSTKSAJJQ-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3cccs3)C2)CCC1 ZINC001027441125 715810285 /nfs/dbraw/zinc/81/02/85/715810285.db2.gz RUSGSZSTKSAJJQ-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441605 715811839 /nfs/dbraw/zinc/81/18/39/715811839.db2.gz HBMAGWKOKDVHIF-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441605 715811842 /nfs/dbraw/zinc/81/18/42/715811842.db2.gz HBMAGWKOKDVHIF-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443182 715816507 /nfs/dbraw/zinc/81/65/07/715816507.db2.gz JMVSXRTXSTWLNS-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443182 715816512 /nfs/dbraw/zinc/81/65/12/715816512.db2.gz JMVSXRTXSTWLNS-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001027443198 715816630 /nfs/dbraw/zinc/81/66/30/715816630.db2.gz JRVLSTBDFCQTCU-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001027443198 715816634 /nfs/dbraw/zinc/81/66/34/715816634.db2.gz JRVLSTBDFCQTCU-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443535 715817996 /nfs/dbraw/zinc/81/79/96/715817996.db2.gz MRPOBSZPYJWABV-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443535 715818001 /nfs/dbraw/zinc/81/80/01/715818001.db2.gz MRPOBSZPYJWABV-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027444522 715820560 /nfs/dbraw/zinc/82/05/60/715820560.db2.gz SGZXEALQJBUEEI-IRXDYDNUSA-N 1 3 335.517 2.511 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001027442593 715824130 /nfs/dbraw/zinc/82/41/30/715824130.db2.gz YRLZXHAMBWCNCF-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001027442593 715824134 /nfs/dbraw/zinc/82/41/34/715824134.db2.gz YRLZXHAMBWCNCF-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1)[NH+](C)C ZINC001027451708 715846405 /nfs/dbraw/zinc/84/64/05/715846405.db2.gz GWTIGTRIYHLEHW-MOPGFXCFSA-N 1 3 349.494 2.835 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027461939 715892786 /nfs/dbraw/zinc/89/27/86/715892786.db2.gz SIOSWMWQOVUKIU-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027461939 715892792 /nfs/dbraw/zinc/89/27/92/715892792.db2.gz SIOSWMWQOVUKIU-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217639 715921709 /nfs/dbraw/zinc/92/17/09/715921709.db2.gz NNQKDDMFVMOOEH-MSOLQXFVSA-N 1 3 329.488 2.590 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001027218122 715922141 /nfs/dbraw/zinc/92/21/41/715922141.db2.gz YBSCILKFFDEVBV-SFHVURJKSA-N 1 3 341.499 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027235609 715949310 /nfs/dbraw/zinc/94/93/10/715949310.db2.gz SWKKWVDNPNXUDM-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001027235778 715949583 /nfs/dbraw/zinc/94/95/83/715949583.db2.gz VHIGGSQBPBDZNG-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001027235986 715950133 /nfs/dbraw/zinc/95/01/33/715950133.db2.gz ZNKQGGDKKXSMTL-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001027235208 715957915 /nfs/dbraw/zinc/95/79/15/715957915.db2.gz MDIHWEZJRYOSSE-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)C1CC1 ZINC000985467204 724437376 /nfs/dbraw/zinc/43/73/76/724437376.db2.gz IYLBBVIBTJCIFN-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)C1CC1 ZINC000985467204 724437378 /nfs/dbraw/zinc/43/73/78/724437378.db2.gz IYLBBVIBTJCIFN-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000985468388 724441408 /nfs/dbraw/zinc/44/14/08/724441408.db2.gz SNUAKIPALFVFCX-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000985468388 724441410 /nfs/dbraw/zinc/44/14/10/724441410.db2.gz SNUAKIPALFVFCX-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985468617 724441690 /nfs/dbraw/zinc/44/16/90/724441690.db2.gz YFBHFCYTRQBOIY-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000985468617 724441691 /nfs/dbraw/zinc/44/16/91/724441691.db2.gz YFBHFCYTRQBOIY-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO C[NH+]1CCC(CN[C@@H](CCO)c2ccccc2Br)CC1 ZINC000893489052 716011296 /nfs/dbraw/zinc/01/12/96/716011296.db2.gz GGGCKXIGUYKFGP-INIZCTEOSA-N 1 3 341.293 2.804 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001022980480 716049949 /nfs/dbraw/zinc/04/99/49/716049949.db2.gz XAZNMRQNFULJNP-SOUVJXGZSA-N 1 3 347.890 2.734 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001023025119 716091821 /nfs/dbraw/zinc/09/18/21/716091821.db2.gz WERIUYHPFLYWLW-HDICACEKSA-N 1 3 340.471 2.821 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001023024870 716093748 /nfs/dbraw/zinc/09/37/48/716093748.db2.gz JTSQETSQCPFGDY-KDURUIRLSA-N 1 3 348.450 2.851 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001023024630 716093874 /nfs/dbraw/zinc/09/38/74/716093874.db2.gz CKRYXVZPBQTMSB-CALCHBBNSA-N 1 3 340.471 2.623 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001023122830 716161904 /nfs/dbraw/zinc/16/19/04/716161904.db2.gz GNZDWEYSDRKNFH-RWQQGDIJSA-N 1 3 329.488 2.605 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001023124221 716163110 /nfs/dbraw/zinc/16/31/10/716163110.db2.gz CLPUBJPLZQIFKE-MDBPOYHNSA-N 1 3 349.906 2.950 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001023124221 716163112 /nfs/dbraw/zinc/16/31/12/716163112.db2.gz CLPUBJPLZQIFKE-MDBPOYHNSA-N 1 3 349.906 2.950 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001023125847 716163793 /nfs/dbraw/zinc/16/37/93/716163793.db2.gz ZLBOEXBCVDNYEK-LFGUQSLTSA-N 1 3 343.515 2.647 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001023126242 716164054 /nfs/dbraw/zinc/16/40/54/716164054.db2.gz OVHWHDHDBMSLHD-CAKACJFASA-N 1 3 329.488 2.645 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001023128552 716164866 /nfs/dbraw/zinc/16/48/66/716164866.db2.gz JMJXCVYYFNDZOO-OAOYMFHYSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001023128715 716165232 /nfs/dbraw/zinc/16/52/32/716165232.db2.gz PXTPLULWVMYAKJ-FGTMMUONSA-N 1 3 349.544 2.976 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001023128928 716165667 /nfs/dbraw/zinc/16/56/67/716165667.db2.gz ZBTQUTZETHKMSK-GDAAHCPNSA-N 1 3 329.488 2.859 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001023130326 716165757 /nfs/dbraw/zinc/16/57/57/716165757.db2.gz JMXVALOWSYCAMX-HSALFYBXSA-N 1 3 343.515 2.860 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001023130204 716165875 /nfs/dbraw/zinc/16/58/75/716165875.db2.gz DZPFLPKUWPZDKP-KDURUIRLSA-N 1 3 337.467 2.799 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442778 716218659 /nfs/dbraw/zinc/21/86/59/716218659.db2.gz YGQYXGVNAONMLT-IBGZPJMESA-N 1 3 347.547 2.901 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597841 716377489 /nfs/dbraw/zinc/37/74/89/716377489.db2.gz IKYNGVWRVBKBNI-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597841 716377495 /nfs/dbraw/zinc/37/74/95/716377495.db2.gz IKYNGVWRVBKBNI-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597830 716377593 /nfs/dbraw/zinc/37/75/93/716377593.db2.gz IKYNGVWRVBKBNI-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597830 716377596 /nfs/dbraw/zinc/37/75/96/716377596.db2.gz IKYNGVWRVBKBNI-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CCC3)CC2(C)C)c1 ZINC000977641265 716432721 /nfs/dbraw/zinc/43/27/21/716432721.db2.gz NBSDQNXURDMASV-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)CC2(C)C)c1 ZINC000977641265 716432724 /nfs/dbraw/zinc/43/27/24/716432724.db2.gz NBSDQNXURDMASV-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000978794818 716450828 /nfs/dbraw/zinc/45/08/28/716450828.db2.gz FQQMOGJXPJSVSQ-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000978794818 716450831 /nfs/dbraw/zinc/45/08/31/716450831.db2.gz FQQMOGJXPJSVSQ-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638269 716453038 /nfs/dbraw/zinc/45/30/38/716453038.db2.gz ICWZCMRMFDYGAT-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638269 716453040 /nfs/dbraw/zinc/45/30/40/716453040.db2.gz ICWZCMRMFDYGAT-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681045 716489202 /nfs/dbraw/zinc/48/92/02/716489202.db2.gz OKHKYELEUNVLAE-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681045 716489203 /nfs/dbraw/zinc/48/92/03/716489203.db2.gz OKHKYELEUNVLAE-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001027681354 716509322 /nfs/dbraw/zinc/50/93/22/716509322.db2.gz VBNBVLLOEOVYSL-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001027681354 716509328 /nfs/dbraw/zinc/50/93/28/716509328.db2.gz VBNBVLLOEOVYSL-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001027681353 716509561 /nfs/dbraw/zinc/50/95/61/716509561.db2.gz VBNBVLLOEOVYSL-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001027681353 716509565 /nfs/dbraw/zinc/50/95/65/716509565.db2.gz VBNBVLLOEOVYSL-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001027555784 716521120 /nfs/dbraw/zinc/52/11/20/716521120.db2.gz SYSPABTZKJWIQA-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027692100 716526166 /nfs/dbraw/zinc/52/61/66/716526166.db2.gz BAMGIXVPUARZOS-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027692100 716526170 /nfs/dbraw/zinc/52/61/70/716526170.db2.gz BAMGIXVPUARZOS-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692469 716540729 /nfs/dbraw/zinc/54/07/29/716540729.db2.gz KEESGUWQAWKXSV-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692469 716540732 /nfs/dbraw/zinc/54/07/32/716540732.db2.gz KEESGUWQAWKXSV-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575688 716704625 /nfs/dbraw/zinc/70/46/25/716704625.db2.gz CFPWTFDFWSDWAZ-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575688 716704626 /nfs/dbraw/zinc/70/46/26/716704626.db2.gz CFPWTFDFWSDWAZ-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575890 716707685 /nfs/dbraw/zinc/70/76/85/716707685.db2.gz GGNKPIPMOVFEKP-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575890 716707690 /nfs/dbraw/zinc/70/76/90/716707690.db2.gz GGNKPIPMOVFEKP-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027575999 716708189 /nfs/dbraw/zinc/70/81/89/716708189.db2.gz IBMSUEPVGJZORA-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027575999 716708194 /nfs/dbraw/zinc/70/81/94/716708194.db2.gz IBMSUEPVGJZORA-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023632581 716745161 /nfs/dbraw/zinc/74/51/61/716745161.db2.gz NDGDPBRPXKQPJD-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023632581 716745165 /nfs/dbraw/zinc/74/51/65/716745165.db2.gz NDGDPBRPXKQPJD-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646147 716766936 /nfs/dbraw/zinc/76/69/36/716766936.db2.gz IUYXSQKVVZNUEY-IEBWSBKVSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000978140225 716838234 /nfs/dbraw/zinc/83/82/34/716838234.db2.gz DEGBNBPVRNYDPQ-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000978140225 716838237 /nfs/dbraw/zinc/83/82/37/716838237.db2.gz DEGBNBPVRNYDPQ-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978142272 716839099 /nfs/dbraw/zinc/83/90/99/716839099.db2.gz HRTFDLIYLSEUOM-ZJPYXAASSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978142272 716839103 /nfs/dbraw/zinc/83/91/03/716839103.db2.gz HRTFDLIYLSEUOM-ZJPYXAASSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594907 716879512 /nfs/dbraw/zinc/87/95/12/716879512.db2.gz QCYLIERGLIMOQM-YJBOKZPZSA-N 1 3 326.444 2.636 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594907 716879516 /nfs/dbraw/zinc/87/95/16/716879516.db2.gz QCYLIERGLIMOQM-YJBOKZPZSA-N 1 3 326.444 2.636 20 0 EFADHO C[N@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594802 716879760 /nfs/dbraw/zinc/87/97/60/716879760.db2.gz OPBDNMBLUZNMNI-SFHVURJKSA-N 1 3 330.476 2.766 20 0 EFADHO C[N@@H+](CCC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594802 716879767 /nfs/dbraw/zinc/87/97/67/716879767.db2.gz OPBDNMBLUZNMNI-SFHVURJKSA-N 1 3 330.476 2.766 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000978228533 716902461 /nfs/dbraw/zinc/90/24/61/716902461.db2.gz GZBTUGIKXNTVNX-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000978228533 716902465 /nfs/dbraw/zinc/90/24/65/716902465.db2.gz GZBTUGIKXNTVNX-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761508 716974109 /nfs/dbraw/zinc/97/41/09/716974109.db2.gz BNBNHKAZVIUTOW-FUHWJXTLSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761508 716974112 /nfs/dbraw/zinc/97/41/12/716974112.db2.gz BNBNHKAZVIUTOW-FUHWJXTLSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001023763378 716976216 /nfs/dbraw/zinc/97/62/16/716976216.db2.gz LPAVTZNTTZFCKV-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023763378 716976221 /nfs/dbraw/zinc/97/62/21/716976221.db2.gz LPAVTZNTTZFCKV-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001023890248 717109895 /nfs/dbraw/zinc/10/98/95/717109895.db2.gz WNIHHSAFJKLVMT-QAPCUYQASA-N 1 3 349.906 2.762 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972730774 717159055 /nfs/dbraw/zinc/15/90/55/717159055.db2.gz AKMGWZGLHSEZIT-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972730774 717159058 /nfs/dbraw/zinc/15/90/58/717159058.db2.gz AKMGWZGLHSEZIT-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972730773 717159175 /nfs/dbraw/zinc/15/91/75/717159175.db2.gz AKMGWZGLHSEZIT-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972730773 717159177 /nfs/dbraw/zinc/15/91/77/717159177.db2.gz AKMGWZGLHSEZIT-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972732652 717159967 /nfs/dbraw/zinc/15/99/67/717159967.db2.gz LHDPLCMWVARMCO-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972732652 717159968 /nfs/dbraw/zinc/15/99/68/717159968.db2.gz LHDPLCMWVARMCO-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734359 717161494 /nfs/dbraw/zinc/16/14/94/717161494.db2.gz XPMXWTYVXVRWHP-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734359 717161496 /nfs/dbraw/zinc/16/14/96/717161496.db2.gz XPMXWTYVXVRWHP-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397278 717207421 /nfs/dbraw/zinc/20/74/21/717207421.db2.gz OQEFWGNUSXBMDM-SJLPKXTDSA-N 1 3 349.906 2.633 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397278 717207425 /nfs/dbraw/zinc/20/74/25/717207425.db2.gz OQEFWGNUSXBMDM-SJLPKXTDSA-N 1 3 349.906 2.633 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001024016539 717212001 /nfs/dbraw/zinc/21/20/01/717212001.db2.gz IBRSLQBDBXEVQF-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404905 717217834 /nfs/dbraw/zinc/21/78/34/717217834.db2.gz FACYFIGTMYLWIQ-QAPCUYQASA-N 1 3 333.451 2.515 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404905 717217838 /nfs/dbraw/zinc/21/78/38/717217838.db2.gz FACYFIGTMYLWIQ-QAPCUYQASA-N 1 3 333.451 2.515 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405805 717218858 /nfs/dbraw/zinc/21/88/58/717218858.db2.gz KJJOMTOBSLGCPX-RTBURBONSA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405805 717218863 /nfs/dbraw/zinc/21/88/63/717218863.db2.gz KJJOMTOBSLGCPX-RTBURBONSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001024018072 717219254 /nfs/dbraw/zinc/21/92/54/717219254.db2.gz KCZCVRHDZBOKCH-AZUAARDMSA-N 1 3 343.515 2.663 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001024018167 717219455 /nfs/dbraw/zinc/21/94/55/717219455.db2.gz KXCCGBCIGHXTMK-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001024018668 717220015 /nfs/dbraw/zinc/22/00/15/717220015.db2.gz QYEQTDBSPNMHDL-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406656 717220373 /nfs/dbraw/zinc/22/03/73/717220373.db2.gz RCBLEANKWPYQOS-MOPGFXCFSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406656 717220377 /nfs/dbraw/zinc/22/03/77/717220377.db2.gz RCBLEANKWPYQOS-MOPGFXCFSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001024018897 717220976 /nfs/dbraw/zinc/22/09/76/717220976.db2.gz UABDKOMQMZVTJD-QAPCUYQASA-N 1 3 349.544 2.725 20 0 EFADHO C[N@H+](Cc1cc2ccccc2o1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408148 717222841 /nfs/dbraw/zinc/22/28/41/717222841.db2.gz IBRUXQKVBGPZBF-KRWDZBQOSA-N 1 3 341.455 2.561 20 0 EFADHO C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408148 717222843 /nfs/dbraw/zinc/22/28/43/717222843.db2.gz IBRUXQKVBGPZBF-KRWDZBQOSA-N 1 3 341.455 2.561 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408423 717223024 /nfs/dbraw/zinc/22/30/24/717223024.db2.gz JNMPIMHAYPAUAN-CRAIPNDOSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408423 717223027 /nfs/dbraw/zinc/22/30/27/717223027.db2.gz JNMPIMHAYPAUAN-CRAIPNDOSA-N 1 3 333.451 2.515 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001024019459 717228602 /nfs/dbraw/zinc/22/86/02/717228602.db2.gz ZLVCNPVURFHFOF-YLJYHZDGSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001024029024 717232001 /nfs/dbraw/zinc/23/20/01/717232001.db2.gz RCOMETQCQXXXPU-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001024026616 717236981 /nfs/dbraw/zinc/23/69/81/717236981.db2.gz FLFQLGQLQWQFEH-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001024038287 717248536 /nfs/dbraw/zinc/24/85/36/717248536.db2.gz GZHLRNLNIZKRLT-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001024038220 717248621 /nfs/dbraw/zinc/24/86/21/717248621.db2.gz FJVSNGLGSYJQCP-RBUKOAKNSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001024039193 717249565 /nfs/dbraw/zinc/24/95/65/717249565.db2.gz QQKFURJVYAIIOI-RTBURBONSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001024039097 717249574 /nfs/dbraw/zinc/24/95/74/717249574.db2.gz OLNMQNMRHMTINP-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001024039620 717250255 /nfs/dbraw/zinc/25/02/55/717250255.db2.gz ZUSXZXMGIBCASR-WOJBJXKFSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC000980479798 717304032 /nfs/dbraw/zinc/30/40/32/717304032.db2.gz XRFXBEIZBUKHKJ-GOSISDBHSA-N 1 3 349.544 2.965 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000980476762 717318241 /nfs/dbraw/zinc/31/82/41/717318241.db2.gz XBDVEYLLEXLDLG-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000980476762 717318245 /nfs/dbraw/zinc/31/82/45/717318245.db2.gz XBDVEYLLEXLDLG-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980478332 717321413 /nfs/dbraw/zinc/32/14/13/717321413.db2.gz OJQUNTPTCBBRRI-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC000980485357 717326909 /nfs/dbraw/zinc/32/69/09/717326909.db2.gz HRFPTZOSZYIWSE-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC000980485357 717326912 /nfs/dbraw/zinc/32/69/12/717326912.db2.gz HRFPTZOSZYIWSE-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC000980485356 717327204 /nfs/dbraw/zinc/32/72/04/717327204.db2.gz HRFPTZOSZYIWSE-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC000980485356 717327210 /nfs/dbraw/zinc/32/72/10/717327210.db2.gz HRFPTZOSZYIWSE-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000980485410 717328016 /nfs/dbraw/zinc/32/80/16/717328016.db2.gz JMODCDSSNKHETJ-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000980485410 717328021 /nfs/dbraw/zinc/32/80/21/717328021.db2.gz JMODCDSSNKHETJ-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000980486082 717329100 /nfs/dbraw/zinc/32/91/00/717329100.db2.gz QGDUDHBKMKLCHS-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000980486082 717329104 /nfs/dbraw/zinc/32/91/04/717329104.db2.gz QGDUDHBKMKLCHS-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000980482675 717339939 /nfs/dbraw/zinc/33/99/39/717339939.db2.gz BFQPULALHRVJCG-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000980482675 717339943 /nfs/dbraw/zinc/33/99/43/717339943.db2.gz BFQPULALHRVJCG-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001024139919 717388467 /nfs/dbraw/zinc/38/84/67/717388467.db2.gz RCOMETQCQXXXPU-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024139813 717401570 /nfs/dbraw/zinc/40/15/70/717401570.db2.gz OKYRQMIEHRQKHY-DOTOQJQBSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024139814 717401581 /nfs/dbraw/zinc/40/15/81/717401581.db2.gz OKYRQMIEHRQKHY-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001024156284 717450453 /nfs/dbraw/zinc/45/04/53/717450453.db2.gz KVTLURJWOJIZGL-QZTJIDSGSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001024156060 717450545 /nfs/dbraw/zinc/45/05/45/717450545.db2.gz HSQJMZFFODQFTO-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001024156086 717450551 /nfs/dbraw/zinc/45/05/51/717450551.db2.gz HYCBUZFMEWAHBU-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001024156084 717450618 /nfs/dbraw/zinc/45/06/18/717450618.db2.gz HYCBUZFMEWAHBU-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156107 717450669 /nfs/dbraw/zinc/45/06/69/717450669.db2.gz IIAVKIOWRSYCKT-MJGOQNOKSA-N 1 3 333.520 2.657 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001024156025 717450681 /nfs/dbraw/zinc/45/06/81/717450681.db2.gz HCLSBYOZKPENQS-RBUKOAKNSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001024156794 717451471 /nfs/dbraw/zinc/45/14/71/717451471.db2.gz UIYKXIGISKLKHY-IRXDYDNUSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001024156753 717451573 /nfs/dbraw/zinc/45/15/73/717451573.db2.gz SSOSWFDXWRIOLS-ZWKOTPCHSA-N 1 3 347.547 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001024161846 717454886 /nfs/dbraw/zinc/45/48/86/717454886.db2.gz OLNMQNMRHMTINP-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001024160138 717455455 /nfs/dbraw/zinc/45/54/55/717455455.db2.gz QQKFURJVYAIIOI-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001024161093 717456853 /nfs/dbraw/zinc/45/68/53/717456853.db2.gz FUMJCCSQYMVKBV-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001024161180 717457078 /nfs/dbraw/zinc/45/70/78/717457078.db2.gz HSBVMZYVJVURQQ-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001024162181 717457328 /nfs/dbraw/zinc/45/73/28/717457328.db2.gz SGBQRHZNFMWJNQ-MOPGFXCFSA-N 1 3 349.494 2.825 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001024178820 717477010 /nfs/dbraw/zinc/47/70/10/717477010.db2.gz FLSWZGJVVOQTJN-HUUCEWRRSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2F)CN1C(=O)CN(C)C1CCC1 ZINC000980605706 717477293 /nfs/dbraw/zinc/47/72/93/717477293.db2.gz VOQZTKVWUFWZKU-HZPDHXFCSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001024178821 717477320 /nfs/dbraw/zinc/47/73/20/717477320.db2.gz FLSWZGJVVOQTJN-LSDHHAIUSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980605719 717477773 /nfs/dbraw/zinc/47/77/73/717477773.db2.gz VUYJKHVGGPCEPN-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000980606911 717487623 /nfs/dbraw/zinc/48/76/23/717487623.db2.gz ITUFGNVLXRMFIR-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[NH2+]CC3CC3)C2)c1 ZINC001024277788 717562004 /nfs/dbraw/zinc/56/20/04/717562004.db2.gz VMRYTOZTTFTLKJ-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH2+]CC3CC3)C2)c1 ZINC001024277789 717562191 /nfs/dbraw/zinc/56/21/91/717562191.db2.gz VMRYTOZTTFTLKJ-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024278699 717563410 /nfs/dbraw/zinc/56/34/10/717563410.db2.gz RFXCJYQOXGFZQJ-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001024278436 717563868 /nfs/dbraw/zinc/56/38/68/717563868.db2.gz OKFWCKNBWAMCRU-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740152 717659240 /nfs/dbraw/zinc/65/92/40/717659240.db2.gz VGJSYNRRQSTNAC-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985480246 724461939 /nfs/dbraw/zinc/46/19/39/724461939.db2.gz DLNHJJUYYQJFHL-IBGZPJMESA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985480246 724461943 /nfs/dbraw/zinc/46/19/43/724461943.db2.gz DLNHJJUYYQJFHL-IBGZPJMESA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027878590 717750306 /nfs/dbraw/zinc/75/03/06/717750306.db2.gz DTYSJISPQNNPKE-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027878590 717750310 /nfs/dbraw/zinc/75/03/10/717750310.db2.gz DTYSJISPQNNPKE-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027878535 717750393 /nfs/dbraw/zinc/75/03/93/717750393.db2.gz DJFSULSQTMWQAD-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027878535 717750397 /nfs/dbraw/zinc/75/03/97/717750397.db2.gz DJFSULSQTMWQAD-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800857 717764515 /nfs/dbraw/zinc/76/45/15/717764515.db2.gz RREIAWGUBHMBEN-MSOLQXFVSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801687 717766266 /nfs/dbraw/zinc/76/62/66/717766266.db2.gz VLOBDUFZLOYVCO-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000980802042 717767247 /nfs/dbraw/zinc/76/72/47/717767247.db2.gz XOIQMCMKXAWXPI-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980802573 717768890 /nfs/dbraw/zinc/76/88/90/717768890.db2.gz ZUVFKCDWZSBIKN-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980799437 717773640 /nfs/dbraw/zinc/77/36/40/717773640.db2.gz HTSAPYIJMNXLOW-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCCCC2)CN1C(=O)CN1CCCC1 ZINC000980799616 717773755 /nfs/dbraw/zinc/77/37/55/717773755.db2.gz JGXASIBAAHNVIL-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980799593 717773800 /nfs/dbraw/zinc/77/38/00/717773800.db2.gz IZZREUDRDMUKLS-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000980799791 717774400 /nfs/dbraw/zinc/77/44/00/717774400.db2.gz LOHYTCSKVOAUEX-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001029755186 724474796 /nfs/dbraw/zinc/47/47/96/724474796.db2.gz JDOAVYGWUIZNMI-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001029755186 724474797 /nfs/dbraw/zinc/47/47/97/724474797.db2.gz JDOAVYGWUIZNMI-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(CN2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001027992896 717818642 /nfs/dbraw/zinc/81/86/42/717818642.db2.gz HEBYAZFYGYMRDL-LJQANCHMSA-N 1 3 341.499 2.704 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001029903982 724474044 /nfs/dbraw/zinc/47/40/44/724474044.db2.gz JPEQPQQODQBSBS-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001029903982 724474046 /nfs/dbraw/zinc/47/40/46/724474046.db2.gz JPEQPQQODQBSBS-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904054 724474212 /nfs/dbraw/zinc/47/42/12/724474212.db2.gz LEAYIQQTHKHKQF-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904054 724474216 /nfs/dbraw/zinc/47/42/16/724474216.db2.gz LEAYIQQTHKHKQF-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173712 717857613 /nfs/dbraw/zinc/85/76/13/717857613.db2.gz SGDGSROXOIFAOO-KSZLIROESA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173712 717857619 /nfs/dbraw/zinc/85/76/19/717857619.db2.gz SGDGSROXOIFAOO-KSZLIROESA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001029754962 724474427 /nfs/dbraw/zinc/47/44/27/724474427.db2.gz GFIZZBHRTZZDRB-YJBOKZPZSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001029754962 724474428 /nfs/dbraw/zinc/47/44/28/724474428.db2.gz GFIZZBHRTZZDRB-YJBOKZPZSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001029754921 724474453 /nfs/dbraw/zinc/47/44/53/724474453.db2.gz FQMRSLPKVVMYSO-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001029754921 724474455 /nfs/dbraw/zinc/47/44/55/724474455.db2.gz FQMRSLPKVVMYSO-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024522420 717869469 /nfs/dbraw/zinc/86/94/69/717869469.db2.gz FVZPNXDMPMPISZ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024522420 717869477 /nfs/dbraw/zinc/86/94/77/717869477.db2.gz FVZPNXDMPMPISZ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001029755628 724475251 /nfs/dbraw/zinc/47/52/51/724475251.db2.gz NFSSSDOJVNEMNA-ICSRJNTNSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001029755628 724475254 /nfs/dbraw/zinc/47/52/54/724475254.db2.gz NFSSSDOJVNEMNA-ICSRJNTNSA-N 1 3 343.515 2.616 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCC2(CC2)CC1 ZINC001029903914 724475616 /nfs/dbraw/zinc/47/56/16/724475616.db2.gz HYGBMSOWADNPQU-LJQANCHMSA-N 1 3 347.547 2.833 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCC2(CC2)CC1 ZINC001029903914 724475619 /nfs/dbraw/zinc/47/56/19/724475619.db2.gz HYGBMSOWADNPQU-LJQANCHMSA-N 1 3 347.547 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904541 724476042 /nfs/dbraw/zinc/47/60/42/724476042.db2.gz YBBAXPQKWMOSIY-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904541 724476044 /nfs/dbraw/zinc/47/60/44/724476044.db2.gz YBBAXPQKWMOSIY-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001029756420 724476603 /nfs/dbraw/zinc/47/66/03/724476603.db2.gz WFTKIYMZXNAHQY-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001029756420 724476607 /nfs/dbraw/zinc/47/66/07/724476607.db2.gz WFTKIYMZXNAHQY-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904267 724477476 /nfs/dbraw/zinc/47/74/76/724477476.db2.gz RLTXCOZZNUFZDL-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904267 724477480 /nfs/dbraw/zinc/47/74/80/724477480.db2.gz RLTXCOZZNUFZDL-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904268 724477703 /nfs/dbraw/zinc/47/77/03/724477703.db2.gz RLTXCOZZNUFZDL-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904268 724477706 /nfs/dbraw/zinc/47/77/06/724477706.db2.gz RLTXCOZZNUFZDL-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905317 724478488 /nfs/dbraw/zinc/47/84/88/724478488.db2.gz LGTRKEVKPAUJIY-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905317 724478490 /nfs/dbraw/zinc/47/84/90/724478490.db2.gz LGTRKEVKPAUJIY-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027917863 718092122 /nfs/dbraw/zinc/09/21/22/718092122.db2.gz GTQMFQOSNQVFDP-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027917863 718092124 /nfs/dbraw/zinc/09/21/24/718092124.db2.gz GTQMFQOSNQVFDP-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029767545 724485892 /nfs/dbraw/zinc/48/58/92/724485892.db2.gz UHLRAVPFRPSAFW-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029767545 724485893 /nfs/dbraw/zinc/48/58/93/724485893.db2.gz UHLRAVPFRPSAFW-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024752297 718138243 /nfs/dbraw/zinc/13/82/43/718138243.db2.gz QVAFNXKWLVPIFI-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024752297 718138244 /nfs/dbraw/zinc/13/82/44/718138244.db2.gz QVAFNXKWLVPIFI-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1ccccc1CN1CCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760096 718141425 /nfs/dbraw/zinc/14/14/25/718141425.db2.gz QTTVGLFKBQVHKT-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000957279289 718146618 /nfs/dbraw/zinc/14/66/18/718146618.db2.gz LASCSZDUHQZAQW-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029766971 724484701 /nfs/dbraw/zinc/48/47/01/724484701.db2.gz ITBPRUAAWOHPPV-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029766971 724484703 /nfs/dbraw/zinc/48/47/03/724484703.db2.gz ITBPRUAAWOHPPV-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029766886 724484986 /nfs/dbraw/zinc/48/49/86/724484986.db2.gz IHBLNCCUDVJOMN-IEBWSBKVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029766886 724484988 /nfs/dbraw/zinc/48/49/88/724484988.db2.gz IHBLNCCUDVJOMN-IEBWSBKVSA-N 1 3 349.494 2.755 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(CCCF)CC1 ZINC000981169072 718163033 /nfs/dbraw/zinc/16/30/33/718163033.db2.gz NBHUMUXCFFYBBX-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(CCCF)CC1 ZINC000981169072 718163036 /nfs/dbraw/zinc/16/30/36/718163036.db2.gz NBHUMUXCFFYBBX-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800729 718168073 /nfs/dbraw/zinc/16/80/73/718168073.db2.gz HPSZKPNUOASMMS-ROUUACIJSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800729 718168075 /nfs/dbraw/zinc/16/80/75/718168075.db2.gz HPSZKPNUOASMMS-ROUUACIJSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001024801950 718168914 /nfs/dbraw/zinc/16/89/14/718168914.db2.gz QLCUPZYIRANDSJ-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001024801950 718168915 /nfs/dbraw/zinc/16/89/15/718168915.db2.gz QLCUPZYIRANDSJ-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001024803147 718169671 /nfs/dbraw/zinc/16/96/71/718169671.db2.gz GCBFVPXRZRKEGH-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001024803147 718169673 /nfs/dbraw/zinc/16/96/73/718169673.db2.gz GCBFVPXRZRKEGH-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC2)c1 ZINC001024811435 718175097 /nfs/dbraw/zinc/17/50/97/718175097.db2.gz SZEQREKTFPMESQ-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)c1 ZINC001024811435 718175099 /nfs/dbraw/zinc/17/50/99/718175099.db2.gz SZEQREKTFPMESQ-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029908928 724491018 /nfs/dbraw/zinc/49/10/18/724491018.db2.gz FCWHEQONOUBQIV-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029908928 724491021 /nfs/dbraw/zinc/49/10/21/724491021.db2.gz FCWHEQONOUBQIV-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001024902386 718213756 /nfs/dbraw/zinc/21/37/56/718213756.db2.gz PUIUHPGWZWSOTC-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000985494305 724489018 /nfs/dbraw/zinc/48/90/18/724489018.db2.gz DAEKCXLBWXHLQO-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000985494305 724489020 /nfs/dbraw/zinc/48/90/20/724489020.db2.gz DAEKCXLBWXHLQO-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001024902755 718213971 /nfs/dbraw/zinc/21/39/71/718213971.db2.gz ZVJPTMCTKIOQMH-QZTJIDSGSA-N 1 3 349.544 2.930 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccsc2)CCC1 ZINC001024982399 718247452 /nfs/dbraw/zinc/24/74/52/718247452.db2.gz OMWIIUQMCUFDAD-INIZCTEOSA-N 1 3 335.517 2.703 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001024983302 718248543 /nfs/dbraw/zinc/24/85/43/718248543.db2.gz PFZVDOFAILZGQK-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCCC[C@H]1CNCc1ccccc1F)C1CC1 ZINC001024983820 718248603 /nfs/dbraw/zinc/24/86/03/718248603.db2.gz BUSAICVIGMNMLG-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)cs1 ZINC001024984574 718249185 /nfs/dbraw/zinc/24/91/85/718249185.db2.gz HFCYKLYVQFICQV-ROUUACIJSA-N 1 3 349.544 2.867 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001024986633 718250082 /nfs/dbraw/zinc/25/00/82/718250082.db2.gz YQVSNGIWXRIODO-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001024992213 718251087 /nfs/dbraw/zinc/25/10/87/718251087.db2.gz PEDPDZDXOSMWRI-MOPGFXCFSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1CNCc1ccccc1F)[NH+](C)C ZINC001024992219 718251105 /nfs/dbraw/zinc/25/11/05/718251105.db2.gz POGCBSIKVIHTBU-MJGOQNOKSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001024992730 718253101 /nfs/dbraw/zinc/25/31/01/718253101.db2.gz VTYBNSDFRZADML-OALUTQOASA-N 1 3 331.504 2.744 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CCC3)C2)c1 ZINC001029909309 724493575 /nfs/dbraw/zinc/49/35/75/724493575.db2.gz KXQDMNHKQZEEPT-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCC3)C2)c1 ZINC001029909309 724493579 /nfs/dbraw/zinc/49/35/79/724493579.db2.gz KXQDMNHKQZEEPT-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029910713 724497838 /nfs/dbraw/zinc/49/78/38/724497838.db2.gz XBWZRPFLJTVBPW-SJLPKXTDSA-N 1 3 349.544 2.903 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029910713 724497839 /nfs/dbraw/zinc/49/78/39/724497839.db2.gz XBWZRPFLJTVBPW-SJLPKXTDSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001025084581 718350280 /nfs/dbraw/zinc/35/02/80/718350280.db2.gz DZNQZDGRHDDSCM-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)cs1 ZINC001025084788 718350307 /nfs/dbraw/zinc/35/03/07/718350307.db2.gz HMKGXYPKANGMOE-CRAIPNDOSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC001025085923 718350598 /nfs/dbraw/zinc/35/05/98/718350598.db2.gz XMRSMGCQXBPKGI-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001025085297 718351081 /nfs/dbraw/zinc/35/10/81/718351081.db2.gz OBWZIJIHTPYMBV-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001025085113 718351206 /nfs/dbraw/zinc/35/12/06/718351206.db2.gz LWHMXJAEXYXGBP-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001025086723 718352543 /nfs/dbraw/zinc/35/25/43/718352543.db2.gz BQXVUOJOQAPEHT-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001025098314 718357796 /nfs/dbraw/zinc/35/77/96/718357796.db2.gz NSVROGHJZMCRGX-MAUKXSAKSA-N 1 3 326.444 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007454948 718403373 /nfs/dbraw/zinc/40/33/73/718403373.db2.gz AZRZDPRQUCERCU-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007454948 718403374 /nfs/dbraw/zinc/40/33/74/718403374.db2.gz AZRZDPRQUCERCU-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289936 718530559 /nfs/dbraw/zinc/53/05/59/718530559.db2.gz VODZRGHYKCFGOK-IRXDYDNUSA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289936 718530563 /nfs/dbraw/zinc/53/05/63/718530563.db2.gz VODZRGHYKCFGOK-IRXDYDNUSA-N 1 3 344.503 2.943 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981283192 718596915 /nfs/dbraw/zinc/59/69/15/718596915.db2.gz OUKHZYNAXJFWEB-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981283192 718596917 /nfs/dbraw/zinc/59/69/17/718596917.db2.gz OUKHZYNAXJFWEB-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981283564 718597624 /nfs/dbraw/zinc/59/76/24/718597624.db2.gz XQUQFIFJTNLQCY-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981283564 718597625 /nfs/dbraw/zinc/59/76/25/718597625.db2.gz XQUQFIFJTNLQCY-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981332399 718633780 /nfs/dbraw/zinc/63/37/80/718633780.db2.gz WSAUCVNZAZGEPV-SJORKVTESA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981332399 718633783 /nfs/dbraw/zinc/63/37/83/718633783.db2.gz WSAUCVNZAZGEPV-SJORKVTESA-N 1 3 327.488 2.532 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332746 718634522 /nfs/dbraw/zinc/63/45/22/718634522.db2.gz FCBXNGFIGBZKPF-HXUWFJFHSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332746 718634525 /nfs/dbraw/zinc/63/45/25/718634525.db2.gz FCBXNGFIGBZKPF-HXUWFJFHSA-N 1 3 343.515 2.678 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[N@@H+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332738 718634577 /nfs/dbraw/zinc/63/45/77/718634577.db2.gz FADSGDLKRVZWIV-UXHICEINSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332738 718634579 /nfs/dbraw/zinc/63/45/79/718634579.db2.gz FADSGDLKRVZWIV-UXHICEINSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[N@@H+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332742 718634596 /nfs/dbraw/zinc/63/45/96/718634596.db2.gz FADSGDLKRVZWIV-WOJBJXKFSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332742 718634598 /nfs/dbraw/zinc/63/45/98/718634598.db2.gz FADSGDLKRVZWIV-WOJBJXKFSA-N 1 3 341.499 2.548 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981370189 718669002 /nfs/dbraw/zinc/66/90/02/718669002.db2.gz YKIOLBUEACCJBQ-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981370189 718669003 /nfs/dbraw/zinc/66/90/03/718669003.db2.gz YKIOLBUEACCJBQ-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001028094388 718727036 /nfs/dbraw/zinc/72/70/36/718727036.db2.gz YPJSWLBRPWRVIU-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001028094388 718727040 /nfs/dbraw/zinc/72/70/40/718727040.db2.gz YPJSWLBRPWRVIU-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000981485102 718753370 /nfs/dbraw/zinc/75/33/70/718753370.db2.gz GPOFZSDPAALENW-ROUUACIJSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000981484906 718753502 /nfs/dbraw/zinc/75/35/02/718753502.db2.gz CXCOUBLQUCLFAZ-HZPDHXFCSA-N 1 3 346.500 2.848 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000981484884 718753645 /nfs/dbraw/zinc/75/36/45/718753645.db2.gz CKVBXKVSMKOYBA-DLBZAZTESA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000981485488 718754404 /nfs/dbraw/zinc/75/44/04/718754404.db2.gz JPFLRFUYCWCVIQ-CABCVRRESA-N 1 3 332.473 2.539 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000981486539 718754798 /nfs/dbraw/zinc/75/47/98/718754798.db2.gz NZQWKZYSJIUGEN-ZWKOTPCHSA-N 1 3 340.471 2.520 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000981488237 718756130 /nfs/dbraw/zinc/75/61/30/718756130.db2.gz VRGCFOSZXTYZLY-DLBZAZTESA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000981489001 718756387 /nfs/dbraw/zinc/75/63/87/718756387.db2.gz YDHNWRPZPWNJLN-IAGOWNOFSA-N 1 3 344.503 2.858 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038327111 718763704 /nfs/dbraw/zinc/76/37/04/718763704.db2.gz IBTASQNNVUZARB-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038327111 718763705 /nfs/dbraw/zinc/76/37/05/718763705.db2.gz IBTASQNNVUZARB-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000981542937 718801022 /nfs/dbraw/zinc/80/10/22/718801022.db2.gz YGPBCSRWGLUYHM-QZTJIDSGSA-N 1 3 329.488 2.789 20 0 EFADHO CN(C)Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)c1 ZINC001164388005 718815487 /nfs/dbraw/zinc/81/54/87/718815487.db2.gz LVGBLXUGNOUTQW-HNNXBMFYSA-N 1 3 342.409 2.654 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3NCCO[C@H]3C2)nc1 ZINC001164390032 718825740 /nfs/dbraw/zinc/82/57/40/718825740.db2.gz LEYTUIJPCZEKTK-QRVBRYPASA-N 1 3 344.503 2.586 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3NCCO[C@H]3C2)nc1 ZINC001164390032 718825741 /nfs/dbraw/zinc/82/57/41/718825741.db2.gz LEYTUIJPCZEKTK-QRVBRYPASA-N 1 3 344.503 2.586 20 0 EFADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028105708 718867722 /nfs/dbraw/zinc/86/77/22/718867722.db2.gz YVVYPVZYXXXOBY-MRXNPFEDSA-N 1 3 347.484 2.797 20 0 EFADHO CN(C)Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028105708 718867728 /nfs/dbraw/zinc/86/77/28/718867728.db2.gz YVVYPVZYXXXOBY-MRXNPFEDSA-N 1 3 347.484 2.797 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)CC[N@@H+]1C ZINC000981776838 719026251 /nfs/dbraw/zinc/02/62/51/719026251.db2.gz YDHVAMLTNYYDGE-NVXWUHKLSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)CC[N@H+]1C ZINC000981776838 719026255 /nfs/dbraw/zinc/02/62/55/719026255.db2.gz YDHVAMLTNYYDGE-NVXWUHKLSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2)N1CCCCC1 ZINC000981769156 719028653 /nfs/dbraw/zinc/02/86/53/719028653.db2.gz ZVWBXBINCSXLQR-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC000981769156 719028658 /nfs/dbraw/zinc/02/86/58/719028658.db2.gz ZVWBXBINCSXLQR-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)C1CCC1 ZINC000981816272 719079179 /nfs/dbraw/zinc/07/91/79/719079179.db2.gz UEQDRHHGNKXUHY-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)C1CCC1 ZINC000981816272 719079184 /nfs/dbraw/zinc/07/91/84/719079184.db2.gz UEQDRHHGNKXUHY-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CCC1 ZINC000981816156 719079240 /nfs/dbraw/zinc/07/92/40/719079240.db2.gz ODIUIKASJSETTM-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CCC1 ZINC000981816156 719079242 /nfs/dbraw/zinc/07/92/42/719079242.db2.gz ODIUIKASJSETTM-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000981827871 719088011 /nfs/dbraw/zinc/08/80/11/719088011.db2.gz PFYGPKPLGRCNGG-IBGZPJMESA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000981827871 719088015 /nfs/dbraw/zinc/08/80/15/719088015.db2.gz PFYGPKPLGRCNGG-IBGZPJMESA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138160 719115242 /nfs/dbraw/zinc/11/52/42/719115242.db2.gz SZJIAAJUHNHRQZ-HXUWFJFHSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001025626813 719249709 /nfs/dbraw/zinc/24/97/09/719249709.db2.gz FZHOKFNMZYCROD-QFBILLFUSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001025626813 719249712 /nfs/dbraw/zinc/24/97/12/719249712.db2.gz FZHOKFNMZYCROD-QFBILLFUSA-N 1 3 349.494 2.938 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025808979 719322207 /nfs/dbraw/zinc/32/22/07/719322207.db2.gz INRDFICTDUTBAM-LPLOCXIKSA-N 1 3 347.547 2.734 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025808979 719322209 /nfs/dbraw/zinc/32/22/09/719322209.db2.gz INRDFICTDUTBAM-LPLOCXIKSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774817 719383165 /nfs/dbraw/zinc/38/31/65/719383165.db2.gz JRXQGAHRHFFIIV-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCCN3CC)C2)c1 ZINC001019820703 719391688 /nfs/dbraw/zinc/39/16/88/719391688.db2.gz VGGHAAPRDAANEI-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccsc2)C1)[NH+]1CCCC1 ZINC001019823013 719392020 /nfs/dbraw/zinc/39/20/20/719392020.db2.gz XLSGBGFVTVKFBV-DLBZAZTESA-N 1 3 335.517 2.559 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019822938 719392108 /nfs/dbraw/zinc/39/21/08/719392108.db2.gz PTCHKKTXTBFYNV-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCCC2CCC2)C3)C1 ZINC000982012894 719437529 /nfs/dbraw/zinc/43/75/29/719437529.db2.gz HNZMDSFBWSFOBU-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCCC2CCC2)C3)C1 ZINC000982012894 719437535 /nfs/dbraw/zinc/43/75/35/719437535.db2.gz HNZMDSFBWSFOBU-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(C)cc1)C2)N(C)C ZINC000982016911 719442926 /nfs/dbraw/zinc/44/29/26/719442926.db2.gz YSYXURFSRZAJSH-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(C)cc1)C2)N(C)C ZINC000982016911 719442928 /nfs/dbraw/zinc/44/29/28/719442928.db2.gz YSYXURFSRZAJSH-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCCN1CC(F)(F)F ZINC000925834021 719479041 /nfs/dbraw/zinc/47/90/41/719479041.db2.gz FRYWSLGANYUTAI-IMJJTQAJSA-N 1 3 329.410 2.561 20 0 EFADHO CC1CCC(C[N@@H+]2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC000982036305 719488962 /nfs/dbraw/zinc/48/89/62/719488962.db2.gz DOXFFPWBBXHOMM-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CCC(C[N@H+]2CCCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC000982036305 719488966 /nfs/dbraw/zinc/48/89/66/719488966.db2.gz DOXFFPWBBXHOMM-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCF)C2 ZINC000982052738 719506837 /nfs/dbraw/zinc/50/68/37/719506837.db2.gz YBDGWZOMRNSLEK-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCF)C2 ZINC000982052738 719506840 /nfs/dbraw/zinc/50/68/40/719506840.db2.gz YBDGWZOMRNSLEK-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339643 719513535 /nfs/dbraw/zinc/51/35/35/719513535.db2.gz JAIKCAXLLKPVRM-QZTJIDSGSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339643 719513541 /nfs/dbraw/zinc/51/35/41/719513541.db2.gz JAIKCAXLLKPVRM-QZTJIDSGSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000982084377 719527707 /nfs/dbraw/zinc/52/77/07/719527707.db2.gz PQGGQGXLPYSAAL-CTWPCTMYSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000982084377 719527711 /nfs/dbraw/zinc/52/77/11/719527711.db2.gz PQGGQGXLPYSAAL-CTWPCTMYSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000982081094 719544274 /nfs/dbraw/zinc/54/42/74/719544274.db2.gz IHJIVPJOVQBOHS-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000982081094 719544278 /nfs/dbraw/zinc/54/42/78/719544278.db2.gz IHJIVPJOVQBOHS-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC000982163483 719607588 /nfs/dbraw/zinc/60/75/88/719607588.db2.gz CBIPCDMQMPOMIS-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC000982163483 719607592 /nfs/dbraw/zinc/60/75/92/719607592.db2.gz CBIPCDMQMPOMIS-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC000982163487 719607646 /nfs/dbraw/zinc/60/76/46/719607646.db2.gz CIEYDPAHIZLZIP-CTWPCTMYSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC000982163487 719607650 /nfs/dbraw/zinc/60/76/50/719607650.db2.gz CIEYDPAHIZLZIP-CTWPCTMYSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026043130 719672156 /nfs/dbraw/zinc/67/21/56/719672156.db2.gz BOZPPHHMKKKJDW-DIJIZQCHSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026043130 719672160 /nfs/dbraw/zinc/67/21/60/719672160.db2.gz BOZPPHHMKKKJDW-DIJIZQCHSA-N 1 3 341.499 2.668 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001026138948 719786918 /nfs/dbraw/zinc/78/69/18/719786918.db2.gz LEYWHCXXDKOXJG-QXCZDIPSSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]21 ZINC001026138948 719786924 /nfs/dbraw/zinc/78/69/24/719786924.db2.gz LEYWHCXXDKOXJG-QXCZDIPSSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001026138947 719786993 /nfs/dbraw/zinc/78/69/93/719786993.db2.gz LEYWHCXXDKOXJG-NTZUZEMLSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]21 ZINC001026138947 719786994 /nfs/dbraw/zinc/78/69/94/719786994.db2.gz LEYWHCXXDKOXJG-NTZUZEMLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148523 719802397 /nfs/dbraw/zinc/80/23/97/719802397.db2.gz OBVSUKTYEPWETG-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148523 719802400 /nfs/dbraw/zinc/80/24/00/719802400.db2.gz OBVSUKTYEPWETG-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292745 719823661 /nfs/dbraw/zinc/82/36/61/719823661.db2.gz VPLPBNOFYLJZIZ-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292745 719823667 /nfs/dbraw/zinc/82/36/67/719823667.db2.gz VPLPBNOFYLJZIZ-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301748 719859799 /nfs/dbraw/zinc/85/97/99/719859799.db2.gz WVROZADMRJXVOY-YSIASYRMSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301748 719859807 /nfs/dbraw/zinc/85/98/07/719859807.db2.gz WVROZADMRJXVOY-YSIASYRMSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982301921 719860169 /nfs/dbraw/zinc/86/01/69/719860169.db2.gz ZXUNOMWNRKFQGY-BYVBSDERSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982301921 719860173 /nfs/dbraw/zinc/86/01/73/719860173.db2.gz ZXUNOMWNRKFQGY-BYVBSDERSA-N 1 3 349.563 2.789 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCN1CCCC1 ZINC000180016650 719884889 /nfs/dbraw/zinc/88/48/89/719884889.db2.gz JVFUYRRXJZNRDI-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCn1cc(Br)cn1 ZINC000261665391 719949940 /nfs/dbraw/zinc/94/99/40/719949940.db2.gz ZNVOKJSPRWQUIH-TZMCWYRMSA-N 1 3 329.286 2.546 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357044 724650496 /nfs/dbraw/zinc/65/04/96/724650496.db2.gz PQSPCRKZMPKFAU-PXNSSMCTSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986356030 724649965 /nfs/dbraw/zinc/64/99/65/724649965.db2.gz NYMFEPMXSPPQLD-BEFAXECRSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357702 724650921 /nfs/dbraw/zinc/65/09/21/724650921.db2.gz UNJOERRGFZPVSV-VQIMIIECSA-N 1 3 329.488 2.558 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1)C1CCC1 ZINC001026283444 720131004 /nfs/dbraw/zinc/13/10/04/720131004.db2.gz IDZHORYZYNXHGZ-SXLOBPIMSA-N 1 3 345.531 2.798 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1)C1CCC1 ZINC001026283561 720133566 /nfs/dbraw/zinc/13/35/66/720133566.db2.gz KBMAJSVMZQHYHZ-DFQSSKMNSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3)[C@H]2C1)C1CCC1 ZINC001026283913 720135325 /nfs/dbraw/zinc/13/53/25/720135325.db2.gz NARQBGMRTFRVPG-RYQLBKOJSA-N 1 3 347.528 2.559 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986358071 724651419 /nfs/dbraw/zinc/65/14/19/724651419.db2.gz WHVYWVBEMJUZLD-QFBILLFUSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1C ZINC000986358050 724651441 /nfs/dbraw/zinc/65/14/41/724651441.db2.gz WBCDDSAXPCCFGF-YLJYHZDGSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986352020 724659519 /nfs/dbraw/zinc/65/95/19/724659519.db2.gz FIZBJNHKLSEDAK-FXAWDEMLSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986353276 724660161 /nfs/dbraw/zinc/66/01/61/724660161.db2.gz IWEAZHVGYHNOMR-XLIONFOSSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001029829136 724663860 /nfs/dbraw/zinc/66/38/60/724663860.db2.gz VYDSBBZCDWYPMS-VQTJNVASSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001029829136 724663863 /nfs/dbraw/zinc/66/38/63/724663863.db2.gz VYDSBBZCDWYPMS-VQTJNVASSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001029829098 724663945 /nfs/dbraw/zinc/66/39/45/724663945.db2.gz UKEGFVUBIYJOOP-VQTJNVASSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001029829098 724663946 /nfs/dbraw/zinc/66/39/46/724663946.db2.gz UKEGFVUBIYJOOP-VQTJNVASSA-N 1 3 345.531 2.862 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1)[NH+](C)C ZINC001029828913 724664928 /nfs/dbraw/zinc/66/49/28/724664928.db2.gz OELPMQKZKMIFCI-QFBILLFUSA-N 1 3 349.494 2.692 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000245934246 720316042 /nfs/dbraw/zinc/31/60/42/720316042.db2.gz ISAZDAHOJABHHH-BBWFWOEESA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334372 720380142 /nfs/dbraw/zinc/38/01/42/720380142.db2.gz XOKIBVACYKORRS-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334372 720380145 /nfs/dbraw/zinc/38/01/45/720380145.db2.gz XOKIBVACYKORRS-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cs1 ZINC000947685571 720553738 /nfs/dbraw/zinc/55/37/38/720553738.db2.gz NRVBXMCLUOHMHW-KBXCAEBGSA-N 1 3 349.544 2.867 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CC2(CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001038393621 720555619 /nfs/dbraw/zinc/55/56/19/720555619.db2.gz IVNXEEXXTNBJHM-GOSISDBHSA-N 1 3 345.531 2.633 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]12 ZINC001026426311 720557589 /nfs/dbraw/zinc/55/75/89/720557589.db2.gz JZPGSZHDVLANGR-BHIYHBOVSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]12 ZINC001026427961 720559954 /nfs/dbraw/zinc/55/99/54/720559954.db2.gz XLXQOTVJZIMIIR-MISYRCLQSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026427963 720559982 /nfs/dbraw/zinc/55/99/82/720559982.db2.gz XLXQOTVJZIMIIR-YZGWKJHDSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001026427960 720560143 /nfs/dbraw/zinc/56/01/43/720560143.db2.gz XLXQOTVJZIMIIR-DFQSSKMNSA-N 1 3 343.515 2.844 20 0 EFADHO C[NH2+][C@H](C)Cc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000261705825 720563753 /nfs/dbraw/zinc/56/37/53/720563753.db2.gz IKJIHCBLUBXQQG-HIFRSBDPSA-N 1 3 332.423 2.739 20 0 EFADHO C[NH2+][C@H](C)Cc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000261705830 720574428 /nfs/dbraw/zinc/57/44/28/720574428.db2.gz IKJIHCBLUBXQQG-UKRRQHHQSA-N 1 3 332.423 2.739 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001029839640 724689011 /nfs/dbraw/zinc/68/90/11/724689011.db2.gz FTXRFHUQYHPZPY-HKUYNNGSSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001029839640 724689013 /nfs/dbraw/zinc/68/90/13/724689013.db2.gz FTXRFHUQYHPZPY-HKUYNNGSSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001029841456 724691146 /nfs/dbraw/zinc/69/11/46/724691146.db2.gz IFLLHUXBCWMTNH-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001029841456 724691149 /nfs/dbraw/zinc/69/11/49/724691149.db2.gz IFLLHUXBCWMTNH-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841562 724691832 /nfs/dbraw/zinc/69/18/32/724691832.db2.gz KBXIAZXWNIUQAB-QZTJIDSGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841562 724691833 /nfs/dbraw/zinc/69/18/33/724691833.db2.gz KBXIAZXWNIUQAB-QZTJIDSGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029842074 724693644 /nfs/dbraw/zinc/69/36/44/724693644.db2.gz NJNDMHZHOYNCEW-HOTGVXAUSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029842074 724693646 /nfs/dbraw/zinc/69/36/46/724693646.db2.gz NJNDMHZHOYNCEW-HOTGVXAUSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029843030 724698093 /nfs/dbraw/zinc/69/80/93/724698093.db2.gz BABMZGRJWWYESZ-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029843030 724698094 /nfs/dbraw/zinc/69/80/94/724698094.db2.gz BABMZGRJWWYESZ-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982520262 720703647 /nfs/dbraw/zinc/70/36/47/720703647.db2.gz PHAKHQYVVZGNBV-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982520262 720703650 /nfs/dbraw/zinc/70/36/50/720703650.db2.gz PHAKHQYVVZGNBV-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029843240 724702207 /nfs/dbraw/zinc/70/22/07/724702207.db2.gz GNCAGKYJVGNBOK-HKUYNNGSSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029843240 724702209 /nfs/dbraw/zinc/70/22/09/724702209.db2.gz GNCAGKYJVGNBOK-HKUYNNGSSA-N 1 3 331.504 2.616 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC001026560798 720748060 /nfs/dbraw/zinc/74/80/60/720748060.db2.gz DVZOBXYBTRDBRQ-ODIFPOPNSA-N 1 3 335.517 2.607 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC001026561223 720748646 /nfs/dbraw/zinc/74/86/46/720748646.db2.gz SRSOHFFEVIPVRU-JEYLPNPQSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCc3cccs3)CC2)C1 ZINC001026560878 720748753 /nfs/dbraw/zinc/74/87/53/720748753.db2.gz HZVSBEKMQJQYDI-KLAILNCOSA-N 1 3 349.544 2.649 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CCc2cccs2)CC1 ZINC001026560899 720748876 /nfs/dbraw/zinc/74/88/76/720748876.db2.gz ISYCEUPHDXQRNJ-KLAILNCOSA-N 1 3 349.544 2.792 20 0 EFADHO Cn1ncc2c1CCC[C@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000162598406 720792147 /nfs/dbraw/zinc/79/21/47/720792147.db2.gz CWFPHTPEUYONIS-GOSISDBHSA-N 1 3 328.460 2.528 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2CCCCC2)CC1 ZINC001026598600 720798223 /nfs/dbraw/zinc/79/82/23/720798223.db2.gz OZPOVEMWTFECJZ-UHFFFAOYSA-N 1 3 332.492 2.858 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000982554611 720823145 /nfs/dbraw/zinc/82/31/45/720823145.db2.gz ZSNCYMODDJLUBX-UIFIKXQLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000982554611 720823149 /nfs/dbraw/zinc/82/31/49/720823149.db2.gz ZSNCYMODDJLUBX-UIFIKXQLSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554603 720823314 /nfs/dbraw/zinc/82/33/14/720823314.db2.gz ZDYJDIXOLWFXIK-DZFGPLHGSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554603 720823319 /nfs/dbraw/zinc/82/33/19/720823319.db2.gz ZDYJDIXOLWFXIK-DZFGPLHGSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557124 720828549 /nfs/dbraw/zinc/82/85/49/720828549.db2.gz KOEQMAMYOAXDHT-KVPLUYHFSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557124 720828557 /nfs/dbraw/zinc/82/85/57/720828557.db2.gz KOEQMAMYOAXDHT-KVPLUYHFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001008510414 720853451 /nfs/dbraw/zinc/85/34/51/720853451.db2.gz PQKYDCXVHDIJJO-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001008510414 720853458 /nfs/dbraw/zinc/85/34/58/720853458.db2.gz PQKYDCXVHDIJJO-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982599655 720933351 /nfs/dbraw/zinc/93/33/51/720933351.db2.gz RCYOMIYQBRIZNE-KDURUIRLSA-N 1 3 332.492 2.559 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982599655 720933353 /nfs/dbraw/zinc/93/33/53/720933353.db2.gz RCYOMIYQBRIZNE-KDURUIRLSA-N 1 3 332.492 2.559 20 0 EFADHO CC1(C)CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000982600236 720933748 /nfs/dbraw/zinc/93/37/48/720933748.db2.gz XDEDVXGVEKPCPE-BGYRXZFFSA-N 1 3 344.503 2.559 20 0 EFADHO CC1(C)CC(C[N@H+]2C[C@@]3(C)CN(C(=O)Cc4c[nH]cn4)C[C@@]3(C)C2)C1 ZINC000982600236 720933751 /nfs/dbraw/zinc/93/37/51/720933751.db2.gz XDEDVXGVEKPCPE-BGYRXZFFSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028537053 720986307 /nfs/dbraw/zinc/98/63/07/720986307.db2.gz GIRVMZVUIGDQMY-SJLPKXTDSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028537053 720986309 /nfs/dbraw/zinc/98/63/09/720986309.db2.gz GIRVMZVUIGDQMY-SJLPKXTDSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028537809 720987864 /nfs/dbraw/zinc/98/78/64/720987864.db2.gz SPEOCVNFZDJUBO-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028537809 720987866 /nfs/dbraw/zinc/98/78/66/720987866.db2.gz SPEOCVNFZDJUBO-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001028537794 720988118 /nfs/dbraw/zinc/98/81/18/720988118.db2.gz SDTXORAZYTVSNT-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001028537794 720988120 /nfs/dbraw/zinc/98/81/20/720988120.db2.gz SDTXORAZYTVSNT-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](NCCC[NH+]2CCCCC2)C1 ZINC000194305600 721013888 /nfs/dbraw/zinc/01/38/88/721013888.db2.gz MJLSCQDNEHKTDZ-INIZCTEOSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H](NCCC[NH+]2CCCCC2)C1 ZINC000194305614 721013906 /nfs/dbraw/zinc/01/39/06/721013906.db2.gz MJLSCQDNEHKTDZ-MRXNPFEDSA-N 1 3 325.497 2.852 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001029947001 724728942 /nfs/dbraw/zinc/72/89/42/724728942.db2.gz CUKOLULPPZYMLN-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001029947001 724728943 /nfs/dbraw/zinc/72/89/43/724728943.db2.gz CUKOLULPPZYMLN-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028579198 721091875 /nfs/dbraw/zinc/09/18/75/721091875.db2.gz BLACXCPPCMYKKQ-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028579198 721091879 /nfs/dbraw/zinc/09/18/79/721091879.db2.gz BLACXCPPCMYKKQ-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028579809 721101551 /nfs/dbraw/zinc/10/15/51/721101551.db2.gz JGKFNEIWYDPCFT-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028579809 721101552 /nfs/dbraw/zinc/10/15/52/721101552.db2.gz JGKFNEIWYDPCFT-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028579764 721101605 /nfs/dbraw/zinc/10/16/05/721101605.db2.gz IJAVZIYOLNQRJF-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028579764 721101606 /nfs/dbraw/zinc/10/16/06/721101606.db2.gz IJAVZIYOLNQRJF-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580411 721110242 /nfs/dbraw/zinc/11/02/42/721110242.db2.gz VVSSUAIGOXJLIH-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580411 721110244 /nfs/dbraw/zinc/11/02/44/721110244.db2.gz VVSSUAIGOXJLIH-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ncoc1CNCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000894192762 721187773 /nfs/dbraw/zinc/18/77/73/721187773.db2.gz BYXKOCMJYCRJQG-UHFFFAOYSA-N 1 3 328.460 2.675 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974604046 721193311 /nfs/dbraw/zinc/19/33/11/721193311.db2.gz DJBSMBOTOINJDX-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974604046 721193314 /nfs/dbraw/zinc/19/33/14/721193314.db2.gz DJBSMBOTOINJDX-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1CN1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608170 721204672 /nfs/dbraw/zinc/20/46/72/721204672.db2.gz WFBJUGJZUFXLER-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608170 721204675 /nfs/dbraw/zinc/20/46/75/721204675.db2.gz WFBJUGJZUFXLER-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3nccc4ccccc43)CC2)CC1 ZINC000894211631 721258800 /nfs/dbraw/zinc/25/88/00/721258800.db2.gz RCLKOAKGRMFCIS-UHFFFAOYSA-N 1 3 338.499 2.883 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683948 721284703 /nfs/dbraw/zinc/28/47/03/721284703.db2.gz QPQXGUMLWVGNCJ-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683948 721284707 /nfs/dbraw/zinc/28/47/07/721284707.db2.gz QPQXGUMLWVGNCJ-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683949 721285133 /nfs/dbraw/zinc/28/51/33/721285133.db2.gz QPQXGUMLWVGNCJ-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683949 721285135 /nfs/dbraw/zinc/28/51/35/721285135.db2.gz QPQXGUMLWVGNCJ-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC1(C)C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000974685110 721287194 /nfs/dbraw/zinc/28/71/94/721287194.db2.gz TWJKQGKNRMCBQF-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CC1(C)C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000974685110 721287196 /nfs/dbraw/zinc/28/71/96/721287196.db2.gz TWJKQGKNRMCBQF-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001026884991 721293912 /nfs/dbraw/zinc/29/39/12/721293912.db2.gz FDEJXYMFHMJDBM-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885661 721294270 /nfs/dbraw/zinc/29/42/70/721294270.db2.gz KYWXQRJLWPEKSI-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885392 721294553 /nfs/dbraw/zinc/29/45/53/721294553.db2.gz JGFNFUUPRQMHIZ-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC001026889072 721297058 /nfs/dbraw/zinc/29/70/58/721297058.db2.gz ROCIEXAUBRISLG-SFHVURJKSA-N 1 3 347.547 2.879 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001026888960 721297415 /nfs/dbraw/zinc/29/74/15/721297415.db2.gz PWYBINHSVUJOGK-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001026889214 721298210 /nfs/dbraw/zinc/29/82/10/721298210.db2.gz UDOMGFJJLKEPSS-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3ccccc32)C1)C1CCC1 ZINC001026889692 721298561 /nfs/dbraw/zinc/29/85/61/721298561.db2.gz ZRGWIENSRWMDTA-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001026889709 721298886 /nfs/dbraw/zinc/29/88/86/721298886.db2.gz ZYHOKMLFINOTFZ-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001026891323 721301024 /nfs/dbraw/zinc/30/10/24/721301024.db2.gz RPZCFFYIRIOFMT-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001026891325 721301083 /nfs/dbraw/zinc/30/10/83/721301083.db2.gz RPZCFFYIRIOFMT-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832363 721302811 /nfs/dbraw/zinc/30/28/11/721302811.db2.gz XBZOQWKGGHUPQV-DGQTTZFYSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832363 721302813 /nfs/dbraw/zinc/30/28/13/721302813.db2.gz XBZOQWKGGHUPQV-DGQTTZFYSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832035 721305046 /nfs/dbraw/zinc/30/50/46/721305046.db2.gz SRIMTBHPVPPSBJ-UKAVVXHISA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832035 721305049 /nfs/dbraw/zinc/30/50/49/721305049.db2.gz SRIMTBHPVPPSBJ-UKAVVXHISA-N 1 3 347.547 2.996 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887533 721307024 /nfs/dbraw/zinc/30/70/24/721307024.db2.gz QQOCHTWTZCQKAU-XLIONFOSSA-N 1 3 343.515 2.582 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001026888217 721308466 /nfs/dbraw/zinc/30/84/66/721308466.db2.gz APOMBYCDLTUUGU-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC001026888433 721309308 /nfs/dbraw/zinc/30/93/08/721309308.db2.gz FVWDONOFYZTPNL-QUCCMNQESA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645735 724750617 /nfs/dbraw/zinc/75/06/17/724750617.db2.gz CZOVWGRFQFODTQ-GOSISDBHSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645735 724750619 /nfs/dbraw/zinc/75/06/19/724750619.db2.gz CZOVWGRFQFODTQ-GOSISDBHSA-N 1 3 327.488 2.530 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000985646850 724751902 /nfs/dbraw/zinc/75/19/02/724751902.db2.gz LWPONNHVRJHKJZ-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000985646850 724751905 /nfs/dbraw/zinc/75/19/05/724751905.db2.gz LWPONNHVRJHKJZ-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001026916907 721343969 /nfs/dbraw/zinc/34/39/69/721343969.db2.gz RJUUDDFZYSQEQT-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001026916954 721344003 /nfs/dbraw/zinc/34/40/03/721344003.db2.gz SXVXVMYWLGSJDG-FXAWDEMLSA-N 1 3 343.515 2.842 20 0 EFADHO CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)C34CCCN3CCC4)C(C)(C)C2)C1 ZINC000974772546 721418617 /nfs/dbraw/zinc/41/86/17/721418617.db2.gz GVHNVEMELIAMNW-QGZVFWFLSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2C[C@@H](NC(=O)C34CCCN3CCC4)C(C)(C)C2)C1 ZINC000974772546 721418619 /nfs/dbraw/zinc/41/86/19/721418619.db2.gz GVHNVEMELIAMNW-QGZVFWFLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CCc3cccs3)CC2)C1 ZINC000985654464 724762914 /nfs/dbraw/zinc/76/29/14/724762914.db2.gz OSHUENPMIQBEEY-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCc3cccs3)CC2)C1 ZINC000985654464 724762915 /nfs/dbraw/zinc/76/29/15/724762915.db2.gz OSHUENPMIQBEEY-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762179 721419982 /nfs/dbraw/zinc/41/99/82/721419982.db2.gz WMUGAMFKCYQPRO-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762179 721419984 /nfs/dbraw/zinc/41/99/84/721419984.db2.gz WMUGAMFKCYQPRO-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974861547 721483442 /nfs/dbraw/zinc/48/34/42/721483442.db2.gz HEHSPWXUSBMWDB-QZTJIDSGSA-N 1 3 333.520 2.654 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974866590 721487345 /nfs/dbraw/zinc/48/73/45/721487345.db2.gz ZBADYEYQEKYVLL-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974866590 721487347 /nfs/dbraw/zinc/48/73/47/721487347.db2.gz ZBADYEYQEKYVLL-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853869 724780445 /nfs/dbraw/zinc/78/04/45/724780445.db2.gz SBZXMJGACRIXGJ-IRXDYDNUSA-N 1 3 340.471 2.802 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853869 724780446 /nfs/dbraw/zinc/78/04/46/724780446.db2.gz SBZXMJGACRIXGJ-IRXDYDNUSA-N 1 3 340.471 2.802 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC001029970233 724777088 /nfs/dbraw/zinc/77/70/88/724777088.db2.gz QLIKJFFYXKLIME-LJQANCHMSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC001029970233 724777090 /nfs/dbraw/zinc/77/70/90/724777090.db2.gz QLIKJFFYXKLIME-LJQANCHMSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001029853753 724779912 /nfs/dbraw/zinc/77/99/12/724779912.db2.gz RBYIDPOBHFTPBX-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001029853753 724779914 /nfs/dbraw/zinc/77/99/14/724779914.db2.gz RBYIDPOBHFTPBX-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675868 724786313 /nfs/dbraw/zinc/78/63/13/724786313.db2.gz XFYUCKNMVQISFL-OAHLLOKOSA-N 1 3 326.444 2.636 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675868 724786315 /nfs/dbraw/zinc/78/63/15/724786315.db2.gz XFYUCKNMVQISFL-OAHLLOKOSA-N 1 3 326.444 2.636 20 0 EFADHO C[NH+]1CCC(CN[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000894264187 721786599 /nfs/dbraw/zinc/78/65/99/721786599.db2.gz VKQUDTIEOIWHNE-CQSZACIVSA-N 1 3 343.240 2.953 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028845145 722043431 /nfs/dbraw/zinc/04/34/31/722043431.db2.gz GXUITSIZBARTTE-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028845145 722043433 /nfs/dbraw/zinc/04/34/33/722043433.db2.gz GXUITSIZBARTTE-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001028845549 722044178 /nfs/dbraw/zinc/04/41/78/722044178.db2.gz MILFVEAWUNXLJS-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001028845549 722044179 /nfs/dbraw/zinc/04/41/79/722044179.db2.gz MILFVEAWUNXLJS-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCN(C/C=C\Cl)C2)cc1 ZINC001028870891 722063214 /nfs/dbraw/zinc/06/32/14/722063214.db2.gz XWGVKEHQRSWSDG-QBIOEUEZSA-N 1 3 335.879 2.552 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028919516 722097065 /nfs/dbraw/zinc/09/70/65/722097065.db2.gz ZCOZROOLYMEXEK-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028919516 722097066 /nfs/dbraw/zinc/09/70/66/722097066.db2.gz ZCOZROOLYMEXEK-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028984726 722597623 /nfs/dbraw/zinc/59/76/23/722597623.db2.gz DRDFKUCUIAULET-HZPDHXFCSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028984726 722597626 /nfs/dbraw/zinc/59/76/26/722597626.db2.gz DRDFKUCUIAULET-HZPDHXFCSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028984725 722597712 /nfs/dbraw/zinc/59/77/12/722597712.db2.gz DRDFKUCUIAULET-HOTGVXAUSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028984725 722597714 /nfs/dbraw/zinc/59/77/14/722597714.db2.gz DRDFKUCUIAULET-HOTGVXAUSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001028985064 722598921 /nfs/dbraw/zinc/59/89/21/722598921.db2.gz HQUDHRBIDCUVCT-RDJZCZTQSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001028985064 722598922 /nfs/dbraw/zinc/59/89/22/722598922.db2.gz HQUDHRBIDCUVCT-RDJZCZTQSA-N 1 3 349.906 2.538 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001029000491 722617655 /nfs/dbraw/zinc/61/76/55/722617655.db2.gz FWAMMDPFWBTCPC-ZHMISCPASA-N 1 3 335.879 2.552 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001029000486 722617704 /nfs/dbraw/zinc/61/77/04/722617704.db2.gz FVZUECIBEWXRLM-AVAKVYKDSA-N 1 3 343.515 2.846 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](CNC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001029000486 722617705 /nfs/dbraw/zinc/61/77/05/722617705.db2.gz FVZUECIBEWXRLM-AVAKVYKDSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001029001758 722619704 /nfs/dbraw/zinc/61/97/04/722619704.db2.gz BSRLEPDOOYSYGA-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001029001758 722619706 /nfs/dbraw/zinc/61/97/06/722619706.db2.gz BSRLEPDOOYSYGA-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065113 722724963 /nfs/dbraw/zinc/72/49/63/722724963.db2.gz CPTMALQBIDHNHW-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001029065151 722725103 /nfs/dbraw/zinc/72/51/03/722725103.db2.gz CXXGJWQJBZDHSA-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001029065365 722725146 /nfs/dbraw/zinc/72/51/46/722725146.db2.gz GGOXAJKOANRSKA-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065793 722725952 /nfs/dbraw/zinc/72/59/52/722725952.db2.gz KNWNFQHCQIYIAC-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065795 722725960 /nfs/dbraw/zinc/72/59/60/722725960.db2.gz KNWNFQHCQIYIAC-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1nn(C(C)C)c(C)c1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000894454072 722740039 /nfs/dbraw/zinc/74/00/39/722740039.db2.gz MNVYTRQHXXJCML-UHFFFAOYSA-N 1 3 335.540 2.539 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000894455153 722742405 /nfs/dbraw/zinc/74/24/05/722742405.db2.gz FWDYRNQXLAWEFV-FHERZECASA-N 1 3 325.497 2.610 20 0 EFADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000894477436 722751697 /nfs/dbraw/zinc/75/16/97/722751697.db2.gz QYFMJFMHBFQROU-MRXNPFEDSA-N 1 3 334.435 2.776 20 0 EFADHO COC[C@@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894616138 722797628 /nfs/dbraw/zinc/79/76/28/722797628.db2.gz DQNKHYPTYBBNTI-UYAOXDASSA-N 1 3 334.504 2.522 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107372 722877994 /nfs/dbraw/zinc/87/79/94/722877994.db2.gz LZKHZIRVWSUOGQ-HNNXBMFYSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107779 722878479 /nfs/dbraw/zinc/87/84/79/722878479.db2.gz QCDYGRPEPZVCPD-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029108149 722878906 /nfs/dbraw/zinc/87/89/06/722878906.db2.gz XDKABLXLEHLQHW-DNVCBOLYSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029108148 722879096 /nfs/dbraw/zinc/87/90/96/722879096.db2.gz XDKABLXLEHLQHW-BEFAXECRSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1)N(C)C ZINC001029110479 722881305 /nfs/dbraw/zinc/88/13/05/722881305.db2.gz PBCZJQXVPKKVQH-LPHOPBHVSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143391 722923952 /nfs/dbraw/zinc/92/39/52/722923952.db2.gz HECVNWPMUYZIHT-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001029145496 722924512 /nfs/dbraw/zinc/92/45/12/722924512.db2.gz WGOOYALQHRQBLN-YOEHRIQHSA-N 1 3 337.533 2.805 20 0 EFADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001029147344 722925480 /nfs/dbraw/zinc/92/54/80/722925480.db2.gz QJBRNQGPWAYGAF-KXBFYZLASA-N 1 3 341.515 2.824 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147623 722925510 /nfs/dbraw/zinc/92/55/10/722925510.db2.gz XWJDZBVOMGCKJG-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150085 722927998 /nfs/dbraw/zinc/92/79/98/722927998.db2.gz IOXIDROGSVYXSN-AWEZNQCLSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001029150189 722928178 /nfs/dbraw/zinc/92/81/78/722928178.db2.gz KRPQKMYFEMVUJK-INIZCTEOSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029159979 722932595 /nfs/dbraw/zinc/93/25/95/722932595.db2.gz MNTWJYPWUHKJOQ-XBMUEBEBSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001029172291 722940386 /nfs/dbraw/zinc/94/03/86/722940386.db2.gz BFYCVXXYOCSJBO-INIZCTEOSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173198 722940919 /nfs/dbraw/zinc/94/09/19/722940919.db2.gz KXFWBVOCDPPIMB-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001029173175 722941417 /nfs/dbraw/zinc/94/14/17/722941417.db2.gz MXNYKTJAEFFRGS-MRXNPFEDSA-N 1 3 331.504 2.987 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(F)c(C)c3)CC2)CC1 ZINC000894976096 723041531 /nfs/dbraw/zinc/04/15/31/723041531.db2.gz AVJMAWVGBWKDOV-UHFFFAOYSA-N 1 3 334.483 2.521 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000896033512 723102268 /nfs/dbraw/zinc/10/22/68/723102268.db2.gz NUZTVRXCFRYVKA-IEBWSBKVSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000896033513 723102328 /nfs/dbraw/zinc/10/23/28/723102328.db2.gz NUZTVRXCFRYVKA-MJGOQNOKSA-N 1 3 347.503 2.723 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106729 723140753 /nfs/dbraw/zinc/14/07/53/723140753.db2.gz WNFROQSKQJROMH-QAPCUYQASA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106729 723140755 /nfs/dbraw/zinc/14/07/55/723140755.db2.gz WNFROQSKQJROMH-QAPCUYQASA-N 1 3 335.492 2.581 20 0 EFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001029311253 723334167 /nfs/dbraw/zinc/33/41/67/723334167.db2.gz HEYLAAJENZRHCT-HSALFYBXSA-N 1 3 343.515 2.504 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029330343 723364039 /nfs/dbraw/zinc/36/40/39/723364039.db2.gz LPVLEEOCQUXRCH-FGTMMUONSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029330343 723364042 /nfs/dbraw/zinc/36/40/42/723364042.db2.gz LPVLEEOCQUXRCH-FGTMMUONSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)C1CC1 ZINC001029337871 723387913 /nfs/dbraw/zinc/38/79/13/723387913.db2.gz NENHHPUTDDLDCC-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)C1CC1 ZINC001029337871 723387914 /nfs/dbraw/zinc/38/79/14/723387914.db2.gz NENHHPUTDDLDCC-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000939208482 728816505 /nfs/dbraw/zinc/81/65/05/728816505.db2.gz CPICUUYPDGVDMR-QAPCUYQASA-N 1 3 332.492 2.749 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939209521 728817065 /nfs/dbraw/zinc/81/70/65/728817065.db2.gz GYZIQZUCARQJSG-HNAYVOBHSA-N 1 3 340.471 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(C)C ZINC001029347565 723405386 /nfs/dbraw/zinc/40/53/86/723405386.db2.gz ZCHNMYGPJAGMCM-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(C)C ZINC001029347565 723405388 /nfs/dbraw/zinc/40/53/88/723405388.db2.gz ZCHNMYGPJAGMCM-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000896631387 723413851 /nfs/dbraw/zinc/41/38/51/723413851.db2.gz PLGQWKCGMYEXSC-LZQZEXGQSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000896631387 723413852 /nfs/dbraw/zinc/41/38/52/723413852.db2.gz PLGQWKCGMYEXSC-LZQZEXGQSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000896631391 723413961 /nfs/dbraw/zinc/41/39/61/723413961.db2.gz PLGQWKCGMYEXSC-SNRMKQJTSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000896631391 723413962 /nfs/dbraw/zinc/41/39/62/723413962.db2.gz PLGQWKCGMYEXSC-SNRMKQJTSA-N 1 3 347.503 2.533 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896753402 723464151 /nfs/dbraw/zinc/46/41/51/723464151.db2.gz WWYRQPKECAAPDP-IEBWSBKVSA-N 1 3 347.503 2.677 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896753401 723464273 /nfs/dbraw/zinc/46/42/73/723464273.db2.gz WWYRQPKECAAPDP-HKUYNNGSSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC000984799514 723494461 /nfs/dbraw/zinc/49/44/61/723494461.db2.gz IICOOGAPPKESEZ-QAETUUGQSA-N 1 3 347.478 2.855 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000984800718 723494887 /nfs/dbraw/zinc/49/48/87/723494887.db2.gz SIVRAXZOKAAQJT-VDGAXYAQSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000984800904 723495122 /nfs/dbraw/zinc/49/51/22/723495122.db2.gz ULZXZZVCLDWKKU-QWFCFKBJSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000984803718 723495753 /nfs/dbraw/zinc/49/57/53/723495753.db2.gz ITGVGDRZZSZDME-YVWKXTFCSA-N 1 3 343.515 2.630 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC000984803889 723496025 /nfs/dbraw/zinc/49/60/25/723496025.db2.gz KRJBOLIKBDKWBT-IYARVYRRSA-N 1 3 335.536 2.783 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000984806420 723496872 /nfs/dbraw/zinc/49/68/72/723496872.db2.gz XWAFKYDZZSQLSO-VDGAXYAQSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cs1 ZINC000984802891 723500914 /nfs/dbraw/zinc/50/09/14/723500914.db2.gz FBPHDTLYQGVHLC-FRFSOERESA-N 1 3 335.517 2.525 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC000948066698 728836431 /nfs/dbraw/zinc/83/64/31/728836431.db2.gz QNBBCVAREQOIFP-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC000948066698 728836434 /nfs/dbraw/zinc/83/64/34/728836434.db2.gz QNBBCVAREQOIFP-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000985074810 723818387 /nfs/dbraw/zinc/81/83/87/723818387.db2.gz BGAZDBDTHMGEDW-QAQDUYKDSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000985075516 723818803 /nfs/dbraw/zinc/81/88/03/723818803.db2.gz JVSHFTDFAQIDMS-SUYBPPKGSA-N 1 3 344.434 2.645 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000985075512 723818888 /nfs/dbraw/zinc/81/88/88/723818888.db2.gz JVSHFTDFAQIDMS-JDFRZJQESA-N 1 3 344.434 2.645 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC2(CC2)CC1)C12CCC[NH+]1CCC2 ZINC001038456064 723827035 /nfs/dbraw/zinc/82/70/35/723827035.db2.gz UVIMEGNWAOPUEG-GOSISDBHSA-N 1 3 345.531 2.776 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029552852 723874969 /nfs/dbraw/zinc/87/49/69/723874969.db2.gz FSWOWZVZOHCTNW-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029552852 723874971 /nfs/dbraw/zinc/87/49/71/723874971.db2.gz FSWOWZVZOHCTNW-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029553453 723877546 /nfs/dbraw/zinc/87/75/46/723877546.db2.gz UKJUOZAPWVXCQP-GBESFXJTSA-N 1 3 331.504 2.504 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029553453 723877550 /nfs/dbraw/zinc/87/75/50/723877550.db2.gz UKJUOZAPWVXCQP-GBESFXJTSA-N 1 3 331.504 2.504 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000985149219 723886364 /nfs/dbraw/zinc/88/63/64/723886364.db2.gz MJYZMOJHURTZIK-UBWZFYQTSA-N 1 3 347.478 2.683 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000985149688 723887278 /nfs/dbraw/zinc/88/72/78/723887278.db2.gz OIPBINGUHCKPGF-BHIYHBOVSA-N 1 3 347.478 2.685 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000985150892 723889744 /nfs/dbraw/zinc/88/97/44/723889744.db2.gz UGYGUXXSSRUAAG-UFYCRDLUSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000985155479 723890066 /nfs/dbraw/zinc/89/00/66/723890066.db2.gz ZUYODWLXARWCLP-SZVBFZGTSA-N 1 3 347.478 2.685 20 0 EFADHO [O-]c1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000895345964 724054073 /nfs/dbraw/zinc/05/40/73/724054073.db2.gz BAZAAGDWNYORSR-UHFFFAOYSA-N 1 3 329.419 2.928 20 0 EFADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C2CC2)n1 ZINC000895347279 724055661 /nfs/dbraw/zinc/05/56/61/724055661.db2.gz FFLMCQHJKVZGQA-UHFFFAOYSA-N 1 3 339.487 2.694 20 0 EFADHO CCn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C)n1 ZINC000895347659 724058274 /nfs/dbraw/zinc/05/82/74/724058274.db2.gz LZCSQTHLAMTZGY-UHFFFAOYSA-N 1 3 327.476 2.608 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985327956 724129103 /nfs/dbraw/zinc/12/91/03/724129103.db2.gz OMZYFWLSBSNXAS-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985327956 724129104 /nfs/dbraw/zinc/12/91/04/724129104.db2.gz OMZYFWLSBSNXAS-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000985331491 724130899 /nfs/dbraw/zinc/13/08/99/724130899.db2.gz GPFAVTWTNMLSKK-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000985331491 724130901 /nfs/dbraw/zinc/13/09/01/724130901.db2.gz GPFAVTWTNMLSKK-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000985332432 724131446 /nfs/dbraw/zinc/13/14/46/724131446.db2.gz OHPGNWAPZKQEJX-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000985332432 724131449 /nfs/dbraw/zinc/13/14/49/724131449.db2.gz OHPGNWAPZKQEJX-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985328466 724131777 /nfs/dbraw/zinc/13/17/77/724131777.db2.gz UJCGGECQDRWFSZ-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985328466 724131779 /nfs/dbraw/zinc/13/17/79/724131779.db2.gz UJCGGECQDRWFSZ-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC000985334488 724135660 /nfs/dbraw/zinc/13/56/60/724135660.db2.gz MWRDLSVHYXTKCV-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC000985334488 724135663 /nfs/dbraw/zinc/13/56/63/724135663.db2.gz MWRDLSVHYXTKCV-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029583054 724181096 /nfs/dbraw/zinc/18/10/96/724181096.db2.gz LQDQFPPKNMPJRV-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029583054 724181100 /nfs/dbraw/zinc/18/11/00/724181100.db2.gz LQDQFPPKNMPJRV-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029596649 724201189 /nfs/dbraw/zinc/20/11/89/724201189.db2.gz UABIHAVISJYKAZ-TVFCKZIOSA-N 1 3 335.536 2.971 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029596649 724201192 /nfs/dbraw/zinc/20/11/92/724201192.db2.gz UABIHAVISJYKAZ-TVFCKZIOSA-N 1 3 335.536 2.971 20 0 EFADHO CC[NH+]1CCC(CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000895858557 724355012 /nfs/dbraw/zinc/35/50/12/724355012.db2.gz OKFIBFIATLSSPF-IBGZPJMESA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671916 724359839 /nfs/dbraw/zinc/35/98/39/724359839.db2.gz FFGAQOTXBXESFC-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671916 724359843 /nfs/dbraw/zinc/35/98/43/724359843.db2.gz FFGAQOTXBXESFC-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672634 724362007 /nfs/dbraw/zinc/36/20/07/724362007.db2.gz LTVDLKAHVWTDJS-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672634 724362011 /nfs/dbraw/zinc/36/20/11/724362011.db2.gz LTVDLKAHVWTDJS-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029673162 724363878 /nfs/dbraw/zinc/36/38/78/724363878.db2.gz WQBOPQSFUOGRFX-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029673162 724363885 /nfs/dbraw/zinc/36/38/85/724363885.db2.gz WQBOPQSFUOGRFX-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029675152 724368013 /nfs/dbraw/zinc/36/80/13/724368013.db2.gz LDZJHEWYTYCAGJ-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029675152 724368017 /nfs/dbraw/zinc/36/80/17/724368017.db2.gz LDZJHEWYTYCAGJ-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001029675599 724368744 /nfs/dbraw/zinc/36/87/44/724368744.db2.gz REYZFMXQJSLQRR-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001029675599 724368747 /nfs/dbraw/zinc/36/87/47/724368747.db2.gz REYZFMXQJSLQRR-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001029675960 724369437 /nfs/dbraw/zinc/36/94/37/724369437.db2.gz XYOFIVUJLBVIAI-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001029675960 724369441 /nfs/dbraw/zinc/36/94/41/724369441.db2.gz XYOFIVUJLBVIAI-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790651 724887377 /nfs/dbraw/zinc/88/73/77/724887377.db2.gz WJDBHELPSQVZSM-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790651 724887379 /nfs/dbraw/zinc/88/73/79/724887379.db2.gz WJDBHELPSQVZSM-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985792002 724889281 /nfs/dbraw/zinc/88/92/81/724889281.db2.gz LTNXYFUDUIINRP-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985792002 724889282 /nfs/dbraw/zinc/88/92/82/724889282.db2.gz LTNXYFUDUIINRP-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3=CCCCC3)C2)CC1 ZINC001029874784 724967634 /nfs/dbraw/zinc/96/76/34/724967634.db2.gz COWBRPQSLIGVPG-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC001029874784 724967637 /nfs/dbraw/zinc/96/76/37/724967637.db2.gz COWBRPQSLIGVPG-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986943554 724978207 /nfs/dbraw/zinc/97/82/07/724978207.db2.gz XFTHODBFIDAZRB-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC001029995426 724982352 /nfs/dbraw/zinc/98/23/52/724982352.db2.gz JVSPEDGECWBZFX-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC001029995426 724982353 /nfs/dbraw/zinc/98/23/53/724982353.db2.gz JVSPEDGECWBZFX-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001029995465 724982609 /nfs/dbraw/zinc/98/26/09/724982609.db2.gz KYTFMSDFXYOVPA-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001029995465 724982613 /nfs/dbraw/zinc/98/26/13/724982613.db2.gz KYTFMSDFXYOVPA-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000352 724995549 /nfs/dbraw/zinc/99/55/49/724995549.db2.gz WTACSHOOZAYMBG-UHFFFAOYSA-N 1 3 332.492 2.559 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000352 724995552 /nfs/dbraw/zinc/99/55/52/724995552.db2.gz WTACSHOOZAYMBG-UHFFFAOYSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992008979 725459626 /nfs/dbraw/zinc/45/96/26/725459626.db2.gz FCHVGHVSWCQLPF-SVFBPWRDSA-N 1 3 345.531 2.940 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992008979 725459628 /nfs/dbraw/zinc/45/96/28/725459628.db2.gz FCHVGHVSWCQLPF-SVFBPWRDSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055779 725465642 /nfs/dbraw/zinc/46/56/42/725465642.db2.gz CWRAXZPIEHANGP-YWZLYKJASA-N 1 3 348.450 2.885 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056151 725465820 /nfs/dbraw/zinc/46/58/20/725465820.db2.gz DSMRPQREGXMISS-PBHICJAKSA-N 1 3 330.476 2.502 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066631 725477592 /nfs/dbraw/zinc/47/75/92/725477592.db2.gz KUHSAMZCPLDCLO-WMLDXEAASA-N 1 3 332.492 2.748 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC1 ZINC000992147828 725563917 /nfs/dbraw/zinc/56/39/17/725563917.db2.gz WSWAGJHAOQLYJU-PKOBYXMFSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255831 725613966 /nfs/dbraw/zinc/61/39/66/725613966.db2.gz QVSKGEBQIKLTGI-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CN1CCCC1 ZINC000987515508 725732066 /nfs/dbraw/zinc/73/20/66/725732066.db2.gz BJKLYSWJZNZNND-GXTWGEPZSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)c1 ZINC000987516088 725732112 /nfs/dbraw/zinc/73/21/12/725732112.db2.gz CLAOVGQTQBOJHQ-QUCCMNQESA-N 1 3 343.515 2.787 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CN1CCCC1 ZINC000987526758 725735395 /nfs/dbraw/zinc/73/53/95/725735395.db2.gz RWNSVHBPPHAJAS-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987527924 725736060 /nfs/dbraw/zinc/73/60/60/725736060.db2.gz XSVXVYBOMYORNN-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987522074 725738448 /nfs/dbraw/zinc/73/84/48/725738448.db2.gz FCCPRQLIJBBUFF-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CN1CCCC1 ZINC000987533774 725741384 /nfs/dbraw/zinc/74/13/84/725741384.db2.gz TXFYEUKWEHWOPF-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCC3)[C@@H]2C1)C1CCC1 ZINC000992708612 726127067 /nfs/dbraw/zinc/12/70/67/726127067.db2.gz IAMUHUZQKGGBDF-DFQSSKMNSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)CCCC[NH+]2CCCC2)o1 ZINC000729348338 726319020 /nfs/dbraw/zinc/31/90/20/726319020.db2.gz XUJJJKIFFZDOEO-UHFFFAOYSA-N 1 3 335.492 2.744 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992923900 726340946 /nfs/dbraw/zinc/34/09/46/726340946.db2.gz IZHQSXXRMACIAX-VAMGGRTRSA-N 1 3 343.515 2.987 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)cc2)CC1 ZINC000915058392 726854704 /nfs/dbraw/zinc/85/47/04/726854704.db2.gz WUSMMKSMNFYZIW-KRWDZBQOSA-N 1 3 346.519 2.743 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(C)C)cc2)CC1 ZINC000915058392 726854707 /nfs/dbraw/zinc/85/47/07/726854707.db2.gz WUSMMKSMNFYZIW-KRWDZBQOSA-N 1 3 346.519 2.743 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084041 726864251 /nfs/dbraw/zinc/86/42/51/726864251.db2.gz LSWRRLORJNCYNA-FUHWJXTLSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084041 726864253 /nfs/dbraw/zinc/86/42/53/726864253.db2.gz LSWRRLORJNCYNA-FUHWJXTLSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084043 726864272 /nfs/dbraw/zinc/86/42/72/726864272.db2.gz LSWRRLORJNCYNA-WMZOPIPTSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084043 726864275 /nfs/dbraw/zinc/86/42/75/726864275.db2.gz LSWRRLORJNCYNA-WMZOPIPTSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1 ZINC000993765972 727517629 /nfs/dbraw/zinc/51/76/29/727517629.db2.gz WPWXJNSPESVTOA-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cc1 ZINC000993765969 727517643 /nfs/dbraw/zinc/51/76/43/727517643.db2.gz WPWXJNSPESVTOA-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC000994082694 727593931 /nfs/dbraw/zinc/59/39/31/727593931.db2.gz RGUYMXWFXMXAQV-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO CC1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC000994082694 727593932 /nfs/dbraw/zinc/59/39/32/727593932.db2.gz RGUYMXWFXMXAQV-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000911952066 727624369 /nfs/dbraw/zinc/62/43/69/727624369.db2.gz LZZFEIXVAQCPRO-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000733163464 727708617 /nfs/dbraw/zinc/70/86/17/727708617.db2.gz FXFVHIVZZKBYKE-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000733163462 727708663 /nfs/dbraw/zinc/70/86/63/727708663.db2.gz FXFVHIVZZKBYKE-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912881173 727754309 /nfs/dbraw/zinc/75/43/09/727754309.db2.gz QFNWAGKLTLYFMV-UHFFFAOYSA-N 1 3 327.472 2.593 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000994464469 727761033 /nfs/dbraw/zinc/76/10/33/727761033.db2.gz NWKUAPIKMOSSBO-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CC1CC1 ZINC000994464469 727761035 /nfs/dbraw/zinc/76/10/35/727761035.db2.gz NWKUAPIKMOSSBO-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000913099269 727781517 /nfs/dbraw/zinc/78/15/17/727781517.db2.gz LTMBDOICHZJVNQ-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)cc1CN1CCCCC1 ZINC000183204763 727994337 /nfs/dbraw/zinc/99/43/37/727994337.db2.gz ZRELCYFDKIXXQY-HNNXBMFYSA-N 1 3 347.503 2.843 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000948369284 728142936 /nfs/dbraw/zinc/14/29/36/728142936.db2.gz YWGCSZGXZLSBFR-HYMNUWHNSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000948369284 728142940 /nfs/dbraw/zinc/14/29/40/728142940.db2.gz YWGCSZGXZLSBFR-HYMNUWHNSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976821 728170850 /nfs/dbraw/zinc/17/08/50/728170850.db2.gz SXKHORAWKPDCKP-JXFKEZNVSA-N 1 3 343.515 2.556 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976821 728170851 /nfs/dbraw/zinc/17/08/51/728170851.db2.gz SXKHORAWKPDCKP-JXFKEZNVSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000995181364 728185039 /nfs/dbraw/zinc/18/50/39/728185039.db2.gz HCODMIFUSZBRTL-SJLPKXTDSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C)N1CCCCC1 ZINC000940744339 728229509 /nfs/dbraw/zinc/22/95/09/728229509.db2.gz JGZSHSYXICEWNK-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C)N1CCCCC1 ZINC000940744339 728229510 /nfs/dbraw/zinc/22/95/10/728229510.db2.gz JGZSHSYXICEWNK-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)cc1CN1CCCCC1 ZINC000182708554 728323053 /nfs/dbraw/zinc/32/30/53/728323053.db2.gz ULKGIPVFJLSDEE-INIZCTEOSA-N 1 3 347.503 2.810 20 0 EFADHO C[C@@H](F)CCN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918694 728358387 /nfs/dbraw/zinc/35/83/87/728358387.db2.gz SITKTAVBCDKCEF-CRAIPNDOSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](F)CCN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918694 728358388 /nfs/dbraw/zinc/35/83/88/728358388.db2.gz SITKTAVBCDKCEF-CRAIPNDOSA-N 1 3 339.499 2.580 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3cccc(C)c3)C2)C1 ZINC001031918938 728360043 /nfs/dbraw/zinc/36/00/43/728360043.db2.gz XFSDOQUTMSEJLR-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3cccc(C)c3)C2)C1 ZINC001031918938 728360047 /nfs/dbraw/zinc/36/00/47/728360047.db2.gz XFSDOQUTMSEJLR-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031919351 728363352 /nfs/dbraw/zinc/36/33/52/728363352.db2.gz SYJUIOZRUTZQMI-XLIONFOSSA-N 1 3 343.515 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031919351 728363357 /nfs/dbraw/zinc/36/33/57/728363357.db2.gz SYJUIOZRUTZQMI-XLIONFOSSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770593 728377254 /nfs/dbraw/zinc/37/72/54/728377254.db2.gz JPLQJIYWYVVGQW-DLBZAZTESA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770593 728377255 /nfs/dbraw/zinc/37/72/55/728377255.db2.gz JPLQJIYWYVVGQW-DLBZAZTESA-N 1 3 341.515 2.779 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=S)NC2CCN(C)CC2)cc1 ZINC000063145505 728613558 /nfs/dbraw/zinc/61/35/58/728613558.db2.gz YYHWDWVAIOKVTR-UHFFFAOYSA-N 1 3 348.560 2.587 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)NC1CCN(C)CC1 ZINC000063148632 728614043 /nfs/dbraw/zinc/61/40/43/728614043.db2.gz VZTHUDYLXYFCPE-UHFFFAOYSA-N 1 3 348.560 2.585 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=S)NC1CCN(C)CC1 ZINC000063148632 728614044 /nfs/dbraw/zinc/61/40/44/728614044.db2.gz VZTHUDYLXYFCPE-UHFFFAOYSA-N 1 3 348.560 2.585 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=S)NC1CCN(C)CC1 ZINC000920307007 729169958 /nfs/dbraw/zinc/16/99/58/729169958.db2.gz DLCDMNNIVSWJAR-UHFFFAOYSA-N 1 3 348.560 2.587 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000920308196 729169975 /nfs/dbraw/zinc/16/99/75/729169975.db2.gz WHRMCUTUJQXKIP-GOSISDBHSA-N 1 3 348.560 2.628 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665565 729198939 /nfs/dbraw/zinc/19/89/39/729198939.db2.gz AOTRZMKFEXFKPI-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665565 729198941 /nfs/dbraw/zinc/19/89/41/729198941.db2.gz AOTRZMKFEXFKPI-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031665601 729199011 /nfs/dbraw/zinc/19/90/11/729199011.db2.gz BGYHXJDTJBBALU-IBGZPJMESA-N 1 3 347.547 2.878 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000921269230 729282459 /nfs/dbraw/zinc/28/24/59/729282459.db2.gz RAMWQUBVSFVMBW-QZTJIDSGSA-N 1 3 348.560 2.546 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000921269230 729282462 /nfs/dbraw/zinc/28/24/62/729282462.db2.gz RAMWQUBVSFVMBW-QZTJIDSGSA-N 1 3 348.560 2.546 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001031712311 729493843 /nfs/dbraw/zinc/49/38/43/729493843.db2.gz VXDSQVOUZCGLCD-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001031712311 729493844 /nfs/dbraw/zinc/49/38/44/729493844.db2.gz VXDSQVOUZCGLCD-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001570000514 1085841608 /nfs/dbraw/zinc/84/16/08/1085841608.db2.gz OSTGKZVJPXDLQW-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503868 1087803021 /nfs/dbraw/zinc/80/30/21/1087803021.db2.gz MCGMPAAWOGHUSP-FYQPLNBISA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503868 1087803035 /nfs/dbraw/zinc/80/30/35/1087803035.db2.gz MCGMPAAWOGHUSP-FYQPLNBISA-N 1 3 343.515 2.777 20 0 EFADHO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC001646540601 1087854319 /nfs/dbraw/zinc/85/43/19/1087854319.db2.gz MYEGKWSMBCRPPS-RWQQGDIJSA-N 1 3 346.519 2.837 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC001646746105 1088206928 /nfs/dbraw/zinc/20/69/28/1088206928.db2.gz JVROEKFBORUXGR-OALUTQOASA-N 1 3 325.456 2.829 20 0 EFADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@@H]1CCNCC1(C)C ZINC001575040951 1088210568 /nfs/dbraw/zinc/21/05/68/1088210568.db2.gz JXRBLEHNYSPBDI-QGZVFWFLSA-N 1 3 331.460 2.586 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001646751090 1088212731 /nfs/dbraw/zinc/21/27/31/1088212731.db2.gz ZDUABSWNICHDFP-UHFFFAOYSA-N 1 3 343.446 2.531 20 0 EFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@H](C[NH3+])C1CCCC1 ZINC001575170770 1088286990 /nfs/dbraw/zinc/28/69/90/1088286990.db2.gz VHZKBPDQEKAOER-UONOGXRCSA-N 1 3 347.450 2.738 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCCN1Cc1cccc2c1CC[NH2+]C2 ZINC001575225732 1088318132 /nfs/dbraw/zinc/31/81/32/1088318132.db2.gz FWVUFVZDQCMPRB-QGZVFWFLSA-N 1 3 345.487 2.821 20 0 EFADHO CC(C)(CN)C[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001575314950 1088387985 /nfs/dbraw/zinc/38/79/85/1088387985.db2.gz FLHXLVGIJGCTHX-CYBMUJFWSA-N 1 3 334.414 2.718 20 0 EFADHO CC(C)[C@H](NCc1cc(C2C[NH2+]C2)no1)[C@H](O)c1ccc(Cl)cc1 ZINC001575472453 1088490742 /nfs/dbraw/zinc/49/07/42/1088490742.db2.gz MZJNHAREIJNWCT-ZWKOTPCHSA-N 1 3 349.862 2.863 20 0 EFADHO CC(C)C[NH2+]CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001575604678 1088583587 /nfs/dbraw/zinc/58/35/87/1088583587.db2.gz YLYMYGSRIFDOKZ-OAHLLOKOSA-N 1 3 345.409 2.670 20 0 EFADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC001575631871 1088603007 /nfs/dbraw/zinc/60/30/07/1088603007.db2.gz XHOIXFFERXZTSH-QGZVFWFLSA-N 1 3 349.544 2.980 20 0 EFADHO CC(C)[N@@H+](Cc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC001575690395 1088633595 /nfs/dbraw/zinc/63/35/95/1088633595.db2.gz VCEBZTBBLIIQNZ-PMACEKPBSA-N 1 3 330.447 2.967 20 0 EFADHO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC001575690395 1088633600 /nfs/dbraw/zinc/63/36/00/1088633600.db2.gz VCEBZTBBLIIQNZ-PMACEKPBSA-N 1 3 330.447 2.967 20 0 EFADHO C[C@@H](CCC[NH3+])NCc1ccc(F)cc1I ZINC001575951802 1088799347 /nfs/dbraw/zinc/79/93/47/1088799347.db2.gz HZSWVCKLULKWAV-VIFPVBQESA-N 1 3 336.192 2.647 20 0 EFADHO C[C@@H](CNCc1ccc(N2CC[NH2+]CC2)o1)Oc1ccccc1Cl ZINC001576033777 1088869996 /nfs/dbraw/zinc/86/99/96/1088869996.db2.gz VYRDTQRGWRQQRK-AWEZNQCLSA-N 1 3 349.862 2.900 20 0 EFADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(N)CCOCC1 ZINC001576040654 1088874036 /nfs/dbraw/zinc/87/40/36/1088874036.db2.gz KQULLJGZNPLSAR-NSHDSACASA-N 1 3 333.259 2.858 20 0 EFADHO CCN1CCC[C@H](C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)C1 ZINC001647135904 1088974849 /nfs/dbraw/zinc/97/48/49/1088974849.db2.gz JADRFYFOLHOLOE-HZPDHXFCSA-N 1 3 334.460 2.621 20 0 EFADHO CCN1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)C1 ZINC001647135907 1088975665 /nfs/dbraw/zinc/97/56/65/1088975665.db2.gz JADRFYFOLHOLOE-JKSUJKDBSA-N 1 3 334.460 2.621 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC001576239484 1089036601 /nfs/dbraw/zinc/03/66/01/1089036601.db2.gz NUATTYYCNZCYMJ-YHUYYLMFSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H](NCc1cccc(C[NH3+])c1)c1ccc(N2CCCNC2=O)cc1 ZINC001576250794 1089042085 /nfs/dbraw/zinc/04/20/85/1089042085.db2.gz JFFYTSVASGHFPO-OAHLLOKOSA-N 1 3 338.455 2.916 20 0 EFADHO CC1(C)[C@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001576382794 1089166767 /nfs/dbraw/zinc/16/67/67/1089166767.db2.gz DPDYAPAFXAJVOH-WNRNVDISSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@]1(c2cccc(F)c2)CCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001576559587 1089329871 /nfs/dbraw/zinc/32/98/71/1089329871.db2.gz BVEZXEWUXQISSH-HXUWFJFHSA-N 1 3 343.446 2.992 20 0 EFADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576600205 1089348408 /nfs/dbraw/zinc/34/84/08/1089348408.db2.gz YYSPNIRHGYQUDN-LTIDMASMSA-N 1 3 339.524 2.857 20 0 EFADHO C[C@H]1CC[C@H](NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C[NH2+]1 ZINC001576671065 1089387570 /nfs/dbraw/zinc/38/75/70/1089387570.db2.gz PVSNCJGOPMECOX-YIOZNXECSA-N 1 3 337.508 2.896 20 0 EFADHO O[C@H](CN1CCCC2(CC[NH2+]CC2)C1)c1ccc(F)cc1Cl ZINC001647435683 1089407124 /nfs/dbraw/zinc/40/71/24/1089407124.db2.gz NMINCGZSUGIFFM-MRXNPFEDSA-N 1 3 326.843 2.978 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+][C@@H]1CNCC1(C)C ZINC001576723017 1089418960 /nfs/dbraw/zinc/41/89/60/1089418960.db2.gz DGPWQCDHXVKLJG-RBSFLKMASA-N 1 3 325.497 2.610 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c2ccccc2)CC1 ZINC001576729644 1089423087 /nfs/dbraw/zinc/42/30/87/1089423087.db2.gz UIPUIZVSSXFWEZ-MOPGFXCFSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001576752664 1089438574 /nfs/dbraw/zinc/43/85/74/1089438574.db2.gz JMZJYWLNRHMRBC-QLFBSQMISA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC001576808856 1089469824 /nfs/dbraw/zinc/46/98/24/1089469824.db2.gz KBINKGYPNGQRSD-SLYNCCJLSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001576971956 1089555474 /nfs/dbraw/zinc/55/54/74/1089555474.db2.gz SNLKLRKJFCIHQX-YTQUADARSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001576971956 1089555489 /nfs/dbraw/zinc/55/54/89/1089555489.db2.gz SNLKLRKJFCIHQX-YTQUADARSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccco1 ZINC001577004453 1089577120 /nfs/dbraw/zinc/57/71/20/1089577120.db2.gz VDUWIULWVKFPRC-HRCADAONSA-N 1 3 336.480 2.540 20 0 EFADHO CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001577176341 1089722348 /nfs/dbraw/zinc/72/23/48/1089722348.db2.gz ZIJJJPBNTYNXRF-VYDXJSESSA-N 1 3 337.418 2.527 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC001577280116 1089795029 /nfs/dbraw/zinc/79/50/29/1089795029.db2.gz XSXVHVHRNZTBAE-HKUYNNGSSA-N 1 3 329.488 2.872 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC001577495690 1090010772 /nfs/dbraw/zinc/01/07/72/1090010772.db2.gz WTYKKXALRHREAX-KBRIMQKVSA-N 1 3 337.895 2.837 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC001577495691 1090011083 /nfs/dbraw/zinc/01/10/83/1090011083.db2.gz WTYKKXALRHREAX-RRQGHBQHSA-N 1 3 337.895 2.837 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccnc([C@H]2CCCN2)n1 ZINC001577516110 1090027926 /nfs/dbraw/zinc/02/79/26/1090027926.db2.gz CSRSKLXDPBGOKN-OAHLLOKOSA-N 1 3 348.495 2.535 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccnc([C@@H]2CCCN2)n1 ZINC001577516109 1090028385 /nfs/dbraw/zinc/02/83/85/1090028385.db2.gz CSRSKLXDPBGOKN-HNNXBMFYSA-N 1 3 348.495 2.535 20 0 EFADHO CCCN(Cc1c(C[NH3+])cnn1C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001577523936 1090034467 /nfs/dbraw/zinc/03/44/67/1090034467.db2.gz MYHIFKDTOLPPBC-ZWKOTPCHSA-N 1 3 334.508 2.829 20 0 EFADHO CC[N@H+](CCCC(=O)Nc1ccccc1C(C)=O)C1CCNCC1 ZINC001577713070 1090143675 /nfs/dbraw/zinc/14/36/75/1090143675.db2.gz KYMOYBKQPIZJMF-UHFFFAOYSA-N 1 3 331.460 2.682 20 0 EFADHO CC[N@@H+](CCCC(=O)Nc1ccccc1C(C)=O)C1CCNCC1 ZINC001577713070 1090143680 /nfs/dbraw/zinc/14/36/80/1090143680.db2.gz KYMOYBKQPIZJMF-UHFFFAOYSA-N 1 3 331.460 2.682 20 0 EFADHO CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](CC(C)C)[NH2+]C ZINC001577770873 1090175673 /nfs/dbraw/zinc/17/56/73/1090175673.db2.gz PCHNKVOZYYJADH-MOPGFXCFSA-N 1 3 346.519 2.529 20 0 EFADHO CCOC(=O)[C@](C)(CN[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC001577905143 1090210516 /nfs/dbraw/zinc/21/05/16/1090210516.db2.gz HVDBVSBXXJZLMD-FXAWDEMLSA-N 1 3 332.488 2.875 20 0 EFADHO CCOC(=O)c1ccc(CN[C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)o1 ZINC001578058832 1090241146 /nfs/dbraw/zinc/24/11/46/1090241146.db2.gz AVHGMXRAIGBCNQ-GLRZTSSQSA-N 1 3 328.412 2.605 20 0 EFADHO CN(C[C@H]1CCCC[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578452805 1090375140 /nfs/dbraw/zinc/37/51/40/1090375140.db2.gz VZPOTDDAPULVSM-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO CN(CCC1CCN(C[C@@]23C[C@@H]2C[NH2+]C3)CC1)C(=O)OC(C)(C)C ZINC001578463709 1090378574 /nfs/dbraw/zinc/37/85/74/1090378574.db2.gz ODRIAFHPGIXXJI-APWZRJJASA-N 1 3 337.508 2.565 20 0 EFADHO CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCN(C)C1 ZINC001578528484 1090391851 /nfs/dbraw/zinc/39/18/51/1090391851.db2.gz HBMSSKGTAKPDST-RBUKOAKNSA-N 1 3 340.471 2.575 20 0 EFADHO CNC(=O)c1ccc(CN(Cc2cccc3c2CC[NH2+]C3)C2CC2)cc1 ZINC001578562336 1090397466 /nfs/dbraw/zinc/39/74/66/1090397466.db2.gz CVGPOLDWOVLNQP-UHFFFAOYSA-N 1 3 349.478 2.857 20 0 EFADHO C[NH2+]CCOCCN(C)Cc1c(-c2ccccc2)nc2sccn12 ZINC001578707714 1090423695 /nfs/dbraw/zinc/42/36/95/1090423695.db2.gz MTFCENKKKWYFLR-UHFFFAOYSA-N 1 3 344.484 2.731 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC001578716598 1090425502 /nfs/dbraw/zinc/42/55/02/1090425502.db2.gz RJPMWGMJNJEWMY-UZLBHIALSA-N 1 3 339.483 2.870 20 0 EFADHO COC[C@@]1(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CCCCN1 ZINC001578978219 1090493458 /nfs/dbraw/zinc/49/34/58/1090493458.db2.gz OYWOUXQXENPRIG-HXUWFJFHSA-N 1 3 345.487 2.688 20 0 EFADHO COCCN(CCC(=O)OC(C)(C)C)Cc1cccc2c1CC[NH2+]C2 ZINC001579026375 1090500372 /nfs/dbraw/zinc/50/03/72/1090500372.db2.gz SAZPCZFXNPUFLI-UHFFFAOYSA-N 1 3 348.487 2.513 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C[C@H]2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001579388438 1090602350 /nfs/dbraw/zinc/60/23/50/1090602350.db2.gz ZVMLVGYQDXNKGD-YSVLISHTSA-N 1 3 335.517 2.645 20 0 EFADHO C[C@@H]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H]1CCC[NH3+] ZINC001579420985 1090609055 /nfs/dbraw/zinc/60/90/55/1090609055.db2.gz QUVCKLQDVHLEEI-BPQIPLTHSA-N 1 3 336.524 2.552 20 0 EFADHO C[C@@H]1C[N@H+](C[C@]2(C)CCCNC2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001579440089 1090613140 /nfs/dbraw/zinc/61/31/40/1090613140.db2.gz ODCXDLYMOCYPQF-GPMSIDNRSA-N 1 3 339.524 2.859 20 0 EFADHO C[C@@H]1C[N@@H+](C[C@]2(C)CCCNC2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001579440089 1090613144 /nfs/dbraw/zinc/61/31/44/1090613144.db2.gz ODCXDLYMOCYPQF-GPMSIDNRSA-N 1 3 339.524 2.859 20 0 EFADHO Cc1c([O-])ccc2c(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc12 ZINC001579541505 1090630021 /nfs/dbraw/zinc/63/00/21/1090630021.db2.gz ZTAUKTAXRAUQNT-UHFFFAOYSA-N 1 3 342.439 2.773 20 0 EFADHO Cc1c([O-])ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc(=O)oc12 ZINC001579541505 1090630023 /nfs/dbraw/zinc/63/00/23/1090630023.db2.gz ZTAUKTAXRAUQNT-UHFFFAOYSA-N 1 3 342.439 2.773 20 0 EFADHO Cc1ccc(C[N@H+](CC(C)C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC001579691032 1090663036 /nfs/dbraw/zinc/66/30/36/1090663036.db2.gz IJRYMUYONXZWMB-IBGZPJMESA-N 1 3 345.531 2.959 20 0 EFADHO Cc1ccc(C[N@@H+](CC(C)C)C[C@@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC001579691032 1090663038 /nfs/dbraw/zinc/66/30/38/1090663038.db2.gz IJRYMUYONXZWMB-IBGZPJMESA-N 1 3 345.531 2.959 20 0 EFADHO Cc1ccc(NC(=O)c2cnc(C3CC[NH2+]CC3)o2)c(CN(C)C)c1 ZINC001579722955 1090671370 /nfs/dbraw/zinc/67/13/70/1090671370.db2.gz PTRAMLBJLPKDQT-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO Cc1cn2c(CNCc3cccc4c3CC[NH2+]C4)c(C)nc2s1 ZINC001579819193 1090696052 /nfs/dbraw/zinc/69/60/52/1090696052.db2.gz OUCVYYXIJFOFJF-UHFFFAOYSA-N 1 3 326.469 2.948 20 0 EFADHO [NH3+][C@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)CC(F)F ZINC001580131435 1090783823 /nfs/dbraw/zinc/78/38/23/1090783823.db2.gz DRCCNDWJWDBMKP-AWEZNQCLSA-N 1 3 331.838 2.877 20 0 EFADHO [NH3+][C@H](CN[C@H]1CCc2nc(-c3ccccc3)ncc2C1)CC(F)F ZINC001580131206 1090784069 /nfs/dbraw/zinc/78/40/69/1090784069.db2.gz BHDXPOVZJHHLIZ-GJZGRUSLSA-N 1 3 332.398 2.573 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3CCN3C3CCCC3)cc21 ZINC001580264317 1090840877 /nfs/dbraw/zinc/84/08/77/1090840877.db2.gz LZMDKBCKFWWFDP-MJGOQNOKSA-N 1 3 341.499 2.812 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](CNCc2nnn(-c3ccccc3)c2C2CC2)CC1 ZINC001580331551 1090864771 /nfs/dbraw/zinc/86/47/71/1090864771.db2.gz PUQRHTBKJLWPJD-WKILWMFISA-N 1 3 339.487 2.999 20 0 EFADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)c1cccc(CN2CCCCC2)c1 ZINC001580614194 1090967769 /nfs/dbraw/zinc/96/77/69/1090967769.db2.gz ZMSUCPKUIXMIDX-GOSISDBHSA-N 1 3 327.472 2.687 20 0 EFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580654382 1090977845 /nfs/dbraw/zinc/97/78/45/1090977845.db2.gz IRGBJTQGJOTCSY-RTBURBONSA-N 1 3 341.499 2.547 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccc2c(c1)CNC2 ZINC001580661039 1090978656 /nfs/dbraw/zinc/97/86/56/1090978656.db2.gz LMWOGUHWNZVUNJ-LJQANCHMSA-N 1 3 327.472 2.817 20 0 EFADHO O=C(NC[C@H]1CC[N@H+]1C1CCCCCC1)c1ccc2c(c1)CNC2 ZINC001580661039 1090978661 /nfs/dbraw/zinc/97/86/61/1090978661.db2.gz LMWOGUHWNZVUNJ-LJQANCHMSA-N 1 3 327.472 2.817 20 0 EFADHO CN(CCNC(=O)CCC[NH+](C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001480908289 1092237473 /nfs/dbraw/zinc/23/74/73/1092237473.db2.gz TXSPGQPIASNLBN-UHFFFAOYSA-N 1 3 333.520 2.874 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000063914290 1092258147 /nfs/dbraw/zinc/25/81/47/1092258147.db2.gz RRYVBRSCEDGJTQ-HNNXBMFYSA-N 1 3 337.533 2.533 20 0 EFADHO Cc1nccn1-c1ccncc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001586300550 1092719558 /nfs/dbraw/zinc/71/95/58/1092719558.db2.gz QKAWIGZKUZZCMJ-UHFFFAOYSA-N 1 3 332.367 2.784 20 0 EFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649849596 1092737813 /nfs/dbraw/zinc/73/78/13/1092737813.db2.gz MSQCKFPWSXGLAS-QGZVFWFLSA-N 1 3 341.499 2.820 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001650075320 1092933096 /nfs/dbraw/zinc/93/30/96/1092933096.db2.gz IUPKHAPKUNHEPJ-SJLPKXTDSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453978 1093039552 /nfs/dbraw/zinc/03/95/52/1093039552.db2.gz HXAJVZHKRADQKQ-VQIMIIECSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453978 1093039556 /nfs/dbraw/zinc/03/95/56/1093039556.db2.gz HXAJVZHKRADQKQ-VQIMIIECSA-N 1 3 335.536 2.687 20 0 EFADHO CCOC(=O)c1cnc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1N(C)C ZINC001167624075 1093133686 /nfs/dbraw/zinc/13/36/86/1093133686.db2.gz LEYQGGPWDJZPFH-UHFFFAOYSA-N 1 3 348.491 2.809 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1ccccc1F ZINC001167626787 1093145993 /nfs/dbraw/zinc/14/59/93/1093145993.db2.gz HHRNYHSDHDJICW-LJQANCHMSA-N 1 3 349.494 2.727 20 0 EFADHO C[C@@H]([NH2+]C1(c2ccc(-c3nnn[n-]3)cc2)CCC1)C1CC[NH+](C)CC1 ZINC001589951480 1093189951 /nfs/dbraw/zinc/18/99/51/1093189951.db2.gz GHDQJSCZOQPADO-CQSZACIVSA-N 1 3 340.475 2.566 20 0 EFADHO C[C@@H]([NH2+]C1(c2ccc(-c3nn[n-]n3)cc2)CCC1)C1CC[NH+](C)CC1 ZINC001589951480 1093189957 /nfs/dbraw/zinc/18/99/57/1093189957.db2.gz GHDQJSCZOQPADO-CQSZACIVSA-N 1 3 340.475 2.566 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961763 1093197204 /nfs/dbraw/zinc/19/72/04/1093197204.db2.gz PIHZNJUQJWRXQH-HUUCEWRRSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961763 1093197207 /nfs/dbraw/zinc/19/72/07/1093197207.db2.gz PIHZNJUQJWRXQH-HUUCEWRRSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+](CCN(C)C)Cc1ccccc1 ZINC001204604109 1093276797 /nfs/dbraw/zinc/27/67/97/1093276797.db2.gz ASNZXKAJONFNRZ-NVXWUHKLSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001204604109 1093276803 /nfs/dbraw/zinc/27/68/03/1093276803.db2.gz ASNZXKAJONFNRZ-NVXWUHKLSA-N 1 3 325.447 2.541 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480926159 1093279982 /nfs/dbraw/zinc/27/99/82/1093279982.db2.gz MKHWKHMRUQIXFA-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461899 1093334556 /nfs/dbraw/zinc/33/45/56/1093334556.db2.gz VYUHGRYEFJHOQI-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461899 1093334562 /nfs/dbraw/zinc/33/45/62/1093334562.db2.gz VYUHGRYEFJHOQI-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590464776 1093434992 /nfs/dbraw/zinc/43/49/92/1093434992.db2.gz DTIHNDXUWQPQRO-SFHVURJKSA-N 1 3 340.475 2.782 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590464776 1093434996 /nfs/dbraw/zinc/43/49/96/1093434996.db2.gz DTIHNDXUWQPQRO-SFHVURJKSA-N 1 3 340.475 2.782 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465747 1093435794 /nfs/dbraw/zinc/43/57/94/1093435794.db2.gz IKIOHSKQWQFECO-PBHICJAKSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465747 1093435799 /nfs/dbraw/zinc/43/57/99/1093435799.db2.gz IKIOHSKQWQFECO-PBHICJAKSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465747 1093435807 /nfs/dbraw/zinc/43/58/07/1093435807.db2.gz IKIOHSKQWQFECO-PBHICJAKSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465747 1093435814 /nfs/dbraw/zinc/43/58/14/1093435814.db2.gz IKIOHSKQWQFECO-PBHICJAKSA-N 1 3 328.464 2.639 20 0 EFADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001087248707 1094326009 /nfs/dbraw/zinc/32/60/09/1094326009.db2.gz PLKPVQNDRVKPOX-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CCC1 ZINC001481096503 1094474926 /nfs/dbraw/zinc/47/49/26/1094474926.db2.gz VRPKVXUJBKGWLU-FUKWUPMWSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CCC1 ZINC001481096503 1094474931 /nfs/dbraw/zinc/47/49/31/1094474931.db2.gz VRPKVXUJBKGWLU-FUKWUPMWSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1)C1CCC1 ZINC001481096501 1094475250 /nfs/dbraw/zinc/47/52/50/1094475250.db2.gz VQTLJTFRQOJUCP-QBUQCISBSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)C1CCC1 ZINC001481096501 1094475258 /nfs/dbraw/zinc/47/52/58/1094475258.db2.gz VQTLJTFRQOJUCP-QBUQCISBSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679943 1094588363 /nfs/dbraw/zinc/58/83/63/1094588363.db2.gz NEWFIQVMKXJKHW-IPMKNSEASA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104683871 1094631510 /nfs/dbraw/zinc/63/15/10/1094631510.db2.gz RLYOLZSHLYTYTM-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104684070 1094632158 /nfs/dbraw/zinc/63/21/58/1094632158.db2.gz WQZSZFTWPCTDTR-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001104691663 1094645838 /nfs/dbraw/zinc/64/58/38/1094645838.db2.gz QPOOOCTUPLVBAU-RLLQIKCJSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1CC1CC[NH+](C)CC1 ZINC001207399606 1094725121 /nfs/dbraw/zinc/72/51/21/1094725121.db2.gz OVGXURDSFIHKJD-HUUCEWRRSA-N 1 3 325.497 2.658 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)CCC[NH+]2CCCCC2)c1 ZINC001480948272 1094727667 /nfs/dbraw/zinc/72/76/67/1094727667.db2.gz ZZZMFHZVDWGSSF-UHFFFAOYSA-N 1 3 331.504 2.809 20 0 EFADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529522 1094749002 /nfs/dbraw/zinc/74/90/02/1094749002.db2.gz DJCRNQWUVSCNNG-BJLQDIEVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728900 1094763707 /nfs/dbraw/zinc/76/37/07/1094763707.db2.gz GRBJAIKTDNPWTD-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104728905 1094764377 /nfs/dbraw/zinc/76/43/77/1094764377.db2.gz HCASMBGPIZOFLZ-NVXWUHKLSA-N 1 3 330.476 2.527 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529932 1094764429 /nfs/dbraw/zinc/76/44/29/1094764429.db2.gz VXNLTMYNUSYXCL-LDSQQPLRSA-N 1 3 347.547 2.903 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001481120283 1094769480 /nfs/dbraw/zinc/76/94/80/1094769480.db2.gz ZUJNDSCMFCSKGZ-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001481120283 1094769488 /nfs/dbraw/zinc/76/94/88/1094769488.db2.gz ZUJNDSCMFCSKGZ-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481503971 1094973398 /nfs/dbraw/zinc/97/33/98/1094973398.db2.gz JXXLRKQOIWJIQZ-ZWKOTPCHSA-N 1 3 325.541 2.789 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481503971 1094973406 /nfs/dbraw/zinc/97/34/06/1094973406.db2.gz JXXLRKQOIWJIQZ-ZWKOTPCHSA-N 1 3 325.541 2.789 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481509481 1095005735 /nfs/dbraw/zinc/00/57/35/1095005735.db2.gz QJIVHSQXZRSXBL-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001211695025 1095032452 /nfs/dbraw/zinc/03/24/52/1095032452.db2.gz GKQUOMZKCWVYRZ-YTQUADARSA-N 1 3 349.494 2.661 20 0 EFADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001112531616 1095089018 /nfs/dbraw/zinc/08/90/18/1095089018.db2.gz ICFSLQGZHSBZFK-PXNSSMCTSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)cc1C ZINC001481172525 1095116426 /nfs/dbraw/zinc/11/64/26/1095116426.db2.gz FGZFYWPZGDSOMB-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)cc1C ZINC001481172525 1095116442 /nfs/dbraw/zinc/11/64/42/1095116442.db2.gz FGZFYWPZGDSOMB-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(C)nc(C)n2)CC1 ZINC001167827875 1095234260 /nfs/dbraw/zinc/23/42/60/1095234260.db2.gz YUDAKOLRIKHGFU-KRWDZBQOSA-N 1 3 333.524 2.726 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cccc(OC)n2)CC1 ZINC001167833460 1095271068 /nfs/dbraw/zinc/27/10/68/1095271068.db2.gz BKNYJFHAUJSMNL-QGZVFWFLSA-N 1 3 334.508 2.723 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccnc(OC)c2)CC1 ZINC001167834446 1095295222 /nfs/dbraw/zinc/29/52/22/1095295222.db2.gz KDLKRXMBFDDSHE-QGZVFWFLSA-N 1 3 334.508 2.723 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(OC)ccn2)CC1 ZINC001167834928 1095305847 /nfs/dbraw/zinc/30/58/47/1095305847.db2.gz NWXNYJKSZFFFSC-QGZVFWFLSA-N 1 3 334.508 2.723 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001167835171 1095317597 /nfs/dbraw/zinc/31/75/97/1095317597.db2.gz FBIFRMAWDTVBEA-KRWDZBQOSA-N 1 3 331.504 2.966 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001167836013 1095335993 /nfs/dbraw/zinc/33/59/93/1095335993.db2.gz NQSHHRGBRQNACE-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(C(F)F)c1 ZINC001480965361 1095609837 /nfs/dbraw/zinc/60/98/37/1095609837.db2.gz NRKNTTNFDXLWTQ-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1cccc(C(F)F)c1 ZINC001480965361 1095609842 /nfs/dbraw/zinc/60/98/42/1095609842.db2.gz NRKNTTNFDXLWTQ-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104753421 1095675397 /nfs/dbraw/zinc/67/53/97/1095675397.db2.gz AJSPYRRPUKXKLD-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)c1cccc(F)c1 ZINC001480996463 1095711008 /nfs/dbraw/zinc/71/10/08/1095711008.db2.gz YCPAYCJWOOLQAA-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)ccc1C ZINC001481000221 1095725760 /nfs/dbraw/zinc/72/57/60/1095725760.db2.gz RVQOTTJVXPETRL-KRWDZBQOSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(C)ccc1C ZINC001481000221 1095725774 /nfs/dbraw/zinc/72/57/74/1095725774.db2.gz RVQOTTJVXPETRL-KRWDZBQOSA-N 1 3 331.504 2.583 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955687 1095752479 /nfs/dbraw/zinc/75/24/79/1095752479.db2.gz STCFSSODPIOQKG-PKOBYXMFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955687 1095752488 /nfs/dbraw/zinc/75/24/88/1095752488.db2.gz STCFSSODPIOQKG-PKOBYXMFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955335 1095753068 /nfs/dbraw/zinc/75/30/68/1095753068.db2.gz PLPNXXCFWBYHHZ-QGZVFWFLSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955335 1095753078 /nfs/dbraw/zinc/75/30/78/1095753078.db2.gz PLPNXXCFWBYHHZ-QGZVFWFLSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000981960735 1095819544 /nfs/dbraw/zinc/81/95/44/1095819544.db2.gz XRSIXGYQZYILRN-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000981960735 1095819563 /nfs/dbraw/zinc/81/95/63/1095819563.db2.gz XRSIXGYQZYILRN-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(C)c(F)c1 ZINC001481019382 1095880715 /nfs/dbraw/zinc/88/07/15/1095880715.db2.gz QRKISXOILOHNGS-UHFFFAOYSA-N 1 3 349.494 2.948 20 0 EFADHO CC[C@@H](C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481644990 1096146803 /nfs/dbraw/zinc/14/68/03/1096146803.db2.gz FELWHTBRKACFKV-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001481043992 1096146967 /nfs/dbraw/zinc/14/69/67/1096146967.db2.gz HVEPUNNLQXNHDS-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001481043992 1096146970 /nfs/dbraw/zinc/14/69/70/1096146970.db2.gz HVEPUNNLQXNHDS-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001481043991 1096147311 /nfs/dbraw/zinc/14/73/11/1096147311.db2.gz HVEPUNNLQXNHDS-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001481043991 1096147314 /nfs/dbraw/zinc/14/73/14/1096147314.db2.gz HVEPUNNLQXNHDS-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)NCC1CN([C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001481645723 1096154007 /nfs/dbraw/zinc/15/40/07/1096154007.db2.gz WFENUJUDJHYSTG-QFBILLFUSA-N 1 3 331.504 2.916 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001481653721 1096227921 /nfs/dbraw/zinc/22/79/21/1096227921.db2.gz VWQIWAIVISIKBU-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001481653721 1096227926 /nfs/dbraw/zinc/22/79/26/1096227926.db2.gz VWQIWAIVISIKBU-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001167900587 1096333109 /nfs/dbraw/zinc/33/31/09/1096333109.db2.gz LSUDBHSWXLGDDZ-UHFFFAOYSA-N 1 3 346.519 2.963 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167900982 1096342623 /nfs/dbraw/zinc/34/26/23/1096342623.db2.gz OSDPAQPPWJBAHG-UHFFFAOYSA-N 1 3 344.503 2.717 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167901753 1096363033 /nfs/dbraw/zinc/36/30/33/1096363033.db2.gz YXRYLMBNOKDVSR-UHFFFAOYSA-N 1 3 332.492 2.717 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481749429 1096527976 /nfs/dbraw/zinc/52/79/76/1096527976.db2.gz SOJADAVQJRQFCD-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481749429 1096527983 /nfs/dbraw/zinc/52/79/83/1096527983.db2.gz SOJADAVQJRQFCD-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001481818136 1096733926 /nfs/dbraw/zinc/73/39/26/1096733926.db2.gz FWIXMYCHEKTTNM-LBPRGKRZSA-N 1 3 343.924 2.870 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604285965 1096795985 /nfs/dbraw/zinc/79/59/85/1096795985.db2.gz UPYSTEGFLHUXGZ-CYBMUJFWSA-N 1 3 334.443 2.606 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604285965 1096795990 /nfs/dbraw/zinc/79/59/90/1096795990.db2.gz UPYSTEGFLHUXGZ-CYBMUJFWSA-N 1 3 334.443 2.606 20 0 EFADHO CN(CC(=O)NC1(C[NH2+]Cc2ccccc2F)CCCC1)C1CCC1 ZINC001481897540 1096889004 /nfs/dbraw/zinc/88/90/04/1096889004.db2.gz DZZCTFMWVXWWKP-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001481959886 1097007915 /nfs/dbraw/zinc/00/79/15/1097007915.db2.gz DDQSFFRCWVWCFA-XLIONFOSSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001481959886 1097007921 /nfs/dbraw/zinc/00/79/21/1097007921.db2.gz DDQSFFRCWVWCFA-XLIONFOSSA-N 1 3 346.519 2.578 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC=C(Cl)Cl)CC1 ZINC001482026021 1097107592 /nfs/dbraw/zinc/10/75/92/1097107592.db2.gz DJUZUGRCIMOESW-JOCQHMNTSA-N 1 3 336.307 2.664 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1 ZINC001482035548 1097136805 /nfs/dbraw/zinc/13/68/05/1097136805.db2.gz DMJPXRGSBBRGCV-LJQANCHMSA-N 1 3 331.504 2.923 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001605664277 1097184498 /nfs/dbraw/zinc/18/44/98/1097184498.db2.gz XIQKIYOHBNJRCF-OAHLLOKOSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001605664277 1097184500 /nfs/dbraw/zinc/18/45/00/1097184500.db2.gz XIQKIYOHBNJRCF-OAHLLOKOSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001605664277 1097184502 /nfs/dbraw/zinc/18/45/02/1097184502.db2.gz XIQKIYOHBNJRCF-OAHLLOKOSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001605664277 1097184503 /nfs/dbraw/zinc/18/45/03/1097184503.db2.gz XIQKIYOHBNJRCF-OAHLLOKOSA-N 1 3 342.491 2.777 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001482101973 1097263235 /nfs/dbraw/zinc/26/32/35/1097263235.db2.gz QDXLRGMUOCEHTN-CQSZACIVSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cccc(Cl)c1 ZINC001482106612 1097267845 /nfs/dbraw/zinc/26/78/45/1097267845.db2.gz AZSSFRLBLSQDTQ-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001482162434 1097418541 /nfs/dbraw/zinc/41/85/41/1097418541.db2.gz ARPWDNPVEJEWKN-JTQLQIEISA-N 1 3 340.880 2.518 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH+](C)CC1 ZINC001609123764 1098156198 /nfs/dbraw/zinc/15/61/98/1098156198.db2.gz LXCFLVQRZAPSGD-ACJLOTCBSA-N 1 3 340.475 2.564 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH+](C)CC1 ZINC001609123764 1098156203 /nfs/dbraw/zinc/15/62/03/1098156203.db2.gz LXCFLVQRZAPSGD-ACJLOTCBSA-N 1 3 340.475 2.564 20 0 EFADHO Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1-c1nnn[n-]1 ZINC001609400554 1098289316 /nfs/dbraw/zinc/28/93/16/1098289316.db2.gz VIPJIZZYMGKHGH-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1-c1nnn[n-]1 ZINC001609400554 1098289320 /nfs/dbraw/zinc/28/93/20/1098289320.db2.gz VIPJIZZYMGKHGH-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)ccc1-c1nn[n-]n1 ZINC001609400554 1098289325 /nfs/dbraw/zinc/28/93/25/1098289325.db2.gz VIPJIZZYMGKHGH-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)ccc1-c1nn[n-]n1 ZINC001609400554 1098289327 /nfs/dbraw/zinc/28/93/27/1098289327.db2.gz VIPJIZZYMGKHGH-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494357 1098700769 /nfs/dbraw/zinc/70/07/69/1098700769.db2.gz LNWRUDFHJVPWRG-QRVBRYPASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001267969997 1098983713 /nfs/dbraw/zinc/98/37/13/1098983713.db2.gz PHDSEBLDHMCZOW-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](NCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001481319714 1099277443 /nfs/dbraw/zinc/27/74/43/1099277443.db2.gz KWZAMHNGHQHVPQ-INIZCTEOSA-N 1 3 335.467 2.811 20 0 EFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001105064324 1099526193 /nfs/dbraw/zinc/52/61/93/1099526193.db2.gz JORAHNUAMNPKTE-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001105064156 1099526886 /nfs/dbraw/zinc/52/68/86/1099526886.db2.gz ABWPPZOXHHHJBV-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482326021 1099568514 /nfs/dbraw/zinc/56/85/14/1099568514.db2.gz OKVLEMHPRMRVSA-LBPRGKRZSA-N 1 3 343.924 2.680 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1c1ccccc1 ZINC001211673345 1099604480 /nfs/dbraw/zinc/60/44/80/1099604480.db2.gz DFYXDEXHBZUFKD-YZGWKJHDSA-N 1 3 343.515 2.855 20 0 EFADHO COC[C@@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988929 1099662410 /nfs/dbraw/zinc/66/24/10/1099662410.db2.gz QETZSAAFBGXUNW-CADMSHOASA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988929 1099662412 /nfs/dbraw/zinc/66/24/12/1099662412.db2.gz QETZSAAFBGXUNW-CADMSHOASA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988929 1099662414 /nfs/dbraw/zinc/66/24/14/1099662414.db2.gz QETZSAAFBGXUNW-CADMSHOASA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988929 1099662416 /nfs/dbraw/zinc/66/24/16/1099662416.db2.gz QETZSAAFBGXUNW-CADMSHOASA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988932 1099662483 /nfs/dbraw/zinc/66/24/83/1099662483.db2.gz QETZSAAFBGXUNW-SPYJTGKRSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988932 1099662485 /nfs/dbraw/zinc/66/24/85/1099662485.db2.gz QETZSAAFBGXUNW-SPYJTGKRSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988932 1099662491 /nfs/dbraw/zinc/66/24/91/1099662491.db2.gz QETZSAAFBGXUNW-SPYJTGKRSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988932 1099662494 /nfs/dbraw/zinc/66/24/94/1099662494.db2.gz QETZSAAFBGXUNW-SPYJTGKRSA-N 1 3 348.531 2.909 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)CCC1 ZINC001481435295 1099798711 /nfs/dbraw/zinc/79/87/11/1099798711.db2.gz LKPCRUZTHIKOHS-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)CCC1 ZINC001481435295 1099798721 /nfs/dbraw/zinc/79/87/21/1099798721.db2.gz LKPCRUZTHIKOHS-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001075785036 1099853546 /nfs/dbraw/zinc/85/35/46/1099853546.db2.gz PEKJNPDALCWHQN-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001075785036 1099853553 /nfs/dbraw/zinc/85/35/53/1099853553.db2.gz PEKJNPDALCWHQN-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1N1CCCC1 ZINC001168005542 1100109872 /nfs/dbraw/zinc/10/98/72/1100109872.db2.gz JJOZRWTYMCHGJL-WSCSCYJOSA-N 1 3 335.511 2.900 20 0 EFADHO F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1N1CCCC1 ZINC001168005542 1100109879 /nfs/dbraw/zinc/10/98/79/1100109879.db2.gz JJOZRWTYMCHGJL-WSCSCYJOSA-N 1 3 335.511 2.900 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1Cl ZINC001087522953 1100161523 /nfs/dbraw/zinc/16/15/23/1100161523.db2.gz DBSJNMCOCHWGOE-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1Cl ZINC001087522953 1100161530 /nfs/dbraw/zinc/16/15/30/1100161530.db2.gz DBSJNMCOCHWGOE-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1Cl ZINC001087522953 1100161534 /nfs/dbraw/zinc/16/15/34/1100161534.db2.gz DBSJNMCOCHWGOE-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1Cc1ccccc1Cl ZINC001087522953 1100161537 /nfs/dbraw/zinc/16/15/37/1100161537.db2.gz DBSJNMCOCHWGOE-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO C[N@@H+]1CCCC2(CCN(C(=O)[C@H]3CCN3C3CCCCC3)CC2)C1 ZINC001270916351 1100263228 /nfs/dbraw/zinc/26/32/28/1100263228.db2.gz RDCZZIJTYISOGH-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCCC2(CCN(C(=O)[C@H]3CCN3C3CCCCC3)CC2)C1 ZINC001270916351 1100263241 /nfs/dbraw/zinc/26/32/41/1100263241.db2.gz RDCZZIJTYISOGH-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915800 1100264183 /nfs/dbraw/zinc/26/41/83/1100264183.db2.gz IADHVGUTMFYHMB-UYAOXDASSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915800 1100264190 /nfs/dbraw/zinc/26/41/90/1100264190.db2.gz IADHVGUTMFYHMB-UYAOXDASSA-N 1 3 333.520 2.728 20 0 EFADHO COC(=O)[C@H]1C[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014067 1100415160 /nfs/dbraw/zinc/41/51/60/1100415160.db2.gz JKHXXAINJCKRNF-MRHSLFKSSA-N 1 3 330.472 2.969 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105394457 1100417572 /nfs/dbraw/zinc/41/75/72/1100417572.db2.gz XGTYBLMFBADFOS-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105394457 1100417573 /nfs/dbraw/zinc/41/75/73/1100417573.db2.gz XGTYBLMFBADFOS-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396494 1100580106 /nfs/dbraw/zinc/58/01/06/1100580106.db2.gz NHDIYFHKLUKGFM-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396494 1100580112 /nfs/dbraw/zinc/58/01/12/1100580112.db2.gz NHDIYFHKLUKGFM-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(=O)Nc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048686147 1100593804 /nfs/dbraw/zinc/59/38/04/1100593804.db2.gz MBIXSCQRNBARIT-UHFFFAOYSA-N 1 3 341.455 2.875 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC001087640391 1100625861 /nfs/dbraw/zinc/62/58/61/1100625861.db2.gz AABLMVIRUZGSHI-RBUKOAKNSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@@H]1CC([NH2+]C[C@H](O)C(F)(F)F)C[C@@H](C)N1Cc1ccccc1 ZINC001168019405 1100628441 /nfs/dbraw/zinc/62/84/41/1100628441.db2.gz IRHCNHIXPWZUEE-IOASZLSFSA-N 1 3 330.394 2.941 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC(C)C ZINC001087838866 1100849639 /nfs/dbraw/zinc/84/96/39/1100849639.db2.gz YRMVQSUJKIVONS-RBUKOAKNSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC(C)C ZINC001087838866 1100849648 /nfs/dbraw/zinc/84/96/48/1100849648.db2.gz YRMVQSUJKIVONS-RBUKOAKNSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC1CC1 ZINC001087841032 1100856260 /nfs/dbraw/zinc/85/62/60/1100856260.db2.gz ZXGMAOWGEYTUFZ-RBUKOAKNSA-N 1 3 329.488 2.741 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC1CC1 ZINC001087841032 1100856266 /nfs/dbraw/zinc/85/62/66/1100856266.db2.gz ZXGMAOWGEYTUFZ-RBUKOAKNSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1CC(N[C@@H]2CNC(=O)C2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032157 1100943557 /nfs/dbraw/zinc/94/35/57/1100943557.db2.gz FUCDDWBAQYFGPS-IIDMSEBBSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H]1CC(N[C@H]2CNC(=O)C2(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168032160 1100944295 /nfs/dbraw/zinc/94/42/95/1100944295.db2.gz FUCDDWBAQYFGPS-RKVPGOIHSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H]1C[C@@H](N2CCO[C@@H](CN(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039286 1101081611 /nfs/dbraw/zinc/08/16/11/1101081611.db2.gz CSKTYKRYGQQARE-YHELAOLJSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1C[C@@H](N2CCO[C@@H](CN(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039286 1101081618 /nfs/dbraw/zinc/08/16/18/1101081618.db2.gz CSKTYKRYGQQARE-YHELAOLJSA-N 1 3 345.531 2.690 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1)C1CCC1 ZINC001087995203 1101169086 /nfs/dbraw/zinc/16/90/86/1101169086.db2.gz YKTHKDMUVTVLOO-SJORKVTESA-N 1 3 347.528 2.513 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1)C1CCC1 ZINC001087995203 1101169090 /nfs/dbraw/zinc/16/90/90/1101169090.db2.gz YKTHKDMUVTVLOO-SJORKVTESA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001088002711 1101177958 /nfs/dbraw/zinc/17/79/58/1101177958.db2.gz PQVUDVZLWUHHMA-SQNIBIBYSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001088002711 1101177963 /nfs/dbraw/zinc/17/79/63/1101177963.db2.gz PQVUDVZLWUHHMA-SQNIBIBYSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088011194 1101190062 /nfs/dbraw/zinc/19/00/62/1101190062.db2.gz CIALURJSTKFYBO-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088011194 1101190064 /nfs/dbraw/zinc/19/00/64/1101190064.db2.gz CIALURJSTKFYBO-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001075344007 1101358844 /nfs/dbraw/zinc/35/88/44/1101358844.db2.gz IANWEJONUWRWBL-HKUYNNGSSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385377 1101389455 /nfs/dbraw/zinc/38/94/55/1101389455.db2.gz ALGCYJREWJXSPC-IAGOWNOFSA-N 1 3 341.515 2.874 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCCC1)C1CC1 ZINC001115573190 1101468559 /nfs/dbraw/zinc/46/85/59/1101468559.db2.gz MFXAVGAOWWHURN-CQSZACIVSA-N 1 3 349.441 2.688 20 0 EFADHO Cc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1C ZINC000066994831 1101479237 /nfs/dbraw/zinc/47/92/37/1101479237.db2.gz PDDFZMIJQHWHOU-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088095303 1101509476 /nfs/dbraw/zinc/50/94/76/1101509476.db2.gz FZVXHIUFLJVKFJ-HSALFYBXSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088095303 1101509490 /nfs/dbraw/zinc/50/94/90/1101509490.db2.gz FZVXHIUFLJVKFJ-HSALFYBXSA-N 1 3 347.547 2.853 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000067671638 1101551032 /nfs/dbraw/zinc/55/10/32/1101551032.db2.gz RJHZMGNTZNACFA-AWEZNQCLSA-N 1 3 329.410 2.821 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2csc(Br)c2)CC1 ZINC000067671529 1101550913 /nfs/dbraw/zinc/55/09/13/1101550913.db2.gz WLLXBPDXBBTHPK-GFCCVEGCSA-N 1 3 346.338 2.626 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)C1 ZINC001088106572 1101560424 /nfs/dbraw/zinc/56/04/24/1101560424.db2.gz HVIDEHUSLZZYBC-QRQLOZEOSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)C1 ZINC001088106572 1101560431 /nfs/dbraw/zinc/56/04/31/1101560431.db2.gz HVIDEHUSLZZYBC-QRQLOZEOSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCC4)CC[C@@H]3C2)C1 ZINC001088106856 1101561468 /nfs/dbraw/zinc/56/14/68/1101561468.db2.gz URZNWSRCMPEWCL-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)C1 ZINC001088106856 1101561475 /nfs/dbraw/zinc/56/14/75/1101561475.db2.gz URZNWSRCMPEWCL-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109469 1101565377 /nfs/dbraw/zinc/56/53/77/1101565377.db2.gz HKTBRGPTZSQYGP-SQNIBIBYSA-N 1 3 349.544 2.677 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109469 1101565390 /nfs/dbraw/zinc/56/53/90/1101565390.db2.gz HKTBRGPTZSQYGP-SQNIBIBYSA-N 1 3 349.544 2.677 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001087135090 1101612693 /nfs/dbraw/zinc/61/26/93/1101612693.db2.gz QLJQDXXHSJEGAS-MNEFBYGVSA-N 1 3 347.478 2.637 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114984767 1101653719 /nfs/dbraw/zinc/65/37/19/1101653719.db2.gz NKDCIAGYJUMJJC-RUYXUALKSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114984767 1101653724 /nfs/dbraw/zinc/65/37/24/1101653724.db2.gz NKDCIAGYJUMJJC-RUYXUALKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CC(N2CCC(=O)N(C)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168055972 1101655425 /nfs/dbraw/zinc/65/54/25/1101655425.db2.gz ZGYDMHFJPCBPGE-IAGOWNOFSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088148966 1101680068 /nfs/dbraw/zinc/68/00/68/1101680068.db2.gz GFVOLOSVQYWTKC-MOPGFXCFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088148966 1101680078 /nfs/dbraw/zinc/68/00/78/1101680078.db2.gz GFVOLOSVQYWTKC-MOPGFXCFSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3C2)CC1 ZINC001088149121 1101680357 /nfs/dbraw/zinc/68/03/57/1101680357.db2.gz NHBCOCXXWPXCTN-UXHICEINSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCC4)CC[C@@H]3C2)CC1 ZINC001088149121 1101680369 /nfs/dbraw/zinc/68/03/69/1101680369.db2.gz NHBCOCXXWPXCTN-UXHICEINSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150588 1101685538 /nfs/dbraw/zinc/68/55/38/1101685538.db2.gz LRTVUTAVKUINGO-UHOSZYNNSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150588 1101685548 /nfs/dbraw/zinc/68/55/48/1101685548.db2.gz LRTVUTAVKUINGO-UHOSZYNNSA-N 1 3 335.536 2.545 20 0 EFADHO COc1cc(CNCc2cccc(OCC[NH+](C)C)c2)cc(OC)c1 ZINC000069711520 1101731336 /nfs/dbraw/zinc/73/13/36/1101731336.db2.gz LYHDZLKNEPHDFU-UHFFFAOYSA-N 1 3 344.455 2.934 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210896 1101880728 /nfs/dbraw/zinc/88/07/28/1101880728.db2.gz GYAFOADOWRIUOV-MJGOQNOKSA-N 1 3 343.515 2.942 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210896 1101880742 /nfs/dbraw/zinc/88/07/42/1101880742.db2.gz GYAFOADOWRIUOV-MJGOQNOKSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@@H+]1C ZINC001655737457 1101882537 /nfs/dbraw/zinc/88/25/37/1101882537.db2.gz MZPIXZTUTXGHPT-RDJZCZTQSA-N 1 3 335.455 2.993 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@H+]1C ZINC001655737457 1101882552 /nfs/dbraw/zinc/88/25/52/1101882552.db2.gz MZPIXZTUTXGHPT-RDJZCZTQSA-N 1 3 335.455 2.993 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210861 1101882515 /nfs/dbraw/zinc/88/25/15/1101882515.db2.gz FPZGWZWQRNTGSD-AEFFLSMTSA-N 1 3 329.488 2.552 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088210861 1101882527 /nfs/dbraw/zinc/88/25/27/1101882527.db2.gz FPZGWZWQRNTGSD-AEFFLSMTSA-N 1 3 329.488 2.552 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001075366248 1101972210 /nfs/dbraw/zinc/97/22/10/1101972210.db2.gz BDLCJLHYKPYVEM-SJORKVTESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001167223901 1102077392 /nfs/dbraw/zinc/07/73/92/1102077392.db2.gz DGDWYNZPEANVHF-ZDUSSCGKSA-N 1 3 348.318 2.666 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC001167224167 1102077884 /nfs/dbraw/zinc/07/78/84/1102077884.db2.gz FUQYCRDHSINWAA-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCc2cccs2)CC1 ZINC001167224871 1102078068 /nfs/dbraw/zinc/07/80/68/1102078068.db2.gz LRMLEVZOKYYWJK-MRXNPFEDSA-N 1 3 349.544 2.651 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001167224176 1102078868 /nfs/dbraw/zinc/07/88/68/1102078868.db2.gz GGFJDHOBFAAMNW-HNNXBMFYSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167224896 1102080294 /nfs/dbraw/zinc/08/02/94/1102080294.db2.gz MJRJMXMGKWVGPT-KRWDZBQOSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001167232534 1102098711 /nfs/dbraw/zinc/09/87/11/1102098711.db2.gz GLRFNIMZAIKNSG-KRWDZBQOSA-N 1 3 333.520 2.705 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001167233015 1102100132 /nfs/dbraw/zinc/10/01/32/1102100132.db2.gz YEYFIHAYRIKTGJ-GOSISDBHSA-N 1 3 343.515 2.713 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001167232754 1102101094 /nfs/dbraw/zinc/10/10/94/1102101094.db2.gz PDLWDUHKLBEBIT-HNNXBMFYSA-N 1 3 349.544 2.774 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232887 1102101108 /nfs/dbraw/zinc/10/11/08/1102101108.db2.gz SZKDFMIUKRYICS-KRWDZBQOSA-N 1 3 343.515 2.713 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3ccccc3F)CC2)C1 ZINC001167232798 1102101178 /nfs/dbraw/zinc/10/11/78/1102101178.db2.gz QFHWIZITJJZEEK-MRXNPFEDSA-N 1 3 347.478 2.544 20 0 EFADHO CC/C=C\CC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240908 1102124845 /nfs/dbraw/zinc/12/48/45/1102124845.db2.gz USKHNYCHEJZWRY-WAYWQWQTSA-N 1 3 335.536 2.951 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1)CC(C)(C)C ZINC001167240905 1102125568 /nfs/dbraw/zinc/12/55/68/1102125568.db2.gz UKRBATIAYBNCEB-WEVVVXLNSA-N 1 3 329.916 2.593 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001167251585 1102144928 /nfs/dbraw/zinc/14/49/28/1102144928.db2.gz XCYHNHIIDQCTTH-IBGZPJMESA-N 1 3 345.531 2.836 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001167257625 1102160329 /nfs/dbraw/zinc/16/03/29/1102160329.db2.gz FMZILBSVQPZPBT-POGDKVGISA-N 1 3 343.515 2.916 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001167260769 1102184850 /nfs/dbraw/zinc/18/48/50/1102184850.db2.gz JDHKZUKADAWEAJ-SFHVURJKSA-N 1 3 349.494 2.585 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001167260808 1102185629 /nfs/dbraw/zinc/18/56/29/1102185629.db2.gz KUMAJOYSXSSUNH-SFHVURJKSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001167260999 1102187695 /nfs/dbraw/zinc/18/76/95/1102187695.db2.gz UIGNRZKIDNJINC-LBPRGKRZSA-N 1 3 336.307 2.522 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001104362645 1102213930 /nfs/dbraw/zinc/21/39/30/1102213930.db2.gz BBXUGJJWFKTAOI-VIGJRRFGSA-N 1 3 329.916 2.543 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001648970678 1102253854 /nfs/dbraw/zinc/25/38/54/1102253854.db2.gz SXHOBILEVAKHQW-GOEBONIOSA-N 1 3 332.492 2.895 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001167480483 1102297641 /nfs/dbraw/zinc/29/76/41/1102297641.db2.gz HOERXJKXQPUHBQ-UHFFFAOYSA-N 1 3 349.494 2.874 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001167480461 1102298187 /nfs/dbraw/zinc/29/81/87/1102298187.db2.gz GPGCAUFSLZXNFQ-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482499913 1102416265 /nfs/dbraw/zinc/41/62/65/1102416265.db2.gz RQFRNIUDXMTKQH-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CCN(C)CCF)CC2)C1 ZINC001482506152 1102436600 /nfs/dbraw/zinc/43/66/00/1102436600.db2.gz OVSQOMGIYXQUMU-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(CCN(C)CCF)CC2)C1 ZINC001482506152 1102436610 /nfs/dbraw/zinc/43/66/10/1102436610.db2.gz OVSQOMGIYXQUMU-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OC(F)F ZINC000075780621 1102573044 /nfs/dbraw/zinc/57/30/44/1102573044.db2.gz XUAZQCRMOWZARG-ZDUSSCGKSA-N 1 3 326.387 2.871 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001087175626 1102623243 /nfs/dbraw/zinc/62/32/43/1102623243.db2.gz XNLFTXGNGCSTMU-QAPCUYQASA-N 1 3 349.544 2.949 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc(F)c3)c2)CC1 ZINC000076400253 1102730065 /nfs/dbraw/zinc/73/00/65/1102730065.db2.gz QARYFUWDFNMPRA-UHFFFAOYSA-N 1 3 327.447 2.863 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2C)C1 ZINC001480904579 1102758903 /nfs/dbraw/zinc/75/89/03/1102758903.db2.gz IWRBLWHHFFZLHT-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2C)C1 ZINC001480904579 1102758915 /nfs/dbraw/zinc/75/89/15/1102758915.db2.gz IWRBLWHHFFZLHT-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291308 1102855763 /nfs/dbraw/zinc/85/57/63/1102855763.db2.gz LPMXJOJQYUFZRG-VYNKDHCKSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104291841 1102859477 /nfs/dbraw/zinc/85/94/77/1102859477.db2.gz WZINCQRDDJWUFW-LZQZEXGQSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC001088325910 1102927822 /nfs/dbraw/zinc/92/78/22/1102927822.db2.gz BMCGUAJZAYVXKV-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001088327875 1102935615 /nfs/dbraw/zinc/93/56/15/1102935615.db2.gz ZICNMQVEVAXAPC-AEFFLSMTSA-N 1 3 339.499 2.724 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001088327875 1102935622 /nfs/dbraw/zinc/93/56/22/1102935622.db2.gz ZICNMQVEVAXAPC-AEFFLSMTSA-N 1 3 339.499 2.724 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)NC(=O)C1(N(C)C)CCC1 ZINC001483234208 1103071594 /nfs/dbraw/zinc/07/15/94/1103071594.db2.gz MNYXKJLRUNSVQG-GUYCJALGSA-N 1 3 349.906 2.906 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]C/C=C/Cl)CC2)CC1 ZINC001409458980 1103123081 /nfs/dbraw/zinc/12/30/81/1103123081.db2.gz USKIOGXJOLEURX-XCVCLJGOSA-N 1 3 341.927 2.830 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001483266781 1103194567 /nfs/dbraw/zinc/19/45/67/1103194567.db2.gz UBKQUZJEKJRJNZ-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCCC[C@H]([NH2+]CCC3CC3)C2)C1 ZINC001088380444 1103304328 /nfs/dbraw/zinc/30/43/28/1103304328.db2.gz IGPJWKYIWBNCSH-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO C[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)N3CCCCCC3)C2)C1 ZINC001271975257 1103325775 /nfs/dbraw/zinc/32/57/75/1103325775.db2.gz BPJYCKHRNOQHFI-IBGZPJMESA-N 1 3 341.499 2.768 20 0 EFADHO C[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)N3CCCCCC3)C2)C1 ZINC001271975257 1103325792 /nfs/dbraw/zinc/32/57/92/1103325792.db2.gz BPJYCKHRNOQHFI-IBGZPJMESA-N 1 3 341.499 2.768 20 0 EFADHO C[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)N3CCCCCC3)C2)C1 ZINC001271975259 1103326089 /nfs/dbraw/zinc/32/60/89/1103326089.db2.gz BPJYCKHRNOQHFI-LJQANCHMSA-N 1 3 341.499 2.768 20 0 EFADHO C[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)N3CCCCCC3)C2)C1 ZINC001271975259 1103326106 /nfs/dbraw/zinc/32/61/06/1103326106.db2.gz BPJYCKHRNOQHFI-LJQANCHMSA-N 1 3 341.499 2.768 20 0 EFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccccc1)N1CCCCCC1 ZINC001271976607 1103329941 /nfs/dbraw/zinc/32/99/41/1103329941.db2.gz WGWUNHLQQOQURL-UFYCRDLUSA-N 1 3 341.499 2.909 20 0 EFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](c1ccccc1)N1CCCCCC1 ZINC001271976607 1103329957 /nfs/dbraw/zinc/32/99/57/1103329957.db2.gz WGWUNHLQQOQURL-UFYCRDLUSA-N 1 3 341.499 2.909 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088381386 1103333984 /nfs/dbraw/zinc/33/39/84/1103333984.db2.gz CZSVPPBNVRUHLM-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001088382375 1103342857 /nfs/dbraw/zinc/34/28/57/1103342857.db2.gz ZTPZEQHIRZLPNT-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372869 1103376076 /nfs/dbraw/zinc/37/60/76/1103376076.db2.gz NBAJXMKLJSWNEA-HXUWFJFHSA-N 1 3 349.519 2.946 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]12CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372869 1103376084 /nfs/dbraw/zinc/37/60/84/1103376084.db2.gz NBAJXMKLJSWNEA-HXUWFJFHSA-N 1 3 349.519 2.946 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001088390653 1103382178 /nfs/dbraw/zinc/38/21/78/1103382178.db2.gz RWALQQMHOMIOAD-GOSISDBHSA-N 1 3 340.471 2.822 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001088390603 1103382761 /nfs/dbraw/zinc/38/27/61/1103382761.db2.gz QUDDEDDJTPGVST-KRWDZBQOSA-N 1 3 330.476 2.813 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088394820 1103411037 /nfs/dbraw/zinc/41/10/37/1103411037.db2.gz POFKVRDZPDNKPK-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCCN1C(C)C ZINC001409485547 1103435533 /nfs/dbraw/zinc/43/55/33/1103435533.db2.gz OHOMHPBFJFNJCQ-KRWDZBQOSA-N 1 3 325.541 2.980 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443459 1103499783 /nfs/dbraw/zinc/49/97/83/1103499783.db2.gz GGSLKSQJUBCXHT-ZZHWGSSASA-N 1 3 335.536 2.855 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443459 1103499790 /nfs/dbraw/zinc/49/97/90/1103499790.db2.gz GGSLKSQJUBCXHT-ZZHWGSSASA-N 1 3 335.536 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cccc2cccnc21 ZINC001483407707 1103630146 /nfs/dbraw/zinc/63/01/46/1103630146.db2.gz FDOQISKODNRSNU-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc2cccnc21 ZINC001483407707 1103630150 /nfs/dbraw/zinc/63/01/50/1103630150.db2.gz FDOQISKODNRSNU-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CCSCC2)CC1 ZINC000078484636 1103727740 /nfs/dbraw/zinc/72/77/40/1103727740.db2.gz ZRKCBUZISIUBRO-UHFFFAOYSA-N 1 3 333.545 2.809 20 0 EFADHO C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H](C)CN1C ZINC000905985370 1103792305 /nfs/dbraw/zinc/79/23/05/1103792305.db2.gz UBCRWXDPWDFDPH-ARFHVFGLSA-N 1 3 333.476 2.819 20 0 EFADHO CN(CC[N@H+](C)CC/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001482585733 1103887966 /nfs/dbraw/zinc/88/79/66/1103887966.db2.gz ALDTXHAISSSQCC-UBIUBJKMSA-N 1 3 329.488 2.574 20 0 EFADHO CN(CC[N@@H+](C)CC/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001482585733 1103887979 /nfs/dbraw/zinc/88/79/79/1103887979.db2.gz ALDTXHAISSSQCC-UBIUBJKMSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066419 1103961745 /nfs/dbraw/zinc/96/17/45/1103961745.db2.gz NVRGWCFRLVMOAT-LJQANCHMSA-N 1 3 346.519 2.592 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066419 1103961753 /nfs/dbraw/zinc/96/17/53/1103961753.db2.gz NVRGWCFRLVMOAT-LJQANCHMSA-N 1 3 346.519 2.592 20 0 EFADHO CN1CCN(Cc2ccccc2-c2cncc([C@@H]3CCC[NH2+]3)c2)CC1 ZINC000906177015 1103980224 /nfs/dbraw/zinc/98/02/24/1103980224.db2.gz LTOZTPVFLVADCE-NRFANRHFSA-N 1 3 336.483 2.921 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCCc2ccsc2)C1 ZINC001100901993 1104035994 /nfs/dbraw/zinc/03/59/94/1104035994.db2.gz YXRHVYJGUWPHFD-UHFFFAOYSA-N 1 3 337.533 2.507 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001483616662 1104086027 /nfs/dbraw/zinc/08/60/27/1104086027.db2.gz UANAMLQDKPWSFT-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@@](C[NH2+]CC2CC2)(c2ccccc2)C1)N(C)C ZINC001105438925 1104100747 /nfs/dbraw/zinc/10/07/47/1104100747.db2.gz RROIEHTWLHBEAN-IRFCIJBXSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](C3CCN(CC4CC4)CC3)[C@@H]2C1 ZINC001168378135 1104115117 /nfs/dbraw/zinc/11/51/17/1104115117.db2.gz LKJFEMFVYBBLMB-SJLPKXTDSA-N 1 3 349.519 2.802 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](C3CCN(CC4CC4)CC3)[C@@H]2C1 ZINC001168378135 1104115128 /nfs/dbraw/zinc/11/51/28/1104115128.db2.gz LKJFEMFVYBBLMB-SJLPKXTDSA-N 1 3 349.519 2.802 20 0 EFADHO O=C1C[C@@H]2[C@H](CCN2C2CC[NH+](CC3CC3)CC2)N1c1ccsc1 ZINC001168378593 1104119206 /nfs/dbraw/zinc/11/92/06/1104119206.db2.gz XRAGOVPFIPHTHL-ZWKOTPCHSA-N 1 3 345.512 2.802 20 0 EFADHO O=C([C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)N1CCCCC1 ZINC001168380837 1104137452 /nfs/dbraw/zinc/13/74/52/1104137452.db2.gz UQTKPGGJNXGDCR-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO FC(F)(F)c1nn(C2CC[NH+](CC3CC3)CC2)c2c1CCNC2 ZINC001168388100 1104175572 /nfs/dbraw/zinc/17/55/72/1104175572.db2.gz BFUIZQDAFJXFNF-UHFFFAOYSA-N 1 3 328.382 2.595 20 0 EFADHO Cc1cccc(N2CCC[N@@H+](C3CCN(CC4CC4)CC3)CC2)n1 ZINC001168387848 1104175748 /nfs/dbraw/zinc/17/57/48/1104175748.db2.gz WAANPPKNPWTIKE-UHFFFAOYSA-N 1 3 328.504 2.777 20 0 EFADHO Cc1cccc(N2CCC[N@H+](C3CCN(CC4CC4)CC3)CC2)n1 ZINC001168387848 1104175755 /nfs/dbraw/zinc/17/57/55/1104175755.db2.gz WAANPPKNPWTIKE-UHFFFAOYSA-N 1 3 328.504 2.777 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001483620939 1104196800 /nfs/dbraw/zinc/19/68/00/1104196800.db2.gz NOIJKVXHXOMQCA-CDFMYIFESA-N 1 3 341.927 2.688 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001483620943 1104196892 /nfs/dbraw/zinc/19/68/92/1104196892.db2.gz NOIJKVXHXOMQCA-PHCRLAQASA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC(C)C)(c2ccccc2)C1 ZINC001105446116 1104203686 /nfs/dbraw/zinc/20/36/86/1104203686.db2.gz CJRVCGISWCSKNE-TYKWCNGQSA-N 1 3 345.531 2.790 20 0 EFADHO CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001101550347 1104232654 /nfs/dbraw/zinc/23/26/54/1104232654.db2.gz DPRROLDWQYLPJP-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO C[NH+](C)CCOc1cccc(CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC000906536245 1104290385 /nfs/dbraw/zinc/29/03/85/1104290385.db2.gz GVWSLMVSMPJLMI-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)C/C=C/c1ccccc1 ZINC001409591383 1104385352 /nfs/dbraw/zinc/38/53/52/1104385352.db2.gz OXYJCRNQMCIGLM-UEICXMAYSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001409591383 1104385362 /nfs/dbraw/zinc/38/53/62/1104385362.db2.gz OXYJCRNQMCIGLM-UEICXMAYSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482624957 1104683085 /nfs/dbraw/zinc/68/30/85/1104683085.db2.gz CEAWINZQAYBKMH-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CC/C=C\CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001665465616 1104699539 /nfs/dbraw/zinc/69/95/39/1104699539.db2.gz NRZRWHTWCBOESS-YAUKXXINSA-N 1 3 333.520 2.940 20 0 EFADHO CC/C=C\CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001665465616 1104699542 /nfs/dbraw/zinc/69/95/42/1104699542.db2.gz NRZRWHTWCBOESS-YAUKXXINSA-N 1 3 333.520 2.940 20 0 EFADHO CC/C=C/CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001665465613 1104699864 /nfs/dbraw/zinc/69/98/64/1104699864.db2.gz NRZRWHTWCBOESS-HECAZONMSA-N 1 3 333.520 2.940 20 0 EFADHO CC/C=C/CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001665465613 1104699871 /nfs/dbraw/zinc/69/98/71/1104699871.db2.gz NRZRWHTWCBOESS-HECAZONMSA-N 1 3 333.520 2.940 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577994 1104772572 /nfs/dbraw/zinc/77/25/72/1104772572.db2.gz ZYDMEWNPLKCSEJ-SMOSDQRPSA-N 1 3 343.515 2.668 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c1 ZINC001088577994 1104772576 /nfs/dbraw/zinc/77/25/76/1104772576.db2.gz ZYDMEWNPLKCSEJ-SMOSDQRPSA-N 1 3 343.515 2.668 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482680058 1104890894 /nfs/dbraw/zinc/89/08/94/1104890894.db2.gz UTUMUORVUFHANP-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001482839469 1105078399 /nfs/dbraw/zinc/07/83/99/1105078399.db2.gz JWPOMNYBEKUNBF-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001668623574 1105334339 /nfs/dbraw/zinc/33/43/39/1105334339.db2.gz QZBYUBAKRPZLRK-MRXNPFEDSA-N 1 3 347.494 2.836 20 0 EFADHO CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)[C@H](C(C)C)N(C)C ZINC001668623473 1105335062 /nfs/dbraw/zinc/33/50/62/1105335062.db2.gz QZBYUBAKRPZLRK-INIZCTEOSA-N 1 3 347.494 2.836 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988955774 1105399053 /nfs/dbraw/zinc/39/90/53/1105399053.db2.gz LDQJZMCFJDYWBI-FUHWJXTLSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988956335 1105400305 /nfs/dbraw/zinc/40/03/05/1105400305.db2.gz PUFBFXOTNLVJOB-RDJZCZTQSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964213 1105408465 /nfs/dbraw/zinc/40/84/65/1105408465.db2.gz ZUUNYKXFMIZBED-ROUUACIJSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000988969089 1105412231 /nfs/dbraw/zinc/41/22/31/1105412231.db2.gz UKARWNFRMLHOKM-HKUYNNGSSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000988968912 1105412289 /nfs/dbraw/zinc/41/22/89/1105412289.db2.gz SUFLJWLRZLEEAJ-CZUORRHYSA-N 1 3 335.517 2.620 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000988969092 1105412497 /nfs/dbraw/zinc/41/24/97/1105412497.db2.gz UKARWNFRMLHOKM-PKOBYXMFSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088620341 1105441088 /nfs/dbraw/zinc/44/10/88/1105441088.db2.gz GGXNOPYRRAJMKN-HOJAQTOUSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088620341 1105441091 /nfs/dbraw/zinc/44/10/91/1105441091.db2.gz GGXNOPYRRAJMKN-HOJAQTOUSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001030019523 1105569091 /nfs/dbraw/zinc/56/90/91/1105569091.db2.gz JAHRCPVRMWSNMU-YSIASYRMSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001671752475 1105695555 /nfs/dbraw/zinc/69/55/55/1105695555.db2.gz IPRSDXHOPYBKPV-TZIWHRDSSA-N 1 3 345.531 2.706 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCF)CCC1 ZINC001105563219 1105942583 /nfs/dbraw/zinc/94/25/83/1105942583.db2.gz HAJZMENMQMEKBH-IRXDYDNUSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105566610 1105943942 /nfs/dbraw/zinc/94/39/42/1105943942.db2.gz QLZSJSUWDATBPD-QGZVFWFLSA-N 1 3 330.476 2.503 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCN(C2CC2)C1 ZINC000897866255 1106123022 /nfs/dbraw/zinc/12/30/22/1106123022.db2.gz VEDNNAYBMRCQNG-PWIZWCRZSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CCN(C2CC2)C1 ZINC000897866255 1106123025 /nfs/dbraw/zinc/12/30/25/1106123025.db2.gz VEDNNAYBMRCQNG-PWIZWCRZSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449081 1106181808 /nfs/dbraw/zinc/18/18/08/1106181808.db2.gz CTSOJPBEAFEHEV-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000989449418 1106185933 /nfs/dbraw/zinc/18/59/33/1106185933.db2.gz HDQOQZFSMAQKAR-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449998 1106193928 /nfs/dbraw/zinc/19/39/28/1106193928.db2.gz LXPGZHORBKEDDN-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449658 1106209060 /nfs/dbraw/zinc/20/90/60/1106209060.db2.gz KKLBEOWVUSTGJQ-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449659 1106209199 /nfs/dbraw/zinc/20/91/99/1106209199.db2.gz KKLBEOWVUSTGJQ-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451637 1106212811 /nfs/dbraw/zinc/21/28/11/1106212811.db2.gz UVNAUGJTNNRNPV-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451854 1106216323 /nfs/dbraw/zinc/21/63/23/1106216323.db2.gz WGAKHWWKVVXMMG-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451193 1106220100 /nfs/dbraw/zinc/22/01/00/1106220100.db2.gz RZPTUFZQBFBLGT-HZPDHXFCSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452285 1106229062 /nfs/dbraw/zinc/22/90/62/1106229062.db2.gz XXPZRCWTLPZSQY-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116321 1106235819 /nfs/dbraw/zinc/23/58/19/1106235819.db2.gz OSRGUCWJRLYFOL-BHIYHBOVSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116321 1106235827 /nfs/dbraw/zinc/23/58/27/1106235827.db2.gz OSRGUCWJRLYFOL-BHIYHBOVSA-N 1 3 336.520 2.957 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c(C)c1 ZINC000989480416 1106356538 /nfs/dbraw/zinc/35/65/38/1106356538.db2.gz HXJMBAZJLVHIID-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC000989480416 1106356541 /nfs/dbraw/zinc/35/65/41/1106356541.db2.gz HXJMBAZJLVHIID-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989483939 1106360505 /nfs/dbraw/zinc/36/05/05/1106360505.db2.gz ZDZSCQMGNYIIOY-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989483939 1106360509 /nfs/dbraw/zinc/36/05/09/1106360509.db2.gz ZDZSCQMGNYIIOY-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490771 1106364512 /nfs/dbraw/zinc/36/45/12/1106364512.db2.gz AGEBTEPEPSTDAH-RHSMWYFYSA-N 1 3 332.492 2.748 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000989488850 1106371310 /nfs/dbraw/zinc/37/13/10/1106371310.db2.gz UTMHXMUPPNYKJD-AEFFLSMTSA-N 1 3 340.471 2.657 20 0 EFADHO CC(C)C[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302255 1106437206 /nfs/dbraw/zinc/43/72/06/1106437206.db2.gz MMARKXKEAGHFIM-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC000989605055 1106480648 /nfs/dbraw/zinc/48/06/48/1106480648.db2.gz HURRGGLIZISYDX-MAUKXSAKSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605809 1106481626 /nfs/dbraw/zinc/48/16/26/1106481626.db2.gz MNHMQXUYDHXPSE-IEBWSBKVSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606673 1106481660 /nfs/dbraw/zinc/48/16/60/1106481660.db2.gz TVQIAZZNPBHOOF-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606671 1106482004 /nfs/dbraw/zinc/48/20/04/1106482004.db2.gz TVQIAZZNPBHOOF-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606888 1106482642 /nfs/dbraw/zinc/48/26/42/1106482642.db2.gz WLSGOWCXUZNGON-WBVHZDCISA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000989607036 1106482889 /nfs/dbraw/zinc/48/28/89/1106482889.db2.gz YRMGBYSLEVZMJY-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)C1 ZINC000989661809 1106523788 /nfs/dbraw/zinc/52/37/88/1106523788.db2.gz MRNMUXFJTTWLAX-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)C1 ZINC000989661809 1106523792 /nfs/dbraw/zinc/52/37/92/1106523792.db2.gz MRNMUXFJTTWLAX-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989665437 1106526658 /nfs/dbraw/zinc/52/66/58/1106526658.db2.gz FIKUTTQGEDCNNC-HKUYNNGSSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989665437 1106526662 /nfs/dbraw/zinc/52/66/62/1106526662.db2.gz FIKUTTQGEDCNNC-HKUYNNGSSA-N 1 3 329.488 2.542 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088693034 1106549883 /nfs/dbraw/zinc/54/98/83/1106549883.db2.gz IYIOCPOJXQYEBA-NEWSRXKRSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088693034 1106549884 /nfs/dbraw/zinc/54/98/84/1106549884.db2.gz IYIOCPOJXQYEBA-NEWSRXKRSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC000989732324 1106596063 /nfs/dbraw/zinc/59/60/63/1106596063.db2.gz NPHLHAUDWFGWIJ-UHFFFAOYSA-N 1 3 343.515 2.905 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000989728704 1106602035 /nfs/dbraw/zinc/60/20/35/1106602035.db2.gz SHWJWJRKMGPFSY-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000989728704 1106602038 /nfs/dbraw/zinc/60/20/38/1106602038.db2.gz SHWJWJRKMGPFSY-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000989728703 1106602267 /nfs/dbraw/zinc/60/22/67/1106602267.db2.gz SHWJWJRKMGPFSY-CALCHBBNSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000989728703 1106602268 /nfs/dbraw/zinc/60/22/68/1106602268.db2.gz SHWJWJRKMGPFSY-CALCHBBNSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737325 1106613884 /nfs/dbraw/zinc/61/38/84/1106613884.db2.gz NHGSHIBSSVZJCT-KRWDZBQOSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737325 1106613885 /nfs/dbraw/zinc/61/38/85/1106613885.db2.gz NHGSHIBSSVZJCT-KRWDZBQOSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989799115 1106670076 /nfs/dbraw/zinc/67/00/76/1106670076.db2.gz JUZHNEYSFMSCHR-HKUYNNGSSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798760 1106670137 /nfs/dbraw/zinc/67/01/37/1106670137.db2.gz FOZTZNGANFSOBC-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799465 1106670430 /nfs/dbraw/zinc/67/04/30/1106670430.db2.gz MFDHZSZEDZKUFN-XLIONFOSSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989825590 1106699119 /nfs/dbraw/zinc/69/91/19/1106699119.db2.gz HVKNNWAIRZRRPS-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989828590 1106701643 /nfs/dbraw/zinc/70/16/43/1106701643.db2.gz GIEYGYAMICATQM-WMZOPIPTSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989828587 1106701830 /nfs/dbraw/zinc/70/18/30/1106701830.db2.gz GIEYGYAMICATQM-AEFFLSMTSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001168320576 1106711506 /nfs/dbraw/zinc/71/15/06/1106711506.db2.gz DHCRKXKJLMSGGI-UHFFFAOYSA-N 1 3 335.467 2.542 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860576 1106749543 /nfs/dbraw/zinc/74/95/43/1106749543.db2.gz RJMOSEVGRMNOGE-RVKKMQEKSA-N 1 3 327.488 2.578 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860576 1106749557 /nfs/dbraw/zinc/74/95/57/1106749557.db2.gz RJMOSEVGRMNOGE-RVKKMQEKSA-N 1 3 327.488 2.578 20 0 EFADHO C[NH+](C)C1CCC(N2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC001168322936 1106753271 /nfs/dbraw/zinc/75/32/71/1106753271.db2.gz JVFKAQUOESMQEP-UHFFFAOYSA-N 1 3 328.460 2.823 20 0 EFADHO CN(C)CCCC[NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001120574262 1106841264 /nfs/dbraw/zinc/84/12/64/1106841264.db2.gz XWLAVNNWQRATKT-UHFFFAOYSA-N 1 3 340.533 2.689 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)cc1F ZINC001168344470 1107375269 /nfs/dbraw/zinc/37/52/69/1107375269.db2.gz CCJRDNWWPBQWKA-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060942 1107381962 /nfs/dbraw/zinc/38/19/62/1107381962.db2.gz OUDWAASHSMTXAG-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060942 1107381976 /nfs/dbraw/zinc/38/19/76/1107381976.db2.gz OUDWAASHSMTXAG-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098970 1107418073 /nfs/dbraw/zinc/41/80/73/1107418073.db2.gz ZOQJSMQHJCKUIE-JKSUJKDBSA-N 1 3 329.504 2.683 20 0 EFADHO CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098970 1107418081 /nfs/dbraw/zinc/41/80/81/1107418081.db2.gz ZOQJSMQHJCKUIE-JKSUJKDBSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000990279128 1107590179 /nfs/dbraw/zinc/59/01/79/1107590179.db2.gz VWMZBKTVFVSWBY-QFBILLFUSA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000990277360 1107590225 /nfs/dbraw/zinc/59/02/25/1107590225.db2.gz NEEIEIYJQSUZOE-HXUWFJFHSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@](C)(NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168351164 1107590543 /nfs/dbraw/zinc/59/05/43/1107590543.db2.gz JPMROVLFCTZPPM-LJQANCHMSA-N 1 3 337.508 2.850 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990278350 1107591309 /nfs/dbraw/zinc/59/13/09/1107591309.db2.gz QDIRYCZBGHLTEJ-QFBILLFUSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990278351 1107591699 /nfs/dbraw/zinc/59/16/99/1107591699.db2.gz QDIRYCZBGHLTEJ-VQIMIIECSA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000990278390 1107591771 /nfs/dbraw/zinc/59/17/71/1107591771.db2.gz RDQICVIYVCMIJB-FQEVSTJZSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001089137291 1107601108 /nfs/dbraw/zinc/60/11/08/1107601108.db2.gz XMCKCAPOZJONPY-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001089137291 1107601113 /nfs/dbraw/zinc/60/11/13/1107601113.db2.gz XMCKCAPOZJONPY-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001483688525 1107731950 /nfs/dbraw/zinc/73/19/50/1107731950.db2.gz HGNVRMRXCKLPSF-MOPGFXCFSA-N 1 3 343.515 2.639 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001483688525 1107731966 /nfs/dbraw/zinc/73/19/66/1107731966.db2.gz HGNVRMRXCKLPSF-MOPGFXCFSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)(C)CC[C@@H](N)C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000904359205 1107842910 /nfs/dbraw/zinc/84/29/10/1107842910.db2.gz GPBGMEWTEGFXLL-LLVKDONJSA-N 1 3 333.402 2.651 20 0 EFADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000904361150 1107844400 /nfs/dbraw/zinc/84/44/00/1107844400.db2.gz WNQXCMUSQYNNJF-MOPGFXCFSA-N 1 3 333.520 2.803 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904389688 1107876679 /nfs/dbraw/zinc/87/66/79/1107876679.db2.gz QTGOVGLZVCUBQC-JXFKEZNVSA-N 1 3 345.487 2.735 20 0 EFADHO NC1(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000904449832 1107948130 /nfs/dbraw/zinc/94/81/30/1107948130.db2.gz LPKUOPXWGYMVFE-UHFFFAOYSA-N 1 3 334.055 2.793 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1csc2ccccc21 ZINC000904484821 1107970496 /nfs/dbraw/zinc/97/04/96/1107970496.db2.gz OYMZQSAJNPDAIN-ZIAGYGMSSA-N 1 3 331.485 2.749 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2C[C@H](C)NC[C@H]2C)c1 ZINC000904614698 1108063460 /nfs/dbraw/zinc/06/34/60/1108063460.db2.gz GNLFZHPZBFAMAA-JKSUJKDBSA-N 1 3 348.491 2.621 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC000904634497 1108074419 /nfs/dbraw/zinc/07/44/19/1108074419.db2.gz QLUNPURAYPCNGC-CRAIPNDOSA-N 1 3 338.455 2.930 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccco1 ZINC000904637085 1108075499 /nfs/dbraw/zinc/07/54/99/1108075499.db2.gz IAEHPBCFMCPUAI-CZUORRHYSA-N 1 3 330.432 2.989 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)Nc2ccccc2C[NH3+])N(C)C)cc1 ZINC000904658988 1108098394 /nfs/dbraw/zinc/09/83/94/1108098394.db2.gz NRXGVFFOXCHXNZ-GOSISDBHSA-N 1 3 326.444 2.878 20 0 EFADHO C[N@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089233050 1108110118 /nfs/dbraw/zinc/11/01/18/1108110118.db2.gz HZSRGHLAMPQHIH-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CC1CCCCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089233050 1108110126 /nfs/dbraw/zinc/11/01/26/1108110126.db2.gz HZSRGHLAMPQHIH-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1 ZINC001649002241 1108163258 /nfs/dbraw/zinc/16/32/58/1108163258.db2.gz NYNDLWULWVYSEJ-MSOLQXFVSA-N 1 3 347.503 2.712 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001272416226 1108236642 /nfs/dbraw/zinc/23/66/42/1108236642.db2.gz YCJDBIIYVJQKOQ-UYAOXDASSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001272416226 1108236645 /nfs/dbraw/zinc/23/66/45/1108236645.db2.gz YCJDBIIYVJQKOQ-UYAOXDASSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421705 1108251424 /nfs/dbraw/zinc/25/14/24/1108251424.db2.gz OWHUSQWAUBHHJU-JXFKEZNVSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421705 1108251432 /nfs/dbraw/zinc/25/14/32/1108251432.db2.gz OWHUSQWAUBHHJU-JXFKEZNVSA-N 1 3 329.488 2.584 20 0 EFADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393228 1108316272 /nfs/dbraw/zinc/31/62/72/1108316272.db2.gz AEPSVMCQLUOPIS-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393228 1108316285 /nfs/dbraw/zinc/31/62/85/1108316285.db2.gz AEPSVMCQLUOPIS-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071134 1108395442 /nfs/dbraw/zinc/39/54/42/1108395442.db2.gz OGUPCBAEZQAKHE-UXHICEINSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071134 1108395457 /nfs/dbraw/zinc/39/54/57/1108395457.db2.gz OGUPCBAEZQAKHE-UXHICEINSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071134 1108395471 /nfs/dbraw/zinc/39/54/71/1108395471.db2.gz OGUPCBAEZQAKHE-UXHICEINSA-N 1 3 334.504 2.664 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CC2(CC(NC/C(Cl)=C\Cl)C2)C1 ZINC001121664001 1108398062 /nfs/dbraw/zinc/39/80/62/1108398062.db2.gz XIFPKYKLDRKQEU-ZRDIBKRKSA-N 1 3 348.318 2.664 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NC(=O)NCCN2CCCCC2)CC1 ZINC000905140512 1108451557 /nfs/dbraw/zinc/45/15/57/1108451557.db2.gz DWFZYAZMDXTBTE-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1=O ZINC001272494749 1108533293 /nfs/dbraw/zinc/53/32/93/1108533293.db2.gz DBLHALVFAGXDNA-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1=O ZINC001272494749 1108533298 /nfs/dbraw/zinc/53/32/98/1108533298.db2.gz DBLHALVFAGXDNA-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1=O ZINC001272494748 1108533335 /nfs/dbraw/zinc/53/33/35/1108533335.db2.gz DBLHALVFAGXDNA-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1=O ZINC001272494748 1108533342 /nfs/dbraw/zinc/53/33/42/1108533342.db2.gz DBLHALVFAGXDNA-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203432014 1108632461 /nfs/dbraw/zinc/63/24/61/1108632461.db2.gz ZDHCZLKVTOYBPL-ACCUITESSA-N 1 3 336.307 2.618 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203432014 1108632465 /nfs/dbraw/zinc/63/24/65/1108632465.db2.gz ZDHCZLKVTOYBPL-ACCUITESSA-N 1 3 336.307 2.618 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001088769263 1108728639 /nfs/dbraw/zinc/72/86/39/1108728639.db2.gz ZXCYZMRNKOTKIL-AYOQOUSVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCCC1 ZINC001088769263 1108728647 /nfs/dbraw/zinc/72/86/47/1108728647.db2.gz ZXCYZMRNKOTKIL-AYOQOUSVSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001075335119 1108780040 /nfs/dbraw/zinc/78/00/40/1108780040.db2.gz IZOHAMMDONFTNU-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001030021652 1108891776 /nfs/dbraw/zinc/89/17/76/1108891776.db2.gz QPUXSHLYYNRTPF-NEWSRXKRSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)N(C)C ZINC001030021639 1108892265 /nfs/dbraw/zinc/89/22/65/1108892265.db2.gz KFJOHBIVUWDSPL-LNLFQRSKSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001030021692 1108892814 /nfs/dbraw/zinc/89/28/14/1108892814.db2.gz HZBOLXKQEFCDPD-WBAXXEDZSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001030021702 1108894044 /nfs/dbraw/zinc/89/40/44/1108894044.db2.gz WYSFGBMNPBUHOU-WBAXXEDZSA-N 1 3 335.467 2.808 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000899134380 1109213944 /nfs/dbraw/zinc/21/39/44/1109213944.db2.gz KQSGZHUJBBJFJN-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000899134380 1109213950 /nfs/dbraw/zinc/21/39/50/1109213950.db2.gz KQSGZHUJBBJFJN-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)cc1 ZINC001088816658 1109237791 /nfs/dbraw/zinc/23/77/91/1109237791.db2.gz LJFCVHIUHXTRRM-HNJRGHQBSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C)cc1 ZINC001088816658 1109237793 /nfs/dbraw/zinc/23/77/93/1109237793.db2.gz LJFCVHIUHXTRRM-HNJRGHQBSA-N 1 3 343.515 2.804 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086122 1109628016 /nfs/dbraw/zinc/62/80/16/1109628016.db2.gz QBXLHDYPFDILMZ-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086122 1109628018 /nfs/dbraw/zinc/62/80/18/1109628018.db2.gz QBXLHDYPFDILMZ-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086121 1109628041 /nfs/dbraw/zinc/62/80/41/1109628041.db2.gz QBXLHDYPFDILMZ-XUVXKRRUSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086121 1109628042 /nfs/dbraw/zinc/62/80/42/1109628042.db2.gz QBXLHDYPFDILMZ-XUVXKRRUSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001076324635 1109767783 /nfs/dbraw/zinc/76/77/83/1109767783.db2.gz WZTOBWTUICMKJO-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001076324635 1109767787 /nfs/dbraw/zinc/76/77/87/1109767787.db2.gz WZTOBWTUICMKJO-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001046597688 1111184884 /nfs/dbraw/zinc/18/48/84/1111184884.db2.gz KCCKEEINNXQPCW-NRFANRHFSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106249604 1111218633 /nfs/dbraw/zinc/21/86/33/1111218633.db2.gz LQZYZCMLCCYBHD-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106249537 1111220616 /nfs/dbraw/zinc/22/06/16/1111220616.db2.gz JWKZAOYUVVOVBG-KBAYOESNSA-N 1 3 337.552 2.837 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250050 1111221297 /nfs/dbraw/zinc/22/12/97/1111221297.db2.gz XGRYMYONWKKVMM-HGBPHBNFSA-N 1 3 335.536 2.757 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255236 1111232386 /nfs/dbraw/zinc/23/23/86/1111232386.db2.gz LCAGCLSWZGSGEH-XXCOWLKOSA-N 1 3 335.536 2.901 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281763 1111308114 /nfs/dbraw/zinc/30/81/14/1111308114.db2.gz BGIQGOMWLILNRD-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)C(C)(C)N1CCCCC1)c1ccc(F)cc1 ZINC001127317068 1111346700 /nfs/dbraw/zinc/34/67/00/1111346700.db2.gz HUHSCZORWUHNNP-HNNXBMFYSA-N 1 3 335.467 2.857 20 0 EFADHO Cc1cc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c(C)s1 ZINC001127317288 1111348598 /nfs/dbraw/zinc/34/85/98/1111348598.db2.gz NIJCVPZEPBVHBQ-UHFFFAOYSA-N 1 3 337.533 2.835 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CCCc1cccc(F)c1)N1CCCCC1 ZINC001127322000 1111414838 /nfs/dbraw/zinc/41/48/38/1111414838.db2.gz JGHNSAKJOUUGNF-UHFFFAOYSA-N 1 3 349.494 2.729 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001106336647 1111425412 /nfs/dbraw/zinc/42/54/12/1111425412.db2.gz XPCOVEYYBBHQAD-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001106339909 1111432772 /nfs/dbraw/zinc/43/27/72/1111432772.db2.gz FGUNRDRDLHPNDU-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001106339802 1111433039 /nfs/dbraw/zinc/43/30/39/1111433039.db2.gz AVYRDQVKIFJBCD-SJLPKXTDSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F)N1CCCCC1 ZINC001127327283 1111456466 /nfs/dbraw/zinc/45/64/66/1111456466.db2.gz JELXVWLLNSFOGA-GOSISDBHSA-N 1 3 347.478 2.783 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633175 1111683763 /nfs/dbraw/zinc/68/37/63/1111683763.db2.gz BRAAMWAUNFKQLV-KZNAEPCWSA-N 1 3 325.541 2.693 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106665145 1111708105 /nfs/dbraw/zinc/70/81/05/1111708105.db2.gz JLBLTQJNPRLLPL-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3=CCCCC3)[C@H](C)C2)C1 ZINC001106665995 1111708576 /nfs/dbraw/zinc/70/85/76/1111708576.db2.gz DMBHDAKMFRWTIW-QWFCFKBJSA-N 1 3 347.547 2.903 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666832 1111709181 /nfs/dbraw/zinc/70/91/81/1111709181.db2.gz WZMSTRDIXWOVEI-SHWAFNQQSA-N 1 3 335.536 2.759 20 0 EFADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001106704896 1111737750 /nfs/dbraw/zinc/73/77/50/1111737750.db2.gz HVMFWUDXWLLAMJ-SUMDDJOVSA-N 1 3 340.471 2.788 20 0 EFADHO Cc1cc(CN2CC[C@@H](C3C[NH2+]C3)C2)c(Br)cc1F ZINC001235341529 1111745978 /nfs/dbraw/zinc/74/59/78/1111745978.db2.gz QBWKKHDKGUTRCL-LLVKDONJSA-N 1 3 327.241 2.938 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729108 1111770192 /nfs/dbraw/zinc/77/01/92/1111770192.db2.gz IJOPAAICVOTKFO-GUDVDZBRSA-N 1 3 335.536 2.900 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001272637806 1111788444 /nfs/dbraw/zinc/78/84/44/1111788444.db2.gz CWLPSFOUOPBDRU-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001272637806 1111788447 /nfs/dbraw/zinc/78/84/47/1111788447.db2.gz CWLPSFOUOPBDRU-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001106775707 1111822134 /nfs/dbraw/zinc/82/21/34/1111822134.db2.gz ZVDDWSXNQORBEF-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001106778629 1111825845 /nfs/dbraw/zinc/82/58/45/1111825845.db2.gz MXTJXUQQGHLWFU-SOLBZPMBSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001106779130 1111826150 /nfs/dbraw/zinc/82/61/50/1111826150.db2.gz ZCMWXJMVSRUTTM-SOLBZPMBSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203521074 1111842219 /nfs/dbraw/zinc/84/22/19/1111842219.db2.gz IFBOOPKXDALKPA-SJORKVTESA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317818 1112036202 /nfs/dbraw/zinc/03/62/02/1112036202.db2.gz RKZCHQSCBSISDS-RBSFLKMASA-N 1 3 349.441 2.637 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089380913 1112041386 /nfs/dbraw/zinc/04/13/86/1112041386.db2.gz JQTNFXIYECABPF-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089380913 1112041390 /nfs/dbraw/zinc/04/13/90/1112041390.db2.gz JQTNFXIYECABPF-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426511 1112115730 /nfs/dbraw/zinc/11/57/30/1112115730.db2.gz IXLGVMVDTRWWQK-IAGOWNOFSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426511 1112115732 /nfs/dbraw/zinc/11/57/32/1112115732.db2.gz IXLGVMVDTRWWQK-IAGOWNOFSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089491549 1112226761 /nfs/dbraw/zinc/22/67/61/1112226761.db2.gz PHYZIEMIMILZKN-ATEGUMQPSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089491549 1112226763 /nfs/dbraw/zinc/22/67/63/1112226763.db2.gz PHYZIEMIMILZKN-ATEGUMQPSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CC1 ZINC001483773889 1112361715 /nfs/dbraw/zinc/36/17/15/1112361715.db2.gz OFCIPJGFVFGJEK-GOSISDBHSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641481 1112432423 /nfs/dbraw/zinc/43/24/23/1112432423.db2.gz NDTQSUJWWLVVPJ-RTBURBONSA-N 1 3 347.547 2.901 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089648546 1112447453 /nfs/dbraw/zinc/44/74/53/1112447453.db2.gz MFSJCRGGTCJCMD-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089648546 1112447456 /nfs/dbraw/zinc/44/74/56/1112447456.db2.gz MFSJCRGGTCJCMD-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089648548 1112447727 /nfs/dbraw/zinc/44/77/27/1112447727.db2.gz MFSJCRGGTCJCMD-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089648548 1112447730 /nfs/dbraw/zinc/44/77/30/1112447730.db2.gz MFSJCRGGTCJCMD-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@H+](CC(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1)CC(C)(C)C ZINC001483849307 1112510410 /nfs/dbraw/zinc/51/04/10/1112510410.db2.gz SSLDHMWVZMRDQB-MTIYJEKLSA-N 1 3 341.927 2.641 20 0 EFADHO C[N@@H+](CC(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1)CC(C)(C)C ZINC001483849307 1112510416 /nfs/dbraw/zinc/51/04/16/1112510416.db2.gz SSLDHMWVZMRDQB-MTIYJEKLSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001483916416 1112557693 /nfs/dbraw/zinc/55/76/93/1112557693.db2.gz OZSICZTYWJLBCH-AEFFLSMTSA-N 1 3 349.494 2.945 20 0 EFADHO CC1(C)CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)N(CCCF)C1 ZINC001089665457 1112621752 /nfs/dbraw/zinc/62/17/52/1112621752.db2.gz XAXOBCMLXTXKHQ-MRXNPFEDSA-N 1 3 339.499 2.581 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1)CC(C)(C)C ZINC001484168984 1112876410 /nfs/dbraw/zinc/87/64/10/1112876410.db2.gz RNHORNYUCTWSHV-SFHVURJKSA-N 1 3 329.504 2.542 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001484168984 1112876413 /nfs/dbraw/zinc/87/64/13/1112876413.db2.gz RNHORNYUCTWSHV-SFHVURJKSA-N 1 3 329.504 2.542 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC001484636409 1113075394 /nfs/dbraw/zinc/07/53/94/1113075394.db2.gz BGJGXPYSMSTPBA-LJQANCHMSA-N 1 3 343.515 2.998 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001484722766 1113126910 /nfs/dbraw/zinc/12/69/10/1113126910.db2.gz JIHZBKAYUSSBTM-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001484825850 1117764351 /nfs/dbraw/zinc/76/43/51/1117764351.db2.gz XCPIBQNZRZQDHF-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001484905027 1117819852 /nfs/dbraw/zinc/81/98/52/1117819852.db2.gz MNVFHRDNJKNWNQ-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821256 1117920130 /nfs/dbraw/zinc/92/01/30/1117920130.db2.gz RMHDGNCZVRNVEC-MANSERQUSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821256 1117920135 /nfs/dbraw/zinc/92/01/35/1117920135.db2.gz RMHDGNCZVRNVEC-MANSERQUSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821261 1117921197 /nfs/dbraw/zinc/92/11/97/1117921197.db2.gz RMHDGNCZVRNVEC-VJANTYMQSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821261 1117921199 /nfs/dbraw/zinc/92/11/99/1117921199.db2.gz RMHDGNCZVRNVEC-VJANTYMQSA-N 1 3 345.531 2.606 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001485006574 1117937525 /nfs/dbraw/zinc/93/75/25/1117937525.db2.gz XALYOGRQKNZBOK-HXUWFJFHSA-N 1 3 343.515 2.988 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC001127638798 1117994106 /nfs/dbraw/zinc/99/41/06/1117994106.db2.gz QROOIKHDHDPFNA-IAQYHMDHSA-N 1 3 344.286 2.539 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC001127638798 1117994110 /nfs/dbraw/zinc/99/41/10/1117994110.db2.gz QROOIKHDHDPFNA-IAQYHMDHSA-N 1 3 344.286 2.539 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCc2ccccc2)CCC1 ZINC001485059741 1117998558 /nfs/dbraw/zinc/99/85/58/1117998558.db2.gz LFABCIYHVMPRQT-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCc2ccccc2)CCC1 ZINC001485059741 1117998561 /nfs/dbraw/zinc/99/85/61/1117998561.db2.gz LFABCIYHVMPRQT-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1C1CC1 ZINC001485313923 1118226472 /nfs/dbraw/zinc/22/64/72/1118226472.db2.gz PUWRVRCESLFOMW-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1C1CC1 ZINC001485313923 1118226476 /nfs/dbraw/zinc/22/64/76/1118226476.db2.gz PUWRVRCESLFOMW-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001485317338 1118230139 /nfs/dbraw/zinc/23/01/39/1118230139.db2.gz SRPFBUZQLGDTEE-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001485317338 1118230141 /nfs/dbraw/zinc/23/01/41/1118230141.db2.gz SRPFBUZQLGDTEE-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001485317337 1118230427 /nfs/dbraw/zinc/23/04/27/1118230427.db2.gz SRPFBUZQLGDTEE-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001485317337 1118230430 /nfs/dbraw/zinc/23/04/30/1118230430.db2.gz SRPFBUZQLGDTEE-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089845507 1118242471 /nfs/dbraw/zinc/24/24/71/1118242471.db2.gz FPBVGJYFYOXMCV-VJANTYMQSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089845507 1118242475 /nfs/dbraw/zinc/24/24/75/1118242475.db2.gz FPBVGJYFYOXMCV-VJANTYMQSA-N 1 3 347.547 2.686 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001485508615 1118427156 /nfs/dbraw/zinc/42/71/56/1118427156.db2.gz HHBYKBDFXLLPLC-SJORKVTESA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485540475 1118440595 /nfs/dbraw/zinc/44/05/95/1118440595.db2.gz SHBXYFAUWTZTMM-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001485813616 1118929019 /nfs/dbraw/zinc/92/90/19/1118929019.db2.gz LXTKCGOCDJDTBM-OALUTQOASA-N 1 3 331.504 2.599 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555567 1118964971 /nfs/dbraw/zinc/96/49/71/1118964971.db2.gz MATYEERAQYMFRW-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555567 1118964975 /nfs/dbraw/zinc/96/49/75/1118964975.db2.gz MATYEERAQYMFRW-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289742 1119401452 /nfs/dbraw/zinc/40/14/52/1119401452.db2.gz RQCJFJWAAZZFBO-YJBOKZPZSA-N 1 3 349.544 2.807 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001032119652 1119770210 /nfs/dbraw/zinc/77/02/10/1119770210.db2.gz XWAFCVATHYZOOO-FAFZWHIHSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)c1 ZINC001032129091 1119837814 /nfs/dbraw/zinc/83/78/14/1119837814.db2.gz QGHNISDTFDHJRY-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032182937 1119929493 /nfs/dbraw/zinc/92/94/93/1119929493.db2.gz WEUWUPBMBZRJFO-UZLBHIALSA-N 1 3 343.515 2.871 20 0 EFADHO CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032182937 1119929496 /nfs/dbraw/zinc/92/94/96/1119929496.db2.gz WEUWUPBMBZRJFO-UZLBHIALSA-N 1 3 343.515 2.871 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107039153 1120038844 /nfs/dbraw/zinc/03/88/44/1120038844.db2.gz LRMAUCGCPPYRPB-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001107040652 1120055621 /nfs/dbraw/zinc/05/56/21/1120055621.db2.gz LADGFWYONJNVRV-UYAOXDASSA-N 1 3 345.531 2.562 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001107040660 1120055838 /nfs/dbraw/zinc/05/58/38/1120055838.db2.gz LHUQKTLLWQXMCX-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001107042297 1120067172 /nfs/dbraw/zinc/06/71/72/1120067172.db2.gz FRDRAJQAJJGCJF-ZIFCJYIRSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000944443689 1120193473 /nfs/dbraw/zinc/19/34/73/1120193473.db2.gz HPRBXUWOZRMVCJ-XJKSGUPXSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000944443689 1120193475 /nfs/dbraw/zinc/19/34/75/1120193475.db2.gz HPRBXUWOZRMVCJ-XJKSGUPXSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC000944443681 1120193931 /nfs/dbraw/zinc/19/39/31/1120193931.db2.gz HPRBXUWOZRMVCJ-CJNGLKHVSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC000944443681 1120193934 /nfs/dbraw/zinc/19/39/34/1120193934.db2.gz HPRBXUWOZRMVCJ-CJNGLKHVSA-N 1 3 332.492 2.523 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CCCC3CCC3)C2)c1 ZINC001032207317 1120201671 /nfs/dbraw/zinc/20/16/71/1120201671.db2.gz MLYGASGBGXNNOP-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028185 1120518444 /nfs/dbraw/zinc/51/84/44/1120518444.db2.gz FJRAYKZSHPQCTE-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028185 1120518445 /nfs/dbraw/zinc/51/84/45/1120518445.db2.gz FJRAYKZSHPQCTE-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029431 1120521030 /nfs/dbraw/zinc/52/10/30/1120521030.db2.gz SPEUJLFNCLDNBA-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945029431 1120521038 /nfs/dbraw/zinc/52/10/38/1120521038.db2.gz SPEUJLFNCLDNBA-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090546 1120560733 /nfs/dbraw/zinc/56/07/33/1120560733.db2.gz LJWJQDGCLMFTAS-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090546 1120560737 /nfs/dbraw/zinc/56/07/37/1120560737.db2.gz LJWJQDGCLMFTAS-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168529350 1120627619 /nfs/dbraw/zinc/62/76/19/1120627619.db2.gz PUHFZJKTBNKLIK-IJLUTSLNSA-N 1 3 339.402 2.501 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168529354 1120648131 /nfs/dbraw/zinc/64/81/31/1120648131.db2.gz PUHFZJKTBNKLIK-WOPDTQHZSA-N 1 3 339.402 2.501 20 0 EFADHO C[NH2+]CC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000051756281 214102200 /nfs/dbraw/zinc/10/22/00/214102200.db2.gz SGICHVCKZJOJFD-UHFFFAOYSA-N 1 3 327.266 2.759 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177268590 282146304 /nfs/dbraw/zinc/14/63/04/282146304.db2.gz SEPDTPXXNHUADQ-SXLOBPIMSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000362821123 282149709 /nfs/dbraw/zinc/14/97/09/282149709.db2.gz VHKIPMBUIVHIPW-SFHVURJKSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185466566 282149125 /nfs/dbraw/zinc/14/91/25/282149125.db2.gz IIVVDZWGUUQOEB-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522713 214377899 /nfs/dbraw/zinc/37/78/99/214377899.db2.gz ZPXKURNTWAMELK-INIZCTEOSA-N 1 3 349.494 2.836 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174536078 231234049 /nfs/dbraw/zinc/23/40/49/231234049.db2.gz XRIBWSBILRTHJS-QRVBRYPASA-N 1 3 332.488 2.920 20 0 EFADHO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1ccc2c(c1)OCCO2 ZINC000159097673 529584858 /nfs/dbraw/zinc/58/48/58/529584858.db2.gz AOBIXPYMLPZKEL-SFHVURJKSA-N 1 3 348.487 2.999 20 0 EFADHO Cc1ncsc1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158706 282233003 /nfs/dbraw/zinc/23/30/03/282233003.db2.gz XAKFWXOUHCNBAB-YJBOKZPZSA-N 1 3 329.469 2.840 20 0 EFADHO COc1cc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000177840659 232008959 /nfs/dbraw/zinc/00/89/59/232008959.db2.gz RJWBLDTVJPISRM-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO C[NH+]1CCC(NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000177371489 530050581 /nfs/dbraw/zinc/05/05/81/530050581.db2.gz WIMTXGYQMMFIBH-UHFFFAOYSA-N 1 3 337.773 2.816 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1[C@@H](C)CC[C@@H]1C ZINC000101645990 219151118 /nfs/dbraw/zinc/15/11/18/219151118.db2.gz RUYFRUIIEPKQHG-ULQDDVLXSA-N 1 3 347.503 2.505 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000066174412 215019242 /nfs/dbraw/zinc/01/92/42/215019242.db2.gz LDGICEFRKUCISJ-IBGZPJMESA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H](c1ccccc1)N(C)C ZINC000349574459 299148686 /nfs/dbraw/zinc/14/86/86/299148686.db2.gz JNOFFQQVOVPZIG-FUHWJXTLSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1 ZINC000067452649 215148111 /nfs/dbraw/zinc/14/81/11/215148111.db2.gz LNTQRYVRHSOAFA-HDICACEKSA-N 1 3 342.487 2.851 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000179702122 233341898 /nfs/dbraw/zinc/34/18/98/233341898.db2.gz SNFJDCXDMDGORO-IBGZPJMESA-N 1 3 331.504 2.870 20 0 EFADHO CN1CCC(C[NH2+][C@H]2CCCCC23CCCC3)(N2CCOCC2)CC1 ZINC000414204024 282695696 /nfs/dbraw/zinc/69/56/96/282695696.db2.gz VZVUOVYXDUCCDO-IBGZPJMESA-N 1 3 349.563 2.876 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(Br)c2)CC1 ZINC000344645029 535164428 /nfs/dbraw/zinc/16/44/28/535164428.db2.gz YDGYVTWLFYQDGZ-UHFFFAOYSA-N 1 3 341.293 2.774 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000104411500 219385008 /nfs/dbraw/zinc/38/50/08/219385008.db2.gz BVHVVLKSQCFNQM-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCCc2sccc21)N1CC[NH2+]CC1 ZINC000423400901 282910471 /nfs/dbraw/zinc/91/04/71/282910471.db2.gz XIYHKCUSLANXBJ-TZMCWYRMSA-N 1 3 333.423 2.551 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1nc2ccc(OC)cc2s1 ZINC000353739693 146549154 /nfs/dbraw/zinc/54/91/54/146549154.db2.gz PVDCVZUTJDPIRZ-CQSZACIVSA-N 1 3 337.489 2.751 20 0 EFADHO COC(=O)CCN(Cc1cccc(F)c1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414693764 291023020 /nfs/dbraw/zinc/02/30/20/291023020.db2.gz FHSZTKQQXSLLEY-ZIAGYGMSSA-N 1 3 340.414 2.718 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000262346840 291035194 /nfs/dbraw/zinc/03/51/94/291035194.db2.gz GUJCECRGXOZUHV-ZULIPRJHSA-N 1 3 343.515 2.886 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000374443816 283098642 /nfs/dbraw/zinc/09/86/42/283098642.db2.gz NQICDLYCTATWHD-ZIFCJYIRSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000374443816 283098645 /nfs/dbraw/zinc/09/86/45/283098645.db2.gz NQICDLYCTATWHD-ZIFCJYIRSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000182677204 283211348 /nfs/dbraw/zinc/21/13/48/283211348.db2.gz LZIHHCIMHKDMIM-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072089696 216006683 /nfs/dbraw/zinc/00/66/83/216006683.db2.gz DGGZMIGKKBFIQE-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072089696 216006686 /nfs/dbraw/zinc/00/66/86/216006686.db2.gz DGGZMIGKKBFIQE-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000131983355 223289713 /nfs/dbraw/zinc/28/97/13/223289713.db2.gz BASNACYMHZCRKZ-PXNSSMCTSA-N 1 3 342.483 2.881 20 0 EFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000166178241 239122550 /nfs/dbraw/zinc/12/25/50/239122550.db2.gz QHCSKMOZQRKJJI-ZWKOTPCHSA-N 1 3 347.503 2.541 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000073440734 216387033 /nfs/dbraw/zinc/38/70/33/216387033.db2.gz JCCYHMPBPDBJIV-MJGOQNOKSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000073440734 216387036 /nfs/dbraw/zinc/38/70/36/216387036.db2.gz JCCYHMPBPDBJIV-MJGOQNOKSA-N 1 3 346.519 2.663 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cnc(-c2ccco2)s1 ZINC000193097263 240016629 /nfs/dbraw/zinc/01/66/29/240016629.db2.gz IFAOLNGNYXFUFO-AWEZNQCLSA-N 1 3 335.473 2.730 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cnc(-c2ccco2)s1 ZINC000193097263 240016633 /nfs/dbraw/zinc/01/66/33/240016633.db2.gz IFAOLNGNYXFUFO-AWEZNQCLSA-N 1 3 335.473 2.730 20 0 EFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000193129796 240086981 /nfs/dbraw/zinc/08/69/81/240086981.db2.gz ISBKNDVGSWFYIJ-YJBOKZPZSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](CC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000193441280 240166771 /nfs/dbraw/zinc/16/67/71/240166771.db2.gz CVZHOVQBGZNJAK-YSGRDPCXSA-N 1 3 339.483 2.982 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000193872836 240340948 /nfs/dbraw/zinc/34/09/48/240340948.db2.gz CCSHMIUFRVTROW-HYVNUMGLSA-N 1 3 334.460 2.619 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000193872825 240341668 /nfs/dbraw/zinc/34/16/68/240341668.db2.gz CCSHMIUFRVTROW-BHYGNILZSA-N 1 3 334.460 2.619 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cccc(Br)c3)C[C@@H]21 ZINC000230131958 242235554 /nfs/dbraw/zinc/23/55/54/242235554.db2.gz UOADIYOGYVXGOY-UHOFOFEASA-N 1 3 339.277 2.887 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000236713172 242330685 /nfs/dbraw/zinc/33/06/85/242330685.db2.gz FFIPCRGOZOJIQX-IBGZPJMESA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000236787906 242358474 /nfs/dbraw/zinc/35/84/74/242358474.db2.gz SQIAFMUZPMBCTH-IAFLDTSXSA-N 1 3 335.536 2.735 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236798860 242362257 /nfs/dbraw/zinc/36/22/57/242362257.db2.gz HBUUJDOCAJOSGU-INIZCTEOSA-N 1 3 335.467 2.671 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236659221 242308873 /nfs/dbraw/zinc/30/88/73/242308873.db2.gz ARPJRYLMJDUVRR-MRXNPFEDSA-N 1 3 335.517 2.637 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000236661165 242311237 /nfs/dbraw/zinc/31/12/37/242311237.db2.gz XGTMGKSFCJKXQF-QUCCMNQESA-N 1 3 329.488 2.575 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236664996 242313238 /nfs/dbraw/zinc/31/32/38/242313238.db2.gz UDUHHBQXMWVAKE-LPHOPBHVSA-N 1 3 335.467 2.527 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000236834819 242376565 /nfs/dbraw/zinc/37/65/65/242376565.db2.gz FMCANCIFVIXVQJ-MSOLQXFVSA-N 1 3 329.488 2.575 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000236881959 242394138 /nfs/dbraw/zinc/39/41/38/242394138.db2.gz KFGIZTCVECZAHB-QAPCUYQASA-N 1 3 332.492 2.520 20 0 EFADHO C[C@H](C(=O)N(CCN(C)C)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000237551607 242687073 /nfs/dbraw/zinc/68/70/73/242687073.db2.gz RGPOLIDFKPWECW-LPHOPBHVSA-N 1 3 325.456 2.917 20 0 EFADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(CC)CC1)C(C)(C)c1ccccc1 ZINC000411479399 242849823 /nfs/dbraw/zinc/84/98/23/242849823.db2.gz MAZLYFSSIFATHP-LJQANCHMSA-N 1 3 345.531 2.933 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411944633 243037908 /nfs/dbraw/zinc/03/79/08/243037908.db2.gz NJMXRVGXJLQLQN-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343133115 296122910 /nfs/dbraw/zinc/12/29/10/296122910.db2.gz NHSQJWKVLRALGF-CTNGQTDRSA-N 1 3 345.531 2.914 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246961541 243342836 /nfs/dbraw/zinc/34/28/36/243342836.db2.gz DJZVHFQPXJIKIZ-PKOBYXMFSA-N 1 3 348.531 2.916 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246961541 243342843 /nfs/dbraw/zinc/34/28/43/243342843.db2.gz DJZVHFQPXJIKIZ-PKOBYXMFSA-N 1 3 348.531 2.916 20 0 EFADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000414061035 243988517 /nfs/dbraw/zinc/98/85/17/243988517.db2.gz BIVJYXUMEYRAKI-SFHVURJKSA-N 1 3 341.503 2.673 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC000414244865 244060538 /nfs/dbraw/zinc/06/05/38/244060538.db2.gz LUMQQEDZCCMRDP-MAUKXSAKSA-N 1 3 334.508 2.833 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000414244865 244060542 /nfs/dbraw/zinc/06/05/42/244060542.db2.gz LUMQQEDZCCMRDP-MAUKXSAKSA-N 1 3 334.508 2.833 20 0 EFADHO C[C@@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171774 244030076 /nfs/dbraw/zinc/03/00/76/244030076.db2.gz DRDIREFNWPEEMC-ZIAGYGMSSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171774 244030081 /nfs/dbraw/zinc/03/00/81/244030081.db2.gz DRDIREFNWPEEMC-ZIAGYGMSSA-N 1 3 342.480 2.612 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414202001 244043623 /nfs/dbraw/zinc/04/36/23/244043623.db2.gz TVWZLRKCRRRMTD-LJQANCHMSA-N 1 3 331.504 2.524 20 0 EFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000414197565 244043963 /nfs/dbraw/zinc/04/39/63/244043963.db2.gz PMBNYLRHXIINMS-QGZVFWFLSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201034 244044705 /nfs/dbraw/zinc/04/47/05/244044705.db2.gz SIBLBROPZMZLLO-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696071 244294656 /nfs/dbraw/zinc/29/46/56/244294656.db2.gz ATIXSXCKXTWDTN-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696071 244294658 /nfs/dbraw/zinc/29/46/58/244294658.db2.gz ATIXSXCKXTWDTN-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000414697831 244297299 /nfs/dbraw/zinc/29/72/99/244297299.db2.gz CGFNIRGLQCFRNV-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000414697831 244297304 /nfs/dbraw/zinc/29/73/04/244297304.db2.gz CGFNIRGLQCFRNV-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCOc1ccc(CN2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414682568 244289388 /nfs/dbraw/zinc/28/93/88/244289388.db2.gz RMOQGZOXKCRBGC-MJGOQNOKSA-N 1 3 331.504 2.591 20 0 EFADHO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677105 244289863 /nfs/dbraw/zinc/28/98/63/244289863.db2.gz OJECTDVIWVCMHG-GOSISDBHSA-N 1 3 339.483 2.859 20 0 EFADHO CC[N@H+](Cc1ccc2ccccc2c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414677105 244289868 /nfs/dbraw/zinc/28/98/68/244289868.db2.gz OJECTDVIWVCMHG-GOSISDBHSA-N 1 3 339.483 2.859 20 0 EFADHO C[C@@H]1C[C@@H](CN(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414739292 244318676 /nfs/dbraw/zinc/31/86/76/244318676.db2.gz CDDAOWWCFPGMSL-NEPJUHHUSA-N 1 3 347.322 2.693 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414771885 244338625 /nfs/dbraw/zinc/33/86/25/244338625.db2.gz APDYVFGMMBKSSB-OALUTQOASA-N 1 3 342.462 2.892 20 0 EFADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745586 244320673 /nfs/dbraw/zinc/32/06/73/244320673.db2.gz PMQHNHULNDUNKU-PZJWPPBQSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745586 244320675 /nfs/dbraw/zinc/32/06/75/244320675.db2.gz PMQHNHULNDUNKU-PZJWPPBQSA-N 1 3 343.515 2.529 20 0 EFADHO COC(=O)c1nc([C@@H]2CCCN2C[C@@H]2CC[NH2+][C@@H](C)C2)sc1C ZINC000414755644 244328867 /nfs/dbraw/zinc/32/88/67/244328867.db2.gz IAGUXXGMAFOMLB-YUTCNCBUSA-N 1 3 337.489 2.763 20 0 EFADHO COc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000414762411 244331223 /nfs/dbraw/zinc/33/12/23/244331223.db2.gz AJLUSZYVVIKGSP-BETUJISGSA-N 1 3 326.387 2.728 20 0 EFADHO CC[C@@H](C[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760735 244331245 /nfs/dbraw/zinc/33/12/45/244331245.db2.gz ZJQXBDVQGWMUTC-MSOLQXFVSA-N 1 3 331.504 2.699 20 0 EFADHO CC[C@@H](C[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760735 244331251 /nfs/dbraw/zinc/33/12/51/244331251.db2.gz ZJQXBDVQGWMUTC-MSOLQXFVSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000414812476 244365499 /nfs/dbraw/zinc/36/54/99/244365499.db2.gz RIYCPASQYRHPMO-NEPJUHHUSA-N 1 3 337.265 2.844 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414847969 244369040 /nfs/dbraw/zinc/36/90/40/244369040.db2.gz WNGDGPKIQZARKS-RYUDHWBXSA-N 1 3 331.382 2.868 20 0 EFADHO Fc1ccc(-n2cc(CNCC[C@@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414848804 244370023 /nfs/dbraw/zinc/37/00/23/244370023.db2.gz XJWFTFNDFPWONA-LBPRGKRZSA-N 1 3 337.830 2.539 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H]1CCCNC1 ZINC000414854369 244373568 /nfs/dbraw/zinc/37/35/68/244373568.db2.gz LTYKNCBVQDVUSG-GJZGRUSLSA-N 1 3 349.906 2.922 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2cccc(-c3ccccn3)c2)CC12CCOCC2 ZINC000414779866 244345083 /nfs/dbraw/zinc/34/50/83/244345083.db2.gz KSRAFABAMYEUQF-LJQANCHMSA-N 1 3 337.467 2.936 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH2+]CC1 ZINC000414784925 244347315 /nfs/dbraw/zinc/34/73/15/244347315.db2.gz UHGRAMBXQQJEEM-NSHDSACASA-N 1 3 329.366 2.764 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCNCC1 ZINC000414784925 244347320 /nfs/dbraw/zinc/34/73/20/244347320.db2.gz UHGRAMBXQQJEEM-NSHDSACASA-N 1 3 329.366 2.764 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414788121 244352049 /nfs/dbraw/zinc/35/20/49/244352049.db2.gz WGVPDZHTHSWNIC-HUUCEWRRSA-N 1 3 334.460 2.534 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000414798756 244358156 /nfs/dbraw/zinc/35/81/56/244358156.db2.gz ZFJZGJFXZNMIKP-MJGOQNOKSA-N 1 3 344.434 2.544 20 0 EFADHO N[C@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414881423 244385013 /nfs/dbraw/zinc/38/50/13/244385013.db2.gz ALBRGMZNJBCMPL-QGZVFWFLSA-N 1 3 325.859 2.770 20 0 EFADHO [NH3+][C@H](CNC1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414881423 244385019 /nfs/dbraw/zinc/38/50/19/244385019.db2.gz ALBRGMZNJBCMPL-QGZVFWFLSA-N 1 3 325.859 2.770 20 0 EFADHO C[C@@H](C[NH3+])CNCc1ccc(Br)c(Br)c1 ZINC000414888100 244391225 /nfs/dbraw/zinc/39/12/25/244391225.db2.gz ZRTJIXIRZBZAHI-QMMMGPOBSA-N 1 3 336.071 2.896 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1 ZINC000414945972 244399130 /nfs/dbraw/zinc/39/91/30/244399130.db2.gz JACUEWVMQIFMRO-UKRRQHHQSA-N 1 3 335.879 2.675 20 0 EFADHO CNCc1cccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000415920849 244461152 /nfs/dbraw/zinc/46/11/52/244461152.db2.gz PWOXUKJEMYUOQP-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849282 244874391 /nfs/dbraw/zinc/87/43/91/244874391.db2.gz XTYPNNXTQHHKLH-LSDHHAIUSA-N 1 3 338.521 2.558 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208582 245047794 /nfs/dbraw/zinc/04/77/94/245047794.db2.gz BCRAXSVGFHOQMG-HKUYNNGSSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218374 245050510 /nfs/dbraw/zinc/05/05/10/245050510.db2.gz GKYWJQLXUGGJDG-CAMMJAKZSA-N 1 3 344.503 2.733 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218077 245051128 /nfs/dbraw/zinc/05/11/28/245051128.db2.gz FNWHKPRFNLFOGZ-WBVHZDCISA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000417225791 245053638 /nfs/dbraw/zinc/05/36/38/245053638.db2.gz YIYUODVNJXLULK-FRQCXROJSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417224410 245053741 /nfs/dbraw/zinc/05/37/41/245053741.db2.gz UWDRQZOYLSDYOI-SOLBZPMBSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417675246 245086704 /nfs/dbraw/zinc/08/67/04/245086704.db2.gz BRNDUVZFDLGGEE-MDZRGWNJSA-N 1 3 344.503 2.639 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000262652267 245098763 /nfs/dbraw/zinc/09/87/63/245098763.db2.gz RTAYQLKCCHFHHY-UHFFFAOYSA-N 1 3 346.519 2.672 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000418338706 245127456 /nfs/dbraw/zinc/12/74/56/245127456.db2.gz ZPUBMURVXLHSPI-SFHVURJKSA-N 1 3 346.519 2.841 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000262719474 245142114 /nfs/dbraw/zinc/14/21/14/245142114.db2.gz YFNYBZPYHWEUHT-FQEVSTJZSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418489420 245170644 /nfs/dbraw/zinc/17/06/44/245170644.db2.gz ONQRDGJZIUEWRF-LJQANCHMSA-N 1 3 342.487 2.821 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418489419 245171345 /nfs/dbraw/zinc/17/13/45/245171345.db2.gz ONQRDGJZIUEWRF-IBGZPJMESA-N 1 3 342.487 2.821 20 0 EFADHO NC[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000418498127 245175657 /nfs/dbraw/zinc/17/56/57/245175657.db2.gz JITQWYADZZEQEZ-RBUKOAKNSA-N 1 3 340.471 2.671 20 0 EFADHO C[C@@]1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000418496126 245175936 /nfs/dbraw/zinc/17/59/36/245175936.db2.gz CUAXDLGOINRUGU-UYAOXDASSA-N 1 3 340.471 2.529 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502425 245177213 /nfs/dbraw/zinc/17/72/13/245177213.db2.gz VMZWJCXZCMFOPK-KXBFYZLASA-N 1 3 340.471 2.575 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418446425 245161009 /nfs/dbraw/zinc/16/10/09/245161009.db2.gz POFWPZLCGWIUMR-GOSISDBHSA-N 1 3 334.508 2.653 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418443773 245161127 /nfs/dbraw/zinc/16/11/27/245161127.db2.gz NWDZEHQGTBXESD-ROUUACIJSA-N 1 3 328.460 2.512 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418467118 245168314 /nfs/dbraw/zinc/16/83/14/245168314.db2.gz OOHCRPGOCZEPMQ-HOTGVXAUSA-N 1 3 340.899 2.759 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418535407 245185999 /nfs/dbraw/zinc/18/59/99/245185999.db2.gz HICIEOWAIJEKLQ-FQEVSTJZSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418622295 245215079 /nfs/dbraw/zinc/21/50/79/245215079.db2.gz MYNKXIBZTRWAAP-LJQANCHMSA-N 1 3 346.519 2.797 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000262872012 245224491 /nfs/dbraw/zinc/22/44/91/245224491.db2.gz MKSHCMUYIRAMFW-UWVAXJGDSA-N 1 3 343.515 2.586 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418649751 245225797 /nfs/dbraw/zinc/22/57/97/245225797.db2.gz JNTJDQSEJSJFBL-PKOBYXMFSA-N 1 3 344.503 2.519 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000418656778 245229822 /nfs/dbraw/zinc/22/98/22/245229822.db2.gz SYBIJQRFNVPNSE-JENIJYKNSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000418656778 245229829 /nfs/dbraw/zinc/22/98/29/245229829.db2.gz SYBIJQRFNVPNSE-JENIJYKNSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000418656864 245229856 /nfs/dbraw/zinc/22/98/56/245229856.db2.gz SYBIJQRFNVPNSE-ZIFCJYIRSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000418656864 245229859 /nfs/dbraw/zinc/22/98/59/245229859.db2.gz SYBIJQRFNVPNSE-ZIFCJYIRSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418659117 245233180 /nfs/dbraw/zinc/23/31/80/245233180.db2.gz WXZMWJRXVYRLLJ-LJQANCHMSA-N 1 3 346.519 2.799 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662270 245235490 /nfs/dbraw/zinc/23/54/90/245235490.db2.gz COIKHFGASFYNQM-IYARVYRRSA-N 1 3 338.540 2.659 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418700388 245251307 /nfs/dbraw/zinc/25/13/07/245251307.db2.gz JKNAQKMPOXXYRZ-ZIFCJYIRSA-N 1 3 346.519 2.808 20 0 EFADHO N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000262943369 245265273 /nfs/dbraw/zinc/26/52/73/245265273.db2.gz USDWVRIOXPVREM-HXUWFJFHSA-N 1 3 337.467 2.989 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418739808 245267477 /nfs/dbraw/zinc/26/74/77/245267477.db2.gz NFBMIWPPYLETHD-ROUUACIJSA-N 1 3 338.540 2.657 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419359182 245388348 /nfs/dbraw/zinc/38/83/48/245388348.db2.gz RBVRITLGAQCRQM-OAHLLOKOSA-N 1 3 329.488 2.815 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000079096548 217192111 /nfs/dbraw/zinc/19/21/11/217192111.db2.gz YNWSADWDZBSPLC-UHFFFAOYSA-N 1 3 346.519 2.668 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000111843158 220205898 /nfs/dbraw/zinc/20/58/98/220205898.db2.gz ZPIHNMWDCOZOMG-LJQANCHMSA-N 1 3 346.519 2.770 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000421684989 246061728 /nfs/dbraw/zinc/06/17/28/246061728.db2.gz MQLBEOHYRVGWDS-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000422032342 246230838 /nfs/dbraw/zinc/23/08/38/246230838.db2.gz FIRJOHJXASWJER-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000422032342 246230848 /nfs/dbraw/zinc/23/08/48/246230848.db2.gz FIRJOHJXASWJER-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C[NH3+] ZINC000422565358 246386326 /nfs/dbraw/zinc/38/63/26/246386326.db2.gz YSGWSZCPFDKFIK-JFIYKMOQSA-N 1 3 342.487 2.804 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)CC[NH3+])N2CCCC2)cc1 ZINC000422598951 246401447 /nfs/dbraw/zinc/40/14/47/246401447.db2.gz OOLFSCAMTVRGSE-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO Fc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422828047 246477761 /nfs/dbraw/zinc/47/77/61/246477761.db2.gz FRTXVPOSGNQESB-CEXWTWQISA-N 1 3 336.451 2.731 20 0 EFADHO Cc1cc(Br)ccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422956090 246527127 /nfs/dbraw/zinc/52/71/27/246527127.db2.gz KNDIKQZXXQYXOT-TUKIKUTGSA-N 1 3 327.266 2.599 20 0 EFADHO Cc1ccc2cc([C@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc2c1 ZINC000426051080 247230725 /nfs/dbraw/zinc/23/07/25/247230725.db2.gz NWTXIECZQBCTCB-DOTOQJQBSA-N 1 3 343.471 2.979 20 0 EFADHO O=C(CN1CC[C@@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426456248 247281003 /nfs/dbraw/zinc/28/10/03/247281003.db2.gz VGTQOMPCUQPQCV-VQTJNVASSA-N 1 3 341.499 2.773 20 0 EFADHO CC[C@@]1(CO)CCCN(C[C@H](C)C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426458727 247281194 /nfs/dbraw/zinc/28/11/94/247281194.db2.gz KFMZWJGPPYCYSS-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@@]1(CO)CCCN(C[C@H](C)C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426458727 247281197 /nfs/dbraw/zinc/28/11/97/247281197.db2.gz KFMZWJGPPYCYSS-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@@]1(CO)CCC[N@@H+](C[C@H](C)CN2CCC[C@](CC)(CO)C2)C1 ZINC000426458727 247281199 /nfs/dbraw/zinc/28/11/99/247281199.db2.gz KFMZWJGPPYCYSS-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@@]1(CO)CCC[N@H+](C[C@H](C)CN2CCC[C@](CC)(CO)C2)C1 ZINC000426458727 247281203 /nfs/dbraw/zinc/28/12/03/247281203.db2.gz KFMZWJGPPYCYSS-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000427304715 247336833 /nfs/dbraw/zinc/33/68/33/247336833.db2.gz MTYZIBKUMKNIRP-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO O=C([C@@H]1CCCN1C1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000426987706 247305767 /nfs/dbraw/zinc/30/57/67/247305767.db2.gz VGWRTHIFISCUKS-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000426988389 247306923 /nfs/dbraw/zinc/30/69/23/247306923.db2.gz AETPIBPYCPROHK-RTBURBONSA-N 1 3 343.515 2.713 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265278285 247364050 /nfs/dbraw/zinc/36/40/50/247364050.db2.gz HZHBRMQGJLVEKM-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265278285 247364054 /nfs/dbraw/zinc/36/40/54/247364054.db2.gz HZHBRMQGJLVEKM-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428429136 247481514 /nfs/dbraw/zinc/48/15/14/247481514.db2.gz ZTIRNVREMLMMIM-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO FC(F)Oc1cc2c(cc1CN1CCC3(CC[NH2+]C3)CC1)OCO2 ZINC000430949183 247855064 /nfs/dbraw/zinc/85/50/64/247855064.db2.gz BPFWSRBVOTTWOJ-UHFFFAOYSA-N 1 3 340.370 2.592 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000265845760 247844233 /nfs/dbraw/zinc/84/42/33/247844233.db2.gz HDATXIGCKJAHOK-UHFFFAOYSA-N 1 3 336.785 2.905 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000261613127 284580533 /nfs/dbraw/zinc/58/05/33/284580533.db2.gz FBFUMQUALDDEDV-LPHOPBHVSA-N 1 3 331.504 2.903 20 0 EFADHO CCn1cccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1=O ZINC000433067974 248011136 /nfs/dbraw/zinc/01/11/36/248011136.db2.gz PPWDGUCKDPDDRV-INIZCTEOSA-N 1 3 343.471 2.659 20 0 EFADHO CCN(C(=O)[C@H](C[NH3+])C(C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000433116891 248020286 /nfs/dbraw/zinc/02/02/86/248020286.db2.gz MFHUZNJLRACGIS-QXAKKESOSA-N 1 3 331.504 2.901 20 0 EFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433510000 248067363 /nfs/dbraw/zinc/06/73/63/248067363.db2.gz LSCDBHGBMRPJDJ-KFKAGJAMSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433510000 248067367 /nfs/dbraw/zinc/06/73/67/248067367.db2.gz LSCDBHGBMRPJDJ-KFKAGJAMSA-N 1 3 329.488 2.772 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434359120 248146724 /nfs/dbraw/zinc/14/67/24/248146724.db2.gz UJTIUGSBSHGRFM-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434672012 248177198 /nfs/dbraw/zinc/17/71/98/248177198.db2.gz XCKJKLFNDAXRFT-SPYBWZPUSA-N 1 3 325.456 2.829 20 0 EFADHO CCN(Cc1ccc(OCc2nccn2C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435390474 248235461 /nfs/dbraw/zinc/23/54/61/248235461.db2.gz BDVKVQXRJHOPFQ-SFHVURJKSA-N 1 3 342.487 2.963 20 0 EFADHO O=C(C[C@@H]1CSCCN1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000434874467 248194177 /nfs/dbraw/zinc/19/41/77/248194177.db2.gz POIXTMMUONPEFG-GOSISDBHSA-N 1 3 347.528 2.749 20 0 EFADHO CC(C)N(C)C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821593 218171275 /nfs/dbraw/zinc/17/12/75/218171275.db2.gz MZHAWYFEMIMLGX-QGZVFWFLSA-N 1 3 346.519 2.875 20 0 EFADHO CCCCCNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821326 218171639 /nfs/dbraw/zinc/17/16/39/218171639.db2.gz HXHBCRXLSUWGCV-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO CCN(CC)C(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821460 218172337 /nfs/dbraw/zinc/17/23/37/218172337.db2.gz QZEXAUFLUBIOQD-QGZVFWFLSA-N 1 3 346.519 2.877 20 0 EFADHO CN1CCC(N2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)CC1 ZINC000442775324 250116343 /nfs/dbraw/zinc/11/63/43/250116343.db2.gz GEFGWPXZKAQEDG-UHFFFAOYSA-N 1 3 329.479 2.959 20 0 EFADHO Cc1c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1C(C)(C)C ZINC000442872642 250134536 /nfs/dbraw/zinc/13/45/36/250134536.db2.gz JXSBMYDSXIFWIH-OAHLLOKOSA-N 1 3 335.540 2.623 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443061703 250155423 /nfs/dbraw/zinc/15/54/23/250155423.db2.gz SHNVDMRKASHDBH-DNVCBOLYSA-N 1 3 335.467 2.700 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443061665 250156062 /nfs/dbraw/zinc/15/60/62/250156062.db2.gz SANZYHSNMMVQAU-SJORKVTESA-N 1 3 343.515 2.803 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443078635 250159555 /nfs/dbraw/zinc/15/95/55/250159555.db2.gz XELNXDVZKSJCJJ-PMPSAXMXSA-N 1 3 335.517 2.861 20 0 EFADHO COCc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735002 218245185 /nfs/dbraw/zinc/24/51/85/218245185.db2.gz MDETTYJBXUFCRA-UHFFFAOYSA-N 1 3 332.488 2.910 20 0 EFADHO C[C@H](C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000444270586 250278070 /nfs/dbraw/zinc/27/80/70/250278070.db2.gz RRQOYTIBZPUCEE-YLJYHZDGSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444309201 250286587 /nfs/dbraw/zinc/28/65/87/250286587.db2.gz BGQWRCXGMLESIQ-JGLNRKDHSA-N 1 3 343.515 2.884 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444309201 250286592 /nfs/dbraw/zinc/28/65/92/250286592.db2.gz BGQWRCXGMLESIQ-JGLNRKDHSA-N 1 3 343.515 2.884 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000446625382 250516647 /nfs/dbraw/zinc/51/66/47/250516647.db2.gz SXYYMGPVRFWWOS-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449397831 251011437 /nfs/dbraw/zinc/01/14/37/251011437.db2.gz RWKZECMBRQWMQW-HXUWFJFHSA-N 1 3 347.547 2.581 20 0 EFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000449450327 251030002 /nfs/dbraw/zinc/03/00/02/251030002.db2.gz BDHGCNHOZHTJEP-XDWAVFMPSA-N 1 3 344.499 2.538 20 0 EFADHO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449641075 251089768 /nfs/dbraw/zinc/08/97/68/251089768.db2.gz UJNAGMLCDNOKDD-ICSRJNTNSA-N 1 3 333.520 2.856 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267477338 251093215 /nfs/dbraw/zinc/09/32/15/251093215.db2.gz AUUKFBNLZMXGJR-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449657704 251099765 /nfs/dbraw/zinc/09/97/65/251099765.db2.gz QJNIZLXFVVACAU-SQNIBIBYSA-N 1 3 334.508 2.844 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000449725059 251131823 /nfs/dbraw/zinc/13/18/23/251131823.db2.gz ICMXRACRQJOHMR-ZDUSSCGKSA-N 1 3 343.349 2.504 20 0 EFADHO CCCc1ccc2[nH+]ccc(N[C@@H](C)CN3CCN(C)CC3)c2c1 ZINC000450319328 251343941 /nfs/dbraw/zinc/34/39/41/251343941.db2.gz QKUCSYMQAORJQA-INIZCTEOSA-N 1 3 326.488 2.657 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000444665808 296328837 /nfs/dbraw/zinc/32/88/37/296328837.db2.gz VGASTNOCKPNIII-NEWSRXKRSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000444665808 296328839 /nfs/dbraw/zinc/32/88/39/296328839.db2.gz VGASTNOCKPNIII-NEWSRXKRSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000342812998 296329480 /nfs/dbraw/zinc/32/94/80/296329480.db2.gz NUMXCRFGNCCYEO-XUMLPFHTSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000342812998 296329481 /nfs/dbraw/zinc/32/94/81/296329481.db2.gz NUMXCRFGNCCYEO-XUMLPFHTSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000342812994 296329533 /nfs/dbraw/zinc/32/95/33/296329533.db2.gz NUMXCRFGNCCYEO-QBMUGXQSSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000342812994 296329535 /nfs/dbraw/zinc/32/95/35/296329535.db2.gz NUMXCRFGNCCYEO-QBMUGXQSSA-N 1 3 333.520 2.676 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268536138 252004096 /nfs/dbraw/zinc/00/40/96/252004096.db2.gz JRHYSYCUZVMPAH-QGZVFWFLSA-N 1 3 345.487 2.714 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268536138 252004101 /nfs/dbraw/zinc/00/41/01/252004101.db2.gz JRHYSYCUZVMPAH-QGZVFWFLSA-N 1 3 345.487 2.714 20 0 EFADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000268726326 252175582 /nfs/dbraw/zinc/17/55/82/252175582.db2.gz AVEJTVHTQNLSTH-MOPGFXCFSA-N 1 3 333.520 2.910 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000454276975 252198352 /nfs/dbraw/zinc/19/83/52/252198352.db2.gz YGGSSFHKUWUPKF-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000454276975 252198354 /nfs/dbraw/zinc/19/83/54/252198354.db2.gz YGGSSFHKUWUPKF-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO COCc1ccc(CNCCc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000268764021 252213274 /nfs/dbraw/zinc/21/32/74/252213274.db2.gz AWNWDIJGXNFYGV-UHFFFAOYSA-N 1 3 332.444 2.699 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268787851 252237806 /nfs/dbraw/zinc/23/78/06/252237806.db2.gz DMXXGZZFLHEYHX-JKSUJKDBSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787851 252237812 /nfs/dbraw/zinc/23/78/12/252237812.db2.gz DMXXGZZFLHEYHX-JKSUJKDBSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H](NCc1ccc(N(C)C)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268788613 252239067 /nfs/dbraw/zinc/23/90/67/252239067.db2.gz WWSFJLAGEPDYAM-INIZCTEOSA-N 1 3 342.487 2.939 20 0 EFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1 ZINC000268801012 252254283 /nfs/dbraw/zinc/25/42/83/252254283.db2.gz AZNHBTKMSGGRIS-ZDUSSCGKSA-N 1 3 328.403 2.785 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268818357 252268306 /nfs/dbraw/zinc/26/83/06/252268306.db2.gz QVHHREGPVIBAAG-SCTDSRPQSA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268818357 252268310 /nfs/dbraw/zinc/26/83/10/252268310.db2.gz QVHHREGPVIBAAG-SCTDSRPQSA-N 1 3 331.504 2.934 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268816809 252269286 /nfs/dbraw/zinc/26/92/86/252269286.db2.gz MPRUGKWNKGSDKM-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO COCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268809318 252260598 /nfs/dbraw/zinc/26/05/98/252260598.db2.gz NHJHXQVWQXFNHT-NQIIRXRSSA-N 1 3 345.531 2.740 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000454451875 252266835 /nfs/dbraw/zinc/26/68/35/252266835.db2.gz JFYYNLVNYGEGAR-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000454451875 252266841 /nfs/dbraw/zinc/26/68/41/252266841.db2.gz JFYYNLVNYGEGAR-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000268828924 252278032 /nfs/dbraw/zinc/27/80/32/252278032.db2.gz LTYFLJGEBZYYNK-NZSAHSFTSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000268828924 252278035 /nfs/dbraw/zinc/27/80/35/252278035.db2.gz LTYFLJGEBZYYNK-NZSAHSFTSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000268840410 252289195 /nfs/dbraw/zinc/28/91/95/252289195.db2.gz NKHOFKDBBMXQOS-HOCLYGCPSA-N 1 3 328.403 2.785 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303429812 285198556 /nfs/dbraw/zinc/19/85/56/285198556.db2.gz BRGSVAPERZVDNT-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303429812 285198557 /nfs/dbraw/zinc/19/85/57/285198557.db2.gz BRGSVAPERZVDNT-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)(C)C ZINC000342862394 285243641 /nfs/dbraw/zinc/24/36/41/285243641.db2.gz SSFZQTWBQYVMLI-IAGOWNOFSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)(C)C ZINC000342862394 285243642 /nfs/dbraw/zinc/24/36/42/285243642.db2.gz SSFZQTWBQYVMLI-IAGOWNOFSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(C)cccc1C ZINC000347395664 285243672 /nfs/dbraw/zinc/24/36/72/285243672.db2.gz HJNMXBMMBRPINJ-LJQANCHMSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1c(C)cccc1C ZINC000347395664 285243673 /nfs/dbraw/zinc/24/36/73/285243673.db2.gz HJNMXBMMBRPINJ-LJQANCHMSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sccc1OC ZINC000349062806 285250886 /nfs/dbraw/zinc/25/08/86/285250886.db2.gz OGXPVWKEJYRYAH-OAHLLOKOSA-N 1 3 325.522 2.605 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1sccc1OC ZINC000349062806 285250887 /nfs/dbraw/zinc/25/08/87/285250887.db2.gz OGXPVWKEJYRYAH-OAHLLOKOSA-N 1 3 325.522 2.605 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000457112400 255677536 /nfs/dbraw/zinc/67/75/36/255677536.db2.gz JIRIABACBGQBQS-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000457112400 255677537 /nfs/dbraw/zinc/67/75/37/255677537.db2.gz JIRIABACBGQBQS-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457112400 255677538 /nfs/dbraw/zinc/67/75/38/255677538.db2.gz JIRIABACBGQBQS-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N(CC)CC ZINC000458297930 255730581 /nfs/dbraw/zinc/73/05/81/255730581.db2.gz SCCRXECLUQLWHI-INIZCTEOSA-N 1 3 339.455 2.825 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000459643052 255911829 /nfs/dbraw/zinc/91/18/29/255911829.db2.gz TYQZVPJKSGBFRX-IBGZPJMESA-N 1 3 332.536 2.799 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000468013981 256013173 /nfs/dbraw/zinc/01/31/73/256013173.db2.gz MRAXCGADNLYLQD-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000468013981 256013175 /nfs/dbraw/zinc/01/31/75/256013175.db2.gz MRAXCGADNLYLQD-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(CC)CCC[NH+](C)C)N(C)C)cc1 ZINC000468445868 256016156 /nfs/dbraw/zinc/01/61/56/256016156.db2.gz CCJHTXBDSCIWKO-LJQANCHMSA-N 1 3 348.535 2.835 20 0 EFADHO CC[C@H](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000466157792 256000366 /nfs/dbraw/zinc/00/03/66/256000366.db2.gz AJXTXYQMEPRYNP-OKZBNKHCSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000466157792 256000368 /nfs/dbraw/zinc/00/03/68/256000368.db2.gz AJXTXYQMEPRYNP-OKZBNKHCSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000466157788 256000788 /nfs/dbraw/zinc/00/07/88/256000788.db2.gz AJXTXYQMEPRYNP-BZSNNMDCSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](C)C[C@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000466157788 256000789 /nfs/dbraw/zinc/00/07/89/256000789.db2.gz AJXTXYQMEPRYNP-BZSNNMDCSA-N 1 3 340.556 2.869 20 0 EFADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000118775615 221180145 /nfs/dbraw/zinc/18/01/45/221180145.db2.gz YABMHQHTNHNYIV-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO COCCCN1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000118995937 221219023 /nfs/dbraw/zinc/21/90/23/221219023.db2.gz HJHZAZLEPCHPMD-UHFFFAOYSA-N 1 3 332.488 2.991 20 0 EFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000263207215 285330812 /nfs/dbraw/zinc/33/08/12/285330812.db2.gz JVHYRCDVNBTLHO-SLBVQIDZSA-N 1 3 328.378 2.511 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000155599750 285335752 /nfs/dbraw/zinc/33/57/52/285335752.db2.gz BWYKQZUSINEPKP-CRAIPNDOSA-N 1 3 335.467 2.655 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000092253799 285338606 /nfs/dbraw/zinc/33/86/06/285338606.db2.gz GXNSGVWAPFSWDC-LJQANCHMSA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000092253799 285338607 /nfs/dbraw/zinc/33/86/07/285338607.db2.gz GXNSGVWAPFSWDC-LJQANCHMSA-N 1 3 344.547 2.602 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000154273904 533649780 /nfs/dbraw/zinc/64/97/80/533649780.db2.gz ZUESDMGBMQQHAO-AGIUHOORSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000154273904 533649785 /nfs/dbraw/zinc/64/97/85/533649785.db2.gz ZUESDMGBMQQHAO-AGIUHOORSA-N 1 3 347.286 2.805 20 0 EFADHO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000182768857 141376257 /nfs/dbraw/zinc/37/62/57/141376257.db2.gz XXTSCQTXXHMMGW-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCCCC1 ZINC000344730963 142068856 /nfs/dbraw/zinc/06/88/56/142068856.db2.gz ZEZWOCGZCHMROD-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCCCC1 ZINC000344730963 142068858 /nfs/dbraw/zinc/06/88/58/142068858.db2.gz ZEZWOCGZCHMROD-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)N(CC)CC ZINC000345987721 142128993 /nfs/dbraw/zinc/12/89/93/142128993.db2.gz UEYQEAAYXURVSU-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346266925 142179813 /nfs/dbraw/zinc/17/98/13/142179813.db2.gz BLCRCGQTRBXUGO-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000347514336 142229205 /nfs/dbraw/zinc/22/92/05/142229205.db2.gz FSZFPIMQYHHEOC-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000347514336 142229206 /nfs/dbraw/zinc/22/92/06/142229206.db2.gz FSZFPIMQYHHEOC-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc2c(c1)CNC2 ZINC000347521625 142230585 /nfs/dbraw/zinc/23/05/85/142230585.db2.gz JULCTKZDJAJPQG-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347521986 142230651 /nfs/dbraw/zinc/23/06/51/142230651.db2.gz PBKGTSVTCGNELK-UHFFFAOYSA-N 1 3 329.488 2.778 20 0 EFADHO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)CNC2 ZINC000347536731 142232373 /nfs/dbraw/zinc/23/23/73/142232373.db2.gz QVRBGRQBYIPEOL-UHFFFAOYSA-N 1 3 341.430 2.633 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548465 142234324 /nfs/dbraw/zinc/23/43/24/142234324.db2.gz GTRYGKPRYMTEET-IERDGZPVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548465 142234325 /nfs/dbraw/zinc/23/43/25/142234325.db2.gz GTRYGKPRYMTEET-IERDGZPVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548473 142234462 /nfs/dbraw/zinc/23/44/62/142234462.db2.gz GTRYGKPRYMTEET-KKSFZXQISA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548473 142234463 /nfs/dbraw/zinc/23/44/63/142234463.db2.gz GTRYGKPRYMTEET-KKSFZXQISA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@@H](C)O1 ZINC000347744350 142265580 /nfs/dbraw/zinc/26/55/80/142265580.db2.gz SJXYAVNQJBWGDT-IAGOWNOFSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000347930022 142294922 /nfs/dbraw/zinc/29/49/22/142294922.db2.gz KBKIBWNYONAVEP-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347930022 142294923 /nfs/dbraw/zinc/29/49/23/142294923.db2.gz KBKIBWNYONAVEP-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000347930025 142295116 /nfs/dbraw/zinc/29/51/16/142295116.db2.gz KBKIBWNYONAVEP-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347930025 142295117 /nfs/dbraw/zinc/29/51/17/142295117.db2.gz KBKIBWNYONAVEP-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO O[C@H](CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000349331603 142321901 /nfs/dbraw/zinc/32/19/01/142321901.db2.gz MAFLETLDJQYMHI-MWDXBVQZSA-N 1 3 342.405 2.800 20 0 EFADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000349574461 142338032 /nfs/dbraw/zinc/33/80/32/142338032.db2.gz JNOFFQQVOVPZIG-WMZOPIPTSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000349745761 142353995 /nfs/dbraw/zinc/35/39/95/142353995.db2.gz PGCRYTURQPFCRH-MSOLQXFVSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)OCC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000349859223 142369272 /nfs/dbraw/zinc/36/92/72/142369272.db2.gz ZGRHOKKXZLKBDR-FQEVSTJZSA-N 1 3 349.519 2.796 20 0 EFADHO CC(C)OCC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000349859223 142369273 /nfs/dbraw/zinc/36/92/73/142369273.db2.gz ZGRHOKKXZLKBDR-FQEVSTJZSA-N 1 3 349.519 2.796 20 0 EFADHO CC(C)OCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349882706 142373138 /nfs/dbraw/zinc/37/31/38/142373138.db2.gz NCESCPPXQPSMOJ-VQTJNVASSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)OCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349882706 142373139 /nfs/dbraw/zinc/37/31/39/142373139.db2.gz NCESCPPXQPSMOJ-VQTJNVASSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N(C)C ZINC000349933691 142380533 /nfs/dbraw/zinc/38/05/33/142380533.db2.gz IQYOSCIWXXPKJS-LPHOPBHVSA-N 1 3 347.503 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N(C)C ZINC000349933691 142380536 /nfs/dbraw/zinc/38/05/36/142380536.db2.gz IQYOSCIWXXPKJS-LPHOPBHVSA-N 1 3 347.503 2.932 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000352339157 142468740 /nfs/dbraw/zinc/46/87/40/142468740.db2.gz ADGCMDSLLHOERY-JZXOWHBKSA-N 1 3 334.508 2.626 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000339242175 144722912 /nfs/dbraw/zinc/72/29/12/144722912.db2.gz ZMRBMHQVWIQLIN-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@H]1CCCC[C@@H]1OCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341153896 145002553 /nfs/dbraw/zinc/00/25/53/145002553.db2.gz CZZUTMDGLCANTN-HKUYNNGSSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@H]1CCCC[C@@H]1OCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341153896 145002554 /nfs/dbraw/zinc/00/25/54/145002554.db2.gz CZZUTMDGLCANTN-HKUYNNGSSA-N 1 3 325.541 2.540 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1C ZINC000341194923 145010267 /nfs/dbraw/zinc/01/02/67/145010267.db2.gz RYPSKIVWARIOMG-LJQANCHMSA-N 1 3 334.504 2.625 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000341205037 145012490 /nfs/dbraw/zinc/01/24/90/145012490.db2.gz QGVKTQHGQOIXJG-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000341228060 145017351 /nfs/dbraw/zinc/01/73/51/145017351.db2.gz JWMNWRRVOILAGF-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccc(Cl)cc3F)C[C@H]21 ZINC000342100367 145062341 /nfs/dbraw/zinc/06/23/41/145062341.db2.gz JXPBCFPZDGWCAP-UXIGCNINSA-N 1 3 339.842 2.867 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000342112417 145064313 /nfs/dbraw/zinc/06/43/13/145064313.db2.gz VXRSFPOSSSKPGN-YESZJQIVSA-N 1 3 326.444 2.728 20 0 EFADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342722012 145179284 /nfs/dbraw/zinc/17/92/84/145179284.db2.gz AOPIDGPKOLGMJR-VQIMIIECSA-N 1 3 341.499 2.537 20 0 EFADHO CN(C(=O)[C@@H]1CCCCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342791816 145194567 /nfs/dbraw/zinc/19/45/67/145194567.db2.gz UVMCATRYXVEYGB-SWDXFRIISA-N 1 3 333.520 2.867 20 0 EFADHO CN(C(=O)[C@@H]1CCCCN1C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342791816 145194570 /nfs/dbraw/zinc/19/45/70/145194570.db2.gz UVMCATRYXVEYGB-SWDXFRIISA-N 1 3 333.520 2.867 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342814359 145199641 /nfs/dbraw/zinc/19/96/41/145199641.db2.gz WHMWTBNKYZTNOK-IIBYNOLFSA-N 1 3 343.515 2.732 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000343576246 145243019 /nfs/dbraw/zinc/24/30/19/145243019.db2.gz SYQMELMPCOSCRJ-OAQYLSRUSA-N 1 3 345.531 2.601 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000343576245 145243077 /nfs/dbraw/zinc/24/30/77/145243077.db2.gz SYQMELMPCOSCRJ-NRFANRHFSA-N 1 3 345.531 2.601 20 0 EFADHO C[NH+](C)CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000343818604 145301766 /nfs/dbraw/zinc/30/17/66/145301766.db2.gz OBVCUWNQXGBHQD-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871892 145313563 /nfs/dbraw/zinc/31/35/63/145313563.db2.gz IWVHQRAFINKZPA-DYESRHJHSA-N 1 3 327.516 2.633 20 0 EFADHO C[C@@H](Cc1ccccc1F)NCc1ccncc1OCC[NH+](C)C ZINC000343975242 145336866 /nfs/dbraw/zinc/33/68/66/145336866.db2.gz GXAPGDJEAVYWHC-HNNXBMFYSA-N 1 3 331.435 2.882 20 0 EFADHO CC(C)O[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344124531 145373889 /nfs/dbraw/zinc/37/38/89/145373889.db2.gz XDHVNAWPCDLCCP-QZTJIDSGSA-N 1 3 335.492 2.704 20 0 EFADHO CCC[N@@H+](CCc1ccc2c(c1)CCO2)CCN1CCN(CC)CC1 ZINC000344142712 145378259 /nfs/dbraw/zinc/37/82/59/145378259.db2.gz LXKSDOQPOFTQCQ-UHFFFAOYSA-N 1 3 345.531 2.514 20 0 EFADHO CCC[N@H+](CCc1ccc2c(c1)CCO2)CCN1CCN(CC)CC1 ZINC000344142712 145378260 /nfs/dbraw/zinc/37/82/60/145378260.db2.gz LXKSDOQPOFTQCQ-UHFFFAOYSA-N 1 3 345.531 2.514 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H](C)C1 ZINC000346793577 145722280 /nfs/dbraw/zinc/72/22/80/145722280.db2.gz LRFIKMDYEKPNQI-UMGGQSCQSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000348820323 146008507 /nfs/dbraw/zinc/00/85/07/146008507.db2.gz RQTDIXZTENPWAI-INIZCTEOSA-N 1 3 332.492 2.787 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCCOc3ccccc3)CC2)CC1 ZINC000348846982 146013072 /nfs/dbraw/zinc/01/30/72/146013072.db2.gz HCDSAHSLTOEDMZ-UHFFFAOYSA-N 1 3 345.531 2.805 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(F)cccc1F ZINC000349037222 146040156 /nfs/dbraw/zinc/04/01/56/146040156.db2.gz RFEXPXNPZJGWPT-OAHLLOKOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c(F)cccc1F ZINC000349037222 146040159 /nfs/dbraw/zinc/04/01/59/146040159.db2.gz RFEXPXNPZJGWPT-OAHLLOKOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000349061710 146045662 /nfs/dbraw/zinc/04/56/62/146045662.db2.gz JNLMLNHJOMCTPO-MRXNPFEDSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000349061710 146045663 /nfs/dbraw/zinc/04/56/63/146045663.db2.gz JNLMLNHJOMCTPO-MRXNPFEDSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1C(C)(C)C ZINC000349065156 146046596 /nfs/dbraw/zinc/04/65/96/146046596.db2.gz XWVWJHXRBRCWGE-QGZVFWFLSA-N 1 3 335.540 2.555 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1c[nH]nc1C(C)(C)C ZINC000349065156 146046598 /nfs/dbraw/zinc/04/65/98/146046598.db2.gz XWVWJHXRBRCWGE-QGZVFWFLSA-N 1 3 335.540 2.555 20 0 EFADHO C[C@@H]1CN(Cc2cccc3cc[nH]c32)CC[N@@H+]1C1CCN(C)CC1 ZINC000349315613 146078510 /nfs/dbraw/zinc/07/85/10/146078510.db2.gz LPUBREXVUJFLBU-MRXNPFEDSA-N 1 3 326.488 2.768 20 0 EFADHO C[C@@H]1CN(Cc2cccc3cc[nH]c32)CC[N@H+]1C1CCN(C)CC1 ZINC000349315613 146078512 /nfs/dbraw/zinc/07/85/12/146078512.db2.gz LPUBREXVUJFLBU-MRXNPFEDSA-N 1 3 326.488 2.768 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000351168340 146114641 /nfs/dbraw/zinc/11/46/41/146114641.db2.gz PTSYKKZEANAXAA-MRXNPFEDSA-N 1 3 346.519 2.620 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351490138 146129804 /nfs/dbraw/zinc/12/98/04/146129804.db2.gz IFMIDPCTGJYQJC-TUKIKUTGSA-N 1 3 341.377 2.703 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000351496414 146131798 /nfs/dbraw/zinc/13/17/98/146131798.db2.gz RRYFLTQVFURGET-AEGPPILISA-N 1 3 332.835 2.602 20 0 EFADHO CC[N@@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000351719307 146186830 /nfs/dbraw/zinc/18/68/30/146186830.db2.gz LUOLFCYPAXJNDM-WOJBJXKFSA-N 1 3 344.547 2.613 20 0 EFADHO CC[N@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000351719307 146186831 /nfs/dbraw/zinc/18/68/31/146186831.db2.gz LUOLFCYPAXJNDM-WOJBJXKFSA-N 1 3 344.547 2.613 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351760458 146196806 /nfs/dbraw/zinc/19/68/06/146196806.db2.gz SXFBTHLWAJSONT-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351760458 146196807 /nfs/dbraw/zinc/19/68/07/146196807.db2.gz SXFBTHLWAJSONT-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000351816918 146209451 /nfs/dbraw/zinc/20/94/51/146209451.db2.gz VGYXFAAAJDEIKM-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000351816918 146209452 /nfs/dbraw/zinc/20/94/52/146209452.db2.gz VGYXFAAAJDEIKM-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352130001 146296357 /nfs/dbraw/zinc/29/63/57/146296357.db2.gz FCPABDMCGFFAMC-IYBDPMFKSA-N 1 3 345.487 2.979 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352130001 146296359 /nfs/dbraw/zinc/29/63/59/146296359.db2.gz FCPABDMCGFFAMC-IYBDPMFKSA-N 1 3 345.487 2.979 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352130704 146296790 /nfs/dbraw/zinc/29/67/90/146296790.db2.gz JQECABVKBDUJBW-GJZGRUSLSA-N 1 3 328.451 2.996 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352132087 146297427 /nfs/dbraw/zinc/29/74/27/146297427.db2.gz YXEAHWPFTRKDHO-HNNXBMFYSA-N 1 3 331.460 2.733 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352132087 146297429 /nfs/dbraw/zinc/29/74/29/146297429.db2.gz YXEAHWPFTRKDHO-HNNXBMFYSA-N 1 3 331.460 2.733 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCNc1cccc(Br)c1 ZINC000352969335 146362143 /nfs/dbraw/zinc/36/21/43/146362143.db2.gz RLNIQAQEBJCNBL-IUODEOHRSA-N 1 3 326.282 2.791 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCNc1cccc(Br)c1 ZINC000352969335 146362144 /nfs/dbraw/zinc/36/21/44/146362144.db2.gz RLNIQAQEBJCNBL-IUODEOHRSA-N 1 3 326.282 2.791 20 0 EFADHO CC[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000352977584 146364168 /nfs/dbraw/zinc/36/41/68/146364168.db2.gz QTXAYXJDUINWTH-KRWDZBQOSA-N 1 3 331.504 2.570 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000356180800 147169374 /nfs/dbraw/zinc/16/93/74/147169374.db2.gz KSYMFDRJKZEUFT-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000356298448 147204200 /nfs/dbraw/zinc/20/42/00/147204200.db2.gz CMDXKNLAJCUQKS-ZWKOTPCHSA-N 1 3 331.504 2.733 20 0 EFADHO CN(C)CCN(C)CCC[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000356348436 147219632 /nfs/dbraw/zinc/21/96/32/147219632.db2.gz VTBZPKRBSITHSQ-UHFFFAOYSA-N 1 3 329.891 2.837 20 0 EFADHO CN(C)CCN(C)CCC[N@H+](C)CCc1ccc(F)cc1Cl ZINC000356348436 147219631 /nfs/dbraw/zinc/21/96/31/147219631.db2.gz VTBZPKRBSITHSQ-UHFFFAOYSA-N 1 3 329.891 2.837 20 0 EFADHO C[NH+](C)CCc1ccc(NC(=O)[C@H](CN)c2ccc(F)cc2)cc1 ZINC000358858662 147920576 /nfs/dbraw/zinc/92/05/76/147920576.db2.gz OXPUPNHGXOVUKY-GOSISDBHSA-N 1 3 329.419 2.611 20 0 EFADHO Cc1ccc2oc(N3CCN(CCC4CC[NH2+]CC4)CC3)nc2c1 ZINC000359216098 148026362 /nfs/dbraw/zinc/02/63/62/148026362.db2.gz KZWVUELJKFMYFT-UHFFFAOYSA-N 1 3 328.460 2.648 20 0 EFADHO Clc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)s1 ZINC000359219363 148027082 /nfs/dbraw/zinc/02/70/82/148027082.db2.gz UVRRAJDGYFJDRG-UHFFFAOYSA-N 1 3 327.925 2.909 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359223190 148028218 /nfs/dbraw/zinc/02/82/18/148028218.db2.gz HQYWYTUWTFVVMZ-GOSISDBHSA-N 1 3 344.503 2.516 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCCCC2)[C@@H](C)C1 ZINC000359684456 148162281 /nfs/dbraw/zinc/16/22/81/148162281.db2.gz YIEBOXXPSTUVMW-OALUTQOASA-N 1 3 325.541 2.589 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359717385 148170331 /nfs/dbraw/zinc/17/03/31/148170331.db2.gz UYIUYUCWOBGWNS-RBUKOAKNSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359717385 148170334 /nfs/dbraw/zinc/17/03/34/148170334.db2.gz UYIUYUCWOBGWNS-RBUKOAKNSA-N 1 3 331.504 2.745 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000359871646 148212155 /nfs/dbraw/zinc/21/21/55/148212155.db2.gz JDVFYTWYYGWDBX-BGYRXZFFSA-N 1 3 337.552 2.684 20 0 EFADHO CC[C@H](C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)N(CC)CC ZINC000359888368 148216048 /nfs/dbraw/zinc/21/60/48/148216048.db2.gz DTTMYLKILFJOID-MRXNPFEDSA-N 1 3 335.496 2.517 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000359944226 148230724 /nfs/dbraw/zinc/23/07/24/148230724.db2.gz UJCXUSFLZGMORB-MUGJNUQGSA-N 1 3 339.568 2.976 20 0 EFADHO C[N@H+](CCOc1cc(F)cc(Br)c1)[C@H](CN)C1CC1 ZINC000360000376 148246130 /nfs/dbraw/zinc/24/61/30/148246130.db2.gz KVGLOPIUMBECHD-CQSZACIVSA-N 1 3 331.229 2.636 20 0 EFADHO C[N@@H+](CCOc1cc(F)cc(Br)c1)[C@H](CN)C1CC1 ZINC000360000376 148246131 /nfs/dbraw/zinc/24/61/31/148246131.db2.gz KVGLOPIUMBECHD-CQSZACIVSA-N 1 3 331.229 2.636 20 0 EFADHO c1cc2c(cc1CCN1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000360014919 148250316 /nfs/dbraw/zinc/25/03/16/148250316.db2.gz FWXQXMLEFBGUOZ-HKUYNNGSSA-N 1 3 342.483 2.949 20 0 EFADHO c1cc2c(cc1CCN1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000360014919 148250318 /nfs/dbraw/zinc/25/03/18/148250318.db2.gz FWXQXMLEFBGUOZ-HKUYNNGSSA-N 1 3 342.483 2.949 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](COC)CC(C)C)CC1 ZINC000360022378 148252688 /nfs/dbraw/zinc/25/26/88/148252688.db2.gz HWZFDNQHKACCMC-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000365870938 286024012 /nfs/dbraw/zinc/02/40/12/286024012.db2.gz FHTCEISCBDYPIZ-POAQFYNOSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000360244062 148309604 /nfs/dbraw/zinc/30/96/04/148309604.db2.gz ZAEIJUWPXMFXQQ-OXQOHEQNSA-N 1 3 325.456 2.856 20 0 EFADHO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414194068 292195286 /nfs/dbraw/zinc/19/52/86/292195286.db2.gz NADUBWHUEOSTBQ-MRXNPFEDSA-N 1 3 337.533 2.504 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(OCCN(C)C)c1 ZINC000363759064 149008367 /nfs/dbraw/zinc/00/83/67/149008367.db2.gz TYYCJTOSCAWWLN-PBHICJAKSA-N 1 3 328.460 2.558 20 0 EFADHO CCc1nc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000363821859 149015447 /nfs/dbraw/zinc/01/54/47/149015447.db2.gz OBMCSTUNVFHWMZ-UHFFFAOYSA-N 1 3 339.487 2.855 20 0 EFADHO CCc1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000363821859 149015449 /nfs/dbraw/zinc/01/54/49/149015449.db2.gz OBMCSTUNVFHWMZ-UHFFFAOYSA-N 1 3 339.487 2.855 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746424 292199986 /nfs/dbraw/zinc/19/99/86/292199986.db2.gz HYLDUZOCRWKHAR-VDZJLULYSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746424 292199987 /nfs/dbraw/zinc/19/99/87/292199987.db2.gz HYLDUZOCRWKHAR-VDZJLULYSA-N 1 3 344.503 2.522 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000364328492 149126129 /nfs/dbraw/zinc/12/61/29/149126129.db2.gz CNNYABXBPZIQHW-ZMSDIMECSA-N 1 3 325.566 2.665 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000367997840 150006212 /nfs/dbraw/zinc/00/62/12/150006212.db2.gz NNWKIAMVFJLPKN-KBXCAEBGSA-N 1 3 348.462 2.912 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)CC3CCN(C)CC3)CC2)CC1 ZINC000368061803 150024681 /nfs/dbraw/zinc/02/46/81/150024681.db2.gz IPZNLDFVPBSADE-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO NC[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000368114135 150041768 /nfs/dbraw/zinc/04/17/68/150041768.db2.gz WICMGVYQPIPWEH-ZCNNSNEGSA-N 1 3 337.467 2.592 20 0 EFADHO COCc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000368220973 150068940 /nfs/dbraw/zinc/06/89/40/150068940.db2.gz MRZLCWOVPPCJRZ-UHFFFAOYSA-N 1 3 345.531 2.683 20 0 EFADHO COc1ccc(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000368824239 150214512 /nfs/dbraw/zinc/21/45/12/150214512.db2.gz KVQBWVINCHQCDL-UHFFFAOYSA-N 1 3 345.531 2.587 20 0 EFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000354509913 286179552 /nfs/dbraw/zinc/17/95/52/286179552.db2.gz LOKHNPPUPINCSO-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1 ZINC000372530884 151023101 /nfs/dbraw/zinc/02/31/01/151023101.db2.gz ISXKNUXABJPLSD-CVEARBPZSA-N 1 3 334.464 2.630 20 0 EFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000372689079 151046970 /nfs/dbraw/zinc/04/69/70/151046970.db2.gz JOAPOZYCOYUCCZ-NYLDSWQDSA-N 1 3 344.499 2.835 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000373564615 151190973 /nfs/dbraw/zinc/19/09/73/151190973.db2.gz ZEJPBPVPSFZGJT-LJIGWXMPSA-N 1 3 335.517 2.635 20 0 EFADHO CCn1nccc1CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373755281 151221189 /nfs/dbraw/zinc/22/11/89/151221189.db2.gz WBFNUHHMFGXROJ-ROUUACIJSA-N 1 3 348.535 2.657 20 0 EFADHO CCn1nccc1CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373755280 151221496 /nfs/dbraw/zinc/22/14/96/151221496.db2.gz WBFNUHHMFGXROJ-QZTJIDSGSA-N 1 3 348.535 2.657 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000373844486 151235777 /nfs/dbraw/zinc/23/57/77/151235777.db2.gz ZDUAUPVPJIKWPM-UYAOXDASSA-N 1 3 338.499 2.952 20 0 EFADHO COC(=O)c1ccc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1F ZINC000374180118 151297092 /nfs/dbraw/zinc/29/70/92/151297092.db2.gz YWMXLXKOQIFKAC-UHFFFAOYSA-N 1 3 334.435 2.920 20 0 EFADHO CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374253140 151308962 /nfs/dbraw/zinc/30/89/62/151308962.db2.gz FGGSBTCDFMMCOJ-FXAWDEMLSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374253140 151308963 /nfs/dbraw/zinc/30/89/63/151308963.db2.gz FGGSBTCDFMMCOJ-FXAWDEMLSA-N 1 3 331.504 2.543 20 0 EFADHO CSc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374299998 151317466 /nfs/dbraw/zinc/31/74/66/151317466.db2.gz ZXSLQAKPPTTXSI-VQIMIIECSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374299998 151317470 /nfs/dbraw/zinc/31/74/70/151317470.db2.gz ZXSLQAKPPTTXSI-VQIMIIECSA-N 1 3 333.545 2.866 20 0 EFADHO CCc1cccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323300 151323067 /nfs/dbraw/zinc/32/30/67/151323067.db2.gz HFYTYXOVQNKGOI-NQIIRXRSSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323300 151323069 /nfs/dbraw/zinc/32/30/69/151323069.db2.gz HFYTYXOVQNKGOI-NQIIRXRSSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323300 151323071 /nfs/dbraw/zinc/32/30/71/151323071.db2.gz HFYTYXOVQNKGOI-NQIIRXRSSA-N 1 3 345.531 2.586 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374325875 151323795 /nfs/dbraw/zinc/32/37/95/151323795.db2.gz CUESXFKJYJSLFD-UYAOXDASSA-N 1 3 330.520 2.725 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000374382473 151336799 /nfs/dbraw/zinc/33/67/99/151336799.db2.gz AMSSFCDJRBACPU-HXUWFJFHSA-N 1 3 344.499 2.692 20 0 EFADHO Cc1cnn(CCCCCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374420594 151345039 /nfs/dbraw/zinc/34/50/39/151345039.db2.gz LZXKTYAKKRDZJS-CEXWTWQISA-N 1 3 334.508 2.545 20 0 EFADHO Fc1ccc(CCN2CCC([NH2+][C@@H]3CCc4cn[nH]c4C3)CC2)cc1 ZINC000374469558 151353514 /nfs/dbraw/zinc/35/35/14/151353514.db2.gz RKAYIWVRHMKKOE-LJQANCHMSA-N 1 3 342.462 2.703 20 0 EFADHO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000374530143 151363361 /nfs/dbraw/zinc/36/33/61/151363361.db2.gz ZZGDKEITOOHQOY-XKGZKEIXSA-N 1 3 348.487 2.616 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(CC)CC ZINC000344091271 286283293 /nfs/dbraw/zinc/28/32/93/286283293.db2.gz DEBJPTZMYIAAII-KZNAEPCWSA-N 1 3 326.525 2.653 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]CCCN2CCCCC2)c2ccccc2C1 ZINC000378502616 152102374 /nfs/dbraw/zinc/10/23/74/152102374.db2.gz WDKDXXLATCMAHJ-HXUWFJFHSA-N 1 3 329.488 2.946 20 0 EFADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CC2 ZINC000378509343 152104600 /nfs/dbraw/zinc/10/46/00/152104600.db2.gz ABIFROTUMICCMA-IBGZPJMESA-N 1 3 341.499 2.738 20 0 EFADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CC2 ZINC000378509343 152104603 /nfs/dbraw/zinc/10/46/03/152104603.db2.gz ABIFROTUMICCMA-IBGZPJMESA-N 1 3 341.499 2.738 20 0 EFADHO C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1=CCN(C)CC1 ZINC000378566190 152116281 /nfs/dbraw/zinc/11/62/81/152116281.db2.gz LAKUKDNYVJUBAD-INIZCTEOSA-N 1 3 348.535 2.591 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(C)c1 ZINC000414195104 286904187 /nfs/dbraw/zinc/90/41/87/286904187.db2.gz NPYNZJLQWYPGAH-HXUWFJFHSA-N 1 3 345.531 2.832 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366902997 287002367 /nfs/dbraw/zinc/00/23/67/287002367.db2.gz MCWRXSOBQKJHQA-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000252491028 287008408 /nfs/dbraw/zinc/00/84/08/287008408.db2.gz LIVPWUZGYQLDFM-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1N(C)C ZINC000093945482 287013882 /nfs/dbraw/zinc/01/38/82/287013882.db2.gz YECYJVWBKIRNTC-IAGOWNOFSA-N 1 3 331.504 2.904 20 0 EFADHO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179279 287095695 /nfs/dbraw/zinc/09/56/95/287095695.db2.gz AFZABTWYTDSLBK-QRVBRYPASA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CC2(CN1Cc1ccc(Cl)cc1-n1cncn1)CC[NH2+]CC2 ZINC000424295838 287237466 /nfs/dbraw/zinc/23/74/66/287237466.db2.gz RIINIHFVSPCABM-CQSZACIVSA-N 1 3 345.878 2.885 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467020 287276290 /nfs/dbraw/zinc/27/62/90/287276290.db2.gz KIIVRVSTIDBTLO-IUODEOHRSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467020 287276291 /nfs/dbraw/zinc/27/62/91/287276291.db2.gz KIIVRVSTIDBTLO-IUODEOHRSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343922880 287300860 /nfs/dbraw/zinc/30/08/60/287300860.db2.gz LIOFSVZJCXFHHC-ZRNYENFQSA-N 1 3 337.552 2.540 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000353462469 287318226 /nfs/dbraw/zinc/31/82/26/287318226.db2.gz SSFJXQHIYQISCK-FHWLQOOXSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164573823 226084058 /nfs/dbraw/zinc/08/40/58/226084058.db2.gz OJVCMCJBRMYSQE-LPHOPBHVSA-N 1 3 345.487 2.626 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164573823 226084064 /nfs/dbraw/zinc/08/40/64/226084064.db2.gz OJVCMCJBRMYSQE-LPHOPBHVSA-N 1 3 345.487 2.626 20 0 EFADHO C[C@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCC1 ZINC000165266048 226116960 /nfs/dbraw/zinc/11/69/60/226116960.db2.gz NLAQVZASOJAJPT-ZIAGYGMSSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCC1 ZINC000165266048 226116965 /nfs/dbraw/zinc/11/69/65/226116965.db2.gz NLAQVZASOJAJPT-ZIAGYGMSSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCC1 ZINC000165265926 226118221 /nfs/dbraw/zinc/11/82/21/226118221.db2.gz NLAQVZASOJAJPT-KGLIPLIRSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCC1 ZINC000165265926 226118226 /nfs/dbraw/zinc/11/82/26/226118226.db2.gz NLAQVZASOJAJPT-KGLIPLIRSA-N 1 3 338.883 2.774 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000168763961 226223617 /nfs/dbraw/zinc/22/36/17/226223617.db2.gz OEYDPWPUUSDOSG-IBGZPJMESA-N 1 3 341.455 2.526 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169091219 226231022 /nfs/dbraw/zinc/23/10/22/226231022.db2.gz FRJOXLRKMSAADY-SJORKVTESA-N 1 3 345.487 2.926 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169090688 226232167 /nfs/dbraw/zinc/23/21/67/226232167.db2.gz COBFYCFBMBOLKD-CVEARBPZSA-N 1 3 331.460 2.536 20 0 EFADHO CN(c1ccccc1C[NH2+]CCc1cccnc1)C1CCN(C)CC1 ZINC000123089366 222213613 /nfs/dbraw/zinc/21/36/13/222213613.db2.gz KPMIITZOUIOKNW-UHFFFAOYSA-N 1 3 338.499 2.944 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCC(CCC[NH+](C)C)CC3)cc12 ZINC000123423302 222275343 /nfs/dbraw/zinc/27/53/43/222275343.db2.gz BEHVTNIAKYWVLL-UHFFFAOYSA-N 1 3 329.492 2.831 20 0 EFADHO Cc1noc([C@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC000091832258 544536548 /nfs/dbraw/zinc/53/65/48/544536548.db2.gz HZDZJEJQJPANOI-KRWDZBQOSA-N 1 3 344.459 2.698 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121058085 544592701 /nfs/dbraw/zinc/59/27/01/544592701.db2.gz SRCOPNQLKABJLA-IBGZPJMESA-N 1 3 337.458 2.959 20 0 EFADHO CCCN1CCC([NH2+]CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000124657753 544612325 /nfs/dbraw/zinc/61/23/25/544612325.db2.gz NWKAQKUMNXJFOB-UHFFFAOYSA-N 1 3 344.547 2.663 20 0 EFADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnn2)c1 ZINC000125855953 544619349 /nfs/dbraw/zinc/61/93/49/544619349.db2.gz GRBYEJPMRXUEOF-YOEHRIQHSA-N 1 3 330.480 2.679 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000131175073 544660945 /nfs/dbraw/zinc/66/09/45/544660945.db2.gz WRUSRHRJJJIMSB-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccccc2CN2CCCC2=O)CC1 ZINC000151400091 544709140 /nfs/dbraw/zinc/70/91/40/544709140.db2.gz NWEMQIKZZLKDPN-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166155373 544849958 /nfs/dbraw/zinc/84/99/58/544849958.db2.gz ZSFCAHPBXYXSMR-DLBZAZTESA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166155373 544849961 /nfs/dbraw/zinc/84/99/61/544849961.db2.gz ZSFCAHPBXYXSMR-DLBZAZTESA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166155373 544849966 /nfs/dbraw/zinc/84/99/66/544849966.db2.gz ZSFCAHPBXYXSMR-DLBZAZTESA-N 1 3 345.462 2.647 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178003676 544900906 /nfs/dbraw/zinc/90/09/06/544900906.db2.gz PGSSJBNGPDJCTH-KRWDZBQOSA-N 1 3 337.508 2.980 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCOCC2 ZINC000186213259 265058679 /nfs/dbraw/zinc/05/86/79/265058679.db2.gz PKAYRHXHCNPTIR-RBUKOAKNSA-N 1 3 332.488 2.812 20 0 EFADHO CCN1CCN(CCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186588767 265072118 /nfs/dbraw/zinc/07/21/18/265072118.db2.gz JZOIVWLRMDAMDT-UHFFFAOYSA-N 1 3 335.458 2.972 20 0 EFADHO C[NH+](C)CCC1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000188864465 265160392 /nfs/dbraw/zinc/16/03/92/265160392.db2.gz WTTXYOZHPOEZCB-UHFFFAOYSA-N 1 3 332.357 2.864 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000190097070 265208994 /nfs/dbraw/zinc/20/89/94/265208994.db2.gz HMWRJRYBYNLDCA-LJQANCHMSA-N 1 3 346.519 2.807 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191174491 265253332 /nfs/dbraw/zinc/25/33/32/265253332.db2.gz IFMRRNMHHBXGKQ-HOTGVXAUSA-N 1 3 335.540 2.623 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773576 265308226 /nfs/dbraw/zinc/30/82/26/265308226.db2.gz AAHPXXKEKMCBPS-RBUKOAKNSA-N 1 3 339.568 2.928 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773576 265308230 /nfs/dbraw/zinc/30/82/30/265308230.db2.gz AAHPXXKEKMCBPS-RBUKOAKNSA-N 1 3 339.568 2.928 20 0 EFADHO CC[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](CC)CC ZINC000269596021 265532128 /nfs/dbraw/zinc/53/21/28/265532128.db2.gz FAUAKMNEEVLSAQ-VQIMIIECSA-N 1 3 346.519 2.844 20 0 EFADHO C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000271665955 266036543 /nfs/dbraw/zinc/03/65/43/266036543.db2.gz HSDYFWKVENARDQ-VQIMIIECSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271865827 266082272 /nfs/dbraw/zinc/08/22/72/266082272.db2.gz LIOAZPAECYSYSX-INIZCTEOSA-N 1 3 340.471 2.912 20 0 EFADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272194586 266184741 /nfs/dbraw/zinc/18/47/41/266184741.db2.gz LALJNJWBIQBJCM-LSTDLKDCSA-N 1 3 331.504 2.790 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280922 266214505 /nfs/dbraw/zinc/21/45/05/266214505.db2.gz MSCPGURFNRYQSZ-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280922 266214508 /nfs/dbraw/zinc/21/45/08/266214508.db2.gz MSCPGURFNRYQSZ-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280926 266214832 /nfs/dbraw/zinc/21/48/32/266214832.db2.gz MSCPGURFNRYQSZ-WDSOQIARSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280926 266214837 /nfs/dbraw/zinc/21/48/37/266214837.db2.gz MSCPGURFNRYQSZ-WDSOQIARSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@H](C)O1 ZINC000272327743 266231072 /nfs/dbraw/zinc/23/10/72/266231072.db2.gz LVHRRSYQXHNONK-IRXDYDNUSA-N 1 3 332.488 2.500 20 0 EFADHO C[C@H]([NH2+]CCN(C)CC(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272554019 266304647 /nfs/dbraw/zinc/30/46/47/266304647.db2.gz FSKFHDLFGSQSQD-DOTOQJQBSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@H](NCCN(C)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554019 266304649 /nfs/dbraw/zinc/30/46/49/266304649.db2.gz FSKFHDLFGSQSQD-DOTOQJQBSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@H](NCCN(C)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554019 266304652 /nfs/dbraw/zinc/30/46/52/266304652.db2.gz FSKFHDLFGSQSQD-DOTOQJQBSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000272653342 266341470 /nfs/dbraw/zinc/34/14/70/266341470.db2.gz KXUQSIKIOFAVGL-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000272700522 266355698 /nfs/dbraw/zinc/35/56/98/266355698.db2.gz RYYGKHHKDHJRNG-LWYYNNOASA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272700522 266355699 /nfs/dbraw/zinc/35/56/99/266355699.db2.gz RYYGKHHKDHJRNG-LWYYNNOASA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272700522 266355700 /nfs/dbraw/zinc/35/57/00/266355700.db2.gz RYYGKHHKDHJRNG-LWYYNNOASA-N 1 3 332.488 2.538 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272789685 266382609 /nfs/dbraw/zinc/38/26/09/266382609.db2.gz CFYHAZUOGYUAMH-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272789685 266382611 /nfs/dbraw/zinc/38/26/11/266382611.db2.gz CFYHAZUOGYUAMH-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO Cc1ccc2c(CC(=O)N(CCN(C)C)CC[NH+](C)C)coc2c1C ZINC000103212537 273000851 /nfs/dbraw/zinc/00/08/51/273000851.db2.gz KSFJHCCUSMRYRQ-UHFFFAOYSA-N 1 3 345.487 2.544 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@H](C)c1ccccc1 ZINC000275567741 266834376 /nfs/dbraw/zinc/83/43/76/266834376.db2.gz XQXYDAIKAJTDGU-BZZMCLGOSA-N 1 3 335.467 2.568 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108541418 273010233 /nfs/dbraw/zinc/01/02/33/273010233.db2.gz RCOCARDHIFSJCQ-HKUYNNGSSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108541418 273010234 /nfs/dbraw/zinc/01/02/34/273010234.db2.gz RCOCARDHIFSJCQ-HKUYNNGSSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108541421 273010264 /nfs/dbraw/zinc/01/02/64/273010264.db2.gz RCOCARDHIFSJCQ-PKOBYXMFSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108541421 273010265 /nfs/dbraw/zinc/01/02/65/273010265.db2.gz RCOCARDHIFSJCQ-PKOBYXMFSA-N 1 3 346.519 2.711 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OCC3CC3)cc2)CC1 ZINC000276648033 267029713 /nfs/dbraw/zinc/02/97/13/267029713.db2.gz SNQVRJCJSQECAG-UHFFFAOYSA-N 1 3 332.488 2.800 20 0 EFADHO CC[NH+](CC)CCCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000276894124 267070630 /nfs/dbraw/zinc/07/06/30/267070630.db2.gz KPCXQKZBWYTQBS-UHFFFAOYSA-N 1 3 331.504 2.955 20 0 EFADHO CCN(CC)CCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000276894124 267070633 /nfs/dbraw/zinc/07/06/33/267070633.db2.gz KPCXQKZBWYTQBS-UHFFFAOYSA-N 1 3 331.504 2.955 20 0 EFADHO CCN(CC)CCC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000276894124 267070637 /nfs/dbraw/zinc/07/06/37/267070637.db2.gz KPCXQKZBWYTQBS-UHFFFAOYSA-N 1 3 331.504 2.955 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000277246197 267137810 /nfs/dbraw/zinc/13/78/10/267137810.db2.gz NPZOMPSDHXDYLE-OTWHNJEPSA-N 1 3 334.529 2.873 20 0 EFADHO CC(C)N(C)c1ccc(C[NH2+]CCCN2CCCO[C@H](C)C2)cn1 ZINC000277701321 267239090 /nfs/dbraw/zinc/23/90/90/267239090.db2.gz IAMWWHWKPLVBEM-QGZVFWFLSA-N 1 3 334.508 2.517 20 0 EFADHO CC(C)(C)OC(=O)NCCC[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000278307190 267397096 /nfs/dbraw/zinc/39/70/96/267397096.db2.gz DOTKVHUEHDTWQH-UHFFFAOYSA-N 1 3 348.491 2.802 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000173343854 273024704 /nfs/dbraw/zinc/02/47/04/273024704.db2.gz QARZVJVQMUWTPI-HOTGVXAUSA-N 1 3 325.497 2.755 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000174016002 273027117 /nfs/dbraw/zinc/02/71/17/273027117.db2.gz DYDZBTDWQRBCPI-HDICACEKSA-N 1 3 343.515 2.948 20 0 EFADHO CN(CCCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000175633265 273030027 /nfs/dbraw/zinc/03/00/27/273030027.db2.gz GSTYFAFDZIFEDL-RTBURBONSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000187748962 273052460 /nfs/dbraw/zinc/05/24/60/273052460.db2.gz WBEIWJDSRBZLBM-NVXWUHKLSA-N 1 3 337.508 2.874 20 0 EFADHO CC[N@H+]1CC[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000187748962 273052461 /nfs/dbraw/zinc/05/24/61/273052461.db2.gz WBEIWJDSRBZLBM-NVXWUHKLSA-N 1 3 337.508 2.874 20 0 EFADHO CN(CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000193856276 273065955 /nfs/dbraw/zinc/06/59/55/273065955.db2.gz HXULDAZLSMURTI-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237561967 273071545 /nfs/dbraw/zinc/07/15/45/273071545.db2.gz GWJXXMHEJWXVED-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262665995 273075324 /nfs/dbraw/zinc/07/53/24/273075324.db2.gz JZTUPXNNEOWICX-NTDBWNAOSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262665995 273075325 /nfs/dbraw/zinc/07/53/25/273075325.db2.gz JZTUPXNNEOWICX-NTDBWNAOSA-N 1 3 331.504 2.807 20 0 EFADHO Cc1nc([C@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000269437925 273079999 /nfs/dbraw/zinc/07/99/99/273079999.db2.gz RVHPOIQWJIJSQL-HNNXBMFYSA-N 1 3 345.516 2.709 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000269478856 273080944 /nfs/dbraw/zinc/08/09/44/273080944.db2.gz ZLYNLGFCDPQWCF-CTNGQTDRSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1ccncc1[C@@H](C)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000271574449 273106277 /nfs/dbraw/zinc/10/62/77/273106277.db2.gz ZNIPYTDWSIZLQB-MRXNPFEDSA-N 1 3 340.471 2.532 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277207815 273151195 /nfs/dbraw/zinc/15/11/95/273151195.db2.gz WFMJUASYAZSBMA-HNBVOPMISA-N 1 3 347.572 2.922 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277207815 273151197 /nfs/dbraw/zinc/15/11/97/273151197.db2.gz WFMJUASYAZSBMA-HNBVOPMISA-N 1 3 347.572 2.922 20 0 EFADHO CCNC(=O)C1(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000277207723 273151297 /nfs/dbraw/zinc/15/12/97/273151297.db2.gz JZBGIMMNIBQGJI-MRXNPFEDSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc(OCCN(C)C)c1 ZINC000279007559 273165918 /nfs/dbraw/zinc/16/59/18/273165918.db2.gz SKHHJYRZQFKHDU-DLBZAZTESA-N 1 3 342.487 2.737 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000279537738 273225700 /nfs/dbraw/zinc/22/57/00/273225700.db2.gz WOPJNPKPOOTGNG-INIZCTEOSA-N 1 3 329.488 2.860 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000279640090 273237200 /nfs/dbraw/zinc/23/72/00/273237200.db2.gz ARGISRFVVWKOPD-IAGOWNOFSA-N 1 3 328.884 2.974 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000279770595 273251594 /nfs/dbraw/zinc/25/15/94/273251594.db2.gz SRBYODDMNUKZRQ-ABSDTBQOSA-N 1 3 332.488 2.541 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@@H]1C ZINC000279784001 273253077 /nfs/dbraw/zinc/25/30/77/273253077.db2.gz CGOXSFZIMWCALE-AYBZRNKSSA-N 1 3 348.487 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)[C@H]1C ZINC000279849676 273260521 /nfs/dbraw/zinc/26/05/21/273260521.db2.gz IGUUUAIDKXDKEJ-BQFCYCMXSA-N 1 3 348.487 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)[C@@H]1C ZINC000279994780 273278778 /nfs/dbraw/zinc/27/87/78/273278778.db2.gz RIOKASBCGFKTJT-AYBZRNKSSA-N 1 3 348.487 2.694 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280153341 273296715 /nfs/dbraw/zinc/29/67/15/273296715.db2.gz AMVFTRNJOHFWBW-HXUWFJFHSA-N 1 3 330.520 2.930 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H]1C ZINC000280359121 273319503 /nfs/dbraw/zinc/31/95/03/273319503.db2.gz RWZLWXATLWUDKA-IEZWGBDMSA-N 1 3 345.487 2.865 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280916612 273381031 /nfs/dbraw/zinc/38/10/31/273381031.db2.gz PKWXEBVRFXBNIY-CVEARBPZSA-N 1 3 333.867 2.883 20 0 EFADHO CN(C)C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000282833883 273625597 /nfs/dbraw/zinc/62/55/97/273625597.db2.gz JZSFQBYMSVFSMI-SFHVURJKSA-N 1 3 349.906 2.933 20 0 EFADHO C[NH+](C)CCCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000252483727 273794794 /nfs/dbraw/zinc/79/47/94/273794794.db2.gz FHKPXKVNOUHRPG-IBGZPJMESA-N 1 3 329.488 2.994 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284142883 273802448 /nfs/dbraw/zinc/80/24/48/273802448.db2.gz DHBHAIAIYDYGEH-TZMCWYRMSA-N 1 3 329.872 2.751 20 0 EFADHO CN(CCC(=O)N1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285466312 274004979 /nfs/dbraw/zinc/00/49/79/274004979.db2.gz KCBDDXFHJMINSQ-JWTNVVGKSA-N 1 3 327.472 2.523 20 0 EFADHO CN(CCC(=O)N1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285466312 274004981 /nfs/dbraw/zinc/00/49/81/274004981.db2.gz KCBDDXFHJMINSQ-JWTNVVGKSA-N 1 3 327.472 2.523 20 0 EFADHO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000285466318 274005005 /nfs/dbraw/zinc/00/50/05/274005005.db2.gz KCCIZHOLJCAZJY-MSOLQXFVSA-N 1 3 345.531 2.979 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1OC ZINC000285699114 274055875 /nfs/dbraw/zinc/05/58/75/274055875.db2.gz OYVWKVANMITNDF-MRXNPFEDSA-N 1 3 349.519 2.689 20 0 EFADHO CN(CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])Cc1ccccc1 ZINC000285859326 274089002 /nfs/dbraw/zinc/08/90/02/274089002.db2.gz ZOEJHJNHKCKQJN-VCWRXUFXSA-N 1 3 343.515 2.778 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000285883532 274093509 /nfs/dbraw/zinc/09/35/09/274093509.db2.gz CBWVEKXHWYNELB-JLYLLQBASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000286019967 274118646 /nfs/dbraw/zinc/11/86/46/274118646.db2.gz JTMMBZXLWMGHQY-ZDUSSCGKSA-N 1 3 345.409 2.723 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCCN(C)CC1)CCC2 ZINC000268914930 274132219 /nfs/dbraw/zinc/13/22/19/274132219.db2.gz UWQSRVUTHIXTQR-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000286476712 274209517 /nfs/dbraw/zinc/20/95/17/274209517.db2.gz KJTFXYOSEKNYDG-LPHOPBHVSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105068710 274221988 /nfs/dbraw/zinc/22/19/88/274221988.db2.gz YQULIXDPPFFLKI-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105068710 274221989 /nfs/dbraw/zinc/22/19/89/274221989.db2.gz YQULIXDPPFFLKI-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1 ZINC000286800787 274275621 /nfs/dbraw/zinc/27/56/21/274275621.db2.gz QUYUBWMRLPSKLW-UHFFFAOYSA-N 1 3 344.484 2.924 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000287055066 274331405 /nfs/dbraw/zinc/33/14/05/274331405.db2.gz KIVJFIVHVOMHAB-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000287055066 274331407 /nfs/dbraw/zinc/33/14/07/274331407.db2.gz KIVJFIVHVOMHAB-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000287114535 274346211 /nfs/dbraw/zinc/34/62/11/274346211.db2.gz KGCOXTHQIDSMLP-QFBILLFUSA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000287167379 274358559 /nfs/dbraw/zinc/35/85/59/274358559.db2.gz XBYIKQWQAQNADS-CRAIPNDOSA-N 1 3 330.476 2.839 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000287242987 274376579 /nfs/dbraw/zinc/37/65/79/274376579.db2.gz SXQZIEURCZLCQT-APWZRJJASA-N 1 3 346.519 2.850 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000289671074 274801685 /nfs/dbraw/zinc/80/16/85/274801685.db2.gz DLQSABCIJBHDQN-UHFFFAOYSA-N 1 3 347.478 2.640 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000418346857 275746017 /nfs/dbraw/zinc/74/60/17/275746017.db2.gz IBZAQAQSURNCJV-JLSDUUJJSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418381088 276021038 /nfs/dbraw/zinc/02/10/38/276021038.db2.gz KUJGIZAZZBXZCZ-YTQUADARSA-N 1 3 346.519 2.664 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422611695 276058003 /nfs/dbraw/zinc/05/80/03/276058003.db2.gz SNPCCDHASWASSA-CTWPCTMYSA-N 1 3 346.519 2.982 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262881514 276093135 /nfs/dbraw/zinc/09/31/35/276093135.db2.gz FOEVJKORBOUPIG-MRXNPFEDSA-N 1 3 335.517 2.561 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000344775028 276122840 /nfs/dbraw/zinc/12/28/40/276122840.db2.gz KPQPJZSQADQVJI-IEBWSBKVSA-N 1 3 346.519 2.805 20 0 EFADHO CC1CCC(O)(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000357672526 276191767 /nfs/dbraw/zinc/19/17/67/276191767.db2.gz BVDAYPAWMISSQQ-NRGCRIOASA-N 1 3 338.536 2.749 20 0 EFADHO CC1CCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422870800 276197977 /nfs/dbraw/zinc/19/79/77/276197977.db2.gz ZEAULNXMSNDMEE-ICSRJNTNSA-N 1 3 329.488 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000353880612 276203330 /nfs/dbraw/zinc/20/33/30/276203330.db2.gz JOLZCZTUQJLLSP-HKUYNNGSSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000353880612 276203331 /nfs/dbraw/zinc/20/33/31/276203331.db2.gz JOLZCZTUQJLLSP-HKUYNNGSSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000355449826 276246149 /nfs/dbraw/zinc/24/61/49/276246149.db2.gz ZFJHCCMMPKZCCF-PKOBYXMFSA-N 1 3 331.504 2.840 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000355449826 276246151 /nfs/dbraw/zinc/24/61/51/276246151.db2.gz ZFJHCCMMPKZCCF-PKOBYXMFSA-N 1 3 331.504 2.840 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267499650 276326984 /nfs/dbraw/zinc/32/69/84/276326984.db2.gz IHEQZKIPUXDKRT-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH+](CC)CC)C1CC1 ZINC000431951472 276334123 /nfs/dbraw/zinc/33/41/23/276334123.db2.gz CJBWMVROXNSOLA-AEFFLSMTSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000411335033 276359755 /nfs/dbraw/zinc/35/97/55/276359755.db2.gz CVPUJIIHQDQVSW-LJQANCHMSA-N 1 3 331.504 2.964 20 0 EFADHO CCO[C@H]1C[C@](CO)([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000188904201 276366627 /nfs/dbraw/zinc/36/66/27/276366627.db2.gz WXIROJBYRMORLS-AZUAARDMSA-N 1 3 338.536 2.939 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C(C)C ZINC000351815530 276370801 /nfs/dbraw/zinc/37/08/01/276370801.db2.gz WDLYBMFTVPGHIC-MRXNPFEDSA-N 1 3 334.508 2.626 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C(C)C ZINC000351815530 276370802 /nfs/dbraw/zinc/37/08/02/276370802.db2.gz WDLYBMFTVPGHIC-MRXNPFEDSA-N 1 3 334.508 2.626 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CC2CCOCC2)CC1 ZINC000093314895 276388093 /nfs/dbraw/zinc/38/80/93/276388093.db2.gz DGUWQJSDXAIHEA-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC2CCOCC2)CC1 ZINC000093314895 276388095 /nfs/dbraw/zinc/38/80/95/276388095.db2.gz DGUWQJSDXAIHEA-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCO[C@@H](C[NH2+]C2CCN(C(C)C)CC2)[C@H]1c1ccccc1 ZINC000344839883 276391046 /nfs/dbraw/zinc/39/10/46/276391046.db2.gz CGCDZABRALCAFF-LEWJYISDSA-N 1 3 345.531 2.911 20 0 EFADHO CN(c1nc2ccccc2s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363064312 277004139 /nfs/dbraw/zinc/00/41/39/277004139.db2.gz XYWLLYUVHIRICN-HNNXBMFYSA-N 1 3 330.501 2.901 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CSCCc4ccccc43)C2)CC1 ZINC000370638892 277029109 /nfs/dbraw/zinc/02/91/09/277029109.db2.gz ZZJGXJCXRROKFQ-PXNSSMCTSA-N 1 3 345.556 2.775 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000248127586 277067250 /nfs/dbraw/zinc/06/72/50/277067250.db2.gz OCDKLIGHNDPCBV-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000248127586 277067251 /nfs/dbraw/zinc/06/72/51/277067251.db2.gz OCDKLIGHNDPCBV-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422708641 277073149 /nfs/dbraw/zinc/07/31/49/277073149.db2.gz CDBARILJSXEXSV-ZDUSSCGKSA-N 1 3 326.444 2.700 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000352388791 277270969 /nfs/dbraw/zinc/27/09/69/277270969.db2.gz VOWLYOIJOODQQC-SARUNTBLSA-N 1 3 346.515 2.919 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)C1 ZINC000358307390 277724139 /nfs/dbraw/zinc/72/41/39/277724139.db2.gz QCHQHBBYXRBFKK-GTAWCEEGSA-N 1 3 336.520 2.957 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3nccn3C)CC2)cc1 ZINC000182679721 277889348 /nfs/dbraw/zinc/88/93/48/277889348.db2.gz NRPDIWIOUKDKIP-INIZCTEOSA-N 1 3 342.487 2.992 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000418340953 278049346 /nfs/dbraw/zinc/04/93/46/278049346.db2.gz CYKQYZKZVVYWSJ-ZTFGCOKTSA-N 1 3 332.492 2.579 20 0 EFADHO C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000267291381 278224076 /nfs/dbraw/zinc/22/40/76/278224076.db2.gz XVRSIGNJHKONLI-HNNXBMFYSA-N 1 3 325.456 2.769 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418679662 278227395 /nfs/dbraw/zinc/22/73/95/278227395.db2.gz WXIVRWQXWHJZKX-XJKSGUPXSA-N 1 3 340.899 2.759 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000434693719 278305902 /nfs/dbraw/zinc/30/59/02/278305902.db2.gz HGHQQXGLAVVTPN-XLIONFOSSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000360091286 278381389 /nfs/dbraw/zinc/38/13/89/278381389.db2.gz VKNLKGCGOPUTAT-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000360091286 278381392 /nfs/dbraw/zinc/38/13/92/278381392.db2.gz VKNLKGCGOPUTAT-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)C2CC2)CC1 ZINC000357086013 278520230 /nfs/dbraw/zinc/52/02/30/278520230.db2.gz RBYRDWXMQCMRDU-AVAKVYKDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000453623631 278603721 /nfs/dbraw/zinc/60/37/21/278603721.db2.gz BTTQRCWDUASGEK-VQIMIIECSA-N 1 3 331.504 2.874 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000361331808 279128841 /nfs/dbraw/zinc/12/88/41/279128841.db2.gz PMBUBVUHBJSVPU-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@@](C[NH3+])(NCCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430567951 279148708 /nfs/dbraw/zinc/14/87/08/279148708.db2.gz BQLKGNYVXKQHNC-HNNXBMFYSA-N 1 3 329.366 2.751 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000303190247 279163056 /nfs/dbraw/zinc/16/30/56/279163056.db2.gz FJLOWPVDWLIAEO-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000303190247 279163058 /nfs/dbraw/zinc/16/30/58/279163058.db2.gz FJLOWPVDWLIAEO-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)C[C@H]([NH3+])CN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000414714016 279179034 /nfs/dbraw/zinc/17/90/34/279179034.db2.gz WSONRNKWMKKJTE-LMMKCTJWSA-N 1 3 325.541 2.571 20 0 EFADHO C[C@H](C(=O)N(CCC[NH3+])Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000262410552 279186955 /nfs/dbraw/zinc/18/69/55/279186955.db2.gz SLIVPYSYEUYIGT-LPHOPBHVSA-N 1 3 325.456 2.700 20 0 EFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330172 279197095 /nfs/dbraw/zinc/19/70/95/279197095.db2.gz AHPCDOWFQGEPMM-NEWSRXKRSA-N 1 3 341.499 2.676 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1C ZINC000422879009 279207145 /nfs/dbraw/zinc/20/71/45/279207145.db2.gz JYCKQFANYNYVBU-IPMKNSEASA-N 1 3 331.504 2.568 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726804 279226428 /nfs/dbraw/zinc/22/64/28/279226428.db2.gz IJXUDEJUCKKBMY-AJYBTWMASA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726804 279226429 /nfs/dbraw/zinc/22/64/29/279226429.db2.gz IJXUDEJUCKKBMY-AJYBTWMASA-N 1 3 343.515 2.886 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338052835 279234775 /nfs/dbraw/zinc/23/47/75/279234775.db2.gz IEBTZWPVDUOZTP-LJQANCHMSA-N 1 3 327.472 2.591 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1)C1CC1 ZINC000338052835 279234776 /nfs/dbraw/zinc/23/47/76/279234776.db2.gz IEBTZWPVDUOZTP-LJQANCHMSA-N 1 3 327.472 2.591 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000344121059 279259462 /nfs/dbraw/zinc/25/94/62/279259462.db2.gz FBHYVUGJLSNGOB-UHFFFAOYSA-N 1 3 349.441 2.640 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)CCCC1 ZINC000341105021 279329022 /nfs/dbraw/zinc/32/90/22/279329022.db2.gz NGUHJFURORMFRI-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C)CCCC1 ZINC000341105021 279329023 /nfs/dbraw/zinc/32/90/23/279329023.db2.gz NGUHJFURORMFRI-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000192665928 279356977 /nfs/dbraw/zinc/35/69/77/279356977.db2.gz GRLHYVZAKYABSL-FQEVSTJZSA-N 1 3 330.520 2.941 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000422738370 279374979 /nfs/dbraw/zinc/37/49/79/279374979.db2.gz JPMOAGBKDYMAOE-JYJNAYRXSA-N 1 3 336.499 2.744 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCCOC(F)F)CC1 ZINC000337866847 279375503 /nfs/dbraw/zinc/37/55/03/279375503.db2.gz ONCKOTDRFATZMC-UHFFFAOYSA-N 1 3 327.419 2.547 20 0 EFADHO CCOc1ccc(Cl)cc1[C@@H](C)NCCCN1CC[NH2+]CC1 ZINC000423187204 279957002 /nfs/dbraw/zinc/95/70/02/279957002.db2.gz XLGULCSXPALBHZ-CQSZACIVSA-N 1 3 325.884 2.685 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)N(C)C ZINC000360564964 280077595 /nfs/dbraw/zinc/07/75/95/280077595.db2.gz ZIGCMHLGFYBSPA-OALUTQOASA-N 1 3 333.520 2.944 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000349150019 280148231 /nfs/dbraw/zinc/14/82/31/280148231.db2.gz MMURWBHNNYVHFC-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccccc1CN1CCCCC1)[C@H](C)[NH3+] ZINC000423317933 280176216 /nfs/dbraw/zinc/17/62/16/280176216.db2.gz YVSFPXUWDULXIH-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)N(C)C ZINC000123170720 280185437 /nfs/dbraw/zinc/18/54/37/280185437.db2.gz UNDDMPJSDLTSSE-LJQANCHMSA-N 1 3 346.519 2.742 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783414 280279474 /nfs/dbraw/zinc/27/94/74/280279474.db2.gz HCCAOJGZAAZDLB-RTBURBONSA-N 1 3 346.519 2.838 20 0 EFADHO c1cc(N2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000161762130 280468831 /nfs/dbraw/zinc/46/88/31/280468831.db2.gz DFSUZOHULHMKRI-UHFFFAOYSA-N 1 3 331.460 2.573 20 0 EFADHO CC[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(CC)CC ZINC000344548976 280675627 /nfs/dbraw/zinc/67/56/27/280675627.db2.gz VLUAUBVMIXUDGH-KZNAEPCWSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc(C)c1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341237 281207652 /nfs/dbraw/zinc/20/76/52/281207652.db2.gz NYVYHWQQVPVCQL-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)CC2)n1 ZINC000353524691 281225593 /nfs/dbraw/zinc/22/55/93/281225593.db2.gz FGJJOENNOFNWRK-IPMKNSEASA-N 1 3 328.504 2.821 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000249469166 288342531 /nfs/dbraw/zinc/34/25/31/288342531.db2.gz HCCHQSHCMPYNNI-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000249469166 288342532 /nfs/dbraw/zinc/34/25/32/288342532.db2.gz HCCHQSHCMPYNNI-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000133066437 282042441 /nfs/dbraw/zinc/04/24/41/282042441.db2.gz FGOOGXHMWRTMJL-RHSMWYFYSA-N 1 3 335.517 2.919 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416235561 289041696 /nfs/dbraw/zinc/04/16/96/289041696.db2.gz VAZLAIOZSRMDQO-BHIYHBOVSA-N 1 3 329.488 2.765 20 0 EFADHO CN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](c2ccccc2)C1 ZINC000426988387 289085278 /nfs/dbraw/zinc/08/52/78/289085278.db2.gz AETPIBPYCPROHK-OALUTQOASA-N 1 3 343.515 2.713 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000433365664 289274621 /nfs/dbraw/zinc/27/46/21/289274621.db2.gz XESSIZXQLJKYPB-MOPGFXCFSA-N 1 3 329.488 2.766 20 0 EFADHO CN1CCC(C[NH2+][C@@H]2CCCC23CCCCC3)(N2CCOCC2)CC1 ZINC000414203286 289879188 /nfs/dbraw/zinc/87/91/88/289879188.db2.gz VAKDKXIGQITCIV-LJQANCHMSA-N 1 3 349.563 2.876 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890923 290390077 /nfs/dbraw/zinc/39/00/77/290390077.db2.gz PHTSENMNOLWAJR-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890923 290390080 /nfs/dbraw/zinc/39/00/80/290390080.db2.gz PHTSENMNOLWAJR-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000237519288 290392930 /nfs/dbraw/zinc/39/29/30/290392930.db2.gz GWKHVEAOJLTDBR-INIZCTEOSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000237519288 290392932 /nfs/dbraw/zinc/39/29/32/290392932.db2.gz GWKHVEAOJLTDBR-INIZCTEOSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467022 290393701 /nfs/dbraw/zinc/39/37/01/290393701.db2.gz KIIVRVSTIDBTLO-WFASDCNBSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467022 290393705 /nfs/dbraw/zinc/39/37/05/290393705.db2.gz KIIVRVSTIDBTLO-WFASDCNBSA-N 1 3 343.393 2.567 20 0 EFADHO CC1CCN(C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000121670847 292949958 /nfs/dbraw/zinc/94/99/58/292949958.db2.gz RVROXBCYUVGPQY-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123485072 292981373 /nfs/dbraw/zinc/98/13/73/292981373.db2.gz ZJKQJZBSWWLYCQ-UHFFFAOYSA-N 1 3 348.487 2.906 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1 ZINC000129856714 293145628 /nfs/dbraw/zinc/14/56/28/293145628.db2.gz GOIYKOJLZVVXPB-GOSISDBHSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)cc1 ZINC000129856714 293145631 /nfs/dbraw/zinc/14/56/31/293145631.db2.gz GOIYKOJLZVVXPB-GOSISDBHSA-N 1 3 332.492 2.875 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000130298128 293160648 /nfs/dbraw/zinc/16/06/48/293160648.db2.gz OQHIGVJNBSSYGU-HOTGVXAUSA-N 1 3 335.517 2.637 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000130298568 293160716 /nfs/dbraw/zinc/16/07/16/293160716.db2.gz OQHIGVJNBSSYGU-CVEARBPZSA-N 1 3 335.517 2.637 20 0 EFADHO CCCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000130488617 293167503 /nfs/dbraw/zinc/16/75/03/293167503.db2.gz FHMLMVYGURIMHJ-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NCc1ccccc1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000151785602 293302207 /nfs/dbraw/zinc/30/22/07/293302207.db2.gz DSMIIGSCNJNTPD-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000152604732 293341696 /nfs/dbraw/zinc/34/16/96/293341696.db2.gz GVKHDJODXGAYML-GOSISDBHSA-N 1 3 346.519 2.544 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(C)(C)c2ccccc21 ZINC000152604636 293341787 /nfs/dbraw/zinc/34/17/87/293341787.db2.gz GVKHDJODXGAYML-SFHVURJKSA-N 1 3 346.519 2.544 20 0 EFADHO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000153797284 293394936 /nfs/dbraw/zinc/39/49/36/293394936.db2.gz AYKQGFBQAAZVQO-ICSRJNTNSA-N 1 3 345.531 2.523 20 0 EFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154401259 293424397 /nfs/dbraw/zinc/42/43/97/293424397.db2.gz KWGKXXCFYZJWQK-ZWKOTPCHSA-N 1 3 333.520 2.804 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000155710411 293483715 /nfs/dbraw/zinc/48/37/15/293483715.db2.gz MPVJXBXBZLJPLV-LPHOPBHVSA-N 1 3 333.545 2.633 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000158564863 293577749 /nfs/dbraw/zinc/57/77/49/293577749.db2.gz CTSIPIAZWGBRMO-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000290123194 294004681 /nfs/dbraw/zinc/00/46/81/294004681.db2.gz LFVKVLQDZSBGSF-UXHICEINSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290226795 294032375 /nfs/dbraw/zinc/03/23/75/294032375.db2.gz UFOHOMKEMUYNMI-LMCOJAPRSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000290269822 294043260 /nfs/dbraw/zinc/04/32/60/294043260.db2.gz WAHHLGMETBWERX-OTWHNJEPSA-N 1 3 329.488 2.574 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000290269820 294043284 /nfs/dbraw/zinc/04/32/84/294043284.db2.gz WAHHLGMETBWERX-FHWLQOOXSA-N 1 3 329.488 2.574 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290288496 294048332 /nfs/dbraw/zinc/04/83/32/294048332.db2.gz XTTSIPSMBVNQEY-RBUKOAKNSA-N 1 3 331.504 2.731 20 0 EFADHO COCCOc1ccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290363415 294067393 /nfs/dbraw/zinc/06/73/93/294067393.db2.gz GYERJYHREQTVFA-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO COCCOc1ccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cc1 ZINC000290363415 294067396 /nfs/dbraw/zinc/06/73/96/294067396.db2.gz GYERJYHREQTVFA-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000290387282 294072746 /nfs/dbraw/zinc/07/27/46/294072746.db2.gz IMVZSPIJDBMYNS-MRXNPFEDSA-N 1 3 334.460 2.573 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000290531135 294112593 /nfs/dbraw/zinc/11/25/93/294112593.db2.gz QSUDOMDMTMANDZ-QGZVFWFLSA-N 1 3 325.460 2.635 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000290531135 294112595 /nfs/dbraw/zinc/11/25/95/294112595.db2.gz QSUDOMDMTMANDZ-QGZVFWFLSA-N 1 3 325.460 2.635 20 0 EFADHO COc1cc(OC)c(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290611120 294135342 /nfs/dbraw/zinc/13/53/42/294135342.db2.gz WPIUIPRHNWRDTB-MRXNPFEDSA-N 1 3 348.487 2.876 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000290762159 294177613 /nfs/dbraw/zinc/17/76/13/294177613.db2.gz RPBQZGTZQRBGSS-IRXDYDNUSA-N 1 3 328.884 2.974 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000290825601 294196458 /nfs/dbraw/zinc/19/64/58/294196458.db2.gz HKZFIYGQLAQAPD-YJBOKZPZSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000290825601 294196460 /nfs/dbraw/zinc/19/64/60/294196460.db2.gz HKZFIYGQLAQAPD-YJBOKZPZSA-N 1 3 335.455 2.958 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccnc(Cl)c1Cl ZINC000290937836 294225694 /nfs/dbraw/zinc/22/56/94/294225694.db2.gz SUXLBMGTGCJKTR-ZDUSSCGKSA-N 1 3 332.275 2.715 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccnc(Cl)c1Cl ZINC000290937836 294225696 /nfs/dbraw/zinc/22/56/96/294225696.db2.gz SUXLBMGTGCJKTR-ZDUSSCGKSA-N 1 3 332.275 2.715 20 0 EFADHO Cn1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2cccnc2)n1 ZINC000261849575 294238574 /nfs/dbraw/zinc/23/85/74/294238574.db2.gz PYPXIVOHMCSMIH-QUCCMNQESA-N 1 3 347.466 2.656 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000291149174 294290422 /nfs/dbraw/zinc/29/04/22/294290422.db2.gz IGQCIZYZWRDDGE-FOIQADDNSA-N 1 3 330.472 2.860 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317043 294346118 /nfs/dbraw/zinc/34/61/18/294346118.db2.gz YKDINSQWNIKCBY-YQQAZPJKSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317043 294346120 /nfs/dbraw/zinc/34/61/20/294346120.db2.gz YKDINSQWNIKCBY-YQQAZPJKSA-N 1 3 330.476 2.740 20 0 EFADHO O=C1NCCCC[C@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291496782 294397484 /nfs/dbraw/zinc/39/74/84/294397484.db2.gz UPOIEKOILLZFAH-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN(C)C ZINC000291824542 294494252 /nfs/dbraw/zinc/49/42/52/294494252.db2.gz ZMYFOLSBDPPPSZ-AWEZNQCLSA-N 1 3 337.895 2.732 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000292079793 294572913 /nfs/dbraw/zinc/57/29/13/294572913.db2.gz LZMJRDWRSISOPW-ZWKOTPCHSA-N 1 3 345.531 2.963 20 0 EFADHO CO[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000293231785 294914781 /nfs/dbraw/zinc/91/47/81/294914781.db2.gz ZGKVHSKPARZPGB-FQEVSTJZSA-N 1 3 331.504 2.732 20 0 EFADHO CC1(C)OCC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000293769151 295045756 /nfs/dbraw/zinc/04/57/56/295045756.db2.gz PMBBRIJDAGMCKD-FQEVSTJZSA-N 1 3 345.531 2.742 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cn1cccn1 ZINC000293868985 295067667 /nfs/dbraw/zinc/06/76/67/295067667.db2.gz YCGVTHWMGNPMBX-HZPDHXFCSA-N 1 3 330.476 2.788 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](CO)CC1)C1CCN(C)CC1 ZINC000293965352 295088931 /nfs/dbraw/zinc/08/89/31/295088931.db2.gz JUNFCVJKVDEIBK-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@H](CO)CC1)C1CCN(C)CC1 ZINC000293965352 295088933 /nfs/dbraw/zinc/08/89/33/295088933.db2.gz JUNFCVJKVDEIBK-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO CSc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000294215625 295129401 /nfs/dbraw/zinc/12/94/01/295129401.db2.gz CUUGPLNGDVOIHH-IRXDYDNUSA-N 1 3 337.533 2.714 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294263650 295137579 /nfs/dbraw/zinc/13/75/79/295137579.db2.gz NZSKGYRAIYMDNM-HOTGVXAUSA-N 1 3 345.487 2.865 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@H](C)C2C[NH2+]C2)CCOCC1 ZINC000422902231 295144208 /nfs/dbraw/zinc/14/42/08/295144208.db2.gz MJJAESCSXLOVGI-CYBMUJFWSA-N 1 3 338.879 2.594 20 0 EFADHO COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)C2CNC2)CCOCC1 ZINC000422902231 295144210 /nfs/dbraw/zinc/14/42/10/295144210.db2.gz MJJAESCSXLOVGI-CYBMUJFWSA-N 1 3 338.879 2.594 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422907332 295144328 /nfs/dbraw/zinc/14/43/28/295144328.db2.gz WYRBFYDRMMBBMV-HZPDHXFCSA-N 1 3 338.879 2.866 20 0 EFADHO COc1ccc(Cl)cc1C1(C[NH2+]C2CCNCC2)CCOCC1 ZINC000422896781 295144580 /nfs/dbraw/zinc/14/45/80/295144580.db2.gz AYWQTZAUJGGQBC-UHFFFAOYSA-N 1 3 338.879 2.738 20 0 EFADHO COc1ccc(Cl)cc1C1(CNC2CC[NH2+]CC2)CCOCC1 ZINC000422896781 295144584 /nfs/dbraw/zinc/14/45/84/295144584.db2.gz AYWQTZAUJGGQBC-UHFFFAOYSA-N 1 3 338.879 2.738 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000412332668 295240441 /nfs/dbraw/zinc/24/04/41/295240441.db2.gz DHTNKTKHMPIBLX-OLMMMNRUSA-N 1 3 347.503 2.675 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000412332668 295240443 /nfs/dbraw/zinc/24/04/43/295240443.db2.gz DHTNKTKHMPIBLX-OLMMMNRUSA-N 1 3 347.503 2.675 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326350 295241223 /nfs/dbraw/zinc/24/12/23/295241223.db2.gz XLVVNNDZWVWJHF-IEBWSBKVSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326350 295241225 /nfs/dbraw/zinc/24/12/25/295241225.db2.gz XLVVNNDZWVWJHF-IEBWSBKVSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326350 295241226 /nfs/dbraw/zinc/24/12/26/295241226.db2.gz XLVVNNDZWVWJHF-IEBWSBKVSA-N 1 3 342.487 2.925 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000294924561 295246489 /nfs/dbraw/zinc/24/64/89/295246489.db2.gz CVYPEEOFLAXXEL-MRXNPFEDSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H](O)CCN(C)Cc1cc(Cl)cc(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000294935052 295247989 /nfs/dbraw/zinc/24/79/89/295247989.db2.gz JHGSWAIXCPYBFH-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@@H](O)CCN(C)Cc1cc(Cl)cc(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000294935052 295247990 /nfs/dbraw/zinc/24/79/90/295247990.db2.gz JHGSWAIXCPYBFH-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO CCOC(=O)c1cc(CNCc2cccc(C[NH+](C)C)c2)[nH]c1C ZINC000294981280 295253724 /nfs/dbraw/zinc/25/37/24/295253724.db2.gz GGBZVKBCENZLJP-UHFFFAOYSA-N 1 3 329.444 2.851 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000294990704 295255004 /nfs/dbraw/zinc/25/50/04/295255004.db2.gz HNVXXHNENGDWMO-OAHLLOKOSA-N 1 3 335.517 2.870 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000295000041 295256125 /nfs/dbraw/zinc/25/61/25/295256125.db2.gz LFDDSEZUFNJVPY-FHWLQOOXSA-N 1 3 325.456 2.590 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295008741 295257165 /nfs/dbraw/zinc/25/71/65/295257165.db2.gz LYHVQKQSWNEKIZ-QAPCUYQASA-N 1 3 335.467 2.624 20 0 EFADHO NC[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1 ZINC000418499724 295263485 /nfs/dbraw/zinc/26/34/85/295263485.db2.gz MUAHDORAHQEXLS-OALUTQOASA-N 1 3 340.471 2.656 20 0 EFADHO C[C@H](CCO)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000295106880 295268880 /nfs/dbraw/zinc/26/88/80/295268880.db2.gz LCYBBJCCXKQRMJ-KRWDZBQOSA-N 1 3 333.520 2.715 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000295145989 295274175 /nfs/dbraw/zinc/27/41/75/295274175.db2.gz JDJHSOQBMYZFNX-MRXNPFEDSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000295246669 295287344 /nfs/dbraw/zinc/28/73/44/295287344.db2.gz TXLBKAHXYPURRL-OAHLLOKOSA-N 1 3 344.503 2.544 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000295275351 295291880 /nfs/dbraw/zinc/29/18/80/295291880.db2.gz VXZIJCCHUNLONE-SFHVURJKSA-N 1 3 332.488 2.861 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295334193 295302025 /nfs/dbraw/zinc/30/20/25/295302025.db2.gz ZRIDMPGEISZSJE-QGZVFWFLSA-N 1 3 348.487 2.730 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000295673187 295358325 /nfs/dbraw/zinc/35/83/25/295358325.db2.gz KGVZTNRWXNGWDB-HNNXBMFYSA-N 1 3 332.492 2.544 20 0 EFADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000295838287 295383333 /nfs/dbraw/zinc/38/33/33/295383333.db2.gz VTDBPJDSIQSUJK-GFCCVEGCSA-N 1 3 347.286 2.807 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)CO2 ZINC000295875119 295389726 /nfs/dbraw/zinc/38/97/26/295389726.db2.gz HISQORKTAZVRLT-SFHVURJKSA-N 1 3 326.440 2.850 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000342752109 297261922 /nfs/dbraw/zinc/26/19/22/297261922.db2.gz DNAXIFLMVWWRSD-QRQLOZEOSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000342752109 297261923 /nfs/dbraw/zinc/26/19/23/297261923.db2.gz DNAXIFLMVWWRSD-QRQLOZEOSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000342752109 297261924 /nfs/dbraw/zinc/26/19/24/297261924.db2.gz DNAXIFLMVWWRSD-QRQLOZEOSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCCC1 ZINC000126822777 298079563 /nfs/dbraw/zinc/07/95/63/298079563.db2.gz UYLXRLILCVNCHO-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCCC1 ZINC000126822777 298079565 /nfs/dbraw/zinc/07/95/65/298079565.db2.gz UYLXRLILCVNCHO-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CC[NH3+])C1 ZINC000443057638 298138649 /nfs/dbraw/zinc/13/86/49/298138649.db2.gz HMRJCCUIBPRKIZ-PXDWABPASA-N 1 3 333.520 2.521 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC([C@H](C)[NH3+])CC1 ZINC000430926383 298138753 /nfs/dbraw/zinc/13/87/53/298138753.db2.gz ODMFUOFETQUUET-DYWHQCQKSA-N 1 3 333.520 2.519 20 0 EFADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201716 298142150 /nfs/dbraw/zinc/14/21/50/298142150.db2.gz UZQTVXAHXDIYTH-LXPRWKDFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCn1cc(Br)cn1 ZINC000312433597 298892593 /nfs/dbraw/zinc/89/25/93/298892593.db2.gz IKPGNYHPWHXYCN-UKRRQHHQSA-N 1 3 343.313 2.936 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)cc1 ZINC000422809782 301767623 /nfs/dbraw/zinc/76/76/23/301767623.db2.gz QPXHHZYZXUKEHF-PKOFMYQESA-N 1 3 332.488 2.805 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237625556 301796976 /nfs/dbraw/zinc/79/69/76/301796976.db2.gz WJPCVEXKVXEORV-ICSRJNTNSA-N 1 3 329.488 2.780 20 0 EFADHO NC(=O)CC[N@H+](CCCN1CCCCC1)[C@H]1CCOc2ccccc21 ZINC000451706513 303244276 /nfs/dbraw/zinc/24/42/76/303244276.db2.gz GSXVJNDAPFYQBI-SFHVURJKSA-N 1 3 345.487 2.564 20 0 EFADHO NC(=O)CC[N@@H+](CCCN1CCCCC1)[C@H]1CCOc2ccccc21 ZINC000451706513 303244279 /nfs/dbraw/zinc/24/42/79/303244279.db2.gz GSXVJNDAPFYQBI-SFHVURJKSA-N 1 3 345.487 2.564 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783893 303398790 /nfs/dbraw/zinc/39/87/90/303398790.db2.gz ICMGIEVPZSSSRT-FHWLQOOXSA-N 1 3 344.503 2.640 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCCC34CCC4)CC2)ccn1 ZINC000449108952 304851794 /nfs/dbraw/zinc/85/17/94/304851794.db2.gz UKIQLWXPBGSYRE-LJQANCHMSA-N 1 3 328.504 2.906 20 0 EFADHO O=C1C[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CCCCC1 ZINC000297796767 310930931 /nfs/dbraw/zinc/93/09/31/310930931.db2.gz XCFQUHGGISGASP-QGZVFWFLSA-N 1 3 342.487 2.574 20 0 EFADHO COc1cc2nccc(NCC3([NH+](C)C)CCOCC3)c2cc1OC ZINC000298311976 310977623 /nfs/dbraw/zinc/97/76/23/310977623.db2.gz QWVYLMTZHKXVQH-UHFFFAOYSA-N 1 3 345.443 2.775 20 0 EFADHO CCNC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298505171 310997153 /nfs/dbraw/zinc/99/71/53/310997153.db2.gz QQMXVHWBOGQMNM-UHFFFAOYSA-N 1 3 338.455 2.590 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000298573217 311004761 /nfs/dbraw/zinc/00/47/61/311004761.db2.gz GDUCITZJMCLEKU-LJQANCHMSA-N 1 3 346.519 2.635 20 0 EFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000298593255 311006354 /nfs/dbraw/zinc/00/63/54/311006354.db2.gz VCQXGIJCAUBYSY-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO COc1cc2nccc(N3CC[C@]4(CC[N@H+](C)C4)C3)c2cc1OC ZINC000298916009 311034369 /nfs/dbraw/zinc/03/43/69/311034369.db2.gz ORIVUXGVDQRJBC-IBGZPJMESA-N 1 3 327.428 2.784 20 0 EFADHO COc1cc2nccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1OC ZINC000298916009 311034371 /nfs/dbraw/zinc/03/43/71/311034371.db2.gz ORIVUXGVDQRJBC-IBGZPJMESA-N 1 3 327.428 2.784 20 0 EFADHO COc1cc2nccc(N3CC[C@@]4(CC[N@H+](C)C4)C3)c2cc1OC ZINC000298916013 311034445 /nfs/dbraw/zinc/03/44/45/311034445.db2.gz ORIVUXGVDQRJBC-LJQANCHMSA-N 1 3 327.428 2.784 20 0 EFADHO COc1cc2nccc(N3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1OC ZINC000298916013 311034447 /nfs/dbraw/zinc/03/44/47/311034447.db2.gz ORIVUXGVDQRJBC-LJQANCHMSA-N 1 3 327.428 2.784 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416435 311082622 /nfs/dbraw/zinc/08/26/22/311082622.db2.gz UDDBFRMZDDEJJA-IHPCNDPISA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416435 311082623 /nfs/dbraw/zinc/08/26/23/311082623.db2.gz UDDBFRMZDDEJJA-IHPCNDPISA-N 1 3 334.504 2.837 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000300240520 311116125 /nfs/dbraw/zinc/11/61/25/311116125.db2.gz FEMKSKQNFIMDMZ-JKSUJKDBSA-N 1 3 327.513 2.715 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333158108 311575591 /nfs/dbraw/zinc/57/55/91/311575591.db2.gz NJFLMMTZDOPESS-OALUTQOASA-N 1 3 348.535 2.973 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360699671 311922925 /nfs/dbraw/zinc/92/29/25/311922925.db2.gz YXKUILUGRMYVHQ-KRWDZBQOSA-N 1 3 327.472 2.778 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCNCC3)C[C@H]2C1 ZINC000401139101 311971518 /nfs/dbraw/zinc/97/15/18/311971518.db2.gz XIXXSYZAEISDNV-NXOAAHMSSA-N 1 3 337.508 2.754 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000414822077 312054143 /nfs/dbraw/zinc/05/41/43/312054143.db2.gz BYECSAWBPAJKMR-LSDHHAIUSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCNC1 ZINC000414822077 312054145 /nfs/dbraw/zinc/05/41/45/312054145.db2.gz BYECSAWBPAJKMR-LSDHHAIUSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H]([NH3+])CCN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414824574 312054391 /nfs/dbraw/zinc/05/43/91/312054391.db2.gz QXUDUVROMGLRBW-QWRGUYRKSA-N 1 3 333.354 2.629 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414833575 312055679 /nfs/dbraw/zinc/05/56/79/312055679.db2.gz GKMTYSYDAIYXJB-VXGBXAGGSA-N 1 3 347.381 2.747 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414839259 312056713 /nfs/dbraw/zinc/05/67/13/312056713.db2.gz MCJVZRCREXWWED-KBPBESRZSA-N 1 3 325.884 2.522 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1(N)CCCCC1 ZINC000414844723 312058108 /nfs/dbraw/zinc/05/81/08/312058108.db2.gz QELGABGTGDACEB-UHFFFAOYSA-N 1 3 346.427 2.979 20 0 EFADHO CC1(CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)CC[NH2+]CC1 ZINC000414905358 312060726 /nfs/dbraw/zinc/06/07/26/312060726.db2.gz ONQLGFQQKZFNKN-UHFFFAOYSA-N 1 3 337.830 2.539 20 0 EFADHO C[C@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCNC1 ZINC000414918258 312062694 /nfs/dbraw/zinc/06/26/94/312062694.db2.gz UBFBGYMQGSEAHA-IBGZPJMESA-N 1 3 349.906 2.924 20 0 EFADHO FC(F)(F)[C@@H](CNCc1ccc2ccccc2c1)N1CC[NH2+]CC1 ZINC000414973195 312069524 /nfs/dbraw/zinc/06/95/24/312069524.db2.gz KJBKHMUUWDPGEE-QGZVFWFLSA-N 1 3 337.389 2.766 20 0 EFADHO COCC1(CNCc2c(F)cccc2Br)CC[NH2+]CC1 ZINC000414976290 312069986 /nfs/dbraw/zinc/06/99/86/312069986.db2.gz PFOWSNRQZDCJFO-UHFFFAOYSA-N 1 3 345.256 2.694 20 0 EFADHO Brc1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)OCO2 ZINC000414978709 312070034 /nfs/dbraw/zinc/07/00/34/312070034.db2.gz UIWXHALVFRYHOV-LBPRGKRZSA-N 1 3 341.249 2.800 20 0 EFADHO Brc1cc2c(cc1CNCCC[C@@H]1CCC[NH2+]1)OCO2 ZINC000414978707 312070193 /nfs/dbraw/zinc/07/01/93/312070193.db2.gz UIWXHALVFRYHOV-GFCCVEGCSA-N 1 3 341.249 2.800 20 0 EFADHO FC(F)(F)[C@H](CNCc1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000414990891 312072436 /nfs/dbraw/zinc/07/24/36/312072436.db2.gz SAOUMUSTMUHRMG-KRWDZBQOSA-N 1 3 337.389 2.766 20 0 EFADHO CCSc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414997029 312073857 /nfs/dbraw/zinc/07/38/57/312073857.db2.gz YBKKWKFXYLRZMF-HNNXBMFYSA-N 1 3 347.450 2.724 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415000122 312074701 /nfs/dbraw/zinc/07/47/01/312074701.db2.gz JZDYOCIUXBLOMC-YPMHNXCESA-N 1 3 337.830 2.667 20 0 EFADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000415005230 312076090 /nfs/dbraw/zinc/07/60/90/312076090.db2.gz RIQSEORGWOYRCK-AKHDSKFASA-N 1 3 349.469 2.731 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CNCCC1(F)F ZINC000415007464 312076523 /nfs/dbraw/zinc/07/65/23/312076523.db2.gz URCUJSLNFFNGCR-INIZCTEOSA-N 1 3 325.447 2.731 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CNCCC1(F)F ZINC000415007464 312076526 /nfs/dbraw/zinc/07/65/26/312076526.db2.gz URCUJSLNFFNGCR-INIZCTEOSA-N 1 3 325.447 2.731 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415044808 312082705 /nfs/dbraw/zinc/08/27/05/312082705.db2.gz BZKCWIVZRXVXCF-DYVFJYSZSA-N 1 3 349.475 2.528 20 0 EFADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415049450 312083689 /nfs/dbraw/zinc/08/36/89/312083689.db2.gz YCVIAZQXNRGQPR-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H](CCc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000415049450 312083691 /nfs/dbraw/zinc/08/36/91/312083691.db2.gz YCVIAZQXNRGQPR-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415050343 312083875 /nfs/dbraw/zinc/08/38/75/312083875.db2.gz YOEJAFLGSZJXKL-ZYHUDNBSSA-N 1 3 326.366 2.809 20 0 EFADHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc2c1OCO2 ZINC000415056273 312084855 /nfs/dbraw/zinc/08/48/55/312084855.db2.gz PQWLKPKAVQAOEC-INIZCTEOSA-N 1 3 328.412 2.994 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000415058707 312085367 /nfs/dbraw/zinc/08/53/67/312085367.db2.gz WBVPXBDWKWAAMF-MJGOQNOKSA-N 1 3 325.460 2.540 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH2+]C1CC1 ZINC000415070538 312087982 /nfs/dbraw/zinc/08/79/82/312087982.db2.gz QVPLNUUPHUKCQH-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCNC1CC1 ZINC000415070538 312087983 /nfs/dbraw/zinc/08/79/83/312087983.db2.gz QVPLNUUPHUKCQH-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@H](C[C@H]1CCC[NH2+]1)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000415083544 312090282 /nfs/dbraw/zinc/09/02/82/312090282.db2.gz NQPMJFHNTJJIDG-FUHIMQAGSA-N 1 3 331.504 2.528 20 0 EFADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415084315 312090379 /nfs/dbraw/zinc/09/03/79/312090379.db2.gz OSRWCWNDDUHBAW-RBUKOAKNSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415083545 312090450 /nfs/dbraw/zinc/09/04/50/312090450.db2.gz NQPMJFHNTJJIDG-HLIPFELVSA-N 1 3 331.504 2.528 20 0 EFADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415083869 312090470 /nfs/dbraw/zinc/09/04/70/312090470.db2.gz FXJYYCZHZHUUCK-WJFTUGDTSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000415085924 312090719 /nfs/dbraw/zinc/09/07/19/312090719.db2.gz UAASRYVFFDANEG-NXHRZFHOSA-N 1 3 329.488 2.972 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000415088238 312091235 /nfs/dbraw/zinc/09/12/35/312091235.db2.gz VXBOGCZQPIZCBD-GUDVDZBRSA-N 1 3 331.504 2.637 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100941 312094083 /nfs/dbraw/zinc/09/40/83/312094083.db2.gz AYINIUFVMWVLMN-DYVFJYSZSA-N 1 3 333.867 2.831 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100941 312094085 /nfs/dbraw/zinc/09/40/85/312094085.db2.gz AYINIUFVMWVLMN-DYVFJYSZSA-N 1 3 333.867 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C2CCNCC2)CC1)c1ccccc1 ZINC000415109446 312095840 /nfs/dbraw/zinc/09/58/40/312095840.db2.gz PMHUNTFLRHHDDD-LJQANCHMSA-N 1 3 329.488 2.513 20 0 EFADHO CC(C)Oc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415134312 312100411 /nfs/dbraw/zinc/10/04/11/312100411.db2.gz OPFJWLAINJAYSV-MOPGFXCFSA-N 1 3 330.472 2.674 20 0 EFADHO Cc1nc(C)c(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415138011 312101554 /nfs/dbraw/zinc/10/15/54/312101554.db2.gz UVPQFZFZAKHARH-UHFFFAOYSA-N 1 3 344.528 2.843 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000415140643 312102263 /nfs/dbraw/zinc/10/22/63/312102263.db2.gz LCQLGNILCSDIIW-UHFFFAOYSA-N 1 3 344.430 2.690 20 0 EFADHO O=C1N[C@@H]2CN(CCC3CCCCCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146525 312103037 /nfs/dbraw/zinc/10/30/37/312103037.db2.gz YTWGMKXRFXJJOX-RTBURBONSA-N 1 3 348.535 2.567 20 0 EFADHO COc1ccc(-c2ccccc2C)cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415148646 312103627 /nfs/dbraw/zinc/10/36/27/312103627.db2.gz LZZWROXEUOLUML-UHFFFAOYSA-N 1 3 340.467 2.956 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415205008 312113901 /nfs/dbraw/zinc/11/39/01/312113901.db2.gz QBOCWLAQFQQPFK-HZPDHXFCSA-N 1 3 348.491 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(OCCN(C)C)c1 ZINC000415210664 312114418 /nfs/dbraw/zinc/11/44/18/312114418.db2.gz XBZCHYGDOXOHPD-JKSUJKDBSA-N 1 3 348.491 2.527 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000415887391 312179569 /nfs/dbraw/zinc/17/95/69/312179569.db2.gz XKOAKBSDABIHMN-KDOFPFPSSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000415887391 312179572 /nfs/dbraw/zinc/17/95/72/312179572.db2.gz XKOAKBSDABIHMN-KDOFPFPSSA-N 1 3 330.476 2.669 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000415910404 312180510 /nfs/dbraw/zinc/18/05/10/312180510.db2.gz VVFFVVYHKDLVDC-UHFFFAOYSA-N 1 3 344.459 2.985 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415914175 312181040 /nfs/dbraw/zinc/18/10/40/312181040.db2.gz VBBZJNOMMLGWPH-VQIMIIECSA-N 1 3 342.487 2.887 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415914175 312181041 /nfs/dbraw/zinc/18/10/41/312181041.db2.gz VBBZJNOMMLGWPH-VQIMIIECSA-N 1 3 342.487 2.887 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000415938049 312181232 /nfs/dbraw/zinc/18/12/32/312181232.db2.gz YAYCMQZTUQRWFX-UHFFFAOYSA-N 1 3 326.444 2.789 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N(CCN(C)C)Cc2ccco2)c1 ZINC000415944019 312182363 /nfs/dbraw/zinc/18/23/63/312182363.db2.gz NJARTAYDPXJOGJ-UHFFFAOYSA-N 1 3 330.432 2.595 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949461 312183502 /nfs/dbraw/zinc/18/35/02/312183502.db2.gz BXWXUILUKOBZLD-CXAGYDPISA-N 1 3 346.450 2.562 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415953581 312184367 /nfs/dbraw/zinc/18/43/67/312184367.db2.gz IPHLLXRHRBCLBC-DZGCQCFKSA-N 1 3 346.450 2.562 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415959091 312185456 /nfs/dbraw/zinc/18/54/56/312185456.db2.gz YQRRVMMRQVCANN-UHFFFAOYSA-N 1 3 346.397 2.968 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415972037 312188128 /nfs/dbraw/zinc/18/81/28/312188128.db2.gz OMDLDXFWUYFQPX-GWCFXTLKSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415972037 312188130 /nfs/dbraw/zinc/18/81/30/312188130.db2.gz OMDLDXFWUYFQPX-GWCFXTLKSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000415977927 312189024 /nfs/dbraw/zinc/18/90/24/312189024.db2.gz OYHOCLFUAISWLY-BEFAXECRSA-N 1 3 338.455 2.930 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 ZINC000415984561 312190788 /nfs/dbraw/zinc/19/07/88/312190788.db2.gz PWRSUUPHPKOHFG-OAHLLOKOSA-N 1 3 330.476 2.744 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417010492 312194567 /nfs/dbraw/zinc/19/45/67/312194567.db2.gz PGCSIISJDABMDS-HZPDHXFCSA-N 1 3 338.521 2.654 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000417223216 312200478 /nfs/dbraw/zinc/20/04/78/312200478.db2.gz RLPLXBOFZCUCKC-QRQLOZEOSA-N 1 3 344.503 2.653 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCCC2)N(C)C)cc1 ZINC000417306926 312206655 /nfs/dbraw/zinc/20/66/55/312206655.db2.gz GRKWTPOAOUOPST-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000417312705 312207755 /nfs/dbraw/zinc/20/77/55/312207755.db2.gz OEMYSTXDYRVFEJ-LJQANCHMSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417336248 312210685 /nfs/dbraw/zinc/21/06/85/312210685.db2.gz WOTUTIGCQJCNSK-ZWKOTPCHSA-N 1 3 346.519 2.667 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417350948 312212650 /nfs/dbraw/zinc/21/26/50/312212650.db2.gz BKXVYDNXYZGRGK-GOSISDBHSA-N 1 3 346.519 2.949 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000417350644 312212655 /nfs/dbraw/zinc/21/26/55/312212655.db2.gz ASGCXSYGWQUVCP-GOSISDBHSA-N 1 3 346.519 2.758 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000417354503 312213282 /nfs/dbraw/zinc/21/32/82/312213282.db2.gz LZWSNMUSTHANMT-RBUKOAKNSA-N 1 3 346.519 2.805 20 0 EFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000417357636 312213551 /nfs/dbraw/zinc/21/35/51/312213551.db2.gz HAQHMSJHUPYXAS-ROUUACIJSA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000417376901 312216118 /nfs/dbraw/zinc/21/61/18/312216118.db2.gz CQMXQIXFEWVBQX-GDBMZVCRSA-N 1 3 341.446 2.617 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccccc2CC)CC1 ZINC000417393136 312217307 /nfs/dbraw/zinc/21/73/07/312217307.db2.gz NYUWWLOAIQVKSM-IBGZPJMESA-N 1 3 346.519 2.813 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000417419156 312222144 /nfs/dbraw/zinc/22/21/44/312222144.db2.gz CHVWHELFTKSCOW-LJQANCHMSA-N 1 3 340.471 2.623 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000417419156 312222146 /nfs/dbraw/zinc/22/21/46/312222146.db2.gz CHVWHELFTKSCOW-LJQANCHMSA-N 1 3 340.471 2.623 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417446812 312224502 /nfs/dbraw/zinc/22/45/02/312224502.db2.gz NHTLQADDXBYMCP-KXBFYZLASA-N 1 3 342.487 2.869 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417446812 312224504 /nfs/dbraw/zinc/22/45/04/312224504.db2.gz NHTLQADDXBYMCP-KXBFYZLASA-N 1 3 342.487 2.869 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCCNCC1 ZINC000417614731 312247819 /nfs/dbraw/zinc/24/78/19/312247819.db2.gz BNQIURFEYHHVDN-UHFFFAOYSA-N 1 3 344.503 2.568 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417620782 312248490 /nfs/dbraw/zinc/24/84/90/312248490.db2.gz GNALAFZZMVVRGV-HLLBOEOZSA-N 1 3 332.492 2.556 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417623645 312248993 /nfs/dbraw/zinc/24/89/93/312248993.db2.gz KCPKDXYWIHDPIU-NVXWUHKLSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417625204 312249115 /nfs/dbraw/zinc/24/91/15/312249115.db2.gz LNYZVWKPSBRSMQ-YQQAZPJKSA-N 1 3 332.492 2.542 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417636435 312250577 /nfs/dbraw/zinc/25/05/77/312250577.db2.gz XVUFEEPRLKOBHL-WMZOPIPTSA-N 1 3 346.519 2.947 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417689539 312257146 /nfs/dbraw/zinc/25/71/46/312257146.db2.gz KGVGUSXWBDKUJO-XYJFISCASA-N 1 3 344.503 2.591 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417695127 312258006 /nfs/dbraw/zinc/25/80/06/312258006.db2.gz TYENIMJTFQFUQH-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417696947 312258317 /nfs/dbraw/zinc/25/83/17/312258317.db2.gz CRMJUBKIZOANEE-BQFCYCMXSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417698625 312258677 /nfs/dbraw/zinc/25/86/77/312258677.db2.gz GTENBKUWNZAKIC-XYJFISCASA-N 1 3 346.519 2.803 20 0 EFADHO CCC(CC)(CNC(=O)N1CCCNCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417711450 312259960 /nfs/dbraw/zinc/25/99/60/312259960.db2.gz VQECIHGVQDUPER-KRWDZBQOSA-N 1 3 346.519 2.901 20 0 EFADHO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@@H](N)c1ccccc1 ZINC000417810245 312272809 /nfs/dbraw/zinc/27/28/09/312272809.db2.gz NMMLYHIVIBZYHW-KRWDZBQOSA-N 1 3 327.428 2.689 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417824568 312276496 /nfs/dbraw/zinc/27/64/96/312276496.db2.gz AGIGWUOONLUBMB-AOIWGVFYSA-N 1 3 346.519 2.856 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417827178 312276720 /nfs/dbraw/zinc/27/67/20/312276720.db2.gz CWSMKDMOSXTBSY-QXAKKESOSA-N 1 3 346.519 2.712 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417831686 312277828 /nfs/dbraw/zinc/27/78/28/312277828.db2.gz IGKXFAVIBHQITF-SJLPKXTDSA-N 1 3 346.519 2.856 20 0 EFADHO C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H](N)c1ccccc1 ZINC000417836451 312278298 /nfs/dbraw/zinc/27/82/98/312278298.db2.gz OUJUQXMHBIKRLX-IPELMVKDSA-N 1 3 325.456 2.919 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000417848565 312280901 /nfs/dbraw/zinc/28/09/01/312280901.db2.gz VOTLKDXGYHJJKW-RXQRSOPUSA-N 1 3 344.503 2.609 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000417854709 312282703 /nfs/dbraw/zinc/28/27/03/312282703.db2.gz KDRZKXRDDGKAEE-YOEHRIQHSA-N 1 3 334.508 2.524 20 0 EFADHO CCn1cncc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000417868092 312285799 /nfs/dbraw/zinc/28/57/99/312285799.db2.gz GGUAEEAXVOAOJO-UHFFFAOYSA-N 1 3 341.503 2.595 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000418008818 312308640 /nfs/dbraw/zinc/30/86/40/312308640.db2.gz TXEKBLROMDTSKT-APWZRJJASA-N 1 3 346.519 2.813 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418028390 312311983 /nfs/dbraw/zinc/31/19/83/312311983.db2.gz HJZYSWNWBZMHBD-QRQLOZEOSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000418032451 312312977 /nfs/dbraw/zinc/31/29/77/312312977.db2.gz LYUFIEXDKBKYQU-LJQANCHMSA-N 1 3 346.519 2.523 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035845 312313775 /nfs/dbraw/zinc/31/37/75/312313775.db2.gz YBCVPSAGOHKRGI-SFHVURJKSA-N 1 3 346.519 2.670 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418146663 312334560 /nfs/dbraw/zinc/33/45/60/312334560.db2.gz PQXBGDXSOOOJCZ-MOPGFXCFSA-N 1 3 346.519 2.570 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000420356282 312364098 /nfs/dbraw/zinc/36/40/98/312364098.db2.gz FXAXTJVFLNVHBC-CQSZACIVSA-N 1 3 327.266 2.806 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152690 312335789 /nfs/dbraw/zinc/33/57/89/312335789.db2.gz HSHGQVJEQPSLOM-AEFFLSMTSA-N 1 3 346.519 2.714 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000418162545 312337385 /nfs/dbraw/zinc/33/73/85/312337385.db2.gz GIHYNKDGVVLPQJ-IMJJTQAJSA-N 1 3 336.480 2.526 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000418163517 312337968 /nfs/dbraw/zinc/33/79/68/312337968.db2.gz DMZQSXOKEVDPND-LPHOPBHVSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000418171997 312339469 /nfs/dbraw/zinc/33/94/69/312339469.db2.gz WBHXJOHVBZSDEY-HRCADAONSA-N 1 3 336.480 2.540 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1)N(C)C ZINC000418176389 312340270 /nfs/dbraw/zinc/34/02/70/312340270.db2.gz GWJLYHPJBRBCEY-BXWFABGCSA-N 1 3 346.519 2.755 20 0 EFADHO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000418175523 312340281 /nfs/dbraw/zinc/34/02/81/312340281.db2.gz GFOHJMLIRODQNO-DOTOQJQBSA-N 1 3 332.492 2.639 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NCCC[NH2+]C)c1ccc(Cl)cc1 ZINC000418180344 312341208 /nfs/dbraw/zinc/34/12/08/312341208.db2.gz KHCNRUSNPFVBDD-INIZCTEOSA-N 1 3 340.899 2.632 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000418183662 312341798 /nfs/dbraw/zinc/34/17/98/312341798.db2.gz ORBCSFROQXWOBZ-RDJZCZTQSA-N 1 3 334.508 2.613 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418187101 312342336 /nfs/dbraw/zinc/34/23/36/312342336.db2.gz SPAQDMVQCHAVBJ-ZMMAXQRCSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC000418186528 312342481 /nfs/dbraw/zinc/34/24/81/312342481.db2.gz SCGKBOCOFJQCIZ-DWRORGKVSA-N 1 3 346.519 2.742 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418187097 312342543 /nfs/dbraw/zinc/34/25/43/312342543.db2.gz SPAQDMVQCHAVBJ-VXIBKDFQSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418186535 312342564 /nfs/dbraw/zinc/34/25/64/312342564.db2.gz SCGKBOCOFJQCIZ-YWTNHNAXSA-N 1 3 346.519 2.742 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418189055 312343094 /nfs/dbraw/zinc/34/30/94/312343094.db2.gz HEJPTRDYHPJSLC-UHOSZYNNSA-N 1 3 346.519 2.664 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000418188783 312343281 /nfs/dbraw/zinc/34/32/81/312343281.db2.gz URVDXZJAFCXTLS-AOIWGVFYSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+])N(C)C ZINC000418191065 312343395 /nfs/dbraw/zinc/34/33/95/312343395.db2.gz XCZWXHORWDURKI-NUJGCVRESA-N 1 3 332.492 2.509 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+])N(C)C ZINC000418191064 312343458 /nfs/dbraw/zinc/34/34/58/312343458.db2.gz XCZWXHORWDURKI-JZXOWHBKSA-N 1 3 332.492 2.509 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418191308 312343632 /nfs/dbraw/zinc/34/36/32/312343632.db2.gz XFDPFNSURBNNAU-CZUORRHYSA-N 1 3 340.899 2.712 20 0 EFADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418191745 312343932 /nfs/dbraw/zinc/34/39/32/312343932.db2.gz LKWROVAKQBQJMH-QZTJIDSGSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC000418200476 312346038 /nfs/dbraw/zinc/34/60/38/312346038.db2.gz YOBUJFLSVQJGLL-QGZVFWFLSA-N 1 3 334.508 2.524 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])N(CC)CC)cc1 ZINC000418212754 312347626 /nfs/dbraw/zinc/34/76/26/312347626.db2.gz JTVNDDAKJXFVSI-QGZVFWFLSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N(CC)CC)cc1 ZINC000418213231 312348075 /nfs/dbraw/zinc/34/80/75/312348075.db2.gz KNPAMSNVTREMRI-QGZVFWFLSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCCNCC2)[NH+](CC)CC)cc1 ZINC000418220086 312349195 /nfs/dbraw/zinc/34/91/95/312349195.db2.gz UCOSEEAESMGQET-IBGZPJMESA-N 1 3 346.519 2.637 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418271331 312355515 /nfs/dbraw/zinc/35/55/15/312355515.db2.gz ZZBLNLRNHJSRCT-XVLXNVKGSA-N 1 3 344.503 2.734 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418271331 312355518 /nfs/dbraw/zinc/35/55/18/312355518.db2.gz ZZBLNLRNHJSRCT-XVLXNVKGSA-N 1 3 344.503 2.734 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000418470780 312358999 /nfs/dbraw/zinc/35/89/99/312358999.db2.gz VHMIESCIARSAGX-CYJAXWMASA-N 1 3 344.503 2.578 20 0 EFADHO C[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000420781350 312389122 /nfs/dbraw/zinc/38/91/22/312389122.db2.gz BAULLLARDUWTRG-IPJUCJBFSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792760 312391339 /nfs/dbraw/zinc/39/13/39/312391339.db2.gz PYKRVGKTDKKGKV-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@H]2CCCN2C)C1 ZINC000420792760 312391340 /nfs/dbraw/zinc/39/13/40/312391340.db2.gz PYKRVGKTDKKGKV-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420820484 312396665 /nfs/dbraw/zinc/39/66/65/312396665.db2.gz MJMMBHOJSYEOQH-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420820484 312396667 /nfs/dbraw/zinc/39/66/67/312396667.db2.gz MJMMBHOJSYEOQH-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000423353923 312414917 /nfs/dbraw/zinc/41/49/17/312414917.db2.gz FHZRLWPPIUAHIA-KRWDZBQOSA-N 1 3 349.544 2.855 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000423356616 312415334 /nfs/dbraw/zinc/41/53/34/312415334.db2.gz QWONRXJSDVQOSJ-SWLSCSKDSA-N 1 3 339.867 2.607 20 0 EFADHO Cc1ccc(C)c([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423375186 312417067 /nfs/dbraw/zinc/41/70/67/312417067.db2.gz CXVSJWFXTYKJTO-GDBMZVCRSA-N 1 3 329.410 2.790 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423375335 312417219 /nfs/dbraw/zinc/41/72/19/312417219.db2.gz IQFHLHYPRALIMB-FCEWJHQRSA-N 1 3 331.504 2.948 20 0 EFADHO CCC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423391963 312418977 /nfs/dbraw/zinc/41/89/77/312418977.db2.gz PYRRELOKLBHMID-CVEARBPZSA-N 1 3 329.410 2.954 20 0 EFADHO CC1(C)Cc2occc2[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423391912 312419096 /nfs/dbraw/zinc/41/90/96/312419096.db2.gz PSFQTHMVMBYJBF-UKRRQHHQSA-N 1 3 345.409 2.719 20 0 EFADHO Cc1c([C@@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(F)cc1 ZINC000423477466 312421803 /nfs/dbraw/zinc/42/18/03/312421803.db2.gz JXEHJEHLRHPPOX-CJNGLKHVSA-N 1 3 331.439 2.898 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423750162 312448226 /nfs/dbraw/zinc/44/82/26/312448226.db2.gz SSMSKNPHXHSBOQ-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423766279 312450553 /nfs/dbraw/zinc/45/05/53/312450553.db2.gz COFHHUUKMSNTEX-UAGQMJEPSA-N 1 3 337.895 2.967 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000423785151 312453335 /nfs/dbraw/zinc/45/33/35/312453335.db2.gz NRJIFEFBMZOVRT-UHFFFAOYSA-N 1 3 337.467 2.997 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423835947 312466711 /nfs/dbraw/zinc/46/67/11/312466711.db2.gz FCPGFGSYHPQBBU-UHFFFAOYSA-N 1 3 346.519 2.921 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423843026 312468979 /nfs/dbraw/zinc/46/89/79/312468979.db2.gz HZCLQGLFYIUAKL-HHXXYDBFSA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000423844842 312469472 /nfs/dbraw/zinc/46/94/72/312469472.db2.gz MKIORXDRCRUOFV-KRWDZBQOSA-N 1 3 344.503 2.688 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458220070 313086246 /nfs/dbraw/zinc/08/62/46/313086246.db2.gz ISLPDETUQYDKPH-CQSZACIVSA-N 1 3 325.522 2.805 20 0 EFADHO COC1CCN(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000459449385 313108782 /nfs/dbraw/zinc/10/87/82/313108782.db2.gz UISDIQYKTATWRW-UHFFFAOYSA-N 1 3 346.519 2.529 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471792454 313160106 /nfs/dbraw/zinc/16/01/06/313160106.db2.gz KRQJTNQTMHNSJD-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474627421 313210734 /nfs/dbraw/zinc/21/07/34/313210734.db2.gz ITOBKYAPIWUTIP-RFQIPJPRSA-N 1 3 328.909 2.940 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000478829439 313256176 /nfs/dbraw/zinc/25/61/76/313256176.db2.gz KBWQBEOVYFGBLF-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000478829439 313256179 /nfs/dbraw/zinc/25/61/79/313256179.db2.gz KBWQBEOVYFGBLF-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000478806198 313256598 /nfs/dbraw/zinc/25/65/98/313256598.db2.gz LNGIPAAIXSSXMN-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N1CCc2ccccc2C1 ZINC000478936947 313258767 /nfs/dbraw/zinc/25/87/67/313258767.db2.gz WSRMRWVCKPCEHU-QRFRQXIXSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479347412 313266355 /nfs/dbraw/zinc/26/63/55/313266355.db2.gz QSXKOVFIXIDPJD-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479347412 313266357 /nfs/dbraw/zinc/26/63/57/313266357.db2.gz QSXKOVFIXIDPJD-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549319 313282127 /nfs/dbraw/zinc/28/21/27/313282127.db2.gz DHILFPYMLXPVAJ-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549319 313282130 /nfs/dbraw/zinc/28/21/30/313282130.db2.gz DHILFPYMLXPVAJ-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549319 313282133 /nfs/dbraw/zinc/28/21/33/313282133.db2.gz DHILFPYMLXPVAJ-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549319 313282136 /nfs/dbraw/zinc/28/21/36/313282136.db2.gz DHILFPYMLXPVAJ-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000481188333 313288334 /nfs/dbraw/zinc/28/83/34/313288334.db2.gz HFHYJACZKGMHQV-NEWSRXKRSA-N 1 3 331.504 2.964 20 0 EFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CCC1CCCCC1 ZINC000483314673 313311045 /nfs/dbraw/zinc/31/10/45/313311045.db2.gz FMDJWMUDDQORAJ-FQEVSTJZSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485558015 313329054 /nfs/dbraw/zinc/32/90/54/313329054.db2.gz WTFCWGWZWJAJBL-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000490498431 313653634 /nfs/dbraw/zinc/65/36/34/313653634.db2.gz DXHDGJDHYJIFFB-FQEVSTJZSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749766 314817400 /nfs/dbraw/zinc/81/74/00/314817400.db2.gz NDZHNGIHPUNMEE-IMJJTQAJSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@H]1CNCC[C@@H]1[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496035274 314921684 /nfs/dbraw/zinc/92/16/84/314921684.db2.gz ITOQFYOBUXPOPF-LPHOPBHVSA-N 1 3 345.487 2.623 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496269134 315005864 /nfs/dbraw/zinc/00/58/64/315005864.db2.gz ZQMFLLVNLHNUIR-APWZRJJASA-N 1 3 345.487 2.765 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477300 315081048 /nfs/dbraw/zinc/08/10/48/315081048.db2.gz SNKWTWVIKPWUQG-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477300 315081050 /nfs/dbraw/zinc/08/10/50/315081050.db2.gz SNKWTWVIKPWUQG-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477300 315081052 /nfs/dbraw/zinc/08/10/52/315081052.db2.gz SNKWTWVIKPWUQG-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000496547038 315106177 /nfs/dbraw/zinc/10/61/77/315106177.db2.gz DLCYGDBBGUSSHG-GJZGRUSLSA-N 1 3 325.497 2.563 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000496548034 315106426 /nfs/dbraw/zinc/10/64/26/315106426.db2.gz GVHBTQHSVMRRBQ-YJBOKZPZSA-N 1 3 345.487 2.679 20 0 EFADHO C[N@H+](CCCN1CCCC1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496846065 315217844 /nfs/dbraw/zinc/21/78/44/315217844.db2.gz KZLQTLDXNDORJE-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+](CCCN1CCCC1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496846065 315217846 /nfs/dbraw/zinc/21/78/46/315217846.db2.gz KZLQTLDXNDORJE-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496846449 315218107 /nfs/dbraw/zinc/21/81/07/315218107.db2.gz LNJUPXHDKAROQD-HKUYNNGSSA-N 1 3 345.487 2.895 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496861195 315223521 /nfs/dbraw/zinc/22/35/21/315223521.db2.gz ZSTATALWARFJOV-DFEHZGFQSA-N 1 3 331.460 2.978 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000496868652 315225561 /nfs/dbraw/zinc/22/55/61/315225561.db2.gz BCUOEPMYTMEBBI-MRXNPFEDSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@H]1C[C@H](CN)C[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960774 315258768 /nfs/dbraw/zinc/25/87/68/315258768.db2.gz USTXPIGKYNFGEY-QFBILLFUSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[C@H](CN)C[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960774 315258769 /nfs/dbraw/zinc/25/87/69/315258769.db2.gz USTXPIGKYNFGEY-QFBILLFUSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000496962243 315259155 /nfs/dbraw/zinc/25/91/55/315259155.db2.gz YZOKPKVPVKPFSP-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1CN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000497032665 315285339 /nfs/dbraw/zinc/28/53/39/315285339.db2.gz GPWIOAFQYBCRPP-VQIMIIECSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1N ZINC000497032665 315285341 /nfs/dbraw/zinc/28/53/41/315285341.db2.gz GPWIOAFQYBCRPP-VQIMIIECSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1N ZINC000497032665 315285344 /nfs/dbraw/zinc/28/53/44/315285344.db2.gz GPWIOAFQYBCRPP-VQIMIIECSA-N 1 3 345.487 2.704 20 0 EFADHO O=C1O[C@]2(CN1CN1CCC[C@H]1C1CCCC1)C[NH+]1CCC2CC1 ZINC000497033650 315285645 /nfs/dbraw/zinc/28/56/45/315285645.db2.gz CDFIDFJZVXPWBD-HKUYNNGSSA-N 1 3 333.476 2.515 20 0 EFADHO C[C@@H]1CN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000497032661 315285678 /nfs/dbraw/zinc/28/56/78/315285678.db2.gz GPWIOAFQYBCRPP-APWZRJJASA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1N ZINC000497032661 315285680 /nfs/dbraw/zinc/28/56/80/315285680.db2.gz GPWIOAFQYBCRPP-APWZRJJASA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1N ZINC000497032661 315285681 /nfs/dbraw/zinc/28/56/81/315285681.db2.gz GPWIOAFQYBCRPP-APWZRJJASA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[C@H]([NH3+])CCN1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128086 315319639 /nfs/dbraw/zinc/31/96/39/315319639.db2.gz ILKMMZLAMSCYBT-QFBILLFUSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@H]1C[C@H](N)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128086 315319642 /nfs/dbraw/zinc/31/96/42/315319642.db2.gz ILKMMZLAMSCYBT-QFBILLFUSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@H]1C[C@H](N)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128086 315319645 /nfs/dbraw/zinc/31/96/45/315319645.db2.gz ILKMMZLAMSCYBT-QFBILLFUSA-N 1 3 345.487 2.847 20 0 EFADHO CCN(CCC[NH+](C)C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497153864 315330511 /nfs/dbraw/zinc/33/05/11/315330511.db2.gz OZFDQNDCXZVZHV-YJBOKZPZSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@H](C[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000497268595 315373504 /nfs/dbraw/zinc/37/35/04/315373504.db2.gz JTIYMDMCRPUSMQ-GJYPPUQNSA-N 1 3 337.508 2.565 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497292184 315382232 /nfs/dbraw/zinc/38/22/32/315382232.db2.gz HORIWCFGBCGIRE-GPMSIDNRSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497292184 315382235 /nfs/dbraw/zinc/38/22/35/315382235.db2.gz HORIWCFGBCGIRE-GPMSIDNRSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000497304411 315386763 /nfs/dbraw/zinc/38/67/63/315386763.db2.gz LZOLTIBYDJQVNZ-KBPBESRZSA-N 1 3 325.497 2.752 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000497550487 315393974 /nfs/dbraw/zinc/39/39/74/315393974.db2.gz QGMPJNCRIWHHOE-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000497818525 315396943 /nfs/dbraw/zinc/39/69/43/315396943.db2.gz VFLDFIIBUSWRFS-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000497818525 315396946 /nfs/dbraw/zinc/39/69/46/315396946.db2.gz VFLDFIIBUSWRFS-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000505728154 315463997 /nfs/dbraw/zinc/46/39/97/315463997.db2.gz YCCNMVVKENTRNH-PKOBYXMFSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000514724905 315557446 /nfs/dbraw/zinc/55/74/46/315557446.db2.gz HYSRNNDHZGQNEN-PKOBYXMFSA-N 1 3 331.504 2.964 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N2CCCC2)cc1 ZINC000515143099 315595856 /nfs/dbraw/zinc/59/58/56/315595856.db2.gz PSRYXSJWBVPYOW-AZUAARDMSA-N 1 3 344.503 2.512 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000516263504 315667621 /nfs/dbraw/zinc/66/76/21/315667621.db2.gz WDZZXHUHNAJAOQ-MJGOQNOKSA-N 1 3 344.503 2.519 20 0 EFADHO CC1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000517718463 315776649 /nfs/dbraw/zinc/77/66/49/315776649.db2.gz XZMRMXPEVAYFOS-SFHVURJKSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000517932053 315788377 /nfs/dbraw/zinc/78/83/77/315788377.db2.gz ATSDBXVCIQACIG-HRCADAONSA-N 1 3 332.492 2.637 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000519350689 315856668 /nfs/dbraw/zinc/85/66/68/315856668.db2.gz PVSQYRRLCQNUIT-PKOBYXMFSA-N 1 3 334.508 2.628 20 0 EFADHO Brc1cccc(-c2c[nH]c(CNCC[C@@H]3CC[NH2+]C3)n2)c1 ZINC000520196706 315936073 /nfs/dbraw/zinc/93/60/73/315936073.db2.gz PFTYRTBEQOENTI-LBPRGKRZSA-N 1 3 349.276 2.928 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000521216975 316007755 /nfs/dbraw/zinc/00/77/55/316007755.db2.gz YMBDBSNJGBAXLK-IRXDYDNUSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000521216113 316007967 /nfs/dbraw/zinc/00/79/67/316007967.db2.gz WPTJBJOMGADSRP-SFHVURJKSA-N 1 3 344.503 2.573 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000521983213 316058995 /nfs/dbraw/zinc/05/89/95/316058995.db2.gz IAQSPIAVYWRZKJ-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cncc(Br)c1 ZINC000522015694 316064950 /nfs/dbraw/zinc/06/49/50/316064950.db2.gz ZRBVRZLFEFJEQJ-SWLSCSKDSA-N 1 3 344.297 2.852 20 0 EFADHO CC(C)[NH+](CCNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000522833561 316102980 /nfs/dbraw/zinc/10/29/80/316102980.db2.gz TYHBREUOCXLRMM-IBGZPJMESA-N 1 3 346.519 2.529 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC000525484856 316216678 /nfs/dbraw/zinc/21/66/78/316216678.db2.gz UTGVABXYKGWDAU-WSTZPKSXSA-N 1 3 345.531 2.929 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1C1CC1 ZINC000525890066 316253314 /nfs/dbraw/zinc/25/33/14/316253314.db2.gz JFXNZGMXGZIKMN-UHFFFAOYSA-N 1 3 332.492 2.830 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@H](C)C1 ZINC000527049662 316326557 /nfs/dbraw/zinc/32/65/57/316326557.db2.gz SMPDOILNXZJLNG-QYZOEREBSA-N 1 3 325.541 2.587 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530028214 317030099 /nfs/dbraw/zinc/03/00/99/317030099.db2.gz PSJZCUVUMOKQCR-QUCCMNQESA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530028214 317030103 /nfs/dbraw/zinc/03/01/03/317030103.db2.gz PSJZCUVUMOKQCR-QUCCMNQESA-N 1 3 341.499 2.642 20 0 EFADHO COCCC1CCN([C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000530212055 317081483 /nfs/dbraw/zinc/08/14/83/317081483.db2.gz OEKDIJBUWZBVIB-AZUAARDMSA-N 1 3 330.472 2.991 20 0 EFADHO Fc1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2ncccc12 ZINC000530242928 317089708 /nfs/dbraw/zinc/08/97/08/317089708.db2.gz VUFJMRHGOSFUNL-QGZVFWFLSA-N 1 3 343.446 2.964 20 0 EFADHO c1ccc2ncc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2c1 ZINC000530241792 317089754 /nfs/dbraw/zinc/08/97/54/317089754.db2.gz RJZRZCWWIHHDRH-LJQANCHMSA-N 1 3 325.456 2.825 20 0 EFADHO c1c(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)onc1-c1ccccc1 ZINC000530243128 317089880 /nfs/dbraw/zinc/08/98/80/317089880.db2.gz WSYKHMUVYBXYAD-SFHVURJKSA-N 1 3 341.455 2.932 20 0 EFADHO c1csc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248469 317091145 /nfs/dbraw/zinc/09/11/45/317091145.db2.gz KXABCXDAAXYKNT-INIZCTEOSA-N 1 3 346.500 2.729 20 0 EFADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000530340854 317110625 /nfs/dbraw/zinc/11/06/25/317110625.db2.gz MARFOXOHTRFQPM-FQEVSTJZSA-N 1 3 330.472 2.581 20 0 EFADHO CC(C)[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000530880871 317190667 /nfs/dbraw/zinc/19/06/67/317190667.db2.gz XXUCCRXWFDCLPC-LJQANCHMSA-N 1 3 333.520 2.768 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000531482634 317273474 /nfs/dbraw/zinc/27/34/74/317273474.db2.gz NAGNPURGNLEWCD-KBXCAEBGSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000531482634 317273477 /nfs/dbraw/zinc/27/34/77/317273477.db2.gz NAGNPURGNLEWCD-KBXCAEBGSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000531482637 317273710 /nfs/dbraw/zinc/27/37/10/317273710.db2.gz NAGNPURGNLEWCD-RDTXWAMCSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000531482637 317273713 /nfs/dbraw/zinc/27/37/13/317273713.db2.gz NAGNPURGNLEWCD-RDTXWAMCSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000531948921 317335795 /nfs/dbraw/zinc/33/57/95/317335795.db2.gz WFTISYOSVLOJRT-KRWDZBQOSA-N 1 3 343.515 2.730 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000538393672 317693745 /nfs/dbraw/zinc/69/37/45/317693745.db2.gz OYNNIRLIONVZRK-ZCNNSNEGSA-N 1 3 346.515 2.963 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCCC2 ZINC000538397966 317694244 /nfs/dbraw/zinc/69/42/44/317694244.db2.gz GXFDJYGLGYYPIA-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1-c1ccccc1 ZINC000547393992 318003403 /nfs/dbraw/zinc/00/34/03/318003403.db2.gz RMWSDSVQOODQAK-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000548880931 318153360 /nfs/dbraw/zinc/15/33/60/318153360.db2.gz VDMWREGITMZEIV-SXLOBPIMSA-N 1 3 332.488 2.922 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000551005279 318200499 /nfs/dbraw/zinc/20/04/99/318200499.db2.gz GHSNAZPAKYQYQM-LJQANCHMSA-N 1 3 347.503 2.542 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000551572551 318210153 /nfs/dbraw/zinc/21/01/53/318210153.db2.gz VGBWWDFYYBJDAF-JXFKEZNVSA-N 1 3 344.499 2.871 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000552098177 318242175 /nfs/dbraw/zinc/24/21/75/318242175.db2.gz XGJCJICJLYADPP-WBVHZDCISA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000552098177 318242178 /nfs/dbraw/zinc/24/21/78/318242178.db2.gz XGJCJICJLYADPP-WBVHZDCISA-N 1 3 333.476 2.876 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552225413 318249133 /nfs/dbraw/zinc/24/91/33/318249133.db2.gz GWMXKUYSHVKSDN-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1OC ZINC000552225200 318249460 /nfs/dbraw/zinc/24/94/60/318249460.db2.gz DHEPJSKCJLQNIT-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4CCC[C@H]43)CC2)CC1 ZINC000553158168 318272555 /nfs/dbraw/zinc/27/25/55/318272555.db2.gz NZBIKGVUODCFDB-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553164330 318273262 /nfs/dbraw/zinc/27/32/62/318273262.db2.gz MVXUMGMBLRMGHS-ZCNNSNEGSA-N 1 3 341.499 2.594 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553164330 318273264 /nfs/dbraw/zinc/27/32/64/318273264.db2.gz MVXUMGMBLRMGHS-ZCNNSNEGSA-N 1 3 341.499 2.594 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncccc3C)CC2)CC1 ZINC000553199628 318274432 /nfs/dbraw/zinc/27/44/32/318274432.db2.gz KPGDSCHPOVRSDF-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000553527899 318286093 /nfs/dbraw/zinc/28/60/93/318286093.db2.gz OYDUDNCJJGXZCJ-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000553527899 318286094 /nfs/dbraw/zinc/28/60/94/318286094.db2.gz OYDUDNCJJGXZCJ-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1nc2ccccc2c(NCCN2CCC([NH+](C)C)CC2)c1C ZINC000554581594 318326293 /nfs/dbraw/zinc/32/62/93/318326293.db2.gz VXSHSNJXGZPOLU-UHFFFAOYSA-N 1 3 340.515 2.965 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000555889189 318373253 /nfs/dbraw/zinc/37/32/53/318373253.db2.gz KZHZROUZTJQEGD-UHFFFAOYSA-N 1 3 331.435 2.544 20 0 EFADHO CC(C)Sc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000560339720 318539037 /nfs/dbraw/zinc/53/90/37/318539037.db2.gz KGXAINTZRMLRFP-UHFFFAOYSA-N 1 3 337.533 2.753 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000563116147 318742512 /nfs/dbraw/zinc/74/25/12/318742512.db2.gz DLZLGBUSOPPVBB-VCWRXUFXSA-N 1 3 341.499 2.531 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000563209720 318754507 /nfs/dbraw/zinc/75/45/07/318754507.db2.gz WTNGCASVTHPEQT-UHFFFAOYSA-N 1 3 337.423 2.883 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000563345355 318771110 /nfs/dbraw/zinc/77/11/10/318771110.db2.gz BXFBEBWHALSASH-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)nc3C)CC2)CC1 ZINC000565784629 319002935 /nfs/dbraw/zinc/00/29/35/319002935.db2.gz ULDLTMYRMSASCV-UHFFFAOYSA-N 1 3 344.503 2.833 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@@H](C)C3)CC2)CC1 ZINC000565843828 319008677 /nfs/dbraw/zinc/00/86/77/319008677.db2.gz PTCKXWSJKVGYDC-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000566091157 319031462 /nfs/dbraw/zinc/03/14/62/319031462.db2.gz UVUANESOVMBLBK-BTHPGYMESA-N 1 3 341.503 2.932 20 0 EFADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000566091157 319031464 /nfs/dbraw/zinc/03/14/64/319031464.db2.gz UVUANESOVMBLBK-BTHPGYMESA-N 1 3 341.503 2.932 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)[C@H]1CNCc2ccccc21)C1CCCCC1 ZINC000566289024 319058023 /nfs/dbraw/zinc/05/80/23/319058023.db2.gz SWOZSJYDHZVHEN-RBUKOAKNSA-N 1 3 329.488 2.500 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H]3C3CCC3)CC2)CC1 ZINC000566466358 319080484 /nfs/dbraw/zinc/08/04/84/319080484.db2.gz NIDRLYRUMUURLX-ICSRJNTNSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000566914356 319121772 /nfs/dbraw/zinc/12/17/72/319121772.db2.gz MKZYIEKIBQWBFR-CRAIPNDOSA-N 1 3 347.503 2.677 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3F)CC2)CC1 ZINC000567122263 319140923 /nfs/dbraw/zinc/14/09/23/319140923.db2.gz CEMBWWAWLKKZOO-QZTJIDSGSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000567226885 319151077 /nfs/dbraw/zinc/15/10/77/319151077.db2.gz VSXGTAFGKHEKJX-BHIYHBOVSA-N 1 3 347.478 2.764 20 0 EFADHO C[C@@H](NC[C@@H](O)COCc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000567228402 319151610 /nfs/dbraw/zinc/15/16/10/319151610.db2.gz SOXIUWHWRSHRCO-RHSMWYFYSA-N 1 3 342.911 2.783 20 0 EFADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000567457446 319173127 /nfs/dbraw/zinc/17/31/27/319173127.db2.gz NZWMNEJKVYQTKL-LEWJYISDSA-N 1 3 344.499 2.780 20 0 EFADHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000567457446 319173128 /nfs/dbraw/zinc/17/31/28/319173128.db2.gz NZWMNEJKVYQTKL-LEWJYISDSA-N 1 3 344.499 2.780 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052174 319241152 /nfs/dbraw/zinc/24/11/52/319241152.db2.gz PSEPKTRRCKCWAM-JTDSTZFVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052174 319241154 /nfs/dbraw/zinc/24/11/54/319241154.db2.gz PSEPKTRRCKCWAM-JTDSTZFVSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CNCc1ccc(CC[NH+](C)C)cc1 ZINC000568078651 319245043 /nfs/dbraw/zinc/24/50/43/319245043.db2.gz ZKUJPDZOSATNOY-FQEVSTJZSA-N 1 3 342.483 2.629 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000568227240 319261521 /nfs/dbraw/zinc/26/15/21/319261521.db2.gz VDVBNHJJWVLZAP-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc3ccccc32)CC[N@@H+]1C ZINC000568343778 319272154 /nfs/dbraw/zinc/27/21/54/319272154.db2.gz INETWTAYFNLXAG-KBAYOESNSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc3ccccc32)CC[N@H+]1C ZINC000568343778 319272157 /nfs/dbraw/zinc/27/21/57/319272157.db2.gz INETWTAYFNLXAG-KBAYOESNSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc3ccccc32)CC[N@@H+]1C ZINC000568343780 319272350 /nfs/dbraw/zinc/27/23/50/319272350.db2.gz INETWTAYFNLXAG-NXHRZFHOSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc3ccccc32)CC[N@H+]1C ZINC000568343780 319272353 /nfs/dbraw/zinc/27/23/53/319272353.db2.gz INETWTAYFNLXAG-NXHRZFHOSA-N 1 3 328.456 2.652 20 0 EFADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000568358212 319274030 /nfs/dbraw/zinc/27/40/30/319274030.db2.gz ILYIGVDTNIOINR-GUDVDZBRSA-N 1 3 339.487 2.688 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000568368797 319276540 /nfs/dbraw/zinc/27/65/40/319276540.db2.gz CHZVNCMOFSRPHX-SJLPKXTDSA-N 1 3 346.500 2.857 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)N2CCCC2)cc1 ZINC000568370820 319277049 /nfs/dbraw/zinc/27/70/49/319277049.db2.gz RFWRIIIWUQUWBK-NEWSRXKRSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000568399642 319280976 /nfs/dbraw/zinc/28/09/76/319280976.db2.gz VWBCGCPRCWHCFK-GOSISDBHSA-N 1 3 325.456 2.955 20 0 EFADHO OC[C@H](CC1CCCC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568499288 319289896 /nfs/dbraw/zinc/28/98/96/319289896.db2.gz CZWBBJFLNMBHSU-XKGZKEIXSA-N 1 3 330.472 2.773 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000568745949 319314405 /nfs/dbraw/zinc/31/44/05/319314405.db2.gz JMYJSRWJRNGBAO-LBPRGKRZSA-N 1 3 327.856 2.607 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@H](N)c1ccccc1 ZINC000569086241 319347118 /nfs/dbraw/zinc/34/71/18/319347118.db2.gz PFPYPFWDVBJSFW-QZTJIDSGSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000569457682 319382305 /nfs/dbraw/zinc/38/23/05/319382305.db2.gz MKCJYVNPBDZRBC-MNEFBYGVSA-N 1 3 344.503 2.639 20 0 EFADHO CN(C)CCC[N@H+](C)Cc1cccc(I)c1 ZINC000569466508 319383521 /nfs/dbraw/zinc/38/35/21/319383521.db2.gz DBLMAHYUZJXBSF-UHFFFAOYSA-N 1 3 332.229 2.675 20 0 EFADHO CN(C)CCC[N@@H+](C)Cc1cccc(I)c1 ZINC000569466508 319383522 /nfs/dbraw/zinc/38/35/22/319383522.db2.gz DBLMAHYUZJXBSF-UHFFFAOYSA-N 1 3 332.229 2.675 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@@H](C)C3)CC2)CC1 ZINC000569590262 319395435 /nfs/dbraw/zinc/39/54/35/319395435.db2.gz VPZMSXFMZKFJGJ-IRXDYDNUSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N2CCCC2)cc1 ZINC000569850892 319421135 /nfs/dbraw/zinc/42/11/35/319421135.db2.gz MENSYPWTRBDQGW-OALUTQOASA-N 1 3 329.488 2.780 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N2CCCC2)cc1 ZINC000569850890 319421434 /nfs/dbraw/zinc/42/14/34/319421434.db2.gz MENSYPWTRBDQGW-MOPGFXCFSA-N 1 3 329.488 2.780 20 0 EFADHO CCOc1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000570782429 319511922 /nfs/dbraw/zinc/51/19/22/319511922.db2.gz PDZHHBMHQVLKND-IEBWSBKVSA-N 1 3 348.487 2.812 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000571399661 319570522 /nfs/dbraw/zinc/57/05/22/319570522.db2.gz CXAZTRKSTPMONS-SJLPKXTDSA-N 1 3 349.544 2.984 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc(Br)c1OC ZINC000572702429 319695953 /nfs/dbraw/zinc/69/59/53/319695953.db2.gz HCMGVGPLQWGIAP-NWDGAFQWSA-N 1 3 343.265 2.826 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000572733198 319699965 /nfs/dbraw/zinc/69/99/65/319699965.db2.gz HFEBXSXPEDSSSC-MOPGFXCFSA-N 1 3 346.519 2.645 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000574179249 319838565 /nfs/dbraw/zinc/83/85/65/319838565.db2.gz DGXVQFKGOOQCAF-UHOSZYNNSA-N 1 3 344.503 2.511 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)NCCN1CCCCCC1 ZINC000575203115 319934321 /nfs/dbraw/zinc/93/43/21/319934321.db2.gz FJOUXVNVFZDOEF-HUUCEWRRSA-N 1 3 349.441 2.689 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@H](C)C3)CC2)CC1 ZINC000576359148 320009738 /nfs/dbraw/zinc/00/97/38/320009738.db2.gz FRBBGEIAVROYHZ-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000576396247 320011758 /nfs/dbraw/zinc/01/17/58/320011758.db2.gz BURXMDLWJQFNFB-UHFFFAOYSA-N 1 3 337.467 2.641 20 0 EFADHO Cc1noc(C)c1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000576506712 320021844 /nfs/dbraw/zinc/02/18/44/320021844.db2.gz BBWOABVJJNMUOH-IEBWSBKVSA-N 1 3 327.428 2.679 20 0 EFADHO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)n(C2CCN(C)CC2)n1 ZINC000576653318 320036037 /nfs/dbraw/zinc/03/60/37/320036037.db2.gz BMCCYLAEHZLKOW-UHFFFAOYSA-N 1 3 347.507 2.517 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000576861202 320055024 /nfs/dbraw/zinc/05/50/24/320055024.db2.gz HUFIRQLUHRIRFW-XOYOTBSWSA-N 1 3 339.487 2.923 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000576861199 320055038 /nfs/dbraw/zinc/05/50/38/320055038.db2.gz HUFIRQLUHRIRFW-DZJNRPSUSA-N 1 3 339.487 2.923 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C[C@H](C)O1 ZINC000576934837 320061730 /nfs/dbraw/zinc/06/17/30/320061730.db2.gz MDXFCAGKWLKQAS-HGKCTWBKSA-N 1 3 332.488 2.689 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC(CC[NH3+])CC2)C2CC2)cc1 ZINC000576949656 320064057 /nfs/dbraw/zinc/06/40/57/320064057.db2.gz RBXUZSOZUZCRSY-UHFFFAOYSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)N2CCCC2)cc1 ZINC000577163644 320082750 /nfs/dbraw/zinc/08/27/50/320082750.db2.gz HLSJFVLDTNOQDK-NEWSRXKRSA-N 1 3 344.503 2.572 20 0 EFADHO [NH3+][C@H](CCC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000577164526 320083377 /nfs/dbraw/zinc/08/33/77/320083377.db2.gz GKVIWKSDNSDCHJ-QGZVFWFLSA-N 1 3 325.412 2.587 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000577184321 320085849 /nfs/dbraw/zinc/08/58/49/320085849.db2.gz ODBXSNXGLYOHOU-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000577184321 320085851 /nfs/dbraw/zinc/08/58/51/320085851.db2.gz ODBXSNXGLYOHOU-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000577230786 320091141 /nfs/dbraw/zinc/09/11/41/320091141.db2.gz YYBYEERQJYZZTL-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO c1ccc(C[C@@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000577601887 320126172 /nfs/dbraw/zinc/12/61/72/320126172.db2.gz ALEGRCJGIOENHM-ROUUACIJSA-N 1 3 339.487 2.773 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000577955440 320159832 /nfs/dbraw/zinc/15/98/32/320159832.db2.gz TUCOKEVMYHVMSM-RIVXBTQJSA-N 1 3 347.478 2.508 20 0 EFADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000578035704 320167461 /nfs/dbraw/zinc/16/74/61/320167461.db2.gz XQFXPNFZEDPKNF-IAGOWNOFSA-N 1 3 331.504 2.641 20 0 EFADHO CC(C)[C@@H](CO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000578044816 320168301 /nfs/dbraw/zinc/16/83/01/320168301.db2.gz URUUFSFPRUSDCG-GOSISDBHSA-N 1 3 333.520 2.571 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000578224258 320185906 /nfs/dbraw/zinc/18/59/06/320185906.db2.gz DESYSSQANIWQMP-NWDGAFQWSA-N 1 3 331.382 2.868 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000578226580 320186260 /nfs/dbraw/zinc/18/62/60/320186260.db2.gz DNJXBJOKVPQALP-WMZOPIPTSA-N 1 3 332.492 2.509 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC(C)(C)C3)CC2)CC1 ZINC000578520758 320214026 /nfs/dbraw/zinc/21/40/26/320214026.db2.gz BWYDXTYHCOWFNO-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH2+]C[C@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000578623163 320223720 /nfs/dbraw/zinc/22/37/20/320223720.db2.gz PKPOSHSKTSVSCV-INIZCTEOSA-N 1 3 339.483 2.887 20 0 EFADHO Clc1cnn2cc(CCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cnc12 ZINC000578637819 320225079 /nfs/dbraw/zinc/22/50/79/320225079.db2.gz ODWGLNAQBJZUJF-BHYGNILZSA-N 1 3 347.894 2.826 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000578764054 320237921 /nfs/dbraw/zinc/23/79/21/320237921.db2.gz XJYSLIPHHMDLGC-LJQANCHMSA-N 1 3 329.488 2.502 20 0 EFADHO CCOC(=O)C1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181130055 323228111 /nfs/dbraw/zinc/22/81/11/323228111.db2.gz VMJGSOFZYKVQIS-OQSMONGASA-N 1 3 340.508 2.587 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000181468187 323235438 /nfs/dbraw/zinc/23/54/38/323235438.db2.gz LBUVOYGCDXKZOE-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181493796 323236599 /nfs/dbraw/zinc/23/65/99/323236599.db2.gz HOXZUGUPYSJRPF-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CCCN(C)C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730604 323247033 /nfs/dbraw/zinc/24/70/33/323247033.db2.gz WMRYPSSXUCIJMQ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730604 323247036 /nfs/dbraw/zinc/24/70/36/323247036.db2.gz WMRYPSSXUCIJMQ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730604 323247038 /nfs/dbraw/zinc/24/70/38/323247038.db2.gz WMRYPSSXUCIJMQ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000181730604 323247040 /nfs/dbraw/zinc/24/70/40/323247040.db2.gz WMRYPSSXUCIJMQ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCC2 ZINC000182091109 323263689 /nfs/dbraw/zinc/26/36/89/323263689.db2.gz LZQIUFXNOREJBA-ZWKOTPCHSA-N 1 3 347.503 2.849 20 0 EFADHO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCCCN1CCCCC1 ZINC000182961376 323309537 /nfs/dbraw/zinc/30/95/37/323309537.db2.gz HFXIBGPEKXVXMJ-IAGOWNOFSA-N 1 3 330.538 2.588 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000194845208 323514418 /nfs/dbraw/zinc/51/44/18/323514418.db2.gz DSGHHMPLNHWMHW-IBGZPJMESA-N 1 3 331.504 2.688 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000381957839 323744945 /nfs/dbraw/zinc/74/49/45/323744945.db2.gz FYBDOESZRWPPMA-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000579688914 324011638 /nfs/dbraw/zinc/01/16/38/324011638.db2.gz BNMMTIQPLNRBFE-KRWDZBQOSA-N 1 3 346.475 2.555 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000579688914 324011643 /nfs/dbraw/zinc/01/16/43/324011643.db2.gz BNMMTIQPLNRBFE-KRWDZBQOSA-N 1 3 346.475 2.555 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000580065046 324089303 /nfs/dbraw/zinc/08/93/03/324089303.db2.gz HENXCDUDLWGZEL-LJQANCHMSA-N 1 3 332.488 2.731 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580292335 324133584 /nfs/dbraw/zinc/13/35/84/324133584.db2.gz DVBUBIOUXPAHMK-LPHOPBHVSA-N 1 3 344.503 2.592 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000580555520 324187519 /nfs/dbraw/zinc/18/75/19/324187519.db2.gz PKDHGJPQCQITSZ-RTBURBONSA-N 1 3 347.503 2.727 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000580555517 324187725 /nfs/dbraw/zinc/18/77/25/324187725.db2.gz PKDHGJPQCQITSZ-OALUTQOASA-N 1 3 347.503 2.727 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000580714754 324219576 /nfs/dbraw/zinc/21/95/76/324219576.db2.gz BDAKCFJHEOBAFP-AWEZNQCLSA-N 1 3 347.484 2.758 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)nc(C)n1 ZINC000581005695 324285362 /nfs/dbraw/zinc/28/53/62/324285362.db2.gz ALCADDBZUGDOJO-RTBURBONSA-N 1 3 337.471 2.797 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)nc(C)n1 ZINC000581005695 324285366 /nfs/dbraw/zinc/28/53/66/324285366.db2.gz ALCADDBZUGDOJO-RTBURBONSA-N 1 3 337.471 2.797 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000581062585 324296766 /nfs/dbraw/zinc/29/67/66/324296766.db2.gz IVHLKFKZNDEBPN-WOJBJXKFSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000581077410 324301132 /nfs/dbraw/zinc/30/11/32/324301132.db2.gz LLELXAMZAMXUPF-QFBILLFUSA-N 1 3 346.519 2.757 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109118 324305547 /nfs/dbraw/zinc/30/55/47/324305547.db2.gz RZSNLXFHYVZJEQ-HZPDHXFCSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109118 324305551 /nfs/dbraw/zinc/30/55/51/324305551.db2.gz RZSNLXFHYVZJEQ-HZPDHXFCSA-N 1 3 345.487 2.723 20 0 EFADHO CC(C)c1nc(CNCCCC[N@@H+]2CCC[C@H]2CO)c2ccccn21 ZINC000581196147 324326411 /nfs/dbraw/zinc/32/64/11/324326411.db2.gz VPDAHHAQLNGBLR-KRWDZBQOSA-N 1 3 344.503 2.784 20 0 EFADHO CC(C)c1nc(CNCCCC[N@H+]2CCC[C@H]2CO)c2ccccn21 ZINC000581196147 324326414 /nfs/dbraw/zinc/32/64/14/324326414.db2.gz VPDAHHAQLNGBLR-KRWDZBQOSA-N 1 3 344.503 2.784 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3cncn3C)CC2)C[C@@H](C)O1 ZINC000581258297 324339420 /nfs/dbraw/zinc/33/94/20/324339420.db2.gz ABKJIWIMBBDAQX-QZTJIDSGSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccncc1OCCN(C)C)Cc1ccccc1 ZINC000581278006 324340973 /nfs/dbraw/zinc/34/09/73/324340973.db2.gz MIVLTUFHUCEUMQ-QGZVFWFLSA-N 1 3 327.472 2.990 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000581304566 324347383 /nfs/dbraw/zinc/34/73/83/324347383.db2.gz NMRTWHVZOJXRKX-AZUAARDMSA-N 1 3 331.504 2.820 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000581304567 324347480 /nfs/dbraw/zinc/34/74/80/324347480.db2.gz NMRTWHVZOJXRKX-ICSRJNTNSA-N 1 3 331.504 2.820 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)CN1CCCCC1 ZINC000581305262 324348473 /nfs/dbraw/zinc/34/84/73/324348473.db2.gz AJOAZIJHBMGFGZ-DOTOQJQBSA-N 1 3 340.895 2.791 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000582720161 324655182 /nfs/dbraw/zinc/65/51/82/324655182.db2.gz BTVZPBKPOVPTCE-QGZVFWFLSA-N 1 3 345.512 2.598 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)CCC2 ZINC000155655291 472589261 /nfs/dbraw/zinc/58/92/61/472589261.db2.gz YTCUTOSDXGUXNV-CABCVRRESA-N 1 3 336.549 2.699 20 0 EFADHO C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090178086 472607331 /nfs/dbraw/zinc/60/73/31/472607331.db2.gz COIWBEVLOPLZLZ-NVXWUHKLSA-N 1 3 347.503 2.677 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111439853 473212542 /nfs/dbraw/zinc/21/25/42/473212542.db2.gz FQHJRYAZHSOPQZ-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111466913 473215088 /nfs/dbraw/zinc/21/50/88/473215088.db2.gz IKJNAYQGJMQLHA-GOSISDBHSA-N 1 3 338.540 2.674 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2[nH]ccc21 ZINC000081626548 473233809 /nfs/dbraw/zinc/23/38/09/473233809.db2.gz LZADURRHYKZBDU-MRXNPFEDSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2[nH]ccc21 ZINC000081626548 473233816 /nfs/dbraw/zinc/23/38/16/473233816.db2.gz LZADURRHYKZBDU-MRXNPFEDSA-N 1 3 342.487 2.656 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1N(C)C ZINC000095968949 473234291 /nfs/dbraw/zinc/23/42/91/473234291.db2.gz DLRQZZKXZNMMON-OAHLLOKOSA-N 1 3 336.499 2.568 20 0 EFADHO CSc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000124419799 473244104 /nfs/dbraw/zinc/24/41/04/473244104.db2.gz VXFSKKOCQZXOCF-UHFFFAOYSA-N 1 3 347.528 2.697 20 0 EFADHO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(OCCN(C)C)cc1 ZINC000161724348 473256304 /nfs/dbraw/zinc/25/63/04/473256304.db2.gz RVICORFGKBNMTK-MRXNPFEDSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]CC2=Cc3ccccc3OC2)C[C@H](C)O1 ZINC000171051817 473264505 /nfs/dbraw/zinc/26/45/05/473264505.db2.gz AMTSHTWQXXQSGB-CALCHBBNSA-N 1 3 330.472 2.941 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000171050153 473264561 /nfs/dbraw/zinc/26/45/61/473264561.db2.gz SRSMZZZWQWANBQ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@@H+]1C ZINC000532205199 468103155 /nfs/dbraw/zinc/10/31/55/468103155.db2.gz YULWCTCFEFLNAG-WBVHZDCISA-N 1 3 325.460 2.628 20 0 EFADHO C[C@@H]1C[C@@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@H+]1C ZINC000532205199 468103158 /nfs/dbraw/zinc/10/31/58/468103158.db2.gz YULWCTCFEFLNAG-WBVHZDCISA-N 1 3 325.460 2.628 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N(C)C ZINC000124717102 473291730 /nfs/dbraw/zinc/29/17/30/473291730.db2.gz RFXXEFDTNWAXAA-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067722 473299016 /nfs/dbraw/zinc/29/90/16/473299016.db2.gz ISDJFVFSJLOKGR-UHOSZYNNSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067722 473299021 /nfs/dbraw/zinc/29/90/21/473299021.db2.gz ISDJFVFSJLOKGR-UHOSZYNNSA-N 1 3 341.499 2.640 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000177052132 473294747 /nfs/dbraw/zinc/29/47/47/473294747.db2.gz XXOJYQVDJKTCFY-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000177052132 473294753 /nfs/dbraw/zinc/29/47/53/473294753.db2.gz XXOJYQVDJKTCFY-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H](c2ccccc2)C(C)C)CC1 ZINC000112731543 473305404 /nfs/dbraw/zinc/30/54/04/473305404.db2.gz SQKNRNAHKSVHNW-FQEVSTJZSA-N 1 3 331.504 2.916 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000112739398 473306925 /nfs/dbraw/zinc/30/69/25/473306925.db2.gz GHEVMASQJVJVNS-LJQANCHMSA-N 1 3 344.503 2.561 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000177107148 473307829 /nfs/dbraw/zinc/30/78/29/473307829.db2.gz SGFVFSKVDVLRBS-ROUUACIJSA-N 1 3 346.519 2.661 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112750394 473310216 /nfs/dbraw/zinc/31/02/16/473310216.db2.gz PIMIUEFRNRHGDL-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112750394 473310221 /nfs/dbraw/zinc/31/02/21/473310221.db2.gz PIMIUEFRNRHGDL-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000185064769 473317060 /nfs/dbraw/zinc/31/70/60/473317060.db2.gz NDNHFZLCHDIERY-LJQANCHMSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000185064769 473317064 /nfs/dbraw/zinc/31/70/64/473317064.db2.gz NDNHFZLCHDIERY-LJQANCHMSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000185064787 473317892 /nfs/dbraw/zinc/31/78/92/473317892.db2.gz NDNHFZLCHDIERY-IBGZPJMESA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000185064787 473317899 /nfs/dbraw/zinc/31/78/99/473317899.db2.gz NDNHFZLCHDIERY-IBGZPJMESA-N 1 3 346.519 2.587 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000185130061 473337925 /nfs/dbraw/zinc/33/79/25/473337925.db2.gz SBANGJJRLYLWCE-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000083522114 473344842 /nfs/dbraw/zinc/34/48/42/473344842.db2.gz XMOIFMIRFNWIKF-HOTGVXAUSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)CCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304047 473359059 /nfs/dbraw/zinc/35/90/59/473359059.db2.gz BFWXZHBLUMIFRY-QZTJIDSGSA-N 1 3 326.525 2.870 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000162648823 473366486 /nfs/dbraw/zinc/36/64/86/473366486.db2.gz FEFRIQGJHPVJBJ-JXFKEZNVSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000162648823 473366492 /nfs/dbraw/zinc/36/64/92/473366492.db2.gz FEFRIQGJHPVJBJ-JXFKEZNVSA-N 1 3 332.488 2.812 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000162792706 473383050 /nfs/dbraw/zinc/38/30/50/473383050.db2.gz DXUOPRJUSDOTSZ-VAMGGRTRSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000162792706 473383059 /nfs/dbraw/zinc/38/30/59/473383059.db2.gz DXUOPRJUSDOTSZ-VAMGGRTRSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000162792830 473384096 /nfs/dbraw/zinc/38/40/96/473384096.db2.gz DXUOPRJUSDOTSZ-HSALFYBXSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)c1C ZINC000162792830 473384102 /nfs/dbraw/zinc/38/41/02/473384102.db2.gz DXUOPRJUSDOTSZ-HSALFYBXSA-N 1 3 346.515 2.768 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000150969756 473389580 /nfs/dbraw/zinc/38/95/80/473389580.db2.gz PSMZIAKKZUPQPL-SFHVURJKSA-N 1 3 349.519 2.771 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCc3cccnc3)CC2)C[C@H](C)O1 ZINC000177495148 473389729 /nfs/dbraw/zinc/38/97/29/473389729.db2.gz RJECFJZGCIKZKD-ROUUACIJSA-N 1 3 331.504 2.835 20 0 EFADHO CN(c1ccccc1CN1C[C@H]2CCC[C@]2([NH3+])C1)C1CCN(C)CC1 ZINC000622003528 479878115 /nfs/dbraw/zinc/87/81/15/479878115.db2.gz AXLSGTGOCOUCSB-NQIIRXRSSA-N 1 3 342.531 2.530 20 0 EFADHO N[C@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345720843 475393947 /nfs/dbraw/zinc/39/39/47/475393947.db2.gz VADDLBRYGBKCIX-MRXNPFEDSA-N 1 3 339.430 2.661 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000355414958 475916264 /nfs/dbraw/zinc/91/62/64/475916264.db2.gz SNHLGVNEACKYTH-IYBDPMFKSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000433137238 477309391 /nfs/dbraw/zinc/30/93/91/477309391.db2.gz SJIAPKVLATYLJC-CVEARBPZSA-N 1 3 337.533 2.868 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000433137242 477309653 /nfs/dbraw/zinc/30/96/53/477309653.db2.gz SJIAPKVLATYLJC-JKSUJKDBSA-N 1 3 337.533 2.868 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000628425522 479897145 /nfs/dbraw/zinc/89/71/45/479897145.db2.gz NWDMCUAIPCQDNH-IEBWSBKVSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000628425522 479897153 /nfs/dbraw/zinc/89/71/53/479897153.db2.gz NWDMCUAIPCQDNH-IEBWSBKVSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425522 479897162 /nfs/dbraw/zinc/89/71/62/479897162.db2.gz NWDMCUAIPCQDNH-IEBWSBKVSA-N 1 3 334.504 2.964 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000622069810 479901934 /nfs/dbraw/zinc/90/19/34/479901934.db2.gz MVGFMWNKTFOELH-GOSISDBHSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000622069810 479901939 /nfs/dbraw/zinc/90/19/39/479901939.db2.gz MVGFMWNKTFOELH-GOSISDBHSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000622085662 479904389 /nfs/dbraw/zinc/90/43/89/479904389.db2.gz SWVYVUXXIKJVKU-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000619903471 479915766 /nfs/dbraw/zinc/91/57/66/479915766.db2.gz CCKMTCZLABUOBZ-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000619903471 479915771 /nfs/dbraw/zinc/91/57/71/479915771.db2.gz CCKMTCZLABUOBZ-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608169100 479952200 /nfs/dbraw/zinc/95/22/00/479952200.db2.gz QXUQOZAJPRPPFI-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608169100 479952203 /nfs/dbraw/zinc/95/22/03/479952203.db2.gz QXUQOZAJPRPPFI-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000631196802 479952468 /nfs/dbraw/zinc/95/24/68/479952468.db2.gz VIVZPKMZKLONNX-QFBILLFUSA-N 1 3 349.482 2.826 20 0 EFADHO CCC[C@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000631195936 479953507 /nfs/dbraw/zinc/95/35/07/479953507.db2.gz FJOOBEVDWXSTKT-GOSISDBHSA-N 1 3 333.520 2.858 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000067412301 472030285 /nfs/dbraw/zinc/03/02/85/472030285.db2.gz LCIKKAPHIASDTA-INIZCTEOSA-N 1 3 334.508 2.620 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1)C1CC1 ZINC000068196061 472147680 /nfs/dbraw/zinc/14/76/80/472147680.db2.gz ACALTJUXZYYPLQ-OAHLLOKOSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)N(C)C2CC2)cc1)C1CC1 ZINC000068196061 472147688 /nfs/dbraw/zinc/14/76/88/472147688.db2.gz ACALTJUXZYYPLQ-OAHLLOKOSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1)C1CC1 ZINC000068196062 472148659 /nfs/dbraw/zinc/14/86/59/472148659.db2.gz ACALTJUXZYYPLQ-HNNXBMFYSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)N(C)C2CC2)cc1)C1CC1 ZINC000068196062 472148660 /nfs/dbraw/zinc/14/86/60/472148660.db2.gz ACALTJUXZYYPLQ-HNNXBMFYSA-N 1 3 329.488 2.883 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000055208652 472153589 /nfs/dbraw/zinc/15/35/89/472153589.db2.gz KKMHQGOWDVABHP-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO Cc1ccc([C@@H](O)C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000075684766 472182444 /nfs/dbraw/zinc/18/24/44/472182444.db2.gz GREGKTPRRGMWDH-UEXGIBASSA-N 1 3 346.515 2.850 20 0 EFADHO O=C(CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)NCC1CCCCC1 ZINC000075834293 472204464 /nfs/dbraw/zinc/20/44/64/472204464.db2.gz DEOCTUFIKXEZON-LJQANCHMSA-N 1 3 335.536 2.881 20 0 EFADHO O=C(CC[N@H+]1CC[C@H](CN2CCCCC2)C1)NCC1CCCCC1 ZINC000075834293 472204470 /nfs/dbraw/zinc/20/44/70/472204470.db2.gz DEOCTUFIKXEZON-LJQANCHMSA-N 1 3 335.536 2.881 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000068598258 472217203 /nfs/dbraw/zinc/21/72/03/472217203.db2.gz MRRBSGBFJYYZGM-CABCVRRESA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000085361100 472238628 /nfs/dbraw/zinc/23/86/28/472238628.db2.gz NEROENUNVMBVAW-IRXDYDNUSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000085361107 472239229 /nfs/dbraw/zinc/23/92/29/472239229.db2.gz NEROENUNVMBVAW-IAGOWNOFSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000085365697 472240586 /nfs/dbraw/zinc/24/05/86/472240586.db2.gz IZAMANDQAKCUJH-DOTOQJQBSA-N 1 3 334.508 2.565 20 0 EFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000076076632 472262245 /nfs/dbraw/zinc/26/22/45/472262245.db2.gz QUGFTOQOMMGPBN-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000076076632 472262249 /nfs/dbraw/zinc/26/22/49/472262249.db2.gz QUGFTOQOMMGPBN-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000043859874 472268999 /nfs/dbraw/zinc/26/89/99/472268999.db2.gz BVBMQMYTPOIDEJ-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000043859874 472269007 /nfs/dbraw/zinc/26/90/07/472269007.db2.gz BVBMQMYTPOIDEJ-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000029607801 472284764 /nfs/dbraw/zinc/28/47/64/472284764.db2.gz QBOTZQWHFUTDRF-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CN1CCC[C@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000044533924 472314885 /nfs/dbraw/zinc/31/48/85/472314885.db2.gz WMAQQRZPRSGDDY-LLVKDONJSA-N 1 3 341.249 2.609 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000076386306 472335373 /nfs/dbraw/zinc/33/53/73/472335373.db2.gz SNVVJSVMLAXAFM-ZWKOTPCHSA-N 1 3 343.515 2.773 20 0 EFADHO CN(C)[C@H](CNCc1ccc(OCC[NH+](C)C)cc1)c1ccco1 ZINC000069645536 472387111 /nfs/dbraw/zinc/38/71/11/472387111.db2.gz MREBKNRFMVGYMW-GOSISDBHSA-N 1 3 331.460 2.613 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000154235055 472405612 /nfs/dbraw/zinc/40/56/12/472405612.db2.gz PXDDCQXUDLGNHI-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000154235055 472405617 /nfs/dbraw/zinc/40/56/17/472405617.db2.gz PXDDCQXUDLGNHI-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116434192 472407615 /nfs/dbraw/zinc/40/76/15/472407615.db2.gz OYESVLNSJQSMHX-QGZVFWFLSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116434192 472407621 /nfs/dbraw/zinc/40/76/21/472407621.db2.gz OYESVLNSJQSMHX-QGZVFWFLSA-N 1 3 346.519 2.851 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCCN(C(C)C)CC1)CC(C)C ZINC000069764508 472421869 /nfs/dbraw/zinc/42/18/69/472421869.db2.gz UMVVXLINQUVJNW-SFHVURJKSA-N 1 3 340.556 2.869 20 0 EFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154401467 472427935 /nfs/dbraw/zinc/42/79/35/472427935.db2.gz KWGKXXCFYZJWQK-ROUUACIJSA-N 1 3 333.520 2.804 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1OC ZINC000089509213 472453361 /nfs/dbraw/zinc/45/33/61/472453361.db2.gz LDYFIIDOBAACSW-KURKYZTESA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1OC ZINC000089509213 472453366 /nfs/dbraw/zinc/45/33/66/472453366.db2.gz LDYFIIDOBAACSW-KURKYZTESA-N 1 3 347.503 2.523 20 0 EFADHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000633765705 479988745 /nfs/dbraw/zinc/98/87/45/479988745.db2.gz DAQYGUOQBQGGLN-LSDHHAIUSA-N 1 3 345.409 2.765 20 0 EFADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000070013056 472484714 /nfs/dbraw/zinc/48/47/14/472484714.db2.gz JYXHJCHDNPARDL-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CN1CCC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000128774703 472495900 /nfs/dbraw/zinc/49/59/00/472495900.db2.gz LGEAQEQXMXZREO-GFCCVEGCSA-N 1 3 339.277 2.815 20 0 EFADHO C(CC1CC[NH+](CCCN2CCCCC2)CC1)CN1CCOCC1 ZINC000118942495 472515005 /nfs/dbraw/zinc/51/50/05/472515005.db2.gz KHYOAFBBKLQZQP-UHFFFAOYSA-N 1 3 337.552 2.687 20 0 EFADHO C(CC1CCN(CCC[NH+]2CCCCC2)CC1)CN1CCOCC1 ZINC000118942495 472515008 /nfs/dbraw/zinc/51/50/08/472515008.db2.gz KHYOAFBBKLQZQP-UHFFFAOYSA-N 1 3 337.552 2.687 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1 ZINC000101602754 472543414 /nfs/dbraw/zinc/54/34/14/472543414.db2.gz KIDFLNCSCGKLFJ-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1 ZINC000101602754 472543419 /nfs/dbraw/zinc/54/34/19/472543419.db2.gz KIDFLNCSCGKLFJ-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO CCN(C)CCNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000102004502 472561211 /nfs/dbraw/zinc/56/12/11/472561211.db2.gz ITKNOZMHCARVJU-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CC(C)(C)O)CC1 ZINC000129991695 472577028 /nfs/dbraw/zinc/57/70/28/472577028.db2.gz BWLDLIAVSBGOFQ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CC(C)(C)O)CC1 ZINC000129991695 472577032 /nfs/dbraw/zinc/57/70/32/472577032.db2.gz BWLDLIAVSBGOFQ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000155599977 472577076 /nfs/dbraw/zinc/57/70/76/472577076.db2.gz BWYKQZUSINEPKP-QAPCUYQASA-N 1 3 335.467 2.655 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000155601235 472578644 /nfs/dbraw/zinc/57/86/44/472578644.db2.gz OLIGRAWYLHMXID-HKUYNNGSSA-N 1 3 331.504 2.824 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000102554408 472581913 /nfs/dbraw/zinc/58/19/13/472581913.db2.gz UYYVSGXCWBJYKX-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000102554408 472581917 /nfs/dbraw/zinc/58/19/17/472581917.db2.gz UYYVSGXCWBJYKX-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000155625617 472583704 /nfs/dbraw/zinc/58/37/04/472583704.db2.gz OFWMYRYMJSYOCF-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000155633757 472584179 /nfs/dbraw/zinc/58/41/79/472584179.db2.gz NGBVHJRLVZFICN-HUUCEWRRSA-N 1 3 341.446 2.965 20 0 EFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccsc1 ZINC000090038845 472585264 /nfs/dbraw/zinc/58/52/64/472585264.db2.gz QBWDRJFDKLPPNM-AWEZNQCLSA-N 1 3 331.485 2.890 20 0 EFADHO C[C@H]1CN(CCC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119857735 472593122 /nfs/dbraw/zinc/59/31/22/472593122.db2.gz LLIDOOATQDIUCP-ROUUACIJSA-N 1 3 337.552 2.872 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000155704155 472598091 /nfs/dbraw/zinc/59/80/91/472598091.db2.gz VDIGGOOXKBXXCY-CVEARBPZSA-N 1 3 336.499 2.568 20 0 EFADHO Cc1ccc([C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)cc1 ZINC000077758389 472604227 /nfs/dbraw/zinc/60/42/27/472604227.db2.gz QLNNXDYXFSCHEF-LJQANCHMSA-N 1 3 346.519 2.581 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000119956099 472608280 /nfs/dbraw/zinc/60/82/80/472608280.db2.gz UKWIITOXKIKNHI-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000119956099 472608283 /nfs/dbraw/zinc/60/82/83/472608283.db2.gz UKWIITOXKIKNHI-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1csc2ccccc12 ZINC000077775976 472608937 /nfs/dbraw/zinc/60/89/37/472608937.db2.gz KNRNNZGRCXOTSJ-UHFFFAOYSA-N 1 3 348.516 2.536 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000077775929 472609477 /nfs/dbraw/zinc/60/94/77/472609477.db2.gz KAYVZZLIFDZPPI-SFHVURJKSA-N 1 3 348.535 2.909 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155790076 472616092 /nfs/dbraw/zinc/61/60/92/472616092.db2.gz FMHSOOHBBLGTQM-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155790076 472616098 /nfs/dbraw/zinc/61/60/98/472616098.db2.gz FMHSOOHBBLGTQM-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077798997 472618144 /nfs/dbraw/zinc/61/81/44/472618144.db2.gz BHPNVZYGWJKVCX-ROUUACIJSA-N 1 3 346.519 2.633 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628744596 479999821 /nfs/dbraw/zinc/99/98/21/479999821.db2.gz HGNHJBXDUFKKCS-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO C[N@H+]1CCCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628744596 479999824 /nfs/dbraw/zinc/99/98/24/479999824.db2.gz HGNHJBXDUFKKCS-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628743764 479999835 /nfs/dbraw/zinc/99/98/35/479999835.db2.gz ADBDQLGQJJSPJP-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628743764 479999838 /nfs/dbraw/zinc/99/98/38/479999838.db2.gz ADBDQLGQJJSPJP-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000071997658 472627154 /nfs/dbraw/zinc/62/71/54/472627154.db2.gz KDVSDWRCLLNNHZ-LJQANCHMSA-N 1 3 334.504 2.707 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000072041962 472629746 /nfs/dbraw/zinc/62/97/46/472629746.db2.gz OFRJTWJIASQEBT-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000072041962 472629748 /nfs/dbraw/zinc/62/97/48/472629748.db2.gz OFRJTWJIASQEBT-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000155887722 472633550 /nfs/dbraw/zinc/63/35/50/472633550.db2.gz KRRIGPMOZQLGKG-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120119260 472634719 /nfs/dbraw/zinc/63/47/19/472634719.db2.gz LTCXUYDFAGASIQ-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)c2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000155899779 472635435 /nfs/dbraw/zinc/63/54/35/472635435.db2.gz DFRWZNDWNLHJCV-OXQOHEQNSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000120121699 472635451 /nfs/dbraw/zinc/63/54/51/472635451.db2.gz SQCAEBRSOSKJLA-QUCCMNQESA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000103512311 472640773 /nfs/dbraw/zinc/64/07/73/472640773.db2.gz SRIORWUGLWROMF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000103512311 472640780 /nfs/dbraw/zinc/64/07/80/472640780.db2.gz SRIORWUGLWROMF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000072487616 472666116 /nfs/dbraw/zinc/66/61/16/472666116.db2.gz DDTGTMZUNHWMQE-IBGZPJMESA-N 1 3 346.519 2.711 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCO[C@@H]2C)cc1OC ZINC000120306697 472666767 /nfs/dbraw/zinc/66/67/67/472666767.db2.gz UZXOLRGRRSFCBV-NVXWUHKLSA-N 1 3 336.476 2.683 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000072518518 472670288 /nfs/dbraw/zinc/67/02/88/472670288.db2.gz AVUZHTSUDHKJCY-UHFFFAOYSA-N 1 3 326.529 2.621 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628749545 480003829 /nfs/dbraw/zinc/00/38/29/480003829.db2.gz JFXIMTHDEDSOHU-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628749545 480003835 /nfs/dbraw/zinc/00/38/35/480003835.db2.gz JFXIMTHDEDSOHU-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000105083423 472720128 /nfs/dbraw/zinc/72/01/28/472720128.db2.gz AZIXIDQQZZBNQR-OALUTQOASA-N 1 3 346.519 2.805 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000105093887 472721142 /nfs/dbraw/zinc/72/11/42/472721142.db2.gz MVVACGSNSMFLLF-MRXNPFEDSA-N 1 3 346.519 2.810 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000120663180 472727160 /nfs/dbraw/zinc/72/71/60/472727160.db2.gz HIRCQRQGWYPNKG-FXAWDEMLSA-N 1 3 345.531 2.980 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000105141211 472728457 /nfs/dbraw/zinc/72/84/57/472728457.db2.gz OPFFPWSHAUCZKY-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000105141211 472728463 /nfs/dbraw/zinc/72/84/63/472728463.db2.gz OPFFPWSHAUCZKY-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000105178996 472730457 /nfs/dbraw/zinc/73/04/57/472730457.db2.gz SWNOMAOATVEFLF-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000105178996 472730463 /nfs/dbraw/zinc/73/04/63/472730463.db2.gz SWNOMAOATVEFLF-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)[C@H](C)C1 ZINC000120701674 472731959 /nfs/dbraw/zinc/73/19/59/472731959.db2.gz CFOURFRGZDDTCA-COXVUDFISA-N 1 3 325.447 2.887 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000062505576 472739487 /nfs/dbraw/zinc/73/94/87/472739487.db2.gz ZJJXQPFWKDTFTH-GOSISDBHSA-N 1 3 346.519 2.553 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803318 480009951 /nfs/dbraw/zinc/00/99/51/480009951.db2.gz NDLQHDYWJQKZIO-YLJYHZDGSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803318 480009957 /nfs/dbraw/zinc/00/99/57/480009957.db2.gz NDLQHDYWJQKZIO-YLJYHZDGSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCCN(C)C)cc2)CC1 ZINC000072985280 472752724 /nfs/dbraw/zinc/75/27/24/472752724.db2.gz GYCJNLVDSVFWRH-UHFFFAOYSA-N 1 3 333.476 2.686 20 0 EFADHO CCOC(=O)CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000132756569 472753186 /nfs/dbraw/zinc/75/31/86/472753186.db2.gz BJDSMTVIKAJNGD-CALCHBBNSA-N 1 3 340.508 2.541 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccccc2Br)CC1 ZINC000105476592 472753480 /nfs/dbraw/zinc/75/34/80/472753480.db2.gz PIVWNEVZVMMCQM-UHFFFAOYSA-N 1 3 340.309 2.566 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccccc2Br)CC1 ZINC000105476592 472753483 /nfs/dbraw/zinc/75/34/83/472753483.db2.gz PIVWNEVZVMMCQM-UHFFFAOYSA-N 1 3 340.309 2.566 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000132830734 472757210 /nfs/dbraw/zinc/75/72/10/472757210.db2.gz NMKMEUQSXXMPJZ-INIZCTEOSA-N 1 3 332.488 2.548 20 0 EFADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C(C)C ZINC000156934409 472768111 /nfs/dbraw/zinc/76/81/11/472768111.db2.gz BOYNIBOMWMHVOS-RBUKOAKNSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803317 480009008 /nfs/dbraw/zinc/00/90/08/480009008.db2.gz NDLQHDYWJQKZIO-XLIONFOSSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803317 480009009 /nfs/dbraw/zinc/00/90/09/480009009.db2.gz NDLQHDYWJQKZIO-XLIONFOSSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000157091152 472785943 /nfs/dbraw/zinc/78/59/43/472785943.db2.gz INSIGOXNKRKUKJ-NEWSRXKRSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000157091152 472785948 /nfs/dbraw/zinc/78/59/48/472785948.db2.gz INSIGOXNKRKUKJ-NEWSRXKRSA-N 1 3 331.504 2.742 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105780 472786271 /nfs/dbraw/zinc/78/62/71/472786271.db2.gz GFNCJDHMTANKDP-JKIFEVAISA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105780 472786278 /nfs/dbraw/zinc/78/62/78/472786278.db2.gz GFNCJDHMTANKDP-JKIFEVAISA-N 1 3 336.476 2.573 20 0 EFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000091723103 472798457 /nfs/dbraw/zinc/79/84/57/472798457.db2.gz ZPOXCMDLMOMNNO-HUUCEWRRSA-N 1 3 337.533 2.909 20 0 EFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000091723103 472798461 /nfs/dbraw/zinc/79/84/61/472798461.db2.gz ZPOXCMDLMOMNNO-HUUCEWRRSA-N 1 3 337.533 2.909 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000073437583 472809957 /nfs/dbraw/zinc/80/99/57/472809957.db2.gz LBIOBJKWEKDZES-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CN(C)CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000133500523 472810220 /nfs/dbraw/zinc/81/02/20/472810220.db2.gz XMVJPIJCIZBFEM-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CN(C)CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000133500523 472810227 /nfs/dbraw/zinc/81/02/27/472810227.db2.gz XMVJPIJCIZBFEM-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCC3)c2)CCCC1 ZINC000063836346 472818302 /nfs/dbraw/zinc/81/83/02/472818302.db2.gz REEQPOIACZWMHJ-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000079121133 472822510 /nfs/dbraw/zinc/82/25/10/472822510.db2.gz JRSHLTWZNJECEB-IBGZPJMESA-N 1 3 344.503 2.559 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000079121423 472823398 /nfs/dbraw/zinc/82/33/98/472823398.db2.gz QAJAHHSVRURCCP-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000079121418 472823652 /nfs/dbraw/zinc/82/36/52/472823652.db2.gz QAJAHHSVRURCCP-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000073542113 472826595 /nfs/dbraw/zinc/82/65/95/472826595.db2.gz MVSFTSOHBRRLFA-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000073621178 472842308 /nfs/dbraw/zinc/84/23/08/472842308.db2.gz WXPFINHXMYHVRE-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000073621178 472842314 /nfs/dbraw/zinc/84/23/14/472842314.db2.gz WXPFINHXMYHVRE-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000079293542 472843912 /nfs/dbraw/zinc/84/39/12/472843912.db2.gz CXPGAMAJCAJEAB-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000079293542 472843916 /nfs/dbraw/zinc/84/39/16/472843916.db2.gz CXPGAMAJCAJEAB-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000079293510 472843975 /nfs/dbraw/zinc/84/39/75/472843975.db2.gz TZKOSYXJPFVZHN-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000073657710 472848099 /nfs/dbraw/zinc/84/80/99/472848099.db2.gz GXAOTKAXFSTFNG-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000073657710 472848107 /nfs/dbraw/zinc/84/81/07/472848107.db2.gz GXAOTKAXFSTFNG-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000106458697 472854180 /nfs/dbraw/zinc/85/41/80/472854180.db2.gz DIONLYYQVBQQQV-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516262 472857808 /nfs/dbraw/zinc/85/78/08/472857808.db2.gz TYDMZSFUPNYUOJ-MJGOQNOKSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516262 472857813 /nfs/dbraw/zinc/85/78/13/472857813.db2.gz TYDMZSFUPNYUOJ-MJGOQNOKSA-N 1 3 344.503 2.605 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000092165890 472868645 /nfs/dbraw/zinc/86/86/45/472868645.db2.gz AUSPOKIJLYLYQZ-MRXNPFEDSA-N 1 3 348.487 2.933 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)CC1 ZINC000092165890 472868650 /nfs/dbraw/zinc/86/86/50/472868650.db2.gz AUSPOKIJLYLYQZ-MRXNPFEDSA-N 1 3 348.487 2.933 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000073881767 472894935 /nfs/dbraw/zinc/89/49/35/472894935.db2.gz JPINAYHAWQZMAL-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895169 472895637 /nfs/dbraw/zinc/89/56/37/472895637.db2.gz WYEKCYYNMDJWOD-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895169 472895642 /nfs/dbraw/zinc/89/56/42/472895642.db2.gz WYEKCYYNMDJWOD-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000158148375 472897773 /nfs/dbraw/zinc/89/77/73/472897773.db2.gz ZGTLFBGYOJLPCK-INIZCTEOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000158148375 472897779 /nfs/dbraw/zinc/89/77/79/472897779.db2.gz ZGTLFBGYOJLPCK-INIZCTEOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146537 472898003 /nfs/dbraw/zinc/89/80/03/472898003.db2.gz LYJTZFROFCHNCY-IRXDYDNUSA-N 1 3 342.487 2.992 20 0 EFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146537 472898008 /nfs/dbraw/zinc/89/80/08/472898008.db2.gz LYJTZFROFCHNCY-IRXDYDNUSA-N 1 3 342.487 2.992 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000073904498 472898210 /nfs/dbraw/zinc/89/82/10/472898210.db2.gz NTOLDQROAHFNFF-ZWKOTPCHSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146832 472898679 /nfs/dbraw/zinc/89/86/79/472898679.db2.gz LYJTZFROFCHNCY-DLBZAZTESA-N 1 3 342.487 2.992 20 0 EFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146832 472898685 /nfs/dbraw/zinc/89/86/85/472898685.db2.gz LYJTZFROFCHNCY-DLBZAZTESA-N 1 3 342.487 2.992 20 0 EFADHO CN1CCC[C@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000158163219 472900485 /nfs/dbraw/zinc/90/04/85/472900485.db2.gz QXQPKYFUWSGTHO-GOSISDBHSA-N 1 3 333.495 2.764 20 0 EFADHO CC[C@@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000134582090 472933421 /nfs/dbraw/zinc/93/34/21/472933421.db2.gz SQRUDSBJMKQANM-SFHVURJKSA-N 1 3 335.517 2.609 20 0 EFADHO CCn1nc(C)c(CN2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587221 472942295 /nfs/dbraw/zinc/94/22/95/472942295.db2.gz GGSOEVNAKCBXTG-HOTGVXAUSA-N 1 3 348.535 2.841 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080054539 472968586 /nfs/dbraw/zinc/96/85/86/472968586.db2.gz IHEQZKIPUXDKRT-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CN(CCNC(=O)NCC1([NH+](C)C)CCCCC1)Cc1ccccc1 ZINC000065541763 472971339 /nfs/dbraw/zinc/97/13/39/472971339.db2.gz FWRINQMMGBUYPF-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092740496 472977861 /nfs/dbraw/zinc/97/78/61/472977861.db2.gz HQGHFLXTSSEPFH-QFBILLFUSA-N 1 3 331.504 2.748 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325661 472989460 /nfs/dbraw/zinc/98/94/60/472989460.db2.gz DIHCOOWTEUSVCP-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325661 472989463 /nfs/dbraw/zinc/98/94/63/472989463.db2.gz DIHCOOWTEUSVCP-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608475218 480023056 /nfs/dbraw/zinc/02/30/56/480023056.db2.gz PLYAZMQSVKLLDR-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH+](CC1CC1)CC1CC1)c1ccccc1 ZINC000159164495 473004380 /nfs/dbraw/zinc/00/43/80/473004380.db2.gz SGCMKBXIRILJNA-IBGZPJMESA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608475220 480023316 /nfs/dbraw/zinc/02/33/16/480023316.db2.gz PLYAZMQSVKLLDR-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000050802189 473011435 /nfs/dbraw/zinc/01/14/35/473011435.db2.gz JWTIAQAJOHAKIY-UHFFFAOYSA-N 1 3 349.906 2.557 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108590395 473045079 /nfs/dbraw/zinc/04/50/79/473045079.db2.gz UCHQLRVODXKPMK-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108590395 473045086 /nfs/dbraw/zinc/04/50/86/473045086.db2.gz UCHQLRVODXKPMK-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000074709922 473050852 /nfs/dbraw/zinc/05/08/52/473050852.db2.gz WGWKOXXAOALDDA-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066173628 473052869 /nfs/dbraw/zinc/05/28/69/473052869.db2.gz OPQFNONHHQLRGS-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066173628 473052879 /nfs/dbraw/zinc/05/28/79/473052879.db2.gz OPQFNONHHQLRGS-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000066191731 473057521 /nfs/dbraw/zinc/05/75/21/473057521.db2.gz BJRHECUIOJPUNL-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000066191731 473057527 /nfs/dbraw/zinc/05/75/27/473057527.db2.gz BJRHECUIOJPUNL-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO O=C(CN1CCC2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000122808643 473060524 /nfs/dbraw/zinc/06/05/24/473060524.db2.gz BGQZTFXDVKNGLP-UHFFFAOYSA-N 1 3 341.499 2.775 20 0 EFADHO FC(F)(F)COCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000108943039 473068281 /nfs/dbraw/zinc/06/82/81/473068281.db2.gz OZGMWCIVSUNJJM-UHFFFAOYSA-N 1 3 330.394 2.862 20 0 EFADHO CN(c1ccccc1C[N@H+](CCCCO)C1CC1)C1CCN(C)CC1 ZINC000093383209 473098122 /nfs/dbraw/zinc/09/81/22/473098122.db2.gz GHFCFHQSKCHXQR-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO CN(c1ccccc1C[N@@H+](CCCCO)C1CC1)C1CCN(C)CC1 ZINC000093383209 473098127 /nfs/dbraw/zinc/09/81/27/473098127.db2.gz GHFCFHQSKCHXQR-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO CN(c1ccccc1C[N@H+](C)CC1(O)CCCC1)C1CCN(C)CC1 ZINC000093503136 473113722 /nfs/dbraw/zinc/11/37/22/473113722.db2.gz CLCGTYFOSULVPM-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)CC1(O)CCCC1)C1CCN(C)CC1 ZINC000093503136 473113726 /nfs/dbraw/zinc/11/37/26/473113726.db2.gz CLCGTYFOSULVPM-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000123360795 473133060 /nfs/dbraw/zinc/13/30/60/473133060.db2.gz FIUKJGPCUGONGL-SFHVURJKSA-N 1 3 341.499 2.958 20 0 EFADHO C[NH+](C)CCOc1cc(CNCC2=Cc3ccccc3OC2)ccn1 ZINC000136231579 473145047 /nfs/dbraw/zinc/14/50/47/473145047.db2.gz XRIQKPNVFKJHHH-UHFFFAOYSA-N 1 3 339.439 2.588 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000110633255 473168393 /nfs/dbraw/zinc/16/83/93/473168393.db2.gz RAIYKUYWFFIHLO-GOSISDBHSA-N 1 3 335.492 2.932 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cnc2ccsc2c1 ZINC000150988077 473393298 /nfs/dbraw/zinc/39/32/98/473393298.db2.gz BABBQQIAQVVILK-AWEZNQCLSA-N 1 3 332.517 2.973 20 0 EFADHO Cc1cccc(C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)c1 ZINC000150997362 473393631 /nfs/dbraw/zinc/39/36/31/473393631.db2.gz OOELSWMISRDCQA-OAQYLSRUSA-N 1 3 329.532 2.932 20 0 EFADHO CCCn1nc(C)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1C ZINC000177568162 473400993 /nfs/dbraw/zinc/40/09/93/473400993.db2.gz FMPOAHCHDQKYIY-HOTGVXAUSA-N 1 3 336.524 2.889 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000113579274 473404976 /nfs/dbraw/zinc/40/49/76/473404976.db2.gz NMZZFAWDQPIPSR-OAHLLOKOSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151118547 473411547 /nfs/dbraw/zinc/41/15/47/473411547.db2.gz JUOURKKGXOWPBW-AWEZNQCLSA-N 1 3 330.476 2.828 20 0 EFADHO CCCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000171679018 473436067 /nfs/dbraw/zinc/43/60/67/473436067.db2.gz LCIVWKWYAVDRIP-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CCCCC1 ZINC000125654992 473442481 /nfs/dbraw/zinc/44/24/81/473442481.db2.gz WQJNBRNPPHAIAT-SFHVURJKSA-N 1 3 330.520 2.758 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191004413 473453262 /nfs/dbraw/zinc/45/32/62/473453262.db2.gz SKQWKKXWQUFWNB-IBGZPJMESA-N 1 3 337.552 2.826 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191004413 473453268 /nfs/dbraw/zinc/45/32/68/473453268.db2.gz SKQWKKXWQUFWNB-IBGZPJMESA-N 1 3 337.552 2.826 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000163578966 473456074 /nfs/dbraw/zinc/45/60/74/473456074.db2.gz YODLQGYWVVJTJB-HZPDHXFCSA-N 1 3 335.517 2.779 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H](c1cccs1)N1CCCC1 ZINC000163622528 473460392 /nfs/dbraw/zinc/46/03/92/473460392.db2.gz RAEWHTUUCWODHJ-NPYXIHBLSA-N 1 3 347.528 2.922 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN(C)c2ccccc2)[C@H](C)C1 ZINC000125875232 473467103 /nfs/dbraw/zinc/46/71/03/473467103.db2.gz MXXKPCABYKNYRW-QUCCMNQESA-N 1 3 333.520 2.849 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN(C)c2ccccc2)[C@H](C)C1 ZINC000125875232 473467108 /nfs/dbraw/zinc/46/71/08/473467108.db2.gz MXXKPCABYKNYRW-QUCCMNQESA-N 1 3 333.520 2.849 20 0 EFADHO CSCC[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000164317697 473485064 /nfs/dbraw/zinc/48/50/64/473485064.db2.gz MJXLYPKRNBUZOU-GDBMZVCRSA-N 1 3 347.532 2.843 20 0 EFADHO CSCC[C@H](N[C@H](C)C1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000164317450 473485376 /nfs/dbraw/zinc/48/53/76/473485376.db2.gz MJXLYPKRNBUZOU-ZBFHGGJFSA-N 1 3 347.532 2.843 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719565 473497082 /nfs/dbraw/zinc/49/70/82/473497082.db2.gz QVMKVZKGEBVFLR-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719565 473497088 /nfs/dbraw/zinc/49/70/88/473497088.db2.gz QVMKVZKGEBVFLR-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719565 473497098 /nfs/dbraw/zinc/49/70/98/473497098.db2.gz QVMKVZKGEBVFLR-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000164973388 473503578 /nfs/dbraw/zinc/50/35/78/473503578.db2.gz ZFFYSEJXYDVPSX-IEBWSBKVSA-N 1 3 347.503 2.742 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000164973388 473503582 /nfs/dbraw/zinc/50/35/82/473503582.db2.gz ZFFYSEJXYDVPSX-IEBWSBKVSA-N 1 3 347.503 2.742 20 0 EFADHO C[C@@H](CC(=O)NCCCN1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000165025631 473504992 /nfs/dbraw/zinc/50/49/92/473504992.db2.gz PNFNSRJVVQNLKG-KRWDZBQOSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000178411271 473507615 /nfs/dbraw/zinc/50/76/15/473507615.db2.gz KVQRDUNIWFPRJX-ICSRJNTNSA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)CN1CCCC1 ZINC000165330937 473509441 /nfs/dbraw/zinc/50/94/41/473509441.db2.gz FXEGFFAUYBHXIV-GGPKGHCWSA-N 1 3 330.520 2.614 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCCC[NH2+]2)c2ccccc2)CC1 ZINC000165723700 473515114 /nfs/dbraw/zinc/51/51/14/473515114.db2.gz SJBGNHZKSOJKJA-MOPGFXCFSA-N 1 3 329.488 2.718 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000165730715 473515914 /nfs/dbraw/zinc/51/59/14/473515914.db2.gz JQZIIZOYQBLKKZ-RTBURBONSA-N 1 3 329.488 2.718 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165954839 473519019 /nfs/dbraw/zinc/51/90/19/473519019.db2.gz YNMARFWIYSFUMB-GOEBONIOSA-N 1 3 347.503 2.924 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000165939640 473519129 /nfs/dbraw/zinc/51/91/29/473519129.db2.gz GCRHZRYSUABCLV-AEFFLSMTSA-N 1 3 336.476 2.855 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000126507903 473522178 /nfs/dbraw/zinc/52/21/78/473522178.db2.gz FNHXELTWYWUVNQ-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000126507903 473522184 /nfs/dbraw/zinc/52/21/84/473522184.db2.gz FNHXELTWYWUVNQ-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000114959105 473526081 /nfs/dbraw/zinc/52/60/81/473526081.db2.gz DASGKSZMVMACHV-QGZVFWFLSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000114959105 473526086 /nfs/dbraw/zinc/52/60/86/473526086.db2.gz DASGKSZMVMACHV-QGZVFWFLSA-N 1 3 346.519 2.551 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000167309633 473535312 /nfs/dbraw/zinc/53/53/12/473535312.db2.gz ZDZKATSOTOBISO-QFBILLFUSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000167309633 473535316 /nfs/dbraw/zinc/53/53/16/473535316.db2.gz ZDZKATSOTOBISO-QFBILLFUSA-N 1 3 331.504 2.730 20 0 EFADHO CCCC[C@H](COC)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126712481 473538387 /nfs/dbraw/zinc/53/83/87/473538387.db2.gz MHYCGDINANMCOO-HXUWFJFHSA-N 1 3 333.520 2.729 20 0 EFADHO CC(C)c1ccc([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168889895 473545419 /nfs/dbraw/zinc/54/54/19/473545419.db2.gz DZELFYKSEIPPGT-IBGZPJMESA-N 1 3 347.547 2.851 20 0 EFADHO C[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127078440 473574116 /nfs/dbraw/zinc/57/41/16/473574116.db2.gz WAEKELMVGYFWKM-HKUYNNGSSA-N 1 3 343.515 2.793 20 0 EFADHO CO[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000170817640 473621100 /nfs/dbraw/zinc/62/11/00/473621100.db2.gz BUNDWVIDRSNVGS-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000170817640 473621106 /nfs/dbraw/zinc/62/11/06/473621106.db2.gz BUNDWVIDRSNVGS-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CCC2CC2)CC1 ZINC000179245813 473662455 /nfs/dbraw/zinc/66/24/55/473662455.db2.gz RHQWTCBNJWTJMN-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000172712962 473674530 /nfs/dbraw/zinc/67/45/30/473674530.db2.gz OINLALRFRDQGND-LJQANCHMSA-N 1 3 331.504 2.834 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000179426558 473687168 /nfs/dbraw/zinc/68/71/68/473687168.db2.gz WRDMDRXGSXBPIM-OAHLLOKOSA-N 1 3 325.497 2.802 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000192519197 473688411 /nfs/dbraw/zinc/68/84/11/473688411.db2.gz GADZPKHJZLZPDX-OXJNMPFZSA-N 1 3 332.488 2.922 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172827674 473689674 /nfs/dbraw/zinc/68/96/74/473689674.db2.gz LTNALSJFHMKCDT-GOSISDBHSA-N 1 3 331.460 2.676 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000262660943 473707537 /nfs/dbraw/zinc/70/75/37/473707537.db2.gz GBNKFCPKLWKBQM-FUHIMQAGSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H](CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000262660946 473708241 /nfs/dbraw/zinc/70/82/41/473708241.db2.gz GBNKFCPKLWKBQM-UWVAXJGDSA-N 1 3 343.515 2.791 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192718852 473712100 /nfs/dbraw/zinc/71/21/00/473712100.db2.gz NYHMBKVKYANXNC-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192718852 473712108 /nfs/dbraw/zinc/71/21/08/473712108.db2.gz NYHMBKVKYANXNC-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO COc1ccccc1C[C@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192748051 473717984 /nfs/dbraw/zinc/71/79/84/473717984.db2.gz JWFFYFJGVAWXTA-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO COc1ccccc1C[C@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192748051 473717988 /nfs/dbraw/zinc/71/79/88/473717988.db2.gz JWFFYFJGVAWXTA-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262753635 473719967 /nfs/dbraw/zinc/71/99/67/473719967.db2.gz NXYZTJYUDDAATN-IEZWGBDMSA-N 1 3 347.478 2.766 20 0 EFADHO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192786058 473725036 /nfs/dbraw/zinc/72/50/36/473725036.db2.gz XJXZLXBNIISIFN-QGZVFWFLSA-N 1 3 346.519 2.712 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000269242315 473745338 /nfs/dbraw/zinc/74/53/38/473745338.db2.gz BRJWIQPIXZXBBG-RHSMWYFYSA-N 1 3 333.476 2.719 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000269242315 473745343 /nfs/dbraw/zinc/74/53/43/473745343.db2.gz BRJWIQPIXZXBBG-RHSMWYFYSA-N 1 3 333.476 2.719 20 0 EFADHO COc1cccc([C@H](CNC(=O)CCCCCC[NH3+])N2CCCC2)c1 ZINC000269244172 473747611 /nfs/dbraw/zinc/74/76/11/473747611.db2.gz SNINZQODNRKIBQ-IBGZPJMESA-N 1 3 347.503 2.858 20 0 EFADHO CCC[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000179892582 473749665 /nfs/dbraw/zinc/74/96/65/473749665.db2.gz RFOADZWJIIRWAV-HXUWFJFHSA-N 1 3 345.531 2.960 20 0 EFADHO CCC[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000179892564 473750466 /nfs/dbraw/zinc/75/04/66/473750466.db2.gz RFOADZWJIIRWAV-FQEVSTJZSA-N 1 3 345.531 2.960 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCN1C ZINC000269277248 473759456 /nfs/dbraw/zinc/75/94/56/473759456.db2.gz XXRNPICSRVBWBI-YJBOKZPZSA-N 1 3 342.487 2.545 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000245919549 473762209 /nfs/dbraw/zinc/76/22/09/473762209.db2.gz XLQYBDAPTBRCGP-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000245919549 473762216 /nfs/dbraw/zinc/76/22/16/473762216.db2.gz XLQYBDAPTBRCGP-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000173186034 473765599 /nfs/dbraw/zinc/76/55/99/473765599.db2.gz UZHYRGUSIIWUGS-CQSZACIVSA-N 1 3 329.444 2.566 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000173186034 473765604 /nfs/dbraw/zinc/76/56/04/473765604.db2.gz UZHYRGUSIIWUGS-CQSZACIVSA-N 1 3 329.444 2.566 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246048327 473775227 /nfs/dbraw/zinc/77/52/27/473775227.db2.gz XVUARONHZNIBSY-NCOADZHNSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246048327 473775231 /nfs/dbraw/zinc/77/52/31/473775231.db2.gz XVUARONHZNIBSY-NCOADZHNSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269331832 473776713 /nfs/dbraw/zinc/77/67/13/473776713.db2.gz DPCRUQXMQSPCAB-YVWKXTFCSA-N 1 3 329.488 2.545 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)CC(C)C ZINC000246144307 473788000 /nfs/dbraw/zinc/78/80/00/473788000.db2.gz CDOLGGUMCRXHEI-SQNIBIBYSA-N 1 3 340.556 2.725 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608666569 480065686 /nfs/dbraw/zinc/06/56/86/480065686.db2.gz PBISKARDYCMXBO-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608666569 480065690 /nfs/dbraw/zinc/06/56/90/480065690.db2.gz PBISKARDYCMXBO-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000274412720 473813456 /nfs/dbraw/zinc/81/34/56/473813456.db2.gz JKUSRUCYCVJRAY-OAGGEKHMSA-N 1 3 343.471 2.524 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000180155155 473813715 /nfs/dbraw/zinc/81/37/15/473813715.db2.gz WHXNVNJBGKZCSQ-ARFHVFGLSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000180155155 473813723 /nfs/dbraw/zinc/81/37/23/473813723.db2.gz WHXNVNJBGKZCSQ-ARFHVFGLSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000180155155 473813730 /nfs/dbraw/zinc/81/37/30/473813730.db2.gz WHXNVNJBGKZCSQ-ARFHVFGLSA-N 1 3 325.497 2.563 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC(C)(C)C ZINC000180161065 473814710 /nfs/dbraw/zinc/81/47/10/473814710.db2.gz MSXVDSVRWCWDBU-DSLXNQLJSA-N 1 3 343.515 2.790 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000173367884 473816792 /nfs/dbraw/zinc/81/67/92/473816792.db2.gz OACVZKRITHNVRI-UHFFFAOYSA-N 1 3 333.476 2.830 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000287994042 473819430 /nfs/dbraw/zinc/81/94/30/473819430.db2.gz BCNVYOSDJAUWFA-SFHVURJKSA-N 1 3 335.492 2.533 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000287994042 473819436 /nfs/dbraw/zinc/81/94/36/473819436.db2.gz BCNVYOSDJAUWFA-SFHVURJKSA-N 1 3 335.492 2.533 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000246316753 473826890 /nfs/dbraw/zinc/82/68/90/473826890.db2.gz NVALOORQXWIQNT-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000246316753 473826894 /nfs/dbraw/zinc/82/68/94/473826894.db2.gz NVALOORQXWIQNT-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1OC ZINC000173427843 473834934 /nfs/dbraw/zinc/83/49/34/473834934.db2.gz XMGWCTDOUQYDQE-CVEARBPZSA-N 1 3 348.487 2.855 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246352774 473837707 /nfs/dbraw/zinc/83/77/07/473837707.db2.gz JFCDBQCXPDAVDF-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246352774 473837713 /nfs/dbraw/zinc/83/77/13/473837713.db2.gz JFCDBQCXPDAVDF-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246352790 473837814 /nfs/dbraw/zinc/83/78/14/473837814.db2.gz JFCDBQCXPDAVDF-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000246352790 473837820 /nfs/dbraw/zinc/83/78/20/473837820.db2.gz JFCDBQCXPDAVDF-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000194088081 473841348 /nfs/dbraw/zinc/84/13/48/473841348.db2.gz GCWDKVAVRGAFIO-CEXWTWQISA-N 1 3 327.472 2.845 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000274479977 473843657 /nfs/dbraw/zinc/84/36/57/473843657.db2.gz MPVKHXJYGPZOEL-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410372 473856665 /nfs/dbraw/zinc/85/66/65/473856665.db2.gz RZPKWSUKBDLDLR-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410372 473856669 /nfs/dbraw/zinc/85/66/69/473856669.db2.gz RZPKWSUKBDLDLR-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000288149953 473859704 /nfs/dbraw/zinc/85/97/04/473859704.db2.gz NRWULYKPFHBNML-IEBWSBKVSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246428297 473860480 /nfs/dbraw/zinc/86/04/80/473860480.db2.gz MPTMRNSJZALTPM-IEBWSBKVSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246428297 473860483 /nfs/dbraw/zinc/86/04/83/473860483.db2.gz MPTMRNSJZALTPM-IEBWSBKVSA-N 1 3 346.519 2.709 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194231796 473863041 /nfs/dbraw/zinc/86/30/41/473863041.db2.gz KGSVEQPSHQWOTD-HXUWFJFHSA-N 1 3 329.488 2.871 20 0 EFADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000173518144 473863954 /nfs/dbraw/zinc/86/39/54/473863954.db2.gz LDJLZHWKBMDOIT-RTBURBONSA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000173518144 473863959 /nfs/dbraw/zinc/86/39/59/473863959.db2.gz LDJLZHWKBMDOIT-RTBURBONSA-N 1 3 344.503 2.516 20 0 EFADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180461266 473883895 /nfs/dbraw/zinc/88/38/95/473883895.db2.gz DAEMCIBPRDDZIQ-FHWLQOOXSA-N 1 3 343.515 2.649 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500700 473884408 /nfs/dbraw/zinc/88/44/08/473884408.db2.gz HRMMASSKPNITGJ-JBACZVJFSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246500700 473884413 /nfs/dbraw/zinc/88/44/13/473884413.db2.gz HRMMASSKPNITGJ-JBACZVJFSA-N 1 3 344.499 2.513 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288251296 473887821 /nfs/dbraw/zinc/88/78/21/473887821.db2.gz UKRIWYZUHVHMEX-WMZOPIPTSA-N 1 3 334.508 2.661 20 0 EFADHO COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173617763 473892377 /nfs/dbraw/zinc/89/23/77/473892377.db2.gz LDMYZNJKIGKOMW-HOTGVXAUSA-N 1 3 347.503 2.723 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CC[C@H](O)CC1)C1CCN(C)CC1 ZINC000269847687 473896004 /nfs/dbraw/zinc/89/60/04/473896004.db2.gz DUIWJMLYNIEHSO-UAPYVXQJSA-N 1 3 331.504 2.610 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000288360400 473920317 /nfs/dbraw/zinc/92/03/17/473920317.db2.gz KPXMJIXWFYRZNK-PXNSSMCTSA-N 1 3 341.499 2.981 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246708468 473938904 /nfs/dbraw/zinc/93/89/04/473938904.db2.gz GWIKYZVXYOBWDY-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000288470625 473951788 /nfs/dbraw/zinc/95/17/88/473951788.db2.gz JDGLAGLLHYGSHO-WMZOPIPTSA-N 1 3 346.519 2.536 20 0 EFADHO [NH3+]CCc1nc(C(=O)Nc2cccc(CN3CCCCC3)c2)cs1 ZINC000194829001 473960093 /nfs/dbraw/zinc/96/00/93/473960093.db2.gz PAAIZNKGHCJGHH-UHFFFAOYSA-N 1 3 344.484 2.883 20 0 EFADHO c1ccc2c(c1)[nH]c1c2C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000282163372 473966500 /nfs/dbraw/zinc/96/65/00/473966500.db2.gz DMPFYEPVZUYRMT-WBVHZDCISA-N 1 3 339.483 2.726 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957407 474014507 /nfs/dbraw/zinc/01/45/07/474014507.db2.gz IQVCHZOOQVDFLW-ZIAGYGMSSA-N 1 3 343.313 2.744 20 0 EFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000282212341 473983112 /nfs/dbraw/zinc/98/31/12/473983112.db2.gz OMQHPSKXJHFLMH-NHCUHLMSSA-N 1 3 345.531 2.729 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000174119259 473989701 /nfs/dbraw/zinc/98/97/01/473989701.db2.gz LCYDCNOTSRQZKF-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282234345 473990012 /nfs/dbraw/zinc/99/00/12/473990012.db2.gz IQUIUCIJALPUKV-IBGZPJMESA-N 1 3 331.504 2.688 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000174119273 473990018 /nfs/dbraw/zinc/99/00/18/473990018.db2.gz LCYDCNOTSRQZKF-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1cc(N2CCN(c3ccccc3OCCN(C)C)CC2)cc[nH+]1 ZINC000274862546 473993974 /nfs/dbraw/zinc/99/39/74/473993974.db2.gz DBFIYJRVQDTXCA-UHFFFAOYSA-N 1 3 340.471 2.657 20 0 EFADHO CCCCOc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282244889 473994974 /nfs/dbraw/zinc/99/49/74/473994974.db2.gz GFQULBOTIHOYPF-UHFFFAOYSA-N 1 3 333.520 2.981 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000288597473 473995216 /nfs/dbraw/zinc/99/52/16/473995216.db2.gz KHGWTKXTSVAHDH-GDBMZVCRSA-N 1 3 330.476 2.519 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000246895339 473995902 /nfs/dbraw/zinc/99/59/02/473995902.db2.gz FOVVZCOYKNDUSL-VHDGCEQUSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000246895339 473995906 /nfs/dbraw/zinc/99/59/06/473995906.db2.gz FOVVZCOYKNDUSL-VHDGCEQUSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)CN1CCCC1 ZINC000246902897 473997725 /nfs/dbraw/zinc/99/77/25/473997725.db2.gz FXEGFFAUYBHXIV-QWFCFKBJSA-N 1 3 330.520 2.614 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274917729 474011745 /nfs/dbraw/zinc/01/17/45/474011745.db2.gz OPQJKTJZJCJQAG-SCTDSRPQSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917729 474011750 /nfs/dbraw/zinc/01/17/50/474011750.db2.gz OPQJKTJZJCJQAG-SCTDSRPQSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917729 474011758 /nfs/dbraw/zinc/01/17/58/474011758.db2.gz OPQJKTJZJCJQAG-SCTDSRPQSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274917728 474011886 /nfs/dbraw/zinc/01/18/86/474011886.db2.gz OPQJKTJZJCJQAG-LNLFQRSKSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917728 474011893 /nfs/dbraw/zinc/01/18/93/474011893.db2.gz OPQJKTJZJCJQAG-LNLFQRSKSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917728 474011896 /nfs/dbraw/zinc/01/18/96/474011896.db2.gz OPQJKTJZJCJQAG-LNLFQRSKSA-N 1 3 331.504 2.791 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1(C)C ZINC000282298126 474013087 /nfs/dbraw/zinc/01/30/87/474013087.db2.gz JNPGAXAHZSZRJC-UHFFFAOYSA-N 1 3 338.499 2.864 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957407 474014513 /nfs/dbraw/zinc/01/45/13/474014513.db2.gz IQVCHZOOQVDFLW-ZIAGYGMSSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957407 474014519 /nfs/dbraw/zinc/01/45/19/474014519.db2.gz IQVCHZOOQVDFLW-ZIAGYGMSSA-N 1 3 343.313 2.744 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000246961155 474017430 /nfs/dbraw/zinc/01/74/30/474017430.db2.gz IQWVAMZCOGFLBK-QRVBRYPASA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2ccccc2n1 ZINC000282320311 474021897 /nfs/dbraw/zinc/02/18/97/474021897.db2.gz NOCCVNRACZQEIJ-MRXNPFEDSA-N 1 3 326.488 2.911 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264527901 474023489 /nfs/dbraw/zinc/02/34/89/474023489.db2.gz FVEVLDMSPMZGEO-OAHLLOKOSA-N 1 3 336.476 2.837 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[NH+]1CCC(C)CC1 ZINC000195254248 474040147 /nfs/dbraw/zinc/04/01/47/474040147.db2.gz ZKHBEBVDMSBAFV-MRXNPFEDSA-N 1 3 332.492 2.990 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CSCCc3ccccc32)CC1(C)C ZINC000282383583 474045082 /nfs/dbraw/zinc/04/50/82/474045082.db2.gz QTUHMKQUTTZZAV-SFHVURJKSA-N 1 3 333.545 2.633 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000247045395 474046937 /nfs/dbraw/zinc/04/69/37/474046937.db2.gz MXXKPCABYKNYRW-ICSRJNTNSA-N 1 3 333.520 2.849 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN(C)c2ccccc2)[C@@H](C)C1 ZINC000247045395 474046946 /nfs/dbraw/zinc/04/69/46/474046946.db2.gz MXXKPCABYKNYRW-ICSRJNTNSA-N 1 3 333.520 2.849 20 0 EFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000247056803 474050819 /nfs/dbraw/zinc/05/08/19/474050819.db2.gz NOQITJROMKWIST-FSNPWBFUSA-N 1 3 346.519 2.514 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000264608778 474057338 /nfs/dbraw/zinc/05/73/38/474057338.db2.gz GAAQKSJOUWFXMF-SFHVURJKSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000264608778 474057343 /nfs/dbraw/zinc/05/73/43/474057343.db2.gz GAAQKSJOUWFXMF-SFHVURJKSA-N 1 3 341.499 2.887 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCc3ccco3)CC2)CC1 ZINC000620365891 480078887 /nfs/dbraw/zinc/07/88/87/480078887.db2.gz XBEZTCOZVAFCGK-UHFFFAOYSA-N 1 3 347.503 2.525 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000247158563 474078327 /nfs/dbraw/zinc/07/83/27/474078327.db2.gz XNQZGBRWPJVKHQ-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000188392792 474080437 /nfs/dbraw/zinc/08/04/37/474080437.db2.gz FKGUSWDBBPERAB-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)N(C)Cc1ccccc1 ZINC000247211408 474089891 /nfs/dbraw/zinc/08/98/91/474089891.db2.gz XUVYQPRSNRLUHV-BHIYHBOVSA-N 1 3 346.519 2.679 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1(C)C ZINC000282505306 474090101 /nfs/dbraw/zinc/09/01/01/474090101.db2.gz WZVAOTAVTLPXEY-UHFFFAOYSA-N 1 3 345.409 2.701 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247254701 474101632 /nfs/dbraw/zinc/10/16/32/474101632.db2.gz ZYKUZLKRFBLYCJ-OXJNMPFZSA-N 1 3 347.503 2.872 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000270416316 474110272 /nfs/dbraw/zinc/11/02/72/474110272.db2.gz DEUPBEKGPFMDKE-XUVXKRRUSA-N 1 3 344.499 2.717 20 0 EFADHO C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000264741898 474111744 /nfs/dbraw/zinc/11/17/44/474111744.db2.gz GTVSHXMNIMQLHC-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000270418027 474112132 /nfs/dbraw/zinc/11/21/32/474112132.db2.gz DSYDLLZMMUHXIO-QXAKKESOSA-N 1 3 330.472 2.674 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000247299704 474113156 /nfs/dbraw/zinc/11/31/56/474113156.db2.gz IBYFWKFJWSTRHI-PKOBYXMFSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000247299704 474113161 /nfs/dbraw/zinc/11/31/61/474113161.db2.gz IBYFWKFJWSTRHI-PKOBYXMFSA-N 1 3 346.519 2.581 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247374800 474131498 /nfs/dbraw/zinc/13/14/98/474131498.db2.gz FOULADSYIVDEEI-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247374800 474131505 /nfs/dbraw/zinc/13/15/05/474131505.db2.gz FOULADSYIVDEEI-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644104 474139630 /nfs/dbraw/zinc/13/96/30/474139630.db2.gz BXDRAKRQCGEERC-RLLQIKCJSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644104 474139634 /nfs/dbraw/zinc/13/96/34/474139634.db2.gz BXDRAKRQCGEERC-RLLQIKCJSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644104 474139640 /nfs/dbraw/zinc/13/96/40/474139640.db2.gz BXDRAKRQCGEERC-RLLQIKCJSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644104 474139642 /nfs/dbraw/zinc/13/96/42/474139642.db2.gz BXDRAKRQCGEERC-RLLQIKCJSA-N 1 3 341.499 2.565 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000247543202 474177639 /nfs/dbraw/zinc/17/76/39/474177639.db2.gz YEVURQRZVWPKMP-MISYRCLQSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247543202 474177648 /nfs/dbraw/zinc/17/76/48/474177648.db2.gz YEVURQRZVWPKMP-MISYRCLQSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)CN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000223541572 474186753 /nfs/dbraw/zinc/18/67/53/474186753.db2.gz IGIAZBXULUXCJF-MRXNPFEDSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[NH+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)C ZINC000289220274 474187142 /nfs/dbraw/zinc/18/71/42/474187142.db2.gz CLKPRWOVBNUBBI-QZTJIDSGSA-N 1 3 346.471 2.916 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N(C3CC3)C3CCCC3)CC2)CC1 ZINC000175412685 474211122 /nfs/dbraw/zinc/21/11/22/474211122.db2.gz CWZAIHZMCDNTKM-UHFFFAOYSA-N 1 3 348.535 2.662 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000282840074 474213488 /nfs/dbraw/zinc/21/34/88/474213488.db2.gz SRLRHNIRTGVMCD-FFZOFVMBSA-N 1 3 332.488 2.548 20 0 EFADHO COc1ccc2oc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)cc2c1 ZINC000270669314 474213699 /nfs/dbraw/zinc/21/36/99/474213699.db2.gz VVPPIBIXJXYNEZ-MOPGFXCFSA-N 1 3 344.455 2.909 20 0 EFADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C(C)C ZINC000247925989 474227472 /nfs/dbraw/zinc/22/74/72/474227472.db2.gz BOYNIBOMWMHVOS-MOPGFXCFSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000247975913 474238136 /nfs/dbraw/zinc/23/81/36/474238136.db2.gz KVQRDUNIWFPRJX-UYAOXDASSA-N 1 3 330.520 2.758 20 0 EFADHO CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@@H](C)c1ccccc1 ZINC000275567750 474239257 /nfs/dbraw/zinc/23/92/57/474239257.db2.gz XQXYDAIKAJTDGU-LEUOFYLZSA-N 1 3 335.467 2.568 20 0 EFADHO CCCC[NH+]1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000229840751 474257283 /nfs/dbraw/zinc/25/72/83/474257283.db2.gz HFHNILSNFKVNPD-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO CC[N@@H+]1CC[C@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972318 474261739 /nfs/dbraw/zinc/26/17/39/474261739.db2.gz LQUFDOYQUSMFLM-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CC[N@H+]1CC[C@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972318 474261749 /nfs/dbraw/zinc/26/17/49/474261749.db2.gz LQUFDOYQUSMFLM-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CCN1CC[C@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972318 474261753 /nfs/dbraw/zinc/26/17/53/474261753.db2.gz LQUFDOYQUSMFLM-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CN(C)C/C=C/C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000265606031 474267147 /nfs/dbraw/zinc/26/71/47/474267147.db2.gz DEJJUUCJUAZVEO-DHZHZOJOSA-N 1 3 329.488 2.797 20 0 EFADHO C[C@@H](CCNC(=O)N1CCC[C@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175646438 474272417 /nfs/dbraw/zinc/27/24/17/474272417.db2.gz QDEQRKMNQBKZQX-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N1CCC[C@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646438 474272427 /nfs/dbraw/zinc/27/24/27/474272427.db2.gz QDEQRKMNQBKZQX-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CN(CCCN(C)Cc1cc(-c2ccccc2)no1)CC[NH+](C)C ZINC000289446371 474274263 /nfs/dbraw/zinc/27/42/63/474274263.db2.gz OUPCNSXKGIWLKC-UHFFFAOYSA-N 1 3 330.476 2.657 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000236656043 474277586 /nfs/dbraw/zinc/27/75/86/474277586.db2.gz CROIMVGNMZJMDT-HXUWFJFHSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000236656043 474277592 /nfs/dbraw/zinc/27/75/92/474277592.db2.gz CROIMVGNMZJMDT-HXUWFJFHSA-N 1 3 339.483 2.886 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000236659281 474277959 /nfs/dbraw/zinc/27/79/59/474277959.db2.gz MJEIMCUNDJAEPM-GOSISDBHSA-N 1 3 329.488 2.847 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236659198 474278017 /nfs/dbraw/zinc/27/80/17/474278017.db2.gz SGNKEMHNHKROOK-LJQANCHMSA-N 1 3 329.488 2.575 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2([NH3+])CCCC2)c2ccccc2)CC1 ZINC000236650271 474278048 /nfs/dbraw/zinc/27/80/48/474278048.db2.gz ILTWGYUNLATKSB-SFHVURJKSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265649499 474281613 /nfs/dbraw/zinc/28/16/13/474281613.db2.gz NXEOLBOCHWORJP-JKNJVXJCSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265649499 474281617 /nfs/dbraw/zinc/28/16/17/474281617.db2.gz NXEOLBOCHWORJP-JKNJVXJCSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275698872 474287526 /nfs/dbraw/zinc/28/75/26/474287526.db2.gz SLZHAPUJJKRTJA-MRXNPFEDSA-N 1 3 346.519 2.985 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069015 474290459 /nfs/dbraw/zinc/29/04/59/474290459.db2.gz JZHDIYKLOLVKOU-QUCCMNQESA-N 1 3 343.515 2.955 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069015 474290465 /nfs/dbraw/zinc/29/04/65/474290465.db2.gz JZHDIYKLOLVKOU-QUCCMNQESA-N 1 3 343.515 2.955 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000236907576 474300084 /nfs/dbraw/zinc/30/00/84/474300084.db2.gz QNAKZAWWLZYRGW-FQEVSTJZSA-N 1 3 339.483 2.715 20 0 EFADHO CC(C)CNC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248401733 474308661 /nfs/dbraw/zinc/30/86/61/474308661.db2.gz SMDXDAJACRHOEK-YRWFTTLQSA-N 1 3 331.504 2.505 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H](N)Cc2ccccc2)[NH+](C)C)cc1 ZINC000236959917 474311487 /nfs/dbraw/zinc/31/14/87/474311487.db2.gz AFGDLVUFEAMDCK-WOJBJXKFSA-N 1 3 339.483 2.538 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409003 474312841 /nfs/dbraw/zinc/31/28/41/474312841.db2.gz WCJJWZQSWDOESX-BMFAXAFESA-N 1 3 348.535 2.518 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409003 474312846 /nfs/dbraw/zinc/31/28/46/474312846.db2.gz WCJJWZQSWDOESX-BMFAXAFESA-N 1 3 348.535 2.518 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000265733552 474313161 /nfs/dbraw/zinc/31/31/61/474313161.db2.gz RPOCUQAKVDSDIQ-XCUKTARSSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000265733552 474313166 /nfs/dbraw/zinc/31/31/66/474313166.db2.gz RPOCUQAKVDSDIQ-XCUKTARSSA-N 1 3 329.488 2.616 20 0 EFADHO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1CC[NH2+]CC1 ZINC000236971912 474314569 /nfs/dbraw/zinc/31/45/69/474314569.db2.gz BKZTWIZCOHMVMU-UHFFFAOYSA-N 1 3 343.393 2.754 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000236980127 474315815 /nfs/dbraw/zinc/31/58/15/474315815.db2.gz NMANNPSZVZBSSK-JXFKEZNVSA-N 1 3 345.531 2.994 20 0 EFADHO C[C@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@@H+]1C ZINC000183079156 474322772 /nfs/dbraw/zinc/32/27/72/474322772.db2.gz GVCXUMFYFRCAPK-OXJNMPFZSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@H+]1C ZINC000183079156 474322776 /nfs/dbraw/zinc/32/27/76/474322776.db2.gz GVCXUMFYFRCAPK-OXJNMPFZSA-N 1 3 331.504 2.786 20 0 EFADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C(C)(C)O1 ZINC000248448148 474326423 /nfs/dbraw/zinc/32/64/23/474326423.db2.gz NTOSCGSADWHNEE-QZTJIDSGSA-N 1 3 332.488 2.689 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237136195 474344434 /nfs/dbraw/zinc/34/44/34/474344434.db2.gz NLEMZMZNANAFNX-MOPGFXCFSA-N 1 3 325.456 2.886 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237190796 474353691 /nfs/dbraw/zinc/35/36/91/474353691.db2.gz NLEMZMZNANAFNX-RTBURBONSA-N 1 3 325.456 2.886 20 0 EFADHO COC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000275908923 474359379 /nfs/dbraw/zinc/35/93/79/474359379.db2.gz UELPHIAJUCXPET-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000176010833 474363266 /nfs/dbraw/zinc/36/32/66/474363266.db2.gz IQWVAMZCOGFLBK-QYZOEREBSA-N 1 3 346.519 2.770 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000265866724 474366241 /nfs/dbraw/zinc/36/62/41/474366241.db2.gz UIFMJWCDXCJWGV-CYBMUJFWSA-N 1 3 334.851 2.816 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000265866724 474366246 /nfs/dbraw/zinc/36/62/46/474366246.db2.gz UIFMJWCDXCJWGV-CYBMUJFWSA-N 1 3 334.851 2.816 20 0 EFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248593658 474370102 /nfs/dbraw/zinc/37/01/02/474370102.db2.gz RYZHFPBZUHVSFF-YQVWRLOYSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248593658 474370108 /nfs/dbraw/zinc/37/01/08/474370108.db2.gz RYZHFPBZUHVSFF-YQVWRLOYSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000248593658 474370117 /nfs/dbraw/zinc/37/01/17/474370117.db2.gz RYZHFPBZUHVSFF-YQVWRLOYSA-N 1 3 332.488 2.669 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237321586 474380854 /nfs/dbraw/zinc/38/08/54/474380854.db2.gz CYWGQIUTIUVWBW-YJBOKZPZSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237321586 474380858 /nfs/dbraw/zinc/38/08/58/474380858.db2.gz CYWGQIUTIUVWBW-YJBOKZPZSA-N 1 3 349.544 2.758 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289698378 474382856 /nfs/dbraw/zinc/38/28/56/474382856.db2.gz IMLIFZQUNFGWJX-RCCFBDPRSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289698378 474382860 /nfs/dbraw/zinc/38/28/60/474382860.db2.gz IMLIFZQUNFGWJX-RCCFBDPRSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)s1 ZINC000289698378 474382867 /nfs/dbraw/zinc/38/28/67/474382867.db2.gz IMLIFZQUNFGWJX-RCCFBDPRSA-N 1 3 342.512 2.889 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237374412 474391051 /nfs/dbraw/zinc/39/10/51/474391051.db2.gz IMYJZQFTLAGFSF-NZSAHSFTSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000265938174 474394334 /nfs/dbraw/zinc/39/43/34/474394334.db2.gz GTGPYGWZPGICRL-LPHOPBHVSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237404510 474396562 /nfs/dbraw/zinc/39/65/62/474396562.db2.gz DVJBBIRAXAETJH-XLIONFOSSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237420697 474400806 /nfs/dbraw/zinc/40/08/06/474400806.db2.gz ZKJAOTIDFKWZCT-JENIJYKNSA-N 1 3 329.488 2.657 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669320 474401771 /nfs/dbraw/zinc/40/17/71/474401771.db2.gz RLFAQUXCYBBELI-CRAIPNDOSA-N 1 3 325.497 2.565 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000237464707 474411101 /nfs/dbraw/zinc/41/11/01/474411101.db2.gz YECUQSAPTIVESA-LPHOPBHVSA-N 1 3 331.504 2.740 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@@H](C)O1 ZINC000248724924 474417114 /nfs/dbraw/zinc/41/71/14/474417114.db2.gz HTUGULYSYWNZQA-IEWDOMPSSA-N 1 3 336.520 2.813 20 0 EFADHO CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248734257 474420029 /nfs/dbraw/zinc/42/00/29/474420029.db2.gz PJJUYJWKHKDCIV-XKGZKEIXSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCCN2)CCCC1)c1ccccc1 ZINC000237525978 474422543 /nfs/dbraw/zinc/42/25/43/474422543.db2.gz VRPSYOJOHPNZNR-FUHWJXTLSA-N 1 3 329.488 2.908 20 0 EFADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248745457 474422857 /nfs/dbraw/zinc/42/28/57/474422857.db2.gz RWXMYRIZIILVKO-OXQOHEQNSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248745457 474422867 /nfs/dbraw/zinc/42/28/67/474422867.db2.gz RWXMYRIZIILVKO-OXQOHEQNSA-N 1 3 325.456 2.807 20 0 EFADHO O=C(CN1C[C@H]2CCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176261016 474423735 /nfs/dbraw/zinc/42/37/35/474423735.db2.gz XKMSPNSRNACZMX-WOJBJXKFSA-N 1 3 341.499 2.631 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237528823 474424113 /nfs/dbraw/zinc/42/41/13/474424113.db2.gz NXPSJSZADCXFNK-KANFNMMFSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237547972 474426914 /nfs/dbraw/zinc/42/69/14/474426914.db2.gz NXYZTJYUDDAATN-KVSKMBFKSA-N 1 3 347.478 2.766 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237561422 474429835 /nfs/dbraw/zinc/42/98/35/474429835.db2.gz NXPSJSZADCXFNK-AITUJVMLSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237562327 474429866 /nfs/dbraw/zinc/42/98/66/474429866.db2.gz GTYSLLIDTJYPCD-FUHWJXTLSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237562327 474429873 /nfs/dbraw/zinc/42/98/73/474429873.db2.gz GTYSLLIDTJYPCD-FUHWJXTLSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237566739 474430010 /nfs/dbraw/zinc/43/00/10/474430010.db2.gz LGOCJTOKBGTCTR-APWZRJJASA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237560378 474430142 /nfs/dbraw/zinc/43/01/42/474430142.db2.gz DQIZFHCDADOCHW-FUHWJXTLSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237569555 474431516 /nfs/dbraw/zinc/43/15/16/474431516.db2.gz IZBJEIWFSAEKTC-IMFGXOCKSA-N 1 3 329.488 2.688 20 0 EFADHO COC[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000271189212 474431732 /nfs/dbraw/zinc/43/17/32/474431732.db2.gz OUJDFXNCJPYPAN-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO COC[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000271189212 474431743 /nfs/dbraw/zinc/43/17/43/474431743.db2.gz OUJDFXNCJPYPAN-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000237579908 474432524 /nfs/dbraw/zinc/43/25/24/474432524.db2.gz RGPOLIDFKPWECW-VQIMIIECSA-N 1 3 325.456 2.917 20 0 EFADHO C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000276155803 474434131 /nfs/dbraw/zinc/43/41/31/474434131.db2.gz GWYMKBUKFFWMPB-QGZVFWFLSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237634817 474445668 /nfs/dbraw/zinc/44/56/68/474445668.db2.gz DBOCDDMQWSMKHD-DNVCBOLYSA-N 1 3 341.455 2.902 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283606235 474447864 /nfs/dbraw/zinc/44/78/64/474447864.db2.gz QSULFGLOBXIJKL-SFHVURJKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283606235 474447872 /nfs/dbraw/zinc/44/78/72/474447872.db2.gz QSULFGLOBXIJKL-SFHVURJKSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000237645600 474448716 /nfs/dbraw/zinc/44/87/16/474448716.db2.gz XYJAGQAYNFZXAM-MOPGFXCFSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237652191 474449678 /nfs/dbraw/zinc/44/96/78/474449678.db2.gz OFAYHGZGGNIQCA-ZIFCJYIRSA-N 1 3 331.504 2.649 20 0 EFADHO COc1ccccc1CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000271226804 474451872 /nfs/dbraw/zinc/45/18/72/474451872.db2.gz RPAZBQXZCFUGAU-UHFFFAOYSA-N 1 3 331.504 2.686 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237682851 474457004 /nfs/dbraw/zinc/45/70/04/474457004.db2.gz JFJMYBGZXDYBNI-HOJAQTOUSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237682851 474457009 /nfs/dbraw/zinc/45/70/09/474457009.db2.gz JFJMYBGZXDYBNI-HOJAQTOUSA-N 1 3 343.515 2.669 20 0 EFADHO Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237720978 474464300 /nfs/dbraw/zinc/46/43/00/474464300.db2.gz STACLFQCOAICCT-FQEVSTJZSA-N 1 3 345.487 2.798 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000237729049 474465843 /nfs/dbraw/zinc/46/58/43/474465843.db2.gz OLMUWBMVOHUNDM-FQEVSTJZSA-N 1 3 329.488 2.608 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289905456 474478208 /nfs/dbraw/zinc/47/82/08/474478208.db2.gz NBZSAJWJLFDAEY-OGWHTMIXSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000266781904 474481872 /nfs/dbraw/zinc/48/18/72/474481872.db2.gz NERXLDOFKAAYFT-LBPRGKRZSA-N 1 3 327.266 2.556 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000271315435 474486212 /nfs/dbraw/zinc/48/62/12/474486212.db2.gz SBIZGCLWBHCJIT-KRWDZBQOSA-N 1 3 331.460 2.527 20 0 EFADHO CC[C@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000248940537 474487822 /nfs/dbraw/zinc/48/78/22/474487822.db2.gz COGZODBKPYXVSU-ZACQAIPSSA-N 1 3 331.504 2.647 20 0 EFADHO [NH3+]CCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000237856673 474488536 /nfs/dbraw/zinc/48/85/36/474488536.db2.gz WBAJADXDFFYTJK-UHFFFAOYSA-N 1 3 325.456 2.544 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000237890948 474496199 /nfs/dbraw/zinc/49/61/99/474496199.db2.gz IABSJPWZSAGDHT-WOJBJXKFSA-N 1 3 343.515 2.849 20 0 EFADHO [NH3+]C1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCCCC1 ZINC000237913820 474501714 /nfs/dbraw/zinc/50/17/14/474501714.db2.gz FKKKBJOLTKNOEE-UHFFFAOYSA-N 1 3 335.517 2.738 20 0 EFADHO [NH3+]C1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCCC1 ZINC000237923310 474505398 /nfs/dbraw/zinc/50/53/98/474505398.db2.gz PRXRQJGWMBRGKG-HNNXBMFYSA-N 1 3 335.517 2.738 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CCO1 ZINC000249035502 474508455 /nfs/dbraw/zinc/50/84/55/474508455.db2.gz SHZOXXPXUNIPKZ-ZNDGOPKYSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CCO1 ZINC000249035502 474508463 /nfs/dbraw/zinc/50/84/63/474508463.db2.gz SHZOXXPXUNIPKZ-ZNDGOPKYSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)CCO1 ZINC000249035502 474508469 /nfs/dbraw/zinc/50/84/69/474508469.db2.gz SHZOXXPXUNIPKZ-ZNDGOPKYSA-N 1 3 343.515 2.622 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000176618401 474509112 /nfs/dbraw/zinc/50/91/12/474509112.db2.gz JEMAQHWEAXOBDL-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000237958597 474511539 /nfs/dbraw/zinc/51/15/39/474511539.db2.gz XQPBMYFDZVQZKS-INIZCTEOSA-N 1 3 335.517 2.781 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NCC2CCN(Cc3cccs3)CC2)cc1 ZINC000237965379 474512394 /nfs/dbraw/zinc/51/23/94/474512394.db2.gz CTZZEPKKHNXOIT-UHFFFAOYSA-N 1 3 343.496 2.849 20 0 EFADHO [NH3+]CCCCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000237983486 474515752 /nfs/dbraw/zinc/51/57/52/474515752.db2.gz ILBQMMHKQKWDQZ-UHFFFAOYSA-N 1 3 337.533 2.986 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000238026659 474523349 /nfs/dbraw/zinc/52/33/49/474523349.db2.gz OXHFTDLDPVBQCM-IAGOWNOFSA-N 1 3 343.496 2.744 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCCCN1 ZINC000238030171 474524327 /nfs/dbraw/zinc/52/43/27/474524327.db2.gz SGRWOQWIDWOQKB-IBGZPJMESA-N 1 3 329.488 2.821 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCC2 ZINC000290018513 474529062 /nfs/dbraw/zinc/52/90/62/474529062.db2.gz CAZWLDHYWGAOMG-RBUKOAKNSA-N 1 3 347.503 2.849 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCCCN1 ZINC000238074515 474530970 /nfs/dbraw/zinc/53/09/70/474530970.db2.gz GYKQTGMPEJXYNP-LJQANCHMSA-N 1 3 329.488 2.821 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2scnc2C)[C@H](C)C1 ZINC000190003451 474533723 /nfs/dbraw/zinc/53/37/23/474533723.db2.gz OUHVQNILPVKLOC-ZBFHGGJFSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2scnc2C)[C@H](C)C1 ZINC000190003451 474533731 /nfs/dbraw/zinc/53/37/31/474533731.db2.gz OUHVQNILPVKLOC-ZBFHGGJFSA-N 1 3 325.522 2.721 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000623015065 480110826 /nfs/dbraw/zinc/11/08/26/480110826.db2.gz AMYHXUMSMPKCRK-LPHOPBHVSA-N 1 3 333.520 2.503 20 0 EFADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000623015065 480110832 /nfs/dbraw/zinc/11/08/32/480110832.db2.gz AMYHXUMSMPKCRK-LPHOPBHVSA-N 1 3 333.520 2.503 20 0 EFADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000284011460 474550273 /nfs/dbraw/zinc/55/02/73/474550273.db2.gz IEGZPWXQVYQMDQ-ROUUACIJSA-N 1 3 338.517 2.584 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000284011460 474550278 /nfs/dbraw/zinc/55/02/78/474550278.db2.gz IEGZPWXQVYQMDQ-ROUUACIJSA-N 1 3 338.517 2.584 20 0 EFADHO CO[C@@]1(C)C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000249292515 474554618 /nfs/dbraw/zinc/55/46/18/474554618.db2.gz PZZNMHRCMNYSEQ-MJGOQNOKSA-N 1 3 325.541 2.538 20 0 EFADHO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000249292515 474554625 /nfs/dbraw/zinc/55/46/25/474554625.db2.gz PZZNMHRCMNYSEQ-MJGOQNOKSA-N 1 3 325.541 2.538 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)N(C)CCN(C)C)c2)CC1 ZINC000271454992 474554981 /nfs/dbraw/zinc/55/49/81/474554981.db2.gz SJOXZEOUHWUBTC-UHFFFAOYSA-N 1 3 346.519 2.986 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000249402239 474567597 /nfs/dbraw/zinc/56/75/97/474567597.db2.gz CHKRQXZLHOXSRZ-LPHOPBHVSA-N 1 3 348.487 2.700 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000245395709 474578384 /nfs/dbraw/zinc/57/83/84/474578384.db2.gz IQKSJZMVWLGLFZ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1c(-c2cc(CN3CCC(CCC[NH+](C)C)CC3)on2)cnn1C ZINC000184704870 474589577 /nfs/dbraw/zinc/58/95/77/474589577.db2.gz AOXRNIAEDBOSSG-UHFFFAOYSA-N 1 3 345.491 2.937 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000284206300 474595027 /nfs/dbraw/zinc/59/50/27/474595027.db2.gz SLMXOVOCMLYPRP-PKOBYXMFSA-N 1 3 341.503 2.556 20 0 EFADHO CCN(CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000184748309 474599880 /nfs/dbraw/zinc/59/98/80/474599880.db2.gz LNFJHSQWHSCROC-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000284236614 474600251 /nfs/dbraw/zinc/60/02/51/474600251.db2.gz UXGDJSXEYJYTLS-HXUWFJFHSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(O)c1 ZINC000249649564 474602214 /nfs/dbraw/zinc/60/22/14/474602214.db2.gz YLMGLFTTWZOOSL-MGPUTAFESA-N 1 3 326.440 2.810 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(O)c1 ZINC000249649564 474602222 /nfs/dbraw/zinc/60/22/22/474602222.db2.gz YLMGLFTTWZOOSL-MGPUTAFESA-N 1 3 326.440 2.810 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249752023 474611383 /nfs/dbraw/zinc/61/13/83/474611383.db2.gz BGKCCRDHKBPFQK-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000249752023 474611387 /nfs/dbraw/zinc/61/13/87/474611387.db2.gz BGKCCRDHKBPFQK-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000249762285 474612634 /nfs/dbraw/zinc/61/26/34/474612634.db2.gz XLMWLPJTWHYGDE-BRWVUGGUSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267204543 474616798 /nfs/dbraw/zinc/61/67/98/474616798.db2.gz GLDUDMMRZIZEKO-AZUAARDMSA-N 1 3 331.504 2.524 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249821806 474617740 /nfs/dbraw/zinc/61/77/40/474617740.db2.gz NWYHRTHPCNGJQA-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249821806 474617745 /nfs/dbraw/zinc/61/77/45/474617745.db2.gz NWYHRTHPCNGJQA-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO COc1ccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000291631977 474636533 /nfs/dbraw/zinc/63/65/33/474636533.db2.gz DHLMCENHNDRNPJ-ICSRJNTNSA-N 1 3 332.488 2.925 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000267306827 474644196 /nfs/dbraw/zinc/64/41/96/474644196.db2.gz RTTBHWOLSLOMCH-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267339143 474651712 /nfs/dbraw/zinc/65/17/12/474651712.db2.gz NHEVMLVBBPMMRL-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278476772 474655274 /nfs/dbraw/zinc/65/52/74/474655274.db2.gz KEUXCUSERVTTOL-HOTGVXAUSA-N 1 3 333.476 2.797 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278476772 474655278 /nfs/dbraw/zinc/65/52/78/474655278.db2.gz KEUXCUSERVTTOL-HOTGVXAUSA-N 1 3 333.476 2.797 20 0 EFADHO [NH3+][C@@H](CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000304913118 474667016 /nfs/dbraw/zinc/66/70/16/474667016.db2.gz KVILQYPZDCOUJY-PMACEKPBSA-N 1 3 337.467 2.857 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000291768852 474677081 /nfs/dbraw/zinc/67/70/81/474677081.db2.gz MKTOFQVQTOLNAT-JXFKEZNVSA-N 1 3 341.499 2.640 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1)C1CCN(C)CC1 ZINC000305097333 474689998 /nfs/dbraw/zinc/68/99/98/474689998.db2.gz VKIJVVMURKLHKG-FXAWDEMLSA-N 1 3 345.531 2.858 20 0 EFADHO COc1ccc(CNCC2CC[NH+](C3CC3)CC2)c(OC)c1OC ZINC000278542562 474691563 /nfs/dbraw/zinc/69/15/63/474691563.db2.gz XNNVLCJQBDKHPI-UHFFFAOYSA-N 1 3 334.460 2.676 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000252696272 474709975 /nfs/dbraw/zinc/70/99/75/474709975.db2.gz XQDVLUKPLCWBGL-HBMCJLEFSA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000252696272 474709978 /nfs/dbraw/zinc/70/99/78/474709978.db2.gz XQDVLUKPLCWBGL-HBMCJLEFSA-N 1 3 346.515 2.759 20 0 EFADHO CN(C)C(=O)COc1ccccc1CNCCCCC[NH+]1CCCC1 ZINC000292912429 474710610 /nfs/dbraw/zinc/71/06/10/474710610.db2.gz FMJBJTIPOCGOQG-UHFFFAOYSA-N 1 3 347.503 2.509 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000338900584 474715025 /nfs/dbraw/zinc/71/50/25/474715025.db2.gz IJDXMSMEZYTLHO-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000340855353 474719695 /nfs/dbraw/zinc/71/96/95/474719695.db2.gz AMXJXHSYBKORGG-LZQZEXGQSA-N 1 3 346.519 2.634 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000340855353 474719703 /nfs/dbraw/zinc/71/97/03/474719703.db2.gz AMXJXHSYBKORGG-LZQZEXGQSA-N 1 3 346.519 2.634 20 0 EFADHO CN(c1ccccc1C[NH2+]C1CCC(O)CC1)C1CCN(C)CC1 ZINC000267976400 474732976 /nfs/dbraw/zinc/73/29/76/474732976.db2.gz DUIWJMLYNIEHSO-UHFFFAOYSA-N 1 3 331.504 2.610 20 0 EFADHO CCOc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292964892 474737757 /nfs/dbraw/zinc/73/77/57/474737757.db2.gz LSBOGFLNDMYEFN-HXUWFJFHSA-N 1 3 345.487 2.832 20 0 EFADHO CCOc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292964892 474737760 /nfs/dbraw/zinc/73/77/60/474737760.db2.gz LSBOGFLNDMYEFN-HXUWFJFHSA-N 1 3 345.487 2.832 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000267999916 474745363 /nfs/dbraw/zinc/74/53/63/474745363.db2.gz RWIMKELWHCLKFE-LPHOPBHVSA-N 1 3 341.499 2.640 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636722 474749994 /nfs/dbraw/zinc/74/99/94/474749994.db2.gz ORMIPJRAEFTCMM-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636722 474749997 /nfs/dbraw/zinc/74/99/97/474749997.db2.gz ORMIPJRAEFTCMM-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000292999481 474756350 /nfs/dbraw/zinc/75/63/50/474756350.db2.gz OTTHUSXLEFTOTI-FQEVSTJZSA-N 1 3 343.471 2.636 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000292999481 474756355 /nfs/dbraw/zinc/75/63/55/474756355.db2.gz OTTHUSXLEFTOTI-FQEVSTJZSA-N 1 3 343.471 2.636 20 0 EFADHO CC[NH2+]CCCNC(=O)N1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000634086288 480124079 /nfs/dbraw/zinc/12/40/79/480124079.db2.gz NLNDBDLUFGQOQB-UHFFFAOYSA-N 1 3 326.529 2.528 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000344567664 474763604 /nfs/dbraw/zinc/76/36/04/474763604.db2.gz UIJKQOCZQGBOFO-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CCCCOC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000337210213 474786101 /nfs/dbraw/zinc/78/61/01/474786101.db2.gz CDAJNLVUFGJTRP-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000340937138 474797117 /nfs/dbraw/zinc/79/71/17/474797117.db2.gz PWWQCWPDVDGNKW-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000338979305 474797707 /nfs/dbraw/zinc/79/77/07/474797707.db2.gz HNWAKMJDJBLYCO-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000338979305 474797717 /nfs/dbraw/zinc/79/77/17/474797717.db2.gz HNWAKMJDJBLYCO-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000623062755 480126998 /nfs/dbraw/zinc/12/69/98/480126998.db2.gz ZZYUAZHGCQVGCX-SFHVURJKSA-N 1 3 344.503 2.992 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cnnn1Cc1ccccc1 ZINC000292025534 474807107 /nfs/dbraw/zinc/80/71/07/474807107.db2.gz XPQDMZHPQUEVED-QGZVFWFLSA-N 1 3 329.492 2.927 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884655 474811218 /nfs/dbraw/zinc/81/12/18/474811218.db2.gz REBINVNBQFQTLI-GTAWCEEGSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884655 474811221 /nfs/dbraw/zinc/81/12/21/474811221.db2.gz REBINVNBQFQTLI-GTAWCEEGSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884655 474811224 /nfs/dbraw/zinc/81/12/24/474811224.db2.gz REBINVNBQFQTLI-GTAWCEEGSA-N 1 3 331.504 2.521 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)CC(C)C ZINC000340953528 474813781 /nfs/dbraw/zinc/81/37/81/474813781.db2.gz CFVYPMOBRHDKTE-BBWFWOEESA-N 1 3 326.529 2.525 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000623066687 480127614 /nfs/dbraw/zinc/12/76/14/480127614.db2.gz MVIBWJFNXJJKKI-GOSISDBHSA-N 1 3 344.503 2.992 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000340957629 474817656 /nfs/dbraw/zinc/81/76/56/474817656.db2.gz IPMSGJODBYVJTN-JQHSSLGASA-N 1 3 338.540 2.669 20 0 EFADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000284895523 474817734 /nfs/dbraw/zinc/81/77/34/474817734.db2.gz UMVVLTXZZHYXEK-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000340962474 474823227 /nfs/dbraw/zinc/82/32/27/474823227.db2.gz IDTXRFZDJVHFEI-BZSNNMDCSA-N 1 3 338.540 2.669 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCN1CC)[NH+]1CCCC1 ZINC000340964513 474826195 /nfs/dbraw/zinc/82/61/95/474826195.db2.gz LQARASMMTPBHQZ-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO [NH3+]CCCCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310424106 474827118 /nfs/dbraw/zinc/82/71/18/474827118.db2.gz ZRHNHKXMGSUTPU-LJQANCHMSA-N 1 3 331.504 2.924 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000310867154 474828270 /nfs/dbraw/zinc/82/82/70/474828270.db2.gz DWZFXWAEGDJDQR-KRWDZBQOSA-N 1 3 335.451 2.542 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000310867154 474828279 /nfs/dbraw/zinc/82/82/79/474828279.db2.gz DWZFXWAEGDJDQR-KRWDZBQOSA-N 1 3 335.451 2.542 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000623066688 480128328 /nfs/dbraw/zinc/12/83/28/480128328.db2.gz MVIBWJFNXJJKKI-SFHVURJKSA-N 1 3 344.503 2.992 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311211760 474836368 /nfs/dbraw/zinc/83/63/68/474836368.db2.gz PNJLIJNJEPCWGI-HXUWFJFHSA-N 1 3 343.515 2.795 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000311418815 474838685 /nfs/dbraw/zinc/83/86/85/474838685.db2.gz DPTOOCCZWDXOCM-SFHVURJKSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000311418815 474838694 /nfs/dbraw/zinc/83/86/94/474838694.db2.gz DPTOOCCZWDXOCM-SFHVURJKSA-N 1 3 349.478 2.932 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000278816674 474852001 /nfs/dbraw/zinc/85/20/01/474852001.db2.gz PCDKUXQGDZZGQQ-DNVCBOLYSA-N 1 3 329.488 2.668 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000340999433 474866358 /nfs/dbraw/zinc/86/63/58/474866358.db2.gz FOUSREHYYYYGJZ-SFHVURJKSA-N 1 3 327.472 2.639 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341007571 474874233 /nfs/dbraw/zinc/87/42/33/474874233.db2.gz ARNLYCAHYYUIIQ-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341007571 474874236 /nfs/dbraw/zinc/87/42/36/474874236.db2.gz ARNLYCAHYYUIIQ-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000278862338 474878222 /nfs/dbraw/zinc/87/82/22/474878222.db2.gz RDURDCREJRVYIR-TXVWBRJLSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000278862338 474878228 /nfs/dbraw/zinc/87/82/28/474878228.db2.gz RDURDCREJRVYIR-TXVWBRJLSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000278862338 474878238 /nfs/dbraw/zinc/87/82/38/474878238.db2.gz RDURDCREJRVYIR-TXVWBRJLSA-N 1 3 344.499 2.681 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1ncc(-c2ccccc2)s1 ZINC000623087753 480132370 /nfs/dbraw/zinc/13/23/70/480132370.db2.gz HBGDOGIVWRYGIR-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1ncc(-c2ccccc2)s1 ZINC000623087753 480132376 /nfs/dbraw/zinc/13/23/76/480132376.db2.gz HBGDOGIVWRYGIR-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO CN(CCCNCc1ncc(-c2ccccc2)s1)CC[NH+](C)C ZINC000623087753 480132383 /nfs/dbraw/zinc/13/23/83/480132383.db2.gz HBGDOGIVWRYGIR-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO Oc1cccc2c1CCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000285112518 474895394 /nfs/dbraw/zinc/89/53/94/474895394.db2.gz KUOBQMNPJSEYQT-CMKODMSKSA-N 1 3 330.472 2.737 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000339071056 474900581 /nfs/dbraw/zinc/90/05/81/474900581.db2.gz PTJVMRHWCRQCFH-HUUCEWRRSA-N 1 3 342.409 3.119 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000339071056 474900584 /nfs/dbraw/zinc/90/05/84/474900584.db2.gz PTJVMRHWCRQCFH-HUUCEWRRSA-N 1 3 342.409 3.119 20 0 EFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCC[C@H]1C ZINC000337328746 474901242 /nfs/dbraw/zinc/90/12/42/474901242.db2.gz FGNSFSUGCIYSFT-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCCC[C@@H]1C ZINC000337328989 474901816 /nfs/dbraw/zinc/90/18/16/474901816.db2.gz FLJAZDUWMBCSFR-IRXDYDNUSA-N 1 3 338.540 2.861 20 0 EFADHO CCc1cc(OC)ccc1C[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000337332938 474907279 /nfs/dbraw/zinc/90/72/79/474907279.db2.gz ISUOKHRYCRMIMX-MRXNPFEDSA-N 1 3 332.488 2.848 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)COC(C)C)CC1 ZINC000337339330 474912479 /nfs/dbraw/zinc/91/24/79/474912479.db2.gz OPIKILYIVDQOMT-SFHVURJKSA-N 1 3 333.520 2.727 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1ccc(Br)cc1F ZINC000623088437 480133769 /nfs/dbraw/zinc/13/37/69/480133769.db2.gz MALXBSNARSIHJZ-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(Br)cc1F ZINC000623088437 480133778 /nfs/dbraw/zinc/13/37/78/480133778.db2.gz MALXBSNARSIHJZ-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337348579 474921988 /nfs/dbraw/zinc/92/19/88/474921988.db2.gz ZDAFRBWFFOGUDA-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000337348579 474921998 /nfs/dbraw/zinc/92/19/98/474921998.db2.gz ZDAFRBWFFOGUDA-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1nccn1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000268333074 474928311 /nfs/dbraw/zinc/92/83/11/474928311.db2.gz JEQGKBJSNAOZBP-UHFFFAOYSA-N 1 3 341.503 2.512 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000337353915 474928715 /nfs/dbraw/zinc/92/87/15/474928715.db2.gz CHVREECIJPWHQQ-GOSISDBHSA-N 1 3 346.519 2.540 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000337353915 474928725 /nfs/dbraw/zinc/92/87/25/474928725.db2.gz CHVREECIJPWHQQ-GOSISDBHSA-N 1 3 346.519 2.540 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000337354137 474929887 /nfs/dbraw/zinc/92/98/87/474929887.db2.gz CQVXECCPFRXUHY-LMMKCTJWSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000337354137 474929888 /nfs/dbraw/zinc/92/98/88/474929888.db2.gz CQVXECCPFRXUHY-LMMKCTJWSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000337355348 474931296 /nfs/dbraw/zinc/93/12/96/474931296.db2.gz DRQBHIIVYAYRQJ-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000337355348 474931306 /nfs/dbraw/zinc/93/13/06/474931306.db2.gz DRQBHIIVYAYRQJ-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1ccc(F)cc1Br ZINC000623087946 480135030 /nfs/dbraw/zinc/13/50/30/480135030.db2.gz PXXFJRBMKLVMOD-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1ccc(F)cc1Br ZINC000623087946 480135037 /nfs/dbraw/zinc/13/50/37/480135037.db2.gz PXXFJRBMKLVMOD-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(CCCNCc1ccc(F)cc1Br)CC[NH+](C)C ZINC000623087946 480135045 /nfs/dbraw/zinc/13/50/45/480135045.db2.gz PXXFJRBMKLVMOD-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)C12CCC[NH+]1CCC2 ZINC000278972274 474948751 /nfs/dbraw/zinc/94/87/51/474948751.db2.gz XSVAYFKYCJOFEM-UHFFFAOYSA-N 1 3 347.528 2.705 20 0 EFADHO C[NH+](C)[C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000285263274 474950754 /nfs/dbraw/zinc/95/07/54/474950754.db2.gz JBPWULGUSRHHCE-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCc2nccn2C1 ZINC000278977183 474950857 /nfs/dbraw/zinc/95/08/57/474950857.db2.gz OEURFJQJLKAUKY-MISYRCLQSA-N 1 3 338.499 2.946 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323599484 474951059 /nfs/dbraw/zinc/95/10/59/474951059.db2.gz IGBFLKMBDLDLFI-IBGZPJMESA-N 1 3 331.504 2.732 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1=CCN(C)CC1 ZINC000345169674 474957675 /nfs/dbraw/zinc/95/76/75/474957675.db2.gz GRRLTFQJPWRWMJ-UHFFFAOYSA-N 1 3 344.411 2.580 20 0 EFADHO Cc1ccc(OC(F)F)c(CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268414904 474966304 /nfs/dbraw/zinc/96/63/04/474966304.db2.gz JBFQEXBTGZWXKU-UHFFFAOYSA-N 1 3 342.430 2.921 20 0 EFADHO COc1cc(CNCC2=CC[N@H+](C)CC2)ccc1OCC(F)(F)F ZINC000345185275 474970527 /nfs/dbraw/zinc/97/05/27/474970527.db2.gz LGYBNGVUVVBIMF-UHFFFAOYSA-N 1 3 344.377 2.988 20 0 EFADHO COc1cc(CNCC2=CC[N@@H+](C)CC2)ccc1OCC(F)(F)F ZINC000345185275 474970538 /nfs/dbraw/zinc/97/05/38/474970538.db2.gz LGYBNGVUVVBIMF-UHFFFAOYSA-N 1 3 344.377 2.988 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292340097 474971028 /nfs/dbraw/zinc/97/10/28/474971028.db2.gz XQNFFASUVPUVJN-OAHLLOKOSA-N 1 3 329.488 2.913 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292340091 474971667 /nfs/dbraw/zinc/97/16/67/474971667.db2.gz XQNFFASUVPUVJN-HNNXBMFYSA-N 1 3 329.488 2.913 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CCC(C)(C)[NH3+])c(C)c2)CC1 ZINC000324856650 474978378 /nfs/dbraw/zinc/97/83/78/474978378.db2.gz ZKLNJUWDJBSFCR-UHFFFAOYSA-N 1 3 332.492 2.593 20 0 EFADHO CN(CCCNCc1csc(-c2ccsc2)n1)CC[NH+](C)C ZINC000623087713 480133533 /nfs/dbraw/zinc/13/35/33/480133533.db2.gz FANKNFLIHUIMGY-UHFFFAOYSA-N 1 3 338.546 2.845 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341112965 474987991 /nfs/dbraw/zinc/98/79/91/474987991.db2.gz APAUURAUPHWQKZ-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341112965 474988002 /nfs/dbraw/zinc/98/80/02/474988002.db2.gz APAUURAUPHWQKZ-BRWVUGGUSA-N 1 3 338.540 2.669 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000325387681 474988033 /nfs/dbraw/zinc/98/80/33/474988033.db2.gz YSVFTNXTADSMKF-ZBFHGGJFSA-N 1 3 333.476 2.721 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OC(F)F)CC1 ZINC000268462782 474993765 /nfs/dbraw/zinc/99/37/65/474993765.db2.gz ZTQADCPYCIURKK-UHFFFAOYSA-N 1 3 328.403 2.613 20 0 EFADHO FC(F)(F)c1cccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261617595 474998817 /nfs/dbraw/zinc/99/88/17/474998817.db2.gz AHVLOBKBDRWDDG-AWEZNQCLSA-N 1 3 327.394 2.827 20 0 EFADHO O=C1CCCN1CCN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293482881 475002697 /nfs/dbraw/zinc/00/26/97/475002697.db2.gz YGOAOBIPIVGZMU-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000341134871 475012029 /nfs/dbraw/zinc/01/20/29/475012029.db2.gz VCOIYWQVJIGERY-BQFCYCMXSA-N 1 3 346.519 2.898 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000273688602 475013882 /nfs/dbraw/zinc/01/38/82/475013882.db2.gz HXEKASAONMWMOU-XLIONFOSSA-N 1 3 339.487 2.792 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000273688602 475013890 /nfs/dbraw/zinc/01/38/90/475013890.db2.gz HXEKASAONMWMOU-XLIONFOSSA-N 1 3 339.487 2.792 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000268505216 475018799 /nfs/dbraw/zinc/01/87/99/475018799.db2.gz AXJLZNQJEDSWKI-SJORKVTESA-N 1 3 327.476 2.783 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000268505216 475018801 /nfs/dbraw/zinc/01/88/01/475018801.db2.gz AXJLZNQJEDSWKI-SJORKVTESA-N 1 3 327.476 2.783 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261674743 475020058 /nfs/dbraw/zinc/02/00/58/475020058.db2.gz AWFPHXNDCFEDLL-QUCCMNQESA-N 1 3 343.515 2.747 20 0 EFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000261701946 475030625 /nfs/dbraw/zinc/03/06/25/475030625.db2.gz OWBGSUUOBDHMCW-FGTMMUONSA-N 1 3 330.472 2.901 20 0 EFADHO c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)OCCO2 ZINC000261701946 475030631 /nfs/dbraw/zinc/03/06/31/475030631.db2.gz OWBGSUUOBDHMCW-FGTMMUONSA-N 1 3 330.472 2.901 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341243642 475035394 /nfs/dbraw/zinc/03/53/94/475035394.db2.gz REGYFECMXHLFHO-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(CC2CC[NH2+]CC2)C1 ZINC000261714496 475036580 /nfs/dbraw/zinc/03/65/80/475036580.db2.gz JCTOTSBHOGWRFU-CJNGLKHVSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(CC2CC[NH2+]CC2)C1 ZINC000261714494 475037634 /nfs/dbraw/zinc/03/76/34/475037634.db2.gz JCTOTSBHOGWRFU-BBRMVZONSA-N 1 3 328.378 2.813 20 0 EFADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292460460 475038420 /nfs/dbraw/zinc/03/84/20/475038420.db2.gz LTKICMBUBNZOCZ-BEBFYNPSSA-N 1 3 329.488 2.523 20 0 EFADHO CN(C)C/C=C/C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292460460 475038428 /nfs/dbraw/zinc/03/84/28/475038428.db2.gz LTKICMBUBNZOCZ-BEBFYNPSSA-N 1 3 329.488 2.523 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261751722 475049928 /nfs/dbraw/zinc/04/99/28/475049928.db2.gz HGDJPRGXXVBXFH-ZHALLVOQSA-N 1 3 329.488 2.545 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000345274656 475050712 /nfs/dbraw/zinc/05/07/12/475050712.db2.gz FDNUYZUCADURNK-HZPDHXFCSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CCCN(C)[C@@H]2C)c(OCC[NH+](C)C)c1 ZINC000345274654 475051507 /nfs/dbraw/zinc/05/15/07/475051507.db2.gz FDNUYZUCADURNK-CVEARBPZSA-N 1 3 348.491 2.540 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CC[C@H](C)C1 ZINC000337479645 475054813 /nfs/dbraw/zinc/05/48/13/475054813.db2.gz UTVTVLMCABPSGM-OALUTQOASA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CC[C@H](C)C1 ZINC000337479645 475054821 /nfs/dbraw/zinc/05/48/21/475054821.db2.gz UTVTVLMCABPSGM-OALUTQOASA-N 1 3 325.541 2.540 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000261777395 475057729 /nfs/dbraw/zinc/05/77/29/475057729.db2.gz OYDFXHFBWPVKRC-IPMKNSEASA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCCC1 ZINC000341464556 475062939 /nfs/dbraw/zinc/06/29/39/475062939.db2.gz RKPGPRCWMNIAFG-GOSISDBHSA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000261795200 475065697 /nfs/dbraw/zinc/06/56/97/475065697.db2.gz ZKFUWIXKPDFGID-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268914333 475068488 /nfs/dbraw/zinc/06/84/88/475068488.db2.gz ZOOIAAUTILWMEG-INIZCTEOSA-N 1 3 330.476 2.873 20 0 EFADHO O=C(NC[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000261803691 475069201 /nfs/dbraw/zinc/06/92/01/475069201.db2.gz HEPCHRBPHOSEPD-HZPDHXFCSA-N 1 3 348.466 2.659 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1conc1Cc1ccccc1 ZINC000339246887 475077086 /nfs/dbraw/zinc/07/70/86/475077086.db2.gz FVTRGEVMRVDJQP-LJQANCHMSA-N 1 3 343.471 2.592 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1conc1Cc1ccccc1 ZINC000339246887 475077094 /nfs/dbraw/zinc/07/70/94/475077094.db2.gz FVTRGEVMRVDJQP-LJQANCHMSA-N 1 3 343.471 2.592 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261830801 475078444 /nfs/dbraw/zinc/07/84/44/475078444.db2.gz NDEIHXLRHKFQTN-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261837024 475080230 /nfs/dbraw/zinc/08/02/30/475080230.db2.gz NOFCNBPAVADNBT-IRXDYDNUSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261837021 475080657 /nfs/dbraw/zinc/08/06/57/475080657.db2.gz NOFCNBPAVADNBT-IAGOWNOFSA-N 1 3 329.488 2.718 20 0 EFADHO COc1ccccc1-n1nccc1CN(C)CC1CC[NH+](C)CC1 ZINC000281125673 475080796 /nfs/dbraw/zinc/08/07/96/475080796.db2.gz MWSFQEOIXDZZHS-UHFFFAOYSA-N 1 3 328.460 2.655 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N2CCCC2)cc1 ZINC000339258086 475088198 /nfs/dbraw/zinc/08/81/98/475088198.db2.gz ZJFAZTLKSIVETJ-LJQANCHMSA-N 1 3 341.499 2.877 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000345318043 475090023 /nfs/dbraw/zinc/09/00/23/475090023.db2.gz LRYMVVFWFMCQAJ-APWZRJJASA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261873229 475093903 /nfs/dbraw/zinc/09/39/03/475093903.db2.gz YDIBHCGJARPJCG-OQIJWPOYSA-N 1 3 329.488 2.531 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000337531296 475099842 /nfs/dbraw/zinc/09/98/42/475099842.db2.gz VKBICNGUPMADEM-LXPRWKDFSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)s1 ZINC000268981686 475109087 /nfs/dbraw/zinc/10/90/87/475109087.db2.gz KRMYKNDYSJDLPI-SNVBAGLBSA-N 1 3 333.295 2.618 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1)C1CC1 ZINC000261921572 475114320 /nfs/dbraw/zinc/11/43/20/475114320.db2.gz YWMVEBYHPOEUQS-UHFFFAOYSA-N 1 3 341.499 2.887 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268991352 475114572 /nfs/dbraw/zinc/11/45/72/475114572.db2.gz MMYYWZMULHIQMW-ZDUSSCGKSA-N 1 3 346.393 2.735 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H](c1ccccc1)N(C)C ZINC000287365052 475116405 /nfs/dbraw/zinc/11/64/05/475116405.db2.gz QPGFHCOXRFMYIO-JCHJZTRSSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H](c1ccccc1)N(C)C ZINC000287365052 475116413 /nfs/dbraw/zinc/11/64/13/475116413.db2.gz QPGFHCOXRFMYIO-JCHJZTRSSA-N 1 3 344.503 2.604 20 0 EFADHO CCOc1ccc(Cl)cc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000269000136 475120625 /nfs/dbraw/zinc/12/06/25/475120625.db2.gz OWXRWYPURHCYPK-ZDUSSCGKSA-N 1 3 326.868 2.846 20 0 EFADHO C[NH2+]CCC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000261981752 475135231 /nfs/dbraw/zinc/13/52/31/475135231.db2.gz IGSDZFMCKLFBSX-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H]1c1cccs1 ZINC000261991935 475139811 /nfs/dbraw/zinc/13/98/11/475139811.db2.gz YJKADWPCPJBTNZ-VYDXJSESSA-N 1 3 347.528 2.637 20 0 EFADHO Cc1cc2cc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])oc2cc1C ZINC000262007928 475144725 /nfs/dbraw/zinc/14/47/25/475144725.db2.gz MABPGFYRERYHPK-KRWDZBQOSA-N 1 3 343.471 2.869 20 0 EFADHO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269048641 475145922 /nfs/dbraw/zinc/14/59/22/475145922.db2.gz VGKMHBLMLTXDGP-NEPJUHHUSA-N 1 3 334.432 2.674 20 0 EFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000341563651 475147051 /nfs/dbraw/zinc/14/70/51/475147051.db2.gz WUEWMRHFJGKAHS-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000287441259 475148580 /nfs/dbraw/zinc/14/85/80/475148580.db2.gz FZUZDQPKTUTFER-QFBILLFUSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H]([NH2+]CCNc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000269061603 475153756 /nfs/dbraw/zinc/15/37/56/475153756.db2.gz UHDGVBHXAVPQKY-INIZCTEOSA-N 1 3 328.460 2.785 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@H+](C)CCCN2CCCC2)cc1 ZINC000281308404 475163077 /nfs/dbraw/zinc/16/30/77/475163077.db2.gz KIXNKOHIQDWFPU-UHFFFAOYSA-N 1 3 333.476 2.832 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@@H+](C)CCCN2CCCC2)cc1 ZINC000281308404 475163088 /nfs/dbraw/zinc/16/30/88/475163088.db2.gz KIXNKOHIQDWFPU-UHFFFAOYSA-N 1 3 333.476 2.832 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000262093315 475170070 /nfs/dbraw/zinc/17/00/70/475170070.db2.gz SAJHTRHABQLIJM-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262115724 475176158 /nfs/dbraw/zinc/17/61/58/475176158.db2.gz HTXROBHMHCXNRS-TXPKVOOTSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262115724 475176165 /nfs/dbraw/zinc/17/61/65/475176165.db2.gz HTXROBHMHCXNRS-TXPKVOOTSA-N 1 3 331.504 2.908 20 0 EFADHO c1ccc(Oc2cccc(CN3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262238391 475205538 /nfs/dbraw/zinc/20/55/38/475205538.db2.gz OVBFEXYPBGMCML-IBGZPJMESA-N 1 3 337.467 2.958 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341658706 475209662 /nfs/dbraw/zinc/20/96/62/475209662.db2.gz WMXYIXUNMCNVJZ-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341658706 475209669 /nfs/dbraw/zinc/20/96/69/475209669.db2.gz WMXYIXUNMCNVJZ-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)[C@H]1CCC[NH2+]1 ZINC000262310583 475218137 /nfs/dbraw/zinc/21/81/37/475218137.db2.gz YWQMBBGGVBBVSJ-MAUKXSAKSA-N 1 3 341.455 2.513 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCN1Cc1ccccc1 ZINC000262346838 475223059 /nfs/dbraw/zinc/22/30/59/475223059.db2.gz GUJCECRGXOZUHV-KVPLUYHFSA-N 1 3 343.515 2.886 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354533423 475226852 /nfs/dbraw/zinc/22/68/52/475226852.db2.gz CWNQZYNZASKYHO-RDJZCZTQSA-N 1 3 346.475 2.529 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354533423 475226859 /nfs/dbraw/zinc/22/68/59/475226859.db2.gz CWNQZYNZASKYHO-RDJZCZTQSA-N 1 3 346.475 2.529 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000339462270 475230687 /nfs/dbraw/zinc/23/06/87/475230687.db2.gz PDLZUSGAAJOKGZ-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000296230365 475231211 /nfs/dbraw/zinc/23/12/11/475231211.db2.gz CFDZKVKXVMZRSJ-LPHOPBHVSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000296230363 475231616 /nfs/dbraw/zinc/23/16/16/475231616.db2.gz CFDZKVKXVMZRSJ-APWZRJJASA-N 1 3 329.488 2.716 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCCC2(C)C)CC1 ZINC000339465557 475233862 /nfs/dbraw/zinc/23/38/62/475233862.db2.gz JLECWGBGDMFQMS-NRFANRHFSA-N 1 3 345.531 2.859 20 0 EFADHO CCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000361174222 475244283 /nfs/dbraw/zinc/24/42/83/475244283.db2.gz VBHNCFRSKWIREW-WMZOPIPTSA-N 1 3 347.503 2.713 20 0 EFADHO C[C@H](C[NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000262461302 475245263 /nfs/dbraw/zinc/24/52/63/475245263.db2.gz XEJUASZOOOYWGB-QGZVFWFLSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000296276047 475248768 /nfs/dbraw/zinc/24/87/68/475248768.db2.gz DXLQEFWPEYQQQY-MRXNPFEDSA-N 1 3 329.488 2.675 20 0 EFADHO CCc1ccc([C@H](CC)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361183409 475251833 /nfs/dbraw/zinc/25/18/33/475251833.db2.gz UWYVDWDGLSOGNH-MOPGFXCFSA-N 1 3 331.504 2.877 20 0 EFADHO CCc1ccc([C@H](CC)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361183409 475251845 /nfs/dbraw/zinc/25/18/45/475251845.db2.gz UWYVDWDGLSOGNH-MOPGFXCFSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cnc2ccsc2c1 ZINC000361184279 475252298 /nfs/dbraw/zinc/25/22/98/475252298.db2.gz NKASEXYQRFCLJK-UONOGXRCSA-N 1 3 346.500 2.534 20 0 EFADHO CCc1ccc([C@@H](CC)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361183410 475252590 /nfs/dbraw/zinc/25/25/90/475252590.db2.gz UWYVDWDGLSOGNH-RTBURBONSA-N 1 3 331.504 2.877 20 0 EFADHO CCc1ccc([C@@H](CC)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361183410 475252598 /nfs/dbraw/zinc/25/25/98/475252598.db2.gz UWYVDWDGLSOGNH-RTBURBONSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000296294621 475256754 /nfs/dbraw/zinc/25/67/54/475256754.db2.gz FTGJXJWTRYKUGM-HOTGVXAUSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000296294621 475256758 /nfs/dbraw/zinc/25/67/58/475256758.db2.gz FTGJXJWTRYKUGM-HOTGVXAUSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296305149 475261299 /nfs/dbraw/zinc/26/12/99/475261299.db2.gz GGVJVHNADPFZPB-CVEARBPZSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296305149 475261312 /nfs/dbraw/zinc/26/13/12/475261312.db2.gz GGVJVHNADPFZPB-CVEARBPZSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H](C)O1 ZINC000296313768 475265103 /nfs/dbraw/zinc/26/51/03/475265103.db2.gz GRQNSABFDGVSRT-GGPKGHCWSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)c1OC ZINC000631565089 480157508 /nfs/dbraw/zinc/15/75/08/480157508.db2.gz CIZVFPWZXPFZTG-SFHVURJKSA-N 1 3 349.519 2.772 20 0 EFADHO COCC1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000296394860 475297008 /nfs/dbraw/zinc/29/70/08/475297008.db2.gz LCULKXCEIYTBAC-UHFFFAOYSA-N 1 3 345.531 2.729 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358011323 475332365 /nfs/dbraw/zinc/33/23/65/475332365.db2.gz ZHHUYZMFDQEOTD-PZJWPPBQSA-N 1 3 344.547 2.519 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337762801 475303701 /nfs/dbraw/zinc/30/37/01/475303701.db2.gz AGWDOIRJGKGHMU-OALUTQOASA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337762801 475303707 /nfs/dbraw/zinc/30/37/07/475303707.db2.gz AGWDOIRJGKGHMU-OALUTQOASA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000361275569 475320237 /nfs/dbraw/zinc/32/02/37/475320237.db2.gz XQGWSFONUKCJLV-BJLQDIEVSA-N 1 3 340.552 2.995 20 0 EFADHO CC(C)(CNC(=O)c1ccc2c(c1)C[NH2+]C2)N1CCc2ccccc2C1 ZINC000347515675 475322041 /nfs/dbraw/zinc/32/20/41/475322041.db2.gz GHLJIHCUYGAEMI-UHFFFAOYSA-N 1 3 349.478 2.857 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000296451290 475322205 /nfs/dbraw/zinc/32/22/05/475322205.db2.gz OGOYPJQGCDXOLQ-DLBZAZTESA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000296451290 475322215 /nfs/dbraw/zinc/32/22/15/475322215.db2.gz OGOYPJQGCDXOLQ-DLBZAZTESA-N 1 3 348.487 2.586 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000358002216 475324795 /nfs/dbraw/zinc/32/47/95/475324795.db2.gz JSGKFYRZTAYPNH-LMMKCTJWSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000358002216 475324802 /nfs/dbraw/zinc/32/48/02/475324802.db2.gz JSGKFYRZTAYPNH-LMMKCTJWSA-N 1 3 346.519 2.677 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000354663194 475325018 /nfs/dbraw/zinc/32/50/18/475325018.db2.gz NUSFXNXQSZJECF-UFYCRDLUSA-N 1 3 332.488 2.548 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354700824 475345674 /nfs/dbraw/zinc/34/56/74/475345674.db2.gz SBZQFBZXRGBNMS-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CCN(C)CC[N@H+](C)C1CCN(C)CC1)OCc1ccccc1 ZINC000354715674 475355208 /nfs/dbraw/zinc/35/52/08/475355208.db2.gz RNBAUWHTIWJXHC-IBGZPJMESA-N 1 3 347.547 2.940 20 0 EFADHO C[C@@H](CCN(C)CC[N@@H+](C)C1CCN(C)CC1)OCc1ccccc1 ZINC000354715674 475355212 /nfs/dbraw/zinc/35/52/12/475355212.db2.gz RNBAUWHTIWJXHC-IBGZPJMESA-N 1 3 347.547 2.940 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000361347609 475373880 /nfs/dbraw/zinc/37/38/80/475373880.db2.gz WSGUFERSNCTWLH-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000361347802 475374617 /nfs/dbraw/zinc/37/46/17/475374617.db2.gz ZDFIPNHDCRXMEJ-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000358084106 475386104 /nfs/dbraw/zinc/38/61/04/475386104.db2.gz LYWIBIDSOYLUOF-YCPHGPKFSA-N 1 3 335.879 2.765 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@H]2CC[NH3+])cc1C ZINC000352534983 475390517 /nfs/dbraw/zinc/39/05/17/475390517.db2.gz KVJPYDFUWRFPGU-KRWDZBQOSA-N 1 3 334.460 2.559 20 0 EFADHO Cc1nn(-c2ccncc2)cc1CN(CCC[NH3+])CC1CCCC1 ZINC000352535493 475390638 /nfs/dbraw/zinc/39/06/38/475390638.db2.gz RGXJWGLJWFBJGN-UHFFFAOYSA-N 1 3 327.476 2.917 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358092014 475393677 /nfs/dbraw/zinc/39/36/77/475393677.db2.gz JFQQEUPDRDELPA-KRWDZBQOSA-N 1 3 338.540 2.646 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000354783084 475406368 /nfs/dbraw/zinc/40/63/68/475406368.db2.gz GMKFIOIXKBSKGM-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000354787329 475411308 /nfs/dbraw/zinc/41/13/08/475411308.db2.gz AXHUGYXBVUDUPI-QRQLOZEOSA-N 1 3 331.504 2.932 20 0 EFADHO C[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)N1CCC(C)CC1 ZINC000352559385 475411489 /nfs/dbraw/zinc/41/14/89/475411489.db2.gz IBAFFXCLDASWCJ-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC[C@@H]2CC)[C@H](C)C1 ZINC000361396065 475413727 /nfs/dbraw/zinc/41/37/27/475413727.db2.gz CZRRXEZJVQQIRD-AABGKKOBSA-N 1 3 339.568 2.978 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000358126630 475422963 /nfs/dbraw/zinc/42/29/63/475422963.db2.gz BATXWORSCUNVGE-ZIFCJYIRSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000358126630 475422970 /nfs/dbraw/zinc/42/29/70/475422970.db2.gz BATXWORSCUNVGE-ZIFCJYIRSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000361445668 475456175 /nfs/dbraw/zinc/45/61/75/475456175.db2.gz JQNRCCDGDWEERE-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000337984641 475483718 /nfs/dbraw/zinc/48/37/18/475483718.db2.gz DGKVJOYVCFOKFO-HNNXBMFYSA-N 1 3 339.474 2.902 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000354878648 475484883 /nfs/dbraw/zinc/48/48/83/475484883.db2.gz PFXPEOCWCVNJAO-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000354878648 475484886 /nfs/dbraw/zinc/48/48/86/475484886.db2.gz PFXPEOCWCVNJAO-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000337988124 475486128 /nfs/dbraw/zinc/48/61/28/475486128.db2.gz MCBCDDJXFUDCGI-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO C[C@H]1CCCN1C(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354888167 475492211 /nfs/dbraw/zinc/49/22/11/475492211.db2.gz DCKGIENSVULWON-KRWDZBQOSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354888167 475492222 /nfs/dbraw/zinc/49/22/22/475492222.db2.gz DCKGIENSVULWON-KRWDZBQOSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352655124 475496720 /nfs/dbraw/zinc/49/67/20/475496720.db2.gz GGYFIHKBSJLIGI-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352655124 475496728 /nfs/dbraw/zinc/49/67/28/475496728.db2.gz GGYFIHKBSJLIGI-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000338011875 475504842 /nfs/dbraw/zinc/50/48/42/475504842.db2.gz IYYDQQIJDFHDOI-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000352665167 475507357 /nfs/dbraw/zinc/50/73/57/475507357.db2.gz PEBLBKZBIOWFTL-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000352665167 475507365 /nfs/dbraw/zinc/50/73/65/475507365.db2.gz PEBLBKZBIOWFTL-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000338016461 475509375 /nfs/dbraw/zinc/50/93/75/475509375.db2.gz MAYDTQDTSLRVJS-MDNKFWRPSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000338016461 475509381 /nfs/dbraw/zinc/50/93/81/475509381.db2.gz MAYDTQDTSLRVJS-MDNKFWRPSA-N 1 3 341.499 2.640 20 0 EFADHO NC(=O)C1(O)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000332101363 475513050 /nfs/dbraw/zinc/51/30/50/475513050.db2.gz FMVPAZWUAMEPEF-UHFFFAOYSA-N 1 3 331.460 2.535 20 0 EFADHO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345858248 475515437 /nfs/dbraw/zinc/51/54/37/475515437.db2.gz XZTGCOQIKLTOLM-INIZCTEOSA-N 1 3 338.455 2.709 20 0 EFADHO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345858248 475515450 /nfs/dbraw/zinc/51/54/50/475515450.db2.gz XZTGCOQIKLTOLM-INIZCTEOSA-N 1 3 338.455 2.709 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352679206 475522951 /nfs/dbraw/zinc/52/29/51/475522951.db2.gz RZLBZWJZPXLLHL-GOSISDBHSA-N 1 3 334.508 2.629 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352679206 475522955 /nfs/dbraw/zinc/52/29/55/475522955.db2.gz RZLBZWJZPXLLHL-GOSISDBHSA-N 1 3 334.508 2.629 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@@H]1C ZINC000348255247 475530851 /nfs/dbraw/zinc/53/08/51/475530851.db2.gz IFEGGBHJHURMMO-IRXDYDNUSA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@@H]1C ZINC000348255247 475530859 /nfs/dbraw/zinc/53/08/59/475530859.db2.gz IFEGGBHJHURMMO-IRXDYDNUSA-N 1 3 345.487 2.607 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000346058091 475555248 /nfs/dbraw/zinc/55/52/48/475555248.db2.gz AZDDKAUCNZPENP-GOEBONIOSA-N 1 3 329.444 2.671 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000346058090 475556145 /nfs/dbraw/zinc/55/61/45/475556145.db2.gz AZDDKAUCNZPENP-GDBMZVCRSA-N 1 3 329.444 2.671 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000342100397 475556838 /nfs/dbraw/zinc/55/68/38/475556838.db2.gz KDOUBCAIOMGVLJ-XPYUAMARSA-N 1 3 345.462 2.689 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000338063524 475557356 /nfs/dbraw/zinc/55/73/56/475557356.db2.gz BLVNPNKTMBDIDN-NTDBWNAOSA-N 1 3 331.504 2.975 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000338063524 475557364 /nfs/dbraw/zinc/55/73/64/475557364.db2.gz BLVNPNKTMBDIDN-NTDBWNAOSA-N 1 3 331.504 2.975 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000354976100 475571575 /nfs/dbraw/zinc/57/15/75/475571575.db2.gz FGYLQESYOZURKU-XIYVOTBMSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000354976100 475571585 /nfs/dbraw/zinc/57/15/85/475571585.db2.gz FGYLQESYOZURKU-XIYVOTBMSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000354976100 475571591 /nfs/dbraw/zinc/57/15/91/475571591.db2.gz FGYLQESYOZURKU-XIYVOTBMSA-N 1 3 344.499 2.681 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000361587909 475573249 /nfs/dbraw/zinc/57/32/49/475573249.db2.gz QICCFNCSIJZUJV-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000361587909 475573254 /nfs/dbraw/zinc/57/32/54/475573254.db2.gz QICCFNCSIJZUJV-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000297030567 475583019 /nfs/dbraw/zinc/58/30/19/475583019.db2.gz MAJWKGHUTOVTTO-IPQPSQTFSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000297030567 475583026 /nfs/dbraw/zinc/58/30/26/475583026.db2.gz MAJWKGHUTOVTTO-IPQPSQTFSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000352745806 475585968 /nfs/dbraw/zinc/58/59/68/475585968.db2.gz MFBFJAWLKPYCAR-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO Cn1nnc2cc(C[NH+]3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000348330666 475597530 /nfs/dbraw/zinc/59/75/30/475597530.db2.gz OAXIHVFCVHRFCE-OALUTQOASA-N 1 3 347.466 2.532 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352777565 475613561 /nfs/dbraw/zinc/61/35/61/475613561.db2.gz HINMJZAXEOMWOE-JZXOWHBKSA-N 1 3 334.508 2.707 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352777565 475613566 /nfs/dbraw/zinc/61/35/66/475613566.db2.gz HINMJZAXEOMWOE-JZXOWHBKSA-N 1 3 334.508 2.707 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2cccc(C)n2)[C@H](C)C1 ZINC000358379621 475632468 /nfs/dbraw/zinc/63/24/68/475632468.db2.gz KOBQKLJOVDTNTA-SJLPKXTDSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2cccc(C)n2)[C@H](C)C1 ZINC000358379621 475632477 /nfs/dbraw/zinc/63/24/77/475632477.db2.gz KOBQKLJOVDTNTA-SJLPKXTDSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2cccc(C)n2)[C@H](C)C1 ZINC000358379609 475633133 /nfs/dbraw/zinc/63/31/33/475633133.db2.gz KOBQKLJOVDTNTA-AEFFLSMTSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCNc2cccc(C)n2)[C@H](C)C1 ZINC000358379609 475633137 /nfs/dbraw/zinc/63/31/37/475633137.db2.gz KOBQKLJOVDTNTA-AEFFLSMTSA-N 1 3 334.508 2.529 20 0 EFADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000348384828 475633347 /nfs/dbraw/zinc/63/33/47/475633347.db2.gz VRDLMFKCACTDMX-IEBWSBKVSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342743944 475634736 /nfs/dbraw/zinc/63/47/36/475634736.db2.gz QMVXJYGYURDANY-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342743944 475634744 /nfs/dbraw/zinc/63/47/44/475634744.db2.gz QMVXJYGYURDANY-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](CCNC(=O)NCCN1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000348396156 475638848 /nfs/dbraw/zinc/63/88/48/475638848.db2.gz FEQGBAGQBVKVCN-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CCNC(=O)NCCN1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000348396156 475638853 /nfs/dbraw/zinc/63/88/53/475638853.db2.gz FEQGBAGQBVKVCN-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405247 475645372 /nfs/dbraw/zinc/64/53/72/475645372.db2.gz GOFUWTSQRKUAAJ-IRXDYDNUSA-N 1 3 348.487 2.999 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405247 475645378 /nfs/dbraw/zinc/64/53/78/475645378.db2.gz GOFUWTSQRKUAAJ-IRXDYDNUSA-N 1 3 348.487 2.999 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC(C)CC1 ZINC000342981506 475670323 /nfs/dbraw/zinc/67/03/23/475670323.db2.gz SDGJYXOFUAKZHH-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC(C)CC1 ZINC000342981506 475670331 /nfs/dbraw/zinc/67/03/31/475670331.db2.gz SDGJYXOFUAKZHH-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346575674 475671335 /nfs/dbraw/zinc/67/13/35/475671335.db2.gz USZITZKHLXCOTI-LJQANCHMSA-N 1 3 344.503 2.631 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000361717509 475693228 /nfs/dbraw/zinc/69/32/28/475693228.db2.gz FIRUJYYNQKHKSW-GOEBONIOSA-N 1 3 335.517 2.909 20 0 EFADHO CCc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000346624756 475711109 /nfs/dbraw/zinc/71/11/09/475711109.db2.gz RHKFQBCYPYUIKY-LJQANCHMSA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000346624756 475711116 /nfs/dbraw/zinc/71/11/16/475711116.db2.gz RHKFQBCYPYUIKY-LJQANCHMSA-N 1 3 331.504 2.737 20 0 EFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361747830 475718222 /nfs/dbraw/zinc/71/82/22/475718222.db2.gz DUYGNZNOCXAKFF-HZPDHXFCSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361747830 475718229 /nfs/dbraw/zinc/71/82/29/475718229.db2.gz DUYGNZNOCXAKFF-HZPDHXFCSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000361747830 475718239 /nfs/dbraw/zinc/71/82/39/475718239.db2.gz DUYGNZNOCXAKFF-HZPDHXFCSA-N 1 3 330.476 2.653 20 0 EFADHO CCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000358507872 475733856 /nfs/dbraw/zinc/73/38/56/475733856.db2.gz LMBBLMNSZOVEAE-INIZCTEOSA-N 1 3 347.478 2.811 20 0 EFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Cl)c1 ZINC000358506433 475734714 /nfs/dbraw/zinc/73/47/14/475734714.db2.gz KCPAHDMFBGEGPG-INIZCTEOSA-N 1 3 333.863 2.521 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343064149 475734792 /nfs/dbraw/zinc/73/47/92/475734792.db2.gz XPNIDQZITZCEOX-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343064149 475734799 /nfs/dbraw/zinc/73/47/99/475734799.db2.gz XPNIDQZITZCEOX-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358509468 475735450 /nfs/dbraw/zinc/73/54/50/475735450.db2.gz QBMXLACWTOWUOW-SJORKVTESA-N 1 3 329.488 2.636 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000361772604 475740180 /nfs/dbraw/zinc/74/01/80/475740180.db2.gz YUFRVEPDZPGDLH-XSLAGTTESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C[C@@H]1C ZINC000361772604 475740189 /nfs/dbraw/zinc/74/01/89/475740189.db2.gz YUFRVEPDZPGDLH-XSLAGTTESA-N 1 3 338.540 2.621 20 0 EFADHO Cc1ccc([C@@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358517100 475740776 /nfs/dbraw/zinc/74/07/76/475740776.db2.gz OSYAXLKHEOOZFV-QGZVFWFLSA-N 1 3 329.488 2.556 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000338288846 475751119 /nfs/dbraw/zinc/75/11/19/475751119.db2.gz IMQATZFFHAPAAB-KURKYZTESA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000338288846 475751123 /nfs/dbraw/zinc/75/11/23/475751123.db2.gz IMQATZFFHAPAAB-KURKYZTESA-N 1 3 338.540 2.669 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000348552943 475754871 /nfs/dbraw/zinc/75/48/71/475754871.db2.gz WEKDIIYTFJYQAZ-WOJBJXKFSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000348552943 475754877 /nfs/dbraw/zinc/75/48/77/475754877.db2.gz WEKDIIYTFJYQAZ-WOJBJXKFSA-N 1 3 331.504 2.564 20 0 EFADHO CSC1(CNCc2cn3cc(Cl)ccc3n2)CC[NH+](C)CC1 ZINC000353191268 475757616 /nfs/dbraw/zinc/75/76/16/475757616.db2.gz KRDVFSMHNVFZKS-UHFFFAOYSA-N 1 3 338.908 2.905 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000348571339 475764958 /nfs/dbraw/zinc/76/49/58/475764958.db2.gz RWXMVGKKUMMDLL-GOSISDBHSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000348571339 475764965 /nfs/dbraw/zinc/76/49/65/475764965.db2.gz RWXMVGKKUMMDLL-GOSISDBHSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201651 475765996 /nfs/dbraw/zinc/76/59/96/475765996.db2.gz HDCHCMOWRFFBNY-HFSMHLIXSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201651 475766002 /nfs/dbraw/zinc/76/60/02/475766002.db2.gz HDCHCMOWRFFBNY-HFSMHLIXSA-N 1 3 343.515 2.875 20 0 EFADHO c1ccc(CN2CCC(N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)nc1 ZINC000361801384 475766485 /nfs/dbraw/zinc/76/64/85/475766485.db2.gz WLTOOBGUHHDMFI-NRFANRHFSA-N 1 3 342.531 2.900 20 0 EFADHO c1ccc(CN2CCC(N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2)nc1 ZINC000361801384 475766492 /nfs/dbraw/zinc/76/64/92/475766492.db2.gz WLTOOBGUHHDMFI-NRFANRHFSA-N 1 3 342.531 2.900 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000340120034 475773914 /nfs/dbraw/zinc/77/39/14/475773914.db2.gz DUJVKLNWWLRXTO-RLLQIKCJSA-N 1 3 343.515 2.703 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccsc1 ZINC000348674449 475811447 /nfs/dbraw/zinc/81/14/47/475811447.db2.gz OCBLQIHQTKDTBL-DOTOQJQBSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccsc1 ZINC000348674449 475811451 /nfs/dbraw/zinc/81/14/51/475811451.db2.gz OCBLQIHQTKDTBL-DOTOQJQBSA-N 1 3 337.533 2.726 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(C3CCCC3)CC1)CO2 ZINC000297570885 475811444 /nfs/dbraw/zinc/81/14/44/475811444.db2.gz GQHCGXLTKRNSSI-KRWDZBQOSA-N 1 3 330.472 2.995 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000297628398 475836112 /nfs/dbraw/zinc/83/61/12/475836112.db2.gz LWSVQPRXDLLXLB-LIRRHRJNSA-N 1 3 329.419 2.901 20 0 EFADHO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361884805 475839122 /nfs/dbraw/zinc/83/91/22/475839122.db2.gz FZUSMELYGACJLV-LBPRGKRZSA-N 1 3 325.522 2.856 20 0 EFADHO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000361884803 475839765 /nfs/dbraw/zinc/83/97/65/475839765.db2.gz FZUSMELYGACJLV-GFCCVEGCSA-N 1 3 325.522 2.856 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc4c3OCCCO4)CC2)C1 ZINC000333106726 475840847 /nfs/dbraw/zinc/84/08/47/475840847.db2.gz FTUXPNQBGJWUHA-MJGOQNOKSA-N 1 3 346.471 2.566 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353294640 475844083 /nfs/dbraw/zinc/84/40/83/475844083.db2.gz KMRJZHZEHRYJNP-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353294640 475844091 /nfs/dbraw/zinc/84/40/91/475844091.db2.gz KMRJZHZEHRYJNP-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346773770 475847707 /nfs/dbraw/zinc/84/77/07/475847707.db2.gz CROVZJJZRPRKMU-UHOSZYNNSA-N 1 3 332.488 2.717 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346773770 475847716 /nfs/dbraw/zinc/84/77/16/475847716.db2.gz CROVZJJZRPRKMU-UHOSZYNNSA-N 1 3 332.488 2.717 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000355359770 475864838 /nfs/dbraw/zinc/86/48/38/475864838.db2.gz FOIPQFLEGRMRTC-WMZOPIPTSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000355359769 475865231 /nfs/dbraw/zinc/86/52/31/475865231.db2.gz FOIPQFLEGRMRTC-SJLPKXTDSA-N 1 3 346.519 2.770 20 0 EFADHO CC1CCC2(CC1)OC[C@H](C[NH2+]C1CCN(c3ccncc3)CC1)O2 ZINC000297752301 475876362 /nfs/dbraw/zinc/87/63/62/475876362.db2.gz UJUKRWRVAPRYGY-AJPWXKBRSA-N 1 3 345.487 2.962 20 0 EFADHO CN(C)C1(C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340243447 475884751 /nfs/dbraw/zinc/88/47/51/475884751.db2.gz PQOABIBWVKDPJB-OALUTQOASA-N 1 3 331.504 2.522 20 0 EFADHO CCCNC(=O)[C@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358739032 475896340 /nfs/dbraw/zinc/89/63/40/475896340.db2.gz DTXJMTZANYDFEB-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCNC(=O)[C@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358739032 475896344 /nfs/dbraw/zinc/89/63/44/475896344.db2.gz DTXJMTZANYDFEB-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC[N@H+](CCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1)CC(C)C ZINC000358739920 475897293 /nfs/dbraw/zinc/89/72/93/475897293.db2.gz GMPLQDCGHVFMRX-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1)CC(C)C ZINC000358739920 475897299 /nfs/dbraw/zinc/89/72/99/475897299.db2.gz GMPLQDCGHVFMRX-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000333295329 475897610 /nfs/dbraw/zinc/89/76/10/475897610.db2.gz PFVJBWNYGNXVNF-WCXIOVBPSA-N 1 3 331.508 2.617 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCc2nc(C)oc2C)CC1 ZINC000346837191 475900630 /nfs/dbraw/zinc/90/06/30/475900630.db2.gz XBRBVSSPOIOSTD-UHFFFAOYSA-N 1 3 342.487 2.766 20 0 EFADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000340274073 475906615 /nfs/dbraw/zinc/90/66/15/475906615.db2.gz AKELQNDJMFBLJG-YRPNKDGESA-N 1 3 337.552 2.823 20 0 EFADHO CC(C)N1CCCC[C@H]1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000340274073 475906619 /nfs/dbraw/zinc/90/66/19/475906619.db2.gz AKELQNDJMFBLJG-YRPNKDGESA-N 1 3 337.552 2.823 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000355408225 475909763 /nfs/dbraw/zinc/90/97/63/475909763.db2.gz JICUEKWJMCSRAG-IAGOWNOFSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000355408225 475909769 /nfs/dbraw/zinc/90/97/69/475909769.db2.gz JICUEKWJMCSRAG-IAGOWNOFSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000355408225 475909774 /nfs/dbraw/zinc/90/97/74/475909774.db2.gz JICUEKWJMCSRAG-IAGOWNOFSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338460014 475925831 /nfs/dbraw/zinc/92/58/31/475925831.db2.gz CCYOQPOOFJRVOX-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338460014 475925838 /nfs/dbraw/zinc/92/58/38/475925838.db2.gz CCYOQPOOFJRVOX-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000353403441 475940703 /nfs/dbraw/zinc/94/07/03/475940703.db2.gz KSNXVEVGJXFENW-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353403441 475940710 /nfs/dbraw/zinc/94/07/10/475940710.db2.gz KSNXVEVGJXFENW-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353403441 475940719 /nfs/dbraw/zinc/94/07/19/475940719.db2.gz KSNXVEVGJXFENW-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CCCN(C)C2)CCO1 ZINC000297995116 475947502 /nfs/dbraw/zinc/94/75/02/475947502.db2.gz ZBBYGQBILAUZDN-ROUUACIJSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@@H+](C)C[C@H]2CCCN(C)C2)CCO1 ZINC000297995116 475947507 /nfs/dbraw/zinc/94/75/07/475947507.db2.gz ZBBYGQBILAUZDN-ROUUACIJSA-N 1 3 331.504 2.685 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000355449824 475948627 /nfs/dbraw/zinc/94/86/27/475948627.db2.gz ZFJHCCMMPKZCCF-IEBWSBKVSA-N 1 3 331.504 2.840 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000355449824 475948632 /nfs/dbraw/zinc/94/86/32/475948632.db2.gz ZFJHCCMMPKZCCF-IEBWSBKVSA-N 1 3 331.504 2.840 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353419897 475952725 /nfs/dbraw/zinc/95/27/25/475952725.db2.gz DHOVJUPDABYHSD-YDZRNGNQSA-N 1 3 333.520 2.630 20 0 EFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353419897 475952731 /nfs/dbraw/zinc/95/27/31/475952731.db2.gz DHOVJUPDABYHSD-YDZRNGNQSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353428332 475956724 /nfs/dbraw/zinc/95/67/24/475956724.db2.gz MQJDOJUPGVIIDM-MOPGFXCFSA-N 1 3 329.488 2.677 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353428333 475956967 /nfs/dbraw/zinc/95/69/67/475956967.db2.gz MQJDOJUPGVIIDM-OALUTQOASA-N 1 3 329.488 2.677 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)c1ccsc1 ZINC000353429664 475958447 /nfs/dbraw/zinc/95/84/47/475958447.db2.gz PXUDAHSKJMWPSP-BRWVUGGUSA-N 1 3 337.533 2.881 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)c1ccsc1 ZINC000353429662 475959526 /nfs/dbraw/zinc/95/95/26/475959526.db2.gz PXUDAHSKJMWPSP-BBWFWOEESA-N 1 3 337.533 2.881 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353432525 475961069 /nfs/dbraw/zinc/96/10/69/475961069.db2.gz SJKUTDONBZXSMT-VQTJNVASSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358819572 475965234 /nfs/dbraw/zinc/96/52/34/475965234.db2.gz FOOAYNMTORDLJJ-IEBWSBKVSA-N 1 3 333.545 2.678 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000358819572 475965237 /nfs/dbraw/zinc/96/52/37/475965237.db2.gz FOOAYNMTORDLJJ-IEBWSBKVSA-N 1 3 333.545 2.678 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353438106 475966100 /nfs/dbraw/zinc/96/61/00/475966100.db2.gz YWPDNEJWINWTEN-HNNXBMFYSA-N 1 3 345.409 2.814 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353438106 475966107 /nfs/dbraw/zinc/96/61/07/475966107.db2.gz YWPDNEJWINWTEN-HNNXBMFYSA-N 1 3 345.409 2.814 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071098 475977119 /nfs/dbraw/zinc/97/71/19/475977119.db2.gz VTKCUEFWYUYQJQ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071098 475977124 /nfs/dbraw/zinc/97/71/24/475977124.db2.gz VTKCUEFWYUYQJQ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000353453784 475983517 /nfs/dbraw/zinc/98/35/17/475983517.db2.gz RYXHPOHFYKXOBX-JKSUJKDBSA-N 1 3 330.476 2.519 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000358849487 475986014 /nfs/dbraw/zinc/98/60/14/475986014.db2.gz CWSIZOTURNGQHQ-OALUTQOASA-N 1 3 343.446 2.596 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000353459284 475987691 /nfs/dbraw/zinc/98/76/91/475987691.db2.gz LVDLCAIHSAIOLX-LJQANCHMSA-N 1 3 345.531 2.935 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000353462470 475989100 /nfs/dbraw/zinc/98/91/00/475989100.db2.gz SSFJXQHIYQISCK-GBESFXJTSA-N 1 3 347.503 2.582 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000353464759 475990313 /nfs/dbraw/zinc/99/03/13/475990313.db2.gz YSZDWTFXRAQMBW-SXLOBPIMSA-N 1 3 343.515 2.744 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)CC(C)C ZINC000358856061 475991962 /nfs/dbraw/zinc/99/19/62/475991962.db2.gz JZKLTEXWDTYULY-ZWKOTPCHSA-N 1 3 337.483 2.741 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000353465095 475993225 /nfs/dbraw/zinc/99/32/25/475993225.db2.gz ZKAMQLONMDUVDN-UFYCRDLUSA-N 1 3 343.515 2.574 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343369146 475994388 /nfs/dbraw/zinc/99/43/88/475994388.db2.gz KPXAMNPJDMZENL-LXZJYRNTSA-N 1 3 348.535 2.988 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358862847 475996353 /nfs/dbraw/zinc/99/63/53/475996353.db2.gz YGEYJGBOPUQFHV-RTBURBONSA-N 1 3 349.494 2.741 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340382730 475998303 /nfs/dbraw/zinc/99/83/03/475998303.db2.gz NYTBQEOHRXFDNW-VJANTYMQSA-N 1 3 334.504 2.570 20 0 EFADHO C[N@H+]1CC[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340382730 475998307 /nfs/dbraw/zinc/99/83/07/475998307.db2.gz NYTBQEOHRXFDNW-VJANTYMQSA-N 1 3 334.504 2.570 20 0 EFADHO C[N@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000358868194 476000902 /nfs/dbraw/zinc/00/09/02/476000902.db2.gz VRUZHVVVVTUMSZ-LJQANCHMSA-N 1 3 343.446 2.506 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000358868194 476000908 /nfs/dbraw/zinc/00/09/08/476000908.db2.gz VRUZHVVVVTUMSZ-LJQANCHMSA-N 1 3 343.446 2.506 20 0 EFADHO CC1CCC(N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000358875484 476004845 /nfs/dbraw/zinc/00/48/45/476004845.db2.gz BCHJBLPDZXYDCY-PPSBMQLTSA-N 1 3 347.478 2.591 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702418 476006857 /nfs/dbraw/zinc/00/68/57/476006857.db2.gz RBFGLJSZKCQJLL-AEFFLSMTSA-N 1 3 329.423 2.590 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+]([C@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702418 476006862 /nfs/dbraw/zinc/00/68/62/476006862.db2.gz RBFGLJSZKCQJLL-AEFFLSMTSA-N 1 3 329.423 2.590 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353483694 476009476 /nfs/dbraw/zinc/00/94/76/476009476.db2.gz PBZMOVCPPHAVTR-MXSMSXNCSA-N 1 3 349.544 2.881 20 0 EFADHO CCCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000346996736 476019298 /nfs/dbraw/zinc/01/92/98/476019298.db2.gz CWPXPQLHBZTLFL-OAHLLOKOSA-N 1 3 334.460 2.591 20 0 EFADHO CCC[N@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CCNCC1 ZINC000346996736 476019302 /nfs/dbraw/zinc/01/93/02/476019302.db2.gz CWPXPQLHBZTLFL-OAHLLOKOSA-N 1 3 334.460 2.591 20 0 EFADHO CCC[N@@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CCNCC1 ZINC000346996736 476019309 /nfs/dbraw/zinc/01/93/09/476019309.db2.gz CWPXPQLHBZTLFL-OAHLLOKOSA-N 1 3 334.460 2.591 20 0 EFADHO CCCN(Cc1ccc(OCC(=O)OCC)cc1)C1CC[NH2+]CC1 ZINC000347004585 476023080 /nfs/dbraw/zinc/02/30/80/476023080.db2.gz AEEJZFXJLAZSCV-UHFFFAOYSA-N 1 3 334.460 2.593 20 0 EFADHO CCC[N@H+](Cc1ccc(OCC(=O)OCC)cc1)C1CCNCC1 ZINC000347004585 476023090 /nfs/dbraw/zinc/02/30/90/476023090.db2.gz AEEJZFXJLAZSCV-UHFFFAOYSA-N 1 3 334.460 2.593 20 0 EFADHO CCC[N@@H+](Cc1ccc(OCC(=O)OCC)cc1)C1CCNCC1 ZINC000347004585 476023097 /nfs/dbraw/zinc/02/30/97/476023097.db2.gz AEEJZFXJLAZSCV-UHFFFAOYSA-N 1 3 334.460 2.593 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]C3CCC(O)CC3)CC2)cc1 ZINC000353503336 476026564 /nfs/dbraw/zinc/02/65/64/476026564.db2.gz OMEOBDIFPNQUGS-UHFFFAOYSA-N 1 3 332.488 2.800 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000353517579 476039563 /nfs/dbraw/zinc/03/95/63/476039563.db2.gz JBOZSCGPKHYFST-UHFFFAOYSA-N 1 3 342.487 2.928 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1)C1CC1 ZINC000343414967 476043754 /nfs/dbraw/zinc/04/37/54/476043754.db2.gz KJESGXMBTIAXRB-BEFAXECRSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1)C1CC1 ZINC000343414967 476043761 /nfs/dbraw/zinc/04/37/61/476043761.db2.gz KJESGXMBTIAXRB-BEFAXECRSA-N 1 3 329.488 2.883 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)CC2)n1 ZINC000353524690 476045713 /nfs/dbraw/zinc/04/57/13/476045713.db2.gz FGJJOENNOFNWRK-GUDVDZBRSA-N 1 3 328.504 2.821 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525709 476047899 /nfs/dbraw/zinc/04/78/99/476047899.db2.gz YJMPBHBYPYYLGI-XMTFNYHQSA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525709 476047904 /nfs/dbraw/zinc/04/79/04/476047904.db2.gz YJMPBHBYPYYLGI-XMTFNYHQSA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525709 476047907 /nfs/dbraw/zinc/04/79/07/476047907.db2.gz YJMPBHBYPYYLGI-XMTFNYHQSA-N 1 3 338.442 2.893 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@]3(C)CCCO3)cc2)CC1 ZINC000340472691 476056752 /nfs/dbraw/zinc/05/67/52/476056752.db2.gz KJCPCYKYZRSHNU-WIYYLYMNSA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)C(C)(C)OC)cc2)CC1 ZINC000340471564 476057033 /nfs/dbraw/zinc/05/70/33/476057033.db2.gz CUFMPJIRKFJVPW-KRWDZBQOSA-N 1 3 333.520 2.727 20 0 EFADHO Cc1nn(-c2ccncc2)cc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347068391 476074956 /nfs/dbraw/zinc/07/49/56/476074956.db2.gz NXNGTWXGLNWSFY-IBGZPJMESA-N 1 3 325.460 2.540 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347075465 476079861 /nfs/dbraw/zinc/07/98/61/476079861.db2.gz UJYLMAUXYXSOMC-BEFAXECRSA-N 1 3 346.471 2.591 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)CC(C)C ZINC000340517061 476080391 /nfs/dbraw/zinc/08/03/91/476080391.db2.gz YFVICSNYPYVSRV-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)CC(C)C ZINC000340517061 476080387 /nfs/dbraw/zinc/08/03/87/476080387.db2.gz YFVICSNYPYVSRV-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CSC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCC1 ZINC000356100247 476080632 /nfs/dbraw/zinc/08/06/32/476080632.db2.gz AIMVDQRUPGOTAG-UHFFFAOYSA-N 1 3 325.566 2.763 20 0 EFADHO CSc1cc2c(cc1CN1CCC(C[NH+](C)C)CC1)OCCO2 ZINC000350177230 476081638 /nfs/dbraw/zinc/08/16/38/476081638.db2.gz QEYMIYOCZRZTDB-UHFFFAOYSA-N 1 3 336.501 2.953 20 0 EFADHO Cc1cc([C@](C)(O)C[NH2+]C2CCN(c3ccncc3)CC2)c(C)o1 ZINC000298407016 476083176 /nfs/dbraw/zinc/08/31/76/476083176.db2.gz LYPFSVORJMOGHW-LJQANCHMSA-N 1 3 329.444 2.758 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)CN(C)C(C)C)CC1)CC(C)C ZINC000358983258 476089551 /nfs/dbraw/zinc/08/95/51/476089551.db2.gz UZSCMZWJMWJUBA-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)CN(C)C(C)C)CC1)CC(C)C ZINC000358983258 476089559 /nfs/dbraw/zinc/08/95/59/476089559.db2.gz UZSCMZWJMWJUBA-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000356223026 476091477 /nfs/dbraw/zinc/09/14/77/476091477.db2.gz MGAUGNHLLKNSEX-FGTMMUONSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000356223027 476092246 /nfs/dbraw/zinc/09/22/46/476092246.db2.gz MGAUGNHLLKNSEX-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCCCC1 ZINC000356275214 476095393 /nfs/dbraw/zinc/09/53/93/476095393.db2.gz DOJUVLXRIIKRNT-FUHWJXTLSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCN1C ZINC000343663203 476097771 /nfs/dbraw/zinc/09/77/71/476097771.db2.gz XGKWQMGZRCCPKO-QFBILLFUSA-N 1 3 344.503 2.564 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000356448902 476104949 /nfs/dbraw/zinc/10/49/49/476104949.db2.gz UPUMOMMEWKLSIV-FQEVSTJZSA-N 1 3 337.552 2.685 20 0 EFADHO C[N@@H+]1CCCC[C@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000356448902 476104954 /nfs/dbraw/zinc/10/49/54/476104954.db2.gz UPUMOMMEWKLSIV-FQEVSTJZSA-N 1 3 337.552 2.685 20 0 EFADHO C[N@H+]1CCCC[C@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000356448902 476104957 /nfs/dbraw/zinc/10/49/57/476104957.db2.gz UPUMOMMEWKLSIV-FQEVSTJZSA-N 1 3 337.552 2.685 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2nc3ccccc3n2C)C1 ZINC000350244413 476105237 /nfs/dbraw/zinc/10/52/37/476105237.db2.gz CKXJJMMGGNCZLB-KRWDZBQOSA-N 1 3 344.503 2.549 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2nc3ccccc3n2C)C1 ZINC000350244415 476106147 /nfs/dbraw/zinc/10/61/47/476106147.db2.gz CKXJJMMGGNCZLB-QGZVFWFLSA-N 1 3 344.503 2.549 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359010407 476111551 /nfs/dbraw/zinc/11/15/51/476111551.db2.gz OGJUPNDJBFVYLB-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO O[C@@H]1C[C@@H](CNc2ccnc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000340574800 476115311 /nfs/dbraw/zinc/11/53/11/476115311.db2.gz SQKXTDRXMJYOHE-ZWKOTPCHSA-N 1 3 333.435 2.704 20 0 EFADHO O[C@@H]1C[C@@H](CNc2ccnc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000340574800 476115319 /nfs/dbraw/zinc/11/53/19/476115319.db2.gz SQKXTDRXMJYOHE-ZWKOTPCHSA-N 1 3 333.435 2.704 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000336681649 476124390 /nfs/dbraw/zinc/12/43/90/476124390.db2.gz DWIQARBFIVXKCW-XIKSMUEASA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000336681649 476124396 /nfs/dbraw/zinc/12/43/96/476124396.db2.gz DWIQARBFIVXKCW-XIKSMUEASA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H]1OC ZINC000336795422 476132691 /nfs/dbraw/zinc/13/26/91/476132691.db2.gz KLESHGBEFRKBCL-JRBOJVLQSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H]1OC ZINC000336795422 476132699 /nfs/dbraw/zinc/13/26/99/476132699.db2.gz KLESHGBEFRKBCL-JRBOJVLQSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@H]1OC ZINC000336795422 476132707 /nfs/dbraw/zinc/13/27/07/476132707.db2.gz KLESHGBEFRKBCL-JRBOJVLQSA-N 1 3 344.499 2.679 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000359038167 476134422 /nfs/dbraw/zinc/13/44/22/476134422.db2.gz KVXMRJVZPXIHFD-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000359038167 476134430 /nfs/dbraw/zinc/13/44/30/476134430.db2.gz KVXMRJVZPXIHFD-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359039955 476135934 /nfs/dbraw/zinc/13/59/34/476135934.db2.gz OAHOOTCZIFCGMS-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359039955 476135943 /nfs/dbraw/zinc/13/59/43/476135943.db2.gz OAHOOTCZIFCGMS-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000343955973 476138153 /nfs/dbraw/zinc/13/81/53/476138153.db2.gz FHQVAABDRTXRIW-AOIWGVFYSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000343955973 476138158 /nfs/dbraw/zinc/13/81/58/476138158.db2.gz FHQVAABDRTXRIW-AOIWGVFYSA-N 1 3 346.519 2.679 20 0 EFADHO COc1cc([C@H](C)NCC2(SC)CC[NH+](C)CC2)c(F)cn1 ZINC000353630603 476139127 /nfs/dbraw/zinc/13/91/27/476139127.db2.gz MTYNTLIXMFEYAH-LBPRGKRZSA-N 1 3 327.469 2.707 20 0 EFADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000356910756 476145935 /nfs/dbraw/zinc/14/59/35/476145935.db2.gz YXMUSECDORVICE-HAGHYFMRSA-N 1 3 336.483 2.767 20 0 EFADHO CCC[N@H+](Cc1ccc(OCCOC)c(OC)c1)C1CCNCC1 ZINC000347172143 476146648 /nfs/dbraw/zinc/14/66/48/476146648.db2.gz OIQRFIUWDVXADG-UHFFFAOYSA-N 1 3 336.476 2.684 20 0 EFADHO CCC[N@@H+](Cc1ccc(OCCOC)c(OC)c1)C1CCNCC1 ZINC000347172143 476146654 /nfs/dbraw/zinc/14/66/54/476146654.db2.gz OIQRFIUWDVXADG-UHFFFAOYSA-N 1 3 336.476 2.684 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000347180592 476153888 /nfs/dbraw/zinc/15/38/88/476153888.db2.gz CADPURXAQNNGMJ-IXDOHACOSA-N 1 3 345.487 2.549 20 0 EFADHO C[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCC[C@H]1C ZINC000344149422 476164047 /nfs/dbraw/zinc/16/40/47/476164047.db2.gz UIHWQMGCZZXGSO-BDXSIMOUSA-N 1 3 336.524 2.518 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663278 476169595 /nfs/dbraw/zinc/16/95/95/476169595.db2.gz UIUVHSPKXPFYPH-GUDVDZBRSA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663278 476169602 /nfs/dbraw/zinc/16/96/02/476169602.db2.gz UIUVHSPKXPFYPH-GUDVDZBRSA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663278 476169607 /nfs/dbraw/zinc/16/96/07/476169607.db2.gz UIUVHSPKXPFYPH-GUDVDZBRSA-N 1 3 328.504 2.953 20 0 EFADHO C[C@H](CCc1ccsc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000353668446 476171630 /nfs/dbraw/zinc/17/16/30/476171630.db2.gz GDIWVFCKRHUVRX-MRXNPFEDSA-N 1 3 337.533 2.651 20 0 EFADHO Cn1cc(-c2ccc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)s2)cn1 ZINC000357040894 476179723 /nfs/dbraw/zinc/17/97/23/476179723.db2.gz CSJSOZDAUGISDN-OAHLLOKOSA-N 1 3 330.501 2.970 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)CC1 ZINC000344262339 476196609 /nfs/dbraw/zinc/19/66/09/476196609.db2.gz WTWVYQXKYUBOMW-FUHWJXTLSA-N 1 3 338.540 2.526 20 0 EFADHO CC[C@@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000340694782 476212299 /nfs/dbraw/zinc/21/22/99/476212299.db2.gz IAWKTVMVWVKNOX-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079015 476213479 /nfs/dbraw/zinc/21/34/79/476213479.db2.gz KXPRTSURQOEINL-WOJBJXKFSA-N 1 3 343.515 2.918 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)CN1CCCCC1)CC(C)C ZINC000302953365 476215036 /nfs/dbraw/zinc/21/50/36/476215036.db2.gz OLMMUGLPTFPTFV-MSOLQXFVSA-N 1 3 340.556 2.917 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(CC)CC ZINC000359421061 476231801 /nfs/dbraw/zinc/23/18/01/476231801.db2.gz MFANPVWSPZGXTK-KZNAEPCWSA-N 1 3 335.467 2.508 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303449184 476236027 /nfs/dbraw/zinc/23/60/27/476236027.db2.gz HXKFCZNIHBFLSA-KZNAEPCWSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000303452933 476236356 /nfs/dbraw/zinc/23/63/56/476236356.db2.gz JBJAMGOHQYWBKJ-ZWKOTPCHSA-N 1 3 340.556 2.917 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000303603477 476242338 /nfs/dbraw/zinc/24/23/38/476242338.db2.gz NZCMFJVOJFAPEF-RBUKOAKNSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000303603477 476242344 /nfs/dbraw/zinc/24/23/44/476242344.db2.gz NZCMFJVOJFAPEF-RBUKOAKNSA-N 1 3 346.519 2.853 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000353748333 476242632 /nfs/dbraw/zinc/24/26/32/476242632.db2.gz HXGUQUMAQANWBQ-RYRKJORJSA-N 1 3 348.487 2.932 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000353748333 476242638 /nfs/dbraw/zinc/24/26/38/476242638.db2.gz HXGUQUMAQANWBQ-RYRKJORJSA-N 1 3 348.487 2.932 20 0 EFADHO Cc1c(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cnn1C ZINC000350557898 476242994 /nfs/dbraw/zinc/24/29/94/476242994.db2.gz OSFZOHFVNUUBJX-AZUAARDMSA-N 1 3 326.488 2.901 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010118 476281305 /nfs/dbraw/zinc/28/13/05/476281305.db2.gz DNQGSNMFGHFBDZ-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010118 476281308 /nfs/dbraw/zinc/28/13/08/476281308.db2.gz DNQGSNMFGHFBDZ-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360326249 476299258 /nfs/dbraw/zinc/29/92/58/476299258.db2.gz FTDOCOWKFKYWEA-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360326249 476299261 /nfs/dbraw/zinc/29/92/61/476299261.db2.gz FTDOCOWKFKYWEA-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000353852001 476301122 /nfs/dbraw/zinc/30/11/22/476301122.db2.gz RSLWGYGSVRLDAQ-FHWLQOOXSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000357275620 476312246 /nfs/dbraw/zinc/31/22/46/476312246.db2.gz PKNVKHZZURRWRW-YSHGAJCASA-N 1 3 344.503 2.556 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000357275620 476312250 /nfs/dbraw/zinc/31/22/50/476312250.db2.gz PKNVKHZZURRWRW-YSHGAJCASA-N 1 3 344.503 2.556 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1)C1CC1 ZINC000357297223 476320659 /nfs/dbraw/zinc/32/06/59/476320659.db2.gz AYVZOFQKRFRZNE-ZRGWGRIASA-N 1 3 329.488 2.787 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1)C1CC1 ZINC000357297219 476320724 /nfs/dbraw/zinc/32/07/24/476320724.db2.gz AYVZOFQKRFRZNE-QMTMVMCOSA-N 1 3 329.488 2.787 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000357321155 476330569 /nfs/dbraw/zinc/33/05/69/476330569.db2.gz ZYHBXPNOJXKKSM-AOIWGVFYSA-N 1 3 346.519 2.722 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353950809 476333860 /nfs/dbraw/zinc/33/38/60/476333860.db2.gz HAAYDNPHDBGEGB-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353950809 476333862 /nfs/dbraw/zinc/33/38/62/476333862.db2.gz HAAYDNPHDBGEGB-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000357360103 476345331 /nfs/dbraw/zinc/34/53/31/476345331.db2.gz VDFKHIVPTHEAEN-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000357360103 476345334 /nfs/dbraw/zinc/34/53/34/476345334.db2.gz VDFKHIVPTHEAEN-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000353985146 476348019 /nfs/dbraw/zinc/34/80/19/476348019.db2.gz BRUBWHVEHCQHTK-IPMKNSEASA-N 1 3 325.541 2.587 20 0 EFADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353993472 476350132 /nfs/dbraw/zinc/35/01/32/476350132.db2.gz SPWRFCFYYGOVHW-PMACEKPBSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000353993474 476350253 /nfs/dbraw/zinc/35/02/53/476350253.db2.gz SPWRFCFYYGOVHW-VQTJNVASSA-N 1 3 341.499 2.594 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1)C1CC1 ZINC000357380188 476350816 /nfs/dbraw/zinc/35/08/16/476350816.db2.gz ACJKUKOYOSRTQK-QAPCUYQASA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1)C1CC1 ZINC000357380188 476350819 /nfs/dbraw/zinc/35/08/19/476350819.db2.gz ACJKUKOYOSRTQK-QAPCUYQASA-N 1 3 329.488 2.883 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000354004676 476355196 /nfs/dbraw/zinc/35/51/96/476355196.db2.gz CGTCNZQBICEMKG-KRWDZBQOSA-N 1 3 347.503 2.573 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000354012409 476364153 /nfs/dbraw/zinc/36/41/53/476364153.db2.gz YYFPICOKRPTFHZ-QGZVFWFLSA-N 1 3 329.488 2.839 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cnn3ccccc23)CC1 ZINC000354026153 476375627 /nfs/dbraw/zinc/37/56/27/476375627.db2.gz ONWPMJMIAPXBBR-UHFFFAOYSA-N 1 3 330.476 2.657 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000373124230 476378341 /nfs/dbraw/zinc/37/83/41/476378341.db2.gz QJHICXCEKZACJT-HKUYNNGSSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000369087483 476390452 /nfs/dbraw/zinc/39/04/52/476390452.db2.gz ILTLLYVEKBUAIY-MOPGFXCFSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000369087483 476390457 /nfs/dbraw/zinc/39/04/57/476390457.db2.gz ILTLLYVEKBUAIY-MOPGFXCFSA-N 1 3 331.504 2.601 20 0 EFADHO COCCn1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000354077625 476409091 /nfs/dbraw/zinc/40/90/91/476409091.db2.gz GAKRCGQJEXMZPY-UHFFFAOYSA-N 1 3 334.508 2.618 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1(C)C ZINC000369500407 476422143 /nfs/dbraw/zinc/42/21/43/476422143.db2.gz LKRWYGVULGDMCE-PKOBYXMFSA-N 1 3 330.520 2.723 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000362853942 476443344 /nfs/dbraw/zinc/44/33/44/476443344.db2.gz GNTSQJCKAUEJGM-KRWDZBQOSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000362853942 476443350 /nfs/dbraw/zinc/44/33/50/476443350.db2.gz GNTSQJCKAUEJGM-KRWDZBQOSA-N 1 3 329.488 2.552 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000360881040 476450543 /nfs/dbraw/zinc/45/05/43/476450543.db2.gz JOYYKDYFGJFJKG-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000360881039 476451556 /nfs/dbraw/zinc/45/15/56/476451556.db2.gz JOYYKDYFGJFJKG-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000360886622 476455226 /nfs/dbraw/zinc/45/52/26/476455226.db2.gz SBONDZIXOHHBPB-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000360886622 476455229 /nfs/dbraw/zinc/45/52/29/476455229.db2.gz SBONDZIXOHHBPB-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000354204535 476501856 /nfs/dbraw/zinc/50/18/56/476501856.db2.gz FOELZEUITQYSRI-DOTOQJQBSA-N 1 3 349.544 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000354204535 476501860 /nfs/dbraw/zinc/50/18/60/476501860.db2.gz FOELZEUITQYSRI-DOTOQJQBSA-N 1 3 349.544 2.828 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357632039 476502943 /nfs/dbraw/zinc/50/29/43/476502943.db2.gz JPGZKNNXFBUUNH-YTQUADARSA-N 1 3 331.504 2.790 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000357640253 476506795 /nfs/dbraw/zinc/50/67/95/476506795.db2.gz PPFMBYVRFJXZJQ-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000357640253 476506802 /nfs/dbraw/zinc/50/68/02/476506802.db2.gz PPFMBYVRFJXZJQ-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987873 476506875 /nfs/dbraw/zinc/50/68/75/476506875.db2.gz NOZHCWMHJJGLIK-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987873 476506880 /nfs/dbraw/zinc/50/68/80/476506880.db2.gz NOZHCWMHJJGLIK-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000357655644 476517344 /nfs/dbraw/zinc/51/73/44/476517344.db2.gz VPZMLCVMGSQCGN-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000357655644 476517349 /nfs/dbraw/zinc/51/73/49/476517349.db2.gz VPZMLCVMGSQCGN-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000354230948 476524584 /nfs/dbraw/zinc/52/45/84/476524584.db2.gz PNUHCDQZXSKUED-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000354245610 476534545 /nfs/dbraw/zinc/53/45/45/476534545.db2.gz TUXUITVTBHLIFS-RTBURBONSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)(C)[NH+]1CCC(Nc2cccc(CN3CC[C@H](O)C3)c2)CC1 ZINC000361044216 476564061 /nfs/dbraw/zinc/56/40/61/476564061.db2.gz KRRRAMYUZCVNAL-IBGZPJMESA-N 1 3 331.504 2.928 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000361051895 476567399 /nfs/dbraw/zinc/56/73/99/476567399.db2.gz LLQCAXWBORCVML-FXAWDEMLSA-N 1 3 329.488 2.801 20 0 EFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)CN2CCC(C)CC2)c1 ZINC000354311035 476577850 /nfs/dbraw/zinc/57/78/50/476577850.db2.gz IXIWCWYUAJAPPX-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C1CC1 ZINC000361082526 476588272 /nfs/dbraw/zinc/58/82/72/476588272.db2.gz VQRZMUXOTULESB-VQTJNVASSA-N 1 3 341.499 2.789 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000357807828 476620914 /nfs/dbraw/zinc/62/09/14/476620914.db2.gz BAGNHLSDHIWXCR-ZHALLVOQSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000357807828 476620916 /nfs/dbraw/zinc/62/09/16/476620916.db2.gz BAGNHLSDHIWXCR-ZHALLVOQSA-N 1 3 346.519 2.850 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)CC(C)C ZINC000357815815 476625364 /nfs/dbraw/zinc/62/53/64/476625364.db2.gz NOFCNZLKIOHJTD-WMZOPIPTSA-N 1 3 338.540 2.693 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@H]4CCCC[C@H]43)C2)CC1 ZINC000370008122 476629334 /nfs/dbraw/zinc/62/93/34/476629334.db2.gz NYIVQOOMTUPOPG-RTBURBONSA-N 1 3 347.547 2.975 20 0 EFADHO COCCOc1cccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000377886136 476630116 /nfs/dbraw/zinc/63/01/16/476630116.db2.gz YTNHFRFMPPITSV-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO COCCOc1cccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c1 ZINC000377886136 476630120 /nfs/dbraw/zinc/63/01/20/476630120.db2.gz YTNHFRFMPPITSV-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccs1 ZINC000377941995 476649570 /nfs/dbraw/zinc/64/95/70/476649570.db2.gz LQIPEKOKNCAXGU-DOTOQJQBSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357866733 476659770 /nfs/dbraw/zinc/65/97/70/476659770.db2.gz KAFREMACKZBROT-IRXDYDNUSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357866733 476659780 /nfs/dbraw/zinc/65/97/80/476659780.db2.gz KAFREMACKZBROT-IRXDYDNUSA-N 1 3 336.524 2.591 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000352365790 476665998 /nfs/dbraw/zinc/66/59/98/476665998.db2.gz XAPWECDWCNCISP-HXUWFJFHSA-N 1 3 347.547 2.752 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N1CCCN(C2CCCC2)CC1 ZINC000365765650 476689407 /nfs/dbraw/zinc/68/94/07/476689407.db2.gz DYEMJQUTBOZVEK-UHFFFAOYSA-N 1 3 341.565 2.538 20 0 EFADHO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000378353411 476699113 /nfs/dbraw/zinc/69/91/13/476699113.db2.gz FOTTXLHHUSUCFU-PMACEKPBSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N(C)C ZINC000422214458 476707672 /nfs/dbraw/zinc/70/76/72/476707672.db2.gz ZNIRCDQOVDXBAK-AOIWGVFYSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N(C)C ZINC000422214458 476707681 /nfs/dbraw/zinc/70/76/81/476707681.db2.gz ZNIRCDQOVDXBAK-AOIWGVFYSA-N 1 3 346.519 2.722 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CCN1C/C=C/C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308481 476712702 /nfs/dbraw/zinc/71/27/02/476712702.db2.gz KHWUXWPUEWLEPH-CWEPQNFKSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CCN1C/C=C/C[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308481 476712713 /nfs/dbraw/zinc/71/27/13/476712713.db2.gz KHWUXWPUEWLEPH-CWEPQNFKSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1C/C=C/CN1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308481 476712720 /nfs/dbraw/zinc/71/27/20/476712720.db2.gz KHWUXWPUEWLEPH-CWEPQNFKSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1C/C=C/CN1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308481 476712725 /nfs/dbraw/zinc/71/27/25/476712725.db2.gz KHWUXWPUEWLEPH-CWEPQNFKSA-N 1 3 338.536 2.505 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NC(C)(C)CC[NH3+])c2ccccc2)CC1 ZINC000422597304 476715707 /nfs/dbraw/zinc/71/57/07/476715707.db2.gz KBROAYDKPHPPJJ-SFHVURJKSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422688398 476731756 /nfs/dbraw/zinc/73/17/56/476731756.db2.gz CXAOQYYBNHCQSE-UWJYYQICSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccncc2)CC1 ZINC000422688398 476731760 /nfs/dbraw/zinc/73/17/60/476731760.db2.gz CXAOQYYBNHCQSE-UWJYYQICSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422688396 476731919 /nfs/dbraw/zinc/73/19/19/476731919.db2.gz CXAOQYYBNHCQSE-LAUBAEHRSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccncc2)CC1 ZINC000422688396 476731926 /nfs/dbraw/zinc/73/19/26/476731926.db2.gz CXAOQYYBNHCQSE-LAUBAEHRSA-N 1 3 338.499 2.594 20 0 EFADHO COCCSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365852591 476732402 /nfs/dbraw/zinc/73/24/02/476732402.db2.gz AJZLAONDVIEYDU-CALCHBBNSA-N 1 3 344.565 2.577 20 0 EFADHO CN(C(=O)[C@@H]1CCCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000379891870 476733238 /nfs/dbraw/zinc/73/32/38/476733238.db2.gz FERSXLUEVICKRE-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccncc2)CC1 ZINC000422693746 476734042 /nfs/dbraw/zinc/73/40/42/476734042.db2.gz MLKAVNABMBQKOL-XLIONFOSSA-N 1 3 330.520 2.946 20 0 EFADHO c1cc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)ccn1 ZINC000422693755 476734386 /nfs/dbraw/zinc/73/43/86/476734386.db2.gz MMKWZCGTCKPKEU-NJDAHSKKSA-N 1 3 342.531 2.946 20 0 EFADHO c1cc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)ccn1 ZINC000422693757 476734510 /nfs/dbraw/zinc/73/45/10/476734510.db2.gz MMKWZCGTCKPKEU-PWRODBHTSA-N 1 3 342.531 2.946 20 0 EFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365866343 476740646 /nfs/dbraw/zinc/74/06/46/476740646.db2.gz MLERDDGJHSBJIQ-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365866343 476740654 /nfs/dbraw/zinc/74/06/54/476740654.db2.gz MLERDDGJHSBJIQ-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000365871217 476743757 /nfs/dbraw/zinc/74/37/57/476743757.db2.gz ADYPBAAZTLZZRZ-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO Fc1ccc(CN2CCC(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000422724972 476745530 /nfs/dbraw/zinc/74/55/30/476745530.db2.gz XGTBKDIULHXYTO-SJPCQFCGSA-N 1 3 335.442 2.802 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000422724207 476746048 /nfs/dbraw/zinc/74/60/48/476746048.db2.gz UXXFNNNDMDAQPW-BEVDRBHNSA-N 1 3 341.455 2.503 20 0 EFADHO C[C@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726444 476746368 /nfs/dbraw/zinc/74/63/68/476746368.db2.gz ZXTTXJZHDYUDLO-LIRRHRJNSA-N 1 3 337.458 2.907 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000382762388 476747061 /nfs/dbraw/zinc/74/70/61/476747061.db2.gz LHXFVXGNIZYIMZ-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000382762383 476748262 /nfs/dbraw/zinc/74/82/62/476748262.db2.gz LHXFVXGNIZYIMZ-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422730599 476748364 /nfs/dbraw/zinc/74/83/64/476748364.db2.gz MHMAXBJEPOSPRM-WOSRLPQWSA-N 1 3 329.410 2.995 20 0 EFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422729909 476748394 /nfs/dbraw/zinc/74/83/94/476748394.db2.gz LGTQFYWTWODGQT-XYPHTWIQSA-N 1 3 341.421 2.867 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422730602 476748539 /nfs/dbraw/zinc/74/85/39/476748539.db2.gz MHMAXBJEPOSPRM-ZENOOKHLSA-N 1 3 329.410 2.995 20 0 EFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736913 476752885 /nfs/dbraw/zinc/75/28/85/476752885.db2.gz YTGCWXKFXYNAID-UWHLTILDSA-N 1 3 345.531 2.816 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)N(C)C)c1 ZINC000422737930 476754358 /nfs/dbraw/zinc/75/43/58/476754358.db2.gz XYSXUWHWTVLPCG-CZAAIQMYSA-N 1 3 341.499 2.846 20 0 EFADHO COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)c1 ZINC000422737930 476754363 /nfs/dbraw/zinc/75/43/63/476754363.db2.gz XYSXUWHWTVLPCG-CZAAIQMYSA-N 1 3 341.499 2.846 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422745645 476756076 /nfs/dbraw/zinc/75/60/76/476756076.db2.gz MQYDMFIORWWEIG-STQMWFEESA-N 1 3 340.414 2.937 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)N(C)C ZINC000422748743 476757305 /nfs/dbraw/zinc/75/73/05/476757305.db2.gz VWADDHUNJVGYRV-AHRSYUTCSA-N 1 3 341.499 2.846 20 0 EFADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N(C)C ZINC000422748743 476757313 /nfs/dbraw/zinc/75/73/13/476757313.db2.gz VWADDHUNJVGYRV-AHRSYUTCSA-N 1 3 341.499 2.846 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000422750797 476759034 /nfs/dbraw/zinc/75/90/34/476759034.db2.gz BOWULJWTJWVSSM-UYAOXDASSA-N 1 3 345.531 2.570 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422755052 476761039 /nfs/dbraw/zinc/76/10/39/476761039.db2.gz FHQJCIXUKDYHFR-APWZRJJASA-N 1 3 329.488 2.517 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422753039 476761279 /nfs/dbraw/zinc/76/12/79/476761279.db2.gz DEAZATYBUPQZML-BTHPGYMESA-N 1 3 332.488 2.586 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759649 476764079 /nfs/dbraw/zinc/76/40/79/476764079.db2.gz LDXVXQVSPYIKLI-SOUVJXGZSA-N 1 3 339.430 2.974 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759649 476764090 /nfs/dbraw/zinc/76/40/90/476764090.db2.gz LDXVXQVSPYIKLI-SOUVJXGZSA-N 1 3 339.430 2.974 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759651 476764302 /nfs/dbraw/zinc/76/43/02/476764302.db2.gz LDXVXQVSPYIKLI-ZNMIVQPWSA-N 1 3 339.430 2.974 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759651 476764308 /nfs/dbraw/zinc/76/43/08/476764308.db2.gz LDXVXQVSPYIKLI-ZNMIVQPWSA-N 1 3 339.430 2.974 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770738 476769642 /nfs/dbraw/zinc/76/96/42/476769642.db2.gz WOZPSGOZPHSRDE-HOJAQTOUSA-N 1 3 331.504 2.939 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000387453456 476771568 /nfs/dbraw/zinc/77/15/68/476771568.db2.gz VIQOWVOZWUQPBH-GOSISDBHSA-N 1 3 340.895 2.680 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422784806 476774962 /nfs/dbraw/zinc/77/49/62/476774962.db2.gz OULPVWAPLZZRGC-HNNXBMFYSA-N 1 3 338.499 2.599 20 0 EFADHO Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(CN)nc3C)CC2)nc1 ZINC000422786356 476775178 /nfs/dbraw/zinc/77/51/78/476775178.db2.gz QGDBXTZHGSDROP-OAHLLOKOSA-N 1 3 339.487 2.872 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422793320 476777955 /nfs/dbraw/zinc/77/79/55/476777955.db2.gz XYPDOIDEOYJWPT-UTKZUKDTSA-N 1 3 337.511 2.634 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422792919 476778290 /nfs/dbraw/zinc/77/82/90/476778290.db2.gz DXMVNCVVXKZXRJ-CSMYWGQOSA-N 1 3 328.859 2.880 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCC2(N(C)C)CCC2)CC1 ZINC000445863189 476782060 /nfs/dbraw/zinc/78/20/60/476782060.db2.gz UXXJPKPLGMLPQK-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445867156 476783261 /nfs/dbraw/zinc/78/32/61/476783261.db2.gz SWQOMXOUJMPGFF-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413897374 476783611 /nfs/dbraw/zinc/78/36/11/476783611.db2.gz DOCABQHSIZPRRL-ZDUSSCGKSA-N 1 3 339.455 2.871 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000422804794 476784719 /nfs/dbraw/zinc/78/47/19/476784719.db2.gz FQYOKGNYVXRTIM-XKGFGPFHSA-N 1 3 345.531 2.774 20 0 EFADHO Cc1cccc(N2CCN(CCCCN[C@H](C)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422815351 476790685 /nfs/dbraw/zinc/79/06/85/476790685.db2.gz XLSXSNUNLLNJPB-TZIWHRDSSA-N 1 3 344.547 2.627 20 0 EFADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422817145 476791268 /nfs/dbraw/zinc/79/12/68/476791268.db2.gz GVCXMCHLHVXYSL-WTGUMLROSA-N 1 3 337.552 2.634 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000422822299 476796332 /nfs/dbraw/zinc/79/63/32/476796332.db2.gz AOAHZARWANPEAC-YJBOKZPZSA-N 1 3 333.476 2.785 20 0 EFADHO NC[C@H]1CCC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725722 476797124 /nfs/dbraw/zinc/79/71/24/476797124.db2.gz DKOHBKMCMYIIBM-LJQANCHMSA-N 1 3 345.487 2.706 20 0 EFADHO NC[C@H]1CCC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725722 476797136 /nfs/dbraw/zinc/79/71/36/476797136.db2.gz DKOHBKMCMYIIBM-LJQANCHMSA-N 1 3 345.487 2.706 20 0 EFADHO [NH3+]C[C@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725722 476797140 /nfs/dbraw/zinc/79/71/40/476797140.db2.gz DKOHBKMCMYIIBM-LJQANCHMSA-N 1 3 345.487 2.706 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422828253 476797310 /nfs/dbraw/zinc/79/73/10/476797310.db2.gz OEDSINRYLFGEFB-CEXWTWQISA-N 1 3 345.487 2.785 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(Cn2ccnc2)c1 ZINC000422826722 476797667 /nfs/dbraw/zinc/79/76/67/476797667.db2.gz LYHPCOATEKHILW-UWJYYQICSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422826722 476797675 /nfs/dbraw/zinc/79/76/75/476797675.db2.gz LYHPCOATEKHILW-UWJYYQICSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1ccccc1Br ZINC000422830343 476799124 /nfs/dbraw/zinc/79/91/24/476799124.db2.gz CVKUJAAUGGZKRM-BZPMIXESSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1ccccc1Br ZINC000422830343 476799133 /nfs/dbraw/zinc/79/91/33/476799133.db2.gz CVKUJAAUGGZKRM-BZPMIXESSA-N 1 3 327.266 2.933 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390771204 476799504 /nfs/dbraw/zinc/79/95/04/476799504.db2.gz JNDPWFSARWDGSJ-CEXWTWQISA-N 1 3 329.488 2.675 20 0 EFADHO Fc1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422838020 476802985 /nfs/dbraw/zinc/80/29/85/476802985.db2.gz NNTVVTSDJSWYCP-RCCFBDPRSA-N 1 3 331.435 2.596 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422846611 476808319 /nfs/dbraw/zinc/80/83/19/476808319.db2.gz QDMDJTKGNUGBAF-GBESFXJTSA-N 1 3 332.463 2.994 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000391683298 476815040 /nfs/dbraw/zinc/81/50/40/476815040.db2.gz SWXIRWFCTVBHPU-QFBILLFUSA-N 1 3 331.504 2.901 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000391683298 476815045 /nfs/dbraw/zinc/81/50/45/476815045.db2.gz SWXIRWFCTVBHPU-QFBILLFUSA-N 1 3 331.504 2.901 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccn(-c2ccccc2)n1 ZINC000422864738 476817000 /nfs/dbraw/zinc/81/70/00/476817000.db2.gz VUNYRGCLLWZBTO-UWJYYQICSA-N 1 3 334.467 2.963 20 0 EFADHO COc1cc2[nH]c(CCCN[C@@H]3C[NH2+]CC[C@@H]3C)cc2c(OC)c1 ZINC000422869119 476820687 /nfs/dbraw/zinc/82/06/87/476820687.db2.gz WDZHGORIKTZUCO-SCLBCKFNSA-N 1 3 331.460 2.705 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000392150714 476822950 /nfs/dbraw/zinc/82/29/50/476822950.db2.gz WQGKNUYZCZNEFE-IEBWSBKVSA-N 1 3 329.488 2.720 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2CN)cc1OC(F)F ZINC000422880138 476824748 /nfs/dbraw/zinc/82/47/48/476824748.db2.gz NIIKPZCLSZSJAF-UONOGXRCSA-N 1 3 328.403 2.946 20 0 EFADHO CCN1CCN(Cc2ccc(CN[C@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000422888664 476829015 /nfs/dbraw/zinc/82/90/15/476829015.db2.gz DNTVEHBMVXBJEM-RTWAWAEBSA-N 1 3 344.547 2.574 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890432 476830761 /nfs/dbraw/zinc/83/07/61/476830761.db2.gz SCQFBHCSAPWJJE-CGTJXYLNSA-N 1 3 348.487 2.765 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899064 476834935 /nfs/dbraw/zinc/83/49/35/476834935.db2.gz NMXQEWMROYUESD-JGGQBBKZSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899064 476834939 /nfs/dbraw/zinc/83/49/39/476834939.db2.gz NMXQEWMROYUESD-JGGQBBKZSA-N 1 3 346.393 2.552 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422899268 476835314 /nfs/dbraw/zinc/83/53/14/476835314.db2.gz OCFDAWWZYXXGKZ-XUVXKRRUSA-N 1 3 331.504 2.637 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422900007 476836357 /nfs/dbraw/zinc/83/63/57/476836357.db2.gz PQRNKHFTRNVVKQ-SLFFLAALSA-N 1 3 331.504 2.637 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000422914887 476844796 /nfs/dbraw/zinc/84/47/96/476844796.db2.gz WJLSMZXINLUVNJ-CQSZACIVSA-N 1 3 328.460 2.962 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000422917122 476845485 /nfs/dbraw/zinc/84/54/85/476845485.db2.gz CMXXTUPETKOYCL-YDZRNGNQSA-N 1 3 332.488 2.899 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000430545972 476852573 /nfs/dbraw/zinc/85/25/73/476852573.db2.gz BYACKJNVKGVVCX-IRXDYDNUSA-N 1 3 331.504 2.882 20 0 EFADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422941198 476855567 /nfs/dbraw/zinc/85/55/67/476855567.db2.gz OGLCPZRIHKLGPF-BMGDILEWSA-N 1 3 348.487 2.859 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000422937924 476855951 /nfs/dbraw/zinc/85/59/51/476855951.db2.gz DHDOLOOZAIFWPA-PXNSSMCTSA-N 1 3 339.483 2.631 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422941937 476856508 /nfs/dbraw/zinc/85/65/08/476856508.db2.gz OYRJZVDRNPQXIW-HSALFYBXSA-N 1 3 348.487 2.983 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422943011 476856985 /nfs/dbraw/zinc/85/69/85/476856985.db2.gz XJSVQHSMFRVHIO-RRQGHBQHSA-N 1 3 326.868 2.841 20 0 EFADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422949454 476860244 /nfs/dbraw/zinc/86/02/44/476860244.db2.gz VCVIKSBTOJVWQV-LVQVYYBASA-N 1 3 338.517 2.765 20 0 EFADHO N[C@@H]1CCC[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)C1 ZINC000397821401 476862081 /nfs/dbraw/zinc/86/20/81/476862081.db2.gz DZEPZXGMSVBPHM-MSOLQXFVSA-N 1 3 333.476 2.943 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCC[C@@H]3CN)cc2)n1 ZINC000422952145 476862738 /nfs/dbraw/zinc/86/27/38/476862738.db2.gz BWVNKXMPXMHGEO-SJORKVTESA-N 1 3 328.460 2.949 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000430570503 476863077 /nfs/dbraw/zinc/86/30/77/476863077.db2.gz KLHYNGPNFGIIOM-RTBURBONSA-N 1 3 331.504 2.876 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000422957551 476865888 /nfs/dbraw/zinc/86/58/88/476865888.db2.gz NJWXHKZEOOEQEB-ICSRJNTNSA-N 1 3 345.531 2.570 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398126945 476867736 /nfs/dbraw/zinc/86/77/36/476867736.db2.gz IHFQUABOJOEDQG-ZIFCJYIRSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430581081 476868450 /nfs/dbraw/zinc/86/84/50/476868450.db2.gz NOZHMMSPFLMBSC-VXGBXAGGSA-N 1 3 327.831 2.867 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000398137385 476868702 /nfs/dbraw/zinc/86/87/02/476868702.db2.gz LHHXVUGHUSWHOB-GTAWCEEGSA-N 1 3 343.515 2.921 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398102368 476868759 /nfs/dbraw/zinc/86/87/59/476868759.db2.gz ZQEUSGZESRZMCN-KBAYOESNSA-N 1 3 331.504 2.790 20 0 EFADHO CCOC(=O)C1([C@H](C)NC2(c3cccc(OC)c3)CC2)CC[NH2+]CC1 ZINC000422961658 476869200 /nfs/dbraw/zinc/86/92/00/476869200.db2.gz ZMWNAJCNFXEJOR-HNNXBMFYSA-N 1 3 346.471 2.595 20 0 EFADHO CC(C)(CO)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422968682 476870170 /nfs/dbraw/zinc/87/01/70/476870170.db2.gz RVWJIQQDVHJNOX-MTQWCTHYSA-N 1 3 346.515 2.535 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422967314 476870481 /nfs/dbraw/zinc/87/04/81/476870481.db2.gz SOWHDWMWCRRULN-HZEGPAAWSA-N 1 3 345.531 2.522 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCNc1cccc(Br)c1 ZINC000422965230 476870650 /nfs/dbraw/zinc/87/06/50/476870650.db2.gz OAWNJSZSLBMIOV-IUODEOHRSA-N 1 3 326.282 2.839 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCNc1cccc(Br)c1 ZINC000422965231 476870997 /nfs/dbraw/zinc/87/09/97/476870997.db2.gz OAWNJSZSLBMIOV-SWLSCSKDSA-N 1 3 326.282 2.839 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000414086913 476871328 /nfs/dbraw/zinc/87/13/28/476871328.db2.gz HOUJNUFBUCMTDA-ZWKOTPCHSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422971302 476873226 /nfs/dbraw/zinc/87/32/26/476873226.db2.gz YCLGECPTAGJJDQ-OXQOHEQNSA-N 1 3 332.488 2.860 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000422973099 476873905 /nfs/dbraw/zinc/87/39/05/476873905.db2.gz BGMKIPNJGXBNHI-WMLDXEAASA-N 1 3 338.455 2.584 20 0 EFADHO CCc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414189925 476874857 /nfs/dbraw/zinc/87/48/57/476874857.db2.gz JZMOJPJVVIFFJO-GOSISDBHSA-N 1 3 345.531 2.696 20 0 EFADHO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204012 476875728 /nfs/dbraw/zinc/87/57/28/476875728.db2.gz VYBPVOAHLVIXPC-GUDVDZBRSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1cc(C)n(-c2ccc(CN3CCC(OCCC[NH3+])CC3)cc2)n1 ZINC000430599387 476876066 /nfs/dbraw/zinc/87/60/66/476876066.db2.gz PZVAAZZJBQJVPB-UHFFFAOYSA-N 1 3 342.487 2.819 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000457104804 476876551 /nfs/dbraw/zinc/87/65/51/476876551.db2.gz BWAPUOOSEQXGAN-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000457104804 476876560 /nfs/dbraw/zinc/87/65/60/476876560.db2.gz BWAPUOOSEQXGAN-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007593 476878966 /nfs/dbraw/zinc/87/89/66/476878966.db2.gz ZWQXTZSMEAOBHC-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007593 476878971 /nfs/dbraw/zinc/87/89/71/476878971.db2.gz ZWQXTZSMEAOBHC-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007593 476878976 /nfs/dbraw/zinc/87/89/76/476878976.db2.gz ZWQXTZSMEAOBHC-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422984861 476879330 /nfs/dbraw/zinc/87/93/30/476879330.db2.gz ZLKSGSPTFFYRQI-JXFKEZNVSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422984862 476879927 /nfs/dbraw/zinc/87/99/27/476879927.db2.gz ZLKSGSPTFFYRQI-OXJNMPFZSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128301 476880737 /nfs/dbraw/zinc/88/07/37/476880737.db2.gz LSNUYAVQSFEGDW-BFZKSOEOSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128301 476880744 /nfs/dbraw/zinc/88/07/44/476880744.db2.gz LSNUYAVQSFEGDW-BFZKSOEOSA-N 1 3 337.508 2.989 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H](C)[NH3+] ZINC000399744922 476884827 /nfs/dbraw/zinc/88/48/27/476884827.db2.gz MPOQPRQPSPIYGO-JFRXWTBNSA-N 1 3 331.504 2.775 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000414680111 476886997 /nfs/dbraw/zinc/88/69/97/476886997.db2.gz SPOVKFUKJYCTTA-UZLBHIALSA-N 1 3 341.499 2.726 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000414680111 476887000 /nfs/dbraw/zinc/88/70/00/476887000.db2.gz SPOVKFUKJYCTTA-UZLBHIALSA-N 1 3 341.499 2.726 20 0 EFADHO CN1CCC2(CCCN2C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446570737 476887955 /nfs/dbraw/zinc/88/79/55/476887955.db2.gz DRCGOCNDQUKJDW-UHFFFAOYSA-N 1 3 344.503 2.883 20 0 EFADHO C[C@@H]1CN(CCC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000414701546 476888030 /nfs/dbraw/zinc/88/80/30/476888030.db2.gz HQMZNOVAHBFJAH-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423010547 476888889 /nfs/dbraw/zinc/88/88/89/476888889.db2.gz GVOLWEQUMVBJPS-MJBXVCDLSA-N 1 3 343.393 2.990 20 0 EFADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1c1ccccc1 ZINC000414704939 476889465 /nfs/dbraw/zinc/88/94/65/476889465.db2.gz KDHBPZUORYRWLC-NSHGMRRFSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@@H]1c1ccccc1 ZINC000414704939 476889469 /nfs/dbraw/zinc/88/94/69/476889469.db2.gz KDHBPZUORYRWLC-NSHGMRRFSA-N 1 3 343.515 2.699 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414778554 476892030 /nfs/dbraw/zinc/89/20/30/476892030.db2.gz JBLFHSRUSCJNDL-SFHVURJKSA-N 1 3 340.471 2.572 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](CC)c2c(C)noc2C)CC[NH2+]CC1 ZINC000423018781 476892476 /nfs/dbraw/zinc/89/24/76/476892476.db2.gz ZSOXIPFRYQHNCA-LSDHHAIUSA-N 1 3 337.464 2.654 20 0 EFADHO CN1CCC(CC(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000366176508 476893327 /nfs/dbraw/zinc/89/33/27/476893327.db2.gz MFXUPDZLJBVCPJ-OAQYLSRUSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(CC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000366176508 476893334 /nfs/dbraw/zinc/89/33/34/476893334.db2.gz MFXUPDZLJBVCPJ-OAQYLSRUSA-N 1 3 343.515 2.747 20 0 EFADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423017557 476893383 /nfs/dbraw/zinc/89/33/83/476893383.db2.gz WNLMVZIRZSOKCX-RNIPGJKVSA-N 1 3 347.478 2.541 20 0 EFADHO C[C@@H](NCCCOc1ncc(C(F)(F)F)cc1Cl)C1C[NH2+]C1 ZINC000423018357 476893521 /nfs/dbraw/zinc/89/35/21/476893521.db2.gz YRAOTROIYIPTTB-SECBINFHSA-N 1 3 337.773 2.720 20 0 EFADHO C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)C1CNC1 ZINC000423018357 476893528 /nfs/dbraw/zinc/89/35/28/476893528.db2.gz YRAOTROIYIPTTB-SECBINFHSA-N 1 3 337.773 2.720 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029050 476896276 /nfs/dbraw/zinc/89/62/76/476896276.db2.gz HMVGBZXCKNSHQT-XJKSGUPXSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029050 476896281 /nfs/dbraw/zinc/89/62/81/476896281.db2.gz HMVGBZXCKNSHQT-XJKSGUPXSA-N 1 3 332.423 2.786 20 0 EFADHO CN1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031292 476899004 /nfs/dbraw/zinc/89/90/04/476899004.db2.gz WZKPZYHLHQUKRP-ZFVVBOAOSA-N 1 3 325.859 2.941 20 0 EFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031292 476899010 /nfs/dbraw/zinc/89/90/10/476899010.db2.gz WZKPZYHLHQUKRP-ZFVVBOAOSA-N 1 3 325.859 2.941 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H](CCO)c1ccccc1Br ZINC000423032384 476899363 /nfs/dbraw/zinc/89/93/63/476899363.db2.gz MIOFCQDLYIOLJR-IUODEOHRSA-N 1 3 329.282 2.980 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000370624480 476901956 /nfs/dbraw/zinc/90/19/56/476901956.db2.gz LRIZRXAJGPCQQH-CTNGQTDRSA-N 1 3 327.516 2.766 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423040760 476902094 /nfs/dbraw/zinc/90/20/94/476902094.db2.gz VCNGMWUPBDQIMC-NZSAHSFTSA-N 1 3 344.499 2.864 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423046550 476904026 /nfs/dbraw/zinc/90/40/26/476904026.db2.gz DUJQPABUNFLESW-JSGCOSHPSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423046550 476904035 /nfs/dbraw/zinc/90/40/35/476904035.db2.gz DUJQPABUNFLESW-JSGCOSHPSA-N 1 3 331.382 2.543 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC(=O)C23CCCN2CCC3)[C@H]1c1ccccc1 ZINC000375587951 476904073 /nfs/dbraw/zinc/90/40/73/476904073.db2.gz NVSVCAMHCCIREY-RTBURBONSA-N 1 3 341.499 2.814 20 0 EFADHO C[N@H+]1CCC[C@H](CNC(=O)C23CCCN2CCC3)[C@H]1c1ccccc1 ZINC000375587951 476904083 /nfs/dbraw/zinc/90/40/83/476904083.db2.gz NVSVCAMHCCIREY-RTBURBONSA-N 1 3 341.499 2.814 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890558 476905476 /nfs/dbraw/zinc/90/54/76/476905476.db2.gz SEJQIIGIQUCOBE-OALUTQOASA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890558 476905485 /nfs/dbraw/zinc/90/54/85/476905485.db2.gz SEJQIIGIQUCOBE-OALUTQOASA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890558 476905495 /nfs/dbraw/zinc/90/54/95/476905495.db2.gz SEJQIIGIQUCOBE-OALUTQOASA-N 1 3 345.487 2.717 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423047130 476905711 /nfs/dbraw/zinc/90/57/11/476905711.db2.gz UXEGNYGOESQSCS-IINYFYTJSA-N 1 3 330.259 2.816 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)cc1 ZINC000370636530 476906783 /nfs/dbraw/zinc/90/67/83/476906783.db2.gz RPVOZXMUDKYCDE-YLJYHZDGSA-N 1 3 331.504 2.904 20 0 EFADHO [NH3+][C@H]1CCCCC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423054751 476908366 /nfs/dbraw/zinc/90/83/66/476908366.db2.gz UYLCJDAUGCTIOU-KBPBESRZSA-N 1 3 331.382 2.815 20 0 EFADHO Cc1ccc(Br)cc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423059463 476910488 /nfs/dbraw/zinc/91/04/88/476910488.db2.gz LTUGPPXDPCVWLX-TUKIKUTGSA-N 1 3 327.266 2.599 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065087 476911258 /nfs/dbraw/zinc/91/12/58/476911258.db2.gz SRVTZFGKTHUWLB-LBPRGKRZSA-N 1 3 344.425 2.774 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(OCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000430759638 476913547 /nfs/dbraw/zinc/91/35/47/476913547.db2.gz YTJJZKYPZYRWRT-OAHLLOKOSA-N 1 3 333.476 2.591 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000430758578 476914176 /nfs/dbraw/zinc/91/41/76/476914176.db2.gz CRPSAYFDRNJPGM-RTBURBONSA-N 1 3 343.515 2.718 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000430758997 476914187 /nfs/dbraw/zinc/91/41/87/476914187.db2.gz WHDMDWRGFJCBHB-ZWKOTPCHSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423070823 476914903 /nfs/dbraw/zinc/91/49/03/476914903.db2.gz DOLBFIROEYCESO-PSMQTCRGSA-N 1 3 342.458 2.840 20 0 EFADHO [NH3+]C1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423069825 476915438 /nfs/dbraw/zinc/91/54/38/476915438.db2.gz MIUFACBTDXHFNW-ORHYLEIMSA-N 1 3 342.270 2.958 20 0 EFADHO O[C@@H]1CCC[C@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000423075306 476916453 /nfs/dbraw/zinc/91/64/53/476916453.db2.gz OFNIAEAFLXJHIT-LMWLFIIJSA-N 1 3 332.463 2.772 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074405 476917207 /nfs/dbraw/zinc/91/72/07/476917207.db2.gz LOKGWQRCARMDMH-MAZHCROVSA-N 1 3 330.394 2.505 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CC34CCCCC4)CC2)CC1 ZINC000366241566 476919417 /nfs/dbraw/zinc/91/94/17/476919417.db2.gz YYXMKOMSNJPGBR-GOSISDBHSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000430802842 476919815 /nfs/dbraw/zinc/91/98/15/476919815.db2.gz OPCXOQGARVWRSX-VDZJLULYSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000430802842 476919824 /nfs/dbraw/zinc/91/98/24/476919824.db2.gz OPCXOQGARVWRSX-VDZJLULYSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080300 476919900 /nfs/dbraw/zinc/91/99/00/476919900.db2.gz ZLXLVYYTHYYPDC-NMLACTOBSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080300 476919907 /nfs/dbraw/zinc/91/99/07/476919907.db2.gz ZLXLVYYTHYYPDC-NMLACTOBSA-N 1 3 334.479 2.877 20 0 EFADHO CC(C)[C@H](COCc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000446820130 476924019 /nfs/dbraw/zinc/92/40/19/476924019.db2.gz YNYHLWIOLFTAQY-NRFANRHFSA-N 1 3 347.547 2.845 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000405235766 476924228 /nfs/dbraw/zinc/92/42/28/476924228.db2.gz YILYHQMTDVBDIB-CEXWTWQISA-N 1 3 329.488 2.532 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000430842829 476925859 /nfs/dbraw/zinc/92/58/59/476925859.db2.gz VWNWYIRISSWYFP-IPMKNSEASA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423100080 476927388 /nfs/dbraw/zinc/92/73/88/476927388.db2.gz BJXJLMWVMZJWSN-HZPDHXFCSA-N 1 3 343.471 2.573 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000423100000 476927464 /nfs/dbraw/zinc/92/74/64/476927464.db2.gz GCPPWIVPGGHSKE-YZGWKJHDSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405335997 476927669 /nfs/dbraw/zinc/92/76/69/476927669.db2.gz JQHUUZXZSFCXKF-YTQUADARSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430866340 476928434 /nfs/dbraw/zinc/92/84/34/476928434.db2.gz GTIAYQSJPHOHLS-KRWDZBQOSA-N 1 3 346.475 2.567 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366258941 476928540 /nfs/dbraw/zinc/92/85/40/476928540.db2.gz KZGYATHIKZAYNJ-RDBSUJKOSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366258941 476928544 /nfs/dbraw/zinc/92/85/44/476928544.db2.gz KZGYATHIKZAYNJ-RDBSUJKOSA-N 1 3 336.867 2.669 20 0 EFADHO CC[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423105083 476929465 /nfs/dbraw/zinc/92/94/65/476929465.db2.gz NBMKRHCWKDVCQD-PMACEKPBSA-N 1 3 331.504 2.780 20 0 EFADHO CC[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423105084 476930110 /nfs/dbraw/zinc/93/01/10/476930110.db2.gz NBMKRHCWKDVCQD-UXHICEINSA-N 1 3 331.504 2.780 20 0 EFADHO CN1CCC(Oc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000423111557 476930638 /nfs/dbraw/zinc/93/06/38/476930638.db2.gz WHOJPKMAGJORNB-JWTNVVGKSA-N 1 3 329.488 2.532 20 0 EFADHO FC(F)O[C@@H]1CCC[C@H]1N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423115067 476933044 /nfs/dbraw/zinc/93/30/44/476933044.db2.gz MQWNOJHRRCESQT-SZXPJGKVSA-N 1 3 338.398 2.992 20 0 EFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000423118426 476934940 /nfs/dbraw/zinc/93/49/40/476934940.db2.gz AMZSTWGNPXYCPR-ZXNZYJFHSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415570458 476939519 /nfs/dbraw/zinc/93/95/19/476939519.db2.gz MBEFKAYOSVGGAJ-QZTJIDSGSA-N 1 3 344.503 2.644 20 0 EFADHO CCN(C(=O)CN1CCC(C[NH2+]C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000430931679 476939828 /nfs/dbraw/zinc/93/98/28/476939828.db2.gz CAPWJEFWBPOPNB-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370704332 476942803 /nfs/dbraw/zinc/94/28/03/476942803.db2.gz YHZQGIFMAQRSEZ-UWJYYQICSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370704332 476942808 /nfs/dbraw/zinc/94/28/08/476942808.db2.gz YHZQGIFMAQRSEZ-UWJYYQICSA-N 1 3 338.499 2.693 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H](C)C[C@@H](C)[NH3+] ZINC000423153277 476945501 /nfs/dbraw/zinc/94/55/01/476945501.db2.gz HIPHMBYTKORWAT-BZPMIXESSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@@H](C)N ZINC000423153277 476945511 /nfs/dbraw/zinc/94/55/11/476945511.db2.gz HIPHMBYTKORWAT-BZPMIXESSA-N 1 3 343.309 2.624 20 0 EFADHO COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)c(OC(F)F)c1 ZINC000430944535 476945667 /nfs/dbraw/zinc/94/56/67/476945667.db2.gz UEDYBVDRWYYFPJ-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC/C=C/c1ccc(Br)cc1 ZINC000423163234 476950602 /nfs/dbraw/zinc/95/06/02/476950602.db2.gz VJQSQRRFSKUYHE-RRHMHJCHSA-N 1 3 339.277 2.804 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000430965968 476952983 /nfs/dbraw/zinc/95/29/83/476952983.db2.gz MYWGVJJSNDTCSA-HNAYVOBHSA-N 1 3 329.488 2.582 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)NCCN2CCCCC2)CC1 ZINC000430985338 476957277 /nfs/dbraw/zinc/95/72/77/476957277.db2.gz USQUXSRFQBDVOZ-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CN1CC[C@@H]([NH2+]CCCNCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000423185969 476957708 /nfs/dbraw/zinc/95/77/08/476957708.db2.gz KIKRPELBUDYYFM-NHCUHLMSSA-N 1 3 338.499 2.986 20 0 EFADHO Cc1ccc(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000447136787 476957935 /nfs/dbraw/zinc/95/79/35/476957935.db2.gz DQEBKYURDWRKSG-UHFFFAOYSA-N 1 3 330.476 2.526 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(N)CCCC3)cc2)C1 ZINC000431018973 476962463 /nfs/dbraw/zinc/96/24/63/476962463.db2.gz ZEIAPZOOAACASS-HNNXBMFYSA-N 1 3 331.460 2.617 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(N)CCCC3)cc2)C1 ZINC000431018973 476962470 /nfs/dbraw/zinc/96/24/70/476962470.db2.gz ZEIAPZOOAACASS-HNNXBMFYSA-N 1 3 331.460 2.617 20 0 EFADHO C[C@H]([NH3+])CC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000431035347 476965596 /nfs/dbraw/zinc/96/55/96/476965596.db2.gz DGSQVOLUPVJAJC-SFHVURJKSA-N 1 3 339.483 2.885 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000415907067 476966867 /nfs/dbraw/zinc/96/68/67/476966867.db2.gz ZOELXHYCSXVEJK-GOSISDBHSA-N 1 3 326.444 2.830 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431057729 476968873 /nfs/dbraw/zinc/96/88/73/476968873.db2.gz PCWGNDBJDFDNQP-JFIYKMOQSA-N 1 3 331.504 2.602 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415927083 476972672 /nfs/dbraw/zinc/97/26/72/476972672.db2.gz FFPBQIHLZFBDCH-IBGZPJMESA-N 1 3 338.455 2.802 20 0 EFADHO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763826 476973237 /nfs/dbraw/zinc/97/32/37/476973237.db2.gz PQMLPNALPRBVOC-ZVDOUQERSA-N 1 3 341.499 2.629 20 0 EFADHO CC(C)([NH3+])CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763693 476973334 /nfs/dbraw/zinc/97/33/34/476973334.db2.gz NYABUNWQETXOHO-FQEVSTJZSA-N 1 3 329.488 2.629 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763435 476973764 /nfs/dbraw/zinc/97/37/64/476973764.db2.gz KRHBDRWMKMZFBH-TZIWHRDSSA-N 1 3 341.499 2.643 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763433 476973842 /nfs/dbraw/zinc/97/38/42/476973842.db2.gz KRHBDRWMKMZFBH-FPOVZHCZSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H](CCc1ccc(I)cc1)NCC(C)(C)[NH3+] ZINC000423282233 476981634 /nfs/dbraw/zinc/98/16/34/476981634.db2.gz CNNPLWDCTQKLED-LLVKDONJSA-N 1 3 346.256 2.939 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000375743336 476982600 /nfs/dbraw/zinc/98/26/00/476982600.db2.gz OCOBSGMIEXWJGL-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000375743336 476982607 /nfs/dbraw/zinc/98/26/07/476982607.db2.gz OCOBSGMIEXWJGL-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000423296840 476984784 /nfs/dbraw/zinc/98/47/84/476984784.db2.gz HQMQWXUDUYAHDG-ZYSHUDEJSA-N 1 3 347.503 2.568 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000423296837 476985439 /nfs/dbraw/zinc/98/54/39/476985439.db2.gz HQMQWXUDUYAHDG-AYOQOUSVSA-N 1 3 347.503 2.568 20 0 EFADHO C[C@H](C[NH3+])CN[C@@H](C)c1ccc(F)c(I)c1 ZINC000423307871 476988193 /nfs/dbraw/zinc/98/81/93/476988193.db2.gz NVNRQHDBYZXAFY-BDAKNGLRSA-N 1 3 336.192 2.676 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000423313199 476990761 /nfs/dbraw/zinc/99/07/61/476990761.db2.gz WJKUIWVTZLRCOU-KXBFYZLASA-N 1 3 325.456 2.609 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000423320137 476991352 /nfs/dbraw/zinc/99/13/52/476991352.db2.gz FFZJTRJVGQBKND-INIZCTEOSA-N 1 3 337.467 2.885 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000423320138 476991707 /nfs/dbraw/zinc/99/17/07/476991707.db2.gz FFZJTRJVGQBKND-MRXNPFEDSA-N 1 3 337.467 2.885 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423317367 476991902 /nfs/dbraw/zinc/99/19/02/476991902.db2.gz ATTZBUOJOBXSBP-LPHOPBHVSA-N 1 3 331.504 2.695 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423317368 476992098 /nfs/dbraw/zinc/99/20/98/476992098.db2.gz ATTZBUOJOBXSBP-QFBILLFUSA-N 1 3 331.504 2.695 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000423316495 476992649 /nfs/dbraw/zinc/99/26/49/476992649.db2.gz ACBQGJDSHGLSDT-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423322243 476994508 /nfs/dbraw/zinc/99/45/08/476994508.db2.gz GHLKDDVJPKJVTQ-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000423322243 476994512 /nfs/dbraw/zinc/99/45/12/476994512.db2.gz GHLKDDVJPKJVTQ-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423339974 476999560 /nfs/dbraw/zinc/99/95/60/476999560.db2.gz XFBXBDVLJXBLAN-QINHECLXSA-N 1 3 343.515 2.908 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423336255 476999574 /nfs/dbraw/zinc/99/95/74/476999574.db2.gz UJLALHRICDQGBN-VDGAXYAQSA-N 1 3 345.531 2.805 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423339972 476999817 /nfs/dbraw/zinc/99/98/17/476999817.db2.gz XFBXBDVLJXBLAN-GQIGUUNPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423339972 476999824 /nfs/dbraw/zinc/99/98/24/476999824.db2.gz XFBXBDVLJXBLAN-GQIGUUNPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000423346013 477001028 /nfs/dbraw/zinc/00/10/28/477001028.db2.gz YGBLKTFIWATSIH-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000423364045 477006047 /nfs/dbraw/zinc/00/60/47/477006047.db2.gz JHFXSSDOODXNKV-LPHOPBHVSA-N 1 3 335.442 2.627 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423375776 477009770 /nfs/dbraw/zinc/00/97/70/477009770.db2.gz XXRYRKXDIZFICH-BPQIPLTHSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000423374306 477010209 /nfs/dbraw/zinc/01/02/09/477010209.db2.gz IGRKWOLGLFTRIN-ZDUSSCGKSA-N 1 3 345.468 2.512 20 0 EFADHO Cc1ccc(C)c([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423375188 477010665 /nfs/dbraw/zinc/01/06/65/477010665.db2.gz CXVSJWFXTYKJTO-GOEBONIOSA-N 1 3 329.410 2.790 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423384757 477012528 /nfs/dbraw/zinc/01/25/28/477012528.db2.gz HYXFNQJFLTWWMU-WQVCFCJDSA-N 1 3 327.394 2.661 20 0 EFADHO Cc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000423388488 477013867 /nfs/dbraw/zinc/01/38/67/477013867.db2.gz MUGTZPKTBIGCDT-GOEBONIOSA-N 1 3 329.410 2.790 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423392554 477014280 /nfs/dbraw/zinc/01/42/80/477014280.db2.gz OKPAPIQVFZDVGJ-ATZDWAIDSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000423392554 477014286 /nfs/dbraw/zinc/01/42/86/477014286.db2.gz OKPAPIQVFZDVGJ-ATZDWAIDSA-N 1 3 329.488 2.625 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000457430903 477015901 /nfs/dbraw/zinc/01/59/01/477015901.db2.gz ZXPCMTMAEMOJLX-KRWDZBQOSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423394268 477016390 /nfs/dbraw/zinc/01/63/90/477016390.db2.gz RXFITPOYFDYZLW-SMDDNHRTSA-N 1 3 335.801 2.827 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423398654 477018072 /nfs/dbraw/zinc/01/80/72/477018072.db2.gz UACRZMZOWIZPQV-AEFFLSMTSA-N 1 3 329.488 2.627 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCCc2sccc21)N1CC[NH2+]CC1 ZINC000423400899 477019603 /nfs/dbraw/zinc/01/96/03/477019603.db2.gz XIYHKCUSLANXBJ-JSGCOSHPSA-N 1 3 333.423 2.551 20 0 EFADHO COC[C@@H](NCC1(COC)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423405480 477020594 /nfs/dbraw/zinc/02/05/94/477020594.db2.gz JIQUCYYPNMOSKC-MRXNPFEDSA-N 1 3 326.868 2.633 20 0 EFADHO COCC1(CN[C@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000423404523 477021369 /nfs/dbraw/zinc/02/13/69/477021369.db2.gz IVDBJSBYJAPNNR-LJQANCHMSA-N 1 3 325.456 2.777 20 0 EFADHO CCc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403687 477021910 /nfs/dbraw/zinc/02/19/10/477021910.db2.gz ZIDYQEHEBPJHKZ-XJKSGUPXSA-N 1 3 329.410 2.736 20 0 EFADHO COCC1(CN[C@@H](C)c2cc(OC)c(OC)cc2F)CC[NH2+]CC1 ZINC000423409464 477022704 /nfs/dbraw/zinc/02/27/04/477022704.db2.gz QDKBYIAAKZZYCL-ZDUSSCGKSA-N 1 3 340.439 2.510 20 0 EFADHO COCC1(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]CC1 ZINC000423411616 477023421 /nfs/dbraw/zinc/02/34/21/477023421.db2.gz UYJGVODMIWHIDV-IBGZPJMESA-N 1 3 343.446 2.916 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)C2CCC2)CCCC1)c1ccccc1 ZINC000423411190 477023769 /nfs/dbraw/zinc/02/37/69/477023769.db2.gz TULKAYQQUSMOMX-YJBOKZPZSA-N 1 3 329.488 2.894 20 0 EFADHO COC[C@]1(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCN1 ZINC000423419354 477028007 /nfs/dbraw/zinc/02/80/07/477028007.db2.gz VXUWJLLDHAHIAJ-NLWGTHIKSA-N 1 3 332.488 2.729 20 0 EFADHO Cc1c([C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000423427478 477030390 /nfs/dbraw/zinc/03/03/90/477030390.db2.gz QOYRYJGUCVXDBW-DJIMGWMZSA-N 1 3 327.476 2.991 20 0 EFADHO Cc1c([C@H](C)NC[C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423468762 477041647 /nfs/dbraw/zinc/04/16/47/477041647.db2.gz UUOQXNXVDLUTTQ-DUVNUKRYSA-N 1 3 331.439 2.883 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CNCCCO2)cc1F ZINC000423497736 477049684 /nfs/dbraw/zinc/04/96/84/477049684.db2.gz ZGDIYJQJGRPSRV-SOLBZPMBSA-N 1 3 336.451 2.829 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@H]2NC[C@H]2C[NH2+]CCCO2)cc1F ZINC000423497736 477049687 /nfs/dbraw/zinc/04/96/87/477049687.db2.gz ZGDIYJQJGRPSRV-SOLBZPMBSA-N 1 3 336.451 2.829 20 0 EFADHO C/C=C\COc1ccc(CC[C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423515466 477056162 /nfs/dbraw/zinc/05/61/62/477056162.db2.gz NHOFSSSISAXRQN-PPEMJRFFSA-N 1 3 332.488 2.931 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000416176141 477056515 /nfs/dbraw/zinc/05/65/15/477056515.db2.gz FSJJYZAOGWITCF-PMACEKPBSA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000416188397 477062437 /nfs/dbraw/zinc/06/24/37/477062437.db2.gz IJAZJSHEEWFUAY-SFHVURJKSA-N 1 3 329.488 2.766 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000416188397 477062444 /nfs/dbraw/zinc/06/24/44/477062444.db2.gz IJAZJSHEEWFUAY-SFHVURJKSA-N 1 3 329.488 2.766 20 0 EFADHO NC1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423531563 477065620 /nfs/dbraw/zinc/06/56/20/477065620.db2.gz SUMCUYFDPRFFQV-CYNAHEBQSA-N 1 3 332.410 2.840 20 0 EFADHO CCN1CCC(NC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000431643743 477067320 /nfs/dbraw/zinc/06/73/20/477067320.db2.gz PGVJOCQCCHWHCF-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)s1 ZINC000423541415 477068075 /nfs/dbraw/zinc/06/80/75/477068075.db2.gz KXMMQMWOPXSKKX-ZRUFSTJUSA-N 1 3 330.295 2.944 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)s1 ZINC000423541413 477069047 /nfs/dbraw/zinc/06/90/47/477069047.db2.gz KXMMQMWOPXSKKX-UKKRHICBSA-N 1 3 330.295 2.944 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423548790 477070568 /nfs/dbraw/zinc/07/05/68/477070568.db2.gz DXOMTVRRZZASQF-VQTJNVASSA-N 1 3 345.531 2.775 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838388 477072875 /nfs/dbraw/zinc/07/28/75/477072875.db2.gz AHLBAQMRXLXVMK-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838388 477072881 /nfs/dbraw/zinc/07/28/81/477072881.db2.gz AHLBAQMRXLXVMK-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@H](CN1CCCC[C@H]1C[C@H](C)O)C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000447838388 477072887 /nfs/dbraw/zinc/07/28/87/477072887.db2.gz AHLBAQMRXLXVMK-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@H](CN1CCCC[C@H]1C[C@H](C)O)C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000447838388 477072894 /nfs/dbraw/zinc/07/28/94/477072894.db2.gz AHLBAQMRXLXVMK-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000416216355 477074782 /nfs/dbraw/zinc/07/47/82/477074782.db2.gz ARMFOFJCAAHMSS-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CSC1(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN(C)CC1 ZINC000416232348 477082532 /nfs/dbraw/zinc/08/25/32/477082532.db2.gz FJBBSKACOGCYLR-QGZVFWFLSA-N 1 3 349.544 2.623 20 0 EFADHO C[C@@H]1OCC[C@]1(O)C[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000447925124 477091482 /nfs/dbraw/zinc/09/14/82/477091482.db2.gz IFZQDLOBPBBRMS-IHPCNDPISA-N 1 3 332.488 2.513 20 0 EFADHO C[C@@H]1OCC[C@]1(O)C[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000447925124 477091486 /nfs/dbraw/zinc/09/14/86/477091486.db2.gz IFZQDLOBPBBRMS-IHPCNDPISA-N 1 3 332.488 2.513 20 0 EFADHO NCc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000423630396 477093269 /nfs/dbraw/zinc/09/32/69/477093269.db2.gz YRYLINUAYJLLEZ-UHFFFAOYSA-N 1 3 341.377 2.977 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431777480 477094249 /nfs/dbraw/zinc/09/42/49/477094249.db2.gz BKBGKUSQSXTACY-HKUYNNGSSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431777480 477094252 /nfs/dbraw/zinc/09/42/52/477094252.db2.gz BKBGKUSQSXTACY-HKUYNNGSSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)N1CCC(C)CC1 ZINC000431777611 477094521 /nfs/dbraw/zinc/09/45/21/477094521.db2.gz ZMQWRZFPNNZXPW-PKOBYXMFSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000431803401 477097959 /nfs/dbraw/zinc/09/79/59/477097959.db2.gz XWQPSVVORAKAKT-IEBWSBKVSA-N 1 3 329.488 2.624 20 0 EFADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000431802471 477098603 /nfs/dbraw/zinc/09/86/03/477098603.db2.gz XFPQIPITZGDWQV-FGTMMUONSA-N 1 3 338.540 2.671 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000447963682 477104549 /nfs/dbraw/zinc/10/45/49/477104549.db2.gz DNVPSDCLGHHTBB-SFHVURJKSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCC(C)CC1 ZINC000447962495 477104910 /nfs/dbraw/zinc/10/49/10/477104910.db2.gz HRIHCIFLDGZDOH-DLBZAZTESA-N 1 3 338.540 2.526 20 0 EFADHO CN(CCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)Cc1ccccc1 ZINC000447969274 477106217 /nfs/dbraw/zinc/10/62/17/477106217.db2.gz VPVQMMNYKIRDOZ-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CN(CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)Cc1ccccc1 ZINC000447969274 477106220 /nfs/dbraw/zinc/10/62/20/477106220.db2.gz VPVQMMNYKIRDOZ-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000431854895 477109646 /nfs/dbraw/zinc/10/96/46/477109646.db2.gz QGXQJVSVGDBKKE-GBESFXJTSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000431854895 477109653 /nfs/dbraw/zinc/10/96/53/477109653.db2.gz QGXQJVSVGDBKKE-GBESFXJTSA-N 1 3 329.488 2.622 20 0 EFADHO CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431879629 477114118 /nfs/dbraw/zinc/11/41/18/477114118.db2.gz VTPCHBFIOSRBIU-FUHWJXTLSA-N 1 3 338.540 2.671 20 0 EFADHO CCN(CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH+](CC)CC)C1CC1 ZINC000431951473 477127443 /nfs/dbraw/zinc/12/74/43/477127443.db2.gz CJBWMVROXNSOLA-FUHWJXTLSA-N 1 3 338.540 2.671 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423737033 477127892 /nfs/dbraw/zinc/12/78/92/477127892.db2.gz CLRGHAIGVQIGOL-FQEVSTJZSA-N 1 3 343.515 2.543 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423741683 477129097 /nfs/dbraw/zinc/12/90/97/477129097.db2.gz HYXQUGXUUVWYLG-DLBZAZTESA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423743176 477130981 /nfs/dbraw/zinc/13/09/81/477130981.db2.gz JSDZVUHRXALSJU-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO [NH3+][C@@H]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000423762528 477137193 /nfs/dbraw/zinc/13/71/93/477137193.db2.gz SOVDLKSSFSJMGZ-SJLPKXTDSA-N 1 3 349.906 2.892 20 0 EFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000423780767 477141940 /nfs/dbraw/zinc/14/19/40/477141940.db2.gz GTEGCKFJUWXOLL-SQGPQFPESA-N 1 3 345.487 2.528 20 0 EFADHO CC(CCN1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000411182602 477143199 /nfs/dbraw/zinc/14/31/99/477143199.db2.gz BPYHJMSLYLSFNX-VNTMZGSJSA-N 1 3 336.520 2.909 20 0 EFADHO CC(CCN1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000411182602 477143203 /nfs/dbraw/zinc/14/32/03/477143203.db2.gz BPYHJMSLYLSFNX-VNTMZGSJSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[C@H](N)c1ccccc1)CC2 ZINC000423787101 477144105 /nfs/dbraw/zinc/14/41/05/477144105.db2.gz WGVLXOHQFPDWBZ-NQYYFHDYSA-N 1 3 329.488 2.796 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[C@H](N)c1ccccc1)CC2 ZINC000423787101 477144115 /nfs/dbraw/zinc/14/41/15/477144115.db2.gz WGVLXOHQFPDWBZ-NQYYFHDYSA-N 1 3 329.488 2.796 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000423792199 477146871 /nfs/dbraw/zinc/14/68/71/477146871.db2.gz VTRZILOQDSRYDH-GOSISDBHSA-N 1 3 329.419 2.877 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453029719 477148158 /nfs/dbraw/zinc/14/81/58/477148158.db2.gz HPMHFWKSWCWHLF-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000453029719 477148165 /nfs/dbraw/zinc/14/81/65/477148165.db2.gz HPMHFWKSWCWHLF-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448253547 477151755 /nfs/dbraw/zinc/15/17/55/477151755.db2.gz XMUMJZGUEMXNPV-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258812 477153364 /nfs/dbraw/zinc/15/33/64/477153364.db2.gz YTQIOMNAVCRLIR-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258812 477153371 /nfs/dbraw/zinc/15/33/71/477153371.db2.gz YTQIOMNAVCRLIR-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258814 477153486 /nfs/dbraw/zinc/15/34/86/477153486.db2.gz YTQIOMNAVCRLIR-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258814 477153495 /nfs/dbraw/zinc/15/34/95/477153495.db2.gz YTQIOMNAVCRLIR-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCCC[C@@H]1C ZINC000457705110 477153690 /nfs/dbraw/zinc/15/36/90/477153690.db2.gz KSENGLBSJZOQBQ-JKSUJKDBSA-N 1 3 326.529 2.669 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453056018 477154194 /nfs/dbraw/zinc/15/41/94/477154194.db2.gz KKWZCYHCELDERA-ZCNNSNEGSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453056018 477154204 /nfs/dbraw/zinc/15/42/04/477154204.db2.gz KKWZCYHCELDERA-ZCNNSNEGSA-N 1 3 343.515 2.791 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453063134 477156399 /nfs/dbraw/zinc/15/63/99/477156399.db2.gz VDGAREZOCMKJJO-ZCNNSNEGSA-N 1 3 341.499 2.545 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000453063134 477156402 /nfs/dbraw/zinc/15/64/02/477156402.db2.gz VDGAREZOCMKJJO-ZCNNSNEGSA-N 1 3 341.499 2.545 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453074595 477160704 /nfs/dbraw/zinc/16/07/04/477160704.db2.gz URZHZYIIOKDHIP-ZCNNSNEGSA-N 1 3 343.515 2.936 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453074595 477160708 /nfs/dbraw/zinc/16/07/08/477160708.db2.gz URZHZYIIOKDHIP-ZCNNSNEGSA-N 1 3 343.515 2.936 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000453089815 477165570 /nfs/dbraw/zinc/16/55/70/477165570.db2.gz PEGLPIHICKPDMU-FQEVSTJZSA-N 1 3 339.487 2.730 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453094513 477165992 /nfs/dbraw/zinc/16/59/92/477165992.db2.gz PVPDTSNLZPJLIZ-IBGZPJMESA-N 1 3 329.488 2.646 20 0 EFADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453092707 477166843 /nfs/dbraw/zinc/16/68/43/477166843.db2.gz NVTJTPVZANKCEQ-PWRODBHTSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453092707 477166854 /nfs/dbraw/zinc/16/68/54/477166854.db2.gz NVTJTPVZANKCEQ-PWRODBHTSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453092707 477166861 /nfs/dbraw/zinc/16/68/61/477166861.db2.gz NVTJTPVZANKCEQ-PWRODBHTSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453092704 477166953 /nfs/dbraw/zinc/16/69/53/477166953.db2.gz NVTJTPVZANKCEQ-HBMCJLEFSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453092704 477166960 /nfs/dbraw/zinc/16/69/60/477166960.db2.gz NVTJTPVZANKCEQ-HBMCJLEFSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453092704 477166966 /nfs/dbraw/zinc/16/69/66/477166966.db2.gz NVTJTPVZANKCEQ-HBMCJLEFSA-N 1 3 345.531 2.597 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000448437656 477175677 /nfs/dbraw/zinc/17/56/77/477175677.db2.gz QCRVLWUKUBBFJA-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000448437656 477175685 /nfs/dbraw/zinc/17/56/85/477175685.db2.gz QCRVLWUKUBBFJA-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453141165 477177802 /nfs/dbraw/zinc/17/78/02/477177802.db2.gz KTBQFCYRBZQIAZ-LUYSREMJSA-N 1 3 326.484 2.956 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453141165 477177807 /nfs/dbraw/zinc/17/78/07/477177807.db2.gz KTBQFCYRBZQIAZ-LUYSREMJSA-N 1 3 326.484 2.956 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H](N)CC(F)F)c2)CC1 ZINC000423857575 477189026 /nfs/dbraw/zinc/18/90/26/477189026.db2.gz YQCRTLOPCMRRJB-MRXNPFEDSA-N 1 3 339.430 2.882 20 0 EFADHO Cc1nccn1CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000371259353 477203481 /nfs/dbraw/zinc/20/34/81/477203481.db2.gz SLPATFDLACKROH-ROUUACIJSA-N 1 3 348.535 2.793 20 0 EFADHO N[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000423893038 477204071 /nfs/dbraw/zinc/20/40/71/477204071.db2.gz COZSFWJDRQLTQP-QXAKKESOSA-N 1 3 327.472 2.552 20 0 EFADHO N[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000423893038 477204080 /nfs/dbraw/zinc/20/40/80/477204080.db2.gz COZSFWJDRQLTQP-QXAKKESOSA-N 1 3 327.472 2.552 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000432407824 477210954 /nfs/dbraw/zinc/21/09/54/477210954.db2.gz PODIAHIIAUBGIG-TZIWHRDSSA-N 1 3 345.531 2.742 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907621 477211981 /nfs/dbraw/zinc/21/19/81/477211981.db2.gz RMGYBELXJZSBHD-UFYCRDLUSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907621 477211984 /nfs/dbraw/zinc/21/19/84/477211984.db2.gz RMGYBELXJZSBHD-UFYCRDLUSA-N 1 3 341.499 2.642 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423910131 477213879 /nfs/dbraw/zinc/21/38/79/477213879.db2.gz UUCMJDVANCOPRO-LEAZDLGRSA-N 1 3 343.515 2.873 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423910131 477213882 /nfs/dbraw/zinc/21/38/82/477213882.db2.gz UUCMJDVANCOPRO-LEAZDLGRSA-N 1 3 343.515 2.873 20 0 EFADHO CCCNC(=O)CCC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411425345 477231526 /nfs/dbraw/zinc/23/15/26/477231526.db2.gz MHBNFORISWFANE-UHFFFAOYSA-N 1 3 332.492 2.536 20 0 EFADHO CCCNC(=O)CCC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000411425345 477231531 /nfs/dbraw/zinc/23/15/31/477231531.db2.gz MHBNFORISWFANE-UHFFFAOYSA-N 1 3 332.492 2.536 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453468394 477234150 /nfs/dbraw/zinc/23/41/50/477234150.db2.gz ZECYVYYXASSFML-FRYIKTPZSA-N 1 3 341.499 2.640 20 0 EFADHO CN(C)Cc1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000423978635 477243188 /nfs/dbraw/zinc/24/31/88/477243188.db2.gz MTUMLCCNZLZXDF-UHFFFAOYSA-N 1 3 344.484 2.924 20 0 EFADHO C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@H]1C[NH3+] ZINC000424003422 477255550 /nfs/dbraw/zinc/25/55/50/477255550.db2.gz RDQOPFPYVCLZCU-KGLIPLIRSA-N 1 3 329.444 2.551 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)[C@H](C)c2ccccc2)CC1 ZINC000411497323 477256537 /nfs/dbraw/zinc/25/65/37/477256537.db2.gz YXSIFNUSHNBDSU-DLBZAZTESA-N 1 3 331.504 2.757 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411513996 477262640 /nfs/dbraw/zinc/26/26/40/477262640.db2.gz QKLMHPOAFUYDGM-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCCC4(CC[NH+](C)CC4)C3)cc12 ZINC000366950817 477272107 /nfs/dbraw/zinc/27/21/07/477272107.db2.gz GXPVCTACMVJWPY-UHFFFAOYSA-N 1 3 327.476 2.585 20 0 EFADHO CCO[C@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411560979 477276613 /nfs/dbraw/zinc/27/66/13/477276613.db2.gz QDARHTRGKPFGHK-PMACEKPBSA-N 1 3 332.488 2.956 20 0 EFADHO CC(C)[C@H](CC(F)(F)F)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411601687 477288956 /nfs/dbraw/zinc/28/89/56/477288956.db2.gz AXAOWDUQNSBSNX-AWEZNQCLSA-N 1 3 337.430 2.542 20 0 EFADHO C[N@H+](Cc1cccc(CN2CCCCC2)c1)CC1(O)CCOCC1 ZINC000411611180 477292950 /nfs/dbraw/zinc/29/29/50/477292950.db2.gz YRVJKZGQHXTGLK-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[N@@H+](Cc1cccc(CN2CCCCC2)c1)CC1(O)CCOCC1 ZINC000411611180 477292956 /nfs/dbraw/zinc/29/29/56/477292956.db2.gz YRVJKZGQHXTGLK-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO CCC[C@@H]1CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448832526 477307492 /nfs/dbraw/zinc/30/74/92/477307492.db2.gz DBHTYRRCDICDGM-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO COCC[C@]1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOC1 ZINC000411647942 477309280 /nfs/dbraw/zinc/30/92/80/477309280.db2.gz ZGJTWXZHPMQWBK-FQEVSTJZSA-N 1 3 332.488 2.958 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000433148682 477310207 /nfs/dbraw/zinc/31/02/07/477310207.db2.gz HEDMAIRAVBMNFK-FPOVZHCZSA-N 1 3 343.515 2.732 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416788520 477311020 /nfs/dbraw/zinc/31/10/20/477311020.db2.gz BPLOQNWHMHDHPJ-QFBILLFUSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000433156047 477312665 /nfs/dbraw/zinc/31/26/65/477312665.db2.gz HSBVMCCBHQPVFV-QRQLOZEOSA-N 1 3 331.504 2.729 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424160785 477313751 /nfs/dbraw/zinc/31/37/51/477313751.db2.gz UUNBCOZBCJUUIV-ILXRZTDVSA-N 1 3 343.393 2.552 20 0 EFADHO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)ccc1OCCN(C)C ZINC000458190587 477314286 /nfs/dbraw/zinc/31/42/86/477314286.db2.gz FTIMLRVTDALWLH-UHFFFAOYSA-N 1 3 347.503 2.994 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000433554712 477325149 /nfs/dbraw/zinc/32/51/49/477325149.db2.gz QJYMMBMKQZVRIN-RYRKJORJSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000433554712 477325154 /nfs/dbraw/zinc/32/51/54/477325154.db2.gz QJYMMBMKQZVRIN-RYRKJORJSA-N 1 3 336.524 2.565 20 0 EFADHO O[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc(CN5CCCCC5)c4)[C@H]1[C@H]3C2 ZINC000411691811 477330354 /nfs/dbraw/zinc/33/03/54/477330354.db2.gz IQIJQBSAPVAFDZ-UQVNRYHBSA-N 1 3 326.484 2.874 20 0 EFADHO O[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cccc(CN5CCCCC5)c4)[C@H]1[C@H]3C2 ZINC000411691811 477330360 /nfs/dbraw/zinc/33/03/60/477330360.db2.gz IQIJQBSAPVAFDZ-UQVNRYHBSA-N 1 3 326.484 2.874 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000416838853 477330541 /nfs/dbraw/zinc/33/05/41/477330541.db2.gz JHBMGMPLJVOICX-MOPGFXCFSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000416838415 477330836 /nfs/dbraw/zinc/33/08/36/477330836.db2.gz JDJDAQMILPAIHZ-NZSAHSFTSA-N 1 3 346.519 2.981 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N(CC)CC)[C@H]1CC[NH2+]C1 ZINC000416838855 477330929 /nfs/dbraw/zinc/33/09/29/477330929.db2.gz JHBMGMPLJVOICX-OALUTQOASA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416837688 477331293 /nfs/dbraw/zinc/33/12/93/477331293.db2.gz IHRHRBVIAQNXDQ-GJZGRUSLSA-N 1 3 338.521 2.702 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000416838431 477331579 /nfs/dbraw/zinc/33/15/79/477331579.db2.gz JFNQFQOYTYVSKF-HKUYNNGSSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217917 477332931 /nfs/dbraw/zinc/33/29/31/477332931.db2.gz PFKNEJXBSFFVQO-HUUJSLGLSA-N 1 3 341.499 2.627 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@@H]1C ZINC000434356836 477333104 /nfs/dbraw/zinc/33/31/04/477333104.db2.gz YYSYZXLDHNIPAM-RYQLBKOJSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@@H]1C ZINC000434356836 477333110 /nfs/dbraw/zinc/33/31/10/477333110.db2.gz YYSYZXLDHNIPAM-RYQLBKOJSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434330711 477333333 /nfs/dbraw/zinc/33/33/33/477333333.db2.gz QSJPGGJWNSKCAQ-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434356921 477333488 /nfs/dbraw/zinc/33/34/88/477333488.db2.gz ZVAZSQIXMLKLOS-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434356921 477333496 /nfs/dbraw/zinc/33/34/96/477333496.db2.gz ZVAZSQIXMLKLOS-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000416848478 477336222 /nfs/dbraw/zinc/33/62/22/477336222.db2.gz WUMSSVAXNZHYMB-SFHVURJKSA-N 1 3 346.519 2.541 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)N[C@H](c1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424288664 477356798 /nfs/dbraw/zinc/35/67/98/477356798.db2.gz KXBDXTVFUBYDRZ-OXJNMPFZSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N[C@H](c1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424288665 477357493 /nfs/dbraw/zinc/35/74/93/477357493.db2.gz KXBDXTVFUBYDRZ-OXQOHEQNSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)Nc1ccc3c(c1)CCC3)CC[NH2+]CC2 ZINC000424293709 477358541 /nfs/dbraw/zinc/35/85/41/477358541.db2.gz PQTSVCNIWVTZKY-HNNXBMFYSA-N 1 3 327.472 2.578 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424295941 477360807 /nfs/dbraw/zinc/36/08/07/477360807.db2.gz RRQFZAYPUWRFLM-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424296747 477360944 /nfs/dbraw/zinc/36/09/44/477360944.db2.gz SHIVQUYABYPCCT-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411770196 477361040 /nfs/dbraw/zinc/36/10/40/477361040.db2.gz LMIAXWZBJGUFDB-SFTDATJTSA-N 1 3 343.515 2.577 20 0 EFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000411773928 477362081 /nfs/dbraw/zinc/36/20/81/477362081.db2.gz UOIBLOFIFJDXRT-SFTDATJTSA-N 1 3 343.515 2.577 20 0 EFADHO CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424298574 477362430 /nfs/dbraw/zinc/36/24/30/477362430.db2.gz DNJJDCACIHJWTR-GUDVDZBRSA-N 1 3 345.487 2.608 20 0 EFADHO CCNC(=O)[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000411788344 477368738 /nfs/dbraw/zinc/36/87/38/477368738.db2.gz NUNMDAVOVMNKBH-IBGZPJMESA-N 1 3 331.504 2.923 20 0 EFADHO COC[C@@]1(CO)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411797016 477371225 /nfs/dbraw/zinc/37/12/25/477371225.db2.gz HKZHUXPFYCASDQ-FQEVSTJZSA-N 1 3 332.488 2.503 20 0 EFADHO COC[C@]1(CO)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411797017 477371356 /nfs/dbraw/zinc/37/13/56/477371356.db2.gz HKZHUXPFYCASDQ-HXUWFJFHSA-N 1 3 332.488 2.503 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000458364267 477372116 /nfs/dbraw/zinc/37/21/16/477372116.db2.gz AFZLFIZRVYWOGC-HKUYNNGSSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000458364267 477372121 /nfs/dbraw/zinc/37/21/21/477372121.db2.gz AFZLFIZRVYWOGC-HKUYNNGSSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370015 477374726 /nfs/dbraw/zinc/37/47/26/477374726.db2.gz FYLGDDZVJVIVBT-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370015 477374732 /nfs/dbraw/zinc/37/47/32/477374732.db2.gz FYLGDDZVJVIVBT-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000367200942 477389834 /nfs/dbraw/zinc/38/98/34/477389834.db2.gz QBJOCIBAEKOLCE-INIZCTEOSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000376553265 477397572 /nfs/dbraw/zinc/39/75/72/477397572.db2.gz MLLMEHFWHQGCBN-ICSRJNTNSA-N 1 3 330.520 2.881 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)CC1 ZINC000376553265 477397579 /nfs/dbraw/zinc/39/75/79/477397579.db2.gz MLLMEHFWHQGCBN-ICSRJNTNSA-N 1 3 330.520 2.881 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCNCC2)cc1 ZINC000416978031 477401880 /nfs/dbraw/zinc/40/18/80/477401880.db2.gz QOJMMKHIRKCLTN-KRWDZBQOSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCNCC2)cc1 ZINC000416978031 477401888 /nfs/dbraw/zinc/40/18/88/477401888.db2.gz QOJMMKHIRKCLTN-KRWDZBQOSA-N 1 3 344.503 2.566 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000424452132 477412036 /nfs/dbraw/zinc/41/20/36/477412036.db2.gz GJPLBECGHQYLEY-QRVBRYPASA-N 1 3 344.503 2.701 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424459836 477414843 /nfs/dbraw/zinc/41/48/43/477414843.db2.gz HOURGRWTQAFHFQ-KFKAGJAMSA-N 1 3 344.503 2.781 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424461582 477416014 /nfs/dbraw/zinc/41/60/14/477416014.db2.gz LFPFYLSXOFWWJS-USXIJHARSA-N 1 3 332.492 2.685 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424461581 477416197 /nfs/dbraw/zinc/41/61/97/477416197.db2.gz LFPFYLSXOFWWJS-DJIMGWMZSA-N 1 3 332.492 2.685 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC[C@@H](C)C1 ZINC000417002596 477417457 /nfs/dbraw/zinc/41/74/57/477417457.db2.gz AOWJRTIQUSVNKB-SJORKVTESA-N 1 3 338.540 2.657 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449069541 477420757 /nfs/dbraw/zinc/42/07/57/477420757.db2.gz XTQUYBAMBQVSNE-HNNXBMFYSA-N 1 3 338.517 2.656 20 0 EFADHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449073330 477422320 /nfs/dbraw/zinc/42/23/20/477422320.db2.gz IDJDGPLIFWFQAQ-CQSZACIVSA-N 1 3 328.435 2.800 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449075238 477423539 /nfs/dbraw/zinc/42/35/39/477423539.db2.gz DLILAYXIIRTXBI-SFHVURJKSA-N 1 3 333.520 2.837 20 0 EFADHO CC[NH+]1CCN(Cc2ccccc2CNCc2ccncc2F)CC1 ZINC000449081159 477427736 /nfs/dbraw/zinc/42/77/36/477427736.db2.gz CFKBDSCMVSCQSN-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CSC[C@H]3C)cc2)CC1 ZINC000449080914 477428232 /nfs/dbraw/zinc/42/82/32/477428232.db2.gz AGSSVAXVEQXOGW-APWZRJJASA-N 1 3 333.545 2.665 20 0 EFADHO CC[C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000417026350 477429900 /nfs/dbraw/zinc/42/99/00/477429900.db2.gz ZATQTGXUPNYBKL-APWZRJJASA-N 1 3 346.519 2.640 20 0 EFADHO C[C@@H](CNC[C@H](C)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449088388 477433006 /nfs/dbraw/zinc/43/30/06/477433006.db2.gz HZMZYLJFOZMIGU-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](C)CN1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449088388 477433010 /nfs/dbraw/zinc/43/30/10/477433010.db2.gz HZMZYLJFOZMIGU-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000449088525 477433604 /nfs/dbraw/zinc/43/36/04/477433604.db2.gz HVQWLAFZASKHPK-SVFBPWRDSA-N 1 3 345.531 2.740 20 0 EFADHO COc1cc(C)ccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000449105114 477440880 /nfs/dbraw/zinc/44/08/80/477440880.db2.gz CIARIHQRNAZBQR-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000371682009 477441125 /nfs/dbraw/zinc/44/11/25/477441125.db2.gz VNWYGEQOAVFYJY-HSALFYBXSA-N 1 3 341.499 2.606 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417050176 477441925 /nfs/dbraw/zinc/44/19/25/477441925.db2.gz WCRPWYGBCKRGKS-ZIFCJYIRSA-N 1 3 346.519 2.744 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417050176 477441931 /nfs/dbraw/zinc/44/19/31/477441931.db2.gz WCRPWYGBCKRGKS-ZIFCJYIRSA-N 1 3 346.519 2.744 20 0 EFADHO Cc1cccc(CC[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)c1 ZINC000449117440 477446166 /nfs/dbraw/zinc/44/61/66/477446166.db2.gz OOTFFLKYTUMCOM-UHFFFAOYSA-N 1 3 339.483 2.619 20 0 EFADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000449117375 477446967 /nfs/dbraw/zinc/44/69/67/477446967.db2.gz OIFAQLCZGWZQOI-GJYPPUQNSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000458515944 477460873 /nfs/dbraw/zinc/46/08/73/477460873.db2.gz SZBPYTWWGPCZNI-SFHVURJKSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)N(C)C ZINC000454997797 477462186 /nfs/dbraw/zinc/46/21/86/477462186.db2.gz VVLZAQWZLWOTOL-INIZCTEOSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1)[NH+](C)C ZINC000454997797 477462194 /nfs/dbraw/zinc/46/21/94/477462194.db2.gz VVLZAQWZLWOTOL-INIZCTEOSA-N 1 3 348.491 2.623 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000449161187 477463849 /nfs/dbraw/zinc/46/38/49/477463849.db2.gz DPMKCXYTHWBPTQ-YJBOKZPZSA-N 1 3 346.519 2.747 20 0 EFADHO COc1cc(CN2CCCC3(CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000367356452 477469356 /nfs/dbraw/zinc/46/93/56/477469356.db2.gz MZBNXBGJYBIAIB-UHFFFAOYSA-N 1 3 334.460 2.717 20 0 EFADHO CN1CCC(Oc2ccc(CNC(=[NH2+])N3CCCCC3)cc2)CC1 ZINC000376714579 477471733 /nfs/dbraw/zinc/47/17/33/477471733.db2.gz FDZHPSWECITUDI-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000418367927 477472435 /nfs/dbraw/zinc/47/24/35/477472435.db2.gz ZZSUZGDURFRSPC-QFBILLFUSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000418367927 477472440 /nfs/dbraw/zinc/47/24/40/477472440.db2.gz ZZSUZGDURFRSPC-QFBILLFUSA-N 1 3 346.519 2.793 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000449179665 477472490 /nfs/dbraw/zinc/47/24/90/477472490.db2.gz XCCQCTNCAGOZKP-INIZCTEOSA-N 1 3 332.492 2.544 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000418352717 477472969 /nfs/dbraw/zinc/47/29/69/477472969.db2.gz NAYGDWWKJBFNJO-SFHVURJKSA-N 1 3 344.503 2.595 20 0 EFADHO CSCC[C@@H](CO)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449182598 477474669 /nfs/dbraw/zinc/47/46/69/477474669.db2.gz BRHQZGHCCDEXKZ-LPHOPBHVSA-N 1 3 336.545 2.786 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418438391 477475294 /nfs/dbraw/zinc/47/52/94/477475294.db2.gz XWBOFXPJNRMCRY-QZTJIDSGSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000418505036 477476347 /nfs/dbraw/zinc/47/63/47/477476347.db2.gz BTOLCAZKCRESEV-FUHWJXTLSA-N 1 3 344.503 2.562 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418603072 477479918 /nfs/dbraw/zinc/47/99/18/477479918.db2.gz OLFVXDPMAVKZDW-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO COc1nccc(CNCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000449216890 477491130 /nfs/dbraw/zinc/49/11/30/477491130.db2.gz VUHSPZURSCRUPO-WMZOPIPTSA-N 1 3 340.471 2.876 20 0 EFADHO COc1nccc(CNCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000449216890 477491138 /nfs/dbraw/zinc/49/11/38/477491138.db2.gz VUHSPZURSCRUPO-WMZOPIPTSA-N 1 3 340.471 2.876 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000449226005 477495574 /nfs/dbraw/zinc/49/55/74/477495574.db2.gz PVCACLUZYOBGJS-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO COc1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413066507 477496768 /nfs/dbraw/zinc/49/67/68/477496768.db2.gz VYEBMXOLMQUSGB-KBPBESRZSA-N 1 3 327.428 2.713 20 0 EFADHO COc1cc2nccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413066507 477496775 /nfs/dbraw/zinc/49/67/75/477496775.db2.gz VYEBMXOLMQUSGB-KBPBESRZSA-N 1 3 327.428 2.713 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000458615886 477510052 /nfs/dbraw/zinc/51/00/52/477510052.db2.gz IYIWALQQWLMYFD-MJGOQNOKSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000458615886 477510055 /nfs/dbraw/zinc/51/00/55/477510055.db2.gz IYIWALQQWLMYFD-MJGOQNOKSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376823475 477519020 /nfs/dbraw/zinc/51/90/20/477519020.db2.gz QCKSRTAVQXMXGM-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455187241 477536879 /nfs/dbraw/zinc/53/68/79/477536879.db2.gz IHPMAQNVRFAMEV-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cc(F)cc(OC)c1 ZINC000449326969 477549307 /nfs/dbraw/zinc/54/93/07/477549307.db2.gz AQNGUWYULVUXTH-UHFFFAOYSA-N 1 3 337.483 2.684 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cc(F)cc(OC)c1 ZINC000449326969 477549308 /nfs/dbraw/zinc/54/93/08/477549308.db2.gz AQNGUWYULVUXTH-UHFFFAOYSA-N 1 3 337.483 2.684 20 0 EFADHO C[C@H](CC[NH2+]C1CCN(Cc2ccccn2)CC1)N1CCCCC1 ZINC000419691492 477555320 /nfs/dbraw/zinc/55/53/20/477555320.db2.gz WVUPJBBAVFUVRA-GOSISDBHSA-N 1 3 330.520 2.900 20 0 EFADHO COc1cc2nccc(N3C[C@@H]([NH+](C)C)[C@@H](SC)C3)c2cc1OC ZINC000413201214 477567273 /nfs/dbraw/zinc/56/72/73/477567273.db2.gz FSXOGMQWAVRLIF-QAPCUYQASA-N 1 3 347.484 2.734 20 0 EFADHO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449641078 477569938 /nfs/dbraw/zinc/56/99/38/477569938.db2.gz UJNAGMLCDNOKDD-UYAOXDASSA-N 1 3 333.520 2.856 20 0 EFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000367596893 477590756 /nfs/dbraw/zinc/59/07/56/477590756.db2.gz AOCWUQFBZBULTA-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000367596893 477590762 /nfs/dbraw/zinc/59/07/62/477590762.db2.gz AOCWUQFBZBULTA-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000458788399 477596686 /nfs/dbraw/zinc/59/66/86/477596686.db2.gz YCRRMBZFLMYPSX-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000458788399 477596692 /nfs/dbraw/zinc/59/66/92/477596692.db2.gz YCRRMBZFLMYPSX-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000458788401 477597517 /nfs/dbraw/zinc/59/75/17/477597517.db2.gz YCRRMBZFLMYPSX-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000458788401 477597523 /nfs/dbraw/zinc/59/75/23/477597523.db2.gz YCRRMBZFLMYPSX-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)N(C)C ZINC000413269668 477601008 /nfs/dbraw/zinc/60/10/08/477601008.db2.gz SVDNYNHNASRITJ-INIZCTEOSA-N 1 3 325.884 2.570 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)CC(C)C ZINC000367614172 477601276 /nfs/dbraw/zinc/60/12/76/477601276.db2.gz HOXLRJKOWMKMOG-MWDXBVQZSA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CC(C)C ZINC000367614172 477601281 /nfs/dbraw/zinc/60/12/81/477601281.db2.gz HOXLRJKOWMKMOG-MWDXBVQZSA-N 1 3 325.497 2.610 20 0 EFADHO CN(Cc1cccc2cccnc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367621681 477607667 /nfs/dbraw/zinc/60/76/67/477607667.db2.gz CBUWOAHSBUTBSD-FQEVSTJZSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1cccc2cccnc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367621681 477607673 /nfs/dbraw/zinc/60/76/73/477607673.db2.gz CBUWOAHSBUTBSD-FQEVSTJZSA-N 1 3 338.499 2.835 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367736561 477663788 /nfs/dbraw/zinc/66/37/88/477663788.db2.gz GQECIYKXQGIGOB-JWTNVVGKSA-N 1 3 330.476 2.837 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367736561 477663795 /nfs/dbraw/zinc/66/37/95/477663795.db2.gz GQECIYKXQGIGOB-JWTNVVGKSA-N 1 3 330.476 2.837 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000420296093 477670618 /nfs/dbraw/zinc/67/06/18/477670618.db2.gz DBCWFPNOZDUOCI-SFTDATJTSA-N 1 3 342.458 2.969 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000420296093 477670627 /nfs/dbraw/zinc/67/06/27/477670627.db2.gz DBCWFPNOZDUOCI-SFTDATJTSA-N 1 3 342.458 2.969 20 0 EFADHO CC[C@H](Cc1ccccc1)N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420306019 477677423 /nfs/dbraw/zinc/67/74/23/477677423.db2.gz QHSJKSWKUADDRL-HKBOAZHASA-N 1 3 326.484 2.870 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000420308610 477680214 /nfs/dbraw/zinc/68/02/14/477680214.db2.gz CWBZGNSWGDZKKV-SYYJFZTOSA-N 1 3 345.531 2.934 20 0 EFADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312436 477684490 /nfs/dbraw/zinc/68/44/90/477684490.db2.gz WZICQNHASITIGX-LWYYNNOASA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312436 477684497 /nfs/dbraw/zinc/68/44/97/477684497.db2.gz WZICQNHASITIGX-LWYYNNOASA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@@H]1C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C12CCCC2 ZINC000420312436 477684504 /nfs/dbraw/zinc/68/45/04/477684504.db2.gz WZICQNHASITIGX-LWYYNNOASA-N 1 3 346.515 2.587 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@H]2c2cccc(F)c2)cc1 ZINC000420315562 477686227 /nfs/dbraw/zinc/68/62/27/477686227.db2.gz RZAHNRQKIKCTKR-PXNSSMCTSA-N 1 3 343.446 2.523 20 0 EFADHO COc1cccc([C@@H](C)N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420321683 477690570 /nfs/dbraw/zinc/69/05/70/477690570.db2.gz RLWQITAZAIYAIH-QZTJIDSGSA-N 1 3 331.504 2.764 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320714 477690901 /nfs/dbraw/zinc/69/09/01/477690901.db2.gz BPJUTJOQUFZMOK-NSHGMRRFSA-N 1 3 343.515 2.663 20 0 EFADHO CCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@@H](C)c1ccc(F)cc1 ZINC000420327667 477696447 /nfs/dbraw/zinc/69/64/47/477696447.db2.gz DLXVXWUPYAZDJX-RYQLBKOJSA-N 1 3 347.478 2.667 20 0 EFADHO Cc1ccc(OCCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420330472 477700358 /nfs/dbraw/zinc/70/03/58/477700358.db2.gz PSRUTJQISJUVSE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(OCCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1C ZINC000420330472 477700366 /nfs/dbraw/zinc/70/03/66/477700366.db2.gz PSRUTJQISJUVSE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(OCCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)cc1C ZINC000420330472 477700373 /nfs/dbraw/zinc/70/03/73/477700373.db2.gz PSRUTJQISJUVSE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1CN ZINC000420330339 477700946 /nfs/dbraw/zinc/70/09/46/477700946.db2.gz HWMMFGFDBRJZQE-OCCSQVGLSA-N 1 3 339.867 2.736 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1CN ZINC000420330339 477700951 /nfs/dbraw/zinc/70/09/51/477700951.db2.gz HWMMFGFDBRJZQE-OCCSQVGLSA-N 1 3 339.867 2.736 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000426118333 477703124 /nfs/dbraw/zinc/70/31/24/477703124.db2.gz XVYSRMWJKAMZBT-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333590 477704456 /nfs/dbraw/zinc/70/44/56/477704456.db2.gz FJQYEZRWMSOOPP-XLIONFOSSA-N 1 3 343.515 2.506 20 0 EFADHO Cc1ccc(C)c(OCCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420334858 477704900 /nfs/dbraw/zinc/70/49/00/477704900.db2.gz UMBGNLQBGBSPRJ-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(C)c(OCCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420334858 477704907 /nfs/dbraw/zinc/70/49/07/477704907.db2.gz UMBGNLQBGBSPRJ-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(C)c(OCCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420334858 477704911 /nfs/dbraw/zinc/70/49/11/477704911.db2.gz UMBGNLQBGBSPRJ-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420335402 477705824 /nfs/dbraw/zinc/70/58/24/477705824.db2.gz HHUHCZBEUKBQQT-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335878 477706221 /nfs/dbraw/zinc/70/62/21/477706221.db2.gz HZMORMNCRVFAFY-DJIMGWMZSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336630 477706572 /nfs/dbraw/zinc/70/65/72/477706572.db2.gz IYPTUQQNRALIAO-OKYOBFRVSA-N 1 3 343.515 2.882 20 0 EFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339009 477707869 /nfs/dbraw/zinc/70/78/69/477707869.db2.gz LJYSYHQAJNJOIU-RYQLBKOJSA-N 1 3 329.488 2.898 20 0 EFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338990 477707926 /nfs/dbraw/zinc/70/79/26/477707926.db2.gz LGASBRXDMUOPEM-ILXRZTDVSA-N 1 3 335.879 2.989 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341009 477711079 /nfs/dbraw/zinc/71/10/79/477711079.db2.gz PQFXIRBHIKQENW-MWDXBVQZSA-N 1 3 347.528 2.732 20 0 EFADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340682 477711538 /nfs/dbraw/zinc/71/15/38/477711538.db2.gz NFKVMDSBIBWBOW-JYJNAYRXSA-N 1 3 333.451 2.783 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420346282 477712691 /nfs/dbraw/zinc/71/26/91/477712691.db2.gz YADDXLRBLWZGEM-MSOLQXFVSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345735 477713676 /nfs/dbraw/zinc/71/36/76/477713676.db2.gz WNMKMFMKJQAORG-QLFBSQMISA-N 1 3 335.879 2.989 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345794 477714001 /nfs/dbraw/zinc/71/40/01/477714001.db2.gz WRNHMMCNURWESQ-BPQIPLTHSA-N 1 3 347.478 2.667 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345800 477714064 /nfs/dbraw/zinc/71/40/64/477714064.db2.gz WRRJNHHMQAAHJH-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)C[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420347338 477715329 /nfs/dbraw/zinc/71/53/29/477715329.db2.gz YBYTVNTYZNLWAB-HSALFYBXSA-N 1 3 343.515 2.821 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346317 477715896 /nfs/dbraw/zinc/71/58/96/477715896.db2.gz WHSSGZWQJOELHX-CPLUKWAASA-N 1 3 343.515 2.746 20 0 EFADHO CC(=O)Nc1ccc(CN2CCC(Nc3cc[nH+]c(C)c3)CC2)cc1 ZINC000450785488 477716348 /nfs/dbraw/zinc/71/63/48/477716348.db2.gz NMSBJBKIHKRASH-UHFFFAOYSA-N 1 3 338.455 2.847 20 0 EFADHO Brc1cccc(N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000455659079 477717049 /nfs/dbraw/zinc/71/70/49/477717049.db2.gz OOEHRLARAFYYKZ-UHFFFAOYSA-N 1 3 338.293 2.571 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000372257322 477718270 /nfs/dbraw/zinc/71/82/70/477718270.db2.gz ZYFPFQNNCAMDAS-CQSZACIVSA-N 1 3 341.297 2.767 20 0 EFADHO Brc1cccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420365123 477723725 /nfs/dbraw/zinc/72/37/25/477723725.db2.gz DPVZHLGOZKZJJG-AWEZNQCLSA-N 1 3 338.293 2.571 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420368526 477727645 /nfs/dbraw/zinc/72/76/45/477727645.db2.gz BANITUXOVUKNCC-YLJYHZDGSA-N 1 3 348.487 2.682 20 0 EFADHO CCOc1ccccc1CN1CCN(CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000420371167 477729738 /nfs/dbraw/zinc/72/97/38/477729738.db2.gz KHYBGLAIMQFAKV-MSOLQXFVSA-N 1 3 331.504 2.591 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000420375210 477731656 /nfs/dbraw/zinc/73/16/56/477731656.db2.gz ILVIKODQOWORDO-ROUUACIJSA-N 1 3 338.879 2.937 20 0 EFADHO COC[C@@H](Cc1ccccc1)N(C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420377893 477732454 /nfs/dbraw/zinc/73/24/54/477732454.db2.gz SSLRBMSCURYDCN-VQTJNVASSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420377893 477732462 /nfs/dbraw/zinc/73/24/62/477732462.db2.gz SSLRBMSCURYDCN-VQTJNVASSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420377893 477732463 /nfs/dbraw/zinc/73/24/63/477732463.db2.gz SSLRBMSCURYDCN-VQTJNVASSA-N 1 3 342.483 2.927 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000420376955 477732479 /nfs/dbraw/zinc/73/24/79/477732479.db2.gz KHTPVIYZKHIJRN-FUHWJXTLSA-N 1 3 338.879 2.937 20 0 EFADHO CCOC(=O)[C@@]1(C(C)C)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420378797 477735802 /nfs/dbraw/zinc/73/58/02/477735802.db2.gz UPPGMOITHQUXDO-PXNSSMCTSA-N 1 3 348.487 2.649 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420386627 477739273 /nfs/dbraw/zinc/73/92/73/477739273.db2.gz IYWHDSMTXLJNQT-OALUTQOASA-N 1 3 332.488 2.901 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401235 477749402 /nfs/dbraw/zinc/74/94/02/477749402.db2.gz IXHIGTHXBQCCID-CHWSQXEVSA-N 1 3 339.867 2.594 20 0 EFADHO [NH3+]CC1(O)CCN(CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000420408791 477752028 /nfs/dbraw/zinc/75/20/28/477752028.db2.gz WVCPKKFOZABESR-UHFFFAOYSA-N 1 3 346.393 2.650 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800533 477756617 /nfs/dbraw/zinc/75/66/17/477756617.db2.gz MYSMOSTVSUGAHB-MAUKXSAKSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800533 477756621 /nfs/dbraw/zinc/75/66/21/477756621.db2.gz MYSMOSTVSUGAHB-MAUKXSAKSA-N 1 3 336.524 2.565 20 0 EFADHO CN1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](c2ccccc2)C1 ZINC000426988386 477762857 /nfs/dbraw/zinc/76/28/57/477762857.db2.gz AETPIBPYCPROHK-MOPGFXCFSA-N 1 3 343.515 2.713 20 0 EFADHO CN(C(=O)C[C@H]1CCC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000427265878 477770661 /nfs/dbraw/zinc/77/06/61/477770661.db2.gz PSGSWXVHCZUCFX-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000450971634 477779751 /nfs/dbraw/zinc/77/97/51/477779751.db2.gz PARCGKGBYDNIAL-RBUKOAKNSA-N 1 3 339.568 2.976 20 0 EFADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000427883018 477784036 /nfs/dbraw/zinc/78/40/36/477784036.db2.gz BCKLKCYBOYEDBM-YRPNKDGESA-N 1 3 336.483 2.698 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420874023 477797468 /nfs/dbraw/zinc/79/74/68/477797468.db2.gz YHMPJUCGLZKAOW-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000420874023 477797473 /nfs/dbraw/zinc/79/74/73/477797473.db2.gz YHMPJUCGLZKAOW-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910066 477811136 /nfs/dbraw/zinc/81/11/36/477811136.db2.gz DJBLVNGWYWROTA-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910066 477811140 /nfs/dbraw/zinc/81/11/40/477811140.db2.gz DJBLVNGWYWROTA-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910066 477811144 /nfs/dbraw/zinc/81/11/44/477811144.db2.gz DJBLVNGWYWROTA-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910066 477811153 /nfs/dbraw/zinc/81/11/53/477811153.db2.gz DJBLVNGWYWROTA-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438320929 477822579 /nfs/dbraw/zinc/82/25/79/477822579.db2.gz KWYJTYQVLCIFRB-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438320929 477822591 /nfs/dbraw/zinc/82/25/91/477822591.db2.gz KWYJTYQVLCIFRB-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438323804 477824747 /nfs/dbraw/zinc/82/47/47/477824747.db2.gz DGSWEJINMMDUFT-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438323804 477824753 /nfs/dbraw/zinc/82/47/53/477824753.db2.gz DGSWEJINMMDUFT-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(CC)CC ZINC000515486383 477829515 /nfs/dbraw/zinc/82/95/15/477829515.db2.gz KSDTUELIOIAZGS-QXAKKESOSA-N 1 3 349.494 2.755 20 0 EFADHO CC(C)CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccoc1 ZINC000428232693 477846785 /nfs/dbraw/zinc/84/67/85/477846785.db2.gz VPPAIHHZOUDCSD-FUHWJXTLSA-N 1 3 335.492 2.934 20 0 EFADHO CC[C@H]1CC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000438483369 477849913 /nfs/dbraw/zinc/84/99/13/477849913.db2.gz MWGYOUJDMDONFT-IBGZPJMESA-N 1 3 343.515 2.761 20 0 EFADHO CC[C@H]1CC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000438483369 477849919 /nfs/dbraw/zinc/84/99/19/477849919.db2.gz MWGYOUJDMDONFT-IBGZPJMESA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)N(C)C1CC1 ZINC000460254445 477855766 /nfs/dbraw/zinc/85/57/66/477855766.db2.gz DAJUYDSCVPXWMD-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962694 477860234 /nfs/dbraw/zinc/86/02/34/477860234.db2.gz KUCUDLRKUOPQNJ-WIYYLYMNSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962694 477860242 /nfs/dbraw/zinc/86/02/42/477860242.db2.gz KUCUDLRKUOPQNJ-WIYYLYMNSA-N 1 3 343.515 2.577 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000460540042 477862115 /nfs/dbraw/zinc/86/21/15/477862115.db2.gz QXIFHIFERKOTLC-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CN(Cc1ccc(CN2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000420965757 477862667 /nfs/dbraw/zinc/86/26/67/477862667.db2.gz PUINAQOEXRKDQG-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN(Cc1ccc(CN2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000420965757 477862675 /nfs/dbraw/zinc/86/26/75/477862675.db2.gz PUINAQOEXRKDQG-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(CN3CCOCC3)cc1)C2 ZINC000420965757 477862684 /nfs/dbraw/zinc/86/26/84/477862684.db2.gz PUINAQOEXRKDQG-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(CN3CCOCC3)cc1)C2 ZINC000420965757 477862693 /nfs/dbraw/zinc/86/26/93/477862693.db2.gz PUINAQOEXRKDQG-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000493880222 477869339 /nfs/dbraw/zinc/86/93/39/477869339.db2.gz LLDMLGKBRCXKQV-INIZCTEOSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000493897761 477872619 /nfs/dbraw/zinc/87/26/19/477872619.db2.gz QYHWZGVWAFMIBJ-MPGHIAIKSA-N 1 3 331.504 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000461441342 477877300 /nfs/dbraw/zinc/87/73/00/477877300.db2.gz DTUTUAYFXIBPES-ZCNNSNEGSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000461441342 477877309 /nfs/dbraw/zinc/87/73/09/477877309.db2.gz DTUTUAYFXIBPES-ZCNNSNEGSA-N 1 3 343.515 2.553 20 0 EFADHO COc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)c(OC)c1 ZINC000459384540 477877994 /nfs/dbraw/zinc/87/79/94/477877994.db2.gz DHHCOMIRCGBAAQ-UHFFFAOYSA-N 1 3 341.455 2.900 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[NH+](C)C ZINC000456349329 477879450 /nfs/dbraw/zinc/87/94/50/477879450.db2.gz VQNSJOYYDDTRAZ-HKUYNNGSSA-N 1 3 331.504 2.553 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(C3CC3)cc2)CC1 ZINC000459411159 477893981 /nfs/dbraw/zinc/89/39/81/477893981.db2.gz TXRAGFSEJZHTPQ-UHFFFAOYSA-N 1 3 329.488 2.596 20 0 EFADHO CCCc1nc(C)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000428440366 477894596 /nfs/dbraw/zinc/89/45/96/477894596.db2.gz NOKLGWFJSURIAN-UHFFFAOYSA-N 1 3 348.535 2.785 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000494006067 477901210 /nfs/dbraw/zinc/90/12/10/477901210.db2.gz FYSXRNPHKLTMHG-YLJYHZDGSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)n1cc2c(n1)C[C@H]([NH2+]C1CCN(c3ccncc3)CC1)CC2 ZINC000459429224 477902752 /nfs/dbraw/zinc/90/27/52/477902752.db2.gz HNXGTDPPTUAROY-GOSISDBHSA-N 1 3 339.487 2.975 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)CC1 ZINC000438912276 477904800 /nfs/dbraw/zinc/90/48/00/477904800.db2.gz NKKRCCFOCCTIFA-QKNQBKEWSA-N 1 3 343.515 2.876 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)CC1 ZINC000438912279 477904926 /nfs/dbraw/zinc/90/49/26/477904926.db2.gz NKKRCCFOCCTIFA-SBHAEUEKSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000558674120 477914215 /nfs/dbraw/zinc/91/42/15/477914215.db2.gz FXFCKJRGUGWEIO-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCC[NH+](C)C ZINC000532442717 477928367 /nfs/dbraw/zinc/92/83/67/477928367.db2.gz GKWDNGBRDFUMBA-LBPRGKRZSA-N 1 3 331.382 2.964 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000439082950 477928544 /nfs/dbraw/zinc/92/85/44/477928544.db2.gz FTGDUHRUUDEUBO-UKRRQHHQSA-N 1 3 331.460 2.789 20 0 EFADHO OC[C@@H](Cc1c[nH]c2ccccc12)NC1CC[NH+](CC2CC2)CC1 ZINC000532499445 477936817 /nfs/dbraw/zinc/93/68/17/477936817.db2.gz IMVXWINSDYDLFH-GOSISDBHSA-N 1 3 327.472 2.535 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158585 477936873 /nfs/dbraw/zinc/93/68/73/477936873.db2.gz CPOGXSFEGZQSPV-MRXNPFEDSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158585 477936876 /nfs/dbraw/zinc/93/68/76/477936876.db2.gz CPOGXSFEGZQSPV-MRXNPFEDSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158585 477936882 /nfs/dbraw/zinc/93/68/82/477936882.db2.gz CPOGXSFEGZQSPV-MRXNPFEDSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC000532584251 477951857 /nfs/dbraw/zinc/95/18/57/477951857.db2.gz LWUKOENUSIATLU-PKOBYXMFSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC000532584251 477951866 /nfs/dbraw/zinc/95/18/66/477951866.db2.gz LWUKOENUSIATLU-PKOBYXMFSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000439343610 477965133 /nfs/dbraw/zinc/96/51/33/477965133.db2.gz CVKKPPPBWMKVNT-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465365066 477974425 /nfs/dbraw/zinc/97/44/25/477974425.db2.gz MKVDLJCSUYICSK-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465365066 477974431 /nfs/dbraw/zinc/97/44/31/477974431.db2.gz MKVDLJCSUYICSK-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(O)c(OCC)c1 ZINC000459571524 477979904 /nfs/dbraw/zinc/97/99/04/477979904.db2.gz ROORXQHKOVBBFJ-UHFFFAOYSA-N 1 3 349.519 2.640 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(O)c(OCC)c1 ZINC000459571524 477979910 /nfs/dbraw/zinc/97/99/10/477979910.db2.gz ROORXQHKOVBBFJ-UHFFFAOYSA-N 1 3 349.519 2.640 20 0 EFADHO COC(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459569329 477980306 /nfs/dbraw/zinc/98/03/06/477980306.db2.gz XUFLGGSLDHXREG-UHFFFAOYSA-N 1 3 325.412 2.627 20 0 EFADHO CC(C)n1cc(C2=CCCN(C3CC[NH+](C4CC4)CC3)CC2)nn1 ZINC000459581803 477989060 /nfs/dbraw/zinc/98/90/60/477989060.db2.gz QFMZAXXKCFHHBE-UHFFFAOYSA-N 1 3 329.492 2.965 20 0 EFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000465858856 477991705 /nfs/dbraw/zinc/99/17/05/477991705.db2.gz KEHZVKHBXGARHN-IRXDYDNUSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000465858856 477991712 /nfs/dbraw/zinc/99/17/12/477991712.db2.gz KEHZVKHBXGARHN-IRXDYDNUSA-N 1 3 340.556 2.869 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466036027 478001884 /nfs/dbraw/zinc/00/18/84/478001884.db2.gz DGVMXZZLLQGLAY-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466036027 478001887 /nfs/dbraw/zinc/00/18/87/478001887.db2.gz DGVMXZZLLQGLAY-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](CC2CCC2)CC1)Cc1ccccc1 ZINC000494584543 478017816 /nfs/dbraw/zinc/01/78/16/478017816.db2.gz VHNXIEUIVGYIII-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCc3ccccc3OC2)CC1 ZINC000494590098 478018854 /nfs/dbraw/zinc/01/88/54/478018854.db2.gz CQYVJKWQBVHPNQ-XUVXKRRUSA-N 1 3 344.499 2.738 20 0 EFADHO COc1cc(OC)c(C[C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000516964486 478024047 /nfs/dbraw/zinc/02/40/47/478024047.db2.gz FFNFBHPZTQIYFO-RRFJBIMHSA-N 1 3 336.476 2.621 20 0 EFADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCCNC2)c(OC)c1 ZINC000516964486 478024053 /nfs/dbraw/zinc/02/40/53/478024053.db2.gz FFNFBHPZTQIYFO-RRFJBIMHSA-N 1 3 336.476 2.621 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494637533 478029120 /nfs/dbraw/zinc/02/91/20/478029120.db2.gz LRFGZHJUGQEOHE-FUHWJXTLSA-N 1 3 329.488 2.860 20 0 EFADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000456681984 478042297 /nfs/dbraw/zinc/04/22/97/478042297.db2.gz JEZLBMUQSLPONV-LJQANCHMSA-N 1 3 333.520 2.917 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000487559365 478048423 /nfs/dbraw/zinc/04/84/23/478048423.db2.gz KZXIIGGKUUSYME-OMUFJYGLSA-N 1 3 337.467 2.841 20 0 EFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000487559365 478048432 /nfs/dbraw/zinc/04/84/32/478048432.db2.gz KZXIIGGKUUSYME-OMUFJYGLSA-N 1 3 337.467 2.841 20 0 EFADHO CCCN(C(=O)c1ccc(CN(CC)C2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000429098530 478058301 /nfs/dbraw/zinc/05/83/01/478058301.db2.gz KTKCJOSROVQLMN-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000429123752 478062800 /nfs/dbraw/zinc/06/28/00/478062800.db2.gz WCHLAKRNCOYYIR-WMZOPIPTSA-N 1 3 344.503 2.605 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNCc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000459731495 478063440 /nfs/dbraw/zinc/06/34/40/478063440.db2.gz FEMFLCDSSHLBEO-INIZCTEOSA-N 1 3 330.451 2.892 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNCc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000459731495 478063450 /nfs/dbraw/zinc/06/34/50/478063450.db2.gz FEMFLCDSSHLBEO-INIZCTEOSA-N 1 3 330.451 2.892 20 0 EFADHO CON1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421397097 478071325 /nfs/dbraw/zinc/07/13/25/478071325.db2.gz LIIOUBYSTYADSJ-HMXCVIKNSA-N 1 3 343.515 2.903 20 0 EFADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)C(C)C)[NH+]1CCC(C)CC1 ZINC000440212566 478092133 /nfs/dbraw/zinc/09/21/33/478092133.db2.gz GQBNDKQXNPAZDU-GOSISDBHSA-N 1 3 340.556 2.725 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)CCCC[NH+](C)C)CCC1 ZINC000517508536 478096899 /nfs/dbraw/zinc/09/68/99/478096899.db2.gz SVHBPRYSSHZJRE-UHFFFAOYSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000495019534 478106228 /nfs/dbraw/zinc/10/62/28/478106228.db2.gz SIAGOKWFOVQXFR-QZTJIDSGSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000495019534 478106234 /nfs/dbraw/zinc/10/62/34/478106234.db2.gz SIAGOKWFOVQXFR-QZTJIDSGSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000517740293 478119605 /nfs/dbraw/zinc/11/96/05/478119605.db2.gz BQGXREIRRWDPKB-KZNAEPCWSA-N 1 3 340.556 2.582 20 0 EFADHO C[C@@H]1C[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000488331096 478140329 /nfs/dbraw/zinc/14/03/29/478140329.db2.gz IOTFQBWVAMNMLY-YLJYHZDGSA-N 1 3 343.515 2.603 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168313 478146979 /nfs/dbraw/zinc/14/69/79/478146979.db2.gz DMWGCNAAWPLBDS-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168313 478146985 /nfs/dbraw/zinc/14/69/85/478146985.db2.gz DMWGCNAAWPLBDS-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168313 478146990 /nfs/dbraw/zinc/14/69/90/478146990.db2.gz DMWGCNAAWPLBDS-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO Cc1[nH+]c2ccccc2c(NCCN2CCN(C)C(C)(C)C2)c1C ZINC000440664731 478147383 /nfs/dbraw/zinc/14/73/83/478147383.db2.gz MATCLHZVDZFCQC-UHFFFAOYSA-N 1 3 326.488 2.711 20 0 EFADHO CCN(C(=O)NCCC[NH2+]C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000561208476 478166580 /nfs/dbraw/zinc/16/65/80/478166580.db2.gz HSQXFGMVTMRGQT-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000518441311 478167698 /nfs/dbraw/zinc/16/76/98/478167698.db2.gz CZMXQXZCHXXMCG-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000518441312 478168072 /nfs/dbraw/zinc/16/80/72/478168072.db2.gz CZMXQXZCHXXMCG-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000561257720 478170634 /nfs/dbraw/zinc/17/06/34/478170634.db2.gz WRKOMFLUEPTIDJ-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CCC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccncc1 ZINC000561498683 478190009 /nfs/dbraw/zinc/19/00/09/478190009.db2.gz JOFDWBOOLUKHIG-UHFFFAOYSA-N 1 3 344.503 2.679 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(C4CC4)c3)CC2)CC1 ZINC000518996944 478204690 /nfs/dbraw/zinc/20/46/90/478204690.db2.gz IOUYSWLPTHTTGH-UHFFFAOYSA-N 1 3 341.499 2.852 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146582 478220563 /nfs/dbraw/zinc/22/05/63/478220563.db2.gz BZBMOMLJLMQJGS-SJORKVTESA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146582 478220565 /nfs/dbraw/zinc/22/05/65/478220565.db2.gz BZBMOMLJLMQJGS-SJORKVTESA-N 1 3 348.535 2.519 20 0 EFADHO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000495553356 478228491 /nfs/dbraw/zinc/22/84/91/478228491.db2.gz AGZQOCZKQMYZPV-HZPDHXFCSA-N 1 3 337.508 2.850 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595994 478238231 /nfs/dbraw/zinc/23/82/31/478238231.db2.gz IUKCNNMWWKXTJK-RDJZCZTQSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595994 478238233 /nfs/dbraw/zinc/23/82/33/478238233.db2.gz IUKCNNMWWKXTJK-RDJZCZTQSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595994 478238237 /nfs/dbraw/zinc/23/82/37/478238237.db2.gz IUKCNNMWWKXTJK-RDJZCZTQSA-N 1 3 344.421 2.930 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000519631850 478243709 /nfs/dbraw/zinc/24/37/09/478243709.db2.gz AMQFLIOLAQDQFQ-LWYYNNOASA-N 1 3 340.471 2.723 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@H]1C ZINC000579341928 478273222 /nfs/dbraw/zinc/27/32/22/478273222.db2.gz GGKVBIPRBTVNLW-OCCSQVGLSA-N 1 3 339.867 2.655 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(CC)CC ZINC000537295756 478295204 /nfs/dbraw/zinc/29/52/04/478295204.db2.gz MYGJEPXYFBBUFS-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO COc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000579473024 478306146 /nfs/dbraw/zinc/30/61/46/478306146.db2.gz BPUCQVKZFBALOQ-CABCVRRESA-N 1 3 329.444 2.885 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000490379779 478334547 /nfs/dbraw/zinc/33/45/47/478334547.db2.gz UEINOGYXSAWZSS-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000490379779 478334554 /nfs/dbraw/zinc/33/45/54/478334554.db2.gz UEINOGYXSAWZSS-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000562750675 478341048 /nfs/dbraw/zinc/34/10/48/478341048.db2.gz QPOHVTGWBNUHGR-QUCCMNQESA-N 1 3 346.519 2.645 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000562768139 478344426 /nfs/dbraw/zinc/34/44/26/478344426.db2.gz GKGWOZREDQTRFZ-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCC[C@H](C)C1 ZINC000562768139 478344430 /nfs/dbraw/zinc/34/44/30/478344430.db2.gz GKGWOZREDQTRFZ-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000570381266 478347855 /nfs/dbraw/zinc/34/78/55/478347855.db2.gz NVGYJNKAIBTNDG-CQSZACIVSA-N 1 3 330.476 2.922 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000570381266 478347864 /nfs/dbraw/zinc/34/78/64/478347864.db2.gz NVGYJNKAIBTNDG-CQSZACIVSA-N 1 3 330.476 2.922 20 0 EFADHO [NH3+]CCC1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000570402643 478353413 /nfs/dbraw/zinc/35/34/13/478353413.db2.gz COWGOXOAYGNQDI-IBGZPJMESA-N 1 3 344.503 2.594 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000590819047 478354643 /nfs/dbraw/zinc/35/46/43/478354643.db2.gz VSUKYPMDONZSHV-GOSISDBHSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000590819047 478354651 /nfs/dbraw/zinc/35/46/51/478354651.db2.gz VSUKYPMDONZSHV-GOSISDBHSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000590818957 478354762 /nfs/dbraw/zinc/35/47/62/478354762.db2.gz LUIQENYVGFHHTR-QGZVFWFLSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000590818957 478354768 /nfs/dbraw/zinc/35/47/68/478354768.db2.gz LUIQENYVGFHHTR-QGZVFWFLSA-N 1 3 338.467 2.618 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399745 478358152 /nfs/dbraw/zinc/35/81/52/478358152.db2.gz GWMCZYHUTIAOOT-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399745 478358157 /nfs/dbraw/zinc/35/81/57/478358157.db2.gz GWMCZYHUTIAOOT-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399745 478358166 /nfs/dbraw/zinc/35/81/66/478358166.db2.gz GWMCZYHUTIAOOT-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc3nc[nH]c3c2)[C@@H](C)C1 ZINC000538399745 478358171 /nfs/dbraw/zinc/35/81/71/478358171.db2.gz GWMCZYHUTIAOOT-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc3nc[nH]c3c2)[C@@H](C)C1 ZINC000538399745 478358179 /nfs/dbraw/zinc/35/81/79/478358179.db2.gz GWMCZYHUTIAOOT-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521026720 478362191 /nfs/dbraw/zinc/36/21/91/478362191.db2.gz FLCLCVGQUSUWJN-CRAIPNDOSA-N 1 3 336.524 2.600 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000495851450 478362850 /nfs/dbraw/zinc/36/28/50/478362850.db2.gz RQGCLZACLUTPBP-MRXNPFEDSA-N 1 3 339.524 2.953 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000495851450 478362855 /nfs/dbraw/zinc/36/28/55/478362855.db2.gz RQGCLZACLUTPBP-MRXNPFEDSA-N 1 3 339.524 2.953 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000570517553 478378041 /nfs/dbraw/zinc/37/80/41/478378041.db2.gz IJIDCMTZBLLWIO-GOSISDBHSA-N 1 3 338.455 2.652 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000581556184 478386215 /nfs/dbraw/zinc/38/62/15/478386215.db2.gz VMKUGIDXDZSHND-XDKFSHSGSA-N 1 3 349.906 2.584 20 0 EFADHO O=C(Oc1ccccc1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000495890856 478390160 /nfs/dbraw/zinc/39/01/60/478390160.db2.gz JWJYJKKYJZINKP-QGZVFWFLSA-N 1 3 331.460 2.583 20 0 EFADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000570604220 478397162 /nfs/dbraw/zinc/39/71/62/478397162.db2.gz KRLFGPLLRFUOFF-JFIYKMOQSA-N 1 3 331.504 2.820 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1 ZINC000562990916 478405768 /nfs/dbraw/zinc/40/57/68/478405768.db2.gz JURBJGJLAFAKDD-NRFANRHFSA-N 1 3 346.515 2.951 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000581654966 478411109 /nfs/dbraw/zinc/41/11/09/478411109.db2.gz FRNYHCBIWQDVFZ-RBUKOAKNSA-N 1 3 340.471 2.795 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490975185 478415389 /nfs/dbraw/zinc/41/53/89/478415389.db2.gz UMFDOEBYFKCWDR-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490975185 478415392 /nfs/dbraw/zinc/41/53/92/478415392.db2.gz UMFDOEBYFKCWDR-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[S@](=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000590966742 478422404 /nfs/dbraw/zinc/42/24/04/478422404.db2.gz XKQMVFVHFWVCRP-QHCPKHFHSA-N 1 3 329.469 2.578 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)CC(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000570713394 478429180 /nfs/dbraw/zinc/42/91/80/478429180.db2.gz MSTIEPGGGCOLMT-IMJJTQAJSA-N 1 3 341.446 2.851 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000563056700 478433611 /nfs/dbraw/zinc/43/36/11/478433611.db2.gz YRUIDVRSQNHFEO-VQIMIIECSA-N 1 3 331.504 2.574 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000563056693 478434539 /nfs/dbraw/zinc/43/45/39/478434539.db2.gz YRUIDVRSQNHFEO-LPHOPBHVSA-N 1 3 331.504 2.574 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000491063939 478435053 /nfs/dbraw/zinc/43/50/53/478435053.db2.gz FIFWSCOYGJXDLN-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000491063939 478435059 /nfs/dbraw/zinc/43/50/59/478435059.db2.gz FIFWSCOYGJXDLN-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000563061032 478435440 /nfs/dbraw/zinc/43/54/40/478435440.db2.gz VHGZIRAMQHIBIE-GGPKGHCWSA-N 1 3 345.531 2.821 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)C ZINC000563078141 478441332 /nfs/dbraw/zinc/44/13/32/478441332.db2.gz ZOEQHBAYQJUNHH-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC000495963247 478443287 /nfs/dbraw/zinc/44/32/87/478443287.db2.gz SLSSJDSMGKRYQM-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC000495963247 478443291 /nfs/dbraw/zinc/44/32/91/478443291.db2.gz SLSSJDSMGKRYQM-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC000495963247 478443298 /nfs/dbraw/zinc/44/32/98/478443298.db2.gz SLSSJDSMGKRYQM-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@H]21 ZINC000495963247 478443305 /nfs/dbraw/zinc/44/33/05/478443305.db2.gz SLSSJDSMGKRYQM-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO F[C@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCNC1 ZINC000563113349 478451093 /nfs/dbraw/zinc/45/10/93/478451093.db2.gz KJWILFJKMQWEJI-GOSISDBHSA-N 1 3 330.407 2.881 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CCCCC3)CC2)CC1 ZINC000570820888 478455387 /nfs/dbraw/zinc/45/53/87/478455387.db2.gz FLAORHPSTZOESC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)CC[NH+]1CCC(CNCc2c(F)ccc(F)c2Cl)CC1 ZINC000527653529 478462681 /nfs/dbraw/zinc/46/26/81/478462681.db2.gz LYQQXJQEXZXVJX-UHFFFAOYSA-N 1 3 345.865 2.981 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000591097664 478464807 /nfs/dbraw/zinc/46/48/07/478464807.db2.gz ZSOBJDMJOPSSMQ-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccsc2C(F)(F)F)CC1(C)C ZINC000527703292 478484878 /nfs/dbraw/zinc/48/48/78/478484878.db2.gz IKNQQZJSOULMMB-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000570939179 478485991 /nfs/dbraw/zinc/48/59/91/478485991.db2.gz DPTQVJMKKQOXMH-NRFANRHFSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000570939179 478485998 /nfs/dbraw/zinc/48/59/98/478485998.db2.gz DPTQVJMKKQOXMH-NRFANRHFSA-N 1 3 345.531 2.944 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000591198208 478488554 /nfs/dbraw/zinc/48/85/54/478488554.db2.gz PIHRGGYASRALQA-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000496026676 478489603 /nfs/dbraw/zinc/48/96/03/478489603.db2.gz OLBANSWTLXOZMC-FPCVCCKLSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000496026676 478489607 /nfs/dbraw/zinc/48/96/07/478489607.db2.gz OLBANSWTLXOZMC-FPCVCCKLSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000563239389 478493115 /nfs/dbraw/zinc/49/31/15/478493115.db2.gz IPWNYWAZZBIAIO-FQEVSTJZSA-N 1 3 341.499 2.983 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C)CC3)CC2)CC1 ZINC000571071069 478515615 /nfs/dbraw/zinc/51/56/15/478515615.db2.gz DRLAVYBLOZSGKW-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC1(C)CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000563345718 478523140 /nfs/dbraw/zinc/52/31/40/478523140.db2.gz WIMTWHABOOAQQN-UHFFFAOYSA-N 1 3 329.488 2.662 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000563345349 478524183 /nfs/dbraw/zinc/52/41/83/478524183.db2.gz BXFBEBWHALSASH-DLBZAZTESA-N 1 3 325.541 2.586 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(CC)(CC)C3)CC2)CC1 ZINC000563398036 478547522 /nfs/dbraw/zinc/54/75/22/478547522.db2.gz MKNJWOXKGOWROX-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1C[C@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000571270612 478555737 /nfs/dbraw/zinc/55/57/37/478555737.db2.gz NTMZISCLIWJHOD-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COCc1ccccc1F)N1CCCCC1 ZINC000571315424 478569482 /nfs/dbraw/zinc/56/94/82/478569482.db2.gz CCCLNUAAZKIIJP-SJLPKXTDSA-N 1 3 338.467 2.557 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000582350303 478576159 /nfs/dbraw/zinc/57/61/59/478576159.db2.gz IAGDCPHDHRMKKI-SFHVURJKSA-N 1 3 332.492 2.511 20 0 EFADHO [NH3+]C[C@H]1CN(CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360795 478579573 /nfs/dbraw/zinc/57/95/73/478579573.db2.gz PGZVADWTRFDEQV-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360795 478579580 /nfs/dbraw/zinc/57/95/80/478579580.db2.gz PGZVADWTRFDEQV-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360795 478579593 /nfs/dbraw/zinc/57/95/93/478579593.db2.gz PGZVADWTRFDEQV-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000563529503 478579823 /nfs/dbraw/zinc/57/98/23/478579823.db2.gz QIDFNZFOYKBHIF-BHIYHBOVSA-N 1 3 344.503 2.640 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000571407765 478589553 /nfs/dbraw/zinc/58/95/53/478589553.db2.gz KWQZHMORCUTXDF-GOSISDBHSA-N 1 3 344.503 2.536 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000582419317 478593635 /nfs/dbraw/zinc/59/36/35/478593635.db2.gz WVLFMKKQFZZCQL-VEZWFGLTSA-N 1 3 338.540 2.654 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000571437470 478597626 /nfs/dbraw/zinc/59/76/26/478597626.db2.gz XPGSHOAKOGGYHB-BVBHFADKSA-N 1 3 329.488 2.846 20 0 EFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000582456277 478600068 /nfs/dbraw/zinc/60/00/68/478600068.db2.gz KHGTZNXLGPYKQA-PLACYPQZSA-N 1 3 328.500 2.895 20 0 EFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000582456279 478600854 /nfs/dbraw/zinc/60/08/54/478600854.db2.gz KHGTZNXLGPYKQA-XSDIEEQYSA-N 1 3 328.500 2.895 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000582485149 478610671 /nfs/dbraw/zinc/61/06/71/478610671.db2.gz XYFRHDIYIUCOJZ-APWZRJJASA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000582485149 478610678 /nfs/dbraw/zinc/61/06/78/478610678.db2.gz XYFRHDIYIUCOJZ-APWZRJJASA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000582522108 478618151 /nfs/dbraw/zinc/61/81/51/478618151.db2.gz PLELUQQQWQMBAR-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000582522108 478618170 /nfs/dbraw/zinc/61/81/70/478618170.db2.gz PLELUQQQWQMBAR-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CCN(C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000571535311 478620234 /nfs/dbraw/zinc/62/02/34/478620234.db2.gz MGYHJYDEBLJQDY-MOPGFXCFSA-N 1 3 334.504 2.573 20 0 EFADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000563722746 478623210 /nfs/dbraw/zinc/62/32/10/478623210.db2.gz ISCCVRCNIHTNAS-IMJJTQAJSA-N 1 3 330.394 2.902 20 0 EFADHO C[NH2+]C[C@](C)(O)CN[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000563722746 478623215 /nfs/dbraw/zinc/62/32/15/478623215.db2.gz ISCCVRCNIHTNAS-IMJJTQAJSA-N 1 3 330.394 2.902 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000582554288 478627060 /nfs/dbraw/zinc/62/70/60/478627060.db2.gz IQHMCUAEJNWGNQ-FHLIZLRMSA-N 1 3 349.906 2.634 20 0 EFADHO CN(C)C/C=C\C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000491684797 478631412 /nfs/dbraw/zinc/63/14/12/478631412.db2.gz HYAQTURZIMJKAW-FPLPWBNLSA-N 1 3 329.488 2.797 20 0 EFADHO CCC([NH3+])(CC)CNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496249826 478638296 /nfs/dbraw/zinc/63/82/96/478638296.db2.gz WYNXWCIMDBQJEH-UHFFFAOYSA-N 1 3 333.476 2.895 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000582603704 478640510 /nfs/dbraw/zinc/64/05/10/478640510.db2.gz NXDFJNIPHDYOJR-YLJYHZDGSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000571638935 478642774 /nfs/dbraw/zinc/64/27/74/478642774.db2.gz GSOUATMYYOBISG-QGZVFWFLSA-N 1 3 344.503 2.606 20 0 EFADHO Fc1ccc([C@@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571754964 478669713 /nfs/dbraw/zinc/66/97/13/478669713.db2.gz BZQWZESYKCSVTN-DLBZAZTESA-N 1 3 343.450 2.837 20 0 EFADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c[nH]1 ZINC000601137959 478681136 /nfs/dbraw/zinc/68/11/36/478681136.db2.gz LBOBTAKWVATSRF-CRAIPNDOSA-N 1 3 341.455 2.659 20 0 EFADHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CCCC1 ZINC000582794475 478687964 /nfs/dbraw/zinc/68/79/64/478687964.db2.gz KUSLPOWJEWNRAJ-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564064963 478688123 /nfs/dbraw/zinc/68/81/23/478688123.db2.gz CJGRFSQZOAETGB-KVSKMBFKSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000564064963 478688138 /nfs/dbraw/zinc/68/81/38/478688138.db2.gz CJGRFSQZOAETGB-KVSKMBFKSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCCNC1 ZINC000571872849 478696351 /nfs/dbraw/zinc/69/63/51/478696351.db2.gz DLYGAAKXMOJFPE-QWHCGFSZSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000571872849 478696360 /nfs/dbraw/zinc/69/63/60/478696360.db2.gz DLYGAAKXMOJFPE-QWHCGFSZSA-N 1 3 331.382 2.847 20 0 EFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000542845963 478699897 /nfs/dbraw/zinc/69/98/97/478699897.db2.gz GORAYPVRLGNDJL-PMACEKPBSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000571991977 478723930 /nfs/dbraw/zinc/72/39/30/478723930.db2.gz GJKXPVYOZBZZIV-MJBXVCDLSA-N 1 3 328.859 2.608 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000571991961 478723974 /nfs/dbraw/zinc/72/39/74/478723974.db2.gz GJKXPVYOZBZZIV-BFHYXJOUSA-N 1 3 328.859 2.608 20 0 EFADHO CCOCC[C@@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000582959503 478726927 /nfs/dbraw/zinc/72/69/27/478726927.db2.gz CPCYRKPNPKGJFQ-HXUWFJFHSA-N 1 3 334.504 2.940 20 0 EFADHO C[C@@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000543379982 478739325 /nfs/dbraw/zinc/73/93/25/478739325.db2.gz MFBHKBCYTINNSQ-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000564445000 478743117 /nfs/dbraw/zinc/74/31/17/478743117.db2.gz WQDJKNXOIHYOTD-FPOVZHCZSA-N 1 3 346.515 2.904 20 0 EFADHO C[N@H+](C[C@H](O)CNCCCOc1ccc2ccccc2c1)C1CC1 ZINC000583019738 478744479 /nfs/dbraw/zinc/74/44/79/478744479.db2.gz GPZPGXABYQDBNM-LJQANCHMSA-N 1 3 328.456 2.653 20 0 EFADHO C[N@@H+](C[C@H](O)CNCCCOc1ccc2ccccc2c1)C1CC1 ZINC000583019738 478744491 /nfs/dbraw/zinc/74/44/91/478744491.db2.gz GPZPGXABYQDBNM-LJQANCHMSA-N 1 3 328.456 2.653 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000583078977 478758433 /nfs/dbraw/zinc/75/84/33/478758433.db2.gz CDKTXNONZOEZMT-QGZVFWFLSA-N 1 3 340.533 2.583 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601283738 478764167 /nfs/dbraw/zinc/76/41/67/478764167.db2.gz JNRLQWWOYOBHNT-RTBURBONSA-N 1 3 346.519 2.770 20 0 EFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc2ccccc2c1 ZINC000572148975 478764723 /nfs/dbraw/zinc/76/47/23/478764723.db2.gz MBPQWVIULKPRON-FQEVSTJZSA-N 1 3 340.467 2.796 20 0 EFADHO CCN(Cc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000572157141 478767373 /nfs/dbraw/zinc/76/73/73/478767373.db2.gz FPIBXNZYADGLGH-SFHVURJKSA-N 1 3 329.488 2.933 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000543712850 478770921 /nfs/dbraw/zinc/77/09/21/478770921.db2.gz NAUNLFPUXKBQEL-MJGOQNOKSA-N 1 3 346.519 2.925 20 0 EFADHO [NH3+]C1CCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000583192193 478786943 /nfs/dbraw/zinc/78/69/43/478786943.db2.gz XYPGMKXLENVEFX-UHFFFAOYSA-N 1 3 346.475 2.506 20 0 EFADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000583193019 478788427 /nfs/dbraw/zinc/78/84/27/478788427.db2.gz KWDSFGNIHFYIQF-UHOSZYNNSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500591705 478795299 /nfs/dbraw/zinc/79/52/99/478795299.db2.gz MHICGCXEUJFMPV-YQVWRLOYSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500591705 478795306 /nfs/dbraw/zinc/79/53/06/478795306.db2.gz MHICGCXEUJFMPV-YQVWRLOYSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000501844840 478811584 /nfs/dbraw/zinc/81/15/84/478811584.db2.gz UTOQPTYKZNMNFS-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccccc1Cl ZINC000583293518 478813516 /nfs/dbraw/zinc/81/35/16/478813516.db2.gz NDEKQTXOILJDNK-UHFFFAOYSA-N 1 3 339.911 2.615 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000572356697 478815612 /nfs/dbraw/zinc/81/56/12/478815612.db2.gz SCBUWOPDOBFLJA-HZSPNIEDSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000572356697 478815620 /nfs/dbraw/zinc/81/56/20/478815620.db2.gz SCBUWOPDOBFLJA-HZSPNIEDSA-N 1 3 346.393 2.517 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572381419 478824107 /nfs/dbraw/zinc/82/41/07/478824107.db2.gz BKMOMZWDIKFQRE-IEBWSBKVSA-N 1 3 346.519 2.727 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000502855916 478831166 /nfs/dbraw/zinc/83/11/66/478831166.db2.gz BGCOOKQNNTYOTP-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000502855916 478831171 /nfs/dbraw/zinc/83/11/71/478831171.db2.gz BGCOOKQNNTYOTP-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO CCOc1cc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000583369265 478833898 /nfs/dbraw/zinc/83/38/98/478833898.db2.gz JQALHZQFKJLWMG-IEBWSBKVSA-N 1 3 348.487 2.812 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268914 478838567 /nfs/dbraw/zinc/83/85/67/478838567.db2.gz YUCFZDNHBJDJEF-XLIONFOSSA-N 1 3 330.520 2.969 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268914 478838577 /nfs/dbraw/zinc/83/85/77/478838577.db2.gz YUCFZDNHBJDJEF-XLIONFOSSA-N 1 3 330.520 2.969 20 0 EFADHO CCN(CC)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000503533459 478843970 /nfs/dbraw/zinc/84/39/70/478843970.db2.gz IEKDBHATLLROAZ-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503533459 478843976 /nfs/dbraw/zinc/84/39/76/478843976.db2.gz IEKDBHATLLROAZ-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429140 478849824 /nfs/dbraw/zinc/84/98/24/478849824.db2.gz JDZQLBJHTMWCNE-BZUAXINKSA-N 1 3 344.503 2.820 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429141 478850276 /nfs/dbraw/zinc/85/02/76/478850276.db2.gz JDZQLBJHTMWCNE-OAGGEKHMSA-N 1 3 344.503 2.820 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000572494621 478851755 /nfs/dbraw/zinc/85/17/55/478851755.db2.gz BJDKRPZNHJKJSP-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000572494621 478851759 /nfs/dbraw/zinc/85/17/59/478851759.db2.gz BJDKRPZNHJKJSP-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583505155 478868471 /nfs/dbraw/zinc/86/84/71/478868471.db2.gz UQLWLVKGNVHYLM-LJQANCHMSA-N 1 3 346.519 2.840 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)/C=C/CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000492208805 478875768 /nfs/dbraw/zinc/87/57/68/478875768.db2.gz PFHVMTNGGWLJGF-FFRPFHMCSA-N 1 3 329.488 2.521 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)/C=C/CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000492208805 478875774 /nfs/dbraw/zinc/87/57/74/478875774.db2.gz PFHVMTNGGWLJGF-FFRPFHMCSA-N 1 3 329.488 2.521 20 0 EFADHO CN(C[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000572714763 478901562 /nfs/dbraw/zinc/90/15/62/478901562.db2.gz XYBPFIZOISRFIO-NRFANRHFSA-N 1 3 345.531 2.607 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC[NH2+]C1CC1 ZINC000572780156 478919060 /nfs/dbraw/zinc/91/90/60/478919060.db2.gz BPAYNFDIQUSACI-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508843370 478942486 /nfs/dbraw/zinc/94/24/86/478942486.db2.gz FCFUINJFQIBZSD-NEWSRXKRSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508843370 478942490 /nfs/dbraw/zinc/94/24/90/478942490.db2.gz FCFUINJFQIBZSD-NEWSRXKRSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000583806567 478945676 /nfs/dbraw/zinc/94/56/76/478945676.db2.gz YVMRZNCRMDQRRL-SMMRIJLZSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCCNC1 ZINC000583806567 478945685 /nfs/dbraw/zinc/94/56/85/478945685.db2.gz YVMRZNCRMDQRRL-SMMRIJLZSA-N 1 3 334.479 2.877 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225915 478957747 /nfs/dbraw/zinc/95/77/47/478957747.db2.gz HCGWLOYETUKNNA-RRFJBIMHSA-N 1 3 346.393 2.596 20 0 EFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225915 478957754 /nfs/dbraw/zinc/95/77/54/478957754.db2.gz HCGWLOYETUKNNA-RRFJBIMHSA-N 1 3 346.393 2.596 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]Cc3cnc(C)n3C)CC2)cc1 ZINC000565238464 478960303 /nfs/dbraw/zinc/96/03/03/478960303.db2.gz PNSWKJFTESPJJZ-UHFFFAOYSA-N 1 3 342.487 2.739 20 0 EFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583870344 478961240 /nfs/dbraw/zinc/96/12/40/478961240.db2.gz LYBIRPCQVODTFZ-KFKAGJAMSA-N 1 3 343.515 2.574 20 0 EFADHO CCOCC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573005659 478971555 /nfs/dbraw/zinc/97/15/55/478971555.db2.gz XNZKLNYVTFKXSZ-DLBZAZTESA-N 1 3 340.533 2.598 20 0 EFADHO CCOCC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573005659 478971560 /nfs/dbraw/zinc/97/15/60/478971560.db2.gz XNZKLNYVTFKXSZ-DLBZAZTESA-N 1 3 340.533 2.598 20 0 EFADHO CCOCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573005661 478971680 /nfs/dbraw/zinc/97/16/80/478971680.db2.gz XNZKLNYVTFKXSZ-IRXDYDNUSA-N 1 3 340.533 2.598 20 0 EFADHO CCOCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573005661 478971685 /nfs/dbraw/zinc/97/16/85/478971685.db2.gz XNZKLNYVTFKXSZ-IRXDYDNUSA-N 1 3 340.533 2.598 20 0 EFADHO [NH3+]C1(C(=O)NCC2CCN(Cc3ccccc3Cl)CC2)CCC1 ZINC000583932529 478974561 /nfs/dbraw/zinc/97/45/61/478974561.db2.gz UEXKKFILOABLDE-UHFFFAOYSA-N 1 3 335.879 2.550 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C2CC2)s1 ZINC000573019809 478974919 /nfs/dbraw/zinc/97/49/19/478974919.db2.gz MQASOUZZWFCAPS-MRXNPFEDSA-N 1 3 336.549 2.868 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C2CC2)s1 ZINC000573019808 478975121 /nfs/dbraw/zinc/97/51/21/478975121.db2.gz MQASOUZZWFCAPS-INIZCTEOSA-N 1 3 336.549 2.868 20 0 EFADHO CN(C)Cc1cccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000583980659 478984541 /nfs/dbraw/zinc/98/45/41/478984541.db2.gz NIKCKTRNAMMDHY-GOSISDBHSA-N 1 3 347.528 2.904 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000573088787 478989585 /nfs/dbraw/zinc/98/95/85/478989585.db2.gz YIPFWYGRWORMRM-VQTJNVASSA-N 1 3 340.471 2.591 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000565368825 478990793 /nfs/dbraw/zinc/99/07/93/478990793.db2.gz RUMMAZAGJAQMRI-SFHVURJKSA-N 1 3 346.519 2.626 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000565368825 478990804 /nfs/dbraw/zinc/99/08/04/478990804.db2.gz RUMMAZAGJAQMRI-SFHVURJKSA-N 1 3 346.519 2.626 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512551477 479000068 /nfs/dbraw/zinc/00/00/68/479000068.db2.gz UQTHVECDVFPEDF-HOJAQTOUSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512551477 479000077 /nfs/dbraw/zinc/00/00/77/479000077.db2.gz UQTHVECDVFPEDF-HOJAQTOUSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000573188632 479009204 /nfs/dbraw/zinc/00/92/04/479009204.db2.gz IOOTWABWOXLWBY-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000573188632 479009206 /nfs/dbraw/zinc/00/92/06/479009206.db2.gz IOOTWABWOXLWBY-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+]1CCCC[C@H]1C ZINC000565527907 479027959 /nfs/dbraw/zinc/02/79/59/479027959.db2.gz HUWSNSFPUKPJDW-HUUCEWRRSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@H+]1CCCC[C@H]1C ZINC000565527907 479027963 /nfs/dbraw/zinc/02/79/63/479027963.db2.gz HUWSNSFPUKPJDW-HUUCEWRRSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000565527908 479028184 /nfs/dbraw/zinc/02/81/84/479028184.db2.gz HUWSNSFPUKPJDW-LSDHHAIUSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@H+]1CCCC[C@@H]1C ZINC000565527908 479028191 /nfs/dbraw/zinc/02/81/91/479028191.db2.gz HUWSNSFPUKPJDW-LSDHHAIUSA-N 1 3 346.475 2.553 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168064 479038154 /nfs/dbraw/zinc/03/81/54/479038154.db2.gz QYMAMQDSYSIDAP-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168064 479038160 /nfs/dbraw/zinc/03/81/60/479038160.db2.gz QYMAMQDSYSIDAP-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168064 479038165 /nfs/dbraw/zinc/03/81/65/479038165.db2.gz QYMAMQDSYSIDAP-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000584170273 479039921 /nfs/dbraw/zinc/03/99/21/479039921.db2.gz GLJWQOGIEKRDTI-IXDOHACOSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000584170273 479039928 /nfs/dbraw/zinc/03/99/28/479039928.db2.gz GLJWQOGIEKRDTI-IXDOHACOSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000584170271 479040271 /nfs/dbraw/zinc/04/02/71/479040271.db2.gz GLJWQOGIEKRDTI-BBWFWOEESA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000584170271 479040276 /nfs/dbraw/zinc/04/02/76/479040276.db2.gz GLJWQOGIEKRDTI-BBWFWOEESA-N 1 3 343.515 2.921 20 0 EFADHO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000595894727 479055535 /nfs/dbraw/zinc/05/55/35/479055535.db2.gz YVPRBJRYJNVXSF-HXUWFJFHSA-N 1 3 330.472 2.744 20 0 EFADHO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000595894727 479055542 /nfs/dbraw/zinc/05/55/42/479055542.db2.gz YVPRBJRYJNVXSF-HXUWFJFHSA-N 1 3 330.472 2.744 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595901300 479059524 /nfs/dbraw/zinc/05/95/24/479059524.db2.gz UZMPLNBEGRITGQ-KRWDZBQOSA-N 1 3 346.471 2.564 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000565705461 479065663 /nfs/dbraw/zinc/06/56/63/479065663.db2.gz IYBYDKKXCZTURV-UHFFFAOYSA-N 1 3 344.503 2.916 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000565705461 479065669 /nfs/dbraw/zinc/06/56/69/479065669.db2.gz IYBYDKKXCZTURV-UHFFFAOYSA-N 1 3 344.503 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000565753890 479075134 /nfs/dbraw/zinc/07/51/34/479075134.db2.gz IKTKIWACHARXEN-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000565753890 479075141 /nfs/dbraw/zinc/07/51/41/479075141.db2.gz IKTKIWACHARXEN-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000584302415 479088721 /nfs/dbraw/zinc/08/87/21/479088721.db2.gz CZEPLZZVBSPLHZ-HKUYNNGSSA-N 1 3 346.519 2.886 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCN(CC3CC3)CC2)c1C ZINC000598954765 479100064 /nfs/dbraw/zinc/10/00/64/479100064.db2.gz HKYNKYXLTNMMOR-UHFFFAOYSA-N 1 3 333.476 2.772 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000515061891 479114123 /nfs/dbraw/zinc/11/41/23/479114123.db2.gz JUVPETQCHSYLQE-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000515061891 479114130 /nfs/dbraw/zinc/11/41/30/479114130.db2.gz JUVPETQCHSYLQE-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000573676440 479118062 /nfs/dbraw/zinc/11/80/62/479118062.db2.gz FEWCEUQNPOBYBD-SFHVURJKSA-N 1 3 334.504 2.755 20 0 EFADHO CN(CCN(CC[NH+](C)C)Cc1ccccn1)Cc1ccccc1 ZINC000573694990 479124279 /nfs/dbraw/zinc/12/42/79/479124279.db2.gz JAGAHZBTIHUQNA-UHFFFAOYSA-N 1 3 326.488 2.577 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000515223642 479136200 /nfs/dbraw/zinc/13/62/00/479136200.db2.gz WZSGYQVYKWBVBN-RBUKOAKNSA-N 1 3 344.503 2.690 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584463682 479142912 /nfs/dbraw/zinc/14/29/12/479142912.db2.gz GIHPGBXFDSYNTO-RBUKOAKNSA-N 1 3 340.471 2.575 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000573824037 479152692 /nfs/dbraw/zinc/15/26/92/479152692.db2.gz JCODFSAUPYZQAR-WMZOPIPTSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@H](O)COC(C)C)C2)s1 ZINC000573843190 479157499 /nfs/dbraw/zinc/15/74/99/479157499.db2.gz MEDPTOGGWFPNCL-IRXDYDNUSA-N 1 3 340.533 2.596 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H](O)COC(C)C)C2)s1 ZINC000573843190 479157507 /nfs/dbraw/zinc/15/75/07/479157507.db2.gz MEDPTOGGWFPNCL-IRXDYDNUSA-N 1 3 340.533 2.596 20 0 EFADHO CC[NH+]1CCC(CNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000573904132 479169807 /nfs/dbraw/zinc/16/98/07/479169807.db2.gz LDVPHPHNMBAOFM-UHFFFAOYSA-N 1 3 330.451 2.892 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCNCC[C@H]3C)cc2)n1 ZINC000584584965 479186312 /nfs/dbraw/zinc/18/63/12/479186312.db2.gz UYKPVZWKEXBSJQ-PBHICJAKSA-N 1 3 328.460 2.819 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@H]3CC[NH2+]CC[C@H]3C)cc2)n1 ZINC000584584965 479186316 /nfs/dbraw/zinc/18/63/16/479186316.db2.gz UYKPVZWKEXBSJQ-PBHICJAKSA-N 1 3 328.460 2.819 20 0 EFADHO CC[N@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000584584059 479186630 /nfs/dbraw/zinc/18/66/30/479186630.db2.gz UPLZIDHNTKFCRZ-HNNXBMFYSA-N 1 3 332.410 2.929 20 0 EFADHO CC[N@@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000584584059 479186642 /nfs/dbraw/zinc/18/66/42/479186642.db2.gz UPLZIDHNTKFCRZ-HNNXBMFYSA-N 1 3 332.410 2.929 20 0 EFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000529527749 479192495 /nfs/dbraw/zinc/19/24/95/479192495.db2.gz BWINVIOUASTUKD-UZLBHIALSA-N 1 3 326.488 2.626 20 0 EFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000569888947 479199219 /nfs/dbraw/zinc/19/92/19/479199219.db2.gz GUTJHSWOULENOC-MNEFBYGVSA-N 1 3 335.536 2.780 20 0 EFADHO CN(Cc1ccc2cc[nH]c2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000529567178 479207811 /nfs/dbraw/zinc/20/78/11/479207811.db2.gz JFOALCUPTQQMOC-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1ccc2cc[nH]c2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000529567178 479207821 /nfs/dbraw/zinc/20/78/21/479207821.db2.gz JFOALCUPTQQMOC-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000569983772 479221943 /nfs/dbraw/zinc/22/19/43/479221943.db2.gz CHNSKPHHSXLQNE-IBGZPJMESA-N 1 3 344.503 2.565 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000584783734 479243318 /nfs/dbraw/zinc/24/33/18/479243318.db2.gz ULEPAYYWASURJG-INIZCTEOSA-N 1 3 335.492 2.898 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000557164609 479261547 /nfs/dbraw/zinc/26/15/47/479261547.db2.gz SIFUOAKSQPKKEI-RNIPGJKVSA-N 1 3 344.503 2.509 20 0 EFADHO N[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000557191639 479265026 /nfs/dbraw/zinc/26/50/26/479265026.db2.gz OWTPTVFQKLATMI-LJQANCHMSA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000557217236 479267512 /nfs/dbraw/zinc/26/75/12/479267512.db2.gz QMYVMMVQSQADKT-UHFFFAOYSA-N 1 3 346.519 2.728 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574337428 479267825 /nfs/dbraw/zinc/26/78/25/479267825.db2.gz ROSMHRTXPMSRCF-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574337428 479267829 /nfs/dbraw/zinc/26/78/29/479267829.db2.gz ROSMHRTXPMSRCF-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CC=CCC3)CC2)CC1 ZINC000574413849 479283167 /nfs/dbraw/zinc/28/31/67/479283167.db2.gz LFEJYVMWCMNWHO-SFHVURJKSA-N 1 3 347.547 2.997 20 0 EFADHO COC1CC[NH+](C2(CN[C@H](C)c3cnccc3N)CCCC2)CC1 ZINC000574442774 479287564 /nfs/dbraw/zinc/28/75/64/479287564.db2.gz CXMTZNJEGVAYSB-OAHLLOKOSA-N 1 3 332.492 2.568 20 0 EFADHO COC1CCN(C2(C[NH2+][C@H](C)c3cnccc3N)CCCC2)CC1 ZINC000574442774 479287570 /nfs/dbraw/zinc/28/75/70/479287570.db2.gz CXMTZNJEGVAYSB-OAHLLOKOSA-N 1 3 332.492 2.568 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557566403 479289763 /nfs/dbraw/zinc/28/97/63/479289763.db2.gz RCMNHDVYCSZVIQ-DLBZAZTESA-N 1 3 331.504 2.641 20 0 EFADHO CCOC(=O)C1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000611433885 479379641 /nfs/dbraw/zinc/37/96/41/479379641.db2.gz OPHXLKWRMDDEBS-UHFFFAOYSA-N 1 3 348.487 2.839 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000575053245 479395560 /nfs/dbraw/zinc/39/55/60/479395560.db2.gz DCGSPIQRPLTAMO-PHXBYCTMSA-N 1 3 332.488 2.514 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000575053245 479395568 /nfs/dbraw/zinc/39/55/68/479395568.db2.gz DCGSPIQRPLTAMO-PHXBYCTMSA-N 1 3 332.488 2.514 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)NCCN1CCCCCC1 ZINC000575203116 479420139 /nfs/dbraw/zinc/42/01/39/479420139.db2.gz FJOUXVNVFZDOEF-LSDHHAIUSA-N 1 3 349.441 2.689 20 0 EFADHO Cc1cccc(NCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000575243650 479425125 /nfs/dbraw/zinc/42/51/25/479425125.db2.gz XDKQIHSTUAVIQF-FXAWDEMLSA-N 1 3 338.455 2.647 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(COCc2ccco2)c1 ZINC000575373010 479435219 /nfs/dbraw/zinc/43/52/19/479435219.db2.gz VGHVEIVECDKLOG-CWFSZBLJSA-N 1 3 344.455 2.838 20 0 EFADHO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)C ZINC000588903433 479454584 /nfs/dbraw/zinc/45/45/84/479454584.db2.gz YBWIXBUCDNNTRS-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CNC(=O)CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575760033 479470887 /nfs/dbraw/zinc/47/08/87/479470887.db2.gz ZRJLZZNDFWWIEL-FQEVSTJZSA-N 1 3 329.488 2.501 20 0 EFADHO CNC(=O)CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575760033 479470892 /nfs/dbraw/zinc/47/08/92/479470892.db2.gz ZRJLZZNDFWWIEL-FQEVSTJZSA-N 1 3 329.488 2.501 20 0 EFADHO CC(C)(C)OC(=O)C(C)(C)CCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602694878 479480182 /nfs/dbraw/zinc/48/01/82/479480182.db2.gz OHGQFGUIOBLJBQ-UHFFFAOYSA-N 1 3 342.524 2.569 20 0 EFADHO CN1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206454 479486890 /nfs/dbraw/zinc/48/68/90/479486890.db2.gz QLYPVQCNIMKDLF-LJQANCHMSA-N 1 3 344.503 2.561 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602729188 479508758 /nfs/dbraw/zinc/50/87/58/479508758.db2.gz SVUPVBRLRIRACV-WMZOPIPTSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602729188 479508763 /nfs/dbraw/zinc/50/87/63/479508763.db2.gz SVUPVBRLRIRACV-WMZOPIPTSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602729188 479508768 /nfs/dbraw/zinc/50/87/68/479508768.db2.gz SVUPVBRLRIRACV-WMZOPIPTSA-N 1 3 332.488 2.933 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000604638713 479551949 /nfs/dbraw/zinc/55/19/49/479551949.db2.gz DXGYAPBUGOBYDF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000604638713 479551957 /nfs/dbraw/zinc/55/19/57/479551957.db2.gz DXGYAPBUGOBYDF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO COC(=O)c1ccc(CNCC2(SC)CC[NH+](C)CC2)cc1F ZINC000597132841 479588791 /nfs/dbraw/zinc/58/87/91/479588791.db2.gz LGVABWAMFWBICH-UHFFFAOYSA-N 1 3 340.464 2.529 20 0 EFADHO COC(=O)c1ccc(C[NH2+]CC2(SC)CCN(C)CC2)cc1F ZINC000597132841 479588796 /nfs/dbraw/zinc/58/87/96/479588796.db2.gz LGVABWAMFWBICH-UHFFFAOYSA-N 1 3 340.464 2.529 20 0 EFADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000578980350 479642424 /nfs/dbraw/zinc/64/24/24/479642424.db2.gz GQOFQBUWKXWDDJ-SFHVURJKSA-N 1 3 344.503 2.612 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618984183 479659495 /nfs/dbraw/zinc/65/94/95/479659495.db2.gz SHMDZDCFSRCNMQ-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618984183 479659500 /nfs/dbraw/zinc/65/95/00/479659500.db2.gz SHMDZDCFSRCNMQ-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615444654 479674547 /nfs/dbraw/zinc/67/45/47/479674547.db2.gz AQZLJWKEXZARAR-IRXDYDNUSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCC1 ZINC000606434550 479685909 /nfs/dbraw/zinc/68/59/09/479685909.db2.gz RKEXIYQPFFGUNN-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000612579625 479699841 /nfs/dbraw/zinc/69/98/41/479699841.db2.gz ODYRNGBMXLRCIE-AZUAARDMSA-N 1 3 348.487 2.839 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606659664 479717360 /nfs/dbraw/zinc/71/73/60/479717360.db2.gz RGMCXIKONDYNHR-LPHOPBHVSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000621650153 479737607 /nfs/dbraw/zinc/73/76/07/479737607.db2.gz UULRQIHXHUINMI-MRXNPFEDSA-N 1 3 333.476 2.654 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621657747 479738880 /nfs/dbraw/zinc/73/88/80/479738880.db2.gz TYILJCKOTZYPBB-DLBZAZTESA-N 1 3 344.503 2.503 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000633343723 479778949 /nfs/dbraw/zinc/77/89/49/479778949.db2.gz SJNFCUPKGHYMMT-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)ncc1Br ZINC000628163937 479793043 /nfs/dbraw/zinc/79/30/43/479793043.db2.gz YGBLQEVECXDKRM-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)ccn1 ZINC000621776819 479788663 /nfs/dbraw/zinc/78/86/63/479788663.db2.gz XEQAPBLJUKADEY-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)ccn1 ZINC000621776819 479788674 /nfs/dbraw/zinc/78/86/74/479788674.db2.gz XEQAPBLJUKADEY-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000628158436 479790415 /nfs/dbraw/zinc/79/04/15/479790415.db2.gz NUESYGSBILZWDL-KURKYZTESA-N 1 3 325.566 2.763 20 0 EFADHO CCC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000607226633 479791039 /nfs/dbraw/zinc/79/10/39/479791039.db2.gz QIKZIPGDBGWVFX-GOSISDBHSA-N 1 3 334.508 2.663 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000607384506 479809517 /nfs/dbraw/zinc/80/95/17/479809517.db2.gz MKQWZEGYFRIIBX-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000607384506 479809523 /nfs/dbraw/zinc/80/95/23/479809523.db2.gz MKQWZEGYFRIIBX-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO O[C@H](CNCCc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000628209342 479816227 /nfs/dbraw/zinc/81/62/27/479816227.db2.gz ZLYMPYRMBHEFKD-MRXNPFEDSA-N 1 3 330.394 2.684 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628238341 479824998 /nfs/dbraw/zinc/82/49/98/479824998.db2.gz UVYNEQUCKIYODL-GOSISDBHSA-N 1 3 325.566 2.622 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000628278208 479838496 /nfs/dbraw/zinc/83/84/96/479838496.db2.gz FVVQHFJQDMYQIU-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)CCC3(C)C)CC2)CC1 ZINC000616165912 479841504 /nfs/dbraw/zinc/84/15/04/479841504.db2.gz WKCQCYYPFUYVQM-MRXNPFEDSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631569861 480160110 /nfs/dbraw/zinc/16/01/10/480160110.db2.gz NPTMAIWYDLIOLY-FUHWJXTLSA-N 1 3 349.519 2.771 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631569863 480160617 /nfs/dbraw/zinc/16/06/17/480160617.db2.gz NPTMAIWYDLIOLY-WMZOPIPTSA-N 1 3 349.519 2.771 20 0 EFADHO COc1cccc2c1OCCC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000631624106 480187604 /nfs/dbraw/zinc/18/76/04/480187604.db2.gz BELDMAYFCUWAHB-QGZVFWFLSA-N 1 3 347.503 2.525 20 0 EFADHO CCC1(N2CCOCC2)CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000626089247 480196051 /nfs/dbraw/zinc/19/60/51/480196051.db2.gz HVPJBJOIMZPMMN-RTBURBONSA-N 1 3 337.552 2.541 20 0 EFADHO c1c(CN[C@@H]2CCCC[C@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000629414095 480248452 /nfs/dbraw/zinc/24/84/52/480248452.db2.gz CPWXQMLQRFWPBW-GBESFXJTSA-N 1 3 325.460 2.629 20 0 EFADHO Clc1cccc([C@@H]2CC[C@@H](NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)c1 ZINC000629548618 480300648 /nfs/dbraw/zinc/30/06/48/480300648.db2.gz HSASIDNNFOCRRN-KYJSFNMBSA-N 1 3 345.878 2.892 20 0 EFADHO OCCNC1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000631863697 480302670 /nfs/dbraw/zinc/30/26/70/480302670.db2.gz BEMMVUHHJKHQAK-UHFFFAOYSA-N 1 3 330.394 2.684 20 0 EFADHO O[C@H](CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000629554685 480304537 /nfs/dbraw/zinc/30/45/37/480304537.db2.gz NFYKRXASABSRBL-IVAOSVALSA-N 1 3 346.515 2.855 20 0 EFADHO O[C@H](C[NH2+][C@H]1C[C@H]1c1ccccc1C(F)(F)F)CN1CCCC1 ZINC000629558602 480305557 /nfs/dbraw/zinc/30/55/57/480305557.db2.gz KHMDZRCTUQBSCO-INWMFGNUSA-N 1 3 328.378 2.608 20 0 EFADHO CC[C@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629564994 480310301 /nfs/dbraw/zinc/31/03/01/480310301.db2.gz NUYFJOAQMDBTJP-HUUCEWRRSA-N 1 3 326.868 2.544 20 0 EFADHO COc1cccc(C2(CNC[C@@H](O)C[NH+]3CCCC3)CCCC2)c1 ZINC000629565110 480310594 /nfs/dbraw/zinc/31/05/94/480310594.db2.gz VHBKXSNKPVCYAF-GOSISDBHSA-N 1 3 332.488 2.553 20 0 EFADHO C[N@H+](CCCCNCc1ncc(Br)cc1F)C1CC1 ZINC000623544801 480334588 /nfs/dbraw/zinc/33/45/88/480334588.db2.gz LVNMFDFDGVUVMS-UHFFFAOYSA-N 1 3 330.245 2.947 20 0 EFADHO C[N@@H+](CCCCNCc1ncc(Br)cc1F)C1CC1 ZINC000623544801 480334592 /nfs/dbraw/zinc/33/45/92/480334592.db2.gz LVNMFDFDGVUVMS-UHFFFAOYSA-N 1 3 330.245 2.947 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)c2ccccc21 ZINC000629656936 480346172 /nfs/dbraw/zinc/34/61/72/480346172.db2.gz XMLYXBJZNOESQL-MNEFBYGVSA-N 1 3 329.488 2.658 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000629673812 480352916 /nfs/dbraw/zinc/35/29/16/480352916.db2.gz IWTFHMIEVCSKNK-SUMWQHHRSA-N 1 3 335.879 2.504 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596975 480354818 /nfs/dbraw/zinc/35/48/18/480354818.db2.gz RRCWFRHJQURVFN-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596975 480354821 /nfs/dbraw/zinc/35/48/21/480354821.db2.gz RRCWFRHJQURVFN-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)CC[NH2+]Cc1ccc(-c2cccc(OCCN(C)C)c2)cc1 ZINC000629700828 480362496 /nfs/dbraw/zinc/36/24/96/480362496.db2.gz PEPCMKPVGBTTJM-UHFFFAOYSA-N 1 3 341.499 2.945 20 0 EFADHO CN(C)CCOc1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000629701566 480362996 /nfs/dbraw/zinc/36/29/96/480362996.db2.gz WKAYQVZRNDIWKH-UHFFFAOYSA-N 1 3 325.456 2.704 20 0 EFADHO COC(=O)CC1([NH2+]Cc2ccc(OCCN(C)C)cc2)CCCCC1 ZINC000610677987 480363447 /nfs/dbraw/zinc/36/34/47/480363447.db2.gz JNERSZADCKUOMH-UHFFFAOYSA-N 1 3 348.487 2.983 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc2ccccc21 ZINC000644531742 480422093 /nfs/dbraw/zinc/42/20/93/480422093.db2.gz AMYNGKCLUOKWBF-APWZRJJASA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531742 480422099 /nfs/dbraw/zinc/42/20/99/480422099.db2.gz AMYNGKCLUOKWBF-APWZRJJASA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531742 480422107 /nfs/dbraw/zinc/42/21/07/480422107.db2.gz AMYNGKCLUOKWBF-APWZRJJASA-N 1 3 340.467 2.653 20 0 EFADHO CC1(C)C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000634679660 480426574 /nfs/dbraw/zinc/42/65/74/480426574.db2.gz BDISBMSUDMCROA-GOSISDBHSA-N 1 3 332.488 2.691 20 0 EFADHO CC1(C)C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000634679661 480427200 /nfs/dbraw/zinc/42/72/00/480427200.db2.gz BDISBMSUDMCROA-SFHVURJKSA-N 1 3 332.488 2.691 20 0 EFADHO Cc1cccn2c(=O)cc(CN(C)CCCC[NH+]3CCCCC3)nc12 ZINC000640532304 480436370 /nfs/dbraw/zinc/43/63/70/480436370.db2.gz DAAOARSLWQWROS-UHFFFAOYSA-N 1 3 342.487 2.701 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000634706464 480445503 /nfs/dbraw/zinc/44/55/03/480445503.db2.gz PPEGXSZFKYIIBW-DFBGVHRSSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000634706464 480445513 /nfs/dbraw/zinc/44/55/13/480445513.db2.gz PPEGXSZFKYIIBW-DFBGVHRSSA-N 1 3 347.286 2.805 20 0 EFADHO CC[C@H](CC(F)(F)F)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711165 480452008 /nfs/dbraw/zinc/45/20/08/480452008.db2.gz KPVPGGIJNVJJAE-HZPDHXFCSA-N 1 3 330.394 2.944 20 0 EFADHO CC[C@H](CC(F)(F)F)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711165 480452014 /nfs/dbraw/zinc/45/20/14/480452014.db2.gz KPVPGGIJNVJJAE-HZPDHXFCSA-N 1 3 330.394 2.944 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C1CCC1)c1cccc(OC)c1 ZINC000629944912 480463481 /nfs/dbraw/zinc/46/34/81/480463481.db2.gz ONXOURDSPBXJSR-IBGZPJMESA-N 1 3 347.503 2.679 20 0 EFADHO CNC(=O)CCN(C)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638020699 480467557 /nfs/dbraw/zinc/46/75/57/480467557.db2.gz MIJOOEYWTANZNA-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CCN(C)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638020699 480467562 /nfs/dbraw/zinc/46/75/62/480467562.db2.gz MIJOOEYWTANZNA-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CC[N@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638020699 480467567 /nfs/dbraw/zinc/46/75/67/480467567.db2.gz MIJOOEYWTANZNA-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CC[N@@H+](C)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638020699 480467573 /nfs/dbraw/zinc/46/75/73/480467573.db2.gz MIJOOEYWTANZNA-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000634724383 480467677 /nfs/dbraw/zinc/46/76/77/480467677.db2.gz OWDRCLRGVWKYRU-BMFZPTHFSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC(F)(F)F ZINC000634724383 480467682 /nfs/dbraw/zinc/46/76/82/480467682.db2.gz OWDRCLRGVWKYRU-BMFZPTHFSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC(F)(F)F ZINC000634724383 480467689 /nfs/dbraw/zinc/46/76/89/480467689.db2.gz OWDRCLRGVWKYRU-BMFZPTHFSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623832295 480475760 /nfs/dbraw/zinc/47/57/60/480475760.db2.gz UZCDPFFELYFDPU-WBVHZDCISA-N 1 3 325.447 2.826 20 0 EFADHO C[C@@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623832295 480475768 /nfs/dbraw/zinc/47/57/68/480475768.db2.gz UZCDPFFELYFDPU-WBVHZDCISA-N 1 3 325.447 2.826 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000629962299 480476640 /nfs/dbraw/zinc/47/66/40/480476640.db2.gz SZDCUIKDDDMAEH-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629963537 480476743 /nfs/dbraw/zinc/47/67/43/480476743.db2.gz ONPRXBXIOUSSBA-XLIONFOSSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629963537 480476746 /nfs/dbraw/zinc/47/67/46/480476746.db2.gz ONPRXBXIOUSSBA-XLIONFOSSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629971207 480483849 /nfs/dbraw/zinc/48/38/49/480483849.db2.gz CHYICGJGANVUBE-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629971207 480483855 /nfs/dbraw/zinc/48/38/55/480483855.db2.gz CHYICGJGANVUBE-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)N2CCCC2)c1 ZINC000638051479 480494310 /nfs/dbraw/zinc/49/43/10/480494310.db2.gz IWVYDNBHMFZZJM-OALUTQOASA-N 1 3 347.503 2.712 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CN(C)C3CCC3)C2)s1 ZINC000629991338 480498339 /nfs/dbraw/zinc/49/83/39/480498339.db2.gz WOMHGTGWPXJRGU-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CN(C)C3CCC3)C2)s1 ZINC000629991338 480498347 /nfs/dbraw/zinc/49/83/47/480498347.db2.gz WOMHGTGWPXJRGU-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCC1 ZINC000629992235 480499038 /nfs/dbraw/zinc/49/90/38/480499038.db2.gz PHYIMBJFDYVEPQ-NRFANRHFSA-N 1 3 341.499 2.595 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCC1 ZINC000629992235 480499043 /nfs/dbraw/zinc/49/90/43/480499043.db2.gz PHYIMBJFDYVEPQ-NRFANRHFSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1csc([C@@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000623881040 480501232 /nfs/dbraw/zinc/50/12/32/480501232.db2.gz BHKMUHSIXMQVPK-MRXNPFEDSA-N 1 3 345.516 2.709 20 0 EFADHO Cc1cccc([C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)c1 ZINC000623888646 480504986 /nfs/dbraw/zinc/50/49/86/480504986.db2.gz OLPOCZITPWUCKS-OALUTQOASA-N 1 3 331.504 2.869 20 0 EFADHO Cc1cccc([C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)c1 ZINC000623888646 480504990 /nfs/dbraw/zinc/50/49/90/480504990.db2.gz OLPOCZITPWUCKS-OALUTQOASA-N 1 3 331.504 2.869 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000638064792 480506317 /nfs/dbraw/zinc/50/63/17/480506317.db2.gz XBDYRBVGBXXDRK-IBGZPJMESA-N 1 3 331.504 2.573 20 0 EFADHO CO[C@H]1CN[C@](C)(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000638064785 480506563 /nfs/dbraw/zinc/50/65/63/480506563.db2.gz WXUNHCGFGKJULE-QUCCMNQESA-N 1 3 345.487 2.624 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000638080924 480519871 /nfs/dbraw/zinc/51/98/71/480519871.db2.gz FDYFRTKFNCGSSD-IBGZPJMESA-N 1 3 331.504 2.778 20 0 EFADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000638087564 480525391 /nfs/dbraw/zinc/52/53/91/480525391.db2.gz TXBDCMCDQVKWFV-UYAOXDASSA-N 1 3 345.487 2.768 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623966705 480545698 /nfs/dbraw/zinc/54/56/98/480545698.db2.gz LICARIYPCASGNR-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623966705 480545706 /nfs/dbraw/zinc/54/57/06/480545706.db2.gz LICARIYPCASGNR-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO c1cnc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc2n1 ZINC000638125923 480553636 /nfs/dbraw/zinc/55/36/36/480553636.db2.gz NBMFOBIEPVLXKI-UHFFFAOYSA-N 1 3 340.471 2.707 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CCC(C)C)cc2)CC1 ZINC000638135827 480560220 /nfs/dbraw/zinc/56/02/20/480560220.db2.gz CRPSQQXQJJJUDU-IBGZPJMESA-N 1 3 346.519 2.526 20 0 EFADHO CC[C@H](C)[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638152538 480568530 /nfs/dbraw/zinc/56/85/30/480568530.db2.gz LTQNJHWVWUOWQA-PKOBYXMFSA-N 1 3 325.541 2.538 20 0 EFADHO COc1cccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)OC)c1 ZINC000624032746 480576606 /nfs/dbraw/zinc/57/66/06/480576606.db2.gz XGFOBOVEBZMTLX-VQTJNVASSA-N 1 3 348.487 2.616 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000644842972 480606444 /nfs/dbraw/zinc/60/64/44/480606444.db2.gz CBAUUKZEZIFDFZ-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO CC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000638231380 480616291 /nfs/dbraw/zinc/61/62/91/480616291.db2.gz LMINIWUCVMFXSL-ZDUSSCGKSA-N 1 3 345.409 2.594 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119818 480618866 /nfs/dbraw/zinc/61/88/66/480618866.db2.gz KKNOPLHKGJKZNC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119818 480618870 /nfs/dbraw/zinc/61/88/70/480618870.db2.gz KKNOPLHKGJKZNC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119818 480618877 /nfs/dbraw/zinc/61/88/77/480618877.db2.gz KKNOPLHKGJKZNC-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000624122693 480620109 /nfs/dbraw/zinc/62/01/09/480620109.db2.gz YTRIQQIBKIAXNX-QKNQBKEWSA-N 1 3 345.531 2.770 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc2C1 ZINC000624122637 480621246 /nfs/dbraw/zinc/62/12/46/480621246.db2.gz XINDKTMJEGWTNU-FXAWDEMLSA-N 1 3 329.488 2.801 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C ZINC000627033676 480630877 /nfs/dbraw/zinc/63/08/77/480630877.db2.gz PZJKAUMWXHTETE-NJAFHUGGSA-N 1 3 344.503 2.570 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C ZINC000627033678 480631794 /nfs/dbraw/zinc/63/17/94/480631794.db2.gz PZJKAUMWXHTETE-SZMVWBNQSA-N 1 3 344.503 2.570 20 0 EFADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCCC1 ZINC000638274967 480639345 /nfs/dbraw/zinc/63/93/45/480639345.db2.gz RCUMAKNFDQDWLY-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355043 480640035 /nfs/dbraw/zinc/64/00/35/480640035.db2.gz NOKBUKWJQIHASZ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355043 480640040 /nfs/dbraw/zinc/64/00/40/480640040.db2.gz NOKBUKWJQIHASZ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H]([NH3+])CCC(C)C)cc1 ZINC000638315114 480662732 /nfs/dbraw/zinc/66/27/32/480662732.db2.gz LYWXLUVXSJJYAK-MOPGFXCFSA-N 1 3 347.503 2.712 20 0 EFADHO O=C1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCN1 ZINC000634960038 480664119 /nfs/dbraw/zinc/66/41/19/480664119.db2.gz IOJGVCHYCUWNPW-KRWDZBQOSA-N 1 3 349.906 2.810 20 0 EFADHO CC(C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Nc1ccccc1 ZINC000638333404 480669046 /nfs/dbraw/zinc/66/90/46/480669046.db2.gz UBGKETWBVXJXKV-LJQANCHMSA-N 1 3 333.520 2.948 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638351985 480678587 /nfs/dbraw/zinc/67/85/87/480678587.db2.gz NLZDPEZDWTUSNC-HKUYNNGSSA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638351985 480678589 /nfs/dbraw/zinc/67/85/89/480678589.db2.gz NLZDPEZDWTUSNC-HKUYNNGSSA-N 1 3 329.488 2.859 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000635874226 480679289 /nfs/dbraw/zinc/67/92/89/480679289.db2.gz FKQGQRJKDHZTBF-GOSISDBHSA-N 1 3 331.504 2.603 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000635874226 480679293 /nfs/dbraw/zinc/67/92/93/480679293.db2.gz FKQGQRJKDHZTBF-GOSISDBHSA-N 1 3 331.504 2.603 20 0 EFADHO Cc1cc2cc(C[N@@H+]3CC[C@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000634999897 480682020 /nfs/dbraw/zinc/68/20/20/480682020.db2.gz BVWIUWTVQJOAHC-INIZCTEOSA-N 1 3 325.416 2.547 20 0 EFADHO Cc1cc2cc(C[N@H+]3CC[C@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000634999897 480682022 /nfs/dbraw/zinc/68/20/22/480682022.db2.gz BVWIUWTVQJOAHC-INIZCTEOSA-N 1 3 325.416 2.547 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000634999916 480682046 /nfs/dbraw/zinc/68/20/46/480682046.db2.gz CFKBNGDMIHNCFG-OAHLLOKOSA-N 1 3 339.365 2.511 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](n2cc(CN)nn2)C1 ZINC000634999916 480682052 /nfs/dbraw/zinc/68/20/52/480682052.db2.gz CFKBNGDMIHNCFG-OAHLLOKOSA-N 1 3 339.365 2.511 20 0 EFADHO COCCN(C)CCC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638358760 480682849 /nfs/dbraw/zinc/68/28/49/480682849.db2.gz CAZCRSBISNDKET-PZJWPPBQSA-N 1 3 345.531 2.912 20 0 EFADHO COCCN(C)CCC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638358759 480682953 /nfs/dbraw/zinc/68/29/53/480682953.db2.gz CAZCRSBISNDKET-FPOVZHCZSA-N 1 3 345.531 2.912 20 0 EFADHO Fc1ccc2c(c1)OCCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006154 480683751 /nfs/dbraw/zinc/68/37/51/480683751.db2.gz ATFDIYXLBCARMO-QGZVFWFLSA-N 1 3 342.418 2.956 20 0 EFADHO Fc1ccc2c(c1)OCCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635006113 480683883 /nfs/dbraw/zinc/68/38/83/480683883.db2.gz ATFDIYXLBCARMO-KRWDZBQOSA-N 1 3 342.418 2.956 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccnn1-c1ccccc1 ZINC000635008869 480684884 /nfs/dbraw/zinc/68/48/84/480684884.db2.gz LAFLRSKJYFIYMZ-MRXNPFEDSA-N 1 3 348.454 2.850 20 0 EFADHO Fc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCCO2 ZINC000635007997 480685466 /nfs/dbraw/zinc/68/54/66/480685466.db2.gz HVHMUVVYXTYQDJ-KRWDZBQOSA-N 1 3 342.418 2.956 20 0 EFADHO COc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635008488 480685571 /nfs/dbraw/zinc/68/55/71/480685571.db2.gz KCNURIKDQUEIKE-LJQANCHMSA-N 1 3 338.455 2.989 20 0 EFADHO CO[C@@H](c1ccccc1)[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011110 480686274 /nfs/dbraw/zinc/68/62/74/480686274.db2.gz XOIWKPJCGYKPRS-HNAYVOBHSA-N 1 3 326.444 2.679 20 0 EFADHO C[C@H](NCc1cccc2c1CC[NH2+]C2)c1ccc(S(C)(=O)=O)cc1 ZINC000635010852 480687029 /nfs/dbraw/zinc/68/70/29/480687029.db2.gz NPOANJXWBQPCGB-AWEZNQCLSA-N 1 3 344.480 2.587 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000635013756 480688283 /nfs/dbraw/zinc/68/82/83/480688283.db2.gz IGMOARZYCCWMJE-POZUXBRTSA-N 1 3 332.875 2.964 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635014068 480689603 /nfs/dbraw/zinc/68/96/03/480689603.db2.gz LRHSQUCPYWLLHV-SWLSCSKDSA-N 1 3 333.863 2.929 20 0 EFADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000635013824 480690218 /nfs/dbraw/zinc/69/02/18/480690218.db2.gz WLBUPLYZFHWWDV-BFHYXJOUSA-N 1 3 330.398 2.802 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)ccn1 ZINC000638379834 480696019 /nfs/dbraw/zinc/69/60/19/480696019.db2.gz OYDXOASDBOIWDK-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO CC[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(C)c1 ZINC000638380997 480697144 /nfs/dbraw/zinc/69/71/44/480697144.db2.gz GVDIDSBQENKZRB-SFHVURJKSA-N 1 3 334.504 2.977 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)ccn1 ZINC000638381997 480697364 /nfs/dbraw/zinc/69/73/64/480697364.db2.gz PYVSVMQXSZDRPT-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]CCC3CCOCC3)CC2)cc1 ZINC000638386899 480700521 /nfs/dbraw/zinc/70/05/21/480700521.db2.gz SJMVYGIOUDRSKJ-UHFFFAOYSA-N 1 3 345.531 2.995 20 0 EFADHO CC[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)OCCO2 ZINC000638400119 480705829 /nfs/dbraw/zinc/70/58/29/480705829.db2.gz HHZJKRQFIHXEPI-KRWDZBQOSA-N 1 3 348.487 2.734 20 0 EFADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638402366 480706902 /nfs/dbraw/zinc/70/69/02/480706902.db2.gz OBUGNMHLABJIBC-HKUYNNGSSA-N 1 3 329.488 2.860 20 0 EFADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638402366 480706908 /nfs/dbraw/zinc/70/69/08/480706908.db2.gz OBUGNMHLABJIBC-HKUYNNGSSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@@H]([NH2+]CCN(C)CC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624326552 480710397 /nfs/dbraw/zinc/71/03/97/480710397.db2.gz OMUDFKRECPYSBM-WBVHZDCISA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H](NCCN(C)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624326552 480710403 /nfs/dbraw/zinc/71/04/03/480710403.db2.gz OMUDFKRECPYSBM-WBVHZDCISA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H](NCCN(C)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624326552 480710408 /nfs/dbraw/zinc/71/04/08/480710408.db2.gz OMUDFKRECPYSBM-WBVHZDCISA-N 1 3 325.447 2.684 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645165405 480725319 /nfs/dbraw/zinc/72/53/19/480725319.db2.gz LVMZVJCTHRRIIC-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCN(C)C1 ZINC000645165405 480725328 /nfs/dbraw/zinc/72/53/28/480725328.db2.gz LVMZVJCTHRRIIC-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CNC(=O)CC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638443813 480728389 /nfs/dbraw/zinc/72/83/89/480728389.db2.gz TWVUDVWJBMOAMN-HXUWFJFHSA-N 1 3 331.504 2.651 20 0 EFADHO CNC(=O)CCNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638443813 480728392 /nfs/dbraw/zinc/72/83/92/480728392.db2.gz TWVUDVWJBMOAMN-HXUWFJFHSA-N 1 3 331.504 2.651 20 0 EFADHO CNC(=O)CCNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638443813 480728397 /nfs/dbraw/zinc/72/83/97/480728397.db2.gz TWVUDVWJBMOAMN-HXUWFJFHSA-N 1 3 331.504 2.651 20 0 EFADHO CCCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645199846 480740229 /nfs/dbraw/zinc/74/02/29/480740229.db2.gz VRPXKESTOJGWTE-LMMKCTJWSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645204731 480742102 /nfs/dbraw/zinc/74/21/02/480742102.db2.gz PROWVOQGYTUZGS-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645204731 480742105 /nfs/dbraw/zinc/74/21/05/480742105.db2.gz PROWVOQGYTUZGS-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)Cc1ccc(F)c(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)c1 ZINC000630501500 480754267 /nfs/dbraw/zinc/75/42/67/480754267.db2.gz UQOLZIBNUPABAT-FQEVSTJZSA-N 1 3 328.431 2.733 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)c1cccc(OC)c1 ZINC000635189140 480765362 /nfs/dbraw/zinc/76/53/62/480765362.db2.gz PWQQUCPXMFDVJD-SFHVURJKSA-N 1 3 347.503 2.536 20 0 EFADHO O=C1C[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCCN1 ZINC000638530446 480766254 /nfs/dbraw/zinc/76/62/54/480766254.db2.gz LOWBNSQIKFOGDL-KRWDZBQOSA-N 1 3 349.906 2.810 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3C[C@@H](OC(C)(C)C)C34CCC4)C2)CC1 ZINC000638586184 480787955 /nfs/dbraw/zinc/78/79/55/480787955.db2.gz KLVVSVMXMRXKAU-YTQUADARSA-N 1 3 349.563 2.871 20 0 EFADHO CC(C)O[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000638588420 480789196 /nfs/dbraw/zinc/78/91/96/480789196.db2.gz LOFLFKRDSPIKQU-FPOVZHCZSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@H](NC(C)(C)C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638602426 480794929 /nfs/dbraw/zinc/79/49/29/480794929.db2.gz UBHYILPSFWVTNL-KRWDZBQOSA-N 1 3 347.547 2.941 20 0 EFADHO O=C1C[C@H](NCc2ccccc2C[NH+]2CCCCCC2)CCCN1 ZINC000638610451 480797936 /nfs/dbraw/zinc/79/79/36/480797936.db2.gz QRUUASBQQAFXQK-LJQANCHMSA-N 1 3 329.488 2.821 20 0 EFADHO CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC000627619900 480803890 /nfs/dbraw/zinc/80/38/90/480803890.db2.gz YOWQYSIGCKCNJD-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624556416 480816697 /nfs/dbraw/zinc/81/66/97/480816697.db2.gz OWVWORCFPGMCDN-LCLWPZTBSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624556416 480816707 /nfs/dbraw/zinc/81/67/07/480816707.db2.gz OWVWORCFPGMCDN-LCLWPZTBSA-N 1 3 343.515 2.568 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 ZINC000632953216 480820151 /nfs/dbraw/zinc/82/01/51/480820151.db2.gz QEPSRXABKZDHIH-UHFFFAOYSA-N 1 3 342.447 2.561 20 0 EFADHO CC[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(F)c1 ZINC000638722116 480841327 /nfs/dbraw/zinc/84/13/27/480841327.db2.gz ZXZQUWIZQFZHNM-KRWDZBQOSA-N 1 3 338.467 2.808 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000633010795 480846500 /nfs/dbraw/zinc/84/65/00/480846500.db2.gz ZYWGRQZXOXSLNL-MSOLQXFVSA-N 1 3 344.503 2.610 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)NC2CCC([NH3+])CC2)CCC1 ZINC000633018870 480850090 /nfs/dbraw/zinc/85/00/90/480850090.db2.gz LVJUVLYEQPQKKT-UHFFFAOYSA-N 1 3 344.503 2.610 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000645472583 480856302 /nfs/dbraw/zinc/85/63/02/480856302.db2.gz MOUJDOGRAFJPRX-FPOVZHCZSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635412286 480862123 /nfs/dbraw/zinc/86/21/23/480862123.db2.gz QHFCJZCWISMPNO-IEBWSBKVSA-N 1 3 341.499 2.814 20 0 EFADHO CCN1CCC[C@@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633083666 480876414 /nfs/dbraw/zinc/87/64/14/480876414.db2.gz XSFUVYUVUUOLJB-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCC(C)CC1 ZINC000624712129 480876535 /nfs/dbraw/zinc/87/65/35/480876535.db2.gz CMMDAGMJYYOQKK-YZGWKJHDSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCC(C)CC1 ZINC000624712129 480876542 /nfs/dbraw/zinc/87/65/42/480876542.db2.gz CMMDAGMJYYOQKK-YZGWKJHDSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCC(C)CC1 ZINC000624712128 480876607 /nfs/dbraw/zinc/87/66/07/480876607.db2.gz CMMDAGMJYYOQKK-YSIASYRMSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCC(C)CC1 ZINC000624712128 480876616 /nfs/dbraw/zinc/87/66/16/480876616.db2.gz CMMDAGMJYYOQKK-YSIASYRMSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000638807102 480877783 /nfs/dbraw/zinc/87/77/83/480877783.db2.gz PHTBLGKGFYWNAD-FXAWDEMLSA-N 1 3 346.515 2.979 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645526113 480880866 /nfs/dbraw/zinc/88/08/66/480880866.db2.gz DLPAQWBARNNYAA-MDZRGWNJSA-N 1 3 343.515 2.779 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000638816217 480881920 /nfs/dbraw/zinc/88/19/20/480881920.db2.gz FRBXKZFDLXUNSY-KRWDZBQOSA-N 1 3 349.494 2.619 20 0 EFADHO CN(C)C[C@H](NC(=O)CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638833448 480889228 /nfs/dbraw/zinc/88/92/28/480889228.db2.gz XQTRFKDITXSWLJ-ZDUSSCGKSA-N 1 3 331.382 2.552 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833668 480889334 /nfs/dbraw/zinc/88/93/34/480889334.db2.gz ASHZPEAGZADEJM-AEFFLSMTSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833668 480889338 /nfs/dbraw/zinc/88/93/38/480889338.db2.gz ASHZPEAGZADEJM-AEFFLSMTSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833671 480889470 /nfs/dbraw/zinc/88/94/70/480889470.db2.gz ASHZPEAGZADEJM-WMZOPIPTSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833671 480889474 /nfs/dbraw/zinc/88/94/74/480889474.db2.gz ASHZPEAGZADEJM-WMZOPIPTSA-N 1 3 329.488 2.532 20 0 EFADHO CO[C@@H](c1ccc(F)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638837128 480890417 /nfs/dbraw/zinc/89/04/17/480890417.db2.gz OSGLUGJPUFUYGU-KBXCAEBGSA-N 1 3 338.467 2.727 20 0 EFADHO O=C(NCc1cccc2c1CC[NH2+]C2)c1cccc(CN2CCCC2)c1 ZINC000638843202 480892398 /nfs/dbraw/zinc/89/23/98/480892398.db2.gz CHZQPYPIXHDWNN-UHFFFAOYSA-N 1 3 349.478 2.858 20 0 EFADHO CC(C)(C(=O)NCc1cccc2c1CC[NH2+]C2)[C@@H](N)c1ccccc1 ZINC000638845716 480894060 /nfs/dbraw/zinc/89/40/60/480894060.db2.gz JBYWZGRKFNFKBG-IBGZPJMESA-N 1 3 337.467 2.675 20 0 EFADHO CCN1CCN(CCC[NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638852487 480897052 /nfs/dbraw/zinc/89/70/52/480897052.db2.gz GUWGSQMASZPZNE-HXUWFJFHSA-N 1 3 333.520 2.770 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638854249 480897860 /nfs/dbraw/zinc/89/78/60/480897860.db2.gz OGZGAJOQKXZEHA-QRQLOZEOSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638854249 480897862 /nfs/dbraw/zinc/89/78/62/480897862.db2.gz OGZGAJOQKXZEHA-QRQLOZEOSA-N 1 3 331.504 2.634 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638876954 480905303 /nfs/dbraw/zinc/90/53/03/480905303.db2.gz KLRRTCYFXBKHMI-UHFFFAOYSA-N 1 3 348.441 2.629 20 0 EFADHO CN1CCC(n2cc(NC(=O)CC[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000638977235 480923899 /nfs/dbraw/zinc/92/38/99/480923899.db2.gz JMGJXCQHEUIDBF-GOSISDBHSA-N 1 3 341.459 2.569 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000639001945 480927903 /nfs/dbraw/zinc/92/79/03/480927903.db2.gz SCUDFXPYHGNEDK-FPOVZHCZSA-N 1 3 349.478 2.573 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000639002137 480928470 /nfs/dbraw/zinc/92/84/70/480928470.db2.gz XOSXQXDAHKKOAW-CTNGQTDRSA-N 1 3 349.478 2.920 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000645786931 480931222 /nfs/dbraw/zinc/93/12/22/480931222.db2.gz LDCCCDYKBATSCR-SBHAEUEKSA-N 1 3 343.515 2.922 20 0 EFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCN1 ZINC000639039112 480933715 /nfs/dbraw/zinc/93/37/15/480933715.db2.gz PYDHIWMQMHUBNV-MTQWCTHYSA-N 1 3 341.499 2.545 20 0 EFADHO CC1(C)CN[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000645802059 480934157 /nfs/dbraw/zinc/93/41/57/480934157.db2.gz JFXVWNVAGCRZFS-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3NCC3(C)C)ccc21 ZINC000645810742 480935141 /nfs/dbraw/zinc/93/51/41/480935141.db2.gz WNYHQEMHTNRQKN-SFHVURJKSA-N 1 3 342.487 2.920 20 0 EFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000647483087 480961090 /nfs/dbraw/zinc/96/10/90/480961090.db2.gz YCPQFDSGEJZUNL-KRWDZBQOSA-N 1 3 328.460 2.953 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)N1 ZINC000639114793 480962072 /nfs/dbraw/zinc/96/20/72/480962072.db2.gz HIFJCBWESILTFN-SCTDSRPQSA-N 1 3 327.472 2.613 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)N1 ZINC000639114793 480962076 /nfs/dbraw/zinc/96/20/76/480962076.db2.gz HIFJCBWESILTFN-SCTDSRPQSA-N 1 3 327.472 2.613 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666616099 480983816 /nfs/dbraw/zinc/98/38/16/480983816.db2.gz OOBBZEQCUNOBCH-MSOLQXFVSA-N 1 3 331.504 2.509 20 0 EFADHO CC1(C)CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCN1CCO ZINC000664043676 480989579 /nfs/dbraw/zinc/98/95/79/480989579.db2.gz OJHCVRSELQWUEG-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO Cn1c2ccc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2sc1=O ZINC000647544045 480993656 /nfs/dbraw/zinc/99/36/56/480993656.db2.gz VUXLBAJSFUNGAH-CVEARBPZSA-N 1 3 345.512 2.812 20 0 EFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1OC ZINC000647543337 480993711 /nfs/dbraw/zinc/99/37/11/480993711.db2.gz LFAFIPSQYCVRIR-CVEARBPZSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543070 480994030 /nfs/dbraw/zinc/99/40/30/480994030.db2.gz HFAIZFZRRYLAIT-HOTGVXAUSA-N 1 3 334.460 2.621 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647551558 480996732 /nfs/dbraw/zinc/99/67/32/480996732.db2.gz VDFOKKFJUVJCHJ-ZIFCJYIRSA-N 1 3 328.504 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000647553380 480999079 /nfs/dbraw/zinc/99/90/79/480999079.db2.gz YCLHJISNVRWGEW-CQSZACIVSA-N 1 3 327.428 2.661 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639171721 481017566 /nfs/dbraw/zinc/01/75/66/481017566.db2.gz YCWAYXHFSCMCRZ-SJLPKXTDSA-N 1 3 333.524 2.502 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639171721 481017570 /nfs/dbraw/zinc/01/75/70/481017570.db2.gz YCWAYXHFSCMCRZ-SJLPKXTDSA-N 1 3 333.524 2.502 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666667955 481024108 /nfs/dbraw/zinc/02/41/08/481024108.db2.gz OXPZJMJUEPALEK-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666667955 481024113 /nfs/dbraw/zinc/02/41/13/481024113.db2.gz OXPZJMJUEPALEK-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641709288 481024918 /nfs/dbraw/zinc/02/49/18/481024918.db2.gz AJKPFMFNRSBACJ-GOSISDBHSA-N 1 3 333.520 2.714 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000664110381 481027306 /nfs/dbraw/zinc/02/73/06/481027306.db2.gz WHVVCBISFHZVBJ-AEFFLSMTSA-N 1 3 346.519 2.899 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccsc1 ZINC000669279403 481030455 /nfs/dbraw/zinc/03/04/55/481030455.db2.gz DXDTWZYWNRRABC-HNNXBMFYSA-N 1 3 338.521 2.654 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)NCc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000669297579 481040271 /nfs/dbraw/zinc/04/02/71/481040271.db2.gz JMHYCBBFAOIKDI-LJQANCHMSA-N 1 3 344.503 2.600 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000666756998 481083486 /nfs/dbraw/zinc/08/34/86/481083486.db2.gz XRONVGCDMKUGSL-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653109937 481085075 /nfs/dbraw/zinc/08/50/75/481085075.db2.gz RZEKZRUCQCDRTR-RTBURBONSA-N 1 3 329.488 2.720 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000666759634 481085093 /nfs/dbraw/zinc/08/50/93/481085093.db2.gz HEOYXHNSCVQTDX-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000666759634 481085099 /nfs/dbraw/zinc/08/50/99/481085099.db2.gz HEOYXHNSCVQTDX-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000666760700 481085602 /nfs/dbraw/zinc/08/56/02/481085602.db2.gz NDJTZMDORMVAOX-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000666760700 481085607 /nfs/dbraw/zinc/08/56/07/481085607.db2.gz NDJTZMDORMVAOX-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646106384 481094180 /nfs/dbraw/zinc/09/41/80/481094180.db2.gz WPKFHDPOKZFYTP-ZWKOTPCHSA-N 1 3 331.504 2.744 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000646105877 481095269 /nfs/dbraw/zinc/09/52/69/481095269.db2.gz KLUVYFFCJAMCNB-GGPKGHCWSA-N 1 3 329.488 2.627 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641812068 481095417 /nfs/dbraw/zinc/09/54/17/481095417.db2.gz FRWLMIKBUGEUBS-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000653129095 481097555 /nfs/dbraw/zinc/09/75/55/481097555.db2.gz QBHJOONHXMWSMZ-UONOGXRCSA-N 1 3 346.349 2.710 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000653129093 481097767 /nfs/dbraw/zinc/09/77/67/481097767.db2.gz QBHJOONHXMWSMZ-KBPBESRZSA-N 1 3 346.349 2.710 20 0 EFADHO CC(C)([NH3+])CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000641814362 481098759 /nfs/dbraw/zinc/09/87/59/481098759.db2.gz CDRXGFDYRVJSHO-UHFFFAOYSA-N 1 3 348.491 2.800 20 0 EFADHO NCc1cc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc(C(F)(F)F)c1 ZINC000653136647 481102370 /nfs/dbraw/zinc/10/23/70/481102370.db2.gz ZAQSMILVTQXCOF-KBPBESRZSA-N 1 3 327.350 2.633 20 0 EFADHO c1cn(CCCc2ccccc2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788775 481106477 /nfs/dbraw/zinc/10/64/77/481106477.db2.gz QQAGANBOSKCVNF-SLFFLAALSA-N 1 3 338.499 2.994 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791641 481107659 /nfs/dbraw/zinc/10/76/59/481107659.db2.gz JQLGCZGAAASHAI-OUCADQQQSA-N 1 3 339.277 2.935 20 0 EFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647831028 481128993 /nfs/dbraw/zinc/12/89/93/481128993.db2.gz FNCZZNYFZRKGMP-SUMDDJOVSA-N 1 3 347.478 2.589 20 0 EFADHO CN(CCC[NH3+])CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000647849023 481135635 /nfs/dbraw/zinc/13/56/35/481135635.db2.gz DXSLJOFRGJWRJJ-UHFFFAOYSA-N 1 3 325.456 2.563 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)CC1 ZINC000661578024 481142878 /nfs/dbraw/zinc/14/28/78/481142878.db2.gz HYUAYAULHPAVGS-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCN(CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)Cc1ccccc1 ZINC000653200667 481146860 /nfs/dbraw/zinc/14/68/60/481146860.db2.gz LQTYCPSZRSEFTC-PZJWPPBQSA-N 1 3 343.515 2.795 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000669479684 481147632 /nfs/dbraw/zinc/14/76/32/481147632.db2.gz IWXGPXKPEQYZIY-RDJZCZTQSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000669479667 481147843 /nfs/dbraw/zinc/14/78/43/481147843.db2.gz CQJZYTVEGZORTB-HNNXBMFYSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000669479716 481147866 /nfs/dbraw/zinc/14/78/66/481147866.db2.gz QJKNCMLDCPMTAL-CGTJXYLNSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483586 481150110 /nfs/dbraw/zinc/15/01/10/481150110.db2.gz BXNAOVJHZDADSI-WMZOPIPTSA-N 1 3 332.492 2.640 20 0 EFADHO [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483601 481150779 /nfs/dbraw/zinc/15/07/79/481150779.db2.gz CXSWGBNRYQDPDO-BHIYHBOVSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483602 481151234 /nfs/dbraw/zinc/15/12/34/481151234.db2.gz CXSWGBNRYQDPDO-NEWSRXKRSA-N 1 3 344.503 2.640 20 0 EFADHO O=C(NC[C@H]1CCC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483860 481152339 /nfs/dbraw/zinc/15/23/39/481152339.db2.gz PPXYRUYRRKPRID-PKOBYXMFSA-N 1 3 344.503 2.512 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483978 481153089 /nfs/dbraw/zinc/15/30/89/481153089.db2.gz WNLZSAHLCWXUMK-AEFFLSMTSA-N 1 3 332.492 2.511 20 0 EFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359172 481153369 /nfs/dbraw/zinc/15/33/69/481153369.db2.gz IKJMFJZWJHAXBQ-DUXKGJEZSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359172 481153375 /nfs/dbraw/zinc/15/33/75/481153375.db2.gz IKJMFJZWJHAXBQ-DUXKGJEZSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000639359172 481153381 /nfs/dbraw/zinc/15/33/81/481153381.db2.gz IKJMFJZWJHAXBQ-DUXKGJEZSA-N 1 3 346.515 2.786 20 0 EFADHO CCN(CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000647884999 481155121 /nfs/dbraw/zinc/15/51/21/481155121.db2.gz VMOQMGSQVZMURB-IBGZPJMESA-N 1 3 329.488 2.894 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCCc1cnn(C)c1 ZINC000639360545 481155286 /nfs/dbraw/zinc/15/52/86/481155286.db2.gz XOEXJHQRAUBXMY-XLIONFOSSA-N 1 3 326.488 2.710 20 0 EFADHO CCCN(C[C@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647882823 481155865 /nfs/dbraw/zinc/15/58/65/481155865.db2.gz CBRCQHBHKQQLHX-KRWDZBQOSA-N 1 3 329.488 2.613 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000669491105 481157790 /nfs/dbraw/zinc/15/77/90/481157790.db2.gz MDORXLSGLXTKKY-OALUTQOASA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000669491105 481157798 /nfs/dbraw/zinc/15/77/98/481157798.db2.gz MDORXLSGLXTKKY-OALUTQOASA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000669510431 481171993 /nfs/dbraw/zinc/17/19/93/481171993.db2.gz HRACGDRHATZOJA-VQTJNVASSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000669510429 481172177 /nfs/dbraw/zinc/17/21/77/481172177.db2.gz HRACGDRHATZOJA-PMACEKPBSA-N 1 3 339.483 2.886 20 0 EFADHO C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H]1CC[NH3+] ZINC000653239633 481172824 /nfs/dbraw/zinc/17/28/24/481172824.db2.gz CPOMGUVUFZBPJM-YLJYHZDGSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@@H]1CC[NH3+] ZINC000653239630 481173094 /nfs/dbraw/zinc/17/30/94/481173094.db2.gz CPOMGUVUFZBPJM-FXAWDEMLSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H]1CC[NH3+] ZINC000653240425 481173291 /nfs/dbraw/zinc/17/32/91/481173291.db2.gz NRTUNNVGFKBFAV-LPHOPBHVSA-N 1 3 329.488 2.872 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000669519572 481176537 /nfs/dbraw/zinc/17/65/37/481176537.db2.gz IVGMXVBTCZNHOQ-NQYYFHDYSA-N 1 3 329.488 2.561 20 0 EFADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCCCN1 ZINC000653253355 481180835 /nfs/dbraw/zinc/18/08/35/481180835.db2.gz QUMIDUSNVANNSR-QGZVFWFLSA-N 1 3 333.501 2.955 20 0 EFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC(C)(C)[NH3+] ZINC000646254437 481185146 /nfs/dbraw/zinc/18/51/46/481185146.db2.gz RHCNLPRQHQSWOL-UHFFFAOYSA-N 1 3 345.409 2.723 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000664341944 481189011 /nfs/dbraw/zinc/18/90/11/481189011.db2.gz NXHBRWUEJHZCRW-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO FC(F)(F)c1ccn(CC[NH2+]C2CCN(c3ccncc3)CC2)n1 ZINC000639397041 481189744 /nfs/dbraw/zinc/18/97/44/481189744.db2.gz HOCYEKAIAWIPFR-UHFFFAOYSA-N 1 3 339.365 2.556 20 0 EFADHO CC[C@@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000647936842 481193783 /nfs/dbraw/zinc/19/37/83/481193783.db2.gz MCIFKHKYGFRIHL-SJLPKXTDSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1N ZINC000647936842 481193789 /nfs/dbraw/zinc/19/37/89/481193789.db2.gz MCIFKHKYGFRIHL-SJLPKXTDSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1N ZINC000647936842 481193797 /nfs/dbraw/zinc/19/37/97/481193797.db2.gz MCIFKHKYGFRIHL-SJLPKXTDSA-N 1 3 342.491 2.570 20 0 EFADHO C[C@@H](Cn1cccn1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642341706 481196948 /nfs/dbraw/zinc/19/69/48/481196948.db2.gz OQWDFZAAMUZOMY-KRWDZBQOSA-N 1 3 328.460 2.536 20 0 EFADHO CC[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000647938747 481199729 /nfs/dbraw/zinc/19/97/29/481199729.db2.gz SZMXXESZFLOYBO-BXUZGUMPSA-N 1 3 327.831 2.867 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000647960020 481211183 /nfs/dbraw/zinc/21/11/83/481211183.db2.gz ZYGDSEOIFKCLBH-MRXNPFEDSA-N 1 3 328.884 2.742 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000647960020 481211189 /nfs/dbraw/zinc/21/11/89/481211189.db2.gz ZYGDSEOIFKCLBH-MRXNPFEDSA-N 1 3 328.884 2.742 20 0 EFADHO COc1ccc(CN[C@@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950882 481215601 /nfs/dbraw/zinc/21/56/01/481215601.db2.gz OTUVLORANQOPAE-CQSZACIVSA-N 1 3 325.250 2.689 20 0 EFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647975237 481225380 /nfs/dbraw/zinc/22/53/80/481225380.db2.gz RXJYSZLMARJWLK-QZTJIDSGSA-N 1 3 329.488 2.954 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000669583448 481225397 /nfs/dbraw/zinc/22/53/97/481225397.db2.gz CUZJMQKZRSHBPZ-WBVHZDCISA-N 1 3 332.492 2.509 20 0 EFADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974932 481225569 /nfs/dbraw/zinc/22/55/69/481225569.db2.gz CDFDDZQROZAGBQ-ROUUACIJSA-N 1 3 329.488 2.751 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1cccc(Cl)c1 ZINC000647974889 481225981 /nfs/dbraw/zinc/22/59/81/481225981.db2.gz AMVYLONNIYGXLM-IAGOWNOFSA-N 1 3 349.906 2.668 20 0 EFADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[C@H]1C ZINC000647975273 481226127 /nfs/dbraw/zinc/22/61/27/481226127.db2.gz UIUZRNWPYMBYIH-BCYZHJNNSA-N 1 3 335.536 2.639 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975511 481228280 /nfs/dbraw/zinc/22/82/80/481228280.db2.gz BFWQUJQUBPPTIM-GGPKGHCWSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975736 481228496 /nfs/dbraw/zinc/22/84/96/481228496.db2.gz FJNWOGUESRUJEL-ZACQAIPSSA-N 1 3 349.544 2.507 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975602 481228728 /nfs/dbraw/zinc/22/87/28/481228728.db2.gz CNQZTPDUJMXANN-IRXDYDNUSA-N 1 3 342.487 2.844 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975983 481231285 /nfs/dbraw/zinc/23/12/85/481231285.db2.gz IKRLPAFXONLCKH-OAGGEKHMSA-N 1 3 333.451 2.864 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976356 481231771 /nfs/dbraw/zinc/23/17/71/481231771.db2.gz NIDNGYDNLQJDGI-YSIASYRMSA-N 1 3 343.515 2.711 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976993 481232155 /nfs/dbraw/zinc/23/21/55/481232155.db2.gz WQVARBCZMKAYOF-ROUUACIJSA-N 1 3 330.472 2.980 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976578 481232302 /nfs/dbraw/zinc/23/23/02/481232302.db2.gz QILONNZZCDISDQ-YESZJQIVSA-N 1 3 345.487 2.734 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000647977419 481233102 /nfs/dbraw/zinc/23/31/02/481233102.db2.gz AZXIALRWTOAWTO-OALUTQOASA-N 1 3 335.536 2.785 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977208 481233540 /nfs/dbraw/zinc/23/35/40/481233540.db2.gz ZKJDXCKUPRUROT-QRQLOZEOSA-N 1 3 335.536 2.783 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630864 481233951 /nfs/dbraw/zinc/23/39/51/481233951.db2.gz OLUAPJQVMYZUAF-USXIJHARSA-N 1 3 331.460 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630864 481233957 /nfs/dbraw/zinc/23/39/57/481233957.db2.gz OLUAPJQVMYZUAF-USXIJHARSA-N 1 3 331.460 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630863 481234220 /nfs/dbraw/zinc/23/42/20/481234220.db2.gz OLUAPJQVMYZUAF-UAGQMJEPSA-N 1 3 331.460 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630863 481234226 /nfs/dbraw/zinc/23/42/26/481234226.db2.gz OLUAPJQVMYZUAF-UAGQMJEPSA-N 1 3 331.460 2.629 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000647978814 481236326 /nfs/dbraw/zinc/23/63/26/481236326.db2.gz YMCSGLWEYUQBHL-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000647978815 481236831 /nfs/dbraw/zinc/23/68/31/481236831.db2.gz YMCSGLWEYUQBHL-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000669614904 481241721 /nfs/dbraw/zinc/24/17/21/481241721.db2.gz VAZHMKISPBVYBC-OXQOHEQNSA-N 1 3 343.515 2.831 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000646381122 481263285 /nfs/dbraw/zinc/26/32/85/481263285.db2.gz IJEBNNXVONGNCA-MOPGFXCFSA-N 1 3 329.488 2.600 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000667042259 481274530 /nfs/dbraw/zinc/27/45/30/481274530.db2.gz KEEYSZKUOZXYFG-VQTJNVASSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000650706150 481274829 /nfs/dbraw/zinc/27/48/29/481274829.db2.gz FHZGPPLVSNMOQH-FVQBIDKESA-N 1 3 346.500 2.857 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650707246 481274877 /nfs/dbraw/zinc/27/48/77/481274877.db2.gz BUOPUIWLUXYDMS-GBESFXJTSA-N 1 3 346.519 2.645 20 0 EFADHO CCCn1nc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1C ZINC000650706174 481275309 /nfs/dbraw/zinc/27/53/09/481275309.db2.gz FQVMGOKSIFJVGN-YQVWRLOYSA-N 1 3 334.508 2.628 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650707247 481275593 /nfs/dbraw/zinc/27/55/93/481275593.db2.gz BUOPUIWLUXYDMS-IPMKNSEASA-N 1 3 346.519 2.645 20 0 EFADHO COc1ccccc1/C=C\CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706087 481276291 /nfs/dbraw/zinc/27/62/91/481276291.db2.gz CXKMQZLITRTYEJ-UUIHTFEYSA-N 1 3 330.472 2.927 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707515 481278309 /nfs/dbraw/zinc/27/83/09/481278309.db2.gz HQMFUBSRNCZFPY-SCTDSRPQSA-N 1 3 348.535 2.973 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000650708235 481278397 /nfs/dbraw/zinc/27/83/97/481278397.db2.gz WAAFKZZCNUSJOS-XYPHTWIQSA-N 1 3 346.500 2.857 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000646408764 481280482 /nfs/dbraw/zinc/28/04/82/481280482.db2.gz HBPXULNZSCNYRI-GUDVDZBRSA-N 1 3 329.488 2.847 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4cnccc4c3)CC2)C1 ZINC000667054168 481281307 /nfs/dbraw/zinc/28/13/07/481281307.db2.gz SDUHTOIGWDYSAK-PMACEKPBSA-N 1 3 325.456 2.953 20 0 EFADHO Cc1cccn2c(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)cnc12 ZINC000650722912 481288537 /nfs/dbraw/zinc/28/85/37/481288537.db2.gz DLFKWJQVJZAVGZ-KBAYOESNSA-N 1 3 328.460 2.504 20 0 EFADHO Cc1ccc2ncc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)n2c1 ZINC000650723044 481292666 /nfs/dbraw/zinc/29/26/66/481292666.db2.gz GQQAIQSZAWDIHK-KBAYOESNSA-N 1 3 328.460 2.504 20 0 EFADHO Cc1cccc2ncc(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)n21 ZINC000650723794 481292928 /nfs/dbraw/zinc/29/29/28/481292928.db2.gz UEAQEHRVCDYARY-CGTJXYLNSA-N 1 3 328.460 2.504 20 0 EFADHO OCC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000648068129 481301047 /nfs/dbraw/zinc/30/10/47/481301047.db2.gz CNJKKVQXWIBJPO-LJQANCHMSA-N 1 3 329.419 2.903 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000643057506 481302367 /nfs/dbraw/zinc/30/23/67/481302367.db2.gz ICXJXQLRBIWREP-SFHVURJKSA-N 1 3 326.440 2.544 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000643057506 481302374 /nfs/dbraw/zinc/30/23/74/481302374.db2.gz ICXJXQLRBIWREP-SFHVURJKSA-N 1 3 326.440 2.544 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000643076729 481307662 /nfs/dbraw/zinc/30/76/62/481307662.db2.gz KHBSDIPLZIJLSN-QZTJIDSGSA-N 1 3 329.488 2.548 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000643076729 481307667 /nfs/dbraw/zinc/30/76/67/481307667.db2.gz KHBSDIPLZIJLSN-QZTJIDSGSA-N 1 3 329.488 2.548 20 0 EFADHO C[N@@H+](CCc1cnccn1)CCC1CCN(c2ccncc2)CC1 ZINC000639558772 481312767 /nfs/dbraw/zinc/31/27/67/481312767.db2.gz JASLHBVUSZRVTJ-UHFFFAOYSA-N 1 3 325.460 2.653 20 0 EFADHO C[N@H+](CCc1cnccn1)CCC1CCN(c2ccncc2)CC1 ZINC000639558772 481312778 /nfs/dbraw/zinc/31/27/78/481312778.db2.gz JASLHBVUSZRVTJ-UHFFFAOYSA-N 1 3 325.460 2.653 20 0 EFADHO Cc1c([C@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000650763712 481326960 /nfs/dbraw/zinc/32/69/60/481326960.db2.gz HSITULKIKGBXBS-HNNXBMFYSA-N 1 3 327.476 2.924 20 0 EFADHO CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000667123209 481337095 /nfs/dbraw/zinc/33/70/95/481337095.db2.gz MAQZCAYXCVITAE-HZPDHXFCSA-N 1 3 348.491 2.527 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCc3ccc4c(c3)CNC4)cc21 ZINC000659304525 481349101 /nfs/dbraw/zinc/34/91/01/481349101.db2.gz NXLFTWJESPHTNO-QGZVFWFLSA-N 1 3 335.451 2.598 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H]3CCN(CC4CC4)C3)ccc21 ZINC000653618194 481366605 /nfs/dbraw/zinc/36/66/05/481366605.db2.gz PHROYXQDCFAXQX-HKUYNNGSSA-N 1 3 342.487 2.841 20 0 EFADHO Cc1cc(NC(=O)CC2([NH3+])CCC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000646542109 481368593 /nfs/dbraw/zinc/36/85/93/481368593.db2.gz QNRHVSJIEGBITP-UHFFFAOYSA-N 1 3 344.503 2.735 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661878395 481387455 /nfs/dbraw/zinc/38/74/55/481387455.db2.gz NLNHGHCCGFOCPL-WOJBJXKFSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661878395 481387464 /nfs/dbraw/zinc/38/74/64/481387464.db2.gz NLNHGHCCGFOCPL-WOJBJXKFSA-N 1 3 337.552 2.684 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646618240 481406192 /nfs/dbraw/zinc/40/61/92/481406192.db2.gz GZFOBBNGUMWGJQ-FQEVSTJZSA-N 1 3 341.499 2.609 20 0 EFADHO COc1ccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682079 481423325 /nfs/dbraw/zinc/42/33/25/481423325.db2.gz JYLGDAMNSFFDTE-UHFFFAOYSA-N 1 3 327.428 2.681 20 0 EFADHO CN1CCC(N2CC[C@@H]([N@H+](C)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000643375412 481442144 /nfs/dbraw/zinc/44/21/44/481442144.db2.gz VBUMFPAVIOUWSW-TYPHKJRUSA-N 1 3 327.516 2.890 20 0 EFADHO CN1CCC(N2CC[C@@H]([N@@H+](C)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000643375412 481442154 /nfs/dbraw/zinc/44/21/54/481442154.db2.gz VBUMFPAVIOUWSW-TYPHKJRUSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643375412 481442166 /nfs/dbraw/zinc/44/21/66/481442166.db2.gz VBUMFPAVIOUWSW-TYPHKJRUSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643375412 481442176 /nfs/dbraw/zinc/44/21/76/481442176.db2.gz VBUMFPAVIOUWSW-TYPHKJRUSA-N 1 3 327.516 2.890 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659463607 481450264 /nfs/dbraw/zinc/45/02/64/481450264.db2.gz AXMSYQPLWJSSPD-AEFFLSMTSA-N 1 3 344.503 2.610 20 0 EFADHO CC1=Nc2ccccc2C12CC[NH+](C[C@@H](O)CN(C)C(C)C)CC2 ZINC000639729623 481464229 /nfs/dbraw/zinc/46/42/29/481464229.db2.gz QWVLDNBQWITWGG-KRWDZBQOSA-N 1 3 329.488 2.827 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000659492736 481468572 /nfs/dbraw/zinc/46/85/72/481468572.db2.gz RIKDMEVIZXSUQT-CJNGLKHVSA-N 1 3 340.899 2.630 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643464025 481478650 /nfs/dbraw/zinc/47/86/50/481478650.db2.gz WXZIDHLSTBNINZ-AKHDSKFASA-N 1 3 332.488 2.553 20 0 EFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000643463277 481478668 /nfs/dbraw/zinc/47/86/68/481478668.db2.gz QTFHVCBCTJIJEO-ZSYWTGECSA-N 1 3 333.520 2.678 20 0 EFADHO OCC1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000643466275 481480868 /nfs/dbraw/zinc/48/08/68/481480868.db2.gz QKNJMXMLMYDZOI-FXAWDEMLSA-N 1 3 330.472 2.775 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)ncn1 ZINC000643474325 481484507 /nfs/dbraw/zinc/48/45/07/481484507.db2.gz AVVAWWPLDGSURP-UHOSZYNNSA-N 1 3 345.535 2.908 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000637371111 481487636 /nfs/dbraw/zinc/48/76/36/481487636.db2.gz XINLAUPQYNUPBO-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO Cn1ncc2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc21 ZINC000643490123 481487688 /nfs/dbraw/zinc/48/76/88/481487688.db2.gz KSZINHBHVJNKIU-RXVVDRJESA-N 1 3 348.450 2.919 20 0 EFADHO Cn1ncc2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc21 ZINC000643490120 481487739 /nfs/dbraw/zinc/48/77/39/481487739.db2.gz KSZINHBHVJNKIU-GHTZIAJQSA-N 1 3 348.450 2.919 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000637371106 481488247 /nfs/dbraw/zinc/48/82/47/481488247.db2.gz XINLAUPQYNUPBO-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000637371108 481488758 /nfs/dbraw/zinc/48/87/58/481488758.db2.gz XINLAUPQYNUPBO-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372597 481489333 /nfs/dbraw/zinc/48/93/33/481489333.db2.gz LGOGHNWOBHEKIK-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372597 481489342 /nfs/dbraw/zinc/48/93/42/481489342.db2.gz LGOGHNWOBHEKIK-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372950 481489759 /nfs/dbraw/zinc/48/97/59/481489759.db2.gz MHNFIQWKQJAOSA-SJLPKXTDSA-N 1 3 336.524 2.565 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC[C@@H]21 ZINC000637374540 481492185 /nfs/dbraw/zinc/49/21/85/481492185.db2.gz XXZFRCDMDBGYAZ-NEWSRXKRSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC[C@@H]21 ZINC000637374540 481492189 /nfs/dbraw/zinc/49/21/89/481492189.db2.gz XXZFRCDMDBGYAZ-NEWSRXKRSA-N 1 3 348.535 2.519 20 0 EFADHO F[C@@H]1CN[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000643538673 481499686 /nfs/dbraw/zinc/49/96/86/481499686.db2.gz REYKNRGYLGMTNA-CENDIDJXSA-N 1 3 331.479 2.719 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000643546818 481501803 /nfs/dbraw/zinc/50/18/03/481501803.db2.gz VJVGVSYZBKUMFV-FUHWJXTLSA-N 1 3 329.488 2.849 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546438 481501818 /nfs/dbraw/zinc/50/18/18/481501818.db2.gz OWIPAXVDAQJDNL-GJZGRUSLSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546438 481501822 /nfs/dbraw/zinc/50/18/22/481501822.db2.gz OWIPAXVDAQJDNL-GJZGRUSLSA-N 1 3 331.460 2.677 20 0 EFADHO CCCN(C(=O)N[C@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659646451 481526504 /nfs/dbraw/zinc/52/65/04/481526504.db2.gz NOGQVHPEDNDAGW-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000664869199 481530380 /nfs/dbraw/zinc/53/03/80/481530380.db2.gz LNRCCQMJYIYLHI-JZXOWHBKSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H](C)[NH+](C)C)N(C)C ZINC000664869197 481530512 /nfs/dbraw/zinc/53/05/12/481530512.db2.gz LNRCCQMJYIYLHI-BQFCYCMXSA-N 1 3 334.508 2.626 20 0 EFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CCO1 ZINC000648426669 481538040 /nfs/dbraw/zinc/53/80/40/481538040.db2.gz MCSKESCZGGHCRU-SFTDATJTSA-N 1 3 345.531 2.871 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000637469060 481547877 /nfs/dbraw/zinc/54/78/77/481547877.db2.gz BURYFIJHENJLSU-UHFFFAOYSA-N 1 3 346.519 2.600 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000637470666 481551201 /nfs/dbraw/zinc/55/12/01/481551201.db2.gz BGAHKXKLMIHIMN-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000637477001 481556484 /nfs/dbraw/zinc/55/64/84/481556484.db2.gz QVGHDSOQZQHGOG-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000637477001 481556495 /nfs/dbraw/zinc/55/64/95/481556495.db2.gz QVGHDSOQZQHGOG-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000648466366 481565844 /nfs/dbraw/zinc/56/58/44/481565844.db2.gz QFWYPSCGABOKJK-QUCCMNQESA-N 1 3 332.488 2.691 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476332 481570827 /nfs/dbraw/zinc/57/08/27/481570827.db2.gz VIIATIUKBLAXDZ-SJORKVTESA-N 1 3 349.862 2.949 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000637504097 481573460 /nfs/dbraw/zinc/57/34/60/481573460.db2.gz IMTUATZYBUNAMZ-RBUKOAKNSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]1CN(CCN2CCC(C[NH+]3CCCCCC3)CC2)C[C@H](C)O1 ZINC000659837836 481588935 /nfs/dbraw/zinc/58/89/35/481588935.db2.gz IBFORZLLBUPUGH-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1(C)C ZINC000648567377 481613897 /nfs/dbraw/zinc/61/38/97/481613897.db2.gz ZQIQNSTVPUNXDB-UHFFFAOYSA-N 1 3 336.867 2.597 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](C3CCCCC3)C2)CC1 ZINC000662200160 481629275 /nfs/dbraw/zinc/62/92/75/481629275.db2.gz DTQAYUVYGNAMGB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](CCCNC(=O)N1CCC[C@H](N(C)C)C1)C1CCCCC1 ZINC000651220657 481638222 /nfs/dbraw/zinc/63/82/22/481638222.db2.gz QPNSJEVUJLOZAI-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC(=O)N1CCC[C@H](N(C)C)C1)C1CCCCC1 ZINC000651220657 481638228 /nfs/dbraw/zinc/63/82/28/481638228.db2.gz QPNSJEVUJLOZAI-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CN1CCC(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000643972976 481662491 /nfs/dbraw/zinc/66/24/91/481662491.db2.gz LVZYUUPDMWRPPN-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)c1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000662264741 481676390 /nfs/dbraw/zinc/67/63/90/481676390.db2.gz KFTDVLLVKUFECN-UYAOXDASSA-N 1 3 343.515 2.890 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979570 481680702 /nfs/dbraw/zinc/68/07/02/481680702.db2.gz ULDDHOKRLMXPDO-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979570 481680707 /nfs/dbraw/zinc/68/07/07/481680707.db2.gz ULDDHOKRLMXPDO-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979570 481680713 /nfs/dbraw/zinc/68/07/13/481680713.db2.gz ULDDHOKRLMXPDO-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979570 481680721 /nfs/dbraw/zinc/68/07/21/481680721.db2.gz ULDDHOKRLMXPDO-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000662281983 481688555 /nfs/dbraw/zinc/68/85/55/481688555.db2.gz ALDGVGVWEXMRIH-HNNXBMFYSA-N 1 3 347.528 2.722 20 0 EFADHO CN(C)C(=O)C1(NCc2ccc(OCC[NH+](C)C)cc2)CCCCC1 ZINC000648718283 481690459 /nfs/dbraw/zinc/69/04/59/481690459.db2.gz NPYFSQKKFKIDSB-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO OCC1(NCCCCOc2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000662286450 481690720 /nfs/dbraw/zinc/69/07/20/481690720.db2.gz HSMGUHXNEZZHTQ-UHFFFAOYSA-N 1 3 346.393 2.569 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291028 481692962 /nfs/dbraw/zinc/69/29/62/481692962.db2.gz NHZQFBKVYIDLDM-QXAKKESOSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662291804 481695149 /nfs/dbraw/zinc/69/51/49/481695149.db2.gz KMGOLDCCGLOCRU-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291961 481695747 /nfs/dbraw/zinc/69/57/47/481695747.db2.gz ZTGTZWSRLCKHRM-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291497 481695838 /nfs/dbraw/zinc/69/58/38/481695838.db2.gz VCAVRDZUOGXOOQ-PXNSSMCTSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292036 481696118 /nfs/dbraw/zinc/69/61/18/481696118.db2.gz LDKXADKVXNHKNG-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000648724298 481696873 /nfs/dbraw/zinc/69/68/73/481696873.db2.gz PIZROTWOENPWLO-LZQZEXGQSA-N 1 3 347.503 2.535 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000648724298 481696881 /nfs/dbraw/zinc/69/68/81/481696881.db2.gz PIZROTWOENPWLO-LZQZEXGQSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293726 481697255 /nfs/dbraw/zinc/69/72/55/481697255.db2.gz IMEPEJLADFSQDW-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010765 481698283 /nfs/dbraw/zinc/69/82/83/481698283.db2.gz MAKOPOIPMCWJOL-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010765 481698290 /nfs/dbraw/zinc/69/82/90/481698290.db2.gz MAKOPOIPMCWJOL-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010765 481698296 /nfs/dbraw/zinc/69/82/96/481698296.db2.gz MAKOPOIPMCWJOL-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010765 481698301 /nfs/dbraw/zinc/69/83/01/481698301.db2.gz MAKOPOIPMCWJOL-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1cccc(Cl)c1 ZINC000662293734 481698502 /nfs/dbraw/zinc/69/85/02/481698502.db2.gz IMFTWHMTHLZRTI-QGZVFWFLSA-N 1 3 349.906 2.668 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)on2)cnn1C ZINC000662294262 481699450 /nfs/dbraw/zinc/69/94/50/481699450.db2.gz QOBMXHZLJCVLNI-INIZCTEOSA-N 1 3 343.475 2.595 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294075 481700240 /nfs/dbraw/zinc/70/02/40/481700240.db2.gz ATYSXDXFHKBGPD-NVXWUHKLSA-N 1 3 349.544 2.507 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662295093 481700777 /nfs/dbraw/zinc/70/07/77/481700777.db2.gz DYHADIDRVBZVTQ-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2ccccc21 ZINC000662296466 481703246 /nfs/dbraw/zinc/70/32/46/481703246.db2.gz KQLPHKUCANZLJH-MRXNPFEDSA-N 1 3 340.471 2.590 20 0 EFADHO O=C1[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1 ZINC000662299104 481705468 /nfs/dbraw/zinc/70/54/68/481705468.db2.gz ZQFWGUAVFZBCDC-IEBWSBKVSA-N 1 3 327.472 2.504 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298769 481705747 /nfs/dbraw/zinc/70/57/47/481705747.db2.gz XUAMNOWITCSEMY-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO C[NH+](C)CCCOc1ccc(CNCc2ccc(CO)cc2)cc1 ZINC000647229465 481715607 /nfs/dbraw/zinc/71/56/07/481715607.db2.gz OGKAUXYJWSNMHD-UHFFFAOYSA-N 1 3 328.456 2.799 20 0 EFADHO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312292 481715875 /nfs/dbraw/zinc/71/58/75/481715875.db2.gz AOVRMELJTCJMOA-SOLBZPMBSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@@H]1CCCN(CC(=O)N2CCSc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662315093 481718505 /nfs/dbraw/zinc/71/85/05/481718505.db2.gz QTPICCVKDYPPMC-HZPDHXFCSA-N 1 3 347.528 2.965 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000667663818 481720097 /nfs/dbraw/zinc/72/00/97/481720097.db2.gz XNJBKTMGSSXXQR-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000667663818 481720108 /nfs/dbraw/zinc/72/01/08/481720108.db2.gz XNJBKTMGSSXXQR-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@@H](CN2CCCC2)C1 ZINC000667663818 481720115 /nfs/dbraw/zinc/72/01/15/481720115.db2.gz XNJBKTMGSSXXQR-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317441 481720544 /nfs/dbraw/zinc/72/05/44/481720544.db2.gz PLOFFNYBPXZBTA-YLJYHZDGSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317441 481720549 /nfs/dbraw/zinc/72/05/49/481720549.db2.gz PLOFFNYBPXZBTA-YLJYHZDGSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317441 481720555 /nfs/dbraw/zinc/72/05/55/481720555.db2.gz PLOFFNYBPXZBTA-YLJYHZDGSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316704 481721127 /nfs/dbraw/zinc/72/11/27/481721127.db2.gz LYUPHLDMHDZQRZ-ICSRJNTNSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316704 481721136 /nfs/dbraw/zinc/72/11/36/481721136.db2.gz LYUPHLDMHDZQRZ-ICSRJNTNSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316704 481721143 /nfs/dbraw/zinc/72/11/43/481721143.db2.gz LYUPHLDMHDZQRZ-ICSRJNTNSA-N 1 3 339.483 2.948 20 0 EFADHO CCc1nocc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327124 481730477 /nfs/dbraw/zinc/73/04/77/481730477.db2.gz JYQPHQZMHMIWCW-UHFFFAOYSA-N 1 3 343.475 2.807 20 0 EFADHO Cc1nocc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327453 481730499 /nfs/dbraw/zinc/73/04/99/481730499.db2.gz ORLGWNFUAWHSRT-UHFFFAOYSA-N 1 3 329.448 2.553 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000662336097 481734804 /nfs/dbraw/zinc/73/48/04/481734804.db2.gz URKQEUFOGFOJBN-KRWDZBQOSA-N 1 3 331.508 2.579 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000662336097 481734808 /nfs/dbraw/zinc/73/48/08/481734808.db2.gz URKQEUFOGFOJBN-KRWDZBQOSA-N 1 3 331.508 2.579 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665233986 481735248 /nfs/dbraw/zinc/73/52/48/481735248.db2.gz VIHLIBGXHQNNIF-QBYUYEEZSA-N 1 3 337.895 2.508 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640064512 481738739 /nfs/dbraw/zinc/73/87/39/481738739.db2.gz VBTCJFQVYAJSHP-HNNXBMFYSA-N 1 3 346.475 2.600 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000648792136 481745795 /nfs/dbraw/zinc/74/57/95/481745795.db2.gz UULIULMYDFGVKA-KVPLUYHFSA-N 1 3 343.515 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000648792136 481745801 /nfs/dbraw/zinc/74/58/01/481745801.db2.gz UULIULMYDFGVKA-KVPLUYHFSA-N 1 3 343.515 2.838 20 0 EFADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000662356614 481749146 /nfs/dbraw/zinc/74/91/46/481749146.db2.gz PDHSJAGENLCXAF-OAQYLSRUSA-N 1 3 349.478 2.956 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667724124 481761773 /nfs/dbraw/zinc/76/17/73/481761773.db2.gz XQYKKSTYCMOSFW-YJBOKZPZSA-N 1 3 328.460 2.626 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667724124 481761780 /nfs/dbraw/zinc/76/17/80/481761780.db2.gz XQYKKSTYCMOSFW-YJBOKZPZSA-N 1 3 328.460 2.626 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccco1 ZINC000667733946 481769258 /nfs/dbraw/zinc/76/92/58/481769258.db2.gz OKFKPVRVANPMBY-CJNGLKHVSA-N 1 3 330.432 2.989 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000665290293 481773752 /nfs/dbraw/zinc/77/37/52/481773752.db2.gz SHICRXPZFMFEKG-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000665290293 481773760 /nfs/dbraw/zinc/77/37/60/481773760.db2.gz SHICRXPZFMFEKG-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743225 481777485 /nfs/dbraw/zinc/77/74/85/481777485.db2.gz INZVWJQHGHDWQV-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743225 481777489 /nfs/dbraw/zinc/77/74/89/481777489.db2.gz INZVWJQHGHDWQV-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662389027 481778909 /nfs/dbraw/zinc/77/89/09/481778909.db2.gz SASCIKZWTSQNJE-CQSZACIVSA-N 1 3 335.517 2.636 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662389027 481778915 /nfs/dbraw/zinc/77/89/15/481778915.db2.gz SASCIKZWTSQNJE-CQSZACIVSA-N 1 3 335.517 2.636 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294734 481779348 /nfs/dbraw/zinc/77/93/48/481779348.db2.gz VMJIADMOXQACAA-NSISKUIASA-N 1 3 332.488 2.860 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662389412 481779682 /nfs/dbraw/zinc/77/96/82/481779682.db2.gz XDYCBRKBGXCCNX-CRAIPNDOSA-N 1 3 329.488 2.527 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662405137 481788343 /nfs/dbraw/zinc/78/83/43/481788343.db2.gz WTQQJJLJWYKDGI-GPMSIDNRSA-N 1 3 343.515 2.915 20 0 EFADHO O=C(c1cccc2c1C[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000662416262 481795362 /nfs/dbraw/zinc/79/53/62/481795362.db2.gz BLTFGCKLBHDIRO-UHFFFAOYSA-N 1 3 327.472 2.628 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNC(C)C)ccc21 ZINC000662429937 481801512 /nfs/dbraw/zinc/80/15/12/481801512.db2.gz LZOQFWNHFOGFDY-UHFFFAOYSA-N 1 3 330.476 2.920 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654347773 481806278 /nfs/dbraw/zinc/80/62/78/481806278.db2.gz KRBAXOHCTSZGGA-GBESFXJTSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654347773 481806268 /nfs/dbraw/zinc/80/62/68/481806268.db2.gz KRBAXOHCTSZGGA-GBESFXJTSA-N 1 3 344.503 2.605 20 0 EFADHO C[N@H+](CCCNC(=O)Nc1cnc2c(c1)CNCC2)C1CCCCC1 ZINC000667792446 481808643 /nfs/dbraw/zinc/80/86/43/481808643.db2.gz ZINCBHYQLRJTNJ-UHFFFAOYSA-N 1 3 345.491 2.503 20 0 EFADHO C[N@@H+](CCCNC(=O)Nc1cnc2c(c1)CNCC2)C1CCCCC1 ZINC000667792446 481808656 /nfs/dbraw/zinc/80/86/56/481808656.db2.gz ZINCBHYQLRJTNJ-UHFFFAOYSA-N 1 3 345.491 2.503 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662444058 481809184 /nfs/dbraw/zinc/80/91/84/481809184.db2.gz DIOJBISUBGICRQ-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662444058 481809191 /nfs/dbraw/zinc/80/91/91/481809191.db2.gz DIOJBISUBGICRQ-SFHVURJKSA-N 1 3 349.478 2.584 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355763 481813626 /nfs/dbraw/zinc/81/36/26/481813626.db2.gz RCIPUUWKQRAEIV-VQIMIIECSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355763 481813633 /nfs/dbraw/zinc/81/36/33/481813633.db2.gz RCIPUUWKQRAEIV-VQIMIIECSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662455279 481814678 /nfs/dbraw/zinc/81/46/78/481814678.db2.gz XEXOFFFWDATFGP-ROUUACIJSA-N 1 3 329.488 2.669 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662455277 481814806 /nfs/dbraw/zinc/81/48/06/481814806.db2.gz XEXOFFFWDATFGP-MSOLQXFVSA-N 1 3 329.488 2.669 20 0 EFADHO CC1CCC(N2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)CC1 ZINC000662462169 481820277 /nfs/dbraw/zinc/82/02/77/481820277.db2.gz IZOUVXHAGSVLAB-UHFFFAOYSA-N 1 3 327.472 2.626 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662479948 481829944 /nfs/dbraw/zinc/82/99/44/481829944.db2.gz NMCGNLVNTFSNGH-FPOVZHCZSA-N 1 3 349.478 2.954 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662479948 481829951 /nfs/dbraw/zinc/82/99/51/481829951.db2.gz NMCGNLVNTFSNGH-FPOVZHCZSA-N 1 3 349.478 2.954 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@H]12)[N@@H+]1CCCC[C@H]1C ZINC000654373384 481830099 /nfs/dbraw/zinc/83/00/99/481830099.db2.gz AWYBJWGQHFGHKU-ZJPYXAASSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@H]12)[N@H+]1CCCC[C@H]1C ZINC000654373384 481830104 /nfs/dbraw/zinc/83/01/04/481830104.db2.gz AWYBJWGQHFGHKU-ZJPYXAASSA-N 1 3 336.524 2.565 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819898 481830426 /nfs/dbraw/zinc/83/04/26/481830426.db2.gz HPQGTONFJSUORL-MJGOQNOKSA-N 1 3 334.504 2.964 20 0 EFADHO CC[N@H+]1CCC[C@@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819898 481830429 /nfs/dbraw/zinc/83/04/29/481830429.db2.gz HPQGTONFJSUORL-MJGOQNOKSA-N 1 3 334.504 2.964 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000662480142 481830770 /nfs/dbraw/zinc/83/07/70/481830770.db2.gz PRYQJQYVLOQKOT-OALUTQOASA-N 1 3 331.504 2.730 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000660241059 481850998 /nfs/dbraw/zinc/85/09/98/481850998.db2.gz BNJGWCLLNIZZFY-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CCCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCN(C)C1 ZINC000648995639 481876242 /nfs/dbraw/zinc/87/62/42/481876242.db2.gz BWZYVDFTMRMJKB-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312365 481889212 /nfs/dbraw/zinc/88/92/12/481889212.db2.gz QEMJUYSSCLLFGB-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312365 481889215 /nfs/dbraw/zinc/88/92/15/481889215.db2.gz QEMJUYSSCLLFGB-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000662611330 481898567 /nfs/dbraw/zinc/89/85/67/481898567.db2.gz YIULBXGADHHHSU-INIZCTEOSA-N 1 3 331.504 2.525 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000660359401 481915313 /nfs/dbraw/zinc/91/53/13/481915313.db2.gz QNSDJKSKGYMWFS-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N(C)C)cc1 ZINC000662662204 481921693 /nfs/dbraw/zinc/92/16/93/481921693.db2.gz BYHISFCIALBPNT-QGZVFWFLSA-N 1 3 329.488 2.630 20 0 EFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662660071 481921706 /nfs/dbraw/zinc/92/17/06/481921706.db2.gz XUSPXGDQNGRBFG-OAQYLSRUSA-N 1 3 349.478 2.679 20 0 EFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000662660071 481921712 /nfs/dbraw/zinc/92/17/12/481921712.db2.gz XUSPXGDQNGRBFG-OAQYLSRUSA-N 1 3 349.478 2.679 20 0 EFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC2(CCC2)C1 ZINC000662668792 481924676 /nfs/dbraw/zinc/92/46/76/481924676.db2.gz JBSNWPAZWRZVHC-UHFFFAOYSA-N 1 3 341.499 2.950 20 0 EFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000651733579 481925504 /nfs/dbraw/zinc/92/55/04/481925504.db2.gz MOWFOKQQBFVVMM-BZSNNMDCSA-N 1 3 326.525 2.795 20 0 EFADHO O=C(c1cccc2c1CC[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000662672830 481926212 /nfs/dbraw/zinc/92/62/12/481926212.db2.gz FGCMZHWNPUPJOP-UHFFFAOYSA-N 1 3 341.499 2.670 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cccc(OC)c1 ZINC000662670427 481926252 /nfs/dbraw/zinc/92/62/52/481926252.db2.gz KKRGJOQBCIBZIA-MSOLQXFVSA-N 1 3 347.503 2.582 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)c1cccc(OC)c1 ZINC000662670434 481926398 /nfs/dbraw/zinc/92/63/98/481926398.db2.gz KKRGJOQBCIBZIA-ZWKOTPCHSA-N 1 3 347.503 2.582 20 0 EFADHO CC(C)(CNC(=O)C1([NH3+])CC2(CCC2)C1)N1CCc2ccccc2C1 ZINC000662679073 481929877 /nfs/dbraw/zinc/92/98/77/481929877.db2.gz KKPSZJFCHMWXTI-UHFFFAOYSA-N 1 3 341.499 2.601 20 0 EFADHO CC[C@H](CNC(=O)C1([NH3+])CC2(CCC2)C1)N1CCc2ccccc2C1 ZINC000662680747 481930384 /nfs/dbraw/zinc/93/03/84/481930384.db2.gz XIJUJYJMCXCLQE-GOSISDBHSA-N 1 3 341.499 2.601 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1CCNC2 ZINC000662683104 481932022 /nfs/dbraw/zinc/93/20/22/481932022.db2.gz NMGLBNXSWYNUFE-MRXNPFEDSA-N 1 3 329.488 2.717 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1CCNC2 ZINC000662683104 481932028 /nfs/dbraw/zinc/93/20/28/481932028.db2.gz NMGLBNXSWYNUFE-MRXNPFEDSA-N 1 3 329.488 2.717 20 0 EFADHO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665554698 481932166 /nfs/dbraw/zinc/93/21/66/481932166.db2.gz QBYZKVNNVLLAOV-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000665554243 481932398 /nfs/dbraw/zinc/93/23/98/481932398.db2.gz IGIPQUGVQXULFE-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651753257 481933019 /nfs/dbraw/zinc/93/30/19/481933019.db2.gz KNGMJQLGUZMJMR-HXUWFJFHSA-N 1 3 344.503 2.936 20 0 EFADHO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000651758655 481935738 /nfs/dbraw/zinc/93/57/38/481935738.db2.gz JCRMUBSYMSLKKR-RBUKOAKNSA-N 1 3 334.504 2.794 20 0 EFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C1(NC2CC2)CCC1 ZINC000662696906 481938897 /nfs/dbraw/zinc/93/88/97/481938897.db2.gz YVJAFQRNBKMFMM-UHFFFAOYSA-N 1 3 341.499 2.690 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720603 481948254 /nfs/dbraw/zinc/94/82/54/481948254.db2.gz BIYNRTOXCMLJHH-YJBOKZPZSA-N 1 3 329.488 2.716 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662752482 481960160 /nfs/dbraw/zinc/96/01/60/481960160.db2.gz ZJTHQSDQKNTPMA-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CCNC(=O)C1(NC2CC2)CCC1)[N@H+](C)Cc1ccccc1 ZINC000662753213 481960280 /nfs/dbraw/zinc/96/02/80/481960280.db2.gz WZNKNJRBTUCLIV-INIZCTEOSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H](CCNC(=O)C1(NC2CC2)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000662753213 481960287 /nfs/dbraw/zinc/96/02/87/481960287.db2.gz WZNKNJRBTUCLIV-INIZCTEOSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H](C[NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662760439 481961989 /nfs/dbraw/zinc/96/19/89/481961989.db2.gz WMQLCVAIPKWSIB-LPHOPBHVSA-N 1 3 343.515 2.730 20 0 EFADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@H](O)CN(C)C(C)C)CC1 ZINC000660452345 481968430 /nfs/dbraw/zinc/96/84/30/481968430.db2.gz TYBMFZPYAJNULZ-GOSISDBHSA-N 1 3 344.503 2.683 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662787931 481969779 /nfs/dbraw/zinc/96/97/79/481969779.db2.gz IBRSXWAODBUVGM-UHFFFAOYSA-N 1 3 335.517 2.730 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662787931 481969784 /nfs/dbraw/zinc/96/97/84/481969784.db2.gz IBRSXWAODBUVGM-UHFFFAOYSA-N 1 3 335.517 2.730 20 0 EFADHO c1ncn(C[C@H]2CCCN2Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000662795599 481972191 /nfs/dbraw/zinc/97/21/91/481972191.db2.gz IHYFIKALBUCZAZ-HXUWFJFHSA-N 1 3 339.487 2.929 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662821063 481984165 /nfs/dbraw/zinc/98/41/65/481984165.db2.gz CDZOYLWTPXKLIQ-GOSISDBHSA-N 1 3 344.503 2.535 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@@H]34)cc21 ZINC000662836094 481990220 /nfs/dbraw/zinc/99/02/20/481990220.db2.gz VOXSFLCWOIGQNF-SXLOBPIMSA-N 1 3 341.499 2.812 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662837657 481991600 /nfs/dbraw/zinc/99/16/00/481991600.db2.gz UEQPVXPGFSQECS-UHFFFAOYSA-N 1 3 343.475 2.671 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1 ZINC000662837657 481991603 /nfs/dbraw/zinc/99/16/03/481991603.db2.gz UEQPVXPGFSQECS-UHFFFAOYSA-N 1 3 343.475 2.671 20 0 EFADHO CC[N@H+](CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910316 481999793 /nfs/dbraw/zinc/99/97/93/481999793.db2.gz PBGCUKURHRHQSU-WMZOPIPTSA-N 1 3 344.565 2.977 20 0 EFADHO CC[N@@H+](CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910316 481999796 /nfs/dbraw/zinc/99/97/96/481999796.db2.gz PBGCUKURHRHQSU-WMZOPIPTSA-N 1 3 344.565 2.977 20 0 EFADHO CC[N@H+](CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910314 481999863 /nfs/dbraw/zinc/99/98/63/481999863.db2.gz PBGCUKURHRHQSU-FUHWJXTLSA-N 1 3 344.565 2.977 20 0 EFADHO CC[N@@H+](CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910314 481999868 /nfs/dbraw/zinc/99/98/68/481999868.db2.gz PBGCUKURHRHQSU-FUHWJXTLSA-N 1 3 344.565 2.977 20 0 EFADHO CC(C)Oc1ccc2nccc(N3CC[NH+](C(C)(C)CO)CC3)c2c1 ZINC000649277958 482008736 /nfs/dbraw/zinc/00/87/36/482008736.db2.gz YTHXIYOQUZEOTQ-UHFFFAOYSA-N 1 3 343.471 2.915 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000649282809 482010118 /nfs/dbraw/zinc/01/01/18/482010118.db2.gz IWDOASQWGAKZOP-QGZVFWFLSA-N 1 3 335.492 2.712 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000649287955 482012831 /nfs/dbraw/zinc/01/28/31/482012831.db2.gz SYWXGYYNJDJJEE-IBGZPJMESA-N 1 3 329.488 2.608 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)N1CCC([NH+]2CCCCC2)CC1 ZINC000654725026 482014616 /nfs/dbraw/zinc/01/46/16/482014616.db2.gz BMLDTDQUEBGYHF-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000654725376 482014863 /nfs/dbraw/zinc/01/48/63/482014863.db2.gz HDJMGDZPMZYENG-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668172068 482015553 /nfs/dbraw/zinc/01/55/53/482015553.db2.gz COHHZHMDHGQTPX-YZGWKJHDSA-N 1 3 330.472 2.770 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668172068 482015559 /nfs/dbraw/zinc/01/55/59/482015559.db2.gz COHHZHMDHGQTPX-YZGWKJHDSA-N 1 3 330.472 2.770 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000654727074 482015919 /nfs/dbraw/zinc/01/59/19/482015919.db2.gz FOMZEHHFUUTHRI-IPMKNSEASA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654726391 482016873 /nfs/dbraw/zinc/01/68/73/482016873.db2.gz ZZWBSGLTZDWESY-ZWKOTPCHSA-N 1 3 336.524 2.615 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000654729332 482017708 /nfs/dbraw/zinc/01/77/08/482017708.db2.gz RVDXYAWWTYKALQ-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000654729332 482017716 /nfs/dbraw/zinc/01/77/16/482017716.db2.gz RVDXYAWWTYKALQ-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1C ZINC000654728974 482017994 /nfs/dbraw/zinc/01/79/94/482017994.db2.gz BXQHZRXDDRPQOM-FJIDUMEYSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@@H]1C ZINC000654728974 482017990 /nfs/dbraw/zinc/01/79/90/482017990.db2.gz BXQHZRXDDRPQOM-FJIDUMEYSA-N 1 3 336.524 2.518 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654728792 482019113 /nfs/dbraw/zinc/01/91/13/482019113.db2.gz BBDWEJFQJCPIHI-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654728792 482019122 /nfs/dbraw/zinc/01/91/22/482019122.db2.gz BBDWEJFQJCPIHI-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000662973285 482021625 /nfs/dbraw/zinc/02/16/25/482021625.db2.gz YAGNKVZCWGQHHN-HNAYVOBHSA-N 1 3 329.488 2.561 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654733413 482023600 /nfs/dbraw/zinc/02/36/00/482023600.db2.gz VCHOLHNTQMZJNI-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000649347345 482035779 /nfs/dbraw/zinc/03/57/79/482035779.db2.gz RCNPUVNPJUYBQC-YOEHRIQHSA-N 1 3 339.439 2.676 20 0 EFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635824 482062526 /nfs/dbraw/zinc/06/25/26/482062526.db2.gz MMZBJOVACQMFPE-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635824 482062531 /nfs/dbraw/zinc/06/25/31/482062531.db2.gz MMZBJOVACQMFPE-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO COc1ccc(F)cc1CN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411083 482066673 /nfs/dbraw/zinc/06/66/73/482066673.db2.gz NCPNSKOAIUEZHT-UHFFFAOYSA-N 1 3 349.494 2.732 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414660 482068058 /nfs/dbraw/zinc/06/80/58/482068058.db2.gz PNGZXCSJKQIBAD-LPHOPBHVSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414660 482068062 /nfs/dbraw/zinc/06/80/62/482068062.db2.gz PNGZXCSJKQIBAD-LPHOPBHVSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414660 482068064 /nfs/dbraw/zinc/06/80/64/482068064.db2.gz PNGZXCSJKQIBAD-LPHOPBHVSA-N 1 3 328.460 2.617 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000652117363 482081509 /nfs/dbraw/zinc/08/15/09/482081509.db2.gz YFTMDOUALQSNBD-IBGZPJMESA-N 1 3 344.503 2.512 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665113 482083283 /nfs/dbraw/zinc/08/32/83/482083283.db2.gz UGTXRWMSNGFPBD-WIYYLYMNSA-N 1 3 341.499 2.566 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665113 482083287 /nfs/dbraw/zinc/08/32/87/482083287.db2.gz UGTXRWMSNGFPBD-WIYYLYMNSA-N 1 3 341.499 2.566 20 0 EFADHO [NH3+]CCC1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000652128294 482088348 /nfs/dbraw/zinc/08/83/48/482088348.db2.gz VLEWGHWLRQQPEQ-IBGZPJMESA-N 1 3 344.503 2.594 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000652128292 482088360 /nfs/dbraw/zinc/08/83/60/482088360.db2.gz VIZSJLKCSQGLTR-IBGZPJMESA-N 1 3 344.503 2.512 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC2(C[NH3+])CC2)N2CCCC2)cc1 ZINC000652142610 482094649 /nfs/dbraw/zinc/09/46/49/482094649.db2.gz WXJWZKATWPVCQA-SFHVURJKSA-N 1 3 344.503 2.560 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000660752759 482125149 /nfs/dbraw/zinc/12/51/49/482125149.db2.gz CSYNWXDJXKTZKA-QGZVFWFLSA-N 1 3 340.458 2.920 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668540233 482158607 /nfs/dbraw/zinc/15/86/07/482158607.db2.gz AIOLCAIWHXIVNQ-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668540233 482158610 /nfs/dbraw/zinc/15/86/10/482158610.db2.gz AIOLCAIWHXIVNQ-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)[C@@H]3C3CC3)CC2)CC1 ZINC000655092407 482159592 /nfs/dbraw/zinc/15/95/92/482159592.db2.gz SNNHIKFNRJZAMG-IBGZPJMESA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660824038 482165126 /nfs/dbraw/zinc/16/51/26/482165126.db2.gz JMZSZZRYIQXJGY-DLBZAZTESA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660824038 482165128 /nfs/dbraw/zinc/16/51/28/482165128.db2.gz JMZSZZRYIQXJGY-DLBZAZTESA-N 1 3 336.524 2.567 20 0 EFADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1=CCCOC1 ZINC000668569491 482172416 /nfs/dbraw/zinc/17/24/16/482172416.db2.gz ZRDLSUQLRSOPHD-UHFFFAOYSA-N 1 3 343.515 2.996 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3C[C@H](OC(C)(C)C)C3(C)C)C2)CC1 ZINC000666090383 482178412 /nfs/dbraw/zinc/17/84/12/482178412.db2.gz YJEXXICWSSMWMK-SZMVWBNQSA-N 1 3 337.552 2.727 20 0 EFADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857092 482181879 /nfs/dbraw/zinc/18/18/79/482181879.db2.gz FMHXPWLFJIQSLL-KRWDZBQOSA-N 1 3 344.503 2.519 20 0 EFADHO CN(C(=O)CCNCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000663361346 482182081 /nfs/dbraw/zinc/18/20/81/482182081.db2.gz FYPHDXPQZIQTNX-UHFFFAOYSA-N 1 3 339.483 2.933 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360450 482182835 /nfs/dbraw/zinc/18/28/35/482182835.db2.gz OEQOKIFXTLFXRA-SFHVURJKSA-N 1 3 331.504 2.997 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360450 482182841 /nfs/dbraw/zinc/18/28/41/482182841.db2.gz OEQOKIFXTLFXRA-SFHVURJKSA-N 1 3 331.504 2.997 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355720 482189311 /nfs/dbraw/zinc/18/93/11/482189311.db2.gz FBJMNVQQGZDKHI-WBVHZDCISA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCN ZINC000652355720 482189315 /nfs/dbraw/zinc/18/93/15/482189315.db2.gz FBJMNVQQGZDKHI-WBVHZDCISA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355720 482189319 /nfs/dbraw/zinc/18/93/19/482189319.db2.gz FBJMNVQQGZDKHI-WBVHZDCISA-N 1 3 333.476 2.863 20 0 EFADHO C[C@@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CC[NH3+] ZINC000652354712 482190290 /nfs/dbraw/zinc/19/02/90/482190290.db2.gz FWYAZSRNQFVYKA-WBMJQRKESA-N 1 3 325.403 2.743 20 0 EFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CCN ZINC000652354712 482190295 /nfs/dbraw/zinc/19/02/95/482190295.db2.gz FWYAZSRNQFVYKA-WBMJQRKESA-N 1 3 325.403 2.743 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CCN ZINC000652354712 482190301 /nfs/dbraw/zinc/19/03/01/482190301.db2.gz FWYAZSRNQFVYKA-WBMJQRKESA-N 1 3 325.403 2.743 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC[C@@H]1[NH3+] ZINC000668660967 482204226 /nfs/dbraw/zinc/20/42/26/482204226.db2.gz IWGLCTUHQYHXBL-NEWSRXKRSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000649780682 482246302 /nfs/dbraw/zinc/24/63/02/482246302.db2.gz GFGNDTLXNPUNFT-DJIMGWMZSA-N 1 3 332.492 2.932 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668753845 482247363 /nfs/dbraw/zinc/24/73/63/482247363.db2.gz TZKDHOATUBSZSX-JXFKEZNVSA-N 1 3 325.456 2.805 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC([NH2+]CC23CC(C2)CN3)CC1 ZINC000663498522 482265264 /nfs/dbraw/zinc/26/52/64/482265264.db2.gz PJQMKROOXADIMN-UHFFFAOYSA-N 1 3 337.870 2.785 20 0 EFADHO C[C@@H](CCO)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000649870644 482305391 /nfs/dbraw/zinc/30/53/91/482305391.db2.gz GIZZROZWFCHLQU-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@@H](CCO)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000649870644 482305393 /nfs/dbraw/zinc/30/53/93/482305393.db2.gz GIZZROZWFCHLQU-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO CN(CC[NH+]1CCCCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000649889717 482312077 /nfs/dbraw/zinc/31/20/77/482312077.db2.gz LJQPVVMMPRJHOL-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000663846783 482405192 /nfs/dbraw/zinc/40/51/92/482405192.db2.gz LGEWGKXWHIWNMP-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000663846785 482405411 /nfs/dbraw/zinc/40/54/11/482405411.db2.gz LGEWGKXWHIWNMP-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1nccn1CC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276126575 501007593 /nfs/dbraw/zinc/00/75/93/501007593.db2.gz AAQHQOTXEDTYHA-YRWFTTLQSA-N 1 3 326.488 2.938 20 0 EFADHO COC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000152990102 533948465 /nfs/dbraw/zinc/94/84/65/533948465.db2.gz ZZXUFQUJDQBVPX-HNNXBMFYSA-N 1 3 349.475 2.508 20 0 EFADHO C[C@@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)C[NH+]1CCCC1 ZINC000165266166 534077065 /nfs/dbraw/zinc/07/70/65/534077065.db2.gz NLAQVZASOJAJPT-KBPBESRZSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)CN1CCCC1 ZINC000165266166 534077070 /nfs/dbraw/zinc/07/70/70/534077070.db2.gz NLAQVZASOJAJPT-KBPBESRZSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000164566266 534163922 /nfs/dbraw/zinc/16/39/22/534163922.db2.gz MOCZMUHXDRHUDC-APWZRJJASA-N 1 3 345.487 2.768 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000164566266 534163926 /nfs/dbraw/zinc/16/39/26/534163926.db2.gz MOCZMUHXDRHUDC-APWZRJJASA-N 1 3 345.487 2.768 20 0 EFADHO C[C@@H]1[C@@H](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177867417 534232735 /nfs/dbraw/zinc/23/27/35/534232735.db2.gz CFSQBUIOVQZAPP-DLBZAZTESA-N 1 3 329.488 2.629 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000124590786 519653610 /nfs/dbraw/zinc/65/36/10/519653610.db2.gz CIXURAWDFUSUSN-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000177545105 519670989 /nfs/dbraw/zinc/67/09/89/519670989.db2.gz SNMXXJXZIBHEQK-XLIONFOSSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000193008313 519682501 /nfs/dbraw/zinc/68/25/01/519682501.db2.gz ONLBUXUFISZJLK-MJGOQNOKSA-N 1 3 331.504 2.557 20 0 EFADHO CC(C)CO[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775038 519760729 /nfs/dbraw/zinc/76/07/29/519760729.db2.gz GWGUEFKICPRNMK-YTQUADARSA-N 1 3 338.536 2.917 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCn2c(C)csc2=O)CC1 ZINC000121483643 520400998 /nfs/dbraw/zinc/40/09/98/520400998.db2.gz BRKVNSRTVMSYEF-UHFFFAOYSA-N 1 3 325.522 2.662 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCn2c(C)csc2=O)CC1 ZINC000121483643 520401004 /nfs/dbraw/zinc/40/10/04/520401004.db2.gz BRKVNSRTVMSYEF-UHFFFAOYSA-N 1 3 325.522 2.662 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000074319754 520401247 /nfs/dbraw/zinc/40/12/47/520401247.db2.gz IYTIGBXXBFDVAY-UHFFFAOYSA-N 1 3 342.487 2.638 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(=O)n3ccccc3n2)CC1 ZINC000074319754 520401253 /nfs/dbraw/zinc/40/12/53/520401253.db2.gz IYTIGBXXBFDVAY-UHFFFAOYSA-N 1 3 342.487 2.638 20 0 EFADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759757 520567374 /nfs/dbraw/zinc/56/73/74/520567374.db2.gz YBISIZLAGUZFEV-OALUTQOASA-N 1 3 337.552 2.682 20 0 EFADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759757 520567381 /nfs/dbraw/zinc/56/73/81/520567381.db2.gz YBISIZLAGUZFEV-OALUTQOASA-N 1 3 337.552 2.682 20 0 EFADHO CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236729264 521065671 /nfs/dbraw/zinc/06/56/71/521065671.db2.gz VJLWDDKNIICGEX-XVLXNVKGSA-N 1 3 329.488 2.816 20 0 EFADHO CCCC[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236729264 521065675 /nfs/dbraw/zinc/06/56/75/521065675.db2.gz VJLWDDKNIICGEX-XVLXNVKGSA-N 1 3 329.488 2.816 20 0 EFADHO CCCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000178926352 521438257 /nfs/dbraw/zinc/43/82/57/521438257.db2.gz ZBMJMYZLZVDTPL-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000154521951 521679625 /nfs/dbraw/zinc/67/96/25/521679625.db2.gz JSRWZKJCPBXREY-INIZCTEOSA-N 1 3 336.549 2.836 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181947243 521691333 /nfs/dbraw/zinc/69/13/33/521691333.db2.gz WAAIMZMTAJVBOK-YJBOKZPZSA-N 1 3 335.467 2.655 20 0 EFADHO CCS[C@@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076067806 521727743 /nfs/dbraw/zinc/72/77/43/521727743.db2.gz UDEUOMCQBNEWID-DLBZAZTESA-N 1 3 341.565 2.581 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000194440455 521928583 /nfs/dbraw/zinc/92/85/83/521928583.db2.gz VSYIWQDDLOVUPS-GOSISDBHSA-N 1 3 330.476 2.840 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000245709663 523822049 /nfs/dbraw/zinc/82/20/49/523822049.db2.gz SNKGSHKXMCHUGC-PKOBYXMFSA-N 1 3 329.488 2.613 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000245709663 523822053 /nfs/dbraw/zinc/82/20/53/523822053.db2.gz SNKGSHKXMCHUGC-PKOBYXMFSA-N 1 3 329.488 2.613 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116529824 524330543 /nfs/dbraw/zinc/33/05/43/524330543.db2.gz NKIDVBTZPHEQJK-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000152205254 524337686 /nfs/dbraw/zinc/33/76/86/524337686.db2.gz FHJINMDAFVEOLL-APWZRJJASA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000072044395 524410865 /nfs/dbraw/zinc/41/08/65/524410865.db2.gz BYWMPFNBMSUIGT-GOSISDBHSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000178859852 524826448 /nfs/dbraw/zinc/82/64/48/524826448.db2.gz ARSBKEKWJKBAKQ-YJBOKZPZSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@@H](C)O1 ZINC000245860172 524943490 /nfs/dbraw/zinc/94/34/90/524943490.db2.gz HTUGULYSYWNZQA-UJWQCDCRSA-N 1 3 336.520 2.813 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263299936 525136972 /nfs/dbraw/zinc/13/69/72/525136972.db2.gz WYBWKNIYKLWKDU-CTNGQTDRSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263133393 525283476 /nfs/dbraw/zinc/28/34/76/525283476.db2.gz BWHHSJMBTNDTJK-SUMDDJOVSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000152436940 525392641 /nfs/dbraw/zinc/39/26/41/525392641.db2.gz MZJUZDKGCGNZTK-HOTGVXAUSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237589308 525799404 /nfs/dbraw/zinc/79/94/04/525799404.db2.gz IMOUKCGYLULBAJ-UYAOXDASSA-N 1 3 329.488 2.547 20 0 EFADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183144727 525896544 /nfs/dbraw/zinc/89/65/44/525896544.db2.gz HMUQZXXFLVKIPR-AEEMCCEDSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144727 525896550 /nfs/dbraw/zinc/89/65/50/525896550.db2.gz HMUQZXXFLVKIPR-AEEMCCEDSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144727 525896560 /nfs/dbraw/zinc/89/65/60/525896560.db2.gz HMUQZXXFLVKIPR-AEEMCCEDSA-N 1 3 348.556 2.989 20 0 EFADHO COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1OC ZINC000067452956 526014308 /nfs/dbraw/zinc/01/43/08/526014308.db2.gz VCBAEMYSYCJQKD-HZPDHXFCSA-N 1 3 336.476 2.683 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCCCC1 ZINC000346106734 534902328 /nfs/dbraw/zinc/90/23/28/534902328.db2.gz JOMBQLNUMVGCMI-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519315 526069973 /nfs/dbraw/zinc/06/99/73/526069973.db2.gz VCSKRWIOUNVGGW-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO COc1cccc(C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000121328096 526078207 /nfs/dbraw/zinc/07/82/07/526078207.db2.gz GORWCVSKMLYDIL-FPOVZHCZSA-N 1 3 346.515 2.699 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000237482293 526093856 /nfs/dbraw/zinc/09/38/56/526093856.db2.gz ZODRUDWXLFRLAO-JXFKEZNVSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000262934898 526099353 /nfs/dbraw/zinc/09/93/53/526099353.db2.gz IFCXWNLCUWLVEZ-APWZRJJASA-N 1 3 329.488 2.718 20 0 EFADHO c1cc([C@@H]2CCC[N@@H+](CCCN3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157607330 526436280 /nfs/dbraw/zinc/43/62/80/526436280.db2.gz SQOGNGIWLCTHNF-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1cc([C@@H]2CCC[N@H+](CCCN3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157607330 526436283 /nfs/dbraw/zinc/43/62/83/526436283.db2.gz SQOGNGIWLCTHNF-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1cc([C@@H]2CCCN(CCC[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157607330 526436288 /nfs/dbraw/zinc/43/62/88/526436288.db2.gz SQOGNGIWLCTHNF-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1cc([C@@H]2CCCN(CCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157607330 526436291 /nfs/dbraw/zinc/43/62/91/526436291.db2.gz SQOGNGIWLCTHNF-CALCHBBNSA-N 1 3 342.491 2.582 20 0 EFADHO c1cncc(CN2CCC(N[C@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000151174397 526546760 /nfs/dbraw/zinc/54/67/60/526546760.db2.gz PECPMHAJEXWODP-NRFANRHFSA-N 1 3 342.531 2.900 20 0 EFADHO c1cncc(CN2CCC(N[C@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000151174397 526546770 /nfs/dbraw/zinc/54/67/70/526546770.db2.gz PECPMHAJEXWODP-NRFANRHFSA-N 1 3 342.531 2.900 20 0 EFADHO NCc1cc(NC(=O)CCC2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000263046857 527249909 /nfs/dbraw/zinc/24/99/09/527249909.db2.gz WJLPRTMJWBCGEA-UHFFFAOYSA-N 1 3 329.366 2.882 20 0 EFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CNC2 ZINC000261545550 527531490 /nfs/dbraw/zinc/53/14/90/527531490.db2.gz CLKGIPYXBNNEMN-UHFFFAOYSA-N 1 3 335.451 2.684 20 0 EFADHO CC(C)OC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177499664 527778873 /nfs/dbraw/zinc/77/88/73/527778873.db2.gz VCLHGFJZCFQXQP-IAGOWNOFSA-N 1 3 340.508 2.539 20 0 EFADHO CC[N@@H+]1CC[C@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469309 527882270 /nfs/dbraw/zinc/88/22/70/527882270.db2.gz BAAXUQUXWJXKON-OPYAIIAOSA-N 1 3 345.531 2.727 20 0 EFADHO CC[N@H+]1CC[C@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469309 527882275 /nfs/dbraw/zinc/88/22/75/527882275.db2.gz BAAXUQUXWJXKON-OPYAIIAOSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469309 527882282 /nfs/dbraw/zinc/88/22/82/527882282.db2.gz BAAXUQUXWJXKON-OPYAIIAOSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000176362525 527893272 /nfs/dbraw/zinc/89/32/72/527893272.db2.gz ZWGXXVHYGJQBQK-MOPGFXCFSA-N 1 3 344.503 2.516 20 0 EFADHO CC(C)Oc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180953587 528222184 /nfs/dbraw/zinc/22/21/84/528222184.db2.gz PSMLOXZVFBTEET-UHFFFAOYSA-N 1 3 333.520 2.932 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)CC1 ZINC000164579699 528255285 /nfs/dbraw/zinc/25/52/85/528255285.db2.gz CDJKMZJVFHAKAR-IBGZPJMESA-N 1 3 329.488 2.677 20 0 EFADHO CCCCN1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187169993 528461701 /nfs/dbraw/zinc/46/17/01/528461701.db2.gz GRNIXVXWTYVJEY-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO CCN1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000159288825 528986478 /nfs/dbraw/zinc/98/64/78/528986478.db2.gz NEJQMQTYIQCMBE-UHFFFAOYSA-N 1 3 333.495 2.907 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181296572 528998586 /nfs/dbraw/zinc/99/85/86/528998586.db2.gz HHOZXUDFNVGEMQ-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154291335 529144786 /nfs/dbraw/zinc/14/47/86/529144786.db2.gz YMMLQEORADNXPL-ZWKOTPCHSA-N 1 3 333.520 2.804 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178003998 529144801 /nfs/dbraw/zinc/14/48/01/529144801.db2.gz CJDPJYYNAFRDAF-KRWDZBQOSA-N 1 3 326.488 2.913 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000154300113 529144828 /nfs/dbraw/zinc/14/48/28/529144828.db2.gz NIPALXUUNXSXOF-KRWDZBQOSA-N 1 3 349.519 2.520 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154264525 529145098 /nfs/dbraw/zinc/14/50/98/529145098.db2.gz FECTXBMBYPDOCK-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000154297572 529145463 /nfs/dbraw/zinc/14/54/63/529145463.db2.gz AYBUKWSXLJZYRQ-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495161 529145465 /nfs/dbraw/zinc/14/54/65/529145465.db2.gz GSMAMROYZKWIBL-SFHVURJKSA-N 1 3 349.544 2.849 20 0 EFADHO CCCN1CCN(c2ccccc2CN(C)CC(C)(C)C[NH3+])CC1 ZINC000414666795 534935568 /nfs/dbraw/zinc/93/55/68/534935568.db2.gz XLVCFAZWNPHZDJ-UHFFFAOYSA-N 1 3 332.536 2.635 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245635636 534944895 /nfs/dbraw/zinc/94/48/95/534944895.db2.gz BYSRGCAHNLYGHE-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245635636 534944901 /nfs/dbraw/zinc/94/49/01/534944901.db2.gz BYSRGCAHNLYGHE-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000361269026 534945601 /nfs/dbraw/zinc/94/56/01/534945601.db2.gz YPBDZOXUBCDGOH-LMMKCTJWSA-N 1 3 326.525 2.605 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794576 535021942 /nfs/dbraw/zinc/02/19/42/535021942.db2.gz HHOREVZCIIKJHA-FUHWJXTLSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794576 535021944 /nfs/dbraw/zinc/02/19/44/535021944.db2.gz HHOREVZCIIKJHA-FUHWJXTLSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000236767907 535055217 /nfs/dbraw/zinc/05/52/17/535055217.db2.gz MLAUFIVPFORQQT-MDZRGWNJSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417225842 535060925 /nfs/dbraw/zinc/06/09/25/535060925.db2.gz YQXPQUBGFYGSMK-NZSAHSFTSA-N 1 3 346.519 2.837 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417225843 535061769 /nfs/dbraw/zinc/06/17/69/535061769.db2.gz YQXPQUBGFYGSMK-QXAKKESOSA-N 1 3 346.519 2.837 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCC1 ZINC000356280898 535143093 /nfs/dbraw/zinc/14/30/93/535143093.db2.gz NWJAWYMDACUUGN-YJBOKZPZSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000344636494 535164841 /nfs/dbraw/zinc/16/48/41/535164841.db2.gz GOZXHDISXJIBDC-ICSRJNTNSA-N 1 3 345.531 2.647 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000356226568 535172325 /nfs/dbraw/zinc/17/23/25/535172325.db2.gz TWPPPNRZBMUOEQ-OKZBNKHCSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000356226568 535172333 /nfs/dbraw/zinc/17/23/33/535172333.db2.gz TWPPPNRZBMUOEQ-OKZBNKHCSA-N 1 3 338.540 2.669 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418432025 535187996 /nfs/dbraw/zinc/18/79/96/535187996.db2.gz YKNAJRDOXOVXOO-QGZVFWFLSA-N 1 3 346.519 2.810 20 0 EFADHO CCC([NH3+])(CC)CNCc1ccccc1N(C)C1CCN(C)CC1 ZINC000414816037 535193845 /nfs/dbraw/zinc/19/38/45/535193845.db2.gz YYGDVBYJGWOORU-UHFFFAOYSA-N 1 3 332.536 2.824 20 0 EFADHO CCCN(C(=O)C1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236755510 535198354 /nfs/dbraw/zinc/19/83/54/535198354.db2.gz PGOAFXVJJJCECX-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C(=O)Nc1cccc(OCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000414874025 535226815 /nfs/dbraw/zinc/22/68/15/535226815.db2.gz AMOSVHXDONRYSN-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)C1 ZINC000418654947 535265455 /nfs/dbraw/zinc/26/54/55/535265455.db2.gz QESIHSPJBRXJEG-VQIMIIECSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)C1 ZINC000418654947 535265457 /nfs/dbraw/zinc/26/54/57/535265457.db2.gz QESIHSPJBRXJEG-VQIMIIECSA-N 1 3 346.519 2.622 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000341436612 535266538 /nfs/dbraw/zinc/26/65/38/535266538.db2.gz VLPQZKANCWEKQN-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CC1(C)CCCN[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000423310542 535297629 /nfs/dbraw/zinc/29/76/29/535297629.db2.gz NTSKXIGRODBFJZ-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662137 535323912 /nfs/dbraw/zinc/32/39/12/535323912.db2.gz DTUTUAYFXIBPES-VAMGGRTRSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662137 535323913 /nfs/dbraw/zinc/32/39/13/535323913.db2.gz DTUTUAYFXIBPES-VAMGGRTRSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)CCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348973832 535386446 /nfs/dbraw/zinc/38/64/46/535386446.db2.gz JPBKLPOFKZYMDN-IBGZPJMESA-N 1 3 331.504 2.591 20 0 EFADHO CC[NH2+]CC1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000430582851 535458445 /nfs/dbraw/zinc/45/84/45/535458445.db2.gz LYQVOQQFAJDVSE-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418333691 535513537 /nfs/dbraw/zinc/51/35/37/535513537.db2.gz SHDMPFBCBZNAJY-SFHVURJKSA-N 1 3 332.492 2.547 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000414783965 535558369 /nfs/dbraw/zinc/55/83/69/535558369.db2.gz IBZUKAOMSBOLNX-CVEARBPZSA-N 1 3 348.491 2.621 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000266022617 535599544 /nfs/dbraw/zinc/59/95/44/535599544.db2.gz XHNVLNBTLDAMJF-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359217089 535610463 /nfs/dbraw/zinc/61/04/63/535610463.db2.gz CMWALDFBMVHIPG-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416834926 535658187 /nfs/dbraw/zinc/65/81/87/535658187.db2.gz DYDCQNMJMXEBQT-MJGOQNOKSA-N 1 3 346.519 2.758 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359372135 535659370 /nfs/dbraw/zinc/65/93/70/535659370.db2.gz FNINFZKLQOGWQS-HKUYNNGSSA-N 1 3 344.503 2.605 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1cccc(OC)c1 ZINC000423316156 535674559 /nfs/dbraw/zinc/67/45/59/535674559.db2.gz YBEAWSGUVMYEEF-AYOQOUSVSA-N 1 3 347.503 2.582 20 0 EFADHO CCN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418566167 535678971 /nfs/dbraw/zinc/67/89/71/535678971.db2.gz ADRBNIQTDNGAEG-OTWHNJEPSA-N 1 3 344.503 2.562 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000355607717 535697911 /nfs/dbraw/zinc/69/79/11/535697911.db2.gz ZTSDNYVFWDOBIA-SFHVURJKSA-N 1 3 332.492 2.581 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000349657709 535698348 /nfs/dbraw/zinc/69/83/48/535698348.db2.gz WWCBJZGFTUFDTP-UHFFFAOYSA-N 1 3 328.504 2.902 20 0 EFADHO CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)n1 ZINC000351713819 535749918 /nfs/dbraw/zinc/74/99/18/535749918.db2.gz XDLGKWXTWDWSIW-IEBWSBKVSA-N 1 3 348.535 2.716 20 0 EFADHO CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)n1 ZINC000351713819 535749924 /nfs/dbraw/zinc/74/99/24/535749924.db2.gz XDLGKWXTWDWSIW-IEBWSBKVSA-N 1 3 348.535 2.716 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000343592986 535753596 /nfs/dbraw/zinc/75/35/96/535753596.db2.gz ALDXFQHBQGFJBL-PMACEKPBSA-N 1 3 342.531 2.545 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000343592986 535753601 /nfs/dbraw/zinc/75/36/01/535753601.db2.gz ALDXFQHBQGFJBL-PMACEKPBSA-N 1 3 342.531 2.545 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246220870 535771771 /nfs/dbraw/zinc/77/17/71/535771771.db2.gz GTIMRCXPRBMCSE-VAMGGRTRSA-N 1 3 343.515 2.875 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418392634 535771984 /nfs/dbraw/zinc/77/19/84/535771984.db2.gz WKSORHANGPNNLW-MOPGFXCFSA-N 1 3 346.519 2.523 20 0 EFADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696064 535773689 /nfs/dbraw/zinc/77/36/89/535773689.db2.gz ATIXSXCKXTWDTN-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414696064 535773690 /nfs/dbraw/zinc/77/36/90/535773690.db2.gz ATIXSXCKXTWDTN-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000359779057 535781766 /nfs/dbraw/zinc/78/17/66/535781766.db2.gz TWUILBARZNQEQI-HNAYVOBHSA-N 1 3 329.488 2.693 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000344534759 535781947 /nfs/dbraw/zinc/78/19/47/535781947.db2.gz RRPYMZJICKDWDM-CMKODMSKSA-N 1 3 345.531 2.816 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCO2 ZINC000363783171 535808411 /nfs/dbraw/zinc/80/84/11/535808411.db2.gz JABXFARHDZFZND-UYAOXDASSA-N 1 3 343.515 2.831 20 0 EFADHO CC[C@@H](O)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000344484880 535811168 /nfs/dbraw/zinc/81/11/68/535811168.db2.gz XLRALMMKWAUCRH-LJQANCHMSA-N 1 3 333.520 2.858 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342622902 535872732 /nfs/dbraw/zinc/87/27/32/535872732.db2.gz FVWPHHJIZFJROA-UXHICEINSA-N 1 3 345.531 2.848 20 0 EFADHO CN(C)Cc1cccc(NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000324827812 536040971 /nfs/dbraw/zinc/04/09/71/536040971.db2.gz YCUJYUQJSXFWSZ-UHFFFAOYSA-N 1 3 326.444 2.727 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921264 536306189 /nfs/dbraw/zinc/30/61/89/536306189.db2.gz HOUIWKMPIIKZPK-SJPCQFCGSA-N 1 3 337.414 2.850 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921264 536306191 /nfs/dbraw/zinc/30/61/91/536306191.db2.gz HOUIWKMPIIKZPK-SJPCQFCGSA-N 1 3 337.414 2.850 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359506139 536406067 /nfs/dbraw/zinc/40/60/67/536406067.db2.gz BPOKXYGGJYLPIN-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359506139 536406071 /nfs/dbraw/zinc/40/60/71/536406071.db2.gz BPOKXYGGJYLPIN-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO C[N@H+](C[C@H](O)Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364996023 536443193 /nfs/dbraw/zinc/44/31/93/536443193.db2.gz QZDOFQWVVXAMAG-OAQYLSRUSA-N 1 3 339.483 2.833 20 0 EFADHO C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364996023 536443196 /nfs/dbraw/zinc/44/31/96/536443196.db2.gz QZDOFQWVVXAMAG-OAQYLSRUSA-N 1 3 339.483 2.833 20 0 EFADHO COc1ccc(Cl)cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000344028002 536555561 /nfs/dbraw/zinc/55/55/61/536555561.db2.gz LNDQKCPBHLRMMO-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000264954066 536572655 /nfs/dbraw/zinc/57/26/55/536572655.db2.gz CNOHYDSUQUXNCB-CYBMUJFWSA-N 1 3 339.867 2.561 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000264954066 536572663 /nfs/dbraw/zinc/57/26/63/536572663.db2.gz CNOHYDSUQUXNCB-CYBMUJFWSA-N 1 3 339.867 2.561 20 0 EFADHO COC1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCCCC1 ZINC000359957372 536680087 /nfs/dbraw/zinc/68/00/87/536680087.db2.gz IACYKLIEMZMXEK-UHFFFAOYSA-N 1 3 345.531 2.873 20 0 EFADHO COC1(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCCC1 ZINC000359740593 536680338 /nfs/dbraw/zinc/68/03/38/536680338.db2.gz USMPDNUCQLGFDB-UHFFFAOYSA-N 1 3 332.488 2.692 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785434 536866144 /nfs/dbraw/zinc/86/61/44/536866144.db2.gz SSVKHPIJSMLUEN-GJZGRUSLSA-N 1 3 334.460 2.534 20 0 EFADHO COc1ccc(-c2ccccc2)cc1CNCCCN1CC[NH2+]CC1 ZINC000414783226 536897026 /nfs/dbraw/zinc/89/70/26/536897026.db2.gz QDXJTSLQADGZMM-UHFFFAOYSA-N 1 3 339.483 2.747 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000279979628 545649710 /nfs/dbraw/zinc/64/97/10/545649710.db2.gz DKZVKUFMBWJSGQ-RDJZCZTQSA-N 1 3 336.476 2.638 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333158107 545868106 /nfs/dbraw/zinc/86/81/06/545868106.db2.gz NJFLMMTZDOPESS-MOPGFXCFSA-N 1 3 348.535 2.973 20 0 EFADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339070227 545922206 /nfs/dbraw/zinc/92/22/06/545922206.db2.gz ZSFCAHPBXYXSMR-SJORKVTESA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339070227 545922208 /nfs/dbraw/zinc/92/22/08/545922208.db2.gz ZSFCAHPBXYXSMR-SJORKVTESA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339070227 545922212 /nfs/dbraw/zinc/92/22/12/545922212.db2.gz ZSFCAHPBXYXSMR-SJORKVTESA-N 1 3 345.462 2.647 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CCO1 ZINC000339073634 545922275 /nfs/dbraw/zinc/92/22/75/545922275.db2.gz CBSHWVMNVUPCEV-UIFIKXQLSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CCO1 ZINC000339073634 545922278 /nfs/dbraw/zinc/92/22/78/545922278.db2.gz CBSHWVMNVUPCEV-UIFIKXQLSA-N 1 3 343.515 2.624 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339076663 545922469 /nfs/dbraw/zinc/92/24/69/545922469.db2.gz WTMSOTCSDVXERA-MOPGFXCFSA-N 1 3 344.499 2.960 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339076663 545922476 /nfs/dbraw/zinc/92/24/76/545922476.db2.gz WTMSOTCSDVXERA-MOPGFXCFSA-N 1 3 344.499 2.960 20 0 EFADHO O=C(c1ccccc1F)N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339070225 545922527 /nfs/dbraw/zinc/92/25/27/545922527.db2.gz ZSFCAHPBXYXSMR-IRXDYDNUSA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339070225 545922529 /nfs/dbraw/zinc/92/25/29/545922529.db2.gz ZSFCAHPBXYXSMR-IRXDYDNUSA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339070225 545922533 /nfs/dbraw/zinc/92/25/33/545922533.db2.gz ZSFCAHPBXYXSMR-IRXDYDNUSA-N 1 3 345.462 2.647 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000339227696 545924483 /nfs/dbraw/zinc/92/44/83/545924483.db2.gz BJZZWIGQQMGZAU-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000339227696 545924487 /nfs/dbraw/zinc/92/44/87/545924487.db2.gz BJZZWIGQQMGZAU-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339240750 545926223 /nfs/dbraw/zinc/92/62/23/545926223.db2.gz QUWOJMUYAUUHOA-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339240750 545926224 /nfs/dbraw/zinc/92/62/24/545926224.db2.gz QUWOJMUYAUUHOA-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2nc3ccccc3nc2C)C1 ZINC000350211690 546016049 /nfs/dbraw/zinc/01/60/49/546016049.db2.gz KUQGVTYTPNCTDS-KRWDZBQOSA-N 1 3 342.487 2.871 20 0 EFADHO O=C1CC2(CN1)CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411305102 546173575 /nfs/dbraw/zinc/17/35/75/546173575.db2.gz UEXVQSOUTCEFRP-UHFFFAOYSA-N 1 3 341.499 2.775 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414934895 546194617 /nfs/dbraw/zinc/19/46/17/546194617.db2.gz YHGBCFHWEHFVAT-XYPHTWIQSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414934895 546194620 /nfs/dbraw/zinc/19/46/20/546194620.db2.gz YHGBCFHWEHFVAT-XYPHTWIQSA-N 1 3 337.895 2.937 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416837548 546204577 /nfs/dbraw/zinc/20/45/77/546204577.db2.gz HYUQVTUKBXALNG-FGTMMUONSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850841 546211554 /nfs/dbraw/zinc/21/15/54/546211554.db2.gz XTLIWGVTUKUKDH-QXCFHYIPSA-N 1 3 344.503 2.609 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418186091 546214107 /nfs/dbraw/zinc/21/41/07/546214107.db2.gz RNOZEGUONWRQHY-OVWQWFNUSA-N 1 3 332.492 2.555 20 0 EFADHO CC[C@@]1(CO)CCCN([C@@H](C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460924 546220721 /nfs/dbraw/zinc/22/07/21/546220721.db2.gz NVVVGPHCWNUSCK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO CC[C@@]1(CO)CCCN([C@@H](C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460924 546220725 /nfs/dbraw/zinc/22/07/25/546220725.db2.gz NVVVGPHCWNUSCK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Br)cn1 ZINC000515466397 546298238 /nfs/dbraw/zinc/29/82/38/546298238.db2.gz WARINDGLIJTIFT-GXTWGEPZSA-N 1 3 344.297 2.852 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000532450915 546314620 /nfs/dbraw/zinc/31/46/20/546314620.db2.gz MSMIANCKTKADIG-QGZVFWFLSA-N 1 3 337.508 2.980 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccsc1 ZINC000655444822 546450516 /nfs/dbraw/zinc/45/05/16/546450516.db2.gz QYTRWUZSCQCTBX-JZXOWHBKSA-N 1 3 335.517 2.637 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H]1c1cccs1 ZINC000655448947 546450723 /nfs/dbraw/zinc/45/07/23/546450723.db2.gz BCAICPKIKTWKNU-YEWFCNIMSA-N 1 3 347.528 2.637 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447066 546450737 /nfs/dbraw/zinc/45/07/37/546450737.db2.gz OOPUINQYWXPFEM-LKUPVBHCSA-N 1 3 341.499 2.718 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H]1c1cccs1 ZINC000655448946 546450788 /nfs/dbraw/zinc/45/07/88/546450788.db2.gz BCAICPKIKTWKNU-WXSAJPJJSA-N 1 3 347.528 2.637 20 0 EFADHO CCOCc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655688102 546533685 /nfs/dbraw/zinc/53/36/85/546533685.db2.gz KVBDQLMHDJZEHP-HXUWFJFHSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@@H]1CCC[C@@](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)(N(C)C)C1 ZINC000655697818 546538552 /nfs/dbraw/zinc/53/85/52/546538552.db2.gz WJWWZPNGPFPRDP-YZGWKJHDSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655698700 546538846 /nfs/dbraw/zinc/53/88/46/546538846.db2.gz UNKDVWRQLPIUOO-IEBWSBKVSA-N 1 3 337.552 2.730 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698214 546539078 /nfs/dbraw/zinc/53/90/78/546539078.db2.gz ZZYWAMRHTILHRI-PMACEKPBSA-N 1 3 349.494 2.661 20 0 EFADHO C[C@@H]1CCC[C@@](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)(N(C)C)C1 ZINC000655697812 546539305 /nfs/dbraw/zinc/53/93/05/546539305.db2.gz WJWWZPNGPFPRDP-MISYRCLQSA-N 1 3 337.552 2.730 20 0 EFADHO CCN(CC)[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccco1 ZINC000655703983 546541143 /nfs/dbraw/zinc/54/11/43/546541143.db2.gz XPVNPZLWMKTRPR-ZWKOTPCHSA-N 1 3 335.492 2.505 20 0 EFADHO Cc1ccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655703722 546541855 /nfs/dbraw/zinc/54/18/55/546541855.db2.gz UIJBXVZDIQHEOH-NHCUHLMSSA-N 1 3 345.531 2.831 20 0 EFADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655711847 546544111 /nfs/dbraw/zinc/54/41/11/546544111.db2.gz OCPFBUVECJHSRB-PKOBYXMFSA-N 1 3 337.552 2.730 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2F)nc1C ZINC000655745827 546562499 /nfs/dbraw/zinc/56/24/99/546562499.db2.gz FSHZRLNRTKHZRV-KRWDZBQOSA-N 1 3 348.466 2.766 20 0 EFADHO c1cc(NC2CCN([C@H]3CCOC3)CC2)ccc1CC[NH+]1CCCC1 ZINC000655749394 546565371 /nfs/dbraw/zinc/56/53/71/546565371.db2.gz CUUITMMENOOFDQ-NRFANRHFSA-N 1 3 343.515 2.990 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000655750999 546565847 /nfs/dbraw/zinc/56/58/47/546565847.db2.gz IWXORQGSGMMIEE-BBTUJRGHSA-N 1 3 349.563 2.872 20 0 EFADHO C[NH2+]C[C@@](C)(O)CN1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655947991 546649933 /nfs/dbraw/zinc/64/99/33/546649933.db2.gz VYUYGFBUJRJSGM-GOSISDBHSA-N 1 3 326.431 2.580 20 0 EFADHO CNC[C@@](C)(O)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655947991 546649939 /nfs/dbraw/zinc/64/99/39/546649939.db2.gz VYUYGFBUJRJSGM-GOSISDBHSA-N 1 3 326.431 2.580 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000655973111 546656117 /nfs/dbraw/zinc/65/61/17/546656117.db2.gz CBHJLHAOCFYGSF-WJFTUGDTSA-N 1 3 348.535 2.567 20 0 EFADHO COc1cc(CC[NH2+]C2CCN(c3ccncc3)CC2)ccc1O ZINC000656501104 546822119 /nfs/dbraw/zinc/82/21/19/546822119.db2.gz DAHMWFCDNVRHKM-UHFFFAOYSA-N 1 3 327.428 2.597 20 0 EFADHO O=C(NC1CC1)c1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785134 546923141 /nfs/dbraw/zinc/92/31/41/546923141.db2.gz JJEZZGYJFSWDQT-IBGZPJMESA-N 1 3 341.499 2.790 20 0 EFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(OC)c1OC ZINC000656785957 546924597 /nfs/dbraw/zinc/92/45/97/546924597.db2.gz OGASCFBGBLSHJK-MRXNPFEDSA-N 1 3 348.487 2.924 20 0 EFADHO CCCOc1ccc(C[NH2+]CCCN2CCN(CC)CC2)c(C)c1 ZINC000657307340 547100550 /nfs/dbraw/zinc/10/05/50/547100550.db2.gz AZNZATSMVQLOJU-UHFFFAOYSA-N 1 3 333.520 2.901 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1 ZINC000657364261 547132404 /nfs/dbraw/zinc/13/24/04/547132404.db2.gz JZMNUIHESMEAMS-QGZVFWFLSA-N 1 3 332.488 2.984 20 0 EFADHO c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)n(CC2CC2)n1 ZINC000657425585 547158531 /nfs/dbraw/zinc/15/85/31/547158531.db2.gz MDOKDSLBXTUQOS-UHFFFAOYSA-N 1 3 325.460 2.694 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835450 547297939 /nfs/dbraw/zinc/29/79/39/547297939.db2.gz GGOPBXCBPWNBRI-UONOGXRCSA-N 1 3 326.435 2.696 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657837206 547298398 /nfs/dbraw/zinc/29/83/98/547298398.db2.gz RKFOKMHREHBRLQ-SJORKVTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657837206 547298405 /nfs/dbraw/zinc/29/84/05/547298405.db2.gz RKFOKMHREHBRLQ-SJORKVTESA-N 1 3 327.476 2.831 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2(OC)CCC2)CC1 ZINC000657838991 547299162 /nfs/dbraw/zinc/29/91/62/547299162.db2.gz JCTMBFXRDHMWHE-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO c1cnc2c(c1)CCC[C@H]2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000658070497 547347526 /nfs/dbraw/zinc/34/75/26/547347526.db2.gz PKOSHRPSOAMFAF-LJQANCHMSA-N 1 3 329.488 2.940 20 0 EFADHO c1cn2c(n1)[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658162242 547377809 /nfs/dbraw/zinc/37/78/09/547377809.db2.gz CYLJREFDWIKNQE-SFHVURJKSA-N 1 3 325.460 2.615 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163765 547377951 /nfs/dbraw/zinc/37/79/51/547377951.db2.gz AVRMZJYMUPIQGE-IBGZPJMESA-N 1 3 339.487 2.694 20 0 EFADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccn(C)n1 ZINC000658163841 547377961 /nfs/dbraw/zinc/37/79/61/547377961.db2.gz BNAQWWMRYFEUFS-GOSISDBHSA-N 1 3 327.476 2.768 20 0 EFADHO C([C@@H]1CCCO1)N1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000658231548 547393117 /nfs/dbraw/zinc/39/31/17/547393117.db2.gz VNPOLOOGXLSPBJ-QUCCMNQESA-N 1 3 335.536 2.626 20 0 EFADHO C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C(C)(C)C ZINC000670268219 547465131 /nfs/dbraw/zinc/46/51/31/547465131.db2.gz OXFWYKGPKSEPGE-WMZOPIPTSA-N 1 3 333.520 2.547 20 0 EFADHO Cn1cc(CCCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000671723452 547659352 /nfs/dbraw/zinc/65/93/52/547659352.db2.gz ZMLAASXBXOEDFY-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cc(CCCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000671723452 547659353 /nfs/dbraw/zinc/65/93/53/547659353.db2.gz ZMLAASXBXOEDFY-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747977 547665371 /nfs/dbraw/zinc/66/53/71/547665371.db2.gz CYGALZSPVWJCSL-KGLIPLIRSA-N 1 3 345.443 2.685 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000672516694 547762338 /nfs/dbraw/zinc/76/23/38/547762338.db2.gz ZBQOHSGSZWQDDE-DLBZAZTESA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000672516694 547762341 /nfs/dbraw/zinc/76/23/41/547762341.db2.gz ZBQOHSGSZWQDDE-DLBZAZTESA-N 1 3 347.503 2.620 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000672942306 547832722 /nfs/dbraw/zinc/83/27/22/547832722.db2.gz CSDUPFNWUUDQGA-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000672942309 547833008 /nfs/dbraw/zinc/83/30/08/547833008.db2.gz CSDUPFNWUUDQGA-UHOSZYNNSA-N 1 3 346.519 2.851 20 0 EFADHO COC[C@@H]1CCCN1Cc1cccc(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000674500211 548099996 /nfs/dbraw/zinc/09/99/96/548099996.db2.gz RQTJKOHDZSMJJD-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@@H]1CCCN1Cc1cccc(C[N@H+]2CCC[C@H]2COC)c1 ZINC000674500211 548100002 /nfs/dbraw/zinc/10/00/02/548100002.db2.gz RQTJKOHDZSMJJD-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO c1cnn(-c2ccccc2CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674676619 548122336 /nfs/dbraw/zinc/12/23/36/548122336.db2.gz UVRPHOOTEPSYDK-IBGZPJMESA-N 1 3 340.471 2.605 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000675176700 548219481 /nfs/dbraw/zinc/21/94/81/548219481.db2.gz IEDHEMSGNSNSKQ-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000675176700 548219486 /nfs/dbraw/zinc/21/94/86/548219486.db2.gz IEDHEMSGNSNSKQ-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000675176721 548220207 /nfs/dbraw/zinc/22/02/07/548220207.db2.gz IHZQVUOPMWAUJJ-OKZBNKHCSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000675196093 548227145 /nfs/dbraw/zinc/22/71/45/548227145.db2.gz ZHBPULWAEUGJQE-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)[C@@H](C)C1 ZINC000675916510 548375479 /nfs/dbraw/zinc/37/54/79/548375479.db2.gz ZVSMQKNCIUVIOG-GJJHYRHESA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676541379 548496116 /nfs/dbraw/zinc/49/61/16/548496116.db2.gz CTTBILRSOKVERS-SCTDSRPQSA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676541379 548496120 /nfs/dbraw/zinc/49/61/20/548496120.db2.gz CTTBILRSOKVERS-SCTDSRPQSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000677737297 548760805 /nfs/dbraw/zinc/76/08/05/548760805.db2.gz AXMLSXSGWPUQLG-UHFFFAOYSA-N 1 3 325.541 2.682 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000678195324 548863231 /nfs/dbraw/zinc/86/32/31/548863231.db2.gz OWMOTZNWRCSABK-UHFFFAOYSA-N 1 3 327.476 2.820 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000678195324 548863234 /nfs/dbraw/zinc/86/32/34/548863234.db2.gz OWMOTZNWRCSABK-UHFFFAOYSA-N 1 3 327.476 2.820 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000678285542 548890432 /nfs/dbraw/zinc/89/04/32/548890432.db2.gz MCIIETDUEYKUKI-FQEVSTJZSA-N 1 3 345.531 2.791 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000678285542 548890436 /nfs/dbraw/zinc/89/04/36/548890436.db2.gz MCIIETDUEYKUKI-FQEVSTJZSA-N 1 3 345.531 2.791 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000678339499 548903138 /nfs/dbraw/zinc/90/31/38/548903138.db2.gz NNIXBCNTKTXPRF-VQIMIIECSA-N 1 3 337.471 2.716 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000678339499 548903143 /nfs/dbraw/zinc/90/31/43/548903143.db2.gz NNIXBCNTKTXPRF-VQIMIIECSA-N 1 3 337.471 2.716 20 0 EFADHO C[C@H]1C[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@@H+]1C ZINC000679131821 549062454 /nfs/dbraw/zinc/06/24/54/549062454.db2.gz QFSZMEWGTQVHHY-QFBILLFUSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@H]1C[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@H+]1C ZINC000679131821 549062456 /nfs/dbraw/zinc/06/24/56/549062456.db2.gz QFSZMEWGTQVHHY-QFBILLFUSA-N 1 3 331.504 2.786 20 0 EFADHO CC[NH+]1CCC(CN[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000679340984 549106005 /nfs/dbraw/zinc/10/60/05/549106005.db2.gz VKSQGVIIOCUVQS-LJQANCHMSA-N 1 3 330.451 2.970 20 0 EFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCC[C@H]3O)CC2)c1C ZINC000680052591 549243536 /nfs/dbraw/zinc/24/35/36/549243536.db2.gz FPYOVJFRZFKRSP-RTBURBONSA-N 1 3 325.456 2.887 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680269985 549284955 /nfs/dbraw/zinc/28/49/55/549284955.db2.gz NHJJMJDZRORYQX-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680269985 549284957 /nfs/dbraw/zinc/28/49/57/549284957.db2.gz NHJJMJDZRORYQX-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000681298982 549503888 /nfs/dbraw/zinc/50/38/88/549503888.db2.gz ZCPNTMBROSWVBJ-FUHWJXTLSA-N 1 3 331.504 2.886 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000681298983 549504943 /nfs/dbraw/zinc/50/49/43/549504943.db2.gz ZCPNTMBROSWVBJ-SJLPKXTDSA-N 1 3 331.504 2.886 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000681790382 549614586 /nfs/dbraw/zinc/61/45/86/549614586.db2.gz HSGDXCCZEWDRFK-BHIYHBOVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H](NC(=O)Nc1ccccc1CCN(C)C)C1CC[NH+](C)CC1 ZINC000682109222 549699028 /nfs/dbraw/zinc/69/90/28/549699028.db2.gz LNLJIWMCHNGUEA-HNNXBMFYSA-N 1 3 332.492 2.643 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1CCN(C)C ZINC000682107121 549699118 /nfs/dbraw/zinc/69/91/18/549699118.db2.gz LLCNTJXUMPDVPU-QGZVFWFLSA-N 1 3 332.492 2.787 20 0 EFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCCn1ccccc1=O ZINC000682533261 549760152 /nfs/dbraw/zinc/76/01/52/549760152.db2.gz CKOFAZJHOGTEPI-ROUUACIJSA-N 1 3 339.483 2.595 20 0 EFADHO C[C@H](c1nc2ccccc2s1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682703526 549792114 /nfs/dbraw/zinc/79/21/14/549792114.db2.gz INGGPAVFUYQOGA-OAHLLOKOSA-N 1 3 344.528 2.975 20 0 EFADHO O=C([C@H]1CCCN1C1CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683844035 549954199 /nfs/dbraw/zinc/95/41/99/549954199.db2.gz IMLLBNNCTYSBFH-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCC1(O)CC[NH+](C(C)C)CC1)CC2 ZINC000684551970 550057487 /nfs/dbraw/zinc/05/74/87/550057487.db2.gz DLSZNLPBPQCJRH-QGZVFWFLSA-N 1 3 348.487 2.516 20 0 EFADHO C[C@@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684561156 550058778 /nfs/dbraw/zinc/05/87/78/550058778.db2.gz XZAQTWMCTOQVJU-DOMZBBRYSA-N 1 3 346.393 2.939 20 0 EFADHO CCc1[nH+]c2ccccc2c(N2CCN(C(C)(C)CO)CC2)c1C ZINC000684890460 550109359 /nfs/dbraw/zinc/10/93/59/550109359.db2.gz YAGGGERSSOVQAB-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(OCCN(C)C)cc1 ZINC000685442919 550152101 /nfs/dbraw/zinc/15/21/01/550152101.db2.gz HURVHDLOHWURNN-MJGOQNOKSA-N 1 3 331.504 2.686 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000685449092 550152698 /nfs/dbraw/zinc/15/26/98/550152698.db2.gz VLELQNCNWVXVJM-FXAWDEMLSA-N 1 3 331.504 2.686 20 0 EFADHO CN(Cc1cccc2cc[nH]c21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457459 550154489 /nfs/dbraw/zinc/15/44/89/550154489.db2.gz COHNGKQVBIWFOE-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1cccc2cc[nH]c21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457459 550154492 /nfs/dbraw/zinc/15/44/92/550154492.db2.gz COHNGKQVBIWFOE-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000685929882 550196485 /nfs/dbraw/zinc/19/64/85/550196485.db2.gz BAGNHLSDHIWXCR-YQVWRLOYSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000685929882 550196488 /nfs/dbraw/zinc/19/64/88/550196488.db2.gz BAGNHLSDHIWXCR-YQVWRLOYSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1C1CC1 ZINC000753944496 575364240 /nfs/dbraw/zinc/36/42/40/575364240.db2.gz BDEAVCUARNEOES-YJBOKZPZSA-N 1 3 344.503 2.515 20 0 EFADHO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000754159660 575399864 /nfs/dbraw/zinc/39/98/64/575399864.db2.gz FLZIQVMUPPIBSW-DLBZAZTESA-N 1 3 346.519 2.791 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCCCCC[NH+](C)C ZINC000758408189 575869022 /nfs/dbraw/zinc/86/90/22/575869022.db2.gz RTELZVZPIUXBDV-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCN2CCOC2=O)CC1 ZINC000763433264 576377394 /nfs/dbraw/zinc/37/73/94/576377394.db2.gz POLKPZMJWWGFKB-KRWDZBQOSA-N 1 3 337.508 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCN2CCOC2=O)CC1 ZINC000763433264 576377396 /nfs/dbraw/zinc/37/73/96/576377396.db2.gz POLKPZMJWWGFKB-KRWDZBQOSA-N 1 3 337.508 2.805 20 0 EFADHO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000763525433 576380194 /nfs/dbraw/zinc/38/01/94/576380194.db2.gz PMHGLWMROSGQOQ-CRAIPNDOSA-N 1 3 332.444 2.822 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764661797 576486620 /nfs/dbraw/zinc/48/66/20/576486620.db2.gz HCNPYYVGDMNPKX-FPOVZHCZSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@H](NCCC[NH+]1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764661797 576486622 /nfs/dbraw/zinc/48/66/22/576486622.db2.gz HCNPYYVGDMNPKX-FPOVZHCZSA-N 1 3 345.531 2.742 20 0 EFADHO CN(C)c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765036498 576539309 /nfs/dbraw/zinc/53/93/09/576539309.db2.gz CEVNDQWCEJJLJT-NQIIRXRSSA-N 1 3 342.531 2.938 20 0 EFADHO CN(C)c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765036498 576539311 /nfs/dbraw/zinc/53/93/11/576539311.db2.gz CEVNDQWCEJJLJT-NQIIRXRSSA-N 1 3 342.531 2.938 20 0 EFADHO CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765036498 576539313 /nfs/dbraw/zinc/53/93/13/576539313.db2.gz CEVNDQWCEJJLJT-NQIIRXRSSA-N 1 3 342.531 2.938 20 0 EFADHO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000765631247 577061258 /nfs/dbraw/zinc/06/12/58/577061258.db2.gz QEJFYZDIANOLCW-NVXWUHKLSA-N 1 3 349.475 2.508 20 0 EFADHO CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1(C)C ZINC000765813823 577080066 /nfs/dbraw/zinc/08/00/66/577080066.db2.gz VMDQLDQBLXORSW-RBUKOAKNSA-N 1 3 337.552 2.727 20 0 EFADHO Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000765884337 577085218 /nfs/dbraw/zinc/08/52/18/577085218.db2.gz IGYHMMDHXZEPEY-LJQANCHMSA-N 1 3 329.488 2.515 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925868 577242957 /nfs/dbraw/zinc/24/29/57/577242957.db2.gz GIGMOGABFXFWKV-WOJBJXKFSA-N 1 3 325.456 2.702 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC(C3(C)OCCO3)CC2)cc1 ZINC000769399987 577359241 /nfs/dbraw/zinc/35/92/41/577359241.db2.gz ZHQUUTUQUKMBTR-UHFFFAOYSA-N 1 3 348.487 2.602 20 0 EFADHO CCN1CCCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000769616266 577375474 /nfs/dbraw/zinc/37/54/74/577375474.db2.gz MRQWZNFCMFEPHG-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)NCC1CCN(c2ccncc2)CC1 ZINC000771817793 581246672 /nfs/dbraw/zinc/24/66/72/581246672.db2.gz FRLSVCYRJTUGAZ-UHFFFAOYSA-N 1 3 344.503 2.680 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000772875657 581376803 /nfs/dbraw/zinc/37/68/03/581376803.db2.gz UJWQQOIINRFQIA-QXSJWSMHSA-N 1 3 344.446 2.960 20 0 EFADHO COC1CCN(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CCCC2)CC1 ZINC000774173993 581486436 /nfs/dbraw/zinc/48/64/36/581486436.db2.gz MPYJUEZPBHLHOA-AYHJJNSGSA-N 1 3 335.536 2.625 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168054166 1249232029 /nfs/dbraw/zinc/23/20/29/1249232029.db2.gz KPJQRFWXKKKUFS-CYBMUJFWSA-N 1 3 345.409 2.543 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001771714173 1250111999 /nfs/dbraw/zinc/11/19/99/1250111999.db2.gz SORDFIJYOLZGTN-GOSISDBHSA-N 1 3 333.520 2.992 20 0 EFADHO CC[C@@]1(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC[NH2+]C1 ZINC000398129348 1250193009 /nfs/dbraw/zinc/19/30/09/1250193009.db2.gz JBOWFOPBWFCVHC-UYAOXDASSA-N 1 3 331.504 2.649 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000850433806 1250484663 /nfs/dbraw/zinc/48/46/63/1250484663.db2.gz QOMRMOWYYCUCKX-GTPINHCMSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC(F)(F)CN2)CC1 ZINC000717538568 1251367498 /nfs/dbraw/zinc/36/74/98/1251367498.db2.gz WXBRGGBBYDTFON-SFHVURJKSA-N 1 3 337.458 2.828 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC(F)(F)CN2)CC1 ZINC000717538568 1251367505 /nfs/dbraw/zinc/36/75/05/1251367505.db2.gz WXBRGGBBYDTFON-SFHVURJKSA-N 1 3 337.458 2.828 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC001029970027 1251399123 /nfs/dbraw/zinc/39/91/23/1251399123.db2.gz IQLNLQRLAJJYJT-GOSISDBHSA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC001029970027 1251399134 /nfs/dbraw/zinc/39/91/34/1251399134.db2.gz IQLNLQRLAJJYJT-GOSISDBHSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001752807524 1251443964 /nfs/dbraw/zinc/44/39/64/1251443964.db2.gz IDUSOBKYWWVYGY-REEAJDFCSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC1CCC1 ZINC001752902179 1251944038 /nfs/dbraw/zinc/94/40/38/1251944038.db2.gz XFXFVKKFPLTPEY-KXBFYZLASA-N 1 3 341.515 2.874 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732711 1252332519 /nfs/dbraw/zinc/33/25/19/1252332519.db2.gz ZCDGPKGGYZQONU-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732711 1252332522 /nfs/dbraw/zinc/33/25/22/1252332522.db2.gz ZCDGPKGGYZQONU-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732713 1252332572 /nfs/dbraw/zinc/33/25/72/1252332572.db2.gz ZCDGPKGGYZQONU-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732713 1252332576 /nfs/dbraw/zinc/33/25/76/1252332576.db2.gz ZCDGPKGGYZQONU-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC001106910433 1252349764 /nfs/dbraw/zinc/34/97/64/1252349764.db2.gz XQYHDFSVVZRJML-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2CC)C1 ZINC001484352825 1252442575 /nfs/dbraw/zinc/44/25/75/1252442575.db2.gz MULKGPWOICADOG-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001106910863 1252446074 /nfs/dbraw/zinc/44/60/74/1252446074.db2.gz SGRLCFXKSMTUPH-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484358372 1252452293 /nfs/dbraw/zinc/45/22/93/1252452293.db2.gz MPWUESPATMIXSS-ZNXCAKFXSA-N 1 3 349.906 2.941 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484358371 1252452930 /nfs/dbraw/zinc/45/29/30/1252452930.db2.gz MPWUESPATMIXSS-YGDCARBESA-N 1 3 349.906 2.941 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484358370 1252452955 /nfs/dbraw/zinc/45/29/55/1252452955.db2.gz MPWUESPATMIXSS-UKNIUDQOSA-N 1 3 349.906 2.941 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)CC1)N(C)C ZINC001484723556 1252806100 /nfs/dbraw/zinc/80/61/00/1252806100.db2.gz ILFWNNRUVFKYJH-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)CC1)N(C)C ZINC001484723556 1252806110 /nfs/dbraw/zinc/80/61/10/1252806110.db2.gz ILFWNNRUVFKYJH-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003983996 1265688798 /nfs/dbraw/zinc/68/87/98/1265688798.db2.gz XVJQEHLPIPNZNQ-OAHLLOKOSA-N 1 3 345.462 2.563 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CCCCC[NH3+])c(C)c2)CC1 ZINC000325096818 1254473114 /nfs/dbraw/zinc/47/31/14/1254473114.db2.gz SMHLFUPHSNJLHF-UHFFFAOYSA-N 1 3 332.492 2.595 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995801939 1254711321 /nfs/dbraw/zinc/71/13/21/1254711321.db2.gz LSTFCWKYODXQQH-RBUKOAKNSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995873037 1254805662 /nfs/dbraw/zinc/80/56/62/1254805662.db2.gz PNHGSPYNMGMQCL-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)c1 ZINC000995884589 1254833060 /nfs/dbraw/zinc/83/30/60/1254833060.db2.gz GPSQNHZIZTZTAT-GOSISDBHSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)N(C)C ZINC000995922604 1254842835 /nfs/dbraw/zinc/84/28/35/1254842835.db2.gz FXFVQEWHLVYRKP-MSOLQXFVSA-N 1 3 335.536 2.900 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CCC1 ZINC000995921896 1254844336 /nfs/dbraw/zinc/84/43/36/1254844336.db2.gz ZLDBFSYBTNIATA-GOSISDBHSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)CC2(C)C)c1 ZINC000995924627 1254846012 /nfs/dbraw/zinc/84/60/12/1254846012.db2.gz IJLIGULJRKJHPM-MOPGFXCFSA-N 1 3 345.531 2.908 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CC1 ZINC000995907898 1254848936 /nfs/dbraw/zinc/84/89/36/1254848936.db2.gz XMHOIFWUAGPCPR-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995908211 1254852266 /nfs/dbraw/zinc/85/22/66/1254852266.db2.gz XVWSPIDLDGFBQH-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C(C)(C)C1)C1CCC1 ZINC000995916090 1254855031 /nfs/dbraw/zinc/85/50/31/1254855031.db2.gz IJEYXLIHGCMBLJ-KRWDZBQOSA-N 1 3 349.544 2.602 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC000995948368 1254864088 /nfs/dbraw/zinc/86/40/88/1254864088.db2.gz KUVLFLAPONFOFK-RTBURBONSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000995949322 1254867030 /nfs/dbraw/zinc/86/70/30/1254867030.db2.gz MFDXBZYTRLHMRI-MSOLQXFVSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C(C)(C)C1)N(C)C ZINC000995952645 1254876674 /nfs/dbraw/zinc/87/66/74/1254876674.db2.gz RMGRXVUWWCVIAF-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C(C)(C)C1)N(C)C ZINC000995955042 1254883285 /nfs/dbraw/zinc/88/32/85/1254883285.db2.gz ZVNGSZORCXUMMB-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)(C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N1CCCC1 ZINC000996136737 1255059773 /nfs/dbraw/zinc/05/97/73/1255059773.db2.gz PYIFUWMBFHIHAK-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H](NCc2ccccc2F)C(C)(C)C1)[NH+](C)C ZINC000996250351 1255128834 /nfs/dbraw/zinc/12/88/34/1255128834.db2.gz VRFXOAMORCKARP-ZWKOTPCHSA-N 1 3 349.494 2.739 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996299886 1255184709 /nfs/dbraw/zinc/18/47/09/1255184709.db2.gz GGPGNPIWXSPMGN-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000996299987 1255185080 /nfs/dbraw/zinc/18/50/80/1255185080.db2.gz HXMSHQYDNKUQNO-RDJZCZTQSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C(C)(C)C1 ZINC000996302664 1255188134 /nfs/dbraw/zinc/18/81/34/1255188134.db2.gz YOPGEQHVNUOCJN-RDJZCZTQSA-N 1 3 349.544 2.602 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000996310271 1255196050 /nfs/dbraw/zinc/19/60/50/1255196050.db2.gz LPCYLAPQZBQPCX-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996353467 1255240102 /nfs/dbraw/zinc/24/01/02/1255240102.db2.gz AFOHCLHTCAZRHM-MSOLQXFVSA-N 1 3 340.471 2.930 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC000996354945 1255241939 /nfs/dbraw/zinc/24/19/39/1255241939.db2.gz JXXCAZDCCIVWHH-QGZVFWFLSA-N 1 3 332.492 2.749 20 0 EFADHO C[C@@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996356165 1255243121 /nfs/dbraw/zinc/24/31/21/1255243121.db2.gz POXSDLYIEKITBK-PBHICJAKSA-N 1 3 326.444 2.540 20 0 EFADHO CC1CCC(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC1 ZINC000996357627 1255245431 /nfs/dbraw/zinc/24/54/31/1255245431.db2.gz ZUCDDQZDBQXPTA-VMBOVVBDSA-N 1 3 332.492 2.605 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996379769 1255261649 /nfs/dbraw/zinc/26/16/49/1255261649.db2.gz ONQYXNVVPXZBQV-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616755 1255575364 /nfs/dbraw/zinc/57/53/64/1255575364.db2.gz UFTWGRVWSQEYTA-DOTOQJQBSA-N 1 3 349.906 2.618 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616755 1255575369 /nfs/dbraw/zinc/57/53/69/1255575369.db2.gz UFTWGRVWSQEYTA-DOTOQJQBSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1C ZINC000996662166 1255675058 /nfs/dbraw/zinc/67/50/58/1255675058.db2.gz DHOGJGVJRKETCI-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1)C1CCC1 ZINC000996664172 1255675855 /nfs/dbraw/zinc/67/58/55/1255675855.db2.gz GMNCFCVBAMFCFJ-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CC3CC3)C(C)(C)C2)c1 ZINC000996667101 1255684890 /nfs/dbraw/zinc/68/48/90/1255684890.db2.gz VMZOVNAQURKKES-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996667045 1255685158 /nfs/dbraw/zinc/68/51/58/1255685158.db2.gz WCCQBNQXDSLTBO-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1cccc(F)c1 ZINC000996664954 1255700116 /nfs/dbraw/zinc/70/01/16/1255700116.db2.gz NIQNLTPEXDVOAS-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)C[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996665976 1255702741 /nfs/dbraw/zinc/70/27/41/1255702741.db2.gz TZMZVJDISSGCJS-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[NH2+][C@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996669513 1255713435 /nfs/dbraw/zinc/71/34/35/1255713435.db2.gz GKMMKDIVLIZKJY-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c(C)c1 ZINC000996672796 1255721110 /nfs/dbraw/zinc/72/11/10/1255721110.db2.gz PKKOYDXZOZHFHX-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996676766 1255726682 /nfs/dbraw/zinc/72/66/82/1255726682.db2.gz IDCRJNDSERMTJA-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC000996680035 1255733373 /nfs/dbraw/zinc/73/33/73/1255733373.db2.gz SETSHIBEIJHFBM-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996692031 1255753592 /nfs/dbraw/zinc/75/35/92/1255753592.db2.gz LJUVQQBUMLKHCY-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC000996710938 1255803839 /nfs/dbraw/zinc/80/38/39/1255803839.db2.gz HPUWYCJOPRRQOM-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107435971 1255812559 /nfs/dbraw/zinc/81/25/59/1255812559.db2.gz HVVJLPRHNAXMQG-ZHALLVOQSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107435971 1255812566 /nfs/dbraw/zinc/81/25/66/1255812566.db2.gz HVVJLPRHNAXMQG-ZHALLVOQSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC000996711808 1255812601 /nfs/dbraw/zinc/81/26/01/1255812601.db2.gz LEFVWKFFTQBORS-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)C1CC1 ZINC001107438540 1255820519 /nfs/dbraw/zinc/82/05/19/1255820519.db2.gz DRNWIVOZYNLAGU-SFHLNBCPSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)C1CC1 ZINC001107438540 1255820525 /nfs/dbraw/zinc/82/05/25/1255820525.db2.gz DRNWIVOZYNLAGU-SFHLNBCPSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2)C1CCC1 ZINC001107438635 1255820956 /nfs/dbraw/zinc/82/09/56/1255820956.db2.gz FPHNSFGKKZKNQQ-HKFPUOSXSA-N 1 3 339.911 2.584 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2)C1CCC1 ZINC001107438635 1255820970 /nfs/dbraw/zinc/82/09/70/1255820970.db2.gz FPHNSFGKKZKNQQ-HKFPUOSXSA-N 1 3 339.911 2.584 20 0 EFADHO CCc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC000996714020 1255826850 /nfs/dbraw/zinc/82/68/50/1255826850.db2.gz ZSTPJQJMTRYTFP-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C)sc2C)CC1)N(C)C ZINC000996721561 1255881305 /nfs/dbraw/zinc/88/13/05/1255881305.db2.gz YXVSOZZFEBGQNM-QGZVFWFLSA-N 1 3 337.533 2.786 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673584 1266016946 /nfs/dbraw/zinc/01/69/46/1266016946.db2.gz CJRKAHKLBUWHAJ-IRXDYDNUSA-N 1 3 341.515 2.922 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)C(C)C ZINC001107582076 1256178877 /nfs/dbraw/zinc/17/88/77/1256178877.db2.gz VNOHIRGQNNWOTK-ZIFCJYIRSA-N 1 3 341.515 2.683 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107620913 1256318880 /nfs/dbraw/zinc/31/88/80/1256318880.db2.gz FEKAESOXEKWKRV-UYAOXDASSA-N 1 3 344.503 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107620913 1256318883 /nfs/dbraw/zinc/31/88/83/1256318883.db2.gz FEKAESOXEKWKRV-UYAOXDASSA-N 1 3 344.503 2.812 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621553 1256319341 /nfs/dbraw/zinc/31/93/41/1256319341.db2.gz QTSCESFBUKWFKC-DYIICSRESA-N 1 3 344.503 2.978 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621553 1256319343 /nfs/dbraw/zinc/31/93/43/1256319343.db2.gz QTSCESFBUKWFKC-DYIICSRESA-N 1 3 344.503 2.978 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107646113 1256370824 /nfs/dbraw/zinc/37/08/24/1256370824.db2.gz CODBRXXNUJPWIO-UYAOXDASSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107646113 1256370831 /nfs/dbraw/zinc/37/08/31/1256370831.db2.gz CODBRXXNUJPWIO-UYAOXDASSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996980427 1256604299 /nfs/dbraw/zinc/60/42/99/1256604299.db2.gz YBLPTTVYXNRYPC-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996993207 1256636166 /nfs/dbraw/zinc/63/61/66/1256636166.db2.gz BSDXHTGCSZWAPS-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000997002518 1256659754 /nfs/dbraw/zinc/65/97/54/1256659754.db2.gz WUGNIJUBNYLRAT-QGZVFWFLSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1F ZINC000997002387 1256660594 /nfs/dbraw/zinc/66/05/94/1256660594.db2.gz VRVHYYODNZOZFH-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC000997007980 1256672176 /nfs/dbraw/zinc/67/21/76/1256672176.db2.gz SNZBSRKADRAGNW-ADKAHSJRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC000997008546 1256674399 /nfs/dbraw/zinc/67/43/99/1256674399.db2.gz VITDCZFUMOOAOK-KRWDZBQOSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1F ZINC000997008570 1256675135 /nfs/dbraw/zinc/67/51/35/1256675135.db2.gz VPNJXQJDZSEEER-HNNXBMFYSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000997003404 1256676457 /nfs/dbraw/zinc/67/64/57/1256676457.db2.gz BHABTVNPYFQFTF-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000997039334 1256725476 /nfs/dbraw/zinc/72/54/76/1256725476.db2.gz BWCIGBFZDQLMHM-SFHVURJKSA-N 1 3 344.434 2.823 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000997042259 1256729871 /nfs/dbraw/zinc/72/98/71/1256729871.db2.gz OLLWDGQVQHMESI-LJQANCHMSA-N 1 3 338.455 2.610 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150373 1266076571 /nfs/dbraw/zinc/07/65/71/1266076571.db2.gz RTERSZQZKQSJOR-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150373 1266076581 /nfs/dbraw/zinc/07/65/81/1266076581.db2.gz RTERSZQZKQSJOR-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCCCC1 ZINC001032404196 1257114869 /nfs/dbraw/zinc/11/48/69/1257114869.db2.gz AXVZANZZAJPYTM-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCCCC1 ZINC001032404196 1257114872 /nfs/dbraw/zinc/11/48/72/1257114872.db2.gz AXVZANZZAJPYTM-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404196 1257114877 /nfs/dbraw/zinc/11/48/77/1257114877.db2.gz AXVZANZZAJPYTM-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905284 1257285063 /nfs/dbraw/zinc/28/50/63/1257285063.db2.gz ONNGDPUHRBIVDC-HAGHYFMRSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905284 1257285067 /nfs/dbraw/zinc/28/50/67/1257285067.db2.gz ONNGDPUHRBIVDC-HAGHYFMRSA-N 1 3 341.499 2.551 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1 ZINC000997332142 1257379411 /nfs/dbraw/zinc/37/94/11/1257379411.db2.gz DYZMRSBJPBAGBO-SJLPKXTDSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306578 1257385515 /nfs/dbraw/zinc/38/55/15/1257385515.db2.gz FMWHSAOSCIHYDQ-QGZVFWFLSA-N 1 3 329.488 2.732 20 0 EFADHO CCCc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000997307085 1257385738 /nfs/dbraw/zinc/38/57/38/1257385738.db2.gz NYQLRHGJYKWUDV-UHFFFAOYSA-N 1 3 343.515 2.816 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000997306289 1257386006 /nfs/dbraw/zinc/38/60/06/1257386006.db2.gz BKMJILKSYBKZIT-ZWKOTPCHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000997306297 1257386092 /nfs/dbraw/zinc/38/60/92/1257386092.db2.gz BRKZHGFLLGUILG-QGZVFWFLSA-N 1 3 329.488 2.732 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000997307828 1257386238 /nfs/dbraw/zinc/38/62/38/1257386238.db2.gz WYLGMQDCSDHPCW-FQEVSTJZSA-N 1 3 341.499 2.740 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000997366917 1257456519 /nfs/dbraw/zinc/45/65/19/1257456519.db2.gz PTDIXWHMXMLLOI-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000997367256 1257457422 /nfs/dbraw/zinc/45/74/22/1257457422.db2.gz ZARQHNVUYATUEF-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032442956 1257492188 /nfs/dbraw/zinc/49/21/88/1257492188.db2.gz JXMVGXZHTHVDGQ-QYZOEREBSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032442956 1257492191 /nfs/dbraw/zinc/49/21/91/1257492191.db2.gz JXMVGXZHTHVDGQ-QYZOEREBSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCCF)CC1 ZINC000997432162 1257578536 /nfs/dbraw/zinc/57/85/36/1257578536.db2.gz TZQDTFMUQJMKOI-MRXNPFEDSA-N 1 3 349.494 2.938 20 0 EFADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2CN(C)C)C1 ZINC001089910689 1257626456 /nfs/dbraw/zinc/62/64/56/1257626456.db2.gz UPRQQGOKNAIERX-LEAZDLGRSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccccc2CN(C)C)C1 ZINC001089910689 1257626461 /nfs/dbraw/zinc/62/64/61/1257626461.db2.gz UPRQQGOKNAIERX-LEAZDLGRSA-N 1 3 341.499 2.551 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032492994 1257855911 /nfs/dbraw/zinc/85/59/11/1257855911.db2.gz HCVIPQGVBNIQTE-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032492994 1257855923 /nfs/dbraw/zinc/85/59/23/1257855923.db2.gz HCVIPQGVBNIQTE-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032493541 1257867236 /nfs/dbraw/zinc/86/72/36/1257867236.db2.gz YHEANPXHGBIVRG-BZSNNMDCSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032493541 1257867248 /nfs/dbraw/zinc/86/72/48/1257867248.db2.gz YHEANPXHGBIVRG-BZSNNMDCSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccsc2)CC1 ZINC000997596893 1258084051 /nfs/dbraw/zinc/08/40/51/1258084051.db2.gz QLRKMUDNIUIPOT-HDMKZQKVSA-N 1 3 349.544 2.805 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccsc2)CC1 ZINC000997596893 1258084059 /nfs/dbraw/zinc/08/40/59/1258084059.db2.gz QLRKMUDNIUIPOT-HDMKZQKVSA-N 1 3 349.544 2.805 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997608249 1258106163 /nfs/dbraw/zinc/10/61/63/1258106163.db2.gz SSOWTSXDUIUJRR-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997613823 1258115650 /nfs/dbraw/zinc/11/56/50/1258115650.db2.gz QCOLDSQFJGXWDN-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997613568 1258116109 /nfs/dbraw/zinc/11/61/09/1258116109.db2.gz KMMZXOKWUYBDSX-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001168596468 1258388945 /nfs/dbraw/zinc/38/89/45/1258388945.db2.gz WYNJSMJORPWGAN-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997786902 1258410435 /nfs/dbraw/zinc/41/04/35/1258410435.db2.gz RSSPBMJTMIRQTL-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO CC1CCC(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001032557914 1258483247 /nfs/dbraw/zinc/48/32/47/1258483247.db2.gz WVDSFDRTYJTQLI-BTRQGYIVSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cs1 ZINC000997829840 1258504670 /nfs/dbraw/zinc/50/46/70/1258504670.db2.gz DCAHUPRJCFJKAZ-SFHVURJKSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000997831509 1258505249 /nfs/dbraw/zinc/50/52/49/1258505249.db2.gz UMGHVDJJLFDEAH-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC000997831140 1258508673 /nfs/dbraw/zinc/50/86/73/1258508673.db2.gz RSJXTMYPHBNQSL-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000997841389 1258517102 /nfs/dbraw/zinc/51/71/02/1258517102.db2.gz ZXAHMYPFWIVCDE-FQEVSTJZSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC000997856295 1258530390 /nfs/dbraw/zinc/53/03/90/1258530390.db2.gz SVIQZLLKGUTEOS-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CC2CC2)CC1 ZINC000997872524 1258557138 /nfs/dbraw/zinc/55/71/38/1258557138.db2.gz ZAHJFQJFNXUDJC-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C)ns1 ZINC001168606581 1258577891 /nfs/dbraw/zinc/57/78/91/1258577891.db2.gz IIRNIKRZFHGIOO-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032581222 1258762121 /nfs/dbraw/zinc/76/21/21/1258762121.db2.gz NHIFZBMYMLGZNK-FHWLQOOXSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032581222 1258762126 /nfs/dbraw/zinc/76/21/26/1258762126.db2.gz NHIFZBMYMLGZNK-FHWLQOOXSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001004203233 1266214071 /nfs/dbraw/zinc/21/40/71/1266214071.db2.gz JSQCQBYKAQTURM-CALCHBBNSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004204025 1266214855 /nfs/dbraw/zinc/21/48/55/1266214855.db2.gz OAEYAKMCYCOXSI-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001032586743 1258860045 /nfs/dbraw/zinc/86/00/45/1258860045.db2.gz BYYNSNJHTBENJG-WNHJNPCNSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001032586743 1258860056 /nfs/dbraw/zinc/86/00/56/1258860056.db2.gz BYYNSNJHTBENJG-WNHJNPCNSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@@H+]1C ZINC001032586710 1258860338 /nfs/dbraw/zinc/86/03/38/1258860338.db2.gz AOIRRORSTPMCBX-LEAZDLGRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@H+]1C ZINC001032586710 1258860344 /nfs/dbraw/zinc/86/03/44/1258860344.db2.gz AOIRRORSTPMCBX-LEAZDLGRSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000998013189 1258954938 /nfs/dbraw/zinc/95/49/38/1258954938.db2.gz PZMNKGWOLGBXHO-WDCWKCJDSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000998013189 1258954942 /nfs/dbraw/zinc/95/49/42/1258954942.db2.gz PZMNKGWOLGBXHO-WDCWKCJDSA-N 1 3 341.927 2.782 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000998081198 1259078727 /nfs/dbraw/zinc/07/87/27/1259078727.db2.gz GSMLAHOKZVEWLQ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000998081622 1259081062 /nfs/dbraw/zinc/08/10/62/1259081062.db2.gz KUGHPCBCKKMEQB-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC000998083701 1259086683 /nfs/dbraw/zinc/08/66/83/1259086683.db2.gz XMOOPQVUYSWOMC-ZWKOTPCHSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000998086209 1259090859 /nfs/dbraw/zinc/09/08/59/1259090859.db2.gz NTKZKGWKKQEICS-SFHVURJKSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000998092773 1259100763 /nfs/dbraw/zinc/10/07/63/1259100763.db2.gz FZGKEWAEIFVAQA-JSNVTFDYSA-N 1 3 341.927 2.784 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998114986 1259127460 /nfs/dbraw/zinc/12/74/60/1259127460.db2.gz KTLRYEUQDSIWES-UHFFFAOYSA-N 1 3 340.471 2.543 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccccc3)CC2)CC1 ZINC000998175611 1259194196 /nfs/dbraw/zinc/19/41/96/1259194196.db2.gz NIPLJPPVRGHQHY-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000998175570 1259194749 /nfs/dbraw/zinc/19/47/49/1259194749.db2.gz LMBIKNYPNGPWSC-UHFFFAOYSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c(C)s1 ZINC000998267984 1259342594 /nfs/dbraw/zinc/34/25/94/1259342594.db2.gz BWWHOYXLYFWPIZ-UHFFFAOYSA-N 1 3 349.544 2.789 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998267921 1259342723 /nfs/dbraw/zinc/34/27/23/1259342723.db2.gz AEOXYAGVHBQWOH-GOSISDBHSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998267966 1259342736 /nfs/dbraw/zinc/34/27/36/1259342736.db2.gz BLOKCNNHGFLLKE-SFHVURJKSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000998268577 1259348672 /nfs/dbraw/zinc/34/86/72/1259348672.db2.gz HQTILNOEIUFNAV-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000998270597 1259351068 /nfs/dbraw/zinc/35/10/68/1259351068.db2.gz VTNDUBHYHRZUEK-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032627190 1259426569 /nfs/dbraw/zinc/42/65/69/1259426569.db2.gz RFQWEODPHILNBG-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032627190 1259426572 /nfs/dbraw/zinc/42/65/72/1259426572.db2.gz RFQWEODPHILNBG-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032628325 1259435004 /nfs/dbraw/zinc/43/50/04/1259435004.db2.gz WBPLZEFXFZWEKP-WDSOQIARSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032628325 1259435012 /nfs/dbraw/zinc/43/50/12/1259435012.db2.gz WBPLZEFXFZWEKP-WDSOQIARSA-N 1 3 345.531 2.584 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c(Cl)c1 ZINC000998547841 1259671035 /nfs/dbraw/zinc/67/10/35/1259671035.db2.gz BAGRVWNAYLHRNK-HTWSVDAQSA-N 1 3 349.906 2.822 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000998548265 1259675009 /nfs/dbraw/zinc/67/50/09/1259675009.db2.gz FOYZQTUUBXJRGR-JCYILVPMSA-N 1 3 335.879 2.513 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000998548267 1259675772 /nfs/dbraw/zinc/67/57/72/1259675772.db2.gz FOYZQTUUBXJRGR-OFLPRAFFSA-N 1 3 335.879 2.513 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036556042 1259676214 /nfs/dbraw/zinc/67/62/14/1259676214.db2.gz FAJABBQCOBGRQA-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000998550807 1259677289 /nfs/dbraw/zinc/67/72/89/1259677289.db2.gz PKPDVMOFXFKBQR-DQPZFDDXSA-N 1 3 335.879 2.513 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000998550810 1259677317 /nfs/dbraw/zinc/67/73/17/1259677317.db2.gz PKPDVMOFXFKBQR-VMBOVVBDSA-N 1 3 335.879 2.513 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998552934 1259678656 /nfs/dbraw/zinc/67/86/56/1259678656.db2.gz URTSMCZVKOKOOX-AFMYVXGZSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000998791152 1259948078 /nfs/dbraw/zinc/94/80/78/1259948078.db2.gz ISGPQBQBSITQDV-AGERRDQYSA-N 1 3 347.478 2.553 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000998791152 1259948086 /nfs/dbraw/zinc/94/80/86/1259948086.db2.gz ISGPQBQBSITQDV-AGERRDQYSA-N 1 3 347.478 2.553 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCCCC1 ZINC001032665002 1260359298 /nfs/dbraw/zinc/35/92/98/1260359298.db2.gz VIIVFWWZBMCZKM-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001032664700 1260360175 /nfs/dbraw/zinc/36/01/75/1260360175.db2.gz OHQWFJJEJDBBRS-NEWSRXKRSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999350659 1260553306 /nfs/dbraw/zinc/55/33/06/1260553306.db2.gz ZZMBKONXOPAOGZ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000999351599 1260555164 /nfs/dbraw/zinc/55/51/64/1260555164.db2.gz DYXUSRJEMGQCRF-AEFFLSMTSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000999372956 1260555820 /nfs/dbraw/zinc/55/58/20/1260555820.db2.gz PTEDFDISAHDTNV-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000999352710 1260556349 /nfs/dbraw/zinc/55/63/49/1260556349.db2.gz KMZFGLNUJSWYET-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000999352685 1260556400 /nfs/dbraw/zinc/55/64/00/1260556400.db2.gz KMZFGLNUJSWYET-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000999380945 1260562109 /nfs/dbraw/zinc/56/21/09/1260562109.db2.gz YELOXFUUWKKWCN-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000999380946 1260562773 /nfs/dbraw/zinc/56/27/73/1260562773.db2.gz YELOXFUUWKKWCN-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000999379457 1260563086 /nfs/dbraw/zinc/56/30/86/1260563086.db2.gz YSNAPYYOBNZSET-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999363689 1260564994 /nfs/dbraw/zinc/56/49/94/1260564994.db2.gz JHSVPPJUNLKKMU-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000999365657 1260567735 /nfs/dbraw/zinc/56/77/35/1260567735.db2.gz QRTDXILDVAVGMI-KRWDZBQOSA-N 1 3 349.544 2.930 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999366191 1260568121 /nfs/dbraw/zinc/56/81/21/1260568121.db2.gz VSFJXFZSPOUGAX-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC000999365671 1260568252 /nfs/dbraw/zinc/56/82/52/1260568252.db2.gz RBPDACPHSOLHJM-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000999366665 1260569863 /nfs/dbraw/zinc/56/98/63/1260569863.db2.gz YWIAYCGPJDEOFI-FUHWJXTLSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000999371059 1260571746 /nfs/dbraw/zinc/57/17/46/1260571746.db2.gz MRXOSUBCRJLXLZ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1)C1CC1 ZINC000999372001 1260571963 /nfs/dbraw/zinc/57/19/63/1260571963.db2.gz NUQAOXYOFGUSPM-SJLPKXTDSA-N 1 3 349.906 2.761 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999398694 1260576942 /nfs/dbraw/zinc/57/69/42/1260576942.db2.gz AAXNKAOAFZYQGD-DZIBYMRMSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999403504 1260598164 /nfs/dbraw/zinc/59/81/64/1260598164.db2.gz QFNBOPBWMAJUIX-FTXHTYHOSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000999404749 1260598731 /nfs/dbraw/zinc/59/87/31/1260598731.db2.gz ZYXAODGTQHVGAG-DZIBYMRMSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000999404648 1260598754 /nfs/dbraw/zinc/59/87/54/1260598754.db2.gz XADYFCNWBCACKO-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000999406105 1260600782 /nfs/dbraw/zinc/60/07/82/1260600782.db2.gz KFEJREHNFIJXLW-QHGAOEGBSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000999407833 1260601766 /nfs/dbraw/zinc/60/17/66/1260601766.db2.gz HCTZXTHNYVOZQF-NNGSBXSVSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000999409027 1260603969 /nfs/dbraw/zinc/60/39/69/1260603969.db2.gz OCKGKRIPAFSYBG-NNGSBXSVSA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000999423609 1260612505 /nfs/dbraw/zinc/61/25/05/1260612505.db2.gz OOPTVTWTKIOUTG-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC000999481164 1260678382 /nfs/dbraw/zinc/67/83/82/1260678382.db2.gz CHVRNWBAZZGKDJ-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000999488465 1260710895 /nfs/dbraw/zinc/71/08/95/1260710895.db2.gz FMWJPUXTVJJHGD-VQTJNVASSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000999489255 1260712066 /nfs/dbraw/zinc/71/20/66/1260712066.db2.gz JMGCGPFPOLEHJD-WOJBJXKFSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC000999490456 1260712888 /nfs/dbraw/zinc/71/28/88/1260712888.db2.gz PYLUOSRWFUQOHV-ZWKOTPCHSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC000999490026 1260713286 /nfs/dbraw/zinc/71/32/86/1260713286.db2.gz NMKIWIRWVXJUBN-SJLPKXTDSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000999494891 1260716176 /nfs/dbraw/zinc/71/61/76/1260716176.db2.gz IWGKJGKJYDNLOJ-ZWKOTPCHSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001033068885 1266358796 /nfs/dbraw/zinc/35/87/96/1266358796.db2.gz FRUBJPNLYVIEKC-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001033068885 1266358809 /nfs/dbraw/zinc/35/88/09/1266358809.db2.gz FRUBJPNLYVIEKC-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000999832243 1260944745 /nfs/dbraw/zinc/94/47/45/1260944745.db2.gz AYQWOEJLTYMMHF-UHFFFAOYSA-N 1 3 335.879 2.515 20 0 EFADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000999832320 1260945040 /nfs/dbraw/zinc/94/50/40/1260945040.db2.gz DYEFYTHOJXCEJH-ACBHZAAOSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000999833705 1260946113 /nfs/dbraw/zinc/94/61/13/1260946113.db2.gz BVMWQXACQHWXEH-QLOJAFMTSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1F ZINC000999833079 1260946342 /nfs/dbraw/zinc/94/63/42/1260946342.db2.gz LGYHHAJQRDTITG-QQFBHYJXSA-N 1 3 333.451 2.562 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC000999875788 1260963614 /nfs/dbraw/zinc/96/36/14/1260963614.db2.gz ATJAHCUQAHINEQ-SOAGJPPSSA-N 1 3 343.515 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC000999876585 1260965389 /nfs/dbraw/zinc/96/53/89/1260965389.db2.gz OQAATNQIRNQZGN-HTWSVDAQSA-N 1 3 349.544 2.744 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(C3CCCC3)C2=O)CC1 ZINC001272870480 1261196691 /nfs/dbraw/zinc/19/66/91/1261196691.db2.gz PWBHIBKHAOJGBX-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033069868 1266392078 /nfs/dbraw/zinc/39/20/78/1266392078.db2.gz MILGWPUBHAKWAL-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033069868 1266392085 /nfs/dbraw/zinc/39/20/85/1266392085.db2.gz MILGWPUBHAKWAL-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1cc(Cl)ccc1Cl ZINC000923296524 1261421332 /nfs/dbraw/zinc/42/13/32/1261421332.db2.gz USXBUVZZJWNSNM-WFASDCNBSA-N 1 3 335.275 2.696 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000923330380 1261467640 /nfs/dbraw/zinc/46/76/40/1261467640.db2.gz DHBQBAKFMOTOJO-VDGAXYAQSA-N 1 3 340.467 2.762 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033073389 1266411662 /nfs/dbraw/zinc/41/16/62/1266411662.db2.gz PVZFMENHLKRFIW-RBUKOAKNSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033073389 1266411669 /nfs/dbraw/zinc/41/16/69/1266411669.db2.gz PVZFMENHLKRFIW-RBUKOAKNSA-N 1 3 329.488 2.592 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923348381 1261514564 /nfs/dbraw/zinc/51/45/64/1261514564.db2.gz FJKKPIGEINEKCE-SWLSCSKDSA-N 1 3 327.266 2.543 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC001168762660 1261540066 /nfs/dbraw/zinc/54/00/66/1261540066.db2.gz FUXUDJGBBUKOPZ-UHFFFAOYSA-N 1 3 349.519 2.659 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000923354726 1261549622 /nfs/dbraw/zinc/54/96/22/1261549622.db2.gz VPRUSWPZSYLDPM-CABCVRRESA-N 1 3 330.394 2.812 20 0 EFADHO O[C@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923355999 1261552811 /nfs/dbraw/zinc/55/28/11/1261552811.db2.gz CZTODPHHCMQRDK-CXAGYDPISA-N 1 3 326.843 2.834 20 0 EFADHO O[C@@H](CN1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923356000 1261553067 /nfs/dbraw/zinc/55/30/67/1261553067.db2.gz CZTODPHHCMQRDK-DYVFJYSZSA-N 1 3 326.843 2.834 20 0 EFADHO CCc1ncc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)o1 ZINC000923396761 1261604704 /nfs/dbraw/zinc/60/47/04/1261604704.db2.gz HKYJGMODJXYAPQ-UHFFFAOYSA-N 1 3 343.475 2.807 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001006083578 1261663953 /nfs/dbraw/zinc/66/39/53/1261663953.db2.gz JIDUMMROODETOR-FUHWJXTLSA-N 1 3 341.515 2.920 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001006083580 1261664368 /nfs/dbraw/zinc/66/43/68/1261664368.db2.gz JIDUMMROODETOR-WMZOPIPTSA-N 1 3 341.515 2.920 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006084568 1261667037 /nfs/dbraw/zinc/66/70/37/1261667037.db2.gz QRWLINOOXSYUFD-LJQANCHMSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968708 1261671632 /nfs/dbraw/zinc/67/16/32/1261671632.db2.gz ZRWLPTHQHNTXNT-YCPHGPKFSA-N 1 3 337.895 2.522 20 0 EFADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(Cc2ccsc2)CC1 ZINC001006091218 1261703497 /nfs/dbraw/zinc/70/34/97/1261703497.db2.gz LERIMMYCNVYWTK-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CC[C@@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000923486674 1261743009 /nfs/dbraw/zinc/74/30/09/1261743009.db2.gz SLFKLBOLFWPVOU-SOUVJXGZSA-N 1 3 329.444 2.669 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923487789 1261745405 /nfs/dbraw/zinc/74/54/05/1261745405.db2.gz HLQMNBOPWGDJQD-JKSUJKDBSA-N 1 3 325.456 2.688 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000923487496 1261745582 /nfs/dbraw/zinc/74/55/82/1261745582.db2.gz DPBKSPMPZSFREZ-NWDGAFQWSA-N 1 3 344.286 2.841 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799764 1261755114 /nfs/dbraw/zinc/75/51/14/1261755114.db2.gz LAUOCXPMBOMMNF-MNEFBYGVSA-N 1 3 329.488 2.693 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799764 1261755116 /nfs/dbraw/zinc/75/51/16/1261755116.db2.gz LAUOCXPMBOMMNF-MNEFBYGVSA-N 1 3 329.488 2.693 20 0 EFADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923485095 1261757651 /nfs/dbraw/zinc/75/76/51/1261757651.db2.gz FKYOIHHNFAQXAS-GJZGRUSLSA-N 1 3 329.444 2.623 20 0 EFADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923489159 1261766782 /nfs/dbraw/zinc/76/67/82/1261766782.db2.gz CJUDUHACLSQTFA-SJORKVTESA-N 1 3 344.503 2.675 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@H](CC[NH3+])C1 ZINC000923491325 1261773507 /nfs/dbraw/zinc/77/35/07/1261773507.db2.gz HWFQLOMYAAEGHS-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO CCN(C(=O)CN1CC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923492807 1261776466 /nfs/dbraw/zinc/77/64/66/1261776466.db2.gz OWPDTFNPBLVGJM-MRXNPFEDSA-N 1 3 325.456 2.863 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001001006538 1261777704 /nfs/dbraw/zinc/77/77/04/1261777704.db2.gz IJVNXPKEBQQYMF-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498919 1261794128 /nfs/dbraw/zinc/79/41/28/1261794128.db2.gz QWLSYYRQUKJLPN-BRWVUGGUSA-N 1 3 344.503 2.531 20 0 EFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1c(Cl)cccc1Cl ZINC000923517805 1261823185 /nfs/dbraw/zinc/82/31/85/1261823185.db2.gz AIJSSBFGRKCLHP-NWDGAFQWSA-N 1 3 342.270 2.863 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001032804134 1261824334 /nfs/dbraw/zinc/82/43/34/1261824334.db2.gz XZCYUJRSOYDITR-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)[C@@H](C)C1 ZINC000947979444 1261837304 /nfs/dbraw/zinc/83/73/04/1261837304.db2.gz GVHRKGVGTXRPCM-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)[C@@H](C)C1 ZINC000947979444 1261837311 /nfs/dbraw/zinc/83/73/11/1261837311.db2.gz GVHRKGVGTXRPCM-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCCC1 ZINC001032803464 1261845052 /nfs/dbraw/zinc/84/50/52/1261845052.db2.gz ATUQOQYQTIPZBO-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1)[NH+]1CCCCC1 ZINC001032803463 1261845631 /nfs/dbraw/zinc/84/56/31/1261845631.db2.gz ATUQOQYQTIPZBO-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3CCC[NH3+])n1 ZINC000923528383 1261848778 /nfs/dbraw/zinc/84/87/78/1261848778.db2.gz VGRCYFFJQPGDOW-UUVAVEHKSA-N 1 3 337.533 2.690 20 0 EFADHO CC(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078627447 1262075612 /nfs/dbraw/zinc/07/56/12/1262075612.db2.gz YWHUGHKEXQTQTF-IAGOWNOFSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)N1CCCCC1 ZINC001078627326 1262076237 /nfs/dbraw/zinc/07/62/37/1262076237.db2.gz YHGCWZBAUPULSG-SJORKVTESA-N 1 3 333.520 2.678 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)c(F)c1 ZINC001001536021 1262326806 /nfs/dbraw/zinc/32/68/06/1262326806.db2.gz DQVMIGVFVDSMAY-SFHVURJKSA-N 1 3 335.467 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001078796147 1262328699 /nfs/dbraw/zinc/32/86/99/1262328699.db2.gz WWPMBAGMAYYNJN-ZWKOTPCHSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001078796139 1262328854 /nfs/dbraw/zinc/32/88/54/1262328854.db2.gz WWPMBAGMAYYNJN-MSOLQXFVSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001078796378 1262330027 /nfs/dbraw/zinc/33/00/27/1262330027.db2.gz ZGOZUIUPZBQJDV-ZWKOTPCHSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001272933981 1262358814 /nfs/dbraw/zinc/35/88/14/1262358814.db2.gz LBGQMJHENYKREI-LJQANCHMSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001272933981 1262358819 /nfs/dbraw/zinc/35/88/19/1262358819.db2.gz LBGQMJHENYKREI-LJQANCHMSA-N 1 3 349.544 2.823 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC3CC3)C23CCC3)c1 ZINC001078819216 1262362140 /nfs/dbraw/zinc/36/21/40/1262362140.db2.gz KCEPPJNSHWRCPG-RTBURBONSA-N 1 3 341.499 2.789 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001485881281 1262463961 /nfs/dbraw/zinc/46/39/61/1262463961.db2.gz DZVQCFDTIIEDNV-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001486092831 1262615932 /nfs/dbraw/zinc/61/59/32/1262615932.db2.gz RKIOXNANAPFCRV-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001486210928 1262806798 /nfs/dbraw/zinc/80/67/98/1262806798.db2.gz RJUVKOWOOMBFJR-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001486220193 1262823176 /nfs/dbraw/zinc/82/31/76/1262823176.db2.gz YEDIZTHJZBFBIG-FUHWJXTLSA-N 1 3 335.467 2.542 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001486466284 1263181141 /nfs/dbraw/zinc/18/11/41/1263181141.db2.gz IEAGZIQZSNNHEH-UHFFFAOYSA-N 1 3 343.515 2.812 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082507357 1263202294 /nfs/dbraw/zinc/20/22/94/1263202294.db2.gz NNSAMJUKYOINQJ-KBAYOESNSA-N 1 3 349.544 2.600 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559948 1263222241 /nfs/dbraw/zinc/22/22/41/1263222241.db2.gz UHCKBCSQPDUNON-AHRSYUTCSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001082562168 1263223885 /nfs/dbraw/zinc/22/38/85/1263223885.db2.gz TXQUSMGAJQTZAM-FUHIMQAGSA-N 1 3 343.515 2.977 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccccc1F ZINC001082570736 1263225349 /nfs/dbraw/zinc/22/53/49/1263225349.db2.gz WVOOCDAXIXEYAQ-SZVBFZGTSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCc1ccccc1F ZINC001082570736 1263225357 /nfs/dbraw/zinc/22/53/57/1263225357.db2.gz WVOOCDAXIXEYAQ-SZVBFZGTSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001082575274 1263229114 /nfs/dbraw/zinc/22/91/14/1263229114.db2.gz VLDZMGQAIJXCAJ-QRQLOZEOSA-N 1 3 335.536 2.900 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001082748416 1263295494 /nfs/dbraw/zinc/29/54/94/1263295494.db2.gz KPIHVOLPGGCUCD-QRQLOZEOSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1F ZINC001082740979 1263313398 /nfs/dbraw/zinc/31/33/98/1263313398.db2.gz MEMCUXFHJXFBFZ-JTDSTZFVSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001082742547 1263313747 /nfs/dbraw/zinc/31/37/47/1263313747.db2.gz JMJPJFMWCPYYFO-HDMKZQKVSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1C ZINC001082742842 1263317037 /nfs/dbraw/zinc/31/70/37/1263317037.db2.gz UFHNHAPKVWNMEE-XFQXTVEOSA-N 1 3 343.515 2.582 20 0 EFADHO C[NH+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1Cl ZINC001165781751 1263422410 /nfs/dbraw/zinc/42/24/10/1263422410.db2.gz YYFGPLBWBAKPOX-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082943591 1263425071 /nfs/dbraw/zinc/42/50/71/1263425071.db2.gz QOLVSWWYMVXBDG-QRQLOZEOSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(CNCc2ccnc(OCC[NH+](C)C)c2)c(C)c1 ZINC000921941861 1263648843 /nfs/dbraw/zinc/64/88/43/1263648843.db2.gz LDQPMHCOUNHIRM-UHFFFAOYSA-N 1 3 329.444 2.629 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344758 1263839672 /nfs/dbraw/zinc/83/96/72/1263839672.db2.gz FOCHKVYDBJYXMK-GVDBMIGSSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344758 1263839680 /nfs/dbraw/zinc/83/96/80/1263839680.db2.gz FOCHKVYDBJYXMK-GVDBMIGSSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084345966 1263840820 /nfs/dbraw/zinc/84/08/20/1263840820.db2.gz VYGCOCCWZFCCIM-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084345966 1263840831 /nfs/dbraw/zinc/84/08/31/1263840831.db2.gz VYGCOCCWZFCCIM-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001002791410 1264080322 /nfs/dbraw/zinc/08/03/22/1264080322.db2.gz IAPBMZUUTAFBTK-LJQANCHMSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001002815728 1264122249 /nfs/dbraw/zinc/12/22/49/1264122249.db2.gz QYOOQATZGIXUKT-HNNXBMFYSA-N 1 3 327.488 2.580 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002851311 1264179156 /nfs/dbraw/zinc/17/91/56/1264179156.db2.gz GSEMRRUBWUSGHO-DNVCBOLYSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002851311 1264179159 /nfs/dbraw/zinc/17/91/59/1264179159.db2.gz GSEMRRUBWUSGHO-DNVCBOLYSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002859655 1264193286 /nfs/dbraw/zinc/19/32/86/1264193286.db2.gz BZFRRBROCYYXJH-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002859655 1264193289 /nfs/dbraw/zinc/19/32/89/1264193289.db2.gz BZFRRBROCYYXJH-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001002956654 1264357310 /nfs/dbraw/zinc/35/73/10/1264357310.db2.gz ZKOZMHBLYDQPCO-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850086 1264536939 /nfs/dbraw/zinc/53/69/39/1264536939.db2.gz JIZPWHKYIQGACE-WOJBJXKFSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850086 1264536942 /nfs/dbraw/zinc/53/69/42/1264536942.db2.gz JIZPWHKYIQGACE-WOJBJXKFSA-N 1 3 343.515 2.941 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001003424627 1264745939 /nfs/dbraw/zinc/74/59/39/1264745939.db2.gz VYGZXLUUOIDEGS-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001410317632 1264773201 /nfs/dbraw/zinc/77/32/01/1264773201.db2.gz YLKHTPSMIXMOKG-RDTXWAMCSA-N 1 3 326.444 2.540 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001410317872 1264774859 /nfs/dbraw/zinc/77/48/59/1264774859.db2.gz CDZPIYMANCABSQ-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084998168 1264875206 /nfs/dbraw/zinc/87/52/06/1264875206.db2.gz YBNMLUUIZRHYHN-HOJAQTOUSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084998168 1264875219 /nfs/dbraw/zinc/87/52/19/1264875219.db2.gz YBNMLUUIZRHYHN-HOJAQTOUSA-N 1 3 345.531 2.584 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001003624369 1264982530 /nfs/dbraw/zinc/98/25/30/1264982530.db2.gz OUFMMFFGROKFIK-SFHVURJKSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001003624368 1264982630 /nfs/dbraw/zinc/98/26/30/1264982630.db2.gz OUFMMFFGROKFIK-GOSISDBHSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001003626072 1264986475 /nfs/dbraw/zinc/98/64/75/1264986475.db2.gz KZBBOCWWIXZUDT-ADKAHSJRSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032800 1264986706 /nfs/dbraw/zinc/98/67/06/1264986706.db2.gz AUFAMMFXXTXAPR-JTDSTZFVSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032800 1264986713 /nfs/dbraw/zinc/98/67/13/1264986713.db2.gz AUFAMMFXXTXAPR-JTDSTZFVSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c(C)c1 ZINC001003627564 1264995652 /nfs/dbraw/zinc/99/56/52/1264995652.db2.gz GNTYRMVBPGACLJ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC001003628118 1264997508 /nfs/dbraw/zinc/99/75/08/1264997508.db2.gz LQWSRMBFDUMHDQ-GOSISDBHSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC001003628125 1264998313 /nfs/dbraw/zinc/99/83/13/1264998313.db2.gz LVNZZZZECGWKCH-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001410393087 1264999420 /nfs/dbraw/zinc/99/94/20/1264999420.db2.gz UJFCWDJIBQMXDA-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001410393091 1265000434 /nfs/dbraw/zinc/00/04/34/1265000434.db2.gz UJFCWDJIBQMXDA-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049746 1265029455 /nfs/dbraw/zinc/02/94/55/1265029455.db2.gz WJHBNXHZWIHNPA-OTWHNJEPSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049746 1265029464 /nfs/dbraw/zinc/02/94/64/1265029464.db2.gz WJHBNXHZWIHNPA-OTWHNJEPSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001273001351 1265062977 /nfs/dbraw/zinc/06/29/77/1265062977.db2.gz FSTAJICSADBTNK-CRAIPNDOSA-N 1 3 337.483 2.705 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)C1 ZINC001085074881 1265083388 /nfs/dbraw/zinc/08/33/88/1265083388.db2.gz HEWQEATZCZJPIL-NXHRZFHOSA-N 1 3 347.528 2.513 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)C1 ZINC001085074881 1265083398 /nfs/dbraw/zinc/08/33/98/1265083398.db2.gz HEWQEATZCZJPIL-NXHRZFHOSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001085101227 1265143809 /nfs/dbraw/zinc/14/38/09/1265143809.db2.gz PRVVMJSPEJDULK-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001085101227 1265143814 /nfs/dbraw/zinc/14/38/14/1265143814.db2.gz PRVVMJSPEJDULK-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592517 1266586999 /nfs/dbraw/zinc/58/69/99/1266586999.db2.gz RKSLBYSPUIURBZ-HDICACEKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]2C1 ZINC000946592517 1266587006 /nfs/dbraw/zinc/58/70/06/1266587006.db2.gz RKSLBYSPUIURBZ-HDICACEKSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004373071 1266797691 /nfs/dbraw/zinc/79/76/91/1266797691.db2.gz UYLLEQMAPZDRDI-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004373071 1266797696 /nfs/dbraw/zinc/79/76/96/1266797696.db2.gz UYLLEQMAPZDRDI-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004374271 1266812208 /nfs/dbraw/zinc/81/22/08/1266812208.db2.gz ZSXZVMHZMCLXHO-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004374271 1266812223 /nfs/dbraw/zinc/81/22/23/1266812223.db2.gz ZSXZVMHZMCLXHO-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000734273861 1266932003 /nfs/dbraw/zinc/93/20/03/1266932003.db2.gz PKFDYLSQAGXUST-SFHVURJKSA-N 1 3 348.535 2.567 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459329 1267097870 /nfs/dbraw/zinc/09/78/70/1267097870.db2.gz SSFJCPOQXFWGEI-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459329 1267097883 /nfs/dbraw/zinc/09/78/83/1267097883.db2.gz SSFJCPOQXFWGEI-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCF)CC2)CCC1 ZINC001004460591 1267099115 /nfs/dbraw/zinc/09/91/15/1267099115.db2.gz ZYFFTGJDOMLBPG-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCCF)CC2)CCC1 ZINC001004460591 1267099127 /nfs/dbraw/zinc/09/91/27/1267099127.db2.gz ZYFFTGJDOMLBPG-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004476025 1267127715 /nfs/dbraw/zinc/12/77/15/1267127715.db2.gz WWSFSJOUUVWCMC-DTIZEGCPSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004476025 1267127718 /nfs/dbraw/zinc/12/77/18/1267127718.db2.gz WWSFSJOUUVWCMC-DTIZEGCPSA-N 1 3 341.927 2.782 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125445 1267151345 /nfs/dbraw/zinc/15/13/45/1267151345.db2.gz DVQXCHOKPJLQBJ-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125445 1267151349 /nfs/dbraw/zinc/15/13/49/1267151349.db2.gz DVQXCHOKPJLQBJ-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085332427 1267179525 /nfs/dbraw/zinc/17/95/25/1267179525.db2.gz XRGYLBWRGMTEBZ-RKVPGOIHSA-N 1 3 327.488 2.624 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623338 1267214430 /nfs/dbraw/zinc/21/44/30/1267214430.db2.gz IEGFNVHAYAFNPB-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623338 1267214434 /nfs/dbraw/zinc/21/44/34/1267214434.db2.gz IEGFNVHAYAFNPB-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623715 1267219246 /nfs/dbraw/zinc/21/92/46/1267219246.db2.gz OAAVOIZHXSCIMF-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623715 1267219254 /nfs/dbraw/zinc/21/92/54/1267219254.db2.gz OAAVOIZHXSCIMF-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623993 1267221381 /nfs/dbraw/zinc/22/13/81/1267221381.db2.gz XSQVOBDENCAMSW-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623993 1267221388 /nfs/dbraw/zinc/22/13/88/1267221388.db2.gz XSQVOBDENCAMSW-HDICACEKSA-N 1 3 333.520 2.607 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623963 1267221516 /nfs/dbraw/zinc/22/15/16/1267221516.db2.gz WKZUGTKSXBVKCJ-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623963 1267221521 /nfs/dbraw/zinc/22/15/21/1267221521.db2.gz WKZUGTKSXBVKCJ-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004548560 1267273543 /nfs/dbraw/zinc/27/35/43/1267273543.db2.gz RSBIJSPQLICZOM-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004548560 1267273554 /nfs/dbraw/zinc/27/35/54/1267273554.db2.gz RSBIJSPQLICZOM-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1)N(C)C ZINC001004549383 1267275796 /nfs/dbraw/zinc/27/57/96/1267275796.db2.gz YQFYQHCHUQIYMA-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1)N(C)C ZINC001004549383 1267275804 /nfs/dbraw/zinc/27/58/04/1267275804.db2.gz YQFYQHCHUQIYMA-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549255 1267276442 /nfs/dbraw/zinc/27/64/42/1267276442.db2.gz WMMKYCGCQSDERN-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549255 1267276448 /nfs/dbraw/zinc/27/64/48/1267276448.db2.gz WMMKYCGCQSDERN-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)C1 ZINC001085393541 1267369817 /nfs/dbraw/zinc/36/98/17/1267369817.db2.gz BOJNNAQJGVOENU-ATZDWAIDSA-N 1 3 347.478 2.685 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)C1 ZINC001085393541 1267369829 /nfs/dbraw/zinc/36/98/29/1267369829.db2.gz BOJNNAQJGVOENU-ATZDWAIDSA-N 1 3 347.478 2.685 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001004622129 1267402746 /nfs/dbraw/zinc/40/27/46/1267402746.db2.gz WJHBCXRMWMTAMI-ZWKOTPCHSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001004622129 1267402748 /nfs/dbraw/zinc/40/27/48/1267402748.db2.gz WJHBCXRMWMTAMI-ZWKOTPCHSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004616663 1267409476 /nfs/dbraw/zinc/40/94/76/1267409476.db2.gz MPELWWRJUKCLRK-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004616663 1267409481 /nfs/dbraw/zinc/40/94/81/1267409481.db2.gz MPELWWRJUKCLRK-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004619033 1267414614 /nfs/dbraw/zinc/41/46/14/1267414614.db2.gz ZHTAVDXGVLKFDI-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004619033 1267414617 /nfs/dbraw/zinc/41/46/17/1267414617.db2.gz ZHTAVDXGVLKFDI-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H](C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079703 1267473904 /nfs/dbraw/zinc/47/39/04/1267473904.db2.gz SUWHIHINKFLHDB-RXVVDRJESA-N 1 3 343.515 2.809 20 0 EFADHO C[C@@H](C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079703 1267473910 /nfs/dbraw/zinc/47/39/10/1267473910.db2.gz SUWHIHINKFLHDB-RXVVDRJESA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CCC2(CC[NH+](CCCC3CCCC3)CC2)C1=O ZINC001273101020 1267668028 /nfs/dbraw/zinc/66/80/28/1267668028.db2.gz LLOGIFPWIAOIRV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001128533228 1267701030 /nfs/dbraw/zinc/70/10/30/1267701030.db2.gz JMENYQXIEQFAIP-SFHVURJKSA-N 1 3 337.483 2.696 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001128551997 1267894568 /nfs/dbraw/zinc/89/45/68/1267894568.db2.gz IOURYQWWXSPZPZ-CJNGLKHVSA-N 1 3 343.874 2.787 20 0 EFADHO CN(C[C@@H]1CCN1CCC1=CCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597794 1267959853 /nfs/dbraw/zinc/95/98/53/1267959853.db2.gz GLKCHBMILSHNSI-PMACEKPBSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001085605649 1267969421 /nfs/dbraw/zinc/96/94/21/1267969421.db2.gz PGBWVJLLGKAQSQ-NZSAHSFTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001085605649 1267969428 /nfs/dbraw/zinc/96/94/28/1267969428.db2.gz PGBWVJLLGKAQSQ-NZSAHSFTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639053 1268091035 /nfs/dbraw/zinc/09/10/35/1268091035.db2.gz HBMZXUWAGWJMFM-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639053 1268091049 /nfs/dbraw/zinc/09/10/49/1268091049.db2.gz HBMZXUWAGWJMFM-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004943991 1268202158 /nfs/dbraw/zinc/20/21/58/1268202158.db2.gz FVAIBITXLSPURM-APWZRJJASA-N 1 3 340.471 2.820 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004943995 1268202695 /nfs/dbraw/zinc/20/26/95/1268202695.db2.gz FVAIBITXLSPURM-QFBILLFUSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004951577 1268241465 /nfs/dbraw/zinc/24/14/65/1268241465.db2.gz FHIQCRRQVFTEAX-YJBOKZPZSA-N 1 3 326.444 2.512 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946765085 1268257196 /nfs/dbraw/zinc/25/71/96/1268257196.db2.gz HSTPHEXEAUWWBO-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946765085 1268257199 /nfs/dbraw/zinc/25/71/99/1268257199.db2.gz HSTPHEXEAUWWBO-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225029 1268312301 /nfs/dbraw/zinc/31/23/01/1268312301.db2.gz CFAZGHSUPCXJHG-LJQANCHMSA-N 1 3 341.499 2.656 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3c[nH]c4cccc(F)c34)CC2)CC1 ZINC001136985008 1278404343 /nfs/dbraw/zinc/40/43/43/1278404343.db2.gz WSJYWLCGACQSFO-UHFFFAOYSA-N 1 3 330.451 2.519 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)CC[C@@H]3C2)C1 ZINC000946779236 1268510497 /nfs/dbraw/zinc/51/04/97/1268510497.db2.gz KSGLTYMJZCPMGC-AABGDIPYSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@H](C)C4)CC[C@@H]3C2)C1 ZINC000946779236 1268510500 /nfs/dbraw/zinc/51/05/00/1268510500.db2.gz KSGLTYMJZCPMGC-AABGDIPYSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1 ZINC000946779819 1268519159 /nfs/dbraw/zinc/51/91/59/1268519159.db2.gz TXDYVHAZBGXYFB-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1 ZINC000946779819 1268519167 /nfs/dbraw/zinc/51/91/67/1268519167.db2.gz TXDYVHAZBGXYFB-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779895 1268520220 /nfs/dbraw/zinc/52/02/20/1268520220.db2.gz VAZRGZVILGTPLL-GBESFXJTSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779895 1268520229 /nfs/dbraw/zinc/52/02/29/1268520229.db2.gz VAZRGZVILGTPLL-GBESFXJTSA-N 1 3 333.520 2.607 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)CC[C@@H]3C2)C1 ZINC000946780026 1268520646 /nfs/dbraw/zinc/52/06/46/1268520646.db2.gz XXNCOMJLOQGXJJ-TUEWSUPBSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@H]4C)CC[C@@H]3C2)C1 ZINC000946780026 1268520653 /nfs/dbraw/zinc/52/06/53/1268520653.db2.gz XXNCOMJLOQGXJJ-TUEWSUPBSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)CC[C@@H]3C2)C1 ZINC000946780024 1268520696 /nfs/dbraw/zinc/52/06/96/1268520696.db2.gz XXNCOMJLOQGXJJ-KPZODNFCSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CCC[C@@H]4C)CC[C@@H]3C2)C1 ZINC000946780024 1268520706 /nfs/dbraw/zinc/52/07/06/1268520706.db2.gz XXNCOMJLOQGXJJ-KPZODNFCSA-N 1 3 347.547 2.687 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799461 1268596675 /nfs/dbraw/zinc/59/66/75/1268596675.db2.gz RLWDUQNJVHYAHX-PXNSSMCTSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799548 1268596926 /nfs/dbraw/zinc/59/69/26/1268596926.db2.gz TWCSIWUSKVJLDA-FQEVSTJZSA-N 1 3 343.515 2.678 20 0 EFADHO CCCc1ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001273364035 1268625164 /nfs/dbraw/zinc/62/51/64/1268625164.db2.gz UOCGXYFVZSPBQR-OAQYLSRUSA-N 1 3 343.515 2.625 20 0 EFADHO CCCc1ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001273364035 1268625169 /nfs/dbraw/zinc/62/51/69/1268625169.db2.gz UOCGXYFVZSPBQR-OAQYLSRUSA-N 1 3 343.515 2.625 20 0 EFADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819566 1268653756 /nfs/dbraw/zinc/65/37/56/1268653756.db2.gz BGXYWFAAHRDZBN-APWZRJJASA-N 1 3 349.494 2.685 20 0 EFADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819567 1268653798 /nfs/dbraw/zinc/65/37/98/1268653798.db2.gz BGXYWFAAHRDZBN-LPHOPBHVSA-N 1 3 349.494 2.685 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819908 1268655722 /nfs/dbraw/zinc/65/57/22/1268655722.db2.gz LNSGIOHQEJVLDM-IBGZPJMESA-N 1 3 331.504 2.737 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033295943 1268680124 /nfs/dbraw/zinc/68/01/24/1268680124.db2.gz OXBLQIRTICJFBI-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033295943 1268680133 /nfs/dbraw/zinc/68/01/33/1268680133.db2.gz OXBLQIRTICJFBI-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033296739 1268682145 /nfs/dbraw/zinc/68/21/45/1268682145.db2.gz YNGNSPRHBUZCKI-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033296739 1268682155 /nfs/dbraw/zinc/68/21/55/1268682155.db2.gz YNGNSPRHBUZCKI-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033294764 1268690042 /nfs/dbraw/zinc/69/00/42/1268690042.db2.gz DXNCWGFIQCYBAY-VQTJNVASSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033295026 1268690554 /nfs/dbraw/zinc/69/05/54/1268690554.db2.gz HCTMWDZMEDPLIL-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033295026 1268690561 /nfs/dbraw/zinc/69/05/61/1268690561.db2.gz HCTMWDZMEDPLIL-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033294762 1268690923 /nfs/dbraw/zinc/69/09/23/1268690923.db2.gz DXNCWGFIQCYBAY-PMACEKPBSA-N 1 3 345.531 2.894 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001033317751 1268774317 /nfs/dbraw/zinc/77/43/17/1268774317.db2.gz DFRBUALMLSXYJE-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001033358756 1268962200 /nfs/dbraw/zinc/96/22/00/1268962200.db2.gz PPALSRXUASNAKH-IHPCNDPISA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001033358756 1268962204 /nfs/dbraw/zinc/96/22/04/1268962204.db2.gz PPALSRXUASNAKH-IHPCNDPISA-N 1 3 343.515 2.758 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001033390055 1269053518 /nfs/dbraw/zinc/05/35/18/1269053518.db2.gz HWSFQYXKAXMMRI-HXUWFJFHSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033415128 1269079526 /nfs/dbraw/zinc/07/95/26/1269079526.db2.gz HDJGJWAOMDRYMH-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033415128 1269079538 /nfs/dbraw/zinc/07/95/38/1269079538.db2.gz HDJGJWAOMDRYMH-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414524 1269080766 /nfs/dbraw/zinc/08/07/66/1269080766.db2.gz CIGLSKPUAWVEHP-LPHOPBHVSA-N 1 3 339.499 2.698 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414524 1269080776 /nfs/dbraw/zinc/08/07/76/1269080776.db2.gz CIGLSKPUAWVEHP-LPHOPBHVSA-N 1 3 339.499 2.698 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085918506 1269081798 /nfs/dbraw/zinc/08/17/98/1269081798.db2.gz FJTDIBTYXURLFH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085918506 1269081807 /nfs/dbraw/zinc/08/18/07/1269081807.db2.gz FJTDIBTYXURLFH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085918506 1269081812 /nfs/dbraw/zinc/08/18/12/1269081812.db2.gz FJTDIBTYXURLFH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085918506 1269081820 /nfs/dbraw/zinc/08/18/20/1269081820.db2.gz FJTDIBTYXURLFH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001033417063 1269088943 /nfs/dbraw/zinc/08/89/43/1269088943.db2.gz UYHQJDMIHOOGFG-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001033417063 1269088950 /nfs/dbraw/zinc/08/89/50/1269088950.db2.gz UYHQJDMIHOOGFG-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033421277 1269124737 /nfs/dbraw/zinc/12/47/37/1269124737.db2.gz WIBLORVQCYKJLX-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033421277 1269124744 /nfs/dbraw/zinc/12/47/44/1269124744.db2.gz WIBLORVQCYKJLX-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422188 1269127294 /nfs/dbraw/zinc/12/72/94/1269127294.db2.gz IDUVCUDIXMDYGG-FQEVSTJZSA-N 1 3 343.515 2.903 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001033423977 1269128695 /nfs/dbraw/zinc/12/86/95/1269128695.db2.gz PSVKJJUIDFVUPL-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001033423977 1269128701 /nfs/dbraw/zinc/12/87/01/1269128701.db2.gz PSVKJJUIDFVUPL-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033471609 1269215750 /nfs/dbraw/zinc/21/57/50/1269215750.db2.gz MCFJWKWBLRDZAD-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033471609 1269215753 /nfs/dbraw/zinc/21/57/53/1269215753.db2.gz MCFJWKWBLRDZAD-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001005177279 1269335175 /nfs/dbraw/zinc/33/51/75/1269335175.db2.gz BYRMHCLERPRPLO-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005183474 1269352990 /nfs/dbraw/zinc/35/29/90/1269352990.db2.gz IQUBAKNELYAQNC-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001005183817 1269353700 /nfs/dbraw/zinc/35/37/00/1269353700.db2.gz KGBOBVMRJNSEDE-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001005186212 1269354972 /nfs/dbraw/zinc/35/49/72/1269354972.db2.gz ZAAAVBVOGPXRLV-PMACEKPBSA-N 1 3 341.499 2.691 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972509 1269365853 /nfs/dbraw/zinc/36/58/53/1269365853.db2.gz AZQHMSOOYHRCKD-RTBURBONSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972509 1269365863 /nfs/dbraw/zinc/36/58/63/1269365863.db2.gz AZQHMSOOYHRCKD-RTBURBONSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986807 1269397363 /nfs/dbraw/zinc/39/73/63/1269397363.db2.gz NKEBBXXRSKLNRF-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986807 1269397374 /nfs/dbraw/zinc/39/73/74/1269397374.db2.gz NKEBBXXRSKLNRF-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987225 1269399919 /nfs/dbraw/zinc/39/99/19/1269399919.db2.gz XEOSBBISUWLWNV-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987225 1269399930 /nfs/dbraw/zinc/39/99/30/1269399930.db2.gz XEOSBBISUWLWNV-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986928 1269400548 /nfs/dbraw/zinc/40/05/48/1269400548.db2.gz PPPMDKUACMVSAZ-WBVHZDCISA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC2CC2)c1 ZINC001085984420 1269409704 /nfs/dbraw/zinc/40/97/04/1269409704.db2.gz CNCWEVSAVPUAFR-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CC2)c1 ZINC001085984420 1269409706 /nfs/dbraw/zinc/40/97/06/1269409706.db2.gz CNCWEVSAVPUAFR-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001409967210 1269444257 /nfs/dbraw/zinc/44/42/57/1269444257.db2.gz PMWOUXYPEMHCOZ-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033574805 1269476539 /nfs/dbraw/zinc/47/65/39/1269476539.db2.gz NHTPYOJMDGUDPK-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033574805 1269476543 /nfs/dbraw/zinc/47/65/43/1269476543.db2.gz NHTPYOJMDGUDPK-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033574705 1269477166 /nfs/dbraw/zinc/47/71/66/1269477166.db2.gz MAGXPSVRSHZLKM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033574705 1269477169 /nfs/dbraw/zinc/47/71/69/1269477169.db2.gz MAGXPSVRSHZLKM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033590371 1269511840 /nfs/dbraw/zinc/51/18/40/1269511840.db2.gz PIELUGBONYCDIV-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033590371 1269511847 /nfs/dbraw/zinc/51/18/47/1269511847.db2.gz PIELUGBONYCDIV-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033595110 1269519998 /nfs/dbraw/zinc/51/99/98/1269519998.db2.gz QYWGCOFQHXWNLK-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033595110 1269520004 /nfs/dbraw/zinc/52/00/04/1269520004.db2.gz QYWGCOFQHXWNLK-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CN1CCCC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700801144 1269547813 /nfs/dbraw/zinc/54/78/13/1269547813.db2.gz AZKOXISBUABBEM-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO CCCc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033663770 1269726648 /nfs/dbraw/zinc/72/66/48/1269726648.db2.gz YWRIHJWRMZQBDR-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCCc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033663770 1269726651 /nfs/dbraw/zinc/72/66/51/1269726651.db2.gz YWRIHJWRMZQBDR-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001033686058 1269798528 /nfs/dbraw/zinc/79/85/28/1269798528.db2.gz ZERKXFLIYNIJSU-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001033686058 1269798537 /nfs/dbraw/zinc/79/85/37/1269798537.db2.gz ZERKXFLIYNIJSU-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686057 1269799942 /nfs/dbraw/zinc/79/99/42/1269799942.db2.gz ZDGLWGBVAXBWBL-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686057 1269799954 /nfs/dbraw/zinc/79/99/54/1269799954.db2.gz ZDGLWGBVAXBWBL-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686163 1269800722 /nfs/dbraw/zinc/80/07/22/1269800722.db2.gz NZTHTEDKBIXMNP-WBVHZDCISA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686163 1269800732 /nfs/dbraw/zinc/80/07/32/1269800732.db2.gz NZTHTEDKBIXMNP-WBVHZDCISA-N 1 3 335.467 2.643 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001086084977 1269858517 /nfs/dbraw/zinc/85/85/17/1269858517.db2.gz NAMCSSCWNZJGQR-ZCNNSNEGSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086085117 1269858603 /nfs/dbraw/zinc/85/86/03/1269858603.db2.gz SYMBFJPOIGEULC-UHOSZYNNSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001410859878 1269899456 /nfs/dbraw/zinc/89/94/56/1269899456.db2.gz LKHPPVXWLOQJBL-JWUWVAEESA-N 1 3 341.499 2.763 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086102184 1269971928 /nfs/dbraw/zinc/97/19/28/1269971928.db2.gz MCWGSXPCBINFAY-OTWHNJEPSA-N 1 3 329.488 2.545 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086102156 1269973522 /nfs/dbraw/zinc/97/35/22/1269973522.db2.gz LPKYASOSDUAGMK-UHOSZYNNSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001086102519 1269974468 /nfs/dbraw/zinc/97/44/68/1269974468.db2.gz ZXFXLFXHFPRQPA-SOLBZPMBSA-N 1 3 349.544 2.649 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001086102518 1269974886 /nfs/dbraw/zinc/97/48/86/1269974886.db2.gz ZXFXLFXHFPRQPA-JZXOWHBKSA-N 1 3 349.544 2.649 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001410873349 1269998222 /nfs/dbraw/zinc/99/82/22/1269998222.db2.gz JLKADLDHZDZIJF-WBVHZDCISA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001410873349 1269998227 /nfs/dbraw/zinc/99/82/27/1269998227.db2.gz JLKADLDHZDZIJF-WBVHZDCISA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086216813 1270517964 /nfs/dbraw/zinc/51/79/64/1270517964.db2.gz AJHBMMQWZQSUEV-FGTMMUONSA-N 1 3 349.544 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086217088 1270518726 /nfs/dbraw/zinc/51/87/26/1270518726.db2.gz NICITDPJHAQJCH-ZCNNSNEGSA-N 1 3 343.515 2.934 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128783604 1270646601 /nfs/dbraw/zinc/64/66/01/1270646601.db2.gz IOKTXLXNQUWYRZ-GUYCJALGSA-N 1 3 339.430 2.606 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128783604 1270646608 /nfs/dbraw/zinc/64/66/08/1270646608.db2.gz IOKTXLXNQUWYRZ-GUYCJALGSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086270457 1270778478 /nfs/dbraw/zinc/77/84/78/1270778478.db2.gz GKDDJKZHJIJHRX-WCVJEAGWSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086270457 1270778484 /nfs/dbraw/zinc/77/84/84/1270778484.db2.gz GKDDJKZHJIJHRX-WCVJEAGWSA-N 1 3 349.906 2.837 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034040314 1270917300 /nfs/dbraw/zinc/91/73/00/1270917300.db2.gz RSIURLTXURFRQR-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034040314 1270917307 /nfs/dbraw/zinc/91/73/07/1270917307.db2.gz RSIURLTXURFRQR-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001034042134 1270948512 /nfs/dbraw/zinc/94/85/12/1270948512.db2.gz LMRIEFJXNJJSQO-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034042134 1270948517 /nfs/dbraw/zinc/94/85/17/1270948517.db2.gz LMRIEFJXNJJSQO-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045107 1270955322 /nfs/dbraw/zinc/95/53/22/1270955322.db2.gz OKIBWGRBNUPDKE-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045107 1270955328 /nfs/dbraw/zinc/95/53/28/1270955328.db2.gz OKIBWGRBNUPDKE-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001034047079 1270958291 /nfs/dbraw/zinc/95/82/91/1270958291.db2.gz YEDIOIDSGCTNKC-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001034047079 1270958296 /nfs/dbraw/zinc/95/82/96/1270958296.db2.gz YEDIOIDSGCTNKC-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001086364672 1271169304 /nfs/dbraw/zinc/16/93/04/1271169304.db2.gz NAMCSSCWNZJGQR-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034133390 1271185546 /nfs/dbraw/zinc/18/55/46/1271185546.db2.gz YUCVWPCRBIZZHD-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034133390 1271185551 /nfs/dbraw/zinc/18/55/51/1271185551.db2.gz YUCVWPCRBIZZHD-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086381585 1271223638 /nfs/dbraw/zinc/22/36/38/1271223638.db2.gz AHORRUWPRMCFHJ-BHIYHBOVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086381869 1271224797 /nfs/dbraw/zinc/22/47/97/1271224797.db2.gz LPKYASOSDUAGMK-BHIYHBOVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001086382844 1271226205 /nfs/dbraw/zinc/22/62/05/1271226205.db2.gz ZXFXLFXHFPRQPA-BQFCYCMXSA-N 1 3 349.544 2.649 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086382348 1271226625 /nfs/dbraw/zinc/22/66/25/1271226625.db2.gz CMWNMPPPRIIZCD-GUDVDZBRSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086382457 1271226877 /nfs/dbraw/zinc/22/68/77/1271226877.db2.gz IRTCWFCWIYHZFF-FHWLQOOXSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001034214379 1271373587 /nfs/dbraw/zinc/37/35/87/1271373587.db2.gz LDPCNTJQFZRWDL-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001034214379 1271373590 /nfs/dbraw/zinc/37/35/90/1271373590.db2.gz LDPCNTJQFZRWDL-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001034215317 1271376083 /nfs/dbraw/zinc/37/60/83/1271376083.db2.gz XUGSNAZYUVQXIJ-BPQIPLTHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001034215317 1271376089 /nfs/dbraw/zinc/37/60/89/1271376089.db2.gz XUGSNAZYUVQXIJ-BPQIPLTHSA-N 1 3 349.544 2.867 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113722747 1278636419 /nfs/dbraw/zinc/63/64/19/1278636419.db2.gz AACCRTVZTRLRHH-HSALFYBXSA-N 1 3 347.547 2.833 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC001034269468 1271509565 /nfs/dbraw/zinc/50/95/65/1271509565.db2.gz FDXAGRSSFTYILI-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001034269468 1271509571 /nfs/dbraw/zinc/50/95/71/1271509571.db2.gz FDXAGRSSFTYILI-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC001034269470 1271509943 /nfs/dbraw/zinc/50/99/43/1271509943.db2.gz FDXAGRSSFTYILI-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001034269470 1271509947 /nfs/dbraw/zinc/50/99/47/1271509947.db2.gz FDXAGRSSFTYILI-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC001086457020 1271567932 /nfs/dbraw/zinc/56/79/32/1271567932.db2.gz GQSRRUAJCYRAFW-OVWQWFNUSA-N 1 3 347.478 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC001086457020 1271567937 /nfs/dbraw/zinc/56/79/37/1271567937.db2.gz GQSRRUAJCYRAFW-OVWQWFNUSA-N 1 3 347.478 2.540 20 0 EFADHO CC[C@H](F)CN1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291603 1271574528 /nfs/dbraw/zinc/57/45/28/1271574528.db2.gz MKUSIASIUXBVKW-HOTGVXAUSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291603 1271574538 /nfs/dbraw/zinc/57/45/38/1271574538.db2.gz MKUSIASIUXBVKW-HOTGVXAUSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291603 1271574549 /nfs/dbraw/zinc/57/45/49/1271574549.db2.gz MKUSIASIUXBVKW-HOTGVXAUSA-N 1 3 332.423 2.667 20 0 EFADHO O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331661 1271675608 /nfs/dbraw/zinc/67/56/08/1271675608.db2.gz UXAGTJYLKZUZSF-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331661 1271675617 /nfs/dbraw/zinc/67/56/17/1271675617.db2.gz UXAGTJYLKZUZSF-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086497514 1271869841 /nfs/dbraw/zinc/86/98/41/1271869841.db2.gz OIOBRHWCQHXDMV-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001034439032 1272004417 /nfs/dbraw/zinc/00/44/17/1272004417.db2.gz SIQNQYKLHWOKIM-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001034439032 1272004428 /nfs/dbraw/zinc/00/44/28/1272004428.db2.gz SIQNQYKLHWOKIM-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001034439034 1272005193 /nfs/dbraw/zinc/00/51/93/1272005193.db2.gz SIQNQYKLHWOKIM-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001034439034 1272005197 /nfs/dbraw/zinc/00/51/97/1272005197.db2.gz SIQNQYKLHWOKIM-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486891 1272139239 /nfs/dbraw/zinc/13/92/39/1272139239.db2.gz CQWOANYLUONCBL-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486891 1272139243 /nfs/dbraw/zinc/13/92/43/1272139243.db2.gz CQWOANYLUONCBL-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773223 1272207579 /nfs/dbraw/zinc/20/75/79/1272207579.db2.gz SBYBNAKQPCOLIZ-XLIONFOSSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773223 1272207585 /nfs/dbraw/zinc/20/75/85/1272207585.db2.gz SBYBNAKQPCOLIZ-XLIONFOSSA-N 1 3 328.431 2.971 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001034533231 1272215093 /nfs/dbraw/zinc/21/50/93/1272215093.db2.gz SVMYRROUCWTZEU-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001034533231 1272215095 /nfs/dbraw/zinc/21/50/95/1272215095.db2.gz SVMYRROUCWTZEU-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536745 1272237493 /nfs/dbraw/zinc/23/74/93/1272237493.db2.gz GKFJERHCMPXYNS-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536745 1272237497 /nfs/dbraw/zinc/23/74/97/1272237497.db2.gz GKFJERHCMPXYNS-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168809939 1272415850 /nfs/dbraw/zinc/41/58/50/1272415850.db2.gz YQOHKBDPZCRJRX-GDBMZVCRSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824268 1272426899 /nfs/dbraw/zinc/42/68/99/1272426899.db2.gz OLDOSPFJJHWTMP-ZBFHGGJFSA-N 1 3 337.508 2.991 20 0 EFADHO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1nccc2c1CCN2 ZINC001168994420 1272571409 /nfs/dbraw/zinc/57/14/09/1272571409.db2.gz DFQCSJOBKGHCHS-UHFFFAOYSA-N 1 3 327.819 2.933 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)C2 ZINC001169098592 1272651133 /nfs/dbraw/zinc/65/11/33/1272651133.db2.gz JHTLJGSDCGVORJ-YIDVYQOGSA-N 1 3 341.471 2.549 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC001169082021 1272658314 /nfs/dbraw/zinc/65/83/14/1272658314.db2.gz XJIBZCOJHLBYPI-FZKCQIBNSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001169131372 1272687364 /nfs/dbraw/zinc/68/73/64/1272687364.db2.gz SQQJOYDKXDLDDD-MEWRGDBZSA-N 1 3 331.529 2.737 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001169131372 1272687368 /nfs/dbraw/zinc/68/73/68/1272687368.db2.gz SQQJOYDKXDLDDD-MEWRGDBZSA-N 1 3 331.529 2.737 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130879 1272688571 /nfs/dbraw/zinc/68/85/71/1272688571.db2.gz PHFPIQMTRSPXGH-MUJYYYPQSA-N 1 3 335.492 2.554 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)C2 ZINC001169130879 1272688580 /nfs/dbraw/zinc/68/85/80/1272688580.db2.gz PHFPIQMTRSPXGH-MUJYYYPQSA-N 1 3 335.492 2.554 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001169139850 1272699912 /nfs/dbraw/zinc/69/99/12/1272699912.db2.gz FHMVJDHXKLRWNV-BWTSREIZSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001169139850 1272699925 /nfs/dbraw/zinc/69/99/25/1272699925.db2.gz FHMVJDHXKLRWNV-BWTSREIZSA-N 1 3 333.520 2.726 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001169143070 1272704739 /nfs/dbraw/zinc/70/47/39/1272704739.db2.gz XFGPTSVCSYBRSE-ALGQRKQJSA-N 1 3 325.500 2.675 20 0 EFADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(Cc2ccsc2)CC1 ZINC001005661433 1272710804 /nfs/dbraw/zinc/71/08/04/1272710804.db2.gz WFRIUYBPVUTOEL-UHFFFAOYSA-N 1 3 347.528 2.799 20 0 EFADHO CCN1CCC([NH2+]CCSCc2ccc(CN(C)C)o2)CC1 ZINC001169219602 1272743189 /nfs/dbraw/zinc/74/31/89/1272743189.db2.gz GCIBDHJEJLZYOH-UHFFFAOYSA-N 1 3 325.522 2.648 20 0 EFADHO C[C@@H](N)c1ccn(-c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)n1 ZINC001169231458 1272748632 /nfs/dbraw/zinc/74/86/32/1272748632.db2.gz JXXJGNCUJHWNSF-SNVBAGLBSA-N 1 3 337.349 2.683 20 0 EFADHO C[C@H](N)c1ccn(-c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)n1 ZINC001169231457 1272748721 /nfs/dbraw/zinc/74/87/21/1272748721.db2.gz JXXJGNCUJHWNSF-JTQLQIEISA-N 1 3 337.349 2.683 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)C1 ZINC001034733357 1272759682 /nfs/dbraw/zinc/75/96/82/1272759682.db2.gz XAVGFSFHKNQYID-BXWFABGCSA-N 1 3 339.499 2.626 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171103300 1278739094 /nfs/dbraw/zinc/73/90/94/1278739094.db2.gz ZWCNSLIOFGQWLB-LJQANCHMSA-N 1 3 335.923 2.813 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001169446925 1272922564 /nfs/dbraw/zinc/92/25/64/1272922564.db2.gz PJZMCZKGCJAVJO-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001169451479 1272925376 /nfs/dbraw/zinc/92/53/76/1272925376.db2.gz HOCHCPXBTKVBPW-INIZCTEOSA-N 1 3 349.494 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001034786637 1272964051 /nfs/dbraw/zinc/96/40/51/1272964051.db2.gz OZPOVEMWTFECJZ-QAQDUYKDSA-N 1 3 332.492 2.858 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001129334824 1272994595 /nfs/dbraw/zinc/99/45/95/1272994595.db2.gz OUDZBUKLEZIOEB-NVXWUHKLSA-N 1 3 335.467 2.570 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001129334824 1272994601 /nfs/dbraw/zinc/99/46/01/1272994601.db2.gz OUDZBUKLEZIOEB-NVXWUHKLSA-N 1 3 335.467 2.570 20 0 EFADHO C[C@@H]1CN(Cc2cc(O)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013104 1273017357 /nfs/dbraw/zinc/01/73/57/1273017357.db2.gz PLXVVNSIBORGNB-DGCLKSJQSA-N 1 3 327.266 2.962 20 0 EFADHO C[NH+](C)CCC(C)(C)Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001169717979 1273118601 /nfs/dbraw/zinc/11/86/01/1273118601.db2.gz IGOQXRFKYQOEFS-QGZVFWFLSA-N 1 3 330.476 2.742 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001034883205 1273146707 /nfs/dbraw/zinc/14/67/07/1273146707.db2.gz ANJCOPBEAPPBJA-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034885522 1273149651 /nfs/dbraw/zinc/14/96/51/1273149651.db2.gz VMCCZBMEMUJYPV-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034936039 1273218901 /nfs/dbraw/zinc/21/89/01/1273218901.db2.gz HZXHWQAFZYGVEU-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034936039 1273218905 /nfs/dbraw/zinc/21/89/05/1273218905.db2.gz HZXHWQAFZYGVEU-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cs1 ZINC001034956513 1273269179 /nfs/dbraw/zinc/26/91/79/1273269179.db2.gz AERACNMLQSIACK-MRXNPFEDSA-N 1 3 335.517 2.621 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001034956591 1273269411 /nfs/dbraw/zinc/26/94/11/1273269411.db2.gz BCWFAIFYQNTNFU-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001034958234 1273272479 /nfs/dbraw/zinc/27/24/79/1273272479.db2.gz DYKAZSABGWALGK-RTBURBONSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1F ZINC001034958087 1273272995 /nfs/dbraw/zinc/27/29/95/1273272995.db2.gz ZJTWDPMBEWUYRY-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957866 1273273706 /nfs/dbraw/zinc/27/37/06/1273273706.db2.gz MPDFBIPXDSCRDS-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1CNCc1ccccc1Cl)C1CC1 ZINC001034959561 1273276298 /nfs/dbraw/zinc/27/62/98/1273276298.db2.gz CEJDNQBMYYPYQC-AEFFLSMTSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001034973695 1273295142 /nfs/dbraw/zinc/29/51/42/1273295142.db2.gz AWAVDFVZLQYZMV-MDASCCDHSA-N 1 3 347.478 2.734 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001034962036 1273313894 /nfs/dbraw/zinc/31/38/94/1273313894.db2.gz ZOFRRNQMIRVSBC-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1F ZINC001034961910 1273314528 /nfs/dbraw/zinc/31/45/28/1273314528.db2.gz XUBXFEDBNAWLQS-MJGOQNOKSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001034964597 1273317476 /nfs/dbraw/zinc/31/74/76/1273317476.db2.gz RORDOTVPIMBBAT-GMNCBBECSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001034966139 1273321977 /nfs/dbraw/zinc/32/19/77/1273321977.db2.gz PFLCGCWIZXGNGQ-MJGOQNOKSA-N 1 3 349.494 2.801 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703615 1273376964 /nfs/dbraw/zinc/37/69/64/1273376964.db2.gz SFPNUIWLUDJYQI-KSZLIROESA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001129358896 1273396006 /nfs/dbraw/zinc/39/60/06/1273396006.db2.gz YBBVUQJDGVJFQT-INIZCTEOSA-N 1 3 335.879 2.517 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001035047720 1273463957 /nfs/dbraw/zinc/46/39/57/1273463957.db2.gz GCQJOWCPLZXSBE-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC001035048900 1273465667 /nfs/dbraw/zinc/46/56/67/1273465667.db2.gz JNIFTAHVWDAGGF-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC001035050706 1273467784 /nfs/dbraw/zinc/46/77/84/1273467784.db2.gz GVPYCPZMODMERQ-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001035051957 1273469384 /nfs/dbraw/zinc/46/93/84/1273469384.db2.gz AWAVDFVZLQYZMV-CCKFTAQKSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001035052883 1273471022 /nfs/dbraw/zinc/47/10/22/1273471022.db2.gz XFHCOPHCZNMYJV-AEFFLSMTSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001035052870 1273471416 /nfs/dbraw/zinc/47/14/16/1273471416.db2.gz WQNXBDOSNUTLCJ-OCCSQVGLSA-N 1 3 343.924 2.822 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)c1 ZINC001035086375 1273492749 /nfs/dbraw/zinc/49/27/49/1273492749.db2.gz TXVMZHJXTULDCF-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO O=C(N1CCC[C@@H]1CNCc1ccccc1Cl)C12CC[NH+](CC1)C2 ZINC001035103200 1273517620 /nfs/dbraw/zinc/51/76/20/1273517620.db2.gz VNLCASOZFNOXPV-MRXNPFEDSA-N 1 3 347.890 2.516 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)cs1 ZINC001108832384 1273524145 /nfs/dbraw/zinc/52/41/45/1273524145.db2.gz RDXISHMIGRRDNB-JQHSSLGASA-N 1 3 349.544 2.866 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035134059 1273605808 /nfs/dbraw/zinc/60/58/08/1273605808.db2.gz RUPXPQJLNRDYIN-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001035166618 1273676370 /nfs/dbraw/zinc/67/63/70/1273676370.db2.gz RRVIDTYEMQPBEJ-KRWDZBQOSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001035166618 1273676381 /nfs/dbraw/zinc/67/63/81/1273676381.db2.gz RRVIDTYEMQPBEJ-KRWDZBQOSA-N 1 3 347.528 2.657 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196577 1273759112 /nfs/dbraw/zinc/75/91/12/1273759112.db2.gz PDPVNKSGPZYXFI-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196577 1273759119 /nfs/dbraw/zinc/75/91/19/1273759119.db2.gz PDPVNKSGPZYXFI-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC3)C1 ZINC001035193386 1273812579 /nfs/dbraw/zinc/81/25/79/1273812579.db2.gz AKDHNVZCIAZQTA-FAFZWHIHSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)[C@@H](C2CC2)N(C)C)CC3)C1 ZINC001035193386 1273812588 /nfs/dbraw/zinc/81/25/88/1273812588.db2.gz AKDHNVZCIAZQTA-FAFZWHIHSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194028 1273814130 /nfs/dbraw/zinc/81/41/30/1273814130.db2.gz SVGNUTXNFGHQHO-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194028 1273814138 /nfs/dbraw/zinc/81/41/38/1273814138.db2.gz SVGNUTXNFGHQHO-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035193892 1273815882 /nfs/dbraw/zinc/81/58/82/1273815882.db2.gz RMTSRWQAZUJECH-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035193892 1273815895 /nfs/dbraw/zinc/81/58/95/1273815895.db2.gz RMTSRWQAZUJECH-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194344 1273817079 /nfs/dbraw/zinc/81/70/79/1273817079.db2.gz ILDIUQBKFYVGJZ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194344 1273817085 /nfs/dbraw/zinc/81/70/85/1273817085.db2.gz ILDIUQBKFYVGJZ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226656 1273846562 /nfs/dbraw/zinc/84/65/62/1273846562.db2.gz JFSDLTJWWOMRPI-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226656 1273846568 /nfs/dbraw/zinc/84/65/68/1273846568.db2.gz JFSDLTJWWOMRPI-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238835 1273904972 /nfs/dbraw/zinc/90/49/72/1273904972.db2.gz IKQJWUOJMDPSQC-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238835 1273904975 /nfs/dbraw/zinc/90/49/75/1273904975.db2.gz IKQJWUOJMDPSQC-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238846 1273905478 /nfs/dbraw/zinc/90/54/78/1273905478.db2.gz ITFDESIPBLAJBE-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238846 1273905487 /nfs/dbraw/zinc/90/54/87/1273905487.db2.gz ITFDESIPBLAJBE-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC1(C)CC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC(C)(C)N1O ZINC001169984636 1273990858 /nfs/dbraw/zinc/99/08/58/1273990858.db2.gz NERNEVOGAORQKA-JCNLHEQBSA-N 1 3 339.524 2.630 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359457 1274190400 /nfs/dbraw/zinc/19/04/00/1274190400.db2.gz MMDQKWZYAWQYDF-BOMSJUHPSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359457 1274190403 /nfs/dbraw/zinc/19/04/03/1274190403.db2.gz MMDQKWZYAWQYDF-BOMSJUHPSA-N 1 3 339.499 2.744 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109371798 1274201575 /nfs/dbraw/zinc/20/15/75/1274201575.db2.gz VMHPBODUHYHDGY-VSZNYVQBSA-N 1 3 339.499 2.722 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109371798 1274201582 /nfs/dbraw/zinc/20/15/82/1274201582.db2.gz VMHPBODUHYHDGY-VSZNYVQBSA-N 1 3 339.499 2.722 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705958 1274384260 /nfs/dbraw/zinc/38/42/60/1274384260.db2.gz IHWAKCRTONYPCN-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705958 1274384267 /nfs/dbraw/zinc/38/42/67/1274384267.db2.gz IHWAKCRTONYPCN-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)C1CC1 ZINC001035720604 1274406292 /nfs/dbraw/zinc/40/62/92/1274406292.db2.gz LGMWGLZIFWUXHZ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)C1CC1 ZINC001035720567 1274406513 /nfs/dbraw/zinc/40/65/13/1274406513.db2.gz KJCRHDRLLIKCLK-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)N(C)C ZINC001035727737 1274415473 /nfs/dbraw/zinc/41/54/73/1274415473.db2.gz XPKVWGUAQNJOPE-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555296 1274424367 /nfs/dbraw/zinc/42/43/67/1274424367.db2.gz KPYSVQJBQMSFSX-FPBXRRPWSA-N 1 3 345.531 2.939 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555296 1274424378 /nfs/dbraw/zinc/42/43/78/1274424378.db2.gz KPYSVQJBQMSFSX-FPBXRRPWSA-N 1 3 345.531 2.939 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035754648 1274439641 /nfs/dbraw/zinc/43/96/41/1274439641.db2.gz FSYQPORCUSKIKB-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)N(C)C ZINC001035788306 1274482594 /nfs/dbraw/zinc/48/25/94/1274482594.db2.gz XPKVWGUAQNJOPE-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC001035797283 1274495670 /nfs/dbraw/zinc/49/56/70/1274495670.db2.gz HTFQMSUQWFLDDZ-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035798871 1274496621 /nfs/dbraw/zinc/49/66/21/1274496621.db2.gz QVNHTGYSIHBYBO-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC001035798799 1274496663 /nfs/dbraw/zinc/49/66/63/1274496663.db2.gz PBYFFVKDVLGCDY-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO Cc1cc(C)cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109653524 1274523797 /nfs/dbraw/zinc/52/37/97/1274523797.db2.gz VVLVPZIFZKAFFL-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO CC1CCC(C[NH+]2CC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)CC1 ZINC001035803877 1274527374 /nfs/dbraw/zinc/52/73/74/1274527374.db2.gz IXSYXFSSAVQUEA-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814568 1274548877 /nfs/dbraw/zinc/54/88/77/1274548877.db2.gz OSONIYDJFYXRAN-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814568 1274548880 /nfs/dbraw/zinc/54/88/80/1274548880.db2.gz OSONIYDJFYXRAN-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850820 1274557918 /nfs/dbraw/zinc/55/79/18/1274557918.db2.gz FSPNZWFUOZOUMF-SFHVURJKSA-N 1 3 341.499 2.768 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836092 1274573340 /nfs/dbraw/zinc/57/33/40/1274573340.db2.gz GBJNSAXKMGCJKM-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CCC[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035859692 1274613970 /nfs/dbraw/zinc/61/39/70/1274613970.db2.gz WWLSUWNGGPMPPC-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036027139 1274899224 /nfs/dbraw/zinc/89/92/24/1274899224.db2.gz GGHDTKKXFXGEGC-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036031718 1274906186 /nfs/dbraw/zinc/90/61/86/1274906186.db2.gz XNILIYPIPGBYKA-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC001036052610 1274976854 /nfs/dbraw/zinc/97/68/54/1274976854.db2.gz BJFLAULKCZBVSE-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001036053212 1274978464 /nfs/dbraw/zinc/97/84/64/1274978464.db2.gz DVKGOQBYOOARLK-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001036055107 1274981420 /nfs/dbraw/zinc/98/14/20/1274981420.db2.gz NJPONXIOGMCTDN-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036059213 1274986874 /nfs/dbraw/zinc/98/68/74/1274986874.db2.gz DEEXNQDSCJGFSB-APWZRJJASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cs1 ZINC001036060768 1274988344 /nfs/dbraw/zinc/98/83/44/1274988344.db2.gz CFNLWTLLCDNKRV-YOEHRIQHSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036064168 1274994052 /nfs/dbraw/zinc/99/40/52/1274994052.db2.gz MGYBYRSEIKYGNW-QAPCUYQASA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036065315 1275017401 /nfs/dbraw/zinc/01/74/01/1275017401.db2.gz OLCNBGNYAIAZNB-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036066741 1275021628 /nfs/dbraw/zinc/02/16/28/1275021628.db2.gz RTDLDZKEBQGTIN-LPHOPBHVSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036069637 1275025026 /nfs/dbraw/zinc/02/50/26/1275025026.db2.gz ZBMKSPFCZBIEKE-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1 ZINC001112548500 1275129041 /nfs/dbraw/zinc/12/90/41/1275129041.db2.gz CUMCNFCGWBAKMC-HKUYNNGSSA-N 1 3 341.515 2.686 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036193179 1275203701 /nfs/dbraw/zinc/20/37/01/1275203701.db2.gz LLZANVOREZEUEQ-VQIMIIECSA-N 1 3 340.471 2.596 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036203661 1275221275 /nfs/dbraw/zinc/22/12/75/1275221275.db2.gz HFDBCNNHCRIRRE-BEFAXECRSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)s1 ZINC001036191904 1275249055 /nfs/dbraw/zinc/24/90/55/1275249055.db2.gz FTJHJRJBFUURMP-SJCJKPOMSA-N 1 3 346.500 2.657 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H](C)C2)CC1 ZINC001036226517 1275255061 /nfs/dbraw/zinc/25/50/61/1275255061.db2.gz TXJSWARTFBVMQU-HKUYNNGSSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586346 1275312119 /nfs/dbraw/zinc/31/21/19/1275312119.db2.gz VHCOBTFUCCWWPC-ICSRJNTNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036302401 1275384758 /nfs/dbraw/zinc/38/47/58/1275384758.db2.gz JCAQZIUDTKVZSF-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CC1 ZINC001036305909 1275425968 /nfs/dbraw/zinc/42/59/68/1275425968.db2.gz VJDVXDFLEBMTIM-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036305913 1275426114 /nfs/dbraw/zinc/42/61/14/1275426114.db2.gz VJDVXDFLEBMTIM-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001036306767 1275427234 /nfs/dbraw/zinc/42/72/34/1275427234.db2.gz YOWHYPZZYMBPRK-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036414414 1275561351 /nfs/dbraw/zinc/56/13/51/1275561351.db2.gz OCLPHCJDBWIZNI-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036398826 1275584590 /nfs/dbraw/zinc/58/45/90/1275584590.db2.gz BVSBTBVEBIZZDC-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036398827 1275585267 /nfs/dbraw/zinc/58/52/67/1275585267.db2.gz BVSBTBVEBIZZDC-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036472969 1275718514 /nfs/dbraw/zinc/71/85/14/1275718514.db2.gz JXMCYOVSPWALQK-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086552362 1275734996 /nfs/dbraw/zinc/73/49/96/1275734996.db2.gz GKDDJKZHJIJHRX-VGWMRTNUSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086552362 1275735000 /nfs/dbraw/zinc/73/50/00/1275735000.db2.gz GKDDJKZHJIJHRX-VGWMRTNUSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036451802 1275735439 /nfs/dbraw/zinc/73/54/39/1275735439.db2.gz QCQQMGNWTGUAHT-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001086558847 1275946074 /nfs/dbraw/zinc/94/60/74/1275946074.db2.gz WXLZREBQXIKRKZ-SZVBFZGTSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](Cc1ccccc1Cl)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001170284719 1279001244 /nfs/dbraw/zinc/00/12/44/1279001244.db2.gz PFYFMKQGUVVUPW-MRXNPFEDSA-N 1 3 335.923 2.983 20 0 EFADHO C[C@@H](c1ccc(F)cc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788482164 1276193539 /nfs/dbraw/zinc/19/35/39/1276193539.db2.gz IWVIQTHLLCDYKA-HNNXBMFYSA-N 1 3 337.458 2.985 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135976164 1276274880 /nfs/dbraw/zinc/27/48/80/1276274880.db2.gz HFZAWUXWGWWNFZ-IRXDYDNUSA-N 1 3 349.519 2.548 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135976530 1276274904 /nfs/dbraw/zinc/27/49/04/1276274904.db2.gz KVGNQFKRPYACOL-HZOVXUMNSA-N 1 3 331.504 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135977536 1276275369 /nfs/dbraw/zinc/27/53/69/1276275369.db2.gz VBUOWNBEEBKYQE-SJORKVTESA-N 1 3 345.531 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135977559 1276275638 /nfs/dbraw/zinc/27/56/38/1276275638.db2.gz VPBPEUAEXUUNLE-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135977699 1276275888 /nfs/dbraw/zinc/27/58/88/1276275888.db2.gz XPASVXSHDYXSLP-IRXDYDNUSA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135977698 1276276301 /nfs/dbraw/zinc/27/63/01/1276276301.db2.gz XPASVXSHDYXSLP-IAGOWNOFSA-N 1 3 333.520 2.964 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135991353 1276280612 /nfs/dbraw/zinc/28/06/12/1276280612.db2.gz CFRXZRQAEATTJF-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135991353 1276280614 /nfs/dbraw/zinc/28/06/14/1276280614.db2.gz CFRXZRQAEATTJF-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831169 1276334970 /nfs/dbraw/zinc/33/49/70/1276334970.db2.gz LOQACVSMSRQNAN-BGYRXZFFSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831169 1276334982 /nfs/dbraw/zinc/33/49/82/1276334982.db2.gz LOQACVSMSRQNAN-BGYRXZFFSA-N 1 3 347.547 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001136031445 1276340450 /nfs/dbraw/zinc/34/04/50/1276340450.db2.gz LIKQZDIAXWDMSI-ZIAGYGMSSA-N 1 3 348.516 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001136031542 1276340488 /nfs/dbraw/zinc/34/04/88/1276340488.db2.gz MSOXYKDHJRYHHC-CVEARBPZSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001136032220 1276340954 /nfs/dbraw/zinc/34/09/54/1276340954.db2.gz XQPITSKFEKUNEG-RYUDHWBXSA-N 1 3 348.413 2.866 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001136032266 1276341263 /nfs/dbraw/zinc/34/12/63/1276341263.db2.gz YEDLDUOZNUSBEU-KBPBESRZSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001136032049 1276341492 /nfs/dbraw/zinc/34/14/92/1276341492.db2.gz VFFOUGXMGVSDNT-STQMWFEESA-N 1 3 348.878 2.987 20 0 EFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000817888100 1276348055 /nfs/dbraw/zinc/34/80/55/1276348055.db2.gz ANIRSJKEOICPKA-KXBFYZLASA-N 1 3 335.455 2.624 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001136035200 1276349746 /nfs/dbraw/zinc/34/97/46/1276349746.db2.gz LJULRNGNMJFNID-CVEARBPZSA-N 1 3 342.487 2.766 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001136035202 1276350042 /nfs/dbraw/zinc/35/00/42/1276350042.db2.gz LJULRNGNMJFNID-HZPDHXFCSA-N 1 3 342.487 2.766 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901693 1276366170 /nfs/dbraw/zinc/36/61/70/1276366170.db2.gz WYAJVBKABWLLFR-QLFBSQMISA-N 1 3 332.366 2.868 20 0 EFADHO CCCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000109430204 1276380949 /nfs/dbraw/zinc/38/09/49/1276380949.db2.gz MXGTYZBLJGMXKJ-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000109430204 1276380957 /nfs/dbraw/zinc/38/09/57/1276380957.db2.gz MXGTYZBLJGMXKJ-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817961260 1276402070 /nfs/dbraw/zinc/40/20/70/1276402070.db2.gz VTTGSKDQCPXSHB-LNSITVRQSA-N 1 3 346.443 2.851 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985643 1276424394 /nfs/dbraw/zinc/42/43/94/1276424394.db2.gz MOTARXVJKJYFAC-OLZOCXBDSA-N 1 3 336.867 2.716 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818961488 1276550930 /nfs/dbraw/zinc/55/09/30/1276550930.db2.gz SJNUGLORKMTGCT-CALCHBBNSA-N 1 3 347.503 2.664 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000818961488 1276550941 /nfs/dbraw/zinc/55/09/41/1276550941.db2.gz SJNUGLORKMTGCT-CALCHBBNSA-N 1 3 347.503 2.664 20 0 EFADHO C[C@H](CNCCC(=O)Nc1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC000818969021 1276574044 /nfs/dbraw/zinc/57/40/44/1276574044.db2.gz JCCIXEPSFKIXLV-QGZVFWFLSA-N 1 3 346.519 2.793 20 0 EFADHO CCCCN1CCC([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819042518 1276578351 /nfs/dbraw/zinc/57/83/51/1276578351.db2.gz JILXIIMIMQBLNU-UHFFFAOYSA-N 1 3 346.519 2.935 20 0 EFADHO CCCC[NH+]1CCC(NCCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000819042518 1276578360 /nfs/dbraw/zinc/57/83/60/1276578360.db2.gz JILXIIMIMQBLNU-UHFFFAOYSA-N 1 3 346.519 2.935 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000819105984 1276610572 /nfs/dbraw/zinc/61/05/72/1276610572.db2.gz RERDMCHWCAGUDC-IFUGULHKSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000819105984 1276610582 /nfs/dbraw/zinc/61/05/82/1276610582.db2.gz RERDMCHWCAGUDC-IFUGULHKSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158175 1276660812 /nfs/dbraw/zinc/66/08/12/1276660812.db2.gz ZCOHSHSDKYIWAN-XLIONFOSSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158175 1276660817 /nfs/dbraw/zinc/66/08/17/1276660817.db2.gz ZCOHSHSDKYIWAN-XLIONFOSSA-N 1 3 337.552 2.935 20 0 EFADHO COc1ccc([C@@H]2C[C@H]2NC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000819277752 1276724645 /nfs/dbraw/zinc/72/46/45/1276724645.db2.gz NHJSXKSVLHEKJQ-SESVDKBCSA-N 1 3 340.467 2.634 20 0 EFADHO COc1ccc([C@@H]2C[C@H]2NC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000819277752 1276724652 /nfs/dbraw/zinc/72/46/52/1276724652.db2.gz NHJSXKSVLHEKJQ-SESVDKBCSA-N 1 3 340.467 2.634 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001005992823 1277331370 /nfs/dbraw/zinc/33/13/70/1277331370.db2.gz VUKMDLYLHRRPMI-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)CC2)cs1 ZINC001005996920 1277376528 /nfs/dbraw/zinc/37/65/28/1277376528.db2.gz OEIOYTZMBKIIGM-OAHLLOKOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cs1 ZINC001005996920 1277376537 /nfs/dbraw/zinc/37/65/37/1277376537.db2.gz OEIOYTZMBKIIGM-OAHLLOKOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001005998940 1277398811 /nfs/dbraw/zinc/39/88/11/1277398811.db2.gz XACPTLZOOJMQSL-KBXCAEBGSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001005998940 1277398825 /nfs/dbraw/zinc/39/88/25/1277398825.db2.gz XACPTLZOOJMQSL-KBXCAEBGSA-N 1 3 349.544 2.677 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923286839 1277497455 /nfs/dbraw/zinc/49/74/55/1277497455.db2.gz ARAHBQCBXHFKST-CFVMTHIKSA-N 1 3 330.394 2.668 20 0 EFADHO C[C@@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[C@@H]1[NH3+] ZINC000923289773 1277504844 /nfs/dbraw/zinc/50/48/44/1277504844.db2.gz LPHXRVACMKARJK-MDZRGWNJSA-N 1 3 337.467 2.825 20 0 EFADHO C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[C@@H]1[NH3+] ZINC000923289770 1277504963 /nfs/dbraw/zinc/50/49/63/1277504963.db2.gz LPHXRVACMKARJK-GJYPPUQNSA-N 1 3 337.467 2.825 20 0 EFADHO C[NH2+]C[C@@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000923290441 1277506676 /nfs/dbraw/zinc/50/66/76/1277506676.db2.gz NLAMNHHIGCFCKF-IRXDYDNUSA-N 1 3 337.467 2.697 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000923295923 1277524283 /nfs/dbraw/zinc/52/42/83/1277524283.db2.gz KIZFNMRNNDROSC-SWLSCSKDSA-N 1 3 335.275 2.696 20 0 EFADHO C[C@@](C[NH3+])(NC[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000923296194 1277525263 /nfs/dbraw/zinc/52/52/63/1277525263.db2.gz OQAMHVNNHKYLTA-KKSFZXQISA-N 1 3 337.467 2.872 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086587391 1277553420 /nfs/dbraw/zinc/55/34/20/1277553420.db2.gz RRIQPXAIDMARHU-ZCNNSNEGSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086587391 1277553429 /nfs/dbraw/zinc/55/34/29/1277553429.db2.gz RRIQPXAIDMARHU-ZCNNSNEGSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)NC/C(Cl)=C\Cl ZINC001134857981 1287298978 /nfs/dbraw/zinc/29/89/78/1287298978.db2.gz MDTYSDZGGRLWEF-HUPKAIDTSA-N 1 3 348.318 2.807 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001113486855 1277952556 /nfs/dbraw/zinc/95/25/56/1277952556.db2.gz GPNYQVNBCYSPHR-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)COCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175115849 1287315278 /nfs/dbraw/zinc/31/52/78/1287315278.db2.gz ZIDOMGMIOXJYRD-ZWKOTPCHSA-N 1 3 343.556 2.510 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091026116 1279351878 /nfs/dbraw/zinc/35/18/78/1279351878.db2.gz INSODFWZZIRIEQ-CTWPCTMYSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001091025948 1279352321 /nfs/dbraw/zinc/35/23/21/1279352321.db2.gz ASPCBDHIJCXLLK-NKELODKYSA-N 1 3 347.478 2.683 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091059307 1279484729 /nfs/dbraw/zinc/48/47/29/1279484729.db2.gz MCWGSXPCBINFAY-ACBHZAAOSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]21 ZINC001114487921 1287359108 /nfs/dbraw/zinc/35/91/08/1287359108.db2.gz CSZRUGISHCWQGA-GDAAHCPNSA-N 1 3 343.515 2.833 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]21 ZINC001114487921 1287359111 /nfs/dbraw/zinc/35/91/11/1287359111.db2.gz CSZRUGISHCWQGA-GDAAHCPNSA-N 1 3 343.515 2.833 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255446 1287379912 /nfs/dbraw/zinc/37/99/12/1287379912.db2.gz FVHZMIOFFAOBLM-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262096 1287382902 /nfs/dbraw/zinc/38/29/02/1287382902.db2.gz ATKATRYJKOOFQI-IAGOWNOFSA-N 1 3 329.504 2.733 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263696 1287384879 /nfs/dbraw/zinc/38/48/79/1287384879.db2.gz QOCOWZDSHIMOHS-SJORKVTESA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845970408 1279948546 /nfs/dbraw/zinc/94/85/46/1279948546.db2.gz NBZWEZBMPMFIMX-AQFXKWCLSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001175271368 1287387107 /nfs/dbraw/zinc/38/71/07/1287387107.db2.gz AIZUOAGMHNAFNZ-RZIFZGNASA-N 1 3 329.916 2.735 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccnc1)NC(=O)CN(C)CC(C)(C)C ZINC001175273031 1287388513 /nfs/dbraw/zinc/38/85/13/1287388513.db2.gz NXQJCJQLOCLUHB-KRWDZBQOSA-N 1 3 348.535 2.824 20 0 EFADHO CC[N@H+](CCCNC1CCN(C(=O)OC)CC1)C1CCCCC1 ZINC000846023242 1279984206 /nfs/dbraw/zinc/98/42/06/1279984206.db2.gz RGTHLSVCMTZOJZ-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO CC[N@@H+](CCCNC1CCN(C(=O)OC)CC1)C1CCCCC1 ZINC000846023242 1279984210 /nfs/dbraw/zinc/98/42/10/1279984210.db2.gz RGTHLSVCMTZOJZ-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1)N(C)C ZINC001175305855 1287394889 /nfs/dbraw/zinc/39/48/89/1287394889.db2.gz RICWTCUDPWVIID-HKUYNNGSSA-N 1 3 333.520 2.834 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263182 1280067235 /nfs/dbraw/zinc/06/72/35/1280067235.db2.gz PTVXGVSIPYWHGK-SNMVWEBYSA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263182 1280067241 /nfs/dbraw/zinc/06/72/41/1280067241.db2.gz PTVXGVSIPYWHGK-SNMVWEBYSA-N 1 3 333.520 2.652 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3CCC[C@@H](C)[C@@H]3CC[NH3+])ccc12 ZINC000846227042 1280076062 /nfs/dbraw/zinc/07/60/62/1280076062.db2.gz YVFZVJZADNZDHO-KDOFPFPSSA-N 1 3 344.455 2.930 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001114286917 1280128154 /nfs/dbraw/zinc/12/81/54/1280128154.db2.gz BALDWFFSDBPUKK-CBQDZBKKSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001114286917 1280128159 /nfs/dbraw/zinc/12/81/59/1280128159.db2.gz BALDWFFSDBPUKK-CBQDZBKKSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001175316600 1287399609 /nfs/dbraw/zinc/39/96/09/1287399609.db2.gz KHTAJCOXHFIHLW-OLZOCXBDSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001175317866 1287400736 /nfs/dbraw/zinc/40/07/36/1287400736.db2.gz SKGBUHFQMNSIEB-KXBFYZLASA-N 1 3 348.535 2.803 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001129409987 1280179226 /nfs/dbraw/zinc/17/92/26/1280179226.db2.gz AAVARJUMQFWNIM-KRWDZBQOSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001129409987 1280179234 /nfs/dbraw/zinc/17/92/34/1280179234.db2.gz AAVARJUMQFWNIM-KRWDZBQOSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(Cl)c1 ZINC001129415767 1280181913 /nfs/dbraw/zinc/18/19/13/1280181913.db2.gz CGAACHPFOFOAAE-KRWDZBQOSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1cccc(Cl)c1 ZINC001129415767 1280181927 /nfs/dbraw/zinc/18/19/27/1280181927.db2.gz CGAACHPFOFOAAE-KRWDZBQOSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001129421945 1280184674 /nfs/dbraw/zinc/18/46/74/1280184674.db2.gz DSWWEJMRFKMPJH-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001129421945 1280184677 /nfs/dbraw/zinc/18/46/77/1280184677.db2.gz DSWWEJMRFKMPJH-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)c(Cl)c1 ZINC001129454222 1280195845 /nfs/dbraw/zinc/19/58/45/1280195845.db2.gz HPMADNWKNDEOCI-BZNIZROVSA-N 1 3 341.858 2.586 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC001129443314 1280201341 /nfs/dbraw/zinc/20/13/41/1280201341.db2.gz ITLCBIHUSRWESR-IBGZPJMESA-N 1 3 329.488 2.500 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CCC1 ZINC001129532431 1280234846 /nfs/dbraw/zinc/23/48/46/1280234846.db2.gz ZXYWJTLZUDAKAO-UHFFFAOYSA-N 1 3 331.504 2.674 20 0 EFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCCC2 ZINC000872037962 1287408557 /nfs/dbraw/zinc/40/85/57/1287408557.db2.gz IZKSWYPCXJXRSV-KRWDZBQOSA-N 1 3 348.487 2.518 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)c(Cl)c1 ZINC001129535720 1280253000 /nfs/dbraw/zinc/25/30/00/1280253000.db2.gz ZVIMQLOCAAAVCF-LBPRGKRZSA-N 1 3 341.858 2.730 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000804534409 1280269114 /nfs/dbraw/zinc/26/91/14/1280269114.db2.gz QEZWWCDCYRNETI-FQEVSTJZSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000804534409 1280269122 /nfs/dbraw/zinc/26/91/22/1280269122.db2.gz QEZWWCDCYRNETI-FQEVSTJZSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001171238907 1280344262 /nfs/dbraw/zinc/34/42/62/1280344262.db2.gz ZLDLEBOGXLEGFR-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001129953920 1280379137 /nfs/dbraw/zinc/37/91/37/1280379137.db2.gz UUWLOQHCUXOTPE-BBRMVZONSA-N 1 3 325.884 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001129947340 1280381366 /nfs/dbraw/zinc/38/13/66/1280381366.db2.gz VSFBILGSRSMIQJ-SJORKVTESA-N 1 3 337.895 2.619 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001129947143 1280381774 /nfs/dbraw/zinc/38/17/74/1280381774.db2.gz LLZDHFVPQWEOQT-SJORKVTESA-N 1 3 337.895 2.619 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248050 1280438840 /nfs/dbraw/zinc/43/88/40/1280438840.db2.gz QHYXQDKWPILGNW-CJNGLKHVSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248051 1280439366 /nfs/dbraw/zinc/43/93/66/1280439366.db2.gz QHYXQDKWPILGNW-CZUORRHYSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248344 1280440266 /nfs/dbraw/zinc/44/02/66/1280440266.db2.gz SWHGCWYOZRAQED-RHSMWYFYSA-N 1 3 337.533 2.853 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2F)C1 ZINC001091377733 1280456508 /nfs/dbraw/zinc/45/65/08/1280456508.db2.gz WXLZREBQXIKRKZ-KVWWFHCMSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN(C)C1CCC1 ZINC001171253321 1280529439 /nfs/dbraw/zinc/52/94/39/1280529439.db2.gz BTUQQBJMAPMNOZ-OAHLLOKOSA-N 1 3 337.533 2.997 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N(C)C ZINC001130205278 1280574054 /nfs/dbraw/zinc/57/40/54/1280574054.db2.gz JLMWEPYMBYVUOZ-SWLSCSKDSA-N 1 3 345.409 2.812 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000846958631 1280660599 /nfs/dbraw/zinc/66/05/99/1280660599.db2.gz DPICAVKVNMAJRE-SFHVURJKSA-N 1 3 344.503 2.545 20 0 EFADHO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000872138739 1287442220 /nfs/dbraw/zinc/44/22/20/1287442220.db2.gz YANGLVFMFZBHCC-VLIAUNLRSA-N 1 3 348.487 2.590 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCc1ccccc1Cl ZINC001130424920 1280856770 /nfs/dbraw/zinc/85/67/70/1280856770.db2.gz HAFJGAKLWATMCL-UHFFFAOYSA-N 1 3 339.911 2.709 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001130425374 1280857340 /nfs/dbraw/zinc/85/73/40/1280857340.db2.gz WNCLUPHROQCFSY-VOTSOKGWSA-N 1 3 337.895 2.789 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001130427900 1280862015 /nfs/dbraw/zinc/86/20/15/1280862015.db2.gz SWPWYMRXLHCQSJ-UHFFFAOYSA-N 1 3 333.520 2.821 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001130427345 1280863505 /nfs/dbraw/zinc/86/35/05/1280863505.db2.gz MISLKPSUALFNHQ-OAHLLOKOSA-N 1 3 331.504 2.672 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001130419372 1280880627 /nfs/dbraw/zinc/88/06/27/1280880627.db2.gz XSHFYNCLANIVAG-UHFFFAOYSA-N 1 3 333.520 2.920 20 0 EFADHO CC(C)OCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583933 1280939943 /nfs/dbraw/zinc/93/99/43/1280939943.db2.gz PZZFBLBOZOWEKO-IAGOWNOFSA-N 1 3 349.519 2.660 20 0 EFADHO CC(C)OCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583935 1280940137 /nfs/dbraw/zinc/94/01/37/1280940137.db2.gz PZZFBLBOZOWEKO-SJORKVTESA-N 1 3 349.519 2.660 20 0 EFADHO CC(C)OCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583679 1280940227 /nfs/dbraw/zinc/94/02/27/1280940227.db2.gz NNBVDXDLUFVJJG-SJORKVTESA-N 1 3 349.519 2.660 20 0 EFADHO CCOCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583712 1280940348 /nfs/dbraw/zinc/94/03/48/1280940348.db2.gz OGPMVJYKRDCVJA-DLBZAZTESA-N 1 3 349.519 2.661 20 0 EFADHO COCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001146590832 1280945720 /nfs/dbraw/zinc/94/57/20/1280945720.db2.gz BUYHXSDBIOYOHH-IAGOWNOFSA-N 1 3 349.519 2.546 20 0 EFADHO Cc1cccc(OCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146600915 1280949322 /nfs/dbraw/zinc/94/93/22/1280949322.db2.gz JNMULOGVJQOFPX-MSOLQXFVSA-N 1 3 349.519 2.587 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001146600369 1280949654 /nfs/dbraw/zinc/94/96/54/1280949654.db2.gz GJKKOOZMNJONKF-ZWKOTPCHSA-N 1 3 349.519 2.669 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806149727 1280990899 /nfs/dbraw/zinc/99/08/99/1280990899.db2.gz XEZGQQOBVMSXPG-USXIJHARSA-N 1 3 335.879 2.690 20 0 EFADHO Cc1ccc(CNCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1F ZINC001130622503 1281054810 /nfs/dbraw/zinc/05/48/10/1281054810.db2.gz MCCQTQGVCSHUCZ-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1ccc(CNCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cc1F ZINC001130622503 1281054816 /nfs/dbraw/zinc/05/48/16/1281054816.db2.gz MCCQTQGVCSHUCZ-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130709221 1281123016 /nfs/dbraw/zinc/12/30/16/1281123016.db2.gz XMYPDPGZSHFHMU-CRAIPNDOSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130709221 1281123019 /nfs/dbraw/zinc/12/30/19/1281123019.db2.gz XMYPDPGZSHFHMU-CRAIPNDOSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001130711622 1281124802 /nfs/dbraw/zinc/12/48/02/1281124802.db2.gz YDQDCTONQXHQOJ-GOSISDBHSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001130711622 1281124809 /nfs/dbraw/zinc/12/48/09/1281124809.db2.gz YDQDCTONQXHQOJ-GOSISDBHSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001130711623 1281125126 /nfs/dbraw/zinc/12/51/26/1281125126.db2.gz YDQDCTONQXHQOJ-SFHVURJKSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001130711623 1281125132 /nfs/dbraw/zinc/12/51/32/1281125132.db2.gz YDQDCTONQXHQOJ-SFHVURJKSA-N 1 3 343.471 2.759 20 0 EFADHO CCOC(=O)C1=C(Nc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CCNC1 ZINC001170520061 1281250337 /nfs/dbraw/zinc/25/03/37/1281250337.db2.gz BVKXNURIHDIQFK-UHFFFAOYSA-N 1 3 341.455 2.910 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCCC(F)(F)F)C2)N(C)C ZINC001147772729 1281256390 /nfs/dbraw/zinc/25/63/90/1281256390.db2.gz AYIZXSSGRZMMEH-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCCC(F)(F)F)C2)N(C)C ZINC001147772729 1281256395 /nfs/dbraw/zinc/25/63/95/1281256395.db2.gz AYIZXSSGRZMMEH-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001147826409 1281305566 /nfs/dbraw/zinc/30/55/66/1281305566.db2.gz VCDVFVWMQSHEAS-RDJZCZTQSA-N 1 3 337.895 2.666 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147835152 1281309771 /nfs/dbraw/zinc/30/97/71/1281309771.db2.gz CYXDNNSZRBTWGR-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001147835152 1281309780 /nfs/dbraw/zinc/30/97/80/1281309780.db2.gz CYXDNNSZRBTWGR-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)cc1)C2 ZINC001147835433 1281309934 /nfs/dbraw/zinc/30/99/34/1281309934.db2.gz HDXIZUFIEKVPHF-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC001147835433 1281309938 /nfs/dbraw/zinc/30/99/38/1281309938.db2.gz HDXIZUFIEKVPHF-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001175571945 1287489209 /nfs/dbraw/zinc/48/92/09/1287489209.db2.gz GULCILAETVHZLS-SJORKVTESA-N 1 3 329.504 2.874 20 0 EFADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175573639 1287490642 /nfs/dbraw/zinc/49/06/42/1287490642.db2.gz PTLWNGLZKDTMKB-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNC2c3ccccc3-c3ccccc32)C1 ZINC001147885194 1281341160 /nfs/dbraw/zinc/34/11/60/1281341160.db2.gz JXRCNBWVRATTKU-INIZCTEOSA-N 1 3 349.478 2.804 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NCCNC2c3ccccc3-c3ccccc32)C1 ZINC001147885194 1281341171 /nfs/dbraw/zinc/34/11/71/1281341171.db2.gz JXRCNBWVRATTKU-INIZCTEOSA-N 1 3 349.478 2.804 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CCCCC(F)(F)F)C2 ZINC001148174546 1281442664 /nfs/dbraw/zinc/44/26/64/1281442664.db2.gz OEFICQOHHNIMJO-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)C1 ZINC001148292556 1281496219 /nfs/dbraw/zinc/49/62/19/1281496219.db2.gz KTCQZZCGZPCUPN-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)C1 ZINC001148292556 1281496223 /nfs/dbraw/zinc/49/62/23/1281496223.db2.gz KTCQZZCGZPCUPN-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292657 1281496282 /nfs/dbraw/zinc/49/62/82/1281496282.db2.gz ONCSETDJWJMZNO-OOFWQKGWSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292657 1281496285 /nfs/dbraw/zinc/49/62/85/1281496285.db2.gz ONCSETDJWJMZNO-OOFWQKGWSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000872252672 1287503202 /nfs/dbraw/zinc/50/32/02/1287503202.db2.gz VIWGBTMWJDVQEI-PCCBWWKXSA-N 1 3 342.483 2.581 20 0 EFADHO CC[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000872252672 1287503206 /nfs/dbraw/zinc/50/32/06/1287503206.db2.gz VIWGBTMWJDVQEI-PCCBWWKXSA-N 1 3 342.483 2.581 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001148359790 1281530813 /nfs/dbraw/zinc/53/08/13/1281530813.db2.gz DKCAMLYOIWUDQG-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091716220 1281533620 /nfs/dbraw/zinc/53/36/20/1281533620.db2.gz OLSUPGYNPHQJGO-DYXWJJEUSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091716220 1281533629 /nfs/dbraw/zinc/53/36/29/1281533629.db2.gz OLSUPGYNPHQJGO-DYXWJJEUSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001148469425 1281564052 /nfs/dbraw/zinc/56/40/52/1281564052.db2.gz JSWVMBQYNOBTPW-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC001148469425 1281564066 /nfs/dbraw/zinc/56/40/66/1281564066.db2.gz JSWVMBQYNOBTPW-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCCC(F)(F)F)C2 ZINC001148469712 1281565354 /nfs/dbraw/zinc/56/53/54/1281565354.db2.gz RGVLRUPYOHNWJV-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCCC(F)(F)F)C2 ZINC001148469712 1281565365 /nfs/dbraw/zinc/56/53/65/1281565365.db2.gz RGVLRUPYOHNWJV-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1ccccc1F)C2 ZINC001148551508 1281626069 /nfs/dbraw/zinc/62/60/69/1281626069.db2.gz MJMAMHWHFXBVOY-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1ccccc1F)C2 ZINC001148551508 1281626079 /nfs/dbraw/zinc/62/60/79/1281626079.db2.gz MJMAMHWHFXBVOY-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC001148551936 1281627074 /nfs/dbraw/zinc/62/70/74/1281627074.db2.gz YCJRNXJFHKLDEV-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC001148551936 1281627085 /nfs/dbraw/zinc/62/70/85/1281627085.db2.gz YCJRNXJFHKLDEV-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC001148646972 1281671188 /nfs/dbraw/zinc/67/11/88/1281671188.db2.gz IJFKHFBKSVJTPM-JXMROGBWSA-N 1 3 341.499 2.576 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC001148646972 1281671192 /nfs/dbraw/zinc/67/11/92/1281671192.db2.gz IJFKHFBKSVJTPM-JXMROGBWSA-N 1 3 341.499 2.576 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148656772 1281674045 /nfs/dbraw/zinc/67/40/45/1281674045.db2.gz DAXOTAVALHTOGT-UHFFFAOYSA-N 1 3 335.517 2.514 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148656772 1281674056 /nfs/dbraw/zinc/67/40/56/1281674056.db2.gz DAXOTAVALHTOGT-UHFFFAOYSA-N 1 3 335.517 2.514 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148651735 1281675193 /nfs/dbraw/zinc/67/51/93/1281675193.db2.gz OMLONPGUUYSZGK-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148651735 1281675206 /nfs/dbraw/zinc/67/52/06/1281675206.db2.gz OMLONPGUUYSZGK-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001148651537 1281675576 /nfs/dbraw/zinc/67/55/76/1281675576.db2.gz ILMAWOJKUZNNHR-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001148651537 1281675587 /nfs/dbraw/zinc/67/55/87/1281675587.db2.gz ILMAWOJKUZNNHR-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1cc(CN2CCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)cs1 ZINC001148625565 1281694374 /nfs/dbraw/zinc/69/43/74/1281694374.db2.gz DPRMKLIPCTUPPW-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(CF)cc1)C2 ZINC001148839955 1281780649 /nfs/dbraw/zinc/78/06/49/1281780649.db2.gz WARPKASMQZDQLR-UHFFFAOYSA-N 1 3 347.478 2.531 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001148839955 1281780659 /nfs/dbraw/zinc/78/06/59/1281780659.db2.gz WARPKASMQZDQLR-UHFFFAOYSA-N 1 3 347.478 2.531 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001148845175 1281782739 /nfs/dbraw/zinc/78/27/39/1281782739.db2.gz XEEISOROARZAAG-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC001148845175 1281782746 /nfs/dbraw/zinc/78/27/46/1281782746.db2.gz XEEISOROARZAAG-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091758663 1281795552 /nfs/dbraw/zinc/79/55/52/1281795552.db2.gz HVXYDDKLVOYPKK-LQWHRVPQSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091758663 1281795555 /nfs/dbraw/zinc/79/55/55/1281795555.db2.gz HVXYDDKLVOYPKK-LQWHRVPQSA-N 1 3 349.563 2.789 20 0 EFADHO CN(C)CCN1CCC2(CC[NH+](CC3(C)CCCCC3)CC2)C1=O ZINC001273451301 1281857718 /nfs/dbraw/zinc/85/77/18/1281857718.db2.gz VXDOEXMKMOMQJP-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001086882133 1281870842 /nfs/dbraw/zinc/87/08/42/1281870842.db2.gz BNAQRLVOUILAIL-FUHWJXTLSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086908310 1281909790 /nfs/dbraw/zinc/90/97/90/1281909790.db2.gz WNXDUVVISHAJEQ-ZWKOTPCHSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942175 1281972516 /nfs/dbraw/zinc/97/25/16/1281972516.db2.gz KRHVYIHHOPCGGB-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001086942827 1281974361 /nfs/dbraw/zinc/97/43/61/1281974361.db2.gz BSNCULXYTLQKLC-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@@H](C)N(C(=O)Cc4c[nH]cn4)C3)CC2)C1 ZINC001086945745 1281981140 /nfs/dbraw/zinc/98/11/40/1281981140.db2.gz HXHYJZCZJWZRFF-AQFXKWCLSA-N 1 3 344.503 2.701 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001086928345 1281991459 /nfs/dbraw/zinc/99/14/59/1281991459.db2.gz BSNCULXYTLQKLC-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001175786330 1287551927 /nfs/dbraw/zinc/55/19/27/1287551927.db2.gz JDWUSJDCVVLNSJ-CYBMUJFWSA-N 1 3 325.419 2.545 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001175787759 1287552544 /nfs/dbraw/zinc/55/25/44/1287552544.db2.gz WUDBVLJIRQSJQE-AWEZNQCLSA-N 1 3 333.467 2.638 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001175787689 1287552968 /nfs/dbraw/zinc/55/29/68/1287552968.db2.gz WONPYNXYSDJYNF-ZDUSSCGKSA-N 1 3 338.323 2.912 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171368748 1282173388 /nfs/dbraw/zinc/17/33/88/1282173388.db2.gz RVSSPHAKVSIEGN-MJGOQNOKSA-N 1 3 348.535 2.741 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985764 1282284568 /nfs/dbraw/zinc/28/45/68/1282284568.db2.gz GXNVAQPVFKHEQA-GGPKGHCWSA-N 1 3 337.552 2.789 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091985764 1282284574 /nfs/dbraw/zinc/28/45/74/1282284574.db2.gz GXNVAQPVFKHEQA-GGPKGHCWSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091985363 1282285691 /nfs/dbraw/zinc/28/56/91/1282285691.db2.gz NYDBQTNNMPMHBM-SBHAEUEKSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091985363 1282285699 /nfs/dbraw/zinc/28/56/99/1282285699.db2.gz NYDBQTNNMPMHBM-SBHAEUEKSA-N 1 3 343.515 2.553 20 0 EFADHO CC1CC[NH+](CCCCNCc2cnc(C3OCCO3)s2)CC1 ZINC000809606104 1282313560 /nfs/dbraw/zinc/31/35/60/1282313560.db2.gz MFLJVNZNMYYWCB-UHFFFAOYSA-N 1 3 339.505 2.790 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012008 1282335776 /nfs/dbraw/zinc/33/57/76/1282335776.db2.gz LSOHYWMKNZRMLL-NQIIRXRSSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012008 1282335787 /nfs/dbraw/zinc/33/57/87/1282335787.db2.gz LSOHYWMKNZRMLL-NQIIRXRSSA-N 1 3 347.547 2.689 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010781 1282336394 /nfs/dbraw/zinc/33/63/94/1282336394.db2.gz LFPWJABBPQQTRW-POAQFYNOSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010781 1282336403 /nfs/dbraw/zinc/33/64/03/1282336403.db2.gz LFPWJABBPQQTRW-POAQFYNOSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786438 1282338536 /nfs/dbraw/zinc/33/85/36/1282338536.db2.gz SEZDERSBMJBUPH-LJQANCHMSA-N 1 3 341.455 2.513 20 0 EFADHO C[C@@H](CC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000809638618 1282353186 /nfs/dbraw/zinc/35/31/86/1282353186.db2.gz MIJNOLCQBIFDNJ-FHERZECASA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071198 1282367868 /nfs/dbraw/zinc/36/78/68/1282367868.db2.gz LMOXZUZSIYMNCK-GGPKGHCWSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071198 1282367875 /nfs/dbraw/zinc/36/78/75/1282367875.db2.gz LMOXZUZSIYMNCK-GGPKGHCWSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736026 1282435562 /nfs/dbraw/zinc/43/55/62/1282435562.db2.gz ZHDYKBCEXHVJNO-CEWLAPEOSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736026 1282435567 /nfs/dbraw/zinc/43/55/67/1282435567.db2.gz ZHDYKBCEXHVJNO-CEWLAPEOSA-N 1 3 345.531 2.596 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000810192873 1283025605 /nfs/dbraw/zinc/02/56/05/1283025605.db2.gz RDZNJRXGMUOPEI-PBWTXFEYSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000810192873 1283025613 /nfs/dbraw/zinc/02/56/13/1283025613.db2.gz RDZNJRXGMUOPEI-PBWTXFEYSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000810192870 1283025847 /nfs/dbraw/zinc/02/58/47/1283025847.db2.gz RDZNJRXGMUOPEI-CAMMJAKZSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000810192870 1283025861 /nfs/dbraw/zinc/02/58/61/1283025861.db2.gz RDZNJRXGMUOPEI-CAMMJAKZSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000810192872 1283026848 /nfs/dbraw/zinc/02/68/48/1283026848.db2.gz RDZNJRXGMUOPEI-OGWHTMIXSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000810192872 1283026856 /nfs/dbraw/zinc/02/68/56/1283026856.db2.gz RDZNJRXGMUOPEI-OGWHTMIXSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140206 1283036218 /nfs/dbraw/zinc/03/62/18/1283036218.db2.gz GLEYNFDUOUDSDH-ROUUACIJSA-N 1 3 344.503 2.843 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCOC)C1 ZINC001132152962 1283050217 /nfs/dbraw/zinc/05/02/17/1283050217.db2.gz LNSKKTSWGKVTSJ-IRXDYDNUSA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCCOC)C1 ZINC001132152962 1283050227 /nfs/dbraw/zinc/05/02/27/1283050227.db2.gz LNSKKTSWGKVTSJ-IRXDYDNUSA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCOC(C)C)C1 ZINC001132152659 1283050693 /nfs/dbraw/zinc/05/06/93/1283050693.db2.gz GZGHLGFOXWRLTE-SJORKVTESA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCOC(C)C)C1 ZINC001132152659 1283050701 /nfs/dbraw/zinc/05/07/01/1283050701.db2.gz GZGHLGFOXWRLTE-SJORKVTESA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132153867 1283055401 /nfs/dbraw/zinc/05/54/01/1283055401.db2.gz UPMGFUHULIAFQX-HOTGVXAUSA-N 1 3 329.504 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCCF)C1 ZINC001132153867 1283055412 /nfs/dbraw/zinc/05/54/12/1283055412.db2.gz UPMGFUHULIAFQX-HOTGVXAUSA-N 1 3 329.504 2.826 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCCCF ZINC001132214203 1283142495 /nfs/dbraw/zinc/14/24/95/1283142495.db2.gz CZTJSAHTYKTGGD-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCCCF ZINC001132214203 1283142499 /nfs/dbraw/zinc/14/24/99/1283142499.db2.gz CZTJSAHTYKTGGD-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1CCCF ZINC001132202518 1283151692 /nfs/dbraw/zinc/15/16/92/1283151692.db2.gz HYWSCXUAVKYSDL-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1CCCF ZINC001132202519 1283151839 /nfs/dbraw/zinc/15/18/39/1283151839.db2.gz HYWSCXUAVKYSDL-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132265132 1283218482 /nfs/dbraw/zinc/21/84/82/1283218482.db2.gz IJSMLKRRGGFBTO-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132265134 1283219580 /nfs/dbraw/zinc/21/95/80/1283219580.db2.gz IJSMLKRRGGFBTO-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132273593 1283241322 /nfs/dbraw/zinc/24/13/22/1283241322.db2.gz HRGSJIVIEUEBAP-YJBOKZPZSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132273590 1283242056 /nfs/dbraw/zinc/24/20/56/1283242056.db2.gz HRGSJIVIEUEBAP-CRAIPNDOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132273592 1283242399 /nfs/dbraw/zinc/24/23/99/1283242399.db2.gz HRGSJIVIEUEBAP-QAPCUYQASA-N 1 3 335.467 2.577 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132277843 1283249496 /nfs/dbraw/zinc/24/94/96/1283249496.db2.gz JTWGIWWQORJWPW-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001093121201 1283263992 /nfs/dbraw/zinc/26/39/92/1283263992.db2.gz ZEUBFPNZAVSDDG-QRVBRYPASA-N 1 3 337.552 2.981 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001093121201 1283264003 /nfs/dbraw/zinc/26/40/03/1283264003.db2.gz ZEUBFPNZAVSDDG-QRVBRYPASA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)CCC1 ZINC001036735603 1283313285 /nfs/dbraw/zinc/31/32/85/1283313285.db2.gz NCVRGWQUXMGMRW-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)CCC1 ZINC001036735603 1283313294 /nfs/dbraw/zinc/31/32/94/1283313294.db2.gz NCVRGWQUXMGMRW-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735948 1283314051 /nfs/dbraw/zinc/31/40/51/1283314051.db2.gz SJCMWVCPTPBGKT-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735948 1283314065 /nfs/dbraw/zinc/31/40/65/1283314065.db2.gz SJCMWVCPTPBGKT-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735814 1283314350 /nfs/dbraw/zinc/31/43/50/1283314350.db2.gz QMUYTNXKCOVWFL-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735814 1283314360 /nfs/dbraw/zinc/31/43/60/1283314360.db2.gz QMUYTNXKCOVWFL-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736699 1283317235 /nfs/dbraw/zinc/31/72/35/1283317235.db2.gz FCZHOQNRYGIHLN-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736699 1283317244 /nfs/dbraw/zinc/31/72/44/1283317244.db2.gz FCZHOQNRYGIHLN-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736701 1283317543 /nfs/dbraw/zinc/31/75/43/1283317543.db2.gz FCZHOQNRYGIHLN-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736701 1283317557 /nfs/dbraw/zinc/31/75/57/1283317557.db2.gz FCZHOQNRYGIHLN-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736896 1283318273 /nfs/dbraw/zinc/31/82/73/1283318273.db2.gz IOXXWOKELLCAFZ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736896 1283318286 /nfs/dbraw/zinc/31/82/86/1283318286.db2.gz IOXXWOKELLCAFZ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736895 1283318640 /nfs/dbraw/zinc/31/86/40/1283318640.db2.gz IOXXWOKELLCAFZ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736895 1283318651 /nfs/dbraw/zinc/31/86/51/1283318651.db2.gz IOXXWOKELLCAFZ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC2CCC2)C1)C1CCC1 ZINC001036737179 1283319302 /nfs/dbraw/zinc/31/93/02/1283319302.db2.gz MUCJWZWEIZFDEG-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC2CCC2)C1)C1CCC1 ZINC001036737179 1283319313 /nfs/dbraw/zinc/31/93/13/1283319313.db2.gz MUCJWZWEIZFDEG-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737873 1283320414 /nfs/dbraw/zinc/32/04/14/1283320414.db2.gz XGEAIERZYFLGIT-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737873 1283320426 /nfs/dbraw/zinc/32/04/26/1283320426.db2.gz XGEAIERZYFLGIT-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036754928 1283423292 /nfs/dbraw/zinc/42/32/92/1283423292.db2.gz NVYAMEOYSTZQNP-NVXWUHKLSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1 ZINC001036754928 1283423296 /nfs/dbraw/zinc/42/32/96/1283423296.db2.gz NVYAMEOYSTZQNP-NVXWUHKLSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224215 1283512673 /nfs/dbraw/zinc/51/26/73/1283512673.db2.gz NUKQBERSOMQRCL-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224215 1283512681 /nfs/dbraw/zinc/51/26/81/1283512681.db2.gz NUKQBERSOMQRCL-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410809 1283529870 /nfs/dbraw/zinc/52/98/70/1283529870.db2.gz OMFQIYDXDDGKGC-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410809 1283529881 /nfs/dbraw/zinc/52/98/81/1283529881.db2.gz OMFQIYDXDDGKGC-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433372 1283566719 /nfs/dbraw/zinc/56/67/19/1283566719.db2.gz NEQYSOKGHNXFOO-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360506 1283780608 /nfs/dbraw/zinc/78/06/08/1283780608.db2.gz CHHRKYJFLNGZII-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360506 1283780613 /nfs/dbraw/zinc/78/06/13/1283780613.db2.gz CHHRKYJFLNGZII-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361043 1283781681 /nfs/dbraw/zinc/78/16/81/1283781681.db2.gz HFNVGXHYNNZHCX-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361043 1283781692 /nfs/dbraw/zinc/78/16/92/1283781692.db2.gz HFNVGXHYNNZHCX-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372045 1283808624 /nfs/dbraw/zinc/80/86/24/1283808624.db2.gz YDCDLTKGYWVATI-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372045 1283808634 /nfs/dbraw/zinc/80/86/34/1283808634.db2.gz YDCDLTKGYWVATI-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372700 1283812750 /nfs/dbraw/zinc/81/27/50/1283812750.db2.gz HSGRMTREUMFHKI-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372700 1283812756 /nfs/dbraw/zinc/81/27/56/1283812756.db2.gz HSGRMTREUMFHKI-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093376967 1283827244 /nfs/dbraw/zinc/82/72/44/1283827244.db2.gz DZYQGBUNDXAVGQ-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093376967 1283827252 /nfs/dbraw/zinc/82/72/52/1283827252.db2.gz DZYQGBUNDXAVGQ-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378779 1283835322 /nfs/dbraw/zinc/83/53/22/1283835322.db2.gz SXGKGNZXALOBNI-VQIMIIECSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378779 1283835337 /nfs/dbraw/zinc/83/53/37/1283835337.db2.gz SXGKGNZXALOBNI-VQIMIIECSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093379127 1283836679 /nfs/dbraw/zinc/83/66/79/1283836679.db2.gz ZPGWPKFKZORTMZ-YLJYHZDGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093379127 1283836687 /nfs/dbraw/zinc/83/66/87/1283836687.db2.gz ZPGWPKFKZORTMZ-YLJYHZDGSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093379768 1283839032 /nfs/dbraw/zinc/83/90/32/1283839032.db2.gz IRAQBPOOOQPAFI-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093379768 1283839042 /nfs/dbraw/zinc/83/90/42/1283839042.db2.gz IRAQBPOOOQPAFI-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820284 1284096098 /nfs/dbraw/zinc/09/60/98/1284096098.db2.gz FYXFOEUYENVQRH-QZTJIDSGSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820284 1284096108 /nfs/dbraw/zinc/09/61/08/1284096108.db2.gz FYXFOEUYENVQRH-QZTJIDSGSA-N 1 3 333.520 2.607 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2c(Cl)oc3ccccc32)C1 ZINC001176058416 1287689952 /nfs/dbraw/zinc/68/99/52/1287689952.db2.gz XBGOICJQNHCGAX-CYBMUJFWSA-N 1 3 349.862 2.634 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2c(Cl)oc3ccccc32)C1 ZINC001176058416 1287689956 /nfs/dbraw/zinc/68/99/56/1287689956.db2.gz XBGOICJQNHCGAX-CYBMUJFWSA-N 1 3 349.862 2.634 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001036829326 1284168614 /nfs/dbraw/zinc/16/86/14/1284168614.db2.gz CMOINTIBPZRZFF-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001036829326 1284168619 /nfs/dbraw/zinc/16/86/19/1284168619.db2.gz CMOINTIBPZRZFF-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001132743157 1284216380 /nfs/dbraw/zinc/21/63/80/1284216380.db2.gz WXOXPHCSJIRYGG-NVXWUHKLSA-N 1 3 335.467 2.715 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001132743157 1284216387 /nfs/dbraw/zinc/21/63/87/1284216387.db2.gz WXOXPHCSJIRYGG-NVXWUHKLSA-N 1 3 335.467 2.715 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000715545662 1284233125 /nfs/dbraw/zinc/23/31/25/1284233125.db2.gz ZZNCHXXLOPJQHT-OAGGEKHMSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000715545662 1284233140 /nfs/dbraw/zinc/23/31/40/1284233140.db2.gz ZZNCHXXLOPJQHT-OAGGEKHMSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1CN(C[C@@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000828564662 1284273603 /nfs/dbraw/zinc/27/36/03/1284273603.db2.gz UXVZKYVMCYXOHQ-RBSFLKMASA-N 1 3 334.335 2.528 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795487 1284308563 /nfs/dbraw/zinc/30/85/63/1284308563.db2.gz RYORTBKBIJOTFB-QGZVFWFLSA-N 1 3 335.517 2.751 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795487 1284308571 /nfs/dbraw/zinc/30/85/71/1284308571.db2.gz RYORTBKBIJOTFB-QGZVFWFLSA-N 1 3 335.517 2.751 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132830171 1284357120 /nfs/dbraw/zinc/35/71/20/1284357120.db2.gz AQGRSSOMFWHJDZ-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110148040 1284408553 /nfs/dbraw/zinc/40/85/53/1284408553.db2.gz FMJJREMEGKXCNY-AABGKKOBSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCCCCF ZINC001132887805 1284422123 /nfs/dbraw/zinc/42/21/23/1284422123.db2.gz IJBMWIDGJPSZGG-IRXDYDNUSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132888130 1284423452 /nfs/dbraw/zinc/42/34/52/1284423452.db2.gz LEKMKXLRHQZKJW-SJORKVTESA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132889110 1284424639 /nfs/dbraw/zinc/42/46/39/1284424639.db2.gz WRJMSAVHQIPENR-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCCCF ZINC001132892343 1284427534 /nfs/dbraw/zinc/42/75/34/1284427534.db2.gz DPUHEQRBJNSHHV-SJORKVTESA-N 1 3 341.515 2.685 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132936628 1284482613 /nfs/dbraw/zinc/48/26/13/1284482613.db2.gz CNNGNEYNCVCOHC-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001132938305 1284490976 /nfs/dbraw/zinc/49/09/76/1284490976.db2.gz TVCQRKAKRHGAOV-DLBZAZTESA-N 1 3 343.531 2.931 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001132938508 1284491033 /nfs/dbraw/zinc/49/10/33/1284491033.db2.gz VATRFBIPERUDEB-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093824081 1284543592 /nfs/dbraw/zinc/54/35/92/1284543592.db2.gz GDMKUADFUBTATB-LZQZEXGQSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093824538 1284544246 /nfs/dbraw/zinc/54/42/46/1284544246.db2.gz ZWKRWPXCHXJURA-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001093826045 1284545782 /nfs/dbraw/zinc/54/57/82/1284545782.db2.gz ZMFUDXZUMOEHQF-ZHALLVOQSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1)N(C)C ZINC001093839326 1284555871 /nfs/dbraw/zinc/55/58/71/1284555871.db2.gz KCLIFMASCWIAOZ-SUMDDJOVSA-N 1 3 349.494 2.596 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001093839478 1284556281 /nfs/dbraw/zinc/55/62/81/1284556281.db2.gz PWPUJSDGOFUMJA-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1)N(C)C ZINC001093858850 1284574064 /nfs/dbraw/zinc/57/40/64/1284574064.db2.gz KDHIYSHACKTOHJ-ATZDWAIDSA-N 1 3 349.494 2.680 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C)c1 ZINC001093859595 1284575463 /nfs/dbraw/zinc/57/54/63/1284575463.db2.gz WGIZHNYASCKQQI-NSISKUIASA-N 1 3 345.531 2.773 20 0 EFADHO C[C@H](NCCNC(=O)C1(C[NH+](C)C)CC1)c1ccc(F)c(Cl)c1 ZINC001133000716 1284587984 /nfs/dbraw/zinc/58/79/84/1284587984.db2.gz ISXBFPSRICTJRE-LBPRGKRZSA-N 1 3 341.858 2.588 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001094020901 1284714487 /nfs/dbraw/zinc/71/44/87/1284714487.db2.gz KVIVNNXQOLUCTI-MISYRCLQSA-N 1 3 345.531 2.765 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1)N(C)C ZINC001094020702 1284714521 /nfs/dbraw/zinc/71/45/21/1284714521.db2.gz VZMBYQUHAZUDQU-SZVBFZGTSA-N 1 3 349.494 2.596 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001094040996 1284728286 /nfs/dbraw/zinc/72/82/86/1284728286.db2.gz SLQTYJTUDZDKGR-QWFCFKBJSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001094040291 1284729283 /nfs/dbraw/zinc/72/92/83/1284729283.db2.gz FIOOHJLAUKDZIM-QWFCFKBJSA-N 1 3 343.515 2.521 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1)N(C)C ZINC001094049161 1284733517 /nfs/dbraw/zinc/73/35/17/1284733517.db2.gz KDHIYSHACKTOHJ-LZQZEXGQSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094075014 1284759911 /nfs/dbraw/zinc/75/99/11/1284759911.db2.gz VBNWMQLVSHEABM-BRWVUGGUSA-N 1 3 340.471 2.706 20 0 EFADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133120975 1284829063 /nfs/dbraw/zinc/82/90/63/1284829063.db2.gz CSKMEYUEUUUPOB-WMZOPIPTSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001133120890 1284829150 /nfs/dbraw/zinc/82/91/50/1284829150.db2.gz CBRZWFWXSXMYMF-KEMBLGFASA-N 1 3 341.927 2.545 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001133120892 1284829312 /nfs/dbraw/zinc/82/93/12/1284829312.db2.gz CBRZWFWXSXMYMF-YFWHOBGESA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120933 1284830816 /nfs/dbraw/zinc/83/08/16/1284830816.db2.gz CLDHSZKXKSYEOD-ROUUACIJSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]C/C=C\Cl ZINC001133122012 1284831450 /nfs/dbraw/zinc/83/14/50/1284831450.db2.gz NNLQFVHYRQIXCP-AJKQWTFCSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001133121219 1284831758 /nfs/dbraw/zinc/83/17/58/1284831758.db2.gz FGDIUPAVZXHNCQ-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001133122218 1284832635 /nfs/dbraw/zinc/83/26/35/1284832635.db2.gz OZFUVRKOMBQEIO-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001133135336 1284849408 /nfs/dbraw/zinc/84/94/08/1284849408.db2.gz POSUVQIZKWAAAB-WMZOPIPTSA-N 1 3 346.519 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133176675 1284933183 /nfs/dbraw/zinc/93/31/83/1284933183.db2.gz AIJRMPKHOHGFSA-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133176677 1284933719 /nfs/dbraw/zinc/93/37/19/1284933719.db2.gz AIJRMPKHOHGFSA-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133176662 1284934196 /nfs/dbraw/zinc/93/41/96/1284934196.db2.gz AEFUCRXTWRPUQW-MSOLQXFVSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133178072 1284935629 /nfs/dbraw/zinc/93/56/29/1284935629.db2.gz KGKGIFHJRZGYMH-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133178070 1284935825 /nfs/dbraw/zinc/93/58/25/1284935825.db2.gz KGKGIFHJRZGYMH-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCF)C1 ZINC001133186183 1284951812 /nfs/dbraw/zinc/95/18/12/1284951812.db2.gz PMHICQUFKRHIHU-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133190273 1284966185 /nfs/dbraw/zinc/96/61/85/1284966185.db2.gz GARHIJBCXGAMHM-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001094430554 1285072314 /nfs/dbraw/zinc/07/23/14/1285072314.db2.gz QJAWNUURMZHQQE-NLWGTHIKSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001094430554 1285072320 /nfs/dbraw/zinc/07/23/20/1285072320.db2.gz QJAWNUURMZHQQE-NLWGTHIKSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094430230 1285072415 /nfs/dbraw/zinc/07/24/15/1285072415.db2.gz ICADBCYVNRLNRH-QWFCFKBJSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094430230 1285072421 /nfs/dbraw/zinc/07/24/21/1285072421.db2.gz ICADBCYVNRLNRH-QWFCFKBJSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133253595 1285093023 /nfs/dbraw/zinc/09/30/23/1285093023.db2.gz KEZQBKPCXVBKRU-AZUAARDMSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133274090 1285113045 /nfs/dbraw/zinc/11/30/45/1285113045.db2.gz BAUVKULCWFDWOU-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133274158 1285113981 /nfs/dbraw/zinc/11/39/81/1285113981.db2.gz CCABAYXELWAEKQ-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133274026 1285114056 /nfs/dbraw/zinc/11/40/56/1285114056.db2.gz AICDOFAMZDGWCY-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133274497 1285114555 /nfs/dbraw/zinc/11/45/55/1285114555.db2.gz JBBYGPWJZZPUOC-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133274602 1285115377 /nfs/dbraw/zinc/11/53/77/1285115377.db2.gz KZTBNWDGPRDPSM-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133275872 1285115431 /nfs/dbraw/zinc/11/54/31/1285115431.db2.gz XTVJMISFLUSHJX-HKUYNNGSSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133275043 1285115541 /nfs/dbraw/zinc/11/55/41/1285115541.db2.gz OLNCWVKYQHDZSP-SJORKVTESA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133276108 1285115555 /nfs/dbraw/zinc/11/55/55/1285115555.db2.gz ZQKXPKHKOXSQLY-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274701 1285115589 /nfs/dbraw/zinc/11/55/89/1285115589.db2.gz MKGREMFVWWEWSB-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133274619 1285115603 /nfs/dbraw/zinc/11/56/03/1285115603.db2.gz LHEPKJVTKOKZNX-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133346770 1285213535 /nfs/dbraw/zinc/21/35/35/1285213535.db2.gz PBUZNJYFQHRJOE-AZUAARDMSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337774 1285216326 /nfs/dbraw/zinc/21/63/26/1285216326.db2.gz PPBSHKCDASECCZ-APWZRJJASA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C[NH2+]CCCF ZINC001133342028 1285222814 /nfs/dbraw/zinc/22/28/14/1285222814.db2.gz MNKSYXZGHIHNNM-WMZOPIPTSA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133345918 1285228468 /nfs/dbraw/zinc/22/84/68/1285228468.db2.gz IFDMYAVCZUFCPW-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133346130 1285228815 /nfs/dbraw/zinc/22/88/15/1285228815.db2.gz JVOBIPICYFETLZ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133345869 1285229067 /nfs/dbraw/zinc/22/90/67/1285229067.db2.gz HYZZEEJBCHNYSM-SJORKVTESA-N 1 3 329.504 2.541 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]2C)c1 ZINC001133346199 1285229529 /nfs/dbraw/zinc/22/95/29/1285229529.db2.gz KTXUTLZSGVNESU-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133345866 1285230041 /nfs/dbraw/zinc/23/00/41/1285230041.db2.gz HYZZEEJBCHNYSM-DLBZAZTESA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133347423 1285235806 /nfs/dbraw/zinc/23/58/06/1285235806.db2.gz XHKGYIGRGBDXKD-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)cc1 ZINC001094536937 1285270640 /nfs/dbraw/zinc/27/06/40/1285270640.db2.gz BMSNYDZZMVKYRI-UYAOXDASSA-N 1 3 347.478 2.692 20 0 EFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1c[nH+]ccc1N1CCOCC1 ZINC001170682240 1285311433 /nfs/dbraw/zinc/31/14/33/1285311433.db2.gz NQYBPTWHFDYZBE-HNNXBMFYSA-N 1 3 349.438 2.791 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582646 1285352923 /nfs/dbraw/zinc/35/29/23/1285352923.db2.gz UHENPGMRIZKQNV-UYAOXDASSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3CN(C)C)CCC[C@@H]12 ZINC001094582646 1285352935 /nfs/dbraw/zinc/35/29/35/1285352935.db2.gz UHENPGMRIZKQNV-UYAOXDASSA-N 1 3 329.488 2.743 20 0 EFADHO CCC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405571 1285359067 /nfs/dbraw/zinc/35/90/67/1285359067.db2.gz FPCAFDWZOXFSRH-UHFFFAOYSA-N 1 3 334.851 2.634 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001133418977 1285382506 /nfs/dbraw/zinc/38/25/06/1285382506.db2.gz GYZPDQKUTIPKKZ-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)c1 ZINC001036903051 1285384550 /nfs/dbraw/zinc/38/45/50/1285384550.db2.gz UPBQEIGOSLKFDA-PMACEKPBSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CC3)C2)c1 ZINC001036903051 1285384562 /nfs/dbraw/zinc/38/45/62/1285384562.db2.gz UPBQEIGOSLKFDA-PMACEKPBSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001133434468 1285425524 /nfs/dbraw/zinc/42/55/24/1285425524.db2.gz SLHYVTYFSPBCLR-MLGOLLRUSA-N 1 3 343.874 2.832 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001171509010 1285615960 /nfs/dbraw/zinc/61/59/60/1285615960.db2.gz LEAUNQVLUKEWBN-NQAKMWCRSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1)N(C)C ZINC001171509680 1285618104 /nfs/dbraw/zinc/61/81/04/1285618104.db2.gz SIADXVMPDBDWTM-DOTOQJQBSA-N 1 3 339.549 2.895 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001171509946 1285618277 /nfs/dbraw/zinc/61/82/77/1285618277.db2.gz WIPPLEUCVVRWTN-UKRRQHHQSA-N 1 3 333.467 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171585829 1285635588 /nfs/dbraw/zinc/63/55/88/1285635588.db2.gz FJHVTBZALUGPAD-ZDUSSCGKSA-N 1 3 339.446 2.934 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171587819 1285639093 /nfs/dbraw/zinc/63/90/93/1285639093.db2.gz YYLOUQFCYBBHIG-QLFBSQMISA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171587819 1285639105 /nfs/dbraw/zinc/63/91/05/1285639105.db2.gz YYLOUQFCYBBHIG-QLFBSQMISA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](N)C2)C[C@H]1C(C)(C)C ZINC001171592101 1285640045 /nfs/dbraw/zinc/64/00/45/1285640045.db2.gz YYLOUQFCYBBHIG-ZNMIVQPWSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](N)C2)C[C@H]1C(C)(C)C ZINC001171592101 1285640055 /nfs/dbraw/zinc/64/00/55/1285640055.db2.gz YYLOUQFCYBBHIG-ZNMIVQPWSA-N 1 3 325.497 2.834 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001171575296 1285654653 /nfs/dbraw/zinc/65/46/53/1285654653.db2.gz DLQOEHYVOPDXEC-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1cscn1 ZINC001171595778 1285667353 /nfs/dbraw/zinc/66/73/53/1285667353.db2.gz GJVZGJZQMZLDCI-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1cscn1 ZINC001171595778 1285667361 /nfs/dbraw/zinc/66/73/61/1285667361.db2.gz GJVZGJZQMZLDCI-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]C[C@@H]1CCCCO1 ZINC001171596785 1285669442 /nfs/dbraw/zinc/66/94/42/1285669442.db2.gz RHYDCLHIWQZFRQ-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)NC(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171626055 1285690488 /nfs/dbraw/zinc/69/04/88/1285690488.db2.gz USTYQCKLLURFIF-UHFFFAOYSA-N 1 3 338.540 2.810 20 0 EFADHO COc1ccnc(O[C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641176 1285719183 /nfs/dbraw/zinc/71/91/83/1285719183.db2.gz NGWIYUULAARZTF-OAHLLOKOSA-N 1 3 348.491 2.590 20 0 EFADHO COc1ccnc(O[C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641176 1285719185 /nfs/dbraw/zinc/71/91/85/1285719185.db2.gz NGWIYUULAARZTF-OAHLLOKOSA-N 1 3 348.491 2.590 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340474912 1289025830 /nfs/dbraw/zinc/02/58/30/1289025830.db2.gz PYUYDBYPQRXAQT-IEWDOMPSSA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)[C@H](n2cncn2)C1 ZINC000340474912 1289025835 /nfs/dbraw/zinc/02/58/35/1289025835.db2.gz PYUYDBYPQRXAQT-IEWDOMPSSA-N 1 3 333.524 2.965 20 0 EFADHO Cc1cncnc1O[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641668 1285720605 /nfs/dbraw/zinc/72/06/05/1285720605.db2.gz SLZYTRQOQXNBPF-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1cncnc1O[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641668 1285720615 /nfs/dbraw/zinc/72/06/15/1285720615.db2.gz SLZYTRQOQXNBPF-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1nccnc1O[C@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641910 1285720930 /nfs/dbraw/zinc/72/09/30/1285720930.db2.gz VTJOVUTWCOTOAE-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1nccnc1O[C@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641910 1285720937 /nfs/dbraw/zinc/72/09/37/1285720937.db2.gz VTJOVUTWCOTOAE-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001171762449 1285769131 /nfs/dbraw/zinc/76/91/31/1285769131.db2.gz FBQHLWLGCXEIEB-SFHVURJKSA-N 1 3 335.467 2.641 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001171762602 1285769904 /nfs/dbraw/zinc/76/99/04/1285769904.db2.gz HSRYJBPWTPTTPQ-UHFFFAOYSA-N 1 3 333.501 2.839 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001171762459 1285769976 /nfs/dbraw/zinc/76/99/76/1285769976.db2.gz FDIYHJVLODVZLP-MRXNPFEDSA-N 1 3 331.504 2.674 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001171763292 1285770925 /nfs/dbraw/zinc/77/09/25/1285770925.db2.gz XUZOQDQAYZQEDJ-UHFFFAOYSA-N 1 3 333.520 2.922 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CCCOc1c(C)cccc1C ZINC001171770353 1285776561 /nfs/dbraw/zinc/77/65/61/1285776561.db2.gz OILRDXDFRAVTIB-UHFFFAOYSA-N 1 3 349.519 2.510 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccccc1OC1CC1)[NH+](CC)CC ZINC001133690119 1285785554 /nfs/dbraw/zinc/78/55/54/1285785554.db2.gz HYNIPFUNCMNUOM-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871525 1285832723 /nfs/dbraw/zinc/83/27/23/1285832723.db2.gz OVJXBGACPJLLDT-OALUTQOASA-N 1 3 329.488 2.755 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H](N2CCC([NH+]3CCC3)CC2)CC1 ZINC001171905468 1285892783 /nfs/dbraw/zinc/89/27/83/1285892783.db2.gz RVRBIEMGLGXSLR-LJQANCHMSA-N 1 3 341.499 2.851 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086712020 1285926893 /nfs/dbraw/zinc/92/68/93/1285926893.db2.gz LXHCQJUZYDCQDT-IPMKNSEASA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086711877 1285942919 /nfs/dbraw/zinc/94/29/19/1285942919.db2.gz FUCRQTVVRUTQDA-ZCNNSNEGSA-N 1 3 343.515 2.936 20 0 EFADHO CC1(C)C[C@@H](NC[C@@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171977626 1285959862 /nfs/dbraw/zinc/95/98/62/1285959862.db2.gz SIOSUAQMFHJTPZ-ROUUACIJSA-N 1 3 329.488 2.688 20 0 EFADHO CC1(C)C[C@@H](NC[C@@H]2CCCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171977626 1285959864 /nfs/dbraw/zinc/95/98/64/1285959864.db2.gz SIOSUAQMFHJTPZ-ROUUACIJSA-N 1 3 329.488 2.688 20 0 EFADHO CC1(C)C[C@@H](NC[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171977627 1285960189 /nfs/dbraw/zinc/96/01/89/1285960189.db2.gz SIOSUAQMFHJTPZ-ZWKOTPCHSA-N 1 3 329.488 2.688 20 0 EFADHO CC1(C)C[C@@H](NC[C@H]2CCCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171977627 1285960190 /nfs/dbraw/zinc/96/01/90/1285960190.db2.gz SIOSUAQMFHJTPZ-ZWKOTPCHSA-N 1 3 329.488 2.688 20 0 EFADHO CO[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1OC ZINC001171978493 1285962992 /nfs/dbraw/zinc/96/29/92/1285962992.db2.gz YMFAUGISMFEMHI-GBESFXJTSA-N 1 3 332.488 2.775 20 0 EFADHO CO[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1OC ZINC001171978493 1285962998 /nfs/dbraw/zinc/96/29/98/1285962998.db2.gz YMFAUGISMFEMHI-GBESFXJTSA-N 1 3 332.488 2.775 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986337 1285964486 /nfs/dbraw/zinc/96/44/86/1285964486.db2.gz HNEIZSXQLSDIEF-SFHVURJKSA-N 1 3 331.504 2.840 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986337 1285964492 /nfs/dbraw/zinc/96/44/92/1285964492.db2.gz HNEIZSXQLSDIEF-SFHVURJKSA-N 1 3 331.504 2.840 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1=O ZINC001172032801 1285981345 /nfs/dbraw/zinc/98/13/45/1285981345.db2.gz RYMXIERGCFFHTL-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076904 1285995268 /nfs/dbraw/zinc/99/52/68/1285995268.db2.gz AWQZXSCLYLKMBD-PMOLBWCYSA-N 1 3 343.515 2.982 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076904 1285995273 /nfs/dbraw/zinc/99/52/73/1285995273.db2.gz AWQZXSCLYLKMBD-PMOLBWCYSA-N 1 3 343.515 2.982 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001172101593 1285998680 /nfs/dbraw/zinc/99/86/80/1285998680.db2.gz FSPSYGIZRRUPEP-AKHDSKFASA-N 1 3 344.503 2.512 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCN4CC[C@H]4C2)C3)cc1 ZINC001172087767 1286002493 /nfs/dbraw/zinc/00/24/93/1286002493.db2.gz LQRASLIWKMMBOC-JSXRDJHFSA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCN4CC[C@H]4C2)C3)cc1 ZINC001172087767 1286002503 /nfs/dbraw/zinc/00/25/03/1286002503.db2.gz LQRASLIWKMMBOC-JSXRDJHFSA-N 1 3 325.500 2.962 20 0 EFADHO CN(C)C(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061413 1286006211 /nfs/dbraw/zinc/00/62/11/1286006211.db2.gz GZLYWUWZVFWLAM-LDLYASANSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)C(=O)CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061413 1286006219 /nfs/dbraw/zinc/00/62/19/1286006219.db2.gz GZLYWUWZVFWLAM-LDLYASANSA-N 1 3 329.488 2.640 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(Cl)cc1 ZINC001133824080 1286009072 /nfs/dbraw/zinc/00/90/72/1286009072.db2.gz XIWMAUKHUMXZCH-PBHICJAKSA-N 1 3 337.895 2.981 20 0 EFADHO COC(=O)c1ccc(C2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172127191 1286011356 /nfs/dbraw/zinc/01/13/56/1286011356.db2.gz HNKGEMVYXPMMLG-BWTSREIZSA-N 1 3 328.456 2.888 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(CCNC(=O)OC(C)(C)C)C1)C2 ZINC001172126944 1286011647 /nfs/dbraw/zinc/01/16/47/1286011647.db2.gz ZNNYLALNOBODLU-FVQHAEBGSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC(CCNC(=O)OC(C)(C)C)C1)C2 ZINC001172126944 1286011643 /nfs/dbraw/zinc/01/16/43/1286011643.db2.gz ZNNYLALNOBODLU-FVQHAEBGSA-N 1 3 337.508 2.848 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001133850991 1286012494 /nfs/dbraw/zinc/01/24/94/1286012494.db2.gz UHBJFYACAPGHDD-JRMCHAMMSA-N 1 3 347.478 2.618 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129816 1286012455 /nfs/dbraw/zinc/01/24/55/1286012455.db2.gz DGJQYYDGNZYUQY-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129816 1286012459 /nfs/dbraw/zinc/01/24/59/1286012459.db2.gz DGJQYYDGNZYUQY-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129819 1286013143 /nfs/dbraw/zinc/01/31/43/1286013143.db2.gz DGJQYYDGNZYUQY-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129819 1286013148 /nfs/dbraw/zinc/01/31/48/1286013148.db2.gz DGJQYYDGNZYUQY-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172130074 1286014109 /nfs/dbraw/zinc/01/41/09/1286014109.db2.gz GYQHTLGZQSFMKI-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172130074 1286014114 /nfs/dbraw/zinc/01/41/14/1286014114.db2.gz GYQHTLGZQSFMKI-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001172132787 1286015932 /nfs/dbraw/zinc/01/59/32/1286015932.db2.gz NZIRCRYNLAURLF-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001172132787 1286015933 /nfs/dbraw/zinc/01/59/33/1286015933.db2.gz NZIRCRYNLAURLF-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OC3CCOCC3)nc1)C2 ZINC001172104962 1286021119 /nfs/dbraw/zinc/02/11/19/1286021119.db2.gz GVYUSDVCDOWBCL-NNZMDNLPSA-N 1 3 345.487 2.744 20 0 EFADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc(OC)c1OC ZINC001172107492 1286022674 /nfs/dbraw/zinc/02/26/74/1286022674.db2.gz YIMUNOJRWUGBRE-PHZGNYQRSA-N 1 3 334.460 2.817 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172114215 1286025577 /nfs/dbraw/zinc/02/55/77/1286025577.db2.gz PKALMRCLEBVRGK-YYIAUSFCSA-N 1 3 349.519 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172114215 1286025580 /nfs/dbraw/zinc/02/55/80/1286025580.db2.gz PKALMRCLEBVRGK-YYIAUSFCSA-N 1 3 349.519 2.991 20 0 EFADHO COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001172117445 1286026780 /nfs/dbraw/zinc/02/67/80/1286026780.db2.gz LSYSEPJTFXDOAI-KYHPRHEASA-N 1 3 332.444 2.601 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)C2 ZINC001172117295 1286027391 /nfs/dbraw/zinc/02/73/91/1286027391.db2.gz POQAZDMCAAFXEF-IEJRGFGGSA-N 1 3 334.504 2.660 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]31)C2 ZINC001172117295 1286027396 /nfs/dbraw/zinc/02/73/96/1286027396.db2.gz POQAZDMCAAFXEF-IEJRGFGGSA-N 1 3 334.504 2.660 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001172121605 1286030413 /nfs/dbraw/zinc/03/04/13/1286030413.db2.gz LAFRFCNYLGYXRF-WKCHPHFGSA-N 1 3 327.516 2.862 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001172121605 1286030414 /nfs/dbraw/zinc/03/04/14/1286030414.db2.gz LAFRFCNYLGYXRF-WKCHPHFGSA-N 1 3 327.516 2.862 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856547 1286030893 /nfs/dbraw/zinc/03/08/93/1286030893.db2.gz ISZLXYNNRXIWAA-MAUKXSAKSA-N 1 3 329.504 2.587 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001133849641 1286031553 /nfs/dbraw/zinc/03/15/53/1286031553.db2.gz BDHKEIRSTWSUHL-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO O=C1CC[C@H]2C[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)CCN12 ZINC001172154884 1286040956 /nfs/dbraw/zinc/04/09/56/1286040956.db2.gz IXOYKEOHLGGLFH-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO CCc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001165718740 1312670201 /nfs/dbraw/zinc/67/02/01/1312670201.db2.gz PXKCSHVCCYMENB-LJQANCHMSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870912 1286054712 /nfs/dbraw/zinc/05/47/12/1286054712.db2.gz XCISSHQCMYLYGM-QRWLVFNGSA-N 1 3 349.478 2.660 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870912 1286054716 /nfs/dbraw/zinc/05/47/16/1286054716.db2.gz XCISSHQCMYLYGM-QRWLVFNGSA-N 1 3 349.478 2.660 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC001172218694 1286054830 /nfs/dbraw/zinc/05/48/30/1286054830.db2.gz BNCCCRZLXZNGMF-SEJPIABJSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870910 1286054969 /nfs/dbraw/zinc/05/49/69/1286054969.db2.gz XCISSHQCMYLYGM-FOIQADDNSA-N 1 3 349.478 2.660 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870910 1286054972 /nfs/dbraw/zinc/05/49/72/1286054972.db2.gz XCISSHQCMYLYGM-FOIQADDNSA-N 1 3 349.478 2.660 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001133894195 1286071775 /nfs/dbraw/zinc/07/17/75/1286071775.db2.gz WXNLOAREZCIULT-QGZVFWFLSA-N 1 3 349.906 2.765 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001133896674 1286077668 /nfs/dbraw/zinc/07/76/68/1286077668.db2.gz NYLZZRKUGLGVNV-UHFFFAOYSA-N 1 3 343.515 2.892 20 0 EFADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)CC1 ZINC001172250800 1286081994 /nfs/dbraw/zinc/08/19/94/1286081994.db2.gz VUALTAAAWAYFNN-NRFANRHFSA-N 1 3 345.531 2.660 20 0 EFADHO COCCC[NH+]1CCC(NC[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC001172249723 1286082249 /nfs/dbraw/zinc/08/22/49/1286082249.db2.gz NLTUDNNSBXTOFQ-INIZCTEOSA-N 1 3 340.895 2.506 20 0 EFADHO COCCC[NH+]1CCC(N2CCC(O)(Cc3ccccc3)CC2)CC1 ZINC001172251036 1286082302 /nfs/dbraw/zinc/08/23/02/1286082302.db2.gz XREYSNZAXHAEBX-UHFFFAOYSA-N 1 3 346.515 2.557 20 0 EFADHO COCCC[NH+]1CCC(N2CCC3(Cc4ccccc4O3)CC2)CC1 ZINC001172253103 1286084633 /nfs/dbraw/zinc/08/46/33/1286084633.db2.gz CAJVFRHNKCNLBZ-UHFFFAOYSA-N 1 3 344.499 2.957 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001133908498 1286092189 /nfs/dbraw/zinc/09/21/89/1286092189.db2.gz UMCNSQCVMCZOPX-QGZVFWFLSA-N 1 3 337.483 2.961 20 0 EFADHO CCC[NH+](CCC)CCN1CCN([C@@H](C)CCOC(C)C)CC1 ZINC001172454168 1286156282 /nfs/dbraw/zinc/15/62/82/1286156282.db2.gz IUIRHQOBHIAIDG-IBGZPJMESA-N 1 3 327.557 2.930 20 0 EFADHO CCC[NH+](CCC)CCN1CCN([C@H](C)CCOC(C)C)CC1 ZINC001172454169 1286156355 /nfs/dbraw/zinc/15/63/55/1286156355.db2.gz IUIRHQOBHIAIDG-LJQANCHMSA-N 1 3 327.557 2.930 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)CN(C)C ZINC000813877064 1286166045 /nfs/dbraw/zinc/16/60/45/1286166045.db2.gz JWKMQAVJKXHANV-OAGGEKHMSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C)CN(C)C ZINC000813877066 1286166096 /nfs/dbraw/zinc/16/60/96/1286166096.db2.gz JWKMQAVJKXHANV-PMPSAXMXSA-N 1 3 327.513 3.000 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001133967798 1286173803 /nfs/dbraw/zinc/17/38/03/1286173803.db2.gz DLMHQUAAXHWTJJ-ABAIWWIYSA-N 1 3 329.847 2.586 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001172601213 1286197001 /nfs/dbraw/zinc/19/70/01/1286197001.db2.gz DUMXZYAPFVORSJ-AEFFLSMTSA-N 1 3 348.462 2.893 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001172609688 1286203014 /nfs/dbraw/zinc/20/30/14/1286203014.db2.gz RDMXQOGMYLMOOE-QZTJIDSGSA-N 1 3 330.472 2.754 20 0 EFADHO O=C(c1ccc(F)cc1)N1CCC([NH2+]CCCN2CCCC2)CC1 ZINC001172991396 1286388618 /nfs/dbraw/zinc/38/86/18/1286388618.db2.gz RWRYHWWJUCACBP-UHFFFAOYSA-N 1 3 333.451 2.506 20 0 EFADHO C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057076 1286394863 /nfs/dbraw/zinc/39/48/63/1286394863.db2.gz LSNUYAVQSFEGDW-NNXHMXCWSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057076 1286394870 /nfs/dbraw/zinc/39/48/70/1286394870.db2.gz LSNUYAVQSFEGDW-NNXHMXCWSA-N 1 3 337.508 2.989 20 0 EFADHO CC[NH+](CC)C1CCC(N[C@H](CC(=O)OC)c2ccccn2)CC1 ZINC001173107440 1286413930 /nfs/dbraw/zinc/41/39/30/1286413930.db2.gz RLEYIIPLTZMIJI-LEOMRAHMSA-N 1 3 333.476 2.928 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3ncccc3OC)CC2)CC1 ZINC001173113535 1286415199 /nfs/dbraw/zinc/41/51/99/1286415199.db2.gz SRIWKRFRJVUTHE-UHFFFAOYSA-N 1 3 346.519 2.865 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2)N1CCCC1 ZINC001203259476 1289074398 /nfs/dbraw/zinc/07/43/98/1289074398.db2.gz WTNJXOPXRXOFOW-VOTDVEDPSA-N 1 3 339.911 2.630 20 0 EFADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095060093 1286470611 /nfs/dbraw/zinc/47/06/11/1286470611.db2.gz ANGKNOXQHVFJSK-IHPCNDPISA-N 1 3 343.515 2.987 20 0 EFADHO CCc1ccc(C[C@@H](C)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001173243188 1286488123 /nfs/dbraw/zinc/48/81/23/1286488123.db2.gz MLDTUQKLSPXMCM-LJQANCHMSA-N 1 3 329.532 2.893 20 0 EFADHO COC(=O)CCCC[C@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001173456553 1286611360 /nfs/dbraw/zinc/61/13/60/1286611360.db2.gz CNWAUQZWWHJHPF-INIZCTEOSA-N 1 3 340.508 2.684 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccnc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369827 1286641393 /nfs/dbraw/zinc/64/13/93/1286641393.db2.gz SKQLPEZPMPHYBY-IAGOWNOFSA-N 1 3 346.519 2.719 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C3CCC4(C[C@@H]4C(=O)OCC)CC3)C[C@H]2C1 ZINC001173628059 1286720314 /nfs/dbraw/zinc/72/03/14/1286720314.db2.gz RGBDWZDZBHIAPB-JLNOLZKDSA-N 1 3 334.504 2.772 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@H](N2CCC([NH3+])(Cc3ccccn3)CC2)C1 ZINC001173633480 1286728561 /nfs/dbraw/zinc/72/85/61/1286728561.db2.gz LFEHGMVSLMVEAD-WMZOPIPTSA-N 1 3 345.487 2.539 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC001173665008 1286742836 /nfs/dbraw/zinc/74/28/36/1286742836.db2.gz QUPZGGYOAPEETL-IAGOWNOFSA-N 1 3 331.460 2.634 20 0 EFADHO Cc1c[nH+]ccc1N1CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173671535 1286746688 /nfs/dbraw/zinc/74/66/88/1286746688.db2.gz ISSAJMOZATZWDB-UHFFFAOYSA-N 1 3 342.409 2.539 20 0 EFADHO c1nnn([C@H]2CCC[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C2)n1 ZINC001173747594 1286774865 /nfs/dbraw/zinc/77/48/65/1286774865.db2.gz CFNRUIUISBKANZ-OALUTQOASA-N 1 3 346.523 2.791 20 0 EFADHO c1nnn([C@H]2CCC[C@@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C2)n1 ZINC001173755601 1286777740 /nfs/dbraw/zinc/77/77/40/1286777740.db2.gz ZWMRFWAIWPEZNQ-UHOSZYNNSA-N 1 3 344.507 2.567 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001134583532 1286916719 /nfs/dbraw/zinc/91/67/19/1286916719.db2.gz MFHFDPRBURXOQF-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583076 1286916994 /nfs/dbraw/zinc/91/69/94/1286916994.db2.gz FJKOKPBKYNWENW-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001134584780 1286918256 /nfs/dbraw/zinc/91/82/56/1286918256.db2.gz WWNFAYZWZBLTBY-JKSUJKDBSA-N 1 3 346.519 2.556 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001134584505 1286918846 /nfs/dbraw/zinc/91/88/46/1286918846.db2.gz URISDKMFJVPDMC-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001134585104 1286921167 /nfs/dbraw/zinc/92/11/67/1286921167.db2.gz ZULCOGWVLHDDAQ-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001134613683 1286951953 /nfs/dbraw/zinc/95/19/53/1286951953.db2.gz XLGRIHJIDSQXGC-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+][C@H](C)COC ZINC001179838881 1289281900 /nfs/dbraw/zinc/28/19/00/1289281900.db2.gz USMLJFDEOCCPDY-GOSISDBHSA-N 1 3 343.556 2.800 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608523 1286970578 /nfs/dbraw/zinc/97/05/78/1286970578.db2.gz WVKOQKXBVPDKDI-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134608608 1286970876 /nfs/dbraw/zinc/97/08/76/1286970876.db2.gz XPRMTUKDUTWXSO-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608526 1286971408 /nfs/dbraw/zinc/97/14/08/1286971408.db2.gz WVKOQKXBVPDKDI-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170768926 1287110549 /nfs/dbraw/zinc/11/05/49/1287110549.db2.gz AHHYHQZAKSTXSS-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001174682195 1287112206 /nfs/dbraw/zinc/11/22/06/1287112206.db2.gz FQBPEXGOJNRZSB-GFCCVEGCSA-N 1 3 334.851 2.771 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134758995 1287153809 /nfs/dbraw/zinc/15/38/09/1287153809.db2.gz DVZYGKMJECMVCS-LJQANCHMSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001134762783 1287159306 /nfs/dbraw/zinc/15/93/06/1287159306.db2.gz GGONBWUZPUXXMG-KRWDZBQOSA-N 1 3 337.895 2.809 20 0 EFADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763200 1287159472 /nfs/dbraw/zinc/15/94/72/1287159472.db2.gz PKACHPSICALMDH-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO CCc1ccccc1CC[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134765948 1287163762 /nfs/dbraw/zinc/16/37/62/1287163762.db2.gz AWQIDLWLMWGBDA-FQEVSTJZSA-N 1 3 345.531 2.760 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001134772355 1287169571 /nfs/dbraw/zinc/16/95/71/1287169571.db2.gz CILDTIRXGCPUFK-QWHCGFSZSA-N 1 3 333.467 2.635 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001134772896 1287169607 /nfs/dbraw/zinc/16/96/07/1287169607.db2.gz IVYHDAXRDIARBU-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001134773182 1287171010 /nfs/dbraw/zinc/17/10/10/1287171010.db2.gz NDSSNVJSUMDBCV-HOTGVXAUSA-N 1 3 348.535 2.802 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001134773183 1287171986 /nfs/dbraw/zinc/17/19/86/1287171986.db2.gz NDSSNVJSUMDBCV-HZPDHXFCSA-N 1 3 348.535 2.802 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179439668 1289140493 /nfs/dbraw/zinc/14/04/93/1289140493.db2.gz VXECOOPMTOMKSF-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)nc1C ZINC001176277481 1287920114 /nfs/dbraw/zinc/92/01/14/1287920114.db2.gz FTIZHKAKQHWLNS-MRXNPFEDSA-N 1 3 348.535 2.805 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ncc(C)s1 ZINC001176285710 1287923946 /nfs/dbraw/zinc/92/39/46/1287923946.db2.gz PKTZWOGBPBXWDR-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1nc2ccccc2o1 ZINC001135308180 1287924364 /nfs/dbraw/zinc/92/43/64/1287924364.db2.gz OZJLCTFJBRJNPM-GJZGRUSLSA-N 1 3 346.475 2.543 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176351605 1287961208 /nfs/dbraw/zinc/96/12/08/1287961208.db2.gz VQXJOKFEWGYRRX-HNNXBMFYSA-N 1 3 328.460 2.725 20 0 EFADHO C[C@@H](C[C@H](C)NC(=O)CC[NH+](C)C)NCc1nsc2ccccc12 ZINC001135373210 1287980195 /nfs/dbraw/zinc/98/01/95/1287980195.db2.gz VNOJBLHCIOSTBB-KBPBESRZSA-N 1 3 348.516 2.621 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CCC(C)(C)C1 ZINC001135466829 1288031422 /nfs/dbraw/zinc/03/14/22/1288031422.db2.gz AMRAAODMFASSNI-JKSUJKDBSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566134 1288041318 /nfs/dbraw/zinc/04/13/18/1288041318.db2.gz YPUOMZBKAFMDGS-JLLHCWJZSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566134 1288041325 /nfs/dbraw/zinc/04/13/25/1288041325.db2.gz YPUOMZBKAFMDGS-JLLHCWJZSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]CCCCCF ZINC001135475879 1288046981 /nfs/dbraw/zinc/04/69/81/1288046981.db2.gz GNWMZVDZVQXXMX-CVEARBPZSA-N 1 3 329.504 2.731 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001135523257 1288060580 /nfs/dbraw/zinc/06/05/80/1288060580.db2.gz DGFQMNIOJHDFSF-INIZCTEOSA-N 1 3 327.472 2.948 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN(CC)CC)c1ccc(Cl)cc1 ZINC001135513240 1288069485 /nfs/dbraw/zinc/06/94/85/1288069485.db2.gz ISRITDBIKXKLRB-MRXNPFEDSA-N 1 3 325.884 2.839 20 0 EFADHO Cc1ncc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001176754128 1288119854 /nfs/dbraw/zinc/11/98/54/1288119854.db2.gz RGKHPHQZCUURCF-AWEZNQCLSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001176754358 1288119956 /nfs/dbraw/zinc/11/99/56/1288119956.db2.gz TZHQQTIWYOGFCP-CYBMUJFWSA-N 1 3 338.323 2.910 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176753774 1288120136 /nfs/dbraw/zinc/12/01/36/1288120136.db2.gz MULGDCSMRBSPAG-INIZCTEOSA-N 1 3 337.483 2.931 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176760432 1288122625 /nfs/dbraw/zinc/12/26/25/1288122625.db2.gz WMLOCGKMJPFWAK-PKOBYXMFSA-N 1 3 346.519 2.721 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176760260 1288123016 /nfs/dbraw/zinc/12/30/16/1288123016.db2.gz SBMGVCBVSRIIII-PKOBYXMFSA-N 1 3 346.519 2.721 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)c1 ZINC001176889753 1288164041 /nfs/dbraw/zinc/16/40/41/1288164041.db2.gz BMFXJRSXDGPTEJ-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]Cc2ccc(F)cc2)c1 ZINC001176890275 1288164184 /nfs/dbraw/zinc/16/41/84/1288164184.db2.gz PGNHUYRYYUPXAZ-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN(C)C(C)C)c1ccc(F)cc1F ZINC001176975883 1288202582 /nfs/dbraw/zinc/20/25/82/1288202582.db2.gz YXPTWTJPNDQVLH-KRWDZBQOSA-N 1 3 341.446 2.852 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001176986790 1288207935 /nfs/dbraw/zinc/20/79/35/1288207935.db2.gz VUBHYPLONCDZFC-KRWDZBQOSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001176986289 1288208070 /nfs/dbraw/zinc/20/80/70/1288208070.db2.gz JPGJNYSOCJLQEB-FQEVSTJZSA-N 1 3 345.531 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccsc1 ZINC001176986154 1288208434 /nfs/dbraw/zinc/20/84/34/1288208434.db2.gz GHSCTGRWTSLSSW-KRWDZBQOSA-N 1 3 337.533 2.651 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001176986197 1288208511 /nfs/dbraw/zinc/20/85/11/1288208511.db2.gz HIWILNLOQQIGOJ-IBGZPJMESA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001176992308 1288218277 /nfs/dbraw/zinc/21/82/77/1288218277.db2.gz LUNVPXGETYNTBC-APWZRJJASA-N 1 3 347.503 2.727 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001176992509 1288218867 /nfs/dbraw/zinc/21/88/67/1288218867.db2.gz RSCUAGMOHWTZBP-MAUKXSAKSA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCOC ZINC001135691757 1288269578 /nfs/dbraw/zinc/26/95/78/1288269578.db2.gz ZIAMFIDVQHRPJY-ZWKOTPCHSA-N 1 3 343.556 2.798 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135706017 1288290755 /nfs/dbraw/zinc/29/07/55/1288290755.db2.gz NHQQTCCTVCBKNI-UONOGXRCSA-N 1 3 325.522 2.771 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135706586 1288291173 /nfs/dbraw/zinc/29/11/73/1288291173.db2.gz WTGKKBVFUHQYAI-JKSUJKDBSA-N 1 3 344.503 2.883 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(CC)CC)c1 ZINC001135743183 1288322820 /nfs/dbraw/zinc/32/28/20/1288322820.db2.gz GJFPIIJPLOZISC-DLBZAZTESA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135743177 1288323545 /nfs/dbraw/zinc/32/35/45/1288323545.db2.gz GGDOWZMDBPPCCD-QXBCROFQSA-N 1 3 331.504 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135743522 1288324542 /nfs/dbraw/zinc/32/45/42/1288324542.db2.gz LRQBOXHPVRFRQE-JKSUJKDBSA-N 1 3 337.483 2.871 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135743835 1288325242 /nfs/dbraw/zinc/32/52/42/1288325242.db2.gz QIRWICSREUJRTO-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499519 1289171629 /nfs/dbraw/zinc/17/16/29/1289171629.db2.gz UAAZTVLGHVKBGT-LJQANCHMSA-N 1 3 348.535 2.742 20 0 EFADHO CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177408601 1288420234 /nfs/dbraw/zinc/42/02/34/1288420234.db2.gz GASOFHXTKJFHCE-GOSISDBHSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177415988 1288424358 /nfs/dbraw/zinc/42/43/58/1288424358.db2.gz QNKZECQWVCIVHE-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177485248 1288445822 /nfs/dbraw/zinc/44/58/22/1288445822.db2.gz UHNIXNDGFGHNAE-CALCHBBNSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)NC/C(Cl)=C\Cl ZINC001135965804 1288689197 /nfs/dbraw/zinc/68/91/97/1288689197.db2.gz FUAHWVSIKXTEBT-BEFZUUHMSA-N 1 3 338.323 2.910 20 0 EFADHO Cc1cnc(CN[C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)s1 ZINC001135966179 1288689552 /nfs/dbraw/zinc/68/95/52/1288689552.db2.gz KGJZTVGIHHMYNY-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135979558 1288703981 /nfs/dbraw/zinc/70/39/81/1288703981.db2.gz HIMVAPOUDCDGKY-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135979557 1288704464 /nfs/dbraw/zinc/70/44/64/1288704464.db2.gz HIMVAPOUDCDGKY-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001135979141 1288704490 /nfs/dbraw/zinc/70/44/90/1288704490.db2.gz COAFUTLYOARIGV-MSOLQXFVSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1ccc(C)cc1 ZINC001135979487 1288704540 /nfs/dbraw/zinc/70/45/40/1288704540.db2.gz GUXOJZLAQBOVGK-MSOLQXFVSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135980601 1288705449 /nfs/dbraw/zinc/70/54/49/1288705449.db2.gz QHYJYXFTLQEKJC-ZIAGYGMSSA-N 1 3 325.522 2.771 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135981214 1288706286 /nfs/dbraw/zinc/70/62/86/1288706286.db2.gz ZPMSKLUUXQHUEY-MSOLQXFVSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135981102 1288706512 /nfs/dbraw/zinc/70/65/12/1288706512.db2.gz XZXWAEMSVFGUTF-DLBZAZTESA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135981216 1288706871 /nfs/dbraw/zinc/70/68/71/1288706871.db2.gz ZPMSKLUUXQHUEY-ROUUACIJSA-N 1 3 349.519 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1F)C1CC1 ZINC001178698164 1288875536 /nfs/dbraw/zinc/87/55/36/1288875536.db2.gz AFGSJPNFMLCDBQ-LJQANCHMSA-N 1 3 349.494 2.932 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)C1CC1 ZINC001178698224 1288875886 /nfs/dbraw/zinc/87/58/86/1288875886.db2.gz CBZNVLONWHNZEI-HXUWFJFHSA-N 1 3 345.531 2.836 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001178698542 1288876917 /nfs/dbraw/zinc/87/69/17/1288876917.db2.gz KUNYBGARCUOULI-LJQANCHMSA-N 1 3 349.494 2.932 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251860 1312680762 /nfs/dbraw/zinc/68/07/62/1312680762.db2.gz YFDNFPIJCGBDBL-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251860 1312680766 /nfs/dbraw/zinc/68/07/66/1312680766.db2.gz YFDNFPIJCGBDBL-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255197 1312681798 /nfs/dbraw/zinc/68/17/98/1312681798.db2.gz LQCPELKAOLSAOD-IEBWSBKVSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255197 1312681801 /nfs/dbraw/zinc/68/18/01/1312681801.db2.gz LQCPELKAOLSAOD-IEBWSBKVSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255203 1312682097 /nfs/dbraw/zinc/68/20/97/1312682097.db2.gz LQCPELKAOLSAOD-MJGOQNOKSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255203 1312682098 /nfs/dbraw/zinc/68/20/98/1312682098.db2.gz LQCPELKAOLSAOD-MJGOQNOKSA-N 1 3 343.515 2.626 20 0 EFADHO COc1cc(C)c(CN2CCC(COCC[NH+]3CCCC3)CC2)cn1 ZINC001232349084 1312682266 /nfs/dbraw/zinc/68/22/66/1312682266.db2.gz VAOOGDSBPRVWTD-UHFFFAOYSA-N 1 3 347.503 2.723 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001178815751 1288945104 /nfs/dbraw/zinc/94/51/04/1288945104.db2.gz MCEVAFPCOZGMIB-OAHLLOKOSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCCN2C(C)C)ccc1OCC[NH+](C)C ZINC000822463947 1288999783 /nfs/dbraw/zinc/99/97/83/1288999783.db2.gz QHLKFYINJYYUJW-KRWDZBQOSA-N 1 3 333.476 2.747 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C\c3ccccc3)[C@@H]2C)C1 ZINC001179539163 1289183123 /nfs/dbraw/zinc/18/31/23/1289183123.db2.gz PZDDPSATEQGYPH-LOGWINENSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550492 1289186768 /nfs/dbraw/zinc/18/67/68/1289186768.db2.gz XXGSZVKZTNUKNJ-HOCLYGCPSA-N 1 3 337.533 2.805 20 0 EFADHO CC(C)OCC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592755 1289192583 /nfs/dbraw/zinc/19/25/83/1289192583.db2.gz LXSCLVTXMKQDDF-UHFFFAOYSA-N 1 3 343.556 2.656 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001179609018 1289198142 /nfs/dbraw/zinc/19/81/42/1289198142.db2.gz BWVXHJOKRQNAHF-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001179609360 1289198341 /nfs/dbraw/zinc/19/83/41/1289198341.db2.gz PSIPBPUDQLLUGQ-IBGZPJMESA-N 1 3 349.519 2.802 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001179608953 1289198388 /nfs/dbraw/zinc/19/83/88/1289198388.db2.gz ALSZMYLIIQVHLQ-HNNXBMFYSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001179580872 1289201909 /nfs/dbraw/zinc/20/19/09/1289201909.db2.gz UGSZKCLLTKDZKJ-HNNXBMFYSA-N 1 3 345.478 2.782 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccccc2F)C1 ZINC001179585778 1289203952 /nfs/dbraw/zinc/20/39/52/1289203952.db2.gz LFCQRNCTJJDWEH-KRWDZBQOSA-N 1 3 349.494 2.934 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779293 1289254505 /nfs/dbraw/zinc/25/45/05/1289254505.db2.gz IOTREEJZLVJDJU-QYZOEREBSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@@H]1C ZINC001179744484 1289255296 /nfs/dbraw/zinc/25/52/96/1289255296.db2.gz SNQXVKIMBIDQSU-JVPBZIDWSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001179745764 1289256760 /nfs/dbraw/zinc/25/67/60/1289256760.db2.gz GRFRNIXDUTZKIC-KRWDZBQOSA-N 1 3 329.504 2.875 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001179763631 1289262203 /nfs/dbraw/zinc/26/22/03/1289262203.db2.gz NPLVERKESXYUEE-YJBOKZPZSA-N 1 3 335.467 2.577 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001179763305 1289262328 /nfs/dbraw/zinc/26/23/28/1289262328.db2.gz GEDRUJZUOMPSRX-YJBOKZPZSA-N 1 3 342.487 2.589 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001179763326 1289262471 /nfs/dbraw/zinc/26/24/71/1289262471.db2.gz HLKDAQPCXDUMEH-JXFKEZNVSA-N 1 3 343.515 2.596 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H]1C ZINC001179763636 1289262677 /nfs/dbraw/zinc/26/26/77/1289262677.db2.gz NSFFSJPRAQXARY-LNLFQRSKSA-N 1 3 331.504 2.977 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN(CC)CC)[C@H]2C)cc1 ZINC001179766065 1289264361 /nfs/dbraw/zinc/26/43/61/1289264361.db2.gz MXZQJLKFIZQUOS-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001179857181 1289286679 /nfs/dbraw/zinc/28/66/79/1289286679.db2.gz WOJLXXYSOMCZKW-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001179857181 1289286685 /nfs/dbraw/zinc/28/66/85/1289286685.db2.gz WOJLXXYSOMCZKW-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CCSc1ccccc1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000903450440 1312697634 /nfs/dbraw/zinc/69/76/34/1312697634.db2.gz VQCFPMJGHPVKJH-INIZCTEOSA-N 1 3 335.517 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@@H]1C ZINC001179982928 1289350603 /nfs/dbraw/zinc/35/06/03/1289350603.db2.gz HYPDGSIDVRBOPY-ZOCIIQOWSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)[C@@H]1C ZINC001179986938 1289353493 /nfs/dbraw/zinc/35/34/93/1289353493.db2.gz HWQIFFSNLWKLDU-SNRMKQJTSA-N 1 3 329.488 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1C ZINC001179986679 1289354154 /nfs/dbraw/zinc/35/41/54/1289354154.db2.gz DCFMZTMVBNQMFK-LPHOPBHVSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCc1cccs1 ZINC001180123200 1289426214 /nfs/dbraw/zinc/42/62/14/1289426214.db2.gz AKZJRNOLAGKQQB-UHFFFAOYSA-N 1 3 339.549 2.899 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001180123261 1289426315 /nfs/dbraw/zinc/42/63/15/1289426315.db2.gz DDCWKXRSISNCSQ-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001180158296 1289437186 /nfs/dbraw/zinc/43/71/86/1289437186.db2.gz IHWKNOAPSSXTHU-KURKYZTESA-N 1 3 346.519 2.963 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204445 1289442521 /nfs/dbraw/zinc/44/25/21/1289442521.db2.gz SDHZZUNRWBMTFW-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204621 1289442693 /nfs/dbraw/zinc/44/26/93/1289442693.db2.gz VZUZKIDWZSMCIH-WBAXXEDZSA-N 1 3 335.467 2.689 20 0 EFADHO CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204620 1289442999 /nfs/dbraw/zinc/44/29/99/1289442999.db2.gz VZUZKIDWZSMCIH-QGTPRVQTSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180211332 1289446297 /nfs/dbraw/zinc/44/62/97/1289446297.db2.gz DWSWZHMAQKYOOR-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001180222495 1289449669 /nfs/dbraw/zinc/44/96/69/1289449669.db2.gz PBQFJWSMJBJMRM-FMISOVINSA-N 1 3 329.488 2.619 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]1C ZINC001180226591 1289451290 /nfs/dbraw/zinc/45/12/90/1289451290.db2.gz CABGSYDFBODSER-ZYSHUDEJSA-N 1 3 329.488 2.593 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C ZINC001180226719 1289451592 /nfs/dbraw/zinc/45/15/92/1289451592.db2.gz IPSCJPOAKDJYAX-RDJZCZTQSA-N 1 3 337.533 2.600 20 0 EFADHO CN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)C1 ZINC000823840822 1289466581 /nfs/dbraw/zinc/46/65/81/1289466581.db2.gz BNRDQWKPGQNGPV-KRWDZBQOSA-N 1 3 341.455 2.803 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CCCN(C)CC2)c1 ZINC000903457910 1312712252 /nfs/dbraw/zinc/71/22/52/1312712252.db2.gz JJSBHPFTAIUHFJ-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001180389160 1289507636 /nfs/dbraw/zinc/50/76/36/1289507636.db2.gz GGHKVISSYJGNKP-VQTJNVASSA-N 1 3 343.515 2.699 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001180389160 1289507642 /nfs/dbraw/zinc/50/76/42/1289507642.db2.gz GGHKVISSYJGNKP-VQTJNVASSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903459694 1312714595 /nfs/dbraw/zinc/71/45/95/1312714595.db2.gz WXQWSVGZIWOCRH-IBGZPJMESA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)Cc1ccccc1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000903459694 1312714599 /nfs/dbraw/zinc/71/45/99/1312714599.db2.gz WXQWSVGZIWOCRH-IBGZPJMESA-N 1 3 327.476 2.772 20 0 EFADHO O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000873081139 1289558222 /nfs/dbraw/zinc/55/82/22/1289558222.db2.gz ZHQXLLCUUJZMAZ-PMACEKPBSA-N 1 3 325.456 2.702 20 0 EFADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@H](C)N3CCCC3)CC2)CC1 ZINC001180578549 1289560073 /nfs/dbraw/zinc/56/00/73/1289560073.db2.gz JBDFHBHBBFMGFH-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cccc3ncccc23)ccn1 ZINC000873097599 1289567809 /nfs/dbraw/zinc/56/78/09/1289567809.db2.gz SPFVCZAAXQUAKV-UHFFFAOYSA-N 1 3 336.439 2.860 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001166010962 1312717766 /nfs/dbraw/zinc/71/77/66/1312717766.db2.gz XXPRPECZWWUCTA-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166011193 1312717873 /nfs/dbraw/zinc/71/78/73/1312717873.db2.gz ZFDXDSVLYYAQEL-LJQANCHMSA-N 1 3 333.520 2.610 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001166010618 1312718047 /nfs/dbraw/zinc/71/80/47/1312718047.db2.gz QNODAWPFJGJVAB-QGZVFWFLSA-N 1 3 339.911 2.565 20 0 EFADHO C[C@@H](C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)N1CCCC1 ZINC001180585727 1289577834 /nfs/dbraw/zinc/57/78/34/1289577834.db2.gz MUAMPDJFBDCGGM-SZMVWBNQSA-N 1 3 347.478 2.909 20 0 EFADHO CN(CC(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC001180629522 1289587529 /nfs/dbraw/zinc/58/75/29/1289587529.db2.gz XXDFPFGBIPSCEY-UHFFFAOYSA-N 1 3 345.487 2.974 20 0 EFADHO Nc1ccc(F)cc1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001232507895 1312721186 /nfs/dbraw/zinc/72/11/86/1312721186.db2.gz QNZGWINULXOFFG-UHFFFAOYSA-N 1 3 335.467 2.732 20 0 EFADHO CC(C)CC(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873211047 1289647091 /nfs/dbraw/zinc/64/70/91/1289647091.db2.gz IBFFQXUFEATMDD-UHFFFAOYSA-N 1 3 335.517 2.521 20 0 EFADHO Cc1cccc2nc(CC[NH2+]Cc3cc4c(s3)CCNC4)cn21 ZINC000873214020 1289648002 /nfs/dbraw/zinc/64/80/02/1289648002.db2.gz UZGLHBUXGDRKCN-UHFFFAOYSA-N 1 3 326.469 2.682 20 0 EFADHO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cc3c(s2)CCNC3)CC1 ZINC000873213812 1289648710 /nfs/dbraw/zinc/64/87/10/1289648710.db2.gz QIWXFWPRHVVLME-UHFFFAOYSA-N 1 3 335.517 2.521 20 0 EFADHO CN(C)c1ncc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873231998 1289666497 /nfs/dbraw/zinc/66/64/97/1289666497.db2.gz ISLPGFMQLYDVPP-QAPCUYQASA-N 1 3 331.508 2.662 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001016333264 1312725416 /nfs/dbraw/zinc/72/54/16/1312725416.db2.gz VCVAVTBGFUKHJJ-GXOAENINSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001016333264 1312725419 /nfs/dbraw/zinc/72/54/19/1312725419.db2.gz VCVAVTBGFUKHJJ-GXOAENINSA-N 1 3 329.488 2.598 20 0 EFADHO COc1ccc(OC)c([C@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873289915 1289704793 /nfs/dbraw/zinc/70/47/93/1289704793.db2.gz MHABXTKEOFYSRR-GOEBONIOSA-N 1 3 334.460 2.513 20 0 EFADHO COC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873291146 1289705667 /nfs/dbraw/zinc/70/56/67/1289705667.db2.gz DPTMGJLCVTWWCS-IRXDYDNUSA-N 1 3 338.879 2.776 20 0 EFADHO Fc1ccc2c(c1)[C@@H](NC[C@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292931 1289706983 /nfs/dbraw/zinc/70/69/83/1289706983.db2.gz WNOHZNJXEZIVCS-WBVHZDCISA-N 1 3 334.435 2.788 20 0 EFADHO COc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1-n1cnc(C)c1 ZINC001232564433 1312734604 /nfs/dbraw/zinc/73/46/04/1312734604.db2.gz JDTXRTZQEWZZSN-HXUWFJFHSA-N 1 3 340.471 2.717 20 0 EFADHO COc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)ccc1-n1cnc(C)c1 ZINC001232564433 1312734607 /nfs/dbraw/zinc/73/46/07/1312734607.db2.gz JDTXRTZQEWZZSN-HXUWFJFHSA-N 1 3 340.471 2.717 20 0 EFADHO COc1cc(C[NH+]2CCC3(CN(C)C3)CC2)ccc1-n1cnc(C)c1 ZINC001232565793 1312734880 /nfs/dbraw/zinc/73/48/80/1312734880.db2.gz ZKBDFHZNKSPWLY-UHFFFAOYSA-N 1 3 340.471 2.717 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001181672592 1289899040 /nfs/dbraw/zinc/89/90/40/1289899040.db2.gz XYONAMUXYCKOML-RXKINRLTSA-N 1 3 341.927 2.688 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181745624 1289927001 /nfs/dbraw/zinc/92/70/01/1289927001.db2.gz IOYBNYWOLGTVJB-RXOIRPBWSA-N 1 3 335.536 2.901 20 0 EFADHO CC1CC(C[NH2+]C[C@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1 ZINC001181736618 1289938272 /nfs/dbraw/zinc/93/82/72/1289938272.db2.gz QRHMNNDISNLEQC-VPWFFCTISA-N 1 3 335.536 2.591 20 0 EFADHO C[NH+]1CCC(CN2C[C@H]3CC[C@@H](C2)N3CCCC(F)(F)F)CC1 ZINC001276695385 1314443131 /nfs/dbraw/zinc/44/31/31/1314443131.db2.gz BCWSNTPKSPBXPJ-IYBDPMFKSA-N 1 3 333.442 2.819 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001181941708 1290006689 /nfs/dbraw/zinc/00/66/89/1290006689.db2.gz MADUTEMDNJJVTB-YSSGOKQJSA-N 1 3 329.916 2.543 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@H](C)F)C1 ZINC001181941259 1290007763 /nfs/dbraw/zinc/00/77/63/1290007763.db2.gz DKGHPLRJGYOZSM-RVKKMQEKSA-N 1 3 329.504 2.539 20 0 EFADHO C[C@@H](F)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623735 1290227422 /nfs/dbraw/zinc/22/74/22/1290227422.db2.gz UUVBOUNVZDNQSW-GPMSIDNRSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@@H](F)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623682 1290227645 /nfs/dbraw/zinc/22/76/45/1290227645.db2.gz RASSQOPDTGNZNE-GPMSIDNRSA-N 1 3 341.515 2.541 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CC2)c1 ZINC001037119787 1290228288 /nfs/dbraw/zinc/22/82/88/1290228288.db2.gz FCYLUWSZMOKHTR-OALUTQOASA-N 1 3 329.488 2.646 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001182637990 1290230750 /nfs/dbraw/zinc/23/07/50/1290230750.db2.gz VAGICYFXFNNVKP-SLYNCCJLSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+]CCC1CCCC1 ZINC001182749994 1290243701 /nfs/dbraw/zinc/24/37/01/1290243701.db2.gz FNGPWXVJRDQENA-DNVCBOLYSA-N 1 3 332.492 2.607 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001182807670 1290256608 /nfs/dbraw/zinc/25/66/08/1290256608.db2.gz XWAXJGMIYGRCMQ-ZHALLVOQSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001182807641 1290257021 /nfs/dbraw/zinc/25/70/21/1290257021.db2.gz WOMRBLABNXYQLP-FUHIMQAGSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001037129864 1290325441 /nfs/dbraw/zinc/32/54/41/1290325441.db2.gz FMAHZUJLSHXRNB-MSOLQXFVSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001037129865 1290325630 /nfs/dbraw/zinc/32/56/30/1290325630.db2.gz FMAHZUJLSHXRNB-QZTJIDSGSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001183365308 1290333126 /nfs/dbraw/zinc/33/31/26/1290333126.db2.gz FHWPADOANBXPER-RBUKOAKNSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001183365308 1290333137 /nfs/dbraw/zinc/33/31/37/1290333137.db2.gz FHWPADOANBXPER-RBUKOAKNSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183516932 1290353092 /nfs/dbraw/zinc/35/30/92/1290353092.db2.gz GMEOEHOWXLLXID-IEBWSBKVSA-N 1 3 325.541 2.837 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001183516922 1290353921 /nfs/dbraw/zinc/35/39/21/1290353921.db2.gz FRALOVVPGQRQDV-VTDUSLESSA-N 1 3 341.927 2.688 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001183738239 1290389925 /nfs/dbraw/zinc/38/99/25/1290389925.db2.gz LDVLTYVOQFSIRI-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO Clc1sccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505657 1312783758 /nfs/dbraw/zinc/78/37/58/1312783758.db2.gz GSIKGNTUXPNPLI-GASCZTMLSA-N 1 3 325.909 2.802 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578873 1290477279 /nfs/dbraw/zinc/47/72/79/1290477279.db2.gz ZLIVAOZBSMBHED-ZBKUBXTQSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1nc(C(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506732 1312786078 /nfs/dbraw/zinc/78/60/78/1312786078.db2.gz XRTHKFZZAXIFKA-BGYRXZFFSA-N 1 3 342.531 2.914 20 0 EFADHO Cc1nc(C(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506732 1312786082 /nfs/dbraw/zinc/78/60/82/1312786082.db2.gz XRTHKFZZAXIFKA-BGYRXZFFSA-N 1 3 342.531 2.914 20 0 EFADHO Cc1nc(C(C)C)ccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506732 1312786085 /nfs/dbraw/zinc/78/60/85/1312786085.db2.gz XRTHKFZZAXIFKA-BGYRXZFFSA-N 1 3 342.531 2.914 20 0 EFADHO CC(C)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510939 1312792326 /nfs/dbraw/zinc/79/23/26/1312792326.db2.gz VFSGZGJTQJHDKZ-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO CC(C)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903510939 1312792331 /nfs/dbraw/zinc/79/23/31/1312792331.db2.gz VFSGZGJTQJHDKZ-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO CC(C)Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903510939 1312792334 /nfs/dbraw/zinc/79/23/34/1312792334.db2.gz VFSGZGJTQJHDKZ-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185171503 1290609751 /nfs/dbraw/zinc/60/97/51/1290609751.db2.gz WSLADYITORKDSE-AEFFLSMTSA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185361226 1290651104 /nfs/dbraw/zinc/65/11/04/1290651104.db2.gz WPUVQMBVOMSSNC-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001185361133 1290651519 /nfs/dbraw/zinc/65/15/19/1290651519.db2.gz UYQRQADWJDOYKH-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185361142 1290652182 /nfs/dbraw/zinc/65/21/82/1290652182.db2.gz VDVMJUUQAJUXLO-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001185338165 1290655918 /nfs/dbraw/zinc/65/59/18/1290655918.db2.gz PQIQFMWPGODVSW-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001185551065 1290705601 /nfs/dbraw/zinc/70/56/01/1290705601.db2.gz XKMUTWREBFWAHN-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001185551272 1290705656 /nfs/dbraw/zinc/70/56/56/1290705656.db2.gz YUJXCJFXPCTAEU-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185550189 1290705799 /nfs/dbraw/zinc/70/57/99/1290705799.db2.gz UBFXMRIZBGEVIF-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCCNCc1c(F)cccc1Cl ZINC001166627197 1312806662 /nfs/dbraw/zinc/80/66/62/1312806662.db2.gz RXBHZIQVJHPKCT-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001185536672 1290716247 /nfs/dbraw/zinc/71/62/47/1290716247.db2.gz ODCSEMZHXHXJJU-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001185547201 1290718864 /nfs/dbraw/zinc/71/88/64/1290718864.db2.gz FYYAPELHGNOAGF-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001185547531 1290719338 /nfs/dbraw/zinc/71/93/38/1290719338.db2.gz IISLRMMVLRQIMR-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCCNCc1c(F)cccc1Cl ZINC001166627197 1312806658 /nfs/dbraw/zinc/80/66/58/1312806658.db2.gz RXBHZIQVJHPKCT-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C)o1 ZINC000092426864 1290729371 /nfs/dbraw/zinc/72/93/71/1290729371.db2.gz LNTBWMVNCJGFRF-UHFFFAOYSA-N 1 3 349.519 2.812 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001166626261 1312806089 /nfs/dbraw/zinc/80/60/89/1312806089.db2.gz CWJYVZSQLSOSKO-MAUKXSAKSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(F)c1Cl ZINC001166627659 1312806240 /nfs/dbraw/zinc/80/62/40/1312806240.db2.gz YSSPQCVFRCLPQA-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC001166627011 1312806401 /nfs/dbraw/zinc/80/64/01/1312806401.db2.gz NYYYIADJMYVDFF-KGLIPLIRSA-N 1 3 339.430 2.606 20 0 EFADHO CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185752803 1290763997 /nfs/dbraw/zinc/76/39/97/1290763997.db2.gz UWQIROYWNSLAMS-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001185752809 1290764124 /nfs/dbraw/zinc/76/41/24/1290764124.db2.gz UXIBOAXOSPDCMS-AZUAARDMSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cccc(Cl)c1 ZINC001166634508 1312808515 /nfs/dbraw/zinc/80/85/15/1312808515.db2.gz UZHANSTYCNIDBF-LSDHHAIUSA-N 1 3 337.895 2.981 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166633397 1312808545 /nfs/dbraw/zinc/80/85/45/1312808545.db2.gz FITUIWAQKREIBK-QGZVFWFLSA-N 1 3 331.504 2.890 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001166633916 1312808662 /nfs/dbraw/zinc/80/86/62/1312808662.db2.gz OACYXIHVAPXYDA-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633188 1312808794 /nfs/dbraw/zinc/80/87/94/1312808794.db2.gz BLJHONOKHJRLCB-QGZVFWFLSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001166633155 1312808813 /nfs/dbraw/zinc/80/88/13/1312808813.db2.gz APZLSWOYIZBKOJ-QGZVFWFLSA-N 1 3 339.483 2.920 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(Cl)cc1 ZINC001166645002 1312810055 /nfs/dbraw/zinc/81/00/55/1312810055.db2.gz LMGJBRSKYRVIIX-CABCVRRESA-N 1 3 337.895 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001166627271 1312806704 /nfs/dbraw/zinc/80/67/04/1312806704.db2.gz UKKZWTFYTOPXDU-OHMHXEGESA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001186083189 1290830051 /nfs/dbraw/zinc/83/00/51/1290830051.db2.gz VBFCWEBYHFGXOD-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001166677933 1312816994 /nfs/dbraw/zinc/81/69/94/1312816994.db2.gz QTYGCVLVKTWDHM-CABCVRRESA-N 1 3 337.895 2.839 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC)CC[C@@H]1c1ccc(F)cc1)N(C)C ZINC001186189380 1290888242 /nfs/dbraw/zinc/88/82/42/1290888242.db2.gz OMMKQKSONCINRC-BHIYHBOVSA-N 1 3 349.494 2.708 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC)CC[C@@H]1c1ccc(F)cc1)N(C)C ZINC001186189380 1290888256 /nfs/dbraw/zinc/88/82/56/1290888256.db2.gz OMMKQKSONCINRC-BHIYHBOVSA-N 1 3 349.494 2.708 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001166676638 1312816665 /nfs/dbraw/zinc/81/66/65/1312816665.db2.gz ACUWIMMGOIBQQN-RDTXWAMCSA-N 1 3 349.906 2.765 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001166677559 1312817210 /nfs/dbraw/zinc/81/72/10/1312817210.db2.gz JZSWEMHNONJSRN-KBXCAEBGSA-N 1 3 349.906 2.765 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001166677968 1312817502 /nfs/dbraw/zinc/81/75/02/1312817502.db2.gz RJELJIIVQZEOCI-CQSZACIVSA-N 1 3 339.430 2.562 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC001166677551 1312817534 /nfs/dbraw/zinc/81/75/34/1312817534.db2.gz JXUCQIVQRRLNTQ-DLBZAZTESA-N 1 3 343.515 2.674 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186354472 1290936336 /nfs/dbraw/zinc/93/63/36/1290936336.db2.gz JUDMXDUPXFFBTM-IHPCNDPISA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186354472 1290936340 /nfs/dbraw/zinc/93/63/40/1290936340.db2.gz JUDMXDUPXFFBTM-IHPCNDPISA-N 1 3 343.515 2.697 20 0 EFADHO CCCCCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687230 1312820701 /nfs/dbraw/zinc/82/07/01/1312820701.db2.gz KCGNMGDWCJWNPH-SFHVURJKSA-N 1 3 329.504 2.875 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC001186452444 1290956180 /nfs/dbraw/zinc/95/61/80/1290956180.db2.gz PUJLRWRWMKTFBZ-RHSMWYFYSA-N 1 3 337.895 2.933 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001186604271 1290998462 /nfs/dbraw/zinc/99/84/62/1290998462.db2.gz CIAMLSRQSWBWMX-QGZVFWFLSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001186604271 1290998472 /nfs/dbraw/zinc/99/84/72/1290998472.db2.gz CIAMLSRQSWBWMX-QGZVFWFLSA-N 1 3 341.515 2.638 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000957032009 1291008746 /nfs/dbraw/zinc/00/87/46/1291008746.db2.gz OQJAHFWXCBJGMB-YZGWKJHDSA-N 1 3 347.547 2.687 20 0 EFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]2C1 ZINC001232984219 1312825503 /nfs/dbraw/zinc/82/55/03/1312825503.db2.gz RWKZNRLZGCSCIX-NHCUHLMSSA-N 1 3 344.499 2.733 20 0 EFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C4CC4)cc3)CC[C@@H]2C1 ZINC001232984219 1312825507 /nfs/dbraw/zinc/82/55/07/1312825507.db2.gz RWKZNRLZGCSCIX-NHCUHLMSSA-N 1 3 344.499 2.733 20 0 EFADHO CN1CCC[C@@](C)(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186945734 1291053179 /nfs/dbraw/zinc/05/31/79/1291053179.db2.gz OZVVBFDGJWQABD-HXUWFJFHSA-N 1 3 329.488 2.887 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]CCCN2CCCCC2)CC1 ZINC000876900575 1291064606 /nfs/dbraw/zinc/06/46/06/1291064606.db2.gz LTUXFAJERVPMKN-UHFFFAOYSA-N 1 3 325.497 2.711 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1)CC(C)(C)C ZINC001166744331 1312833506 /nfs/dbraw/zinc/83/35/06/1312833506.db2.gz QXFMHZOPRSEYRR-HNNXBMFYSA-N 1 3 347.494 2.886 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1)CC(C)(C)C ZINC001166744551 1312833592 /nfs/dbraw/zinc/83/35/92/1312833592.db2.gz ZUKDPRVZXKTVSQ-UHFFFAOYSA-N 1 3 344.503 2.742 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000877073389 1291125831 /nfs/dbraw/zinc/12/58/31/1291125831.db2.gz JMBISSVYKLUURP-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001166759787 1312837487 /nfs/dbraw/zinc/83/74/87/1312837487.db2.gz YFBVAGBKBRRMRC-UXBLZVDNSA-N 1 3 329.488 2.528 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001187291130 1291139558 /nfs/dbraw/zinc/13/95/58/1291139558.db2.gz JMIJSDNNSJZCJB-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001166750315 1312834791 /nfs/dbraw/zinc/83/47/91/1312834791.db2.gz CKHDUMBJSQZXRG-UHFFFAOYSA-N 1 3 339.549 2.939 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F)CC(C)(C)C ZINC001166751486 1312834923 /nfs/dbraw/zinc/83/49/23/1312834923.db2.gz SQYAPTVDDRKWKH-GOSISDBHSA-N 1 3 349.494 2.887 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)C[C@H]3NCc4ccccc43)CC2)CC1 ZINC000877192256 1291160888 /nfs/dbraw/zinc/16/08/88/1291160888.db2.gz JGEBPIOQCLEDEZ-GOSISDBHSA-N 1 3 327.472 2.555 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877202014 1291165096 /nfs/dbraw/zinc/16/50/96/1291165096.db2.gz VYRKVPAUKSQJNL-GOSISDBHSA-N 1 3 331.504 2.778 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856833 1291249720 /nfs/dbraw/zinc/24/97/20/1291249720.db2.gz DJZUDDZHFIRCES-VLPTVUGRSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856833 1291249732 /nfs/dbraw/zinc/24/97/32/1291249732.db2.gz DJZUDDZHFIRCES-VLPTVUGRSA-N 1 3 333.520 2.748 20 0 EFADHO C[C@H](CCOCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000877499678 1291250709 /nfs/dbraw/zinc/25/07/09/1291250709.db2.gz SPQBSDQDEDLCPJ-GOSISDBHSA-N 1 3 333.520 2.597 20 0 EFADHO CN(Cc1cccc2ncccc12)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000877526842 1291259747 /nfs/dbraw/zinc/25/97/47/1291259747.db2.gz VPBONKMTVUOPCI-IBGZPJMESA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1cccc2ncccc12)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000877526842 1291259751 /nfs/dbraw/zinc/25/97/51/1291259751.db2.gz VPBONKMTVUOPCI-IBGZPJMESA-N 1 3 338.499 2.835 20 0 EFADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)cc1F ZINC000877684186 1291326072 /nfs/dbraw/zinc/32/60/72/1291326072.db2.gz PQUBIMGFBQIMIM-UHFFFAOYSA-N 1 3 334.435 2.920 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001188158291 1291334609 /nfs/dbraw/zinc/33/46/09/1291334609.db2.gz KGQQSBYPMKMSKT-MSOLQXFVSA-N 1 3 335.467 2.808 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000957324643 1291385984 /nfs/dbraw/zinc/38/59/84/1291385984.db2.gz BIKOUIIEHRROIW-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl)N(C)C ZINC001166852272 1312853709 /nfs/dbraw/zinc/85/37/09/1312853709.db2.gz OCVQGCBLALYNHD-CJNGLKHVSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001166852032 1312854031 /nfs/dbraw/zinc/85/40/31/1312854031.db2.gz KVNXATXWVIWQSH-CJNGLKHVSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CC/C=C\c1cccc(OC)c1)N(C)C ZINC001166852067 1312854036 /nfs/dbraw/zinc/85/40/36/1312854036.db2.gz LHEKSKJIUQCYGR-SMTIMMHKSA-N 1 3 347.503 2.535 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001166857240 1312855051 /nfs/dbraw/zinc/85/50/51/1312855051.db2.gz AAWJEUIFTQRUMM-INIZCTEOSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001166866687 1312856318 /nfs/dbraw/zinc/85/63/18/1312856318.db2.gz QPHMPRUPJTVIIE-KXBFYZLASA-N 1 3 331.504 2.672 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21)N(CC)CC ZINC001189109986 1291571600 /nfs/dbraw/zinc/57/16/00/1291571600.db2.gz ICHLIJTUMPNRBS-OKZBNKHCSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21)N(CC)CC ZINC001189109986 1291571607 /nfs/dbraw/zinc/57/16/07/1291571607.db2.gz ICHLIJTUMPNRBS-OKZBNKHCSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957516745 1291698506 /nfs/dbraw/zinc/69/85/06/1291698506.db2.gz BBMUZFLSFHAJKX-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC2)CC[NH+](CC2CC2)CC3)CCC1 ZINC000957559393 1291765218 /nfs/dbraw/zinc/76/52/18/1291765218.db2.gz HTNZYGJWNBLWTI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559897 1291766719 /nfs/dbraw/zinc/76/67/19/1291766719.db2.gz PLGYTBZAYQIHTA-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560441 1291767507 /nfs/dbraw/zinc/76/75/07/1291767507.db2.gz ZWWSPMBEAUFFPP-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC000957568869 1291781197 /nfs/dbraw/zinc/78/11/97/1291781197.db2.gz RXGPNDSFDUOVEA-GOSISDBHSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)[C@@H](CC)N(C)C)CC2)CC1 ZINC000957568985 1291781407 /nfs/dbraw/zinc/78/14/07/1291781407.db2.gz UIAJOTSUZFMQRF-IAGOWNOFSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2)N(C)C ZINC000957569212 1291781749 /nfs/dbraw/zinc/78/17/49/1291781749.db2.gz ZXOAXWFIFKECMG-ZWIJEDICSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614412 1312882093 /nfs/dbraw/zinc/88/20/93/1312882093.db2.gz OIGMHRYKIOAPKT-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc(C)c1[C@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878886072 1291848245 /nfs/dbraw/zinc/84/82/45/1291848245.db2.gz ZLLDMUMXODPNLJ-GOSISDBHSA-N 1 3 329.488 2.651 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957602798 1291854477 /nfs/dbraw/zinc/85/44/77/1291854477.db2.gz FYUJFAHDPURXAR-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957603280 1291855174 /nfs/dbraw/zinc/85/51/74/1291855174.db2.gz PYBXCNRNKTYEEG-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957603614 1291856133 /nfs/dbraw/zinc/85/61/33/1291856133.db2.gz UYUOHCFFPKAJTC-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO CCC(CC)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167043378 1312887975 /nfs/dbraw/zinc/88/79/75/1312887975.db2.gz BUDZQVVHIFTEGU-QGZVFWFLSA-N 1 3 325.541 2.885 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CC2)CC[NH+](CC2CC2)CC3)CC1 ZINC000957626297 1291911257 /nfs/dbraw/zinc/91/12/57/1291911257.db2.gz KLZDZQWJPBVREK-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114777895 1291914395 /nfs/dbraw/zinc/91/43/95/1291914395.db2.gz APLZNQDSKVDOND-NTDBWNAOSA-N 1 3 349.906 2.789 20 0 EFADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000879051952 1291944106 /nfs/dbraw/zinc/94/41/06/1291944106.db2.gz GVWHLYIQZQGGTP-GOSISDBHSA-N 1 3 347.478 2.604 20 0 EFADHO COCCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000775352756 1292004489 /nfs/dbraw/zinc/00/44/89/1292004489.db2.gz NGMURCBWJVYNNB-NVXWUHKLSA-N 1 3 338.517 2.532 20 0 EFADHO CN(Cc1ccc(F)cc1)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879247968 1292040773 /nfs/dbraw/zinc/04/07/73/1292040773.db2.gz HRTPMZQSATUJMS-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249420 1292043185 /nfs/dbraw/zinc/04/31/85/1292043185.db2.gz PVOQELUPIMWIKD-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249422 1292043292 /nfs/dbraw/zinc/04/32/92/1292043292.db2.gz PVOQELUPIMWIKD-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957689763 1292068285 /nfs/dbraw/zinc/06/82/85/1292068285.db2.gz FBIVKYIKIOIBCC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957689763 1292068295 /nfs/dbraw/zinc/06/82/95/1292068295.db2.gz FBIVKYIKIOIBCC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690826 1292070354 /nfs/dbraw/zinc/07/03/54/1292070354.db2.gz RBWQNOPPKIFNNK-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690826 1292070363 /nfs/dbraw/zinc/07/03/63/1292070363.db2.gz RBWQNOPPKIFNNK-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016652329 1312904446 /nfs/dbraw/zinc/90/44/46/1312904446.db2.gz RODYFGMBCAMGME-DUIXZTDISA-N 1 3 339.911 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016652329 1312904448 /nfs/dbraw/zinc/90/44/48/1312904448.db2.gz RODYFGMBCAMGME-DUIXZTDISA-N 1 3 339.911 2.584 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016652265 1312904472 /nfs/dbraw/zinc/90/44/72/1312904472.db2.gz PXHNKOAYUZWHPC-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF)N1CCCCC1 ZINC001049477472 1312904612 /nfs/dbraw/zinc/90/46/12/1312904612.db2.gz GYEHNNRAAYNASW-IRXDYDNUSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF)N1CCCCC1 ZINC001049477472 1312904616 /nfs/dbraw/zinc/90/46/16/1312904616.db2.gz GYEHNNRAAYNASW-IRXDYDNUSA-N 1 3 339.499 2.676 20 0 EFADHO COc1ccc([C@H]2CN(CCCCn3ccnc3C)CC[NH2+]2)cc1 ZINC000879521654 1292171158 /nfs/dbraw/zinc/17/11/58/1292171158.db2.gz XVTNURAEYYVZMV-LJQANCHMSA-N 1 3 328.460 2.627 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753235 1292192325 /nfs/dbraw/zinc/19/23/25/1292192325.db2.gz DQZIJKJQBHCNPO-ZJRDLVKKSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753235 1292192329 /nfs/dbraw/zinc/19/23/29/1292192329.db2.gz DQZIJKJQBHCNPO-ZJRDLVKKSA-N 1 3 349.563 2.935 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C2)CCC1 ZINC001190644891 1292262018 /nfs/dbraw/zinc/26/20/18/1292262018.db2.gz ODIGNYHREZUKPI-CQSZACIVSA-N 1 3 349.441 2.736 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C2)CCC1 ZINC001190644891 1292262026 /nfs/dbraw/zinc/26/20/26/1292262026.db2.gz ODIGNYHREZUKPI-CQSZACIVSA-N 1 3 349.441 2.736 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653849 1292267350 /nfs/dbraw/zinc/26/73/50/1292267350.db2.gz GWXDXWMBBAVRER-QZTJIDSGSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653849 1292267357 /nfs/dbraw/zinc/26/73/57/1292267357.db2.gz GWXDXWMBBAVRER-QZTJIDSGSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656921 1292270685 /nfs/dbraw/zinc/27/06/85/1292270685.db2.gz XYWTYUUOMIPOAG-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656921 1292270693 /nfs/dbraw/zinc/27/06/93/1292270693.db2.gz XYWTYUUOMIPOAG-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1)C1CCC1 ZINC001190674765 1292280993 /nfs/dbraw/zinc/28/09/93/1292280993.db2.gz DKWBEXGGNJEEKT-ROFLEHJCSA-N 1 3 341.499 2.717 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1)C1CCC1 ZINC001190674765 1292280999 /nfs/dbraw/zinc/28/09/99/1292280999.db2.gz DKWBEXGGNJEEKT-ROFLEHJCSA-N 1 3 341.499 2.717 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049487280 1312915306 /nfs/dbraw/zinc/91/53/06/1312915306.db2.gz SOSIHYLCMIPKNV-VDHUWJSZSA-N 1 3 347.528 2.654 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049487280 1312915310 /nfs/dbraw/zinc/91/53/10/1312915310.db2.gz SOSIHYLCMIPKNV-VDHUWJSZSA-N 1 3 347.528 2.654 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001190778097 1292311058 /nfs/dbraw/zinc/31/10/58/1292311058.db2.gz YMYHTCOGHZAMEG-UNERYHBUSA-N 1 3 343.515 2.819 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1)N(C)C ZINC001190901583 1292347878 /nfs/dbraw/zinc/34/78/78/1292347878.db2.gz YKKPIOJLARHAAE-IAGOWNOFSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1)N(C)C ZINC001190901583 1292347886 /nfs/dbraw/zinc/34/78/86/1292347886.db2.gz YKKPIOJLARHAAE-IAGOWNOFSA-N 1 3 337.533 2.554 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)C12CCC2)CC(C)(C)C ZINC001203425261 1312921113 /nfs/dbraw/zinc/92/11/13/1312921113.db2.gz BCZGZEVJVYOFPJ-AJNJCKRNSA-N 1 3 341.927 2.734 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)CC(C)(C)C ZINC001203426631 1312921929 /nfs/dbraw/zinc/92/19/29/1312921929.db2.gz NWPAGDXLOXWLTA-IAGOWNOFSA-N 1 3 335.536 2.781 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001191029597 1292433974 /nfs/dbraw/zinc/43/39/74/1292433974.db2.gz KOISORNJDCPETK-GOSISDBHSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001191029597 1292433976 /nfs/dbraw/zinc/43/39/76/1292433976.db2.gz KOISORNJDCPETK-GOSISDBHSA-N 1 3 349.494 2.897 20 0 EFADHO CC1(N2CCC2)CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000880474674 1292514054 /nfs/dbraw/zinc/51/40/54/1292514054.db2.gz KSYIFVTUFAVAHA-UHFFFAOYSA-N 1 3 341.499 2.916 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001049504507 1312936241 /nfs/dbraw/zinc/93/62/41/1312936241.db2.gz HECOTCXRJLOMBD-GUDVDZBRSA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC=C(C)C ZINC001049504507 1312936243 /nfs/dbraw/zinc/93/62/43/1312936243.db2.gz HECOTCXRJLOMBD-GUDVDZBRSA-N 1 3 333.520 2.892 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203513892 1312942783 /nfs/dbraw/zinc/94/27/83/1312942783.db2.gz ITTPJZSFMTZMFN-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203515416 1312942888 /nfs/dbraw/zinc/94/28/88/1312942888.db2.gz SOXWNIRIUOAHGQ-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203515308 1312942978 /nfs/dbraw/zinc/94/29/78/1312942978.db2.gz RVOOPRMZAIIIFV-ROUUACIJSA-N 1 3 333.520 2.846 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203516657 1312943532 /nfs/dbraw/zinc/94/35/32/1312943532.db2.gz ZQPZJHIOHRPSAX-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001192016729 1292750038 /nfs/dbraw/zinc/75/00/38/1292750038.db2.gz JSFAXENJVDOLRB-QGZVFWFLSA-N 1 3 347.478 2.509 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203521069 1312944636 /nfs/dbraw/zinc/94/46/36/1312944636.db2.gz IFBOOPKXDALKPA-DLBZAZTESA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ncsc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276323380 1292754017 /nfs/dbraw/zinc/75/40/17/1292754017.db2.gz ZVMJVEOVJMPOPX-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO Cc1ncsc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276323380 1292754026 /nfs/dbraw/zinc/75/40/26/1292754026.db2.gz ZVMJVEOVJMPOPX-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001192029309 1292754000 /nfs/dbraw/zinc/75/40/00/1292754000.db2.gz JWXBGZKZWRZKPP-KRWDZBQOSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1ncsc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001276323380 1292754031 /nfs/dbraw/zinc/75/40/31/1292754031.db2.gz ZVMJVEOVJMPOPX-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028261 1292754125 /nfs/dbraw/zinc/75/41/25/1292754125.db2.gz FHOJVRFMWZDKMH-CRAIPNDOSA-N 1 3 347.478 2.761 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133477 1292788493 /nfs/dbraw/zinc/78/84/93/1292788493.db2.gz BKKFWKYFLULISB-NSDNCLLMSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839480 1292814448 /nfs/dbraw/zinc/81/44/48/1292814448.db2.gz BSWKCYXKUAPFQD-VXNCWWDNSA-N 1 3 337.552 2.693 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114839480 1292814463 /nfs/dbraw/zinc/81/44/63/1292814463.db2.gz BSWKCYXKUAPFQD-VXNCWWDNSA-N 1 3 337.552 2.693 20 0 EFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]c1=O ZINC001276328729 1292823680 /nfs/dbraw/zinc/82/36/80/1292823680.db2.gz ZLQDCRQGVCPXIC-MQVJKMGUSA-N 1 3 344.484 2.837 20 0 EFADHO COc1cncc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276329699 1292826942 /nfs/dbraw/zinc/82/69/42/1292826942.db2.gz SSFYMGZFFOIKDG-UHFFFAOYSA-N 1 3 340.471 2.906 20 0 EFADHO COc1cncc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)c1 ZINC001276329699 1292826954 /nfs/dbraw/zinc/82/69/54/1292826954.db2.gz SSFYMGZFFOIKDG-UHFFFAOYSA-N 1 3 340.471 2.906 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)N1CCCC1 ZINC001016760682 1312963619 /nfs/dbraw/zinc/96/36/19/1312963619.db2.gz BYTNHASAHMZAOK-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049533416 1312975893 /nfs/dbraw/zinc/97/58/93/1312975893.db2.gz OEOKBMPWJPNRPZ-AQNXPRMDSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049533416 1312975897 /nfs/dbraw/zinc/97/58/97/1312975897.db2.gz OEOKBMPWJPNRPZ-AQNXPRMDSA-N 1 3 343.515 2.838 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001192907258 1293096619 /nfs/dbraw/zinc/09/66/19/1293096619.db2.gz UZLKNDYXUCJSNO-IRXDYDNUSA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@H](C)F)C1 ZINC001192907258 1293096627 /nfs/dbraw/zinc/09/66/27/1293096627.db2.gz UZLKNDYXUCJSNO-IRXDYDNUSA-N 1 3 329.504 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001192947687 1293108987 /nfs/dbraw/zinc/10/89/87/1293108987.db2.gz KFKUZJGDGAGTIJ-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001192947687 1293108991 /nfs/dbraw/zinc/10/89/91/1293108991.db2.gz KFKUZJGDGAGTIJ-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001192969358 1293126284 /nfs/dbraw/zinc/12/62/84/1293126284.db2.gz IJPOJXAHIWSYJG-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001192969358 1293126287 /nfs/dbraw/zinc/12/62/87/1293126287.db2.gz IJPOJXAHIWSYJG-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001192969627 1293127442 /nfs/dbraw/zinc/12/74/42/1293127442.db2.gz LLDYDAUJPHOASR-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001192969627 1293127449 /nfs/dbraw/zinc/12/74/49/1293127449.db2.gz LLDYDAUJPHOASR-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001192969464 1293127610 /nfs/dbraw/zinc/12/76/10/1293127610.db2.gz KKTRFNUPDYUUFQ-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001192969464 1293127617 /nfs/dbraw/zinc/12/76/17/1293127617.db2.gz KKTRFNUPDYUUFQ-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028767 1293146141 /nfs/dbraw/zinc/14/61/41/1293146141.db2.gz WQUSZHVIAOTMSS-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028767 1293146143 /nfs/dbraw/zinc/14/61/43/1293146143.db2.gz WQUSZHVIAOTMSS-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203650312 1312980546 /nfs/dbraw/zinc/98/05/46/1312980546.db2.gz GGTAEFCQCABNAI-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203652403 1312981564 /nfs/dbraw/zinc/98/15/64/1312981564.db2.gz UHJFXDVILBFSJK-ROUUACIJSA-N 1 3 329.488 2.545 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660648 1312983223 /nfs/dbraw/zinc/98/32/23/1312983223.db2.gz RCIRNLPOLNXCBU-ADDHZHGLSA-N 1 3 330.476 2.634 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001193278610 1293231088 /nfs/dbraw/zinc/23/10/88/1293231088.db2.gz IFIKWOJDMHKBGY-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001193278610 1293231092 /nfs/dbraw/zinc/23/10/92/1293231092.db2.gz IFIKWOJDMHKBGY-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193292150 1293238604 /nfs/dbraw/zinc/23/86/04/1293238604.db2.gz MVIJNXKVOBUDFA-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193292150 1293238606 /nfs/dbraw/zinc/23/86/06/1293238606.db2.gz MVIJNXKVOBUDFA-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383458 1293283779 /nfs/dbraw/zinc/28/37/79/1293283779.db2.gz UQONRNXGXXOFSY-IBGZPJMESA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193383459 1293284569 /nfs/dbraw/zinc/28/45/69/1293284569.db2.gz UQONRNXGXXOFSY-LJQANCHMSA-N 1 3 333.520 2.607 20 0 EFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1C(F)(F)F ZINC001203690191 1312991416 /nfs/dbraw/zinc/99/14/16/1312991416.db2.gz JROLTXJOTGKCPI-DLBZAZTESA-N 1 3 341.421 2.916 20 0 EFADHO CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193423543 1293301837 /nfs/dbraw/zinc/30/18/37/1293301837.db2.gz BZDJUOJGZMUULU-XTUKKMCOSA-N 1 3 349.906 2.965 20 0 EFADHO CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193423543 1293301841 /nfs/dbraw/zinc/30/18/41/1293301841.db2.gz BZDJUOJGZMUULU-XTUKKMCOSA-N 1 3 349.906 2.965 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571054 1293347535 /nfs/dbraw/zinc/34/75/35/1293347535.db2.gz PSNRYJKAFJUTNE-RGFVMQALSA-N 1 3 343.515 2.964 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571051 1293348150 /nfs/dbraw/zinc/34/81/50/1293348150.db2.gz PSNRYJKAFJUTNE-JTPHSUOKSA-N 1 3 343.515 2.964 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001203709526 1312995703 /nfs/dbraw/zinc/99/57/03/1312995703.db2.gz VWDYBORYNCSNGY-UHFFFAOYSA-N 1 3 343.515 2.686 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001193561174 1293362494 /nfs/dbraw/zinc/36/24/94/1293362494.db2.gz WWSQYXDHRLBJNI-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001193561175 1293362907 /nfs/dbraw/zinc/36/29/07/1293362907.db2.gz WWSQYXDHRLBJNI-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193623077 1293372863 /nfs/dbraw/zinc/37/28/63/1293372863.db2.gz XDOXDNGAVLRDDH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001193623077 1293372871 /nfs/dbraw/zinc/37/28/71/1293372871.db2.gz XDOXDNGAVLRDDH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3oc(=O)oc3c2)cc1 ZINC000882898916 1293376830 /nfs/dbraw/zinc/37/68/30/1293376830.db2.gz ZCDNDBOOQJPQRD-UHFFFAOYSA-N 1 3 342.395 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C1 ZINC001193640835 1293379444 /nfs/dbraw/zinc/37/94/44/1293379444.db2.gz FQLHLPIXAMJYFM-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C1 ZINC001193640835 1293379453 /nfs/dbraw/zinc/37/94/53/1293379453.db2.gz FQLHLPIXAMJYFM-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001193640987 1293382590 /nfs/dbraw/zinc/38/25/90/1293382590.db2.gz GWVFLEKZJLKELV-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001193640987 1293382598 /nfs/dbraw/zinc/38/25/98/1293382598.db2.gz GWVFLEKZJLKELV-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547168 1313002745 /nfs/dbraw/zinc/00/27/45/1313002745.db2.gz HZPLUSDBLWTKOF-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547168 1313002748 /nfs/dbraw/zinc/00/27/48/1313002748.db2.gz HZPLUSDBLWTKOF-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096547168 1313002751 /nfs/dbraw/zinc/00/27/51/1313002751.db2.gz HZPLUSDBLWTKOF-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001096545814 1312999681 /nfs/dbraw/zinc/99/96/81/1312999681.db2.gz PHXJFDAPGWZRFK-INRVHYOMSA-N 1 3 339.483 2.517 20 0 EFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001096545814 1312999685 /nfs/dbraw/zinc/99/96/85/1312999685.db2.gz PHXJFDAPGWZRFK-INRVHYOMSA-N 1 3 339.483 2.517 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828428 1313000618 /nfs/dbraw/zinc/00/06/18/1313000618.db2.gz FFJUXGYGUNROOG-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001194041321 1293510251 /nfs/dbraw/zinc/51/02/51/1293510251.db2.gz XGCRTMUCJBVOIU-HXUWFJFHSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001194041321 1293510255 /nfs/dbraw/zinc/51/02/55/1293510255.db2.gz XGCRTMUCJBVOIU-HXUWFJFHSA-N 1 3 343.515 2.556 20 0 EFADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228674 1293548553 /nfs/dbraw/zinc/54/85/53/1293548553.db2.gz SHLDEJYCIQRWSW-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228674 1293548555 /nfs/dbraw/zinc/54/85/55/1293548555.db2.gz SHLDEJYCIQRWSW-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCF)C23CCC3)c1 ZINC001203773324 1313011354 /nfs/dbraw/zinc/01/13/54/1313011354.db2.gz VLOSSUZECJEZGU-MSOLQXFVSA-N 1 3 347.478 2.738 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194266661 1293575539 /nfs/dbraw/zinc/57/55/39/1293575539.db2.gz XSKAKIYTRCXZTL-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194266661 1293575543 /nfs/dbraw/zinc/57/55/43/1293575543.db2.gz XSKAKIYTRCXZTL-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203772399 1313011732 /nfs/dbraw/zinc/01/17/32/1313011732.db2.gz SFFABMOWJSJNBM-ZWKOTPCHSA-N 1 3 347.478 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001194284781 1293585752 /nfs/dbraw/zinc/58/57/52/1293585752.db2.gz NQWGNYYKCAJRSB-CQSZACIVSA-N 1 3 337.430 2.592 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001194284781 1293585756 /nfs/dbraw/zinc/58/57/56/1293585756.db2.gz NQWGNYYKCAJRSB-CQSZACIVSA-N 1 3 337.430 2.592 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194285478 1293588503 /nfs/dbraw/zinc/58/85/03/1293588503.db2.gz SDQWILLLVRGODW-LJQANCHMSA-N 1 3 345.531 2.985 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194285478 1293588507 /nfs/dbraw/zinc/58/85/07/1293588507.db2.gz SDQWILLLVRGODW-LJQANCHMSA-N 1 3 345.531 2.985 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001194294099 1293591633 /nfs/dbraw/zinc/59/16/33/1293591633.db2.gz JSUNRABXECAECN-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001194294099 1293591638 /nfs/dbraw/zinc/59/16/38/1293591638.db2.gz JSUNRABXECAECN-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001194294223 1293591913 /nfs/dbraw/zinc/59/19/13/1293591913.db2.gz LBZLUCWBGXICSM-HKUYNNGSSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001194294223 1293591915 /nfs/dbraw/zinc/59/19/15/1293591915.db2.gz LBZLUCWBGXICSM-HKUYNNGSSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203791803 1313016205 /nfs/dbraw/zinc/01/62/05/1313016205.db2.gz LLKLZJVBGBHEKO-QZTJIDSGSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791107 1313016315 /nfs/dbraw/zinc/01/63/15/1313016315.db2.gz CNOYFEHLDXNQQB-MOPGFXCFSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203791349 1313016710 /nfs/dbraw/zinc/01/67/10/1313016710.db2.gz HRIIBCRBRHYQGT-ROUUACIJSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203794166 1313017566 /nfs/dbraw/zinc/01/75/66/1313017566.db2.gz VAZDRYQWFYCECP-RBUKOAKNSA-N 1 3 343.515 2.586 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203794768 1313017674 /nfs/dbraw/zinc/01/76/74/1313017674.db2.gz YGFUFHSKCIMNJS-ZWKOTPCHSA-N 1 3 347.547 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203794764 1313018122 /nfs/dbraw/zinc/01/81/22/1313018122.db2.gz YGFUFHSKCIMNJS-MSOLQXFVSA-N 1 3 347.547 2.924 20 0 EFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1cc(C(C)(C)C)ccc1OC ZINC001195485417 1293940543 /nfs/dbraw/zinc/94/05/43/1293940543.db2.gz MKYRZZSUBRHGAR-UHFFFAOYSA-N 1 3 348.491 2.670 20 0 EFADHO CCC[NH+](CCC)CCN1CCN(CCC2CCOCC2)CC1 ZINC001202664915 1293997679 /nfs/dbraw/zinc/99/76/79/1293997679.db2.gz XPQDGMRSZCJTQI-UHFFFAOYSA-N 1 3 325.541 2.543 20 0 EFADHO N[C@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000884204785 1294047978 /nfs/dbraw/zinc/04/79/78/1294047978.db2.gz FBEGVFVAOVIFJH-LJQANCHMSA-N 1 3 329.488 2.806 20 0 EFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](N)CC3CC3)cc2)CC1 ZINC000884224596 1294055584 /nfs/dbraw/zinc/05/55/84/1294055584.db2.gz SZJDWZUXZXWXOV-LJQANCHMSA-N 1 3 344.503 2.531 20 0 EFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)CC3CC3)cc2)CC1 ZINC000884224595 1294056025 /nfs/dbraw/zinc/05/60/25/1294056025.db2.gz SZJDWZUXZXWXOV-IBGZPJMESA-N 1 3 344.503 2.531 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001203932446 1313050900 /nfs/dbraw/zinc/05/09/00/1313050900.db2.gz FTLZQPSVFNZYSH-HNNXBMFYSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001196033257 1294117714 /nfs/dbraw/zinc/11/77/14/1294117714.db2.gz MLJCOCWXEVQPTR-QGZVFWFLSA-N 1 3 341.515 2.637 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001196033257 1294117719 /nfs/dbraw/zinc/11/77/19/1294117719.db2.gz MLJCOCWXEVQPTR-QGZVFWFLSA-N 1 3 341.515 2.637 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000884450315 1294142757 /nfs/dbraw/zinc/14/27/57/1294142757.db2.gz FBFPBYIXEWRGAY-CABCVRRESA-N 1 3 343.393 2.552 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196274714 1294188754 /nfs/dbraw/zinc/18/87/54/1294188754.db2.gz AQYGSYNVVUZWMV-FKDQEEMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196274714 1294188758 /nfs/dbraw/zinc/18/87/58/1294188758.db2.gz AQYGSYNVVUZWMV-FKDQEEMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016983548 1313071629 /nfs/dbraw/zinc/07/16/29/1313071629.db2.gz VFDKPOLCGXCENG-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(CCCc2cccc(F)c2)CC1 ZINC001196970649 1294413740 /nfs/dbraw/zinc/41/37/40/1294413740.db2.gz PDNOGRKBZWQZME-UHFFFAOYSA-N 1 3 349.494 2.634 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001196942738 1294418547 /nfs/dbraw/zinc/41/85/47/1294418547.db2.gz IIKUWZSCXGKLBR-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000958783427 1294482032 /nfs/dbraw/zinc/48/20/32/1294482032.db2.gz AMPGMPJHELTKSL-VQTJNVASSA-N 1 3 343.515 2.983 20 0 EFADHO CN(C)C1(C(=O)N2CCc3ccccc3[C@H]2C[NH2+]CC2CC2)CCC1 ZINC000958791138 1294490281 /nfs/dbraw/zinc/49/02/81/1294490281.db2.gz NHWBIAWYLRSFDS-LJQANCHMSA-N 1 3 341.499 2.596 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C ZINC000958810137 1294513205 /nfs/dbraw/zinc/51/32/05/1294513205.db2.gz NOCCIUFUQQYYAR-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C ZINC000958810134 1294513414 /nfs/dbraw/zinc/51/34/14/1294513414.db2.gz NOCCIUFUQQYYAR-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@H]21)N(C)C ZINC001114853812 1294536337 /nfs/dbraw/zinc/53/63/37/1294536337.db2.gz HVFRKTYVJZNBSY-ZGXWSNOMSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@H]21)N(C)C ZINC001114853812 1294536346 /nfs/dbraw/zinc/53/63/46/1294536346.db2.gz HVFRKTYVJZNBSY-ZGXWSNOMSA-N 1 3 343.515 2.697 20 0 EFADHO O=c1cccc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276355007 1294579429 /nfs/dbraw/zinc/57/94/29/1294579429.db2.gz JWVINLKJDYBSPV-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO O=c1cccc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276355007 1294579441 /nfs/dbraw/zinc/57/94/41/1294579441.db2.gz JWVINLKJDYBSPV-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610989 1313086427 /nfs/dbraw/zinc/08/64/27/1313086427.db2.gz DAPJHUJMFXYPSK-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049610989 1313086431 /nfs/dbraw/zinc/08/64/31/1313086431.db2.gz DAPJHUJMFXYPSK-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](COCc1ccccc1)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000886013201 1294621702 /nfs/dbraw/zinc/62/17/02/1294621702.db2.gz YHDPKCFWQLKLLG-SFHVURJKSA-N 1 3 334.504 2.618 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616430 1313090278 /nfs/dbraw/zinc/09/02/78/1313090278.db2.gz VWGJVBXATQNDPZ-AQNXPRMDSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616430 1313090282 /nfs/dbraw/zinc/09/02/82/1313090282.db2.gz VWGJVBXATQNDPZ-AQNXPRMDSA-N 1 3 345.531 2.892 20 0 EFADHO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000886059520 1294651529 /nfs/dbraw/zinc/65/15/29/1294651529.db2.gz GUQMTZPVRNYODC-BZSNNMDCSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886094467 1294672508 /nfs/dbraw/zinc/67/25/08/1294672508.db2.gz SLDNIXPHKSVAPK-HXUWFJFHSA-N 1 3 349.563 2.826 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197809642 1294725334 /nfs/dbraw/zinc/72/53/34/1294725334.db2.gz FGOSIBJLDDIGJW-QZTJIDSGSA-N 1 3 341.515 2.781 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197810019 1294728158 /nfs/dbraw/zinc/72/81/58/1294728158.db2.gz QGOTVYJWGDHEPY-ASIGSXEYSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001197908302 1294797494 /nfs/dbraw/zinc/79/74/94/1294797494.db2.gz WNVYBSMWVAIKEP-UHFFFAOYSA-N 1 3 345.531 2.804 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001197908302 1294797501 /nfs/dbraw/zinc/79/75/01/1294797501.db2.gz WNVYBSMWVAIKEP-UHFFFAOYSA-N 1 3 345.531 2.804 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631938 1313111965 /nfs/dbraw/zinc/11/19/65/1313111965.db2.gz YTUVGDLKTRSYRB-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631938 1313111968 /nfs/dbraw/zinc/11/19/68/1313111968.db2.gz YTUVGDLKTRSYRB-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001198221642 1294928837 /nfs/dbraw/zinc/92/88/37/1294928837.db2.gz LGSUINFLRXMZES-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001198221642 1294928844 /nfs/dbraw/zinc/92/88/44/1294928844.db2.gz LGSUINFLRXMZES-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001198221642 1294928852 /nfs/dbraw/zinc/92/88/52/1294928852.db2.gz LGSUINFLRXMZES-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO COC(=O)C[C@@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269883 1313112890 /nfs/dbraw/zinc/11/28/90/1313112890.db2.gz LNWCFGIZAWLGFQ-SFHVURJKSA-N 1 3 348.487 2.792 20 0 EFADHO CCc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CCCC3)CC2)c1 ZINC001006407235 1294949748 /nfs/dbraw/zinc/94/97/48/1294949748.db2.gz KRUAZPOUJHQOFP-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001152433186 1294969194 /nfs/dbraw/zinc/96/91/94/1294969194.db2.gz WPZQSGMCRHHNEW-ZDUSSCGKSA-N 1 3 345.409 2.812 20 0 EFADHO CCCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204310493 1313120704 /nfs/dbraw/zinc/12/07/04/1313120704.db2.gz SVYNQVFEDHYVJJ-UHFFFAOYSA-N 1 3 345.531 2.935 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203903849 1295028810 /nfs/dbraw/zinc/02/88/10/1295028810.db2.gz PMEIKYLXBGVTAO-QGZVFWFLSA-N 1 3 327.488 2.581 20 0 EFADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001006411123 1295049647 /nfs/dbraw/zinc/04/96/47/1295049647.db2.gz PBWQLVLUWAKKBQ-QBUQCISBSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001006411123 1295049653 /nfs/dbraw/zinc/04/96/53/1295049653.db2.gz PBWQLVLUWAKKBQ-QBUQCISBSA-N 1 3 341.499 2.574 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001152452211 1295057584 /nfs/dbraw/zinc/05/75/84/1295057584.db2.gz WROYOYTXPDKQQT-ROUUACIJSA-N 1 3 349.906 2.908 20 0 EFADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234416282 1313123974 /nfs/dbraw/zinc/12/39/74/1313123974.db2.gz ZQPNFTUUEUDMMG-UMPVYUTHSA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234416282 1313123979 /nfs/dbraw/zinc/12/39/79/1313123979.db2.gz ZQPNFTUUEUDMMG-UMPVYUTHSA-N 1 3 335.536 2.996 20 0 EFADHO CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000886967231 1295228959 /nfs/dbraw/zinc/22/89/59/1295228959.db2.gz VYKSGXPIZCHDDM-UHFFFAOYSA-N 1 3 328.460 2.772 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(C)C ZINC001198760391 1295236587 /nfs/dbraw/zinc/23/65/87/1295236587.db2.gz VGQAJJGFXMKFHS-KRWDZBQOSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198777012 1295246648 /nfs/dbraw/zinc/24/66/48/1295246648.db2.gz VVGMBWXNIILKSI-INIZCTEOSA-N 1 3 335.492 2.581 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198777012 1295246660 /nfs/dbraw/zinc/24/66/60/1295246660.db2.gz VVGMBWXNIILKSI-INIZCTEOSA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)C)c1ccccc1OC)N(C)C ZINC001198777090 1295247627 /nfs/dbraw/zinc/24/76/27/1295247627.db2.gz WXZCEZGAPMRUGS-ZWKOTPCHSA-N 1 3 349.519 2.828 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071422 1313139932 /nfs/dbraw/zinc/13/99/32/1313139932.db2.gz MKNVNDLSRMERKE-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071422 1313139933 /nfs/dbraw/zinc/13/99/33/1313139933.db2.gz MKNVNDLSRMERKE-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001017072997 1313140845 /nfs/dbraw/zinc/14/08/45/1313140845.db2.gz XVRLOQJHPDQCPO-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001017072997 1313140847 /nfs/dbraw/zinc/14/08/47/1313140847.db2.gz XVRLOQJHPDQCPO-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000887134551 1295288303 /nfs/dbraw/zinc/28/83/03/1295288303.db2.gz LQXWGIVAQFDFKD-INIZCTEOSA-N 1 3 331.460 2.525 20 0 EFADHO C[C@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000887134551 1295288307 /nfs/dbraw/zinc/28/83/07/1295288307.db2.gz LQXWGIVAQFDFKD-INIZCTEOSA-N 1 3 331.460 2.525 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CC1CCC2(CC1)OCCO2 ZINC000887134551 1295288313 /nfs/dbraw/zinc/28/83/13/1295288313.db2.gz LQXWGIVAQFDFKD-INIZCTEOSA-N 1 3 331.460 2.525 20 0 EFADHO C[C@@H]1CN(c2ccncc2)CC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000887134552 1295288814 /nfs/dbraw/zinc/28/88/14/1295288814.db2.gz LQXWGIVAQFDFKD-MRXNPFEDSA-N 1 3 331.460 2.525 20 0 EFADHO C[C@@H]1CN(c2ccncc2)CC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000887134552 1295288828 /nfs/dbraw/zinc/28/88/28/1295288828.db2.gz LQXWGIVAQFDFKD-MRXNPFEDSA-N 1 3 331.460 2.525 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CC1CCC2(CC1)OCCO2 ZINC000887134552 1295288835 /nfs/dbraw/zinc/28/88/35/1295288835.db2.gz LQXWGIVAQFDFKD-MRXNPFEDSA-N 1 3 331.460 2.525 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](NC(C)C)c1ccccc1OC)[NH+](CC)CC ZINC001198894997 1295297796 /nfs/dbraw/zinc/29/77/96/1295297796.db2.gz NNPQCVDAODXKEO-QZTJIDSGSA-N 1 3 349.519 2.971 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CN1CCC[C@@H]1C)[NH2+]CC(C)C ZINC001198902758 1295303133 /nfs/dbraw/zinc/30/31/33/1295303133.db2.gz OKGTYEKGOMWMBT-WMZOPIPTSA-N 1 3 347.503 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1OC)N(C)C ZINC001198902888 1295303366 /nfs/dbraw/zinc/30/33/66/1295303366.db2.gz RCOHEPHINPWVHN-ROUUACIJSA-N 1 3 347.503 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1OC)N(C)C ZINC001198902887 1295303394 /nfs/dbraw/zinc/30/33/94/1295303394.db2.gz RCOHEPHINPWVHN-MSOLQXFVSA-N 1 3 347.503 2.582 20 0 EFADHO CCCCCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886057 1295321516 /nfs/dbraw/zinc/32/15/16/1295321516.db2.gz YACNTEQKRCQNLI-KRWDZBQOSA-N 1 3 335.492 2.584 20 0 EFADHO CC/C=C\CCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885978 1295321699 /nfs/dbraw/zinc/32/16/99/1295321699.db2.gz WHJRDKPTKINXQQ-MJRGOJFPSA-N 1 3 347.503 2.750 20 0 EFADHO CCCCCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953975 1295352175 /nfs/dbraw/zinc/35/21/75/1295352175.db2.gz XQZUGMCRZOWDQN-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO CCCCCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953975 1295352179 /nfs/dbraw/zinc/35/21/79/1295352179.db2.gz XQZUGMCRZOWDQN-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO CCCCN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960703 1295358841 /nfs/dbraw/zinc/35/88/41/1295358841.db2.gz LQGNJSWGTBKDRJ-WMZOPIPTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960703 1295358845 /nfs/dbraw/zinc/35/88/45/1295358845.db2.gz LQGNJSWGTBKDRJ-WMZOPIPTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]C[C@H](C)CC)c1ccccc1OC ZINC001198968933 1295366450 /nfs/dbraw/zinc/36/64/50/1295366450.db2.gz PVARQYUVZUDNOP-SJLPKXTDSA-N 1 3 349.519 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001203925437 1295424208 /nfs/dbraw/zinc/42/42/08/1295424208.db2.gz NTHYCDSEJDGPKH-OAHLLOKOSA-N 1 3 345.478 2.733 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC001204530488 1313157661 /nfs/dbraw/zinc/15/76/61/1313157661.db2.gz FFGQWJCKAHJGMQ-UHFFFAOYSA-N 1 3 341.421 2.563 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC1 ZINC001276473129 1313164069 /nfs/dbraw/zinc/16/40/69/1313164069.db2.gz UWEGHUQRNFWLKE-RBUKOAKNSA-N 1 3 347.547 2.855 20 0 EFADHO CCc1nc2c(s1)[C@H](N(C)C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CCC2 ZINC000903756013 1313170160 /nfs/dbraw/zinc/17/01/60/1313170160.db2.gz OCKCTGDSRROOFQ-SIIHOXLZSA-N 1 3 335.517 2.783 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)N1CCCC1 ZINC001037229413 1295586521 /nfs/dbraw/zinc/58/65/21/1295586521.db2.gz ZOUDZXAPMFKCFW-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001234641464 1313176201 /nfs/dbraw/zinc/17/62/01/1313176201.db2.gz DHVJUNZKXMMLHD-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001234641464 1313176203 /nfs/dbraw/zinc/17/62/03/1313176203.db2.gz DHVJUNZKXMMLHD-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001234643341 1313176433 /nfs/dbraw/zinc/17/64/33/1313176433.db2.gz OEGIESUMWVKGCM-HZPDHXFCSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001234643341 1313176436 /nfs/dbraw/zinc/17/64/36/1313176436.db2.gz OEGIESUMWVKGCM-HZPDHXFCSA-N 1 3 329.504 2.635 20 0 EFADHO Cc1cccc(CCC[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001199787597 1295750949 /nfs/dbraw/zinc/75/09/49/1295750949.db2.gz BSCIQHIEYVAZST-HXUWFJFHSA-N 1 3 343.515 2.602 20 0 EFADHO Fc1ccc([C@@H]2CCCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1F ZINC000903770275 1313183571 /nfs/dbraw/zinc/18/35/71/1313183571.db2.gz WGAYDQGVJDFLQU-MDZRGWNJSA-N 1 3 336.426 2.913 20 0 EFADHO CN(C)c1cc[nH+]cc1Nc1ccc(CN2CCN(C)CC2)cc1 ZINC001204724429 1313185184 /nfs/dbraw/zinc/18/51/84/1313185184.db2.gz JLSGYHIKJMZBQV-UHFFFAOYSA-N 1 3 325.460 2.639 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001204799469 1313196658 /nfs/dbraw/zinc/19/66/58/1313196658.db2.gz XPJDAICKTMLSOO-MVHVFESUSA-N 1 3 341.499 2.622 20 0 EFADHO CCOc1ccccc1N1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001204896072 1313207461 /nfs/dbraw/zinc/20/74/61/1313207461.db2.gz GBFSLMXARIHFMR-UHFFFAOYSA-N 1 3 343.515 2.987 20 0 EFADHO COCCN(Cc1ccc(C)cc1C)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783813 1313207844 /nfs/dbraw/zinc/20/78/44/1313207844.db2.gz DPQVWAURRKKDTG-HXUWFJFHSA-N 1 3 346.515 2.911 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017153406 1313208125 /nfs/dbraw/zinc/20/81/25/1313208125.db2.gz OMCISTNHNCNLCO-PKOBYXMFSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017153406 1313208128 /nfs/dbraw/zinc/20/81/28/1313208128.db2.gz OMCISTNHNCNLCO-PKOBYXMFSA-N 1 3 349.494 2.836 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786997 1313212469 /nfs/dbraw/zinc/21/24/69/1313212469.db2.gz SRSSLFRMOMXOLA-SJORKVTESA-N 1 3 345.487 2.735 20 0 EFADHO CC(C)(O)CCCC1=CC[C@@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001234971501 1313214600 /nfs/dbraw/zinc/21/46/00/1313214600.db2.gz PDLCOVLWGQUTPF-GUDVDZBRSA-N 1 3 336.520 2.574 20 0 EFADHO Brc1ccc([C@@H]2CCCN2CC[C@H]2C[NH2+]CCO2)cc1 ZINC001205001351 1313219553 /nfs/dbraw/zinc/21/95/53/1313219553.db2.gz QJODSYWKHXWOOV-HOTGVXAUSA-N 1 3 339.277 2.965 20 0 EFADHO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794435 1313225428 /nfs/dbraw/zinc/22/54/28/1313225428.db2.gz VENHUJMQYFVVKH-QZTJIDSGSA-N 1 3 343.515 2.768 20 0 EFADHO C[NH+](C)CCN1CCC12CN(CC1(c3ccccc3)CCCC1)C2 ZINC001274880584 1296205457 /nfs/dbraw/zinc/20/54/57/1296205457.db2.gz RBLCTKSQZPKQHR-UHFFFAOYSA-N 1 3 327.516 2.820 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959898052 1296208236 /nfs/dbraw/zinc/20/82/36/1296208236.db2.gz YUCOBISYFJGCOZ-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959898052 1296208248 /nfs/dbraw/zinc/20/82/48/1296208248.db2.gz YUCOBISYFJGCOZ-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO COCOCCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001274929676 1296218078 /nfs/dbraw/zinc/21/80/78/1296218078.db2.gz SJVFZKJFMPZSLB-UHFFFAOYSA-N 1 3 338.414 2.737 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042259 1313229994 /nfs/dbraw/zinc/22/99/94/1313229994.db2.gz XCLSZGYDGPJYEI-SFHVURJKSA-N 1 3 325.497 2.899 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC000959913877 1296229602 /nfs/dbraw/zinc/22/96/02/1296229602.db2.gz ZVJPTMCTKIOQMH-ZWKOTPCHSA-N 1 3 349.544 2.930 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC000959922139 1296240782 /nfs/dbraw/zinc/24/07/82/1296240782.db2.gz ASIURUFXZVQVHZ-OALUTQOASA-N 1 3 347.478 2.721 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000959925000 1296241288 /nfs/dbraw/zinc/24/12/88/1296241288.db2.gz KPYITCXVDAUEHK-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000959924977 1296241754 /nfs/dbraw/zinc/24/17/54/1296241754.db2.gz KHPAQVCBPQGVJR-FUHWJXTLSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C2CCCC2)c1 ZINC001275445053 1296282279 /nfs/dbraw/zinc/28/22/79/1296282279.db2.gz WAGFJUJURIYIGH-PMACEKPBSA-N 1 3 341.499 2.980 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001275445053 1296282281 /nfs/dbraw/zinc/28/22/81/1296282281.db2.gz WAGFJUJURIYIGH-PMACEKPBSA-N 1 3 341.499 2.980 20 0 EFADHO CC(C)(C)OC(=O)NCCN1CCC2(CC1)C[NH2+]Cc1ccccc12 ZINC001235085646 1313238940 /nfs/dbraw/zinc/23/89/40/1313238940.db2.gz CJTWTKWBXJBQJF-UHFFFAOYSA-N 1 3 345.487 2.648 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092037 1313240119 /nfs/dbraw/zinc/24/01/19/1313240119.db2.gz WJTSDMDCDQJNBO-INIZCTEOSA-N 1 3 347.450 2.612 20 0 EFADHO C[NH+](C)CCN1CCC[C@]2(CCCN(Cc3cc(O)ccc3F)C2)C1 ZINC001275905527 1296445153 /nfs/dbraw/zinc/44/51/53/1296445153.db2.gz BXOSJZAPOAMNGV-FQEVSTJZSA-N 1 3 349.494 2.771 20 0 EFADHO Cc1cc(CN2CCC[C@@](O)(C[NH3+])CC2)cc(C)c1Br ZINC001205239411 1313257206 /nfs/dbraw/zinc/25/72/06/1313257206.db2.gz AJCGWSHFUNLVOQ-INIZCTEOSA-N 1 3 341.293 2.742 20 0 EFADHO [NH3+]C[C@]1(O)CCCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205249779 1313259802 /nfs/dbraw/zinc/25/98/02/1313259802.db2.gz ZNLRKLNTZVWNSB-KRWDZBQOSA-N 1 3 335.835 2.671 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200894391 1296476804 /nfs/dbraw/zinc/47/68/04/1296476804.db2.gz QKQYFCXSRCGKPK-BMOGTNHUSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200894391 1296476806 /nfs/dbraw/zinc/47/68/06/1296476806.db2.gz QKQYFCXSRCGKPK-BMOGTNHUSA-N 1 3 348.318 2.760 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC000960130060 1296489802 /nfs/dbraw/zinc/48/98/02/1296489802.db2.gz FUZSMFPCYKZDPC-KRWDZBQOSA-N 1 3 349.544 2.951 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC000960130230 1296489887 /nfs/dbraw/zinc/48/98/87/1296489887.db2.gz IXRYCDUFEPDWEQ-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC000960130232 1296490287 /nfs/dbraw/zinc/49/02/87/1296490287.db2.gz IXRYCDUFEPDWEQ-PMPSAXMXSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000960131606 1296490940 /nfs/dbraw/zinc/49/09/40/1296490940.db2.gz OBWZIJIHTPYMBV-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960132178 1296491672 /nfs/dbraw/zinc/49/16/72/1296491672.db2.gz SOFFQNBFTGNRRA-RDJZCZTQSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC000960131856 1296491868 /nfs/dbraw/zinc/49/18/68/1296491868.db2.gz SBEMKYAIMOIPFE-HKUYNNGSSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC000960132714 1296492460 /nfs/dbraw/zinc/49/24/60/1296492460.db2.gz YVXBCIZOMGYWFB-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC000960135656 1296495849 /nfs/dbraw/zinc/49/58/49/1296495849.db2.gz JDHYROAFFCINHC-OALUTQOASA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC000960134905 1296496081 /nfs/dbraw/zinc/49/60/81/1296496081.db2.gz FTUMMDDWCJLCDL-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO COc1cc(CN2CCC[C@](C)([NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001205281870 1313263757 /nfs/dbraw/zinc/26/37/57/1313263757.db2.gz ZDIXGDIJGOTUBV-IBGZPJMESA-N 1 3 328.460 2.893 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc(OC)c1O ZINC001235230794 1313270431 /nfs/dbraw/zinc/27/04/31/1313270431.db2.gz QSCGFONILFZPRS-INIZCTEOSA-N 1 3 334.460 2.764 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2)CC1 ZINC000960171158 1296537363 /nfs/dbraw/zinc/53/73/63/1296537363.db2.gz ZIVUNNRUJFKSAI-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]C(C)C)C1 ZINC001205318408 1313268834 /nfs/dbraw/zinc/26/88/34/1313268834.db2.gz CDTVTWLFDSIBHR-RBUKOAKNSA-N 1 3 349.494 2.850 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1c1ccc(F)cc1 ZINC001205318609 1313269179 /nfs/dbraw/zinc/26/91/79/1313269179.db2.gz INUJGFHWYIPCBD-RBUKOAKNSA-N 1 3 349.494 2.852 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017213990 1313269543 /nfs/dbraw/zinc/26/95/43/1313269543.db2.gz UDTYMGLHNQEYLB-MJGOQNOKSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017213990 1313269547 /nfs/dbraw/zinc/26/95/47/1313269547.db2.gz UDTYMGLHNQEYLB-MJGOQNOKSA-N 1 3 349.494 2.836 20 0 EFADHO COc1ccc(OC)c(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1N ZINC001235230630 1313270218 /nfs/dbraw/zinc/27/02/18/1313270218.db2.gz VICJMCAUOPFDKF-MRXNPFEDSA-N 1 3 333.476 2.640 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]C/C=C/c3ccccc3)CC2)CCC1 ZINC001201037438 1296555215 /nfs/dbraw/zinc/55/52/15/1296555215.db2.gz ITHNQPUAUSOSOW-UXBLZVDNSA-N 1 3 341.499 2.765 20 0 EFADHO COC(=O)c1cccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c1OC ZINC001235236747 1313271162 /nfs/dbraw/zinc/27/11/62/1313271162.db2.gz HWOODIJVERXUHS-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO COc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1OC(C)=O ZINC001235237955 1313271325 /nfs/dbraw/zinc/27/13/25/1313271325.db2.gz FLNBYAODGYKFNT-SFHVURJKSA-N 1 3 346.471 2.975 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1OC ZINC001235243354 1313271965 /nfs/dbraw/zinc/27/19/65/1313271965.db2.gz XAMQAVGKTAXYQU-SFHVURJKSA-N 1 3 346.471 2.836 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)C1CC1 ZINC001201053342 1296566334 /nfs/dbraw/zinc/56/63/34/1296566334.db2.gz ONXOCDHTETXZOB-AQDCRGGLSA-N 1 3 341.499 2.621 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCc2ccsc2)CC1)C1CC1 ZINC001201053599 1296567332 /nfs/dbraw/zinc/56/73/32/1296567332.db2.gz TZTWXTLFQVTNQG-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001017222514 1313275488 /nfs/dbraw/zinc/27/54/88/1313275488.db2.gz VLNLYLXUFLHSKQ-ABHNRTSZSA-N 1 3 346.519 2.949 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001017222514 1313275494 /nfs/dbraw/zinc/27/54/94/1313275494.db2.gz VLNLYLXUFLHSKQ-ABHNRTSZSA-N 1 3 346.519 2.949 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1c[nH]c2cc(F)ccc12 ZINC001276092856 1296605816 /nfs/dbraw/zinc/60/58/16/1296605816.db2.gz STPKKAIJMDFYDB-AYHJJNSGSA-N 1 3 344.478 2.954 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001049768756 1313279268 /nfs/dbraw/zinc/27/92/68/1313279268.db2.gz ZSFGMQYDSPDBHO-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCCC1 ZINC001049768756 1313279271 /nfs/dbraw/zinc/27/92/71/1313279271.db2.gz ZSFGMQYDSPDBHO-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC000960262815 1296668445 /nfs/dbraw/zinc/66/84/45/1296668445.db2.gz RCWZAAWDOQOYON-GUDVDZBRSA-N 1 3 329.488 2.639 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1CCC ZINC000960272389 1296682708 /nfs/dbraw/zinc/68/27/08/1296682708.db2.gz ASNYLFPUIHOWSW-GUDVDZBRSA-N 1 3 329.488 2.643 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001095533550 1296694006 /nfs/dbraw/zinc/69/40/06/1296694006.db2.gz CPBRGLCVMRETGC-XWSJACJDSA-N 1 3 331.504 2.525 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001095533550 1296694026 /nfs/dbraw/zinc/69/40/26/1296694026.db2.gz CPBRGLCVMRETGC-XWSJACJDSA-N 1 3 331.504 2.525 20 0 EFADHO CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205460924 1313292719 /nfs/dbraw/zinc/29/27/19/1313292719.db2.gz ARSCMBAQAGFWOL-GHOSXJJBSA-N 1 3 335.536 2.901 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458413 1313293039 /nfs/dbraw/zinc/29/30/39/1313293039.db2.gz KOSMEJYPSFQKTP-RBUKOAKNSA-N 1 3 349.494 2.850 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000960289691 1296707088 /nfs/dbraw/zinc/70/70/88/1296707088.db2.gz AJPZRAPMLPNFPV-VAMGGRTRSA-N 1 3 341.499 2.643 20 0 EFADHO CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205460927 1313293480 /nfs/dbraw/zinc/29/34/80/1313293480.db2.gz ARSCMBAQAGFWOL-LIXSYLKWSA-N 1 3 335.536 2.901 20 0 EFADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(C2C[NH2+]C2)CC1 ZINC001235334319 1313293810 /nfs/dbraw/zinc/29/38/10/1313293810.db2.gz CFSOGQZPYICQSD-UHFFFAOYSA-N 1 3 341.455 2.776 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000960294948 1296712917 /nfs/dbraw/zinc/71/29/17/1296712917.db2.gz FIWRFUHKXZJKBC-QZTJIDSGSA-N 1 3 329.488 2.643 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CCc2cccs2)CC1)C1CCC1 ZINC001205469698 1313295153 /nfs/dbraw/zinc/29/51/53/1313295153.db2.gz UMCGAWONJOUZPM-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC001201314413 1296722776 /nfs/dbraw/zinc/72/27/76/1296722776.db2.gz UIEJLKUYQOPYOH-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490675 1313299028 /nfs/dbraw/zinc/29/90/28/1313299028.db2.gz RTMVTFRRAGMZKT-SFHVURJKSA-N 1 3 325.541 2.837 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000960335317 1296760480 /nfs/dbraw/zinc/76/04/80/1296760480.db2.gz XIBXFENDSQMMSX-WOJBJXKFSA-N 1 3 337.467 2.754 20 0 EFADHO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000924579023 1296773809 /nfs/dbraw/zinc/77/38/09/1296773809.db2.gz UCBNQEPEKPSBJH-DNVCBOLYSA-N 1 3 335.467 2.857 20 0 EFADHO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]CCCN1CCCCC1 ZINC000924579022 1296773847 /nfs/dbraw/zinc/77/38/47/1296773847.db2.gz UCBNQEPEKPSBJH-BEFAXECRSA-N 1 3 335.467 2.857 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001017263308 1313307783 /nfs/dbraw/zinc/30/77/83/1313307783.db2.gz FSQWUNPZFBCMOG-KRWDZBQOSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001017263308 1313307785 /nfs/dbraw/zinc/30/77/85/1313307785.db2.gz FSQWUNPZFBCMOG-KRWDZBQOSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(Cl)CC1 ZINC000925439778 1296838395 /nfs/dbraw/zinc/83/83/95/1296838395.db2.gz VXYNARSCWMSMSO-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001205548852 1313310043 /nfs/dbraw/zinc/31/00/43/1313310043.db2.gz KNOLMTOCPNRKPC-QRVBRYPASA-N 1 3 349.563 2.981 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545829 1313310120 /nfs/dbraw/zinc/31/01/20/1313310120.db2.gz NRXPHSMAQWFEEY-SFHVURJKSA-N 1 3 338.423 2.525 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925536398 1296847767 /nfs/dbraw/zinc/84/77/67/1296847767.db2.gz ONYOUZDMINTGCE-MOPGFXCFSA-N 1 3 345.487 2.642 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1 ZINC001235402954 1313313066 /nfs/dbraw/zinc/31/30/66/1313313066.db2.gz KIIONUXQFSTURI-ICSRJNTNSA-N 1 3 348.462 2.819 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1 ZINC001235402954 1313313070 /nfs/dbraw/zinc/31/30/70/1313313070.db2.gz KIIONUXQFSTURI-ICSRJNTNSA-N 1 3 348.462 2.819 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205559558 1313313168 /nfs/dbraw/zinc/31/31/68/1313313168.db2.gz SBKDVFAWMVJELR-GOSISDBHSA-N 1 3 333.407 2.607 20 0 EFADHO [NH3+]C[C@]1(F)CCCN(Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001205558667 1313313179 /nfs/dbraw/zinc/31/31/79/1313313179.db2.gz HYNHBUPKBZSHLS-SFHVURJKSA-N 1 3 332.398 2.936 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559559 1313313244 /nfs/dbraw/zinc/31/32/44/1313313244.db2.gz SBKDVFAWMVJELR-SFHVURJKSA-N 1 3 333.407 2.607 20 0 EFADHO FC(F)(F)C1CCN(C2CC(N[C@@H]3CC[NH2+]C34CCC4)C2)CC1 ZINC000925663212 1296867511 /nfs/dbraw/zinc/86/75/11/1296867511.db2.gz QFSFRDYUMJRMOY-YMAMQOFZSA-N 1 3 331.426 2.666 20 0 EFADHO Cc1nc2ccc(F)cn2c1Nc1cc[nH+]c(N2CCN(C)CC2)c1 ZINC001201658935 1297006551 /nfs/dbraw/zinc/00/65/51/1297006551.db2.gz NPIMFNLNUBEBEE-UHFFFAOYSA-N 1 3 340.406 2.672 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477076 1297064284 /nfs/dbraw/zinc/06/42/84/1297064284.db2.gz GIPOIYSYPUEQTP-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477076 1297064298 /nfs/dbraw/zinc/06/42/98/1297064298.db2.gz GIPOIYSYPUEQTP-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478021 1297068201 /nfs/dbraw/zinc/06/82/01/1297068201.db2.gz KDUDPHYSYKFEJL-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478021 1297068214 /nfs/dbraw/zinc/06/82/14/1297068214.db2.gz KDUDPHYSYKFEJL-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478023 1297069242 /nfs/dbraw/zinc/06/92/42/1297069242.db2.gz KDUDPHYSYKFEJL-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478023 1297069256 /nfs/dbraw/zinc/06/92/56/1297069256.db2.gz KDUDPHYSYKFEJL-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235511921 1313340659 /nfs/dbraw/zinc/34/06/59/1313340659.db2.gz HPETVYUQFCYLFG-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235511921 1313340663 /nfs/dbraw/zinc/34/06/63/1313340663.db2.gz HPETVYUQFCYLFG-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960484920 1297086143 /nfs/dbraw/zinc/08/61/43/1297086143.db2.gz BUWZVCBIMAUPOE-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960484920 1297086158 /nfs/dbraw/zinc/08/61/58/1297086158.db2.gz BUWZVCBIMAUPOE-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235514795 1313341160 /nfs/dbraw/zinc/34/11/60/1313341160.db2.gz RAADPYBVPHOWOX-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235514795 1313341163 /nfs/dbraw/zinc/34/11/63/1313341163.db2.gz RAADPYBVPHOWOX-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960486117 1297089469 /nfs/dbraw/zinc/08/94/69/1297089469.db2.gz HMDSLFNRNGGZNA-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960486117 1297089480 /nfs/dbraw/zinc/08/94/80/1297089480.db2.gz HMDSLFNRNGGZNA-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235514794 1313341470 /nfs/dbraw/zinc/34/14/70/1313341470.db2.gz RAADPYBVPHOWOX-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235514794 1313341474 /nfs/dbraw/zinc/34/14/74/1313341474.db2.gz RAADPYBVPHOWOX-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO [NH3+]C[C@@]1(O)CCCCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725549 1313345401 /nfs/dbraw/zinc/34/54/01/1313345401.db2.gz IHBMFURIKFUHFQ-NRFANRHFSA-N 1 3 340.467 2.941 20 0 EFADHO NC[C@@]1(O)CCCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725549 1313345404 /nfs/dbraw/zinc/34/54/04/1313345404.db2.gz IHBMFURIKFUHFQ-NRFANRHFSA-N 1 3 340.467 2.941 20 0 EFADHO NC[C@@]1(O)CCCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725549 1313345407 /nfs/dbraw/zinc/34/54/07/1313345407.db2.gz IHBMFURIKFUHFQ-NRFANRHFSA-N 1 3 340.467 2.941 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241980 1314462442 /nfs/dbraw/zinc/46/24/42/1314462442.db2.gz XQJMFRXEBKGRRV-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)[NH+]1CCC(N(C)C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000929471690 1297183345 /nfs/dbraw/zinc/18/33/45/1297183345.db2.gz XZNMTHNHORFTFX-FQEVSTJZSA-N 1 3 334.504 2.759 20 0 EFADHO C(CN1C[C@@H]2COC[C@]2(COCC2CCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC001235613034 1313359546 /nfs/dbraw/zinc/35/95/46/1313359546.db2.gz UXDXFHSCJKWNBA-VAMGGRTRSA-N 1 3 336.520 2.674 20 0 EFADHO C[C@@H](O)C[N@@H+]1Cc2ccccc2C2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001277957402 1313362253 /nfs/dbraw/zinc/36/22/53/1313362253.db2.gz BEFPIAWFRVXRLB-QGZVFWFLSA-N 1 3 339.483 2.745 20 0 EFADHO C[C@@H](O)C[N@H+]1Cc2ccccc2C2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001277957402 1313362257 /nfs/dbraw/zinc/36/22/57/1313362257.db2.gz BEFPIAWFRVXRLB-QGZVFWFLSA-N 1 3 339.483 2.745 20 0 EFADHO Cc1ccc(C[C@@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892135 1313363074 /nfs/dbraw/zinc/36/30/74/1313363074.db2.gz QJDBNMUGRQFRSY-OALUTQOASA-N 1 3 339.487 2.718 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H](c2ccccc2)CC1 ZINC000903892731 1313363501 /nfs/dbraw/zinc/36/35/01/1313363501.db2.gz VWURKNUSCVYLCM-RBUKOAKNSA-N 1 3 339.487 2.972 20 0 EFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895450 1313368736 /nfs/dbraw/zinc/36/87/36/1313368736.db2.gz OAFKXJYKSYASBZ-UWWQBHOKSA-N 1 3 343.450 2.720 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000960641077 1297342743 /nfs/dbraw/zinc/34/27/43/1297342743.db2.gz BSFMNYXLCSCBCU-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000960641077 1297342757 /nfs/dbraw/zinc/34/27/57/1297342757.db2.gz BSFMNYXLCSCBCU-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353900 1297348611 /nfs/dbraw/zinc/34/86/11/1297348611.db2.gz STGUCFZVBGNDTF-SJLPKXTDSA-N 1 3 325.541 2.835 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000960644020 1297352288 /nfs/dbraw/zinc/35/22/88/1297352288.db2.gz UXAMYJBOONPVFY-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000960644020 1297352302 /nfs/dbraw/zinc/35/23/02/1297352302.db2.gz UXAMYJBOONPVFY-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000960644725 1297356651 /nfs/dbraw/zinc/35/66/51/1297356651.db2.gz YMMHZPSYLIVWFM-KBAYOESNSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000960644725 1297356664 /nfs/dbraw/zinc/35/66/64/1297356664.db2.gz YMMHZPSYLIVWFM-KBAYOESNSA-N 1 3 349.544 2.820 20 0 EFADHO Clc1cccc(Cl)c1CN1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC001235691330 1313377318 /nfs/dbraw/zinc/37/73/18/1313377318.db2.gz OWHVBVVMLKAEFD-WDNDVIMCSA-N 1 3 340.298 2.576 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC000960666237 1297391476 /nfs/dbraw/zinc/39/14/76/1297391476.db2.gz AWWJIFUMHAQNCO-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC000960666237 1297391490 /nfs/dbraw/zinc/39/14/90/1297391490.db2.gz AWWJIFUMHAQNCO-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC000960666239 1297392923 /nfs/dbraw/zinc/39/29/23/1297392923.db2.gz AWWJIFUMHAQNCO-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC000960666239 1297392935 /nfs/dbraw/zinc/39/29/35/1297392935.db2.gz AWWJIFUMHAQNCO-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669219 1297400866 /nfs/dbraw/zinc/40/08/66/1297400866.db2.gz SXNPJGSPJBSSMQ-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669219 1297400871 /nfs/dbraw/zinc/40/08/71/1297400871.db2.gz SXNPJGSPJBSSMQ-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670156 1297403104 /nfs/dbraw/zinc/40/31/04/1297403104.db2.gz AHOJWPIPTXUPIT-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670156 1297403112 /nfs/dbraw/zinc/40/31/12/1297403112.db2.gz AHOJWPIPTXUPIT-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC000960669739 1297403531 /nfs/dbraw/zinc/40/35/31/1297403531.db2.gz XUCZVDWAEWVENY-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC000960669739 1297403540 /nfs/dbraw/zinc/40/35/40/1297403540.db2.gz XUCZVDWAEWVENY-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)CCC1 ZINC000960679594 1297413948 /nfs/dbraw/zinc/41/39/48/1297413948.db2.gz JFWPFBPMZFBSRN-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)CCC1 ZINC000960679594 1297413954 /nfs/dbraw/zinc/41/39/54/1297413954.db2.gz JFWPFBPMZFBSRN-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235725763 1313384520 /nfs/dbraw/zinc/38/45/20/1313384520.db2.gz UJUHAYVVBHKTLZ-WRFKIARRSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)cs1 ZINC000960683502 1297417436 /nfs/dbraw/zinc/41/74/36/1297417436.db2.gz RKKWONIQVIIJAY-ZWKOTPCHSA-N 1 3 349.544 2.820 20 0 EFADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960684019 1297419116 /nfs/dbraw/zinc/41/91/16/1297419116.db2.gz OQCCLLWBEMVPNI-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960684019 1297419120 /nfs/dbraw/zinc/41/91/20/1297419120.db2.gz OQCCLLWBEMVPNI-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1nc(Cl)c(CCN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001205981563 1313385781 /nfs/dbraw/zinc/38/57/81/1313385781.db2.gz FBQLSVLUXIFITR-PWSUYJOCSA-N 1 3 331.291 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851226 1313387147 /nfs/dbraw/zinc/38/71/47/1313387147.db2.gz WOHOLVFQISETQX-ARFHVFGLSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851226 1313387150 /nfs/dbraw/zinc/38/71/50/1313387150.db2.gz WOHOLVFQISETQX-ARFHVFGLSA-N 1 3 332.492 2.799 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCC(C3CC[NH2+]CC3)CC2)c1 ZINC001235701078 1313379769 /nfs/dbraw/zinc/37/97/69/1313379769.db2.gz FUYFGNNACHIYIY-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846232 1313379964 /nfs/dbraw/zinc/37/99/64/1313379964.db2.gz FVEOMJZFOHLNCX-CVEARBPZSA-N 1 3 332.492 2.799 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846232 1313379967 /nfs/dbraw/zinc/37/99/67/1313379967.db2.gz FVEOMJZFOHLNCX-CVEARBPZSA-N 1 3 332.492 2.799 20 0 EFADHO COC(=O)c1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)c(OC)c1 ZINC001235701982 1313380344 /nfs/dbraw/zinc/38/03/44/1313380344.db2.gz PTHKBYRORIVNOH-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960706422 1297448303 /nfs/dbraw/zinc/44/83/03/1297448303.db2.gz FSYZMUYCIQYZBS-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960706422 1297448307 /nfs/dbraw/zinc/44/83/07/1297448307.db2.gz FSYZMUYCIQYZBS-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000356881188 1313380428 /nfs/dbraw/zinc/38/04/28/1313380428.db2.gz GRSRHUUZBMJHFK-SJORKVTESA-N 1 3 326.444 2.901 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000356881186 1313380624 /nfs/dbraw/zinc/38/06/24/1313380624.db2.gz GRSRHUUZBMJHFK-IRXDYDNUSA-N 1 3 326.444 2.901 20 0 EFADHO Cc1nc(Br)ccc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206012555 1313391039 /nfs/dbraw/zinc/39/10/39/1313391039.db2.gz MJNDNUVADQEPIT-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO C[N@@H+](Cc1cccnc1)CC1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000960769470 1297521619 /nfs/dbraw/zinc/52/16/19/1297521619.db2.gz OXNIYJYPXQQNON-INIZCTEOSA-N 1 3 340.427 2.684 20 0 EFADHO C[N@H+](Cc1cccnc1)CC1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000960769470 1297521625 /nfs/dbraw/zinc/52/16/25/1297521625.db2.gz OXNIYJYPXQQNON-INIZCTEOSA-N 1 3 340.427 2.684 20 0 EFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235793544 1313397225 /nfs/dbraw/zinc/39/72/25/1313397225.db2.gz YPTIESCYEMFCJG-MOPGFXCFSA-N 1 3 329.875 2.856 20 0 EFADHO Brc1cccc([C@H]2CN(C[C@@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235794984 1313397291 /nfs/dbraw/zinc/39/72/91/1313397291.db2.gz MVNFXMHDEWAIKQ-JKSUJKDBSA-N 1 3 338.293 2.538 20 0 EFADHO Cc1ccc([C@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903910313 1313397439 /nfs/dbraw/zinc/39/74/39/1313397439.db2.gz LLGRZVMQRARNOZ-ZWKOTPCHSA-N 1 3 325.460 2.501 20 0 EFADHO [NH3+]CCCCCCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235791611 1313397454 /nfs/dbraw/zinc/39/74/54/1313397454.db2.gz AJVGCEOPACERAJ-INIZCTEOSA-N 1 3 340.309 2.915 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001211251070 1314464172 /nfs/dbraw/zinc/46/41/72/1314464172.db2.gz ZITQIWBGQFVXDG-DHINHOHASA-N 1 3 335.879 2.695 20 0 EFADHO CC(C)(C)c1ccc(CN2CCN(CC34CC([NH3+])(C3)C4)CC2)cc1 ZINC001235847385 1313408806 /nfs/dbraw/zinc/40/88/06/1313408806.db2.gz HIMGINLTMXBVAP-UHFFFAOYSA-N 1 3 327.516 2.983 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001017554364 1313411132 /nfs/dbraw/zinc/41/11/32/1313411132.db2.gz YHIDFYGMVYNRHG-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001017554364 1313411135 /nfs/dbraw/zinc/41/11/35/1313411135.db2.gz YHIDFYGMVYNRHG-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001017554364 1313411138 /nfs/dbraw/zinc/41/11/38/1313411138.db2.gz YHIDFYGMVYNRHG-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001017554364 1313411141 /nfs/dbraw/zinc/41/11/41/1313411141.db2.gz YHIDFYGMVYNRHG-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1CC[C@H]1CCC[NH2+]C1 ZINC001235867649 1313412608 /nfs/dbraw/zinc/41/26/08/1313412608.db2.gz PULRPLRFZHNDJQ-APWZRJJASA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC000960844040 1297668945 /nfs/dbraw/zinc/66/89/45/1297668945.db2.gz MDIZTDFPPDKIQJ-RBUKOAKNSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)N(C)C ZINC000960844023 1297670896 /nfs/dbraw/zinc/67/08/96/1297670896.db2.gz LTYITLSQYJZGFJ-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)N(C)C ZINC000960844023 1297670899 /nfs/dbraw/zinc/67/08/99/1297670899.db2.gz LTYITLSQYJZGFJ-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CCC(CC)C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169851 1313414365 /nfs/dbraw/zinc/41/43/65/1313414365.db2.gz RTMVTFRRAGMZKT-GOSISDBHSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC000960859004 1297709127 /nfs/dbraw/zinc/70/91/27/1297709127.db2.gz AVSUZPDHZZVPPS-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC000960859004 1297709134 /nfs/dbraw/zinc/70/91/34/1297709134.db2.gz AVSUZPDHZZVPPS-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC000960859943 1297711055 /nfs/dbraw/zinc/71/10/55/1297711055.db2.gz CLLHSGGTZVKNKI-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC000960859943 1297711068 /nfs/dbraw/zinc/71/10/68/1297711068.db2.gz CLLHSGGTZVKNKI-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC000960863793 1297718350 /nfs/dbraw/zinc/71/83/50/1297718350.db2.gz NEZXSDBNKUHPDW-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC000960863793 1297718361 /nfs/dbraw/zinc/71/83/61/1297718361.db2.gz NEZXSDBNKUHPDW-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960867016 1297725379 /nfs/dbraw/zinc/72/53/79/1297725379.db2.gz ULSUJAKZIFKIFE-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960867016 1297725386 /nfs/dbraw/zinc/72/53/86/1297725386.db2.gz ULSUJAKZIFKIFE-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960867064 1297725441 /nfs/dbraw/zinc/72/54/41/1297725441.db2.gz UTHDPGNREYNLMZ-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960867064 1297725453 /nfs/dbraw/zinc/72/54/53/1297725453.db2.gz UTHDPGNREYNLMZ-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867439 1297725664 /nfs/dbraw/zinc/72/56/64/1297725664.db2.gz XAADTLPNNGKWQE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867439 1297725677 /nfs/dbraw/zinc/72/56/77/1297725677.db2.gz XAADTLPNNGKWQE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C[C@H]3CCC[NH2+]C3)C1)C2 ZINC001236007579 1313431013 /nfs/dbraw/zinc/43/10/13/1313431013.db2.gz WIAZUCQYOPVOCF-YRISNDGFSA-N 1 3 342.483 2.581 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1 ZINC001206273888 1313429416 /nfs/dbraw/zinc/42/94/16/1313429416.db2.gz CKGDNSMOVVZVCS-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274951 1313429431 /nfs/dbraw/zinc/42/94/31/1313429431.db2.gz NHRJHCZDPGPNMP-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[NH2+]CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206275607 1313429887 /nfs/dbraw/zinc/42/98/87/1313429887.db2.gz WTYHMTMPJHYENX-LJQANCHMSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1 ZINC001206274972 1313430164 /nfs/dbraw/zinc/43/01/64/1313430164.db2.gz NJJOVQXFJWUNNU-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000960908985 1297790999 /nfs/dbraw/zinc/79/09/99/1297790999.db2.gz JCUSCCOOCQERDK-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000960908985 1297791008 /nfs/dbraw/zinc/79/10/08/1297791008.db2.gz JCUSCCOOCQERDK-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914638 1297801877 /nfs/dbraw/zinc/80/18/77/1297801877.db2.gz UYHLZALBHFWENG-WMZOPIPTSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914638 1297801892 /nfs/dbraw/zinc/80/18/92/1297801892.db2.gz UYHLZALBHFWENG-WMZOPIPTSA-N 1 3 340.471 2.945 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](N)CC(F)F)ccc1OCC(F)(F)F ZINC000903922987 1313424827 /nfs/dbraw/zinc/42/48/27/1313424827.db2.gz IVPJMGYBLHRYAC-JTQLQIEISA-N 1 3 342.308 2.708 20 0 EFADHO [NH3+]CC1CN([C@H]2CCCN(Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001236080181 1313439166 /nfs/dbraw/zinc/43/91/66/1313439166.db2.gz SEHLMSCGGFERPS-HNNXBMFYSA-N 1 3 332.879 2.676 20 0 EFADHO CCCc1ccc(C[N@@H+]2C[C@H]3CNCC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236037635 1313432616 /nfs/dbraw/zinc/43/26/16/1313432616.db2.gz AQZIBQQBXOVQIA-UYAOXDASSA-N 1 3 330.472 2.614 20 0 EFADHO CCCc1ccc(C[N@H+]2C[C@H]3CNCC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236037635 1313432619 /nfs/dbraw/zinc/43/26/19/1313432619.db2.gz AQZIBQQBXOVQIA-UYAOXDASSA-N 1 3 330.472 2.614 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C4CC4)cc3)C[C@H]1CNCC2 ZINC001236040653 1313432724 /nfs/dbraw/zinc/43/27/24/1313432724.db2.gz LMAZJCBIIDMDCB-UYAOXDASSA-N 1 3 328.456 2.539 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C4CC4)cc3)C[C@H]1CNCC2 ZINC001236040653 1313432728 /nfs/dbraw/zinc/43/27/28/1313432728.db2.gz LMAZJCBIIDMDCB-UYAOXDASSA-N 1 3 328.456 2.539 20 0 EFADHO CCOC(=O)[C@]12CN(CCc3ccc(C(C)C)cc3)C[C@H]1C[NH2+]CC2 ZINC001236038512 1313432863 /nfs/dbraw/zinc/43/28/63/1313432863.db2.gz QIFGBCCHZJNBIY-TZIWHRDSSA-N 1 3 344.499 2.827 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc(C(C)C)c3)C[C@H]1CNCC2 ZINC001236041260 1313433405 /nfs/dbraw/zinc/43/34/05/1313433405.db2.gz SVFNPBUINIFNRP-UYAOXDASSA-N 1 3 330.472 2.785 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc(C(C)C)c3)C[C@H]1CNCC2 ZINC001236041260 1313433409 /nfs/dbraw/zinc/43/34/09/1313433409.db2.gz SVFNPBUINIFNRP-UYAOXDASSA-N 1 3 330.472 2.785 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1)CC(C)(C)C ZINC001206307917 1313433857 /nfs/dbraw/zinc/43/38/57/1313433857.db2.gz QRINDXYZGIEKDF-YVMONPNESA-N 1 3 329.916 2.545 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001488876941 1297854579 /nfs/dbraw/zinc/85/45/79/1297854579.db2.gz YJURIKDGVFYEPG-IYARVYRRSA-N 1 3 340.471 2.562 20 0 EFADHO CCCCCOc1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073421 1313437602 /nfs/dbraw/zinc/43/76/02/1313437602.db2.gz MYUAGWTVLVZTGU-IBGZPJMESA-N 1 3 331.504 2.863 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610832 1313438076 /nfs/dbraw/zinc/43/80/76/1313438076.db2.gz IZTKJWYQGZAPGD-HCXYKTFWSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610832 1313438079 /nfs/dbraw/zinc/43/80/79/1313438079.db2.gz IZTKJWYQGZAPGD-HCXYKTFWSA-N 1 3 335.536 2.686 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(F)c(-c2ccccc2)c1 ZINC001236081584 1313440038 /nfs/dbraw/zinc/44/00/38/1313440038.db2.gz QXLLYJRWHNTGMC-UHFFFAOYSA-N 1 3 327.447 2.830 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000903932991 1313440336 /nfs/dbraw/zinc/44/03/36/1313440336.db2.gz JGFBOLQXHKIUJO-MSOLQXFVSA-N 1 3 331.508 2.995 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC001236097706 1313441100 /nfs/dbraw/zinc/44/11/00/1313441100.db2.gz MGOPTUDFJXCUKO-YTQUADARSA-N 1 3 330.472 2.797 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960978444 1297939505 /nfs/dbraw/zinc/93/95/05/1297939505.db2.gz MNNVHQYZIKPYDR-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960978444 1297939518 /nfs/dbraw/zinc/93/95/18/1297939518.db2.gz MNNVHQYZIKPYDR-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948246395 1297953712 /nfs/dbraw/zinc/95/37/12/1297953712.db2.gz XHDNEVOOLLQIAK-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948246395 1297953761 /nfs/dbraw/zinc/95/37/61/1297953761.db2.gz XHDNEVOOLLQIAK-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948246399 1297953875 /nfs/dbraw/zinc/95/38/75/1297953875.db2.gz XHDNEVOOLLQIAK-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948246399 1297953887 /nfs/dbraw/zinc/95/38/87/1297953887.db2.gz XHDNEVOOLLQIAK-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO c1nc2n(c1CN1CCC[C@@H]1c1c[nH]c3ccccc31)CC[NH2+]CC2 ZINC001236192678 1313454008 /nfs/dbraw/zinc/45/40/08/1313454008.db2.gz PFIXVQYZCNOAHO-LJQANCHMSA-N 1 3 335.455 2.847 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000961028333 1298027886 /nfs/dbraw/zinc/02/78/86/1298027886.db2.gz NIIFLKUQOGQMMM-CTWPCTMYSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000961028333 1298027894 /nfs/dbraw/zinc/02/78/94/1298027894.db2.gz NIIFLKUQOGQMMM-CTWPCTMYSA-N 1 3 335.536 2.831 20 0 EFADHO CCOC(=O)C1(CC)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC001236265772 1313462384 /nfs/dbraw/zinc/46/23/84/1313462384.db2.gz MBCWEANSGPAOPF-UHFFFAOYSA-N 1 3 330.472 2.888 20 0 EFADHO CN(C)Cc1ccsc1C(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000948584056 1298033418 /nfs/dbraw/zinc/03/34/18/1298033418.db2.gz LJSLTQWGDJTDBW-UHFFFAOYSA-N 1 3 335.517 2.758 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961031784 1298036520 /nfs/dbraw/zinc/03/65/20/1298036520.db2.gz ZWZHPRBKLWKMGG-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961031784 1298036525 /nfs/dbraw/zinc/03/65/25/1298036525.db2.gz ZWZHPRBKLWKMGG-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC2CC2)c1 ZINC001049907009 1313465730 /nfs/dbraw/zinc/46/57/30/1313465730.db2.gz BFYILDOVNHITCV-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)s1 ZINC000961036091 1298044910 /nfs/dbraw/zinc/04/49/10/1298044910.db2.gz QLRQEGWSIXTHKS-SFHVURJKSA-N 1 3 349.544 2.884 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)s1 ZINC000961036091 1298044917 /nfs/dbraw/zinc/04/49/17/1298044917.db2.gz QLRQEGWSIXTHKS-SFHVURJKSA-N 1 3 349.544 2.884 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948775679 1298064238 /nfs/dbraw/zinc/06/42/38/1298064238.db2.gz OHOSGRCJUSDUBN-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948775679 1298064250 /nfs/dbraw/zinc/06/42/50/1298064250.db2.gz OHOSGRCJUSDUBN-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211269930 1314466840 /nfs/dbraw/zinc/46/68/40/1314466840.db2.gz VWBVPVPXDVFTGU-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)(C)OC(=O)c1ccc(N2CCN(CCCCC[NH3+])CC2)cc1 ZINC001236242116 1313460006 /nfs/dbraw/zinc/46/00/06/1313460006.db2.gz XLKMJQCYAXOISC-UHFFFAOYSA-N 1 3 347.503 2.893 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000948920112 1298088557 /nfs/dbraw/zinc/08/85/57/1298088557.db2.gz XBSBDMDNTDXMSZ-XUVXKRRUSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000948920112 1298088567 /nfs/dbraw/zinc/08/85/67/1298088567.db2.gz XBSBDMDNTDXMSZ-XUVXKRRUSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H]1CN(Cc2ccccc2)CCN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236253057 1313461015 /nfs/dbraw/zinc/46/10/15/1313461015.db2.gz JLEUTBHJFVRVMW-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CCCCN1CCc2ccccc2[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948981332 1298092994 /nfs/dbraw/zinc/09/29/94/1298092994.db2.gz AXNNJERIVAHKML-LJQANCHMSA-N 1 3 341.499 2.598 20 0 EFADHO CCCCN1CCc2ccccc2[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000948981331 1298094039 /nfs/dbraw/zinc/09/40/39/1298094039.db2.gz AXNNJERIVAHKML-IBGZPJMESA-N 1 3 341.499 2.598 20 0 EFADHO Brc1ccc2[nH]nc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236319879 1313468371 /nfs/dbraw/zinc/46/83/71/1313468371.db2.gz GHIKIPDJRCHLOA-TXEJJXNPSA-N 1 3 349.276 2.757 20 0 EFADHO Brc1ccc2n[nH]c(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236319879 1313468374 /nfs/dbraw/zinc/46/83/74/1313468374.db2.gz GHIKIPDJRCHLOA-TXEJJXNPSA-N 1 3 349.276 2.757 20 0 EFADHO COc1cccc(Br)c1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320609 1313469194 /nfs/dbraw/zinc/46/91/94/1313469194.db2.gz JURLXGIAZNQVIF-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CC2CC2)c1 ZINC001049907009 1313465732 /nfs/dbraw/zinc/46/57/32/1313465732.db2.gz BFYILDOVNHITCV-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO COC(=O)c1ccc2[nH]cc(CN3CCCC[C@@](C)(C[NH3+])C3)c2c1 ZINC001206556875 1313475623 /nfs/dbraw/zinc/47/56/23/1313475623.db2.gz YYUZFHZANRVHOK-IBGZPJMESA-N 1 3 329.444 2.905 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183288 1298265910 /nfs/dbraw/zinc/26/59/10/1298265910.db2.gz MFKHIVYTIDFSKE-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183288 1298265914 /nfs/dbraw/zinc/26/59/14/1298265914.db2.gz MFKHIVYTIDFSKE-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049918882 1313484700 /nfs/dbraw/zinc/48/47/00/1313484700.db2.gz NFSDICVFTFVMLZ-KSZLIROESA-N 1 3 339.499 2.676 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049921154 1313487069 /nfs/dbraw/zinc/48/70/69/1313487069.db2.gz VJZLFLKUPYZQKK-VQTJNVASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049921154 1313487072 /nfs/dbraw/zinc/48/70/72/1313487072.db2.gz VJZLFLKUPYZQKK-VQTJNVASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001049921157 1313487242 /nfs/dbraw/zinc/48/72/42/1313487242.db2.gz VJZLFLKUPYZQKK-WOJBJXKFSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049921157 1313487243 /nfs/dbraw/zinc/48/72/43/1313487243.db2.gz VJZLFLKUPYZQKK-WOJBJXKFSA-N 1 3 341.499 2.837 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001206641774 1313487279 /nfs/dbraw/zinc/48/72/79/1313487279.db2.gz CAYSPHKKQSEGSL-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO Cc1ccc(O[C@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC001236533814 1313489417 /nfs/dbraw/zinc/48/94/17/1313489417.db2.gz BLGAXSZXRFDFIA-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO CN(Cc1ccc2n1CCNC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236583081 1313493881 /nfs/dbraw/zinc/49/38/81/1313493881.db2.gz IXSZJLXFUHOVOG-HXUWFJFHSA-N 1 3 338.499 2.688 20 0 EFADHO CN(Cc1ccc2n1CCNC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236583081 1313493882 /nfs/dbraw/zinc/49/38/82/1313493882.db2.gz IXSZJLXFUHOVOG-HXUWFJFHSA-N 1 3 338.499 2.688 20 0 EFADHO Nc1ccc2c(c1)[nH]nc2CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206760739 1313502695 /nfs/dbraw/zinc/50/26/95/1313502695.db2.gz LATURFKSMSTUKV-UHFFFAOYSA-N 1 3 335.455 2.638 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262814 1298446105 /nfs/dbraw/zinc/44/61/05/1298446105.db2.gz QBSLKTHFNXOEJL-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262814 1298446112 /nfs/dbraw/zinc/44/61/12/1298446112.db2.gz QBSLKTHFNXOEJL-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291767 1298507734 /nfs/dbraw/zinc/50/77/34/1298507734.db2.gz IBUXQIGYNQVJJI-ZWKOTPCHSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291767 1298507745 /nfs/dbraw/zinc/50/77/45/1298507745.db2.gz IBUXQIGYNQVJJI-ZWKOTPCHSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295090 1298514600 /nfs/dbraw/zinc/51/46/00/1298514600.db2.gz XCLWPOLEELQLMO-PMACEKPBSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295090 1298514612 /nfs/dbraw/zinc/51/46/12/1298514612.db2.gz XCLWPOLEELQLMO-PMACEKPBSA-N 1 3 343.515 2.942 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767743 1313518547 /nfs/dbraw/zinc/51/85/47/1313518547.db2.gz RTEOKDULKMQKIA-KDURUIRLSA-N 1 3 343.515 2.880 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cccc4occc43)CC2)CC1 ZINC001236737587 1313519212 /nfs/dbraw/zinc/51/92/12/1313519212.db2.gz GBHBERSECKICDQ-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO Fc1ccc2oc(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)cc2c1 ZINC000903980072 1313529513 /nfs/dbraw/zinc/52/95/13/1313529513.db2.gz FXCNFXCOUKOTFM-HDICACEKSA-N 1 3 343.446 2.973 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375002 1298642522 /nfs/dbraw/zinc/64/25/22/1298642522.db2.gz NMNMQJBSXKSFKD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375002 1298642532 /nfs/dbraw/zinc/64/25/32/1298642532.db2.gz NMNMQJBSXKSFKD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376298 1298644850 /nfs/dbraw/zinc/64/48/50/1298644850.db2.gz RLKFFMKLXBYXBW-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376298 1298644858 /nfs/dbraw/zinc/64/48/58/1298644858.db2.gz RLKFFMKLXBYXBW-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000961410794 1298704391 /nfs/dbraw/zinc/70/43/91/1298704391.db2.gz IVENEPAUTIMEEI-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000961410794 1298704401 /nfs/dbraw/zinc/70/44/01/1298704401.db2.gz IVENEPAUTIMEEI-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410241 1298706175 /nfs/dbraw/zinc/70/61/75/1298706175.db2.gz FSOWJBQEWPBJFQ-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410241 1298706184 /nfs/dbraw/zinc/70/61/84/1298706184.db2.gz FSOWJBQEWPBJFQ-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCCF)C2)CC1)N(C)C ZINC000961413034 1298710675 /nfs/dbraw/zinc/71/06/75/1298710675.db2.gz XHGHTJSJNZHRBY-MSOLQXFVSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCCF)C2)CC1)N(C)C ZINC000961413034 1298710683 /nfs/dbraw/zinc/71/06/83/1298710683.db2.gz XHGHTJSJNZHRBY-MSOLQXFVSA-N 1 3 341.515 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001206890283 1313540498 /nfs/dbraw/zinc/54/04/98/1313540498.db2.gz JQTQIPHDIJIGRR-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001206890287 1313540726 /nfs/dbraw/zinc/54/07/26/1313540726.db2.gz JYMZUVDAPMYELO-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001206890278 1313540947 /nfs/dbraw/zinc/54/09/47/1313540947.db2.gz JNSDLOCETFCUEC-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001206890404 1313541093 /nfs/dbraw/zinc/54/10/93/1313541093.db2.gz QBQWVZJGKPQAGZ-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001206890554 1313541105 /nfs/dbraw/zinc/54/11/05/1313541105.db2.gz XMKYNAKRIYOFCG-YFHOEESVSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439164 1298749317 /nfs/dbraw/zinc/74/93/17/1298749317.db2.gz FSALTPJTRSSOBW-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439164 1298749325 /nfs/dbraw/zinc/74/93/25/1298749325.db2.gz FSALTPJTRSSOBW-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)N1CCCC1 ZINC000961466295 1298770711 /nfs/dbraw/zinc/77/07/11/1298770711.db2.gz RBOOSBKFIONTQA-BWTSREIZSA-N 1 3 345.531 2.798 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)N1CCCC1 ZINC000961466295 1298770718 /nfs/dbraw/zinc/77/07/18/1298770718.db2.gz RBOOSBKFIONTQA-BWTSREIZSA-N 1 3 345.531 2.798 20 0 EFADHO CCN(CC[NH+]1CCCCC1)Cc1cccc(N2CCN(C)CC2)c1 ZINC001236889867 1313547087 /nfs/dbraw/zinc/54/70/87/1313547087.db2.gz JDHKLCJABFPYOM-UHFFFAOYSA-N 1 3 344.547 2.746 20 0 EFADHO C[NH+](C)CCN(Cc1ccc([O-])c(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236930482 1313555206 /nfs/dbraw/zinc/55/52/06/1313555206.db2.gz BAGNWCSNDIDHHG-CQSZACIVSA-N 1 3 345.409 2.527 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206928688 1313557346 /nfs/dbraw/zinc/55/73/46/1313557346.db2.gz FODJTHIBXGETAV-UHFFFAOYSA-N 1 3 335.536 2.881 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236975189 1313564058 /nfs/dbraw/zinc/56/40/58/1313564058.db2.gz HKQPPOXREVSNEJ-IRXDYDNUSA-N 1 3 341.421 2.735 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236975189 1313564060 /nfs/dbraw/zinc/56/40/60/1313564060.db2.gz HKQPPOXREVSNEJ-IRXDYDNUSA-N 1 3 341.421 2.735 20 0 EFADHO CCCC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206949174 1313567263 /nfs/dbraw/zinc/56/72/63/1313567263.db2.gz SVKDAXNFLGVDQH-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001206953328 1313569268 /nfs/dbraw/zinc/56/92/68/1313569268.db2.gz CEFYJNFWMGUIEH-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206952605 1313569431 /nfs/dbraw/zinc/56/94/31/1313569431.db2.gz WNGGFYSCXIFVFO-SFHVURJKSA-N 1 3 341.515 2.829 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001206952327 1313569638 /nfs/dbraw/zinc/56/96/38/1313569638.db2.gz KMPWVCLYNWUSMB-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001206954531 1313569978 /nfs/dbraw/zinc/56/99/78/1313569978.db2.gz MCPQHLCHBVMUHP-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC001278048384 1313580861 /nfs/dbraw/zinc/58/08/61/1313580861.db2.gz NUGHKLWTQSTFFK-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO CN(C)CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC001278048384 1313580865 /nfs/dbraw/zinc/58/08/65/1313580865.db2.gz NUGHKLWTQSTFFK-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO C[NH+]1CCN(c2cc(Br)ccc2CN2CCCC2)CC1 ZINC001237090835 1313584713 /nfs/dbraw/zinc/58/47/13/1313584713.db2.gz CFYWOBNJQXAFJT-UHFFFAOYSA-N 1 3 338.293 2.797 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001490668688 1299065561 /nfs/dbraw/zinc/06/55/61/1299065561.db2.gz RNSZBQWCKXZDNS-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO FC(F)(F)CCCN1CC2(C1)CCCN(CC[NH+]1CCCC1)C2 ZINC001278055522 1313589685 /nfs/dbraw/zinc/58/96/85/1313589685.db2.gz GJXZOJMZJSWNJS-UHFFFAOYSA-N 1 3 333.442 2.823 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(CC[NH+]3CCCC3)C[C@H](C1)O2 ZINC001278055692 1313590633 /nfs/dbraw/zinc/59/06/33/1313590633.db2.gz JCRUEGBHFCHVMZ-AQNXPRMDSA-N 1 3 337.552 2.684 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110616534 1299161543 /nfs/dbraw/zinc/16/15/43/1299161543.db2.gz JWJGHJQDZKGVPP-TWMKSMIVSA-N 1 3 327.488 2.578 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110616534 1299161547 /nfs/dbraw/zinc/16/15/47/1299161547.db2.gz JWJGHJQDZKGVPP-TWMKSMIVSA-N 1 3 327.488 2.578 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]C/C=C/Cl)C2CC2)c1 ZINC001490740758 1299177610 /nfs/dbraw/zinc/17/76/10/1299177610.db2.gz FXPPZWBDGDWPQK-QVNOTHCHSA-N 1 3 335.879 2.599 20 0 EFADHO c1c[nH]c(CN2CCC[C@]3(CCC[N@@H+](CCN4CCCC4)C3)C2)c1 ZINC001278060402 1313597602 /nfs/dbraw/zinc/59/76/02/1313597602.db2.gz RRGUUYNWSSIBFA-FQEVSTJZSA-N 1 3 330.520 2.789 20 0 EFADHO c1c[nH]c(CN2CCC[C@]3(CCC[N@H+](CCN4CCCC4)C3)C2)c1 ZINC001278060402 1313597606 /nfs/dbraw/zinc/59/76/06/1313597606.db2.gz RRGUUYNWSSIBFA-FQEVSTJZSA-N 1 3 330.520 2.789 20 0 EFADHO C[C@H]1Cc2cccc(Br)c2CN1CC[C@H]1C[NH2+]CCO1 ZINC001237192722 1313602567 /nfs/dbraw/zinc/60/25/67/1313602567.db2.gz YJODRVZPWSRFTO-JSGCOSHPSA-N 1 3 339.277 2.574 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000962274284 1299537715 /nfs/dbraw/zinc/53/77/15/1299537715.db2.gz SIDPBGAPQMKWNT-HCXYKTFWSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000962274284 1299537722 /nfs/dbraw/zinc/53/77/22/1299537722.db2.gz SIDPBGAPQMKWNT-HCXYKTFWSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)cs1 ZINC000962305235 1299565257 /nfs/dbraw/zinc/56/52/57/1299565257.db2.gz FBPHDTLYQGVHLC-BZOOQXSSSA-N 1 3 335.517 2.525 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000962305679 1299566445 /nfs/dbraw/zinc/56/64/45/1299566445.db2.gz KZEBNFJNIKLHGN-IPJUCJBFSA-N 1 3 347.547 2.926 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000962305692 1299566865 /nfs/dbraw/zinc/56/68/65/1299566865.db2.gz LREBPEAUIJTNKA-MDCZIUGASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CC(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000962308192 1299570407 /nfs/dbraw/zinc/57/04/07/1299570407.db2.gz AZFMAVGPDZPKLP-UHFFFAOYSA-N 1 3 343.515 2.711 20 0 EFADHO CCc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000962310530 1299573452 /nfs/dbraw/zinc/57/34/52/1299573452.db2.gz XWAFKYDZZSQLSO-PBPGXSGUSA-N 1 3 343.515 2.575 20 0 EFADHO C[NH+](C)CCN1CCN(C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207191691 1313633854 /nfs/dbraw/zinc/63/38/54/1313633854.db2.gz NCDKBLUXZSGUDO-FUHWJXTLSA-N 1 3 349.906 2.539 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2cccc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237432439 1313643115 /nfs/dbraw/zinc/64/31/15/1313643115.db2.gz UPYJFMPDYFQKEE-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2ccc(Cl)cc2C)CCC12C[NH2+]C2 ZINC001237428762 1313643253 /nfs/dbraw/zinc/64/32/53/1313643253.db2.gz CWBCQSMYZQMTBS-MRXNPFEDSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2coc3ccc(F)cc23)CCC12C[NH2+]C2 ZINC001237429406 1313643428 /nfs/dbraw/zinc/64/34/28/1313643428.db2.gz HNUJIKXYEWZIML-MRXNPFEDSA-N 1 3 346.402 2.547 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2c3ccoc3ccc2F)CCC12C[NH2+]C2 ZINC001237435629 1313643741 /nfs/dbraw/zinc/64/37/41/1313643741.db2.gz JZSODQFMDJPITP-HNNXBMFYSA-N 1 3 346.402 2.547 20 0 EFADHO Cc1ccc(O[C@H]2C[C@@H]3CN(CC(C)(C)C[NH+](C)C)CCN3C2)cc1 ZINC001207282999 1313651837 /nfs/dbraw/zinc/65/18/37/1313651837.db2.gz ZYXTYFYYMHXWQU-QUCCMNQESA-N 1 3 345.531 2.720 20 0 EFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(C(C)C)c3)CC[C@@H]2C1 ZINC001237458877 1313649000 /nfs/dbraw/zinc/64/90/00/1313649000.db2.gz QFWDOFOLIUZPEF-NHCUHLMSSA-N 1 3 346.515 2.979 20 0 EFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc(C(C)C)c3)CC[C@@H]2C1 ZINC001237458877 1313649003 /nfs/dbraw/zinc/64/90/03/1313649003.db2.gz QFWDOFOLIUZPEF-NHCUHLMSSA-N 1 3 346.515 2.979 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001207278940 1313650028 /nfs/dbraw/zinc/65/00/28/1313650028.db2.gz HIYOZOXCZYMCAA-CVEARBPZSA-N 1 3 339.524 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001207278940 1313650029 /nfs/dbraw/zinc/65/00/29/1313650029.db2.gz HIYOZOXCZYMCAA-CVEARBPZSA-N 1 3 339.524 2.906 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001207281021 1313650772 /nfs/dbraw/zinc/65/07/72/1313650772.db2.gz YGPBJDHNMPRQQY-UHFFFAOYSA-N 1 3 347.503 2.796 20 0 EFADHO CN(C)CC(C)(C)C[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207280099 1313650829 /nfs/dbraw/zinc/65/08/29/1313650829.db2.gz SIHMKDSIPGVGTQ-HNNXBMFYSA-N 1 3 327.513 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207280099 1313650832 /nfs/dbraw/zinc/65/08/32/1313650832.db2.gz SIHMKDSIPGVGTQ-HNNXBMFYSA-N 1 3 327.513 2.906 20 0 EFADHO C[C@@H](c1ccc(Br)cc1)N1CCN(CCCC[NH3+])CC1 ZINC001237467146 1313651030 /nfs/dbraw/zinc/65/10/30/1313651030.db2.gz ZPFIWPDRTAQIRE-AWEZNQCLSA-N 1 3 340.309 2.867 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001207280306 1313651106 /nfs/dbraw/zinc/65/11/06/1313651106.db2.gz ULWROCWNQUMZDN-UHFFFAOYSA-N 1 3 347.503 2.938 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)Cc3nc[nH]c3C)C2)c(C)s1 ZINC000962603356 1299864450 /nfs/dbraw/zinc/86/44/50/1299864450.db2.gz SVMCQGWLZOHDLW-UHFFFAOYSA-N 1 3 346.500 2.624 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000962603942 1299864686 /nfs/dbraw/zinc/86/46/86/1299864686.db2.gz WPSNMOJWQRWMJV-MXWWQKGMSA-N 1 3 340.471 2.815 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000962809721 1300088170 /nfs/dbraw/zinc/08/81/70/1300088170.db2.gz RUFOTEDFHHHMIT-KVZIAJEVSA-N 1 3 347.547 2.926 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018066495 1313668809 /nfs/dbraw/zinc/66/88/09/1313668809.db2.gz HQNVMDSHCBQLNC-KDURUIRLSA-N 1 3 329.488 2.693 20 0 EFADHO C[NH+]1CCC(CN2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001207399319 1313675920 /nfs/dbraw/zinc/67/59/20/1313675920.db2.gz IDWZABKNGUJQLS-CALCHBBNSA-N 1 3 337.508 2.802 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000963156508 1300377826 /nfs/dbraw/zinc/37/78/26/1300377826.db2.gz HDVQGMSZGQEJCH-ACBHZAAOSA-N 1 3 347.478 2.779 20 0 EFADHO C[NH+]1CCC(CCN2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001207489339 1313698959 /nfs/dbraw/zinc/69/89/59/1313698959.db2.gz ZIURMPICVZETJU-QGZVFWFLSA-N 1 3 347.478 2.752 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CCC3CC3)C2)CCC1 ZINC000963314419 1300577548 /nfs/dbraw/zinc/57/75/48/1300577548.db2.gz LDAFQRVLIHKDHF-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CCC3CC3)C2)CCC1 ZINC000963314419 1300577557 /nfs/dbraw/zinc/57/75/57/1300577557.db2.gz LDAFQRVLIHKDHF-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314701 1300578350 /nfs/dbraw/zinc/57/83/50/1300578350.db2.gz OKFRXOSGXXAYHD-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314701 1300578353 /nfs/dbraw/zinc/57/83/53/1300578353.db2.gz OKFRXOSGXXAYHD-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315191 1300579980 /nfs/dbraw/zinc/57/99/80/1300579980.db2.gz RHIZGYLEJVLBHG-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315191 1300579989 /nfs/dbraw/zinc/57/99/89/1300579989.db2.gz RHIZGYLEJVLBHG-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC2CC2)C1)C1CCC1 ZINC000963315753 1300583416 /nfs/dbraw/zinc/58/34/16/1300583416.db2.gz XRYICEVROLAGDI-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1)C1CCC1 ZINC000963315753 1300583428 /nfs/dbraw/zinc/58/34/28/1300583428.db2.gz XRYICEVROLAGDI-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365712 1300699722 /nfs/dbraw/zinc/69/97/22/1300699722.db2.gz HFIQVBHGROTBNJ-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365712 1300699731 /nfs/dbraw/zinc/69/97/31/1300699731.db2.gz HFIQVBHGROTBNJ-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)CC1 ZINC000963384984 1300742444 /nfs/dbraw/zinc/74/24/44/1300742444.db2.gz YUHMIHRMIPKURC-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)CC1 ZINC000963384984 1300742452 /nfs/dbraw/zinc/74/24/52/1300742452.db2.gz YUHMIHRMIPKURC-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)CC1 ZINC000963384983 1300742566 /nfs/dbraw/zinc/74/25/66/1300742566.db2.gz YUHMIHRMIPKURC-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)CC1 ZINC000963384983 1300742578 /nfs/dbraw/zinc/74/25/78/1300742578.db2.gz YUHMIHRMIPKURC-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO O=c1cc[nH]cc1C[NH+]1CCC2(CCN(Cc3cccs3)C2)CC1 ZINC001237843881 1313717636 /nfs/dbraw/zinc/71/76/36/1313717636.db2.gz AJGHCQCTCXKNFU-UHFFFAOYSA-N 1 3 343.496 2.925 20 0 EFADHO c1n[nH]cc1CN1CCC[C@@]2(CCC[N@@H+](CCN3CCCCC3)C2)C1 ZINC001278154738 1313720202 /nfs/dbraw/zinc/72/02/02/1313720202.db2.gz VXDFUIXZYYSRLL-HXUWFJFHSA-N 1 3 345.535 2.574 20 0 EFADHO c1n[nH]cc1CN1CCC[C@@]2(CCC[N@H+](CCN3CCCCC3)C2)C1 ZINC001278154738 1313720204 /nfs/dbraw/zinc/72/02/04/1313720204.db2.gz VXDFUIXZYYSRLL-HXUWFJFHSA-N 1 3 345.535 2.574 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000245934253 1300822918 /nfs/dbraw/zinc/82/29/18/1300822918.db2.gz ISAZDAHOJABHHH-ZACQAIPSSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC(C)(C(N)=O)CC3)cc21 ZINC001237880861 1313725771 /nfs/dbraw/zinc/72/57/71/1313725771.db2.gz JOAHUZUJWRHREK-UHFFFAOYSA-N 1 3 327.472 2.775 20 0 EFADHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000776804240 1300911377 /nfs/dbraw/zinc/91/13/77/1300911377.db2.gz DUHYTZFCWVPNFJ-XLIONFOSSA-N 1 3 330.520 2.971 20 0 EFADHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000776804240 1300911382 /nfs/dbraw/zinc/91/13/82/1300911382.db2.gz DUHYTZFCWVPNFJ-XLIONFOSSA-N 1 3 330.520 2.971 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001207652834 1313741531 /nfs/dbraw/zinc/74/15/31/1313741531.db2.gz OIIIXCHFYHFLPP-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001207652834 1313741536 /nfs/dbraw/zinc/74/15/36/1313741536.db2.gz OIIIXCHFYHFLPP-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001207652856 1313741698 /nfs/dbraw/zinc/74/16/98/1313741698.db2.gz PNHYGZKRZFDFKE-RLLQIKCJSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001207652856 1313741700 /nfs/dbraw/zinc/74/17/00/1313741700.db2.gz PNHYGZKRZFDFKE-RLLQIKCJSA-N 1 3 345.531 2.642 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)CC[C@H](C)CCCC(C)(C)O ZINC001207671496 1313745863 /nfs/dbraw/zinc/74/58/63/1313745863.db2.gz ZVDYOMGUEWEWIP-QGZVFWFLSA-N 1 3 344.540 2.771 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001202495235 1301229987 /nfs/dbraw/zinc/22/99/87/1301229987.db2.gz ALKCMAQYZHKDPL-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCOc1cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ccc1C ZINC001238080591 1313757614 /nfs/dbraw/zinc/75/76/14/1313757614.db2.gz QGIVJUIJUNJMES-RBUKOAKNSA-N 1 3 331.504 2.604 20 0 EFADHO CCOc1cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ccc1C ZINC001238080591 1313757617 /nfs/dbraw/zinc/75/76/17/1313757617.db2.gz QGIVJUIJUNJMES-RBUKOAKNSA-N 1 3 331.504 2.604 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017265411 1301321237 /nfs/dbraw/zinc/32/12/37/1301321237.db2.gz AMCKXYAVKGNFPD-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017265411 1301321248 /nfs/dbraw/zinc/32/12/48/1301321248.db2.gz AMCKXYAVKGNFPD-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001207757577 1313766165 /nfs/dbraw/zinc/76/61/65/1313766165.db2.gz GNUHFRFWRFQHDM-GVDBMIGSSA-N 1 3 325.541 2.835 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001207757577 1313766169 /nfs/dbraw/zinc/76/61/69/1313766169.db2.gz GNUHFRFWRFQHDM-GVDBMIGSSA-N 1 3 325.541 2.835 20 0 EFADHO CC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963901888 1301452984 /nfs/dbraw/zinc/45/29/84/1301452984.db2.gz BDIRLVZDRTWMFH-JMLCCBQJSA-N 1 3 327.488 2.578 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963955619 1301515945 /nfs/dbraw/zinc/51/59/45/1301515945.db2.gz PZTLFPCTDOZFJZ-UHFFFAOYSA-N 1 3 326.444 2.512 20 0 EFADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502465 1301658767 /nfs/dbraw/zinc/65/87/67/1301658767.db2.gz CWHSVOZIEFMHMO-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502472 1301659065 /nfs/dbraw/zinc/65/90/65/1301659065.db2.gz CWHSVOZIEFMHMO-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207853415 1313789283 /nfs/dbraw/zinc/78/92/83/1313789283.db2.gz OWWNLIHEUSESCM-UXHICEINSA-N 1 3 344.499 2.921 20 0 EFADHO CCN(CCC[NH+](CC)CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001462200286 1313793772 /nfs/dbraw/zinc/79/37/72/1313793772.db2.gz QETYMQYXMDZAAF-UHFFFAOYSA-N 1 3 327.513 2.907 20 0 EFADHO CCN(CC)CCC[N@H+](CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001462200286 1313793776 /nfs/dbraw/zinc/79/37/76/1313793776.db2.gz QETYMQYXMDZAAF-UHFFFAOYSA-N 1 3 327.513 2.907 20 0 EFADHO CCN(CC)CCC[N@@H+](CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001462200286 1313793781 /nfs/dbraw/zinc/79/37/81/1313793781.db2.gz QETYMQYXMDZAAF-UHFFFAOYSA-N 1 3 327.513 2.907 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018311032 1313805879 /nfs/dbraw/zinc/80/58/79/1313805879.db2.gz XPDRPCDKAQKITI-AKHDSKFASA-N 1 3 335.536 2.828 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000861631520 1302176079 /nfs/dbraw/zinc/17/60/79/1302176079.db2.gz AIKYKFVAFKUWTK-BBRMVZONSA-N 1 3 340.899 2.712 20 0 EFADHO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208048226 1313833596 /nfs/dbraw/zinc/83/35/96/1313833596.db2.gz DPKGANMXSFFYGO-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO CSc1cc(C)cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC001238685731 1313854083 /nfs/dbraw/zinc/85/40/83/1313854083.db2.gz PLZJYBHDYTXQJK-UHFFFAOYSA-N 1 3 333.545 2.929 20 0 EFADHO CN(CCOCC[NH3+])Cc1ccc(OCc2ccccc2F)cc1 ZINC000863649287 1302669465 /nfs/dbraw/zinc/66/94/65/1302669465.db2.gz BLZOZDBEWFXUEE-UHFFFAOYSA-N 1 3 332.419 2.812 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC[C@H](C)SC)C2 ZINC001208141487 1313855724 /nfs/dbraw/zinc/85/57/24/1313855724.db2.gz KDEHHOCCSYSFJN-SZMVWBNQSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC[C@H](C)SC)C2 ZINC001208141487 1313855727 /nfs/dbraw/zinc/85/57/27/1313855727.db2.gz KDEHHOCCSYSFJN-SZMVWBNQSA-N 1 3 326.550 2.808 20 0 EFADHO CN(C)CC1(C[NH+]2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)CCCC1 ZINC001208184400 1313863480 /nfs/dbraw/zinc/86/34/80/1313863480.db2.gz BSBOHEUVEYZIAU-RTBURBONSA-N 1 3 342.531 2.567 20 0 EFADHO CN(C)CC1(C[NH+]2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)CCCC1 ZINC001208184397 1313863565 /nfs/dbraw/zinc/86/35/65/1313863565.db2.gz BSBOHEUVEYZIAU-OALUTQOASA-N 1 3 342.531 2.567 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CCCC1 ZINC001208187160 1313864941 /nfs/dbraw/zinc/86/49/41/1313864941.db2.gz RFHKECKAIXVKQO-SFHVURJKSA-N 1 3 347.547 2.879 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001208261833 1313884230 /nfs/dbraw/zinc/88/42/30/1313884230.db2.gz SNVWJSPALMQTAW-JKSUJKDBSA-N 1 3 341.496 2.509 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719858035 1303125812 /nfs/dbraw/zinc/12/58/12/1303125812.db2.gz PCESGTQDRHGKEI-QZTJIDSGSA-N 1 3 349.544 2.580 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719858035 1303125813 /nfs/dbraw/zinc/12/58/13/1303125813.db2.gz PCESGTQDRHGKEI-QZTJIDSGSA-N 1 3 349.544 2.580 20 0 EFADHO CSCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719858035 1303125818 /nfs/dbraw/zinc/12/58/18/1303125818.db2.gz PCESGTQDRHGKEI-QZTJIDSGSA-N 1 3 349.544 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965348910 1303145921 /nfs/dbraw/zinc/14/59/21/1303145921.db2.gz YSNOOAQYIGAHHV-QAELIBMJSA-N 1 3 333.520 2.676 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865437202 1303256975 /nfs/dbraw/zinc/25/69/75/1303256975.db2.gz CPTKBZPFYUIQHH-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865437201 1303257083 /nfs/dbraw/zinc/25/70/83/1303257083.db2.gz CPTKBZPFYUIQHH-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1)C1CC1 ZINC001208334066 1313902415 /nfs/dbraw/zinc/90/24/15/1313902415.db2.gz DZMIBFRSHINANR-MSOLQXFVSA-N 1 3 349.544 2.602 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)C1CCC1 ZINC001208338400 1313904172 /nfs/dbraw/zinc/90/41/72/1313904172.db2.gz XZDZEGZHYSRMCJ-ZAOIQFLMSA-N 1 3 341.499 2.765 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)C1CCC1 ZINC001208341335 1313904708 /nfs/dbraw/zinc/90/47/08/1313904708.db2.gz ZDECSPSESPDFAS-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000865749292 1303384828 /nfs/dbraw/zinc/38/48/28/1303384828.db2.gz CIKREVOBHUWSFO-QGZVFWFLSA-N 1 3 344.528 2.877 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CCCC1)C2 ZINC000965886829 1303408978 /nfs/dbraw/zinc/40/89/78/1303408978.db2.gz WPVSHYCOSOHVBU-UHFFFAOYSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC000965886655 1303409412 /nfs/dbraw/zinc/40/94/12/1303409412.db2.gz SKRANCGZCXWGNE-UHFFFAOYSA-N 1 3 342.487 2.778 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001097218292 1313914848 /nfs/dbraw/zinc/91/48/48/1313914848.db2.gz CPBRGLCVMRETGC-YRXWBPOGSA-N 1 3 331.504 2.525 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001097218292 1313914853 /nfs/dbraw/zinc/91/48/53/1313914853.db2.gz CPBRGLCVMRETGC-YRXWBPOGSA-N 1 3 331.504 2.525 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001208373973 1313914047 /nfs/dbraw/zinc/91/40/47/1313914047.db2.gz TTWQBBCIIMNKTF-IHEKOVBBSA-N 1 3 343.515 2.867 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001097219288 1313914312 /nfs/dbraw/zinc/91/43/12/1313914312.db2.gz ZOEIFHXVXURCAZ-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[C@@H]1CCCN1C1CCCC1 ZINC001097219288 1313914315 /nfs/dbraw/zinc/91/43/15/1313914315.db2.gz ZOEIFHXVXURCAZ-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO CC(C)(C)c1ccccc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213637 1313914621 /nfs/dbraw/zinc/91/46/21/1313914621.db2.gz CVLWZXVEZJUULP-OAHLLOKOSA-N 1 3 344.503 2.980 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001208411501 1313923008 /nfs/dbraw/zinc/92/30/08/1313923008.db2.gz VVBNPEFHJSFKCW-WETGWRSWSA-N 1 3 329.488 2.621 20 0 EFADHO CN(C)CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001239307367 1313923947 /nfs/dbraw/zinc/92/39/47/1313923947.db2.gz BDUMTOOIEGDFPF-CYBMUJFWSA-N 1 3 342.846 2.627 20 0 EFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccc2ccccc2c1 ZINC001239317765 1313924794 /nfs/dbraw/zinc/92/47/94/1313924794.db2.gz IWWFIUPBQRHOHN-KRWDZBQOSA-N 1 3 339.439 2.802 20 0 EFADHO CCCC[C@H](CC)COC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239319683 1313925513 /nfs/dbraw/zinc/92/55/13/1313925513.db2.gz REPTWVLQQRPBEX-JKSUJKDBSA-N 1 3 325.497 2.803 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CNC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000866555630 1303682423 /nfs/dbraw/zinc/68/24/23/1303682423.db2.gz SVSAGUTVKJNBEK-NRFANRHFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](C[NH2+]C3CCN(C(C)C)CC3)C2)c1 ZINC000866555630 1303682431 /nfs/dbraw/zinc/68/24/31/1303682431.db2.gz SVSAGUTVKJNBEK-NRFANRHFSA-N 1 3 345.531 2.658 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001208453055 1313932669 /nfs/dbraw/zinc/93/26/69/1313932669.db2.gz AAEKNTVHKVGRLQ-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001208454351 1313933232 /nfs/dbraw/zinc/93/32/32/1313933232.db2.gz VLVQALZSUSIUOQ-KRWDZBQOSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037856068 1303726286 /nfs/dbraw/zinc/72/62/86/1303726286.db2.gz XHYZRJWLONTHLC-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001208453820 1313933483 /nfs/dbraw/zinc/93/34/83/1313933483.db2.gz OXQXNYZTOSDQPL-SFHVURJKSA-N 1 3 349.494 2.945 20 0 EFADHO CC1(C)CCNCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000866699596 1303753892 /nfs/dbraw/zinc/75/38/92/1303753892.db2.gz NFNBOGPHHPODOC-SFHVURJKSA-N 1 3 329.488 2.644 20 0 EFADHO CC1(C)CCNCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000866699596 1303753896 /nfs/dbraw/zinc/75/38/96/1303753896.db2.gz NFNBOGPHHPODOC-SFHVURJKSA-N 1 3 329.488 2.644 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001037861426 1303759260 /nfs/dbraw/zinc/75/92/60/1303759260.db2.gz RIJRDTPKXBQGRY-UYAOXDASSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(N1CCC[C@@H](NCC=C(Cl)Cl)C1)C12CCC[NH+]1CCC2 ZINC001208491183 1313942444 /nfs/dbraw/zinc/94/24/44/1313942444.db2.gz BQBBJZLLJNZTPJ-CYBMUJFWSA-N 1 3 346.302 2.514 20 0 EFADHO O=C(N1CCC[C@H](NCC=C(Cl)Cl)C1)C12CCC[NH+]1CCC2 ZINC001208491184 1313942701 /nfs/dbraw/zinc/94/27/01/1313942701.db2.gz BQBBJZLLJNZTPJ-ZDUSSCGKSA-N 1 3 346.302 2.514 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C(C)(C)C)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491908 1313943080 /nfs/dbraw/zinc/94/30/80/1313943080.db2.gz AQXFFTUMKVOZIZ-VQIMIIECSA-N 1 3 345.531 2.872 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C3CCC3)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494114 1313943809 /nfs/dbraw/zinc/94/38/09/1313943809.db2.gz GPFINBGXNLAZRH-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)C1CC1 ZINC001114409169 1304051462 /nfs/dbraw/zinc/05/14/62/1304051462.db2.gz HNHWFNWOBWAFLE-FUMNGEBKSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)C1CC1 ZINC001114409169 1304051470 /nfs/dbraw/zinc/05/14/70/1304051470.db2.gz HNHWFNWOBWAFLE-FUMNGEBKSA-N 1 3 347.547 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(CC)CC ZINC001208574605 1313965444 /nfs/dbraw/zinc/96/54/44/1313965444.db2.gz BKWNLIUQHAQFSI-ZACQAIPSSA-N 1 3 329.504 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(CC)CC ZINC001208574605 1313965447 /nfs/dbraw/zinc/96/54/47/1313965447.db2.gz BKWNLIUQHAQFSI-ZACQAIPSSA-N 1 3 329.504 2.683 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001208575775 1313966237 /nfs/dbraw/zinc/96/62/37/1313966237.db2.gz UXZSZZJENCBCOW-NXHRZFHOSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)N(CC)CC)C1 ZINC001208575775 1313966239 /nfs/dbraw/zinc/96/62/39/1313966239.db2.gz UXZSZZJENCBCOW-NXHRZFHOSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C[C@H]4CCCN(C)C4)C[C@H]3C2)cc1 ZINC001208606268 1313976347 /nfs/dbraw/zinc/97/63/47/1313976347.db2.gz FAVNJHUFMKVEJV-PWRODBHTSA-N 1 3 327.516 2.700 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001208608227 1313977045 /nfs/dbraw/zinc/97/70/45/1313977045.db2.gz PAUQDHCGYLQTSH-INIZCTEOSA-N 1 3 342.487 2.840 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001208608227 1313977046 /nfs/dbraw/zinc/97/70/46/1313977046.db2.gz PAUQDHCGYLQTSH-INIZCTEOSA-N 1 3 342.487 2.840 20 0 EFADHO CN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208607927 1313977610 /nfs/dbraw/zinc/97/76/10/1313977610.db2.gz NXLVPNJGKWFHQY-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208607927 1313977612 /nfs/dbraw/zinc/97/76/12/1313977612.db2.gz NXLVPNJGKWFHQY-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018633752 1313979604 /nfs/dbraw/zinc/97/96/04/1313979604.db2.gz CQHIAGJVTHGXKN-HKUYNNGSSA-N 1 3 329.488 2.595 20 0 EFADHO CCN(C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612065 1313980319 /nfs/dbraw/zinc/98/03/19/1313980319.db2.gz AKFCHTGXALTQAE-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CCN(C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612065 1313980322 /nfs/dbraw/zinc/98/03/22/1313980322.db2.gz AKFCHTGXALTQAE-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612889 1313980349 /nfs/dbraw/zinc/98/03/49/1313980349.db2.gz GOPBNJJLWCZSJF-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612889 1313980350 /nfs/dbraw/zinc/98/03/50/1313980350.db2.gz GOPBNJJLWCZSJF-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO Cc1cnc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306387 1313981081 /nfs/dbraw/zinc/98/10/81/1313981081.db2.gz FGXMAPVXKFFIGH-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cnc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306387 1313981084 /nfs/dbraw/zinc/98/10/84/1313981084.db2.gz FGXMAPVXKFFIGH-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903183 1304416766 /nfs/dbraw/zinc/41/67/66/1304416766.db2.gz CGTHPHOXXXRNQB-QZTJIDSGSA-N 1 3 333.520 2.655 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619111 1313982966 /nfs/dbraw/zinc/98/29/66/1313982966.db2.gz VQPXBQJTMGTHLK-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619111 1313982969 /nfs/dbraw/zinc/98/29/69/1313982969.db2.gz VQPXBQJTMGTHLK-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC3(C2)C[NH+](C2CCCC2)C3)c1 ZINC001276576894 1313990155 /nfs/dbraw/zinc/99/01/55/1313990155.db2.gz PJQIQTUTXSDIIU-UHFFFAOYSA-N 1 3 331.479 2.948 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374975 1314487027 /nfs/dbraw/zinc/48/70/27/1314487027.db2.gz UYMAOOONJWIMCJ-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC001211374975 1314487023 /nfs/dbraw/zinc/48/70/23/1314487023.db2.gz UYMAOOONJWIMCJ-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1CCN(CC2=CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206742 1304749653 /nfs/dbraw/zinc/74/96/53/1304749653.db2.gz OFTOYEDMNFCNOW-HKUYNNGSSA-N 1 3 345.531 2.942 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967206941 1304750772 /nfs/dbraw/zinc/75/07/72/1304750772.db2.gz PRPKKBVFXCDIAJ-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967206941 1304750775 /nfs/dbraw/zinc/75/07/75/1304750775.db2.gz PRPKKBVFXCDIAJ-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750095 1314008216 /nfs/dbraw/zinc/00/82/16/1314008216.db2.gz YGGTTWHPXMDMLX-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759905 1314010439 /nfs/dbraw/zinc/01/04/39/1314010439.db2.gz WHESIQIAVKEDDK-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759905 1314010441 /nfs/dbraw/zinc/01/04/41/1314010441.db2.gz WHESIQIAVKEDDK-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001037933105 1304892657 /nfs/dbraw/zinc/89/26/57/1304892657.db2.gz KXORYKKEHGRQPR-QAPCUYQASA-N 1 3 344.434 2.508 20 0 EFADHO CN1CCN(Cc2cccc(-c3ccc(-n4cc[nH+]c4N)cc3)c2)CC1 ZINC001240304048 1314018065 /nfs/dbraw/zinc/01/80/65/1314018065.db2.gz TYVMTJYDVPUZMO-UHFFFAOYSA-N 1 3 347.466 2.869 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H]2CCc3ccccc32)CC1 ZINC000796515372 1304917638 /nfs/dbraw/zinc/91/76/38/1304917638.db2.gz DUWBSVRANSCVNK-LJQANCHMSA-N 1 3 346.515 2.776 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037934672 1304918495 /nfs/dbraw/zinc/91/84/95/1304918495.db2.gz OMETYBNORCGPGL-SJLPKXTDSA-N 1 3 330.476 2.669 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001037935815 1304947503 /nfs/dbraw/zinc/94/75/03/1304947503.db2.gz SHYSGNKBFQHUPB-QFBILLFUSA-N 1 3 340.471 2.678 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001037935127 1304972428 /nfs/dbraw/zinc/97/24/28/1304972428.db2.gz PCLPEYTVOQZUIG-IEBWSBKVSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000967423685 1304975934 /nfs/dbraw/zinc/97/59/34/1304975934.db2.gz ICTXREZEODYNJU-QFBILLFUSA-N 1 3 349.494 2.591 20 0 EFADHO [NH3+]C1CCN(c2ccnc(C3=CCCN(Cc4ccccc4)C3)n2)CC1 ZINC001240386050 1314026488 /nfs/dbraw/zinc/02/64/88/1314026488.db2.gz XTEAZMBNOKWXQH-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097405781 1314037736 /nfs/dbraw/zinc/03/77/36/1314037736.db2.gz RBLSODBAEJKSAS-AKHDSKFASA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001097405781 1314037738 /nfs/dbraw/zinc/03/77/38/1314037738.db2.gz RBLSODBAEJKSAS-AKHDSKFASA-N 1 3 335.536 2.874 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccnc2c(F)cccc12 ZINC001276597723 1314043304 /nfs/dbraw/zinc/04/33/04/1314043304.db2.gz OKPBBTHCCICABH-OALUTQOASA-N 1 3 342.462 2.584 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccnc2c(F)cccc12 ZINC001276597723 1314043306 /nfs/dbraw/zinc/04/33/06/1314043306.db2.gz OKPBBTHCCICABH-OALUTQOASA-N 1 3 342.462 2.584 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2F ZINC001137053948 1305376631 /nfs/dbraw/zinc/37/66/31/1305376631.db2.gz LBFAHNNXJIMLER-ZWKOTPCHSA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2F ZINC001137053948 1305376643 /nfs/dbraw/zinc/37/66/43/1305376643.db2.gz LBFAHNNXJIMLER-ZWKOTPCHSA-N 1 3 330.451 2.517 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001042748919 1305384179 /nfs/dbraw/zinc/38/41/79/1305384179.db2.gz YCXOFJDEIUDPPM-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@H+]1C ZINC001042748919 1305384188 /nfs/dbraw/zinc/38/41/88/1305384188.db2.gz YCXOFJDEIUDPPM-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO COC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932793 1314050731 /nfs/dbraw/zinc/05/07/31/1314050731.db2.gz QBXJKRBRMHFHSN-IBGZPJMESA-N 1 3 345.487 2.673 20 0 EFADHO COC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932793 1314050735 /nfs/dbraw/zinc/05/07/35/1314050735.db2.gz QBXJKRBRMHFHSN-IBGZPJMESA-N 1 3 345.487 2.673 20 0 EFADHO COCC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208948200 1314055135 /nfs/dbraw/zinc/05/51/35/1314055135.db2.gz FNEKXNBOWAHTCF-FQEVSTJZSA-N 1 3 345.531 2.551 20 0 EFADHO COCC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208948200 1314055138 /nfs/dbraw/zinc/05/51/38/1314055138.db2.gz FNEKXNBOWAHTCF-FQEVSTJZSA-N 1 3 345.531 2.551 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC001208946792 1314055406 /nfs/dbraw/zinc/05/54/06/1314055406.db2.gz WVGPKTMNSFKCRA-HBMCJLEFSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC001208946792 1314055409 /nfs/dbraw/zinc/05/54/09/1314055409.db2.gz WVGPKTMNSFKCRA-HBMCJLEFSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208946797 1314055471 /nfs/dbraw/zinc/05/54/71/1314055471.db2.gz WVGPKTMNSFKCRA-PWRODBHTSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208946797 1314055474 /nfs/dbraw/zinc/05/54/74/1314055474.db2.gz WVGPKTMNSFKCRA-PWRODBHTSA-N 1 3 327.516 2.925 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCF ZINC001037985374 1305562938 /nfs/dbraw/zinc/56/29/38/1305562938.db2.gz VLGWKYMFGLKVNX-WMZOPIPTSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2ccsc2)CC1)N(C)C ZINC001202531671 1305569652 /nfs/dbraw/zinc/56/96/52/1305569652.db2.gz KCGVSXJQQJMDFT-KRWDZBQOSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967923943 1305606013 /nfs/dbraw/zinc/60/60/13/1305606013.db2.gz CQHIAGJVTHGXKN-MJGOQNOKSA-N 1 3 329.488 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000967926505 1305606859 /nfs/dbraw/zinc/60/68/59/1305606859.db2.gz XHQUDXQYGWNREJ-WOJBJXKFSA-N 1 3 341.499 2.739 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c(C)c2)CC1 ZINC000870859459 1305635150 /nfs/dbraw/zinc/63/51/50/1305635150.db2.gz NBMNGMMRJXMNRI-CALCHBBNSA-N 1 3 344.503 2.593 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(OC)c1 ZINC000870859952 1305635282 /nfs/dbraw/zinc/63/52/82/1305635282.db2.gz BHRQRBBNHMLDTB-WDYCEAGBSA-N 1 3 347.503 2.712 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000870958505 1305710462 /nfs/dbraw/zinc/71/04/62/1305710462.db2.gz UYPANKNUHWCJIP-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2cccc(F)c2)CC1)N(C)C ZINC001202532299 1305728639 /nfs/dbraw/zinc/72/86/39/1305728639.db2.gz WXSBRVVKUYMESW-IBGZPJMESA-N 1 3 349.494 2.679 20 0 EFADHO COCCC[NH+]1CCC2(C[C@H](N(C)Cc3cccs3)CO2)CC1 ZINC001209050081 1314080214 /nfs/dbraw/zinc/08/02/14/1314080214.db2.gz OAABNUMSCXENDD-INIZCTEOSA-N 1 3 338.517 2.840 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968148500 1305910220 /nfs/dbraw/zinc/91/02/20/1305910220.db2.gz AVHCWVJMIAHJMP-YLJYHZDGSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N1CCCCCC1 ZINC001209133054 1314095548 /nfs/dbraw/zinc/09/55/48/1314095548.db2.gz ARHGPHFCLMWMEC-KZNAEPCWSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N1CCCCCC1 ZINC001209133054 1314095551 /nfs/dbraw/zinc/09/55/51/1314095551.db2.gz ARHGPHFCLMWMEC-KZNAEPCWSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554935 1314646399 /nfs/dbraw/zinc/64/63/99/1314646399.db2.gz ADOKTEQXWQWGTF-CZUORRHYSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554935 1314646403 /nfs/dbraw/zinc/64/64/03/1314646403.db2.gz ADOKTEQXWQWGTF-CZUORRHYSA-N 1 3 328.909 2.996 20 0 EFADHO CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276620383 1314101673 /nfs/dbraw/zinc/10/16/73/1314101673.db2.gz HJOIEOLXAFTLOJ-CALCHBBNSA-N 1 3 327.476 2.575 20 0 EFADHO CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276620383 1314101675 /nfs/dbraw/zinc/10/16/75/1314101675.db2.gz HJOIEOLXAFTLOJ-CALCHBBNSA-N 1 3 327.476 2.575 20 0 EFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965629 1306169333 /nfs/dbraw/zinc/16/93/33/1306169333.db2.gz YCZMERMTCJHNDC-LDTOTXGLSA-N 1 3 341.499 2.811 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001018962906 1314113029 /nfs/dbraw/zinc/11/30/29/1314113029.db2.gz PTFPCYYBMBTJFI-PBHICJAKSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018968206 1314114380 /nfs/dbraw/zinc/11/43/80/1314114380.db2.gz XVULFBBSVYNOGT-DLBZAZTESA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018968206 1314114384 /nfs/dbraw/zinc/11/43/84/1314114384.db2.gz XVULFBBSVYNOGT-DLBZAZTESA-N 1 3 335.517 2.702 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000968417257 1306286593 /nfs/dbraw/zinc/28/65/93/1306286593.db2.gz DXYMDVLOIJAMBK-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CCC1 ZINC001018972983 1314118204 /nfs/dbraw/zinc/11/82/04/1314118204.db2.gz ZSKDGGGFLHOSGE-IBGZPJMESA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cncc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276624445 1314116732 /nfs/dbraw/zinc/11/67/32/1314116732.db2.gz YBUSRGASSZHSQS-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1cncc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276624445 1314116735 /nfs/dbraw/zinc/11/67/35/1314116735.db2.gz YBUSRGASSZHSQS-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999503 1314126508 /nfs/dbraw/zinc/12/65/08/1314126508.db2.gz VMLGQZZWTPZLDY-AYBZRNKSSA-N 1 3 347.503 2.533 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001018999472 1314126717 /nfs/dbraw/zinc/12/67/17/1314126717.db2.gz SZNBIBQZSQVMLN-OALUTQOASA-N 1 3 331.504 2.526 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001019000678 1314127025 /nfs/dbraw/zinc/12/70/25/1314127025.db2.gz IWAZZUIUJFBAHL-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001019000739 1314127242 /nfs/dbraw/zinc/12/72/42/1314127242.db2.gz MTTIKXBZYBRWHR-JYJNAYRXSA-N 1 3 345.478 2.589 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921048 1306487210 /nfs/dbraw/zinc/48/72/10/1306487210.db2.gz FWVPSRKDHZXLMP-ZPUGMDSISA-N 1 3 333.520 2.652 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921048 1306487213 /nfs/dbraw/zinc/48/72/13/1306487213.db2.gz FWVPSRKDHZXLMP-ZPUGMDSISA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680478 1306563113 /nfs/dbraw/zinc/56/31/13/1306563113.db2.gz AAHBOJSBQPVSSR-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680478 1306563117 /nfs/dbraw/zinc/56/31/17/1306563117.db2.gz AAHBOJSBQPVSSR-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001209324273 1314139755 /nfs/dbraw/zinc/13/97/55/1314139755.db2.gz PFQJUTLVYYUHOT-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052860839 1314428758 /nfs/dbraw/zinc/42/87/58/1314428758.db2.gz XUEZIYUQOCJWGR-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052860839 1314428760 /nfs/dbraw/zinc/42/87/60/1314428760.db2.gz XUEZIYUQOCJWGR-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627782 1306671040 /nfs/dbraw/zinc/67/10/40/1306671040.db2.gz CGHBQSRUOQQOLN-MAUKXSAKSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628472 1306672481 /nfs/dbraw/zinc/67/24/81/1306672481.db2.gz IFIPDSHRLAFPIJ-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC001019032234 1314142745 /nfs/dbraw/zinc/14/27/45/1314142745.db2.gz MQNODOGFFHHOCY-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001019032304 1314142803 /nfs/dbraw/zinc/14/28/03/1314142803.db2.gz PFBDEWRBMTWNME-QXAKKESOSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001019032464 1314142837 /nfs/dbraw/zinc/14/28/37/1314142837.db2.gz YLNLZBIVJGXNBH-MORSLUCNSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001019032171 1314143101 /nfs/dbraw/zinc/14/31/01/1314143101.db2.gz JXYWLRCSDCVQKR-PKOBYXMFSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC001019033317 1314143596 /nfs/dbraw/zinc/14/35/96/1314143596.db2.gz IXYVGWIFZLNZTA-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968856325 1306727421 /nfs/dbraw/zinc/72/74/21/1306727421.db2.gz HFRFNBNEWBFOPP-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968856325 1306727424 /nfs/dbraw/zinc/72/74/24/1306727424.db2.gz HFRFNBNEWBFOPP-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968882120 1306754168 /nfs/dbraw/zinc/75/41/68/1306754168.db2.gz HJOREFAMTJGCKL-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968882120 1306754173 /nfs/dbraw/zinc/75/41/73/1306754173.db2.gz HJOREFAMTJGCKL-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO c1cc(-c2ncc3c(n2)CCNC3)ccc1OCC[NH+]1CCCCC1 ZINC001241757081 1314145636 /nfs/dbraw/zinc/14/56/36/1314145636.db2.gz UWJUAQNEMGBNFE-UHFFFAOYSA-N 1 3 338.455 2.654 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742914 1306766176 /nfs/dbraw/zinc/76/61/76/1306766176.db2.gz JIFHGCSQDGFGTK-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749985 1306771447 /nfs/dbraw/zinc/77/14/47/1306771447.db2.gz MDLXWDBQLBRIKA-NVXWUHKLSA-N 1 3 332.492 2.892 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044749976 1306771905 /nfs/dbraw/zinc/77/19/05/1306771905.db2.gz MDHGJZYDJOTXFX-WMLDXEAASA-N 1 3 344.434 2.569 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1 ZINC001044754249 1306774746 /nfs/dbraw/zinc/77/47/46/1306774746.db2.gz HBSIQUFHNHGDIP-QAPCUYQASA-N 1 3 340.471 2.684 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C3CC3)C2)CCC1 ZINC000968906996 1306781054 /nfs/dbraw/zinc/78/10/54/1306781054.db2.gz APUXXEUEYDUJLQ-GOSISDBHSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000968912642 1306786515 /nfs/dbraw/zinc/78/65/15/1306786515.db2.gz NNABEWVWRLCOHU-QUCCMNQESA-N 1 3 343.515 2.643 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC000968920632 1306797188 /nfs/dbraw/zinc/79/71/88/1306797188.db2.gz XLKMUFZVGBWADC-LWALAHDXSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000968920632 1306797193 /nfs/dbraw/zinc/79/71/93/1306797193.db2.gz XLKMUFZVGBWADC-LWALAHDXSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC000968920634 1306797430 /nfs/dbraw/zinc/79/74/30/1306797430.db2.gz XLKMUFZVGBWADC-QUAUAXPMSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000968920634 1306797433 /nfs/dbraw/zinc/79/74/33/1306797433.db2.gz XLKMUFZVGBWADC-QUAUAXPMSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC000968920636 1306798048 /nfs/dbraw/zinc/79/80/48/1306798048.db2.gz XLKMUFZVGBWADC-UIOUNXJESA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000968920636 1306798051 /nfs/dbraw/zinc/79/80/51/1306798051.db2.gz XLKMUFZVGBWADC-UIOUNXJESA-N 1 3 327.900 2.584 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000968921670 1306798963 /nfs/dbraw/zinc/79/89/63/1306798963.db2.gz FFIWDIUVKYTFHP-WMLDXEAASA-N 1 3 333.451 2.562 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1)C1CCC1 ZINC000968924300 1306801228 /nfs/dbraw/zinc/80/12/28/1306801228.db2.gz ABPRUYYKHVKVIN-MRXNPFEDSA-N 1 3 341.455 2.608 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968928380 1306808018 /nfs/dbraw/zinc/80/80/18/1306808018.db2.gz JRBVANWDQFXDHS-MSOLQXFVSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968928380 1306808020 /nfs/dbraw/zinc/80/80/20/1306808020.db2.gz JRBVANWDQFXDHS-MSOLQXFVSA-N 1 3 341.515 2.827 20 0 EFADHO Cc1cc(N2CCN(CCCCNC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC001209368839 1314148436 /nfs/dbraw/zinc/14/84/36/1314148436.db2.gz VZQJHKCONSCYRW-UHFFFAOYSA-N 1 3 348.491 2.817 20 0 EFADHO CC(C)=CCN1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934192 1306813686 /nfs/dbraw/zinc/81/36/86/1306813686.db2.gz PJMZFUFPXHRYGF-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001019044719 1314148826 /nfs/dbraw/zinc/14/88/26/1314148826.db2.gz YIKVYUHCESHOOU-FUHWJXTLSA-N 1 3 341.455 2.608 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC000968988895 1306866494 /nfs/dbraw/zinc/86/64/94/1306866494.db2.gz DMGXFNOXKKRTTE-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC000968990227 1306867063 /nfs/dbraw/zinc/86/70/63/1306867063.db2.gz YJGDYXMKACTQKL-OAGGEKHMSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c(C)c1 ZINC001044857016 1306867131 /nfs/dbraw/zinc/86/71/31/1306867131.db2.gz DCKQRAKUQJTNAR-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857277 1306867338 /nfs/dbraw/zinc/86/73/38/1306867338.db2.gz HNTDCPYXMKAXAZ-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044857207 1306867644 /nfs/dbraw/zinc/86/76/44/1306867644.db2.gz GFCXSTQDBXCPLH-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857481 1306868083 /nfs/dbraw/zinc/86/80/83/1306868083.db2.gz KDFPNUPJFPMBNA-APWZRJJASA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968996229 1306871719 /nfs/dbraw/zinc/87/17/19/1306871719.db2.gz AMWVQZUSBGQUKD-LMMKCTJWSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044861841 1306872391 /nfs/dbraw/zinc/87/23/91/1306872391.db2.gz GSZYBXOJQBNHLV-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1)N(C)C ZINC000969074691 1306948337 /nfs/dbraw/zinc/94/83/37/1306948337.db2.gz PADDEXATFFTDCR-NVXWUHKLSA-N 1 3 345.512 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC000969077610 1306950725 /nfs/dbraw/zinc/95/07/25/1306950725.db2.gz YLLXPNOJHNWUMZ-YQVWRLOYSA-N 1 3 331.504 2.895 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001044958665 1306955096 /nfs/dbraw/zinc/95/50/96/1306955096.db2.gz QVNLBRUOJNSUSY-AZUAARDMSA-N 1 3 343.515 2.787 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001044960078 1306956503 /nfs/dbraw/zinc/95/65/03/1306956503.db2.gz VDTRGMVROCXRRM-PMACEKPBSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001044960042 1306956511 /nfs/dbraw/zinc/95/65/11/1306956511.db2.gz SYWBHJNMIKTXJB-IRXDYDNUSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)Oc1ccccc1CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209417915 1314159882 /nfs/dbraw/zinc/15/98/82/1314159882.db2.gz AOJRXQJCOABSAE-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019076325 1314160408 /nfs/dbraw/zinc/16/04/08/1314160408.db2.gz VNHMTYUHFRTBSS-DLBZAZTESA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019076325 1314160412 /nfs/dbraw/zinc/16/04/12/1314160412.db2.gz VNHMTYUHFRTBSS-DLBZAZTESA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001045067375 1307029989 /nfs/dbraw/zinc/02/99/89/1307029989.db2.gz LTGAYZCSEHTXFN-ICSRJNTNSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001045067452 1307030537 /nfs/dbraw/zinc/03/05/37/1307030537.db2.gz SWAKCVVFJNKUQL-WMZOPIPTSA-N 1 3 329.488 2.813 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001045067376 1307030557 /nfs/dbraw/zinc/03/05/57/1307030557.db2.gz LTGDUXGRJCBKQD-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001045067589 1307031572 /nfs/dbraw/zinc/03/15/72/1307031572.db2.gz UIVDROSYVMAZAJ-KRWDZBQOSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001045067532 1307031918 /nfs/dbraw/zinc/03/19/18/1307031918.db2.gz ONWROKITLPTBRJ-PKOBYXMFSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001045070693 1307033324 /nfs/dbraw/zinc/03/33/24/1307033324.db2.gz RJOXOQMUZPXFID-FQEVSTJZSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001045070770 1307034006 /nfs/dbraw/zinc/03/40/06/1307034006.db2.gz UILWKFJNZFCKTB-WBVHZDCISA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001045089114 1307045462 /nfs/dbraw/zinc/04/54/62/1307045462.db2.gz ATFWIBJWVOEOMZ-ZWKOTPCHSA-N 1 3 335.467 2.555 20 0 EFADHO CCC1(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CCC(F)(F)CC1 ZINC001221067737 1315478997 /nfs/dbraw/zinc/47/89/97/1315478997.db2.gz IRWNMZYKLNGXJK-AWEZNQCLSA-N 1 3 333.467 2.956 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001045092772 1307047427 /nfs/dbraw/zinc/04/74/27/1307047427.db2.gz DVWVROLYKIOTAA-WMZOPIPTSA-N 1 3 349.906 2.905 20 0 EFADHO O=C(NC1CCC1)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450002 1314164799 /nfs/dbraw/zinc/16/47/99/1314164799.db2.gz GMXYLURLBYRHOH-SFHVURJKSA-N 1 3 333.520 2.633 20 0 EFADHO C(CN1CCCCC1)C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001209450854 1314164810 /nfs/dbraw/zinc/16/48/10/1314164810.db2.gz DBFCJSDTETVUAZ-IBGZPJMESA-N 1 3 336.520 2.913 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2CCCN1CCCCC1 ZINC001209449360 1314165100 /nfs/dbraw/zinc/16/51/00/1314165100.db2.gz HBUBYLARYOKDFF-ULQDDVLXSA-N 1 3 337.508 2.850 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2CCCN1CCCCC1 ZINC001209449360 1314165102 /nfs/dbraw/zinc/16/51/02/1314165102.db2.gz HBUBYLARYOKDFF-ULQDDVLXSA-N 1 3 337.508 2.850 20 0 EFADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3CCC[NH+]2CCCCC2)c1 ZINC001209451944 1314165837 /nfs/dbraw/zinc/16/58/37/1314165837.db2.gz XJHRVOKRLUMQSN-UXHICEINSA-N 1 3 328.504 2.606 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001045199523 1307133861 /nfs/dbraw/zinc/13/38/61/1307133861.db2.gz COYCCKCWFKXHHS-XLIONFOSSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC001045200563 1307134934 /nfs/dbraw/zinc/13/49/34/1307134934.db2.gz GVPYCPZMODMERQ-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001045199673 1307134959 /nfs/dbraw/zinc/13/49/59/1307134959.db2.gz HHYPWHDSSFDFDF-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001045199851 1307135250 /nfs/dbraw/zinc/13/52/50/1307135250.db2.gz KUUHPMZEIMVMNY-KSSFIOAISA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001045201298 1307135850 /nfs/dbraw/zinc/13/58/50/1307135850.db2.gz ZRKPGRBFDXPGKQ-QAPCUYQASA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001045201299 1307136050 /nfs/dbraw/zinc/13/60/50/1307136050.db2.gz ZRKPGRBFDXPGKQ-YJBOKZPZSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001045201190 1307136115 /nfs/dbraw/zinc/13/61/15/1307136115.db2.gz WQAFPCXNLKLRRR-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001045218008 1307148260 /nfs/dbraw/zinc/14/82/60/1307148260.db2.gz FRKDJOWIEHWJAP-WBVHZDCISA-N 1 3 326.444 2.602 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001045219176 1307148847 /nfs/dbraw/zinc/14/88/47/1307148847.db2.gz IFAQFMHLBKRBQG-SFHVURJKSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001045219096 1307149404 /nfs/dbraw/zinc/14/94/04/1307149404.db2.gz GTATXEWJTIEIMW-WMZOPIPTSA-N 1 3 340.471 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001045251553 1307175341 /nfs/dbraw/zinc/17/53/41/1307175341.db2.gz YDOPURQCEVCVQN-IBGZPJMESA-N 1 3 347.547 2.879 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)CC1 ZINC001045251235 1307175669 /nfs/dbraw/zinc/17/56/69/1307175669.db2.gz KUFCVZQMUQAQQK-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001045310715 1307230036 /nfs/dbraw/zinc/23/00/36/1307230036.db2.gz RSOHDNLWWXDDMZ-KRWDZBQOSA-N 1 3 341.455 2.609 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045311181 1307230503 /nfs/dbraw/zinc/23/05/03/1307230503.db2.gz FJQBBSVYNMUYTQ-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001045310936 1307230562 /nfs/dbraw/zinc/23/05/62/1307230562.db2.gz XJDZMNBLVZTQES-YJBOKZPZSA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045322047 1307240841 /nfs/dbraw/zinc/24/08/41/1307240841.db2.gz HCAXVNTYLPJEMI-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001045443830 1307342410 /nfs/dbraw/zinc/34/24/10/1307342410.db2.gz XXFBJNNUUVKNCI-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001045443830 1307342413 /nfs/dbraw/zinc/34/24/13/1307342413.db2.gz XXFBJNNUUVKNCI-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007324769 1307367548 /nfs/dbraw/zinc/36/75/48/1307367548.db2.gz FKHMMMAXPMDDTH-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007324769 1307367555 /nfs/dbraw/zinc/36/75/55/1307367555.db2.gz FKHMMMAXPMDDTH-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO CC1(NC(=O)c2ccn3cncc3c2)CC[NH+](C/C=C\Cl)CC1 ZINC001045495391 1307380389 /nfs/dbraw/zinc/38/03/89/1307380389.db2.gz GBQQSVAHUQBQSV-KXFIGUGUSA-N 1 3 332.835 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376986 1307397415 /nfs/dbraw/zinc/39/74/15/1307397415.db2.gz QBRDVTBUGZBAPO-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007376986 1307397419 /nfs/dbraw/zinc/39/74/19/1307397419.db2.gz QBRDVTBUGZBAPO-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO C[NH+]1CCC(C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC1 ZINC001045544204 1307417697 /nfs/dbraw/zinc/41/76/97/1307417697.db2.gz ZLHHZJFKUQRVQE-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455790 1307445881 /nfs/dbraw/zinc/44/58/81/1307445881.db2.gz DPCDJMHIJRDYIY-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455790 1307445885 /nfs/dbraw/zinc/44/58/85/1307445885.db2.gz DPCDJMHIJRDYIY-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001007457166 1307447184 /nfs/dbraw/zinc/44/71/84/1307447184.db2.gz JGEMUWZOYFMTSG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001007457166 1307447188 /nfs/dbraw/zinc/44/71/88/1307447188.db2.gz JGEMUWZOYFMTSG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007457166 1307447192 /nfs/dbraw/zinc/44/71/92/1307447192.db2.gz JGEMUWZOYFMTSG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007457166 1307447194 /nfs/dbraw/zinc/44/71/94/1307447194.db2.gz JGEMUWZOYFMTSG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001007491092 1307467449 /nfs/dbraw/zinc/46/74/49/1307467449.db2.gz FUFHVKUSKWFPKG-UXHICEINSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001007491092 1307467455 /nfs/dbraw/zinc/46/74/55/1307467455.db2.gz FUFHVKUSKWFPKG-UXHICEINSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038620717 1307484609 /nfs/dbraw/zinc/48/46/09/1307484609.db2.gz CQPHHKPEQDKWLB-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038620717 1307484612 /nfs/dbraw/zinc/48/46/12/1307484612.db2.gz CQPHHKPEQDKWLB-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001045638901 1307491585 /nfs/dbraw/zinc/49/15/85/1307491585.db2.gz QNFKXLUHSZSSRZ-WMHRWZGDSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001045638901 1307491590 /nfs/dbraw/zinc/49/15/90/1307491590.db2.gz QNFKXLUHSZSSRZ-WMHRWZGDSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640405 1307493309 /nfs/dbraw/zinc/49/33/09/1307493309.db2.gz POICLEMHOSGBGY-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640405 1307493315 /nfs/dbraw/zinc/49/33/15/1307493315.db2.gz POICLEMHOSGBGY-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001276654792 1314194904 /nfs/dbraw/zinc/19/49/04/1314194904.db2.gz WJXAWACEYGSUHD-IRXDYDNUSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC001276654792 1314194906 /nfs/dbraw/zinc/19/49/06/1314194906.db2.gz WJXAWACEYGSUHD-IRXDYDNUSA-N 1 3 349.544 2.554 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001045789610 1307601702 /nfs/dbraw/zinc/60/17/02/1307601702.db2.gz HTSOFSQOFXAKBU-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001045789610 1307601696 /nfs/dbraw/zinc/60/16/96/1307601696.db2.gz HTSOFSQOFXAKBU-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001097695144 1314199120 /nfs/dbraw/zinc/19/91/20/1314199120.db2.gz SZIZITRPDHLKEI-MANSERQUSA-N 1 3 333.520 2.796 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001097695144 1314199122 /nfs/dbraw/zinc/19/91/22/1314199122.db2.gz SZIZITRPDHLKEI-MANSERQUSA-N 1 3 333.520 2.796 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001097694991 1314199473 /nfs/dbraw/zinc/19/94/73/1314199473.db2.gz MZCDGUSONHYZQB-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001097694991 1314199477 /nfs/dbraw/zinc/19/94/77/1314199477.db2.gz MZCDGUSONHYZQB-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](NCc2ncccc2C)C1)[NH+](CC)CC ZINC001209613653 1314200320 /nfs/dbraw/zinc/20/03/20/1314200320.db2.gz KRXUEGMTEBLDEY-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](NCc2ncccc2C)C1)[NH+](CC)CC ZINC001209613652 1314200334 /nfs/dbraw/zinc/20/03/34/1314200334.db2.gz KRXUEGMTEBLDEY-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045807392 1307665400 /nfs/dbraw/zinc/66/54/00/1307665400.db2.gz WSZPQWKYEKCKRL-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045807392 1307665406 /nfs/dbraw/zinc/66/54/06/1307665406.db2.gz WSZPQWKYEKCKRL-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097704730 1314202905 /nfs/dbraw/zinc/20/29/05/1314202905.db2.gz BNMGRGGDAZXNGW-YRXWBPOGSA-N 1 3 333.520 2.915 20 0 EFADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097704730 1314202909 /nfs/dbraw/zinc/20/29/09/1314202909.db2.gz BNMGRGGDAZXNGW-YRXWBPOGSA-N 1 3 333.520 2.915 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097705901 1314203516 /nfs/dbraw/zinc/20/35/16/1314203516.db2.gz XKJYZYVDTBKKLG-YRXWBPOGSA-N 1 3 333.520 2.913 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001097705901 1314203520 /nfs/dbraw/zinc/20/35/20/1314203520.db2.gz XKJYZYVDTBKKLG-YRXWBPOGSA-N 1 3 333.520 2.913 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001209632121 1314204136 /nfs/dbraw/zinc/20/41/36/1314204136.db2.gz KATKPSSKAHLLQB-LSDHHAIUSA-N 1 3 349.441 2.784 20 0 EFADHO Cc1cc(Cl)ncc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001209637935 1314206085 /nfs/dbraw/zinc/20/60/85/1314206085.db2.gz OVYCCTMOEHWPSK-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO CCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209641631 1314206673 /nfs/dbraw/zinc/20/66/73/1314206673.db2.gz KEPJUBAEWVVWAI-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640685 1314206791 /nfs/dbraw/zinc/20/67/91/1314206791.db2.gz CSBVBXRDSXQISU-VQIMIIECSA-N 1 3 339.499 2.746 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001209640732 1314207266 /nfs/dbraw/zinc/20/72/66/1314207266.db2.gz DBRWKRRYDWBGRA-AZUAARDMSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@@H+]1C ZINC001097719001 1314207325 /nfs/dbraw/zinc/20/73/25/1314207325.db2.gz VAPXRTVKYXVBHD-FLNBYBTLSA-N 1 3 345.531 2.939 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@H+]1C ZINC001097719001 1314207329 /nfs/dbraw/zinc/20/73/29/1314207329.db2.gz VAPXRTVKYXVBHD-FLNBYBTLSA-N 1 3 345.531 2.939 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001209643403 1314207399 /nfs/dbraw/zinc/20/73/99/1314207399.db2.gz SYBRNFWXEKXUKD-SJLPKXTDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209643694 1314208020 /nfs/dbraw/zinc/20/80/20/1314208020.db2.gz VJTOCGNJHPOTOW-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001209644192 1314208179 /nfs/dbraw/zinc/20/81/79/1314208179.db2.gz ZQAYGYRITJYBGR-BYFYMVKISA-N 1 3 341.499 2.622 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCC[C@@H]3C)cc2)CC1 ZINC000800392407 1307787018 /nfs/dbraw/zinc/78/70/18/1307787018.db2.gz VXNQROUELCBQLK-LPHOPBHVSA-N 1 3 344.503 2.545 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@H]3C)cc2)CC1 ZINC000800392409 1307787081 /nfs/dbraw/zinc/78/70/81/1307787081.db2.gz VXNQROUELCBQLK-VQIMIIECSA-N 1 3 344.503 2.545 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052414 1307787092 /nfs/dbraw/zinc/78/70/92/1307787092.db2.gz LFQIGFQUOLLJTP-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052414 1307787095 /nfs/dbraw/zinc/78/70/95/1307787095.db2.gz LFQIGFQUOLLJTP-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053193 1307788149 /nfs/dbraw/zinc/78/81/49/1307788149.db2.gz SYHIPCPHTHYBFC-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053193 1307788154 /nfs/dbraw/zinc/78/81/54/1307788154.db2.gz SYHIPCPHTHYBFC-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065068 1307795384 /nfs/dbraw/zinc/79/53/84/1307795384.db2.gz YJZYZUXCTWDETJ-FUHWJXTLSA-N 1 3 349.494 2.733 20 0 EFADHO CC(C)(CN1CCC2(CC[N@@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC001276661059 1314210275 /nfs/dbraw/zinc/21/02/75/1314210275.db2.gz PVFCUVFWSJBGMR-UHFFFAOYSA-N 1 3 349.563 2.828 20 0 EFADHO CC(C)(CN1CCC2(CC[N@H+](C3CCCC3)C2)CC1)N1CCOCC1 ZINC001276661059 1314210278 /nfs/dbraw/zinc/21/02/78/1314210278.db2.gz PVFCUVFWSJBGMR-UHFFFAOYSA-N 1 3 349.563 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCC1 ZINC001045896258 1307833658 /nfs/dbraw/zinc/83/36/58/1307833658.db2.gz APCKFYBZFJYPET-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCC1 ZINC001045896258 1307833661 /nfs/dbraw/zinc/83/36/61/1307833661.db2.gz APCKFYBZFJYPET-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCN(CCc2cccs2)C1)[NH+]1CCCC1 ZINC001008161572 1307871728 /nfs/dbraw/zinc/87/17/28/1307871728.db2.gz HXZWBRIWFWULTM-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)CN(C)C ZINC001276658879 1314214467 /nfs/dbraw/zinc/21/44/67/1314214467.db2.gz YXQASBCZDGPKEH-AYHJJNSGSA-N 1 3 347.551 2.576 20 0 EFADHO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)CN(C)C ZINC001276658879 1314214469 /nfs/dbraw/zinc/21/44/69/1314214469.db2.gz YXQASBCZDGPKEH-AYHJJNSGSA-N 1 3 347.551 2.576 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)CC(C)(C)C ZINC001209689337 1314217243 /nfs/dbraw/zinc/21/72/43/1314217243.db2.gz KNHKOZZGZZQNOH-INIZCTEOSA-N 1 3 329.504 2.685 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001209690052 1314217588 /nfs/dbraw/zinc/21/75/88/1314217588.db2.gz NYDDCLXEUFQHNO-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001209691892 1314217636 /nfs/dbraw/zinc/21/76/36/1314217636.db2.gz ZMVNIEKBTDMEKR-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)CCC[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690166 1314217898 /nfs/dbraw/zinc/21/78/98/1314217898.db2.gz PBYUCJYPOHAWME-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942861 1307955265 /nfs/dbraw/zinc/95/52/65/1307955265.db2.gz BOOASWHYDRQBQP-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942861 1307955266 /nfs/dbraw/zinc/95/52/66/1307955266.db2.gz BOOASWHYDRQBQP-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942862 1307955393 /nfs/dbraw/zinc/95/53/93/1307955393.db2.gz BOOASWHYDRQBQP-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942862 1307955398 /nfs/dbraw/zinc/95/53/98/1307955398.db2.gz BOOASWHYDRQBQP-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943271 1307956433 /nfs/dbraw/zinc/95/64/33/1307956433.db2.gz HLOBPTDKXQRSPG-FPOVZHCZSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943271 1307956437 /nfs/dbraw/zinc/95/64/37/1307956437.db2.gz HLOBPTDKXQRSPG-FPOVZHCZSA-N 1 3 347.547 2.997 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279026 1307956729 /nfs/dbraw/zinc/95/67/29/1307956729.db2.gz QJHRYTCSSDFUGL-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279026 1307956732 /nfs/dbraw/zinc/95/67/32/1307956732.db2.gz QJHRYTCSSDFUGL-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943851 1307959699 /nfs/dbraw/zinc/95/96/99/1307959699.db2.gz PXWRZSJSOMPNOD-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943851 1307959702 /nfs/dbraw/zinc/95/97/02/1307959702.db2.gz PXWRZSJSOMPNOD-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001045944207 1307960293 /nfs/dbraw/zinc/96/02/93/1307960293.db2.gz ZWMFRYPYYANALU-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001045944207 1307960301 /nfs/dbraw/zinc/96/03/01/1307960301.db2.gz ZWMFRYPYYANALU-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001045944466 1307961944 /nfs/dbraw/zinc/96/19/44/1307961944.db2.gz BQLXHNSSKHTIDR-PKOBYXMFSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001045944466 1307961949 /nfs/dbraw/zinc/96/19/49/1307961949.db2.gz BQLXHNSSKHTIDR-PKOBYXMFSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001045948084 1307972064 /nfs/dbraw/zinc/97/20/64/1307972064.db2.gz UWTWNAXLIWQXHH-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001045948084 1307972068 /nfs/dbraw/zinc/97/20/68/1307972068.db2.gz UWTWNAXLIWQXHH-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001045965011 1308017774 /nfs/dbraw/zinc/01/77/74/1308017774.db2.gz BEHWOEUHEVMZEH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001045965011 1308017778 /nfs/dbraw/zinc/01/77/78/1308017778.db2.gz BEHWOEUHEVMZEH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001045966232 1308021196 /nfs/dbraw/zinc/02/11/96/1308021196.db2.gz RIYRDDVCHXEUDP-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045966232 1308021200 /nfs/dbraw/zinc/02/12/00/1308021200.db2.gz RIYRDDVCHXEUDP-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967381 1308025358 /nfs/dbraw/zinc/02/53/58/1308025358.db2.gz TWRYCGFARCCXPP-FPOVZHCZSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967381 1308025363 /nfs/dbraw/zinc/02/53/63/1308025363.db2.gz TWRYCGFARCCXPP-FPOVZHCZSA-N 1 3 347.547 2.999 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967526 1308025606 /nfs/dbraw/zinc/02/56/06/1308025606.db2.gz WVASMHBEWACKOE-AZUAARDMSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967526 1308025612 /nfs/dbraw/zinc/02/56/12/1308025612.db2.gz WVASMHBEWACKOE-AZUAARDMSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967659 1308025651 /nfs/dbraw/zinc/02/56/51/1308025651.db2.gz ZOXBPQXJCYOWDH-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967659 1308025656 /nfs/dbraw/zinc/02/56/56/1308025656.db2.gz ZOXBPQXJCYOWDH-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001045969278 1308031633 /nfs/dbraw/zinc/03/16/33/1308031633.db2.gz NHECLUCRMPKYGC-LBXVMSDZSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(C2)CCCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001045969278 1308031642 /nfs/dbraw/zinc/03/16/42/1308031642.db2.gz NHECLUCRMPKYGC-LBXVMSDZSA-N 1 3 344.503 2.703 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045974143 1308046082 /nfs/dbraw/zinc/04/60/82/1308046082.db2.gz ZDANQDLYYAGDHL-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045974143 1308046083 /nfs/dbraw/zinc/04/60/83/1308046083.db2.gz ZDANQDLYYAGDHL-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001008406535 1308049945 /nfs/dbraw/zinc/04/99/45/1308049945.db2.gz PLPHIDXLJGPJER-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)c1ncc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)s1 ZINC001413115128 1308069642 /nfs/dbraw/zinc/06/96/42/1308069642.db2.gz FDBIIHAWIDMACR-UHFFFAOYSA-N 1 3 345.516 2.703 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001413123594 1308116977 /nfs/dbraw/zinc/11/69/77/1308116977.db2.gz UTXVADBUZNOQEW-QGZVFWFLSA-N 1 3 345.487 2.638 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510460 1308125322 /nfs/dbraw/zinc/12/53/22/1308125322.db2.gz REAMTZZMOPKCPQ-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510460 1308125324 /nfs/dbraw/zinc/12/53/24/1308125324.db2.gz REAMTZZMOPKCPQ-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008544069 1308145981 /nfs/dbraw/zinc/14/59/81/1308145981.db2.gz XZHVYNAZFHYKDM-QFBILLFUSA-N 1 3 349.494 2.733 20 0 EFADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001413149355 1308163576 /nfs/dbraw/zinc/16/35/76/1308163576.db2.gz FNFGVYQIPGVFAL-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC001413149355 1308163578 /nfs/dbraw/zinc/16/35/78/1308163578.db2.gz FNFGVYQIPGVFAL-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO CC1(C)C[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CCO1 ZINC001276668781 1314232607 /nfs/dbraw/zinc/23/26/07/1314232607.db2.gz PKNOQQBEOFXFIY-YTQUADARSA-N 1 3 346.519 2.759 20 0 EFADHO CC1(C)C[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CCO1 ZINC001276668781 1314232611 /nfs/dbraw/zinc/23/26/11/1314232611.db2.gz PKNOQQBEOFXFIY-YTQUADARSA-N 1 3 346.519 2.759 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001019241537 1314235224 /nfs/dbraw/zinc/23/52/24/1314235224.db2.gz HBWRERBAYMJUDA-MORSLUCNSA-N 1 3 347.890 2.612 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnccn3)C[C@H]21 ZINC001209782362 1314238428 /nfs/dbraw/zinc/23/84/28/1314238428.db2.gz ZXMFSYBGZAKBER-NSISKUIASA-N 1 3 337.471 2.604 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnccn3)C[C@H]21 ZINC001209782362 1314238431 /nfs/dbraw/zinc/23/84/31/1314238431.db2.gz ZXMFSYBGZAKBER-NSISKUIASA-N 1 3 337.471 2.604 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009201449 1308427595 /nfs/dbraw/zinc/42/75/95/1308427595.db2.gz KNOJAZZEZOKAFH-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009201449 1308427599 /nfs/dbraw/zinc/42/75/99/1308427599.db2.gz KNOJAZZEZOKAFH-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009200827 1308427905 /nfs/dbraw/zinc/42/79/05/1308427905.db2.gz HHXOXCIMPROOSJ-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009200827 1308427910 /nfs/dbraw/zinc/42/79/10/1308427910.db2.gz HHXOXCIMPROOSJ-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001009223117 1308437912 /nfs/dbraw/zinc/43/79/12/1308437912.db2.gz GDUJZHQDSIQBQH-HKUYNNGSSA-N 1 3 341.499 2.732 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)C1 ZINC001019274599 1314249680 /nfs/dbraw/zinc/24/96/80/1314249680.db2.gz GYAAHADONNHWKZ-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3cccc(F)c3)C2)C1 ZINC001019274599 1314249684 /nfs/dbraw/zinc/24/96/84/1314249684.db2.gz GYAAHADONNHWKZ-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCc2ccccc2)C1 ZINC001046315264 1308530263 /nfs/dbraw/zinc/53/02/63/1308530263.db2.gz IWHMZMUJXOGLAT-FPOVZHCZSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCc2ccccc2)C1 ZINC001046315264 1308530268 /nfs/dbraw/zinc/53/02/68/1308530268.db2.gz IWHMZMUJXOGLAT-FPOVZHCZSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046317733 1308533151 /nfs/dbraw/zinc/53/31/51/1308533151.db2.gz UZMOJLWYTDFFPY-FPOVZHCZSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046317733 1308533157 /nfs/dbraw/zinc/53/31/57/1308533157.db2.gz UZMOJLWYTDFFPY-FPOVZHCZSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)C2)c1 ZINC001009608817 1308584689 /nfs/dbraw/zinc/58/46/89/1308584689.db2.gz HFYDKRLQKRHEGP-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001009608817 1308584694 /nfs/dbraw/zinc/58/46/94/1308584694.db2.gz HFYDKRLQKRHEGP-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)C2)c1 ZINC001009612786 1308585174 /nfs/dbraw/zinc/58/51/74/1308585174.db2.gz SFXOFEFDDNTKJO-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001009612786 1308585175 /nfs/dbraw/zinc/58/51/75/1308585175.db2.gz SFXOFEFDDNTKJO-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624900 1308588737 /nfs/dbraw/zinc/58/87/37/1308588737.db2.gz BMFTZXXMXLDDSR-FUHWJXTLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624900 1308588740 /nfs/dbraw/zinc/58/87/40/1308588740.db2.gz BMFTZXXMXLDDSR-FUHWJXTLSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627202 1308589782 /nfs/dbraw/zinc/58/97/82/1308589782.db2.gz KXQAPTDNJXFSPX-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627202 1308589786 /nfs/dbraw/zinc/58/97/86/1308589786.db2.gz KXQAPTDNJXFSPX-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374252 1308596110 /nfs/dbraw/zinc/59/61/10/1308596110.db2.gz FSOPDJTZRVNKDX-TZIWHRDSSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374252 1308596114 /nfs/dbraw/zinc/59/61/14/1308596114.db2.gz FSOPDJTZRVNKDX-TZIWHRDSSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001209952362 1314263328 /nfs/dbraw/zinc/26/33/28/1314263328.db2.gz QAOPKYJSFVDFBR-CABCVRRESA-N 1 3 349.441 2.782 20 0 EFADHO Cn1c2ccccc2c(CN2CCN(CC[NH3+])CC2)c1-c1ccccc1 ZINC001209976215 1314266351 /nfs/dbraw/zinc/26/63/51/1314266351.db2.gz ITXMKIPIFFVSHY-UHFFFAOYSA-N 1 3 348.494 2.922 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562940 1308797982 /nfs/dbraw/zinc/79/79/82/1308797982.db2.gz WNUWOUFSSZNLAB-CTNGQTDRSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562940 1308797986 /nfs/dbraw/zinc/79/79/86/1308797986.db2.gz WNUWOUFSSZNLAB-CTNGQTDRSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001046595723 1308872190 /nfs/dbraw/zinc/87/21/90/1308872190.db2.gz NBLVBPBOSQDHJB-OAQYLSRUSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001019337638 1314280645 /nfs/dbraw/zinc/28/06/45/1314280645.db2.gz SZNBIBQZSQVMLN-RBUKOAKNSA-N 1 3 331.504 2.526 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1)[NH+](C)C ZINC001019343119 1314283587 /nfs/dbraw/zinc/28/35/87/1314283587.db2.gz YPVITMPZMKKSPR-QFBILLFUSA-N 1 3 343.471 2.710 20 0 EFADHO CN(CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CCC1 ZINC000900963385 1309056330 /nfs/dbraw/zinc/05/63/30/1309056330.db2.gz RFMSAZBCSADBJG-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)CC[NH+]1CC2(C1)CCN(Cc1ccc(C(F)(F)F)o1)CC2 ZINC001276679122 1314286716 /nfs/dbraw/zinc/28/67/16/1314286716.db2.gz MZBRZWLJQYZMQO-UHFFFAOYSA-N 1 3 345.409 2.758 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210217148 1314296526 /nfs/dbraw/zinc/29/65/26/1314296526.db2.gz DJDGEZXTNNUHCE-YRVHBARZSA-N 1 3 329.488 2.622 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001210219771 1314296829 /nfs/dbraw/zinc/29/68/29/1314296829.db2.gz UJENZEBLPRNQEZ-QGZVFWFLSA-N 1 3 337.533 2.603 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210217588 1314296835 /nfs/dbraw/zinc/29/68/35/1314296835.db2.gz JZVYVBZYRDEOPJ-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001210217886 1314296934 /nfs/dbraw/zinc/29/69/34/1314296934.db2.gz NQWHWCSANUPFQJ-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210217596 1314297247 /nfs/dbraw/zinc/29/72/47/1314297247.db2.gz JZVYVBZYRDEOPJ-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001210219955 1314297289 /nfs/dbraw/zinc/29/72/89/1314297289.db2.gz VPAGNYMTNDATDN-FUHWJXTLSA-N 1 3 347.503 2.679 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210218188 1314297336 /nfs/dbraw/zinc/29/73/36/1314297336.db2.gz PKQLXANSLRXLAL-ZWKOTPCHSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001210219768 1314297350 /nfs/dbraw/zinc/29/73/50/1314297350.db2.gz UJENZEBLPRNQEZ-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2C)C1 ZINC001210217273 1314297356 /nfs/dbraw/zinc/29/73/56/1314297356.db2.gz FXMMBVYBYVSSHQ-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001210227591 1314298516 /nfs/dbraw/zinc/29/85/16/1314298516.db2.gz CPNOZPKXFIYQMU-FQEVSTJZSA-N 1 3 345.531 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001210230581 1314299350 /nfs/dbraw/zinc/29/93/50/1314299350.db2.gz XFVKIPINLIKVNV-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019380936 1314302465 /nfs/dbraw/zinc/30/24/65/1314302465.db2.gz SANGUWUDOOXPJV-ZBFHGGJFSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019380936 1314302467 /nfs/dbraw/zinc/30/24/67/1314302467.db2.gz SANGUWUDOOXPJV-ZBFHGGJFSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019380729 1314302757 /nfs/dbraw/zinc/30/27/57/1314302757.db2.gz KLJMDHBJLBOOKM-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001019381037 1314303464 /nfs/dbraw/zinc/30/34/64/1314303464.db2.gz WMQDADGGEWORAG-OLZOCXBDSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(Cl)c1 ZINC001019381039 1314303480 /nfs/dbraw/zinc/30/34/80/1314303480.db2.gz WOIRJQGFLVPTHX-RDJZCZTQSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(Cl)c1 ZINC001019381039 1314303483 /nfs/dbraw/zinc/30/34/83/1314303483.db2.gz WOIRJQGFLVPTHX-RDJZCZTQSA-N 1 3 349.906 2.823 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC001019386753 1314306279 /nfs/dbraw/zinc/30/62/79/1314306279.db2.gz VHWSVXJDUMIFMU-PKOBYXMFSA-N 1 3 341.499 2.596 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001019386222 1314306352 /nfs/dbraw/zinc/30/63/52/1314306352.db2.gz JWYYNDPORKELRI-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001019386180 1314306545 /nfs/dbraw/zinc/30/65/45/1314306545.db2.gz HCFASRPYLNCHTE-YJBOKZPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001019386201 1314306638 /nfs/dbraw/zinc/30/66/38/1314306638.db2.gz IKRASQRDNHJPFV-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)C1 ZINC001052701235 1314310308 /nfs/dbraw/zinc/31/03/08/1314310308.db2.gz BHBFHQALNZUGAY-MAUKXSAKSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC001052701235 1314310312 /nfs/dbraw/zinc/31/03/12/1314310312.db2.gz BHBFHQALNZUGAY-MAUKXSAKSA-N 1 3 345.478 2.529 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001019394506 1314310383 /nfs/dbraw/zinc/31/03/83/1314310383.db2.gz JRTKWOGFNVUUSA-BZSNNMDCSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC001019394679 1314310783 /nfs/dbraw/zinc/31/07/83/1314310783.db2.gz MQNODOGFFHHOCY-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001019396287 1314312111 /nfs/dbraw/zinc/31/21/11/1314312111.db2.gz UHGDEQLLJJRIGK-JQFCIGGWSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001019396286 1314312171 /nfs/dbraw/zinc/31/21/71/1314312171.db2.gz UHGDEQLLJJRIGK-COXVUDFISA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC001019396954 1314312526 /nfs/dbraw/zinc/31/25/26/1314312526.db2.gz BTFDTCXKQLGBJM-BBRMVZONSA-N 1 3 341.858 2.510 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705770 1314312960 /nfs/dbraw/zinc/31/29/60/1314312960.db2.gz JSRCSHGIVZLAFI-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705770 1314312966 /nfs/dbraw/zinc/31/29/66/1314312966.db2.gz JSRCSHGIVZLAFI-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706392 1314313763 /nfs/dbraw/zinc/31/37/63/1314313763.db2.gz RYQOOGKEZFGRMU-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706392 1314313766 /nfs/dbraw/zinc/31/37/66/1314313766.db2.gz RYQOOGKEZFGRMU-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706002 1314313900 /nfs/dbraw/zinc/31/39/00/1314313900.db2.gz NJURFSOKTQQRPM-YJBOKZPZSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706002 1314313903 /nfs/dbraw/zinc/31/39/03/1314313903.db2.gz NJURFSOKTQQRPM-YJBOKZPZSA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105515 1309475569 /nfs/dbraw/zinc/47/55/69/1309475569.db2.gz NRRITIZUIYXCLV-UFYCRDLUSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105515 1309475573 /nfs/dbraw/zinc/47/55/73/1309475573.db2.gz NRRITIZUIYXCLV-UFYCRDLUSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1nc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001276682297 1314315482 /nfs/dbraw/zinc/31/54/82/1314315482.db2.gz IYWWJGWKQCNVAJ-UHFFFAOYSA-N 1 3 327.476 2.924 20 0 EFADHO Cc1nc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)c[nH]1 ZINC001276682297 1314315486 /nfs/dbraw/zinc/31/54/86/1314315486.db2.gz IYWWJGWKQCNVAJ-UHFFFAOYSA-N 1 3 327.476 2.924 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001052712120 1314318546 /nfs/dbraw/zinc/31/85/46/1314318546.db2.gz FPVMSDCKTRIESP-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001052712120 1314318549 /nfs/dbraw/zinc/31/85/49/1314318549.db2.gz FPVMSDCKTRIESP-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052712368 1314318659 /nfs/dbraw/zinc/31/86/59/1314318659.db2.gz HPDUGYJVCJOVNR-IEBWSBKVSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052712368 1314318661 /nfs/dbraw/zinc/31/86/61/1314318661.db2.gz HPDUGYJVCJOVNR-IEBWSBKVSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712544 1314318820 /nfs/dbraw/zinc/31/88/20/1314318820.db2.gz KGVDDCJMNKUMDY-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712544 1314318824 /nfs/dbraw/zinc/31/88/24/1314318824.db2.gz KGVDDCJMNKUMDY-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2cnccc2N2CCOCC2)c1 ZINC001243746684 1314319329 /nfs/dbraw/zinc/31/93/29/1314319329.db2.gz ARRYZXFJJZZLHW-UHFFFAOYSA-N 1 3 327.428 2.526 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052713358 1314319945 /nfs/dbraw/zinc/31/99/45/1314319945.db2.gz VRUFJILHVSXTCS-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052713358 1314319947 /nfs/dbraw/zinc/31/99/47/1314319947.db2.gz VRUFJILHVSXTCS-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052713244 1314320254 /nfs/dbraw/zinc/32/02/54/1314320254.db2.gz UIWSLLSRHROSLB-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052713244 1314320257 /nfs/dbraw/zinc/32/02/57/1314320257.db2.gz UIWSLLSRHROSLB-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccsc3)CC2)C1 ZINC001052712752 1314320312 /nfs/dbraw/zinc/32/03/12/1314320312.db2.gz OITSIAIEJZIKMP-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccsc3)CC2)C1 ZINC001052712752 1314320316 /nfs/dbraw/zinc/32/03/16/1314320316.db2.gz OITSIAIEJZIKMP-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052716529 1314322039 /nfs/dbraw/zinc/32/20/39/1314322039.db2.gz OGNDDLNQSZQHQQ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052716529 1314322042 /nfs/dbraw/zinc/32/20/42/1314322042.db2.gz OGNDDLNQSZQHQQ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@@H]2CCC[N@H+](CCC(F)(F)F)CC2)C1 ZINC001052716456 1314322125 /nfs/dbraw/zinc/32/21/25/1314322125.db2.gz MCMBDCBPDHKKEQ-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCC(F)(F)F)CC2)C1 ZINC001052716456 1314322130 /nfs/dbraw/zinc/32/21/30/1314322130.db2.gz MCMBDCBPDHKKEQ-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001052712058 1314317496 /nfs/dbraw/zinc/31/74/96/1314317496.db2.gz DKSOYDMBGSYBPD-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001052712058 1314317499 /nfs/dbraw/zinc/31/74/99/1314317499.db2.gz DKSOYDMBGSYBPD-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712272 1314318003 /nfs/dbraw/zinc/31/80/03/1314318003.db2.gz GMQKQLDXCUCJQA-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712272 1314318006 /nfs/dbraw/zinc/31/80/06/1314318006.db2.gz GMQKQLDXCUCJQA-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001052712278 1314318073 /nfs/dbraw/zinc/31/80/73/1314318073.db2.gz GNUNPVVHKINNFM-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001052712278 1314318075 /nfs/dbraw/zinc/31/80/75/1314318075.db2.gz GNUNPVVHKINNFM-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCC1(F)F ZINC001046978941 1309827954 /nfs/dbraw/zinc/82/79/54/1309827954.db2.gz ZPWXXENEUNIZBZ-HZPDHXFCSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)CCC1(F)F ZINC001046978941 1309827965 /nfs/dbraw/zinc/82/79/65/1309827965.db2.gz ZPWXXENEUNIZBZ-HZPDHXFCSA-N 1 3 345.478 2.731 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CC)CCC1(F)F ZINC001046987212 1309854485 /nfs/dbraw/zinc/85/44/85/1309854485.db2.gz RTZOLIDNBPNBGJ-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CN(CC)CCC1(F)F ZINC001046987212 1309854491 /nfs/dbraw/zinc/85/44/91/1309854491.db2.gz RTZOLIDNBPNBGJ-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046993335 1309873448 /nfs/dbraw/zinc/87/34/48/1309873448.db2.gz CYSCQQXXSXEJOR-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046993335 1309873458 /nfs/dbraw/zinc/87/34/58/1309873458.db2.gz CYSCQQXXSXEJOR-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046995640 1309882141 /nfs/dbraw/zinc/88/21/41/1309882141.db2.gz QNSAHKCVYGSBSV-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046995640 1309882150 /nfs/dbraw/zinc/88/21/50/1309882150.db2.gz QNSAHKCVYGSBSV-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764103 1314357563 /nfs/dbraw/zinc/35/75/63/1314357563.db2.gz MNTCPLDOORNHQQ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764103 1314357565 /nfs/dbraw/zinc/35/75/65/1314357565.db2.gz MNTCPLDOORNHQQ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO COC(=O)Cc1cccc(-c2ccccc2CN2CCC([NH3+])CC2)c1 ZINC001244220723 1314362688 /nfs/dbraw/zinc/36/26/88/1314362688.db2.gz PXJUMHPSPHHJGI-UHFFFAOYSA-N 1 3 338.451 2.992 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCN(C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001052764983 1314358725 /nfs/dbraw/zinc/35/87/25/1314358725.db2.gz UTISCFJYBPKUIV-JSMQFAGNSA-N 1 3 341.927 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001047207049 1310307965 /nfs/dbraw/zinc/30/79/65/1310307965.db2.gz LWOGHYZNQXUFCM-WDSOQIARSA-N 1 3 341.499 2.741 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2 ZINC001047207049 1310307975 /nfs/dbraw/zinc/30/79/75/1310307975.db2.gz LWOGHYZNQXUFCM-WDSOQIARSA-N 1 3 341.499 2.741 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047245173 1310402854 /nfs/dbraw/zinc/40/28/54/1310402854.db2.gz XZNBGTJEXPQPIM-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047245532 1310403131 /nfs/dbraw/zinc/40/31/31/1310403131.db2.gz ZOJVYLZKEWHAOE-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC(C)C)CC2)C1)N(C)C ZINC001047255609 1310427952 /nfs/dbraw/zinc/42/79/52/1310427952.db2.gz BTEWZRSMLOATGH-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257788 1310434073 /nfs/dbraw/zinc/43/40/73/1310434073.db2.gz UIHBWGJDFDOPPP-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259002 1310437474 /nfs/dbraw/zinc/43/74/74/1310437474.db2.gz JEIJEJGTTIVFIB-FUHWJXTLSA-N 1 3 346.519 2.949 20 0 EFADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001047262903 1310448304 /nfs/dbraw/zinc/44/83/04/1310448304.db2.gz WDQIXDRLKJGTAC-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001210811163 1314391798 /nfs/dbraw/zinc/39/17/98/1314391798.db2.gz KMWBDPIWSVLOSV-DNVCBOLYSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001210810620 1314392006 /nfs/dbraw/zinc/39/20/06/1314392006.db2.gz BEBWTJWRNPOSPT-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001210810618 1314392048 /nfs/dbraw/zinc/39/20/48/1314392048.db2.gz BEBWTJWRNPOSPT-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001210811165 1314392163 /nfs/dbraw/zinc/39/21/63/1314392163.db2.gz KMWBDPIWSVLOSV-KXBFYZLASA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001210812388 1314392630 /nfs/dbraw/zinc/39/26/30/1314392630.db2.gz ZBYUXUYCTJHDMO-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001210812396 1314393073 /nfs/dbraw/zinc/39/30/73/1314393073.db2.gz ZHIGVSYAMVFXPS-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019653602 1314410374 /nfs/dbraw/zinc/41/03/74/1314410374.db2.gz NPFWMPKTGZEFDG-CVEARBPZSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001019653602 1314410375 /nfs/dbraw/zinc/41/03/75/1314410375.db2.gz NPFWMPKTGZEFDG-CVEARBPZSA-N 1 3 349.906 2.681 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730755 1311020234 /nfs/dbraw/zinc/02/02/34/1311020234.db2.gz QXWADYXCSYRNNF-OSFIAYCASA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730755 1311020237 /nfs/dbraw/zinc/02/02/37/1311020237.db2.gz QXWADYXCSYRNNF-OSFIAYCASA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730755 1311020240 /nfs/dbraw/zinc/02/02/40/1311020240.db2.gz QXWADYXCSYRNNF-OSFIAYCASA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221812108 1311036718 /nfs/dbraw/zinc/03/67/18/1311036718.db2.gz ZCXAVDYMESUADD-FMABSTRRSA-N 1 3 335.536 2.996 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)ccc3C)C[C@H]21 ZINC001221919287 1311053646 /nfs/dbraw/zinc/05/36/46/1311053646.db2.gz HAEYAUPJLSFKDL-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)ccc3C)C[C@H]21 ZINC001221919287 1311053650 /nfs/dbraw/zinc/05/36/50/1311053650.db2.gz HAEYAUPJLSFKDL-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221960641 1311060281 /nfs/dbraw/zinc/06/02/81/1311060281.db2.gz BSXAQGPHHSJURO-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO c1nc2c(cc1CN1CCCC3(CCCC[NH2+]C3)CCC1)OCCO2 ZINC001222114369 1311086709 /nfs/dbraw/zinc/08/67/09/1311086709.db2.gz WMEMXBBARIMTIG-UHFFFAOYSA-N 1 3 345.487 2.989 20 0 EFADHO COC(=O)c1ccc(CN2CCCC3(CCCC[NH2+]C3)CCC2)[nH]1 ZINC001222119835 1311087308 /nfs/dbraw/zinc/08/73/08/1311087308.db2.gz MYDOJCFMOCPECM-UHFFFAOYSA-N 1 3 333.476 2.937 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)N(C)C ZINC001099491393 1311098075 /nfs/dbraw/zinc/09/80/75/1311098075.db2.gz JOANFRCYCHVDDW-NSHGMRRFSA-N 1 3 335.536 2.591 20 0 EFADHO CCSc1ncc2cccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n21 ZINC001222634575 1311164623 /nfs/dbraw/zinc/16/46/23/1311164623.db2.gz FNXWEDJXQMMDBJ-GASCZTMLSA-N 1 3 330.501 2.878 20 0 EFADHO Cc1cccc2[nH]cc(CN3CC4(C3)CC[N@@H+](CCN(C)C)C4)c21 ZINC001276840220 1311186828 /nfs/dbraw/zinc/18/68/28/1311186828.db2.gz LAHODDGONANVIO-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO Cc1cccc2[nH]cc(CN3CC4(C3)CC[N@H+](CCN(C)C)C4)c21 ZINC001276840220 1311186829 /nfs/dbraw/zinc/18/68/29/1311186829.db2.gz LAHODDGONANVIO-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCC(NC/C(Cl)=C/Cl)CC2)CC1 ZINC001491359870 1311188233 /nfs/dbraw/zinc/18/82/33/1311188233.db2.gz AZBIUSIWBSCBGJ-RAXLEYEMSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1c(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)ccc(F)c1F ZINC001276844961 1311190498 /nfs/dbraw/zinc/19/04/98/1311190498.db2.gz DUBUCFSOASABHJ-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO [S-]c1ccoc1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001276848067 1311197506 /nfs/dbraw/zinc/19/75/06/1311197506.db2.gz MKEFLABHJCGBKZ-IYBDPMFKSA-N 1 3 346.500 2.609 20 0 EFADHO [S-]c1ccoc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001276848067 1311197507 /nfs/dbraw/zinc/19/75/07/1311197507.db2.gz MKEFLABHJCGBKZ-IYBDPMFKSA-N 1 3 346.500 2.609 20 0 EFADHO [S-]c1ccoc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001276848067 1311197510 /nfs/dbraw/zinc/19/75/10/1311197510.db2.gz MKEFLABHJCGBKZ-IYBDPMFKSA-N 1 3 346.500 2.609 20 0 EFADHO [S-]c1ccoc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001276848067 1311197513 /nfs/dbraw/zinc/19/75/13/1311197513.db2.gz MKEFLABHJCGBKZ-IYBDPMFKSA-N 1 3 346.500 2.609 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223023728 1311209960 /nfs/dbraw/zinc/20/99/60/1311209960.db2.gz NJULSBQWXWVFRL-NUQYTELCSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223023728 1311209964 /nfs/dbraw/zinc/20/99/64/1311209964.db2.gz NJULSBQWXWVFRL-NUQYTELCSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)(C(=O)NCC1CCN(C/C=C/Cl)CC1)[NH+]1CCCCC1 ZINC001223203442 1311229939 /nfs/dbraw/zinc/22/99/39/1311229939.db2.gz YEKOTKGBWZFUSB-RMKNXTFCSA-N 1 3 341.927 2.832 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353832 1311235758 /nfs/dbraw/zinc/23/57/58/1311235758.db2.gz HDTHJLKKQYRJDU-GGPKGHCWSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353832 1311235762 /nfs/dbraw/zinc/23/57/62/1311235762.db2.gz HDTHJLKKQYRJDU-GGPKGHCWSA-N 1 3 337.552 2.789 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866701 1311239308 /nfs/dbraw/zinc/23/93/08/1311239308.db2.gz DDACBGHHXJHVBQ-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047868087 1311240328 /nfs/dbraw/zinc/24/03/28/1311240328.db2.gz MRVLXRYARGHWOF-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868060 1311240518 /nfs/dbraw/zinc/24/05/18/1311240518.db2.gz MIYBICZZFJSWQB-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868308 1311240604 /nfs/dbraw/zinc/24/06/04/1311240604.db2.gz NKXQWOLATCPNHI-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869131 1311241473 /nfs/dbraw/zinc/24/14/73/1311241473.db2.gz PIXNSGMUXLPSNN-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001047869196 1311241541 /nfs/dbraw/zinc/24/15/41/1311241541.db2.gz PVQMCQWSIZUEPE-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047870130 1311241992 /nfs/dbraw/zinc/24/19/92/1311241992.db2.gz UGCZPTFSHHXVSQ-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047870945 1311243300 /nfs/dbraw/zinc/24/33/00/1311243300.db2.gz WRMUPDUXTXAXDY-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)c1ccc(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cn1 ZINC001276882303 1311247168 /nfs/dbraw/zinc/24/71/68/1311247168.db2.gz PMIQMVGCAZHFED-UHFFFAOYSA-N 1 3 328.504 2.988 20 0 EFADHO Cc1cc(CN2CC[C@@H]3CCN(C(=O)CCC[NH+](C)C)C[C@@H]32)cs1 ZINC001223393686 1311254388 /nfs/dbraw/zinc/25/43/88/1311254388.db2.gz RLPYFVGDYCCQHF-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001223471544 1311264516 /nfs/dbraw/zinc/26/45/16/1311264516.db2.gz AKRARGRHLWHGJX-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471564 1311264909 /nfs/dbraw/zinc/26/49/09/1311264909.db2.gz AUJSYHNTLULXMJ-MSOLQXFVSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471564 1311264913 /nfs/dbraw/zinc/26/49/13/1311264913.db2.gz AUJSYHNTLULXMJ-MSOLQXFVSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472684 1311264990 /nfs/dbraw/zinc/26/49/90/1311264990.db2.gz SGEGITSLVAQVRT-OXJNMPFZSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CCC2CCCC2)CC1)C1CC1 ZINC001223472896 1311265051 /nfs/dbraw/zinc/26/50/51/1311265051.db2.gz XNVJRGJTVZPBQU-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC001223472952 1311265219 /nfs/dbraw/zinc/26/52/19/1311265219.db2.gz YMHFVHIHEFKVAV-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN(C)C3CCC3)CC2)c1 ZINC001223487700 1311267182 /nfs/dbraw/zinc/26/71/82/1311267182.db2.gz NLGYGDUQDHEOGD-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCC(C)(C)C)CC1)N(C)C ZINC001223533339 1311272542 /nfs/dbraw/zinc/27/25/42/1311272542.db2.gz HDYJEKYLKFKQCP-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049947 1311274663 /nfs/dbraw/zinc/27/46/63/1311274663.db2.gz LQYMDSCOCTXZAB-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001102049947 1311274665 /nfs/dbraw/zinc/27/46/65/1311274665.db2.gz LQYMDSCOCTXZAB-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001223597116 1311280075 /nfs/dbraw/zinc/28/00/75/1311280075.db2.gz JEXGYKIMQPWXNA-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1)N(C)C ZINC001223597596 1311280282 /nfs/dbraw/zinc/28/02/82/1311280282.db2.gz OAUOMSAIZJLSFR-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CCC(C)(C)C)CC1 ZINC001223655262 1311287870 /nfs/dbraw/zinc/28/78/70/1311287870.db2.gz UQWSXLOCIJYQAF-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CCc1cccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C2)c1 ZINC001102378247 1311306160 /nfs/dbraw/zinc/30/61/60/1311306160.db2.gz QQIXXTZXHHODRJ-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1cccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C2)c1 ZINC001102378247 1311306161 /nfs/dbraw/zinc/30/61/61/1311306161.db2.gz QQIXXTZXHHODRJ-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223839456 1311309917 /nfs/dbraw/zinc/30/99/17/1311309917.db2.gz ROZHZRFNAAZHSS-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223839456 1311309921 /nfs/dbraw/zinc/30/99/21/1311309921.db2.gz ROZHZRFNAAZHSS-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001102525105 1311315945 /nfs/dbraw/zinc/31/59/45/1311315945.db2.gz LATQGIYVAQSRMI-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001102525105 1311315948 /nfs/dbraw/zinc/31/59/48/1311315948.db2.gz LATQGIYVAQSRMI-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001102524449 1311316084 /nfs/dbraw/zinc/31/60/84/1311316084.db2.gz FTISANHKPKHREK-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001102524449 1311316085 /nfs/dbraw/zinc/31/60/85/1311316085.db2.gz FTISANHKPKHREK-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911657 1311320092 /nfs/dbraw/zinc/32/00/92/1311320092.db2.gz GSXLZMGLAKHWRU-CVEARBPZSA-N 1 3 332.492 2.800 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911657 1311320093 /nfs/dbraw/zinc/32/00/93/1311320093.db2.gz GSXLZMGLAKHWRU-CVEARBPZSA-N 1 3 332.492 2.800 20 0 EFADHO C[C@@H]1C[N@H+](CCCF)C[C@H]1CCNC(=O)C(C)(C)N1CCCCC1 ZINC001102987702 1311339336 /nfs/dbraw/zinc/33/93/36/1311339336.db2.gz NUVKQBHHSJXPTC-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]1C[N@@H+](CCCF)C[C@H]1CCNC(=O)C(C)(C)N1CCCCC1 ZINC001102987702 1311339337 /nfs/dbraw/zinc/33/93/37/1311339337.db2.gz NUVKQBHHSJXPTC-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975162 1311343250 /nfs/dbraw/zinc/34/32/50/1311343250.db2.gz IIGBTXCBIITMPI-WBVHZDCISA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047984199 1311350305 /nfs/dbraw/zinc/35/03/05/1311350305.db2.gz QQJIJJMWDAZODE-WMZOPIPTSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001047986528 1311352177 /nfs/dbraw/zinc/35/21/77/1311352177.db2.gz DMLAITNPQDFFOK-AEFFLSMTSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001047986511 1311352277 /nfs/dbraw/zinc/35/22/77/1311352277.db2.gz DIABZNWWDHMXOM-ZFWWWQNUSA-N 1 3 346.500 2.657 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001047986531 1311352351 /nfs/dbraw/zinc/35/23/51/1311352351.db2.gz DMLAITNPQDFFOK-SJLPKXTDSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048008902 1311367079 /nfs/dbraw/zinc/36/70/79/1311367079.db2.gz RGXCEHFTEPWLNC-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346059 1311378891 /nfs/dbraw/zinc/37/88/91/1311378891.db2.gz BCDMZEMVXIZCRF-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001224402447 1311385759 /nfs/dbraw/zinc/38/57/59/1311385759.db2.gz HNHFDMYIUYYVHA-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC001158787460 1311387873 /nfs/dbraw/zinc/38/78/73/1311387873.db2.gz UIKINDVTMPZFIZ-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC001158787460 1311387876 /nfs/dbraw/zinc/38/78/76/1311387876.db2.gz UIKINDVTMPZFIZ-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CC[C@H](C(=O)NCC1CCN(Cc2ccccn2)CC1)[NH+](CC)CC ZINC001224476430 1311396441 /nfs/dbraw/zinc/39/64/41/1311396441.db2.gz DTKXHGPCNVUPRL-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224496099 1311398693 /nfs/dbraw/zinc/39/86/93/1311398693.db2.gz NNWMMFSJIVZGMF-SJORKVTESA-N 1 3 329.504 2.683 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001224524439 1311402711 /nfs/dbraw/zinc/40/27/11/1311402711.db2.gz WQELIPPDHGRGEH-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001224535722 1311404241 /nfs/dbraw/zinc/40/42/41/1311404241.db2.gz JHIXHZXVHXXDTN-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CCc2cccs2)CC1 ZINC001224534985 1311404425 /nfs/dbraw/zinc/40/44/25/1311404425.db2.gz BOKCMSPBSQTKLB-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224538627 1311404817 /nfs/dbraw/zinc/40/48/17/1311404817.db2.gz YKPBNBDZNKTSAV-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC001224537614 1311405066 /nfs/dbraw/zinc/40/50/66/1311405066.db2.gz SLDDLUSXSHDDQV-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001224536292 1311405073 /nfs/dbraw/zinc/40/50/73/1311405073.db2.gz LKILDQLGMNCCPA-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001224583661 1311410758 /nfs/dbraw/zinc/41/07/58/1311410758.db2.gz YHSHHUDOLFZUGY-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+]([C@H]2CCc3ccccc32)CC1)N(C)C ZINC001224583725 1311410799 /nfs/dbraw/zinc/41/07/99/1311410799.db2.gz ZPUTZXNKPMTWPO-PMACEKPBSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058669 1311417485 /nfs/dbraw/zinc/41/74/85/1311417485.db2.gz ICRRQPQYZFCZEC-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC001158923148 1311417931 /nfs/dbraw/zinc/41/79/31/1311417931.db2.gz QEBXLTCEWAVJES-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCc1ccccc1 ZINC001158923148 1311417932 /nfs/dbraw/zinc/41/79/32/1311417932.db2.gz QEBXLTCEWAVJES-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068219 1311427146 /nfs/dbraw/zinc/42/71/46/1311427146.db2.gz DVRQNDKGNBPPCX-SJLPKXTDSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048068859 1311428231 /nfs/dbraw/zinc/42/82/31/1311428231.db2.gz JSGMTSUVDMLYOJ-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO CCCCCCN(C)CC(=O)NCC1CC[NH+](CCCF)CC1 ZINC001224884065 1311446546 /nfs/dbraw/zinc/44/65/46/1311446546.db2.gz MFXQUOUTNZXHLM-UHFFFAOYSA-N 1 3 329.504 2.686 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001224911647 1311449735 /nfs/dbraw/zinc/44/97/35/1311449735.db2.gz PWIUWBYJKYNXHS-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO c1ccc(CN2CCC=C(Nc3ccc(N4CC[NH2+]CC4)cn3)C2)cc1 ZINC001159122938 1311455286 /nfs/dbraw/zinc/45/52/86/1311455286.db2.gz RPDMXWOSTRFYJD-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001159155752 1311463101 /nfs/dbraw/zinc/46/31/01/1311463101.db2.gz TZXRNLHCYIQMJI-QGZVFWFLSA-N 1 3 349.450 2.709 20 0 EFADHO C[N@@H+]1CC[C@@H](OC[C@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152241 1311483010 /nfs/dbraw/zinc/48/30/10/1311483010.db2.gz NDRAGZSFOLQRMN-QUCCMNQESA-N 1 3 332.488 2.777 20 0 EFADHO C[N@H+]1CC[C@@H](OC[C@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152241 1311483011 /nfs/dbraw/zinc/48/30/11/1311483011.db2.gz NDRAGZSFOLQRMN-QUCCMNQESA-N 1 3 332.488 2.777 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccccc2CC)CC1 ZINC001225228788 1311492698 /nfs/dbraw/zinc/49/26/98/1311492698.db2.gz YLDQPRZIXQGMLY-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC001225228465 1311492788 /nfs/dbraw/zinc/49/27/88/1311492788.db2.gz KGULHQDNBKOBPD-UHFFFAOYSA-N 1 3 345.531 2.708 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001225252102 1311495385 /nfs/dbraw/zinc/49/53/85/1311495385.db2.gz LNWYRHURPAKFJW-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014409813 1311501931 /nfs/dbraw/zinc/50/19/31/1311501931.db2.gz RZGRRJNNPWUIGP-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014409813 1311501934 /nfs/dbraw/zinc/50/19/34/1311501934.db2.gz RZGRRJNNPWUIGP-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CCc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001159460724 1311520790 /nfs/dbraw/zinc/52/07/90/1311520790.db2.gz ZCWINKMYIZYKMI-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO Cc1cnnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460631 1311520875 /nfs/dbraw/zinc/52/08/75/1311520875.db2.gz VMPWKEOJTFDDBY-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO C[C@@H](Nc1[nH+]ccc2c1ccn2Cc1ccccc1)[C@@H]1CNCCO1 ZINC001159500283 1311527548 /nfs/dbraw/zinc/52/75/48/1311527548.db2.gz RJNUWFIAVNDHOJ-BEFAXECRSA-N 1 3 336.439 2.873 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464918 1311527619 /nfs/dbraw/zinc/52/76/19/1311527619.db2.gz QYDKZYTZGRTPNT-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014474948 1311534490 /nfs/dbraw/zinc/53/44/90/1311534490.db2.gz JJXIFLSYQVGGIE-NSISKUIASA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014474948 1311534494 /nfs/dbraw/zinc/53/44/94/1311534494.db2.gz JJXIFLSYQVGGIE-NSISKUIASA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014474939 1311534806 /nfs/dbraw/zinc/53/48/06/1311534806.db2.gz JJXIFLSYQVGGIE-LSTHTHJFSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014474939 1311534811 /nfs/dbraw/zinc/53/48/11/1311534811.db2.gz JJXIFLSYQVGGIE-LSTHTHJFSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)Cc1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001159545677 1311538191 /nfs/dbraw/zinc/53/81/91/1311538191.db2.gz BBZLGBQUQIYJCK-UHFFFAOYSA-N 1 3 328.504 2.877 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159581980 1311545523 /nfs/dbraw/zinc/54/55/23/1311545523.db2.gz YWJQRIGGRPCWEE-XLIONFOSSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159581980 1311545526 /nfs/dbraw/zinc/54/55/26/1311545526.db2.gz YWJQRIGGRPCWEE-XLIONFOSSA-N 1 3 341.499 2.980 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001014504098 1311547268 /nfs/dbraw/zinc/54/72/68/1311547268.db2.gz UTYBYKOXWDSWJV-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001014504098 1311547271 /nfs/dbraw/zinc/54/72/71/1311547271.db2.gz UTYBYKOXWDSWJV-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cs1 ZINC001225582715 1311548114 /nfs/dbraw/zinc/54/81/14/1311548114.db2.gz RHCOPSYYRLELEN-UHFFFAOYSA-N 1 3 337.533 2.725 20 0 EFADHO CN1CCN(Cc2ccc(Nc3ccc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001159616385 1311552679 /nfs/dbraw/zinc/55/26/79/1311552679.db2.gz YFQLDLOVMDRSLP-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO CCC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627901 1311555212 /nfs/dbraw/zinc/55/52/12/1311555212.db2.gz BNLAQGNFFMRXPB-ZMBJWTFHSA-N 1 3 333.520 2.965 20 0 EFADHO CCC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627901 1311555215 /nfs/dbraw/zinc/55/52/15/1311555215.db2.gz BNLAQGNFFMRXPB-ZMBJWTFHSA-N 1 3 333.520 2.965 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001159627917 1311555359 /nfs/dbraw/zinc/55/53/59/1311555359.db2.gz BZQZNKJNGZKUFM-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001159627917 1311555361 /nfs/dbraw/zinc/55/53/61/1311555361.db2.gz BZQZNKJNGZKUFM-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO Cc1cc(N2CCC[C@]3(CCN(Cc4cccc(=O)[nH]4)C3)C2)cc[nH+]1 ZINC001277064794 1311565150 /nfs/dbraw/zinc/56/51/50/1311565150.db2.gz PMYQTVAXVCNPII-HXUWFJFHSA-N 1 3 338.455 2.983 20 0 EFADHO [NH3+]C1CCN(c2cccc(NCC(F)(F)c3ccccn3)n2)CC1 ZINC001159795266 1311586217 /nfs/dbraw/zinc/58/62/17/1311586217.db2.gz MOZLLILGZLPMJB-UHFFFAOYSA-N 1 3 333.386 2.608 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCCc3ccc(F)cc32)CCC1 ZINC001159854763 1311597363 /nfs/dbraw/zinc/59/73/63/1311597363.db2.gz SMGCXYIQWAPIOO-SFHVURJKSA-N 1 3 347.478 2.783 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001159862178 1311599560 /nfs/dbraw/zinc/59/95/60/1311599560.db2.gz YSVXGRWNXPHNTD-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl)C1CC1 ZINC001159915717 1311607767 /nfs/dbraw/zinc/60/77/67/1311607767.db2.gz MKROSZGNFAEYTN-ROUUACIJSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)C1CC1 ZINC001159915645 1311607974 /nfs/dbraw/zinc/60/79/74/1311607974.db2.gz LJVXOZJMBUVUKS-RBUKOAKNSA-N 1 3 347.478 2.639 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159931233 1311611598 /nfs/dbraw/zinc/61/15/98/1311611598.db2.gz BGRYIRVGRSNXQX-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159932640 1311611763 /nfs/dbraw/zinc/61/17/63/1311611763.db2.gz UANWBLMZVZJRSD-QGZVFWFLSA-N 1 3 337.895 2.585 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC001159931577 1311611795 /nfs/dbraw/zinc/61/17/95/1311611795.db2.gz FNHYLSCCFVTENK-XLIONFOSSA-N 1 3 343.515 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001159931458 1311611856 /nfs/dbraw/zinc/61/18/56/1311611856.db2.gz CXNXFMMMLBYXTC-RBUKOAKNSA-N 1 3 329.488 2.500 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159931661 1311611862 /nfs/dbraw/zinc/61/18/62/1311611862.db2.gz HSDUAEQDLNQKHC-VQIMIIECSA-N 1 3 331.504 2.801 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)C1CC1 ZINC001159932170 1311611979 /nfs/dbraw/zinc/61/19/79/1311611979.db2.gz NYDGKOSBMKZFJA-INIZCTEOSA-N 1 3 339.430 2.560 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1)C1CCC1 ZINC001159997100 1311626582 /nfs/dbraw/zinc/62/65/82/1311626582.db2.gz FXCUMVDMGJGYII-UHFFFAOYSA-N 1 3 345.512 2.982 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cc(F)ccc1F ZINC001160003681 1311627514 /nfs/dbraw/zinc/62/75/14/1311627514.db2.gz ZRWSIZXRFVHPPY-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1F ZINC001160003412 1311627561 /nfs/dbraw/zinc/62/75/61/1311627561.db2.gz NLSOYTOZPCXCNO-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014625023 1311630879 /nfs/dbraw/zinc/63/08/79/1311630879.db2.gz DEMYBLSOCNZMTB-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014625023 1311630880 /nfs/dbraw/zinc/63/08/80/1311630880.db2.gz DEMYBLSOCNZMTB-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001014627601 1311633036 /nfs/dbraw/zinc/63/30/36/1311633036.db2.gz HPZJCLWXTLYFSS-VQTJNVASSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001014627601 1311633040 /nfs/dbraw/zinc/63/30/40/1311633040.db2.gz HPZJCLWXTLYFSS-VQTJNVASSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001048281069 1311633793 /nfs/dbraw/zinc/63/37/93/1311633793.db2.gz QQRIABINWIKPDE-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630129 1311634004 /nfs/dbraw/zinc/63/40/04/1311634004.db2.gz MNWFMLHZESOBFG-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630129 1311634006 /nfs/dbraw/zinc/63/40/06/1311634006.db2.gz MNWFMLHZESOBFG-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014631104 1311634613 /nfs/dbraw/zinc/63/46/13/1311634613.db2.gz OFDDEIRLPUMZCR-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014631104 1311634617 /nfs/dbraw/zinc/63/46/17/1311634617.db2.gz OFDDEIRLPUMZCR-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001048282186 1311634866 /nfs/dbraw/zinc/63/48/66/1311634866.db2.gz XVRSTBVMGALHMC-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014632033 1311635386 /nfs/dbraw/zinc/63/53/86/1311635386.db2.gz QHIJUPHNFXUKKQ-MSOLQXFVSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014632033 1311635390 /nfs/dbraw/zinc/63/53/90/1311635390.db2.gz QHIJUPHNFXUKKQ-MSOLQXFVSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001014633741 1311635892 /nfs/dbraw/zinc/63/58/92/1311635892.db2.gz SUJUPIMVKZWSQZ-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001014633741 1311635894 /nfs/dbraw/zinc/63/58/94/1311635894.db2.gz SUJUPIMVKZWSQZ-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001014635900 1311637152 /nfs/dbraw/zinc/63/71/52/1311637152.db2.gz XRHYZTXFLZKBQS-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001014635900 1311637154 /nfs/dbraw/zinc/63/71/54/1311637154.db2.gz XRHYZTXFLZKBQS-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014639264 1311638679 /nfs/dbraw/zinc/63/86/79/1311638679.db2.gz MZZAELNYSOBNQE-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014639264 1311638682 /nfs/dbraw/zinc/63/86/82/1311638682.db2.gz MZZAELNYSOBNQE-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014639262 1311638936 /nfs/dbraw/zinc/63/89/36/1311638936.db2.gz MZZAELNYSOBNQE-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014639262 1311638940 /nfs/dbraw/zinc/63/89/40/1311638940.db2.gz MZZAELNYSOBNQE-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CN1CCc2ccc(Nc3ccc(CN4CC[NH2+]CC4)cc3)cc2C1 ZINC001160241871 1311670410 /nfs/dbraw/zinc/67/04/10/1311670410.db2.gz PUVXEWCUAGTWQB-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO Cc1cc(Nc2ccc3c(c2)CN(C)CC3)cnc1N1CC[NH2+]CC1 ZINC001160241965 1311670634 /nfs/dbraw/zinc/67/06/34/1311670634.db2.gz TZFGVPAXAHJUNP-UHFFFAOYSA-N 1 3 337.471 2.531 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)C1CC1 ZINC001160352243 1311695412 /nfs/dbraw/zinc/69/54/12/1311695412.db2.gz DZNWWCUYJQRCBW-HXUWFJFHSA-N 1 3 345.531 2.965 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)C1CC1 ZINC001160352243 1311695415 /nfs/dbraw/zinc/69/54/15/1311695415.db2.gz DZNWWCUYJQRCBW-HXUWFJFHSA-N 1 3 345.531 2.965 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226613520 1311696369 /nfs/dbraw/zinc/69/63/69/1311696369.db2.gz JTQKZHCMXGCNKA-KFWWJZLASA-N 1 3 349.441 2.830 20 0 EFADHO CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360889 1311697293 /nfs/dbraw/zinc/69/72/93/1311697293.db2.gz YDGFLNZQQKVDCA-SFFCAUCYSA-N 1 3 333.520 2.821 20 0 EFADHO CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360889 1311697296 /nfs/dbraw/zinc/69/72/96/1311697296.db2.gz YDGFLNZQQKVDCA-SFFCAUCYSA-N 1 3 333.520 2.821 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160420921 1311706797 /nfs/dbraw/zinc/70/67/97/1311706797.db2.gz LPCKUQJYYFPMIM-IBGZPJMESA-N 1 3 349.519 2.656 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001160421848 1311706954 /nfs/dbraw/zinc/70/69/54/1311706954.db2.gz VGSIWQHERWAJOK-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)N(C)C ZINC001160427122 1311707374 /nfs/dbraw/zinc/70/73/74/1311707374.db2.gz NHIXHLJUBZQHHJ-CWRQFWGNSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F)N(C)C ZINC001160433168 1311708550 /nfs/dbraw/zinc/70/85/50/1311708550.db2.gz IXLRNYXQXQMYHV-GUYCJALGSA-N 1 3 341.446 2.708 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096344561 1311710980 /nfs/dbraw/zinc/71/09/80/1311710980.db2.gz OLVZVQNVOXMLSL-YRPNKDGESA-N 1 3 341.499 2.558 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)c1 ZINC001096344561 1311710985 /nfs/dbraw/zinc/71/09/85/1311710985.db2.gz OLVZVQNVOXMLSL-YRPNKDGESA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(CN2CCO[C@@H](CN[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000902403232 1311713888 /nfs/dbraw/zinc/71/38/88/1311713888.db2.gz FSSYWZRBUFJMDN-PMACEKPBSA-N 1 3 345.531 2.564 20 0 EFADHO C[NH2+]CC1CCN(C(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)CC1 ZINC001160459418 1311714334 /nfs/dbraw/zinc/71/43/34/1311714334.db2.gz LBAGNFKMHYBJMZ-OAHLLOKOSA-N 1 3 344.286 2.841 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902403977 1311714465 /nfs/dbraw/zinc/71/44/65/1311714465.db2.gz GUKKKEIJQFURFB-PMACEKPBSA-N 1 3 345.531 2.564 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096348321 1311714548 /nfs/dbraw/zinc/71/45/48/1311714548.db2.gz KBXJUZMNZXXSPW-LMCOJAPRSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001096348321 1311714551 /nfs/dbraw/zinc/71/45/51/1311714551.db2.gz KBXJUZMNZXXSPW-LMCOJAPRSA-N 1 3 341.499 2.558 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001226800431 1311725095 /nfs/dbraw/zinc/72/50/95/1311725095.db2.gz KUUSZCVGCLSFGD-KZNAEPCWSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)cs1 ZINC001226801471 1311725488 /nfs/dbraw/zinc/72/54/88/1311725488.db2.gz YETYEMFVMKTGQI-KZNAEPCWSA-N 1 3 349.544 2.914 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001160523340 1311728029 /nfs/dbraw/zinc/72/80/29/1311728029.db2.gz AONQKTQFYPLAGF-LJQANCHMSA-N 1 3 325.456 2.612 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048386030 1311731229 /nfs/dbraw/zinc/73/12/29/1311731229.db2.gz GPDYUVXPAYURTR-PKOBYXMFSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC001048416984 1311754636 /nfs/dbraw/zinc/75/46/36/1311754636.db2.gz HVPQGNMSSWIIAZ-QUCCMNQESA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)nc2c1CCNC2 ZINC001160664401 1311754683 /nfs/dbraw/zinc/75/46/83/1311754683.db2.gz FDCPZMHRCLLSIR-CQSZACIVSA-N 1 3 344.890 2.982 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001048418121 1311755393 /nfs/dbraw/zinc/75/53/93/1311755393.db2.gz PQCDNFKFECCCMS-AEFFLSMTSA-N 1 3 349.544 2.664 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)N(C)C ZINC001227057678 1311757083 /nfs/dbraw/zinc/75/70/83/1311757083.db2.gz YKKZLZKXJDKWMG-GUDVDZBRSA-N 1 3 349.494 2.725 20 0 EFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@@H](N)CCC[NH3+] ZINC001160674399 1311757078 /nfs/dbraw/zinc/75/70/78/1311757078.db2.gz MPSFMRHNOOVALZ-NSHDSACASA-N 1 3 325.865 2.579 20 0 EFADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC001160695343 1311761880 /nfs/dbraw/zinc/76/18/80/1311761880.db2.gz KQIARUMAFNDGMI-WFASDCNBSA-N 1 3 343.393 2.553 20 0 EFADHO O=C([C@@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2)N1CC=CC1 ZINC001277183061 1311765861 /nfs/dbraw/zinc/76/58/61/1311765861.db2.gz LARPAOKJXUMAPI-PZJWPPBQSA-N 1 3 345.531 2.753 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF ZINC001227150662 1311769245 /nfs/dbraw/zinc/76/92/45/1311769245.db2.gz YCWUUWRGRLYEEP-HZPDHXFCSA-N 1 3 329.504 2.874 20 0 EFADHO FC(F)(F)[C@H]1C[NH2+]CC[C@@H]1Nc1ncccc1CN1CCCC1 ZINC001160747358 1311773294 /nfs/dbraw/zinc/77/32/94/1311773294.db2.gz ISUNLAKZFWYILH-KBPBESRZSA-N 1 3 328.382 2.630 20 0 EFADHO Cc1nc(NCCN2CCC(F)(F)CC2)cc(N2CCCC2)[nH+]1 ZINC001160747066 1311773542 /nfs/dbraw/zinc/77/35/42/1311773542.db2.gz GOUQTJGQYWDZIP-UHFFFAOYSA-N 1 3 325.407 2.528 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001227217946 1311778297 /nfs/dbraw/zinc/77/82/97/1311778297.db2.gz RIISFWQDCVWUPV-HZPDHXFCSA-N 1 3 327.488 2.626 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCCF ZINC001227217946 1311778298 /nfs/dbraw/zinc/77/82/98/1311778298.db2.gz RIISFWQDCVWUPV-HZPDHXFCSA-N 1 3 327.488 2.626 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1F)N(C)C ZINC001160883489 1311803130 /nfs/dbraw/zinc/80/31/30/1311803130.db2.gz OQMQIWCDLAKNOH-IUODEOHRSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001160889731 1311803603 /nfs/dbraw/zinc/80/36/03/1311803603.db2.gz QPHMPRUPJTVIIE-DNVCBOLYSA-N 1 3 331.504 2.672 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001160889268 1311803618 /nfs/dbraw/zinc/80/36/18/1311803618.db2.gz GKUOFJDIZOXJLF-HXUWFJFHSA-N 1 3 341.499 2.818 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001160889302 1311803873 /nfs/dbraw/zinc/80/38/73/1311803873.db2.gz HMVWUKYQHAYXGV-BLLLJJGKSA-N 1 3 343.874 2.976 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCCCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001227443398 1311807328 /nfs/dbraw/zinc/80/73/28/1311807328.db2.gz JMQZNJLTADSQKQ-UKRRQHHQSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(CCCCC(F)(F)F)CC2)CC[N@H+]1C ZINC001227443398 1311807331 /nfs/dbraw/zinc/80/73/31/1311807331.db2.gz JMQZNJLTADSQKQ-UKRRQHHQSA-N 1 3 349.441 2.640 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160941567 1311816418 /nfs/dbraw/zinc/81/64/18/1311816418.db2.gz UQMIGPSNQFCDAV-IRXDYDNUSA-N 1 3 339.430 2.688 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160956251 1311821464 /nfs/dbraw/zinc/82/14/64/1311821464.db2.gz HVNNLGDGDGIYLB-WDSOQIARSA-N 1 3 331.504 2.586 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCCC[NH2+]C1 ZINC001160956521 1311821566 /nfs/dbraw/zinc/82/15/66/1311821566.db2.gz OAFZZXLOWRYOOR-SXLOBPIMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)CC1CC[NH2+]CC1 ZINC001160958406 1311821706 /nfs/dbraw/zinc/82/17/06/1311821706.db2.gz VYXRMHDHQQAUJY-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO C[NH2+]CCCC(=O)N(C)C[C@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001160958479 1311822076 /nfs/dbraw/zinc/82/20/76/1311822076.db2.gz XHHSXROHXCWDNB-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965965 1311828922 /nfs/dbraw/zinc/82/89/22/1311828922.db2.gz WRNDPIZLIZXOQE-SJLPKXTDSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965965 1311828924 /nfs/dbraw/zinc/82/89/24/1311828924.db2.gz WRNDPIZLIZXOQE-SJLPKXTDSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001014965965 1311828925 /nfs/dbraw/zinc/82/89/25/1311828925.db2.gz WRNDPIZLIZXOQE-SJLPKXTDSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC001014965965 1311828928 /nfs/dbraw/zinc/82/89/28/1311828928.db2.gz WRNDPIZLIZXOQE-SJLPKXTDSA-N 1 3 349.906 2.557 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@H](C)C[C@@H]2COCCN2)c1 ZINC000902528914 1311839101 /nfs/dbraw/zinc/83/91/01/1311839101.db2.gz SSDVVPSUSNOLPP-SJLPKXTDSA-N 1 3 335.492 2.586 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCC2=CCN(Cc3ccsc3)CC2)CC1 ZINC001161029049 1311841499 /nfs/dbraw/zinc/84/14/99/1311841499.db2.gz KUXZDFZKAPSINV-UHFFFAOYSA-N 1 3 347.528 2.728 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)[C@@H](C1CC1)N1CCCC1 ZINC001227704425 1311842688 /nfs/dbraw/zinc/84/26/88/1311842688.db2.gz YQKFUFJUTQLDHE-TWEFDCCFSA-N 1 3 339.911 2.630 20 0 EFADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161045383 1311845739 /nfs/dbraw/zinc/84/57/39/1311845739.db2.gz CSFGGFAMWXDIJI-AUUYWEPGSA-N 1 3 325.456 2.686 20 0 EFADHO CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161060269 1311848407 /nfs/dbraw/zinc/84/84/07/1311848407.db2.gz ASFRHHWXIVZNEB-QLFBSQMISA-N 1 3 343.393 2.824 20 0 EFADHO CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161060271 1311848643 /nfs/dbraw/zinc/84/86/43/1311848643.db2.gz ASFRHHWXIVZNEB-SOUVJXGZSA-N 1 3 343.393 2.824 20 0 EFADHO CN(C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161064356 1311850518 /nfs/dbraw/zinc/85/05/18/1311850518.db2.gz PMLSGMAZCPTWCT-RCCFBDPRSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227796884 1311857336 /nfs/dbraw/zinc/85/73/36/1311857336.db2.gz DCXMVPXIBXVXNA-AUUYWEPGSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c(C)s1 ZINC001227798303 1311857890 /nfs/dbraw/zinc/85/78/90/1311857890.db2.gz WQWQJPPHVGKTFN-GOSISDBHSA-N 1 3 349.544 2.786 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)CCC1 ZINC001227806990 1311859197 /nfs/dbraw/zinc/85/91/97/1311859197.db2.gz JOVMUXVICHLMKL-IBGZPJMESA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001227807816 1311859905 /nfs/dbraw/zinc/85/99/05/1311859905.db2.gz XHPLTGSBZFMNLK-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC001227818308 1311860635 /nfs/dbraw/zinc/86/06/35/1311860635.db2.gz UQAZNNWFBVLSHF-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)C1CC1 ZINC001227816649 1311860911 /nfs/dbraw/zinc/86/09/11/1311860911.db2.gz GRXGXRWYOCEFTE-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227817078 1311860928 /nfs/dbraw/zinc/86/09/28/1311860928.db2.gz JLFNCQNAGLDGHY-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(CC(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1)C1CCC1 ZINC001227825876 1311861945 /nfs/dbraw/zinc/86/19/45/1311861945.db2.gz SAJLGDDQSJIOJB-UHFFFAOYSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227825475 1311862091 /nfs/dbraw/zinc/86/20/91/1311862091.db2.gz LCXKXHXJJGENPO-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c(C)c1 ZINC001227832091 1311863120 /nfs/dbraw/zinc/86/31/20/1311863120.db2.gz CNNQABIIZTVLIC-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCCc2ccccc2)CC1)C1CCC1 ZINC001227832530 1311863775 /nfs/dbraw/zinc/86/37/75/1311863775.db2.gz KIYHSYVJTAGVAQ-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCN(C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001227899417 1311871179 /nfs/dbraw/zinc/87/11/79/1311871179.db2.gz FUQMTWHEKJKHNT-ZBWUASRJSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001227900113 1311871293 /nfs/dbraw/zinc/87/12/93/1311871293.db2.gz NVOOXOBOMTTZFO-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900282 1311871954 /nfs/dbraw/zinc/87/19/54/1311871954.db2.gz KWAOPCPGBONVTD-BZUAXINKSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001227908483 1311872296 /nfs/dbraw/zinc/87/22/96/1311872296.db2.gz PCHUMBCQXRNOPB-FQEVSTJZSA-N 1 3 345.531 2.786 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cs1 ZINC001227907803 1311872308 /nfs/dbraw/zinc/87/23/08/1311872308.db2.gz GZMYLQOAVOSKRD-KRWDZBQOSA-N 1 3 337.533 2.723 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2C)CC1)N(C)C ZINC001227979152 1311882599 /nfs/dbraw/zinc/88/25/99/1311882599.db2.gz AICQVUNPBGNABK-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015052823 1311883261 /nfs/dbraw/zinc/88/32/61/1311883261.db2.gz OARGIFXHBVDYIK-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015052823 1311883266 /nfs/dbraw/zinc/88/32/66/1311883266.db2.gz OARGIFXHBVDYIK-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015052824 1311883435 /nfs/dbraw/zinc/88/34/35/1311883435.db2.gz OARGIFXHBVDYIK-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015052824 1311883438 /nfs/dbraw/zinc/88/34/38/1311883438.db2.gz OARGIFXHBVDYIK-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1ccc(C(C)(C)C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161445125 1311891463 /nfs/dbraw/zinc/89/14/63/1311891463.db2.gz OBOCQHXRMAUMQL-IBGZPJMESA-N 1 3 345.531 2.669 20 0 EFADHO Cc1cc(F)cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c1Cl ZINC001161449147 1311891956 /nfs/dbraw/zinc/89/19/56/1311891956.db2.gz KBNGDBWLMYXYCX-CQSZACIVSA-N 1 3 341.858 2.543 20 0 EFADHO CC(C)Cc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161449859 1311892396 /nfs/dbraw/zinc/89/23/96/1311892396.db2.gz ULTKSSJPDXCNNT-LJQANCHMSA-N 1 3 331.504 2.641 20 0 EFADHO CC(C)Cc1ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161449858 1311892422 /nfs/dbraw/zinc/89/24/22/1311892422.db2.gz ULTKSSJPDXCNNT-IBGZPJMESA-N 1 3 331.504 2.641 20 0 EFADHO Cc1c(F)ccc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c1Cl ZINC001161449817 1311892748 /nfs/dbraw/zinc/89/27/48/1311892748.db2.gz SUPQCSINZNXUIT-ZDUSSCGKSA-N 1 3 341.858 2.543 20 0 EFADHO CN(C)CCN(C(=O)c1ccc2ccccc2c1F)[C@@H]1CCC[NH2+]C1 ZINC001161452359 1311893146 /nfs/dbraw/zinc/89/31/46/1311893146.db2.gz QDPJBLQIGOHKMF-MRXNPFEDSA-N 1 3 343.446 2.735 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2sccc21)[C@H]1CCC[NH2+]C1 ZINC001161453043 1311893269 /nfs/dbraw/zinc/89/32/69/1311893269.db2.gz XLVTVIDIOCIAOC-AWEZNQCLSA-N 1 3 331.485 2.657 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001228063879 1311896555 /nfs/dbraw/zinc/89/65/55/1311896555.db2.gz FBMBIAQOYMWNCZ-MRXNPFEDSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@]1(C[NH3+])CCCN(C(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC001161488659 1311899204 /nfs/dbraw/zinc/89/92/04/1311899204.db2.gz NRHKTNPUVGJWLD-HOCLYGCPSA-N 1 3 343.393 2.683 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001161504338 1311902042 /nfs/dbraw/zinc/90/20/42/1311902042.db2.gz ILADTIRIGQXMBB-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001161504338 1311902046 /nfs/dbraw/zinc/90/20/46/1311902046.db2.gz ILADTIRIGQXMBB-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CCCCCF)CC1 ZINC001161504160 1311902188 /nfs/dbraw/zinc/90/21/88/1311902188.db2.gz DQAUYSBYHKWGMP-UHFFFAOYSA-N 1 3 327.488 2.606 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001161504160 1311902191 /nfs/dbraw/zinc/90/21/91/1311902191.db2.gz DQAUYSBYHKWGMP-UHFFFAOYSA-N 1 3 327.488 2.606 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161504788 1311902478 /nfs/dbraw/zinc/90/24/78/1311902478.db2.gz RTJSHSIBZPTJFG-AQNXPRMDSA-N 1 3 347.547 2.903 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161504788 1311902483 /nfs/dbraw/zinc/90/24/83/1311902483.db2.gz RTJSHSIBZPTJFG-AQNXPRMDSA-N 1 3 347.547 2.903 20 0 EFADHO CC(C)=CC[N@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161553506 1311914033 /nfs/dbraw/zinc/91/40/33/1311914033.db2.gz BKYWZVTYYYWPDU-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CC(C)=CC[N@@H+]1CC=C(CCNC(=O)CN2CCC(C)CC2)CC1 ZINC001161553506 1311914035 /nfs/dbraw/zinc/91/40/35/1311914035.db2.gz BKYWZVTYYYWPDU-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cs1 ZINC001015112489 1311919576 /nfs/dbraw/zinc/91/95/76/1311919576.db2.gz DMJNOTITLSJHIA-INIZCTEOSA-N 1 3 340.452 2.709 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)C2)cs1 ZINC001015112489 1311919578 /nfs/dbraw/zinc/91/95/78/1311919578.db2.gz DMJNOTITLSJHIA-INIZCTEOSA-N 1 3 340.452 2.709 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccn4cncc4c3)C2)cs1 ZINC001015112489 1311919579 /nfs/dbraw/zinc/91/95/79/1311919579.db2.gz DMJNOTITLSJHIA-INIZCTEOSA-N 1 3 340.452 2.709 20 0 EFADHO O=C(N[C@H]1CCN(C/C=C\c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015117237 1311922418 /nfs/dbraw/zinc/92/24/18/1311922418.db2.gz DXUCYHLJPZDPIN-OCTSTCLRSA-N 1 3 346.434 2.852 20 0 EFADHO CC[N@H+](C)[C@H](C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161683188 1311950401 /nfs/dbraw/zinc/95/04/01/1311950401.db2.gz PYKZPUXDKUXJGN-IBGZPJMESA-N 1 3 347.478 2.787 20 0 EFADHO CC[N@@H+](C)[C@H](C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161683188 1311950403 /nfs/dbraw/zinc/95/04/03/1311950403.db2.gz PYKZPUXDKUXJGN-IBGZPJMESA-N 1 3 347.478 2.787 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048606413 1311961329 /nfs/dbraw/zinc/96/13/29/1311961329.db2.gz KGGWMYUGZUERLT-GUDVDZBRSA-N 1 3 335.536 2.783 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001228647476 1311975324 /nfs/dbraw/zinc/97/53/24/1311975324.db2.gz UOVIOSGXXCDSDP-KURKYZTESA-N 1 3 335.467 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1)N(C)C ZINC001228661469 1311977512 /nfs/dbraw/zinc/97/75/12/1311977512.db2.gz VHMACGNTBYWWBV-ZACQAIPSSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1cc(CN2CC=C(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001161863236 1311989755 /nfs/dbraw/zinc/98/97/55/1311989755.db2.gz PHALSFDGWOKTPP-SFHVURJKSA-N 1 3 347.528 2.647 20 0 EFADHO Cc1cc(CN2CC=C(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001161863236 1311989759 /nfs/dbraw/zinc/98/97/59/1311989759.db2.gz PHALSFDGWOKTPP-SFHVURJKSA-N 1 3 347.528 2.647 20 0 EFADHO Cc1cc(C[N@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)cs1 ZINC001161879436 1311993458 /nfs/dbraw/zinc/99/34/58/1311993458.db2.gz LXEIMCSQEGBCOC-UHFFFAOYSA-N 1 3 347.528 2.791 20 0 EFADHO Cc1cc(C[N@@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)cs1 ZINC001161879436 1311993461 /nfs/dbraw/zinc/99/34/61/1311993461.db2.gz LXEIMCSQEGBCOC-UHFFFAOYSA-N 1 3 347.528 2.791 20 0 EFADHO CCC[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932044 1312006804 /nfs/dbraw/zinc/00/68/04/1312006804.db2.gz PVFPGHDOMPVQBA-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932044 1312006808 /nfs/dbraw/zinc/00/68/08/1312006808.db2.gz PVFPGHDOMPVQBA-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001161947117 1312011320 /nfs/dbraw/zinc/01/13/20/1312011320.db2.gz YQFZLONTAITCLJ-UHFFFAOYSA-N 1 3 347.478 2.860 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161947117 1312011323 /nfs/dbraw/zinc/01/13/23/1312011323.db2.gz YQFZLONTAITCLJ-UHFFFAOYSA-N 1 3 347.478 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001161953404 1312012555 /nfs/dbraw/zinc/01/25/55/1312012555.db2.gz UREHJSIBOBXUJD-LJQANCHMSA-N 1 3 333.520 2.965 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001161953404 1312012557 /nfs/dbraw/zinc/01/25/57/1312012557.db2.gz UREHJSIBOBXUJD-LJQANCHMSA-N 1 3 333.520 2.965 20 0 EFADHO CC[C@@H](F)CN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953042 1312012691 /nfs/dbraw/zinc/01/26/91/1312012691.db2.gz OZBOCOLNNBTDHU-MSOLQXFVSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@@H](F)CN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953042 1312012693 /nfs/dbraw/zinc/01/26/93/1312012693.db2.gz OZBOCOLNNBTDHU-MSOLQXFVSA-N 1 3 339.499 2.747 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161953065 1312012921 /nfs/dbraw/zinc/01/29/21/1312012921.db2.gz PJYIZEMRARGRKF-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161953065 1312012924 /nfs/dbraw/zinc/01/29/24/1312012924.db2.gz PJYIZEMRARGRKF-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC1 ZINC001228875371 1312013872 /nfs/dbraw/zinc/01/38/72/1312013872.db2.gz XSNIYGRYVWOLED-UHFFFAOYSA-N 1 3 347.478 2.579 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001228879714 1312014453 /nfs/dbraw/zinc/01/44/53/1312014453.db2.gz TUNCRXGVTHCRNE-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889337 1312015592 /nfs/dbraw/zinc/01/55/92/1312015592.db2.gz ZPZFTZOINMLPOT-UHFFFAOYSA-N 1 3 347.478 2.557 20 0 EFADHO CN1CCc2cc(OC[C@@H]3CCC4(CC[NH+](C)CC4)O3)ccc2C1 ZINC001228937290 1312023368 /nfs/dbraw/zinc/02/33/68/1312023368.db2.gz YPWOIFLTESWORV-IBGZPJMESA-N 1 3 330.472 2.697 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001229186078 1312058785 /nfs/dbraw/zinc/05/87/85/1312058785.db2.gz SLHCYJQDYKRSRS-AWEZNQCLSA-N 1 3 349.441 2.784 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC001229215613 1312062781 /nfs/dbraw/zinc/06/27/81/1312062781.db2.gz YQQWBRNUZHSHFV-RTBURBONSA-N 1 3 331.504 2.588 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F ZINC001229231259 1312064979 /nfs/dbraw/zinc/06/49/79/1312064979.db2.gz PHZIVHPWXWSAOW-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1)N(C)C ZINC001229254601 1312068475 /nfs/dbraw/zinc/06/84/75/1312068475.db2.gz WLAIMPZALPXYOJ-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1)N(C)C ZINC001229254100 1312068577 /nfs/dbraw/zinc/06/85/77/1312068577.db2.gz PFCLJFGLSMEDFG-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2ccc(C)cc2)CC1)N(C)C ZINC001229253654 1312068641 /nfs/dbraw/zinc/06/86/41/1312068641.db2.gz JICSYAGFMZNLFW-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902745541 1312071960 /nfs/dbraw/zinc/07/19/60/1312071960.db2.gz QJDFQWRYTWRRSM-AWEZNQCLSA-N 1 3 344.425 2.779 20 0 EFADHO NCc1cc(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)ncn1 ZINC001162233784 1312072280 /nfs/dbraw/zinc/07/22/80/1312072280.db2.gz QNJZZEZTHDDMFS-KRWDZBQOSA-N 1 3 329.423 2.617 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390371 1312090893 /nfs/dbraw/zinc/09/08/93/1312090893.db2.gz CDUXLALDGBLKKQ-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390371 1312090896 /nfs/dbraw/zinc/09/08/96/1312090896.db2.gz CDUXLALDGBLKKQ-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](Nc2nc(N3CCOCC3)cc3ccccc32)C1 ZINC001162395914 1312098114 /nfs/dbraw/zinc/09/81/14/1312098114.db2.gz WXIVZJCBEIJWJY-JKSUJKDBSA-N 1 3 326.444 2.753 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001229462965 1312100399 /nfs/dbraw/zinc/10/03/99/1312100399.db2.gz UTUDBFUNNBEXHB-SFHVURJKSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@H]3CCC[NH2+]C[C@H]3C)cn2)CC1 ZINC001162456123 1312106866 /nfs/dbraw/zinc/10/68/66/1312106866.db2.gz GGQVFRGDGQBLHA-QZTJIDSGSA-N 1 3 345.535 2.660 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@H]3CCC[NH2+]C[C@@H]3C)cn2)CC1 ZINC001162456127 1312106964 /nfs/dbraw/zinc/10/69/64/1312106964.db2.gz GGQVFRGDGQBLHA-ZWKOTPCHSA-N 1 3 345.535 2.660 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001162464882 1312108716 /nfs/dbraw/zinc/10/87/16/1312108716.db2.gz AAJPRDKXIFVSSJ-GJYPPUQNSA-N 1 3 342.487 2.648 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NCc1ccco1 ZINC001277400021 1312115941 /nfs/dbraw/zinc/11/59/41/1312115941.db2.gz YJNKVWTXILNWDJ-KCITZHQASA-N 1 3 347.503 2.584 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001229868206 1312152013 /nfs/dbraw/zinc/15/20/13/1312152013.db2.gz CVTXGJDZIWTBFB-IAGOWNOFSA-N 1 3 337.533 2.915 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1)[NH+]1CCCC1 ZINC001015497406 1312152802 /nfs/dbraw/zinc/15/28/02/1312152802.db2.gz DVWNHFMQFAOMQU-QGZVFWFLSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC001015502294 1312155836 /nfs/dbraw/zinc/15/58/36/1312155836.db2.gz FHIAWTLDRCBJCG-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC001015502294 1312155837 /nfs/dbraw/zinc/15/58/37/1312155837.db2.gz FHIAWTLDRCBJCG-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015503555 1312156352 /nfs/dbraw/zinc/15/63/52/1312156352.db2.gz KHUQRLOWWHCYRO-SJLPKXTDSA-N 1 3 329.488 2.813 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001229908756 1312158008 /nfs/dbraw/zinc/15/80/08/1312158008.db2.gz PRJUTEOSOUDOFA-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC001229908756 1312158009 /nfs/dbraw/zinc/15/80/09/1312158009.db2.gz PRJUTEOSOUDOFA-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001229908757 1312158288 /nfs/dbraw/zinc/15/82/88/1312158288.db2.gz PRJUTEOSOUDOFA-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC001229908757 1312158291 /nfs/dbraw/zinc/15/82/91/1312158291.db2.gz PRJUTEOSOUDOFA-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001229909545 1312158748 /nfs/dbraw/zinc/15/87/48/1312158748.db2.gz YZQZJMWOPFBDRX-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001229909545 1312158752 /nfs/dbraw/zinc/15/87/52/1312158752.db2.gz YZQZJMWOPFBDRX-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC001229909483 1312158878 /nfs/dbraw/zinc/15/88/78/1312158878.db2.gz XDHSOZSCSKHJKG-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC001229909483 1312158879 /nfs/dbraw/zinc/15/88/79/1312158879.db2.gz XDHSOZSCSKHJKG-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cc(N2CCCCC2)ccn1 ZINC001162731344 1312162284 /nfs/dbraw/zinc/16/22/84/1312162284.db2.gz XUWLURPVZRYJFP-KRWDZBQOSA-N 1 3 348.491 2.615 20 0 EFADHO CC(C)=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCN1C ZINC001162746471 1312165997 /nfs/dbraw/zinc/16/59/97/1312165997.db2.gz DMBOAOTZMNVUHW-HXUWFJFHSA-N 1 3 343.515 2.708 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001162762795 1312170146 /nfs/dbraw/zinc/17/01/46/1312170146.db2.gz KYQXHHBVYSTHEO-DZGCQCFKSA-N 1 3 348.454 2.644 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001162766877 1312171723 /nfs/dbraw/zinc/17/17/23/1312171723.db2.gz RAIDKNPDMJGRJU-DOMZBBRYSA-N 1 3 347.426 2.512 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001230101328 1312186178 /nfs/dbraw/zinc/18/61/78/1312186178.db2.gz IGQHPFKGRNWHLD-UHFFFAOYSA-N 1 3 349.494 2.969 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001230101328 1312186180 /nfs/dbraw/zinc/18/61/80/1312186180.db2.gz IGQHPFKGRNWHLD-UHFFFAOYSA-N 1 3 349.494 2.969 20 0 EFADHO CC(C)[C@@H](C(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1)N(C)C ZINC001162836605 1312187221 /nfs/dbraw/zinc/18/72/21/1312187221.db2.gz LGKTVXYZBPNMJA-FQEVSTJZSA-N 1 3 345.531 2.644 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2ccccc2CC)CC1 ZINC001230112973 1312188742 /nfs/dbraw/zinc/18/87/42/1312188742.db2.gz JWCSZUARUXAWQF-UHFFFAOYSA-N 1 3 345.531 2.714 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001230113039 1312189070 /nfs/dbraw/zinc/18/90/70/1312189070.db2.gz OBISKOORSMKFQN-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001230113007 1312189393 /nfs/dbraw/zinc/18/93/93/1312189393.db2.gz MBOCHYWUBZFEPF-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001230115172 1312189434 /nfs/dbraw/zinc/18/94/34/1312189434.db2.gz BREGBQUYMFIXHJ-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)CCC1 ZINC001048860139 1312203141 /nfs/dbraw/zinc/20/31/41/1312203141.db2.gz IGMZCUVQORVBPJ-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC4CCCCC4)C[C@@H]3C2)CCC1 ZINC001048860139 1312203145 /nfs/dbraw/zinc/20/31/45/1312203145.db2.gz IGMZCUVQORVBPJ-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928092 1312205422 /nfs/dbraw/zinc/20/54/22/1312205422.db2.gz FBMHFQCCMGMGEY-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864066 1312206350 /nfs/dbraw/zinc/20/63/50/1312206350.db2.gz BOBSBXKPYXVQLH-QRQLOZEOSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864066 1312206354 /nfs/dbraw/zinc/20/63/54/1312206354.db2.gz BOBSBXKPYXVQLH-QRQLOZEOSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864330 1312206469 /nfs/dbraw/zinc/20/64/69/1312206469.db2.gz WYJBFPSDOKPVBA-ZCNNSNEGSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864330 1312206471 /nfs/dbraw/zinc/20/64/71/1312206471.db2.gz WYJBFPSDOKPVBA-ZCNNSNEGSA-N 1 3 345.531 2.607 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001162934717 1312206752 /nfs/dbraw/zinc/20/67/52/1312206752.db2.gz IYNHIYXLQZPZIM-UHFFFAOYSA-N 1 3 333.520 2.645 20 0 EFADHO CC1CCC(C[N@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)CC1 ZINC001048865185 1312206974 /nfs/dbraw/zinc/20/69/74/1312206974.db2.gz YVXNFKPHDGRYNJ-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@H]3CN(C(=O)CN(C)C4CCC4)C[C@H]3C2)CC1 ZINC001048865185 1312206977 /nfs/dbraw/zinc/20/69/77/1312206977.db2.gz YVXNFKPHDGRYNJ-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946756 1312209016 /nfs/dbraw/zinc/20/90/16/1312209016.db2.gz PQHPSXOWSICIDA-KRWDZBQOSA-N 1 3 342.487 2.659 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603783 1312209445 /nfs/dbraw/zinc/20/94/45/1312209445.db2.gz YGNZZPKNBQSGFA-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603783 1312209449 /nfs/dbraw/zinc/20/94/49/1312209449.db2.gz YGNZZPKNBQSGFA-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO CCN(CC)CC(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162959822 1312212487 /nfs/dbraw/zinc/21/24/87/1312212487.db2.gz BVCGUBJHNRRRMB-UHFFFAOYSA-N 1 3 333.520 2.645 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001162964297 1312213240 /nfs/dbraw/zinc/21/32/40/1312213240.db2.gz VNSOAMNRTSMHTK-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001163006250 1312224290 /nfs/dbraw/zinc/22/42/90/1312224290.db2.gz AXRXWOJQUOJTKO-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001048888483 1312226418 /nfs/dbraw/zinc/22/64/18/1312226418.db2.gz QIPLAJIAGNKIAQ-OAFZBRQQSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001048888483 1312226422 /nfs/dbraw/zinc/22/64/22/1312226422.db2.gz QIPLAJIAGNKIAQ-OAFZBRQQSA-N 1 3 347.478 2.617 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001230366689 1312230072 /nfs/dbraw/zinc/23/00/72/1312230072.db2.gz CZYKYCBZVWVSSE-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001230367292 1312230504 /nfs/dbraw/zinc/23/05/04/1312230504.db2.gz URGUGIDFLQRVFM-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccccc1CC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230366694 1312230608 /nfs/dbraw/zinc/23/06/08/1312230608.db2.gz DIBCNWSAMMUOJN-UHFFFAOYSA-N 1 3 345.531 2.712 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230374282 1312232402 /nfs/dbraw/zinc/23/24/02/1312232402.db2.gz NBXGJXKQPJACAH-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C)nc(-c2ccsc2)n1 ZINC001163128190 1312246453 /nfs/dbraw/zinc/24/64/53/1312246453.db2.gz DLUNRPTVJROLEC-UHFFFAOYSA-N 1 3 332.477 2.792 20 0 EFADHO COC(=O)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000902972356 1312252393 /nfs/dbraw/zinc/25/23/93/1312252393.db2.gz CTMCQOKXAKOQQC-DLBZAZTESA-N 1 3 348.487 2.933 20 0 EFADHO COC(=O)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000902972356 1312252396 /nfs/dbraw/zinc/25/23/96/1312252396.db2.gz CTMCQOKXAKOQQC-DLBZAZTESA-N 1 3 348.487 2.933 20 0 EFADHO COc1cc2[nH+]ccc(N[C@H]3CNCc4ccsc43)c2cc1OC ZINC001163228593 1312269708 /nfs/dbraw/zinc/26/97/08/1312269708.db2.gz LFCOLUCMGAILHA-HNNXBMFYSA-N 1 3 341.436 2.992 20 0 EFADHO COc1cccc2c1OC[C@@H]2Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001163229216 1312270046 /nfs/dbraw/zinc/27/00/46/1312270046.db2.gz JYUBUNCTGHBKLZ-HNNXBMFYSA-N 1 3 340.427 2.563 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610625 1312282321 /nfs/dbraw/zinc/28/23/21/1312282321.db2.gz FHPAGWGSJRBYGN-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610625 1312282325 /nfs/dbraw/zinc/28/23/25/1312282325.db2.gz FHPAGWGSJRBYGN-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230611537 1312283624 /nfs/dbraw/zinc/28/36/24/1312283624.db2.gz UOHQEYSZGZSJQD-FUHWJXTLSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230611537 1312283628 /nfs/dbraw/zinc/28/36/28/1312283628.db2.gz UOHQEYSZGZSJQD-FUHWJXTLSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230617886 1312285707 /nfs/dbraw/zinc/28/57/07/1312285707.db2.gz HJKCKHDUOFRXGU-AEFFLSMTSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230617886 1312285710 /nfs/dbraw/zinc/28/57/10/1312285710.db2.gz HJKCKHDUOFRXGU-AEFFLSMTSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230617890 1312286030 /nfs/dbraw/zinc/28/60/30/1312286030.db2.gz HJKCKHDUOFRXGU-SJLPKXTDSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230617890 1312286034 /nfs/dbraw/zinc/28/60/34/1312286034.db2.gz HJKCKHDUOFRXGU-SJLPKXTDSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163316807 1312287958 /nfs/dbraw/zinc/28/79/58/1312287958.db2.gz QVCFNTSYNBDVBH-GJYPPUQNSA-N 1 3 330.476 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230629241 1312290701 /nfs/dbraw/zinc/29/07/01/1312290701.db2.gz MPRRQEOPCAHDCA-WMZOPIPTSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230629241 1312290703 /nfs/dbraw/zinc/29/07/03/1312290703.db2.gz MPRRQEOPCAHDCA-WMZOPIPTSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230631343 1312290942 /nfs/dbraw/zinc/29/09/42/1312290942.db2.gz ZFUJKIOGJJASDF-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230631343 1312290943 /nfs/dbraw/zinc/29/09/43/1312290943.db2.gz ZFUJKIOGJJASDF-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705859 1312291433 /nfs/dbraw/zinc/29/14/33/1312291433.db2.gz QLHBUEBYYYPQTE-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705859 1312291437 /nfs/dbraw/zinc/29/14/37/1312291437.db2.gz QLHBUEBYYYPQTE-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903066893 1312322121 /nfs/dbraw/zinc/32/21/21/1312322121.db2.gz MJMIIYUJNIKQEN-KRIYCRJKSA-N 1 3 349.563 2.871 20 0 EFADHO CCC(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903066893 1312322125 /nfs/dbraw/zinc/32/21/25/1312322125.db2.gz MJMIIYUJNIKQEN-KRIYCRJKSA-N 1 3 349.563 2.871 20 0 EFADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903074920 1312329225 /nfs/dbraw/zinc/32/92/25/1312329225.db2.gz PSWFBDBIWCQQES-CQSZACIVSA-N 1 3 337.508 2.896 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076468 1312329607 /nfs/dbraw/zinc/32/96/07/1312329607.db2.gz QNTYHHNYJGOILG-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076468 1312329611 /nfs/dbraw/zinc/32/96/11/1312329611.db2.gz QNTYHHNYJGOILG-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076468 1312329614 /nfs/dbraw/zinc/32/96/14/1312329614.db2.gz QNTYHHNYJGOILG-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN(C)C1CCC1)Cc1cccnc1 ZINC001230778280 1312338525 /nfs/dbraw/zinc/33/85/25/1312338525.db2.gz MUMAAXHIAAXLGR-UHFFFAOYSA-N 1 3 346.519 2.674 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN(C)C1CCC1)Cc1cccnc1 ZINC001230778280 1312338529 /nfs/dbraw/zinc/33/85/29/1312338529.db2.gz MUMAAXHIAAXLGR-UHFFFAOYSA-N 1 3 346.519 2.674 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001015795294 1312365598 /nfs/dbraw/zinc/36/55/98/1312365598.db2.gz OACSUXGSSBVEPU-IAGOWNOFSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795294 1312365603 /nfs/dbraw/zinc/36/56/03/1312365603.db2.gz OACSUXGSSBVEPU-IAGOWNOFSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795294 1312365606 /nfs/dbraw/zinc/36/56/06/1312365606.db2.gz OACSUXGSSBVEPU-IAGOWNOFSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001015795295 1312365648 /nfs/dbraw/zinc/36/56/48/1312365648.db2.gz OACSUXGSSBVEPU-IRXDYDNUSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795295 1312365652 /nfs/dbraw/zinc/36/56/52/1312365652.db2.gz OACSUXGSSBVEPU-IRXDYDNUSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795295 1312365655 /nfs/dbraw/zinc/36/56/55/1312365655.db2.gz OACSUXGSSBVEPU-IRXDYDNUSA-N 1 3 349.544 2.746 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001015796097 1312367097 /nfs/dbraw/zinc/36/70/97/1312367097.db2.gz JEBVOSCRUWMIDV-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO c1ccc2c(c1)OC[C@H](CCNC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903123880 1312379387 /nfs/dbraw/zinc/37/93/87/1312379387.db2.gz CIUWWUJNVQROAX-ONQFOCNCSA-N 1 3 328.456 2.964 20 0 EFADHO c1ccc2c(c1)OC[C@H](CCNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O2 ZINC000903123880 1312379390 /nfs/dbraw/zinc/37/93/90/1312379390.db2.gz CIUWWUJNVQROAX-ONQFOCNCSA-N 1 3 328.456 2.964 20 0 EFADHO CCN(CCCNC(=O)C1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC001230891221 1312384284 /nfs/dbraw/zinc/38/42/84/1312384284.db2.gz PRMWRHJTEBNNSV-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(Cc1ccccc1C)C2 ZINC001277470445 1312389084 /nfs/dbraw/zinc/38/90/84/1312389084.db2.gz RPFMSEZUDOAUAW-IBGZPJMESA-N 1 3 343.515 2.617 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049039127 1312391722 /nfs/dbraw/zinc/39/17/22/1312391722.db2.gz OTVMSNVYVHMGEM-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049039127 1312391726 /nfs/dbraw/zinc/39/17/26/1312391726.db2.gz OTVMSNVYVHMGEM-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CCCCC[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230931797 1312394953 /nfs/dbraw/zinc/39/49/53/1312394953.db2.gz GAYWSYCZHILCCP-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO CCCCC[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230931797 1312394957 /nfs/dbraw/zinc/39/49/57/1312394957.db2.gz GAYWSYCZHILCCP-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001049057922 1312413319 /nfs/dbraw/zinc/41/33/19/1312413319.db2.gz SIDFZGBLECAXBB-YSIASYRMSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001049057922 1312413321 /nfs/dbraw/zinc/41/33/21/1312413321.db2.gz SIDFZGBLECAXBB-YSIASYRMSA-N 1 3 345.531 2.751 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@@H]2CCN(C/C=C\c3ccccc3)C2)CC1 ZINC001015890218 1312426768 /nfs/dbraw/zinc/42/67/68/1312426768.db2.gz KETQSGYMNSSZNG-DASIIQCKSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097427 1312452643 /nfs/dbraw/zinc/45/26/43/1312452643.db2.gz LRLXWFMQPGGWML-CEXWTWQISA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097427 1312452646 /nfs/dbraw/zinc/45/26/46/1312452646.db2.gz LRLXWFMQPGGWML-CEXWTWQISA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097876 1312453566 /nfs/dbraw/zinc/45/35/66/1312453566.db2.gz VVEXFBOQXWDWSC-OTWHNJEPSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097876 1312453568 /nfs/dbraw/zinc/45/35/68/1312453568.db2.gz VVEXFBOQXWDWSC-OTWHNJEPSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001015929953 1312453906 /nfs/dbraw/zinc/45/39/06/1312453906.db2.gz GBPCWJARGLYJDX-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903205529 1312462289 /nfs/dbraw/zinc/46/22/89/1312462289.db2.gz CKAPIWCUHKFQFS-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO COc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c2ccc(C)nc12 ZINC001164213375 1312470201 /nfs/dbraw/zinc/47/02/01/1312470201.db2.gz UDJYZCPRDZWELA-UHFFFAOYSA-N 1 3 342.487 2.990 20 0 EFADHO CN(C)C1(CNc2cccc(-c3cncn3C)c2)CC[NH+](C)CC1 ZINC001164217533 1312470594 /nfs/dbraw/zinc/47/05/94/1312470594.db2.gz WGCKMWLHIFBOKH-UHFFFAOYSA-N 1 3 327.476 2.525 20 0 EFADHO COc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1OC(=O)C(C)C ZINC001231530870 1312520407 /nfs/dbraw/zinc/52/04/07/1312520407.db2.gz ZQMLSVHPKHWYSO-UHFFFAOYSA-N 1 3 346.471 2.784 20 0 EFADHO COCCCOc1cc(CN2CCC3(C[NH+](C)C3)CC2)ccc1OC ZINC001231610948 1312531317 /nfs/dbraw/zinc/53/13/17/1312531317.db2.gz WGADUURQZBXCPB-UHFFFAOYSA-N 1 3 348.487 2.638 20 0 EFADHO COCCCOc1cc(C[NH+]2CCC3(CN(C)C3)CC2)ccc1OC ZINC001231610948 1312531319 /nfs/dbraw/zinc/53/13/19/1312531319.db2.gz WGADUURQZBXCPB-UHFFFAOYSA-N 1 3 348.487 2.638 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001165080858 1312563995 /nfs/dbraw/zinc/56/39/95/1312563995.db2.gz CMYQEANQQGMYJG-PMACEKPBSA-N 1 3 336.483 2.854 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)c1 ZINC001165080858 1312563999 /nfs/dbraw/zinc/56/39/99/1312563999.db2.gz CMYQEANQQGMYJG-PMACEKPBSA-N 1 3 336.483 2.854 20 0 EFADHO c1ccc([C@@]23C[NH2+]C[C@H]2CN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001165168575 1312580899 /nfs/dbraw/zinc/58/08/99/1312580899.db2.gz LMDAPRCSRCAYLX-UNMCSNQZSA-N 1 3 348.494 2.655 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231765 1312606053 /nfs/dbraw/zinc/60/60/53/1312606053.db2.gz KGBHRGCGYIGOKK-FFZOFVMBSA-N 1 3 343.515 2.798 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231765 1312606055 /nfs/dbraw/zinc/60/60/55/1312606055.db2.gz KGBHRGCGYIGOKK-FFZOFVMBSA-N 1 3 343.515 2.798 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231782 1312606130 /nfs/dbraw/zinc/60/61/30/1312606130.db2.gz KYLQZKYMUWEZOF-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231782 1312606134 /nfs/dbraw/zinc/60/61/34/1312606134.db2.gz KYLQZKYMUWEZOF-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO COC(=O)[C@@H]1C[N@H+](Cc2cc3cnccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232019370 1312606625 /nfs/dbraw/zinc/60/66/25/1312606625.db2.gz YEBDTPWBLIHXOP-ZWKOTPCHSA-N 1 3 335.407 2.952 20 0 EFADHO COC(=O)[C@@H]1C[N@@H+](Cc2cc3cnccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232019370 1312606627 /nfs/dbraw/zinc/60/66/27/1312606627.db2.gz YEBDTPWBLIHXOP-ZWKOTPCHSA-N 1 3 335.407 2.952 20 0 EFADHO COC(=O)[C@@H]1C[N@H+](Cc2cc3cnccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232019368 1312606815 /nfs/dbraw/zinc/60/68/15/1312606815.db2.gz YEBDTPWBLIHXOP-QZTJIDSGSA-N 1 3 335.407 2.952 20 0 EFADHO COC(=O)[C@@H]1C[N@@H+](Cc2cc3cnccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232019368 1312606818 /nfs/dbraw/zinc/60/68/18/1312606818.db2.gz YEBDTPWBLIHXOP-QZTJIDSGSA-N 1 3 335.407 2.952 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231972 1312607048 /nfs/dbraw/zinc/60/70/48/1312607048.db2.gz QALWVAIFOVRHFC-TVFCKZIOSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231972 1312607052 /nfs/dbraw/zinc/60/70/52/1312607052.db2.gz QALWVAIFOVRHFC-TVFCKZIOSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001049234744 1312609709 /nfs/dbraw/zinc/60/97/09/1312609709.db2.gz HUMYEKHTJFBFAX-KDURUIRLSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001049234744 1312609711 /nfs/dbraw/zinc/60/97/11/1312609711.db2.gz HUMYEKHTJFBFAX-KDURUIRLSA-N 1 3 341.499 2.552 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235796 1312610689 /nfs/dbraw/zinc/61/06/89/1312610689.db2.gz WJPDVNRCZVJNSC-KDURUIRLSA-N 1 3 341.499 2.718 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235796 1312610694 /nfs/dbraw/zinc/61/06/94/1312610694.db2.gz WJPDVNRCZVJNSC-KDURUIRLSA-N 1 3 341.499 2.718 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC=C(Cl)Cl)CC2)CCC1 ZINC001165464392 1312633474 /nfs/dbraw/zinc/63/34/74/1312633474.db2.gz CWIAXPOSONFYLB-UHFFFAOYSA-N 1 3 348.318 2.666 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001165464611 1312633923 /nfs/dbraw/zinc/63/39/23/1312633923.db2.gz IDKBJOKALZOQHU-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]Cc3ccc(F)cc3)CC2)CCC1 ZINC001165465156 1312633995 /nfs/dbraw/zinc/63/39/95/1312633995.db2.gz VCYACNQQOUKSSZ-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1nnc([C@@H]2CCCN(Cc3cc(F)cc(C[NH+](C)C)c3)C2)o1 ZINC001232148973 1312634113 /nfs/dbraw/zinc/63/41/13/1312634113.db2.gz HIAJOJITSSOOQG-MRXNPFEDSA-N 1 3 332.423 2.958 20 0 EFADHO CCN1CC[C@@]2(CCC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147514 1312634577 /nfs/dbraw/zinc/63/45/77/1312634577.db2.gz AZNRCIKFTYDYPV-HXUWFJFHSA-N 1 3 347.478 2.722 20 0 EFADHO CCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147514 1312634580 /nfs/dbraw/zinc/63/45/80/1312634580.db2.gz AZNRCIKFTYDYPV-HXUWFJFHSA-N 1 3 347.478 2.722 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001165484378 1312636170 /nfs/dbraw/zinc/63/61/70/1312636170.db2.gz CUHXFOARFBYGRI-LJQANCHMSA-N 1 3 343.515 2.711 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC001165485061 1312636311 /nfs/dbraw/zinc/63/63/11/1312636311.db2.gz KUTJFZRIYNCELW-GOSISDBHSA-N 1 3 333.520 2.703 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)C1CC1 ZINC001165485503 1312636708 /nfs/dbraw/zinc/63/67/08/1312636708.db2.gz YBPZNSAHYDQGGY-GOSISDBHSA-N 1 3 335.536 2.783 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001165485092 1312637009 /nfs/dbraw/zinc/63/70/09/1312637009.db2.gz LNCXYXVKTHRVJM-SFHVURJKSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN(C)C3CCC3)CC2)c1 ZINC001165501619 1312639345 /nfs/dbraw/zinc/63/93/45/1312639345.db2.gz NONWUIVLGYMLKW-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cncc(C3CC3)c1)CC2 ZINC001277626990 1312645518 /nfs/dbraw/zinc/64/55/18/1312645518.db2.gz KGLYULLJLFCFLS-UHFFFAOYSA-N 1 3 342.531 2.809 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cncc(C3CC3)c1)CC2 ZINC001277626990 1312645522 /nfs/dbraw/zinc/64/55/22/1312645522.db2.gz KGLYULLJLFCFLS-UHFFFAOYSA-N 1 3 342.531 2.809 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccnc2c(F)cccc12 ZINC001232209692 1312649743 /nfs/dbraw/zinc/64/97/43/1312649743.db2.gz PALWIUPQLYHFML-UHFFFAOYSA-N 1 3 347.434 2.691 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccnc2c(F)cccc12 ZINC001232209692 1312649747 /nfs/dbraw/zinc/64/97/47/1312649747.db2.gz PALWIUPQLYHFML-UHFFFAOYSA-N 1 3 347.434 2.691 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccnc(C(C)(C)C)c1 ZINC001232217639 1312651173 /nfs/dbraw/zinc/65/11/73/1312651173.db2.gz UOZODIINHDOXOX-ZWKOTPCHSA-N 1 3 330.520 2.589 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccnc(C(C)(C)C)c1 ZINC001232217639 1312651176 /nfs/dbraw/zinc/65/11/76/1312651176.db2.gz UOZODIINHDOXOX-ZWKOTPCHSA-N 1 3 330.520 2.589 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052860842 1314428587 /nfs/dbraw/zinc/42/85/87/1314428587.db2.gz XUEZIYUQOCJWGR-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052860842 1314428589 /nfs/dbraw/zinc/42/85/89/1314428589.db2.gz XUEZIYUQOCJWGR-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864243 1314431111 /nfs/dbraw/zinc/43/11/11/1314431111.db2.gz CYNKPHFYQWMWPC-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864243 1314431112 /nfs/dbraw/zinc/43/11/12/1314431112.db2.gz CYNKPHFYQWMWPC-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052899152 1314460939 /nfs/dbraw/zinc/46/09/39/1314460939.db2.gz NQMWDEVIHOBFRD-HNNXBMFYSA-N 1 3 346.500 2.536 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052899152 1314460943 /nfs/dbraw/zinc/46/09/43/1314460943.db2.gz NQMWDEVIHOBFRD-HNNXBMFYSA-N 1 3 346.500 2.536 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250521 1314463048 /nfs/dbraw/zinc/46/30/48/1314463048.db2.gz VDCALLCPNLTFAB-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211251103 1314464485 /nfs/dbraw/zinc/46/44/85/1314464485.db2.gz ZQMHYWGZVJMAAJ-AEFFLSMTSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001211267535 1314466280 /nfs/dbraw/zinc/46/62/80/1314466280.db2.gz BVYXLOVHMAJRBJ-ABMFHFBKSA-N 1 3 329.488 2.621 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275794 1314467752 /nfs/dbraw/zinc/46/77/52/1314467752.db2.gz CAJXDRDSAYGMJX-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211282575 1314469186 /nfs/dbraw/zinc/46/91/86/1314469186.db2.gz BUTJUHUWDIDBIC-QGZVFWFLSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001211284879 1314469549 /nfs/dbraw/zinc/46/95/49/1314469549.db2.gz OIQIWFCSUNLXJD-MJGOQNOKSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001211284878 1314469561 /nfs/dbraw/zinc/46/95/61/1314469561.db2.gz OIQIWFCSUNLXJD-IEBWSBKVSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001211284592 1314469629 /nfs/dbraw/zinc/46/96/29/1314469629.db2.gz NEBXRYDOLLVNCP-HOTGVXAUSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001211292398 1314470417 /nfs/dbraw/zinc/47/04/17/1314470417.db2.gz LNWCANWWMQIODK-CRAIPNDOSA-N 1 3 349.544 2.869 20 0 EFADHO C[NH+](C)CCCOc1ccc(-c2ccc3c(n2)OCCNC3)cc1 ZINC001245335532 1314473420 /nfs/dbraw/zinc/47/34/20/1314473420.db2.gz DLTORKCSEFBGJW-UHFFFAOYSA-N 1 3 327.428 2.561 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375002 1314487606 /nfs/dbraw/zinc/48/76/06/1314487606.db2.gz VMYAUVHSFNYAKQ-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933148 1314492720 /nfs/dbraw/zinc/49/27/20/1314492720.db2.gz WJPNIWDHDHGMBI-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933148 1314492724 /nfs/dbraw/zinc/49/27/24/1314492724.db2.gz WJPNIWDHDHGMBI-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001019810936 1314513150 /nfs/dbraw/zinc/51/31/50/1314513150.db2.gz RPOUUMZUEJLZQO-KVWWFHCMSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001019820474 1314516438 /nfs/dbraw/zinc/51/64/38/1314516438.db2.gz LMOOEXAEPZDIQU-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052956681 1314517174 /nfs/dbraw/zinc/51/71/74/1314517174.db2.gz XDUMTJYPHSSLDZ-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052956681 1314517175 /nfs/dbraw/zinc/51/71/75/1314517175.db2.gz XDUMTJYPHSSLDZ-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052983654 1314542018 /nfs/dbraw/zinc/54/20/18/1314542018.db2.gz AXNKRIUFHRBFJC-KDURUIRLSA-N 1 3 333.520 2.726 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052983654 1314542024 /nfs/dbraw/zinc/54/20/24/1314542024.db2.gz AXNKRIUFHRBFJC-KDURUIRLSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986944 1314543935 /nfs/dbraw/zinc/54/39/35/1314543935.db2.gz XWIOTBCWWXLMBP-GEALJGNFSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986944 1314543937 /nfs/dbraw/zinc/54/39/37/1314543937.db2.gz XWIOTBCWWXLMBP-GEALJGNFSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H]1C[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052991181 1314547285 /nfs/dbraw/zinc/54/72/85/1314547285.db2.gz XFNKVYNTRIEBPT-QOJCHSLYSA-N 1 3 345.531 2.582 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNc1ccncc1Oc1ccccc1 ZINC001245953377 1314554764 /nfs/dbraw/zinc/55/47/64/1314554764.db2.gz FOYDZPBKDWILAR-AZUAARDMSA-N 1 3 349.434 2.639 20 0 EFADHO C[C@@H]1CC[C@H](CNC[C@@H](O)COc2cccc3ccccc32)C[NH2+]1 ZINC001245970224 1314557067 /nfs/dbraw/zinc/55/70/67/1314557067.db2.gz BJXUYXCFJYHNOH-JFIYKMOQSA-N 1 3 328.456 2.557 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980554 1314558284 /nfs/dbraw/zinc/55/82/84/1314558284.db2.gz BUTIQWDEHJLFHT-BRIYLRKRSA-N 1 3 326.525 2.558 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1CNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245981461 1314559325 /nfs/dbraw/zinc/55/93/25/1314559325.db2.gz HAWSQNOHSYMYIS-SOLBZPMBSA-N 1 3 334.504 2.559 20 0 EFADHO Cc1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cc1C ZINC001245989378 1314560981 /nfs/dbraw/zinc/56/09/81/1314560981.db2.gz VBKSGOTUDUIRCT-VQTJNVASSA-N 1 3 348.437 2.645 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCCNC1)COCc1c(Cl)cccc1Cl ZINC001245996285 1314562273 /nfs/dbraw/zinc/56/22/73/1314562273.db2.gz UYSRHWNKJQWXQI-CHWSQXEVSA-N 1 3 347.286 2.603 20 0 EFADHO O[C@]1(CNCC2(Cc3ccccc3C(F)(F)F)CCC2)CC[NH2+]C1 ZINC001245998745 1314562661 /nfs/dbraw/zinc/56/26/61/1314562661.db2.gz HYUJKFTXPHDIRA-QGZVFWFLSA-N 1 3 342.405 2.732 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(=[NH2+])C1CCCCCC1 ZINC001245999371 1314563042 /nfs/dbraw/zinc/56/30/42/1314563042.db2.gz FFCOBQFIRVPJSQ-DLBZAZTESA-N 1 3 339.430 2.733 20 0 EFADHO O[C@@]1(CNCC2(Cc3ccc(C(F)(F)F)cc3)CCC2)CC[NH2+]C1 ZINC001245999503 1314563359 /nfs/dbraw/zinc/56/33/59/1314563359.db2.gz KLGCECYPWZNVEH-KRWDZBQOSA-N 1 3 342.405 2.732 20 0 EFADHO O[C@]1(C[NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)CCCNC1 ZINC001246002402 1314564201 /nfs/dbraw/zinc/56/42/01/1314564201.db2.gz BIWQEGJEFHHBJZ-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@]1(CNC2(Cc3ccccc3C(F)(F)F)CCC2)CCC[NH2+]C1 ZINC001246002402 1314564206 /nfs/dbraw/zinc/56/42/06/1314564206.db2.gz BIWQEGJEFHHBJZ-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO CC(C)(C[NH2+]C[C@]1(O)CCCNC1)Cc1ccccc1C(F)(F)F ZINC001246003213 1314564371 /nfs/dbraw/zinc/56/43/71/1314564371.db2.gz DIQZSZQMBCSTGW-KRWDZBQOSA-N 1 3 344.421 2.978 20 0 EFADHO C[C@]1([NH3+])CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001246025417 1314568929 /nfs/dbraw/zinc/56/89/29/1314568929.db2.gz YEJHDZTXALFSNO-XLIONFOSSA-N 1 3 328.456 2.783 20 0 EFADHO C[N@H+](CCc1ccccc1Cl)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246042507 1314572047 /nfs/dbraw/zinc/57/20/47/1314572047.db2.gz CHHUGQGRTLCRLK-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO C[N@@H+](CCc1ccccc1Cl)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246042507 1314572051 /nfs/dbraw/zinc/57/20/51/1314572051.db2.gz CHHUGQGRTLCRLK-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO c1ccc(C[C@@H]2C[C@H]([NH2+]CCc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246075569 1314580046 /nfs/dbraw/zinc/58/00/46/1314580046.db2.gz JYCJXCRHQGJHPA-RTBURBONSA-N 1 3 338.451 2.911 20 0 EFADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246083943 1314580834 /nfs/dbraw/zinc/58/08/34/1314580834.db2.gz QOIJWNBHLJIZRW-UKPHBRMFSA-N 1 3 344.496 2.722 20 0 EFADHO O[C@@]1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246094187 1314581796 /nfs/dbraw/zinc/58/17/96/1314581796.db2.gz DIZQRPJFSRLWQV-PBHICJAKSA-N 1 3 343.298 2.945 20 0 EFADHO O[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCCNC1 ZINC001246094187 1314581800 /nfs/dbraw/zinc/58/18/00/1314581800.db2.gz DIZQRPJFSRLWQV-PBHICJAKSA-N 1 3 343.298 2.945 20 0 EFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246100174 1314582558 /nfs/dbraw/zinc/58/25/58/1314582558.db2.gz VXPGIDMZTMPLOS-XJKSGUPXSA-N 1 3 346.393 2.610 20 0 EFADHO COc1ccc(Br)c(CCN[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246108633 1314583206 /nfs/dbraw/zinc/58/32/06/1314583206.db2.gz KLKCTFUNDHBRFB-WCQYABFASA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)c(CC[NH2+][C@@H]2CCN[C@@H](C)C2)c1 ZINC001246108633 1314583210 /nfs/dbraw/zinc/58/32/10/1314583210.db2.gz KLKCTFUNDHBRFB-WCQYABFASA-N 1 3 327.266 2.730 20 0 EFADHO CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CNCC34CC4)CC2)cc1 ZINC001246132890 1314587429 /nfs/dbraw/zinc/58/74/29/1314587429.db2.gz NDOMUOACQKYJOD-KVWWFHCMSA-N 1 3 328.456 2.980 20 0 EFADHO C1CC12CNC[C@H]2[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246136853 1314588068 /nfs/dbraw/zinc/58/80/68/1314588068.db2.gz YFUQNWWNXAZOLC-VMWRSERWSA-N 1 3 334.504 2.820 20 0 EFADHO Clc1cc2c(cc1Cl)C[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145920 1314589367 /nfs/dbraw/zinc/58/93/67/1314589367.db2.gz GEYJTZYKDOWVON-QDEZUTFSSA-N 1 3 341.282 2.675 20 0 EFADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H](C)Cc1ccc(F)cc1Cl ZINC001246198750 1314596094 /nfs/dbraw/zinc/59/60/94/1314596094.db2.gz FMTSGYMOCVJZMT-XFJVYGCCSA-N 1 3 342.842 2.541 20 0 EFADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246198749 1314596607 /nfs/dbraw/zinc/59/66/07/1314596607.db2.gz FMTSGYMOCVJZMT-SGIREYDYSA-N 1 3 342.842 2.541 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1(C)C ZINC001246216487 1314598543 /nfs/dbraw/zinc/59/85/43/1314598543.db2.gz KXQAJMKEQQHFIJ-XSLAGTTESA-N 1 3 330.472 2.527 20 0 EFADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C1(C)C ZINC001246216487 1314598547 /nfs/dbraw/zinc/59/85/47/1314598547.db2.gz KXQAJMKEQQHFIJ-XSLAGTTESA-N 1 3 330.472 2.527 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246218106 1314598910 /nfs/dbraw/zinc/59/89/10/1314598910.db2.gz LQUYNJHQAPODEI-APHBMKBZSA-N 1 3 329.271 2.817 20 0 EFADHO COc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246271443 1314605394 /nfs/dbraw/zinc/60/53/94/1314605394.db2.gz RSGJNZWOUZTABP-SJPCQFCGSA-N 1 3 330.472 2.616 20 0 EFADHO CC1(C)C[C@H]([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C(C)(C)N1O ZINC001246285297 1314606072 /nfs/dbraw/zinc/60/60/72/1314606072.db2.gz HTOMOPNWOCVWTP-KSZLIROESA-N 1 3 331.504 2.960 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2CCc3c(C)cccc3C2)CC[NH2+]CC1 ZINC001246328229 1314610820 /nfs/dbraw/zinc/61/08/20/1314610820.db2.gz WCGNKDKGMKHBIJ-QGZVFWFLSA-N 1 3 330.472 2.517 20 0 EFADHO Fc1ccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246334809 1314611826 /nfs/dbraw/zinc/61/18/26/1314611826.db2.gz FCHYNTSXQWFLRQ-GJZGRUSLSA-N 1 3 345.384 2.677 20 0 EFADHO [NH3+][C@@]12CC[C@@](N[C@@H]3CCN(Cc4ccccc4)C(=O)C3)(C1)CCC2 ZINC001246341054 1314613601 /nfs/dbraw/zinc/61/36/01/1314613601.db2.gz NUMVKWBEABEOPZ-YZGWKJHDSA-N 1 3 327.472 2.571 20 0 EFADHO Fc1cc(Cl)ccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246354939 1314613931 /nfs/dbraw/zinc/61/39/31/1314613931.db2.gz JCMXIOAJSDKOHE-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC001246354960 1314614292 /nfs/dbraw/zinc/61/42/92/1314614292.db2.gz JTKJWSVIWFCHTP-HNNXBMFYSA-N 1 3 325.859 2.785 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356953 1314614632 /nfs/dbraw/zinc/61/46/32/1314614632.db2.gz XMQAFSDMJSGMSA-IUODEOHRSA-N 1 3 341.421 2.798 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@@H](C)NC2)CC1 ZINC001246359077 1314615037 /nfs/dbraw/zinc/61/50/37/1314615037.db2.gz KYERCPIJHIQDPN-RDTXWAMCSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC(N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246359077 1314615040 /nfs/dbraw/zinc/61/50/40/1314615040.db2.gz KYERCPIJHIQDPN-RDTXWAMCSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246361816 1314615740 /nfs/dbraw/zinc/61/57/40/1314615740.db2.gz YJZUUJWEPXIIAX-RDTXWAMCSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038442 1314617546 /nfs/dbraw/zinc/61/75/46/1314617546.db2.gz IBSIJESJOYQKHX-IAGOWNOFSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038442 1314617550 /nfs/dbraw/zinc/61/75/50/1314617550.db2.gz IBSIJESJOYQKHX-IAGOWNOFSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)CCN1 ZINC001246385261 1314620073 /nfs/dbraw/zinc/62/00/73/1314620073.db2.gz DFKITFMSPAVIIX-LLLHUVSDSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)CCN1 ZINC001246385263 1314620457 /nfs/dbraw/zinc/62/04/57/1314620457.db2.gz DFKITFMSPAVIIX-MWQQHZPXSA-N 1 3 345.462 2.823 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001053040916 1314620564 /nfs/dbraw/zinc/62/05/64/1314620564.db2.gz WYZQTXRLNXYGQN-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001053040916 1314620567 /nfs/dbraw/zinc/62/05/67/1314620567.db2.gz WYZQTXRLNXYGQN-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO Nc1ccc(F)cc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276706428 1314622584 /nfs/dbraw/zinc/62/25/84/1314622584.db2.gz VDILIIIAGWQWGB-UHFFFAOYSA-N 1 3 343.450 2.619 20 0 EFADHO Nc1ccc(F)cc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276706428 1314622585 /nfs/dbraw/zinc/62/25/85/1314622585.db2.gz VDILIIIAGWQWGB-UHFFFAOYSA-N 1 3 343.450 2.619 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246399145 1314623538 /nfs/dbraw/zinc/62/35/38/1314623538.db2.gz JFQSBVIDVFTVKJ-YJBOKZPZSA-N 1 3 349.450 2.687 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246404900 1314624475 /nfs/dbraw/zinc/62/44/75/1314624475.db2.gz ITJGPPDNYFVBHR-IXDOHACOSA-N 1 3 341.503 2.755 20 0 EFADHO COc1ccccc1CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCOCC1 ZINC001246414153 1314626607 /nfs/dbraw/zinc/62/66/07/1314626607.db2.gz ZLZFVDVNXFCCGK-JWTNVVGKSA-N 1 3 330.472 2.660 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4ccccc4C3=O)CC2)CCN1 ZINC001246436238 1314629380 /nfs/dbraw/zinc/62/93/80/1314629380.db2.gz HXASYPGWRSKIPH-NRSFXHEJSA-N 1 3 327.472 2.684 20 0 EFADHO CC[C@@H]1C[C@H](N[C@H](CN2CCOCC2)C(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246486493 1314635935 /nfs/dbraw/zinc/63/59/35/1314635935.db2.gz BXPCIMAGHDUJDR-VSZNYVQBSA-N 1 3 325.541 2.632 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)c1 ZINC001020151036 1314637275 /nfs/dbraw/zinc/63/72/75/1314637275.db2.gz ISPUDTWSLCEWKG-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CCCCOC(=O)CC[C@@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495552 1314637584 /nfs/dbraw/zinc/63/75/84/1314637584.db2.gz QCLZEANCJDZEFN-OAHLLOKOSA-N 1 3 335.492 2.540 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1)N1CCCCC1 ZINC001020154890 1314638771 /nfs/dbraw/zinc/63/87/71/1314638771.db2.gz PSTBGQLNBRSMIN-SHTZXODSSA-N 1 3 343.462 2.533 20 0 EFADHO COc1cccc([C@H](C[NH3+])N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC001246513439 1314640503 /nfs/dbraw/zinc/64/05/03/1314640503.db2.gz WUSOQUIIVHWWSS-SCWSEQNSSA-N 1 3 339.483 2.948 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1)N1CCCCC1 ZINC001020156525 1314640535 /nfs/dbraw/zinc/64/05/35/1314640535.db2.gz PJBOLRDLPZMJQS-RHQZKXFESA-N 1 3 347.547 2.924 20 0 EFADHO C[NH2+]CC[C@H](C)NC[C@H]1COc2ccc(Br)cc2C1 ZINC001246513979 1314640601 /nfs/dbraw/zinc/64/06/01/1314640601.db2.gz ZDZSRXRFASKGMU-RYUDHWBXSA-N 1 3 327.266 2.588 20 0 EFADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@@H](C1CC1)C1CNC1)CC2 ZINC001246520460 1314641524 /nfs/dbraw/zinc/64/15/24/1314641524.db2.gz WHSCOBNQVYSUQN-SJORKVTESA-N 1 3 335.289 2.894 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554935 1314646395 /nfs/dbraw/zinc/64/63/95/1314646395.db2.gz ADOKTEQXWQWGTF-CZUORRHYSA-N 1 3 328.909 2.996 20 0 EFADHO COc1cc(C[C@H](C)N2CCC[C@@](C)([NH3+])CC2)cc(OC)c1OC ZINC001246552391 1314646616 /nfs/dbraw/zinc/64/66/16/1314646616.db2.gz OEPYOCAYBVLCGN-IFXJQAMLSA-N 1 3 336.476 2.847 20 0 EFADHO CC1(C[NH3+])CN([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246588843 1314651916 /nfs/dbraw/zinc/65/19/16/1314651916.db2.gz LKFFMOFXVGAGGC-FHWLQOOXSA-N 1 3 341.499 2.598 20 0 EFADHO N[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@H]1F ZINC001246583620 1314652023 /nfs/dbraw/zinc/65/20/23/1314652023.db2.gz HXYXHSQTEYDYQO-LJDSDSDDSA-N 1 3 331.479 2.943 20 0 EFADHO N[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@H]1F ZINC001246583620 1314652026 /nfs/dbraw/zinc/65/20/26/1314652026.db2.gz HXYXHSQTEYDYQO-LJDSDSDDSA-N 1 3 331.479 2.943 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](C)N([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246592770 1314653616 /nfs/dbraw/zinc/65/36/16/1314653616.db2.gz QPBNWGLEUQGDPP-OWYHZJEWSA-N 1 3 330.472 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CC2(CN1[C@@H](C)Cc1ccc(C)cc1)CC[NH2+]CC2 ZINC001246604598 1314655769 /nfs/dbraw/zinc/65/57/69/1314655769.db2.gz ROZPKXXKTWUALR-HKUYNNGSSA-N 1 3 344.499 2.933 20 0 EFADHO CCC[C@H](CCc1ccccc1)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246651529 1314664386 /nfs/dbraw/zinc/66/43/86/1314664386.db2.gz MFSRLFKLVARAPY-CTNGQTDRSA-N 1 3 343.515 2.732 20 0 EFADHO CCCCCC[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246671302 1314668597 /nfs/dbraw/zinc/66/85/97/1314668597.db2.gz ZDLLKHKJKPSORL-QGZVFWFLSA-N 1 3 336.524 2.819 20 0 EFADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001246677737 1314669129 /nfs/dbraw/zinc/66/91/29/1314669129.db2.gz NCZSIBBZIBWBLS-MANSERQUSA-N 1 3 330.472 2.999 20 0 EFADHO Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001246682496 1314669926 /nfs/dbraw/zinc/66/99/26/1314669926.db2.gz DFYLMDCAVNGSPU-IMBTUZDBSA-N 1 3 332.513 2.928 20 0 EFADHO Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001246682496 1314669929 /nfs/dbraw/zinc/66/99/29/1314669929.db2.gz DFYLMDCAVNGSPU-IMBTUZDBSA-N 1 3 332.513 2.928 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699719 1314672438 /nfs/dbraw/zinc/67/24/38/1314672438.db2.gz YLIWJBKGALWARS-AFYVEPGGSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699719 1314672444 /nfs/dbraw/zinc/67/24/44/1314672444.db2.gz YLIWJBKGALWARS-AFYVEPGGSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CCN1 ZINC001246715860 1314674264 /nfs/dbraw/zinc/67/42/64/1314674264.db2.gz DERXOJHHAVFCCK-MJGOQNOKSA-N 1 3 341.499 2.755 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CC[NH2+]1 ZINC001246715860 1314674269 /nfs/dbraw/zinc/67/42/69/1314674269.db2.gz DERXOJHHAVFCCK-MJGOQNOKSA-N 1 3 341.499 2.755 20 0 EFADHO CC[C@H]1[N@@H+]([C@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720552 1314675718 /nfs/dbraw/zinc/67/57/18/1314675718.db2.gz IOVXLPGYJJONKC-QEEHTWDDSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H]1[N@H+]([C@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720552 1314675722 /nfs/dbraw/zinc/67/57/22/1314675722.db2.gz IOVXLPGYJJONKC-QEEHTWDDSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733839 1314676964 /nfs/dbraw/zinc/67/69/64/1314676964.db2.gz HCAIRPZBSZRAFT-LMCOJAPRSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733839 1314676966 /nfs/dbraw/zinc/67/69/66/1314676966.db2.gz HCAIRPZBSZRAFT-LMCOJAPRSA-N 1 3 329.488 2.841 20 0 EFADHO CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757776 1314677346 /nfs/dbraw/zinc/67/73/46/1314677346.db2.gz MTJOEMPTCNKCST-DFGXFYAUSA-N 1 3 347.528 2.954 20 0 EFADHO CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757776 1314677349 /nfs/dbraw/zinc/67/73/49/1314677349.db2.gz MTJOEMPTCNKCST-DFGXFYAUSA-N 1 3 347.528 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C4C[C@H](C)[NH2+][C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776043 1314680065 /nfs/dbraw/zinc/68/00/65/1314680065.db2.gz GRYDHBIRDQXXLE-XGHQBKJUSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+](C4C[C@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776043 1314680067 /nfs/dbraw/zinc/68/00/67/1314680067.db2.gz GRYDHBIRDQXXLE-XGHQBKJUSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+](C4C[C@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776043 1314680070 /nfs/dbraw/zinc/68/00/70/1314680070.db2.gz GRYDHBIRDQXXLE-XGHQBKJUSA-N 1 3 341.499 2.953 20 0 EFADHO CC[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CC[NH2+]1 ZINC001246782638 1314681340 /nfs/dbraw/zinc/68/13/40/1314681340.db2.gz VAGSYLVAHODBBK-SLYNCCJLSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782638 1314681343 /nfs/dbraw/zinc/68/13/43/1314681343.db2.gz VAGSYLVAHODBBK-SLYNCCJLSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782638 1314681344 /nfs/dbraw/zinc/68/13/44/1314681344.db2.gz VAGSYLVAHODBBK-SLYNCCJLSA-N 1 3 341.499 2.954 20 0 EFADHO C[C@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806867 1314686307 /nfs/dbraw/zinc/68/63/07/1314686307.db2.gz OMUDFCNGPFNTCW-MAZHCROVSA-N 1 3 338.293 2.536 20 0 EFADHO C[C@@H]1CC[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246805935 1314685971 /nfs/dbraw/zinc/68/59/71/1314685971.db2.gz LPWXZMLTKNALPI-KCXAZCMYSA-N 1 3 338.293 2.536 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246811070 1314688205 /nfs/dbraw/zinc/68/82/05/1314688205.db2.gz RDRQBQXVWAIETP-GUDVDZBRSA-N 1 3 330.472 2.625 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246811070 1314688209 /nfs/dbraw/zinc/68/82/09/1314688209.db2.gz RDRQBQXVWAIETP-GUDVDZBRSA-N 1 3 330.472 2.625 20 0 EFADHO C[C@H](Cc1c(F)cccc1Cl)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887932 1314703411 /nfs/dbraw/zinc/70/34/11/1314703411.db2.gz QWAFAEVKPUBKFL-CQSZACIVSA-N 1 3 339.886 2.780 20 0 EFADHO Fc1cccc(F)c1CN1CCN(C2CCC3(C[NH2+]C3)CC2)CC1 ZINC001246889902 1314703778 /nfs/dbraw/zinc/70/37/78/1314703778.db2.gz GTNGUYXFLNLRBR-UHFFFAOYSA-N 1 3 335.442 2.615 20 0 EFADHO COC(=O)c1cccc2c1CN([C@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246902968 1314706829 /nfs/dbraw/zinc/70/68/29/1314706829.db2.gz WKKXVUVOUMMQEN-INIZCTEOSA-N 1 3 328.456 2.754 20 0 EFADHO [NH3+]C[C@H]1CCCN1C1CCN(c2ccc(Br)cc2)CC1 ZINC001246919272 1314708543 /nfs/dbraw/zinc/70/85/43/1314708543.db2.gz ZQROTCADKCSQLN-MRXNPFEDSA-N 1 3 338.293 2.841 20 0 EFADHO COCC[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)[C@H]1CCCNC1 ZINC001246928250 1314709250 /nfs/dbraw/zinc/70/92/50/1314709250.db2.gz JSUQCSWSTGRYNX-JCYILVPMSA-N 1 3 340.508 2.587 20 0 EFADHO COCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)[C@H]1CCCNC1 ZINC001246928250 1314709253 /nfs/dbraw/zinc/70/92/53/1314709253.db2.gz JSUQCSWSTGRYNX-JCYILVPMSA-N 1 3 340.508 2.587 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020288750 1314711239 /nfs/dbraw/zinc/71/12/39/1314711239.db2.gz IOJVPAWYNBPIRE-YWTNHNAXSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020288750 1314711245 /nfs/dbraw/zinc/71/12/45/1314711245.db2.gz IOJVPAWYNBPIRE-YWTNHNAXSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001020288747 1314711404 /nfs/dbraw/zinc/71/14/04/1314711404.db2.gz IOJVPAWYNBPIRE-DWRORGKVSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001020288747 1314711409 /nfs/dbraw/zinc/71/14/09/1314711409.db2.gz IOJVPAWYNBPIRE-DWRORGKVSA-N 1 3 345.462 2.579 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246989695 1314725927 /nfs/dbraw/zinc/72/59/27/1314725927.db2.gz LKKIACPGYWWPMU-SJORKVTESA-N 1 3 341.421 2.877 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246989695 1314725930 /nfs/dbraw/zinc/72/59/30/1314725930.db2.gz LKKIACPGYWWPMU-SJORKVTESA-N 1 3 341.421 2.877 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013239 1314730704 /nfs/dbraw/zinc/73/07/04/1314730704.db2.gz GISKDBFUHZKGBS-AABGKKOBSA-N 1 3 341.499 2.755 20 0 EFADHO COc1ccc([C@@H]2C[C@H](N3CC[C@@H]4[NH2+]CCC[C@@H]4C3)CCO2)cc1 ZINC001247012160 1314730907 /nfs/dbraw/zinc/73/09/07/1314730907.db2.gz CGHMPUJZTFDOMK-JYBIWHBTSA-N 1 3 330.472 2.989 20 0 EFADHO c1ccc2c(c1)nc(-c1nc3c(s1)CNCC3)n2C1CC[NH2+]CC1 ZINC001247022585 1314733127 /nfs/dbraw/zinc/73/31/27/1314733127.db2.gz UPRKFHUHPNJWMB-UHFFFAOYSA-N 1 3 339.468 2.730 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001214998372 1314767477 /nfs/dbraw/zinc/76/74/77/1314767477.db2.gz VWTTULGIYVPZOY-AYOQOUSVSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001215001876 1314767594 /nfs/dbraw/zinc/76/75/94/1314767594.db2.gz SQTLPWOASOUEPD-CRAIPNDOSA-N 1 3 349.494 2.823 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001215002028 1314768068 /nfs/dbraw/zinc/76/80/68/1314768068.db2.gz WPCHGXOMVVULKZ-CRAIPNDOSA-N 1 3 349.494 2.801 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215539855 1314847692 /nfs/dbraw/zinc/84/76/92/1314847692.db2.gz APTVIYFRRAAOBC-YQVWRLOYSA-N 1 3 335.536 2.735 20 0 EFADHO c1ccc(Oc2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cc1 ZINC001247856059 1314853643 /nfs/dbraw/zinc/85/36/43/1314853643.db2.gz KUNIUSYPUDOBPX-UHFFFAOYSA-N 1 3 348.406 2.589 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@@]4(CO3)CCC[NH2+]C4)n2)cc1 ZINC001247922695 1314868296 /nfs/dbraw/zinc/86/82/96/1314868296.db2.gz UCVVIRBPUPHURZ-APWZRJJASA-N 1 3 342.443 2.629 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001215973005 1314896178 /nfs/dbraw/zinc/89/61/78/1314896178.db2.gz KKFJNBVEVYFYPH-RCCFBDPRSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001215973040 1314896359 /nfs/dbraw/zinc/89/63/59/1314896359.db2.gz MZMIGYDIFMFBBM-BRWVUGGUSA-N 1 3 329.504 2.683 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001215973004 1314896697 /nfs/dbraw/zinc/89/66/97/1314896697.db2.gz KKFJNBVEVYFYPH-KZNAEPCWSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001215990035 1314898618 /nfs/dbraw/zinc/89/86/18/1314898618.db2.gz RFNZIYZNVYWNFD-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001215999251 1314899071 /nfs/dbraw/zinc/89/90/71/1314899071.db2.gz WXDZAKZYUJOOJA-BZUAXINKSA-N 1 3 345.478 2.590 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001216001656 1314899356 /nfs/dbraw/zinc/89/93/56/1314899356.db2.gz HOBWXBKRMZAWDY-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001216001631 1314899691 /nfs/dbraw/zinc/89/96/91/1314899691.db2.gz GPGALIAHCDKTPR-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)c1ccc(CCN2CC3(C2)CC[N@H+](CCN(C)C)C3)cc1 ZINC001276734525 1314906762 /nfs/dbraw/zinc/90/67/62/1314906762.db2.gz YNSUEJAMRBSFHY-UHFFFAOYSA-N 1 3 329.532 2.922 20 0 EFADHO CC(C)c1ccc(CCN2CC3(C2)CC[N@@H+](CCN(C)C)C3)cc1 ZINC001276734525 1314906769 /nfs/dbraw/zinc/90/67/69/1314906769.db2.gz YNSUEJAMRBSFHY-UHFFFAOYSA-N 1 3 329.532 2.922 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001216216844 1314928451 /nfs/dbraw/zinc/92/84/51/1314928451.db2.gz CQFKIWMSKFWHPD-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001216216844 1314928455 /nfs/dbraw/zinc/92/84/55/1314928455.db2.gz CQFKIWMSKFWHPD-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO Cc1ccc(CN2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c(C)c1 ZINC001038461286 1314946248 /nfs/dbraw/zinc/94/62/48/1314946248.db2.gz DQCBXTIPOYXNSX-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn3cncc3c2)c(C)c1 ZINC001038461286 1314946253 /nfs/dbraw/zinc/94/62/53/1314946253.db2.gz DQCBXTIPOYXNSX-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ccn3cncc3c2)c(C)c1 ZINC001038461286 1314946257 /nfs/dbraw/zinc/94/62/57/1314946257.db2.gz DQCBXTIPOYXNSX-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001038463426 1314947802 /nfs/dbraw/zinc/94/78/02/1314947802.db2.gz QZIPLJLEJBQILO-SFHVURJKSA-N 1 3 333.520 2.776 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001216502686 1314962963 /nfs/dbraw/zinc/96/29/63/1314962963.db2.gz HVDXUZNTPNTBSB-ZIFCJYIRSA-N 1 3 331.504 2.834 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001216499849 1314963335 /nfs/dbraw/zinc/96/33/35/1314963335.db2.gz UBFNCQVGUDIKOO-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001216506716 1314964211 /nfs/dbraw/zinc/96/42/11/1314964211.db2.gz NPPRYWNEOHTSST-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001216506716 1314964213 /nfs/dbraw/zinc/96/42/13/1314964213.db2.gz NPPRYWNEOHTSST-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001216515976 1314964546 /nfs/dbraw/zinc/96/45/46/1314964546.db2.gz WIOLXMKDOYYCQJ-ZIFCJYIRSA-N 1 3 331.504 2.834 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCCCCF ZINC001216829300 1315012889 /nfs/dbraw/zinc/01/28/89/1315012889.db2.gz VDYVPJCQFJNGDF-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccccc1F ZINC001216828764 1315013400 /nfs/dbraw/zinc/01/34/00/1315013400.db2.gz MCZIYTRXKGMMIV-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001216852380 1315015545 /nfs/dbraw/zinc/01/55/45/1315015545.db2.gz XBJBHTIXPOIPHT-NSISKUIASA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001216851787 1315015775 /nfs/dbraw/zinc/01/57/75/1315015775.db2.gz IJLMTOPGVMBDDM-MDASCCDHSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216852432 1315015833 /nfs/dbraw/zinc/01/58/33/1315015833.db2.gz ZMGCGBPEVQLLAM-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216852000 1315016180 /nfs/dbraw/zinc/01/61/80/1315016180.db2.gz MVBNCHOHTZAAHH-ZHALLVOQSA-N 1 3 331.504 2.833 20 0 EFADHO CO[C@H]([C@@H](C)c1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC001249132284 1315023804 /nfs/dbraw/zinc/02/38/04/1315023804.db2.gz CVLDVRSUYCGSDA-XOKHGSTOSA-N 1 3 344.459 2.669 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625483 1315049650 /nfs/dbraw/zinc/04/96/50/1315049650.db2.gz VTVILAKZJYXMPN-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625483 1315049656 /nfs/dbraw/zinc/04/96/56/1315049656.db2.gz VTVILAKZJYXMPN-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038627281 1315049786 /nfs/dbraw/zinc/04/97/86/1315049786.db2.gz YQCWYHDVUCRLRA-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038627281 1315049789 /nfs/dbraw/zinc/04/97/89/1315049789.db2.gz YQCWYHDVUCRLRA-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038627276 1315050109 /nfs/dbraw/zinc/05/01/09/1315050109.db2.gz YQCWYHDVUCRLRA-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038627276 1315050115 /nfs/dbraw/zinc/05/01/15/1315050115.db2.gz YQCWYHDVUCRLRA-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625476 1315050779 /nfs/dbraw/zinc/05/07/79/1315050779.db2.gz VTVILAKZJYXMPN-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625476 1315050783 /nfs/dbraw/zinc/05/07/83/1315050783.db2.gz VTVILAKZJYXMPN-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038627279 1315050860 /nfs/dbraw/zinc/05/08/60/1315050860.db2.gz YQCWYHDVUCRLRA-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038627279 1315050862 /nfs/dbraw/zinc/05/08/62/1315050862.db2.gz YQCWYHDVUCRLRA-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc2c(CN3CC4(C3)CC[N@@H+](CCN(C)C)C4)c[nH]c2c1 ZINC001276753666 1315053283 /nfs/dbraw/zinc/05/32/83/1315053283.db2.gz KQJYPQRKDVLZSY-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO Cc1ccc2c(CN3CC4(C3)CC[N@H+](CCN(C)C)C4)c[nH]c2c1 ZINC001276753666 1315053286 /nfs/dbraw/zinc/05/32/86/1315053286.db2.gz KQJYPQRKDVLZSY-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO COc1ccc2nc(CN3CCC4(CC3)CC[NH+](C)CC4)[nH]c2c1 ZINC001249415419 1315069069 /nfs/dbraw/zinc/06/90/69/1315069069.db2.gz XVOKUUKXVUFFEV-UHFFFAOYSA-N 1 3 328.460 2.879 20 0 EFADHO Cc1ccc(C)c([C@H](C)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001038672530 1315084736 /nfs/dbraw/zinc/08/47/36/1315084736.db2.gz XRZNHEGDFNVKOP-PKOBYXMFSA-N 1 3 343.515 2.897 20 0 EFADHO c1cc(N2CCCC2)c(NC2=CC[C@H](N3CCOCC3)CC2)c[nH+]1 ZINC001249554950 1315096033 /nfs/dbraw/zinc/09/60/33/1315096033.db2.gz KVOONOUCLYKOJE-KRWDZBQOSA-N 1 3 328.460 2.862 20 0 EFADHO c1ccc(Oc2ccc(-c3nnc(C45CNCC4C[NH2+]C5)o3)cc2)cc1 ZINC001217706575 1315103886 /nfs/dbraw/zinc/10/38/86/1315103886.db2.gz LZNAFFHFOKHPSP-UHFFFAOYSA-N 1 3 348.406 2.589 20 0 EFADHO CC1(C)N[C@H](CO[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)CO1 ZINC001217886681 1315119190 /nfs/dbraw/zinc/11/91/90/1315119190.db2.gz VSTZGKWRPCUEMP-HCXYKTFWSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)CO1 ZINC001217886681 1315119192 /nfs/dbraw/zinc/11/91/92/1315119192.db2.gz VSTZGKWRPCUEMP-HCXYKTFWSA-N 1 3 330.472 2.638 20 0 EFADHO c1ccc(CN2CCOC[C@H](OCCC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC001217894557 1315120258 /nfs/dbraw/zinc/12/02/58/1315120258.db2.gz GPRSDRDYSAJXQC-UYAOXDASSA-N 1 3 332.488 2.684 20 0 EFADHO COc1cc(F)c(C)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001250117306 1315174766 /nfs/dbraw/zinc/17/47/66/1315174766.db2.gz MKHVKHKDOLXNOW-UHFFFAOYSA-N 1 3 349.494 2.602 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001276782971 1315185266 /nfs/dbraw/zinc/18/52/66/1315185266.db2.gz KRJCCAIJOALPSO-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1ccc(Cl)nc1)CC2 ZINC001276782971 1315185267 /nfs/dbraw/zinc/18/52/67/1315185267.db2.gz KRJCCAIJOALPSO-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042212 1315209140 /nfs/dbraw/zinc/20/91/40/1315209140.db2.gz RJWRASXDMJPSHN-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042212 1315209145 /nfs/dbraw/zinc/20/91/45/1315209145.db2.gz RJWRASXDMJPSHN-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001218524881 1315210130 /nfs/dbraw/zinc/21/01/30/1315210130.db2.gz PVFPOZNAKRORLR-AWEZNQCLSA-N 1 3 332.473 2.808 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1cnc3ccccc3c1)C2 ZINC001276788850 1315210807 /nfs/dbraw/zinc/21/08/07/1315210807.db2.gz ITCPOHWMBRBBQJ-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001054046194 1315217530 /nfs/dbraw/zinc/21/75/30/1315217530.db2.gz FJTYSLXOSJMTRC-LJQANCHMSA-N 1 3 334.423 2.511 20 0 EFADHO CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001054046194 1315217533 /nfs/dbraw/zinc/21/75/33/1315217533.db2.gz FJTYSLXOSJMTRC-LJQANCHMSA-N 1 3 334.423 2.511 20 0 EFADHO CCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046194 1315217537 /nfs/dbraw/zinc/21/75/37/1315217537.db2.gz FJTYSLXOSJMTRC-LJQANCHMSA-N 1 3 334.423 2.511 20 0 EFADHO CC[NH+]1CCC(c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)CC1 ZINC001250571061 1315225570 /nfs/dbraw/zinc/22/55/70/1315225570.db2.gz QTIIPSRLGNDUJV-UHFFFAOYSA-N 1 3 327.476 2.514 20 0 EFADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052506 1315229019 /nfs/dbraw/zinc/22/90/19/1315229019.db2.gz YSFHAPLRSQRQAL-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218710990 1315233912 /nfs/dbraw/zinc/23/39/12/1315233912.db2.gz JVJXUYNDEFSDBM-OAGGEKHMSA-N 1 3 340.427 2.779 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(-c2ccccc2)cc(Cl)n1 ZINC001218742299 1315238075 /nfs/dbraw/zinc/23/80/75/1315238075.db2.gz FPABPPGUZRMITB-AWEZNQCLSA-N 1 3 332.835 2.797 20 0 EFADHO COc1nc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2ccccc21 ZINC001218758411 1315239540 /nfs/dbraw/zinc/23/95/40/1315239540.db2.gz BFTINCBLJUYVIO-INIZCTEOSA-N 1 3 344.459 2.678 20 0 EFADHO CCCCCCc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218838310 1315248732 /nfs/dbraw/zinc/24/87/32/1315248732.db2.gz SFYZRRBDAKPXEN-YLJYHZDGSA-N 1 3 329.488 2.947 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CCCC2CCC2)CC1 ZINC001038869367 1315249363 /nfs/dbraw/zinc/24/93/63/1315249363.db2.gz FTGNLXINNXVTIV-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[C@H]([NH2+]C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC001218846528 1315249651 /nfs/dbraw/zinc/24/96/51/1315249651.db2.gz XUSQKDKUCVUBJG-IBGZPJMESA-N 1 3 346.519 2.541 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCC2CCCC2)CC1 ZINC001038872487 1315252029 /nfs/dbraw/zinc/25/20/29/1315252029.db2.gz PMTGWQUDLBFHPT-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccccc1Oc1ccc(NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218858454 1315252277 /nfs/dbraw/zinc/25/22/77/1315252277.db2.gz WEYBAJSIMLHJNC-INIZCTEOSA-N 1 3 343.427 2.882 20 0 EFADHO COc1cccc([C@H](N)CC(=O)Nc2ccc(C(C)(C)C[NH3+])cc2)c1 ZINC001218894925 1315256058 /nfs/dbraw/zinc/25/60/58/1315256058.db2.gz CNSQZGCFRJOADY-GOSISDBHSA-N 1 3 341.455 2.960 20 0 EFADHO O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218941603 1315262344 /nfs/dbraw/zinc/26/23/44/1315262344.db2.gz CPGIPYVHRRDFLV-OAHLLOKOSA-N 1 3 326.444 2.570 20 0 EFADHO COc1ccc(-c2ccccc2NC(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218954039 1315264129 /nfs/dbraw/zinc/26/41/29/1315264129.db2.gz WAJXGQKQUDOHCI-KRWDZBQOSA-N 1 3 327.428 2.757 20 0 EFADHO COc1cccc([C@H](N)CC(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c1 ZINC001218997097 1315270544 /nfs/dbraw/zinc/27/05/44/1315270544.db2.gz RLJCMMHTNRCAJD-VQIMIIECSA-N 1 3 339.439 2.801 20 0 EFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc(F)c1 ZINC001250831683 1315274691 /nfs/dbraw/zinc/27/46/91/1315274691.db2.gz QLAYVZUSWSXULD-GOSISDBHSA-N 1 3 336.451 2.562 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1ccc(C(C)(C)C)[nH]1)CC2 ZINC001276805049 1315317234 /nfs/dbraw/zinc/31/72/34/1315317234.db2.gz QCPVUNQNHBEOIZ-UHFFFAOYSA-N 1 3 332.536 2.772 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC001251193747 1315329753 /nfs/dbraw/zinc/32/97/53/1315329753.db2.gz BDCUHNATPTZREK-IPMKNSEASA-N 1 3 332.488 2.765 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC001251193747 1315329755 /nfs/dbraw/zinc/32/97/55/1315329755.db2.gz BDCUHNATPTZREK-IPMKNSEASA-N 1 3 332.488 2.765 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132302 1315340513 /nfs/dbraw/zinc/34/05/13/1315340513.db2.gz FHDWWHXGUQKUKS-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132302 1315340517 /nfs/dbraw/zinc/34/05/17/1315340517.db2.gz FHDWWHXGUQKUKS-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001054132339 1315342204 /nfs/dbraw/zinc/34/22/04/1315342204.db2.gz FYJXXYVODIYZPD-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001054132339 1315342207 /nfs/dbraw/zinc/34/22/07/1315342207.db2.gz FYJXXYVODIYZPD-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054140900 1315355245 /nfs/dbraw/zinc/35/52/45/1315355245.db2.gz BJKSCAROGNLGKD-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054140900 1315355250 /nfs/dbraw/zinc/35/52/50/1315355250.db2.gz BJKSCAROGNLGKD-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc2c1C[NH2+]CC2 ZINC001219999285 1315365325 /nfs/dbraw/zinc/36/53/25/1315365325.db2.gz OZDMQMUMWBCQHE-OAQYLSRUSA-N 1 3 349.478 2.899 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145892 1315365782 /nfs/dbraw/zinc/36/57/82/1315365782.db2.gz ZIRXTUOTFMPLFT-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145892 1315365786 /nfs/dbraw/zinc/36/57/86/1315365786.db2.gz ZIRXTUOTFMPLFT-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220030376 1315366153 /nfs/dbraw/zinc/36/61/53/1315366153.db2.gz DREQPSFDASEFJI-ZWKOTPCHSA-N 1 3 329.488 2.764 20 0 EFADHO CC(C)C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220030376 1315366158 /nfs/dbraw/zinc/36/61/58/1315366158.db2.gz DREQPSFDASEFJI-ZWKOTPCHSA-N 1 3 329.488 2.764 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC001220248268 1315389329 /nfs/dbraw/zinc/38/93/29/1315389329.db2.gz OMFSKAWKNLPJJI-FQEVSTJZSA-N 1 3 339.483 2.781 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCCC2)c1 ZINC001039039480 1315412513 /nfs/dbraw/zinc/41/25/13/1315412513.db2.gz FOGOCKFRKQIVJG-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCC2)c1 ZINC001039039480 1315412518 /nfs/dbraw/zinc/41/25/18/1315412518.db2.gz FOGOCKFRKQIVJG-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220440840 1315413757 /nfs/dbraw/zinc/41/37/57/1315413757.db2.gz KKWFYUCAEJFYQC-RTBURBONSA-N 1 3 341.499 2.908 20 0 EFADHO O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220440840 1315413760 /nfs/dbraw/zinc/41/37/60/1315413760.db2.gz KKWFYUCAEJFYQC-RTBURBONSA-N 1 3 341.499 2.908 20 0 EFADHO C[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccccc1C(F)(F)F ZINC001220558851 1315425624 /nfs/dbraw/zinc/42/56/24/1315425624.db2.gz OOXMWNXDUJESPU-WFASDCNBSA-N 1 3 345.409 2.942 20 0 EFADHO O[C@H](COCc1ccccc1)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252282608 1315427309 /nfs/dbraw/zinc/42/73/09/1315427309.db2.gz QMIGJLQUOLBMHB-SFTDATJTSA-N 1 3 346.515 2.905 20 0 EFADHO O[C@H](COCc1ccccc1)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252282608 1315427312 /nfs/dbraw/zinc/42/73/12/1315427312.db2.gz QMIGJLQUOLBMHB-SFTDATJTSA-N 1 3 346.515 2.905 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC001252284708 1315428152 /nfs/dbraw/zinc/42/81/52/1315428152.db2.gz CJWMKNMTLGMMEF-HBMCJLEFSA-N 1 3 346.515 2.903 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC001252284708 1315428157 /nfs/dbraw/zinc/42/81/57/1315428157.db2.gz CJWMKNMTLGMMEF-HBMCJLEFSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC001252284708 1315428160 /nfs/dbraw/zinc/42/81/60/1315428160.db2.gz CJWMKNMTLGMMEF-HBMCJLEFSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC001252284708 1315428163 /nfs/dbraw/zinc/42/81/63/1315428163.db2.gz CJWMKNMTLGMMEF-HBMCJLEFSA-N 1 3 346.515 2.903 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054191261 1315432267 /nfs/dbraw/zinc/43/22/67/1315432267.db2.gz DOYYXGAKOPQYJC-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054191261 1315432272 /nfs/dbraw/zinc/43/22/72/1315432272.db2.gz DOYYXGAKOPQYJC-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192354 1315433588 /nfs/dbraw/zinc/43/35/88/1315433588.db2.gz VNDGEJZNAKTFQM-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192354 1315433591 /nfs/dbraw/zinc/43/35/91/1315433591.db2.gz VNDGEJZNAKTFQM-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054192250 1315433626 /nfs/dbraw/zinc/43/36/26/1315433626.db2.gz SEUMMNQILASOJA-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054192250 1315433631 /nfs/dbraw/zinc/43/36/31/1315433631.db2.gz SEUMMNQILASOJA-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196882 1315441816 /nfs/dbraw/zinc/44/18/16/1315441816.db2.gz PEHBKYXGSAYAGQ-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196882 1315441820 /nfs/dbraw/zinc/44/18/20/1315441820.db2.gz PEHBKYXGSAYAGQ-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198048 1315442623 /nfs/dbraw/zinc/44/26/23/1315442623.db2.gz OINRLEMHOWQJLN-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198048 1315442627 /nfs/dbraw/zinc/44/26/27/1315442627.db2.gz OINRLEMHOWQJLN-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198050 1315442907 /nfs/dbraw/zinc/44/29/07/1315442907.db2.gz OINRLEMHOWQJLN-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198050 1315442912 /nfs/dbraw/zinc/44/29/12/1315442912.db2.gz OINRLEMHOWQJLN-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197618 1315442967 /nfs/dbraw/zinc/44/29/67/1315442967.db2.gz FVVFXDAGGAXULX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197618 1315442970 /nfs/dbraw/zinc/44/29/70/1315442970.db2.gz FVVFXDAGGAXULX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+]1CCC[C@@H](NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252394283 1315444850 /nfs/dbraw/zinc/44/48/50/1315444850.db2.gz MOZOKMLKIISOII-QZTJIDSGSA-N 1 3 328.456 2.653 20 0 EFADHO C[N@H+]1CCC[C@@H](NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252394283 1315444853 /nfs/dbraw/zinc/44/48/53/1315444853.db2.gz MOZOKMLKIISOII-QZTJIDSGSA-N 1 3 328.456 2.653 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252396523 1315445511 /nfs/dbraw/zinc/44/55/11/1315445511.db2.gz NCCFMQHELGEINH-MSOLQXFVSA-N 1 3 328.456 2.653 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC001252396532 1315445729 /nfs/dbraw/zinc/44/57/29/1315445729.db2.gz NCCFMQHELGEINH-ROUUACIJSA-N 1 3 328.456 2.653 20 0 EFADHO C[NH+](C)CCC(C)(C)NC[C@H](O)COc1cccc2ccccc21 ZINC001252400199 1315446007 /nfs/dbraw/zinc/44/60/07/1315446007.db2.gz JRJBJKXUVUHENO-KRWDZBQOSA-N 1 3 330.472 2.899 20 0 EFADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCC[C@@H](c4ccccc4)N3)(C1)CCC2 ZINC001220781268 1315450676 /nfs/dbraw/zinc/45/06/76/1315450676.db2.gz VMYGOMLXLFIQIL-QGZVKYPTSA-N 1 3 327.472 2.790 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001054205175 1315454184 /nfs/dbraw/zinc/45/41/84/1315454184.db2.gz MBLDCKYWULRIBK-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001054205175 1315454190 /nfs/dbraw/zinc/45/41/90/1315454190.db2.gz MBLDCKYWULRIBK-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209158 1315459710 /nfs/dbraw/zinc/45/97/10/1315459710.db2.gz KKZTWUASNIZFSM-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209158 1315459712 /nfs/dbraw/zinc/45/97/12/1315459712.db2.gz KKZTWUASNIZFSM-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(C)cc1C ZINC001220962274 1315468404 /nfs/dbraw/zinc/46/84/04/1315468404.db2.gz GTUQSVAEKNOFDG-QZTJIDSGSA-N 1 3 329.488 2.745 20 0 EFADHO CC[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(C)cc1C ZINC001220962274 1315468407 /nfs/dbraw/zinc/46/84/07/1315468407.db2.gz GTUQSVAEKNOFDG-QZTJIDSGSA-N 1 3 329.488 2.745 20 0 EFADHO CC(C)CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188627 1315490042 /nfs/dbraw/zinc/49/00/42/1315490042.db2.gz ZSCLUVWKSAPQRN-KBUPBQIOSA-N 1 3 349.441 2.671 20 0 EFADHO C[N@@H+]1CCC[C@](C)(NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001221244197 1315496111 /nfs/dbraw/zinc/49/61/11/1315496111.db2.gz RILNRHVTVQWAGO-ZBFHGGJFSA-N 1 3 344.286 2.984 20 0 EFADHO C[N@H+]1CCC[C@](C)(NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001221244197 1315496116 /nfs/dbraw/zinc/49/61/16/1315496116.db2.gz RILNRHVTVQWAGO-ZBFHGGJFSA-N 1 3 344.286 2.984 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC001252756111 1315501165 /nfs/dbraw/zinc/50/11/65/1315501165.db2.gz FYTOVHKKBLWITB-GOSISDBHSA-N 1 3 346.515 2.751 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764164 1315503397 /nfs/dbraw/zinc/50/33/97/1315503397.db2.gz YROMAUJRJBOQLK-SJLPKXTDSA-N 1 3 334.504 2.655 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764164 1315503400 /nfs/dbraw/zinc/50/34/00/1315503400.db2.gz YROMAUJRJBOQLK-SJLPKXTDSA-N 1 3 334.504 2.655 20 0 EFADHO CCC[C@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252782317 1315506750 /nfs/dbraw/zinc/50/67/50/1315506750.db2.gz OOCVAPUHQKDBKP-UXHICEINSA-N 1 3 346.515 2.903 20 0 EFADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221331855 1315512190 /nfs/dbraw/zinc/51/21/90/1315512190.db2.gz GDMLPGBPGMXJQF-PCCBWWKXSA-N 1 3 349.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054244593 1315515695 /nfs/dbraw/zinc/51/56/95/1315515695.db2.gz HPJJQWHCEAEOSW-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054244593 1315515699 /nfs/dbraw/zinc/51/56/99/1315515699.db2.gz HPJJQWHCEAEOSW-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132909 1315516437 /nfs/dbraw/zinc/51/64/37/1315516437.db2.gz CVYCBLBMMCUJEZ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039132909 1315516443 /nfs/dbraw/zinc/51/64/43/1315516443.db2.gz CVYCBLBMMCUJEZ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054244972 1315516649 /nfs/dbraw/zinc/51/66/49/1315516649.db2.gz MGKMJBPHHPYBAO-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054244972 1315516651 /nfs/dbraw/zinc/51/66/51/1315516651.db2.gz MGKMJBPHHPYBAO-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134515 1315518603 /nfs/dbraw/zinc/51/86/03/1315518603.db2.gz RALIKYFBWIEOEJ-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134515 1315518608 /nfs/dbraw/zinc/51/86/08/1315518608.db2.gz RALIKYFBWIEOEJ-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO Cc1ccc(CSC[C@H](N)C(=O)N(C(C)C)C(C)(C)C[NH3+])cc1 ZINC001221394417 1315519823 /nfs/dbraw/zinc/51/98/23/1315519823.db2.gz PXWDQXKGDGRNHL-INIZCTEOSA-N 1 3 337.533 2.530 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039135632 1315520586 /nfs/dbraw/zinc/52/05/86/1315520586.db2.gz HGNFIHBIALJFJM-VANPALJFSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039135632 1315520590 /nfs/dbraw/zinc/52/05/90/1315520590.db2.gz HGNFIHBIALJFJM-VANPALJFSA-N 1 3 341.927 2.640 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135230 1315520705 /nfs/dbraw/zinc/52/07/05/1315520705.db2.gz ZDVQUZCFMANOAO-MOPGFXCFSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135230 1315520708 /nfs/dbraw/zinc/52/07/08/1315520708.db2.gz ZDVQUZCFMANOAO-MOPGFXCFSA-N 1 3 335.536 2.543 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221398888 1315520717 /nfs/dbraw/zinc/52/07/17/1315520717.db2.gz JERQYJHUFZJREO-ACRUOGEOSA-N 1 3 349.478 2.558 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039135973 1315521196 /nfs/dbraw/zinc/52/11/96/1315521196.db2.gz JLDZEYMNQJSNPM-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039135973 1315521201 /nfs/dbraw/zinc/52/12/01/1315521201.db2.gz JLDZEYMNQJSNPM-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039138547 1315526043 /nfs/dbraw/zinc/52/60/43/1315526043.db2.gz XTUQNSDURRTLLH-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039138547 1315526046 /nfs/dbraw/zinc/52/60/46/1315526046.db2.gz XTUQNSDURRTLLH-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537531 1315548895 /nfs/dbraw/zinc/54/88/95/1315548895.db2.gz FTKKRSKKOILDIV-RTLRUIJZSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537531 1315548897 /nfs/dbraw/zinc/54/88/97/1315548897.db2.gz FTKKRSKKOILDIV-RTLRUIJZSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154452 1315549814 /nfs/dbraw/zinc/54/98/14/1315549814.db2.gz YJRRAOYIWSLOKE-RBUKOAKNSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154452 1315549818 /nfs/dbraw/zinc/54/98/18/1315549818.db2.gz YJRRAOYIWSLOKE-RBUKOAKNSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221544462 1315549872 /nfs/dbraw/zinc/54/98/72/1315549872.db2.gz WLLLSRUZNQYIFQ-KZNAEPCWSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221544462 1315549876 /nfs/dbraw/zinc/54/98/76/1315549876.db2.gz WLLLSRUZNQYIFQ-KZNAEPCWSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221544462 1315549880 /nfs/dbraw/zinc/54/98/80/1315549880.db2.gz WLLLSRUZNQYIFQ-KZNAEPCWSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221544462 1315549881 /nfs/dbraw/zinc/54/98/81/1315549881.db2.gz WLLLSRUZNQYIFQ-KZNAEPCWSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221544459 1315550290 /nfs/dbraw/zinc/55/02/90/1315550290.db2.gz WLLLSRUZNQYIFQ-FGTMMUONSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221544459 1315550294 /nfs/dbraw/zinc/55/02/94/1315550294.db2.gz WLLLSRUZNQYIFQ-FGTMMUONSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221544459 1315550297 /nfs/dbraw/zinc/55/02/97/1315550297.db2.gz WLLLSRUZNQYIFQ-FGTMMUONSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221544459 1315550300 /nfs/dbraw/zinc/55/03/00/1315550300.db2.gz WLLLSRUZNQYIFQ-FGTMMUONSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC001253007883 1315550838 /nfs/dbraw/zinc/55/08/38/1315550838.db2.gz VLDBDASCZNJCSM-MJGOQNOKSA-N 1 3 328.541 2.996 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039164301 1315563399 /nfs/dbraw/zinc/56/33/99/1315563399.db2.gz IPUXRHUKZKYWBV-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039164301 1315563401 /nfs/dbraw/zinc/56/34/01/1315563401.db2.gz IPUXRHUKZKYWBV-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164708 1315564198 /nfs/dbraw/zinc/56/41/98/1315564198.db2.gz LGDPJNSDKMMEPY-IEBWSBKVSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164708 1315564202 /nfs/dbraw/zinc/56/42/02/1315564202.db2.gz LGDPJNSDKMMEPY-IEBWSBKVSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165766 1315565620 /nfs/dbraw/zinc/56/56/20/1315565620.db2.gz SJWOKOAQTAGRMO-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165766 1315565623 /nfs/dbraw/zinc/56/56/23/1315565623.db2.gz SJWOKOAQTAGRMO-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001054651555 1315567879 /nfs/dbraw/zinc/56/78/79/1315567879.db2.gz YLYYQTDZRPUCRD-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001221654161 1315570899 /nfs/dbraw/zinc/57/08/99/1315570899.db2.gz BWWNFPRHFAJBDH-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001221654161 1315570902 /nfs/dbraw/zinc/57/09/02/1315570902.db2.gz BWWNFPRHFAJBDH-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001221657248 1315571690 /nfs/dbraw/zinc/57/16/90/1315571690.db2.gz PTMDNQIBJRSBRR-RCCFBDPRSA-N 1 3 337.552 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001221657248 1315571693 /nfs/dbraw/zinc/57/16/93/1315571693.db2.gz PTMDNQIBJRSBRR-RCCFBDPRSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@](O)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC001253121920 1315572441 /nfs/dbraw/zinc/57/24/41/1315572441.db2.gz HGHRYPRFVVLZBW-OAQYLSRUSA-N 1 3 339.483 2.791 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054736189 1315572594 /nfs/dbraw/zinc/57/25/94/1315572594.db2.gz JJDHWUCARGKJIE-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccc(Br)cc1 ZINC001253216331 1315582476 /nfs/dbraw/zinc/58/24/76/1315582476.db2.gz LWNOJNNYHWAMCA-PMPSAXMXSA-N 1 3 341.293 2.597 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039179496 1315585789 /nfs/dbraw/zinc/58/57/89/1315585789.db2.gz BBDPGIUCMABYQJ-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039179496 1315585792 /nfs/dbraw/zinc/58/57/92/1315585792.db2.gz BBDPGIUCMABYQJ-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CCOCc2ccccc2)C1 ZINC001253288692 1315590168 /nfs/dbraw/zinc/59/01/68/1315590168.db2.gz AJJYFSOLUWCSFJ-ZVDOUQERSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CCOCc2ccccc2)C1 ZINC001253288692 1315590170 /nfs/dbraw/zinc/59/01/70/1315590170.db2.gz AJJYFSOLUWCSFJ-ZVDOUQERSA-N 1 3 348.531 2.912 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C[C@@H](O)COC(C)(C)C)C[C@H]3C2)cc1 ZINC001253455429 1315605458 /nfs/dbraw/zinc/60/54/58/1315605458.db2.gz WOPHKTHVTLQKRK-VAMGGRTRSA-N 1 3 346.515 2.535 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212451 1315628272 /nfs/dbraw/zinc/62/82/72/1315628272.db2.gz GNDBFKZEOVVYCY-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212451 1315628275 /nfs/dbraw/zinc/62/82/75/1315628275.db2.gz GNDBFKZEOVVYCY-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001039213539 1315630403 /nfs/dbraw/zinc/63/04/03/1315630403.db2.gz LGXLHKOFGKUTMO-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001039213539 1315630405 /nfs/dbraw/zinc/63/04/05/1315630405.db2.gz LGXLHKOFGKUTMO-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[C@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001253760495 1315635564 /nfs/dbraw/zinc/63/55/64/1315635564.db2.gz HMODSZJSZYIIIF-WOJBJXKFSA-N 1 3 346.515 2.759 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001039234108 1315657596 /nfs/dbraw/zinc/65/75/96/1315657596.db2.gz OUFMKYIGYCKHNQ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001039234108 1315657597 /nfs/dbraw/zinc/65/75/97/1315657597.db2.gz OUFMKYIGYCKHNQ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccnc(CNCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001254029298 1315666223 /nfs/dbraw/zinc/66/62/23/1315666223.db2.gz HPMOAYJZVFTTEJ-UHFFFAOYSA-N 1 3 325.456 2.507 20 0 EFADHO OC1(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029949 1315666717 /nfs/dbraw/zinc/66/67/17/1315666717.db2.gz MRKKPTUCICBHLG-UXHICEINSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029949 1315666720 /nfs/dbraw/zinc/66/67/20/1315666720.db2.gz MRKKPTUCICBHLG-UXHICEINSA-N 1 3 344.499 2.514 20 0 EFADHO CC(C)OC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254039023 1315668359 /nfs/dbraw/zinc/66/83/59/1315668359.db2.gz WNSTXRSBIYJTPZ-UHFFFAOYSA-N 1 3 346.515 2.903 20 0 EFADHO CO[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040113 1315668539 /nfs/dbraw/zinc/66/85/39/1315668539.db2.gz OHUGKPCGDNTEOM-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CO[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040113 1315668545 /nfs/dbraw/zinc/66/85/45/1315668545.db2.gz OHUGKPCGDNTEOM-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO OC1(C[N@@H+]2CC[C@@]3(C2)CCCOC3)CCN(Cc2ccccc2)CC1 ZINC001254040195 1315668648 /nfs/dbraw/zinc/66/86/48/1315668648.db2.gz RGGJNNZFCRMCRZ-HXUWFJFHSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@H+]2CC[C@@]3(C2)CCCOC3)CCN(Cc2ccccc2)CC1 ZINC001254040195 1315668650 /nfs/dbraw/zinc/66/86/50/1315668650.db2.gz RGGJNNZFCRMCRZ-HXUWFJFHSA-N 1 3 344.499 2.516 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189597 1315679156 /nfs/dbraw/zinc/67/91/56/1315679156.db2.gz XPDLCECLECZPTI-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189597 1315679158 /nfs/dbraw/zinc/67/91/58/1315679158.db2.gz XPDLCECLECZPTI-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189597 1315679160 /nfs/dbraw/zinc/67/91/60/1315679160.db2.gz XPDLCECLECZPTI-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[NH+]1CC2(C1)CCN([C@@H]1Cc3ccc(Br)cc3C1)CC2 ZINC001254287135 1315691630 /nfs/dbraw/zinc/69/16/30/1315691630.db2.gz ZWCPUXRQVOBAGO-MRXNPFEDSA-N 1 3 335.289 2.944 20 0 EFADHO CN(C)C1CC[NH+]([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254299920 1315692376 /nfs/dbraw/zinc/69/23/76/1315692376.db2.gz MBDCKUGABJTJNM-INIZCTEOSA-N 1 3 325.497 2.802 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254380510 1315699981 /nfs/dbraw/zinc/69/99/81/1315699981.db2.gz SUAKNTBXEVCSHM-VQTJNVASSA-N 1 3 344.499 2.921 20 0 EFADHO CN1CCC[C@H]([NH2+]C[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254499427 1315709961 /nfs/dbraw/zinc/70/99/61/1315709961.db2.gz FZTLWZQPSSTSSN-YJBOKZPZSA-N 1 3 343.487 2.800 20 0 EFADHO CN1CCC[C@H]([NH2+]C[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254499424 1315710402 /nfs/dbraw/zinc/71/04/02/1315710402.db2.gz FZTLWZQPSSTSSN-MAUKXSAKSA-N 1 3 343.487 2.800 20 0 EFADHO COc1cc(C[NH2+][C@@H]2CCCN(C)CC2)ccc1OC1CCOCC1 ZINC001254510683 1315712004 /nfs/dbraw/zinc/71/20/04/1315712004.db2.gz PGMBHMWLUMXMCG-QGZVFWFLSA-N 1 3 348.487 2.827 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254518247 1315713865 /nfs/dbraw/zinc/71/38/65/1315713865.db2.gz BHEQSTIDDLQBMB-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254518247 1315713868 /nfs/dbraw/zinc/71/38/68/1315713868.db2.gz BHEQSTIDDLQBMB-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4CCCN(C)CC4)C[C@H]3C2)cc1 ZINC001254519296 1315714489 /nfs/dbraw/zinc/71/44/89/1315714489.db2.gz RYOABLUVSFKVJT-NJDAHSKKSA-N 1 3 327.516 2.843 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519413 1315714687 /nfs/dbraw/zinc/71/46/87/1315714687.db2.gz IDPNULHFCINJKQ-LPHOPBHVSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@H](N2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519413 1315714690 /nfs/dbraw/zinc/71/46/90/1315714690.db2.gz IDPNULHFCINJKQ-LPHOPBHVSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CCCN3C(=O)c3ccco3)CC2)CC1 ZINC001254520397 1315715668 /nfs/dbraw/zinc/71/56/68/1315715668.db2.gz OBMWNDBBLZEPJX-QGZVFWFLSA-N 1 3 345.487 2.835 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC3(CCCN3C(=O)c3ccco3)CC2)CC1 ZINC001254520397 1315715671 /nfs/dbraw/zinc/71/56/71/1315715671.db2.gz OBMWNDBBLZEPJX-QGZVFWFLSA-N 1 3 345.487 2.835 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523817 1315716186 /nfs/dbraw/zinc/71/61/86/1315716186.db2.gz WHINEBRZTYIUQO-QWFCFKBJSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523817 1315716188 /nfs/dbraw/zinc/71/61/88/1315716188.db2.gz WHINEBRZTYIUQO-QWFCFKBJSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523815 1315716407 /nfs/dbraw/zinc/71/64/07/1315716407.db2.gz WHINEBRZTYIUQO-CMKODMSKSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523815 1315716411 /nfs/dbraw/zinc/71/64/11/1315716411.db2.gz WHINEBRZTYIUQO-CMKODMSKSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CC2)c2cccc(F)c2NC3=O)CC1 ZINC001254521937 1315716653 /nfs/dbraw/zinc/71/66/53/1315716653.db2.gz AGSUGRPLAGERNM-CQSZACIVSA-N 1 3 331.435 2.596 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC3(CC2)c2cccc(F)c2NC3=O)CC1 ZINC001254521937 1315716655 /nfs/dbraw/zinc/71/66/55/1315716655.db2.gz AGSUGRPLAGERNM-CQSZACIVSA-N 1 3 331.435 2.596 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CCC[N@@H+](C)CC4)C3)CC2=O)s1 ZINC001254524179 1315717666 /nfs/dbraw/zinc/71/76/66/1315717666.db2.gz YOKOOIUJNXZVLX-QFBILLFUSA-N 1 3 347.528 2.970 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CCC[N@H+](C)CC4)C3)CC2=O)s1 ZINC001254524179 1315717668 /nfs/dbraw/zinc/71/76/68/1315717668.db2.gz YOKOOIUJNXZVLX-QFBILLFUSA-N 1 3 347.528 2.970 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]C(C)(C)C(C)(C)N)CS2 ZINC001254689955 1315740987 /nfs/dbraw/zinc/74/09/87/1315740987.db2.gz FTYTUCKPQXMQHD-LBPRGKRZSA-N 1 3 343.537 2.587 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373464 1315746555 /nfs/dbraw/zinc/74/65/55/1315746555.db2.gz VUYUWROEPLUEHI-CEXWTWQISA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373464 1315746559 /nfs/dbraw/zinc/74/65/59/1315746559.db2.gz VUYUWROEPLUEHI-CEXWTWQISA-N 1 3 333.520 2.891 20 0 EFADHO [NH2+]=C(N[C@@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1F ZINC001254847697 1315749454 /nfs/dbraw/zinc/74/94/54/1315749454.db2.gz JJYALGQEMUETFI-GFCCVEGCSA-N 1 3 340.240 2.987 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207696 1315749866 /nfs/dbraw/zinc/74/98/66/1315749866.db2.gz ZAYFRPIOOAMWKW-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207696 1315749867 /nfs/dbraw/zinc/74/98/67/1315749867.db2.gz ZAYFRPIOOAMWKW-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254891302 1315755388 /nfs/dbraw/zinc/75/53/88/1315755388.db2.gz PDYSMNSUFIKZOM-YVSFHVDLSA-N 1 3 337.508 2.706 20 0 EFADHO O=C1C[C@H]2CC([NH2+]CC3CCN(Cc4cccnc4)CC3)C[C@@H]2C1 ZINC001254933172 1315760246 /nfs/dbraw/zinc/76/02/46/1315760246.db2.gz DMJUVRWVDDWTGN-QZTJIDSGSA-N 1 3 327.472 2.641 20 0 EFADHO COc1ccc(CC2([NH3+])CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254942269 1315761717 /nfs/dbraw/zinc/76/17/17/1315761717.db2.gz VCJXEXDNCFZPMR-IRXDYDNUSA-N 1 3 342.483 2.789 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254965294 1315766555 /nfs/dbraw/zinc/76/65/55/1315766555.db2.gz WIIIYABBLARPKE-RTBURBONSA-N 1 3 349.563 2.874 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001039410994 1315773311 /nfs/dbraw/zinc/77/33/11/1315773311.db2.gz GSXOWWXCMSZMIG-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001039410994 1315773313 /nfs/dbraw/zinc/77/33/13/1315773313.db2.gz GSXOWWXCMSZMIG-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001039411553 1315773783 /nfs/dbraw/zinc/77/37/83/1315773783.db2.gz YTJIQMSUVYPSEN-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001039411553 1315773787 /nfs/dbraw/zinc/77/37/87/1315773787.db2.gz YTJIQMSUVYPSEN-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CN1C[C@@H]2C[N@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255147119 1315783173 /nfs/dbraw/zinc/78/31/73/1315783173.db2.gz MFWXEAQFXCBNEF-CZLMFIFXSA-N 1 3 325.500 2.675 20 0 EFADHO CN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255147119 1315783174 /nfs/dbraw/zinc/78/31/74/1315783174.db2.gz MFWXEAQFXCBNEF-CZLMFIFXSA-N 1 3 325.500 2.675 20 0 EFADHO CN1CCC(c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)CC1 ZINC001255366874 1315811082 /nfs/dbraw/zinc/81/10/82/1315811082.db2.gz UPSWEZWWRMCLIS-QGZVFWFLSA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC(c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)CC1 ZINC001255366874 1315811085 /nfs/dbraw/zinc/81/10/85/1315811085.db2.gz UPSWEZWWRMCLIS-QGZVFWFLSA-N 1 3 326.444 2.868 20 0 EFADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)NCc1ccco1 ZINC001255388600 1315814539 /nfs/dbraw/zinc/81/45/39/1315814539.db2.gz GHVTZQFZORONRA-SFHVURJKSA-N 1 3 341.455 2.540 20 0 EFADHO COCCN1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255391749 1315815140 /nfs/dbraw/zinc/81/51/40/1315815140.db2.gz SOIBEKPHWFAFGZ-HXUWFJFHSA-N 1 3 345.531 2.742 20 0 EFADHO COC(=O)N1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397862 1315816430 /nfs/dbraw/zinc/81/64/30/1315816430.db2.gz HXWYVJWVCCSXDN-IBGZPJMESA-N 1 3 345.487 2.815 20 0 EFADHO COC(=O)N1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397862 1315816433 /nfs/dbraw/zinc/81/64/33/1315816433.db2.gz HXWYVJWVCCSXDN-IBGZPJMESA-N 1 3 345.487 2.815 20 0 EFADHO CN(C)C(=O)C1([NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)CCC1 ZINC001255398133 1315818038 /nfs/dbraw/zinc/81/80/38/1315818038.db2.gz RWSCZSCSQNNVON-GOSISDBHSA-N 1 3 329.488 2.642 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409860 1315820559 /nfs/dbraw/zinc/82/05/59/1315820559.db2.gz LWQBQWHZFJNVMC-LEWJYISDSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409860 1315820560 /nfs/dbraw/zinc/82/05/60/1315820560.db2.gz LWQBQWHZFJNVMC-LEWJYISDSA-N 1 3 343.515 2.984 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039484251 1315829901 /nfs/dbraw/zinc/82/99/01/1315829901.db2.gz VTFKNXOULFJIRM-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001039484251 1315829904 /nfs/dbraw/zinc/82/99/04/1315829904.db2.gz VTFKNXOULFJIRM-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC1CC(C[N@H+](CC2CC2)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039484218 1315830328 /nfs/dbraw/zinc/83/03/28/1315830328.db2.gz UMBODIFLAITCOV-OUNSHVDWSA-N 1 3 347.547 2.830 20 0 EFADHO CC1CC(C[N@@H+](CC2CC2)C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039484218 1315830331 /nfs/dbraw/zinc/83/03/31/1315830331.db2.gz UMBODIFLAITCOV-OUNSHVDWSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)C1CC1 ZINC001039486651 1315834638 /nfs/dbraw/zinc/83/46/38/1315834638.db2.gz PHINMFRKNRDOCD-FQEVSTJZSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)C1CC1 ZINC001039486651 1315834644 /nfs/dbraw/zinc/83/46/44/1315834644.db2.gz PHINMFRKNRDOCD-FQEVSTJZSA-N 1 3 347.547 2.830 20 0 EFADHO O=C(CN1CCCC1)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039491248 1315840595 /nfs/dbraw/zinc/84/05/95/1315840595.db2.gz WLWJRRPGDLFTKF-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001039491248 1315840598 /nfs/dbraw/zinc/84/05/98/1315840598.db2.gz WLWJRRPGDLFTKF-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO COC[C@H](C)[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001255574322 1315842305 /nfs/dbraw/zinc/84/23/05/1315842305.db2.gz RFKUFUFNXOZIPI-HKUYNNGSSA-N 1 3 332.488 2.777 20 0 EFADHO COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001255672517 1315856029 /nfs/dbraw/zinc/85/60/29/1315856029.db2.gz IEKLGSVSMCIEEV-PHSGOXPASA-N 1 3 346.471 2.904 20 0 EFADHO COc1ccc(CN2CC[NH+](C3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001255680332 1315857283 /nfs/dbraw/zinc/85/72/83/1315857283.db2.gz NXWDKZSLURVDCT-YOFSQIOKSA-N 1 3 343.515 2.828 20 0 EFADHO COc1cccc(CN2CC[NH+](C3C[C@H]4CCC[C@@H](C3)N4C)CC2)c1 ZINC001255681414 1315858024 /nfs/dbraw/zinc/85/80/24/1315858024.db2.gz UKSFWHDZZJCHKP-YOFSQIOKSA-N 1 3 343.515 2.828 20 0 EFADHO COc1ccnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001255682476 1315858196 /nfs/dbraw/zinc/85/81/96/1315858196.db2.gz LNIRMNVMVPMVTC-ONYGOOLBSA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001255682476 1315858197 /nfs/dbraw/zinc/85/81/97/1315858197.db2.gz LNIRMNVMVPMVTC-ONYGOOLBSA-N 1 3 331.460 2.559 20 0 EFADHO CC(C)N1CCC(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC001255798833 1315867933 /nfs/dbraw/zinc/86/79/33/1315867933.db2.gz FSJMLAUBEYSMQE-INIZCTEOSA-N 1 3 338.517 2.559 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589405 1315880848 /nfs/dbraw/zinc/88/08/48/1315880848.db2.gz BPVPVOMXKBKPRF-WCIQWLHISA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589405 1315880852 /nfs/dbraw/zinc/88/08/52/1315880852.db2.gz BPVPVOMXKBKPRF-WCIQWLHISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001039596387 1315882021 /nfs/dbraw/zinc/88/20/21/1315882021.db2.gz WTXBBBJMUVTQET-OQIJWPOYSA-N 1 3 347.547 2.828 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC(C)(C)C2)CC[N@H+]1C ZINC001039596387 1315882025 /nfs/dbraw/zinc/88/20/25/1315882025.db2.gz WTXBBBJMUVTQET-OQIJWPOYSA-N 1 3 347.547 2.828 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255941508 1315882706 /nfs/dbraw/zinc/88/27/06/1315882706.db2.gz SERCZTVQEIJCKT-BZUAXINKSA-N 1 3 327.513 3.000 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC001255944654 1315883411 /nfs/dbraw/zinc/88/34/11/1315883411.db2.gz WUZOGTZHZUJHIF-VQIMIIECSA-N 1 3 345.531 2.826 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946547 1315883511 /nfs/dbraw/zinc/88/35/11/1315883511.db2.gz AVRVZKKZILHADC-HUUCEWRRSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946547 1315883512 /nfs/dbraw/zinc/88/35/12/1315883512.db2.gz AVRVZKKZILHADC-HUUCEWRRSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2ccccc2OC)C1 ZINC001255952572 1315883665 /nfs/dbraw/zinc/88/36/65/1315883665.db2.gz FJTWDKKJBHTWSK-MJGOQNOKSA-N 1 3 333.520 2.980 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001255953760 1315884358 /nfs/dbraw/zinc/88/43/58/1315884358.db2.gz ODGMZTFLMIAZPX-BHIYHBOVSA-N 1 3 346.519 2.833 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001255956493 1315884578 /nfs/dbraw/zinc/88/45/78/1315884578.db2.gz KPJOROGWESAOEM-LUKYLMHMSA-N 1 3 339.524 2.809 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001255956493 1315884581 /nfs/dbraw/zinc/88/45/81/1315884581.db2.gz KPJOROGWESAOEM-LUKYLMHMSA-N 1 3 339.524 2.809 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ncccc2OC)CCOCC1 ZINC001255954040 1315884660 /nfs/dbraw/zinc/88/46/60/1315884660.db2.gz RJLMUMSPORDKPN-KRWDZBQOSA-N 1 3 349.519 2.848 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961167 1315885690 /nfs/dbraw/zinc/88/56/90/1315885690.db2.gz VLENHNIWRYNWRM-FXAWDEMLSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961167 1315885693 /nfs/dbraw/zinc/88/56/93/1315885693.db2.gz VLENHNIWRYNWRM-FXAWDEMLSA-N 1 3 344.503 2.631 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961167 1315885697 /nfs/dbraw/zinc/88/56/97/1315885697.db2.gz VLENHNIWRYNWRM-FXAWDEMLSA-N 1 3 344.503 2.631 20 0 EFADHO CCC(CC)N1CCC([NH2+]C2CCN(c3ncccn3)CC2)CC1 ZINC001256052223 1315896627 /nfs/dbraw/zinc/89/66/27/1315896627.db2.gz QJFWKYGYMHDVHB-UHFFFAOYSA-N 1 3 331.508 2.688 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C4CCN(C5CC5)CC4)C[C@H]3C2)cc1 ZINC001256078200 1315901139 /nfs/dbraw/zinc/90/11/39/1315901139.db2.gz XERSFXSDLZDTBM-WOJBJXKFSA-N 1 3 339.527 2.985 20 0 EFADHO C[N@H+]1C[C@H]2CN([C@H]3CCc4cccc(Br)c4C3)C[C@H]2C1 ZINC001256136755 1315908197 /nfs/dbraw/zinc/90/81/97/1315908197.db2.gz BGRGWEQYLLJKGM-ZNMIVQPWSA-N 1 3 335.289 2.800 20 0 EFADHO C[N@@H+]1C[C@H]2CN([C@H]3CCc4cccc(Br)c4C3)C[C@H]2C1 ZINC001256136755 1315908199 /nfs/dbraw/zinc/90/81/99/1315908199.db2.gz BGRGWEQYLLJKGM-ZNMIVQPWSA-N 1 3 335.289 2.800 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039718210 1315912499 /nfs/dbraw/zinc/91/24/99/1315912499.db2.gz RSRBJNHFQFRZGG-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039718210 1315912503 /nfs/dbraw/zinc/91/25/03/1315912503.db2.gz RSRBJNHFQFRZGG-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CN1CCC(N(c2cccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC1 ZINC001256208922 1315918733 /nfs/dbraw/zinc/91/87/33/1315918733.db2.gz KWNXYSHEOJGRQU-UHFFFAOYSA-N 1 3 342.409 2.753 20 0 EFADHO CCOC(=O)N1CCC([NH+]2CCC(N)(c3ccc(F)cc3)CC2)CC1 ZINC001256234246 1315921510 /nfs/dbraw/zinc/92/15/10/1315921510.db2.gz KJBGKLOJFVBVNC-UHFFFAOYSA-N 1 3 349.450 2.696 20 0 EFADHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001256242894 1315922337 /nfs/dbraw/zinc/92/23/37/1315922337.db2.gz FPHDEGVJVWWTRM-KRWDZBQOSA-N 1 3 337.508 2.948 20 0 EFADHO CCOC(=O)N1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001256242894 1315922339 /nfs/dbraw/zinc/92/23/39/1315922339.db2.gz FPHDEGVJVWWTRM-KRWDZBQOSA-N 1 3 337.508 2.948 20 0 EFADHO CCOC(=O)N1CCC(N2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001256242894 1315922343 /nfs/dbraw/zinc/92/23/43/1315922343.db2.gz FPHDEGVJVWWTRM-KRWDZBQOSA-N 1 3 337.508 2.948 20 0 EFADHO CCOC1CCC([NH2+]Cc2ccccc2CN2CCN(C)CC2)CC1 ZINC001256429977 1315939992 /nfs/dbraw/zinc/93/99/92/1315939992.db2.gz WZXBOVVFMDGQRY-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC(N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001256470416 1315945722 /nfs/dbraw/zinc/94/57/22/1315945722.db2.gz VEEMPTALJVOGRQ-GOEBONIOSA-N 1 3 325.497 2.800 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039795807 1315948803 /nfs/dbraw/zinc/94/88/03/1315948803.db2.gz JTGYASFVPRJARU-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1C[C@H](NCc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256526543 1315951200 /nfs/dbraw/zinc/95/12/00/1315951200.db2.gz MERFXEZMLAIXGG-QFBILLFUSA-N 1 3 325.456 2.528 20 0 EFADHO C[C@H]1C[C@H](NCc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256526543 1315951203 /nfs/dbraw/zinc/95/12/03/1315951203.db2.gz MERFXEZMLAIXGG-QFBILLFUSA-N 1 3 325.456 2.528 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)(C1)C2 ZINC001256523548 1315951234 /nfs/dbraw/zinc/95/12/34/1315951234.db2.gz PSJOAPHKTQHHFP-ZRFLGMCQSA-N 1 3 328.456 2.725 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)(C1)C2 ZINC001256523548 1315951238 /nfs/dbraw/zinc/95/12/38/1315951238.db2.gz PSJOAPHKTQHHFP-ZRFLGMCQSA-N 1 3 328.456 2.725 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256520914 1315951541 /nfs/dbraw/zinc/95/15/41/1315951541.db2.gz WBLUJSPUTMQTMS-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256520914 1315951547 /nfs/dbraw/zinc/95/15/47/1315951547.db2.gz WBLUJSPUTMQTMS-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2(c3ccccn3)CCOCC2)CC1 ZINC001256567001 1315960702 /nfs/dbraw/zinc/96/07/02/1315960702.db2.gz POZGLFXOQHBJFX-UHFFFAOYSA-N 1 3 331.504 2.982 20 0 EFADHO CC(C)(C)[NH+]1CCC(NCC2(c3ccccn3)CCOCC2)CC1 ZINC001256567001 1315960704 /nfs/dbraw/zinc/96/07/04/1315960704.db2.gz POZGLFXOQHBJFX-UHFFFAOYSA-N 1 3 331.504 2.982 20 0 EFADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C3CC[NH+](C(C)(C)C)CC3)O2)n1 ZINC001256571353 1315961203 /nfs/dbraw/zinc/96/12/03/1315961203.db2.gz YGXAQYCIBWTCOL-ZACQAIPSSA-N 1 3 348.491 2.935 20 0 EFADHO CC(C)CN1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256583638 1315963957 /nfs/dbraw/zinc/96/39/57/1315963957.db2.gz JKHRFQDTYVBLCB-UHFFFAOYSA-N 1 3 330.520 2.756 20 0 EFADHO c1cc(CN2CCC([NH2+]C3CCN(CC4CCC4)CC3)CC2)ccn1 ZINC001256585089 1315964969 /nfs/dbraw/zinc/96/49/69/1315964969.db2.gz BNTMDBXTHKHJNT-UHFFFAOYSA-N 1 3 342.531 2.900 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001256629428 1315972411 /nfs/dbraw/zinc/97/24/11/1315972411.db2.gz FRZJOYTZOHKCJU-VPSFDDGASA-N 1 3 330.472 2.901 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001256629428 1315972413 /nfs/dbraw/zinc/97/24/13/1315972413.db2.gz FRZJOYTZOHKCJU-VPSFDDGASA-N 1 3 330.472 2.901 20 0 EFADHO COc1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256675085 1315979452 /nfs/dbraw/zinc/97/94/52/1315979452.db2.gz DJRGWHHIDWLMIM-IOJLRTSASA-N 1 3 344.499 2.786 20 0 EFADHO CN(C)C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678859 1315980220 /nfs/dbraw/zinc/98/02/20/1315980220.db2.gz SRAVCVWBAVJYFX-SOAGJPPSSA-N 1 3 331.504 2.522 20 0 EFADHO Clc1ccccc1OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678202 1315980289 /nfs/dbraw/zinc/98/02/89/1315980289.db2.gz UBDPFUFSFSXGEA-UHFFFAOYSA-N 1 3 338.879 2.952 20 0 EFADHO c1cn(-c2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2)cn1 ZINC001256678542 1315980398 /nfs/dbraw/zinc/98/03/98/1315980398.db2.gz NRQXNZVHYSFBAL-UHFFFAOYSA-N 1 3 340.471 2.605 20 0 EFADHO c1cnn(-c2ccccc2C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256682761 1315980742 /nfs/dbraw/zinc/98/07/42/1315980742.db2.gz PIULPOFCYLSXTN-UHFFFAOYSA-N 1 3 340.471 2.605 20 0 EFADHO [NH3+]CC[C@@H]1CN(C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256682735 1315980764 /nfs/dbraw/zinc/98/07/64/1315980764.db2.gz OELWFMPCNZIZQG-WWDZGPRUSA-N 1 3 329.488 2.582 20 0 EFADHO C([NH2+]C1CCC(N2CCOCC2)CC1)C1(CC2CC2)CCOCC1 ZINC001256680679 1315980974 /nfs/dbraw/zinc/98/09/74/1315980974.db2.gz APMOCGUZUSTSLD-UHFFFAOYSA-N 1 3 336.520 2.816 20 0 EFADHO COc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682190 1315981139 /nfs/dbraw/zinc/98/11/39/1315981139.db2.gz FUKZMKWVFJLHGY-LADRWXRNSA-N 1 3 330.472 2.916 20 0 EFADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686932 1315981376 /nfs/dbraw/zinc/98/13/76/1315981376.db2.gz WECPAVHTNMTBOB-IVMQYODDSA-N 1 3 332.488 2.946 20 0 EFADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)Cc1ccncc1 ZINC001256685892 1315981765 /nfs/dbraw/zinc/98/17/65/1315981765.db2.gz IRUCXFZUKMKBIR-UHFFFAOYSA-N 1 3 331.504 2.883 20 0 EFADHO Cc1cccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)n1 ZINC001256687530 1315982268 /nfs/dbraw/zinc/98/22/68/1315982268.db2.gz XUENILPSKLCXLH-UHFFFAOYSA-N 1 3 329.488 2.655 20 0 EFADHO c1ccc2c(c1)CC[C@H](C[NH2+]C1CCC(N3CCOCC3)CC1)O2 ZINC001256688369 1315982277 /nfs/dbraw/zinc/98/22/77/1315982277.db2.gz WTKJBZSOXCDNFB-CTWPCTMYSA-N 1 3 330.472 2.613 20 0 EFADHO C[N@H+](C[C@H]1Cc2ccccc2O1)C1CCC(N2CCOCC2)CC1 ZINC001256698388 1315983761 /nfs/dbraw/zinc/98/37/61/1315983761.db2.gz AKCKNWMMLUGELP-CTWPCTMYSA-N 1 3 330.472 2.565 20 0 EFADHO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC(N2CCOCC2)CC1 ZINC001256698388 1315983763 /nfs/dbraw/zinc/98/37/63/1315983763.db2.gz AKCKNWMMLUGELP-CTWPCTMYSA-N 1 3 330.472 2.565 20 0 EFADHO CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(N2CCOCC2)CC1 ZINC001256699005 1315983788 /nfs/dbraw/zinc/98/37/88/1315983788.db2.gz ILSSEWJCVWNOAK-UHFFFAOYSA-N 1 3 346.471 2.881 20 0 EFADHO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(N2CCOCC2)CC1 ZINC001256699005 1315983789 /nfs/dbraw/zinc/98/37/89/1315983789.db2.gz ILSSEWJCVWNOAK-UHFFFAOYSA-N 1 3 346.471 2.881 20 0 EFADHO CCCCN1CCC([N@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256698924 1315983891 /nfs/dbraw/zinc/98/38/91/1315983891.db2.gz GUTHUJCSGYANGH-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO CCCCN1CCC([N@@H+](C)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256698924 1315983893 /nfs/dbraw/zinc/98/38/93/1315983893.db2.gz GUTHUJCSGYANGH-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO CC(C)[C@@H]1[NH2+]CCc2ncn(C3CCC(N4CCOCC4)CC3)c21 ZINC001256695777 1315983897 /nfs/dbraw/zinc/98/38/97/1315983897.db2.gz MPOXVMVMIQUSGE-HTWSVDAQSA-N 1 3 332.492 2.542 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806649 1315993200 /nfs/dbraw/zinc/99/32/00/1315993200.db2.gz HXFQHNQSHVTINQ-MSOLQXFVSA-N 1 3 346.471 2.653 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806649 1315993203 /nfs/dbraw/zinc/99/32/03/1315993203.db2.gz HXFQHNQSHVTINQ-MSOLQXFVSA-N 1 3 346.471 2.653 20 0 EFADHO COc1ccc(C(=O)CNC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001256845716 1315997918 /nfs/dbraw/zinc/99/79/18/1315997918.db2.gz DZNLFIVXESKNOW-UHFFFAOYSA-N 1 3 325.412 2.532 20 0 EFADHO FC(F)(F)Cn1cnc(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001256854455 1315999592 /nfs/dbraw/zinc/99/95/92/1315999592.db2.gz SFCYFIVKDZHHOR-UHFFFAOYSA-N 1 3 339.365 2.599 20 0 EFADHO FC1(F)CSC2(CN(C3CCN(c4cc[nH+]cc4)CC3)C2)C1 ZINC001256862068 1316001391 /nfs/dbraw/zinc/00/13/91/1316001391.db2.gz HJHRBJNYZNFCKH-UHFFFAOYSA-N 1 3 325.428 2.877 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901567 1316006814 /nfs/dbraw/zinc/00/68/14/1316006814.db2.gz YCZSRTYROWLGGV-WBVHZDCISA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901567 1316006817 /nfs/dbraw/zinc/00/68/17/1316006817.db2.gz YCZSRTYROWLGGV-WBVHZDCISA-N 1 3 337.508 2.992 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001257041085 1316024139 /nfs/dbraw/zinc/02/41/39/1316024139.db2.gz RDPIINPLBDFQHH-OALUTQOASA-N 1 3 345.487 2.615 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039972566 1316042300 /nfs/dbraw/zinc/04/23/00/1316042300.db2.gz QYNQLBZRKCPMRV-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001039974172 1316043994 /nfs/dbraw/zinc/04/39/94/1316043994.db2.gz PUTCEQXIXQWUNE-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001039974172 1316043998 /nfs/dbraw/zinc/04/39/98/1316043998.db2.gz PUTCEQXIXQWUNE-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CCOC(=O)CC1(NC2CC[NH+](C(C)C)CC2)Cc2ccccc2C1 ZINC001257205901 1316046217 /nfs/dbraw/zinc/04/62/17/1316046217.db2.gz RMCFUUZESSHYDB-UHFFFAOYSA-N 1 3 344.499 2.940 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001257213220 1316046996 /nfs/dbraw/zinc/04/69/96/1316046996.db2.gz IBSVZBRXNNNTBL-RYQLBKOJSA-N 1 3 349.519 2.870 20 0 EFADHO CC(C)N1CCC([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001257216625 1316048071 /nfs/dbraw/zinc/04/80/71/1316048071.db2.gz FYUIVNLYSZWADP-PMACEKPBSA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)CC1 ZINC001257217377 1316048217 /nfs/dbraw/zinc/04/82/17/1316048217.db2.gz NJMQHSNHQIOXEX-UFYCRDLUSA-N 1 3 345.487 2.565 20 0 EFADHO CC(C)N1CCC([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001257216627 1316048263 /nfs/dbraw/zinc/04/82/63/1316048263.db2.gz FYUIVNLYSZWADP-WOJBJXKFSA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)[NH+]1CCC(N2CC[C@]3(C2)CCCN(c2ncccn2)C3)CC1 ZINC001257217836 1316048348 /nfs/dbraw/zinc/04/83/48/1316048348.db2.gz QTKJBPDMWCMWFZ-FQEVSTJZSA-N 1 3 343.519 2.642 20 0 EFADHO CC(C)N1CCC([NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC001257216634 1316048528 /nfs/dbraw/zinc/04/85/28/1316048528.db2.gz GGSUHMLQOLRHIO-UHFFFAOYSA-N 1 3 325.497 2.706 20 0 EFADHO CCC[C@@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257245243 1316050679 /nfs/dbraw/zinc/05/06/79/1316050679.db2.gz MDOUTQUYJYMDOY-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2=CCCCC2)C1 ZINC001040006086 1316052590 /nfs/dbraw/zinc/05/25/90/1316052590.db2.gz QIRKNRQEVPXWGG-SLFFLAALSA-N 1 3 345.531 2.894 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2=CCCCC2)C1 ZINC001040006086 1316052593 /nfs/dbraw/zinc/05/25/93/1316052593.db2.gz QIRKNRQEVPXWGG-SLFFLAALSA-N 1 3 345.531 2.894 20 0 EFADHO CCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257306422 1316054808 /nfs/dbraw/zinc/05/48/08/1316054808.db2.gz REGNPRFHXUXYMA-SJLPKXTDSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1)[NH+]1CCCC1 ZINC001040017565 1316056768 /nfs/dbraw/zinc/05/67/68/1316056768.db2.gz VCCOYRNTHAMSNA-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC(C)([NH3+])CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257580076 1316076735 /nfs/dbraw/zinc/07/67/35/1316076735.db2.gz DJFGUURIJAWHPI-QDMKHBRRSA-N 1 3 325.497 2.976 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H]3CCCSC3)CC2)C1 ZINC001257671174 1316084121 /nfs/dbraw/zinc/08/41/21/1316084121.db2.gz MDNNZBWIWKNJPV-WBVHZDCISA-N 1 3 340.533 2.622 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H]3CCCSC3)CC2)C1 ZINC001257671174 1316084123 /nfs/dbraw/zinc/08/41/23/1316084123.db2.gz MDNNZBWIWKNJPV-WBVHZDCISA-N 1 3 340.533 2.622 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@H]3CCCSC3)CC2)C1 ZINC001257671172 1316084150 /nfs/dbraw/zinc/08/41/50/1316084150.db2.gz MDNNZBWIWKNJPV-RDJZCZTQSA-N 1 3 340.533 2.622 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@H]3CCCSC3)CC2)C1 ZINC001257671172 1316084151 /nfs/dbraw/zinc/08/41/51/1316084151.db2.gz MDNNZBWIWKNJPV-RDJZCZTQSA-N 1 3 340.533 2.622 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC23CCN([C@H]2CCCSC2)CC3)n1 ZINC001257676041 1316085369 /nfs/dbraw/zinc/08/53/69/1316085369.db2.gz RPWWSSRZMUCUSK-KRWDZBQOSA-N 1 3 334.533 2.746 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC23CCN([C@H]2CCCSC2)CC3)n1 ZINC001257676041 1316085370 /nfs/dbraw/zinc/08/53/70/1316085370.db2.gz RPWWSSRZMUCUSK-KRWDZBQOSA-N 1 3 334.533 2.746 20 0 EFADHO C[C@H](CN)C[N@H+](C)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843144 1316096577 /nfs/dbraw/zinc/09/65/77/1316096577.db2.gz OFLKYQYLYLFJJV-JZWPEALZSA-N 1 3 325.497 2.549 20 0 EFADHO C[C@H](CN)C[N@@H+](C)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843144 1316096580 /nfs/dbraw/zinc/09/65/80/1316096580.db2.gz OFLKYQYLYLFJJV-JZWPEALZSA-N 1 3 325.497 2.549 20 0 EFADHO CC(C)OC1CCC([NH+](CCCN(C)C)CCCN(C)C)CC1 ZINC001257883249 1316100579 /nfs/dbraw/zinc/10/05/79/1316100579.db2.gz UNONZNOHHIBMBC-UHFFFAOYSA-N 1 3 327.557 2.928 20 0 EFADHO c1cncc(CN2CCC(C[NH2+]C3CCC4(COC4)CC3)CC2)c1 ZINC001257901446 1316102092 /nfs/dbraw/zinc/10/20/92/1316102092.db2.gz HCOLHNUKEMFLIT-UHFFFAOYSA-N 1 3 329.488 2.842 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001258004572 1316108714 /nfs/dbraw/zinc/10/87/14/1316108714.db2.gz GPIYQGCODMPLSI-ICSRJNTNSA-N 1 3 329.488 2.716 20 0 EFADHO COc1ccc2c(c1)C[C@@H](C[NH2+]C1CCN(CC(C)C)CC1)CO2 ZINC001258007783 1316109444 /nfs/dbraw/zinc/10/94/44/1316109444.db2.gz SKLPEHJIDFKDQR-INIZCTEOSA-N 1 3 332.488 2.956 20 0 EFADHO COc1ccc2c(c1)C[C@@H](CNC1CC[NH+](CC(C)C)CC1)CO2 ZINC001258007783 1316109446 /nfs/dbraw/zinc/10/94/46/1316109446.db2.gz SKLPEHJIDFKDQR-INIZCTEOSA-N 1 3 332.488 2.956 20 0 EFADHO CC(C)C[NH+]1CCC(n2nc(CN(C)C(C)C)c3c2CNCC3)CC1 ZINC001258012556 1316109885 /nfs/dbraw/zinc/10/98/85/1316109885.db2.gz WMESTQFACSZJFI-UHFFFAOYSA-N 1 3 347.551 2.662 20 0 EFADHO CC(C)C[NH+]1CCC(N2CCCN(Cc3ccncc3)CC2)CC1 ZINC001258012075 1316110253 /nfs/dbraw/zinc/11/02/53/1316110253.db2.gz RXBWCBSIHYULDI-UHFFFAOYSA-N 1 3 330.520 2.710 20 0 EFADHO CC(C)CN1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC001258014435 1316110587 /nfs/dbraw/zinc/11/05/87/1316110587.db2.gz KEGCQDGJTFGSNN-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258095020 1316119051 /nfs/dbraw/zinc/11/90/51/1316119051.db2.gz WYNPNKOXLZZKIC-RDGPPVDQSA-N 1 3 331.508 2.808 20 0 EFADHO CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258095020 1316119054 /nfs/dbraw/zinc/11/90/54/1316119054.db2.gz WYNPNKOXLZZKIC-RDGPPVDQSA-N 1 3 331.508 2.808 20 0 EFADHO FC1(F)CO[C@H]2CN(C3CC[NH+](CCc4ccccc4)CC3)C[C@H]21 ZINC001258142492 1316124526 /nfs/dbraw/zinc/12/45/26/1316124526.db2.gz IRNRQAQQCGLUEG-MSOLQXFVSA-N 1 3 336.426 2.659 20 0 EFADHO COC(=O)[C@@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC12CC2 ZINC001258149868 1316125194 /nfs/dbraw/zinc/12/51/94/1316125194.db2.gz RIQRFQKJUIINHV-IBGZPJMESA-N 1 3 342.483 2.579 20 0 EFADHO CSCC[C@@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258219905 1316133438 /nfs/dbraw/zinc/13/34/38/1316133438.db2.gz MHZNOQDNDWMLIW-BPQIPLTHSA-N 1 3 326.550 2.951 20 0 EFADHO CSCC[C@@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258219905 1316133440 /nfs/dbraw/zinc/13/34/40/1316133440.db2.gz MHZNOQDNDWMLIW-BPQIPLTHSA-N 1 3 326.550 2.951 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC001258291047 1316137549 /nfs/dbraw/zinc/13/75/49/1316137549.db2.gz FFPVUZUZRRHECA-BDXSIMOUSA-N 1 3 331.508 2.642 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC001258291047 1316137552 /nfs/dbraw/zinc/13/75/52/1316137552.db2.gz FFPVUZUZRRHECA-BDXSIMOUSA-N 1 3 331.508 2.642 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCC2)C3)CCC1 ZINC001040237584 1316158685 /nfs/dbraw/zinc/15/86/85/1316158685.db2.gz UHQFUURZQWXCPU-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCC2)C3)CCC1 ZINC001040237584 1316158686 /nfs/dbraw/zinc/15/86/86/1316158686.db2.gz UHQFUURZQWXCPU-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1C[C@H]2C[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C[C@@H]2C1 ZINC001258527221 1316159813 /nfs/dbraw/zinc/15/98/13/1316159813.db2.gz OONMALRIUXYGSZ-IRXDYDNUSA-N 1 3 336.520 2.972 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001040241854 1316162018 /nfs/dbraw/zinc/16/20/18/1316162018.db2.gz UIOUHBJHAHIFOS-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001040241854 1316162019 /nfs/dbraw/zinc/16/20/19/1316162019.db2.gz UIOUHBJHAHIFOS-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251440 1316166001 /nfs/dbraw/zinc/16/60/01/1316166001.db2.gz YOSSVMBWVJWIAB-AZUAARDMSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251440 1316166002 /nfs/dbraw/zinc/16/60/02/1316166002.db2.gz YOSSVMBWVJWIAB-AZUAARDMSA-N 1 3 335.536 2.853 20 0 EFADHO CCC[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001258772874 1316176657 /nfs/dbraw/zinc/17/66/57/1316176657.db2.gz ZOHUJOMGDJHRMX-RDJZCZTQSA-N 1 3 337.508 2.802 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC001258777943 1316177994 /nfs/dbraw/zinc/17/79/94/1316177994.db2.gz OLHYQWKUEWFXQY-MOPGFXCFSA-N 1 3 330.472 2.749 20 0 EFADHO CCC[NH+]1CCC(N2C[C@@H](c3ccccc3)[C@H](C(=O)OC)C2)CC1 ZINC001258777945 1316178017 /nfs/dbraw/zinc/17/80/17/1316178017.db2.gz OLHYQWKUEWFXQY-RBUKOAKNSA-N 1 3 330.472 2.749 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258855397 1316184957 /nfs/dbraw/zinc/18/49/57/1316184957.db2.gz AAVCUYPBTDZRJW-HOCLYGCPSA-N 1 3 336.476 2.717 20 0 EFADHO CCN(CCC[NH+](C)C)[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258878682 1316187955 /nfs/dbraw/zinc/18/79/55/1316187955.db2.gz XMPGBAPQPMAEGP-HNNXBMFYSA-N 1 3 338.492 2.917 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929326 1316230593 /nfs/dbraw/zinc/23/05/93/1316230593.db2.gz FBULIECVFVTVRE-LRDDRELGSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929326 1316230595 /nfs/dbraw/zinc/23/05/95/1316230595.db2.gz FBULIECVFVTVRE-LRDDRELGSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929326 1316230597 /nfs/dbraw/zinc/23/05/97/1316230597.db2.gz FBULIECVFVTVRE-LRDDRELGSA-N 1 3 328.378 2.813 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040379631 1316230668 /nfs/dbraw/zinc/23/06/68/1316230668.db2.gz LSWABROGBDWDKN-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040379631 1316230669 /nfs/dbraw/zinc/23/06/69/1316230669.db2.gz LSWABROGBDWDKN-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)C1 ZINC001040392425 1316239529 /nfs/dbraw/zinc/23/95/29/1316239529.db2.gz UFSVMEINCPJHOP-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CC2)C3)C1 ZINC001040392425 1316239532 /nfs/dbraw/zinc/23/95/32/1316239532.db2.gz UFSVMEINCPJHOP-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394625 1316241174 /nfs/dbraw/zinc/24/11/74/1316241174.db2.gz KHGZPAGRXJPPIF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394625 1316241176 /nfs/dbraw/zinc/24/11/76/1316241176.db2.gz KHGZPAGRXJPPIF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001040422788 1316255996 /nfs/dbraw/zinc/25/59/96/1316255996.db2.gz OYBORHRUUAPWLR-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001040422788 1316255998 /nfs/dbraw/zinc/25/59/98/1316255998.db2.gz OYBORHRUUAPWLR-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137438 1316299068 /nfs/dbraw/zinc/29/90/68/1316299068.db2.gz FJDOHWBETVCHCV-QRVBRYPASA-N 1 3 333.520 2.795 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530817 1316310411 /nfs/dbraw/zinc/31/04/11/1316310411.db2.gz JOKXKPPJPGUJIP-PKOBYXMFSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530817 1316310414 /nfs/dbraw/zinc/31/04/14/1316310414.db2.gz JOKXKPPJPGUJIP-PKOBYXMFSA-N 1 3 347.528 2.514 20 0 EFADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040544795 1316315777 /nfs/dbraw/zinc/31/57/77/1316315777.db2.gz JLQDICMMVHYMAB-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040544795 1316315780 /nfs/dbraw/zinc/31/57/80/1316315780.db2.gz JLQDICMMVHYMAB-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040545817 1316317532 /nfs/dbraw/zinc/31/75/32/1316317532.db2.gz VDJUCFQBQAKWQP-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040545817 1316317535 /nfs/dbraw/zinc/31/75/35/1316317535.db2.gz VDJUCFQBQAKWQP-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727435 1316361322 /nfs/dbraw/zinc/36/13/22/1316361322.db2.gz RBAQBIUGJSZBCS-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](CC2CCC2)CC3)CCC1 ZINC001040727947 1316361515 /nfs/dbraw/zinc/36/15/15/1316361515.db2.gz WKBPTJXAALNPSV-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C)cc1 ZINC001072369534 1316378300 /nfs/dbraw/zinc/37/83/00/1316378300.db2.gz RLFQPMYVGKWXFM-FUHWJXTLSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040847875 1316388149 /nfs/dbraw/zinc/38/81/49/1316388149.db2.gz BHNFDLZABGQERY-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849729 1316388631 /nfs/dbraw/zinc/38/86/31/1316388631.db2.gz VMHLLEBQGVSGIX-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849064 1316389085 /nfs/dbraw/zinc/38/90/85/1316389085.db2.gz OHXBPJWTBXRDHJ-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040848137 1316389104 /nfs/dbraw/zinc/38/91/04/1316389104.db2.gz DXGKQWVROKIJPO-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040894720 1316399678 /nfs/dbraw/zinc/39/96/78/1316399678.db2.gz NSOYWSPORYPVLX-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040948361 1316409503 /nfs/dbraw/zinc/40/95/03/1316409503.db2.gz PLWUESXOVMHQBD-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040948367 1316409552 /nfs/dbraw/zinc/40/95/52/1316409552.db2.gz PLWUESXOVMHQBD-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1C)C2)N(C)C ZINC001072991360 1316427407 /nfs/dbraw/zinc/42/74/07/1316427407.db2.gz SVRIOXFEFQAARW-HKUYNNGSSA-N 1 3 343.515 2.931 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1C)C2)N(C)C ZINC001072991360 1316427410 /nfs/dbraw/zinc/42/74/10/1316427410.db2.gz SVRIOXFEFQAARW-HKUYNNGSSA-N 1 3 343.515 2.931 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C[C@H]3c3ccccc3)C[C@@H]2C1 ZINC001262482856 1316468980 /nfs/dbraw/zinc/46/89/80/1316468980.db2.gz OHBZTIJEYZAAJP-HCXYKTFWSA-N 1 3 327.472 2.580 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001073970339 1316485186 /nfs/dbraw/zinc/48/51/86/1316485186.db2.gz KPADFYZIHSKQEE-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001073970339 1316485188 /nfs/dbraw/zinc/48/51/88/1316485188.db2.gz KPADFYZIHSKQEE-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074564980 1316525077 /nfs/dbraw/zinc/52/50/77/1316525077.db2.gz MKRKMZIKGDFVCH-JCGIZDLHSA-N 1 3 349.906 2.822 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)[C@H]1CCCN1C ZINC001074565060 1316525148 /nfs/dbraw/zinc/52/51/48/1316525148.db2.gz QQXFGRQIHMXOMB-JCGIZDLHSA-N 1 3 349.906 2.556 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074564748 1316525338 /nfs/dbraw/zinc/52/53/38/1316525338.db2.gz AHVXKJXNBQHJCX-RYQLBKOJSA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358384 1316526853 /nfs/dbraw/zinc/52/68/53/1316526853.db2.gz NMAJQPGNRJVTKC-WIYYLYMNSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358384 1316526856 /nfs/dbraw/zinc/52/68/56/1316526856.db2.gz NMAJQPGNRJVTKC-WIYYLYMNSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360526 1316527903 /nfs/dbraw/zinc/52/79/03/1316527903.db2.gz YZGZAVTXWYDLEV-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360526 1316527906 /nfs/dbraw/zinc/52/79/06/1316527906.db2.gz YZGZAVTXWYDLEV-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)c(C)s1 ZINC001074878392 1316539322 /nfs/dbraw/zinc/53/93/22/1316539322.db2.gz ROABGLKOLZNEML-YEWWUXTCSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001074878008 1316539378 /nfs/dbraw/zinc/53/93/78/1316539378.db2.gz VZODZNHKKZOIIC-GJYPPUQNSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC4(CC4)CC3)[C@@H]2C)C1 ZINC001074878479 1316539391 /nfs/dbraw/zinc/53/93/91/1316539391.db2.gz ZBALYYURCZJVOF-AOIWGVFYSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567762 1316557668 /nfs/dbraw/zinc/55/76/68/1316557668.db2.gz GOXTYRVGFICTAU-CQSZACIVSA-N 1 3 337.895 2.585 20 0 EFADHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537263 1316580959 /nfs/dbraw/zinc/58/09/59/1316580959.db2.gz URCREBNCOBSWBE-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041644492 1316632660 /nfs/dbraw/zinc/63/26/60/1316632660.db2.gz DOWKJWVGHKINOC-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041644492 1316632662 /nfs/dbraw/zinc/63/26/62/1316632662.db2.gz DOWKJWVGHKINOC-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001041672356 1316643570 /nfs/dbraw/zinc/64/35/70/1316643570.db2.gz BICMAZVKCKQMLC-NQIIRXRSSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001041672356 1316643572 /nfs/dbraw/zinc/64/35/72/1316643572.db2.gz BICMAZVKCKQMLC-NQIIRXRSSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001041676195 1316645066 /nfs/dbraw/zinc/64/50/66/1316645066.db2.gz WAROYOVWGJIEFN-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001041676195 1316645068 /nfs/dbraw/zinc/64/50/68/1316645068.db2.gz WAROYOVWGJIEFN-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041676651 1316645517 /nfs/dbraw/zinc/64/55/17/1316645517.db2.gz YXOJSPRHSDYVGH-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041676651 1316645518 /nfs/dbraw/zinc/64/55/18/1316645518.db2.gz YXOJSPRHSDYVGH-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677690 1316645923 /nfs/dbraw/zinc/64/59/23/1316645923.db2.gz DWNSDUARELGWSM-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677690 1316645925 /nfs/dbraw/zinc/64/59/25/1316645925.db2.gz DWNSDUARELGWSM-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041681041 1316646766 /nfs/dbraw/zinc/64/67/66/1316646766.db2.gz WUTVYEMIENNXGP-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041681041 1316646769 /nfs/dbraw/zinc/64/67/69/1316646769.db2.gz WUTVYEMIENNXGP-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681223 1316647238 /nfs/dbraw/zinc/64/72/38/1316647238.db2.gz ZGEBKXSLQZKUGV-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681223 1316647240 /nfs/dbraw/zinc/64/72/40/1316647240.db2.gz ZGEBKXSLQZKUGV-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041685996 1316647720 /nfs/dbraw/zinc/64/77/20/1316647720.db2.gz KIOHJSZMMUHAHM-HKUYNNGSSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041685996 1316647721 /nfs/dbraw/zinc/64/77/21/1316647721.db2.gz KIOHJSZMMUHAHM-HKUYNNGSSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041688858 1316648798 /nfs/dbraw/zinc/64/87/98/1316648798.db2.gz XTEUNLWYBQPQGQ-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041688858 1316648800 /nfs/dbraw/zinc/64/88/00/1316648800.db2.gz XTEUNLWYBQPQGQ-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+](CCCF)C3)C2)c1 ZINC001041842871 1316729210 /nfs/dbraw/zinc/72/92/10/1316729210.db2.gz IWZRCXMGWZYBJZ-FQEVSTJZSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](CCCF)C3)C2)c1 ZINC001041842871 1316729211 /nfs/dbraw/zinc/72/92/11/1316729211.db2.gz IWZRCXMGWZYBJZ-FQEVSTJZSA-N 1 3 347.478 2.646 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041844651 1316730939 /nfs/dbraw/zinc/73/09/39/1316730939.db2.gz BWOZOCNMQPWZKT-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041844651 1316730940 /nfs/dbraw/zinc/73/09/40/1316730940.db2.gz BWOZOCNMQPWZKT-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845356 1316731204 /nfs/dbraw/zinc/73/12/04/1316731204.db2.gz XDIQKCOCUAUXMA-NRFANRHFSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041845356 1316731206 /nfs/dbraw/zinc/73/12/06/1316731206.db2.gz XDIQKCOCUAUXMA-NRFANRHFSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041845672 1316732393 /nfs/dbraw/zinc/73/23/93/1316732393.db2.gz MUBSXDDZNCBFCL-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041845672 1316732394 /nfs/dbraw/zinc/73/23/94/1316732394.db2.gz MUBSXDDZNCBFCL-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042061664 1316851559 /nfs/dbraw/zinc/85/15/59/1316851559.db2.gz HUSHGDQDWBDRLK-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042061664 1316851562 /nfs/dbraw/zinc/85/15/62/1316851562.db2.gz HUSHGDQDWBDRLK-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042061505 1316851682 /nfs/dbraw/zinc/85/16/82/1316851682.db2.gz GPBDTXSGEAERDA-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042061505 1316851685 /nfs/dbraw/zinc/85/16/85/1316851685.db2.gz GPBDTXSGEAERDA-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042061663 1316851805 /nfs/dbraw/zinc/85/18/05/1316851805.db2.gz HUSHGDQDWBDRLK-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042061663 1316851807 /nfs/dbraw/zinc/85/18/07/1316851807.db2.gz HUSHGDQDWBDRLK-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@@H]2C1)N1CCCCC1 ZINC001042061911 1316851840 /nfs/dbraw/zinc/85/18/40/1316851840.db2.gz JFLGGAUFMZUIOM-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@@H]2C1)N1CCCCC1 ZINC001042061911 1316851841 /nfs/dbraw/zinc/85/18/41/1316851841.db2.gz JFLGGAUFMZUIOM-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042061503 1316851937 /nfs/dbraw/zinc/85/19/37/1316851937.db2.gz GPBDTXSGEAERDA-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042061503 1316851939 /nfs/dbraw/zinc/85/19/39/1316851939.db2.gz GPBDTXSGEAERDA-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001042062549 1316852721 /nfs/dbraw/zinc/85/27/21/1316852721.db2.gz MTSYJTABAXDZRZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001042062549 1316852723 /nfs/dbraw/zinc/85/27/23/1316852723.db2.gz MTSYJTABAXDZRZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042062524 1316852830 /nfs/dbraw/zinc/85/28/30/1316852830.db2.gz MPTDSDSGZQBOLN-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042062524 1316852833 /nfs/dbraw/zinc/85/28/33/1316852833.db2.gz MPTDSDSGZQBOLN-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042186569 1316939704 /nfs/dbraw/zinc/93/97/04/1316939704.db2.gz IDQBISYQHAWISJ-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042186569 1316939707 /nfs/dbraw/zinc/93/97/07/1316939707.db2.gz IDQBISYQHAWISJ-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)c1c[nH]cn1 ZINC001042313897 1317136887 /nfs/dbraw/zinc/13/68/87/1317136887.db2.gz KWJKXTXOIMGXQR-IRXDYDNUSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)c1c[nH]cn1 ZINC001042313897 1317136888 /nfs/dbraw/zinc/13/68/88/1317136888.db2.gz KWJKXTXOIMGXQR-IRXDYDNUSA-N 1 3 344.503 2.800 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@@H]2C1 ZINC001042367687 1317222951 /nfs/dbraw/zinc/22/29/51/1317222951.db2.gz KFVLEROKFRLAPQ-VQIMIIECSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@@H]2C1 ZINC001042367687 1317222959 /nfs/dbraw/zinc/22/29/59/1317222959.db2.gz KFVLEROKFRLAPQ-VQIMIIECSA-N 1 3 347.478 2.644 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001318822848 1328711354 /nfs/dbraw/zinc/71/13/54/1328711354.db2.gz USQRTQSHMHKTJE-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001403545533 1364748697 /nfs/dbraw/zinc/74/86/97/1364748697.db2.gz AWIISXDWTWEIPD-LBPRGKRZSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001440319660 1389531501 /nfs/dbraw/zinc/53/15/01/1389531501.db2.gz LZLSZLCWMVJSKX-BETUJISGSA-N 1 3 343.924 2.728 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C2)CCC1 ZINC001491874565 1323977829 /nfs/dbraw/zinc/97/78/29/1323977829.db2.gz OUTANOJIWWYAGT-HVDISPMTSA-N 1 3 348.318 2.807 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001492114862 1324219240 /nfs/dbraw/zinc/21/92/40/1324219240.db2.gz KNIIXHVPJVXNMM-KDOFPFPSSA-N 1 3 340.471 2.823 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC001380991006 1348010295 /nfs/dbraw/zinc/01/02/95/1348010295.db2.gz STPPQNIEOLYDLU-ZWKOTPCHSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CCCN(CCF)C2)C1 ZINC001380991006 1348010298 /nfs/dbraw/zinc/01/02/98/1348010298.db2.gz STPPQNIEOLYDLU-ZWKOTPCHSA-N 1 3 341.515 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001326365971 1329750565 /nfs/dbraw/zinc/75/05/65/1329750565.db2.gz XREQDQFOSVLWEC-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C3CCCCC3)cc2)CC1 ZINC001326369115 1329750844 /nfs/dbraw/zinc/75/08/44/1329750844.db2.gz CGBWRWOXXWAIPW-IBGZPJMESA-N 1 3 344.503 2.675 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001382313739 1348861921 /nfs/dbraw/zinc/86/19/21/1348861921.db2.gz LRLLKAYHVOBCSY-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001382579605 1349030434 /nfs/dbraw/zinc/03/04/34/1349030434.db2.gz ANSMCFFDKYRPGH-DQPZFDDXSA-N 1 3 337.895 2.759 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC001326751265 1330359182 /nfs/dbraw/zinc/35/91/82/1330359182.db2.gz UENBBTBNTSPFDZ-ICSRJNTNSA-N 1 3 344.503 2.675 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001337270214 1331555991 /nfs/dbraw/zinc/55/59/91/1331555991.db2.gz YZSUYOJQZOUYCN-HNAYVOBHSA-N 1 3 326.488 2.574 20 0 EFADHO Cc1sc(CC[NH2+]C[C@H](O)CN2CCCC2)nc1-c1ccccc1 ZINC001338492945 1331711544 /nfs/dbraw/zinc/71/15/44/1331711544.db2.gz XIBWUZNFHRRQIP-KRWDZBQOSA-N 1 3 345.512 2.707 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001340111549 1332140668 /nfs/dbraw/zinc/14/06/68/1332140668.db2.gz DQJXEXNOIHIUEB-MAUKXSAKSA-N 1 3 332.492 2.531 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001340111549 1332140670 /nfs/dbraw/zinc/14/06/70/1332140670.db2.gz DQJXEXNOIHIUEB-MAUKXSAKSA-N 1 3 332.492 2.531 20 0 EFADHO CN(C)CC1(C[NH2+]Cc2cn(C)nc2-c2ccncc2)CCCC1 ZINC001414092799 1332371474 /nfs/dbraw/zinc/37/14/74/1332371474.db2.gz UHOHZDAVQMWCCH-UHFFFAOYSA-N 1 3 327.476 2.694 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001479891560 1332781145 /nfs/dbraw/zinc/78/11/45/1332781145.db2.gz WBLSZPCGGQYVLM-YRNVUSSQSA-N 1 3 343.515 2.964 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001001912681 1333721484 /nfs/dbraw/zinc/72/14/84/1333721484.db2.gz YCKBJNOKCHYORF-VWTAQGJOSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001001912681 1333721492 /nfs/dbraw/zinc/72/14/92/1333721492.db2.gz YCKBJNOKCHYORF-VWTAQGJOSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1)N1CCCC1 ZINC001100562208 1334293119 /nfs/dbraw/zinc/29/31/19/1334293119.db2.gz DVTHEWXRAPUOHS-UHFFFAOYSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001100562546 1334293811 /nfs/dbraw/zinc/29/38/11/1334293811.db2.gz QSMFVVGNUOADSN-UHFFFAOYSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647185 1334481564 /nfs/dbraw/zinc/48/15/64/1334481564.db2.gz HVTVOEDRQODQPR-NKELODKYSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100647092 1334481770 /nfs/dbraw/zinc/48/17/70/1334481770.db2.gz CAZMWXZAQHQPRN-XUJQIHCRSA-N 1 3 349.494 2.705 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001100673916 1334545625 /nfs/dbraw/zinc/54/56/25/1334545625.db2.gz FDESCQCOPQOFGH-KKXNLOMOSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001100676373 1334550396 /nfs/dbraw/zinc/55/03/96/1334550396.db2.gz MKYTTYHMGMPBDH-KKXNLOMOSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCCCCC2)C1 ZINC001100676797 1334552174 /nfs/dbraw/zinc/55/21/74/1334552174.db2.gz SNDOCMVMQZSBJA-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001100676987 1334552690 /nfs/dbraw/zinc/55/26/90/1334552690.db2.gz VPGZITCQKNUQNU-PBPGXSGUSA-N 1 3 343.515 2.718 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001100678153 1334555873 /nfs/dbraw/zinc/55/58/73/1334555873.db2.gz ALDIRCHAEQNIEM-DZIBYMRMSA-N 1 3 343.515 2.575 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678596 1334556758 /nfs/dbraw/zinc/55/67/58/1334556758.db2.gz QFYQKIOPPRHULO-ZRZPHAQCSA-N 1 3 343.515 2.575 20 0 EFADHO CC1(C)CCN(CC(=O)NCC2CC([NH2+]Cc3ccccc3F)C2)C1 ZINC001100681042 1334562968 /nfs/dbraw/zinc/56/29/68/1334562968.db2.gz SRPUVYRWSCYJKX-UHFFFAOYSA-N 1 3 347.478 2.542 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001100683600 1334569157 /nfs/dbraw/zinc/56/91/57/1334569157.db2.gz JOKYMAXACUDOSN-PREGVCBESA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001100683684 1334569407 /nfs/dbraw/zinc/56/94/07/1334569407.db2.gz NGLPCQSGDWXVDG-KVZIAJEVSA-N 1 3 349.494 2.583 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000848300647 1334599127 /nfs/dbraw/zinc/59/91/27/1334599127.db2.gz SDHIJAIKUUQGFM-UHFFFAOYSA-N 1 3 331.504 2.737 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CCCO1 ZINC001200850124 1334668827 /nfs/dbraw/zinc/66/88/27/1334668827.db2.gz DHXUUTNHGZQMPS-QGZVFWFLSA-N 1 3 341.540 2.504 20 0 EFADHO C[C@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)N1CCCCCC1 ZINC001100731635 1334690168 /nfs/dbraw/zinc/69/01/68/1334690168.db2.gz DDZRQIGHDDERHN-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001356055092 1334942611 /nfs/dbraw/zinc/94/26/11/1334942611.db2.gz AIDLLJDVNBPNSE-YDZRNGNQSA-N 1 3 333.520 2.645 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000849000920 1335033157 /nfs/dbraw/zinc/03/31/57/1335033157.db2.gz HWHOJXFYDJBKDQ-OXQOHEQNSA-N 1 3 346.519 2.862 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N(C)C ZINC001356594739 1335059814 /nfs/dbraw/zinc/05/98/14/1335059814.db2.gz FRNDIDKFRWERLM-WCQYABFASA-N 1 3 335.275 2.663 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1OC ZINC000849066595 1335067037 /nfs/dbraw/zinc/06/70/37/1335067037.db2.gz HSDKONVRXODVGL-OAHLLOKOSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1noc(C)c1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849068439 1335068499 /nfs/dbraw/zinc/06/84/99/1335068499.db2.gz HMSPMIDDCUKRHH-UHFFFAOYSA-N 1 3 341.459 2.570 20 0 EFADHO [NH2+]=C(NCC[C@H]1CCCCO1)NC1CCN(Cc2ccccc2)CC1 ZINC000849078474 1335070893 /nfs/dbraw/zinc/07/08/93/1335070893.db2.gz XXCMRGOMFYYOFB-LJQANCHMSA-N 1 3 344.503 2.724 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1ccc(Cl)cc1 ZINC000849087630 1335072769 /nfs/dbraw/zinc/07/27/69/1335072769.db2.gz GLAZONIJHXRZLQ-HOTGVXAUSA-N 1 3 338.883 2.626 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc2ccccc2s1 ZINC000849088065 1335073270 /nfs/dbraw/zinc/07/32/70/1335073270.db2.gz SODVRAQMZQHRKL-CABCVRRESA-N 1 3 346.500 2.533 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000849106857 1335552830 /nfs/dbraw/zinc/55/28/30/1335552830.db2.gz OKIJXLPNQDXJAR-HZSPNIEDSA-N 1 3 334.430 2.953 20 0 EFADHO CCOC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849106430 1335553037 /nfs/dbraw/zinc/55/30/37/1335553037.db2.gz OJHRZXKPBGHWNN-UHFFFAOYSA-N 1 3 332.492 2.580 20 0 EFADHO CC(C)c1cccc(NC(=[NH2+])NCCN2CCN(C)C(C)(C)C2)c1 ZINC000849108094 1335553044 /nfs/dbraw/zinc/55/30/44/1335553044.db2.gz AGJWGCBVOJQDAL-UHFFFAOYSA-N 1 3 331.508 2.772 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCOc1cccc(C)c1C ZINC000849110995 1335553451 /nfs/dbraw/zinc/55/34/51/1335553451.db2.gz TVQRRZNTHQLVJC-QGZVFWFLSA-N 1 3 332.492 2.671 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)c(F)c1 ZINC000849112655 1335554271 /nfs/dbraw/zinc/55/42/71/1335554271.db2.gz APWMRYDXZPTMAB-LBPRGKRZSA-N 1 3 344.381 2.525 20 0 EFADHO CCC[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113726 1335554501 /nfs/dbraw/zinc/55/45/01/1335554501.db2.gz RLWWEVJACOOODF-GOSISDBHSA-N 1 3 332.492 2.580 20 0 EFADHO C[C@@H]1C[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000849117421 1335555836 /nfs/dbraw/zinc/55/58/36/1335555836.db2.gz DTTXBJFOCRBCMO-JFIYKMOQSA-N 1 3 344.503 2.578 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000849117422 1335556044 /nfs/dbraw/zinc/55/60/44/1335556044.db2.gz DTTXBJFOCRBCMO-NUJGCVRESA-N 1 3 344.503 2.578 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001362064287 1336486121 /nfs/dbraw/zinc/48/61/21/1336486121.db2.gz JQBRFJUIALKPPY-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001362064287 1336486123 /nfs/dbraw/zinc/48/61/23/1336486123.db2.gz JQBRFJUIALKPPY-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109953 1336507396 /nfs/dbraw/zinc/50/73/96/1336507396.db2.gz MSVRZDZGEDHZKT-IHPCNDPISA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109953 1336507398 /nfs/dbraw/zinc/50/73/98/1336507398.db2.gz MSVRZDZGEDHZKT-IHPCNDPISA-N 1 3 343.515 2.886 20 0 EFADHO CN(C)C1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCC1 ZINC001362135153 1336518169 /nfs/dbraw/zinc/51/81/69/1336518169.db2.gz DXSLDUCHKKYBKN-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC1 ZINC001362135153 1336518171 /nfs/dbraw/zinc/51/81/71/1336518171.db2.gz DXSLDUCHKKYBKN-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183399 1336542562 /nfs/dbraw/zinc/54/25/62/1336542562.db2.gz FVKDSXODLINEJH-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183399 1336542564 /nfs/dbraw/zinc/54/25/64/1336542564.db2.gz FVKDSXODLINEJH-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362494069 1336632277 /nfs/dbraw/zinc/63/22/77/1336632277.db2.gz AMKSZIRMYSDEQB-YSIASYRMSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362494069 1336632281 /nfs/dbraw/zinc/63/22/81/1336632281.db2.gz AMKSZIRMYSDEQB-YSIASYRMSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)NCC1CCCCC1 ZINC001363315268 1336871243 /nfs/dbraw/zinc/87/12/43/1336871243.db2.gz HJAUGKDNNTYKLC-QGZVFWFLSA-N 1 3 344.503 2.679 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(C)nc1C1CCCCC1 ZINC001363362696 1336893400 /nfs/dbraw/zinc/89/34/00/1336893400.db2.gz KKQSTGDDWMQVRQ-SFHVURJKSA-N 1 3 336.524 2.914 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001363712597 1337007036 /nfs/dbraw/zinc/00/70/36/1337007036.db2.gz FGPGJNVEWNVPJM-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001363712597 1337007040 /nfs/dbraw/zinc/00/70/40/1337007040.db2.gz FGPGJNVEWNVPJM-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCS1 ZINC001365272939 1337218247 /nfs/dbraw/zinc/21/82/47/1337218247.db2.gz YWDSUADXIBCBDE-MOPGFXCFSA-N 1 3 334.529 2.697 20 0 EFADHO CC(C)[C@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCS1 ZINC001365272939 1337218249 /nfs/dbraw/zinc/21/82/49/1337218249.db2.gz YWDSUADXIBCBDE-MOPGFXCFSA-N 1 3 334.529 2.697 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001365994496 1337308825 /nfs/dbraw/zinc/30/88/25/1337308825.db2.gz IVXMKLJPQUOIOY-FQEVSTJZSA-N 1 3 339.483 2.872 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001365994496 1337308827 /nfs/dbraw/zinc/30/88/27/1337308827.db2.gz IVXMKLJPQUOIOY-FQEVSTJZSA-N 1 3 339.483 2.872 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001366002410 1337314423 /nfs/dbraw/zinc/31/44/23/1337314423.db2.gz HYRBORWBYMMGEP-IBGZPJMESA-N 1 3 347.478 2.723 20 0 EFADHO C[C@@H](N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001366048792 1337346424 /nfs/dbraw/zinc/34/64/24/1337346424.db2.gz JOZQWJJICIVNML-KDOFPFPSSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc2ccccc2o1)C1CC1)N(C)C ZINC001366062296 1337355824 /nfs/dbraw/zinc/35/58/24/1337355824.db2.gz MMKNLSWTZNPIEE-ROUUACIJSA-N 1 3 343.471 2.757 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366071839 1337364004 /nfs/dbraw/zinc/36/40/04/1337364004.db2.gz HLDCZKIBJLMZPL-KRWDZBQOSA-N 1 3 335.467 2.502 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001366072431 1337364684 /nfs/dbraw/zinc/36/46/84/1337364684.db2.gz XLPLRRTWQTXYOF-GOSISDBHSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366190740 1337430104 /nfs/dbraw/zinc/43/01/04/1337430104.db2.gz XNPDANJIXDUCCJ-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366190740 1337430106 /nfs/dbraw/zinc/43/01/06/1337430106.db2.gz XNPDANJIXDUCCJ-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001366221093 1337454488 /nfs/dbraw/zinc/45/44/88/1337454488.db2.gz RCBSXYLJIPUNQC-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]CC=C(Cl)Cl)CC2)CCC1 ZINC001366241520 1337472519 /nfs/dbraw/zinc/47/25/19/1337472519.db2.gz FYSWQUYQLVPSSE-UHFFFAOYSA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001366326205 1337514157 /nfs/dbraw/zinc/51/41/57/1337514157.db2.gz PCKXRYLIINNECV-DOMZBBRYSA-N 1 3 327.419 2.559 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001366331759 1337517295 /nfs/dbraw/zinc/51/72/95/1337517295.db2.gz IBJATLVJGKBQPR-ZDUSSCGKSA-N 1 3 341.446 2.537 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001366480291 1337621972 /nfs/dbraw/zinc/62/19/72/1337621972.db2.gz BOBFBLYGXLJRLG-AAEUAGOBSA-N 1 3 331.913 2.726 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001366490472 1337631380 /nfs/dbraw/zinc/63/13/80/1337631380.db2.gz SKHHORMVPUJGRC-PKOBYXMFSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001366491432 1337631940 /nfs/dbraw/zinc/63/19/40/1337631940.db2.gz XWLDHRFGKNOPOW-QGZVFWFLSA-N 1 3 333.520 2.957 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366536829 1337672455 /nfs/dbraw/zinc/67/24/55/1337672455.db2.gz LYEAHVSYPQWNKR-KRWDZBQOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366536829 1337672458 /nfs/dbraw/zinc/67/24/58/1337672458.db2.gz LYEAHVSYPQWNKR-KRWDZBQOSA-N 1 3 335.467 2.809 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366702960 1337892722 /nfs/dbraw/zinc/89/27/22/1337892722.db2.gz FLBXLBKQGQJTGB-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366702960 1337892725 /nfs/dbraw/zinc/89/27/25/1337892725.db2.gz FLBXLBKQGQJTGB-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001366755991 1337973639 /nfs/dbraw/zinc/97/36/39/1337973639.db2.gz NHNKSWRCXLRXPM-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001366755991 1337973643 /nfs/dbraw/zinc/97/36/43/1337973643.db2.gz NHNKSWRCXLRXPM-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001366779409 1337997727 /nfs/dbraw/zinc/99/77/27/1337997727.db2.gz XBZKSEOZIFKDKM-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366856800 1338123762 /nfs/dbraw/zinc/12/37/62/1338123762.db2.gz YEWQXOXTVGDLSC-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366856800 1338123763 /nfs/dbraw/zinc/12/37/63/1338123763.db2.gz YEWQXOXTVGDLSC-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001366867613 1338137668 /nfs/dbraw/zinc/13/76/68/1338137668.db2.gz RAIDPUCSZOYKMQ-UXHICEINSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001366867613 1338137675 /nfs/dbraw/zinc/13/76/75/1338137675.db2.gz RAIDPUCSZOYKMQ-UXHICEINSA-N 1 3 345.531 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC001366881772 1338160050 /nfs/dbraw/zinc/16/00/50/1338160050.db2.gz JWAQDLRULDFAIM-LJQANCHMSA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001366881772 1338160054 /nfs/dbraw/zinc/16/00/54/1338160054.db2.gz JWAQDLRULDFAIM-LJQANCHMSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001366894923 1338178425 /nfs/dbraw/zinc/17/84/25/1338178425.db2.gz SZNJTUWUDSXYIN-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CCc1ccc(CCN2CCC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001366912207 1338197511 /nfs/dbraw/zinc/19/75/11/1338197511.db2.gz QTDMLGJUDCPSKD-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccc(CCN2CCC[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001366912207 1338197515 /nfs/dbraw/zinc/19/75/15/1338197515.db2.gz QTDMLGJUDCPSKD-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO Cc1ccc(CCC[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367009573 1338265954 /nfs/dbraw/zinc/26/59/54/1338265954.db2.gz VKLCNUVSRYJRBR-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367009573 1338265957 /nfs/dbraw/zinc/26/59/57/1338265957.db2.gz VKLCNUVSRYJRBR-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001367039069 1338299199 /nfs/dbraw/zinc/29/91/99/1338299199.db2.gz ORAMJHUUUJZRNI-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001367056067 1338323684 /nfs/dbraw/zinc/32/36/84/1338323684.db2.gz FKRNTONBIMEICW-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1c(C)cccc1C ZINC001367099674 1338385710 /nfs/dbraw/zinc/38/57/10/1338385710.db2.gz HSGNDXPZUXUSKM-MJGOQNOKSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001367103599 1338390665 /nfs/dbraw/zinc/39/06/65/1338390665.db2.gz RVSARLQJXXFEEV-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001367136611 1338428001 /nfs/dbraw/zinc/42/80/01/1338428001.db2.gz VENCJLMGBWUJSM-AEFFLSMTSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccc(Cl)cc1 ZINC001367139377 1338431663 /nfs/dbraw/zinc/43/16/63/1338431663.db2.gz VTGJVLOLCLWWML-INIZCTEOSA-N 1 3 348.878 2.641 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cc(F)ccc2C)CCCC1)N(C)C ZINC001367162301 1338461426 /nfs/dbraw/zinc/46/14/26/1338461426.db2.gz BYZDJBNWZCDSMT-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(OC)c2)CCCC1)N(C)C ZINC001367165005 1338464757 /nfs/dbraw/zinc/46/47/57/1338464757.db2.gz WFFISESBEFNMBC-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CC=C(Cl)Cl)CC2)CCC1 ZINC001367183369 1338486338 /nfs/dbraw/zinc/48/63/38/1338486338.db2.gz FYSWQUYQLVPSSE-JOCQHMNTSA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001367187276 1338490474 /nfs/dbraw/zinc/49/04/74/1338490474.db2.gz XNPZUHNKERIFOW-HKUYNNGSSA-N 1 3 335.467 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)CC1)N(C)C ZINC001367201531 1338508495 /nfs/dbraw/zinc/50/84/95/1338508495.db2.gz YAMBJKHYHKJIPE-LNLFQRSKSA-N 1 3 347.503 2.552 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001367261842 1338561386 /nfs/dbraw/zinc/56/13/86/1338561386.db2.gz OURCBFYEWOVCCV-NVXWUHKLSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367278955 1338579520 /nfs/dbraw/zinc/57/95/20/1338579520.db2.gz UWQNDLJNACNLEA-VQIMIIECSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCc2cccs2)CCCC1 ZINC001367323529 1338621611 /nfs/dbraw/zinc/62/16/11/1338621611.db2.gz IMXSMLYJIAPDDJ-UHFFFAOYSA-N 1 3 346.500 2.583 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CCc2cccs2)CCCC1)N(C)C ZINC001367324254 1338621882 /nfs/dbraw/zinc/62/18/82/1338621882.db2.gz RCFVJTCYSVPNBD-MRXNPFEDSA-N 1 3 337.533 2.649 20 0 EFADHO C[C@H](CNCc1sccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001367382593 1338678624 /nfs/dbraw/zinc/67/86/24/1338678624.db2.gz JUIIUPMOZMFPSR-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCC(F)(F)F)CC1 ZINC001367447417 1338750462 /nfs/dbraw/zinc/75/04/62/1338750462.db2.gz VHOFZCGINBNWDY-OAHLLOKOSA-N 1 3 349.441 2.594 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCC(F)(F)F)CC1 ZINC001367447417 1338750464 /nfs/dbraw/zinc/75/04/64/1338750464.db2.gz VHOFZCGINBNWDY-OAHLLOKOSA-N 1 3 349.441 2.594 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)cc1 ZINC001367496326 1338795755 /nfs/dbraw/zinc/79/57/55/1338795755.db2.gz VMPIETPAUGRHLA-MOPGFXCFSA-N 1 3 333.520 2.812 20 0 EFADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001367548497 1338857699 /nfs/dbraw/zinc/85/76/99/1338857699.db2.gz VXJDKBKLPWQPQS-IBGZPJMESA-N 1 3 333.520 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001367552239 1338863165 /nfs/dbraw/zinc/86/31/65/1338863165.db2.gz DTGXPPRZSQUIKJ-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001367552239 1338863168 /nfs/dbraw/zinc/86/31/68/1338863168.db2.gz DTGXPPRZSQUIKJ-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001367552237 1338863264 /nfs/dbraw/zinc/86/32/64/1338863264.db2.gz DTGXPPRZSQUIKJ-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001367552237 1338863265 /nfs/dbraw/zinc/86/32/65/1338863265.db2.gz DTGXPPRZSQUIKJ-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001367638123 1338893614 /nfs/dbraw/zinc/89/36/14/1338893614.db2.gz LRGVQMRUBWHAQS-AUUYWEPGSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001367644345 1338899608 /nfs/dbraw/zinc/89/96/08/1338899608.db2.gz LHAMDHIJBBMGTE-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)C1(N(C)C)CCC1 ZINC001367647474 1338903024 /nfs/dbraw/zinc/90/30/24/1338903024.db2.gz RBQXBGJBJGXRCU-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001367648173 1338903725 /nfs/dbraw/zinc/90/37/25/1338903725.db2.gz OKCWNXISSWOZGG-KBXCAEBGSA-N 1 3 335.467 2.639 20 0 EFADHO Cc1ccncc1CNC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001367746467 1338974333 /nfs/dbraw/zinc/97/43/33/1338974333.db2.gz NETURRNERJJEJP-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccncc1CNC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001367746467 1338974336 /nfs/dbraw/zinc/97/43/36/1338974336.db2.gz NETURRNERJJEJP-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001367756540 1338983629 /nfs/dbraw/zinc/98/36/29/1338983629.db2.gz VOFVDCMRRQIBEN-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001367766394 1338991443 /nfs/dbraw/zinc/99/14/43/1338991443.db2.gz QNIMDALHYFPRPF-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001367805218 1339024115 /nfs/dbraw/zinc/02/41/15/1339024115.db2.gz LFGGIKYMIADGEN-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001367805218 1339024119 /nfs/dbraw/zinc/02/41/19/1339024119.db2.gz LFGGIKYMIADGEN-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367820093 1339037072 /nfs/dbraw/zinc/03/70/72/1339037072.db2.gz HLPHELZQJDMMCI-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367821316 1339038013 /nfs/dbraw/zinc/03/80/13/1339038013.db2.gz KTUAJHYDHGQDNY-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001367841067 1339058112 /nfs/dbraw/zinc/05/81/12/1339058112.db2.gz ZTTGMKNFHIYKAY-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001367841067 1339058116 /nfs/dbraw/zinc/05/81/16/1339058116.db2.gz ZTTGMKNFHIYKAY-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001367912595 1339103076 /nfs/dbraw/zinc/10/30/76/1339103076.db2.gz NXWPMJSUUFDVNH-KUHUBIRLSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001367912593 1339103136 /nfs/dbraw/zinc/10/31/36/1339103136.db2.gz NXWPMJSUUFDVNH-IFXJQAMLSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1C ZINC001368005212 1339153738 /nfs/dbraw/zinc/15/37/38/1339153738.db2.gz BKTJEXZRXLPBQI-SFHVURJKSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1ccc(CNC2(CNC(=O)CC3CC[NH+](C)CC3)CC2)cc1F ZINC001368029989 1339165600 /nfs/dbraw/zinc/16/56/00/1339165600.db2.gz IWETUDUBCZNTCI-UHFFFAOYSA-N 1 3 347.478 2.604 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(NCc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001368033782 1339167448 /nfs/dbraw/zinc/16/74/48/1339167448.db2.gz AOCJOPKNAOMUQU-MRXNPFEDSA-N 1 3 337.895 2.665 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C/C=C/Cl)C2CCCCCC2)C1 ZINC001368052159 1339177819 /nfs/dbraw/zinc/17/78/19/1339177819.db2.gz SWORHBVNGCKMKJ-DHINHOHASA-N 1 3 341.927 2.832 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCN(C/C=C/Cl)C2CCCCCC2)C1 ZINC001368052159 1339177821 /nfs/dbraw/zinc/17/78/21/1339177821.db2.gz SWORHBVNGCKMKJ-DHINHOHASA-N 1 3 341.927 2.832 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C1)CC[NH+](CC1CC(C)C1)CC2 ZINC001368055568 1339180614 /nfs/dbraw/zinc/18/06/14/1339180614.db2.gz HSVSNAZBZPSWAF-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368117076 1339201443 /nfs/dbraw/zinc/20/14/43/1339201443.db2.gz CAHFBJOORYCLJQ-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001368193431 1339247243 /nfs/dbraw/zinc/24/72/43/1339247243.db2.gz DKTNKVLXXCGEOU-PZJWPPBQSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001368206264 1339255005 /nfs/dbraw/zinc/25/50/05/1339255005.db2.gz GIBDSJKDKBRXCQ-IBGZPJMESA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H](C(=O)NCC1(C)CC[NH+](CCCF)CC1)N1CCCCCC1 ZINC001368207892 1339256322 /nfs/dbraw/zinc/25/63/22/1339256322.db2.gz ARISQYFKCIOHEX-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2F)CC1)N(C)C ZINC001368212362 1339259221 /nfs/dbraw/zinc/25/92/21/1339259221.db2.gz JJTDXBMUJUDJEL-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001368312150 1339295341 /nfs/dbraw/zinc/29/53/41/1339295341.db2.gz JUKOMDMQJQUFQS-FUHWJXTLSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCCN1C)c1ccccc1 ZINC001368312153 1339295498 /nfs/dbraw/zinc/29/54/98/1339295498.db2.gz JUKOMDMQJQUFQS-SJLPKXTDSA-N 1 3 346.519 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(CC)c2)C1 ZINC001368330658 1339301516 /nfs/dbraw/zinc/30/15/16/1339301516.db2.gz BAANJZGRLLMJMV-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001368499567 1339438221 /nfs/dbraw/zinc/43/82/21/1339438221.db2.gz CXNBZRRKNSMTFM-WZGPROSRSA-N 1 3 343.515 2.882 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001368500659 1339438764 /nfs/dbraw/zinc/43/87/64/1339438764.db2.gz NFPMREXBJMLYDW-MAEOIBBWSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001368522470 1339458546 /nfs/dbraw/zinc/45/85/46/1339458546.db2.gz MXKKIMLYADXYMY-MCYKXBRJSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cnccc2C)CC1 ZINC001368536095 1339474914 /nfs/dbraw/zinc/47/49/14/1339474914.db2.gz UCTBBHYFMGUQBT-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cnccc2C)CC1 ZINC001368536095 1339474918 /nfs/dbraw/zinc/47/49/18/1339474918.db2.gz UCTBBHYFMGUQBT-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001368562349 1339507787 /nfs/dbraw/zinc/50/77/87/1339507787.db2.gz NIEZATAJHAAXTD-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001368562349 1339507790 /nfs/dbraw/zinc/50/77/90/1339507790.db2.gz NIEZATAJHAAXTD-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001368567937 1339516623 /nfs/dbraw/zinc/51/66/23/1339516623.db2.gz JQIPZJAEVPSQGN-GUDVDZBRSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001368606989 1339546736 /nfs/dbraw/zinc/54/67/36/1339546736.db2.gz MXKKIMLYADXYMY-LWCVALJOSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001368719768 1339639119 /nfs/dbraw/zinc/63/91/19/1339639119.db2.gz XDSONYXXDATQET-HNNXBMFYSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001368719904 1339639238 /nfs/dbraw/zinc/63/92/38/1339639238.db2.gz YYWUUTNAOJEPKS-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001368920588 1339866124 /nfs/dbraw/zinc/86/61/24/1339866124.db2.gz YNULIFYLLBXHGG-SFHVURJKSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001369085909 1339905752 /nfs/dbraw/zinc/90/57/52/1339905752.db2.gz GDVXDYOQEHAGQM-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001369098588 1339914241 /nfs/dbraw/zinc/91/42/41/1339914241.db2.gz WKKCKYBZQSADQP-OOQKYCGBSA-N 1 3 343.515 2.867 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001369098594 1339914499 /nfs/dbraw/zinc/91/44/99/1339914499.db2.gz WKKCKYBZQSADQP-SNWXFPGBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001370266123 1339996610 /nfs/dbraw/zinc/99/66/10/1339996610.db2.gz QEWZZAYZSJFDBJ-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001370306863 1340025101 /nfs/dbraw/zinc/02/51/01/1340025101.db2.gz YFBSUWWHLNPPHT-SFHVURJKSA-N 1 3 349.494 2.544 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001370406509 1340061180 /nfs/dbraw/zinc/06/11/80/1340061180.db2.gz VMOXPXNWYPCJQE-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001370485124 1340097586 /nfs/dbraw/zinc/09/75/86/1340097586.db2.gz QMZNCWCUYCEZOF-QAQDUYKDSA-N 1 3 349.906 2.870 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001370486128 1340098041 /nfs/dbraw/zinc/09/80/41/1340098041.db2.gz SYFDNROVCRBDAJ-ZWOKBUDYSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)C1)N(C)C ZINC001370490731 1340100382 /nfs/dbraw/zinc/10/03/82/1340100382.db2.gz OLBOPYPYIJDXTH-PLNCSYRRSA-N 1 3 339.430 2.603 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC001370522481 1340114434 /nfs/dbraw/zinc/11/44/34/1340114434.db2.gz NUHQYKLBYINUDM-UFYCRDLUSA-N 1 3 345.531 2.962 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370545942 1340127455 /nfs/dbraw/zinc/12/74/55/1340127455.db2.gz IEAOZJWBEORQFT-MTNOOBJLSA-N 1 3 331.504 2.879 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC001370593384 1340154013 /nfs/dbraw/zinc/15/40/13/1340154013.db2.gz NLAKEEBHGZPAHZ-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC001370593384 1340154017 /nfs/dbraw/zinc/15/40/17/1340154017.db2.gz NLAKEEBHGZPAHZ-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001370755730 1340198605 /nfs/dbraw/zinc/19/86/05/1340198605.db2.gz UDNCEUATBHDEFP-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001370755730 1340198606 /nfs/dbraw/zinc/19/86/06/1340198606.db2.gz UDNCEUATBHDEFP-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001370757313 1340199654 /nfs/dbraw/zinc/19/96/54/1340199654.db2.gz ZHFUKZFVFDQRRM-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001370757313 1340199655 /nfs/dbraw/zinc/19/96/55/1340199655.db2.gz ZHFUKZFVFDQRRM-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001370770486 1340202931 /nfs/dbraw/zinc/20/29/31/1340202931.db2.gz BELWKDOMOYPOFF-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001370770486 1340202935 /nfs/dbraw/zinc/20/29/35/1340202935.db2.gz BELWKDOMOYPOFF-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001370779958 1340206948 /nfs/dbraw/zinc/20/69/48/1340206948.db2.gz GFJWDYHHHYYOOS-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001370779958 1340206951 /nfs/dbraw/zinc/20/69/51/1340206951.db2.gz GFJWDYHHHYYOOS-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001370782959 1340207845 /nfs/dbraw/zinc/20/78/45/1340207845.db2.gz ZYRFEXHRWDXJJH-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001370782959 1340207849 /nfs/dbraw/zinc/20/78/49/1340207849.db2.gz ZYRFEXHRWDXJJH-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370786682 1340210912 /nfs/dbraw/zinc/21/09/12/1340210912.db2.gz UJFXLMZZVHUNBL-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370786682 1340210914 /nfs/dbraw/zinc/21/09/14/1340210914.db2.gz UJFXLMZZVHUNBL-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001370905460 1340274054 /nfs/dbraw/zinc/27/40/54/1340274054.db2.gz FEDHUIWTSOKZJF-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001370967095 1340312422 /nfs/dbraw/zinc/31/24/22/1340312422.db2.gz CXMZDFNSFXJQFR-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001370967095 1340312426 /nfs/dbraw/zinc/31/24/26/1340312426.db2.gz CXMZDFNSFXJQFR-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001370977845 1340319849 /nfs/dbraw/zinc/31/98/49/1340319849.db2.gz QCZFMXWSTFCJIZ-IAGOWNOFSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001370977845 1340319863 /nfs/dbraw/zinc/31/98/63/1340319863.db2.gz QCZFMXWSTFCJIZ-IAGOWNOFSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041461 1340329391 /nfs/dbraw/zinc/32/93/91/1340329391.db2.gz FTXVNZQIPXIDPA-PXTPFGJHSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041461 1340329393 /nfs/dbraw/zinc/32/93/93/1340329393.db2.gz FTXVNZQIPXIDPA-PXTPFGJHSA-N 1 3 343.515 2.770 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371178556 1340396842 /nfs/dbraw/zinc/39/68/42/1340396842.db2.gz MOEFEASZPZKRKU-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001371214363 1340422002 /nfs/dbraw/zinc/42/20/02/1340422002.db2.gz UOIAJBGTIIYCMO-FZKQIMNGSA-N 1 3 349.906 2.906 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001371433485 1340588047 /nfs/dbraw/zinc/58/80/47/1340588047.db2.gz VAFIIKBLRLEXST-PBHICJAKSA-N 1 3 339.911 2.563 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001371433988 1340588573 /nfs/dbraw/zinc/58/85/73/1340588573.db2.gz WKFKJURDKWPFAF-WBMJQRKESA-N 1 3 343.874 2.660 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1Cl ZINC001371528297 1340634196 /nfs/dbraw/zinc/63/41/96/1340634196.db2.gz DCIRDMZRLWTDPX-CABCVRRESA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001372825883 1340821426 /nfs/dbraw/zinc/82/14/26/1340821426.db2.gz IOOATJQPQOMYDG-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001372825883 1340821429 /nfs/dbraw/zinc/82/14/29/1340821429.db2.gz IOOATJQPQOMYDG-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)c(Cl)c1 ZINC001372922091 1340855551 /nfs/dbraw/zinc/85/55/51/1340855551.db2.gz LCVDQPZWIQFAAV-MLGOLLRUSA-N 1 3 341.858 2.682 20 0 EFADHO CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001373128323 1340917881 /nfs/dbraw/zinc/91/78/81/1340917881.db2.gz SEOXCSDWVXMFOJ-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373314992 1340987524 /nfs/dbraw/zinc/98/75/24/1340987524.db2.gz HDPWQPRXJLYZMM-PKOBYXMFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373314992 1340987525 /nfs/dbraw/zinc/98/75/25/1340987525.db2.gz HDPWQPRXJLYZMM-PKOBYXMFSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001373321190 1340990728 /nfs/dbraw/zinc/99/07/28/1340990728.db2.gz SIRKCZNYTIHISE-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CCF)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001373321190 1340990729 /nfs/dbraw/zinc/99/07/29/1340990729.db2.gz SIRKCZNYTIHISE-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C/C=C/Cl)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001373333478 1340994828 /nfs/dbraw/zinc/99/48/28/1340994828.db2.gz NWNWWYZOCVWKLY-WEVVVXLNSA-N 1 3 341.927 2.785 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CCC2CCCCCC2)C1)N(C)C ZINC001373516560 1341042752 /nfs/dbraw/zinc/04/27/52/1341042752.db2.gz YCDGSZIQCNGXMA-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373545643 1341050117 /nfs/dbraw/zinc/05/01/17/1341050117.db2.gz KRHJRHZYGNMDPH-HXUWFJFHSA-N 1 3 345.531 2.562 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1CN(CCCc2ccsc2)C1 ZINC001373558892 1341053623 /nfs/dbraw/zinc/05/36/23/1341053623.db2.gz CGRZKRWTDUXFSC-UHFFFAOYSA-N 1 3 349.544 2.605 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373679615 1341096980 /nfs/dbraw/zinc/09/69/80/1341096980.db2.gz JXVKLIYFWLEQBX-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373679615 1341096981 /nfs/dbraw/zinc/09/69/81/1341096981.db2.gz JXVKLIYFWLEQBX-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001373796443 1341151520 /nfs/dbraw/zinc/15/15/20/1341151520.db2.gz MVWMCKCSVCOFOA-ROUUACIJSA-N 1 3 337.483 2.705 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001373819173 1341161487 /nfs/dbraw/zinc/16/14/87/1341161487.db2.gz SUYYXAGIZRDFTG-AEFFLSMTSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001373889684 1341190101 /nfs/dbraw/zinc/19/01/01/1341190101.db2.gz RICXHYDDSDREIO-PKOBYXMFSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001373938647 1341224052 /nfs/dbraw/zinc/22/40/52/1341224052.db2.gz QGGPVDHTEQAMQQ-GEZBDVBVSA-N 1 3 329.916 2.543 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](Cc2cccc(F)c2)CC1)N(C)C ZINC001373946491 1341235345 /nfs/dbraw/zinc/23/53/45/1341235345.db2.gz MENXRICXXHXVHE-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001374028229 1341317657 /nfs/dbraw/zinc/31/76/57/1341317657.db2.gz QQPYWZNJGXMSJM-HOCLYGCPSA-N 1 3 347.494 2.740 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1sccc1Cl ZINC001374068613 1341359322 /nfs/dbraw/zinc/35/93/22/1341359322.db2.gz AJQVTVUQHUTHRE-STQMWFEESA-N 1 3 343.924 2.585 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001374069837 1341360682 /nfs/dbraw/zinc/36/06/82/1341360682.db2.gz CIIPQGCUZYPBPY-ZIAGYGMSSA-N 1 3 337.533 2.549 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001374076655 1341369061 /nfs/dbraw/zinc/36/90/61/1341369061.db2.gz BSJHQUXEUCRHSK-APWZRJJASA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001374098908 1341402539 /nfs/dbraw/zinc/40/25/39/1341402539.db2.gz PNMXVLMPPMSLER-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CCCC1)N(C)C ZINC001374178308 1341517836 /nfs/dbraw/zinc/51/78/36/1341517836.db2.gz VRXDIKFUJKINAC-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233396 1341586265 /nfs/dbraw/zinc/58/62/65/1341586265.db2.gz NBFPQWXBQYTYKB-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001374236049 1341589860 /nfs/dbraw/zinc/58/98/60/1341589860.db2.gz WDNBJDPTJVCSMN-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)ccc1C ZINC001374240863 1341595249 /nfs/dbraw/zinc/59/52/49/1341595249.db2.gz FEJKRBBYASFTTN-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001374318924 1341713838 /nfs/dbraw/zinc/71/38/38/1341713838.db2.gz FYOYRGYVSBIYCC-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001374318929 1341714076 /nfs/dbraw/zinc/71/40/76/1341714076.db2.gz FYOYRGYVSBIYCC-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374321042 1341719200 /nfs/dbraw/zinc/71/92/00/1341719200.db2.gz NDRBNACDLHYVMZ-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@@H](C)C1 ZINC001374389199 1341841571 /nfs/dbraw/zinc/84/15/71/1341841571.db2.gz XFHMJJBJDJDUHK-YOEHRIQHSA-N 1 3 337.533 2.725 20 0 EFADHO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNCc1ccccc1F ZINC001374399660 1341861343 /nfs/dbraw/zinc/86/13/43/1341861343.db2.gz XXPOEBXYZBBXQL-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO C[N@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)Cc1ccccc1 ZINC001374402477 1341866930 /nfs/dbraw/zinc/86/69/30/1341866930.db2.gz AEOFNENZJDAFDC-UHFFFAOYSA-N 1 3 340.471 2.713 20 0 EFADHO C[N@@H+](CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)Cc1ccccc1 ZINC001374402477 1341866931 /nfs/dbraw/zinc/86/69/31/1341866931.db2.gz AEOFNENZJDAFDC-UHFFFAOYSA-N 1 3 340.471 2.713 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001374425106 1341906726 /nfs/dbraw/zinc/90/67/26/1341906726.db2.gz KPZFNEBBBFKETO-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470192 1341949367 /nfs/dbraw/zinc/94/93/67/1341949367.db2.gz DFJXNNZXPNUZGE-IBGZPJMESA-N 1 3 331.504 2.794 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470192 1341949371 /nfs/dbraw/zinc/94/93/71/1341949371.db2.gz DFJXNNZXPNUZGE-IBGZPJMESA-N 1 3 331.504 2.794 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470094 1341949625 /nfs/dbraw/zinc/94/96/25/1341949625.db2.gz CUFVXGMERIERAK-PBHICJAKSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470094 1341949628 /nfs/dbraw/zinc/94/96/28/1341949628.db2.gz CUFVXGMERIERAK-PBHICJAKSA-N 1 3 337.895 2.885 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001374498631 1341982463 /nfs/dbraw/zinc/98/24/63/1341982463.db2.gz FTTKPSGKZBMGHU-IBGZPJMESA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001374498631 1341982467 /nfs/dbraw/zinc/98/24/67/1341982467.db2.gz FTTKPSGKZBMGHU-IBGZPJMESA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374534824 1342034973 /nfs/dbraw/zinc/03/49/73/1342034973.db2.gz CGIBMMOXXKWNJV-IEBWSBKVSA-N 1 3 331.504 2.870 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374534824 1342034978 /nfs/dbraw/zinc/03/49/78/1342034978.db2.gz CGIBMMOXXKWNJV-IEBWSBKVSA-N 1 3 331.504 2.870 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001374552133 1342060165 /nfs/dbraw/zinc/06/01/65/1342060165.db2.gz COJKUMIHXBGBPQ-KRWDZBQOSA-N 1 3 339.911 2.613 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001374552133 1342060176 /nfs/dbraw/zinc/06/01/76/1342060176.db2.gz COJKUMIHXBGBPQ-KRWDZBQOSA-N 1 3 339.911 2.613 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564048 1342078758 /nfs/dbraw/zinc/07/87/58/1342078758.db2.gz XMMLMPFEHBNADE-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564048 1342078760 /nfs/dbraw/zinc/07/87/60/1342078760.db2.gz XMMLMPFEHBNADE-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001374897886 1342229817 /nfs/dbraw/zinc/22/98/17/1342229817.db2.gz GLISHESDKOUMEO-KXBFYZLASA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001375051186 1342352532 /nfs/dbraw/zinc/35/25/32/1342352532.db2.gz ASMIWQLLUZMQKK-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001375051186 1342352540 /nfs/dbraw/zinc/35/25/40/1342352540.db2.gz ASMIWQLLUZMQKK-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393380976 1356801587 /nfs/dbraw/zinc/80/15/87/1356801587.db2.gz GFUBOYXJCSAQQL-MSSSOJMCSA-N 1 3 329.916 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCc2ccccc2F)C1 ZINC001393386752 1356806870 /nfs/dbraw/zinc/80/68/70/1356806870.db2.gz IBXMHKVCORNWNZ-FUHWJXTLSA-N 1 3 349.494 2.537 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001375231667 1342534742 /nfs/dbraw/zinc/53/47/42/1342534742.db2.gz YMEOWULCSVMKDG-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001375254340 1342558265 /nfs/dbraw/zinc/55/82/65/1342558265.db2.gz FTIDAJSEMPGBAA-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001375272894 1342579682 /nfs/dbraw/zinc/57/96/82/1342579682.db2.gz PRADBEWDABCZJS-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375293111 1342599891 /nfs/dbraw/zinc/59/98/91/1342599891.db2.gz ZOVHISBCASPELM-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1)CC(C)(C)C ZINC001393554727 1356944970 /nfs/dbraw/zinc/94/49/70/1356944970.db2.gz GZMDCVBFOYDTBM-UHFFFAOYSA-N 1 3 345.478 2.638 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)C1CCC1 ZINC001375492948 1342799262 /nfs/dbraw/zinc/79/92/62/1342799262.db2.gz DGILIXYBFSFIGJ-QFDSWDFVSA-N 1 3 341.499 2.669 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001375497605 1342804679 /nfs/dbraw/zinc/80/46/79/1342804679.db2.gz ITOBIGHRQMWTAR-SXLOBPIMSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1)N(C)C ZINC001375519138 1342827660 /nfs/dbraw/zinc/82/76/60/1342827660.db2.gz PHBBSWKHBSSMGX-VXNCWWDNSA-N 1 3 331.504 2.881 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001375537370 1342848877 /nfs/dbraw/zinc/84/88/77/1342848877.db2.gz JNCNWRIDKLNLPH-RZDIXWSQSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001375540410 1342851806 /nfs/dbraw/zinc/85/18/06/1342851806.db2.gz CXNBZRRKNSMTFM-NXWXRZEISA-N 1 3 343.515 2.882 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001375554791 1342869508 /nfs/dbraw/zinc/86/95/08/1342869508.db2.gz SJXOPIANVPRANY-SZMVWBNQSA-N 1 3 340.471 2.896 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001375571018 1342888428 /nfs/dbraw/zinc/88/84/28/1342888428.db2.gz URCQQFSGTOCEIC-ZCNNSNEGSA-N 1 3 343.515 2.567 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001375571018 1342888432 /nfs/dbraw/zinc/88/84/32/1342888432.db2.gz URCQQFSGTOCEIC-ZCNNSNEGSA-N 1 3 343.515 2.567 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001375598425 1342916921 /nfs/dbraw/zinc/91/69/21/1342916921.db2.gz QVYQUUQDRFKJGZ-RUDMXATFSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001375598425 1342916924 /nfs/dbraw/zinc/91/69/24/1342916924.db2.gz QVYQUUQDRFKJGZ-RUDMXATFSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C[C@H]1C ZINC001375734642 1342963430 /nfs/dbraw/zinc/96/34/30/1342963430.db2.gz BWAHXKZTIOMFMX-QUCCMNQESA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C[C@@H]1C ZINC001375734636 1342963603 /nfs/dbraw/zinc/96/36/03/1342963603.db2.gz BWAHXKZTIOMFMX-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393722412 1357103972 /nfs/dbraw/zinc/10/39/72/1357103972.db2.gz QPYJXEMIAIMILL-KURKYZTESA-N 1 3 325.541 2.835 20 0 EFADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001375888926 1343134581 /nfs/dbraw/zinc/13/45/81/1343134581.db2.gz KNYAHLOZTALTTA-AUUYWEPGSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001375888938 1343134860 /nfs/dbraw/zinc/13/48/60/1343134860.db2.gz KNYAHLOZTALTTA-LIRRHRJNSA-N 1 3 344.434 2.681 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001375893283 1343140513 /nfs/dbraw/zinc/14/05/13/1343140513.db2.gz VMQWERVYQUDLAX-HXUWFJFHSA-N 1 3 340.471 2.543 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001376012907 1343258967 /nfs/dbraw/zinc/25/89/67/1343258967.db2.gz HNPXKDMZPHBOAP-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]C/C=C/c2ccccc2)C2CC2)CCC1 ZINC001376217469 1343405726 /nfs/dbraw/zinc/40/57/26/1343405726.db2.gz PQSCZRUMPKGSIP-IUYMFKLXSA-N 1 3 341.499 2.669 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001376251601 1343428462 /nfs/dbraw/zinc/42/84/62/1343428462.db2.gz JPFHVOIWRMLQNT-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1)CC(C)(C)C ZINC001376277910 1343447916 /nfs/dbraw/zinc/44/79/16/1343447916.db2.gz ARCDNZIPOMFPSF-GQSKFBFOSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1)CC(C)(C)C ZINC001376277910 1343447917 /nfs/dbraw/zinc/44/79/17/1343447917.db2.gz ARCDNZIPOMFPSF-GQSKFBFOSA-N 1 3 343.943 2.887 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001393756531 1357129568 /nfs/dbraw/zinc/12/95/68/1357129568.db2.gz FHWPADOANBXPER-OALUTQOASA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001393756531 1357129570 /nfs/dbraw/zinc/12/95/70/1357129570.db2.gz FHWPADOANBXPER-OALUTQOASA-N 1 3 345.531 2.990 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2)C1 ZINC001376339059 1343495655 /nfs/dbraw/zinc/49/56/55/1343495655.db2.gz CFQPWJJMZMTNAN-ZWKOTPCHSA-N 1 3 335.467 2.809 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)CCC1 ZINC001376367790 1343520017 /nfs/dbraw/zinc/52/00/17/1343520017.db2.gz SYKNOCDIZYKOKB-BCDXTJNWSA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)CCC1 ZINC001376367790 1343520020 /nfs/dbraw/zinc/52/00/20/1343520020.db2.gz SYKNOCDIZYKOKB-BCDXTJNWSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC001376403475 1343558596 /nfs/dbraw/zinc/55/85/96/1343558596.db2.gz UCPLAWKEPZWTGZ-KBRIMQKVSA-N 1 3 337.895 2.980 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001376404773 1343559769 /nfs/dbraw/zinc/55/97/69/1343559769.db2.gz WWAMVDJNAZMCLJ-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001376407362 1343563210 /nfs/dbraw/zinc/56/32/10/1343563210.db2.gz KDMVSBMZTZVVPE-PSBWJHGTSA-N 1 3 347.478 2.780 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001376407371 1343563256 /nfs/dbraw/zinc/56/32/56/1343563256.db2.gz KDMVSBMZTZVVPE-RWQQGDIJSA-N 1 3 347.478 2.780 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001376558800 1343675156 /nfs/dbraw/zinc/67/51/56/1343675156.db2.gz QLCAQHLLZPPNDA-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001376613984 1343721989 /nfs/dbraw/zinc/72/19/89/1343721989.db2.gz ISLAXFDEFCPQCM-UAPYVXQJSA-N 1 3 349.494 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625566 1343732538 /nfs/dbraw/zinc/73/25/38/1343732538.db2.gz NUMPVQNBCHNCJD-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625566 1343732542 /nfs/dbraw/zinc/73/25/42/1343732542.db2.gz NUMPVQNBCHNCJD-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376628285 1343734809 /nfs/dbraw/zinc/73/48/09/1343734809.db2.gz REAVOZRJUKLHLC-HOCLYGCPSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001376628285 1343734810 /nfs/dbraw/zinc/73/48/10/1343734810.db2.gz REAVOZRJUKLHLC-HOCLYGCPSA-N 1 3 345.478 2.590 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]CC3CC(F)(F)C3)CC2)CCC1 ZINC001376662960 1343749558 /nfs/dbraw/zinc/74/95/58/1343749558.db2.gz ISFAJYBHTYSHBJ-UHFFFAOYSA-N 1 3 343.462 2.533 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCC1 ZINC001376806166 1343854531 /nfs/dbraw/zinc/85/45/31/1343854531.db2.gz DWQDZPNZURBUJM-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc3c(c2)CCC3)CCC1)N(C)C ZINC001376808141 1343857927 /nfs/dbraw/zinc/85/79/27/1343857927.db2.gz GRVLTELMXFFZGL-IBGZPJMESA-N 1 3 343.515 2.644 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001376812466 1343864621 /nfs/dbraw/zinc/86/46/21/1343864621.db2.gz PEHLPKPHBBKBPG-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001376812467 1343864767 /nfs/dbraw/zinc/86/47/67/1343864767.db2.gz PEHLPKPHBBKBPG-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912678 1343951557 /nfs/dbraw/zinc/95/15/57/1343951557.db2.gz VNHOFQOAGVWUBJ-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912678 1343951551 /nfs/dbraw/zinc/95/15/51/1343951551.db2.gz VNHOFQOAGVWUBJ-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C/c3ccccc3)C2)CC1 ZINC001376917590 1343955664 /nfs/dbraw/zinc/95/56/64/1343955664.db2.gz JSQMODJNNQHQJJ-FKIZTMCRSA-N 1 3 341.499 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001376918992 1343956430 /nfs/dbraw/zinc/95/64/30/1343956430.db2.gz PBIKYGGUBMTABO-UZLBHIALSA-N 1 3 343.515 2.769 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001376948210 1343978644 /nfs/dbraw/zinc/97/86/44/1343978644.db2.gz FLYJIEIZDYPPSN-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001376948712 1343979733 /nfs/dbraw/zinc/97/97/33/1343979733.db2.gz YMSBOPXYTXPEKM-MRXNPFEDSA-N 1 3 347.494 2.932 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001376948712 1343979736 /nfs/dbraw/zinc/97/97/36/1343979736.db2.gz YMSBOPXYTXPEKM-MRXNPFEDSA-N 1 3 347.494 2.932 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001376951467 1343981285 /nfs/dbraw/zinc/98/12/85/1343981285.db2.gz COYIPYBNBWANBE-QAPCUYQASA-N 1 3 326.444 2.542 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001376967993 1343996398 /nfs/dbraw/zinc/99/63/98/1343996398.db2.gz VEEISZHBSDNAAV-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001376970194 1343998418 /nfs/dbraw/zinc/99/84/18/1343998418.db2.gz GJOLHQQPOQCZPK-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001376970194 1343998421 /nfs/dbraw/zinc/99/84/21/1343998421.db2.gz GJOLHQQPOQCZPK-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001376998862 1344041347 /nfs/dbraw/zinc/04/13/47/1344041347.db2.gz RSEVDKKZUKZGCX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001376998862 1344041354 /nfs/dbraw/zinc/04/13/54/1344041354.db2.gz RSEVDKKZUKZGCX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)c2)C1 ZINC001377000321 1344044120 /nfs/dbraw/zinc/04/41/20/1344044120.db2.gz UHUFXCUVXSGYFT-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC001377000321 1344044125 /nfs/dbraw/zinc/04/41/25/1344044125.db2.gz UHUFXCUVXSGYFT-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001377034267 1344079824 /nfs/dbraw/zinc/07/98/24/1344079824.db2.gz SZINLPRYHDZBTP-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001377034267 1344079829 /nfs/dbraw/zinc/07/98/29/1344079829.db2.gz SZINLPRYHDZBTP-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001377092850 1344128371 /nfs/dbraw/zinc/12/83/71/1344128371.db2.gz LYFKMWHMAQRKRS-YJBOKZPZSA-N 1 3 337.483 2.705 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001377419582 1344161744 /nfs/dbraw/zinc/16/17/44/1344161744.db2.gz UZDORIHCCRJIFU-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001377419582 1344161747 /nfs/dbraw/zinc/16/17/47/1344161747.db2.gz UZDORIHCCRJIFU-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377591098 1344198017 /nfs/dbraw/zinc/19/80/17/1344198017.db2.gz JVSRMMKFKSDMST-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377591098 1344198019 /nfs/dbraw/zinc/19/80/19/1344198019.db2.gz JVSRMMKFKSDMST-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001377714640 1344361156 /nfs/dbraw/zinc/36/11/56/1344361156.db2.gz CKXUEHZORSXVAA-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001377714640 1344361160 /nfs/dbraw/zinc/36/11/60/1344361160.db2.gz CKXUEHZORSXVAA-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001377823246 1344479136 /nfs/dbraw/zinc/47/91/36/1344479136.db2.gz CDHPKFQEQVXJJJ-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001377823246 1344479141 /nfs/dbraw/zinc/47/91/41/1344479141.db2.gz CDHPKFQEQVXJJJ-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001377836957 1344492289 /nfs/dbraw/zinc/49/22/89/1344492289.db2.gz ASIHSFOFBIOKRR-BZSNNMDCSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001377836957 1344492293 /nfs/dbraw/zinc/49/22/93/1344492293.db2.gz ASIHSFOFBIOKRR-BZSNNMDCSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001377977809 1344631917 /nfs/dbraw/zinc/63/19/17/1344631917.db2.gz UUECHKQRGXVLAE-CRLZUZNUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001378065211 1344718944 /nfs/dbraw/zinc/71/89/44/1344718944.db2.gz AYLXBGCFMMXCBA-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001378065211 1344718950 /nfs/dbraw/zinc/71/89/50/1344718950.db2.gz AYLXBGCFMMXCBA-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001378067818 1344722192 /nfs/dbraw/zinc/72/21/92/1344722192.db2.gz ZNTFPMCVANEYEM-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001378067818 1344722194 /nfs/dbraw/zinc/72/21/94/1344722194.db2.gz ZNTFPMCVANEYEM-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001378067823 1344722355 /nfs/dbraw/zinc/72/23/55/1344722355.db2.gz ZNTFPMCVANEYEM-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001378067823 1344722358 /nfs/dbraw/zinc/72/23/58/1344722358.db2.gz ZNTFPMCVANEYEM-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378116617 1344779356 /nfs/dbraw/zinc/77/93/56/1344779356.db2.gz UWDHTOXDTLDGQB-YQVWRLOYSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378116617 1344779362 /nfs/dbraw/zinc/77/93/62/1344779362.db2.gz UWDHTOXDTLDGQB-YQVWRLOYSA-N 1 3 331.504 2.833 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378153829 1344819643 /nfs/dbraw/zinc/81/96/43/1344819643.db2.gz WSTVYFIPVIZFBD-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378153829 1344819649 /nfs/dbraw/zinc/81/96/49/1344819649.db2.gz WSTVYFIPVIZFBD-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378176841 1344848296 /nfs/dbraw/zinc/84/82/96/1344848296.db2.gz GUIBIHZICXTZLN-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378176841 1344848297 /nfs/dbraw/zinc/84/82/97/1344848297.db2.gz GUIBIHZICXTZLN-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC/C=C/c1ccccc1 ZINC001378207225 1344889360 /nfs/dbraw/zinc/88/93/60/1344889360.db2.gz VHYKSNHKXPNHGG-BPLPYTOXSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC/C=C/c1ccccc1 ZINC001378207225 1344889363 /nfs/dbraw/zinc/88/93/63/1344889363.db2.gz VHYKSNHKXPNHGG-BPLPYTOXSA-N 1 3 340.471 2.801 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](CC)C/C=C\Cl)CC1 ZINC001393857021 1357214671 /nfs/dbraw/zinc/21/46/71/1357214671.db2.gz COCXMWPDPHIWCZ-TWGQIWQCSA-N 1 3 329.916 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](CC)C/C=C\Cl)CC1 ZINC001393857021 1357214674 /nfs/dbraw/zinc/21/46/74/1357214674.db2.gz COCXMWPDPHIWCZ-TWGQIWQCSA-N 1 3 329.916 2.641 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001378300285 1344968100 /nfs/dbraw/zinc/96/81/00/1344968100.db2.gz LOVFGOXBIUPDMB-MJGOQNOKSA-N 1 3 333.520 2.936 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001378443323 1345080785 /nfs/dbraw/zinc/08/07/85/1345080785.db2.gz ZHXAXILDSNDCQZ-KKUMJFAQSA-N 1 3 349.441 2.829 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]Cc2ccccc2)cc1)N(C)C ZINC001378461804 1345097388 /nfs/dbraw/zinc/09/73/88/1345097388.db2.gz JKTJSJJJXKBIIE-HXUWFJFHSA-N 1 3 339.483 2.933 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCCC1CCN(C/C=C/Cl)CC1 ZINC001378491891 1345121847 /nfs/dbraw/zinc/12/18/47/1345121847.db2.gz DSJNYITUJHCNFQ-RUDMXATFSA-N 1 3 341.927 2.833 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378536764 1345147627 /nfs/dbraw/zinc/14/76/27/1345147627.db2.gz VMTWFDDPYYTJDO-PXNSSMCTSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378548006 1345154954 /nfs/dbraw/zinc/15/49/54/1345154954.db2.gz KAJQOOUXDBJUBT-YJBOKZPZSA-N 1 3 335.467 2.540 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378564868 1345166749 /nfs/dbraw/zinc/16/67/49/1345166749.db2.gz NGZFLOLCKLDYQV-MAUKXSAKSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001378574727 1345172183 /nfs/dbraw/zinc/17/21/83/1345172183.db2.gz UURRJMUZJFTCEW-AWEZNQCLSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1CC1)N(C)C ZINC001393868182 1357228223 /nfs/dbraw/zinc/22/82/23/1357228223.db2.gz FEICROCXHKGUSC-AQNXPRMDSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001378621400 1345204423 /nfs/dbraw/zinc/20/44/23/1345204423.db2.gz GLZXAFMRCMIQOX-OLZOCXBDSA-N 1 3 332.423 2.503 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001378625404 1345205663 /nfs/dbraw/zinc/20/56/63/1345205663.db2.gz SNHXVFRYSWFIDS-OAHLLOKOSA-N 1 3 342.487 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001378625403 1345205726 /nfs/dbraw/zinc/20/57/26/1345205726.db2.gz SNHXVFRYSWFIDS-HNNXBMFYSA-N 1 3 342.487 2.926 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(OC)cc2)CCCC1)N(C)C ZINC001378717960 1345271811 /nfs/dbraw/zinc/27/18/11/1345271811.db2.gz YXVHQDIIWVHNGV-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC2(CN(Cc3ccc(C)cc3)C2)CC1 ZINC001378729448 1345279178 /nfs/dbraw/zinc/27/91/78/1345279178.db2.gz JGNDRYBXLALGFM-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC2(CN(Cc3ccc(C)cc3)C2)CC1 ZINC001378729448 1345279182 /nfs/dbraw/zinc/27/91/82/1345279182.db2.gz JGNDRYBXLALGFM-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C(=O)CN(C)C1CCC1 ZINC001378779495 1345310177 /nfs/dbraw/zinc/31/01/77/1345310177.db2.gz WVGRBOQKXYSJJM-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C(=O)CN(C)C1CCC1 ZINC001378779498 1345310346 /nfs/dbraw/zinc/31/03/46/1345310346.db2.gz WVGRBOQKXYSJJM-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001378821281 1345339687 /nfs/dbraw/zinc/33/96/87/1345339687.db2.gz KZTRJUSXXZMLAC-CXAGYDPISA-N 1 3 332.423 2.679 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001378821284 1345340200 /nfs/dbraw/zinc/34/02/00/1345340200.db2.gz KZTRJUSXXZMLAC-GUYCJALGSA-N 1 3 332.423 2.679 20 0 EFADHO Cc1cccnc1CNC[C@@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001378852791 1345364306 /nfs/dbraw/zinc/36/43/06/1345364306.db2.gz JIZGETDWBUCRPH-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001378897749 1345406856 /nfs/dbraw/zinc/40/68/56/1345406856.db2.gz MAWSMQGVUOTNGO-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC001378897745 1345406938 /nfs/dbraw/zinc/40/69/38/1345406938.db2.gz MAWSMQGVUOTNGO-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+](CC)CC ZINC001378901997 1345410793 /nfs/dbraw/zinc/41/07/93/1345410793.db2.gz GROVYJYINGBAIS-KXKDPZRNSA-N 1 3 329.916 2.782 20 0 EFADHO CC[N@H+](C)CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001378918772 1345423753 /nfs/dbraw/zinc/42/37/53/1345423753.db2.gz JMXARCYHAXMQPX-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC[N@@H+](C)CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001378918772 1345423757 /nfs/dbraw/zinc/42/37/57/1345423757.db2.gz JMXARCYHAXMQPX-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001378921060 1345425983 /nfs/dbraw/zinc/42/59/83/1345425983.db2.gz UPFVXKGWOYVQGH-QWHCGFSZSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1)N(C)C ZINC001378924657 1345429673 /nfs/dbraw/zinc/42/96/73/1345429673.db2.gz RDHCRNWEBPRHMV-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1)N(C)C ZINC001378924657 1345429676 /nfs/dbraw/zinc/42/96/76/1345429676.db2.gz RDHCRNWEBPRHMV-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001379022971 1345504585 /nfs/dbraw/zinc/50/45/85/1345504585.db2.gz OJPVSYXYSRYKJM-MOPGFXCFSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379083784 1345560930 /nfs/dbraw/zinc/56/09/30/1345560930.db2.gz LKTFMRFZWSCEBV-OXJNMPFZSA-N 1 3 343.515 2.721 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379083784 1345560936 /nfs/dbraw/zinc/56/09/36/1345560936.db2.gz LKTFMRFZWSCEBV-OXJNMPFZSA-N 1 3 343.515 2.721 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001379134224 1345612216 /nfs/dbraw/zinc/61/22/16/1345612216.db2.gz GBKXCWALJAEPCL-DYVFJYSZSA-N 1 3 339.549 2.888 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001379151068 1345627826 /nfs/dbraw/zinc/62/78/26/1345627826.db2.gz OLMVDRVKWTXZBI-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2cccc(C)c2)C1 ZINC001379151068 1345627828 /nfs/dbraw/zinc/62/78/28/1345627828.db2.gz OLMVDRVKWTXZBI-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001379151063 1345627982 /nfs/dbraw/zinc/62/79/82/1345627982.db2.gz OLMVDRVKWTXZBI-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2cccc(C)c2)C1 ZINC001379151063 1345627985 /nfs/dbraw/zinc/62/79/85/1345627985.db2.gz OLMVDRVKWTXZBI-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCc1cccs1 ZINC001379215658 1345663337 /nfs/dbraw/zinc/66/33/37/1345663337.db2.gz HPUJZXISGXRAAR-HNNXBMFYSA-N 1 3 339.549 2.705 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001379235219 1345674081 /nfs/dbraw/zinc/67/40/81/1345674081.db2.gz ZQCWDSYPSRBKQC-YOEHRIQHSA-N 1 3 331.460 2.710 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001379281406 1345697509 /nfs/dbraw/zinc/69/75/09/1345697509.db2.gz HXPXSMJGMYVMJS-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)C1(N(C)C)CCC1 ZINC001379312670 1345717749 /nfs/dbraw/zinc/71/77/49/1345717749.db2.gz ZYGLHTSLBVQDBQ-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001379381728 1345755907 /nfs/dbraw/zinc/75/59/07/1345755907.db2.gz KDJLQUBBAKDRNB-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001379383017 1345757449 /nfs/dbraw/zinc/75/74/49/1345757449.db2.gz NLXHVKYPQBXAHX-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](CNCc1sccc1Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001379463824 1345800439 /nfs/dbraw/zinc/80/04/39/1345800439.db2.gz GMKGGKZZFFORJP-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001379557022 1345858099 /nfs/dbraw/zinc/85/80/99/1345858099.db2.gz TUJCHFUWFJTKSF-RHSMWYFYSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]1C ZINC001379566731 1345871094 /nfs/dbraw/zinc/87/10/94/1345871094.db2.gz JNKYCFHEDNECMO-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)CC(C)(C)C)CC1CCCCC1 ZINC001418562456 1374184804 /nfs/dbraw/zinc/18/48/04/1374184804.db2.gz PODRDLMOJGSERR-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)CC(C)(C)C)CC1CCCCC1 ZINC001418562456 1374184808 /nfs/dbraw/zinc/18/48/08/1374184808.db2.gz PODRDLMOJGSERR-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001379689984 1347261072 /nfs/dbraw/zinc/26/10/72/1347261072.db2.gz XHSTXCKILVLQLJ-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)CCC[NH+](C)C ZINC001379721385 1347284644 /nfs/dbraw/zinc/28/46/44/1347284644.db2.gz FRJZASBDPLLNKH-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001379723940 1347287276 /nfs/dbraw/zinc/28/72/76/1347287276.db2.gz NOOZBQHGRLAASS-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001379875316 1347381798 /nfs/dbraw/zinc/38/17/98/1347381798.db2.gz KVEKRKVABBBWAV-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001379878033 1347383893 /nfs/dbraw/zinc/38/38/93/1347383893.db2.gz OSFBOBFFEHYSGX-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001379901977 1347396995 /nfs/dbraw/zinc/39/69/95/1347396995.db2.gz JNXNGBYUPBVKCN-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001379902702 1347397536 /nfs/dbraw/zinc/39/75/36/1347397536.db2.gz LRWGFZCBEIOSSJ-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1)C1CCC1 ZINC001380107830 1347517746 /nfs/dbraw/zinc/51/77/46/1347517746.db2.gz YYSGHMOFLBHGOT-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001380157248 1347539460 /nfs/dbraw/zinc/53/94/60/1347539460.db2.gz PWRZIBUVMUDNAX-ACBHZAAOSA-N 1 3 331.504 2.660 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001380288898 1347570519 /nfs/dbraw/zinc/57/05/19/1347570519.db2.gz YZXNJERQGORDES-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CCc2cccs2)CC1 ZINC001380315042 1347586280 /nfs/dbraw/zinc/58/62/80/1347586280.db2.gz PQUXPJFYFWCGRD-UHFFFAOYSA-N 1 3 337.533 2.603 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001380321182 1347591530 /nfs/dbraw/zinc/59/15/30/1347591530.db2.gz ZRGGMNLMODYSFR-SFHVURJKSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C)C1 ZINC001380416681 1347657141 /nfs/dbraw/zinc/65/71/41/1347657141.db2.gz BQPNRERHOHRALL-FQEVSTJZSA-N 1 3 331.504 2.665 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001380423762 1347661617 /nfs/dbraw/zinc/66/16/17/1347661617.db2.gz OTRHXZHCGWZJBZ-FQEVSTJZSA-N 1 3 340.471 2.597 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)CCC1 ZINC001380694323 1347818692 /nfs/dbraw/zinc/81/86/92/1347818692.db2.gz XUFRSEKFAWPYHM-BCDXTJNWSA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)CCC1 ZINC001380694323 1347818694 /nfs/dbraw/zinc/81/86/94/1347818694.db2.gz XUFRSEKFAWPYHM-BCDXTJNWSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001380698192 1347820207 /nfs/dbraw/zinc/82/02/07/1347820207.db2.gz PHGCTUXZTIJJFY-YMVWIMJXSA-N 1 3 337.552 2.885 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1)N(C)C ZINC001380779451 1347870156 /nfs/dbraw/zinc/87/01/56/1347870156.db2.gz GYGMTZBPUUBILP-HNAYVOBHSA-N 1 3 331.504 2.950 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2ncccc2C)CC1 ZINC001394006264 1357378139 /nfs/dbraw/zinc/37/81/39/1357378139.db2.gz LWTMXQDOJMBKNU-UHFFFAOYSA-N 1 3 346.519 2.591 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001380857906 1347917948 /nfs/dbraw/zinc/91/79/48/1347917948.db2.gz CBGYACXALXBPHB-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001380859466 1347919405 /nfs/dbraw/zinc/91/94/05/1347919405.db2.gz ILHFBXBSXRFCTC-UHFFFAOYSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCC1)N(C)C ZINC001380895443 1347942657 /nfs/dbraw/zinc/94/26/57/1347942657.db2.gz OAJLSLNTJAKLCV-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC001380931899 1347964339 /nfs/dbraw/zinc/96/43/39/1347964339.db2.gz OYCNPAHWSGXJEW-GOSISDBHSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001380931899 1347964341 /nfs/dbraw/zinc/96/43/41/1347964341.db2.gz OYCNPAHWSGXJEW-GOSISDBHSA-N 1 3 329.488 2.642 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001380968471 1347992330 /nfs/dbraw/zinc/99/23/30/1347992330.db2.gz WOHMKOUYGFBQBE-SFHVURJKSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001380968471 1347992334 /nfs/dbraw/zinc/99/23/34/1347992334.db2.gz WOHMKOUYGFBQBE-SFHVURJKSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001381120971 1348090237 /nfs/dbraw/zinc/09/02/37/1348090237.db2.gz CPXPZPDHYOSKIS-GOEBONIOSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001381121472 1348090681 /nfs/dbraw/zinc/09/06/81/1348090681.db2.gz DVMGWCCMVOFUCO-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001381123079 1348091811 /nfs/dbraw/zinc/09/18/11/1348091811.db2.gz KTLORSUPHHNRRC-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccccc1F ZINC001381165299 1348114874 /nfs/dbraw/zinc/11/48/74/1348114874.db2.gz BFUFFUFQYQIERD-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccccc1F ZINC001381165300 1348114951 /nfs/dbraw/zinc/11/49/51/1348114951.db2.gz BFUFFUFQYQIERD-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1CCc1cccs1 ZINC001381171298 1348119214 /nfs/dbraw/zinc/11/92/14/1348119214.db2.gz OZDXFAQNZYIUDT-JKSUJKDBSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1CCc1cccs1 ZINC001381171298 1348119217 /nfs/dbraw/zinc/11/92/17/1348119217.db2.gz OZDXFAQNZYIUDT-JKSUJKDBSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381534846 1348337119 /nfs/dbraw/zinc/33/71/19/1348337119.db2.gz RXLGGOQIYOFAMO-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381534846 1348337121 /nfs/dbraw/zinc/33/71/21/1348337121.db2.gz RXLGGOQIYOFAMO-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381534841 1348337457 /nfs/dbraw/zinc/33/74/57/1348337457.db2.gz RXLGGOQIYOFAMO-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381534841 1348337461 /nfs/dbraw/zinc/33/74/61/1348337461.db2.gz RXLGGOQIYOFAMO-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001381538312 1348340141 /nfs/dbraw/zinc/34/01/41/1348340141.db2.gz ULCMCAOYPNPJHL-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001381538312 1348340144 /nfs/dbraw/zinc/34/01/44/1348340144.db2.gz ULCMCAOYPNPJHL-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381540735 1348342247 /nfs/dbraw/zinc/34/22/47/1348342247.db2.gz ZUGBYYVRDVQXDC-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381540735 1348342249 /nfs/dbraw/zinc/34/22/49/1348342249.db2.gz ZUGBYYVRDVQXDC-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001381805811 1348538950 /nfs/dbraw/zinc/53/89/50/1348538950.db2.gz NLBJOJPMJGGYQZ-AWEZNQCLSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001381823594 1348552685 /nfs/dbraw/zinc/55/26/85/1348552685.db2.gz OHHJXQUFSAYFLN-FXAWDEMLSA-N 1 3 345.531 2.826 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC001381977413 1348634606 /nfs/dbraw/zinc/63/46/06/1348634606.db2.gz YMDZYRNIUQGWEH-FXVWLTTGSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC001381977413 1348634610 /nfs/dbraw/zinc/63/46/10/1348634610.db2.gz YMDZYRNIUQGWEH-FXVWLTTGSA-N 1 3 341.499 2.717 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001382125986 1348746259 /nfs/dbraw/zinc/74/62/59/1348746259.db2.gz DFBLUFZWXKZHTH-LRDDRELGSA-N 1 3 343.874 2.756 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001382163768 1348785828 /nfs/dbraw/zinc/78/58/28/1348785828.db2.gz WYBJCSZUTQGBSD-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001382583682 1349032287 /nfs/dbraw/zinc/03/22/87/1349032287.db2.gz SPJGQQSKNKSMFO-GPANFISMSA-N 1 3 345.478 2.731 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001382588815 1349035672 /nfs/dbraw/zinc/03/56/72/1349035672.db2.gz KMBZWXGQQKGICZ-RWBZWWBESA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCc1ccccc1 ZINC001394171773 1357545666 /nfs/dbraw/zinc/54/56/66/1357545666.db2.gz JOXNLDGLHGSYRU-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CCCC3CCC3)CC2)C1 ZINC001394390208 1357763101 /nfs/dbraw/zinc/76/31/01/1357763101.db2.gz LESYCLJUZQFTQP-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCCC3CCC3)CC2)C1 ZINC001394390208 1357763105 /nfs/dbraw/zinc/76/31/05/1357763105.db2.gz LESYCLJUZQFTQP-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC([C@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001394229692 1357620325 /nfs/dbraw/zinc/62/03/25/1357620325.db2.gz QSBOVUPTIRUYIA-IRXDYDNUSA-N 1 3 343.515 2.977 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001394251752 1357639139 /nfs/dbraw/zinc/63/91/39/1357639139.db2.gz QOKMAEDFXJJNRB-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001394253185 1357641173 /nfs/dbraw/zinc/64/11/73/1357641173.db2.gz QGOUYNKQCVSVEH-FXAWDEMLSA-N 1 3 345.531 2.642 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CCCCCC1 ZINC001420439528 1376977006 /nfs/dbraw/zinc/97/70/06/1376977006.db2.gz ZSCMYPSKXFVNOA-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001394260868 1357647495 /nfs/dbraw/zinc/64/74/95/1357647495.db2.gz HUUVVGOJERIZEL-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001394260868 1357647500 /nfs/dbraw/zinc/64/75/00/1357647500.db2.gz HUUVVGOJERIZEL-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001388663530 1352904813 /nfs/dbraw/zinc/90/48/13/1352904813.db2.gz BBVRDZAYJHMQEA-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001388696022 1352928314 /nfs/dbraw/zinc/92/83/14/1352928314.db2.gz ABAPDULWEZTMLL-HQRMLTQVSA-N 1 3 343.515 2.890 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001388700218 1352931089 /nfs/dbraw/zinc/93/10/89/1352931089.db2.gz WAMKJWXOOZHUJP-CEXWTWQISA-N 1 3 331.504 2.574 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1)N(C)C ZINC001388722513 1352950449 /nfs/dbraw/zinc/95/04/49/1352950449.db2.gz PHBBSWKHBSSMGX-YWTNHNAXSA-N 1 3 331.504 2.881 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001388726501 1352954332 /nfs/dbraw/zinc/95/43/32/1352954332.db2.gz OFDGKZPIDIZZBO-LBNSPJENSA-N 1 3 341.499 2.526 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001388734671 1352961709 /nfs/dbraw/zinc/96/17/09/1352961709.db2.gz FMQQDQTYKCFXGD-WGSAOQKQSA-N 1 3 331.504 2.630 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001388736246 1352963332 /nfs/dbraw/zinc/96/33/32/1352963332.db2.gz OPCXFPCIBOXRFG-GUDVDZBRSA-N 1 3 331.504 2.566 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001388766004 1352990759 /nfs/dbraw/zinc/99/07/59/1352990759.db2.gz ZRKVCEQCPLFDDD-RDTXFTJFSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C/Cl)CC2 ZINC001388766004 1352990761 /nfs/dbraw/zinc/99/07/61/1352990761.db2.gz ZRKVCEQCPLFDDD-RDTXFTJFSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001389341908 1353317075 /nfs/dbraw/zinc/31/70/75/1353317075.db2.gz IBLVQIWNPUCWBT-WMLDXEAASA-N 1 3 346.500 2.616 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001389465045 1353409326 /nfs/dbraw/zinc/40/93/26/1353409326.db2.gz WWTSFVDVYJTCHV-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001389465045 1353409330 /nfs/dbraw/zinc/40/93/30/1353409330.db2.gz WWTSFVDVYJTCHV-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001389504457 1353436827 /nfs/dbraw/zinc/43/68/27/1353436827.db2.gz XTRLRMXUUPNHJT-SFHVURJKSA-N 1 3 331.504 2.842 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001389504457 1353436831 /nfs/dbraw/zinc/43/68/31/1353436831.db2.gz XTRLRMXUUPNHJT-SFHVURJKSA-N 1 3 331.504 2.842 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H](NCc2ccccc2Cl)C2CC2)CC1 ZINC001389665438 1353539900 /nfs/dbraw/zinc/53/99/00/1353539900.db2.gz UHVDEIXYENGJRU-QGZVFWFLSA-N 1 3 349.906 2.666 20 0 EFADHO CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001389724990 1353582499 /nfs/dbraw/zinc/58/24/99/1353582499.db2.gz FEUIUIYSDSZRHA-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001389724990 1353582502 /nfs/dbraw/zinc/58/25/02/1353582502.db2.gz FEUIUIYSDSZRHA-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)C1)CC(C)(C)C ZINC001389799387 1353625345 /nfs/dbraw/zinc/62/53/45/1353625345.db2.gz DQHLKOMOXWRNCN-KRWDZBQOSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001389867163 1353655978 /nfs/dbraw/zinc/65/59/78/1353655978.db2.gz HEVYBNYYRKPHFV-PSBWJHGTSA-N 1 3 329.488 2.641 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001389907873 1353681757 /nfs/dbraw/zinc/68/17/57/1353681757.db2.gz PJLATGUMXMTQMY-QAQDUYKDSA-N 1 3 349.906 2.953 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001390027703 1353750524 /nfs/dbraw/zinc/75/05/24/1353750524.db2.gz BNMQWHFOBBSLDY-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001390027703 1353750527 /nfs/dbraw/zinc/75/05/27/1353750527.db2.gz BNMQWHFOBBSLDY-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001390046868 1353764963 /nfs/dbraw/zinc/76/49/63/1353764963.db2.gz VBFWLAXJWXGZFA-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001390046868 1353764966 /nfs/dbraw/zinc/76/49/66/1353764966.db2.gz VBFWLAXJWXGZFA-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC001390072957 1353784604 /nfs/dbraw/zinc/78/46/04/1353784604.db2.gz RTHKKUIOUYDCHN-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]21)[NH+](C)C ZINC001390224249 1353934136 /nfs/dbraw/zinc/93/41/36/1353934136.db2.gz VZWYABSSGWBDHT-XYYYAOKXSA-N 1 3 347.478 2.519 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001390477375 1354111494 /nfs/dbraw/zinc/11/14/94/1354111494.db2.gz HVMVIBYNNMNPBR-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCc3ccccc3)C2)CCC1 ZINC001390603747 1354199361 /nfs/dbraw/zinc/19/93/61/1354199361.db2.gz AJXOWRGOSZCHTJ-OALUTQOASA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001390612682 1354208348 /nfs/dbraw/zinc/20/83/48/1354208348.db2.gz RNXMSPKGOAFCTH-IBGZPJMESA-N 1 3 331.504 2.716 20 0 EFADHO CC(C)[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001390612693 1354208592 /nfs/dbraw/zinc/20/85/92/1354208592.db2.gz RNXMSPKGOAFCTH-LJQANCHMSA-N 1 3 331.504 2.716 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001390712115 1354303685 /nfs/dbraw/zinc/30/36/85/1354303685.db2.gz LKBIEORVRGOMPH-YOEHRIQHSA-N 1 3 339.911 2.911 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001390779218 1354366857 /nfs/dbraw/zinc/36/68/57/1354366857.db2.gz FNCIEGQALBZKAQ-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001390779218 1354366862 /nfs/dbraw/zinc/36/68/62/1354366862.db2.gz FNCIEGQALBZKAQ-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390819958 1354406235 /nfs/dbraw/zinc/40/62/35/1354406235.db2.gz QPZVVGPRUQCDAA-YJBOKZPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390819958 1354406237 /nfs/dbraw/zinc/40/62/37/1354406237.db2.gz QPZVVGPRUQCDAA-YJBOKZPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847367 1354430798 /nfs/dbraw/zinc/43/07/98/1354430798.db2.gz NLBISZSNHPDMKX-XJKSGUPXSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847367 1354430796 /nfs/dbraw/zinc/43/07/96/1354430796.db2.gz NLBISZSNHPDMKX-XJKSGUPXSA-N 1 3 325.884 2.789 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCc1ccccc1C ZINC001390861456 1354443985 /nfs/dbraw/zinc/44/39/85/1354443985.db2.gz GVVGAPDOVACYDH-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCc1ccccc1C ZINC001390861456 1354443987 /nfs/dbraw/zinc/44/39/87/1354443987.db2.gz GVVGAPDOVACYDH-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001391059286 1354747489 /nfs/dbraw/zinc/74/74/89/1354747489.db2.gz HHJDHDAWWLGXRI-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001391059286 1354747492 /nfs/dbraw/zinc/74/74/92/1354747492.db2.gz HHJDHDAWWLGXRI-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391090835 1354783235 /nfs/dbraw/zinc/78/32/35/1354783235.db2.gz AVEZHMIPEZYTGI-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391090835 1354783237 /nfs/dbraw/zinc/78/32/37/1354783237.db2.gz AVEZHMIPEZYTGI-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCCc3ccccc3)C2)CCC1 ZINC001391098408 1354792413 /nfs/dbraw/zinc/79/24/13/1354792413.db2.gz PCXKNRNVQHMPNL-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCCc3ccccc3)C2)CCC1 ZINC001391098408 1354792417 /nfs/dbraw/zinc/79/24/17/1354792417.db2.gz PCXKNRNVQHMPNL-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391100715 1354794993 /nfs/dbraw/zinc/79/49/93/1354794993.db2.gz VVJXDNCPVBLNJT-VQTJNVASSA-N 1 3 345.531 2.562 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391100715 1354794997 /nfs/dbraw/zinc/79/49/97/1354794997.db2.gz VVJXDNCPVBLNJT-VQTJNVASSA-N 1 3 345.531 2.562 20 0 EFADHO CCCc1ccc(C[N@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cc1 ZINC001391157476 1354881759 /nfs/dbraw/zinc/88/17/59/1354881759.db2.gz UYHZKGIWMRAYBF-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CCCc1ccc(C[N@@H+](CCNC(=O)[C@@H]2CCCN2C)C2CC2)cc1 ZINC001391157476 1354881764 /nfs/dbraw/zinc/88/17/64/1354881764.db2.gz UYHZKGIWMRAYBF-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccccc1CN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001391163473 1354888078 /nfs/dbraw/zinc/88/80/78/1354888078.db2.gz AMPKBXALIQCYFD-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001391180796 1354908827 /nfs/dbraw/zinc/90/88/27/1354908827.db2.gz ARXJTBBGLAHZAK-FAFZWHIHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001391180796 1354908833 /nfs/dbraw/zinc/90/88/33/1354908833.db2.gz ARXJTBBGLAHZAK-FAFZWHIHSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001391200399 1354928893 /nfs/dbraw/zinc/92/88/93/1354928893.db2.gz VBQSYAYYALPJAR-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391200399 1354928897 /nfs/dbraw/zinc/92/88/97/1354928897.db2.gz VBQSYAYYALPJAR-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001391201814 1354929745 /nfs/dbraw/zinc/92/97/45/1354929745.db2.gz UECXKYQXTGDBAW-INIZCTEOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001391201814 1354929748 /nfs/dbraw/zinc/92/97/48/1354929748.db2.gz UECXKYQXTGDBAW-INIZCTEOSA-N 1 3 345.478 2.733 20 0 EFADHO CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001391243376 1354966619 /nfs/dbraw/zinc/96/66/19/1354966619.db2.gz YDVRQXKLQYYPPB-YJBOKZPZSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391320131 1355069061 /nfs/dbraw/zinc/06/90/61/1355069061.db2.gz SGAJSPXEONQKCX-OALUTQOASA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391320131 1355069064 /nfs/dbraw/zinc/06/90/64/1355069064.db2.gz SGAJSPXEONQKCX-OALUTQOASA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001391321999 1355071934 /nfs/dbraw/zinc/07/19/34/1355071934.db2.gz WPZITCOCCXCYRP-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001391321999 1355071937 /nfs/dbraw/zinc/07/19/37/1355071937.db2.gz WPZITCOCCXCYRP-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001391345140 1355102355 /nfs/dbraw/zinc/10/23/55/1355102355.db2.gz VTOXOBILMZTPRC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001391345140 1355102359 /nfs/dbraw/zinc/10/23/59/1355102359.db2.gz VTOXOBILMZTPRC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001391385349 1355155770 /nfs/dbraw/zinc/15/57/70/1355155770.db2.gz ZQYGIPATMVYCHR-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C)C1 ZINC001391385349 1355155772 /nfs/dbraw/zinc/15/57/72/1355155772.db2.gz ZQYGIPATMVYCHR-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001391475548 1355227764 /nfs/dbraw/zinc/22/77/64/1355227764.db2.gz JKPVGEQYLWMXKJ-VQIMIIECSA-N 1 3 349.494 2.784 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391523117 1355273402 /nfs/dbraw/zinc/27/34/02/1355273402.db2.gz IYBFFKQNNZPCII-SFHVURJKSA-N 1 3 343.515 2.980 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001391536121 1355285320 /nfs/dbraw/zinc/28/53/20/1355285320.db2.gz JLLHSXFJHDHHDO-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001391536121 1355285324 /nfs/dbraw/zinc/28/53/24/1355285324.db2.gz JLLHSXFJHDHHDO-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001391562389 1355307876 /nfs/dbraw/zinc/30/78/76/1355307876.db2.gz ULOFOZVDVWBBKP-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001399413106 1361205044 /nfs/dbraw/zinc/20/50/44/1361205044.db2.gz INXURZKZEYIKTJ-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001399487288 1361269622 /nfs/dbraw/zinc/26/96/22/1361269622.db2.gz WZCUSYZSYMTSAA-MOPGFXCFSA-N 1 3 349.494 2.792 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001399487288 1361269624 /nfs/dbraw/zinc/26/96/24/1361269624.db2.gz WZCUSYZSYMTSAA-MOPGFXCFSA-N 1 3 349.494 2.792 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001399487298 1361270162 /nfs/dbraw/zinc/27/01/62/1361270162.db2.gz WZCUSYZSYMTSAA-RBUKOAKNSA-N 1 3 349.494 2.792 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001399487298 1361270167 /nfs/dbraw/zinc/27/01/67/1361270167.db2.gz WZCUSYZSYMTSAA-RBUKOAKNSA-N 1 3 349.494 2.792 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001391631953 1355377637 /nfs/dbraw/zinc/37/76/37/1355377637.db2.gz NYLFJZNNKAPBSW-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001391690264 1355437359 /nfs/dbraw/zinc/43/73/59/1355437359.db2.gz HPEKWIKVBVBDRK-SFHVURJKSA-N 1 3 331.504 2.936 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(F)cc1C ZINC001399812090 1361512249 /nfs/dbraw/zinc/51/22/49/1361512249.db2.gz ZVIQDJXCZBBYBN-GOSISDBHSA-N 1 3 337.483 2.658 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cc2ccccc2o1 ZINC001391717841 1355460776 /nfs/dbraw/zinc/46/07/76/1355460776.db2.gz LCHAADLULOOGEX-MRXNPFEDSA-N 1 3 343.471 2.759 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001391719772 1355463168 /nfs/dbraw/zinc/46/31/68/1355463168.db2.gz JOYMAVGWFCVYJW-GDBMZVCRSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399907003 1361568461 /nfs/dbraw/zinc/56/84/61/1361568461.db2.gz DCLTWEAKSAXJLZ-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399907003 1361568465 /nfs/dbraw/zinc/56/84/65/1361568465.db2.gz DCLTWEAKSAXJLZ-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1ccns1 ZINC001391741518 1355486807 /nfs/dbraw/zinc/48/68/07/1355486807.db2.gz NATXCGKYFFKCEC-MRXNPFEDSA-N 1 3 346.500 2.503 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)Cc1ccccc1 ZINC001399981398 1361635536 /nfs/dbraw/zinc/63/55/36/1361635536.db2.gz VKGMJVBLKQYKIE-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)Cc1ccccc1 ZINC001399981398 1361635539 /nfs/dbraw/zinc/63/55/39/1361635539.db2.gz VKGMJVBLKQYKIE-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]CC=C(Cl)Cl)CC1)C1CCC1 ZINC001391821206 1355565441 /nfs/dbraw/zinc/56/54/41/1355565441.db2.gz OAKQNJXSGNWSLL-JOCQHMNTSA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001391826664 1355570107 /nfs/dbraw/zinc/57/01/07/1355570107.db2.gz MZMSFUOCSKDXPY-AVGNSLFASA-N 1 3 336.307 2.663 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1)CC(C)(C)C ZINC001391840172 1355583145 /nfs/dbraw/zinc/58/31/45/1355583145.db2.gz RUOULAFZYUKYKN-UHFFFAOYSA-N 1 3 331.504 2.780 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001391848707 1355592616 /nfs/dbraw/zinc/59/26/16/1355592616.db2.gz UZGDFBQUIHXPKT-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001391948503 1355672405 /nfs/dbraw/zinc/67/24/05/1355672405.db2.gz IJPDGPZAYQALKI-DGCLKSJQSA-N 1 3 331.913 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001392006792 1355710751 /nfs/dbraw/zinc/71/07/51/1355710751.db2.gz CZYAMQFFDABZTM-DAWZGUTISA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392070302 1355747462 /nfs/dbraw/zinc/74/74/62/1355747462.db2.gz GCDSHZXJNZIHLS-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392079105 1355753763 /nfs/dbraw/zinc/75/37/63/1355753763.db2.gz RYHFITCVHMCVLD-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001392178601 1355832392 /nfs/dbraw/zinc/83/23/92/1355832392.db2.gz IZXBGFYKCUWLBA-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001392178603 1355832426 /nfs/dbraw/zinc/83/24/26/1355832426.db2.gz IZXBGFYKCUWLBA-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](NCC=C(Cl)Cl)C(C)C)[NH+](C)C ZINC001392242018 1355898301 /nfs/dbraw/zinc/89/83/01/1355898301.db2.gz FNCRTVXZLJXRGE-TZMCWYRMSA-N 1 3 338.323 2.622 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001436694305 1387283118 /nfs/dbraw/zinc/28/31/18/1387283118.db2.gz GOEJVBFZMCUCRC-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001436694305 1387283122 /nfs/dbraw/zinc/28/31/22/1387283122.db2.gz GOEJVBFZMCUCRC-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001392277400 1355932826 /nfs/dbraw/zinc/93/28/26/1355932826.db2.gz OSWGDJSXEICLFE-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001392277400 1355932830 /nfs/dbraw/zinc/93/28/30/1355932830.db2.gz OSWGDJSXEICLFE-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001392359014 1356016448 /nfs/dbraw/zinc/01/64/48/1356016448.db2.gz XAXXVLDEVLPUAJ-WMZOPIPTSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001392442030 1356040569 /nfs/dbraw/zinc/04/05/69/1356040569.db2.gz JQAQJKVYXGNEIJ-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001392442017 1356040667 /nfs/dbraw/zinc/04/06/67/1356040667.db2.gz JQAQJKVYXGNEIJ-KBXCAEBGSA-N 1 3 335.467 2.639 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001392445399 1356044154 /nfs/dbraw/zinc/04/41/54/1356044154.db2.gz QPEZFYBLBMXSON-GJZGRUSLSA-N 1 3 328.460 2.815 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001392455178 1356049515 /nfs/dbraw/zinc/04/95/15/1356049515.db2.gz RPFLMMVFLAKURO-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001392461286 1356052931 /nfs/dbraw/zinc/05/29/31/1356052931.db2.gz PKHANISSCLKASW-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001392480844 1356065414 /nfs/dbraw/zinc/06/54/14/1356065414.db2.gz NNDWJZDVAPSSRX-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001392526064 1356099523 /nfs/dbraw/zinc/09/95/23/1356099523.db2.gz SDKZWGUDTRMMFG-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001392505218 1356082614 /nfs/dbraw/zinc/08/26/14/1356082614.db2.gz ONGGTVAQTZKXCN-DNVCBOLYSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001401117488 1362454590 /nfs/dbraw/zinc/45/45/90/1362454590.db2.gz HZWQHFWVFANVEC-BEFAXECRSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001401117494 1362454976 /nfs/dbraw/zinc/45/49/76/1362454976.db2.gz HZWQHFWVFANVEC-HNAYVOBHSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392567226 1356125735 /nfs/dbraw/zinc/12/57/35/1356125735.db2.gz ILURIYOFTKKPLG-INIZCTEOSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001392687184 1356236922 /nfs/dbraw/zinc/23/69/22/1356236922.db2.gz QFHRWNHRQVEAEY-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001392687184 1356236926 /nfs/dbraw/zinc/23/69/26/1356236926.db2.gz QFHRWNHRQVEAEY-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001392687178 1356237150 /nfs/dbraw/zinc/23/71/50/1356237150.db2.gz QFHRWNHRQVEAEY-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001392687178 1356237156 /nfs/dbraw/zinc/23/71/56/1356237156.db2.gz QFHRWNHRQVEAEY-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392688839 1356239930 /nfs/dbraw/zinc/23/99/30/1356239930.db2.gz IUXDSNFGQQMPMW-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001392712222 1356265022 /nfs/dbraw/zinc/26/50/22/1356265022.db2.gz QIVZXXHJVRBJKX-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001392712222 1356265023 /nfs/dbraw/zinc/26/50/23/1356265023.db2.gz QIVZXXHJVRBJKX-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001392712221 1356265798 /nfs/dbraw/zinc/26/57/98/1356265798.db2.gz QIVZXXHJVRBJKX-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001392712221 1356265801 /nfs/dbraw/zinc/26/58/01/1356265801.db2.gz QIVZXXHJVRBJKX-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392718628 1356273534 /nfs/dbraw/zinc/27/35/34/1356273534.db2.gz DXAXFNRGTCHTSN-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392718628 1356273538 /nfs/dbraw/zinc/27/35/38/1356273538.db2.gz DXAXFNRGTCHTSN-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001392773999 1356315399 /nfs/dbraw/zinc/31/53/99/1356315399.db2.gz LRWGFZCBEIOSSJ-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001392773994 1356315470 /nfs/dbraw/zinc/31/54/70/1356315470.db2.gz LRWGFZCBEIOSSJ-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)NC(=O)CN(C)C1CCC1 ZINC001401627987 1362982082 /nfs/dbraw/zinc/98/20/82/1362982082.db2.gz VHVNSXCVTBVDQG-FZKQIMNGSA-N 1 3 349.906 2.906 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001392991843 1356496844 /nfs/dbraw/zinc/49/68/44/1356496844.db2.gz NZYYDYYULRWOHD-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3C)C2)C1 ZINC001392991843 1356496847 /nfs/dbraw/zinc/49/68/47/1356496847.db2.gz NZYYDYYULRWOHD-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001393061223 1356547723 /nfs/dbraw/zinc/54/77/23/1356547723.db2.gz FIPODYRFVGWVFB-SFHVURJKSA-N 1 3 349.494 2.837 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001402047329 1363357478 /nfs/dbraw/zinc/35/74/78/1363357478.db2.gz YZSSMSXXCHIUIF-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001402073557 1363378663 /nfs/dbraw/zinc/37/86/63/1363378663.db2.gz BLJPFUMLLVLOBJ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001393119192 1356619288 /nfs/dbraw/zinc/61/92/88/1356619288.db2.gz GSPHVHAODLIKGZ-UYAOXDASSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001393119192 1356619291 /nfs/dbraw/zinc/61/92/91/1356619291.db2.gz GSPHVHAODLIKGZ-UYAOXDASSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001393121169 1356622534 /nfs/dbraw/zinc/62/25/34/1356622534.db2.gz KTLWKAKARPTEAQ-WUQYLLKWSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001393121169 1356622540 /nfs/dbraw/zinc/62/25/40/1356622540.db2.gz KTLWKAKARPTEAQ-WUQYLLKWSA-N 1 3 329.488 2.622 20 0 EFADHO CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001393155787 1356660882 /nfs/dbraw/zinc/66/08/82/1356660882.db2.gz FGNPDNPSPSLOGT-LBXVMSDZSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1)N(C)C ZINC001393592535 1356972558 /nfs/dbraw/zinc/97/25/58/1356972558.db2.gz GDVJEYQJDDLNAN-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1)N(C)C ZINC001393592535 1356972562 /nfs/dbraw/zinc/97/25/62/1356972562.db2.gz GDVJEYQJDDLNAN-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO CCc1cccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001393630991 1357025936 /nfs/dbraw/zinc/02/59/36/1357025936.db2.gz AKGZTRZEAHPFIZ-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001393630991 1357025940 /nfs/dbraw/zinc/02/59/40/1357025940.db2.gz AKGZTRZEAHPFIZ-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CCC(F)(F)F)CC2)CC1 ZINC001394393430 1357767125 /nfs/dbraw/zinc/76/71/25/1357767125.db2.gz CGOVYVDCVHDNGU-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CCC(F)(F)F)CC2)CC1 ZINC001394393430 1357767127 /nfs/dbraw/zinc/76/71/27/1357767127.db2.gz CGOVYVDCVHDNGU-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCc2ccccc2F)CC1 ZINC001394398415 1357773930 /nfs/dbraw/zinc/77/39/30/1357773930.db2.gz JPZSRYUKBJFSSV-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCc2ccccc2F)CC1 ZINC001394398415 1357773931 /nfs/dbraw/zinc/77/39/31/1357773931.db2.gz JPZSRYUKBJFSSV-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](CNCc1ccccc1F)C1CC1)[NH+](C)C ZINC001394444006 1357824091 /nfs/dbraw/zinc/82/40/91/1357824091.db2.gz OGESEVPFFWGPEE-RBUKOAKNSA-N 1 3 349.494 2.739 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001394450281 1357831537 /nfs/dbraw/zinc/83/15/37/1357831537.db2.gz NXCRBRINQLUPLS-LJQANCHMSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1 ZINC001436791144 1387298835 /nfs/dbraw/zinc/29/88/35/1387298835.db2.gz LTFYMLHDTBYJKB-YJBOKZPZSA-N 1 3 329.488 2.716 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)s1 ZINC001436790614 1387298887 /nfs/dbraw/zinc/29/88/87/1387298887.db2.gz PBRCNWNIYJZRFS-GOSISDBHSA-N 1 3 349.544 2.834 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC001394666169 1357984947 /nfs/dbraw/zinc/98/49/47/1357984947.db2.gz FQIUKOMAKNEDRK-DOTOQJQBSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1F ZINC001436882976 1387336071 /nfs/dbraw/zinc/33/60/71/1387336071.db2.gz IUBRAMVUNMQGLR-IRXDYDNUSA-N 1 3 347.478 2.953 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)N1CCCCCC1 ZINC001397095009 1359672160 /nfs/dbraw/zinc/67/21/60/1359672160.db2.gz GRRYDVBDSNYARI-NXANPBQISA-N 1 3 335.536 2.781 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001397134371 1359696920 /nfs/dbraw/zinc/69/69/20/1359696920.db2.gz KRVLHXLCEFJTAM-VAMGGRTRSA-N 1 3 345.531 2.820 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001397138058 1359699318 /nfs/dbraw/zinc/69/93/18/1359699318.db2.gz AKHWSXZGCGVFPY-GENKUXQMSA-N 1 3 335.879 2.599 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001397600696 1359993364 /nfs/dbraw/zinc/99/33/64/1359993364.db2.gz BSXZCKNDIRNDIH-ZIFCJYIRSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001397619058 1360007526 /nfs/dbraw/zinc/00/75/26/1360007526.db2.gz QKIBLLXUTFSWPF-QILLFSRXSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001397652436 1360027586 /nfs/dbraw/zinc/02/75/86/1360027586.db2.gz RJJBJRDFAPMKRC-RZDIXWSQSA-N 1 3 347.478 2.603 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398465092 1360583192 /nfs/dbraw/zinc/58/31/92/1360583192.db2.gz NXFSECFLDMAKEY-SKHCZCESSA-N 1 3 341.927 2.785 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001398534840 1360631183 /nfs/dbraw/zinc/63/11/83/1360631183.db2.gz GZYJDWMKDIPBDL-FHWLQOOXSA-N 1 3 331.504 2.572 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001398571226 1360651001 /nfs/dbraw/zinc/65/10/01/1360651001.db2.gz XOGBVCJTNFFUJW-STECZYCISA-N 1 3 337.895 2.978 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001398571230 1360651076 /nfs/dbraw/zinc/65/10/76/1360651076.db2.gz XOGBVCJTNFFUJW-YYQUZTFQSA-N 1 3 337.895 2.978 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001437235871 1387488750 /nfs/dbraw/zinc/48/87/50/1387488750.db2.gz KOVKEYOQUQBPJP-BEFAXECRSA-N 1 3 327.472 2.774 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001399252925 1361100982 /nfs/dbraw/zinc/10/09/82/1361100982.db2.gz QQXYBAXZFSWFOL-MKRLJBPISA-N 1 3 348.318 2.620 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001399253293 1361100939 /nfs/dbraw/zinc/10/09/39/1361100939.db2.gz FFBQHMBAUDMFLG-CHWSQXEVSA-N 1 3 348.318 2.807 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001399252915 1361101065 /nfs/dbraw/zinc/10/10/65/1361101065.db2.gz QQXYBAXZFSWFOL-GWQWUEFDSA-N 1 3 348.318 2.620 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001399255779 1361102993 /nfs/dbraw/zinc/10/29/93/1361102993.db2.gz BDAJMNQKGFGXFA-QZTJIDSGSA-N 1 3 349.494 2.993 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001399265368 1361108559 /nfs/dbraw/zinc/10/85/59/1361108559.db2.gz QJOGKZVHVKOJEM-HOTGVXAUSA-N 1 3 349.544 2.792 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001399274584 1361116531 /nfs/dbraw/zinc/11/65/31/1361116531.db2.gz WVGGXBKLKLFDTQ-SJORKVTESA-N 1 3 346.519 2.577 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001399582912 1361351101 /nfs/dbraw/zinc/35/11/01/1361351101.db2.gz YJVQNMLGJWCURY-UHFFFAOYSA-N 1 3 331.504 2.529 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C2CCCC2)cc1 ZINC001399655943 1361408550 /nfs/dbraw/zinc/40/85/50/1361408550.db2.gz NZFZRWUMHFRNQO-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C2CCCC2)cc1 ZINC001399655943 1361408551 /nfs/dbraw/zinc/40/85/51/1361408551.db2.gz NZFZRWUMHFRNQO-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)c1ccccc1F ZINC001437259999 1387513228 /nfs/dbraw/zinc/51/32/28/1387513228.db2.gz HAAPRCHQUMQMFM-HOTGVXAUSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@@H](C)c1ccccc1F ZINC001437259997 1387513679 /nfs/dbraw/zinc/51/36/79/1387513679.db2.gz HAAPRCHQUMQMFM-CVEARBPZSA-N 1 3 335.467 2.857 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1cccc2cccnc21)N(C)C ZINC001399721549 1361454298 /nfs/dbraw/zinc/45/42/98/1361454298.db2.gz MXFYWRXJMICVAB-GOSISDBHSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1cccc2cccnc21)N(C)C ZINC001399721549 1361454300 /nfs/dbraw/zinc/45/43/00/1361454300.db2.gz MXFYWRXJMICVAB-GOSISDBHSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc2c(c1)CCC2 ZINC001399808150 1361509701 /nfs/dbraw/zinc/50/97/01/1361509701.db2.gz JSXBNLDSQIJJGQ-FQEVSTJZSA-N 1 3 345.531 2.700 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc2c(c1)CCC2 ZINC001399808150 1361509706 /nfs/dbraw/zinc/50/97/06/1361509706.db2.gz JSXBNLDSQIJJGQ-FQEVSTJZSA-N 1 3 345.531 2.700 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001399809389 1361510166 /nfs/dbraw/zinc/51/01/66/1361510166.db2.gz KCGFCBVAJXJGIT-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001399809389 1361510171 /nfs/dbraw/zinc/51/01/71/1361510171.db2.gz KCGFCBVAJXJGIT-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)c1cccc(Cl)c1 ZINC001399829155 1361522281 /nfs/dbraw/zinc/52/22/81/1361522281.db2.gz QFMRQDVTFQDDGP-GDBMZVCRSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)c1cccc(Cl)c1 ZINC001399829155 1361522284 /nfs/dbraw/zinc/52/22/84/1361522284.db2.gz QFMRQDVTFQDDGP-GDBMZVCRSA-N 1 3 337.895 2.791 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001399865698 1361536627 /nfs/dbraw/zinc/53/66/27/1361536627.db2.gz HYUAKYGKIXVPFF-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909260 1361569242 /nfs/dbraw/zinc/56/92/42/1361569242.db2.gz ICMKJPGUNFREJY-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909260 1361569246 /nfs/dbraw/zinc/56/92/46/1361569246.db2.gz ICMKJPGUNFREJY-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959468 1361612981 /nfs/dbraw/zinc/61/29/81/1361612981.db2.gz XXONHAJCCKXVNZ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959468 1361612985 /nfs/dbraw/zinc/61/29/85/1361612985.db2.gz XXONHAJCCKXVNZ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001400002644 1361655917 /nfs/dbraw/zinc/65/59/17/1361655917.db2.gz AWUHAYABXROPEQ-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001400002644 1361655922 /nfs/dbraw/zinc/65/59/22/1361655922.db2.gz AWUHAYABXROPEQ-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001400028277 1361679171 /nfs/dbraw/zinc/67/91/71/1361679171.db2.gz LHGJVKQNKLJUII-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001400028277 1361679175 /nfs/dbraw/zinc/67/91/75/1361679175.db2.gz LHGJVKQNKLJUII-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CCc1ccccc1C[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400029239 1361680531 /nfs/dbraw/zinc/68/05/31/1361680531.db2.gz QYJOBLLOUQHEPT-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400029239 1361680534 /nfs/dbraw/zinc/68/05/34/1361680534.db2.gz QYJOBLLOUQHEPT-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CN(CC(=O)NCC[N@H+](CC1CC(F)(F)C1)C1CC1)CC(C)(C)C ZINC001400029908 1361681594 /nfs/dbraw/zinc/68/15/94/1361681594.db2.gz VEKLBGKYLXMAGF-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CN(CC(=O)NCC[N@@H+](CC1CC(F)(F)C1)C1CC1)CC(C)(C)C ZINC001400029908 1361681598 /nfs/dbraw/zinc/68/15/98/1361681598.db2.gz VEKLBGKYLXMAGF-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001400048676 1361698147 /nfs/dbraw/zinc/69/81/47/1361698147.db2.gz HXNAWIHITFZVHO-ROUUACIJSA-N 1 3 337.483 2.911 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001400062347 1361707439 /nfs/dbraw/zinc/70/74/39/1361707439.db2.gz BYIDJFXZIBQFAO-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157006 1361793202 /nfs/dbraw/zinc/79/32/02/1361793202.db2.gz VJLYJVHOYQTVFW-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157006 1361793206 /nfs/dbraw/zinc/79/32/06/1361793206.db2.gz VJLYJVHOYQTVFW-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1)CC(C)(C)C ZINC001400248461 1361883001 /nfs/dbraw/zinc/88/30/01/1361883001.db2.gz RCUNXIGAOZOFOX-TWGQIWQCSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1)CC(C)(C)C ZINC001400248461 1361883005 /nfs/dbraw/zinc/88/30/05/1361883005.db2.gz RCUNXIGAOZOFOX-TWGQIWQCSA-N 1 3 343.943 2.887 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001400520828 1362009469 /nfs/dbraw/zinc/00/94/69/1362009469.db2.gz CRZMVIWMJMEZBX-INIZCTEOSA-N 1 3 343.515 2.626 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001400688200 1362095555 /nfs/dbraw/zinc/09/55/55/1362095555.db2.gz BZFHMAZDOHYSHZ-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001400808089 1362176736 /nfs/dbraw/zinc/17/67/36/1362176736.db2.gz CWKYUMUAWHRHGZ-RHSMWYFYSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401074732 1362416509 /nfs/dbraw/zinc/41/65/09/1362416509.db2.gz MCLPQXLLSMSQNK-QVNOTHCHSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401074732 1362416513 /nfs/dbraw/zinc/41/65/13/1362416513.db2.gz MCLPQXLLSMSQNK-QVNOTHCHSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001401180215 1362515659 /nfs/dbraw/zinc/51/56/59/1362515659.db2.gz CYNUWQUUUATWQL-CABCVRRESA-N 1 3 345.478 2.638 20 0 EFADHO CN1CCCC[C@H]1C(=O)NCC1([NH2+]C/C(Cl)=C/Cl)CCCC1 ZINC001401181729 1362517308 /nfs/dbraw/zinc/51/73/08/1362517308.db2.gz GICNPUZYQFVHJB-ZVHGMHCTSA-N 1 3 348.318 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1 ZINC001401194611 1362534537 /nfs/dbraw/zinc/53/45/37/1362534537.db2.gz PEORCYRUOBORBK-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401247059 1362586071 /nfs/dbraw/zinc/58/60/71/1362586071.db2.gz NJEMKFXSODXRAD-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001401249558 1362588669 /nfs/dbraw/zinc/58/86/69/1362588669.db2.gz ZFODPBUULGEGQC-SUMWQHHRSA-N 1 3 339.549 2.888 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001401389952 1362743153 /nfs/dbraw/zinc/74/31/53/1362743153.db2.gz VFXVDTMDXBRVSK-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401623606 1362979509 /nfs/dbraw/zinc/97/95/09/1362979509.db2.gz BMPMXRISGABVJW-CHWSQXEVSA-N 1 3 339.430 2.604 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001401625060 1362980459 /nfs/dbraw/zinc/98/04/59/1362980459.db2.gz JAAOPNDAZBNHKR-HZPDHXFCSA-N 1 3 343.515 2.815 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001401679190 1363021242 /nfs/dbraw/zinc/02/12/42/1363021242.db2.gz HRJFRBRDPIESHX-DNVCBOLYSA-N 1 3 348.535 2.694 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001401684802 1363024191 /nfs/dbraw/zinc/02/41/91/1363024191.db2.gz GVOMGERJYZLYMR-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001401711064 1363044854 /nfs/dbraw/zinc/04/48/54/1363044854.db2.gz BIUPFVUUPUCPDK-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1F ZINC001401749872 1363083579 /nfs/dbraw/zinc/08/35/79/1363083579.db2.gz HBGOXWQZBOMNEY-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401775726 1363114524 /nfs/dbraw/zinc/11/45/24/1363114524.db2.gz DMJBXQXYBIXSEZ-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1)[NH+](C)C ZINC001401780753 1363120793 /nfs/dbraw/zinc/12/07/93/1363120793.db2.gz LKTWNJBRZZVVFW-GNCUJFGWSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001401781389 1363122135 /nfs/dbraw/zinc/12/21/35/1363122135.db2.gz MFQHTEWCOVORNM-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001401781389 1363122136 /nfs/dbraw/zinc/12/21/36/1363122136.db2.gz MFQHTEWCOVORNM-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401787547 1363129755 /nfs/dbraw/zinc/12/97/55/1363129755.db2.gz QPWDNLJHVRQHCY-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c(C)c1 ZINC001401949315 1363268642 /nfs/dbraw/zinc/26/86/42/1363268642.db2.gz NJWKMHTUMGMDGT-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001401950857 1363269563 /nfs/dbraw/zinc/26/95/63/1363269563.db2.gz LPLBLUNWXHFWGF-IBGZPJMESA-N 1 3 343.515 2.916 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCCCC2)CC1 ZINC001401979731 1363296552 /nfs/dbraw/zinc/29/65/52/1363296552.db2.gz LGQHYXDUIAMNBH-UHFFFAOYSA-N 1 3 332.492 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001401995271 1363313054 /nfs/dbraw/zinc/31/30/54/1363313054.db2.gz CMJWTOFPJNDVCY-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001401995271 1363313058 /nfs/dbraw/zinc/31/30/58/1363313058.db2.gz CMJWTOFPJNDVCY-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001402032630 1363344502 /nfs/dbraw/zinc/34/45/02/1363344502.db2.gz NQDNTGUIAOBMIN-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ncccc1C ZINC001402033805 1363345220 /nfs/dbraw/zinc/34/52/20/1363345220.db2.gz FIHQGONCIHMHOP-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402038617 1363349308 /nfs/dbraw/zinc/34/93/08/1363349308.db2.gz VCCTZZFHGBDNRG-UKRRQHHQSA-N 1 3 349.441 2.782 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001402054876 1363362363 /nfs/dbraw/zinc/36/23/63/1363362363.db2.gz KNKJVCJGIZHXBA-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@](C)(C[NH2+]Cc3ccccc3)C2)CC1 ZINC001402183454 1363490420 /nfs/dbraw/zinc/49/04/20/1363490420.db2.gz QLSNBMMSSJLOCP-OAQYLSRUSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001437420319 1387629773 /nfs/dbraw/zinc/62/97/73/1387629773.db2.gz HODLBHQJSOERHX-CYBMUJFWSA-N 1 3 348.878 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(C)CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001402201198 1363510808 /nfs/dbraw/zinc/51/08/08/1363510808.db2.gz OAVGVGFLIZNUKM-AJHXJQRKSA-N 1 3 329.916 2.543 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001402307994 1363597214 /nfs/dbraw/zinc/59/72/14/1363597214.db2.gz GMLNYVUYOGRCQP-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001402371199 1363629817 /nfs/dbraw/zinc/62/98/17/1363629817.db2.gz HAQBFDMYYVINEE-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001402381782 1363639765 /nfs/dbraw/zinc/63/97/65/1363639765.db2.gz VZWBJVKESKQJAZ-GOSISDBHSA-N 1 3 332.492 2.715 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402407155 1363666516 /nfs/dbraw/zinc/66/65/16/1363666516.db2.gz NMRKFBWNBCOHPW-NADMHLTPSA-N 1 3 341.927 2.785 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001402414225 1363673676 /nfs/dbraw/zinc/67/36/76/1363673676.db2.gz YBBZPAJOBNWHDJ-UXHICEINSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001402414225 1363673683 /nfs/dbraw/zinc/67/36/83/1363673683.db2.gz YBBZPAJOBNWHDJ-UXHICEINSA-N 1 3 345.531 2.740 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1 ZINC001402418741 1363678264 /nfs/dbraw/zinc/67/82/64/1363678264.db2.gz AQNBSAFBRMKQNL-RYQLBKOJSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1 ZINC001402418741 1363678269 /nfs/dbraw/zinc/67/82/69/1363678269.db2.gz AQNBSAFBRMKQNL-RYQLBKOJSA-N 1 3 347.478 2.619 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C\Cl)CCC1 ZINC001402421495 1363681120 /nfs/dbraw/zinc/68/11/20/1363681120.db2.gz FHLADRUAFDHZKI-FTKKIPEDSA-N 1 3 339.911 2.582 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C\Cl)CCC1 ZINC001402421495 1363681124 /nfs/dbraw/zinc/68/11/24/1363681124.db2.gz FHLADRUAFDHZKI-FTKKIPEDSA-N 1 3 339.911 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001402422229 1363682050 /nfs/dbraw/zinc/68/20/50/1363682050.db2.gz KLGAPELARMVRPT-YESZJQIVSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001402422229 1363682053 /nfs/dbraw/zinc/68/20/53/1363682053.db2.gz KLGAPELARMVRPT-YESZJQIVSA-N 1 3 347.478 2.619 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001402454062 1363703250 /nfs/dbraw/zinc/70/32/50/1363703250.db2.gz XLKOFMOHHIHOCS-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001402497860 1363740733 /nfs/dbraw/zinc/74/07/33/1363740733.db2.gz SDYZMNCFKOHJSF-WDSOQIARSA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1)N(C)C ZINC001402543053 1363773601 /nfs/dbraw/zinc/77/36/01/1363773601.db2.gz ABRLVMJSTDDLFV-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1 ZINC001402560986 1363789236 /nfs/dbraw/zinc/78/92/36/1363789236.db2.gz JGVXQJFXABKJDT-IHWFROFDSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1 ZINC001402560986 1363789238 /nfs/dbraw/zinc/78/92/38/1363789238.db2.gz JGVXQJFXABKJDT-IHWFROFDSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)N(C)C ZINC001402580607 1363809638 /nfs/dbraw/zinc/80/96/38/1363809638.db2.gz BTNRBYWUZWISHA-SFHVURJKSA-N 1 3 349.494 2.871 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCN1C ZINC001402635372 1363864196 /nfs/dbraw/zinc/86/41/96/1363864196.db2.gz GMRXYDDRJWMSBC-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCN1C ZINC001402635372 1363864197 /nfs/dbraw/zinc/86/41/97/1363864197.db2.gz GMRXYDDRJWMSBC-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001402643705 1363874071 /nfs/dbraw/zinc/87/40/71/1363874071.db2.gz LVOCTDNKHBNAQJ-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)c(C)c1)N(C)C ZINC001402643705 1363874075 /nfs/dbraw/zinc/87/40/75/1363874075.db2.gz LVOCTDNKHBNAQJ-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001402799544 1364046891 /nfs/dbraw/zinc/04/68/91/1364046891.db2.gz ZIPSKOMNWMBTRU-MAUKXSAKSA-N 1 3 343.471 2.711 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001402824660 1364071945 /nfs/dbraw/zinc/07/19/45/1364071945.db2.gz VDJNHUPLYJRCFZ-MPGHIAIKSA-N 1 3 337.483 2.957 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001402825191 1364072543 /nfs/dbraw/zinc/07/25/43/1364072543.db2.gz ZCZIBAXTGTXBML-GUYCJALGSA-N 1 3 341.446 2.535 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402891683 1364113900 /nfs/dbraw/zinc/11/39/00/1364113900.db2.gz SGPPELFPODCNSH-CGQZWFTASA-N 1 3 343.943 2.886 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402891683 1364113903 /nfs/dbraw/zinc/11/39/03/1364113903.db2.gz SGPPELFPODCNSH-CGQZWFTASA-N 1 3 343.943 2.886 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001402906728 1364123481 /nfs/dbraw/zinc/12/34/81/1364123481.db2.gz FWTNWEJPWYXTIT-PBHICJAKSA-N 1 3 339.911 2.829 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001402916928 1364132486 /nfs/dbraw/zinc/13/24/86/1364132486.db2.gz ZWUWCTXUOMYRET-CQSZACIVSA-N 1 3 337.895 2.727 20 0 EFADHO COc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001402917158 1364133512 /nfs/dbraw/zinc/13/35/12/1364133512.db2.gz ICFDLLHIWSQBFK-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001402940622 1364149775 /nfs/dbraw/zinc/14/97/75/1364149775.db2.gz UKDRKBZVTCQZEB-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001437460131 1387663056 /nfs/dbraw/zinc/66/30/56/1387663056.db2.gz ACWYQBCPOQKPHT-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001437460131 1387663061 /nfs/dbraw/zinc/66/30/61/1387663061.db2.gz ACWYQBCPOQKPHT-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001402999771 1364198214 /nfs/dbraw/zinc/19/82/14/1364198214.db2.gz JOTSMCGTMVFHBU-RDTXWAMCSA-N 1 3 349.494 2.885 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001403125828 1364338912 /nfs/dbraw/zinc/33/89/12/1364338912.db2.gz DPZMESCPZYWLAH-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001403125828 1364338914 /nfs/dbraw/zinc/33/89/14/1364338914.db2.gz DPZMESCPZYWLAH-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(Cl)cc1 ZINC001403146293 1364364038 /nfs/dbraw/zinc/36/40/38/1364364038.db2.gz ANHLBICONOAZTM-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C/C=C/c1ccccc1 ZINC001403169798 1364390736 /nfs/dbraw/zinc/39/07/36/1364390736.db2.gz ZOOMCNMLKPLLGF-PMQIGOLDSA-N 1 3 341.499 2.765 20 0 EFADHO COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403175165 1364397604 /nfs/dbraw/zinc/39/76/04/1364397604.db2.gz STEDWUXNIVCZBD-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO COc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403175165 1364397607 /nfs/dbraw/zinc/39/76/07/1364397607.db2.gz STEDWUXNIVCZBD-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1C ZINC001403189028 1364414934 /nfs/dbraw/zinc/41/49/34/1364414934.db2.gz KREAUUDCNNOJGP-HNAYVOBHSA-N 1 3 349.519 2.526 20 0 EFADHO COc1cccc(CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1C ZINC001403189024 1364415204 /nfs/dbraw/zinc/41/52/04/1364415204.db2.gz KREAUUDCNNOJGP-DNVCBOLYSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1C ZINC001403191631 1364419446 /nfs/dbraw/zinc/41/94/46/1364419446.db2.gz FNCVTCZDCBMXQV-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1Cl ZINC001403215707 1364439900 /nfs/dbraw/zinc/43/99/00/1364439900.db2.gz YJNAOTODCDUUQN-GJZGRUSLSA-N 1 3 337.895 2.933 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001403283945 1364499553 /nfs/dbraw/zinc/49/95/53/1364499553.db2.gz GLKRKAZIKMCJHW-OALUTQOASA-N 1 3 343.515 2.996 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001403290341 1364505463 /nfs/dbraw/zinc/50/54/63/1364505463.db2.gz KNSONYQUVHTNIX-MSOLQXFVSA-N 1 3 347.478 2.827 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1ncccc1C ZINC001403297652 1364513879 /nfs/dbraw/zinc/51/38/79/1364513879.db2.gz QXAONYGMHBNURE-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1ncccc1C ZINC001403297652 1364513883 /nfs/dbraw/zinc/51/38/83/1364513883.db2.gz QXAONYGMHBNURE-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001403305927 1364522534 /nfs/dbraw/zinc/52/25/34/1364522534.db2.gz QZGBQJJTEPWRNG-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001403318884 1364534922 /nfs/dbraw/zinc/53/49/22/1364534922.db2.gz RNANMKCHFPMWRR-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001403318884 1364534925 /nfs/dbraw/zinc/53/49/25/1364534925.db2.gz RNANMKCHFPMWRR-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO C[N@H+](CCCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001403466410 1364669932 /nfs/dbraw/zinc/66/99/32/1364669932.db2.gz FBNJHUHLNONHSZ-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCCC1CCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001403466410 1364669934 /nfs/dbraw/zinc/66/99/34/1364669934.db2.gz FBNJHUHLNONHSZ-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001403566011 1364767257 /nfs/dbraw/zinc/76/72/57/1364767257.db2.gz RHRFIFYCQCXVQX-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001403566011 1364767261 /nfs/dbraw/zinc/76/72/61/1364767261.db2.gz RHRFIFYCQCXVQX-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403573519 1364774732 /nfs/dbraw/zinc/77/47/32/1364774732.db2.gz GFZUOWLPNSEVMP-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001403610903 1364814997 /nfs/dbraw/zinc/81/49/97/1364814997.db2.gz PYAUWUZWEGULHZ-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001403610903 1364815000 /nfs/dbraw/zinc/81/50/00/1364815000.db2.gz PYAUWUZWEGULHZ-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001403644176 1364846362 /nfs/dbraw/zinc/84/63/62/1364846362.db2.gz VUEVSDJOMIQUJL-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[C@@H](C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001403687193 1364865029 /nfs/dbraw/zinc/86/50/29/1364865029.db2.gz XWPPURHFIMSHBI-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)[C@H](C)c2ccccc2)C1 ZINC001437511023 1387711115 /nfs/dbraw/zinc/71/11/15/1387711115.db2.gz OYQRDUUQRCQTBK-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)[C@H](C)c2ccccc2)C1 ZINC001437511023 1387711122 /nfs/dbraw/zinc/71/11/22/1387711122.db2.gz OYQRDUUQRCQTBK-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437515579 1387716390 /nfs/dbraw/zinc/71/63/90/1387716390.db2.gz BKXJDTIRORRGTC-SJORKVTESA-N 1 3 343.515 2.626 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437515579 1387716396 /nfs/dbraw/zinc/71/63/96/1387716396.db2.gz BKXJDTIRORRGTC-SJORKVTESA-N 1 3 343.515 2.626 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001404008798 1365162976 /nfs/dbraw/zinc/16/29/76/1365162976.db2.gz NXQNZYOHYFFQOR-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001404008798 1365162980 /nfs/dbraw/zinc/16/29/80/1365162980.db2.gz NXQNZYOHYFFQOR-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO CN(C(=O)CC[NH+]1CCCCC1)C1CC(NCC=C(Cl)Cl)C1 ZINC001404024645 1365181605 /nfs/dbraw/zinc/18/16/05/1365181605.db2.gz SMLRMZRRLZWSSY-UHFFFAOYSA-N 1 3 348.318 2.760 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC(C)C2)cc1F)N(C)C ZINC001404028908 1365187679 /nfs/dbraw/zinc/18/76/79/1365187679.db2.gz IDAYVLBZQLMOTG-KJXMEXGPSA-N 1 3 349.494 2.918 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404071452 1365231064 /nfs/dbraw/zinc/23/10/64/1365231064.db2.gz QVXFKUPOUFVWRW-JKSUJKDBSA-N 1 3 347.478 2.667 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075155 1365235030 /nfs/dbraw/zinc/23/50/30/1365235030.db2.gz DHRLCWXUFDGZDG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075155 1365235035 /nfs/dbraw/zinc/23/50/35/1365235035.db2.gz DHRLCWXUFDGZDG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075103 1365235109 /nfs/dbraw/zinc/23/51/09/1365235109.db2.gz DHRLCWXUFDGZDG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075103 1365235113 /nfs/dbraw/zinc/23/51/13/1365235113.db2.gz DHRLCWXUFDGZDG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090038 1365250881 /nfs/dbraw/zinc/25/08/81/1365250881.db2.gz QPAWPZVPSNQBKX-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090038 1365250883 /nfs/dbraw/zinc/25/08/83/1365250883.db2.gz QPAWPZVPSNQBKX-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001404264844 1365411919 /nfs/dbraw/zinc/41/19/19/1365411919.db2.gz RRCHJSNZZAQVQR-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001404530635 1365631732 /nfs/dbraw/zinc/63/17/32/1365631732.db2.gz ZDBJQSDFHJMEPO-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001404530635 1365631738 /nfs/dbraw/zinc/63/17/38/1365631738.db2.gz ZDBJQSDFHJMEPO-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001404604071 1365704290 /nfs/dbraw/zinc/70/42/90/1365704290.db2.gz MKRPYAUGEBFBSZ-QGZVFWFLSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001404604071 1365704292 /nfs/dbraw/zinc/70/42/92/1365704292.db2.gz MKRPYAUGEBFBSZ-QGZVFWFLSA-N 1 3 349.494 2.756 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)CCC(F)(F)F)CC1)C1CCC1 ZINC001404620626 1365721825 /nfs/dbraw/zinc/72/18/25/1365721825.db2.gz SRWHAISYJHJTRS-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)CCC(F)(F)F)CC1)C1CCC1 ZINC001404620626 1365721827 /nfs/dbraw/zinc/72/18/27/1365721827.db2.gz SRWHAISYJHJTRS-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001404898835 1365890860 /nfs/dbraw/zinc/89/08/60/1365890860.db2.gz ARVPYKGSMSHNJA-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001404901131 1365893662 /nfs/dbraw/zinc/89/36/62/1365893662.db2.gz BTJVGKCDEOPLBE-UHFFFAOYSA-N 1 3 343.515 2.529 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC1CN(CCc2cccs2)C1 ZINC001404937948 1365920578 /nfs/dbraw/zinc/92/05/78/1365920578.db2.gz RTGFANLYDPFHMM-UHFFFAOYSA-N 1 3 349.544 2.605 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001405014396 1365968592 /nfs/dbraw/zinc/96/85/92/1365968592.db2.gz DFWONOHIVAOCDV-WMZOPIPTSA-N 1 3 329.488 2.588 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001405072755 1366002100 /nfs/dbraw/zinc/00/21/00/1366002100.db2.gz DVGJDJONYDWQME-MISYRCLQSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001405072755 1366002102 /nfs/dbraw/zinc/00/21/02/1366002102.db2.gz DVGJDJONYDWQME-MISYRCLQSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc(C)c2)CC1 ZINC001405521499 1366266606 /nfs/dbraw/zinc/26/66/06/1366266606.db2.gz IAJHMCPCDNWZMW-QAQDUYKDSA-N 1 3 337.533 2.915 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001405593512 1366309584 /nfs/dbraw/zinc/30/95/84/1366309584.db2.gz OCOUYGQMRSGMKH-CEXWTWQISA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001405666391 1366327481 /nfs/dbraw/zinc/32/74/81/1366327481.db2.gz DXKZOIDEVGYDJO-MAUKXSAKSA-N 1 3 335.467 2.540 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001405666614 1366327678 /nfs/dbraw/zinc/32/76/78/1366327678.db2.gz GSVMFOOVMYCRSA-FXAWDEMLSA-N 1 3 345.531 2.964 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001405667217 1366328459 /nfs/dbraw/zinc/32/84/59/1366328459.db2.gz JAELEOIGYCJQMS-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)C1CCC1 ZINC001405746043 1366381015 /nfs/dbraw/zinc/38/10/15/1366381015.db2.gz ODVDYDGIOFETQM-UHFFFAOYSA-N 1 3 329.488 2.690 20 0 EFADHO CCCOc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001405788350 1366416555 /nfs/dbraw/zinc/41/65/55/1366416555.db2.gz BLXAVDQWQXRFSY-VQIMIIECSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001405820459 1366439478 /nfs/dbraw/zinc/43/94/78/1366439478.db2.gz CELFRFKEVBBNCV-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001405820454 1366439721 /nfs/dbraw/zinc/43/97/21/1366439721.db2.gz CELFRFKEVBBNCV-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1cc(F)ccc1C ZINC001437598941 1387811454 /nfs/dbraw/zinc/81/14/54/1387811454.db2.gz KXHSPCOCNKAHTD-LJQANCHMSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1cc(F)ccc1C ZINC001437598941 1387811460 /nfs/dbraw/zinc/81/14/60/1387811460.db2.gz KXHSPCOCNKAHTD-LJQANCHMSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001405833071 1366448177 /nfs/dbraw/zinc/44/81/77/1366448177.db2.gz PHYCMRVTWMUTHG-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CNCc1cccnc1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001405863210 1366472306 /nfs/dbraw/zinc/47/23/06/1366472306.db2.gz ZRXBHWVMRHGVMG-KRWDZBQOSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@@H](CNCc1cccnc1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001405863210 1366472308 /nfs/dbraw/zinc/47/23/08/1366472308.db2.gz ZRXBHWVMRHGVMG-KRWDZBQOSA-N 1 3 346.519 2.673 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCCC2)CCC1 ZINC001405945847 1366984952 /nfs/dbraw/zinc/98/49/52/1366984952.db2.gz FKGWDPVALQVYJS-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCCC2)CCC1 ZINC001405945842 1366985169 /nfs/dbraw/zinc/98/51/69/1366985169.db2.gz FKGWDPVALQVYJS-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001437625147 1387847837 /nfs/dbraw/zinc/84/78/37/1387847837.db2.gz DYKLLDFKCGWKKH-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001437625147 1387847842 /nfs/dbraw/zinc/84/78/42/1387847842.db2.gz DYKLLDFKCGWKKH-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001406008117 1367085300 /nfs/dbraw/zinc/08/53/00/1367085300.db2.gz VTFHFVGWNMFHIR-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C(C)C)N(C)C ZINC001406074767 1367185992 /nfs/dbraw/zinc/18/59/92/1367185992.db2.gz XPGPXPKDVVUEKK-UXHICEINSA-N 1 3 345.531 2.746 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406078094 1367193500 /nfs/dbraw/zinc/19/35/00/1367193500.db2.gz LKTFMRFZWSCEBV-JXFKEZNVSA-N 1 3 343.515 2.721 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406078094 1367193507 /nfs/dbraw/zinc/19/35/07/1367193507.db2.gz LKTFMRFZWSCEBV-JXFKEZNVSA-N 1 3 343.515 2.721 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1c(C)cc(C)cc1C ZINC001406148399 1367319631 /nfs/dbraw/zinc/31/96/31/1367319631.db2.gz RTWMUVATTHQJBF-UHFFFAOYSA-N 1 3 333.520 2.844 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1c(C)cc(C)cc1C ZINC001406148399 1367319639 /nfs/dbraw/zinc/31/96/39/1367319639.db2.gz RTWMUVATTHQJBF-UHFFFAOYSA-N 1 3 333.520 2.844 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001406190610 1367389447 /nfs/dbraw/zinc/38/94/47/1367389447.db2.gz RCHFAVGFNVMTRW-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(C)cc2)C1 ZINC001406190610 1367389461 /nfs/dbraw/zinc/38/94/61/1367389461.db2.gz RCHFAVGFNVMTRW-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001406206930 1367403548 /nfs/dbraw/zinc/40/35/48/1367403548.db2.gz WIZRMPGDMYLDCC-MJGOQNOKSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001406397080 1367547021 /nfs/dbraw/zinc/54/70/21/1367547021.db2.gz SHMUDEWBIQGEIO-PBFPGSCMSA-N 1 3 341.446 2.706 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1cc2ccccc2o1)[NH+](C)C ZINC001406479800 1367632030 /nfs/dbraw/zinc/63/20/30/1367632030.db2.gz JGPMHNISHWBMJR-KSSFIOAISA-N 1 3 331.460 2.613 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001406482848 1367635893 /nfs/dbraw/zinc/63/58/93/1367635893.db2.gz MZTZLULMRXTFRW-INIZCTEOSA-N 1 3 349.494 2.993 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cccc(C)c1 ZINC001437650627 1387892751 /nfs/dbraw/zinc/89/27/51/1387892751.db2.gz NPWYARDLKCTDLV-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001437650627 1387892759 /nfs/dbraw/zinc/89/27/59/1387892759.db2.gz NPWYARDLKCTDLV-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639153 1367844316 /nfs/dbraw/zinc/84/43/16/1367844316.db2.gz ROBBSKYBOLEEAH-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639153 1367844321 /nfs/dbraw/zinc/84/43/21/1367844321.db2.gz ROBBSKYBOLEEAH-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001406639666 1367845216 /nfs/dbraw/zinc/84/52/16/1367845216.db2.gz SMTVWVIGRUYWRL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001406639666 1367845222 /nfs/dbraw/zinc/84/52/22/1367845222.db2.gz SMTVWVIGRUYWRL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](C[N@H+](C)Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001406640462 1367848198 /nfs/dbraw/zinc/84/81/98/1367848198.db2.gz VSTBDJLLUKZHIF-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001406640462 1367848206 /nfs/dbraw/zinc/84/82/06/1367848206.db2.gz VSTBDJLLUKZHIF-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001406661581 1367882569 /nfs/dbraw/zinc/88/25/69/1367882569.db2.gz ZNXFHJHQLDJEBG-SUMWQHHRSA-N 1 3 339.549 2.888 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406670124 1367894662 /nfs/dbraw/zinc/89/46/62/1367894662.db2.gz QCGLDJDCXJDEHW-MRXNPFEDSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001406698973 1367942346 /nfs/dbraw/zinc/94/23/46/1367942346.db2.gz SZHDAJIXSVSLMV-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001406698973 1367942349 /nfs/dbraw/zinc/94/23/49/1367942349.db2.gz SZHDAJIXSVSLMV-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001406719153 1367968194 /nfs/dbraw/zinc/96/81/94/1367968194.db2.gz JGTJRHDPCBEIDS-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001406722466 1367970411 /nfs/dbraw/zinc/97/04/11/1367970411.db2.gz PQYAMOVPJJOTSW-OALUTQOASA-N 1 3 343.515 2.936 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001406722454 1367970682 /nfs/dbraw/zinc/97/06/82/1367970682.db2.gz PQYAMOVPJJOTSW-MOPGFXCFSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001406770506 1368027552 /nfs/dbraw/zinc/02/75/52/1368027552.db2.gz GLSCCMVIFGROKL-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001406776748 1368035881 /nfs/dbraw/zinc/03/58/81/1368035881.db2.gz MJLRHNIXYNZFBM-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001406884904 1368165878 /nfs/dbraw/zinc/16/58/78/1368165878.db2.gz NZVGZUTXKGPVAI-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001406884904 1368165884 /nfs/dbraw/zinc/16/58/84/1368165884.db2.gz NZVGZUTXKGPVAI-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001406924267 1368218648 /nfs/dbraw/zinc/21/86/48/1368218648.db2.gz JQONMTWAIVLGDG-LJQANCHMSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001407011500 1368320989 /nfs/dbraw/zinc/32/09/89/1368320989.db2.gz QVUGULVSNPEZCE-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001407011500 1368320997 /nfs/dbraw/zinc/32/09/97/1368320997.db2.gz QVUGULVSNPEZCE-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001407078176 1368399330 /nfs/dbraw/zinc/39/93/30/1368399330.db2.gz AWCSQAMTCAEEHW-HZPDHXFCSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001407084479 1368407589 /nfs/dbraw/zinc/40/75/89/1368407589.db2.gz HHGAOSXTZJNEDH-FUHWJXTLSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C/Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001407102975 1368428015 /nfs/dbraw/zinc/42/80/15/1368428015.db2.gz ZCZNQKYWOSVKGV-XWJOTYRJSA-N 1 3 348.318 2.616 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001407229512 1368617954 /nfs/dbraw/zinc/61/79/54/1368617954.db2.gz LABPNZIKNZDTPQ-HKUYNNGSSA-N 1 3 325.541 2.837 20 0 EFADHO CC1CC(C[NH2+]C[C@]2(C)CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001407241023 1368636678 /nfs/dbraw/zinc/63/66/78/1368636678.db2.gz IMRSYTVQKCJITE-QLOJAFMTSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407241827 1368638069 /nfs/dbraw/zinc/63/80/69/1368638069.db2.gz SXMAJQGQTSGXPZ-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407263259 1368670860 /nfs/dbraw/zinc/67/08/60/1368670860.db2.gz KSMURKFDMKTCJH-HXUWFJFHSA-N 1 3 349.494 2.804 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCCC3CCCC3)C2)CCC1 ZINC001437714412 1387959983 /nfs/dbraw/zinc/95/99/83/1387959983.db2.gz MMMHVYLGPNFWGN-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCCC3CCCC3)C2)CCC1 ZINC001437714412 1387959991 /nfs/dbraw/zinc/95/99/91/1387959991.db2.gz MMMHVYLGPNFWGN-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)CCC1 ZINC001407852478 1369310897 /nfs/dbraw/zinc/31/08/97/1369310897.db2.gz OYEAJIPJSKCBMS-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)CCC1 ZINC001407852478 1369310910 /nfs/dbraw/zinc/31/09/10/1369310910.db2.gz OYEAJIPJSKCBMS-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ncccc2C)CC1 ZINC001407891558 1369356040 /nfs/dbraw/zinc/35/60/40/1369356040.db2.gz MVGSQESBDHFDBZ-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ncccc2C)CC1 ZINC001407891558 1369356048 /nfs/dbraw/zinc/35/60/48/1369356048.db2.gz MVGSQESBDHFDBZ-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CCCC[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001408050663 1369563121 /nfs/dbraw/zinc/56/31/21/1369563121.db2.gz BUQWPRVOBOSJSZ-INIZCTEOSA-N 1 3 329.488 2.760 20 0 EFADHO CCCC[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001408050663 1369563130 /nfs/dbraw/zinc/56/31/30/1369563130.db2.gz BUQWPRVOBOSJSZ-INIZCTEOSA-N 1 3 329.488 2.760 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001408061631 1369574423 /nfs/dbraw/zinc/57/44/23/1369574423.db2.gz WDRNUXGNQVAWSR-UHFFFAOYSA-N 1 3 341.499 2.904 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCc1ccccc1 ZINC001408094312 1369601356 /nfs/dbraw/zinc/60/13/56/1369601356.db2.gz KHQHTVMFSNPFOU-PKOBYXMFSA-N 1 3 345.531 2.644 20 0 EFADHO Cc1cc(F)ccc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408166209 1369668094 /nfs/dbraw/zinc/66/80/94/1369668094.db2.gz ADUIABSOFCKLEN-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(OC)c2)[C@H](C)C1 ZINC001408179254 1369686267 /nfs/dbraw/zinc/68/62/67/1369686267.db2.gz OTPQZYXDONNUAW-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@H](C)C1 ZINC001408179254 1369686288 /nfs/dbraw/zinc/68/62/88/1369686288.db2.gz OTPQZYXDONNUAW-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001437783440 1388061861 /nfs/dbraw/zinc/06/18/61/1388061861.db2.gz DGIUTYCMTPWTFA-IBGZPJMESA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001437783440 1388061865 /nfs/dbraw/zinc/06/18/65/1388061865.db2.gz DGIUTYCMTPWTFA-IBGZPJMESA-N 1 3 329.488 2.640 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001437787203 1388069950 /nfs/dbraw/zinc/06/99/50/1388069950.db2.gz ZIBDNQJDLHJRIF-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(Cc1ccccc1C)C1CC1 ZINC001437787203 1388069958 /nfs/dbraw/zinc/06/99/58/1388069958.db2.gz ZIBDNQJDLHJRIF-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001414531940 1370405891 /nfs/dbraw/zinc/40/58/91/1370405891.db2.gz OLTMGYPXMHWINE-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001414556186 1370436541 /nfs/dbraw/zinc/43/65/41/1370436541.db2.gz KHWHDNBGRPNVPZ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001414556186 1370436548 /nfs/dbraw/zinc/43/65/48/1370436548.db2.gz KHWHDNBGRPNVPZ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cc(C)c(CN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)C2CC2)c(C)c1 ZINC001437816967 1388114513 /nfs/dbraw/zinc/11/45/13/1388114513.db2.gz FDSVXPARUPULEE-SFHVURJKSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1cc(C)c(CN(CCNC(=O)[C@H]2CC[N@H+](C)C2)C2CC2)c(C)c1 ZINC001437816967 1388114517 /nfs/dbraw/zinc/11/45/17/1388114517.db2.gz FDSVXPARUPULEE-SFHVURJKSA-N 1 3 343.515 2.644 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001437826572 1388119307 /nfs/dbraw/zinc/11/93/07/1388119307.db2.gz CLVMVYQSHVTUFS-IRXDYDNUSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001437839223 1388131181 /nfs/dbraw/zinc/13/11/81/1388131181.db2.gz RSKBXZCJYOKKIC-CYBMUJFWSA-N 1 3 339.430 2.558 20 0 EFADHO CN(CC[NH2+][C@@H]1CCCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001437843752 1388136654 /nfs/dbraw/zinc/13/66/54/1388136654.db2.gz KNNDQEQPEPUQDL-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001417890810 1373378216 /nfs/dbraw/zinc/37/82/16/1373378216.db2.gz ICGRTHZKUOTJDJ-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO Cc1cc(C[NH+]2CCC(N(C)C(=O)CN(C)C3CCC3)CC2)cs1 ZINC001417894435 1373382553 /nfs/dbraw/zinc/38/25/53/1373382553.db2.gz AWBWUSGXJVJCLW-UHFFFAOYSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001417935902 1373424557 /nfs/dbraw/zinc/42/45/57/1373424557.db2.gz IBADHBRJDJARSI-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCc1cccs1)CC2 ZINC001417952991 1373445222 /nfs/dbraw/zinc/44/52/22/1373445222.db2.gz HRYFCZPMUDRSRE-KRWDZBQOSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001417981513 1373482328 /nfs/dbraw/zinc/48/23/28/1373482328.db2.gz CJGABSXAGAMTBV-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001417985088 1373487395 /nfs/dbraw/zinc/48/73/95/1373487395.db2.gz KBTCIFKVFLACIO-IFXJQAMLSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CCc2ccccc2)C1 ZINC001418021323 1373533022 /nfs/dbraw/zinc/53/30/22/1373533022.db2.gz LDUIWZHJAXCECA-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CCc2ccccc2)C1 ZINC001418021323 1373533028 /nfs/dbraw/zinc/53/30/28/1373533028.db2.gz LDUIWZHJAXCECA-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418042471 1373554989 /nfs/dbraw/zinc/55/49/89/1373554989.db2.gz DOTVQWUEYWACLY-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@H](NC/C=C/Cl)C1)C1CCCCC1 ZINC001418045732 1373557375 /nfs/dbraw/zinc/55/73/75/1373557375.db2.gz XEFLZTMWQJKIRY-RNOHYWCBSA-N 1 3 327.900 2.584 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@H](NC/C=C/Cl)C1)C1CCCCC1 ZINC001418045732 1373557383 /nfs/dbraw/zinc/55/73/83/1373557383.db2.gz XEFLZTMWQJKIRY-RNOHYWCBSA-N 1 3 327.900 2.584 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001418063610 1373569003 /nfs/dbraw/zinc/56/90/03/1373569003.db2.gz IDZSLQGOMFBHNN-KBAYOESNSA-N 1 3 331.504 2.962 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001418062556 1373569745 /nfs/dbraw/zinc/56/97/45/1373569745.db2.gz LVHHUGSZHADAPW-QGZVKYPTSA-N 1 3 343.515 2.887 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001418064082 1373570263 /nfs/dbraw/zinc/57/02/63/1373570263.db2.gz KGGXKFJJNUMXOL-SHTZXODSSA-N 1 3 337.895 2.727 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1)[NH+](CC)CC ZINC001418064162 1373570554 /nfs/dbraw/zinc/57/05/54/1373570554.db2.gz MCGFQHDUERICAS-JFIYKMOQSA-N 1 3 335.467 2.683 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001418075809 1373580586 /nfs/dbraw/zinc/58/05/86/1373580586.db2.gz REEVDGMWSKCVGX-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC001418087042 1373594347 /nfs/dbraw/zinc/59/43/47/1373594347.db2.gz QCHCDZYMBIXFAX-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC001418087042 1373594351 /nfs/dbraw/zinc/59/43/51/1373594351.db2.gz QCHCDZYMBIXFAX-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001418128996 1373647981 /nfs/dbraw/zinc/64/79/81/1373647981.db2.gz VZFBWFJDVMPOLZ-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001418141002 1373666697 /nfs/dbraw/zinc/66/66/97/1373666697.db2.gz WTWAMWFNNBSXSJ-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001418141002 1373666704 /nfs/dbraw/zinc/66/67/04/1373666704.db2.gz WTWAMWFNNBSXSJ-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1CCc1ccccc1F ZINC001418158203 1373700368 /nfs/dbraw/zinc/70/03/68/1373700368.db2.gz ALCGYFJTJXCJMO-SFHVURJKSA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1CCc1ccccc1F ZINC001418158203 1373700374 /nfs/dbraw/zinc/70/03/74/1373700374.db2.gz ALCGYFJTJXCJMO-SFHVURJKSA-N 1 3 349.494 2.681 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001418180214 1373741183 /nfs/dbraw/zinc/74/11/83/1373741183.db2.gz BKQMVXJXJHHDNO-LFAQGZIKSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001418180214 1373741184 /nfs/dbraw/zinc/74/11/84/1373741184.db2.gz BKQMVXJXJHHDNO-LFAQGZIKSA-N 1 3 343.515 2.689 20 0 EFADHO CC[C@@H]([NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001418234264 1373789281 /nfs/dbraw/zinc/78/92/81/1373789281.db2.gz KJQCECIUEVHISW-RHSMWYFYSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001418335795 1373914716 /nfs/dbraw/zinc/91/47/16/1373914716.db2.gz JMIJSDNNSJZCJB-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001418360659 1373933379 /nfs/dbraw/zinc/93/33/79/1373933379.db2.gz OTAPAKCVKMOBNL-ZWKOTPCHSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001418360651 1373934111 /nfs/dbraw/zinc/93/41/11/1373934111.db2.gz OTAPAKCVKMOBNL-ROUUACIJSA-N 1 3 335.467 2.685 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001418369057 1373943193 /nfs/dbraw/zinc/94/31/93/1373943193.db2.gz RLTDKWLARKBWSY-DLBZAZTESA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001418402524 1373982643 /nfs/dbraw/zinc/98/26/43/1373982643.db2.gz PFMLXTANSIHLKP-QAPCUYQASA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001418429517 1374016266 /nfs/dbraw/zinc/01/62/66/1374016266.db2.gz QGHNIFNOBRSCHO-RHSMWYFYSA-N 1 3 328.460 2.896 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001418461400 1374050462 /nfs/dbraw/zinc/05/04/62/1374050462.db2.gz JPAUBHQAQRGZHV-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001418461400 1374050468 /nfs/dbraw/zinc/05/04/68/1374050468.db2.gz JPAUBHQAQRGZHV-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001418463160 1374053401 /nfs/dbraw/zinc/05/34/01/1374053401.db2.gz NAQIIHCJHMRPOL-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001418463160 1374053408 /nfs/dbraw/zinc/05/34/08/1374053408.db2.gz NAQIIHCJHMRPOL-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2c(C)cccc2C)C1 ZINC001418487503 1374082430 /nfs/dbraw/zinc/08/24/30/1374082430.db2.gz KYURYUUOLJCDFZ-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2c(C)cccc2C)C1 ZINC001418487503 1374082439 /nfs/dbraw/zinc/08/24/39/1374082439.db2.gz KYURYUUOLJCDFZ-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001418512278 1374115514 /nfs/dbraw/zinc/11/55/14/1374115514.db2.gz LVCBLKIRERFNJU-DNVCBOLYSA-N 1 3 331.504 2.625 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001418512278 1374115518 /nfs/dbraw/zinc/11/55/18/1374115518.db2.gz LVCBLKIRERFNJU-DNVCBOLYSA-N 1 3 331.504 2.625 20 0 EFADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC(F)(F)C1 ZINC001418546505 1374158233 /nfs/dbraw/zinc/15/82/33/1374158233.db2.gz GFQWRILCUUPYJP-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CC1CC(F)(F)C1 ZINC001418546505 1374158236 /nfs/dbraw/zinc/15/82/36/1374158236.db2.gz GFQWRILCUUPYJP-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1cc(C)sc1C ZINC001418555404 1374173723 /nfs/dbraw/zinc/17/37/23/1374173723.db2.gz IOOQXCLDYNCNEL-UHFFFAOYSA-N 1 3 349.544 2.931 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1ccc(F)cc1 ZINC001418558150 1374178182 /nfs/dbraw/zinc/17/81/82/1374178182.db2.gz MSAGYTWUFIUACY-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1ccc(F)cc1 ZINC001418558150 1374178183 /nfs/dbraw/zinc/17/81/83/1374178183.db2.gz MSAGYTWUFIUACY-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)C/C=C/Cl)C2)c1 ZINC001437990436 1388302565 /nfs/dbraw/zinc/30/25/65/1388302565.db2.gz NEIYOVJBFHHOLB-HFTQHKIXSA-N 1 3 349.906 2.895 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)C/C=C/Cl)C2)c1 ZINC001437990436 1388302571 /nfs/dbraw/zinc/30/25/71/1388302571.db2.gz NEIYOVJBFHHOLB-HFTQHKIXSA-N 1 3 349.906 2.895 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001418584903 1374226069 /nfs/dbraw/zinc/22/60/69/1374226069.db2.gz CFPJOZQBXIYLFB-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001418635517 1374302649 /nfs/dbraw/zinc/30/26/49/1374302649.db2.gz RYLSINXGHZRGME-IZAXUBKRSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418656295 1374329134 /nfs/dbraw/zinc/32/91/34/1374329134.db2.gz HDHZPWMQVFUSFI-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418656295 1374329139 /nfs/dbraw/zinc/32/91/39/1374329139.db2.gz HDHZPWMQVFUSFI-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418658436 1374334158 /nfs/dbraw/zinc/33/41/58/1374334158.db2.gz MNIQTULMZAJDHO-HKUYNNGSSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418658436 1374334165 /nfs/dbraw/zinc/33/41/65/1374334165.db2.gz MNIQTULMZAJDHO-HKUYNNGSSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658597 1374334391 /nfs/dbraw/zinc/33/43/91/1374334391.db2.gz NBXWIVAHGXJXKM-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658597 1374334395 /nfs/dbraw/zinc/33/43/95/1374334395.db2.gz NBXWIVAHGXJXKM-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001418683257 1374364980 /nfs/dbraw/zinc/36/49/80/1374364980.db2.gz AGDYCBANPGUYAS-BHIYHBOVSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001418699581 1374384744 /nfs/dbraw/zinc/38/47/44/1374384744.db2.gz BXLQNFSDZHTEPG-UFYCRDLUSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)N(C)C ZINC001418797587 1374515130 /nfs/dbraw/zinc/51/51/30/1374515130.db2.gz CXEHBJVNDWQVKX-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)N(C)C ZINC001418797587 1374515136 /nfs/dbraw/zinc/51/51/36/1374515136.db2.gz CXEHBJVNDWQVKX-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418890045 1374638505 /nfs/dbraw/zinc/63/85/05/1374638505.db2.gz JUVUMDUYQKBPEH-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418890045 1374638514 /nfs/dbraw/zinc/63/85/14/1374638514.db2.gz JUVUMDUYQKBPEH-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)s1 ZINC001419096947 1374840306 /nfs/dbraw/zinc/84/03/06/1374840306.db2.gz BPERQHWCGTWATI-GOSISDBHSA-N 1 3 349.544 2.931 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419135153 1374883403 /nfs/dbraw/zinc/88/34/03/1374883403.db2.gz FZCFSERFMOTIPO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419135153 1374883404 /nfs/dbraw/zinc/88/34/04/1374883404.db2.gz FZCFSERFMOTIPO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001419141767 1374890386 /nfs/dbraw/zinc/89/03/86/1374890386.db2.gz POWGEHNWNCAVMB-UYAOXDASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001419141767 1374890390 /nfs/dbraw/zinc/89/03/90/1374890390.db2.gz POWGEHNWNCAVMB-UYAOXDASSA-N 1 3 345.531 2.922 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001419144144 1374892068 /nfs/dbraw/zinc/89/20/68/1374892068.db2.gz YIZQBARFTZBNCQ-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419188511 1374934069 /nfs/dbraw/zinc/93/40/69/1374934069.db2.gz DNXDEXFWXXAXMG-HKUYNNGSSA-N 1 3 329.488 2.814 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cncc(C)c1 ZINC001419192161 1374937975 /nfs/dbraw/zinc/93/79/75/1374937975.db2.gz CFLBQVZZOJXXNV-SFHVURJKSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cncc(C)c1 ZINC001419192157 1374938488 /nfs/dbraw/zinc/93/84/88/1374938488.db2.gz CFLBQVZZOJXXNV-GOSISDBHSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1C)CC2)N(C)C ZINC001419201535 1374947502 /nfs/dbraw/zinc/94/75/02/1374947502.db2.gz AAWMHKYMUJAWBO-OALUTQOASA-N 1 3 343.515 2.806 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001419233152 1374979886 /nfs/dbraw/zinc/97/98/86/1374979886.db2.gz XGODRGLNILOAMP-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001419265023 1375012633 /nfs/dbraw/zinc/01/26/33/1375012633.db2.gz PUFSKRGBBBREJX-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001419272888 1375020545 /nfs/dbraw/zinc/02/05/45/1375020545.db2.gz GTXZOVRKILQSSO-AWEZNQCLSA-N 1 3 342.434 2.571 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H](NCC=C(Cl)Cl)C1CC1 ZINC001419329077 1375110748 /nfs/dbraw/zinc/11/07/48/1375110748.db2.gz VKHQEYZVYQAJMV-CQSZACIVSA-N 1 3 348.318 2.666 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CCC3CC3)C2)CC1 ZINC001419332085 1375116837 /nfs/dbraw/zinc/11/68/37/1375116837.db2.gz IAXJGWMCPPPECB-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CCC3CC3)C2)CC1 ZINC001419332085 1375116841 /nfs/dbraw/zinc/11/68/41/1375116841.db2.gz IAXJGWMCPPPECB-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C(=O)NCCC1CC[NH+](CCCF)CC1)N1CCCCC1 ZINC001419394198 1375216561 /nfs/dbraw/zinc/21/65/61/1375216561.db2.gz IKYWUZISXCGELY-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+](CC)CC ZINC001419414084 1375242195 /nfs/dbraw/zinc/24/21/95/1375242195.db2.gz QPCJHVXXSLISBB-JHJVBQTASA-N 1 3 336.307 2.663 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001419413972 1375242678 /nfs/dbraw/zinc/24/26/78/1375242678.db2.gz KOASKJAXSAMVLE-IYARVYRRSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001419437075 1375271065 /nfs/dbraw/zinc/27/10/65/1375271065.db2.gz IAKPRAJCBCPAIG-FHWLQOOXSA-N 1 3 331.504 2.626 20 0 EFADHO Cc1cc(C)c(CN2CC(CNC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001438135850 1388374463 /nfs/dbraw/zinc/37/44/63/1388374463.db2.gz ULQBVLSVSIYMQF-UHFFFAOYSA-N 1 3 331.504 2.502 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419567489 1375462403 /nfs/dbraw/zinc/46/24/03/1375462403.db2.gz OGUAISWFRZSPQP-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NCc3ccccc3F)CCCC2)CC1 ZINC001419613605 1375542010 /nfs/dbraw/zinc/54/20/10/1375542010.db2.gz WCUWSOIKLRLQIY-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO CCCN(C)CC(=O)NCC1C[NH+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001438151363 1388384559 /nfs/dbraw/zinc/38/45/59/1388384559.db2.gz CGWWGSXVUUDWSY-MRXNPFEDSA-N 1 3 343.515 2.626 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2csc(C)c2)CCCC1)N(C)C ZINC001419615562 1375546206 /nfs/dbraw/zinc/54/62/06/1375546206.db2.gz MEAONBUANJKIGQ-INIZCTEOSA-N 1 3 337.533 2.915 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001419626662 1375576167 /nfs/dbraw/zinc/57/61/67/1375576167.db2.gz MIXALXHWXURQEV-ICHOQEBTSA-N 1 3 341.927 2.832 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001419633907 1375597076 /nfs/dbraw/zinc/59/70/76/1375597076.db2.gz RGZFESADJQRWAL-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001419633907 1375597079 /nfs/dbraw/zinc/59/70/79/1375597079.db2.gz RGZFESADJQRWAL-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001419750094 1375811382 /nfs/dbraw/zinc/81/13/82/1375811382.db2.gz ZPWKSWZSTRJLSX-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001419775913 1375858472 /nfs/dbraw/zinc/85/84/72/1375858472.db2.gz MEUZATDVAYNKBQ-AEFFLSMTSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419832091 1375953287 /nfs/dbraw/zinc/95/32/87/1375953287.db2.gz OZUUFOXVRXHRSN-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419832098 1375953437 /nfs/dbraw/zinc/95/34/37/1375953437.db2.gz OZUUFOXVRXHRSN-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419832102 1375954257 /nfs/dbraw/zinc/95/42/57/1375954257.db2.gz OZUUFOXVRXHRSN-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001438209276 1388414349 /nfs/dbraw/zinc/41/43/49/1388414349.db2.gz AEIHEBQJNBVOSX-HXUWFJFHSA-N 1 3 339.483 2.872 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001419930432 1376146230 /nfs/dbraw/zinc/14/62/30/1376146230.db2.gz WOCFCSDAVRFNIO-KBXCAEBGSA-N 1 3 328.460 2.752 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCCN1C ZINC001419974390 1376216808 /nfs/dbraw/zinc/21/68/08/1376216808.db2.gz ZNGDKDSKNXSFRY-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCCN1C ZINC001419974390 1376216809 /nfs/dbraw/zinc/21/68/09/1376216809.db2.gz ZNGDKDSKNXSFRY-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420008381 1376273716 /nfs/dbraw/zinc/27/37/16/1376273716.db2.gz DQDNSERQFFDPRG-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420008381 1376273721 /nfs/dbraw/zinc/27/37/21/1376273721.db2.gz DQDNSERQFFDPRG-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001420049830 1376380244 /nfs/dbraw/zinc/38/02/44/1376380244.db2.gz MBIIYZSWTQGIPI-HXUWFJFHSA-N 1 3 345.531 2.727 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001420049830 1376380249 /nfs/dbraw/zinc/38/02/49/1376380249.db2.gz MBIIYZSWTQGIPI-HXUWFJFHSA-N 1 3 345.531 2.727 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C\Cl)C1CCC1 ZINC001420085437 1376439098 /nfs/dbraw/zinc/43/90/98/1376439098.db2.gz JLOOKLWYYPLIKO-PUWKQBKRSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001420117571 1376474071 /nfs/dbraw/zinc/47/40/71/1376474071.db2.gz ZXQAQUISHTZJEI-OAHLLOKOSA-N 1 3 343.471 2.902 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)[C@H]1CCCN1C ZINC001420242816 1376603786 /nfs/dbraw/zinc/60/37/86/1376603786.db2.gz RMWBGVZXCOORDO-SUMWQHHRSA-N 1 3 339.430 2.558 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001420310398 1376709549 /nfs/dbraw/zinc/70/95/49/1376709549.db2.gz SPSSTIKRSKUONP-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001420310398 1376709556 /nfs/dbraw/zinc/70/95/56/1376709556.db2.gz SPSSTIKRSKUONP-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001420326489 1376738182 /nfs/dbraw/zinc/73/81/82/1376738182.db2.gz ZEBIHTLALFNQCV-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001420390053 1376864342 /nfs/dbraw/zinc/86/43/42/1376864342.db2.gz XYBHOFXZUMJPBS-GOSISDBHSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001420390053 1376864353 /nfs/dbraw/zinc/86/43/53/1376864353.db2.gz XYBHOFXZUMJPBS-GOSISDBHSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438269649 1388470085 /nfs/dbraw/zinc/47/00/85/1388470085.db2.gz NKJDJCKBLGUANX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438269649 1388470089 /nfs/dbraw/zinc/47/00/89/1388470089.db2.gz NKJDJCKBLGUANX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1F ZINC001420424977 1376935984 /nfs/dbraw/zinc/93/59/84/1376935984.db2.gz VEUUTBVGCISYBQ-INIZCTEOSA-N 1 3 349.494 2.993 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CCCCCC1 ZINC001420439528 1376976986 /nfs/dbraw/zinc/97/69/86/1376976986.db2.gz ZSCMYPSKXFVNOA-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC001420505540 1377097088 /nfs/dbraw/zinc/09/70/88/1377097088.db2.gz WSZBMCAFLSTYSR-GUYCJALGSA-N 1 3 337.895 2.763 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001420506810 1377099323 /nfs/dbraw/zinc/09/93/23/1377099323.db2.gz HODQIIXZBOWEAI-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001420506810 1377099330 /nfs/dbraw/zinc/09/93/30/1377099330.db2.gz HODQIIXZBOWEAI-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001420533406 1377145007 /nfs/dbraw/zinc/14/50/07/1377145007.db2.gz CHUKKNCAVVOMAR-PXNSSMCTSA-N 1 3 345.531 2.570 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001420533406 1377145008 /nfs/dbraw/zinc/14/50/08/1377145008.db2.gz CHUKKNCAVVOMAR-PXNSSMCTSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001420537704 1377149978 /nfs/dbraw/zinc/14/99/78/1377149978.db2.gz YIBTYJUIBQEEKT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001420537704 1377149980 /nfs/dbraw/zinc/14/99/80/1377149980.db2.gz YIBTYJUIBQEEKT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001420544177 1377162974 /nfs/dbraw/zinc/16/29/74/1377162974.db2.gz MFRNCYPQUGTJLY-HKUYNNGSSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001420544177 1377162977 /nfs/dbraw/zinc/16/29/77/1377162977.db2.gz MFRNCYPQUGTJLY-HKUYNNGSSA-N 1 3 349.494 2.537 20 0 EFADHO C[C@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001420615343 1377329078 /nfs/dbraw/zinc/32/90/78/1377329078.db2.gz RONOQNANANRVFA-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC001420651042 1377417361 /nfs/dbraw/zinc/41/73/61/1377417361.db2.gz WZRWMNIHNRNHLK-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC001420651042 1377417364 /nfs/dbraw/zinc/41/73/64/1377417364.db2.gz WZRWMNIHNRNHLK-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001420737693 1377584910 /nfs/dbraw/zinc/58/49/10/1377584910.db2.gz IOVOOEPYRDQRLG-XJKSGUPXSA-N 1 3 325.884 2.789 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)C1CCC1 ZINC001420861007 1377792510 /nfs/dbraw/zinc/79/25/10/1377792510.db2.gz PIMHORQYJBDKGF-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)C1CCC1 ZINC001420861007 1377792512 /nfs/dbraw/zinc/79/25/12/1377792512.db2.gz PIMHORQYJBDKGF-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001420946452 1377923278 /nfs/dbraw/zinc/92/32/78/1377923278.db2.gz RCQRRMIFDPGFMP-GOSISDBHSA-N 1 3 329.488 2.606 20 0 EFADHO Cc1cccc(C)c1CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001421003472 1378006486 /nfs/dbraw/zinc/00/64/86/1378006486.db2.gz WRQUXVIRRLOKFA-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001421009163 1378016169 /nfs/dbraw/zinc/01/61/69/1378016169.db2.gz SZESIQSHVJXDGW-RLXIPRIJSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001421009163 1378016172 /nfs/dbraw/zinc/01/61/72/1378016172.db2.gz SZESIQSHVJXDGW-RLXIPRIJSA-N 1 3 341.927 2.641 20 0 EFADHO CN(CC(=O)NC1(C)CC[NH+](CCc2ccccc2)CC1)C1CCC1 ZINC001421140930 1378175302 /nfs/dbraw/zinc/17/53/02/1378175302.db2.gz QQGZHTVLRXPBOE-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001421166512 1378214572 /nfs/dbraw/zinc/21/45/72/1378214572.db2.gz GFJOOLJQKCERCH-KRWDZBQOSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001421257579 1378361217 /nfs/dbraw/zinc/36/12/17/1378361217.db2.gz QQRBFSLEHKUQCZ-ICSRJNTNSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)(C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC001421266214 1378378591 /nfs/dbraw/zinc/37/85/91/1378378591.db2.gz IPQQRLQUGYTBOU-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2csc(C)c2)C1 ZINC001421539204 1378778433 /nfs/dbraw/zinc/77/84/33/1378778433.db2.gz JXHNUQIMVRKLEZ-DOTOQJQBSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)sc1C ZINC001421665351 1378970630 /nfs/dbraw/zinc/97/06/30/1378970630.db2.gz BOIPQYMXBDEMAD-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001421699398 1379006615 /nfs/dbraw/zinc/00/66/15/1379006615.db2.gz JRGQWARBZFJVGH-INIZCTEOSA-N 1 3 343.515 2.502 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001421700395 1379008384 /nfs/dbraw/zinc/00/83/84/1379008384.db2.gz LQQVLNFHQTXINI-KBXCAEBGSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001421818613 1379174066 /nfs/dbraw/zinc/17/40/66/1379174066.db2.gz NTTWAIMKEXZLPW-WGPYJDKQSA-N 1 3 327.900 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823197 1379182080 /nfs/dbraw/zinc/18/20/80/1379182080.db2.gz QUWMWBQIWNEGAO-OALUTQOASA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823197 1379182083 /nfs/dbraw/zinc/18/20/83/1379182083.db2.gz QUWMWBQIWNEGAO-OALUTQOASA-N 1 3 331.504 2.744 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001421827911 1379192550 /nfs/dbraw/zinc/19/25/50/1379192550.db2.gz QVEOXKBCMRZEBS-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001421827911 1379192551 /nfs/dbraw/zinc/19/25/51/1379192551.db2.gz QVEOXKBCMRZEBS-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NCC=C(Cl)Cl)CCCC2)CC1 ZINC001421842526 1379223359 /nfs/dbraw/zinc/22/33/59/1379223359.db2.gz VAAKIVCSYGTPJM-UHFFFAOYSA-N 1 3 348.318 2.666 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001421862361 1379259215 /nfs/dbraw/zinc/25/92/15/1379259215.db2.gz BXGXNCITKLDNLX-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001421862361 1379259218 /nfs/dbraw/zinc/25/92/18/1379259218.db2.gz BXGXNCITKLDNLX-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421875360 1379286757 /nfs/dbraw/zinc/28/67/57/1379286757.db2.gz SKRAGIXKBYDVHU-HNAYVOBHSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001421898681 1379324782 /nfs/dbraw/zinc/32/47/82/1379324782.db2.gz CDRJOUVOTNNVAQ-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421926458 1379360314 /nfs/dbraw/zinc/36/03/14/1379360314.db2.gz GJMACENUBUWONL-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001421951325 1379398012 /nfs/dbraw/zinc/39/80/12/1379398012.db2.gz GZUORTXJZCAVGS-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001421964274 1379418777 /nfs/dbraw/zinc/41/87/77/1379418777.db2.gz PHUVFJCOHVRNBI-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001421968716 1379425229 /nfs/dbraw/zinc/42/52/29/1379425229.db2.gz YUGZBQRCRCRDNS-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1sccc1Cl ZINC001421971628 1379427744 /nfs/dbraw/zinc/42/77/44/1379427744.db2.gz HJUVJHDUHODTJW-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1sccc1Cl ZINC001421971628 1379427745 /nfs/dbraw/zinc/42/77/45/1379427745.db2.gz HJUVJHDUHODTJW-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO C[C@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001421991762 1379449338 /nfs/dbraw/zinc/44/93/38/1379449338.db2.gz XXAHKTYWKFXQNZ-UPTPFMHGSA-N 1 3 331.504 2.844 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCCCC1)CC(C)C ZINC001422020225 1379496372 /nfs/dbraw/zinc/49/63/72/1379496372.db2.gz VVFMQCFDPIRJBJ-KRWDZBQOSA-N 1 3 334.508 2.961 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC001422020802 1379497997 /nfs/dbraw/zinc/49/79/97/1379497997.db2.gz ANDXAALGYWBJDH-PUWKQBKRSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001422061717 1379559533 /nfs/dbraw/zinc/55/95/33/1379559533.db2.gz NQEDCXVHDAGHCF-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001422061722 1379559617 /nfs/dbraw/zinc/55/96/17/1379559617.db2.gz NQEDCXVHDAGHCF-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001422061725 1379559671 /nfs/dbraw/zinc/55/96/71/1379559671.db2.gz NQEDCXVHDAGHCF-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001422122543 1379645054 /nfs/dbraw/zinc/64/50/54/1379645054.db2.gz CPJSEOIGKLSLDT-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001422122543 1379645056 /nfs/dbraw/zinc/64/50/56/1379645056.db2.gz CPJSEOIGKLSLDT-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1F ZINC001422133034 1379662647 /nfs/dbraw/zinc/66/26/47/1379662647.db2.gz UISJYBZPRPFQDQ-AEFFLSMTSA-N 1 3 349.494 2.945 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC1CCCCC1 ZINC001422137480 1379671924 /nfs/dbraw/zinc/67/19/24/1379671924.db2.gz VTBSVDJMJGWICM-ZWKOTPCHSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001422202080 1379763549 /nfs/dbraw/zinc/76/35/49/1379763549.db2.gz SVDTZJQHMTTYIL-YLJYHZDGSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001422202080 1379763551 /nfs/dbraw/zinc/76/35/51/1379763551.db2.gz SVDTZJQHMTTYIL-YLJYHZDGSA-N 1 3 343.515 2.796 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2C)C1 ZINC001422245020 1379849334 /nfs/dbraw/zinc/84/93/34/1379849334.db2.gz IUOVXAKYYPYHHU-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2C)C1 ZINC001422245020 1379849341 /nfs/dbraw/zinc/84/93/41/1379849341.db2.gz IUOVXAKYYPYHHU-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001422244837 1379850098 /nfs/dbraw/zinc/85/00/98/1379850098.db2.gz MUXRUSPEELVHTF-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001422244837 1379850100 /nfs/dbraw/zinc/85/01/00/1379850100.db2.gz MUXRUSPEELVHTF-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2C)C1 ZINC001422245010 1379850163 /nfs/dbraw/zinc/85/01/63/1379850163.db2.gz IUOVXAKYYPYHHU-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2C)C1 ZINC001422245010 1379850165 /nfs/dbraw/zinc/85/01/65/1379850165.db2.gz IUOVXAKYYPYHHU-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C(Cl)=C\Cl)CCC1 ZINC001422293549 1379903234 /nfs/dbraw/zinc/90/32/34/1379903234.db2.gz ZHMAIFIWUOYNNS-LACBQNOSSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001438499564 1388641750 /nfs/dbraw/zinc/64/17/50/1388641750.db2.gz OYRFKINCBPRNLY-WBVHZDCISA-N 1 3 331.504 2.882 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001438501078 1388642457 /nfs/dbraw/zinc/64/24/57/1388642457.db2.gz TWWIGJWPSBEYTI-CYBMUJFWSA-N 1 3 337.533 2.691 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001422506056 1380218297 /nfs/dbraw/zinc/21/82/97/1380218297.db2.gz QJXRUDOKYJJDLG-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001422551201 1380303954 /nfs/dbraw/zinc/30/39/54/1380303954.db2.gz KRZCOYFJJJUSKF-ZDUSSCGKSA-N 1 3 337.533 2.643 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCC1CCCC1 ZINC001422559983 1380321816 /nfs/dbraw/zinc/32/18/16/1380321816.db2.gz JMLLIGKMFHLKQP-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCC1CCCC1 ZINC001422559983 1380321815 /nfs/dbraw/zinc/32/18/15/1380321815.db2.gz JMLLIGKMFHLKQP-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001422729561 1380725003 /nfs/dbraw/zinc/72/50/03/1380725003.db2.gz HZZSLKROTIGKMW-LPHOPBHVSA-N 1 3 333.520 2.991 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001422728578 1380725567 /nfs/dbraw/zinc/72/55/67/1380725567.db2.gz LLISNZQBIPCIPP-MRXNPFEDSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@@H](C)NC(=O)CN(C)C3CCC3)C2)cc1C ZINC001422730320 1380726864 /nfs/dbraw/zinc/72/68/64/1380726864.db2.gz MUGVLRTVOOATJL-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001422822498 1380860099 /nfs/dbraw/zinc/86/00/99/1380860099.db2.gz JEMVFBWTBMOUHS-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001422880533 1380992977 /nfs/dbraw/zinc/99/29/77/1380992977.db2.gz RHDIEHIKESFQSY-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001422922302 1381064180 /nfs/dbraw/zinc/06/41/80/1381064180.db2.gz IDFYGYXEYZNSHB-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001422937212 1381092993 /nfs/dbraw/zinc/09/29/93/1381092993.db2.gz VJADVDMHVJXWLK-IEBWSBKVSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCc2ccccc2F)CC1 ZINC001439163065 1389024244 /nfs/dbraw/zinc/02/42/44/1389024244.db2.gz CMQYCEMPBFOAQT-OAHLLOKOSA-N 1 3 335.467 2.540 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001422990493 1381171111 /nfs/dbraw/zinc/17/11/11/1381171111.db2.gz HIHNWYGIYAOCLV-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001422995726 1381177476 /nfs/dbraw/zinc/17/74/76/1381177476.db2.gz PSNZDFKVIWYUTG-RBUKOAKNSA-N 1 3 349.494 2.739 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001423019083 1381218872 /nfs/dbraw/zinc/21/88/72/1381218872.db2.gz JFTDLCMOUMKQJH-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001423020367 1381221618 /nfs/dbraw/zinc/22/16/18/1381221618.db2.gz MFXJAQFETZRQKU-SFHVURJKSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001423071941 1381300930 /nfs/dbraw/zinc/30/09/30/1381300930.db2.gz AUHNKQDCUYZWCT-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC1CC[NH+](C)CC1 ZINC001423100903 1381349201 /nfs/dbraw/zinc/34/92/01/1381349201.db2.gz LJEKPWKFBRLDQY-HUUCEWRRSA-N 1 3 325.497 2.658 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001423101720 1381349750 /nfs/dbraw/zinc/34/97/50/1381349750.db2.gz GBKXCWALJAEPCL-SUMWQHHRSA-N 1 3 339.549 2.888 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438648689 1388718251 /nfs/dbraw/zinc/71/82/51/1388718251.db2.gz GNVFCAYMVLMHLB-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001423136622 1381416307 /nfs/dbraw/zinc/41/63/07/1381416307.db2.gz VPZCOMXPAVTNRZ-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)NCc1ccccc1F ZINC001423168822 1381493697 /nfs/dbraw/zinc/49/36/97/1381493697.db2.gz GKCKMHOHTSHRRS-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001438671645 1388729001 /nfs/dbraw/zinc/72/90/01/1388729001.db2.gz BRBOGAIZPWADFY-XJKSGUPXSA-N 1 3 339.430 2.655 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001438674472 1388731154 /nfs/dbraw/zinc/73/11/54/1388731154.db2.gz JMVWWGPGJPHOGT-RHSMWYFYSA-N 1 3 337.895 2.679 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001423226553 1381624314 /nfs/dbraw/zinc/62/43/14/1381624314.db2.gz IIFAHMAKSVGASO-DLBZAZTESA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001423307014 1381764388 /nfs/dbraw/zinc/76/43/88/1381764388.db2.gz QURWOQRYFHQCAQ-KRWDZBQOSA-N 1 3 343.515 2.674 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001423307014 1381764394 /nfs/dbraw/zinc/76/43/94/1381764394.db2.gz QURWOQRYFHQCAQ-KRWDZBQOSA-N 1 3 343.515 2.674 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@H]1C ZINC001423319778 1381777834 /nfs/dbraw/zinc/77/78/34/1381777834.db2.gz ABKPEEBRYAHVSK-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001423324869 1381785716 /nfs/dbraw/zinc/78/57/16/1381785716.db2.gz HQJKSKVJEODMCS-PYQDRACVSA-N 1 3 335.879 2.693 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001423338260 1381804659 /nfs/dbraw/zinc/80/46/59/1381804659.db2.gz OKOSYPUVDSFIRE-MJERTPDMSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001423338260 1381804664 /nfs/dbraw/zinc/80/46/64/1381804664.db2.gz OKOSYPUVDSFIRE-MJERTPDMSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001423337482 1381805512 /nfs/dbraw/zinc/80/55/12/1381805512.db2.gz OKOSYPUVDSFIRE-KQEHZQRSSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C/C=C/Cl)CC2CC2)CC1 ZINC001423337482 1381805514 /nfs/dbraw/zinc/80/55/14/1381805514.db2.gz OKOSYPUVDSFIRE-KQEHZQRSSA-N 1 3 339.911 2.536 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001438694779 1388744239 /nfs/dbraw/zinc/74/42/39/1388744239.db2.gz QTBDYSXSUMVZRS-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001423372402 1381866339 /nfs/dbraw/zinc/86/63/39/1381866339.db2.gz LZULPNGWZAKLKT-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001423372406 1381866485 /nfs/dbraw/zinc/86/64/85/1381866485.db2.gz LZULPNGWZAKLKT-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1c(C)cccc1Cl ZINC001438701201 1388748196 /nfs/dbraw/zinc/74/81/96/1388748196.db2.gz OWFVSWUERSLNQA-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1c(C)cccc1Cl ZINC001438701201 1388748198 /nfs/dbraw/zinc/74/81/98/1388748198.db2.gz OWFVSWUERSLNQA-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001423646155 1382217569 /nfs/dbraw/zinc/21/75/69/1382217569.db2.gz PQOOMWVAZPFYQM-YLJYHZDGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001423646145 1382217991 /nfs/dbraw/zinc/21/79/91/1382217991.db2.gz PQOOMWVAZPFYQM-PXNSSMCTSA-N 1 3 331.504 2.918 20 0 EFADHO CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001423667500 1382253385 /nfs/dbraw/zinc/25/33/85/1382253385.db2.gz QAGSXSKPCCVBTP-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001423703115 1382319283 /nfs/dbraw/zinc/31/92/83/1382319283.db2.gz JGPRVMRZHQQCNH-HXUWFJFHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001423703115 1382319288 /nfs/dbraw/zinc/31/92/88/1382319288.db2.gz JGPRVMRZHQQCNH-HXUWFJFHSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@]2(C)CCC[N@H+](CC3CC3)C2)c1 ZINC001423705368 1382323168 /nfs/dbraw/zinc/32/31/68/1382323168.db2.gz NATOADOAJXFZAA-NRFANRHFSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@]2(C)CCC[N@@H+](CC3CC3)C2)c1 ZINC001423705368 1382323176 /nfs/dbraw/zinc/32/31/76/1382323176.db2.gz NATOADOAJXFZAA-NRFANRHFSA-N 1 3 343.515 2.990 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(CF)cc2)C1 ZINC001423950689 1382537809 /nfs/dbraw/zinc/53/78/09/1382537809.db2.gz PRSAYTRZGBRNSF-APWZRJJASA-N 1 3 349.494 2.825 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)C/C=C/Cl)CC2)CC[N@@H+]1C ZINC001438760748 1388791783 /nfs/dbraw/zinc/79/17/83/1388791783.db2.gz BUVIHYCYECKOQL-IUZRFUNMSA-N 1 3 341.927 2.640 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)C/C=C/Cl)CC2)CC[N@H+]1C ZINC001438760748 1388791790 /nfs/dbraw/zinc/79/17/90/1388791790.db2.gz BUVIHYCYECKOQL-IUZRFUNMSA-N 1 3 341.927 2.640 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001423979176 1382587486 /nfs/dbraw/zinc/58/74/86/1382587486.db2.gz KXLXFHNEFNFDFI-ACDBMABISA-N 1 3 343.515 2.888 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001423979176 1382587490 /nfs/dbraw/zinc/58/74/90/1382587490.db2.gz KXLXFHNEFNFDFI-ACDBMABISA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001424084884 1382744536 /nfs/dbraw/zinc/74/45/36/1382744536.db2.gz BCECYEKVDGSJHB-SZVBFZGTSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC2)cc1 ZINC001424163088 1382812656 /nfs/dbraw/zinc/81/26/56/1382812656.db2.gz HQAQFAZYXGYYNR-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2cc3ccccc3o2)CCC1 ZINC001424202268 1382858202 /nfs/dbraw/zinc/85/82/02/1382858202.db2.gz MXKDBBPWJDIWDC-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2cc3ccccc3o2)CCC1 ZINC001424202268 1382858208 /nfs/dbraw/zinc/85/82/08/1382858208.db2.gz MXKDBBPWJDIWDC-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCc1ccccc1F ZINC001424485703 1383045759 /nfs/dbraw/zinc/04/57/59/1383045759.db2.gz MCZIYTRXKGMMIV-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001424573605 1383128811 /nfs/dbraw/zinc/12/88/11/1383128811.db2.gz YVCJKXNRLNJHTO-KYNGSXCRSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]([NH2+]C/C=C\Cl)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001438819260 1388840271 /nfs/dbraw/zinc/84/02/71/1388840271.db2.gz BWYDOTBNGYQTRT-YFKBFVAJSA-N 1 3 341.927 2.688 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCC1)C1CCC1 ZINC001424707549 1383281437 /nfs/dbraw/zinc/28/14/37/1383281437.db2.gz OZLLPPVLSIZRRI-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCC1)C1CCC1 ZINC001424707549 1383281439 /nfs/dbraw/zinc/28/14/39/1383281439.db2.gz OZLLPPVLSIZRRI-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CCc1ccccc1F)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001424715610 1383289907 /nfs/dbraw/zinc/28/99/07/1383289907.db2.gz NVIXVJZBXISKQR-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001424719443 1383293378 /nfs/dbraw/zinc/29/33/78/1383293378.db2.gz RPKOBLAIUUDBER-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001424719443 1383293385 /nfs/dbraw/zinc/29/33/85/1383293385.db2.gz RPKOBLAIUUDBER-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1)N(C)C ZINC001424888339 1383464001 /nfs/dbraw/zinc/46/40/01/1383464001.db2.gz XKOCUAUIZJJHIW-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001425267368 1383582425 /nfs/dbraw/zinc/58/24/25/1383582425.db2.gz KKMYNTDSZPQPSY-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001425267368 1383582437 /nfs/dbraw/zinc/58/24/37/1383582437.db2.gz KKMYNTDSZPQPSY-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001425557337 1383689987 /nfs/dbraw/zinc/68/99/87/1383689987.db2.gz NYQUXKKEYIWXTP-LBPRGKRZSA-N 1 3 343.924 2.822 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425683145 1383758219 /nfs/dbraw/zinc/75/82/19/1383758219.db2.gz POUFEKWJCAAVCF-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001425685964 1383762892 /nfs/dbraw/zinc/76/28/92/1383762892.db2.gz WKMPYOIBJKDJON-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2CC)C[C@H]1C ZINC001425915823 1383851703 /nfs/dbraw/zinc/85/17/03/1383851703.db2.gz NQIQUORMXQQYPV-YLJYHZDGSA-N 1 3 345.531 2.712 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001425969618 1383908187 /nfs/dbraw/zinc/90/81/87/1383908187.db2.gz PPMUZUVTMGDBCH-MOPGFXCFSA-N 1 3 331.504 2.711 20 0 EFADHO CCc1ccccc1CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001438904864 1388907641 /nfs/dbraw/zinc/90/76/41/1388907641.db2.gz QOUOPHBIZDJRRH-LJQANCHMSA-N 1 3 333.520 2.725 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001426871212 1384606456 /nfs/dbraw/zinc/60/64/56/1384606456.db2.gz MQQVIPAJEZLWET-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001426871212 1384606461 /nfs/dbraw/zinc/60/64/61/1384606461.db2.gz MQQVIPAJEZLWET-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C1(N(C)C)CCC1 ZINC001439074776 1388980428 /nfs/dbraw/zinc/98/04/28/1388980428.db2.gz UTKVPTMALYGXNB-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001439075265 1388981427 /nfs/dbraw/zinc/98/14/27/1388981427.db2.gz SKSVEMHDRARXSB-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCCN1C)[NH+]1CCCCCC1 ZINC001428358233 1385416572 /nfs/dbraw/zinc/41/65/72/1385416572.db2.gz XTFVJDJXPOKQET-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)c2ccccc2)CC1 ZINC001433621356 1386936937 /nfs/dbraw/zinc/93/69/37/1386936937.db2.gz SKBUDFSGIGNJOQ-IBGZPJMESA-N 1 3 343.515 2.918 20 0 EFADHO CCC[C@H]1CN(C(=O)C2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001433846273 1387002145 /nfs/dbraw/zinc/00/21/45/1387002145.db2.gz GTJMLSAQEVILND-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[C@H]1CN(C(=O)C2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001433846273 1387002148 /nfs/dbraw/zinc/00/21/48/1387002148.db2.gz GTJMLSAQEVILND-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001434438616 1387150669 /nfs/dbraw/zinc/15/06/69/1387150669.db2.gz SKJRHSUMSCXWBS-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001434438616 1387150675 /nfs/dbraw/zinc/15/06/75/1387150675.db2.gz SKJRHSUMSCXWBS-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001439173044 1389030321 /nfs/dbraw/zinc/03/03/21/1389030321.db2.gz DXSYILTXNRSOGB-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc2c(c1)CCC2 ZINC001439220086 1389055015 /nfs/dbraw/zinc/05/50/15/1389055015.db2.gz FPCTZNSNTAXLOZ-JKSUJKDBSA-N 1 3 343.515 2.815 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439364235 1389190522 /nfs/dbraw/zinc/19/05/22/1389190522.db2.gz NCMPWPONGWSYOS-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439364242 1389191182 /nfs/dbraw/zinc/19/11/82/1389191182.db2.gz NCMPWPONGWSYOS-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001439373690 1389205221 /nfs/dbraw/zinc/20/52/21/1389205221.db2.gz UYLCXLHCQVTTEK-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001439414551 1389270290 /nfs/dbraw/zinc/27/02/90/1389270290.db2.gz BMXDLAZQYYVUNN-MJGOQNOKSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001440220023 1389450924 /nfs/dbraw/zinc/45/09/24/1389450924.db2.gz BXNZORVZBNHJBJ-QLBHFUSHSA-N 1 3 337.552 2.883 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257240 1389480977 /nfs/dbraw/zinc/48/09/77/1389480977.db2.gz UNDPFUKHBODVFT-GOSISDBHSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](CC)N(C)C)CCC1 ZINC001440355012 1389559770 /nfs/dbraw/zinc/55/97/70/1389559770.db2.gz HXGCXJBFZOLFNM-GOSISDBHSA-N 1 3 331.504 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(F)c2)CC1 ZINC001440392756 1389589025 /nfs/dbraw/zinc/58/90/25/1389589025.db2.gz AKKCFPNUFAEYNL-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2)CC1 ZINC001440392756 1389589028 /nfs/dbraw/zinc/58/90/28/1389589028.db2.gz AKKCFPNUFAEYNL-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)CC1)CC(C)(C)C ZINC001440399695 1389597653 /nfs/dbraw/zinc/59/76/53/1389597653.db2.gz UXVQKVMEKSGIQM-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)CC1)CC(C)(C)C ZINC001440399695 1389597659 /nfs/dbraw/zinc/59/76/59/1389597659.db2.gz UXVQKVMEKSGIQM-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CCCN1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001440580111 1389759958 /nfs/dbraw/zinc/75/99/58/1389759958.db2.gz ZDWLFLITTQQPLM-UHFFFAOYSA-N 1 3 329.488 2.904 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccccc1Cl ZINC001440596164 1389764001 /nfs/dbraw/zinc/76/40/01/1389764001.db2.gz XVXLQPJAYDRPHY-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001440610606 1389773144 /nfs/dbraw/zinc/77/31/44/1389773144.db2.gz SGEYDIVRXFZQTE-DOTOQJQBSA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C(C)C)(c2ccccc2)CC1 ZINC001440617203 1389776542 /nfs/dbraw/zinc/77/65/42/1389776542.db2.gz CYRQWUBBKLOLOP-UHFFFAOYSA-N 1 3 345.531 2.887 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001440647234 1389795517 /nfs/dbraw/zinc/79/55/17/1389795517.db2.gz KCFAGRJUHSKODR-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001440647234 1389795521 /nfs/dbraw/zinc/79/55/21/1389795521.db2.gz KCFAGRJUHSKODR-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001440665443 1389807656 /nfs/dbraw/zinc/80/76/56/1389807656.db2.gz WPNIUQDTZMZXEW-AWEZNQCLSA-N 1 3 345.478 2.781 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001440732666 1389853690 /nfs/dbraw/zinc/85/36/90/1389853690.db2.gz ZUCGUMIBYQRAOX-ABHNRTSZSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001440732666 1389853694 /nfs/dbraw/zinc/85/36/94/1389853694.db2.gz ZUCGUMIBYQRAOX-ABHNRTSZSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751471 1389869665 /nfs/dbraw/zinc/86/96/65/1389869665.db2.gz WGQXYFQFHPJCMG-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751471 1389869671 /nfs/dbraw/zinc/86/96/71/1389869671.db2.gz WGQXYFQFHPJCMG-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CC(C)(C)C[NH2+]Cc1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001440877457 1389973250 /nfs/dbraw/zinc/97/32/50/1389973250.db2.gz PWKRRHPPHPUXET-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001440885258 1389975769 /nfs/dbraw/zinc/97/57/69/1389975769.db2.gz JGMTUYWOTGAUAT-SFHVURJKSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001440941743 1390030345 /nfs/dbraw/zinc/03/03/45/1390030345.db2.gz VTHQHIZLNOHXRT-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001440941743 1390030351 /nfs/dbraw/zinc/03/03/51/1390030351.db2.gz VTHQHIZLNOHXRT-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001440955047 1390044244 /nfs/dbraw/zinc/04/42/44/1390044244.db2.gz LNSFQZWUDMXRSC-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@H](C)c1ccc(F)cc1 ZINC001440964474 1390054393 /nfs/dbraw/zinc/05/43/93/1390054393.db2.gz VANODNXVRIXIJD-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001440965157 1390055679 /nfs/dbraw/zinc/05/56/79/1390055679.db2.gz XBESWWLHHWPIAD-LIRRHRJNSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001440972091 1390063445 /nfs/dbraw/zinc/06/34/45/1390063445.db2.gz SRPFBUZQLGDTEE-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001440972091 1390063448 /nfs/dbraw/zinc/06/34/48/1390063448.db2.gz SRPFBUZQLGDTEE-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C ZINC001440996701 1391018055 /nfs/dbraw/zinc/01/80/55/1391018055.db2.gz MUKFGUGOQSLMAK-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001440996701 1391018058 /nfs/dbraw/zinc/01/80/58/1391018058.db2.gz MUKFGUGOQSLMAK-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO Cc1cccnc1CN[C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001223 1391021749 /nfs/dbraw/zinc/02/17/49/1391021749.db2.gz QQWHZXDAFOEDNQ-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001441159301 1391154238 /nfs/dbraw/zinc/15/42/38/1391154238.db2.gz LMIDHFWNKXEECA-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001441168100 1391156143 /nfs/dbraw/zinc/15/61/43/1391156143.db2.gz ZPMXZPFNLDLZOF-PXNSSMCTSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001441186224 1391166771 /nfs/dbraw/zinc/16/67/71/1391166771.db2.gz ZPMXZPFNLDLZOF-YLJYHZDGSA-N 1 3 345.531 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001441199537 1391176014 /nfs/dbraw/zinc/17/60/14/1391176014.db2.gz DOAMVNKQWGHWHT-SFHVURJKSA-N 1 3 345.531 2.890 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001441387310 1391277339 /nfs/dbraw/zinc/27/73/39/1391277339.db2.gz WFLJVZVELMUTHR-XMTFNYHQSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001441388272 1391278406 /nfs/dbraw/zinc/27/84/06/1391278406.db2.gz YUERLWNDJLVTKT-IYARVYRRSA-N 1 3 343.515 2.833 20 0 EFADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001441521250 1391349103 /nfs/dbraw/zinc/34/91/03/1391349103.db2.gz GGPCWRFAIYXMBM-GOSISDBHSA-N 1 3 345.531 2.930 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001441553860 1391361764 /nfs/dbraw/zinc/36/17/64/1391361764.db2.gz KZXGHZRJFQTGNT-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001441553860 1391361768 /nfs/dbraw/zinc/36/17/68/1391361768.db2.gz KZXGHZRJFQTGNT-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001441617109 1391387521 /nfs/dbraw/zinc/38/75/21/1391387521.db2.gz CCMINUDBAJOOHJ-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1 ZINC001444211321 1391461547 /nfs/dbraw/zinc/46/15/47/1391461547.db2.gz OMFFUCANIUHDPQ-IBGZPJMESA-N 1 3 331.504 2.923 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccc1F ZINC001444820636 1391510741 /nfs/dbraw/zinc/51/07/41/1391510741.db2.gz DKVPARNPLBDUCY-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccc1F ZINC001444820636 1391510744 /nfs/dbraw/zinc/51/07/44/1391510744.db2.gz DKVPARNPLBDUCY-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001446941044 1391641161 /nfs/dbraw/zinc/64/11/61/1391641161.db2.gz HPSNPMOMEMZGSW-WMZOPIPTSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001446959505 1391647012 /nfs/dbraw/zinc/64/70/12/1391647012.db2.gz VMKMZAGDMIENKU-QDMKHBRRSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001446959505 1391647015 /nfs/dbraw/zinc/64/70/15/1391647015.db2.gz VMKMZAGDMIENKU-QDMKHBRRSA-N 1 3 349.441 2.640 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001447042832 1391670191 /nfs/dbraw/zinc/67/01/91/1391670191.db2.gz LXJWJJCBAMKYJW-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001447042832 1391670195 /nfs/dbraw/zinc/67/01/95/1391670195.db2.gz LXJWJJCBAMKYJW-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO C[NH+](C)CC1(C(=O)NCc2ccc3c(c2)CN(CCC2CC2)C3)CC1 ZINC001447497253 1391717030 /nfs/dbraw/zinc/71/70/30/1391717030.db2.gz QFQYARQMDGQCLM-UHFFFAOYSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2)C1 ZINC001447971233 1391866479 /nfs/dbraw/zinc/86/64/79/1391866479.db2.gz NSAKBQASWQKTKG-KRWDZBQOSA-N 1 3 331.504 2.603 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)cc1 ZINC001449051509 1392236446 /nfs/dbraw/zinc/23/64/46/1392236446.db2.gz XDDSTMSFKIOTOM-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001449064518 1392246622 /nfs/dbraw/zinc/24/66/22/1392246622.db2.gz WVONMMUMLBUWGD-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001449065772 1392247429 /nfs/dbraw/zinc/24/74/29/1392247429.db2.gz YGQJUEHBSIWRNO-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC001461341679 1396371984 /nfs/dbraw/zinc/37/19/84/1396371984.db2.gz AQTLUFYYFBEGDZ-DLBZAZTESA-N 1 3 340.414 2.755 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC001464637315 1396592185 /nfs/dbraw/zinc/59/21/85/1396592185.db2.gz FGJVANOXXWHFGU-SFHVURJKSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC001464637315 1396592186 /nfs/dbraw/zinc/59/21/86/1396592186.db2.gz FGJVANOXXWHFGU-SFHVURJKSA-N 1 3 349.494 2.836 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001464636889 1396592532 /nfs/dbraw/zinc/59/25/32/1396592532.db2.gz DNAIXSDEHSTTLA-UHFFFAOYSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289276 1406853943 /nfs/dbraw/zinc/85/39/43/1406853943.db2.gz QVYIXVOGYWYTSO-CRAIPNDOSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289877 1406854328 /nfs/dbraw/zinc/85/43/28/1406854328.db2.gz VQSYJVDSNQONKQ-MJGOQNOKSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289278 1406854439 /nfs/dbraw/zinc/85/44/39/1406854439.db2.gz QVYIXVOGYWYTSO-QAPCUYQASA-N 1 3 349.494 2.883 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001470298168 1397084444 /nfs/dbraw/zinc/08/44/44/1397084444.db2.gz RETYPCAQJCRQHE-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCCCN2C)c1 ZINC001471510370 1397180542 /nfs/dbraw/zinc/18/05/42/1397180542.db2.gz XENJPRCFWMJYEM-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO CC[NH+]1CCC(CN2CCCN(C(=O)c3ccccc3F)CC2)CC1 ZINC001474401739 1397370672 /nfs/dbraw/zinc/37/06/72/1397370672.db2.gz AADFJWHUIATBGM-UHFFFAOYSA-N 1 3 347.478 2.706 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001479271122 1397660668 /nfs/dbraw/zinc/66/06/68/1397660668.db2.gz RCMJUWMPIDTPFK-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001479320185 1397683769 /nfs/dbraw/zinc/68/37/69/1397683769.db2.gz BDKNCUSSFRAPGN-XEYPJELSSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479369304 1397705415 /nfs/dbraw/zinc/70/54/15/1397705415.db2.gz ZOQXHBKVWOTMAM-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479369304 1397705417 /nfs/dbraw/zinc/70/54/17/1397705417.db2.gz ZOQXHBKVWOTMAM-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001479397286 1397714036 /nfs/dbraw/zinc/71/40/36/1397714036.db2.gz APYQHNXPEKKOTM-RBSFLKMASA-N 1 3 349.441 2.686 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001479398220 1397714221 /nfs/dbraw/zinc/71/42/21/1397714221.db2.gz DUBMQPRDMKKIKS-USJZOSNVSA-N 1 3 335.467 2.711 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001479407020 1397716705 /nfs/dbraw/zinc/71/67/05/1397716705.db2.gz LKJLPPMBGVUTLY-BZUAXINKSA-N 1 3 335.467 2.713 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001479407020 1397716708 /nfs/dbraw/zinc/71/67/08/1397716708.db2.gz LKJLPPMBGVUTLY-BZUAXINKSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001479407496 1397716763 /nfs/dbraw/zinc/71/67/63/1397716763.db2.gz COYISYGWEWOBDK-LNLFQRSKSA-N 1 3 331.504 2.882 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(F)(F)F ZINC001479833472 1397927963 /nfs/dbraw/zinc/92/79/63/1397927963.db2.gz JNIWRRBNQCIKMD-ZIAGYGMSSA-N 1 3 337.430 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC(F)(F)F ZINC001479833471 1397928052 /nfs/dbraw/zinc/92/80/52/1397928052.db2.gz JNIWRRBNQCIKMD-UONOGXRCSA-N 1 3 337.430 2.640 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480664919 1398271217 /nfs/dbraw/zinc/27/12/17/1398271217.db2.gz HFRQEQLMAVITKZ-KRWDZBQOSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480675286 1398277003 /nfs/dbraw/zinc/27/70/03/1398277003.db2.gz FRQUGNWVWNNYMK-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001493023923 1398368105 /nfs/dbraw/zinc/36/81/05/1398368105.db2.gz YACHDMQZVKNKKA-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001493023923 1398368109 /nfs/dbraw/zinc/36/81/09/1398368109.db2.gz YACHDMQZVKNKKA-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCc1ccccc1 ZINC001493028591 1398373691 /nfs/dbraw/zinc/37/36/91/1398373691.db2.gz NSTDYJFHNKNSDF-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(C)C)CCc1ccccc1 ZINC001493028591 1398373700 /nfs/dbraw/zinc/37/37/00/1398373700.db2.gz NSTDYJFHNKNSDF-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCc3c2cccc3Cl)CCC1 ZINC001493575129 1398758767 /nfs/dbraw/zinc/75/87/67/1398758767.db2.gz UKJNADJTCICHSH-KRWDZBQOSA-N 1 3 349.906 2.860 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001493590411 1398765326 /nfs/dbraw/zinc/76/53/26/1398765326.db2.gz JBQJXBGHNBTPTO-DNVCBOLYSA-N 1 3 331.504 2.625 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001507379892 1406984488 /nfs/dbraw/zinc/98/44/88/1406984488.db2.gz CIGVTTXMDGWYID-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493845619 1398918326 /nfs/dbraw/zinc/91/83/26/1398918326.db2.gz ZOZUKRXUUPLVEM-ICFOYXHFSA-N 1 3 341.927 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccc(C)cc1 ZINC001493931328 1398983460 /nfs/dbraw/zinc/98/34/60/1398983460.db2.gz WXFPZLMNWDPNOR-BGYRXZFFSA-N 1 3 343.515 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccc(C)cc1 ZINC001493931328 1398983466 /nfs/dbraw/zinc/98/34/66/1398983466.db2.gz WXFPZLMNWDPNOR-BGYRXZFFSA-N 1 3 343.515 2.555 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001494137471 1399159461 /nfs/dbraw/zinc/15/94/61/1399159461.db2.gz MYHGLUUGCZCNMQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001494137471 1399159465 /nfs/dbraw/zinc/15/94/65/1399159465.db2.gz MYHGLUUGCZCNMQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137415 1399159620 /nfs/dbraw/zinc/15/96/20/1399159620.db2.gz MEOWWAFVPIKBKC-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137415 1399159627 /nfs/dbraw/zinc/15/96/27/1399159627.db2.gz MEOWWAFVPIKBKC-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001507398310 1407010574 /nfs/dbraw/zinc/01/05/74/1407010574.db2.gz IYLAIHPQSXYJLD-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001494558328 1399378450 /nfs/dbraw/zinc/37/84/50/1399378450.db2.gz CXVHCFSBAPXIPN-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C)c(C[NH+]2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001494593070 1399393297 /nfs/dbraw/zinc/39/32/97/1399393297.db2.gz GZDXKNXLEHOZFK-OAHLLOKOSA-N 1 3 343.515 2.502 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCCc2ccccc21 ZINC001495098213 1399662728 /nfs/dbraw/zinc/66/27/28/1399662728.db2.gz YQXZBZSCHPJGBN-HKUYNNGSSA-N 1 3 331.504 2.890 20 0 EFADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)C1 ZINC001495136442 1399691463 /nfs/dbraw/zinc/69/14/63/1399691463.db2.gz IIXSGZYRVYSTON-KVWWFHCMSA-N 1 3 331.504 2.892 20 0 EFADHO CN(CC(=O)N[C@](C)(C[NH2+]Cc1cccc(F)c1)C1CC1)C1CCC1 ZINC001495258691 1399773819 /nfs/dbraw/zinc/77/38/19/1399773819.db2.gz MGVVGVVQGKEYRA-HXUWFJFHSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F)N(C)C ZINC001495578344 1400094510 /nfs/dbraw/zinc/09/45/10/1400094510.db2.gz UYMINUAMEUOGJG-IEBWSBKVSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001495670543 1400154646 /nfs/dbraw/zinc/15/46/46/1400154646.db2.gz ZGSASBQNLAHYNP-HKUYNNGSSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001495670550 1400155161 /nfs/dbraw/zinc/15/51/61/1400155161.db2.gz ZGSASBQNLAHYNP-PKOBYXMFSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001495684185 1400164481 /nfs/dbraw/zinc/16/44/81/1400164481.db2.gz MHMMRTFTIOIZDI-HNNXBMFYSA-N 1 3 331.504 2.630 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCC1 ZINC001495918452 1400355386 /nfs/dbraw/zinc/35/53/86/1400355386.db2.gz GTIZAVHPMUHJAX-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496078140 1400456881 /nfs/dbraw/zinc/45/68/81/1400456881.db2.gz GYZBFOXMYPQHBO-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496239860 1400564673 /nfs/dbraw/zinc/56/46/73/1400564673.db2.gz UWFILPYGZCTBSU-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ncccc1C)N(C)C ZINC001496411884 1400713718 /nfs/dbraw/zinc/71/37/18/1400713718.db2.gz PEVPCUPQGQOSMN-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001496446614 1400736925 /nfs/dbraw/zinc/73/69/25/1400736925.db2.gz FONBMNOWYPDAPT-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001496561650 1400829036 /nfs/dbraw/zinc/82/90/36/1400829036.db2.gz KGJFIDKMECLGSF-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C(C)C)cs1 ZINC001496562703 1400829608 /nfs/dbraw/zinc/82/96/08/1400829608.db2.gz SITAIUDLIOBGMH-KRWDZBQOSA-N 1 3 337.533 2.771 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C(C)C)cs1 ZINC001496562704 1400829972 /nfs/dbraw/zinc/82/99/72/1400829972.db2.gz SITAIUDLIOBGMH-QGZVFWFLSA-N 1 3 337.533 2.771 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496707244 1400932429 /nfs/dbraw/zinc/93/24/29/1400932429.db2.gz MZJMODPYMLMQIX-HDMKZQKVSA-N 1 3 335.467 2.617 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496707244 1400932431 /nfs/dbraw/zinc/93/24/31/1400932431.db2.gz MZJMODPYMLMQIX-HDMKZQKVSA-N 1 3 335.467 2.617 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)Cc2ccc3c(c2)CCC3)CCC1 ZINC001496717560 1400938597 /nfs/dbraw/zinc/93/85/97/1400938597.db2.gz XNRLQPICSBACTR-UHFFFAOYSA-N 1 3 343.515 2.550 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)Cc2ccc3c(c2)CCC3)CCC1 ZINC001496717560 1400938599 /nfs/dbraw/zinc/93/85/99/1400938599.db2.gz XNRLQPICSBACTR-UHFFFAOYSA-N 1 3 343.515 2.550 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001496717521 1400939026 /nfs/dbraw/zinc/93/90/26/1400939026.db2.gz WTEJJNUPBJTEOQ-LJQANCHMSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001496717521 1400939033 /nfs/dbraw/zinc/93/90/33/1400939033.db2.gz WTEJJNUPBJTEOQ-LJQANCHMSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001496770171 1400971097 /nfs/dbraw/zinc/97/10/97/1400971097.db2.gz PRLQIMHBHHSPAE-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001496781369 1400980249 /nfs/dbraw/zinc/98/02/49/1400980249.db2.gz OJUIZOQZFIMSIS-SFHVURJKSA-N 1 3 345.531 2.524 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001496781369 1400980250 /nfs/dbraw/zinc/98/02/50/1400980250.db2.gz OJUIZOQZFIMSIS-SFHVURJKSA-N 1 3 345.531 2.524 20 0 EFADHO CN(CCN(C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496836387 1401024565 /nfs/dbraw/zinc/02/45/65/1401024565.db2.gz RHQIZVYLWSZDAI-VQIMIIECSA-N 1 3 347.478 2.545 20 0 EFADHO CN(CCN(C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496836387 1401024571 /nfs/dbraw/zinc/02/45/71/1401024571.db2.gz RHQIZVYLWSZDAI-VQIMIIECSA-N 1 3 347.478 2.545 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001496887683 1401078155 /nfs/dbraw/zinc/07/81/55/1401078155.db2.gz LWNGEGBUAWVTEO-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001496903023 1401090428 /nfs/dbraw/zinc/09/04/28/1401090428.db2.gz FAKZKWZLYPPZRS-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001496916148 1401100924 /nfs/dbraw/zinc/10/09/24/1401100924.db2.gz OYAJTDVIZMNEIY-LPHOPBHVSA-N 1 3 349.494 2.850 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)CN1CC[C@H](C)C1 ZINC001497453741 1401386273 /nfs/dbraw/zinc/38/62/73/1401386273.db2.gz FQVKPTPNMFABJH-WMZOPIPTSA-N 1 3 331.504 2.836 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001497816765 1401671847 /nfs/dbraw/zinc/67/18/47/1401671847.db2.gz CCLJGLIRLNMJFQ-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001497833912 1401684485 /nfs/dbraw/zinc/68/44/85/1401684485.db2.gz VOSSUSZMNORZLJ-GUXCAODWSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001497833913 1401684636 /nfs/dbraw/zinc/68/46/36/1401684636.db2.gz VOSSUSZMNORZLJ-QINHECLXSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)CN(C)C1CCC1 ZINC001498053197 1401832863 /nfs/dbraw/zinc/83/28/63/1401832863.db2.gz HKJOCWIOKBZFPQ-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001498056345 1401834963 /nfs/dbraw/zinc/83/49/63/1401834963.db2.gz QIXNHMOGDKRBJD-JVPBZIDWSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001498078378 1401846487 /nfs/dbraw/zinc/84/64/87/1401846487.db2.gz UUFBLGPDZHSVHZ-INIZCTEOSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)CCC[NH+]1CCCC1 ZINC001498196950 1401903480 /nfs/dbraw/zinc/90/34/80/1401903480.db2.gz CTLLQNMTSJQVDS-HOTGVXAUSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312338 1401999313 /nfs/dbraw/zinc/99/93/13/1401999313.db2.gz JHDLLEXPZKLYKC-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312338 1401999317 /nfs/dbraw/zinc/99/93/17/1401999317.db2.gz JHDLLEXPZKLYKC-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001498382558 1402056540 /nfs/dbraw/zinc/05/65/40/1402056540.db2.gz WKOKQFIIMITVRD-GOSISDBHSA-N 1 3 347.547 2.952 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001498382558 1402056544 /nfs/dbraw/zinc/05/65/44/1402056544.db2.gz WKOKQFIIMITVRD-GOSISDBHSA-N 1 3 347.547 2.952 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001498428790 1402095192 /nfs/dbraw/zinc/09/51/92/1402095192.db2.gz KLGHRWDDIMELRJ-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001498428790 1402095197 /nfs/dbraw/zinc/09/51/97/1402095197.db2.gz KLGHRWDDIMELRJ-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001498457567 1402119020 /nfs/dbraw/zinc/11/90/20/1402119020.db2.gz RXIHIVZIWFYZIP-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001498890973 1402362938 /nfs/dbraw/zinc/36/29/38/1402362938.db2.gz XTVQEUPLPOKXJR-DZGCQCFKSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)(C)[C@H](CNCc1ccccn1)NC(=O)CCC[NH+]1CCCC1 ZINC001508035818 1407256258 /nfs/dbraw/zinc/25/62/58/1407256258.db2.gz MYTHMWCGMZBELR-SFHVURJKSA-N 1 3 346.519 2.578 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001499243246 1402535139 /nfs/dbraw/zinc/53/51/39/1402535139.db2.gz DFZKVDMERZPJEL-SFHVURJKSA-N 1 3 347.478 2.747 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001499243246 1402535141 /nfs/dbraw/zinc/53/51/41/1402535141.db2.gz DFZKVDMERZPJEL-SFHVURJKSA-N 1 3 347.478 2.747 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C(C)C)CC1)N(C)C ZINC001499263401 1402542408 /nfs/dbraw/zinc/54/24/08/1402542408.db2.gz FOCVZCMARMPFDX-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001500380039 1403085219 /nfs/dbraw/zinc/08/52/19/1403085219.db2.gz IZTUTICRBFKHSF-HXUWFJFHSA-N 1 3 340.471 2.597 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(CC)c2)C1 ZINC001500397063 1403095259 /nfs/dbraw/zinc/09/52/59/1403095259.db2.gz NYBFVVPZMVJIMU-NRFANRHFSA-N 1 3 345.531 2.919 20 0 EFADHO CC1CC(C[NH+]2CCC(C)(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001500429235 1403116839 /nfs/dbraw/zinc/11/68/39/1403116839.db2.gz XFETVZHSHZMGTA-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001501960304 1403906685 /nfs/dbraw/zinc/90/66/85/1403906685.db2.gz KLSTWCRYYOLJHS-GOSISDBHSA-N 1 3 347.478 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001501960304 1403906689 /nfs/dbraw/zinc/90/66/89/1403906689.db2.gz KLSTWCRYYOLJHS-GOSISDBHSA-N 1 3 347.478 2.829 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCc2cc3ccccc3o2)CCC1 ZINC001501994910 1403933910 /nfs/dbraw/zinc/93/39/10/1403933910.db2.gz PTVPUUUZVZUNDG-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001502125710 1404018999 /nfs/dbraw/zinc/01/89/99/1404018999.db2.gz IYPPIDRISZLUNY-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001502125710 1404019008 /nfs/dbraw/zinc/01/90/08/1404019008.db2.gz IYPPIDRISZLUNY-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001502375750 1404115125 /nfs/dbraw/zinc/11/51/25/1404115125.db2.gz SQNRQONMBBHGHC-QZTJIDSGSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001502375750 1404115131 /nfs/dbraw/zinc/11/51/31/1404115131.db2.gz SQNRQONMBBHGHC-QZTJIDSGSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001502375749 1404115730 /nfs/dbraw/zinc/11/57/30/1404115730.db2.gz SQNRQONMBBHGHC-MSOLQXFVSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001502375749 1404115735 /nfs/dbraw/zinc/11/57/35/1404115735.db2.gz SQNRQONMBBHGHC-MSOLQXFVSA-N 1 3 331.504 2.870 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001502378670 1404117713 /nfs/dbraw/zinc/11/77/13/1404117713.db2.gz GKLNMRBPQZSINC-GOSISDBHSA-N 1 3 344.434 2.559 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001502378670 1404117724 /nfs/dbraw/zinc/11/77/24/1404117724.db2.gz GKLNMRBPQZSINC-GOSISDBHSA-N 1 3 344.434 2.559 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)CC1(C)C ZINC001502835730 1404391237 /nfs/dbraw/zinc/39/12/37/1404391237.db2.gz AKJLKQDBVGVWPZ-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC(CC)CC)CC1(C)C ZINC001502835730 1404391242 /nfs/dbraw/zinc/39/12/42/1404391242.db2.gz AKJLKQDBVGVWPZ-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001503463653 1404484584 /nfs/dbraw/zinc/48/45/84/1404484584.db2.gz YXRHWMXWEOMABN-ZOCIIQOWSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001505408652 1404566500 /nfs/dbraw/zinc/56/65/00/1404566500.db2.gz HDVNFTBHRTWLBS-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001506043636 1405395687 /nfs/dbraw/zinc/39/56/87/1405395687.db2.gz UGGRYWMLRGNEHB-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001506043636 1405395695 /nfs/dbraw/zinc/39/56/95/1405395695.db2.gz UGGRYWMLRGNEHB-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001506628697 1406064444 /nfs/dbraw/zinc/06/44/44/1406064444.db2.gz XBILDQGBVYTEBZ-HOTGVXAUSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCC2CCCC2)C1)N(C)C ZINC001506649937 1406099179 /nfs/dbraw/zinc/09/91/79/1406099179.db2.gz KPNZCYAGAMCGRW-QFBILLFUSA-N 1 3 337.552 2.980 20 0 EFADHO COc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cc1F ZINC001551237445 1413969621 /nfs/dbraw/zinc/96/96/21/1413969621.db2.gz LSNFYBKOIRFBLA-UHFFFAOYSA-N 1 3 336.451 2.957 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC001551238391 1413970177 /nfs/dbraw/zinc/97/01/77/1413970177.db2.gz PJYYBKGAJSYICN-UHFFFAOYSA-N 1 3 344.459 2.793 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC001551238740 1413971260 /nfs/dbraw/zinc/97/12/60/1413971260.db2.gz YQONDUOPASRJIG-UHFFFAOYSA-N 1 3 346.427 2.509 20 0 EFADHO Cc1nn2c(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c(C)nc2s1 ZINC001551262754 1413983291 /nfs/dbraw/zinc/98/32/91/1413983291.db2.gz RUZQZZYODCSMKG-RRFJBIMHSA-N 1 3 333.505 2.570 20 0 EFADHO CN(C)c1ncc(CN2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC001551401741 1414063396 /nfs/dbraw/zinc/06/33/96/1414063396.db2.gz KBFNANCTBSHVEU-UHFFFAOYSA-N 1 3 330.501 2.702 20 0 EFADHO [NH3+][C@@H]1CC12CCC(NC(=O)N1CCN(CC3CCCCC3)CC1)CC2 ZINC001551570694 1414127759 /nfs/dbraw/zinc/12/77/59/1414127759.db2.gz RMCJBLPKMQAFRX-QPIRBTGLSA-N 1 3 348.535 2.554 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552231183 1414382739 /nfs/dbraw/zinc/38/27/39/1414382739.db2.gz AVRXJFYFLPFDOV-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO C[N@H+]1CCC[C@H]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552231183 1414382745 /nfs/dbraw/zinc/38/27/45/1414382745.db2.gz AVRXJFYFLPFDOV-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC001552296076 1414409978 /nfs/dbraw/zinc/40/99/78/1414409978.db2.gz YDPVYMBQAFTGCC-RBUKOAKNSA-N 1 3 329.488 2.710 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001552296076 1414409979 /nfs/dbraw/zinc/40/99/79/1414409979.db2.gz YDPVYMBQAFTGCC-RBUKOAKNSA-N 1 3 329.488 2.710 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552354494 1414436425 /nfs/dbraw/zinc/43/64/25/1414436425.db2.gz LOABJVRGSSDFFH-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552354494 1414436430 /nfs/dbraw/zinc/43/64/30/1414436430.db2.gz LOABJVRGSSDFFH-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC001552377700 1414443785 /nfs/dbraw/zinc/44/37/85/1414443785.db2.gz DENQCRUBILLTMU-VXIBKDFQSA-N 1 3 334.508 2.833 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2CN2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC001552523868 1414477277 /nfs/dbraw/zinc/47/72/77/1414477277.db2.gz HWGURFCOSAAKHP-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC001552523868 1414477279 /nfs/dbraw/zinc/47/72/79/1414477279.db2.gz HWGURFCOSAAKHP-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[N@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC001552523868 1414477282 /nfs/dbraw/zinc/47/72/82/1414477282.db2.gz HWGURFCOSAAKHP-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001552523016 1414477945 /nfs/dbraw/zinc/47/79/45/1414477945.db2.gz DLLYUHOSAOKRPA-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552523016 1414477950 /nfs/dbraw/zinc/47/79/50/1414477950.db2.gz DLLYUHOSAOKRPA-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552523016 1414477953 /nfs/dbraw/zinc/47/79/53/1414477953.db2.gz DLLYUHOSAOKRPA-NLWGTHIKSA-N 1 3 346.519 2.696 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001552525905 1414479757 /nfs/dbraw/zinc/47/97/57/1414479757.db2.gz IJUDGGMYCWUUKS-SOAMZJECSA-N 1 3 346.519 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC001552525905 1414479760 /nfs/dbraw/zinc/47/97/60/1414479760.db2.gz IJUDGGMYCWUUKS-SOAMZJECSA-N 1 3 346.519 2.787 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001552526676 1414479843 /nfs/dbraw/zinc/47/98/43/1414479843.db2.gz PLDJKVAVLLGEJH-CEXWTWQISA-N 1 3 346.519 2.838 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552829306 1414577081 /nfs/dbraw/zinc/57/70/81/1414577081.db2.gz PBMOBUNOLMCLIJ-QGPMSJSTSA-N 1 3 333.501 2.533 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001552834433 1414578446 /nfs/dbraw/zinc/57/84/46/1414578446.db2.gz FFEOXMDOMSOAAZ-CEXWTWQISA-N 1 3 346.519 2.931 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@]12CCC[C@@H]1[NH2+]CC2)c1ccc(Cl)cc1 ZINC001552840484 1414580682 /nfs/dbraw/zinc/58/06/82/1414580682.db2.gz QUCKQJJZZHRWPL-BQFCYCMXSA-N 1 3 335.879 2.591 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@]34CC[NH2+][C@@H]3CCCC4)n2)cc1 ZINC001553250932 1414751796 /nfs/dbraw/zinc/75/17/96/1414751796.db2.gz MHWXXUPECOIBAC-VQIMIIECSA-N 1 3 326.444 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001567925923 1416326041 /nfs/dbraw/zinc/32/60/41/1416326041.db2.gz VYAOYCQPOQALHA-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001567925923 1416326045 /nfs/dbraw/zinc/32/60/45/1416326045.db2.gz VYAOYCQPOQALHA-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001645877290 1416578609 /nfs/dbraw/zinc/57/86/09/1416578609.db2.gz FNLOGQPTBBLTNV-QGZVFWFLSA-N 1 3 341.499 2.820 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001645892266 1416580929 /nfs/dbraw/zinc/58/09/29/1416580929.db2.gz BNAOXBPQYJHBJT-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC001646028506 1416602948 /nfs/dbraw/zinc/60/29/48/1416602948.db2.gz JVPXXSPCYCHTLA-SJORKVTESA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC001646028506 1416602951 /nfs/dbraw/zinc/60/29/51/1416602951.db2.gz JVPXXSPCYCHTLA-SJORKVTESA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CN1CCCCC1 ZINC000125577642 1417165841 /nfs/dbraw/zinc/16/58/41/1417165841.db2.gz HJMKRNGWEKTKFF-MRXNPFEDSA-N 1 3 333.476 2.596 20 0 EFADHO OCc1cccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000237986828 1418595029 /nfs/dbraw/zinc/59/50/29/1418595029.db2.gz SBUHBQJCOQTMGN-UHFFFAOYSA-N 1 3 340.467 2.943 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001716546993 1418910335 /nfs/dbraw/zinc/91/03/35/1418910335.db2.gz JKHCDLHHDYZXJE-SFHVURJKSA-N 1 3 337.483 2.658 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001716549682 1418911965 /nfs/dbraw/zinc/91/19/65/1418911965.db2.gz HGWLSGXLVYKRCF-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000166328637 1422502699 /nfs/dbraw/zinc/50/26/99/1422502699.db2.gz MYVDFRYNSKJVDI-QYZOEREBSA-N 1 3 329.488 2.766 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144681 712933993 /nfs/dbraw/zinc/93/39/93/712933993.db2.gz QTGOPKUOXMXDPP-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144681 712933995 /nfs/dbraw/zinc/93/39/95/712933995.db2.gz QTGOPKUOXMXDPP-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144683 712934296 /nfs/dbraw/zinc/93/42/96/712934296.db2.gz QTGOPKUOXMXDPP-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144683 712934298 /nfs/dbraw/zinc/93/42/98/712934298.db2.gz QTGOPKUOXMXDPP-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541665 713122094 /nfs/dbraw/zinc/12/20/94/713122094.db2.gz JDRPIGIGEGJYBD-WKILWMFISA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000969588661 713180543 /nfs/dbraw/zinc/18/05/43/713180543.db2.gz QAWHTABIHBOCCX-ZHALLVOQSA-N 1 3 329.488 2.649 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000969595216 713183368 /nfs/dbraw/zinc/18/33/68/713183368.db2.gz PINWOFAGZPMERI-KBAYOESNSA-N 1 3 347.890 2.612 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969652007 713204782 /nfs/dbraw/zinc/20/47/82/713204782.db2.gz CPCPGBXCFDCCQG-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)C1 ZINC000969679676 713214614 /nfs/dbraw/zinc/21/46/14/713214614.db2.gz OLUSIWKOLGMIDF-IAGOWNOFSA-N 1 3 335.517 2.561 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)C1 ZINC000969679676 713214617 /nfs/dbraw/zinc/21/46/17/713214617.db2.gz OLUSIWKOLGMIDF-IAGOWNOFSA-N 1 3 335.517 2.561 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969793474 713263993 /nfs/dbraw/zinc/26/39/93/713263993.db2.gz PMBXTXMGYDVHRF-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001020586018 713265480 /nfs/dbraw/zinc/26/54/80/713265480.db2.gz CHCFZUDOEGPPOS-FVQBIDKESA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001020586238 713265857 /nfs/dbraw/zinc/26/58/57/713265857.db2.gz IXEGUVFCKPMORK-BHIYHBOVSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001020587500 713266463 /nfs/dbraw/zinc/26/64/63/713266463.db2.gz IMPFTFOEXYVEGI-DJIMGWMZSA-N 1 3 349.906 2.604 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001020587418 713266496 /nfs/dbraw/zinc/26/64/96/713266496.db2.gz FMFYAOLNJHSMQD-NSISKUIASA-N 1 3 343.515 2.513 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001020588530 713266994 /nfs/dbraw/zinc/26/69/94/713266994.db2.gz DXNTUBVDGPSAHB-JVPBZIDWSA-N 1 3 343.515 2.690 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001020588760 713266998 /nfs/dbraw/zinc/26/69/98/713266998.db2.gz LJIBOGPLOBLULL-VDGAXYAQSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001020586563 713267365 /nfs/dbraw/zinc/26/73/65/713267365.db2.gz RFJDVAQDQALMCT-DACLVMHWSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001020586551 713267421 /nfs/dbraw/zinc/26/74/21/713267421.db2.gz QMXBKSRSAFTYAK-BPUTZDHNSA-N 1 3 335.879 2.561 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001020586451 713267462 /nfs/dbraw/zinc/26/74/62/713267462.db2.gz ONWSWXDKGQARMJ-WNHJNPCNSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001020586658 713267598 /nfs/dbraw/zinc/26/75/98/713267598.db2.gz VCEFJCHWCXATCR-KBRIMQKVSA-N 1 3 335.879 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001020586654 713267653 /nfs/dbraw/zinc/26/76/53/713267653.db2.gz UYIQDOHOZRGDFO-AVGNSLFASA-N 1 3 341.908 2.623 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586758 713267704 /nfs/dbraw/zinc/26/77/04/713267704.db2.gz YJUWPRYGKBBSFT-WBAXXEDZSA-N 1 3 349.906 2.870 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001020590416 713268091 /nfs/dbraw/zinc/26/80/91/713268091.db2.gz VNQLQLMAVLOLCH-UTRMSSBJSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001020590028 713268832 /nfs/dbraw/zinc/26/88/32/713268832.db2.gz KNTHHVRICNWRGK-MBOZVWFJSA-N 1 3 347.478 2.636 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001020590132 713268995 /nfs/dbraw/zinc/26/89/95/713268995.db2.gz NAEGCABSYULWRR-LTCOOKNTSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001020591172 713269787 /nfs/dbraw/zinc/26/97/87/713269787.db2.gz GKRVOJMTOBWZHM-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591397 713269837 /nfs/dbraw/zinc/26/98/37/713269837.db2.gz MQZAEKCIYMIQRX-SZMVWBNQSA-N 1 3 329.488 2.716 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001020591745 713270039 /nfs/dbraw/zinc/27/00/39/713270039.db2.gz UQRZNWCDVKYFIW-IYARVYRRSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC000969815625 713271399 /nfs/dbraw/zinc/27/13/99/713271399.db2.gz ZKNHFBGORRJSSH-QGZVFWFLSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001020593125 713271462 /nfs/dbraw/zinc/27/14/62/713271462.db2.gz XQCNGGGVMKFBMC-MWQQHZPXSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001020593125 713271464 /nfs/dbraw/zinc/27/14/64/713271464.db2.gz XQCNGGGVMKFBMC-MWQQHZPXSA-N 1 3 349.906 2.583 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC000969844052 713279930 /nfs/dbraw/zinc/27/99/30/713279930.db2.gz CPMXAZYVIRZTCW-MISYRCLQSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC000969844343 713281068 /nfs/dbraw/zinc/28/10/68/713281068.db2.gz ISYRGFDFSOHZFR-BHIYHBOVSA-N 1 3 347.478 2.590 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000969950770 713320757 /nfs/dbraw/zinc/32/07/57/713320757.db2.gz JPTDSGJZXQSOQK-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969954420 713321521 /nfs/dbraw/zinc/32/15/21/713321521.db2.gz CSPRXUMIDXQITO-RDTXWAMCSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969965693 713325036 /nfs/dbraw/zinc/32/50/36/713325036.db2.gz UPBVXGKZLDCDTD-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000969962378 713325730 /nfs/dbraw/zinc/32/57/30/713325730.db2.gz MBKUZAUGOAKMBJ-XLIONFOSSA-N 1 3 347.478 2.590 20 0 EFADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC000969965819 713327774 /nfs/dbraw/zinc/32/77/74/713327774.db2.gz YWFUKFSMSBSTEK-DAWZGUTISA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000969985868 713334665 /nfs/dbraw/zinc/33/46/65/713334665.db2.gz NEAOFQFTJDXSGW-MOPGFXCFSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020675919 713345632 /nfs/dbraw/zinc/34/56/32/713345632.db2.gz KPSSHWFVOMYEHU-BRWVUGGUSA-N 1 3 335.517 2.748 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C(C)C)C2)cc1 ZINC001020676157 713345991 /nfs/dbraw/zinc/34/59/91/713345991.db2.gz USVRJIQKLDSPOZ-VAMGGRTRSA-N 1 3 343.515 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020676060 713346001 /nfs/dbraw/zinc/34/60/01/713346001.db2.gz PZPXFROXXPMMDZ-FHWLQOOXSA-N 1 3 333.520 2.987 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(CC2=CCCCC2)C1 ZINC000970052840 713362296 /nfs/dbraw/zinc/36/22/96/713362296.db2.gz ZFSPCBACUYMUQB-INIZCTEOSA-N 1 3 331.504 2.552 20 0 EFADHO C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CN(Cc2ccsc2)C1 ZINC000970060227 713365529 /nfs/dbraw/zinc/36/55/29/713365529.db2.gz OQLJXCKVGHISNG-ZDUSSCGKSA-N 1 3 340.452 2.646 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719815 713371758 /nfs/dbraw/zinc/37/17/58/713371758.db2.gz RNTGEWCGWHJTND-DWRORGKVSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719815 713371761 /nfs/dbraw/zinc/37/17/61/713371761.db2.gz RNTGEWCGWHJTND-DWRORGKVSA-N 1 3 345.462 2.579 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001027893951 717898728 /nfs/dbraw/zinc/89/87/28/717898728.db2.gz GZNYJNCIBGFOQN-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001027893951 717898737 /nfs/dbraw/zinc/89/87/37/717898737.db2.gz GZNYJNCIBGFOQN-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020928642 713442336 /nfs/dbraw/zinc/44/23/36/713442336.db2.gz ILFOSQWXRATHDP-JYJNAYRXSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001020928642 713442337 /nfs/dbraw/zinc/44/23/37/713442337.db2.gz ILFOSQWXRATHDP-JYJNAYRXSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020928641 713442382 /nfs/dbraw/zinc/44/23/82/713442382.db2.gz ILFOSQWXRATHDP-BZUAXINKSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020928641 713442384 /nfs/dbraw/zinc/44/23/84/713442384.db2.gz ILFOSQWXRATHDP-BZUAXINKSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001020980274 713466182 /nfs/dbraw/zinc/46/61/82/713466182.db2.gz CKRYXVZPBQTMSB-QAQDUYKDSA-N 1 3 340.471 2.623 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001020981265 713466436 /nfs/dbraw/zinc/46/64/36/713466436.db2.gz CZFNKCKABCTOMP-JQFCIGGWSA-N 1 3 326.444 2.567 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001021044024 713530859 /nfs/dbraw/zinc/53/08/59/713530859.db2.gz ICYMLCZISCZJIT-KBUPBQIOSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001021044024 713530863 /nfs/dbraw/zinc/53/08/63/713530863.db2.gz ICYMLCZISCZJIT-KBUPBQIOSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001021044023 713530896 /nfs/dbraw/zinc/53/08/96/713530896.db2.gz ICYMLCZISCZJIT-AJNGGQMLSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001021044023 713530897 /nfs/dbraw/zinc/53/08/97/713530897.db2.gz ICYMLCZISCZJIT-AJNGGQMLSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001021090092 713562189 /nfs/dbraw/zinc/56/21/89/713562189.db2.gz FBPQLMPMYVRWOV-CAMMJAKZSA-N 1 3 333.520 2.987 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c(C)c1 ZINC001021090054 713562247 /nfs/dbraw/zinc/56/22/47/713562247.db2.gz FABZHKGYBGNADG-HNBVOPMISA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001021090210 713562621 /nfs/dbraw/zinc/56/26/21/713562621.db2.gz FSXVAAPPMCXEDI-YOQCTACHSA-N 1 3 329.488 2.605 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001021094001 713563955 /nfs/dbraw/zinc/56/39/55/713563955.db2.gz JMJXCVYYFNDZOO-UDTPNQRGSA-N 1 3 347.478 2.998 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)cc1 ZINC001021094367 713564528 /nfs/dbraw/zinc/56/45/28/713564528.db2.gz OTLNZBANQQXWLA-VAMGGRTRSA-N 1 3 343.515 2.860 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970211732 713565273 /nfs/dbraw/zinc/56/52/73/713565273.db2.gz AGUWOIDFURSUEL-QGZVFWFLSA-N 1 3 343.515 2.807 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001021095870 713574202 /nfs/dbraw/zinc/57/42/02/713574202.db2.gz BBSXBDFQLOQWDH-LNLFQRSKSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001021096192 713574978 /nfs/dbraw/zinc/57/49/78/713574978.db2.gz IHQVGBRSMJZSLA-BJLQDIEVSA-N 1 3 343.515 2.915 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001021096215 713574985 /nfs/dbraw/zinc/57/49/85/713574985.db2.gz JMXVALOWSYCAMX-UFYCRDLUSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001021096421 713575006 /nfs/dbraw/zinc/57/50/06/713575006.db2.gz RXXVOQPOIDTHGD-VAMGGRTRSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001021096751 713575172 /nfs/dbraw/zinc/57/51/72/713575172.db2.gz XCXHVSSZHHGOAI-FHWLQOOXSA-N 1 3 347.478 2.767 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001021096335 713575187 /nfs/dbraw/zinc/57/51/87/713575187.db2.gz OKLXPVHSLNHFAM-FHWLQOOXSA-N 1 3 333.520 2.988 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CC1 ZINC000970334348 713643938 /nfs/dbraw/zinc/64/39/38/713643938.db2.gz HPNSXBUCUNFAHP-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970334445 713643974 /nfs/dbraw/zinc/64/39/74/713643974.db2.gz JYEIGTHVUGPBLH-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970366616 713666316 /nfs/dbraw/zinc/66/63/16/713666316.db2.gz LGTNVANVQCSYQD-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428583 713707334 /nfs/dbraw/zinc/70/73/34/713707334.db2.gz PZCWFAKPTYLXLW-KRWDZBQOSA-N 1 3 343.515 2.807 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCC1 ZINC001021343509 713816336 /nfs/dbraw/zinc/81/63/36/713816336.db2.gz NMGCNOOPFGHFOO-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCC1 ZINC001021343509 713816338 /nfs/dbraw/zinc/81/63/38/713816338.db2.gz NMGCNOOPFGHFOO-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2=CCCCC2)C1 ZINC001021380735 713852865 /nfs/dbraw/zinc/85/28/65/713852865.db2.gz SCWXNLSLPFFCKY-VOBGVNJCSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CCCCC2)C1 ZINC001021380735 713852867 /nfs/dbraw/zinc/85/28/67/713852867.db2.gz SCWXNLSLPFFCKY-VOBGVNJCSA-N 1 3 345.531 2.940 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000970717145 713931524 /nfs/dbraw/zinc/93/15/24/713931524.db2.gz JEJDQGWMADPRBR-AEFFLSMTSA-N 1 3 347.890 2.614 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970717605 713931937 /nfs/dbraw/zinc/93/19/37/713931937.db2.gz DMFLNHKYUAGFBR-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000970789071 713995405 /nfs/dbraw/zinc/99/54/05/713995405.db2.gz UMFJWHRGXBCKLR-GOSISDBHSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000970795192 714000434 /nfs/dbraw/zinc/00/04/34/714000434.db2.gz ALFFFWIINXGQRC-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000970795849 714001809 /nfs/dbraw/zinc/00/18/09/714001809.db2.gz HFTZHHCWIKHORI-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)C2)cc1 ZINC000970799748 714004419 /nfs/dbraw/zinc/00/44/19/714004419.db2.gz HMQANXGXPPGSKV-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC000980230193 717949739 /nfs/dbraw/zinc/94/97/39/717949739.db2.gz KNEBGWHBOQTULU-KZNAEPCWSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCCC3)C[C@H]2C1 ZINC000980230193 717949742 /nfs/dbraw/zinc/94/97/42/717949742.db2.gz KNEBGWHBOQTULU-KZNAEPCWSA-N 1 3 344.503 2.668 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC000970926763 714140122 /nfs/dbraw/zinc/14/01/22/714140122.db2.gz BTEDAQMAXGECBO-AQFXKWCLSA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970926749 714142531 /nfs/dbraw/zinc/14/25/31/714142531.db2.gz BQVJHUPNIVKEPZ-LPHOPBHVSA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000970927455 714144941 /nfs/dbraw/zinc/14/49/41/714144941.db2.gz FEBRDHFGYXHJOL-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000970927451 714144944 /nfs/dbraw/zinc/14/49/44/714144944.db2.gz FEBRDHFGYXHJOL-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000970927450 714144951 /nfs/dbraw/zinc/14/49/51/714144951.db2.gz FEBRDHFGYXHJOL-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980246206 717957760 /nfs/dbraw/zinc/95/77/60/717957760.db2.gz PWTFFAYRUXAPPS-UFYCRDLUSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980246206 717957763 /nfs/dbraw/zinc/95/77/63/717957763.db2.gz PWTFFAYRUXAPPS-UFYCRDLUSA-N 1 3 343.515 2.987 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@H+](CCC4CC4)CC[C@@H]32)C1 ZINC001021664231 714260283 /nfs/dbraw/zinc/26/02/83/714260283.db2.gz AGCGMLNQZWJJII-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CCC4CC4)CC[C@@H]32)C1 ZINC001021664231 714260285 /nfs/dbraw/zinc/26/02/85/714260285.db2.gz AGCGMLNQZWJJII-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667766 714266436 /nfs/dbraw/zinc/26/64/36/714266436.db2.gz HQAZAMRHRGSYCX-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667766 714266437 /nfs/dbraw/zinc/26/64/37/714266437.db2.gz HQAZAMRHRGSYCX-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667769 714266771 /nfs/dbraw/zinc/26/67/71/714266771.db2.gz HQAZAMRHRGSYCX-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667769 714266772 /nfs/dbraw/zinc/26/67/72/714266772.db2.gz HQAZAMRHRGSYCX-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001021679387 714290339 /nfs/dbraw/zinc/29/03/39/714290339.db2.gz NTUWMHVZIYJHRF-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001021679387 714290342 /nfs/dbraw/zinc/29/03/42/714290342.db2.gz NTUWMHVZIYJHRF-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680130 714292045 /nfs/dbraw/zinc/29/20/45/714292045.db2.gz VYEGMBKZDIWIPD-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680130 714292048 /nfs/dbraw/zinc/29/20/48/714292048.db2.gz VYEGMBKZDIWIPD-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000971202358 714462634 /nfs/dbraw/zinc/46/26/34/714462634.db2.gz VATPHOZESBOPID-QUCCMNQESA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000971202358 714462635 /nfs/dbraw/zinc/46/26/35/714462635.db2.gz VATPHOZESBOPID-QUCCMNQESA-N 1 3 343.515 2.739 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203048 714463144 /nfs/dbraw/zinc/46/31/44/714463144.db2.gz BQGPPSQYKIZQDB-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203048 714463145 /nfs/dbraw/zinc/46/31/45/714463145.db2.gz BQGPPSQYKIZQDB-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206015 714463660 /nfs/dbraw/zinc/46/36/60/714463660.db2.gz YRILLIXFBIWCEL-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206015 714463662 /nfs/dbraw/zinc/46/36/62/714463662.db2.gz YRILLIXFBIWCEL-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO Brc1cnn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261830098 714464372 /nfs/dbraw/zinc/46/43/72/714464372.db2.gz UPWIITPWWYKHMJ-RBSFLKMASA-N 1 3 341.297 2.546 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980249848 717978875 /nfs/dbraw/zinc/97/88/75/717978875.db2.gz CESOGLKZASBPOI-UHOSZYNNSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980249848 717978880 /nfs/dbraw/zinc/97/88/80/717978880.db2.gz CESOGLKZASBPOI-UHOSZYNNSA-N 1 3 343.515 2.987 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc(OCC#N)cc2)cc1 ZINC000069711274 714562749 /nfs/dbraw/zinc/56/27/49/714562749.db2.gz HVNOPRWDYWFUIF-UHFFFAOYSA-N 1 3 339.439 2.819 20 0 EFADHO CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C)C1 ZINC000891393455 714602552 /nfs/dbraw/zinc/60/25/52/714602552.db2.gz GNUIKKHDMQGVDH-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000971526211 714690018 /nfs/dbraw/zinc/69/00/18/714690018.db2.gz VBKNVZBFQHTAFN-MSOLQXFVSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000971526211 714690019 /nfs/dbraw/zinc/69/00/19/714690019.db2.gz VBKNVZBFQHTAFN-MSOLQXFVSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000971526214 714690246 /nfs/dbraw/zinc/69/02/46/714690246.db2.gz VBKNVZBFQHTAFN-ZWKOTPCHSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000971526214 714690248 /nfs/dbraw/zinc/69/02/48/714690248.db2.gz VBKNVZBFQHTAFN-ZWKOTPCHSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971564512 714709922 /nfs/dbraw/zinc/70/99/22/714709922.db2.gz XLPIPQSMKBPFQE-AYOQOUSVSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971564512 714709923 /nfs/dbraw/zinc/70/99/23/714709923.db2.gz XLPIPQSMKBPFQE-AYOQOUSVSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022104056 714751923 /nfs/dbraw/zinc/75/19/23/714751923.db2.gz RTODWWYBNDNWRN-LVQVYYBASA-N 1 3 349.906 2.725 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001022104056 714751925 /nfs/dbraw/zinc/75/19/25/714751925.db2.gz RTODWWYBNDNWRN-LVQVYYBASA-N 1 3 349.906 2.725 20 0 EFADHO CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000891459785 714765907 /nfs/dbraw/zinc/76/59/07/714765907.db2.gz KZFGAXHGTRYJLP-RBUKOAKNSA-N 1 3 344.503 2.525 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000891475037 714775269 /nfs/dbraw/zinc/77/52/69/714775269.db2.gz BVICTZCVXWMEDN-LJQANCHMSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000891475036 714775406 /nfs/dbraw/zinc/77/54/06/714775406.db2.gz BVICTZCVXWMEDN-IBGZPJMESA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639792 714795373 /nfs/dbraw/zinc/79/53/73/714795373.db2.gz BPEVKFJMMKFRBS-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639792 714795376 /nfs/dbraw/zinc/79/53/76/714795376.db2.gz BPEVKFJMMKFRBS-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640544 714797137 /nfs/dbraw/zinc/79/71/37/714797137.db2.gz GAGBYZUTDLNXEB-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640544 714797143 /nfs/dbraw/zinc/79/71/43/714797143.db2.gz GAGBYZUTDLNXEB-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022163850 714843975 /nfs/dbraw/zinc/84/39/75/714843975.db2.gz ASCWKSGCSYFHJB-SOLBZPMBSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022163850 714843976 /nfs/dbraw/zinc/84/39/76/714843976.db2.gz ASCWKSGCSYFHJB-SOLBZPMBSA-N 1 3 349.906 2.951 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674724 714870671 /nfs/dbraw/zinc/87/06/71/714870671.db2.gz VTIZURALHHDXEW-MAUKXSAKSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674724 714870673 /nfs/dbraw/zinc/87/06/73/714870673.db2.gz VTIZURALHHDXEW-MAUKXSAKSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000971673581 714872638 /nfs/dbraw/zinc/87/26/38/714872638.db2.gz HXPDDXPXBWXIMH-QGZVFWFLSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000971673581 714872639 /nfs/dbraw/zinc/87/26/39/714872639.db2.gz HXPDDXPXBWXIMH-QGZVFWFLSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCC3CCCCC3)C2)CCC1 ZINC000971676820 714874308 /nfs/dbraw/zinc/87/43/08/714874308.db2.gz HAUHTDKZPVJOHA-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCC3CCCCC3)C2)CCC1 ZINC000971676820 714874310 /nfs/dbraw/zinc/87/43/10/714874310.db2.gz HAUHTDKZPVJOHA-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000971679041 714876737 /nfs/dbraw/zinc/87/67/37/714876737.db2.gz QESUUAIKCVFVEJ-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000971679041 714876738 /nfs/dbraw/zinc/87/67/38/714876738.db2.gz QESUUAIKCVFVEJ-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000971679554 714877798 /nfs/dbraw/zinc/87/77/98/714877798.db2.gz UWJYSXCAEKMXJN-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000971679554 714877801 /nfs/dbraw/zinc/87/78/01/714877801.db2.gz UWJYSXCAEKMXJN-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681443 714878058 /nfs/dbraw/zinc/87/80/58/714878058.db2.gz CTKNLHJOYMWBBT-ROUUACIJSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681443 714878060 /nfs/dbraw/zinc/87/80/60/714878060.db2.gz CTKNLHJOYMWBBT-ROUUACIJSA-N 1 3 349.906 2.713 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681058 714879685 /nfs/dbraw/zinc/87/96/85/714879685.db2.gz BEAFYHREIZRRKN-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681058 714879688 /nfs/dbraw/zinc/87/96/88/714879688.db2.gz BEAFYHREIZRRKN-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000971688576 714883476 /nfs/dbraw/zinc/88/34/76/714883476.db2.gz YGYVGRLXLCFKFI-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000971688576 714883479 /nfs/dbraw/zinc/88/34/79/714883479.db2.gz YGYVGRLXLCFKFI-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000971685979 714885350 /nfs/dbraw/zinc/88/53/50/714885350.db2.gz PXLAGWWAYREFJV-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000971685979 714885353 /nfs/dbraw/zinc/88/53/53/714885353.db2.gz PXLAGWWAYREFJV-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686805 714886518 /nfs/dbraw/zinc/88/65/18/714886518.db2.gz FUWSBZJSBPQEAX-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686805 714886520 /nfs/dbraw/zinc/88/65/20/714886520.db2.gz FUWSBZJSBPQEAX-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686558 714886539 /nfs/dbraw/zinc/88/65/39/714886539.db2.gz SLBDRSNZBWKINV-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686558 714886541 /nfs/dbraw/zinc/88/65/41/714886541.db2.gz SLBDRSNZBWKINV-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC000971687432 714886790 /nfs/dbraw/zinc/88/67/90/714886790.db2.gz LBJISSDNBRBDAY-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC000971687432 714886793 /nfs/dbraw/zinc/88/67/93/714886793.db2.gz LBJISSDNBRBDAY-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC000971687431 714886941 /nfs/dbraw/zinc/88/69/41/714886941.db2.gz LBJISSDNBRBDAY-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC000971687431 714886943 /nfs/dbraw/zinc/88/69/43/714886943.db2.gz LBJISSDNBRBDAY-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971714802 714904514 /nfs/dbraw/zinc/90/45/14/714904514.db2.gz XSMFSUURGJBQIT-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971714802 714904517 /nfs/dbraw/zinc/90/45/17/714904517.db2.gz XSMFSUURGJBQIT-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971734846 714921148 /nfs/dbraw/zinc/92/11/48/714921148.db2.gz HHWJLZSNGMBAAK-MOPGFXCFSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971737449 714922705 /nfs/dbraw/zinc/92/27/05/714922705.db2.gz WMZWPHKLFNTNCT-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971737449 714922706 /nfs/dbraw/zinc/92/27/06/714922706.db2.gz WMZWPHKLFNTNCT-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000971777529 714956137 /nfs/dbraw/zinc/95/61/37/714956137.db2.gz DVJHGHVSFPGDAN-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000971777529 714956139 /nfs/dbraw/zinc/95/61/39/714956139.db2.gz DVJHGHVSFPGDAN-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000971777559 714956383 /nfs/dbraw/zinc/95/63/83/714956383.db2.gz FSSFYPADFLRYOQ-ZWKOTPCHSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000971777559 714956385 /nfs/dbraw/zinc/95/63/85/714956385.db2.gz FSSFYPADFLRYOQ-ZWKOTPCHSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000971778018 714956534 /nfs/dbraw/zinc/95/65/34/714956534.db2.gz KBIGSTMLHLTZHQ-IAGOWNOFSA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000971778018 714956535 /nfs/dbraw/zinc/95/65/35/714956535.db2.gz KBIGSTMLHLTZHQ-IAGOWNOFSA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000971778017 714956664 /nfs/dbraw/zinc/95/66/64/714956664.db2.gz KBIGSTMLHLTZHQ-DLBZAZTESA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000971778017 714956666 /nfs/dbraw/zinc/95/66/66/714956666.db2.gz KBIGSTMLHLTZHQ-DLBZAZTESA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000971785085 714958628 /nfs/dbraw/zinc/95/86/28/714958628.db2.gz QRNMPQLUFPOTSV-DLBZAZTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000971785085 714958629 /nfs/dbraw/zinc/95/86/29/714958629.db2.gz QRNMPQLUFPOTSV-DLBZAZTESA-N 1 3 337.895 2.713 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000971795116 714973349 /nfs/dbraw/zinc/97/33/49/714973349.db2.gz PAJYKZWQCVLHGF-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000971795116 714973354 /nfs/dbraw/zinc/97/33/54/714973354.db2.gz PAJYKZWQCVLHGF-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000971795117 714973470 /nfs/dbraw/zinc/97/34/70/714973470.db2.gz PAJYKZWQCVLHGF-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000971795117 714973471 /nfs/dbraw/zinc/97/34/71/714973471.db2.gz PAJYKZWQCVLHGF-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022351135 715033558 /nfs/dbraw/zinc/03/35/58/715033558.db2.gz UTTPDZAJBWKUHL-ZIFCJYIRSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022351135 715033561 /nfs/dbraw/zinc/03/35/61/715033561.db2.gz UTTPDZAJBWKUHL-ZIFCJYIRSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000891815893 715036048 /nfs/dbraw/zinc/03/60/48/715036048.db2.gz WXDWVTNCMZFZLL-LJQANCHMSA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000891815893 715036050 /nfs/dbraw/zinc/03/60/50/715036050.db2.gz WXDWVTNCMZFZLL-LJQANCHMSA-N 1 3 346.519 2.762 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H](c1ccccc1)N(C)C ZINC000891894901 715098230 /nfs/dbraw/zinc/09/82/30/715098230.db2.gz VRWNFOIVAHFDIT-RYQLBKOJSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cs1 ZINC000971860557 715113190 /nfs/dbraw/zinc/11/31/90/715113190.db2.gz BEGMQRJQFGRDHA-QGZVFWFLSA-N 1 3 347.528 2.718 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CN(C)CC1CC[NH+](C)CC1 ZINC000891933293 715162524 /nfs/dbraw/zinc/16/25/24/715162524.db2.gz FJAUXFANCZDQAO-UHFFFAOYSA-N 1 3 344.425 2.940 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001022600795 715247759 /nfs/dbraw/zinc/24/77/59/715247759.db2.gz XRCORVCNEWGEJR-UOVPBQLFSA-N 1 3 347.478 2.601 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001022600795 715247761 /nfs/dbraw/zinc/24/77/61/715247761.db2.gz XRCORVCNEWGEJR-UOVPBQLFSA-N 1 3 347.478 2.601 20 0 EFADHO CCn1cc(CN2CCC(CCC[N@H+](C)CCOC)CC2)c(C)n1 ZINC000892144378 715271996 /nfs/dbraw/zinc/27/19/96/715271996.db2.gz NOTLNERAVXKQLT-UHFFFAOYSA-N 1 3 336.524 2.782 20 0 EFADHO CCn1cc(CN2CCC(CCC[N@@H+](C)CCOC)CC2)c(C)n1 ZINC000892144378 715271997 /nfs/dbraw/zinc/27/19/97/715271997.db2.gz NOTLNERAVXKQLT-UHFFFAOYSA-N 1 3 336.524 2.782 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC000972069823 715290191 /nfs/dbraw/zinc/29/01/91/715290191.db2.gz KQKUDCQMOKRSKK-QGZVFWFLSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042322 715336639 /nfs/dbraw/zinc/33/66/39/715336639.db2.gz BAUQPIUVBWQZQZ-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042651 715336748 /nfs/dbraw/zinc/33/67/48/715336748.db2.gz KMYVLVYUPOHRTF-VQIMIIECSA-N 1 3 349.494 2.658 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001027044777 715341693 /nfs/dbraw/zinc/34/16/93/715341693.db2.gz FIFYSPLCLPNGAA-FUHWJXTLSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001027045215 715342580 /nfs/dbraw/zinc/34/25/80/715342580.db2.gz OIXOESCFNWEZQW-RBUKOAKNSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCC(F)(F)F ZINC000947493179 715357564 /nfs/dbraw/zinc/35/75/64/715357564.db2.gz QGMONJCOBNKFQG-UONOGXRCSA-N 1 3 347.425 2.536 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000895904381 724386147 /nfs/dbraw/zinc/38/61/47/724386147.db2.gz ULBAOTYPIGUMRG-QAPCUYQASA-N 1 3 335.492 2.581 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022710962 715405813 /nfs/dbraw/zinc/40/58/13/715405813.db2.gz QAVLEWQUZNKSGY-KURKYZTESA-N 1 3 329.488 2.525 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001022712284 715408061 /nfs/dbraw/zinc/40/80/61/715408061.db2.gz ONWSWXDKGQARMJ-KANFNMMFSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001022712215 715408473 /nfs/dbraw/zinc/40/84/73/715408473.db2.gz MQOJYFWKFYROAL-XTDOFWJNSA-N 1 3 345.462 2.534 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC001022711622 715408762 /nfs/dbraw/zinc/40/87/62/715408762.db2.gz CEXIKQGQVVEYSQ-QXSJWSMHSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001022711824 715409606 /nfs/dbraw/zinc/40/96/06/715409606.db2.gz DPWRUFMMLJGMJJ-XUWVNRHRSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001022712638 715412201 /nfs/dbraw/zinc/41/22/01/715412201.db2.gz WADYIUQKPVELDP-FZDIXFNVSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001022712773 715413294 /nfs/dbraw/zinc/41/32/94/715413294.db2.gz ZKMAUWCYJYYZDG-JCGIZDLHSA-N 1 3 349.906 2.604 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001027063065 715415427 /nfs/dbraw/zinc/41/54/27/715415427.db2.gz GVJHJIVKLJBULO-HZPDHXFCSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063982 715417716 /nfs/dbraw/zinc/41/77/16/715417716.db2.gz WRWQTASQTAFLKH-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027064519 715417891 /nfs/dbraw/zinc/41/78/91/715417891.db2.gz GKWDKFSYGBFPEU-FXAWDEMLSA-N 1 3 343.515 2.529 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027064989 715418855 /nfs/dbraw/zinc/41/88/55/715418855.db2.gz OFXMRENCCXDWOM-QFBILLFUSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC001027066656 715422767 /nfs/dbraw/zinc/42/27/67/715422767.db2.gz WKPGXQWIHPDQTR-MRXNPFEDSA-N 1 3 349.544 2.727 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027066488 715422828 /nfs/dbraw/zinc/42/28/28/715422828.db2.gz RWEOAHFIKIFARK-SFHVURJKSA-N 1 3 333.520 2.657 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001022714948 715424335 /nfs/dbraw/zinc/42/43/35/715424335.db2.gz ASJACVAIYLJVHO-AHRSYUTCSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1F ZINC001022716616 715433035 /nfs/dbraw/zinc/43/30/35/715433035.db2.gz BMNYTRPGJZKBRR-CALCHBBNSA-N 1 3 347.478 2.603 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001022717085 715435183 /nfs/dbraw/zinc/43/51/83/715435183.db2.gz PAPHOJWTGZCSHD-KDURUIRLSA-N 1 3 343.515 2.718 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001022717203 715435475 /nfs/dbraw/zinc/43/54/75/715435475.db2.gz STFJZZNHXPFCQQ-CALCHBBNSA-N 1 3 349.906 2.809 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccsc3)CC2(C)C)C1 ZINC000975039888 715444915 /nfs/dbraw/zinc/44/49/15/715444915.db2.gz OEUOXHRJFRAXDZ-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)CC2(C)C)C1 ZINC000975039888 715444916 /nfs/dbraw/zinc/44/49/16/715444916.db2.gz OEUOXHRJFRAXDZ-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N[C@@H]2CN(Cc3ccsc3)CC2(C)C)C1 ZINC000975039888 715444918 /nfs/dbraw/zinc/44/49/18/715444918.db2.gz OEUOXHRJFRAXDZ-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CN(Cc3ccsc3)CC2(C)C)C1 ZINC000975039888 715444919 /nfs/dbraw/zinc/44/49/19/715444919.db2.gz OEUOXHRJFRAXDZ-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001027334967 715467451 /nfs/dbraw/zinc/46/74/51/715467451.db2.gz ZFSVPAQRWFFRCL-IRXDYDNUSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001027334967 715467453 /nfs/dbraw/zinc/46/74/53/715467453.db2.gz ZFSVPAQRWFFRCL-IRXDYDNUSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331833 715468626 /nfs/dbraw/zinc/46/86/26/715468626.db2.gz JPSFPTUQHPIQTO-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331833 715468629 /nfs/dbraw/zinc/46/86/29/715468629.db2.gz JPSFPTUQHPIQTO-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331835 715468745 /nfs/dbraw/zinc/46/87/45/715468745.db2.gz JPSFPTUQHPIQTO-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331835 715468751 /nfs/dbraw/zinc/46/87/51/715468751.db2.gz JPSFPTUQHPIQTO-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001027333723 715472602 /nfs/dbraw/zinc/47/26/02/715472602.db2.gz BKAHXDDMLONYFQ-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001027333723 715472603 /nfs/dbraw/zinc/47/26/03/715472603.db2.gz BKAHXDDMLONYFQ-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001027069850 715493318 /nfs/dbraw/zinc/49/33/18/715493318.db2.gz CRUGWDPEUDHXJX-WBVHZDCISA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001027069890 715493396 /nfs/dbraw/zinc/49/33/96/715493396.db2.gz DKLPECPRDJHESZ-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001027069896 715493452 /nfs/dbraw/zinc/49/34/52/715493452.db2.gz DMKWMFKOQOIVOE-WBVHZDCISA-N 1 3 337.533 2.643 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091324 715544731 /nfs/dbraw/zinc/54/47/31/715544731.db2.gz JVIFFJRLGARXRX-DLBZAZTESA-N 1 3 340.471 2.768 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972262329 715606798 /nfs/dbraw/zinc/60/67/98/715606798.db2.gz BFOMBGOLISVISR-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972262329 715606800 /nfs/dbraw/zinc/60/68/00/715606800.db2.gz BFOMBGOLISVISR-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264396 715610050 /nfs/dbraw/zinc/61/00/50/715610050.db2.gz GOMGVMDRKJVAIH-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264396 715610055 /nfs/dbraw/zinc/61/00/55/715610055.db2.gz GOMGVMDRKJVAIH-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972268525 715616280 /nfs/dbraw/zinc/61/62/80/715616280.db2.gz YLHKDNBSVWSKKM-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972268525 715616286 /nfs/dbraw/zinc/61/62/86/715616286.db2.gz YLHKDNBSVWSKKM-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001027139101 715682159 /nfs/dbraw/zinc/68/21/59/715682159.db2.gz AHDYTCZHHOXKAF-QGZVFWFLSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027139531 715683675 /nfs/dbraw/zinc/68/36/75/715683675.db2.gz KNMHTQDVAUVEFY-LJQANCHMSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000972330706 715701103 /nfs/dbraw/zinc/70/11/03/715701103.db2.gz GNGCJOPDUWMHTQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000972330706 715701109 /nfs/dbraw/zinc/70/11/09/715701109.db2.gz GNGCJOPDUWMHTQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331492 715703847 /nfs/dbraw/zinc/70/38/47/715703847.db2.gz LLVXDCUBXSWXBO-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331492 715703849 /nfs/dbraw/zinc/70/38/49/715703849.db2.gz LLVXDCUBXSWXBO-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331494 715703998 /nfs/dbraw/zinc/70/39/98/715703998.db2.gz LLVXDCUBXSWXBO-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331494 715704002 /nfs/dbraw/zinc/70/40/02/715704002.db2.gz LLVXDCUBXSWXBO-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331456 715704026 /nfs/dbraw/zinc/70/40/26/715704026.db2.gz KZDMIVVRTAIJQH-QFBILLFUSA-N 1 3 347.478 2.673 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331456 715704028 /nfs/dbraw/zinc/70/40/28/715704028.db2.gz KZDMIVVRTAIJQH-QFBILLFUSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972332938 715704733 /nfs/dbraw/zinc/70/47/33/715704733.db2.gz RZZRJFYXCLNYMM-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972332938 715704737 /nfs/dbraw/zinc/70/47/37/715704737.db2.gz RZZRJFYXCLNYMM-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027139628 715704853 /nfs/dbraw/zinc/70/48/53/715704853.db2.gz OASMSRHGZDOPSI-IBGZPJMESA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334815 715708684 /nfs/dbraw/zinc/70/86/84/715708684.db2.gz KYNMKSSYTJDPJE-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334815 715708688 /nfs/dbraw/zinc/70/86/88/715708688.db2.gz KYNMKSSYTJDPJE-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972334604 715708933 /nfs/dbraw/zinc/70/89/33/715708933.db2.gz INGODBWYFOGUMB-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972334604 715708938 /nfs/dbraw/zinc/70/89/38/715708938.db2.gz INGODBWYFOGUMB-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cs1 ZINC000972333232 715709913 /nfs/dbraw/zinc/70/99/13/715709913.db2.gz UXBMZRFYNBKGDK-PBHICJAKSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cs1 ZINC000972333232 715709915 /nfs/dbraw/zinc/70/99/15/715709915.db2.gz UXBMZRFYNBKGDK-PBHICJAKSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333529 715710469 /nfs/dbraw/zinc/71/04/69/715710469.db2.gz WRTMMKVTBPFBMG-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333529 715710471 /nfs/dbraw/zinc/71/04/71/715710471.db2.gz WRTMMKVTBPFBMG-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333525 715710520 /nfs/dbraw/zinc/71/05/20/715710520.db2.gz WRTMMKVTBPFBMG-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333525 715710524 /nfs/dbraw/zinc/71/05/24/715710524.db2.gz WRTMMKVTBPFBMG-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336323 715712054 /nfs/dbraw/zinc/71/20/54/715712054.db2.gz WPGGMFFPZDKYRM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336323 715712055 /nfs/dbraw/zinc/71/20/55/715712055.db2.gz WPGGMFFPZDKYRM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001022807703 715729940 /nfs/dbraw/zinc/72/99/40/715729940.db2.gz LPAGXUMURKLLIH-CEXWTWQISA-N 1 3 347.478 2.825 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001022807965 715730014 /nfs/dbraw/zinc/73/00/14/715730014.db2.gz PNBWDRSMDUAVHM-HSALFYBXSA-N 1 3 343.515 2.995 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972353791 715738788 /nfs/dbraw/zinc/73/87/88/715738788.db2.gz INNBEEOWAHWBKX-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972353791 715738792 /nfs/dbraw/zinc/73/87/92/715738792.db2.gz INNBEEOWAHWBKX-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000972353307 715740340 /nfs/dbraw/zinc/74/03/40/715740340.db2.gz FSSFYPADFLRYOQ-MSOLQXFVSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000972353307 715740345 /nfs/dbraw/zinc/74/03/45/715740345.db2.gz FSSFYPADFLRYOQ-MSOLQXFVSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000972354228 715740561 /nfs/dbraw/zinc/74/05/61/715740561.db2.gz KUXHRVNUSQCIIF-QUCCMNQESA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000972354228 715740566 /nfs/dbraw/zinc/74/05/66/715740566.db2.gz KUXHRVNUSQCIIF-QUCCMNQESA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000972355010 715741939 /nfs/dbraw/zinc/74/19/39/715741939.db2.gz QRNMPQLUFPOTSV-IRXDYDNUSA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000972355010 715741945 /nfs/dbraw/zinc/74/19/45/715741945.db2.gz QRNMPQLUFPOTSV-IRXDYDNUSA-N 1 3 337.895 2.713 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001027441356 715811081 /nfs/dbraw/zinc/81/10/81/715811081.db2.gz FDCQFGOUELYNQR-GOSISDBHSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001027441356 715811088 /nfs/dbraw/zinc/81/10/88/715811088.db2.gz FDCQFGOUELYNQR-GOSISDBHSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001027440251 715815813 /nfs/dbraw/zinc/81/58/13/715815813.db2.gz ARMPSBQLRACTDP-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001027440251 715815818 /nfs/dbraw/zinc/81/58/18/715815818.db2.gz ARMPSBQLRACTDP-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027444521 715820122 /nfs/dbraw/zinc/82/01/22/715820122.db2.gz SGZXEALQJBUEEI-IAGOWNOFSA-N 1 3 335.517 2.511 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444752 715821259 /nfs/dbraw/zinc/82/12/59/715821259.db2.gz VDFRVNSEWIRGQO-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444752 715821264 /nfs/dbraw/zinc/82/12/64/715821264.db2.gz VDFRVNSEWIRGQO-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445071 715821762 /nfs/dbraw/zinc/82/17/62/715821762.db2.gz ZHOJCYRUDURQCX-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445071 715821769 /nfs/dbraw/zinc/82/17/69/715821769.db2.gz ZHOJCYRUDURQCX-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO C[N@H+](CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972425231 715872605 /nfs/dbraw/zinc/87/26/05/715872605.db2.gz FVQOXQOAVJFBMF-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCC1CCCCCC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972425231 715872609 /nfs/dbraw/zinc/87/26/09/715872609.db2.gz FVQOXQOAVJFBMF-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027461538 715892328 /nfs/dbraw/zinc/89/23/28/715892328.db2.gz MOSPEGZVQPVHIX-IEBWSBKVSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027461538 715892332 /nfs/dbraw/zinc/89/23/32/715892332.db2.gz MOSPEGZVQPVHIX-IEBWSBKVSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027462295 715893799 /nfs/dbraw/zinc/89/37/99/715893799.db2.gz WAWYVRYVOZQHOP-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027462295 715893803 /nfs/dbraw/zinc/89/38/03/715893803.db2.gz WAWYVRYVOZQHOP-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001027217461 715921559 /nfs/dbraw/zinc/92/15/59/715921559.db2.gz LGPZZWGIRCYMBH-PXNSSMCTSA-N 1 3 341.499 2.598 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(Cl)c1 ZINC001027218194 715922004 /nfs/dbraw/zinc/92/20/04/715922004.db2.gz ZSBQQBIQIPZKCQ-MRXNPFEDSA-N 1 3 349.906 2.682 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218097 715922225 /nfs/dbraw/zinc/92/22/25/715922225.db2.gz XNPVEGXBLMOZGL-MSOLQXFVSA-N 1 3 329.488 2.590 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218099 715922271 /nfs/dbraw/zinc/92/22/71/715922271.db2.gz XNPVEGXBLMOZGL-ROUUACIJSA-N 1 3 329.488 2.590 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CC3CCC3)C2)c1 ZINC001027234147 715946234 /nfs/dbraw/zinc/94/62/34/715946234.db2.gz QGMLGOFIECAMMC-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893411334 715977460 /nfs/dbraw/zinc/97/74/60/715977460.db2.gz DWIQARBFIVXKCW-AEEMCCEDSA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893411334 715977465 /nfs/dbraw/zinc/97/74/65/715977465.db2.gz DWIQARBFIVXKCW-AEEMCCEDSA-N 1 3 332.488 2.679 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001022976971 716046819 /nfs/dbraw/zinc/04/68/19/716046819.db2.gz PIRSVKJGNLQYSL-XUWVNRHRSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001022976971 716046827 /nfs/dbraw/zinc/04/68/27/716046827.db2.gz PIRSVKJGNLQYSL-XUWVNRHRSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001022980479 716049856 /nfs/dbraw/zinc/04/98/56/716049856.db2.gz XAZNMRQNFULJNP-KFWWJZLASA-N 1 3 347.890 2.734 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000161587166 716054520 /nfs/dbraw/zinc/05/45/20/716054520.db2.gz KMEVGHPZUHOJKT-CYBMUJFWSA-N 1 3 338.883 2.916 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001023024813 716093726 /nfs/dbraw/zinc/09/37/26/716093726.db2.gz HTANXSMZGPERSM-BBWFWOEESA-N 1 3 326.444 2.649 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001023086314 716141278 /nfs/dbraw/zinc/14/12/78/716141278.db2.gz ICYMLCZISCZJIT-BARDWOONSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001023086314 716141281 /nfs/dbraw/zinc/14/12/81/716141281.db2.gz ICYMLCZISCZJIT-BARDWOONSA-N 1 3 335.879 2.590 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001023123111 716161801 /nfs/dbraw/zinc/16/18/01/716161801.db2.gz PPBCWKWKZWGHFX-AMBYYYRHSA-N 1 3 329.488 2.605 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001023124167 716163008 /nfs/dbraw/zinc/16/30/08/716163008.db2.gz ARIPRLLPKFTALI-SMOSDQRPSA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001023124326 716163527 /nfs/dbraw/zinc/16/35/27/716163527.db2.gz FSXVAAPPMCXEDI-PBWTXFEYSA-N 1 3 329.488 2.605 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)c1 ZINC001023126083 716163958 /nfs/dbraw/zinc/16/39/58/716163958.db2.gz HBCGUICHCWKTRM-KDURUIRLSA-N 1 3 329.488 2.789 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001023128632 716165191 /nfs/dbraw/zinc/16/51/91/716165191.db2.gz MUTZYCXEYJHVSZ-DQEVTTJGSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001023130299 716165765 /nfs/dbraw/zinc/16/57/65/716165765.db2.gz IHQVGBRSMJZSLA-NSHGMRRFSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001023130539 716165841 /nfs/dbraw/zinc/16/58/41/716165841.db2.gz TXTQBWTZSOPFSA-OTWHNJEPSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001023130699 716165907 /nfs/dbraw/zinc/16/59/07/716165907.db2.gz BBSXBDFQLOQWDH-SCTDSRPQSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001023130619 716165958 /nfs/dbraw/zinc/16/59/58/716165958.db2.gz XCXHVSSZHHGOAI-CEXWTWQISA-N 1 3 347.478 2.767 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001023130903 716166079 /nfs/dbraw/zinc/16/60/79/716166079.db2.gz LRFVELWLBLTKJM-BWPNAZKDSA-N 1 3 341.499 2.785 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001023130906 716166290 /nfs/dbraw/zinc/16/62/90/716166290.db2.gz LRFVELWLBLTKJM-PIKOESSRSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977451469 716228149 /nfs/dbraw/zinc/22/81/49/716228149.db2.gz JFFMQGHIJAJWQQ-MOPGFXCFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977451469 716228155 /nfs/dbraw/zinc/22/81/55/716228155.db2.gz JFFMQGHIJAJWQQ-MOPGFXCFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458118 716239995 /nfs/dbraw/zinc/23/99/95/716239995.db2.gz AQRYDKVGMNJSAA-RBUKOAKNSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458118 716239998 /nfs/dbraw/zinc/23/99/98/716239998.db2.gz AQRYDKVGMNJSAA-RBUKOAKNSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC000985470754 724443801 /nfs/dbraw/zinc/44/38/01/724443801.db2.gz QDBLCJREPYESFS-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC000985470754 724443803 /nfs/dbraw/zinc/44/38/03/724443803.db2.gz QDBLCJREPYESFS-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023365206 716384837 /nfs/dbraw/zinc/38/48/37/716384837.db2.gz ZKEVPJREVRQJJS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023365206 716384842 /nfs/dbraw/zinc/38/48/42/716384842.db2.gz ZKEVPJREVRQJJS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365241 716385659 /nfs/dbraw/zinc/38/56/59/716385659.db2.gz AKRUJMQYKWEOBZ-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365241 716385664 /nfs/dbraw/zinc/38/56/64/716385664.db2.gz AKRUJMQYKWEOBZ-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599832 716406070 /nfs/dbraw/zinc/40/60/70/716406070.db2.gz MZJHEFMNDDTURF-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599832 716406071 /nfs/dbraw/zinc/40/60/71/716406071.db2.gz MZJHEFMNDDTURF-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977621978 716422089 /nfs/dbraw/zinc/42/20/89/716422089.db2.gz LYZDLLNFIPTAFN-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977621978 716422092 /nfs/dbraw/zinc/42/20/92/716422092.db2.gz LYZDLLNFIPTAFN-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680290 716486042 /nfs/dbraw/zinc/48/60/42/716486042.db2.gz CGOSDQUGKILAGX-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680290 716486048 /nfs/dbraw/zinc/48/60/48/716486048.db2.gz CGOSDQUGKILAGX-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001027681076 716489045 /nfs/dbraw/zinc/48/90/45/716489045.db2.gz OQTIZPATYGYFSP-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001027681076 716489047 /nfs/dbraw/zinc/48/90/47/716489047.db2.gz OQTIZPATYGYFSP-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001027681073 716489151 /nfs/dbraw/zinc/48/91/51/716489151.db2.gz OQTIZPATYGYFSP-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001027681073 716489154 /nfs/dbraw/zinc/48/91/54/716489154.db2.gz OQTIZPATYGYFSP-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027692820 716542647 /nfs/dbraw/zinc/54/26/47/716542647.db2.gz APZZBESKVKEASG-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027692820 716542650 /nfs/dbraw/zinc/54/26/50/716542650.db2.gz APZZBESKVKEASG-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027562339 716588613 /nfs/dbraw/zinc/58/86/13/716588613.db2.gz NFELKVIMTJDHHJ-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027562339 716588617 /nfs/dbraw/zinc/58/86/17/716588617.db2.gz NFELKVIMTJDHHJ-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575548 716685779 /nfs/dbraw/zinc/68/57/79/716685779.db2.gz BDVAHTUJLLCBCQ-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575548 716685786 /nfs/dbraw/zinc/68/57/86/716685786.db2.gz BDVAHTUJLLCBCQ-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCc3cccs3)C2)C1 ZINC001027575562 716685858 /nfs/dbraw/zinc/68/58/58/716685858.db2.gz BFLBTTIEEYFYCQ-DLBZAZTESA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3cccs3)C2)C1 ZINC001027575562 716685862 /nfs/dbraw/zinc/68/58/62/716685862.db2.gz BFLBTTIEEYFYCQ-DLBZAZTESA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575552 716685890 /nfs/dbraw/zinc/68/58/90/716685890.db2.gz BDVAHTUJLLCBCQ-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575552 716685896 /nfs/dbraw/zinc/68/58/96/716685896.db2.gz BDVAHTUJLLCBCQ-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCc3cccs3)C2)C1 ZINC001027575565 716686104 /nfs/dbraw/zinc/68/61/04/716686104.db2.gz BFLBTTIEEYFYCQ-IRXDYDNUSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCc3cccs3)C2)C1 ZINC001027575565 716686107 /nfs/dbraw/zinc/68/61/07/716686107.db2.gz BFLBTTIEEYFYCQ-IRXDYDNUSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979077312 716695780 /nfs/dbraw/zinc/69/57/80/716695780.db2.gz LOQMUCCUNRAONX-XLNTUCKNSA-N 1 3 343.515 2.702 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979077312 716695782 /nfs/dbraw/zinc/69/57/82/716695782.db2.gz LOQMUCCUNRAONX-XLNTUCKNSA-N 1 3 343.515 2.702 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027576925 716700297 /nfs/dbraw/zinc/70/02/97/716700297.db2.gz ZTMARZRMHRHIQG-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027576925 716700299 /nfs/dbraw/zinc/70/02/99/716700299.db2.gz ZTMARZRMHRHIQG-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577017 716701879 /nfs/dbraw/zinc/70/18/79/716701879.db2.gz CGAVOQZJIKRDMH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577017 716701882 /nfs/dbraw/zinc/70/18/82/716701882.db2.gz CGAVOQZJIKRDMH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027575662 716704650 /nfs/dbraw/zinc/70/46/50/716704650.db2.gz BZMPDFMJNCOKCS-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027575662 716704653 /nfs/dbraw/zinc/70/46/53/716704653.db2.gz BZMPDFMJNCOKCS-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576085 716708948 /nfs/dbraw/zinc/70/89/48/716708948.db2.gz JXQPXQIZXGOLQR-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576085 716708953 /nfs/dbraw/zinc/70/89/53/716708953.db2.gz JXQPXQIZXGOLQR-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001027576092 716709164 /nfs/dbraw/zinc/70/91/64/716709164.db2.gz KBYAHKZQWFSZLX-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001027576092 716709170 /nfs/dbraw/zinc/70/91/70/716709170.db2.gz KBYAHKZQWFSZLX-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027576193 716710266 /nfs/dbraw/zinc/71/02/66/716710266.db2.gz LVCFWZMDJYXHOL-PKOBYXMFSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027576193 716710273 /nfs/dbraw/zinc/71/02/73/716710273.db2.gz LVCFWZMDJYXHOL-PKOBYXMFSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576426 716713445 /nfs/dbraw/zinc/71/34/45/716713445.db2.gz OTRGPAMCNANHLD-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576426 716713451 /nfs/dbraw/zinc/71/34/51/716713451.db2.gz OTRGPAMCNANHLD-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027576540 716714573 /nfs/dbraw/zinc/71/45/73/716714573.db2.gz QYJXXHITJKBGAD-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027576540 716714576 /nfs/dbraw/zinc/71/45/76/716714576.db2.gz QYJXXHITJKBGAD-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027576696 716715509 /nfs/dbraw/zinc/71/55/09/716715509.db2.gz UWBCRIVWMKCGSI-NVXWUHKLSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027576696 716715514 /nfs/dbraw/zinc/71/55/14/716715514.db2.gz UWBCRIVWMKCGSI-NVXWUHKLSA-N 1 3 335.517 2.655 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000972609561 716716939 /nfs/dbraw/zinc/71/69/39/716716939.db2.gz BERDFRVFZIWUKQ-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000972609561 716716942 /nfs/dbraw/zinc/71/69/42/716716942.db2.gz BERDFRVFZIWUKQ-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577636 716723931 /nfs/dbraw/zinc/72/39/31/716723931.db2.gz PGIQBTHKBUNRML-QAPCUYQASA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577636 716723935 /nfs/dbraw/zinc/72/39/35/716723935.db2.gz PGIQBTHKBUNRML-QAPCUYQASA-N 1 3 327.488 2.530 20 0 EFADHO C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577807 716727262 /nfs/dbraw/zinc/72/72/62/716727262.db2.gz UNAJEOCQXPQBSI-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577807 716727267 /nfs/dbraw/zinc/72/72/67/716727267.db2.gz UNAJEOCQXPQBSI-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023632578 716745603 /nfs/dbraw/zinc/74/56/03/716745603.db2.gz NDGDPBRPXKQPJD-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023632578 716745605 /nfs/dbraw/zinc/74/56/05/716745605.db2.gz NDGDPBRPXKQPJD-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001023696509 716838911 /nfs/dbraw/zinc/83/89/11/716838911.db2.gz OLQLGLGHWSMLNW-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023696509 716838915 /nfs/dbraw/zinc/83/89/15/716838915.db2.gz OLQLGLGHWSMLNW-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594905 716879847 /nfs/dbraw/zinc/87/98/47/716879847.db2.gz QCYLIERGLIMOQM-MAUKXSAKSA-N 1 3 326.444 2.636 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594905 716879854 /nfs/dbraw/zinc/87/98/54/716879854.db2.gz QCYLIERGLIMOQM-MAUKXSAKSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762252 716977137 /nfs/dbraw/zinc/97/71/37/716977137.db2.gz VCSHQYFSXJSGQG-PKOBYXMFSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1)C1CC1 ZINC000985470964 724444332 /nfs/dbraw/zinc/44/43/32/724444332.db2.gz RFCUTRIPOUSXRD-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1)C1CC1 ZINC000985470964 724444334 /nfs/dbraw/zinc/44/43/34/724444334.db2.gz RFCUTRIPOUSXRD-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734130 717161191 /nfs/dbraw/zinc/16/11/91/717161191.db2.gz VXPZALBPISVWOK-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734130 717161192 /nfs/dbraw/zinc/16/11/92/717161192.db2.gz VXPZALBPISVWOK-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC000972733412 717163413 /nfs/dbraw/zinc/16/34/13/717163413.db2.gz QEGNFWIHBPVKQM-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC000972733412 717163414 /nfs/dbraw/zinc/16/34/14/717163414.db2.gz QEGNFWIHBPVKQM-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972741222 717172929 /nfs/dbraw/zinc/17/29/29/717172929.db2.gz XGJWHNDELRIMPR-CRAIPNDOSA-N 1 3 345.462 2.515 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC001023986199 717173163 /nfs/dbraw/zinc/17/31/63/717173163.db2.gz FBPQVEKCTGCVHP-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404435 717217362 /nfs/dbraw/zinc/21/73/62/717217362.db2.gz AYCRTSSGWWIHEG-GOSISDBHSA-N 1 3 349.906 2.511 20 0 EFADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404435 717217364 /nfs/dbraw/zinc/21/73/64/717217364.db2.gz AYCRTSSGWWIHEG-GOSISDBHSA-N 1 3 349.906 2.511 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404743 717217858 /nfs/dbraw/zinc/21/78/58/717217858.db2.gz CRCRDUINPVQFKX-IEBWSBKVSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404743 717217863 /nfs/dbraw/zinc/21/78/63/717217863.db2.gz CRCRDUINPVQFKX-IEBWSBKVSA-N 1 3 329.488 2.685 20 0 EFADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404824 717217898 /nfs/dbraw/zinc/21/78/98/717217898.db2.gz DDNMVWHFSXTXKR-FQEVSTJZSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404824 717217905 /nfs/dbraw/zinc/21/79/05/717217905.db2.gz DDNMVWHFSXTXKR-FQEVSTJZSA-N 1 3 341.499 2.693 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404901 717218016 /nfs/dbraw/zinc/21/80/16/717218016.db2.gz FACYFIGTMYLWIQ-CRAIPNDOSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404901 717218022 /nfs/dbraw/zinc/21/80/22/717218022.db2.gz FACYFIGTMYLWIQ-CRAIPNDOSA-N 1 3 333.451 2.515 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405575 717218941 /nfs/dbraw/zinc/21/89/41/717218941.db2.gz KJJOMTOBSLGCPX-OALUTQOASA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405575 717218944 /nfs/dbraw/zinc/21/89/44/717218944.db2.gz KJJOMTOBSLGCPX-OALUTQOASA-N 1 3 347.478 2.905 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406787 717220612 /nfs/dbraw/zinc/22/06/12/717220612.db2.gz RZUCUDIPORHDNT-MSOLQXFVSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406787 717220618 /nfs/dbraw/zinc/22/06/18/717220618.db2.gz RZUCUDIPORHDNT-MSOLQXFVSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001024026192 717236319 /nfs/dbraw/zinc/23/63/19/717236319.db2.gz BHOGPPMHFMDSFP-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001024028035 717237670 /nfs/dbraw/zinc/23/76/70/717237670.db2.gz ZJTGPZDRHCDWMK-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930072 717243404 /nfs/dbraw/zinc/24/34/04/717243404.db2.gz MLEKVAHZBAJBLY-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930072 717243409 /nfs/dbraw/zinc/24/34/09/717243409.db2.gz MLEKVAHZBAJBLY-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001024038479 717248499 /nfs/dbraw/zinc/24/84/99/717248499.db2.gz HGNMPXGLPQMYER-NVXWUHKLSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001024038577 717249251 /nfs/dbraw/zinc/24/92/51/717249251.db2.gz JIGJIMSQZKMNMW-IEBWSBKVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001024038497 717249526 /nfs/dbraw/zinc/24/95/26/717249526.db2.gz HSBVMZYVJVURQQ-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000980476760 717318054 /nfs/dbraw/zinc/31/80/54/717318054.db2.gz XBDVEYLLEXLDLG-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000980476760 717318057 /nfs/dbraw/zinc/31/80/57/717318057.db2.gz XBDVEYLLEXLDLG-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000980483498 717342210 /nfs/dbraw/zinc/34/22/10/717342210.db2.gz QANYRLIXQNGDKK-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000980483498 717342213 /nfs/dbraw/zinc/34/22/13/717342213.db2.gz QANYRLIXQNGDKK-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979712647 717372381 /nfs/dbraw/zinc/37/23/81/717372381.db2.gz NBGBLECLGCVDTB-RCCFBDPRSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979712647 717372384 /nfs/dbraw/zinc/37/23/84/717372384.db2.gz NBGBLECLGCVDTB-RCCFBDPRSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001024139013 717395922 /nfs/dbraw/zinc/39/59/22/717395922.db2.gz ADGUJLPUCDJIBZ-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001024155856 717449767 /nfs/dbraw/zinc/44/97/67/717449767.db2.gz BIYNLOKYEXOVJX-IEBWSBKVSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001024155828 717449779 /nfs/dbraw/zinc/44/97/79/717449779.db2.gz ANNWXJDAPOULAD-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001024156307 717450707 /nfs/dbraw/zinc/45/07/07/717450707.db2.gz LBRZONCDNLRUKU-INIZCTEOSA-N 1 3 349.544 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024156126 717450728 /nfs/dbraw/zinc/45/07/28/717450728.db2.gz IPHYMDGDQWLASB-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001024156085 717450740 /nfs/dbraw/zinc/45/07/40/717450740.db2.gz HYCBUZFMEWAHBU-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156108 717450809 /nfs/dbraw/zinc/45/08/09/717450809.db2.gz IIAVKIOWRSYCKT-PKOBYXMFSA-N 1 3 333.520 2.657 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001024156454 717450916 /nfs/dbraw/zinc/45/09/16/717450916.db2.gz NXGRFBWPWKUUFW-NVXWUHKLSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024156588 717451652 /nfs/dbraw/zinc/45/16/52/717451652.db2.gz QEIICGKUMQTPOK-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001024156724 717451695 /nfs/dbraw/zinc/45/16/95/717451695.db2.gz SKVLMTLZTZXZSO-QUCCMNQESA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001024156751 717451713 /nfs/dbraw/zinc/45/17/13/717451713.db2.gz SSOSWFDXWRIOLS-QZTJIDSGSA-N 1 3 347.547 2.879 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001024162771 717458326 /nfs/dbraw/zinc/45/83/26/717458326.db2.gz ZUSXZXMGIBCASR-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024177549 717475897 /nfs/dbraw/zinc/47/58/97/717475897.db2.gz RHYIHSXSMCWBHQ-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024179041 717478074 /nfs/dbraw/zinc/47/80/74/717478074.db2.gz IUAPKNQFPRMYHC-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980608265 717488992 /nfs/dbraw/zinc/48/89/92/717488992.db2.gz ZKVSGHVBWHLCNV-CVEARBPZSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001024212335 717497000 /nfs/dbraw/zinc/49/70/00/717497000.db2.gz OADDHAFLCROHBO-GOSISDBHSA-N 1 3 349.563 2.983 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001024212336 717497200 /nfs/dbraw/zinc/49/72/00/717497200.db2.gz OADDHAFLCROHBO-SFHVURJKSA-N 1 3 349.563 2.983 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892444278 717501237 /nfs/dbraw/zinc/50/12/37/717501237.db2.gz MLGLPTGFBDKFFN-SAABIXHNSA-N 1 3 338.540 2.657 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001024278437 717563883 /nfs/dbraw/zinc/56/38/83/717563883.db2.gz OKFWCKNBWAMCRU-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700406 717605563 /nfs/dbraw/zinc/60/55/63/717605563.db2.gz NLYJLXRFLGVLPB-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700876 717606094 /nfs/dbraw/zinc/60/60/94/717606094.db2.gz USZULJFWHVVRER-SJORKVTESA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700873 717606203 /nfs/dbraw/zinc/60/62/03/717606203.db2.gz USZULJFWHVVRER-DLBZAZTESA-N 1 3 349.563 2.981 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000980708330 717615714 /nfs/dbraw/zinc/61/57/14/717615714.db2.gz JYSFGCOKUYHYHS-QAPCUYQASA-N 1 3 340.471 2.541 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878707 717742026 /nfs/dbraw/zinc/74/20/26/717742026.db2.gz HFXSKMUMGDWHKI-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878707 717742030 /nfs/dbraw/zinc/74/20/30/717742030.db2.gz HFXSKMUMGDWHKI-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001027878682 717742307 /nfs/dbraw/zinc/74/23/07/717742307.db2.gz GRGAVVWNXCTTKB-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001027878682 717742311 /nfs/dbraw/zinc/74/23/11/717742311.db2.gz GRGAVVWNXCTTKB-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027878706 717742515 /nfs/dbraw/zinc/74/25/15/717742515.db2.gz HFXSKMUMGDWHKI-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027878706 717742519 /nfs/dbraw/zinc/74/25/19/717742519.db2.gz HFXSKMUMGDWHKI-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001027879449 717746738 /nfs/dbraw/zinc/74/67/38/717746738.db2.gz SIFJMJPFVGFKCS-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001027879449 717746742 /nfs/dbraw/zinc/74/67/42/717746742.db2.gz SIFJMJPFVGFKCS-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001027879449 717746748 /nfs/dbraw/zinc/74/67/48/717746748.db2.gz SIFJMJPFVGFKCS-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001027879449 717746754 /nfs/dbraw/zinc/74/67/54/717746754.db2.gz SIFJMJPFVGFKCS-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN1CCCC1 ZINC000980799094 717755069 /nfs/dbraw/zinc/75/50/69/717755069.db2.gz FNUVUIQKGGEGPI-QFBILLFUSA-N 1 3 347.478 2.579 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029901506 724466769 /nfs/dbraw/zinc/46/67/69/724466769.db2.gz HDIBZAXDKMXSOP-WBVHZDCISA-N 1 3 349.906 2.572 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029901506 724466771 /nfs/dbraw/zinc/46/67/71/724466771.db2.gz HDIBZAXDKMXSOP-WBVHZDCISA-N 1 3 349.906 2.572 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800866 717764399 /nfs/dbraw/zinc/76/43/99/717764399.db2.gz RREIAWGUBHMBEN-ROUUACIJSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC000985483185 724467319 /nfs/dbraw/zinc/46/73/19/724467319.db2.gz WAGCXALZZFOSHW-IBGZPJMESA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC000985483185 724467323 /nfs/dbraw/zinc/46/73/23/724467323.db2.gz WAGCXALZZFOSHW-IBGZPJMESA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985483238 724467343 /nfs/dbraw/zinc/46/73/43/724467343.db2.gz WZPRLMVKJCEGFH-IBGZPJMESA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985483238 724467344 /nfs/dbraw/zinc/46/73/44/724467344.db2.gz WZPRLMVKJCEGFH-IBGZPJMESA-N 1 3 349.494 2.835 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCCCC2)CN1C(=O)CN1CCCC1 ZINC000980799618 717774042 /nfs/dbraw/zinc/77/40/42/717774042.db2.gz JGXASIBAAHNVIL-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001029754880 724473708 /nfs/dbraw/zinc/47/37/08/724473708.db2.gz FGVFOJABWMWWCW-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001029754880 724473712 /nfs/dbraw/zinc/47/37/12/724473712.db2.gz FGVFOJABWMWWCW-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514325 717855351 /nfs/dbraw/zinc/85/53/51/717855351.db2.gz XRRXVGHNJALRGV-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024514325 717855352 /nfs/dbraw/zinc/85/53/52/717855352.db2.gz XRRXVGHNJALRGV-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024514325 717855353 /nfs/dbraw/zinc/85/53/53/717855353.db2.gz XRRXVGHNJALRGV-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514325 717855354 /nfs/dbraw/zinc/85/53/54/717855354.db2.gz XRRXVGHNJALRGV-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514325 717855355 /nfs/dbraw/zinc/85/53/55/717855355.db2.gz XRRXVGHNJALRGV-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514326 717855615 /nfs/dbraw/zinc/85/56/15/717855615.db2.gz XRRXVGHNJALRGV-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024514326 717855622 /nfs/dbraw/zinc/85/56/22/717855622.db2.gz XRRXVGHNJALRGV-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024514326 717855627 /nfs/dbraw/zinc/85/56/27/717855627.db2.gz XRRXVGHNJALRGV-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514326 717855631 /nfs/dbraw/zinc/85/56/31/717855631.db2.gz XRRXVGHNJALRGV-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514326 717855636 /nfs/dbraw/zinc/85/56/36/717855636.db2.gz XRRXVGHNJALRGV-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1)N1CCCC1 ZINC000980173698 717857216 /nfs/dbraw/zinc/85/72/16/717857216.db2.gz SBSTWLRWBWSPDD-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1)N1CCCC1 ZINC000980173698 717857223 /nfs/dbraw/zinc/85/72/23/717857223.db2.gz SBSTWLRWBWSPDD-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904455 724475406 /nfs/dbraw/zinc/47/54/06/724475406.db2.gz WRTOPJFHCRFJQA-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904455 724475408 /nfs/dbraw/zinc/47/54/08/724475408.db2.gz WRTOPJFHCRFJQA-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001029755632 724475667 /nfs/dbraw/zinc/47/56/67/724475667.db2.gz NFSSSDOJVNEMNA-UYAOXDASSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001029755632 724475669 /nfs/dbraw/zinc/47/56/69/724475669.db2.gz NFSSSDOJVNEMNA-UYAOXDASSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905584 724478819 /nfs/dbraw/zinc/47/88/19/724478819.db2.gz PJMBGDOLXHXBAL-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905584 724478821 /nfs/dbraw/zinc/47/88/21/724478821.db2.gz PJMBGDOLXHXBAL-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCCC1 ZINC001029905929 724479386 /nfs/dbraw/zinc/47/93/86/724479386.db2.gz XWDGGPDNKMQBLP-LJQANCHMSA-N 1 3 335.536 2.833 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCCC1 ZINC001029905929 724479389 /nfs/dbraw/zinc/47/93/89/724479389.db2.gz XWDGGPDNKMQBLP-LJQANCHMSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029761228 724481610 /nfs/dbraw/zinc/48/16/10/724481610.db2.gz NXQKIWKXELNGRS-MJGOQNOKSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029761228 724481614 /nfs/dbraw/zinc/48/16/14/724481614.db2.gz NXQKIWKXELNGRS-MJGOQNOKSA-N 1 3 349.494 2.692 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001029761612 724482084 /nfs/dbraw/zinc/48/20/84/724482084.db2.gz VYDSBBZCDWYPMS-UXHICEINSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001029761612 724482088 /nfs/dbraw/zinc/48/20/88/724482088.db2.gz VYDSBBZCDWYPMS-UXHICEINSA-N 1 3 345.531 2.862 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985492558 724482419 /nfs/dbraw/zinc/48/24/19/724482419.db2.gz NOCPMFONQNFBJZ-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985492558 724482421 /nfs/dbraw/zinc/48/24/21/724482421.db2.gz NOCPMFONQNFBJZ-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029766422 724483413 /nfs/dbraw/zinc/48/34/13/724483413.db2.gz BABMZGRJWWYESZ-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029766422 724483415 /nfs/dbraw/zinc/48/34/15/724483415.db2.gz BABMZGRJWWYESZ-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029761025 724483450 /nfs/dbraw/zinc/48/34/50/724483450.db2.gz JWIJMTOPLZZQIO-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029761025 724483451 /nfs/dbraw/zinc/48/34/51/724483451.db2.gz JWIJMTOPLZZQIO-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029766421 724483626 /nfs/dbraw/zinc/48/36/26/724483626.db2.gz BABMZGRJWWYESZ-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029766421 724483629 /nfs/dbraw/zinc/48/36/29/724483629.db2.gz BABMZGRJWWYESZ-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001029767566 724485936 /nfs/dbraw/zinc/48/59/36/724485936.db2.gz UNJCPRVNLIJZTQ-WOJBJXKFSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001029767566 724485937 /nfs/dbraw/zinc/48/59/37/724485937.db2.gz UNJCPRVNLIJZTQ-WOJBJXKFSA-N 1 3 345.531 2.870 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152740 718157570 /nfs/dbraw/zinc/15/75/70/718157570.db2.gz OANKGGDQVDUAIX-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152740 718157572 /nfs/dbraw/zinc/15/75/72/718157572.db2.gz OANKGGDQVDUAIX-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152737 718157820 /nfs/dbraw/zinc/15/78/20/718157820.db2.gz OANKGGDQVDUAIX-PMACEKPBSA-N 1 3 345.531 2.896 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152737 718157822 /nfs/dbraw/zinc/15/78/22/718157822.db2.gz OANKGGDQVDUAIX-PMACEKPBSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029767154 724485540 /nfs/dbraw/zinc/48/55/40/724485540.db2.gz LJWPYBMOGNGCPV-RBUKOAKNSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029767154 724485541 /nfs/dbraw/zinc/48/55/41/724485541.db2.gz LJWPYBMOGNGCPV-RBUKOAKNSA-N 1 3 331.504 2.616 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169499 718163458 /nfs/dbraw/zinc/16/34/58/718163458.db2.gz ZQZXNIPRZQBOKQ-XLIONFOSSA-N 1 3 341.499 2.624 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001024802051 718168928 /nfs/dbraw/zinc/16/89/28/718168928.db2.gz RTMSAOFPSZNNEL-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001024802051 718168930 /nfs/dbraw/zinc/16/89/30/718168930.db2.gz RTMSAOFPSZNNEL-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)C2CCC2)c1 ZINC001024983092 718248171 /nfs/dbraw/zinc/24/81/71/718248171.db2.gz LGHITWIFBTVHGU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001024982801 718248189 /nfs/dbraw/zinc/24/81/89/718248189.db2.gz DDMYNZZLBRMYKH-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001024984463 718249169 /nfs/dbraw/zinc/24/91/69/718249169.db2.gz GJIIKPBUIGPNDE-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)cs1 ZINC001024984576 718249190 /nfs/dbraw/zinc/24/91/90/718249190.db2.gz HFCYKLYVQFICQV-ZWKOTPCHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001024984886 718249268 /nfs/dbraw/zinc/24/92/68/718249268.db2.gz JOPFDXGMVRRXTI-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001024984888 718249421 /nfs/dbraw/zinc/24/94/21/718249421.db2.gz JOPFDXGMVRRXTI-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001024985377 718249702 /nfs/dbraw/zinc/24/97/02/718249702.db2.gz OEURTGGJFBEWOU-RTBURBONSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001024986661 718250210 /nfs/dbraw/zinc/25/02/10/718250210.db2.gz ZIHUSUMTIWSUDA-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001024992515 718252755 /nfs/dbraw/zinc/25/27/55/718252755.db2.gz UHHUPHBESYJCCH-IRXDYDNUSA-N 1 3 337.533 2.805 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001024999112 718257653 /nfs/dbraw/zinc/25/76/53/718257653.db2.gz RMYJCUCDCPQIKI-RTBURBONSA-N 1 3 349.494 2.945 20 0 EFADHO CCOC(=O)c1ncc(CNCCCC[NH+]2CCC(C)CC2)s1 ZINC000892587981 718314841 /nfs/dbraw/zinc/31/48/41/718314841.db2.gz AHCGVWQXYGRKBM-UHFFFAOYSA-N 1 3 339.505 2.922 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001025073306 718341648 /nfs/dbraw/zinc/34/16/48/718341648.db2.gz DJGVDKBRJWQYQR-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001025084752 718350286 /nfs/dbraw/zinc/35/02/86/718350286.db2.gz GTKCLCAEFSQNLO-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025085974 718350700 /nfs/dbraw/zinc/35/07/00/718350700.db2.gz YSVQCUPIFCNERX-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC001025085145 718351049 /nfs/dbraw/zinc/35/10/49/718351049.db2.gz NJPJXLJMJRIXLH-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025085578 718351372 /nfs/dbraw/zinc/35/13/72/718351372.db2.gz SOFFQNBFTGNRRA-DOTOQJQBSA-N 1 3 335.517 2.703 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001025086799 718351454 /nfs/dbraw/zinc/35/14/54/718351454.db2.gz FTUMMDDWCJLCDL-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001025085546 718351462 /nfs/dbraw/zinc/35/14/62/718351462.db2.gz RUDVQNYEXLNUKX-DAWZGUTISA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001025087237 718351998 /nfs/dbraw/zinc/35/19/98/718351998.db2.gz YVYUSRDHADTONL-AEFFLSMTSA-N 1 3 335.467 2.637 20 0 EFADHO O=C(N[C@@H]1CCCN(CCCF)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001007341747 718369897 /nfs/dbraw/zinc/36/98/97/718369897.db2.gz BHULGPFIKQAPIL-IAGOWNOFSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(N[C@@H]1CCCN(CCCF)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001007341747 718369898 /nfs/dbraw/zinc/36/98/98/718369898.db2.gz BHULGPFIKQAPIL-IAGOWNOFSA-N 1 3 339.499 2.581 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001025158763 718391283 /nfs/dbraw/zinc/39/12/83/718391283.db2.gz VAFHZTLNCXFDHA-IAGOWNOFSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001025158763 718391286 /nfs/dbraw/zinc/39/12/86/718391286.db2.gz VAFHZTLNCXFDHA-IAGOWNOFSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001025168344 718395831 /nfs/dbraw/zinc/39/58/31/718395831.db2.gz YUTOOCMCBSLFHD-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007454954 718403429 /nfs/dbraw/zinc/40/34/29/718403429.db2.gz AZRZDPRQUCERCU-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007454954 718403430 /nfs/dbraw/zinc/40/34/30/718403430.db2.gz AZRZDPRQUCERCU-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007454960 718403533 /nfs/dbraw/zinc/40/35/33/718403533.db2.gz AZRZDPRQUCERCU-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007454960 718403535 /nfs/dbraw/zinc/40/35/35/718403535.db2.gz AZRZDPRQUCERCU-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC000985503545 724519416 /nfs/dbraw/zinc/51/94/16/724519416.db2.gz VXPSMPYOZYGLDU-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC000985503545 724519420 /nfs/dbraw/zinc/51/94/20/724519420.db2.gz VXPSMPYOZYGLDU-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[N@@H+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332740 718634553 /nfs/dbraw/zinc/63/45/53/718634553.db2.gz FADSGDLKRVZWIV-VQTJNVASSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[N@H+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332740 718634556 /nfs/dbraw/zinc/63/45/56/718634556.db2.gz FADSGDLKRVZWIV-VQTJNVASSA-N 1 3 341.499 2.548 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000981324411 718636357 /nfs/dbraw/zinc/63/63/57/718636357.db2.gz KSBUYTPOGFEICW-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000981324411 718636361 /nfs/dbraw/zinc/63/63/61/718636361.db2.gz KSBUYTPOGFEICW-HXUWFJFHSA-N 1 3 347.547 2.999 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925804611 718638487 /nfs/dbraw/zinc/63/84/87/718638487.db2.gz KMIFUFSYZJOIPL-MJBXVCDLSA-N 1 3 330.398 2.721 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000981369384 718668403 /nfs/dbraw/zinc/66/84/03/718668403.db2.gz JQPIMRSWVUZGAQ-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000981369384 718668405 /nfs/dbraw/zinc/66/84/05/718668405.db2.gz JQPIMRSWVUZGAQ-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000981486247 718754598 /nfs/dbraw/zinc/75/45/98/718754598.db2.gz NAZVRICUDWQNAZ-ROUUACIJSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000981486611 718754827 /nfs/dbraw/zinc/75/48/27/718754827.db2.gz OOBQBOPJFBKIFX-QZTJIDSGSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000981489004 718756437 /nfs/dbraw/zinc/75/64/37/718756437.db2.gz YDHNWRPZPWNJLN-SJORKVTESA-N 1 3 344.503 2.858 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3NCCO[C@@H]3C2)nc1 ZINC001164390030 718825759 /nfs/dbraw/zinc/82/57/59/718825759.db2.gz LEYTUIJPCZEKTK-IPMKNSEASA-N 1 3 344.503 2.586 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3NCCO[C@@H]3C2)nc1 ZINC001164390030 718825760 /nfs/dbraw/zinc/82/57/60/718825760.db2.gz LEYTUIJPCZEKTK-IPMKNSEASA-N 1 3 344.503 2.586 20 0 EFADHO CC(C)CCN1CCC([NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000924596246 718875868 /nfs/dbraw/zinc/87/58/68/718875868.db2.gz PDSDBWOUHRBAJK-HDICACEKSA-N 1 3 325.541 2.586 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C/C=C\c2ccccc2)CC1 ZINC001028112577 718933922 /nfs/dbraw/zinc/93/39/22/718933922.db2.gz VBMYGYRGRBSTMS-JUIXODQZSA-N 1 3 341.499 2.622 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000981681332 718948031 /nfs/dbraw/zinc/94/80/31/718948031.db2.gz CLZUPWCMSRDWQL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981681332 718948034 /nfs/dbraw/zinc/94/80/34/718948034.db2.gz CLZUPWCMSRDWQL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)N1CCCC1 ZINC000981743199 718994624 /nfs/dbraw/zinc/99/46/24/718994624.db2.gz QTMQUXNSWBVNNQ-QRVBRYPASA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)N1CCCC1 ZINC000981743199 718994626 /nfs/dbraw/zinc/99/46/26/718994626.db2.gz QTMQUXNSWBVNNQ-QRVBRYPASA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)N1CCCCC1 ZINC000981768826 719028013 /nfs/dbraw/zinc/02/80/13/719028013.db2.gz UIBWUMAMLFQCLJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)N1CCCCC1 ZINC000981768826 719028015 /nfs/dbraw/zinc/02/80/15/719028015.db2.gz UIBWUMAMLFQCLJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)Cc1ccnc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164624755 719048771 /nfs/dbraw/zinc/04/87/71/719048771.db2.gz OWHUBXJJYRAFBT-PZJWPPBQSA-N 1 3 336.483 2.727 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2)C1CC1 ZINC000981811915 719071891 /nfs/dbraw/zinc/07/18/91/719071891.db2.gz BLPGWUPCPGHQLY-KRWDZBQOSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC000981812496 719072615 /nfs/dbraw/zinc/07/26/15/719072615.db2.gz PSXMWAQYPWWBLB-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC000981812496 719072616 /nfs/dbraw/zinc/07/26/16/719072616.db2.gz PSXMWAQYPWWBLB-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812240 719072791 /nfs/dbraw/zinc/07/27/91/719072791.db2.gz LABMMFONFHVADW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000981812240 719072795 /nfs/dbraw/zinc/07/27/95/719072795.db2.gz LABMMFONFHVADW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028138159 719115253 /nfs/dbraw/zinc/11/52/53/719115253.db2.gz SZJIAAJUHNHRQZ-FQEVSTJZSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868456 719146353 /nfs/dbraw/zinc/14/63/53/719146353.db2.gz VULAFAVQAZXRAB-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCN(CCCc3ccsc3)CC2)CC1 ZINC000981872264 719148319 /nfs/dbraw/zinc/14/83/19/719148319.db2.gz HBCLWWZEUUSAIB-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc([O-])c(F)c2)cc1 ZINC000892913642 719273842 /nfs/dbraw/zinc/27/38/42/719273842.db2.gz FZYCFKGKVIKRHI-UHFFFAOYSA-N 1 3 332.419 2.804 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025808918 719322160 /nfs/dbraw/zinc/32/21/60/719322160.db2.gz ZTHNFHOYNKUUME-MVBLQPKNSA-N 1 3 341.499 2.668 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025808918 719322163 /nfs/dbraw/zinc/32/21/63/719322163.db2.gz ZTHNFHOYNKUUME-MVBLQPKNSA-N 1 3 341.499 2.668 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025808980 719322392 /nfs/dbraw/zinc/32/23/92/719322392.db2.gz INRDFICTDUTBAM-SGWMQEFOSA-N 1 3 347.547 2.734 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025808980 719322395 /nfs/dbraw/zinc/32/23/95/719322395.db2.gz INRDFICTDUTBAM-SGWMQEFOSA-N 1 3 347.547 2.734 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001019774712 719382906 /nfs/dbraw/zinc/38/29/06/719382906.db2.gz FHOWIZPRUDTTMA-INIZCTEOSA-N 1 3 343.496 2.688 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982008418 719430241 /nfs/dbraw/zinc/43/02/41/719430241.db2.gz AOCAQYUWNMLGNN-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982008418 719430243 /nfs/dbraw/zinc/43/02/43/719430243.db2.gz AOCAQYUWNMLGNN-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC000982012235 719436608 /nfs/dbraw/zinc/43/66/08/719436608.db2.gz SMPCQWYLGGRKBJ-SFHVURJKSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC000982012235 719436611 /nfs/dbraw/zinc/43/66/11/719436611.db2.gz SMPCQWYLGGRKBJ-SFHVURJKSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCCC2CCC2)C3)C1 ZINC000982012895 719437320 /nfs/dbraw/zinc/43/73/20/719437320.db2.gz HNZMDSFBWSFOBU-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCCC2CCC2)C3)C1 ZINC000982012895 719437322 /nfs/dbraw/zinc/43/73/22/719437322.db2.gz HNZMDSFBWSFOBU-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020144342 719455886 /nfs/dbraw/zinc/45/58/86/719455886.db2.gz ZHAKXUDSQMGNIZ-BQFCYCMXSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020144342 719455892 /nfs/dbraw/zinc/45/58/92/719455892.db2.gz ZHAKXUDSQMGNIZ-BQFCYCMXSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020144323 719456106 /nfs/dbraw/zinc/45/61/06/719456106.db2.gz YYPXMYIEDVQKSM-FHWLQOOXSA-N 1 3 333.520 2.987 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC000982036468 719489934 /nfs/dbraw/zinc/48/99/34/719489934.db2.gz HNMAIMJWKBQZCF-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](CCC1=CCCCC1)C2 ZINC000982036468 719489937 /nfs/dbraw/zinc/48/99/37/719489937.db2.gz HNMAIMJWKBQZCF-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000893037493 719516313 /nfs/dbraw/zinc/51/63/13/719516313.db2.gz GXNRUYFOGXFSNF-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982084656 719527413 /nfs/dbraw/zinc/52/74/13/719527413.db2.gz XAFRSNDRTYKQTN-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000982081092 719543896 /nfs/dbraw/zinc/54/38/96/719543896.db2.gz IHJIVPJOVQBOHS-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000982081092 719543902 /nfs/dbraw/zinc/54/39/02/719543902.db2.gz IHJIVPJOVQBOHS-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925835931 719557357 /nfs/dbraw/zinc/55/73/57/719557357.db2.gz VUHLKRJMKMHELN-PMPSAXMXSA-N 1 3 333.442 2.771 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CCNC[C@H]1C1CCCC1 ZINC000925835931 719557360 /nfs/dbraw/zinc/55/73/60/719557360.db2.gz VUHLKRJMKMHELN-PMPSAXMXSA-N 1 3 333.442 2.771 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343230 719589440 /nfs/dbraw/zinc/58/94/40/719589440.db2.gz YIRFYCJPXBQPOB-MOPGFXCFSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343230 719589442 /nfs/dbraw/zinc/58/94/42/719589442.db2.gz YIRFYCJPXBQPOB-MOPGFXCFSA-N 1 3 347.547 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982163724 719608671 /nfs/dbraw/zinc/60/86/71/719608671.db2.gz QBPXIIBIRNLHLL-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982163724 719608675 /nfs/dbraw/zinc/60/86/75/719608675.db2.gz QBPXIIBIRNLHLL-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982160935 719619735 /nfs/dbraw/zinc/61/97/35/719619735.db2.gz GIQLISUWTDMZPH-CALCHBBNSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982160935 719619738 /nfs/dbraw/zinc/61/97/38/719619738.db2.gz GIQLISUWTDMZPH-CALCHBBNSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001026142779 719793521 /nfs/dbraw/zinc/79/35/21/719793521.db2.gz GWUVXTOEGCRAIG-UFEHZTMNSA-N 1 3 344.503 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001026142779 719793524 /nfs/dbraw/zinc/79/35/24/719793524.db2.gz GWUVXTOEGCRAIG-UFEHZTMNSA-N 1 3 344.503 2.523 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295922 719837908 /nfs/dbraw/zinc/83/79/08/719837908.db2.gz GEEJEFXVEGMIOQ-QRQLOZEOSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295922 719837918 /nfs/dbraw/zinc/83/79/18/719837918.db2.gz GEEJEFXVEGMIOQ-QRQLOZEOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982301457 719855854 /nfs/dbraw/zinc/85/58/54/719855854.db2.gz PHAKHQYVVZGNBV-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1)N(C)C ZINC000982301457 719855859 /nfs/dbraw/zinc/85/58/59/719855859.db2.gz PHAKHQYVVZGNBV-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301371 719857306 /nfs/dbraw/zinc/85/73/06/719857306.db2.gz NSTFECSEJRTVLE-BWPNAZKDSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301371 719857315 /nfs/dbraw/zinc/85/73/15/719857315.db2.gz NSTFECSEJRTVLE-BWPNAZKDSA-N 1 3 337.552 2.789 20 0 EFADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000261660935 719919811 /nfs/dbraw/zinc/91/98/11/719919811.db2.gz IGSYQFRVCZAZIL-OAHLLOKOSA-N 1 3 329.366 2.705 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980993 724640106 /nfs/dbraw/zinc/64/01/06/724640106.db2.gz LIPPUGGDTXUYRH-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980993 724640109 /nfs/dbraw/zinc/64/01/09/724640109.db2.gz LIPPUGGDTXUYRH-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980993 724640110 /nfs/dbraw/zinc/64/01/10/724640110.db2.gz LIPPUGGDTXUYRH-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353840 724649099 /nfs/dbraw/zinc/64/90/99/724649099.db2.gz JONACEFVNFRCBH-DNVCBOLYSA-N 1 3 347.478 2.719 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986353897 724649209 /nfs/dbraw/zinc/64/92/09/724649209.db2.gz JVRGEQWFHYROLC-UZLBHIALSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CCCC4)[C@H]3C2)CCC1 ZINC001026282534 720128287 /nfs/dbraw/zinc/12/82/87/720128287.db2.gz UIFHTOOHVQQWOH-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1F ZINC000986358201 724651114 /nfs/dbraw/zinc/65/11/14/724651114.db2.gz XFZCKKNHUMIIBP-DNVCBOLYSA-N 1 3 347.478 2.697 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1)C1CCC1 ZINC001026283563 720133487 /nfs/dbraw/zinc/13/34/87/720133487.db2.gz KBMAJSVMZQHYHZ-SXLOBPIMSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986358069 724651176 /nfs/dbraw/zinc/65/11/76/724651176.db2.gz WHVYWVBEMJUZLD-LPHOPBHVSA-N 1 3 329.488 2.558 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053196 720279349 /nfs/dbraw/zinc/27/93/49/720279349.db2.gz SYHIPCPHTHYBFC-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053196 720279351 /nfs/dbraw/zinc/27/93/51/720279351.db2.gz SYHIPCPHTHYBFC-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000178633274 720288796 /nfs/dbraw/zinc/28/87/96/720288796.db2.gz CJXLQRDHFMGNAH-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000178633274 720288800 /nfs/dbraw/zinc/28/88/00/720288800.db2.gz CJXLQRDHFMGNAH-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333241 720373313 /nfs/dbraw/zinc/37/33/13/720373313.db2.gz GYZWLHXIQRHMMQ-WMZOPIPTSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333241 720373316 /nfs/dbraw/zinc/37/33/16/720373316.db2.gz GYZWLHXIQRHMMQ-WMZOPIPTSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001028333975 720378655 /nfs/dbraw/zinc/37/86/55/720378655.db2.gz UGZOAKIMQFJHIN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CC1 ZINC001028333975 720378659 /nfs/dbraw/zinc/37/86/59/720378659.db2.gz UGZOAKIMQFJHIN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccnc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164734402 720547699 /nfs/dbraw/zinc/54/76/99/720547699.db2.gz IBKDGJRKCPYWFW-QGZVFWFLSA-N 1 3 346.519 2.659 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cs1 ZINC000947685577 720553472 /nfs/dbraw/zinc/55/34/72/720553472.db2.gz NRVBXMCLUOHMHW-KSSFIOAISA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026427455 720559028 /nfs/dbraw/zinc/55/90/28/720559028.db2.gz OGZQIPWZNUPKNE-YTQUADARSA-N 1 3 329.488 2.597 20 0 EFADHO C[NH2+][C@@H](C)Cc1noc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000261705820 720563472 /nfs/dbraw/zinc/56/34/72/720563472.db2.gz IKJIHCBLUBXQQG-DZGCQCFKSA-N 1 3 332.423 2.739 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839903 724689396 /nfs/dbraw/zinc/68/93/96/724689396.db2.gz LVJBDQGPOUCCMI-ZWKOTPCHSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839903 724689398 /nfs/dbraw/zinc/68/93/98/724689398.db2.gz LVJBDQGPOUCCMI-ZWKOTPCHSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001029840166 724690181 /nfs/dbraw/zinc/69/01/81/724690181.db2.gz SGOHQBKOVYLDDV-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001029840166 724690184 /nfs/dbraw/zinc/69/01/84/724690184.db2.gz SGOHQBKOVYLDDV-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029841591 724691839 /nfs/dbraw/zinc/69/18/39/724691839.db2.gz KLYHVIYOUAOZAO-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029841591 724691840 /nfs/dbraw/zinc/69/18/40/724691840.db2.gz KLYHVIYOUAOZAO-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](Cc1ccsc1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841250 724692228 /nfs/dbraw/zinc/69/22/28/724692228.db2.gz HMSSKSBUNIJSEH-INIZCTEOSA-N 1 3 349.544 2.760 20 0 EFADHO C[N@H+](Cc1ccsc1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841250 724692229 /nfs/dbraw/zinc/69/22/29/724692229.db2.gz HMSSKSBUNIJSEH-INIZCTEOSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029842072 724693540 /nfs/dbraw/zinc/69/35/40/724693540.db2.gz NJNDMHZHOYNCEW-CVEARBPZSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029842072 724693541 /nfs/dbraw/zinc/69/35/41/724693541.db2.gz NJNDMHZHOYNCEW-CVEARBPZSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001029841805 724694216 /nfs/dbraw/zinc/69/42/16/724694216.db2.gz MWZALOWYOCHMIO-MOPGFXCFSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001029841805 724694221 /nfs/dbraw/zinc/69/42/21/724694221.db2.gz MWZALOWYOCHMIO-MOPGFXCFSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001029842909 724697623 /nfs/dbraw/zinc/69/76/23/724697623.db2.gz YUTSJMWNRGCSGE-WBVHZDCISA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001029842909 724697624 /nfs/dbraw/zinc/69/76/24/724697624.db2.gz YUTSJMWNRGCSGE-WBVHZDCISA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001029842907 724697703 /nfs/dbraw/zinc/69/77/03/724697703.db2.gz YUTSJMWNRGCSGE-NVXWUHKLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001029842907 724697704 /nfs/dbraw/zinc/69/77/04/724697704.db2.gz YUTSJMWNRGCSGE-NVXWUHKLSA-N 1 3 349.544 2.821 20 0 EFADHO C[N@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842760 724698811 /nfs/dbraw/zinc/69/88/11/724698811.db2.gz WHTZPAPHTCZXJK-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842760 724698814 /nfs/dbraw/zinc/69/88/14/724698814.db2.gz WHTZPAPHTCZXJK-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520221 720703179 /nfs/dbraw/zinc/70/31/79/720703179.db2.gz NSTFECSEJRTVLE-LFGUQSLTSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520221 720703182 /nfs/dbraw/zinc/70/31/82/720703182.db2.gz NSTFECSEJRTVLE-LFGUQSLTSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001026560865 720748400 /nfs/dbraw/zinc/74/84/00/720748400.db2.gz HTOJUCYPCUHRHR-DZIBYMRMSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1cc(C[NH2+]C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001026561182 720748621 /nfs/dbraw/zinc/74/86/21/720748621.db2.gz RSMZOVWLRWXNET-RWBZWWBESA-N 1 3 349.544 2.915 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC001026561222 720748846 /nfs/dbraw/zinc/74/88/46/720748846.db2.gz SRSOHFFEVIPVRU-IUDNXUCKSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001026560862 720748854 /nfs/dbraw/zinc/74/88/54/720748854.db2.gz HRVDAYQYRRNKJZ-FAEJEUNOSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001026561167 720748861 /nfs/dbraw/zinc/74/88/61/720748861.db2.gz QZPZYOJNMGECHD-KKXNLOMOSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CCC([NH2+]CC3CC3)CC2)C1 ZINC001026559941 720752805 /nfs/dbraw/zinc/75/28/05/720752805.db2.gz XAVGFSFHKNQYID-RJYAGPCLSA-N 1 3 339.499 2.626 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029843988 724706205 /nfs/dbraw/zinc/70/62/05/724706205.db2.gz UHLRAVPFRPSAFW-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029843988 724706206 /nfs/dbraw/zinc/70/62/06/724706206.db2.gz UHLRAVPFRPSAFW-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029844097 724706502 /nfs/dbraw/zinc/70/65/02/724706502.db2.gz WKPRBOVPEYJQOK-MOPGFXCFSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029844097 724706506 /nfs/dbraw/zinc/70/65/06/724706506.db2.gz WKPRBOVPEYJQOK-MOPGFXCFSA-N 1 3 331.504 2.616 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001029844163 724707049 /nfs/dbraw/zinc/70/70/49/724707049.db2.gz XKVVFDCVVRPPBZ-PMACEKPBSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001029844163 724707051 /nfs/dbraw/zinc/70/70/51/724707051.db2.gz XKVVFDCVVRPPBZ-PMACEKPBSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553441 720816787 /nfs/dbraw/zinc/81/67/87/720816787.db2.gz LJOSYICLUSNNTR-BWPNAZKDSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553441 720816792 /nfs/dbraw/zinc/81/67/92/720816792.db2.gz LJOSYICLUSNNTR-BWPNAZKDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCC(C)(C)C)C[C@]3(C)C2)C1 ZINC000982555602 720825588 /nfs/dbraw/zinc/82/55/88/720825588.db2.gz BUHQBTMGNIRKGB-UIFIKXQLSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCC(C)(C)C)C[C@]3(C)C2)C1 ZINC000982555602 720825593 /nfs/dbraw/zinc/82/55/93/720825593.db2.gz BUHQBTMGNIRKGB-UIFIKXQLSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557125 720828741 /nfs/dbraw/zinc/82/87/41/720828741.db2.gz KOEQMAMYOAXDHT-LFGUQSLTSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557125 720828746 /nfs/dbraw/zinc/82/87/46/720828746.db2.gz KOEQMAMYOAXDHT-LFGUQSLTSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557123 720828888 /nfs/dbraw/zinc/82/88/88/720828888.db2.gz KOEQMAMYOAXDHT-BWPNAZKDSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557123 720828901 /nfs/dbraw/zinc/82/89/01/720828901.db2.gz KOEQMAMYOAXDHT-BWPNAZKDSA-N 1 3 335.536 2.545 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511303 720853880 /nfs/dbraw/zinc/85/38/80/720853880.db2.gz WFPFWLWVKSFECL-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511303 720853890 /nfs/dbraw/zinc/85/38/90/720853890.db2.gz WFPFWLWVKSFECL-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537726 720986965 /nfs/dbraw/zinc/98/69/65/720986965.db2.gz QZVIKUXQSUQQNU-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537726 720986968 /nfs/dbraw/zinc/98/69/68/720986968.db2.gz QZVIKUXQSUQQNU-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028537514 720987229 /nfs/dbraw/zinc/98/72/29/720987229.db2.gz MSRNQWXAAMAWEB-AEFFLSMTSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028537514 720987232 /nfs/dbraw/zinc/98/72/32/720987232.db2.gz MSRNQWXAAMAWEB-AEFFLSMTSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028537811 720988098 /nfs/dbraw/zinc/98/80/98/720988098.db2.gz SPEOCVNFZDJUBO-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028537811 720988101 /nfs/dbraw/zinc/98/81/01/720988101.db2.gz SPEOCVNFZDJUBO-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028548489 720990644 /nfs/dbraw/zinc/99/06/44/720990644.db2.gz BHZIMNMHQHSPLE-BFYDXBDKSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028548489 720990646 /nfs/dbraw/zinc/99/06/46/720990646.db2.gz BHZIMNMHQHSPLE-BFYDXBDKSA-N 1 3 349.906 2.618 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001026734910 721005255 /nfs/dbraw/zinc/00/52/55/721005255.db2.gz WMAUKNKCWOLJIG-XLIONFOSSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734714 721010072 /nfs/dbraw/zinc/01/00/72/721010072.db2.gz SAQZZPBQOPMWGD-QAPCUYQASA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734715 721010105 /nfs/dbraw/zinc/01/01/05/721010105.db2.gz SAQZZPBQOPMWGD-YJBOKZPZSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001029947071 724729162 /nfs/dbraw/zinc/72/91/62/724729162.db2.gz HDHJWRLZBJGZEK-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001029947071 724729163 /nfs/dbraw/zinc/72/91/63/724729163.db2.gz HDHJWRLZBJGZEK-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2F)CC1 ZINC001029947568 724729676 /nfs/dbraw/zinc/72/96/76/724729676.db2.gz RSPMVQJNSOHOFT-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001029947568 724729678 /nfs/dbraw/zinc/72/96/78/724729678.db2.gz RSPMVQJNSOHOFT-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028579926 721102083 /nfs/dbraw/zinc/10/20/83/721102083.db2.gz LTRMQCFIMHEPCM-OALUTQOASA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028579926 721102085 /nfs/dbraw/zinc/10/20/85/721102085.db2.gz LTRMQCFIMHEPCM-OALUTQOASA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028580389 721110385 /nfs/dbraw/zinc/11/03/85/721110385.db2.gz VQNDHRIRIIZCPT-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028580389 721110389 /nfs/dbraw/zinc/11/03/89/721110389.db2.gz VQNDHRIRIIZCPT-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028580429 721110544 /nfs/dbraw/zinc/11/05/44/721110544.db2.gz WCFLZBFNJCYHRZ-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028580429 721110548 /nfs/dbraw/zinc/11/05/48/721110548.db2.gz WCFLZBFNJCYHRZ-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028580597 721111855 /nfs/dbraw/zinc/11/18/55/721111855.db2.gz ZKHJTWVCSQRQGW-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028580597 721111859 /nfs/dbraw/zinc/11/18/59/721111859.db2.gz ZKHJTWVCSQRQGW-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652761 721242916 /nfs/dbraw/zinc/24/29/16/721242916.db2.gz QRNHQRDKVYBOOW-MSOLQXFVSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652761 721242918 /nfs/dbraw/zinc/24/29/18/721242918.db2.gz QRNHQRDKVYBOOW-MSOLQXFVSA-N 1 3 335.536 2.757 20 0 EFADHO CC1(C)CN(CCCF)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000974680630 721275922 /nfs/dbraw/zinc/27/59/22/721275922.db2.gz JJBNJWADHZEJKM-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(CCCF)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000974680630 721275925 /nfs/dbraw/zinc/27/59/25/721275925.db2.gz JJBNJWADHZEJKM-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001026885025 721293723 /nfs/dbraw/zinc/29/37/23/721293723.db2.gz FDEJXYMFHMJDBM-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885660 721294376 /nfs/dbraw/zinc/29/43/76/721294376.db2.gz KYWXQRJLWPEKSI-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001026885868 721295023 /nfs/dbraw/zinc/29/50/23/721295023.db2.gz NWSSXSOURHMEMH-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC001026889044 721297431 /nfs/dbraw/zinc/29/74/31/721297431.db2.gz REKSVLSXMBPVPP-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC001026889421 721298159 /nfs/dbraw/zinc/29/81/59/721298159.db2.gz WUOTVFKOVDJUCP-MJGOQNOKSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001026889215 721298269 /nfs/dbraw/zinc/29/82/69/721298269.db2.gz UDOMGFJJLKEPSS-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001026890524 721299768 /nfs/dbraw/zinc/29/97/68/721299768.db2.gz JXGLIFXGXDWMLG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001026891394 721300942 /nfs/dbraw/zinc/30/09/42/721300942.db2.gz SUABJLYNPDZGSN-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001026891391 721301064 /nfs/dbraw/zinc/30/10/64/721301064.db2.gz SUABJLYNPDZGSN-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC000985645967 724749124 /nfs/dbraw/zinc/74/91/24/724749124.db2.gz FYPSQRKRWJSOKK-HNNXBMFYSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC000985645967 724749127 /nfs/dbraw/zinc/74/91/27/724749127.db2.gz FYPSQRKRWJSOKK-HNNXBMFYSA-N 1 3 349.544 2.964 20 0 EFADHO CC(C)C[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646008 724749156 /nfs/dbraw/zinc/74/91/56/724749156.db2.gz GKBDGRSCNVWARD-IBGZPJMESA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646008 724749158 /nfs/dbraw/zinc/74/91/58/724749158.db2.gz GKBDGRSCNVWARD-IBGZPJMESA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831116 721303434 /nfs/dbraw/zinc/30/34/34/721303434.db2.gz GTWKOLLNMYSEFY-LFGUQSLTSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831116 721303435 /nfs/dbraw/zinc/30/34/35/721303435.db2.gz GTWKOLLNMYSEFY-LFGUQSLTSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1)C1CC1 ZINC001026887030 721306664 /nfs/dbraw/zinc/30/66/64/721306664.db2.gz JYNOFPNHHRWQCM-KBXCAEBGSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887746 721307048 /nfs/dbraw/zinc/30/70/48/721307048.db2.gz ULYIPFGPGRGKHJ-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001026887522 721307304 /nfs/dbraw/zinc/30/73/04/721307304.db2.gz QLEQXLJLRLVSST-YJBOKZPZSA-N 1 3 349.906 2.618 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001026888720 721309317 /nfs/dbraw/zinc/30/93/17/721309317.db2.gz MNOWFJLXYPZCCU-DAWZGUTISA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901194 721311907 /nfs/dbraw/zinc/31/19/07/721311907.db2.gz KMYVLVYUPOHRTF-APWZRJJASA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901003 721312106 /nfs/dbraw/zinc/31/21/06/721312106.db2.gz HLAUKCCGGIAHJG-MOPGFXCFSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901410 721312562 /nfs/dbraw/zinc/31/25/62/721312562.db2.gz OWMMXEJBLFOVFB-HKUYNNGSSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001026901425 721312719 /nfs/dbraw/zinc/31/27/19/721312719.db2.gz PCBWBJZNFJYVPI-UXHICEINSA-N 1 3 345.531 2.828 20 0 EFADHO C[N@H+](Cc1ccccc1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985647009 724752364 /nfs/dbraw/zinc/75/23/64/724752364.db2.gz NEUJATKPQVKSPV-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+](Cc1ccccc1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985647009 724752368 /nfs/dbraw/zinc/75/23/68/724752368.db2.gz NEUJATKPQVKSPV-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000985647002 724752634 /nfs/dbraw/zinc/75/26/34/724752634.db2.gz MYZKBYVLVJYVHL-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000985647002 724752636 /nfs/dbraw/zinc/75/26/36/724752636.db2.gz MYZKBYVLVJYVHL-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001026916908 721344142 /nfs/dbraw/zinc/34/41/42/721344142.db2.gz RRHIFZJZDBNQFK-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001026917212 721344260 /nfs/dbraw/zinc/34/42/60/721344260.db2.gz XFBODUAVASDBPY-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001026917076 721344312 /nfs/dbraw/zinc/34/43/12/721344312.db2.gz VIIALFCDDYTTCR-ZWKOTPCHSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCc2cccs2)CC1 ZINC000985647288 724753433 /nfs/dbraw/zinc/75/34/33/724753433.db2.gz OHMCKTCIPYTSBK-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC000985647288 724753434 /nfs/dbraw/zinc/75/34/34/724753434.db2.gz OHMCKTCIPYTSBK-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1 ZINC000985648107 724755090 /nfs/dbraw/zinc/75/50/90/724755090.db2.gz VHWCSSZDIHSZFD-KRWDZBQOSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC000985648107 724755095 /nfs/dbraw/zinc/75/50/95/724755095.db2.gz VHWCSSZDIHSZFD-KRWDZBQOSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761266 721399299 /nfs/dbraw/zinc/39/92/99/721399299.db2.gz ULKYMDZSRFNTBC-MSOLQXFVSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761266 721399305 /nfs/dbraw/zinc/39/93/05/721399305.db2.gz ULKYMDZSRFNTBC-MSOLQXFVSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC000985652384 724760952 /nfs/dbraw/zinc/76/09/52/724760952.db2.gz FGIUNELYRHSWHT-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC000985652384 724760956 /nfs/dbraw/zinc/76/09/56/724760956.db2.gz FGIUNELYRHSWHT-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000985652702 724761386 /nfs/dbraw/zinc/76/13/86/724761386.db2.gz HGVTWKPNEAORAM-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000985652702 724761391 /nfs/dbraw/zinc/76/13/91/724761391.db2.gz HGVTWKPNEAORAM-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766795 721413366 /nfs/dbraw/zinc/41/33/66/721413366.db2.gz KAYQVLFUIFKZTL-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766795 721413368 /nfs/dbraw/zinc/41/33/68/721413368.db2.gz KAYQVLFUIFKZTL-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccsc3)CC2)C1 ZINC000985653706 724762277 /nfs/dbraw/zinc/76/22/77/724762277.db2.gz LZJXUACYROACRN-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccsc3)CC2)C1 ZINC000985653706 724762279 /nfs/dbraw/zinc/76/22/79/724762279.db2.gz LZJXUACYROACRN-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985653681 724762602 /nfs/dbraw/zinc/76/26/02/724762602.db2.gz LNCHXTYIFWURRS-KRWDZBQOSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000985653681 724762604 /nfs/dbraw/zinc/76/26/04/724762604.db2.gz LNCHXTYIFWURRS-KRWDZBQOSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762172 721419447 /nfs/dbraw/zinc/41/94/47/721419447.db2.gz WMUGAMFKCYQPRO-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762172 721419449 /nfs/dbraw/zinc/41/94/49/721419449.db2.gz WMUGAMFKCYQPRO-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CC4(CCC4)C3)CC2)C1 ZINC000985654387 724763348 /nfs/dbraw/zinc/76/33/48/724763348.db2.gz OHQWOLJHVZFGNU-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CC4(CCC4)C3)CC2)C1 ZINC000985654387 724763349 /nfs/dbraw/zinc/76/33/49/724763349.db2.gz OHQWOLJHVZFGNU-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC000985655153 724763516 /nfs/dbraw/zinc/76/35/16/724763516.db2.gz SHDBZWAIRKRIPJ-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC000985655153 724763521 /nfs/dbraw/zinc/76/35/21/724763521.db2.gz SHDBZWAIRKRIPJ-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974778837 721426414 /nfs/dbraw/zinc/42/64/14/721426414.db2.gz WVHZFEKGIDVKRU-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974778837 721426416 /nfs/dbraw/zinc/42/64/16/721426416.db2.gz WVHZFEKGIDVKRU-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985655321 724763893 /nfs/dbraw/zinc/76/38/93/724763893.db2.gz IRTIAISBSQNKCC-ZBFHGGJFSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985655321 724763896 /nfs/dbraw/zinc/76/38/96/724763896.db2.gz IRTIAISBSQNKCC-ZBFHGGJFSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000985654817 724764408 /nfs/dbraw/zinc/76/44/08/724764408.db2.gz DAEKCXLBWXHLQO-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000985654817 724764410 /nfs/dbraw/zinc/76/44/10/724764410.db2.gz DAEKCXLBWXHLQO-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1)N(C)C ZINC000985658672 724769840 /nfs/dbraw/zinc/76/98/40/724769840.db2.gz YUIBPQALTRKFAW-IBGZPJMESA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1)N(C)C ZINC000985658672 724769842 /nfs/dbraw/zinc/76/98/42/724769842.db2.gz YUIBPQALTRKFAW-IBGZPJMESA-N 1 3 349.494 2.919 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001029853001 724772254 /nfs/dbraw/zinc/77/22/54/724772254.db2.gz KKTRYSPNBVEVEX-HNNXBMFYSA-N 1 3 346.500 2.611 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001029853001 724772256 /nfs/dbraw/zinc/77/22/56/724772256.db2.gz KKTRYSPNBVEVEX-HNNXBMFYSA-N 1 3 346.500 2.611 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC(C)(C)CC1 ZINC001029853292 724778171 /nfs/dbraw/zinc/77/81/71/724778171.db2.gz MSRGRKUAQBYQBM-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC(C)(C)CC1 ZINC001029853292 724778174 /nfs/dbraw/zinc/77/81/74/724778174.db2.gz MSRGRKUAQBYQBM-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001029971129 724778655 /nfs/dbraw/zinc/77/86/55/724778655.db2.gz LTJDCDJYIXBSEX-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001029971129 724778659 /nfs/dbraw/zinc/77/86/59/724778659.db2.gz LTJDCDJYIXBSEX-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1)C1CCC1 ZINC001029971250 724778934 /nfs/dbraw/zinc/77/89/34/724778934.db2.gz TTYJTLBFXIJPGC-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1)C1CCC1 ZINC001029971250 724778937 /nfs/dbraw/zinc/77/89/37/724778937.db2.gz TTYJTLBFXIJPGC-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853713 724779299 /nfs/dbraw/zinc/77/92/99/724779299.db2.gz QPHARHGBGGEGLQ-OAHLLOKOSA-N 1 3 346.862 2.586 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853713 724779302 /nfs/dbraw/zinc/77/93/02/724779302.db2.gz QPHARHGBGGEGLQ-OAHLLOKOSA-N 1 3 346.862 2.586 20 0 EFADHO CC1CCC(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000985674793 724784041 /nfs/dbraw/zinc/78/40/41/724784041.db2.gz JIWJSEOKNUUHDQ-UHFFFAOYSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCC(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000985674793 724784043 /nfs/dbraw/zinc/78/40/43/724784043.db2.gz JIWJSEOKNUUHDQ-UHFFFAOYSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC001029973246 724785233 /nfs/dbraw/zinc/78/52/33/724785233.db2.gz XLESWYAWHIXFPL-MRXNPFEDSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC001029973246 724785236 /nfs/dbraw/zinc/78/52/36/724785236.db2.gz XLESWYAWHIXFPL-MRXNPFEDSA-N 1 3 345.478 2.542 20 0 EFADHO COCCOc1cccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261826266 721745048 /nfs/dbraw/zinc/74/50/48/721745048.db2.gz YIYWZTBSPAABIA-CTNGQTDRSA-N 1 3 340.467 2.886 20 0 EFADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710393 721878433 /nfs/dbraw/zinc/87/84/33/721878433.db2.gz MCFXEXRGVVZCEA-WMZOPIPTSA-N 1 3 349.494 2.591 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754743 721937255 /nfs/dbraw/zinc/93/72/55/721937255.db2.gz KVHFUQUWYDGIRL-AEFFLSMTSA-N 1 3 349.544 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754743 721937257 /nfs/dbraw/zinc/93/72/57/721937257.db2.gz KVHFUQUWYDGIRL-AEFFLSMTSA-N 1 3 349.544 2.808 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780703 721985536 /nfs/dbraw/zinc/98/55/36/721985536.db2.gz MMWFIDRBJBCFBL-JKSUJKDBSA-N 1 3 347.478 2.667 20 0 EFADHO C[C@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000261921510 722010225 /nfs/dbraw/zinc/01/02/25/722010225.db2.gz XRQNTMSCTZYRJD-KRWDZBQOSA-N 1 3 329.488 2.771 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000985713076 724820620 /nfs/dbraw/zinc/82/06/20/724820620.db2.gz NUCWGKCSMUYWIA-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000985713076 724820623 /nfs/dbraw/zinc/82/06/23/724820623.db2.gz NUCWGKCSMUYWIA-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410123 722041998 /nfs/dbraw/zinc/04/19/98/722041998.db2.gz PQYYMQMKVRJBHU-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410123 722042001 /nfs/dbraw/zinc/04/20/01/722042001.db2.gz PQYYMQMKVRJBHU-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001038410123 722042003 /nfs/dbraw/zinc/04/20/03/722042003.db2.gz PQYYMQMKVRJBHU-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001038410123 722042005 /nfs/dbraw/zinc/04/20/05/722042005.db2.gz PQYYMQMKVRJBHU-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331856 722108101 /nfs/dbraw/zinc/10/81/01/722108101.db2.gz JOZGXIXTKHTNDF-PMACEKPBSA-N 1 3 325.456 2.702 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001029000489 722617719 /nfs/dbraw/zinc/61/77/19/722617719.db2.gz FWAMMDPFWBTCPC-FUVBFXSKSA-N 1 3 335.879 2.552 20 0 EFADHO CCN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCN(C)C1 ZINC000925062917 722688821 /nfs/dbraw/zinc/68/88/21/722688821.db2.gz RXLMITQMWQQOQQ-HFCFLWKCSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065185 722725064 /nfs/dbraw/zinc/72/50/64/722725064.db2.gz DHOAGDMYFKGIBR-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065609 722725842 /nfs/dbraw/zinc/72/58/42/722725842.db2.gz JECULOLTDMSTTN-QFBILLFUSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066404 722727269 /nfs/dbraw/zinc/72/72/69/722727269.db2.gz STUFQWLILPUKJJ-PBHICJAKSA-N 1 3 335.517 2.559 20 0 EFADHO CCOc1c(CN2CCC3(C2)CC[NH2+]CC3)c(C)nn1CC(C)C ZINC000262030858 722744190 /nfs/dbraw/zinc/74/41/90/722744190.db2.gz OAZNFTCANLPALY-UHFFFAOYSA-N 1 3 334.508 2.822 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000983659899 722844599 /nfs/dbraw/zinc/84/45/99/722844599.db2.gz CXPKKFGTIYYHRZ-KBAYOESNSA-N 1 3 335.536 2.780 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782858 722846947 /nfs/dbraw/zinc/84/69/47/722846947.db2.gz NYCVPDJJBMZLID-HZSPNIEDSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782858 722846948 /nfs/dbraw/zinc/84/69/48/722846948.db2.gz NYCVPDJJBMZLID-HZSPNIEDSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029108151 722878912 /nfs/dbraw/zinc/87/89/12/722878912.db2.gz XDKABLXLEHLQHW-KXBFYZLASA-N 1 3 349.563 2.980 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108815 722879277 /nfs/dbraw/zinc/87/92/77/722879277.db2.gz RKNDJKWRCPYPMN-CGZBRXJRSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001029111214 722883182 /nfs/dbraw/zinc/88/31/82/722883182.db2.gz DJETWCOLQRXYKH-DNVCBOLYSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001029143933 722922250 /nfs/dbraw/zinc/92/22/50/722922250.db2.gz DZGHXXBCIXLMGH-BEFAXECRSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029144042 722922358 /nfs/dbraw/zinc/92/23/58/722922358.db2.gz ARHWDQBIAJXVBK-ZWKOTPCHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029147473 722925538 /nfs/dbraw/zinc/92/55/38/722925538.db2.gz UPVVNOQQSOVNJG-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172941 722941111 /nfs/dbraw/zinc/94/11/11/722941111.db2.gz HOCYTSAGVZWPDU-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)CCN1CCC([NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000925093855 723007506 /nfs/dbraw/zinc/00/75/06/723007506.db2.gz SYPVSBDFDHOYPK-UHFFFAOYSA-N 1 3 327.476 2.867 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3C3CCCCCC3)[C@@H]2C1 ZINC000896237726 723215078 /nfs/dbraw/zinc/21/50/78/723215078.db2.gz NNATWUPJVLEJER-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)[C@@H]2C1 ZINC000896237726 723215085 /nfs/dbraw/zinc/21/50/85/723215085.db2.gz NNATWUPJVLEJER-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896520206 723337187 /nfs/dbraw/zinc/33/71/87/723337187.db2.gz AZJYEYHKJFMNQH-QGZVFWFLSA-N 1 3 325.456 2.939 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896520206 723337190 /nfs/dbraw/zinc/33/71/90/723337190.db2.gz AZJYEYHKJFMNQH-QGZVFWFLSA-N 1 3 325.456 2.939 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@@H+]1C ZINC001029313861 723337891 /nfs/dbraw/zinc/33/78/91/723337891.db2.gz QIGZEHCFNDVRKJ-OQIJWPOYSA-N 1 3 331.504 2.502 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@H+]1C ZINC001029313861 723337893 /nfs/dbraw/zinc/33/78/93/723337893.db2.gz QIGZEHCFNDVRKJ-OQIJWPOYSA-N 1 3 331.504 2.502 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1 ZINC001029330760 723364416 /nfs/dbraw/zinc/36/44/16/723364416.db2.gz SJTIPGIZLVONSD-DUBPFDJUSA-N 1 3 333.520 2.582 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1 ZINC001029330760 723364421 /nfs/dbraw/zinc/36/44/21/723364421.db2.gz SJTIPGIZLVONSD-DUBPFDJUSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000939211969 728819132 /nfs/dbraw/zinc/81/91/32/728819132.db2.gz VQFLLJSYECSRMX-QRWLVFNGSA-N 1 3 348.450 2.742 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)c1 ZINC000939208526 728816604 /nfs/dbraw/zinc/81/66/04/728816604.db2.gz CXRFOCAQCORRPY-VQIMIIECSA-N 1 3 340.471 2.514 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000984798820 723494082 /nfs/dbraw/zinc/49/40/82/723494082.db2.gz CEQGQCHJYUINJN-ZVZYQTTQSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC000984800174 723494681 /nfs/dbraw/zinc/49/46/81/723494681.db2.gz OZMROAHRSIIAKU-OWQGQXMQSA-N 1 3 349.544 2.834 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC000984803739 723495977 /nfs/dbraw/zinc/49/59/77/723495977.db2.gz IVSHDEHFHIUNDA-CIWUYKSXSA-N 1 3 341.499 2.500 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC000984804198 723496076 /nfs/dbraw/zinc/49/60/76/723496076.db2.gz MUDIOQRJOLBVGD-BXWFABGCSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000984804579 723496351 /nfs/dbraw/zinc/49/63/51/723496351.db2.gz PHEFRWGLMGQIGD-BQFCYCMXSA-N 1 3 333.520 2.535 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000984805007 723496391 /nfs/dbraw/zinc/49/63/91/723496391.db2.gz QYAJTQZHQWCKOA-JFIYKMOQSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000984804975 723496466 /nfs/dbraw/zinc/49/64/66/723496466.db2.gz QRFNFHZJUMQIQW-WDSOQIARSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1F ZINC000984805020 723496490 /nfs/dbraw/zinc/49/64/90/723496490.db2.gz RBJDVLMIQHHDKI-QAETUUGQSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000984806486 723496858 /nfs/dbraw/zinc/49/68/58/723496858.db2.gz YFEQYTSUYLCLSI-CIWUYKSXSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC000984806076 723496876 /nfs/dbraw/zinc/49/68/76/723496876.db2.gz XAKQQXRFVHWORW-MZMPZRCHSA-N 1 3 349.544 2.691 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000984806032 723496880 /nfs/dbraw/zinc/49/68/80/723496880.db2.gz WDHOTRXIMYJLNM-WDSOQIARSA-N 1 3 347.547 2.783 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000984808616 723498061 /nfs/dbraw/zinc/49/80/61/723498061.db2.gz MUXDAGOTVURMPN-WGSAOQKQSA-N 1 3 343.515 2.711 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000896848997 723545527 /nfs/dbraw/zinc/54/55/27/723545527.db2.gz NSBBBBDLWRLVBR-LNLFQRSKSA-N 1 3 347.503 2.723 20 0 EFADHO O[C@H](CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C[NH+]1CCCC1 ZINC000728115265 723580738 /nfs/dbraw/zinc/58/07/38/723580738.db2.gz JPYXKPBYFWZNMC-FQEVSTJZSA-N 1 3 344.499 2.823 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC000948066697 728836762 /nfs/dbraw/zinc/83/67/62/728836762.db2.gz QNBBCVAREQOIFP-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC000948066697 728836765 /nfs/dbraw/zinc/83/67/65/728836765.db2.gz QNBBCVAREQOIFP-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031806645 728842733 /nfs/dbraw/zinc/84/27/33/728842733.db2.gz JESDEACUTGUZNC-XLIONFOSSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031806645 728842738 /nfs/dbraw/zinc/84/27/38/728842738.db2.gz JESDEACUTGUZNC-XLIONFOSSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000985073513 723814645 /nfs/dbraw/zinc/81/46/45/723814645.db2.gz KJJWAUGFLLNWOO-IYARVYRRSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000985073755 723817428 /nfs/dbraw/zinc/81/74/28/723817428.db2.gz MTRQWOJUTJQAAI-SAABIXHNSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000985074050 723817497 /nfs/dbraw/zinc/81/74/97/723817497.db2.gz PRCNMMWEYYJQGJ-DJIMGWMZSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000985146183 723882288 /nfs/dbraw/zinc/88/22/88/723882288.db2.gz OVFUCGLBCHPKRI-BMOGMMAESA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000985146194 723882381 /nfs/dbraw/zinc/88/23/81/723882381.db2.gz OYTWAZKXGMIKSK-MRHSLFKSSA-N 1 3 347.478 2.683 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000985148006 723884347 /nfs/dbraw/zinc/88/43/47/723884347.db2.gz GEODYEIEDATYMP-JEPYTBJQSA-N 1 3 343.515 2.892 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985148388 723885741 /nfs/dbraw/zinc/88/57/41/723885741.db2.gz HZMVFBFMJTYNDP-PSBWJHGTSA-N 1 3 333.520 2.844 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)N(C)C ZINC000895293482 724003358 /nfs/dbraw/zinc/00/33/58/724003358.db2.gz MJASSDDEXGEDGW-PMPSAXMXSA-N 1 3 327.513 2.952 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727468726 724065158 /nfs/dbraw/zinc/06/51/58/724065158.db2.gz NCSJKEICSBGGSX-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)C1 ZINC001029437029 724116731 /nfs/dbraw/zinc/11/67/31/724116731.db2.gz RPGQKDOQISCABF-XWTMOSNGSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)C1 ZINC001029437029 724116728 /nfs/dbraw/zinc/11/67/28/724116728.db2.gz RPGQKDOQISCABF-XWTMOSNGSA-N 1 3 339.499 2.532 20 0 EFADHO CCc1cccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327184 724128324 /nfs/dbraw/zinc/12/83/24/724128324.db2.gz DDUDEQKELXOCSU-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327184 724128326 /nfs/dbraw/zinc/12/83/26/724128326.db2.gz DDUDEQKELXOCSU-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000985328141 724129424 /nfs/dbraw/zinc/12/94/24/724129424.db2.gz RCDDVKIPROKRSD-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000985328141 724129427 /nfs/dbraw/zinc/12/94/27/724129427.db2.gz RCDDVKIPROKRSD-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC000985331026 724134167 /nfs/dbraw/zinc/13/41/67/724134167.db2.gz CBNXGDLDXJYCGD-KRWDZBQOSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC000985331026 724134170 /nfs/dbraw/zinc/13/41/70/724134170.db2.gz CBNXGDLDXJYCGD-KRWDZBQOSA-N 1 3 335.517 2.574 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333148 724139148 /nfs/dbraw/zinc/13/91/48/724139148.db2.gz YTHCEHXUDBFVEP-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333148 724139151 /nfs/dbraw/zinc/13/91/51/724139151.db2.gz YTHCEHXUDBFVEP-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 ZINC000895507389 724166033 /nfs/dbraw/zinc/16/60/33/724166033.db2.gz GGKRPOBTXWMEAE-GOSISDBHSA-N 1 3 343.471 2.579 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCC2CC2)c1 ZINC001029596457 724200557 /nfs/dbraw/zinc/20/05/57/724200557.db2.gz LWXOCTWQJOCVBH-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC2CC2)c1 ZINC001029596457 724200559 /nfs/dbraw/zinc/20/05/59/724200559.db2.gz LWXOCTWQJOCVBH-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO CC[NH+]1CCC(CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000895858558 724355020 /nfs/dbraw/zinc/35/50/20/724355020.db2.gz OKFIBFIATLSSPF-LJQANCHMSA-N 1 3 347.503 2.582 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029671833 724360030 /nfs/dbraw/zinc/36/00/30/724360030.db2.gz CNNZDUMVSRHBLL-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029671833 724360036 /nfs/dbraw/zinc/36/00/36/724360036.db2.gz CNNZDUMVSRHBLL-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671913 724360157 /nfs/dbraw/zinc/36/01/57/724360157.db2.gz FFGAQOTXBXESFC-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671913 724360159 /nfs/dbraw/zinc/36/01/59/724360159.db2.gz FFGAQOTXBXESFC-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029671627 724360288 /nfs/dbraw/zinc/36/02/88/724360288.db2.gz ALJXVNPVYAHEEZ-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029671627 724360291 /nfs/dbraw/zinc/36/02/91/724360291.db2.gz ALJXVNPVYAHEEZ-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000985440144 724361570 /nfs/dbraw/zinc/36/15/70/724361570.db2.gz DUQNAYVYDQMWSK-CRAIPNDOSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(N(C)Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000985440144 724361572 /nfs/dbraw/zinc/36/15/72/724361572.db2.gz DUQNAYVYDQMWSK-CRAIPNDOSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029673161 724363930 /nfs/dbraw/zinc/36/39/30/724363930.db2.gz WQBOPQSFUOGRFX-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029673161 724363932 /nfs/dbraw/zinc/36/39/32/724363932.db2.gz WQBOPQSFUOGRFX-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001029674296 724365052 /nfs/dbraw/zinc/36/50/52/724365052.db2.gz FDTAVPOOJDCAID-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001029674296 724365056 /nfs/dbraw/zinc/36/50/56/724365056.db2.gz FDTAVPOOJDCAID-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029674993 724366422 /nfs/dbraw/zinc/36/64/22/724366422.db2.gz JUQVAGLDKFLHIX-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029674993 724366426 /nfs/dbraw/zinc/36/64/26/724366426.db2.gz JUQVAGLDKFLHIX-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001029675349 724368615 /nfs/dbraw/zinc/36/86/15/724368615.db2.gz MLGHTVVTNCFJKC-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001029675349 724368617 /nfs/dbraw/zinc/36/86/17/724368617.db2.gz MLGHTVVTNCFJKC-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001029675350 724368858 /nfs/dbraw/zinc/36/88/58/724368858.db2.gz MLGHTVVTNCFJKC-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001029675350 724368862 /nfs/dbraw/zinc/36/88/62/724368862.db2.gz MLGHTVVTNCFJKC-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786382 724884144 /nfs/dbraw/zinc/88/41/44/724884144.db2.gz AVBXFZBMVWHQAU-KRWDZBQOSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786382 724884146 /nfs/dbraw/zinc/88/41/46/724884146.db2.gz AVBXFZBMVWHQAU-KRWDZBQOSA-N 1 3 329.488 2.766 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985802372 724896448 /nfs/dbraw/zinc/89/64/48/724896448.db2.gz RFBOHCGQCKOPAO-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985802372 724896451 /nfs/dbraw/zinc/89/64/51/724896451.db2.gz RFBOHCGQCKOPAO-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000986936367 724960812 /nfs/dbraw/zinc/96/08/12/724960812.db2.gz HOXXSCPRSOOYQD-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986937145 724961016 /nfs/dbraw/zinc/96/10/16/724961016.db2.gz IIJGXFIUFNWNHT-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)c1 ZINC000986939751 724962352 /nfs/dbraw/zinc/96/23/52/724962352.db2.gz OJDKEQRDBFEMAD-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986939745 724962392 /nfs/dbraw/zinc/96/23/92/724962392.db2.gz OFGDXILJOWXUDV-DOTOQJQBSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940497 724962605 /nfs/dbraw/zinc/96/26/05/724962605.db2.gz QKVUTDDLCFPZGA-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001029875129 724971874 /nfs/dbraw/zinc/97/18/74/724971874.db2.gz DAFOXTPMJJGDHR-XBMUEBEBSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001029875129 724971875 /nfs/dbraw/zinc/97/18/75/724971875.db2.gz DAFOXTPMJJGDHR-XBMUEBEBSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001029876225 724979989 /nfs/dbraw/zinc/97/99/89/724979989.db2.gz WLVHDDBRJQZNLA-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029876225 724979990 /nfs/dbraw/zinc/97/99/90/724979990.db2.gz WLVHDDBRJQZNLA-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC001029995773 724982955 /nfs/dbraw/zinc/98/29/55/724982955.db2.gz YKMSIDKJWALHJF-KRWDZBQOSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC001029995773 724982958 /nfs/dbraw/zinc/98/29/58/724982958.db2.gz YKMSIDKJWALHJF-KRWDZBQOSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC001029996682 724985823 /nfs/dbraw/zinc/98/58/23/724985823.db2.gz HTMUCJXYLYXLSK-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC001029996682 724985826 /nfs/dbraw/zinc/98/58/26/724985826.db2.gz HTMUCJXYLYXLSK-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC000994950181 728928405 /nfs/dbraw/zinc/92/84/05/728928405.db2.gz YOUSZRXFZRAXJB-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013487 725437149 /nfs/dbraw/zinc/43/71/49/725437149.db2.gz IWXWMPJOLQPGRQ-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013487 725437150 /nfs/dbraw/zinc/43/71/50/725437150.db2.gz IWXWMPJOLQPGRQ-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008357 725459191 /nfs/dbraw/zinc/45/91/91/725459191.db2.gz BYUAVMKMJSYEMW-ZVDOUQERSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008357 725459194 /nfs/dbraw/zinc/45/91/94/725459194.db2.gz BYUAVMKMJSYEMW-ZVDOUQERSA-N 1 3 345.531 2.774 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014901 725464301 /nfs/dbraw/zinc/46/43/01/725464301.db2.gz UMIYFZSMBQSNLK-CMKODMSKSA-N 1 3 333.520 2.774 20 0 EFADHO CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014901 725464302 /nfs/dbraw/zinc/46/43/02/725464302.db2.gz UMIYFZSMBQSNLK-CMKODMSKSA-N 1 3 333.520 2.774 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c(C)c1 ZINC000987060659 725471254 /nfs/dbraw/zinc/47/12/54/725471254.db2.gz VWRHRHPKHOUKCV-VQIMIIECSA-N 1 3 340.471 2.657 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987061279 725471510 /nfs/dbraw/zinc/47/15/10/725471510.db2.gz XYHVMSPBZNKDRQ-HNAYVOBHSA-N 1 3 340.471 2.855 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071560 725483065 /nfs/dbraw/zinc/48/30/65/725483065.db2.gz XGPCMWRPBGCVMS-YJBOKZPZSA-N 1 3 332.492 2.892 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015052698 725599190 /nfs/dbraw/zinc/59/91/90/725599190.db2.gz NQPUIFIDONUWOH-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015052698 725599191 /nfs/dbraw/zinc/59/91/91/725599191.db2.gz NQPUIFIDONUWOH-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186758 725601589 /nfs/dbraw/zinc/60/15/89/725601589.db2.gz HCDNQZPLXDTUTM-AYOQOUSVSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186758 725601590 /nfs/dbraw/zinc/60/15/90/725601590.db2.gz HCDNQZPLXDTUTM-AYOQOUSVSA-N 1 3 339.499 2.721 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252027 725612349 /nfs/dbraw/zinc/61/23/49/725612349.db2.gz DAMSWGCTGQQAND-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252032 725612361 /nfs/dbraw/zinc/61/23/61/725612361.db2.gz DAWWILOEAFWSAP-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)cs1 ZINC000987252613 725612823 /nfs/dbraw/zinc/61/28/23/725612823.db2.gz FUCUQSICYMSSNO-SJLPKXTDSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255320 725613920 /nfs/dbraw/zinc/61/39/20/725613920.db2.gz OAPSBWMOKIJWRD-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256937 725615122 /nfs/dbraw/zinc/61/51/22/725615122.db2.gz UOWRODAZOFXSEH-UYAOXDASSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC000948055517 725654382 /nfs/dbraw/zinc/65/43/82/725654382.db2.gz CZZVPLUKQROLLH-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC000948055517 725654383 /nfs/dbraw/zinc/65/43/83/725654383.db2.gz CZZVPLUKQROLLH-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360480 725669233 /nfs/dbraw/zinc/66/92/33/725669233.db2.gz VKMBLZNKBCNQCA-RHSMWYFYSA-N 1 3 347.890 2.515 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)CN1CCCC1 ZINC000987531157 725736311 /nfs/dbraw/zinc/73/63/11/725736311.db2.gz LGPNKNFYLNRXEH-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cc3ccccc3o2)CCN1C(=O)CN1CCCC1 ZINC000987521113 725738183 /nfs/dbraw/zinc/73/81/83/725738183.db2.gz XHGWQVVKXOGRJX-YJBOKZPZSA-N 1 3 341.455 2.608 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987522072 725738563 /nfs/dbraw/zinc/73/85/63/725738563.db2.gz FCCPRQLIJBBUFF-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)s1 ZINC000987535785 725742551 /nfs/dbraw/zinc/74/25/51/725742551.db2.gz ZATAWXNEXGTDFD-PBHICJAKSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569465 725759682 /nfs/dbraw/zinc/75/96/82/725759682.db2.gz XKWSXBGWUKUZOX-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CN(CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)C1CCC1 ZINC001040729354 725774374 /nfs/dbraw/zinc/77/43/74/725774374.db2.gz HIYCIJZBIKAEKW-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCF)CC3)c1 ZINC000992509336 725912622 /nfs/dbraw/zinc/91/26/22/725912622.db2.gz NCTXMUYDBPDDNR-ICSRJNTNSA-N 1 3 347.478 2.835 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCCF)CC3)c1 ZINC000992509336 725912624 /nfs/dbraw/zinc/91/26/24/725912624.db2.gz NCTXMUYDBPDDNR-ICSRJNTNSA-N 1 3 347.478 2.835 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992512372 725916396 /nfs/dbraw/zinc/91/63/96/725916396.db2.gz RYWDJJRXPJCSAQ-QUCCMNQESA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992512372 725916400 /nfs/dbraw/zinc/91/64/00/725916400.db2.gz RYWDJJRXPJCSAQ-QUCCMNQESA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992695664 726119460 /nfs/dbraw/zinc/11/94/60/726119460.db2.gz VEFGDCRUTXOOLG-KZNAEPCWSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992695668 726119524 /nfs/dbraw/zinc/11/95/24/726119524.db2.gz VEFGDCRUTXOOLG-RCCFBDPRSA-N 1 3 335.536 2.876 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@H]3C2)C1 ZINC000992806173 726244197 /nfs/dbraw/zinc/24/41/97/726244197.db2.gz DJYFGTWTRACFHS-FHWLQOOXSA-N 1 3 347.547 2.735 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC000992829096 726278379 /nfs/dbraw/zinc/27/83/79/726278379.db2.gz CMPWGUMKGJNULS-WDSOQIARSA-N 1 3 342.487 2.669 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC000992829090 726278624 /nfs/dbraw/zinc/27/86/24/726278624.db2.gz CMPWGUMKGJNULS-UHOSZYNNSA-N 1 3 342.487 2.669 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@@H]3C2)CC1 ZINC000992850564 726301164 /nfs/dbraw/zinc/30/11/64/726301164.db2.gz CAZFGNKTLKAZRD-XUVXKRRUSA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@H]3C2)CC1 ZINC000992864471 726302721 /nfs/dbraw/zinc/30/27/21/726302721.db2.gz SFCJZFQBZFDGJW-UFYCRDLUSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992867792 726304348 /nfs/dbraw/zinc/30/43/48/726304348.db2.gz YVOMUDDKJWYAKC-GBESFXJTSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]21 ZINC000992867790 726304486 /nfs/dbraw/zinc/30/44/86/726304486.db2.gz YVOMUDDKJWYAKC-CEXWTWQISA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@H]3C2)c1 ZINC000992921018 726339295 /nfs/dbraw/zinc/33/92/95/726339295.db2.gz BSQJKDWZXGCPAI-GBESFXJTSA-N 1 3 347.478 2.548 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992926725 726342536 /nfs/dbraw/zinc/34/25/36/726342536.db2.gz QGVONXJEDXFMMT-YSIASYRMSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@@]1(C[NH2+]Cc2cccc(C(N)=O)c2)CCN(Cc2ccccc2)C1 ZINC000310962845 726375425 /nfs/dbraw/zinc/37/54/25/726375425.db2.gz BXIIWFUTWXLQRC-NRFANRHFSA-N 1 3 337.467 2.787 20 0 EFADHO O=C(NCCN1CCCCC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000079941706 726411285 /nfs/dbraw/zinc/41/12/85/726411285.db2.gz OGSUQECWKGQYJI-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309914162 727052551 /nfs/dbraw/zinc/05/25/51/727052551.db2.gz WWWDJHXDRXVSJY-RBUKOAKNSA-N 1 3 331.504 2.778 20 0 EFADHO CN1CCC[C@@H]1CSc1nnc(SC[C@H]2CCC[N@@H+]2C)s1 ZINC000915603835 727101858 /nfs/dbraw/zinc/10/18/58/727101858.db2.gz RMXZKMJCZRVRCB-VXGBXAGGSA-N 1 3 344.575 2.911 20 0 EFADHO CN1CCC[C@@H]1CSc1nnc(SC[C@H]2CCC[N@H+]2C)s1 ZINC000915603835 727101860 /nfs/dbraw/zinc/10/18/60/727101860.db2.gz RMXZKMJCZRVRCB-VXGBXAGGSA-N 1 3 344.575 2.911 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[Si](C)(C)C)CC2)CC1 ZINC000911723684 727587889 /nfs/dbraw/zinc/58/78/89/727587889.db2.gz BUDUWJBZZUUYQU-UHFFFAOYSA-N 1 3 339.600 2.519 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000911802719 727601709 /nfs/dbraw/zinc/60/17/09/727601709.db2.gz LQPMBLCMSHCSJH-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733085346 727669345 /nfs/dbraw/zinc/66/93/45/727669345.db2.gz DBATYTQVWCFSAJ-UHFFFAOYSA-N 1 3 349.548 2.946 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000154249319 727755710 /nfs/dbraw/zinc/75/57/10/727755710.db2.gz LBTDBBRVULUVFW-SFHVURJKSA-N 1 3 333.520 2.634 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1(Br)CC1 ZINC000925437373 727795460 /nfs/dbraw/zinc/79/54/60/727795460.db2.gz MFTVHUAPYLNNEL-MGPQQGTHSA-N 1 3 333.314 2.781 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C[C@H](C)O1 ZINC000925438954 727811603 /nfs/dbraw/zinc/81/16/03/727811603.db2.gz GIXJWQSRAWAGNO-FCGDIQPGSA-N 1 3 326.525 2.797 20 0 EFADHO CC[C@H](CNC(=O)CCCCCC[NH3+])N1CCc2ccccc2C1 ZINC000164946969 728000872 /nfs/dbraw/zinc/00/08/72/728000872.db2.gz ABEDSMMINYWEFL-LJQANCHMSA-N 1 3 331.504 2.849 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000995181368 728185199 /nfs/dbraw/zinc/18/51/99/728185199.db2.gz HCODMIFUSZBRTL-WMZOPIPTSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000995187725 728225027 /nfs/dbraw/zinc/22/50/27/728225027.db2.gz SYPFHFYFTPEGDP-IRXDYDNUSA-N 1 3 332.492 2.715 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040948394 728307266 /nfs/dbraw/zinc/30/72/66/728307266.db2.gz PYYVVNKKIPCHQG-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)cc1CN1CCCCC1 ZINC000182708572 728323085 /nfs/dbraw/zinc/32/30/85/728323085.db2.gz ULKGIPVFJLSDEE-MRXNPFEDSA-N 1 3 347.503 2.810 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031916884 728341788 /nfs/dbraw/zinc/34/17/88/728341788.db2.gz IIDUMWYRASQUSI-IBGZPJMESA-N 1 3 333.520 2.657 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031916884 728341791 /nfs/dbraw/zinc/34/17/91/728341791.db2.gz IIDUMWYRASQUSI-IBGZPJMESA-N 1 3 333.520 2.657 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC000948767183 728368535 /nfs/dbraw/zinc/36/85/35/728368535.db2.gz RPJRVNNCJKQFPG-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC000948767183 728368536 /nfs/dbraw/zinc/36/85/36/728368536.db2.gz RPJRVNNCJKQFPG-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921640 728372254 /nfs/dbraw/zinc/37/22/54/728372254.db2.gz XKUSDFGSDMVBFX-SCTDSRPQSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921640 728372256 /nfs/dbraw/zinc/37/22/56/728372256.db2.gz XKUSDFGSDMVBFX-SCTDSRPQSA-N 1 3 343.515 2.834 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770594 728377286 /nfs/dbraw/zinc/37/72/86/728377286.db2.gz JPLQJIYWYVVGQW-IAGOWNOFSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770594 728377291 /nfs/dbraw/zinc/37/72/91/728377291.db2.gz JPLQJIYWYVVGQW-IAGOWNOFSA-N 1 3 341.515 2.779 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001040952924 728391863 /nfs/dbraw/zinc/39/18/63/728391863.db2.gz FEDJEIJWXCYZAU-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CC1CCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000229838007 728538726 /nfs/dbraw/zinc/53/87/26/728538726.db2.gz PWFSMDAJJWIKNT-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000900335619 728679577 /nfs/dbraw/zinc/67/95/77/728679577.db2.gz ZKIKFAFTCIXUTJ-BTHPGYMESA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000900335619 728679578 /nfs/dbraw/zinc/67/95/78/728679578.db2.gz ZKIKFAFTCIXUTJ-BTHPGYMESA-N 1 3 341.499 2.955 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2)[NH+](C)C ZINC001040835499 728955951 /nfs/dbraw/zinc/95/59/51/728955951.db2.gz KLMMNPWIWALJNF-MEMKZHQFSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848147 729088957 /nfs/dbraw/zinc/08/89/57/729088957.db2.gz FHDFHJRIMPXRCG-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925474453 729111508 /nfs/dbraw/zinc/11/15/08/729111508.db2.gz JKLHOUBNPWSLBG-VNQPRFMTSA-N 1 3 333.442 2.629 20 0 EFADHO COc1cccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1C ZINC000930130160 729194908 /nfs/dbraw/zinc/19/49/08/729194908.db2.gz IARWJFDBJYIXPL-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001031665792 729199785 /nfs/dbraw/zinc/19/97/85/729199785.db2.gz HPFGRMLPZJPEPW-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001031665792 729199788 /nfs/dbraw/zinc/19/97/88/729199788.db2.gz HPFGRMLPZJPEPW-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](CNC(=O)CCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000920768342 729229738 /nfs/dbraw/zinc/22/97/38/729229738.db2.gz ZOVMWXGVYSJUQV-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1C ZINC000175013853 729471903 /nfs/dbraw/zinc/47/19/03/729471903.db2.gz GMUBEEAZBRIMLN-QZTJIDSGSA-N 1 3 348.487 2.818 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1C ZINC000175013836 729472105 /nfs/dbraw/zinc/47/21/05/729472105.db2.gz GMUBEEAZBRIMLN-ROUUACIJSA-N 1 3 348.487 2.818 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031714687 729497571 /nfs/dbraw/zinc/49/75/71/729497571.db2.gz LATHDEUYKDTNII-TVPLGVNVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCN1CCCC1 ZINC000180016692 729672531 /nfs/dbraw/zinc/67/25/31/729672531.db2.gz JVFUYRRXJZNRDI-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031762756 729771148 /nfs/dbraw/zinc/77/11/48/729771148.db2.gz TXDQNGDYIGSLDD-KRWDZBQOSA-N 1 3 341.499 2.672 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766250 729773110 /nfs/dbraw/zinc/77/31/10/729773110.db2.gz DFLKXANUDVMFEW-RBUKOAKNSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001031766250 729773111 /nfs/dbraw/zinc/77/31/11/729773111.db2.gz DFLKXANUDVMFEW-RBUKOAKNSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031766249 729773121 /nfs/dbraw/zinc/77/31/21/729773121.db2.gz DFLKXANUDVMFEW-OALUTQOASA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001031766249 729773122 /nfs/dbraw/zinc/77/31/22/729773122.db2.gz DFLKXANUDVMFEW-OALUTQOASA-N 1 3 331.504 2.552 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)c1 ZINC001031765965 729773555 /nfs/dbraw/zinc/77/35/55/729773555.db2.gz XBGBTUUJGFWPMW-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)c1 ZINC001031765965 729773556 /nfs/dbraw/zinc/77/35/56/729773556.db2.gz XBGBTUUJGFWPMW-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](NCc1cnc(C3CC3)s1)[C@@H](O)C2 ZINC001550422576 1126206820 /nfs/dbraw/zinc/20/68/20/1126206820.db2.gz ZVKVPWZALZVXDH-CVYDXHPNSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](NCc1cnc(C3CC3)s1)[C@@H](O)C2 ZINC001550422576 1126206821 /nfs/dbraw/zinc/20/68/21/1126206821.db2.gz ZVKVPWZALZVXDH-CVYDXHPNSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422509 1126206881 /nfs/dbraw/zinc/20/68/81/1126206881.db2.gz XNUZSBFJIKIHAI-HPFXQQBRSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422509 1126206882 /nfs/dbraw/zinc/20/68/82/1126206882.db2.gz XNUZSBFJIKIHAI-HPFXQQBRSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001646752725 1088214688 /nfs/dbraw/zinc/21/46/88/1088214688.db2.gz KCHXZUXQNOPJCU-KRWDZBQOSA-N 1 3 346.519 2.919 20 0 EFADHO CC(C)(C)[C@@]1(CN)CC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001575116407 1088251665 /nfs/dbraw/zinc/25/16/65/1088251665.db2.gz UGOBXOJTFZNPBY-OAQYLSRUSA-N 1 3 343.515 2.658 20 0 EFADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001575116407 1088251681 /nfs/dbraw/zinc/25/16/81/1088251681.db2.gz UGOBXOJTFZNPBY-OAQYLSRUSA-N 1 3 343.515 2.658 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCc3cc(C[NH3+])ccc32)C1 ZINC001575138840 1088261660 /nfs/dbraw/zinc/26/16/60/1088261660.db2.gz GBIYLWUAYXXIDB-IBGZPJMESA-N 1 3 333.451 2.637 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC001575182850 1088291837 /nfs/dbraw/zinc/29/18/37/1088291837.db2.gz FABJVHOEBNVMDV-KDURUIRLSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]CCCNC1CC1 ZINC001575218504 1088315186 /nfs/dbraw/zinc/31/51/86/1088315186.db2.gz LURWDANOYVEGMQ-GDBMZVCRSA-N 1 3 325.497 2.802 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC001575423489 1088458165 /nfs/dbraw/zinc/45/81/65/1088458165.db2.gz VHDOPWASEIONJB-SCTDSRPQSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@H]1C ZINC001575423489 1088458179 /nfs/dbraw/zinc/45/81/79/1088458179.db2.gz VHDOPWASEIONJB-SCTDSRPQSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@@H](CN)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001575423382 1088458584 /nfs/dbraw/zinc/45/85/84/1088458584.db2.gz SXWKVKWAELFKRZ-INIZCTEOSA-N 1 3 327.513 2.844 20 0 EFADHO CC(C)[C@@H](NCc1cc(C2C[NH2+]C2)no1)[C@@H](O)c1ccc(Cl)cc1 ZINC001575472444 1088491183 /nfs/dbraw/zinc/49/11/83/1088491183.db2.gz MZJNHAREIJNWCT-MSOLQXFVSA-N 1 3 349.862 2.863 20 0 EFADHO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(CCC[NH3+])CC2 ZINC001575519794 1088528146 /nfs/dbraw/zinc/52/81/46/1088528146.db2.gz FTROWQKFEUSEPL-OAHLLOKOSA-N 1 3 325.497 2.693 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001575544128 1088544654 /nfs/dbraw/zinc/54/46/54/1088544654.db2.gz FZYAGFDKNYTDDU-RYUDHWBXSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC[C@H]([NH3+])CC(F)(F)F ZINC001575545403 1088547092 /nfs/dbraw/zinc/54/70/92/1088547092.db2.gz OBANRIDKZZUAME-NEPJUHHUSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575545405 1088547948 /nfs/dbraw/zinc/54/79/48/1088547948.db2.gz OBANRIDKZZUAME-NWDGAFQWSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001575544131 1088548177 /nfs/dbraw/zinc/54/81/77/1088548177.db2.gz FZYAGFDKNYTDDU-VXGBXAGGSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[NH2+]CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001575604677 1088583428 /nfs/dbraw/zinc/58/34/28/1088583428.db2.gz YLYMYGSRIFDOKZ-HNNXBMFYSA-N 1 3 345.409 2.670 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001575644157 1088607162 /nfs/dbraw/zinc/60/71/62/1088607162.db2.gz HFIPBHWYHZJUQM-HKUYNNGSSA-N 1 3 331.504 2.873 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001575730225 1088649575 /nfs/dbraw/zinc/64/95/75/1088649575.db2.gz BTHMWJBHNGVUMJ-SFHVURJKSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCONC(=O)OC(C)(C)C ZINC001575934416 1088783754 /nfs/dbraw/zinc/78/37/54/1088783754.db2.gz PRWXOMCRWXFMRH-HUUCEWRRSA-N 1 3 329.485 2.733 20 0 EFADHO C[C@H](CN(C)Cc1cccc2c1CC[NH2+]C2)NC(=O)OC(C)(C)C ZINC001575976931 1088825074 /nfs/dbraw/zinc/82/50/74/1088825074.db2.gz YRRRYGMXENCAGL-CQSZACIVSA-N 1 3 333.476 2.677 20 0 EFADHO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC001576051492 1088884462 /nfs/dbraw/zinc/88/44/62/1088884462.db2.gz CGGGRVUWODCRFI-CQSZACIVSA-N 1 3 339.418 2.586 20 0 EFADHO C[C@@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576239504 1089035195 /nfs/dbraw/zinc/03/51/95/1089035195.db2.gz OOXURYCFMQYVMA-BZUAXINKSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001647236338 1089145377 /nfs/dbraw/zinc/14/53/77/1089145377.db2.gz HOUYYBXYTJSDMP-IIBYNOLFSA-N 1 3 349.478 2.898 20 0 EFADHO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394591 1089183253 /nfs/dbraw/zinc/18/32/53/1089183253.db2.gz RBZLLHJCOFSMLO-SJLPKXTDSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394591 1089183258 /nfs/dbraw/zinc/18/32/58/1089183258.db2.gz RBZLLHJCOFSMLO-SJLPKXTDSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001576479845 1089285389 /nfs/dbraw/zinc/28/53/89/1089285389.db2.gz HCKGIGNLGRGMHV-QZTJIDSGSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576597314 1089345829 /nfs/dbraw/zinc/34/58/29/1089345829.db2.gz FLRIVNOFIYGBKK-TWMKSMIVSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576597314 1089345840 /nfs/dbraw/zinc/34/58/40/1089345840.db2.gz FLRIVNOFIYGBKK-TWMKSMIVSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576599572 1089349678 /nfs/dbraw/zinc/34/96/78/1089349678.db2.gz TWZAPYJXGGOIKE-YYIAUSFCSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576599572 1089349690 /nfs/dbraw/zinc/34/96/90/1089349690.db2.gz TWZAPYJXGGOIKE-YYIAUSFCSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576599571 1089350177 /nfs/dbraw/zinc/35/01/77/1089350177.db2.gz TWZAPYJXGGOIKE-TWMKSMIVSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576599571 1089350190 /nfs/dbraw/zinc/35/01/90/1089350190.db2.gz TWZAPYJXGGOIKE-TWMKSMIVSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21)N1[C@H](C)CC[C@@H]1C ZINC001576651396 1089379401 /nfs/dbraw/zinc/37/94/01/1089379401.db2.gz YZLKGXCLCUGRGG-LXTVHRRPSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@@H]1NCc2ccccc21 ZINC001576669325 1089388562 /nfs/dbraw/zinc/38/85/62/1089388562.db2.gz PYFOVJVKWQPMNA-SUMDDJOVSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693550 1089400067 /nfs/dbraw/zinc/40/00/67/1089400067.db2.gz HGALIBJXYHPNIB-HOTGVXAUSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693550 1089400082 /nfs/dbraw/zinc/40/00/82/1089400082.db2.gz HGALIBJXYHPNIB-HOTGVXAUSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693552 1089400502 /nfs/dbraw/zinc/40/05/02/1089400502.db2.gz HGALIBJXYHPNIB-JKSUJKDBSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693552 1089400513 /nfs/dbraw/zinc/40/05/13/1089400513.db2.gz HGALIBJXYHPNIB-JKSUJKDBSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001576704489 1089407797 /nfs/dbraw/zinc/40/77/97/1089407797.db2.gz MVZXIJQRSUMSHE-NNFUDEMPSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CNCC1(C)C ZINC001576723016 1089419026 /nfs/dbraw/zinc/41/90/26/1089419026.db2.gz DGPWQCDHXVKLJG-QLFBSQMISA-N 1 3 325.497 2.610 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001576797136 1089467013 /nfs/dbraw/zinc/46/70/13/1089467013.db2.gz AMOPXAFCXSBAOH-HPFXQQBRSA-N 1 3 329.488 2.660 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001576907854 1089521447 /nfs/dbraw/zinc/52/14/47/1089521447.db2.gz MLGYSBUQGHCKTK-RNIPGJKVSA-N 1 3 331.504 2.742 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562827 1089548171 /nfs/dbraw/zinc/54/81/71/1089548171.db2.gz LLZNECPHXBEYMM-GDBMZVCRSA-N 1 3 330.394 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562827 1089548181 /nfs/dbraw/zinc/54/81/81/1089548181.db2.gz LLZNECPHXBEYMM-GDBMZVCRSA-N 1 3 330.394 2.540 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562827 1089548184 /nfs/dbraw/zinc/54/81/84/1089548184.db2.gz LLZNECPHXBEYMM-GDBMZVCRSA-N 1 3 330.394 2.540 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001576971953 1089554933 /nfs/dbraw/zinc/55/49/33/1089554933.db2.gz SNLKLRKJFCIHQX-WDSOQIARSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001576971953 1089554938 /nfs/dbraw/zinc/55/49/38/1089554938.db2.gz SNLKLRKJFCIHQX-WDSOQIARSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21)c1ccco1 ZINC001577002168 1089578480 /nfs/dbraw/zinc/57/84/80/1089578480.db2.gz DJHJGPSTNVMDTH-SEFVSHJNSA-N 1 3 347.503 2.993 20 0 EFADHO CC[C@@H](CNC(=O)C[C@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC001577085632 1089644196 /nfs/dbraw/zinc/64/41/96/1089644196.db2.gz OLJOBNVBGKUKBZ-MOPGFXCFSA-N 1 3 331.504 2.703 20 0 EFADHO CC[C@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N1CCc2ccccc2C1 ZINC001577085634 1089644612 /nfs/dbraw/zinc/64/46/12/1089644612.db2.gz OLJOBNVBGKUKBZ-RBUKOAKNSA-N 1 3 331.504 2.703 20 0 EFADHO CCC(N)(CC)C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001577109652 1089664736 /nfs/dbraw/zinc/66/47/36/1089664736.db2.gz TWBKHNFQAUNFMP-NSHDSACASA-N 1 3 341.418 2.939 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC001577495658 1090010258 /nfs/dbraw/zinc/01/02/58/1090010258.db2.gz VABRCUSZDVHYOY-BZUAXINKSA-N 1 3 338.883 2.512 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]([NH3+])CCC(C)C)c2)CC1 ZINC001577780599 1090178545 /nfs/dbraw/zinc/17/85/45/1090178545.db2.gz ACIXLRHGQKCIKZ-SFHVURJKSA-N 1 3 332.492 2.531 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001577876036 1090203282 /nfs/dbraw/zinc/20/32/82/1090203282.db2.gz HAHYNUYGPSVTHD-GOSISDBHSA-N 1 3 330.476 2.935 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CNCc2ccc3c(c2)C[NH2+]C3)c1C ZINC001578044640 1090235953 /nfs/dbraw/zinc/23/59/53/1090235953.db2.gz LEDQBWUBVOMSCF-UHFFFAOYSA-N 1 3 327.428 2.701 20 0 EFADHO CCc1[nH]c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(=O)OC ZINC001578243234 1090316656 /nfs/dbraw/zinc/31/66/56/1090316656.db2.gz JYUKRDIEZRONRY-CABCVRRESA-N 1 3 333.476 2.575 20 0 EFADHO C[NH+](C)CCN(C(=O)c1ccc2c(c1)OCCNC2)C1CCCCC1 ZINC001578417044 1090366972 /nfs/dbraw/zinc/36/69/72/1090366972.db2.gz MIMMZCZZKGDVGO-UHFFFAOYSA-N 1 3 345.487 2.505 20 0 EFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CNCc2ccccc21 ZINC001578418951 1090367569 /nfs/dbraw/zinc/36/75/69/1090367569.db2.gz RVABHOOEUNWHFU-SFHVURJKSA-N 1 3 343.496 2.525 20 0 EFADHO C[NH+](C)CCc1cccc(C(=O)Nc2ccc3c(c2)OCCNC3)c1 ZINC001578419339 1090367576 /nfs/dbraw/zinc/36/75/76/1090367576.db2.gz RNHFASHEPGICSB-UHFFFAOYSA-N 1 3 339.439 2.525 20 0 EFADHO CN(C)Cc1ccccc1NC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC001578421525 1090368900 /nfs/dbraw/zinc/36/89/00/1090368900.db2.gz TZUARMNIPAUEIS-SWKXRBFHSA-N 1 3 333.501 2.690 20 0 EFADHO CN(CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001578454142 1090374648 /nfs/dbraw/zinc/37/46/48/1090374648.db2.gz UBOOVVFEXSEQNL-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CCNCC1 ZINC001578451933 1090374786 /nfs/dbraw/zinc/37/47/86/1090374786.db2.gz NXGSUJTYNXEAKM-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CCNCC1 ZINC001578451933 1090374796 /nfs/dbraw/zinc/37/47/96/1090374796.db2.gz NXGSUJTYNXEAKM-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CCNCC1 ZINC001578451934 1090374986 /nfs/dbraw/zinc/37/49/86/1090374986.db2.gz NXGSUJTYNXEAKM-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C1CCNCC1 ZINC001578451934 1090374992 /nfs/dbraw/zinc/37/49/92/1090374992.db2.gz NXGSUJTYNXEAKM-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@H]1CNCc2ccccc21 ZINC001578465964 1090379434 /nfs/dbraw/zinc/37/94/34/1090379434.db2.gz YHQGPXLVBPGFOB-IBGZPJMESA-N 1 3 329.488 2.598 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001578528916 1090392783 /nfs/dbraw/zinc/39/27/83/1090392783.db2.gz NLDRQTDDNBGHIB-MRXNPFEDSA-N 1 3 338.540 2.513 20 0 EFADHO C[NH2+]CCC1CCN(C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001578677833 1090419274 /nfs/dbraw/zinc/41/92/74/1090419274.db2.gz NGYKVQWRHSHYIN-OAHLLOKOSA-N 1 3 338.517 2.515 20 0 EFADHO COC(=O)c1cccc2c(CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccnc12 ZINC001578878285 1090462299 /nfs/dbraw/zinc/46/22/99/1090462299.db2.gz TVBNVUWIDFSJJV-LZWOXQAQSA-N 1 3 341.455 2.827 20 0 EFADHO COCC[C@@H]([NH3+])CNCC(C)(C)c1cccc(Br)c1 ZINC001579001153 1090495208 /nfs/dbraw/zinc/49/52/08/1090495208.db2.gz FPZDIKTZFHILKT-CQSZACIVSA-N 1 3 329.282 2.680 20 0 EFADHO COc1cc(C)ccc1Oc1ccccc1CN(C)C[C@@H](O)CC[NH3+] ZINC001579146819 1090526213 /nfs/dbraw/zinc/52/62/13/1090526213.db2.gz SVDDHWCJYWRFHF-KRWDZBQOSA-N 1 3 344.455 2.937 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001579199814 1090542923 /nfs/dbraw/zinc/54/29/23/1090542923.db2.gz LMAOZPSYKRBIAG-SJLPKXTDSA-N 1 3 345.487 2.525 20 0 EFADHO COc1ccc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC001579212282 1090548092 /nfs/dbraw/zinc/54/80/92/1090548092.db2.gz OMNBFOQACKWGAH-OAHLLOKOSA-N 1 3 338.879 2.939 20 0 EFADHO COc1ccc([C@@H](C)NC2CC3(C[C@H]3[NH3+])C2)c(Br)c1 ZINC001579237755 1090556051 /nfs/dbraw/zinc/55/60/51/1090556051.db2.gz MQMGMDLUVRENFV-OHGIUVIRSA-N 1 3 325.250 2.988 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001579387860 1090602416 /nfs/dbraw/zinc/60/24/16/1090602416.db2.gz OUMODAQNKJJPRX-DLBZAZTESA-N 1 3 335.517 2.660 20 0 EFADHO Cc1c(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(CN)n1C ZINC001579525339 1090626777 /nfs/dbraw/zinc/62/67/77/1090626777.db2.gz QZIHHGZBPQPXJH-CQSZACIVSA-N 1 3 342.487 2.651 20 0 EFADHO Cc1cc(-n2ccnc2)ccc1CN1CCOC2(CCC([NH3+])CC2)C1 ZINC001579547061 1090631154 /nfs/dbraw/zinc/63/11/54/1090631154.db2.gz BLHBMVBVIOYHGC-UHFFFAOYSA-N 1 3 340.471 2.653 20 0 EFADHO Cc1cc(C(=O)NC2CCN(Cc3ccc(C[NH3+])cc3)CC2)c(C)o1 ZINC001579563441 1090633696 /nfs/dbraw/zinc/63/36/96/1090633696.db2.gz MYURBJLKTGXPPD-UHFFFAOYSA-N 1 3 341.455 2.750 20 0 EFADHO Cc1cc([C@@H](N)CC(=O)NC(C)(C)CCC[NH+](C)C)cc(Cl)n1 ZINC001579571247 1090636045 /nfs/dbraw/zinc/63/60/45/1090636045.db2.gz RKWHYWXTMUMIQL-AWEZNQCLSA-N 1 3 340.899 2.670 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@H](N(C)CC3CC[NH2+]CC3)C2=O)c1 ZINC001579707005 1090667792 /nfs/dbraw/zinc/66/77/92/1090667792.db2.gz YROIXNIAGMSDOR-KRWDZBQOSA-N 1 3 333.451 2.561 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)(C)CN)C2)cc1 ZINC001579719893 1090670118 /nfs/dbraw/zinc/67/01/18/1090670118.db2.gz QRYYCKZXXJRRPQ-MRXNPFEDSA-N 1 3 332.492 2.813 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)(C)CN)C2)cc1 ZINC001579719893 1090670122 /nfs/dbraw/zinc/67/01/22/1090670122.db2.gz QRYYCKZXXJRRPQ-MRXNPFEDSA-N 1 3 332.492 2.813 20 0 EFADHO Cn1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C2CCCC2)n1 ZINC001579961706 1090733386 /nfs/dbraw/zinc/73/33/86/1090733386.db2.gz RHHHJINMZLOSEW-UYAOXDASSA-N 1 3 346.519 2.796 20 0 EFADHO [NH3+]C1CCC(NCc2cccc(F)c2I)CC1 ZINC001580173314 1090799674 /nfs/dbraw/zinc/79/96/74/1090799674.db2.gz KMSQUBLDWYKTFG-UHFFFAOYSA-N 1 3 348.203 2.790 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC1 ZINC001580215830 1090814866 /nfs/dbraw/zinc/81/48/66/1090814866.db2.gz PCIOWFIUBKRCFC-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)N1CCCC1 ZINC001580215830 1090814873 /nfs/dbraw/zinc/81/48/73/1090814873.db2.gz PCIOWFIUBKRCFC-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1cnc(-c3ccco3)s1)CC2 ZINC001580257140 1090837084 /nfs/dbraw/zinc/83/70/84/1090837084.db2.gz BCVPTZCYDQODPM-ZDUSSCGKSA-N 1 3 333.457 2.733 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CCN3C3CCCC3)cc21 ZINC001580264318 1090841005 /nfs/dbraw/zinc/84/10/05/1090841005.db2.gz LZMDKBCKFWWFDP-PKOBYXMFSA-N 1 3 341.499 2.812 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001580287491 1090850186 /nfs/dbraw/zinc/85/01/86/1090850186.db2.gz VVZMNEUHAVHFMT-HNNXBMFYSA-N 1 3 337.895 2.737 20 0 EFADHO [NH3+]Cc1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC001580339436 1090869145 /nfs/dbraw/zinc/86/91/45/1090869145.db2.gz MCKVBVUMYHZNNK-HXUWFJFHSA-N 1 3 340.467 2.765 20 0 EFADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001580388543 1090886140 /nfs/dbraw/zinc/88/61/40/1090886140.db2.gz LMRUIFSAFVMTEG-QXAKKESOSA-N 1 3 344.503 2.640 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccc2c(c1)CNC2 ZINC001580661038 1090978903 /nfs/dbraw/zinc/97/89/03/1090978903.db2.gz LMWOGUHWNZVUNJ-IBGZPJMESA-N 1 3 327.472 2.817 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+]1C1CCCCCC1)c1ccc2c(c1)CNC2 ZINC001580661038 1090978906 /nfs/dbraw/zinc/97/89/06/1090978906.db2.gz LMWOGUHWNZVUNJ-IBGZPJMESA-N 1 3 327.472 2.817 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001580821492 1091020251 /nfs/dbraw/zinc/02/02/51/1091020251.db2.gz XADSSUMACOHYEH-UXHICEINSA-N 1 3 341.499 2.887 20 0 EFADHO O[C@H](CN1CCC([C@H]2[NH2+]CC23CCC3)CC1)c1ccc(F)cc1F ZINC001580877492 1091032562 /nfs/dbraw/zinc/03/25/62/1091032562.db2.gz BLRUTJGRHMZNJG-QZTJIDSGSA-N 1 3 336.426 2.852 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC001649801345 1092692127 /nfs/dbraw/zinc/69/21/27/1092692127.db2.gz DUONEGBTZCCJPX-WZGPROSRSA-N 1 3 346.519 2.850 20 0 EFADHO C[NH2+][C@@H](C)CCN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001649839553 1092730821 /nfs/dbraw/zinc/73/08/21/1092730821.db2.gz QATWRWBUPOGHRH-NWDGAFQWSA-N 1 3 347.381 2.890 20 0 EFADHO C[NH2+][C@H](C)CCN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001649839552 1092731605 /nfs/dbraw/zinc/73/16/05/1092731605.db2.gz QATWRWBUPOGHRH-NEPJUHHUSA-N 1 3 347.381 2.890 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448492 1092764008 /nfs/dbraw/zinc/76/40/08/1092764008.db2.gz ZKSLNNYLCSWSBC-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448492 1092764014 /nfs/dbraw/zinc/76/40/14/1092764014.db2.gz ZKSLNNYLCSWSBC-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001087213356 1092873777 /nfs/dbraw/zinc/87/37/77/1092873777.db2.gz QCEFQHXIMDIPFW-GJYPPUQNSA-N 1 3 341.515 2.824 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075449910 1092874757 /nfs/dbraw/zinc/87/47/57/1092874757.db2.gz VPLFLGQEWWRRAW-AZUAARDMSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075449910 1092874765 /nfs/dbraw/zinc/87/47/65/1092874765.db2.gz VPLFLGQEWWRRAW-AZUAARDMSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001087214849 1092901538 /nfs/dbraw/zinc/90/15/38/1092901538.db2.gz RPGZYSGSGWPCRF-MNEFBYGVSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC001650075318 1092933302 /nfs/dbraw/zinc/93/33/02/1092933302.db2.gz IUPKHAPKUNHEPJ-AEFFLSMTSA-N 1 3 346.519 2.851 20 0 EFADHO COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001167628153 1093148617 /nfs/dbraw/zinc/14/86/17/1093148617.db2.gz WPJDCAOIDYCXTO-LJQANCHMSA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001650340972 1093169162 /nfs/dbraw/zinc/16/91/62/1093169162.db2.gz WZVWXJZCHDALDS-NZSAHSFTSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001650340972 1093169164 /nfs/dbraw/zinc/16/91/64/1093169164.db2.gz WZVWXJZCHDALDS-NZSAHSFTSA-N 1 3 331.504 2.871 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001087230851 1093185511 /nfs/dbraw/zinc/18/55/11/1093185511.db2.gz PZHYZRQBNIRHRX-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961760 1093196173 /nfs/dbraw/zinc/19/61/73/1093196173.db2.gz PIHZNJUQJWRXQH-GJZGRUSLSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961760 1093196176 /nfs/dbraw/zinc/19/61/76/1093196176.db2.gz PIHZNJUQJWRXQH-GJZGRUSLSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961772 1093196496 /nfs/dbraw/zinc/19/64/96/1093196496.db2.gz PKJFYGRNEXELMY-OAHLLOKOSA-N 1 3 343.479 2.569 20 0 EFADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589961772 1093196500 /nfs/dbraw/zinc/19/65/00/1093196500.db2.gz PKJFYGRNEXELMY-OAHLLOKOSA-N 1 3 343.479 2.569 20 0 EFADHO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590468774 1093442232 /nfs/dbraw/zinc/44/22/32/1093442232.db2.gz YEUKZRYTDPBYNI-OFLPRAFFSA-N 1 3 328.464 2.780 20 0 EFADHO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590468774 1093442238 /nfs/dbraw/zinc/44/22/38/1093442238.db2.gz YEUKZRYTDPBYNI-OFLPRAFFSA-N 1 3 328.464 2.780 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590686729 1093546626 /nfs/dbraw/zinc/54/66/26/1093546626.db2.gz ARVNVZMBNBAGAK-HNNXBMFYSA-N 1 3 330.480 2.775 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590686729 1093546635 /nfs/dbraw/zinc/54/66/35/1093546635.db2.gz ARVNVZMBNBAGAK-HNNXBMFYSA-N 1 3 330.480 2.775 20 0 EFADHO C[NH+](C)CCCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001591018400 1093651484 /nfs/dbraw/zinc/65/14/84/1093651484.db2.gz PDZXCFAXYJZRBB-UHFFFAOYSA-N 1 3 346.454 2.560 20 0 EFADHO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001591065135 1093658863 /nfs/dbraw/zinc/65/88/63/1093658863.db2.gz CXZWFWKPWKEQMZ-UHFFFAOYSA-N 1 3 346.454 2.704 20 0 EFADHO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001591065135 1093658867 /nfs/dbraw/zinc/65/88/67/1093658867.db2.gz CXZWFWKPWKEQMZ-UHFFFAOYSA-N 1 3 346.454 2.704 20 0 EFADHO C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001591065135 1093658871 /nfs/dbraw/zinc/65/88/71/1093658871.db2.gz CXZWFWKPWKEQMZ-UHFFFAOYSA-N 1 3 346.454 2.704 20 0 EFADHO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001591065135 1093658873 /nfs/dbraw/zinc/65/88/73/1093658873.db2.gz CXZWFWKPWKEQMZ-UHFFFAOYSA-N 1 3 346.454 2.704 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001592747658 1094184809 /nfs/dbraw/zinc/18/48/09/1094184809.db2.gz XSEIEBVIPKROCW-HBUWYVDXSA-N 1 3 340.475 2.599 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001592747658 1094184812 /nfs/dbraw/zinc/18/48/12/1094184812.db2.gz XSEIEBVIPKROCW-HBUWYVDXSA-N 1 3 340.475 2.599 20 0 EFADHO C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C[NH2+]CC2CC2)C1 ZINC001087248755 1094326258 /nfs/dbraw/zinc/32/62/58/1094326258.db2.gz QZRQPBXQSNXDBC-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211623774 1094397090 /nfs/dbraw/zinc/39/70/90/1094397090.db2.gz STTSUKOQRRQCOZ-IPMKNSEASA-N 1 3 331.504 2.711 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1)N(C)C ZINC001211623990 1094401134 /nfs/dbraw/zinc/40/11/34/1094401134.db2.gz YDRCOZPTNLZIAT-XUVXKRRUSA-N 1 3 345.531 2.957 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096368 1094469260 /nfs/dbraw/zinc/46/92/60/1094469260.db2.gz SPRKSFCRMCIVAV-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096368 1094469264 /nfs/dbraw/zinc/46/92/64/1094469264.db2.gz SPRKSFCRMCIVAV-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1)C1CCC1 ZINC001481096502 1094475475 /nfs/dbraw/zinc/47/54/75/1094475475.db2.gz VQTLJTFRQOJUCP-WMHRWZGDSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)C1CCC1 ZINC001481096502 1094475479 /nfs/dbraw/zinc/47/54/79/1094475479.db2.gz VQTLJTFRQOJUCP-WMHRWZGDSA-N 1 3 341.499 2.622 20 0 EFADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641338 1094513254 /nfs/dbraw/zinc/51/32/54/1094513254.db2.gz LUTIWPBNPORADP-KZNAEPCWSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C2)C1 ZINC001104680019 1094588219 /nfs/dbraw/zinc/58/82/19/1094588219.db2.gz OBNOHBSCDBCCGZ-RCCFBDPRSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccc3)C2)C1 ZINC001104678823 1094601010 /nfs/dbraw/zinc/60/10/10/1094601010.db2.gz CQNVOLXEQIYNPW-NLWGTHIKSA-N 1 3 343.515 2.603 20 0 EFADHO CCC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728842 1094763764 /nfs/dbraw/zinc/76/37/64/1094763764.db2.gz CPYCLTBCCVPRPN-MBZYTVFJSA-N 1 3 332.492 2.773 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001104728973 1094764088 /nfs/dbraw/zinc/76/40/88/1094764088.db2.gz KJLAISZOFVNTOT-SJLPKXTDSA-N 1 3 346.519 2.997 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001104728802 1094764809 /nfs/dbraw/zinc/76/48/09/1094764809.db2.gz AEMKGAOPYMJJRR-SJLPKXTDSA-N 1 3 344.503 2.917 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211690610 1094768668 /nfs/dbraw/zinc/76/86/68/1094768668.db2.gz GKWUXZZWUQEMSO-YZGWKJHDSA-N 1 3 345.531 2.959 20 0 EFADHO CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112530003 1094772019 /nfs/dbraw/zinc/77/20/19/1094772019.db2.gz YXCJLCMKKRJPNZ-CUWPLCDZSA-N 1 3 349.563 2.983 20 0 EFADHO CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112530004 1094772124 /nfs/dbraw/zinc/77/21/24/1094772124.db2.gz YXCJLCMKKRJPNZ-LMNJBCLMSA-N 1 3 349.563 2.983 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001480951720 1094820806 /nfs/dbraw/zinc/82/08/06/1094820806.db2.gz KVLXMKDYAADGOR-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001480951720 1094820826 /nfs/dbraw/zinc/82/08/26/1094820826.db2.gz KVLXMKDYAADGOR-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cc(F)ccc1C ZINC001481136963 1094932952 /nfs/dbraw/zinc/93/29/52/1094932952.db2.gz WZFAWZOSPKXUKM-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cc(F)ccc1C ZINC001481136963 1094932965 /nfs/dbraw/zinc/93/29/65/1094932965.db2.gz WZFAWZOSPKXUKM-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1ccc(C[N@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)cc1 ZINC001481186552 1095187444 /nfs/dbraw/zinc/18/74/44/1095187444.db2.gz UQWSRQFDFVSOHB-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)cc1 ZINC001481186552 1095187452 /nfs/dbraw/zinc/18/74/52/1095187452.db2.gz UQWSRQFDFVSOHB-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001268082607 1095224478 /nfs/dbraw/zinc/22/44/78/1095224478.db2.gz DUVWESOKUUUORT-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC000981954960 1095748227 /nfs/dbraw/zinc/74/82/27/1095748227.db2.gz KHTNKPJVOAXKAQ-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC000981954960 1095748239 /nfs/dbraw/zinc/74/82/39/1095748239.db2.gz KHTNKPJVOAXKAQ-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955684 1095752668 /nfs/dbraw/zinc/75/26/68/1095752668.db2.gz STCFSSODPIOQKG-IEBWSBKVSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000981955684 1095752677 /nfs/dbraw/zinc/75/26/77/1095752677.db2.gz STCFSSODPIOQKG-IEBWSBKVSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000981957618 1095772887 /nfs/dbraw/zinc/77/28/87/1095772887.db2.gz NODSUPREDAQGAD-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000981957618 1095772898 /nfs/dbraw/zinc/77/28/98/1095772898.db2.gz NODSUPREDAQGAD-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO NCc1nn(-c2ccc([C@@]34CC[NH2+][C@H]3COCC4)cc2)c2ccccc12 ZINC001167698107 1095997240 /nfs/dbraw/zinc/99/72/40/1095997240.db2.gz UFZJREMWEKFTPO-SFTDATJTSA-N 1 3 348.450 2.504 20 0 EFADHO CC[C@H](C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481644992 1096146105 /nfs/dbraw/zinc/14/61/05/1096146105.db2.gz FELWHTBRKACFKV-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCc1ccccc1)N(C)C ZINC001481055477 1096183897 /nfs/dbraw/zinc/18/38/97/1096183897.db2.gz GZMSFXODPGZMDK-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCc1ccccc1)N(C)C ZINC001481055477 1096183901 /nfs/dbraw/zinc/18/39/01/1096183901.db2.gz GZMSFXODPGZMDK-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2c1cccc2F ZINC001481055135 1096187424 /nfs/dbraw/zinc/18/74/24/1096187424.db2.gz ZVDYPYNLBGBQCD-HNAYVOBHSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001087438893 1096277896 /nfs/dbraw/zinc/27/78/96/1096277896.db2.gz VRSUCEOWZLZICV-WOJBJXKFSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481773131 1096684577 /nfs/dbraw/zinc/68/45/77/1096684577.db2.gz PBLAKZNEVDGJTA-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604055817 1096714348 /nfs/dbraw/zinc/71/43/48/1096714348.db2.gz ORIKPIJLUZDIJD-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604055817 1096714352 /nfs/dbraw/zinc/71/43/52/1096714352.db2.gz ORIKPIJLUZDIJD-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC001604285070 1096796095 /nfs/dbraw/zinc/79/60/95/1096796095.db2.gz KYTMKLIKEGLUIX-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC001604285070 1096796099 /nfs/dbraw/zinc/79/60/99/1096796099.db2.gz KYTMKLIKEGLUIX-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(C)cc1)C1CC1)N(C)C ZINC001481942464 1096975232 /nfs/dbraw/zinc/97/52/32/1096975232.db2.gz MUCYMTLSOYLBSM-AZUAARDMSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001482021367 1097100318 /nfs/dbraw/zinc/10/03/18/1097100318.db2.gz SOFDODUJUPECGC-IHRRRGAJSA-N 1 3 348.318 2.664 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001482058073 1097197580 /nfs/dbraw/zinc/19/75/80/1097197580.db2.gz GDDTWOGYOBGFQR-KURKYZTESA-N 1 3 325.541 2.835 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001482107603 1097268926 /nfs/dbraw/zinc/26/89/26/1097268926.db2.gz KDOGEUMXAASETJ-RDTXWAMCSA-N 1 3 347.478 2.639 20 0 EFADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001268589882 1097310133 /nfs/dbraw/zinc/31/01/33/1097310133.db2.gz ZLBBURJKAQNRIA-WWTANLFGSA-N 1 3 343.515 2.912 20 0 EFADHO [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001606439744 1097401772 /nfs/dbraw/zinc/40/17/72/1097401772.db2.gz FCIFAWMYUHTNSM-LJQANCHMSA-N 1 3 348.454 2.883 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609154347 1098172604 /nfs/dbraw/zinc/17/26/04/1098172604.db2.gz MMAABDQPHOSKFW-HZPDHXFCSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609154347 1098172605 /nfs/dbraw/zinc/17/26/05/1098172605.db2.gz MMAABDQPHOSKFW-HZPDHXFCSA-N 1 3 342.491 2.714 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001609215139 1098207198 /nfs/dbraw/zinc/20/71/98/1098207198.db2.gz SJUKJJCUNHBYPL-GOSISDBHSA-N 1 3 340.475 2.566 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001609215139 1098207203 /nfs/dbraw/zinc/20/72/03/1098207203.db2.gz SJUKJJCUNHBYPL-GOSISDBHSA-N 1 3 340.475 2.566 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609222848 1098211717 /nfs/dbraw/zinc/21/17/17/1098211717.db2.gz CJFFPTPUDDHPMN-ZDUSSCGKSA-N 1 3 334.443 2.606 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609222848 1098211725 /nfs/dbraw/zinc/21/17/25/1098211725.db2.gz CJFFPTPUDDHPMN-ZDUSSCGKSA-N 1 3 334.443 2.606 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C\Cl)CCCC1)CC(C)(C)C ZINC001482230084 1098231906 /nfs/dbraw/zinc/23/19/06/1098231906.db2.gz LTSGNDKIGKGECQ-YFHOEESVSA-N 1 3 329.916 2.735 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001104811522 1098652917 /nfs/dbraw/zinc/65/29/17/1098652917.db2.gz ABLXZWFVGXLFSF-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNc1cncc(OCCN2CCCC2)n1 ZINC001167751087 1098798373 /nfs/dbraw/zinc/79/83/73/1098798373.db2.gz HNQAINJRFLNFSQ-KRWDZBQOSA-N 1 3 347.507 2.628 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNc1cncc(OCCN2CCCC2)n1 ZINC001167751087 1098798381 /nfs/dbraw/zinc/79/83/81/1098798381.db2.gz HNQAINJRFLNFSQ-KRWDZBQOSA-N 1 3 347.507 2.628 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1)CC(C)(C)C ZINC001270263348 1098878924 /nfs/dbraw/zinc/87/89/24/1098878924.db2.gz LCMRNIYSWXOXMO-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1)N(C)C ZINC001267969706 1098982043 /nfs/dbraw/zinc/98/20/43/1098982043.db2.gz KTDJNPDARQGZIJ-MOPGFXCFSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001104938611 1099092672 /nfs/dbraw/zinc/09/26/72/1099092672.db2.gz XSXVGFIUZIBJHC-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)CN(C)C1CCC1 ZINC001482291971 1099139149 /nfs/dbraw/zinc/13/91/49/1099139149.db2.gz KBFYZPIZWNURNX-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)COCc1ccccc1 ZINC001167964748 1099153541 /nfs/dbraw/zinc/15/35/41/1099153541.db2.gz XLYJISGYHWTCHD-OTYNDTSQSA-N 1 3 344.499 2.559 20 0 EFADHO O[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)COCc1ccccc1 ZINC001167964748 1099153549 /nfs/dbraw/zinc/15/35/49/1099153549.db2.gz XLYJISGYHWTCHD-OTYNDTSQSA-N 1 3 344.499 2.559 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683971 1099278564 /nfs/dbraw/zinc/27/85/64/1099278564.db2.gz QVTLOJJNRKUXNH-ZWKOTPCHSA-N 1 3 337.508 2.994 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683971 1099278571 /nfs/dbraw/zinc/27/85/71/1099278571.db2.gz QVTLOJJNRKUXNH-ZWKOTPCHSA-N 1 3 337.508 2.994 20 0 EFADHO CC(C)NC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167974357 1099351735 /nfs/dbraw/zinc/35/17/35/1099351735.db2.gz XQNTUWHDZZOVLG-YQQQUEKLSA-N 1 3 348.535 2.564 20 0 EFADHO CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001481342243 1099382271 /nfs/dbraw/zinc/38/22/71/1099382271.db2.gz NIMUWDRPYWMJQX-MRXNPFEDSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001105064174 1099527202 /nfs/dbraw/zinc/52/72/02/1099527202.db2.gz ARIRXNZHZQLPPK-IEBWSBKVSA-N 1 3 331.504 2.601 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001105067262 1099542782 /nfs/dbraw/zinc/54/27/82/1099542782.db2.gz UHRMWQMIKQJQSY-GUDVDZBRSA-N 1 3 335.536 2.901 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676569 1099789402 /nfs/dbraw/zinc/78/94/02/1099789402.db2.gz NPVNLGVGYXTUQE-ZWKOTPCHSA-N 1 3 331.504 2.568 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001482357382 1099807704 /nfs/dbraw/zinc/80/77/04/1099807704.db2.gz ZIEDLPIMABUFIS-SWLSCSKDSA-N 1 3 345.940 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001075784906 1099851172 /nfs/dbraw/zinc/85/11/72/1099851172.db2.gz KVKAYXSTWBYSJR-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001075784906 1099851185 /nfs/dbraw/zinc/85/11/85/1099851185.db2.gz KVKAYXSTWBYSJR-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC001203437801 1099955946 /nfs/dbraw/zinc/95/59/46/1099955946.db2.gz SEZYNSXUVSBBHJ-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC001482435624 1100205958 /nfs/dbraw/zinc/20/59/58/1100205958.db2.gz RKNQXBHONNRAFW-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001271002905 1100354495 /nfs/dbraw/zinc/35/44/95/1100354495.db2.gz DUVWESOKUUUORT-MJGOQNOKSA-N 1 3 333.520 2.560 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014069 1100415556 /nfs/dbraw/zinc/41/55/56/1100415556.db2.gz JKHXXAINJCKRNF-SMTGMISWSA-N 1 3 330.472 2.969 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014069 1100415561 /nfs/dbraw/zinc/41/55/61/1100415561.db2.gz JKHXXAINJCKRNF-SMTGMISWSA-N 1 3 330.472 2.969 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCN1Cc1ccsc1 ZINC001087578896 1100550780 /nfs/dbraw/zinc/55/07/80/1100550780.db2.gz VWIFOCRLUSRDNG-WNRNVDISSA-N 1 3 349.544 2.948 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCN1Cc1ccsc1 ZINC001087578896 1100550787 /nfs/dbraw/zinc/55/07/87/1100550787.db2.gz VWIFOCRLUSRDNG-WNRNVDISSA-N 1 3 349.544 2.948 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395641 1100556321 /nfs/dbraw/zinc/55/63/21/1100556321.db2.gz BXVOPRSBYLRGPN-FQEVSTJZSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395641 1100556328 /nfs/dbraw/zinc/55/63/28/1100556328.db2.gz BXVOPRSBYLRGPN-FQEVSTJZSA-N 1 3 347.547 2.830 20 0 EFADHO Cn1ncc2c1CCC[C@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000048711659 1100596423 /nfs/dbraw/zinc/59/64/23/1100596423.db2.gz SSNPSHPWWXWQQE-GOSISDBHSA-N 1 3 328.460 2.528 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168018307 1100597681 /nfs/dbraw/zinc/59/76/81/1100597681.db2.gz CPRDGXONUXJPBF-WOUAJJJCSA-N 1 3 329.488 2.638 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168018307 1100597686 /nfs/dbraw/zinc/59/76/86/1100597686.db2.gz CPRDGXONUXJPBF-WOUAJJJCSA-N 1 3 329.488 2.638 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNCc2ccc(C(N)=O)cc2)c1 ZINC000048745512 1100600439 /nfs/dbraw/zinc/60/04/39/1100600439.db2.gz MGUNAQFVYXIGGX-UHFFFAOYSA-N 1 3 325.456 2.917 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@@H+]1CCC1CC1 ZINC001087636249 1100617910 /nfs/dbraw/zinc/61/79/10/1100617910.db2.gz HRBNFVGQWHYORC-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@H+]1CCC1CC1 ZINC001087636249 1100617915 /nfs/dbraw/zinc/61/79/15/1100617915.db2.gz HRBNFVGQWHYORC-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CC(C)C1 ZINC001087640598 1100625933 /nfs/dbraw/zinc/62/59/33/1100625933.db2.gz MBDHWZYBLSXEQD-ZGUYJTEBSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CC(C)C1 ZINC001087640598 1100625937 /nfs/dbraw/zinc/62/59/37/1100625937.db2.gz MBDHWZYBLSXEQD-ZGUYJTEBSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001087671494 1100651741 /nfs/dbraw/zinc/65/17/41/1100651741.db2.gz DVUGTBMLHHEOPA-OTWHNJEPSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCC1 ZINC001087671494 1100651747 /nfs/dbraw/zinc/65/17/47/1100651747.db2.gz DVUGTBMLHHEOPA-OTWHNJEPSA-N 1 3 333.520 2.630 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723728 1100701199 /nfs/dbraw/zinc/70/11/99/1100701199.db2.gz AOTMSRAIEPOTLO-FRQCXROJSA-N 1 3 341.515 2.968 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087723728 1100701202 /nfs/dbraw/zinc/70/12/02/1100701202.db2.gz AOTMSRAIEPOTLO-FRQCXROJSA-N 1 3 341.515 2.968 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1csc(C)c1 ZINC001087797057 1100781107 /nfs/dbraw/zinc/78/11/07/1100781107.db2.gz WCTBKAUSGDTSSQ-RYQLBKOJSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1csc(C)c1 ZINC001087797057 1100781112 /nfs/dbraw/zinc/78/11/12/1100781112.db2.gz WCTBKAUSGDTSSQ-RYQLBKOJSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC001087839691 1100853834 /nfs/dbraw/zinc/85/38/34/1100853834.db2.gz OZIYHHARTQLTSM-ZWKOTPCHSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC001087839691 1100853841 /nfs/dbraw/zinc/85/38/41/1100853841.db2.gz OZIYHHARTQLTSM-ZWKOTPCHSA-N 1 3 335.467 2.691 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001203443234 1100954580 /nfs/dbraw/zinc/95/45/80/1100954580.db2.gz RFIXSZIMXFEJHS-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC001203443319 1100976695 /nfs/dbraw/zinc/97/66/95/1100976695.db2.gz RTHLSFDGWARIJY-UHFFFAOYSA-N 1 3 337.533 2.787 20 0 EFADHO C[C@@H]1CC(N2CCC(NC(N)=O)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039660 1101084293 /nfs/dbraw/zinc/08/42/93/1101084293.db2.gz GVXUHJRSMFUKQY-HZPDHXFCSA-N 1 3 344.503 2.561 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)CCC1 ZINC001087992898 1101167345 /nfs/dbraw/zinc/16/73/45/1101167345.db2.gz QYCYEHIHGYWKQE-MSOLQXFVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)CCC1 ZINC001087992898 1101167347 /nfs/dbraw/zinc/16/73/47/1101167347.db2.gz QYCYEHIHGYWKQE-MSOLQXFVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994981 1101169225 /nfs/dbraw/zinc/16/92/25/1101169225.db2.gz MVBSWMFSNCLZGF-MSOLQXFVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CCC1 ZINC001087994981 1101169233 /nfs/dbraw/zinc/16/92/33/1101169233.db2.gz MVBSWMFSNCLZGF-MSOLQXFVSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088011188 1101189914 /nfs/dbraw/zinc/18/99/14/1101189914.db2.gz BWRAOCVZRUERCQ-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088011188 1101189920 /nfs/dbraw/zinc/18/99/20/1101189920.db2.gz BWRAOCVZRUERCQ-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088011297 1101191249 /nfs/dbraw/zinc/19/12/49/1101191249.db2.gz HKTBRGPTZSQYGP-FGTMMUONSA-N 1 3 349.544 2.677 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088011297 1101191254 /nfs/dbraw/zinc/19/12/54/1101191254.db2.gz HKTBRGPTZSQYGP-FGTMMUONSA-N 1 3 349.544 2.677 20 0 EFADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214171 1101289565 /nfs/dbraw/zinc/28/95/65/1101289565.db2.gz NXGYINXIHCIYIG-YLJYHZDGSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214171 1101289569 /nfs/dbraw/zinc/28/95/69/1101289569.db2.gz NXGYINXIHCIYIG-YLJYHZDGSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167385869 1101393958 /nfs/dbraw/zinc/39/39/58/1101393958.db2.gz WNBLIJOGFXXQLU-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001167385868 1101394211 /nfs/dbraw/zinc/39/42/11/1101394211.db2.gz WNBLIJOGFXXQLU-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC3(CC2)CC(=O)Nc2ccccc23)C1 ZINC001208606247 1101400501 /nfs/dbraw/zinc/40/05/01/1101400501.db2.gz DNDZCLJPASGXJT-INIZCTEOSA-N 1 3 327.472 2.704 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC3(CC2)CC(=O)Nc2ccccc23)C1 ZINC001208606247 1101400508 /nfs/dbraw/zinc/40/05/08/1101400508.db2.gz DNDZCLJPASGXJT-INIZCTEOSA-N 1 3 327.472 2.704 20 0 EFADHO OCc1ccccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067247552 1101508156 /nfs/dbraw/zinc/50/81/56/1101508156.db2.gz ZKJUWSKGNRXRLO-UHFFFAOYSA-N 1 3 340.467 2.943 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000067671578 1101550526 /nfs/dbraw/zinc/55/05/26/1101550526.db2.gz NKPBDEAUUUWXNQ-KRWDZBQOSA-N 1 3 349.519 2.598 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000067671771 1101553241 /nfs/dbraw/zinc/55/32/41/1101553241.db2.gz JREXQLWQWMFKTJ-CQSZACIVSA-N 1 3 345.409 2.701 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000067671685 1101553382 /nfs/dbraw/zinc/55/33/82/1101553382.db2.gz FUGNBLBNRVUVOB-CQSZACIVSA-N 1 3 329.410 2.821 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106264 1101554809 /nfs/dbraw/zinc/55/48/09/1101554809.db2.gz SJIAIVHWODIWJL-SXLOBPIMSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106264 1101554825 /nfs/dbraw/zinc/55/48/25/1101554825.db2.gz SJIAIVHWODIWJL-SXLOBPIMSA-N 1 3 345.531 2.609 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106404 1101555713 /nfs/dbraw/zinc/55/57/13/1101555713.db2.gz YSIURZCHIAQRLJ-QRQLOZEOSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106404 1101555723 /nfs/dbraw/zinc/55/57/23/1101555723.db2.gz YSIURZCHIAQRLJ-QRQLOZEOSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109372 1101565056 /nfs/dbraw/zinc/56/50/56/1101565056.db2.gz BAVHWSNAQVNNOL-AABGKKOBSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109372 1101565066 /nfs/dbraw/zinc/56/50/66/1101565066.db2.gz BAVHWSNAQVNNOL-AABGKKOBSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088109617 1101566244 /nfs/dbraw/zinc/56/62/44/1101566244.db2.gz ONAHPUXMTPCIBX-SQNIBIBYSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088109617 1101566253 /nfs/dbraw/zinc/56/62/53/1101566253.db2.gz ONAHPUXMTPCIBX-SQNIBIBYSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001087134683 1101609517 /nfs/dbraw/zinc/60/95/17/1101609517.db2.gz BHJSZTLJYUEZKY-AYBZRNKSSA-N 1 3 347.478 2.637 20 0 EFADHO COc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000069711456 1101729711 /nfs/dbraw/zinc/72/97/11/1101729711.db2.gz DZRMEZMOLCHLGI-UHFFFAOYSA-N 1 3 344.455 2.934 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CCCF)CC[C@@H]3C2)c1 ZINC001088210344 1101877896 /nfs/dbraw/zinc/87/78/96/1101877896.db2.gz HYAOOTSRNBFVBM-MOPGFXCFSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CCCF)CC[C@@H]3C2)c1 ZINC001088210344 1101877911 /nfs/dbraw/zinc/87/79/11/1101877911.db2.gz HYAOOTSRNBFVBM-MOPGFXCFSA-N 1 3 347.478 2.502 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N(C)C ZINC001346224205 1101894407 /nfs/dbraw/zinc/89/44/07/1101894407.db2.gz GGYSGEOENDMZLM-YGRLFVJLSA-N 1 3 333.245 2.551 20 0 EFADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCc2cccc(Cl)c2F)C1 ZINC001209446562 1101905173 /nfs/dbraw/zinc/90/51/73/1101905173.db2.gz SSLRAXDPPBNTOF-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001075367154 1101982223 /nfs/dbraw/zinc/98/22/23/1101982223.db2.gz NOZMCWRCAKTBPB-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001271521481 1102060454 /nfs/dbraw/zinc/06/04/54/1102060454.db2.gz VQWQYLYPCVWKLX-CADBVGFASA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001271521481 1102060465 /nfs/dbraw/zinc/06/04/65/1102060465.db2.gz VQWQYLYPCVWKLX-CADBVGFASA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001271537928 1102083850 /nfs/dbraw/zinc/08/38/50/1102083850.db2.gz MMOCFXFIFJYABE-UHFFFAOYSA-N 1 3 346.519 2.561 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001271537928 1102083864 /nfs/dbraw/zinc/08/38/64/1102083864.db2.gz MMOCFXFIFJYABE-UHFFFAOYSA-N 1 3 346.519 2.561 20 0 EFADHO C[C@@H]1CC([N@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168065989 1102085279 /nfs/dbraw/zinc/08/52/79/1102085279.db2.gz ZUZBWVYJMOHGRU-LFGUQSLTSA-N 1 3 327.516 2.921 20 0 EFADHO C[C@@H]1CC([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168065989 1102085292 /nfs/dbraw/zinc/08/52/92/1102085292.db2.gz ZUZBWVYJMOHGRU-LFGUQSLTSA-N 1 3 327.516 2.921 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001167232608 1102099512 /nfs/dbraw/zinc/09/95/12/1102099512.db2.gz JWXWLQJZDOAJCQ-SFHVURJKSA-N 1 3 343.515 2.713 20 0 EFADHO CCCC[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232524 1102099542 /nfs/dbraw/zinc/09/95/42/1102099542.db2.gz FXKXICLKNGAJDL-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)C[NH2+]CC1(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232896 1102100764 /nfs/dbraw/zinc/10/07/64/1102100764.db2.gz TXRQLOKIGQAHPZ-IBGZPJMESA-N 1 3 341.515 2.731 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232759 1102100981 /nfs/dbraw/zinc/10/09/81/1102100981.db2.gz PHSDIINKOMIHGA-ROUUACIJSA-N 1 3 337.552 2.887 20 0 EFADHO CCC/C=C/CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232981 1102101039 /nfs/dbraw/zinc/10/10/39/1102101039.db2.gz XDQUBRBAAYJCPO-DUMMIQTOSA-N 1 3 335.536 2.951 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001167261115 1102187834 /nfs/dbraw/zinc/18/78/34/1102187834.db2.gz WNTXEWNHWBPSGF-CABCVRRESA-N 1 3 345.478 2.638 20 0 EFADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362729 1102212134 /nfs/dbraw/zinc/21/21/34/1102212134.db2.gz GPLHHNPOUMZENG-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@H](C)F)C1 ZINC001104362947 1102214957 /nfs/dbraw/zinc/21/49/57/1102214957.db2.gz RENHVUSYYYYCQP-OWCLPIDISA-N 1 3 329.504 2.539 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)CC(C)(C)C ZINC001203425558 1102283163 /nfs/dbraw/zinc/28/31/63/1102283163.db2.gz CPMQLZXWLYHYKN-SJORKVTESA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC000072905881 1102364666 /nfs/dbraw/zinc/36/46/66/1102364666.db2.gz GALYWKHCXYWBTK-UHFFFAOYSA-N 1 3 343.515 2.905 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1 ZINC001087165596 1102364903 /nfs/dbraw/zinc/36/49/03/1102364903.db2.gz DAOJIJRMDUSARI-NZSAHSFTSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425831 1102484071 /nfs/dbraw/zinc/48/40/71/1102484071.db2.gz DQBVAGULRNLOTI-IAGOWNOFSA-N 1 3 335.536 2.948 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287746 1102586356 /nfs/dbraw/zinc/58/63/56/1102586356.db2.gz KJCHFTOQRVQUCN-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104291788 1102859703 /nfs/dbraw/zinc/85/97/03/1102859703.db2.gz VHQKSRPCNKYCDF-NSISKUIASA-N 1 3 343.515 2.601 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104292027 1102859723 /nfs/dbraw/zinc/85/97/23/1102859723.db2.gz GMVXDCFHXVVCKM-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H](NCc2ccccn2)C1)[NH+](C)C ZINC001088330554 1102946763 /nfs/dbraw/zinc/94/67/63/1102946763.db2.gz CCSNCMPOCSQTQS-OALUTQOASA-N 1 3 346.519 2.529 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001409763973 1103078278 /nfs/dbraw/zinc/07/82/78/1103078278.db2.gz TZBSANKKEKXFPQ-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001409763973 1103078293 /nfs/dbraw/zinc/07/82/93/1103078293.db2.gz TZBSANKKEKXFPQ-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)CC1 ZINC001409458960 1103123024 /nfs/dbraw/zinc/12/30/24/1103123024.db2.gz USKIOGXJOLEURX-KMKOMSMNSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001483263493 1103183056 /nfs/dbraw/zinc/18/30/56/1103183056.db2.gz VOSSUSZMNORZLJ-TWOQFEAHSA-N 1 3 345.531 2.917 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381160 1103320861 /nfs/dbraw/zinc/32/08/61/1103320861.db2.gz YFVMQCARCUMREB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381916 1103338645 /nfs/dbraw/zinc/33/86/45/1103338645.db2.gz PUJZDVFOUNCJND-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ncccc2C)C1)N(C)C ZINC001088383592 1103349396 /nfs/dbraw/zinc/34/93/96/1103349396.db2.gz ICKXXBLXYQMMNU-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001088383523 1103349444 /nfs/dbraw/zinc/34/94/44/1103349444.db2.gz GAWUZBBNCGQVLX-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ncccc2C)C1)N(C)C ZINC001088383591 1103350801 /nfs/dbraw/zinc/35/08/01/1103350801.db2.gz ICKXXBLXYQMMNU-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001088390117 1103378327 /nfs/dbraw/zinc/37/83/27/1103378327.db2.gz FLEQZLAKTIGOJB-GOSISDBHSA-N 1 3 340.471 2.556 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001088390706 1103382593 /nfs/dbraw/zinc/38/25/93/1103382593.db2.gz TZGWCWSWPSYXKY-QGZVFWFLSA-N 1 3 326.444 2.513 20 0 EFADHO COc1ccc(CCN(C[C@@H](C)O)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168373352 1103398945 /nfs/dbraw/zinc/39/89/45/1103398945.db2.gz PJRDLFUVETVMSF-QGZVFWFLSA-N 1 3 346.515 2.795 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088411661 1103488028 /nfs/dbraw/zinc/48/80/28/1103488028.db2.gz MVSNUYAYBWNNGU-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088411661 1103488040 /nfs/dbraw/zinc/48/80/40/1103488040.db2.gz MVSNUYAYBWNNGU-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)c1 ZINC001088429857 1103579413 /nfs/dbraw/zinc/57/94/13/1103579413.db2.gz BDIYTXDMXGVESJ-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@H](NCCF)C1)[NH+]1CCCCC1 ZINC001088431372 1103589036 /nfs/dbraw/zinc/58/90/36/1103589036.db2.gz RPOQLZWXQCMVMP-ZWKOTPCHSA-N 1 3 341.515 2.827 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001483410680 1103634184 /nfs/dbraw/zinc/63/41/84/1103634184.db2.gz ZNXFHJHQLDJEBG-DYVFJYSZSA-N 1 3 339.549 2.888 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000905985371 1103793187 /nfs/dbraw/zinc/79/31/87/1103793187.db2.gz UBCRWXDPWDFDPH-BZUAXINKSA-N 1 3 333.476 2.819 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cc(F)ccc1F)N(C)C ZINC001483504394 1103856695 /nfs/dbraw/zinc/85/66/95/1103856695.db2.gz PRJHUGDBMDAUBQ-CXAGYDPISA-N 1 3 341.446 2.804 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001483235446 1103866225 /nfs/dbraw/zinc/86/62/25/1103866225.db2.gz QJXRUDOKYJJDLG-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000906091874 1103893103 /nfs/dbraw/zinc/89/31/03/1103893103.db2.gz ZSRGZPDCRPORPL-QXAKKESOSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000906091874 1103893113 /nfs/dbraw/zinc/89/31/13/1103893113.db2.gz ZSRGZPDCRPORPL-QXAKKESOSA-N 1 3 331.504 2.777 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105428777 1103942417 /nfs/dbraw/zinc/94/24/17/1103942417.db2.gz CLXCBCMYIMPEQE-GGPKGHCWSA-N 1 3 331.504 2.543 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001127066050 1103956941 /nfs/dbraw/zinc/95/69/41/1103956941.db2.gz IIDBWXWMDGRHLO-IBGZPJMESA-N 1 3 331.504 2.588 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CCCCCC2)C2CC2)CCC1 ZINC001483565082 1103958321 /nfs/dbraw/zinc/95/83/21/1103958321.db2.gz BAMGXOVSUKMDHO-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@@](C[NH2+]C(C)C)(c2ccccc2)C1 ZINC001105429080 1103988015 /nfs/dbraw/zinc/98/80/15/1103988015.db2.gz LVQIJLBBJVAQQA-RVWIWJKTSA-N 1 3 345.531 2.931 20 0 EFADHO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](CC)N(C)C)C1 ZINC001105429424 1103994303 /nfs/dbraw/zinc/99/43/03/1103994303.db2.gz ZVHQOGDDYNHAQO-SBHAEUEKSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001483583099 1104006092 /nfs/dbraw/zinc/00/60/92/1104006092.db2.gz IWEUGKSSWKFBRA-RDTXWAMCSA-N 1 3 347.478 2.713 20 0 EFADHO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105439106 1104100315 /nfs/dbraw/zinc/10/03/15/1104100315.db2.gz ZVHQOGDDYNHAQO-IRFCIJBXSA-N 1 3 345.531 2.933 20 0 EFADHO c1ccc(C[N@@H+]2C[C@H](c3nc(-c4ccccc4)no3)C3(CNC3)C2)cc1 ZINC001211912332 1104194282 /nfs/dbraw/zinc/19/42/82/1104194282.db2.gz ZLEHFONIIDTVLI-GOSISDBHSA-N 1 3 346.434 2.926 20 0 EFADHO c1ccc(C[N@H+]2C[C@H](c3nc(-c4ccccc4)no3)C3(CNC3)C2)cc1 ZINC001211912332 1104194287 /nfs/dbraw/zinc/19/42/87/1104194287.db2.gz ZLEHFONIIDTVLI-GOSISDBHSA-N 1 3 346.434 2.926 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001105447374 1104214378 /nfs/dbraw/zinc/21/43/78/1104214378.db2.gz DKAWCKBTMZYADM-MEZWHVQBSA-N 1 3 343.515 2.685 20 0 EFADHO CN(CC(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1)C1CCC1 ZINC001101547725 1104229325 /nfs/dbraw/zinc/22/93/25/1104229325.db2.gz NKWFWDPZCUENNA-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001409561520 1104236225 /nfs/dbraw/zinc/23/62/25/1104236225.db2.gz HZESOKLHLWLNRQ-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001409561520 1104236230 /nfs/dbraw/zinc/23/62/30/1104236230.db2.gz HZESOKLHLWLNRQ-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCc1ccccc1 ZINC001409576024 1104316338 /nfs/dbraw/zinc/31/63/38/1104316338.db2.gz NHWOBJSBDDETPK-SFHVURJKSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCc1ccccc1 ZINC001409576024 1104316349 /nfs/dbraw/zinc/31/63/49/1104316349.db2.gz NHWOBJSBDDETPK-SFHVURJKSA-N 1 3 345.531 2.930 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000906673666 1104422834 /nfs/dbraw/zinc/42/28/34/1104422834.db2.gz OJWUVNRHKMYVNW-KRWDZBQOSA-N 1 3 347.503 2.824 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000906673666 1104422839 /nfs/dbraw/zinc/42/28/39/1104422839.db2.gz OJWUVNRHKMYVNW-KRWDZBQOSA-N 1 3 347.503 2.824 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001409609381 1104495357 /nfs/dbraw/zinc/49/53/57/1104495357.db2.gz CTWFWRZEMLICQO-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001409609381 1104495362 /nfs/dbraw/zinc/49/53/62/1104495362.db2.gz CTWFWRZEMLICQO-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO CC(C)=CC[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001101595775 1104513788 /nfs/dbraw/zinc/51/37/88/1104513788.db2.gz SAITVYOKVAQGSW-UHFFFAOYSA-N 1 3 335.536 2.903 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC001409834107 1104519818 /nfs/dbraw/zinc/51/98/18/1104519818.db2.gz USXYULYCKNBAMY-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C/C=C\c1ccccc1 ZINC001409641913 1104586653 /nfs/dbraw/zinc/58/66/53/1104586653.db2.gz RWGVWXRDRISSSA-IEODJVTJSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CCc1cccs1)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001482650372 1104733317 /nfs/dbraw/zinc/73/33/17/1104733317.db2.gz SMZHOSSEBYDINH-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000081358639 1104795346 /nfs/dbraw/zinc/79/53/46/1104795346.db2.gz BKYUPWDGBVFLTB-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001482676993 1104861844 /nfs/dbraw/zinc/86/18/44/1104861844.db2.gz FQDCFNNMUAUCIJ-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001482691737 1104936578 /nfs/dbraw/zinc/93/65/78/1104936578.db2.gz DPQPBNCYMDNJPN-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001482691737 1104936583 /nfs/dbraw/zinc/93/65/83/1104936583.db2.gz DPQPBNCYMDNJPN-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482697455 1104953980 /nfs/dbraw/zinc/95/39/80/1104953980.db2.gz ZOPNNOHRJHGHTL-WMZOPIPTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001482914908 1105177218 /nfs/dbraw/zinc/17/72/18/1105177218.db2.gz WSCAHYNZAWIZCP-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001482930910 1105189500 /nfs/dbraw/zinc/18/95/00/1105189500.db2.gz JEHMMGHYSNUNJR-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)N(C)C ZINC001030019304 1105212516 /nfs/dbraw/zinc/21/25/16/1105212516.db2.gz KXLZGTWAVZIMGB-JYJNAYRXSA-N 1 3 345.478 2.589 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950572 1105247259 /nfs/dbraw/zinc/24/72/59/1105247259.db2.gz XFTKATHCQBVMDY-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950572 1105247265 /nfs/dbraw/zinc/24/72/65/1105247265.db2.gz XFTKATHCQBVMDY-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000988956327 1105400429 /nfs/dbraw/zinc/40/04/29/1105400429.db2.gz PTCHEEIORVJZHD-GUYCJALGSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956353 1105400465 /nfs/dbraw/zinc/40/04/65/1105400465.db2.gz PWEUQPIUJBZTEC-WMZOPIPTSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988964236 1105408209 /nfs/dbraw/zinc/40/82/09/1105408209.db2.gz AIYNMNUUTULJGY-WMZOPIPTSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964827 1105409153 /nfs/dbraw/zinc/40/91/53/1105409153.db2.gz FMHYCLHQTNLMLL-MAUKXSAKSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988967816 1105411612 /nfs/dbraw/zinc/41/16/12/1105411612.db2.gz PUSSCKBUFVAYQO-PBHICJAKSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988971086 1105413378 /nfs/dbraw/zinc/41/33/78/1105413378.db2.gz ZDVQYCZMSINXPY-HKUYNNGSSA-N 1 3 343.515 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001030019460 1105505043 /nfs/dbraw/zinc/50/50/43/1105505043.db2.gz IJNHFDIOVFGZNQ-HRCADAONSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)n1cc([C@H](C)NCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000925299737 1105554801 /nfs/dbraw/zinc/55/48/01/1105554801.db2.gz FDTNKZZMHXLPPJ-HNNXBMFYSA-N 1 3 328.464 2.821 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1)N(C)C ZINC001030019511 1105568032 /nfs/dbraw/zinc/56/80/32/1105568032.db2.gz GEUPSBNINFWMFO-VDZJLULYSA-N 1 3 347.503 2.677 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCF)CCC1)C1CCC1 ZINC001105541446 1105899198 /nfs/dbraw/zinc/89/91/98/1105899198.db2.gz AGEXFQBZWIUXHM-KRWDZBQOSA-N 1 3 339.499 2.581 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1)N(C)C ZINC001105544131 1105903243 /nfs/dbraw/zinc/90/32/43/1105903243.db2.gz BNUFSGMSEHVDPN-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449170 1106182296 /nfs/dbraw/zinc/18/22/96/1106182296.db2.gz DNWMJGGOCNOTTQ-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449170 1106182302 /nfs/dbraw/zinc/18/23/02/1106182302.db2.gz DNWMJGGOCNOTTQ-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451636 1106213285 /nfs/dbraw/zinc/21/32/85/1106213285.db2.gz UVNAUGJTNNRNPV-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451848 1106215433 /nfs/dbraw/zinc/21/54/33/1106215433.db2.gz WGAKHWWKVVXMMG-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000989452520 1106229821 /nfs/dbraw/zinc/22/98/21/1106229821.db2.gz ZQYVXYGUEMEGRR-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989473604 1106342193 /nfs/dbraw/zinc/34/21/93/1106342193.db2.gz BOHRRSNPUPBTIU-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989473604 1106342197 /nfs/dbraw/zinc/34/21/97/1106342197.db2.gz BOHRRSNPUPBTIU-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989474029 1106350141 /nfs/dbraw/zinc/35/01/41/1106350141.db2.gz FEUYMLKGTUUDSF-GOSISDBHSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989474029 1106350146 /nfs/dbraw/zinc/35/01/46/1106350146.db2.gz FEUYMLKGTUUDSF-GOSISDBHSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cc1C ZINC000989481580 1106358750 /nfs/dbraw/zinc/35/87/50/1106358750.db2.gz YJFYVMGBCUYNGJ-FQEVSTJZSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cc1C ZINC000989481580 1106358755 /nfs/dbraw/zinc/35/87/55/1106358755.db2.gz YJFYVMGBCUYNGJ-FQEVSTJZSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989483195 1106360485 /nfs/dbraw/zinc/36/04/85/1106360485.db2.gz PAIXGSKAIZGDSZ-QZTJIDSGSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989483195 1106360489 /nfs/dbraw/zinc/36/04/89/1106360489.db2.gz PAIXGSKAIZGDSZ-QZTJIDSGSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000989488851 1106371344 /nfs/dbraw/zinc/37/13/44/1106371344.db2.gz UTMHXMUPPNYKJD-FUHWJXTLSA-N 1 3 340.471 2.657 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606887 1106482981 /nfs/dbraw/zinc/48/29/81/1106482981.db2.gz WLSGOWCXUZNGON-RDJZCZTQSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCc3ccsc3)C[C@@H]2C)CC1 ZINC000989634862 1106497871 /nfs/dbraw/zinc/49/78/71/1106497871.db2.gz JEOMIFVYJXVGHH-MAUKXSAKSA-N 1 3 349.544 2.948 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)c1 ZINC000989661584 1106523073 /nfs/dbraw/zinc/52/30/73/1106523073.db2.gz JLHUDRIJVMFOSL-IBGZPJMESA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC000989661584 1106523079 /nfs/dbraw/zinc/52/30/79/1106523079.db2.gz JLHUDRIJVMFOSL-IBGZPJMESA-N 1 3 343.515 2.598 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000989663026 1106524386 /nfs/dbraw/zinc/52/43/86/1106524386.db2.gz ZAVBDVZCVDGHEW-ROUUACIJSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989663026 1106524387 /nfs/dbraw/zinc/52/43/87/1106524387.db2.gz ZAVBDVZCVDGHEW-ROUUACIJSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989663025 1106524707 /nfs/dbraw/zinc/52/47/07/1106524707.db2.gz ZAVBDVZCVDGHEW-QZTJIDSGSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989663025 1106524711 /nfs/dbraw/zinc/52/47/11/1106524711.db2.gz ZAVBDVZCVDGHEW-QZTJIDSGSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728711 1106602439 /nfs/dbraw/zinc/60/24/39/1106602439.db2.gz SJPQZFGSUAMPSX-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728711 1106602442 /nfs/dbraw/zinc/60/24/42/1106602442.db2.gz SJPQZFGSUAMPSX-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CN(C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168315503 1106623507 /nfs/dbraw/zinc/62/35/07/1106623507.db2.gz WWJISDDWQHCYKW-FHERZECASA-N 1 3 325.497 2.800 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798532 1106669358 /nfs/dbraw/zinc/66/93/58/1106669358.db2.gz AZPVNLCKRAILEX-CRAIPNDOSA-N 1 3 349.906 2.557 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799599 1106670119 /nfs/dbraw/zinc/67/01/19/1106670119.db2.gz NIQHJDNQDUPHMS-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799603 1106670193 /nfs/dbraw/zinc/67/01/93/1106670193.db2.gz NIQHJDNQDUPHMS-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CN1C(=O)CN1CCCC1 ZINC000989798713 1106670236 /nfs/dbraw/zinc/67/02/36/1106670236.db2.gz DQIPRELRTKRRHX-LPHOPBHVSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799463 1106670278 /nfs/dbraw/zinc/67/02/78/1106670278.db2.gz MFDHZSZEDZKUFN-PXNSSMCTSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000989798537 1106670285 /nfs/dbraw/zinc/67/02/85/1106670285.db2.gz AZTRQZRLNNAEHG-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+](C)C1CCC(N2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001168319469 1106677748 /nfs/dbraw/zinc/67/77/48/1106677748.db2.gz UJSZCZMXQQICLG-SJJHQCBESA-N 1 3 337.508 2.943 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860612 1106749445 /nfs/dbraw/zinc/74/94/45/1106749445.db2.gz UBEPZRNWHMQIQI-GJYPPUQNSA-N 1 3 341.515 2.824 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860612 1106749463 /nfs/dbraw/zinc/74/94/63/1106749463.db2.gz UBEPZRNWHMQIQI-GJYPPUQNSA-N 1 3 341.515 2.824 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419711 1106943447 /nfs/dbraw/zinc/94/34/47/1106943447.db2.gz DHRNREAUKJNDDO-FQEVSTJZSA-N 1 3 333.495 2.642 20 0 EFADHO CON1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000323239398 1107144191 /nfs/dbraw/zinc/14/41/91/1107144191.db2.gz DCIGTSUELIJTIE-IBGZPJMESA-N 1 3 331.504 2.904 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001088981011 1107197242 /nfs/dbraw/zinc/19/72/42/1107197242.db2.gz YZWZWOAYXCAALQ-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001088981011 1107197251 /nfs/dbraw/zinc/19/72/51/1107197251.db2.gz YZWZWOAYXCAALQ-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058693 1107375343 /nfs/dbraw/zinc/37/53/43/1107375343.db2.gz DQDFIXHNWXJFAO-RKVPGOIHSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058693 1107375355 /nfs/dbraw/zinc/37/53/55/1107375355.db2.gz DQDFIXHNWXJFAO-RKVPGOIHSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CC1=CCCCC1 ZINC001088702865 1107421139 /nfs/dbraw/zinc/42/11/39/1107421139.db2.gz NUGCURRMUHSJLH-AEFFLSMTSA-N 1 3 331.504 2.694 20 0 EFADHO COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001483227456 1107424350 /nfs/dbraw/zinc/42/43/50/1107424350.db2.gz HGTNUYJXXFWRPF-INIZCTEOSA-N 1 3 347.503 2.554 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000990245852 1107554323 /nfs/dbraw/zinc/55/43/23/1107554323.db2.gz ZJNIRGIZRZDNDU-SFHVURJKSA-N 1 3 341.455 2.608 20 0 EFADHO COCCCN(CCc1ccc(OC)cc1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904322192 1107815975 /nfs/dbraw/zinc/81/59/75/1107815975.db2.gz RDMBJJNNLJCOCI-FQEVSTJZSA-N 1 3 334.504 2.966 20 0 EFADHO COCCC[N@H+](CCc1ccc(OC)cc1)C[C@@]1(C)CCCNC1 ZINC000904322192 1107815987 /nfs/dbraw/zinc/81/59/87/1107815987.db2.gz RDMBJJNNLJCOCI-FQEVSTJZSA-N 1 3 334.504 2.966 20 0 EFADHO COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@@]1(C)CCCNC1 ZINC000904322192 1107816000 /nfs/dbraw/zinc/81/60/00/1107816000.db2.gz RDMBJJNNLJCOCI-FQEVSTJZSA-N 1 3 334.504 2.966 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001089192411 1107903869 /nfs/dbraw/zinc/90/38/69/1107903869.db2.gz VKHQIEKZGPAMDO-RBUKOAKNSA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001089192411 1107903873 /nfs/dbraw/zinc/90/38/73/1107903873.db2.gz VKHQIEKZGPAMDO-RBUKOAKNSA-N 1 3 349.494 2.979 20 0 EFADHO CCc1noc([C@@H]2CC[C@@H]([NH2+]Cc3cc4c(s3)CCNC4)C2)n1 ZINC000904427941 1107922878 /nfs/dbraw/zinc/92/28/78/1107922878.db2.gz BAGJLHUVXFXNQC-DGCLKSJQSA-N 1 3 332.473 2.765 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000904468428 1107958710 /nfs/dbraw/zinc/95/87/10/1107958710.db2.gz CKLMUNXOOIFIHP-HOJAQTOUSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccccc2)C1 ZINC001089226508 1108083824 /nfs/dbraw/zinc/08/38/24/1108083824.db2.gz IDBHGUKYILSPST-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ccccc2)C1 ZINC001089226508 1108083838 /nfs/dbraw/zinc/08/38/38/1108083838.db2.gz IDBHGUKYILSPST-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@H]([NH3+])C(C)(C)C)cc1 ZINC001649002245 1108163532 /nfs/dbraw/zinc/16/35/32/1108163532.db2.gz NYNDLWULWVYSEJ-ROUUACIJSA-N 1 3 347.503 2.712 20 0 EFADHO Cc1ccc(CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(F)c1 ZINC001272398407 1108182895 /nfs/dbraw/zinc/18/28/95/1108182895.db2.gz QLEICHSNDKLXDO-FQEVSTJZSA-N 1 3 347.478 2.653 20 0 EFADHO CC[NH+](CC)CCC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001272401469 1108186548 /nfs/dbraw/zinc/18/65/48/1108186548.db2.gz QSEOJGSPUGKQQT-FQEVSTJZSA-N 1 3 346.519 2.561 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272419279 1108245426 /nfs/dbraw/zinc/24/54/26/1108245426.db2.gz FXZWQLYEOIZQQR-KRWDZBQOSA-N 1 3 343.515 2.975 20 0 EFADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393224 1108315923 /nfs/dbraw/zinc/31/59/23/1108315923.db2.gz AEPSVMCQLUOPIS-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393224 1108315935 /nfs/dbraw/zinc/31/59/35/1108315935.db2.gz AEPSVMCQLUOPIS-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO CCC[NH+]1CCC2(CC1)Cc1ccccc1CN(CCN(C)C)C2=O ZINC001272452150 1108355807 /nfs/dbraw/zinc/35/58/07/1108355807.db2.gz HDLNUBUBZHTJPF-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272466613 1108415028 /nfs/dbraw/zinc/41/50/28/1108415028.db2.gz INZBOULYNJZZNC-PZJWPPBQSA-N 1 3 343.515 2.666 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272466613 1108415036 /nfs/dbraw/zinc/41/50/36/1108415036.db2.gz INZBOULYNJZZNC-PZJWPPBQSA-N 1 3 343.515 2.666 20 0 EFADHO C[C@H](CCNC[C@H](O)CC1(O)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000905149247 1108461299 /nfs/dbraw/zinc/46/12/99/1108461299.db2.gz ZASHVYCIRYLRJG-UYAOXDASSA-N 1 3 348.531 2.933 20 0 EFADHO C[C@H](CCNC[C@H](O)CC1(O)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905149247 1108461306 /nfs/dbraw/zinc/46/13/06/1108461306.db2.gz ZASHVYCIRYLRJG-UYAOXDASSA-N 1 3 348.531 2.933 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256145 1108467527 /nfs/dbraw/zinc/46/75/27/1108467527.db2.gz MLVIWBRZAZGALF-IRXDYDNUSA-N 1 3 341.455 2.513 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256145 1108467531 /nfs/dbraw/zinc/46/75/31/1108467531.db2.gz MLVIWBRZAZGALF-IRXDYDNUSA-N 1 3 341.455 2.513 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@](C)(O)C(F)F ZINC000905165692 1108486245 /nfs/dbraw/zinc/48/62/45/1108486245.db2.gz DZCHEKUFEBYCER-HBUWYVDXSA-N 1 3 326.431 2.749 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133065 1108520088 /nfs/dbraw/zinc/52/00/88/1108520088.db2.gz HBWUECUAFKKOQP-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000905211191 1108521416 /nfs/dbraw/zinc/52/14/16/1108521416.db2.gz ZHAFHCKPUPQNIO-NTDBWNAOSA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000905211191 1108521426 /nfs/dbraw/zinc/52/14/26/1108521426.db2.gz ZHAFHCKPUPQNIO-NTDBWNAOSA-N 1 3 338.442 2.893 20 0 EFADHO C[C@@H](F)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133323 1108527132 /nfs/dbraw/zinc/52/71/32/1108527132.db2.gz JEKOOVVVZBTOSM-BRWVUGGUSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001106133677 1108554529 /nfs/dbraw/zinc/55/45/29/1108554529.db2.gz PAVJJDJWBRFVPZ-XLBHYRNJSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001106133678 1108555273 /nfs/dbraw/zinc/55/52/73/1108555273.db2.gz PAVJJDJWBRFVPZ-ZJBFNYKTSA-N 1 3 341.927 2.688 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CC3CCCC3)C2)C1=O ZINC001272500316 1108560471 /nfs/dbraw/zinc/56/04/71/1108560471.db2.gz WERAPDWUGJRTPB-NRFANRHFSA-N 1 3 341.499 2.729 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001272500316 1108560479 /nfs/dbraw/zinc/56/04/79/1108560479.db2.gz WERAPDWUGJRTPB-NRFANRHFSA-N 1 3 341.499 2.729 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001088770283 1108733781 /nfs/dbraw/zinc/73/37/81/1108733781.db2.gz GWDIWFCGNJNIDO-LSTHTHJFSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC001088770283 1108733788 /nfs/dbraw/zinc/73/37/88/1108733788.db2.gz GWDIWFCGNJNIDO-LSTHTHJFSA-N 1 3 345.531 2.940 20 0 EFADHO CC[C@@H]1COC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924708200 1108788899 /nfs/dbraw/zinc/78/88/99/1108788899.db2.gz XUAAQDKSFWTNTF-NHCUHLMSSA-N 1 3 345.531 2.599 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCc1cccs1 ZINC001088792331 1108858876 /nfs/dbraw/zinc/85/88/76/1108858876.db2.gz HSDWONBUOFFSFY-WBVHZDCISA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCc1cccs1 ZINC001088792331 1108858882 /nfs/dbraw/zinc/85/88/82/1108858882.db2.gz HSDWONBUOFFSFY-WBVHZDCISA-N 1 3 349.544 2.744 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001030021626 1108891937 /nfs/dbraw/zinc/89/19/37/1108891937.db2.gz IJNHFDIOVFGZNQ-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001142590411 1109077330 /nfs/dbraw/zinc/07/73/30/1109077330.db2.gz XXCCJAFNNRITKW-GHBBCFCZSA-N 1 3 343.515 2.981 20 0 EFADHO CC[C@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC001168362982 1109091966 /nfs/dbraw/zinc/09/19/66/1109091966.db2.gz OGYUYJWAWSJNBA-OAHLLOKOSA-N 1 3 325.497 2.754 20 0 EFADHO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C12CCC2 ZINC000898845839 1109102875 /nfs/dbraw/zinc/10/28/75/1109102875.db2.gz PBMKAWNUOCOMLZ-RTBURBONSA-N 1 3 341.499 2.885 20 0 EFADHO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C12CCC2 ZINC000898845837 1109102980 /nfs/dbraw/zinc/10/29/80/1109102980.db2.gz PBMKAWNUOCOMLZ-OALUTQOASA-N 1 3 341.499 2.885 20 0 EFADHO Fc1cccc(CN2CC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)c1 ZINC001168365390 1109297017 /nfs/dbraw/zinc/29/70/17/1109297017.db2.gz QGVROZXNUAGVKU-FQEVSTJZSA-N 1 3 331.479 2.864 20 0 EFADHO Fc1cccc(CN2CC[C@H](NC3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168365390 1109297019 /nfs/dbraw/zinc/29/70/19/1109297019.db2.gz QGVROZXNUAGVKU-FQEVSTJZSA-N 1 3 331.479 2.864 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001483139009 1109615420 /nfs/dbraw/zinc/61/54/20/1109615420.db2.gz VEJSLXZSGJGFTG-MNEFBYGVSA-N 1 3 331.504 2.745 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001076083610 1109632058 /nfs/dbraw/zinc/63/20/58/1109632058.db2.gz JGKYKLLAUDTBGI-ZCNNSNEGSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001076083610 1109632061 /nfs/dbraw/zinc/63/20/61/1109632061.db2.gz JGKYKLLAUDTBGI-ZCNNSNEGSA-N 1 3 345.531 2.584 20 0 EFADHO Fc1ccccc1CN1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366465 1109668283 /nfs/dbraw/zinc/66/82/83/1109668283.db2.gz SXCRKADHRZAUGB-LJQANCHMSA-N 1 3 331.479 2.864 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001076321927 1109766916 /nfs/dbraw/zinc/76/69/16/1109766916.db2.gz BVEQGIAQDDPGSC-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001076321927 1109766917 /nfs/dbraw/zinc/76/69/17/1109766917.db2.gz BVEQGIAQDDPGSC-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255235 1111232365 /nfs/dbraw/zinc/23/23/65/1111232365.db2.gz LCAGCLSWZGSGEH-IKSUFZCESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255692 1111233757 /nfs/dbraw/zinc/23/37/57/1111233757.db2.gz FDEXPGSOLXOZBH-RCCFBDPRSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106312790 1111399846 /nfs/dbraw/zinc/39/98/46/1111399846.db2.gz PELQTFQEHYBUPF-BRWVUGGUSA-N 1 3 325.541 2.837 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203505740 1111412639 /nfs/dbraw/zinc/41/26/39/1111412639.db2.gz FLXRXNUURLMIOI-IRXDYDNUSA-N 1 3 341.515 2.875 20 0 EFADHO Cc1ccc(CCC[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001127322438 1111416045 /nfs/dbraw/zinc/41/60/45/1111416045.db2.gz OSZBTLBBTAZHKZ-UHFFFAOYSA-N 1 3 345.531 2.898 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001106336170 1111425606 /nfs/dbraw/zinc/42/56/06/1111425606.db2.gz FUPCWBVYHDOGKV-IEBWSBKVSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1)N(C)C ZINC001106633560 1111683976 /nfs/dbraw/zinc/68/39/76/1111683976.db2.gz MRQGGQFHZOMMPC-BHIYHBOVSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106664955 1111707566 /nfs/dbraw/zinc/70/75/66/1111707566.db2.gz DBHHPZIAYOVKQH-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC3CCCC3)[C@H](C)C2)C1 ZINC001106666321 1111708812 /nfs/dbraw/zinc/70/88/12/1111708812.db2.gz KOQPFQFCQVEBKM-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666506 1111709005 /nfs/dbraw/zinc/70/90/05/1111709005.db2.gz MSTRLFQYFDFSPJ-GPMSIDNRSA-N 1 3 341.515 2.539 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666833 1111709151 /nfs/dbraw/zinc/70/91/51/1111709151.db2.gz WZMSTRDIXWOVEI-TYURGFQUSA-N 1 3 335.536 2.759 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669000 1111711920 /nfs/dbraw/zinc/71/19/20/1111711920.db2.gz SZDNKPDSJOPHGB-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1)N(C)C ZINC001106673821 1111712533 /nfs/dbraw/zinc/71/25/33/1111712533.db2.gz NCBKEKXAZYXVCW-QRQLOZEOSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106705113 1111737680 /nfs/dbraw/zinc/73/76/80/1111737680.db2.gz RPZRIPBFIJAOET-NVXWUHKLSA-N 1 3 330.476 2.527 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729109 1111770112 /nfs/dbraw/zinc/77/01/12/1111770112.db2.gz IJOPAAICVOTKFO-QRVBRYPASA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106729204 1111771246 /nfs/dbraw/zinc/77/12/46/1111771246.db2.gz MLMSDUDKZCTCJP-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](F)CC)[C@H](C)C1 ZINC001106775558 1111821841 /nfs/dbraw/zinc/82/18/41/1111821841.db2.gz OZYZEBUFXGAWTQ-KZNAEPCWSA-N 1 3 343.531 2.931 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272645476 1111858218 /nfs/dbraw/zinc/85/82/18/1111858218.db2.gz DEMJXROTXSASMO-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272645476 1111858220 /nfs/dbraw/zinc/85/82/20/1111858220.db2.gz DEMJXROTXSASMO-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089380921 1112041468 /nfs/dbraw/zinc/04/14/68/1112041468.db2.gz JQTNFXIYECABPF-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089380921 1112041472 /nfs/dbraw/zinc/04/14/72/1112041472.db2.gz JQTNFXIYECABPF-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089380924 1112041624 /nfs/dbraw/zinc/04/16/24/1112041624.db2.gz JQTNFXIYECABPF-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089380924 1112041628 /nfs/dbraw/zinc/04/16/28/1112041628.db2.gz JQTNFXIYECABPF-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089382057 1112042848 /nfs/dbraw/zinc/04/28/48/1112042848.db2.gz PKUCIFSAVQTZTR-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089382057 1112042852 /nfs/dbraw/zinc/04/28/52/1112042852.db2.gz PKUCIFSAVQTZTR-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426517 1112113377 /nfs/dbraw/zinc/11/33/77/1112113377.db2.gz IXLGVMVDTRWWQK-SJORKVTESA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426517 1112113378 /nfs/dbraw/zinc/11/33/78/1112113378.db2.gz IXLGVMVDTRWWQK-SJORKVTESA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487718 1112222490 /nfs/dbraw/zinc/22/24/90/1112222490.db2.gz MXGADJGSXVARGN-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487718 1112222494 /nfs/dbraw/zinc/22/24/94/1112222494.db2.gz MXGADJGSXVARGN-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089491550 1112226640 /nfs/dbraw/zinc/22/66/40/1112226640.db2.gz PHYZIEMIMILZKN-HTEAGGNKSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089491550 1112226643 /nfs/dbraw/zinc/22/66/43/1112226643.db2.gz PHYZIEMIMILZKN-HTEAGGNKSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492608 1112227226 /nfs/dbraw/zinc/22/72/26/1112227226.db2.gz LLSBCFQIBRHRDO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492608 1112227228 /nfs/dbraw/zinc/22/72/28/1112227228.db2.gz LLSBCFQIBRHRDO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089536253 1112276262 /nfs/dbraw/zinc/27/62/62/1112276262.db2.gz AMWTYSBIISIECO-HTEAGGNKSA-N 1 3 341.927 2.688 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089536253 1112276264 /nfs/dbraw/zinc/27/62/64/1112276264.db2.gz AMWTYSBIISIECO-HTEAGGNKSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1 ZINC001203455069 1112437032 /nfs/dbraw/zinc/43/70/32/1112437032.db2.gz CNYNFTGYBABIJX-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089647821 1112443152 /nfs/dbraw/zinc/44/31/52/1112443152.db2.gz BBMFSPRGMYLPAV-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089647821 1112443155 /nfs/dbraw/zinc/44/31/55/1112443155.db2.gz BBMFSPRGMYLPAV-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001483786321 1112448917 /nfs/dbraw/zinc/44/89/17/1112448917.db2.gz UYEYHMJBUVLHRR-UHFFFAOYSA-N 1 3 332.492 2.715 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001483848028 1112509652 /nfs/dbraw/zinc/50/96/52/1112509652.db2.gz RBMDHGWDXUOPBI-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001483848028 1112509656 /nfs/dbraw/zinc/50/96/56/1112509656.db2.gz RBMDHGWDXUOPBI-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](CC(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1)CC(C)(C)C ZINC001483849306 1112510765 /nfs/dbraw/zinc/51/07/65/1112510765.db2.gz SSLDHMWVZMRDQB-MOTZXUDYSA-N 1 3 341.927 2.641 20 0 EFADHO C[N@@H+](CC(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1)CC(C)(C)C ZINC001483849306 1112510766 /nfs/dbraw/zinc/51/07/66/1112510766.db2.gz SSLDHMWVZMRDQB-MOTZXUDYSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001483910668 1112570301 /nfs/dbraw/zinc/57/03/01/1112570301.db2.gz DGRVKLFSSNGEJG-XCRGBYMUSA-N 1 3 329.916 2.686 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001483910667 1112570392 /nfs/dbraw/zinc/57/03/92/1112570392.db2.gz DGRVKLFSSNGEJG-OSZGCLPASA-N 1 3 329.916 2.686 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001483910665 1112570457 /nfs/dbraw/zinc/57/04/57/1112570457.db2.gz DGRVKLFSSNGEJG-JHSOUAKNSA-N 1 3 329.916 2.686 20 0 EFADHO CC1(C)CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(CCCF)C1 ZINC001089665456 1112621730 /nfs/dbraw/zinc/62/17/30/1112621730.db2.gz XAXOBCMLXTXKHQ-INIZCTEOSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001106907839 1112850330 /nfs/dbraw/zinc/85/03/30/1112850330.db2.gz FQLSQPRFBMSPJW-SOLBZPMBSA-N 1 3 349.494 2.913 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001106909378 1112941665 /nfs/dbraw/zinc/94/16/65/1112941665.db2.gz HISALESVEAOZPB-VQIMIIECSA-N 1 3 349.494 2.682 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001484540556 1112994918 /nfs/dbraw/zinc/99/49/18/1112994918.db2.gz WJNYQWQZLWUULY-LSDHHAIUSA-N 1 3 344.434 2.681 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@H](CC)N(C)C)CCC2)cc1 ZINC001484660996 1113101414 /nfs/dbraw/zinc/10/14/14/1113101414.db2.gz YMVSJMWSLGEJNK-SFHVURJKSA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821151 1117919962 /nfs/dbraw/zinc/91/99/62/1117919962.db2.gz QZUFWKZQQMFANY-RNQOJCNYSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821151 1117919965 /nfs/dbraw/zinc/91/99/65/1117919965.db2.gz QZUFWKZQQMFANY-RNQOJCNYSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001484994415 1117929253 /nfs/dbraw/zinc/92/92/53/1117929253.db2.gz OQQWIVUIIJDIKK-MPGHIAIKSA-N 1 3 337.483 2.957 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001485266117 1118184876 /nfs/dbraw/zinc/18/48/76/1118184876.db2.gz SFZYBEBDEXRKGM-ABHNRTSZSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485377238 1118303760 /nfs/dbraw/zinc/30/37/60/1118303760.db2.gz YGAWTDJLHSYNCP-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485377238 1118303763 /nfs/dbraw/zinc/30/37/63/1118303763.db2.gz YGAWTDJLHSYNCP-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)cc1F ZINC001485388535 1118330160 /nfs/dbraw/zinc/33/01/60/1118330160.db2.gz MMJVAOOFSQXYFX-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001485508608 1118427159 /nfs/dbraw/zinc/42/71/59/1118427159.db2.gz HHBYKBDFXLLPLC-DLBZAZTESA-N 1 3 343.515 2.977 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000995187864 1118755677 /nfs/dbraw/zinc/75/56/77/1118755677.db2.gz UMSUDMZJPGOBJP-MSOLQXFVSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272707927 1118757107 /nfs/dbraw/zinc/75/71/07/1118757107.db2.gz YIUGSXXCIDPRKW-HXUWFJFHSA-N 1 3 347.478 2.653 20 0 EFADHO CCCCNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272715951 1118897370 /nfs/dbraw/zinc/89/73/70/1118897370.db2.gz AUYVNQHNKLHNBK-GOSISDBHSA-N 1 3 335.536 2.881 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001032026657 1118945047 /nfs/dbraw/zinc/94/50/47/1118945047.db2.gz IGMNTHMFMWGLFH-FQEVSTJZSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032027030 1118948907 /nfs/dbraw/zinc/94/89/07/1118948907.db2.gz MDMBGOYAUODFKV-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2cccs2)C1 ZINC001032027506 1118950819 /nfs/dbraw/zinc/95/08/19/1118950819.db2.gz UCWNEBNUYVQMMF-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(CCc2cccs2)C1 ZINC001032027506 1118950823 /nfs/dbraw/zinc/95/08/23/1118950823.db2.gz UCWNEBNUYVQMMF-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(CCc2cccs2)C1 ZINC001032027506 1118950826 /nfs/dbraw/zinc/95/08/26/1118950826.db2.gz UCWNEBNUYVQMMF-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCN1CCCCC1 ZINC001272716917 1118951659 /nfs/dbraw/zinc/95/16/59/1118951659.db2.gz MMZKHSFTOIPNFW-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCN1CCCCC1 ZINC001272716917 1118951663 /nfs/dbraw/zinc/95/16/63/1118951663.db2.gz MMZKHSFTOIPNFW-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CN(CCC(F)(F)F)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555157 1118965307 /nfs/dbraw/zinc/96/53/07/1118965307.db2.gz FKELEHKQXULIML-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555568 1118965404 /nfs/dbraw/zinc/96/54/04/1118965404.db2.gz MATYEERAQYMFRW-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555568 1118965407 /nfs/dbraw/zinc/96/54/07/1118965407.db2.gz MATYEERAQYMFRW-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)c1 ZINC001032043253 1119078389 /nfs/dbraw/zinc/07/83/89/1119078389.db2.gz YBBPUYYVLQRBGQ-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC001032043253 1119078393 /nfs/dbraw/zinc/07/83/93/1119078393.db2.gz YBBPUYYVLQRBGQ-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)CNC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272719864 1119203168 /nfs/dbraw/zinc/20/31/68/1119203168.db2.gz WWJQVTCYQMSIIZ-GOSISDBHSA-N 1 3 335.536 2.737 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001032117820 1119765454 /nfs/dbraw/zinc/76/54/54/1119765454.db2.gz KURNMEYWGJOOOS-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001032117820 1119765457 /nfs/dbraw/zinc/76/54/57/1119765457.db2.gz KURNMEYWGJOOOS-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001032117821 1119765543 /nfs/dbraw/zinc/76/55/43/1119765543.db2.gz KURNMEYWGJOOOS-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001032117821 1119765546 /nfs/dbraw/zinc/76/55/46/1119765546.db2.gz KURNMEYWGJOOOS-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118898 1119771320 /nfs/dbraw/zinc/77/13/20/1119771320.db2.gz ZNDUNZRIOXQFMX-UHFFFAOYSA-N 1 3 345.531 2.657 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029424 1119818824 /nfs/dbraw/zinc/81/88/24/1119818824.db2.gz UNJNFYPWECKTHE-ATZDWAIDSA-N 1 3 349.494 2.794 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001032129244 1119839753 /nfs/dbraw/zinc/83/97/53/1119839753.db2.gz ULUNTHONHDKVTH-OALUTQOASA-N 1 3 333.520 2.655 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001032129245 1119839761 /nfs/dbraw/zinc/83/97/61/1119839761.db2.gz ULUNTHONHDKVTH-RBUKOAKNSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]C/C=C\Cl ZINC001107035391 1120002882 /nfs/dbraw/zinc/00/28/82/1120002882.db2.gz FPIJYECMPFFIBD-CGMDOEBQSA-N 1 3 349.906 2.798 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC001107038748 1120043325 /nfs/dbraw/zinc/04/33/25/1120043325.db2.gz FUCSSZJSARVBCB-NCJCTJFTSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107039477 1120078853 /nfs/dbraw/zinc/07/88/53/1120078853.db2.gz UAEHDHPXVWCAHE-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC000944445964 1120194886 /nfs/dbraw/zinc/19/48/86/1120194886.db2.gz RNFSCSIVWFAOLI-QAPCUYQASA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC000944445964 1120194889 /nfs/dbraw/zinc/19/48/89/1120194889.db2.gz RNFSCSIVWFAOLI-QAPCUYQASA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1C ZINC000944447129 1120195843 /nfs/dbraw/zinc/19/58/43/1120195843.db2.gz XTFSNDCBVBWZAW-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C[C@H]1C ZINC000944447129 1120195844 /nfs/dbraw/zinc/19/58/44/1120195844.db2.gz XTFSNDCBVBWZAW-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001032205736 1120199625 /nfs/dbraw/zinc/19/96/25/1120199625.db2.gz GYTIXZGVIRFUNX-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032206268 1120200783 /nfs/dbraw/zinc/20/07/83/1120200783.db2.gz WLVNYUAQZYUKBF-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029634 1120520517 /nfs/dbraw/zinc/52/05/17/1120520517.db2.gz VGKSDUHQZOJDBF-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029634 1120520520 /nfs/dbraw/zinc/52/05/20/1120520520.db2.gz VGKSDUHQZOJDBF-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031360 1120522352 /nfs/dbraw/zinc/52/23/52/1120522352.db2.gz ZYAIZFNZWAFEOW-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031360 1120522356 /nfs/dbraw/zinc/52/23/56/1120522356.db2.gz ZYAIZFNZWAFEOW-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031356 1120522511 /nfs/dbraw/zinc/52/25/11/1120522511.db2.gz ZYAIZFNZWAFEOW-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031356 1120522512 /nfs/dbraw/zinc/52/25/12/1120522512.db2.gz ZYAIZFNZWAFEOW-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091527 1120547537 /nfs/dbraw/zinc/54/75/37/1120547537.db2.gz NPDYSCMFFSZVGG-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091527 1120547540 /nfs/dbraw/zinc/54/75/40/1120547540.db2.gz NPDYSCMFFSZVGG-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088195 1120558232 /nfs/dbraw/zinc/55/82/32/1120558232.db2.gz BHYRHDAOWDSSKS-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088195 1120558236 /nfs/dbraw/zinc/55/82/36/1120558236.db2.gz BHYRHDAOWDSSKS-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089867 1120560105 /nfs/dbraw/zinc/56/01/05/1120560105.db2.gz IODYJJXHFJSWLC-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089867 1120560110 /nfs/dbraw/zinc/56/01/10/1120560110.db2.gz IODYJJXHFJSWLC-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000173946661 231078146 /nfs/dbraw/zinc/07/81/46/231078146.db2.gz HXSLWWNUEFGXPP-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000173946661 231078149 /nfs/dbraw/zinc/07/81/49/231078149.db2.gz HXSLWWNUEFGXPP-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000433365665 282168819 /nfs/dbraw/zinc/16/88/19/282168819.db2.gz XESSIZXQLJKYPB-OALUTQOASA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000167309391 529417433 /nfs/dbraw/zinc/41/74/33/529417433.db2.gz ZDZKATSOTOBISO-APWZRJJASA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000167309391 529417434 /nfs/dbraw/zinc/41/74/34/529417434.db2.gz ZDZKATSOTOBISO-APWZRJJASA-N 1 3 331.504 2.730 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000247112119 282189144 /nfs/dbraw/zinc/18/91/44/282189144.db2.gz RDTAQCALUSDREC-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[N@H+](CCOCC(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000189807248 529921152 /nfs/dbraw/zinc/92/11/52/529921152.db2.gz PLMIUSVPBMJQLT-UHFFFAOYSA-N 1 3 327.419 2.902 20 0 EFADHO C[N@@H+](CCOCC(F)F)CCC1CCN(c2ccncc2)CC1 ZINC000189807248 529921154 /nfs/dbraw/zinc/92/11/54/529921154.db2.gz PLMIUSVPBMJQLT-UHFFFAOYSA-N 1 3 327.419 2.902 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1 ZINC000101602746 219143759 /nfs/dbraw/zinc/14/37/59/219143759.db2.gz FJMLXSXSTIAROO-GOSISDBHSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1 ZINC000101602746 219143761 /nfs/dbraw/zinc/14/37/61/219143761.db2.gz FJMLXSXSTIAROO-GOSISDBHSA-N 1 3 332.492 2.875 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893644 299125534 /nfs/dbraw/zinc/12/55/34/299125534.db2.gz XWNNMQMASRNJTC-LNLFQRSKSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893644 299125538 /nfs/dbraw/zinc/12/55/38/299125538.db2.gz XWNNMQMASRNJTC-LNLFQRSKSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3ccccc3n2C)C[C@@H](C)O1 ZINC000066990653 215101610 /nfs/dbraw/zinc/10/16/10/215101610.db2.gz NJSRNCHHJUNWOG-HZPDHXFCSA-N 1 3 330.476 2.552 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000067452977 215148156 /nfs/dbraw/zinc/14/81/56/215148156.db2.gz CAULWRDCDKFVDR-IYBDPMFKSA-N 1 3 336.476 2.683 20 0 EFADHO COc1ccc(OC)c(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000067452958 215148428 /nfs/dbraw/zinc/14/84/28/215148428.db2.gz VLEYGBICGNIJJC-HOTGVXAUSA-N 1 3 336.476 2.683 20 0 EFADHO CN1CCC(CC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000365860972 282689589 /nfs/dbraw/zinc/68/95/89/282689589.db2.gz LJTSJGUEZJMIPT-IBGZPJMESA-N 1 3 335.536 2.833 20 0 EFADHO CN1CCC(C[NH2+]CCC2CCCCCC2)(N2CCOCC2)CC1 ZINC000414488901 282694814 /nfs/dbraw/zinc/69/48/14/282694814.db2.gz UURPFCFNPRLWMR-UHFFFAOYSA-N 1 3 337.552 2.733 20 0 EFADHO C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)N(C)Cc1ccccc1 ZINC000184237791 235343492 /nfs/dbraw/zinc/34/34/92/235343492.db2.gz POKNMRKASFXYNM-QGZVFWFLSA-N 1 3 331.504 2.922 20 0 EFADHO CN(C)CCOc1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000184222569 235338335 /nfs/dbraw/zinc/33/83/35/235338335.db2.gz MXFWJOXGMANNRX-UHFFFAOYSA-N 1 3 347.503 2.543 20 0 EFADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1C ZINC000422562930 291098976 /nfs/dbraw/zinc/09/89/76/291098976.db2.gz RBIZREBKZDBKDU-SKDZVZGDSA-N 1 3 348.487 2.660 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000037984610 213184005 /nfs/dbraw/zinc/18/40/05/213184005.db2.gz RVNQTRPYGNBCLL-IUODEOHRSA-N 1 3 327.266 2.556 20 0 EFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186470871 235915705 /nfs/dbraw/zinc/91/57/05/235915705.db2.gz MFWJHEHTSXVPFX-UHFFFAOYSA-N 1 3 347.409 2.628 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342913 283253355 /nfs/dbraw/zinc/25/33/55/283253355.db2.gz JAMBNSDOXQJQMH-GOSISDBHSA-N 1 3 338.540 2.674 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343102834 283319372 /nfs/dbraw/zinc/31/93/72/283319372.db2.gz NJQQHSNIGBZFHH-RHSMWYFYSA-N 1 3 335.879 2.504 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181314491 283350550 /nfs/dbraw/zinc/35/05/50/283350550.db2.gz BYSRGCAHNLYGHE-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181314491 283350554 /nfs/dbraw/zinc/35/05/54/283350554.db2.gz BYSRGCAHNLYGHE-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354413036 299284067 /nfs/dbraw/zinc/28/40/67/299284067.db2.gz MTMXHIQTZGABPW-AVGNSLFASA-N 1 3 328.909 2.940 20 0 EFADHO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201031 283495665 /nfs/dbraw/zinc/49/56/65/283495665.db2.gz SIBLBROPZMZLLO-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431794045 296010015 /nfs/dbraw/zinc/01/00/15/296010015.db2.gz FJORBMFXKGLPOR-HKUYNNGSSA-N 1 3 333.520 2.728 20 0 EFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000193930842 240367544 /nfs/dbraw/zinc/36/75/44/240367544.db2.gz HZRLBYCSFAGXBA-KRWDZBQOSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000131728199 223264385 /nfs/dbraw/zinc/26/43/85/223264385.db2.gz UWGKXKFQTKUZNX-QWRGUYRKSA-N 1 3 330.259 2.991 20 0 EFADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000131771973 223271960 /nfs/dbraw/zinc/27/19/60/223271960.db2.gz IGALJYXDLYSVFV-WDEREUQCSA-N 1 3 330.259 2.991 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000164522312 239115063 /nfs/dbraw/zinc/11/50/63/239115063.db2.gz OPLCEPOFFOUJIM-MSOLQXFVSA-N 1 3 333.476 2.863 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000164522689 239115691 /nfs/dbraw/zinc/11/56/91/239115691.db2.gz OPLCEPOFFOUJIM-ZWKOTPCHSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])N(C)Cc1ccccc1 ZINC000168753258 239126682 /nfs/dbraw/zinc/12/66/82/239126682.db2.gz HDUHPVAETDARGX-QRQLOZEOSA-N 1 3 331.504 2.921 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000132311452 223319674 /nfs/dbraw/zinc/31/96/74/223319674.db2.gz FRSCBVDXMBWCKF-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H](CC(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000193441294 240166421 /nfs/dbraw/zinc/16/64/21/240166421.db2.gz CVZHOVQBGZNJAK-CDHQVMDDSA-N 1 3 339.483 2.982 20 0 EFADHO C[C@@H](CC[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000193811673 240318482 /nfs/dbraw/zinc/31/84/82/240318482.db2.gz ZUZUOHVNRGZZMZ-KRWDZBQOSA-N 1 3 331.504 2.570 20 0 EFADHO CCC[C@H](C)[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201033 283849640 /nfs/dbraw/zinc/84/96/40/283849640.db2.gz SIBLBROPZMZLLO-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3cccc(Br)c3)C[C@H]21 ZINC000228546139 242141246 /nfs/dbraw/zinc/14/12/46/242141246.db2.gz UOADIYOGYVXGOY-DAXOMENPSA-N 1 3 339.277 2.887 20 0 EFADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000133031759 223382828 /nfs/dbraw/zinc/38/28/28/223382828.db2.gz SGHGXUZSEKGBFK-VQIMIIECSA-N 1 3 330.472 2.991 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236589106 242289069 /nfs/dbraw/zinc/28/90/69/242289069.db2.gz OPGANKKOGVAWCR-SJLPKXTDSA-N 1 3 335.467 2.527 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236713380 242331636 /nfs/dbraw/zinc/33/16/36/242331636.db2.gz IRTLCMBNYUPWTA-IBGZPJMESA-N 1 3 331.504 2.603 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000236713010 242331968 /nfs/dbraw/zinc/33/19/68/242331968.db2.gz FFIPCRGOZOJIQX-LJQANCHMSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236660243 242310545 /nfs/dbraw/zinc/31/05/45/242310545.db2.gz ZZXVKEWRHGLDBU-OALUTQOASA-N 1 3 331.504 2.949 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000236700258 242324961 /nfs/dbraw/zinc/32/49/61/242324961.db2.gz GJIHJAUZRALDCK-FUHWJXTLSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000242047793 243008603 /nfs/dbraw/zinc/00/86/03/243008603.db2.gz VQEPPLLKSBRYML-UHFFFAOYSA-N 1 3 337.467 2.848 20 0 EFADHO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411938048 243033722 /nfs/dbraw/zinc/03/37/22/243033722.db2.gz FXUDSANTTRWDPZ-IBGZPJMESA-N 1 3 329.488 2.583 20 0 EFADHO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411938048 243033728 /nfs/dbraw/zinc/03/37/28/243033728.db2.gz FXUDSANTTRWDPZ-IBGZPJMESA-N 1 3 329.488 2.583 20 0 EFADHO OC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411985768 243058188 /nfs/dbraw/zinc/05/81/88/243058188.db2.gz JGSKYCSFTMYXRN-VQTJNVASSA-N 1 3 332.488 2.550 20 0 EFADHO OC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411985768 243058194 /nfs/dbraw/zinc/05/81/94/243058194.db2.gz JGSKYCSFTMYXRN-VQTJNVASSA-N 1 3 332.488 2.550 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343136597 299385341 /nfs/dbraw/zinc/38/53/41/299385341.db2.gz LCEBOVOWUHQZTJ-XEYPJELSSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343136597 299385343 /nfs/dbraw/zinc/38/53/43/299385343.db2.gz LCEBOVOWUHQZTJ-XEYPJELSSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000412139441 243165782 /nfs/dbraw/zinc/16/57/82/243165782.db2.gz RZPLXWJZXJSLIV-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000412139441 243165786 /nfs/dbraw/zinc/16/57/86/243165786.db2.gz RZPLXWJZXJSLIV-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO C[NH+](C)CCN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000412258851 243231814 /nfs/dbraw/zinc/23/18/14/243231814.db2.gz PKRJVNTUEMQGRU-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371208 243292004 /nfs/dbraw/zinc/29/20/04/243292004.db2.gz YBNOOBAAOFOYPY-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN4CCCCC4)c3)C2)C1 ZINC000412371208 243292011 /nfs/dbraw/zinc/29/20/11/243292011.db2.gz YBNOOBAAOFOYPY-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000246545233 243270461 /nfs/dbraw/zinc/27/04/61/243270461.db2.gz SSFGZHJOBCZJCQ-YTQUADARSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000246554232 243271899 /nfs/dbraw/zinc/27/18/99/243271899.db2.gz UBXQJTSHBGSHBM-PANBIXPWSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H](NCC[C@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171772 244031957 /nfs/dbraw/zinc/03/19/57/244031957.db2.gz DRDIREFNWPEEMC-UONOGXRCSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@H](NCC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171772 244031969 /nfs/dbraw/zinc/03/19/69/244031969.db2.gz DRDIREFNWPEEMC-UONOGXRCSA-N 1 3 342.480 2.612 20 0 EFADHO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195711 244040666 /nfs/dbraw/zinc/04/06/66/244040666.db2.gz OGZRLIQMTZSYBZ-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CCCC[C@H](C)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194142 244042892 /nfs/dbraw/zinc/04/28/92/244042892.db2.gz NLKNGJILKAHTBY-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194139 244042945 /nfs/dbraw/zinc/04/29/45/244042945.db2.gz NLKNGJILKAHTBY-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414207168 244046868 /nfs/dbraw/zinc/04/68/68/244046868.db2.gz ZEYJFDZSVYBXGT-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298966 244076955 /nfs/dbraw/zinc/07/69/55/244076955.db2.gz HPULEDWNPSCHFP-UXHICEINSA-N 1 3 346.515 2.808 20 0 EFADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414322202 244088163 /nfs/dbraw/zinc/08/81/63/244088163.db2.gz GGXHCYUVURUVJB-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCC1 ZINC000414336832 244093340 /nfs/dbraw/zinc/09/33/40/244093340.db2.gz ZTZWKKJLLPNJGP-HNNXBMFYSA-N 1 3 329.488 2.662 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000414260846 244066000 /nfs/dbraw/zinc/06/60/00/244066000.db2.gz HQHZRUJMUNZGJB-OYNPSCLESA-N 1 3 345.531 2.596 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2cccc(F)c2)nc1C ZINC000414359521 244103662 /nfs/dbraw/zinc/10/36/62/244103662.db2.gz DWHFLNFDKWOCHV-IBGZPJMESA-N 1 3 348.466 2.766 20 0 EFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccsc3)cc2)CC1 ZINC000414550291 244226867 /nfs/dbraw/zinc/22/68/67/244226867.db2.gz CRBAZVRIECZWES-UHFFFAOYSA-N 1 3 343.496 2.735 20 0 EFADHO Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703772 244298854 /nfs/dbraw/zinc/29/88/54/244298854.db2.gz VTLZZRRXUVKDKS-XLIONFOSSA-N 1 3 331.504 2.821 20 0 EFADHO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703772 244298857 /nfs/dbraw/zinc/29/88/57/244298857.db2.gz VTLZZRRXUVKDKS-XLIONFOSSA-N 1 3 331.504 2.821 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(F)c2)C2CCCC2)C1 ZINC000414698805 244297025 /nfs/dbraw/zinc/29/70/25/244297025.db2.gz HZUYJQIQTZRAPX-QGZVFWFLSA-N 1 3 347.478 2.768 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(F)c2)C2CCCC2)C1 ZINC000414698805 244297030 /nfs/dbraw/zinc/29/70/30/244297030.db2.gz HZUYJQIQTZRAPX-QGZVFWFLSA-N 1 3 347.478 2.768 20 0 EFADHO C[C@@H]1CN(CCC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000414701545 244297581 /nfs/dbraw/zinc/29/75/81/244297581.db2.gz HQMZNOVAHBFJAH-CALCHBBNSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@@H]1C[C@@H](CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH2+]1 ZINC000414691256 244293678 /nfs/dbraw/zinc/29/36/78/244293678.db2.gz JQSCEXXXZNIYOO-ZRGWGRIASA-N 1 3 330.451 2.969 20 0 EFADHO C[C@@H]1C[C@@H](CN2CCN(c3ccc(F)cc3Cl)CC2)CC[NH2+]1 ZINC000414715206 244303774 /nfs/dbraw/zinc/30/37/74/244303774.db2.gz YIODURUCNFRTOC-KGLIPLIRSA-N 1 3 325.859 2.989 20 0 EFADHO CCCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735139 244317296 /nfs/dbraw/zinc/31/72/96/244317296.db2.gz LXMCRQWMUHTYCR-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO CCOc1c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)nn1CC(C)C ZINC000414771177 244339505 /nfs/dbraw/zinc/33/95/05/244339505.db2.gz QJUWDKRHPVQFFW-CALCHBBNSA-N 1 3 334.508 2.678 20 0 EFADHO CC[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1c1ccccc1 ZINC000414704935 244299949 /nfs/dbraw/zinc/29/99/49/244299949.db2.gz KDHBPZUORYRWLC-GGPKGHCWSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@@H]1c1ccccc1 ZINC000414704935 244299954 /nfs/dbraw/zinc/29/99/54/244299954.db2.gz KDHBPZUORYRWLC-GGPKGHCWSA-N 1 3 343.515 2.699 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414810187 244360344 /nfs/dbraw/zinc/36/03/44/244360344.db2.gz UYFAHDAOZRQMOO-PXNSSMCTSA-N 1 3 333.495 2.940 20 0 EFADHO COc1ccc2oc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2c1 ZINC000414780356 244344835 /nfs/dbraw/zinc/34/48/35/244344835.db2.gz SYVGKKKFJJXXPE-MJGOQNOKSA-N 1 3 330.428 2.770 20 0 EFADHO Fc1ccc(-n2nccc2CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414780670 244345677 /nfs/dbraw/zinc/34/56/77/244345677.db2.gz LUURZTBMASMMAW-CVEARBPZSA-N 1 3 328.435 2.833 20 0 EFADHO Cc1nc2ccc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2s1 ZINC000414782258 244347230 /nfs/dbraw/zinc/34/72/30/244347230.db2.gz ODEVMFDFEHXVDL-OAHLLOKOSA-N 1 3 331.485 2.792 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414788122 244351318 /nfs/dbraw/zinc/35/13/18/244351318.db2.gz WGVPDZHTHSWNIC-LSDHHAIUSA-N 1 3 334.460 2.534 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414791181 244353994 /nfs/dbraw/zinc/35/39/94/244353994.db2.gz BASNINNGBSKTGB-AAEUAGOBSA-N 1 3 343.265 2.683 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2ccc(F)c3cccnc23)CC12CCOCC2 ZINC000414788773 244354528 /nfs/dbraw/zinc/35/45/28/244354528.db2.gz XGTFIIHHPLYDPH-OAHLLOKOSA-N 1 3 329.419 2.561 20 0 EFADHO COc1ccc2oc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2c1 ZINC000414789682 244354682 /nfs/dbraw/zinc/35/46/82/244354682.db2.gz YLJILDKJDKIVLS-HNNXBMFYSA-N 1 3 330.428 2.629 20 0 EFADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1SC ZINC000414796023 244358090 /nfs/dbraw/zinc/35/80/90/244358090.db2.gz XAANAEBWRRXOPD-QAPCUYQASA-N 1 3 336.501 2.745 20 0 EFADHO C[C@@H](CN)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414877342 244383095 /nfs/dbraw/zinc/38/30/95/244383095.db2.gz MNJXUYMJGBHWTP-ZDUSSCGKSA-N 1 3 340.309 2.598 20 0 EFADHO Cc1cccn2cc(COc3ccc(CNC[C@H](C)C[NH3+])cc3)nc12 ZINC000414874752 244383656 /nfs/dbraw/zinc/38/36/56/244383656.db2.gz IZSGWYMMJTXDIV-OAHLLOKOSA-N 1 3 338.455 2.906 20 0 EFADHO [NH3+]C1(CNC2CCN(Cc3c(F)cccc3Cl)CC2)CCC1 ZINC000414879936 244384552 /nfs/dbraw/zinc/38/45/52/244384552.db2.gz QALPLDNCLHPZOC-UHFFFAOYSA-N 1 3 325.859 2.915 20 0 EFADHO C[C@@H](CC[NH3+])NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414884134 244387524 /nfs/dbraw/zinc/38/75/24/244387524.db2.gz AXKSLTOAVNQUAR-INIZCTEOSA-N 1 3 335.455 2.820 20 0 EFADHO C[C@@H](C[NH3+])CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414882871 244388643 /nfs/dbraw/zinc/38/86/43/244388643.db2.gz UUJAPBZXUQBUOK-INIZCTEOSA-N 1 3 335.455 2.678 20 0 EFADHO COC[C@@]1(C[NH2+]C[C@H](C)c2cccc(Br)c2)CCCN1 ZINC000414945611 244397356 /nfs/dbraw/zinc/39/73/56/244397356.db2.gz QSLOUWNXKKJQRU-BBRMVZONSA-N 1 3 341.293 2.911 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000416844183 244870467 /nfs/dbraw/zinc/87/04/67/244870467.db2.gz PRAJOVRISFZUQU-MNEFBYGVSA-N 1 3 346.519 2.621 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccsc1 ZINC000417013162 244973497 /nfs/dbraw/zinc/97/34/97/244973497.db2.gz YETDLOIJPMDBFN-OAHLLOKOSA-N 1 3 340.537 2.757 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000417070275 245006120 /nfs/dbraw/zinc/00/61/20/245006120.db2.gz FYBOPGRNPHONLW-GUDVDZBRSA-N 1 3 344.503 2.736 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000417070275 245006124 /nfs/dbraw/zinc/00/61/24/245006124.db2.gz FYBOPGRNPHONLW-GUDVDZBRSA-N 1 3 344.503 2.736 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089951 245015172 /nfs/dbraw/zinc/01/51/72/245015172.db2.gz SQNVLOQOPCWNRJ-INIZCTEOSA-N 1 3 346.519 2.640 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417224706 245052597 /nfs/dbraw/zinc/05/25/97/245052597.db2.gz VUSCXXPFTBAYMU-CGTJXYLNSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000417705758 245087982 /nfs/dbraw/zinc/08/79/82/245087982.db2.gz NWLLXXRSWPEOGG-HOTGVXAUSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H](N[C@H]1CCN(CC(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417389616 245077936 /nfs/dbraw/zinc/07/79/36/245077936.db2.gz PTZKQEKXYMWDLF-SZMVWBNQSA-N 1 3 337.458 2.826 20 0 EFADHO C[C@H](N[C@H]1CCN(CC(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417389616 245077943 /nfs/dbraw/zinc/07/79/43/245077943.db2.gz PTZKQEKXYMWDLF-SZMVWBNQSA-N 1 3 337.458 2.826 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262653618 245097276 /nfs/dbraw/zinc/09/72/76/245097276.db2.gz BEVHCXSWCXLFLM-UHOSZYNNSA-N 1 3 329.488 2.799 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328500 245123208 /nfs/dbraw/zinc/12/32/08/245123208.db2.gz ASHUCQWLUGZOBC-VQIMIIECSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418345509 245129902 /nfs/dbraw/zinc/12/99/02/245129902.db2.gz HHSCAANZRWCJJF-BMGDILEWSA-N 1 3 332.492 2.627 20 0 EFADHO CCC[C@@](C)(N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262706544 245132846 /nfs/dbraw/zinc/13/28/46/245132846.db2.gz MLZGIUSVQWEYAQ-HXUWFJFHSA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@@](C)(N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262706544 245132853 /nfs/dbraw/zinc/13/28/53/245132853.db2.gz MLZGIUSVQWEYAQ-HXUWFJFHSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418426455 245153016 /nfs/dbraw/zinc/15/30/16/245153016.db2.gz MECXFWHCRSGHNW-RTBURBONSA-N 1 3 346.519 2.666 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418392636 245142881 /nfs/dbraw/zinc/14/28/81/245142881.db2.gz WKSORHANGPNNLW-OALUTQOASA-N 1 3 346.519 2.523 20 0 EFADHO CCCN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000418495573 245174975 /nfs/dbraw/zinc/17/49/75/245174975.db2.gz BLPPUTDEFHTNKD-OALUTQOASA-N 1 3 340.471 2.623 20 0 EFADHO C[C@@]1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000418496123 245175284 /nfs/dbraw/zinc/17/52/84/245175284.db2.gz CUAXDLGOINRUGU-AZUAARDMSA-N 1 3 340.471 2.529 20 0 EFADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418432198 245155435 /nfs/dbraw/zinc/15/54/35/245155435.db2.gz YUOIEVWZFVIOTQ-OALUTQOASA-N 1 3 346.519 2.666 20 0 EFADHO CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418432197 245155476 /nfs/dbraw/zinc/15/54/76/245155476.db2.gz YUOIEVWZFVIOTQ-MOPGFXCFSA-N 1 3 346.519 2.666 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418436660 245157311 /nfs/dbraw/zinc/15/73/11/245157311.db2.gz CCSMTCUATLXULE-HKUYNNGSSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418436663 245157418 /nfs/dbraw/zinc/15/74/18/245157418.db2.gz CCSMTCUATLXULE-PKOBYXMFSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418467120 245167777 /nfs/dbraw/zinc/16/77/77/245167777.db2.gz OOHCRPGOCZEPMQ-JKSUJKDBSA-N 1 3 340.899 2.759 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1NCCc2ccccc21)C(C)C ZINC000418634738 245220107 /nfs/dbraw/zinc/22/01/07/245220107.db2.gz JTEPJDZTIIBLTF-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000262872010 245224354 /nfs/dbraw/zinc/22/43/54/245224354.db2.gz MKSHCMUYIRAMFW-HLIPFELVSA-N 1 3 343.515 2.586 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000418653880 245227941 /nfs/dbraw/zinc/22/79/41/245227941.db2.gz PHHWXTLQFOXVQE-HHXXYDBFSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000418653881 245228655 /nfs/dbraw/zinc/22/86/55/245228655.db2.gz PHHWXTLQFOXVQE-KVSKMBFKSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418657201 245229890 /nfs/dbraw/zinc/22/98/90/245229890.db2.gz UFMGNYJGPHDGMZ-PKOBYXMFSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418657201 245229895 /nfs/dbraw/zinc/22/98/95/245229895.db2.gz UFMGNYJGPHDGMZ-PKOBYXMFSA-N 1 3 346.519 2.765 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667625 245237497 /nfs/dbraw/zinc/23/74/97/245237497.db2.gz HJTZBLMDTUSSPN-MSOLQXFVSA-N 1 3 332.492 2.591 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418673132 245239738 /nfs/dbraw/zinc/23/97/38/245239738.db2.gz NWXQZQAFIAUBGN-PKOBYXMFSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(C(=O)NC[C@H]([NH3+])CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418704945 245253405 /nfs/dbraw/zinc/25/34/05/245253405.db2.gz DEKXDAMCDGJCDK-RTBURBONSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418708189 245254871 /nfs/dbraw/zinc/25/48/71/245254871.db2.gz CDIXORZYQITYOE-MOPGFXCFSA-N 1 3 346.519 2.797 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000418726003 245261558 /nfs/dbraw/zinc/26/15/58/245261558.db2.gz CQARXCSKSDOWFE-PKOBYXMFSA-N 1 3 346.519 2.586 20 0 EFADHO N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000262943367 245264129 /nfs/dbraw/zinc/26/41/29/245264129.db2.gz USDWVRIOXPVREM-FQEVSTJZSA-N 1 3 337.467 2.989 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000418747202 245270358 /nfs/dbraw/zinc/27/03/58/245270358.db2.gz JCQLDESTENCFMJ-LJQANCHMSA-N 1 3 346.519 2.600 20 0 EFADHO CN(C)C1(CN(C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000418680340 245242961 /nfs/dbraw/zinc/24/29/61/245242961.db2.gz UPCLQODYZQFGTB-QGZVFWFLSA-N 1 3 332.492 2.592 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418750743 245274450 /nfs/dbraw/zinc/27/44/50/245274450.db2.gz PHNMBJOKYXZTJE-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)N(C)C)cc1 ZINC000111843159 220206012 /nfs/dbraw/zinc/20/60/12/220206012.db2.gz ZPIHNMWDCOZOMG-IBGZPJMESA-N 1 3 346.519 2.770 20 0 EFADHO CCCN1C[C@H](C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1=O ZINC000421893796 246155515 /nfs/dbraw/zinc/15/55/15/246155515.db2.gz XFVOKEKIFCTWMM-SJORKVTESA-N 1 3 347.503 2.536 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422143881 246271099 /nfs/dbraw/zinc/27/10/99/246271099.db2.gz QHMZTLMZOFDUOE-RBUKOAKNSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422143881 246271111 /nfs/dbraw/zinc/27/11/11/246271111.db2.gz QHMZTLMZOFDUOE-RBUKOAKNSA-N 1 3 346.519 2.587 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000422154736 246274248 /nfs/dbraw/zinc/27/42/48/246274248.db2.gz CVJUBLNBJCSEEY-SJLPKXTDSA-N 1 3 346.519 2.851 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422261358 246319746 /nfs/dbraw/zinc/31/97/46/246319746.db2.gz NENHGHVLSWMQNH-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000422567042 246388671 /nfs/dbraw/zinc/38/86/71/246388671.db2.gz VPQCFSXVNNWARG-CQSZACIVSA-N 1 3 344.381 2.722 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422897865 246504089 /nfs/dbraw/zinc/50/40/89/246504089.db2.gz KKHPPXQGFNPBMQ-VBSBHUPXSA-N 1 3 332.488 2.635 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422925561 246514756 /nfs/dbraw/zinc/51/47/56/246514756.db2.gz BAXQDQCRLDFAEW-NSHDSACASA-N 1 3 330.881 2.813 20 0 EFADHO CCOC(=O)C1([C@@H](C)NC2(c3ccccc3F)CC2)CC[NH2+]CC1 ZINC000422942639 246520107 /nfs/dbraw/zinc/52/01/07/246520107.db2.gz JKQIPJNTRVRCHF-CQSZACIVSA-N 1 3 334.435 2.726 20 0 EFADHO CN(C)c1ncc(CN2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000425338167 247048090 /nfs/dbraw/zinc/04/80/90/247048090.db2.gz PGNZFYHDFPBDAI-UHFFFAOYSA-N 1 3 333.524 2.574 20 0 EFADHO C[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427271820 247332780 /nfs/dbraw/zinc/33/27/80/247332780.db2.gz HCWBKIGLINEFEM-RBUKOAKNSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427286272 247335287 /nfs/dbraw/zinc/33/52/87/247335287.db2.gz DTCDMARUVMIEEC-JENIJYKNSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427333484 247339181 /nfs/dbraw/zinc/33/91/81/247339181.db2.gz ZTAXWDXEUBSQDZ-WSTZPKSXSA-N 1 3 343.515 2.793 20 0 EFADHO CC1(C)CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000433282725 248038270 /nfs/dbraw/zinc/03/82/70/248038270.db2.gz NFJVSRZVNFISST-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000434693717 248179439 /nfs/dbraw/zinc/17/94/39/248179439.db2.gz HGHQQXGLAVVTPN-FXAWDEMLSA-N 1 3 329.488 2.629 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000434356931 248144724 /nfs/dbraw/zinc/14/47/24/248144724.db2.gz ZWNBIXONTMZYIW-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000434356929 248145390 /nfs/dbraw/zinc/14/53/90/248145390.db2.gz ZWNBIXONTMZYIW-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO CCN(Cc1ccc(OCc2noc(C)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435395087 248236112 /nfs/dbraw/zinc/23/61/12/248236112.db2.gz QXJHJAFJENHDQZ-KRWDZBQOSA-N 1 3 344.459 2.921 20 0 EFADHO O=C(NCCN1CCCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691260 211185870 /nfs/dbraw/zinc/18/58/70/211185870.db2.gz VFSRYBXBIGWTHA-UHFFFAOYSA-N 1 3 329.488 2.888 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)CC(C)C ZINC000441187098 250005189 /nfs/dbraw/zinc/00/51/89/250005189.db2.gz FNZALVLTXHWKPL-RYRKJORJSA-N 1 3 338.540 2.667 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381331 218137876 /nfs/dbraw/zinc/13/78/76/218137876.db2.gz MLAZJYMXFLAITO-MRXNPFEDSA-N 1 3 348.487 2.791 20 0 EFADHO COc1cc(C[N@H+](C)CC2CCN(C)CC2)ccc1OC(=O)C1CC1 ZINC000093088906 218193219 /nfs/dbraw/zinc/19/32/19/218193219.db2.gz VBGKFJSKTNNHAX-UHFFFAOYSA-N 1 3 346.471 2.784 20 0 EFADHO COc1cc(C[N@@H+](C)CC2CCN(C)CC2)ccc1OC(=O)C1CC1 ZINC000093088906 218193222 /nfs/dbraw/zinc/19/32/22/218193222.db2.gz VBGKFJSKTNNHAX-UHFFFAOYSA-N 1 3 346.471 2.784 20 0 EFADHO CSc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000442799732 250121708 /nfs/dbraw/zinc/12/17/08/250121708.db2.gz ZRDWHXMMIMLZGN-HUUCEWRRSA-N 1 3 335.517 2.647 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442870454 250134026 /nfs/dbraw/zinc/13/40/26/250134026.db2.gz CYGZIPRLGJOKRD-AWEZNQCLSA-N 1 3 336.549 2.699 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442893262 250137688 /nfs/dbraw/zinc/13/76/88/250137688.db2.gz XIYFLLGQAZHPHS-DLBZAZTESA-N 1 3 325.541 2.586 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443061664 250155228 /nfs/dbraw/zinc/15/52/28/250155228.db2.gz SANZYHSNMMVQAU-IRXDYDNUSA-N 1 3 343.515 2.803 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000443070226 250156723 /nfs/dbraw/zinc/15/67/23/250156723.db2.gz KYCCSTDSVONKJC-MAUKXSAKSA-N 1 3 333.451 2.690 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000443070222 250156788 /nfs/dbraw/zinc/15/67/88/250156788.db2.gz KYCCSTDSVONKJC-CRAIPNDOSA-N 1 3 333.451 2.690 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443065274 250156848 /nfs/dbraw/zinc/15/68/48/250156848.db2.gz ZMIOVOSUVQMWPH-LSDHHAIUSA-N 1 3 337.895 2.920 20 0 EFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443068860 250157151 /nfs/dbraw/zinc/15/71/51/250157151.db2.gz ISPZVMWGQQWFEF-HUUCEWRRSA-N 1 3 326.444 2.623 20 0 EFADHO C[C@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443684822 250217911 /nfs/dbraw/zinc/21/79/11/250217911.db2.gz RSVFLPDDVCWQLW-INIZCTEOSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443959626 250241361 /nfs/dbraw/zinc/24/13/61/250241361.db2.gz IBPNNJVZZZEXMV-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000444161241 250267924 /nfs/dbraw/zinc/26/79/24/250267924.db2.gz QDUCFZKJQODICL-ZDUSSCGKSA-N 1 3 325.403 2.567 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000444161241 250267929 /nfs/dbraw/zinc/26/79/29/250267929.db2.gz QDUCFZKJQODICL-ZDUSSCGKSA-N 1 3 325.403 2.567 20 0 EFADHO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000444665813 250324996 /nfs/dbraw/zinc/32/49/96/250324996.db2.gz VGASTNOCKPNIII-QRQLOZEOSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000444665813 250325000 /nfs/dbraw/zinc/32/50/00/250325000.db2.gz VGASTNOCKPNIII-QRQLOZEOSA-N 1 3 331.504 2.916 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416841709 284768432 /nfs/dbraw/zinc/76/84/32/284768432.db2.gz MMXLJUCDOGEHKT-MSOLQXFVSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000237342420 296313776 /nfs/dbraw/zinc/31/37/76/296313776.db2.gz GWKHVEAOJLTDBR-MRXNPFEDSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1(N)CCCC1 ZINC000237342420 296313779 /nfs/dbraw/zinc/31/37/79/296313779.db2.gz GWKHVEAOJLTDBR-MRXNPFEDSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000269235367 296313415 /nfs/dbraw/zinc/31/34/15/296313415.db2.gz GIWBNHFJSGETNE-GGPKGHCWSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000269235367 296313419 /nfs/dbraw/zinc/31/34/19/296313419.db2.gz GIWBNHFJSGETNE-GGPKGHCWSA-N 1 3 343.515 2.842 20 0 EFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000449450329 251030674 /nfs/dbraw/zinc/03/06/74/251030674.db2.gz BDHGCNHOZHTJEP-YMQHIKHWSA-N 1 3 344.499 2.538 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCc2scnc2C)CC1 ZINC000449465651 251035890 /nfs/dbraw/zinc/03/58/90/251035890.db2.gz AUAOABZQTNMTGT-UHFFFAOYSA-N 1 3 344.528 2.926 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CC)[C@@H](O)CC)CC1 ZINC000449638381 251087903 /nfs/dbraw/zinc/08/79/03/251087903.db2.gz KKRYKXOGELSREO-QUCCMNQESA-N 1 3 333.520 2.858 20 0 EFADHO C[N@H+](CCCCCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000267505865 251114646 /nfs/dbraw/zinc/11/46/46/251114646.db2.gz HKBJHCDRLOECGI-NRFANRHFSA-N 1 3 348.531 2.917 20 0 EFADHO C[N@@H+](CCCCCCO)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000267505865 251114651 /nfs/dbraw/zinc/11/46/51/251114651.db2.gz HKBJHCDRLOECGI-NRFANRHFSA-N 1 3 348.531 2.917 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449725058 251131521 /nfs/dbraw/zinc/13/15/21/251131521.db2.gz ICMXRACRQJOHMR-CYBMUJFWSA-N 1 3 343.349 2.504 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)cc1)C1CC1 ZINC000449731772 251134393 /nfs/dbraw/zinc/13/43/93/251134393.db2.gz XIGNHYALEOTZJQ-HNNXBMFYSA-N 1 3 343.393 2.680 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267637166 251214201 /nfs/dbraw/zinc/21/42/01/251214201.db2.gz YOOODOLVYUFELL-FYZZASKESA-N 1 3 345.531 2.911 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449994992 251224301 /nfs/dbraw/zinc/22/43/01/251224301.db2.gz VLUIHYJKMIENJC-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267771738 251332363 /nfs/dbraw/zinc/33/23/63/251332363.db2.gz GNQJZVZTNZQBQJ-KZNAEPCWSA-N 1 3 343.515 2.744 20 0 EFADHO CCc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000450454442 251394700 /nfs/dbraw/zinc/39/47/00/251394700.db2.gz RUYJMYFAEDOFNE-FQEVSTJZSA-N 1 3 325.456 2.717 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000153051136 224051687 /nfs/dbraw/zinc/05/16/87/224051687.db2.gz FOVVZCOYKNDUSL-CFVMTHIKSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000153051136 224051690 /nfs/dbraw/zinc/05/16/90/224051690.db2.gz FOVVZCOYKNDUSL-CFVMTHIKSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000453468395 252043422 /nfs/dbraw/zinc/04/34/22/252043422.db2.gz ZECYVYYXASSFML-IJXRJRJASA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)N(C)C ZINC000454259114 252191360 /nfs/dbraw/zinc/19/13/60/252191360.db2.gz DPOJIKLNBAQAAU-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268787848 252237865 /nfs/dbraw/zinc/23/78/65/252237865.db2.gz DMXXGZZFLHEYHX-HOTGVXAUSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787848 252237869 /nfs/dbraw/zinc/23/78/69/252237869.db2.gz DMXXGZZFLHEYHX-HOTGVXAUSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)N(C)C ZINC000454406281 252252851 /nfs/dbraw/zinc/25/28/51/252252851.db2.gz GXBFWULBLWVZQV-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818506 252269805 /nfs/dbraw/zinc/26/98/05/252269805.db2.gz GWIWJZGHOHHUGT-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818506 252269811 /nfs/dbraw/zinc/26/98/11/252269811.db2.gz GWIWJZGHOHHUGT-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818506 252269814 /nfs/dbraw/zinc/26/98/14/252269814.db2.gz GWIWJZGHOHHUGT-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO Cc1nccn1CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000268853279 252301274 /nfs/dbraw/zinc/30/12/74/252301274.db2.gz KTSAOGGFQSTUJA-INIZCTEOSA-N 1 3 330.476 2.873 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268877135 252325947 /nfs/dbraw/zinc/32/59/47/252325947.db2.gz LWFHBKBAEWCOSC-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268877135 252325950 /nfs/dbraw/zinc/32/59/50/252325950.db2.gz LWFHBKBAEWCOSC-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000458846285 255784650 /nfs/dbraw/zinc/78/46/50/255784650.db2.gz JLPLYVUGSKCOAU-UHFFFAOYSA-N 1 3 336.524 2.522 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247254121 285203055 /nfs/dbraw/zinc/20/30/55/285203055.db2.gz AOPHFTAIUPZDNM-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1C1CCCC1 ZINC000449325398 285251073 /nfs/dbraw/zinc/25/10/73/285251073.db2.gz MLLMFRVZIWGTSY-LJQANCHMSA-N 1 3 347.551 2.846 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccnn1C1CCCC1 ZINC000449325398 285251074 /nfs/dbraw/zinc/25/10/74/285251074.db2.gz MLLMFRVZIWGTSY-LJQANCHMSA-N 1 3 347.551 2.846 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000154273971 224230224 /nfs/dbraw/zinc/23/02/24/224230224.db2.gz ZUESDMGBMQQHAO-AVGNSLFASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000154273971 224230228 /nfs/dbraw/zinc/23/02/28/224230228.db2.gz ZUESDMGBMQQHAO-AVGNSLFASA-N 1 3 347.286 2.805 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613227 285273911 /nfs/dbraw/zinc/27/39/11/285273911.db2.gz JJQJJQWKMRUTAY-ZWKOTPCHSA-N 1 3 334.508 2.858 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613227 285273914 /nfs/dbraw/zinc/27/39/14/285273914.db2.gz JJQJJQWKMRUTAY-ZWKOTPCHSA-N 1 3 334.508 2.858 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C)CC1 ZINC000341098152 285277384 /nfs/dbraw/zinc/27/73/84/285277384.db2.gz CQZWKPJCNMOZIL-ABHNRTSZSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCC(C)CC1 ZINC000341098152 285277389 /nfs/dbraw/zinc/27/73/89/285277389.db2.gz CQZWKPJCNMOZIL-ABHNRTSZSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccsc1 ZINC000348674452 285279238 /nfs/dbraw/zinc/27/92/38/285279238.db2.gz OCBLQIHQTKDTBL-RDJZCZTQSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccsc1 ZINC000348674452 285279241 /nfs/dbraw/zinc/27/92/41/285279241.db2.gz OCBLQIHQTKDTBL-RDJZCZTQSA-N 1 3 337.533 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000268949058 255502049 /nfs/dbraw/zinc/50/20/49/255502049.db2.gz BSOCOXKFOMZGEN-ZIAGYGMSSA-N 1 3 333.501 2.835 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1F ZINC000343320094 285279727 /nfs/dbraw/zinc/27/97/27/285279727.db2.gz PJRQZXLDAGVMPV-IRXDYDNUSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1F ZINC000343320094 285279728 /nfs/dbraw/zinc/27/97/28/285279728.db2.gz PJRQZXLDAGVMPV-IRXDYDNUSA-N 1 3 349.494 2.804 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118772815 221180561 /nfs/dbraw/zinc/18/05/61/221180561.db2.gz SWMPJGXSSMJUJA-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CC1CCC(N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000119701707 221381823 /nfs/dbraw/zinc/38/18/23/221381823.db2.gz SOPTXECDVJPIOF-NKELODKYSA-N 1 3 329.488 2.799 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1)C1CC1 ZINC000299740197 258009717 /nfs/dbraw/zinc/00/97/17/258009717.db2.gz WUMFHOBIZZXBQD-HNAYVOBHSA-N 1 3 329.488 2.870 20 0 EFADHO COc1ccc2c(c1)[C@H](NCCN1CCC([NH+](C)C)CC1)CCS2 ZINC000191522153 533296603 /nfs/dbraw/zinc/29/66/03/533296603.db2.gz IRGVCUIBGVREJC-GOSISDBHSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCCCC1 ZINC000178409089 533449439 /nfs/dbraw/zinc/44/94/39/533449439.db2.gz VSZGJRJRPHMCCE-AWEZNQCLSA-N 1 3 338.883 2.918 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C[NH+](C)C ZINC000132100952 533449646 /nfs/dbraw/zinc/44/96/46/533449646.db2.gz NJPFTPKCMRJXJQ-LBPRGKRZSA-N 1 3 326.872 2.630 20 0 EFADHO C/C(=C/c1ccccc1)CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344227500 533391814 /nfs/dbraw/zinc/39/18/14/533391814.db2.gz YPVWQEYEDBLFAN-ICFOKQHNSA-N 1 3 329.488 2.622 20 0 EFADHO CSCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168665925 533603125 /nfs/dbraw/zinc/60/31/25/533603125.db2.gz UXUCNNQHTZFVGP-DOTOQJQBSA-N 1 3 349.544 2.847 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCCC1CC[NH+](C)CC1 ZINC000183556834 533571034 /nfs/dbraw/zinc/57/10/34/533571034.db2.gz PBNCQSRLAJDKNY-OAHLLOKOSA-N 1 3 334.460 2.621 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166678154 533604629 /nfs/dbraw/zinc/60/46/29/533604629.db2.gz CUQBVPBXWMMQQV-GOSISDBHSA-N 1 3 349.544 2.759 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166678042 533646698 /nfs/dbraw/zinc/64/66/98/533646698.db2.gz CUQBVPBXWMMQQV-SFHVURJKSA-N 1 3 349.544 2.759 20 0 EFADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)c2nc3ccccc3o2)CC1 ZINC000181097141 533666410 /nfs/dbraw/zinc/66/64/10/533666410.db2.gz BIYJKPQMQBSQFM-CABCVRRESA-N 1 3 331.460 2.913 20 0 EFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000108992375 141360415 /nfs/dbraw/zinc/36/04/15/141360415.db2.gz PRZPBQGHRCWUFT-OAHLLOKOSA-N 1 3 347.478 2.604 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC000343537254 142014253 /nfs/dbraw/zinc/01/42/53/142014253.db2.gz LOFBYJSCMWYPOC-NVXWUHKLSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC000343537254 142014254 /nfs/dbraw/zinc/01/42/54/142014254.db2.gz LOFBYJSCMWYPOC-NVXWUHKLSA-N 1 3 333.476 2.828 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)N(CC)CC ZINC000345987727 142129046 /nfs/dbraw/zinc/12/90/46/142129046.db2.gz UEYQEAAYXURVSU-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000346203656 142166811 /nfs/dbraw/zinc/16/68/11/142166811.db2.gz RQYROOIJLPNHMX-NVXWUHKLSA-N 1 3 334.460 2.642 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000346203659 142167142 /nfs/dbraw/zinc/16/71/42/142167142.db2.gz RQYROOIJLPNHMX-WBVHZDCISA-N 1 3 334.460 2.642 20 0 EFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233001 142172577 /nfs/dbraw/zinc/17/25/77/142172577.db2.gz VNSYHYMQQZFPQL-BXWFABGCSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233001 142172578 /nfs/dbraw/zinc/17/25/78/142172578.db2.gz VNSYHYMQQZFPQL-BXWFABGCSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000346255382 142177706 /nfs/dbraw/zinc/17/77/06/142177706.db2.gz CRFSHAKEBXIQQM-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000346339265 142191605 /nfs/dbraw/zinc/19/16/05/142191605.db2.gz PIXZEFXYGCNLER-OTWHNJEPSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000346339265 142191606 /nfs/dbraw/zinc/19/16/06/142191606.db2.gz PIXZEFXYGCNLER-OTWHNJEPSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347534407 142232120 /nfs/dbraw/zinc/23/21/20/142232120.db2.gz PLNGDVLQEWKAHU-HOTGVXAUSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@@H](CCNC(=O)c1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000347543786 142233315 /nfs/dbraw/zinc/23/33/15/142233315.db2.gz ZAWZQUJFBROGBR-INIZCTEOSA-N 1 3 337.467 2.930 20 0 EFADHO C[C@@H](CCNC(=O)c1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000347543786 142233316 /nfs/dbraw/zinc/23/33/16/142233316.db2.gz ZAWZQUJFBROGBR-INIZCTEOSA-N 1 3 337.467 2.930 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1)C1CC1 ZINC000348082954 142318999 /nfs/dbraw/zinc/31/89/99/142318999.db2.gz ZRTAKFXZZQGLGH-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1)C1CC1 ZINC000348082954 142319001 /nfs/dbraw/zinc/31/90/01/142319001.db2.gz ZRTAKFXZZQGLGH-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000349593465 142339384 /nfs/dbraw/zinc/33/93/84/142339384.db2.gz ZWZMZYNVTWKZMU-LPHOPBHVSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@H](C)CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349611327 142340012 /nfs/dbraw/zinc/34/00/12/142340012.db2.gz NSQISQJTDJESJM-KZNAEPCWSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@H](C)CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349611327 142340013 /nfs/dbraw/zinc/34/00/13/142340013.db2.gz NSQISQJTDJESJM-KZNAEPCWSA-N 1 3 331.504 2.886 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@H]2NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000349827590 142364429 /nfs/dbraw/zinc/36/44/29/142364429.db2.gz JOTTWVCLSVBUOX-PKOBYXMFSA-N 1 3 343.515 2.858 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@H]2NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000349827590 142364431 /nfs/dbraw/zinc/36/44/31/142364431.db2.gz JOTTWVCLSVBUOX-PKOBYXMFSA-N 1 3 343.515 2.858 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000341278110 145024774 /nfs/dbraw/zinc/02/47/74/145024774.db2.gz UIMHDEMSVQOYAF-OXJNMPFZSA-N 1 3 331.504 2.589 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341328224 145033730 /nfs/dbraw/zinc/03/37/30/145033730.db2.gz WVMIMTRQNWKKJN-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341328224 145033731 /nfs/dbraw/zinc/03/37/31/145033731.db2.gz WVMIMTRQNWKKJN-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]21 ZINC000342112415 145064031 /nfs/dbraw/zinc/06/40/31/145064031.db2.gz VXRSFPOSSSKPGN-IXDOHACOSA-N 1 3 326.444 2.728 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H](CO)C2)CC1 ZINC000342237217 145085769 /nfs/dbraw/zinc/08/57/69/145085769.db2.gz CFMGHUGNZGAIMN-RBUKOAKNSA-N 1 3 345.531 2.717 20 0 EFADHO CO[C@@H]1C[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000423173643 285862373 /nfs/dbraw/zinc/86/23/73/285862373.db2.gz ZNJFCIDBADVDEA-LULLPPNCSA-N 1 3 328.456 2.790 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000342819701 145201309 /nfs/dbraw/zinc/20/13/09/145201309.db2.gz DGJQZZNZUNXCIW-RTWAWAEBSA-N 1 3 343.515 2.972 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000342819701 145201311 /nfs/dbraw/zinc/20/13/11/145201311.db2.gz DGJQZZNZUNXCIW-RTWAWAEBSA-N 1 3 343.515 2.972 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000342906068 145218622 /nfs/dbraw/zinc/21/86/22/145218622.db2.gz FPRHQRPGOMHFCM-QGZVFWFLSA-N 1 3 336.524 2.650 20 0 EFADHO [NH3+]CC1CCC(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000343639409 145259232 /nfs/dbraw/zinc/25/92/32/145259232.db2.gz KNRFKMQGISMCJS-UHFFFAOYSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]1CN(Cc2ccc3c(c2)CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871893 145313445 /nfs/dbraw/zinc/31/34/45/145313445.db2.gz IWVHQRAFINKZPA-LAUBAEHRSA-N 1 3 327.516 2.633 20 0 EFADHO C[C@H]1CN(Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871895 145313644 /nfs/dbraw/zinc/31/36/44/145313644.db2.gz IWVHQRAFINKZPA-UWJYYQICSA-N 1 3 327.516 2.633 20 0 EFADHO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343924361 145325499 /nfs/dbraw/zinc/32/54/99/145325499.db2.gz NLGRPVZPPKJUQQ-ICSRJNTNSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343924361 145325501 /nfs/dbraw/zinc/32/55/01/145325501.db2.gz NLGRPVZPPKJUQQ-ICSRJNTNSA-N 1 3 345.531 2.932 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2COc3ccccc32)[C@@H](C)C1 ZINC000344009905 145344302 /nfs/dbraw/zinc/34/43/02/145344302.db2.gz ZPOHFJDLIUNZPX-SCTDSRPQSA-N 1 3 332.488 2.889 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2COc3ccccc32)[C@@H](C)C1 ZINC000344009905 145344306 /nfs/dbraw/zinc/34/43/06/145344306.db2.gz ZPOHFJDLIUNZPX-SCTDSRPQSA-N 1 3 332.488 2.889 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2COc3ccccc32)[C@H](C)C1 ZINC000344009898 145344625 /nfs/dbraw/zinc/34/46/25/145344625.db2.gz ZPOHFJDLIUNZPX-AOIWGVFYSA-N 1 3 332.488 2.889 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2COc3ccccc32)[C@H](C)C1 ZINC000344009898 145344626 /nfs/dbraw/zinc/34/46/26/145344626.db2.gz ZPOHFJDLIUNZPX-AOIWGVFYSA-N 1 3 332.488 2.889 20 0 EFADHO CN(CCCN(C)Cc1csc(Br)c1)CC[NH+](C)C ZINC000344040568 145353132 /nfs/dbraw/zinc/35/31/32/145353132.db2.gz VLQZFRQZGUCPBQ-UHFFFAOYSA-N 1 3 348.354 2.826 20 0 EFADHO CC(C)O[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344124535 145373817 /nfs/dbraw/zinc/37/38/17/145373817.db2.gz XDHVNAWPCDLCCP-ZWKOTPCHSA-N 1 3 335.492 2.704 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](CCN(C)C)CC(C)C)CC1 ZINC000348904107 146022226 /nfs/dbraw/zinc/02/22/26/146022226.db2.gz KWIDUCDKQNATJH-UHFFFAOYSA-N 1 3 346.563 2.848 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](CCN(C)C)CC(C)C)CC1 ZINC000348904107 146022228 /nfs/dbraw/zinc/02/22/28/146022228.db2.gz KWIDUCDKQNATJH-UHFFFAOYSA-N 1 3 346.563 2.848 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCCc1ccc(C)nc1)CCN(C)C ZINC000349061308 146045785 /nfs/dbraw/zinc/04/57/85/146045785.db2.gz IODDOOHMWHIGRY-HXUWFJFHSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCCc1ccc(C)nc1)CCN(C)C ZINC000349061308 146045786 /nfs/dbraw/zinc/04/57/86/146045786.db2.gz IODDOOHMWHIGRY-HXUWFJFHSA-N 1 3 332.536 2.671 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349142059 146058354 /nfs/dbraw/zinc/05/83/54/146058354.db2.gz HFLQVTVHGMOIGR-MSOLQXFVSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349142061 146058728 /nfs/dbraw/zinc/05/87/28/146058728.db2.gz HFLQVTVHGMOIGR-ROUUACIJSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000350895599 146099871 /nfs/dbraw/zinc/09/98/71/146099871.db2.gz FKISTUHTYTYFQR-LPHOPBHVSA-N 1 3 346.519 2.661 20 0 EFADHO C[N@H+](C[C@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000351487524 146129023 /nfs/dbraw/zinc/12/90/23/146129023.db2.gz CFJPFQROGAKGRM-FQEVSTJZSA-N 1 3 344.499 2.821 20 0 EFADHO C[N@@H+](C[C@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000351487524 146129025 /nfs/dbraw/zinc/12/90/25/146129025.db2.gz CFJPFQROGAKGRM-FQEVSTJZSA-N 1 3 344.499 2.821 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000351496416 146131824 /nfs/dbraw/zinc/13/18/24/146131824.db2.gz RRYFLTQVFURGET-NWANDNLSSA-N 1 3 332.835 2.602 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351608316 146158286 /nfs/dbraw/zinc/15/82/86/146158286.db2.gz ZHJBVBDWFRWFSS-QWFCFKBJSA-N 1 3 332.488 2.730 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000351608316 146158288 /nfs/dbraw/zinc/15/82/88/146158288.db2.gz ZHJBVBDWFRWFSS-QWFCFKBJSA-N 1 3 332.488 2.730 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000351776361 146201159 /nfs/dbraw/zinc/20/11/59/146201159.db2.gz TUKPCICOVUYAGM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000351776361 146201160 /nfs/dbraw/zinc/20/11/60/146201160.db2.gz TUKPCICOVUYAGM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000351882033 146225331 /nfs/dbraw/zinc/22/53/31/146225331.db2.gz OCYRSJSCUPAHFX-QGZVFWFLSA-N 1 3 349.494 2.695 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000352969340 146361931 /nfs/dbraw/zinc/36/19/31/146361931.db2.gz RLNIQAQEBJCNBL-WFASDCNBSA-N 1 3 326.282 2.791 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000352969340 146361933 /nfs/dbraw/zinc/36/19/33/146361933.db2.gz RLNIQAQEBJCNBL-WFASDCNBSA-N 1 3 326.282 2.791 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353449047 146482358 /nfs/dbraw/zinc/48/23/58/146482358.db2.gz NAKGTKKMYJKGRI-IPELMVKDSA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000355792453 147065280 /nfs/dbraw/zinc/06/52/80/147065280.db2.gz VYWMNTCQKGRIIK-UHFFFAOYSA-N 1 3 348.535 2.879 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000355957186 147108810 /nfs/dbraw/zinc/10/88/10/147108810.db2.gz GMQLEEBDXXEOJP-GOSISDBHSA-N 1 3 340.556 2.867 20 0 EFADHO CSC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC1 ZINC000356219073 147179492 /nfs/dbraw/zinc/17/94/92/147179492.db2.gz GIGWMSAHYHOHQK-IAGOWNOFSA-N 1 3 325.566 2.763 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000356226581 147181524 /nfs/dbraw/zinc/18/15/24/147181524.db2.gz TWPPPNRZBMUOEQ-RCCFBDPRSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000356226581 147181525 /nfs/dbraw/zinc/18/15/25/147181525.db2.gz TWPPPNRZBMUOEQ-RCCFBDPRSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000356809460 147341806 /nfs/dbraw/zinc/34/18/06/147341806.db2.gz PEUXZPUHSNHUMW-AWEZNQCLSA-N 1 3 331.460 2.953 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000356809460 147341808 /nfs/dbraw/zinc/34/18/08/147341808.db2.gz PEUXZPUHSNHUMW-AWEZNQCLSA-N 1 3 331.460 2.953 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCCOC1 ZINC000356884212 147362937 /nfs/dbraw/zinc/36/29/37/147362937.db2.gz WHHOKHSLVZLECZ-LPHOPBHVSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000357300955 147485345 /nfs/dbraw/zinc/48/53/45/147485345.db2.gz HFZMXZUFCBTGHP-APWZRJJASA-N 1 3 346.519 2.661 20 0 EFADHO COc1cccc([C@H](C)N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359227389 148029143 /nfs/dbraw/zinc/02/91/43/148029143.db2.gz WFLNEFQVJGXZOG-KRWDZBQOSA-N 1 3 331.504 2.764 20 0 EFADHO Cc1ccc([C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000359369173 148068919 /nfs/dbraw/zinc/06/89/19/148068919.db2.gz GYNLZZCBFSEXAP-MOPGFXCFSA-N 1 3 329.488 2.623 20 0 EFADHO Cc1ccc([C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000359369173 148068921 /nfs/dbraw/zinc/06/89/21/148068921.db2.gz GYNLZZCBFSEXAP-MOPGFXCFSA-N 1 3 329.488 2.623 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](COC)CC(C)C)CC1 ZINC000360022377 148252504 /nfs/dbraw/zinc/25/25/04/148252504.db2.gz HWZFDNQHKACCMC-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000360214341 148301332 /nfs/dbraw/zinc/30/13/32/148301332.db2.gz VOXQCHCKMGRCAM-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360306539 148325874 /nfs/dbraw/zinc/32/58/74/148325874.db2.gz BQRNIILUGGFBST-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[N@H+](C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360306539 148325875 /nfs/dbraw/zinc/32/58/75/148325875.db2.gz BQRNIILUGGFBST-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360306539 148325877 /nfs/dbraw/zinc/32/58/77/148325877.db2.gz BQRNIILUGGFBST-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000360306539 148325878 /nfs/dbraw/zinc/32/58/78/148325878.db2.gz BQRNIILUGGFBST-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360363716 148341783 /nfs/dbraw/zinc/34/17/83/148341783.db2.gz ZYYLJVTWGMTWIC-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360363716 148341784 /nfs/dbraw/zinc/34/17/84/148341784.db2.gz ZYYLJVTWGMTWIC-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CO[C@H]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000091772616 286042125 /nfs/dbraw/zinc/04/21/25/286042125.db2.gz NSHKUEQHKLXBHJ-IBGZPJMESA-N 1 3 331.504 2.828 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(OCCN(C)C)c1 ZINC000363759066 149008231 /nfs/dbraw/zinc/00/82/31/149008231.db2.gz TYYCJTOSCAWWLN-RHSMWYFYSA-N 1 3 328.460 2.558 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCO2 ZINC000363783169 149012163 /nfs/dbraw/zinc/01/21/63/149012163.db2.gz JABXFARHDZFZND-ICSRJNTNSA-N 1 3 343.515 2.831 20 0 EFADHO CCOc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363796401 149013625 /nfs/dbraw/zinc/01/36/25/149013625.db2.gz CEESJYBKMJKTNY-UHFFFAOYSA-N 1 3 345.531 2.935 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000363816022 149015765 /nfs/dbraw/zinc/01/57/65/149015765.db2.gz GOBWBDFXZURJED-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000363816020 149015770 /nfs/dbraw/zinc/01/57/70/149015770.db2.gz GOBWBDFXZURJED-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000363866046 149023571 /nfs/dbraw/zinc/02/35/71/149023571.db2.gz VNBAMDCEIVTPJX-QZTJIDSGSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000363866046 149023572 /nfs/dbraw/zinc/02/35/72/149023572.db2.gz VNBAMDCEIVTPJX-QZTJIDSGSA-N 1 3 343.515 2.854 20 0 EFADHO CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000364647263 149206953 /nfs/dbraw/zinc/20/69/53/149206953.db2.gz PMQNCEJQYSHIFX-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368040902 150017765 /nfs/dbraw/zinc/01/77/65/150017765.db2.gz JEWIMJRRAIGJMN-IKGGRYGDSA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000368040902 150017769 /nfs/dbraw/zinc/01/77/69/150017769.db2.gz JEWIMJRRAIGJMN-IKGGRYGDSA-N 1 3 349.519 2.992 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368075727 150027281 /nfs/dbraw/zinc/02/72/81/150027281.db2.gz ZRNLQEGXLQWNLN-PMACEKPBSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1nccc1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368075727 150027283 /nfs/dbraw/zinc/02/72/83/150027283.db2.gz ZRNLQEGXLQWNLN-PMACEKPBSA-N 1 3 338.499 2.899 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000368115666 150041334 /nfs/dbraw/zinc/04/13/34/150041334.db2.gz PHOZDMWIXPXNOG-ZCNNSNEGSA-N 1 3 343.515 2.821 20 0 EFADHO CN(CCC[NH+]1CCCC1)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368480478 150128298 /nfs/dbraw/zinc/12/82/98/150128298.db2.gz BJSZWDKFMGMGDA-SFHVURJKSA-N 1 3 329.488 2.566 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368566644 150150442 /nfs/dbraw/zinc/15/04/42/150150442.db2.gz JKTSKDQCDQHNDO-UHFFFAOYSA-N 1 3 332.488 2.910 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368566644 150150444 /nfs/dbraw/zinc/15/04/44/150150444.db2.gz JKTSKDQCDQHNDO-UHFFFAOYSA-N 1 3 332.488 2.910 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1 ZINC000368926476 150237217 /nfs/dbraw/zinc/23/72/17/150237217.db2.gz PBMXAXGQNNPWJG-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000369185757 150295792 /nfs/dbraw/zinc/29/57/92/150295792.db2.gz ACRGNLSSTQNACC-UXHICEINSA-N 1 3 337.552 2.541 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000369185757 150295793 /nfs/dbraw/zinc/29/57/93/150295793.db2.gz ACRGNLSSTQNACC-UXHICEINSA-N 1 3 337.552 2.541 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000369669074 150420682 /nfs/dbraw/zinc/42/06/82/150420682.db2.gz WTODWAPECBJZFB-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000166030761 286198592 /nfs/dbraw/zinc/19/85/92/286198592.db2.gz LVTKQKQJVDYKNR-ZBFHGGJFSA-N 1 3 325.472 2.899 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1OC ZINC000414773499 286218707 /nfs/dbraw/zinc/21/87/07/286218707.db2.gz DLLWZIJLHMOKEP-HZPDHXFCSA-N 1 3 334.460 2.534 20 0 EFADHO CCC[NH+]1CCC(NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1 ZINC000372528562 151022888 /nfs/dbraw/zinc/02/28/88/151022888.db2.gz ACURJJXOZVRCNH-CVEARBPZSA-N 1 3 334.464 2.631 20 0 EFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)C1 ZINC000372689077 151046378 /nfs/dbraw/zinc/04/63/78/151046378.db2.gz JOAPOZYCOYUCCZ-KBWCOIMZSA-N 1 3 344.499 2.835 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000372984014 151092619 /nfs/dbraw/zinc/09/26/19/151092619.db2.gz SNRLULVOTMZJBC-LJQANCHMSA-N 1 3 348.535 2.710 20 0 EFADHO C[C@H](CCNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCCCC1 ZINC000373257441 151142293 /nfs/dbraw/zinc/14/22/93/151142293.db2.gz DUUJRZQGBGHZCM-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO COc1cc(NCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422997774 286238268 /nfs/dbraw/zinc/23/82/68/286238268.db2.gz BWTOHMBLHDNTRS-QRVBRYPASA-N 1 3 333.476 2.626 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000373844479 151235794 /nfs/dbraw/zinc/23/57/94/151235794.db2.gz ZDUAUPVPJIKWPM-AZUAARDMSA-N 1 3 338.499 2.952 20 0 EFADHO C[NH+]1CCC2(CCCN([C@H](C(=O)NC3CC3)c3ccccc3)C2)CC1 ZINC000374067505 151278425 /nfs/dbraw/zinc/27/84/25/151278425.db2.gz GZNGZRISHAZCLO-IBGZPJMESA-N 1 3 341.499 2.814 20 0 EFADHO CSc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374299993 151317351 /nfs/dbraw/zinc/31/73/51/151317351.db2.gz ZXSLQAKPPTTXSI-LPHOPBHVSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374299993 151317353 /nfs/dbraw/zinc/31/73/53/151317353.db2.gz ZXSLQAKPPTTXSI-LPHOPBHVSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374299995 151317958 /nfs/dbraw/zinc/31/79/58/151317958.db2.gz ZXSLQAKPPTTXSI-QFBILLFUSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374299995 151317961 /nfs/dbraw/zinc/31/79/61/151317961.db2.gz ZXSLQAKPPTTXSI-QFBILLFUSA-N 1 3 333.545 2.866 20 0 EFADHO COCC1(CN[C@@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]CC1 ZINC000423409593 292246903 /nfs/dbraw/zinc/24/69/03/292246903.db2.gz QNSVYRDKEOVYPS-IBGZPJMESA-N 1 3 343.446 2.916 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C12CCCCC2 ZINC000362033253 286290172 /nfs/dbraw/zinc/29/01/72/286290172.db2.gz SXKQRNLWWOCAOR-MISYRCLQSA-N 1 3 349.563 2.872 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320856 286372364 /nfs/dbraw/zinc/37/23/64/286372364.db2.gz QKRHZSRWVBCMQJ-MSOLQXFVSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320856 286372367 /nfs/dbraw/zinc/37/23/67/286372367.db2.gz QKRHZSRWVBCMQJ-MSOLQXFVSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320856 286372370 /nfs/dbraw/zinc/37/23/70/286372370.db2.gz QKRHZSRWVBCMQJ-MSOLQXFVSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770739 286373103 /nfs/dbraw/zinc/37/31/03/286373103.db2.gz WOZPSGOZPHSRDE-IHPCNDPISA-N 1 3 331.504 2.939 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430948129 286908558 /nfs/dbraw/zinc/90/85/58/286908558.db2.gz DVFXLSAJJRNJFV-APWZRJJASA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416788521 286922410 /nfs/dbraw/zinc/92/24/10/286922410.db2.gz BPLOQNWHMHDHPJ-VQIMIIECSA-N 1 3 344.503 2.562 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000353555077 287010221 /nfs/dbraw/zinc/01/02/21/287010221.db2.gz YSXXBCQQIOTSMQ-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1C/C=C\C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308485 287111941 /nfs/dbraw/zinc/11/19/41/287111941.db2.gz KHWUXWPUEWLEPH-HXQAACQPSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1C/C=C\C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308485 287111943 /nfs/dbraw/zinc/11/19/43/287111943.db2.gz KHWUXWPUEWLEPH-HXQAACQPSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308485 287111945 /nfs/dbraw/zinc/11/19/45/287111945.db2.gz KHWUXWPUEWLEPH-HXQAACQPSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308485 287111948 /nfs/dbraw/zinc/11/19/48/287111948.db2.gz KHWUXWPUEWLEPH-HXQAACQPSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743349 287273711 /nfs/dbraw/zinc/27/37/11/287273711.db2.gz FNKJUKNUFMCAGV-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743349 287273713 /nfs/dbraw/zinc/27/37/13/287273713.db2.gz FNKJUKNUFMCAGV-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCCCS(C)(=O)=O)CC1 ZINC000373460859 287310818 /nfs/dbraw/zinc/31/08/18/287310818.db2.gz KXWOXEXSVXDMAE-SJLPKXTDSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000373460859 287310823 /nfs/dbraw/zinc/31/08/23/287310823.db2.gz KXWOXEXSVXDMAE-SJLPKXTDSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000359387077 287311427 /nfs/dbraw/zinc/31/14/27/287311427.db2.gz AQVWESSHJGYMTB-NSISKUIASA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H](CCO)C2CCOCC2)CC1 ZINC000359387077 287311430 /nfs/dbraw/zinc/31/14/30/287311430.db2.gz AQVWESSHJGYMTB-NSISKUIASA-N 1 3 338.536 2.797 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000158129417 224955114 /nfs/dbraw/zinc/95/51/14/224955114.db2.gz SVWGLWYFLNEJDZ-SFHVURJKSA-N 1 3 334.508 2.579 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000338293168 287344321 /nfs/dbraw/zinc/34/43/21/287344321.db2.gz WXGISIFAQLKNOJ-DLBZAZTESA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000338293168 287344322 /nfs/dbraw/zinc/34/43/22/287344322.db2.gz WXGISIFAQLKNOJ-DLBZAZTESA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000345692119 287355737 /nfs/dbraw/zinc/35/57/37/287355737.db2.gz MIUGXWZUIOFNMJ-CJNGLKHVSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000345692119 287355739 /nfs/dbraw/zinc/35/57/39/287355739.db2.gz MIUGXWZUIOFNMJ-CJNGLKHVSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000165117163 226110545 /nfs/dbraw/zinc/11/05/45/226110545.db2.gz DKVXCEHLQZLXAU-LNLFQRSKSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000165117163 226110548 /nfs/dbraw/zinc/11/05/48/226110548.db2.gz DKVXCEHLQZLXAU-LNLFQRSKSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165687413 226133209 /nfs/dbraw/zinc/13/32/09/226133209.db2.gz SSFGZHJOBCZJCQ-QXAKKESOSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123406824 222272550 /nfs/dbraw/zinc/27/25/50/222272550.db2.gz PWFLHJVMCXXIQT-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cscc1C ZINC000123599092 222303277 /nfs/dbraw/zinc/30/32/77/222303277.db2.gz OYGKOIFDHGEQNE-HNNXBMFYSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cscc1C ZINC000123599092 222303279 /nfs/dbraw/zinc/30/32/79/222303279.db2.gz OYGKOIFDHGEQNE-HNNXBMFYSA-N 1 3 338.521 2.936 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000171658066 227201876 /nfs/dbraw/zinc/20/18/76/227201876.db2.gz DPMCCRKBYGGKQJ-UHFFFAOYSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000090919407 544534666 /nfs/dbraw/zinc/53/46/66/544534666.db2.gz MIOZGYJNPDZGQS-YOEHRIQHSA-N 1 3 333.451 2.641 20 0 EFADHO CC(C)C[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)C(=O)Nc1nccs1 ZINC000090987537 544535205 /nfs/dbraw/zinc/53/52/05/544535205.db2.gz UYSGESQDVDHPAW-DZGCQCFKSA-N 1 3 338.521 2.816 20 0 EFADHO CN(CCOC1CCCCCC1)CC[N@H+](C)C1CCN(C)CC1 ZINC000089269195 544524147 /nfs/dbraw/zinc/52/41/47/544524147.db2.gz YGUITUKZFICGKM-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO CN(CCOC1CCCCCC1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000089269195 544524149 /nfs/dbraw/zinc/52/41/49/544524149.db2.gz YGUITUKZFICGKM-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000090219309 544530774 /nfs/dbraw/zinc/53/07/74/544530774.db2.gz WASVIOBSJMYJFS-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@H](CCO)C1)C1CCN(C)CC1 ZINC000093106659 544551638 /nfs/dbraw/zinc/55/16/38/544551638.db2.gz ZKFAWLXSDDFJGN-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@H](CCO)C1)C1CCN(C)CC1 ZINC000093106659 544551641 /nfs/dbraw/zinc/55/16/41/544551641.db2.gz ZKFAWLXSDDFJGN-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093741970 544556119 /nfs/dbraw/zinc/55/61/19/544556119.db2.gz AWYIYCWULWHHNM-LJQANCHMSA-N 1 3 333.520 2.791 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093741970 544556126 /nfs/dbraw/zinc/55/61/26/544556126.db2.gz AWYIYCWULWHHNM-LJQANCHMSA-N 1 3 333.520 2.791 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000119439745 544577704 /nfs/dbraw/zinc/57/77/04/544577704.db2.gz CTNVDJQFGINTLM-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000125447980 544616578 /nfs/dbraw/zinc/61/65/78/544616578.db2.gz VQWHAMFIMHITOC-OAQYLSRUSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000165726884 544848896 /nfs/dbraw/zinc/84/88/96/544848896.db2.gz HCOKGMCRGWJJSY-LJQANCHMSA-N 1 3 331.504 2.964 20 0 EFADHO O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166155256 544850855 /nfs/dbraw/zinc/85/08/55/544850855.db2.gz ZSFCAHPBXYXSMR-IAGOWNOFSA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166155256 544850859 /nfs/dbraw/zinc/85/08/59/544850859.db2.gz ZSFCAHPBXYXSMR-IAGOWNOFSA-N 1 3 345.462 2.647 20 0 EFADHO O=C(c1ccccc1F)N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166155256 544850862 /nfs/dbraw/zinc/85/08/62/544850862.db2.gz ZSFCAHPBXYXSMR-IAGOWNOFSA-N 1 3 345.462 2.647 20 0 EFADHO FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166774778 544851207 /nfs/dbraw/zinc/85/12/07/544851207.db2.gz SYLQIDHRFOLTJP-HZPDHXFCSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166774778 544851214 /nfs/dbraw/zinc/85/12/14/544851214.db2.gz SYLQIDHRFOLTJP-HZPDHXFCSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166774778 544851216 /nfs/dbraw/zinc/85/12/16/544851216.db2.gz SYLQIDHRFOLTJP-HZPDHXFCSA-N 1 3 333.442 2.867 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000277197936 273149948 /nfs/dbraw/zinc/14/99/48/273149948.db2.gz MILIGJOAINSQNH-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000277197936 273149950 /nfs/dbraw/zinc/14/99/50/273149950.db2.gz MILIGJOAINSQNH-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCOCC2 ZINC000186213282 265058144 /nfs/dbraw/zinc/05/81/44/265058144.db2.gz PKAYRHXHCNPTIR-OALUTQOASA-N 1 3 332.488 2.812 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)N1CCCCC1 ZINC000190100814 265208877 /nfs/dbraw/zinc/20/88/77/265208877.db2.gz WUQWGDXMNOQVOY-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000190097053 265209379 /nfs/dbraw/zinc/20/93/79/265209379.db2.gz HMWRJRYBYNLDCA-IBGZPJMESA-N 1 3 346.519 2.807 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495617 265265886 /nfs/dbraw/zinc/26/58/86/265265886.db2.gz QHEZFCNIGYYVKJ-MAUKXSAKSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@H]1CCN(CCOCC[N@@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192187790 265287688 /nfs/dbraw/zinc/28/76/88/265287688.db2.gz JJQIOOAVLZIAEV-HOTGVXAUSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@H]1CCN(CCOCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192187790 265287692 /nfs/dbraw/zinc/28/76/92/265287692.db2.gz JJQIOOAVLZIAEV-HOTGVXAUSA-N 1 3 332.579 2.658 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000192640769 265303562 /nfs/dbraw/zinc/30/35/62/265303562.db2.gz VOCFHWSBMWCPPZ-YQQQUEKLSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[NH+]1CCN(CCCN(Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000192725305 265304893 /nfs/dbraw/zinc/30/48/93/265304893.db2.gz QWTPXFUGJPETEU-FQEVSTJZSA-N 1 3 349.519 2.677 20 0 EFADHO CO[C@]1(C)C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192750742 265307220 /nfs/dbraw/zinc/30/72/20/265307220.db2.gz PZZNMHRCMNYSEQ-IEBWSBKVSA-N 1 3 325.541 2.538 20 0 EFADHO CO[C@]1(C)C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192750742 265307225 /nfs/dbraw/zinc/30/72/25/265307225.db2.gz PZZNMHRCMNYSEQ-IEBWSBKVSA-N 1 3 325.541 2.538 20 0 EFADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745272 265307434 /nfs/dbraw/zinc/30/74/34/265307434.db2.gz LMFBLPYAISVCHL-MSOLQXFVSA-N 1 3 325.541 2.538 20 0 EFADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745272 265307439 /nfs/dbraw/zinc/30/74/39/265307439.db2.gz LMFBLPYAISVCHL-MSOLQXFVSA-N 1 3 325.541 2.538 20 0 EFADHO COCC[N@H+](C)CCCN[C@H]1CCc2ccc(Br)cc21 ZINC000193974255 265355599 /nfs/dbraw/zinc/35/55/99/265355599.db2.gz NCPJBKKQFGSYNX-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H]1CCc2ccc(Br)cc21 ZINC000193974255 265355602 /nfs/dbraw/zinc/35/56/02/265355602.db2.gz NCPJBKKQFGSYNX-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000194097369 265362670 /nfs/dbraw/zinc/36/26/70/265362670.db2.gz NCIVRVFIGOSDOZ-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000194097369 265362671 /nfs/dbraw/zinc/36/26/71/265362671.db2.gz NCIVRVFIGOSDOZ-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C(C)C ZINC000194097369 265362673 /nfs/dbraw/zinc/36/26/73/265362673.db2.gz NCIVRVFIGOSDOZ-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000271553179 266006037 /nfs/dbraw/zinc/00/60/37/266006037.db2.gz VEVBQDLKXNQHQI-VHKYSDTDSA-N 1 3 345.487 2.673 20 0 EFADHO C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000271665942 266036367 /nfs/dbraw/zinc/03/63/67/266036367.db2.gz HSDYFWKVENARDQ-APWZRJJASA-N 1 3 348.487 2.963 20 0 EFADHO c1ccc(CC[NH+]2CCC(NC[C@@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000271676475 266039091 /nfs/dbraw/zinc/03/90/91/266039091.db2.gz IWXMNUXGKCIWEX-HXUWFJFHSA-N 1 3 344.499 2.969 20 0 EFADHO CC[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000271719387 266048732 /nfs/dbraw/zinc/04/87/32/266048732.db2.gz PTEMQZFZEPKSPJ-GOSISDBHSA-N 1 3 330.476 2.644 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000271857086 266079840 /nfs/dbraw/zinc/07/98/40/266079840.db2.gz JLWWYDICRLKHEV-VQTJNVASSA-N 1 3 346.515 2.937 20 0 EFADHO COCCN1CCC([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272319079 266228296 /nfs/dbraw/zinc/22/82/96/266228296.db2.gz KPKVUTNXEVIKGY-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H]([NH2+]CCN(C)CC(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272554026 266304530 /nfs/dbraw/zinc/30/45/30/266304530.db2.gz FSKFHDLFGSQSQD-RDJZCZTQSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@H](NCCN(C)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554026 266304534 /nfs/dbraw/zinc/30/45/34/266304534.db2.gz FSKFHDLFGSQSQD-RDJZCZTQSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@H](NCCN(C)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554026 266304538 /nfs/dbraw/zinc/30/45/38/266304538.db2.gz FSKFHDLFGSQSQD-RDJZCZTQSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccccc1OCC[NH+](C)C ZINC000272605011 266324250 /nfs/dbraw/zinc/32/42/50/266324250.db2.gz YLRQFYSJWKPYRD-HNNXBMFYSA-N 1 3 336.476 2.837 20 0 EFADHO COCCOCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272645202 266338294 /nfs/dbraw/zinc/33/82/94/266338294.db2.gz DJGCUONTCMFBGR-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272657363 266341210 /nfs/dbraw/zinc/34/12/10/266341210.db2.gz LWWKEPAKCZWWAF-AEFFLSMTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657363 266341213 /nfs/dbraw/zinc/34/12/13/266341213.db2.gz LWWKEPAKCZWWAF-AEFFLSMTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657363 266341217 /nfs/dbraw/zinc/34/12/17/266341217.db2.gz LWWKEPAKCZWWAF-AEFFLSMTSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272671915 266346954 /nfs/dbraw/zinc/34/69/54/266346954.db2.gz PQRXUTVWMMPXLS-AEFFLSMTSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272671915 266346957 /nfs/dbraw/zinc/34/69/57/266346957.db2.gz PQRXUTVWMMPXLS-AEFFLSMTSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272671915 266346961 /nfs/dbraw/zinc/34/69/61/266346961.db2.gz PQRXUTVWMMPXLS-AEFFLSMTSA-N 1 3 331.504 2.649 20 0 EFADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000272705952 266357446 /nfs/dbraw/zinc/35/74/46/266357446.db2.gz UEKUUPMKPOLFCN-QHAWAJNXSA-N 1 3 338.499 2.853 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000272714550 266360254 /nfs/dbraw/zinc/36/02/54/266360254.db2.gz IDWGVAZWFDBDLT-LPHOPBHVSA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000272714550 266360259 /nfs/dbraw/zinc/36/02/59/266360259.db2.gz IDWGVAZWFDBDLT-LPHOPBHVSA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272715071 266360592 /nfs/dbraw/zinc/36/05/92/266360592.db2.gz CLCMRYUAERXQLG-VQIMIIECSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272715071 266360595 /nfs/dbraw/zinc/36/05/95/266360595.db2.gz CLCMRYUAERXQLG-VQIMIIECSA-N 1 3 325.456 2.807 20 0 EFADHO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272758964 266374538 /nfs/dbraw/zinc/37/45/38/266374538.db2.gz FRIWXVTUZXUABK-KRWDZBQOSA-N 1 3 341.499 2.665 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000103603946 273002126 /nfs/dbraw/zinc/00/21/26/273002126.db2.gz SEYHJZQLMOPECU-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000103603946 273002127 /nfs/dbraw/zinc/00/21/27/273002127.db2.gz SEYHJZQLMOPECU-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000108547890 273010320 /nfs/dbraw/zinc/01/03/20/273010320.db2.gz BSFMJTQXNKSVEP-AEFFLSMTSA-N 1 3 338.540 2.528 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276660563 267030895 /nfs/dbraw/zinc/03/08/95/267030895.db2.gz VZVWDPVCGYZMEG-SFTDATJTSA-N 1 3 344.499 2.943 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000276966389 267087255 /nfs/dbraw/zinc/08/72/55/267087255.db2.gz NQNFGYISLNKSPF-SFHVURJKSA-N 1 3 348.535 2.766 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@H+]2CCC[C@H](C)C2)cn1 ZINC000276966389 267087256 /nfs/dbraw/zinc/08/72/56/267087256.db2.gz NQNFGYISLNKSPF-SFHVURJKSA-N 1 3 348.535 2.766 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111735516 273015472 /nfs/dbraw/zinc/01/54/72/273015472.db2.gz YYTPLCZEACKFLQ-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111735516 273015473 /nfs/dbraw/zinc/01/54/73/273015473.db2.gz YYTPLCZEACKFLQ-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000237010339 273070678 /nfs/dbraw/zinc/07/06/78/273070678.db2.gz RUGGYAUISJLASA-IRXDYDNUSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@@H]1C[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CN1C1CC1 ZINC000271247015 273103339 /nfs/dbraw/zinc/10/33/39/273103339.db2.gz VXBRUBJGQDTVDN-HZPDHXFCSA-N 1 3 343.519 2.649 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000277080863 273146225 /nfs/dbraw/zinc/14/62/25/273146225.db2.gz XXDLVYAIPKNHLE-BHIYHBOVSA-N 1 3 342.483 2.972 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000277080863 273146226 /nfs/dbraw/zinc/14/62/26/273146226.db2.gz XXDLVYAIPKNHLE-BHIYHBOVSA-N 1 3 342.483 2.972 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000277133516 273147479 /nfs/dbraw/zinc/14/74/79/273147479.db2.gz IOEQMYGDWMHHDW-DLBZAZTESA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000277133516 273147481 /nfs/dbraw/zinc/14/74/81/273147481.db2.gz IOEQMYGDWMHHDW-DLBZAZTESA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000277133524 273147532 /nfs/dbraw/zinc/14/75/32/273147532.db2.gz IOEQMYGDWMHHDW-IRXDYDNUSA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000277133524 273147533 /nfs/dbraw/zinc/14/75/33/273147533.db2.gz IOEQMYGDWMHHDW-IRXDYDNUSA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000277133520 273147551 /nfs/dbraw/zinc/14/75/51/273147551.db2.gz IOEQMYGDWMHHDW-IAGOWNOFSA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000277133520 273147552 /nfs/dbraw/zinc/14/75/52/273147552.db2.gz IOEQMYGDWMHHDW-IAGOWNOFSA-N 1 3 340.895 2.634 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H](C)C1 ZINC000277206202 273150795 /nfs/dbraw/zinc/15/07/95/273150795.db2.gz WEPYNBHMTDQZIP-RLLQIKCJSA-N 1 3 347.572 2.924 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@H](C)C1 ZINC000277206202 273150797 /nfs/dbraw/zinc/15/07/97/273150797.db2.gz WEPYNBHMTDQZIP-RLLQIKCJSA-N 1 3 347.572 2.924 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279234018 273191336 /nfs/dbraw/zinc/19/13/36/273191336.db2.gz QRVLNAFVKPHCGA-ROUUACIJSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000279234018 273191337 /nfs/dbraw/zinc/19/13/37/273191337.db2.gz QRVLNAFVKPHCGA-ROUUACIJSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279273964 273196361 /nfs/dbraw/zinc/19/63/61/273196361.db2.gz NSEAXGKEJLETIF-ZWOKBUDYSA-N 1 3 343.515 2.934 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000279636050 273236601 /nfs/dbraw/zinc/23/66/01/273236601.db2.gz ZRCXYOWCTXFHTC-YLJYHZDGSA-N 1 3 339.483 2.694 20 0 EFADHO CCCCOC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000279651357 273238179 /nfs/dbraw/zinc/23/81/79/273238179.db2.gz BKCKFDHCSIAOGW-HXUWFJFHSA-N 1 3 349.519 2.798 20 0 EFADHO CCCCOC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000279651357 273238181 /nfs/dbraw/zinc/23/81/81/273238181.db2.gz BKCKFDHCSIAOGW-HXUWFJFHSA-N 1 3 349.519 2.798 20 0 EFADHO CC(C)[C@@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000279689950 273242534 /nfs/dbraw/zinc/24/25/34/273242534.db2.gz QSLCOMQKNZCANY-HXUWFJFHSA-N 1 3 345.531 2.816 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@H]1C ZINC000279784015 273253034 /nfs/dbraw/zinc/25/30/34/273253034.db2.gz CGOXSFZIMWCALE-VDZJLULYSA-N 1 3 348.487 2.694 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@H+](CCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280459832 273330380 /nfs/dbraw/zinc/33/03/80/273330380.db2.gz OHZZOBRJPMEZLA-ZCNNSNEGSA-N 1 3 330.472 2.593 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280459832 273330381 /nfs/dbraw/zinc/33/03/81/273330381.db2.gz OHZZOBRJPMEZLA-ZCNNSNEGSA-N 1 3 330.472 2.593 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000280933547 273382978 /nfs/dbraw/zinc/38/29/78/273382978.db2.gz IIMQWJNTBYLMRP-FUHWJXTLSA-N 1 3 347.503 2.536 20 0 EFADHO CN(C(=O)[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000281073414 273397919 /nfs/dbraw/zinc/39/79/19/273397919.db2.gz KWBPQIPWQCRMRO-MSOLQXFVSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C(=O)[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000281073414 273397920 /nfs/dbraw/zinc/39/79/20/273397920.db2.gz KWBPQIPWQCRMRO-MSOLQXFVSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281952427 273492633 /nfs/dbraw/zinc/49/26/33/273492633.db2.gz MHWPHMMHIAMTOF-UHFFFAOYSA-N 1 3 332.492 2.740 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285513940 274015573 /nfs/dbraw/zinc/01/55/73/274015573.db2.gz AVFXEBBDVPRAOK-GJZGRUSLSA-N 1 3 331.460 2.789 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1OC ZINC000285524939 274017602 /nfs/dbraw/zinc/01/76/02/274017602.db2.gz BIOXQAXEDWNPNX-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO c1ccc(C[N@H+]2CC[C@]3(CCN(CCC4OCCCO4)C3)C2)cc1 ZINC000285713371 274059063 /nfs/dbraw/zinc/05/90/63/274059063.db2.gz WODDXMWSGOYMHK-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@]3(CCN(CCC4OCCCO4)C3)C2)cc1 ZINC000285713371 274059064 /nfs/dbraw/zinc/05/90/64/274059064.db2.gz WODDXMWSGOYMHK-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285875157 274091911 /nfs/dbraw/zinc/09/19/11/274091911.db2.gz ZFEBEORYJCPPRH-AWEZNQCLSA-N 1 3 339.439 2.930 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286017828 274118093 /nfs/dbraw/zinc/11/80/93/274118093.db2.gz JQFHSSKHUZGNFG-IBGZPJMESA-N 1 3 329.488 2.629 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286036727 274121169 /nfs/dbraw/zinc/12/11/69/274121169.db2.gz KJYYOSULOIMYDB-GXTWGEPZSA-N 1 3 328.478 2.542 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000286069598 274127086 /nfs/dbraw/zinc/12/70/86/274127086.db2.gz MGBIYAAMTFTLQH-CYBMUJFWSA-N 1 3 345.409 2.723 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000286130476 274139413 /nfs/dbraw/zinc/13/94/13/274139413.db2.gz WKUYHQWNONQWLS-LVCYWYKZSA-N 1 3 346.515 2.931 20 0 EFADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286208893 274154233 /nfs/dbraw/zinc/15/42/33/274154233.db2.gz RRGXLKFEKCLTBP-CQSZACIVSA-N 1 3 331.460 2.790 20 0 EFADHO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286258860 274164142 /nfs/dbraw/zinc/16/41/42/274164142.db2.gz UTVYAEUMNGYDII-XUVXKRRUSA-N 1 3 343.515 2.793 20 0 EFADHO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000286268073 274165984 /nfs/dbraw/zinc/16/59/84/274165984.db2.gz TYCVJKZJLIKJCC-KZNAEPCWSA-N 1 3 349.544 2.669 20 0 EFADHO CC[C@H](C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1)[NH+](CC)CC ZINC000286268360 274166056 /nfs/dbraw/zinc/16/60/56/274166056.db2.gz VWAQZGBNEPKKIW-QZTJIDSGSA-N 1 3 335.492 2.535 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000286476716 274209638 /nfs/dbraw/zinc/20/96/38/274209638.db2.gz KJTFXYOSEKNYDG-VQIMIIECSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000287055062 274331339 /nfs/dbraw/zinc/33/13/39/274331339.db2.gz KIVJFIVHVOMHAB-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000287055062 274331342 /nfs/dbraw/zinc/33/13/42/274331342.db2.gz KIVJFIVHVOMHAB-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000287167385 274358582 /nfs/dbraw/zinc/35/85/82/274358582.db2.gz XBYIKQWQAQNADS-MAUKXSAKSA-N 1 3 330.476 2.839 20 0 EFADHO C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000288149959 274536119 /nfs/dbraw/zinc/53/61/19/274536119.db2.gz NRWULYKPFHBNML-PKOBYXMFSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288188378 274544260 /nfs/dbraw/zinc/54/42/60/274544260.db2.gz PYZNDRNNJHIFTH-FUHWJXTLSA-N 1 3 346.519 2.709 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)CC[C@@H]2C)c1 ZINC000355470949 276109998 /nfs/dbraw/zinc/10/99/98/276109998.db2.gz HKDUEGWNWUNMCN-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000105118851 276110024 /nfs/dbraw/zinc/11/00/24/276110024.db2.gz NAUXDUUCKAODIM-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000105118855 276110084 /nfs/dbraw/zinc/11/00/84/276110084.db2.gz NAUXDUUCKAODIM-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)ccc1C ZINC000337574546 276170466 /nfs/dbraw/zinc/17/04/66/276170466.db2.gz GSEZKXQSHMCRGL-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)ccc1C ZINC000337574546 276170467 /nfs/dbraw/zinc/17/04/67/276170467.db2.gz GSEZKXQSHMCRGL-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000137444715 276195533 /nfs/dbraw/zinc/19/55/33/276195533.db2.gz JFCDBQCXPDAVDF-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000137444715 276195535 /nfs/dbraw/zinc/19/55/35/276195535.db2.gz JFCDBQCXPDAVDF-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000415905392 276267149 /nfs/dbraw/zinc/26/71/49/276267149.db2.gz IINLSGQBMCCMEI-GOSISDBHSA-N 1 3 330.476 2.888 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1)C1CC1 ZINC000352804444 276353620 /nfs/dbraw/zinc/35/36/20/276353620.db2.gz DMTYGNFGPFBUOZ-XLIONFOSSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1)C1CC1 ZINC000352804444 276353623 /nfs/dbraw/zinc/35/36/23/276353623.db2.gz DMTYGNFGPFBUOZ-XLIONFOSSA-N 1 3 341.499 2.837 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@]2(C)CCCO2)CC1 ZINC000340186790 276385522 /nfs/dbraw/zinc/38/55/22/276385522.db2.gz SZKHONOXTDWEHR-RXVVDRJESA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422738372 276388115 /nfs/dbraw/zinc/38/81/15/276388115.db2.gz JPMOAGBKDYMAOE-PMPSAXMXSA-N 1 3 336.499 2.744 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416836932 276672729 /nfs/dbraw/zinc/67/27/29/276672729.db2.gz HANANODRUMQIEQ-LZQZEXGQSA-N 1 3 346.519 2.539 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[NH+](C)C)cc1 ZINC000163600797 276672802 /nfs/dbraw/zinc/67/28/02/276672802.db2.gz AFGDLVUFEAMDCK-PMACEKPBSA-N 1 3 339.483 2.538 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370633164 276692455 /nfs/dbraw/zinc/69/24/55/276692455.db2.gz GCAPOGLMPQKJOU-GDBMZVCRSA-N 1 3 348.560 2.841 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000342430337 276793005 /nfs/dbraw/zinc/79/30/05/276793005.db2.gz QMXLONWHSIWZJR-YTQUADARSA-N 1 3 347.503 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348873 277061069 /nfs/dbraw/zinc/06/10/69/277061069.db2.gz OMXCQGBKYCAXMM-BBWFWOEESA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348873 277061070 /nfs/dbraw/zinc/06/10/70/277061070.db2.gz OMXCQGBKYCAXMM-BBWFWOEESA-N 1 3 337.508 2.802 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1CC[NH+](C(C)(C)C)CC1 ZINC000368653135 277196460 /nfs/dbraw/zinc/19/64/60/277196460.db2.gz PUFGPMLHFKDBJN-ZSHCYNCHSA-N 1 3 337.508 2.704 20 0 EFADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208471 277274440 /nfs/dbraw/zinc/27/44/40/277274440.db2.gz AYBXBRMZODRBDE-IEBWSBKVSA-N 1 3 346.519 2.614 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418677542 277379689 /nfs/dbraw/zinc/37/96/89/277379689.db2.gz RXODXDZQTRMHGE-GOSISDBHSA-N 1 3 334.508 2.696 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000352426825 277566740 /nfs/dbraw/zinc/56/67/40/277566740.db2.gz YTFCISZOQDSWBW-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000418346859 278045200 /nfs/dbraw/zinc/04/52/00/278045200.db2.gz IBZAQAQSURNCJV-OLMNPRSZSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000418366185 278049180 /nfs/dbraw/zinc/04/91/80/278049180.db2.gz YKBQORYNLDTVMN-BMGDILEWSA-N 1 3 332.492 2.721 20 0 EFADHO C[C@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000237374207 278163297 /nfs/dbraw/zinc/16/32/97/278163297.db2.gz DRVQIAVZBAOHLV-XLIONFOSSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N(C)Cc1ccccc1 ZINC000343268666 278174039 /nfs/dbraw/zinc/17/40/39/278174039.db2.gz MCSMSXGQVRQXFD-GFOJFJKKSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000180330854 278179382 /nfs/dbraw/zinc/17/93/82/278179382.db2.gz BAEJVHMFUGTQJR-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246010639 278193522 /nfs/dbraw/zinc/19/35/22/278193522.db2.gz KHELSQWRAHLPDS-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246010639 278193523 /nfs/dbraw/zinc/19/35/23/278193523.db2.gz KHELSQWRAHLPDS-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817720 278208681 /nfs/dbraw/zinc/20/86/81/278208681.db2.gz HCVHVKKNOIQKFW-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817720 278208683 /nfs/dbraw/zinc/20/86/83/278208683.db2.gz HCVHVKKNOIQKFW-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423402968 278222767 /nfs/dbraw/zinc/22/27/67/278222767.db2.gz XWXXAHOYRYUNHA-MSOLQXFVSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423418991 278267431 /nfs/dbraw/zinc/26/74/31/278267431.db2.gz ICUKRNPCVQVKOB-SJLPKXTDSA-N 1 3 329.488 2.657 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431029903 278339689 /nfs/dbraw/zinc/33/96/89/278339689.db2.gz HTZMOJPKCCBENN-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(F)c1 ZINC000414206260 288037715 /nfs/dbraw/zinc/03/77/15/288037715.db2.gz YCLXKQDIONNIAX-IBGZPJMESA-N 1 3 349.494 2.663 20 0 EFADHO CCC(CC)(CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)OC ZINC000423037348 278587740 /nfs/dbraw/zinc/58/77/40/278587740.db2.gz MTAGUYVBIJSKRC-JXFKEZNVSA-N 1 3 346.471 2.811 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362590083 279007927 /nfs/dbraw/zinc/00/79/27/279007927.db2.gz IWEQWWSXTZIVHG-QGZVKYPTSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362590083 279007928 /nfs/dbraw/zinc/00/79/28/279007928.db2.gz IWEQWWSXTZIVHG-QGZVKYPTSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1OCC[C@@]1(O)C[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000447925128 279046954 /nfs/dbraw/zinc/04/69/54/279046954.db2.gz IFZQDLOBPBBRMS-YSIASYRMSA-N 1 3 332.488 2.513 20 0 EFADHO C[C@@H]1OCC[C@@]1(O)C[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000447925128 279046955 /nfs/dbraw/zinc/04/69/55/279046955.db2.gz IFZQDLOBPBBRMS-YSIASYRMSA-N 1 3 332.488 2.513 20 0 EFADHO C[C@@H]1OCC[C@@]1(O)C[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000447925122 279046991 /nfs/dbraw/zinc/04/69/91/279046991.db2.gz IFZQDLOBPBBRMS-DFQSSKMNSA-N 1 3 332.488 2.513 20 0 EFADHO C[C@@H]1OCC[C@@]1(O)C[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000447925122 279046993 /nfs/dbraw/zinc/04/69/93/279046993.db2.gz IFZQDLOBPBBRMS-DFQSSKMNSA-N 1 3 332.488 2.513 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000431976681 279121803 /nfs/dbraw/zinc/12/18/03/279121803.db2.gz GHOQDOZVDLWMJI-SOLBZPMBSA-N 1 3 338.540 2.669 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173561989 279123659 /nfs/dbraw/zinc/12/36/59/279123659.db2.gz CFTPYHXBQKUERG-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268256883 279137090 /nfs/dbraw/zinc/13/70/90/279137090.db2.gz ROFWUTIEARFKJP-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000338393906 279137141 /nfs/dbraw/zinc/13/71/41/279137141.db2.gz BDZQPGFZMLIQMC-YJBOKZPZSA-N 1 3 329.488 2.883 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000236873602 279161849 /nfs/dbraw/zinc/16/18/49/279161849.db2.gz JAXRHMGUVYSKJD-CQSZACIVSA-N 1 3 343.393 2.696 20 0 EFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000367596894 279207134 /nfs/dbraw/zinc/20/71/34/279207134.db2.gz AOCWUQFBZBULTA-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000367596894 279207137 /nfs/dbraw/zinc/20/71/37/279207137.db2.gz AOCWUQFBZBULTA-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000431059383 279246737 /nfs/dbraw/zinc/24/67/37/279246737.db2.gz CAJHMFCCKDDRLE-MBOZVWFJSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000431063031 279246754 /nfs/dbraw/zinc/24/67/54/279246754.db2.gz WPTXMKBIMKLDNL-HNBVOPMISA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418679660 279254366 /nfs/dbraw/zinc/25/43/66/279254366.db2.gz WXIVRWQXWHJZKX-CZUORRHYSA-N 1 3 340.899 2.759 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181947208 279366098 /nfs/dbraw/zinc/36/60/98/279366098.db2.gz WAAIMZMTAJVBOK-MAUKXSAKSA-N 1 3 335.467 2.655 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000353382751 279370185 /nfs/dbraw/zinc/37/01/85/279370185.db2.gz IOGPSPRPCSAGKR-IAGOWNOFSA-N 1 3 326.488 2.911 20 0 EFADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000261577715 279372838 /nfs/dbraw/zinc/37/28/38/279372838.db2.gz ONCJSSNLMFEMGC-NRSPTQNISA-N 1 3 345.531 2.645 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)CCC[NH+]2CCCC2)CC1 ZINC000343605957 279375113 /nfs/dbraw/zinc/37/51/13/279375113.db2.gz QEIIWQNRFCCHQG-UHFFFAOYSA-N 1 3 344.547 2.746 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000340281681 288156797 /nfs/dbraw/zinc/15/67/97/288156797.db2.gz WZHFCIWFDRPLFL-JFIYKMOQSA-N 1 3 326.525 2.605 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000348064660 288160891 /nfs/dbraw/zinc/16/08/91/288160891.db2.gz PLIBBLMIPRQASF-LXTVHRRPSA-N 1 3 338.414 2.575 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000190504045 279853658 /nfs/dbraw/zinc/85/36/58/279853658.db2.gz NTZMYOKHTYXBAV-ZWOKBUDYSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CCCc3ccncc3)CC2)C[C@H](C)O1 ZINC000347292829 279853833 /nfs/dbraw/zinc/85/38/33/279853833.db2.gz CWCSRDXOCBKSIU-ROUUACIJSA-N 1 3 331.504 2.835 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414180980 280008917 /nfs/dbraw/zinc/00/89/17/280008917.db2.gz BMYWPJOOHUVYHO-PXNSSMCTSA-N 1 3 343.515 2.621 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000252491030 288196249 /nfs/dbraw/zinc/19/62/49/288196249.db2.gz LIVPWUZGYQLDFM-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCCC1 ZINC000344730975 280151024 /nfs/dbraw/zinc/15/10/24/280151024.db2.gz ZEZWOCGZCHMROD-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCCC1 ZINC000344730975 280151025 /nfs/dbraw/zinc/15/10/25/280151025.db2.gz ZEZWOCGZCHMROD-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H](C)[NH3+] ZINC000423333685 280169152 /nfs/dbraw/zinc/16/91/52/280169152.db2.gz SBSHYAIJIYBRCC-QAPCUYQASA-N 1 3 331.504 2.559 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374158595 280175868 /nfs/dbraw/zinc/17/58/68/280175868.db2.gz CVPPUBXOPCDLGS-QUCCMNQESA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374158595 280175870 /nfs/dbraw/zinc/17/58/70/280175870.db2.gz CVPPUBXOPCDLGS-QUCCMNQESA-N 1 3 331.504 2.601 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000422930019 288219126 /nfs/dbraw/zinc/21/91/26/288219126.db2.gz ASVMYUQECYKZPG-PDOICOKGSA-N 1 3 331.504 2.513 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)N(CC)CC ZINC000431550667 280674975 /nfs/dbraw/zinc/67/49/75/280674975.db2.gz OYPYEDGBHKFJPC-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)[C@@H](C)C2 ZINC000361069874 281126489 /nfs/dbraw/zinc/12/64/89/281126489.db2.gz UUJJHCBSGVPOCP-DJPFJPOOSA-N 1 3 327.516 2.986 20 0 EFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337925 281209835 /nfs/dbraw/zinc/20/98/35/281209835.db2.gz KHQQKKCNUFBEME-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C34CCCN3CCC4)C2)CC1 ZINC000365980093 281823376 /nfs/dbraw/zinc/82/33/76/281823376.db2.gz PGIUSUNJBLZLOY-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000133066689 282032212 /nfs/dbraw/zinc/03/22/12/282032212.db2.gz FGOOGXHMWRTMJL-PBHICJAKSA-N 1 3 335.517 2.919 20 0 EFADHO C[NH+](C)C1(CNC(=O)NC[C@H]2CCCCN2C2CC2)CCCCC1 ZINC000433549482 282035995 /nfs/dbraw/zinc/03/59/95/282035995.db2.gz IDLDWZDIWMMUTL-QGZVFWFLSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422786918 289032402 /nfs/dbraw/zinc/03/24/02/289032402.db2.gz TZEMMPBAOVCGAC-XUVXKRRUSA-N 1 3 343.515 2.831 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000353531806 289165601 /nfs/dbraw/zinc/16/56/01/289165601.db2.gz PIKWXSWZNCCLNI-UHFFFAOYSA-N 1 3 332.488 2.943 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000073401009 292724520 /nfs/dbraw/zinc/72/45/20/292724520.db2.gz WGZSQOOXDRZDAZ-QGZVFWFLSA-N 1 3 349.544 2.979 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000262662621 289301758 /nfs/dbraw/zinc/30/17/58/289301758.db2.gz ZKJAOTIDFKWZCT-SCTDSRPQSA-N 1 3 329.488 2.657 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129824 289370807 /nfs/dbraw/zinc/37/08/07/289370807.db2.gz OCKTVLQZXAGAQZ-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416840813 289510066 /nfs/dbraw/zinc/51/00/66/289510066.db2.gz LINBCQXNPQTLNL-AWEZNQCLSA-N 1 3 338.521 2.511 20 0 EFADHO CN1CCC(C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000262974840 289868716 /nfs/dbraw/zinc/86/87/16/289868716.db2.gz SMOKYNZRFVKZCP-KRWDZBQOSA-N 1 3 347.528 2.561 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343136592 290017035 /nfs/dbraw/zinc/01/70/35/290017035.db2.gz LCEBOVOWUHQZTJ-PIKOESSRSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343136592 290017036 /nfs/dbraw/zinc/01/70/36/290017036.db2.gz LCEBOVOWUHQZTJ-PIKOESSRSA-N 1 3 331.504 2.521 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000079576858 292790968 /nfs/dbraw/zinc/79/09/68/292790968.db2.gz VLZFWAWBXNMARK-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353411962 290255373 /nfs/dbraw/zinc/25/53/73/290255373.db2.gz IIJYMSAQSIFIPL-IEBWSBKVSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339335565 290387317 /nfs/dbraw/zinc/38/73/17/290387317.db2.gz XOLHOZQLJFGVFC-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339335565 290387322 /nfs/dbraw/zinc/38/73/22/290387322.db2.gz XOLHOZQLJFGVFC-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000237524429 290392445 /nfs/dbraw/zinc/39/24/45/290392445.db2.gz XWMVDFYADKZIMP-LPHOPBHVSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000237524429 290392446 /nfs/dbraw/zinc/39/24/46/290392446.db2.gz XWMVDFYADKZIMP-LPHOPBHVSA-N 1 3 329.488 2.819 20 0 EFADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128014399 293088619 /nfs/dbraw/zinc/08/86/19/293088619.db2.gz CAWVEXLFUWHLNY-CVEARBPZSA-N 1 3 343.471 2.979 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129429269 293133442 /nfs/dbraw/zinc/13/34/42/293133442.db2.gz KMTOQNNUTROBRF-KXBFYZLASA-N 1 3 338.455 2.764 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129429269 293133446 /nfs/dbraw/zinc/13/34/46/293133446.db2.gz KMTOQNNUTROBRF-KXBFYZLASA-N 1 3 338.455 2.764 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1 ZINC000129859205 293145976 /nfs/dbraw/zinc/14/59/76/293145976.db2.gz LLQGCSOKJQERIQ-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1 ZINC000129859205 293145978 /nfs/dbraw/zinc/14/59/78/293145978.db2.gz LLQGCSOKJQERIQ-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1 ZINC000129856230 293146031 /nfs/dbraw/zinc/14/60/31/293146031.db2.gz WYSSUCPVZUGTRF-QGZVFWFLSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1 ZINC000129856230 293146034 /nfs/dbraw/zinc/14/60/34/293146034.db2.gz WYSSUCPVZUGTRF-QGZVFWFLSA-N 1 3 336.455 2.706 20 0 EFADHO CSCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000131812568 293209342 /nfs/dbraw/zinc/20/93/42/293209342.db2.gz OITCONGNPTUJGP-UHFFFAOYSA-N 1 3 338.521 2.507 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177215 293219930 /nfs/dbraw/zinc/21/99/30/293219930.db2.gz XTKXIRCLSUSMSK-ZHALLVOQSA-N 1 3 326.488 2.792 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177215 293219934 /nfs/dbraw/zinc/21/99/34/293219934.db2.gz XTKXIRCLSUSMSK-ZHALLVOQSA-N 1 3 326.488 2.792 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216114 293221426 /nfs/dbraw/zinc/22/14/26/293221426.db2.gz QAHMXEVGPTXMHP-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216114 293221429 /nfs/dbraw/zinc/22/14/29/293221429.db2.gz QAHMXEVGPTXMHP-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216114 293221434 /nfs/dbraw/zinc/22/14/34/293221434.db2.gz QAHMXEVGPTXMHP-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000153797495 293394994 /nfs/dbraw/zinc/39/49/94/293394994.db2.gz AYKQGFBQAAZVQO-AZUAARDMSA-N 1 3 345.531 2.523 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1O ZINC000289854146 293928426 /nfs/dbraw/zinc/92/84/26/293928426.db2.gz RHLRWWBIJYDUAT-OAGGEKHMSA-N 1 3 336.476 2.941 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290226792 294032418 /nfs/dbraw/zinc/03/24/18/294032418.db2.gz UFOHOMKEMUYNMI-GTAWCEEGSA-N 1 3 343.515 2.886 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290399868 294076691 /nfs/dbraw/zinc/07/66/91/294076691.db2.gz JHGOXGZQKSVLCQ-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290399868 294076694 /nfs/dbraw/zinc/07/66/94/294076694.db2.gz JHGOXGZQKSVLCQ-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290399868 294076698 /nfs/dbraw/zinc/07/66/98/294076698.db2.gz JHGOXGZQKSVLCQ-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290399868 294076701 /nfs/dbraw/zinc/07/67/01/294076701.db2.gz JHGOXGZQKSVLCQ-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000290487613 294100089 /nfs/dbraw/zinc/10/00/89/294100089.db2.gz VRGSRUXFVJKMDU-ZWKOTPCHSA-N 1 3 344.455 2.672 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000290635348 294142377 /nfs/dbraw/zinc/14/23/77/294142377.db2.gz YFKCIZWDQYCIRJ-LJQANCHMSA-N 1 3 343.515 2.687 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000290635348 294142379 /nfs/dbraw/zinc/14/23/79/294142379.db2.gz YFKCIZWDQYCIRJ-LJQANCHMSA-N 1 3 343.515 2.687 20 0 EFADHO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290951330 294229411 /nfs/dbraw/zinc/22/94/11/294229411.db2.gz VDCLLQZSSFJEIU-DOTOQJQBSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H](NCc1c[nH]c2nccnc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290951330 294229414 /nfs/dbraw/zinc/22/94/14/294229414.db2.gz VDCLLQZSSFJEIU-DOTOQJQBSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H](NCc1c[nH]c2nccnc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290951330 294229418 /nfs/dbraw/zinc/22/94/18/294229418.db2.gz VDCLLQZSSFJEIU-DOTOQJQBSA-N 1 3 335.455 2.958 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCCC1 ZINC000291032413 294253339 /nfs/dbraw/zinc/25/33/39/294253339.db2.gz HCFATNWNFFLKQM-SFHVURJKSA-N 1 3 331.460 2.618 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000291174277 294300009 /nfs/dbraw/zinc/30/00/09/294300009.db2.gz LKUQMNNMZODZNE-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000291174277 294300013 /nfs/dbraw/zinc/30/00/13/294300013.db2.gz LKUQMNNMZODZNE-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO COCCN(C)c1ccc(CNCCCCC[NH+]2CCCC2)cn1 ZINC000292990360 294846485 /nfs/dbraw/zinc/84/64/85/294846485.db2.gz MDICPEQGAUCMKE-UHFFFAOYSA-N 1 3 334.508 2.520 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293613747 295011648 /nfs/dbraw/zinc/01/16/48/295011648.db2.gz GUEDXVYGKARPLV-MRXNPFEDSA-N 1 3 349.475 2.652 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293613747 295011650 /nfs/dbraw/zinc/01/16/50/295011650.db2.gz GUEDXVYGKARPLV-MRXNPFEDSA-N 1 3 349.475 2.652 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803041 295052802 /nfs/dbraw/zinc/05/28/02/295052802.db2.gz AEGGRIOCAUASGW-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803041 295052805 /nfs/dbraw/zinc/05/28/05/295052805.db2.gz AEGGRIOCAUASGW-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293935244 295082379 /nfs/dbraw/zinc/08/23/79/295082379.db2.gz QTZZJEJPUKONPN-HXUWFJFHSA-N 1 3 341.455 2.662 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000293935244 295082380 /nfs/dbraw/zinc/08/23/80/295082380.db2.gz QTZZJEJPUKONPN-HXUWFJFHSA-N 1 3 341.455 2.662 20 0 EFADHO c1cc(N2CCC([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC2)ccn1 ZINC000294122993 295114737 /nfs/dbraw/zinc/11/47/37/295114737.db2.gz DXMUPQJWHRKJJB-GOSISDBHSA-N 1 3 331.460 2.716 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000294221903 295130746 /nfs/dbraw/zinc/13/07/46/295130746.db2.gz NROYVPOTALCDNN-GUDVDZBRSA-N 1 3 327.472 2.988 20 0 EFADHO Cc1nccn1-c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000294287180 295141342 /nfs/dbraw/zinc/14/13/42/295141342.db2.gz TYJTUUGJTSYELZ-UHFFFAOYSA-N 1 3 348.454 2.729 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@@H](C)C2C[NH2+]C2)CCOCC1 ZINC000422902232 295144428 /nfs/dbraw/zinc/14/44/28/295144428.db2.gz MJJAESCSXLOVGI-ZDUSSCGKSA-N 1 3 338.879 2.594 20 0 EFADHO COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)C2CNC2)CCOCC1 ZINC000422902232 295144431 /nfs/dbraw/zinc/14/44/31/295144431.db2.gz MJJAESCSXLOVGI-ZDUSSCGKSA-N 1 3 338.879 2.594 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000294309220 295145217 /nfs/dbraw/zinc/14/52/17/295145217.db2.gz VSHXFTRCTKHBLX-INIZCTEOSA-N 1 3 348.454 2.982 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000294323271 295147096 /nfs/dbraw/zinc/14/70/96/295147096.db2.gz RADGGMRKGGHVTI-HNNXBMFYSA-N 1 3 331.460 2.762 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000294323271 295147099 /nfs/dbraw/zinc/14/70/99/295147099.db2.gz RADGGMRKGGHVTI-HNNXBMFYSA-N 1 3 331.460 2.762 20 0 EFADHO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294343931 295150883 /nfs/dbraw/zinc/15/08/83/295150883.db2.gz YRJBJSQITZPFHD-QSAZIKIQSA-N 1 3 335.517 2.720 20 0 EFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(=O)OC)cc1 ZINC000294403153 295161233 /nfs/dbraw/zinc/16/12/33/295161233.db2.gz SQLUKBQWTCBHMG-SFHVURJKSA-N 1 3 347.503 2.540 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150981892 295239195 /nfs/dbraw/zinc/23/91/95/295239195.db2.gz NPLQKHWBTVCMDW-IAGOWNOFSA-N 1 3 333.520 2.803 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373695 295241130 /nfs/dbraw/zinc/24/11/30/295241130.db2.gz MXBMFTDDCJXYGF-SJLPKXTDSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373695 295241132 /nfs/dbraw/zinc/24/11/32/295241132.db2.gz MXBMFTDDCJXYGF-SJLPKXTDSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373695 295241134 /nfs/dbraw/zinc/24/11/34/295241134.db2.gz MXBMFTDDCJXYGF-SJLPKXTDSA-N 1 3 328.460 2.915 20 0 EFADHO CN1CCC(O)(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000294933242 295247651 /nfs/dbraw/zinc/24/76/51/295247651.db2.gz XRBZSSRYNGFAMW-NSHDSACASA-N 1 3 345.306 2.544 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000294938296 295248414 /nfs/dbraw/zinc/24/84/14/295248414.db2.gz DODXNHYLZQAHED-QGZVFWFLSA-N 1 3 348.487 2.730 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000294988171 295254442 /nfs/dbraw/zinc/25/44/42/295254442.db2.gz HJNZYTBMCUJQKB-CQSZACIVSA-N 1 3 333.501 2.623 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295008739 295256937 /nfs/dbraw/zinc/25/69/37/295256937.db2.gz LYHVQKQSWNEKIZ-MAUKXSAKSA-N 1 3 335.467 2.624 20 0 EFADHO C[C@H](CCCCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000295031602 295259596 /nfs/dbraw/zinc/25/95/96/295259596.db2.gz LPNOXUOXGUQFIH-QGZVFWFLSA-N 1 3 333.520 2.858 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)NC2CC2)CCCC1)c1ccccc1 ZINC000295198313 295281017 /nfs/dbraw/zinc/28/10/17/295281017.db2.gz OVOMGVIEQMORTM-CVEARBPZSA-N 1 3 329.488 2.907 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000295257412 295288774 /nfs/dbraw/zinc/28/87/74/295288774.db2.gz UVZLJMHDMJUPPX-INIZCTEOSA-N 1 3 346.519 2.791 20 0 EFADHO C[N@H+]1CC=C(CNCc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC000295352155 295305422 /nfs/dbraw/zinc/30/54/22/295305422.db2.gz IRLUSJAYXRVKES-UHFFFAOYSA-N 1 3 339.439 2.723 20 0 EFADHO C[N@@H+]1CC=C(CNCc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC000295352155 295305423 /nfs/dbraw/zinc/30/54/23/295305423.db2.gz IRLUSJAYXRVKES-UHFFFAOYSA-N 1 3 339.439 2.723 20 0 EFADHO CN1CC=C(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000295565041 295341854 /nfs/dbraw/zinc/34/18/54/295341854.db2.gz ZMORGFCVAGSPKG-UHFFFAOYSA-N 1 3 342.224 2.643 20 0 EFADHO COCC1CCC(NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000295594935 295346512 /nfs/dbraw/zinc/34/65/12/295346512.db2.gz CJOAYRMPVKYTHF-UHFFFAOYSA-N 1 3 335.492 2.707 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000295656488 295355914 /nfs/dbraw/zinc/35/59/14/295355914.db2.gz DPOIGOMHZSJWCN-GIVPXCGWSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000295656488 295355915 /nfs/dbraw/zinc/35/59/15/295355915.db2.gz DPOIGOMHZSJWCN-GIVPXCGWSA-N 1 3 348.531 2.971 20 0 EFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000295886086 295391639 /nfs/dbraw/zinc/39/16/39/295391639.db2.gz HYRLAJGCCHGCCT-IBGZPJMESA-N 1 3 330.476 2.638 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](N2CCCCC2)C1 ZINC000361846997 295621377 /nfs/dbraw/zinc/62/13/77/295621377.db2.gz AGGTYYRQIBLRJT-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416842984 298533170 /nfs/dbraw/zinc/53/31/70/298533170.db2.gz OBSRALGHOZIVDZ-CABCVRRESA-N 1 3 338.521 2.510 20 0 EFADHO C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706506 300293867 /nfs/dbraw/zinc/29/38/67/300293867.db2.gz ACENBBBJAUZRFT-YWZLYKJASA-N 1 3 331.479 2.913 20 0 EFADHO C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CC[N@H+]1C1CCN(C)CC1 ZINC000343706506 300293869 /nfs/dbraw/zinc/29/38/69/300293869.db2.gz ACENBBBJAUZRFT-YWZLYKJASA-N 1 3 331.479 2.913 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000358849491 301715736 /nfs/dbraw/zinc/71/57/36/301715736.db2.gz CWSIZOTURNGQHQ-RBUKOAKNSA-N 1 3 343.446 2.596 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237879929 301716080 /nfs/dbraw/zinc/71/60/80/301716080.db2.gz WJPCVEXKVXEORV-UYAOXDASSA-N 1 3 329.488 2.780 20 0 EFADHO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)s1 ZINC000414194067 301785887 /nfs/dbraw/zinc/78/58/87/301785887.db2.gz NADUBWHUEOSTBQ-INIZCTEOSA-N 1 3 337.533 2.504 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)N(C)C)cc1 ZINC000358849485 301796157 /nfs/dbraw/zinc/79/61/57/301796157.db2.gz CWSIZOTURNGQHQ-MOPGFXCFSA-N 1 3 343.446 2.596 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150958205 301891118 /nfs/dbraw/zinc/89/11/18/301891118.db2.gz MQWHHMIZIQUSHA-IBGZPJMESA-N 1 3 331.504 2.824 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)CC[C@@H]1C)[NH+](C)C ZINC000357281833 302200816 /nfs/dbraw/zinc/20/08/16/302200816.db2.gz KXIBGGFBNMNBHX-SCTDSRPQSA-N 1 3 346.519 2.722 20 0 EFADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423017554 303136746 /nfs/dbraw/zinc/13/67/46/303136746.db2.gz WNLMVZIRZSOKCX-OGWHTMIXSA-N 1 3 347.478 2.541 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@@H]2c2ccccc2)C1 ZINC000414717955 303365235 /nfs/dbraw/zinc/36/52/35/303365235.db2.gz ZZOKYEGCSSWPJH-PKOBYXMFSA-N 1 3 329.488 2.801 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccccc2)C1 ZINC000414717955 303365238 /nfs/dbraw/zinc/36/52/38/303365238.db2.gz ZZOKYEGCSSWPJH-PKOBYXMFSA-N 1 3 329.488 2.801 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414674665 303365422 /nfs/dbraw/zinc/36/54/22/303365422.db2.gz KZXSLTMTRIPLSO-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414674665 303365424 /nfs/dbraw/zinc/36/54/24/303365424.db2.gz KZXSLTMTRIPLSO-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO CO[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000297317824 310880210 /nfs/dbraw/zinc/88/02/10/310880210.db2.gz CLPJTVXGYGGLIK-HXUWFJFHSA-N 1 3 325.456 2.898 20 0 EFADHO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298215817 310968295 /nfs/dbraw/zinc/96/82/95/310968295.db2.gz ZOUDWYMALGNXAZ-AWEZNQCLSA-N 1 3 334.464 2.553 20 0 EFADHO COc1ccc(OC)c(CC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298390211 310985082 /nfs/dbraw/zinc/98/50/82/310985082.db2.gz LJPGEDQITUFCCZ-UHFFFAOYSA-N 1 3 341.455 2.900 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000298547422 311001663 /nfs/dbraw/zinc/00/16/63/311001663.db2.gz DSIMYVOHOYBBBY-ULQDDVLXSA-N 1 3 331.504 2.779 20 0 EFADHO c1cc(N2CCC([NH2+]CCc3ccc4c(c3)OCCO4)CC2)ccn1 ZINC000298545369 311001665 /nfs/dbraw/zinc/00/16/65/311001665.db2.gz UCNCMODWLWJQLC-UHFFFAOYSA-N 1 3 339.439 2.654 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000298569274 311004538 /nfs/dbraw/zinc/00/45/38/311004538.db2.gz BTFFOJVQQXWYRL-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CC)CC2)N(C)C)cc1 ZINC000298573212 311004638 /nfs/dbraw/zinc/00/46/38/311004638.db2.gz GDUCITZJMCLEKU-IBGZPJMESA-N 1 3 346.519 2.635 20 0 EFADHO CCCNC(=O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299512030 311091871 /nfs/dbraw/zinc/09/18/71/311091871.db2.gz CFNCWUPYLIFQMA-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO CCCNC(=O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000299512030 311091872 /nfs/dbraw/zinc/09/18/72/311091872.db2.gz CFNCWUPYLIFQMA-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000302939614 311208593 /nfs/dbraw/zinc/20/85/93/311208593.db2.gz BGMYVLUGJQDZJA-HKUYNNGSSA-N 1 3 340.556 2.726 20 0 EFADHO CCCN(CCNC1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000310032488 311229327 /nfs/dbraw/zinc/22/93/27/311229327.db2.gz YIMJDLFXMNGCBC-UHFFFAOYSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H](CNC[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000320494476 311237688 /nfs/dbraw/zinc/23/76/88/311237688.db2.gz BNEPSQZOOGKOQP-WBVHZDCISA-N 1 3 340.895 2.539 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000320494476 311237690 /nfs/dbraw/zinc/23/76/90/311237690.db2.gz BNEPSQZOOGKOQP-WBVHZDCISA-N 1 3 340.895 2.539 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333210484 311583619 /nfs/dbraw/zinc/58/36/19/311583619.db2.gz ZPCUISGCDWMWRR-PKOBYXMFSA-N 1 3 348.535 2.973 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333343182 311601816 /nfs/dbraw/zinc/60/18/16/311601816.db2.gz YOIALCDMRXZFAX-VWZCOVNWSA-N 1 3 327.472 2.926 20 0 EFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000333557659 311629031 /nfs/dbraw/zinc/62/90/31/311629031.db2.gz KLIQAGDHXUQGKR-XXWNAHEMSA-N 1 3 343.519 2.966 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333835432 311665344 /nfs/dbraw/zinc/66/53/44/311665344.db2.gz UEMFTNDVUGVBGU-IAGOWNOFSA-N 1 3 336.524 2.602 20 0 EFADHO Cc1nc2ccccc2nc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333901785 311673747 /nfs/dbraw/zinc/67/37/47/311673747.db2.gz ZHWYMTHCWJITGP-JXFKEZNVSA-N 1 3 340.471 2.657 20 0 EFADHO N[C@@H]1CCC[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)C1 ZINC000397821403 311961505 /nfs/dbraw/zinc/96/15/05/311961505.db2.gz DZEPZXGMSVBPHM-QZTJIDSGSA-N 1 3 333.476 2.943 20 0 EFADHO COc1cc(Br)c(CNCC2(C)CC[NH2+]CC2)cc1O ZINC000414896452 312059246 /nfs/dbraw/zinc/05/92/46/312059246.db2.gz BURKZEBTOBNJEP-UHFFFAOYSA-N 1 3 343.265 2.643 20 0 EFADHO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414491466 312049853 /nfs/dbraw/zinc/04/98/53/312049853.db2.gz ZCINCIXXECKJCF-RTBURBONSA-N 1 3 337.552 2.589 20 0 EFADHO Cc1ccc(-c2ncc(CNCCCN3CC[NH2+]CC3)s2)cc1 ZINC000414775911 312052807 /nfs/dbraw/zinc/05/28/07/312052807.db2.gz DQYCARDCIZUPOD-UHFFFAOYSA-N 1 3 330.501 2.503 20 0 EFADHO C[C@H](N)CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414823456 312054604 /nfs/dbraw/zinc/05/46/04/312054604.db2.gz ORVIVQYLHUSRKZ-ZDUSSCGKSA-N 1 3 340.309 2.740 20 0 EFADHO C[C@H]([NH3+])CCNC1CCN(Cc2ccccc2Br)CC1 ZINC000414823456 312054606 /nfs/dbraw/zinc/05/46/06/312054606.db2.gz ORVIVQYLHUSRKZ-ZDUSSCGKSA-N 1 3 340.309 2.740 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414836464 312056499 /nfs/dbraw/zinc/05/64/99/312056499.db2.gz JIVVWOYJMCGGME-UONOGXRCSA-N 1 3 325.884 2.522 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414839931 312057334 /nfs/dbraw/zinc/05/73/34/312057334.db2.gz LWUOBNWFEIGXTJ-APWZRJJASA-N 1 3 331.504 2.621 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)c(OC)c1 ZINC000414849441 312058048 /nfs/dbraw/zinc/05/80/48/312058048.db2.gz XMVHHTWEQIJUNS-AWEZNQCLSA-N 1 3 349.475 2.672 20 0 EFADHO CC1(CNCc2cc3c(cc2Br)OCO3)CC[NH2+]CC1 ZINC000414905158 312060959 /nfs/dbraw/zinc/06/09/59/312060959.db2.gz OBESEVYOHZCULQ-UHFFFAOYSA-N 1 3 341.249 2.657 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000414928579 312064679 /nfs/dbraw/zinc/06/46/79/312064679.db2.gz QHDVMBQKUVKNEN-STQMWFEESA-N 1 3 332.400 2.588 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414936946 312067158 /nfs/dbraw/zinc/06/71/58/312067158.db2.gz ZOZOMKFSPLWPEU-STQMWFEESA-N 1 3 332.366 2.996 20 0 EFADHO COCC1(CNCc2ccc(C)cc2Br)CC[NH2+]CC1 ZINC000414980130 312070399 /nfs/dbraw/zinc/07/03/99/312070399.db2.gz VRHHXWJRNJCCRB-UHFFFAOYSA-N 1 3 341.293 2.863 20 0 EFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414982625 312071083 /nfs/dbraw/zinc/07/10/83/312071083.db2.gz ZKOAJNFWMHQOAP-DLBZAZTESA-N 1 3 344.503 2.929 20 0 EFADHO [NH3+][C@H]1CCC[C@H](CNCc2cc3c(cc2Br)OCO3)C1 ZINC000414986754 312071783 /nfs/dbraw/zinc/07/17/83/312071783.db2.gz CNZAAKDPDZXTSU-JQWIXIFHSA-N 1 3 341.249 2.785 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415000117 312074817 /nfs/dbraw/zinc/07/48/17/312074817.db2.gz JZDYOCIUXBLOMC-WCQYABFASA-N 1 3 337.830 2.667 20 0 EFADHO CCOc1c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(C)nn1CC(C)C ZINC000415010633 312077132 /nfs/dbraw/zinc/07/71/32/312077132.db2.gz POAGBFKRRJSSNM-FUHWJXTLSA-N 1 3 334.508 2.724 20 0 EFADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@H]([NH3+])C2)cc1O ZINC000415011583 312077163 /nfs/dbraw/zinc/07/71/63/312077163.db2.gz WGSLARNTIIKAFT-PWSUYJOCSA-N 1 3 343.265 2.770 20 0 EFADHO CC(C)N1CCc2nc(CNC[C@H]3CC[C@H](C[NH3+])CC3)sc2C1 ZINC000415023492 312079018 /nfs/dbraw/zinc/07/90/18/312079018.db2.gz LJKQFNLEMBAEPN-SHTZXODSSA-N 1 3 336.549 2.764 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000415027232 312079201 /nfs/dbraw/zinc/07/92/01/312079201.db2.gz ARICIDVSTHHUGE-QWRGUYRKSA-N 1 3 340.258 2.791 20 0 EFADHO Cc1nn(C)c(OCC(F)(F)F)c1CNC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028197 312079290 /nfs/dbraw/zinc/07/92/90/312079290.db2.gz YFTHHHBEFQOAPT-JOCQHMNTSA-N 1 3 348.413 2.524 20 0 EFADHO C[C@H](CS(=O)(=O)c1ccccc1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415044659 312082738 /nfs/dbraw/zinc/08/27/38/312082738.db2.gz ATTWAZUOYYOOSS-VQIMIIECSA-N 1 3 346.496 2.919 20 0 EFADHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc2c1OCO2 ZINC000415056274 312085135 /nfs/dbraw/zinc/08/51/35/312085135.db2.gz PQWLKPKAVQAOEC-MRXNPFEDSA-N 1 3 328.412 2.994 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C[C@@]1(C)CN ZINC000415057464 312085473 /nfs/dbraw/zinc/08/54/73/312085473.db2.gz SWNSHDGOAOMMAM-RSRIQPTJSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C[C@@]1(C)CN ZINC000415057464 312085476 /nfs/dbraw/zinc/08/54/76/312085476.db2.gz SWNSHDGOAOMMAM-RSRIQPTJSA-N 1 3 327.516 2.814 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000415058703 312085511 /nfs/dbraw/zinc/08/55/11/312085511.db2.gz WBVPXBDWKWAAMF-HKUYNNGSSA-N 1 3 325.460 2.540 20 0 EFADHO CCSc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415077726 312088754 /nfs/dbraw/zinc/08/87/54/312088754.db2.gz HYJNNCVTXJXSKT-LSDHHAIUSA-N 1 3 335.517 2.647 20 0 EFADHO COc1ccc([C@@H](CNC[C@@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000415079470 312089206 /nfs/dbraw/zinc/08/92/06/312089206.db2.gz HUHCMPMWAWPMPH-YLJYHZDGSA-N 1 3 331.504 2.811 20 0 EFADHO COc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415080741 312089561 /nfs/dbraw/zinc/08/95/61/312089561.db2.gz JOMSCZFDIGKJEZ-UYAOXDASSA-N 1 3 331.504 2.954 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415080737 312089568 /nfs/dbraw/zinc/08/95/68/312089568.db2.gz JOMSCZFDIGKJEZ-ICSRJNTNSA-N 1 3 331.504 2.954 20 0 EFADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415086113 312091034 /nfs/dbraw/zinc/09/10/34/312091034.db2.gz RFDGWOISYVUXGI-DLBZAZTESA-N 1 3 331.504 2.530 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000415114597 312096784 /nfs/dbraw/zinc/09/67/84/312096784.db2.gz WAIXCZOIJIZJMN-APWZRJJASA-N 1 3 344.459 2.696 20 0 EFADHO CC(C)n1nccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415126262 312099132 /nfs/dbraw/zinc/09/91/32/312099132.db2.gz GEAPLFUBUKUFLS-UHFFFAOYSA-N 1 3 341.503 2.547 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2ccccc2OCc2ccccc2)CC1 ZINC000415135073 312101007 /nfs/dbraw/zinc/10/10/07/312101007.db2.gz AEFBQDAYXUQIQF-UHFFFAOYSA-N 1 3 326.440 2.551 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000415138321 312101405 /nfs/dbraw/zinc/10/14/05/312101405.db2.gz YZONMQAVESKUNM-OAHLLOKOSA-N 1 3 339.365 2.593 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000415138321 312101407 /nfs/dbraw/zinc/10/14/07/312101407.db2.gz YZONMQAVESKUNM-OAHLLOKOSA-N 1 3 339.365 2.593 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H](C)NC[C@@H]2C)cc1 ZINC000415173386 312108237 /nfs/dbraw/zinc/10/82/37/312108237.db2.gz BEZLWHZDTDRJOK-CVEARBPZSA-N 1 3 348.491 2.621 20 0 EFADHO Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415204685 312113391 /nfs/dbraw/zinc/11/33/91/312113391.db2.gz OLHCUPFIIAISLL-CVEARBPZSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415204691 312113563 /nfs/dbraw/zinc/11/35/63/312113563.db2.gz OLHCUPFIIAISLL-JKSUJKDBSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415205009 312113875 /nfs/dbraw/zinc/11/38/75/312113875.db2.gz QBOCWLAQFQQPFK-JKSUJKDBSA-N 1 3 348.491 2.574 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000415259904 312122193 /nfs/dbraw/zinc/12/21/93/312122193.db2.gz WCMWFFSPGQLWFF-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000415259904 312122194 /nfs/dbraw/zinc/12/21/94/312122194.db2.gz WCMWFFSPGQLWFF-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000415259903 312122357 /nfs/dbraw/zinc/12/23/57/312122357.db2.gz WCMWFFSPGQLWFF-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000415259903 312122360 /nfs/dbraw/zinc/12/23/60/312122360.db2.gz WCMWFFSPGQLWFF-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415880167 312178778 /nfs/dbraw/zinc/17/87/78/312178778.db2.gz DSABWQNREDCARQ-LJQANCHMSA-N 1 3 342.487 2.718 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415880167 312178779 /nfs/dbraw/zinc/17/87/79/312178779.db2.gz DSABWQNREDCARQ-LJQANCHMSA-N 1 3 342.487 2.718 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415880189 312178830 /nfs/dbraw/zinc/17/88/30/312178830.db2.gz DWDBQMQNYFVAQQ-UHFFFAOYSA-N 1 3 344.503 2.918 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415888167 312180119 /nfs/dbraw/zinc/18/01/19/312180119.db2.gz YZOUWJGFNIZRLP-HNNXBMFYSA-N 1 3 330.476 2.528 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415888167 312180120 /nfs/dbraw/zinc/18/01/20/312180120.db2.gz YZOUWJGFNIZRLP-HNNXBMFYSA-N 1 3 330.476 2.528 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000415889911 312180134 /nfs/dbraw/zinc/18/01/34/312180134.db2.gz CKJPZIBWOHWGDK-UHFFFAOYSA-N 1 3 332.492 2.915 20 0 EFADHO CN1CC=C(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415959067 312185251 /nfs/dbraw/zinc/18/52/51/312185251.db2.gz YKLQQXABUDGITD-UHFFFAOYSA-N 1 3 342.365 2.548 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000415978541 312189103 /nfs/dbraw/zinc/18/91/03/312189103.db2.gz PNALEGHHISEBEZ-UHFFFAOYSA-N 1 3 338.455 2.715 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000415982949 312190383 /nfs/dbraw/zinc/19/03/83/312190383.db2.gz FNHKHJIPGIXHEF-GOSISDBHSA-N 1 3 326.444 2.830 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417329759 312209986 /nfs/dbraw/zinc/20/99/86/312209986.db2.gz NJBCKRMNNCJJPE-IRXDYDNUSA-N 1 3 338.540 2.657 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417329760 312209995 /nfs/dbraw/zinc/20/99/95/312209995.db2.gz NJBCKRMNNCJJPE-SJORKVTESA-N 1 3 338.540 2.657 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])N2CCCC2)cc1 ZINC000417350645 312212575 /nfs/dbraw/zinc/21/25/75/312212575.db2.gz ASGCXSYGWQUVCP-SFHVURJKSA-N 1 3 346.519 2.758 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000417354502 312213444 /nfs/dbraw/zinc/21/34/44/312213444.db2.gz LZWSNMUSTHANMT-OALUTQOASA-N 1 3 346.519 2.805 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000417358195 312213833 /nfs/dbraw/zinc/21/38/33/312213833.db2.gz SUQUPSISZYPSQN-ACBHZAAOSA-N 1 3 344.503 2.701 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000417362359 312214555 /nfs/dbraw/zinc/21/45/55/312214555.db2.gz ZYYMHDFSDAQDDE-IBGZPJMESA-N 1 3 344.503 2.525 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417446809 312224332 /nfs/dbraw/zinc/22/43/32/312224332.db2.gz NHTLQADDXBYMCP-BEFAXECRSA-N 1 3 342.487 2.869 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417446809 312224333 /nfs/dbraw/zinc/22/43/33/312224333.db2.gz NHTLQADDXBYMCP-BEFAXECRSA-N 1 3 342.487 2.869 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417446811 312224418 /nfs/dbraw/zinc/22/44/18/312224418.db2.gz NHTLQADDXBYMCP-HNAYVOBHSA-N 1 3 342.487 2.869 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417446811 312224421 /nfs/dbraw/zinc/22/44/21/312224421.db2.gz NHTLQADDXBYMCP-HNAYVOBHSA-N 1 3 342.487 2.869 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000417481454 312228939 /nfs/dbraw/zinc/22/89/39/312228939.db2.gz HMIBPBZLHCERMX-GOSISDBHSA-N 1 3 332.492 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000417481454 312228941 /nfs/dbraw/zinc/22/89/41/312228941.db2.gz HMIBPBZLHCERMX-GOSISDBHSA-N 1 3 332.492 2.593 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000417510041 312232595 /nfs/dbraw/zinc/23/25/95/312232595.db2.gz SIZIYWJHZXZGKF-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000417510041 312232597 /nfs/dbraw/zinc/23/25/97/312232597.db2.gz SIZIYWJHZXZGKF-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000417624461 312249035 /nfs/dbraw/zinc/24/90/35/312249035.db2.gz KSXPUQVQKUWUDW-UZLBHIALSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccccc1 ZINC000417630812 312249722 /nfs/dbraw/zinc/24/97/22/312249722.db2.gz RQJCFVKXQGZGKK-PMPSAXMXSA-N 1 3 332.492 2.508 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000417630810 312249857 /nfs/dbraw/zinc/24/98/57/312249857.db2.gz RQJCFVKXQGZGKK-JYJNAYRXSA-N 1 3 332.492 2.508 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417694541 312257902 /nfs/dbraw/zinc/25/79/02/312257902.db2.gz SIENUMKNAREBAJ-INIZCTEOSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417697940 312258255 /nfs/dbraw/zinc/25/82/55/312258255.db2.gz XCFGQSALRGMWCM-GVDBMIGSSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417710899 312259642 /nfs/dbraw/zinc/25/96/42/312259642.db2.gz VHLQZLPJKBNAPT-JQHSSLGASA-N 1 3 346.519 2.933 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417811526 312273316 /nfs/dbraw/zinc/27/33/16/312273316.db2.gz DFJAKTLNNKVPAV-MSOLQXFVSA-N 1 3 327.472 2.980 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417816045 312273958 /nfs/dbraw/zinc/27/39/58/312273958.db2.gz BYUNKCXBEFCFPF-QRQLOZEOSA-N 1 3 346.519 2.570 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417827180 312276882 /nfs/dbraw/zinc/27/68/82/312276882.db2.gz CWSMKDMOSXTBSY-YTQUADARSA-N 1 3 346.519 2.712 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417827174 312276934 /nfs/dbraw/zinc/27/69/34/312276934.db2.gz CWSMKDMOSXTBSY-BHIYHBOVSA-N 1 3 346.519 2.712 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000417852881 312282310 /nfs/dbraw/zinc/28/23/10/312282310.db2.gz ZSQNZRLFQITZMM-WMZOPIPTSA-N 1 3 346.519 2.856 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417870096 312286404 /nfs/dbraw/zinc/28/64/04/312286404.db2.gz IIYLSXLSBADVKH-QXAKKESOSA-N 1 3 346.519 2.664 20 0 EFADHO CCn1cncc1C[NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000417895492 312291089 /nfs/dbraw/zinc/29/10/89/312291089.db2.gz OLRAGVNNUFLPBJ-UHFFFAOYSA-N 1 3 342.487 2.913 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418031723 312312678 /nfs/dbraw/zinc/31/26/78/312312678.db2.gz LDACZDJCHVBSMM-MOPGFXCFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418032917 312312874 /nfs/dbraw/zinc/31/28/74/312312874.db2.gz MUKXMGPWGZCJRY-MOPGFXCFSA-N 1 3 346.519 2.584 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH3+])CC1 ZINC000418038522 312314422 /nfs/dbraw/zinc/31/44/22/312314422.db2.gz SCVHZLIDNXABRK-CTWPCTMYSA-N 1 3 346.519 2.712 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000418037754 312314605 /nfs/dbraw/zinc/31/46/05/312314605.db2.gz RGCPUECZYQDWIW-NEWSRXKRSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000418043445 312315216 /nfs/dbraw/zinc/31/52/16/312315216.db2.gz ZCSKBUQADBHOSC-WDSOQIARSA-N 1 3 346.519 2.522 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000418162204 312337478 /nfs/dbraw/zinc/33/74/78/312337478.db2.gz CHHXWWLUKHJIGB-RYRKJORJSA-N 1 3 334.508 2.803 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccco1 ZINC000418161887 312337547 /nfs/dbraw/zinc/33/75/47/312337547.db2.gz FKFIBTJUSHLIFP-LSDHHAIUSA-N 1 3 336.480 2.670 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000418162172 312337603 /nfs/dbraw/zinc/33/76/03/312337603.db2.gz CFCTVHKNNYPTNR-AEFFLSMTSA-N 1 3 346.519 2.675 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccco1 ZINC000418164285 312337737 /nfs/dbraw/zinc/33/77/37/312337737.db2.gz ICGCRPPBUXHMEU-HRCADAONSA-N 1 3 338.496 2.724 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418171996 312339610 /nfs/dbraw/zinc/33/96/10/312339610.db2.gz WBHXJOHVBZSDEY-ARFHVFGLSA-N 1 3 336.480 2.540 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@H](C)[NH3+])CC1)N(C)C ZINC000418176390 312340250 /nfs/dbraw/zinc/34/02/50/312340250.db2.gz GWJLYHPJBRBCEY-FCEWJHQRSA-N 1 3 346.519 2.755 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NCCC[NH2+]C)c1ccc(Cl)cc1 ZINC000418180346 312341190 /nfs/dbraw/zinc/34/11/90/312341190.db2.gz KHCNRUSNPFVBDD-MRXNPFEDSA-N 1 3 340.899 2.632 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418180411 312341310 /nfs/dbraw/zinc/34/13/10/312341310.db2.gz YJPMRDQXSYMTTR-QGZVFWFLSA-N 1 3 338.540 2.849 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(Cl)cc1 ZINC000418182715 312341572 /nfs/dbraw/zinc/34/15/72/312341572.db2.gz NFWKIILJAVBCIL-OAHLLOKOSA-N 1 3 340.899 2.759 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418182953 312341783 /nfs/dbraw/zinc/34/17/83/312341783.db2.gz NNRRUNUZNQVTGC-NVXWUHKLSA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)N(C)C ZINC000418189795 312343139 /nfs/dbraw/zinc/34/31/39/312343139.db2.gz VRUZZXWMSSAFOF-RMRDIRSESA-N 1 3 346.519 2.613 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418190199 312343409 /nfs/dbraw/zinc/34/34/09/312343409.db2.gz WFAIZUSAEPYEAV-BBRMVZONSA-N 1 3 340.899 2.617 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418190861 312343529 /nfs/dbraw/zinc/34/35/29/312343529.db2.gz JVVAUOGUQVZQRD-VQIMIIECSA-N 1 3 348.535 2.914 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NC[C@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000418192017 312343779 /nfs/dbraw/zinc/34/37/79/312343779.db2.gz YBELRDHUVWRMRZ-HZPDHXFCSA-N 1 3 340.899 2.759 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418191947 312343789 /nfs/dbraw/zinc/34/37/89/312343789.db2.gz LTGICOGIOGRYGZ-KRWDZBQOSA-N 1 3 334.508 2.524 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C ZINC000418193728 312344357 /nfs/dbraw/zinc/34/43/57/312344357.db2.gz ZQUJOPDHUZXVNQ-AOIWGVFYSA-N 1 3 346.519 2.757 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1)N(C)C ZINC000418192439 312344366 /nfs/dbraw/zinc/34/43/66/312344366.db2.gz YTIBHDJXKCJSPS-VQIMIIECSA-N 1 3 344.503 2.595 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418198304 312345576 /nfs/dbraw/zinc/34/55/76/312345576.db2.gz LGCPZEBERUDZJS-YJBOKZPZSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418198304 312345577 /nfs/dbraw/zinc/34/55/77/312345577.db2.gz LGCPZEBERUDZJS-YJBOKZPZSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418213959 312348027 /nfs/dbraw/zinc/34/80/27/312348027.db2.gz LHPRGXPQJHBVKG-IBGZPJMESA-N 1 3 346.519 2.683 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418220522 312349047 /nfs/dbraw/zinc/34/90/47/312349047.db2.gz UUUZZXXNUCMAPX-QAPCUYQASA-N 1 3 334.508 2.526 20 0 EFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420342469 312362230 /nfs/dbraw/zinc/36/22/30/312362230.db2.gz PKLIZGRPILQUDB-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420342472 312362364 /nfs/dbraw/zinc/36/23/64/312362364.db2.gz PKLIZGRPILQUDB-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342882 312362525 /nfs/dbraw/zinc/36/25/25/312362525.db2.gz QJYHABUIVQRQIE-NBMJBFSESA-N 1 3 341.499 2.674 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344085 312362714 /nfs/dbraw/zinc/36/27/14/312362714.db2.gz RZBGDXAPMRRKPA-PWIZWCRZSA-N 1 3 343.515 2.748 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1Cl ZINC000420343855 312363117 /nfs/dbraw/zinc/36/31/17/312363117.db2.gz RPQCBWIHLWLJHT-ARFHVFGLSA-N 1 3 349.906 2.839 20 0 EFADHO Cc1ccc([C@]2(C)CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC000420354847 312363478 /nfs/dbraw/zinc/36/34/78/312363478.db2.gz DOZJFRBZPSPQGD-FDFHNCONSA-N 1 3 338.495 2.889 20 0 EFADHO Cc1ccc([C@]2(C)CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC000420354847 312363479 /nfs/dbraw/zinc/36/34/79/312363479.db2.gz DOZJFRBZPSPQGD-FDFHNCONSA-N 1 3 338.495 2.889 20 0 EFADHO Cc1ccc([C@]2(C)CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC000420354847 312363481 /nfs/dbraw/zinc/36/34/81/312363481.db2.gz DOZJFRBZPSPQGD-FDFHNCONSA-N 1 3 338.495 2.889 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000420766520 312386191 /nfs/dbraw/zinc/38/61/91/312386191.db2.gz SEARQHXVLOGKED-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000420766520 312386193 /nfs/dbraw/zinc/38/61/93/312386193.db2.gz SEARQHXVLOGKED-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCCN1C ZINC000420769854 312386942 /nfs/dbraw/zinc/38/69/42/312386942.db2.gz YEJXHUKFDQIGQK-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423260263 312412430 /nfs/dbraw/zinc/41/24/30/312412430.db2.gz PSYVHOWHLBUVSL-UONOGXRCSA-N 1 3 333.867 2.961 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000423351724 312414270 /nfs/dbraw/zinc/41/42/70/312414270.db2.gz IWVMGDBRDZBGQN-AEFFLSMTSA-N 1 3 331.504 2.951 20 0 EFADHO Fc1ccc([C@@H]2CCNC[C@H]2[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000423364046 312415779 /nfs/dbraw/zinc/41/57/79/312415779.db2.gz JHFXSSDOODXNKV-QFBILLFUSA-N 1 3 335.442 2.627 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[C@H](C)CCN3)c2)CC1 ZINC000423361817 312415787 /nfs/dbraw/zinc/41/57/87/312415787.db2.gz SAAGZWZOIYOINU-YLJYHZDGSA-N 1 3 343.515 2.923 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[C@H](C)CCN3)c2)CC1 ZINC000423361816 312415840 /nfs/dbraw/zinc/41/58/40/312415840.db2.gz SAAGZWZOIYOINU-XLIONFOSSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000423365514 312416428 /nfs/dbraw/zinc/41/64/28/312416428.db2.gz KHGWTKXTSVAHDH-ZBFHGGJFSA-N 1 3 330.476 2.519 20 0 EFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423371748 312416715 /nfs/dbraw/zinc/41/67/15/312416715.db2.gz ATWUEDWOJRMCPL-GJZGRUSLSA-N 1 3 333.373 2.703 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423384754 312418513 /nfs/dbraw/zinc/41/85/13/312418513.db2.gz HYXFNQJFLTWWMU-UHOFOFEASA-N 1 3 327.394 2.661 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423385297 312418567 /nfs/dbraw/zinc/41/85/67/312418567.db2.gz KKROAOVBFWYCIM-HUUCEWRRSA-N 1 3 347.812 2.753 20 0 EFADHO CC1(C)Cc2occc2[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423391911 312419071 /nfs/dbraw/zinc/41/90/71/312419071.db2.gz PSFQTHMVMBYJBF-HIFRSBDPSA-N 1 3 345.409 2.719 20 0 EFADHO Cc1c([C@H](C)NC[C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423468769 312421062 /nfs/dbraw/zinc/42/10/62/312421062.db2.gz UUOQXNXVDLUTTQ-NOLJZWGESA-N 1 3 331.439 2.883 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000423768892 312451041 /nfs/dbraw/zinc/45/10/41/312451041.db2.gz XNALCZOZIKCGHR-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423782729 312452725 /nfs/dbraw/zinc/45/27/25/312452725.db2.gz JBIFWHQUKQLMTK-RBUKOAKNSA-N 1 3 344.503 2.712 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423964415 312490108 /nfs/dbraw/zinc/49/01/08/312490108.db2.gz QDZDNHCHASXULS-MRXNPFEDSA-N 1 3 329.444 2.742 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453358262 312892606 /nfs/dbraw/zinc/89/26/06/312892606.db2.gz SIHKXHNRGAUUEJ-CVEARBPZSA-N 1 3 330.476 2.642 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CCN(C4CC4)CC3)ccc21 ZINC000455856134 312992943 /nfs/dbraw/zinc/99/29/43/312992943.db2.gz HEPTUMUXCUJUEJ-IBGZPJMESA-N 1 3 342.487 2.984 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048618 313062132 /nfs/dbraw/zinc/06/21/32/313062132.db2.gz OLLFVMKNCYQTEK-MOPGFXCFSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048618 313062135 /nfs/dbraw/zinc/06/21/35/313062135.db2.gz OLLFVMKNCYQTEK-MOPGFXCFSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000458052360 313062703 /nfs/dbraw/zinc/06/27/03/313062703.db2.gz QHVVHMFPYCYKGQ-SFHVURJKSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000458131496 313076799 /nfs/dbraw/zinc/07/67/99/313076799.db2.gz GREGRHYMIBJRGM-SFHVURJKSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458263580 313097877 /nfs/dbraw/zinc/09/78/77/313097877.db2.gz AXANAEUJLOVAJI-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000458263738 313098273 /nfs/dbraw/zinc/09/82/73/313098273.db2.gz BFFCLSNFOXVJAQ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO COc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459371714 313102763 /nfs/dbraw/zinc/10/27/63/313102763.db2.gz GYYZFCPOWLQYJL-UHFFFAOYSA-N 1 3 327.428 2.728 20 0 EFADHO COc1cccc(COCC[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459442933 313107050 /nfs/dbraw/zinc/10/70/50/313107050.db2.gz APUUWUMXUQSHKU-UHFFFAOYSA-N 1 3 341.455 2.865 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471767503 313157749 /nfs/dbraw/zinc/15/77/49/313157749.db2.gz HHZPBJZGXLPERE-RTBURBONSA-N 1 3 331.504 2.525 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471767501 313157852 /nfs/dbraw/zinc/15/78/52/313157852.db2.gz HHZPBJZGXLPERE-OALUTQOASA-N 1 3 331.504 2.525 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000475034435 313214881 /nfs/dbraw/zinc/21/48/81/313214881.db2.gz VLEBVXWXSYIPNC-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000475034435 313214885 /nfs/dbraw/zinc/21/48/85/313214885.db2.gz VLEBVXWXSYIPNC-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]2CCCC[C@@H]21 ZINC000475134024 313218515 /nfs/dbraw/zinc/21/85/15/313218515.db2.gz ZLSBMUISNCBAPB-VBSBHUPXSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]2CCCC[C@@H]21 ZINC000475134024 313218518 /nfs/dbraw/zinc/21/85/18/313218518.db2.gz ZLSBMUISNCBAPB-VBSBHUPXSA-N 1 3 343.515 2.916 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)CNC(C)(C)c1cccs1)c1ccccc1 ZINC000475144227 313219329 /nfs/dbraw/zinc/21/93/29/313219329.db2.gz GLBRBTLJRIZSPV-INIZCTEOSA-N 1 3 345.512 2.992 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000478891656 313257917 /nfs/dbraw/zinc/25/79/17/313257917.db2.gz AWBXOFCPLOQSGN-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N1CCc2ccccc2C1 ZINC000478936948 313258672 /nfs/dbraw/zinc/25/86/72/313258672.db2.gz WSRMRWVCKPCEHU-XKGZKEIXSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479347414 313266345 /nfs/dbraw/zinc/26/63/45/313266345.db2.gz QSXKOVFIXIDPJD-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479347414 313266347 /nfs/dbraw/zinc/26/63/47/313266347.db2.gz QSXKOVFIXIDPJD-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCN1CCC(C)CC1 ZINC000479391558 313267491 /nfs/dbraw/zinc/26/74/91/313267491.db2.gz QRIVUTBXROGUBE-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCCC1(C)C)c1ccccc1 ZINC000481168007 313288033 /nfs/dbraw/zinc/28/80/33/313288033.db2.gz BEWZAJGHBZYYTO-QZTJIDSGSA-N 1 3 331.504 2.964 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000483603283 313313820 /nfs/dbraw/zinc/31/38/20/313313820.db2.gz DZKTWOMTWLRSPN-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000483810326 313316016 /nfs/dbraw/zinc/31/60/16/313316016.db2.gz UDFZSAYVTGXKOS-UHQDVWGKSA-N 1 3 342.886 2.948 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000483810326 313316017 /nfs/dbraw/zinc/31/60/17/313316017.db2.gz UDFZSAYVTGXKOS-UHQDVWGKSA-N 1 3 342.886 2.948 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CCCC1 ZINC000484777521 313323319 /nfs/dbraw/zinc/32/33/19/313323319.db2.gz QVLGJMHVKXQBHO-NMLBUPMWSA-N 1 3 337.552 2.634 20 0 EFADHO CCOc1c(Cl)cccc1C[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000486947603 313350887 /nfs/dbraw/zinc/35/08/87/313350887.db2.gz VXGFUNNNMCSLJT-HNNXBMFYSA-N 1 3 339.911 2.854 20 0 EFADHO CC[C@@H]1CN(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000487163143 313371788 /nfs/dbraw/zinc/37/17/88/313371788.db2.gz VZNDLKBISJYVQE-HXUWFJFHSA-N 1 3 347.547 2.845 20 0 EFADHO CC[C@@H]1CN(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000487163143 313371792 /nfs/dbraw/zinc/37/17/92/313371792.db2.gz VZNDLKBISJYVQE-HXUWFJFHSA-N 1 3 347.547 2.845 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487269473 313381509 /nfs/dbraw/zinc/38/15/09/313381509.db2.gz IGPOCRQOXUMQAR-ONEGZZNKSA-N 1 3 325.456 2.868 20 0 EFADHO CN1CCC(C[NH2+]C/C=C/c2ccncc2)(N2CCCCC2)CC1 ZINC000487299103 313383745 /nfs/dbraw/zinc/38/37/45/313383745.db2.gz TYDWXPUMZMQTRN-AATRIKPKSA-N 1 3 328.504 2.635 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000487325740 313385875 /nfs/dbraw/zinc/38/58/75/313385875.db2.gz PDGJIIIVSRQHQW-ONEGZZNKSA-N 1 3 337.467 2.841 20 0 EFADHO OC1CC[NH+](Cc2ccccc2CNC/C=C/c2ccncc2)CC1 ZINC000487325740 313385878 /nfs/dbraw/zinc/38/58/78/313385878.db2.gz PDGJIIIVSRQHQW-ONEGZZNKSA-N 1 3 337.467 2.841 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000487425178 313392182 /nfs/dbraw/zinc/39/21/82/313392182.db2.gz FJBVNWFDBRFFQM-JXFKEZNVSA-N 1 3 331.504 2.834 20 0 EFADHO O=C(/C=C/c1ccccc1)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000493426629 314352514 /nfs/dbraw/zinc/35/25/14/314352514.db2.gz QHFUFERWIGCKCR-RPJICSBVSA-N 1 3 341.499 2.716 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496295347 315016302 /nfs/dbraw/zinc/01/63/02/315016302.db2.gz SAOHTMRGMRPSOJ-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496295347 315016303 /nfs/dbraw/zinc/01/63/03/315016303.db2.gz SAOHTMRGMRPSOJ-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2=CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496295382 315016690 /nfs/dbraw/zinc/01/66/90/315016690.db2.gz OWQGMUMRUVTCEO-RDJZCZTQSA-N 1 3 337.508 2.874 20 0 EFADHO CC[C@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000496319573 315025950 /nfs/dbraw/zinc/02/59/50/315025950.db2.gz CXVGVXSJVCEWQE-OAHLLOKOSA-N 1 3 325.497 2.754 20 0 EFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000496422681 315062288 /nfs/dbraw/zinc/06/22/88/315062288.db2.gz XMYJHYMDTWSGSE-KURKYZTESA-N 1 3 331.460 2.918 20 0 EFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000496422682 315062436 /nfs/dbraw/zinc/06/24/36/315062436.db2.gz XMYJHYMDTWSGSE-KZNAEPCWSA-N 1 3 331.460 2.918 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496451058 315070096 /nfs/dbraw/zinc/07/00/96/315070096.db2.gz FEIICWYCVBQEPX-FRQCXROJSA-N 1 3 337.508 2.517 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496451058 315070098 /nfs/dbraw/zinc/07/00/98/315070098.db2.gz FEIICWYCVBQEPX-FRQCXROJSA-N 1 3 337.508 2.517 20 0 EFADHO COC(=O)N1CCC([C@H](C)N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000496480497 315082493 /nfs/dbraw/zinc/08/24/93/315082493.db2.gz LADMKLUUBGPJKU-YQQAZPJKSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542143 315103776 /nfs/dbraw/zinc/10/37/76/315103776.db2.gz HWRCMMSBBLPDCJ-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542143 315103777 /nfs/dbraw/zinc/10/37/77/315103777.db2.gz HWRCMMSBBLPDCJ-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000496548029 315106531 /nfs/dbraw/zinc/10/65/31/315106531.db2.gz GVHBTQHSVMRRBQ-MAUKXSAKSA-N 1 3 345.487 2.679 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577095 315117498 /nfs/dbraw/zinc/11/74/98/315117498.db2.gz HAGWCHISBFIYHO-QKPAOTATSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577095 315117501 /nfs/dbraw/zinc/11/75/01/315117501.db2.gz HAGWCHISBFIYHO-QKPAOTATSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809736 315204058 /nfs/dbraw/zinc/20/40/58/315204058.db2.gz NJSRSUVZZNGKKN-LUKYLMHMSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809736 315204060 /nfs/dbraw/zinc/20/40/60/315204060.db2.gz NJSRSUVZZNGKKN-LUKYLMHMSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960773 315258774 /nfs/dbraw/zinc/25/87/74/315258774.db2.gz USTXPIGKYNFGEY-LPHOPBHVSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[C@@H](CN)C[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960773 315258777 /nfs/dbraw/zinc/25/87/77/315258777.db2.gz USTXPIGKYNFGEY-LPHOPBHVSA-N 1 3 345.487 2.704 20 0 EFADHO O=C1O[C@@]2(CN1CN1CCC[C@H]1C1CCCC1)C[NH+]1CCC2CC1 ZINC000497033655 315285652 /nfs/dbraw/zinc/28/56/52/315285652.db2.gz CDFIDFJZVXPWBD-PKOBYXMFSA-N 1 3 333.476 2.515 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497161159 315332726 /nfs/dbraw/zinc/33/27/26/315332726.db2.gz OUHABIGGNNWDAK-HNNXBMFYSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2CCC[NH3+])C1 ZINC000497176323 315337946 /nfs/dbraw/zinc/33/79/46/315337946.db2.gz HQZJMEKPXIKKJO-JKSUJKDBSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CCCN)C1 ZINC000497176323 315337948 /nfs/dbraw/zinc/33/79/48/315337948.db2.gz HQZJMEKPXIKKJO-JKSUJKDBSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2CCCN)C1 ZINC000497176323 315337950 /nfs/dbraw/zinc/33/79/50/315337950.db2.gz HQZJMEKPXIKKJO-JKSUJKDBSA-N 1 3 325.497 2.837 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000497288997 315381334 /nfs/dbraw/zinc/38/13/34/315381334.db2.gz JANFEKJRMYIKQJ-MRXNPFEDSA-N 1 3 337.508 2.946 20 0 EFADHO C[C@@H](NC1CC[NH+](CC2CC2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000497304412 315386585 /nfs/dbraw/zinc/38/65/85/315386585.db2.gz LZOLTIBYDJQVNZ-KGLIPLIRSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCCNC2CC2)CC1 ZINC000497305194 315386701 /nfs/dbraw/zinc/38/67/01/315386701.db2.gz NXGNEROFVOLGDE-MRXNPFEDSA-N 1 3 331.460 2.772 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000505728151 315464336 /nfs/dbraw/zinc/46/43/36/315464336.db2.gz YCCNMVVKENTRNH-HKUYNNGSSA-N 1 3 346.519 2.771 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H](N)C3)cc2c(OC)c1 ZINC000514738835 315559597 /nfs/dbraw/zinc/55/95/97/315559597.db2.gz LDQODMUVBRWBFF-UONOGXRCSA-N 1 3 331.460 2.977 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000514870995 315571722 /nfs/dbraw/zinc/57/17/22/315571722.db2.gz OYEMHMBMBCPCQA-HXUWFJFHSA-N 1 3 331.504 2.556 20 0 EFADHO Cc1ccc(NC(=O)CCNCc2ccc(CC[NH+](C)C)cc2)nc1 ZINC000518171089 315798843 /nfs/dbraw/zinc/79/88/43/315798843.db2.gz PINXNKRXYJBWIT-UHFFFAOYSA-N 1 3 340.471 2.613 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C)[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000518396997 315810921 /nfs/dbraw/zinc/81/09/21/315810921.db2.gz LNNGSIMUACGHCX-SWLSCSKDSA-N 1 3 345.409 2.812 20 0 EFADHO [NH3+][C@H](CCC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000519546377 315871082 /nfs/dbraw/zinc/87/10/82/315871082.db2.gz YYHFNLXSNKTXDC-LJQANCHMSA-N 1 3 329.488 2.944 20 0 EFADHO Cc1cccc(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000521862844 316047731 /nfs/dbraw/zinc/04/77/31/316047731.db2.gz MKALVFPEUQGEHU-IBGZPJMESA-N 1 3 328.456 2.586 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000521910993 316052123 /nfs/dbraw/zinc/05/21/23/316052123.db2.gz BXLFPYPYGZLKBR-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000521910993 316052124 /nfs/dbraw/zinc/05/21/24/316052124.db2.gz BXLFPYPYGZLKBR-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(C)c1 ZINC000523094179 316110778 /nfs/dbraw/zinc/11/07/78/316110778.db2.gz OYDCJKJYUREIIH-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccc(C)c1 ZINC000523094179 316110780 /nfs/dbraw/zinc/11/07/80/316110780.db2.gz OYDCJKJYUREIIH-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1cccc(OC[C@H](O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156049 316148341 /nfs/dbraw/zinc/14/83/41/316148341.db2.gz DODUOHVQMRMXJJ-LJQANCHMSA-N 1 3 334.504 2.787 20 0 EFADHO Cc1cccc(OC[C@H](O)CN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000524156049 316148343 /nfs/dbraw/zinc/14/83/43/316148343.db2.gz DODUOHVQMRMXJJ-LJQANCHMSA-N 1 3 334.504 2.787 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1)C1CC1 ZINC000525292674 316207368 /nfs/dbraw/zinc/20/73/68/316207368.db2.gz NRAZRIOZGBYPHL-INIZCTEOSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1)C1CC1 ZINC000525292674 316207372 /nfs/dbraw/zinc/20/73/72/316207372.db2.gz NRAZRIOZGBYPHL-INIZCTEOSA-N 1 3 329.488 2.743 20 0 EFADHO O=C1[C@@H]([NH2+]C2CCN(CC3CC3)CC2)CCCN1C1CCCCC1 ZINC000525954962 316262883 /nfs/dbraw/zinc/26/28/83/316262883.db2.gz WCFLLXCJMJVQCR-IBGZPJMESA-N 1 3 333.520 2.774 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000527348326 316371531 /nfs/dbraw/zinc/37/15/31/316371531.db2.gz PKEHPISROOZSEK-PKOBYXMFSA-N 1 3 327.476 2.649 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000527348326 316371533 /nfs/dbraw/zinc/37/15/33/316371533.db2.gz PKEHPISROOZSEK-PKOBYXMFSA-N 1 3 327.476 2.649 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527641534 316420319 /nfs/dbraw/zinc/42/03/19/316420319.db2.gz VLJQKGZKOXTIPN-LBPRGKRZSA-N 1 3 335.439 2.883 20 0 EFADHO Cn1cc2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2n1 ZINC000530216301 317083196 /nfs/dbraw/zinc/08/31/96/317083196.db2.gz AFWFXWMOQFAUQJ-TZIWHRDSSA-N 1 3 348.450 2.919 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000530667775 317162181 /nfs/dbraw/zinc/16/21/81/317162181.db2.gz WJAPRSJAJHBQIG-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000530667775 317162184 /nfs/dbraw/zinc/16/21/84/317162184.db2.gz WJAPRSJAJHBQIG-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(CCCC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)s1 ZINC000530761179 317176382 /nfs/dbraw/zinc/17/63/82/317176382.db2.gz NQEOQUNHRINWMM-UHFFFAOYSA-N 1 3 339.549 2.639 20 0 EFADHO CC[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000531119352 317222359 /nfs/dbraw/zinc/22/23/59/317222359.db2.gz DZMFLPPQYDWJRQ-SFHVURJKSA-N 1 3 333.520 2.831 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000531482635 317273624 /nfs/dbraw/zinc/27/36/24/317273624.db2.gz NAGNPURGNLEWCD-KDOFPFPSSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000531482635 317273629 /nfs/dbraw/zinc/27/36/29/317273629.db2.gz NAGNPURGNLEWCD-KDOFPFPSSA-N 1 3 336.439 2.602 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2ccccc2n1 ZINC000531686848 317300936 /nfs/dbraw/zinc/30/09/36/317300936.db2.gz GKEJPTZGLILCDF-KRWDZBQOSA-N 1 3 326.488 2.913 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959418 317336478 /nfs/dbraw/zinc/33/64/78/317336478.db2.gz PDOSPSHRSJLHAL-QZTJIDSGSA-N 1 3 333.520 2.928 20 0 EFADHO CN(CCNC(=O)CC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000547430692 318007378 /nfs/dbraw/zinc/00/73/78/318007378.db2.gz SDWUQRFRYXTMQA-UHFFFAOYSA-N 1 3 331.504 2.889 20 0 EFADHO CN(CCNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000547430692 318007380 /nfs/dbraw/zinc/00/73/80/318007380.db2.gz SDWUQRFRYXTMQA-UHFFFAOYSA-N 1 3 331.504 2.889 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548362509 318098964 /nfs/dbraw/zinc/09/89/64/318098964.db2.gz QOHFJYCGQSJBME-IRXDYDNUSA-N 1 3 346.500 2.606 20 0 EFADHO C[C@@H]1CCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548695002 318133581 /nfs/dbraw/zinc/13/35/81/318133581.db2.gz DNXIRBPHENTCQX-GOSISDBHSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000552032701 318238826 /nfs/dbraw/zinc/23/88/26/318238826.db2.gz FBEGHXJRMMSZBP-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO O=C(C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)NCCN1CCCCCC1 ZINC000552064609 318241138 /nfs/dbraw/zinc/24/11/38/318241138.db2.gz BBBKWTLXOYTTDL-VQTJNVASSA-N 1 3 343.515 2.905 20 0 EFADHO C[C@@H](CCc1cccc(F)c1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552280543 318251177 /nfs/dbraw/zinc/25/11/77/318251177.db2.gz KVWGFJUXJGMMBP-KRWDZBQOSA-N 1 3 349.494 2.729 20 0 EFADHO C[C@H](CCc1cccc(F)c1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000552280544 318251449 /nfs/dbraw/zinc/25/14/49/318251449.db2.gz KVWGFJUXJGMMBP-QGZVFWFLSA-N 1 3 349.494 2.729 20 0 EFADHO CC[C@@H](CNC(=O)CCCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000552547096 318259208 /nfs/dbraw/zinc/25/92/08/318259208.db2.gz PAFWEWLDXXEMFY-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675140 318261032 /nfs/dbraw/zinc/26/10/32/318261032.db2.gz KLBIQKVQJLTCBQ-RDJZCZTQSA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675140 318261033 /nfs/dbraw/zinc/26/10/33/318261033.db2.gz KLBIQKVQJLTCBQ-RDJZCZTQSA-N 1 3 337.895 2.791 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000553179192 318273376 /nfs/dbraw/zinc/27/33/76/318273376.db2.gz SRFRUAZUKGMJMB-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554217577 318303722 /nfs/dbraw/zinc/30/37/22/318303722.db2.gz CTOZSXVVQDSGPI-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554217580 318303903 /nfs/dbraw/zinc/30/39/03/318303903.db2.gz CTOZSXVVQDSGPI-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000554264054 318305567 /nfs/dbraw/zinc/30/55/67/318305567.db2.gz LIXBVXNPEYARCB-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554264054 318305570 /nfs/dbraw/zinc/30/55/70/318305570.db2.gz LIXBVXNPEYARCB-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)no1 ZINC000554888315 318339556 /nfs/dbraw/zinc/33/95/56/318339556.db2.gz BVWOQWWQIBFGQG-KDOFPFPSSA-N 1 3 344.459 2.729 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@H]3CC[N@H+](C)C[C@H]3C)cc2)no1 ZINC000554888315 318339559 /nfs/dbraw/zinc/33/95/59/318339559.db2.gz BVWOQWWQIBFGQG-KDOFPFPSSA-N 1 3 344.459 2.729 20 0 EFADHO COC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(Cl)c1 ZINC000554997016 318342942 /nfs/dbraw/zinc/34/29/42/318342942.db2.gz HLHMJJRDWSYAGB-SFHVURJKSA-N 1 3 339.911 2.645 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563561385 318797318 /nfs/dbraw/zinc/79/73/18/318797318.db2.gz HTCKEKBHZRHNCE-QRQLOZEOSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000564432055 318862629 /nfs/dbraw/zinc/86/26/29/318862629.db2.gz WLZHMWCDMZMBMD-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000564844693 318898794 /nfs/dbraw/zinc/89/87/94/318898794.db2.gz LRCOVMOGAOZSNE-UTKZUKDTSA-N 1 3 342.483 2.881 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1NCCc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000565352885 318961488 /nfs/dbraw/zinc/96/14/88/318961488.db2.gz JJQZIFODFCGUNY-RBUKOAKNSA-N 1 3 337.467 2.716 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000565764732 319000070 /nfs/dbraw/zinc/00/00/70/319000070.db2.gz ONCMQZIGSXBRGJ-YTQUADARSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000565832520 319007079 /nfs/dbraw/zinc/00/70/79/319007079.db2.gz YOVVKRPDHZXZGQ-QAPCUYQASA-N 1 3 338.455 2.952 20 0 EFADHO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000565832518 319007357 /nfs/dbraw/zinc/00/73/57/319007357.db2.gz YOVVKRPDHZXZGQ-CRAIPNDOSA-N 1 3 338.455 2.952 20 0 EFADHO Cc1ccccc1OC[C@H](O)CNCc1cccc(C[NH+](C)C)c1 ZINC000565945575 319016816 /nfs/dbraw/zinc/01/68/16/319016816.db2.gz MKCYKGJQWZIYLS-LJQANCHMSA-N 1 3 328.456 2.586 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccccc1 ZINC000566092264 319031533 /nfs/dbraw/zinc/03/15/33/319031533.db2.gz VRJPTUAXRCLJSZ-RKTXRCNFSA-N 1 3 325.460 2.614 20 0 EFADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000566091159 319031693 /nfs/dbraw/zinc/03/16/93/319031693.db2.gz UVUANESOVMBLBK-LMCOJAPRSA-N 1 3 341.503 2.932 20 0 EFADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000566091159 319031695 /nfs/dbraw/zinc/03/16/95/319031695.db2.gz UVUANESOVMBLBK-LMCOJAPRSA-N 1 3 341.503 2.932 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566105892 319032733 /nfs/dbraw/zinc/03/27/33/319032733.db2.gz AHTIXMOFNZFKOX-XLIONFOSSA-N 1 3 334.504 2.796 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566105892 319032734 /nfs/dbraw/zinc/03/27/34/319032734.db2.gz AHTIXMOFNZFKOX-XLIONFOSSA-N 1 3 334.504 2.796 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNCCC(=O)Nc2cccnc2)c1 ZINC000566109091 319033776 /nfs/dbraw/zinc/03/37/76/319033776.db2.gz LIRUEXKUVAZHRO-UHFFFAOYSA-N 1 3 326.444 2.652 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNCCC(=O)Nc2cccnc2)c1 ZINC000566109091 319033778 /nfs/dbraw/zinc/03/37/78/319033778.db2.gz LIRUEXKUVAZHRO-UHFFFAOYSA-N 1 3 326.444 2.652 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000566109490 319033855 /nfs/dbraw/zinc/03/38/55/319033855.db2.gz QZKNHMBNHSBVJF-IBGZPJMESA-N 1 3 334.504 2.699 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000566156243 319041718 /nfs/dbraw/zinc/04/17/18/319041718.db2.gz SQEPRVKCYCOZOM-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000566156243 319041720 /nfs/dbraw/zinc/04/17/20/319041720.db2.gz SQEPRVKCYCOZOM-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000566288383 319057659 /nfs/dbraw/zinc/05/76/59/319057659.db2.gz DPARCRBJMDEQQG-CQSZACIVSA-N 1 3 333.476 2.721 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)C1CCCCC1 ZINC000566289018 319058158 /nfs/dbraw/zinc/05/81/58/319058158.db2.gz SWOZSJYDHZVHEN-MOPGFXCFSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000566296106 319059395 /nfs/dbraw/zinc/05/93/95/319059395.db2.gz PNYPVIXTYGSTAG-YESZJQIVSA-N 1 3 331.504 2.572 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000566447915 319077624 /nfs/dbraw/zinc/07/76/24/319077624.db2.gz PXTOPVFWZPPQHN-VQIMIIECSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000566622026 319095903 /nfs/dbraw/zinc/09/59/03/319095903.db2.gz OQSCDUSTBOQZAQ-LPHOPBHVSA-N 1 3 346.519 2.766 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000566670164 319100260 /nfs/dbraw/zinc/10/02/60/319100260.db2.gz NBIVLSWNAVAEQN-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H]1[C@H](c2ccccc2)C[C@@H]1NCc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000566909943 319121082 /nfs/dbraw/zinc/12/10/82/319121082.db2.gz SYOSXIHGOJNPMG-XKQJLSEDSA-N 1 3 325.460 2.554 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000566908888 319121106 /nfs/dbraw/zinc/12/11/06/319121106.db2.gz CPERTQJBSSMWNM-CADBVGFASA-N 1 3 342.487 2.803 20 0 EFADHO Cc1ccc([C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C2CC2)cc1 ZINC000567042429 319132729 /nfs/dbraw/zinc/13/27/29/319132729.db2.gz DNERGWZBYVKZIT-GOSISDBHSA-N 1 3 325.460 2.821 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000567123433 319141356 /nfs/dbraw/zinc/14/13/56/319141356.db2.gz HNPCCSXOOYXIDJ-MGPQQGTHSA-N 1 3 338.293 2.887 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC000567228084 319151643 /nfs/dbraw/zinc/15/16/43/319151643.db2.gz FJVZJASCCTYIKA-YLJYHZDGSA-N 1 3 342.483 2.881 20 0 EFADHO N[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000567609609 319188487 /nfs/dbraw/zinc/18/84/87/319188487.db2.gz RVQUTPNASGTFOK-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc([C@@H]3C[C@H]3C)o2)CC[NH2+]CC1 ZINC000567646848 319192128 /nfs/dbraw/zinc/19/21/28/319192128.db2.gz DUHCITPADCVCRX-IJEWVQPXSA-N 1 3 334.460 2.814 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000567648450 319192191 /nfs/dbraw/zinc/19/21/91/319192191.db2.gz YUROMULYKOMWRI-IUODEOHRSA-N 1 3 334.851 2.910 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000567647696 319192298 /nfs/dbraw/zinc/19/22/98/319192298.db2.gz LDEWGDAZNLBDGU-WFASDCNBSA-N 1 3 334.851 2.910 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000567647694 319192475 /nfs/dbraw/zinc/19/24/75/319192475.db2.gz LDEWGDAZNLBDGU-IUODEOHRSA-N 1 3 334.851 2.910 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680814 319196170 /nfs/dbraw/zinc/19/61/70/319196170.db2.gz GAAHFHVHNLGJFS-WMZOPIPTSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680814 319196171 /nfs/dbraw/zinc/19/61/71/319196171.db2.gz GAAHFHVHNLGJFS-WMZOPIPTSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680814 319196172 /nfs/dbraw/zinc/19/61/72/319196172.db2.gz GAAHFHVHNLGJFS-WMZOPIPTSA-N 1 3 340.895 2.539 20 0 EFADHO Cc1cc2ncn(C[C@@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C)c2cc1C ZINC000567689387 319197975 /nfs/dbraw/zinc/19/79/75/319197975.db2.gz JGLDPSMLJAYFSX-SJORKVTESA-N 1 3 346.519 2.580 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CCC(C)C)CC1 ZINC000567725713 319203587 /nfs/dbraw/zinc/20/35/87/319203587.db2.gz GOIGTZHHBXCXFQ-NRFANRHFSA-N 1 3 347.547 2.711 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000567746498 319206583 /nfs/dbraw/zinc/20/65/83/319206583.db2.gz RMFWAAIDTXJJJL-XHSDSOJGSA-N 1 3 335.517 2.909 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000567818130 319214406 /nfs/dbraw/zinc/21/44/06/319214406.db2.gz AQHPSCHIQSEGGR-HXUWFJFHSA-N 1 3 343.515 2.748 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1)C1CC1 ZINC000567847716 319217512 /nfs/dbraw/zinc/21/75/12/319217512.db2.gz YFKRLUNINWJGIK-WMZOPIPTSA-N 1 3 329.488 2.918 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000568043781 319240295 /nfs/dbraw/zinc/24/02/95/319240295.db2.gz ULWNTNGSNPMKDD-INIZCTEOSA-N 1 3 334.508 2.529 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052175 319241301 /nfs/dbraw/zinc/24/13/01/319241301.db2.gz PSEPKTRRCKCWAM-MDZRGWNJSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052175 319241303 /nfs/dbraw/zinc/24/13/03/319241303.db2.gz PSEPKTRRCKCWAM-MDZRGWNJSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000568188375 319255667 /nfs/dbraw/zinc/25/56/67/319255667.db2.gz DVNQSNVLRSKWNY-VOBGVNJCSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000568188375 319255668 /nfs/dbraw/zinc/25/56/68/319255668.db2.gz DVNQSNVLRSKWNY-VOBGVNJCSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCCC[C@H]1C ZINC000568193134 319256406 /nfs/dbraw/zinc/25/64/06/319256406.db2.gz BMWSMVVMSRSBNN-IAGOWNOFSA-N 1 3 331.504 2.783 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000568194627 319256580 /nfs/dbraw/zinc/25/65/80/319256580.db2.gz NWLPEBWXGPJYHO-UHFFFAOYSA-N 1 3 343.515 2.881 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000568396286 319280486 /nfs/dbraw/zinc/28/04/86/319280486.db2.gz CLYLHBIQUIPSAN-GOSISDBHSA-N 1 3 338.455 2.652 20 0 EFADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638778 319304474 /nfs/dbraw/zinc/30/44/74/319304474.db2.gz FUAPAGSMSVSFFF-RDTXWAMCSA-N 1 3 340.895 2.574 20 0 EFADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638778 319304476 /nfs/dbraw/zinc/30/44/76/319304476.db2.gz FUAPAGSMSVSFFF-RDTXWAMCSA-N 1 3 340.895 2.574 20 0 EFADHO C[C@H]([NH3+])c1ccc(CN[C@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000568868725 319325874 /nfs/dbraw/zinc/32/58/74/319325874.db2.gz BWBZFFGCFFQBKF-KSSFIOAISA-N 1 3 348.454 2.849 20 0 EFADHO C[C@H]([NH3+])c1ccc(CN[C@@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000568868723 319325940 /nfs/dbraw/zinc/32/59/40/319325940.db2.gz BWBZFFGCFFQBKF-KBXCAEBGSA-N 1 3 348.454 2.849 20 0 EFADHO COc1cccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1OC ZINC000568987612 319337844 /nfs/dbraw/zinc/33/78/44/319337844.db2.gz DZJMXPBEFAINJB-CRAIPNDOSA-N 1 3 328.456 2.794 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000569212691 319358747 /nfs/dbraw/zinc/35/87/47/319358747.db2.gz GTAIFTDVYMCXQD-MRXNPFEDSA-N 1 3 340.895 2.932 20 0 EFADHO C(CC[N@@H+]1CCOC[C@@H]1C1CCC1)CN1CCOC[C@@H]1C1CCC1 ZINC000569220141 319359496 /nfs/dbraw/zinc/35/94/96/319359496.db2.gz NXFPEZFOOAXOKA-WOJBJXKFSA-N 1 3 336.520 2.768 20 0 EFADHO C(CC[N@H+]1CCOC[C@@H]1C1CCC1)CN1CCOC[C@@H]1C1CCC1 ZINC000569220141 319359497 /nfs/dbraw/zinc/35/94/97/319359497.db2.gz NXFPEZFOOAXOKA-WOJBJXKFSA-N 1 3 336.520 2.768 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000569594903 319396023 /nfs/dbraw/zinc/39/60/23/319396023.db2.gz HOSZWAAVKPNRBX-KRWDZBQOSA-N 1 3 345.487 2.618 20 0 EFADHO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000569888945 319423721 /nfs/dbraw/zinc/42/37/21/319423721.db2.gz GUTJHSWOULENOC-LZQZEXGQSA-N 1 3 335.536 2.780 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000569944109 319430626 /nfs/dbraw/zinc/43/06/26/319430626.db2.gz KVHJMRGIMODKKS-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000570500116 319482615 /nfs/dbraw/zinc/48/26/15/319482615.db2.gz LTVCGMJTOGCTSV-SFHVURJKSA-N 1 3 344.503 2.784 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000570805050 319515086 /nfs/dbraw/zinc/51/50/86/319515086.db2.gz JWRZJPPHUHIGNH-UHFFFAOYSA-N 1 3 332.492 2.535 20 0 EFADHO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000571213877 319552114 /nfs/dbraw/zinc/55/21/14/319552114.db2.gz POZRAWGGOHUAKV-QFBILLFUSA-N 1 3 344.503 2.535 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000571908735 319618767 /nfs/dbraw/zinc/61/87/67/319618767.db2.gz AHYJMXDWHRKJLM-HXUWFJFHSA-N 1 3 342.483 2.895 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000572463938 319671656 /nfs/dbraw/zinc/67/16/56/319671656.db2.gz BVVCYWSJOKSYQL-KRWDZBQOSA-N 1 3 348.491 2.657 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CNCc2ccccc21 ZINC000573114725 319735637 /nfs/dbraw/zinc/73/56/37/319735637.db2.gz MWJZHROJRYIMMH-IBGZPJMESA-N 1 3 329.488 2.646 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000573425919 319764522 /nfs/dbraw/zinc/76/45/22/319764522.db2.gz NEUDVTVMTZDBOE-UHFFFAOYSA-N 1 3 341.499 2.806 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000573902330 319809725 /nfs/dbraw/zinc/80/97/25/319809725.db2.gz AOBGABLQIYLBFG-UXHICEINSA-N 1 3 340.471 2.591 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000574069894 319827123 /nfs/dbraw/zinc/82/71/23/319827123.db2.gz APGOPJVLFCJHGW-RDJZCZTQSA-N 1 3 346.471 2.571 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)cc1 ZINC000574345748 319854334 /nfs/dbraw/zinc/85/43/34/319854334.db2.gz VODGOHXABOWATN-IBGZPJMESA-N 1 3 331.504 2.980 20 0 EFADHO COc1cc(C[NH2+]CCCCN2CCN(C)CC2)cc2ccccc21 ZINC000575828751 319957157 /nfs/dbraw/zinc/95/71/57/319957157.db2.gz FQXPIPUNDLPVEE-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO Cc1noc(C)c1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000576506711 320021942 /nfs/dbraw/zinc/02/19/42/320021942.db2.gz BBWOABVJJNMUOH-HKUYNNGSSA-N 1 3 327.428 2.679 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000576634149 320034098 /nfs/dbraw/zinc/03/40/98/320034098.db2.gz SUZBXIPVOYHMGV-CVEARBPZSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000576634149 320034099 /nfs/dbraw/zinc/03/40/99/320034099.db2.gz SUZBXIPVOYHMGV-CVEARBPZSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000576709858 320041347 /nfs/dbraw/zinc/04/13/47/320041347.db2.gz YQYUMYDIRAJQAP-JTDSTZFVSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCCN(C)C)cc1Cl ZINC000576740961 320044242 /nfs/dbraw/zinc/04/42/42/320044242.db2.gz KFYDLQKWUIWQJD-AWEZNQCLSA-N 1 3 341.883 2.533 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576765221 320047119 /nfs/dbraw/zinc/04/71/19/320047119.db2.gz JARCYMRLGHUHBS-OAQYLSRUSA-N 1 3 345.531 2.946 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000576849457 320054437 /nfs/dbraw/zinc/05/44/37/320054437.db2.gz WHNMCPGSMYWWEA-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCN(C2CCC2)C1 ZINC000577077338 320075905 /nfs/dbraw/zinc/07/59/05/320075905.db2.gz ZKFVYXUEQKBMEC-QGZVFWFLSA-N 1 3 343.515 2.737 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@]3(C)CC=CCC3)CC2)CC1 ZINC000577123105 320079478 /nfs/dbraw/zinc/07/94/78/320079478.db2.gz CBIQZQLJTAVDJB-FQEVSTJZSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527668 320119908 /nfs/dbraw/zinc/11/99/08/320119908.db2.gz RSIRIRHOGHYZKV-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527668 320119910 /nfs/dbraw/zinc/11/99/10/320119910.db2.gz RSIRIRHOGHYZKV-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000577592919 320124871 /nfs/dbraw/zinc/12/48/71/320124871.db2.gz AZRKLSHGTYXGNG-OALUTQOASA-N 1 3 325.456 2.845 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577733837 320139164 /nfs/dbraw/zinc/13/91/64/320139164.db2.gz FSPNJCCLIOBEQJ-VQIMIIECSA-N 1 3 329.488 2.860 20 0 EFADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)CN1CCCC1 ZINC000578007352 320164091 /nfs/dbraw/zinc/16/40/91/320164091.db2.gz MONJSPPAWPKZNX-MRXNPFEDSA-N 1 3 340.895 2.791 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC[C@H](C)C1 ZINC000578035705 320167382 /nfs/dbraw/zinc/16/73/82/320167382.db2.gz XQFXPNFZEDPKNF-IRXDYDNUSA-N 1 3 331.504 2.641 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578122170 320175435 /nfs/dbraw/zinc/17/54/35/320175435.db2.gz YDEKZTVJFRDRBY-GJYPPUQNSA-N 1 3 344.503 2.652 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000578127443 320176273 /nfs/dbraw/zinc/17/62/73/320176273.db2.gz WAYNZSDKGQLWHR-IRXDYDNUSA-N 1 3 345.487 2.619 20 0 EFADHO CC[C@@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000578152533 320178957 /nfs/dbraw/zinc/17/89/57/320178957.db2.gz ZBYSJXVVMNXWPS-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc2c1CCNC2 ZINC000578423557 320204626 /nfs/dbraw/zinc/20/46/26/320204626.db2.gz HRYMEEVTDDAHAI-MRXNPFEDSA-N 1 3 330.476 2.670 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cccc2c1CCNC2 ZINC000578423557 320204629 /nfs/dbraw/zinc/20/46/29/320204629.db2.gz HRYMEEVTDDAHAI-MRXNPFEDSA-N 1 3 330.476 2.670 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000578500172 320211628 /nfs/dbraw/zinc/21/16/28/320211628.db2.gz OXXBZCNMSYOKDT-MOPGFXCFSA-N 1 3 334.504 2.897 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000181493162 323236118 /nfs/dbraw/zinc/23/61/18/323236118.db2.gz VBGHJJCXOHTRKU-RTBURBONSA-N 1 3 339.568 2.833 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000181705692 323245576 /nfs/dbraw/zinc/24/55/76/323245576.db2.gz RVUHLRATTZTQHD-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000181705655 323245616 /nfs/dbraw/zinc/24/56/16/323245616.db2.gz RVUHLRATTZTQHD-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C[C@@H]1OC ZINC000182091406 323263625 /nfs/dbraw/zinc/26/36/25/323263625.db2.gz JBONISZFDXLOGQ-SJORKVTESA-N 1 3 335.492 2.705 20 0 EFADHO C[C@@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000182695568 323296842 /nfs/dbraw/zinc/29/68/42/323296842.db2.gz ZFABEMGEXVODDJ-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183499046 323338561 /nfs/dbraw/zinc/33/85/61/323338561.db2.gz CTPKGUHNBTYBNY-KRWDZBQOSA-N 1 3 342.487 2.788 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000184696972 323372466 /nfs/dbraw/zinc/37/24/66/323372466.db2.gz QCQAMUJRSGMXPC-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO Cc1cc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000185691399 323395658 /nfs/dbraw/zinc/39/56/58/323395658.db2.gz TXADBSOAPFQPJY-GJZGRUSLSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000185691399 323395662 /nfs/dbraw/zinc/39/56/62/323395662.db2.gz TXADBSOAPFQPJY-GJZGRUSLSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)no1 ZINC000185691399 323395667 /nfs/dbraw/zinc/39/56/67/323395667.db2.gz TXADBSOAPFQPJY-GJZGRUSLSA-N 1 3 334.464 2.554 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000580187303 324116567 /nfs/dbraw/zinc/11/65/67/324116567.db2.gz NOOQEHLWVKDAFL-BRWVUGGUSA-N 1 3 343.515 2.921 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000580723880 324222395 /nfs/dbraw/zinc/22/23/95/324222395.db2.gz MZURZHOZHORESW-UHFFFAOYSA-N 1 3 331.504 2.643 20 0 EFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000581007344 324286011 /nfs/dbraw/zinc/28/60/11/324286011.db2.gz MMBXCXRCBYKCKO-QRTARXTBSA-N 1 3 342.405 2.996 20 0 EFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000581007344 324286016 /nfs/dbraw/zinc/28/60/16/324286016.db2.gz MMBXCXRCBYKCKO-QRTARXTBSA-N 1 3 342.405 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccnc3C)CC2)CC1 ZINC000581021301 324289608 /nfs/dbraw/zinc/28/96/08/324289608.db2.gz VNOGFHGQJCCZQA-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000581072234 324299150 /nfs/dbraw/zinc/29/91/50/324299150.db2.gz WJSGTAWERVJNAT-IRXDYDNUSA-N 1 3 331.504 2.573 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)CCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000581072230 324299184 /nfs/dbraw/zinc/29/91/84/324299184.db2.gz WJSGTAWERVJNAT-DLBZAZTESA-N 1 3 331.504 2.573 20 0 EFADHO CC1=CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000581118832 324308241 /nfs/dbraw/zinc/30/82/41/324308241.db2.gz MALPFNSCGXATCN-FQEVSTJZSA-N 1 3 341.499 2.972 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)CN1CCCCC1 ZINC000581305264 324348003 /nfs/dbraw/zinc/34/80/03/324348003.db2.gz AJOAZIJHBMGFGZ-RDJZCZTQSA-N 1 3 340.895 2.791 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000581364669 324360908 /nfs/dbraw/zinc/36/09/08/324360908.db2.gz BSPCCYRSELYDAB-OAHLLOKOSA-N 1 3 330.476 2.792 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000581476075 324386495 /nfs/dbraw/zinc/38/64/95/324386495.db2.gz HDXMAHSCDRGFAE-QUCCMNQESA-N 1 3 330.520 2.725 20 0 EFADHO Cc1c(Br)cccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000582677979 324648323 /nfs/dbraw/zinc/64/83/23/324648323.db2.gz ZBODMACMTASPHB-UXIGCNINSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1c[nH]c2ccccc21 ZINC000582819758 324675808 /nfs/dbraw/zinc/67/58/08/324675808.db2.gz RTFWUEQMWVADKF-MRXNPFEDSA-N 1 3 344.503 2.613 20 0 EFADHO N[C@@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000583311690 324784829 /nfs/dbraw/zinc/78/48/29/324784829.db2.gz FIABYHPGBCYBAY-AWEZNQCLSA-N 1 3 330.457 2.639 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)CCC2 ZINC000155655169 472589224 /nfs/dbraw/zinc/58/92/24/472589224.db2.gz YTCUTOSDXGUXNV-HUUCEWRRSA-N 1 3 336.549 2.699 20 0 EFADHO C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090178087 472607316 /nfs/dbraw/zinc/60/73/16/472607316.db2.gz COIWBEVLOPLZLZ-RDJZCZTQSA-N 1 3 347.503 2.677 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111439847 473212997 /nfs/dbraw/zinc/21/29/97/473212997.db2.gz FQHJRYAZHSOPQZ-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000124344268 473235390 /nfs/dbraw/zinc/23/53/90/473235390.db2.gz IHVFHPLMVZKEBY-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cc(NC(=O)C2CC[NH+](CCCN3CCCCC3)CC2)no1 ZINC000161674453 473252766 /nfs/dbraw/zinc/25/27/66/473252766.db2.gz ZFEOOHJBMUDPAY-UHFFFAOYSA-N 1 3 334.464 2.510 20 0 EFADHO C[N@H+](CCCNC(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000171038755 473259816 /nfs/dbraw/zinc/25/98/16/473259816.db2.gz VPQSOOUJHIMTPF-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCCNC(=O)N1CC[C@H](N2CCCC2)C1)C1CCCCC1 ZINC000171038755 473259821 /nfs/dbraw/zinc/25/98/21/473259821.db2.gz VPQSOOUJHIMTPF-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171039178 473260663 /nfs/dbraw/zinc/26/06/63/473260663.db2.gz ROAGJLMRPVCSHA-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171039178 473260668 /nfs/dbraw/zinc/26/06/68/473260668.db2.gz ROAGJLMRPVCSHA-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)[C@H](C)C1 ZINC000161772031 473261952 /nfs/dbraw/zinc/26/19/52/473261952.db2.gz MMMKNSFNVDBLSG-WOJBJXKFSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694056 468070237 /nfs/dbraw/zinc/07/02/37/468070237.db2.gz BSXJYEGHYBXOSK-MDZRGWNJSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694056 468070238 /nfs/dbraw/zinc/07/02/38/468070238.db2.gz BSXJYEGHYBXOSK-MDZRGWNJSA-N 1 3 339.487 2.874 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000184957644 473283699 /nfs/dbraw/zinc/28/36/99/473283699.db2.gz OZVRWTPIZGPKHW-GOSISDBHSA-N 1 3 329.488 2.526 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000184957644 473283707 /nfs/dbraw/zinc/28/37/07/473283707.db2.gz OZVRWTPIZGPKHW-GOSISDBHSA-N 1 3 329.488 2.526 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000171128820 473295717 /nfs/dbraw/zinc/29/57/17/473295717.db2.gz TVZRQMFQJPZDED-IBGZPJMESA-N 1 3 342.487 2.918 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000124997264 473338990 /nfs/dbraw/zinc/33/89/90/473338990.db2.gz AKSURMAJFFNEOC-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000162439189 473339470 /nfs/dbraw/zinc/33/94/70/473339470.db2.gz QVVAPXAUUNKGLH-OAHLLOKOSA-N 1 3 339.505 2.585 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000124997398 473339761 /nfs/dbraw/zinc/33/97/61/473339761.db2.gz YBHMIFSTSYGTRK-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000124997398 473339767 /nfs/dbraw/zinc/33/97/67/473339767.db2.gz YBHMIFSTSYGTRK-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243890 473340469 /nfs/dbraw/zinc/34/04/69/473340469.db2.gz XMPHKPYPRSYTOA-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000150738331 473344182 /nfs/dbraw/zinc/34/41/82/473344182.db2.gz VXEBJKFEQMEKHV-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO COCCN(C)c1ccc(CNCc2ccc(C[NH+](C)C)cc2)cn1 ZINC000190698724 473365820 /nfs/dbraw/zinc/36/58/20/473365820.db2.gz DCNUSMXBVADDES-UHFFFAOYSA-N 1 3 342.487 2.516 20 0 EFADHO CCN1CC[NH+]([C@@H]2CCN(c3ccnc4cc(F)ccc43)C2)CC1 ZINC000113247632 473372788 /nfs/dbraw/zinc/37/27/88/473372788.db2.gz PJOYOKHEDIHACG-MRXNPFEDSA-N 1 3 328.435 2.590 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)oc1C ZINC000162748608 473377720 /nfs/dbraw/zinc/37/77/20/473377720.db2.gz GJHAYYFXFACMTM-YZVOILCLSA-N 1 3 348.535 2.822 20 0 EFADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000185250000 473377789 /nfs/dbraw/zinc/37/77/89/473377789.db2.gz IZWYBSABCOKIEW-SJORKVTESA-N 1 3 335.492 2.704 20 0 EFADHO C[NH+](C)Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343252 473386189 /nfs/dbraw/zinc/38/61/89/473386189.db2.gz QYBBWDNSAYYWQQ-KRWDZBQOSA-N 1 3 333.476 2.847 20 0 EFADHO O=c1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c[nH]1 ZINC000631069969 479875531 /nfs/dbraw/zinc/87/55/31/479875531.db2.gz ZGXAHVGHBDYUMM-UHFFFAOYSA-N 1 3 327.428 2.552 20 0 EFADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CCN(C)CC1 ZINC000622003527 479878977 /nfs/dbraw/zinc/87/89/77/479878977.db2.gz AXLSGTGOCOUCSB-GHTZIAJQSA-N 1 3 342.531 2.530 20 0 EFADHO c1cn2c(n1)[C@H](NCCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000296858289 475508676 /nfs/dbraw/zinc/50/86/76/475508676.db2.gz NMNUWKDYEGGAFT-LJQANCHMSA-N 1 3 340.471 2.635 20 0 EFADHO c1cn2c(n1)[C@@H](NCCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000296858283 475509028 /nfs/dbraw/zinc/50/90/28/475509028.db2.gz NMNUWKDYEGGAFT-IBGZPJMESA-N 1 3 340.471 2.635 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000355413486 475917170 /nfs/dbraw/zinc/91/71/70/475917170.db2.gz MAPXKXINDSDUQK-YVWKXTFCSA-N 1 3 335.536 2.878 20 0 EFADHO CC(=O)N1CCC[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000355413486 475917178 /nfs/dbraw/zinc/91/71/78/475917178.db2.gz MAPXKXINDSDUQK-YVWKXTFCSA-N 1 3 335.536 2.878 20 0 EFADHO CSCC[C@@H](NC1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422799245 476780798 /nfs/dbraw/zinc/78/07/98/476780798.db2.gz VWGLUMBWZMKHJK-YMAMQOFZSA-N 1 3 333.505 2.631 20 0 EFADHO CC[NH+](CC)CCSCC(=O)Nc1ccc(CN(C)C)cc1F ZINC000413934902 476797977 /nfs/dbraw/zinc/79/79/77/476797977.db2.gz BQFBUQYKLLHZGC-UHFFFAOYSA-N 1 3 341.496 2.901 20 0 EFADHO c1ccc(NCCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422835218 476800576 /nfs/dbraw/zinc/80/05/76/476800576.db2.gz PBNQUSDLNLUOHK-XLIONFOSSA-N 1 3 338.455 2.729 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399371693 476882052 /nfs/dbraw/zinc/88/20/52/476882052.db2.gz KSMHCRVVGLDPLJ-AOIWGVFYSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424337494 477373988 /nfs/dbraw/zinc/37/39/88/477373988.db2.gz SBKLXRIBOTYANA-IAGOWNOFSA-N 1 3 335.467 2.812 20 0 EFADHO Cc1cc(NC(=O)[C@H](C[NH3+])C(C)C)ccc1OCCN1CCCC1 ZINC000433140172 477309120 /nfs/dbraw/zinc/30/91/20/477309120.db2.gz ZYSJPDJPBFJJJE-QGZVFWFLSA-N 1 3 333.476 2.639 20 0 EFADHO C[C@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425584 479897298 /nfs/dbraw/zinc/89/72/98/479897298.db2.gz PRHWOVZRFBBYHZ-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](CNC[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425584 479897304 /nfs/dbraw/zinc/89/73/04/479897304.db2.gz PRHWOVZRFBBYHZ-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](CNC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425584 479897307 /nfs/dbraw/zinc/89/73/07/479897307.db2.gz PRHWOVZRFBBYHZ-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN1CC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619897423 479912882 /nfs/dbraw/zinc/91/28/82/479912882.db2.gz KWMOVNAZTBNITN-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000053962962 472044913 /nfs/dbraw/zinc/04/49/13/472044913.db2.gz AMMPIFIIHCYVHR-UHFFFAOYSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000054760933 472112670 /nfs/dbraw/zinc/11/26/70/472112670.db2.gz PEHWIRLDAYEWLH-SFHVURJKSA-N 1 3 346.519 2.540 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000042341513 472131196 /nfs/dbraw/zinc/13/11/96/472131196.db2.gz HJPVXHCBLSYPOA-WFASDCNBSA-N 1 3 327.266 2.556 20 0 EFADHO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068202134 472149882 /nfs/dbraw/zinc/14/98/82/472149882.db2.gz VRQHYTCXKMFIIV-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000068202134 472149886 /nfs/dbraw/zinc/14/98/86/472149886.db2.gz VRQHYTCXKMFIIV-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538814 472153913 /nfs/dbraw/zinc/15/39/13/472153913.db2.gz AJWPMFSMZZXMLP-QGZVFWFLSA-N 1 3 332.492 2.944 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538814 472153918 /nfs/dbraw/zinc/15/39/18/472153918.db2.gz AJWPMFSMZZXMLP-QGZVFWFLSA-N 1 3 332.492 2.944 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)COCc1ccccc1F ZINC000075861259 472209534 /nfs/dbraw/zinc/20/95/34/472209534.db2.gz TWYJWPPXWYMGML-MSOLQXFVSA-N 1 3 338.467 2.509 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)COCc1ccccc1F ZINC000075861259 472209537 /nfs/dbraw/zinc/20/95/37/472209537.db2.gz TWYJWPPXWYMGML-MSOLQXFVSA-N 1 3 338.467 2.509 20 0 EFADHO C[C@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000085358948 472239074 /nfs/dbraw/zinc/23/90/74/472239074.db2.gz HZKSZMUZUXRTCG-HNNXBMFYSA-N 1 3 334.508 2.524 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C)CC(C)C ZINC000085389458 472242307 /nfs/dbraw/zinc/24/23/07/472242307.db2.gz CDOLGGUMCRXHEI-BZSNNMDCSA-N 1 3 340.556 2.725 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000076076246 472261717 /nfs/dbraw/zinc/26/17/17/472261717.db2.gz XFTLHIXNXAYDHX-HKUYNNGSSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@@H](C)C2)CC1 ZINC000076111020 472276119 /nfs/dbraw/zinc/27/61/19/472276119.db2.gz UPEVEQOTLLTGIS-ROUUACIJSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625594071 479981187 /nfs/dbraw/zinc/98/11/87/479981187.db2.gz OUUZIJHIWNAKIP-SLFFLAALSA-N 1 3 343.515 2.713 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625594071 479981191 /nfs/dbraw/zinc/98/11/91/479981191.db2.gz OUUZIJHIWNAKIP-SLFFLAALSA-N 1 3 343.515 2.713 20 0 EFADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000044531151 472315586 /nfs/dbraw/zinc/31/55/86/472315586.db2.gz PQBZAZRCKNTQKC-LLVKDONJSA-N 1 3 330.259 2.993 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523201 472332079 /nfs/dbraw/zinc/33/20/79/472332079.db2.gz IQZDZXADRVUIFO-LJQANCHMSA-N 1 3 334.504 2.707 20 0 EFADHO CN1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000056764415 472350192 /nfs/dbraw/zinc/35/01/92/472350192.db2.gz BSJKPDLXWDQIQA-UHFFFAOYSA-N 1 3 344.503 2.931 20 0 EFADHO CCN(CC)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000076573171 472370068 /nfs/dbraw/zinc/37/00/68/472370068.db2.gz IIQOMHBRXKFISD-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCN(CC)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000076573171 472370072 /nfs/dbraw/zinc/37/00/72/472370072.db2.gz IIQOMHBRXKFISD-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO O=C(NCCN1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057171936 472390883 /nfs/dbraw/zinc/39/08/83/472390883.db2.gz YXXJBRRBUDCYQT-UHFFFAOYSA-N 1 3 329.488 2.501 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2O1 ZINC000076763661 472399955 /nfs/dbraw/zinc/39/99/55/472399955.db2.gz WQMPYKHQGLHFFC-KRWDZBQOSA-N 1 3 344.499 2.991 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cnc2ccsc2c1 ZINC000128144132 472408777 /nfs/dbraw/zinc/40/87/77/472408777.db2.gz NKASEXYQRFCLJK-KBPBESRZSA-N 1 3 346.500 2.534 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116519512 472417487 /nfs/dbraw/zinc/41/74/87/472417487.db2.gz KHUSSPCRXVWTFQ-KRWDZBQOSA-N 1 3 346.519 2.853 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccncc3)CC2)cc1 ZINC000069748075 472420478 /nfs/dbraw/zinc/42/04/78/472420478.db2.gz DWMHILCNNGBCLJ-UHFFFAOYSA-N 1 3 338.499 2.769 20 0 EFADHO O=C(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2ccccc2C1 ZINC000089596787 472464397 /nfs/dbraw/zinc/46/43/97/472464397.db2.gz ROBMVFDDLDPFFN-RBUKOAKNSA-N 1 3 327.472 2.525 20 0 EFADHO O=C(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1Cc2ccccc2C1 ZINC000089596787 472464401 /nfs/dbraw/zinc/46/44/01/472464401.db2.gz ROBMVFDDLDPFFN-RBUKOAKNSA-N 1 3 327.472 2.525 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831619 472477791 /nfs/dbraw/zinc/47/77/91/472477791.db2.gz QIXPNYOUCPAOJA-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831619 472477796 /nfs/dbraw/zinc/47/77/96/472477796.db2.gz QIXPNYOUCPAOJA-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)c1 ZINC000154831619 472477805 /nfs/dbraw/zinc/47/78/05/472477805.db2.gz QIXPNYOUCPAOJA-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO Cc1ccc(C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)cc1 ZINC000128722084 472488509 /nfs/dbraw/zinc/48/85/09/472488509.db2.gz GELOJDLPTNCNJU-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097361370 472492288 /nfs/dbraw/zinc/49/22/88/472492288.db2.gz VLZONBWFQCMKEQ-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097361370 472492294 /nfs/dbraw/zinc/49/22/94/472492294.db2.gz VLZONBWFQCMKEQ-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO NC(=O)[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000057932878 472492837 /nfs/dbraw/zinc/49/28/37/472492837.db2.gz HGYRWDNZTCBURP-SFHVURJKSA-N 1 3 343.496 2.776 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1F ZINC000058182135 472514004 /nfs/dbraw/zinc/51/40/04/472514004.db2.gz NGNGQNJQRZFGII-HNNXBMFYSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1F ZINC000058182135 472514007 /nfs/dbraw/zinc/51/40/07/472514007.db2.gz NGNGQNJQRZFGII-HNNXBMFYSA-N 1 3 336.455 2.706 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119145932 472530983 /nfs/dbraw/zinc/53/09/83/472530983.db2.gz UJFDRAOTZZSEFD-HOTGVXAUSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119145932 472530988 /nfs/dbraw/zinc/53/09/88/472530988.db2.gz UJFDRAOTZZSEFD-HOTGVXAUSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCC1(C[NH+](C)C)CCCC1 ZINC000129477158 472546987 /nfs/dbraw/zinc/54/69/87/472546987.db2.gz HQFCPSLDGCDHQX-CYBMUJFWSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)c2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000101651895 472547570 /nfs/dbraw/zinc/54/75/70/472547570.db2.gz LSSKLXNKYHTZQM-UZLBHIALSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000102005706 472562079 /nfs/dbraw/zinc/56/20/79/472562079.db2.gz HNZDDSWPIVCYMS-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1cc(Cl)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119684506 472574738 /nfs/dbraw/zinc/57/47/38/472574738.db2.gz QAQUZJVQENVTLH-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000155599651 472577682 /nfs/dbraw/zinc/57/76/82/472577682.db2.gz BWYKQZUSINEPKP-MAUKXSAKSA-N 1 3 335.467 2.655 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]3C3CCC3)CC2)CC1 ZINC000102905275 472599273 /nfs/dbraw/zinc/59/92/73/472599273.db2.gz VOTCDKSGJHQNAK-IBGZPJMESA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000155704364 472600419 /nfs/dbraw/zinc/60/04/19/472600419.db2.gz VDIGGOOXKBXXCY-HZPDHXFCSA-N 1 3 336.499 2.568 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130367515 472601512 /nfs/dbraw/zinc/60/15/12/472601512.db2.gz TVCFNMFBXQCLSJ-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1C ZINC000071920124 472620724 /nfs/dbraw/zinc/62/07/24/472620724.db2.gz FHNHRMVOWYHPOY-QGZVFWFLSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1C ZINC000071920124 472620728 /nfs/dbraw/zinc/62/07/28/472620728.db2.gz FHNHRMVOWYHPOY-QGZVFWFLSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000130856607 472631569 /nfs/dbraw/zinc/63/15/69/472631569.db2.gz VJYRRMIKTWQGRD-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN2CCC[C@H](C)C2)c1 ZINC000130856607 472631572 /nfs/dbraw/zinc/63/15/72/472631572.db2.gz VJYRRMIKTWQGRD-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCN1C ZINC000156077576 472663136 /nfs/dbraw/zinc/66/31/36/472663136.db2.gz SJTSXWFQCGYNIZ-PMACEKPBSA-N 1 3 344.547 2.661 20 0 EFADHO COc1cccc2c1CC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937385 472666980 /nfs/dbraw/zinc/66/69/80/472666980.db2.gz FTGAZMFFMFEOCQ-SFHVURJKSA-N 1 3 341.455 2.808 20 0 EFADHO COC1CCN(Cc2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000078288254 472687832 /nfs/dbraw/zinc/68/78/32/472687832.db2.gz WEEVOQLESKSNEK-UHFFFAOYSA-N 1 3 332.488 2.908 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156330005 472692331 /nfs/dbraw/zinc/69/23/31/472692331.db2.gz URQNZMKBPFDUQZ-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156330005 472692335 /nfs/dbraw/zinc/69/23/35/472692335.db2.gz URQNZMKBPFDUQZ-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156330005 472692341 /nfs/dbraw/zinc/69/23/41/472692341.db2.gz URQNZMKBPFDUQZ-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156366448 472697262 /nfs/dbraw/zinc/69/72/62/472697262.db2.gz BWAUSFTYKQZSOV-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000120601129 472716670 /nfs/dbraw/zinc/71/66/70/472716670.db2.gz UQKPNYYECUAFLP-HOTGVXAUSA-N 1 3 342.487 2.884 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)cc1 ZINC000105093586 472721440 /nfs/dbraw/zinc/72/14/40/472721440.db2.gz RKRUDKGDAOPOGU-MRXNPFEDSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000078481756 472723046 /nfs/dbraw/zinc/72/30/46/472723046.db2.gz SLYYEYCTALQGCC-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C1CC1 ZINC000105118741 472723936 /nfs/dbraw/zinc/72/39/36/472723936.db2.gz OIFBOLGSRKWBNX-MRXNPFEDSA-N 1 3 344.503 2.564 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000120676868 472728697 /nfs/dbraw/zinc/72/86/97/472728697.db2.gz UMVSDPDYBGXQFK-MRXNPFEDSA-N 1 3 342.487 2.992 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000120717805 472735052 /nfs/dbraw/zinc/73/50/52/472735052.db2.gz FLPITJQKPUVQAY-OMNBBPDLSA-N 1 3 325.447 2.886 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000132770111 472754829 /nfs/dbraw/zinc/75/48/29/472754829.db2.gz HGJLYOHKYATPFS-AZUAARDMSA-N 1 3 332.488 2.548 20 0 EFADHO CC(C)[NH+](CCNC(=O)NCC(C)(C)N1CCCCC1)C(C)C ZINC000047683464 472756305 /nfs/dbraw/zinc/75/63/05/472756305.db2.gz UBSUMCWHLWBINO-UHFFFAOYSA-N 1 3 326.529 2.669 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C)C(C)C ZINC000047683628 472756648 /nfs/dbraw/zinc/75/66/48/472756648.db2.gz KNOZMNCLQLVDGK-IRXDYDNUSA-N 1 3 326.529 2.667 20 0 EFADHO COc1ccc([C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000091333547 472756689 /nfs/dbraw/zinc/75/66/89/472756689.db2.gz BOFPKARSDVTEJN-PKOBYXMFSA-N 1 3 347.503 2.569 20 0 EFADHO COc1ccc([C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000091333547 472756697 /nfs/dbraw/zinc/75/66/97/472756697.db2.gz BOFPKARSDVTEJN-PKOBYXMFSA-N 1 3 347.503 2.569 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000073024783 472760439 /nfs/dbraw/zinc/76/04/39/472760439.db2.gz QBKMSQQCQKZLNE-HXUWFJFHSA-N 1 3 343.515 2.918 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)[C@H](C)C1 ZINC000132980912 472766202 /nfs/dbraw/zinc/76/62/02/472766202.db2.gz YKDKADYTFABQMH-AQNXPRMDSA-N 1 3 339.568 2.833 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063407822 472774627 /nfs/dbraw/zinc/77/46/27/472774627.db2.gz HITXXWTZVMTCAN-UHFFFAOYSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803315 480009262 /nfs/dbraw/zinc/00/92/62/480009262.db2.gz NDLQHDYWJQKZIO-FXAWDEMLSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803315 480009268 /nfs/dbraw/zinc/00/92/68/480009268.db2.gz NDLQHDYWJQKZIO-FXAWDEMLSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000157091007 472785517 /nfs/dbraw/zinc/78/55/17/472785517.db2.gz INSIGOXNKRKUKJ-UHOSZYNNSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000157091007 472785522 /nfs/dbraw/zinc/78/55/22/472785522.db2.gz INSIGOXNKRKUKJ-UHOSZYNNSA-N 1 3 331.504 2.742 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2cccc(C)c2)CC1 ZINC000047978414 472791109 /nfs/dbraw/zinc/79/11/09/472791109.db2.gz PXTQOTQNROSKFY-IBGZPJMESA-N 1 3 334.504 2.789 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157234163 472798458 /nfs/dbraw/zinc/79/84/58/472798458.db2.gz HEBQUBOTIWKRQY-IBGZPJMESA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157234163 472798463 /nfs/dbraw/zinc/79/84/63/472798463.db2.gz HEBQUBOTIWKRQY-IBGZPJMESA-N 1 3 346.519 2.525 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000121175219 472811574 /nfs/dbraw/zinc/81/15/74/472811574.db2.gz VMHIHNGUVQGWQU-LSDHHAIUSA-N 1 3 325.447 2.889 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000157354866 472811780 /nfs/dbraw/zinc/81/17/80/472811780.db2.gz HAVHTPXRNXAZED-ZIAGYGMSSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000157354866 472811785 /nfs/dbraw/zinc/81/17/85/472811785.db2.gz HAVHTPXRNXAZED-ZIAGYGMSSA-N 1 3 343.313 2.888 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1C ZINC000073500182 472821411 /nfs/dbraw/zinc/82/14/11/472821411.db2.gz FYCIHHTWKWFAEZ-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccccc1C ZINC000073500182 472821414 /nfs/dbraw/zinc/82/14/14/472821414.db2.gz FYCIHHTWKWFAEZ-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000064237479 472837197 /nfs/dbraw/zinc/83/71/97/472837197.db2.gz IFZFYYFPMWHCFN-LJQANCHMSA-N 1 3 346.519 2.773 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000079269903 472841664 /nfs/dbraw/zinc/84/16/64/472841664.db2.gz QBYODXGSFDLDJW-GOSISDBHSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000079269910 472841757 /nfs/dbraw/zinc/84/17/57/472841757.db2.gz RWDSOQGTNJMUKG-ROUUACIJSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000079269910 472841759 /nfs/dbraw/zinc/84/17/59/472841759.db2.gz RWDSOQGTNJMUKG-ROUUACIJSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccsc1 ZINC000106431655 472850399 /nfs/dbraw/zinc/85/03/99/472850399.db2.gz BUJYXLDRAIWKRM-HOTGVXAUSA-N 1 3 325.522 2.833 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073677748 472851509 /nfs/dbraw/zinc/85/15/09/472851509.db2.gz MQTGAFHJPHLNHD-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073677748 472851516 /nfs/dbraw/zinc/85/15/16/472851516.db2.gz MQTGAFHJPHLNHD-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@H+](CC1CC1)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000157850433 472865259 /nfs/dbraw/zinc/86/52/59/472865259.db2.gz WIURYTLIOJVTCW-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000157850433 472865266 /nfs/dbraw/zinc/86/52/66/472865266.db2.gz WIURYTLIOJVTCW-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1OCC[C@@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000121534938 472868756 /nfs/dbraw/zinc/86/87/56/472868756.db2.gz PINJQVGPNBBOHW-PXNSSMCTSA-N 1 3 332.488 2.825 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000079569683 472887608 /nfs/dbraw/zinc/88/76/08/472887608.db2.gz QYCDXPJCYGHUJL-LJQANCHMSA-N 1 3 346.519 2.663 20 0 EFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158117174 472894762 /nfs/dbraw/zinc/89/47/62/472894762.db2.gz COXZJSYWKYKLLJ-HUUCEWRRSA-N 1 3 330.476 2.963 20 0 EFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158117174 472894766 /nfs/dbraw/zinc/89/47/66/472894766.db2.gz COXZJSYWKYKLLJ-HUUCEWRRSA-N 1 3 330.476 2.963 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000121807524 472919841 /nfs/dbraw/zinc/91/98/41/472919841.db2.gz PVHWGBUBMHHRGL-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000121807524 472919846 /nfs/dbraw/zinc/91/98/46/472919846.db2.gz PVHWGBUBMHHRGL-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCC[NH2+]1 ZINC000134582075 472933519 /nfs/dbraw/zinc/93/35/19/472933519.db2.gz SQRUDSBJMKQANM-GOSISDBHSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000092564980 472936767 /nfs/dbraw/zinc/93/67/67/472936767.db2.gz YDDKMYZXWBGTIA-IAGOWNOFSA-N 1 3 331.504 2.894 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]ccc2c1 ZINC000107583149 472965517 /nfs/dbraw/zinc/96/55/17/472965517.db2.gz XLLAGZYKCMOWGY-GOSISDBHSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]ccc2c1 ZINC000107583149 472965520 /nfs/dbraw/zinc/96/55/20/472965520.db2.gz XLLAGZYKCMOWGY-GOSISDBHSA-N 1 3 342.487 2.656 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CCN(C)CC3)cc2)C1 ZINC000074232967 472969261 /nfs/dbraw/zinc/96/92/61/472969261.db2.gz AVPNMEIUGNLVBI-MRXNPFEDSA-N 1 3 345.487 2.688 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CCN(C)CC3)cc2)C1 ZINC000074232967 472969269 /nfs/dbraw/zinc/96/92/69/472969269.db2.gz AVPNMEIUGNLVBI-MRXNPFEDSA-N 1 3 345.487 2.688 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000158835630 472971750 /nfs/dbraw/zinc/97/17/50/472971750.db2.gz VKDQBBUZKAULKH-CEXWTWQISA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000158835630 472971755 /nfs/dbraw/zinc/97/17/55/472971755.db2.gz VKDQBBUZKAULKH-CEXWTWQISA-N 1 3 329.488 2.528 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000092738765 472977976 /nfs/dbraw/zinc/97/79/76/472977976.db2.gz PUMSOVXXKJPNOG-MAUKXSAKSA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000092738765 472977981 /nfs/dbraw/zinc/97/79/81/472977981.db2.gz PUMSOVXXKJPNOG-MAUKXSAKSA-N 1 3 329.488 2.500 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158953940 472983104 /nfs/dbraw/zinc/98/31/04/472983104.db2.gz NUUAGWZUYRBVRG-AOIWGVFYSA-N 1 3 334.504 2.870 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000608475194 480022720 /nfs/dbraw/zinc/02/27/20/480022720.db2.gz OJXIVPBFMJECSP-HLNWXESRSA-N 1 3 343.515 2.981 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000608475194 480022725 /nfs/dbraw/zinc/02/27/25/480022725.db2.gz OJXIVPBFMJECSP-HLNWXESRSA-N 1 3 343.515 2.981 20 0 EFADHO CCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801931 473011312 /nfs/dbraw/zinc/01/13/12/473011312.db2.gz QHPPNQZOBLDKCD-UHFFFAOYSA-N 1 3 329.488 2.537 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H](C)C2)CC1 ZINC000051150307 473028247 /nfs/dbraw/zinc/02/82/47/473028247.db2.gz KMDJELGEVBPCFT-KRWDZBQOSA-N 1 3 343.515 2.808 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000108550889 473038703 /nfs/dbraw/zinc/03/87/03/473038703.db2.gz VYXGREOQJZDSDI-LJQANCHMSA-N 1 3 346.519 2.669 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)CC(C)C ZINC000066176893 473054029 /nfs/dbraw/zinc/05/40/29/473054029.db2.gz UUTFBOXLEIIBHT-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000066191732 473057290 /nfs/dbraw/zinc/05/72/90/473057290.db2.gz BJRHECUIOJPUNL-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000066191732 473057291 /nfs/dbraw/zinc/05/72/91/473057291.db2.gz BJRHECUIOJPUNL-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000122811754 473060426 /nfs/dbraw/zinc/06/04/26/473060426.db2.gz TUAOKIWMNVZBOP-ROUUACIJSA-N 1 3 343.515 2.877 20 0 EFADHO CC(C)CC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758374 473064512 /nfs/dbraw/zinc/06/45/12/473064512.db2.gz XMLIBOXIECFZAG-INIZCTEOSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080671126 473065662 /nfs/dbraw/zinc/06/56/62/473065662.db2.gz BXBXDUDKNATTCC-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122860537 473066225 /nfs/dbraw/zinc/06/62/25/473066225.db2.gz JDSNJQLCEVBOPY-FPCVCCKLSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122860537 473066231 /nfs/dbraw/zinc/06/62/31/473066231.db2.gz JDSNJQLCEVBOPY-FPCVCCKLSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NCCN1CCC(C)CC1)C(C)C ZINC000074851263 473078783 /nfs/dbraw/zinc/07/87/83/473078783.db2.gz FEXJSXDJBADLGC-UHFFFAOYSA-N 1 3 326.529 2.526 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2ccccc2C)CC1 ZINC000052211921 473095306 /nfs/dbraw/zinc/09/53/06/473095306.db2.gz FQSOSJZQKLMEBY-LJQANCHMSA-N 1 3 329.488 2.732 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000093405504 473103243 /nfs/dbraw/zinc/10/32/43/473103243.db2.gz SVWGNEVLQVFYDE-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000093405504 473103248 /nfs/dbraw/zinc/10/32/48/473103248.db2.gz SVWGNEVLQVFYDE-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@H](NCCCN1CCC[N@H+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405504 473103254 /nfs/dbraw/zinc/10/32/54/473103254.db2.gz SVWGNEVLQVFYDE-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@H](NCCCN1CCC[N@@H+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405504 473103260 /nfs/dbraw/zinc/10/32/60/473103260.db2.gz SVWGNEVLQVFYDE-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO COc1ccc2oc(C[NH2+]CCCCN3CCN(C)CC3)cc2c1 ZINC000123221391 473112989 /nfs/dbraw/zinc/11/29/89/473112989.db2.gz FDCYGXIIUZVYOR-UHFFFAOYSA-N 1 3 331.460 2.559 20 0 EFADHO Cc1cccc2nc(CN3CCC(CCC[NH+](C)C)CC3)cc(=O)n12 ZINC000123336736 473129481 /nfs/dbraw/zinc/12/94/81/473129481.db2.gz LPCVCYAKKOKHMC-UHFFFAOYSA-N 1 3 342.487 2.557 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000136236621 473145237 /nfs/dbraw/zinc/14/52/37/473145237.db2.gz YXZWCQWVHLWKPD-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCOC[C@@H]1CC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000093839231 473151328 /nfs/dbraw/zinc/15/13/28/473151328.db2.gz ZOKUGSSXSICBQF-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO CCOC[C@@H]1CC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000093839231 473151335 /nfs/dbraw/zinc/15/13/35/473151335.db2.gz ZOKUGSSXSICBQF-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000053064737 473180306 /nfs/dbraw/zinc/18/03/06/473180306.db2.gz HNVCRSXFTUBTSM-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000137220041 473199387 /nfs/dbraw/zinc/19/93/87/473199387.db2.gz SYOGDAQTOZEMEN-INIZCTEOSA-N 1 3 342.487 2.521 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCCCC2)[C@H](C)C1 ZINC000123971118 473201955 /nfs/dbraw/zinc/20/19/55/473201955.db2.gz YIEBOXXPSTUVMW-RTBURBONSA-N 1 3 325.541 2.589 20 0 EFADHO Cc1cccc(C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)c1 ZINC000150997316 473393704 /nfs/dbraw/zinc/39/37/04/473393704.db2.gz OOELSWMISRDCQA-NRFANRHFSA-N 1 3 329.532 2.932 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000125325671 473394403 /nfs/dbraw/zinc/39/44/03/473394403.db2.gz JEZSJUMQRUWPHM-VQTJNVASSA-N 1 3 345.531 2.912 20 0 EFADHO CN(CCCNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000185337888 473397541 /nfs/dbraw/zinc/39/75/41/473397541.db2.gz BFPJKVIPRZTOOM-UHFFFAOYSA-N 1 3 331.504 2.924 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cc2ccc(C)cc2)CC1 ZINC000113517832 473399985 /nfs/dbraw/zinc/39/99/85/473399985.db2.gz OOTYPJAECUIXAC-FQEVSTJZSA-N 1 3 343.515 2.602 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000185347573 473400650 /nfs/dbraw/zinc/40/06/50/473400650.db2.gz ULEBOZIDRLVTIR-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO CN(c1ccccc1CNCc1ccn(C)c1)C1CC[NH+](C)CC1 ZINC000151071653 473404818 /nfs/dbraw/zinc/40/48/18/473404818.db2.gz WKARJLPOWJPONC-UHFFFAOYSA-N 1 3 326.488 2.845 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185376389 473409838 /nfs/dbraw/zinc/40/98/38/473409838.db2.gz YTVRAIPYJHZMPD-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185376389 473409841 /nfs/dbraw/zinc/40/98/41/473409841.db2.gz YTVRAIPYJHZMPD-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000151118608 473411826 /nfs/dbraw/zinc/41/18/26/473411826.db2.gz JUOURKKGXOWPBW-CQSZACIVSA-N 1 3 330.476 2.828 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)CN1CCCCC1 ZINC000125606251 473432505 /nfs/dbraw/zinc/43/25/05/473432505.db2.gz ZFYXBQMCFYSTCH-KGLIPLIRSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@H](CN[C@@H](C)Cn1cc(Br)cn1)C[NH+]1CCCCC1 ZINC000125606251 473432516 /nfs/dbraw/zinc/43/25/16/473432516.db2.gz ZFYXBQMCFYSTCH-KGLIPLIRSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151415273 473453988 /nfs/dbraw/zinc/45/39/88/473453988.db2.gz HYYKJYGUFMXXKQ-GPMSIDNRSA-N 1 3 329.488 2.627 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1)C1CC1 ZINC000114399559 473460481 /nfs/dbraw/zinc/46/04/81/473460481.db2.gz GIQLGOKERNAGEA-KRWDZBQOSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000171899110 473477856 /nfs/dbraw/zinc/47/78/56/473477856.db2.gz CEAQESLSOFSSET-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000164568735 473492844 /nfs/dbraw/zinc/49/28/44/473492844.db2.gz IVCLBMLVIOMZIH-INIZCTEOSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH+](C)C ZINC000151906877 473505665 /nfs/dbraw/zinc/50/56/65/473505665.db2.gz SAGGNTWSPXBZHX-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000165347196 473510395 /nfs/dbraw/zinc/51/03/95/473510395.db2.gz KACJVINSZTXMFD-PXNSSMCTSA-N 1 3 343.515 2.793 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165725980 473515942 /nfs/dbraw/zinc/51/59/42/473515942.db2.gz PSUBIAHOBXGUIY-QYZOEREBSA-N 1 3 329.488 2.703 20 0 EFADHO CCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165947080 473519387 /nfs/dbraw/zinc/51/93/87/473519387.db2.gz AKOMSDWMKUYZER-WDSOQIARSA-N 1 3 329.488 2.813 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000166003091 473520658 /nfs/dbraw/zinc/52/06/58/473520658.db2.gz SKRQFHDEWWPQCP-APWZRJJASA-N 1 3 347.503 2.821 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613579257 480043963 /nfs/dbraw/zinc/04/39/63/480043963.db2.gz KBTOYLWMSVIDNE-WOJBJXKFSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000126508164 473522874 /nfs/dbraw/zinc/52/28/74/473522874.db2.gz FNHXELTWYWUVNQ-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000126508164 473522878 /nfs/dbraw/zinc/52/28/78/473522878.db2.gz FNHXELTWYWUVNQ-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN ZINC000166288890 473524024 /nfs/dbraw/zinc/52/40/24/473524024.db2.gz NDQJHBSEQRONPL-UHFFFAOYSA-N 1 3 332.275 2.623 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126712169 473538657 /nfs/dbraw/zinc/53/86/57/473538657.db2.gz ZCQAYVUJFCPKIF-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126712169 473538662 /nfs/dbraw/zinc/53/86/62/473538662.db2.gz ZCQAYVUJFCPKIF-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613579254 480045014 /nfs/dbraw/zinc/04/50/14/480045014.db2.gz KBTOYLWMSVIDNE-PMACEKPBSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000168508934 473542244 /nfs/dbraw/zinc/54/22/44/473542244.db2.gz GKXAUXPBZGJCFO-MJGOQNOKSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000168514595 473542564 /nfs/dbraw/zinc/54/25/64/473542564.db2.gz UNGKLGFLTWOWHA-NZSAHSFTSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168939247 473545902 /nfs/dbraw/zinc/54/59/02/473545902.db2.gz OZRHYVSMGHLSNR-RBUKOAKNSA-N 1 3 339.568 2.571 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365926 473552875 /nfs/dbraw/zinc/55/28/75/473552875.db2.gz NQFYIIBQQZLSAX-OLZOCXBDSA-N 1 3 336.867 2.526 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365926 473552878 /nfs/dbraw/zinc/55/28/78/473552878.db2.gz NQFYIIBQQZLSAX-OLZOCXBDSA-N 1 3 336.867 2.526 20 0 EFADHO C[NH+](C)CCOCCN[C@@H]1CCc2c1cccc2Br ZINC000170606794 473564155 /nfs/dbraw/zinc/56/41/55/473564155.db2.gz OLRXGOZJUQSIOM-OAHLLOKOSA-N 1 3 327.266 2.604 20 0 EFADHO CC(C)N(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000127131273 473580386 /nfs/dbraw/zinc/58/03/86/473580386.db2.gz QKWVHWUYIQTLID-UHFFFAOYSA-N 1 3 325.884 2.570 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000115552189 473581095 /nfs/dbraw/zinc/58/10/95/473581095.db2.gz BOIGCUNFOBWYLE-IEBWSBKVSA-N 1 3 343.515 2.853 20 0 EFADHO C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000127323551 473599312 /nfs/dbraw/zinc/59/93/12/473599312.db2.gz PEFFBRNTSILYAR-CMJOXMDJSA-N 1 3 340.533 2.825 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115798803 473604106 /nfs/dbraw/zinc/60/41/06/473604106.db2.gz IFMBJBVLBNYPAG-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115798803 473604112 /nfs/dbraw/zinc/60/41/12/473604112.db2.gz IFMBJBVLBNYPAG-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000127392437 473607823 /nfs/dbraw/zinc/60/78/23/473607823.db2.gz XRTIRLMSBOFBAV-FRQCXROJSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H](c1ccco1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127503887 473620627 /nfs/dbraw/zinc/62/06/27/473620627.db2.gz POOSODSLOGOTEB-HNNXBMFYSA-N 1 3 348.491 2.541 20 0 EFADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000116215509 473638321 /nfs/dbraw/zinc/63/83/21/473638321.db2.gz KVODHIKJIFOCAB-QFBILLFUSA-N 1 3 331.504 2.914 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172588172 473651202 /nfs/dbraw/zinc/65/12/02/473651202.db2.gz QWURSIFHOXZUTF-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172588172 473651207 /nfs/dbraw/zinc/65/12/07/473651207.db2.gz QWURSIFHOXZUTF-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000179246899 473661932 /nfs/dbraw/zinc/66/19/32/473661932.db2.gz FZFOIFJILHYJPW-UHFFFAOYSA-N 1 3 343.515 2.590 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000186444156 473675025 /nfs/dbraw/zinc/67/50/25/473675025.db2.gz QTIXRQYAZCVUJD-RDJZCZTQSA-N 1 3 349.475 2.508 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccc(F)c2)CC1 ZINC000172718054 473675205 /nfs/dbraw/zinc/67/52/05/473675205.db2.gz TUSUZNKOTFHCIQ-UHFFFAOYSA-N 1 3 349.494 2.836 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186456731 473676140 /nfs/dbraw/zinc/67/61/40/473676140.db2.gz AWZPGXRZIWIMIW-QGZVFWFLSA-N 1 3 337.467 2.882 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000186456750 473676471 /nfs/dbraw/zinc/67/64/71/473676471.db2.gz AWZPGXRZIWIMIW-KRWDZBQOSA-N 1 3 337.467 2.882 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCOC[C@H]3C)CC2)c1 ZINC000192462939 473682683 /nfs/dbraw/zinc/68/26/83/473682683.db2.gz MLHZYNZABLRTKF-CTNGQTDRSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H]1COCC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000192483405 473685042 /nfs/dbraw/zinc/68/50/42/473685042.db2.gz IAPCJPTXBOYGAD-TZIWHRDSSA-N 1 3 345.531 2.599 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCC[C@H]1C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000262592160 473699342 /nfs/dbraw/zinc/69/93/42/473699342.db2.gz RZCJCFFMYALVMB-UXPWSPDFSA-N 1 3 343.515 2.573 20 0 EFADHO [NH3+]C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000269120353 473699808 /nfs/dbraw/zinc/69/98/08/473699808.db2.gz ZUTVPJHIFLUMBG-UHFFFAOYSA-N 1 3 329.488 2.676 20 0 EFADHO C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H](N)c1ccccc1 ZINC000262674279 473709865 /nfs/dbraw/zinc/70/98/65/473709865.db2.gz QUOPJMUCEYKVSC-IPELMVKDSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000192724151 473711801 /nfs/dbraw/zinc/71/18/01/473711801.db2.gz MNQQTTJYSDHBDN-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000192724151 473711813 /nfs/dbraw/zinc/71/18/13/473711813.db2.gz MNQQTTJYSDHBDN-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO COc1ccc([C@@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000192728734 473714126 /nfs/dbraw/zinc/71/41/26/473714126.db2.gz IUBJPDJXUQKXRB-HXUWFJFHSA-N 1 3 345.531 2.901 20 0 EFADHO COc1ccc([C@@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000192728734 473714133 /nfs/dbraw/zinc/71/41/33/473714133.db2.gz IUBJPDJXUQKXRB-HXUWFJFHSA-N 1 3 345.531 2.901 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)N(CC)CC ZINC000274057052 473719869 /nfs/dbraw/zinc/71/98/69/473719869.db2.gz KFMDUUXOIQOMBP-KRWDZBQOSA-N 1 3 335.492 2.994 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192778424 473723345 /nfs/dbraw/zinc/72/33/45/473723345.db2.gz JSPWPRMTLPYQIP-INIZCTEOSA-N 1 3 342.487 2.992 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000192791691 473726083 /nfs/dbraw/zinc/72/60/83/473726083.db2.gz CNBWSXDXYQXHIN-UHFFFAOYSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000192791691 473726092 /nfs/dbraw/zinc/72/60/92/473726092.db2.gz CNBWSXDXYQXHIN-UHFFFAOYSA-N 1 3 347.547 2.676 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269196352 473726955 /nfs/dbraw/zinc/72/69/55/473726955.db2.gz UVXYGKBHVJXXHK-VQIMIIECSA-N 1 3 329.488 2.627 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245662400 473733782 /nfs/dbraw/zinc/73/37/82/473733782.db2.gz DIVAURVDOYIQMU-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245662400 473733791 /nfs/dbraw/zinc/73/37/91/473733791.db2.gz DIVAURVDOYIQMU-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CCCN(C(=O)C1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000269237759 473744950 /nfs/dbraw/zinc/74/49/50/473744950.db2.gz LXMXTBFRELFWKT-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000269264437 473753805 /nfs/dbraw/zinc/75/38/05/473753805.db2.gz OJXPIGIRHNAIJN-PKOBYXMFSA-N 1 3 331.504 2.922 20 0 EFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000281538096 473757673 /nfs/dbraw/zinc/75/76/73/473757673.db2.gz ILNIYAJGWFXWIY-ZDUSSCGKSA-N 1 3 330.394 2.683 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000269277281 473759799 /nfs/dbraw/zinc/75/97/99/473759799.db2.gz YBKKFDHYBAYXOL-LULLPPNCSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246015922 473771523 /nfs/dbraw/zinc/77/15/23/473771523.db2.gz JAJIHAHPVSPPBX-XWTMOSNGSA-N 1 3 344.565 2.690 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000246048332 473775251 /nfs/dbraw/zinc/77/52/51/473775251.db2.gz XVUARONHZNIBSY-QZWWFDLISA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246048332 473775258 /nfs/dbraw/zinc/77/52/58/473775258.db2.gz XVUARONHZNIBSY-QZWWFDLISA-N 1 3 337.508 2.848 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287872452 473783483 /nfs/dbraw/zinc/78/34/83/473783483.db2.gz XZMJARWYPBAZAO-GOEBONIOSA-N 1 3 346.393 2.827 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000633943403 480065249 /nfs/dbraw/zinc/06/52/49/480065249.db2.gz LNPSGDJRMWLBDE-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO COc1c(Br)cccc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000187226538 473842002 /nfs/dbraw/zinc/84/20/02/473842002.db2.gz SLUNKUCZCBMZED-LBPRGKRZSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000173348871 473812418 /nfs/dbraw/zinc/81/24/18/473812418.db2.gz OYXKNSBHMBOYSP-HNNXBMFYSA-N 1 3 347.478 2.604 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N2CCc3ccccc32)CC1 ZINC000263704828 473812822 /nfs/dbraw/zinc/81/28/22/473812822.db2.gz OHZZZTKNIUUISX-UHFFFAOYSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287968725 473813231 /nfs/dbraw/zinc/81/32/31/473813231.db2.gz JHBSFISVRBPMPT-LNLFQRSKSA-N 1 3 346.519 2.661 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287968725 473813236 /nfs/dbraw/zinc/81/32/36/473813236.db2.gz JHBSFISVRBPMPT-LNLFQRSKSA-N 1 3 346.519 2.661 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193979552 473823553 /nfs/dbraw/zinc/82/35/53/473823553.db2.gz VQDIDEWEQKXNMI-GUDVDZBRSA-N 1 3 330.472 2.674 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCSCC1 ZINC000187148280 473826022 /nfs/dbraw/zinc/82/60/22/473826022.db2.gz SQKMTICHGPJWQA-OAHLLOKOSA-N 1 3 349.544 2.599 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342539 473834941 /nfs/dbraw/zinc/83/49/41/473834941.db2.gz GZNJVJKRCJKPCV-RYQLBKOJSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342539 473834944 /nfs/dbraw/zinc/83/49/44/473834944.db2.gz GZNJVJKRCJKPCV-RYQLBKOJSA-N 1 3 349.519 2.626 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342539 473834947 /nfs/dbraw/zinc/83/49/47/473834947.db2.gz GZNJVJKRCJKPCV-RYQLBKOJSA-N 1 3 349.519 2.626 20 0 EFADHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000173518156 473864491 /nfs/dbraw/zinc/86/44/91/473864491.db2.gz LDJLZHWKBMDOIT-RBUKOAKNSA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000173518156 473864496 /nfs/dbraw/zinc/86/44/96/473864496.db2.gz LDJLZHWKBMDOIT-RBUKOAKNSA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000246436068 473864813 /nfs/dbraw/zinc/86/48/13/473864813.db2.gz TYWYMWKNMBGKGR-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000246436068 473864818 /nfs/dbraw/zinc/86/48/18/473864818.db2.gz TYWYMWKNMBGKGR-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288177103 473866359 /nfs/dbraw/zinc/86/63/59/473866359.db2.gz PLVPJMVPRYPDIA-QXAKKESOSA-N 1 3 346.519 2.804 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000180404650 473868961 /nfs/dbraw/zinc/86/89/61/473868961.db2.gz BNPGIWCOCZIMRJ-ZDUSSCGKSA-N 1 3 338.883 2.915 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000246459918 473871054 /nfs/dbraw/zinc/87/10/54/473871054.db2.gz VYBCUEABAJUBKH-LVCYWYKZSA-N 1 3 346.515 2.931 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccc1C ZINC000194374832 473888756 /nfs/dbraw/zinc/88/87/56/473888756.db2.gz GXRPFZZKUAVTOA-OALUTQOASA-N 1 3 332.488 2.861 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000173617072 473891650 /nfs/dbraw/zinc/89/16/50/473891650.db2.gz OEHVRCXRSAYJIX-SJORKVTESA-N 1 3 331.504 2.757 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000173618255 473893627 /nfs/dbraw/zinc/89/36/27/473893627.db2.gz JXOBBTAZTINGKB-HNNXBMFYSA-N 1 3 343.471 2.908 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000173618255 473893633 /nfs/dbraw/zinc/89/36/33/473893633.db2.gz JXOBBTAZTINGKB-HNNXBMFYSA-N 1 3 343.471 2.908 20 0 EFADHO C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000246552888 473899129 /nfs/dbraw/zinc/89/91/29/473899129.db2.gz YJGLPSGVDSLILA-ZACQAIPSSA-N 1 3 338.540 2.526 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000194448002 473899429 /nfs/dbraw/zinc/89/94/29/473899429.db2.gz GBMXTUDJIRZBLU-IBGZPJMESA-N 1 3 329.488 2.588 20 0 EFADHO CC(C)N1CCN(CCC[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000282036861 473926092 /nfs/dbraw/zinc/92/60/92/473926092.db2.gz LHNHQUWVSQUCCN-UHFFFAOYSA-N 1 3 347.547 2.988 20 0 EFADHO COCCC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000282077615 473938499 /nfs/dbraw/zinc/93/84/99/473938499.db2.gz XITYSBWHHKHLQH-LJQANCHMSA-N 1 3 338.467 2.730 20 0 EFADHO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274746798 473942376 /nfs/dbraw/zinc/94/23/76/473942376.db2.gz AYZQBLLLOSJMML-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000246733151 473945305 /nfs/dbraw/zinc/94/53/05/473945305.db2.gz UKWIITOXKIKNHI-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000246733151 473945312 /nfs/dbraw/zinc/94/53/12/473945312.db2.gz UKWIITOXKIKNHI-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246739230 473946677 /nfs/dbraw/zinc/94/66/77/473946677.db2.gz AWZLVVXQJFZOSW-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246739230 473946680 /nfs/dbraw/zinc/94/66/80/473946680.db2.gz AWZLVVXQJFZOSW-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO COC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000187948764 473947242 /nfs/dbraw/zinc/94/72/42/473947242.db2.gz YGIHQUVISPUNFV-PZJWPPBQSA-N 1 3 346.515 2.582 20 0 EFADHO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000288470620 473952204 /nfs/dbraw/zinc/95/22/04/473952204.db2.gz JDGLAGLLHYGSHO-FUHWJXTLSA-N 1 3 346.519 2.536 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282177322 473971057 /nfs/dbraw/zinc/97/10/57/473971057.db2.gz FLKXHLBVNDDOOP-GOSISDBHSA-N 1 3 331.504 2.824 20 0 EFADHO CC[N@@H+]1CC[C@H](NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000246817425 473972282 /nfs/dbraw/zinc/97/22/82/473972282.db2.gz BAAXUQUXWJXKON-WFXMLNOXSA-N 1 3 345.531 2.727 20 0 EFADHO CC[N@H+]1CC[C@H](NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000246817425 473972291 /nfs/dbraw/zinc/97/22/91/473972291.db2.gz BAAXUQUXWJXKON-WFXMLNOXSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000246817425 473972299 /nfs/dbraw/zinc/97/22/99/473972299.db2.gz BAAXUQUXWJXKON-WFXMLNOXSA-N 1 3 345.531 2.727 20 0 EFADHO COc1cccc(C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c1 ZINC000282217604 473985449 /nfs/dbraw/zinc/98/54/49/473985449.db2.gz HSMKCBXIEHKBNK-HXUWFJFHSA-N 1 3 345.531 2.632 20 0 EFADHO C[C@H](c1cc(F)ccc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936445 473989470 /nfs/dbraw/zinc/98/94/70/473989470.db2.gz IWLYMVXXFOYELV-CQSZACIVSA-N 1 3 325.447 2.984 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000246930616 474007533 /nfs/dbraw/zinc/00/75/33/474007533.db2.gz GMLSROFUODDABK-NARAOEGZSA-N 1 3 347.503 2.601 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000246930616 474007538 /nfs/dbraw/zinc/00/75/38/474007538.db2.gz GMLSROFUODDABK-NARAOEGZSA-N 1 3 347.503 2.601 20 0 EFADHO Cc1cc([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000282316027 474019963 /nfs/dbraw/zinc/01/99/63/474019963.db2.gz UCWCVSOCFFBDSP-INIZCTEOSA-N 1 3 330.476 2.562 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)c2)CCO1 ZINC000246981089 474025327 /nfs/dbraw/zinc/02/53/27/474025327.db2.gz JQYHUSKRVVVENN-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)c2)CCO1 ZINC000246981089 474025334 /nfs/dbraw/zinc/02/53/34/474025334.db2.gz JQYHUSKRVVVENN-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)CCO1 ZINC000246981089 474025339 /nfs/dbraw/zinc/02/53/39/474025339.db2.gz JQYHUSKRVVVENN-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246994752 474029803 /nfs/dbraw/zinc/02/98/03/474029803.db2.gz OOJPGLZCCFCSFZ-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246994752 474029809 /nfs/dbraw/zinc/02/98/09/474029809.db2.gz OOJPGLZCCFCSFZ-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000282342682 474030249 /nfs/dbraw/zinc/03/02/49/474030249.db2.gz OWQZTMBTTSMOEP-SFHVURJKSA-N 1 3 331.504 2.688 20 0 EFADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1(C)C ZINC000188246319 474031968 /nfs/dbraw/zinc/03/19/68/474031968.db2.gz GTWSSRCMRVBTHR-LPHOPBHVSA-N 1 3 333.476 2.528 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275040986 474051182 /nfs/dbraw/zinc/05/11/82/474051182.db2.gz YEUOOWQUIXMXHT-IAGOWNOFSA-N 1 3 326.843 2.947 20 0 EFADHO CC1CCN([C@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CC1 ZINC000264605123 474055405 /nfs/dbraw/zinc/05/54/05/474055405.db2.gz GBCQXPCLSWGZHP-IEXSPKMKSA-N 1 3 335.517 2.755 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000264608772 474057807 /nfs/dbraw/zinc/05/78/07/474057807.db2.gz GAAQKSJOUWFXMF-GOSISDBHSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(CN2CCCCC2)cc1 ZINC000264608772 474057814 /nfs/dbraw/zinc/05/78/14/474057814.db2.gz GAAQKSJOUWFXMF-GOSISDBHSA-N 1 3 341.499 2.887 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000247083514 474058977 /nfs/dbraw/zinc/05/89/77/474058977.db2.gz OYWWCPDUKKKABD-VHDGCEQUSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000247083514 474058985 /nfs/dbraw/zinc/05/89/85/474058985.db2.gz OYWWCPDUKKKABD-VHDGCEQUSA-N 1 3 346.393 2.517 20 0 EFADHO CCOC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000247097581 474063654 /nfs/dbraw/zinc/06/36/54/474063654.db2.gz UVMFLRZPJOURND-RTBURBONSA-N 1 3 326.525 2.874 20 0 EFADHO CCOC[C@@H]1CCCN(CCC[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000247097581 474063660 /nfs/dbraw/zinc/06/36/60/474063660.db2.gz UVMFLRZPJOURND-RTBURBONSA-N 1 3 326.525 2.874 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000174607400 474069134 /nfs/dbraw/zinc/06/91/34/474069134.db2.gz AMVQIXGOKAMIHA-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO COC(=O)C1CC[NH+](CCCNc2ccnc3ccccc32)CC1 ZINC000264643323 474071538 /nfs/dbraw/zinc/07/15/38/474071538.db2.gz NETPUGRWSMTNRP-UHFFFAOYSA-N 1 3 327.428 2.922 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000264680029 474085016 /nfs/dbraw/zinc/08/50/16/474085016.db2.gz CHSMXUXSXKBJCT-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000264680029 474085025 /nfs/dbraw/zinc/08/50/25/474085025.db2.gz CHSMXUXSXKBJCT-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000247222139 474093046 /nfs/dbraw/zinc/09/30/46/474093046.db2.gz XRTIRLMSBOFBAV-JTDSTZFVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000182087684 474097559 /nfs/dbraw/zinc/09/75/59/474097559.db2.gz LXMZGESLGXEGSO-DOTOQJQBSA-N 1 3 345.487 2.797 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525088 474098092 /nfs/dbraw/zinc/09/80/92/474098092.db2.gz UXZAXWQORZZIEM-AHCXZYCDSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525088 474098096 /nfs/dbraw/zinc/09/80/96/474098096.db2.gz UXZAXWQORZZIEM-AHCXZYCDSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637592 474103169 /nfs/dbraw/zinc/10/31/69/474103169.db2.gz CYDSHAMDBZSASE-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637592 474103173 /nfs/dbraw/zinc/10/31/73/474103173.db2.gz CYDSHAMDBZSASE-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000270416307 474110423 /nfs/dbraw/zinc/11/04/23/474110423.db2.gz DEUPBEKGPFMDKE-AQNXPRMDSA-N 1 3 344.499 2.717 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583654 474119431 /nfs/dbraw/zinc/11/94/31/474119431.db2.gz WFKGFXDAVWDPTJ-MJGOQNOKSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583654 474119436 /nfs/dbraw/zinc/11/94/36/474119436.db2.gz WFKGFXDAVWDPTJ-MJGOQNOKSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583654 474119440 /nfs/dbraw/zinc/11/94/40/474119440.db2.gz WFKGFXDAVWDPTJ-MJGOQNOKSA-N 1 3 329.488 2.565 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCC2 ZINC000182258633 474136493 /nfs/dbraw/zinc/13/64/93/474136493.db2.gz ZEYOKWJWESSHJF-UFYCRDLUSA-N 1 3 344.499 2.691 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000182266634 474137696 /nfs/dbraw/zinc/13/76/96/474137696.db2.gz WZWWRZFCLSNXQH-SLFFLAALSA-N 1 3 346.515 2.937 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644091 474139386 /nfs/dbraw/zinc/13/93/86/474139386.db2.gz BXDRAKRQCGEERC-DFQSSKMNSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644091 474139393 /nfs/dbraw/zinc/13/93/93/474139393.db2.gz BXDRAKRQCGEERC-DFQSSKMNSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644091 474139400 /nfs/dbraw/zinc/13/94/00/474139400.db2.gz BXDRAKRQCGEERC-DFQSSKMNSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644091 474139408 /nfs/dbraw/zinc/13/94/08/474139408.db2.gz BXDRAKRQCGEERC-DFQSSKMNSA-N 1 3 341.499 2.565 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289115732 474152981 /nfs/dbraw/zinc/15/29/81/474152981.db2.gz NFRHLLNPEIHGOO-ZWKOTPCHSA-N 1 3 344.455 2.529 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccs2)CC1 ZINC000289143749 474161921 /nfs/dbraw/zinc/16/19/21/474161921.db2.gz AMRFQCUZLUFBGY-UHFFFAOYSA-N 1 3 335.517 2.562 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537259 474162216 /nfs/dbraw/zinc/16/22/16/474162216.db2.gz WQODZWREBSSSHA-JTQLQIEISA-N 1 3 332.275 2.683 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000222903425 474175497 /nfs/dbraw/zinc/17/54/97/474175497.db2.gz YOTFCDDRNAHZBQ-HOTGVXAUSA-N 1 3 325.497 2.898 20 0 EFADHO CC(C)(CNC(=O)C1C[C@H](c2ccccc2)OC1=O)C[NH+]1CCCC1 ZINC000289245002 474195175 /nfs/dbraw/zinc/19/51/75/474195175.db2.gz AOUSRRLBBAJVAW-IAGOWNOFSA-N 1 3 344.455 2.529 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000289269251 474204078 /nfs/dbraw/zinc/20/40/78/474204078.db2.gz NIHZXBRPFPDEOL-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000289269251 474204083 /nfs/dbraw/zinc/20/40/83/474204083.db2.gz NIHZXBRPFPDEOL-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO Cc1ccc2[nH]c([C@H]3CCCN(C[C@@H](O)C[N@@H+](C)C4CC4)C3)nc2c1 ZINC000289285886 474209733 /nfs/dbraw/zinc/20/97/33/474209733.db2.gz AIYRDZHYTFJJGE-RDJZCZTQSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2[nH]c([C@H]3CCCN(C[C@@H](O)C[N@H+](C)C4CC4)C3)nc2c1 ZINC000289285886 474209740 /nfs/dbraw/zinc/20/97/40/474209740.db2.gz AIYRDZHYTFJJGE-RDJZCZTQSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@H]3CCCN(C[C@@H](O)C[N@@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289285886 474209743 /nfs/dbraw/zinc/20/97/43/474209743.db2.gz AIYRDZHYTFJJGE-RDJZCZTQSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@H]3CCCN(C[C@@H](O)C[N@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289285886 474209752 /nfs/dbraw/zinc/20/97/52/474209752.db2.gz AIYRDZHYTFJJGE-RDJZCZTQSA-N 1 3 342.487 2.506 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000282840077 474213734 /nfs/dbraw/zinc/21/37/34/474213734.db2.gz SRLRHNIRTGVMCD-PWIZWCRZSA-N 1 3 332.488 2.548 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC[C@H]2CCCN2C)cc1 ZINC000265486921 474232464 /nfs/dbraw/zinc/23/24/64/474232464.db2.gz UJISQSRBRAPOAO-QGZVFWFLSA-N 1 3 348.491 2.623 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000247982732 474239544 /nfs/dbraw/zinc/23/95/44/474239544.db2.gz NFWRMASNKMSZGM-VQIMIIECSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000247982732 474239549 /nfs/dbraw/zinc/23/95/49/474239549.db2.gz NFWRMASNKMSZGM-VQIMIIECSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000247982729 474240056 /nfs/dbraw/zinc/24/00/56/474240056.db2.gz NFWRMASNKMSZGM-APWZRJJASA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000247982729 474240059 /nfs/dbraw/zinc/24/00/59/474240059.db2.gz NFWRMASNKMSZGM-APWZRJJASA-N 1 3 331.504 2.875 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275592445 474245649 /nfs/dbraw/zinc/24/56/49/474245649.db2.gz FRZVJQAUFOKWAC-ROUUACIJSA-N 1 3 330.476 2.539 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000275592445 474245654 /nfs/dbraw/zinc/24/56/54/474245654.db2.gz FRZVJQAUFOKWAC-ROUUACIJSA-N 1 3 330.476 2.539 20 0 EFADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000289408117 474258316 /nfs/dbraw/zinc/25/83/16/474258316.db2.gz HLWFXYBAZNMADS-UHFFFAOYSA-N 1 3 334.460 2.784 20 0 EFADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000289408117 474258320 /nfs/dbraw/zinc/25/83/20/474258320.db2.gz HLWFXYBAZNMADS-UHFFFAOYSA-N 1 3 334.460 2.784 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175607939 474262182 /nfs/dbraw/zinc/26/21/82/474262182.db2.gz MMKNVTLJBMBHDR-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000248120091 474262456 /nfs/dbraw/zinc/26/24/56/474262456.db2.gz NFZUEBZPOVEHOE-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000248120091 474262462 /nfs/dbraw/zinc/26/24/62/474262462.db2.gz NFZUEBZPOVEHOE-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)CC1 ZINC000236636556 474276340 /nfs/dbraw/zinc/27/63/40/474276340.db2.gz XDHGOJGYVVGYFO-LJQANCHMSA-N 1 3 345.487 2.626 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)oc1C ZINC000248171158 474276717 /nfs/dbraw/zinc/27/67/17/474276717.db2.gz UVDMHVMIZRGHJW-KBXCAEBGSA-N 1 3 334.508 2.576 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236679073 474279185 /nfs/dbraw/zinc/27/91/85/474279185.db2.gz QCJQEBWPUBDQNT-HXUWFJFHSA-N 1 3 343.515 2.575 20 0 EFADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCCC1 ZINC000275696686 474285598 /nfs/dbraw/zinc/28/55/98/474285598.db2.gz JZSFJYQAGAPQJN-PMACEKPBSA-N 1 3 332.488 2.548 20 0 EFADHO C[N@H+](CCOc1cccc(CNCc2cc[nH]c2)c1)C1CCOCC1 ZINC000175706062 474287376 /nfs/dbraw/zinc/28/73/76/474287376.db2.gz BINKJVWYXDDOCM-UHFFFAOYSA-N 1 3 343.471 2.794 20 0 EFADHO C[N@@H+](CCOc1cccc(CNCc2cc[nH]c2)c1)C1CCOCC1 ZINC000175706062 474287383 /nfs/dbraw/zinc/28/73/83/474287383.db2.gz BINKJVWYXDDOCM-UHFFFAOYSA-N 1 3 343.471 2.794 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236894134 474296934 /nfs/dbraw/zinc/29/69/34/474296934.db2.gz DDWONJUIKMDIJW-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO OCCCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248394863 474305633 /nfs/dbraw/zinc/30/56/33/474305633.db2.gz FYFHRULVMZHNPO-SLFFLAALSA-N 1 3 348.556 2.992 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000248407282 474310096 /nfs/dbraw/zinc/31/00/96/474310096.db2.gz CUDSQEJIVOTKIE-GHRYLNIYSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248407282 474310102 /nfs/dbraw/zinc/31/01/02/474310102.db2.gz CUDSQEJIVOTKIE-GHRYLNIYSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248407282 474310110 /nfs/dbraw/zinc/31/01/10/474310110.db2.gz CUDSQEJIVOTKIE-GHRYLNIYSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000265733548 474313465 /nfs/dbraw/zinc/31/34/65/474313465.db2.gz RPOCUQAKVDSDIQ-HKSATOIVSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000265733548 474313472 /nfs/dbraw/zinc/31/34/72/474313472.db2.gz RPOCUQAKVDSDIQ-HKSATOIVSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000265733550 474313792 /nfs/dbraw/zinc/31/37/92/474313792.db2.gz RPOCUQAKVDSDIQ-NZVCTJPZSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000265733550 474313797 /nfs/dbraw/zinc/31/37/97/474313797.db2.gz RPOCUQAKVDSDIQ-NZVCTJPZSA-N 1 3 329.488 2.616 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCN(C)c3ccccc3)CC2)CC1 ZINC000270939190 474331229 /nfs/dbraw/zinc/33/12/29/474331229.db2.gz RFEWLSZYLSUDDK-UHFFFAOYSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125747 474333210 /nfs/dbraw/zinc/33/32/10/474333210.db2.gz ZMEQYRVXWDDRDC-SLFFLAALSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125747 474333215 /nfs/dbraw/zinc/33/32/15/474333215.db2.gz ZMEQYRVXWDDRDC-SLFFLAALSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125747 474333220 /nfs/dbraw/zinc/33/32/20/474333220.db2.gz ZMEQYRVXWDDRDC-SLFFLAALSA-N 1 3 343.515 2.649 20 0 EFADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133222 474334957 /nfs/dbraw/zinc/33/49/57/474334957.db2.gz WDOVPBFOUPCHCR-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000237094750 474337302 /nfs/dbraw/zinc/33/73/02/474337302.db2.gz IQBFKKUGBGLBIC-GOSISDBHSA-N 1 3 346.519 2.777 20 0 EFADHO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCN(C)C1 ZINC000275851583 474341200 /nfs/dbraw/zinc/34/12/00/474341200.db2.gz XJBZWVYXZBXFPT-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000289611558 474344935 /nfs/dbraw/zinc/34/49/35/474344935.db2.gz VSYBVCYPHIGOHT-OAHLLOKOSA-N 1 3 334.382 2.857 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237135978 474345212 /nfs/dbraw/zinc/34/52/12/474345212.db2.gz ITHPEOGSCLLFSD-WOJBJXKFSA-N 1 3 339.483 2.756 20 0 EFADHO CN1CCCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC000270979688 474351035 /nfs/dbraw/zinc/35/10/35/474351035.db2.gz LKKFIVJOVUWUDR-UHFFFAOYSA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237183137 474352605 /nfs/dbraw/zinc/35/26/05/474352605.db2.gz CYHVURYDIZXWRI-KRWDZBQOSA-N 1 3 341.455 2.964 20 0 EFADHO C[C@H]1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000248542767 474352634 /nfs/dbraw/zinc/35/26/34/474352634.db2.gz INXLXNVQQITEOT-FVQHAEBGSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000237194456 474355103 /nfs/dbraw/zinc/35/51/03/474355103.db2.gz QFXRRNNVFHRVPC-RBUKOAKNSA-N 1 3 347.503 2.541 20 0 EFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000237194033 474355547 /nfs/dbraw/zinc/35/55/47/474355547.db2.gz QFXRRNNVFHRVPC-MOPGFXCFSA-N 1 3 347.503 2.541 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000237191962 474355660 /nfs/dbraw/zinc/35/56/60/474355660.db2.gz ULDOVQHFJFSWLT-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000237191962 474355669 /nfs/dbraw/zinc/35/56/69/474355669.db2.gz ULDOVQHFJFSWLT-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237197030 474355695 /nfs/dbraw/zinc/35/56/95/474355695.db2.gz IDZHXEZTQHJAHH-GOSISDBHSA-N 1 3 327.428 2.656 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000237197910 474356022 /nfs/dbraw/zinc/35/60/22/474356022.db2.gz IMJNGALYCUKGCJ-OLZOCXBDSA-N 1 3 339.867 2.736 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1Cl ZINC000237196412 474356073 /nfs/dbraw/zinc/35/60/73/474356073.db2.gz GVYKZRYQTFMZHN-UHFFFAOYSA-N 1 3 339.867 2.738 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189319056 474358155 /nfs/dbraw/zinc/35/81/55/474358155.db2.gz RJFHYMXVZFYGMG-AWEZNQCLSA-N 1 3 327.875 2.842 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000265846572 474360800 /nfs/dbraw/zinc/36/08/00/474360800.db2.gz OYGMWGBBYCXXKX-YLJYHZDGSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000265846572 474360803 /nfs/dbraw/zinc/36/08/03/474360803.db2.gz OYGMWGBBYCXXKX-YLJYHZDGSA-N 1 3 326.488 2.948 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237246912 474365919 /nfs/dbraw/zinc/36/59/19/474365919.db2.gz DYRUQZQOJLLSMS-HXUWFJFHSA-N 1 3 344.503 2.536 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248589259 474368965 /nfs/dbraw/zinc/36/89/65/474368965.db2.gz QVMKVZKGEBVFLR-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248589259 474368972 /nfs/dbraw/zinc/36/89/72/474368972.db2.gz QVMKVZKGEBVFLR-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248589259 474368977 /nfs/dbraw/zinc/36/89/77/474368977.db2.gz QVMKVZKGEBVFLR-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000265880764 474371361 /nfs/dbraw/zinc/37/13/61/474371361.db2.gz OMKCAJXSADCDRP-UHFFFAOYSA-N 1 3 340.467 2.812 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289673426 474372601 /nfs/dbraw/zinc/37/26/01/474372601.db2.gz AKCFZCOUXNTSCC-RNQOJCNYSA-N 1 3 343.515 2.790 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000289673422 474372696 /nfs/dbraw/zinc/37/26/96/474372696.db2.gz AKCFZCOUXNTSCC-LMCOJAPRSA-N 1 3 343.515 2.790 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916326 474383688 /nfs/dbraw/zinc/38/36/88/474383688.db2.gz APVFDUMOPGONOE-PXNSSMCTSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916326 474383694 /nfs/dbraw/zinc/38/36/94/474383694.db2.gz APVFDUMOPGONOE-PXNSSMCTSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649326 474393194 /nfs/dbraw/zinc/39/31/94/474393194.db2.gz RKWDSQQBAUVHBR-FZKCQIBNSA-N 1 3 325.497 2.895 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649326 474393200 /nfs/dbraw/zinc/39/32/00/474393200.db2.gz RKWDSQQBAUVHBR-FZKCQIBNSA-N 1 3 325.497 2.895 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669322 474400988 /nfs/dbraw/zinc/40/09/88/474400988.db2.gz RLFAQUXCYBBELI-MAUKXSAKSA-N 1 3 325.497 2.565 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176197377 474405988 /nfs/dbraw/zinc/40/59/88/474405988.db2.gz GKHOTJCVOOTJSI-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCN(C)C)cc1 ZINC000176197377 474405996 /nfs/dbraw/zinc/40/59/96/474405996.db2.gz GKHOTJCVOOTJSI-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726806 474416836 /nfs/dbraw/zinc/41/68/36/474416836.db2.gz IJXUDEJUCKKBMY-HLNWXESRSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726806 474416842 /nfs/dbraw/zinc/41/68/42/474416842.db2.gz IJXUDEJUCKKBMY-HLNWXESRSA-N 1 3 343.515 2.886 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@H+](C)CCOC)c2ccccc21 ZINC000283494974 474417974 /nfs/dbraw/zinc/41/79/74/474417974.db2.gz YHYZUOKHWQQGAA-RTBURBONSA-N 1 3 348.487 2.726 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H](NCCC[N@@H+](C)CCOC)c2ccccc21 ZINC000283494974 474417983 /nfs/dbraw/zinc/41/79/83/474417983.db2.gz YHYZUOKHWQQGAA-RTBURBONSA-N 1 3 348.487 2.726 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237519991 474421502 /nfs/dbraw/zinc/42/15/02/474421502.db2.gz CSFNSBMCELVNRO-QFBILLFUSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000237536396 474424864 /nfs/dbraw/zinc/42/48/64/474424864.db2.gz DRVQIAVZBAOHLV-FXAWDEMLSA-N 1 3 343.515 2.966 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000248757417 474427987 /nfs/dbraw/zinc/42/79/87/474427987.db2.gz GGMZDDYAOUYYTE-YLJYHZDGSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000237586022 474435101 /nfs/dbraw/zinc/43/51/01/474435101.db2.gz NXPSJSZADCXFNK-OWYHZJEWSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCCCCC1 ZINC000276155802 474435219 /nfs/dbraw/zinc/43/52/19/474435219.db2.gz GWYMKBUKFFWMPB-KRWDZBQOSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237585005 474435457 /nfs/dbraw/zinc/43/54/57/474435457.db2.gz BKTVZZHIDARJQU-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000237592711 474436683 /nfs/dbraw/zinc/43/66/83/474436683.db2.gz UGRZLZSEILGQMM-INIZCTEOSA-N 1 3 347.503 2.900 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)s1 ZINC000289811257 474438418 /nfs/dbraw/zinc/43/84/18/474438418.db2.gz ONSYKQGCERUIMU-ZDUSSCGKSA-N 1 3 334.489 2.680 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000276175082 474440384 /nfs/dbraw/zinc/44/03/84/474440384.db2.gz WHGFUURTRRIDAY-GOSISDBHSA-N 1 3 334.508 2.663 20 0 EFADHO CCN1CCN(CCC[NH2+]CCCCCOc2ccccc2)CC1 ZINC000276193574 474448607 /nfs/dbraw/zinc/44/86/07/474448607.db2.gz JLENYWJHFVYVIH-UHFFFAOYSA-N 1 3 333.520 2.853 20 0 EFADHO Cc1nn(C)c2ncc(CNCCCC[N@H+]3CCC[C@H](C)C3)cc12 ZINC000237668892 474453722 /nfs/dbraw/zinc/45/37/22/474453722.db2.gz GHIMDKOEHGEPHA-HNNXBMFYSA-N 1 3 329.492 2.878 20 0 EFADHO Cc1nn(C)c2ncc(CNCCCC[N@@H+]3CCC[C@H](C)C3)cc12 ZINC000237668892 474453729 /nfs/dbraw/zinc/45/37/29/474453729.db2.gz GHIMDKOEHGEPHA-HNNXBMFYSA-N 1 3 329.492 2.878 20 0 EFADHO C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000276220250 474457344 /nfs/dbraw/zinc/45/73/44/474457344.db2.gz ITYUBTKFMPPION-IXDOHACOSA-N 1 3 331.504 2.668 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000176382470 474457492 /nfs/dbraw/zinc/45/74/92/474457492.db2.gz FOOWCOOPOPXYDI-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237728755 474466634 /nfs/dbraw/zinc/46/66/34/474466634.db2.gz DKAKSZRBCMYWMW-FUHWJXTLSA-N 1 3 329.488 2.593 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000237806228 474479905 /nfs/dbraw/zinc/47/99/05/474479905.db2.gz LFIPOOVPKCRECC-IRXDYDNUSA-N 1 3 343.496 2.571 20 0 EFADHO [NH3+]C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000237810840 474480225 /nfs/dbraw/zinc/48/02/25/474480225.db2.gz VSMVEWCNBUGHEP-FQEVSTJZSA-N 1 3 337.467 2.510 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000176488984 474487068 /nfs/dbraw/zinc/48/70/68/474487068.db2.gz MFXMWWKACIEKBP-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO Cn1nccc1CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276310081 474490349 /nfs/dbraw/zinc/49/03/49/474490349.db2.gz MBDKAXREBGZTTQ-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO Cn1nccc1CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000276310081 474490355 /nfs/dbraw/zinc/49/03/55/474490355.db2.gz MBDKAXREBGZTTQ-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000237870281 474490987 /nfs/dbraw/zinc/49/09/87/474490987.db2.gz UKKZBGNVLUDSAX-ARFHVFGLSA-N 1 3 335.517 2.594 20 0 EFADHO [NH3+][C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237872403 474491094 /nfs/dbraw/zinc/49/10/94/474491094.db2.gz ZTXFPNOGKWIKGV-VQTJNVASSA-N 1 3 337.467 2.857 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)Cc1ccccc1 ZINC000189851626 474492742 /nfs/dbraw/zinc/49/27/42/474492742.db2.gz KYTBYHWAIAPZHB-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283784835 474495250 /nfs/dbraw/zinc/49/52/50/474495250.db2.gz RXZZLPHQFIQJTE-BBRMVZONSA-N 1 3 340.899 2.582 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237897483 474496998 /nfs/dbraw/zinc/49/69/98/474496998.db2.gz XHNIWRZWIGWODE-UHFFFAOYSA-N 1 3 341.499 2.887 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000237898063 474497525 /nfs/dbraw/zinc/49/75/25/474497525.db2.gz UKKZBGNVLUDSAX-HRCADAONSA-N 1 3 335.517 2.594 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000248998340 474502564 /nfs/dbraw/zinc/50/25/64/474502564.db2.gz HBYXMIYTNFQIQR-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000248998337 474502892 /nfs/dbraw/zinc/50/28/92/474502892.db2.gz HBYXMIYTNFQIQR-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO COc1ccc2oc(CN(C)CCN(C)C3CC[NH+](C)CC3)cc2c1 ZINC000289968622 474507078 /nfs/dbraw/zinc/50/70/78/474507078.db2.gz YXUGYHXHVKGTMT-UHFFFAOYSA-N 1 3 345.487 2.899 20 0 EFADHO C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043061 474508878 /nfs/dbraw/zinc/50/88/78/474508878.db2.gz VGHCVIVYOYYXIV-UCHQMPSGSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043061 474508883 /nfs/dbraw/zinc/50/88/83/474508883.db2.gz VGHCVIVYOYYXIV-UCHQMPSGSA-N 1 3 337.508 2.989 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(OC)c1 ZINC000289976765 474510766 /nfs/dbraw/zinc/51/07/66/474510766.db2.gz QJOJOFONQMDLTL-ATZDWAIDSA-N 1 3 347.503 2.582 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237964537 474512590 /nfs/dbraw/zinc/51/25/90/474512590.db2.gz SZLLQLPNQLUYJB-LJQANCHMSA-N 1 3 329.488 2.547 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000237972449 474514431 /nfs/dbraw/zinc/51/44/31/474514431.db2.gz GSMQGZGOJVQQHF-MRXNPFEDSA-N 1 3 343.496 2.849 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000238028184 474523307 /nfs/dbraw/zinc/52/33/07/474523307.db2.gz IESOFDUKVGRQLE-UXHICEINSA-N 1 3 337.467 2.682 20 0 EFADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000184486041 474526871 /nfs/dbraw/zinc/52/68/71/474526871.db2.gz RWXMYRIZIILVKO-JXFKEZNVSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000184486041 474526879 /nfs/dbraw/zinc/52/68/79/474526879.db2.gz RWXMYRIZIILVKO-JXFKEZNVSA-N 1 3 325.456 2.807 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1 ZINC000189992374 474530439 /nfs/dbraw/zinc/53/04/39/474530439.db2.gz DIQMFAQHUGSZHI-GDBMZVCRSA-N 1 3 325.884 2.962 20 0 EFADHO C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271406888 474530897 /nfs/dbraw/zinc/53/08/97/474530897.db2.gz AAJXGCVNQBNKCH-IUODEOHRSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000290027132 474531990 /nfs/dbraw/zinc/53/19/90/474531990.db2.gz NCRIUIARMDXXKX-IEBWSBKVSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000290027132 474531991 /nfs/dbraw/zinc/53/19/91/474531991.db2.gz NCRIUIARMDXXKX-IEBWSBKVSA-N 1 3 326.488 2.948 20 0 EFADHO CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249142618 474537564 /nfs/dbraw/zinc/53/75/64/474537564.db2.gz ZPXUBLSXHXNYJX-ZHALLVOQSA-N 1 3 331.504 2.873 20 0 EFADHO CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249142616 474537709 /nfs/dbraw/zinc/53/77/09/474537709.db2.gz ZPXUBLSXHXNYJX-AOIWGVFYSA-N 1 3 331.504 2.873 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@H](c1ccccc1)N(C)C ZINC000623015066 480111029 /nfs/dbraw/zinc/11/10/29/480111029.db2.gz AMYHXUMSMPKCRK-QFBILLFUSA-N 1 3 333.520 2.503 20 0 EFADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](c1ccccc1)N(C)C ZINC000623015066 480111033 /nfs/dbraw/zinc/11/10/33/480111033.db2.gz AMYHXUMSMPKCRK-QFBILLFUSA-N 1 3 333.520 2.503 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000276453454 474548931 /nfs/dbraw/zinc/54/89/31/474548931.db2.gz UTDWNUTYUMMVPV-UYAOXDASSA-N 1 3 328.504 2.867 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000276453454 474548933 /nfs/dbraw/zinc/54/89/33/474548933.db2.gz UTDWNUTYUMMVPV-UYAOXDASSA-N 1 3 328.504 2.867 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000240897275 474551254 /nfs/dbraw/zinc/55/12/54/474551254.db2.gz IRSYYJLKFBSXPQ-DLBZAZTESA-N 1 3 325.566 2.668 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245397275 474578893 /nfs/dbraw/zinc/57/88/93/474578893.db2.gz OPQFNONHHQLRGS-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245397275 474578900 /nfs/dbraw/zinc/57/89/00/474578900.db2.gz OPQFNONHHQLRGS-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245398109 474579291 /nfs/dbraw/zinc/57/92/91/474579291.db2.gz ROAGJLMRPVCSHA-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245398109 474579294 /nfs/dbraw/zinc/57/92/94/474579294.db2.gz ROAGJLMRPVCSHA-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CSC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000249493594 474580928 /nfs/dbraw/zinc/58/09/28/474580928.db2.gz YZXKGXCERMFYPV-IPMKNSEASA-N 1 3 334.529 2.697 20 0 EFADHO CSC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000249493594 474580931 /nfs/dbraw/zinc/58/09/31/474580931.db2.gz YZXKGXCERMFYPV-IPMKNSEASA-N 1 3 334.529 2.697 20 0 EFADHO C[N@H+](CCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CCCCC1 ZINC000625941929 480113877 /nfs/dbraw/zinc/11/38/77/480113877.db2.gz QSHZERFNOASPCY-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO C[N@@H+](CCNC(=O)Nc1ccc2c(c1)OCCNC2)C1CCCCC1 ZINC000625941929 480113885 /nfs/dbraw/zinc/11/38/85/480113885.db2.gz QSHZERFNOASPCY-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N1CCCCC1 ZINC000184750472 474600180 /nfs/dbraw/zinc/60/01/80/474600180.db2.gz YEMOMDQBXSAMKW-QZTJIDSGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000267184893 474611373 /nfs/dbraw/zinc/61/13/73/474611373.db2.gz LCYGOAWZXDVBPE-IEBWSBKVSA-N 1 3 333.520 2.626 20 0 EFADHO C[C@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000249762292 474612704 /nfs/dbraw/zinc/61/27/04/474612704.db2.gz XLMWLPJTWHYGDE-IXDOHACOSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249770247 474614595 /nfs/dbraw/zinc/61/45/95/474614595.db2.gz KVTNKCQTECITFI-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249770247 474614599 /nfs/dbraw/zinc/61/45/99/474614599.db2.gz KVTNKCQTECITFI-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278362987 474622588 /nfs/dbraw/zinc/62/25/88/474622588.db2.gz BLAXACGRPDEWMW-HZPDHXFCSA-N 1 3 336.476 2.855 20 0 EFADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278362987 474622592 /nfs/dbraw/zinc/62/25/92/474622592.db2.gz BLAXACGRPDEWMW-HZPDHXFCSA-N 1 3 336.476 2.855 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000267223678 474623096 /nfs/dbraw/zinc/62/30/96/474623096.db2.gz JNPCSLUMJGFLPT-KZNAEPCWSA-N 1 3 347.503 2.883 20 0 EFADHO Cn1nccc1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000284347547 474624294 /nfs/dbraw/zinc/62/42/94/474624294.db2.gz JWONDCXCWBOBKT-FPOVZHCZSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1nccc1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000284347547 474624298 /nfs/dbraw/zinc/62/42/98/474624298.db2.gz JWONDCXCWBOBKT-FPOVZHCZSA-N 1 3 338.499 2.949 20 0 EFADHO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1=CCN(C)CC1)CC3 ZINC000272857332 474627104 /nfs/dbraw/zinc/62/71/04/474627104.db2.gz ILMGKKIHOGSGIJ-OAHLLOKOSA-N 1 3 325.456 2.885 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000250124781 474629737 /nfs/dbraw/zinc/62/97/37/474629737.db2.gz WBEIWJDSRBZLBM-DOTOQJQBSA-N 1 3 337.508 2.874 20 0 EFADHO CC[N@H+]1CC[C@@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000250124781 474629739 /nfs/dbraw/zinc/62/97/39/474629739.db2.gz WBEIWJDSRBZLBM-DOTOQJQBSA-N 1 3 337.508 2.874 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000272935618 474645334 /nfs/dbraw/zinc/64/53/34/474645334.db2.gz IZBJEIWFSAEKTC-POAQFYNOSA-N 1 3 329.488 2.688 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000251955428 474653359 /nfs/dbraw/zinc/65/33/59/474653359.db2.gz YVTMSXUAJQCQCL-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO Cc1ccccc1C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000284522902 474657092 /nfs/dbraw/zinc/65/70/92/474657092.db2.gz WTACWANPFNZJND-NRFANRHFSA-N 1 3 329.532 2.932 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278505084 474667486 /nfs/dbraw/zinc/66/74/86/474667486.db2.gz ASIDEMALWHEBKL-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO COCOc1ccc(OC)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278514826 474672898 /nfs/dbraw/zinc/67/28/98/474672898.db2.gz QLJCUSDBAMEYHC-UHFFFAOYSA-N 1 3 334.460 2.642 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CCC[C@@]1(C)CO)C1CCN(C)CC1 ZINC000305089106 474685921 /nfs/dbraw/zinc/68/59/21/474685921.db2.gz OXJOVUSMYRSXJZ-SFTDATJTSA-N 1 3 345.531 2.858 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1)C1CCN(C)CC1 ZINC000305097335 474690434 /nfs/dbraw/zinc/69/04/34/474690434.db2.gz VKIJVVMURKLHKG-XLIONFOSSA-N 1 3 345.531 2.858 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)N3CCCc4ccccc43)C2)C1 ZINC000292937243 474723474 /nfs/dbraw/zinc/72/34/74/474723474.db2.gz JNEPZOGLDIKBQH-OAQYLSRUSA-N 1 3 341.499 2.774 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)N3CCCc4ccccc43)C2)C1 ZINC000292937243 474723478 /nfs/dbraw/zinc/72/34/78/474723478.db2.gz JNEPZOGLDIKBQH-OAQYLSRUSA-N 1 3 341.499 2.774 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000623054471 480124093 /nfs/dbraw/zinc/12/40/93/480124093.db2.gz OHKBCPVQKMPQCF-GOSISDBHSA-N 1 3 330.476 2.744 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000273188018 474767565 /nfs/dbraw/zinc/76/75/65/474767565.db2.gz HQUANKDUVPQBHV-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000623060379 480125529 /nfs/dbraw/zinc/12/55/29/480125529.db2.gz KCKPQBGOOKCSQS-WMZOPIPTSA-N 1 3 330.476 2.744 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273216544 474781809 /nfs/dbraw/zinc/78/18/09/474781809.db2.gz USJOFUNGVCKVNI-GOSISDBHSA-N 1 3 333.520 2.990 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000338967667 474785185 /nfs/dbraw/zinc/78/51/85/474785185.db2.gz VTQXIAQYUUHXFE-PZJWPPBQSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000338967667 474785190 /nfs/dbraw/zinc/78/51/90/474785190.db2.gz VTQXIAQYUUHXFE-PZJWPPBQSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000338967665 474785675 /nfs/dbraw/zinc/78/56/75/474785675.db2.gz VTQXIAQYUUHXFE-CTNGQTDRSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000338967665 474785678 /nfs/dbraw/zinc/78/56/78/474785678.db2.gz VTQXIAQYUUHXFE-CTNGQTDRSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCC[C@H]1C ZINC000340931380 474789927 /nfs/dbraw/zinc/78/99/27/474789927.db2.gz BIOKZNVJEVOXPA-KURKYZTESA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCC[C@H]1C ZINC000340931380 474789932 /nfs/dbraw/zinc/78/99/32/474789932.db2.gz BIOKZNVJEVOXPA-KURKYZTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338980115 474799384 /nfs/dbraw/zinc/79/93/84/474799384.db2.gz FPUKNSJTNGFJKT-KRWDZBQOSA-N 1 3 348.535 2.927 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338980115 474799389 /nfs/dbraw/zinc/79/93/89/474799389.db2.gz FPUKNSJTNGFJKT-KRWDZBQOSA-N 1 3 348.535 2.927 20 0 EFADHO C[C@](O)(C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309857008 474819768 /nfs/dbraw/zinc/81/97/68/474819768.db2.gz LMOWDKAQMKQXCI-HOTGVXAUSA-N 1 3 330.394 2.802 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310584629 474829887 /nfs/dbraw/zinc/82/98/87/474829887.db2.gz UFTOHMAPTPMAHD-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000292067120 474830628 /nfs/dbraw/zinc/83/06/28/474830628.db2.gz KUFYSLUDMFNQTR-GOSISDBHSA-N 1 3 329.488 2.608 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000340969311 474832085 /nfs/dbraw/zinc/83/20/85/474832085.db2.gz ZYNLMDOOOHAKFG-VQIMIIECSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000340969311 474832089 /nfs/dbraw/zinc/83/20/89/474832089.db2.gz ZYNLMDOOOHAKFG-VQIMIIECSA-N 1 3 346.519 2.809 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000311211759 474836877 /nfs/dbraw/zinc/83/68/77/474836877.db2.gz PNJLIJNJEPCWGI-FQEVSTJZSA-N 1 3 343.515 2.795 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)Nc1cccc(CN(C)C)c1)CC[NH2+]CC2 ZINC000623072634 480128971 /nfs/dbraw/zinc/12/89/71/480128971.db2.gz KBGCUWLMBUGFNB-OAHLLOKOSA-N 1 3 330.476 2.744 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000340981416 474843206 /nfs/dbraw/zinc/84/32/06/474843206.db2.gz FCMWRMCBEKFKNN-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000340991596 474855936 /nfs/dbraw/zinc/85/59/36/474855936.db2.gz WNLHWZZZGPSFKC-APWZRJJASA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000340991806 474856464 /nfs/dbraw/zinc/85/64/64/474856464.db2.gz QGNHNHBESSXNNO-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000340991800 474856483 /nfs/dbraw/zinc/85/64/83/474856483.db2.gz QGNHNHBESSXNNO-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000340999429 474865899 /nfs/dbraw/zinc/86/58/99/474865899.db2.gz FOUSREHYYYYGJZ-GOSISDBHSA-N 1 3 327.472 2.639 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2CCO[C@H](C)C2)CC1)CC(C)C ZINC000337301585 474874897 /nfs/dbraw/zinc/87/48/97/474874897.db2.gz OMXXERKTVSSXPV-LJQANCHMSA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2CCO[C@H](C)C2)CC1)CC(C)C ZINC000337301585 474874902 /nfs/dbraw/zinc/87/49/02/474874902.db2.gz OMXXERKTVSSXPV-LJQANCHMSA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2CCO[C@H](C)C2)CC1)CC1CC1 ZINC000337306227 474879002 /nfs/dbraw/zinc/87/90/02/474879002.db2.gz UWIWKKDLWUAVFF-GOSISDBHSA-N 1 3 337.552 2.541 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2CCO[C@H](C)C2)CC1)CC1CC1 ZINC000337306227 474879010 /nfs/dbraw/zinc/87/90/10/474879010.db2.gz UWIWKKDLWUAVFF-GOSISDBHSA-N 1 3 337.552 2.541 20 0 EFADHO COc1ccc(C[NH+]2CCC(CNCc3ncc(C)n3C)CC2)cc1 ZINC000341015017 474881046 /nfs/dbraw/zinc/88/10/46/474881046.db2.gz NLNMNGCUPSDPNN-UHFFFAOYSA-N 1 3 342.487 2.739 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000317487223 474887416 /nfs/dbraw/zinc/88/74/16/474887416.db2.gz ZVPRHPDJTAXUMQ-FRRDWIJNSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000317487223 474887428 /nfs/dbraw/zinc/88/74/28/474887428.db2.gz ZVPRHPDJTAXUMQ-FRRDWIJNSA-N 1 3 347.286 2.805 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268256881 474889919 /nfs/dbraw/zinc/88/99/19/474889919.db2.gz ROFWUTIEARFKJP-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000292184214 474893761 /nfs/dbraw/zinc/89/37/61/474893761.db2.gz WYBMJRZWGNFARH-RBUKOAKNSA-N 1 3 329.488 2.642 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000292194591 474896453 /nfs/dbraw/zinc/89/64/53/474896453.db2.gz XVMJZBZDPJFJDR-RBUKOAKNSA-N 1 3 329.488 2.690 20 0 EFADHO COc1ccccc1N1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068879 474897128 /nfs/dbraw/zinc/89/71/28/474897128.db2.gz IIWFATBTIXHNDM-ZWKOTPCHSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068879 474897137 /nfs/dbraw/zinc/89/71/37/474897137.db2.gz IIWFATBTIXHNDM-ZWKOTPCHSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000339068879 474897146 /nfs/dbraw/zinc/89/71/46/474897146.db2.gz IIWFATBTIXHNDM-ZWKOTPCHSA-N 1 3 329.488 2.880 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000292194588 474897379 /nfs/dbraw/zinc/89/73/79/474897379.db2.gz XVMJZBZDPJFJDR-MOPGFXCFSA-N 1 3 329.488 2.690 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000339071057 474900973 /nfs/dbraw/zinc/90/09/73/474900973.db2.gz PTJVMRHWCRQCFH-LSDHHAIUSA-N 1 3 342.409 3.119 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000339071057 474900986 /nfs/dbraw/zinc/90/09/86/474900986.db2.gz PTJVMRHWCRQCFH-LSDHHAIUSA-N 1 3 342.409 3.119 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341042317 474907404 /nfs/dbraw/zinc/90/74/04/474907404.db2.gz BJZYYGJGARRXHE-BBWFWOEESA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341042317 474907413 /nfs/dbraw/zinc/90/74/13/474907413.db2.gz BJZYYGJGARRXHE-BBWFWOEESA-N 1 3 338.540 2.526 20 0 EFADHO CCN(CC)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292230812 474914275 /nfs/dbraw/zinc/91/42/75/474914275.db2.gz MXZIYXSTNQVNHC-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO CCN(CC)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292230812 474914290 /nfs/dbraw/zinc/91/42/90/474914290.db2.gz MXZIYXSTNQVNHC-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341049383 474914390 /nfs/dbraw/zinc/91/43/90/474914390.db2.gz HOUQUEWSCNHCDO-TWMKSMIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341049383 474914396 /nfs/dbraw/zinc/91/43/96/474914396.db2.gz HOUQUEWSCNHCDO-TWMKSMIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341049387 474914975 /nfs/dbraw/zinc/91/49/75/474914975.db2.gz HOUQUEWSCNHCDO-VVLHAWIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341049387 474914984 /nfs/dbraw/zinc/91/49/84/474914984.db2.gz HOUQUEWSCNHCDO-VVLHAWIVSA-N 1 3 338.540 2.525 20 0 EFADHO COCc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000339087918 474916509 /nfs/dbraw/zinc/91/65/09/474916509.db2.gz FTLLRVHOKSKEDP-UHFFFAOYSA-N 1 3 345.531 2.683 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000341053636 474919788 /nfs/dbraw/zinc/91/97/88/474919788.db2.gz JHYCFGCFXWLJBG-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000341053636 474919798 /nfs/dbraw/zinc/91/97/98/474919798.db2.gz JHYCFGCFXWLJBG-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[C@H](CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000321009778 474920405 /nfs/dbraw/zinc/92/04/05/474920405.db2.gz SEKOHCCOIUCZKF-GBESFXJTSA-N 1 3 325.541 2.634 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC000255953879 474921265 /nfs/dbraw/zinc/92/12/65/474921265.db2.gz WOWPCNOHGGYZIY-KCITZHQASA-N 1 3 331.504 2.820 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1cc(Br)ccc1F ZINC000623088614 480134953 /nfs/dbraw/zinc/13/49/53/480134953.db2.gz VSNNBPMAGBQIGP-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1cc(Br)ccc1F ZINC000623088614 480134960 /nfs/dbraw/zinc/13/49/60/480134960.db2.gz VSNNBPMAGBQIGP-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CC(C)[C@@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268362358 474941172 /nfs/dbraw/zinc/94/11/72/474941172.db2.gz QBECQAKGBXAHFC-LJQANCHMSA-N 1 3 333.520 2.714 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH+](C1CCC1)C1CCC1)c1ccccc1 ZINC000292288322 474942503 /nfs/dbraw/zinc/94/25/03/474942503.db2.gz CHBGIZQHJZMPNB-IBGZPJMESA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000293363458 474947290 /nfs/dbraw/zinc/94/72/90/474947290.db2.gz PXJZTLMJJHHBHW-OAHLLOKOSA-N 1 3 340.537 2.550 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000293363458 474947298 /nfs/dbraw/zinc/94/72/98/474947298.db2.gz PXJZTLMJJHHBHW-OAHLLOKOSA-N 1 3 340.537 2.550 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000337374843 474952384 /nfs/dbraw/zinc/95/23/84/474952384.db2.gz UNHMLJPJEVZCRW-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000337374843 474952393 /nfs/dbraw/zinc/95/23/93/474952393.db2.gz UNHMLJPJEVZCRW-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000278980731 474954402 /nfs/dbraw/zinc/95/44/02/474954402.db2.gz YNGOPFOAFHGTKE-PKOBYXMFSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000278980731 474954410 /nfs/dbraw/zinc/95/44/10/474954410.db2.gz YNGOPFOAFHGTKE-PKOBYXMFSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000278980731 474954413 /nfs/dbraw/zinc/95/44/13/474954413.db2.gz YNGOPFOAFHGTKE-PKOBYXMFSA-N 1 3 341.499 2.784 20 0 EFADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)cc1Cl ZINC000268402858 474961668 /nfs/dbraw/zinc/96/16/68/474961668.db2.gz DKOLETMVXSWMIG-UHFFFAOYSA-N 1 3 326.868 2.674 20 0 EFADHO CC[C@@H](C)C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341088527 474961773 /nfs/dbraw/zinc/96/17/73/474961773.db2.gz RCFUXJYNSSWOAE-HZPDHXFCSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OCC(F)F)cc2)CC1 ZINC000268412043 474964902 /nfs/dbraw/zinc/96/49/02/474964902.db2.gz IDWYURFPSPJVIA-UHFFFAOYSA-N 1 3 342.430 2.655 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000324342998 474966087 /nfs/dbraw/zinc/96/60/87/474966087.db2.gz ZDIWAUHSQCIEMC-UHFFFAOYSA-N 1 3 332.366 2.915 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000268418507 474968556 /nfs/dbraw/zinc/96/85/56/474968556.db2.gz KNDGUDJPGKTJPO-UHFFFAOYSA-N 1 3 332.488 2.725 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000324763387 474975836 /nfs/dbraw/zinc/97/58/36/474975836.db2.gz XBJYMLAAFFEERA-HKUYNNGSSA-N 1 3 331.504 2.966 20 0 EFADHO CCc1cc(OC)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000337399081 474976858 /nfs/dbraw/zinc/97/68/58/474976858.db2.gz QLZLLLIIYVKWKJ-DYESRHJHSA-N 1 3 345.531 2.715 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CC)C1 ZINC000341108809 474982264 /nfs/dbraw/zinc/98/22/64/474982264.db2.gz RVZHSKAAYZATMQ-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CC)C1 ZINC000341108809 474982271 /nfs/dbraw/zinc/98/22/71/474982271.db2.gz RVZHSKAAYZATMQ-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261563419 474982667 /nfs/dbraw/zinc/98/26/67/474982667.db2.gz XCBXGFLFIUDHME-SFHVURJKSA-N 1 3 329.488 2.642 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293450266 474985657 /nfs/dbraw/zinc/98/56/57/474985657.db2.gz PJNVCVORYRCIRJ-LPHOPBHVSA-N 1 3 338.467 2.851 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293450266 474985663 /nfs/dbraw/zinc/98/56/63/474985663.db2.gz PJNVCVORYRCIRJ-LPHOPBHVSA-N 1 3 338.467 2.851 20 0 EFADHO Cc1nn(-c2ccccc2)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268455508 474990277 /nfs/dbraw/zinc/99/02/77/474990277.db2.gz XORLQBLXVPYPBN-UHFFFAOYSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000261629482 475001156 /nfs/dbraw/zinc/00/11/56/475001156.db2.gz BRWMROMYCHFGRF-FUHWJXTLSA-N 1 3 345.487 2.926 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000261629390 475002284 /nfs/dbraw/zinc/00/22/84/475002284.db2.gz BQAMENCDHFBVNW-FUHWJXTLSA-N 1 3 347.528 2.734 20 0 EFADHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261641339 475006355 /nfs/dbraw/zinc/00/63/55/475006355.db2.gz GHSACUYEHDJZGH-MSOLQXFVSA-N 1 3 326.440 2.878 20 0 EFADHO COc1cccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000261648445 475011176 /nfs/dbraw/zinc/01/11/76/475011176.db2.gz AXISZWASFKPIPR-LMDPOFIKSA-N 1 3 332.488 2.800 20 0 EFADHO COc1cccc(C[N@H+](C[C@@H]2CCCNC2)C2CCC(O)CC2)c1 ZINC000261648445 475011181 /nfs/dbraw/zinc/01/11/81/475011181.db2.gz AXISZWASFKPIPR-LMDPOFIKSA-N 1 3 332.488 2.800 20 0 EFADHO COc1cccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCC(O)CC2)c1 ZINC000261648445 475011186 /nfs/dbraw/zinc/01/11/86/475011186.db2.gz AXISZWASFKPIPR-LMDPOFIKSA-N 1 3 332.488 2.800 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000268503649 475018180 /nfs/dbraw/zinc/01/81/80/475018180.db2.gz QPLONELVMYMGBU-LJQANCHMSA-N 1 3 331.504 2.601 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000341217385 475030666 /nfs/dbraw/zinc/03/06/66/475030666.db2.gz NKSDRWCJQUNCLV-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337450719 475031708 /nfs/dbraw/zinc/03/17/08/475031708.db2.gz KOEVESOPAAKVHN-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337450719 475031715 /nfs/dbraw/zinc/03/17/15/475031715.db2.gz KOEVESOPAAKVHN-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@H](c1ccccc1Cl)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261707393 475032651 /nfs/dbraw/zinc/03/26/51/475032651.db2.gz PGSCXHUWSQRXAZ-IIDMSEBBSA-N 1 3 349.906 2.981 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341243644 475036118 /nfs/dbraw/zinc/03/61/18/475036118.db2.gz REGYFECMXHLFHO-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(CC2CC[NH2+]CC2)C1 ZINC000261714500 475036300 /nfs/dbraw/zinc/03/63/00/475036300.db2.gz JCTOTSBHOGWRFU-XJKSGUPXSA-N 1 3 328.378 2.813 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(OCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000261725620 475040684 /nfs/dbraw/zinc/04/06/84/475040684.db2.gz RDTFRHXHTOMMHH-HOTGVXAUSA-N 1 3 333.476 2.591 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)C[C@@H]1CC=CCC1 ZINC000337467961 475045060 /nfs/dbraw/zinc/04/50/60/475045060.db2.gz NWHYEFVWNTVBFL-HXUWFJFHSA-N 1 3 337.552 2.707 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)C[C@@H]1CC=CCC1 ZINC000337467961 475045064 /nfs/dbraw/zinc/04/50/64/475045064.db2.gz NWHYEFVWNTVBFL-HXUWFJFHSA-N 1 3 337.552 2.707 20 0 EFADHO CCN(CC)CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000337470648 475046021 /nfs/dbraw/zinc/04/60/21/475046021.db2.gz QRXJRUXOADGFRT-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCN(CC)CC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000337470648 475046028 /nfs/dbraw/zinc/04/60/28/475046028.db2.gz QRXJRUXOADGFRT-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C[C@@H]1OC ZINC000337481239 475055465 /nfs/dbraw/zinc/05/54/65/475055465.db2.gz VVZDDEVOBKDYNP-MSOLQXFVSA-N 1 3 325.541 2.586 20 0 EFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261771106 475056698 /nfs/dbraw/zinc/05/66/98/475056698.db2.gz OSCFHUCXSHVJBR-APWZRJJASA-N 1 3 341.430 2.829 20 0 EFADHO COCCN(Cc1ccc(Br)s1)CC1CC[NH2+]CC1 ZINC000261768772 475057065 /nfs/dbraw/zinc/05/70/65/475057065.db2.gz MYFHZYXQHLRFMZ-UHFFFAOYSA-N 1 3 347.322 2.959 20 0 EFADHO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000261772542 475058293 /nfs/dbraw/zinc/05/82/93/475058293.db2.gz XCNUUHRFWICFJB-JMVFIXPQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261778922 475059223 /nfs/dbraw/zinc/05/92/23/475059223.db2.gz LAUTUBKTNICZLE-NZSAHSFTSA-N 1 3 329.488 2.627 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000337487145 475061007 /nfs/dbraw/zinc/06/10/07/475061007.db2.gz ZVSWRKPQGZGSBK-IBGZPJMESA-N 1 3 344.503 2.609 20 0 EFADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000261803685 475069401 /nfs/dbraw/zinc/06/94/01/475069401.db2.gz HEPCHRBPHOSEPD-CVEARBPZSA-N 1 3 348.466 2.659 20 0 EFADHO O=C(NC[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000261803693 475069574 /nfs/dbraw/zinc/06/95/74/475069574.db2.gz HEPCHRBPHOSEPD-JKSUJKDBSA-N 1 3 348.466 2.659 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](COC)Cc2ccccc2)[C@H](C)C1 ZINC000268918024 475070686 /nfs/dbraw/zinc/07/06/86/475070686.db2.gz OIHPUZKVUBGMQT-NRSPTQNISA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](COC)Cc2ccccc2)[C@H](C)C1 ZINC000268918024 475070693 /nfs/dbraw/zinc/07/06/93/475070693.db2.gz OIHPUZKVUBGMQT-NRSPTQNISA-N 1 3 348.531 2.971 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000261830730 475077947 /nfs/dbraw/zinc/07/79/47/475077947.db2.gz NCTWNZVVSFMXCR-QUCCMNQESA-N 1 3 343.515 2.966 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc(C3CCC3)cc2)CC1 ZINC000339248963 475081336 /nfs/dbraw/zinc/08/13/36/475081336.db2.gz VNWUSQCFLRHGHQ-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO N[C@@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000261853336 475087804 /nfs/dbraw/zinc/08/78/04/475087804.db2.gz RQZSUWHCDSIHAQ-LJQANCHMSA-N 1 3 345.487 2.755 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000345318861 475091016 /nfs/dbraw/zinc/09/10/16/475091016.db2.gz LRYMVVFWFMCQAJ-VQIMIIECSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268955276 475093681 /nfs/dbraw/zinc/09/36/81/475093681.db2.gz DEMOGGWCOPEIRT-CYBMUJFWSA-N 1 3 330.394 2.683 20 0 EFADHO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000281167082 475099557 /nfs/dbraw/zinc/09/95/57/475099557.db2.gz WCONHCUKHPOYIZ-IQMFZBJNSA-N 1 3 338.517 2.579 20 0 EFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261886702 475099752 /nfs/dbraw/zinc/09/97/52/475099752.db2.gz BBJQTJFJANVEAI-RBUKOAKNSA-N 1 3 341.499 2.547 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000261890487 475101933 /nfs/dbraw/zinc/10/19/33/475101933.db2.gz TVRPJWZAZZUJRC-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000268981745 475109595 /nfs/dbraw/zinc/10/95/95/475109595.db2.gz KTUATKXTFNHUFJ-LLVKDONJSA-N 1 3 345.256 2.696 20 0 EFADHO Cc1ccc([C@H](O)CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000268996028 475118303 /nfs/dbraw/zinc/11/83/03/475118303.db2.gz NPBDDHVWXVJZPH-CRAIPNDOSA-N 1 3 332.444 2.913 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000287383608 475121861 /nfs/dbraw/zinc/12/18/61/475121861.db2.gz BLRMFHLUQYGTOP-DFNIBXOVSA-N 1 3 344.503 2.515 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000287383608 475121869 /nfs/dbraw/zinc/12/18/69/475121869.db2.gz BLRMFHLUQYGTOP-DFNIBXOVSA-N 1 3 344.503 2.515 20 0 EFADHO O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000261954873 475126686 /nfs/dbraw/zinc/12/66/86/475126686.db2.gz OLHRFZIONJBUBE-JKSUJKDBSA-N 1 3 328.378 2.813 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000269039059 475140925 /nfs/dbraw/zinc/14/09/25/475140925.db2.gz GGDJIERSJRHYFL-QAPCUYQASA-N 1 3 338.492 2.849 20 0 EFADHO C[NH2+]CCC1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000262015009 475146087 /nfs/dbraw/zinc/14/60/87/475146087.db2.gz VPCNWRQNOVHKAM-UHFFFAOYSA-N 1 3 331.460 2.539 20 0 EFADHO Cn1cc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053872 475150862 /nfs/dbraw/zinc/15/08/62/475150862.db2.gz RQJCXXSXBYTMJX-LEWJYISDSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1cc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053872 475150869 /nfs/dbraw/zinc/15/08/69/475150869.db2.gz RQJCXXSXBYTMJX-LEWJYISDSA-N 1 3 338.499 2.949 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)c2ccccc12 ZINC000269071802 475159691 /nfs/dbraw/zinc/15/96/91/475159691.db2.gz XFMOOBQWRGMTQT-HNNXBMFYSA-N 1 3 328.456 2.956 20 0 EFADHO CN(CCCCO)Cc1cc(Cl)cc(C[N@H+](C)CCCCO)c1 ZINC000295999686 475160745 /nfs/dbraw/zinc/16/07/45/475160745.db2.gz MPCCOHBLYCEPBW-UHFFFAOYSA-N 1 3 342.911 2.749 20 0 EFADHO CN(CCCCO)Cc1cc(Cl)cc(C[N@@H+](C)CCCCO)c1 ZINC000295999686 475160753 /nfs/dbraw/zinc/16/07/53/475160753.db2.gz MPCCOHBLYCEPBW-UHFFFAOYSA-N 1 3 342.911 2.749 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269076011 475161614 /nfs/dbraw/zinc/16/16/14/475161614.db2.gz YLNDWLCSMYLFPY-DGDLXGGDSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269076011 475161619 /nfs/dbraw/zinc/16/16/19/475161619.db2.gz YLNDWLCSMYLFPY-DGDLXGGDSA-N 1 3 341.499 2.617 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000269078510 475163611 /nfs/dbraw/zinc/16/36/11/475163611.db2.gz YYYAQDWMNZSLIT-LBPRGKRZSA-N 1 3 332.366 2.693 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269076017 475163777 /nfs/dbraw/zinc/16/37/77/475163777.db2.gz YLNDWLCSMYLFPY-ZFYMRNONSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269076017 475163785 /nfs/dbraw/zinc/16/37/85/475163785.db2.gz YLNDWLCSMYLFPY-ZFYMRNONSA-N 1 3 341.499 2.617 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@H]12 ZINC000262198156 475197535 /nfs/dbraw/zinc/19/75/35/475197535.db2.gz ZUKGXFFBNNIKNA-WKPIXPDZSA-N 1 3 343.240 2.636 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341651371 475206588 /nfs/dbraw/zinc/20/65/88/475206588.db2.gz ZRWTXMNUKCOYAK-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341651371 475206592 /nfs/dbraw/zinc/20/65/92/475206592.db2.gz ZRWTXMNUKCOYAK-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341651364 475207080 /nfs/dbraw/zinc/20/70/80/475207080.db2.gz ZRWTXMNUKCOYAK-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341651364 475207085 /nfs/dbraw/zinc/20/70/85/475207085.db2.gz ZRWTXMNUKCOYAK-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000339433325 475213879 /nfs/dbraw/zinc/21/38/79/475213879.db2.gz ORUGKEAMEPZHRF-DLBZAZTESA-N 1 3 338.540 2.718 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@H]1C)[NH+]1CCCC1 ZINC000345486135 475216443 /nfs/dbraw/zinc/21/64/43/475216443.db2.gz WHYYTXHBXUEWLF-SZMVWBNQSA-N 1 3 338.540 2.669 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000262316042 475219537 /nfs/dbraw/zinc/21/95/37/475219537.db2.gz UKKZBGNVLUDSAX-OWCLPIDISA-N 1 3 335.517 2.594 20 0 EFADHO CC(C)(C)NC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000337671380 475224714 /nfs/dbraw/zinc/22/47/14/475224714.db2.gz XLOZCZRBBMKRBH-UHFFFAOYSA-N 1 3 331.504 2.588 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296215383 475226556 /nfs/dbraw/zinc/22/65/56/475226556.db2.gz BRSVCFUMBKAKHS-DLBZAZTESA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296215383 475226563 /nfs/dbraw/zinc/22/65/63/475226563.db2.gz BRSVCFUMBKAKHS-DLBZAZTESA-N 1 3 348.487 2.729 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357881616 475228455 /nfs/dbraw/zinc/22/84/55/475228455.db2.gz SAWKWGFVVVXYJH-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 ZINC000361183446 475251466 /nfs/dbraw/zinc/25/14/66/475251466.db2.gz VQKHVDNBJPLITM-GXTWGEPZSA-N 1 3 341.858 2.717 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000262554513 475257527 /nfs/dbraw/zinc/25/75/27/475257527.db2.gz VRYLCDAONCYMSH-AYOQOUSVSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000296305159 475262320 /nfs/dbraw/zinc/26/23/20/475262320.db2.gz GGVJVHNADPFZPB-HZPDHXFCSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000296305159 475262325 /nfs/dbraw/zinc/26/23/25/475262325.db2.gz GGVJVHNADPFZPB-HZPDHXFCSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H](C)O1 ZINC000296313772 475264796 /nfs/dbraw/zinc/26/47/96/475264796.db2.gz GRQNSABFDGVSRT-QWFCFKBJSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631566447 480157389 /nfs/dbraw/zinc/15/73/89/480157389.db2.gz OLDGWHDWLCRWHB-GOSISDBHSA-N 1 3 349.519 2.772 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354598902 475279701 /nfs/dbraw/zinc/27/97/01/475279701.db2.gz LCPAYPDJJXYKDX-CEXWTWQISA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354598902 475279708 /nfs/dbraw/zinc/27/97/08/475279708.db2.gz LCPAYPDJJXYKDX-CEXWTWQISA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361292382 475331873 /nfs/dbraw/zinc/33/18/73/475331873.db2.gz DECKULQWBYRCEZ-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(C)C(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361292382 475331876 /nfs/dbraw/zinc/33/18/76/475331876.db2.gz DECKULQWBYRCEZ-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000296409875 475303697 /nfs/dbraw/zinc/30/36/97/475303697.db2.gz LYGXSTLNYJRSIA-APWZRJJASA-N 1 3 333.545 2.665 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357976480 475305335 /nfs/dbraw/zinc/30/53/35/475305335.db2.gz QDWVPCNHLYMELT-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357976480 475305345 /nfs/dbraw/zinc/30/53/45/475305345.db2.gz QDWVPCNHLYMELT-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361275571 475319984 /nfs/dbraw/zinc/31/99/84/475319984.db2.gz XQGWSFONUKCJLV-NSHGMRRFSA-N 1 3 340.552 2.995 20 0 EFADHO CC[N@H+](CCN1CCCOCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361281919 475324448 /nfs/dbraw/zinc/32/44/48/475324448.db2.gz QPSNJWOMKUUTNT-PZJWPPBQSA-N 1 3 345.531 2.866 20 0 EFADHO CC[N@@H+](CCN1CCCOCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361281919 475324456 /nfs/dbraw/zinc/32/44/56/475324456.db2.gz QPSNJWOMKUUTNT-PZJWPPBQSA-N 1 3 345.531 2.866 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000354663197 475324958 /nfs/dbraw/zinc/32/49/58/475324958.db2.gz NUSFXNXQSZJECF-XUVXKRRUSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000358004999 475327179 /nfs/dbraw/zinc/32/71/79/475327179.db2.gz MGCXIAYLIJYBCX-PZJWPPBQSA-N 1 3 344.547 2.519 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000358022724 475342087 /nfs/dbraw/zinc/34/20/87/475342087.db2.gz XJXVAOYFTXSDHL-UHFFFAOYSA-N 1 3 330.520 2.899 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C[C@@H](C)O1 ZINC000358028452 475345555 /nfs/dbraw/zinc/34/55/55/475345555.db2.gz XPDPSSPPSHWHRF-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000358028452 475345563 /nfs/dbraw/zinc/34/55/63/475345563.db2.gz XPDPSSPPSHWHRF-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000358028452 475345569 /nfs/dbraw/zinc/34/55/69/475345569.db2.gz XPDPSSPPSHWHRF-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000347900496 475353520 /nfs/dbraw/zinc/35/35/20/475353520.db2.gz HSAJPYSGOFZPMN-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO NCCC[N@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC1CCCC1 ZINC000352504185 475359164 /nfs/dbraw/zinc/35/91/64/475359164.db2.gz OCARYQUDWNLMFZ-UHFFFAOYSA-N 1 3 347.459 2.585 20 0 EFADHO NCCC[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)CC1CCCC1 ZINC000352504185 475359172 /nfs/dbraw/zinc/35/91/72/475359172.db2.gz OCARYQUDWNLMFZ-UHFFFAOYSA-N 1 3 347.459 2.585 20 0 EFADHO [NH3+]CCCN(CCC(=O)Nc1ccc2c(c1)OCO2)CC1CCCC1 ZINC000352504185 475359179 /nfs/dbraw/zinc/35/91/79/475359179.db2.gz OCARYQUDWNLMFZ-UHFFFAOYSA-N 1 3 347.459 2.585 20 0 EFADHO Cn1ccnc1COc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352508328 475363401 /nfs/dbraw/zinc/36/34/01/475363401.db2.gz GIGOXRNVEQHHAE-QGZVFWFLSA-N 1 3 328.460 2.702 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000331649395 475364229 /nfs/dbraw/zinc/36/42/29/475364229.db2.gz WHOOOWKQWQGSSF-QAPCUYQASA-N 1 3 331.460 2.997 20 0 EFADHO NCCC[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC1CCCC1 ZINC000352510724 475365688 /nfs/dbraw/zinc/36/56/88/475365688.db2.gz PDYOOLNWAVPELQ-UHFFFAOYSA-N 1 3 343.471 2.514 20 0 EFADHO NCCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)CC1CCCC1 ZINC000352510724 475365694 /nfs/dbraw/zinc/36/56/94/475365694.db2.gz PDYOOLNWAVPELQ-UHFFFAOYSA-N 1 3 343.471 2.514 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000348064661 475372946 /nfs/dbraw/zinc/37/29/46/475372946.db2.gz PLIBBLMIPRQASF-TUVASFSCSA-N 1 3 338.414 2.575 20 0 EFADHO CSc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358065496 475372896 /nfs/dbraw/zinc/37/28/96/475372896.db2.gz RUZHFUFNPMRRSQ-AEFFLSMTSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358065496 475372906 /nfs/dbraw/zinc/37/29/06/475372906.db2.gz RUZHFUFNPMRRSQ-AEFFLSMTSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000358065496 475372916 /nfs/dbraw/zinc/37/29/16/475372916.db2.gz RUZHFUFNPMRRSQ-AEFFLSMTSA-N 1 3 333.545 2.866 20 0 EFADHO NCC[C@H]1CCCC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518408 475374940 /nfs/dbraw/zinc/37/49/40/475374940.db2.gz HVSQIHNNDJCPOQ-GOSISDBHSA-N 1 3 342.491 2.714 20 0 EFADHO NCC[C@H]1CCCC[N@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518408 475374945 /nfs/dbraw/zinc/37/49/45/475374945.db2.gz HVSQIHNNDJCPOQ-GOSISDBHSA-N 1 3 342.491 2.714 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518408 475374952 /nfs/dbraw/zinc/37/49/52/475374952.db2.gz HVSQIHNNDJCPOQ-GOSISDBHSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345696465 475375267 /nfs/dbraw/zinc/37/52/67/475375267.db2.gz QVCQMJUMRWCCCM-DOMZBBRYSA-N 1 3 325.403 2.840 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345696465 475375273 /nfs/dbraw/zinc/37/52/73/475375273.db2.gz QVCQMJUMRWCCCM-DOMZBBRYSA-N 1 3 325.403 2.840 20 0 EFADHO C[C@@H]1C[C@@H](NCCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000361352980 475379259 /nfs/dbraw/zinc/37/92/59/475379259.db2.gz GPPMLPIAKAIIMV-AEFFLSMTSA-N 1 3 331.504 2.934 20 0 EFADHO C[C@@H]1C[C@@H](NCCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000361352980 475379267 /nfs/dbraw/zinc/37/92/67/475379267.db2.gz GPPMLPIAKAIIMV-AEFFLSMTSA-N 1 3 331.504 2.934 20 0 EFADHO Cc1ccc(C)c([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361355178 475381999 /nfs/dbraw/zinc/38/19/99/475381999.db2.gz ZDFHVOKWTWKEPF-QGZVFWFLSA-N 1 3 331.504 2.897 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000361387599 475407403 /nfs/dbraw/zinc/40/74/03/475407403.db2.gz ZFFYSEJXYDVPSX-HKUYNNGSSA-N 1 3 347.503 2.742 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000361387599 475407409 /nfs/dbraw/zinc/40/74/09/475407409.db2.gz ZFFYSEJXYDVPSX-HKUYNNGSSA-N 1 3 347.503 2.742 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC[C@H]2CC)[C@H](C)C1 ZINC000361396066 475412790 /nfs/dbraw/zinc/41/27/90/475412790.db2.gz CZRRXEZJVQQIRD-AQNXPRMDSA-N 1 3 339.568 2.978 20 0 EFADHO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000354794507 475416176 /nfs/dbraw/zinc/41/61/76/475416176.db2.gz SDSCUKHMOJRBQC-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000354794507 475416184 /nfs/dbraw/zinc/41/61/84/475416184.db2.gz SDSCUKHMOJRBQC-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000296673144 475421917 /nfs/dbraw/zinc/42/19/17/475421917.db2.gz WIIAVGCDUMBGOX-IBGZPJMESA-N 1 3 330.476 2.698 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000296673144 475421921 /nfs/dbraw/zinc/42/19/21/475421921.db2.gz WIIAVGCDUMBGOX-IBGZPJMESA-N 1 3 330.476 2.698 20 0 EFADHO O=C(NCCN1CCCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352577980 475431182 /nfs/dbraw/zinc/43/11/82/475431182.db2.gz SZRUVTUQQJDCGK-HXUWFJFHSA-N 1 3 343.515 2.891 20 0 EFADHO O=C(NCCN1CCCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352577980 475431189 /nfs/dbraw/zinc/43/11/89/475431189.db2.gz SZRUVTUQQJDCGK-HXUWFJFHSA-N 1 3 343.515 2.891 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358153599 475443912 /nfs/dbraw/zinc/44/39/12/475443912.db2.gz DIXIWQJQDNIMHU-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358153599 475443918 /nfs/dbraw/zinc/44/39/18/475443918.db2.gz DIXIWQJQDNIMHU-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000352608295 475455564 /nfs/dbraw/zinc/45/55/64/475455564.db2.gz IMXYXTYOZSQEIC-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000352608295 475455570 /nfs/dbraw/zinc/45/55/70/475455570.db2.gz IMXYXTYOZSQEIC-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000339740749 475458950 /nfs/dbraw/zinc/45/89/50/475458950.db2.gz RZLXBEXKVXRYDK-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000361458095 475463272 /nfs/dbraw/zinc/46/32/72/475463272.db2.gz OTWLELKMJHOQJG-SJORKVTESA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000361458093 475464016 /nfs/dbraw/zinc/46/40/16/475464016.db2.gz OTWLELKMJHOQJG-IRXDYDNUSA-N 1 3 338.540 2.813 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468738 475472937 /nfs/dbraw/zinc/47/29/37/475472937.db2.gz JAZHPMPLTXAQRN-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468738 475472942 /nfs/dbraw/zinc/47/29/42/475472942.db2.gz JAZHPMPLTXAQRN-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000337988127 475486303 /nfs/dbraw/zinc/48/63/03/475486303.db2.gz MCBCDDJXFUDCGI-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000352643645 475486758 /nfs/dbraw/zinc/48/67/58/475486758.db2.gz BIACOLNQVNTKLK-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000352643645 475486763 /nfs/dbraw/zinc/48/67/63/475486763.db2.gz BIACOLNQVNTKLK-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO Cc1noc(CCC[N@@H+](C)CC2CCN(c3ccncc3)CC2)n1 ZINC000354883968 475489103 /nfs/dbraw/zinc/48/91/03/475489103.db2.gz RMKAUOXUUDBYEE-UHFFFAOYSA-N 1 3 329.448 2.554 20 0 EFADHO Cc1noc(CCC[N@H+](C)CC2CCN(c3ccncc3)CC2)n1 ZINC000354883968 475489110 /nfs/dbraw/zinc/48/91/10/475489110.db2.gz RMKAUOXUUDBYEE-UHFFFAOYSA-N 1 3 329.448 2.554 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@H+](CC)C(C)C ZINC000352649314 475490315 /nfs/dbraw/zinc/49/03/15/475490315.db2.gz ZFFXOZOKAOQJRW-UHFFFAOYSA-N 1 3 326.529 2.624 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000352649314 475490320 /nfs/dbraw/zinc/49/03/20/475490320.db2.gz ZFFXOZOKAOQJRW-UHFFFAOYSA-N 1 3 326.529 2.624 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352655120 475496514 /nfs/dbraw/zinc/49/65/14/475496514.db2.gz GGYFIHKBSJLIGI-DMUMMCEESA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352655120 475496525 /nfs/dbraw/zinc/49/65/25/475496525.db2.gz GGYFIHKBSJLIGI-DMUMMCEESA-N 1 3 343.515 2.886 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1)C1CC1 ZINC000338024222 475517614 /nfs/dbraw/zinc/51/76/14/475517614.db2.gz SHUIDLQQNWSNRE-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000352677640 475520307 /nfs/dbraw/zinc/52/03/07/475520307.db2.gz OIGPEUATYGGYRH-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000352677640 475520316 /nfs/dbraw/zinc/52/03/16/475520316.db2.gz OIGPEUATYGGYRH-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1C ZINC000345874317 475526660 /nfs/dbraw/zinc/52/66/60/475526660.db2.gz WRYYANMLCBQPKQ-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1C ZINC000345874317 475526667 /nfs/dbraw/zinc/52/66/67/475526667.db2.gz WRYYANMLCBQPKQ-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000348256771 475533353 /nfs/dbraw/zinc/53/33/53/475533353.db2.gz NMKMQHULFBRRLM-SJLPKXTDSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000348256771 475533357 /nfs/dbraw/zinc/53/33/57/475533357.db2.gz NMKMQHULFBRRLM-SJLPKXTDSA-N 1 3 329.488 2.770 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345891663 475539021 /nfs/dbraw/zinc/53/90/21/475539021.db2.gz SODSNZIUCBVLDR-IRXDYDNUSA-N 1 3 331.504 2.970 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338049593 475545011 /nfs/dbraw/zinc/54/50/11/475545011.db2.gz YVTRTLZKEJROAE-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338049593 475545017 /nfs/dbraw/zinc/54/50/17/475545017.db2.gz YVTRTLZKEJROAE-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO COC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCCCC1 ZINC000361557764 475546687 /nfs/dbraw/zinc/54/66/87/475546687.db2.gz SGXVXIVVNLHECJ-KDURUIRLSA-N 1 3 337.552 2.826 20 0 EFADHO COC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCCCC1 ZINC000361557764 475546697 /nfs/dbraw/zinc/54/66/97/475546697.db2.gz SGXVXIVVNLHECJ-KDURUIRLSA-N 1 3 337.552 2.826 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000358274601 475549319 /nfs/dbraw/zinc/54/93/19/475549319.db2.gz LXKONOOCXPUZCS-SFHVURJKSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCCN1C ZINC000361563234 475550433 /nfs/dbraw/zinc/55/04/33/475550433.db2.gz JTPGNMFKZAUDPL-IRXDYDNUSA-N 1 3 338.540 2.813 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]21 ZINC000342079102 475551102 /nfs/dbraw/zinc/55/11/02/475551102.db2.gz DPRYHAKXLQJGHR-YYQUZTFQSA-N 1 3 333.863 2.505 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000348276213 475551817 /nfs/dbraw/zinc/55/18/17/475551817.db2.gz DDKFCSBUBCXPQT-HNNXBMFYSA-N 1 3 349.441 2.784 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000348274652 475552170 /nfs/dbraw/zinc/55/21/70/475552170.db2.gz BLPGUKBZVAJUAB-SOUVJXGZSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000348274652 475552173 /nfs/dbraw/zinc/55/21/73/475552173.db2.gz BLPGUKBZVAJUAB-SOUVJXGZSA-N 1 3 347.425 2.536 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1)C1CC1 ZINC000338060195 475555755 /nfs/dbraw/zinc/55/57/55/475555755.db2.gz OCAKUOOFWSUORI-IBGZPJMESA-N 1 3 329.488 2.741 20 0 EFADHO COC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCCCC1 ZINC000361578226 475561940 /nfs/dbraw/zinc/56/19/40/475561940.db2.gz NWSMDPXSFXBPPT-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000346155370 475564753 /nfs/dbraw/zinc/56/47/53/475564753.db2.gz HAFHRPRWXKFSNA-ZHALLVOQSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000346155370 475564759 /nfs/dbraw/zinc/56/47/59/475564759.db2.gz HAFHRPRWXKFSNA-ZHALLVOQSA-N 1 3 329.488 2.640 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000354976088 475571478 /nfs/dbraw/zinc/57/14/78/475571478.db2.gz FGYLQESYOZURKU-JRSUCEMESA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000354976088 475571483 /nfs/dbraw/zinc/57/14/83/475571483.db2.gz FGYLQESYOZURKU-JRSUCEMESA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000354976088 475571488 /nfs/dbraw/zinc/57/14/88/475571488.db2.gz FGYLQESYOZURKU-JRSUCEMESA-N 1 3 344.499 2.681 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000358311983 475582161 /nfs/dbraw/zinc/58/21/61/475582161.db2.gz AYWYEIBUYHGLFJ-MORSLUCNSA-N 1 3 336.451 2.863 20 0 EFADHO Cc1cc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)sc1Br ZINC000352760564 475596573 /nfs/dbraw/zinc/59/65/73/475596573.db2.gz QKLCIMHEIIWZKO-LLVKDONJSA-N 1 3 347.322 2.926 20 0 EFADHO Cn1nnc2cc(C[N@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000348330508 475597061 /nfs/dbraw/zinc/59/70/61/475597061.db2.gz OAXIHVFCVHRFCE-KDURUIRLSA-N 1 3 347.466 2.532 20 0 EFADHO Cn1nnc2cc(C[N@@H+]3C[C@H]4CN(Cc5ccccc5)C[C@H]4C3)ccc21 ZINC000348330508 475597069 /nfs/dbraw/zinc/59/70/69/475597069.db2.gz OAXIHVFCVHRFCE-KDURUIRLSA-N 1 3 347.466 2.532 20 0 EFADHO CCc1ccc(C[NH2+]CCc2ccc(OCCN(C)C)cc2)cn1 ZINC000352764266 475600963 /nfs/dbraw/zinc/60/09/63/475600963.db2.gz CDTDWZRISJKYQJ-UHFFFAOYSA-N 1 3 327.472 2.917 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352767795 475602307 /nfs/dbraw/zinc/60/23/07/475602307.db2.gz GFOXKIYQPPFNRD-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352767795 475602315 /nfs/dbraw/zinc/60/23/15/475602315.db2.gz GFOXKIYQPPFNRD-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000355018983 475603345 /nfs/dbraw/zinc/60/33/45/475603345.db2.gz PSKLIQORJLEIRA-SFHVURJKSA-N 1 3 337.483 2.883 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCC[C@@H](C)C2)cc1 ZINC000338126604 475608055 /nfs/dbraw/zinc/60/80/55/475608055.db2.gz YGDKXTFZUOTDPD-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000346496958 475612391 /nfs/dbraw/zinc/61/23/91/475612391.db2.gz WQEXWHJLRGYEAO-TZIWHRDSSA-N 1 3 345.531 2.742 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000352777566 475613510 /nfs/dbraw/zinc/61/35/10/475613510.db2.gz HINMJZAXEOMWOE-LZLYRXPVSA-N 1 3 334.508 2.707 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000352777566 475613517 /nfs/dbraw/zinc/61/35/17/475613517.db2.gz HINMJZAXEOMWOE-LZLYRXPVSA-N 1 3 334.508 2.707 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N1CCc2ccccc2C1 ZINC000342698474 475627275 /nfs/dbraw/zinc/62/72/75/475627275.db2.gz UILVRPCFDIFUDC-AHRSYUTCSA-N 1 3 343.515 2.574 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+](CC)CC)N(C)C)cc1 ZINC000339948627 475633246 /nfs/dbraw/zinc/63/32/46/475633246.db2.gz ZNYBZFOXCHSEOH-APWZRJJASA-N 1 3 348.535 2.881 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000358380202 475634938 /nfs/dbraw/zinc/63/49/38/475634938.db2.gz MLGGFRRWTISAMC-NUJGCVRESA-N 1 3 331.504 2.790 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000346548328 475649108 /nfs/dbraw/zinc/64/91/08/475649108.db2.gz AUTGBKOMINWLFZ-AEFFLSMTSA-N 1 3 344.503 2.869 20 0 EFADHO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297293759 475694996 /nfs/dbraw/zinc/69/49/96/475694996.db2.gz ACNAHOPLMVXXGV-HXUWFJFHSA-N 1 3 325.456 2.990 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000343019218 475700486 /nfs/dbraw/zinc/70/04/86/475700486.db2.gz YVNXJFXAGOGVKS-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000343019218 475700496 /nfs/dbraw/zinc/70/04/96/475700496.db2.gz YVNXJFXAGOGVKS-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)c1ccccc1 ZINC000353130223 475704741 /nfs/dbraw/zinc/70/47/41/475704741.db2.gz OEOYRUVZKZNLRS-OTWHNJEPSA-N 1 3 331.504 2.820 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361756776 475724111 /nfs/dbraw/zinc/72/41/11/475724111.db2.gz WBDSQNKAAWBAPG-JKIFEVAISA-N 1 3 339.505 2.582 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361756776 475724118 /nfs/dbraw/zinc/72/41/18/475724118.db2.gz WBDSQNKAAWBAPG-JKIFEVAISA-N 1 3 339.505 2.582 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000338261448 475724223 /nfs/dbraw/zinc/72/42/23/475724223.db2.gz JYHFDQMCGGBQLI-QRVBRYPASA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000338261448 475724229 /nfs/dbraw/zinc/72/42/29/475724229.db2.gz JYHFDQMCGGBQLI-QRVBRYPASA-N 1 3 344.503 2.524 20 0 EFADHO c1ccc(-n2nc(CN3CCC4(C3)CC[NH2+]CC4)c3c2CCC3)cc1 ZINC000358504843 475733089 /nfs/dbraw/zinc/73/30/89/475733089.db2.gz IVGSCQARFIPIAO-UHFFFAOYSA-N 1 3 336.483 2.937 20 0 EFADHO CSc1cccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515697 475739597 /nfs/dbraw/zinc/73/95/97/475739597.db2.gz NGIADQGBNQXKMH-AWEZNQCLSA-N 1 3 333.501 2.811 20 0 EFADHO CC[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358519940 475742049 /nfs/dbraw/zinc/74/20/49/475742049.db2.gz UIWQQAMKMKPFRZ-KRWDZBQOSA-N 1 3 349.906 2.983 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358521077 475742526 /nfs/dbraw/zinc/74/25/26/475742526.db2.gz WVCKDCBCUPZUNM-GJZGRUSLSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358521074 475742840 /nfs/dbraw/zinc/74/28/40/475742840.db2.gz WVCKDCBCUPZUNM-CABCVRRESA-N 1 3 349.906 2.981 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000361778595 475744791 /nfs/dbraw/zinc/74/47/91/475744791.db2.gz HDJFIOQRINOHIV-RCCFBDPRSA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000361778595 475744803 /nfs/dbraw/zinc/74/48/03/475744803.db2.gz HDJFIOQRINOHIV-RCCFBDPRSA-N 1 3 338.540 2.765 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000348547902 475747163 /nfs/dbraw/zinc/74/71/63/475747163.db2.gz OHQGVAZYXZKJOK-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000353182691 475749657 /nfs/dbraw/zinc/74/96/57/475749657.db2.gz JYPUYCRAPIGMRO-QAPCUYQASA-N 1 3 333.476 2.863 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000353182691 475749663 /nfs/dbraw/zinc/74/96/63/475749663.db2.gz JYPUYCRAPIGMRO-QAPCUYQASA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000338288845 475751013 /nfs/dbraw/zinc/75/10/13/475751013.db2.gz IMQATZFFHAPAAB-KSZLIROESA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000338288845 475751019 /nfs/dbraw/zinc/75/10/19/475751019.db2.gz IMQATZFFHAPAAB-KSZLIROESA-N 1 3 338.540 2.669 20 0 EFADHO Cc1[nH]nc2ncc(C[NH2+]C[C@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000355217725 475752937 /nfs/dbraw/zinc/75/29/37/475752937.db2.gz KIAPVXRDAGPIKF-QGZVFWFLSA-N 1 3 335.455 2.878 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000338293169 475754560 /nfs/dbraw/zinc/75/45/60/475754560.db2.gz WXGISIFAQLKNOJ-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000338293169 475754566 /nfs/dbraw/zinc/75/45/66/475754566.db2.gz WXGISIFAQLKNOJ-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000338294014 475756157 /nfs/dbraw/zinc/75/61/57/475756157.db2.gz BLJIJZVQSUYHCQ-LJQANCHMSA-N 1 3 346.519 2.629 20 0 EFADHO CC[C@@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297437214 475757076 /nfs/dbraw/zinc/75/70/76/475757076.db2.gz NTTDEXLVZARSFZ-ZDUSSCGKSA-N 1 3 331.382 2.998 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000340117148 475770613 /nfs/dbraw/zinc/77/06/13/475770613.db2.gz IGWKLJCRXPXRFK-AEFFLSMTSA-N 1 3 344.503 2.593 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000353226966 475784268 /nfs/dbraw/zinc/78/42/68/475784268.db2.gz HPSUPLUIRAPMGT-UXHICEINSA-N 1 3 341.499 2.655 20 0 EFADHO CSC1(CNCc2cnn(-c3ccccc3)c2)CC[NH+](C)CC1 ZINC000353226600 475784500 /nfs/dbraw/zinc/78/45/00/475784500.db2.gz YXWIDDLPRLRYHQ-UHFFFAOYSA-N 1 3 330.501 2.789 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000348637192 475792351 /nfs/dbraw/zinc/79/23/51/475792351.db2.gz RUSSYMZGIPDXCF-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000348637192 475792356 /nfs/dbraw/zinc/79/23/56/475792356.db2.gz RUSSYMZGIPDXCF-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340179826 475830301 /nfs/dbraw/zinc/83/03/01/475830301.db2.gz FLXDKXFFFXMFTO-HBMCJLEFSA-N 1 3 345.531 2.768 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340179826 475830307 /nfs/dbraw/zinc/83/03/07/475830307.db2.gz FLXDKXFFFXMFTO-HBMCJLEFSA-N 1 3 345.531 2.768 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000353295810 475846762 /nfs/dbraw/zinc/84/67/62/475846762.db2.gz OIDFRITXKWBWEZ-SJORKVTESA-N 1 3 346.519 2.899 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346773773 475847167 /nfs/dbraw/zinc/84/71/67/475847167.db2.gz CROVZJJZRPRKMU-WDSOQIARSA-N 1 3 332.488 2.717 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2Cc3ccccc3O2)[C@@H](C)C1 ZINC000346773773 475847176 /nfs/dbraw/zinc/84/71/76/475847176.db2.gz CROVZJJZRPRKMU-WDSOQIARSA-N 1 3 332.488 2.717 20 0 EFADHO C[C@@H]1C[C@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]1 ZINC000358680814 475855160 /nfs/dbraw/zinc/85/51/60/475855160.db2.gz BYEXEVWHHIBWFC-IAGOWNOFSA-N 1 3 329.488 2.677 20 0 EFADHO COC(C)(C)[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000340207610 475858168 /nfs/dbraw/zinc/85/81/68/475858168.db2.gz VKRXHMHQTXUUGC-GOSISDBHSA-N 1 3 333.520 2.992 20 0 EFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCCC2 ZINC000353312645 475859198 /nfs/dbraw/zinc/85/91/98/475859198.db2.gz JOENWUAUXSQWRT-OALUTQOASA-N 1 3 343.515 2.588 20 0 EFADHO CN(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC12CCCC2 ZINC000353312644 475859420 /nfs/dbraw/zinc/85/94/20/475859420.db2.gz JOENWUAUXSQWRT-MOPGFXCFSA-N 1 3 343.515 2.588 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000333207449 475870313 /nfs/dbraw/zinc/87/03/13/475870313.db2.gz ZCOXWLPAIHJAOV-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000333207452 475870910 /nfs/dbraw/zinc/87/09/10/475870910.db2.gz ZCOXWLPAIHJAOV-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO CC(C)(C)[NH+]1CCC(N[C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000358713407 475876888 /nfs/dbraw/zinc/87/68/88/475876888.db2.gz KKVJZMXAUWIRGA-QGZVFWFLSA-N 1 3 329.488 2.924 20 0 EFADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccccc3F)no1)CC[NH2+]CC2 ZINC000333236317 475879246 /nfs/dbraw/zinc/87/92/46/475879246.db2.gz ACLPZPRSKYLQQK-CYBMUJFWSA-N 1 3 330.407 2.840 20 0 EFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000346819351 475884577 /nfs/dbraw/zinc/88/45/77/475884577.db2.gz BGOCCLBSSBUQQN-FUHWJXTLSA-N 1 3 349.906 2.729 20 0 EFADHO CCN(CC)C(=O)CN1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358733967 475893247 /nfs/dbraw/zinc/89/32/47/475893247.db2.gz DPIXFEGQFJHTTN-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCN(CC)C(=O)CN1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358733967 475893256 /nfs/dbraw/zinc/89/32/56/475893256.db2.gz DPIXFEGQFJHTTN-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC000349055104 475898140 /nfs/dbraw/zinc/89/81/40/475898140.db2.gz ONPVDLDYZPDGCH-ATZDWAIDSA-N 1 3 347.478 2.652 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000349052700 475898933 /nfs/dbraw/zinc/89/89/33/475898933.db2.gz ATFKXRHNQYGTGM-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO COC[C@H](CC(C)C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000361967643 475903809 /nfs/dbraw/zinc/90/38/09/475903809.db2.gz VLGVYBFXEJQYSF-IBGZPJMESA-N 1 3 334.504 2.794 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297854485 475905731 /nfs/dbraw/zinc/90/57/31/475905731.db2.gz OXCWVSYUNJJVNR-HXUWFJFHSA-N 1 3 344.503 2.740 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297854485 475905736 /nfs/dbraw/zinc/90/57/36/475905736.db2.gz OXCWVSYUNJJVNR-HXUWFJFHSA-N 1 3 344.503 2.740 20 0 EFADHO CCN(CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)C1CC1 ZINC000338450084 475915566 /nfs/dbraw/zinc/91/55/66/475915566.db2.gz ZWKILGONKWDPPR-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CCN(CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1)C1CC1 ZINC000338450084 475915575 /nfs/dbraw/zinc/91/55/75/475915575.db2.gz ZWKILGONKWDPPR-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(CCc2cscn2)CC1 ZINC000340291301 475922576 /nfs/dbraw/zinc/92/25/76/475922576.db2.gz VRBRCEXUEGLUKA-UHFFFAOYSA-N 1 3 325.522 2.756 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(CCc2cscn2)CC1 ZINC000340291301 475922583 /nfs/dbraw/zinc/92/25/83/475922583.db2.gz VRBRCEXUEGLUKA-UHFFFAOYSA-N 1 3 325.522 2.756 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000358779110 475930940 /nfs/dbraw/zinc/93/09/40/475930940.db2.gz VDMMVNOXWUBYDK-LJQANCHMSA-N 1 3 348.535 2.691 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333459634 475943865 /nfs/dbraw/zinc/94/38/65/475943865.db2.gz GEOTVMDQRIJXAB-APWZRJJASA-N 1 3 342.487 2.934 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333459634 475943873 /nfs/dbraw/zinc/94/38/73/475943873.db2.gz GEOTVMDQRIJXAB-APWZRJJASA-N 1 3 342.487 2.934 20 0 EFADHO O=C1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CN1 ZINC000353407483 475944629 /nfs/dbraw/zinc/94/46/29/475944629.db2.gz WMAZDZFPZXGJBZ-VNTMZGSJSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1 ZINC000353407483 475944635 /nfs/dbraw/zinc/94/46/35/475944635.db2.gz WMAZDZFPZXGJBZ-VNTMZGSJSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1 ZINC000353407483 475944641 /nfs/dbraw/zinc/94/46/41/475944641.db2.gz WMAZDZFPZXGJBZ-VNTMZGSJSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CCCN(C)C2)CCO1 ZINC000297995121 475947259 /nfs/dbraw/zinc/94/72/59/475947259.db2.gz ZBBYGQBILAUZDN-ZWKOTPCHSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCN(C)C2)CCO1 ZINC000297995121 475947261 /nfs/dbraw/zinc/94/72/61/475947261.db2.gz ZBBYGQBILAUZDN-ZWKOTPCHSA-N 1 3 331.504 2.685 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338484834 475947516 /nfs/dbraw/zinc/94/75/16/475947516.db2.gz RGICSWGLCCIOKO-LNLFQRSKSA-N 1 3 346.519 2.851 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000338487797 475950787 /nfs/dbraw/zinc/95/07/87/475950787.db2.gz XOFIEPCJSSTILN-FUHWJXTLSA-N 1 3 334.508 2.627 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)c1ccsc1 ZINC000353429667 475958608 /nfs/dbraw/zinc/95/86/08/475958608.db2.gz PXUDAHSKJMWPSP-GVDBMIGSSA-N 1 3 337.533 2.881 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000353445563 475973849 /nfs/dbraw/zinc/97/38/49/475973849.db2.gz IPZDAZUYFSZPOC-AABGKKOBSA-N 1 3 343.515 2.791 20 0 EFADHO C[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353444929 475974494 /nfs/dbraw/zinc/97/44/94/475974494.db2.gz HGFLYWZPLCCLNJ-UFYCRDLUSA-N 1 3 338.499 2.936 20 0 EFADHO C[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353444929 475974501 /nfs/dbraw/zinc/97/45/01/475974501.db2.gz HGFLYWZPLCCLNJ-UFYCRDLUSA-N 1 3 338.499 2.936 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071095 475975858 /nfs/dbraw/zinc/97/58/58/475975858.db2.gz VTKCUEFWYUYQJQ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071095 475975866 /nfs/dbraw/zinc/97/58/66/475975866.db2.gz VTKCUEFWYUYQJQ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO c1ccc2c(c1)nccc2NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000346945397 475981104 /nfs/dbraw/zinc/98/11/04/475981104.db2.gz OUISMPHVGVCVSJ-UHFFFAOYSA-N 1 3 347.466 2.676 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCCO1 ZINC000340371157 475986343 /nfs/dbraw/zinc/98/63/43/475986343.db2.gz PUXZCOQHCPUBIA-HLAWJBBLSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000353466672 475992409 /nfs/dbraw/zinc/99/24/09/475992409.db2.gz IMUOLUQUEGCKQN-SLFFLAALSA-N 1 3 343.515 2.964 20 0 EFADHO C[N@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358857600 475992701 /nfs/dbraw/zinc/99/27/01/475992701.db2.gz MVUMWRFDEJFORP-GOSISDBHSA-N 1 3 335.467 2.639 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358857600 475992707 /nfs/dbraw/zinc/99/27/07/475992707.db2.gz MVUMWRFDEJFORP-GOSISDBHSA-N 1 3 335.467 2.639 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358857604 475993251 /nfs/dbraw/zinc/99/32/51/475993251.db2.gz MVUMWRFDEJFORP-SFHVURJKSA-N 1 3 335.467 2.639 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000358857604 475993260 /nfs/dbraw/zinc/99/32/60/475993260.db2.gz MVUMWRFDEJFORP-SFHVURJKSA-N 1 3 335.467 2.639 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000349739328 475993780 /nfs/dbraw/zinc/99/37/80/475993780.db2.gz BQAOXDKXZJRXPH-ROUUACIJSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000298136132 475994004 /nfs/dbraw/zinc/99/40/04/475994004.db2.gz ZAASKXVTJWKHHH-JUFRUHRKSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000298136132 475994008 /nfs/dbraw/zinc/99/40/08/475994008.db2.gz ZAASKXVTJWKHHH-JUFRUHRKSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467077 475994650 /nfs/dbraw/zinc/99/46/50/475994650.db2.gz KRCYLCDTVNZBHW-SWLSCSKDSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467077 475994661 /nfs/dbraw/zinc/99/46/61/475994661.db2.gz KRCYLCDTVNZBHW-SWLSCSKDSA-N 1 3 343.393 2.567 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000353469990 475996470 /nfs/dbraw/zinc/99/64/70/475996470.db2.gz HUXHTNPRCATPPI-TZIWHRDSSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358866375 475999669 /nfs/dbraw/zinc/99/96/69/475999669.db2.gz QSZUFFJGDQVIHL-IIDMSEBBSA-N 1 3 349.494 2.741 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353477496 476002835 /nfs/dbraw/zinc/00/28/35/476002835.db2.gz CAQZBVWXUQNPCR-WBTNSWJXSA-N 1 3 335.517 2.635 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358888525 476013966 /nfs/dbraw/zinc/01/39/66/476013966.db2.gz SVESOVJQUDEMLO-MSOLQXFVSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358888525 476013972 /nfs/dbraw/zinc/01/39/72/476013972.db2.gz SVESOVJQUDEMLO-MSOLQXFVSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358888530 476014949 /nfs/dbraw/zinc/01/49/49/476014949.db2.gz SVESOVJQUDEMLO-ZWKOTPCHSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358888530 476014959 /nfs/dbraw/zinc/01/49/59/476014959.db2.gz SVESOVJQUDEMLO-ZWKOTPCHSA-N 1 3 335.467 2.639 20 0 EFADHO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000298238064 476029100 /nfs/dbraw/zinc/02/91/00/476029100.db2.gz CAHSDOMZGUUJPB-CALCHBBNSA-N 1 3 346.519 2.528 20 0 EFADHO C[C@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H](C)O1 ZINC000298238073 476029682 /nfs/dbraw/zinc/02/96/82/476029682.db2.gz CAHSDOMZGUUJPB-IRXDYDNUSA-N 1 3 346.519 2.528 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)[C@H]1SC ZINC000298257735 476036278 /nfs/dbraw/zinc/03/62/78/476036278.db2.gz FEYHPZWIKOMVOG-KBAYOESNSA-N 1 3 338.517 2.626 20 0 EFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000347023866 476042981 /nfs/dbraw/zinc/04/29/81/476042981.db2.gz QFKCHCSNRMCWRN-UHFFFAOYSA-N 1 3 328.460 2.907 20 0 EFADHO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000353520930 476043616 /nfs/dbraw/zinc/04/36/16/476043616.db2.gz PZDHPKVZKCRZJS-XRXFAXGQSA-N 1 3 346.515 2.664 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525339 476046933 /nfs/dbraw/zinc/04/69/33/476046933.db2.gz YJMPBHBYPYYLGI-WNRNVDISSA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525339 476046939 /nfs/dbraw/zinc/04/69/39/476046939.db2.gz YJMPBHBYPYYLGI-WNRNVDISSA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)F ZINC000353525339 476046943 /nfs/dbraw/zinc/04/69/43/476046943.db2.gz YJMPBHBYPYYLGI-WNRNVDISSA-N 1 3 338.442 2.893 20 0 EFADHO COc1ccc2c(c1)OC[C@@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)C2 ZINC000333862324 476047906 /nfs/dbraw/zinc/04/79/06/476047906.db2.gz SJKCKDPSMDZZTI-OFSFZPRKSA-N 1 3 342.483 2.742 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@]3(C)CCCO3)cc2)CC1 ZINC000340472690 476055895 /nfs/dbraw/zinc/05/58/95/476055895.db2.gz KJCPCYKYZRSHNU-RXVVDRJESA-N 1 3 345.531 2.871 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353538751 476057765 /nfs/dbraw/zinc/05/77/65/476057765.db2.gz VIJCWEPPFXHHNC-XNHLSEOASA-N 1 3 336.524 2.518 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353538751 476057771 /nfs/dbraw/zinc/05/77/71/476057771.db2.gz VIJCWEPPFXHHNC-XNHLSEOASA-N 1 3 336.524 2.518 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000358943253 476058097 /nfs/dbraw/zinc/05/80/97/476058097.db2.gz OIFYQEVVMNXSLL-GOSISDBHSA-N 1 3 328.460 2.528 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000343439180 476064601 /nfs/dbraw/zinc/06/46/01/476064601.db2.gz GXLXHVGCXXMKGB-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000343439180 476064609 /nfs/dbraw/zinc/06/46/09/476064609.db2.gz GXLXHVGCXXMKGB-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCOc1c(OC)cc(CN2CCC(C[NH+](C)C)CC2)cc1OC ZINC000350145336 476067502 /nfs/dbraw/zinc/06/75/02/476067502.db2.gz HGHJIYRHIXCLNE-UHFFFAOYSA-N 1 3 336.476 2.876 20 0 EFADHO Cc1cccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N2CCOCC2)c1 ZINC000298385547 476075335 /nfs/dbraw/zinc/07/53/35/476075335.db2.gz LDXVCWZLGOZCPF-OAQYLSRUSA-N 1 3 343.515 2.585 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347075471 476079347 /nfs/dbraw/zinc/07/93/47/476079347.db2.gz UJYLMAUXYXSOMC-DNVCBOLYSA-N 1 3 346.471 2.591 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)CC(C)C ZINC000340517064 476080023 /nfs/dbraw/zinc/08/00/23/476080023.db2.gz YFVICSNYPYVSRV-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)CC(C)C ZINC000340517064 476080028 /nfs/dbraw/zinc/08/00/28/476080028.db2.gz YFVICSNYPYVSRV-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NC1CC[NH+](C2CCC2)CC1 ZINC000347083214 476084613 /nfs/dbraw/zinc/08/46/13/476084613.db2.gz FSRQSRAZVBGANX-LBPRGKRZSA-N 1 3 341.297 2.641 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](C)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000356147177 476084908 /nfs/dbraw/zinc/08/49/08/476084908.db2.gz BXPOLFJNMLITHI-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCN1C ZINC000343586881 476089284 /nfs/dbraw/zinc/08/92/84/476089284.db2.gz CENDLTAJGFXVLM-VQIMIIECSA-N 1 3 344.503 2.564 20 0 EFADHO Cn1nnc2cc(C[N@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000353592109 476107264 /nfs/dbraw/zinc/10/72/64/476107264.db2.gz OZOKBGYPDBSPOZ-IBGZPJMESA-N 1 3 349.482 2.922 20 0 EFADHO Cn1nnc2cc(C[N@@H+](C)C[C@@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000353592109 476107273 /nfs/dbraw/zinc/10/72/73/476107273.db2.gz OZOKBGYPDBSPOZ-IBGZPJMESA-N 1 3 349.482 2.922 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2csc(C)n2)[C@@H](C)C1 ZINC000347143259 476125322 /nfs/dbraw/zinc/12/53/22/476125322.db2.gz JANSYRLVXOLVST-YOEHRIQHSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2csc(C)n2)[C@@H](C)C1 ZINC000347143259 476125327 /nfs/dbraw/zinc/12/53/27/476125327.db2.gz JANSYRLVXOLVST-YOEHRIQHSA-N 1 3 325.522 2.721 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000336712370 476126240 /nfs/dbraw/zinc/12/62/40/476126240.db2.gz NTLJOQDUWKAJFV-PWRODBHTSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000336712370 476126250 /nfs/dbraw/zinc/12/62/50/476126250.db2.gz NTLJOQDUWKAJFV-PWRODBHTSA-N 1 3 327.516 2.925 20 0 EFADHO Cc1cc(C)n(CCN2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336788943 476130452 /nfs/dbraw/zinc/13/04/52/476130452.db2.gz HYDKJEBANGRXPF-NHCUHLMSSA-N 1 3 338.499 2.954 20 0 EFADHO Cc1cc(C)n(CCN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336788943 476130456 /nfs/dbraw/zinc/13/04/56/476130456.db2.gz HYDKJEBANGRXPF-NHCUHLMSSA-N 1 3 338.499 2.954 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H]1OC ZINC000336795421 476133441 /nfs/dbraw/zinc/13/34/41/476133441.db2.gz KLESHGBEFRKBCL-HUJIQXBTSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H]1OC ZINC000336795421 476133451 /nfs/dbraw/zinc/13/34/51/476133451.db2.gz KLESHGBEFRKBCL-HUJIQXBTSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@H]1OC ZINC000336795421 476133462 /nfs/dbraw/zinc/13/34/62/476133462.db2.gz KLESHGBEFRKBCL-HUJIQXBTSA-N 1 3 344.499 2.679 20 0 EFADHO NC(=O)c1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336815314 476134621 /nfs/dbraw/zinc/13/46/21/476134621.db2.gz HMWFPTVECYSFGB-NHCUHLMSSA-N 1 3 349.478 2.739 20 0 EFADHO NC(=O)c1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000336815314 476134624 /nfs/dbraw/zinc/13/46/24/476134624.db2.gz HMWFPTVECYSFGB-NHCUHLMSSA-N 1 3 349.478 2.739 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C12CCCCC2 ZINC000344101634 476159296 /nfs/dbraw/zinc/15/92/96/476159296.db2.gz MTYNDJWIFWZLSH-GUDVDZBRSA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCC[C@@H]1C ZINC000344149428 476164292 /nfs/dbraw/zinc/16/42/92/476164292.db2.gz UIHWQMGCZZXGSO-MHORFTMASA-N 1 3 336.524 2.518 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663279 476168530 /nfs/dbraw/zinc/16/85/30/476168530.db2.gz UIUVHSPKXPFYPH-IPMKNSEASA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663279 476168540 /nfs/dbraw/zinc/16/85/40/476168540.db2.gz UIUVHSPKXPFYPH-IPMKNSEASA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663279 476168547 /nfs/dbraw/zinc/16/85/47/476168547.db2.gz UIUVHSPKXPFYPH-IPMKNSEASA-N 1 3 328.504 2.953 20 0 EFADHO CCC[C@@](C)(N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353664401 476169251 /nfs/dbraw/zinc/16/92/51/476169251.db2.gz OKHIVZRLTSSWOJ-QFBILLFUSA-N 1 3 347.503 2.520 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357043467 476182703 /nfs/dbraw/zinc/18/27/03/476182703.db2.gz GIFGYNJCWMCAPI-KRWDZBQOSA-N 1 3 328.435 2.833 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357045090 476184645 /nfs/dbraw/zinc/18/46/45/476184645.db2.gz HPJYXZQLHWOPIU-LJQANCHMSA-N 1 3 342.462 2.892 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357052668 476191312 /nfs/dbraw/zinc/19/13/12/476191312.db2.gz RIHZCONIJNGLMT-AEFFLSMTSA-N 1 3 331.504 2.934 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000350458108 476192271 /nfs/dbraw/zinc/19/22/71/476192271.db2.gz NOTMAVBQHOFKDV-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO Clc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000357061114 476197833 /nfs/dbraw/zinc/19/78/33/476197833.db2.gz ZOGFRUNFNXIEMJ-OAHLLOKOSA-N 1 3 345.878 2.742 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359133185 476206855 /nfs/dbraw/zinc/20/68/55/476206855.db2.gz GUJCTQNOJVIILA-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CN(CCOCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000357071550 476207241 /nfs/dbraw/zinc/20/72/41/476207241.db2.gz CCJIEKSAMQSHRO-ZDUSSCGKSA-N 1 3 345.306 2.893 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359133186 476207245 /nfs/dbraw/zinc/20/72/45/476207245.db2.gz GUJCTQNOJVIILA-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000344278485 476212719 /nfs/dbraw/zinc/21/27/19/476212719.db2.gz UQNCXLJTCJVFEX-NTDBWNAOSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000344278485 476212728 /nfs/dbraw/zinc/21/27/28/476212728.db2.gz UQNCXLJTCJVFEX-NTDBWNAOSA-N 1 3 329.488 2.811 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)CN1CCCCC1)CC(C)C ZINC000302953366 476213468 /nfs/dbraw/zinc/21/34/68/476213468.db2.gz OLMMUGLPTFPTFV-QZTJIDSGSA-N 1 3 340.556 2.917 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000357080123 476214481 /nfs/dbraw/zinc/21/44/81/476214481.db2.gz STQFOYKYFVFPPL-QFBILLFUSA-N 1 3 346.519 2.536 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000303047028 476218408 /nfs/dbraw/zinc/21/84/08/476218408.db2.gz XJXLBMHWYXSSLZ-IEBWSBKVSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000303047034 476218499 /nfs/dbraw/zinc/21/84/99/476218499.db2.gz XJXLBMHWYXSSLZ-PKOBYXMFSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000303190246 476222324 /nfs/dbraw/zinc/22/23/24/476222324.db2.gz FJLOWPVDWLIAEO-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000303190246 476222326 /nfs/dbraw/zinc/22/23/26/476222326.db2.gz FJLOWPVDWLIAEO-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353731370 476224286 /nfs/dbraw/zinc/22/42/86/476224286.db2.gz VFKKDTQZMLWLSA-MJGOQNOKSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353731370 476224293 /nfs/dbraw/zinc/22/42/93/476224293.db2.gz VFKKDTQZMLWLSA-MJGOQNOKSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCN1C ZINC000344296111 476226212 /nfs/dbraw/zinc/22/62/12/476226212.db2.gz QKUDVRVJNZPRLB-QAPCUYQASA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000303275820 476227951 /nfs/dbraw/zinc/22/79/51/476227951.db2.gz SKJGMICCFPMYIT-OWCLPIDISA-N 1 3 338.540 2.525 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000303275820 476227960 /nfs/dbraw/zinc/22/79/60/476227960.db2.gz SKJGMICCFPMYIT-OWCLPIDISA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000303275821 476228377 /nfs/dbraw/zinc/22/83/77/476228377.db2.gz SKJGMICCFPMYIT-XHSDSOJGSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000303275821 476228386 /nfs/dbraw/zinc/22/83/86/476228386.db2.gz SKJGMICCFPMYIT-XHSDSOJGSA-N 1 3 338.540 2.525 20 0 EFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359376901 476228670 /nfs/dbraw/zinc/22/86/70/476228670.db2.gz VLQXFGJXOQJWOF-QGZVFWFLSA-N 1 3 348.535 2.711 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303429808 476236561 /nfs/dbraw/zinc/23/65/61/476236561.db2.gz BRGSVAPERZVDNT-WNRNVDISSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000303459311 476236905 /nfs/dbraw/zinc/23/69/05/476236905.db2.gz KYEJDZGQLMNLFU-QZTJIDSGSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357108066 476238199 /nfs/dbraw/zinc/23/81/99/476238199.db2.gz SNWKHEUIBJLOKK-MRXNPFEDSA-N 1 3 330.476 2.772 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000353750750 476246745 /nfs/dbraw/zinc/24/67/45/476246745.db2.gz YXLZZTTUDJLRTL-SJLPKXTDSA-N 1 3 348.487 2.933 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000353750750 476246750 /nfs/dbraw/zinc/24/67/50/476246750.db2.gz YXLZZTTUDJLRTL-SJLPKXTDSA-N 1 3 348.487 2.933 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1)C1CC1 ZINC000362512183 476291692 /nfs/dbraw/zinc/29/16/92/476291692.db2.gz JOWPPVJQLOLEEJ-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]2CN(C)C)cc1)C1CC1 ZINC000362512183 476291694 /nfs/dbraw/zinc/29/16/94/476291694.db2.gz JOWPPVJQLOLEEJ-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO C[C@H](NCCn1cnnc1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357227361 476297022 /nfs/dbraw/zinc/29/70/22/476297022.db2.gz FBEHOJSXHNFDNF-LPHOPBHVSA-N 1 3 339.487 2.656 20 0 EFADHO C[C@H](NCCn1cnnc1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227361 476297028 /nfs/dbraw/zinc/29/70/28/476297028.db2.gz FBEHOJSXHNFDNF-LPHOPBHVSA-N 1 3 339.487 2.656 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000360339502 476300183 /nfs/dbraw/zinc/30/01/83/476300183.db2.gz UHYSCDQYNQIXTB-KCITZHQASA-N 1 3 331.504 2.820 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000360549756 476306767 /nfs/dbraw/zinc/30/67/67/476306767.db2.gz LKVOELLEARJKOO-CSODTCANSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000360549756 476306771 /nfs/dbraw/zinc/30/67/71/476306771.db2.gz LKVOELLEARJKOO-CSODTCANSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000357275616 476312132 /nfs/dbraw/zinc/31/21/32/476312132.db2.gz PKNVKHZZURRWRW-OQIJWPOYSA-N 1 3 344.503 2.556 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000357275616 476312136 /nfs/dbraw/zinc/31/21/36/476312136.db2.gz PKNVKHZZURRWRW-OQIJWPOYSA-N 1 3 344.503 2.556 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000353926518 476327088 /nfs/dbraw/zinc/32/70/88/476327088.db2.gz GZQIILZJIPMATR-FPOVZHCZSA-N 1 3 346.515 2.938 20 0 EFADHO CC[C@H]1CC[C@@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362625235 476331724 /nfs/dbraw/zinc/33/17/24/476331724.db2.gz ZIFDCRWXLLARCR-WBVHZDCISA-N 1 3 336.524 2.518 20 0 EFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353945106 476332761 /nfs/dbraw/zinc/33/27/61/476332761.db2.gz NCTHGJAIBUSQLQ-NHCUHLMSSA-N 1 3 345.531 2.729 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353952100 476334671 /nfs/dbraw/zinc/33/46/71/476334671.db2.gz SPXMRDNJOPBZRE-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353952100 476334673 /nfs/dbraw/zinc/33/46/73/476334673.db2.gz SPXMRDNJOPBZRE-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357360287 476345450 /nfs/dbraw/zinc/34/54/50/476345450.db2.gz CQBBOCMIXYZFIN-IEBWSBKVSA-N 1 3 347.478 2.768 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000357402749 476360489 /nfs/dbraw/zinc/36/04/89/476360489.db2.gz APTYYRCHBZJGAG-IBGZPJMESA-N 1 3 335.467 2.713 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354035189 476381609 /nfs/dbraw/zinc/38/16/09/476381609.db2.gz KGPMWBMAYCQTKH-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000363485659 476405235 /nfs/dbraw/zinc/40/52/35/476405235.db2.gz PYFLSPYFHRSCHM-KDURUIRLSA-N 1 3 348.535 2.875 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000363485662 476406034 /nfs/dbraw/zinc/40/60/34/476406034.db2.gz PYFLSPYFHRSCHM-OALUTQOASA-N 1 3 348.535 2.875 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000373528431 476413905 /nfs/dbraw/zinc/41/39/05/476413905.db2.gz KJCNLJMNSQJXPK-WZYMTQMTSA-N 1 3 325.497 2.847 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000373528431 476413910 /nfs/dbraw/zinc/41/39/10/476413910.db2.gz KJCNLJMNSQJXPK-WZYMTQMTSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362839331 476434402 /nfs/dbraw/zinc/43/44/02/476434402.db2.gz QDYPCXZYAUFXHA-JTDSTZFVSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362839331 476434406 /nfs/dbraw/zinc/43/44/06/476434406.db2.gz QDYPCXZYAUFXHA-JTDSTZFVSA-N 1 3 329.488 2.526 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000373941149 476443111 /nfs/dbraw/zinc/44/31/11/476443111.db2.gz CISZGRBZZBULSF-XIRDDKMYSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000373941149 476443119 /nfs/dbraw/zinc/44/31/19/476443119.db2.gz CISZGRBZZBULSF-XIRDDKMYSA-N 1 3 331.460 2.629 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CC[C@H](O)c3ccccc3)CC2)CC1 ZINC000377554977 476449694 /nfs/dbraw/zinc/44/96/94/476449694.db2.gz PQTZPRVCRWCMBW-NRFANRHFSA-N 1 3 345.531 2.601 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363595158 476451780 /nfs/dbraw/zinc/45/17/80/476451780.db2.gz LWPLXIFMJUCFAX-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000354145352 476459405 /nfs/dbraw/zinc/45/94/05/476459405.db2.gz BGHIUTYDRVGJCU-CQSZACIVSA-N 1 3 333.867 2.742 20 0 EFADHO Cc1ccncc1CCC[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000377613010 476473726 /nfs/dbraw/zinc/47/37/26/476473726.db2.gz CTANEDPTZNGCMG-UHFFFAOYSA-N 1 3 344.547 2.813 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cc3ccc(F)cc3[nH]2)ccn1 ZINC000362922992 476483811 /nfs/dbraw/zinc/48/38/11/476483811.db2.gz HDMDZIABOIYXIJ-UHFFFAOYSA-N 1 3 342.418 2.932 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939265 476492759 /nfs/dbraw/zinc/49/27/59/476492759.db2.gz YHEOLKYXRPNFRI-VQIMIIECSA-N 1 3 345.487 2.688 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939265 476492770 /nfs/dbraw/zinc/49/27/70/476492770.db2.gz YHEOLKYXRPNFRI-VQIMIIECSA-N 1 3 345.487 2.688 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000369759928 476512355 /nfs/dbraw/zinc/51/23/55/476512355.db2.gz KYGHZZLZVWFPND-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000369759928 476512362 /nfs/dbraw/zinc/51/23/62/476512362.db2.gz KYGHZZLZVWFPND-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN(CCOc1cc(Cl)ccc1Cl)C1CC[NH+](CCO)CC1 ZINC000357647075 476512514 /nfs/dbraw/zinc/51/25/14/476512514.db2.gz MEQDRVHANRGTSF-UHFFFAOYSA-N 1 3 347.286 2.761 20 0 EFADHO COC(=O)CCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000360974937 476517779 /nfs/dbraw/zinc/51/77/79/476517779.db2.gz LJUWAMAHJVCWJB-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000360974937 476517788 /nfs/dbraw/zinc/51/77/88/476517788.db2.gz LJUWAMAHJVCWJB-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000363000338 476522856 /nfs/dbraw/zinc/52/28/56/476522856.db2.gz FPAGKCOWHBQCPA-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccco1 ZINC000354231139 476525326 /nfs/dbraw/zinc/52/53/26/476525326.db2.gz QYMLFRCUNMJTKH-QSJFSLAZSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccco1 ZINC000354231139 476525334 /nfs/dbraw/zinc/52/53/34/476525334.db2.gz QYMLFRCUNMJTKH-QSJFSLAZSA-N 1 3 348.491 2.633 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000352125712 476525651 /nfs/dbraw/zinc/52/56/51/476525651.db2.gz KYADFWIDLDKSRJ-MRXNPFEDSA-N 1 3 341.565 2.631 20 0 EFADHO CN(Cc1ccccc1C[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352186150 476534906 /nfs/dbraw/zinc/53/49/06/476534906.db2.gz JJBJWDRCMWJBER-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccccc1C[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352186150 476534911 /nfs/dbraw/zinc/53/49/11/476534911.db2.gz JJBJWDRCMWJBER-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1)[C@H]1CCCOC1 ZINC000352219275 476560089 /nfs/dbraw/zinc/56/00/89/476560089.db2.gz CPHIVUAFNYQSSZ-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1)[C@H]1CCCOC1 ZINC000352219275 476560096 /nfs/dbraw/zinc/56/00/96/476560096.db2.gz CPHIVUAFNYQSSZ-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CCCN3CCCC3)CC[C@@H]2C1 ZINC000377757934 476563722 /nfs/dbraw/zinc/56/37/22/476563722.db2.gz GUFXVFXUFBOQEY-SJORKVTESA-N 1 3 337.508 2.661 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CCCN3CCCC3)CC[C@@H]2C1 ZINC000377757934 476563724 /nfs/dbraw/zinc/56/37/24/476563724.db2.gz GUFXVFXUFBOQEY-SJORKVTESA-N 1 3 337.508 2.661 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377761796 476565525 /nfs/dbraw/zinc/56/55/25/476565525.db2.gz PTWDCAYBNHTFES-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377761796 476565531 /nfs/dbraw/zinc/56/55/31/476565531.db2.gz PTWDCAYBNHTFES-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377761794 476566623 /nfs/dbraw/zinc/56/66/23/476566623.db2.gz PTWDCAYBNHTFES-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377761794 476566626 /nfs/dbraw/zinc/56/66/26/476566626.db2.gz PTWDCAYBNHTFES-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000361051902 476567935 /nfs/dbraw/zinc/56/79/35/476567935.db2.gz LLQCAXWBORCVML-PXNSSMCTSA-N 1 3 329.488 2.801 20 0 EFADHO CC[NH+]1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000354310266 476575938 /nfs/dbraw/zinc/57/59/38/476575938.db2.gz BYDHBFYUFMMFRM-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361082536 476588170 /nfs/dbraw/zinc/58/81/70/476588170.db2.gz VRELJSGCDFKUFC-NVXWUHKLSA-N 1 3 341.455 2.612 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377844368 476609875 /nfs/dbraw/zinc/60/98/75/476609875.db2.gz WEMUCLDQTCDETQ-SFHVURJKSA-N 1 3 327.488 2.580 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000357804946 476617638 /nfs/dbraw/zinc/61/76/38/476617638.db2.gz MYTGTAZRKZJVJZ-UWWQBHOKSA-N 1 3 335.517 2.779 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000357804944 476617870 /nfs/dbraw/zinc/61/78/70/476617870.db2.gz MYTGTAZRKZJVJZ-KYJSFNMBSA-N 1 3 335.517 2.779 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000374985092 476622268 /nfs/dbraw/zinc/62/22/68/476622268.db2.gz YHDKNHYNADTFNP-AABGKKOBSA-N 1 3 341.499 2.607 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357812401 476623765 /nfs/dbraw/zinc/62/37/65/476623765.db2.gz HIVHBXHEMDBLIH-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000357812401 476623770 /nfs/dbraw/zinc/62/37/70/476623770.db2.gz HIVHBXHEMDBLIH-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352332138 476642899 /nfs/dbraw/zinc/64/28/99/476642899.db2.gz YCXXLJGQVHHIRF-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352332138 476642907 /nfs/dbraw/zinc/64/29/07/476642907.db2.gz YCXXLJGQVHHIRF-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@H]1COCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000370051696 476648217 /nfs/dbraw/zinc/64/82/17/476648217.db2.gz DFGVUTLYEXGSPV-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000352340955 476648844 /nfs/dbraw/zinc/64/88/44/476648844.db2.gz UBHMGNUWKWPDTH-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352341587 476649179 /nfs/dbraw/zinc/64/91/79/476649179.db2.gz YXCPWFSFMIRNEW-RBUKOAKNSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352341587 476649185 /nfs/dbraw/zinc/64/91/85/476649185.db2.gz YXCPWFSFMIRNEW-RBUKOAKNSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357866731 476659889 /nfs/dbraw/zinc/65/98/89/476659889.db2.gz KAFREMACKZBROT-DLBZAZTESA-N 1 3 336.524 2.591 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1=CCN(C)CC1 ZINC000357866731 476659896 /nfs/dbraw/zinc/65/98/96/476659896.db2.gz KAFREMACKZBROT-DLBZAZTESA-N 1 3 336.524 2.591 20 0 EFADHO C[C@@H](NC(=O)NCCC[N@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000357870256 476661533 /nfs/dbraw/zinc/66/15/33/476661533.db2.gz NLGKCKSKYRGQDT-MRXNPFEDSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C1=CCN(C)CC1 ZINC000357870256 476661537 /nfs/dbraw/zinc/66/15/37/476661537.db2.gz NLGKCKSKYRGQDT-MRXNPFEDSA-N 1 3 336.524 2.591 20 0 EFADHO CSC1(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)CCC1 ZINC000365666776 476669331 /nfs/dbraw/zinc/66/93/31/476669331.db2.gz LXHTUIGXKCXADQ-UHFFFAOYSA-N 1 3 325.566 2.763 20 0 EFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000354451311 476669827 /nfs/dbraw/zinc/66/98/27/476669827.db2.gz AVLYYPWIDDEUIN-TZIWHRDSSA-N 1 3 346.515 2.938 20 0 EFADHO CCn1cc([C@H](C)NC/C=C\C[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000451891194 476703156 /nfs/dbraw/zinc/70/31/56/476703156.db2.gz RZJMFGQYINKZQB-FLELRFNZSA-N 1 3 330.480 2.677 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422137154 476706537 /nfs/dbraw/zinc/70/65/37/476706537.db2.gz PHUAEJQZFDANDK-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422137154 476706544 /nfs/dbraw/zinc/70/65/44/476706544.db2.gz PHUAEJQZFDANDK-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000443635885 476717255 /nfs/dbraw/zinc/71/72/55/476717255.db2.gz ZKHSBQSXGHGAFA-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000443635885 476717260 /nfs/dbraw/zinc/71/72/60/476717260.db2.gz ZKHSBQSXGHGAFA-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422612318 476717683 /nfs/dbraw/zinc/71/76/83/476717683.db2.gz ASLFAXMJNASKGY-KRWDZBQOSA-N 1 3 334.508 2.570 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000422626015 476721990 /nfs/dbraw/zinc/72/19/90/476721990.db2.gz DAPJOKPYWRYSJT-FRRDWIJNSA-N 1 3 325.403 2.599 20 0 EFADHO Nc1cc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000365837016 476723962 /nfs/dbraw/zinc/72/39/62/476723962.db2.gz KBAAEFWHDGYKCA-UHFFFAOYSA-N 1 3 336.483 3.152 20 0 EFADHO Nc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccn1 ZINC000365837016 476723967 /nfs/dbraw/zinc/72/39/67/476723967.db2.gz KBAAEFWHDGYKCA-UHFFFAOYSA-N 1 3 336.483 3.152 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422641867 476729192 /nfs/dbraw/zinc/72/91/92/476729192.db2.gz YNPHCCKUUIAUTF-XHSDSOJGSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422641867 476729199 /nfs/dbraw/zinc/72/91/99/476729199.db2.gz YNPHCCKUUIAUTF-XHSDSOJGSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@H]1C ZINC000422641867 476729205 /nfs/dbraw/zinc/72/92/05/476729205.db2.gz YNPHCCKUUIAUTF-XHSDSOJGSA-N 1 3 333.476 2.719 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379661928 476730815 /nfs/dbraw/zinc/73/08/15/476730815.db2.gz GUOYTOBJNGIMKA-HBFSDRIKSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000379663811 476731328 /nfs/dbraw/zinc/73/13/28/476731328.db2.gz MNFKLXSMCDDAKR-QRQLOZEOSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000379674638 476731450 /nfs/dbraw/zinc/73/14/50/476731450.db2.gz UYGZYEAESIDLFF-RWQQGDIJSA-N 1 3 329.488 2.544 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422691113 476734696 /nfs/dbraw/zinc/73/46/96/476734696.db2.gz HLKKRJSIUPBMFU-QHAWAJNXSA-N 1 3 343.515 2.529 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709167 476737340 /nfs/dbraw/zinc/73/73/40/476737340.db2.gz CZDLGEOTTXKTRJ-IHPCNDPISA-N 1 3 333.520 2.816 20 0 EFADHO CCN(CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000381887747 476740406 /nfs/dbraw/zinc/74/04/06/476740406.db2.gz CHIJGYVCYPTGDB-HOTGVXAUSA-N 1 3 327.513 2.953 20 0 EFADHO COc1cccc(N2CC[C@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422714616 476741623 /nfs/dbraw/zinc/74/16/23/476741623.db2.gz RETMDANESBYBFC-WBVHZDCISA-N 1 3 340.471 2.787 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422713977 476741676 /nfs/dbraw/zinc/74/16/76/476741676.db2.gz QKXPVQJEODEJGV-IAGOWNOFSA-N 1 3 325.566 2.988 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422730472 476748181 /nfs/dbraw/zinc/74/81/81/476748181.db2.gz JTDUVJZNFTWMJP-HKUYNNGSSA-N 1 3 338.455 2.941 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728913 476748585 /nfs/dbraw/zinc/74/85/85/476748585.db2.gz JXPWPPZBIMSVGP-XIRDDKMYSA-N 1 3 341.421 2.997 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728913 476748590 /nfs/dbraw/zinc/74/85/90/476748590.db2.gz JXPWPPZBIMSVGP-XIRDDKMYSA-N 1 3 341.421 2.997 20 0 EFADHO CSc1nnc(CCC[NH2+][C@H]2CCCC[C@@H]2CN)n1CC(C)C ZINC000422735010 476749834 /nfs/dbraw/zinc/74/98/34/476749834.db2.gz UEDSGQGPGRFCEP-CABCVRRESA-N 1 3 339.553 2.696 20 0 EFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736911 476752279 /nfs/dbraw/zinc/75/22/79/476752279.db2.gz YTGCWXKFXYNAID-DOIPELPJSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422737959 476753722 /nfs/dbraw/zinc/75/37/22/476753722.db2.gz YCMAAKMAQSMEMA-CWFSZBLJSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1cccc(F)c1)N(C)C ZINC000422737959 476753729 /nfs/dbraw/zinc/75/37/29/476753729.db2.gz YCMAAKMAQSMEMA-CWFSZBLJSA-N 1 3 329.463 2.977 20 0 EFADHO FC(F)(F)c1ccccc1CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422738194 476754030 /nfs/dbraw/zinc/75/40/30/476754030.db2.gz IQCCLNOTWXKMPW-BHYGNILZSA-N 1 3 342.405 2.995 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)N1CCCC1 ZINC000422746101 476756333 /nfs/dbraw/zinc/75/63/33/476756333.db2.gz NJNIDLINQVPNBT-QRQLOZEOSA-N 1 3 331.504 2.810 20 0 EFADHO CC(C)(C)c1csc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422746711 476757330 /nfs/dbraw/zinc/75/73/30/476757330.db2.gz XACXRRLAOOTAMU-QLFBSQMISA-N 1 3 337.533 2.730 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)N(C)C ZINC000422748745 476757917 /nfs/dbraw/zinc/75/79/17/476757917.db2.gz VWADDHUNJVGYRV-UXPWSPDFSA-N 1 3 341.499 2.846 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N(C)C ZINC000422748745 476757923 /nfs/dbraw/zinc/75/79/23/476757923.db2.gz VWADDHUNJVGYRV-UXPWSPDFSA-N 1 3 341.499 2.846 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](c2ncccc2C)C(C)C)CC[NH2+]CC1 ZINC000422749081 476757944 /nfs/dbraw/zinc/75/79/44/476757944.db2.gz XKQNXDNTOVRKKE-SJORKVTESA-N 1 3 347.503 2.998 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422748744 476758414 /nfs/dbraw/zinc/75/84/14/476758414.db2.gz VWADDHUNJVGYRV-DBVUQKKJSA-N 1 3 341.499 2.846 20 0 EFADHO COc1ccccc1[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N(C)C ZINC000422748744 476758417 /nfs/dbraw/zinc/75/84/17/476758417.db2.gz VWADDHUNJVGYRV-DBVUQKKJSA-N 1 3 341.499 2.846 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422755055 476761569 /nfs/dbraw/zinc/76/15/69/476761569.db2.gz FHQJCIXUKDYHFR-VQIMIIECSA-N 1 3 329.488 2.517 20 0 EFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291788 476765104 /nfs/dbraw/zinc/76/51/04/476765104.db2.gz DAJMAJYNOJKRNY-AZUAARDMSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291788 476765109 /nfs/dbraw/zinc/76/51/09/476765109.db2.gz DAJMAJYNOJKRNY-AZUAARDMSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291791 476766903 /nfs/dbraw/zinc/76/69/03/476766903.db2.gz DAJMAJYNOJKRNY-UYAOXDASSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291791 476766909 /nfs/dbraw/zinc/76/69/09/476766909.db2.gz DAJMAJYNOJKRNY-UYAOXDASSA-N 1 3 337.467 2.715 20 0 EFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1 ZINC000422776559 476771103 /nfs/dbraw/zinc/77/11/03/476771103.db2.gz CZGWNHJXDYMOID-DNVCBOLYSA-N 1 3 328.456 2.794 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000387431907 476771322 /nfs/dbraw/zinc/77/13/22/476771322.db2.gz QIIQFBTVZQIWLL-CYBMUJFWSA-N 1 3 347.286 2.807 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422784809 476774919 /nfs/dbraw/zinc/77/49/19/476774919.db2.gz OULPVWAPLZZRGC-OAHLLOKOSA-N 1 3 338.499 2.599 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422790476 476776296 /nfs/dbraw/zinc/77/62/96/476776296.db2.gz CBPYXLBOMJYTSZ-PBFPGSCMSA-N 1 3 328.859 2.608 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422790476 476776303 /nfs/dbraw/zinc/77/63/03/476776303.db2.gz CBPYXLBOMJYTSZ-PBFPGSCMSA-N 1 3 328.859 2.608 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388612721 476777492 /nfs/dbraw/zinc/77/74/92/476777492.db2.gz MNANSDTYFFSZHT-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422801815 476783124 /nfs/dbraw/zinc/78/31/24/476783124.db2.gz AQPWCSGPLINEBD-FPOVZHCZSA-N 1 3 337.467 2.968 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1Cn1ccnc1 ZINC000422804544 476784811 /nfs/dbraw/zinc/78/48/11/476784811.db2.gz FKOFOWYEZVYANI-UTKZUKDTSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422804544 476784816 /nfs/dbraw/zinc/78/48/16/476784816.db2.gz FKOFOWYEZVYANI-UTKZUKDTSA-N 1 3 334.467 2.980 20 0 EFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422804743 476785647 /nfs/dbraw/zinc/78/56/47/476785647.db2.gz LCKAJZDVYVRBOY-QHAWAJNXSA-N 1 3 327.516 2.945 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000389898730 476786231 /nfs/dbraw/zinc/78/62/31/476786231.db2.gz BOXXDYHDZJVTOH-XLSIIYIISA-N 1 3 341.499 2.544 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000389989584 476788512 /nfs/dbraw/zinc/78/85/12/476788512.db2.gz NUGHJXHEAWCLCD-PANBIXPWSA-N 1 3 341.499 2.544 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@@H](C)O1 ZINC000422814012 476791014 /nfs/dbraw/zinc/79/10/14/476791014.db2.gz SWJSMAMAWMNODD-UFCFODDWSA-N 1 3 343.515 2.668 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422817433 476791549 /nfs/dbraw/zinc/79/15/49/476791549.db2.gz CYQMFMXSUCNGEJ-MOPGFXCFSA-N 1 3 325.456 2.861 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000422819077 476792985 /nfs/dbraw/zinc/79/29/85/476792985.db2.gz MFBMFBMGIWVLNK-RDJZCZTQSA-N 1 3 333.476 2.785 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422824086 476795035 /nfs/dbraw/zinc/79/50/35/476795035.db2.gz MUQSSQSPTBCYKP-RYUDHWBXSA-N 1 3 327.856 2.701 20 0 EFADHO C[C@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)CN(C)C ZINC000390819237 476798889 /nfs/dbraw/zinc/79/88/89/476798889.db2.gz SQMZNLGEDYRWDK-MRXNPFEDSA-N 1 3 333.476 2.575 20 0 EFADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422829253 476799222 /nfs/dbraw/zinc/79/92/22/476799222.db2.gz BOFMWBVNOPCQAZ-INDMIFKZSA-N 1 3 332.513 2.764 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390775635 476799293 /nfs/dbraw/zinc/79/92/93/476799293.db2.gz MSACTLHNRZDTDT-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422836218 476802628 /nfs/dbraw/zinc/80/26/28/476802628.db2.gz JPUPQOPLUXWNKB-WZGPROSRSA-N 1 3 349.906 2.665 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000392150716 476822124 /nfs/dbraw/zinc/82/21/24/476822124.db2.gz WQGKNUYZCZNEFE-PKOBYXMFSA-N 1 3 329.488 2.720 20 0 EFADHO CN1CC=C(C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392268100 476824892 /nfs/dbraw/zinc/82/48/92/476824892.db2.gz QRKOWXWYWHYVEE-IRXDYDNUSA-N 1 3 337.508 2.921 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCNCC[C@@H]3C)C2)c1 ZINC000422879650 476824912 /nfs/dbraw/zinc/82/49/12/476824912.db2.gz VUVKVJOWGHJMEV-YRNRMSPPSA-N 1 3 347.503 2.508 20 0 EFADHO COc1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000422895791 476831880 /nfs/dbraw/zinc/83/18/80/476831880.db2.gz GQERGDHPUOERND-JWTNVVGKSA-N 1 3 330.472 2.616 20 0 EFADHO COc1ccc(C2(C[NH2+][C@H]3CCCC[C@H]3CN)CCOCC2)cc1 ZINC000422896877 476834292 /nfs/dbraw/zinc/83/42/92/476834292.db2.gz IWFDPXUIVJFPEW-LPHOPBHVSA-N 1 3 332.488 2.851 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccccn2)CC1 ZINC000422899637 476835434 /nfs/dbraw/zinc/83/54/34/476835434.db2.gz OUTUGPHQZIDEKP-IEBWSBKVSA-N 1 3 330.520 2.946 20 0 EFADHO CN(C)CCOc1cccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422899432 476835939 /nfs/dbraw/zinc/83/59/39/476835939.db2.gz OLWUOYJQRDSTCQ-PMACEKPBSA-N 1 3 325.456 2.861 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422898392 476836199 /nfs/dbraw/zinc/83/61/99/476836199.db2.gz FAABTOYUNGKERY-OUCADQQQSA-N 1 3 347.286 2.840 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422898392 476836208 /nfs/dbraw/zinc/83/62/08/476836208.db2.gz FAABTOYUNGKERY-OUCADQQQSA-N 1 3 347.286 2.840 20 0 EFADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422900690 476836977 /nfs/dbraw/zinc/83/69/77/476836977.db2.gz QWGOCZPLMZYPDZ-FVQBIDKESA-N 1 3 326.868 2.759 20 0 EFADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422900690 476836979 /nfs/dbraw/zinc/83/69/79/476836979.db2.gz QWGOCZPLMZYPDZ-FVQBIDKESA-N 1 3 326.868 2.759 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906464 476839466 /nfs/dbraw/zinc/83/94/66/476839466.db2.gz JUBUYDUWZFINHS-VCBZYWHSSA-N 1 3 337.458 2.907 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422908185 476840481 /nfs/dbraw/zinc/84/04/81/476840481.db2.gz MCVFREZTBILYBO-CWRNSKLLSA-N 1 3 337.895 2.905 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CC[NH2+]CC[C@@H]2C)C1 ZINC000422908184 476840564 /nfs/dbraw/zinc/84/05/64/476840564.db2.gz MCVFREZTBILYBO-BPUTZDHNSA-N 1 3 337.895 2.905 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422917796 476845647 /nfs/dbraw/zinc/84/56/47/476845647.db2.gz HAMMLCSRDCAJIF-XFKAJCMBSA-N 1 3 338.879 2.854 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422915293 476845785 /nfs/dbraw/zinc/84/57/85/476845785.db2.gz ARCOZFDFZUVMNA-YALNPMBYSA-N 1 3 338.879 2.854 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nnc2n1CCCCC2 ZINC000422921375 476847197 /nfs/dbraw/zinc/84/71/97/476847197.db2.gz NZYZFKWSJQHDLV-IAGOWNOFSA-N 1 3 333.524 2.838 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCC[C@H]2CN)cc1 ZINC000422923952 476848684 /nfs/dbraw/zinc/84/86/84/476848684.db2.gz AGAOSQXVGYMLLI-IEZWGBDMSA-N 1 3 347.503 2.760 20 0 EFADHO [NH3+][C@@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)c2ccccc21 ZINC000422925442 476848780 /nfs/dbraw/zinc/84/87/80/476848780.db2.gz VGIHCAJDTUOVIR-IAGOWNOFSA-N 1 3 325.460 2.672 20 0 EFADHO CC[C@H](Nc1ccc(CN2CCN(CC)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926386 476849051 /nfs/dbraw/zinc/84/90/51/476849051.db2.gz WTMTXAWXNWVFDJ-PMACEKPBSA-N 1 3 330.520 2.767 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422940591 476855196 /nfs/dbraw/zinc/85/51/96/476855196.db2.gz HDTHLUIXDSJBNA-WFASDCNBSA-N 1 3 327.266 2.806 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422940474 476856217 /nfs/dbraw/zinc/85/62/17/476856217.db2.gz NIPXVINLRRJSOY-IPMKNSEASA-N 1 3 334.460 2.593 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000422938213 476856242 /nfs/dbraw/zinc/85/62/42/476856242.db2.gz GXUMYAFTUJNALD-MBOZVWFJSA-N 1 3 331.504 2.528 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422940472 476856254 /nfs/dbraw/zinc/85/62/54/476856254.db2.gz NIPXVINLRRJSOY-GUDVDZBRSA-N 1 3 334.460 2.593 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3ccn(C)n3)CC2)cc1 ZINC000414064456 476859630 /nfs/dbraw/zinc/85/96/30/476859630.db2.gz DVSFCAYSYIFUIU-INIZCTEOSA-N 1 3 342.487 2.992 20 0 EFADHO CCOC(=O)C1([C@@H](C)NC2(c3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC000422948572 476860652 /nfs/dbraw/zinc/86/06/52/476860652.db2.gz SLXIIXWLAFPUAP-CQSZACIVSA-N 1 3 334.435 2.726 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422951193 476862150 /nfs/dbraw/zinc/86/21/50/476862150.db2.gz ZVHDAVOZXDARPT-OALUTQOASA-N 1 3 325.412 2.758 20 0 EFADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422951388 476862279 /nfs/dbraw/zinc/86/22/79/476862279.db2.gz YJZYJOZSEDGPSZ-GBESFXJTSA-N 1 3 332.488 2.819 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCNC(=O)c1ccc(F)cc1 ZINC000422955136 476864761 /nfs/dbraw/zinc/86/47/61/476864761.db2.gz IRYIMXRNPKKOQR-MAUKXSAKSA-N 1 3 335.467 2.846 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@](C)(C[NH3+])C(C)C ZINC000430575253 476865322 /nfs/dbraw/zinc/86/53/22/476865322.db2.gz PVTBGMDJDZTSEN-MRXNPFEDSA-N 1 3 327.856 2.640 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1cncn1C ZINC000398036174 476865492 /nfs/dbraw/zinc/86/54/92/476865492.db2.gz PWTXBTGHNZWSQC-PXNSSMCTSA-N 1 3 326.488 2.853 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000398026554 476866494 /nfs/dbraw/zinc/86/64/94/476866494.db2.gz DWLGLZCLOGPLFM-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000398026554 476866499 /nfs/dbraw/zinc/86/64/99/476866499.db2.gz DWLGLZCLOGPLFM-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO CCOC(=O)C1([C@H](C)NC2(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000422958621 476867086 /nfs/dbraw/zinc/86/70/86/476867086.db2.gz PPYWFQLZIIVMKE-AWEZNQCLSA-N 1 3 334.435 2.726 20 0 EFADHO CN(CCC(=O)Nc1cccc(Br)c1)CC(C)(C)C[NH3+] ZINC000430579225 476867205 /nfs/dbraw/zinc/86/72/05/476867205.db2.gz YGUIJRVSQNYGJI-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@H+](CCC(=O)Nc1cccc(Br)c1)CC(C)(C)CN ZINC000430579225 476867214 /nfs/dbraw/zinc/86/72/14/476867214.db2.gz YGUIJRVSQNYGJI-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CC(C)(C)CN ZINC000430579225 476867224 /nfs/dbraw/zinc/86/72/24/476867224.db2.gz YGUIJRVSQNYGJI-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398126944 476868384 /nfs/dbraw/zinc/86/83/84/476868384.db2.gz IHFQUABOJOEDQG-ZHALLVOQSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CCCCCC1 ZINC000422961965 476868806 /nfs/dbraw/zinc/86/88/06/476868806.db2.gz DONXNXUSJMKFIR-NMLBUPMWSA-N 1 3 337.552 2.634 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000398101566 476869120 /nfs/dbraw/zinc/86/91/20/476869120.db2.gz ZJCPWPJBHMGXQX-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172917 476869102 /nfs/dbraw/zinc/86/91/02/476869102.db2.gz LMUBQQROQAKPQD-QFBILLFUSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172917 476869105 /nfs/dbraw/zinc/86/91/05/476869105.db2.gz LMUBQQROQAKPQD-QFBILLFUSA-N 1 3 333.520 2.726 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000370553979 476869858 /nfs/dbraw/zinc/86/98/58/476869858.db2.gz LVVLSMXJGGFFHD-GOSISDBHSA-N 1 3 325.460 2.699 20 0 EFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC1(C)C ZINC000414084423 476870837 /nfs/dbraw/zinc/87/08/37/476870837.db2.gz XFEXTVUJXWJSOF-MSOLQXFVSA-N 1 3 331.504 2.892 20 0 EFADHO CCc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414189929 476874232 /nfs/dbraw/zinc/87/42/32/476874232.db2.gz JZMOJPJVVIFFJO-SFHVURJKSA-N 1 3 345.531 2.696 20 0 EFADHO CN1CCC(C[NH2+][C@H]2CCCC23CCCCC3)(N2CCOCC2)CC1 ZINC000414203284 476875566 /nfs/dbraw/zinc/87/55/66/476875566.db2.gz VAKDKXIGQITCIV-IBGZPJMESA-N 1 3 349.563 2.876 20 0 EFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000414248290 476876731 /nfs/dbraw/zinc/87/67/31/476876731.db2.gz FPIBQSKCUBCOJS-DOTOQJQBSA-N 1 3 344.565 2.832 20 0 EFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430599786 476876806 /nfs/dbraw/zinc/87/68/06/476876806.db2.gz BBQCTJOGJOCIJW-LBPRGKRZSA-N 1 3 329.366 2.705 20 0 EFADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000430599785 476877068 /nfs/dbraw/zinc/87/70/68/476877068.db2.gz BBQCTJOGJOCIJW-GFCCVEGCSA-N 1 3 329.366 2.705 20 0 EFADHO C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422984863 476879265 /nfs/dbraw/zinc/87/92/65/476879265.db2.gz ZLKSGSPTFFYRQI-OXQOHEQNSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000430613129 476879495 /nfs/dbraw/zinc/87/94/95/476879495.db2.gz UZQPWVIFBWSZQI-HOTGVXAUSA-N 1 3 343.515 2.802 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@@H]2N)N(C)C)cc1OC ZINC000422989480 476880657 /nfs/dbraw/zinc/88/06/57/476880657.db2.gz LXMOVICMEXVIQY-BBWFWOEESA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1OC ZINC000422989480 476880665 /nfs/dbraw/zinc/88/06/65/476880665.db2.gz LXMOVICMEXVIQY-BBWFWOEESA-N 1 3 335.492 2.556 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C3CCC3)C3CCC3)CC2)CC1 ZINC000370580709 476882023 /nfs/dbraw/zinc/88/20/23/476882023.db2.gz WTKMFTKKXGCBMS-UHFFFAOYSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399371694 476883084 /nfs/dbraw/zinc/88/30/84/476883084.db2.gz KSMHCRVVGLDPLJ-LMMKCTJWSA-N 1 3 331.504 2.729 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994410 476883659 /nfs/dbraw/zinc/88/36/59/476883659.db2.gz VLQVICZPIQUZEM-DUVNUKRYSA-N 1 3 330.394 2.573 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994410 476883665 /nfs/dbraw/zinc/88/36/65/476883665.db2.gz VLQVICZPIQUZEM-DUVNUKRYSA-N 1 3 330.394 2.573 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399371695 476884068 /nfs/dbraw/zinc/88/40/68/476884068.db2.gz KSMHCRVVGLDPLJ-LNLFQRSKSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399526030 476884272 /nfs/dbraw/zinc/88/42/72/476884272.db2.gz QDKUJMPUIDQQMR-QRQLOZEOSA-N 1 3 331.504 2.634 20 0 EFADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423003685 476888430 /nfs/dbraw/zinc/88/84/30/476888430.db2.gz MZZVEMUSTVQVOY-GBESFXJTSA-N 1 3 332.488 2.720 20 0 EFADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423003684 476888481 /nfs/dbraw/zinc/88/84/81/476888481.db2.gz MZZVEMUSTVQVOY-CEXWTWQISA-N 1 3 332.488 2.720 20 0 EFADHO CC(C)C[C@@H]([NH3+])CN1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000414714023 476889230 /nfs/dbraw/zinc/88/92/30/476889230.db2.gz WSONRNKWMKKJTE-ZIFCJYIRSA-N 1 3 325.541 2.571 20 0 EFADHO C[C@@H](NC(=O)Nc1ccccc1CCN(C)C)C(C)(C)C[NH+](C)C ZINC000446586568 476890457 /nfs/dbraw/zinc/89/04/57/476890457.db2.gz OQLNYUZSLKEVRW-OAHLLOKOSA-N 1 3 334.508 2.889 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423012385 476891289 /nfs/dbraw/zinc/89/12/89/476891289.db2.gz KPVXLWQSSVHHNV-BMGDILEWSA-N 1 3 336.426 2.743 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423012388 476891422 /nfs/dbraw/zinc/89/14/22/476891422.db2.gz KPVXLWQSSVHHNV-ZTFGCOKTSA-N 1 3 336.426 2.743 20 0 EFADHO CCOc1c(OC)cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784459 476891875 /nfs/dbraw/zinc/89/18/75/476891875.db2.gz RHUWTVFSOFDLMP-SJORKVTESA-N 1 3 348.487 2.924 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635370 476893861 /nfs/dbraw/zinc/89/38/61/476893861.db2.gz MPVQKRRPFQDFBF-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635370 476893869 /nfs/dbraw/zinc/89/38/69/476893869.db2.gz MPVQKRRPFQDFBF-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635370 476893875 /nfs/dbraw/zinc/89/38/75/476893875.db2.gz MPVQKRRPFQDFBF-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)(C)NCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401099180 476897080 /nfs/dbraw/zinc/89/70/80/476897080.db2.gz FPPUXGXSFWSYCH-BZUAXINKSA-N 1 3 339.524 3.000 20 0 EFADHO CN1CC[C@H](CN[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031288 476898637 /nfs/dbraw/zinc/89/86/37/476898637.db2.gz WZKPZYHLHQUKRP-VJUNAUMWSA-N 1 3 325.859 2.941 20 0 EFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423031288 476898642 /nfs/dbraw/zinc/89/86/42/476898642.db2.gz WZKPZYHLHQUKRP-VJUNAUMWSA-N 1 3 325.859 2.941 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000423033054 476899096 /nfs/dbraw/zinc/89/90/96/476899096.db2.gz WLSCPGIVMCTCGZ-PJODQICGSA-N 1 3 347.286 2.852 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423046552 476904310 /nfs/dbraw/zinc/90/43/10/476904310.db2.gz DUJQPABUNFLESW-TZMCWYRMSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423046552 476904314 /nfs/dbraw/zinc/90/43/14/476904314.db2.gz DUJQPABUNFLESW-TZMCWYRMSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423048382 476905966 /nfs/dbraw/zinc/90/59/66/476905966.db2.gz HUAOYVYLIGKZRV-GXTWGEPZSA-N 1 3 343.393 2.918 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423047129 476906024 /nfs/dbraw/zinc/90/60/24/476906024.db2.gz UXEGNYGOESQSCS-HZMBPMFUSA-N 1 3 330.259 2.816 20 0 EFADHO Cn1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423051878 476907327 /nfs/dbraw/zinc/90/73/27/476907327.db2.gz OMBQBECOMKSQMU-GUDVDZBRSA-N 1 3 345.462 2.607 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423056113 476908732 /nfs/dbraw/zinc/90/87/32/476908732.db2.gz XDGOMLAQEVESJF-YTQUADARSA-N 1 3 332.488 2.715 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000375597229 476909517 /nfs/dbraw/zinc/90/95/17/476909517.db2.gz JYZDMFVXOBWXAO-FQEVSTJZSA-N 1 3 349.494 2.695 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000375597229 476909525 /nfs/dbraw/zinc/90/95/25/476909525.db2.gz JYZDMFVXOBWXAO-FQEVSTJZSA-N 1 3 349.494 2.695 20 0 EFADHO Cc1nn(C(C)C)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375599208 476909653 /nfs/dbraw/zinc/90/96/53/476909653.db2.gz SNYSMWVVBAFAPB-UHFFFAOYSA-N 1 3 347.551 2.622 20 0 EFADHO CCN1CCC(N(C)C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000430759103 476912966 /nfs/dbraw/zinc/91/29/66/476912966.db2.gz WWGCXIUBFVCWMR-UHFFFAOYSA-N 1 3 342.487 2.546 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000430761893 476914007 /nfs/dbraw/zinc/91/40/07/476914007.db2.gz MLAUFIVPFORQQT-GPMSIDNRSA-N 1 3 331.504 2.764 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423070826 476914538 /nfs/dbraw/zinc/91/45/38/476914538.db2.gz DOLBFIROEYCESO-ZFCZOSEKSA-N 1 3 342.458 2.840 20 0 EFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000423074002 476916491 /nfs/dbraw/zinc/91/64/91/476916491.db2.gz KLXRMSXWEWYKPW-LCWAXJCOSA-N 1 3 332.463 2.802 20 0 EFADHO O[C@H]1CCC[C@@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000423075311 476916727 /nfs/dbraw/zinc/91/67/27/476916727.db2.gz OFNIAEAFLXJHIT-VYFYYAICSA-N 1 3 332.463 2.772 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423073534 476916747 /nfs/dbraw/zinc/91/67/47/476916747.db2.gz IZQIWZCUPVKLSJ-OTWHNJEPSA-N 1 3 333.545 2.854 20 0 EFADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCC[C@@H]3N)c2)n1 ZINC000423080153 476920676 /nfs/dbraw/zinc/92/06/76/476920676.db2.gz RVWLVCPKTCCGHO-KBPBESRZSA-N 1 3 331.441 2.566 20 0 EFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423083893 476922655 /nfs/dbraw/zinc/92/26/55/476922655.db2.gz ZKHNCFUAXBIJMX-GXTWGEPZSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423083893 476922660 /nfs/dbraw/zinc/92/26/60/476922660.db2.gz ZKHNCFUAXBIJMX-GXTWGEPZSA-N 1 3 331.382 2.847 20 0 EFADHO CC(C)[C@@H](COCc1ccccc1)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000446819674 476923509 /nfs/dbraw/zinc/92/35/09/476923509.db2.gz ZAXPVJHBXAUSAW-NHCUHLMSSA-N 1 3 348.531 2.910 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000446840041 476924473 /nfs/dbraw/zinc/92/44/73/476924473.db2.gz WPUFBNQNMHTFNF-WDSOQIARSA-N 1 3 327.476 2.790 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000446840041 476924480 /nfs/dbraw/zinc/92/44/80/476924480.db2.gz WPUFBNQNMHTFNF-WDSOQIARSA-N 1 3 327.476 2.790 20 0 EFADHO C(CN1CCC2(CCCCC2)CC1)N[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423096125 476925809 /nfs/dbraw/zinc/92/58/09/476925809.db2.gz GXHGTCWVYLWSMG-SLFFLAALSA-N 1 3 349.563 2.779 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091948 476925931 /nfs/dbraw/zinc/92/59/31/476925931.db2.gz ZSSROGBMAXLHTD-NOLJZWGESA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091948 476925936 /nfs/dbraw/zinc/92/59/36/476925936.db2.gz ZSSROGBMAXLHTD-NOLJZWGESA-N 1 3 338.293 2.745 20 0 EFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423108291 476930975 /nfs/dbraw/zinc/93/09/75/476930975.db2.gz QWAYMXUATVETQI-INDMIFKZSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304253 476931542 /nfs/dbraw/zinc/93/15/42/476931542.db2.gz CIFIBAWYEYBYEM-IHPCNDPISA-N 1 3 341.499 2.545 20 0 EFADHO FC(F)O[C@@H]1CCC[C@H]1N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423115066 476932934 /nfs/dbraw/zinc/93/29/34/476932934.db2.gz MQWNOJHRRCESQT-KKBFJZEXSA-N 1 3 338.398 2.992 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000430917608 476933627 /nfs/dbraw/zinc/93/36/27/476933627.db2.gz KOSGKHWKBAMPES-OLZOCXBDSA-N 1 3 339.430 2.543 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)c1ccccc1Cl ZINC000423118726 476933909 /nfs/dbraw/zinc/93/39/09/476933909.db2.gz CBHOMWMUEKCMDG-ZSZQSSIHSA-N 1 3 332.875 2.964 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423132349 476938509 /nfs/dbraw/zinc/93/85/09/476938509.db2.gz ULBYUAVEVAOIRM-TZMCWYRMSA-N 1 3 333.863 2.929 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415570438 476938797 /nfs/dbraw/zinc/93/87/97/476938797.db2.gz LZNNTJYSRMCGOY-GOSISDBHSA-N 1 3 344.503 2.644 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415570441 476939088 /nfs/dbraw/zinc/93/90/88/476939088.db2.gz LZNNTJYSRMCGOY-SFHVURJKSA-N 1 3 344.503 2.644 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130249 476939553 /nfs/dbraw/zinc/93/95/53/476939553.db2.gz GKBZPEAPENFJEW-HSALFYBXSA-N 1 3 329.488 2.534 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130252 476939640 /nfs/dbraw/zinc/93/96/40/476939640.db2.gz GKBZPEAPENFJEW-XUVXKRRUSA-N 1 3 329.488 2.534 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130302 476939824 /nfs/dbraw/zinc/93/98/24/476939824.db2.gz GPFBNMDEDUMSHA-PCCBWWKXSA-N 1 3 343.515 2.924 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000423139395 476943039 /nfs/dbraw/zinc/94/30/39/476943039.db2.gz ZSUWTCPYCNULKN-HNAYVOBHSA-N 1 3 335.451 2.587 20 0 EFADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423140705 476943133 /nfs/dbraw/zinc/94/31/33/476943133.db2.gz ZFFNZIJZIHIEAI-DJIMGWMZSA-N 1 3 338.879 2.638 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000423139393 476943165 /nfs/dbraw/zinc/94/31/65/476943165.db2.gz ZSUWTCPYCNULKN-BEFAXECRSA-N 1 3 335.451 2.587 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@@H]2CN)cc1OC ZINC000423148038 476943410 /nfs/dbraw/zinc/94/34/10/476943410.db2.gz FAYRQCRCZYDVBT-HZPDHXFCSA-N 1 3 336.476 2.752 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370704331 476943522 /nfs/dbraw/zinc/94/35/22/476943522.db2.gz YHZQGIFMAQRSEZ-UTKZUKDTSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000370704331 476943526 /nfs/dbraw/zinc/94/35/26/476943526.db2.gz YHZQGIFMAQRSEZ-UTKZUKDTSA-N 1 3 338.499 2.693 20 0 EFADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1Br ZINC000423158181 476949150 /nfs/dbraw/zinc/94/91/50/476949150.db2.gz CHXSAKHRBJRXEI-UXIGCNINSA-N 1 3 327.266 2.599 20 0 EFADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430957776 476948754 /nfs/dbraw/zinc/94/87/54/476948754.db2.gz UMBYIBWMTLRDJO-ZIAGYGMSSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000430954217 476949204 /nfs/dbraw/zinc/94/92/04/476949204.db2.gz IWVYZYLFXJHVOE-KRWDZBQOSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430962089 476950563 /nfs/dbraw/zinc/95/05/63/476950563.db2.gz PJDNWIHRYQTTLG-SMDDNHRTSA-N 1 3 329.366 2.703 20 0 EFADHO CCN(C(=O)CN1CCC([C@@H](C)[NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000430959520 476951480 /nfs/dbraw/zinc/95/14/80/476951480.db2.gz ZXHSGSXDOLRXPD-HUUCEWRRSA-N 1 3 335.467 2.794 20 0 EFADHO Cc1ccc(C[C@H](CO)CN[C@@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000423168521 476952452 /nfs/dbraw/zinc/95/24/52/476952452.db2.gz YGDXEICGYKQCHG-IPYPFGDCSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@@H](C)N)cc1Br ZINC000423168521 476952458 /nfs/dbraw/zinc/95/24/58/476952458.db2.gz YGDXEICGYKQCHG-IPYPFGDCSA-N 1 3 343.309 2.624 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000423172530 476952501 /nfs/dbraw/zinc/95/25/01/476952501.db2.gz UBMCBNAOLAOGGB-JKSUJKDBSA-N 1 3 344.908 2.883 20 0 EFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423168315 476952553 /nfs/dbraw/zinc/95/25/53/476952553.db2.gz UHIDJSTUHZSKKU-NOENWEJRSA-N 1 3 336.451 2.512 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000430965967 476953102 /nfs/dbraw/zinc/95/31/02/476953102.db2.gz MYWGVJJSNDTCSA-DNVCBOLYSA-N 1 3 329.488 2.582 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1CN ZINC000423174056 476953996 /nfs/dbraw/zinc/95/39/96/476953996.db2.gz BCZGYBAOLUSOFL-JSXRDJHFSA-N 1 3 345.531 2.631 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2cnccc2C(C)(C)C)CC[NH2+]CC1 ZINC000423173738 476954043 /nfs/dbraw/zinc/95/40/43/476954043.db2.gz ZWZUTESCMFBHQG-HNNXBMFYSA-N 1 3 347.503 2.790 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCCCCC3)CC2)CC1 ZINC000408517664 476959430 /nfs/dbraw/zinc/95/94/30/476959430.db2.gz LYPCGOPPIQFTRR-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000423195917 476960445 /nfs/dbraw/zinc/96/04/45/476960445.db2.gz YMHIMCRGHBESHJ-PBWTXFEYSA-N 1 3 334.508 2.881 20 0 EFADHO CC(C)Oc1ccc([C@H](C)NCCN2CC[NH2+]CC2)cc1Cl ZINC000423199228 476962371 /nfs/dbraw/zinc/96/23/71/476962371.db2.gz AYLYWIQNUBPDCX-AWEZNQCLSA-N 1 3 325.884 2.683 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415898216 476962343 /nfs/dbraw/zinc/96/23/43/476962343.db2.gz QRHLVSOZHYFWJM-UHFFFAOYSA-N 1 3 332.492 2.918 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)CC1 ZINC000415901935 476964237 /nfs/dbraw/zinc/96/42/37/476964237.db2.gz VGQARPCIHBISGI-QGZVFWFLSA-N 1 3 342.487 2.528 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431036827 476964798 /nfs/dbraw/zinc/96/47/98/476964798.db2.gz YMYRZFLQDXIEES-INIZCTEOSA-N 1 3 329.488 2.502 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000431034826 476965738 /nfs/dbraw/zinc/96/57/38/476965738.db2.gz AIIKJWHTJDVBJF-UHFFFAOYSA-N 1 3 341.499 2.562 20 0 EFADHO CCCN(CCC(=O)Nc1cc(F)cc(F)c1)C1CC[NH2+]CC1 ZINC000431072887 476971385 /nfs/dbraw/zinc/97/13/85/476971385.db2.gz GWCKOALGEOSSSS-UHFFFAOYSA-N 1 3 325.403 2.757 20 0 EFADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423239265 476971724 /nfs/dbraw/zinc/97/17/24/476971724.db2.gz JQXIDZNONBLBNX-YSTOQKLRSA-N 1 3 331.504 2.557 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000415928663 476972578 /nfs/dbraw/zinc/97/25/78/476972578.db2.gz YHOWJNCAQQHIAB-MRXNPFEDSA-N 1 3 330.476 2.746 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370764277 476973633 /nfs/dbraw/zinc/97/36/33/476973633.db2.gz WVFZUDQJTDCFKE-ZVDOUQERSA-N 1 3 341.499 2.629 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763075 476973788 /nfs/dbraw/zinc/97/37/88/476973788.db2.gz DOHSOFWDZPDGJM-GUDVDZBRSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H](CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000370765324 476975694 /nfs/dbraw/zinc/97/56/94/476975694.db2.gz CISZSFYAEINIJX-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO CN(CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccco1 ZINC000416004782 476987605 /nfs/dbraw/zinc/98/76/05/476987605.db2.gz HOMVWCRZNBMKPQ-UHFFFAOYSA-N 1 3 342.443 2.869 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423314336 476990123 /nfs/dbraw/zinc/99/01/23/476990123.db2.gz YESBFNFQXDBAKQ-NEPJUHHUSA-N 1 3 346.256 2.797 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H](C)CCN3)cc2)CC1 ZINC000423321182 476993300 /nfs/dbraw/zinc/99/33/00/476993300.db2.gz DZCGTMFBGHRDPB-YLJYHZDGSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1c([C@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000423328971 476996086 /nfs/dbraw/zinc/99/60/86/476996086.db2.gz MNVIRMBVLMGATP-HNNXBMFYSA-N 1 3 327.476 2.924 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423328520 476996362 /nfs/dbraw/zinc/99/63/62/476996362.db2.gz KRSULMMAASLXGG-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423328520 476996372 /nfs/dbraw/zinc/99/63/72/476996372.db2.gz KRSULMMAASLXGG-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000423333097 476998103 /nfs/dbraw/zinc/99/81/03/476998103.db2.gz DTARQWQPWJIEJH-HNAYVOBHSA-N 1 3 325.456 2.609 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423341275 476999122 /nfs/dbraw/zinc/99/91/22/476999122.db2.gz XZBAMGFNTPZNJR-KFKAGJAMSA-N 1 3 331.504 2.559 20 0 EFADHO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000423346539 477000887 /nfs/dbraw/zinc/00/08/87/477000887.db2.gz PYLGFXYWJSNSCH-GOSISDBHSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423342080 477001305 /nfs/dbraw/zinc/00/13/05/477001305.db2.gz UYGYSNPWNFHHSD-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423342080 477001310 /nfs/dbraw/zinc/00/13/10/477001310.db2.gz UYGYSNPWNFHHSD-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423346448 477001629 /nfs/dbraw/zinc/00/16/29/477001629.db2.gz PHAITYBGDLVXFP-QZTJIDSGSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000423351728 477002490 /nfs/dbraw/zinc/00/24/90/477002490.db2.gz IWVMGDBRDZBGQN-SJLPKXTDSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@@H](C)[NH3+] ZINC000423353825 477003380 /nfs/dbraw/zinc/00/33/80/477003380.db2.gz MMNGQKCAJOPKQW-MLGOLLRUSA-N 1 3 341.883 2.838 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000423367063 477007405 /nfs/dbraw/zinc/00/74/05/477007405.db2.gz YLATXQCGQCITSY-YTQUADARSA-N 1 3 331.504 2.868 20 0 EFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423371749 477008672 /nfs/dbraw/zinc/00/86/72/477008672.db2.gz ATWUEDWOJRMCPL-HUUCEWRRSA-N 1 3 333.373 2.703 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000423368651 477009245 /nfs/dbraw/zinc/00/92/45/477009245.db2.gz SDIFFPADRJQFGK-SFHVURJKSA-N 1 3 331.504 2.921 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000423368651 477009250 /nfs/dbraw/zinc/00/92/50/477009250.db2.gz SDIFFPADRJQFGK-SFHVURJKSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1cc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1F ZINC000423375203 477009729 /nfs/dbraw/zinc/00/97/29/477009729.db2.gz CYPUBMYYDCRLPQ-UKRRQHHQSA-N 1 3 347.400 2.929 20 0 EFADHO CCc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423375958 477010188 /nfs/dbraw/zinc/01/01/88/477010188.db2.gz DLKLFYFHWFIQHU-FZMZJTMJSA-N 1 3 335.439 2.797 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423375778 477010314 /nfs/dbraw/zinc/01/03/14/477010314.db2.gz XXRYRKXDIZFICH-NJAFHUGGSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380788 477012059 /nfs/dbraw/zinc/01/20/59/477012059.db2.gz OAHGVTNBNLRLPN-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380788 477012062 /nfs/dbraw/zinc/01/20/62/477012062.db2.gz OAHGVTNBNLRLPN-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423381412 477012693 /nfs/dbraw/zinc/01/26/93/477012693.db2.gz FNFZZBMJXJOSPN-UMGGQSCQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380790 477012865 /nfs/dbraw/zinc/01/28/65/477012865.db2.gz OAHGVTNBNLRLPN-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380790 477012868 /nfs/dbraw/zinc/01/28/68/477012868.db2.gz OAHGVTNBNLRLPN-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423381591 477013078 /nfs/dbraw/zinc/01/30/78/477013078.db2.gz NTXFFBOHOFXCRV-MDZRGWNJSA-N 1 3 329.488 2.716 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457426984 477014577 /nfs/dbraw/zinc/01/45/77/477014577.db2.gz GRKCOVCQFDYGCE-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580730 477016542 /nfs/dbraw/zinc/01/65/42/477016542.db2.gz RDSRMPSZWDQMTL-RBUKOAKNSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580730 477016548 /nfs/dbraw/zinc/01/65/48/477016548.db2.gz RDSRMPSZWDQMTL-RBUKOAKNSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580730 477016551 /nfs/dbraw/zinc/01/65/51/477016551.db2.gz RDSRMPSZWDQMTL-RBUKOAKNSA-N 1 3 339.568 2.835 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423401070 477019161 /nfs/dbraw/zinc/01/91/61/477019161.db2.gz GENXMVKNVGQVKV-WMZOPIPTSA-N 1 3 331.504 2.807 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423401070 477019167 /nfs/dbraw/zinc/01/91/67/477019167.db2.gz GENXMVKNVGQVKV-WMZOPIPTSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000447594590 477019549 /nfs/dbraw/zinc/01/95/49/477019549.db2.gz ZYCDQRKKEVWPPQ-WDSOQIARSA-N 1 3 345.531 2.690 20 0 EFADHO Cc1c([C@@H](C)NCCOCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000447593926 477019811 /nfs/dbraw/zinc/01/98/11/477019811.db2.gz VWPOAZYIYXXOOV-CQSZACIVSA-N 1 3 334.439 2.549 20 0 EFADHO Cc1nc(-c2cccnc2)sc1[C@@H](C)NCCOCC[NH+](C)C ZINC000447601392 477021169 /nfs/dbraw/zinc/02/11/69/477021169.db2.gz PQHZMNSDDLXWGE-CYBMUJFWSA-N 1 3 334.489 2.742 20 0 EFADHO N[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403254 477021301 /nfs/dbraw/zinc/02/13/01/477021301.db2.gz XGJKMTXRZXMMDE-TZIWHRDSSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403254 477021305 /nfs/dbraw/zinc/02/13/05/477021305.db2.gz XGJKMTXRZXMMDE-TZIWHRDSSA-N 1 3 341.499 2.629 20 0 EFADHO C[NH+](C)CCOCCN[C@@H]1CCc2c1cc(Br)cc2F ZINC000447602223 477021436 /nfs/dbraw/zinc/02/14/36/477021436.db2.gz RUOFHBZIUHZOLN-OAHLLOKOSA-N 1 3 345.256 2.743 20 0 EFADHO [NH3+]CC1(CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000423403916 477021614 /nfs/dbraw/zinc/02/16/14/477021614.db2.gz XYFTYDYNXTUWKD-OAQYLSRUSA-N 1 3 341.499 2.630 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000423408820 477022880 /nfs/dbraw/zinc/02/28/80/477022880.db2.gz PDIJYPXAELQNLD-QGZVFWFLSA-N 1 3 333.476 2.734 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423430149 477031604 /nfs/dbraw/zinc/03/16/04/477031604.db2.gz HYJFYCWGQHYPMX-WMZOPIPTSA-N 1 3 331.504 2.903 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423430149 477031611 /nfs/dbraw/zinc/03/16/11/477031611.db2.gz HYJFYCWGQHYPMX-WMZOPIPTSA-N 1 3 331.504 2.903 20 0 EFADHO CC[C@@H]([NH3+])CN[C@H](C)CCc1ccc(I)cc1 ZINC000423440713 477034598 /nfs/dbraw/zinc/03/45/98/477034598.db2.gz AWWPKLBMYRYXAK-BXUZGUMPSA-N 1 3 346.256 2.939 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000366501161 477042584 /nfs/dbraw/zinc/04/25/84/477042584.db2.gz RPDJKFPRAHUMRP-HOCLYGCPSA-N 1 3 343.487 2.796 20 0 EFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000423478004 477043132 /nfs/dbraw/zinc/04/31/32/477043132.db2.gz SWAJYVGRCWETPE-UZLBHIALSA-N 1 3 331.479 2.735 20 0 EFADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423489552 477045906 /nfs/dbraw/zinc/04/59/06/477045906.db2.gz GJGILNFVHGJPQZ-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423489552 477045915 /nfs/dbraw/zinc/04/59/15/477045915.db2.gz GJGILNFVHGJPQZ-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@H]1C ZINC000423498853 477049303 /nfs/dbraw/zinc/04/93/03/477049303.db2.gz BLDALTFJUFODIF-LZBKUMLDSA-N 1 3 330.472 2.700 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CNCCCO2)cc1F ZINC000423497737 477049958 /nfs/dbraw/zinc/04/99/58/477049958.db2.gz ZGDIYJQJGRPSRV-XYJFISCASA-N 1 3 336.451 2.829 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@H]2NC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000423497737 477049966 /nfs/dbraw/zinc/04/99/66/477049966.db2.gz ZGDIYJQJGRPSRV-XYJFISCASA-N 1 3 336.451 2.829 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@@H]1C ZINC000423498850 477050009 /nfs/dbraw/zinc/05/00/09/477050009.db2.gz BLDALTFJUFODIF-BHNDVYRESA-N 1 3 330.472 2.700 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172387 477054029 /nfs/dbraw/zinc/05/40/29/477054029.db2.gz WFLGTLYILKEUQJ-AZUAARDMSA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172387 477054032 /nfs/dbraw/zinc/05/40/32/477054032.db2.gz WFLGTLYILKEUQJ-AZUAARDMSA-N 1 3 343.515 2.870 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](N)c2ccccc2CC)[C@@H](C)C1 ZINC000423509952 477054274 /nfs/dbraw/zinc/05/42/74/477054274.db2.gz RSSZMMUHDAAUME-YYWHXJBOSA-N 1 3 347.547 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](N)c2ccccc2CC)[C@@H](C)C1 ZINC000423509952 477054281 /nfs/dbraw/zinc/05/42/81/477054281.db2.gz RSSZMMUHDAAUME-YYWHXJBOSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000416176144 477056442 /nfs/dbraw/zinc/05/64/42/477056442.db2.gz FSJJYZAOGWITCF-WOJBJXKFSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCC3)CC[C@@H]21 ZINC000366544781 477061309 /nfs/dbraw/zinc/06/13/09/477061309.db2.gz NQWJBBUYXJIDQU-SJORKVTESA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCC3)CC[C@@H]21 ZINC000366544781 477061313 /nfs/dbraw/zinc/06/13/13/477061313.db2.gz NQWJBBUYXJIDQU-SJORKVTESA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCO[C@@H]([C@@H](NCCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423538569 477067911 /nfs/dbraw/zinc/06/79/11/477067911.db2.gz NECBFPUZXFMTCI-MOPGFXCFSA-N 1 3 349.906 2.611 20 0 EFADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423544519 477068915 /nfs/dbraw/zinc/06/89/15/477068915.db2.gz WXEZMXGYHWSULA-SNVBAGLBSA-N 1 3 328.229 2.944 20 0 EFADHO CN(C)[C@H](CC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000416209015 477071468 /nfs/dbraw/zinc/07/14/68/477071468.db2.gz ZUCWWCILQSFMPU-GOSISDBHSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000416220590 477077164 /nfs/dbraw/zinc/07/71/64/477077164.db2.gz JUKKSOFGNQPAMK-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431777483 477094311 /nfs/dbraw/zinc/09/43/11/477094311.db2.gz BKBGKUSQSXTACY-PKOBYXMFSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431777483 477094317 /nfs/dbraw/zinc/09/43/17/477094317.db2.gz BKBGKUSQSXTACY-PKOBYXMFSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)C[NH+]1CCCCC1 ZINC000447954105 477101144 /nfs/dbraw/zinc/10/11/44/477101144.db2.gz KQEODMXELHVGOF-DLBZAZTESA-N 1 3 338.540 2.528 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000447968891 477105788 /nfs/dbraw/zinc/10/57/88/477105788.db2.gz SSBIDVIRFVMYCK-GOSISDBHSA-N 1 3 346.519 2.668 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C3CCCC3)CC[C@H]21 ZINC000431860121 477112014 /nfs/dbraw/zinc/11/20/14/477112014.db2.gz UEJFBJFKCFUJQR-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C3CCCC3)CC[C@H]21 ZINC000431860121 477112018 /nfs/dbraw/zinc/11/20/18/477112018.db2.gz UEJFBJFKCFUJQR-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431879631 477114497 /nfs/dbraw/zinc/11/44/97/477114497.db2.gz VTPCHBFIOSRBIU-SJLPKXTDSA-N 1 3 338.540 2.671 20 0 EFADHO C[NH+](C)[C@@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000431927581 477121218 /nfs/dbraw/zinc/12/12/18/477121218.db2.gz VGSCIJRPXAZZMX-IBGZPJMESA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366666652 477123919 /nfs/dbraw/zinc/12/39/19/477123919.db2.gz FDTLIBJZGPZXIX-YRISNDGFSA-N 1 3 341.499 2.718 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423737038 477127584 /nfs/dbraw/zinc/12/75/84/477127584.db2.gz CLRGHAIGVQIGOL-HXUWFJFHSA-N 1 3 343.515 2.543 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423746292 477129983 /nfs/dbraw/zinc/12/99/83/477129983.db2.gz NQPTYYNKILARPG-HXUWFJFHSA-N 1 3 345.531 2.789 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448101504 477130524 /nfs/dbraw/zinc/13/05/24/477130524.db2.gz CZZVKLAHYQAQSK-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448101504 477130532 /nfs/dbraw/zinc/13/05/32/477130532.db2.gz CZZVKLAHYQAQSK-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000431976682 477132805 /nfs/dbraw/zinc/13/28/05/477132805.db2.gz GHOQDOZVDLWMJI-XYJFISCASA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000423751005 477133775 /nfs/dbraw/zinc/13/37/75/477133775.db2.gz ULFNMPNVFIJEPS-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423766278 477138008 /nfs/dbraw/zinc/13/80/08/477138008.db2.gz COFHHUUKMSNTEX-PVAVHDDUSA-N 1 3 337.895 2.967 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423768160 477138567 /nfs/dbraw/zinc/13/85/67/477138567.db2.gz CSWHQANWIHVGQF-MQVJKMGUSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423770412 477139576 /nfs/dbraw/zinc/13/95/76/477139576.db2.gz DHIFTBPCUGDUOV-TWOQFEAHSA-N 1 3 337.467 2.957 20 0 EFADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1(C)C ZINC000423777398 477141148 /nfs/dbraw/zinc/14/11/48/477141148.db2.gz BYFBJYCXBUCBQB-APWZRJJASA-N 1 3 333.476 2.528 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423782224 477143481 /nfs/dbraw/zinc/14/34/81/477143481.db2.gz YPFHYYMCMAEBOH-YOEHRIQHSA-N 1 3 337.895 2.839 20 0 EFADHO N[C@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000423781643 477143519 /nfs/dbraw/zinc/14/35/19/477143519.db2.gz HXCAUMKUCYTQMM-LJQANCHMSA-N 1 3 338.455 2.504 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000423792200 477146680 /nfs/dbraw/zinc/14/66/80/477146680.db2.gz VTRZILOQDSRYDH-SFHVURJKSA-N 1 3 329.419 2.877 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCCC[C@H]1C ZINC000457705107 477153129 /nfs/dbraw/zinc/15/31/29/477153129.db2.gz KSENGLBSJZOQBQ-CVEARBPZSA-N 1 3 326.529 2.669 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453071204 477160550 /nfs/dbraw/zinc/16/05/50/477160550.db2.gz DEMVEKYOHFYCIU-VAMGGRTRSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453071204 477160556 /nfs/dbraw/zinc/16/05/56/477160556.db2.gz DEMVEKYOHFYCIU-VAMGGRTRSA-N 1 3 343.515 2.934 20 0 EFADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453092706 477167489 /nfs/dbraw/zinc/16/74/89/477167489.db2.gz NVTJTPVZANKCEQ-NJYVYQBISA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453092706 477167494 /nfs/dbraw/zinc/16/74/94/477167494.db2.gz NVTJTPVZANKCEQ-NJYVYQBISA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453092706 477167501 /nfs/dbraw/zinc/16/75/01/477167501.db2.gz NVTJTPVZANKCEQ-NJYVYQBISA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]1C[C@@H](NCCc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000453102259 477168995 /nfs/dbraw/zinc/16/89/95/477168995.db2.gz PIQLSQFXOYPOHB-CRAIPNDOSA-N 1 3 328.460 2.662 20 0 EFADHO CCOCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376097827 477173367 /nfs/dbraw/zinc/17/33/67/477173367.db2.gz ODLHKCRJIZJBDA-NHCUHLMSSA-N 1 3 346.515 2.762 20 0 EFADHO CCOCC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376097827 477173374 /nfs/dbraw/zinc/17/33/74/477173374.db2.gz ODLHKCRJIZJBDA-NHCUHLMSSA-N 1 3 346.515 2.762 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000457743798 477175668 /nfs/dbraw/zinc/17/56/68/477175668.db2.gz RBFGCGVJYUEOQB-MSOLQXFVSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000457743798 477175678 /nfs/dbraw/zinc/17/56/78/477175678.db2.gz RBFGCGVJYUEOQB-MSOLQXFVSA-N 1 3 338.540 2.765 20 0 EFADHO OCCO[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411275463 477178791 /nfs/dbraw/zinc/17/87/91/477178791.db2.gz FTKQGYVMKVRARL-HXUWFJFHSA-N 1 3 332.488 2.646 20 0 EFADHO OCCO[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411278613 477179208 /nfs/dbraw/zinc/17/92/08/477179208.db2.gz KCAMEXZYPAJZRC-FQEVSTJZSA-N 1 3 332.488 2.646 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000453150101 477181859 /nfs/dbraw/zinc/18/18/59/477181859.db2.gz ULMOIGOJHCYFIV-LJQANCHMSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncn1 ZINC000453158662 477182952 /nfs/dbraw/zinc/18/29/52/477182952.db2.gz BMYMQDFRQDGVPP-KRWDZBQOSA-N 1 3 340.471 2.845 20 0 EFADHO CC[C@@]1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCC[NH2+]1 ZINC000423853540 477185742 /nfs/dbraw/zinc/18/57/42/477185742.db2.gz VAEYXYIKEJAGAA-FQEVSTJZSA-N 1 3 344.503 2.688 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)OC ZINC000453198208 477190742 /nfs/dbraw/zinc/19/07/42/477190742.db2.gz PBQFFQZMLFYLNO-MTQWCTHYSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)OC ZINC000453198208 477190747 /nfs/dbraw/zinc/19/07/47/477190747.db2.gz PBQFFQZMLFYLNO-MTQWCTHYSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)CN1Cc1ccccc1 ZINC000366798368 477193056 /nfs/dbraw/zinc/19/30/56/477193056.db2.gz RXMQXMUMTHKZIV-QKNQBKEWSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376140483 477194275 /nfs/dbraw/zinc/19/42/75/477194275.db2.gz IMCMQPPGGSZMJN-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423899022 477207456 /nfs/dbraw/zinc/20/74/56/477207456.db2.gz ITYROHYWEAXLGL-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)C2(N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423899022 477207464 /nfs/dbraw/zinc/20/74/64/477207464.db2.gz ITYROHYWEAXLGL-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@@H+]1Cc1ccccc1 ZINC000423898984 477207548 /nfs/dbraw/zinc/20/75/48/477207548.db2.gz ISIDZOPQQLFRFO-JYBIWHBTSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@H+]1Cc1ccccc1 ZINC000423898984 477207553 /nfs/dbraw/zinc/20/75/53/477207553.db2.gz ISIDZOPQQLFRFO-JYBIWHBTSA-N 1 3 343.515 2.791 20 0 EFADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906271 477209715 /nfs/dbraw/zinc/20/97/15/477209715.db2.gz PWZFKONCWXXWMI-RTBURBONSA-N 1 3 341.499 2.771 20 0 EFADHO NC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906271 477209721 /nfs/dbraw/zinc/20/97/21/477209721.db2.gz PWZFKONCWXXWMI-RTBURBONSA-N 1 3 341.499 2.771 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910079 477214446 /nfs/dbraw/zinc/21/44/46/477214446.db2.gz UOLHKQNZGOOEAC-WDSOQIARSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910079 477214451 /nfs/dbraw/zinc/21/44/51/477214451.db2.gz UOLHKQNZGOOEAC-WDSOQIARSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423915188 477215023 /nfs/dbraw/zinc/21/50/23/477215023.db2.gz YFRUNDBMJZCALL-KBAYOESNSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000423915188 477215030 /nfs/dbraw/zinc/21/50/30/477215030.db2.gz YFRUNDBMJZCALL-KBAYOESNSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H](NCCCC[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453393729 477221298 /nfs/dbraw/zinc/22/12/98/477221298.db2.gz GANHDYLSYSGIKH-CYBMUJFWSA-N 1 3 342.480 2.754 20 0 EFADHO C[C@@H](NCCCC[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453393729 477221301 /nfs/dbraw/zinc/22/13/01/477221301.db2.gz GANHDYLSYSGIKH-CYBMUJFWSA-N 1 3 342.480 2.754 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCOCCc1ccccc1 ZINC000371294822 477223490 /nfs/dbraw/zinc/22/34/90/477223490.db2.gz NGCLAPVYZRHFNQ-HKBOAZHASA-N 1 3 346.515 2.819 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864809 477228599 /nfs/dbraw/zinc/22/85/99/477228599.db2.gz LPYOCEJJZSYAPJ-SFHVURJKSA-N 1 3 329.488 2.624 20 0 EFADHO CCc1ccc([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411436283 477235101 /nfs/dbraw/zinc/23/51/01/477235101.db2.gz GXYFJHSPANLINF-INIZCTEOSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000423965731 477236492 /nfs/dbraw/zinc/23/64/92/477236492.db2.gz YJLVHDMDALMZHN-OXQOHEQNSA-N 1 3 343.515 2.525 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000411456572 477242534 /nfs/dbraw/zinc/24/25/34/477242534.db2.gz GOOKZUJMFDZRLM-HXUWFJFHSA-N 1 3 331.504 2.882 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1)C1CC1 ZINC000423977996 477243075 /nfs/dbraw/zinc/24/30/75/477243075.db2.gz XYJNTYVFIDOBPK-FOIQADDNSA-N 1 3 329.488 2.728 20 0 EFADHO CCc1ccc(C(C)(C)NCC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411472721 477247196 /nfs/dbraw/zinc/24/71/96/477247196.db2.gz NLUCRWOXPHTNNY-UHFFFAOYSA-N 1 3 331.504 2.674 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000457939854 477265671 /nfs/dbraw/zinc/26/56/71/477265671.db2.gz FSJMUTWVBGCPCM-LMMKCTJWSA-N 1 3 338.540 2.621 20 0 EFADHO CCO[C@H]1COCC[C@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411553157 477273654 /nfs/dbraw/zinc/27/36/54/477273654.db2.gz CDSNDQCATKEMRJ-UXHICEINSA-N 1 3 332.488 2.956 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000411608286 477292186 /nfs/dbraw/zinc/29/21/86/477292186.db2.gz KUZFCSZAIPDROT-QUCCMNQESA-N 1 3 343.515 2.588 20 0 EFADHO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411624385 477296794 /nfs/dbraw/zinc/29/67/94/477296794.db2.gz XJJPSCHJNPBKNX-ZCNNSNEGSA-N 1 3 341.499 2.758 20 0 EFADHO C[C@H]1C[N@H+](CCc2ccccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000367028709 477303950 /nfs/dbraw/zinc/30/39/50/477303950.db2.gz KAOWOXFPKQPTKY-LPHOPBHVSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@H]1C[N@@H+](CCc2ccccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000367028709 477303957 /nfs/dbraw/zinc/30/39/57/477303957.db2.gz KAOWOXFPKQPTKY-LPHOPBHVSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000448837056 477309587 /nfs/dbraw/zinc/30/95/87/477309587.db2.gz ROKPSSHAPVDCLT-ZACQAIPSSA-N 1 3 335.536 2.734 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783895 477309704 /nfs/dbraw/zinc/30/97/04/477309704.db2.gz ICMGIEVPZSSSRT-IPMKNSEASA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416785556 477309713 /nfs/dbraw/zinc/30/97/13/477309713.db2.gz LCXIICHHOJUISZ-SJLPKXTDSA-N 1 3 332.492 2.640 20 0 EFADHO [NH3+][C@H](CCC(=O)NCc1ccc2c(c1)CNC2)CC1CCCCC1 ZINC000424149571 477309982 /nfs/dbraw/zinc/30/99/82/477309982.db2.gz BWVSAFWXMAYGCO-LJQANCHMSA-N 1 3 329.488 2.984 20 0 EFADHO [NH3+]C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000416789454 477311133 /nfs/dbraw/zinc/31/11/33/477311133.db2.gz SFYAIRGDLKDUIJ-OALUTQOASA-N 1 3 344.503 2.640 20 0 EFADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@H]2C)ccc1OCC[NH+](C)C ZINC000458186950 477311645 /nfs/dbraw/zinc/31/16/45/477311645.db2.gz APOISRDTKICJOD-HZPDHXFCSA-N 1 3 333.476 2.747 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000433172252 477315176 /nfs/dbraw/zinc/31/51/76/477315176.db2.gz HAXMMNXLJAHQFF-INIZCTEOSA-N 1 3 335.517 2.713 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1ccsc1)C(C)C ZINC000458194453 477315304 /nfs/dbraw/zinc/31/53/04/477315304.db2.gz ANMPFGVRHNKDFY-UHFFFAOYSA-N 1 3 340.537 2.552 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1ccsc1)C(C)C ZINC000458194453 477315313 /nfs/dbraw/zinc/31/53/13/477315313.db2.gz ANMPFGVRHNKDFY-UHFFFAOYSA-N 1 3 340.537 2.552 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367057843 477320614 /nfs/dbraw/zinc/32/06/14/477320614.db2.gz NOTRBOAXNNCVQQ-UYAOXDASSA-N 1 3 330.520 2.725 20 0 EFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433510001 477323968 /nfs/dbraw/zinc/32/39/68/477323968.db2.gz LSCDBHGBMRPJDJ-SNRMKQJTSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433510001 477323978 /nfs/dbraw/zinc/32/39/78/477323978.db2.gz LSCDBHGBMRPJDJ-SNRMKQJTSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@@H](CN1CCOCC1)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411678589 477324929 /nfs/dbraw/zinc/32/49/29/477324929.db2.gz BPEPXYACQWFOFB-IBGZPJMESA-N 1 3 345.531 2.825 20 0 EFADHO COC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411683530 477325586 /nfs/dbraw/zinc/32/55/86/477325586.db2.gz ZKJITEFCAPRTJH-PMACEKPBSA-N 1 3 332.488 2.956 20 0 EFADHO CN1CCO[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411690702 477330315 /nfs/dbraw/zinc/33/03/15/477330315.db2.gz BJWFZLRNVPHNOL-SFTDATJTSA-N 1 3 343.515 2.577 20 0 EFADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc(CN2CCCCC2)c1 ZINC000411691810 477330379 /nfs/dbraw/zinc/33/03/79/477330379.db2.gz IQIJQBSAPVAFDZ-QGLKVJOYSA-N 1 3 326.484 2.874 20 0 EFADHO O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccc(CN2CCCCC2)c1 ZINC000411691810 477330384 /nfs/dbraw/zinc/33/03/84/477330384.db2.gz IQIJQBSAPVAFDZ-QGLKVJOYSA-N 1 3 326.484 2.874 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000416838416 477330880 /nfs/dbraw/zinc/33/08/80/477330880.db2.gz JDJDAQMILPAIHZ-QXAKKESOSA-N 1 3 346.519 2.981 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416837570 477331018 /nfs/dbraw/zinc/33/10/18/477331018.db2.gz IAYNOJWKHRFVBE-IEBWSBKVSA-N 1 3 346.519 2.541 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416839497 477331501 /nfs/dbraw/zinc/33/15/01/477331501.db2.gz KBQATQQYVYWGQX-QXAKKESOSA-N 1 3 346.519 2.886 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416840816 477332259 /nfs/dbraw/zinc/33/22/59/477332259.db2.gz LINBCQXNPQTLNL-CQSZACIVSA-N 1 3 338.521 2.511 20 0 EFADHO CN1CCO[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411697241 477333371 /nfs/dbraw/zinc/33/33/71/477333371.db2.gz KMICQPANJYOHRS-SFTDATJTSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1CC2(CN1C(=O)c1cccc(CN3CCCC3)c1)CC[NH2+]CC2 ZINC000424236824 477337668 /nfs/dbraw/zinc/33/76/68/477337668.db2.gz LRGGDKGZMUMXGT-KRWDZBQOSA-N 1 3 341.499 2.887 20 0 EFADHO CCCCNC(=O)CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000411720685 477344410 /nfs/dbraw/zinc/34/44/10/477344410.db2.gz NKIMGLLBFLJLLE-UHFFFAOYSA-N 1 3 340.471 2.663 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416874770 477348404 /nfs/dbraw/zinc/34/84/04/477348404.db2.gz PSMRXPPJMXXHJK-LJQANCHMSA-N 1 3 346.519 2.670 20 0 EFADHO C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000416882964 477351772 /nfs/dbraw/zinc/35/17/72/477351772.db2.gz ATTLKEZMYPMHCV-IRXDYDNUSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]1[C@H](C)NCCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416884855 477353633 /nfs/dbraw/zinc/35/36/33/477353633.db2.gz DOOZVUHVMSYHSJ-DLBZAZTESA-N 1 3 344.503 2.564 20 0 EFADHO CCCCNC(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696958 477353782 /nfs/dbraw/zinc/35/37/82/477353782.db2.gz WGKNOOLGIVXVPO-KRWDZBQOSA-N 1 3 349.544 2.999 20 0 EFADHO Cc1ccc([C@@H](C)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424286131 477356537 /nfs/dbraw/zinc/35/65/37/477356537.db2.gz HAEHOMVGRBOFGH-ZWKOTPCHSA-N 1 3 343.515 2.945 20 0 EFADHO Cc1ccccc1C(C)(C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411765390 477358667 /nfs/dbraw/zinc/35/86/67/477358667.db2.gz BUTVRFYIMDFZKK-UHFFFAOYSA-N 1 3 331.504 2.809 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424294354 477360448 /nfs/dbraw/zinc/36/04/48/477360448.db2.gz QATRQFDBIHCBLS-IRXDYDNUSA-N 1 3 343.515 2.890 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](CN)c2ccc(F)cc2)C1 ZINC000424305287 477364902 /nfs/dbraw/zinc/36/49/02/477364902.db2.gz RZVKASOPBMLFLB-FUHWJXTLSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](CN)c2ccc(F)cc2)C1 ZINC000424305287 477364910 /nfs/dbraw/zinc/36/49/10/477364910.db2.gz RZVKASOPBMLFLB-FUHWJXTLSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@@H]1CCCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424305287 477364916 /nfs/dbraw/zinc/36/49/16/477364916.db2.gz RZVKASOPBMLFLB-FUHWJXTLSA-N 1 3 330.451 2.964 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1)C1CC1 ZINC000435753303 477365634 /nfs/dbraw/zinc/36/56/34/477365634.db2.gz QIYWBYMDMCPQQQ-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000458371740 477376640 /nfs/dbraw/zinc/37/66/40/477376640.db2.gz HIOJSZHOVDOWEQ-QGZVFWFLSA-N 1 3 348.535 2.927 20 0 EFADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424370398 477381036 /nfs/dbraw/zinc/38/10/36/477381036.db2.gz DTEPZEGBNUEBFU-AQNXPRMDSA-N 1 3 343.515 2.636 20 0 EFADHO COc1cc2c(c(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000424388571 477387289 /nfs/dbraw/zinc/38/72/89/477387289.db2.gz ZCVSZVJMWVUMDZ-LSDHHAIUSA-N 1 3 330.472 2.983 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201715 477389801 /nfs/dbraw/zinc/38/98/01/477389801.db2.gz UZQTVXAHXDIYTH-ADKAHSJRSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000376553266 477398214 /nfs/dbraw/zinc/39/82/14/477398214.db2.gz MLLMEHFWHQGCBN-QUCCMNQESA-N 1 3 330.520 2.881 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1 ZINC000376553266 477398219 /nfs/dbraw/zinc/39/82/19/477398219.db2.gz MLLMEHFWHQGCBN-QUCCMNQESA-N 1 3 330.520 2.881 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000424430381 477403417 /nfs/dbraw/zinc/40/34/17/477403417.db2.gz BRGWKULXJSIDMO-INIZCTEOSA-N 1 3 332.492 2.943 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000424430381 477403423 /nfs/dbraw/zinc/40/34/23/477403423.db2.gz BRGWKULXJSIDMO-INIZCTEOSA-N 1 3 332.492 2.943 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000416980459 477403278 /nfs/dbraw/zinc/40/32/78/477403278.db2.gz UIAONCOLAZUSQO-KRWDZBQOSA-N 1 3 346.519 2.776 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014066 477404446 /nfs/dbraw/zinc/40/44/46/477404446.db2.gz WEIUECRJOSONAZ-RBUKOAKNSA-N 1 3 332.488 2.591 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000424470898 477417423 /nfs/dbraw/zinc/41/74/23/477417423.db2.gz BWOLDOJBOJUBLE-DZOHQFGASA-N 1 3 332.492 2.555 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccsc1 ZINC000417003305 477417586 /nfs/dbraw/zinc/41/75/86/477417586.db2.gz HAXOQGVMFNSIOP-HZPDHXFCSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccsc1 ZINC000417003431 477417731 /nfs/dbraw/zinc/41/77/31/477417731.db2.gz HLNHBWRYFIUVIT-OAHLLOKOSA-N 1 3 340.537 2.948 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCNC(C)(C)C1)c1ccsc1 ZINC000417010979 477420907 /nfs/dbraw/zinc/42/09/07/477420907.db2.gz QWYUFFJURIPPCD-HNNXBMFYSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccsc1 ZINC000417012127 477422132 /nfs/dbraw/zinc/42/21/32/477422132.db2.gz VTZUBAUCOARLPS-SQWLQELKSA-N 1 3 338.521 2.523 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@H]1C)c1ccsc1 ZINC000417012127 477422139 /nfs/dbraw/zinc/42/21/39/477422139.db2.gz VTZUBAUCOARLPS-SQWLQELKSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1ccsc1 ZINC000417012127 477422144 /nfs/dbraw/zinc/42/21/44/477422144.db2.gz VTZUBAUCOARLPS-SQWLQELKSA-N 1 3 338.521 2.523 20 0 EFADHO CCCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417014400 477423555 /nfs/dbraw/zinc/42/35/55/477423555.db2.gz DFIPYYGTAWIIPW-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cccc(S(C)(=O)=O)c1 ZINC000449081407 477426988 /nfs/dbraw/zinc/42/69/88/477426988.db2.gz FBFAMUJANVZIDV-INIZCTEOSA-N 1 3 338.517 2.834 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cccc(S(C)(=O)=O)c1 ZINC000449081407 477426997 /nfs/dbraw/zinc/42/69/97/477426997.db2.gz FBFAMUJANVZIDV-INIZCTEOSA-N 1 3 338.517 2.834 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000449088521 477432857 /nfs/dbraw/zinc/43/28/57/477432857.db2.gz HVQWLAFZASKHPK-DYXWJJEUSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417031992 477432887 /nfs/dbraw/zinc/43/28/87/477432887.db2.gz QLYZEMRKVFFDHD-WMZOPIPTSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417033133 477433397 /nfs/dbraw/zinc/43/33/97/477433397.db2.gz RKFYCFCCHBNHJT-AEFFLSMTSA-N 1 3 332.492 2.640 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417043655 477439031 /nfs/dbraw/zinc/43/90/31/477439031.db2.gz XJEFBEAGIDWJEP-OALUTQOASA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2C2CCCC2)C[C@@H](C)O1 ZINC000449105542 477441176 /nfs/dbraw/zinc/44/11/76/477441176.db2.gz YTPNVMFILRZVSG-IAGOWNOFSA-N 1 3 334.508 2.977 20 0 EFADHO CC[N@H+](CCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449112788 477443725 /nfs/dbraw/zinc/44/37/25/477443725.db2.gz SQLUUIRZUYRFHE-HNNXBMFYSA-N 1 3 326.506 2.514 20 0 EFADHO CC[N@@H+](CCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449112788 477443727 /nfs/dbraw/zinc/44/37/27/477443727.db2.gz SQLUUIRZUYRFHE-HNNXBMFYSA-N 1 3 326.506 2.514 20 0 EFADHO Fc1cccc2[nH]c(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc21 ZINC000436252945 477449914 /nfs/dbraw/zinc/44/99/14/477449914.db2.gz KQDWLNZTJZRNDB-AWEZNQCLSA-N 1 3 331.435 2.898 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)C1 ZINC000458497788 477452371 /nfs/dbraw/zinc/45/23/71/477452371.db2.gz JJOZFEZTNCYOIO-HXUWFJFHSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000458507329 477456238 /nfs/dbraw/zinc/45/62/38/477456238.db2.gz OAGYQBYHDUSJOO-QGZVFWFLSA-N 1 3 326.529 2.619 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000436306771 477458915 /nfs/dbraw/zinc/45/89/15/477458915.db2.gz IQKFCPNTUUIOIO-XAUMDUMWSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449166813 477466583 /nfs/dbraw/zinc/46/65/83/477466583.db2.gz GHNIVHOLILRXGY-KRWDZBQOSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449166813 477466592 /nfs/dbraw/zinc/46/65/92/477466592.db2.gz GHNIVHOLILRXGY-KRWDZBQOSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172466 477469434 /nfs/dbraw/zinc/46/94/34/477469434.db2.gz MGSNVJXMVCDKGJ-HYVNUMGLSA-N 1 3 338.517 2.656 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172466 477469436 /nfs/dbraw/zinc/46/94/36/477469436.db2.gz MGSNVJXMVCDKGJ-HYVNUMGLSA-N 1 3 338.517 2.656 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172467 477469452 /nfs/dbraw/zinc/46/94/52/477469452.db2.gz MGSNVJXMVCDKGJ-OIISXLGYSA-N 1 3 338.517 2.656 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172467 477469454 /nfs/dbraw/zinc/46/94/54/477469454.db2.gz MGSNVJXMVCDKGJ-OIISXLGYSA-N 1 3 338.517 2.656 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000418346856 477470334 /nfs/dbraw/zinc/47/03/34/477470334.db2.gz IBZAQAQSURNCJV-FHLIZLRMSA-N 1 3 332.492 2.579 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418372093 477472350 /nfs/dbraw/zinc/47/23/50/477472350.db2.gz SNCRSWWTBDZXCB-YQVWRLOYSA-N 1 3 346.519 2.536 20 0 EFADHO CSCC[C@H](CO)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449182599 477474147 /nfs/dbraw/zinc/47/41/47/477474147.db2.gz BRHQZGHCCDEXKZ-QFBILLFUSA-N 1 3 336.545 2.786 20 0 EFADHO CCn1ncnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000367373757 477478396 /nfs/dbraw/zinc/47/83/96/477478396.db2.gz DBZRQWJCNVQVGF-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CCn1ncnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000367373757 477478403 /nfs/dbraw/zinc/47/84/03/477478403.db2.gz DBZRQWJCNVQVGF-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CC(C)COc1ccccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000449225196 477496281 /nfs/dbraw/zinc/49/62/81/477496281.db2.gz SLLQDUPNZYFLTQ-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO COc1cc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413066517 477496689 /nfs/dbraw/zinc/49/66/89/477496689.db2.gz VYEBMXOLMQUSGB-UONOGXRCSA-N 1 3 327.428 2.713 20 0 EFADHO COc1cc2nccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413066517 477496695 /nfs/dbraw/zinc/49/66/95/477496695.db2.gz VYEBMXOLMQUSGB-UONOGXRCSA-N 1 3 327.428 2.713 20 0 EFADHO CN1CCN(CC[NH2+]C2CCC(OC3CCCC3)CC2)CC1(C)C ZINC000449301814 477533864 /nfs/dbraw/zinc/53/38/64/477533864.db2.gz IFAXLODHYODDSL-UHFFFAOYSA-N 1 3 337.552 2.872 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3cccc4ccoc43)CC2)CC1 ZINC000449325043 477547803 /nfs/dbraw/zinc/54/78/03/477547803.db2.gz JJCUWVGAIARKCT-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339738 477553630 /nfs/dbraw/zinc/55/36/30/477553630.db2.gz VABXCQNEPYUSSL-CVEARBPZSA-N 1 3 340.533 2.904 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339738 477553636 /nfs/dbraw/zinc/55/36/36/477553636.db2.gz VABXCQNEPYUSSL-CVEARBPZSA-N 1 3 340.533 2.904 20 0 EFADHO COc1cc2nccc(N3C[C@@H](SC)[C@H]([NH+](C)C)C3)c2cc1OC ZINC000413201209 477566903 /nfs/dbraw/zinc/56/69/03/477566903.db2.gz FSXOGMQWAVRLIF-CRAIPNDOSA-N 1 3 347.484 2.734 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449851469 477574568 /nfs/dbraw/zinc/57/45/68/477574568.db2.gz VRSKWWTZIYXQNB-LPHOPBHVSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449851469 477574579 /nfs/dbraw/zinc/57/45/79/477574579.db2.gz VRSKWWTZIYXQNB-LPHOPBHVSA-N 1 3 333.520 2.917 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000458755683 477577059 /nfs/dbraw/zinc/57/70/59/477577059.db2.gz DISFDJFAQRTSKK-NVXWUHKLSA-N 1 3 334.508 2.626 20 0 EFADHO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000458777492 477589323 /nfs/dbraw/zinc/58/93/23/477589323.db2.gz QLBGYIRMKSTTIQ-FUHWJXTLSA-N 1 3 346.519 2.851 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367596541 477590709 /nfs/dbraw/zinc/59/07/09/477590709.db2.gz PUXANDRQFPSIOB-MJGOQNOKSA-N 1 3 347.551 2.894 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000458782073 477594607 /nfs/dbraw/zinc/59/46/07/477594607.db2.gz WMYXVYUTOUKKSH-UCHQMPSGSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000458782073 477594613 /nfs/dbraw/zinc/59/46/13/477594613.db2.gz WMYXVYUTOUKKSH-UCHQMPSGSA-N 1 3 348.491 2.633 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000458788402 477597140 /nfs/dbraw/zinc/59/71/40/477597140.db2.gz YCRRMBZFLMYPSX-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@H](c1ccccc1)N(C)C ZINC000458788402 477597146 /nfs/dbraw/zinc/59/71/46/477597146.db2.gz YCRRMBZFLMYPSX-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458814405 477609618 /nfs/dbraw/zinc/60/96/18/477609618.db2.gz QFMSGHSSXUWZSO-HNNXBMFYSA-N 1 3 340.537 2.550 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458814405 477609625 /nfs/dbraw/zinc/60/96/25/477609625.db2.gz QFMSGHSSXUWZSO-HNNXBMFYSA-N 1 3 340.537 2.550 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000455431708 477629498 /nfs/dbraw/zinc/62/94/98/477629498.db2.gz LYOCLRFIRREBHS-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000455431708 477629505 /nfs/dbraw/zinc/62/95/05/477629505.db2.gz LYOCLRFIRREBHS-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000455431709 477629627 /nfs/dbraw/zinc/62/96/27/477629627.db2.gz LYOCLRFIRREBHS-ZIFCJYIRSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000455431709 477629634 /nfs/dbraw/zinc/62/96/34/477629634.db2.gz LYOCLRFIRREBHS-ZIFCJYIRSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450637871 477663316 /nfs/dbraw/zinc/66/33/16/477663316.db2.gz BFLPIHZKWSZHQP-APWZRJJASA-N 1 3 335.923 2.840 20 0 EFADHO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296341 477670255 /nfs/dbraw/zinc/67/02/55/477670255.db2.gz DJJWDFHTBVOVIX-ZCNNSNEGSA-N 1 3 340.467 2.763 20 0 EFADHO COc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296341 477670263 /nfs/dbraw/zinc/67/02/63/477670263.db2.gz DJJWDFHTBVOVIX-ZCNNSNEGSA-N 1 3 340.467 2.763 20 0 EFADHO Cc1cccc(C(=O)N2CCCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420298326 477672201 /nfs/dbraw/zinc/67/22/01/477672201.db2.gz DXRSWKXAKFBJQX-SFHVURJKSA-N 1 3 329.488 2.533 20 0 EFADHO Cc1csc2nc(C)nc(N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c12 ZINC000372178123 477679352 /nfs/dbraw/zinc/67/93/52/477679352.db2.gz HOZQHHMACBNHKF-CQSZACIVSA-N 1 3 345.516 2.889 20 0 EFADHO c1ccc2sc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420309892 477681582 /nfs/dbraw/zinc/68/15/82/477681582.db2.gz UHKKVHSBOZTNNY-OAHLLOKOSA-N 1 3 330.501 2.808 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000420313340 477683625 /nfs/dbraw/zinc/68/36/25/477683625.db2.gz IXCBUHUVDKMJNU-ROUUACIJSA-N 1 3 342.487 2.834 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000420313340 477683630 /nfs/dbraw/zinc/68/36/30/477683630.db2.gz IXCBUHUVDKMJNU-ROUUACIJSA-N 1 3 342.487 2.834 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)NC(C)(C)C[NH+](C)C)CCC1 ZINC000458981346 477686281 /nfs/dbraw/zinc/68/62/81/477686281.db2.gz UCKSUNIYTCDLTM-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO COc1ccc(-c2noc([C@@H](C)N3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000420317734 477687369 /nfs/dbraw/zinc/68/73/69/477687369.db2.gz ZVXHYCWKUKFHQR-CQSZACIVSA-N 1 3 342.443 2.882 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317268 477687456 /nfs/dbraw/zinc/68/74/56/477687456.db2.gz MTDRTPOVXPYFSK-IEBWSBKVSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317268 477687460 /nfs/dbraw/zinc/68/74/60/477687460.db2.gz MTDRTPOVXPYFSK-IEBWSBKVSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317268 477687466 /nfs/dbraw/zinc/68/74/66/477687466.db2.gz MTDRTPOVXPYFSK-IEBWSBKVSA-N 1 3 325.456 2.924 20 0 EFADHO CC[C@@H](C)N(CC[C@@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420317121 477687541 /nfs/dbraw/zinc/68/75/41/477687541.db2.gz NFPDDMFHIYABNL-CABCVRRESA-N 1 3 328.460 2.936 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317263 477688336 /nfs/dbraw/zinc/68/83/36/477688336.db2.gz MTDRTPOVXPYFSK-HKUYNNGSSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317263 477688345 /nfs/dbraw/zinc/68/83/45/477688345.db2.gz MTDRTPOVXPYFSK-HKUYNNGSSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317263 477688353 /nfs/dbraw/zinc/68/83/53/477688353.db2.gz MTDRTPOVXPYFSK-HKUYNNGSSA-N 1 3 325.456 2.924 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320710 477689988 /nfs/dbraw/zinc/68/99/88/477689988.db2.gz BPJUTJOQUFZMOK-NLWGTHIKSA-N 1 3 343.515 2.663 20 0 EFADHO [NH3+]C[C@H]1CN(CCOc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000420323587 477691921 /nfs/dbraw/zinc/69/19/21/477691921.db2.gz GEMGIFQJACRAEU-ZDUSSCGKSA-N 1 3 342.842 2.545 20 0 EFADHO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420324046 477694999 /nfs/dbraw/zinc/69/49/99/477694999.db2.gz AOJMNLYVYSRVPM-KFWWJZLASA-N 1 3 335.879 2.907 20 0 EFADHO CCN(Cc1ccc2c(c1)OCO2)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420326429 477696307 /nfs/dbraw/zinc/69/63/07/477696307.db2.gz XKUXRIBSRUOXHR-QGZVFWFLSA-N 1 3 342.439 2.988 20 0 EFADHO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420326429 477696312 /nfs/dbraw/zinc/69/63/12/477696312.db2.gz XKUXRIBSRUOXHR-QGZVFWFLSA-N 1 3 342.439 2.988 20 0 EFADHO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420326429 477696317 /nfs/dbraw/zinc/69/63/17/477696317.db2.gz XKUXRIBSRUOXHR-QGZVFWFLSA-N 1 3 342.439 2.988 20 0 EFADHO CCN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)[C@H](C)c1ccc(F)cc1 ZINC000420327664 477696644 /nfs/dbraw/zinc/69/66/44/477696644.db2.gz DLXVXWUPYAZDJX-NXHRZFHOSA-N 1 3 347.478 2.667 20 0 EFADHO CCCOc1ccc(OCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420326336 477696901 /nfs/dbraw/zinc/69/69/01/477696901.db2.gz JUGABDQXQDBJPO-KRWDZBQOSA-N 1 3 348.487 2.542 20 0 EFADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1 ZINC000420330303 477699840 /nfs/dbraw/zinc/69/98/40/477699840.db2.gz AXESGAXHYJWHSO-RTBURBONSA-N 1 3 327.472 2.646 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333585 477704223 /nfs/dbraw/zinc/70/42/23/477704223.db2.gz FJQYEZRWMSOOPP-FXAWDEMLSA-N 1 3 343.515 2.506 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334428 477704311 /nfs/dbraw/zinc/70/43/11/477704311.db2.gz GIGDDJASQZZGPV-TXPKVOOTSA-N 1 3 345.487 2.734 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450750956 477705175 /nfs/dbraw/zinc/70/51/75/477705175.db2.gz CEWWJTQEWZLLMY-ZFMNYDKASA-N 1 3 348.531 2.878 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450750956 477705181 /nfs/dbraw/zinc/70/51/81/477705181.db2.gz CEWWJTQEWZLLMY-ZFMNYDKASA-N 1 3 348.531 2.878 20 0 EFADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335887 477706301 /nfs/dbraw/zinc/70/63/01/477706301.db2.gz HZMORMNCRVFAFY-PVAVHDDUSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420335408 477706532 /nfs/dbraw/zinc/70/65/32/477706532.db2.gz HHUHCZBEUKBQQT-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420335404 477706657 /nfs/dbraw/zinc/70/66/57/477706657.db2.gz HHUHCZBEUKBQQT-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000420337386 477707113 /nfs/dbraw/zinc/70/71/13/477707113.db2.gz JYOXQNQWDWWTJQ-HRCADAONSA-N 1 3 333.451 2.783 20 0 EFADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340027 477709627 /nfs/dbraw/zinc/70/96/27/477709627.db2.gz MJZKWIPCWASPAA-NEWSRXKRSA-N 1 3 341.499 2.676 20 0 EFADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339486 477709760 /nfs/dbraw/zinc/70/97/60/477709760.db2.gz LUVWFRODOGGSRS-YESZJQIVSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000426446448 477710854 /nfs/dbraw/zinc/71/08/54/477710854.db2.gz XYSKQSNQFGNWHV-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000426446448 477710861 /nfs/dbraw/zinc/71/08/61/477710861.db2.gz XYSKQSNQFGNWHV-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420346288 477713255 /nfs/dbraw/zinc/71/32/55/477713255.db2.gz YADDXLRBLWZGEM-ZWKOTPCHSA-N 1 3 329.488 2.750 20 0 EFADHO CCC[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420346645 477715285 /nfs/dbraw/zinc/71/52/85/477715285.db2.gz XAFAQTHHXVEFJK-OTWHNJEPSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346665 477716257 /nfs/dbraw/zinc/71/62/57/477716257.db2.gz XCSRZMBVOJZLLB-BHYGNILZSA-N 1 3 349.906 2.791 20 0 EFADHO COC(=O)CCN(CC[C@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC000420359052 477718864 /nfs/dbraw/zinc/71/88/64/477718864.db2.gz KCQNMKPVPROBDK-CQSZACIVSA-N 1 3 340.414 2.720 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC000420368947 477726557 /nfs/dbraw/zinc/72/65/57/477726557.db2.gz XCBGBOCJOCNHOA-OAHLLOKOSA-N 1 3 330.476 2.890 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420368525 477727506 /nfs/dbraw/zinc/72/75/06/477727506.db2.gz BANITUXOVUKNCC-XLIONFOSSA-N 1 3 348.487 2.682 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000420370550 477728308 /nfs/dbraw/zinc/72/83/08/477728308.db2.gz JNCCYEIGLHVTPB-QGZVFWFLSA-N 1 3 328.460 2.649 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370621 477729393 /nfs/dbraw/zinc/72/93/93/477729393.db2.gz JVYVZJFNMHBWTG-GOSISDBHSA-N 1 3 327.472 2.936 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370621 477729403 /nfs/dbraw/zinc/72/94/03/477729403.db2.gz JVYVZJFNMHBWTG-GOSISDBHSA-N 1 3 327.472 2.936 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370621 477729409 /nfs/dbraw/zinc/72/94/09/477729409.db2.gz JVYVZJFNMHBWTG-GOSISDBHSA-N 1 3 327.472 2.936 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000420380087 477734590 /nfs/dbraw/zinc/73/45/90/477734590.db2.gz BTHWJXWQWGDOIR-PXNSSMCTSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3cccc(Cl)c3)CC2)C1 ZINC000420382683 477736349 /nfs/dbraw/zinc/73/63/49/477736349.db2.gz DYXOLKXOBRXYNY-SJLPKXTDSA-N 1 3 338.879 2.937 20 0 EFADHO CCc1cccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420390726 477741661 /nfs/dbraw/zinc/74/16/61/477741661.db2.gz ZSGGNRAGOXAAQS-PMACEKPBSA-N 1 3 332.488 2.846 20 0 EFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000437703407 477742669 /nfs/dbraw/zinc/74/26/69/477742669.db2.gz KYAFTSYHSSERML-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000437703407 477742673 /nfs/dbraw/zinc/74/26/73/477742673.db2.gz KYAFTSYHSSERML-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000420394855 477745478 /nfs/dbraw/zinc/74/54/78/477745478.db2.gz SCJUCIULIQCKPO-MAUKXSAKSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000420394856 477745568 /nfs/dbraw/zinc/74/55/68/477745568.db2.gz SCJUCIULIQCKPO-QAPCUYQASA-N 1 3 338.879 2.937 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN[C@H](C)[C@H]2COc3ccccc32)cc1 ZINC000420395222 477746490 /nfs/dbraw/zinc/74/64/90/477746490.db2.gz DECSOSGWOJVRHQ-IDHHARJASA-N 1 3 326.440 2.892 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420410584 477753791 /nfs/dbraw/zinc/75/37/91/477753791.db2.gz XZMFHPUUUMEILQ-MAUKXSAKSA-N 1 3 333.451 2.927 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420410586 477754141 /nfs/dbraw/zinc/75/41/41/477754141.db2.gz XZMFHPUUUMEILQ-YJBOKZPZSA-N 1 3 333.451 2.927 20 0 EFADHO O=C(CN1CC[C@H](C2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000372340837 477763155 /nfs/dbraw/zinc/76/31/55/477763155.db2.gz VQRYARLVGXAIGH-FQEVSTJZSA-N 1 3 341.499 2.631 20 0 EFADHO CCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455851273 477767053 /nfs/dbraw/zinc/76/70/53/477767053.db2.gz FDCQGDFYCQYCIC-SFHVURJKSA-N 1 3 330.476 2.841 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000427265979 477773183 /nfs/dbraw/zinc/77/31/83/477773183.db2.gz GRWLAXYWTKMLMB-IBGZPJMESA-N 1 3 343.515 2.590 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC[C@H]3CCOC3)CC2)c1 ZINC000438062528 477790624 /nfs/dbraw/zinc/79/06/24/477790624.db2.gz FEINIINRDBGJTC-FQEVSTJZSA-N 1 3 345.531 2.913 20 0 EFADHO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000368461558 477807504 /nfs/dbraw/zinc/80/75/04/477807504.db2.gz JHIUVBVYMVXVAQ-FUHWJXTLSA-N 1 3 325.566 2.665 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910067 477811017 /nfs/dbraw/zinc/81/10/17/477811017.db2.gz DJBLVNGWYWROTA-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910067 477811020 /nfs/dbraw/zinc/81/10/20/477811020.db2.gz DJBLVNGWYWROTA-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910067 477811023 /nfs/dbraw/zinc/81/10/23/477811023.db2.gz DJBLVNGWYWROTA-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910067 477811028 /nfs/dbraw/zinc/81/10/28/477811028.db2.gz DJBLVNGWYWROTA-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO C[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@H](N)c1ccccc1 ZINC000515402716 477818630 /nfs/dbraw/zinc/81/86/30/477818630.db2.gz RNJUAYGZZIGFOL-LRDDRELGSA-N 1 3 344.484 2.885 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000438303485 477821443 /nfs/dbraw/zinc/82/14/43/477821443.db2.gz SHIBOYQJBJJQLK-HOTGVXAUSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000438303485 477821447 /nfs/dbraw/zinc/82/14/47/477821447.db2.gz SHIBOYQJBJJQLK-HOTGVXAUSA-N 1 3 348.491 2.540 20 0 EFADHO C[C@H]1CN(c2ccccc2CN2CCC(C[NH+](C)C)CC2)CCO1 ZINC000459308827 477833305 /nfs/dbraw/zinc/83/33/05/477833305.db2.gz ULYZHTKYPJYWSU-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)CC2([NH+](C)C)CCC2)CC1 ZINC000438473328 477846515 /nfs/dbraw/zinc/84/65/15/477846515.db2.gz RPBZUWUHLWQBSL-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@]1(C)CCCO1 ZINC000428247633 477851146 /nfs/dbraw/zinc/85/11/46/477851146.db2.gz QYLGSUCVLKLECC-OXJNMPFZSA-N 1 3 332.488 2.691 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000515804499 477865072 /nfs/dbraw/zinc/86/50/72/477865072.db2.gz GUHGBNVSPCFYKH-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000515804499 477865078 /nfs/dbraw/zinc/86/50/78/477865078.db2.gz GUHGBNVSPCFYKH-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578080 477867579 /nfs/dbraw/zinc/86/75/79/477867579.db2.gz WNHJOUKHRPLRAX-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578080 477867586 /nfs/dbraw/zinc/86/75/86/477867586.db2.gz WNHJOUKHRPLRAX-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451189952 477867717 /nfs/dbraw/zinc/86/77/17/477867717.db2.gz SKPNCHVRDSDAHB-UWVAXJGDSA-N 1 3 343.515 2.853 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000460892558 477868415 /nfs/dbraw/zinc/86/84/15/477868415.db2.gz HQCDKBCHHCBVBC-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCCc3ccncc3)CC2)CC1 ZINC000420976306 477872220 /nfs/dbraw/zinc/87/22/20/477872220.db2.gz GSVIDLYZRMYSFQ-UHFFFAOYSA-N 1 3 330.520 2.506 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCCc3ccncc3)CC2)CC1 ZINC000420976306 477872228 /nfs/dbraw/zinc/87/22/28/477872228.db2.gz GSVIDLYZRMYSFQ-UHFFFAOYSA-N 1 3 330.520 2.506 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1SC ZINC000459382374 477875356 /nfs/dbraw/zinc/87/53/56/477875356.db2.gz DNRCEFIWRXEWHG-KZNAEPCWSA-N 1 3 338.517 2.626 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000461441039 477877552 /nfs/dbraw/zinc/87/75/52/477877552.db2.gz DTUTUAYFXIBPES-AABGKKOBSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N(C)C ZINC000461441039 477877556 /nfs/dbraw/zinc/87/75/56/477877556.db2.gz DTUTUAYFXIBPES-AABGKKOBSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[NH+](C)C ZINC000456349378 477879137 /nfs/dbraw/zinc/87/91/37/477879137.db2.gz VQNSJOYYDDTRAZ-IEBWSBKVSA-N 1 3 331.504 2.553 20 0 EFADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000451221499 477885448 /nfs/dbraw/zinc/88/54/48/477885448.db2.gz JQJOAHFARQMOHU-LJQANCHMSA-N 1 3 333.520 2.774 20 0 EFADHO CC[NH+]1CCC(N2CCCN(CCOc3ccccc3F)CC2)CC1 ZINC000420998989 477888313 /nfs/dbraw/zinc/88/83/13/477888313.db2.gz BRTKDFUKNMTKMD-UHFFFAOYSA-N 1 3 349.494 2.697 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3nc4ccccc4o3)CC2)CC1 ZINC000421011328 477899707 /nfs/dbraw/zinc/89/97/07/477899707.db2.gz PBZDHPRLMOEXEC-UHFFFAOYSA-N 1 3 342.487 2.820 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3nc4ccccc4o3)CC2)CC1 ZINC000421011328 477899712 /nfs/dbraw/zinc/89/97/12/477899712.db2.gz PBZDHPRLMOEXEC-UHFFFAOYSA-N 1 3 342.487 2.820 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)CC1 ZINC000438912282 477904874 /nfs/dbraw/zinc/90/48/74/477904874.db2.gz NKKRCCFOCCTIFA-SFHLNBCPSA-N 1 3 343.515 2.876 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000462613052 477911454 /nfs/dbraw/zinc/91/14/54/477911454.db2.gz JEJVJYDCGHNQMG-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000462613052 477911463 /nfs/dbraw/zinc/91/14/63/477911463.db2.gz JEJVJYDCGHNQMG-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459461961 477918205 /nfs/dbraw/zinc/91/82/05/477918205.db2.gz KOWRJXVICPSDRG-KRWDZBQOSA-N 1 3 331.504 2.876 20 0 EFADHO CC(C)OCC[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459470101 477921927 /nfs/dbraw/zinc/92/19/27/477921927.db2.gz DWTSXDWLKNGHRN-KRWDZBQOSA-N 1 3 343.471 2.533 20 0 EFADHO CC(C)OCC[C@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000459470101 477921937 /nfs/dbraw/zinc/92/19/37/477921937.db2.gz DWTSXDWLKNGHRN-KRWDZBQOSA-N 1 3 343.471 2.533 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCCC[NH+](C)C ZINC000532442715 477929836 /nfs/dbraw/zinc/92/98/36/477929836.db2.gz GKWDNGBRDFUMBA-GFCCVEGCSA-N 1 3 331.382 2.964 20 0 EFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486936 477931566 /nfs/dbraw/zinc/93/15/66/477931566.db2.gz GOASTSVIHQVEAE-JYRKZWEQSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486936 477931571 /nfs/dbraw/zinc/93/15/71/477931571.db2.gz GOASTSVIHQVEAE-JYRKZWEQSA-N 1 3 327.516 2.923 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421045262 477931983 /nfs/dbraw/zinc/93/19/83/477931983.db2.gz KDVVHYMROICJEI-UHFFFAOYSA-N 1 3 348.491 2.621 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149419 477932790 /nfs/dbraw/zinc/93/27/90/477932790.db2.gz ZJYXIAOMMLCVTL-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149419 477932797 /nfs/dbraw/zinc/93/27/97/477932797.db2.gz ZJYXIAOMMLCVTL-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494148955 477932915 /nfs/dbraw/zinc/93/29/15/477932915.db2.gz UHMSIRWNVWDCFF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494148955 477932922 /nfs/dbraw/zinc/93/29/22/477932922.db2.gz UHMSIRWNVWDCFF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCN2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494148952 477934161 /nfs/dbraw/zinc/93/41/61/477934161.db2.gz UHMSIRWNVWDCFF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCN2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494148952 477934162 /nfs/dbraw/zinc/93/41/62/477934162.db2.gz UHMSIRWNVWDCFF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000439263220 477950970 /nfs/dbraw/zinc/95/09/70/477950970.db2.gz XFAGGYDHZSUYDL-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363611 477971170 /nfs/dbraw/zinc/97/11/70/477971170.db2.gz LAVUROBACGSLRC-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363611 477971176 /nfs/dbraw/zinc/97/11/76/477971176.db2.gz LAVUROBACGSLRC-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CN[C@@H](C)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000516663158 477972883 /nfs/dbraw/zinc/97/28/83/477972883.db2.gz FVBLJAJQYKWHCC-LBPRGKRZSA-N 1 3 346.302 2.882 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000516752012 477982998 /nfs/dbraw/zinc/98/29/98/477982998.db2.gz JSFYCJJTASEPKP-CQSZACIVSA-N 1 3 334.851 2.910 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000516824257 477991496 /nfs/dbraw/zinc/99/14/96/477991496.db2.gz BATXWORSCUNVGE-YQVWRLOYSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000516824257 477991501 /nfs/dbraw/zinc/99/15/01/477991501.db2.gz BATXWORSCUNVGE-YQVWRLOYSA-N 1 3 346.519 2.677 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2nc3ccc(F)cc3s2)CC1 ZINC000428857505 477997270 /nfs/dbraw/zinc/99/72/70/477997270.db2.gz SADPHGVAZNJORU-UHFFFAOYSA-N 1 3 336.480 2.551 20 0 EFADHO COc1cc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)ccn1 ZINC000559895394 478006356 /nfs/dbraw/zinc/00/63/56/478006356.db2.gz UXHGDAUYGOWRJL-INIZCTEOSA-N 1 3 343.471 2.924 20 0 EFADHO C[C@@](O)(CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964924 478023993 /nfs/dbraw/zinc/02/39/93/478023993.db2.gz CXSKXNNOQZOLNB-TZMCWYRMSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@@](O)(CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964924 478023999 /nfs/dbraw/zinc/02/39/99/478023999.db2.gz CXSKXNNOQZOLNB-TZMCWYRMSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000429000170 478029680 /nfs/dbraw/zinc/02/96/80/478029680.db2.gz FVUMGLGELGIXAD-SZMVWBNQSA-N 1 3 347.478 2.542 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1(C)C ZINC000560235636 478035806 /nfs/dbraw/zinc/03/58/06/478035806.db2.gz LSLFGKJQRGCHTH-MOPGFXCFSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494659701 478037034 /nfs/dbraw/zinc/03/70/34/478037034.db2.gz QVLHDZVAPFUHHP-HRCADAONSA-N 1 3 327.513 3.000 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000494684362 478042707 /nfs/dbraw/zinc/04/27/07/478042707.db2.gz IPVBSWNRGVXYQN-VKJFTORMSA-N 1 3 335.517 2.779 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CCC2)C[C@H](C)C1)C(C)C ZINC000487545901 478045609 /nfs/dbraw/zinc/04/56/09/478045609.db2.gz YNWLCAIFGYFEFF-KRWDZBQOSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361004 478054273 /nfs/dbraw/zinc/05/42/73/478054273.db2.gz KARPOEAAYIWQGK-MSOLQXFVSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361004 478054277 /nfs/dbraw/zinc/05/42/77/478054277.db2.gz KARPOEAAYIWQGK-MSOLQXFVSA-N 1 3 345.531 2.667 20 0 EFADHO CC[NH+]1CCC(N2CCCN(C/C=C\c3ccncc3)CC2)CC1 ZINC000421371304 478059507 /nfs/dbraw/zinc/05/95/07/478059507.db2.gz JLVGDOFNFYXJBR-HYXAFXHYSA-N 1 3 328.504 2.587 20 0 EFADHO COc1ccc(-n2cc(CNCC[C@@H]3CCC[N@H+](C)C3)cn2)cc1 ZINC000459731802 478063650 /nfs/dbraw/zinc/06/36/50/478063650.db2.gz FSKCFRPSTMMZBW-INIZCTEOSA-N 1 3 328.460 2.702 20 0 EFADHO COc1ccc(-n2cc(CNCC[C@@H]3CCC[N@@H+](C)C3)cn2)cc1 ZINC000459731802 478063659 /nfs/dbraw/zinc/06/36/59/478063659.db2.gz FSKCFRPSTMMZBW-INIZCTEOSA-N 1 3 328.460 2.702 20 0 EFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000421395564 478072214 /nfs/dbraw/zinc/07/22/14/478072214.db2.gz YVIPBDCUFSXXQC-MOPGFXCFSA-N 1 3 331.504 2.876 20 0 EFADHO CN(CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000440095036 478073864 /nfs/dbraw/zinc/07/38/64/478073864.db2.gz AFBIAPORLLGITC-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CN(CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000440095036 478073870 /nfs/dbraw/zinc/07/38/70/478073870.db2.gz AFBIAPORLLGITC-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421404188 478076407 /nfs/dbraw/zinc/07/64/07/478076407.db2.gz YGCQHKFKCLRIPP-LJQANCHMSA-N 1 3 345.531 2.813 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421404188 478076415 /nfs/dbraw/zinc/07/64/15/478076415.db2.gz YGCQHKFKCLRIPP-LJQANCHMSA-N 1 3 345.531 2.813 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000440212042 478091886 /nfs/dbraw/zinc/09/18/86/478091886.db2.gz CYUDMZXJIQLHFF-IBGZPJMESA-N 1 3 348.535 2.833 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000459792521 478095150 /nfs/dbraw/zinc/09/51/50/478095150.db2.gz SFKNWJIBRFYFHR-WOJBJXKFSA-N 1 3 343.515 2.876 20 0 EFADHO COc1ccccc1-n1nccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459791716 478095500 /nfs/dbraw/zinc/09/55/00/478095500.db2.gz RPVDEUZKPRMBDK-MRXNPFEDSA-N 1 3 328.460 2.702 20 0 EFADHO COc1ccccc1-n1nccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459791716 478095507 /nfs/dbraw/zinc/09/55/07/478095507.db2.gz RPVDEUZKPRMBDK-MRXNPFEDSA-N 1 3 328.460 2.702 20 0 EFADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560515374 478101060 /nfs/dbraw/zinc/10/10/60/478101060.db2.gz OAXNLDYPCFOMAE-OQIJWPOYSA-N 1 3 329.488 2.531 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000495193483 478137467 /nfs/dbraw/zinc/13/74/67/478137467.db2.gz PXJCBCLDIRPWEB-GOSISDBHSA-N 1 3 331.504 2.876 20 0 EFADHO CC(C)[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000560882667 478140097 /nfs/dbraw/zinc/14/00/97/478140097.db2.gz UOUMWXIAPJXRNU-HXUWFJFHSA-N 1 3 343.515 2.908 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488419764 478147374 /nfs/dbraw/zinc/14/73/74/478147374.db2.gz PNRUSSOPAIALQV-HKUYNNGSSA-N 1 3 348.560 2.713 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488419770 478147489 /nfs/dbraw/zinc/14/74/89/478147489.db2.gz PNRUSSOPAIALQV-MJGOQNOKSA-N 1 3 348.560 2.713 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000561070070 478149862 /nfs/dbraw/zinc/14/98/62/478149862.db2.gz PLHPMCFLZWVCNA-CALCHBBNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488502202 478155885 /nfs/dbraw/zinc/15/58/85/478155885.db2.gz RXWZVQBVBSHJIM-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488502202 478155890 /nfs/dbraw/zinc/15/58/90/478155890.db2.gz RXWZVQBVBSHJIM-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000495277855 478158930 /nfs/dbraw/zinc/15/89/30/478158930.db2.gz XZXAQGDBFDSCGK-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000495277855 478158932 /nfs/dbraw/zinc/15/89/32/478158932.db2.gz XZXAQGDBFDSCGK-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495277855 478158937 /nfs/dbraw/zinc/15/89/37/478158937.db2.gz XZXAQGDBFDSCGK-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495277855 478158939 /nfs/dbraw/zinc/15/89/39/478158939.db2.gz XZXAQGDBFDSCGK-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000495277853 478159009 /nfs/dbraw/zinc/15/90/09/478159009.db2.gz XZXAQGDBFDSCGK-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000495277853 478159010 /nfs/dbraw/zinc/15/90/10/478159010.db2.gz XZXAQGDBFDSCGK-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495277853 478159011 /nfs/dbraw/zinc/15/90/11/478159011.db2.gz XZXAQGDBFDSCGK-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000495277853 478159012 /nfs/dbraw/zinc/15/90/12/478159012.db2.gz XZXAQGDBFDSCGK-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574404 478163639 /nfs/dbraw/zinc/16/36/39/478163639.db2.gz HFULJCWSWTWSFV-NZSAHSFTSA-N 1 3 343.515 2.601 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574404 478163643 /nfs/dbraw/zinc/16/36/43/478163643.db2.gz HFULJCWSWTWSFV-NZSAHSFTSA-N 1 3 343.515 2.601 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495311068 478169968 /nfs/dbraw/zinc/16/99/68/478169968.db2.gz ASWNUOBYUNQLRX-GJZGRUSLSA-N 1 3 327.513 2.952 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495311068 478169972 /nfs/dbraw/zinc/16/99/72/478169972.db2.gz ASWNUOBYUNQLRX-GJZGRUSLSA-N 1 3 327.513 2.952 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000518514036 478174140 /nfs/dbraw/zinc/17/41/40/478174140.db2.gz JCFFLIYBPCKRIV-SXLOBPIMSA-N 1 3 333.520 2.674 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCN2CCCOCC2)CC1 ZINC000429696042 478176086 /nfs/dbraw/zinc/17/60/86/478176086.db2.gz FVFATMBNYKUXFT-UHFFFAOYSA-N 1 3 345.531 2.553 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCN2CCCOCC2)CC1 ZINC000429696042 478176090 /nfs/dbraw/zinc/17/60/90/478176090.db2.gz FVFATMBNYKUXFT-UHFFFAOYSA-N 1 3 345.531 2.553 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000495372186 478183623 /nfs/dbraw/zinc/18/36/23/478183623.db2.gz ONNNVHNYBSGAJD-INIZCTEOSA-N 1 3 337.508 2.992 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000518757663 478188271 /nfs/dbraw/zinc/18/82/71/478188271.db2.gz GBOCAHHTNGCBRW-IBGZPJMESA-N 1 3 334.504 2.753 20 0 EFADHO C[NH+](C)CC1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495419585 478193828 /nfs/dbraw/zinc/19/38/28/478193828.db2.gz XBEOYKXZFBKVRA-IBGZPJMESA-N 1 3 339.524 2.907 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCCN3CCCC3)C2)C1 ZINC000495443493 478199976 /nfs/dbraw/zinc/19/99/76/478199976.db2.gz SBLMPFOEHLUYQH-LJQANCHMSA-N 1 3 337.508 2.805 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCCN3CCCC3)C2)C1 ZINC000495443493 478199980 /nfs/dbraw/zinc/19/99/80/478199980.db2.gz SBLMPFOEHLUYQH-LJQANCHMSA-N 1 3 337.508 2.805 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000561716385 478200691 /nfs/dbraw/zinc/20/06/91/478200691.db2.gz PCRBDMMZZBWCIK-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000561716385 478200696 /nfs/dbraw/zinc/20/06/96/478200696.db2.gz PCRBDMMZZBWCIK-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762387 478203194 /nfs/dbraw/zinc/20/31/94/478203194.db2.gz SXJCIKCHHXOFFG-KVPLUYHFSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762387 478203198 /nfs/dbraw/zinc/20/31/98/478203198.db2.gz SXJCIKCHHXOFFG-KVPLUYHFSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561954944 478210162 /nfs/dbraw/zinc/21/01/62/478210162.db2.gz KIXXNWGDLNXFBU-YSIASYRMSA-N 1 3 342.483 2.931 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561954944 478210167 /nfs/dbraw/zinc/21/01/67/478210167.db2.gz KIXXNWGDLNXFBU-YSIASYRMSA-N 1 3 342.483 2.931 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976773 478210238 /nfs/dbraw/zinc/21/02/38/478210238.db2.gz RSZUKCHGRUWPEH-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976773 478210244 /nfs/dbraw/zinc/21/02/44/478210244.db2.gz RSZUKCHGRUWPEH-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000561976773 478210248 /nfs/dbraw/zinc/21/02/48/478210248.db2.gz RSZUKCHGRUWPEH-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000562138461 478216217 /nfs/dbraw/zinc/21/62/17/478216217.db2.gz DNHBLYCDSYYRTB-JENIJYKNSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000562138461 478216220 /nfs/dbraw/zinc/21/62/20/478216220.db2.gz DNHBLYCDSYYRTB-JENIJYKNSA-N 1 3 346.519 2.707 20 0 EFADHO CN1CC[C@@]2(CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000489330939 478233853 /nfs/dbraw/zinc/23/38/53/478233853.db2.gz PHFLWALARKVQIH-HXUWFJFHSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000519591882 478237278 /nfs/dbraw/zinc/23/72/78/478237278.db2.gz GTRGEDBXHVKKSQ-HKUYNNGSSA-N 1 3 346.519 2.584 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595968 478237875 /nfs/dbraw/zinc/23/78/75/478237875.db2.gz IUKCNNMWWKXTJK-DOTOQJQBSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595968 478237879 /nfs/dbraw/zinc/23/78/79/478237879.db2.gz IUKCNNMWWKXTJK-DOTOQJQBSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595968 478237882 /nfs/dbraw/zinc/23/78/82/478237882.db2.gz IUKCNNMWWKXTJK-DOTOQJQBSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC[NH+](C)C ZINC000519678910 478248006 /nfs/dbraw/zinc/24/80/06/478248006.db2.gz DJBCTQZWFDLASO-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)C ZINC000519819984 478264145 /nfs/dbraw/zinc/26/41/45/478264145.db2.gz BTWNOXHXIJBNJJ-NVXWUHKLSA-N 1 3 339.911 2.688 20 0 EFADHO CN(Cc1cncc(C[N@H+](C)[C@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000562535510 478264383 /nfs/dbraw/zinc/26/43/83/478264383.db2.gz OBOJAZJZVPEFFE-IRXDYDNUSA-N 1 3 337.558 2.956 20 0 EFADHO CN(Cc1cncc(C[N@@H+](C)[C@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000562535510 478264387 /nfs/dbraw/zinc/26/43/87/478264387.db2.gz OBOJAZJZVPEFFE-IRXDYDNUSA-N 1 3 337.558 2.956 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000536709467 478270262 /nfs/dbraw/zinc/27/02/62/478270262.db2.gz BVKNFYRTRKVVNC-UHFFFAOYSA-N 1 3 330.476 2.886 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCC[C@@H]1C ZINC000520201141 478282468 /nfs/dbraw/zinc/28/24/68/478282468.db2.gz BJQLUZXKSXMBFC-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCC[C@@H]1C ZINC000520201141 478282478 /nfs/dbraw/zinc/28/24/78/478282478.db2.gz BJQLUZXKSXMBFC-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO Cc1cc(CN[C@H]2CCC[C@H]([NH3+])C2)ccc1I ZINC000579373635 478283442 /nfs/dbraw/zinc/28/34/42/478283442.db2.gz AGWCBLNWXYSART-STQMWFEESA-N 1 3 344.240 2.959 20 0 EFADHO C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000495734657 478290411 /nfs/dbraw/zinc/29/04/11/478290411.db2.gz PNLJJVRVNGDUBY-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO C[C@H](CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2)C[NH+]1CCCC1 ZINC000495734657 478290419 /nfs/dbraw/zinc/29/04/19/478290419.db2.gz PNLJJVRVNGDUBY-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO FC(F)(F)Cn1cc(C[NH2+]C2CCN(c3ccncc3)CC2)cn1 ZINC000570141615 478291925 /nfs/dbraw/zinc/29/19/25/478291925.db2.gz ZUTOMQNNHVACKJ-UHFFFAOYSA-N 1 3 339.365 2.599 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000537308643 478297604 /nfs/dbraw/zinc/29/76/04/478297604.db2.gz UNQQIDZRFQLQOG-OAHLLOKOSA-N 1 3 349.906 2.929 20 0 EFADHO COc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000579473026 478306618 /nfs/dbraw/zinc/30/66/18/478306618.db2.gz BPUCQVKZFBALOQ-HUUCEWRRSA-N 1 3 329.444 2.885 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000594301244 478325118 /nfs/dbraw/zinc/32/51/18/478325118.db2.gz YNHZNBBQRINTFM-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000570304507 478332815 /nfs/dbraw/zinc/33/28/15/478332815.db2.gz DKHRGALFCBKDMP-UHFFFAOYSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000570383674 478347168 /nfs/dbraw/zinc/34/71/68/478347168.db2.gz YLEQYFJIQRVRFK-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO CC1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000562790191 478350960 /nfs/dbraw/zinc/35/09/60/478350960.db2.gz YXMYXHKWOAZSPW-SFHVURJKSA-N 1 3 344.503 2.512 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000590812142 478351570 /nfs/dbraw/zinc/35/15/70/478351570.db2.gz QDKSTYIIIYVEAI-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000562797084 478352252 /nfs/dbraw/zinc/35/22/52/478352252.db2.gz UBKDFQICHVTWCG-MOPGFXCFSA-N 1 3 344.503 2.655 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000562814826 478358833 /nfs/dbraw/zinc/35/88/33/478358833.db2.gz IGZOPDIZFKKOCI-WMZOPIPTSA-N 1 3 334.508 2.674 20 0 EFADHO Cn1cncc1CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000521063346 478367357 /nfs/dbraw/zinc/36/73/57/478367357.db2.gz QSLMVMCJAOXCDB-LJQANCHMSA-N 1 3 326.488 2.807 20 0 EFADHO Cn1cncc1CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000521063346 478367361 /nfs/dbraw/zinc/36/73/61/478367361.db2.gz QSLMVMCJAOXCDB-LJQANCHMSA-N 1 3 326.488 2.807 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)c2cccs2)CC1 ZINC000521071493 478368767 /nfs/dbraw/zinc/36/87/67/478368767.db2.gz PRYOIHVBNCMTTK-CVEARBPZSA-N 1 3 335.517 2.589 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)c2cccs2)CC1 ZINC000521071493 478368777 /nfs/dbraw/zinc/36/87/77/478368777.db2.gz PRYOIHVBNCMTTK-CVEARBPZSA-N 1 3 335.517 2.589 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000581556183 478386910 /nfs/dbraw/zinc/38/69/10/478386910.db2.gz VMKUGIDXDZSHND-NKGKWGDASA-N 1 3 349.906 2.584 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CC1(CN)CC1)CC2 ZINC000495887676 478389213 /nfs/dbraw/zinc/38/92/13/478389213.db2.gz UCJXVADPEDZVMB-UHFFFAOYSA-N 1 3 337.508 2.838 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2cc3ccccc3o2)CC[NH2+]CC1 ZINC000562959073 478394021 /nfs/dbraw/zinc/39/40/21/478394021.db2.gz RMHDRKFSPBMHJQ-AWEZNQCLSA-N 1 3 330.428 2.844 20 0 EFADHO FC(F)(F)[C@H](CN[C@H](CC1CC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000581602107 478398505 /nfs/dbraw/zinc/39/85/05/478398505.db2.gz ZTPLNGUENNWERB-SJORKVTESA-N 1 3 341.421 2.954 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083119 478400830 /nfs/dbraw/zinc/40/08/30/478400830.db2.gz GUBHRRAYVHIETQ-IUODEOHRSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000539083119 478400838 /nfs/dbraw/zinc/40/08/38/478400838.db2.gz GUBHRRAYVHIETQ-IUODEOHRSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)N1CCCCC1 ZINC000563014648 478417235 /nfs/dbraw/zinc/41/72/35/478417235.db2.gz ZWFVODAHHVZYGW-RDJZCZTQSA-N 1 3 340.895 2.934 20 0 EFADHO C[NH2+][C@@H](C)Cc1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000570718255 478428988 /nfs/dbraw/zinc/42/89/88/478428988.db2.gz VOHKMRFWWONMQC-HBNTYKKESA-N 1 3 334.386 2.596 20 0 EFADHO C[NH2+][C@H](C)Cc1noc([C@@H]2CN(C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000570718254 478429479 /nfs/dbraw/zinc/42/94/79/478429479.db2.gz VOHKMRFWWONMQC-GMTAPVOTSA-N 1 3 334.386 2.596 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[NH2+]C(C)C ZINC000563078142 478441646 /nfs/dbraw/zinc/44/16/46/478441646.db2.gz ZOEQHBAYQJUNHH-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495963803 478444066 /nfs/dbraw/zinc/44/40/66/478444066.db2.gz VNDGDZAUNUCPDH-BXWFABGCSA-N 1 3 337.508 2.517 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495963803 478444074 /nfs/dbraw/zinc/44/40/74/478444074.db2.gz VNDGDZAUNUCPDH-BXWFABGCSA-N 1 3 337.508 2.517 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495963805 478444242 /nfs/dbraw/zinc/44/42/42/478444242.db2.gz VNDGDZAUNUCPDH-FRQCXROJSA-N 1 3 337.508 2.517 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000495963805 478444248 /nfs/dbraw/zinc/44/42/48/478444248.db2.gz VNDGDZAUNUCPDH-FRQCXROJSA-N 1 3 337.508 2.517 20 0 EFADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980631 478456030 /nfs/dbraw/zinc/45/60/30/478456030.db2.gz JQYQHJBDHIRKOU-ZACQAIPSSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980631 478456033 /nfs/dbraw/zinc/45/60/33/478456033.db2.gz JQYQHJBDHIRKOU-ZACQAIPSSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980631 478456041 /nfs/dbraw/zinc/45/60/41/478456041.db2.gz JQYQHJBDHIRKOU-ZACQAIPSSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980631 478456047 /nfs/dbraw/zinc/45/60/47/478456047.db2.gz JQYQHJBDHIRKOU-ZACQAIPSSA-N 1 3 339.524 2.953 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000540190185 478465613 /nfs/dbraw/zinc/46/56/13/478465613.db2.gz GCELOGNXBQLTRL-PZJWPPBQSA-N 1 3 345.531 2.994 20 0 EFADHO COc1cccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1OC ZINC000571038405 478505425 /nfs/dbraw/zinc/50/54/25/478505425.db2.gz VHQPZROVAOKUQE-ZDUSSCGKSA-N 1 3 329.444 2.759 20 0 EFADHO O=C1NC2(CO1)CCN(Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000496062234 478510769 /nfs/dbraw/zinc/51/07/69/478510769.db2.gz ATTZQKZAVVSPJY-UHFFFAOYSA-N 1 3 343.471 2.747 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN[C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101167 478537983 /nfs/dbraw/zinc/53/79/83/478537983.db2.gz PRTMKTFYIRUSII-YHUYYLMFSA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101167 478537989 /nfs/dbraw/zinc/53/79/89/478537989.db2.gz PRTMKTFYIRUSII-YHUYYLMFSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000571213878 478544509 /nfs/dbraw/zinc/54/45/09/478544509.db2.gz POZRAWGGOHUAKV-VQIMIIECSA-N 1 3 344.503 2.535 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CC12CC2 ZINC000527909084 478568061 /nfs/dbraw/zinc/56/80/61/478568061.db2.gz OQFICTLQTQAJGW-HNAYVOBHSA-N 1 3 341.499 2.662 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498928 478570662 /nfs/dbraw/zinc/57/06/62/478570662.db2.gz DVBYMSHFXNGBSM-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498928 478570665 /nfs/dbraw/zinc/57/06/65/478570665.db2.gz DVBYMSHFXNGBSM-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](N4CCCC4)C3)ccc21 ZINC000571378585 478580527 /nfs/dbraw/zinc/58/05/27/478580527.db2.gz ZQPBVZHHOXFJMW-HKUYNNGSSA-N 1 3 342.487 2.938 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000571394886 478586983 /nfs/dbraw/zinc/58/69/83/478586983.db2.gz UHMSFHMOYBCUEA-UOVPBQLFSA-N 1 3 332.467 2.700 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000571399660 478588792 /nfs/dbraw/zinc/58/87/92/478588792.db2.gz CXAZTRKSTPMONS-FUHWJXTLSA-N 1 3 349.544 2.984 20 0 EFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000582456276 478601128 /nfs/dbraw/zinc/60/11/28/478601128.db2.gz KHGTZNXLGPYKQA-IVAOSVALSA-N 1 3 328.500 2.895 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1Cl)N1CCCCC1 ZINC000563618525 478603809 /nfs/dbraw/zinc/60/38/09/478603809.db2.gz ZXMCCWHJMGCCLA-HZPDHXFCSA-N 1 3 340.895 2.934 20 0 EFADHO CC[N@H+](CCC1CCN(CCNC(=O)NC(C)C)CC1)CC(C)C ZINC000563621039 478605056 /nfs/dbraw/zinc/60/50/56/478605056.db2.gz SBHSSNCKLRIGPN-UHFFFAOYSA-N 1 3 340.556 2.774 20 0 EFADHO CC[N@@H+](CCC1CCN(CCNC(=O)NC(C)C)CC1)CC(C)C ZINC000563621039 478605061 /nfs/dbraw/zinc/60/50/61/478605061.db2.gz SBHSSNCKLRIGPN-UHFFFAOYSA-N 1 3 340.556 2.774 20 0 EFADHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000591701427 478609356 /nfs/dbraw/zinc/60/93/56/478609356.db2.gz UXWUXYPMGFJBEQ-INIZCTEOSA-N 1 3 330.476 2.558 20 0 EFADHO C[C@H]([NH2+]CC(=O)NCCN1CCCCCC1)[C@@H](C)c1ccccc1 ZINC000563694022 478618357 /nfs/dbraw/zinc/61/83/57/478618357.db2.gz VTHNLONRGYJYAM-MSOLQXFVSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000582540566 478624386 /nfs/dbraw/zinc/62/43/86/478624386.db2.gz AXKPHHJAXRRQNK-ULFGMLNVSA-N 1 3 345.878 2.959 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000563726999 478624912 /nfs/dbraw/zinc/62/49/12/478624912.db2.gz QUJHBYWVEGJBBI-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491687342 478633399 /nfs/dbraw/zinc/63/33/99/478633399.db2.gz VQSXUZOXNPVSFC-SPCWZHTESA-N 1 3 343.515 2.899 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491687342 478633402 /nfs/dbraw/zinc/63/34/02/478633402.db2.gz VQSXUZOXNPVSFC-SPCWZHTESA-N 1 3 343.515 2.899 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000571632399 478639252 /nfs/dbraw/zinc/63/92/52/478639252.db2.gz BSZAGLDWKWXBOH-HMDCTGQHSA-N 1 3 346.475 2.677 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1=CCN(C)CC1 ZINC000571672003 478652067 /nfs/dbraw/zinc/65/20/67/478652067.db2.gz MHCBLUMEOIPEFI-APWZRJJASA-N 1 3 346.515 2.964 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000528151726 478660593 /nfs/dbraw/zinc/66/05/93/478660593.db2.gz UKHVDMXOUHXZCW-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000582727917 478670090 /nfs/dbraw/zinc/67/00/90/478670090.db2.gz SIJOOQFPHAXOOX-KRWDZBQOSA-N 1 3 341.455 2.526 20 0 EFADHO CSC1(CNCc2ccncc2Br)CC[NH+](C)CC1 ZINC000601124728 478671596 /nfs/dbraw/zinc/67/15/96/478671596.db2.gz IPYFWELVZKAWFW-UHFFFAOYSA-N 1 3 344.322 2.761 20 0 EFADHO C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000582760707 478675331 /nfs/dbraw/zinc/67/53/31/478675331.db2.gz KSDLYOBXLAEYNJ-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780057 478682516 /nfs/dbraw/zinc/68/25/16/478682516.db2.gz DXPOQNRYNXXIPK-OXQOHEQNSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780057 478682521 /nfs/dbraw/zinc/68/25/21/478682521.db2.gz DXPOQNRYNXXIPK-OXQOHEQNSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780057 478682526 /nfs/dbraw/zinc/68/25/26/478682526.db2.gz DXPOQNRYNXXIPK-OXQOHEQNSA-N 1 3 340.467 2.653 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1c[nH]c2ccccc21 ZINC000582819757 478691736 /nfs/dbraw/zinc/69/17/36/478691736.db2.gz RTFWUEQMWVADKF-INIZCTEOSA-N 1 3 344.503 2.613 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491851555 478709272 /nfs/dbraw/zinc/70/92/72/478709272.db2.gz ZHBYEFUXIQPHMM-CGICMKJESA-N 1 3 329.488 2.653 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491851555 478709277 /nfs/dbraw/zinc/70/92/77/478709277.db2.gz ZHBYEFUXIQPHMM-CGICMKJESA-N 1 3 329.488 2.653 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H](C)c3c[nH+]ccc3N)cc2)CC1 ZINC000582899257 478712794 /nfs/dbraw/zinc/71/27/94/478712794.db2.gz KFGRKOSDFAUOQB-INIZCTEOSA-N 1 3 339.487 2.805 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564443623 478743082 /nfs/dbraw/zinc/74/30/82/478743082.db2.gz HNYZRAZKBNELDK-MRXNPFEDSA-N 1 3 330.394 2.683 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000564444620 478743330 /nfs/dbraw/zinc/74/33/30/478743330.db2.gz QKGIMCQICHJWOA-QGZVFWFLSA-N 1 3 338.467 2.556 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@@H]2C)CC1 ZINC000564505963 478751977 /nfs/dbraw/zinc/75/19/77/478751977.db2.gz OZZIQYQWXICORF-AEFFLSMTSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498213922 478753312 /nfs/dbraw/zinc/75/33/12/478753312.db2.gz KXNLPQBHOLQSHP-KPFFTGBYSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498213922 478753317 /nfs/dbraw/zinc/75/33/17/478753317.db2.gz KXNLPQBHOLQSHP-KPFFTGBYSA-N 1 3 331.504 2.921 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000572130870 478761294 /nfs/dbraw/zinc/76/12/94/478761294.db2.gz LCOWHPXDSSHBCJ-INIZCTEOSA-N 1 3 344.503 2.822 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000572130870 478761305 /nfs/dbraw/zinc/76/13/05/478761305.db2.gz LCOWHPXDSSHBCJ-INIZCTEOSA-N 1 3 344.503 2.822 20 0 EFADHO C[NH+](C)CCCC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528431281 478771347 /nfs/dbraw/zinc/77/13/47/478771347.db2.gz LTEJYHKEGKWHHJ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(Cl)c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C ZINC000543762412 478783774 /nfs/dbraw/zinc/78/37/74/478783774.db2.gz ONVVBLWWJJTWCB-UHFFFAOYSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000572259319 478791822 /nfs/dbraw/zinc/79/18/22/478791822.db2.gz FHUIZKFAZCXZGH-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000572259319 478791824 /nfs/dbraw/zinc/79/18/24/478791824.db2.gz FHUIZKFAZCXZGH-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000501801514 478811292 /nfs/dbraw/zinc/81/12/92/478811292.db2.gz LRUFPJZSGPDGCW-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000583317236 478822201 /nfs/dbraw/zinc/82/22/01/478822201.db2.gz AJUSCYOUBLUSSF-XHSDSOJGSA-N 1 3 326.868 2.542 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000564846932 478829725 /nfs/dbraw/zinc/82/97/25/478829725.db2.gz WCDDKXPRJQTTEW-IBGZPJMESA-N 1 3 334.504 2.753 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000503007099 478834923 /nfs/dbraw/zinc/83/49/23/478834923.db2.gz ZDNJYBAKPABHOP-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000503007099 478834928 /nfs/dbraw/zinc/83/49/28/478834928.db2.gz ZDNJYBAKPABHOP-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)(C)OC(=O)CC1(NCCC[NH+]2CCCCC2)CCOCC1 ZINC000595540088 478841872 /nfs/dbraw/zinc/84/18/72/478841872.db2.gz GEUBFCUSEJALJY-UHFFFAOYSA-N 1 3 340.508 2.733 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429142 478849785 /nfs/dbraw/zinc/84/97/85/478849785.db2.gz JDZQLBJHTMWCNE-OWCLPIDISA-N 1 3 344.503 2.820 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000583429142 478849788 /nfs/dbraw/zinc/84/97/88/478849788.db2.gz JDZQLBJHTMWCNE-OWCLPIDISA-N 1 3 344.503 2.820 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000572494622 478851874 /nfs/dbraw/zinc/85/18/74/478851874.db2.gz BJDKRPZNHJKJSP-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000572494622 478851882 /nfs/dbraw/zinc/85/18/82/478851882.db2.gz BJDKRPZNHJKJSP-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000564909998 478856326 /nfs/dbraw/zinc/85/63/26/478856326.db2.gz RUQIQUXEAQIQKX-LPHOPBHVSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000564909998 478856334 /nfs/dbraw/zinc/85/63/34/478856334.db2.gz RUQIQUXEAQIQKX-LPHOPBHVSA-N 1 3 329.488 2.644 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C(C3CC3)C3CC3)CC2)CC1 ZINC000572540260 478861366 /nfs/dbraw/zinc/86/13/66/478861366.db2.gz VOVVMXVSXVXERE-UHFFFAOYSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494834 478864819 /nfs/dbraw/zinc/86/48/19/478864819.db2.gz HFJGYJCSQCPRLN-GOEBONIOSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494834 478864826 /nfs/dbraw/zinc/86/48/26/478864826.db2.gz HFJGYJCSQCPRLN-GOEBONIOSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494834 478864836 /nfs/dbraw/zinc/86/48/36/478864836.db2.gz HFJGYJCSQCPRLN-GOEBONIOSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494836 478865603 /nfs/dbraw/zinc/86/56/03/478865603.db2.gz HFJGYJCSQCPRLN-ZBFHGGJFSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494836 478865610 /nfs/dbraw/zinc/86/56/10/478865610.db2.gz HFJGYJCSQCPRLN-ZBFHGGJFSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494836 478865618 /nfs/dbraw/zinc/86/56/18/478865618.db2.gz HFJGYJCSQCPRLN-ZBFHGGJFSA-N 1 3 344.421 2.930 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000492189988 478866714 /nfs/dbraw/zinc/86/67/14/478866714.db2.gz SQKQDXFMTNMFEW-BPQIPLTHSA-N 1 3 331.460 2.816 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000492189988 478866723 /nfs/dbraw/zinc/86/67/23/478866723.db2.gz SQKQDXFMTNMFEW-BPQIPLTHSA-N 1 3 331.460 2.816 20 0 EFADHO Cc1cc(NC(=O)CC2(C[NH3+])CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000583563355 478878828 /nfs/dbraw/zinc/87/88/28/478878828.db2.gz QUSDGRZTNGBHKD-UHFFFAOYSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@@H+]1CCCC[C@H]1C ZINC000528713778 478894683 /nfs/dbraw/zinc/89/46/83/478894683.db2.gz IQHZZTOOKKJTLR-HUUCEWRRSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@H+]1CCCC[C@H]1C ZINC000528713778 478894687 /nfs/dbraw/zinc/89/46/87/478894687.db2.gz IQHZZTOOKKJTLR-HUUCEWRRSA-N 1 3 346.475 2.553 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@H]1C ZINC000528717311 478896393 /nfs/dbraw/zinc/89/63/93/478896393.db2.gz ZHBFQEIOXMHUEO-RHSMWYFYSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@H]1C ZINC000528717311 478896399 /nfs/dbraw/zinc/89/63/99/478896399.db2.gz ZHBFQEIOXMHUEO-RHSMWYFYSA-N 1 3 346.475 2.505 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492259686 478896353 /nfs/dbraw/zinc/89/63/53/478896353.db2.gz QUBUFDUYABDYRC-HNNXBMFYSA-N 1 3 327.513 2.952 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492259686 478896360 /nfs/dbraw/zinc/89/63/60/478896360.db2.gz QUBUFDUYABDYRC-HNNXBMFYSA-N 1 3 327.513 2.952 20 0 EFADHO CCNCCC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572712635 478901969 /nfs/dbraw/zinc/90/19/69/478901969.db2.gz KBAOBDBVVWBUOW-JKSUJKDBSA-N 1 3 343.471 2.573 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000572714933 478902300 /nfs/dbraw/zinc/90/23/00/478902300.db2.gz DCHAGBCYBFJYKL-MRXNPFEDSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000572714933 478902305 /nfs/dbraw/zinc/90/23/05/478902305.db2.gz DCHAGBCYBFJYKL-MRXNPFEDSA-N 1 3 338.442 2.821 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(C)CC3)CC2)CC1 ZINC000583702241 478921611 /nfs/dbraw/zinc/92/16/11/478921611.db2.gz NOIBFQVBKVGYEK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000565157835 478929046 /nfs/dbraw/zinc/92/90/46/478929046.db2.gz SZBIZTVNAQQCPG-ZWKOTPCHSA-N 1 3 341.842 2.885 20 0 EFADHO CCN(CC(F)(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565183527 478940271 /nfs/dbraw/zinc/94/02/71/478940271.db2.gz WALKBRMQRKOSIX-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@@H]1C ZINC000572942457 478955023 /nfs/dbraw/zinc/95/50/23/478955023.db2.gz RBMRBCHOBMBRDP-HOCLYGCPSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@@H]1C ZINC000572942457 478955029 /nfs/dbraw/zinc/95/50/29/478955029.db2.gz RBMRBCHOBMBRDP-HOCLYGCPSA-N 1 3 330.476 2.669 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000565224428 478955247 /nfs/dbraw/zinc/95/52/47/478955247.db2.gz IKJXYJUROLYEOL-HOTGVXAUSA-N 1 3 336.476 2.895 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@H](N)C2)cc1OC ZINC000565224428 478955256 /nfs/dbraw/zinc/95/52/56/478955256.db2.gz IKJXYJUROLYEOL-HOTGVXAUSA-N 1 3 336.476 2.895 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000583930445 478972755 /nfs/dbraw/zinc/97/27/55/478972755.db2.gz JFXIBIAMGARWLG-HOCLYGCPSA-N 1 3 338.879 2.628 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573088250 478989111 /nfs/dbraw/zinc/98/91/11/478989111.db2.gz JHHRRMHLZKOMSX-YQVWRLOYSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000573110789 478994817 /nfs/dbraw/zinc/99/48/17/478994817.db2.gz FSNSGCADYCESRA-INIZCTEOSA-N 1 3 338.879 2.605 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550972 479000548 /nfs/dbraw/zinc/00/05/48/479000548.db2.gz PNEIVAYAMHNJNJ-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550972 479000554 /nfs/dbraw/zinc/00/05/54/479000554.db2.gz PNEIVAYAMHNJNJ-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(F)cc1 ZINC000584047485 479003850 /nfs/dbraw/zinc/00/38/50/479003850.db2.gz GUPISGBORJSJKA-DPAVQSFQSA-N 1 3 343.450 2.754 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3OC)CC2)CC1 ZINC000565438223 479007906 /nfs/dbraw/zinc/00/79/06/479007906.db2.gz IBTZLPSXOUFYQX-UHFFFAOYSA-N 1 3 345.487 2.830 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573188616 479009492 /nfs/dbraw/zinc/00/94/92/479009492.db2.gz HFFJWJUVNZWPQZ-QGZVFWFLSA-N 1 3 346.475 2.507 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573188616 479009511 /nfs/dbraw/zinc/00/95/11/479009511.db2.gz HFFJWJUVNZWPQZ-QGZVFWFLSA-N 1 3 346.475 2.507 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000514588723 479028699 /nfs/dbraw/zinc/02/86/99/479028699.db2.gz UICBFOPKFPLOMH-MOPGFXCFSA-N 1 3 334.508 2.628 20 0 EFADHO c1cnc(N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cn1 ZINC000546606599 479039277 /nfs/dbraw/zinc/03/92/77/479039277.db2.gz AOSKZOBBYDVYMS-UHFFFAOYSA-N 1 3 343.519 2.690 20 0 EFADHO c1cnc(N2CCC(NC3CC[NH+](CC4CCCC4)CC3)CC2)cn1 ZINC000546606599 479039286 /nfs/dbraw/zinc/03/92/86/479039286.db2.gz AOSKZOBBYDVYMS-UHFFFAOYSA-N 1 3 343.519 2.690 20 0 EFADHO Clc1ccc(-c2ccc(CNCCCN3CC[NH2+]CC3)o2)cc1 ZINC000514719351 479054053 /nfs/dbraw/zinc/05/40/53/479054053.db2.gz DGIFCRLFCDBMNG-UHFFFAOYSA-N 1 3 333.863 2.985 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000573385778 479054465 /nfs/dbraw/zinc/05/44/65/479054465.db2.gz JFQBDSRVRKZYDS-PXNSSMCTSA-N 1 3 343.515 2.575 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000514724902 479056206 /nfs/dbraw/zinc/05/62/06/479056206.db2.gz HYSRNNDHZGQNEN-MJGOQNOKSA-N 1 3 331.504 2.964 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000514848162 479075960 /nfs/dbraw/zinc/07/59/60/479075960.db2.gz ITQSZKZDNWDCGG-DLBZAZTESA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000584289419 479081641 /nfs/dbraw/zinc/08/16/41/479081641.db2.gz KEZYXZODBNPXGY-YTQUADARSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1C ZINC000514931875 479092870 /nfs/dbraw/zinc/09/28/70/479092870.db2.gz BCNRENFVBHZDLM-CEXWTWQISA-N 1 3 334.504 2.814 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC(C)(C)CN1CCCC1 ZINC000573676436 479118958 /nfs/dbraw/zinc/11/89/58/479118958.db2.gz FEWCEUQNPOBYBD-GOSISDBHSA-N 1 3 334.504 2.755 20 0 EFADHO Cc1cnccc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584407255 479124541 /nfs/dbraw/zinc/12/45/41/479124541.db2.gz FHNTVZGTBOWLKX-HDICACEKSA-N 1 3 331.504 2.754 20 0 EFADHO CCc1[nH+]c2ccccc2c(N2CCN(CC(C)(C)O)CC2)c1C ZINC000573710264 479128171 /nfs/dbraw/zinc/12/81/71/479128171.db2.gz CZAMHZINMPXQLJ-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000584488759 479155040 /nfs/dbraw/zinc/15/50/40/479155040.db2.gz FKUIZPHKHIHNJL-SJLPKXTDSA-N 1 3 334.508 2.579 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCNCC[C@@H]3C)cc2)n1 ZINC000584584968 479187068 /nfs/dbraw/zinc/18/70/68/479187068.db2.gz UYKPVZWKEXBSJQ-YOEHRIQHSA-N 1 3 328.460 2.819 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@H]3CC[NH2+]CC[C@@H]3C)cc2)n1 ZINC000584584968 479187080 /nfs/dbraw/zinc/18/70/80/479187080.db2.gz UYKPVZWKEXBSJQ-YOEHRIQHSA-N 1 3 328.460 2.819 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837054 479191150 /nfs/dbraw/zinc/19/11/50/479191150.db2.gz GORNLHVKWGRCRL-GOEBONIOSA-N 1 3 325.403 2.756 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837054 479191158 /nfs/dbraw/zinc/19/11/58/479191158.db2.gz GORNLHVKWGRCRL-GOEBONIOSA-N 1 3 325.403 2.756 20 0 EFADHO C[C@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000529527746 479193184 /nfs/dbraw/zinc/19/31/84/479193184.db2.gz BWINVIOUASTUKD-JXFKEZNVSA-N 1 3 326.488 2.626 20 0 EFADHO c1ccc([C@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000574071560 479210197 /nfs/dbraw/zinc/21/01/97/479210197.db2.gz YUOWMLBNUIQKAS-IRXDYDNUSA-N 1 3 325.460 2.698 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000574069892 479210213 /nfs/dbraw/zinc/21/02/13/479210213.db2.gz APGOPJVLFCJHGW-DOTOQJQBSA-N 1 3 346.471 2.571 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000569929201 479210944 /nfs/dbraw/zinc/21/09/44/479210944.db2.gz MXVRVTLSDOJWFD-SFHVURJKSA-N 1 3 331.504 2.669 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H](N)Cc1ccccc1 ZINC000569929201 479210949 /nfs/dbraw/zinc/21/09/49/479210949.db2.gz MXVRVTLSDOJWFD-SFHVURJKSA-N 1 3 331.504 2.669 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3ccnn3C)C2)s1 ZINC000574090033 479215105 /nfs/dbraw/zinc/21/51/05/479215105.db2.gz UFHGPHJBJHOVHL-INIZCTEOSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3ccnn3C)C2)s1 ZINC000574090033 479215112 /nfs/dbraw/zinc/21/51/12/479215112.db2.gz UFHGPHJBJHOVHL-INIZCTEOSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1ccccc1C[C@@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556889187 479234114 /nfs/dbraw/zinc/23/41/14/479234114.db2.gz GOAYFRTYXWAFKO-GOSISDBHSA-N 1 3 331.504 2.508 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000584768516 479236301 /nfs/dbraw/zinc/23/63/01/479236301.db2.gz QZQMGQDWWFDWTQ-MRXNPFEDSA-N 1 3 342.487 2.672 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000574191594 479238267 /nfs/dbraw/zinc/23/82/67/479238267.db2.gz GNHHBYVUKOYPBS-CQSZACIVSA-N 1 3 339.430 2.861 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000574191594 479238274 /nfs/dbraw/zinc/23/82/74/479238274.db2.gz GNHHBYVUKOYPBS-CQSZACIVSA-N 1 3 339.430 2.861 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000584788649 479244662 /nfs/dbraw/zinc/24/46/62/479244662.db2.gz ONLAJECZVJISTQ-GOSISDBHSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000584788649 479244667 /nfs/dbraw/zinc/24/46/67/479244667.db2.gz ONLAJECZVJISTQ-GOSISDBHSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000584788650 479245263 /nfs/dbraw/zinc/24/52/63/479245263.db2.gz ONLAJECZVJISTQ-SFHVURJKSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000584788650 479245270 /nfs/dbraw/zinc/24/52/70/479245270.db2.gz ONLAJECZVJISTQ-SFHVURJKSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000584834496 479257185 /nfs/dbraw/zinc/25/71/85/479257185.db2.gz QMJBKWBMHLVUEE-RDJZCZTQSA-N 1 3 340.895 2.790 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000557164553 479261000 /nfs/dbraw/zinc/26/10/00/479261000.db2.gz PGDWZBFIQVWFEV-ZHALLVOQSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000557164551 479261249 /nfs/dbraw/zinc/26/12/49/479261249.db2.gz PGDWZBFIQVWFEV-AOIWGVFYSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000557164606 479261306 /nfs/dbraw/zinc/26/13/06/479261306.db2.gz SIFUOAKSQPKKEI-PBWTXFEYSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557566411 479289248 /nfs/dbraw/zinc/28/92/48/479289248.db2.gz RCMNHDVYCSZVIQ-IRXDYDNUSA-N 1 3 331.504 2.641 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C ZINC000593315591 479290294 /nfs/dbraw/zinc/29/02/94/479290294.db2.gz IPTHGZUQXDWXGM-KSSFIOAISA-N 1 3 348.487 2.805 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H](C)[C@@H]3CCCCN3)CC2)oc1C ZINC000574799928 479350306 /nfs/dbraw/zinc/35/03/06/479350306.db2.gz YZBCPSRRCQELSG-QAPCUYQASA-N 1 3 334.508 2.624 20 0 EFADHO Cc1nc(CN2CCC(CN[C@H](C)[C@@H]3CCCC[NH2+]3)CC2)oc1C ZINC000574799928 479350311 /nfs/dbraw/zinc/35/03/11/479350311.db2.gz YZBCPSRRCQELSG-QAPCUYQASA-N 1 3 334.508 2.624 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000574868846 479361865 /nfs/dbraw/zinc/36/18/65/479361865.db2.gz ALVHWSTXQGCLOK-SFHVURJKSA-N 1 3 334.504 2.896 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)NCCN2CCCCC2)cc1 ZINC000593499215 479367527 /nfs/dbraw/zinc/36/75/27/479367527.db2.gz SCWZCJITCHDQPD-UHFFFAOYSA-N 1 3 348.491 2.625 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574987307 479384396 /nfs/dbraw/zinc/38/43/96/479384396.db2.gz RMRJXJBCEJPEBC-LZLYRXPVSA-N 1 3 346.519 2.712 20 0 EFADHO c1cnc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2c1 ZINC000603517473 479399310 /nfs/dbraw/zinc/39/93/10/479399310.db2.gz YHEZXTLAXYBFTP-IBGZPJMESA-N 1 3 325.456 2.968 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000575223607 479421696 /nfs/dbraw/zinc/42/16/96/479421696.db2.gz ZJZMZBGLYAOGGN-GOSISDBHSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH+](C)C ZINC000604019083 479462554 /nfs/dbraw/zinc/46/25/54/479462554.db2.gz HYWLBGDRGKJOJD-QGZVFWFLSA-N 1 3 347.503 2.621 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604156500 479477639 /nfs/dbraw/zinc/47/76/39/479477639.db2.gz NDBNTYOFOFCLRX-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC000575816850 479480930 /nfs/dbraw/zinc/48/09/30/479480930.db2.gz XSQMLKRZSVHLRG-KURKYZTESA-N 1 3 337.895 2.573 20 0 EFADHO Cc1noc(C2CCC([NH2+][C@@H]3CNC[C@H]3c3ccccc3)CC2)n1 ZINC000575914929 479500153 /nfs/dbraw/zinc/50/01/53/479500153.db2.gz WSIAZFFFCQDCSQ-ZGUYJTEBSA-N 1 3 326.444 2.749 20 0 EFADHO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000575970813 479513110 /nfs/dbraw/zinc/51/31/10/479513110.db2.gz LIRAUSBUIMYPFE-OAHLLOKOSA-N 1 3 325.416 2.629 20 0 EFADHO Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000575970813 479513120 /nfs/dbraw/zinc/51/31/20/479513120.db2.gz LIRAUSBUIMYPFE-OAHLLOKOSA-N 1 3 325.416 2.629 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418256 479515910 /nfs/dbraw/zinc/51/59/10/479515910.db2.gz NTQZQICNRJJZHN-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418256 479515916 /nfs/dbraw/zinc/51/59/16/479515916.db2.gz NTQZQICNRJJZHN-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418256 479515923 /nfs/dbraw/zinc/51/59/23/479515923.db2.gz NTQZQICNRJJZHN-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000576120789 479545429 /nfs/dbraw/zinc/54/54/29/479545429.db2.gz PUUNDJFBKJTRAM-UHFFFAOYSA-N 1 3 331.504 2.739 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000576149228 479549909 /nfs/dbraw/zinc/54/99/09/479549909.db2.gz OTJBSXMCESKATL-SFHVURJKSA-N 1 3 334.504 2.798 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccn1 ZINC000578951878 479635080 /nfs/dbraw/zinc/63/50/80/479635080.db2.gz PQIACPUKUDOXPL-QGTPRVQTSA-N 1 3 333.476 2.509 20 0 EFADHO CC[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000605425811 479645225 /nfs/dbraw/zinc/64/52/25/479645225.db2.gz YPTNPIKWEDKTQI-IXDOHACOSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000605425811 479645230 /nfs/dbraw/zinc/64/52/30/479645230.db2.gz YPTNPIKWEDKTQI-IXDOHACOSA-N 1 3 325.541 2.980 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000579000994 479647953 /nfs/dbraw/zinc/64/79/53/479647953.db2.gz CZFKFZSFZGFTGE-KBAYOESNSA-N 1 3 331.504 2.962 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000605521926 479654074 /nfs/dbraw/zinc/65/40/74/479654074.db2.gz WLQJFEHKXQOTEJ-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618986581 479660543 /nfs/dbraw/zinc/66/05/43/479660543.db2.gz GOKYGHRYPMNJNM-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618986581 479660545 /nfs/dbraw/zinc/66/05/45/479660545.db2.gz GOKYGHRYPMNJNM-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@H+](Cc1ccccc1CNC(=O)C1(N)CCC1)C1CCCCC1 ZINC000579105829 479661641 /nfs/dbraw/zinc/66/16/41/479661641.db2.gz IOPCNMKPNYFAJV-UHFFFAOYSA-N 1 3 329.488 2.949 20 0 EFADHO C[N@@H+](Cc1ccccc1CNC(=O)C1(N)CCC1)C1CCCCC1 ZINC000579105829 479661643 /nfs/dbraw/zinc/66/16/43/479661643.db2.gz IOPCNMKPNYFAJV-UHFFFAOYSA-N 1 3 329.488 2.949 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(CCCO)Cc2ccccc2)cc1 ZINC000579132589 479666689 /nfs/dbraw/zinc/66/66/89/479666689.db2.gz FYDXWGIWYVJZEZ-LJQANCHMSA-N 1 3 328.456 2.622 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000579132589 479666695 /nfs/dbraw/zinc/66/66/95/479666695.db2.gz FYDXWGIWYVJZEZ-LJQANCHMSA-N 1 3 328.456 2.622 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000579132589 479666696 /nfs/dbraw/zinc/66/66/96/479666696.db2.gz FYDXWGIWYVJZEZ-LJQANCHMSA-N 1 3 328.456 2.622 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000621641149 479733986 /nfs/dbraw/zinc/73/39/86/479733986.db2.gz BEZUCSFBFMJTDD-IBGZPJMESA-N 1 3 343.515 2.590 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000621642742 479735678 /nfs/dbraw/zinc/73/56/78/479735678.db2.gz UXMQJLXAWIHXRT-INIZCTEOSA-N 1 3 349.544 2.856 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000621641460 479735947 /nfs/dbraw/zinc/73/59/47/479735947.db2.gz KMROSNKLJLKJLP-HOTGVXAUSA-N 1 3 335.517 2.781 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621641590 479736001 /nfs/dbraw/zinc/73/60/01/479736001.db2.gz OXZRKYXVFXBYNY-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO NCc1cc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000621656452 479739304 /nfs/dbraw/zinc/73/93/04/479739304.db2.gz PFWAOIQJEHGQKS-NSHDSACASA-N 1 3 329.366 2.882 20 0 EFADHO CN(C)C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000621659189 479740761 /nfs/dbraw/zinc/74/07/61/479740761.db2.gz BNIBYMHMHFIXGJ-YOEHRIQHSA-N 1 3 337.895 2.839 20 0 EFADHO CN(CCCC[NH+](C)C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000607034114 479770533 /nfs/dbraw/zinc/77/05/33/479770533.db2.gz ZYYXGTBVKXXUPJ-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000607036467 479770835 /nfs/dbraw/zinc/77/08/35/479770835.db2.gz OPLXRYXIWXOPFI-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000633341215 479777603 /nfs/dbraw/zinc/77/76/03/479777603.db2.gz FCLFKZPVGACPNY-MSOLQXFVSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616154910 479837944 /nfs/dbraw/zinc/83/79/44/479837944.db2.gz HUTPZKPULDXGLE-WOJBJXKFSA-N 1 3 343.515 2.807 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnc(C4CC4)o3)CC2)CC1 ZINC000628316442 479852873 /nfs/dbraw/zinc/85/28/73/479852873.db2.gz URDGNUYYVKUXGY-UHFFFAOYSA-N 1 3 332.492 2.544 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cnc(C4CC4)o3)CC2)CC1 ZINC000628316442 479852877 /nfs/dbraw/zinc/85/28/77/479852877.db2.gz URDGNUYYVKUXGY-UHFFFAOYSA-N 1 3 332.492 2.544 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631050443 479859523 /nfs/dbraw/zinc/85/95/23/479859523.db2.gz ZPBKPGBQDMWZEJ-KRWDZBQOSA-N 1 3 331.504 2.986 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@H](C)O1 ZINC000631596116 480174003 /nfs/dbraw/zinc/17/40/03/480174003.db2.gz HTUGULYSYWNZQA-PJVZLEMVSA-N 1 3 336.520 2.813 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000617343859 480174771 /nfs/dbraw/zinc/17/47/71/480174771.db2.gz ZHUWGWTYNGQBJW-OALUTQOASA-N 1 3 343.515 2.855 20 0 EFADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000631664926 480206485 /nfs/dbraw/zinc/20/64/85/480206485.db2.gz SHHHTIOGXLYJQV-WMQCIHAUSA-N 1 3 346.515 2.786 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000631664617 480207025 /nfs/dbraw/zinc/20/70/25/480207025.db2.gz QNEJUMGKBMHTQF-AOIWGVFYSA-N 1 3 341.503 2.759 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2NCc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629405193 480246529 /nfs/dbraw/zinc/24/65/29/480246529.db2.gz HQKWVMNRGKHNPH-GBESFXJTSA-N 1 3 325.460 2.547 20 0 EFADHO CN1CCC([N@@H+]2CC[C@H](NCc3c(F)ccc(F)c3Cl)C2)CC1 ZINC000623416106 480273570 /nfs/dbraw/zinc/27/35/70/480273570.db2.gz JPMFGWBGYIUQFX-LBPRGKRZSA-N 1 3 343.849 2.876 20 0 EFADHO CN1CCC([N@H+]2CC[C@H](NCc3c(F)ccc(F)c3Cl)C2)CC1 ZINC000623416106 480273575 /nfs/dbraw/zinc/27/35/75/480273575.db2.gz JPMFGWBGYIUQFX-LBPRGKRZSA-N 1 3 343.849 2.876 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2csc(C(F)(F)F)c2)CC1 ZINC000623439926 480285175 /nfs/dbraw/zinc/28/51/75/480285175.db2.gz BBXNZUFXXWMDCR-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000631827551 480287798 /nfs/dbraw/zinc/28/77/98/480287798.db2.gz QKDROFJUIXUFQV-PSBWJHGTSA-N 1 3 329.488 2.574 20 0 EFADHO Clc1ccc([C@@H]2CC[C@@H](NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)cc1 ZINC000629548631 480300862 /nfs/dbraw/zinc/30/08/62/480300862.db2.gz HTAUVKLDVVBFJK-KYJSFNMBSA-N 1 3 345.878 2.892 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000623485509 480305479 /nfs/dbraw/zinc/30/54/79/480305479.db2.gz CPOMGVKHKNICAD-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000623485509 480305482 /nfs/dbraw/zinc/30/54/82/480305482.db2.gz CPOMGVKHKNICAD-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCCc3cccc(CN)c32)cc1 ZINC000629561131 480308068 /nfs/dbraw/zinc/30/80/68/480308068.db2.gz QSAMRCDRVMXLGY-GOSISDBHSA-N 1 3 325.456 2.649 20 0 EFADHO O[C@@H](CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C[NH+]1CCCC1 ZINC000629577398 480314225 /nfs/dbraw/zinc/31/42/25/480314225.db2.gz HOAHCKQIRRHIMP-XIRDDKMYSA-N 1 3 342.405 2.998 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000621107611 480337262 /nfs/dbraw/zinc/33/72/62/480337262.db2.gz JGHUBPMOQUCSNC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000621107611 480337269 /nfs/dbraw/zinc/33/72/69/480337269.db2.gz JGHUBPMOQUCSNC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)N(C)C)cc1 ZINC000623566163 480342809 /nfs/dbraw/zinc/34/28/09/480342809.db2.gz ISOUQNOJKFXFFV-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)N(C)C)cc1 ZINC000623566163 480342811 /nfs/dbraw/zinc/34/28/11/480342811.db2.gz ISOUQNOJKFXFFV-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CC2=Cc3ccccc3OC2)C1 ZINC000629649845 480343317 /nfs/dbraw/zinc/34/33/17/480343317.db2.gz IAUORWZGUSNDKW-GGPKGHCWSA-N 1 3 328.456 2.823 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)C1 ZINC000629650357 480343564 /nfs/dbraw/zinc/34/35/64/480343564.db2.gz SDYSZHNLOYNAAG-NSHGMRRFSA-N 1 3 328.456 2.681 20 0 EFADHO COc1ccc(CN2CC[C@H]2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623641172 480375657 /nfs/dbraw/zinc/37/56/57/480375657.db2.gz LRUYOZGHRXJWPS-MSOLQXFVSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(CN2CC[C@H]2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623641172 480375663 /nfs/dbraw/zinc/37/56/63/480375663.db2.gz LRUYOZGHRXJWPS-MSOLQXFVSA-N 1 3 331.504 2.732 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2cnc(CCOC)s2)CC1 ZINC000637906345 480376834 /nfs/dbraw/zinc/37/68/34/480376834.db2.gz VCMKMCDIQRNQRT-UHFFFAOYSA-N 1 3 325.522 2.886 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635445141 480379304 /nfs/dbraw/zinc/37/93/04/480379304.db2.gz VUQBSPLZRZKNFT-UHFFFAOYSA-N 1 3 337.895 2.572 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000623656534 480381964 /nfs/dbraw/zinc/38/19/64/480381964.db2.gz WIVLTMORGDZYHM-OAHLLOKOSA-N 1 3 328.460 2.907 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000644422160 480384768 /nfs/dbraw/zinc/38/47/68/480384768.db2.gz LFTQDEUWIHIXOU-ZBFHGGJFSA-N 1 3 346.393 2.563 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1C ZINC000640469154 480395257 /nfs/dbraw/zinc/39/52/57/480395257.db2.gz CDRKIKIOOQUDMB-HNNXBMFYSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccsc1C ZINC000640469154 480395262 /nfs/dbraw/zinc/39/52/62/480395262.db2.gz CDRKIKIOOQUDMB-HNNXBMFYSA-N 1 3 338.521 2.936 20 0 EFADHO CC(C)[NH+]1CCC(NCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000644513487 480408132 /nfs/dbraw/zinc/40/81/32/480408132.db2.gz RJYAJMMNARAGKI-UHFFFAOYSA-N 1 3 325.403 2.756 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000644519525 480412619 /nfs/dbraw/zinc/41/26/19/480412619.db2.gz YFVHTIUFBYRJQN-SFHVURJKSA-N 1 3 348.874 2.931 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545350 480428779 /nfs/dbraw/zinc/42/87/79/480428779.db2.gz JDFVEGZLXAIFLD-FGZHOGPDSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545350 480428788 /nfs/dbraw/zinc/42/87/88/480428788.db2.gz JDFVEGZLXAIFLD-FGZHOGPDSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545350 480428794 /nfs/dbraw/zinc/42/87/94/480428794.db2.gz JDFVEGZLXAIFLD-FGZHOGPDSA-N 1 3 338.495 2.744 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1F ZINC000640531159 480434769 /nfs/dbraw/zinc/43/47/69/480434769.db2.gz GFCBNKISPNWKGB-KRWDZBQOSA-N 1 3 338.467 2.763 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1F ZINC000640531160 480435395 /nfs/dbraw/zinc/43/53/95/480435395.db2.gz GFCBNKISPNWKGB-QGZVFWFLSA-N 1 3 338.467 2.763 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)CCn1cnc2ccccc2c1=O ZINC000640532153 480437527 /nfs/dbraw/zinc/43/75/27/480437527.db2.gz ATRRRCHSGKBHHY-UHFFFAOYSA-N 1 3 342.487 2.594 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701910 480441978 /nfs/dbraw/zinc/44/19/78/480441978.db2.gz XTMUHZMTRYONFK-NJYVYQBISA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701910 480441982 /nfs/dbraw/zinc/44/19/82/480441982.db2.gz XTMUHZMTRYONFK-NJYVYQBISA-N 1 3 340.442 2.908 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635555689 480458542 /nfs/dbraw/zinc/45/85/42/480458542.db2.gz HCOBLOZWYRPGMD-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000635555689 480458548 /nfs/dbraw/zinc/45/85/48/480458548.db2.gz HCOBLOZWYRPGMD-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(OCC)c2)[C@H](C)C1 ZINC000621336477 480458784 /nfs/dbraw/zinc/45/87/84/480458784.db2.gz ZZFNWUTZDPUJEM-APWZRJJASA-N 1 3 335.492 2.707 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000634724384 480467349 /nfs/dbraw/zinc/46/73/49/480467349.db2.gz OWDRCLRGVWKYRU-FVQBIDKESA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC(F)(F)F ZINC000634724384 480467355 /nfs/dbraw/zinc/46/73/55/480467355.db2.gz OWDRCLRGVWKYRU-FVQBIDKESA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC(F)(F)F ZINC000634724384 480467360 /nfs/dbraw/zinc/46/73/60/480467360.db2.gz OWDRCLRGVWKYRU-FVQBIDKESA-N 1 3 330.394 2.657 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629963535 480477415 /nfs/dbraw/zinc/47/74/15/480477415.db2.gz ONPRXBXIOUSSBA-PXNSSMCTSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629963535 480477421 /nfs/dbraw/zinc/47/74/21/480477421.db2.gz ONPRXBXIOUSSBA-PXNSSMCTSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635589561 480483693 /nfs/dbraw/zinc/48/36/93/480483693.db2.gz QCDISDFBBIFDBF-PKOBYXMFSA-N 1 3 343.515 2.840 20 0 EFADHO COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CCC(C)C)N2CCCC2)c1 ZINC000638051481 480494550 /nfs/dbraw/zinc/49/45/50/480494550.db2.gz IWVYDNBHMFZZJM-RTBURBONSA-N 1 3 347.503 2.712 20 0 EFADHO CSc1ccc([C@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629995615 480502135 /nfs/dbraw/zinc/50/21/35/480502135.db2.gz DIMWFPHWAXCENT-KRWDZBQOSA-N 1 3 335.517 2.612 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C[N@H+](C)C2CCC2)N(C)C)cc1 ZINC000629995615 480502139 /nfs/dbraw/zinc/50/21/39/480502139.db2.gz DIMWFPHWAXCENT-KRWDZBQOSA-N 1 3 335.517 2.612 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCC2)N(C)C)cc1 ZINC000629995615 480502143 /nfs/dbraw/zinc/50/21/43/480502143.db2.gz DIMWFPHWAXCENT-KRWDZBQOSA-N 1 3 335.517 2.612 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](N1CCC(OCC[NH+](C)C)CC1)CC2 ZINC000638061981 480502863 /nfs/dbraw/zinc/50/28/63/480502863.db2.gz OLODJYWFILROOH-SFHVURJKSA-N 1 3 348.487 2.734 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000638063968 480504744 /nfs/dbraw/zinc/50/47/44/480504744.db2.gz QJBNMECJXWDVMN-MOXGXCLJSA-N 1 3 345.487 2.624 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000638063968 480504751 /nfs/dbraw/zinc/50/47/51/480504751.db2.gz QJBNMECJXWDVMN-MOXGXCLJSA-N 1 3 345.487 2.624 20 0 EFADHO CN(CC(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000630006725 480507038 /nfs/dbraw/zinc/50/70/38/480507038.db2.gz YSWMFFRBXFJVJZ-UHFFFAOYSA-N 1 3 329.488 2.642 20 0 EFADHO CN(CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1CCC1 ZINC000630006725 480507046 /nfs/dbraw/zinc/50/70/46/480507046.db2.gz YSWMFFRBXFJVJZ-UHFFFAOYSA-N 1 3 329.488 2.642 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635619396 480512286 /nfs/dbraw/zinc/51/22/86/480512286.db2.gz JBDAAKZPBRKEPY-WOJBJXKFSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635619396 480512291 /nfs/dbraw/zinc/51/22/91/480512291.db2.gz JBDAAKZPBRKEPY-WOJBJXKFSA-N 1 3 341.499 2.736 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000638080926 480520336 /nfs/dbraw/zinc/52/03/36/480520336.db2.gz FDYFRTKFNCGSSD-LJQANCHMSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638103825 480535850 /nfs/dbraw/zinc/53/58/50/480535850.db2.gz UVDWCVAYEXILCH-UHOSZYNNSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638103825 480535859 /nfs/dbraw/zinc/53/58/59/480535859.db2.gz UVDWCVAYEXILCH-UHOSZYNNSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638111205 480541214 /nfs/dbraw/zinc/54/12/14/480541214.db2.gz LFVALQWUJSIBPP-OALUTQOASA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638111205 480541222 /nfs/dbraw/zinc/54/12/22/480541222.db2.gz LFVALQWUJSIBPP-OALUTQOASA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@@H](C)[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638153283 480571352 /nfs/dbraw/zinc/57/13/52/480571352.db2.gz QFWMTHSBOBKEIA-MJGOQNOKSA-N 1 3 325.541 2.538 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(N2CCOCC2)c1 ZINC000624119770 480619229 /nfs/dbraw/zinc/61/92/29/480619229.db2.gz JHEJMNILKQEDCW-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(CC)CC[NH3+])N(CC)CC)cc1 ZINC000627044110 480635771 /nfs/dbraw/zinc/63/57/71/480635771.db2.gz ZCMCHHTYUHIHRY-GOSISDBHSA-N 1 3 334.508 2.622 20 0 EFADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)CC(C)C ZINC000638273280 480636831 /nfs/dbraw/zinc/63/68/31/480636831.db2.gz GIYFKGHGKYOWKY-HXUWFJFHSA-N 1 3 334.504 2.794 20 0 EFADHO Cc1cc(F)c(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000644903557 480637720 /nfs/dbraw/zinc/63/77/20/480637720.db2.gz IZSODHXBBWNDRO-MRXNPFEDSA-N 1 3 337.458 2.874 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354643 480638028 /nfs/dbraw/zinc/63/80/28/480638028.db2.gz FHDNKYTYCNBPRZ-NSHGMRRFSA-N 1 3 343.515 2.635 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354643 480638032 /nfs/dbraw/zinc/63/80/32/480638032.db2.gz FHDNKYTYCNBPRZ-NSHGMRRFSA-N 1 3 343.515 2.635 20 0 EFADHO CO[C@](C)(C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000638274305 480638968 /nfs/dbraw/zinc/63/89/68/480638968.db2.gz NCWDNHKDTPVWHO-HXUWFJFHSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354644 480639010 /nfs/dbraw/zinc/63/90/10/480639010.db2.gz FHDNKYTYCNBPRZ-QWFCFKBJSA-N 1 3 343.515 2.635 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354644 480639015 /nfs/dbraw/zinc/63/90/15/480639015.db2.gz FHDNKYTYCNBPRZ-QWFCFKBJSA-N 1 3 343.515 2.635 20 0 EFADHO CO[C@@](C)(C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CC1 ZINC000638274304 480639432 /nfs/dbraw/zinc/63/94/32/480639432.db2.gz NCWDNHKDTPVWHO-FQEVSTJZSA-N 1 3 332.488 2.548 20 0 EFADHO COc1ccc([C@H](NC2CC[NH+](CC(C)(C)O)CC2)C2CC2)cc1 ZINC000638316326 480663016 /nfs/dbraw/zinc/66/30/16/480663016.db2.gz MIPIZXAUDMQMNG-LJQANCHMSA-N 1 3 332.488 2.971 20 0 EFADHO CO[C@]1(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOC1 ZINC000638326966 480666692 /nfs/dbraw/zinc/66/66/92/480666692.db2.gz ASIHVNMTUGRTDE-FQEVSTJZSA-N 1 3 332.488 2.814 20 0 EFADHO O=C1CC[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCN1 ZINC000634981835 480674690 /nfs/dbraw/zinc/67/46/90/480674690.db2.gz UOVNKOIBHGMQKG-RTBURBONSA-N 1 3 329.488 2.547 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638357557 480681292 /nfs/dbraw/zinc/68/12/92/480681292.db2.gz YLWKMQIWUDDKCM-ROUUACIJSA-N 1 3 337.552 2.728 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638357558 480681329 /nfs/dbraw/zinc/68/13/29/480681329.db2.gz YLWKMQIWUDDKCM-ZWKOTPCHSA-N 1 3 337.552 2.728 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1nc2c(s1)CCCC2 ZINC000635008334 480685022 /nfs/dbraw/zinc/68/50/22/480685022.db2.gz IWUUSPXONPMSII-ZDUSSCGKSA-N 1 3 343.500 3.000 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCOC1 ZINC000638362752 480685036 /nfs/dbraw/zinc/68/50/36/480685036.db2.gz DUCWIQHTOFUWIT-XLIONFOSSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCOC1 ZINC000638362752 480685041 /nfs/dbraw/zinc/68/50/41/480685041.db2.gz DUCWIQHTOFUWIT-XLIONFOSSA-N 1 3 332.488 2.956 20 0 EFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(F)c1 ZINC000635008878 480685127 /nfs/dbraw/zinc/68/51/27/480685127.db2.gz LDHCSLDZAFQHLV-CYBMUJFWSA-N 1 3 330.407 2.812 20 0 EFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1F ZINC000635010705 480686163 /nfs/dbraw/zinc/68/61/63/480686163.db2.gz VARNOWYVVGERFW-CYBMUJFWSA-N 1 3 330.407 2.812 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000635010229 480687076 /nfs/dbraw/zinc/68/70/76/480687076.db2.gz RDAXJBKBCCUFLA-INIZCTEOSA-N 1 3 348.454 2.850 20 0 EFADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000635013825 480690777 /nfs/dbraw/zinc/69/07/77/480690777.db2.gz WLBUPLYZFHWWDV-HZSPNIEDSA-N 1 3 330.398 2.802 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373290 480691650 /nfs/dbraw/zinc/69/16/50/480691650.db2.gz BGYDMPCKPIUOPI-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373290 480691653 /nfs/dbraw/zinc/69/16/53/480691653.db2.gz BGYDMPCKPIUOPI-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000638376421 480692971 /nfs/dbraw/zinc/69/29/71/480692971.db2.gz AQZAAFBBRSEMPI-IBGZPJMESA-N 1 3 346.519 2.910 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901941 480694975 /nfs/dbraw/zinc/69/49/75/480694975.db2.gz BQSNCFYRZNCOLG-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901941 480694977 /nfs/dbraw/zinc/69/49/77/480694977.db2.gz BQSNCFYRZNCOLG-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645132263 480709351 /nfs/dbraw/zinc/70/93/51/480709351.db2.gz UMQPIEFJRDHLSH-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CCCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000645132263 480709357 /nfs/dbraw/zinc/70/93/57/480709357.db2.gz UMQPIEFJRDHLSH-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635931461 480710894 /nfs/dbraw/zinc/71/08/94/480710894.db2.gz RKBKKIIOBLGFSK-GOSISDBHSA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638415451 480713101 /nfs/dbraw/zinc/71/31/01/480713101.db2.gz ZAZWYALALMWVRV-TYPHKJRUSA-N 1 3 346.515 2.978 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638415451 480713105 /nfs/dbraw/zinc/71/31/05/480713105.db2.gz ZAZWYALALMWVRV-TYPHKJRUSA-N 1 3 346.515 2.978 20 0 EFADHO COc1ccc([C@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cn1 ZINC000624347266 480720663 /nfs/dbraw/zinc/72/06/63/480720663.db2.gz AJKVSMBILCZIKU-UYAOXDASSA-N 1 3 345.487 2.774 20 0 EFADHO CCCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645162523 480724303 /nfs/dbraw/zinc/72/43/03/480724303.db2.gz NKEMYKKMEMYKPR-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CO[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000638453908 480733629 /nfs/dbraw/zinc/73/36/29/480733629.db2.gz BBAGVBKYTJQVCM-WMZOPIPTSA-N 1 3 338.517 2.601 20 0 EFADHO CO[C@@]1(CNCc2cccc(C[NH+]3CCCCCC3)c2)CCOC1 ZINC000638458557 480735574 /nfs/dbraw/zinc/73/55/74/480735574.db2.gz UOXCGMNXJVKQJG-HXUWFJFHSA-N 1 3 332.488 2.958 20 0 EFADHO CN(C)Cc1ccc(F)c(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)c1 ZINC000630501501 480753467 /nfs/dbraw/zinc/75/34/67/480753467.db2.gz UQOLZIBNUPABAT-HXUWFJFHSA-N 1 3 328.431 2.733 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000638503576 480755485 /nfs/dbraw/zinc/75/54/85/480755485.db2.gz SEKCXQQTLQFTLP-DOTOQJQBSA-N 1 3 338.517 2.627 20 0 EFADHO CCCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645307518 480787392 /nfs/dbraw/zinc/78/73/92/480787392.db2.gz AFCQBWUZEAMLIA-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638596057 480791950 /nfs/dbraw/zinc/79/19/50/480791950.db2.gz DWJXFFFZSQVSRI-QGZVFWFLSA-N 1 3 339.568 2.712 20 0 EFADHO C[C@@H](NC(C)(C)C[NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1 ZINC000638602427 480795712 /nfs/dbraw/zinc/79/57/12/480795712.db2.gz UBHYILPSFWVTNL-QGZVFWFLSA-N 1 3 347.547 2.941 20 0 EFADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000632922670 480799690 /nfs/dbraw/zinc/79/96/90/480799690.db2.gz IROXYGXZUDZRGD-HOTGVXAUSA-N 1 3 346.475 2.505 20 0 EFADHO CCCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000645342921 480802722 /nfs/dbraw/zinc/80/27/22/480802722.db2.gz FVTLLIROPCBPJB-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000632937242 480808784 /nfs/dbraw/zinc/80/87/84/480808784.db2.gz BGIYSUIMZCKFMY-INIZCTEOSA-N 1 3 332.492 2.690 20 0 EFADHO CNCc1cccc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000632950847 480818228 /nfs/dbraw/zinc/81/82/28/480818228.db2.gz PBKPGDCAEKTALW-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2)cc1 ZINC000632952136 480818941 /nfs/dbraw/zinc/81/89/41/480818941.db2.gz WRXWTJRRRCVLQV-IBGZPJMESA-N 1 3 338.455 2.850 20 0 EFADHO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 ZINC000632960475 480823927 /nfs/dbraw/zinc/82/39/27/480823927.db2.gz GNKZVRBZYCYEKF-CYBMUJFWSA-N 1 3 342.447 2.814 20 0 EFADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(Cl)c1 ZINC000638699031 480834159 /nfs/dbraw/zinc/83/41/59/480834159.db2.gz QLUYDENJEIMUDP-AWEZNQCLSA-N 1 3 340.895 2.932 20 0 EFADHO CC(C)O[C@H](CNCC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000638738034 480846848 /nfs/dbraw/zinc/84/68/48/480846848.db2.gz IGPBZEFJCIVEIC-LJQANCHMSA-N 1 3 334.504 2.978 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638745814 480850407 /nfs/dbraw/zinc/85/04/07/480850407.db2.gz BEFXZXAYTUNJDD-CMKODMSKSA-N 1 3 341.499 2.955 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638745814 480850412 /nfs/dbraw/zinc/85/04/12/480850412.db2.gz BEFXZXAYTUNJDD-CMKODMSKSA-N 1 3 341.499 2.955 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000645472844 480856183 /nfs/dbraw/zinc/85/61/83/480856183.db2.gz JOOFUCHYNADPNG-MJGOQNOKSA-N 1 3 331.504 2.649 20 0 EFADHO CC(C)[C@@H](N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179288 480857579 /nfs/dbraw/zinc/85/75/79/480857579.db2.gz JJBQPFUYDSMFMU-LJQANCHMSA-N 1 3 327.476 2.968 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645501286 480870047 /nfs/dbraw/zinc/87/00/47/480870047.db2.gz WLKKDAOKCZLZKU-QAPCUYQASA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645501286 480870051 /nfs/dbraw/zinc/87/00/51/480870051.db2.gz WLKKDAOKCZLZKU-QAPCUYQASA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645501285 480870273 /nfs/dbraw/zinc/87/02/73/480870273.db2.gz WLKKDAOKCZLZKU-MAUKXSAKSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645501285 480870280 /nfs/dbraw/zinc/87/02/80/480870280.db2.gz WLKKDAOKCZLZKU-MAUKXSAKSA-N 1 3 329.488 2.533 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc(OC)c(O)cc1Cl ZINC000638876171 480904826 /nfs/dbraw/zinc/90/48/26/480904826.db2.gz DRQKDTPVJVKESH-CYBMUJFWSA-N 1 3 330.856 2.501 20 0 EFADHO CN1CCC(n2cc(NC(=O)CC[C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000638977236 480923938 /nfs/dbraw/zinc/92/39/38/480923938.db2.gz JMGJXCQHEUIDBF-SFHVURJKSA-N 1 3 341.459 2.569 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000639006083 480929012 /nfs/dbraw/zinc/92/90/12/480929012.db2.gz RTJLIWZVPPDEOC-FQEVSTJZSA-N 1 3 335.451 2.603 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000639006245 480929095 /nfs/dbraw/zinc/92/90/95/480929095.db2.gz UCHCKXHIFNJELR-WOJBJXKFSA-N 1 3 337.467 2.776 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)cc1 ZINC000639006084 480929196 /nfs/dbraw/zinc/92/91/96/480929196.db2.gz RTJLIWZVPPDEOC-HXUWFJFHSA-N 1 3 335.451 2.603 20 0 EFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCN1 ZINC000639039115 480933879 /nfs/dbraw/zinc/93/38/79/480933879.db2.gz PYDHIWMQMHUBNV-ZGXWSNOMSA-N 1 3 341.499 2.545 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000647511935 480971216 /nfs/dbraw/zinc/97/12/16/480971216.db2.gz UCIBHGGIXOIHGJ-JCGIZDLHSA-N 1 3 326.444 2.645 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000647511937 480971610 /nfs/dbraw/zinc/97/16/10/480971610.db2.gz UCIBHGGIXOIHGJ-WBAXXEDZSA-N 1 3 326.444 2.645 20 0 EFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000647509997 480971660 /nfs/dbraw/zinc/97/16/60/480971660.db2.gz YXSKRJRHXRDIGC-UHFFFAOYSA-N 1 3 328.460 2.907 20 0 EFADHO CO[C@]1(CO)CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000661389648 480979424 /nfs/dbraw/zinc/97/94/24/480979424.db2.gz MIYXAEVKXHPJFN-HXUWFJFHSA-N 1 3 332.488 2.646 20 0 EFADHO CC(C)O[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000639136968 480980929 /nfs/dbraw/zinc/98/09/29/480980929.db2.gz RLEGPBPDPAXDAD-IBGZPJMESA-N 1 3 333.520 2.768 20 0 EFADHO C[N@H+](CCOCCO)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639142228 480984742 /nfs/dbraw/zinc/98/47/42/480984742.db2.gz WINSIHPQXNDAEL-OAQYLSRUSA-N 1 3 348.531 2.866 20 0 EFADHO C[N@@H+](CCOCCO)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639142228 480984749 /nfs/dbraw/zinc/98/47/49/480984749.db2.gz WINSIHPQXNDAEL-OAQYLSRUSA-N 1 3 348.531 2.866 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCO2 ZINC000647542752 480991207 /nfs/dbraw/zinc/99/12/07/480991207.db2.gz BKEDKSJMDPYRIW-LSDHHAIUSA-N 1 3 332.444 2.636 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc(-c2cccc(F)c2)no1 ZINC000647551576 480997097 /nfs/dbraw/zinc/99/70/97/480997097.db2.gz WGGXTTWCVDCYTL-YYWXWVFPSA-N 1 3 330.407 2.914 20 0 EFADHO CN(CC[NH+]1CCCCC1)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000652989341 481013809 /nfs/dbraw/zinc/01/38/09/481013809.db2.gz CVRVMLCENQENNI-UHFFFAOYSA-N 1 3 338.455 2.805 20 0 EFADHO c1ccc([C@H]2C[C@@H](NCCN3CCCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639176380 481021121 /nfs/dbraw/zinc/02/11/21/481021121.db2.gz WMANDLHVBQIFFL-PZJWPPBQSA-N 1 3 343.515 2.666 20 0 EFADHO c1ccc([C@H]2C[C@@H](NCCN3CCCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639176380 481021127 /nfs/dbraw/zinc/02/11/27/481021127.db2.gz WMANDLHVBQIFFL-PZJWPPBQSA-N 1 3 343.515 2.666 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000641747389 481047362 /nfs/dbraw/zinc/04/73/62/481047362.db2.gz IXHQRCSOXUXMOQ-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C/C=C\C[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641748296 481049483 /nfs/dbraw/zinc/04/94/83/481049483.db2.gz PWQZTWSTUVESTP-XDXAGZTOSA-N 1 3 331.504 2.634 20 0 EFADHO C/C=C\C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641748296 481049486 /nfs/dbraw/zinc/04/94/86/481049486.db2.gz PWQZTWSTUVESTP-XDXAGZTOSA-N 1 3 331.504 2.634 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641774057 481066961 /nfs/dbraw/zinc/06/69/61/481066961.db2.gz BHJVYVSCRQWXJZ-RTBURBONSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641774057 481066964 /nfs/dbraw/zinc/06/69/64/481066964.db2.gz BHJVYVSCRQWXJZ-RTBURBONSA-N 1 3 329.488 2.705 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000653106608 481081618 /nfs/dbraw/zinc/08/16/18/481081618.db2.gz FMKIQZPLBYMMQP-LPHOPBHVSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000666758047 481084185 /nfs/dbraw/zinc/08/41/85/481084185.db2.gz JBBPNSSBSACFPG-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113451 481086674 /nfs/dbraw/zinc/08/66/74/481086674.db2.gz CFMKNZBHPNOIAK-MSOLQXFVSA-N 1 3 347.528 2.607 20 0 EFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653111940 481086767 /nfs/dbraw/zinc/08/67/67/481086767.db2.gz HDSGSRZZLIIWOW-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653111942 481087134 /nfs/dbraw/zinc/08/71/34/481087134.db2.gz HDSGSRZZLIIWOW-RBUKOAKNSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653111941 481087245 /nfs/dbraw/zinc/08/72/45/481087245.db2.gz HDSGSRZZLIIWOW-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113454 481088536 /nfs/dbraw/zinc/08/85/36/481088536.db2.gz CFMKNZBHPNOIAK-ZWKOTPCHSA-N 1 3 347.528 2.607 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653117753 481090326 /nfs/dbraw/zinc/09/03/26/481090326.db2.gz VBFAADGZZSPPPM-WMZOPIPTSA-N 1 3 329.488 2.718 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000653121747 481093734 /nfs/dbraw/zinc/09/37/34/481093734.db2.gz AYRYQDQNZWQFBF-ZMSDIMECSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653123489 481093719 /nfs/dbraw/zinc/09/37/19/481093719.db2.gz ZXKWOVSBMIOGIL-PMACEKPBSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@@H]1c1cccs1 ZINC000653121926 481093821 /nfs/dbraw/zinc/09/38/21/481093821.db2.gz GWIHKXRDHCYACP-XLMAVXFVSA-N 1 3 347.528 2.778 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000646105880 481095364 /nfs/dbraw/zinc/09/53/64/481095364.db2.gz KLUVYFFCJAMCNB-WSTZPKSXSA-N 1 3 329.488 2.627 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000653129094 481097997 /nfs/dbraw/zinc/09/79/97/481097997.db2.gz QBHJOONHXMWSMZ-KGLIPLIRSA-N 1 3 346.349 2.710 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000641834408 481110086 /nfs/dbraw/zinc/11/00/86/481110086.db2.gz ACGOUJSYIZQKDU-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420790 481110143 /nfs/dbraw/zinc/11/01/43/481110143.db2.gz WWQYUBGBLTUDFR-SFHVURJKSA-N 1 3 346.519 2.525 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420456 481110445 /nfs/dbraw/zinc/11/04/45/481110445.db2.gz MLEBTASRGSKNTK-MOPGFXCFSA-N 1 3 346.519 2.715 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000669427434 481117220 /nfs/dbraw/zinc/11/72/20/481117220.db2.gz CEWVLWXNTXJIGE-MOPGFXCFSA-N 1 3 344.503 2.573 20 0 EFADHO CSc1ccccc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000647814355 481121089 /nfs/dbraw/zinc/12/10/89/481121089.db2.gz JZJDODDEVLJIAK-UHFFFAOYSA-N 1 3 333.501 2.954 20 0 EFADHO CSc1ccccc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000647814355 481121100 /nfs/dbraw/zinc/12/11/00/481121100.db2.gz JZJDODDEVLJIAK-UHFFFAOYSA-N 1 3 333.501 2.954 20 0 EFADHO CSc1ccccc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000647814355 481121110 /nfs/dbraw/zinc/12/11/10/481121110.db2.gz JZJDODDEVLJIAK-UHFFFAOYSA-N 1 3 333.501 2.954 20 0 EFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N[C@@H]1CCCc2ccccc21 ZINC000647814648 481122687 /nfs/dbraw/zinc/12/26/87/481122687.db2.gz XPGAPBLJXLSYKO-HXUWFJFHSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N[C@@H]1CCCc2ccccc21 ZINC000647814648 481122691 /nfs/dbraw/zinc/12/26/91/481122691.db2.gz XPGAPBLJXLSYKO-HXUWFJFHSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N[C@@H]1CCCc2ccccc21 ZINC000647814648 481122698 /nfs/dbraw/zinc/12/26/98/481122698.db2.gz XPGAPBLJXLSYKO-HXUWFJFHSA-N 1 3 341.499 2.787 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1C ZINC000639331702 481132914 /nfs/dbraw/zinc/13/29/14/481132914.db2.gz XZOROFXOHMPPPR-AEFFLSMTSA-N 1 3 332.488 2.904 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000669479673 481147999 /nfs/dbraw/zinc/14/79/99/481147999.db2.gz FPWRDOKSBPBRMV-NVXWUHKLSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCOCC[NH3+] ZINC000647874368 481149623 /nfs/dbraw/zinc/14/96/23/481149623.db2.gz OCTQKQYNIHGQOU-INIZCTEOSA-N 1 3 341.455 2.907 20 0 EFADHO CO[C@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359173 481151424 /nfs/dbraw/zinc/15/14/24/481151424.db2.gz IKJMFJZWJHAXBQ-DZFGPLHGSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359173 481151431 /nfs/dbraw/zinc/15/14/31/481151431.db2.gz IKJMFJZWJHAXBQ-DZFGPLHGSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359173 481151438 /nfs/dbraw/zinc/15/14/38/481151438.db2.gz IKJMFJZWJHAXBQ-DZFGPLHGSA-N 1 3 346.515 2.786 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000666857964 481151432 /nfs/dbraw/zinc/15/14/32/481151432.db2.gz RHSZLMHWFHFKSZ-GDBMZVCRSA-N 1 3 337.895 2.809 20 0 EFADHO CC1([NH3+])CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483970 481152435 /nfs/dbraw/zinc/15/24/35/481152435.db2.gz WDXAXWXHFWXXRW-GOSISDBHSA-N 1 3 344.503 2.736 20 0 EFADHO CC1([NH3+])CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483971 481152722 /nfs/dbraw/zinc/15/27/22/481152722.db2.gz WDXAXWXHFWXXRW-SFHVURJKSA-N 1 3 344.503 2.736 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664290425 481153051 /nfs/dbraw/zinc/15/30/51/481153051.db2.gz AUZKIKBGHNLHDA-INIZCTEOSA-N 1 3 332.492 2.990 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664290425 481153062 /nfs/dbraw/zinc/15/30/62/481153062.db2.gz AUZKIKBGHNLHDA-INIZCTEOSA-N 1 3 332.492 2.990 20 0 EFADHO [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483817 481153456 /nfs/dbraw/zinc/15/34/56/481153456.db2.gz NYTGXLQYWYLMFB-OALUTQOASA-N 1 3 344.503 2.736 20 0 EFADHO CN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000669484037 481153531 /nfs/dbraw/zinc/15/35/31/481153531.db2.gz ZLLNEOZPSZPRQH-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483866 481153649 /nfs/dbraw/zinc/15/36/49/481153649.db2.gz PVRVCXSVRVJDJA-PKOBYXMFSA-N 1 3 344.503 2.512 20 0 EFADHO O=C1CC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]2N1 ZINC000661595770 481154249 /nfs/dbraw/zinc/15/42/49/481154249.db2.gz DWTFGDVEDCXLCO-PMACEKPBSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000669491107 481158092 /nfs/dbraw/zinc/15/80/92/481158092.db2.gz MDORXLSGLXTKKY-RTBURBONSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000669491107 481158104 /nfs/dbraw/zinc/15/81/04/481158104.db2.gz MDORXLSGLXTKKY-RTBURBONSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1F)[C@@H](N)c1ccccc1 ZINC000653222514 481159112 /nfs/dbraw/zinc/15/91/12/481159112.db2.gz DLSJVSMNDDPKOG-KRWDZBQOSA-N 1 3 329.419 2.627 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000659024507 481170682 /nfs/dbraw/zinc/17/06/82/481170682.db2.gz FJFQUUFGAMOGAR-UHFFFAOYSA-N 1 3 330.476 2.697 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N2CCC(C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC000669521789 481177576 /nfs/dbraw/zinc/17/75/76/481177576.db2.gz XJIOKQYTRCXBCW-FUHWJXTLSA-N 1 3 344.503 2.562 20 0 EFADHO N[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000653253267 481181530 /nfs/dbraw/zinc/18/15/30/481181530.db2.gz NJPDANSBWCATFC-KRWDZBQOSA-N 1 3 333.501 2.940 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000669528884 481182851 /nfs/dbraw/zinc/18/28/51/481182851.db2.gz PMNFGOVPHCYJJY-AEFFLSMTSA-N 1 3 344.503 2.610 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000669530253 481185033 /nfs/dbraw/zinc/18/50/33/481185033.db2.gz XWIBGAKMYSSIAB-RTBURBONSA-N 1 3 346.519 2.983 20 0 EFADHO CCN1CCC(NC(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000650570127 481187907 /nfs/dbraw/zinc/18/79/07/481187907.db2.gz PMFBKHDATCAMOW-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCC(NC(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000650570127 481187918 /nfs/dbraw/zinc/18/79/18/481187918.db2.gz PMFBKHDATCAMOW-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000653272078 481195376 /nfs/dbraw/zinc/19/53/76/481195376.db2.gz YDJMLHDWXUYIFL-SFHVURJKSA-N 1 3 347.478 2.544 20 0 EFADHO CC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2OC)CC[C@H]1[NH3+] ZINC000647939018 481199654 /nfs/dbraw/zinc/19/96/54/481199654.db2.gz ZEJRZCWWLNJCKV-GXTWGEPZSA-N 1 3 339.867 2.736 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669562531 481208660 /nfs/dbraw/zinc/20/86/60/481208660.db2.gz DMCUWINIBMBBHE-RTBURBONSA-N 1 3 346.519 2.584 20 0 EFADHO Cc1nccn1CCCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661649517 481210549 /nfs/dbraw/zinc/21/05/49/481210549.db2.gz QITHURCMCQWKJP-HXUWFJFHSA-N 1 3 326.488 2.830 20 0 EFADHO Cc1nccn1CCCN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661649517 481210556 /nfs/dbraw/zinc/21/05/56/481210556.db2.gz QITHURCMCQWKJP-HXUWFJFHSA-N 1 3 326.488 2.830 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666952348 481216801 /nfs/dbraw/zinc/21/68/01/481216801.db2.gz SGTRKURSKVNSFI-CQSZACIVSA-N 1 3 325.250 2.689 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965205 481217447 /nfs/dbraw/zinc/21/74/47/481217447.db2.gz LQKAJWZNKINBPL-KZNAEPCWSA-N 1 3 326.525 2.747 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965205 481217453 /nfs/dbraw/zinc/21/74/53/481217453.db2.gz LQKAJWZNKINBPL-KZNAEPCWSA-N 1 3 326.525 2.747 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664394542 481224879 /nfs/dbraw/zinc/22/48/79/481224879.db2.gz BHJCXRDMAUTORT-INIZCTEOSA-N 1 3 332.492 2.990 20 0 EFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647974907 481226337 /nfs/dbraw/zinc/22/63/37/481226337.db2.gz AXJJEHJHZQHCMS-ZWKOTPCHSA-N 1 3 329.488 2.954 20 0 EFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000647975236 481226415 /nfs/dbraw/zinc/22/64/15/481226415.db2.gz RXJYSZLMARJWLK-MSOLQXFVSA-N 1 3 329.488 2.954 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975733 481228614 /nfs/dbraw/zinc/22/86/14/481228614.db2.gz FJNWOGUESRUJEL-BRWVUGGUSA-N 1 3 349.544 2.507 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975650 481228944 /nfs/dbraw/zinc/22/89/44/481228944.db2.gz DCFVKXIOVQRYEB-MWXXRFSMSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647975414 481229197 /nfs/dbraw/zinc/22/91/97/481229197.db2.gz AACFJVLUEDEIHZ-JYJNAYRXSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976194 481230062 /nfs/dbraw/zinc/23/00/62/481230062.db2.gz LHOKLYRYHDJNHF-IHPCNDPISA-N 1 3 343.515 2.711 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976658 481230382 /nfs/dbraw/zinc/23/03/82/481230382.db2.gz RRSMINHUFZLDEJ-FHWLQOOXSA-N 1 3 329.488 2.528 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000647976863 481231907 /nfs/dbraw/zinc/23/19/07/481231907.db2.gz VJAHYKIWYVSKFU-JENIJYKNSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975984 481232105 /nfs/dbraw/zinc/23/21/05/481232105.db2.gz IKRLPAFXONLCKH-OWCLPIDISA-N 1 3 333.451 2.864 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000650644867 481236551 /nfs/dbraw/zinc/23/65/51/481236551.db2.gz ZEMKCIIRQGPGNR-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000650644867 481236555 /nfs/dbraw/zinc/23/65/55/481236555.db2.gz ZEMKCIIRQGPGNR-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995568 481244407 /nfs/dbraw/zinc/24/44/07/481244407.db2.gz SDQBSZMEIPHIPM-ZBFHGGJFSA-N 1 3 331.460 2.677 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666995568 481244414 /nfs/dbraw/zinc/24/44/14/481244414.db2.gz SDQBSZMEIPHIPM-ZBFHGGJFSA-N 1 3 331.460 2.677 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000667038349 481270341 /nfs/dbraw/zinc/27/03/41/481270341.db2.gz KEJSBSXXRQHPON-OAQYLSRUSA-N 1 3 339.483 2.774 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705535 481272670 /nfs/dbraw/zinc/27/26/70/481272670.db2.gz KVKVYFUKEFIKSF-SCTDSRPQSA-N 1 3 348.487 2.812 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408844 481281921 /nfs/dbraw/zinc/28/19/21/481281921.db2.gz NQTHDVSBKFJGEC-CEXWTWQISA-N 1 3 329.488 2.718 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3nccc4ccccc43)CC2)C1 ZINC000667054175 481282189 /nfs/dbraw/zinc/28/21/89/481282189.db2.gz SWDYILLUGLUZNK-YLJYHZDGSA-N 1 3 325.456 2.953 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650717872 481284925 /nfs/dbraw/zinc/28/49/25/481284925.db2.gz POCYVEXSXFEJSU-FOIQADDNSA-N 1 3 327.447 2.895 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650717892 481286793 /nfs/dbraw/zinc/28/67/93/481286793.db2.gz QCVZOVAZIUGCGF-GFCCVEGCSA-N 1 3 333.382 2.930 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000643057505 481302489 /nfs/dbraw/zinc/30/24/89/481302489.db2.gz ICXJXQLRBIWREP-GOSISDBHSA-N 1 3 326.440 2.544 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000643057505 481302495 /nfs/dbraw/zinc/30/24/95/481302495.db2.gz ICXJXQLRBIWREP-GOSISDBHSA-N 1 3 326.440 2.544 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000643076731 481307886 /nfs/dbraw/zinc/30/78/86/481307886.db2.gz KHBSDIPLZIJLSN-ZWKOTPCHSA-N 1 3 329.488 2.548 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000643076731 481307890 /nfs/dbraw/zinc/30/78/90/481307890.db2.gz KHBSDIPLZIJLSN-ZWKOTPCHSA-N 1 3 329.488 2.548 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000643100856 481311867 /nfs/dbraw/zinc/31/18/67/481311867.db2.gz IGBDPBNFRGNURH-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000653541070 481314779 /nfs/dbraw/zinc/31/47/79/481314779.db2.gz BYJKXHDYEAZXBO-LJQANCHMSA-N 1 3 332.488 2.679 20 0 EFADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000653541070 481314788 /nfs/dbraw/zinc/31/47/88/481314788.db2.gz BYJKXHDYEAZXBO-LJQANCHMSA-N 1 3 332.488 2.679 20 0 EFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000646472634 481319227 /nfs/dbraw/zinc/31/92/27/481319227.db2.gz ISHYBRISWYRGDM-CZUORRHYSA-N 1 3 329.444 2.659 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1C(C)(F)F ZINC000653565747 481333053 /nfs/dbraw/zinc/33/30/53/481333053.db2.gz CJJMQMVEEFIJEK-UHFFFAOYSA-N 1 3 342.434 2.755 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659284598 481336663 /nfs/dbraw/zinc/33/66/63/481336663.db2.gz GKYZZCVAMPSKNI-OTWHNJEPSA-N 1 3 341.499 2.764 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643208145 481337886 /nfs/dbraw/zinc/33/78/86/481337886.db2.gz GLBRCCFLQYBXGH-PKOBYXMFSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000643208145 481337891 /nfs/dbraw/zinc/33/78/91/481337891.db2.gz GLBRCCFLQYBXGH-PKOBYXMFSA-N 1 3 346.519 2.631 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659292950 481341332 /nfs/dbraw/zinc/34/13/32/481341332.db2.gz SNLBKYDWYRMORY-PKOBYXMFSA-N 1 3 327.472 2.698 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648151529 481346147 /nfs/dbraw/zinc/34/61/47/481346147.db2.gz OHUYGYADZHOSSM-RDJZCZTQSA-N 1 3 337.895 2.605 20 0 EFADHO CCc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c2ccccc2n1 ZINC000664599947 481361150 /nfs/dbraw/zinc/36/11/50/481361150.db2.gz QBHHZFFZOVPYTL-QGZVFWFLSA-N 1 3 325.456 2.833 20 0 EFADHO CCc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c2ccccc2n1 ZINC000664599947 481361163 /nfs/dbraw/zinc/36/11/63/481361163.db2.gz QBHHZFFZOVPYTL-QGZVFWFLSA-N 1 3 325.456 2.833 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659324375 481362778 /nfs/dbraw/zinc/36/27/78/481362778.db2.gz MYOAUCGOUSAEHK-CZAAIQMYSA-N 1 3 349.478 2.858 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659324375 481362788 /nfs/dbraw/zinc/36/27/88/481362788.db2.gz MYOAUCGOUSAEHK-CZAAIQMYSA-N 1 3 349.478 2.858 20 0 EFADHO NC[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659325814 481363795 /nfs/dbraw/zinc/36/37/95/481363795.db2.gz MZENAPWBBHKMNZ-NQIIRXRSSA-N 1 3 349.478 2.764 20 0 EFADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)CNC ZINC000659357006 481380164 /nfs/dbraw/zinc/38/01/64/481380164.db2.gz CQGDGXBJSWRYHE-UHFFFAOYSA-N 1 3 325.884 2.620 20 0 EFADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659364839 481385074 /nfs/dbraw/zinc/38/50/74/481385074.db2.gz RPCPIEWDBJNWBE-RBUKOAKNSA-N 1 3 337.423 2.521 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000661878394 481387494 /nfs/dbraw/zinc/38/74/94/481387494.db2.gz NLNHGHCCGFOCPL-VQTJNVASSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)CC1 ZINC000661878394 481387505 /nfs/dbraw/zinc/38/75/05/481387505.db2.gz NLNHGHCCGFOCPL-VQTJNVASSA-N 1 3 337.552 2.684 20 0 EFADHO CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000667195668 481391408 /nfs/dbraw/zinc/39/14/08/481391408.db2.gz CCQXMDFPVOXYGD-SJLPKXTDSA-N 1 3 330.476 2.793 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000661898251 481402542 /nfs/dbraw/zinc/40/25/42/481402542.db2.gz OCJNNZQRDVCUHA-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661899601 481403413 /nfs/dbraw/zinc/40/34/13/481403413.db2.gz YCEDXZRRAZWXPC-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646610628 481403963 /nfs/dbraw/zinc/40/39/63/481403963.db2.gz DJCAHSSXORJZQI-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646610628 481403970 /nfs/dbraw/zinc/40/39/70/481403970.db2.gz DJCAHSSXORJZQI-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000646618486 481406819 /nfs/dbraw/zinc/40/68/19/481406819.db2.gz QHEQRAZQXTVDBQ-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646618486 481406823 /nfs/dbraw/zinc/40/68/23/481406823.db2.gz QHEQRAZQXTVDBQ-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO c1cn(-c2ccc(C[N@@H+]3CCCN(c4ccncc4)CC3)cc2)cn1 ZINC000639683214 481425662 /nfs/dbraw/zinc/42/56/62/481425662.db2.gz SBPHFFLJFDOMLU-UHFFFAOYSA-N 1 3 333.439 2.980 20 0 EFADHO c1cn(-c2ccc(C[N@H+]3CCCN(c4ccncc4)CC3)cc2)cn1 ZINC000639683214 481425669 /nfs/dbraw/zinc/42/56/69/481425669.db2.gz SBPHFFLJFDOMLU-UHFFFAOYSA-N 1 3 333.439 2.980 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659427710 481429680 /nfs/dbraw/zinc/42/96/80/481429680.db2.gz RWFMEGIJDCHBQS-KRWDZBQOSA-N 1 3 332.492 2.640 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000659492895 481467908 /nfs/dbraw/zinc/46/79/08/481467908.db2.gz SUVXVZSOUDSPJU-QSOKESPWSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000659491599 481468038 /nfs/dbraw/zinc/46/80/38/481468038.db2.gz BAKZUDWFASZVIZ-RDJZCZTQSA-N 1 3 332.492 2.557 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000659492735 481468682 /nfs/dbraw/zinc/46/86/82/481468682.db2.gz RIKDMEVIZXSUQT-BBRMVZONSA-N 1 3 340.899 2.630 20 0 EFADHO CC(C)(CC[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000643437758 481469324 /nfs/dbraw/zinc/46/93/24/481469324.db2.gz JQGCYPZHMUXBJY-KRWDZBQOSA-N 1 3 332.492 2.640 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[NH2+]C)N(CC)CC)cc1 ZINC000659495120 481471572 /nfs/dbraw/zinc/47/15/72/481471572.db2.gz IVZBSAHSMXXCEX-QAPCUYQASA-N 1 3 334.508 2.539 20 0 EFADHO C[C@@H](NCC1([NH+]2CCSCC2)CCCCC1)c1cnccc1N ZINC000643452421 481474556 /nfs/dbraw/zinc/47/45/56/481474556.db2.gz WLQUMZYQWGYOIT-OAHLLOKOSA-N 1 3 334.533 2.896 20 0 EFADHO FC(F)(F)c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643456689 481476908 /nfs/dbraw/zinc/47/69/08/481476908.db2.gz ZXHLHOBHJDECBD-BRWVUGGUSA-N 1 3 342.405 2.995 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469406 481482275 /nfs/dbraw/zinc/48/22/75/481482275.db2.gz SPMCBTUTQOROBL-APHBMKBZSA-N 1 3 341.293 2.724 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637366437 481483920 /nfs/dbraw/zinc/48/39/20/481483920.db2.gz BZKBJMCZWQBKQT-ROUUACIJSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637366437 481483929 /nfs/dbraw/zinc/48/39/29/481483929.db2.gz BZKBJMCZWQBKQT-ROUUACIJSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662018160 481485533 /nfs/dbraw/zinc/48/55/33/481485533.db2.gz YZGXFEWVHKJKGX-OAQYLSRUSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662018160 481485539 /nfs/dbraw/zinc/48/55/39/481485539.db2.gz YZGXFEWVHKJKGX-OAQYLSRUSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372951 481489461 /nfs/dbraw/zinc/48/94/61/481489461.db2.gz MHNFIQWKQJAOSA-WMZOPIPTSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637371223 481491214 /nfs/dbraw/zinc/49/12/14/481491214.db2.gz YNGZNFVQKXGSEO-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637371223 481491221 /nfs/dbraw/zinc/49/12/21/481491221.db2.gz YNGZNFVQKXGSEO-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC[C@H]21 ZINC000637374541 481492417 /nfs/dbraw/zinc/49/24/17/481492417.db2.gz XXZFRCDMDBGYAZ-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCN3C3CCCCC3)CC[C@H]21 ZINC000637374541 481492421 /nfs/dbraw/zinc/49/24/21/481492421.db2.gz XXZFRCDMDBGYAZ-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000643545930 481502036 /nfs/dbraw/zinc/50/20/36/481502036.db2.gz FUXJRXNTINACDV-SJLPKXTDSA-N 1 3 331.504 2.952 20 0 EFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000648399998 481517481 /nfs/dbraw/zinc/51/74/81/481517481.db2.gz UEQZIIUWDYZGOS-UYAOXDASSA-N 1 3 332.488 2.691 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000637425999 481525663 /nfs/dbraw/zinc/52/56/63/481525663.db2.gz PYBLNTDCVHNFCF-INIZCTEOSA-N 1 3 340.899 2.630 20 0 EFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CCO1 ZINC000648426779 481538126 /nfs/dbraw/zinc/53/81/26/481538126.db2.gz XKICMPUNWSQGOK-LEWJYISDSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000637504098 481573115 /nfs/dbraw/zinc/57/31/15/481573115.db2.gz IMTUATZYBUNAMZ-RTBURBONSA-N 1 3 346.519 2.982 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000637518644 481581476 /nfs/dbraw/zinc/58/14/76/481581476.db2.gz OVKRMFZVGWIXHC-FHLIZLRMSA-N 1 3 332.492 2.579 20 0 EFADHO C[C@@H]1CN(CCN2CCC(C[NH+]3CCCCCC3)CC2)C[C@H](C)O1 ZINC000659837833 481588175 /nfs/dbraw/zinc/58/81/75/481588175.db2.gz IBFORZLLBUPUGH-KDURUIRLSA-N 1 3 337.552 2.684 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659845690 481591270 /nfs/dbraw/zinc/59/12/70/481591270.db2.gz AIDVRAUWIXEHMZ-QZTJIDSGSA-N 1 3 325.541 2.540 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659845690 481591277 /nfs/dbraw/zinc/59/12/77/481591277.db2.gz AIDVRAUWIXEHMZ-QZTJIDSGSA-N 1 3 325.541 2.540 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](C3CCCCC3)C2)CC1 ZINC000662200162 481628261 /nfs/dbraw/zinc/62/82/61/481628261.db2.gz DTQAYUVYGNAMGB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](CCCNC(=O)N(C)CCN1CCCC1)C1CCCCC1 ZINC000651220346 481637985 /nfs/dbraw/zinc/63/79/85/481637985.db2.gz BVFBHWIFHZSVPC-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CC[N@@H+](CCCNC(=O)N(C)CCN1CCCC1)C1CCCCC1 ZINC000651220346 481637996 /nfs/dbraw/zinc/63/79/96/481637996.db2.gz BVFBHWIFHZSVPC-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO Cc1ccc(C(=O)NC2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000639960922 481651187 /nfs/dbraw/zinc/65/11/87/481651187.db2.gz GJFWJYFUXWPLAU-LJQANCHMSA-N 1 3 329.488 2.674 20 0 EFADHO [NH3+]CCCOC1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662248270 481664467 /nfs/dbraw/zinc/66/44/67/481664467.db2.gz XUPFGNBFFPDPHK-UHFFFAOYSA-N 1 3 330.444 2.887 20 0 EFADHO CCN(Cc1cccc2c1CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000662249895 481667342 /nfs/dbraw/zinc/66/73/42/481667342.db2.gz UOZFQHKRKHIRND-GOSISDBHSA-N 1 3 338.451 2.994 20 0 EFADHO CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000662264739 481676577 /nfs/dbraw/zinc/67/65/77/481676577.db2.gz KFTDVLLVKUFECN-ICSRJNTNSA-N 1 3 343.515 2.890 20 0 EFADHO Clc1ccccc1OC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276098 481683609 /nfs/dbraw/zinc/68/36/09/481683609.db2.gz FOEHCWPLGPXUJA-OAHLLOKOSA-N 1 3 336.863 2.704 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279507 481686881 /nfs/dbraw/zinc/68/68/81/481686881.db2.gz KRXOYCOVTVZKSJ-NUJGCVRESA-N 1 3 330.472 2.989 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@H]1CCC2(CNC2)O1 ZINC000662279507 481686884 /nfs/dbraw/zinc/68/68/84/481686884.db2.gz KRXOYCOVTVZKSJ-NUJGCVRESA-N 1 3 330.472 2.989 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659989675 481687567 /nfs/dbraw/zinc/68/75/67/481687567.db2.gz QXTRSVFHHUQMBN-YOEHRIQHSA-N 1 3 333.501 2.763 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659989675 481687572 /nfs/dbraw/zinc/68/75/72/481687572.db2.gz QXTRSVFHHUQMBN-YOEHRIQHSA-N 1 3 333.501 2.763 20 0 EFADHO CO[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@](C)(CO)C1 ZINC000640004476 481687835 /nfs/dbraw/zinc/68/78/35/481687835.db2.gz MWPRHXQDQRSANN-PMACEKPBSA-N 1 3 332.488 2.644 20 0 EFADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000662281985 481688532 /nfs/dbraw/zinc/68/85/32/481688532.db2.gz ALDGVGVWEXMRIH-OAHLLOKOSA-N 1 3 347.528 2.722 20 0 EFADHO CCN(C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000662290253 481690367 /nfs/dbraw/zinc/69/03/67/481690367.db2.gz OBTNDEWHNBXPPB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000648719311 481693725 /nfs/dbraw/zinc/69/37/25/481693725.db2.gz KORNADKXVDFZFM-VAMGGRTRSA-N 1 3 332.488 2.752 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000648719311 481693732 /nfs/dbraw/zinc/69/37/32/481693732.db2.gz KORNADKXVDFZFM-VAMGGRTRSA-N 1 3 332.488 2.752 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000647189719 481694436 /nfs/dbraw/zinc/69/44/36/481694436.db2.gz KMVZKTUYTBILMH-IEBWSBKVSA-N 1 3 332.488 2.825 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000647189718 481695212 /nfs/dbraw/zinc/69/52/12/481695212.db2.gz KMVZKTUYTBILMH-HKUYNNGSSA-N 1 3 332.488 2.825 20 0 EFADHO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000662291817 481695983 /nfs/dbraw/zinc/69/59/83/481695983.db2.gz KUAAQKQDEXACHC-QUCCMNQESA-N 1 3 341.499 2.894 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293038 481697799 /nfs/dbraw/zinc/69/77/99/481697799.db2.gz ITSBKECOUZQXMP-HKUYNNGSSA-N 1 3 327.472 2.652 20 0 EFADHO O[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010111 481699388 /nfs/dbraw/zinc/69/93/88/481699388.db2.gz FVZPAXWBNOOKQN-HBMCJLEFSA-N 1 3 344.499 2.514 20 0 EFADHO O[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010111 481699393 /nfs/dbraw/zinc/69/93/93/481699393.db2.gz FVZPAXWBNOOKQN-HBMCJLEFSA-N 1 3 344.499 2.514 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294822 481700097 /nfs/dbraw/zinc/70/00/97/481700097.db2.gz NYOGJRNNCKUKPQ-QXAKKESOSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295603 481700275 /nfs/dbraw/zinc/70/02/75/481700275.db2.gz HEPYUPWECAIZRG-UYAOXDASSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294190 481701219 /nfs/dbraw/zinc/70/12/19/481701219.db2.gz BVKXQVSQEGMCGZ-MAUKXSAKSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295893 481702415 /nfs/dbraw/zinc/70/24/15/481702415.db2.gz IQGDBFBVFLTXLY-CRAIPNDOSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297214 481702599 /nfs/dbraw/zinc/70/25/99/481702599.db2.gz OLAXDTANFLPXHK-YLJYHZDGSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296142 481703655 /nfs/dbraw/zinc/70/36/55/481703655.db2.gz YACKMQXXQWWSDG-HKUYNNGSSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296736 481703904 /nfs/dbraw/zinc/70/39/04/481703904.db2.gz MIKFIBGCZAEUKC-APWZRJJASA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298632 481706187 /nfs/dbraw/zinc/70/61/87/481706187.db2.gz WKPBEMZIDJPCAT-XLIONFOSSA-N 1 3 343.515 2.918 20 0 EFADHO O=C1[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1 ZINC000662299102 481706322 /nfs/dbraw/zinc/70/63/22/481706322.db2.gz ZQFWGUAVFZBCDC-HKUYNNGSSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313065 481716361 /nfs/dbraw/zinc/71/63/61/481716361.db2.gz HXPOEQNDXITTJF-JFIYKMOQSA-N 1 3 329.488 2.804 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000667658613 481717173 /nfs/dbraw/zinc/71/71/73/481717173.db2.gz KXTGKWAGQBSIGH-YSIASYRMSA-N 1 3 346.519 2.931 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N2CCCC2)cc1 ZINC000648755475 481719081 /nfs/dbraw/zinc/71/90/81/481719081.db2.gz FSLLZWOVJYGLQY-BHIYHBOVSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N2CCCC2)cc1 ZINC000648755475 481719089 /nfs/dbraw/zinc/71/90/89/481719089.db2.gz FSLLZWOVJYGLQY-BHIYHBOVSA-N 1 3 329.488 2.588 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000667663819 481721516 /nfs/dbraw/zinc/72/15/16/481721516.db2.gz XNJBKTMGSSXXQR-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000667663819 481721523 /nfs/dbraw/zinc/72/15/23/481721523.db2.gz XNJBKTMGSSXXQR-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000667663819 481721532 /nfs/dbraw/zinc/72/15/32/481721532.db2.gz XNJBKTMGSSXXQR-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667670978 481724796 /nfs/dbraw/zinc/72/47/96/481724796.db2.gz DLLYUHOSAOKRPA-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000667670978 481724802 /nfs/dbraw/zinc/72/48/02/481724802.db2.gz DLLYUHOSAOKRPA-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000667670978 481724807 /nfs/dbraw/zinc/72/48/07/481724807.db2.gz DLLYUHOSAOKRPA-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000648771611 481729624 /nfs/dbraw/zinc/72/96/24/481729624.db2.gz OWUVJCZFXUOHMZ-ALOPSCKCSA-N 1 3 326.444 2.800 20 0 EFADHO COCc1csc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000667675874 481731655 /nfs/dbraw/zinc/73/16/55/481731655.db2.gz ZKYWCTKZCOOVIA-UHFFFAOYSA-N 1 3 338.517 2.971 20 0 EFADHO CC(=O)NCc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000665235165 481737387 /nfs/dbraw/zinc/73/73/87/481737387.db2.gz QPPBTVXXNSCKJG-SFTDATJTSA-N 1 3 337.467 2.906 20 0 EFADHO C[C@@H](NCc1ccc(CO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647323070 481761647 /nfs/dbraw/zinc/76/16/47/481761647.db2.gz FRWNYKOIHFYIFS-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CCCCC1 ZINC000665276048 481763587 /nfs/dbraw/zinc/76/35/87/481763587.db2.gz XNNLKUXHXNQDET-RCCFBDPRSA-N 1 3 335.536 2.973 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CCCCC1 ZINC000665276045 481764406 /nfs/dbraw/zinc/76/44/06/481764406.db2.gz XNNLKUXHXNQDET-FGTMMUONSA-N 1 3 335.536 2.973 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000667729818 481766025 /nfs/dbraw/zinc/76/60/25/481766025.db2.gz XALQSUULGITQRX-GOSISDBHSA-N 1 3 326.444 2.878 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000644197471 481771188 /nfs/dbraw/zinc/77/11/88/481771188.db2.gz WBILVYJGGHIHTI-QRVBRYPASA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NCCCN1CCc2ccccc2C1 ZINC000662380377 481771169 /nfs/dbraw/zinc/77/11/69/481771169.db2.gz KWNKFFWUYFYELY-KRWDZBQOSA-N 1 3 331.504 2.562 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(CN)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667736819 481773161 /nfs/dbraw/zinc/77/31/61/481773161.db2.gz SMBVTFDWWVRLNU-GDBMZVCRSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(CN)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000667736819 481773166 /nfs/dbraw/zinc/77/31/66/481773166.db2.gz SMBVTFDWWVRLNU-GDBMZVCRSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662386648 481776258 /nfs/dbraw/zinc/77/62/58/481776258.db2.gz LYXQVCZVYJIXPZ-HUUCEWRRSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662386647 481776631 /nfs/dbraw/zinc/77/66/31/481776631.db2.gz LYXQVCZVYJIXPZ-GJZGRUSLSA-N 1 3 349.544 2.882 20 0 EFADHO CC(C)NCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000662387293 481778086 /nfs/dbraw/zinc/77/80/86/481778086.db2.gz RPDGVFUEXPEFGW-IRXDYDNUSA-N 1 3 331.504 2.779 20 0 EFADHO C[C@@H](CCNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCCCC1 ZINC000667745722 481780830 /nfs/dbraw/zinc/78/08/30/481780830.db2.gz SOUYBDBVYUFIHO-HNNXBMFYSA-N 1 3 330.476 2.718 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662403336 481787555 /nfs/dbraw/zinc/78/75/55/481787555.db2.gz UXCCNYJQDSCWKN-GJZGRUSLSA-N 1 3 329.488 2.776 20 0 EFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000648852767 481787905 /nfs/dbraw/zinc/78/79/05/481787905.db2.gz CHXPSZWPNSDALM-JAZQRGJZSA-N 1 3 341.499 2.531 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662403344 481788380 /nfs/dbraw/zinc/78/83/80/481788380.db2.gz VAEXLAGWDBEMAO-CRAIPNDOSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662403344 481788393 /nfs/dbraw/zinc/78/83/93/481788393.db2.gz VAEXLAGWDBEMAO-CRAIPNDOSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662406173 481790134 /nfs/dbraw/zinc/79/01/34/481790134.db2.gz DALWMVUOGRTROB-OLMMMNRUSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662406173 481790137 /nfs/dbraw/zinc/79/01/37/481790137.db2.gz DALWMVUOGRTROB-OLMMMNRUSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662406175 481790406 /nfs/dbraw/zinc/79/04/06/481790406.db2.gz DALWMVUOGRTROB-RCJHGTSTSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662406175 481790409 /nfs/dbraw/zinc/79/04/09/481790409.db2.gz DALWMVUOGRTROB-RCJHGTSTSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000651465110 481792605 /nfs/dbraw/zinc/79/26/05/481792605.db2.gz LGVQRKPYLOYVBP-PMPSAXMXSA-N 1 3 329.488 2.673 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc4c3CNC4)C2)CC1 ZINC000662427315 481799661 /nfs/dbraw/zinc/79/96/61/481799661.db2.gz FUMBKSXMNDMSDV-KRWDZBQOSA-N 1 3 341.499 2.874 20 0 EFADHO CC1(C)CC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC(C)(C)[NH2+]1 ZINC000654346079 481806247 /nfs/dbraw/zinc/80/62/47/481806247.db2.gz JEUOBYXFXCYFHG-HOTGVXAUSA-N 1 3 336.524 2.612 20 0 EFADHO C[N@H+](CCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000651491442 481806941 /nfs/dbraw/zinc/80/69/41/481806941.db2.gz OZUUIYVDPYNAGT-MRXNPFEDSA-N 1 3 340.464 2.508 20 0 EFADHO C[N@@H+](CCCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21)C1CC1 ZINC000651491442 481806950 /nfs/dbraw/zinc/80/69/50/481806950.db2.gz OZUUIYVDPYNAGT-MRXNPFEDSA-N 1 3 340.464 2.508 20 0 EFADHO CC1(C)CC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC(C)(C)[NH2+]1 ZINC000654346078 481807283 /nfs/dbraw/zinc/80/72/83/481807283.db2.gz JEUOBYXFXCYFHG-CVEARBPZSA-N 1 3 336.524 2.612 20 0 EFADHO CC(C)(CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000654351360 481811768 /nfs/dbraw/zinc/81/17/68/481811768.db2.gz ZMRPALMJDPIEBR-IRXDYDNUSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654355313 481815839 /nfs/dbraw/zinc/81/58/39/481815839.db2.gz MKIPAIAYGXCIOU-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654355313 481815835 /nfs/dbraw/zinc/81/58/35/481815835.db2.gz MKIPAIAYGXCIOU-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662464809 481819787 /nfs/dbraw/zinc/81/97/87/481819787.db2.gz SBYHYBFQLINKRV-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000662464809 481819794 /nfs/dbraw/zinc/81/97/94/481819794.db2.gz SBYHYBFQLINKRV-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662462894 481819824 /nfs/dbraw/zinc/81/98/24/481819824.db2.gz POCIXVNOSLFCEL-MSOLQXFVSA-N 1 3 329.488 2.669 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662472703 481824769 /nfs/dbraw/zinc/82/47/69/481824769.db2.gz DQXPDISWMBGESD-IBGZPJMESA-N 1 3 327.472 2.555 20 0 EFADHO C[C@H](CCNC(=O)c1cccc2c1CNC2)[N@H+](C)Cc1ccccc1 ZINC000662488010 481836033 /nfs/dbraw/zinc/83/60/33/481836033.db2.gz WZCQOZBZFVVBAT-MRXNPFEDSA-N 1 3 337.467 2.930 20 0 EFADHO C[C@H](CCNC(=O)c1cccc2c1CNC2)[N@@H+](C)Cc1ccccc1 ZINC000662488010 481836039 /nfs/dbraw/zinc/83/60/39/481836039.db2.gz WZCQOZBZFVVBAT-MRXNPFEDSA-N 1 3 337.467 2.930 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662491881 481837452 /nfs/dbraw/zinc/83/74/52/481837452.db2.gz ADZRUWILUSONJJ-UHFFFAOYSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491233 481838052 /nfs/dbraw/zinc/83/80/52/481838052.db2.gz PYKAQIBVWGNTQS-HRAATJIYSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491233 481838059 /nfs/dbraw/zinc/83/80/59/481838059.db2.gz PYKAQIBVWGNTQS-HRAATJIYSA-N 1 3 349.478 2.930 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000660241332 481852909 /nfs/dbraw/zinc/85/29/09/481852909.db2.gz FUGLKZPJMVBBFT-PMACEKPBSA-N 1 3 333.520 2.504 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000660241332 481852914 /nfs/dbraw/zinc/85/29/14/481852914.db2.gz FUGLKZPJMVBBFT-PMACEKPBSA-N 1 3 333.520 2.504 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000662522258 481857980 /nfs/dbraw/zinc/85/79/80/481857980.db2.gz SCSKWAXZNRHZGX-SLFFLAALSA-N 1 3 343.515 2.730 20 0 EFADHO CN(C)C[C@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(Cl)cc1 ZINC000662531562 481862822 /nfs/dbraw/zinc/86/28/22/481862822.db2.gz HWDAMSBZTUGLJQ-SFHVURJKSA-N 1 3 343.858 2.976 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667934473 481889548 /nfs/dbraw/zinc/88/95/48/481889548.db2.gz LOWDEZZRETXPCE-HSALFYBXSA-N 1 3 341.499 2.790 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000662591560 481890287 /nfs/dbraw/zinc/89/02/87/481890287.db2.gz AMXXSOZABCQUPX-SNRMKQJTSA-N 1 3 329.488 2.561 20 0 EFADHO COC[C@@H](CC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000651693500 481908378 /nfs/dbraw/zinc/90/83/78/481908378.db2.gz QJKPPIUTFHNGMY-GOSISDBHSA-N 1 3 348.535 2.635 20 0 EFADHO [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC2(CCC2)C1 ZINC000662663267 481921345 /nfs/dbraw/zinc/92/13/45/481921345.db2.gz CNZCSYUZBMHVLH-KRWDZBQOSA-N 1 3 327.472 2.601 20 0 EFADHO CCN1CCC(N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662673722 481927068 /nfs/dbraw/zinc/92/70/68/481927068.db2.gz QSDLLFAHBPIZDH-KRWDZBQOSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553076 481930379 /nfs/dbraw/zinc/93/03/79/481930379.db2.gz NHEYSEDZOLEZKK-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553076 481930386 /nfs/dbraw/zinc/93/03/86/481930386.db2.gz NHEYSEDZOLEZKK-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662681648 481931600 /nfs/dbraw/zinc/93/16/00/481931600.db2.gz AIRXKJMGPBKVJH-CALCHBBNSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662681648 481931606 /nfs/dbraw/zinc/93/16/06/481931606.db2.gz AIRXKJMGPBKVJH-CALCHBBNSA-N 1 3 343.515 2.820 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000665556041 481933724 /nfs/dbraw/zinc/93/37/24/481933724.db2.gz PSRXCQCHKDDSGM-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662690578 481935051 /nfs/dbraw/zinc/93/50/51/481935051.db2.gz BHCYLWBIDCPLOA-SFHVURJKSA-N 1 3 341.499 2.676 20 0 EFADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662690578 481935056 /nfs/dbraw/zinc/93/50/56/481935056.db2.gz BHCYLWBIDCPLOA-SFHVURJKSA-N 1 3 341.499 2.676 20 0 EFADHO Cc1ccc([C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000662690857 481935509 /nfs/dbraw/zinc/93/55/09/481935509.db2.gz OMVWMIHYPLTZNL-FQEVSTJZSA-N 1 3 337.467 2.673 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662694717 481936955 /nfs/dbraw/zinc/93/69/55/481936955.db2.gz BMRLTHLRNUNVQM-HOTGVXAUSA-N 1 3 343.515 2.819 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc21 ZINC000662699315 481940198 /nfs/dbraw/zinc/94/01/98/481940198.db2.gz ZTYRCYZVPDGSDI-MOPGFXCFSA-N 1 3 341.499 2.766 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)c1cccc2c1CCNC2 ZINC000662728838 481950649 /nfs/dbraw/zinc/95/06/49/481950649.db2.gz GLLDRNBYTOVDEJ-UHFFFAOYSA-N 1 3 329.488 2.718 20 0 EFADHO Cc1ccc(NC(=O)c2cccc3c2CNC3)c(OCC[NH+](C)C)c1 ZINC000662733188 481953900 /nfs/dbraw/zinc/95/39/00/481953900.db2.gz FHGNYAASVPQAQG-UHFFFAOYSA-N 1 3 339.439 2.791 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H]1c1cccs1 ZINC000662745264 481956699 /nfs/dbraw/zinc/95/66/99/481956699.db2.gz LCTXCJXYWRKJAG-BMFZPTHFSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3c2CCNC3)CC1 ZINC000662752104 481959916 /nfs/dbraw/zinc/95/99/16/481959916.db2.gz PJNYBDGFIVPFAY-UHFFFAOYSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@H](C[NH3+])C(=O)N1CC(C)(C)[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662760450 481961075 /nfs/dbraw/zinc/96/10/75/481961075.db2.gz WMQLCVAIPKWSIB-VQIMIIECSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)CNC(=O)CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448119 481963813 /nfs/dbraw/zinc/96/38/13/481963813.db2.gz NEKDFUSORFEXFR-BGYRXZFFSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)CNC(=O)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000660448119 481963817 /nfs/dbraw/zinc/96/38/17/481963817.db2.gz NEKDFUSORFEXFR-BGYRXZFFSA-N 1 3 343.515 2.603 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cc2)CC1 ZINC000668114897 481983601 /nfs/dbraw/zinc/98/36/01/481983601.db2.gz JBFNLAMXSFXLTI-XLIONFOSSA-N 1 3 330.472 2.817 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000662841169 481992176 /nfs/dbraw/zinc/99/21/76/481992176.db2.gz HWIIAJGFPJEJQA-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(CC)CC ZINC000662867813 481999044 /nfs/dbraw/zinc/99/90/44/481999044.db2.gz MFANPVWSPZGXTK-KURKYZTESA-N 1 3 335.467 2.508 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662887534 482005887 /nfs/dbraw/zinc/00/58/87/482005887.db2.gz ZIPCOHONLFAQPE-SFHVURJKSA-N 1 3 343.515 2.544 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662918829 482012340 /nfs/dbraw/zinc/01/23/40/482012340.db2.gz IFBNMUOVKVRBKY-QZTJIDSGSA-N 1 3 343.515 2.778 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662918829 482012349 /nfs/dbraw/zinc/01/23/49/482012349.db2.gz IFBNMUOVKVRBKY-QZTJIDSGSA-N 1 3 343.515 2.778 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000649287389 482012958 /nfs/dbraw/zinc/01/29/58/482012958.db2.gz ASWCRJKOEBUBSZ-UHFFFAOYSA-N 1 3 331.504 2.794 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668172067 482015296 /nfs/dbraw/zinc/01/52/96/482015296.db2.gz COHHZHMDHGQTPX-YSIASYRMSA-N 1 3 330.472 2.770 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668172067 482015298 /nfs/dbraw/zinc/01/52/98/482015298.db2.gz COHHZHMDHGQTPX-YSIASYRMSA-N 1 3 330.472 2.770 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727230 482016343 /nfs/dbraw/zinc/01/63/43/482016343.db2.gz IEHBYAOPBWJNQT-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727230 482016349 /nfs/dbraw/zinc/01/63/49/482016349.db2.gz IEHBYAOPBWJNQT-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000654728050 482018949 /nfs/dbraw/zinc/01/89/49/482018949.db2.gz ALDYHJYOAOGSPO-QRVBRYPASA-N 1 3 348.535 2.663 20 0 EFADHO COc1ccc(CN2CCC(CNC(=O)CCC(C)(C)[NH3+])CC2)cc1 ZINC000649308930 482023524 /nfs/dbraw/zinc/02/35/24/482023524.db2.gz IFOHMXXSJODTFV-UHFFFAOYSA-N 1 3 347.503 2.541 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654732866 482023986 /nfs/dbraw/zinc/02/39/86/482023986.db2.gz IIVNIEHFFUIZSO-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000649371243 482045544 /nfs/dbraw/zinc/04/55/44/482045544.db2.gz YMXHMIWPBZRETC-BBWFWOEESA-N 1 3 347.503 2.795 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCC(C)(C)[NH3+] ZINC000649377040 482049352 /nfs/dbraw/zinc/04/93/52/482049352.db2.gz KOLDFVPPXXJUKJ-UHFFFAOYSA-N 1 3 332.492 2.664 20 0 EFADHO CN(CCc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000649399921 482060795 /nfs/dbraw/zinc/06/07/95/482060795.db2.gz SKCDMWWERSKEDM-IBGZPJMESA-N 1 3 335.923 2.983 20 0 EFADHO CN(CCc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649399921 482060799 /nfs/dbraw/zinc/06/07/99/482060799.db2.gz SKCDMWWERSKEDM-IBGZPJMESA-N 1 3 335.923 2.983 20 0 EFADHO COCC1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000660636951 482061697 /nfs/dbraw/zinc/06/16/97/482061697.db2.gz WEGQSTBCOUWTJT-UHFFFAOYSA-N 1 3 332.488 2.958 20 0 EFADHO FC(F)(F)c1ccc(CN2CCCN(C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411291 482066315 /nfs/dbraw/zinc/06/63/15/482066315.db2.gz DSDLYFYXGZQZRW-INIZCTEOSA-N 1 3 341.421 2.823 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664756 482081890 /nfs/dbraw/zinc/08/18/90/482081890.db2.gz SNQMMOZBBWXOMO-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664756 482081894 /nfs/dbraw/zinc/08/18/94/482081894.db2.gz SNQMMOZBBWXOMO-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1 ZINC000663155436 482090337 /nfs/dbraw/zinc/09/03/37/482090337.db2.gz IRYAJGWQZICVQA-OAHLLOKOSA-N 1 3 340.349 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652137756 482092570 /nfs/dbraw/zinc/09/25/70/482092570.db2.gz UZZDPCFCYRGJIO-VQIMIIECSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC2(C[NH3+])CC2)N2CCCC2)cc1 ZINC000652142609 482094791 /nfs/dbraw/zinc/09/47/91/482094791.db2.gz WXJWZKATWPVCQA-GOSISDBHSA-N 1 3 344.503 2.560 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000652151344 482099197 /nfs/dbraw/zinc/09/91/97/482099197.db2.gz QRMHOCONHOBLDD-INIZCTEOSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652204345 482125044 /nfs/dbraw/zinc/12/50/44/482125044.db2.gz OQJXRXJVLIYUTL-BJLQDIEVSA-N 1 3 344.503 2.580 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000668490987 482142815 /nfs/dbraw/zinc/14/28/15/482142815.db2.gz YRIJYVMFGWGKGV-LPHOPBHVSA-N 1 3 344.503 2.592 20 0 EFADHO CC[N@@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000660785997 482144176 /nfs/dbraw/zinc/14/41/76/482144176.db2.gz FQUOECCKMVJJGP-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000660785997 482144181 /nfs/dbraw/zinc/14/41/81/482144181.db2.gz FQUOECCKMVJJGP-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)c1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000663316875 482161177 /nfs/dbraw/zinc/16/11/77/482161177.db2.gz GUZVRJCPUUUEOU-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660824041 482165088 /nfs/dbraw/zinc/16/50/88/482165088.db2.gz JMZSZZRYIQXJGY-SJORKVTESA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660824041 482165091 /nfs/dbraw/zinc/16/50/91/482165091.db2.gz JMZSZZRYIQXJGY-SJORKVTESA-N 1 3 336.524 2.567 20 0 EFADHO c1ccc(CN2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)nc1 ZINC000663344530 482171724 /nfs/dbraw/zinc/17/17/24/482171724.db2.gz VEXOGLVBCFVJTG-LJQANCHMSA-N 1 3 342.531 2.758 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345927 482173342 /nfs/dbraw/zinc/17/33/42/482173342.db2.gz OXQDFPJWOIBNCF-KRWDZBQOSA-N 1 3 345.487 2.596 20 0 EFADHO c1csc(N2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)n1 ZINC000663344835 482174055 /nfs/dbraw/zinc/17/40/55/482174055.db2.gz YLKVVQFXXUNULA-INIZCTEOSA-N 1 3 334.533 2.824 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC000666090267 482177383 /nfs/dbraw/zinc/17/73/83/482177383.db2.gz SKCHKNTVFZOYMW-IRXDYDNUSA-N 1 3 347.934 2.955 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088747 482177961 /nfs/dbraw/zinc/17/79/61/482177961.db2.gz PXFWDUDIQUGLHR-QGZVFWFLSA-N 1 3 335.923 2.815 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCCc1nc(-c3ccccc3)no1)C2 ZINC000652351202 482185977 /nfs/dbraw/zinc/18/59/77/482185977.db2.gz MNFWPOCBSWXFNG-LPHOPBHVSA-N 1 3 326.444 2.730 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000652351202 482185981 /nfs/dbraw/zinc/18/59/81/482185981.db2.gz MNFWPOCBSWXFNG-LPHOPBHVSA-N 1 3 326.444 2.730 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCCc1nc(-c3ccccc3)no1)C2 ZINC000652351202 482185987 /nfs/dbraw/zinc/18/59/87/482185987.db2.gz MNFWPOCBSWXFNG-LPHOPBHVSA-N 1 3 326.444 2.730 20 0 EFADHO C[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCN ZINC000652353787 482187145 /nfs/dbraw/zinc/18/71/45/482187145.db2.gz CZHNDXUBLANCTO-RHSMWYFYSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCN ZINC000652353787 482187154 /nfs/dbraw/zinc/18/71/54/482187154.db2.gz CZHNDXUBLANCTO-RHSMWYFYSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000652353787 482187161 /nfs/dbraw/zinc/18/71/61/482187161.db2.gz CZHNDXUBLANCTO-RHSMWYFYSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@H]1CCN ZINC000652353786 482187304 /nfs/dbraw/zinc/18/73/04/482187304.db2.gz CZHNDXUBLANCTO-PBHICJAKSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@H]1CCN ZINC000652353786 482187311 /nfs/dbraw/zinc/18/73/11/482187311.db2.gz CZHNDXUBLANCTO-PBHICJAKSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@@H]1CCCN(CCC(=O)NCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000652353786 482187318 /nfs/dbraw/zinc/18/73/18/482187318.db2.gz CZHNDXUBLANCTO-PBHICJAKSA-N 1 3 337.895 2.796 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CC4(CCC4)C3)CC2)CC1 ZINC000655166671 482191557 /nfs/dbraw/zinc/19/15/57/482191557.db2.gz HKEQPAIHKAHIKK-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO COc1c(C)cnc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652362475 482195377 /nfs/dbraw/zinc/19/53/77/482195377.db2.gz IAWZWIRDBMZFRZ-KBAYOESNSA-N 1 3 333.476 2.568 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668660903 482202923 /nfs/dbraw/zinc/20/29/23/482202923.db2.gz FNWKTRZGWMBFAG-ZWKOTPCHSA-N 1 3 332.492 2.511 20 0 EFADHO CC(C)N(C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000660902081 482208664 /nfs/dbraw/zinc/20/86/64/482208664.db2.gz JDJFMCFUGMSALR-NHCUHLMSSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)N(C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000660902081 482208668 /nfs/dbraw/zinc/20/86/68/482208668.db2.gz JDJFMCFUGMSALR-NHCUHLMSSA-N 1 3 347.547 2.672 20 0 EFADHO Cc1cc(F)c(CNCCCN2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000666259037 482247654 /nfs/dbraw/zinc/24/76/54/482247654.db2.gz MECYHQJPBJHXHB-UHFFFAOYSA-N 1 3 327.875 2.905 20 0 EFADHO Cc1cc(F)c(CNCCCN2CCC[N@H+](C)CC2)c(Cl)c1 ZINC000666259037 482247661 /nfs/dbraw/zinc/24/76/61/482247661.db2.gz MECYHQJPBJHXHB-UHFFFAOYSA-N 1 3 327.875 2.905 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668753846 482247683 /nfs/dbraw/zinc/24/76/83/482247683.db2.gz TZKDHOATUBSZSX-OXJNMPFZSA-N 1 3 325.456 2.805 20 0 EFADHO c1cc(CN2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)ccn1 ZINC000663467653 482254157 /nfs/dbraw/zinc/25/41/57/482254157.db2.gz HAMUYTHLUNDVPW-HXUWFJFHSA-N 1 3 342.531 2.758 20 0 EFADHO OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663469869 482255442 /nfs/dbraw/zinc/25/54/42/482255442.db2.gz RGKWHOHXUQIMFN-QQFBHYJXSA-N 1 3 334.426 2.934 20 0 EFADHO OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CCCN(CC3CC3)C2)CC1 ZINC000663469868 482255690 /nfs/dbraw/zinc/25/56/90/482255690.db2.gz RGKWHOHXUQIMFN-FHERZECASA-N 1 3 334.426 2.934 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655349104 482277625 /nfs/dbraw/zinc/27/76/25/482277625.db2.gz JSNLSHWXPHELPG-VQTJNVASSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655349104 482277629 /nfs/dbraw/zinc/27/76/29/482277629.db2.gz JSNLSHWXPHELPG-VQTJNVASSA-N 1 3 341.499 2.568 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000655352078 482279349 /nfs/dbraw/zinc/27/93/49/482279349.db2.gz WHGKYZNWEPUDQU-IPMKNSEASA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@H](C)C2)CC1 ZINC000649835036 482287876 /nfs/dbraw/zinc/28/78/76/482287876.db2.gz XDMZGNOUFMEIIC-QGZVFWFLSA-N 1 3 343.515 2.637 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000669129434 482385377 /nfs/dbraw/zinc/38/53/77/482385377.db2.gz ZZNLHWYHRAHEGC-HOJAQTOUSA-N 1 3 343.515 2.807 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000130261620 534165841 /nfs/dbraw/zinc/16/58/41/534165841.db2.gz KCZYCSBZJVIAIV-LJQANCHMSA-N 1 3 347.503 2.788 20 0 EFADHO CC(C)(C)c1nc(CN2CCN(CC3CC[NH2+]CC3)CC2)cs1 ZINC000178979170 519096261 /nfs/dbraw/zinc/09/62/61/519096261.db2.gz FRFPVTPSWSSHON-UHFFFAOYSA-N 1 3 336.549 2.558 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@H]21)C(C)C ZINC000183183608 519643117 /nfs/dbraw/zinc/64/31/17/519643117.db2.gz WQICHTQLHGDYHB-ZWKOTPCHSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183128057 519703875 /nfs/dbraw/zinc/70/38/75/519703875.db2.gz KNBSNWBGUFIMLD-SLFFLAALSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128057 519703878 /nfs/dbraw/zinc/70/38/78/519703878.db2.gz KNBSNWBGUFIMLD-SLFFLAALSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128057 519703879 /nfs/dbraw/zinc/70/38/79/519703879.db2.gz KNBSNWBGUFIMLD-SLFFLAALSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245854770 519760474 /nfs/dbraw/zinc/76/04/74/519760474.db2.gz GWGUEFKICPRNMK-BHIYHBOVSA-N 1 3 338.536 2.917 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000356693038 534463795 /nfs/dbraw/zinc/46/37/95/534463795.db2.gz HNFJZDORJVVYEZ-CWFSZBLJSA-N 1 3 331.504 2.889 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000066987449 520230086 /nfs/dbraw/zinc/23/00/86/520230086.db2.gz NWYHRTHPCNGJQA-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000066987449 520230093 /nfs/dbraw/zinc/23/00/93/520230093.db2.gz NWYHRTHPCNGJQA-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000066987492 520231579 /nfs/dbraw/zinc/23/15/79/520231579.db2.gz IHYJOPCTQOBOJR-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000066987492 520231588 /nfs/dbraw/zinc/23/15/88/520231588.db2.gz IHYJOPCTQOBOJR-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(CC)C(=O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057924431 520480526 /nfs/dbraw/zinc/48/05/26/520480526.db2.gz PEPZHSAJOTYBPY-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CCN(CC)C(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057924431 520480534 /nfs/dbraw/zinc/48/05/34/520480534.db2.gz PEPZHSAJOTYBPY-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000191472777 520605463 /nfs/dbraw/zinc/60/54/63/520605463.db2.gz UXZMQDKWVQOIBS-QZTJIDSGSA-N 1 3 325.541 2.540 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000077826492 520673927 /nfs/dbraw/zinc/67/39/27/520673927.db2.gz NYZLWELGUYIDKE-HNNXBMFYSA-N 1 3 338.521 2.526 20 0 EFADHO CCCC[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000154558116 521202304 /nfs/dbraw/zinc/20/23/04/521202304.db2.gz GQZGHEOOXVNWDC-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000154558116 521202316 /nfs/dbraw/zinc/20/23/16/521202316.db2.gz GQZGHEOOXVNWDC-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000236790564 521206879 /nfs/dbraw/zinc/20/68/79/521206879.db2.gz IYVVCYWWNJOLET-AEFFLSMTSA-N 1 3 347.503 2.520 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245930114 521589095 /nfs/dbraw/zinc/58/90/95/521589095.db2.gz YOILHDUOPHQSII-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245930114 521589101 /nfs/dbraw/zinc/58/91/01/521589101.db2.gz YOILHDUOPHQSII-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCC(CC)[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000193247130 521598288 /nfs/dbraw/zinc/59/82/88/521598288.db2.gz NIHFYWONZIUWCK-MRXNPFEDSA-N 1 3 331.504 2.934 20 0 EFADHO CCC1(CC)[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C[C@@H]1OC ZINC000182266596 521694047 /nfs/dbraw/zinc/69/40/47/521694047.db2.gz WZWWRZFCLSNXQH-UFYCRDLUSA-N 1 3 346.515 2.937 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)[C@H](C)C1 ZINC000153717723 521707648 /nfs/dbraw/zinc/70/76/48/521707648.db2.gz RQAFUYCLOLJHKA-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO [NH3+]CC1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCCC1 ZINC000166210099 534584049 /nfs/dbraw/zinc/58/40/49/534584049.db2.gz SIEWIEABFVZYGX-UHFFFAOYSA-N 1 3 335.517 2.595 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000176569597 521721651 /nfs/dbraw/zinc/72/16/51/521721651.db2.gz NMYPMUMBGMFPIB-MSOLQXFVSA-N 1 3 338.540 2.764 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C)C1 ZINC000119470702 521721708 /nfs/dbraw/zinc/72/17/08/521721708.db2.gz WUQQJXNMNSPLCU-RLLQIKCJSA-N 1 3 343.515 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C)C1 ZINC000119470702 521721709 /nfs/dbraw/zinc/72/17/09/521721709.db2.gz WUQQJXNMNSPLCU-RLLQIKCJSA-N 1 3 343.515 2.540 20 0 EFADHO C[NH+](C)CCOCCNCc1ccc(Br)c(Cl)c1 ZINC000234255700 521794605 /nfs/dbraw/zinc/79/46/05/521794605.db2.gz LRPIYZIPJAFBLP-UHFFFAOYSA-N 1 3 335.673 2.770 20 0 EFADHO CN(C)Cc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000068527640 521906476 /nfs/dbraw/zinc/90/64/76/521906476.db2.gz UMUNOHRNXRLQAR-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO [NH3+]CCCCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000178687857 534598191 /nfs/dbraw/zinc/59/81/91/534598191.db2.gz OXWLTUYRXLSTCH-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000178539327 521929119 /nfs/dbraw/zinc/92/91/19/521929119.db2.gz DWYCKYSUXWSDNK-WMZOPIPTSA-N 1 3 330.476 2.696 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000178539327 521929131 /nfs/dbraw/zinc/92/91/31/521929131.db2.gz DWYCKYSUXWSDNK-WMZOPIPTSA-N 1 3 330.476 2.696 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000120666756 524024507 /nfs/dbraw/zinc/02/45/07/524024507.db2.gz KEYJWTOGVLREKN-VQIMIIECSA-N 1 3 332.488 2.922 20 0 EFADHO Cc1ccc(C)c(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341928 524146553 /nfs/dbraw/zinc/14/65/53/524146553.db2.gz LEALTFWNVPTNGA-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO C[C@H]1CCC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000154072100 524192750 /nfs/dbraw/zinc/19/27/50/524192750.db2.gz KKHHMHVQNMMNLT-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000181337065 524297969 /nfs/dbraw/zinc/29/79/69/524297969.db2.gz FVNPXLJIJOQROH-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072027647 524603927 /nfs/dbraw/zinc/60/39/27/524603927.db2.gz KWONXECZBYAHAE-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072027647 524603938 /nfs/dbraw/zinc/60/39/38/524603938.db2.gz KWONXECZBYAHAE-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000181337028 524683409 /nfs/dbraw/zinc/68/34/09/524683409.db2.gz FVNPXLJIJOQROH-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000156366307 524720993 /nfs/dbraw/zinc/72/09/93/524720993.db2.gz MYDIWYZNVQRXEQ-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000156366307 524721001 /nfs/dbraw/zinc/72/10/01/524721001.db2.gz MYDIWYZNVQRXEQ-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO O=C1OCC[C@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000159234769 534813730 /nfs/dbraw/zinc/81/37/30/534813730.db2.gz SCQSEXHVRHZNMB-AABGKKOBSA-N 1 3 342.483 2.926 20 0 EFADHO O=C1OCC[C@H]1CC[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000159234769 534813734 /nfs/dbraw/zinc/81/37/34/534813734.db2.gz SCQSEXHVRHZNMB-AABGKKOBSA-N 1 3 342.483 2.926 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000156504242 524856955 /nfs/dbraw/zinc/85/69/55/524856955.db2.gz IUDFCDWDVVNEHY-RYQLBKOJSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000178859862 524993056 /nfs/dbraw/zinc/99/30/56/524993056.db2.gz ARSBKEKWJKBAKQ-QAPCUYQASA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000178859843 524993474 /nfs/dbraw/zinc/99/34/74/524993474.db2.gz ARSBKEKWJKBAKQ-CRAIPNDOSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000168664215 525025223 /nfs/dbraw/zinc/02/52/23/525025223.db2.gz OAAOIJCVBHKVIY-MNOVXSKESA-N 1 3 330.259 2.991 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263299939 525136712 /nfs/dbraw/zinc/13/67/12/525136712.db2.gz WYBWKNIYKLWKDU-TZIWHRDSSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182384045 525189298 /nfs/dbraw/zinc/18/92/98/525189298.db2.gz XYMVNJRTUIXJQH-HZPDHXFCSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182384045 525189312 /nfs/dbraw/zinc/18/93/12/525189312.db2.gz XYMVNJRTUIXJQH-HZPDHXFCSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1C1CC1 ZINC000177733425 525254551 /nfs/dbraw/zinc/25/45/51/525254551.db2.gz QMHHKHQQYMKQEC-CRAIPNDOSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000263267157 525284578 /nfs/dbraw/zinc/28/45/78/525284578.db2.gz RRLIUNVGOBMPNF-MJGOQNOKSA-N 1 3 349.544 2.984 20 0 EFADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000178620057 534849876 /nfs/dbraw/zinc/84/98/76/534849876.db2.gz JOFMTLVOZGQNGL-QFBILLFUSA-N 1 3 326.488 2.944 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000152437020 525483079 /nfs/dbraw/zinc/48/30/79/525483079.db2.gz MZJUZDKGCGNZTK-CVEARBPZSA-N 1 3 327.472 2.948 20 0 EFADHO COc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000062253058 526013514 /nfs/dbraw/zinc/01/35/14/526013514.db2.gz VCBAEMYSYCJQKD-HOTGVXAUSA-N 1 3 336.476 2.683 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000262934900 526092238 /nfs/dbraw/zinc/09/22/38/526092238.db2.gz IFCXWNLCUWLVEZ-QFBILLFUSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237482324 526094142 /nfs/dbraw/zinc/09/41/42/526094142.db2.gz QFYASNIEULMXSG-OXJNMPFZSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000090028850 526306654 /nfs/dbraw/zinc/30/66/54/526306654.db2.gz FISRGELCYPDNOQ-SXLOBPIMSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262449075 526491996 /nfs/dbraw/zinc/49/19/96/526491996.db2.gz VSQVMCXCJZHWQW-IRFCIJBXSA-N 1 3 341.499 2.720 20 0 EFADHO c1cncc(CN2CCC(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000151174343 526545969 /nfs/dbraw/zinc/54/59/69/526545969.db2.gz PECPMHAJEXWODP-OAQYLSRUSA-N 1 3 342.531 2.900 20 0 EFADHO c1cncc(CN2CCC(N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)c1 ZINC000151174343 526545972 /nfs/dbraw/zinc/54/59/72/526545972.db2.gz PECPMHAJEXWODP-OAQYLSRUSA-N 1 3 342.531 2.900 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418663599 536474779 /nfs/dbraw/zinc/47/47/79/536474779.db2.gz XYWWNMPXELSKAK-GUDVDZBRSA-N 1 3 344.503 2.592 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc(Br)cc3)C[C@H]21 ZINC000228473036 527360400 /nfs/dbraw/zinc/36/04/00/527360400.db2.gz QOSCEVLSTOKOMN-APHBMKBZSA-N 1 3 339.277 2.887 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000180463404 527612065 /nfs/dbraw/zinc/61/20/65/527612065.db2.gz BNIYRLJICJHUPO-QSUVIHHLSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000180463404 527612072 /nfs/dbraw/zinc/61/20/72/527612072.db2.gz BNIYRLJICJHUPO-QSUVIHHLSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000180463404 527612078 /nfs/dbraw/zinc/61/20/78/527612078.db2.gz BNIYRLJICJHUPO-QSUVIHHLSA-N 1 3 326.484 2.814 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000173889331 527819216 /nfs/dbraw/zinc/81/92/16/527819216.db2.gz SSKCWJNQIVEYIP-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000173889331 527819223 /nfs/dbraw/zinc/81/92/23/527819223.db2.gz SSKCWJNQIVEYIP-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129325204 528273524 /nfs/dbraw/zinc/27/35/24/528273524.db2.gz SYYIFOAAOHYNMM-IEBWSBKVSA-N 1 3 346.519 2.663 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000158604617 528776019 /nfs/dbraw/zinc/77/60/19/528776019.db2.gz CIWKWBLNCWUXEY-IEBWSBKVSA-N 1 3 329.488 2.918 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000164606245 528837276 /nfs/dbraw/zinc/83/72/76/528837276.db2.gz IUQDTZLNOFHFFO-FQEVSTJZSA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1 ZINC000164606245 528837281 /nfs/dbraw/zinc/83/72/81/528837281.db2.gz IUQDTZLNOFHFFO-FQEVSTJZSA-N 1 3 339.483 2.713 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495147 529144708 /nfs/dbraw/zinc/14/47/08/529144708.db2.gz GSMAMROYZKWIBL-GOSISDBHSA-N 1 3 349.544 2.849 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154267633 529144738 /nfs/dbraw/zinc/14/47/38/529144738.db2.gz DVZAPQCFNJINJE-ZDUSSCGKSA-N 1 3 329.410 2.782 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154313438 529144961 /nfs/dbraw/zinc/14/49/61/529144961.db2.gz YYNJFJKVYTWVKH-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CC[C@H](CNC(=O)C1([NH3+])CCCCC1)N1CCc2ccccc2C1 ZINC000164953097 529339096 /nfs/dbraw/zinc/33/90/96/529339096.db2.gz NVUDQGDLUFBDJD-GOSISDBHSA-N 1 3 329.488 2.601 20 0 EFADHO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1=O ZINC000421885825 534978247 /nfs/dbraw/zinc/97/82/47/534978247.db2.gz ROPNPRCYVMZZGP-DLBZAZTESA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000346034935 534982519 /nfs/dbraw/zinc/98/25/19/534982519.db2.gz KCYKDLPFZPQZRP-HKUYNNGSSA-N 1 3 348.535 2.782 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000346034937 534983523 /nfs/dbraw/zinc/98/35/23/534983523.db2.gz KCYKDLPFZPQZRP-MJGOQNOKSA-N 1 3 348.535 2.782 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000236763937 535056379 /nfs/dbraw/zinc/05/63/79/535056379.db2.gz SQPIIFJUNBOLLY-BXWFABGCSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343924360 535060487 /nfs/dbraw/zinc/06/04/87/535060487.db2.gz NLGRPVZPPKJUQQ-AZUAARDMSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000343924360 535060488 /nfs/dbraw/zinc/06/04/88/535060488.db2.gz NLGRPVZPPKJUQQ-AZUAARDMSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000356233318 535149615 /nfs/dbraw/zinc/14/96/15/535149615.db2.gz PTBPEEYWAMYBLV-APWZRJJASA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000356226565 535173279 /nfs/dbraw/zinc/17/32/79/535173279.db2.gz TWPPPNRZBMUOEQ-FGTMMUONSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000356226565 535173282 /nfs/dbraw/zinc/17/32/82/535173282.db2.gz TWPPPNRZBMUOEQ-FGTMMUONSA-N 1 3 338.540 2.669 20 0 EFADHO CC(CN1CCC(CCCO)CC1)C[NH+]1CCC(CCCO)CC1 ZINC000360099351 535175385 /nfs/dbraw/zinc/17/53/85/535175385.db2.gz SMCIDSJFWVAWFJ-UHFFFAOYSA-N 1 3 340.552 2.592 20 0 EFADHO CC(C)N1CCc2nc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414786814 535252481 /nfs/dbraw/zinc/25/24/81/535252481.db2.gz UYAJCYODLNQNJQ-CVEARBPZSA-N 1 3 348.560 2.731 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2CC)C1 ZINC000418654944 535264873 /nfs/dbraw/zinc/26/48/73/535264873.db2.gz QESIHSPJBRXJEG-APWZRJJASA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccccc2CC)C1 ZINC000418654944 535264877 /nfs/dbraw/zinc/26/48/77/535264877.db2.gz QESIHSPJBRXJEG-APWZRJJASA-N 1 3 346.519 2.622 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000356722414 535361081 /nfs/dbraw/zinc/36/10/81/535361081.db2.gz CKCWVTRMOQMRGG-RBUKOAKNSA-N 1 3 346.519 2.529 20 0 EFADHO CCCc1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414476895 535432438 /nfs/dbraw/zinc/43/24/38/535432438.db2.gz AFZOIVHTYWEZBG-UHFFFAOYSA-N 1 3 345.531 2.525 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418343340 535454018 /nfs/dbraw/zinc/45/40/18/535454018.db2.gz FNSFWFOSSBXRMP-LJQANCHMSA-N 1 3 346.519 2.841 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347781730 535486849 /nfs/dbraw/zinc/48/68/49/535486849.db2.gz VGWFPXIFEXHGIL-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347781730 535486851 /nfs/dbraw/zinc/48/68/51/535486851.db2.gz VGWFPXIFEXHGIL-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347781719 535507573 /nfs/dbraw/zinc/50/75/73/535507573.db2.gz VGWFPXIFEXHGIL-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347781719 535507579 /nfs/dbraw/zinc/50/75/79/535507579.db2.gz VGWFPXIFEXHGIL-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cn(C)nc2C(C)(C)C)C1 ZINC000342906065 535551159 /nfs/dbraw/zinc/55/11/59/535551159.db2.gz FPRHQRPGOMHFCM-KRWDZBQOSA-N 1 3 336.524 2.650 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000264340633 535552324 /nfs/dbraw/zinc/55/23/24/535552324.db2.gz PTFNTATYRXLDGM-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H](C)NC[C@H]1C ZINC000414783968 535559031 /nfs/dbraw/zinc/55/90/31/535559031.db2.gz IBZUKAOMSBOLNX-JKSUJKDBSA-N 1 3 348.491 2.621 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359164895 535574781 /nfs/dbraw/zinc/57/47/81/535574781.db2.gz GNOWXWIIDLVPJI-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1N(C)C ZINC000349061765 535594769 /nfs/dbraw/zinc/59/47/69/535594769.db2.gz JXVYYLSBSBBJAF-IBGZPJMESA-N 1 3 332.536 2.601 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1N(C)C ZINC000349061765 535594772 /nfs/dbraw/zinc/59/47/72/535594772.db2.gz JXVYYLSBSBBJAF-IBGZPJMESA-N 1 3 332.536 2.601 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000343592362 535606323 /nfs/dbraw/zinc/60/63/23/535606323.db2.gz CQAMGARPLNCPTL-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416834957 535656898 /nfs/dbraw/zinc/65/68/98/535656898.db2.gz FAIZRSGJHPQEQS-QYZOEREBSA-N 1 3 344.503 2.605 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000236884338 535677040 /nfs/dbraw/zinc/67/70/40/535677040.db2.gz FMCANCIFVIXVQJ-QZTJIDSGSA-N 1 3 329.488 2.575 20 0 EFADHO CCN(CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435616102 535705686 /nfs/dbraw/zinc/70/56/86/535705686.db2.gz RHAPKCTXXJWAOX-MRXNPFEDSA-N 1 3 325.403 2.757 20 0 EFADHO CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCNCC1 ZINC000435616102 535705692 /nfs/dbraw/zinc/70/56/92/535705692.db2.gz RHAPKCTXXJWAOX-MRXNPFEDSA-N 1 3 325.403 2.757 20 0 EFADHO CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCCNCC1 ZINC000435616102 535705698 /nfs/dbraw/zinc/70/56/98/535705698.db2.gz RHAPKCTXXJWAOX-MRXNPFEDSA-N 1 3 325.403 2.757 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)C2CCN(C)CC2)CC1)CC1CC1 ZINC000356897549 535713003 /nfs/dbraw/zinc/71/30/03/535713003.db2.gz TVGQRDLDZFTXFM-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)C2CCN(C)CC2)CC1)CC1CC1 ZINC000356897549 535713007 /nfs/dbraw/zinc/71/30/07/535713007.db2.gz TVGQRDLDZFTXFM-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCCN(C)Cc1ccccc1 ZINC000349770551 535717578 /nfs/dbraw/zinc/71/75/78/535717578.db2.gz LZLHIVQDHYRCJY-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342720231 535771617 /nfs/dbraw/zinc/77/16/17/535771617.db2.gz GDEZTKGOEFBXRH-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342720232 535771964 /nfs/dbraw/zinc/77/19/64/535771964.db2.gz GDEZTKGOEFBXRH-SXLOBPIMSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418685123 535772412 /nfs/dbraw/zinc/77/24/12/535772412.db2.gz IDLHAHBOKMUONB-IEBWSBKVSA-N 1 3 346.519 2.667 20 0 EFADHO CN(C)CCN(C(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CCCC1 ZINC000418662096 535843764 /nfs/dbraw/zinc/84/37/64/535843764.db2.gz RWTZQKZHRMATSM-LJQANCHMSA-N 1 3 346.519 2.982 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346285732 535863078 /nfs/dbraw/zinc/86/30/78/535863078.db2.gz MXQAZHZFWCAUOC-NVXWUHKLSA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342622903 535872076 /nfs/dbraw/zinc/87/20/76/535872076.db2.gz FVWPHHJIZFJROA-VQTJNVASSA-N 1 3 345.531 2.848 20 0 EFADHO CN(C)CCN1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356185185 535872276 /nfs/dbraw/zinc/87/22/76/535872276.db2.gz XZDQYVWOXIHKOV-UHFFFAOYSA-N 1 3 327.875 2.637 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000359315234 535889976 /nfs/dbraw/zinc/88/99/76/535889976.db2.gz QTXKMBRAVWMKEW-MOPGFXCFSA-N 1 3 329.488 2.646 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl ZINC000237196539 535907188 /nfs/dbraw/zinc/90/71/88/535907188.db2.gz KKZCIRFHZXASNQ-UHFFFAOYSA-N 1 3 339.867 2.881 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000342430321 535919674 /nfs/dbraw/zinc/91/96/74/535919674.db2.gz QMXLONWHSIWZJR-BHIYHBOVSA-N 1 3 347.503 2.707 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415561712 535931617 /nfs/dbraw/zinc/93/16/17/535931617.db2.gz GNDLEAIPUPDIDS-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418649750 535978061 /nfs/dbraw/zinc/97/80/61/535978061.db2.gz JNTJDQSEJSJFBL-MJGOQNOKSA-N 1 3 344.503 2.519 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000356881181 535994397 /nfs/dbraw/zinc/99/43/97/535994397.db2.gz GRSRHUUZBMJHFK-DLBZAZTESA-N 1 3 326.444 2.901 20 0 EFADHO CN(CCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739229 536339272 /nfs/dbraw/zinc/33/92/72/536339272.db2.gz KVCHYAOOYCJZMI-XUVXKRRUSA-N 1 3 331.504 2.650 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000347528863 536434533 /nfs/dbraw/zinc/43/45/33/536434533.db2.gz TUSIRXSHWWGMAF-SFHVURJKSA-N 1 3 349.478 2.884 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c(c1)CNC2 ZINC000347528863 536434534 /nfs/dbraw/zinc/43/45/34/536434534.db2.gz TUSIRXSHWWGMAF-SFHVURJKSA-N 1 3 349.478 2.884 20 0 EFADHO CO[C@H](CC(C)C)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419197131 536536261 /nfs/dbraw/zinc/53/62/61/536536261.db2.gz XPTPRYGGAFDBNT-JENIJYKNSA-N 1 3 326.525 2.869 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435628057 536572017 /nfs/dbraw/zinc/57/20/17/536572017.db2.gz TXRIBSDBSVLZSP-CQSZACIVSA-N 1 3 339.867 2.751 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695623 536815115 /nfs/dbraw/zinc/81/51/15/536815115.db2.gz GUHNQTSKEHLMJM-JZXOWHBKSA-N 1 3 345.487 2.795 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCC[C@H]3C[NH3+])c2)n1 ZINC000423069257 536850979 /nfs/dbraw/zinc/85/09/79/536850979.db2.gz DKQKBPRLPLPXDZ-GJZGRUSLSA-N 1 3 345.468 2.814 20 0 EFADHO COc1cccc(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000341194297 537113597 /nfs/dbraw/zinc/11/35/97/537113597.db2.gz SLDHFTCMMYKWGS-ZACQAIPSSA-N 1 3 335.492 2.500 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296098336 537694862 /nfs/dbraw/zinc/69/48/62/537694862.db2.gz UHVOTMNUEFOOCY-MRXNPFEDSA-N 1 3 336.911 2.728 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000280222688 545653068 /nfs/dbraw/zinc/65/30/68/545653068.db2.gz UVFFJKMZUPTOAC-QAPCUYQASA-N 1 3 348.487 2.782 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000280222688 545653073 /nfs/dbraw/zinc/65/30/73/545653073.db2.gz UVFFJKMZUPTOAC-QAPCUYQASA-N 1 3 348.487 2.782 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000280222681 545653323 /nfs/dbraw/zinc/65/33/23/545653323.db2.gz UVFFJKMZUPTOAC-MAUKXSAKSA-N 1 3 348.487 2.782 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000280222681 545653325 /nfs/dbraw/zinc/65/33/25/545653325.db2.gz UVFFJKMZUPTOAC-MAUKXSAKSA-N 1 3 348.487 2.782 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281095724 545660343 /nfs/dbraw/zinc/66/03/43/545660343.db2.gz AWBPBSDHXJJJHV-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000289851168 545708678 /nfs/dbraw/zinc/70/86/78/545708678.db2.gz CEYXDJVACIAKTP-ROUUACIJSA-N 1 3 345.487 2.796 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000301438036 545775945 /nfs/dbraw/zinc/77/59/45/545775945.db2.gz NRZVHEMKUKCNSB-SFHVURJKSA-N 1 3 331.504 2.778 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333835431 545894389 /nfs/dbraw/zinc/89/43/89/545894389.db2.gz UEMFTNDVUGVBGU-DLBZAZTESA-N 1 3 336.524 2.602 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000339254004 545925827 /nfs/dbraw/zinc/92/58/27/545925827.db2.gz HSGGLPJXYIURNJ-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000339254004 545925830 /nfs/dbraw/zinc/92/58/30/545925830.db2.gz HSGGLPJXYIURNJ-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339347362 545928179 /nfs/dbraw/zinc/92/81/79/545928179.db2.gz AZRPYNHNFQNNMJ-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339347362 545928184 /nfs/dbraw/zinc/92/81/84/545928184.db2.gz AZRPYNHNFQNNMJ-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339347352 545928350 /nfs/dbraw/zinc/92/83/50/545928350.db2.gz AZRPYNHNFQNNMJ-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339347352 545928352 /nfs/dbraw/zinc/92/83/52/545928352.db2.gz AZRPYNHNFQNNMJ-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341364968 545940657 /nfs/dbraw/zinc/94/06/57/545940657.db2.gz DNLDUXLCZOBCGX-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO C[C@@H](CCN1CCC(CCCO)CC1)[NH+]1CCC(CCCO)CC1 ZINC000360097031 546123030 /nfs/dbraw/zinc/12/30/30/546123030.db2.gz IKKPQQQTZBPCOJ-SFHVURJKSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@@H](CC[NH+]1CCC(CCCO)CC1)N1CCC(CCCO)CC1 ZINC000360097031 546123035 /nfs/dbraw/zinc/12/30/35/546123035.db2.gz IKKPQQQTZBPCOJ-SFHVURJKSA-N 1 3 340.552 2.734 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390915694 546163828 /nfs/dbraw/zinc/16/38/28/546163828.db2.gz FAHYNPDPDYSLTG-SFTDATJTSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390915692 546164096 /nfs/dbraw/zinc/16/40/96/546164096.db2.gz FAHYNPDPDYSLTG-NHCUHLMSSA-N 1 3 345.531 2.740 20 0 EFADHO Oc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000397580630 546170305 /nfs/dbraw/zinc/17/03/05/546170305.db2.gz DZHFSZZMJLFLRJ-UHFFFAOYSA-N 1 3 326.440 2.509 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414925079 546194891 /nfs/dbraw/zinc/19/48/91/546194891.db2.gz KZGVZMBIOIITKW-VNQPRFMTSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414925079 546194896 /nfs/dbraw/zinc/19/48/96/546194896.db2.gz KZGVZMBIOIITKW-VNQPRFMTSA-N 1 3 337.895 2.937 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416837552 546204588 /nfs/dbraw/zinc/20/45/88/546204588.db2.gz HYUQVTUKBXALNG-OKZBNKHCSA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416970318 546205544 /nfs/dbraw/zinc/20/55/44/546205544.db2.gz DXBGMSJPNSNTJE-IEBWSBKVSA-N 1 3 344.503 2.529 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000417353935 546208796 /nfs/dbraw/zinc/20/87/96/546208796.db2.gz KOVVEMVWPACRRT-QRVBRYPASA-N 1 3 344.503 2.701 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418186085 546214032 /nfs/dbraw/zinc/21/40/32/546214032.db2.gz RNOZEGUONWRQHY-CUSZFKRNSA-N 1 3 332.492 2.555 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418186089 546214175 /nfs/dbraw/zinc/21/41/75/546214175.db2.gz RNOZEGUONWRQHY-LHHMISFZSA-N 1 3 332.492 2.555 20 0 EFADHO CC[C@]1(CO)CCCN([C@H](C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460922 546220559 /nfs/dbraw/zinc/22/05/59/546220559.db2.gz NVVVGPHCWNUSCK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CC[C@]1(CO)CCCN([C@H](C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460922 546220562 /nfs/dbraw/zinc/22/05/62/546220562.db2.gz NVVVGPHCWNUSCK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Br)cn1 ZINC000515466398 546298336 /nfs/dbraw/zinc/29/83/36/546298336.db2.gz WARINDGLIJTIFT-JSGCOSHPSA-N 1 3 344.297 2.852 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccccc1 ZINC000655447461 546450900 /nfs/dbraw/zinc/45/09/00/546450900.db2.gz XKBKRMVARZJBEX-KNBMTAEXSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447065 546451241 /nfs/dbraw/zinc/45/12/41/546451241.db2.gz OOPUINQYWXPFEM-BSIFCXSSSA-N 1 3 341.499 2.718 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655680406 546530339 /nfs/dbraw/zinc/53/03/39/546530339.db2.gz MFZJZWHJVQARBD-WOJBJXKFSA-N 1 3 349.494 2.661 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)CC(C)C ZINC000655687378 546532538 /nfs/dbraw/zinc/53/25/38/546532538.db2.gz MXAOUVBEELMEKT-OALUTQOASA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCCCC1 ZINC000655687206 546532549 /nfs/dbraw/zinc/53/25/49/546532549.db2.gz MMJXBSQAXRFHTN-UXHICEINSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCCCC1 ZINC000655687205 546532718 /nfs/dbraw/zinc/53/27/18/546532718.db2.gz MMJXBSQAXRFHTN-PMACEKPBSA-N 1 3 337.552 2.730 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)CC(C)C ZINC000655687379 546532941 /nfs/dbraw/zinc/53/29/41/546532941.db2.gz MXAOUVBEELMEKT-RBUKOAKNSA-N 1 3 325.541 2.586 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655691443 546534615 /nfs/dbraw/zinc/53/46/15/546534615.db2.gz BAMKXAYJUZYWOD-PMACEKPBSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655697425 546538523 /nfs/dbraw/zinc/53/85/23/546538523.db2.gz OXCFHCRXFXKMEA-ZIFCJYIRSA-N 1 3 337.552 2.586 20 0 EFADHO C(C1CCCC1)N1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655703457 546541103 /nfs/dbraw/zinc/54/11/03/546541103.db2.gz GTXTTXFUSOCEMH-OAQYLSRUSA-N 1 3 349.563 2.874 20 0 EFADHO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN1CC1CCCCC1 ZINC000655710654 546544718 /nfs/dbraw/zinc/54/47/18/546544718.db2.gz CTQCRFZKSUCUDF-NHCUHLMSSA-N 1 3 349.563 2.874 20 0 EFADHO c1ccc2c(c1)CCO[C@@H]2CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655731032 546555378 /nfs/dbraw/zinc/55/53/78/546555378.db2.gz UQQZQVJUIUNPNO-AZUAARDMSA-N 1 3 330.472 2.533 20 0 EFADHO C[NH+](C)CCc1ccc(NC2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000655750657 546566195 /nfs/dbraw/zinc/56/61/95/546566195.db2.gz UPOLRCMEPIZBHY-FQEVSTJZSA-N 1 3 331.504 2.846 20 0 EFADHO CCO[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655761673 546570945 /nfs/dbraw/zinc/57/09/45/546570945.db2.gz NHGIIDOKUUABLQ-VQTJNVASSA-N 1 3 332.488 2.997 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655856226 546611656 /nfs/dbraw/zinc/61/16/56/546611656.db2.gz LYKCHPRVYZSCEU-PMACEKPBSA-N 1 3 331.504 2.734 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CCc2noc3ccccc32)C1 ZINC000655942737 546649801 /nfs/dbraw/zinc/64/98/01/546649801.db2.gz YAXQEDSPXDWMIO-LJHODMEESA-N 1 3 329.444 2.731 20 0 EFADHO CN(C)Cc1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000656264441 546756796 /nfs/dbraw/zinc/75/67/96/546756796.db2.gz XMMIBJXOZQFCKA-KRWDZBQOSA-N 1 3 335.467 2.943 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000656699766 546892926 /nfs/dbraw/zinc/89/29/26/546892926.db2.gz GNIJXATZBGGDIO-MRXNPFEDSA-N 1 3 328.884 2.742 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000656699766 546892931 /nfs/dbraw/zinc/89/29/31/546892931.db2.gz GNIJXATZBGGDIO-MRXNPFEDSA-N 1 3 328.884 2.742 20 0 EFADHO COCCOc1ccccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786168 546923950 /nfs/dbraw/zinc/92/39/50/546923950.db2.gz LNRUDDQVLWLKIK-GOSISDBHSA-N 1 3 332.488 2.923 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc(OC)c1OC ZINC000656787062 546924272 /nfs/dbraw/zinc/92/42/72/546924272.db2.gz ZSIPKZUZMKQEBP-KRWDZBQOSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1O ZINC000656787311 546924293 /nfs/dbraw/zinc/92/42/93/546924293.db2.gz XBAFHSVDMHBPLZ-MRXNPFEDSA-N 1 3 334.460 2.621 20 0 EFADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786464 546924378 /nfs/dbraw/zinc/92/43/78/546924378.db2.gz SWTLEGMYYFRJTR-INIZCTEOSA-N 1 3 325.460 2.683 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000657303669 547097792 /nfs/dbraw/zinc/09/77/92/547097792.db2.gz FOAVOZKRIQRFMS-QFBILLFUSA-N 1 3 334.508 2.598 20 0 EFADHO CC(C)C[NH+]1CCC(NC[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000657303669 547097796 /nfs/dbraw/zinc/09/77/96/547097796.db2.gz FOAVOZKRIQRFMS-QFBILLFUSA-N 1 3 334.508 2.598 20 0 EFADHO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000657334317 547115988 /nfs/dbraw/zinc/11/59/88/547115988.db2.gz VUMHBXGWRQMSOD-FQEVSTJZSA-N 1 3 330.472 2.961 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC000657356423 547128164 /nfs/dbraw/zinc/12/81/64/547128164.db2.gz MJCCHKRSSRRMPF-HNNXBMFYSA-N 1 3 346.393 2.754 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC000657356423 547128170 /nfs/dbraw/zinc/12/81/70/547128170.db2.gz MJCCHKRSSRRMPF-HNNXBMFYSA-N 1 3 346.393 2.754 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cccc(F)c2OC(F)F)CC1 ZINC000657387082 547139644 /nfs/dbraw/zinc/13/96/44/547139644.db2.gz PSACTYBXCKIELM-UHFFFAOYSA-N 1 3 345.409 2.543 20 0 EFADHO Cc1c(Br)cncc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000657491853 547183702 /nfs/dbraw/zinc/18/37/02/547183702.db2.gz LJPFLTVARMUAQZ-CYBMUJFWSA-N 1 3 326.282 2.974 20 0 EFADHO Cc1c(Br)cncc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000657491853 547183706 /nfs/dbraw/zinc/18/37/06/547183706.db2.gz LJPFLTVARMUAQZ-CYBMUJFWSA-N 1 3 326.282 2.974 20 0 EFADHO Cn1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc2ccccc21 ZINC000657611949 547228458 /nfs/dbraw/zinc/22/84/58/547228458.db2.gz FWQRYGRJCOHMNM-UHFFFAOYSA-N 1 3 349.482 2.970 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657802447 547288854 /nfs/dbraw/zinc/28/88/54/547288854.db2.gz YKZMVTMJKHHRHV-VNTMZGSJSA-N 1 3 341.499 2.944 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657802447 547288857 /nfs/dbraw/zinc/28/88/57/547288857.db2.gz YKZMVTMJKHHRHV-VNTMZGSJSA-N 1 3 341.499 2.944 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000657837968 547298993 /nfs/dbraw/zinc/29/89/93/547298993.db2.gz LFFCQNHDNYQNRT-QGZVFWFLSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657860595 547305232 /nfs/dbraw/zinc/30/52/32/547305232.db2.gz KUUNEBMJGUJVCG-KRWDZBQOSA-N 1 3 327.476 2.832 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)F)nc1 ZINC000658002914 547333144 /nfs/dbraw/zinc/33/31/44/547333144.db2.gz PTCNJFDPODDVPF-CYBMUJFWSA-N 1 3 326.435 2.696 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccncc2s1 ZINC000658001918 547333300 /nfs/dbraw/zinc/33/33/00/547333300.db2.gz IKGQNXDQBHCSMI-AWEZNQCLSA-N 1 3 332.517 2.973 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000658094587 547354589 /nfs/dbraw/zinc/35/45/89/547354589.db2.gz YTOHRLFOGVXILF-SQNIBIBYSA-N 1 3 325.541 2.586 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@](C)(COCc2ccccc2)OC)[C@@H](C)C1 ZINC000658133350 547366383 /nfs/dbraw/zinc/36/63/83/547366383.db2.gz PXBCOFJHPGKDAM-YSIASYRMSA-N 1 3 334.504 2.928 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@](C)(COCc2ccccc2)OC)[C@@H](C)C1 ZINC000658133350 547366386 /nfs/dbraw/zinc/36/63/86/547366386.db2.gz PXBCOFJHPGKDAM-YSIASYRMSA-N 1 3 334.504 2.928 20 0 EFADHO c1cc(CN2CCC(C[NH2+]C3CCN(CC4CC4)CC3)CC2)ccn1 ZINC000658166353 547378623 /nfs/dbraw/zinc/37/86/23/547378623.db2.gz NYWKLPQVCYAOMQ-UHFFFAOYSA-N 1 3 342.531 2.758 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000658201195 547387760 /nfs/dbraw/zinc/38/77/60/547387760.db2.gz YTBMIRXSVWJVKI-DOTOQJQBSA-N 1 3 334.508 2.833 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000658201195 547387764 /nfs/dbraw/zinc/38/77/64/547387764.db2.gz YTBMIRXSVWJVKI-DOTOQJQBSA-N 1 3 334.508 2.833 20 0 EFADHO C([C@H]1CCCO1)N1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000658231543 547392716 /nfs/dbraw/zinc/39/27/16/547392716.db2.gz VNPOLOOGXLSPBJ-AZUAARDMSA-N 1 3 335.536 2.626 20 0 EFADHO c1nnc([C@H](NCC2CC[NH+](CC3CC3)CC2)c2ccccc2)[nH]1 ZINC000658357648 547425123 /nfs/dbraw/zinc/42/51/23/547425123.db2.gz VBVBDJLEFCNQPZ-GOSISDBHSA-N 1 3 325.460 2.606 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000672884369 547821131 /nfs/dbraw/zinc/82/11/31/547821131.db2.gz FEHKEBZLMIBOLN-FCEWJHQRSA-N 1 3 346.519 2.707 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000672942877 547832837 /nfs/dbraw/zinc/83/28/37/547832837.db2.gz NXQMZXPLHOXUNC-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000672942308 547832890 /nfs/dbraw/zinc/83/28/90/547832890.db2.gz CSDUPFNWUUDQGA-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673651072 547926790 /nfs/dbraw/zinc/92/67/90/547926790.db2.gz LDVAVOVLOFTMBQ-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673651072 547926794 /nfs/dbraw/zinc/92/67/94/547926794.db2.gz LDVAVOVLOFTMBQ-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO c1cnn(-c2ccccc2CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674676620 548122370 /nfs/dbraw/zinc/12/23/70/548122370.db2.gz UVRPHOOTEPSYDK-LJQANCHMSA-N 1 3 340.471 2.605 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000675159225 548214395 /nfs/dbraw/zinc/21/43/95/548214395.db2.gz CVVMHHKHTMRPTA-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000675177882 548219748 /nfs/dbraw/zinc/21/97/48/548219748.db2.gz RCQGFCPNDHPGEN-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000675177882 548219751 /nfs/dbraw/zinc/21/97/51/548219751.db2.gz RCQGFCPNDHPGEN-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000675188799 548223960 /nfs/dbraw/zinc/22/39/60/548223960.db2.gz PMHRDDJWKQFEQF-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000675871392 548366281 /nfs/dbraw/zinc/36/62/81/548366281.db2.gz DUZWSSALSVLIOC-DYESRHJHSA-N 1 3 343.515 2.831 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)[C@H](C)C1 ZINC000675916505 548375273 /nfs/dbraw/zinc/37/52/73/548375273.db2.gz ZVSMQKNCIUVIOG-FIYPYCPBSA-N 1 3 335.536 2.876 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC(C(C)C)C(C)C ZINC000676297726 548446439 /nfs/dbraw/zinc/44/64/39/548446439.db2.gz ADBSZMRWLLLZKM-KRWDZBQOSA-N 1 3 340.556 2.725 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC(C(C)C)C(C)C ZINC000676297726 548446441 /nfs/dbraw/zinc/44/64/41/548446441.db2.gz ADBSZMRWLLLZKM-KRWDZBQOSA-N 1 3 340.556 2.725 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccccc1C[N@@H+]1CCCOC[C@H]1C ZINC000677896434 548789927 /nfs/dbraw/zinc/78/99/27/548789927.db2.gz RQMLTTKRTVGMMJ-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccccc1C[N@H+]1CCCOC[C@H]1C ZINC000677896434 548789929 /nfs/dbraw/zinc/78/99/29/548789929.db2.gz RQMLTTKRTVGMMJ-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO COc1cc(CN(C)Cc2ccc(OCC[NH+](C)C)cc2)ccc1O ZINC000678134023 548849021 /nfs/dbraw/zinc/84/90/21/548849021.db2.gz QRZNDHLHZDLYIY-UHFFFAOYSA-N 1 3 344.455 2.973 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1CCOc2ccccc21 ZINC000678340403 548902531 /nfs/dbraw/zinc/90/25/31/548902531.db2.gz UOXYTEBENZQVCM-QXOCSCLMSA-N 1 3 330.472 2.736 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000678339495 548903002 /nfs/dbraw/zinc/90/30/02/548903002.db2.gz NNIXBCNTKTXPRF-LPHOPBHVSA-N 1 3 337.471 2.716 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000678339495 548903005 /nfs/dbraw/zinc/90/30/05/548903005.db2.gz NNIXBCNTKTXPRF-LPHOPBHVSA-N 1 3 337.471 2.716 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](Nc3ncncc3-c3ccccc3)C2)CC1 ZINC000678717177 548976582 /nfs/dbraw/zinc/97/65/82/548976582.db2.gz ILOWUWOOZQQKFN-KRWDZBQOSA-N 1 3 337.471 2.724 20 0 EFADHO C[C@H](CCc1ccccc1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678828144 548997099 /nfs/dbraw/zinc/99/70/99/548997099.db2.gz VUGFKMAWHPOFPR-TZIWHRDSSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@H](CCc1ccccc1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678828144 548997102 /nfs/dbraw/zinc/99/71/02/548997102.db2.gz VUGFKMAWHPOFPR-TZIWHRDSSA-N 1 3 329.532 2.967 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(C(C)(C)CO)CC1 ZINC000679191260 549071497 /nfs/dbraw/zinc/07/14/97/549071497.db2.gz LUYGFIGPAHAAIH-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO C[C@H](O)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679628870 549160824 /nfs/dbraw/zinc/16/08/24/549160824.db2.gz MYYYOCSBSXITPD-HKUYNNGSSA-N 1 3 332.488 2.754 20 0 EFADHO C[C@H](O)[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679628876 549160911 /nfs/dbraw/zinc/16/09/11/549160911.db2.gz MYYYOCSBSXITPD-PKOBYXMFSA-N 1 3 332.488 2.754 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681389646 549524912 /nfs/dbraw/zinc/52/49/12/549524912.db2.gz RCWFUWKHVPKSGU-DZFGPLHGSA-N 1 3 327.516 2.971 20 0 EFADHO COC1CCN(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000681393011 549526227 /nfs/dbraw/zinc/52/62/27/549526227.db2.gz YMFOHZGLGHGYAH-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000681393011 549526230 /nfs/dbraw/zinc/52/62/30/549526230.db2.gz YMFOHZGLGHGYAH-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000681393011 549526235 /nfs/dbraw/zinc/52/62/35/549526235.db2.gz YMFOHZGLGHGYAH-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000681399514 549526823 /nfs/dbraw/zinc/52/68/23/549526823.db2.gz WOYBNDYMDMXQFO-AUUYWEPGSA-N 1 3 330.451 2.969 20 0 EFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CN1C ZINC000681491446 549547733 /nfs/dbraw/zinc/54/77/33/549547733.db2.gz IZJKPHTWIIQCSZ-MSOLQXFVSA-N 1 3 331.504 2.686 20 0 EFADHO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(OCCN(C)C)cc2)cc1 ZINC000682420633 549736749 /nfs/dbraw/zinc/73/67/49/549736749.db2.gz JPXYCELQZVIBGX-HXUWFJFHSA-N 1 3 342.483 2.629 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCCn1ccccc1=O ZINC000682533260 549760008 /nfs/dbraw/zinc/76/00/08/549760008.db2.gz CKOFAZJHOGTEPI-QZTJIDSGSA-N 1 3 339.483 2.595 20 0 EFADHO CN1CCC[N@H+](CCCNCc2nc3ccc(F)cc3s2)CC1 ZINC000683202821 549863075 /nfs/dbraw/zinc/86/30/75/549863075.db2.gz WRCVSJFQXPVDKI-UHFFFAOYSA-N 1 3 336.480 2.553 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2nc3ccc(F)cc3s2)CC1 ZINC000683202821 549863078 /nfs/dbraw/zinc/86/30/78/549863078.db2.gz WRCVSJFQXPVDKI-UHFFFAOYSA-N 1 3 336.480 2.553 20 0 EFADHO C[N@@H+]1CCCN(CCCNCc2nc3ccc(F)cc3s2)CC1 ZINC000683202821 549863080 /nfs/dbraw/zinc/86/30/80/549863080.db2.gz WRCVSJFQXPVDKI-UHFFFAOYSA-N 1 3 336.480 2.553 20 0 EFADHO C[N@H+]1CCCN(CCCNCc2nc3ccc(F)cc3s2)CC1 ZINC000683202821 549863082 /nfs/dbraw/zinc/86/30/82/549863082.db2.gz WRCVSJFQXPVDKI-UHFFFAOYSA-N 1 3 336.480 2.553 20 0 EFADHO CCOc1c(Cl)cccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000683768318 549943119 /nfs/dbraw/zinc/94/31/19/549943119.db2.gz AHGRKGPBDNBQIU-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO CCOc1c(Cl)cccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000683768318 549943120 /nfs/dbraw/zinc/94/31/20/549943120.db2.gz AHGRKGPBDNBQIU-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO CO[C@@H](c1ccccc1)[C@H](C)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000683815390 549949539 /nfs/dbraw/zinc/94/95/39/549949539.db2.gz DNOMGDPHUMYTDI-LAUBAEHRSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@@H](NCc1ccncc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684963394 550119095 /nfs/dbraw/zinc/11/90/95/550119095.db2.gz SCDHPAZRVYZXDI-GFCCVEGCSA-N 1 3 331.382 2.843 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1CCOc2ccccc21 ZINC000685455880 550153505 /nfs/dbraw/zinc/15/35/05/550153505.db2.gz AHMYDEXHLUYEST-RTBURBONSA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C[C@H]1CCOc2ccccc21 ZINC000685455880 550153508 /nfs/dbraw/zinc/15/35/08/550153508.db2.gz AHMYDEXHLUYEST-RTBURBONSA-N 1 3 345.531 2.901 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1C1CC1 ZINC000753940832 575363649 /nfs/dbraw/zinc/36/36/49/575363649.db2.gz OCFKJGPVPZHFHK-RZZCCWGQSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1C1CC1 ZINC000753940829 575363766 /nfs/dbraw/zinc/36/37/66/575363766.db2.gz OCFKJGPVPZHFHK-PBHCIXSXSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1C1CC1 ZINC000753944493 575364340 /nfs/dbraw/zinc/36/43/40/575364340.db2.gz BDEAVCUARNEOES-CRAIPNDOSA-N 1 3 344.503 2.515 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(Cn3cnc4cc(F)c(F)cc43)C2)CC1 ZINC000755782007 575633481 /nfs/dbraw/zinc/63/34/81/575633481.db2.gz XATBGVQTMGUHHE-AWEZNQCLSA-N 1 3 334.414 2.936 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000757727368 575851727 /nfs/dbraw/zinc/85/17/27/575851727.db2.gz HIRRRJHSFCXOOY-BOMAWHNGSA-N 1 3 348.535 2.565 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964140 575963677 /nfs/dbraw/zinc/96/36/77/575963677.db2.gz DFLZMGOKMAMRFH-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964140 575963678 /nfs/dbraw/zinc/96/36/78/575963678.db2.gz DFLZMGOKMAMRFH-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964140 575963679 /nfs/dbraw/zinc/96/36/79/575963679.db2.gz DFLZMGOKMAMRFH-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO C[NH+]1CCC(CNC(=S)Nc2cnccc2N2CCCCC2)CC1 ZINC000760482253 576031522 /nfs/dbraw/zinc/03/15/22/576031522.db2.gz AWBAHYCUFUSUEH-UHFFFAOYSA-N 1 3 347.532 2.700 20 0 EFADHO CN(C)CCN(Cc1cccc(O)c1)C(=O)CCCC[NH+]1CCCC1 ZINC000761965589 576234561 /nfs/dbraw/zinc/23/45/61/576234561.db2.gz QPNRZQCWMZEQHT-UHFFFAOYSA-N 1 3 347.503 2.549 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(OC(C)=O)cc2)C1 ZINC000762636114 576320299 /nfs/dbraw/zinc/32/02/99/576320299.db2.gz RDWCDEBUOCEQKU-LJQANCHMSA-N 1 3 334.460 2.545 20 0 EFADHO CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000764462901 576460379 /nfs/dbraw/zinc/46/03/79/576460379.db2.gz HHLJHPCZWYFFPK-PXNSSMCTSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)N(CC[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000764589445 576475992 /nfs/dbraw/zinc/47/59/92/576475992.db2.gz LUHWJDNESQVAIZ-TZIWHRDSSA-N 1 3 347.547 2.984 20 0 EFADHO c1ccn2c(c1)nnc2CC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000764640780 576483674 /nfs/dbraw/zinc/48/36/74/576483674.db2.gz UINGZTHQBMYQKA-UHFFFAOYSA-N 1 3 327.476 2.659 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764921486 576523516 /nfs/dbraw/zinc/52/35/16/576523516.db2.gz QFXMRTHQMIVORN-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000765947915 577091172 /nfs/dbraw/zinc/09/11/72/577091172.db2.gz XSEMTUBTLOJKRL-PKOBYXMFSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCNc3ncccn3)CC2)C1 ZINC000766517241 577160763 /nfs/dbraw/zinc/16/07/63/577160763.db2.gz MHSKPWIZRAFUAD-WMZOPIPTSA-N 1 3 331.508 2.911 20 0 EFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCNc3ncccn3)CC2)C1 ZINC000766517241 577160765 /nfs/dbraw/zinc/16/07/65/577160765.db2.gz MHSKPWIZRAFUAD-WMZOPIPTSA-N 1 3 331.508 2.911 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000768941201 577318828 /nfs/dbraw/zinc/31/88/28/577318828.db2.gz QHRWSRNXKYIJJZ-GOSISDBHSA-N 1 3 342.487 2.740 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000768941201 577318829 /nfs/dbraw/zinc/31/88/29/577318829.db2.gz QHRWSRNXKYIJJZ-GOSISDBHSA-N 1 3 342.487 2.740 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000771259476 581193747 /nfs/dbraw/zinc/19/37/47/581193747.db2.gz QEUWDWVULICYBB-UHFFFAOYSA-N 1 3 344.503 2.631 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000772875658 581376844 /nfs/dbraw/zinc/37/68/44/581376844.db2.gz UJWQQOIINRFQIA-UGUYLWEFSA-N 1 3 344.446 2.960 20 0 EFADHO C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825858927 608377825 /nfs/dbraw/zinc/37/78/25/608377825.db2.gz AWKTTYCIUPTMDV-UHFFFAOYSA-N 1 3 346.454 2.560 20 0 EFADHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000825452485 609146536 /nfs/dbraw/zinc/14/65/36/609146536.db2.gz PCVSVWQORIOONK-ZDUSSCGKSA-N 1 3 346.454 2.778 20 0 EFADHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000825452485 609146537 /nfs/dbraw/zinc/14/65/37/609146537.db2.gz PCVSVWQORIOONK-ZDUSSCGKSA-N 1 3 346.454 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001167836318 1249691303 /nfs/dbraw/zinc/69/13/03/1249691303.db2.gz TYFUHGUQNMFVCT-UHFFFAOYSA-N 1 3 336.307 2.523 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC000981957540 1249739079 /nfs/dbraw/zinc/73/90/79/1249739079.db2.gz LCINQINMNVLXOW-GOSISDBHSA-N 1 3 333.520 2.753 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC000981957540 1249739094 /nfs/dbraw/zinc/73/90/94/1249739094.db2.gz LCINQINMNVLXOW-GOSISDBHSA-N 1 3 333.520 2.753 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001211713787 1249918468 /nfs/dbraw/zinc/91/84/68/1249918468.db2.gz UEYLVWUMUQMDFU-IHNWGIHHSA-N 1 3 349.906 2.665 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172222 1250195406 /nfs/dbraw/zinc/19/54/06/1250195406.db2.gz UZVPJRJLNLRQAL-UZLBHIALSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172222 1250195413 /nfs/dbraw/zinc/19/54/13/1250195413.db2.gz UZVPJRJLNLRQAL-UZLBHIALSA-N 1 3 337.467 2.786 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929027 1250348909 /nfs/dbraw/zinc/34/89/09/1250348909.db2.gz KLNVFSGBLRQASO-STQMWFEESA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929027 1250348923 /nfs/dbraw/zinc/34/89/23/1250348923.db2.gz KLNVFSGBLRQASO-STQMWFEESA-N 1 3 347.286 2.665 20 0 EFADHO CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)CN(C)C1CCC1 ZINC001754050478 1248050609 /nfs/dbraw/zinc/05/06/09/1248050609.db2.gz ZPWINUIIOPSZRQ-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]CC[C@H](C)N2CCCCC2)CC1 ZINC000850459911 1250493761 /nfs/dbraw/zinc/49/37/61/1250493761.db2.gz JVXFGFBGKOZHOX-GTPINHCMSA-N 1 3 325.497 2.898 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000704459082 1250859664 /nfs/dbraw/zinc/85/96/64/1250859664.db2.gz OAIPAVIYTLFQHT-ZCNNSNEGSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000704459082 1250859672 /nfs/dbraw/zinc/85/96/72/1250859672.db2.gz OAIPAVIYTLFQHT-ZCNNSNEGSA-N 1 3 343.515 2.730 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3NCCc4ccccc43)cc21 ZINC000851636262 1251155213 /nfs/dbraw/zinc/15/52/13/1251155213.db2.gz QNOFWDRWYVGBRY-RXVVDRJESA-N 1 3 349.478 2.682 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC001029970028 1251399220 /nfs/dbraw/zinc/39/92/20/1251399220.db2.gz IQLNLQRLAJJYJT-SFHVURJKSA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC001029970028 1251399234 /nfs/dbraw/zinc/39/92/34/1251399234.db2.gz IQLNLQRLAJJYJT-SFHVURJKSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722504970 1251428008 /nfs/dbraw/zinc/42/80/08/1251428008.db2.gz UWYHSYTXCYSDCQ-QRQLOZEOSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC1CCC1 ZINC001752902177 1251943912 /nfs/dbraw/zinc/94/39/12/1251943912.db2.gz XFXFVKKFPLTPEY-DNVCBOLYSA-N 1 3 341.515 2.874 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089401943 1252048440 /nfs/dbraw/zinc/04/84/40/1252048440.db2.gz ZRBSCCDLAFELKK-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089401943 1252048451 /nfs/dbraw/zinc/04/84/51/1252048451.db2.gz ZRBSCCDLAFELKK-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001203454942 1252079495 /nfs/dbraw/zinc/07/94/95/1252079495.db2.gz BDFCEEVULITBPM-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339657 1252424796 /nfs/dbraw/zinc/42/47/96/1252424796.db2.gz ZAGSFCZIRZBVJL-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001484414726 1252564334 /nfs/dbraw/zinc/56/43/34/1252564334.db2.gz ZVQKUPJGYWVAGQ-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1 ZINC001484414726 1252564341 /nfs/dbraw/zinc/56/43/41/1252564341.db2.gz ZVQKUPJGYWVAGQ-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001484472778 1252697491 /nfs/dbraw/zinc/69/74/91/1252697491.db2.gz RHWMNXSORNZKAM-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001484472778 1252697501 /nfs/dbraw/zinc/69/75/01/1252697501.db2.gz RHWMNXSORNZKAM-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)CC1)N(C)C ZINC001484723553 1252807107 /nfs/dbraw/zinc/80/71/07/1252807107.db2.gz ILFWNNRUVFKYJH-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)CC1)N(C)C ZINC001484723553 1252807115 /nfs/dbraw/zinc/80/71/15/1252807115.db2.gz ILFWNNRUVFKYJH-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC001484746989 1252865263 /nfs/dbraw/zinc/86/52/63/1252865263.db2.gz BSIIZXXJNCUIFV-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)cc1 ZINC001484746989 1252865271 /nfs/dbraw/zinc/86/52/71/1252865271.db2.gz BSIIZXXJNCUIFV-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CC1 ZINC000995892855 1254815426 /nfs/dbraw/zinc/81/54/26/1254815426.db2.gz GITGZEDRIHONCJ-DLBZAZTESA-N 1 3 335.536 2.589 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)cs1 ZINC000995892305 1254815698 /nfs/dbraw/zinc/81/56/98/1254815698.db2.gz FZUFGHUFUYZDBH-DLBZAZTESA-N 1 3 349.544 2.723 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)c1 ZINC000995892970 1254815893 /nfs/dbraw/zinc/81/58/93/1254815893.db2.gz GPNBCTINLDHGCN-MOPGFXCFSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CC1 ZINC000995897438 1254821282 /nfs/dbraw/zinc/82/12/82/1254821282.db2.gz REUDJKANCFWEHJ-MSOLQXFVSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995896610 1254822174 /nfs/dbraw/zinc/82/21/74/1254822174.db2.gz PFVGRAPXGLDOAY-OALUTQOASA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)CCC1 ZINC000995887475 1254834366 /nfs/dbraw/zinc/83/43/66/1254834366.db2.gz PJMJDWPNZNWWGS-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995888105 1254837921 /nfs/dbraw/zinc/83/79/21/1254837921.db2.gz RPTSKXIVAQHULD-SFHVURJKSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)CCC1 ZINC000995890489 1254838764 /nfs/dbraw/zinc/83/87/64/1254838764.db2.gz BJAIRIQIUZERDS-QGZVFWFLSA-N 1 3 333.520 2.798 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1)C1CCC1 ZINC000995918603 1254841863 /nfs/dbraw/zinc/84/18/63/1254841863.db2.gz OEIPPNVACSEYTL-IBGZPJMESA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)CC2(C)C)c1 ZINC000995924628 1254845596 /nfs/dbraw/zinc/84/55/96/1254845596.db2.gz IJLIGULJRKJHPM-OALUTQOASA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000995928026 1254847575 /nfs/dbraw/zinc/84/75/75/1254847575.db2.gz RYFIEZMICOJYBF-ROUUACIJSA-N 1 3 349.563 2.980 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C(C)(C)C1)N(C)C ZINC000995946149 1254861022 /nfs/dbraw/zinc/86/10/22/1254861022.db2.gz GOCVDFHXTIYICD-MSOLQXFVSA-N 1 3 349.494 2.535 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1)N(C)C ZINC000995949162 1254863528 /nfs/dbraw/zinc/86/35/28/1254863528.db2.gz LQXQLFKAZGILHP-QZTJIDSGSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C(C)(C)C1)N(C)C ZINC000995955043 1254883173 /nfs/dbraw/zinc/88/31/73/1254883173.db2.gz ZVNGSZORCXUMMB-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)(C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)N1CCCC1 ZINC000996124568 1255028971 /nfs/dbraw/zinc/02/89/71/1255028971.db2.gz GTNRIPSVVWETLO-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1)N(C)C ZINC000996244043 1255123068 /nfs/dbraw/zinc/12/30/68/1255123068.db2.gz FBPFVNOQVBLRKN-RBUKOAKNSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1)N(C)C ZINC000996247247 1255125949 /nfs/dbraw/zinc/12/59/49/1255125949.db2.gz MXDHRNHINGAOFT-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)CC2(C)C)cc1 ZINC000996293165 1255178522 /nfs/dbraw/zinc/17/85/22/1255178522.db2.gz BLWZXLPBRIHOFY-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000996299988 1255184853 /nfs/dbraw/zinc/18/48/53/1255184853.db2.gz HXMSHQYDNKUQNO-WBVHZDCISA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC2(C)C)cc1 ZINC000996300838 1255184957 /nfs/dbraw/zinc/18/49/57/1255184957.db2.gz OTJUHCNRMHYSDN-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996299686 1255185106 /nfs/dbraw/zinc/18/51/06/1255185106.db2.gz CEJSQMVEIRSVFH-APWZRJJASA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000996313417 1255196998 /nfs/dbraw/zinc/19/69/98/1255196998.db2.gz CNGHZMMDPLKCCH-DLBZAZTESA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353553 1255240158 /nfs/dbraw/zinc/24/01/58/1255240158.db2.gz AORLBLYGAAASBO-MAUKXSAKSA-N 1 3 340.471 2.848 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996353471 1255240769 /nfs/dbraw/zinc/24/07/69/1255240769.db2.gz AFOHCLHTCAZRHM-QZTJIDSGSA-N 1 3 340.471 2.930 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996353479 1255240794 /nfs/dbraw/zinc/24/07/94/1255240794.db2.gz AFOHCLHTCAZRHM-ZWKOTPCHSA-N 1 3 340.471 2.930 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000996355414 1255243922 /nfs/dbraw/zinc/24/39/22/1255243922.db2.gz MDQQIGRRMZTJPJ-KRWDZBQOSA-N 1 3 330.476 2.669 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996356205 1255243989 /nfs/dbraw/zinc/24/39/89/1255243989.db2.gz QBWXBGCVEWMNPF-GOSISDBHSA-N 1 3 340.471 2.541 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996378144 1255259954 /nfs/dbraw/zinc/25/99/54/1255259954.db2.gz FMSGPZZUWGANIM-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1cccc(F)c1 ZINC000996665556 1255701603 /nfs/dbraw/zinc/70/16/03/1255701603.db2.gz MOJVFDFVCNEZPV-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996674998 1255705933 /nfs/dbraw/zinc/70/59/33/1255705933.db2.gz DUQLWMHGSIKTDN-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996669443 1255713287 /nfs/dbraw/zinc/71/32/87/1255713287.db2.gz FUCQCMXFAKAGNP-OALUTQOASA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cs1 ZINC000996672765 1255721041 /nfs/dbraw/zinc/72/10/41/1255721041.db2.gz PCAJXVZMXQIFTN-UHFFFAOYSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996675232 1255723011 /nfs/dbraw/zinc/72/30/11/1255723011.db2.gz FOLHUVUTBQHFRO-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CC1CCC(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000996678306 1255727643 /nfs/dbraw/zinc/72/76/43/1255727643.db2.gz LZUJEYJPJHLYMY-RJYAGPCLSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000996678420 1255728215 /nfs/dbraw/zinc/72/82/15/1255728215.db2.gz NHPZAPDUKHZGDL-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996679176 1255731816 /nfs/dbraw/zinc/73/18/16/1255731816.db2.gz QFTXFRZDYYMWAS-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1)C1CC1 ZINC000996680038 1255733171 /nfs/dbraw/zinc/73/31/71/1255733171.db2.gz SETSHIBEIJHFBM-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996681210 1255734848 /nfs/dbraw/zinc/73/48/48/1255734848.db2.gz XWCPCSCMZJPWLE-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000996686489 1255762058 /nfs/dbraw/zinc/76/20/58/1255762058.db2.gz BJWHFVOQXRYWKD-IBGZPJMESA-N 1 3 349.494 2.823 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC000996698368 1255771299 /nfs/dbraw/zinc/77/12/99/1255771299.db2.gz WBPRXXZQZDPKAT-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000996699316 1255771952 /nfs/dbraw/zinc/77/19/52/1255771952.db2.gz XSZOQRGJGGQTOJ-SFHVURJKSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1)N(C)C ZINC000996712417 1255815047 /nfs/dbraw/zinc/81/50/47/1255815047.db2.gz ODMWYTIZUQZLER-QGZVFWFLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436672 1255816166 /nfs/dbraw/zinc/81/61/66/1255816166.db2.gz JYHDEGVLBVPMDQ-LZLYRXPVSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436672 1255816182 /nfs/dbraw/zinc/81/61/82/1255816182.db2.gz JYHDEGVLBVPMDQ-LZLYRXPVSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1)N(C)C ZINC000996712565 1255818240 /nfs/dbraw/zinc/81/82/40/1255818240.db2.gz QMQZDWGKVMSZAA-LJQANCHMSA-N 1 3 342.487 2.589 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438643 1255821246 /nfs/dbraw/zinc/82/12/46/1255821246.db2.gz FUUWOOKGJONIEK-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438643 1255821256 /nfs/dbraw/zinc/82/12/56/1255821256.db2.gz FUUWOOKGJONIEK-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC000996713879 1255828385 /nfs/dbraw/zinc/82/83/85/1255828385.db2.gz YNWOMOPNNPJNQL-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444439 1255834344 /nfs/dbraw/zinc/83/43/44/1255834344.db2.gz IHLLTOKDYUUTFY-WSTZPKSXSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444439 1255834357 /nfs/dbraw/zinc/83/43/57/1255834357.db2.gz IHLLTOKDYUUTFY-WSTZPKSXSA-N 1 3 335.536 2.900 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107454699 1255867184 /nfs/dbraw/zinc/86/71/84/1255867184.db2.gz KDFPUFNXTYRHRB-VSZZASKWSA-N 1 3 341.927 2.830 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107454699 1255867191 /nfs/dbraw/zinc/86/71/91/1255867191.db2.gz KDFPUFNXTYRHRB-VSZZASKWSA-N 1 3 341.927 2.830 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107454696 1255867933 /nfs/dbraw/zinc/86/79/33/1255867933.db2.gz KDFPUFNXTYRHRB-BKUPIPOLSA-N 1 3 341.927 2.830 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107454696 1255867948 /nfs/dbraw/zinc/86/79/48/1255867948.db2.gz KDFPUFNXTYRHRB-BKUPIPOLSA-N 1 3 341.927 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@H](C)F)CC2 ZINC001107454958 1255869669 /nfs/dbraw/zinc/86/96/69/1255869669.db2.gz TWALDZKQSNPKDO-FRQCXROJSA-N 1 3 341.515 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H](C)F)CC2 ZINC001107454958 1255869680 /nfs/dbraw/zinc/86/96/80/1255869680.db2.gz TWALDZKQSNPKDO-FRQCXROJSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533699 1256068188 /nfs/dbraw/zinc/06/81/88/1256068188.db2.gz BFZSYYYJQDMVTL-QWFCFKBJSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533699 1256068201 /nfs/dbraw/zinc/06/82/01/1256068201.db2.gz BFZSYYYJQDMVTL-QWFCFKBJSA-N 1 3 337.552 2.980 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)C(C)C ZINC001107582075 1256178146 /nfs/dbraw/zinc/17/81/46/1256178146.db2.gz VNOHIRGQNNWOTK-ZHALLVOQSA-N 1 3 341.515 2.683 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107614497 1256301056 /nfs/dbraw/zinc/30/10/56/1256301056.db2.gz CQYIDUYXYCZMLC-UYAOXDASSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107614497 1256301061 /nfs/dbraw/zinc/30/10/61/1256301061.db2.gz CQYIDUYXYCZMLC-UYAOXDASSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621048 1256318154 /nfs/dbraw/zinc/31/81/54/1256318154.db2.gz IIELAJJXSSQXGQ-IEBWSBKVSA-N 1 3 332.492 2.812 20 0 EFADHO CCCCC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621048 1256318166 /nfs/dbraw/zinc/31/81/66/1256318166.db2.gz IIELAJJXSSQXGQ-IEBWSBKVSA-N 1 3 332.492 2.812 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621822 1256319617 /nfs/dbraw/zinc/31/96/17/1256319617.db2.gz XNLPMISMVWJGQB-IEBWSBKVSA-N 1 3 330.476 2.588 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621822 1256319622 /nfs/dbraw/zinc/31/96/22/1256319622.db2.gz XNLPMISMVWJGQB-IEBWSBKVSA-N 1 3 330.476 2.588 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC001203456007 1256369155 /nfs/dbraw/zinc/36/91/55/1256369155.db2.gz NTSMCVBLYITXBP-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001203456191 1256401975 /nfs/dbraw/zinc/40/19/75/1256401975.db2.gz QYHCHNWIANPTRW-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC000996966851 1256584146 /nfs/dbraw/zinc/58/41/46/1256584146.db2.gz WBPRXXZQZDPKAT-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996962993 1256595346 /nfs/dbraw/zinc/59/53/46/1256595346.db2.gz CTTABDGTCJZGFR-LJQANCHMSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000996963684 1256596894 /nfs/dbraw/zinc/59/68/94/1256596894.db2.gz HWHCXJVTPJRVPB-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996979331 1256602585 /nfs/dbraw/zinc/60/25/85/1256602585.db2.gz STWUAWJAOJNMRH-LJQANCHMSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996996168 1256642612 /nfs/dbraw/zinc/64/26/12/1256642612.db2.gz VRPSIQANCQUKSO-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996996166 1256642740 /nfs/dbraw/zinc/64/27/40/1256642740.db2.gz VRPSIQANCQUKSO-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996995766 1256645293 /nfs/dbraw/zinc/64/52/93/1256645293.db2.gz QJBBICHQQYXPKL-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996995838 1256646724 /nfs/dbraw/zinc/64/67/24/1256646724.db2.gz RSBNLEQELBHHND-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccccc1F ZINC000996999043 1256653424 /nfs/dbraw/zinc/65/34/24/1256653424.db2.gz LSRUELZLFIKAFW-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000997001439 1256657501 /nfs/dbraw/zinc/65/75/01/1256657501.db2.gz UITXPXVEBJKPOP-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000997001164 1256657926 /nfs/dbraw/zinc/65/79/26/1256657926.db2.gz SGOVCOOCMRQKLQ-MRXNPFEDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000997003141 1256661189 /nfs/dbraw/zinc/66/11/89/1256661189.db2.gz YRGLNWWOMKWVRY-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)C1 ZINC000996996878 1256662412 /nfs/dbraw/zinc/66/24/12/1256662412.db2.gz AJJYJMAYZOFCQC-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO CC1(C)CC(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000996997057 1256663506 /nfs/dbraw/zinc/66/35/06/1256663506.db2.gz DXYJYRXUIXXASX-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000997004575 1256665128 /nfs/dbraw/zinc/66/51/28/1256665128.db2.gz FEJSAVGNHPYDRI-LJQANCHMSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(CF)cc3)CC2)C1 ZINC000997004715 1256665420 /nfs/dbraw/zinc/66/54/20/1256665420.db2.gz GEDBXMKHSHHGKR-INIZCTEOSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997005614 1256666839 /nfs/dbraw/zinc/66/68/39/1256666839.db2.gz IWVOINFVWLAOEC-AEFFLSMTSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000997005602 1256667472 /nfs/dbraw/zinc/66/74/72/1256667472.db2.gz IVVCOWDMTBBFMF-IBGZPJMESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC000997006404 1256668047 /nfs/dbraw/zinc/66/80/47/1256668047.db2.gz LXGPYUABAQMJPG-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997007258 1256671162 /nfs/dbraw/zinc/67/11/62/1256671162.db2.gz PHIODCDWLRNNSL-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCC3=CCCCC3)CC2)C1 ZINC000997008548 1256674661 /nfs/dbraw/zinc/67/46/61/1256674661.db2.gz VITDCZFUMOOAOK-QGZVFWFLSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997008594 1256675080 /nfs/dbraw/zinc/67/50/80/1256675080.db2.gz VSCQMTYMMGKNMF-OAHLLOKOSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC000997008810 1256676171 /nfs/dbraw/zinc/67/61/71/1256676171.db2.gz BQNRHASFRUEWEQ-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC000997011343 1256682898 /nfs/dbraw/zinc/68/28/98/1256682898.db2.gz YNWOMOPNNPJNQL-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC000997015068 1256689110 /nfs/dbraw/zinc/68/91/10/1256689110.db2.gz MVOSKGKUXQXTCO-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997036585 1256721661 /nfs/dbraw/zinc/72/16/61/1256721661.db2.gz OBHZTXRXHAHBEA-HNNXBMFYSA-N 1 3 326.444 2.602 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000997041496 1256728528 /nfs/dbraw/zinc/72/85/28/1256728528.db2.gz KOSHDAKQPVFOBW-UHFFFAOYSA-N 1 3 338.455 2.610 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997070931 1256791610 /nfs/dbraw/zinc/79/16/10/1256791610.db2.gz DNKMUZJHSXPGDD-ONLMNPRXSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997070931 1256791616 /nfs/dbraw/zinc/79/16/16/1256791616.db2.gz DNKMUZJHSXPGDD-ONLMNPRXSA-N 1 3 341.927 2.828 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CC4(CCC4)C3)CC2)CC1 ZINC000997114884 1256949942 /nfs/dbraw/zinc/94/99/42/1256949942.db2.gz JKRODHBBZHONMZ-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000997115410 1256953184 /nfs/dbraw/zinc/95/31/84/1256953184.db2.gz NAIZZMQLFZLHON-QRVBRYPASA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CCC3CCCC3)CC2)CC1 ZINC000997116358 1256956995 /nfs/dbraw/zinc/95/69/95/1256956995.db2.gz WYHQOOFEUYAGOJ-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997118341 1256974849 /nfs/dbraw/zinc/97/48/49/1256974849.db2.gz FEIPMOZRMODLJC-RDQHTGABSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997118341 1256974852 /nfs/dbraw/zinc/97/48/52/1256974852.db2.gz FEIPMOZRMODLJC-RDQHTGABSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404594 1257116449 /nfs/dbraw/zinc/11/64/49/1257116449.db2.gz NZUHIYHYGYTPHE-IRXDYDNUSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCCCC1 ZINC001032404594 1257116453 /nfs/dbraw/zinc/11/64/53/1257116453.db2.gz NZUHIYHYGYTPHE-IRXDYDNUSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N1CCCCC1 ZINC001032404594 1257116456 /nfs/dbraw/zinc/11/64/56/1257116456.db2.gz NZUHIYHYGYTPHE-IRXDYDNUSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997334123 1257382051 /nfs/dbraw/zinc/38/20/51/1257382051.db2.gz RSSPBMJTMIRQTL-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000997306286 1257385473 /nfs/dbraw/zinc/38/54/73/1257385473.db2.gz BKMJILKSYBKZIT-QZTJIDSGSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000997307829 1257385762 /nfs/dbraw/zinc/38/57/62/1257385762.db2.gz WYLGMQDCSDHPCW-HXUWFJFHSA-N 1 3 341.499 2.740 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CC3CCC3)CC2)c1 ZINC000997357704 1257444574 /nfs/dbraw/zinc/44/45/74/1257444574.db2.gz XHVNYODPOCOPEG-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000997364350 1257451401 /nfs/dbraw/zinc/45/14/01/1257451401.db2.gz LWLULTASIDHNOT-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032442868 1257491708 /nfs/dbraw/zinc/49/17/08/1257491708.db2.gz GRXWVRXJQTXIDD-UFYCRDLUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032442868 1257491713 /nfs/dbraw/zinc/49/17/13/1257491713.db2.gz GRXWVRXJQTXIDD-UFYCRDLUSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367385019 1257666842 /nfs/dbraw/zinc/66/68/42/1257666842.db2.gz RSHGESSAOQEPRL-YPMHNXCESA-N 1 3 331.913 2.678 20 0 EFADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040430281 1257690646 /nfs/dbraw/zinc/69/06/46/1257690646.db2.gz AAFVTIXUIIJEQC-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040430281 1257690650 /nfs/dbraw/zinc/69/06/50/1257690650.db2.gz AAFVTIXUIIJEQC-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032493542 1257867462 /nfs/dbraw/zinc/86/74/62/1257867462.db2.gz YHEANPXHGBIVRG-OKZBNKHCSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032493542 1257867470 /nfs/dbraw/zinc/86/74/70/1257867470.db2.gz YHEANPXHGBIVRG-OKZBNKHCSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032498808 1257941118 /nfs/dbraw/zinc/94/11/18/1257941118.db2.gz JXFYAAHUAIFXDE-XPGWFJOJSA-N 1 3 346.434 2.994 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC001203459409 1258064019 /nfs/dbraw/zinc/06/40/19/1258064019.db2.gz DGPKORUZQLTFRQ-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001649059082 1258075589 /nfs/dbraw/zinc/07/55/89/1258075589.db2.gz ZXIYTCUBUXDBIO-QGZVFWFLSA-N 1 3 336.439 2.536 20 0 EFADHO CC1CCC(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000997611961 1258110109 /nfs/dbraw/zinc/11/01/09/1258110109.db2.gz IKCMWUXNMZMYCZ-FAFZWHIHSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997614406 1258116829 /nfs/dbraw/zinc/11/68/29/1258116829.db2.gz QFUIOYWWINGEJX-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001032539358 1258271476 /nfs/dbraw/zinc/27/14/76/1258271476.db2.gz BUCAEGRSRQAWKQ-GBESFXJTSA-N 1 3 345.531 2.582 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001168596241 1258383054 /nfs/dbraw/zinc/38/30/54/1258383054.db2.gz HJLYZFYUYCTWJZ-BQFCYCMXSA-N 1 3 329.492 2.571 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000997824117 1258495418 /nfs/dbraw/zinc/49/54/18/1258495418.db2.gz QISZDPWNLTYTJF-UZLBHIALSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)cs1 ZINC000997830339 1258504503 /nfs/dbraw/zinc/50/45/03/1258504503.db2.gz IFROBYNGBYZICC-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000997830614 1258504702 /nfs/dbraw/zinc/50/47/02/1258504702.db2.gz KICGMCCATFJDFZ-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000997838995 1258513945 /nfs/dbraw/zinc/51/39/45/1258513945.db2.gz CHNPZJCVKNHBIL-FQEVSTJZSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC000997845417 1258521962 /nfs/dbraw/zinc/52/19/62/1258521962.db2.gz WFHKIXHNDLCLAU-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC000997854971 1258534400 /nfs/dbraw/zinc/53/44/00/1258534400.db2.gz IIDXURUOSAQDME-VQIMIIECSA-N 1 3 331.504 2.916 20 0 EFADHO CC1CC(C[NH+]2CCC(NC(=O)c3ccccc3CN(C)C)CC2)C1 ZINC001004201111 1266206725 /nfs/dbraw/zinc/20/67/25/1266206725.db2.gz JHUSDVIURWVYPO-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032584174 1258792565 /nfs/dbraw/zinc/79/25/65/1258792565.db2.gz PBTHEBZMQXNWFZ-SLFFLAALSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032584174 1258792582 /nfs/dbraw/zinc/79/25/82/1258792582.db2.gz PBTHEBZMQXNWFZ-SLFFLAALSA-N 1 3 345.531 2.869 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000997948615 1258815236 /nfs/dbraw/zinc/81/52/36/1258815236.db2.gz IYPDYPBHHQWLOH-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000997948615 1258815257 /nfs/dbraw/zinc/81/52/57/1258815257.db2.gz IYPDYPBHHQWLOH-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)c1 ZINC001004204013 1266214720 /nfs/dbraw/zinc/21/47/20/1266214720.db2.gz NTFVBKDJQHOPBZ-QZTJIDSGSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC001004204107 1266215864 /nfs/dbraw/zinc/21/58/64/1266215864.db2.gz PLDKHAHDRGZZPM-QZTJIDSGSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@@H+]1C ZINC001032587115 1258862970 /nfs/dbraw/zinc/86/29/70/1258862970.db2.gz MQUVYGNOLBEGML-LEAZDLGRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@H+]1C ZINC001032587115 1258862979 /nfs/dbraw/zinc/86/29/79/1258862979.db2.gz MQUVYGNOLBEGML-LEAZDLGRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC000998040965 1259003200 /nfs/dbraw/zinc/00/32/00/1259003200.db2.gz VVIZSDIGUWCVNH-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)N(C)C ZINC000998040905 1259003232 /nfs/dbraw/zinc/00/32/32/1259003232.db2.gz SPGWRENSDFKPMC-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC000998040975 1259003442 /nfs/dbraw/zinc/00/34/42/1259003442.db2.gz WFHKIXHNDLCLAU-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000998082099 1259085551 /nfs/dbraw/zinc/08/55/51/1259085551.db2.gz NNIINGKXIVLPOK-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)C1 ZINC000998083051 1259086268 /nfs/dbraw/zinc/08/62/68/1259086268.db2.gz UGNKVKFLCDRFCY-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000998084078 1259087347 /nfs/dbraw/zinc/08/73/47/1259087347.db2.gz ZDGQPGDUAALCHQ-UHFFFAOYSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000998084593 1259089166 /nfs/dbraw/zinc/08/91/66/1259089166.db2.gz DHZBADVMEDXIHA-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC000998085593 1259090630 /nfs/dbraw/zinc/09/06/30/1259090630.db2.gz HDDKLNRIHCUSKG-TVPLGVNVSA-N 1 3 337.552 2.981 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000998114490 1259127254 /nfs/dbraw/zinc/12/72/54/1259127254.db2.gz IUWLZMZLNXQUNA-UHFFFAOYSA-N 1 3 346.862 2.634 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1cccc(F)c1 ZINC000998120120 1259135262 /nfs/dbraw/zinc/13/52/62/1259135262.db2.gz QBNLCJXUXQVUCP-AWEZNQCLSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000998120095 1259135331 /nfs/dbraw/zinc/13/53/31/1259135331.db2.gz PLYNTBOPLKXKLO-CQSZACIVSA-N 1 3 344.434 2.681 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC1 ZINC001032602995 1259163294 /nfs/dbraw/zinc/16/32/94/1259163294.db2.gz KBSXDAIUXAPLJY-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CC3CCCC3)CC2)CC1 ZINC000998176454 1259196255 /nfs/dbraw/zinc/19/62/55/1259196255.db2.gz XMMORBHOBDVTKP-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998263881 1259337565 /nfs/dbraw/zinc/33/75/65/1259337565.db2.gz YKAGOTGCDIHGGF-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998267962 1259342364 /nfs/dbraw/zinc/34/23/64/1259342364.db2.gz BLOKCNNHGFLLKE-GOSISDBHSA-N 1 3 343.515 2.980 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC000998268071 1259343247 /nfs/dbraw/zinc/34/32/47/1259343247.db2.gz DTELJWBPPIPYCK-UHFFFAOYSA-N 1 3 347.478 2.580 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000998270556 1259351495 /nfs/dbraw/zinc/35/14/95/1259351495.db2.gz UVXVMMJXNAKAKV-MRXNPFEDSA-N 1 3 347.478 2.811 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000998275423 1259357338 /nfs/dbraw/zinc/35/73/38/1259357338.db2.gz UWUUGVHLMWHQFS-HXUWFJFHSA-N 1 3 341.499 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC000998289447 1259383969 /nfs/dbraw/zinc/38/39/69/1259383969.db2.gz MBEFQMCKYPZRHM-KVZIAJEVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032628244 1259431324 /nfs/dbraw/zinc/43/13/24/1259431324.db2.gz URBHFYMFJNHLFL-WDSOQIARSA-N 1 3 331.504 2.504 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032628244 1259431326 /nfs/dbraw/zinc/43/13/26/1259431326.db2.gz URBHFYMFJNHLFL-WDSOQIARSA-N 1 3 331.504 2.504 20 0 EFADHO CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143611 1259813495 /nfs/dbraw/zinc/81/34/95/1259813495.db2.gz IYZVFQKMMBVHGH-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143611 1259813504 /nfs/dbraw/zinc/81/35/04/1259813504.db2.gz IYZVFQKMMBVHGH-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1 ZINC000946517857 1260248931 /nfs/dbraw/zinc/24/89/31/1260248931.db2.gz JWZRTHWVMFJHAF-FGTMMUONSA-N 1 3 347.528 2.513 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CC1 ZINC000946517857 1260248934 /nfs/dbraw/zinc/24/89/34/1260248934.db2.gz JWZRTHWVMFJHAF-FGTMMUONSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000999142975 1260250683 /nfs/dbraw/zinc/25/06/83/1260250683.db2.gz FCEXQUONCPQCDM-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999147096 1260252463 /nfs/dbraw/zinc/25/24/63/1260252463.db2.gz ZYYKMVJGILRJOY-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999147096 1260252469 /nfs/dbraw/zinc/25/24/69/1260252469.db2.gz ZYYKMVJGILRJOY-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999147098 1260253360 /nfs/dbraw/zinc/25/33/60/1260253360.db2.gz ZYYKMVJGILRJOY-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999147098 1260253365 /nfs/dbraw/zinc/25/33/65/1260253365.db2.gz ZYYKMVJGILRJOY-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000999132543 1260260767 /nfs/dbraw/zinc/26/07/67/1260260767.db2.gz GLFFXBIWFFNSDD-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518131 1260264022 /nfs/dbraw/zinc/26/40/22/1260264022.db2.gz ONBILXMVSMKLJV-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518131 1260264029 /nfs/dbraw/zinc/26/40/29/1260264029.db2.gz ONBILXMVSMKLJV-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)CCC1 ZINC000999347258 1260551172 /nfs/dbraw/zinc/55/11/72/1260551172.db2.gz HYKHDMDNQNXVJC-MJGOQNOKSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000999351600 1260555050 /nfs/dbraw/zinc/55/50/50/1260555050.db2.gz DYXUSRJEMGQCRF-FUHWJXTLSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000999375021 1260558297 /nfs/dbraw/zinc/55/82/97/1260558297.db2.gz KCDDJBTZSYACOL-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC000999376606 1260560266 /nfs/dbraw/zinc/56/02/66/1260560266.db2.gz NESGDNRRTRWMHG-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999362419 1260563593 /nfs/dbraw/zinc/56/35/93/1260563593.db2.gz AKKHZADEUAMMEL-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999362674 1260564359 /nfs/dbraw/zinc/56/43/59/1260564359.db2.gz CRJRLNHGFXGOCX-IBGZPJMESA-N 1 3 343.515 2.602 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000999363018 1260564782 /nfs/dbraw/zinc/56/47/82/1260564782.db2.gz FFODHPFFEMLDLZ-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999363126 1260565600 /nfs/dbraw/zinc/56/56/00/1260565600.db2.gz CEBWINTWVJZMTD-OALUTQOASA-N 1 3 347.478 2.555 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000999364874 1260566885 /nfs/dbraw/zinc/56/68/85/1260566885.db2.gz NXSSGRVOBJYBTQ-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999366180 1260568655 /nfs/dbraw/zinc/56/86/55/1260568655.db2.gz VPZZQHCNZDRCMI-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000999366668 1260569340 /nfs/dbraw/zinc/56/93/40/1260569340.db2.gz YWIAYCGPJDEOFI-SJLPKXTDSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000999368993 1260569354 /nfs/dbraw/zinc/56/93/54/1260569354.db2.gz IFUBQXIMGKVYQQ-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000999366663 1260570077 /nfs/dbraw/zinc/57/00/77/1260570077.db2.gz YWIAYCGPJDEOFI-AEFFLSMTSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000999369602 1260571336 /nfs/dbraw/zinc/57/13/36/1260571336.db2.gz JMAFAYIZLWXUQL-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000999398807 1260577992 /nfs/dbraw/zinc/57/79/92/1260577992.db2.gz AJGVKPJOOWDDRD-IPJUCJBFSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000999402012 1260594784 /nfs/dbraw/zinc/59/47/84/1260594784.db2.gz CRWBXBRWBHDMEM-VMEOHVCESA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999402689 1260596085 /nfs/dbraw/zinc/59/60/85/1260596085.db2.gz IYPFOCRJDLPRBN-MNNVXMFVSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000999407734 1260602404 /nfs/dbraw/zinc/60/24/04/1260602404.db2.gz FTSMIIKOXYFUCM-DZIBYMRMSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999407686 1260602875 /nfs/dbraw/zinc/60/28/75/1260602875.db2.gz DVPYCIFTWNOBBO-UHFFFAOYSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999407872 1260603013 /nfs/dbraw/zinc/60/30/13/1260603013.db2.gz XQZVXDMFNAIGMY-IPJUCJBFSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC000999407884 1260603072 /nfs/dbraw/zinc/60/30/72/1260603072.db2.gz HRIAWFDOOVFKAU-NLNFPOJYSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999421906 1260612058 /nfs/dbraw/zinc/61/20/58/1260612058.db2.gz KHMPCPMMCLILAP-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000999432379 1260621870 /nfs/dbraw/zinc/62/18/70/1260621870.db2.gz FZLHJWOGMMOVJM-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO O=C(N1CCC[C@H](NCc2ccccc2F)C1)C12CCC[NH+]1CCC2 ZINC000999599249 1260763067 /nfs/dbraw/zinc/76/30/67/1260763067.db2.gz XYDATCPEDXQBMA-KRWDZBQOSA-N 1 3 345.462 2.535 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999832770 1260945105 /nfs/dbraw/zinc/94/51/05/1260945105.db2.gz VWZPKKBLIYMHPL-FHERZECASA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999832770 1260945109 /nfs/dbraw/zinc/94/51/09/1260945109.db2.gz VWZPKKBLIYMHPL-FHERZECASA-N 1 3 349.906 2.679 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1F ZINC000999833072 1260945975 /nfs/dbraw/zinc/94/59/75/1260945975.db2.gz LGYHHAJQRDTITG-FHERZECASA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000999835642 1260946716 /nfs/dbraw/zinc/94/67/16/1260946716.db2.gz HUOJQXRSLKBUME-ACBHZAAOSA-N 1 3 347.478 2.952 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC000999876154 1260964691 /nfs/dbraw/zinc/96/46/91/1260964691.db2.gz HANPGHMJOJPLHT-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033071198 1266377958 /nfs/dbraw/zinc/37/79/58/1266377958.db2.gz WVPAHUZKOAFIEH-RTBURBONSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033071198 1266377965 /nfs/dbraw/zinc/37/79/65/1266377965.db2.gz WVPAHUZKOAFIEH-RTBURBONSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033071348 1266380944 /nfs/dbraw/zinc/38/09/44/1266380944.db2.gz ZJOFRFAYRIEFFS-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033071348 1266380955 /nfs/dbraw/zinc/38/09/55/1266380955.db2.gz ZJOFRFAYRIEFFS-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032724739 1261076106 /nfs/dbraw/zinc/07/61/06/1261076106.db2.gz CQQNCMHZEYDQOF-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032724739 1261076108 /nfs/dbraw/zinc/07/61/08/1261076108.db2.gz CQQNCMHZEYDQOF-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032727171 1261086344 /nfs/dbraw/zinc/08/63/44/1261086344.db2.gz ZURHXZAOLZHIBA-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032727171 1261086348 /nfs/dbraw/zinc/08/63/48/1261086348.db2.gz ZURHXZAOLZHIBA-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CC1=CC[C@H](CC[N@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862175 1261186035 /nfs/dbraw/zinc/18/60/35/1261186035.db2.gz LTDLQGFMXDVAJL-NQIIRXRSSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862175 1261186037 /nfs/dbraw/zinc/18/60/37/1261186037.db2.gz LTDLQGFMXDVAJL-NQIIRXRSSA-N 1 3 347.547 2.997 20 0 EFADHO C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCc1cccc(Cl)c1 ZINC001272892159 1261252287 /nfs/dbraw/zinc/25/22/87/1261252287.db2.gz CRTDKXBEQGTQKP-QZTJIDSGSA-N 1 3 349.906 2.509 20 0 EFADHO Cc1cccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272907436 1261303148 /nfs/dbraw/zinc/30/31/48/1261303148.db2.gz QBAIWJVIQMEIGO-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272907436 1261303156 /nfs/dbraw/zinc/30/31/56/1261303156.db2.gz QBAIWJVIQMEIGO-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921747460 1261355638 /nfs/dbraw/zinc/35/56/38/1261355638.db2.gz OWEJXYBLUHBGES-APWZRJJASA-N 1 3 332.488 2.848 20 0 EFADHO COc1ccc([C@H]2C[C@@H]([NH+]3CCC4(CN(C)C4)CC3)CCO2)cc1 ZINC001168665691 1261377338 /nfs/dbraw/zinc/37/73/38/1261377338.db2.gz SNYXXDAFKTXIBA-PKOBYXMFSA-N 1 3 330.472 2.943 20 0 EFADHO c1csc(CCN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000923320639 1261469266 /nfs/dbraw/zinc/46/92/66/1261469266.db2.gz BMVXFWDNBZAJKM-AYHJJNSGSA-N 1 3 333.545 2.829 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033074183 1266418150 /nfs/dbraw/zinc/41/81/50/1266418150.db2.gz XNHRRQFDJNDORF-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033074183 1266418156 /nfs/dbraw/zinc/41/81/56/1266418156.db2.gz XNHRRQFDJNDORF-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033074183 1266418161 /nfs/dbraw/zinc/41/81/61/1266418161.db2.gz XNHRRQFDJNDORF-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033074183 1266418166 /nfs/dbraw/zinc/41/81/66/1266418166.db2.gz XNHRRQFDJNDORF-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001006061749 1261573062 /nfs/dbraw/zinc/57/30/62/1261573062.db2.gz VOGVDSFXVDWKMY-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000923373884 1261574021 /nfs/dbraw/zinc/57/40/21/1261574021.db2.gz PULBNMPRLCLENE-DOTOQJQBSA-N 1 3 326.868 2.577 20 0 EFADHO C[C@@H]1CCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000923376593 1261576639 /nfs/dbraw/zinc/57/66/39/1261576639.db2.gz ZSMJAYJUIBIDAG-VHDGCEQUSA-N 1 3 330.394 2.526 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001006067398 1261586211 /nfs/dbraw/zinc/58/62/11/1261586211.db2.gz VYPHWGYFBZEMQU-UHFFFAOYSA-N 1 3 344.503 2.845 20 0 EFADHO CC(=O)Nc1cccc2c1CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923412515 1261626432 /nfs/dbraw/zinc/62/64/32/1261626432.db2.gz IPQGDHLQXDUUDK-ZNXRZULTSA-N 1 3 327.472 2.924 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001006084565 1261667239 /nfs/dbraw/zinc/66/72/39/1261667239.db2.gz QRWLINOOXSYUFD-IBGZPJMESA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486863 1261743969 /nfs/dbraw/zinc/74/39/69/1261743969.db2.gz KXJKMYCPLGLUOZ-HZPDHXFCSA-N 1 3 325.456 2.688 20 0 EFADHO [NH3+]CC[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923481636 1261751671 /nfs/dbraw/zinc/75/16/71/1261751671.db2.gz SYTPQMSTPLFUBF-IAQYHMDHSA-N 1 3 342.270 2.769 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000923489564 1261768806 /nfs/dbraw/zinc/76/88/06/1261768806.db2.gz YUMXGXVQPDDYMJ-LJQANCHMSA-N 1 3 337.467 2.891 20 0 EFADHO CC(C)OCC[NH+]1CCC(NCc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000921809584 1261771295 /nfs/dbraw/zinc/77/12/95/1261771295.db2.gz IYESAIRUMFETSD-MRXNPFEDSA-N 1 3 332.488 2.989 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923491122 1261772993 /nfs/dbraw/zinc/77/29/93/1261772993.db2.gz JHQPCUTUGDGHBH-MGPUTAFESA-N 1 3 347.478 2.844 20 0 EFADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](CC[NH3+])C1 ZINC000923491326 1261773564 /nfs/dbraw/zinc/77/35/64/1261773564.db2.gz HWFQLOMYAAEGHS-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493419 1261778736 /nfs/dbraw/zinc/77/87/36/1261778736.db2.gz UUDFEDPKQBALEE-NWDGAFQWSA-N 1 3 345.365 2.583 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493421 1261779190 /nfs/dbraw/zinc/77/91/90/1261779190.db2.gz UUDFEDPKQBALEE-VXGBXAGGSA-N 1 3 345.365 2.583 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800793 1261791055 /nfs/dbraw/zinc/79/10/55/1261791055.db2.gz ZBLXCZFVVVPEHA-ROUUACIJSA-N 1 3 329.488 2.693 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800793 1261791060 /nfs/dbraw/zinc/79/10/60/1261791060.db2.gz ZBLXCZFVVVPEHA-ROUUACIJSA-N 1 3 329.488 2.693 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498921 1261794388 /nfs/dbraw/zinc/79/43/88/1261794388.db2.gz QWLSYYRQUKJLPN-IKGGRYGDSA-N 1 3 344.503 2.531 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504050 1261800450 /nfs/dbraw/zinc/80/04/50/1261800450.db2.gz SWQDRDONFUNHAR-PXNSSMCTSA-N 1 3 343.515 2.918 20 0 EFADHO CNC(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505159 1261803152 /nfs/dbraw/zinc/80/31/52/1261803152.db2.gz LFSPWYHALFPMIP-KRWDZBQOSA-N 1 3 329.488 2.648 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)N1CCCC1 ZINC001078695337 1262223139 /nfs/dbraw/zinc/22/31/39/1262223139.db2.gz KYAJOSJJKGRPQV-DLBZAZTESA-N 1 3 333.520 2.678 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)N1CCCC1 ZINC001078695340 1262223446 /nfs/dbraw/zinc/22/34/46/1262223446.db2.gz KYAJOSJJKGRPQV-SJORKVTESA-N 1 3 333.520 2.678 20 0 EFADHO Cc1ccsc1C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272933524 1262297649 /nfs/dbraw/zinc/29/76/49/1262297649.db2.gz BZMTUGOMQYLQST-LJQANCHMSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272933524 1262297652 /nfs/dbraw/zinc/29/76/52/1262297652.db2.gz BZMTUGOMQYLQST-LJQANCHMSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001078793826 1262360010 /nfs/dbraw/zinc/36/00/10/1262360010.db2.gz BPHKBZMGUNIZSH-MSOLQXFVSA-N 1 3 342.487 2.778 20 0 EFADHO CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819046 1262362186 /nfs/dbraw/zinc/36/21/86/1262362186.db2.gz IADAVQADNOQIRW-QZTJIDSGSA-N 1 3 329.488 2.787 20 0 EFADHO CC(C)[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819788 1262363559 /nfs/dbraw/zinc/36/35/59/1262363559.db2.gz RKZHVLABUBBHHM-ROUUACIJSA-N 1 3 329.488 2.787 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)s1 ZINC001272934424 1262377183 /nfs/dbraw/zinc/37/71/83/1262377183.db2.gz PWGNAWFBHXJUSH-GOSISDBHSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)s1 ZINC001272934424 1262377187 /nfs/dbraw/zinc/37/71/87/1262377187.db2.gz PWGNAWFBHXJUSH-GOSISDBHSA-N 1 3 335.517 2.575 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001485882211 1262464921 /nfs/dbraw/zinc/46/49/21/1262464921.db2.gz PHMFFJXCYVAKBT-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001033090532 1266503093 /nfs/dbraw/zinc/50/30/93/1266503093.db2.gz CBMCOFCQAGXLJJ-LSTHTHJFSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001033090532 1266503097 /nfs/dbraw/zinc/50/30/97/1266503097.db2.gz CBMCOFCQAGXLJJ-LSTHTHJFSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001485925741 1262505571 /nfs/dbraw/zinc/50/55/71/1262505571.db2.gz FNQFMBVKSBLGCI-DOTOQJQBSA-N 1 3 340.471 2.509 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CCC(C)CC2)cs1 ZINC001485937433 1262536331 /nfs/dbraw/zinc/53/63/31/1262536331.db2.gz FRSIUVJYAWALIW-HNNXBMFYSA-N 1 3 337.533 2.725 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001485938723 1262537958 /nfs/dbraw/zinc/53/79/58/1262537958.db2.gz ROWUSVSXKZUPOP-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccccc1 ZINC001485960366 1262559386 /nfs/dbraw/zinc/55/93/86/1262559386.db2.gz FKFNBSDAEZPBIQ-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001486081521 1262602673 /nfs/dbraw/zinc/60/26/73/1262602673.db2.gz NKPOMFQEGBJSCN-JACSLDNWSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486089721 1262612291 /nfs/dbraw/zinc/61/22/91/1262612291.db2.gz WOOWRQWRGPEOCS-AEFFLSMTSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090083 1262613167 /nfs/dbraw/zinc/61/31/67/1262613167.db2.gz YZNWONQZDTVBLO-CRAIPNDOSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001486131621 1262664549 /nfs/dbraw/zinc/66/45/49/1262664549.db2.gz WMEWKNJPRRYQTI-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C(C)(C)C)CCC1 ZINC001486398129 1262995624 /nfs/dbraw/zinc/99/56/24/1262995624.db2.gz CQLMGCYKVZZISS-KRWDZBQOSA-N 1 3 331.504 2.791 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082507532 1263201477 /nfs/dbraw/zinc/20/14/77/1263201477.db2.gz USRYOGPAACXFDE-QRQLOZEOSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082507137 1263201760 /nfs/dbraw/zinc/20/17/60/1263201760.db2.gz DICULTGBGJQJNG-NXHRZFHOSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082507358 1263201946 /nfs/dbraw/zinc/20/19/46/1263201946.db2.gz NNSAMJUKYOINQJ-NXHRZFHOSA-N 1 3 349.544 2.600 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559493 1263221374 /nfs/dbraw/zinc/22/13/74/1263221374.db2.gz GYGIJDJTFYZLJM-YSGRDPCXSA-N 1 3 343.515 2.526 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001082559856 1263221815 /nfs/dbraw/zinc/22/18/15/1263221815.db2.gz QZXRQSUSWJVSAU-ATZDWAIDSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001082557626 1263221956 /nfs/dbraw/zinc/22/19/56/1263221956.db2.gz UHIJBVMQDLWTIN-ZHALLVOQSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559463 1263221995 /nfs/dbraw/zinc/22/19/95/1263221995.db2.gz GAHAXDFCYIPNJT-NSISKUIASA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001082559639 1263222358 /nfs/dbraw/zinc/22/23/58/1263222358.db2.gz KYEXQNOSVMZISZ-XWIAVFTESA-N 1 3 349.906 2.617 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561911 1263223444 /nfs/dbraw/zinc/22/34/44/1263223444.db2.gz ZEKILONLWGJXFR-JTDSTZFVSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001082561910 1263223789 /nfs/dbraw/zinc/22/37/89/1263223789.db2.gz ZEKILONLWGJXFR-GPMSIDNRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1F ZINC001082561825 1263224242 /nfs/dbraw/zinc/22/42/42/1263224242.db2.gz UNDDITQMVNMAMS-ZRGWGRIASA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cs1 ZINC001082574937 1263228999 /nfs/dbraw/zinc/22/89/99/1263228999.db2.gz AVLGZJIUCYQMKI-XYPHTWIQSA-N 1 3 337.533 2.579 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001082588969 1263230111 /nfs/dbraw/zinc/23/01/11/1263230111.db2.gz AJASQVFMTHWFJE-MISYRCLQSA-N 1 3 345.531 2.889 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001082747516 1263290725 /nfs/dbraw/zinc/29/07/25/1263290725.db2.gz XPKYXPNRFPHLCW-QRQLOZEOSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001082747241 1263291859 /nfs/dbraw/zinc/29/18/59/1263291859.db2.gz GNRIVKZLKPNRAO-OLMNPRSZSA-N 1 3 343.471 2.710 20 0 EFADHO C[C@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1ccccc1F ZINC001082720108 1263300037 /nfs/dbraw/zinc/30/00/37/1263300037.db2.gz GPSAQSPIJULOJN-ZRGWGRIASA-N 1 3 347.478 2.665 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001082724914 1263303553 /nfs/dbraw/zinc/30/35/53/1263303553.db2.gz VLDZMGQAIJXCAJ-BHIYHBOVSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001082741047 1263312953 /nfs/dbraw/zinc/31/29/53/1263312953.db2.gz NSKJZHYEOCNWKF-GPMSIDNRSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082741133 1263312986 /nfs/dbraw/zinc/31/29/86/1263312986.db2.gz QIXCQIBLCIDDBX-GPMSIDNRSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001082740977 1263313018 /nfs/dbraw/zinc/31/30/18/1263313018.db2.gz MEKOUHYXGLOXES-RVKKMQEKSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001082741758 1263313506 /nfs/dbraw/zinc/31/35/06/1263313506.db2.gz BCOWRMFQDZTZKW-QKYXUNIQSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082741340 1263313534 /nfs/dbraw/zinc/31/35/34/1263313534.db2.gz YAUANSSULRDDEV-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742091 1263313645 /nfs/dbraw/zinc/31/36/45/1263313645.db2.gz QSCOGIDSBNKTCU-XFQXTVEOSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082741384 1263314451 /nfs/dbraw/zinc/31/44/51/1263314451.db2.gz ZIICOUUXGMLCTR-RVKKMQEKSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082741384 1263314459 /nfs/dbraw/zinc/31/44/59/1263314459.db2.gz ZIICOUUXGMLCTR-RVKKMQEKSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001082766856 1263328333 /nfs/dbraw/zinc/32/83/33/1263328333.db2.gz FIOHWJNYPALTJM-FSPWUOQZSA-N 1 3 344.434 2.679 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1ccccc1Cl ZINC001082922131 1263413961 /nfs/dbraw/zinc/41/39/61/1263413961.db2.gz KOHFMPLZPNRPDL-IIDMSEBBSA-N 1 3 349.906 2.933 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C)C1 ZINC001082941488 1263420687 /nfs/dbraw/zinc/42/06/87/1263420687.db2.gz SKIMTOSMGPJNGK-VPWFFCTISA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001082941654 1263423878 /nfs/dbraw/zinc/42/38/78/1263423878.db2.gz FECCMLWIKGVCDB-RLLQIKCJSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082943552 1263425464 /nfs/dbraw/zinc/42/54/64/1263425464.db2.gz NWUSZJHQVREOLJ-QRQLOZEOSA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040545819 1263697557 /nfs/dbraw/zinc/69/75/57/1263697557.db2.gz VDJUCFQBQAKWQP-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040545819 1263697570 /nfs/dbraw/zinc/69/75/70/1263697570.db2.gz VDJUCFQBQAKWQP-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)C(C)(C)N4CCCCC4)[C@@H]3C2)C1 ZINC001084345412 1263840482 /nfs/dbraw/zinc/84/04/82/1263840482.db2.gz CQONJYXWCUUDSZ-CSODTCANSA-N 1 3 347.547 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)C(C)(C)N4CCCCC4)[C@@H]3C2)C1 ZINC001084345412 1263840493 /nfs/dbraw/zinc/84/04/93/1263840493.db2.gz CQONJYXWCUUDSZ-CSODTCANSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001084429163 1263901112 /nfs/dbraw/zinc/90/11/12/1263901112.db2.gz PNKUTUMZSNPBAD-KURKYZTESA-N 1 3 335.536 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001084429163 1263901118 /nfs/dbraw/zinc/90/11/18/1263901118.db2.gz PNKUTUMZSNPBAD-KURKYZTESA-N 1 3 335.536 2.542 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084388687 1263903237 /nfs/dbraw/zinc/90/32/37/1263903237.db2.gz ASPFHZNRMBNSNB-CEXWTWQISA-N 1 3 347.547 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084388687 1263903243 /nfs/dbraw/zinc/90/32/43/1263903243.db2.gz ASPFHZNRMBNSNB-CEXWTWQISA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)C1 ZINC001084599116 1264063557 /nfs/dbraw/zinc/06/35/57/1264063557.db2.gz PVBWCOBIWKOEPL-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)C1 ZINC001084599116 1264063563 /nfs/dbraw/zinc/06/35/63/1264063563.db2.gz PVBWCOBIWKOEPL-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001002791997 1264080399 /nfs/dbraw/zinc/08/03/99/1264080399.db2.gz LUAISXIPHNVDCU-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001002792476 1264082468 /nfs/dbraw/zinc/08/24/68/1264082468.db2.gz OYGPRBIPCWNSKV-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001084639367 1264101953 /nfs/dbraw/zinc/10/19/53/1264101953.db2.gz PNKUTUMZSNPBAD-KZNAEPCWSA-N 1 3 335.536 2.542 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N(C)C ZINC001084639367 1264101956 /nfs/dbraw/zinc/10/19/56/1264101956.db2.gz PNKUTUMZSNPBAD-KZNAEPCWSA-N 1 3 335.536 2.542 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001084639312 1264102011 /nfs/dbraw/zinc/10/20/11/1264102011.db2.gz NHXAGURANJMRTP-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001084639312 1264102013 /nfs/dbraw/zinc/10/20/13/1264102013.db2.gz NHXAGURANJMRTP-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084767765 1264346734 /nfs/dbraw/zinc/34/67/34/1264346734.db2.gz ILGZMBPHRSCLMZ-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084767765 1264346746 /nfs/dbraw/zinc/34/67/46/1264346746.db2.gz ILGZMBPHRSCLMZ-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21 ZINC001084768189 1264347730 /nfs/dbraw/zinc/34/77/30/1264347730.db2.gz YOBZBYHCAAAQHT-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21 ZINC001084768189 1264347731 /nfs/dbraw/zinc/34/77/31/1264347731.db2.gz YOBZBYHCAAAQHT-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084768170 1264348229 /nfs/dbraw/zinc/34/82/29/1264348229.db2.gz XXKSYKMOAPQKRD-CEXWTWQISA-N 1 3 333.520 2.584 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084768170 1264348236 /nfs/dbraw/zinc/34/82/36/1264348236.db2.gz XXKSYKMOAPQKRD-CEXWTWQISA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849982 1264537313 /nfs/dbraw/zinc/53/73/13/1264537313.db2.gz CZUZUFPPLUYFOF-ATZDWAIDSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849982 1264537319 /nfs/dbraw/zinc/53/73/19/1264537319.db2.gz CZUZUFPPLUYFOF-ATZDWAIDSA-N 1 3 347.478 2.643 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938719 1264712625 /nfs/dbraw/zinc/71/26/25/1264712625.db2.gz CFSZEZIDXMOXBS-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938719 1264712632 /nfs/dbraw/zinc/71/26/32/1264712632.db2.gz CFSZEZIDXMOXBS-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001410317621 1264772197 /nfs/dbraw/zinc/77/21/97/1264772197.db2.gz YLKHTPSMIXMOKG-KBXCAEBGSA-N 1 3 326.444 2.540 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001410317868 1264774249 /nfs/dbraw/zinc/77/42/49/1264774249.db2.gz CDZPIYMANCABSQ-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)N(C)C ZINC001084964821 1264777936 /nfs/dbraw/zinc/77/79/36/1264777936.db2.gz TVXDTRPEDMUMHS-QYZOEREBSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)N(C)C ZINC001084964821 1264777945 /nfs/dbraw/zinc/77/79/45/1264777945.db2.gz TVXDTRPEDMUMHS-QYZOEREBSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003548682 1264884159 /nfs/dbraw/zinc/88/41/59/1264884159.db2.gz STTFHHJQYBQQRA-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001003623652 1264983130 /nfs/dbraw/zinc/98/31/30/1264983130.db2.gz ILYDVXJSCTYHIW-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)cc1C ZINC001003625546 1264985857 /nfs/dbraw/zinc/98/58/57/1264985857.db2.gz HQFOCYOVEIOHMV-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032799 1264986206 /nfs/dbraw/zinc/98/62/06/1264986206.db2.gz AUFAMMFXXTXAPR-GJYPPUQNSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C[C@@H]21 ZINC001085032799 1264986209 /nfs/dbraw/zinc/98/62/09/1264986209.db2.gz AUFAMMFXXTXAPR-GJYPPUQNSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003625441 1264986413 /nfs/dbraw/zinc/98/64/13/1264986413.db2.gz GDOFUQQWQIJMRK-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c(C)s1 ZINC001003627115 1264994591 /nfs/dbraw/zinc/99/45/91/1264994591.db2.gz CJCSULZNWLQSLN-AWEZNQCLSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001003627869 1264996389 /nfs/dbraw/zinc/99/63/89/1264996389.db2.gz IZZKZSUWSQNQKW-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001410396143 1265002543 /nfs/dbraw/zinc/00/25/43/1265002543.db2.gz YOHQSGGCFABCGM-OAHLLOKOSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1)N1CCCCCC1 ZINC001085049618 1265028901 /nfs/dbraw/zinc/02/89/01/1265028901.db2.gz ODYGWJFMTPJOPR-KURKYZTESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1)N1CCCCCC1 ZINC001085049618 1265028909 /nfs/dbraw/zinc/02/89/09/1265028909.db2.gz ODYGWJFMTPJOPR-KURKYZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001085049583 1265029368 /nfs/dbraw/zinc/02/93/68/1265029368.db2.gz MBPRBUVVRRQLPU-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001085049583 1265029378 /nfs/dbraw/zinc/02/93/78/1265029378.db2.gz MBPRBUVVRRQLPU-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001273001352 1265063139 /nfs/dbraw/zinc/06/31/39/1265063139.db2.gz FSTAJICSADBTNK-MAUKXSAKSA-N 1 3 337.483 2.705 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001085072522 1265076096 /nfs/dbraw/zinc/07/60/96/1265076096.db2.gz DWQIHHRKEHCRAK-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001085072522 1265076106 /nfs/dbraw/zinc/07/61/06/1265076106.db2.gz DWQIHHRKEHCRAK-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001003735887 1265111827 /nfs/dbraw/zinc/11/18/27/1265111827.db2.gz MPYJSTCKCRKGHH-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273005444 1265118170 /nfs/dbraw/zinc/11/81/70/1265118170.db2.gz KEFGZWGZKGJBAW-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273005444 1265118178 /nfs/dbraw/zinc/11/81/78/1265118178.db2.gz KEFGZWGZKGJBAW-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273005443 1265118433 /nfs/dbraw/zinc/11/84/33/1265118433.db2.gz KEFGZWGZKGJBAW-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273005443 1265118441 /nfs/dbraw/zinc/11/84/41/1265118441.db2.gz KEFGZWGZKGJBAW-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001003742564 1265124878 /nfs/dbraw/zinc/12/48/78/1265124878.db2.gz XVSBPJIFIYFPNN-FAFZWHIHSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001410430589 1265162320 /nfs/dbraw/zinc/16/23/20/1265162320.db2.gz FPYYNYZVNXXJIM-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733750860 1265401929 /nfs/dbraw/zinc/40/19/29/1265401929.db2.gz CUXWCUKSEHNVKX-MRXNPFEDSA-N 1 3 334.533 2.827 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733750860 1265401935 /nfs/dbraw/zinc/40/19/35/1265401935.db2.gz CUXWCUKSEHNVKX-MRXNPFEDSA-N 1 3 334.533 2.827 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001033096131 1266524218 /nfs/dbraw/zinc/52/42/18/1266524218.db2.gz JGYSQNLPZVCFTJ-SLFFLAALSA-N 1 3 343.515 2.758 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001033096131 1266524221 /nfs/dbraw/zinc/52/42/21/1266524221.db2.gz JGYSQNLPZVCFTJ-SLFFLAALSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCc1ccccc1 ZINC001273045764 1266695833 /nfs/dbraw/zinc/69/58/33/1266695833.db2.gz VXICEFYXTNIDCR-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCCc1ccccc1 ZINC001273045764 1266695842 /nfs/dbraw/zinc/69/58/42/1266695842.db2.gz VXICEFYXTNIDCR-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004373074 1266796977 /nfs/dbraw/zinc/79/69/77/1266796977.db2.gz UYLLEQMAPZDRDI-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004373074 1266796984 /nfs/dbraw/zinc/79/69/84/1266796984.db2.gz UYLLEQMAPZDRDI-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+]1CCN(C(=N)Nc2ccc(Oc3ccc(Cl)cc3)nn2)CC1 ZINC001168734879 1266799509 /nfs/dbraw/zinc/79/95/09/1266799509.db2.gz CNYLORJASMAOPY-UHFFFAOYSA-N 1 3 346.822 2.516 20 0 EFADHO C[C@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000734527309 1267002802 /nfs/dbraw/zinc/00/28/02/1267002802.db2.gz OZOOYLOFXTWCBF-OAHLLOKOSA-N 1 3 338.540 2.526 20 0 EFADHO CN1CC[NH+](C2CCN([C@@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168735792 1267042160 /nfs/dbraw/zinc/04/21/60/1267042160.db2.gz UYTOHYHIOIGGBH-QGZVFWFLSA-N 1 3 333.907 2.519 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456436 1267084906 /nfs/dbraw/zinc/08/49/06/1267084906.db2.gz GRCSUJCMIZZCDK-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456436 1267084920 /nfs/dbraw/zinc/08/49/20/1267084920.db2.gz GRCSUJCMIZZCDK-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456766 1267085511 /nfs/dbraw/zinc/08/55/11/1267085511.db2.gz HTONUQXTLXNFRJ-UXHICEINSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456766 1267085517 /nfs/dbraw/zinc/08/55/17/1267085517.db2.gz HTONUQXTLXNFRJ-UXHICEINSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456438 1267085738 /nfs/dbraw/zinc/08/57/38/1267085738.db2.gz GRCSUJCMIZZCDK-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456438 1267085741 /nfs/dbraw/zinc/08/57/41/1267085741.db2.gz GRCSUJCMIZZCDK-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCC3CC3)CC2)CCC1 ZINC001004458526 1267093884 /nfs/dbraw/zinc/09/38/84/1267093884.db2.gz PTVCDUJWBKCRHF-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CCC3CC3)CC2)CCC1 ZINC001004458526 1267093897 /nfs/dbraw/zinc/09/38/97/1267093897.db2.gz PTVCDUJWBKCRHF-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033125402 1267150947 /nfs/dbraw/zinc/15/09/47/1267150947.db2.gz CUUQVMSLPKQIOD-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033125402 1267150951 /nfs/dbraw/zinc/15/09/51/1267150951.db2.gz CUUQVMSLPKQIOD-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033127840 1267155605 /nfs/dbraw/zinc/15/56/05/1267155605.db2.gz XKATXEQYPLEZAF-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033127840 1267155610 /nfs/dbraw/zinc/15/56/10/1267155610.db2.gz XKATXEQYPLEZAF-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001033126626 1267170596 /nfs/dbraw/zinc/17/05/96/1267170596.db2.gz NKOPFLMUGAXYDO-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001033126626 1267170597 /nfs/dbraw/zinc/17/05/97/1267170597.db2.gz NKOPFLMUGAXYDO-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033126626 1267170598 /nfs/dbraw/zinc/17/05/98/1267170598.db2.gz NKOPFLMUGAXYDO-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033126626 1267170600 /nfs/dbraw/zinc/17/06/00/1267170600.db2.gz NKOPFLMUGAXYDO-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)C1 ZINC001085333120 1267181932 /nfs/dbraw/zinc/18/19/32/1267181932.db2.gz ZYUKJLSNRYZATB-ATZDWAIDSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623136 1267213455 /nfs/dbraw/zinc/21/34/55/1267213455.db2.gz DOUXFXXOXXXALV-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623136 1267213459 /nfs/dbraw/zinc/21/34/59/1267213459.db2.gz DOUXFXXOXXXALV-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623565 1267215893 /nfs/dbraw/zinc/21/58/93/1267215893.db2.gz MJNNKMKUBFPLAX-YSHGAJCASA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623565 1267215904 /nfs/dbraw/zinc/21/59/04/1267215904.db2.gz MJNNKMKUBFPLAX-YSHGAJCASA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1)C1CC1 ZINC000946623553 1267216651 /nfs/dbraw/zinc/21/66/51/1267216651.db2.gz MEPVIHSKCDPPQF-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1)C1CC1 ZINC000946623553 1267216660 /nfs/dbraw/zinc/21/66/60/1267216660.db2.gz MEPVIHSKCDPPQF-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538828 1267246471 /nfs/dbraw/zinc/24/64/71/1267246471.db2.gz ASWAIEZCZGEZBH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538828 1267246479 /nfs/dbraw/zinc/24/64/79/1267246479.db2.gz ASWAIEZCZGEZBH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004545504 1267266143 /nfs/dbraw/zinc/26/61/43/1267266143.db2.gz CUVPRPOCRMFJCT-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004545504 1267266154 /nfs/dbraw/zinc/26/61/54/1267266154.db2.gz CUVPRPOCRMFJCT-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546030 1267267399 /nfs/dbraw/zinc/26/73/99/1267267399.db2.gz FDISQIGJBRFICS-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546030 1267267407 /nfs/dbraw/zinc/26/74/07/1267267407.db2.gz FDISQIGJBRFICS-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004548735 1267272642 /nfs/dbraw/zinc/27/26/42/1267272642.db2.gz UHEVLYYYUSQHQO-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001004548735 1267272655 /nfs/dbraw/zinc/27/26/55/1267272655.db2.gz UHEVLYYYUSQHQO-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004548562 1267273335 /nfs/dbraw/zinc/27/33/35/1267273335.db2.gz RSBIJSPQLICZOM-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004548562 1267273345 /nfs/dbraw/zinc/27/33/45/1267273345.db2.gz RSBIJSPQLICZOM-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004583188 1267333957 /nfs/dbraw/zinc/33/39/57/1267333957.db2.gz XMFPRIPTPFYHSV-GOSISDBHSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004583188 1267333967 /nfs/dbraw/zinc/33/39/67/1267333967.db2.gz XMFPRIPTPFYHSV-GOSISDBHSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004583190 1267334192 /nfs/dbraw/zinc/33/41/92/1267334192.db2.gz XMFPRIPTPFYHSV-SFHVURJKSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001004583190 1267334196 /nfs/dbraw/zinc/33/41/96/1267334196.db2.gz XMFPRIPTPFYHSV-SFHVURJKSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614840 1267382366 /nfs/dbraw/zinc/38/23/66/1267382366.db2.gz CFPRDEJHWJXPEX-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614840 1267382380 /nfs/dbraw/zinc/38/23/80/1267382380.db2.gz CFPRDEJHWJXPEX-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1)N(C)C ZINC000946642937 1267450248 /nfs/dbraw/zinc/45/02/48/1267450248.db2.gz WWPUNPJSPRDBNX-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2CC1)N(C)C ZINC000946642937 1267450252 /nfs/dbraw/zinc/45/02/52/1267450252.db2.gz WWPUNPJSPRDBNX-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@H](C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079699 1267474015 /nfs/dbraw/zinc/47/40/15/1267474015.db2.gz SUWHIHINKFLHDB-NQIIRXRSSA-N 1 3 343.515 2.809 20 0 EFADHO C[C@H](C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079699 1267474018 /nfs/dbraw/zinc/47/40/18/1267474018.db2.gz SUWHIHINKFLHDB-NQIIRXRSSA-N 1 3 343.515 2.809 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085606619 1267973281 /nfs/dbraw/zinc/97/32/81/1267973281.db2.gz RTBGHSKHQWEKBQ-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085606619 1267973287 /nfs/dbraw/zinc/97/32/87/1267973287.db2.gz RTBGHSKHQWEKBQ-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639055 1268093076 /nfs/dbraw/zinc/09/30/76/1268093076.db2.gz HBMZXUWAGWJMFM-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639055 1268093089 /nfs/dbraw/zinc/09/30/89/1268093089.db2.gz HBMZXUWAGWJMFM-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668604 1268150592 /nfs/dbraw/zinc/15/05/92/1268150592.db2.gz HKMONNBBAHVWQT-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695361 1268208880 /nfs/dbraw/zinc/20/88/80/1268208880.db2.gz HSLHQYBWEYWGEL-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2cccc(F)c12 ZINC001136982956 1278400866 /nfs/dbraw/zinc/40/08/66/1278400866.db2.gz LAKLQIVILSQCJF-ZWKOTPCHSA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c[nH]c2cccc(F)c12 ZINC001136982956 1278400884 /nfs/dbraw/zinc/40/08/84/1278400884.db2.gz LAKLQIVILSQCJF-ZWKOTPCHSA-N 1 3 330.451 2.517 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776921 1268465131 /nfs/dbraw/zinc/46/51/31/1268465131.db2.gz XDXAKVONRRHBRE-GBESFXJTSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776921 1268465133 /nfs/dbraw/zinc/46/51/33/1268465133.db2.gz XDXAKVONRRHBRE-GBESFXJTSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779221 1268508973 /nfs/dbraw/zinc/50/89/73/1268508973.db2.gz KCYHTVJGDMUGOK-YSIASYRMSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779221 1268508979 /nfs/dbraw/zinc/50/89/79/1268508979.db2.gz KCYHTVJGDMUGOK-YSIASYRMSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2cccs2)CC[N@@H+]1C ZINC001085783754 1268519442 /nfs/dbraw/zinc/51/94/42/1268519442.db2.gz CZMHZROJMPPCPV-ULQDDVLXSA-N 1 3 349.544 2.554 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2cccs2)CC[N@H+]1C ZINC001085783754 1268519444 /nfs/dbraw/zinc/51/94/44/1268519444.db2.gz CZMHZROJMPPCPV-ULQDDVLXSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085799416 1268595913 /nfs/dbraw/zinc/59/59/13/1268595913.db2.gz QKOBVRQRDBYALR-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799736 1268596894 /nfs/dbraw/zinc/59/68/94/1268596894.db2.gz ZYZHDOYHPSXDJJ-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CN(C[C@@H]1CCN1[C@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001085799271 1268597020 /nfs/dbraw/zinc/59/70/20/1268597020.db2.gz NTJJCXGIYGHBLC-ICSRJNTNSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033294738 1268691053 /nfs/dbraw/zinc/69/10/53/1268691053.db2.gz CZZOYKDNKUILRE-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033294738 1268691064 /nfs/dbraw/zinc/69/10/64/1268691064.db2.gz CZZOYKDNKUILRE-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C)N1CC[C@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128755 1268693150 /nfs/dbraw/zinc/69/31/50/1268693150.db2.gz WJXADQXDFLHBDZ-FXAWDEMLSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)N1CC[C@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128755 1268693152 /nfs/dbraw/zinc/69/31/52/1268693152.db2.gz WJXADQXDFLHBDZ-FXAWDEMLSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128759 1268694332 /nfs/dbraw/zinc/69/43/32/1268694332.db2.gz WJXADQXDFLHBDZ-XLIONFOSSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128759 1268694338 /nfs/dbraw/zinc/69/43/38/1268694338.db2.gz WJXADQXDFLHBDZ-XLIONFOSSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808103 1268773442 /nfs/dbraw/zinc/77/34/42/1268773442.db2.gz JCYDOWQIOJHJEV-OTWHNJEPSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808103 1268773451 /nfs/dbraw/zinc/77/34/51/1268773451.db2.gz JCYDOWQIOJHJEV-OTWHNJEPSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001085856436 1268807024 /nfs/dbraw/zinc/80/70/24/1268807024.db2.gz ZADWRLFYTZKIAR-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001085856436 1268807040 /nfs/dbraw/zinc/80/70/40/1268807040.db2.gz ZADWRLFYTZKIAR-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354682 1268935046 /nfs/dbraw/zinc/93/50/46/1268935046.db2.gz RJYLWMAGFBLITH-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354682 1268935049 /nfs/dbraw/zinc/93/50/49/1268935049.db2.gz RJYLWMAGFBLITH-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001033358757 1268962361 /nfs/dbraw/zinc/96/23/61/1268962361.db2.gz PPALSRXUASNAKH-YSIASYRMSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001033358757 1268962367 /nfs/dbraw/zinc/96/23/67/1268962367.db2.gz PPALSRXUASNAKH-YSIASYRMSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001033419039 1269099794 /nfs/dbraw/zinc/09/97/94/1269099794.db2.gz GHVOSVGVIMIPKG-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001033419039 1269099804 /nfs/dbraw/zinc/09/98/04/1269099804.db2.gz GHVOSVGVIMIPKG-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033420988 1269125794 /nfs/dbraw/zinc/12/57/94/1269125794.db2.gz SVGIJCCFHMSQJZ-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033420988 1269125799 /nfs/dbraw/zinc/12/57/99/1269125799.db2.gz SVGIJCCFHMSQJZ-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC001033476790 1269226816 /nfs/dbraw/zinc/22/68/16/1269226816.db2.gz XNTAIUSXMKLEIN-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001409967209 1269443702 /nfs/dbraw/zinc/44/37/02/1269443702.db2.gz PMWOUXYPEMHCOZ-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798695 1269509395 /nfs/dbraw/zinc/50/93/95/1269509395.db2.gz BBHOZLICBVNRAI-RBUKOAKNSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798695 1269509404 /nfs/dbraw/zinc/50/94/04/1269509404.db2.gz BBHOZLICBVNRAI-RBUKOAKNSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798695 1269509408 /nfs/dbraw/zinc/50/94/08/1269509408.db2.gz BBHOZLICBVNRAI-RBUKOAKNSA-N 1 3 345.487 2.719 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033662153 1269761648 /nfs/dbraw/zinc/76/16/48/1269761648.db2.gz OECSTRKWJCRGLF-VQTJNVASSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033662153 1269761654 /nfs/dbraw/zinc/76/16/54/1269761654.db2.gz OECSTRKWJCRGLF-VQTJNVASSA-N 1 3 343.515 2.794 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001033683192 1269787487 /nfs/dbraw/zinc/78/74/87/1269787487.db2.gz GMFWLPKEKGOYEF-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001033683192 1269787498 /nfs/dbraw/zinc/78/74/98/1269787498.db2.gz GMFWLPKEKGOYEF-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686158 1269798058 /nfs/dbraw/zinc/79/80/58/1269798058.db2.gz NZTHTEDKBIXMNP-RDJZCZTQSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686158 1269798066 /nfs/dbraw/zinc/79/80/66/1269798066.db2.gz NZTHTEDKBIXMNP-RDJZCZTQSA-N 1 3 335.467 2.643 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687151 1269806216 /nfs/dbraw/zinc/80/62/16/1269806216.db2.gz YVSNEOFHDHKVNN-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687151 1269806221 /nfs/dbraw/zinc/80/62/21/1269806221.db2.gz YVSNEOFHDHKVNN-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086084831 1269857945 /nfs/dbraw/zinc/85/79/45/1269857945.db2.gz IGXQKDCVOFOWIJ-NZSAHSFTSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086084897 1269859105 /nfs/dbraw/zinc/85/91/05/1269859105.db2.gz JZGGGPZVLSGQFM-IXDOHACOSA-N 1 3 335.517 2.605 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001410859882 1269899710 /nfs/dbraw/zinc/89/97/10/1269899710.db2.gz LKHPPVXWLOQJBL-OSKOBQJQSA-N 1 3 341.499 2.763 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001086102381 1269974412 /nfs/dbraw/zinc/97/44/12/1269974412.db2.gz UDEKGMAOQAEFEO-YZGWKJHDSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086102444 1269974572 /nfs/dbraw/zinc/97/45/72/1269974572.db2.gz XMXPVEDGWUVKCJ-BBWFWOEESA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H]1C ZINC001410874098 1269986091 /nfs/dbraw/zinc/98/60/91/1269986091.db2.gz WEOOEWOQXVOFOR-QAPCUYQASA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC001410875993 1269994839 /nfs/dbraw/zinc/99/48/39/1269994839.db2.gz KQPYXVVQCXWLJU-OXJNMPFZSA-N 1 3 343.515 2.596 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001410876018 1269995492 /nfs/dbraw/zinc/99/54/92/1269995492.db2.gz KQPYXVVQCXWLJU-UZLBHIALSA-N 1 3 343.515 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2sccc2Cl)C[C@H]1C ZINC001410893868 1270122877 /nfs/dbraw/zinc/12/28/77/1270122877.db2.gz WGRPNVSTMUXXNL-OLZOCXBDSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2sccc2Cl)C[C@H]1C ZINC001410893868 1270122880 /nfs/dbraw/zinc/12/28/80/1270122880.db2.gz WGRPNVSTMUXXNL-OLZOCXBDSA-N 1 3 343.924 2.822 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC/C(Cl)=C\Cl)C2)CC1 ZINC001410941056 1270305197 /nfs/dbraw/zinc/30/51/97/1270305197.db2.gz JVNYQAQLOQFOIW-SWKXHUPFSA-N 1 3 348.318 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001410946454 1270352605 /nfs/dbraw/zinc/35/26/05/1270352605.db2.gz BORZRPTUIVYIFP-WMZOPIPTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033853483 1270386570 /nfs/dbraw/zinc/38/65/70/1270386570.db2.gz BTXVMNXQHRZIOY-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033853483 1270386579 /nfs/dbraw/zinc/38/65/79/1270386579.db2.gz BTXVMNXQHRZIOY-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001410952131 1270421908 /nfs/dbraw/zinc/42/19/08/1270421908.db2.gz KJUFDPCPWYWCAJ-ROUUACIJSA-N 1 3 329.488 2.545 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128774667 1270497533 /nfs/dbraw/zinc/49/75/33/1270497533.db2.gz WFADGQOIFNZDFY-INIZCTEOSA-N 1 3 341.858 2.559 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128774667 1270497538 /nfs/dbraw/zinc/49/75/38/1270497538.db2.gz WFADGQOIFNZDFY-INIZCTEOSA-N 1 3 341.858 2.559 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccccc1OC(C)C ZINC001128773781 1270522047 /nfs/dbraw/zinc/52/20/47/1270522047.db2.gz DSHVETJOLJUQGC-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccccc1OC(C)C ZINC001128773781 1270522053 /nfs/dbraw/zinc/52/20/53/1270522053.db2.gz DSHVETJOLJUQGC-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128783601 1270645574 /nfs/dbraw/zinc/64/55/74/1270645574.db2.gz IOKTXLXNQUWYRZ-CXAGYDPISA-N 1 3 339.430 2.606 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128783601 1270645579 /nfs/dbraw/zinc/64/55/79/1270645579.db2.gz IOKTXLXNQUWYRZ-CXAGYDPISA-N 1 3 339.430 2.606 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086251006 1270681866 /nfs/dbraw/zinc/68/18/66/1270681866.db2.gz WZDPEJXCFAFRBD-CEXWTWQISA-N 1 3 335.536 2.926 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033941320 1270705143 /nfs/dbraw/zinc/70/51/43/1270705143.db2.gz PNGMNVMZPDQRRP-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033942145 1270706195 /nfs/dbraw/zinc/70/61/95/1270706195.db2.gz YEWNXKAIURQEQH-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@H]1CCc2c1cccc2F ZINC001493049757 1270886318 /nfs/dbraw/zinc/88/63/18/1270886318.db2.gz UMIJKJFJGBPMOA-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@H]1CCc2c1cccc2F ZINC001493049757 1270886329 /nfs/dbraw/zinc/88/63/29/1270886329.db2.gz UMIJKJFJGBPMOA-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273419774 1270945831 /nfs/dbraw/zinc/94/58/31/1270945831.db2.gz RGJHEWWIJPJDLM-QEVIJRNUSA-N 1 3 341.499 2.895 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273419774 1270945836 /nfs/dbraw/zinc/94/58/36/1270945836.db2.gz RGJHEWWIJPJDLM-QEVIJRNUSA-N 1 3 341.499 2.895 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045102 1270954155 /nfs/dbraw/zinc/95/41/55/1270954155.db2.gz OKIBWGRBNUPDKE-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045102 1270954162 /nfs/dbraw/zinc/95/41/62/1270954162.db2.gz OKIBWGRBNUPDKE-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086364531 1271168525 /nfs/dbraw/zinc/16/85/25/1271168525.db2.gz INSODFWZZIRIEQ-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086364577 1271169158 /nfs/dbraw/zinc/16/91/58/1271169158.db2.gz JZGGGPZVLSGQFM-ULQDDVLXSA-N 1 3 335.517 2.605 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086381870 1271224748 /nfs/dbraw/zinc/22/47/48/1271224748.db2.gz LPKYASOSDUAGMK-WDSOQIARSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001086382109 1271225332 /nfs/dbraw/zinc/22/53/32/1271225332.db2.gz UDEKGMAOQAEFEO-IHPCNDPISA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001034214378 1271373794 /nfs/dbraw/zinc/37/37/94/1271373794.db2.gz LDPCNTJQFZRWDL-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001034214378 1271373800 /nfs/dbraw/zinc/37/38/00/1271373800.db2.gz LDPCNTJQFZRWDL-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C1CN(Cc2ccc(CF)cc2)C1)[NH+](C)C ZINC001409974981 1271426760 /nfs/dbraw/zinc/42/67/60/1271426760.db2.gz XKBZPZGMRGRSRW-DNVCBOLYSA-N 1 3 349.494 2.679 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC001034269469 1271509809 /nfs/dbraw/zinc/50/98/09/1271509809.db2.gz FDXAGRSSFTYILI-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001034269469 1271509814 /nfs/dbraw/zinc/50/98/14/1271509814.db2.gz FDXAGRSSFTYILI-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034289341 1271571080 /nfs/dbraw/zinc/57/10/80/1271571080.db2.gz TUCRRCOVXXMCOM-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034289341 1271571085 /nfs/dbraw/zinc/57/10/85/1271571085.db2.gz TUCRRCOVXXMCOM-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](F)CN1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291605 1271574474 /nfs/dbraw/zinc/57/44/74/1271574474.db2.gz MKUSIASIUXBVKW-HZPDHXFCSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291605 1271574480 /nfs/dbraw/zinc/57/44/80/1271574480.db2.gz MKUSIASIUXBVKW-HZPDHXFCSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291605 1271574488 /nfs/dbraw/zinc/57/44/88/1271574488.db2.gz MKUSIASIUXBVKW-HZPDHXFCSA-N 1 3 332.423 2.667 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001168754724 1271827693 /nfs/dbraw/zinc/82/76/93/1271827693.db2.gz AMAMCCKLGFVBKR-UHFFFAOYSA-N 1 3 333.501 2.839 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001034439031 1272003612 /nfs/dbraw/zinc/00/36/12/1272003612.db2.gz SIQNQYKLHWOKIM-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001034439031 1272003620 /nfs/dbraw/zinc/00/36/20/1272003620.db2.gz SIQNQYKLHWOKIM-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001411233022 1272086343 /nfs/dbraw/zinc/08/63/43/1272086343.db2.gz FOMQXEOPNJPQGA-ACBHZAAOSA-N 1 3 331.504 2.660 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001034489871 1272106451 /nfs/dbraw/zinc/10/64/51/1272106451.db2.gz FELGVTGYFRPXGZ-QGZVFWFLSA-N 1 3 347.528 2.623 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773217 1272207624 /nfs/dbraw/zinc/20/76/24/1272207624.db2.gz SBYBNAKQPCOLIZ-FXAWDEMLSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773217 1272207637 /nfs/dbraw/zinc/20/76/37/1272207637.db2.gz SBYBNAKQPCOLIZ-FXAWDEMLSA-N 1 3 328.431 2.971 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168809941 1272415873 /nfs/dbraw/zinc/41/58/73/1272415873.db2.gz YQOHKBDPZCRJRX-HOCLYGCPSA-N 1 3 325.497 2.847 20 0 EFADHO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccc2c(n1)CNCC2 ZINC001168995964 1272573329 /nfs/dbraw/zinc/57/33/29/1272573329.db2.gz OQRUJBFUOMOYGC-UHFFFAOYSA-N 1 3 341.846 2.611 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)C2 ZINC001169090287 1272667372 /nfs/dbraw/zinc/66/73/72/1272667372.db2.gz JHTLJGSDCGVORJ-ARKGTOAJSA-N 1 3 341.471 2.549 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001169089800 1272667723 /nfs/dbraw/zinc/66/77/23/1272667723.db2.gz GBJOPXJIIKXPPI-LDLYASANSA-N 1 3 342.483 2.692 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001169089800 1272667735 /nfs/dbraw/zinc/66/77/35/1272667735.db2.gz GBJOPXJIIKXPPI-LDLYASANSA-N 1 3 342.483 2.692 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3(C)COC3)c(F)c1)C2 ZINC001169119374 1272674742 /nfs/dbraw/zinc/67/47/42/1272674742.db2.gz SANYFAWECHFFBB-OSYLJGHBSA-N 1 3 348.462 2.956 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001169131371 1272686509 /nfs/dbraw/zinc/68/65/09/1272686509.db2.gz SQQJOYDKXDLDDD-IJTOGUNISA-N 1 3 331.529 2.737 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001169131371 1272686520 /nfs/dbraw/zinc/68/65/20/1272686520.db2.gz SQQJOYDKXDLDDD-IJTOGUNISA-N 1 3 331.529 2.737 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@H]3C2)cc1 ZINC001169133017 1272692546 /nfs/dbraw/zinc/69/25/46/1272692546.db2.gz BLFMKIZNQQNTCQ-YXIAPDDASA-N 1 3 339.527 2.984 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169132985 1272693234 /nfs/dbraw/zinc/69/32/34/1272693234.db2.gz AYRBXELAERVIGZ-MFKWGIFDSA-N 1 3 334.504 2.662 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169132985 1272693245 /nfs/dbraw/zinc/69/32/45/1272693245.db2.gz AYRBXELAERVIGZ-MFKWGIFDSA-N 1 3 334.504 2.662 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145470 1272706692 /nfs/dbraw/zinc/70/66/92/1272706692.db2.gz MSTDPSXMHKZFGK-VVLHAWIVSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145470 1272706700 /nfs/dbraw/zinc/70/67/00/1272706700.db2.gz MSTDPSXMHKZFGK-VVLHAWIVSA-N 1 3 337.508 2.943 20 0 EFADHO COC(=O)[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001169152904 1272713859 /nfs/dbraw/zinc/71/38/59/1272713859.db2.gz FLSNIUDHYGEZPT-ZRSRNVLSSA-N 1 3 346.446 2.639 20 0 EFADHO COC(=O)[C@H]1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001169152904 1272713862 /nfs/dbraw/zinc/71/38/62/1272713862.db2.gz FLSNIUDHYGEZPT-ZRSRNVLSSA-N 1 3 346.446 2.639 20 0 EFADHO CC1(C)C[C@@H](Nc2ccc3c(c2)COC32CNC2)C[C@](C)(C[NH3+])C1 ZINC001169154302 1272714537 /nfs/dbraw/zinc/71/45/37/1272714537.db2.gz WKMMMTSAPWCEED-APWZRJJASA-N 1 3 329.488 2.971 20 0 EFADHO CC1(C)C[C@H](Nc2ccc3c(c2)COC32CNC2)C[C@@](C)(C[NH3+])C1 ZINC001169154304 1272715587 /nfs/dbraw/zinc/71/55/87/1272715587.db2.gz WKMMMTSAPWCEED-QFBILLFUSA-N 1 3 329.488 2.971 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](NC(=O)c3ccc(F)cc3)C1)C2 ZINC001169153235 1272715821 /nfs/dbraw/zinc/71/58/21/1272715821.db2.gz HFQQKXJCFSILFF-AKHDSKFASA-N 1 3 345.462 2.645 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](NC(=O)c3ccc(F)cc3)C1)C2 ZINC001169153235 1272715828 /nfs/dbraw/zinc/71/58/28/1272715828.db2.gz HFQQKXJCFSILFF-AKHDSKFASA-N 1 3 345.462 2.645 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001169154205 1272716922 /nfs/dbraw/zinc/71/69/22/1272716922.db2.gz NZMUWYVENGIVDM-REPLKXPHSA-N 1 3 333.520 2.773 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001169154205 1272716928 /nfs/dbraw/zinc/71/69/28/1272716928.db2.gz NZMUWYVENGIVDM-REPLKXPHSA-N 1 3 333.520 2.773 20 0 EFADHO CCN1CCC([NH2+]C2CCN(CCc3ccc(OC)cc3)CC2)CC1 ZINC001169233961 1272747748 /nfs/dbraw/zinc/74/77/48/1272747748.db2.gz ZASHBGULWJOSRS-UHFFFAOYSA-N 1 3 345.531 2.776 20 0 EFADHO CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732499 1272755690 /nfs/dbraw/zinc/75/56/90/1272755690.db2.gz CMAQEGKSJNEIJD-MPGHIAIKSA-N 1 3 327.488 2.626 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034733393 1272759778 /nfs/dbraw/zinc/75/97/78/1272759778.db2.gz BFTJLFBTUZRTDJ-WDSOQIARSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCCCC3)CC2)C1 ZINC001034733392 1272759850 /nfs/dbraw/zinc/75/98/50/1272759850.db2.gz BFTJLFBTUZRTDJ-BHIYHBOVSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)C1 ZINC001034733359 1272759966 /nfs/dbraw/zinc/75/99/66/1272759966.db2.gz XAVGFSFHKNQYID-GPMSIDNRSA-N 1 3 339.499 2.626 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001034735619 1272762550 /nfs/dbraw/zinc/76/25/50/1272762550.db2.gz JKIXPKQSHSBHIB-MISYRCLQSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001034735989 1272763177 /nfs/dbraw/zinc/76/31/77/1272763177.db2.gz RMWDNOFGTVMZBL-SNRMKQJTSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1 ZINC001034735631 1272763417 /nfs/dbraw/zinc/76/34/17/1272763417.db2.gz JUEUTXQKMPAKBE-MISYRCLQSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1 ZINC001034735630 1272763480 /nfs/dbraw/zinc/76/34/80/1272763480.db2.gz JUEUTXQKMPAKBE-IHPCNDPISA-N 1 3 343.515 2.730 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034737521 1272788064 /nfs/dbraw/zinc/78/80/64/1272788064.db2.gz LBFXTIGVFWKVPU-XIRDDKMYSA-N 1 3 335.517 2.749 20 0 EFADHO CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273136802 1272844209 /nfs/dbraw/zinc/84/42/09/1272844209.db2.gz ZMCLPZDWCPNBHH-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001169453066 1272926615 /nfs/dbraw/zinc/92/66/15/1272926615.db2.gz TZDODKRQQYUZIH-INIZCTEOSA-N 1 3 349.494 2.809 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001169452729 1272927223 /nfs/dbraw/zinc/92/72/23/1272927223.db2.gz QPDCORWZPKCCBG-OAHLLOKOSA-N 1 3 335.467 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001034786154 1272962858 /nfs/dbraw/zinc/96/28/58/1272962858.db2.gz KCKVVRFSTRXVKF-WKILWMFISA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001034786991 1272963728 /nfs/dbraw/zinc/96/37/28/1272963728.db2.gz UZDMLZKVLNXRIH-QAQDUYKDSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001034787082 1272963826 /nfs/dbraw/zinc/96/38/26/1272963826.db2.gz WXXVHJOMULSYFY-QAQDUYKDSA-N 1 3 344.434 2.617 20 0 EFADHO CC(=O)N1CC[C@H](N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001169559703 1273004667 /nfs/dbraw/zinc/00/46/67/1273004667.db2.gz IYOXTLHKJZSEKF-QGLKVJOYSA-N 1 3 343.515 2.502 20 0 EFADHO CC(=O)N1CC[C@H](N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001169559703 1273004678 /nfs/dbraw/zinc/00/46/78/1273004678.db2.gz IYOXTLHKJZSEKF-QGLKVJOYSA-N 1 3 343.515 2.502 20 0 EFADHO CC(C)N1CCN(Cc2ccc(NCC[C@H]3CCC[NH2+]3)c(F)c2)CC1 ZINC001169569410 1273014032 /nfs/dbraw/zinc/01/40/32/1273014032.db2.gz OZTCXNVHGKZEBU-GOSISDBHSA-N 1 3 348.510 2.906 20 0 EFADHO CC(=O)N1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)C1 ZINC001169546935 1273022715 /nfs/dbraw/zinc/02/27/15/1273022715.db2.gz SYORDFMVRSWMAD-FIRPJDEBSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@H](N2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)C1 ZINC001169546935 1273022721 /nfs/dbraw/zinc/02/27/21/1273022721.db2.gz SYORDFMVRSWMAD-FIRPJDEBSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@H]([N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)C1 ZINC001169546935 1273022733 /nfs/dbraw/zinc/02/27/33/1273022733.db2.gz SYORDFMVRSWMAD-FIRPJDEBSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@H]([N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)C1 ZINC001169546935 1273022745 /nfs/dbraw/zinc/02/27/45/1273022745.db2.gz SYORDFMVRSWMAD-FIRPJDEBSA-N 1 3 341.499 2.718 20 0 EFADHO Cc1cc(Br)cnc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206014079 1273054558 /nfs/dbraw/zinc/05/45/58/1273054558.db2.gz VXSKSZIJVKNRCY-QWHCGFSZSA-N 1 3 326.282 2.959 20 0 EFADHO CCOC(=O)N1CCC[C@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC001169644989 1273060722 /nfs/dbraw/zinc/06/07/22/1273060722.db2.gz KQLXANXNUOGRND-KRWDZBQOSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001129341781 1273087122 /nfs/dbraw/zinc/08/71/22/1273087122.db2.gz ZFUUNRKHXYBXIP-INIZCTEOSA-N 1 3 337.895 2.524 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001129341781 1273087129 /nfs/dbraw/zinc/08/71/29/1273087129.db2.gz ZFUUNRKHXYBXIP-INIZCTEOSA-N 1 3 337.895 2.524 20 0 EFADHO CCOC(=O)N1CCC[C@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001169714651 1273116772 /nfs/dbraw/zinc/11/67/72/1273116772.db2.gz WLJBDDQZXMXXMP-KRWDZBQOSA-N 1 3 346.475 2.523 20 0 EFADHO CCOC(=O)N1CCC[C@@H](N2CCN(c3cc[nH+]c(C)c3)CC2)CC1 ZINC001169714652 1273117054 /nfs/dbraw/zinc/11/70/54/1273117054.db2.gz WLJBDDQZXMXXMP-QGZVFWFLSA-N 1 3 346.475 2.523 20 0 EFADHO C[NH+](C)CCC(C)(C)Nc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001169715802 1273118850 /nfs/dbraw/zinc/11/88/50/1273118850.db2.gz ILKYDVNABUXCEL-UHFFFAOYSA-N 1 3 335.496 2.667 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034885288 1273149409 /nfs/dbraw/zinc/14/94/09/1273149409.db2.gz SGCCEGJWKSJTCH-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CCCC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@H]1CCCN1C ZINC001169809936 1273175572 /nfs/dbraw/zinc/17/55/72/1273175572.db2.gz MLXIOAFSJBQABD-NKMUALHBSA-N 1 3 336.307 2.664 20 0 EFADHO [NH3+]C1(c2cccc(F)c2)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169921862 1273261955 /nfs/dbraw/zinc/26/19/55/1273261955.db2.gz AZYMHNPZPJOTEB-QGZVFWFLSA-N 1 3 334.435 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001034956911 1273269711 /nfs/dbraw/zinc/26/97/11/1273269711.db2.gz FXNHMSSYQNTNHG-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001034957084 1273271760 /nfs/dbraw/zinc/27/17/60/1273271760.db2.gz JPCVNXRLZICMOB-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001034957968 1273272962 /nfs/dbraw/zinc/27/29/62/1273272962.db2.gz RJOXOQMUZPXFID-HXUWFJFHSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)C1CCC1 ZINC001034957904 1273272983 /nfs/dbraw/zinc/27/29/83/1273272983.db2.gz OPZJRCQUOKASGK-LJQANCHMSA-N 1 3 347.478 2.721 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001034972279 1273289718 /nfs/dbraw/zinc/28/97/18/1273289718.db2.gz DVWVROLYKIOTAA-AEFFLSMTSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001034975285 1273298405 /nfs/dbraw/zinc/29/84/05/1273298405.db2.gz QAWHLJDCNRPRPG-MISYRCLQSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001034974875 1273298446 /nfs/dbraw/zinc/29/84/46/1273298446.db2.gz KONUEZIEPWXIFP-ARFHVFGLSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001034960925 1273312082 /nfs/dbraw/zinc/31/20/82/1273312082.db2.gz ONWROKITLPTBRJ-IEBWSBKVSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001034960963 1273312432 /nfs/dbraw/zinc/31/24/32/1273312432.db2.gz QJTNCEFDSDUVOU-MSOLQXFVSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001034964245 1273317782 /nfs/dbraw/zinc/31/77/82/1273317782.db2.gz DQKJWQOSVBVYJT-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001034964244 1273317898 /nfs/dbraw/zinc/31/78/98/1273317898.db2.gz DQFHCIRMNJOVIS-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001034964812 1273319279 /nfs/dbraw/zinc/31/92/79/1273319279.db2.gz YWCBXKVSDOBHHO-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001034967034 1273320723 /nfs/dbraw/zinc/32/07/23/1273320723.db2.gz YEXCFKAPCGHHRW-XHSDSOJGSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1)N(C)C ZINC001034966169 1273321410 /nfs/dbraw/zinc/32/14/10/1273321410.db2.gz PQQFBVYPCBIGJF-QRQLOZEOSA-N 1 3 331.504 2.914 20 0 EFADHO [NH3+]CCc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000844165137 1278777383 /nfs/dbraw/zinc/77/73/83/1278777383.db2.gz PSAVDWWBZYAKKD-UHFFFAOYSA-N 1 3 337.467 2.714 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]C/C=C/c2ccc(Cl)cc2)CCC1 ZINC001129356768 1273372582 /nfs/dbraw/zinc/37/25/82/1273372582.db2.gz HLMAZSGXVAICHC-HWKANZROSA-N 1 3 335.879 2.543 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703573 1273376875 /nfs/dbraw/zinc/37/68/75/1273376875.db2.gz RBNZALJMUXMWRH-UWBQZYMWSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703930 1273377829 /nfs/dbraw/zinc/37/78/29/1273377829.db2.gz XFVZUMGCNUIFEZ-KSZLIROESA-N 1 3 335.536 2.876 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC1 ZINC001035037226 1273420579 /nfs/dbraw/zinc/42/05/79/1273420579.db2.gz VOWYTOHAHIWISA-QGZVFWFLSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1F ZINC000844188606 1278783968 /nfs/dbraw/zinc/78/39/68/1278783968.db2.gz XKWPTCGDIVWKBP-SFHVURJKSA-N 1 3 327.403 2.713 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC001035040275 1273427226 /nfs/dbraw/zinc/42/72/26/1273427226.db2.gz YEXCFKAPCGHHRW-ARFHVFGLSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001035062325 1273448969 /nfs/dbraw/zinc/44/89/69/1273448969.db2.gz FRKDJOWIEHWJAP-NVXWUHKLSA-N 1 3 326.444 2.602 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035047376 1273462100 /nfs/dbraw/zinc/46/21/00/1273462100.db2.gz BJVKAVWUGLQLRW-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035047376 1273462103 /nfs/dbraw/zinc/46/21/03/1273462103.db2.gz BJVKAVWUGLQLRW-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)c1 ZINC001035048404 1273465696 /nfs/dbraw/zinc/46/56/96/1273465696.db2.gz QIDPRZHXHQGRCR-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764555 1273467512 /nfs/dbraw/zinc/46/75/12/1273467512.db2.gz PDIYHSDMMGUONU-KSZLIROESA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1C ZINC001035050196 1273467712 /nfs/dbraw/zinc/46/77/12/1273467712.db2.gz WVRNIZHTPKJDJI-OXJNMPFZSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001035050229 1273468474 /nfs/dbraw/zinc/46/84/74/1273468474.db2.gz XONKJRKOGFSKGL-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001035051958 1273469842 /nfs/dbraw/zinc/46/98/42/1273469842.db2.gz AWAVDFVZLQYZMV-ZMYBRWDISA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001035052142 1273469886 /nfs/dbraw/zinc/46/98/86/1273469886.db2.gz FOTFMTNOAWPCIT-LMMKCTJWSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001035052143 1273469967 /nfs/dbraw/zinc/46/99/67/1273469967.db2.gz FOTFMTNOAWPCIT-SCTDSRPQSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001035051881 1273470089 /nfs/dbraw/zinc/47/00/89/1273470089.db2.gz TVEBWAMIOVTRIM-MAUKXSAKSA-N 1 3 349.906 2.905 20 0 EFADHO CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765956 1273470601 /nfs/dbraw/zinc/47/06/01/1273470601.db2.gz VLTVRONHQQEINT-BZSNNMDCSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001035052372 1273471096 /nfs/dbraw/zinc/47/10/96/1273471096.db2.gz MCUOTAYHEVYETR-OLMNPRSZSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c(C)c1 ZINC001035052391 1273471515 /nfs/dbraw/zinc/47/15/15/1273471515.db2.gz WSOGSECQRLKKFJ-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001035102403 1273516042 /nfs/dbraw/zinc/51/60/42/1273516042.db2.gz HEAIEMKBJGSIPU-HZPDHXFCSA-N 1 3 345.462 2.563 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001035125521 1273590278 /nfs/dbraw/zinc/59/02/78/1273590278.db2.gz IVONCVNBNUDYGT-PKOBYXMFSA-N 1 3 329.488 2.732 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1sccc1Cl ZINC001035127769 1273592144 /nfs/dbraw/zinc/59/21/44/1273592144.db2.gz ZAWUENVOMBNIFI-CYBMUJFWSA-N 1 3 341.908 2.578 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001035132123 1273601226 /nfs/dbraw/zinc/60/12/26/1273601226.db2.gz ZVWBSUQMSOEENZ-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001035132948 1273602501 /nfs/dbraw/zinc/60/25/01/1273602501.db2.gz FKFIOBCSAQESJO-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001035132682 1273602633 /nfs/dbraw/zinc/60/26/33/1273602633.db2.gz CQKCICQFAFRVMK-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035132973 1273602707 /nfs/dbraw/zinc/60/27/07/1273602707.db2.gz HCAXVNTYLPJEMI-SJORKVTESA-N 1 3 335.517 2.703 20 0 EFADHO [NH3+]CCCCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000844200414 1278805612 /nfs/dbraw/zinc/80/56/12/1278805612.db2.gz UDAHGMFEABQFPF-KRWDZBQOSA-N 1 3 335.467 2.673 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196463 1273757691 /nfs/dbraw/zinc/75/76/91/1273757691.db2.gz KSARGPNWSKOEQS-SFHVURJKSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196463 1273757696 /nfs/dbraw/zinc/75/76/96/1273757696.db2.gz KSARGPNWSKOEQS-SFHVURJKSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194034 1273814550 /nfs/dbraw/zinc/81/45/50/1273814550.db2.gz SVGNUTXNFGHQHO-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194034 1273814557 /nfs/dbraw/zinc/81/45/57/1273814557.db2.gz SVGNUTXNFGHQHO-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194352 1273817591 /nfs/dbraw/zinc/81/75/91/1273817591.db2.gz IVKGKTNMLPRERX-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194352 1273817595 /nfs/dbraw/zinc/81/75/95/1273817595.db2.gz IVKGKTNMLPRERX-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194562 1273817878 /nfs/dbraw/zinc/81/78/78/1273817878.db2.gz SQAODMZABQJDIF-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194562 1273817883 /nfs/dbraw/zinc/81/78/83/1273817883.db2.gz SQAODMZABQJDIF-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN2CCC[C@H]2C)CC3)C1 ZINC001035226680 1273846262 /nfs/dbraw/zinc/84/62/62/1273846262.db2.gz KAASUOYXHXIFNL-JLAWEPINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN2CCC[C@H]2C)CC3)C1 ZINC001035226680 1273846274 /nfs/dbraw/zinc/84/62/74/1273846274.db2.gz KAASUOYXHXIFNL-JLAWEPINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(CC[N@H+](CCC4CC4)C3)CC2)C1 ZINC001035227663 1273849047 /nfs/dbraw/zinc/84/90/47/1273849047.db2.gz UYOWQRPPPVQPLP-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(CC[N@@H+](CCC4CC4)C3)CC2)C1 ZINC001035227663 1273849054 /nfs/dbraw/zinc/84/90/54/1273849054.db2.gz UYOWQRPPPVQPLP-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227400 1273850808 /nfs/dbraw/zinc/85/08/08/1273850808.db2.gz QPXFQGBPSZXHQZ-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227400 1273850817 /nfs/dbraw/zinc/85/08/17/1273850817.db2.gz QPXFQGBPSZXHQZ-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](C(=O)N1CCC2(CCN(CCF)C2)CC1)[NH+]1CCCCCC1 ZINC001035233485 1273884646 /nfs/dbraw/zinc/88/46/46/1273884646.db2.gz FIXGXCYMFCDJQO-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035229456 1273933085 /nfs/dbraw/zinc/93/30/85/1273933085.db2.gz MCFJHZCZQZBSSJ-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035229456 1273933091 /nfs/dbraw/zinc/93/30/91/1273933091.db2.gz MCFJHZCZQZBSSJ-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035260517 1273954680 /nfs/dbraw/zinc/95/46/80/1273954680.db2.gz XXMOBIZZVWLPET-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035260517 1273954686 /nfs/dbraw/zinc/95/46/86/1273954686.db2.gz XXMOBIZZVWLPET-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359460 1274190043 /nfs/dbraw/zinc/19/00/43/1274190043.db2.gz MMDQKWZYAWQYDF-WYOBXGJPSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359460 1274190047 /nfs/dbraw/zinc/19/00/47/1274190047.db2.gz MMDQKWZYAWQYDF-WYOBXGJPSA-N 1 3 339.499 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001109427042 1274264127 /nfs/dbraw/zinc/26/41/27/1274264127.db2.gz LMKUDDOMIPNSER-OWSLCNJRSA-N 1 3 335.536 2.730 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001109427042 1274264132 /nfs/dbraw/zinc/26/41/32/1274264132.db2.gz LMKUDDOMIPNSER-OWSLCNJRSA-N 1 3 335.536 2.730 20 0 EFADHO CC(C)CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485165 1274335277 /nfs/dbraw/zinc/33/52/77/1274335277.db2.gz NMQIBYVSYBCUDO-SQNIBIBYSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCCN1CCC3)C2 ZINC001109485165 1274335290 /nfs/dbraw/zinc/33/52/90/1274335290.db2.gz NMQIBYVSYBCUDO-SQNIBIBYSA-N 1 3 333.520 2.773 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)C1CCC1 ZINC001035722603 1274409594 /nfs/dbraw/zinc/40/95/94/1274409594.db2.gz WPZVASCTNKJBJU-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CCC4CCCC4)C3)CC2)CCC1 ZINC001035723049 1274410130 /nfs/dbraw/zinc/41/01/30/1274410130.db2.gz CZEJGKDRZUIOBL-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](Cc3ccccc3C)C2)CC1)N(C)C ZINC001035732190 1274420942 /nfs/dbraw/zinc/42/09/42/1274420942.db2.gz WQOHLQJTNLBUFP-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](Cc3cccc(C)c3)C2)CC1)N(C)C ZINC001035731930 1274421542 /nfs/dbraw/zinc/42/15/42/1274421542.db2.gz QZDPYVMCZGUMHZ-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](Cc3ccc(C)cc3)C2)CC1)N(C)C ZINC001035732594 1274422741 /nfs/dbraw/zinc/42/27/41/1274422741.db2.gz FETUJBLLSITUIT-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035786783 1274480701 /nfs/dbraw/zinc/48/07/01/1274480701.db2.gz DNHYNGZZBFFWQD-DAWZGUTISA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](Cc3cccc(C)c3)C2)CC1)N(C)C ZINC001035796902 1274494411 /nfs/dbraw/zinc/49/44/11/1274494411.db2.gz QZDPYVMCZGUMHZ-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035796463 1274494551 /nfs/dbraw/zinc/49/45/51/1274494551.db2.gz DRGIFKAXUIKZKB-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)C1 ZINC001035773123 1274498714 /nfs/dbraw/zinc/49/87/14/1274498714.db2.gz SAXXEVDAHVCUGW-LJQANCHMSA-N 1 3 347.547 2.999 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)C1 ZINC001035773123 1274498717 /nfs/dbraw/zinc/49/87/17/1274498717.db2.gz SAXXEVDAHVCUGW-LJQANCHMSA-N 1 3 347.547 2.999 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c(C)c1 ZINC001109654175 1274523555 /nfs/dbraw/zinc/52/35/55/1274523555.db2.gz ZXMGLLJIWBVANR-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1 ZINC001109654028 1274523744 /nfs/dbraw/zinc/52/37/44/1274523744.db2.gz RTJMHBWQKCWOQJ-SQNIBIBYSA-N 1 3 349.544 2.744 20 0 EFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccc(Cl)cc1 ZINC001109673244 1274546569 /nfs/dbraw/zinc/54/65/69/1274546569.db2.gz FWWUANOJLJOXHW-SQNIBIBYSA-N 1 3 349.906 2.556 20 0 EFADHO CCC[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035856037 1274601991 /nfs/dbraw/zinc/60/19/91/1274601991.db2.gz IMNOQDVOOWCUFH-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035856969 1274606607 /nfs/dbraw/zinc/60/66/07/1274606607.db2.gz HDUMMXSYSCORSF-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035857594 1274607130 /nfs/dbraw/zinc/60/71/30/1274607130.db2.gz XLSNDOMKURDRQX-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035858992 1274612044 /nfs/dbraw/zinc/61/20/44/1274612044.db2.gz PSKBIVBZUUZMFP-ROUUACIJSA-N 1 3 333.520 2.750 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001036052849 1274975949 /nfs/dbraw/zinc/97/59/49/1274975949.db2.gz CDWPLSDGCAYKRA-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002717 1274976118 /nfs/dbraw/zinc/97/61/18/1274976118.db2.gz QZXGHPJFLLZAQN-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001036056518 1274982108 /nfs/dbraw/zinc/98/21/08/1274982108.db2.gz VOKLHDGMGUNMJL-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001036064110 1274994250 /nfs/dbraw/zinc/99/42/50/1274994250.db2.gz LOWJYZXCSVHIDM-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036063985 1274994425 /nfs/dbraw/zinc/99/44/25/1274994425.db2.gz SJEISZIQBCZXGK-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036064169 1274994673 /nfs/dbraw/zinc/99/46/73/1274994673.db2.gz MGYBYRSEIKYGNW-YJBOKZPZSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112547288 1275113298 /nfs/dbraw/zinc/11/32/98/1275113298.db2.gz GPCIAWYUZBNLHK-HKUYNNGSSA-N 1 3 341.515 2.686 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548856 1275128966 /nfs/dbraw/zinc/12/89/66/1275128966.db2.gz VWXMMKQJUYRQTR-LGYYHMKYSA-N 1 3 335.536 2.903 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548855 1275129740 /nfs/dbraw/zinc/12/97/40/1275129740.db2.gz VWXMMKQJUYRQTR-KDCRJJDASA-N 1 3 335.536 2.903 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036182359 1275179866 /nfs/dbraw/zinc/17/98/66/1275179866.db2.gz MUFKPCDATUWVMZ-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(CC)CC)C1 ZINC001112568050 1275221423 /nfs/dbraw/zinc/22/14/23/1275221423.db2.gz VBAAVCXRLGLIMT-ICSRJNTNSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001036205684 1275224561 /nfs/dbraw/zinc/22/45/61/1275224561.db2.gz NCMQSCJHPZGIOU-GUYCJALGSA-N 1 3 346.862 2.632 20 0 EFADHO N=C(NCCCC[NH3+])Nc1ncnc2cc(Cl)c(Cl)cc21 ZINC001157099076 1275231901 /nfs/dbraw/zinc/23/19/01/1275231901.db2.gz JJNRXMYMKJRTCF-UHFFFAOYSA-N 1 3 327.219 2.612 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036190343 1275246758 /nfs/dbraw/zinc/24/67/58/1275246758.db2.gz CWYOYSYBKZOFDS-RDJZCZTQSA-N 1 3 349.544 2.807 20 0 EFADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001112585898 1275310033 /nfs/dbraw/zinc/31/00/33/1275310033.db2.gz XXNJEYYGNBAWAS-NSHGMRRFSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036302410 1275384496 /nfs/dbraw/zinc/38/44/96/1275384496.db2.gz JCAQZIUDTKVZSF-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036303949 1275386672 /nfs/dbraw/zinc/38/66/72/1275386672.db2.gz NTETZEIANLAAJD-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000786741011 1275501843 /nfs/dbraw/zinc/50/18/43/1275501843.db2.gz IQTXBTPYHWJPER-OAHLLOKOSA-N 1 3 336.455 2.630 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CC(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000786741011 1275501849 /nfs/dbraw/zinc/50/18/49/1275501849.db2.gz IQTXBTPYHWJPER-OAHLLOKOSA-N 1 3 336.455 2.630 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)CN1CCCCC1 ZINC000786796602 1275543116 /nfs/dbraw/zinc/54/31/16/1275543116.db2.gz OMFWBAPSUXKGMN-IAGOWNOFSA-N 1 3 344.503 2.989 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408798 1275551217 /nfs/dbraw/zinc/55/12/17/1275551217.db2.gz GROSVETTWFLIGY-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO COc1ccc(C[C@@H]2CCCCN2C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000844414799 1278963587 /nfs/dbraw/zinc/96/35/87/1278963587.db2.gz YHDVRXVXEQQBTD-OALUTQOASA-N 1 3 332.488 2.549 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036398829 1275584859 /nfs/dbraw/zinc/58/48/59/1275584859.db2.gz BVSBTBVEBIZZDC-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448611 1275608740 /nfs/dbraw/zinc/60/87/40/1275608740.db2.gz BYVPRSNKDFDEQV-GDBMZVCRSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036469611 1275713010 /nfs/dbraw/zinc/71/30/10/1275713010.db2.gz ASVUDSISBYPYEI-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036472967 1275718392 /nfs/dbraw/zinc/71/83/92/1275718392.db2.gz JXMCYOVSPWALQK-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(N3CCCC[C@@H]3C)n2)O1 ZINC001170278446 1278993373 /nfs/dbraw/zinc/99/33/73/1278993373.db2.gz PXJHZLXZHIPOOC-MKSNKDDYSA-N 1 3 348.491 2.597 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135975745 1276273770 /nfs/dbraw/zinc/27/37/70/1276273770.db2.gz BRLUEGSLNMTRFT-VXGBXAGGSA-N 1 3 346.928 2.511 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135975989 1276273824 /nfs/dbraw/zinc/27/38/24/1276273824.db2.gz FWPVKTPIXVEAID-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135975993 1276274310 /nfs/dbraw/zinc/27/43/10/1276274310.db2.gz FWPVKTPIXVEAID-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135977534 1276275208 /nfs/dbraw/zinc/27/52/08/1276275208.db2.gz VBUOWNBEEBKYQE-IAGOWNOFSA-N 1 3 345.531 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135977733 1276276260 /nfs/dbraw/zinc/27/62/60/1276276260.db2.gz YIFVVEPAEMKOJY-DLBZAZTESA-N 1 3 349.519 2.548 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135977645 1276276339 /nfs/dbraw/zinc/27/63/39/1276276339.db2.gz WXHZYKYFCNLAAX-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135995404 1276285627 /nfs/dbraw/zinc/28/56/27/1276285627.db2.gz DYESJSGQDLRFKS-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135995404 1276285631 /nfs/dbraw/zinc/28/56/31/1276285631.db2.gz DYESJSGQDLRFKS-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135995405 1276285819 /nfs/dbraw/zinc/28/58/19/1276285819.db2.gz DYESJSGQDLRFKS-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135995405 1276285823 /nfs/dbraw/zinc/28/58/23/1276285823.db2.gz DYESJSGQDLRFKS-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001136032370 1276341097 /nfs/dbraw/zinc/34/10/97/1276341097.db2.gz ZXRWEHAVYSLGBR-KBPBESRZSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001136032219 1276341301 /nfs/dbraw/zinc/34/13/01/1276341301.db2.gz XQPITSKFEKUNEG-NWDGAFQWSA-N 1 3 348.413 2.866 20 0 EFADHO Cc1nccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000817888097 1276347961 /nfs/dbraw/zinc/34/79/61/1276347961.db2.gz ANIRSJKEOICPKA-BEFAXECRSA-N 1 3 335.455 2.624 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112963948 1276347932 /nfs/dbraw/zinc/34/79/32/1276347932.db2.gz GEDOENHFXLHTIU-RBUKOAKNSA-N 1 3 337.552 2.791 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963948 1276347936 /nfs/dbraw/zinc/34/79/36/1276347936.db2.gz GEDOENHFXLHTIU-RBUKOAKNSA-N 1 3 337.552 2.791 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)ccc12 ZINC000817880079 1276359342 /nfs/dbraw/zinc/35/93/42/1276359342.db2.gz LMUAECZGDYQEKC-IMJJTQAJSA-N 1 3 344.455 2.785 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897749 1276365466 /nfs/dbraw/zinc/36/54/66/1276365466.db2.gz WSHSJIJCCDTTGL-MJUUVYJYSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@]1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCCNC1 ZINC000817966163 1276410278 /nfs/dbraw/zinc/41/02/78/1276410278.db2.gz HRJYRMBAFQGDFK-HXUWFJFHSA-N 1 3 345.487 2.767 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCCN1 ZINC000817896983 1276366815 /nfs/dbraw/zinc/36/68/15/1276366815.db2.gz AVRUGPPCGSWQHK-UZLBHIALSA-N 1 3 330.520 2.842 20 0 EFADHO C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817896983 1276366816 /nfs/dbraw/zinc/36/68/16/1276366816.db2.gz AVRUGPPCGSWQHK-UZLBHIALSA-N 1 3 330.520 2.842 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901521 1276367001 /nfs/dbraw/zinc/36/70/01/1276367001.db2.gz WYAJVBKABWLLFR-ILXRZTDVSA-N 1 3 332.366 2.868 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901255 1276367128 /nfs/dbraw/zinc/36/71/28/1276367128.db2.gz UNJUJVLAUIYCIJ-BYCMXARLSA-N 1 3 332.366 2.596 20 0 EFADHO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000817949479 1276394265 /nfs/dbraw/zinc/39/42/65/1276394265.db2.gz RMSBRCCSBUTQAU-OAHLLOKOSA-N 1 3 325.456 2.740 20 0 EFADHO N[C@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931402 1276406094 /nfs/dbraw/zinc/40/60/94/1276406094.db2.gz SAKOQUQGPULONX-ZNMIVQPWSA-N 1 3 327.266 2.732 20 0 EFADHO CC[C@@H](NCCC[NH2+]C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984439 1276422986 /nfs/dbraw/zinc/42/29/86/1276422986.db2.gz SUEGLFOBQIQUJC-HZPDHXFCSA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086819924 1276501977 /nfs/dbraw/zinc/50/19/77/1276501977.db2.gz HHFYFNUTPWDTLI-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO N[C@H](CCC[NH3+])Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC001170899444 1276505550 /nfs/dbraw/zinc/50/55/50/1276505550.db2.gz CDHYBCQQYDCDMN-SFHVURJKSA-N 1 3 326.444 2.694 20 0 EFADHO N[C@@H](CCC[NH3+])Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001170900565 1276507126 /nfs/dbraw/zinc/50/71/26/1276507126.db2.gz WIOAITAWKUKYIG-CYBMUJFWSA-N 1 3 341.337 2.723 20 0 EFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNCCS(C)(=O)=O)cc1 ZINC000818947476 1276555607 /nfs/dbraw/zinc/55/56/07/1276555607.db2.gz FEYIUMPMADDMDU-UHFFFAOYSA-N 1 3 346.496 2.549 20 0 EFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000819061307 1276580875 /nfs/dbraw/zinc/58/08/75/1276580875.db2.gz KQEKRTAJFKOLMX-QZTJIDSGSA-N 1 3 338.879 2.606 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000819105790 1276611743 /nfs/dbraw/zinc/61/17/43/1276611743.db2.gz PDIDSTOALOFHGL-BYCMXARLSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000819105790 1276611752 /nfs/dbraw/zinc/61/17/52/1276611752.db2.gz PDIDSTOALOFHGL-BYCMXARLSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)c2cccc3ccccc32)CCCO1 ZINC000819264918 1276717851 /nfs/dbraw/zinc/71/78/51/1276717851.db2.gz IKPVIGAMPPWXCR-UTKZUKDTSA-N 1 3 342.483 2.964 20 0 EFADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)c2cccc3ccccc32)CCCO1 ZINC000819264918 1276717857 /nfs/dbraw/zinc/71/78/57/1276717857.db2.gz IKPVIGAMPPWXCR-UTKZUKDTSA-N 1 3 342.483 2.964 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@@]1(C)CC1(Cl)Cl ZINC000819346375 1276737274 /nfs/dbraw/zinc/73/72/74/1276737274.db2.gz FPYTYKJQVHKJJQ-HUUCEWRRSA-N 1 3 331.287 2.653 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@@]1(C)CC1(Cl)Cl ZINC000819346375 1276737282 /nfs/dbraw/zinc/73/72/82/1276737282.db2.gz FPYTYKJQVHKJJQ-HUUCEWRRSA-N 1 3 331.287 2.653 20 0 EFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000923174448 1277144847 /nfs/dbraw/zinc/14/48/47/1277144847.db2.gz ZEBVMSCUZRLGBB-KOHRHEQBSA-N 1 3 336.524 2.565 20 0 EFADHO CC1CC[NH+](CCCNCCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000790126433 1277294074 /nfs/dbraw/zinc/29/40/74/1277294074.db2.gz ZSDOXLJGRUXKIX-UHFFFAOYSA-N 1 3 346.519 2.793 20 0 EFADHO C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000820813830 1277319340 /nfs/dbraw/zinc/31/93/40/1277319340.db2.gz CIEFQSDSZRRWNW-DOMZBBRYSA-N 1 3 343.393 2.562 20 0 EFADHO C[NH2+]C[C@H]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000923290442 1277506705 /nfs/dbraw/zinc/50/67/05/1277506705.db2.gz NLAMNHHIGCFCKF-SJORKVTESA-N 1 3 337.467 2.697 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000923299801 1277510130 /nfs/dbraw/zinc/51/01/30/1277510130.db2.gz WZCOULGLZNVTJU-SLFFLAALSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000923299801 1277510136 /nfs/dbraw/zinc/51/01/36/1277510136.db2.gz WZCOULGLZNVTJU-SLFFLAALSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086591037 1277751621 /nfs/dbraw/zinc/75/16/21/1277751621.db2.gz PXUSBQYTUSIHJP-ZCNNSNEGSA-N 1 3 343.515 2.853 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086591037 1277751628 /nfs/dbraw/zinc/75/16/28/1277751628.db2.gz PXUSBQYTUSIHJP-ZCNNSNEGSA-N 1 3 343.515 2.853 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001178990103 1289014217 /nfs/dbraw/zinc/01/42/17/1289014217.db2.gz HILIQNVUYASGMR-ZYSHUDEJSA-N 1 3 349.494 2.678 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]1C)N(C)C ZINC001178989942 1289014278 /nfs/dbraw/zinc/01/42/78/1289014278.db2.gz ARLKSATWYYAHHL-YSIASYRMSA-N 1 3 345.531 2.929 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001175106139 1287312045 /nfs/dbraw/zinc/31/20/45/1287312045.db2.gz FKURHILGZIKUPU-IEBWSBKVSA-N 1 3 348.535 2.741 20 0 EFADHO CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597556 1278045311 /nfs/dbraw/zinc/04/53/11/1278045311.db2.gz LRVWDIAHBRKONM-RBUKOAKNSA-N 1 3 341.499 2.609 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001091027155 1279353854 /nfs/dbraw/zinc/35/38/54/1279353854.db2.gz ZBNWTVVNRNTFGG-HTWSVDAQSA-N 1 3 349.544 2.648 20 0 EFADHO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccnc3OC3CNC3)c2c1 ZINC001171166180 1279468049 /nfs/dbraw/zinc/46/80/49/1279468049.db2.gz AMWCBOBZKNGNPX-AWEZNQCLSA-N 1 3 336.439 2.574 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255445 1287380778 /nfs/dbraw/zinc/38/07/78/1287380778.db2.gz FVHZMIOFFAOBLM-MSOLQXFVSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175255447 1287380798 /nfs/dbraw/zinc/38/07/98/1287380798.db2.gz FVHZMIOFFAOBLM-ROUUACIJSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175257170 1287383221 /nfs/dbraw/zinc/38/32/21/1287383221.db2.gz VYWQMQRIOFOKDP-SJORKVTESA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263693 1287385806 /nfs/dbraw/zinc/38/58/06/1287385806.db2.gz QOCOWZDSHIMOHS-DLBZAZTESA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271797 1287387096 /nfs/dbraw/zinc/38/70/96/1287387096.db2.gz DMUYCPYHFSWYAX-HOTGVXAUSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@@](NCCCCCC[NH3+])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000846223470 1280076098 /nfs/dbraw/zinc/07/60/98/1280076098.db2.gz LHRRCUPEXHLXEF-HNNXBMFYSA-N 1 3 331.382 2.515 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001175315367 1287398605 /nfs/dbraw/zinc/39/86/05/1287398605.db2.gz FJDWOOAGRPBKQK-QAPCUYQASA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001175314722 1287398677 /nfs/dbraw/zinc/39/86/77/1287398677.db2.gz AMGQJUBQYGFXKD-CJNGLKHVSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001175316218 1287399407 /nfs/dbraw/zinc/39/94/07/1287399407.db2.gz JDCQWOKUJWHUKB-ZFWWWQNUSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001129422065 1280184107 /nfs/dbraw/zinc/18/41/07/1280184107.db2.gz DSWWEJMRFKMPJH-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001129422065 1280184114 /nfs/dbraw/zinc/18/41/14/1280184114.db2.gz DSWWEJMRFKMPJH-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(CNCCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1F ZINC001129422386 1280184150 /nfs/dbraw/zinc/18/41/50/1280184150.db2.gz IEKGPSAAWRFVAS-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(CNCCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1F ZINC001129422386 1280184156 /nfs/dbraw/zinc/18/41/56/1280184156.db2.gz IEKGPSAAWRFVAS-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)c(Cl)c1 ZINC001129454221 1280195281 /nfs/dbraw/zinc/19/52/81/1280195281.db2.gz HPMADNWKNDEOCI-BDJLRTHQSA-N 1 3 341.858 2.586 20 0 EFADHO CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001129436335 1280200137 /nfs/dbraw/zinc/20/01/37/1280200137.db2.gz OTMDOIWBVZNCDU-HNAYVOBHSA-N 1 3 331.504 2.917 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1)C1CCC1 ZINC001129535262 1280251361 /nfs/dbraw/zinc/25/13/61/1280251361.db2.gz MWUTVKHODLHHJN-UHFFFAOYSA-N 1 3 325.456 2.530 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234955 1280308977 /nfs/dbraw/zinc/30/89/77/1280308977.db2.gz AGRNMPHQVHGLPX-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091318970 1280317351 /nfs/dbraw/zinc/31/73/51/1280317351.db2.gz WZDPEJXCFAFRBD-ACBHZAAOSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001171238908 1280343411 /nfs/dbraw/zinc/34/34/11/1280343411.db2.gz ZLDLEBOGXLEGFR-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856284 1280354356 /nfs/dbraw/zinc/35/43/56/1280354356.db2.gz OYPGTHSZRCOACE-SFHVURJKSA-N 1 3 346.519 2.594 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856284 1280354362 /nfs/dbraw/zinc/35/43/62/1280354362.db2.gz OYPGTHSZRCOACE-SFHVURJKSA-N 1 3 346.519 2.594 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001129947079 1280381382 /nfs/dbraw/zinc/38/13/82/1280381382.db2.gz JCYNHTDQWQUQKU-SFHVURJKSA-N 1 3 333.520 2.776 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCc1ccccc1Cl)N(C)C ZINC001129947328 1280381693 /nfs/dbraw/zinc/38/16/93/1280381693.db2.gz VFCIEHWPGQHERK-KRWDZBQOSA-N 1 3 339.911 2.565 20 0 EFADHO C[C@@H](NC1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846697527 1280427067 /nfs/dbraw/zinc/42/70/67/1280427067.db2.gz SBHBJDXMQILOJD-CQSZACIVSA-N 1 3 333.501 2.954 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246931 1280432960 /nfs/dbraw/zinc/43/29/60/1280432960.db2.gz IMSHSJFJJFLSDX-RDJZCZTQSA-N 1 3 329.504 2.731 20 0 EFADHO CC1([NH3+])CCN(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171250615 1280455427 /nfs/dbraw/zinc/45/54/27/1280455427.db2.gz VZWUPZKDCMKLGU-JWTNVVGKSA-N 1 3 327.472 2.635 20 0 EFADHO COc1cccc(C[C@@H](N)C(=O)NCC[PH+](C(C)C)C(C)C)c1 ZINC001144942762 1280499783 /nfs/dbraw/zinc/49/97/83/1280499783.db2.gz APUBEBYPNCXAHM-QGZVFWFLSA-N 1 3 338.432 2.980 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001130203701 1280572842 /nfs/dbraw/zinc/57/28/42/1280572842.db2.gz UFGYVRBAXIIJHC-CQSZACIVSA-N 1 3 332.275 2.539 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC2(Br)CC2)[C@@H](C)C1 ZINC000846857397 1280578983 /nfs/dbraw/zinc/57/89/83/1280578983.db2.gz IWLURUVUUMJKEI-KBPBESRZSA-N 1 3 333.314 2.641 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC2(Br)CC2)[C@@H](C)C1 ZINC000846857397 1280578986 /nfs/dbraw/zinc/57/89/86/1280578986.db2.gz IWLURUVUUMJKEI-KBPBESRZSA-N 1 3 333.314 2.641 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2ccsc2)cc1)N(C)C ZINC001130202965 1280586006 /nfs/dbraw/zinc/58/60/06/1280586006.db2.gz CHYXDZRLWDHMKN-GOSISDBHSA-N 1 3 345.512 2.961 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001130427606 1280863464 /nfs/dbraw/zinc/86/34/64/1280863464.db2.gz OCKAGYPDEOHPBZ-UHFFFAOYSA-N 1 3 349.519 2.755 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001130427606 1280863469 /nfs/dbraw/zinc/86/34/69/1280863469.db2.gz OCKAGYPDEOHPBZ-UHFFFAOYSA-N 1 3 349.519 2.755 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2cc3ccccc3o2)CC1 ZINC001146356095 1280912808 /nfs/dbraw/zinc/91/28/08/1280912808.db2.gz JVLGAAPZVPNKAM-UHFFFAOYSA-N 1 3 343.471 2.759 20 0 EFADHO CCOCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583713 1280940293 /nfs/dbraw/zinc/94/02/93/1280940293.db2.gz OGPMVJYKRDCVJA-IAGOWNOFSA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001146592327 1280946014 /nfs/dbraw/zinc/94/60/14/1280946014.db2.gz JPCMREBIZBHQDJ-KBPBESRZSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001146595086 1280948062 /nfs/dbraw/zinc/94/80/62/1280948062.db2.gz WVKKKQKPFANLRW-RYUDHWBXSA-N 1 3 346.928 2.510 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1C ZINC001146600372 1280949808 /nfs/dbraw/zinc/94/98/08/1280949808.db2.gz GMXBYUXHRWQMFA-HOTGVXAUSA-N 1 3 349.519 2.717 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147725004 1281248950 /nfs/dbraw/zinc/24/89/50/1281248950.db2.gz PYERCEUCRMWCLT-SREVYHEPSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147725004 1281248958 /nfs/dbraw/zinc/24/89/58/1281248958.db2.gz PYERCEUCRMWCLT-SREVYHEPSA-N 1 3 333.520 2.751 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2 ZINC001147809835 1281273190 /nfs/dbraw/zinc/27/31/90/1281273190.db2.gz IVKYUPRMQNESIP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001147809835 1281273197 /nfs/dbraw/zinc/27/31/97/1281273197.db2.gz IVKYUPRMQNESIP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001147826232 1281304543 /nfs/dbraw/zinc/30/45/43/1281304543.db2.gz SQEVZLUPOWKJJG-SJORKVTESA-N 1 3 343.471 2.759 20 0 EFADHO COCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571417 1287488314 /nfs/dbraw/zinc/48/83/14/1287488314.db2.gz ACCIPEGVDLCBHB-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO Nc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528186 1281354213 /nfs/dbraw/zinc/35/42/13/1281354213.db2.gz KBRPVUWGAXKJJI-UHFFFAOYSA-N 1 3 335.455 2.573 20 0 EFADHO Cc1ccc(F)cc1CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148167522 1281441099 /nfs/dbraw/zinc/44/10/99/1281441099.db2.gz GXFKLHQGASJKFN-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174597 1281441702 /nfs/dbraw/zinc/44/17/02/1281441702.db2.gz QVVLRKMNSSYRCU-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174598 1281442273 /nfs/dbraw/zinc/44/22/73/1281442273.db2.gz QVVLRKMNSSYRCU-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285386 1281495482 /nfs/dbraw/zinc/49/54/82/1281495482.db2.gz QPELYPPAVLSKHL-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285386 1281495486 /nfs/dbraw/zinc/49/54/86/1281495486.db2.gz QPELYPPAVLSKHL-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)CCCC[NH+](C)C ZINC001148365170 1281532662 /nfs/dbraw/zinc/53/26/62/1281532662.db2.gz KFDRPQHCPRZEDJ-UHFFFAOYSA-N 1 3 349.519 2.756 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001148458070 1281557138 /nfs/dbraw/zinc/55/71/38/1281557138.db2.gz HNXPCWNSJXDCIZ-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001148458070 1281557145 /nfs/dbraw/zinc/55/71/45/1281557145.db2.gz HNXPCWNSJXDCIZ-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@@H](C)F)C2 ZINC001148458083 1281557506 /nfs/dbraw/zinc/55/75/06/1281557506.db2.gz IBHOIRPJFLXJPW-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@@H](C)F)C2 ZINC001148458083 1281557514 /nfs/dbraw/zinc/55/75/14/1281557514.db2.gz IBHOIRPJFLXJPW-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148458718 1281559239 /nfs/dbraw/zinc/55/92/39/1281559239.db2.gz VCOUSXIMPQLQLV-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148458718 1281559247 /nfs/dbraw/zinc/55/92/47/1281559247.db2.gz VCOUSXIMPQLQLV-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1c(C)cccc1C)C2 ZINC001148462753 1281563103 /nfs/dbraw/zinc/56/31/03/1281563103.db2.gz PCHSBLRCPDDMBO-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1c(C)cccc1C)C2 ZINC001148462753 1281563115 /nfs/dbraw/zinc/56/31/15/1281563115.db2.gz PCHSBLRCPDDMBO-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CC4CCCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735548 1281649823 /nfs/dbraw/zinc/64/98/23/1281649823.db2.gz UVGNVMNKYVODHN-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735548 1281649833 /nfs/dbraw/zinc/64/98/33/1281649833.db2.gz UVGNVMNKYVODHN-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]CCCc1cccc2ccccc21 ZINC001148643194 1281669584 /nfs/dbraw/zinc/66/95/84/1281669584.db2.gz ULOSQHSXHJKPLW-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(CC)c1)C2 ZINC001148646570 1281670615 /nfs/dbraw/zinc/67/06/15/1281670615.db2.gz BZYJXWDJMRZHMU-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(CC)c1)C2 ZINC001148646570 1281670623 /nfs/dbraw/zinc/67/06/23/1281670623.db2.gz BZYJXWDJMRZHMU-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC001148643234 1281670921 /nfs/dbraw/zinc/67/09/21/1281670921.db2.gz VTWMCJKIPBOYSU-INIZCTEOSA-N 1 3 325.884 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001148652154 1281674291 /nfs/dbraw/zinc/67/42/91/1281674291.db2.gz XLZMZHXOEMFBEF-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC3(CC3)CC1)C2 ZINC001148652154 1281674306 /nfs/dbraw/zinc/67/43/06/1281674306.db2.gz XLZMZHXOEMFBEF-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001148651407 1281674619 /nfs/dbraw/zinc/67/46/19/1281674619.db2.gz FUPZGCSXWCVZBO-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001148651407 1281674629 /nfs/dbraw/zinc/67/46/29/1281674629.db2.gz FUPZGCSXWCVZBO-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)sc1C)C2 ZINC001148651562 1281675522 /nfs/dbraw/zinc/67/55/22/1281675522.db2.gz JGEOZXVUUMUDPX-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)sc1C)C2 ZINC001148651562 1281675532 /nfs/dbraw/zinc/67/55/32/1281675532.db2.gz JGEOZXVUUMUDPX-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738271 1281686398 /nfs/dbraw/zinc/68/63/98/1281686398.db2.gz SOBYQPNNQSDNJU-SBHAEUEKSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738271 1281686403 /nfs/dbraw/zinc/68/64/03/1281686403.db2.gz SOBYQPNNQSDNJU-SBHAEUEKSA-N 1 3 345.531 2.607 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148838646 1281778961 /nfs/dbraw/zinc/77/89/61/1281778961.db2.gz DFRYORHAOFKGFV-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148838646 1281778968 /nfs/dbraw/zinc/77/89/68/1281778968.db2.gz DFRYORHAOFKGFV-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839527 1281780821 /nfs/dbraw/zinc/78/08/21/1281780821.db2.gz QEHWULXFZVCOEH-GOSISDBHSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839527 1281780829 /nfs/dbraw/zinc/78/08/29/1281780829.db2.gz QEHWULXFZVCOEH-GOSISDBHSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758817 1281794423 /nfs/dbraw/zinc/79/44/23/1281794423.db2.gz LUPSEYMGVQTUQO-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758817 1281794430 /nfs/dbraw/zinc/79/44/30/1281794430.db2.gz LUPSEYMGVQTUQO-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C)CCCCC1 ZINC001273451060 1281858255 /nfs/dbraw/zinc/85/82/55/1281858255.db2.gz UALRDQMFCFQRLR-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(C)CCCCC1 ZINC001273451060 1281858258 /nfs/dbraw/zinc/85/82/58/1281858258.db2.gz UALRDQMFCFQRLR-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)OC ZINC001175740130 1287534806 /nfs/dbraw/zinc/53/48/06/1287534806.db2.gz RWPYCROLAUCLCQ-ZWKOTPCHSA-N 1 3 343.556 2.798 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907847 1281907724 /nfs/dbraw/zinc/90/77/24/1281907724.db2.gz DRFANVQIFDHZQO-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086908307 1281909236 /nfs/dbraw/zinc/90/92/36/1281909236.db2.gz WNXDUVVISHAJEQ-MSOLQXFVSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942257 1281972674 /nfs/dbraw/zinc/97/26/74/1281972674.db2.gz MMYKOWXGWYHHGT-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C[C@@H]2C)CC[NH+](CC2CCC2)CC3)C1 ZINC001086942700 1281974264 /nfs/dbraw/zinc/97/42/64/1281974264.db2.gz YNEMVQZOCUIHJC-ROUUACIJSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001086942990 1281974276 /nfs/dbraw/zinc/97/42/76/1281974276.db2.gz HGZXZHWXYXLPBD-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001086942997 1281974381 /nfs/dbraw/zinc/97/43/81/1281974381.db2.gz HMFQMZKQYQMPFC-MSOLQXFVSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCCC3)C2)CC1 ZINC001086957553 1282030520 /nfs/dbraw/zinc/03/05/20/1282030520.db2.gz QQXDTQFIARCAKO-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001175766714 1287546313 /nfs/dbraw/zinc/54/63/13/1287546313.db2.gz AARXSIQJJHDETK-LFGHMXSPSA-N 1 3 338.323 2.912 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)nc1C ZINC001175766966 1287546510 /nfs/dbraw/zinc/54/65/10/1287546510.db2.gz CPSODAZOAYSNAN-INIZCTEOSA-N 1 3 348.535 2.805 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1scnc1C ZINC001175767370 1287546951 /nfs/dbraw/zinc/54/69/51/1287546951.db2.gz FRPANABLCZPHER-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001171366852 1282107597 /nfs/dbraw/zinc/10/75/97/1282107597.db2.gz FKURHILGZIKUPU-MJGOQNOKSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1 ZINC001175786190 1287551492 /nfs/dbraw/zinc/55/14/92/1287551492.db2.gz IFMKQEPYIOTARO-INIZCTEOSA-N 1 3 339.549 2.897 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001175785805 1287552139 /nfs/dbraw/zinc/55/21/39/1287552139.db2.gz DMFWTRHCDKAMKR-OAHLLOKOSA-N 1 3 325.522 2.855 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091782812 1282150190 /nfs/dbraw/zinc/15/01/90/1282150190.db2.gz HJGYLUOBXXJLGH-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091782812 1282150196 /nfs/dbraw/zinc/15/01/96/1282150196.db2.gz HJGYLUOBXXJLGH-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001092010391 1282334044 /nfs/dbraw/zinc/33/40/44/1282334044.db2.gz CZUDKCUFXLZQJL-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001092010391 1282334045 /nfs/dbraw/zinc/33/40/45/1282334045.db2.gz CZUDKCUFXLZQJL-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001092011183 1282335685 /nfs/dbraw/zinc/33/56/85/1282335685.db2.gz RXUYMPAKNPZRFW-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001092011183 1282335693 /nfs/dbraw/zinc/33/56/93/1282335693.db2.gz RXUYMPAKNPZRFW-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010779 1282336488 /nfs/dbraw/zinc/33/64/88/1282336488.db2.gz LFPWJABBPQQTRW-HQRMLTQVSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010779 1282336499 /nfs/dbraw/zinc/33/64/99/1282336499.db2.gz LFPWJABBPQQTRW-HQRMLTQVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1 ZINC001092010791 1282336879 /nfs/dbraw/zinc/33/68/79/1282336879.db2.gz LJYFTHMPXAHXLC-BLIXFSHQSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1 ZINC001092010791 1282336889 /nfs/dbraw/zinc/33/68/89/1282336889.db2.gz LJYFTHMPXAHXLC-BLIXFSHQSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092022322 1282341617 /nfs/dbraw/zinc/34/16/17/1282341617.db2.gz SJAJZAXFUBBIBF-DYXWJJEUSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092022322 1282341625 /nfs/dbraw/zinc/34/16/25/1282341625.db2.gz SJAJZAXFUBBIBF-DYXWJJEUSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021749 1282342139 /nfs/dbraw/zinc/34/21/39/1282342139.db2.gz HJGYLUOBXXJLGH-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021749 1282342146 /nfs/dbraw/zinc/34/21/46/1282342146.db2.gz HJGYLUOBXXJLGH-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(CNCCNC(=O)C2(C[NH+](C)C)CCCCC2)cc1F ZINC001131799847 1282352196 /nfs/dbraw/zinc/35/21/96/1282352196.db2.gz XUIWTWGIJXBSKK-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO C[N@H+](CCC(=O)NCCNCc1ccc(F)cc1)C1CCCCC1 ZINC001131815593 1282397564 /nfs/dbraw/zinc/39/75/64/1282397564.db2.gz LBCQTKOCHHHYLI-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO C[N@@H+](CCC(=O)NCCNCc1ccc(F)cc1)C1CCCCC1 ZINC001131815593 1282397574 /nfs/dbraw/zinc/39/75/74/1282397574.db2.gz LBCQTKOCHHHYLI-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO C[NH+](C)C1(CC(=O)NCCNCc2ccc(Cl)s2)CCCC1 ZINC001131834900 1282425246 /nfs/dbraw/zinc/42/52/46/1282425246.db2.gz JPRUZWPPVMDCPQ-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298079 1282545751 /nfs/dbraw/zinc/54/57/51/1282545751.db2.gz MEKFQZFOIXOCBL-QUCCMNQESA-N 1 3 329.488 2.552 20 0 EFADHO CCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298079 1282545761 /nfs/dbraw/zinc/54/57/61/1282545761.db2.gz MEKFQZFOIXOCBL-QUCCMNQESA-N 1 3 329.488 2.552 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092658371 1282913054 /nfs/dbraw/zinc/91/30/54/1282913054.db2.gz RJNCFLLVKWYTIZ-QRQLOZEOSA-N 1 3 349.563 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092658371 1282913063 /nfs/dbraw/zinc/91/30/63/1282913063.db2.gz RJNCFLLVKWYTIZ-QRQLOZEOSA-N 1 3 349.563 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001092658132 1282913257 /nfs/dbraw/zinc/91/32/57/1282913257.db2.gz IJYSKJCBWGFJFL-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001092658132 1282913277 /nfs/dbraw/zinc/91/32/77/1282913277.db2.gz IJYSKJCBWGFJFL-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093274 1287606850 /nfs/dbraw/zinc/60/68/50/1287606850.db2.gz KNEFTCMXVBVEPD-AEFFLSMTSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093274 1287606861 /nfs/dbraw/zinc/60/68/61/1287606861.db2.gz KNEFTCMXVBVEPD-AEFFLSMTSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093276 1287607391 /nfs/dbraw/zinc/60/73/91/1287607391.db2.gz KNEFTCMXVBVEPD-FUHWJXTLSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093276 1287607405 /nfs/dbraw/zinc/60/74/05/1287607405.db2.gz KNEFTCMXVBVEPD-FUHWJXTLSA-N 1 3 341.455 2.656 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCOC)C1 ZINC001132152961 1283051594 /nfs/dbraw/zinc/05/15/94/1283051594.db2.gz LNSKKTSWGKVTSJ-IAGOWNOFSA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCCOC)C1 ZINC001132152961 1283051599 /nfs/dbraw/zinc/05/15/99/1283051599.db2.gz LNSKKTSWGKVTSJ-IAGOWNOFSA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC001132153332 1283053535 /nfs/dbraw/zinc/05/35/35/1283053535.db2.gz QECNLYPKWZMNNH-ZFWWWQNUSA-N 1 3 345.478 2.731 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC2CC(F)(F)C2)C1 ZINC001132153332 1283053541 /nfs/dbraw/zinc/05/35/41/1283053541.db2.gz QECNLYPKWZMNNH-ZFWWWQNUSA-N 1 3 345.478 2.731 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)C1 ZINC001092906925 1283111824 /nfs/dbraw/zinc/11/18/24/1283111824.db2.gz MIMICGXMJOJBRF-GULVGFPWSA-N 1 3 341.927 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)C1 ZINC001092906925 1283111826 /nfs/dbraw/zinc/11/18/26/1283111826.db2.gz MIMICGXMJOJBRF-GULVGFPWSA-N 1 3 341.927 2.545 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccc(Cl)s1)C(C)C ZINC001135474688 1288023936 /nfs/dbraw/zinc/02/39/36/1288023936.db2.gz XJAJDYOMIDFQED-OAHLLOKOSA-N 1 3 345.940 2.974 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C)c1 ZINC001132265011 1283218070 /nfs/dbraw/zinc/21/80/70/1283218070.db2.gz GUMDBWOIRSTHKI-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCF)C1)N1CCCCC1 ZINC001036717504 1283222607 /nfs/dbraw/zinc/22/26/07/1283222607.db2.gz WQVADRSPKBBQNA-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCF)C1)N1CCCCC1 ZINC001036717504 1283222612 /nfs/dbraw/zinc/22/26/12/1283222612.db2.gz WQVADRSPKBBQNA-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1CCc1ccccc1F ZINC001132270480 1283226555 /nfs/dbraw/zinc/22/65/55/1283226555.db2.gz SWPGFBNMIRVJNT-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1CCc1ccccc1F ZINC001132270481 1283226969 /nfs/dbraw/zinc/22/69/69/1283226969.db2.gz SWPGFBNMIRVJNT-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132274559 1283244812 /nfs/dbraw/zinc/24/48/12/1283244812.db2.gz WODDNEBDYIILJO-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132278919 1283250948 /nfs/dbraw/zinc/25/09/48/1283250948.db2.gz STFRVPULCBZJES-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1C ZINC001132278924 1283251214 /nfs/dbraw/zinc/25/12/14/1283251214.db2.gz STFRVPULCBZJES-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735433 1283308864 /nfs/dbraw/zinc/30/88/64/1283308864.db2.gz JNXCLHRGMZRJOI-ROUUACIJSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735433 1283308875 /nfs/dbraw/zinc/30/88/75/1283308875.db2.gz JNXCLHRGMZRJOI-ROUUACIJSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735355 1283311141 /nfs/dbraw/zinc/31/11/41/1283311141.db2.gz IKLVCRXNWSNJSH-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735355 1283311153 /nfs/dbraw/zinc/31/11/53/1283311153.db2.gz IKLVCRXNWSNJSH-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)CCC1 ZINC001036735605 1283311661 /nfs/dbraw/zinc/31/16/61/1283311661.db2.gz NCVRGWQUXMGMRW-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)CCC1 ZINC001036735605 1283311669 /nfs/dbraw/zinc/31/16/69/1283311669.db2.gz NCVRGWQUXMGMRW-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735947 1283312117 /nfs/dbraw/zinc/31/21/17/1283312117.db2.gz SJCMWVCPTPBGKT-DLBZAZTESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735947 1283312129 /nfs/dbraw/zinc/31/21/29/1283312129.db2.gz SJCMWVCPTPBGKT-DLBZAZTESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735513 1283313696 /nfs/dbraw/zinc/31/36/96/1283313696.db2.gz LFXWQTOHQJLOJJ-IRXDYDNUSA-N 1 3 347.528 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735513 1283313708 /nfs/dbraw/zinc/31/37/08/1283313708.db2.gz LFXWQTOHQJLOJJ-IRXDYDNUSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736474 1283315959 /nfs/dbraw/zinc/31/59/59/1283315959.db2.gz AFSUQVFFOSPGKB-UYAOXDASSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736474 1283315971 /nfs/dbraw/zinc/31/59/71/1283315971.db2.gz AFSUQVFFOSPGKB-UYAOXDASSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736897 1283318110 /nfs/dbraw/zinc/31/81/10/1283318110.db2.gz IOXXWOKELLCAFZ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736897 1283318116 /nfs/dbraw/zinc/31/81/16/1283318116.db2.gz IOXXWOKELLCAFZ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](F)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224947 1283513242 /nfs/dbraw/zinc/51/32/42/1283513242.db2.gz HFTGMACWSOBLAT-NXHRZFHOSA-N 1 3 349.494 2.794 20 0 EFADHO CC[C@H](F)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224947 1283513252 /nfs/dbraw/zinc/51/32/52/1283513252.db2.gz HFTGMACWSOBLAT-NXHRZFHOSA-N 1 3 349.494 2.794 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410777 1283531828 /nfs/dbraw/zinc/53/18/28/1283531828.db2.gz OADDVQBPPJHLPU-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410777 1283531840 /nfs/dbraw/zinc/53/18/40/1283531840.db2.gz OADDVQBPPJHLPU-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ncc(C)s1 ZINC001176022955 1287659193 /nfs/dbraw/zinc/65/91/93/1287659193.db2.gz DQIJUDCAOHQEAN-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1ncc(C)s1 ZINC001176022955 1287659201 /nfs/dbraw/zinc/65/92/01/1287659201.db2.gz DQIJUDCAOHQEAN-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNC/C(Cl)=C\Cl ZINC001176024851 1287660628 /nfs/dbraw/zinc/66/06/28/1287660628.db2.gz SPQCAZLXLZWACR-MBFWDRTGSA-N 1 3 338.323 2.912 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNC/C(Cl)=C\Cl ZINC001176024851 1287660639 /nfs/dbraw/zinc/66/06/39/1287660639.db2.gz SPQCAZLXLZWACR-MBFWDRTGSA-N 1 3 338.323 2.912 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361042 1283780769 /nfs/dbraw/zinc/78/07/69/1283780769.db2.gz HFNVGXHYNNZHCX-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093361042 1283780777 /nfs/dbraw/zinc/78/07/77/1283780777.db2.gz HFNVGXHYNNZHCX-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361477 1283783774 /nfs/dbraw/zinc/78/37/74/1283783774.db2.gz KVCAWWQSVHNPHK-MOPGFXCFSA-N 1 3 345.531 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361477 1283783780 /nfs/dbraw/zinc/78/37/80/1283783780.db2.gz KVCAWWQSVHNPHK-MOPGFXCFSA-N 1 3 345.531 2.584 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093363369 1283786451 /nfs/dbraw/zinc/78/64/51/1283786451.db2.gz ZLLDTOFUNMKOJC-ROUUACIJSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093363369 1283786460 /nfs/dbraw/zinc/78/64/60/1283786460.db2.gz ZLLDTOFUNMKOJC-ROUUACIJSA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371458 1283806148 /nfs/dbraw/zinc/80/61/48/1283806148.db2.gz RBTFCDCTKISFHB-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371458 1283806156 /nfs/dbraw/zinc/80/61/56/1283806156.db2.gz RBTFCDCTKISFHB-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093372185 1283811385 /nfs/dbraw/zinc/81/13/85/1283811385.db2.gz YUIIXALMSRSZCF-OALUTQOASA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093372185 1283811395 /nfs/dbraw/zinc/81/13/95/1283811395.db2.gz YUIIXALMSRSZCF-OALUTQOASA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379706 1283838465 /nfs/dbraw/zinc/83/84/65/1283838465.db2.gz GPZUPRFROYYDIW-IBGZPJMESA-N 1 3 344.503 2.701 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379706 1283838475 /nfs/dbraw/zinc/83/84/75/1283838475.db2.gz GPZUPRFROYYDIW-IBGZPJMESA-N 1 3 344.503 2.701 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093384427 1283861158 /nfs/dbraw/zinc/86/11/58/1283861158.db2.gz ZLAZQESJDPACKE-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093384427 1283861163 /nfs/dbraw/zinc/86/11/63/1283861163.db2.gz ZLAZQESJDPACKE-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+](C)CCOc1cc(Br)ccc1Nc1ncc[nH]1 ZINC001176085702 1287676008 /nfs/dbraw/zinc/67/60/08/1287676008.db2.gz OWTNYKIYAVPQPM-UHFFFAOYSA-N 1 3 325.210 2.856 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)C1 ZINC001176056844 1287688042 /nfs/dbraw/zinc/68/80/42/1287688042.db2.gz LAKPPMCVWNBXFM-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)C1 ZINC001176056844 1287688047 /nfs/dbraw/zinc/68/80/47/1287688047.db2.gz LAKPPMCVWNBXFM-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001132736839 1284205503 /nfs/dbraw/zinc/20/55/03/1284205503.db2.gz DJDLFPMINLOZTA-MRXNPFEDSA-N 1 3 337.895 2.668 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001132736839 1284205513 /nfs/dbraw/zinc/20/55/13/1284205513.db2.gz DJDLFPMINLOZTA-MRXNPFEDSA-N 1 3 337.895 2.668 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)CC1 ZINC001036852802 1284325202 /nfs/dbraw/zinc/32/52/02/1284325202.db2.gz JVOVUWCRQULTGZ-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)CC1 ZINC001036852802 1284325215 /nfs/dbraw/zinc/32/52/15/1284325215.db2.gz JVOVUWCRQULTGZ-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853184 1284325792 /nfs/dbraw/zinc/32/57/92/1284325792.db2.gz PHKSTDLBDLAXSK-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853184 1284325802 /nfs/dbraw/zinc/32/58/02/1284325802.db2.gz PHKSTDLBDLAXSK-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCCF ZINC001132823758 1284334735 /nfs/dbraw/zinc/33/47/35/1284334735.db2.gz LFRBVPNHUYCVTQ-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132893858 1284430187 /nfs/dbraw/zinc/43/01/87/1284430187.db2.gz SUWNFFJLFNPVNE-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001132936268 1284465188 /nfs/dbraw/zinc/46/51/88/1284465188.db2.gz AYOWPEPUODWXLX-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132936627 1284482828 /nfs/dbraw/zinc/48/28/28/1284482828.db2.gz CNNGNEYNCVCOHC-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1C ZINC001132936626 1284482868 /nfs/dbraw/zinc/48/28/68/1284482868.db2.gz CNNGNEYNCVCOHC-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cs1 ZINC001093824050 1284543611 /nfs/dbraw/zinc/54/36/11/1284543611.db2.gz FKIQDKZKKCZBGM-XWIAVFTESA-N 1 3 349.544 2.581 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001093824530 1284543965 /nfs/dbraw/zinc/54/39/65/1284543965.db2.gz ZPAUUCJLVSJTAC-ATZDWAIDSA-N 1 3 347.547 2.591 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2F)[C@H](C)C1)N(C)C ZINC001093857528 1284572086 /nfs/dbraw/zinc/57/20/86/1284572086.db2.gz JRNQYKFYWGPQBI-SZVBFZGTSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1)N(C)C ZINC001093857387 1284572681 /nfs/dbraw/zinc/57/26/81/1284572681.db2.gz BSNWODWENNCJIJ-MISYRCLQSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1)N(C)C ZINC001094020582 1284713690 /nfs/dbraw/zinc/71/36/90/1284713690.db2.gz MUGAPJDUWDHEOK-BHIYHBOVSA-N 1 3 349.563 2.837 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001094040288 1284728616 /nfs/dbraw/zinc/72/86/16/1284728616.db2.gz FIOOHJLAUKDZIM-NLWGTHIKSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cs1 ZINC001094040165 1284728704 /nfs/dbraw/zinc/72/87/04/1284728704.db2.gz DCEYZBXLCFVGPZ-RVKKMQEKSA-N 1 3 349.544 2.725 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001094042487 1284730253 /nfs/dbraw/zinc/73/02/53/1284730253.db2.gz VEGFXRACFNBIEV-ZHALLVOQSA-N 1 3 347.547 2.735 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001094049171 1284733733 /nfs/dbraw/zinc/73/37/33/1284733733.db2.gz KUHSDMDUEKLHTN-QRQLOZEOSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2F)[C@H](C)C1)N(C)C ZINC001094049154 1284733778 /nfs/dbraw/zinc/73/37/78/1284733778.db2.gz JRNQYKFYWGPQBI-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120739 1284830115 /nfs/dbraw/zinc/83/01/15/1284830115.db2.gz ABTVXCZCGZDFJJ-ZWKOTPCHSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133120971 1284830778 /nfs/dbraw/zinc/83/07/78/1284830778.db2.gz CSKMEYUEUUUPOB-FUHWJXTLSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133135815 1284851252 /nfs/dbraw/zinc/85/12/52/1284851252.db2.gz XKWIWCRTISUDCP-HZPDHXFCSA-N 1 3 334.508 2.853 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133178033 1284934906 /nfs/dbraw/zinc/93/49/06/1284934906.db2.gz JTFZKVOOGKQNBM-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133178036 1284935306 /nfs/dbraw/zinc/93/53/06/1284935306.db2.gz JTJASOVTGYJUMT-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133178073 1284935651 /nfs/dbraw/zinc/93/56/51/1284935651.db2.gz KGKGIFHJRZGYMH-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133178037 1284936016 /nfs/dbraw/zinc/93/60/16/1284936016.db2.gz JTJASOVTGYJUMT-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133178283 1284936880 /nfs/dbraw/zinc/93/68/80/1284936880.db2.gz NVQPRZVKYFZIFL-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133181437 1284943902 /nfs/dbraw/zinc/94/39/02/1284943902.db2.gz BFQZXEIBJROEHH-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001133185519 1284950865 /nfs/dbraw/zinc/95/08/65/1284950865.db2.gz FCLNIGPFOWRYIP-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133190792 1284966107 /nfs/dbraw/zinc/96/61/07/1284966107.db2.gz IOVWUTMSSAFYKP-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133190173 1284966151 /nfs/dbraw/zinc/96/61/51/1284966151.db2.gz FBZGVKVELCXHRQ-HKUYNNGSSA-N 1 3 331.504 2.603 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001133195775 1284974319 /nfs/dbraw/zinc/97/43/19/1284974319.db2.gz STPYEPPAUMMSJL-LJIZSIIESA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094413668 1285037632 /nfs/dbraw/zinc/03/76/32/1285037632.db2.gz HUKYBVLPLGNXKJ-ZHALLVOQSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094413668 1285037646 /nfs/dbraw/zinc/03/76/46/1285037646.db2.gz HUKYBVLPLGNXKJ-ZHALLVOQSA-N 1 3 339.499 2.580 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812322628 1285050131 /nfs/dbraw/zinc/05/01/31/1285050131.db2.gz JCFLTZGZNHHGKI-LSDHHAIUSA-N 1 3 341.455 2.518 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812322628 1285050142 /nfs/dbraw/zinc/05/01/42/1285050142.db2.gz JCFLTZGZNHHGKI-LSDHHAIUSA-N 1 3 341.455 2.518 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133274088 1285113910 /nfs/dbraw/zinc/11/39/10/1285113910.db2.gz BAUVKULCWFDWOU-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133274524 1285115409 /nfs/dbraw/zinc/11/54/09/1285115409.db2.gz JRGPYZJXTVRNFR-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133275388 1285115528 /nfs/dbraw/zinc/11/55/28/1285115528.db2.gz SKFXBXXMQBQRHE-MSOLQXFVSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133274600 1285115620 /nfs/dbraw/zinc/11/56/20/1285115620.db2.gz KZTBNWDGPRDPSM-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133347764 1285236392 /nfs/dbraw/zinc/23/63/92/1285236392.db2.gz ZIDHWKOUPKNAFM-WMZOPIPTSA-N 1 3 337.552 2.837 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)C1(N(C)C)CCC1 ZINC001133398251 1285316502 /nfs/dbraw/zinc/31/65/02/1285316502.db2.gz MOGVKXFDWQNSEU-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902940 1285385224 /nfs/dbraw/zinc/38/52/24/1285385224.db2.gz SJTPSFRLLSOVNX-ICSRJNTNSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902940 1285385234 /nfs/dbraw/zinc/38/52/34/1285385234.db2.gz SJTPSFRLLSOVNX-ICSRJNTNSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001133434661 1285425593 /nfs/dbraw/zinc/42/55/93/1285425593.db2.gz XQWQDCGAEZZZLI-CZUORRHYSA-N 1 3 325.884 2.693 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001171501989 1285610229 /nfs/dbraw/zinc/61/02/29/1285610229.db2.gz ZMBFINWEQLLSOB-QFBILLFUSA-N 1 3 349.519 2.800 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171585976 1285635671 /nfs/dbraw/zinc/63/56/71/1285635671.db2.gz GMMKQKFRYUWJJV-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1C ZINC001171587164 1285638520 /nfs/dbraw/zinc/63/85/20/1285638520.db2.gz ZFFNSWZCHZEKEI-MRXNPFEDSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCCCOC ZINC001171596743 1285669243 /nfs/dbraw/zinc/66/92/43/1285669243.db2.gz QMPVXHHXEWXGQU-QGZVFWFLSA-N 1 3 343.556 2.798 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC1(C)C ZINC001171634823 1285716376 /nfs/dbraw/zinc/71/63/76/1285716376.db2.gz HUSLQKXDXYOHMY-FQEVSTJZSA-N 1 3 343.519 2.783 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CC[C@]3(CCN3c3ncccn3)C2)CC1(C)C ZINC001171634823 1285716380 /nfs/dbraw/zinc/71/63/80/1285716380.db2.gz HUSLQKXDXYOHMY-FQEVSTJZSA-N 1 3 343.519 2.783 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC001171637467 1285716401 /nfs/dbraw/zinc/71/64/01/1285716401.db2.gz OLFLHWBPICANTF-MRXNPFEDSA-N 1 3 335.536 2.972 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC001171637467 1285716406 /nfs/dbraw/zinc/71/64/06/1285716406.db2.gz OLFLHWBPICANTF-MRXNPFEDSA-N 1 3 335.536 2.972 20 0 EFADHO CCNC(=O)OC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641147 1285719414 /nfs/dbraw/zinc/71/94/14/1285719414.db2.gz DTZKWQRZIVSIBA-UHFFFAOYSA-N 1 3 325.497 2.848 20 0 EFADHO CCNC(=O)OC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171641147 1285719419 /nfs/dbraw/zinc/71/94/19/1285719419.db2.gz DTZKWQRZIVSIBA-UHFFFAOYSA-N 1 3 325.497 2.848 20 0 EFADHO CCN1CC2(CC1=O)CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171641333 1285720816 /nfs/dbraw/zinc/72/08/16/1285720816.db2.gz OYKJLDBXHWFTQK-UHFFFAOYSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H]1C[C@H](N2CCCc3ccc(CN)nc32)C[N@@H+]1Cc1ccccc1 ZINC001171733651 1285740158 /nfs/dbraw/zinc/74/01/58/1285740158.db2.gz XIJCUHFVPNIUJZ-JXFKEZNVSA-N 1 3 336.483 2.956 20 0 EFADHO C[C@H]1C[C@H](N2CCCc3ccc(CN)nc32)C[N@H+]1Cc1ccccc1 ZINC001171733651 1285740159 /nfs/dbraw/zinc/74/01/59/1285740159.db2.gz XIJCUHFVPNIUJZ-JXFKEZNVSA-N 1 3 336.483 2.956 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001171725839 1285742087 /nfs/dbraw/zinc/74/20/87/1285742087.db2.gz SXUMHWLLUPKOFM-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001171725839 1285742096 /nfs/dbraw/zinc/74/20/96/1285742096.db2.gz SXUMHWLLUPKOFM-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001171725808 1285743061 /nfs/dbraw/zinc/74/30/61/1285743061.db2.gz RMQAFZSPCXLZRI-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001171725808 1285743070 /nfs/dbraw/zinc/74/30/70/1285743070.db2.gz RMQAFZSPCXLZRI-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CC/C=C\c1cccc(OC)c1 ZINC001171769656 1285776332 /nfs/dbraw/zinc/77/63/32/1285776332.db2.gz CAWZVPKJFPVYGH-UITAMQMPSA-N 1 3 347.503 2.536 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001171770529 1285777218 /nfs/dbraw/zinc/77/72/18/1285777218.db2.gz RFRKGXCVGAOAGL-CQSZACIVSA-N 1 3 325.884 2.839 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccccc1OC1CC1)[NH+](CC)CC ZINC001133690116 1285785400 /nfs/dbraw/zinc/78/54/00/1285785400.db2.gz HYNIPFUNCMNUOM-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO Fc1cccc2c1C[C@H]([NH2+]C1CCN(CC3CCOCC3)CC1)C2 ZINC001171785233 1285804731 /nfs/dbraw/zinc/80/47/31/1285804731.db2.gz LEBAVMXMAMHYCM-GOSISDBHSA-N 1 3 332.463 2.774 20 0 EFADHO Fc1cccc2c1C[C@H](NC1CC[NH+](CC3CCOCC3)CC1)C2 ZINC001171785233 1285804737 /nfs/dbraw/zinc/80/47/37/1285804737.db2.gz LEBAVMXMAMHYCM-GOSISDBHSA-N 1 3 332.463 2.774 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CCC[NH3+])CC1 ZINC001171961240 1285918201 /nfs/dbraw/zinc/91/82/01/1285918201.db2.gz UBBOGQZGMMKOLP-CQSZACIVSA-N 1 3 329.410 2.603 20 0 EFADHO CN1C(=O)CC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974148 1285956808 /nfs/dbraw/zinc/95/68/08/1285956808.db2.gz ASQXRLRERBJEGP-ZWKOTPCHSA-N 1 3 329.488 2.640 20 0 EFADHO CN1C(=O)CC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974148 1285956815 /nfs/dbraw/zinc/95/68/15/1285956815.db2.gz ASQXRLRERBJEGP-ZWKOTPCHSA-N 1 3 329.488 2.640 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973421 1285958081 /nfs/dbraw/zinc/95/80/81/1285958081.db2.gz YXHVZCHRUFEHCO-OKZBNKHCSA-N 1 3 330.472 2.971 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973421 1285958088 /nfs/dbraw/zinc/95/80/88/1285958088.db2.gz YXHVZCHRUFEHCO-OKZBNKHCSA-N 1 3 330.472 2.971 20 0 EFADHO CC1(C)C[C@H](NC[C@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171977625 1285960235 /nfs/dbraw/zinc/96/02/35/1285960235.db2.gz SIOSUAQMFHJTPZ-QZTJIDSGSA-N 1 3 329.488 2.688 20 0 EFADHO CC1(C)C[C@H](NC[C@H]2CCCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171977625 1285960237 /nfs/dbraw/zinc/96/02/37/1285960237.db2.gz SIOSUAQMFHJTPZ-QZTJIDSGSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001133819924 1285975572 /nfs/dbraw/zinc/97/55/72/1285975572.db2.gz RTFJNTFMTXRIEX-PRSOIBJXSA-N 1 3 335.879 2.543 20 0 EFADHO CCN1CC[C@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1=O ZINC001172048125 1285989233 /nfs/dbraw/zinc/98/92/33/1285989233.db2.gz MYVCRIHPVBBFPO-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CC[C@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1=O ZINC001172048125 1285989237 /nfs/dbraw/zinc/98/92/37/1285989237.db2.gz MYVCRIHPVBBFPO-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073942 1285992624 /nfs/dbraw/zinc/99/26/24/1285992624.db2.gz FKAOICCDQLKNEM-ZPAWYTMASA-N 1 3 325.500 2.960 20 0 EFADHO CN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073942 1285992633 /nfs/dbraw/zinc/99/26/33/1285992633.db2.gz FKAOICCDQLKNEM-ZPAWYTMASA-N 1 3 325.500 2.960 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072797 1285992720 /nfs/dbraw/zinc/99/27/20/1285992720.db2.gz NBPHSFQLJQDWQQ-XSDIEEQYSA-N 1 3 341.499 2.783 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072797 1285992728 /nfs/dbraw/zinc/99/27/28/1285992728.db2.gz NBPHSFQLJQDWQQ-XSDIEEQYSA-N 1 3 341.499 2.783 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001172127803 1286011440 /nfs/dbraw/zinc/01/14/40/1286011440.db2.gz KPYYKEVVEDOZNM-ZSHCYNCHSA-N 1 3 337.508 2.848 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3ccc(Cl)cn3)CC1)C2 ZINC001172127389 1286011719 /nfs/dbraw/zinc/01/17/19/1286011719.db2.gz IXZGKLBUFXUPCS-BJWYYQGGSA-N 1 3 334.895 2.872 20 0 EFADHO COc1cccc(CN2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)c1 ZINC001172128810 1286012623 /nfs/dbraw/zinc/01/26/23/1286012623.db2.gz UKSFWHDZZJCHKP-PMOLBWCYSA-N 1 3 343.515 2.828 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001172129113 1286012678 /nfs/dbraw/zinc/01/26/78/1286012678.db2.gz WMHAULHQIKTQOY-GDNZZTSVSA-N 1 3 328.382 2.735 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001172129113 1286012687 /nfs/dbraw/zinc/01/26/87/1286012687.db2.gz WMHAULHQIKTQOY-GDNZZTSVSA-N 1 3 328.382 2.735 20 0 EFADHO CCC/C=C/CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850664 1286012971 /nfs/dbraw/zinc/01/29/71/1286012971.db2.gz PLEBMTLKNJVVDL-DVBCCOPCSA-N 1 3 327.488 2.651 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133851014 1286013209 /nfs/dbraw/zinc/01/32/09/1286013209.db2.gz UXCSXLWPTFOQKL-FQEVSTJZSA-N 1 3 349.494 2.722 20 0 EFADHO COc1ccnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132471 1286015523 /nfs/dbraw/zinc/01/55/23/1286015523.db2.gz LNIRMNVMVPMVTC-LHHMISFZSA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132471 1286015525 /nfs/dbraw/zinc/01/55/25/1286015525.db2.gz LNIRMNVMVPMVTC-LHHMISFZSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172132499 1286015754 /nfs/dbraw/zinc/01/57/54/1286015754.db2.gz LWVSAPPDZZCURZ-VSZNYVQBSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172132499 1286015757 /nfs/dbraw/zinc/01/57/57/1286015757.db2.gz LWVSAPPDZZCURZ-VSZNYVQBSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172132500 1286015833 /nfs/dbraw/zinc/01/58/33/1286015833.db2.gz LWVSAPPDZZCURZ-XMTFNYHQSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172132500 1286015835 /nfs/dbraw/zinc/01/58/35/1286015835.db2.gz LWVSAPPDZZCURZ-XMTFNYHQSA-N 1 3 345.487 2.949 20 0 EFADHO COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001172110005 1286024089 /nfs/dbraw/zinc/02/40/89/1286024089.db2.gz IEKLGSVSMCIEEV-VXIBKDFQSA-N 1 3 346.471 2.904 20 0 EFADHO CCOC(=O)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172115659 1286025905 /nfs/dbraw/zinc/02/59/05/1286025905.db2.gz UWSQBMKIWPTUTE-RDGPPVDQSA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172115659 1286025908 /nfs/dbraw/zinc/02/59/08/1286025908.db2.gz UWSQBMKIWPTUTE-RDGPPVDQSA-N 1 3 330.472 2.938 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001165718318 1312669966 /nfs/dbraw/zinc/66/99/66/1312669966.db2.gz IUHULAWATJCIMS-LJQANCHMSA-N 1 3 345.531 2.754 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856549 1286031494 /nfs/dbraw/zinc/03/14/94/1286031494.db2.gz ISZLXYNNRXIWAA-YJBOKZPZSA-N 1 3 329.504 2.587 20 0 EFADHO COc1ccccc1CN1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172122452 1286031896 /nfs/dbraw/zinc/03/18/96/1286031896.db2.gz QRLHLGQCZCQJKF-PMOLBWCYSA-N 1 3 343.515 2.828 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3nc4ccccc4o3)CC1)C2 ZINC001172123119 1286032310 /nfs/dbraw/zinc/03/23/10/1286032310.db2.gz YEHGWHLDCNVLKM-BJWYYQGGSA-N 1 3 340.471 2.965 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001133856816 1286032657 /nfs/dbraw/zinc/03/26/57/1286032657.db2.gz RUJWIKJLCKSFIZ-HNAYVOBHSA-N 1 3 335.467 2.666 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001133856817 1286032872 /nfs/dbraw/zinc/03/28/72/1286032872.db2.gz RUJWIKJLCKSFIZ-KXBFYZLASA-N 1 3 335.467 2.666 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001165718526 1312670005 /nfs/dbraw/zinc/67/00/05/1312670005.db2.gz LGVBHXDPMWXAEJ-GOSISDBHSA-N 1 3 349.494 2.850 20 0 EFADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)CCN12 ZINC001172154886 1286040733 /nfs/dbraw/zinc/04/07/33/1286040733.db2.gz IXOYKEOHLGGLFH-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172182391 1286049855 /nfs/dbraw/zinc/04/98/55/1286049855.db2.gz GWZJNAKFMXXZKE-MOPGFXCFSA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172182391 1286049857 /nfs/dbraw/zinc/04/98/57/1286049857.db2.gz GWZJNAKFMXXZKE-MOPGFXCFSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc2c(c1)CCC2 ZINC001133896941 1286077615 /nfs/dbraw/zinc/07/76/15/1286077615.db2.gz WPHCEXWGFZNGSF-MRXNPFEDSA-N 1 3 343.515 2.674 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001133896454 1286077686 /nfs/dbraw/zinc/07/76/86/1286077686.db2.gz JONOMEIDMWKIMH-ONEGZZNKSA-N 1 3 349.906 2.791 20 0 EFADHO CCOc1ccccc1OCCNC1CC[NH+](CCCOC)CC1 ZINC001172246854 1286077782 /nfs/dbraw/zinc/07/77/82/1286077782.db2.gz XIAJFXMGQLADLQ-UHFFFAOYSA-N 1 3 336.476 2.555 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001133896485 1286077777 /nfs/dbraw/zinc/07/77/77/1286077777.db2.gz KSRODOBUXLUSPK-POHAHGRESA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(Cl)cc1 ZINC001133897080 1286077952 /nfs/dbraw/zinc/07/79/52/1286077952.db2.gz YEZXHSQKZLXLEK-AWEZNQCLSA-N 1 3 337.895 2.839 20 0 EFADHO CN(CC(=O)NCC[NH2+]CC1CCC(C)(C)CC1)CC(C)(C)C ZINC001133906447 1286089897 /nfs/dbraw/zinc/08/98/97/1286089897.db2.gz WHPHQEFUIIRZCK-UHFFFAOYSA-N 1 3 325.541 2.887 20 0 EFADHO CN(CC(=O)NCC[NH2+]CCc1ccccc1Cl)CC(C)(C)C ZINC001133908539 1286092270 /nfs/dbraw/zinc/09/22/70/1286092270.db2.gz WIRVSYUKMMYNJJ-UHFFFAOYSA-N 1 3 339.911 2.566 20 0 EFADHO CN(CC(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21)CC(C)(C)C ZINC001133908622 1286092379 /nfs/dbraw/zinc/09/23/79/1286092379.db2.gz ZMTLPKMDBAGXFZ-GOSISDBHSA-N 1 3 345.531 2.790 20 0 EFADHO CC1(C)C[C@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)CO1 ZINC001172287927 1286107386 /nfs/dbraw/zinc/10/73/86/1286107386.db2.gz QMXDOSGSPSNBJS-SFHVURJKSA-N 1 3 329.488 2.937 20 0 EFADHO CC[NH+](CC)CCCN1CCN([C@@H](C)CCOCC(C)C)CC1 ZINC001172475342 1286142609 /nfs/dbraw/zinc/14/26/09/1286142609.db2.gz IFPXROONIGPWRZ-IBGZPJMESA-N 1 3 327.557 2.787 20 0 EFADHO CC(C)COCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172462615 1286159141 /nfs/dbraw/zinc/15/91/41/1286159141.db2.gz TYGQEAPHEWOETF-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524259 1286164339 /nfs/dbraw/zinc/16/43/39/1286164339.db2.gz WTJLNPWWZNLQKY-BVBHFADKSA-N 1 3 329.488 2.502 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]CCc1cc(Cl)ccc1Cl)N(C)C ZINC001133965823 1286171959 /nfs/dbraw/zinc/17/19/59/1286171959.db2.gz LHWZGHJYSNGTNK-HNNXBMFYSA-N 1 3 346.302 2.582 20 0 EFADHO [NH3+]C1(CC2CC2)CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172665878 1286236700 /nfs/dbraw/zinc/23/67/00/1286236700.db2.gz CAEBNWHSYHMTAW-IBGZPJMESA-N 1 3 341.499 2.771 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001172971436 1286361563 /nfs/dbraw/zinc/36/15/63/1286361563.db2.gz NTHSFKDGOXSTMW-GVDBMIGSSA-N 1 3 339.524 2.906 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001173000599 1286379072 /nfs/dbraw/zinc/37/90/72/1286379072.db2.gz QWYXNFXENWXNJO-MOPGFXCFSA-N 1 3 347.478 2.893 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3ccc(OC)cn3)CC2)CC1 ZINC001173113242 1286415260 /nfs/dbraw/zinc/41/52/60/1286415260.db2.gz IOFMAPKLQPMLHL-UHFFFAOYSA-N 1 3 346.519 2.865 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173135987 1286424647 /nfs/dbraw/zinc/42/46/47/1286424647.db2.gz ZFYOTHTXBZCTLU-QFBILLFUSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)[N@H+]1CCOC[C@]2(CCCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173135987 1286424652 /nfs/dbraw/zinc/42/46/52/1286424652.db2.gz ZFYOTHTXBZCTLU-QFBILLFUSA-N 1 3 349.544 2.823 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@@H]2CCCC3(CCCCC3)C2)CCC1=O ZINC001173343845 1286531156 /nfs/dbraw/zinc/53/11/56/1286531156.db2.gz OUGYWOWYIDEVQH-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@@H]2CCCC3(CCCCC3)C2)CCC1=O ZINC001173343845 1286531162 /nfs/dbraw/zinc/53/11/62/1286531162.db2.gz OUGYWOWYIDEVQH-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170749753 1286674544 /nfs/dbraw/zinc/67/45/44/1286674544.db2.gz BVQRZVNPORMYJF-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170750791 1286725223 /nfs/dbraw/zinc/72/52/23/1286725223.db2.gz NPXMLJZZJSULPZ-QZTJIDSGSA-N 1 3 341.540 2.549 20 0 EFADHO COCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170751273 1286731920 /nfs/dbraw/zinc/73/19/20/1286731920.db2.gz PYCNLURCGGFMFN-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173666010 1286743742 /nfs/dbraw/zinc/74/37/42/1286743742.db2.gz VHRPFNBXSABBNW-SJORKVTESA-N 1 3 331.460 2.634 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134583761 1286917448 /nfs/dbraw/zinc/91/74/48/1286917448.db2.gz NYJHHLDKRSSWNL-IAGOWNOFSA-N 1 3 331.504 2.586 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001134584775 1286918520 /nfs/dbraw/zinc/91/85/20/1286918520.db2.gz WWNFAYZWZBLTBY-CVEARBPZSA-N 1 3 346.519 2.556 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611715 1286948139 /nfs/dbraw/zinc/94/81/39/1286948139.db2.gz AOFLSINTONSEAH-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134612003 1286949172 /nfs/dbraw/zinc/94/91/72/1286949172.db2.gz GFHSARGYRASSDW-HOTGVXAUSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)CN(C)C1CCC1 ZINC001134612095 1286949304 /nfs/dbraw/zinc/94/93/04/1286949304.db2.gz HSPKFFXLYLCMEZ-NWDGAFQWSA-N 1 3 336.307 2.663 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134612005 1286949622 /nfs/dbraw/zinc/94/96/22/1286949622.db2.gz GFHSARGYRASSDW-JKSUJKDBSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)n1 ZINC001134608182 1286969017 /nfs/dbraw/zinc/96/90/17/1286969017.db2.gz RTXAAYJUNMYQDO-JKSUJKDBSA-N 1 3 346.519 2.556 20 0 EFADHO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134607648 1286969081 /nfs/dbraw/zinc/96/90/81/1286969081.db2.gz JEQFOCRMKVWRKF-HOTGVXAUSA-N 1 3 347.503 2.552 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170768924 1287110035 /nfs/dbraw/zinc/11/00/35/1287110035.db2.gz AHHYHQZAKSTXSS-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001174682196 1287111862 /nfs/dbraw/zinc/11/18/62/1287111862.db2.gz FQBPEXGOJNRZSB-LBPRGKRZSA-N 1 3 334.851 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001174684092 1287113698 /nfs/dbraw/zinc/11/36/98/1287113698.db2.gz YZHKBAUCVFMFTL-KRWDZBQOSA-N 1 3 344.434 2.573 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001174691142 1287114895 /nfs/dbraw/zinc/11/48/95/1287114895.db2.gz IABJWUAFGXKFHY-UHFFFAOYSA-N 1 3 336.439 2.710 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001174692056 1287115330 /nfs/dbraw/zinc/11/53/30/1287115330.db2.gz RJBKETAWDLKTMD-INIZCTEOSA-N 1 3 332.423 2.647 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769222 1287121164 /nfs/dbraw/zinc/12/11/64/1287121164.db2.gz FYYOHIYAFGIGOX-INIZCTEOSA-N 1 3 329.504 2.875 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@H]1CCCN1C ZINC001174705704 1287128771 /nfs/dbraw/zinc/12/87/71/1287128771.db2.gz MLXIOAFSJBQABD-NQAKMWCRSA-N 1 3 336.307 2.664 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001134762794 1287158961 /nfs/dbraw/zinc/15/89/61/1287158961.db2.gz GUHXVWDBRYRRRA-QGZVFWFLSA-N 1 3 337.533 2.649 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134763153 1287159745 /nfs/dbraw/zinc/15/97/45/1287159745.db2.gz OAQSBNSDJCRKJZ-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001134762784 1287160182 /nfs/dbraw/zinc/16/01/82/1287160182.db2.gz GGONBWUZPUXXMG-QGZVFWFLSA-N 1 3 337.895 2.809 20 0 EFADHO Cc1ccc(CC[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001134763394 1287160222 /nfs/dbraw/zinc/16/02/22/1287160222.db2.gz XDYFQVJIHKTNCU-IBGZPJMESA-N 1 3 331.504 2.506 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001134765946 1287163716 /nfs/dbraw/zinc/16/37/16/1287163716.db2.gz AUQQUMBBJXWIMC-LJQANCHMSA-N 1 3 342.487 2.637 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766619 1287164016 /nfs/dbraw/zinc/16/40/16/1287164016.db2.gz JRSJANWSSLFELU-GOSISDBHSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c(C)c1 ZINC001134766796 1287164052 /nfs/dbraw/zinc/16/40/52/1287164052.db2.gz MMVPMBGGFUACSZ-IBGZPJMESA-N 1 3 331.504 2.772 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134772534 1287169529 /nfs/dbraw/zinc/16/95/29/1287169529.db2.gz FSDCMKOFQULRNX-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134772534 1287169531 /nfs/dbraw/zinc/16/95/31/1287169531.db2.gz FSDCMKOFQULRNX-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccsc1 ZINC001134773079 1287169942 /nfs/dbraw/zinc/16/99/42/1287169942.db2.gz KNUIALITBMUSPJ-UONOGXRCSA-N 1 3 325.522 2.851 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134772533 1287170112 /nfs/dbraw/zinc/17/01/12/1287170112.db2.gz FSDCMKOFQULRNX-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001134772533 1287170115 /nfs/dbraw/zinc/17/01/15/1287170115.db2.gz FSDCMKOFQULRNX-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001134772353 1287170223 /nfs/dbraw/zinc/17/02/23/1287170223.db2.gz CILDTIRXGCPUFK-CHWSQXEVSA-N 1 3 333.467 2.635 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001134772894 1287170253 /nfs/dbraw/zinc/17/02/53/1287170253.db2.gz IVYHDAXRDIARBU-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001134772300 1287170617 /nfs/dbraw/zinc/17/06/17/1287170617.db2.gz BGAPAUMTLVXKEA-VXGBXAGGSA-N 1 3 325.419 2.542 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001134773929 1287171333 /nfs/dbraw/zinc/17/13/33/1287171333.db2.gz RQIFNZPJEPGLIH-AJGRILASSA-N 1 3 338.323 2.909 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001134773929 1287171335 /nfs/dbraw/zinc/17/13/35/1287171335.db2.gz RQIFNZPJEPGLIH-AJGRILASSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOCCC(C)C ZINC001134774424 1287173123 /nfs/dbraw/zinc/17/31/23/1287173123.db2.gz YFVBPHQOIUNMQX-SJORKVTESA-N 1 3 343.556 2.652 20 0 EFADHO COCCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770411 1287176304 /nfs/dbraw/zinc/17/63/04/1287176304.db2.gz WBUYWWWPGRIXLD-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC/C(Cl)=C/Cl ZINC001135297410 1287912048 /nfs/dbraw/zinc/91/20/48/1287912048.db2.gz BBOOWBWYBVBCSG-IMQMQEMRSA-N 1 3 336.307 2.520 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ncc(C)s1 ZINC001176285711 1287923010 /nfs/dbraw/zinc/92/30/10/1287923010.db2.gz PKTZWOGBPBXWDR-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(OC)c1 ZINC001176284679 1287923327 /nfs/dbraw/zinc/92/33/27/1287923327.db2.gz IXGJHKBGPGORHM-KRWDZBQOSA-N 1 3 349.519 2.802 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H]1CCCCO1 ZINC001176285729 1287923416 /nfs/dbraw/zinc/92/34/16/1287923416.db2.gz PXSLZMZRWGXPHR-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1scnc1C ZINC001176284183 1287923792 /nfs/dbraw/zinc/92/37/92/1287923792.db2.gz CRPYWAHKKZWEGV-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176286520 1287924859 /nfs/dbraw/zinc/92/48/59/1287924859.db2.gz WVVHOTRXDRWUCO-INIZCTEOSA-N 1 3 339.549 2.897 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176351600 1287961190 /nfs/dbraw/zinc/96/11/90/1287961190.db2.gz VJNDKNXJNHGZGP-CQSZACIVSA-N 1 3 346.450 2.865 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCCNCc2ccc(F)c(F)c2)cc1 ZINC001135336507 1287963416 /nfs/dbraw/zinc/96/34/16/1287963416.db2.gz ADNVOQHHQRAPMU-UHFFFAOYSA-N 1 3 347.409 2.546 20 0 EFADHO COCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481894 1288036767 /nfs/dbraw/zinc/03/67/67/1288036767.db2.gz YYCNVFAAZHGTHK-IRXDYDNUSA-N 1 3 343.556 2.654 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566135 1288041217 /nfs/dbraw/zinc/04/12/17/1288041217.db2.gz YPUOMZBKAFMDGS-OVAFBMODSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566135 1288041224 /nfs/dbraw/zinc/04/12/24/1288041224.db2.gz YPUOMZBKAFMDGS-OVAFBMODSA-N 1 3 336.307 2.522 20 0 EFADHO CC(C)COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475835 1288046863 /nfs/dbraw/zinc/04/68/63/1288046863.db2.gz GDHDRWQOUPIAGU-IAGOWNOFSA-N 1 3 343.556 2.510 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC001135511404 1288067949 /nfs/dbraw/zinc/06/79/49/1288067949.db2.gz QPTYYIZEWXJYLD-UHFFFAOYSA-N 1 3 345.512 2.963 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]CCc1cc(Cl)ccc1Cl ZINC001135511417 1288068274 /nfs/dbraw/zinc/06/82/74/1288068274.db2.gz RKZXQPKADLPOQA-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472126 1289153969 /nfs/dbraw/zinc/15/39/69/1289153969.db2.gz HCJAFOCFFSDENL-WMZOPIPTSA-N 1 3 347.503 2.505 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001176753693 1288120939 /nfs/dbraw/zinc/12/09/39/1288120939.db2.gz KSVFJNKGTDYRSU-OZYJXZHSSA-N 1 3 338.323 2.910 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCOC ZINC001176758459 1288121373 /nfs/dbraw/zinc/12/13/73/1288121373.db2.gz CKQOBKQVZXEHED-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176760256 1288122355 /nfs/dbraw/zinc/12/23/55/1288122355.db2.gz SBMGVCBVSRIIII-HKUYNNGSSA-N 1 3 346.519 2.721 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]Cc2cccc(F)c2)c1 ZINC001176890226 1288163924 /nfs/dbraw/zinc/16/39/24/1288163924.db2.gz NHVHBMYNSQTUSW-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC2=CCCCC2)c1 ZINC001176890039 1288164089 /nfs/dbraw/zinc/16/40/89/1288164089.db2.gz KQIZWFMACOSXJR-UHFFFAOYSA-N 1 3 329.488 2.958 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001176948026 1288190673 /nfs/dbraw/zinc/19/06/73/1288190673.db2.gz CJBKMDHLTARKNW-ZIFCJYIRSA-N 1 3 343.515 2.894 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)c2ccccc2CN(C)C)c1 ZINC001176948146 1288191511 /nfs/dbraw/zinc/19/15/11/1288191511.db2.gz IKSQXCPLRJKXTD-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001176972376 1288201253 /nfs/dbraw/zinc/20/12/53/1288201253.db2.gz YPKMGFNQZFEDFC-KRWDZBQOSA-N 1 3 337.895 2.763 20 0 EFADHO CC(C)COc1cccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176974804 1288203391 /nfs/dbraw/zinc/20/33/91/1288203391.db2.gz BFIUZEYVDOWCOJ-UHFFFAOYSA-N 1 3 349.519 2.658 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001176986017 1288206519 /nfs/dbraw/zinc/20/65/19/1288206519.db2.gz BFJFIKSSFVMQCH-QGZVFWFLSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001176986116 1288206729 /nfs/dbraw/zinc/20/67/29/1288206729.db2.gz FEMKZBFGJNIUMI-HXUWFJFHSA-N 1 3 343.515 2.646 20 0 EFADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176986875 1288207624 /nfs/dbraw/zinc/20/76/24/1288207624.db2.gz XNJRKTHEWRTUDX-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001176986339 1288207665 /nfs/dbraw/zinc/20/76/65/1288207665.db2.gz LCGQWSBIYHXFGC-CQSZACIVSA-N 1 3 325.884 2.837 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001176992359 1288217754 /nfs/dbraw/zinc/21/77/54/1288217754.db2.gz NBYBLMLAIRMIOB-YJBOKZPZSA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001176992411 1288218637 /nfs/dbraw/zinc/21/86/37/1288218637.db2.gz OORZNCACYBLRHH-OALUTQOASA-N 1 3 347.478 2.783 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001135691151 1288267567 /nfs/dbraw/zinc/26/75/67/1288267567.db2.gz PGBSIFBBGZCREQ-QZTJIDSGSA-N 1 3 348.535 2.967 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOCC ZINC001135691220 1288268755 /nfs/dbraw/zinc/26/87/55/1288268755.db2.gz QHWHPOIIRZPJAK-ROUUACIJSA-N 1 3 343.556 2.798 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135743175 1288323533 /nfs/dbraw/zinc/32/35/33/1288323533.db2.gz GGDOWZMDBPPCCD-DDABTOOBSA-N 1 3 331.504 2.915 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743674 1288324018 /nfs/dbraw/zinc/32/40/18/1288324018.db2.gz NZCVPBYMPWELPD-SJORKVTESA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135743202 1288324034 /nfs/dbraw/zinc/32/40/34/1288324034.db2.gz GPTCPGBLYPFLEZ-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135743649 1288324338 /nfs/dbraw/zinc/32/43/38/1288324338.db2.gz NONBXOXIKIRQPV-RYUDHWBXSA-N 1 3 346.928 2.511 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135743650 1288324436 /nfs/dbraw/zinc/32/44/36/1288324436.db2.gz NONBXOXIKIRQPV-VXGBXAGGSA-N 1 3 346.928 2.511 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135743200 1288324548 /nfs/dbraw/zinc/32/45/48/1288324548.db2.gz GPTCPGBLYPFLEZ-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001135744269 1288325602 /nfs/dbraw/zinc/32/56/02/1288325602.db2.gz YLWDAXWEXJIBDD-UONOGXRCSA-N 1 3 339.446 2.934 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135743971 1288325642 /nfs/dbraw/zinc/32/56/42/1288325642.db2.gz SNJBTKATZYNPAR-DLBZAZTESA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135743836 1288325735 /nfs/dbraw/zinc/32/57/35/1288325735.db2.gz QIRWICSREUJRTO-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135746628 1288327895 /nfs/dbraw/zinc/32/78/95/1288327895.db2.gz IPZLQWUYPVUYMR-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001135747010 1288328410 /nfs/dbraw/zinc/32/84/10/1288328410.db2.gz MJZOVZBVHGDJHM-CVEARBPZSA-N 1 3 337.483 2.583 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135747460 1288329219 /nfs/dbraw/zinc/32/92/19/1288329219.db2.gz QLNMGUNYELVRDD-SJORKVTESA-N 1 3 349.519 2.718 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001179499310 1289171592 /nfs/dbraw/zinc/17/15/92/1289171592.db2.gz SVLIUFULNHAAKY-LJQANCHMSA-N 1 3 348.535 2.742 20 0 EFADHO C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000817021454 1288377122 /nfs/dbraw/zinc/37/71/22/1288377122.db2.gz IPYZUDKMJURPGZ-DNVCBOLYSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000817021454 1288377128 /nfs/dbraw/zinc/37/71/28/1288377128.db2.gz IPYZUDKMJURPGZ-DNVCBOLYSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C)[C@@H](C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)C1CC1 ZINC001177339581 1288399151 /nfs/dbraw/zinc/39/91/51/1288399151.db2.gz LCZWNISHQZTDBI-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1)N(C)C ZINC001177349144 1288413962 /nfs/dbraw/zinc/41/39/62/1288413962.db2.gz ZKLKLELACAGTTF-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)N(C)C ZINC001177409693 1288421326 /nfs/dbraw/zinc/42/13/26/1288421326.db2.gz WUHLJKSZBGPFAY-QGZVFWFLSA-N 1 3 329.504 2.541 20 0 EFADHO CCCN(C)CC(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1 ZINC001177468786 1288432497 /nfs/dbraw/zinc/43/24/97/1288432497.db2.gz LUTZTBGVSWLXFO-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177430845 1288436358 /nfs/dbraw/zinc/43/63/58/1288436358.db2.gz AAWWPNHCEXFKKD-MRXNPFEDSA-N 1 3 338.471 2.699 20 0 EFADHO CC(C)=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431068 1288436929 /nfs/dbraw/zinc/43/69/29/1288436929.db2.gz IRQDWETYMVDVQH-UHFFFAOYSA-N 1 3 332.492 2.917 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817286268 1288503214 /nfs/dbraw/zinc/50/32/14/1288503214.db2.gz HHRBDGOZNZZSLO-AWEZNQCLSA-N 1 3 334.335 2.672 20 0 EFADHO CCN1CCC([N@H+]2CCCN(C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817286268 1288503219 /nfs/dbraw/zinc/50/32/19/1288503219.db2.gz HHRBDGOZNZZSLO-AWEZNQCLSA-N 1 3 334.335 2.672 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135979560 1288703953 /nfs/dbraw/zinc/70/39/53/1288703953.db2.gz HIMVAPOUDCDGKY-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135979559 1288704359 /nfs/dbraw/zinc/70/43/59/1288704359.db2.gz HIMVAPOUDCDGKY-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135980598 1288705713 /nfs/dbraw/zinc/70/57/13/1288705713.db2.gz QHYJYXFTLQEKJC-KBPBESRZSA-N 1 3 325.522 2.771 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135981114 1288706409 /nfs/dbraw/zinc/70/64/09/1288706409.db2.gz YDKRZMRKNFFKOL-MSOLQXFVSA-N 1 3 333.520 2.834 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135981007 1288707012 /nfs/dbraw/zinc/70/70/12/1288707012.db2.gz WGCZMWIRLCJSHE-QZTJIDSGSA-N 1 3 333.520 2.752 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178688849 1288871085 /nfs/dbraw/zinc/87/10/85/1288871085.db2.gz QDPGZIYNJPQRCA-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)C1CC1 ZINC001178698533 1288875992 /nfs/dbraw/zinc/87/59/92/1288875992.db2.gz KNOKYYZBHFJCCQ-AWEZNQCLSA-N 1 3 337.430 2.545 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(C)C1)N(C)C ZINC001178755127 1288893901 /nfs/dbraw/zinc/89/39/01/1288893901.db2.gz LFLROFOWRRIFIN-ABHNRTSZSA-N 1 3 325.541 2.885 20 0 EFADHO C[NH+](C)CCC(=O)NCCCNCc1c(Cl)cccc1Cl ZINC001165788370 1312681096 /nfs/dbraw/zinc/68/10/96/1312681096.db2.gz HSRYTJNYTDQGAB-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001178853699 1288944231 /nfs/dbraw/zinc/94/42/31/1288944231.db2.gz OPNMFWMBTHLEHV-UHFFFAOYSA-N 1 3 339.446 2.935 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCOC(C)C ZINC001178853684 1288944278 /nfs/dbraw/zinc/94/42/78/1288944278.db2.gz NZUNLMXEUSZWAC-UHFFFAOYSA-N 1 3 343.556 2.798 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@@H]1CCCCO1)N(C)C ZINC001178815433 1288944858 /nfs/dbraw/zinc/94/48/58/1288944858.db2.gz BWVXHJOKRQNAHF-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001178815726 1288945156 /nfs/dbraw/zinc/94/51/56/1288945156.db2.gz LAPRMILPZAYMLT-YBEMTRGBSA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001178815727 1288945212 /nfs/dbraw/zinc/94/52/12/1288945212.db2.gz LAPRMILPZAYMLT-YPDDLIOESA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001178816207 1288946104 /nfs/dbraw/zinc/94/61/04/1288946104.db2.gz WWYGVVGLROLMLY-OAHLLOKOSA-N 1 3 333.467 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001165809376 1312685408 /nfs/dbraw/zinc/68/54/08/1312685408.db2.gz AYUKRMRKRTWNKQ-UHFFFAOYSA-N 1 3 331.504 2.793 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001232367533 1312688800 /nfs/dbraw/zinc/68/88/00/1312688800.db2.gz HAHOXPDWFNIHSZ-UHFFFAOYSA-N 1 3 326.444 2.745 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001232367533 1312688802 /nfs/dbraw/zinc/68/88/02/1312688802.db2.gz HAHOXPDWFNIHSZ-UHFFFAOYSA-N 1 3 326.444 2.745 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538847 1289182214 /nfs/dbraw/zinc/18/22/14/1289182214.db2.gz JDXCKRDVZIJVEC-TXPKVOOTSA-N 1 3 341.515 2.824 20 0 EFADHO CCCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538675 1289182442 /nfs/dbraw/zinc/18/24/42/1289182442.db2.gz GMDBQLQKDGZHKV-BXWFABGCSA-N 1 3 341.515 2.968 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)cc2)[C@@H]1C)N(C)C ZINC001179554305 1289189071 /nfs/dbraw/zinc/18/90/71/1289189071.db2.gz ZXCBWNPEOONVON-IHPCNDPISA-N 1 3 345.531 2.847 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001179609492 1289198292 /nfs/dbraw/zinc/19/82/92/1289198292.db2.gz RTTWLXRUZNXUBJ-SFHVURJKSA-N 1 3 337.483 2.932 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001179613091 1289198980 /nfs/dbraw/zinc/19/89/80/1289198980.db2.gz QFCAQBUAVJLIBF-SFHVURJKSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001179580738 1289200925 /nfs/dbraw/zinc/20/09/25/1289200925.db2.gz NVLYCUSWIBEBMJ-SFHVURJKSA-N 1 3 346.519 2.641 20 0 EFADHO CC(C)OCC[NH+]1CCC2(CCCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277658563 1312691018 /nfs/dbraw/zinc/69/10/18/1312691018.db2.gz RYEAHTOIZYZPDK-UHFFFAOYSA-N 1 3 347.503 2.890 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179580420 1289201618 /nfs/dbraw/zinc/20/16/18/1289201618.db2.gz GCQNOLQNXSNLNI-INIZCTEOSA-N 1 3 337.533 2.999 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001179580652 1289201763 /nfs/dbraw/zinc/20/17/63/1289201763.db2.gz LJKNDBUICPICHI-KRWDZBQOSA-N 1 3 329.504 2.877 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@@H]1C ZINC001179744366 1289256118 /nfs/dbraw/zinc/25/61/18/1289256118.db2.gz MWGWRTXTKWPPSY-GJYPPUQNSA-N 1 3 347.503 2.677 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001179983195 1289351828 /nfs/dbraw/zinc/35/18/28/1289351828.db2.gz NZPBYFWVAPEYIG-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H]1C ZINC001179987380 1289353994 /nfs/dbraw/zinc/35/39/94/1289353994.db2.gz UBQGBMSTBCOLAJ-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCCCCNC/C(Cl)=C/Cl ZINC001179988747 1289354684 /nfs/dbraw/zinc/35/46/84/1289354684.db2.gz LKVQJGMBBZQSNF-OWBHPGMISA-N 1 3 338.323 2.913 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCCCCNC/C(Cl)=C/Cl ZINC001179988747 1289354692 /nfs/dbraw/zinc/35/46/92/1289354692.db2.gz LKVQJGMBBZQSNF-OWBHPGMISA-N 1 3 338.323 2.913 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1csc(C)n1 ZINC001179988946 1289355808 /nfs/dbraw/zinc/35/58/08/1289355808.db2.gz QRCLABAEKZJZBN-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1csc(C)n1 ZINC001179988946 1289355816 /nfs/dbraw/zinc/35/58/16/1289355816.db2.gz QRCLABAEKZJZBN-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1cc(C)nc(N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001165908574 1312702639 /nfs/dbraw/zinc/70/26/39/1312702639.db2.gz LWDNVPSIROWYBT-UHFFFAOYSA-N 1 3 325.460 2.947 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)c2cc1OC ZINC000872778199 1289376118 /nfs/dbraw/zinc/37/61/18/1289376118.db2.gz CVDLYMNTMLJZQW-SJORKVTESA-N 1 3 327.428 2.925 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4[C@@H]3CCC[N@H+]4C)c2cc1OC ZINC000872778199 1289376128 /nfs/dbraw/zinc/37/61/28/1289376128.db2.gz CVDLYMNTMLJZQW-SJORKVTESA-N 1 3 327.428 2.925 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1scnc1C ZINC001180123239 1289426076 /nfs/dbraw/zinc/42/60/76/1289426076.db2.gz CDBXOOQCGRMAHN-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC=C(Cl)Cl ZINC001180124326 1289427164 /nfs/dbraw/zinc/42/71/64/1289427164.db2.gz USPFMIFXNKKPMA-UHFFFAOYSA-N 1 3 338.323 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c(C)c1 ZINC001180226577 1289451653 /nfs/dbraw/zinc/45/16/53/1289451653.db2.gz BEMWCDKJZLOEOX-HKUYNNGSSA-N 1 3 331.504 2.723 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001180369472 1289515266 /nfs/dbraw/zinc/51/52/66/1289515266.db2.gz HTOIVFQUSVKPHS-UHFFFAOYSA-N 1 3 325.419 2.545 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCOC ZINC001180372536 1289516677 /nfs/dbraw/zinc/51/66/77/1289516677.db2.gz AHNBQXFMDIOANV-SFHVURJKSA-N 1 3 341.540 2.554 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001166004311 1312717462 /nfs/dbraw/zinc/71/74/62/1312717462.db2.gz KIOGGVZOSVBHIE-MRXNPFEDSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCCCOc1ccccc1)N(C)C ZINC001166010224 1312717800 /nfs/dbraw/zinc/71/78/00/1312717800.db2.gz LUNRVUVTTFJGMG-LJQANCHMSA-N 1 3 349.519 2.528 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001166010880 1312717828 /nfs/dbraw/zinc/71/78/28/1312717828.db2.gz SZJJBBQFESFYCJ-OXQOHEQNSA-N 1 3 345.531 2.918 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001166010868 1312718041 /nfs/dbraw/zinc/71/80/41/1312718041.db2.gz SIVUYHPMUIOESG-RTBURBONSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000873190160 1289631130 /nfs/dbraw/zinc/63/11/30/1289631130.db2.gz WMDMGMKDNATQSN-HMXCVIKNSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000873190160 1289631138 /nfs/dbraw/zinc/63/11/38/1289631138.db2.gz WMDMGMKDNATQSN-HMXCVIKNSA-N 1 3 345.531 2.740 20 0 EFADHO COc1ccc(OCCN(C)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873201795 1289638809 /nfs/dbraw/zinc/63/88/09/1289638809.db2.gz XGBMGSDOVZWBSF-UHFFFAOYSA-N 1 3 332.469 2.913 20 0 EFADHO c1c(CN2CCC(OC[C@H]3CCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000873204947 1289641611 /nfs/dbraw/zinc/64/16/11/1289641611.db2.gz JPXBFARDLRBIEL-MRXNPFEDSA-N 1 3 336.501 2.554 20 0 EFADHO OCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000873204760 1289641706 /nfs/dbraw/zinc/64/17/06/1289641706.db2.gz GMHRGFYDCWUYER-GOSISDBHSA-N 1 3 328.481 2.876 20 0 EFADHO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000873206737 1289642827 /nfs/dbraw/zinc/64/28/27/1289642827.db2.gz LBOADQHOWVHSMD-CQSZACIVSA-N 1 3 336.501 2.805 20 0 EFADHO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000873206737 1289642836 /nfs/dbraw/zinc/64/28/36/1289642836.db2.gz LBOADQHOWVHSMD-CQSZACIVSA-N 1 3 336.501 2.805 20 0 EFADHO COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206737 1289642846 /nfs/dbraw/zinc/64/28/46/1289642846.db2.gz LBOADQHOWVHSMD-CQSZACIVSA-N 1 3 336.501 2.805 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)C2)c1 ZINC001016329879 1312724604 /nfs/dbraw/zinc/72/46/04/1312724604.db2.gz COLUGHGLVHGJBQ-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)c1 ZINC001016329879 1312724609 /nfs/dbraw/zinc/72/46/09/1312724609.db2.gz COLUGHGLVHGJBQ-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO COC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873291144 1289705632 /nfs/dbraw/zinc/70/56/32/1289705632.db2.gz DPTMGJLCVTWWCS-IAGOWNOFSA-N 1 3 338.879 2.776 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000873297665 1289710938 /nfs/dbraw/zinc/71/09/38/1289710938.db2.gz YWCHXNNUTQOKLK-PXAZEXFGSA-N 1 3 333.863 2.756 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181441508 1289806857 /nfs/dbraw/zinc/80/68/57/1289806857.db2.gz PUQXMTAWIFKELX-YVWKXTFCSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181755277 1289929794 /nfs/dbraw/zinc/92/97/94/1289929794.db2.gz LUHQBXGPUOMPSJ-OZOXKJRCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181754904 1289929767 /nfs/dbraw/zinc/92/97/67/1289929767.db2.gz HUFHQUKWSZPNNL-MOXGXCLJSA-N 1 3 335.536 2.591 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736805 1289938370 /nfs/dbraw/zinc/93/83/70/1289938370.db2.gz XQYNVSBDHSPEGP-LDBCMITESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736665 1289938950 /nfs/dbraw/zinc/93/89/50/1289938950.db2.gz SCKOLVATVBZAFN-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001181884192 1289988524 /nfs/dbraw/zinc/98/85/24/1289988524.db2.gz DEPZRTVQSRURNG-YVWKXTFCSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001181884112 1289989041 /nfs/dbraw/zinc/98/90/41/1289989041.db2.gz BLHGNKAWKQFSEX-YFVAEKQCSA-N 1 3 345.531 2.909 20 0 EFADHO Cn1c2ccccc2c(Cl)c(CN2CCC(C[NH+](C)C)CC2)c1=O ZINC001232642948 1312750351 /nfs/dbraw/zinc/75/03/51/1312750351.db2.gz YTMMGUDOKCIPDW-UHFFFAOYSA-N 1 3 347.890 2.966 20 0 EFADHO Cc1cc(CN2CC[C@]3(C2)CCCN(c2cc[nH+]cc2)C3)n(C)n1 ZINC001277696079 1312753611 /nfs/dbraw/zinc/75/36/11/1312753611.db2.gz HTNOWHJCDQOQRC-IBGZPJMESA-N 1 3 325.460 2.616 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516317 1290212337 /nfs/dbraw/zinc/21/23/37/1290212337.db2.gz FMWOSMMWIXLPIM-YWTNHNAXSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623374 1290226232 /nfs/dbraw/zinc/22/62/32/1290226232.db2.gz LKQVBNXNLCKFDR-JTDSTZFVSA-N 1 3 341.515 2.541 20 0 EFADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623361 1290226848 /nfs/dbraw/zinc/22/68/48/1290226848.db2.gz KBEZFZKDWXNMBM-YLJYHZDGSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001182623480 1290226941 /nfs/dbraw/zinc/22/69/41/1290226941.db2.gz LWAHJJGWJUXNJC-DYESRHJHSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001182637372 1290230279 /nfs/dbraw/zinc/23/02/79/1290230279.db2.gz BLHGNKAWKQFSEX-SLYNCCJLSA-N 1 3 345.531 2.909 20 0 EFADHO CCC(CC)C[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202540404 1290271810 /nfs/dbraw/zinc/27/18/10/1290271810.db2.gz XVUKNEMKFZRKHX-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001182933140 1290281273 /nfs/dbraw/zinc/28/12/73/1290281273.db2.gz JOSDSHAJXSSZQV-YLJYHZDGSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1 ZINC001183517146 1290353858 /nfs/dbraw/zinc/35/38/58/1290353858.db2.gz RDXSLHHTPBUVKX-SJLPKXTDSA-N 1 3 329.504 2.541 20 0 EFADHO Cc1cccc(C[NH2+]C[C@]2(C)CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001183509490 1290357357 /nfs/dbraw/zinc/35/73/57/1290357357.db2.gz IPTQXYACTQTQDC-WIYYLYMNSA-N 1 3 345.531 2.909 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000874829408 1290377530 /nfs/dbraw/zinc/37/75/30/1290377530.db2.gz LNXCYHVNDZKDCZ-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835694 1290380486 /nfs/dbraw/zinc/38/04/86/1290380486.db2.gz AUDMSIAJFURPSV-OALUTQOASA-N 1 3 336.439 2.556 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835694 1290380496 /nfs/dbraw/zinc/38/04/96/1290380496.db2.gz AUDMSIAJFURPSV-OALUTQOASA-N 1 3 336.439 2.556 20 0 EFADHO c1ccc2c(CN3C[C@H]4CC[C@@H](C3)N4C3CC[NH2+]CC3)nsc2c1 ZINC000903506221 1312785451 /nfs/dbraw/zinc/78/54/51/1312785451.db2.gz PJNVVINVYCKWFO-IYBDPMFKSA-N 1 3 342.512 2.697 20 0 EFADHO c1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)nsc2c1 ZINC000903506221 1312785453 /nfs/dbraw/zinc/78/54/53/1312785453.db2.gz PJNVVINVYCKWFO-IYBDPMFKSA-N 1 3 342.512 2.697 20 0 EFADHO c1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)nsc2c1 ZINC000903506221 1312785454 /nfs/dbraw/zinc/78/54/54/1312785454.db2.gz PJNVVINVYCKWFO-IYBDPMFKSA-N 1 3 342.512 2.697 20 0 EFADHO Fc1c(Cl)cccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506896 1312786044 /nfs/dbraw/zinc/78/60/44/1312786044.db2.gz FDOVQFGXLRYQRN-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1c(Cl)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506896 1312786047 /nfs/dbraw/zinc/78/60/47/1312786047.db2.gz FDOVQFGXLRYQRN-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1c(Cl)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506896 1312786050 /nfs/dbraw/zinc/78/60/50/1312786050.db2.gz FDOVQFGXLRYQRN-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO [NH3+]Cc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000825795303 1290537202 /nfs/dbraw/zinc/53/72/02/1290537202.db2.gz JOOXKDHYJKCCGK-INIZCTEOSA-N 1 3 329.469 2.774 20 0 EFADHO C[C@@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903510961 1312792659 /nfs/dbraw/zinc/79/26/59/1312792659.db2.gz VPURMTUQUGSAQE-RRQGHBQHSA-N 1 3 335.442 2.926 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]C/C=C\Cl ZINC001185168053 1290606832 /nfs/dbraw/zinc/60/68/32/1290606832.db2.gz FTSJYKTUXDQPMM-HTEAGGNKSA-N 1 3 341.927 2.545 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001037156193 1290607265 /nfs/dbraw/zinc/60/72/65/1290607265.db2.gz DFGZQPOLHAOVPH-SJORKVTESA-N 1 3 330.476 2.636 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185171843 1290608597 /nfs/dbraw/zinc/60/85/97/1290608597.db2.gz ZRUACOIJXNGUTN-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1Cl ZINC001185212790 1290620334 /nfs/dbraw/zinc/62/03/34/1290620334.db2.gz DCIRDMZRLWTDPX-HUUCEWRRSA-N 1 3 349.906 2.933 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001185347021 1290646601 /nfs/dbraw/zinc/64/66/01/1290646601.db2.gz DWWRGBPPOKENJH-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCF)[C@@H](C)C1 ZINC001185316390 1290646689 /nfs/dbraw/zinc/64/66/89/1290646689.db2.gz FCSFVJVIYPCPCU-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001185347022 1290646701 /nfs/dbraw/zinc/64/67/01/1290646701.db2.gz DWWRGBPPOKENJH-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO C[NH+]1CC2(C1)CCN(Cc1c[nH]c3cc(Br)ncc13)CC2 ZINC001232863832 1312798474 /nfs/dbraw/zinc/79/84/74/1312798474.db2.gz UXJZIQJCSCSAQY-UHFFFAOYSA-N 1 3 349.276 2.853 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001037157929 1290668494 /nfs/dbraw/zinc/66/84/94/1290668494.db2.gz RFXICJKNQBZHHQ-MSOLQXFVSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037158222 1290679240 /nfs/dbraw/zinc/67/92/40/1290679240.db2.gz SFGOCMODBYJXAG-DLBZAZTESA-N 1 3 332.492 2.715 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627648 1312806552 /nfs/dbraw/zinc/80/65/52/1312806552.db2.gz YKTWFJPMHUMLQP-QZTJIDSGSA-N 1 3 331.504 2.945 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001185547513 1290718413 /nfs/dbraw/zinc/71/84/13/1290718413.db2.gz IGOQZMXPJBONSI-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001185547837 1290718791 /nfs/dbraw/zinc/71/87/91/1290718791.db2.gz KAHKDWIMUCFHDN-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626482 1312805758 /nfs/dbraw/zinc/80/57/58/1312805758.db2.gz GVVLLNOKZUWLTG-QGZVFWFLSA-N 1 3 331.504 2.890 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001185676063 1290746916 /nfs/dbraw/zinc/74/69/16/1290746916.db2.gz JIIDDEOUDZTTRQ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166626385 1312805917 /nfs/dbraw/zinc/80/59/17/1312805917.db2.gz FCZUDHPORQHNRJ-GOSISDBHSA-N 1 3 331.504 2.508 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166626213 1312806099 /nfs/dbraw/zinc/80/60/99/1312806099.db2.gz CIODIFODRZOVLJ-GOSISDBHSA-N 1 3 331.504 2.508 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166626386 1312806122 /nfs/dbraw/zinc/80/61/22/1312806122.db2.gz FCZUDHPORQHNRJ-SFHVURJKSA-N 1 3 331.504 2.508 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C[NH2+]CCCF ZINC001185741288 1290755379 /nfs/dbraw/zinc/75/53/79/1290755379.db2.gz IOFWYWUTXWECOQ-QFBILLFUSA-N 1 3 349.494 2.796 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001185707173 1290756378 /nfs/dbraw/zinc/75/63/78/1290756378.db2.gz YBTBZAOOCKOIMN-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC001185749920 1290762538 /nfs/dbraw/zinc/76/25/38/1290762538.db2.gz FPHMKVVNSXKXOJ-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001185752811 1290763818 /nfs/dbraw/zinc/76/38/18/1290763818.db2.gz UXIBOAXOSPDCMS-ICSRJNTNSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cc(F)ccc1F ZINC001166644785 1312809708 /nfs/dbraw/zinc/80/97/08/1312809708.db2.gz HTCHHDDAWRHCAW-UONOGXRCSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001166645004 1312810076 /nfs/dbraw/zinc/81/00/76/1312810076.db2.gz LMGJBRSKYRVIIX-GJZGRUSLSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001166646031 1312810375 /nfs/dbraw/zinc/81/03/75/1312810375.db2.gz XPNNSNFNDJJIES-KBPBESRZSA-N 1 3 339.430 2.606 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001166678919 1312817846 /nfs/dbraw/zinc/81/78/46/1312817846.db2.gz ZGHSCNLJVTXAIA-GOSISDBHSA-N 1 3 345.531 2.823 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001166687271 1312820680 /nfs/dbraw/zinc/82/06/80/1312820680.db2.gz LJIFCFAYAWYFDL-HXUWFJFHSA-N 1 3 349.494 2.803 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC001186451245 1290956001 /nfs/dbraw/zinc/95/60/01/1290956001.db2.gz DKXBDTOWYKYFIY-RHSMWYFYSA-N 1 3 337.895 2.933 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001186488665 1290965001 /nfs/dbraw/zinc/96/50/01/1290965001.db2.gz RADYJGYAABJCEF-KEEQEYLASA-N 1 3 329.488 2.622 20 0 EFADHO CCOC(=O)N1CCC(C)(CN2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000876771166 1291016390 /nfs/dbraw/zinc/01/63/90/1291016390.db2.gz NRUOUJRKMMBBHC-KRWDZBQOSA-N 1 3 339.524 2.909 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186975301 1291065385 /nfs/dbraw/zinc/06/53/85/1291065385.db2.gz KSOVUNSEMZSUSR-PDTSHOSPSA-N 1 3 327.900 2.584 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186975301 1291065394 /nfs/dbraw/zinc/06/53/94/1291065394.db2.gz KSOVUNSEMZSUSR-PDTSHOSPSA-N 1 3 327.900 2.584 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC000876923266 1291073383 /nfs/dbraw/zinc/07/33/83/1291073383.db2.gz BUTOFLRMFKDWDD-UHFFFAOYSA-N 1 3 339.524 2.955 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)CC(C)(C)C ZINC001166744235 1312832952 /nfs/dbraw/zinc/83/29/52/1312832952.db2.gz MTGKIUQPPUJGMR-UHFFFAOYSA-N 1 3 339.911 2.914 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccccc1Cl)CC(C)(C)C ZINC001166744173 1312833006 /nfs/dbraw/zinc/83/30/06/1312833006.db2.gz LALCFPHKBOCJTB-UHFFFAOYSA-N 1 3 339.911 2.914 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc(F)cc(F)c1)CC(C)(C)C ZINC001166744151 1312833037 /nfs/dbraw/zinc/83/30/37/1312833037.db2.gz KDMULWYTGKJOTH-UHFFFAOYSA-N 1 3 341.446 2.539 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2)CC(C)(C)C ZINC001166744230 1312833089 /nfs/dbraw/zinc/83/30/89/1312833089.db2.gz MMZWUNZQUINCJH-UHFFFAOYSA-N 1 3 345.531 2.749 20 0 EFADHO CC(C)c1cccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)n1 ZINC001166744141 1312833162 /nfs/dbraw/zinc/83/31/62/1312833162.db2.gz JMKWCQMRKDEPCT-UHFFFAOYSA-N 1 3 348.535 2.779 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C/C=C/c1ccccc1)CC(C)(C)C ZINC001166744180 1312833298 /nfs/dbraw/zinc/83/32/98/1312833298.db2.gz LFOUWKWGOLWOAY-XYOKQWHBSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1cccc(F)c1 ZINC001166744273 1312833362 /nfs/dbraw/zinc/83/33/62/1312833362.db2.gz OLCUYXGTYJMFFO-OAHLLOKOSA-N 1 3 335.467 2.715 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001166750385 1312834433 /nfs/dbraw/zinc/83/44/33/1312834433.db2.gz FOEBPKWPBOJOSY-HNNXBMFYSA-N 1 3 337.483 2.961 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001187323042 1291144672 /nfs/dbraw/zinc/14/46/72/1291144672.db2.gz VMOXPXNWYPCJQE-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO CCc1ccc(CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001166751919 1312835284 /nfs/dbraw/zinc/83/52/84/1312835284.db2.gz ZSPFJHAYMWKYLZ-UHFFFAOYSA-N 1 3 347.547 2.865 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877408610 1291227542 /nfs/dbraw/zinc/22/75/42/1291227542.db2.gz HESYTVUMBUAYGP-ROUUACIJSA-N 1 3 327.472 2.650 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877443130 1291236762 /nfs/dbraw/zinc/23/67/62/1291236762.db2.gz AXLXKYFBGUGBTA-HKUYNNGSSA-N 1 3 335.536 2.865 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000877450996 1291238494 /nfs/dbraw/zinc/23/84/94/1291238494.db2.gz KALOTTGGBSVYFQ-PMACEKPBSA-N 1 3 341.499 2.537 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877653551 1291311533 /nfs/dbraw/zinc/31/15/33/1291311533.db2.gz MXPIUIGTZNUJAB-HNNXBMFYSA-N 1 3 327.513 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001188139662 1291317214 /nfs/dbraw/zinc/31/72/14/1291317214.db2.gz QURRDNJNELOPIV-JFYHIKNKSA-N 1 3 341.499 2.765 20 0 EFADHO C[NH+]1CCC2(CCN(Cc3ccc(N4CCCC4)nc3)CC2)CC1 ZINC000877684497 1291326560 /nfs/dbraw/zinc/32/65/60/1291326560.db2.gz OXPKIUDEAQIWDA-UHFFFAOYSA-N 1 3 328.504 2.990 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188158259 1291332889 /nfs/dbraw/zinc/33/28/89/1291332889.db2.gz JUNGTHMMARPFGN-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001188158694 1291334162 /nfs/dbraw/zinc/33/41/62/1291334162.db2.gz VBHMTYCBPCHSKP-MJGOQNOKSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001188157993 1291334830 /nfs/dbraw/zinc/33/48/30/1291334830.db2.gz BZTJAKGRJGBVOE-HXUWFJFHSA-N 1 3 339.483 2.871 20 0 EFADHO Cc1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc2cccnc12 ZINC000877746264 1291356922 /nfs/dbraw/zinc/35/69/22/1291356922.db2.gz KHHRFUJKSRBDTK-UHFFFAOYSA-N 1 3 338.499 2.755 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001166857378 1312854934 /nfs/dbraw/zinc/85/49/34/1312854934.db2.gz DQANMSBGUVYSFL-SJORKVTESA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001166858305 1312855315 /nfs/dbraw/zinc/85/53/15/1312855315.db2.gz OUJXYJRDLWBBAM-HNNXBMFYSA-N 1 3 327.419 2.560 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001166865189 1312856327 /nfs/dbraw/zinc/85/63/27/1312856327.db2.gz CKGFESRSUGIPRR-HNNXBMFYSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001166866376 1312856514 /nfs/dbraw/zinc/85/65/14/1312856514.db2.gz MMHVWAPNDMLBJX-INIZCTEOSA-N 1 3 325.884 2.585 20 0 EFADHO c1ccc([C@H](CNc2ccc3c(n2)OCCNC3)[NH+]2CCCC2)cc1 ZINC001166889122 1312861040 /nfs/dbraw/zinc/86/10/40/1312861040.db2.gz NNNQPWHFQQONCJ-SFHVURJKSA-N 1 3 338.455 2.813 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109979 1291571534 /nfs/dbraw/zinc/57/15/34/1291571534.db2.gz HPIKJYNHZSGJEH-FMQYZMKESA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109979 1291571538 /nfs/dbraw/zinc/57/15/38/1291571538.db2.gz HPIKJYNHZSGJEH-FMQYZMKESA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517138 1291697686 /nfs/dbraw/zinc/69/76/86/1291697686.db2.gz KETCGFWMICRURI-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2 ZINC000957517397 1291699547 /nfs/dbraw/zinc/69/95/47/1291699547.db2.gz QJRIGDGLFKHUFG-QXQYKPFFSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517639 1291699623 /nfs/dbraw/zinc/69/96/23/1291699623.db2.gz ZRDUYWCLMNUKPW-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001233191141 1312876840 /nfs/dbraw/zinc/87/68/40/1312876840.db2.gz MWJVIPNLAAEOCM-IYBDPMFKSA-N 1 3 329.469 2.721 20 0 EFADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001233191141 1312876843 /nfs/dbraw/zinc/87/68/43/1312876843.db2.gz MWJVIPNLAAEOCM-IYBDPMFKSA-N 1 3 329.469 2.721 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000878712254 1291765226 /nfs/dbraw/zinc/76/52/26/1291765226.db2.gz WZWKJLFVIBFEPT-WOJBJXKFSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016611226 1312881197 /nfs/dbraw/zinc/88/11/97/1312881197.db2.gz CNZSULZOYHROHJ-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049463774 1312888242 /nfs/dbraw/zinc/88/82/42/1312888242.db2.gz JDYBBQPCEZFATR-GUDVDZBRSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049463774 1312888244 /nfs/dbraw/zinc/88/82/44/1312888244.db2.gz JDYBBQPCEZFATR-GUDVDZBRSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049465151 1312889788 /nfs/dbraw/zinc/88/97/88/1312889788.db2.gz QYEHBDNMJMZUMY-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049465151 1312889791 /nfs/dbraw/zinc/88/97/91/1312889791.db2.gz QYEHBDNMJMZUMY-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO NC(=O)[C@@H](F)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000879041419 1291940453 /nfs/dbraw/zinc/94/04/53/1291940453.db2.gz PBRMMTZFKXXYLJ-IBGZPJMESA-N 1 3 347.478 2.708 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644881 1291954687 /nfs/dbraw/zinc/95/46/87/1291954687.db2.gz MQBCOGXEVIJYMO-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644952 1291954701 /nfs/dbraw/zinc/95/47/01/1291954701.db2.gz PLJJEJXUKDCDRT-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957644831 1291954758 /nfs/dbraw/zinc/95/47/58/1291954758.db2.gz JTMQYIRVJMVQAB-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248114 1292041186 /nfs/dbraw/zinc/04/11/86/1292041186.db2.gz ISACGVSEVLCWIT-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248116 1292041265 /nfs/dbraw/zinc/04/12/65/1292041265.db2.gz ISACGVSEVLCWIT-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248919 1292043219 /nfs/dbraw/zinc/04/32/19/1292043219.db2.gz YWAHECIPKKLWFF-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF)N1CCCCC1 ZINC001049477476 1312903915 /nfs/dbraw/zinc/90/39/15/1312903915.db2.gz GYEHNNRAAYNASW-SJORKVTESA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF)N1CCCCC1 ZINC001049477476 1312903919 /nfs/dbraw/zinc/90/39/19/1312903919.db2.gz GYEHNNRAAYNASW-SJORKVTESA-N 1 3 339.499 2.676 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)cc1CN1CCCCC1 ZINC000775374894 1292136400 /nfs/dbraw/zinc/13/64/00/1292136400.db2.gz GAUHWPJLICKBLV-LPHOPBHVSA-N 1 3 348.487 2.747 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016652557 1312905147 /nfs/dbraw/zinc/90/51/47/1312905147.db2.gz UFVVNLUCIDSPCZ-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C[C@@H](C)O1 ZINC000775380445 1292161756 /nfs/dbraw/zinc/16/17/56/1292161756.db2.gz IQDXGRVSBZQJIF-MTSZKFMLSA-N 1 3 344.590 2.845 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001190445571 1292164484 /nfs/dbraw/zinc/16/44/84/1292164484.db2.gz YVGXVMNCUBSQIC-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001190445571 1292164489 /nfs/dbraw/zinc/16/44/89/1292164489.db2.gz YVGXVMNCUBSQIC-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001190445572 1292165022 /nfs/dbraw/zinc/16/50/22/1292165022.db2.gz YVGXVMNCUBSQIC-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001190445572 1292165023 /nfs/dbraw/zinc/16/50/23/1292165023.db2.gz YVGXVMNCUBSQIC-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO COc1cccc([C@H]2C[N@H+](CCCCn3ccnc3C)CCN2)c1 ZINC000879525367 1292172378 /nfs/dbraw/zinc/17/23/78/1292172378.db2.gz WSAORPLTPAOLIB-LJQANCHMSA-N 1 3 328.460 2.627 20 0 EFADHO COc1cccc([C@H]2C[N@@H+](CCCCn3ccnc3C)CCN2)c1 ZINC000879525367 1292172380 /nfs/dbraw/zinc/17/23/80/1292172380.db2.gz WSAORPLTPAOLIB-LJQANCHMSA-N 1 3 328.460 2.627 20 0 EFADHO COc1cccc([C@H]2CN(CCCCn3ccnc3C)CC[NH2+]2)c1 ZINC000879525367 1292172383 /nfs/dbraw/zinc/17/23/83/1292172383.db2.gz WSAORPLTPAOLIB-LJQANCHMSA-N 1 3 328.460 2.627 20 0 EFADHO CC[C@H](OCCN1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000879594339 1292200340 /nfs/dbraw/zinc/20/03/40/1292200340.db2.gz FTGWQGMEMFFAJW-NRFANRHFSA-N 1 3 345.531 2.866 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001190776580 1292309493 /nfs/dbraw/zinc/30/94/93/1292309493.db2.gz PVCUIXPJSXNEFC-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001190776580 1292309502 /nfs/dbraw/zinc/30/95/02/1292309502.db2.gz PVCUIXPJSXNEFC-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001190890630 1292367259 /nfs/dbraw/zinc/36/72/59/1292367259.db2.gz VLXICUHXPWGVDP-FCJQBXHQSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001190890630 1292367263 /nfs/dbraw/zinc/36/72/63/1292367263.db2.gz VLXICUHXPWGVDP-FCJQBXHQSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2C)C1)N(C)C ZINC001190897991 1292370179 /nfs/dbraw/zinc/37/01/79/1292370179.db2.gz AKHSFTBYMQHMNG-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2C)C1)N(C)C ZINC001190897991 1292370190 /nfs/dbraw/zinc/37/01/90/1292370190.db2.gz AKHSFTBYMQHMNG-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C1)N(C)C ZINC001190897990 1292370986 /nfs/dbraw/zinc/37/09/86/1292370986.db2.gz AKFWDSZWEHCJFK-RTBURBONSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C1)N(C)C ZINC001190897990 1292370992 /nfs/dbraw/zinc/37/09/92/1292370992.db2.gz AKFWDSZWEHCJFK-RTBURBONSA-N 1 3 349.494 2.631 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001191029213 1292432104 /nfs/dbraw/zinc/43/21/04/1292432104.db2.gz HQSZTPGHOOIEEB-KRWDZBQOSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001191029213 1292432107 /nfs/dbraw/zinc/43/21/07/1292432107.db2.gz HQSZTPGHOOIEEB-KRWDZBQOSA-N 1 3 349.494 2.897 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191030494 1292432960 /nfs/dbraw/zinc/43/29/60/1292432960.db2.gz UAMRGAOWWUBRIF-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191030494 1292432963 /nfs/dbraw/zinc/43/29/63/1292432963.db2.gz UAMRGAOWWUBRIF-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCc2ccc(C)cc2)C1 ZINC001191029449 1292433860 /nfs/dbraw/zinc/43/38/60/1292433860.db2.gz IORGAVUOASURTL-IBGZPJMESA-N 1 3 345.531 2.801 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001191029449 1292433867 /nfs/dbraw/zinc/43/38/67/1292433867.db2.gz IORGAVUOASURTL-IBGZPJMESA-N 1 3 345.531 2.801 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC001205548435 1292438588 /nfs/dbraw/zinc/43/85/88/1292438588.db2.gz ABXPAUDZXSPMGI-UHFFFAOYSA-N 1 3 337.533 2.807 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542879 1292563770 /nfs/dbraw/zinc/56/37/70/1292563770.db2.gz JJFSZAPAKHQOOA-GOSISDBHSA-N 1 3 335.536 2.997 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203520722 1312944593 /nfs/dbraw/zinc/94/45/93/1312944593.db2.gz HLXVIWBDXZOMQA-STQMWFEESA-N 1 3 348.318 2.664 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203519968 1312944299 /nfs/dbraw/zinc/94/42/99/1312944299.db2.gz BZGRCHIDXXOAKU-ROUUACIJSA-N 1 3 347.547 2.926 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998671 1292735616 /nfs/dbraw/zinc/73/56/16/1292735616.db2.gz PVLMSHLNHVPGSP-JNLAIUADSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008355 1292747772 /nfs/dbraw/zinc/74/77/72/1292747772.db2.gz WHFXUPDFLQWJNU-BQHJZSHBSA-N 1 3 329.488 2.574 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114839947 1292798617 /nfs/dbraw/zinc/79/86/17/1292798617.db2.gz HCIISUSFGIHGMN-RUYXUALKSA-N 1 3 347.547 2.901 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114839947 1292798625 /nfs/dbraw/zinc/79/86/25/1292798625.db2.gz HCIISUSFGIHGMN-RUYXUALKSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001192344835 1292861515 /nfs/dbraw/zinc/86/15/15/1292861515.db2.gz ZPPAWMATGNKYKK-AZUAARDMSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001192344835 1292861531 /nfs/dbraw/zinc/86/15/31/1292861531.db2.gz ZPPAWMATGNKYKK-AZUAARDMSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001192344836 1292863039 /nfs/dbraw/zinc/86/30/39/1292863039.db2.gz ZPPAWMATGNKYKK-ICSRJNTNSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001192344836 1292863053 /nfs/dbraw/zinc/86/30/53/1292863053.db2.gz ZPPAWMATGNKYKK-ICSRJNTNSA-N 1 3 343.515 2.636 20 0 EFADHO C[N@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387597 1292887749 /nfs/dbraw/zinc/88/77/49/1292887749.db2.gz XNALTTLCRPKUCK-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CCCC1CCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001192387597 1292887762 /nfs/dbraw/zinc/88/77/62/1292887762.db2.gz XNALTTLCRPKUCK-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576677 1312961344 /nfs/dbraw/zinc/96/13/44/1312961344.db2.gz HOGYSZVPKWUCIJ-OLZOCXBDSA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576677 1312961347 /nfs/dbraw/zinc/96/13/47/1312961347.db2.gz HOGYSZVPKWUCIJ-OLZOCXBDSA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576676 1312961414 /nfs/dbraw/zinc/96/14/14/1312961414.db2.gz HOGYSZVPKWUCIJ-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576676 1312961418 /nfs/dbraw/zinc/96/14/18/1312961418.db2.gz HOGYSZVPKWUCIJ-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001095903817 1292924072 /nfs/dbraw/zinc/92/40/72/1292924072.db2.gz MZCDGUSONHYZQB-FYQPLNBISA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001095903817 1292924080 /nfs/dbraw/zinc/92/40/80/1292924080.db2.gz MZCDGUSONHYZQB-FYQPLNBISA-N 1 3 345.531 2.915 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761956 1312964314 /nfs/dbraw/zinc/96/43/14/1312964314.db2.gz SXVPHONZFBUMLI-KRWDZBQOSA-N 1 3 333.520 2.798 20 0 EFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cc(C)c(C)s3)CC[C@@H]2C1 ZINC001233675994 1312968724 /nfs/dbraw/zinc/96/87/24/1312968724.db2.gz WOZIEMIAOWWWKK-SJLPKXTDSA-N 1 3 338.517 2.534 20 0 EFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cc(C)c(C)s3)CC[C@@H]2C1 ZINC001233675994 1312968727 /nfs/dbraw/zinc/96/87/27/1312968727.db2.gz WOZIEMIAOWWWKK-SJLPKXTDSA-N 1 3 338.517 2.534 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848771 1292999702 /nfs/dbraw/zinc/99/97/02/1292999702.db2.gz FRVNVGOFVHZVRF-LBKNJMOBSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848771 1292999716 /nfs/dbraw/zinc/99/97/16/1292999716.db2.gz FRVNVGOFVHZVRF-LBKNJMOBSA-N 1 3 343.515 2.772 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114849602 1293022021 /nfs/dbraw/zinc/02/20/21/1293022021.db2.gz TZJXDHMGNPRZBV-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114849602 1293022033 /nfs/dbraw/zinc/02/20/33/1293022033.db2.gz TZJXDHMGNPRZBV-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049533414 1312975303 /nfs/dbraw/zinc/97/53/03/1312975303.db2.gz OEOKBMPWJPNRPZ-AABGKKOBSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049533414 1312975307 /nfs/dbraw/zinc/97/53/07/1312975307.db2.gz OEOKBMPWJPNRPZ-AABGKKOBSA-N 1 3 343.515 2.838 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001192946704 1293106287 /nfs/dbraw/zinc/10/62/87/1293106287.db2.gz DWWFVLLYYFGGEK-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001192946704 1293106291 /nfs/dbraw/zinc/10/62/91/1293106291.db2.gz DWWFVLLYYFGGEK-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001192946707 1293106918 /nfs/dbraw/zinc/10/69/18/1293106918.db2.gz DXRCGVBQHOQAHZ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001192946707 1293106925 /nfs/dbraw/zinc/10/69/25/1293106925.db2.gz DXRCGVBQHOQAHZ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001192947352 1293106941 /nfs/dbraw/zinc/10/69/41/1293106941.db2.gz HYZZHZOOJTWSEE-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001192947352 1293106945 /nfs/dbraw/zinc/10/69/45/1293106945.db2.gz HYZZHZOOJTWSEE-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C1 ZINC001192947545 1293106958 /nfs/dbraw/zinc/10/69/58/1293106958.db2.gz JQITZSLPDHAYOV-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C1 ZINC001192947545 1293106965 /nfs/dbraw/zinc/10/69/65/1293106965.db2.gz JQITZSLPDHAYOV-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001192946702 1293107283 /nfs/dbraw/zinc/10/72/83/1293107283.db2.gz DWWFVLLYYFGGEK-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001192946702 1293107285 /nfs/dbraw/zinc/10/72/85/1293107285.db2.gz DWWFVLLYYFGGEK-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001192970725 1293127055 /nfs/dbraw/zinc/12/70/55/1293127055.db2.gz YEFGFEFCCZCAKA-GOSISDBHSA-N 1 3 342.487 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001192970725 1293127059 /nfs/dbraw/zinc/12/70/59/1293127059.db2.gz YEFGFEFCCZCAKA-GOSISDBHSA-N 1 3 342.487 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001192969633 1293127637 /nfs/dbraw/zinc/12/76/37/1293127637.db2.gz LOGQMMRELHGTFK-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001192969633 1293127645 /nfs/dbraw/zinc/12/76/45/1293127645.db2.gz LOGQMMRELHGTFK-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001192969635 1293128069 /nfs/dbraw/zinc/12/80/69/1293128069.db2.gz LOGQMMRELHGTFK-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001192969635 1293128073 /nfs/dbraw/zinc/12/80/73/1293128073.db2.gz LOGQMMRELHGTFK-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203642179 1312979118 /nfs/dbraw/zinc/97/91/18/1312979118.db2.gz WSEIGWYREAZPPQ-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203642294 1312979129 /nfs/dbraw/zinc/97/91/29/1312979129.db2.gz XZSHZHLMSCZNGN-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203650681 1312981314 /nfs/dbraw/zinc/98/13/14/1312981314.db2.gz JEXAKRXRXOZZRC-SJORKVTESA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203650988 1312981380 /nfs/dbraw/zinc/98/13/80/1312981380.db2.gz KRYCYHNUXKIDFO-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203652305 1312981795 /nfs/dbraw/zinc/98/17/95/1312981795.db2.gz SYTQWLJIXNKXNN-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203652400 1312981901 /nfs/dbraw/zinc/98/19/01/1312981901.db2.gz UHJFXDVILBFSJK-MSOLQXFVSA-N 1 3 329.488 2.545 20 0 EFADHO Cc1ncsc1CN1CCC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001276415134 1312982383 /nfs/dbraw/zinc/98/23/83/1312982383.db2.gz BXBNSVDLARISEB-UHFFFAOYSA-N 1 3 335.517 2.776 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203659423 1312983095 /nfs/dbraw/zinc/98/30/95/1312983095.db2.gz HLNUCRFSNRPTQD-QZTJIDSGSA-N 1 3 344.503 2.858 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC001193279270 1293233183 /nfs/dbraw/zinc/23/31/83/1293233183.db2.gz NOEUOHQWMINVEJ-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(C)sc2C)C1 ZINC001193279270 1293233191 /nfs/dbraw/zinc/23/31/91/1293233191.db2.gz NOEUOHQWMINVEJ-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cccc4cccnc43)CC2)CC1 ZINC001137179019 1293262259 /nfs/dbraw/zinc/26/22/59/1293262259.db2.gz GWUGYDYBFHFENT-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CN(C)[C@](C)(C(=O)N1CC[C@@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193408033 1293282827 /nfs/dbraw/zinc/28/28/27/1293282827.db2.gz BYCIYJNNLJYGOV-JWIPOZPYSA-N 1 3 349.906 2.749 20 0 EFADHO CN(C/C=C/Cl)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408033 1293282830 /nfs/dbraw/zinc/28/28/30/1293282830.db2.gz BYCIYJNNLJYGOV-JWIPOZPYSA-N 1 3 349.906 2.749 20 0 EFADHO CN(CCc1ccccc1F)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571456 1293349562 /nfs/dbraw/zinc/34/95/62/1293349562.db2.gz RVTLGQYOZSVVMK-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC2CCCC2)CC3)C1 ZINC001016818766 1312995855 /nfs/dbraw/zinc/99/58/55/1312995855.db2.gz GKPQBIJGVWVPCT-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC2CCCC2)CC3)C1 ZINC001016818769 1312996189 /nfs/dbraw/zinc/99/61/89/1312996189.db2.gz GKPQBIJGVWVPCT-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001193620855 1293368728 /nfs/dbraw/zinc/36/87/28/1293368728.db2.gz CBAVOXANBHUAHJ-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001193620855 1293368738 /nfs/dbraw/zinc/36/87/38/1293368738.db2.gz CBAVOXANBHUAHJ-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001193621543 1293371213 /nfs/dbraw/zinc/37/12/13/1293371213.db2.gz HALAWBHQUBUPRT-SCEWNMGZSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001193621543 1293371224 /nfs/dbraw/zinc/37/12/24/1293371224.db2.gz HALAWBHQUBUPRT-SCEWNMGZSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001193630304 1293376110 /nfs/dbraw/zinc/37/61/10/1293376110.db2.gz HFPSBYYDZKDMNT-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001193630304 1293376116 /nfs/dbraw/zinc/37/61/16/1293376116.db2.gz HFPSBYYDZKDMNT-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001193641715 1293381386 /nfs/dbraw/zinc/38/13/86/1293381386.db2.gz JAYLSQDRACPQTO-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001193641715 1293381394 /nfs/dbraw/zinc/38/13/94/1293381394.db2.gz JAYLSQDRACPQTO-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001193643008 1293382536 /nfs/dbraw/zinc/38/25/36/1293382536.db2.gz PKMKDPCGMSLMSW-HKUYNNGSSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001193643008 1293382544 /nfs/dbraw/zinc/38/25/44/1293382544.db2.gz PKMKDPCGMSLMSW-HKUYNNGSSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001193641716 1293383105 /nfs/dbraw/zinc/38/31/05/1293383105.db2.gz JAYLSQDRACPQTO-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001193641716 1293383113 /nfs/dbraw/zinc/38/31/13/1293383113.db2.gz JAYLSQDRACPQTO-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001193643577 1293383687 /nfs/dbraw/zinc/38/36/87/1293383687.db2.gz XCGTUZGRKHQVFH-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001193643577 1293383696 /nfs/dbraw/zinc/38/36/96/1293383696.db2.gz XCGTUZGRKHQVFH-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2CC)C1 ZINC001193643813 1293383918 /nfs/dbraw/zinc/38/39/18/1293383918.db2.gz ZSUSRJZEGVKGIX-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2CC)C1 ZINC001193643813 1293383923 /nfs/dbraw/zinc/38/39/23/1293383923.db2.gz ZSUSRJZEGVKGIX-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(C)c2)C1 ZINC001193643093 1293384080 /nfs/dbraw/zinc/38/40/80/1293384080.db2.gz RFXRYPIFAHQQDV-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(C)c2)C1 ZINC001193643093 1293384090 /nfs/dbraw/zinc/38/40/90/1293384090.db2.gz RFXRYPIFAHQQDV-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC001193601035 1293387601 /nfs/dbraw/zinc/38/76/01/1293387601.db2.gz QUVPJSDNTZSADS-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCc2ccccc2F)C1 ZINC001193601035 1293387609 /nfs/dbraw/zinc/38/76/09/1293387609.db2.gz QUVPJSDNTZSADS-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193600879 1293388013 /nfs/dbraw/zinc/38/80/13/1293388013.db2.gz NUMDAPBHRVQWNE-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193600879 1293388022 /nfs/dbraw/zinc/38/80/22/1293388022.db2.gz NUMDAPBHRVQWNE-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193601091 1293388355 /nfs/dbraw/zinc/38/83/55/1293388355.db2.gz RVWRRJMCJBODRZ-NHHWLVAYSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193601091 1293388359 /nfs/dbraw/zinc/38/83/59/1293388359.db2.gz RVWRRJMCJBODRZ-NHHWLVAYSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001016825264 1312999314 /nfs/dbraw/zinc/99/93/14/1312999314.db2.gz GZVDIAYQKOBVBV-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCCC2CCC2)CC3)C1 ZINC001016828100 1313000529 /nfs/dbraw/zinc/00/05/29/1313000529.db2.gz CLDIXSXDTBJXBH-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3oc(=O)oc3c2)[C@H](C)C1 ZINC000883003441 1293424132 /nfs/dbraw/zinc/42/41/32/1293424132.db2.gz PVRIDWHKZBWDQP-ZBFHGGJFSA-N 1 3 348.443 2.613 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC001016828019 1313000707 /nfs/dbraw/zinc/00/07/07/1313000707.db2.gz BUAKUVGDBZABSF-DOTOQJQBSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016829218 1313001065 /nfs/dbraw/zinc/00/10/65/1313001065.db2.gz LKGSGWLVRKXDLJ-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001016830822 1313001760 /nfs/dbraw/zinc/00/17/60/1313001760.db2.gz WLTUGUNCANSCGX-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO COc1cc(C)c(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1C ZINC001203753971 1313006476 /nfs/dbraw/zinc/00/64/76/1313006476.db2.gz IDFSLJDMDQGHKV-UHFFFAOYSA-N 1 3 331.504 2.524 20 0 EFADHO CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229438 1293549882 /nfs/dbraw/zinc/54/98/82/1293549882.db2.gz XIVKHFMYXSNLCN-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229438 1293549884 /nfs/dbraw/zinc/54/98/84/1293549884.db2.gz XIVKHFMYXSNLCN-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001194284780 1293586418 /nfs/dbraw/zinc/58/64/18/1293586418.db2.gz NQWGNYYKCAJRSB-AWEZNQCLSA-N 1 3 337.430 2.592 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001194284780 1293586424 /nfs/dbraw/zinc/58/64/24/1293586424.db2.gz NQWGNYYKCAJRSB-AWEZNQCLSA-N 1 3 337.430 2.592 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194283433 1293586291 /nfs/dbraw/zinc/58/62/91/1293586291.db2.gz AQDUZYDKQJYZRT-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194283433 1293586299 /nfs/dbraw/zinc/58/62/99/1293586299.db2.gz AQDUZYDKQJYZRT-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001194285863 1293588802 /nfs/dbraw/zinc/58/88/02/1293588802.db2.gz SYUNVQNYKUIETB-UFUQCMIWSA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001194285863 1293588807 /nfs/dbraw/zinc/58/88/07/1293588807.db2.gz SYUNVQNYKUIETB-UFUQCMIWSA-N 1 3 329.488 2.573 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293007 1293589805 /nfs/dbraw/zinc/58/98/05/1293589805.db2.gz CYSOFPZTWVJTFE-FQEVSTJZSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293007 1293589810 /nfs/dbraw/zinc/58/98/10/1293589810.db2.gz CYSOFPZTWVJTFE-FQEVSTJZSA-N 1 3 345.531 2.664 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001194293415 1293590306 /nfs/dbraw/zinc/59/03/06/1293590306.db2.gz HKTSTMFHABTPBX-IBGZPJMESA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001194293415 1293590309 /nfs/dbraw/zinc/59/03/09/1293590309.db2.gz HKTSTMFHABTPBX-IBGZPJMESA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001194292546 1293590347 /nfs/dbraw/zinc/59/03/47/1293590347.db2.gz ADDVWJMZSRKDGA-QAPCUYQASA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001194292546 1293590351 /nfs/dbraw/zinc/59/03/51/1293590351.db2.gz ADDVWJMZSRKDGA-QAPCUYQASA-N 1 3 335.467 2.760 20 0 EFADHO COc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292717 1293590544 /nfs/dbraw/zinc/59/05/44/1293590544.db2.gz BUIAMIIOALVWAO-SJLPKXTDSA-N 1 3 347.503 2.629 20 0 EFADHO COc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292717 1293590551 /nfs/dbraw/zinc/59/05/51/1293590551.db2.gz BUIAMIIOALVWAO-SJLPKXTDSA-N 1 3 347.503 2.629 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001194292603 1293590873 /nfs/dbraw/zinc/59/08/73/1293590873.db2.gz AWROTYSCRBRILW-MAUKXSAKSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001194292603 1293590875 /nfs/dbraw/zinc/59/08/75/1293590875.db2.gz AWROTYSCRBRILW-MAUKXSAKSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001194295061 1293591594 /nfs/dbraw/zinc/59/15/94/1293591594.db2.gz OLHWZDIGRNTOKO-FQEVSTJZSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001194295061 1293591602 /nfs/dbraw/zinc/59/16/02/1293591602.db2.gz OLHWZDIGRNTOKO-FQEVSTJZSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001194294087 1293592618 /nfs/dbraw/zinc/59/26/18/1293592618.db2.gz JSUNRABXECAECN-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001194294087 1293592631 /nfs/dbraw/zinc/59/26/31/1293592631.db2.gz JSUNRABXECAECN-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016859764 1313014333 /nfs/dbraw/zinc/01/43/33/1313014333.db2.gz CIAIQMFBOSXAQD-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001016861987 1313015779 /nfs/dbraw/zinc/01/57/79/1313015779.db2.gz QSIMCLDXMVZHME-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001016861988 1313015861 /nfs/dbraw/zinc/01/58/61/1313015861.db2.gz QSIMCLDXMVZHME-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203791350 1313016221 /nfs/dbraw/zinc/01/62/21/1313016221.db2.gz HRIIBCRBRHYQGT-ZWKOTPCHSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203790926 1313016342 /nfs/dbraw/zinc/01/63/42/1313016342.db2.gz AJJSFTBOPRHQTE-ZWKOTPCHSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203794136 1313017556 /nfs/dbraw/zinc/01/75/56/1313017556.db2.gz UZTWAMCPINKWIL-HZPDHXFCSA-N 1 3 335.517 2.605 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC001152146889 1293724114 /nfs/dbraw/zinc/72/41/14/1293724114.db2.gz LPBFUDALRXCMCE-ROUUACIJSA-N 1 3 331.504 2.506 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000884218707 1294054259 /nfs/dbraw/zinc/05/42/59/1294054259.db2.gz WMUVEIDUTWGHTP-MNEFBYGVSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000884218707 1294054261 /nfs/dbraw/zinc/05/42/61/1294054261.db2.gz WMUVEIDUTWGHTP-MNEFBYGVSA-N 1 3 329.488 2.625 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866069 1294064263 /nfs/dbraw/zinc/06/42/63/1294064263.db2.gz UQOHISIXCCDBNJ-DUFJLWIISA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195866069 1294064265 /nfs/dbraw/zinc/06/42/65/1294064265.db2.gz UQOHISIXCCDBNJ-DUFJLWIISA-N 1 3 333.520 2.751 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203925838 1313048582 /nfs/dbraw/zinc/04/85/82/1313048582.db2.gz VZYOYWCISHYIOV-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001203932493 1313050459 /nfs/dbraw/zinc/05/04/59/1313050459.db2.gz HLMLGKZAEUREPV-HNNXBMFYSA-N 1 3 335.467 2.808 20 0 EFADHO C[NH2+]CCOc1cccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1 ZINC000884316117 1294093737 /nfs/dbraw/zinc/09/37/37/1294093737.db2.gz JYYKKGXOWCCZGQ-UHFFFAOYSA-N 1 3 341.455 2.907 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000884324509 1294097459 /nfs/dbraw/zinc/09/74/59/1294097459.db2.gz RVZQPOPLKCHJCR-IBGZPJMESA-N 1 3 346.519 2.790 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000884330807 1294099659 /nfs/dbraw/zinc/09/96/59/1294099659.db2.gz XWKBCBHEUDUHAL-RBUKOAKNSA-N 1 3 347.503 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016949989 1313055837 /nfs/dbraw/zinc/05/58/37/1313055837.db2.gz IAUYVHMCGVHSPM-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196274716 1294188814 /nfs/dbraw/zinc/18/88/14/1294188814.db2.gz AQYGSYNVVUZWMV-FPXQDXNASA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196274716 1294188817 /nfs/dbraw/zinc/18/88/17/1294188817.db2.gz AQYGSYNVVUZWMV-FPXQDXNASA-N 1 3 333.520 2.894 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001196340242 1294202626 /nfs/dbraw/zinc/20/26/26/1294202626.db2.gz GGGJZBOAXKXTPK-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN(CCc2ccc(C)cc2)CC1 ZINC001196340242 1294202630 /nfs/dbraw/zinc/20/26/30/1294202630.db2.gz GGGJZBOAXKXTPK-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001196340194 1294203678 /nfs/dbraw/zinc/20/36/78/1294203678.db2.gz FROSJJFKCGXJIF-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001196340194 1294203685 /nfs/dbraw/zinc/20/36/85/1294203685.db2.gz FROSJJFKCGXJIF-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388257 1294221018 /nfs/dbraw/zinc/22/10/18/1294221018.db2.gz GCLFZUJUBMWMFW-SFFCAUCYSA-N 1 3 335.536 2.997 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388257 1294221024 /nfs/dbraw/zinc/22/10/24/1294221024.db2.gz GCLFZUJUBMWMFW-SFFCAUCYSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccc(CC[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001273722022 1294253534 /nfs/dbraw/zinc/25/35/34/1294253534.db2.gz ZQQVHEGASQNGEF-NRFANRHFSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001273722022 1294253538 /nfs/dbraw/zinc/25/35/38/1294253538.db2.gz ZQQVHEGASQNGEF-NRFANRHFSA-N 1 3 343.515 2.556 20 0 EFADHO CCCCCCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196642069 1294303253 /nfs/dbraw/zinc/30/32/53/1294303253.db2.gz ZBIWPTARYXWRGE-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655960 1294322839 /nfs/dbraw/zinc/32/28/39/1294322839.db2.gz MCZOLASPBPIRSM-MRXNPFEDSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC23CC[NH+](CCCF)CC3)c1 ZINC001016981542 1313070708 /nfs/dbraw/zinc/07/07/08/1313070708.db2.gz DMNVCJGDGNVUHY-GOSISDBHSA-N 1 3 347.478 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001016983504 1313071606 /nfs/dbraw/zinc/07/16/06/1313071606.db2.gz UFFDPWZLKRSRFN-SFHVURJKSA-N 1 3 347.478 2.692 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196970752 1294414541 /nfs/dbraw/zinc/41/45/41/1294414541.db2.gz UXVBHHSBKZJACK-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942697 1294418852 /nfs/dbraw/zinc/41/88/52/1294418852.db2.gz HAODSNVKGXIOSD-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943384 1294419039 /nfs/dbraw/zinc/41/90/39/1294419039.db2.gz OTVDBEWINSNTNY-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049420 1294439634 /nfs/dbraw/zinc/43/96/34/1294439634.db2.gz PGZWDIYJSVZHAW-KRWDZBQOSA-N 1 3 343.515 2.722 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049082 1294439852 /nfs/dbraw/zinc/43/98/52/1294439852.db2.gz OCTIENBJYFLOCH-ZWKOTPCHSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049082 1294439853 /nfs/dbraw/zinc/43/98/53/1294439853.db2.gz OCTIENBJYFLOCH-ZWKOTPCHSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001197049062 1294440128 /nfs/dbraw/zinc/44/01/28/1294440128.db2.gz MOBFBGIGCIYZSF-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001197049062 1294440129 /nfs/dbraw/zinc/44/01/29/1294440129.db2.gz MOBFBGIGCIYZSF-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+](CC)CC ZINC001197142231 1294458576 /nfs/dbraw/zinc/45/85/76/1294458576.db2.gz VFZILOUCZCGYEM-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000958783425 1294482219 /nfs/dbraw/zinc/48/22/19/1294482219.db2.gz AMPGMPJHELTKSL-PMACEKPBSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CCC(C)(C)C1 ZINC000958799459 1294500670 /nfs/dbraw/zinc/50/06/70/1294500670.db2.gz PKRYQIBKZAJSOQ-IBGZPJMESA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615071 1313089631 /nfs/dbraw/zinc/08/96/31/1313089631.db2.gz HNGNUIASYIDYGR-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049615071 1313089634 /nfs/dbraw/zinc/08/96/34/1313089634.db2.gz HNGNUIASYIDYGR-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049616130 1313090485 /nfs/dbraw/zinc/09/04/85/1313090485.db2.gz RMKWNVXDHQUJFD-AQNXPRMDSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049616130 1313090490 /nfs/dbraw/zinc/09/04/90/1313090490.db2.gz RMKWNVXDHQUJFD-AQNXPRMDSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616019 1313090502 /nfs/dbraw/zinc/09/05/02/1313090502.db2.gz PUNAFYAUHVFBDJ-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616019 1313090506 /nfs/dbraw/zinc/09/05/06/1313090506.db2.gz PUNAFYAUHVFBDJ-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886059521 1294651396 /nfs/dbraw/zinc/65/13/96/1294651396.db2.gz GUQMTZPVRNYODC-KSZLIROESA-N 1 3 336.520 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccc(C)cc2C)CC1 ZINC001197708079 1294683982 /nfs/dbraw/zinc/68/39/82/1294683982.db2.gz UOFBAYQFHQHBKY-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccc(C)cc2C)CC1 ZINC001197708079 1294683988 /nfs/dbraw/zinc/68/39/88/1294683988.db2.gz UOFBAYQFHQHBKY-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001197885561 1294765201 /nfs/dbraw/zinc/76/52/01/1294765201.db2.gz HSGHDNJBXHGYDY-HXUWFJFHSA-N 1 3 343.515 2.940 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001197908364 1294799583 /nfs/dbraw/zinc/79/95/83/1294799583.db2.gz YRANKWFBOMZSLT-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001197908364 1294799591 /nfs/dbraw/zinc/79/95/91/1294799591.db2.gz YRANKWFBOMZSLT-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)C1 ZINC001276450754 1313107468 /nfs/dbraw/zinc/10/74/68/1313107468.db2.gz KFIUKDRCEQWXHN-FQEVSTJZSA-N 1 3 341.455 2.954 20 0 EFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)C1 ZINC001276450754 1313107470 /nfs/dbraw/zinc/10/74/70/1313107470.db2.gz KFIUKDRCEQWXHN-FQEVSTJZSA-N 1 3 341.455 2.954 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)N1CCCC1 ZINC001049630116 1313109382 /nfs/dbraw/zinc/10/93/82/1313109382.db2.gz NVVBOCKKLCCMLY-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)N1CCCC1 ZINC001049630116 1313109386 /nfs/dbraw/zinc/10/93/86/1313109386.db2.gz NVVBOCKKLCCMLY-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345021 1313109505 /nfs/dbraw/zinc/10/95/05/1313109505.db2.gz FOTSCUPBDLZGAL-WYNBNGFRSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)N1CCCC1 ZINC001049630118 1313109660 /nfs/dbraw/zinc/10/96/60/1313109660.db2.gz NVVBOCKKLCCMLY-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)N1CCCC1 ZINC001049630118 1313109663 /nfs/dbraw/zinc/10/96/63/1313109663.db2.gz NVVBOCKKLCCMLY-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345020 1313109739 /nfs/dbraw/zinc/10/97/39/1313109739.db2.gz FOTSCUPBDLZGAL-CQQBRXBZSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N1CCCC1 ZINC001049629695 1313109835 /nfs/dbraw/zinc/10/98/35/1313109835.db2.gz LLXUHJHKPPYQRR-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)N1CCCC1 ZINC001049629695 1313109838 /nfs/dbraw/zinc/10/98/38/1313109838.db2.gz LLXUHJHKPPYQRR-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001234345407 1313109865 /nfs/dbraw/zinc/10/98/65/1313109865.db2.gz HUJAZCANRZBECV-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]2CN(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001234345407 1313109869 /nfs/dbraw/zinc/10/98/69/1313109869.db2.gz HUJAZCANRZBECV-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631939 1313112076 /nfs/dbraw/zinc/11/20/76/1313112076.db2.gz YTUVGDLKTRSYRB-ZWKOTPCHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631939 1313112079 /nfs/dbraw/zinc/11/20/79/1313112079.db2.gz YTUVGDLKTRSYRB-ZWKOTPCHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631936 1313112150 /nfs/dbraw/zinc/11/21/50/1313112150.db2.gz YTUVGDLKTRSYRB-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631936 1313112152 /nfs/dbraw/zinc/11/21/52/1313112152.db2.gz YTUVGDLKTRSYRB-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001203902553 1295007295 /nfs/dbraw/zinc/00/72/95/1295007295.db2.gz FQVKFTDAPQAQIZ-BJMVGYQFSA-N 1 3 335.879 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001203902554 1295007848 /nfs/dbraw/zinc/00/78/48/1295007848.db2.gz FQVKFTDAPQAQIZ-YHYXMXQVSA-N 1 3 335.879 2.695 20 0 EFADHO C[NH+]1CCC(C)(CN2CC3(CN(CCCC(F)(F)F)C3)C2)CC1 ZINC001276453144 1313120558 /nfs/dbraw/zinc/12/05/58/1313120558.db2.gz FKNTZFHFMZCPLY-UHFFFAOYSA-N 1 3 333.442 2.678 20 0 EFADHO O=C(NCc1ccc(F)cc1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903723920 1313120933 /nfs/dbraw/zinc/12/09/33/1313120933.db2.gz JMTNWTQYJWHKBS-KRWDZBQOSA-N 1 3 347.478 2.544 20 0 EFADHO c1ccc([C@@H]2CSCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903725191 1313122719 /nfs/dbraw/zinc/12/27/19/1313122719.db2.gz XUWBAXHWFCBKDW-MSOLQXFVSA-N 1 3 332.513 2.935 20 0 EFADHO CCc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CCCC3)CC2)cc1 ZINC001006412496 1295053072 /nfs/dbraw/zinc/05/30/72/1295053072.db2.gz GARDJADENNYUDV-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001152457056 1295074176 /nfs/dbraw/zinc/07/41/76/1295074176.db2.gz AMXYSRCPUONNBU-KMDKVFFASA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C\c1ccccc1 ZINC001152457057 1295074236 /nfs/dbraw/zinc/07/42/36/1295074236.db2.gz AMXYSRCPUONNBU-RYLLTQLHSA-N 1 3 329.488 2.670 20 0 EFADHO CN1CCc2c(cccc2OC[C@H]2CCC3(CC[NH+](C)CC3)O2)C1 ZINC001234420996 1313125013 /nfs/dbraw/zinc/12/50/13/1313125013.db2.gz YXAJIGVNDCMXLC-QGZVFWFLSA-N 1 3 330.472 2.697 20 0 EFADHO Fc1cccc(CN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903727135 1313125282 /nfs/dbraw/zinc/12/52/82/1313125282.db2.gz QUPCNODPNWGQDD-XUVXKRRUSA-N 1 3 348.462 2.575 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1ccc(C)cc1 ZINC001152458628 1295101497 /nfs/dbraw/zinc/10/14/97/1295101497.db2.gz RUXLXQFSISXFBN-LJQANCHMSA-N 1 3 331.504 2.508 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(C)ns3)(C1)CCC2 ZINC001276458069 1313129634 /nfs/dbraw/zinc/12/96/34/1313129634.db2.gz XOFRBXSKQINBBL-SJORKVTESA-N 1 3 339.505 2.597 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1OC ZINC001198760000 1295237165 /nfs/dbraw/zinc/23/71/65/1295237165.db2.gz OUCJPCAKUVQORM-PKOBYXMFSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017069871 1313138322 /nfs/dbraw/zinc/13/83/22/1313138322.db2.gz BMKKRZDYRWRXLM-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017069871 1313138324 /nfs/dbraw/zinc/13/83/24/1313138324.db2.gz BMKKRZDYRWRXLM-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001017071385 1313139728 /nfs/dbraw/zinc/13/97/28/1313139728.db2.gz LWALVOMYJJKHFN-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001017071385 1313139731 /nfs/dbraw/zinc/13/97/31/1313139731.db2.gz LWALVOMYJJKHFN-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](NCC)c2ccccc2OC)C1 ZINC001198856172 1295281549 /nfs/dbraw/zinc/28/15/49/1295281549.db2.gz GCHPIQDQTZMWQE-FUHWJXTLSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](NCC)c2ccccc2OC)C1 ZINC001198856172 1295281553 /nfs/dbraw/zinc/28/15/53/1295281553.db2.gz GCHPIQDQTZMWQE-FUHWJXTLSA-N 1 3 347.503 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001017072999 1313140886 /nfs/dbraw/zinc/14/08/86/1313140886.db2.gz XVRLOQJHPDQCPO-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001017072999 1313140887 /nfs/dbraw/zinc/14/08/87/1313140887.db2.gz XVRLOQJHPDQCPO-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1NC(=O)CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132250 1295285711 /nfs/dbraw/zinc/28/57/11/1295285711.db2.gz AWLSCRSUKHWUOO-QGZVFWFLSA-N 1 3 338.455 2.929 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](NC(C)C)c1ccccc1OC)[NH+](CC)CC ZINC001198894996 1295297782 /nfs/dbraw/zinc/29/77/82/1295297782.db2.gz NNPQCVDAODXKEO-MSOLQXFVSA-N 1 3 349.519 2.971 20 0 EFADHO CCCCC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902140 1295301885 /nfs/dbraw/zinc/30/18/85/1295301885.db2.gz GJIGHCXJNWZMFI-ROUUACIJSA-N 1 3 349.519 2.973 20 0 EFADHO CCN[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)c1ccccc1OC ZINC001198932404 1295339323 /nfs/dbraw/zinc/33/93/23/1295339323.db2.gz NZRGPZYKCYBOBP-HKUYNNGSSA-N 1 3 349.519 2.828 20 0 EFADHO CCCCN[C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198952932 1295351320 /nfs/dbraw/zinc/35/13/20/1295351320.db2.gz DWNUAVGLWCWXLD-QGZVFWFLSA-N 1 3 335.492 2.584 20 0 EFADHO CCCCN[C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198952932 1295351334 /nfs/dbraw/zinc/35/13/34/1295351334.db2.gz DWNUAVGLWCWXLD-QGZVFWFLSA-N 1 3 335.492 2.584 20 0 EFADHO CCN[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC001198953931 1295352627 /nfs/dbraw/zinc/35/26/27/1295352627.db2.gz WRTPCGKQPSMEMV-GOSISDBHSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](NCCC1CC1)c1ccccc1OC ZINC001198953573 1295353508 /nfs/dbraw/zinc/35/35/08/1295353508.db2.gz QKAHXUPUVIDAMT-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCCC1CC1)c1ccccc1OC ZINC001198953573 1295353517 /nfs/dbraw/zinc/35/35/17/1295353517.db2.gz QKAHXUPUVIDAMT-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC001198968514 1295365315 /nfs/dbraw/zinc/36/53/15/1295365315.db2.gz NBRXFROVYWRMSH-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+]C[C@H](C)CC)c1ccccc1OC ZINC001198968931 1295366071 /nfs/dbraw/zinc/36/60/71/1295366071.db2.gz PVARQYUVZUDNOP-AEFFLSMTSA-N 1 3 349.519 2.830 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001203924560 1295394337 /nfs/dbraw/zinc/39/43/37/1295394337.db2.gz CSCUDFNKBZVWOJ-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472927 1313163113 /nfs/dbraw/zinc/16/31/13/1313163113.db2.gz RXGMJLWGQVVZGJ-ZGXWSNOMSA-N 1 3 347.547 2.711 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472927 1313163115 /nfs/dbraw/zinc/16/31/15/1313163115.db2.gz RXGMJLWGQVVZGJ-ZGXWSNOMSA-N 1 3 347.547 2.711 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC1)N1CCCC1 ZINC001037229417 1295587892 /nfs/dbraw/zinc/58/78/92/1295587892.db2.gz ZOUDZXAPMFKCFW-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001037231101 1295649816 /nfs/dbraw/zinc/64/98/16/1295649816.db2.gz XVZJOAQBBBPDKD-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001234640516 1313175230 /nfs/dbraw/zinc/17/52/30/1313175230.db2.gz ABHLFXYZZIOWBI-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001234640516 1313175232 /nfs/dbraw/zinc/17/52/32/1313175232.db2.gz ABHLFXYZZIOWBI-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001234641233 1313176094 /nfs/dbraw/zinc/17/60/94/1313176094.db2.gz DBPHKWFKXUWESG-DLBZAZTESA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)C ZINC001234641233 1313176098 /nfs/dbraw/zinc/17/60/98/1313176098.db2.gz DBPHKWFKXUWESG-DLBZAZTESA-N 1 3 329.504 2.635 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644068 1313176521 /nfs/dbraw/zinc/17/65/21/1313176521.db2.gz SFFOPAUJKYNLOE-IAGOWNOFSA-N 1 3 329.504 2.635 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644068 1313176525 /nfs/dbraw/zinc/17/65/25/1313176525.db2.gz SFFOPAUJKYNLOE-IAGOWNOFSA-N 1 3 329.504 2.635 20 0 EFADHO COC(=O)c1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c2ncccc12 ZINC000903761374 1313176832 /nfs/dbraw/zinc/17/68/32/1313176832.db2.gz QZFBDNAYKYYQRT-FMKPAKJESA-N 1 3 341.455 2.827 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001199788453 1295753592 /nfs/dbraw/zinc/75/35/92/1295753592.db2.gz QPXBXPBKWFIOCE-CSBXVMIQSA-N 1 3 341.499 2.765 20 0 EFADHO FC(F)(F)c1ccc2c(c1)CCN(C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770783 1313184239 /nfs/dbraw/zinc/18/42/39/1313184239.db2.gz LQBWRLMSDTYXLH-IRXDYDNUSA-N 1 3 340.389 2.832 20 0 EFADHO CSc1cc(C)cc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001277895811 1313194531 /nfs/dbraw/zinc/19/45/31/1313194531.db2.gz KBFXJOICXIPFBR-UHFFFAOYSA-N 1 3 333.545 2.786 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001204798116 1313196345 /nfs/dbraw/zinc/19/63/45/1313196345.db2.gz GDKYTRFZHWCJNK-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCCC(F)(F)F)CC1 ZINC001204799448 1313196681 /nfs/dbraw/zinc/19/66/81/1313196681.db2.gz XERRLDKPSBSJAV-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001204799468 1313196701 /nfs/dbraw/zinc/19/67/01/1313196701.db2.gz XPJDAICKTMLSOO-MRSBXDGLSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141840 1313198691 /nfs/dbraw/zinc/19/86/91/1313198691.db2.gz JPCOFWJWJPHHDE-UYAOXDASSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141840 1313198695 /nfs/dbraw/zinc/19/86/95/1313198695.db2.gz JPCOFWJWJPHHDE-UYAOXDASSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H](c1ccccc1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903783222 1313205956 /nfs/dbraw/zinc/20/59/56/1313205956.db2.gz WNVLNANRNYNTJJ-QUCCMNQESA-N 1 3 343.515 2.524 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017153405 1313208524 /nfs/dbraw/zinc/20/85/24/1313208524.db2.gz OMCISTNHNCNLCO-IEBWSBKVSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017153405 1313208528 /nfs/dbraw/zinc/20/85/28/1313208528.db2.gz OMCISTNHNCNLCO-IEBWSBKVSA-N 1 3 349.494 2.836 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037247502 1296061213 /nfs/dbraw/zinc/06/12/13/1296061213.db2.gz PMTYSMBAGDRMFZ-DLBZAZTESA-N 1 3 346.519 2.961 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)CCCC1 ZINC001276477978 1313214178 /nfs/dbraw/zinc/21/41/78/1313214178.db2.gz KXKVMYLKCXDHQI-PKOBYXMFSA-N 1 3 330.520 2.643 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)CCCC1 ZINC001276477978 1313214181 /nfs/dbraw/zinc/21/41/81/1313214181.db2.gz KXKVMYLKCXDHQI-PKOBYXMFSA-N 1 3 330.520 2.643 20 0 EFADHO C[NH+](C)CC1(CN2CC3(C2)CCN(Cc2ccc[nH]2)C3)CCCC1 ZINC001276478155 1313216430 /nfs/dbraw/zinc/21/64/30/1313216430.db2.gz OROPDYNBHMBSNT-UHFFFAOYSA-N 1 3 330.520 2.644 20 0 EFADHO Brc1ccc([C@@H]2CCCN2CC[C@@H]2C[NH2+]CCO2)cc1 ZINC001205001350 1313219497 /nfs/dbraw/zinc/21/94/97/1313219497.db2.gz QJODSYWKHXWOOV-CVEARBPZSA-N 1 3 339.277 2.965 20 0 EFADHO [NH3+]CC1CCN(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 ZINC001205058826 1313226594 /nfs/dbraw/zinc/22/65/94/1313226594.db2.gz VIEMJRDBBHCYLI-UHFFFAOYSA-N 1 3 328.338 2.632 20 0 EFADHO CCC(C)(C)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793341 1313223059 /nfs/dbraw/zinc/22/30/59/1313223059.db2.gz AWUSJLXQXOEVKC-MRXNPFEDSA-N 1 3 331.504 2.672 20 0 EFADHO C[C@@H](C(=O)N1CCCCCC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793594 1313223134 /nfs/dbraw/zinc/22/31/34/1313223134.db2.gz FUEUARDIVQVEKG-SFHVURJKSA-N 1 3 343.515 2.770 20 0 EFADHO CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794546 1313225027 /nfs/dbraw/zinc/22/50/27/1313225027.db2.gz ZGAAQZPLYZLEAH-DLBZAZTESA-N 1 3 331.504 2.672 20 0 EFADHO CCOC(=O)c1[nH]c2ccc(C)cc2c1CN1CCC(C[NH3+])CC1 ZINC001205040919 1313225515 /nfs/dbraw/zinc/22/55/15/1313225515.db2.gz LRSCAKWFIRQBTG-UHFFFAOYSA-N 1 3 329.444 2.824 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC000959913876 1296230903 /nfs/dbraw/zinc/23/09/03/1296230903.db2.gz ZVJPTMCTKIOQMH-ROUUACIJSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC000959925068 1296241967 /nfs/dbraw/zinc/24/19/67/1296241967.db2.gz LPFQBWNIYSDAPF-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC000959924884 1296242389 /nfs/dbraw/zinc/24/23/89/1296242389.db2.gz JTLMGKBAUCVERT-IRXDYDNUSA-N 1 3 335.517 2.621 20 0 EFADHO Fc1cccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276479372 1313235710 /nfs/dbraw/zinc/23/57/10/1313235710.db2.gz XQNTUTUQCHMFRL-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO Fc1cccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276479372 1313235712 /nfs/dbraw/zinc/23/57/12/1313235712.db2.gz XQNTUTUQCHMFRL-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO CCCC[C@@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277922329 1313241223 /nfs/dbraw/zinc/24/12/23/1313241223.db2.gz KPTOIULWKRSFNK-NEWSRXKRSA-N 1 3 347.547 2.878 20 0 EFADHO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277922329 1313241224 /nfs/dbraw/zinc/24/12/24/1313241224.db2.gz KPTOIULWKRSFNK-NEWSRXKRSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3c(Cl)[nH]c4ccccc43)[C@@H]2C1 ZINC001275623574 1296328463 /nfs/dbraw/zinc/32/84/63/1296328463.db2.gz NFUKXUFQNWQPQY-KBXCAEBGSA-N 1 3 346.906 2.889 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3c(Cl)[nH]c4ccccc43)[C@@H]2C1 ZINC001275623574 1296328480 /nfs/dbraw/zinc/32/84/80/1296328480.db2.gz NFUKXUFQNWQPQY-KBXCAEBGSA-N 1 3 346.906 2.889 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC000960021946 1296368582 /nfs/dbraw/zinc/36/85/82/1296368582.db2.gz GLFHGPXXMWBUHJ-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001017202197 1313256861 /nfs/dbraw/zinc/25/68/61/1313256861.db2.gz QSWFQSWPXYRWPU-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001017202197 1313256864 /nfs/dbraw/zinc/25/68/64/1313256864.db2.gz QSWFQSWPXYRWPU-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000960092611 1296446565 /nfs/dbraw/zinc/44/65/65/1296446565.db2.gz QXCKWVUGJZYALG-AYOQOUSVSA-N 1 3 347.478 2.952 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200894393 1296477318 /nfs/dbraw/zinc/47/73/18/1296477318.db2.gz QKQYFCXSRCGKPK-FQNOHDAGSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200894393 1296477322 /nfs/dbraw/zinc/47/73/22/1296477322.db2.gz QKQYFCXSRCGKPK-FQNOHDAGSA-N 1 3 348.318 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000960129915 1296490310 /nfs/dbraw/zinc/49/03/10/1296490310.db2.gz AMWLZXCDWABWLI-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC000960132703 1296493174 /nfs/dbraw/zinc/49/31/74/1296493174.db2.gz YJHKQDYEMKAADW-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC000960138123 1296498384 /nfs/dbraw/zinc/49/83/84/1296498384.db2.gz ZYMSLGOQBIKFKQ-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC000960150719 1296512555 /nfs/dbraw/zinc/51/25/55/1296512555.db2.gz MFGXUMXZSQCQIQ-APWZRJJASA-N 1 3 340.471 2.993 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC000960151717 1296516672 /nfs/dbraw/zinc/51/66/72/1296516672.db2.gz SMEAGCWMRSDBGI-IBGZPJMESA-N 1 3 340.471 2.740 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001017209433 1313266369 /nfs/dbraw/zinc/26/63/69/1313266369.db2.gz PDXCYHVVYOSZOP-UYAOXDASSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001017209433 1313266373 /nfs/dbraw/zinc/26/63/73/1313266373.db2.gz PDXCYHVVYOSZOP-UYAOXDASSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001017209107 1313266699 /nfs/dbraw/zinc/26/66/99/1313266699.db2.gz LQNQWIBZCIVBPP-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001017209107 1313266703 /nfs/dbraw/zinc/26/67/03/1313266703.db2.gz LQNQWIBZCIVBPP-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209453 1313266962 /nfs/dbraw/zinc/26/69/62/1313266962.db2.gz PKGMBFMDHAMMTE-MSOLQXFVSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209453 1313266966 /nfs/dbraw/zinc/26/69/66/1313266966.db2.gz PKGMBFMDHAMMTE-MSOLQXFVSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017209093 1313267237 /nfs/dbraw/zinc/26/72/37/1313267237.db2.gz LOIVOXHRLPLYJJ-IRXDYDNUSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017209093 1313267238 /nfs/dbraw/zinc/26/72/38/1313267238.db2.gz LOIVOXHRLPLYJJ-IRXDYDNUSA-N 1 3 349.544 2.903 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC000960174712 1296540639 /nfs/dbraw/zinc/54/06/39/1296540639.db2.gz LCJRQHWBKPHLMK-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000960174712 1296540646 /nfs/dbraw/zinc/54/06/46/1296540646.db2.gz LCJRQHWBKPHLMK-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO COc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1OC(C)=O ZINC001235237952 1313271762 /nfs/dbraw/zinc/27/17/62/1313271762.db2.gz FLNBYAODGYKFNT-GOSISDBHSA-N 1 3 346.471 2.975 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235242751 1313271947 /nfs/dbraw/zinc/27/19/47/1313271947.db2.gz UQDWWSZQSYJUDI-SFHVURJKSA-N 1 3 334.435 2.966 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1O ZINC001235243088 1313272303 /nfs/dbraw/zinc/27/23/03/1313272303.db2.gz VUJKVTYYJXPJLY-QGZVFWFLSA-N 1 3 332.444 2.533 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCc2ccsc2)CC1)C1CC1 ZINC001201053600 1296567290 /nfs/dbraw/zinc/56/72/90/1296567290.db2.gz TZTWXTLFQVTNQG-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000960220272 1296597358 /nfs/dbraw/zinc/59/73/58/1296597358.db2.gz WVWNJZMUEMKFBM-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC000960220272 1296597371 /nfs/dbraw/zinc/59/73/71/1296597371.db2.gz WVWNJZMUEMKFBM-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)c1 ZINC000960223728 1296602200 /nfs/dbraw/zinc/60/22/00/1296602200.db2.gz YUTOOCMCBSLFHD-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF)N1CCCCCC1 ZINC001049767567 1313277424 /nfs/dbraw/zinc/27/74/24/1313277424.db2.gz PSCXBQMBXYNKGG-SQNIBIBYSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF)N1CCCCCC1 ZINC001049767567 1313277427 /nfs/dbraw/zinc/27/74/27/1313277427.db2.gz PSCXBQMBXYNKGG-SQNIBIBYSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF)N1CCCCCC1 ZINC001049767565 1313277860 /nfs/dbraw/zinc/27/78/60/1313277860.db2.gz PSCXBQMBXYNKGG-KURKYZTESA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF)N1CCCCCC1 ZINC001049767565 1313277864 /nfs/dbraw/zinc/27/78/64/1313277864.db2.gz PSCXBQMBXYNKGG-KURKYZTESA-N 1 3 339.499 2.676 20 0 EFADHO C[Si](C)(C)c1ccc(CN2CCC(OC3CC[NH2+]CC3)CC2)cc1 ZINC001235289991 1313283433 /nfs/dbraw/zinc/28/34/33/1313283433.db2.gz DLZSOLMMKUCLFX-UHFFFAOYSA-N 1 3 346.591 2.965 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1cccc(F)c1 ZINC001205419676 1313285111 /nfs/dbraw/zinc/28/51/11/1313285111.db2.gz SETKWRLJEPFVCO-ZWKOTPCHSA-N 1 3 349.494 2.850 20 0 EFADHO Cc1cccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c1C ZINC001276228595 1296665734 /nfs/dbraw/zinc/66/57/34/1296665734.db2.gz ZOPZKZGIJWSDNB-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cccc(F)c1 ZINC001205446193 1313290617 /nfs/dbraw/zinc/29/06/17/1313290617.db2.gz WSLPJGHWVAWINC-RBUKOAKNSA-N 1 3 349.494 2.852 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355199 1313300509 /nfs/dbraw/zinc/30/05/09/1313300509.db2.gz PVEKDJRHGIZMRE-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355199 1313300513 /nfs/dbraw/zinc/30/05/13/1313300513.db2.gz PVEKDJRHGIZMRE-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)C1CC1 ZINC001205462184 1313293857 /nfs/dbraw/zinc/29/38/57/1313293857.db2.gz UUVQLIZYIRZMKR-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001235335636 1313294152 /nfs/dbraw/zinc/29/41/52/1313294152.db2.gz LYGNCAHYRHOBCY-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001235335636 1313294156 /nfs/dbraw/zinc/29/41/56/1313294156.db2.gz LYGNCAHYRHOBCY-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1)C1CC1 ZINC001235337546 1313294894 /nfs/dbraw/zinc/29/48/94/1313294894.db2.gz UIIWIFCUWFYSQS-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1)C1CC1 ZINC001235337546 1313294899 /nfs/dbraw/zinc/29/48/99/1313294899.db2.gz UIIWIFCUWFYSQS-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)C1CCC1 ZINC001205469369 1313295241 /nfs/dbraw/zinc/29/52/41/1313295241.db2.gz ARRUDQKSXOFJOS-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668543 1296723026 /nfs/dbraw/zinc/72/30/26/1296723026.db2.gz RBLSODBAEJKSAS-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001095668543 1296723036 /nfs/dbraw/zinc/72/30/36/1296723036.db2.gz RBLSODBAEJKSAS-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC001201321005 1296725227 /nfs/dbraw/zinc/72/52/27/1296725227.db2.gz FAXDVMQOZQNRPF-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001201327118 1296730641 /nfs/dbraw/zinc/73/06/41/1296730641.db2.gz GQOZTLHLSKYTMP-INIZCTEOSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1cc(Br)c(CN2CC[C@@H](C3C[NH2+]C3)C2)cc1F ZINC001235342504 1313296483 /nfs/dbraw/zinc/29/64/83/1313296483.db2.gz WHLMMNGGABWZFO-LLVKDONJSA-N 1 3 327.241 2.938 20 0 EFADHO Cc1cc(Br)c(CN2CC[C@H](C3C[NH2+]C3)C2)cc1F ZINC001235342505 1313297008 /nfs/dbraw/zinc/29/70/08/1313297008.db2.gz WHLMMNGGABWZFO-NSHDSACASA-N 1 3 327.241 2.938 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233844 1314460920 /nfs/dbraw/zinc/46/09/20/1314460920.db2.gz QAVBMFCWLDTBSE-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC001413012337 1296771322 /nfs/dbraw/zinc/77/13/22/1296771322.db2.gz RHQFVNYZSYGCDX-WOJBJXKFSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC001413012337 1296771325 /nfs/dbraw/zinc/77/13/25/1296771325.db2.gz RHQFVNYZSYGCDX-WOJBJXKFSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001205516056 1313303032 /nfs/dbraw/zinc/30/30/32/1313303032.db2.gz MMWPQNBLDNLXIX-OJLWIZQOSA-N 1 3 343.515 2.868 20 0 EFADHO C[N@@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001017259858 1313304465 /nfs/dbraw/zinc/30/44/65/1313304465.db2.gz IJAGNPYRFRCMCU-QGZVFWFLSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001017259858 1313304468 /nfs/dbraw/zinc/30/44/68/1313304468.db2.gz IJAGNPYRFRCMCU-QGZVFWFLSA-N 1 3 347.478 2.592 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC001205548474 1313309755 /nfs/dbraw/zinc/30/97/55/1313309755.db2.gz BVIMNDYOEQBBDD-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205579610 1313317297 /nfs/dbraw/zinc/31/72/97/1313317297.db2.gz OLWDYZYEJCJCBX-INIZCTEOSA-N 1 3 328.815 2.780 20 0 EFADHO [NH3+]C[C@@]1(F)CCCN(Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001205591233 1313319307 /nfs/dbraw/zinc/31/93/07/1313319307.db2.gz ICSGGBQFZOMFSB-CQSZACIVSA-N 1 3 346.237 2.869 20 0 EFADHO CC[C@H](N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)c1cccc(OC)n1 ZINC000926881829 1296969708 /nfs/dbraw/zinc/96/97/08/1296969708.db2.gz ZJWVMAHTTZXQPZ-CIJNOWTPSA-N 1 3 347.503 2.611 20 0 EFADHO CC[C@H](N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O)c1cccc(OC)n1 ZINC000926881829 1296969711 /nfs/dbraw/zinc/96/97/11/1296969711.db2.gz ZJWVMAHTTZXQPZ-CIJNOWTPSA-N 1 3 347.503 2.611 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927109458 1296992881 /nfs/dbraw/zinc/99/28/81/1296992881.db2.gz NCAACDVGROEMCI-JRGCBEDISA-N 1 3 349.563 2.872 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CCN2C2CCOCC2)CC1 ZINC000927109459 1296993282 /nfs/dbraw/zinc/99/32/82/1296993282.db2.gz NCAACDVGROEMCI-QMMLZNLJSA-N 1 3 349.563 2.872 20 0 EFADHO C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)N1CC(F)(F)F ZINC000903875653 1313330927 /nfs/dbraw/zinc/33/09/27/1313330927.db2.gz SJJSHDACJZIXFO-ZANUVAQNSA-N 1 3 333.442 2.864 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1F ZINC001205658124 1313332336 /nfs/dbraw/zinc/33/23/36/1313332336.db2.gz XSXHYIJXZKXUOU-FUHWJXTLSA-N 1 3 349.494 2.708 20 0 EFADHO COc1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)c2c(OC)cccc12 ZINC001205673959 1313334904 /nfs/dbraw/zinc/33/49/04/1313334904.db2.gz WNHODQKSBSKGBH-HXUWFJFHSA-N 1 3 344.455 2.533 20 0 EFADHO CSCCC[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001201688522 1297036762 /nfs/dbraw/zinc/03/67/62/1297036762.db2.gz MJVXNDCYJGHCDE-UHFFFAOYSA-N 1 3 349.544 2.749 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960478017 1297066749 /nfs/dbraw/zinc/06/67/49/1297066749.db2.gz KASANFHXISZWBE-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960478017 1297066767 /nfs/dbraw/zinc/06/67/67/1297066767.db2.gz KASANFHXISZWBE-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478102 1297070005 /nfs/dbraw/zinc/07/00/05/1297070005.db2.gz LQTJWEWQAJLNDV-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478102 1297070020 /nfs/dbraw/zinc/07/00/20/1297070020.db2.gz LQTJWEWQAJLNDV-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960480870 1297075762 /nfs/dbraw/zinc/07/57/62/1297075762.db2.gz UGIDLWHIIKPBCW-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960480870 1297075773 /nfs/dbraw/zinc/07/57/73/1297075773.db2.gz UGIDLWHIIKPBCW-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512271 1313339778 /nfs/dbraw/zinc/33/97/78/1313339778.db2.gz IPVQIQXPWWYGJO-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512271 1313339782 /nfs/dbraw/zinc/33/97/82/1313339782.db2.gz IPVQIQXPWWYGJO-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960480868 1297078451 /nfs/dbraw/zinc/07/84/51/1297078451.db2.gz UGIDLWHIIKPBCW-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960480868 1297078463 /nfs/dbraw/zinc/07/84/63/1297078463.db2.gz UGIDLWHIIKPBCW-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235510746 1313340497 /nfs/dbraw/zinc/34/04/97/1313340497.db2.gz CRXPCOLRSNGOPG-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235510746 1313340501 /nfs/dbraw/zinc/34/05/01/1313340501.db2.gz CRXPCOLRSNGOPG-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000960484692 1297086944 /nfs/dbraw/zinc/08/69/44/1297086944.db2.gz AHUIMLYROLLXPI-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000960484692 1297086956 /nfs/dbraw/zinc/08/69/56/1297086956.db2.gz AHUIMLYROLLXPI-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC000960485394 1297090811 /nfs/dbraw/zinc/09/08/11/1297090811.db2.gz DNSLEFYANBRWMY-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC000960485394 1297090826 /nfs/dbraw/zinc/09/08/26/1297090826.db2.gz DNSLEFYANBRWMY-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960486134 1297091592 /nfs/dbraw/zinc/09/15/92/1297091592.db2.gz HPFZQXVCYSZFCU-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960486134 1297091606 /nfs/dbraw/zinc/09/16/06/1297091606.db2.gz HPFZQXVCYSZFCU-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235517483 1313342452 /nfs/dbraw/zinc/34/24/52/1313342452.db2.gz ZFBAIUFJOYEHLT-DLBZAZTESA-N 1 3 349.544 2.698 20 0 EFADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235517483 1313342457 /nfs/dbraw/zinc/34/24/57/1313342457.db2.gz ZFBAIUFJOYEHLT-DLBZAZTESA-N 1 3 349.544 2.698 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000960490242 1297099545 /nfs/dbraw/zinc/09/95/45/1297099545.db2.gz WQEPJNSBWRBRIP-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000960490242 1297099562 /nfs/dbraw/zinc/09/95/62/1297099562.db2.gz WQEPJNSBWRBRIP-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1F ZINC001205674713 1313335510 /nfs/dbraw/zinc/33/55/10/1313335510.db2.gz ZZGFMPOTPOBUKV-PKOBYXMFSA-N 1 3 349.494 2.852 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203325241 1297116258 /nfs/dbraw/zinc/11/62/58/1297116258.db2.gz KUFRVQPXKZLPBO-OLZOCXBDSA-N 1 3 348.318 2.664 20 0 EFADHO Fc1ccc(C[C@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903887059 1313352350 /nfs/dbraw/zinc/35/23/50/1313352350.db2.gz WYRSFUASGCHXFQ-QZTJIDSGSA-N 1 3 343.450 2.549 20 0 EFADHO CC(C)(C)CCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001202072742 1297211818 /nfs/dbraw/zinc/21/18/18/1297211818.db2.gz AMVNUAJQWCPXNK-UHFFFAOYSA-N 1 3 349.523 2.532 20 0 EFADHO COCC(COC)[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000929847643 1297212215 /nfs/dbraw/zinc/21/22/15/1297212215.db2.gz MQHBKDJGCZZRCA-UYAOXDASSA-N 1 3 332.488 2.634 20 0 EFADHO COCC(COC)[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000929847643 1297212226 /nfs/dbraw/zinc/21/22/26/1297212226.db2.gz MQHBKDJGCZZRCA-UYAOXDASSA-N 1 3 332.488 2.634 20 0 EFADHO Cc1ccccc1[C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890139 1313358884 /nfs/dbraw/zinc/35/88/84/1313358884.db2.gz YOMXBPFUVUCUOL-IRXDYDNUSA-N 1 3 325.460 2.501 20 0 EFADHO Cc1ccc(C[C@@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892136 1313363053 /nfs/dbraw/zinc/36/30/53/1313363053.db2.gz QJDBNMUGRQFRSY-RBUKOAKNSA-N 1 3 339.487 2.718 20 0 EFADHO COC(=O)CCCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001202253784 1297291154 /nfs/dbraw/zinc/29/11/54/1297291154.db2.gz XQMITRFMWKJFHR-JRBPQWBISA-N 1 3 332.488 2.835 20 0 EFADHO COC(=O)CCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001202253784 1297291163 /nfs/dbraw/zinc/29/11/63/1297291163.db2.gz XQMITRFMWKJFHR-JRBPQWBISA-N 1 3 332.488 2.835 20 0 EFADHO C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894840 1313368188 /nfs/dbraw/zinc/36/81/88/1313368188.db2.gz FVUFLYYRBOBJEL-BPQIPLTHSA-N 1 3 325.460 2.581 20 0 EFADHO C[NH+](C)CC1(O)CCN(CCCOc2cccc3ccccc32)CC1 ZINC000931483965 1297343442 /nfs/dbraw/zinc/34/34/42/1297343442.db2.gz IFMZDYRGJCLPCS-UHFFFAOYSA-N 1 3 342.483 2.997 20 0 EFADHO CC(C)OCCN(CCOC(C)C)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235695705 1313377459 /nfs/dbraw/zinc/37/74/59/1313377459.db2.gz ZWTNKTIDYWSQHN-UHFFFAOYSA-N 1 3 334.504 2.984 20 0 EFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235694238 1313378027 /nfs/dbraw/zinc/37/80/27/1313378027.db2.gz AEISWBRCOMZCPT-QGZVFWFLSA-N 1 3 330.472 2.886 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)C1CCC1 ZINC000960666158 1297392500 /nfs/dbraw/zinc/39/25/00/1297392500.db2.gz AAWWUZPKCDKKLJ-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)C1CCC1 ZINC000960666158 1297392515 /nfs/dbraw/zinc/39/25/15/1297392515.db2.gz AAWWUZPKCDKKLJ-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC000960667368 1297395420 /nfs/dbraw/zinc/39/54/20/1297395420.db2.gz HZCMCYNKCVVKBZ-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC000960667368 1297395429 /nfs/dbraw/zinc/39/54/29/1297395429.db2.gz HZCMCYNKCVVKBZ-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cc(C)cc([C@@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903902485 1313382369 /nfs/dbraw/zinc/38/23/69/1313382369.db2.gz HOCQPRFXRAUBRS-MJGOQNOKSA-N 1 3 339.487 2.809 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669218 1297401082 /nfs/dbraw/zinc/40/10/82/1297401082.db2.gz SXNPJGSPJBSSMQ-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669218 1297401087 /nfs/dbraw/zinc/40/10/87/1297401087.db2.gz SXNPJGSPJBSSMQ-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)CCC1 ZINC000960681271 1297415017 /nfs/dbraw/zinc/41/50/17/1297415017.db2.gz MUGDWQSOPLGARL-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)CCC1 ZINC000960681271 1297415020 /nfs/dbraw/zinc/41/50/20/1297415020.db2.gz MUGDWQSOPLGARL-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC000960680140 1297415130 /nfs/dbraw/zinc/41/51/30/1297415130.db2.gz KZUSKEJWDFBPNI-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC000960680140 1297415134 /nfs/dbraw/zinc/41/51/34/1297415134.db2.gz KZUSKEJWDFBPNI-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2)CCC1 ZINC000960682550 1297418179 /nfs/dbraw/zinc/41/81/79/1297418179.db2.gz QAHZAJHCYSPOHA-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000960682550 1297418184 /nfs/dbraw/zinc/41/81/84/1297418184.db2.gz QAHZAJHCYSPOHA-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2)CCC1 ZINC000960682551 1297418299 /nfs/dbraw/zinc/41/82/99/1297418299.db2.gz QAHZAJHCYSPOHA-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2)CCC1 ZINC000960682551 1297418303 /nfs/dbraw/zinc/41/83/03/1297418303.db2.gz QAHZAJHCYSPOHA-SFHVURJKSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849066 1313384821 /nfs/dbraw/zinc/38/48/21/1313384821.db2.gz NDBHMYHRFPSHPF-SOUVJXGZSA-N 1 3 336.455 2.501 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849066 1313384825 /nfs/dbraw/zinc/38/48/25/1313384825.db2.gz NDBHMYHRFPSHPF-SOUVJXGZSA-N 1 3 336.455 2.501 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)C1CC1 ZINC000960686383 1297420681 /nfs/dbraw/zinc/42/06/81/1297420681.db2.gz WNWXQCHLNJGMQH-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)C1CC1 ZINC000960686383 1297420683 /nfs/dbraw/zinc/42/06/83/1297420683.db2.gz WNWXQCHLNJGMQH-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)N(C)C ZINC000960687631 1297421786 /nfs/dbraw/zinc/42/17/86/1297421786.db2.gz LTYITLSQYJZGFJ-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)N(C)C ZINC000960687631 1297421793 /nfs/dbraw/zinc/42/17/93/1297421793.db2.gz LTYITLSQYJZGFJ-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO FC(F)(F)c1cccc([C@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)c1 ZINC001235713297 1313382199 /nfs/dbraw/zinc/38/21/99/1313382199.db2.gz WGAZJRQHSOEURZ-HOCLYGCPSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)c1 ZINC001235713297 1313382201 /nfs/dbraw/zinc/38/22/01/1313382201.db2.gz WGAZJRQHSOEURZ-HOCLYGCPSA-N 1 3 328.378 2.873 20 0 EFADHO Cc1ncsc1CN1CCC2(C1)CC[NH+](CC(C)(C)CO)CC2 ZINC001277968166 1313395481 /nfs/dbraw/zinc/39/54/81/1313395481.db2.gz RTFQHPCFHLKEID-UHFFFAOYSA-N 1 3 337.533 2.758 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235790899 1313396771 /nfs/dbraw/zinc/39/67/71/1313396771.db2.gz RXCCAHMMTTZFLN-DAXOMENPSA-N 1 3 343.849 2.777 20 0 EFADHO Brc1cccc([C@H]2CN(C[C@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235794981 1313397155 /nfs/dbraw/zinc/39/71/55/1313397155.db2.gz MVNFXMHDEWAIKQ-HZPDHXFCSA-N 1 3 338.293 2.538 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960826407 1297627594 /nfs/dbraw/zinc/62/75/94/1297627594.db2.gz WCWZBESLNYTGNO-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549015 1313408173 /nfs/dbraw/zinc/40/81/73/1313408173.db2.gz BLZCOOZHSDYKMD-MKXGPGLRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549015 1313408176 /nfs/dbraw/zinc/40/81/76/1313408176.db2.gz BLZCOOZHSDYKMD-MKXGPGLRSA-N 1 3 333.520 2.582 20 0 EFADHO [NH3+]CCCCCN1CCN(c2cccc(Br)c2)CC1 ZINC001235848188 1313408791 /nfs/dbraw/zinc/40/87/91/1313408791.db2.gz RCZQQQKWKRUUTN-UHFFFAOYSA-N 1 3 326.282 2.700 20 0 EFADHO C[C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000903917519 1313411139 /nfs/dbraw/zinc/41/11/39/1313411139.db2.gz ZFKOTNIRGAVHTI-IRXDYDNUSA-N 1 3 331.508 2.995 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017554981 1313411247 /nfs/dbraw/zinc/41/12/47/1313411247.db2.gz HOTJYFBEZHOUDT-KURKYZTESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000935793517 1297664317 /nfs/dbraw/zinc/66/43/17/1297664317.db2.gz FOVFDHQPBIGUEO-CTNGQTDRSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935793517 1297664319 /nfs/dbraw/zinc/66/43/19/1297664319.db2.gz FOVFDHQPBIGUEO-CTNGQTDRSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555186 1313412340 /nfs/dbraw/zinc/41/23/40/1313412340.db2.gz KLPPOHFLDSNZLY-RLLQIKCJSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555186 1313412342 /nfs/dbraw/zinc/41/23/42/1313412342.db2.gz KLPPOHFLDSNZLY-RLLQIKCJSA-N 1 3 347.547 2.972 20 0 EFADHO CCOC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)nc1 ZINC001235867604 1313412569 /nfs/dbraw/zinc/41/25/69/1313412569.db2.gz UVGNTFSNIRQGIG-UHFFFAOYSA-N 1 3 331.460 2.566 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)N(C)C ZINC001206169998 1313414411 /nfs/dbraw/zinc/41/44/11/1313414411.db2.gz WPUWOKMFSNSTBT-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC000960858993 1297708888 /nfs/dbraw/zinc/70/88/88/1297708888.db2.gz AVSUZPDHZZVPPS-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC000960858993 1297708893 /nfs/dbraw/zinc/70/88/93/1297708893.db2.gz AVSUZPDHZZVPPS-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC000960860879 1297709826 /nfs/dbraw/zinc/70/98/26/1297709826.db2.gz GJHWAARTKFICSV-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC000960860879 1297709837 /nfs/dbraw/zinc/70/98/37/1297709837.db2.gz GJHWAARTKFICSV-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]C2 ZINC001235934557 1313419392 /nfs/dbraw/zinc/41/93/92/1313419392.db2.gz OKBCKLREFDFQLZ-NHCUHLMSSA-N 1 3 339.458 2.992 20 0 EFADHO [NH3+]Cc1cccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)c1 ZINC001235933668 1313419489 /nfs/dbraw/zinc/41/94/89/1313419489.db2.gz FPVHXJXOWWTVIN-WOJBJXKFSA-N 1 3 327.447 2.848 20 0 EFADHO C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867437 1297724333 /nfs/dbraw/zinc/72/43/33/1297724333.db2.gz XAADTLPNNGKWQE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867437 1297724342 /nfs/dbraw/zinc/72/43/42/1297724342.db2.gz XAADTLPNNGKWQE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960868905 1297729343 /nfs/dbraw/zinc/72/93/43/1297729343.db2.gz LSXNFUSVIKIDTG-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960868905 1297729347 /nfs/dbraw/zinc/72/93/47/1297729347.db2.gz LSXNFUSVIKIDTG-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960872524 1297733213 /nfs/dbraw/zinc/73/32/13/1297733213.db2.gz CQDLGJUAZRTDRD-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960872524 1297733218 /nfs/dbraw/zinc/73/32/18/1297733218.db2.gz CQDLGJUAZRTDRD-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960881106 1297738244 /nfs/dbraw/zinc/73/82/44/1297738244.db2.gz LIBFDXLXYWCAKI-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960881106 1297738253 /nfs/dbraw/zinc/73/82/53/1297738253.db2.gz LIBFDXLXYWCAKI-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960884688 1297742053 /nfs/dbraw/zinc/74/20/53/1297742053.db2.gz SBFZTIPVSGCUCE-OALUTQOASA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960884688 1297742062 /nfs/dbraw/zinc/74/20/62/1297742062.db2.gz SBFZTIPVSGCUCE-OALUTQOASA-N 1 3 349.494 2.919 20 0 EFADHO Cc1c(I)cccc1C[N@@H+](CCN)C(C)C ZINC001235947099 1313422033 /nfs/dbraw/zinc/42/20/33/1313422033.db2.gz HCJXWTICHSEWTB-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO Cc1c(I)cccc1C[N@H+](CCN)C(C)C ZINC001235947099 1313422035 /nfs/dbraw/zinc/42/20/35/1313422035.db2.gz HCJXWTICHSEWTB-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO Cn1c2ccccc2c2cc(CN3C[C@H]4COC[C@@H](C3)C4[NH3+])ccc21 ZINC001235995298 1313428994 /nfs/dbraw/zinc/42/89/94/1313428994.db2.gz RDDVPFJAQOJTNB-GWTOYCKXSA-N 1 3 335.451 2.737 20 0 EFADHO COc1ccc(-c2ccc(CN3C[C@H]4COC[C@@H](C3)C4[NH3+])cc2)cc1 ZINC001235995531 1313429054 /nfs/dbraw/zinc/42/90/54/1313429054.db2.gz UAXLJQPEADHPIY-PMSBKCLSSA-N 1 3 338.451 2.768 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001206274241 1313429227 /nfs/dbraw/zinc/42/92/27/1313429227.db2.gz FUMFMEBIYBXNSQ-ZDUSSCGKSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC001206273853 1313429645 /nfs/dbraw/zinc/42/96/45/1313429645.db2.gz BDMQCJLNWLBSNW-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO CCC/C=C\CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274964 1313430183 /nfs/dbraw/zinc/43/01/83/1313430183.db2.gz NJHYYGQFLJCAHZ-OOFWQKGWSA-N 1 3 335.536 2.903 20 0 EFADHO CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1CN(C)C ZINC001017594142 1313430959 /nfs/dbraw/zinc/43/09/59/1313430959.db2.gz ORCHLCCZORMIPK-IYBDPMFKSA-N 1 3 335.517 2.899 20 0 EFADHO CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1CN(C)C ZINC001017594142 1313430962 /nfs/dbraw/zinc/43/09/62/1313430962.db2.gz ORCHLCCZORMIPK-IYBDPMFKSA-N 1 3 335.517 2.899 20 0 EFADHO CC(C)(C)CC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288285 1313432333 /nfs/dbraw/zinc/43/23/33/1313432333.db2.gz OJZBHIRFYSPSCG-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCCc1ccc(C[N@@H+]2C[C@H]3CNCC[C@@]3(C(=O)OCC)C2)s1 ZINC001236038238 1313432902 /nfs/dbraw/zinc/43/29/02/1313432902.db2.gz GWUZOBRRKOZVQP-RDTXWAMCSA-N 1 3 336.501 2.675 20 0 EFADHO CCCc1ccc(C[N@H+]2C[C@H]3CNCC[C@@]3(C(=O)OCC)C2)s1 ZINC001236038238 1313432903 /nfs/dbraw/zinc/43/29/03/1313432903.db2.gz GWUZOBRRKOZVQP-RDTXWAMCSA-N 1 3 336.501 2.675 20 0 EFADHO CCCCC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206308145 1313433698 /nfs/dbraw/zinc/43/36/98/1313433698.db2.gz YVQPPIDXHCHVGE-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO Fc1cc(C(F)(F)F)ccc1N1CCN(CCC2C[NH2+]C2)CC1 ZINC001236066596 1313436407 /nfs/dbraw/zinc/43/64/07/1313436407.db2.gz OWJSIPMNTIKSGJ-UHFFFAOYSA-N 1 3 331.357 2.576 20 0 EFADHO Cc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cnc1-c1ccccc1 ZINC001236079124 1313439420 /nfs/dbraw/zinc/43/94/20/1313439420.db2.gz PWYAYHVRMRVKCW-FQEVSTJZSA-N 1 3 336.483 2.664 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(COc2ccccc2)cc1 ZINC001236080882 1313439014 /nfs/dbraw/zinc/43/90/14/1313439014.db2.gz HLZMPRJBUFCGEQ-UHFFFAOYSA-N 1 3 339.483 2.603 20 0 EFADHO Cc1c(C[C@@H](C[NH3+])CN[C@H](C)c2ccc3c(c2)CCCO3)cnn1C ZINC000903932544 1313439595 /nfs/dbraw/zinc/43/95/95/1313439595.db2.gz DLYIKVSWPDHAEQ-ZBFHGGJFSA-N 1 3 342.487 2.522 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCC2CCCCC2)c1 ZINC001236081510 1313440105 /nfs/dbraw/zinc/44/01/05/1313440105.db2.gz PKDXTRKRAPAAJB-UHFFFAOYSA-N 1 3 345.531 2.983 20 0 EFADHO CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903932943 1313440443 /nfs/dbraw/zinc/44/04/43/1313440443.db2.gz XXZOSXQWCHNONE-JFIYKMOQSA-N 1 3 331.508 2.851 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001017632415 1313446759 /nfs/dbraw/zinc/44/67/59/1313446759.db2.gz HIEXCHOMDGMMDX-KFPRQRBHSA-N 1 3 333.520 2.582 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001017632415 1313446761 /nfs/dbraw/zinc/44/67/61/1313446761.db2.gz HIEXCHOMDGMMDX-KFPRQRBHSA-N 1 3 333.520 2.582 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948246400 1297954281 /nfs/dbraw/zinc/95/42/81/1297954281.db2.gz XHDNEVOOLLQIAK-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948246400 1297954292 /nfs/dbraw/zinc/95/42/92/1297954292.db2.gz XHDNEVOOLLQIAK-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)CCCn1cc(-c2cncc(CN3CCCCC3)c2)cn1 ZINC001236154079 1313448018 /nfs/dbraw/zinc/44/80/18/1313448018.db2.gz SXKGOJLRPZBWIV-UHFFFAOYSA-N 1 3 327.476 2.883 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001206411810 1313449521 /nfs/dbraw/zinc/44/95/21/1313449521.db2.gz UWPMXPMGEMSYTD-IRXDYDNUSA-N 1 3 346.519 2.997 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961027901 1298024795 /nfs/dbraw/zinc/02/47/95/1298024795.db2.gz LYQAVVUOEVXOBR-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961027901 1298024800 /nfs/dbraw/zinc/02/48/00/1298024800.db2.gz LYQAVVUOEVXOBR-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027418 1298025410 /nfs/dbraw/zinc/02/54/10/1298025410.db2.gz JSVXZFQZKVKAGM-LJQANCHMSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027418 1298025419 /nfs/dbraw/zinc/02/54/19/1298025419.db2.gz JSVXZFQZKVKAGM-LJQANCHMSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961027394 1298026266 /nfs/dbraw/zinc/02/62/66/1298026266.db2.gz ISIVFJZQNCOEKU-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961027394 1298026273 /nfs/dbraw/zinc/02/62/73/1298026273.db2.gz ISIVFJZQNCOEKU-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961029234 1298030764 /nfs/dbraw/zinc/03/07/64/1298030764.db2.gz PZRADGMTSOWBBX-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961029234 1298030770 /nfs/dbraw/zinc/03/07/70/1298030770.db2.gz PZRADGMTSOWBBX-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961030377 1298032058 /nfs/dbraw/zinc/03/20/58/1298032058.db2.gz VNNMHRFYZRDTJE-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961030377 1298032061 /nfs/dbraw/zinc/03/20/61/1298032061.db2.gz VNNMHRFYZRDTJE-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236278847 1313464194 /nfs/dbraw/zinc/46/41/94/1313464194.db2.gz WSPFMDUFGOTEIR-JKEDJMADSA-N 1 3 328.456 2.611 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037274 1298050456 /nfs/dbraw/zinc/05/04/56/1298050456.db2.gz SDDDXKZXCOOJND-VQIMIIECSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037274 1298050466 /nfs/dbraw/zinc/05/04/66/1298050466.db2.gz SDDDXKZXCOOJND-VQIMIIECSA-N 1 3 347.478 2.905 20 0 EFADHO Oc1ccc(-c2nc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cs2)cc1 ZINC001236320075 1313468448 /nfs/dbraw/zinc/46/84/48/1313468448.db2.gz AZBKCFDKANRKKL-GASCZTMLSA-N 1 3 329.469 2.947 20 0 EFADHO Clc1nc(N2CCCC2)sc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320577 1313469159 /nfs/dbraw/zinc/46/91/59/1313469159.db2.gz QSWLTGSGGFORJL-BETUJISGSA-N 1 3 340.924 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049913257 1313474488 /nfs/dbraw/zinc/47/44/88/1313474488.db2.gz CUUAQNBUUCRCPW-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049913257 1313474491 /nfs/dbraw/zinc/47/44/91/1313474491.db2.gz CUUAQNBUUCRCPW-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049913092 1313474662 /nfs/dbraw/zinc/47/46/62/1313474662.db2.gz ALFNLJUEDZPTMP-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049913092 1313474665 /nfs/dbraw/zinc/47/46/65/1313474665.db2.gz ALFNLJUEDZPTMP-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO COC(=O)c1ccc(C2CN(Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC001236410549 1313477170 /nfs/dbraw/zinc/47/71/70/1313477170.db2.gz GGECNMSANOHNLF-UHFFFAOYSA-N 1 3 336.435 2.718 20 0 EFADHO COc1cc(CN2CCCC[C@](C)(C[NH3+])C2)ccc1-n1ccnc1 ZINC001206565586 1313477634 /nfs/dbraw/zinc/47/76/34/1313477634.db2.gz UOHLPYRRGOGJJK-LJQANCHMSA-N 1 3 328.460 2.832 20 0 EFADHO CN1CCN(c2cc(CN3CCCC[C@](C)(C[NH3+])C3)ccc2F)CC1 ZINC001206573854 1313478112 /nfs/dbraw/zinc/47/81/12/1313478112.db2.gz OMGPBJKWSWYAHP-HXUWFJFHSA-N 1 3 348.510 2.528 20 0 EFADHO CCOC(=O)COc1cccc(CN2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206573229 1313478299 /nfs/dbraw/zinc/47/82/99/1313478299.db2.gz KJQQVKJSBFPDJH-LJQANCHMSA-N 1 3 334.460 2.579 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017695070 1313479213 /nfs/dbraw/zinc/47/92/13/1313479213.db2.gz DXHKBFNBUFEBTE-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017695070 1313479216 /nfs/dbraw/zinc/47/92/16/1313479216.db2.gz DXHKBFNBUFEBTE-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049918809 1313484240 /nfs/dbraw/zinc/48/42/40/1313484240.db2.gz MQPGZLYGHISNAH-RTBURBONSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001049918809 1313484242 /nfs/dbraw/zinc/48/42/42/1313484242.db2.gz MQPGZLYGHISNAH-RTBURBONSA-N 1 3 347.478 2.787 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187458 1298271454 /nfs/dbraw/zinc/27/14/54/1298271454.db2.gz UDASYGHUNYKWIU-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187458 1298271462 /nfs/dbraw/zinc/27/14/62/1298271462.db2.gz UDASYGHUNYKWIU-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188144 1298272762 /nfs/dbraw/zinc/27/27/62/1298272762.db2.gz UJMVTMADVXHSCY-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188144 1298272771 /nfs/dbraw/zinc/27/27/71/1298272771.db2.gz UJMVTMADVXHSCY-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269641 1314467076 /nfs/dbraw/zinc/46/70/76/1314467076.db2.gz SOJCEDHRIMFQTB-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(O[C@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)nc1 ZINC001236534694 1313489721 /nfs/dbraw/zinc/48/97/21/1313489721.db2.gz NEICYNWIZUACDT-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO COc1cccc(O[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)n1 ZINC001236537668 1313490130 /nfs/dbraw/zinc/49/01/30/1313490130.db2.gz ZKTPNQBIIBUUSL-SFHVURJKSA-N 1 3 339.439 2.737 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236584464 1313493893 /nfs/dbraw/zinc/49/38/93/1313493893.db2.gz FHELGNKNWJWLPA-HNNXBMFYSA-N 1 3 325.497 2.755 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228172 1298367510 /nfs/dbraw/zinc/36/75/10/1298367510.db2.gz GBOZQUSIHITXML-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228172 1298367523 /nfs/dbraw/zinc/36/75/23/1298367523.db2.gz GBOZQUSIHITXML-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229112 1298371488 /nfs/dbraw/zinc/37/14/88/1298371488.db2.gz HJAAUAKCLMLFOI-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229112 1298371499 /nfs/dbraw/zinc/37/14/99/1298371499.db2.gz HJAAUAKCLMLFOI-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO [NH3+][C@H]1CCN(C2CCN(Cc3c[nH]c4cccc(Cl)c34)CC2)C1 ZINC001236616823 1313498185 /nfs/dbraw/zinc/49/81/85/1313498185.db2.gz PHKBQDLPXAPFMA-AWEZNQCLSA-N 1 3 332.879 2.819 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(CCOC(=O)c2ccccc2)CC1 ZINC001206745346 1313501131 /nfs/dbraw/zinc/50/11/31/1313501131.db2.gz VBTTZZQRVMNBPQ-UHFFFAOYSA-N 1 3 338.451 2.836 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245990 1298408937 /nfs/dbraw/zinc/40/89/37/1298408937.db2.gz DFXZKDOCYWXJDZ-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245990 1298408940 /nfs/dbraw/zinc/40/89/40/1298408940.db2.gz DFXZKDOCYWXJDZ-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245987 1298409268 /nfs/dbraw/zinc/40/92/68/1298409268.db2.gz DFXZKDOCYWXJDZ-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245987 1298409277 /nfs/dbraw/zinc/40/92/77/1298409277.db2.gz DFXZKDOCYWXJDZ-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccc(O[C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC001236662904 1313504647 /nfs/dbraw/zinc/50/46/47/1313504647.db2.gz HEYKFLLCMFDOHK-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262820 1298446569 /nfs/dbraw/zinc/44/65/69/1298446569.db2.gz QCPCJOKMXSXXJL-VQTJNVASSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262820 1298446575 /nfs/dbraw/zinc/44/65/75/1298446575.db2.gz QCPCJOKMXSXXJL-VQTJNVASSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001211282579 1314469115 /nfs/dbraw/zinc/46/91/15/1314469115.db2.gz BVSPEBFCZYSSFT-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CCOC(=O)c1ccc2c(CN3C[C@@H](C[NH3+])CC[C@H]3C)c[nH]c2c1 ZINC001206811430 1313514975 /nfs/dbraw/zinc/51/49/75/1313514975.db2.gz UMDOYPJGGGFFEI-ZIAGYGMSSA-N 1 3 329.444 2.904 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211282479 1314469173 /nfs/dbraw/zinc/46/91/73/1314469173.db2.gz ATSKJIGLUFADPA-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276496965 1313520320 /nfs/dbraw/zinc/52/03/20/1313520320.db2.gz OECNXLIVEXSYDR-FYQPLNBISA-N 1 3 343.515 2.526 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001276496965 1313520323 /nfs/dbraw/zinc/52/03/23/1313520323.db2.gz OECNXLIVEXSYDR-FYQPLNBISA-N 1 3 343.515 2.526 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017766785 1313517956 /nfs/dbraw/zinc/51/79/56/1313517956.db2.gz CONCDWNGTVWKIS-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961343341 1298583690 /nfs/dbraw/zinc/58/36/90/1298583690.db2.gz VYCWOLWHBUMXNF-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961343341 1298583696 /nfs/dbraw/zinc/58/36/96/1298583696.db2.gz VYCWOLWHBUMXNF-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961375847 1298643862 /nfs/dbraw/zinc/64/38/62/1298643862.db2.gz QZSQKQHAERFAPH-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961375847 1298643869 /nfs/dbraw/zinc/64/38/69/1298643869.db2.gz QZSQKQHAERFAPH-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO c1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CCNCC3)ccnc2c1 ZINC000903980767 1313531324 /nfs/dbraw/zinc/53/13/24/1313531324.db2.gz ZJYYXIWGSRZQCZ-KDURUIRLSA-N 1 3 336.483 2.635 20 0 EFADHO c1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CCNCC3)ccnc2c1 ZINC000903980767 1313531327 /nfs/dbraw/zinc/53/13/27/1313531327.db2.gz ZJYYXIWGSRZQCZ-KDURUIRLSA-N 1 3 336.483 2.635 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961409966 1298705148 /nfs/dbraw/zinc/70/51/48/1298705148.db2.gz DHXDRMMDXIQJRD-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961409966 1298705156 /nfs/dbraw/zinc/70/51/56/1298705156.db2.gz DHXDRMMDXIQJRD-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000961410793 1298705889 /nfs/dbraw/zinc/70/58/89/1298705889.db2.gz IVENEPAUTIMEEI-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000961410793 1298705894 /nfs/dbraw/zinc/70/58/94/1298705894.db2.gz IVENEPAUTIMEEI-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961413333 1298709302 /nfs/dbraw/zinc/70/93/02/1298709302.db2.gz YWWUBUOPDWRPCE-QUCCMNQESA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961413333 1298709312 /nfs/dbraw/zinc/70/93/12/1298709312.db2.gz YWWUBUOPDWRPCE-QUCCMNQESA-N 1 3 349.563 2.935 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961413910 1298710584 /nfs/dbraw/zinc/71/05/84/1298710584.db2.gz GZFXVFBGMXAVLP-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961413910 1298710593 /nfs/dbraw/zinc/71/05/93/1298710593.db2.gz GZFXVFBGMXAVLP-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000961416482 1298715728 /nfs/dbraw/zinc/71/57/28/1298715728.db2.gz MPAJTWHBJWOGPI-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000961416482 1298715736 /nfs/dbraw/zinc/71/57/36/1298715736.db2.gz MPAJTWHBJWOGPI-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001206890258 1313540566 /nfs/dbraw/zinc/54/05/66/1313540566.db2.gz IXJQPVRUJMNYRU-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001206890301 1313540591 /nfs/dbraw/zinc/54/05/91/1313540591.db2.gz KTDOSHMIPAZIPX-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001490300799 1298721863 /nfs/dbraw/zinc/72/18/63/1298721863.db2.gz MOEWEKNVCVVJEQ-FUHWJXTLSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001490300799 1298721876 /nfs/dbraw/zinc/72/18/76/1298721876.db2.gz MOEWEKNVCVVJEQ-FUHWJXTLSA-N 1 3 341.515 2.970 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001206890410 1313541176 /nfs/dbraw/zinc/54/11/76/1313541176.db2.gz QEOMLQIIBJXVSM-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CCc2ccc(C)cc2)CC1 ZINC001206890507 1313541200 /nfs/dbraw/zinc/54/12/00/1313541200.db2.gz VPLSHDOMVZZQKQ-UHFFFAOYSA-N 1 3 345.531 2.708 20 0 EFADHO O=C(OCc1ccccc1)[C@H]1CCCN(CC2(F)CC[NH2+]CC2)C1 ZINC001236850027 1313541876 /nfs/dbraw/zinc/54/18/76/1313541876.db2.gz IYIFWWMFKPXREY-KRWDZBQOSA-N 1 3 334.435 2.534 20 0 EFADHO c1nc2n(c1CN1CCC[C@H](CCc3ccccc3)C1)CC[NH2+]CC2 ZINC001236950256 1313559939 /nfs/dbraw/zinc/55/99/39/1313559939.db2.gz KJNZPOGMZNZXQO-LJQANCHMSA-N 1 3 338.499 2.874 20 0 EFADHO COC(=O)c1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)ccc1O ZINC001236962477 1313562067 /nfs/dbraw/zinc/56/20/67/1313562067.db2.gz ZBRYZLORZYPZEP-UHFFFAOYSA-N 1 3 346.471 2.781 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]CCCF)CC2)c1 ZINC001206950360 1313567988 /nfs/dbraw/zinc/56/79/88/1313567988.db2.gz NIDFAKSZJOXIGY-UHFFFAOYSA-N 1 3 335.467 2.550 20 0 EFADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206948907 1313566651 /nfs/dbraw/zinc/56/66/51/1313566651.db2.gz INWVCKJUJWJFEZ-INIZCTEOSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001206951290 1313568696 /nfs/dbraw/zinc/56/86/96/1313568696.db2.gz JCPPBULJTFBSAM-YHYXMXQVSA-N 1 3 349.906 2.943 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001206953508 1313569363 /nfs/dbraw/zinc/56/93/63/1313569363.db2.gz OGAUWWVELLEQIB-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953399 1313569661 /nfs/dbraw/zinc/56/96/61/1313569661.db2.gz IJKRUIGMZXRRQK-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cc1F ZINC001206954248 1313569936 /nfs/dbraw/zinc/56/99/36/1313569936.db2.gz ATENAPJFFDGAHJ-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954655 1313570317 /nfs/dbraw/zinc/57/03/17/1313570317.db2.gz QUWIRWKICLTZSE-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001206954834 1313571022 /nfs/dbraw/zinc/57/10/22/1313571022.db2.gz ZQWHXCFIIPSTQZ-QGZVFWFLSA-N 1 3 331.504 2.916 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222262 1299026637 /nfs/dbraw/zinc/02/66/37/1299026637.db2.gz PTSJOACGKZOWGQ-INIZCTEOSA-N 1 3 344.503 2.703 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222262 1299026647 /nfs/dbraw/zinc/02/66/47/1299026647.db2.gz PTSJOACGKZOWGQ-INIZCTEOSA-N 1 3 344.503 2.703 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490666863 1299064245 /nfs/dbraw/zinc/06/42/45/1299064245.db2.gz AGNFXFJAPWJNPR-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001490668692 1299065460 /nfs/dbraw/zinc/06/54/60/1299065460.db2.gz RNSZBQWCKXZDNS-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110615290 1299106898 /nfs/dbraw/zinc/10/68/98/1299106898.db2.gz MMDQKWZYAWQYDF-SKQBWLADSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110615290 1299106905 /nfs/dbraw/zinc/10/69/05/1299106905.db2.gz MMDQKWZYAWQYDF-SKQBWLADSA-N 1 3 339.499 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961827797 1299144047 /nfs/dbraw/zinc/14/40/47/1299144047.db2.gz CXPKKFGTIYYHRZ-VMWRSERWSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000961829473 1299145297 /nfs/dbraw/zinc/14/52/97/1299145297.db2.gz PDUNGIAWNKWSEG-LYBXBRPPSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]1Cc2cccc(Br)c2CN1CC[C@@H]1C[NH2+]CCO1 ZINC001237192719 1313602123 /nfs/dbraw/zinc/60/21/23/1313602123.db2.gz YJODRVZPWSRFTO-GXTWGEPZSA-N 1 3 339.277 2.574 20 0 EFADHO CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001490772821 1299225844 /nfs/dbraw/zinc/22/58/44/1299225844.db2.gz SRXOQGCJARYXHR-QGZVFWFLSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001490772821 1299225856 /nfs/dbraw/zinc/22/58/56/1299225856.db2.gz SRXOQGCJARYXHR-QGZVFWFLSA-N 1 3 325.541 2.791 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)C/C=C/Cl)C2)CC1 ZINC001490773475 1299228806 /nfs/dbraw/zinc/22/88/06/1299228806.db2.gz GSEHJEVSMBKEHU-IOMDMTNGSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001490773475 1299228816 /nfs/dbraw/zinc/22/88/16/1299228816.db2.gz GSEHJEVSMBKEHU-IOMDMTNGSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCCC1 ZINC000961956319 1299272322 /nfs/dbraw/zinc/27/23/22/1299272322.db2.gz HSQVUFLLCZWITF-GDAAHCPNSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCCC1 ZINC000961956319 1299272328 /nfs/dbraw/zinc/27/23/28/1299272328.db2.gz HSQVUFLLCZWITF-GDAAHCPNSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957424 1299272984 /nfs/dbraw/zinc/27/29/84/1299272984.db2.gz LFQQKWZAOKAJQD-LMCOJAPRSA-N 1 3 345.531 2.798 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957424 1299272997 /nfs/dbraw/zinc/27/29/97/1299272997.db2.gz LFQQKWZAOKAJQD-LMCOJAPRSA-N 1 3 345.531 2.798 20 0 EFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2ccsc2)CC1 ZINC000851863249 1299440045 /nfs/dbraw/zinc/44/00/45/1299440045.db2.gz LURRWNDIELFLKZ-UHFFFAOYSA-N 1 3 349.544 2.952 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000851913370 1299464095 /nfs/dbraw/zinc/46/40/95/1299464095.db2.gz WFJLKNDJLMJZAC-XKGZKEIXSA-N 1 3 325.456 2.615 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccccn1 ZINC000851945652 1299478209 /nfs/dbraw/zinc/47/82/09/1299478209.db2.gz BKDFIXYEENUYKA-POAQFYNOSA-N 1 3 325.456 2.615 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)c1ccccn1 ZINC000851945652 1299478215 /nfs/dbraw/zinc/47/82/15/1299478215.db2.gz BKDFIXYEENUYKA-POAQFYNOSA-N 1 3 325.456 2.615 20 0 EFADHO CN(CCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852104985 1299549254 /nfs/dbraw/zinc/54/92/54/1299549254.db2.gz HOYACYDJPZLOGP-GOSISDBHSA-N 1 3 325.497 2.661 20 0 EFADHO CN(CCC[N@H+]1CCC[C@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852104985 1299549263 /nfs/dbraw/zinc/54/92/63/1299549263.db2.gz HOYACYDJPZLOGP-GOSISDBHSA-N 1 3 325.497 2.661 20 0 EFADHO CCc1cccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000962304632 1299562833 /nfs/dbraw/zinc/56/28/33/1299562833.db2.gz ADWRURKXPZRWSN-PBPGXSGUSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000962305251 1299565533 /nfs/dbraw/zinc/56/55/33/1299565533.db2.gz FGYOFYWTCCGCBF-ZJRDLVKKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccccc2Cl)C1 ZINC000962305660 1299566755 /nfs/dbraw/zinc/56/67/55/1299566755.db2.gz KCBRUAYKWPBBSN-UQPPLGOBSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000962306673 1299567742 /nfs/dbraw/zinc/56/77/42/1299567742.db2.gz PXFNPPHSINSPTE-VIQWUECVSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000962307369 1299569370 /nfs/dbraw/zinc/56/93/70/1299569370.db2.gz QYAJTQZHQWCKOA-KLHKWILBSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000962308236 1299570092 /nfs/dbraw/zinc/57/00/92/1299570092.db2.gz CQGRBGAINVYINK-VNCLNFNDSA-N 1 3 343.515 2.630 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]CC3CCCCC3)C2)C1 ZINC000962311505 1299573516 /nfs/dbraw/zinc/57/35/16/1299573516.db2.gz KRJBOLIKBDKWBT-UHFFFAOYSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+]1CCCCCC1 ZINC001018025096 1313646949 /nfs/dbraw/zinc/64/69/49/1313646949.db2.gz FLYWGYIXNGWTCE-KPZODNFCSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001207262947 1313647831 /nfs/dbraw/zinc/64/78/31/1313647831.db2.gz NEICDXBZWJMVLV-BPQIPLTHSA-N 1 3 339.499 2.603 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001207262947 1313647834 /nfs/dbraw/zinc/64/78/34/1313647834.db2.gz NEICDXBZWJMVLV-BPQIPLTHSA-N 1 3 339.499 2.603 20 0 EFADHO COC(=O)[C@H](C)C[NH+]1CCC2(CCCN(Cc3ccc[nH]3)C2)CC1 ZINC001276518368 1313648083 /nfs/dbraw/zinc/64/80/83/1313648083.db2.gz IWJZUSVKBRMHKX-MRXNPFEDSA-N 1 3 333.476 2.502 20 0 EFADHO C[N@H+](CCCN1CCCC1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207266656 1313648605 /nfs/dbraw/zinc/64/86/05/1313648605.db2.gz OBJUURGTZSTXMB-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207266656 1313648607 /nfs/dbraw/zinc/64/86/07/1313648607.db2.gz OBJUURGTZSTXMB-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001207278908 1313650132 /nfs/dbraw/zinc/65/01/32/1313650132.db2.gz GQRFUWNGQZWSNN-LSDHHAIUSA-N 1 3 325.497 2.515 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001207278908 1313650135 /nfs/dbraw/zinc/65/01/35/1313650135.db2.gz GQRFUWNGQZWSNN-LSDHHAIUSA-N 1 3 325.497 2.515 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001207280967 1313650814 /nfs/dbraw/zinc/65/08/14/1313650814.db2.gz WXZBAWFKCSZHAW-UHFFFAOYSA-N 1 3 339.487 2.527 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001207280967 1313650817 /nfs/dbraw/zinc/65/08/17/1313650817.db2.gz WXZBAWFKCSZHAW-UHFFFAOYSA-N 1 3 339.487 2.527 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001207281647 1313650994 /nfs/dbraw/zinc/65/09/94/1313650994.db2.gz HCKZKXJIGRITSM-CVEARBPZSA-N 1 3 336.549 2.627 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001207281647 1313650997 /nfs/dbraw/zinc/65/09/97/1313650997.db2.gz HCKZKXJIGRITSM-CVEARBPZSA-N 1 3 336.549 2.627 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001207280738 1313651418 /nfs/dbraw/zinc/65/14/18/1313651418.db2.gz UMCPDCZDHNEFDW-FQEVSTJZSA-N 1 3 347.478 2.842 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001207282364 1313651605 /nfs/dbraw/zinc/65/16/05/1313651605.db2.gz OIBRRWQEWOUMQK-MJGOQNOKSA-N 1 3 349.494 2.551 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018025627 1313647368 /nfs/dbraw/zinc/64/73/68/1313647368.db2.gz HKHNHSOWDHISEW-AKHDSKFASA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018025627 1313647371 /nfs/dbraw/zinc/64/73/71/1313647371.db2.gz HKHNHSOWDHISEW-AKHDSKFASA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001018025627 1313647375 /nfs/dbraw/zinc/64/73/75/1313647375.db2.gz HKHNHSOWDHISEW-AKHDSKFASA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001018025627 1313647378 /nfs/dbraw/zinc/64/73/78/1313647378.db2.gz HKHNHSOWDHISEW-AKHDSKFASA-N 1 3 335.536 2.971 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001207282362 1313652077 /nfs/dbraw/zinc/65/20/77/1313652077.db2.gz OIBRRWQEWOUMQK-HKUYNNGSSA-N 1 3 349.494 2.551 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001207282677 1313652327 /nfs/dbraw/zinc/65/23/27/1313652327.db2.gz UOMQGRPQIFJQRT-FXAWDEMLSA-N 1 3 347.503 2.672 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001207282677 1313652329 /nfs/dbraw/zinc/65/23/29/1313652329.db2.gz UOMQGRPQIFJQRT-FXAWDEMLSA-N 1 3 347.503 2.672 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001207284896 1313652464 /nfs/dbraw/zinc/65/24/64/1313652464.db2.gz STVGMZIRVJWDKR-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001207286312 1313652737 /nfs/dbraw/zinc/65/27/37/1313652737.db2.gz QWLOFZZSHXVZKS-UHFFFAOYSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001207286312 1313652740 /nfs/dbraw/zinc/65/27/40/1313652740.db2.gz QWLOFZZSHXVZKS-UHFFFAOYSA-N 1 3 339.524 2.907 20 0 EFADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc2c(s1)CCNC2 ZINC000852814206 1299898367 /nfs/dbraw/zinc/89/83/67/1299898367.db2.gz SGSLOZXDVIHVGS-UHFFFAOYSA-N 1 3 347.528 2.921 20 0 EFADHO NC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC2(CCC2)C1 ZINC000852862495 1299917388 /nfs/dbraw/zinc/91/73/88/1299917388.db2.gz GNDJGWAOFQENLT-UHFFFAOYSA-N 1 3 333.520 2.809 20 0 EFADHO C[NH+]1CCC2(CN(C[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207318156 1313658193 /nfs/dbraw/zinc/65/81/93/1313658193.db2.gz JXSYMXSHMTUUOP-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051822 1313659656 /nfs/dbraw/zinc/65/96/56/1313659656.db2.gz JBGYXCNJRSUKMK-OKYOBFRVSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051822 1313659658 /nfs/dbraw/zinc/65/96/58/1313659658.db2.gz JBGYXCNJRSUKMK-OKYOBFRVSA-N 1 3 333.520 2.725 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1 ZINC000962808665 1300086912 /nfs/dbraw/zinc/08/69/12/1300086912.db2.gz LRVSETNMTKYPPD-MHJFOBGBSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962809795 1300087872 /nfs/dbraw/zinc/08/78/72/1300087872.db2.gz VBQOAQGAWXOMQK-OFLPRAFFSA-N 1 3 335.517 2.607 20 0 EFADHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001278125153 1313681395 /nfs/dbraw/zinc/68/13/95/1313681395.db2.gz LOVPDDKNHSREOF-OAHLLOKOSA-N 1 3 347.507 2.571 20 0 EFADHO COC[C@H]1CN(CC2CC[NH2+]CC2)Cc2cn(CC3CCCC3)nc21 ZINC001207435684 1313683389 /nfs/dbraw/zinc/68/33/89/1313683389.db2.gz KJZCYDUSJOQKTK-LJQANCHMSA-N 1 3 346.519 2.619 20 0 EFADHO C[NH+]1CCC(CCN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001207483257 1313697467 /nfs/dbraw/zinc/69/74/67/1313697467.db2.gz JBGKZPVUOHYFRW-DLBZAZTESA-N 1 3 333.501 2.660 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC3CCC3)C2)CCC1 ZINC000963314565 1300579125 /nfs/dbraw/zinc/57/91/25/1300579125.db2.gz NGTQFZKDBZKIBB-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC3CCC3)C2)CCC1 ZINC000963314565 1300579134 /nfs/dbraw/zinc/57/91/34/1300579134.db2.gz NGTQFZKDBZKIBB-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCCF)C1)C1CCC1 ZINC000963315229 1300581187 /nfs/dbraw/zinc/58/11/87/1300581187.db2.gz RTGHHQRZSQDWHX-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCCF)C1)C1CCC1 ZINC000963315229 1300581196 /nfs/dbraw/zinc/58/11/96/1300581196.db2.gz RTGHHQRZSQDWHX-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384596 1300743063 /nfs/dbraw/zinc/74/30/63/1300743063.db2.gz VNHLQWSFSSNEFS-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384596 1300743064 /nfs/dbraw/zinc/74/30/64/1300743064.db2.gz VNHLQWSFSSNEFS-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018155496 1313716905 /nfs/dbraw/zinc/71/69/05/1313716905.db2.gz SXBQDMSCYPCBQB-FFZOFVMBSA-N 1 3 347.547 2.830 20 0 EFADHO C[N@@H+](Cc1c[nH]ccc1=O)CC1CCN(Cc2ccccc2)CC1 ZINC001237850422 1313720304 /nfs/dbraw/zinc/72/03/04/1313720304.db2.gz ZMKJMYJXUWYCBG-UHFFFAOYSA-N 1 3 325.456 2.719 20 0 EFADHO C[N@H+](Cc1c[nH]ccc1=O)CC1CCN(Cc2ccccc2)CC1 ZINC001237850422 1313720307 /nfs/dbraw/zinc/72/03/07/1313720307.db2.gz ZMKJMYJXUWYCBG-UHFFFAOYSA-N 1 3 325.456 2.719 20 0 EFADHO CC[NH+](CC)CCCN1CCN(CCCc2ccc(OC)cc2)CC1 ZINC001207583023 1313724007 /nfs/dbraw/zinc/72/40/07/1313724007.db2.gz XAXMGRXKGSVMIQ-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000776804241 1300911291 /nfs/dbraw/zinc/91/12/91/1300911291.db2.gz DUHYTZFCWVPNFJ-YLJYHZDGSA-N 1 3 330.520 2.971 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000776804241 1300911297 /nfs/dbraw/zinc/91/12/97/1300911297.db2.gz DUHYTZFCWVPNFJ-YLJYHZDGSA-N 1 3 330.520 2.971 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001207609412 1313728809 /nfs/dbraw/zinc/72/88/09/1313728809.db2.gz ACBOJDPRBOQOQB-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001207609412 1313728811 /nfs/dbraw/zinc/72/88/11/1313728811.db2.gz ACBOJDPRBOQOQB-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641623 1313737804 /nfs/dbraw/zinc/73/78/04/1313737804.db2.gz WHKWOXFFVNTAMH-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641623 1313737805 /nfs/dbraw/zinc/73/78/05/1313737805.db2.gz WHKWOXFFVNTAMH-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO C[C@@H](C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1)CC(F)(F)F ZINC001278184335 1313755427 /nfs/dbraw/zinc/75/54/27/1313755427.db2.gz MDWZWTSQMJFMQQ-OAHLLOKOSA-N 1 3 344.425 2.869 20 0 EFADHO c1ccn(CCC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001278189127 1313763223 /nfs/dbraw/zinc/76/32/23/1313763223.db2.gz LTEVDORMUHJUAT-UHFFFAOYSA-N 1 3 327.476 2.589 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001207758161 1313766620 /nfs/dbraw/zinc/76/66/20/1313766620.db2.gz UUUPYROCYUEWRP-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001207758161 1313766622 /nfs/dbraw/zinc/76/66/22/1313766622.db2.gz UUUPYROCYUEWRP-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963902224 1301452731 /nfs/dbraw/zinc/45/27/31/1301452731.db2.gz HXTLNZXJYJDCGT-LADRWXRNSA-N 1 3 341.515 2.967 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CCC([NH2+]CCC2CC2)CC1 ZINC000963902190 1301452913 /nfs/dbraw/zinc/45/29/13/1301452913.db2.gz GTDQYFRYFQBCMB-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963902599 1301453745 /nfs/dbraw/zinc/45/37/45/1301453745.db2.gz NRTTZCGTZXYIGK-RJYAGPCLSA-N 1 3 341.515 2.968 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC000963954466 1301514870 /nfs/dbraw/zinc/51/48/70/1301514870.db2.gz AETCOCJPVGSWNX-UHFFFAOYSA-N 1 3 332.492 2.892 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC000963954484 1301514895 /nfs/dbraw/zinc/51/48/95/1301514895.db2.gz AXPATCFGPJZOGP-UHFFFAOYSA-N 1 3 340.471 2.820 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904535 1301567207 /nfs/dbraw/zinc/56/72/07/1301567207.db2.gz HILSFMKCFDHQMD-WBMJQRKESA-N 1 3 339.277 2.556 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904535 1301567216 /nfs/dbraw/zinc/56/72/16/1301567216.db2.gz HILSFMKCFDHQMD-WBMJQRKESA-N 1 3 339.277 2.556 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Br)c1 ZINC000037904535 1301567226 /nfs/dbraw/zinc/56/72/26/1301567226.db2.gz HILSFMKCFDHQMD-WBMJQRKESA-N 1 3 339.277 2.556 20 0 EFADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502469 1301658279 /nfs/dbraw/zinc/65/82/79/1301658279.db2.gz CWHSVOZIEFMHMO-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000796454841 1301698561 /nfs/dbraw/zinc/69/85/61/1301698561.db2.gz SGWVYMSQHLTLQZ-DFNIBXOVSA-N 1 3 344.503 2.638 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000796454841 1301698569 /nfs/dbraw/zinc/69/85/69/1301698569.db2.gz SGWVYMSQHLTLQZ-DFNIBXOVSA-N 1 3 344.503 2.638 20 0 EFADHO COc1cccc([C@H](O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)c1 ZINC000860138023 1301721235 /nfs/dbraw/zinc/72/12/35/1301721235.db2.gz KPHJJFYVDOHWKR-UYAOXDASSA-N 1 3 332.488 2.925 20 0 EFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207853506 1313789532 /nfs/dbraw/zinc/78/95/32/1313789532.db2.gz QHWIZZZOAXSZKA-IBGZPJMESA-N 1 3 329.488 2.937 20 0 EFADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202504245 1301769844 /nfs/dbraw/zinc/76/98/44/1301769844.db2.gz SDHDJCPFWCFOQL-RDTXWAMCSA-N 1 3 345.478 2.528 20 0 EFADHO O=C(C1CC[NH+](C2CCN(CCC3CC3)CC2)CC1)N1CCCCO1 ZINC001278213002 1313794618 /nfs/dbraw/zinc/79/46/18/1313794618.db2.gz GVPLADBQDVDDGR-UHFFFAOYSA-N 1 3 349.519 2.517 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001018303023 1313802172 /nfs/dbraw/zinc/80/21/72/1313802172.db2.gz UZHOOYAOLIHCBT-PBWTXFEYSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC001018303023 1313802174 /nfs/dbraw/zinc/80/21/74/1313802174.db2.gz UZHOOYAOLIHCBT-PBWTXFEYSA-N 1 3 335.536 2.971 20 0 EFADHO CC1(C)OC[C@H](C[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)O1 ZINC001207926874 1313804319 /nfs/dbraw/zinc/80/43/19/1313804319.db2.gz HDQVLDNXONWVBS-SFHVURJKSA-N 1 3 345.487 2.521 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C[C@H]4COC(C)(C)O4)C[C@H]3C2)cc1 ZINC001207923149 1313803413 /nfs/dbraw/zinc/80/34/13/1313803413.db2.gz FMBIPKBKQQVDDP-QRVBRYPASA-N 1 3 330.472 2.510 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)N1CCCC1 ZINC001037056138 1302072863 /nfs/dbraw/zinc/07/28/63/1302072863.db2.gz BVBBBHCUNJPREA-RTBURBONSA-N 1 3 343.515 2.936 20 0 EFADHO COc1ccc2c(CN3CCC(CC[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000118868521 1302330940 /nfs/dbraw/zinc/33/09/40/1302330940.db2.gz DTTJUMSARJEUGK-UHFFFAOYSA-N 1 3 344.455 2.965 20 0 EFADHO CSc1cc(C)cc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001238684318 1313853838 /nfs/dbraw/zinc/85/38/38/1313853838.db2.gz VPHBACDCRIJQRM-RBUKOAKNSA-N 1 3 333.545 2.927 20 0 EFADHO CSc1cc(C)cc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1 ZINC001238684318 1313853840 /nfs/dbraw/zinc/85/38/40/1313853840.db2.gz VPHBACDCRIJQRM-RBUKOAKNSA-N 1 3 333.545 2.927 20 0 EFADHO C[NH+]1CCC(C)(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208113459 1313850333 /nfs/dbraw/zinc/85/03/33/1313850333.db2.gz JECQYELYPGHQJK-CABCVRRESA-N 1 3 343.487 2.655 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184087 1313863518 /nfs/dbraw/zinc/86/35/18/1313863518.db2.gz IMCBKKQXYXTSBQ-UKRRQHHQSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@@H](F)[C@@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184087 1313863520 /nfs/dbraw/zinc/86/35/20/1313863520.db2.gz IMCBKKQXYXTSBQ-UKRRQHHQSA-N 1 3 340.405 2.836 20 0 EFADHO COc1ccnc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)c1 ZINC001208189034 1313865134 /nfs/dbraw/zinc/86/51/34/1313865134.db2.gz PONSTZVSFNFGIV-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO COc1ccnc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)c1 ZINC001208189034 1313865137 /nfs/dbraw/zinc/86/51/37/1313865137.db2.gz PONSTZVSFNFGIV-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO Cc1cnc(OC2CC[NH+](CC3(CN(C)C)CCCC3)CC2)nc1 ZINC001208189515 1313865235 /nfs/dbraw/zinc/86/52/35/1313865235.db2.gz UMRUQKOIAFQRQI-UHFFFAOYSA-N 1 3 332.492 2.750 20 0 EFADHO COc1cc(C)c(C)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238765517 1313865567 /nfs/dbraw/zinc/86/55/67/1313865567.db2.gz DPUKLLBWRZFUQF-UHFFFAOYSA-N 1 3 345.531 2.771 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CC(C)(C)C2)C3)C1 ZINC000965061970 1302782847 /nfs/dbraw/zinc/78/28/47/1302782847.db2.gz GHILUWYYIUJHIA-DINHVVTCSA-N 1 3 347.547 2.781 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCCC2)C3)C1 ZINC000965062066 1302784231 /nfs/dbraw/zinc/78/42/31/1302784231.db2.gz GVEZGDAYOOIDDA-WIOLVWRCSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2=CCCCC2)C3)C1 ZINC000965065007 1302788003 /nfs/dbraw/zinc/78/80/03/1302788003.db2.gz SUUMIURQLUCTRE-WOLZCAMPSA-N 1 3 345.531 2.846 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000120173624 1303023965 /nfs/dbraw/zinc/02/39/65/1303023965.db2.gz CIVJKYQCGOMISM-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000120173624 1303023969 /nfs/dbraw/zinc/02/39/69/1303023969.db2.gz CIVJKYQCGOMISM-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208361181 1313911189 /nfs/dbraw/zinc/91/11/89/1313911189.db2.gz BNEUXUOGLWOYLJ-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208361181 1313911192 /nfs/dbraw/zinc/91/11/92/1313911192.db2.gz BNEUXUOGLWOYLJ-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097219116 1313914806 /nfs/dbraw/zinc/91/48/06/1313914806.db2.gz TYRPGYZEVBDQOA-AKHDSKFASA-N 1 3 333.520 2.915 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097219116 1313914808 /nfs/dbraw/zinc/91/48/08/1313914808.db2.gz TYRPGYZEVBDQOA-AKHDSKFASA-N 1 3 333.520 2.915 20 0 EFADHO CC(C)(C)c1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239216101 1313914932 /nfs/dbraw/zinc/91/49/32/1313914932.db2.gz MTEBZNTYUPWJPI-QGZVFWFLSA-N 1 3 344.503 2.980 20 0 EFADHO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239216095 1313914985 /nfs/dbraw/zinc/91/49/85/1313914985.db2.gz MTEBZNTYUPWJPI-KRWDZBQOSA-N 1 3 344.503 2.980 20 0 EFADHO CCc1cccc(C)c1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217051 1313915070 /nfs/dbraw/zinc/91/50/70/1313915070.db2.gz QQVUDTAWCHYSDL-MRXNPFEDSA-N 1 3 330.476 2.553 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239217853 1313915202 /nfs/dbraw/zinc/91/52/02/1313915202.db2.gz UYPBPAAUHYDLAO-CQSZACIVSA-N 1 3 336.867 2.644 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000965933050 1303466466 /nfs/dbraw/zinc/46/64/66/1303466466.db2.gz KMYHRRCQIKKRML-PRYZXDJCSA-N 1 3 347.547 2.924 20 0 EFADHO Cc1c(Cl)cccc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213738 1313914536 /nfs/dbraw/zinc/91/45/36/1313914536.db2.gz DWUMJADSHWNVPQ-CYBMUJFWSA-N 1 3 336.867 2.644 20 0 EFADHO Cc1ccc(NC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001239307467 1313923966 /nfs/dbraw/zinc/92/39/66/1313923966.db2.gz CSOUSIWBMORDEI-OAHLLOKOSA-N 1 3 338.883 2.796 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001239308265 1313924004 /nfs/dbraw/zinc/92/40/04/1313924004.db2.gz VVHRRNWKYJXLHF-HNNXBMFYSA-N 1 3 338.883 2.796 20 0 EFADHO CCCC[C@H](CC)COC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001239340033 1313926859 /nfs/dbraw/zinc/92/68/59/1313926859.db2.gz IQFWVSBPBMJMHG-DLBZAZTESA-N 1 3 327.513 2.955 20 0 EFADHO CC(C)c1ccc(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239364223 1313929648 /nfs/dbraw/zinc/92/96/48/1313929648.db2.gz UGGLOGSFNYXAMU-QGZVFWFLSA-N 1 3 346.544 2.971 20 0 EFADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1 ZINC001239364243 1313929704 /nfs/dbraw/zinc/92/97/04/1313929704.db2.gz USZSEYZZSAGFDF-CQSZACIVSA-N 1 3 338.908 2.501 20 0 EFADHO CCc1cccc(C)c1NC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364290 1313929775 /nfs/dbraw/zinc/92/97/75/1313929775.db2.gz YUYUMXSSLGYLNX-MRXNPFEDSA-N 1 3 346.544 2.718 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001208446786 1313930225 /nfs/dbraw/zinc/93/02/25/1313930225.db2.gz BSQZAUCAMWGQEA-SFHVURJKSA-N 1 3 331.504 2.540 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CNC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000866555632 1303682163 /nfs/dbraw/zinc/68/21/63/1303682163.db2.gz SVSAGUTVKJNBEK-OAQYLSRUSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@H](C[NH2+]C3CCN(C(C)C)CC3)C2)c1 ZINC000866555632 1303682168 /nfs/dbraw/zinc/68/21/68/1303682168.db2.gz SVSAGUTVKJNBEK-OAQYLSRUSA-N 1 3 345.531 2.658 20 0 EFADHO CN(CCC[NH3+])CCCNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001239376303 1313931267 /nfs/dbraw/zinc/93/12/67/1313931267.db2.gz UJYUIHZEKUSPGC-UHFFFAOYSA-N 1 3 349.331 2.951 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001037852495 1303704712 /nfs/dbraw/zinc/70/47/12/1303704712.db2.gz MEMZFQQHJKETPB-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001208453057 1313932661 /nfs/dbraw/zinc/93/26/61/1313932661.db2.gz AAEKNTVHKVGRLQ-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001208453893 1313933098 /nfs/dbraw/zinc/93/30/98/1313933098.db2.gz QXRGGSYYZVROEL-QGZVFWFLSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001037861381 1303758459 /nfs/dbraw/zinc/75/84/59/1303758459.db2.gz REZVAEHZGHIKGE-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001037861384 1303758933 /nfs/dbraw/zinc/75/89/33/1303758933.db2.gz REZVAEHZGHIKGE-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001037861424 1303759148 /nfs/dbraw/zinc/75/91/48/1303759148.db2.gz RIJRDTPKXBQGRY-QUCCMNQESA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001037861418 1303759184 /nfs/dbraw/zinc/75/91/84/1303759184.db2.gz RIJRDTPKXBQGRY-AZUAARDMSA-N 1 3 343.515 2.888 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1c(F)cccc1N1CCCC1 ZINC000150975031 1303975674 /nfs/dbraw/zinc/97/56/74/1303975674.db2.gz PDGGHOALMQXQFK-MRXNPFEDSA-N 1 3 337.483 2.872 20 0 EFADHO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208527178 1313952708 /nfs/dbraw/zinc/95/27/08/1313952708.db2.gz JOMIKGSKSCQJDU-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208527178 1313952709 /nfs/dbraw/zinc/95/27/09/1313952709.db2.gz JOMIKGSKSCQJDU-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412283 1304150638 /nfs/dbraw/zinc/15/06/38/1304150638.db2.gz UVWCKFWGDRXDHP-XJRBWHPUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412283 1304150642 /nfs/dbraw/zinc/15/06/42/1304150642.db2.gz UVWCKFWGDRXDHP-XJRBWHPUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276569420 1313967142 /nfs/dbraw/zinc/96/71/42/1313967142.db2.gz BNPLIJFNIUWWRD-LJQANCHMSA-N 1 3 327.476 2.843 20 0 EFADHO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276569420 1313967144 /nfs/dbraw/zinc/96/71/44/1313967144.db2.gz BNPLIJFNIUWWRD-LJQANCHMSA-N 1 3 327.476 2.843 20 0 EFADHO CC[NH+]1CCC(CN2CCN(Cc3ccccc3OC)CC2)CC1 ZINC001208600397 1313973139 /nfs/dbraw/zinc/97/31/39/1313973139.db2.gz QMGAVAZVAIORPL-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1 ZINC001208607563 1313977702 /nfs/dbraw/zinc/97/77/02/1313977702.db2.gz CRKNLNGGFMMJLX-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1 ZINC001208607563 1313977704 /nfs/dbraw/zinc/97/77/04/1313977704.db2.gz CRKNLNGGFMMJLX-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C[C@H]4CCC[N@@H+](C)C4)C3)CC2=O)s1 ZINC001208611502 1313978813 /nfs/dbraw/zinc/97/88/13/1313978813.db2.gz DSFUASHQRWTCOQ-LPHOPBHVSA-N 1 3 347.528 2.827 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C[C@H]4CCC[N@H+](C)C4)C3)CC2=O)s1 ZINC001208611502 1313978816 /nfs/dbraw/zinc/97/88/16/1313978816.db2.gz DSFUASHQRWTCOQ-LPHOPBHVSA-N 1 3 347.528 2.827 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612697 1313979335 /nfs/dbraw/zinc/97/93/35/1313979335.db2.gz JIHZMUKKNGRVHE-QFBILLFUSA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612697 1313979339 /nfs/dbraw/zinc/97/93/39/1313979339.db2.gz JIHZMUKKNGRVHE-QFBILLFUSA-N 1 3 347.528 2.909 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 ZINC001208605253 1313975208 /nfs/dbraw/zinc/97/52/08/1313975208.db2.gz BFEPFDAUSDORJR-GPMSIDNRSA-N 1 3 337.508 2.707 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3CCC[C@@]3(NC(=O)OC(C)(C)C)C2)C1 ZINC001208605253 1313975211 /nfs/dbraw/zinc/97/52/11/1313975211.db2.gz BFEPFDAUSDORJR-GPMSIDNRSA-N 1 3 337.508 2.707 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619108 1313982893 /nfs/dbraw/zinc/98/28/93/1313982893.db2.gz VQPXBQJTMGTHLK-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619108 1313982896 /nfs/dbraw/zinc/98/28/96/1313982896.db2.gz VQPXBQJTMGTHLK-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO CCN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001208619176 1313983015 /nfs/dbraw/zinc/98/30/15/1313983015.db2.gz WGYOKJARFWILGE-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO CCN(C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001208619176 1313983019 /nfs/dbraw/zinc/98/30/19/1313983019.db2.gz WGYOKJARFWILGE-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO CC(=O)NCc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001240153424 1313996783 /nfs/dbraw/zinc/99/67/83/1313996783.db2.gz SZEWFRZVNKULBK-UHFFFAOYSA-N 1 3 337.467 2.913 20 0 EFADHO CC(C)CCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001208732373 1314005038 /nfs/dbraw/zinc/00/50/38/1314005038.db2.gz DQCGJXYLIJWGQG-UHFFFAOYSA-N 1 3 349.523 2.532 20 0 EFADHO C[C@@H]1CCN(CC2=CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206749 1304749391 /nfs/dbraw/zinc/74/93/91/1304749391.db2.gz OFTOYEDMNFCNOW-MJGOQNOKSA-N 1 3 345.531 2.942 20 0 EFADHO Cc1cnc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Br)c1 ZINC001276585099 1314006940 /nfs/dbraw/zinc/00/69/40/1314006940.db2.gz PNEICNQRFZPJLI-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO Cc1cnc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Br)c1 ZINC001276585099 1314006943 /nfs/dbraw/zinc/00/69/43/1314006943.db2.gz PNEICNQRFZPJLI-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001037931577 1304879581 /nfs/dbraw/zinc/87/95/81/1304879581.db2.gz FUSZNKWTWDUEDX-DOTOQJQBSA-N 1 3 346.500 2.739 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001037935817 1304947365 /nfs/dbraw/zinc/94/73/65/1304947365.db2.gz SHYSGNKBFQHUPB-VQIMIIECSA-N 1 3 340.471 2.678 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001037935140 1304972281 /nfs/dbraw/zinc/97/22/81/1304972281.db2.gz PEBTYLLCXABWDB-YJBOKZPZSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001037935156 1304974651 /nfs/dbraw/zinc/97/46/51/1304974651.db2.gz PSEYERLVDKQYGX-HKUYNNGSSA-N 1 3 340.471 2.678 20 0 EFADHO c1ccc(CN2CCC=C(c3cnc(O[C@@H]4CC[NH2+]C4)nc3)C2)cc1 ZINC001240388280 1314027675 /nfs/dbraw/zinc/02/76/75/1314027675.db2.gz GXYUIHNJOPTPAC-LJQANCHMSA-N 1 3 336.439 2.507 20 0 EFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240454446 1314035722 /nfs/dbraw/zinc/03/57/22/1314035722.db2.gz LXDUPDLYWXYUGZ-UHFFFAOYSA-N 1 3 338.455 2.838 20 0 EFADHO CC(C)N1CCN(c2ccc(-c3ccc4c(c3)CC[NH2+]C4)cn2)CC1 ZINC001240455537 1314035785 /nfs/dbraw/zinc/03/57/85/1314035785.db2.gz VKHKVXLEBQFDNE-UHFFFAOYSA-N 1 3 336.483 2.925 20 0 EFADHO CC(C)[C@@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)N(C)C ZINC000870182726 1305192759 /nfs/dbraw/zinc/19/27/59/1305192759.db2.gz ITXWBTGUVRGKKU-IBGZPJMESA-N 1 3 343.515 2.578 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1ccnc(C(C)(C)C)c1)C2 ZINC001276597358 1314041988 /nfs/dbraw/zinc/04/19/88/1314041988.db2.gz JNDXNOGOZHABCP-UHFFFAOYSA-N 1 3 344.547 2.839 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037953939 1305270840 /nfs/dbraw/zinc/27/08/40/1305270840.db2.gz ZQHYRMAEBZJJPE-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC000870507700 1305367633 /nfs/dbraw/zinc/36/76/33/1305367633.db2.gz WZONMZMVNDKQBC-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CCOC(=O)[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939963 1314051485 /nfs/dbraw/zinc/05/14/85/1314051485.db2.gz MLCWJSJWQYOGPH-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939963 1314051488 /nfs/dbraw/zinc/05/14/88/1314051488.db2.gz MLCWJSJWQYOGPH-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939965 1314051650 /nfs/dbraw/zinc/05/16/50/1314051650.db2.gz MLCWJSJWQYOGPH-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939965 1314051652 /nfs/dbraw/zinc/05/16/52/1314051652.db2.gz MLCWJSJWQYOGPH-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208939962 1314051823 /nfs/dbraw/zinc/05/18/23/1314051823.db2.gz MLCWJSJWQYOGPH-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939962 1314051826 /nfs/dbraw/zinc/05/18/26/1314051826.db2.gz MLCWJSJWQYOGPH-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114464257 1305415125 /nfs/dbraw/zinc/41/51/25/1305415125.db2.gz RPUIUDYZQIZEHT-XDNAFOTISA-N 1 3 335.536 2.589 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114464257 1305415139 /nfs/dbraw/zinc/41/51/39/1305415139.db2.gz RPUIUDYZQIZEHT-XDNAFOTISA-N 1 3 335.536 2.589 20 0 EFADHO COCCCN1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940642 1314053066 /nfs/dbraw/zinc/05/30/66/1314053066.db2.gz UGLLMJISKGPWTF-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO COCCCN1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940642 1314053070 /nfs/dbraw/zinc/05/30/70/1314053070.db2.gz UGLLMJISKGPWTF-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO O=C1CCC2(CCN(C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208946855 1314055748 /nfs/dbraw/zinc/05/57/48/1314055748.db2.gz XQAQJSIDAWMOGM-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=C1CCC2(CCN(C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208946855 1314055751 /nfs/dbraw/zinc/05/57/51/1314055751.db2.gz XQAQJSIDAWMOGM-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4cnsc4)C[C@H]3CC2)[nH]1 ZINC001276603987 1314058947 /nfs/dbraw/zinc/05/89/47/1314058947.db2.gz HEGLRTYRAAMDRF-IYBDPMFKSA-N 1 3 344.484 2.588 20 0 EFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4cnsc4)C[C@H]3CC2)[nH]1 ZINC001276603987 1314058948 /nfs/dbraw/zinc/05/89/48/1314058948.db2.gz HEGLRTYRAAMDRF-IYBDPMFKSA-N 1 3 344.484 2.588 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037981967 1305582821 /nfs/dbraw/zinc/58/28/21/1305582821.db2.gz HUMWOJABMRKPME-FXAWDEMLSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CC1 ZINC001037985585 1305593362 /nfs/dbraw/zinc/59/33/62/1305593362.db2.gz WISMQDXBUPREJJ-AZUAARDMSA-N 1 3 343.515 2.989 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H](CN2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001209013128 1314069451 /nfs/dbraw/zinc/06/94/51/1314069451.db2.gz NAXADKQQVJWHLI-IYARVYRRSA-N 1 3 345.487 2.882 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)N2CCCC2)cc1 ZINC000870876080 1305647102 /nfs/dbraw/zinc/64/71/02/1305647102.db2.gz WSANEWONGQRSPW-OTWHNJEPSA-N 1 3 329.488 2.766 20 0 EFADHO O=C(CC[NH2+]CC1CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000870875725 1305647509 /nfs/dbraw/zinc/64/75/09/1305647509.db2.gz JJHRVBVNXPPYIR-UHFFFAOYSA-N 1 3 347.528 2.606 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000870954811 1305707656 /nfs/dbraw/zinc/70/76/56/1305707656.db2.gz KHTJNUKMMHWNFC-LJQANCHMSA-N 1 3 341.515 2.826 20 0 EFADHO CCN(CC)CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870964375 1305714988 /nfs/dbraw/zinc/71/49/88/1305714988.db2.gz ZYGDEQWJZFXVJO-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC000871188219 1305877821 /nfs/dbraw/zinc/87/78/21/1305877821.db2.gz MFMWOEFEBHLGAC-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1cccc(CN2CC[C@H](C)[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000968155029 1305922589 /nfs/dbraw/zinc/92/25/89/1305922589.db2.gz PUBFGZQOPPVNKZ-PXNSSMCTSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1noc(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276616636 1314092304 /nfs/dbraw/zinc/09/23/04/1314092304.db2.gz GRGQAOBBLYZAOB-CALCHBBNSA-N 1 3 328.460 2.964 20 0 EFADHO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276616636 1314092309 /nfs/dbraw/zinc/09/23/09/1314092309.db2.gz GRGQAOBBLYZAOB-CALCHBBNSA-N 1 3 328.460 2.964 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143061 1305987348 /nfs/dbraw/zinc/98/73/48/1305987348.db2.gz ROQNRIRUFQRQEZ-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143061 1305987354 /nfs/dbraw/zinc/98/73/54/1305987354.db2.gz ROQNRIRUFQRQEZ-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017144872 1306058082 /nfs/dbraw/zinc/05/80/82/1306058082.db2.gz AZQDUZNCNCTGHX-PMACEKPBSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017144872 1306058093 /nfs/dbraw/zinc/05/80/93/1306058093.db2.gz AZQDUZNCNCTGHX-PMACEKPBSA-N 1 3 345.531 2.943 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001018962919 1314112716 /nfs/dbraw/zinc/11/27/16/1314112716.db2.gz QDXWOXLCCUWPGC-AEFFLSMTSA-N 1 3 329.488 2.731 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001018962512 1314112743 /nfs/dbraw/zinc/11/27/43/1314112743.db2.gz FGHICKQWEGFJSE-ROUUACIJSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCc3ccccc3Cl)C2)CCC1 ZINC001018962659 1314112969 /nfs/dbraw/zinc/11/29/69/1314112969.db2.gz INHNZBVEYMXFBB-INIZCTEOSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001018962578 1314112986 /nfs/dbraw/zinc/11/29/86/1314112986.db2.gz FMTTVNBNKYAVOL-SFHVURJKSA-N 1 3 343.515 2.787 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001018966766 1314113882 /nfs/dbraw/zinc/11/38/82/1314113882.db2.gz RPBBMHQXSCYFGC-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC001018967018 1314113900 /nfs/dbraw/zinc/11/39/00/1314113900.db2.gz ZWSYPWOCQIPANP-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018966572 1314114109 /nfs/dbraw/zinc/11/41/09/1314114109.db2.gz MQYCEHBFXMIHDA-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001018971895 1314117207 /nfs/dbraw/zinc/11/72/07/1314117207.db2.gz YZCTWHCCMWVDHM-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC001018971748 1314117226 /nfs/dbraw/zinc/11/72/26/1314117226.db2.gz QQELNFZKLCYANZ-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001241446401 1314120721 /nfs/dbraw/zinc/12/07/21/1314120721.db2.gz VIRAUPUEOCMQRZ-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001241446401 1314120723 /nfs/dbraw/zinc/12/07/23/1314120723.db2.gz VIRAUPUEOCMQRZ-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@@H]2CN(Cc3ccsc3)CC[C@H]2C)CC1 ZINC000968459539 1306349095 /nfs/dbraw/zinc/34/90/95/1306349095.db2.gz MHBFPJCKSBPRIA-SJLPKXTDSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001018999569 1314126837 /nfs/dbraw/zinc/12/68/37/1314126837.db2.gz XTHARYCPQZDKDB-JLSDUUJJSA-N 1 3 335.467 2.663 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114920899 1306487550 /nfs/dbraw/zinc/48/75/50/1306487550.db2.gz COXKIDXKPQHDKX-HCXYKTFWSA-N 1 3 335.536 2.876 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114920899 1306487552 /nfs/dbraw/zinc/48/75/52/1306487552.db2.gz COXKIDXKPQHDKX-HCXYKTFWSA-N 1 3 335.536 2.876 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673531 1306556556 /nfs/dbraw/zinc/55/65/56/1306556556.db2.gz KNEMHGXKDDBARP-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673531 1306556558 /nfs/dbraw/zinc/55/65/58/1306556558.db2.gz KNEMHGXKDDBARP-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680630 1306562766 /nfs/dbraw/zinc/56/27/66/1306562766.db2.gz BYONULMSMHUFNA-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680630 1306562769 /nfs/dbraw/zinc/56/27/69/1306562769.db2.gz BYONULMSMHUFNA-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680918 1306562993 /nfs/dbraw/zinc/56/29/93/1306562993.db2.gz FDHJLUZBTQLAAI-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680918 1306562994 /nfs/dbraw/zinc/56/29/94/1306562994.db2.gz FDHJLUZBTQLAAI-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682543 1306564482 /nfs/dbraw/zinc/56/44/82/1306564482.db2.gz SCHCRGADGMTXFO-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682543 1306564487 /nfs/dbraw/zinc/56/44/87/1306564487.db2.gz SCHCRGADGMTXFO-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001209302104 1314134940 /nfs/dbraw/zinc/13/49/40/1314134940.db2.gz CABTVTYECOSJFP-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001209314878 1314137761 /nfs/dbraw/zinc/13/77/61/1314137761.db2.gz MDGFCKWZGBXUEH-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627759 1306671351 /nfs/dbraw/zinc/67/13/51/1306671351.db2.gz CFBOLMRYRDEIPU-DOTOQJQBSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628118 1306672021 /nfs/dbraw/zinc/67/20/21/1306672021.db2.gz FUTLQVQSRKVHIG-YJBOKZPZSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN(C)C1CCC1 ZINC001044628097 1306672496 /nfs/dbraw/zinc/67/24/96/1306672496.db2.gz FRTMOIQAWFIHFH-NVXWUHKLSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628115 1306672716 /nfs/dbraw/zinc/67/27/16/1306672716.db2.gz FUTLQVQSRKVHIG-CRAIPNDOSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628660 1306672821 /nfs/dbraw/zinc/67/28/21/1306672821.db2.gz IQRQDXXJPVRJED-FUHWJXTLSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628984 1306673601 /nfs/dbraw/zinc/67/36/01/1306673601.db2.gz KGZAOBZUBPLHRB-HOCLYGCPSA-N 1 3 335.517 2.702 20 0 EFADHO CCCOc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001019032399 1314143060 /nfs/dbraw/zinc/14/30/60/1314143060.db2.gz VIMMIDMJPXGYSU-PKOBYXMFSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001019032063 1314143154 /nfs/dbraw/zinc/14/31/54/1314143154.db2.gz CRQYPQROZQCABI-UIAACRFSSA-N 1 3 343.515 2.767 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001019033354 1314143638 /nfs/dbraw/zinc/14/36/38/1314143638.db2.gz KPYXEASYHBODSW-XJKSGUPXSA-N 1 3 341.858 2.510 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001019033492 1314143659 /nfs/dbraw/zinc/14/36/59/1314143659.db2.gz QDIGSVKPEJICGD-QXAKKESOSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC001019033165 1314143779 /nfs/dbraw/zinc/14/37/79/1314143779.db2.gz BTFDTCXKQLGBJM-XJKSGUPXSA-N 1 3 341.858 2.510 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052860840 1314428821 /nfs/dbraw/zinc/42/88/21/1314428821.db2.gz XUEZIYUQOCJWGR-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052860840 1314428822 /nfs/dbraw/zinc/42/88/22/1314428822.db2.gz XUEZIYUQOCJWGR-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742916 1306765755 /nfs/dbraw/zinc/76/57/55/1306765755.db2.gz JIFHGCSQDGFGTK-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744341 1306767056 /nfs/dbraw/zinc/76/70/56/1306767056.db2.gz OGYQNKMRNVGETP-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744879 1306767691 /nfs/dbraw/zinc/76/76/91/1306767691.db2.gz QFUCVKBZTDSXBT-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCCCCCNC(=O)OC(C)(C)C)C2 ZINC001209359436 1314146041 /nfs/dbraw/zinc/14/60/41/1314146041.db2.gz LIJIBPWVFILFBL-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749986 1306771670 /nfs/dbraw/zinc/77/16/70/1306771670.db2.gz MDLXWDBQLBRIKA-RDJZCZTQSA-N 1 3 332.492 2.892 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044750140 1306772165 /nfs/dbraw/zinc/77/21/65/1306772165.db2.gz MZQQJYUJEMXZTM-WMLDXEAASA-N 1 3 344.434 2.569 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c(C)c1 ZINC001044753390 1306773864 /nfs/dbraw/zinc/77/38/64/1306773864.db2.gz BZZQPHGLGQRFRE-AEFFLSMTSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c(C)c1 ZINC001044753391 1306774024 /nfs/dbraw/zinc/77/40/24/1306774024.db2.gz BZZQPHGLGQRFRE-FUHWJXTLSA-N 1 3 340.471 2.738 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000968903993 1306777982 /nfs/dbraw/zinc/77/79/82/1306777982.db2.gz FGHICKQWEGFJSE-QZTJIDSGSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC000968907459 1306781261 /nfs/dbraw/zinc/78/12/61/1306781261.db2.gz NXYGKZDZIGOSDN-MRXNPFEDSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968907865 1306781314 /nfs/dbraw/zinc/78/13/14/1306781314.db2.gz WNIFUMOKEKXSPM-IAGOWNOFSA-N 1 3 329.488 2.731 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CCC1 ZINC000968907070 1306781494 /nfs/dbraw/zinc/78/14/94/1306781494.db2.gz DOHJXDZJPWFARK-LJQANCHMSA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC000968907202 1306781590 /nfs/dbraw/zinc/78/15/90/1306781590.db2.gz FZRWJOXNPYULOD-MRXNPFEDSA-N 1 3 335.879 2.515 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CC1 ZINC000968912801 1306787895 /nfs/dbraw/zinc/78/78/95/1306787895.db2.gz SPANECHCBPXPKO-QUCCMNQESA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000968915784 1306789564 /nfs/dbraw/zinc/78/95/64/1306789564.db2.gz QOYWJHNYUBQXEO-MSOLQXFVSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000968915784 1306789568 /nfs/dbraw/zinc/78/95/68/1306789568.db2.gz QOYWJHNYUBQXEO-MSOLQXFVSA-N 1 3 347.478 2.779 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CCC1 ZINC000968922372 1306799073 /nfs/dbraw/zinc/79/90/73/1306799073.db2.gz ZSKDGGGFLHOSGE-LJQANCHMSA-N 1 3 341.499 2.739 20 0 EFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001276637788 1314147925 /nfs/dbraw/zinc/14/79/25/1314147925.db2.gz JYNWLICHZUAOHG-XYTVBORESA-N 1 3 337.508 2.848 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC001044791144 1306803576 /nfs/dbraw/zinc/80/35/76/1306803576.db2.gz FRUOZWBBRZVQBR-AZUAARDMSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968928996 1306807971 /nfs/dbraw/zinc/80/79/71/1306807971.db2.gz ZIRRXJYIEPPDFS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000968928996 1306807976 /nfs/dbraw/zinc/80/79/76/1306807976.db2.gz ZIRRXJYIEPPDFS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001276637787 1314148232 /nfs/dbraw/zinc/14/82/32/1314148232.db2.gz JYNWLICHZUAOHG-MGNMYUMUSA-N 1 3 337.508 2.848 20 0 EFADHO CC(C)=CCN1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934193 1306812761 /nfs/dbraw/zinc/81/27/61/1306812761.db2.gz PJMZFUFPXHRYGF-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO c1nn(C2CC[NH2+]CC2)cc1-c1cncc(CN2CCCCC2)c1 ZINC001241776613 1314149050 /nfs/dbraw/zinc/14/90/50/1314149050.db2.gz GKNSOBHMSKZTQV-UHFFFAOYSA-N 1 3 325.460 2.856 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC000968988869 1306866387 /nfs/dbraw/zinc/86/63/87/1306866387.db2.gz CPMXAZYVIRZTCW-HOJAQTOUSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857279 1306867221 /nfs/dbraw/zinc/86/72/21/1306867221.db2.gz HNTDCPYXMKAXAZ-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044857208 1306867356 /nfs/dbraw/zinc/86/73/56/1306867356.db2.gz GFCXSTQDBXCPLH-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968990204 1306867448 /nfs/dbraw/zinc/86/74/48/1306867448.db2.gz XOGQLVFJDLJBOE-UHOSZYNNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044857216 1306867830 /nfs/dbraw/zinc/86/78/30/1306867830.db2.gz GHDSLWCDGCBXNH-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044856661 1306867838 /nfs/dbraw/zinc/86/78/38/1306867838.db2.gz BHQCBMDKFIYEEF-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cs1 ZINC001044857655 1306868682 /nfs/dbraw/zinc/86/86/82/1306868682.db2.gz MIYFOALGAQLLRF-WMLDXEAASA-N 1 3 335.517 2.621 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC001044858267 1306868735 /nfs/dbraw/zinc/86/87/35/1306868735.db2.gz QZLXOCPFLSUERF-NVXWUHKLSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044859017 1306869253 /nfs/dbraw/zinc/86/92/53/1306869253.db2.gz YVNKQJVGCKDJNP-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858892 1306869383 /nfs/dbraw/zinc/86/93/83/1306869383.db2.gz WXFDMDOJGHAJPT-CRAIPNDOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044859054 1306869514 /nfs/dbraw/zinc/86/95/14/1306869514.db2.gz ZIOXIEGFLYSRDN-OALUTQOASA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000968996516 1306873029 /nfs/dbraw/zinc/87/30/29/1306873029.db2.gz JKYPWKMNRFCGOR-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044868312 1306879217 /nfs/dbraw/zinc/87/92/17/1306879217.db2.gz SLVARDMJUGJLCI-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)Oc1cc(NC(=O)[C@H](N)CCC[NH3+])c(Cl)cc1Cl ZINC001219124582 1315283515 /nfs/dbraw/zinc/28/35/15/1315283515.db2.gz VOVLQLAIVLZBDJ-LLVKDONJSA-N 1 3 334.247 2.785 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC1 ZINC000969014287 1306888501 /nfs/dbraw/zinc/88/85/01/1306888501.db2.gz WKOQSKICROBTJC-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC000969077300 1306950927 /nfs/dbraw/zinc/95/09/27/1306950927.db2.gz PEOUWTWXXXCCKH-NLWGTHIKSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1)N(C)C ZINC000969077052 1306951312 /nfs/dbraw/zinc/95/13/12/1306951312.db2.gz JRTKWOGFNVUUSA-FGTMMUONSA-N 1 3 335.467 2.808 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001044960198 1306955948 /nfs/dbraw/zinc/95/59/48/1306955948.db2.gz YPWKMTPXCXDMHW-RDJZCZTQSA-N 1 3 335.879 2.515 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000969100138 1306973809 /nfs/dbraw/zinc/97/38/09/1306973809.db2.gz YIKVYUHCESHOOU-AEFFLSMTSA-N 1 3 341.455 2.608 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019076043 1314160380 /nfs/dbraw/zinc/16/03/80/1314160380.db2.gz IRLBRIRLSNUKJD-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019076043 1314160384 /nfs/dbraw/zinc/16/03/84/1314160384.db2.gz IRLBRIRLSNUKJD-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+]CCSCc1ccccc1Cl ZINC001253205993 1315580783 /nfs/dbraw/zinc/58/07/83/1315580783.db2.gz IDCYLSSZCMCRLZ-OAHLLOKOSA-N 1 3 330.925 2.866 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001045066898 1307030387 /nfs/dbraw/zinc/03/03/87/1307030387.db2.gz IBYTVAPMPVINGB-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c(C)c1 ZINC001045067950 1307031347 /nfs/dbraw/zinc/03/13/47/1307031347.db2.gz WQRPWIWZNGGLLY-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001045068023 1307031754 /nfs/dbraw/zinc/03/17/54/1307031754.db2.gz ZOFRRNQMIRVSBC-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001045067603 1307031868 /nfs/dbraw/zinc/03/18/68/1307031868.db2.gz UZCVMLIGAAFMCH-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001045068392 1307032575 /nfs/dbraw/zinc/03/25/75/1307032575.db2.gz JPCVNXRLZICMOB-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC1 ZINC001045069483 1307032712 /nfs/dbraw/zinc/03/27/12/1307032712.db2.gz ZNCDPHVFQVYBBH-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001045070842 1307033308 /nfs/dbraw/zinc/03/33/08/1307033308.db2.gz YZNJVRLPLFLFIU-AZUAARDMSA-N 1 3 341.499 2.739 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001045090114 1307044941 /nfs/dbraw/zinc/04/49/41/1307044941.db2.gz UKKOGCPPCGMGFP-ZWKOTPCHSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001045089708 1307045297 /nfs/dbraw/zinc/04/52/97/1307045297.db2.gz MEJBGWBEICVCNI-PKOBYXMFSA-N 1 3 342.487 2.589 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCCN2C)c1 ZINC001045093294 1307048726 /nfs/dbraw/zinc/04/87/26/1307048726.db2.gz UBNHXNPNHFCRTH-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO C(CN1CCCCC1)C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001209450038 1314164939 /nfs/dbraw/zinc/16/49/39/1314164939.db2.gz HJOQTZKVZIURKQ-UHFFFAOYSA-N 1 3 334.508 2.527 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001045188025 1307123387 /nfs/dbraw/zinc/12/33/87/1307123387.db2.gz YZBOLLIYKZTESU-RBUKOAKNSA-N 1 3 349.494 2.823 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001045199559 1307133733 /nfs/dbraw/zinc/13/37/33/1307133733.db2.gz DKBLOLIWSZVKKC-BEFAXECRSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC001045199824 1307135068 /nfs/dbraw/zinc/13/50/68/1307135068.db2.gz JNIFTAHVWDAGGF-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1F ZINC001045200795 1307135840 /nfs/dbraw/zinc/13/58/40/1307135840.db2.gz PQUVGRHXLAQUDZ-AEFFLSMTSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001045205137 1307137124 /nfs/dbraw/zinc/13/71/24/1307137124.db2.gz FHLBBUSWHGGVOI-WMZOPIPTSA-N 1 3 343.471 2.854 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001045205539 1307137713 /nfs/dbraw/zinc/13/77/13/1307137713.db2.gz OIJPXRDGUCKSJQ-OALUTQOASA-N 1 3 331.504 2.724 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015549 1307144164 /nfs/dbraw/zinc/14/41/64/1307144164.db2.gz JUXOISDZZPDRQO-PASDCYSWSA-N 1 3 339.499 2.721 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015549 1307144165 /nfs/dbraw/zinc/14/41/65/1307144165.db2.gz JUXOISDZZPDRQO-PASDCYSWSA-N 1 3 339.499 2.721 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255940855 1315882628 /nfs/dbraw/zinc/88/26/28/1315882628.db2.gz HNSOLCUJYMQGGB-JKSUJKDBSA-N 1 3 327.513 2.953 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001045251440 1307175892 /nfs/dbraw/zinc/17/58/92/1307175892.db2.gz SRFVRXSUXYWMHT-SFHVURJKSA-N 1 3 335.536 2.735 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045273134 1307193838 /nfs/dbraw/zinc/19/38/38/1307193838.db2.gz AOSXGAXKDXQQBF-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045273134 1307193844 /nfs/dbraw/zinc/19/38/44/1307193844.db2.gz AOSXGAXKDXQQBF-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001045321267 1307239276 /nfs/dbraw/zinc/23/92/76/1307239276.db2.gz JJEZHDCUVUSWKS-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO C[NH+]1CCC(C2CCN(Cc3cc4c(cn3)OCCC4)CC2)CC1 ZINC001209502484 1314175078 /nfs/dbraw/zinc/17/50/78/1314175078.db2.gz IAEJALFNJJIETK-UHFFFAOYSA-N 1 3 329.488 2.960 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001045440704 1307340865 /nfs/dbraw/zinc/34/08/65/1307340865.db2.gz NYIKCVUARKCGQZ-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC001045440704 1307340869 /nfs/dbraw/zinc/34/08/69/1307340869.db2.gz NYIKCVUARKCGQZ-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C)C2)CC[N@@H+]1C ZINC001007369826 1307392834 /nfs/dbraw/zinc/39/28/34/1307392834.db2.gz SRZZCKRZKYOYIV-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C)C2)CC[N@H+]1C ZINC001007369826 1307392840 /nfs/dbraw/zinc/39/28/40/1307392840.db2.gz SRZZCKRZKYOYIV-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001007376472 1307397635 /nfs/dbraw/zinc/39/76/35/1307397635.db2.gz KJYJJIWNCPBXCM-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001007376472 1307397639 /nfs/dbraw/zinc/39/76/39/1307397639.db2.gz KJYJJIWNCPBXCM-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001007491086 1307467218 /nfs/dbraw/zinc/46/72/18/1307467218.db2.gz FUFHVKUSKWFPKG-PMACEKPBSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001007491086 1307467221 /nfs/dbraw/zinc/46/72/21/1307467221.db2.gz FUFHVKUSKWFPKG-PMACEKPBSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001045789560 1307601198 /nfs/dbraw/zinc/60/11/98/1307601198.db2.gz DOOZXBPBMHRPMK-CEXWTWQISA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001045789560 1307601203 /nfs/dbraw/zinc/60/12/03/1307601203.db2.gz DOOZXBPBMHRPMK-CEXWTWQISA-N 1 3 333.520 2.892 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001209630610 1314204256 /nfs/dbraw/zinc/20/42/56/1314204256.db2.gz AHWGBTQGTQUBHJ-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640682 1314206864 /nfs/dbraw/zinc/20/68/64/1314206864.db2.gz CSBVBXRDSXQISU-APWZRJJASA-N 1 3 339.499 2.746 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053092 1307787867 /nfs/dbraw/zinc/78/78/67/1307787867.db2.gz RFJBDNWHHQOUIZ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053092 1307787871 /nfs/dbraw/zinc/78/78/71/1307787871.db2.gz RFJBDNWHHQOUIZ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001045894964 1307830408 /nfs/dbraw/zinc/83/04/08/1307830408.db2.gz VBGLNVCJZNTNKE-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001045894964 1307830411 /nfs/dbraw/zinc/83/04/11/1307830411.db2.gz VBGLNVCJZNTNKE-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659685 1314212188 /nfs/dbraw/zinc/21/21/88/1314212188.db2.gz HNOYBHBUFRCFAX-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCC1 ZINC001045896251 1307833740 /nfs/dbraw/zinc/83/37/40/1307833740.db2.gz ABZLWEIRFJNBOJ-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCC1 ZINC001045896251 1307833743 /nfs/dbraw/zinc/83/37/43/1307833743.db2.gz ABZLWEIRFJNBOJ-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCC1 ZINC001045896352 1307834440 /nfs/dbraw/zinc/83/44/40/1307834440.db2.gz IWBQWPDAOMUGDV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCC1 ZINC001045896352 1307834446 /nfs/dbraw/zinc/83/44/46/1307834446.db2.gz IWBQWPDAOMUGDV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001209669764 1314213678 /nfs/dbraw/zinc/21/36/78/1314213678.db2.gz TWWBIWQZYQHIPD-OALUTQOASA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008161474 1307871345 /nfs/dbraw/zinc/87/13/45/1307871345.db2.gz HBXXNEKKQZHOME-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001209680366 1314215762 /nfs/dbraw/zinc/21/57/62/1314215762.db2.gz YJIPDXNGKMNCEN-PMACEKPBSA-N 1 3 345.531 2.848 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001209691895 1314218000 /nfs/dbraw/zinc/21/80/00/1314218000.db2.gz ZMVNIEKBTDMEKR-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001045941887 1307950784 /nfs/dbraw/zinc/95/07/84/1307950784.db2.gz OHWDIFVTANFWDJ-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001045941887 1307950786 /nfs/dbraw/zinc/95/07/86/1307950786.db2.gz OHWDIFVTANFWDJ-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279046 1307956752 /nfs/dbraw/zinc/95/67/52/1307956752.db2.gz QJHRYTCSSDFUGL-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279046 1307956755 /nfs/dbraw/zinc/95/67/55/1307956755.db2.gz QJHRYTCSSDFUGL-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001045944206 1307960081 /nfs/dbraw/zinc/96/00/81/1307960081.db2.gz ZWMFRYPYYANALU-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001045944206 1307960085 /nfs/dbraw/zinc/96/00/85/1307960085.db2.gz ZWMFRYPYYANALU-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001045965036 1308018855 /nfs/dbraw/zinc/01/88/55/1308018855.db2.gz BNBSXZBUYFDUSL-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001045965036 1308018858 /nfs/dbraw/zinc/01/88/58/1308018858.db2.gz BNBSXZBUYFDUSL-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001045966234 1308021316 /nfs/dbraw/zinc/02/13/16/1308021316.db2.gz RIYRDDVCHXEUDP-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045966234 1308021321 /nfs/dbraw/zinc/02/13/21/1308021321.db2.gz RIYRDDVCHXEUDP-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CC(=O)Nc1ccc(CNC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC001413127669 1308122858 /nfs/dbraw/zinc/12/28/58/1308122858.db2.gz CHORNOAPASRBEZ-UHFFFAOYSA-N 1 3 333.476 2.624 20 0 EFADHO COc1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)cc1CN(C)C ZINC001242729785 1314229241 /nfs/dbraw/zinc/22/92/41/1314229241.db2.gz SDPCBNJMUUWEPT-UHFFFAOYSA-N 1 3 328.460 2.887 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001413132054 1308131400 /nfs/dbraw/zinc/13/14/00/1308131400.db2.gz JEEITSSDUVFLRI-OALUTQOASA-N 1 3 340.471 2.544 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001019231188 1314230808 /nfs/dbraw/zinc/23/08/08/1314230808.db2.gz RFDDUHWHNBPNJO-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001413149360 1308163825 /nfs/dbraw/zinc/16/38/25/1308163825.db2.gz FNFGVYQIPGVFAL-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001413149360 1308163828 /nfs/dbraw/zinc/16/38/28/1308163828.db2.gz FNFGVYQIPGVFAL-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001019241636 1314235092 /nfs/dbraw/zinc/23/50/92/1314235092.db2.gz QAWHTABIHBOCCX-JENIJYKNSA-N 1 3 329.488 2.649 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001209782360 1314238962 /nfs/dbraw/zinc/23/89/62/1314238962.db2.gz ZXMFSYBGZAKBER-LSTHTHJFSA-N 1 3 337.471 2.604 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001209782360 1314238964 /nfs/dbraw/zinc/23/89/64/1314238964.db2.gz ZXMFSYBGZAKBER-LSTHTHJFSA-N 1 3 337.471 2.604 20 0 EFADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008880697 1308310154 /nfs/dbraw/zinc/31/01/54/1308310154.db2.gz JMTJWNJSDXNOIG-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200853 1308427327 /nfs/dbraw/zinc/42/73/27/1308427327.db2.gz HTIJTOQIFCWWTK-QZTJIDSGSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200853 1308427330 /nfs/dbraw/zinc/42/73/30/1308427330.db2.gz HTIJTOQIFCWWTK-QZTJIDSGSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200854 1308427561 /nfs/dbraw/zinc/42/75/61/1308427561.db2.gz HTIJTOQIFCWWTK-ROUUACIJSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200854 1308427564 /nfs/dbraw/zinc/42/75/64/1308427564.db2.gz HTIJTOQIFCWWTK-ROUUACIJSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1cc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001009205548 1308430726 /nfs/dbraw/zinc/43/07/26/1308430726.db2.gz AIIWYJWPUIYMCZ-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001009205548 1308430728 /nfs/dbraw/zinc/43/07/28/1308430728.db2.gz AIIWYJWPUIYMCZ-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225669 1308438533 /nfs/dbraw/zinc/43/85/33/1308438533.db2.gz OIBUYWGXGRPSLG-MSOLQXFVSA-N 1 3 341.499 2.732 20 0 EFADHO CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC001209845501 1314247975 /nfs/dbraw/zinc/24/79/75/1314247975.db2.gz KNLOCBXZGJREDN-GOSISDBHSA-N 1 3 336.501 2.949 20 0 EFADHO CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC001209845501 1314247977 /nfs/dbraw/zinc/24/79/77/1314247977.db2.gz KNLOCBXZGJREDN-GOSISDBHSA-N 1 3 336.501 2.949 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(C2CC2)c1 ZINC001278356614 1314251784 /nfs/dbraw/zinc/25/17/84/1314251784.db2.gz ANZVYRRAIFYSNQ-PMACEKPBSA-N 1 3 331.479 2.913 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(C2CC2)c1 ZINC001278356614 1314251786 /nfs/dbraw/zinc/25/17/86/1314251786.db2.gz ANZVYRRAIFYSNQ-PMACEKPBSA-N 1 3 331.479 2.913 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046317731 1308532724 /nfs/dbraw/zinc/53/27/24/1308532724.db2.gz UZMOJLWYTDFFPY-CTNGQTDRSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046317731 1308532726 /nfs/dbraw/zinc/53/27/26/1308532726.db2.gz UZMOJLWYTDFFPY-CTNGQTDRSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001046330887 1308547493 /nfs/dbraw/zinc/54/74/93/1308547493.db2.gz WANJMTQALTZIOL-YQVWRLOYSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001046330887 1308547496 /nfs/dbraw/zinc/54/74/96/1308547496.db2.gz WANJMTQALTZIOL-YQVWRLOYSA-N 1 3 349.544 2.867 20 0 EFADHO CC[NH+]1CCC(CN[C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC001413202767 1308607580 /nfs/dbraw/zinc/60/75/80/1308607580.db2.gz HIFOYFLLWBGXTH-HNNXBMFYSA-N 1 3 346.393 2.940 20 0 EFADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC1CC[NH+](C)CC1 ZINC001413206666 1308621357 /nfs/dbraw/zinc/62/13/57/1308621357.db2.gz YWZOWNBAHPGWSS-OAQYLSRUSA-N 1 3 344.499 2.969 20 0 EFADHO CO[C@@H]1C[N@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001413208776 1308633778 /nfs/dbraw/zinc/63/37/78/1308633778.db2.gz JHXSJAOSUQPJSX-SBHAEUEKSA-N 1 3 346.515 2.616 20 0 EFADHO CO[C@@H]1C[N@@H+](C[C@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001413208776 1308633780 /nfs/dbraw/zinc/63/37/80/1308633780.db2.gz JHXSJAOSUQPJSX-SBHAEUEKSA-N 1 3 346.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900782767 1308674554 /nfs/dbraw/zinc/67/45/54/1308674554.db2.gz LTYFLJGEBZYYNK-UHOSZYNNSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900782767 1308674560 /nfs/dbraw/zinc/67/45/60/1308674560.db2.gz LTYFLJGEBZYYNK-UHOSZYNNSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000900782765 1308674942 /nfs/dbraw/zinc/67/49/42/1308674942.db2.gz LTYFLJGEBZYYNK-NEWSRXKRSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000900782765 1308674945 /nfs/dbraw/zinc/67/49/45/1308674945.db2.gz LTYFLJGEBZYYNK-NEWSRXKRSA-N 1 3 331.504 2.838 20 0 EFADHO CCN1CCN(c2ccc(Nc3c[nH+]c(N)cc3C)cc2F)CC1 ZINC001209966448 1314265101 /nfs/dbraw/zinc/26/51/01/1314265101.db2.gz ADNNUZDARUEUTL-UHFFFAOYSA-N 1 3 329.423 2.997 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1F ZINC001046559007 1308794802 /nfs/dbraw/zinc/79/48/02/1308794802.db2.gz WTPISAAEZNOLQR-ICSRJNTNSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1F ZINC001046559007 1308794805 /nfs/dbraw/zinc/79/48/05/1308794805.db2.gz WTPISAAEZNOLQR-ICSRJNTNSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC001046559007 1308794809 /nfs/dbraw/zinc/79/48/09/1308794809.db2.gz WTPISAAEZNOLQR-ICSRJNTNSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC001046559007 1308794813 /nfs/dbraw/zinc/79/48/13/1308794813.db2.gz WTPISAAEZNOLQR-ICSRJNTNSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cs1 ZINC001046569540 1308811461 /nfs/dbraw/zinc/81/14/61/1308811461.db2.gz IWIZBKGESCWONN-FNHZYXHNSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cs1 ZINC001046569540 1308811470 /nfs/dbraw/zinc/81/14/70/1308811470.db2.gz IWIZBKGESCWONN-FNHZYXHNSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001046570039 1308813105 /nfs/dbraw/zinc/81/31/05/1308813105.db2.gz UUMCUZDNUPJDJV-CUWPLCDZSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001046570039 1308813111 /nfs/dbraw/zinc/81/31/11/1308813111.db2.gz UUMCUZDNUPJDJV-CUWPLCDZSA-N 1 3 343.515 2.806 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853276 1314273872 /nfs/dbraw/zinc/27/38/72/1314273872.db2.gz JUXOISDZZPDRQO-OAFZBRQQSA-N 1 3 339.499 2.721 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853276 1314273874 /nfs/dbraw/zinc/27/38/74/1314273874.db2.gz JUXOISDZZPDRQO-OAFZBRQQSA-N 1 3 339.499 2.721 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019339215 1314281834 /nfs/dbraw/zinc/28/18/34/1314281834.db2.gz VMLGQZZWTPZLDY-VDZJLULYSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001019342689 1314283455 /nfs/dbraw/zinc/28/34/55/1314283455.db2.gz BYWCLCRKCXTLSF-DLBZAZTESA-N 1 3 337.895 2.617 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001019343132 1314283666 /nfs/dbraw/zinc/28/36/66/1314283666.db2.gz ZBULQMHFEDPNOH-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001210217219 1314296561 /nfs/dbraw/zinc/29/65/61/1314296561.db2.gz FMWCZTAEDQLRLW-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210219885 1314296948 /nfs/dbraw/zinc/29/69/48/1314296948.db2.gz UZIISXWQVCLQEV-GOSISDBHSA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210219887 1314297120 /nfs/dbraw/zinc/29/71/20/1314297120.db2.gz UZIISXWQVCLQEV-SFHVURJKSA-N 1 3 331.504 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001210183696 1314293016 /nfs/dbraw/zinc/29/30/16/1314293016.db2.gz QXQXWSVNSLLGKA-DZZUKKPASA-N 1 3 329.916 2.832 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N1CCC[C@H](NCc2ccccn2)C1)C(C)C ZINC001210190625 1314293597 /nfs/dbraw/zinc/29/35/97/1314293597.db2.gz XMVPPALCHSUZKH-OALUTQOASA-N 1 3 346.519 2.529 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210220905 1314297758 /nfs/dbraw/zinc/29/77/58/1314297758.db2.gz YLRCISBOEWVISR-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001210228120 1314298478 /nfs/dbraw/zinc/29/84/78/1314298478.db2.gz GVNNGSHZWIFMOS-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210229137 1314299103 /nfs/dbraw/zinc/29/91/03/1314299103.db2.gz LYVGOGKGLIMBHX-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019380908 1314302446 /nfs/dbraw/zinc/30/24/46/1314302446.db2.gz RALONTQBXFIVLT-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019381716 1314303434 /nfs/dbraw/zinc/30/34/34/1314303434.db2.gz QVJSRTUMTDQRKL-CVEARBPZSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001019381716 1314303438 /nfs/dbraw/zinc/30/34/38/1314303438.db2.gz QVJSRTUMTDQRKL-CVEARBPZSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001019382470 1314304035 /nfs/dbraw/zinc/30/40/35/1314304035.db2.gz CBQGYEPHKJHVDE-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001019382456 1314304296 /nfs/dbraw/zinc/30/42/96/1314304296.db2.gz BNWYYUYSUPLZES-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001019382430 1314304324 /nfs/dbraw/zinc/30/43/24/1314304324.db2.gz AVNKDLOKVOJZIK-KXBFYZLASA-N 1 3 343.515 2.644 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CN(C)C1CCC1 ZINC000901064194 1309336952 /nfs/dbraw/zinc/33/69/52/1309336952.db2.gz MTOUNRZOZLZUND-IAGOWNOFSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386724 1314306269 /nfs/dbraw/zinc/30/62/69/1314306269.db2.gz UPBVXGKZLDCDTD-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC001019386381 1314306341 /nfs/dbraw/zinc/30/63/41/1314306341.db2.gz MUHCGHGAPSIPQO-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001019386207 1314306497 /nfs/dbraw/zinc/30/64/97/1314306497.db2.gz IRKQSOLWQBNEKO-HKUYNNGSSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1C ZINC001019386954 1314306852 /nfs/dbraw/zinc/30/68/52/1314306852.db2.gz ZUIORNSKGLPKKP-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)C1 ZINC001052701237 1314310042 /nfs/dbraw/zinc/31/00/42/1314310042.db2.gz BHBFHQALNZUGAY-YJBOKZPZSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC001052701237 1314310046 /nfs/dbraw/zinc/31/00/46/1314310046.db2.gz BHBFHQALNZUGAY-YJBOKZPZSA-N 1 3 345.478 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001019394270 1314310183 /nfs/dbraw/zinc/31/01/83/1314310183.db2.gz CRQYPQROZQCABI-YSSFQJQWSA-N 1 3 343.515 2.767 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001019394212 1314310307 /nfs/dbraw/zinc/31/03/07/1314310307.db2.gz BHOUGQPNCGWUEJ-IFIJOSMWSA-N 1 3 339.430 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001019397230 1314312931 /nfs/dbraw/zinc/31/29/31/1314312931.db2.gz PFBDEWRBMTWNME-WDSOQIARSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706001 1314313562 /nfs/dbraw/zinc/31/35/62/1314313562.db2.gz NJURFSOKTQQRPM-QAPCUYQASA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706001 1314313566 /nfs/dbraw/zinc/31/35/66/1314313566.db2.gz NJURFSOKTQQRPM-QAPCUYQASA-N 1 3 327.488 2.578 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831281 1309476220 /nfs/dbraw/zinc/47/62/20/1309476220.db2.gz IRIJMBKKURFEMF-CTNGQTDRSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831281 1309476229 /nfs/dbraw/zinc/47/62/29/1309476229.db2.gz IRIJMBKKURFEMF-CTNGQTDRSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052712367 1314318343 /nfs/dbraw/zinc/31/83/43/1314318343.db2.gz HPDUGYJVCJOVNR-HKUYNNGSSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052712367 1314318346 /nfs/dbraw/zinc/31/83/46/1314318346.db2.gz HPDUGYJVCJOVNR-HKUYNNGSSA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CC3CCC3)C2)c1 ZINC001046851614 1309523232 /nfs/dbraw/zinc/52/32/32/1309523232.db2.gz IKVYSYXIEUSKRH-HXUWFJFHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)c1 ZINC001046851614 1309523236 /nfs/dbraw/zinc/52/32/36/1309523236.db2.gz IKVYSYXIEUSKRH-HXUWFJFHSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851597 1309523316 /nfs/dbraw/zinc/52/33/16/1309523316.db2.gz IIPJUQFTRLJIBS-KXBFYZLASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851597 1309523324 /nfs/dbraw/zinc/52/33/24/1309523324.db2.gz IIPJUQFTRLJIBS-KXBFYZLASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052713241 1314319551 /nfs/dbraw/zinc/31/95/51/1314319551.db2.gz UIWSLLSRHROSLB-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052713241 1314319554 /nfs/dbraw/zinc/31/95/54/1314319554.db2.gz UIWSLLSRHROSLB-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853267 1309527048 /nfs/dbraw/zinc/52/70/48/1309527048.db2.gz VBPSWLGTUVNIHG-UZLBHIALSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853267 1309527054 /nfs/dbraw/zinc/52/70/54/1309527054.db2.gz VBPSWLGTUVNIHG-UZLBHIALSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046855787 1309533767 /nfs/dbraw/zinc/53/37/67/1309533767.db2.gz WXYPSFVWARRIHQ-FQEVSTJZSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046855787 1309533773 /nfs/dbraw/zinc/53/37/73/1309533773.db2.gz WXYPSFVWARRIHQ-FQEVSTJZSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052713217 1314320170 /nfs/dbraw/zinc/32/01/70/1314320170.db2.gz TTZUMSGLCHNHRO-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052713217 1314320172 /nfs/dbraw/zinc/32/01/72/1314320172.db2.gz TTZUMSGLCHNHRO-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052713356 1314320516 /nfs/dbraw/zinc/32/05/16/1314320516.db2.gz VRUFJILHVSXTCS-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052713356 1314320519 /nfs/dbraw/zinc/32/05/19/1314320519.db2.gz VRUFJILHVSXTCS-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052716295 1314321584 /nfs/dbraw/zinc/32/15/84/1314321584.db2.gz LGSXXRSLYRTYHZ-DOTOQJQBSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052716295 1314321588 /nfs/dbraw/zinc/32/15/88/1314321588.db2.gz LGSXXRSLYRTYHZ-DOTOQJQBSA-N 1 3 335.517 2.703 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2CCC[N@H+](CCC(F)(F)F)CC2)C1 ZINC001052716455 1314322308 /nfs/dbraw/zinc/32/23/08/1314322308.db2.gz MCMBDCBPDHKKEQ-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2CCC[N@@H+](CCC(F)(F)F)CC2)C1 ZINC001052716455 1314322313 /nfs/dbraw/zinc/32/23/13/1314322313.db2.gz MCMBDCBPDHKKEQ-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCc3cccs3)CC2)C1 ZINC001052712728 1314318289 /nfs/dbraw/zinc/31/82/89/1314318289.db2.gz OAXJSZUMXYLRFZ-DLBZAZTESA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCc3cccs3)CC2)C1 ZINC001052712728 1314318291 /nfs/dbraw/zinc/31/82/91/1314318291.db2.gz OAXJSZUMXYLRFZ-DLBZAZTESA-N 1 3 349.544 2.603 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210426325 1314332083 /nfs/dbraw/zinc/33/20/83/1314332083.db2.gz FYRVSRCQDORDRL-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046938148 1309717584 /nfs/dbraw/zinc/71/75/84/1309717584.db2.gz ORXGPWHQPLQRMG-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046938148 1309717593 /nfs/dbraw/zinc/71/75/93/1309717593.db2.gz ORXGPWHQPLQRMG-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cc1 ZINC001210427182 1314332401 /nfs/dbraw/zinc/33/24/01/1314332401.db2.gz QGARYZQGHFJOLT-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001210427655 1314332656 /nfs/dbraw/zinc/33/26/56/1314332656.db2.gz YNTAPGZBRPZUOV-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001046950389 1309750194 /nfs/dbraw/zinc/75/01/94/1309750194.db2.gz GXQBVSXPGSRXLP-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001046950389 1309750200 /nfs/dbraw/zinc/75/02/00/1309750200.db2.gz GXQBVSXPGSRXLP-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001046950386 1309750263 /nfs/dbraw/zinc/75/02/63/1309750263.db2.gz GXQBVSXPGSRXLP-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)C)CCC1(F)F ZINC001046950386 1309750270 /nfs/dbraw/zinc/75/02/70/1309750270.db2.gz GXQBVSXPGSRXLP-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001210476803 1314339285 /nfs/dbraw/zinc/33/92/85/1314339285.db2.gz JFPIHWMMRFUQOH-VQIMIIECSA-N 1 3 349.494 2.825 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C ZINC001210476803 1314339289 /nfs/dbraw/zinc/33/92/89/1314339289.db2.gz JFPIHWMMRFUQOH-VQIMIIECSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988651 1309859246 /nfs/dbraw/zinc/85/92/46/1309859246.db2.gz QOQUZIKKRWWAFL-MRXNPFEDSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001210493943 1314342717 /nfs/dbraw/zinc/34/27/17/1314342717.db2.gz PRNTXNVVUMIHII-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001210493943 1314342721 /nfs/dbraw/zinc/34/27/21/1314342721.db2.gz PRNTXNVVUMIHII-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001019469563 1314355502 /nfs/dbraw/zinc/35/55/02/1314355502.db2.gz BJSMNLDNEGVABX-SFHVURJKSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001052764981 1314358119 /nfs/dbraw/zinc/35/81/19/1314358119.db2.gz UTISCFJYBPKUIV-CFMJQPPZSA-N 1 3 341.927 2.974 20 0 EFADHO Nc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1OC(F)(F)F ZINC001244266543 1314367080 /nfs/dbraw/zinc/36/70/80/1314367080.db2.gz OZZAGKMTFFVWLN-UHFFFAOYSA-N 1 3 338.333 2.639 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2 ZINC001047207045 1310307789 /nfs/dbraw/zinc/30/77/89/1310307789.db2.gz LWOGHYZNQXUFCM-UHOSZYNNSA-N 1 3 341.499 2.741 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2 ZINC001047207045 1310307797 /nfs/dbraw/zinc/30/77/97/1310307797.db2.gz LWOGHYZNQXUFCM-UHOSZYNNSA-N 1 3 341.499 2.741 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CC1 ZINC001019560460 1314383789 /nfs/dbraw/zinc/38/37/89/1314383789.db2.gz HPNSXBUCUNFAHP-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047254058 1310424494 /nfs/dbraw/zinc/42/44/94/1310424494.db2.gz MHNOPUSJZKSECJ-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC001019560475 1314384259 /nfs/dbraw/zinc/38/42/59/1314384259.db2.gz IBQDTZHUBLFBBC-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1cccc(F)c1 ZINC001019560688 1314384322 /nfs/dbraw/zinc/38/43/22/1314384322.db2.gz SHRYWEVBUIWNNO-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019560655 1314384438 /nfs/dbraw/zinc/38/44/38/1314384438.db2.gz QYTSOTPANCDGAY-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256069 1310429218 /nfs/dbraw/zinc/42/92/18/1310429218.db2.gz GBPGZMUDEUVNMR-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047255824 1310429263 /nfs/dbraw/zinc/42/92/63/1310429263.db2.gz DUXHPGLEWIPSLL-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001047255868 1310429334 /nfs/dbraw/zinc/42/93/34/1310429334.db2.gz FLGLGGZCUYNCKC-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256068 1310429556 /nfs/dbraw/zinc/42/95/56/1310429556.db2.gz GBPGZMUDEUVNMR-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1C ZINC001019560670 1314384591 /nfs/dbraw/zinc/38/45/91/1314384591.db2.gz RRAOKQXPQRKYDA-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001047257116 1310432413 /nfs/dbraw/zinc/43/24/13/1310432413.db2.gz PBTPBSSFLRCOGN-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001210773460 1314385111 /nfs/dbraw/zinc/38/51/11/1314385111.db2.gz KERNJTYISKKVEG-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001210773460 1314385114 /nfs/dbraw/zinc/38/51/14/1314385114.db2.gz KERNJTYISKKVEG-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210782124 1314386594 /nfs/dbraw/zinc/38/65/94/1314386594.db2.gz IZJHBDDJAAWQEW-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001210789063 1314389151 /nfs/dbraw/zinc/38/91/51/1314389151.db2.gz MIMLKCVJKUMYBK-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001210789063 1314389154 /nfs/dbraw/zinc/38/91/54/1314389154.db2.gz MIMLKCVJKUMYBK-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001210810951 1314391844 /nfs/dbraw/zinc/39/18/44/1314391844.db2.gz HNPHKSOZZSGDFW-WMZOPIPTSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001210810835 1314392434 /nfs/dbraw/zinc/39/24/34/1314392434.db2.gz FARZWADRUMJZPS-SFHVURJKSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001210812285 1314392788 /nfs/dbraw/zinc/39/27/88/1314392788.db2.gz WEYFDEVOLIDFJR-IEBWSBKVSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001210811514 1314392814 /nfs/dbraw/zinc/39/28/14/1314392814.db2.gz PCMNRVSUJSNTIZ-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001210811386 1314392866 /nfs/dbraw/zinc/39/28/66/1314392866.db2.gz NDQAFJVNGQEGEK-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001210812389 1314393016 /nfs/dbraw/zinc/39/30/16/1314393016.db2.gz ZBYUXUYCTJHDMO-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837264 1314408026 /nfs/dbraw/zinc/40/80/26/1314408026.db2.gz ODHDXSVZJUPUME-QZTJIDSGSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001019653004 1314409513 /nfs/dbraw/zinc/40/95/13/1314409513.db2.gz CLKKNGAWKXYKKC-RDJZCZTQSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001019653004 1314409516 /nfs/dbraw/zinc/40/95/16/1314409516.db2.gz CLKKNGAWKXYKKC-RDJZCZTQSA-N 1 3 349.906 2.681 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669618 1311010004 /nfs/dbraw/zinc/01/00/04/1311010004.db2.gz RHZYMYVIYFKQMQ-GRFNRIFCSA-N 1 3 331.504 2.504 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221710707 1311017290 /nfs/dbraw/zinc/01/72/90/1311017290.db2.gz FVTHRZYNCNEFDL-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221710707 1311017293 /nfs/dbraw/zinc/01/72/93/1311017293.db2.gz FVTHRZYNCNEFDL-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730756 1311020276 /nfs/dbraw/zinc/02/02/76/1311020276.db2.gz QXWADYXCSYRNNF-PJHKVULZSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730756 1311020278 /nfs/dbraw/zinc/02/02/78/1311020278.db2.gz QXWADYXCSYRNNF-PJHKVULZSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221730756 1311020282 /nfs/dbraw/zinc/02/02/82/1311020282.db2.gz QXWADYXCSYRNNF-PJHKVULZSA-N 1 3 333.520 2.750 20 0 EFADHO C[C@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098403731 1311023771 /nfs/dbraw/zinc/02/37/71/1311023771.db2.gz PAQIACJBSAOBFG-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403731 1311023774 /nfs/dbraw/zinc/02/37/74/1311023774.db2.gz PAQIACJBSAOBFG-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403731 1311023777 /nfs/dbraw/zinc/02/37/77/1311023777.db2.gz PAQIACJBSAOBFG-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772357 1311028978 /nfs/dbraw/zinc/02/89/78/1311028978.db2.gz WEXSENWETKPFJN-QXAKKESOSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221773020 1311029123 /nfs/dbraw/zinc/02/91/23/1311029123.db2.gz VGYFJPVZOVBCBL-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001221789407 1311031950 /nfs/dbraw/zinc/03/19/50/1311031950.db2.gz VSPIAHQZAOMFJF-WOJBJXKFSA-N 1 3 343.515 2.794 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221920378 1311054953 /nfs/dbraw/zinc/05/49/53/1311054953.db2.gz CABGHHGALKWMSZ-QZTJIDSGSA-N 1 3 349.544 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221920378 1311054956 /nfs/dbraw/zinc/05/49/56/1311054956.db2.gz CABGHHGALKWMSZ-QZTJIDSGSA-N 1 3 349.544 2.555 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3C)C[C@H]21 ZINC001221921644 1311055409 /nfs/dbraw/zinc/05/54/09/1311055409.db2.gz DDALVVYUYPDKBF-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3C)C[C@H]21 ZINC001221921644 1311055411 /nfs/dbraw/zinc/05/54/11/1311055411.db2.gz DDALVVYUYPDKBF-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221968809 1311061865 /nfs/dbraw/zinc/06/18/65/1311061865.db2.gz AVIXJUWBAZNYCP-RTBURBONSA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221968809 1311061867 /nfs/dbraw/zinc/06/18/67/1311061867.db2.gz AVIXJUWBAZNYCP-RTBURBONSA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221969159 1311062584 /nfs/dbraw/zinc/06/25/84/1311062584.db2.gz UFLBAOINZHASAG-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC001221969159 1311062586 /nfs/dbraw/zinc/06/25/86/1311062586.db2.gz UFLBAOINZHASAG-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO COC(=O)c1cc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cn1C ZINC001222114039 1311086731 /nfs/dbraw/zinc/08/67/31/1311086731.db2.gz SABWBUGTFGPQDK-UHFFFAOYSA-N 1 3 347.503 2.948 20 0 EFADHO CCOC(=O)[C@@]12CN(CC[C@H](C)c3ccc(C)o3)C[C@@H]1C[NH2+]CCC2 ZINC001222125850 1311088330 /nfs/dbraw/zinc/08/83/30/1311088330.db2.gz YCFYXXCAHLANBD-KNBMTAEXSA-N 1 3 348.487 2.946 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@H]3CCC(C)=C[C@H]3C)C[C@@H]1CNCCC2 ZINC001222125767 1311088527 /nfs/dbraw/zinc/08/85/27/1311088527.db2.gz VFPVAFFNUDWCDH-XSYGEPLQSA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@H]3CCC(C)=C[C@H]3C)C[C@@H]1CNCCC2 ZINC001222125767 1311088530 /nfs/dbraw/zinc/08/85/30/1311088530.db2.gz VFPVAFFNUDWCDH-XSYGEPLQSA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cccc4cc[nH]c43)C[C@@H]1C[NH2+]CCC2 ZINC001222131305 1311089146 /nfs/dbraw/zinc/08/91/46/1311089146.db2.gz SVBREVYIRTWGJU-PXNSSMCTSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4cc[nH]c43)C[C@@H]1CNCCC2 ZINC001222131305 1311089149 /nfs/dbraw/zinc/08/91/49/1311089149.db2.gz SVBREVYIRTWGJU-PXNSSMCTSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4cc[nH]c43)C[C@@H]1CNCCC2 ZINC001222131305 1311089151 /nfs/dbraw/zinc/08/91/51/1311089151.db2.gz SVBREVYIRTWGJU-PXNSSMCTSA-N 1 3 341.455 2.533 20 0 EFADHO CCOC(=O)[C@H]1CC2(CN1C[C@H](C)c1ccccc1)CC[NH2+]CC2 ZINC001222215640 1311099822 /nfs/dbraw/zinc/09/98/22/1311099822.db2.gz IWUCKESQRKMBFK-FUHWJXTLSA-N 1 3 330.472 2.797 20 0 EFADHO CCOc1ccc(CN2CCOCC3(CC[NH2+]CC3)C2)cc1CC ZINC001222407631 1311126216 /nfs/dbraw/zinc/12/62/16/1311126216.db2.gz KUULVZTXWXYUTD-UHFFFAOYSA-N 1 3 332.488 2.850 20 0 EFADHO CC(C)(O)CCCC1=CC[C@H](C[N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491417 1311140823 /nfs/dbraw/zinc/14/08/23/1311140823.db2.gz AALFDQMHBMYORV-UFYCRDLUSA-N 1 3 349.563 2.680 20 0 EFADHO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491417 1311140825 /nfs/dbraw/zinc/14/08/25/1311140825.db2.gz AALFDQMHBMYORV-UFYCRDLUSA-N 1 3 349.563 2.680 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)cn1 ZINC001276830944 1311150607 /nfs/dbraw/zinc/15/06/07/1311150607.db2.gz WXELUCSUMFISIX-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cn1 ZINC001276830944 1311150609 /nfs/dbraw/zinc/15/06/09/1311150609.db2.gz WXELUCSUMFISIX-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2Cc3ccccc3[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001222563819 1311153264 /nfs/dbraw/zinc/15/32/64/1311153264.db2.gz RFUBJTMTOIBLIJ-SFTDATJTSA-N 1 3 339.458 2.959 20 0 EFADHO COc1cccc(Br)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629447 1311163557 /nfs/dbraw/zinc/16/35/57/1311163557.db2.gz HKHINWLADZLYCQ-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038628872 1311165737 /nfs/dbraw/zinc/16/57/37/1311165737.db2.gz DPCNZJZLNFIIMN-WDSOQIARSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038628872 1311165740 /nfs/dbraw/zinc/16/57/40/1311165740.db2.gz DPCNZJZLNFIIMN-WDSOQIARSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cccnc2c1 ZINC001276833094 1311174795 /nfs/dbraw/zinc/17/47/95/1311174795.db2.gz HVVKXAFTLQTGHP-IHWFROFDSA-N 1 3 338.499 2.881 20 0 EFADHO Cc1cccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c21 ZINC001276840707 1311188188 /nfs/dbraw/zinc/18/81/88/1311188188.db2.gz UQQHKAJUJMVVBE-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1cccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c21 ZINC001276840707 1311188190 /nfs/dbraw/zinc/18/81/90/1311188190.db2.gz UQQHKAJUJMVVBE-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038630734 1311206292 /nfs/dbraw/zinc/20/62/92/1311206292.db2.gz OKYBQUUXODYMCM-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038630734 1311206297 /nfs/dbraw/zinc/20/62/97/1311206297.db2.gz OKYBQUUXODYMCM-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001223024299 1311210359 /nfs/dbraw/zinc/21/03/59/1311210359.db2.gz XFJJMVRTVNZNQN-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1 ZINC001223024299 1311210360 /nfs/dbraw/zinc/21/03/60/1311210360.db2.gz XFJJMVRTVNZNQN-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223164793 1311225545 /nfs/dbraw/zinc/22/55/45/1311225545.db2.gz SJFRNSYKNYAJLZ-SFHVURJKSA-N 1 3 341.515 2.827 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364437 1311237273 /nfs/dbraw/zinc/23/72/73/1311237273.db2.gz UFCDUAJBTHTXMP-GUNXIMTMSA-N 1 3 347.547 2.855 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364437 1311237275 /nfs/dbraw/zinc/23/72/75/1311237275.db2.gz UFCDUAJBTHTXMP-GUNXIMTMSA-N 1 3 347.547 2.855 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868336 1311240381 /nfs/dbraw/zinc/24/03/81/1311240381.db2.gz NUBZDISPBMRXNP-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868063 1311240525 /nfs/dbraw/zinc/24/05/25/1311240525.db2.gz MIYBICZZFJSWQB-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)cc1O ZINC001276879585 1311240755 /nfs/dbraw/zinc/24/07/55/1311240755.db2.gz GMJAWMGEKRKTQB-NRFANRHFSA-N 1 3 345.531 2.940 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)cc1O ZINC001276879585 1311240759 /nfs/dbraw/zinc/24/07/59/1311240759.db2.gz GMJAWMGEKRKTQB-NRFANRHFSA-N 1 3 345.531 2.940 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001047869428 1311241513 /nfs/dbraw/zinc/24/15/13/1311241513.db2.gz QQPAJGIMIBIFHC-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869620 1311241654 /nfs/dbraw/zinc/24/16/54/1311241654.db2.gz RCYIIKGJRVZOIB-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001047870002 1311242449 /nfs/dbraw/zinc/24/24/49/1311242449.db2.gz TWOYCELTEDHGMQ-WBVHZDCISA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1)N(CC)CC ZINC001223489448 1311267751 /nfs/dbraw/zinc/26/77/51/1311267751.db2.gz PNCWQHRISDYFJF-QYZOEREBSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1)N(CC)CC ZINC001223489448 1311267753 /nfs/dbraw/zinc/26/77/53/1311267753.db2.gz PNCWQHRISDYFJF-QYZOEREBSA-N 1 3 335.536 2.996 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CCc2cccs2)CC1)C1CCC1 ZINC001223495558 1311268717 /nfs/dbraw/zinc/26/87/17/1311268717.db2.gz RNHRBJOCZOQROM-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223506809 1311270031 /nfs/dbraw/zinc/27/00/31/1311270031.db2.gz LDMSVZHNFQOUBA-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223506809 1311270033 /nfs/dbraw/zinc/27/00/33/1311270033.db2.gz LDMSVZHNFQOUBA-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001223524507 1311272588 /nfs/dbraw/zinc/27/25/88/1311272588.db2.gz HCDSIHXUPFMEKH-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1)N(C)C ZINC001223596393 1311280465 /nfs/dbraw/zinc/28/04/65/1311280465.db2.gz AUIGPNGLWCCWLJ-SJLPKXTDSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001223604797 1311280939 /nfs/dbraw/zinc/28/09/39/1311280939.db2.gz NFESQKWIODXALY-LJQANCHMSA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001223598165 1311280980 /nfs/dbraw/zinc/28/09/80/1311280980.db2.gz ZPUTZXNKPMTWPO-WOJBJXKFSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CCCC(C)C)CC1 ZINC001223655419 1311287462 /nfs/dbraw/zinc/28/74/62/1311287462.db2.gz XIHAHCGJUGEDIA-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372982 1311305736 /nfs/dbraw/zinc/30/57/36/1311305736.db2.gz SJEJBBYDCFXHQR-MDZRGWNJSA-N 1 3 341.515 2.683 20 0 EFADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372982 1311305740 /nfs/dbraw/zinc/30/57/40/1311305740.db2.gz SJEJBBYDCFXHQR-MDZRGWNJSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430126 1311309471 /nfs/dbraw/zinc/30/94/71/1311309471.db2.gz FSFNOBXMIVQWIV-VBHIHJPTSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C ZINC001102524732 1311316226 /nfs/dbraw/zinc/31/62/26/1311316226.db2.gz TXJPNUHNDMDWDC-NCJCTJFTSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C/C=C\c2ccccc2)C[C@H]1C ZINC001102524732 1311316229 /nfs/dbraw/zinc/31/62/29/1311316229.db2.gz TXJPNUHNDMDWDC-NCJCTJFTSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047984197 1311350094 /nfs/dbraw/zinc/35/00/94/1311350094.db2.gz QQJIJJMWDAZODE-SJLPKXTDSA-N 1 3 340.471 2.596 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227986 1311362989 /nfs/dbraw/zinc/36/29/89/1311362989.db2.gz RQPKOHRDEPYWAJ-SQNIBIBYSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048008905 1311367291 /nfs/dbraw/zinc/36/72/91/1311367291.db2.gz RGXCEHFTEPWLNC-PKOBYXMFSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402330 1311385847 /nfs/dbraw/zinc/38/58/47/1311385847.db2.gz FKRKRGOVLBRSOE-HXUWFJFHSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001224536290 1311404918 /nfs/dbraw/zinc/40/49/18/1311404918.db2.gz LKILDQLGMNCCPA-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558865 1311407305 /nfs/dbraw/zinc/40/73/05/1311407305.db2.gz JYBBPIBSGHBGNE-MSOLQXFVSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577131 1311410513 /nfs/dbraw/zinc/41/05/13/1311410513.db2.gz UBQQUZLDANGDLQ-OAHLLOKOSA-N 1 3 329.504 2.541 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001224583046 1311410737 /nfs/dbraw/zinc/41/07/37/1311410737.db2.gz JEXGYKIMQPWXNA-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001224583325 1311411043 /nfs/dbraw/zinc/41/10/43/1311411043.db2.gz QFEZXEHIADUNOB-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048065218 1311424280 /nfs/dbraw/zinc/42/42/80/1311424280.db2.gz KMMBYSLSRKAXCL-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001048067911 1311426836 /nfs/dbraw/zinc/42/68/36/1311426836.db2.gz UJKMTDGUHYQILG-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048068590 1311427410 /nfs/dbraw/zinc/42/74/10/1311427410.db2.gz WWDGHAHYHFRDFK-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048068652 1311427533 /nfs/dbraw/zinc/42/75/33/1311427533.db2.gz XKDOEOCZBJVSQF-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068478 1311427869 /nfs/dbraw/zinc/42/78/69/1311427869.db2.gz GJGINYPBQYEODS-WBVHZDCISA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069266 1311429013 /nfs/dbraw/zinc/42/90/13/1311429013.db2.gz OGRPUYUHRQINST-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001224911943 1311449659 /nfs/dbraw/zinc/44/96/59/1311449659.db2.gz YBJCJLQXYACPRB-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159155140 1311462043 /nfs/dbraw/zinc/46/20/43/1311462043.db2.gz JXYUYYGTKUXGQG-YOEHRIQHSA-N 1 3 341.446 2.663 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159155137 1311462316 /nfs/dbraw/zinc/46/23/16/1311462316.db2.gz JXYUYYGTKUXGQG-PBHICJAKSA-N 1 3 341.446 2.663 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2cc(C)ccc2F)CC1 ZINC001225088031 1311473927 /nfs/dbraw/zinc/47/39/27/1311473927.db2.gz VCWTYXMQDKFDRB-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2cc(C)ccc2F)CC1 ZINC001225088031 1311473928 /nfs/dbraw/zinc/47/39/28/1311473928.db2.gz VCWTYXMQDKFDRB-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cccc(CC)c2)CC1 ZINC001225228704 1311492444 /nfs/dbraw/zinc/49/24/44/1311492444.db2.gz VQIQNEBYLJBNFU-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001014398502 1311497045 /nfs/dbraw/zinc/49/70/45/1311497045.db2.gz PCXVTXHRKJRQSG-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001014398502 1311497047 /nfs/dbraw/zinc/49/70/47/1311497047.db2.gz PCXVTXHRKJRQSG-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014409810 1311502120 /nfs/dbraw/zinc/50/21/20/1311502120.db2.gz RZGRRJNNPWUIGP-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014409810 1311502124 /nfs/dbraw/zinc/50/21/24/1311502124.db2.gz RZGRRJNNPWUIGP-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCC1 ZINC001014447791 1311520524 /nfs/dbraw/zinc/52/05/24/1311520524.db2.gz QALLLXLKFHIABY-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCC1 ZINC001014447791 1311520526 /nfs/dbraw/zinc/52/05/26/1311520526.db2.gz QALLLXLKFHIABY-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1cncc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460694 1311520705 /nfs/dbraw/zinc/52/07/05/1311520705.db2.gz XVNMSORDDCRMLM-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001014482632 1311538253 /nfs/dbraw/zinc/53/82/53/1311538253.db2.gz HUQXUOHHJOANOH-CDHQVMDDSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001014482632 1311538255 /nfs/dbraw/zinc/53/82/55/1311538255.db2.gz HUQXUOHHJOANOH-CDHQVMDDSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)cc(C)c3)C2)CC[N@@H+]1C ZINC001014488950 1311541177 /nfs/dbraw/zinc/54/11/77/1311541177.db2.gz ABIWTZDEGAATFY-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)cc(C)c3)C2)CC[N@H+]1C ZINC001014488950 1311541179 /nfs/dbraw/zinc/54/11/79/1311541179.db2.gz ABIWTZDEGAATFY-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001225578170 1311546733 /nfs/dbraw/zinc/54/67/33/1311546733.db2.gz RDNVHKYMTHSTDR-UHFFFAOYSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001225578562 1311546904 /nfs/dbraw/zinc/54/69/04/1311546904.db2.gz XMBYPMDTLVTTCT-JXMROGBWSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001225582768 1311547922 /nfs/dbraw/zinc/54/79/22/1311547922.db2.gz SWNDYJZKVPLGQQ-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCc2ccccc2F)CC1 ZINC001225583063 1311547969 /nfs/dbraw/zinc/54/79/69/1311547969.db2.gz YVGCWSJVZJMSFR-UHFFFAOYSA-N 1 3 349.494 2.537 20 0 EFADHO Cc1ccccc1C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628769 1311554831 /nfs/dbraw/zinc/55/48/31/1311554831.db2.gz PPYOPZQPQCPSNA-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628769 1311554834 /nfs/dbraw/zinc/55/48/34/1311554834.db2.gz PPYOPZQPQCPSNA-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001159627918 1311555129 /nfs/dbraw/zinc/55/51/29/1311555129.db2.gz BZQZNKJNGZKUFM-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001159627918 1311555133 /nfs/dbraw/zinc/55/51/33/1311555133.db2.gz BZQZNKJNGZKUFM-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001159628774 1311555190 /nfs/dbraw/zinc/55/51/90/1311555190.db2.gz PRUMBHCEOMCLGU-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001159628774 1311555193 /nfs/dbraw/zinc/55/51/93/1311555193.db2.gz PRUMBHCEOMCLGU-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628426 1311555323 /nfs/dbraw/zinc/55/53/23/1311555323.db2.gz ITWQXGOWXAAZDO-MJGOQNOKSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628426 1311555326 /nfs/dbraw/zinc/55/53/26/1311555326.db2.gz ITWQXGOWXAAZDO-MJGOQNOKSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853439 1311597253 /nfs/dbraw/zinc/59/72/53/1311597253.db2.gz DSRRHFOQYGZWGC-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(C(F)F)cc2)CCC1 ZINC001159853695 1311597301 /nfs/dbraw/zinc/59/73/01/1311597301.db2.gz IAYNEGLCOCYPIU-UHFFFAOYSA-N 1 3 339.430 2.704 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(F)cc2Cl)CCC1 ZINC001159854196 1311597379 /nfs/dbraw/zinc/59/73/79/1311597379.db2.gz MAZMMWPYOJTEFC-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001159861415 1311598709 /nfs/dbraw/zinc/59/87/09/1311598709.db2.gz OWACYVAALFJWGZ-QGZVFWFLSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cc(F)ccc1F ZINC001159860995 1311598859 /nfs/dbraw/zinc/59/88/59/1311598859.db2.gz IALATOIWOKADIT-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001159915798 1311607878 /nfs/dbraw/zinc/60/78/78/1311607878.db2.gz NXUVEYJNKCDBES-LJQANCHMSA-N 1 3 345.531 2.920 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931767 1311611556 /nfs/dbraw/zinc/61/15/56/1311611556.db2.gz HTEGFLVSYHYAAO-QZTJIDSGSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001159932201 1311611612 /nfs/dbraw/zinc/61/16/12/1311611612.db2.gz OLHFSXGLKWRYDU-DYVFJYSZSA-N 1 3 337.895 2.837 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931766 1311611669 /nfs/dbraw/zinc/61/16/69/1311611669.db2.gz HTEGFLVSYHYAAO-MSOLQXFVSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159932639 1311611755 /nfs/dbraw/zinc/61/17/55/1311611755.db2.gz UANWBLMZVZJRSD-KRWDZBQOSA-N 1 3 337.895 2.585 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159931658 1311611880 /nfs/dbraw/zinc/61/18/80/1311611880.db2.gz HSDUAEQDLNQKHC-APWZRJJASA-N 1 3 331.504 2.801 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001159932202 1311612041 /nfs/dbraw/zinc/61/20/41/1311612041.db2.gz OLHFSXGLKWRYDU-GUYCJALGSA-N 1 3 337.895 2.837 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001096314049 1311613810 /nfs/dbraw/zinc/61/38/10/1311613810.db2.gz USTIUDPYUKXTAP-XWSJACJDSA-N 1 3 333.520 2.773 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001096314049 1311613814 /nfs/dbraw/zinc/61/38/14/1311613814.db2.gz USTIUDPYUKXTAP-XWSJACJDSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc2c(c1)CCC2 ZINC001159997301 1311626165 /nfs/dbraw/zinc/62/61/65/1311626165.db2.gz KVRMDFYZUSFRSX-INIZCTEOSA-N 1 3 343.515 2.817 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1)C1CCC1 ZINC001159997306 1311626602 /nfs/dbraw/zinc/62/66/02/1311626602.db2.gz LEFNCORQCIFXCG-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c(Cl)c1 ZINC001159997496 1311626783 /nfs/dbraw/zinc/62/67/83/1311626783.db2.gz OWLKLDHOCNJYIC-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001048277678 1311630381 /nfs/dbraw/zinc/63/03/81/1311630381.db2.gz NXPQQXWTIPGONU-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014625020 1311630732 /nfs/dbraw/zinc/63/07/32/1311630732.db2.gz DEMYBLSOCNZMTB-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014625020 1311630735 /nfs/dbraw/zinc/63/07/35/1311630735.db2.gz DEMYBLSOCNZMTB-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048278529 1311631595 /nfs/dbraw/zinc/63/15/95/1311631595.db2.gz YDRSUJRCBWLWLQ-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048279197 1311632017 /nfs/dbraw/zinc/63/20/17/1311632017.db2.gz HFXPYXLLZOGZGR-NVXWUHKLSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014639266 1311639084 /nfs/dbraw/zinc/63/90/84/1311639084.db2.gz MZZAELNYSOBNQE-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014639266 1311639086 /nfs/dbraw/zinc/63/90/86/1311639086.db2.gz MZZAELNYSOBNQE-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706890 1311676670 /nfs/dbraw/zinc/67/66/70/1311676670.db2.gz SUQPHZUBZUIEMP-RTBURBONSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706890 1311676673 /nfs/dbraw/zinc/67/66/73/1311676673.db2.gz SUQPHZUBZUIEMP-RTBURBONSA-N 1 3 333.520 2.655 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000902384084 1311695103 /nfs/dbraw/zinc/69/51/03/1311695103.db2.gz GWLBYLTZRBODCO-IAGOWNOFSA-N 1 3 330.476 2.661 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226613521 1311696564 /nfs/dbraw/zinc/69/65/64/1311696564.db2.gz JTQKZHCMXGCNKA-RBSFLKMASA-N 1 3 349.441 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226614802 1311697141 /nfs/dbraw/zinc/69/71/41/1311697141.db2.gz SWUATUSFIIPIIZ-IAEIJAJRSA-N 1 3 327.900 2.630 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCCCOc1ccccc1)N(C)C ZINC001160427041 1311707733 /nfs/dbraw/zinc/70/77/33/1311707733.db2.gz LUNRVUVTTFJGMG-IBGZPJMESA-N 1 3 349.519 2.528 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001160455367 1311713189 /nfs/dbraw/zinc/71/31/89/1311713189.db2.gz WCAKRKRZPJYOJN-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(CN2CCO[C@H](CN[C@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000902403234 1311713914 /nfs/dbraw/zinc/71/39/14/1311713914.db2.gz FSSYWZRBUFJMDN-VQTJNVASSA-N 1 3 345.531 2.564 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902406687 1311717275 /nfs/dbraw/zinc/71/72/75/1311717275.db2.gz QIWVMTHEBWGVSM-VQTJNVASSA-N 1 3 345.531 2.564 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001160478985 1311719675 /nfs/dbraw/zinc/71/96/75/1311719675.db2.gz HQIRKLQWZWXCDU-MRXNPFEDSA-N 1 3 343.462 2.510 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001160478985 1311719679 /nfs/dbraw/zinc/71/96/79/1311719679.db2.gz HQIRKLQWZWXCDU-MRXNPFEDSA-N 1 3 343.462 2.510 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001226799829 1311725189 /nfs/dbraw/zinc/72/51/89/1311725189.db2.gz DTDLIHKZLXKCQN-GUDVDZBRSA-N 1 3 347.478 2.683 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)C1CC1 ZINC001226801142 1311725197 /nfs/dbraw/zinc/72/51/97/1311725197.db2.gz SYCGKZAPIVDQDY-VAMGGRTRSA-N 1 3 343.515 2.586 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)C1CC1 ZINC001226800469 1311725265 /nfs/dbraw/zinc/72/52/65/1311725265.db2.gz LCVRXAXLNJNEQX-QRVBRYPASA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)C1CC1 ZINC001226800915 1311725275 /nfs/dbraw/zinc/72/52/75/1311725275.db2.gz PWDYTYNQHDDXSC-QRVBRYPASA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048386027 1311731585 /nfs/dbraw/zinc/73/15/85/1311731585.db2.gz GPDYUVXPAYURTR-HKUYNNGSSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048388005 1311732769 /nfs/dbraw/zinc/73/27/69/1311732769.db2.gz UTRLPXVKSWFHPW-PKOBYXMFSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)N(C)C ZINC001226922154 1311741344 /nfs/dbraw/zinc/74/13/44/1311741344.db2.gz NMADSLMGRFEUJZ-AQNXPRMDSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)N(C)C ZINC001226922092 1311741474 /nfs/dbraw/zinc/74/14/74/1311741474.db2.gz LYSGNSLHVHBVCH-QRVBRYPASA-N 1 3 349.494 2.929 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001227057622 1311756150 /nfs/dbraw/zinc/75/61/50/1311756150.db2.gz XNPXNZKLWWIHAT-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001160695682 1311761488 /nfs/dbraw/zinc/76/14/88/1311761488.db2.gz OVIODABANMOTNR-XHDPSFHLSA-N 1 3 344.286 2.841 20 0 EFADHO CNc1ccc(C)cc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000902473227 1311771651 /nfs/dbraw/zinc/77/16/51/1311771651.db2.gz VKTAVDIURLIVMA-FQEVSTJZSA-N 1 3 339.483 2.893 20 0 EFADHO CNc1ccc(C)cc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000902473227 1311771652 /nfs/dbraw/zinc/77/16/52/1311771652.db2.gz VKTAVDIURLIVMA-FQEVSTJZSA-N 1 3 339.483 2.893 20 0 EFADHO CN(Cc1ccc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1)C1CC1 ZINC001160741756 1311772173 /nfs/dbraw/zinc/77/21/73/1311772173.db2.gz GGVNUUIWSZMSCZ-KGLIPLIRSA-N 1 3 328.382 2.628 20 0 EFADHO CN(Cc1ccccc1Oc1ccccc1)C(=O)[C@H](N)CCC[NH3+] ZINC001160747190 1311773298 /nfs/dbraw/zinc/77/32/98/1311773298.db2.gz REFTUQNPSGXSCU-QGZVFWFLSA-N 1 3 327.428 2.504 20 0 EFADHO COc1c(C)ccc(F)c1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001277190723 1311779429 /nfs/dbraw/zinc/77/94/29/1311779429.db2.gz QPBBEURXDFERQU-UHFFFAOYSA-N 1 3 349.494 2.602 20 0 EFADHO CN(C)c1ccc(N2CCC(NC[C@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902482738 1311782997 /nfs/dbraw/zinc/78/29/97/1311782997.db2.gz NGTQUQSCZQAXJC-GOSISDBHSA-N 1 3 330.520 2.843 20 0 EFADHO CN(C)c1ccc(N2CCC([NH2+]C[C@H]3CCCCCN3)CC2)cc1 ZINC000902482738 1311783001 /nfs/dbraw/zinc/78/30/01/1311783001.db2.gz NGTQUQSCZQAXJC-GOSISDBHSA-N 1 3 330.520 2.843 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001160883168 1311802241 /nfs/dbraw/zinc/80/22/41/1311802241.db2.gz GEYIIGBQKUNJCJ-OAHLLOKOSA-N 1 3 327.419 2.560 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl)N(C)C ZINC001160883635 1311803108 /nfs/dbraw/zinc/80/31/08/1311803108.db2.gz QXLQBZBEFMVPHA-MRXNPFEDSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1)N(C)C ZINC001160889144 1311803578 /nfs/dbraw/zinc/80/35/78/1311803578.db2.gz FREFLDXUOZKQPT-QGZVFWFLSA-N 1 3 339.911 2.709 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048479637 1311810390 /nfs/dbraw/zinc/81/03/90/1311810390.db2.gz OOCUYVJFJJEECP-OXJNMPFZSA-N 1 3 343.515 2.846 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001160935547 1311814284 /nfs/dbraw/zinc/81/42/84/1311814284.db2.gz BFFBQEJSTGZTDW-FCEWJHQRSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001160957857 1311821026 /nfs/dbraw/zinc/82/10/26/1311821026.db2.gz VFGCKVUYAVWUQS-WNHJNPCNSA-N 1 3 343.515 2.729 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001014956574 1311821092 /nfs/dbraw/zinc/82/10/92/1311821092.db2.gz WAKNNXUUTQPUDK-FUHWJXTLSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001014956574 1311821095 /nfs/dbraw/zinc/82/10/95/1311821095.db2.gz WAKNNXUUTQPUDK-FUHWJXTLSA-N 1 3 341.455 2.608 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965967 1311828568 /nfs/dbraw/zinc/82/85/68/1311828568.db2.gz WRNDPIZLIZXOQE-WMZOPIPTSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965967 1311828570 /nfs/dbraw/zinc/82/85/70/1311828570.db2.gz WRNDPIZLIZXOQE-WMZOPIPTSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001014965967 1311828573 /nfs/dbraw/zinc/82/85/73/1311828573.db2.gz WRNDPIZLIZXOQE-WMZOPIPTSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC001014965967 1311828577 /nfs/dbraw/zinc/82/85/77/1311828577.db2.gz WRNDPIZLIZXOQE-WMZOPIPTSA-N 1 3 349.906 2.557 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001227619377 1311831739 /nfs/dbraw/zinc/83/17/39/1311831739.db2.gz PMYAFYPPDJTTKN-GOSISDBHSA-N 1 3 339.499 2.747 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001227619378 1311831860 /nfs/dbraw/zinc/83/18/60/1311831860.db2.gz PMYAFYPPDJTTKN-SFHVURJKSA-N 1 3 339.499 2.747 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000902529755 1311840503 /nfs/dbraw/zinc/84/05/03/1311840503.db2.gz YODQXLPJQBLRFH-WOJBJXKFSA-N 1 3 347.503 2.586 20 0 EFADHO C[NH+](C)CCCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001161036880 1311843058 /nfs/dbraw/zinc/84/30/58/1311843058.db2.gz QMRSNFZJTVGJJQ-UHFFFAOYSA-N 1 3 335.517 2.728 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)CN2CC[C@H](C)C2)[NH+](C)C)cc1 ZINC001413057505 1311854948 /nfs/dbraw/zinc/85/49/48/1311854948.db2.gz LAWZJABTCBQMFI-FXAWDEMLSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227796881 1311857283 /nfs/dbraw/zinc/85/72/83/1311857283.db2.gz CZWAMSAACCTTQH-KXBFYZLASA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227796878 1311857295 /nfs/dbraw/zinc/85/72/95/1311857295.db2.gz CZWAMSAACCTTQH-DNVCBOLYSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001048524794 1311860253 /nfs/dbraw/zinc/86/02/53/1311860253.db2.gz AEPHWTKRFIKNBO-MHORFTMASA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001048524794 1311860255 /nfs/dbraw/zinc/86/02/55/1311860255.db2.gz AEPHWTKRFIKNBO-MHORFTMASA-N 1 3 339.499 2.578 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2CCCCCC2)CC1)C1CC1 ZINC001227818161 1311860593 /nfs/dbraw/zinc/86/05/93/1311860593.db2.gz RWLCZKGKFKWRHF-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)C1CC1 ZINC001227816650 1311860772 /nfs/dbraw/zinc/86/07/72/1311860772.db2.gz GRXGXRWYOCEFTE-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CC1CCC(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001227816899 1311860841 /nfs/dbraw/zinc/86/08/41/1311860841.db2.gz HTCYKGPTEHBIHC-LADRWXRNSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227818173 1311861029 /nfs/dbraw/zinc/86/10/29/1311861029.db2.gz SIXFJTUUTCDUGQ-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001227833017 1311863635 /nfs/dbraw/zinc/86/36/35/1311863635.db2.gz PPMAUIDALAVFAS-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001161133871 1311866900 /nfs/dbraw/zinc/86/69/00/1311866900.db2.gz RHQKOPBALYRUQR-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001161133871 1311866905 /nfs/dbraw/zinc/86/69/05/1311866905.db2.gz RHQKOPBALYRUQR-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CN(CCN(C)C(=O)C12CCC([NH3+])(CC1)CC2)Cc1ccccc1 ZINC001161160738 1311871532 /nfs/dbraw/zinc/87/15/32/1311871532.db2.gz FLKQLHMNIKUGKF-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001227900213 1311871941 /nfs/dbraw/zinc/87/19/41/1311871941.db2.gz QVYCNKMMCCSIMF-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO N[C@H](CC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1Cl ZINC001161413612 1311882644 /nfs/dbraw/zinc/88/26/44/1311882644.db2.gz QUPMFSBXBNATHQ-WGEPELCKSA-N 1 3 342.270 2.579 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015052825 1311883509 /nfs/dbraw/zinc/88/35/09/1311883509.db2.gz OARGIFXHBVDYIK-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015052825 1311883512 /nfs/dbraw/zinc/88/35/12/1311883512.db2.gz OARGIFXHBVDYIK-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO N[C@H](C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)C1CCCCC1 ZINC001161425238 1311884467 /nfs/dbraw/zinc/88/44/67/1311884467.db2.gz WTPNEVRZBJDBLE-IBGZPJMESA-N 1 3 329.488 2.675 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1)N(C)C ZINC001227987296 1311884663 /nfs/dbraw/zinc/88/46/63/1311884663.db2.gz WLAIMPZALPXYOJ-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001227986205 1311884832 /nfs/dbraw/zinc/88/48/32/1311884832.db2.gz AFLQNDGCBHYGLJ-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001015056116 1311885789 /nfs/dbraw/zinc/88/57/89/1311885789.db2.gz HAKBQVGSHJQSMU-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001015056116 1311885791 /nfs/dbraw/zinc/88/57/91/1311885791.db2.gz HAKBQVGSHJQSMU-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC001161438193 1311889283 /nfs/dbraw/zinc/88/92/83/1311889283.db2.gz CZQCOEQXDPRMGT-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC001161438192 1311889492 /nfs/dbraw/zinc/88/94/92/1311889492.db2.gz CZQCOEQXDPRMGT-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)Cc1ccc(CC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161444147 1311891062 /nfs/dbraw/zinc/89/10/62/1311891062.db2.gz CQNOUOBMPHWJFY-FQEVSTJZSA-N 1 3 345.531 2.570 20 0 EFADHO CN(C)CCN(C(=O)Cc1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC001161442957 1311891105 /nfs/dbraw/zinc/89/11/05/1311891105.db2.gz JIULUQWXCBXGJS-MRXNPFEDSA-N 1 3 345.512 2.586 20 0 EFADHO Cc1c2cc(C)ccc2oc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161451140 1311892551 /nfs/dbraw/zinc/89/25/51/1311892551.db2.gz KUPWUGSLFQIFEI-INIZCTEOSA-N 1 3 343.471 2.805 20 0 EFADHO CN(C)CCN(C(=O)c1cccc(C(C)(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001161449736 1311892816 /nfs/dbraw/zinc/89/28/16/1311892816.db2.gz RALLGMIZVOWVIU-GOSISDBHSA-N 1 3 331.504 2.740 20 0 EFADHO CN(C)CCN(C(=O)c1c[nH]c2c1cccc2Cl)[C@@H]1CCC[NH2+]C1 ZINC001161452479 1311893182 /nfs/dbraw/zinc/89/31/82/1311893182.db2.gz SCSXTDLAGNIRCY-CYBMUJFWSA-N 1 3 348.878 2.577 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001048590755 1311942778 /nfs/dbraw/zinc/94/27/78/1311942778.db2.gz ZALXDNBBTNZCCS-VBUUOAMHSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001048590755 1311942782 /nfs/dbraw/zinc/94/27/82/1311942782.db2.gz ZALXDNBBTNZCCS-VBUUOAMHSA-N 1 3 347.478 2.691 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)N(C)C ZINC001228445305 1311948719 /nfs/dbraw/zinc/94/87/19/1311948719.db2.gz OBABUXWRBKFYKZ-BRWVUGGUSA-N 1 3 337.533 2.851 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)N(C)C ZINC001228445289 1311948973 /nfs/dbraw/zinc/94/89/73/1311948973.db2.gz NMADSLMGRFEUJZ-VAMGGRTRSA-N 1 3 345.531 2.832 20 0 EFADHO CC[N@H+](C)[C@@H](C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161683189 1311951134 /nfs/dbraw/zinc/95/11/34/1311951134.db2.gz PYKZPUXDKUXJGN-LJQANCHMSA-N 1 3 347.478 2.787 20 0 EFADHO CC[N@@H+](C)[C@@H](C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161683189 1311951137 /nfs/dbraw/zinc/95/11/37/1311951137.db2.gz PYKZPUXDKUXJGN-LJQANCHMSA-N 1 3 347.478 2.787 20 0 EFADHO C[NH+]1CCC(Oc2ccnc(NCc3ncn4ccccc34)c2)CC1 ZINC001161687088 1311951762 /nfs/dbraw/zinc/95/17/62/1311951762.db2.gz PJJZYQLWRBASEI-UHFFFAOYSA-N 1 3 337.427 2.814 20 0 EFADHO CC(C)(C)NC(=O)C1CC[NH+](C2CCN(CC3CCC3)CC2)CC1 ZINC001277302343 1311951777 /nfs/dbraw/zinc/95/17/77/1311951777.db2.gz YFODWWJDSYOXFJ-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCCCN2CCN(C)CC2)nc1 ZINC001161704031 1311955627 /nfs/dbraw/zinc/95/56/27/1311955627.db2.gz YNVHKVKWFJGKJL-GOSISDBHSA-N 1 3 345.535 2.505 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCCCN2CCN(C)CC2)nc1 ZINC001161704031 1311955630 /nfs/dbraw/zinc/95/56/30/1311955630.db2.gz YNVHKVKWFJGKJL-GOSISDBHSA-N 1 3 345.535 2.505 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048606636 1311961201 /nfs/dbraw/zinc/96/12/01/1311961201.db2.gz AICUVKRGEOUNNX-GUDVDZBRSA-N 1 3 335.536 2.781 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161755259 1311965875 /nfs/dbraw/zinc/96/58/75/1311965875.db2.gz SMEGBAMEJJYESO-UHFFFAOYSA-N 1 3 333.520 2.967 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161755259 1311965876 /nfs/dbraw/zinc/96/58/76/1311965876.db2.gz SMEGBAMEJJYESO-UHFFFAOYSA-N 1 3 333.520 2.967 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161758745 1311967453 /nfs/dbraw/zinc/96/74/53/1311967453.db2.gz OIIKXMWNBKCKQI-UHFFFAOYSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161758745 1311967457 /nfs/dbraw/zinc/96/74/57/1311967457.db2.gz OIIKXMWNBKCKQI-UHFFFAOYSA-N 1 3 335.536 2.903 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001228647776 1311975469 /nfs/dbraw/zinc/97/54/69/1311975469.db2.gz ZBTKBRODRQTDCZ-IKQZUGGXSA-N 1 3 329.916 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001228660659 1311976810 /nfs/dbraw/zinc/97/68/10/1311976810.db2.gz GYLDSHXHIYNSSA-QRVBRYPASA-N 1 3 349.494 2.991 20 0 EFADHO CC(C)[N@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938738 1312008549 /nfs/dbraw/zinc/00/85/49/1312008549.db2.gz WFQWVLZGHCKEBJ-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)[N@@H+]1CC=C(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001161938738 1312008553 /nfs/dbraw/zinc/00/85/53/1312008553.db2.gz WFQWVLZGHCKEBJ-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161952976 1312012157 /nfs/dbraw/zinc/01/21/57/1312012157.db2.gz NSCRNEWBMZICGC-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161952976 1312012161 /nfs/dbraw/zinc/01/21/61/1312012161.db2.gz NSCRNEWBMZICGC-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228864539 1312012124 /nfs/dbraw/zinc/01/21/24/1312012124.db2.gz LYLINIIFKHFAAW-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228865142 1312012245 /nfs/dbraw/zinc/01/22/45/1312012245.db2.gz SMEQCMYOVLKFTF-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228864538 1312012333 /nfs/dbraw/zinc/01/23/33/1312012333.db2.gz LYLINIIFKHFAAW-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)CCC[NH+](C)C)CC2)c(C)s1 ZINC001228904604 1312018245 /nfs/dbraw/zinc/01/82/45/1312018245.db2.gz PDUKEPAPFDCMBS-UHFFFAOYSA-N 1 3 337.533 2.787 20 0 EFADHO COc1cccc(C2(Nc3cccc(N(C)C)n3)CC[NH2+]CC2)c1 ZINC001161992628 1312023771 /nfs/dbraw/zinc/02/37/71/1312023771.db2.gz YWUARNNOKJDQIO-UHFFFAOYSA-N 1 3 326.444 2.847 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCN(CCCCC(F)(F)F)CC2)CC1 ZINC001228985388 1312032005 /nfs/dbraw/zinc/03/20/05/1312032005.db2.gz ZMWTZQPJCQSQDB-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC001229173247 1312056531 /nfs/dbraw/zinc/05/65/31/1312056531.db2.gz AAQYRXKNMBQNCS-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001229229484 1312064640 /nfs/dbraw/zinc/06/46/40/1312064640.db2.gz ATIAIDUZHNHGCF-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC001229231648 1312064970 /nfs/dbraw/zinc/06/49/70/1312064970.db2.gz SEIMXADAMVTGHJ-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC001229231701 1312065106 /nfs/dbraw/zinc/06/51/06/1312065106.db2.gz SZUAUTKXWPFYLD-RTBURBONSA-N 1 3 349.494 2.727 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1)N(C)C ZINC001229233098 1312065209 /nfs/dbraw/zinc/06/52/09/1312065209.db2.gz FEVVYYNXTZYYNQ-AWEZNQCLSA-N 1 3 337.430 2.640 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2ccccc2C)CC1)N(C)C ZINC001229253320 1312068197 /nfs/dbraw/zinc/06/81/97/1312068197.db2.gz BPXVVYFDRMYRMF-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001162461083 1312107673 /nfs/dbraw/zinc/10/76/73/1312107673.db2.gz MYZMRBJPZRIBGZ-KGLIPLIRSA-N 1 3 347.507 2.573 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001162461085 1312107813 /nfs/dbraw/zinc/10/78/13/1312107813.db2.gz MYZMRBJPZRIBGZ-ZIAGYGMSSA-N 1 3 347.507 2.573 20 0 EFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800993 1312118569 /nfs/dbraw/zinc/11/85/69/1312118569.db2.gz YMLBJHJZIDZTGR-DZGCQCFKSA-N 1 3 345.409 2.988 20 0 EFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800993 1312118573 /nfs/dbraw/zinc/11/85/73/1312118573.db2.gz YMLBJHJZIDZTGR-DZGCQCFKSA-N 1 3 345.409 2.988 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)C1 ZINC001229693420 1312123933 /nfs/dbraw/zinc/12/39/33/1312123933.db2.gz SANVKGZTZZJRDJ-BFHYXJOUSA-N 1 3 348.318 2.664 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)C1 ZINC001229693420 1312123935 /nfs/dbraw/zinc/12/39/35/1312123935.db2.gz SANVKGZTZZJRDJ-BFHYXJOUSA-N 1 3 348.318 2.664 20 0 EFADHO [NH3+]Cc1cccc(-c2cncn2-c2cc(Cl)nc3c2CCNC3)c1 ZINC001162564410 1312125432 /nfs/dbraw/zinc/12/54/32/1312125432.db2.gz DTMRWPCJCNETAW-UHFFFAOYSA-N 1 3 339.830 2.692 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001229860335 1312150613 /nfs/dbraw/zinc/15/06/13/1312150613.db2.gz RLEFQDQLUBRNLL-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC001229868828 1312151776 /nfs/dbraw/zinc/15/17/76/1312151776.db2.gz PQDCGCQYEHBFLI-RTBURBONSA-N 1 3 349.494 2.727 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015498305 1312153286 /nfs/dbraw/zinc/15/32/86/1312153286.db2.gz KFIBRXLKWLPIHA-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001229896118 1312156250 /nfs/dbraw/zinc/15/62/50/1312156250.db2.gz UTYOSWZSOPDDKP-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001229896118 1312156252 /nfs/dbraw/zinc/15/62/52/1312156252.db2.gz UTYOSWZSOPDDKP-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001229907895 1312158313 /nfs/dbraw/zinc/15/83/13/1312158313.db2.gz BIYNTLSETCQZBT-UHFFFAOYSA-N 1 3 337.533 2.787 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2cc(C)sc2C)CC1 ZINC001229907895 1312158314 /nfs/dbraw/zinc/15/83/14/1312158314.db2.gz BIYNTLSETCQZBT-UHFFFAOYSA-N 1 3 337.533 2.787 20 0 EFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cc(N2CCCCC2)ccn1 ZINC001162731346 1312162217 /nfs/dbraw/zinc/16/22/17/1312162217.db2.gz XUWLURPVZRYJFP-QGZVFWFLSA-N 1 3 348.491 2.615 20 0 EFADHO C[NH+](C)[C@@](C)(C(=O)NC1CCN(C/C=C\Cl)CC1)c1ccccc1 ZINC001229998893 1312167694 /nfs/dbraw/zinc/16/76/94/1312167694.db2.gz FINBZPRKTWEPKH-XCJXAGMVSA-N 1 3 349.906 2.797 20 0 EFADHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162764691 1312171193 /nfs/dbraw/zinc/17/11/93/1312171193.db2.gz ZZEQSNYJLRJZEY-GXTWGEPZSA-N 1 3 336.443 2.611 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832418 1312186958 /nfs/dbraw/zinc/18/69/58/1312186958.db2.gz SBYMIVURGGVDEB-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CC[C@H](C(=O)N(CC[NH2+]CC1CCC1)CCc1ccccc1)N(C)C ZINC001162841473 1312187750 /nfs/dbraw/zinc/18/77/50/1312187750.db2.gz UFXXTLCCDPYLSK-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001230107687 1312187981 /nfs/dbraw/zinc/18/79/81/1312187981.db2.gz SWIFOBRIZHBBHD-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001230107687 1312187985 /nfs/dbraw/zinc/18/79/85/1312187985.db2.gz SWIFOBRIZHBBHD-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001230112806 1312188460 /nfs/dbraw/zinc/18/84/60/1312188460.db2.gz BCOMTBOOLIHFCA-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001230112850 1312188575 /nfs/dbraw/zinc/18/85/75/1312188575.db2.gz CXKMSLRSOUWFJN-UHFFFAOYSA-N 1 3 342.487 2.590 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001230115324 1312189733 /nfs/dbraw/zinc/18/97/33/1312189733.db2.gz OPGKSRHYNDZPMF-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(c2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001162854406 1312190629 /nfs/dbraw/zinc/19/06/29/1312190629.db2.gz SUFFSWMSPVNPIR-YLJYHZDGSA-N 1 3 348.450 2.622 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(c2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001162854404 1312190724 /nfs/dbraw/zinc/19/07/24/1312190724.db2.gz SUFFSWMSPVNPIR-XLIONFOSSA-N 1 3 348.450 2.622 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CCCCCC4)C[C@@H]3C2)CCC1 ZINC001048860063 1312203335 /nfs/dbraw/zinc/20/33/35/1312203335.db2.gz FMFAQOWHMAZWSN-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CCCCCC4)C[C@@H]3C2)CCC1 ZINC001048860063 1312203338 /nfs/dbraw/zinc/20/33/38/1312203338.db2.gz FMFAQOWHMAZWSN-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162918982 1312204194 /nfs/dbraw/zinc/20/41/94/1312204194.db2.gz JVCNSQGERDBWNW-LJQANCHMSA-N 1 3 333.520 2.644 20 0 EFADHO CC1CCC(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]3C2)CC1 ZINC001048864175 1312206172 /nfs/dbraw/zinc/20/61/72/1312206172.db2.gz SOQDQIPEYFWXSL-DBYSVDLZSA-N 1 3 347.547 2.543 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@H]3C2)CC1 ZINC001048864175 1312206175 /nfs/dbraw/zinc/20/61/75/1312206175.db2.gz SOQDQIPEYFWXSL-DBYSVDLZSA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864329 1312206492 /nfs/dbraw/zinc/20/64/92/1312206492.db2.gz WYJBFPSDOKPVBA-HSALFYBXSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864329 1312206494 /nfs/dbraw/zinc/20/64/94/1312206494.db2.gz WYJBFPSDOKPVBA-HSALFYBXSA-N 1 3 345.531 2.607 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH2+]CC=C(C)C)CCc1ccccc1)N(C)C ZINC001162935016 1312207039 /nfs/dbraw/zinc/20/70/39/1312207039.db2.gz POVMYFCBHUWMAO-FQEVSTJZSA-N 1 3 345.531 2.954 20 0 EFADHO CCCCC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946794 1312208876 /nfs/dbraw/zinc/20/88/76/1312208876.db2.gz RJKOMUCAERODJB-UHFFFAOYSA-N 1 3 342.487 2.803 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001230284484 1312215556 /nfs/dbraw/zinc/21/55/56/1312215556.db2.gz HCQVKHCWQFSBRA-QZTJIDSGSA-N 1 3 335.467 2.683 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH2+]CC=C(C)C)CCc1ccccc1 ZINC001162987764 1312219408 /nfs/dbraw/zinc/21/94/08/1312219408.db2.gz XJLWAXQEZKUEQV-UHFFFAOYSA-N 1 3 345.531 2.955 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1 ZINC001162987067 1312219545 /nfs/dbraw/zinc/21/95/45/1312219545.db2.gz HUEJHVDZCLELHM-UHFFFAOYSA-N 1 3 333.520 2.645 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001048887547 1312225780 /nfs/dbraw/zinc/22/57/80/1312225780.db2.gz BGHTWPIDCDCKDQ-ITQYTPKQSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001048887547 1312225781 /nfs/dbraw/zinc/22/57/81/1312225781.db2.gz BGHTWPIDCDCKDQ-ITQYTPKQSA-N 1 3 347.478 2.617 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001230366688 1312230458 /nfs/dbraw/zinc/23/04/58/1312230458.db2.gz CZYKYCBZVWVSSE-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1ccc2cc(OC)c(OC)cc2n1 ZINC001163126038 1312245935 /nfs/dbraw/zinc/24/59/35/1312245935.db2.gz NYAOQPJLRGUAKW-UHFFFAOYSA-N 1 3 345.447 2.530 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2cc(Cl)ccc21 ZINC001163125714 1312246287 /nfs/dbraw/zinc/24/62/87/1312246287.db2.gz HPQJTLSADICYCC-UHFFFAOYSA-N 1 3 334.855 2.870 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2cc(C)ccc21 ZINC001163126650 1312246493 /nfs/dbraw/zinc/24/64/93/1312246493.db2.gz UGNWUKYOJVIYOR-UHFFFAOYSA-N 1 3 334.855 2.870 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cccc(OCc2ccccc2)n1 ZINC001163129446 1312247201 /nfs/dbraw/zinc/24/72/01/1312247201.db2.gz YGITWGFPVLAACO-UHFFFAOYSA-N 1 3 341.459 2.939 20 0 EFADHO COC(=O)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000902972359 1312252574 /nfs/dbraw/zinc/25/25/74/1312252574.db2.gz CTMCQOKXAKOQQC-SJORKVTESA-N 1 3 348.487 2.933 20 0 EFADHO COC(=O)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000902972359 1312252577 /nfs/dbraw/zinc/25/25/77/1312252577.db2.gz CTMCQOKXAKOQQC-SJORKVTESA-N 1 3 348.487 2.933 20 0 EFADHO CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537540 1312260050 /nfs/dbraw/zinc/26/00/50/1312260050.db2.gz HOVWRDFRZSIRJU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537540 1312260053 /nfs/dbraw/zinc/26/00/53/1312260053.db2.gz HOVWRDFRZSIRJU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO c1cc2c(s1)[C@H](Nc1ncnc3sc4c(c31)CC[NH2+]C4)CNC2 ZINC001163219902 1312266788 /nfs/dbraw/zinc/26/67/88/1312266788.db2.gz HRYCSMBAZOZASL-LLVKDONJSA-N 1 3 343.481 2.655 20 0 EFADHO CN1CCN(c2ccc(N[C@H]3C[NH2+]Cc4ccsc43)cc2)CC1 ZINC001163228063 1312269620 /nfs/dbraw/zinc/26/96/20/1312269620.db2.gz HPJPPWGUISHFGX-KRWDZBQOSA-N 1 3 328.485 2.756 20 0 EFADHO CN1CCN(c2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)cc2)CC1 ZINC001163228065 1312269636 /nfs/dbraw/zinc/26/96/36/1312269636.db2.gz HPJPPWGUISHFGX-QGZVFWFLSA-N 1 3 328.485 2.756 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001015695223 1312282387 /nfs/dbraw/zinc/28/23/87/1312282387.db2.gz GZAOSNSBIKZEKQ-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001015695223 1312282390 /nfs/dbraw/zinc/28/23/90/1312282390.db2.gz GZAOSNSBIKZEKQ-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163316813 1312288200 /nfs/dbraw/zinc/28/82/00/1312288200.db2.gz QVCFNTSYNBDVBH-MDZRGWNJSA-N 1 3 330.476 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230629233 1312289203 /nfs/dbraw/zinc/28/92/03/1312289203.db2.gz MPRRQEOPCAHDCA-AEFFLSMTSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230629233 1312289207 /nfs/dbraw/zinc/28/92/07/1312289207.db2.gz MPRRQEOPCAHDCA-AEFFLSMTSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[C@@H](Nc1cccc(N2CCC([NH3+])CC2)n1)c1cccc(N)n1 ZINC001163343692 1312293317 /nfs/dbraw/zinc/29/33/17/1312293317.db2.gz OQEXCIWQOROGRD-LJQANCHMSA-N 1 3 340.475 2.796 20 0 EFADHO COc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1OC ZINC000903073328 1312326944 /nfs/dbraw/zinc/32/69/44/1312326944.db2.gz OKVWVBXXQQFTEL-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO COc1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1OC ZINC000903073328 1312326947 /nfs/dbraw/zinc/32/69/47/1312326947.db2.gz OKVWVBXXQQFTEL-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903075666 1312329071 /nfs/dbraw/zinc/32/90/71/1312329071.db2.gz BCIODNVDMNBZOE-SHFXZJCHSA-N 1 3 332.463 2.724 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903075666 1312329074 /nfs/dbraw/zinc/32/90/74/1312329074.db2.gz BCIODNVDMNBZOE-SHFXZJCHSA-N 1 3 332.463 2.724 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076469 1312329802 /nfs/dbraw/zinc/32/98/02/1312329802.db2.gz QNTYHHNYJGOILG-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076469 1312329804 /nfs/dbraw/zinc/32/98/04/1312329804.db2.gz QNTYHHNYJGOILG-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076469 1312329808 /nfs/dbraw/zinc/32/98/08/1312329808.db2.gz QNTYHHNYJGOILG-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076467 1312329905 /nfs/dbraw/zinc/32/99/05/1312329905.db2.gz QNTYHHNYJGOILG-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076467 1312329908 /nfs/dbraw/zinc/32/99/08/1312329908.db2.gz QNTYHHNYJGOILG-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076467 1312329912 /nfs/dbraw/zinc/32/99/12/1312329912.db2.gz QNTYHHNYJGOILG-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO c1cc(N[C@H]2CCCC[C@@]23CNCCO3)cc(N2CCCCC2)[nH+]1 ZINC001163649963 1312354715 /nfs/dbraw/zinc/35/47/15/1312354715.db2.gz HHZQLYGEBHXONW-PKOBYXMFSA-N 1 3 330.476 2.785 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107266 1312361304 /nfs/dbraw/zinc/36/13/04/1312361304.db2.gz PLBVFSMOAJWQMU-RRFJBIMHSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107266 1312361308 /nfs/dbraw/zinc/36/13/08/1312361308.db2.gz PLBVFSMOAJWQMU-RRFJBIMHSA-N 1 3 325.497 2.895 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015793658 1312363023 /nfs/dbraw/zinc/36/30/23/1312363023.db2.gz BXMDROZLNMVHAP-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015793658 1312363026 /nfs/dbraw/zinc/36/30/26/1312363026.db2.gz BXMDROZLNMVHAP-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796663 1312367024 /nfs/dbraw/zinc/36/70/24/1312367024.db2.gz ZIMHFVFTEGHMDX-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796663 1312367027 /nfs/dbraw/zinc/36/70/27/1312367027.db2.gz ZIMHFVFTEGHMDX-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)Cc1cccnc1 ZINC001230871864 1312375741 /nfs/dbraw/zinc/37/57/41/1312375741.db2.gz SEAZARZJQPEZOX-LJQANCHMSA-N 1 3 348.535 2.776 20 0 EFADHO CCN(CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001230899085 1312384807 /nfs/dbraw/zinc/38/48/07/1312384807.db2.gz SAWMPKPUVIGZGW-OALUTQOASA-N 1 3 346.519 2.530 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2Cl)CC1 ZINC001163820916 1312387622 /nfs/dbraw/zinc/38/76/22/1312387622.db2.gz JOLHMXINUISWIH-KRWDZBQOSA-N 1 3 349.906 2.810 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@H+](CCC(C)C)Cc1cccnc1 ZINC001230906740 1312387808 /nfs/dbraw/zinc/38/78/08/1312387808.db2.gz UKFYIPLXSFWNGC-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@@H+](CCC(C)C)Cc1cccnc1 ZINC001230906740 1312387810 /nfs/dbraw/zinc/38/78/10/1312387810.db2.gz UKFYIPLXSFWNGC-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049038361 1312390948 /nfs/dbraw/zinc/39/09/48/1312390948.db2.gz GBKYKZQLTNIGCE-IJXRJRJASA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049038361 1312390950 /nfs/dbraw/zinc/39/09/50/1312390950.db2.gz GBKYKZQLTNIGCE-IJXRJRJASA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049037921 1312391501 /nfs/dbraw/zinc/39/15/01/1312391501.db2.gz BTNOOOOFGTVSOC-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049037921 1312391503 /nfs/dbraw/zinc/39/15/03/1312391503.db2.gz BTNOOOOFGTVSOC-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3C2)C1 ZINC001049055863 1312410976 /nfs/dbraw/zinc/41/09/76/1312410976.db2.gz LAEGTNFBGJWRAT-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]3C2)C1 ZINC001049055863 1312410980 /nfs/dbraw/zinc/41/09/80/1312410980.db2.gz LAEGTNFBGJWRAT-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001049058372 1312412803 /nfs/dbraw/zinc/41/28/03/1312412803.db2.gz XMGMYTXJVSXCIZ-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001049058372 1312412807 /nfs/dbraw/zinc/41/28/07/1312412807.db2.gz XMGMYTXJVSXCIZ-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCCC4)C[C@@H]3C2)C1 ZINC001049059067 1312413559 /nfs/dbraw/zinc/41/35/59/1312413559.db2.gz MINSZWDYLNRSLQ-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCCC4)C[C@@H]3C2)C1 ZINC001049059067 1312413563 /nfs/dbraw/zinc/41/35/63/1312413563.db2.gz MINSZWDYLNRSLQ-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059538 1312413997 /nfs/dbraw/zinc/41/39/97/1312413997.db2.gz UEVMPBXHWYPCGC-KDURUIRLSA-N 1 3 345.531 2.609 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059538 1312414000 /nfs/dbraw/zinc/41/40/00/1312414000.db2.gz UEVMPBXHWYPCGC-KDURUIRLSA-N 1 3 345.531 2.609 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001049064360 1312417025 /nfs/dbraw/zinc/41/70/25/1312417025.db2.gz FBOGZJFYXNJRLK-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001049064360 1312417030 /nfs/dbraw/zinc/41/70/30/1312417030.db2.gz FBOGZJFYXNJRLK-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC(=O)OCc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000903159310 1312417347 /nfs/dbraw/zinc/41/73/47/1312417347.db2.gz FZNLVEBLTQWXIE-DLBZAZTESA-N 1 3 348.487 2.901 20 0 EFADHO CC(=O)OCc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000903159310 1312417348 /nfs/dbraw/zinc/41/73/48/1312417348.db2.gz FZNLVEBLTQWXIE-DLBZAZTESA-N 1 3 348.487 2.901 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097188 1312452891 /nfs/dbraw/zinc/45/28/91/1312452891.db2.gz HKJPGGNDGGLLRS-INDMIFKZSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097188 1312452893 /nfs/dbraw/zinc/45/28/93/1312452893.db2.gz HKJPGGNDGGLLRS-INDMIFKZSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(CCc3cccs3)C2)CC1 ZINC001015929458 1312453407 /nfs/dbraw/zinc/45/34/07/1312453407.db2.gz VEQONFYIOGSQGA-QGZVFWFLSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001015929954 1312453729 /nfs/dbraw/zinc/45/37/29/1312453729.db2.gz GBPCWJARGLYJDX-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](NCc1cc(N(C)C)ccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000903201878 1312458105 /nfs/dbraw/zinc/45/81/05/1312458105.db2.gz QEZIWTXVNGXDKV-MRXNPFEDSA-N 1 3 342.487 2.939 20 0 EFADHO Cc1noc(-c2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2)c1N ZINC001164213561 1312469818 /nfs/dbraw/zinc/46/98/18/1312469818.db2.gz WIRSOJFGHGPUSM-UHFFFAOYSA-N 1 3 343.475 2.670 20 0 EFADHO CC(C)C(=O)Nc1cccc(NCC2(N(C)C)CC[NH+](C)CC2)c1 ZINC001164213631 1312470089 /nfs/dbraw/zinc/47/00/89/1312470089.db2.gz ZPKMUHXQHRMCTF-UHFFFAOYSA-N 1 3 332.492 2.719 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)C[C@@H]3C2)CC1 ZINC001049130904 1312494453 /nfs/dbraw/zinc/49/44/53/1312494453.db2.gz AHCHDTZRQUCTIK-BGYRXZFFSA-N 1 3 345.531 2.609 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)C[C@@H]3C2)CC1 ZINC001049130904 1312494456 /nfs/dbraw/zinc/49/44/56/1312494456.db2.gz AHCHDTZRQUCTIK-BGYRXZFFSA-N 1 3 345.531 2.609 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998217 1312501212 /nfs/dbraw/zinc/50/12/12/1312501212.db2.gz MWJDUZIKFOVEBT-PXNSSMCTSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998217 1312501216 /nfs/dbraw/zinc/50/12/16/1312501216.db2.gz MWJDUZIKFOVEBT-PXNSSMCTSA-N 1 3 341.499 2.596 20 0 EFADHO CCOc1cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ccc1C ZINC001277534158 1312526313 /nfs/dbraw/zinc/52/63/13/1312526313.db2.gz QGIVJUIJUNJMES-OALUTQOASA-N 1 3 331.504 2.604 20 0 EFADHO CCOc1cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ccc1C ZINC001277534158 1312526315 /nfs/dbraw/zinc/52/63/15/1312526315.db2.gz QGIVJUIJUNJMES-OALUTQOASA-N 1 3 331.504 2.604 20 0 EFADHO CC(C)(C)N1CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001165091200 1312566815 /nfs/dbraw/zinc/56/68/15/1312566815.db2.gz KQOASOPQCHWGOI-UHFFFAOYSA-N 1 3 337.899 2.518 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(CCCOC)CC2)nc1 ZINC001165098105 1312567615 /nfs/dbraw/zinc/56/76/15/1312567615.db2.gz ROXGBVJMQNOEPK-IBGZPJMESA-N 1 3 346.519 2.787 20 0 EFADHO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCN(CCCOC)CC2)nc1 ZINC001165098105 1312567618 /nfs/dbraw/zinc/56/76/18/1312567618.db2.gz ROXGBVJMQNOEPK-IBGZPJMESA-N 1 3 346.519 2.787 20 0 EFADHO CC(C)N1CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C[C@H]1C ZINC001165199432 1312583485 /nfs/dbraw/zinc/58/34/85/1312583485.db2.gz VEFONDVGVGMWTI-CYBMUJFWSA-N 1 3 337.899 2.516 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc2c(n1)CC[NH2+]C2 ZINC001165202055 1312585463 /nfs/dbraw/zinc/58/54/63/1312585463.db2.gz RMGGNARPKHVCJX-DLBZAZTESA-N 1 3 336.483 2.827 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231642 1312605949 /nfs/dbraw/zinc/60/59/49/1312605949.db2.gz HVPDTFSEJLSUHC-PBWTXFEYSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231642 1312605954 /nfs/dbraw/zinc/60/59/54/1312605954.db2.gz HVPDTFSEJLSUHC-PBWTXFEYSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231458 1312606008 /nfs/dbraw/zinc/60/60/08/1312606008.db2.gz BAALBCBSRDZIMQ-LZQZEXGQSA-N 1 3 347.478 2.500 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231458 1312606011 /nfs/dbraw/zinc/60/60/11/1312606011.db2.gz BAALBCBSRDZIMQ-LZQZEXGQSA-N 1 3 347.478 2.500 20 0 EFADHO Cc1nc(N(C)C)cc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165304206 1312606390 /nfs/dbraw/zinc/60/63/90/1312606390.db2.gz OFSLRUPFIUNBOD-LBPRGKRZSA-N 1 3 343.397 2.504 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231856 1312606853 /nfs/dbraw/zinc/60/68/53/1312606853.db2.gz MYCVSJWBUZIIAV-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231856 1312606857 /nfs/dbraw/zinc/60/68/57/1312606857.db2.gz MYCVSJWBUZIIAV-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232991 1312607673 /nfs/dbraw/zinc/60/76/73/1312607673.db2.gz HDXASXPJJFNWBK-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232991 1312607675 /nfs/dbraw/zinc/60/76/75/1312607675.db2.gz HDXASXPJJFNWBK-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001049232947 1312607807 /nfs/dbraw/zinc/60/78/07/1312607807.db2.gz FYIGBXNHEWCDEE-ZCNNSNEGSA-N 1 3 345.531 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001049232947 1312607812 /nfs/dbraw/zinc/60/78/12/1312607812.db2.gz FYIGBXNHEWCDEE-ZCNNSNEGSA-N 1 3 345.531 2.751 20 0 EFADHO CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234793 1312609964 /nfs/dbraw/zinc/60/99/64/1312609964.db2.gz IHMZEFISCICPPY-KSZLIROESA-N 1 3 347.478 2.500 20 0 EFADHO CC[C@H](F)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234793 1312609965 /nfs/dbraw/zinc/60/99/65/1312609965.db2.gz IHMZEFISCICPPY-KSZLIROESA-N 1 3 347.478 2.500 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@H]2C1 ZINC001049235462 1312610342 /nfs/dbraw/zinc/61/03/42/1312610342.db2.gz PXVSVTQEFOYYHD-HGGBWVLCSA-N 1 3 347.890 2.505 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235740 1312610397 /nfs/dbraw/zinc/61/03/97/1312610397.db2.gz TXALBVUERUSFMO-RYQLBKOJSA-N 1 3 347.478 2.500 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235740 1312610401 /nfs/dbraw/zinc/61/04/01/1312610401.db2.gz TXALBVUERUSFMO-RYQLBKOJSA-N 1 3 347.478 2.500 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCNCc1c(Cl)cccc1Cl ZINC001165366618 1312616591 /nfs/dbraw/zinc/61/65/91/1312616591.db2.gz AQBOIBKWZDDLGZ-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001165465051 1312634190 /nfs/dbraw/zinc/63/41/90/1312634190.db2.gz RLCLRVAKOGMYKY-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001165484377 1312636119 /nfs/dbraw/zinc/63/61/19/1312636119.db2.gz CUHXFOARFBYGRI-IBGZPJMESA-N 1 3 343.515 2.711 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484433 1312636133 /nfs/dbraw/zinc/63/61/33/1312636133.db2.gz DPIFZRXMNUSIFG-AEFFLSMTSA-N 1 3 337.552 2.885 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484434 1312636204 /nfs/dbraw/zinc/63/62/04/1312636204.db2.gz DPIFZRXMNUSIFG-FUHWJXTLSA-N 1 3 337.552 2.885 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625332 1312642372 /nfs/dbraw/zinc/64/23/72/1312642372.db2.gz UYCHDXDTKVWAPB-RLLQIKCJSA-N 1 3 337.552 2.682 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001165618028 1312653939 /nfs/dbraw/zinc/65/39/39/1312653939.db2.gz WMBJMXIOJGTWGD-IBGZPJMESA-N 1 3 345.531 2.691 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001165617332 1312654093 /nfs/dbraw/zinc/65/40/93/1312654093.db2.gz LMYORYGEGCLXCK-INIZCTEOSA-N 1 3 337.533 2.710 20 0 EFADHO CN(C)C(=O)CCN1CCC[C@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277636931 1312659159 /nfs/dbraw/zinc/65/91/59/1312659159.db2.gz OJOWEKRDBHAOSK-INIZCTEOSA-N 1 3 349.441 2.595 20 0 EFADHO CN(C)C(=O)CCN1CCC[C@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277636931 1312659162 /nfs/dbraw/zinc/65/91/62/1312659162.db2.gz OJOWEKRDBHAOSK-INIZCTEOSA-N 1 3 349.441 2.595 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126122 1314437719 /nfs/dbraw/zinc/43/77/19/1314437719.db2.gz NIYGQRPPVJYMRP-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO Fc1ccnc(C[NH2+][C@@]23CC[C@@](NCc4cn[nH]c4)(C2)CCC3)c1 ZINC001276696365 1314459782 /nfs/dbraw/zinc/45/97/82/1314459782.db2.gz PQWAPBJKZMWVJR-MSOLQXFVSA-N 1 3 329.423 2.669 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001211229164 1314460496 /nfs/dbraw/zinc/46/04/96/1314460496.db2.gz PMTJRVCZQSMROD-SFHVURJKSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241982 1314462656 /nfs/dbraw/zinc/46/26/56/1314462656.db2.gz XQJMFRXEBKGRRV-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001211241418 1314462663 /nfs/dbraw/zinc/46/26/63/1314462663.db2.gz UTTDNRLCEFEYFE-AWEZNQCLSA-N 1 3 348.318 2.762 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241711 1314462769 /nfs/dbraw/zinc/46/27/69/1314462769.db2.gz WTNRQODPPVVGQR-QZTJIDSGSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250524 1314463614 /nfs/dbraw/zinc/46/36/14/1314463614.db2.gz VDCALLCPNLTFAB-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211251106 1314463880 /nfs/dbraw/zinc/46/38/80/1314463880.db2.gz ZQMHYWGZVJMAAJ-WMZOPIPTSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001211283605 1314468970 /nfs/dbraw/zinc/46/89/70/1314468970.db2.gz HGTVGEGJOIEEBK-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001211283233 1314469143 /nfs/dbraw/zinc/46/91/43/1314469143.db2.gz FTHPLKLDGBJSDU-MRXNPFEDSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001211286030 1314469783 /nfs/dbraw/zinc/46/97/83/1314469783.db2.gz RYUOLRDARCREQX-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001211286031 1314469824 /nfs/dbraw/zinc/46/98/24/1314469824.db2.gz RYUOLRDARCREQX-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376963 1314487837 /nfs/dbraw/zinc/48/78/37/1314487837.db2.gz QNZSFPAIVMAILU-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376963 1314487840 /nfs/dbraw/zinc/48/78/40/1314487840.db2.gz QNZSFPAIVMAILU-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001052933715 1314493133 /nfs/dbraw/zinc/49/31/33/1314493133.db2.gz DLKILHMHVAMHAM-ZWKOTPCHSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001052933715 1314493135 /nfs/dbraw/zinc/49/31/35/1314493135.db2.gz DLKILHMHVAMHAM-ZWKOTPCHSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001052936214 1314495575 /nfs/dbraw/zinc/49/55/75/1314495575.db2.gz YQZATBROEOCKAT-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001052936214 1314495581 /nfs/dbraw/zinc/49/55/81/1314495581.db2.gz YQZATBROEOCKAT-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001052936215 1314496270 /nfs/dbraw/zinc/49/62/70/1314496270.db2.gz YQZATBROEOCKAT-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001052936215 1314496275 /nfs/dbraw/zinc/49/62/75/1314496275.db2.gz YQZATBROEOCKAT-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)c1 ZINC001019810763 1314513346 /nfs/dbraw/zinc/51/33/46/1314513346.db2.gz JDGSYZWMUOMFSW-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC001019815716 1314514719 /nfs/dbraw/zinc/51/47/19/1314514719.db2.gz LOOLTMPEWMVGME-SJORKVTESA-N 1 3 347.478 2.953 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019820218 1314515476 /nfs/dbraw/zinc/51/54/76/1314515476.db2.gz AVBQGLOICGPDQP-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001019820528 1314516304 /nfs/dbraw/zinc/51/63/04/1314516304.db2.gz OBPSSVOFEBEHGH-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001019820528 1314516305 /nfs/dbraw/zinc/51/63/05/1314516305.db2.gz OBPSSVOFEBEHGH-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001019820424 1314516382 /nfs/dbraw/zinc/51/63/82/1314516382.db2.gz JYJKULOPZXHBHO-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958837 1314518792 /nfs/dbraw/zinc/51/87/92/1314518792.db2.gz PTMIYBSLHYTRPA-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958837 1314518796 /nfs/dbraw/zinc/51/87/96/1314518796.db2.gz PTMIYBSLHYTRPA-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052985935 1314543414 /nfs/dbraw/zinc/54/34/14/1314543414.db2.gz ALSWPBTYSDCDRX-NXHRZFHOSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986952 1314543651 /nfs/dbraw/zinc/54/36/51/1314543651.db2.gz XWIOTBCWWXLMBP-XCLNPWKQSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986952 1314543656 /nfs/dbraw/zinc/54/36/56/1314543656.db2.gz XWIOTBCWWXLMBP-XCLNPWKQSA-N 1 3 345.531 2.582 20 0 EFADHO CC[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(C)C)CC1 ZINC001052989416 1314545577 /nfs/dbraw/zinc/54/55/77/1314545577.db2.gz DQEHMQKASAKWEI-KSZLIROESA-N 1 3 339.499 2.530 20 0 EFADHO CC[C@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC(C)C)CC1 ZINC001052989416 1314545574 /nfs/dbraw/zinc/54/55/74/1314545574.db2.gz DQEHMQKASAKWEI-KSZLIROESA-N 1 3 339.499 2.530 20 0 EFADHO CC[C@H]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052990415 1314546543 /nfs/dbraw/zinc/54/65/43/1314546543.db2.gz CIVPNSRRDCDVGQ-FFGOWVMKSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1C ZINC001245970117 1314557379 /nfs/dbraw/zinc/55/73/79/1314557379.db2.gz AGZWBJQUSZXFST-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245983000 1314559237 /nfs/dbraw/zinc/55/92/37/1314559237.db2.gz KPULYEFZMQGKJF-LQJIQPLVSA-N 1 3 346.515 2.702 20 0 EFADHO O[C@H](C[NH2+][C@H]1CCCCNC1)COCc1c(Cl)cccc1Cl ZINC001245985588 1314559904 /nfs/dbraw/zinc/55/99/04/1314559904.db2.gz UYSRHWNKJQWXQI-QWHCGFSZSA-N 1 3 347.286 2.603 20 0 EFADHO O[C@]1(C[NH2+]CCc2ccc(Oc3ccccc3)cc2)CCCNC1 ZINC001245988369 1314560552 /nfs/dbraw/zinc/56/05/52/1314560552.db2.gz PBDQIIFVSYRRIA-HXUWFJFHSA-N 1 3 326.440 2.726 20 0 EFADHO O[C@]1(CNCCc2ccc(Oc3ccccc3)cc2)CCC[NH2+]C1 ZINC001245988369 1314560554 /nfs/dbraw/zinc/56/05/54/1314560554.db2.gz PBDQIIFVSYRRIA-HXUWFJFHSA-N 1 3 326.440 2.726 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245992429 1314561557 /nfs/dbraw/zinc/56/15/57/1314561557.db2.gz ISZWHSFTBZEBFO-MDASCCDHSA-N 1 3 332.875 2.792 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245995078 1314562620 /nfs/dbraw/zinc/56/26/20/1314562620.db2.gz SFXNHPGOCPRSCY-SZVBFZGTSA-N 1 3 334.504 2.702 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246000880 1314563136 /nfs/dbraw/zinc/56/31/36/1314563136.db2.gz JVEPEWNDCNEXPN-VQTJNVASSA-N 1 3 348.437 2.938 20 0 EFADHO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@]1(O)CCCNC1 ZINC001246000611 1314563372 /nfs/dbraw/zinc/56/33/72/1314563372.db2.gz NBROOCPNXHNEIC-INIZCTEOSA-N 1 3 330.394 2.731 20 0 EFADHO CC(C)(Cc1ccccc1C(F)(F)F)[NH2+]C[C@]1(O)CCCNC1 ZINC001246004579 1314564590 /nfs/dbraw/zinc/56/45/90/1314564590.db2.gz INOWTJCBQSDLGB-INIZCTEOSA-N 1 3 330.394 2.731 20 0 EFADHO CC(C)(Cc1ccccc1C(F)(F)F)NC[C@]1(O)CCC[NH2+]C1 ZINC001246004579 1314564592 /nfs/dbraw/zinc/56/45/92/1314564592.db2.gz INOWTJCBQSDLGB-INIZCTEOSA-N 1 3 330.394 2.731 20 0 EFADHO CCC1(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC001246006529 1314564709 /nfs/dbraw/zinc/56/47/09/1314564709.db2.gz KYJFTUUZJGMWPX-KRWDZBQOSA-N 1 3 334.504 2.846 20 0 EFADHO CCC1([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CCNCC1 ZINC001246006529 1314564712 /nfs/dbraw/zinc/56/47/12/1314564712.db2.gz KYJFTUUZJGMWPX-KRWDZBQOSA-N 1 3 334.504 2.846 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001246015549 1314565889 /nfs/dbraw/zinc/56/58/89/1314565889.db2.gz PAUKKGAYOPIMMZ-STQMWFEESA-N 1 3 349.302 2.834 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001246018396 1314566569 /nfs/dbraw/zinc/56/65/69/1314566569.db2.gz FIKVXEVOPASOMD-ICSRJNTNSA-N 1 3 346.515 2.702 20 0 EFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@@H](O)COc1cccc2ccccc21 ZINC001246026537 1314568589 /nfs/dbraw/zinc/56/85/89/1314568589.db2.gz VVIYGRZKFVNNEL-BPQIPLTHSA-N 1 3 328.456 2.639 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246027763 1314570054 /nfs/dbraw/zinc/57/00/54/1314570054.db2.gz JAAFTACWOIXLMY-NHCUHLMSSA-N 1 3 346.515 2.810 20 0 EFADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246035934 1314570829 /nfs/dbraw/zinc/57/08/29/1314570829.db2.gz VCYNOQCDTOLAAO-ZMMAXQRCSA-N 1 3 336.907 2.939 20 0 EFADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246035934 1314570835 /nfs/dbraw/zinc/57/08/35/1314570835.db2.gz VCYNOQCDTOLAAO-ZMMAXQRCSA-N 1 3 336.907 2.939 20 0 EFADHO C[C@@H]1CC[C@@H](C[NH3+])CN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246034409 1314570936 /nfs/dbraw/zinc/57/09/36/1314570936.db2.gz NLGVWGUWKHIJNC-RYRKJORJSA-N 1 3 334.504 2.783 20 0 EFADHO C[C@](O)(CN1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)c1ccccc1 ZINC001246037303 1314571081 /nfs/dbraw/zinc/57/10/81/1314571081.db2.gz RRZLMTYMOCFQDD-BHIFYINESA-N 1 3 336.479 2.973 20 0 EFADHO O[C@]1(CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC[NH2+]C1 ZINC001246041762 1314572553 /nfs/dbraw/zinc/57/25/53/1314572553.db2.gz BNDKPHFWVFHQEW-OAQYLSRUSA-N 1 3 336.479 2.793 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001246045897 1314573357 /nfs/dbraw/zinc/57/33/57/1314573357.db2.gz LPEUNPJRXIBXKS-SFHVURJKSA-N 1 3 346.515 2.799 20 0 EFADHO O[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051672 1314574530 /nfs/dbraw/zinc/57/45/30/1314574530.db2.gz HBADGYRVVALRNI-CVEARBPZSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051672 1314574534 /nfs/dbraw/zinc/57/45/34/1314574534.db2.gz HBADGYRVVALRNI-CVEARBPZSA-N 1 3 328.378 2.957 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN(CCC)C[C@H]1CC[NH2+]C1 ZINC001246065241 1314577988 /nfs/dbraw/zinc/57/79/88/1314577988.db2.gz IEKQDEXECCADAK-FHWLQOOXSA-N 1 3 328.541 2.902 20 0 EFADHO CN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC001246066270 1314578486 /nfs/dbraw/zinc/57/84/86/1314578486.db2.gz SUDWKKRFAJKKMF-XUVXKRRUSA-N 1 3 346.421 2.815 20 0 EFADHO C[N@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC001246066270 1314578490 /nfs/dbraw/zinc/57/84/90/1314578490.db2.gz SUDWKKRFAJKKMF-XUVXKRRUSA-N 1 3 346.421 2.815 20 0 EFADHO C[N@@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@@H]1CCc2ccccc21 ZINC001246066270 1314578494 /nfs/dbraw/zinc/57/84/94/1314578494.db2.gz SUDWKKRFAJKKMF-XUVXKRRUSA-N 1 3 346.421 2.815 20 0 EFADHO CC(C)(C)C[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC001246070463 1314579251 /nfs/dbraw/zinc/57/92/51/1314579251.db2.gz RGPYBCBFOYTPLD-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC001246070463 1314579254 /nfs/dbraw/zinc/57/92/54/1314579254.db2.gz RGPYBCBFOYTPLD-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)CN(C[C@H](O)COc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246070463 1314579257 /nfs/dbraw/zinc/57/92/57/1314579257.db2.gz RGPYBCBFOYTPLD-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001246070412 1314579682 /nfs/dbraw/zinc/57/96/82/1314579682.db2.gz QRMGSRFPZHFKCO-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001246070412 1314579687 /nfs/dbraw/zinc/57/96/87/1314579687.db2.gz QRMGSRFPZHFKCO-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246070412 1314579693 /nfs/dbraw/zinc/57/96/93/1314579693.db2.gz QRMGSRFPZHFKCO-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO Fc1ccc(OC(F)(F)F)c(CN[C@@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246074616 1314580211 /nfs/dbraw/zinc/58/02/11/1314580211.db2.gz DXDJUHQICCUIES-NSHDSACASA-N 1 3 336.354 2.661 20 0 EFADHO O[C@]1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246094189 1314582255 /nfs/dbraw/zinc/58/22/55/1314582255.db2.gz DIZQRPJFSRLWQV-WMLDXEAASA-N 1 3 343.298 2.945 20 0 EFADHO O[C@]1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCCNC1 ZINC001246094189 1314582256 /nfs/dbraw/zinc/58/22/56/1314582256.db2.gz DIZQRPJFSRLWQV-WMLDXEAASA-N 1 3 343.298 2.945 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246095618 1314582992 /nfs/dbraw/zinc/58/29/92/1314582992.db2.gz JDQAMBBMQBCFPR-CZUORRHYSA-N 1 3 330.394 2.731 20 0 EFADHO C[C@@H]1CC[C@H](CN[C@@H]2CCCN(C(=O)c3ccccc3)CC2)[NH2+]C1 ZINC001246101811 1314583479 /nfs/dbraw/zinc/58/34/79/1314583479.db2.gz BFJHMKGLCIQZNJ-BHIYHBOVSA-N 1 3 329.488 2.659 20 0 EFADHO Brc1ccc2c(c1)C[C@@H](NC[C@]13CCC[C@H]1C[NH2+]C3)C2 ZINC001246132022 1314587008 /nfs/dbraw/zinc/58/70/08/1314587008.db2.gz XRUOVXXKIGRPLJ-BHYGNILZSA-N 1 3 335.289 2.896 20 0 EFADHO CC(=O)Oc1ccc(C2CCC([NH2+][C@@H]3CNCC34CC4)CC2)cc1 ZINC001246132888 1314587420 /nfs/dbraw/zinc/58/74/20/1314587420.db2.gz NDOMUOACQKYJOD-GXOAENINSA-N 1 3 328.456 2.980 20 0 EFADHO C1CC12CNC[C@@H]2[NH2+]C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246136852 1314588875 /nfs/dbraw/zinc/58/88/75/1314588875.db2.gz YFUQNWWNXAZOLC-VJFUWPCTSA-N 1 3 334.504 2.820 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@H]3COc4ccccc4O3)CCN2)cc1 ZINC001246171499 1314592108 /nfs/dbraw/zinc/59/21/08/1314592108.db2.gz QSOMXUDKQLXPJW-OTWHNJEPSA-N 1 3 338.451 2.779 20 0 EFADHO CC[C@H]1CC(NCc2ccccc2N2CCN(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246184343 1314594735 /nfs/dbraw/zinc/59/47/35/1314594735.db2.gz ZWZJLIVOBOKAOR-OALUTQOASA-N 1 3 344.547 2.837 20 0 EFADHO CC[C@@H]1C[C@@H](NCc2ccccc2N2CCN(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246184339 1314594998 /nfs/dbraw/zinc/59/49/98/1314594998.db2.gz ZWZJLIVOBOKAOR-ACDBMABISA-N 1 3 344.547 2.837 20 0 EFADHO CC[C@@H]1CC(NCc2ccccc2N2CCN(C)CC2)C[C@@H](CC)[NH2+]1 ZINC001246184352 1314595167 /nfs/dbraw/zinc/59/51/67/1314595167.db2.gz ZWZJLIVOBOKAOR-RTBURBONSA-N 1 3 344.547 2.837 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246217447 1314598685 /nfs/dbraw/zinc/59/86/85/1314598685.db2.gz GPQMOIMRNIVEFD-APHBMKBZSA-N 1 3 329.271 2.817 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@H](C)CCc1ccc(Br)cc1 ZINC001246217433 1314598842 /nfs/dbraw/zinc/59/88/42/1314598842.db2.gz GOVWZADOBURICC-DAXOMENPSA-N 1 3 341.293 2.737 20 0 EFADHO Clc1ccc(C2(N[C@H]3CCNC4(C[NH2+]C4)C3)CC2)c(Cl)c1 ZINC001246254419 1314603222 /nfs/dbraw/zinc/60/32/22/1314603222.db2.gz QJJBDZFYEDXJQV-LBPRGKRZSA-N 1 3 326.271 2.666 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CCN1 ZINC001246319951 1314609975 /nfs/dbraw/zinc/60/99/75/1314609975.db2.gz XUGSPTAGLKKDEW-AEFFLSMTSA-N 1 3 325.456 2.933 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CCN1 ZINC001246319952 1314610089 /nfs/dbraw/zinc/61/00/89/1314610089.db2.gz XUGSPTAGLKKDEW-FUHWJXTLSA-N 1 3 325.456 2.933 20 0 EFADHO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246334209 1314611748 /nfs/dbraw/zinc/61/17/48/1314611748.db2.gz OIEQYUNNQYUFMA-ROUUACIJSA-N 1 3 332.488 2.919 20 0 EFADHO Fc1cc(Cl)ccc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246352250 1314614238 /nfs/dbraw/zinc/61/42/38/1314614238.db2.gz BJSPJPFOJOSRCI-MRXNPFEDSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1c(Cl)cccc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246356631 1314615230 /nfs/dbraw/zinc/61/52/30/1314615230.db2.gz VAXVVVMTZVTOLD-OAHLLOKOSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246361813 1314615646 /nfs/dbraw/zinc/61/56/46/1314615646.db2.gz YJZUUJWEPXIIAX-KSSFIOAISA-N 1 3 335.467 2.529 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001053040914 1314620680 /nfs/dbraw/zinc/62/06/80/1314620680.db2.gz WYZQTXRLNXYGQN-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001053040914 1314620683 /nfs/dbraw/zinc/62/06/83/1314620683.db2.gz WYZQTXRLNXYGQN-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CCNCC2)C1 ZINC001246428215 1314627842 /nfs/dbraw/zinc/62/78/42/1314627842.db2.gz FUENBICUBKUUKI-WMZOPIPTSA-N 1 3 330.472 2.977 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020144048 1314631155 /nfs/dbraw/zinc/63/11/55/1314631155.db2.gz OURQVKWNOHZCHY-LKIAZTKLSA-N 1 3 335.536 2.922 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CCN1 ZINC001246457333 1314631738 /nfs/dbraw/zinc/63/17/38/1314631738.db2.gz JIUBSHIZJQWTMH-HOTGVXAUSA-N 1 3 341.421 2.624 20 0 EFADHO CC(C)(C)[C@H](CN1CCOCC1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246486479 1314635573 /nfs/dbraw/zinc/63/55/73/1314635573.db2.gz BVHVINILJIZNLA-ROUUACIJSA-N 1 3 337.552 2.778 20 0 EFADHO CN1CCC([NH2+]CCCC[C@H](N)C(=O)SCc2ccccc2)CC1 ZINC001246493006 1314636536 /nfs/dbraw/zinc/63/65/36/1314636536.db2.gz VYKCQRMDJZTJAC-SFHVURJKSA-N 1 3 349.544 2.628 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001020150868 1314637430 /nfs/dbraw/zinc/63/74/30/1314637430.db2.gz BQCXADFECMTSPP-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CCCC[C@@H]1C[C@H](N[C@H](CN2CCOCC2)C(C)(C)C)CC[NH2+]1 ZINC001246495356 1314637878 /nfs/dbraw/zinc/63/78/78/1314637878.db2.gz XDAOYPODLPNOOH-KZNAEPCWSA-N 1 3 325.541 2.634 20 0 EFADHO C[NH2+]CC[C@@H](C)NC[C@H]1COc2ccc(Br)cc2C1 ZINC001246513972 1314640764 /nfs/dbraw/zinc/64/07/64/1314640764.db2.gz ZDZSRXRFASKGMU-NEPJUHHUSA-N 1 3 327.266 2.588 20 0 EFADHO Brc1ccc2c(c1)C[C@@H]([NH2+][C@H](C1CC1)C1CNC1)CC2 ZINC001246520456 1314641134 /nfs/dbraw/zinc/64/11/34/1314641134.db2.gz WHSCOBNQVYSUQN-DLBZAZTESA-N 1 3 335.289 2.894 20 0 EFADHO C[C@@H](Cc1ccccc1Br)N1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543470 1314645107 /nfs/dbraw/zinc/64/51/07/1314645107.db2.gz NKKSIXRKBCEZIR-BBRMVZONSA-N 1 3 341.293 2.556 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246554931 1314646815 /nfs/dbraw/zinc/64/68/15/1314646815.db2.gz ADOKTEQXWQWGTF-BBRMVZONSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246554931 1314646808 /nfs/dbraw/zinc/64/68/08/1314646808.db2.gz ADOKTEQXWQWGTF-BBRMVZONSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246554931 1314646812 /nfs/dbraw/zinc/64/68/12/1314646812.db2.gz ADOKTEQXWQWGTF-BBRMVZONSA-N 1 3 328.909 2.996 20 0 EFADHO COc1cc(C[C@@H](C)N2CCC[C@@](C)([NH3+])CC2)cc(OC)c1OC ZINC001246552389 1314646869 /nfs/dbraw/zinc/64/68/69/1314646869.db2.gz OEPYOCAYBVLCGN-AUUYWEPGSA-N 1 3 336.476 2.847 20 0 EFADHO NC[C@@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246579940 1314651100 /nfs/dbraw/zinc/65/11/00/1314651100.db2.gz DIEJXXAJDDUKQJ-DAABDDCCSA-N 1 3 341.499 2.883 20 0 EFADHO NC[C@@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246579940 1314651105 /nfs/dbraw/zinc/65/11/05/1314651105.db2.gz DIEJXXAJDDUKQJ-DAABDDCCSA-N 1 3 341.499 2.883 20 0 EFADHO [NH3+]C[C@]1(F)CCCCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246585093 1314652287 /nfs/dbraw/zinc/65/22/87/1314652287.db2.gz YQGVKPXVRZINMF-UYAOXDASSA-N 1 3 347.478 2.721 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]1CNCCC2 ZINC001246596121 1314654531 /nfs/dbraw/zinc/65/45/31/1314654531.db2.gz OVUHYPHOZOKHCR-LMNJBCLMSA-N 1 3 344.499 2.791 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@H](C)Cc3ccc(C)cc3)C[C@@H]1CNCCC2 ZINC001246596121 1314654534 /nfs/dbraw/zinc/65/45/34/1314654534.db2.gz OVUHYPHOZOKHCR-LMNJBCLMSA-N 1 3 344.499 2.791 20 0 EFADHO Clc1ccc2c(c1)C1(CN2)CC[NH+]([C@H]2CCOC3(CNC3)C2)CC1 ZINC001246599370 1314655108 /nfs/dbraw/zinc/65/51/08/1314655108.db2.gz CMWCXNOGOGTHAS-HNNXBMFYSA-N 1 3 347.890 2.620 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246609926 1314657189 /nfs/dbraw/zinc/65/71/89/1314657189.db2.gz KMCXMCXQDNNNCL-VXLIZBOYSA-N 1 3 334.504 2.964 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([N@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246609926 1314657193 /nfs/dbraw/zinc/65/71/93/1314657193.db2.gz KMCXMCXQDNNNCL-VXLIZBOYSA-N 1 3 334.504 2.964 20 0 EFADHO COc1ccc(Cl)c2c1C[C@H](N1CCC(F)(C[NH3+])CC1)CC2 ZINC001246625820 1314658826 /nfs/dbraw/zinc/65/88/26/1314658826.db2.gz HMXLSGMPDGKLPK-GFCCVEGCSA-N 1 3 326.843 2.969 20 0 EFADHO CC(C)C1CCC(N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CC1 ZINC001246656146 1314665384 /nfs/dbraw/zinc/66/53/84/1314665384.db2.gz JBGRXVOSHHTFMY-UHFFFAOYSA-N 1 3 348.535 2.675 20 0 EFADHO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]2CCCC[C@@H]12 ZINC001246670355 1314667908 /nfs/dbraw/zinc/66/79/08/1314667908.db2.gz BJTGGIAUEYQJJC-RRQVMCLOSA-N 1 3 334.504 2.961 20 0 EFADHO CCOC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]2CCCC[C@@H]12 ZINC001246670355 1314667913 /nfs/dbraw/zinc/66/79/13/1314667913.db2.gz BJTGGIAUEYQJJC-RRQVMCLOSA-N 1 3 334.504 2.961 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CCN1 ZINC001246684304 1314670635 /nfs/dbraw/zinc/67/06/35/1314670635.db2.gz DHXNLXRYSIBITF-DOTOQJQBSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC[NH2+]1 ZINC001246684304 1314670640 /nfs/dbraw/zinc/67/06/40/1314670640.db2.gz DHXNLXRYSIBITF-DOTOQJQBSA-N 1 3 347.528 2.817 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692083 1314671707 /nfs/dbraw/zinc/67/17/07/1314671707.db2.gz MVLZMIACAFPQKP-AYOQOUSVSA-N 1 3 334.435 2.760 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)CNCC[C@@H]2F ZINC001246692083 1314671710 /nfs/dbraw/zinc/67/17/10/1314671710.db2.gz MVLZMIACAFPQKP-AYOQOUSVSA-N 1 3 334.435 2.760 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CCN(CC4CCCC4)C3=O)CC2)CC[NH2+]1 ZINC001246703722 1314673218 /nfs/dbraw/zinc/67/32/18/1314673218.db2.gz RWAAHSFCYDGFOR-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)CCN1 ZINC001246703722 1314673221 /nfs/dbraw/zinc/67/32/21/1314673221.db2.gz RWAAHSFCYDGFOR-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246705562 1314675086 /nfs/dbraw/zinc/67/50/86/1314675086.db2.gz AMUSJHRZJMSFIJ-MDZRGWNJSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705562 1314675091 /nfs/dbraw/zinc/67/50/91/1314675091.db2.gz AMUSJHRZJMSFIJ-MDZRGWNJSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705562 1314675095 /nfs/dbraw/zinc/67/50/95/1314675095.db2.gz AMUSJHRZJMSFIJ-MDZRGWNJSA-N 1 3 347.528 2.817 20 0 EFADHO O=C1C[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CN1c1ccc(F)cc1 ZINC001246717065 1314675592 /nfs/dbraw/zinc/67/55/92/1314675592.db2.gz USAIUKQTYCUBEC-KIOTZQFJSA-N 1 3 343.446 2.538 20 0 EFADHO CC[C@@H]1[N@@H+]([C@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720325 1314675615 /nfs/dbraw/zinc/67/56/15/1314675615.db2.gz IOVXLPGYJJONKC-HYJFEMIMSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@H+]([C@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720325 1314675618 /nfs/dbraw/zinc/67/56/18/1314675618.db2.gz IOVXLPGYJJONKC-HYJFEMIMSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@@H+]([C@@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720327 1314675780 /nfs/dbraw/zinc/67/57/80/1314675780.db2.gz IOVXLPGYJJONKC-LBKNJMOBSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@H+]([C@@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720327 1314675784 /nfs/dbraw/zinc/67/57/84/1314675784.db2.gz IOVXLPGYJJONKC-LBKNJMOBSA-N 1 3 333.520 2.773 20 0 EFADHO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+](C2CCNCC2)C3)c1 ZINC001246728370 1314676228 /nfs/dbraw/zinc/67/62/28/1314676228.db2.gz XTBYWPXBZLGPMR-QUCCMNQESA-N 1 3 329.488 2.761 20 0 EFADHO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@H+](C2CCNCC2)C3)c1 ZINC001246728370 1314676232 /nfs/dbraw/zinc/67/62/32/1314676232.db2.gz XTBYWPXBZLGPMR-QUCCMNQESA-N 1 3 329.488 2.761 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CCN1 ZINC001246728142 1314676805 /nfs/dbraw/zinc/67/68/05/1314676805.db2.gz RVABGGTXCOBIJR-CVEARBPZSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC[NH2+]1 ZINC001246728142 1314676809 /nfs/dbraw/zinc/67/68/09/1314676809.db2.gz RVABGGTXCOBIJR-CVEARBPZSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CCN1 ZINC001246766226 1314678434 /nfs/dbraw/zinc/67/84/34/1314678434.db2.gz MEVQYADWYAEANN-LXDWIVHCSA-N 1 3 342.531 2.754 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@H]3C2)CCN1 ZINC001246766226 1314678438 /nfs/dbraw/zinc/67/84/38/1314678438.db2.gz MEVQYADWYAEANN-LXDWIVHCSA-N 1 3 342.531 2.754 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@@H]3CC[NH2+][C@@H](C)C3)C2)C1=O ZINC001246772620 1314678512 /nfs/dbraw/zinc/67/85/12/1314678512.db2.gz BRAFWWMTDFAVTR-FVJLSDCUSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+]([C@@H]3CCN[C@@H](C)C3)C2)C1=O ZINC001246772620 1314678517 /nfs/dbraw/zinc/67/85/17/1314678517.db2.gz BRAFWWMTDFAVTR-FVJLSDCUSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCN[C@@H](C)C3)C2)C1=O ZINC001246772620 1314678522 /nfs/dbraw/zinc/67/85/22/1314678522.db2.gz BRAFWWMTDFAVTR-FVJLSDCUSA-N 1 3 341.499 2.773 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@H]4CC[NH2+]C(C)(C)C4)C3)CC2=O)cc1 ZINC001246775331 1314680153 /nfs/dbraw/zinc/68/01/53/1314680153.db2.gz GNBTZAKWQKRAEH-RXVVDRJESA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775331 1314680159 /nfs/dbraw/zinc/68/01/59/1314680159.db2.gz GNBTZAKWQKRAEH-RXVVDRJESA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775331 1314680164 /nfs/dbraw/zinc/68/01/64/1314680164.db2.gz GNBTZAKWQKRAEH-RXVVDRJESA-N 1 3 341.499 2.954 20 0 EFADHO Brc1cccc([C@H]2CN([C@@H]3CCCC[NH2+]C3)CCN2)c1 ZINC001246805385 1314686298 /nfs/dbraw/zinc/68/62/98/1314686298.db2.gz IXDFZPAQLLABDZ-HZPDHXFCSA-N 1 3 338.293 2.538 20 0 EFADHO Brc1cccc([C@H]2CN([C@@H]3CCC[NH2+]CC3)CCN2)c1 ZINC001246803358 1314685199 /nfs/dbraw/zinc/68/51/99/1314685199.db2.gz CAVVYJMVXXGRMA-HZPDHXFCSA-N 1 3 338.293 2.538 20 0 EFADHO COC(=O)[C@@H]1C[C@@H](N)C[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804515 1314685492 /nfs/dbraw/zinc/68/54/92/1314685492.db2.gz PZIGLSMTXKJJRO-QGLXBCBXSA-N 1 3 330.472 2.610 20 0 EFADHO COC(=O)[C@@H]1C[C@@H](N)C[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804515 1314685497 /nfs/dbraw/zinc/68/54/97/1314685497.db2.gz PZIGLSMTXKJJRO-QGLXBCBXSA-N 1 3 330.472 2.610 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N)C[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804512 1314685835 /nfs/dbraw/zinc/68/58/35/1314685835.db2.gz PZIGLSMTXKJJRO-IAFLDTSXSA-N 1 3 330.472 2.610 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N)C[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804512 1314685840 /nfs/dbraw/zinc/68/58/40/1314685840.db2.gz PZIGLSMTXKJJRO-IAFLDTSXSA-N 1 3 330.472 2.610 20 0 EFADHO C[C@@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806866 1314685869 /nfs/dbraw/zinc/68/58/69/1314685869.db2.gz OMUDFCNGPFNTCW-KCXAZCMYSA-N 1 3 338.293 2.536 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246823101 1314690027 /nfs/dbraw/zinc/69/00/27/1314690027.db2.gz MYUDOTLRQJOSRG-QXCFHYIPSA-N 1 3 330.472 2.623 20 0 EFADHO CC(C)[C@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246835391 1314692490 /nfs/dbraw/zinc/69/24/90/1314692490.db2.gz RVEPULOJZCAWIJ-MTQWCTHYSA-N 1 3 333.495 2.965 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001053087471 1314692778 /nfs/dbraw/zinc/69/27/78/1314692778.db2.gz LDGKSEQPTKPIHB-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001053087471 1314692784 /nfs/dbraw/zinc/69/27/84/1314692784.db2.gz LDGKSEQPTKPIHB-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246835723 1314693095 /nfs/dbraw/zinc/69/30/95/1314693095.db2.gz UFZRKPQOHCFFSQ-USYVTKNRSA-N 1 3 331.479 2.862 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087795 1314693630 /nfs/dbraw/zinc/69/36/30/1314693630.db2.gz OAYPNBJKYVQLHM-PKOBYXMFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087795 1314693633 /nfs/dbraw/zinc/69/36/33/1314693633.db2.gz OAYPNBJKYVQLHM-PKOBYXMFSA-N 1 3 335.536 2.972 20 0 EFADHO N[C@]12CC[C@H]1C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851754 1314696946 /nfs/dbraw/zinc/69/69/46/1314696946.db2.gz HGCANVDMPKGWSP-AFDCHOCNSA-N 1 3 325.500 2.995 20 0 EFADHO N[C@]12CC[C@H]1C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851754 1314696951 /nfs/dbraw/zinc/69/69/51/1314696951.db2.gz HGCANVDMPKGWSP-AFDCHOCNSA-N 1 3 325.500 2.995 20 0 EFADHO c1ccc2c(c1)CCC[C@@H]2N1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873090 1314699942 /nfs/dbraw/zinc/69/99/42/1314699942.db2.gz DJFDAJDABSLVED-PXCRPINLSA-N 1 3 325.500 2.965 20 0 EFADHO O=C(OC1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1)c1ccccc1 ZINC001246870714 1314700414 /nfs/dbraw/zinc/70/04/14/1314700414.db2.gz ZDJKBAUVUXLHMM-FLODPWGTSA-N 1 3 328.456 2.838 20 0 EFADHO O=C(OC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)NC3)CC1)c1ccccc1 ZINC001246870714 1314700416 /nfs/dbraw/zinc/70/04/16/1314700416.db2.gz ZDJKBAUVUXLHMM-FLODPWGTSA-N 1 3 328.456 2.838 20 0 EFADHO c1ccc2c(c1)CCC[C@@H]2N1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873094 1314700431 /nfs/dbraw/zinc/70/04/31/1314700431.db2.gz DJFDAJDABSLVED-VHRCFOOQSA-N 1 3 325.500 2.965 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246890244 1314704248 /nfs/dbraw/zinc/70/42/48/1314704248.db2.gz HVYGKTFHCNGLTP-KZNAEPCWSA-N 1 3 342.524 2.833 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939051 1314711687 /nfs/dbraw/zinc/71/16/87/1314711687.db2.gz SBGMATBQHJCFEB-IMJJTQAJSA-N 1 3 333.442 2.914 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939051 1314711690 /nfs/dbraw/zinc/71/16/90/1314711690.db2.gz SBGMATBQHJCFEB-IMJJTQAJSA-N 1 3 333.442 2.914 20 0 EFADHO c1ccc(C[C@H]2C[C@H](N3CCN[C@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246944948 1314712324 /nfs/dbraw/zinc/71/23/24/1314712324.db2.gz UOMJKXGDPGEDRB-BDTNDASRSA-N 1 3 335.495 2.996 20 0 EFADHO COC(=O)[C@H]1CN(C2CCC(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC001246947162 1314713130 /nfs/dbraw/zinc/71/31/30/1314713130.db2.gz JDLDVGLNJLHDRX-BTRQGYIVSA-N 1 3 330.472 2.610 20 0 EFADHO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001246950168 1314713216 /nfs/dbraw/zinc/71/32/16/1314713216.db2.gz VQIBFFIXQBGOIE-MFMKDUOCSA-N 1 3 334.504 2.628 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099342 1314714228 /nfs/dbraw/zinc/71/42/28/1314714228.db2.gz VMZACDYDDPLANF-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099342 1314714232 /nfs/dbraw/zinc/71/42/32/1314714232.db2.gz VMZACDYDDPLANF-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001214634295 1314717727 /nfs/dbraw/zinc/71/77/27/1314717727.db2.gz IOJCCHIDMWNZQI-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013533 1314730754 /nfs/dbraw/zinc/73/07/54/1314730754.db2.gz ZKZXAWWBVKYTMR-ZBFHGGJFSA-N 1 3 339.405 2.764 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013533 1314730757 /nfs/dbraw/zinc/73/07/57/1314730757.db2.gz ZKZXAWWBVKYTMR-ZBFHGGJFSA-N 1 3 339.405 2.764 20 0 EFADHO Fc1cccc2c1nc(-c1ccc3n1CCNC3)n2C1CC[NH2+]CC1 ZINC001247024377 1314733273 /nfs/dbraw/zinc/73/32/73/1314733273.db2.gz PXCQZCPTDWLQMC-UHFFFAOYSA-N 1 3 339.418 2.672 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020340645 1314739346 /nfs/dbraw/zinc/73/93/46/1314739346.db2.gz UTTPDZAJBWKUHL-ZHALLVOQSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020340645 1314739350 /nfs/dbraw/zinc/73/93/50/1314739350.db2.gz UTTPDZAJBWKUHL-ZHALLVOQSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214855303 1314748192 /nfs/dbraw/zinc/74/81/92/1314748192.db2.gz BQJIBKVCOQJDGG-ATZDWAIDSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214861346 1314749566 /nfs/dbraw/zinc/74/95/66/1314749566.db2.gz RLDCGSYKOKKJMR-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)c1 ZINC001215001921 1314767049 /nfs/dbraw/zinc/76/70/49/1314767049.db2.gz UQXBCINSVVSVFT-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001215001332 1314767156 /nfs/dbraw/zinc/76/71/56/1314767156.db2.gz DOHOBIGNYUENNC-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001214998221 1314767306 /nfs/dbraw/zinc/76/73/06/1314767306.db2.gz RXHVRTRQJNUXHF-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001215001356 1314767361 /nfs/dbraw/zinc/76/73/61/1314767361.db2.gz FIWKFYVZVHNLDG-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@@H](N)C(C)(C)C)n3)c2)CC1 ZINC001247507350 1314794915 /nfs/dbraw/zinc/79/49/15/1314794915.db2.gz KSZWGWCSQHDGOD-MRXNPFEDSA-N 1 3 343.475 2.530 20 0 EFADHO C[C@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1Cl ZINC001215458590 1314838332 /nfs/dbraw/zinc/83/83/32/1314838332.db2.gz AHOSHNJJIBYYQZ-JKIFEVAISA-N 1 3 337.895 2.789 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1)[NH+](CC)CC ZINC001215518475 1314844687 /nfs/dbraw/zinc/84/46/87/1314844687.db2.gz BVQQFFHGPPCHFA-LZQZEXGQSA-N 1 3 349.494 2.883 20 0 EFADHO c1ccc(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247832205 1314849220 /nfs/dbraw/zinc/84/92/20/1314849220.db2.gz WHXIBNPAOLOTMW-KRWDZBQOSA-N 1 3 332.407 2.680 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001215563478 1314851827 /nfs/dbraw/zinc/85/18/27/1314851827.db2.gz IFJOCMNGMXQFBV-SJLPKXTDSA-N 1 3 331.504 2.601 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1F ZINC001276725983 1314856740 /nfs/dbraw/zinc/85/67/40/1314856740.db2.gz ITNIHSUBBHRHSO-YQQQUEKLSA-N 1 3 333.495 2.905 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001215774166 1314876894 /nfs/dbraw/zinc/87/68/94/1314876894.db2.gz KCIAHRXXCWZRMA-RBSFLKMASA-N 1 3 349.441 2.638 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001215994115 1314898377 /nfs/dbraw/zinc/89/83/77/1314898377.db2.gz QQGSOJJHEBEPJW-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)cc1 ZINC001216002597 1314899419 /nfs/dbraw/zinc/89/94/19/1314899419.db2.gz WXCLXIYRSHBFBW-YLJYHZDGSA-N 1 3 345.531 2.570 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001216002697 1314899551 /nfs/dbraw/zinc/89/95/51/1314899551.db2.gz ZJBXYAFNSMINEJ-MDASCCDHSA-N 1 3 347.478 2.591 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001216002328 1314900106 /nfs/dbraw/zinc/90/01/06/1314900106.db2.gz REIZXQQBYYHFMX-YONSBBCESA-N 1 3 343.515 2.868 20 0 EFADHO Fc1ccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001276733723 1314902594 /nfs/dbraw/zinc/90/25/94/1314902594.db2.gz JWSRYSRSLTXMBP-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO Fc1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001276733723 1314902599 /nfs/dbraw/zinc/90/25/99/1314902599.db2.gz JWSRYSRSLTXMBP-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO CN(C)Cc1cccc(Nc2c[nH+]ccc2N2CCN(C)CC2)c1F ZINC001216228416 1314930608 /nfs/dbraw/zinc/93/06/08/1314930608.db2.gz FYTYIIXVUCKOII-UHFFFAOYSA-N 1 3 343.450 2.778 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001216464961 1314957878 /nfs/dbraw/zinc/95/78/78/1314957878.db2.gz VSKKKQFPOVWGDR-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1nc(F)ccc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276741410 1314960901 /nfs/dbraw/zinc/96/09/01/1314960901.db2.gz JIDUFQSXODDETH-UHFFFAOYSA-N 1 3 343.450 2.740 20 0 EFADHO Cc1nc(F)ccc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276741410 1314960904 /nfs/dbraw/zinc/96/09/04/1314960904.db2.gz JIDUFQSXODDETH-UHFFFAOYSA-N 1 3 343.450 2.740 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001216500062 1314962914 /nfs/dbraw/zinc/96/29/14/1314962914.db2.gz XNRIOAKNCDXHSM-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001216511542 1314964619 /nfs/dbraw/zinc/96/46/19/1314964619.db2.gz SUCYQCFACDTTHG-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO C[NH+]1CCN(c2ccc(Nc3cncn3Cc3ccccc3)nc2)CC1 ZINC001216550458 1314970243 /nfs/dbraw/zinc/97/02/43/1314970243.db2.gz YEAVSXLDRKRJKR-UHFFFAOYSA-N 1 3 348.454 2.822 20 0 EFADHO COc1ccc2c(OC)ccc(C[N@H+]3C[C@H]4CN(C)C[C@H]4C3)c2c1 ZINC001248828205 1314977125 /nfs/dbraw/zinc/97/71/25/1314977125.db2.gz GEGFOCOBDLIYNX-IYBDPMFKSA-N 1 3 326.440 2.850 20 0 EFADHO COc1ccc2c(OC)ccc(C[N@@H+]3C[C@H]4CN(C)C[C@H]4C3)c2c1 ZINC001248828205 1314977127 /nfs/dbraw/zinc/97/71/27/1314977127.db2.gz GEGFOCOBDLIYNX-IYBDPMFKSA-N 1 3 326.440 2.850 20 0 EFADHO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@@H]([NH3+])CC(F)F ZINC000404291148 1314996512 /nfs/dbraw/zinc/99/65/12/1314996512.db2.gz LCUVYBWHGFHPGP-IVSAIRAKSA-N 1 3 325.447 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1C ZINC001216852063 1315015448 /nfs/dbraw/zinc/01/54/48/1315015448.db2.gz NHZJGXPMTJIWNV-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001216852416 1315015587 /nfs/dbraw/zinc/01/55/87/1315015587.db2.gz YWTKQCLKGSBHKY-YLJYHZDGSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001216851593 1315015730 /nfs/dbraw/zinc/01/57/30/1315015730.db2.gz BHOPAMCOAWNHHI-RHSMWYFYSA-N 1 3 337.895 2.617 20 0 EFADHO c1cc([C@@H]2CCC[NH2+]2)ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217117419 1315036480 /nfs/dbraw/zinc/03/64/80/1315036480.db2.gz YEIPMBCWKMZDCH-INIZCTEOSA-N 1 3 347.422 2.869 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038627275 1315050428 /nfs/dbraw/zinc/05/04/28/1315050428.db2.gz YQCWYHDVUCRLRA-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038627275 1315050432 /nfs/dbraw/zinc/05/04/32/1315050432.db2.gz YQCWYHDVUCRLRA-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO Clc1cncc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001276754466 1315060399 /nfs/dbraw/zinc/06/03/99/1315060399.db2.gz MCEHGNHFHGQFLU-UHFFFAOYSA-N 1 3 345.878 2.530 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2cccc(F)c12 ZINC001276755473 1315070881 /nfs/dbraw/zinc/07/08/81/1315070881.db2.gz LAKLQIVILSQCJF-ROUUACIJSA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2cccc(F)c12 ZINC001276755473 1315070885 /nfs/dbraw/zinc/07/08/85/1315070885.db2.gz LAKLQIVILSQCJF-ROUUACIJSA-N 1 3 330.451 2.517 20 0 EFADHO C[NH+](C)CCOc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001249556349 1315096167 /nfs/dbraw/zinc/09/61/67/1315096167.db2.gz OYGSYJXVYBHBOG-IBGZPJMESA-N 1 3 345.487 2.808 20 0 EFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@@H]2C=CC[NH2+]C2)O1 ZINC001217882227 1315119457 /nfs/dbraw/zinc/11/94/57/1315119457.db2.gz JCQFMPIRDJBZRP-QUCCMNQESA-N 1 3 330.472 2.601 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC001217929522 1315122292 /nfs/dbraw/zinc/12/22/92/1315122292.db2.gz KPDZQBGGHAKYIO-NCXUSEDFSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC001217929522 1315122293 /nfs/dbraw/zinc/12/22/93/1315122293.db2.gz KPDZQBGGHAKYIO-NCXUSEDFSA-N 1 3 330.472 2.638 20 0 EFADHO CC[C@@]1(c2cccc(OC[C@H]3CNCCO3)c2)CCCC[N@H+](C)C1 ZINC001218179406 1315160528 /nfs/dbraw/zinc/16/05/28/1315160528.db2.gz OVYDQWZXCFRWBU-WOJBJXKFSA-N 1 3 332.488 2.817 20 0 EFADHO CC[C@@]1(c2cccc(OC[C@H]3CNCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218179406 1315160529 /nfs/dbraw/zinc/16/05/29/1315160529.db2.gz OVYDQWZXCFRWBU-WOJBJXKFSA-N 1 3 332.488 2.817 20 0 EFADHO CC(C)Oc1ccccc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276777043 1315167020 /nfs/dbraw/zinc/16/70/20/1315167020.db2.gz NFXIOHRNZPIFDM-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038782332 1315176427 /nfs/dbraw/zinc/17/64/27/1315176427.db2.gz SEZHBAPBIZRFCC-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038782332 1315176432 /nfs/dbraw/zinc/17/64/32/1315176432.db2.gz SEZHBAPBIZRFCC-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054041321 1315208512 /nfs/dbraw/zinc/20/85/12/1315208512.db2.gz IXSBIISKJPPPCP-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054041321 1315208516 /nfs/dbraw/zinc/20/85/16/1315208516.db2.gz IXSBIISKJPPPCP-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001218519280 1315209306 /nfs/dbraw/zinc/20/93/06/1315209306.db2.gz UHPQVIDVRBXXLT-VIFPVBQESA-N 1 3 338.399 2.596 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ncccc1-c1ccccc1 ZINC001218583605 1315217939 /nfs/dbraw/zinc/21/79/39/1315217939.db2.gz WJPNKGGCXKCMTR-KRWDZBQOSA-N 1 3 326.444 2.746 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(F)c(Cl)nc1Cl ZINC001218594484 1315220698 /nfs/dbraw/zinc/22/06/98/1315220698.db2.gz JWEWRBPNDAYLPX-VIFPVBQESA-N 1 3 337.226 2.525 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050001 1315222959 /nfs/dbraw/zinc/22/29/59/1315222959.db2.gz PLGHNWIZUAGSSW-QRFRQXIXSA-N 1 3 343.515 2.670 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050001 1315222963 /nfs/dbraw/zinc/22/29/63/1315222963.db2.gz PLGHNWIZUAGSSW-QRFRQXIXSA-N 1 3 343.515 2.670 20 0 EFADHO N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703575 1315233275 /nfs/dbraw/zinc/23/32/75/1315233275.db2.gz FXIMZZNVPHJVKN-FQEVSTJZSA-N 1 3 346.434 2.716 20 0 EFADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218712279 1315233844 /nfs/dbraw/zinc/23/38/44/1315233844.db2.gz GPWAOAUSRUJXHE-HUUCEWRRSA-N 1 3 326.400 2.776 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(-c2ccccc2)nn1C1CCC1 ZINC001218725825 1315234999 /nfs/dbraw/zinc/23/49/99/1315234999.db2.gz HCVIRQSTYYRHIC-INIZCTEOSA-N 1 3 341.459 2.670 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)C2 ZINC001250686604 1315243110 /nfs/dbraw/zinc/24/31/10/1315243110.db2.gz WCPKQBXOMFMZIT-YVSFHVDLSA-N 1 3 338.879 2.685 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@H](O)COc1ccc(Cl)cc1)C2 ZINC001250686604 1315243115 /nfs/dbraw/zinc/24/31/15/1315243115.db2.gz WCPKQBXOMFMZIT-YVSFHVDLSA-N 1 3 338.879 2.685 20 0 EFADHO O[C@@H](C[NH2+]CCc1c[nH]c2ccncc12)COc1ccc(Cl)cc1 ZINC001250689841 1315244093 /nfs/dbraw/zinc/24/40/93/1315244093.db2.gz CJLPSSOJVIPXCS-HNNXBMFYSA-N 1 3 345.830 2.788 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796605 1315246321 /nfs/dbraw/zinc/24/63/21/1315246321.db2.gz SQKKTHKKQGIEIA-HXUWFJFHSA-N 1 3 332.536 2.871 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796605 1315246325 /nfs/dbraw/zinc/24/63/25/1315246325.db2.gz SQKKTHKKQGIEIA-HXUWFJFHSA-N 1 3 332.536 2.871 20 0 EFADHO N[C@@H](C(=O)Nc1ccccc1-c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001218849782 1315250608 /nfs/dbraw/zinc/25/06/08/1315250608.db2.gz KLKPWNUZABRJCK-GOSISDBHSA-N 1 3 345.393 2.897 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001038872088 1315252620 /nfs/dbraw/zinc/25/26/20/1315252620.db2.gz LFXXGDJGWWTLAW-LJQANCHMSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2sc(Cl)nc2c1 ZINC001218902417 1315257530 /nfs/dbraw/zinc/25/75/30/1315257530.db2.gz VHBWZJDOJFLUCG-NSHDSACASA-N 1 3 340.880 2.947 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2cccc(N)c21 ZINC001218919487 1315259218 /nfs/dbraw/zinc/25/92/18/1315259218.db2.gz BBEBELNSWXVSTO-INIZCTEOSA-N 1 3 328.460 2.856 20 0 EFADHO COc1ccc(-c2ccccc2NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218953774 1315264288 /nfs/dbraw/zinc/26/42/88/1315264288.db2.gz TUICTDUTWCVLQJ-LJQANCHMSA-N 1 3 339.439 2.628 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2nc(C(F)(F)F)ccc2c1 ZINC001218964870 1315266114 /nfs/dbraw/zinc/26/61/14/1315266114.db2.gz DTTSUCIFSUAMOH-LBPRGKRZSA-N 1 3 340.349 2.648 20 0 EFADHO COc1cccc([C@H](N)CC(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)c1 ZINC001218997096 1315270830 /nfs/dbraw/zinc/27/08/30/1315270830.db2.gz RLJCMMHTNRCAJD-QFBILLFUSA-N 1 3 339.439 2.801 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219131424 1315284221 /nfs/dbraw/zinc/28/42/21/1315284221.db2.gz DYKFYXRSIAUQIT-INIZCTEOSA-N 1 3 349.450 2.660 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2ncnc(Cl)c2c1 ZINC001219373651 1315305859 /nfs/dbraw/zinc/30/58/59/1315305859.db2.gz WCUQBDNUGQPZSF-AWEZNQCLSA-N 1 3 349.866 2.717 20 0 EFADHO N[C@H](C(=O)Nc1cc(C2CCCCC2)ccc1O)C1CC[NH2+]CC1 ZINC001219400345 1315309803 /nfs/dbraw/zinc/30/98/03/1315309803.db2.gz LFICGLMYUXZPQJ-SFHVURJKSA-N 1 3 331.460 2.705 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001276805116 1315313276 /nfs/dbraw/zinc/31/32/76/1315313276.db2.gz BCJVHRKFTKFUCD-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)ccn1 ZINC001276805116 1315313279 /nfs/dbraw/zinc/31/32/79/1315313279.db2.gz BCJVHRKFTKFUCD-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC001251193746 1315329629 /nfs/dbraw/zinc/32/96/29/1315329629.db2.gz BDCUHNATPTZREK-GBESFXJTSA-N 1 3 332.488 2.765 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC001251193746 1315329633 /nfs/dbraw/zinc/32/96/33/1315329633.db2.gz BDCUHNATPTZREK-GBESFXJTSA-N 1 3 332.488 2.765 20 0 EFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001219649415 1315331394 /nfs/dbraw/zinc/33/13/94/1315331394.db2.gz IRXXCMAJXRXCNH-ZIBATOQPSA-N 1 3 344.286 2.745 20 0 EFADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001219649072 1315331419 /nfs/dbraw/zinc/33/14/19/1315331419.db2.gz DZXSJIZOFOMNIK-COPLHBTASA-N 1 3 344.286 2.745 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669296 1315334634 /nfs/dbraw/zinc/33/46/34/1315334634.db2.gz TWTJVHGKNYNFMM-FQEVSTJZSA-N 1 3 345.531 2.821 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054129170 1315336740 /nfs/dbraw/zinc/33/67/40/1315336740.db2.gz LYVZWECLTZHOHI-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054129170 1315336747 /nfs/dbraw/zinc/33/67/47/1315336747.db2.gz LYVZWECLTZHOHI-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054129568 1315338863 /nfs/dbraw/zinc/33/88/63/1315338863.db2.gz UTBAZRDEFAOWIO-ICSRJNTNSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054129568 1315338865 /nfs/dbraw/zinc/33/88/65/1315338865.db2.gz UTBAZRDEFAOWIO-ICSRJNTNSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](N)CC1CCC1)CC21CC[NH2+]CC1 ZINC001219757308 1315344278 /nfs/dbraw/zinc/34/42/78/1315344278.db2.gz LABABCLWQQPRCF-RBUKOAKNSA-N 1 3 341.499 2.695 20 0 EFADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219779267 1315345991 /nfs/dbraw/zinc/34/59/91/1315345991.db2.gz BDTHQLUGEWQFCS-ZWKOTPCHSA-N 1 3 327.472 2.518 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054140534 1315355639 /nfs/dbraw/zinc/35/56/39/1315355639.db2.gz PFRYLBOJKMSUBZ-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054140534 1315355643 /nfs/dbraw/zinc/35/56/43/1315355643.db2.gz PFRYLBOJKMSUBZ-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054140531 1315355787 /nfs/dbraw/zinc/35/57/87/1315355787.db2.gz PFRYLBOJKMSUBZ-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054140531 1315355790 /nfs/dbraw/zinc/35/57/90/1315355790.db2.gz PFRYLBOJKMSUBZ-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054141264 1315356922 /nfs/dbraw/zinc/35/69/22/1315356922.db2.gz IBYBRCQPJHCLSO-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054141264 1315356925 /nfs/dbraw/zinc/35/69/25/1315356925.db2.gz IBYBRCQPJHCLSO-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941057 1315358031 /nfs/dbraw/zinc/35/80/31/1315358031.db2.gz MKGBUPNBLQYMBB-MOPGFXCFSA-N 1 3 329.488 2.532 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941057 1315358036 /nfs/dbraw/zinc/35/80/36/1315358036.db2.gz MKGBUPNBLQYMBB-MOPGFXCFSA-N 1 3 329.488 2.532 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145343 1315364071 /nfs/dbraw/zinc/36/40/71/1315364071.db2.gz NSNSHUAEGWUEIG-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145343 1315364072 /nfs/dbraw/zinc/36/40/72/1315364072.db2.gz NSNSHUAEGWUEIG-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001219994185 1315364418 /nfs/dbraw/zinc/36/44/18/1315364418.db2.gz GHYYUHDSLDPSQL-HYLHYLHVSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001219994185 1315364422 /nfs/dbraw/zinc/36/44/22/1315364422.db2.gz GHYYUHDSLDPSQL-HYLHYLHVSA-N 1 3 345.531 2.582 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001054145495 1315366281 /nfs/dbraw/zinc/36/62/81/1315366281.db2.gz QUNRNQQOZNXMAT-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001054145495 1315366284 /nfs/dbraw/zinc/36/62/84/1315366284.db2.gz QUNRNQQOZNXMAT-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CN(C)C2CCC2)C3)C1 ZINC001054145921 1315367141 /nfs/dbraw/zinc/36/71/41/1315367141.db2.gz ZZTGIFNQSHURSH-WIXQSORDSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)CN(C)C2CCC2)C3)C1 ZINC001054145921 1315367144 /nfs/dbraw/zinc/36/71/44/1315367144.db2.gz ZZTGIFNQSHURSH-WIXQSORDSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(NC(=O)[C@@H](N)CCCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC001220065881 1315369888 /nfs/dbraw/zinc/36/98/88/1315369888.db2.gz KSFDCPBYNGWGKQ-ZDUSSCGKSA-N 1 3 331.382 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1)[NH+](C)C ZINC001054148131 1315370111 /nfs/dbraw/zinc/37/01/11/1315370111.db2.gz HJAKJFDVQZFOHB-SHNOEDDCSA-N 1 3 341.927 2.640 20 0 EFADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220162866 1315377859 /nfs/dbraw/zinc/37/78/59/1315377859.db2.gz MOGGBEDOVVMOEM-JKBKZWBZSA-N 1 3 341.499 2.908 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@H](c2ccccc2)CCN1 ZINC001220335096 1315400537 /nfs/dbraw/zinc/40/05/37/1315400537.db2.gz ICBXBXFSUIJFSF-DFQSSKMNSA-N 1 3 343.515 2.759 20 0 EFADHO C[NH+](C)CCC(C)(C)NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220386417 1315405483 /nfs/dbraw/zinc/40/54/83/1315405483.db2.gz SMPMTIGTKVAVEU-CQSZACIVSA-N 1 3 345.409 2.942 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054173650 1315409322 /nfs/dbraw/zinc/40/93/22/1315409322.db2.gz FCPUVANGLGVGBS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054173650 1315409326 /nfs/dbraw/zinc/40/93/26/1315409326.db2.gz FCPUVANGLGVGBS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252091295 1315411534 /nfs/dbraw/zinc/41/15/34/1315411534.db2.gz RMIUHWBGERGCHM-IBGZPJMESA-N 1 3 331.504 2.921 20 0 EFADHO CCCC[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001252091296 1315411697 /nfs/dbraw/zinc/41/16/97/1315411697.db2.gz RMIUHWBGERGCHM-LJQANCHMSA-N 1 3 331.504 2.921 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CCCC2)c1 ZINC001039039481 1315412767 /nfs/dbraw/zinc/41/27/67/1315412767.db2.gz FOGOCKFRKQIVJG-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC2CCCC2)c1 ZINC001039039481 1315412770 /nfs/dbraw/zinc/41/27/70/1315412770.db2.gz FOGOCKFRKQIVJG-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCOc1cncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001276813442 1315416379 /nfs/dbraw/zinc/41/63/79/1315416379.db2.gz RZNMJXYRKYNKHY-UXHICEINSA-N 1 3 346.519 2.567 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220491701 1315419321 /nfs/dbraw/zinc/41/93/21/1315419321.db2.gz BVKQTPASEYVITJ-HAGHYFMRSA-N 1 3 341.499 2.816 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220491701 1315419324 /nfs/dbraw/zinc/41/93/24/1315419324.db2.gz BVKQTPASEYVITJ-HAGHYFMRSA-N 1 3 341.499 2.816 20 0 EFADHO N[C@H](CC(=O)NCC1([NH3+])CCCC1)c1cccc(Cl)c1Cl ZINC001220496883 1315420951 /nfs/dbraw/zinc/42/09/51/1315420951.db2.gz GSSWGFHUJOJVQM-GFCCVEGCSA-N 1 3 330.259 2.771 20 0 EFADHO O[C@H](COCc1ccccc1)C[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252282606 1315427649 /nfs/dbraw/zinc/42/76/49/1315427649.db2.gz QMIGJLQUOLBMHB-RTWAWAEBSA-N 1 3 346.515 2.905 20 0 EFADHO O[C@H](COCc1ccccc1)C[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001252282606 1315427653 /nfs/dbraw/zinc/42/76/53/1315427653.db2.gz QMIGJLQUOLBMHB-RTWAWAEBSA-N 1 3 346.515 2.905 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC001252284709 1315428873 /nfs/dbraw/zinc/42/88/73/1315428873.db2.gz CJWMKNMTLGMMEF-PCCBWWKXSA-N 1 3 346.515 2.903 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC001252284709 1315428879 /nfs/dbraw/zinc/42/88/79/1315428879.db2.gz CJWMKNMTLGMMEF-PCCBWWKXSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC001252284709 1315428884 /nfs/dbraw/zinc/42/88/84/1315428884.db2.gz CJWMKNMTLGMMEF-PCCBWWKXSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC001252284709 1315428892 /nfs/dbraw/zinc/42/88/92/1315428892.db2.gz CJWMKNMTLGMMEF-PCCBWWKXSA-N 1 3 346.515 2.903 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CCN(C/C=C\Cl)C2)C1)[NH+](C)C ZINC001054191500 1315432705 /nfs/dbraw/zinc/43/27/05/1315432705.db2.gz HJAKJFDVQZFOHB-UBUVMBRLSA-N 1 3 341.927 2.640 20 0 EFADHO COc1ccc([C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)C2CC2)cc1 ZINC001220638040 1315436307 /nfs/dbraw/zinc/43/63/07/1315436307.db2.gz LYUHXOZTZHKUKX-RBUKOAKNSA-N 1 3 347.503 2.758 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198248 1315444271 /nfs/dbraw/zinc/44/42/71/1315444271.db2.gz SXNHNSBQKKAACJ-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198248 1315444273 /nfs/dbraw/zinc/44/42/73/1315444273.db2.gz SXNHNSBQKKAACJ-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC001220859626 1315457010 /nfs/dbraw/zinc/45/70/10/1315457010.db2.gz HJKFIXGAWGSKNT-STQMWFEESA-N 1 3 331.382 2.585 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NCc2ccccc2C[NH3+])cc1 ZINC001220855295 1315457550 /nfs/dbraw/zinc/45/75/50/1315457550.db2.gz SWICCHZXYACCTH-LJQANCHMSA-N 1 3 339.483 2.629 20 0 EFADHO CCCCOC[C@@H](O)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001252515213 1315461637 /nfs/dbraw/zinc/46/16/37/1315461637.db2.gz LPALBFGIRFLJEG-FQEVSTJZSA-N 1 3 346.515 2.762 20 0 EFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918858 1315464884 /nfs/dbraw/zinc/46/48/84/1315464884.db2.gz JNCKJLHWMQXUNN-MOPGFXCFSA-N 1 3 341.499 2.614 20 0 EFADHO O=C(C[C@@H]1Cc2ccccc2CN1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918858 1315464888 /nfs/dbraw/zinc/46/48/88/1315464888.db2.gz JNCKJLHWMQXUNN-MOPGFXCFSA-N 1 3 341.499 2.614 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972972 1315469453 /nfs/dbraw/zinc/46/94/53/1315469453.db2.gz QGWKQIWWUUKBRB-IBGZPJMESA-N 1 3 347.478 2.596 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)N(C)C ZINC001221032960 1315473458 /nfs/dbraw/zinc/47/34/58/1315473458.db2.gz AIOGSMUZXUELFZ-ZWKOTPCHSA-N 1 3 335.467 2.569 20 0 EFADHO CC1(C)C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001221063528 1315479421 /nfs/dbraw/zinc/47/94/21/1315479421.db2.gz YMPRWGSZZMRJBT-FXAWDEMLSA-N 1 3 329.488 2.545 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221135910 1315486952 /nfs/dbraw/zinc/48/69/52/1315486952.db2.gz HBZSHIWLLGHFOK-KRWDZBQOSA-N 1 3 349.906 2.720 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039115666 1315490825 /nfs/dbraw/zinc/49/08/25/1315490825.db2.gz OHHAQNFJJPYKKU-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039115666 1315490830 /nfs/dbraw/zinc/49/08/30/1315490830.db2.gz OHHAQNFJJPYKKU-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1CCCN(C3CC[NH2+]CC3)C1)C2(C)C ZINC001221199823 1315491147 /nfs/dbraw/zinc/49/11/47/1315491147.db2.gz XABHIRAQXYGBNM-BEIYGRMHSA-N 1 3 347.547 2.637 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1CCC[N@@H+](C3CCNCC3)C1)C2(C)C ZINC001221199823 1315491150 /nfs/dbraw/zinc/49/11/50/1315491150.db2.gz XABHIRAQXYGBNM-BEIYGRMHSA-N 1 3 347.547 2.637 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1CCC[N@H+](C3CCNCC3)C1)C2(C)C ZINC001221199823 1315491154 /nfs/dbraw/zinc/49/11/54/1315491154.db2.gz XABHIRAQXYGBNM-BEIYGRMHSA-N 1 3 347.547 2.637 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039117441 1315493872 /nfs/dbraw/zinc/49/38/72/1315493872.db2.gz WYNHKGCDIJGZNF-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039117441 1315493875 /nfs/dbraw/zinc/49/38/75/1315493875.db2.gz WYNHKGCDIJGZNF-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[PH+](CCNC(=O)[C@@H](N)Cc1c[nH]c2ncccc12)C(C)C ZINC001221254413 1315498307 /nfs/dbraw/zinc/49/83/07/1315498307.db2.gz OGZKMSYALIAZBS-INIZCTEOSA-N 1 3 348.431 2.848 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770570 1315504525 /nfs/dbraw/zinc/50/45/25/1315504525.db2.gz IQFARMGFCAKKEL-AYBZRNKSSA-N 1 3 334.504 2.654 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770570 1315504529 /nfs/dbraw/zinc/50/45/29/1315504529.db2.gz IQFARMGFCAKKEL-AYBZRNKSSA-N 1 3 334.504 2.654 20 0 EFADHO CCC[C@@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252782319 1315507379 /nfs/dbraw/zinc/50/73/79/1315507379.db2.gz OOCVAPUHQKDBKP-WOJBJXKFSA-N 1 3 346.515 2.903 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243425 1315512802 /nfs/dbraw/zinc/51/28/02/1315512802.db2.gz HJRWIKBWTXKLOS-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243425 1315512804 /nfs/dbraw/zinc/51/28/04/1315512804.db2.gz HJRWIKBWTXKLOS-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO Cc1n[nH]c(C)c1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276821213 1315513858 /nfs/dbraw/zinc/51/38/58/1315513858.db2.gz AZCFLINHIJTINH-UHFFFAOYSA-N 1 3 342.491 2.628 20 0 EFADHO Cc1n[nH]c(C)c1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276821213 1315513862 /nfs/dbraw/zinc/51/38/62/1315513862.db2.gz AZCFLINHIJTINH-UHFFFAOYSA-N 1 3 342.491 2.628 20 0 EFADHO CCCCN(CC)[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1F)c1ccccc1 ZINC001221367964 1315515926 /nfs/dbraw/zinc/51/59/26/1315515926.db2.gz VECLXTLKNOYIJU-KURKYZTESA-N 1 3 335.467 2.666 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054244974 1315516894 /nfs/dbraw/zinc/51/68/94/1315516894.db2.gz MGKMJBPHHPYBAO-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054244974 1315516899 /nfs/dbraw/zinc/51/68/99/1315516899.db2.gz MGKMJBPHHPYBAO-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134293 1315517800 /nfs/dbraw/zinc/51/78/00/1315517800.db2.gz OKZUOAAJDQMMQO-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134293 1315517802 /nfs/dbraw/zinc/51/78/02/1315517802.db2.gz OKZUOAAJDQMMQO-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134683 1315519767 /nfs/dbraw/zinc/51/97/67/1315519767.db2.gz UCWYHWMFSHCMNR-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134683 1315519771 /nfs/dbraw/zinc/51/97/71/1315519771.db2.gz UCWYHWMFSHCMNR-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1ccccc1C1CC[NH2+]CC1 ZINC001221400020 1315520606 /nfs/dbraw/zinc/52/06/06/1315520606.db2.gz HDOSDRSXGCWCKZ-IBGZPJMESA-N 1 3 349.478 2.598 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221399131 1315520782 /nfs/dbraw/zinc/52/07/82/1315520782.db2.gz LXEHYJYPBGKSAT-PCCBWWKXSA-N 1 3 349.478 2.701 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001221407293 1315522044 /nfs/dbraw/zinc/52/20/44/1315522044.db2.gz BDBWKDIHQYPURI-WIJAJVKISA-N 1 3 347.547 2.765 20 0 EFADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001221407293 1315522047 /nfs/dbraw/zinc/52/20/47/1315522047.db2.gz BDBWKDIHQYPURI-WIJAJVKISA-N 1 3 347.547 2.765 20 0 EFADHO O[C@]1(CN[C@H]2C[C@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948012 1315539895 /nfs/dbraw/zinc/53/98/95/1315539895.db2.gz HWZFNUXINVKLOL-ACRUOGEOSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@H]2C[C@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948012 1315539896 /nfs/dbraw/zinc/53/98/96/1315539896.db2.gz HWZFNUXINVKLOL-ACRUOGEOSA-N 1 3 340.442 2.908 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039159758 1315556444 /nfs/dbraw/zinc/55/64/44/1315556444.db2.gz XTUQNSDURRTLLH-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039159758 1315556448 /nfs/dbraw/zinc/55/64/48/1315556448.db2.gz XTUQNSDURRTLLH-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159594 1315556555 /nfs/dbraw/zinc/55/65/55/1315556555.db2.gz RYHXRNJVISSLLE-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159594 1315556558 /nfs/dbraw/zinc/55/65/58/1315556558.db2.gz RYHXRNJVISSLLE-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594725 1315558383 /nfs/dbraw/zinc/55/83/83/1315558383.db2.gz ARXBWRBOGODQAE-DRDDEIGGSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594725 1315558385 /nfs/dbraw/zinc/55/83/85/1315558385.db2.gz ARXBWRBOGODQAE-DRDDEIGGSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163623 1315561812 /nfs/dbraw/zinc/56/18/12/1315561812.db2.gz DSKKHYVSGJOFKZ-UYAOXDASSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163623 1315561815 /nfs/dbraw/zinc/56/18/15/1315561815.db2.gz DSKKHYVSGJOFKZ-UYAOXDASSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001039164024 1315562852 /nfs/dbraw/zinc/56/28/52/1315562852.db2.gz HEORNEYBXFPJPZ-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001039164024 1315562854 /nfs/dbraw/zinc/56/28/54/1315562854.db2.gz HEORNEYBXFPJPZ-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001039164022 1315563129 /nfs/dbraw/zinc/56/31/29/1315563129.db2.gz HEORNEYBXFPJPZ-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001039164022 1315563134 /nfs/dbraw/zinc/56/31/34/1315563134.db2.gz HEORNEYBXFPJPZ-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166362 1315566298 /nfs/dbraw/zinc/56/62/98/1315566298.db2.gz YDWTUGSTWBGPTR-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166362 1315566302 /nfs/dbraw/zinc/56/63/02/1315566302.db2.gz YDWTUGSTWBGPTR-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166357 1315566975 /nfs/dbraw/zinc/56/69/75/1315566975.db2.gz YDWTUGSTWBGPTR-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166357 1315566980 /nfs/dbraw/zinc/56/69/80/1315566980.db2.gz YDWTUGSTWBGPTR-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@](O)(C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC001253122500 1315572325 /nfs/dbraw/zinc/57/23/25/1315572325.db2.gz ODVNGYSNBDVKAA-OAQYLSRUSA-N 1 3 339.483 2.791 20 0 EFADHO C[C@](O)(C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC001253121919 1315572509 /nfs/dbraw/zinc/57/25/09/1315572509.db2.gz HGHRYPRFVVLZBW-NRFANRHFSA-N 1 3 339.483 2.791 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001253185129 1315577581 /nfs/dbraw/zinc/57/75/81/1315577581.db2.gz CRVVJGAHSYXCKI-IBGZPJMESA-N 1 3 330.516 2.978 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001253184688 1315577742 /nfs/dbraw/zinc/57/77/42/1315577742.db2.gz IWKOKLYOYYHCHM-UXHICEINSA-N 1 3 346.515 2.728 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC001253216328 1315582344 /nfs/dbraw/zinc/58/23/44/1315582344.db2.gz LWNOJNNYHWAMCA-BZUAXINKSA-N 1 3 341.293 2.597 20 0 EFADHO COCCC1(C[NH2+]C[C@H](O)CNC(C)(C)C)CCC(F)(F)CC1 ZINC001253411080 1315601817 /nfs/dbraw/zinc/60/18/17/1315601817.db2.gz AAOXXHBMZGHNLM-AWEZNQCLSA-N 1 3 336.467 2.557 20 0 EFADHO CC(C)(C)OC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001253479336 1315608727 /nfs/dbraw/zinc/60/87/27/1315608727.db2.gz NERJUPMQLLLBSF-YSTOQKLRSA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)(C)OC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253479336 1315608731 /nfs/dbraw/zinc/60/87/31/1315608731.db2.gz NERJUPMQLLLBSF-YSTOQKLRSA-N 1 3 346.515 2.948 20 0 EFADHO CCCCC[C@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001253555308 1315614764 /nfs/dbraw/zinc/61/47/64/1315614764.db2.gz YLFHOVXYKIBHAJ-NRFANRHFSA-N 1 3 347.547 2.855 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001039213205 1315629319 /nfs/dbraw/zinc/62/93/19/1315629319.db2.gz ISPSOGDCLVGUFK-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001039213205 1315629321 /nfs/dbraw/zinc/62/93/21/1315629321.db2.gz ISPSOGDCLVGUFK-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213715 1315630219 /nfs/dbraw/zinc/63/02/19/1315630219.db2.gz LKDJSZIYBXZCNN-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213715 1315630223 /nfs/dbraw/zinc/63/02/23/1315630223.db2.gz LKDJSZIYBXZCNN-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001000192368 1315647841 /nfs/dbraw/zinc/64/78/41/1315647841.db2.gz MASMSKINFHAASQ-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001000192568 1315648179 /nfs/dbraw/zinc/64/81/79/1315648179.db2.gz MTYSNKWAYLHPSU-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001000192568 1315648182 /nfs/dbraw/zinc/64/81/82/1315648182.db2.gz MTYSNKWAYLHPSU-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001000192364 1315648253 /nfs/dbraw/zinc/64/82/53/1315648253.db2.gz MASMSKINFHAASQ-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227844 1315649680 /nfs/dbraw/zinc/64/96/80/1315649680.db2.gz CNNILLPNWOXMTR-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227844 1315649684 /nfs/dbraw/zinc/64/96/84/1315649684.db2.gz CNNILLPNWOXMTR-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001000314507 1315653508 /nfs/dbraw/zinc/65/35/08/1315653508.db2.gz YBHCCCOJIPDNHW-LPHOPBHVSA-N 1 3 338.455 2.610 20 0 EFADHO OC1(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037226 1315667403 /nfs/dbraw/zinc/66/74/03/1315667403.db2.gz UKFMSIOKMVIYKB-PMACEKPBSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037226 1315667406 /nfs/dbraw/zinc/66/74/06/1315667406.db2.gz UKFMSIOKMVIYKB-PMACEKPBSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@@H+]2CC[C@@]3(C2)CCCCO3)CCN(Cc2ccccc2)CC1 ZINC001254034725 1315667502 /nfs/dbraw/zinc/66/75/02/1315667502.db2.gz GYYYXKNMSMPEEK-OAQYLSRUSA-N 1 3 344.499 2.659 20 0 EFADHO OC1(C[N@H+]2CC[C@@]3(C2)CCCCO3)CCN(Cc2ccccc2)CC1 ZINC001254034725 1315667505 /nfs/dbraw/zinc/66/75/05/1315667505.db2.gz GYYYXKNMSMPEEK-OAQYLSRUSA-N 1 3 344.499 2.659 20 0 EFADHO OC1(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037240 1315667958 /nfs/dbraw/zinc/66/79/58/1315667958.db2.gz UKFMSIOKMVIYKB-WOJBJXKFSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037240 1315667960 /nfs/dbraw/zinc/66/79/60/1315667960.db2.gz UKFMSIOKMVIYKB-WOJBJXKFSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@@H+]2CCC[C@@]3(CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035866 1315667991 /nfs/dbraw/zinc/66/79/91/1315667991.db2.gz KZEYPBUAXHQYIW-HXUWFJFHSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@H+]2CCC[C@@]3(CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035866 1315667992 /nfs/dbraw/zinc/66/79/92/1315667992.db2.gz KZEYPBUAXHQYIW-HXUWFJFHSA-N 1 3 344.499 2.516 20 0 EFADHO CO[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001254042228 1315668565 /nfs/dbraw/zinc/66/85/65/1315668565.db2.gz BISJMIHVGPNCMA-MJGOQNOKSA-N 1 3 332.488 2.513 20 0 EFADHO CO[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001254042228 1315668569 /nfs/dbraw/zinc/66/85/69/1315668569.db2.gz BISJMIHVGPNCMA-MJGOQNOKSA-N 1 3 332.488 2.513 20 0 EFADHO Cc1ccc(CN(C)CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001254043208 1315668771 /nfs/dbraw/zinc/66/87/71/1315668771.db2.gz ZCHGJHJOLRSRQM-UHFFFAOYSA-N 1 3 339.483 2.849 20 0 EFADHO OC1(CNC2(c3cccnc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254051310 1315669090 /nfs/dbraw/zinc/66/90/90/1315669090.db2.gz HRVTZHXDPPFQIU-UHFFFAOYSA-N 1 3 337.467 2.687 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2ccc(C(F)(F)F)cc2)nn1 ZINC001254163024 1315677135 /nfs/dbraw/zinc/67/71/35/1315677135.db2.gz LIVKVYYORJIRLV-UHFFFAOYSA-N 1 3 341.381 2.683 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001254289289 1315691664 /nfs/dbraw/zinc/69/16/64/1315691664.db2.gz SAMVVURFRQGRGV-HLLBOEOZSA-N 1 3 335.289 2.800 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001254289289 1315691667 /nfs/dbraw/zinc/69/16/67/1315691667.db2.gz SAMVVURFRQGRGV-HLLBOEOZSA-N 1 3 335.289 2.800 20 0 EFADHO CCOC(=O)CC1(N[C@H]2CCC[N@H+](C)CC2)Cc2ccccc2C1 ZINC001254500079 1315709996 /nfs/dbraw/zinc/70/99/96/1315709996.db2.gz DFXJXXBEOSWMQG-SFHVURJKSA-N 1 3 330.472 2.551 20 0 EFADHO CCOC(=O)CC1(N[C@H]2CCC[N@@H+](C)CC2)Cc2ccccc2C1 ZINC001254500079 1315709998 /nfs/dbraw/zinc/70/99/98/1315709998.db2.gz DFXJXXBEOSWMQG-SFHVURJKSA-N 1 3 330.472 2.551 20 0 EFADHO CN1CCC[C@H]([NH2+]CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254499359 1315710517 /nfs/dbraw/zinc/71/05/17/1315710517.db2.gz FGHCFYPOYVTABH-HNNXBMFYSA-N 1 3 343.487 2.800 20 0 EFADHO CN1CCC[C@@H]([NH2+]CC2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254499360 1315710528 /nfs/dbraw/zinc/71/05/28/1315710528.db2.gz FGHCFYPOYVTABH-OAHLLOKOSA-N 1 3 343.487 2.800 20 0 EFADHO CN1CCC[C@H]([NH2+]Cc2ccc3nnc(-c4ccccc4)n3c2)CC1 ZINC001254510082 1315711864 /nfs/dbraw/zinc/71/18/64/1315711864.db2.gz LMXUIIREWIIGGJ-SFHVURJKSA-N 1 3 335.455 2.970 20 0 EFADHO CN1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 ZINC001254512219 1315712227 /nfs/dbraw/zinc/71/22/27/1315712227.db2.gz KWTJDLKURMDJEN-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CN1CCC[C@@H]([NH2+]Cc2ccc(OCC3(C)COC3)c(F)c2)CC1 ZINC001254513562 1315713096 /nfs/dbraw/zinc/71/30/96/1315713096.db2.gz ZTSDWVUDVIEIBS-MRXNPFEDSA-N 1 3 336.451 2.815 20 0 EFADHO CN1CCC[C@H]([NH2+]Cc2ccc(OCC3(C)COC3)c(F)c2)CC1 ZINC001254513555 1315713330 /nfs/dbraw/zinc/71/33/30/1315713330.db2.gz ZTSDWVUDVIEIBS-INIZCTEOSA-N 1 3 336.451 2.815 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4CCCN(C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714820 /nfs/dbraw/zinc/71/48/20/1315714820.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 1 3 327.516 2.843 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4CCCN(C)CC4)C[C@@H]3C2)cc1 ZINC001254519298 1315714822 /nfs/dbraw/zinc/71/48/22/1315714822.db2.gz RYOABLUVSFKVJT-QHAWAJNXSA-N 1 3 327.516 2.843 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001254522173 1315716383 /nfs/dbraw/zinc/71/63/83/1315716383.db2.gz DHDCTPLUXBRAOC-MRXNPFEDSA-N 1 3 327.472 2.847 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001254522173 1315716387 /nfs/dbraw/zinc/71/63/87/1315716387.db2.gz DHDCTPLUXBRAOC-MRXNPFEDSA-N 1 3 327.472 2.847 20 0 EFADHO CN1CCC[C@@H]([NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)CC1 ZINC001254522441 1315716896 /nfs/dbraw/zinc/71/68/96/1315716896.db2.gz GEQZTPAPRABVSJ-GFCCVEGCSA-N 1 3 332.370 2.752 20 0 EFADHO COC(=O)c1ccc(OC2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254522942 1315716951 /nfs/dbraw/zinc/71/69/51/1315716951.db2.gz KWWAOLGNQXDGSM-QGZVFWFLSA-N 1 3 346.471 2.801 20 0 EFADHO COC(=O)c1ccc(OC2CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254522942 1315716955 /nfs/dbraw/zinc/71/69/55/1315716955.db2.gz KWWAOLGNQXDGSM-QGZVFWFLSA-N 1 3 346.471 2.801 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530820 1315719641 /nfs/dbraw/zinc/71/96/41/1315719641.db2.gz BUTWGSNCKGZINL-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530820 1315719643 /nfs/dbraw/zinc/71/96/43/1315719643.db2.gz BUTWGSNCKGZINL-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(N3Cc4ccccc4C3=O)CC2)CC1 ZINC001254532082 1315720780 /nfs/dbraw/zinc/72/07/80/1315720780.db2.gz OSWIIAZZQMCBNK-QGZVFWFLSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(N3Cc4ccccc4C3=O)CC2)CC1 ZINC001254532082 1315720784 /nfs/dbraw/zinc/72/07/84/1315720784.db2.gz OSWIIAZZQMCBNK-QGZVFWFLSA-N 1 3 327.472 2.591 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392465 1315759987 /nfs/dbraw/zinc/75/99/87/1315759987.db2.gz QYIZRVVXOOHTPL-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO O=C1C[C@H]2CC([NH2+]CC3CCN(Cc4ccncc4)CC3)C[C@@H]2C1 ZINC001254935232 1315760712 /nfs/dbraw/zinc/76/07/12/1315760712.db2.gz NMHLZINCDINVQT-QZTJIDSGSA-N 1 3 327.472 2.641 20 0 EFADHO O=C1C[C@H]2C[C@H]([NH2+]CC3CCN(Cc4ccncc4)CC3)C[C@H]2C1 ZINC001254935230 1315760735 /nfs/dbraw/zinc/76/07/35/1315760735.db2.gz NMHLZINCDINVQT-BWTSREIZSA-N 1 3 327.472 2.641 20 0 EFADHO COc1ccccc1CC1([NH3+])CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940361 1315761672 /nfs/dbraw/zinc/76/16/72/1315761672.db2.gz LZKPCWRACIJZBP-IRXDYDNUSA-N 1 3 342.483 2.789 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039411552 1315773936 /nfs/dbraw/zinc/77/39/36/1315773936.db2.gz YTJIQMSUVYPSEN-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039411552 1315773937 /nfs/dbraw/zinc/77/39/37/1315773937.db2.gz YTJIQMSUVYPSEN-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255125712 1315779199 /nfs/dbraw/zinc/77/91/99/1315779199.db2.gz DXXNKSSSDPAHLK-DQCOHUIHSA-N 1 3 328.456 2.723 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125712 1315779202 /nfs/dbraw/zinc/77/92/02/1315779202.db2.gz DXXNKSSSDPAHLK-DQCOHUIHSA-N 1 3 328.456 2.723 20 0 EFADHO CC(C)(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(N)=O ZINC001255129455 1315780166 /nfs/dbraw/zinc/78/01/66/1315780166.db2.gz YMIOBQGFTGHDFW-ZJPYXAASSA-N 1 3 329.488 2.672 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001050554926 1315780735 /nfs/dbraw/zinc/78/07/35/1315780735.db2.gz OQPUHEOGGFJTPQ-ABHNRTSZSA-N 1 3 335.536 2.543 20 0 EFADHO CCN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148986 1315782814 /nfs/dbraw/zinc/78/28/14/1315782814.db2.gz DSMPXZPHOQLUAT-ZPAWYTMASA-N 1 3 325.500 2.960 20 0 EFADHO CCN1C[C@@H]2C[C@H]1CN2[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148986 1315782818 /nfs/dbraw/zinc/78/28/18/1315782818.db2.gz DSMPXZPHOQLUAT-ZPAWYTMASA-N 1 3 325.500 2.960 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001050652040 1315789560 /nfs/dbraw/zinc/78/95/60/1315789560.db2.gz OQPUHEOGGFJTPQ-DAWZGUTISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039437679 1315791434 /nfs/dbraw/zinc/79/14/34/1315791434.db2.gz SXFVWEUTOYVBKH-JTDSTZFVSA-N 1 3 339.499 2.673 20 0 EFADHO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039437679 1315791438 /nfs/dbraw/zinc/79/14/38/1315791438.db2.gz SXFVWEUTOYVBKH-JTDSTZFVSA-N 1 3 339.499 2.673 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001050661682 1315791973 /nfs/dbraw/zinc/79/19/73/1315791973.db2.gz AONQDSHKBUJATC-GOSISDBHSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001255216916 1315793002 /nfs/dbraw/zinc/79/30/02/1315793002.db2.gz IDUJUSPYDGXACW-OSYLJGHBSA-N 1 3 337.508 2.992 20 0 EFADHO CCC[NH+]1CCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001050663001 1315793418 /nfs/dbraw/zinc/79/34/18/1315793418.db2.gz PGDLJBMFRNJEIJ-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001050663349 1315793636 /nfs/dbraw/zinc/79/36/36/1315793636.db2.gz RKVXZNMLYVOTSP-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+]([C@@H]4CCSC4)CC3)C2)ccn1 ZINC001255286811 1315801045 /nfs/dbraw/zinc/80/10/45/1315801045.db2.gz PQFXRBBSGMDTSA-GOSISDBHSA-N 1 3 347.528 2.502 20 0 EFADHO NC(=O)C1(N[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255382475 1315814276 /nfs/dbraw/zinc/81/42/76/1315814276.db2.gz CKEQLAWXTNZAQH-GOSISDBHSA-N 1 3 329.488 2.819 20 0 EFADHO NC(=O)C1(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255382475 1315814279 /nfs/dbraw/zinc/81/42/79/1315814279.db2.gz CKEQLAWXTNZAQH-GOSISDBHSA-N 1 3 329.488 2.819 20 0 EFADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)N1CCCCC1 ZINC001255384077 1315814415 /nfs/dbraw/zinc/81/44/15/1315814415.db2.gz SNDGAMMILYSZSY-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO CC(=O)NC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397039 1315816641 /nfs/dbraw/zinc/81/66/41/1315816641.db2.gz CZWYLBNIAGCFSJ-FQEVSTJZSA-N 1 3 329.488 2.642 20 0 EFADHO CC(=O)NC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397039 1315816642 /nfs/dbraw/zinc/81/66/42/1315816642.db2.gz CZWYLBNIAGCFSJ-FQEVSTJZSA-N 1 3 329.488 2.642 20 0 EFADHO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255395014 1315816813 /nfs/dbraw/zinc/81/68/13/1315816813.db2.gz XUTQZSLYNZXMHZ-HXUWFJFHSA-N 1 3 337.467 2.930 20 0 EFADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255408244 1315818516 /nfs/dbraw/zinc/81/85/16/1315818516.db2.gz IVALFHOBTRICGE-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255408244 1315818519 /nfs/dbraw/zinc/81/85/19/1315818519.db2.gz IVALFHOBTRICGE-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO O=C1NCC2(CCN([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)O1 ZINC001255409443 1315818599 /nfs/dbraw/zinc/81/85/99/1315818599.db2.gz YDUPUXSVKABDFI-SFHVURJKSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NCC2(CCN([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)O1 ZINC001255409443 1315818602 /nfs/dbraw/zinc/81/86/02/1315818602.db2.gz YDUPUXSVKABDFI-SFHVURJKSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC[C@]2(CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407819 1315818804 /nfs/dbraw/zinc/81/88/04/1315818804.db2.gz FIOBDLIOPHCRIU-ICSRJNTNSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC[C@]2(CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407819 1315818805 /nfs/dbraw/zinc/81/88/05/1315818805.db2.gz FIOBDLIOPHCRIU-ICSRJNTNSA-N 1 3 343.471 2.616 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407940 1315819308 /nfs/dbraw/zinc/81/93/08/1315819308.db2.gz GPRVJMKZLKNEJC-NRFANRHFSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255407940 1315819311 /nfs/dbraw/zinc/81/93/11/1315819311.db2.gz GPRVJMKZLKNEJC-NRFANRHFSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@@H]2CC[N@@H+](C)C2)CC3)cs1 ZINC001255430324 1315823549 /nfs/dbraw/zinc/82/35/49/1315823549.db2.gz GUEYRAXVFNEDKJ-QGZVFWFLSA-N 1 3 334.533 2.586 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@@H]2CC[N@H+](C)C2)CC3)cs1 ZINC001255430324 1315823551 /nfs/dbraw/zinc/82/35/51/1315823551.db2.gz GUEYRAXVFNEDKJ-QGZVFWFLSA-N 1 3 334.533 2.586 20 0 EFADHO CC1CC(C[N@H+](CC2CC2)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039484217 1315830187 /nfs/dbraw/zinc/83/01/87/1315830187.db2.gz UMBODIFLAITCOV-NLPFYKDJSA-N 1 3 347.547 2.830 20 0 EFADHO CC1CC(C[N@@H+](CC2CC2)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039484217 1315830191 /nfs/dbraw/zinc/83/01/91/1315830191.db2.gz UMBODIFLAITCOV-NLPFYKDJSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)N(C)C ZINC001039489485 1315838190 /nfs/dbraw/zinc/83/81/90/1315838190.db2.gz ZYLMSIWVTZYYTG-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)N(C)C ZINC001039489485 1315838194 /nfs/dbraw/zinc/83/81/94/1315838194.db2.gz ZYLMSIWVTZYYTG-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001255585346 1315843449 /nfs/dbraw/zinc/84/34/49/1315843449.db2.gz PSQWPFOAFFEOLM-INIZCTEOSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001255585346 1315843452 /nfs/dbraw/zinc/84/34/52/1315843452.db2.gz PSQWPFOAFFEOLM-INIZCTEOSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255585346 1315843454 /nfs/dbraw/zinc/84/34/54/1315843454.db2.gz PSQWPFOAFFEOLM-INIZCTEOSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593714 1315845033 /nfs/dbraw/zinc/84/50/33/1315845033.db2.gz NGPWVEPZBKQJJG-BZUAXINKSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593714 1315845035 /nfs/dbraw/zinc/84/50/35/1315845035.db2.gz NGPWVEPZBKQJJG-BZUAXINKSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)(C)C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255592947 1315845064 /nfs/dbraw/zinc/84/50/64/1315845064.db2.gz JOUWYKUIABRDOJ-LSDHHAIUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)(C)C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255592947 1315845067 /nfs/dbraw/zinc/84/50/67/1315845067.db2.gz JOUWYKUIABRDOJ-LSDHHAIUSA-N 1 3 325.497 2.706 20 0 EFADHO c1cncc(CN2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)c1 ZINC001255619910 1315848707 /nfs/dbraw/zinc/84/87/07/1315848707.db2.gz YUFRZNUHVQUKGU-UHFFFAOYSA-N 1 3 345.487 2.569 20 0 EFADHO COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC1COC1 ZINC001255667131 1315854881 /nfs/dbraw/zinc/85/48/81/1315854881.db2.gz BQSAGSZVOPCNDW-ALOPSCKCSA-N 1 3 346.471 2.578 20 0 EFADHO COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1OC ZINC001255672342 1315855830 /nfs/dbraw/zinc/85/58/30/1315855830.db2.gz BKHOMKLSSUPJRQ-AYHJJNSGSA-N 1 3 348.487 2.825 20 0 EFADHO C[NH+]1CCC2(CC1)CN(Cc1c[nH]c3ncncc13)Cc1ccccc12 ZINC001278886444 1315866282 /nfs/dbraw/zinc/86/62/82/1315866282.db2.gz PVDJPNYEKWZMCV-UHFFFAOYSA-N 1 3 347.466 2.889 20 0 EFADHO CC(C)N([C@H](C)CS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808169 1315868959 /nfs/dbraw/zinc/86/89/59/1315868959.db2.gz NBWWAOQVGPOXEV-BRWVUGGUSA-N 1 3 338.517 2.829 20 0 EFADHO C[C@@H](Cc1ccccc1F)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255834308 1315871822 /nfs/dbraw/zinc/87/18/22/1315871822.db2.gz HZVIMSZQQULJKC-XJKSGUPXSA-N 1 3 339.455 2.936 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255903921 1315879183 /nfs/dbraw/zinc/87/91/83/1315879183.db2.gz WGDBSTDMPJUAQQ-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255903921 1315879186 /nfs/dbraw/zinc/87/91/86/1315879186.db2.gz WGDBSTDMPJUAQQ-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)CC[N@@H+]1C ZINC001039594676 1315882131 /nfs/dbraw/zinc/88/21/31/1315882131.db2.gz AUKSYDDVRWTWHH-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)CC[N@H+]1C ZINC001039594676 1315882133 /nfs/dbraw/zinc/88/21/33/1315882133.db2.gz AUKSYDDVRWTWHH-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255945370 1315883081 /nfs/dbraw/zinc/88/30/81/1315883081.db2.gz DMVQXWMKDQDMAZ-YVSFHVDLSA-N 1 3 339.524 2.952 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255946243 1315883160 /nfs/dbraw/zinc/88/31/60/1315883160.db2.gz SERCZTVQEIJCKT-OAGGEKHMSA-N 1 3 327.513 3.000 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2ccccc2OC)C1 ZINC001255952571 1315883800 /nfs/dbraw/zinc/88/38/00/1315883800.db2.gz FJTWDKKJBHTWSK-HKUYNNGSSA-N 1 3 333.520 2.980 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2cccnc2)CC1 ZINC001255953761 1315884635 /nfs/dbraw/zinc/88/46/35/1315884635.db2.gz ODGMZTFLMIAZPX-WDSOQIARSA-N 1 3 346.519 2.833 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccccn2)CC1 ZINC001255953759 1315884734 /nfs/dbraw/zinc/88/47/34/1315884734.db2.gz OCLFBHPXADDUMD-QGZVFWFLSA-N 1 3 346.519 2.644 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001255961425 1315885970 /nfs/dbraw/zinc/88/59/70/1315885970.db2.gz MFYXAPVNKOKKAW-OXQOHEQNSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001255961425 1315885973 /nfs/dbraw/zinc/88/59/73/1315885973.db2.gz MFYXAPVNKOKKAW-OXQOHEQNSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001255962926 1315886619 /nfs/dbraw/zinc/88/66/19/1315886619.db2.gz LQVHVQYJXQJOCF-HFSMHLIXSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001255962926 1315886621 /nfs/dbraw/zinc/88/66/21/1315886621.db2.gz LQVHVQYJXQJOCF-HFSMHLIXSA-N 1 3 343.515 2.713 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039621509 1315887454 /nfs/dbraw/zinc/88/74/54/1315887454.db2.gz XKQWOJVYVJBFMS-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039621509 1315887456 /nfs/dbraw/zinc/88/74/56/1315887456.db2.gz XKQWOJVYVJBFMS-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001039644361 1315888894 /nfs/dbraw/zinc/88/88/94/1315888894.db2.gz YJUCLWCHXQEKQF-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001039644361 1315888895 /nfs/dbraw/zinc/88/88/95/1315888895.db2.gz YJUCLWCHXQEKQF-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001039658709 1315890824 /nfs/dbraw/zinc/89/08/24/1315890824.db2.gz XOAPIZWIWYHCBA-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001039658709 1315890828 /nfs/dbraw/zinc/89/08/28/1315890828.db2.gz XOAPIZWIWYHCBA-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO c1cnc(N2CCC([N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)nc1 ZINC001256060133 1315897826 /nfs/dbraw/zinc/89/78/26/1315897826.db2.gz CNXJCCWYDNWEHZ-GOSISDBHSA-N 1 3 343.519 2.786 20 0 EFADHO c1cnc(N2CCC([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)nc1 ZINC001256060133 1315897828 /nfs/dbraw/zinc/89/78/28/1315897828.db2.gz CNXJCCWYDNWEHZ-GOSISDBHSA-N 1 3 343.519 2.786 20 0 EFADHO c1cnc(N2CCC(N3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)nc1 ZINC001256060133 1315897831 /nfs/dbraw/zinc/89/78/31/1315897831.db2.gz CNXJCCWYDNWEHZ-GOSISDBHSA-N 1 3 343.519 2.786 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078187 1315900750 /nfs/dbraw/zinc/90/07/50/1315900750.db2.gz XERSFXSDLZDTBM-BGYRXZFFSA-N 1 3 339.527 2.985 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078187 1315900753 /nfs/dbraw/zinc/90/07/53/1315900753.db2.gz XERSFXSDLZDTBM-BGYRXZFFSA-N 1 3 339.527 2.985 20 0 EFADHO CN1CCC([NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001256202594 1315916443 /nfs/dbraw/zinc/91/64/43/1315916443.db2.gz IKEPBBJWVILIEQ-UHFFFAOYSA-N 1 3 341.421 2.917 20 0 EFADHO C[NH+]1CCC(N2CCc3ncnc(-c4ccsc4)c3CC2)CC1 ZINC001256203115 1315917160 /nfs/dbraw/zinc/91/71/60/1315917160.db2.gz CZYDCJQNELYQQX-UHFFFAOYSA-N 1 3 328.485 2.700 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCN2C)CCN1C(=O)OC(C)(C)C ZINC001256464575 1315943997 /nfs/dbraw/zinc/94/39/97/1315943997.db2.gz ZHWJAVABJCFMBK-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001052443896 1315947797 /nfs/dbraw/zinc/94/77/97/1315947797.db2.gz BEIFCDSHDVOVIG-APDXYKNESA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001052443896 1315947800 /nfs/dbraw/zinc/94/78/00/1315947800.db2.gz BEIFCDSHDVOVIG-APDXYKNESA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CNC(=O)O3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256555382 1315957693 /nfs/dbraw/zinc/95/76/93/1315957693.db2.gz UNIUHPDCXAUEFA-AEFFLSMTSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CNC(=O)O3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256555382 1315957698 /nfs/dbraw/zinc/95/76/98/1315957698.db2.gz UNIUHPDCXAUEFA-AEFFLSMTSA-N 1 3 343.471 2.614 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256559933 1315958857 /nfs/dbraw/zinc/95/88/57/1315958857.db2.gz OUBJWIRECIGXJC-UWJYYQICSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256559933 1315958858 /nfs/dbraw/zinc/95/88/58/1315958858.db2.gz OUBJWIRECIGXJC-UWJYYQICSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001256565581 1315959595 /nfs/dbraw/zinc/95/95/95/1315959595.db2.gz JWPSPVYEIWMMGF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H]1[NH2+]CCc2ncn(C3CCN(Cc4ccncc4)CC3)c21 ZINC001256594045 1315966125 /nfs/dbraw/zinc/96/61/25/1315966125.db2.gz MHGNVBKIOQKMHO-LJQANCHMSA-N 1 3 339.487 2.958 20 0 EFADHO c1cc(CN2CCC(N3CC[C@H]([NH+]4CCCCC4)C3)CC2)ccn1 ZINC001256591325 1315966192 /nfs/dbraw/zinc/96/61/92/1315966192.db2.gz SXMPKZXOQCLYEX-FQEVSTJZSA-N 1 3 328.504 2.606 20 0 EFADHO COCCCCN1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612956 1315969343 /nfs/dbraw/zinc/96/93/43/1315969343.db2.gz SWDBEGFXXHJITJ-UHFFFAOYSA-N 1 3 345.531 2.695 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5C)C[C@H]3C2)cc1 ZINC001256622525 1315970152 /nfs/dbraw/zinc/97/01/52/1315970152.db2.gz BLFMKIZNQQNTCQ-WMDDLZNTSA-N 1 3 339.527 2.984 20 0 EFADHO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001256623764 1315971060 /nfs/dbraw/zinc/97/10/60/1315971060.db2.gz RHCMAWZFCMGFSL-VPSFDDGASA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001256623764 1315971064 /nfs/dbraw/zinc/97/10/64/1315971064.db2.gz RHCMAWZFCMGFSL-VPSFDDGASA-N 1 3 337.508 2.943 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628800 1315972847 /nfs/dbraw/zinc/97/28/47/1315972847.db2.gz PFZHMLJKHGMYFX-XYPWUTKMSA-N 1 3 325.497 2.847 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628800 1315972850 /nfs/dbraw/zinc/97/28/50/1315972850.db2.gz PFZHMLJKHGMYFX-XYPWUTKMSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256630851 1315973205 /nfs/dbraw/zinc/97/32/05/1315973205.db2.gz LLQDXXDLHJZWCM-BJCAYOAGSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001256630851 1315973208 /nfs/dbraw/zinc/97/32/08/1315973208.db2.gz LLQDXXDLHJZWCM-BJCAYOAGSA-N 1 3 337.508 2.847 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256630856 1315973553 /nfs/dbraw/zinc/97/35/53/1315973553.db2.gz LUKWTFHYMZTKGU-YOFSQIOKSA-N 1 3 341.499 2.848 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256630856 1315973556 /nfs/dbraw/zinc/97/35/56/1315973556.db2.gz LUKWTFHYMZTKGU-YOFSQIOKSA-N 1 3 341.499 2.848 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256642673 1315974349 /nfs/dbraw/zinc/97/43/49/1315974349.db2.gz LWQMDOGZJMBJLS-IBGZPJMESA-N 1 3 345.531 2.512 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256677589 1315980163 /nfs/dbraw/zinc/98/01/63/1315980163.db2.gz FYXZIBBXCZJROV-ZLPCBKJTSA-N 1 3 348.487 2.998 20 0 EFADHO COc1cc(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c(F)c1 ZINC001256679429 1315980360 /nfs/dbraw/zinc/98/03/60/1315980360.db2.gz KNXAOGMESZFLEO-UHFFFAOYSA-N 1 3 340.414 2.706 20 0 EFADHO c1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)nc(OC2CCC2)c1 ZINC001256681145 1315980730 /nfs/dbraw/zinc/98/07/30/1315980730.db2.gz LUOYSJUUHOBPDM-UHFFFAOYSA-N 1 3 345.487 2.746 20 0 EFADHO c1ccc2c(c1)CCCN2CC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681766 1315980965 /nfs/dbraw/zinc/98/09/65/1315980965.db2.gz BTIONFZHVBPOMP-UHFFFAOYSA-N 1 3 343.515 2.672 20 0 EFADHO Fc1cccc(OCCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683441 1315981278 /nfs/dbraw/zinc/98/12/78/1315981278.db2.gz CBAUZXUKFOTVPS-UHFFFAOYSA-N 1 3 336.451 2.828 20 0 EFADHO COc1cc(OC)cc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256686905 1315981370 /nfs/dbraw/zinc/98/13/70/1315981370.db2.gz VTPOLXOVAPHIEB-ZLPCBKJTSA-N 1 3 348.487 2.998 20 0 EFADHO c1cc2cnccc2c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683559 1315981658 /nfs/dbraw/zinc/98/16/58/1315981658.db2.gz BDUAXMJKLDCYJM-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO CCCCCCN1CC[NH+](C2CCC(N3CCOCC3)CC2)CC1 ZINC001256695133 1315982790 /nfs/dbraw/zinc/98/27/90/1315982790.db2.gz OELPAPRGCKPTOK-UHFFFAOYSA-N 1 3 337.552 2.828 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815431 1315993358 /nfs/dbraw/zinc/99/33/58/1315993358.db2.gz AAVLGQNZTAGTMA-OALUTQOASA-N 1 3 348.487 2.724 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815430 1315993414 /nfs/dbraw/zinc/99/34/14/1315993414.db2.gz AAVLGQNZTAGTMA-MOPGFXCFSA-N 1 3 348.487 2.724 20 0 EFADHO CN(C1CN(C(=O)OC(C)(C)C)C1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860701 1316000897 /nfs/dbraw/zinc/00/08/97/1316000897.db2.gz CPVROIDWNRBKTP-UHFFFAOYSA-N 1 3 346.475 2.602 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)CC1 ZINC001039891964 1316004940 /nfs/dbraw/zinc/00/49/40/1316004940.db2.gz QOEGLNMPXZPJJT-BGYRXZFFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914008 1316016168 /nfs/dbraw/zinc/01/61/68/1316016168.db2.gz HLJMXKIKMBCBJR-KANFNMMFSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914008 1316016172 /nfs/dbraw/zinc/01/61/72/1316016172.db2.gz HLJMXKIKMBCBJR-KANFNMMFSA-N 1 3 347.547 2.686 20 0 EFADHO O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943137 1316026301 /nfs/dbraw/zinc/02/63/01/1316026301.db2.gz LZBMBSSLLPBJBB-VNTMZGSJSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943137 1316026302 /nfs/dbraw/zinc/02/63/02/1316026302.db2.gz LZBMBSSLLPBJBB-VNTMZGSJSA-N 1 3 345.531 2.869 20 0 EFADHO CC(C)[NH+]1CCC(NCCC(=O)N2CCCc3ccccc32)CC1 ZINC001257209112 1316046635 /nfs/dbraw/zinc/04/66/35/1316046635.db2.gz ZMQODOUEYWRGLK-UHFFFAOYSA-N 1 3 329.488 2.818 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)c3ccccc3F)C2)CC1 ZINC001257211871 1316046865 /nfs/dbraw/zinc/04/68/65/1316046865.db2.gz PFPRLDVFYWVCGA-INIZCTEOSA-N 1 3 333.451 2.503 20 0 EFADHO CC(C)[NH+]1CCC(NCCc2ncccc2Br)CC1 ZINC001257214163 1316047663 /nfs/dbraw/zinc/04/76/63/1316047663.db2.gz ZFHGZLHUHAQZES-UHFFFAOYSA-N 1 3 326.282 2.849 20 0 EFADHO CC(C)N1CCC([NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001257219021 1316049173 /nfs/dbraw/zinc/04/91/73/1316049173.db2.gz XASBVPRYOIUGLR-IRXDYDNUSA-N 1 3 333.545 2.985 20 0 EFADHO CC(C)N1CCC([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001257219014 1316049330 /nfs/dbraw/zinc/04/93/30/1316049330.db2.gz XASBVPRYOIUGLR-CALCHBBNSA-N 1 3 333.545 2.985 20 0 EFADHO CC(C)N1CCC([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001257219014 1316049333 /nfs/dbraw/zinc/04/93/33/1316049333.db2.gz XASBVPRYOIUGLR-CALCHBBNSA-N 1 3 333.545 2.985 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001257224349 1316049952 /nfs/dbraw/zinc/04/99/52/1316049952.db2.gz YLWQWSYFGWSADM-NRFANRHFSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001257224349 1316049954 /nfs/dbraw/zinc/04/99/54/1316049954.db2.gz YLWQWSYFGWSADM-NRFANRHFSA-N 1 3 345.531 2.692 20 0 EFADHO CCC(CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257286837 1316053529 /nfs/dbraw/zinc/05/35/29/1316053529.db2.gz LVQCIMXKCIVLRI-GOSISDBHSA-N 1 3 331.504 2.580 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001040014029 1316055180 /nfs/dbraw/zinc/05/51/80/1316055180.db2.gz CRYDFFBRNIBFQT-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001040014029 1316055183 /nfs/dbraw/zinc/05/51/83/1316055183.db2.gz CRYDFFBRNIBFQT-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1)[NH+]1CCCC1 ZINC001040017564 1316056277 /nfs/dbraw/zinc/05/62/77/1316056277.db2.gz VCCOYRNTHAMSNA-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CCCC(CCC)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257336909 1316056962 /nfs/dbraw/zinc/05/69/62/1316056962.db2.gz IQVUBZFRAVTHPF-UHFFFAOYSA-N 1 3 333.520 2.779 20 0 EFADHO CCCC(CCC)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257336909 1316056964 /nfs/dbraw/zinc/05/69/64/1316056964.db2.gz IQVUBZFRAVTHPF-UHFFFAOYSA-N 1 3 333.520 2.779 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H]3CCCSC3)CC2)C1 ZINC001257671169 1316083789 /nfs/dbraw/zinc/08/37/89/1316083789.db2.gz MDNNZBWIWKNJPV-NVXWUHKLSA-N 1 3 340.533 2.622 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H]3CCCSC3)CC2)C1 ZINC001257671169 1316083791 /nfs/dbraw/zinc/08/37/91/1316083791.db2.gz MDNNZBWIWKNJPV-NVXWUHKLSA-N 1 3 340.533 2.622 20 0 EFADHO C[C@H](CN)C[N@H+](C)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753662 1316090313 /nfs/dbraw/zinc/09/03/13/1316090313.db2.gz CTAJMAWGSLESKO-CQSZACIVSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@H](CN)C[N@@H+](C)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753662 1316090314 /nfs/dbraw/zinc/09/03/14/1316090314.db2.gz CTAJMAWGSLESKO-CQSZACIVSA-N 1 3 325.497 2.693 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2CC(N3CCC(C)([NH3+])CC3)C[C@H](C2)C1 ZINC001257843107 1316096489 /nfs/dbraw/zinc/09/64/89/1316096489.db2.gz MPUSELAKRALSSU-XYPWUTKMSA-N 1 3 337.508 2.835 20 0 EFADHO CC(C)C[NH+]1CCC(NC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001258003368 1316108687 /nfs/dbraw/zinc/10/86/87/1316108687.db2.gz HSBLZYAOGZVSDS-UHFFFAOYSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001258007533 1316109762 /nfs/dbraw/zinc/10/97/62/1316109762.db2.gz ZAJTUFIVBKCAPV-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001258013972 1316109923 /nfs/dbraw/zinc/10/99/23/1316109923.db2.gz AMXSJNNHPKNDAZ-WOJBJXKFSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001258013972 1316109925 /nfs/dbraw/zinc/10/99/25/1316109925.db2.gz AMXSJNNHPKNDAZ-WOJBJXKFSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001258013969 1316110234 /nfs/dbraw/zinc/11/02/34/1316110234.db2.gz AMXSJNNHPKNDAZ-PMACEKPBSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001258013969 1316110236 /nfs/dbraw/zinc/11/02/36/1316110236.db2.gz AMXSJNNHPKNDAZ-PMACEKPBSA-N 1 3 336.520 2.767 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CCCC(C)(C)C1)CC2 ZINC001258286116 1316137011 /nfs/dbraw/zinc/13/70/11/1316137011.db2.gz GKZHFZAAIHALHV-GOSISDBHSA-N 1 3 345.531 2.779 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCCC(C)(C)C1)CC2 ZINC001258286116 1316137013 /nfs/dbraw/zinc/13/70/13/1316137013.db2.gz GKZHFZAAIHALHV-GOSISDBHSA-N 1 3 345.531 2.779 20 0 EFADHO COC(=O)CC[C@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001258359656 1316143167 /nfs/dbraw/zinc/14/31/67/1316143167.db2.gz VWCRQCYSVNUFHG-HNNXBMFYSA-N 1 3 336.451 2.969 20 0 EFADHO COC(=O)CC[C@@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001258369065 1316144662 /nfs/dbraw/zinc/14/46/62/1316144662.db2.gz CWAYDLBDKMIAHN-QGZVFWFLSA-N 1 3 345.487 2.711 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040235865 1316158358 /nfs/dbraw/zinc/15/83/58/1316158358.db2.gz HPTPIEKHAPOBTA-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040235865 1316158360 /nfs/dbraw/zinc/15/83/60/1316158360.db2.gz HPTPIEKHAPOBTA-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240760 1316159786 /nfs/dbraw/zinc/15/97/86/1316159786.db2.gz JBAMVSGAWDSDHZ-QUCCMNQESA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240760 1316159789 /nfs/dbraw/zinc/15/97/89/1316159789.db2.gz JBAMVSGAWDSDHZ-QUCCMNQESA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241889 1316161822 /nfs/dbraw/zinc/16/18/22/1316161822.db2.gz VGJQMXDZLVELIZ-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241889 1316161826 /nfs/dbraw/zinc/16/18/26/1316161826.db2.gz VGJQMXDZLVELIZ-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[NH+]1CCC(NCC2(c3ncccc3F)CCOCC2)CC1 ZINC001258770700 1316175795 /nfs/dbraw/zinc/17/57/95/1316175795.db2.gz PMRLCKVUVNFFMR-UHFFFAOYSA-N 1 3 335.467 2.733 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001258774909 1316177428 /nfs/dbraw/zinc/17/74/28/1316177428.db2.gz STGDMRJZDVHZAH-GOSISDBHSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC([N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)CC1 ZINC001258773782 1316177507 /nfs/dbraw/zinc/17/75/07/1316177507.db2.gz BWBYXNFIFQRUHO-AEFFLSMTSA-N 1 3 345.487 2.690 20 0 EFADHO CCCN1CCC([N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)CC1 ZINC001258773782 1316177509 /nfs/dbraw/zinc/17/75/09/1316177509.db2.gz BWBYXNFIFQRUHO-AEFFLSMTSA-N 1 3 345.487 2.690 20 0 EFADHO CCN(CC)CCC[NH2+][C@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258853572 1316184898 /nfs/dbraw/zinc/18/48/98/1316184898.db2.gz SMUHJSFEWQFZPK-OAHLLOKOSA-N 1 3 338.492 2.965 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C1 ZINC001258875554 1316186890 /nfs/dbraw/zinc/18/68/90/1316186890.db2.gz DZXZRIVOTHNPBF-OIISXLGYSA-N 1 3 348.487 2.527 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C1 ZINC001258875554 1316186893 /nfs/dbraw/zinc/18/68/93/1316186893.db2.gz DZXZRIVOTHNPBF-OIISXLGYSA-N 1 3 348.487 2.527 20 0 EFADHO COc1cc(C[C@H](C)N2CC3(C2)CC[NH+](C)CC3)cc(OC)c1OC ZINC001258878240 1316187965 /nfs/dbraw/zinc/18/79/65/1316187965.db2.gz NPYHRZUDCHVTHQ-HNNXBMFYSA-N 1 3 348.487 2.671 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040380110 1316231008 /nfs/dbraw/zinc/23/10/08/1316231008.db2.gz NLEAOONHYHKGKL-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040380110 1316231010 /nfs/dbraw/zinc/23/10/10/1316231010.db2.gz NLEAOONHYHKGKL-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040397074 1316242566 /nfs/dbraw/zinc/24/25/66/1316242566.db2.gz XVUAGCULXBXVEM-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040397074 1316242568 /nfs/dbraw/zinc/24/25/68/1316242568.db2.gz XVUAGCULXBXVEM-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040430837 1316260826 /nfs/dbraw/zinc/26/08/26/1316260826.db2.gz CYMBAFQBZCAZRY-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040430837 1316260828 /nfs/dbraw/zinc/26/08/28/1316260828.db2.gz CYMBAFQBZCAZRY-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CC2)C3)CC1 ZINC001040464122 1316280685 /nfs/dbraw/zinc/28/06/85/1316280685.db2.gz KUWIRQPOYSIZCA-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CC2)C3)CC1 ZINC001040464122 1316280687 /nfs/dbraw/zinc/28/06/87/1316280687.db2.gz KUWIRQPOYSIZCA-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040543116 1316315579 /nfs/dbraw/zinc/31/55/79/1316315579.db2.gz HIAYQPABXWVEHY-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040543116 1316315582 /nfs/dbraw/zinc/31/55/82/1316315582.db2.gz HIAYQPABXWVEHY-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2)N1CCCCC1 ZINC001040704488 1316355517 /nfs/dbraw/zinc/35/55/17/1316355517.db2.gz XSSVQPHOIVANMO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)C1CC1 ZINC001040725570 1316360829 /nfs/dbraw/zinc/36/08/29/1316360829.db2.gz BYYCWUSAPRIGCS-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729314 1316361185 /nfs/dbraw/zinc/36/11/85/1316361185.db2.gz FTGVZLMNFOXFAP-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040727145 1316361604 /nfs/dbraw/zinc/36/16/04/1316361604.db2.gz PEUYECCZLYIDPY-SFHVURJKSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001040745067 1316365131 /nfs/dbraw/zinc/36/51/31/1316365131.db2.gz HNXYKPRURLOJPB-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040835465 1316385148 /nfs/dbraw/zinc/38/51/48/1316385148.db2.gz KBZVGNNHJCTYRP-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CCC2)CC3)C1 ZINC001040847735 1316388055 /nfs/dbraw/zinc/38/80/55/1316388055.db2.gz XKHYHYVANPOMTE-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847130 1316388400 /nfs/dbraw/zinc/38/84/00/1316388400.db2.gz HYXLPNHOYBPFLV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040850073 1316388987 /nfs/dbraw/zinc/38/89/87/1316388987.db2.gz WUCXDPYYICCWRR-HQOGMNCSSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040850073 1316388990 /nfs/dbraw/zinc/38/89/90/1316388990.db2.gz WUCXDPYYICCWRR-HQOGMNCSSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040874417 1316394582 /nfs/dbraw/zinc/39/45/82/1316394582.db2.gz GFEAYMHBMURYEJ-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948748 1316409320 /nfs/dbraw/zinc/40/93/20/1316409320.db2.gz YUHLKPHQEFGCMZ-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040950963 1316409913 /nfs/dbraw/zinc/40/99/13/1316409913.db2.gz CDQFBMLKBJNUIP-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO [NH2+]=C(NCCC1CCOCC1)NC1CCN(Cc2ccccc2)CC1 ZINC001261566786 1316418858 /nfs/dbraw/zinc/41/88/58/1316418858.db2.gz BJVHNMHLHHOQHB-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2)N(C)C ZINC001072955493 1316424940 /nfs/dbraw/zinc/42/49/40/1316424940.db2.gz NGNQDGHRENAEGQ-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2)N(C)C ZINC001072955493 1316424943 /nfs/dbraw/zinc/42/49/43/1316424943.db2.gz NGNQDGHRENAEGQ-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC001072955275 1316425384 /nfs/dbraw/zinc/42/53/84/1316425384.db2.gz BUPHUSGUNZZPFV-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC001072955275 1316425387 /nfs/dbraw/zinc/42/53/87/1316425387.db2.gz BUPHUSGUNZZPFV-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1c(C)cccc1C)C2)N(C)C ZINC001072990986 1316427498 /nfs/dbraw/zinc/42/74/98/1316427498.db2.gz LNINOOZBWRIJNY-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1c(C)cccc1C)C2)N(C)C ZINC001072990986 1316427501 /nfs/dbraw/zinc/42/75/01/1316427501.db2.gz LNINOOZBWRIJNY-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCc3ccccc31)C2)N(C)C ZINC001072990953 1316427599 /nfs/dbraw/zinc/42/75/99/1316427599.db2.gz JHQOYLFACUAAMX-RBUKOAKNSA-N 1 3 341.499 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCc3ccccc31)C2)N(C)C ZINC001072990953 1316427601 /nfs/dbraw/zinc/42/76/01/1316427601.db2.gz JHQOYLFACUAAMX-RBUKOAKNSA-N 1 3 341.499 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)cc1C)C2)N(C)C ZINC001072991109 1316427684 /nfs/dbraw/zinc/42/76/84/1316427684.db2.gz MQIUUPVCEJIONC-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)cc1C)C2)N(C)C ZINC001072991109 1316427686 /nfs/dbraw/zinc/42/76/86/1316427686.db2.gz MQIUUPVCEJIONC-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC001041141955 1316457463 /nfs/dbraw/zinc/45/74/63/1316457463.db2.gz SGSMDLSXRBNCHW-HKUYNNGSSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC001041141955 1316457466 /nfs/dbraw/zinc/45/74/66/1316457466.db2.gz SGSMDLSXRBNCHW-HKUYNNGSSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC001041141956 1316457549 /nfs/dbraw/zinc/45/75/49/1316457549.db2.gz SGSMDLSXRBNCHW-IEBWSBKVSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC001041141956 1316457552 /nfs/dbraw/zinc/45/75/52/1316457552.db2.gz SGSMDLSXRBNCHW-IEBWSBKVSA-N 1 3 347.528 2.575 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356489 1316525099 /nfs/dbraw/zinc/52/50/99/1316525099.db2.gz YGIJISWCRYAFJA-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356489 1316525103 /nfs/dbraw/zinc/52/51/03/1316525103.db2.gz YGIJISWCRYAFJA-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)c(Cl)c1 ZINC001074565100 1316525253 /nfs/dbraw/zinc/52/52/53/1316525253.db2.gz SWMSMHZFTCTHDO-JCGIZDLHSA-N 1 3 349.906 2.822 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)c(Cl)c1 ZINC001074565101 1316525452 /nfs/dbraw/zinc/52/54/52/1316525452.db2.gz SWMSMHZFTCTHDO-WBAXXEDZSA-N 1 3 349.906 2.822 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356719 1316525841 /nfs/dbraw/zinc/52/58/41/1316525841.db2.gz BJUZYNALXXARHC-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356719 1316525844 /nfs/dbraw/zinc/52/58/44/1316525844.db2.gz BJUZYNALXXARHC-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357113 1316525855 /nfs/dbraw/zinc/52/58/55/1316525855.db2.gz DNOUUYAYUAPDSN-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357113 1316525858 /nfs/dbraw/zinc/52/58/58/1316525858.db2.gz DNOUUYAYUAPDSN-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357115 1316526258 /nfs/dbraw/zinc/52/62/58/1316526258.db2.gz DNOUUYAYUAPDSN-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357115 1316526259 /nfs/dbraw/zinc/52/62/59/1316526259.db2.gz DNOUUYAYUAPDSN-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358381 1316526593 /nfs/dbraw/zinc/52/65/93/1316526593.db2.gz NMAJQPGNRJVTKC-GHTZIAJQSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358381 1316526595 /nfs/dbraw/zinc/52/65/95/1316526595.db2.gz NMAJQPGNRJVTKC-GHTZIAJQSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CCC1 ZINC001041357989 1316526668 /nfs/dbraw/zinc/52/66/68/1316526668.db2.gz KAOUZECTCLDZQC-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CCC1 ZINC001041357989 1316526673 /nfs/dbraw/zinc/52/66/73/1316526673.db2.gz KAOUZECTCLDZQC-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357697 1316527444 /nfs/dbraw/zinc/52/74/44/1316527444.db2.gz IIWIMZMLLAXTMM-MJGOQNOKSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357697 1316527446 /nfs/dbraw/zinc/52/74/46/1316527446.db2.gz IIWIMZMLLAXTMM-MJGOQNOKSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccc(F)cc1 ZINC001074686987 1316529627 /nfs/dbraw/zinc/52/96/27/1316529627.db2.gz CLLPQYIZXBJBNN-DOXZYTNZSA-N 1 3 347.478 2.950 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)[C@@H]2C)C1 ZINC001074878338 1316539068 /nfs/dbraw/zinc/53/90/68/1316539068.db2.gz ODIDASNKEMDRDB-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)[C@@H]2C)C1 ZINC001074878413 1316539188 /nfs/dbraw/zinc/53/91/88/1316539188.db2.gz SRNRFMXUNNGBKS-MPGHIAIKSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)c1 ZINC001074877890 1316539274 /nfs/dbraw/zinc/53/92/74/1316539274.db2.gz RBFNZBSECRCHQR-QSFXBCCZSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074877873 1316539646 /nfs/dbraw/zinc/53/96/46/1316539646.db2.gz QGWTWQJQAZFXLE-AOIWGVFYSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041402057 1316540915 /nfs/dbraw/zinc/54/09/15/1316540915.db2.gz FSOVJWNBOKVOIH-QUCCMNQESA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041402057 1316540916 /nfs/dbraw/zinc/54/09/16/1316540916.db2.gz FSOVJWNBOKVOIH-QUCCMNQESA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041405102 1316542177 /nfs/dbraw/zinc/54/21/77/1316542177.db2.gz ZXNYCOUHWXCQNR-SJLPKXTDSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041405102 1316542180 /nfs/dbraw/zinc/54/21/80/1316542180.db2.gz ZXNYCOUHWXCQNR-SJLPKXTDSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041404502 1316542436 /nfs/dbraw/zinc/54/24/36/1316542436.db2.gz UNNOEKNYPKKUHC-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041404502 1316542438 /nfs/dbraw/zinc/54/24/38/1316542438.db2.gz UNNOEKNYPKKUHC-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO Nc1ncc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000382026133 1316565959 /nfs/dbraw/zinc/56/59/59/1316565959.db2.gz ZWQDKQBLNKLYPA-JKSUJKDBSA-N 1 3 328.485 2.510 20 0 EFADHO Nc1ncc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000382026133 1316565963 /nfs/dbraw/zinc/56/59/63/1316565963.db2.gz ZWQDKQBLNKLYPA-JKSUJKDBSA-N 1 3 328.485 2.510 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672301 1316643553 /nfs/dbraw/zinc/64/35/53/1316643553.db2.gz PUPXBKNPMWPDDP-HXUWFJFHSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672301 1316643555 /nfs/dbraw/zinc/64/35/55/1316643555.db2.gz PUPXBKNPMWPDDP-HXUWFJFHSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041674390 1316644326 /nfs/dbraw/zinc/64/43/26/1316644326.db2.gz JJIPHTJORQLVQJ-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041674390 1316644327 /nfs/dbraw/zinc/64/43/27/1316644327.db2.gz JJIPHTJORQLVQJ-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001041676801 1316645334 /nfs/dbraw/zinc/64/53/34/1316645334.db2.gz ZSBGNTWWJQDHSI-RXVVDRJESA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001041676801 1316645337 /nfs/dbraw/zinc/64/53/37/1316645337.db2.gz ZSBGNTWWJQDHSI-RXVVDRJESA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678150 1316646050 /nfs/dbraw/zinc/64/60/50/1316646050.db2.gz GRPAUYIBIWKSGH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678150 1316646051 /nfs/dbraw/zinc/64/60/51/1316646051.db2.gz GRPAUYIBIWKSGH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679547 1316646144 /nfs/dbraw/zinc/64/61/44/1316646144.db2.gz NUOWWDXLPFCTAU-WIYYLYMNSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679547 1316646147 /nfs/dbraw/zinc/64/61/47/1316646147.db2.gz NUOWWDXLPFCTAU-WIYYLYMNSA-N 1 3 345.531 2.753 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041681035 1316647096 /nfs/dbraw/zinc/64/70/96/1316647096.db2.gz WUTVYEMIENNXGP-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041681035 1316647098 /nfs/dbraw/zinc/64/70/98/1316647098.db2.gz WUTVYEMIENNXGP-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041687868 1316648372 /nfs/dbraw/zinc/64/83/72/1316648372.db2.gz SKXNEDNLHRHVMN-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041687868 1316648374 /nfs/dbraw/zinc/64/83/74/1316648374.db2.gz SKXNEDNLHRHVMN-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041688859 1316648638 /nfs/dbraw/zinc/64/86/38/1316648638.db2.gz XTEUNLWYBQPQGQ-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041688859 1316648641 /nfs/dbraw/zinc/64/86/41/1316648641.db2.gz XTEUNLWYBQPQGQ-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041694155 1316650185 /nfs/dbraw/zinc/65/01/85/1316650185.db2.gz VKQUNRTZAZBXTN-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041694155 1316650187 /nfs/dbraw/zinc/65/01/87/1316650187.db2.gz VKQUNRTZAZBXTN-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712289 1316658124 /nfs/dbraw/zinc/65/81/24/1316658124.db2.gz MQBJVTUOXUNLGF-UZLBHIALSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712289 1316658126 /nfs/dbraw/zinc/65/81/26/1316658126.db2.gz MQBJVTUOXUNLGF-UZLBHIALSA-N 1 3 338.455 2.638 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041723217 1316665760 /nfs/dbraw/zinc/66/57/60/1316665760.db2.gz FLDIWXRPOHPIIH-QUCCMNQESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041723217 1316665764 /nfs/dbraw/zinc/66/57/64/1316665764.db2.gz FLDIWXRPOHPIIH-QUCCMNQESA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724511 1316667516 /nfs/dbraw/zinc/66/75/16/1316667516.db2.gz ZLGDGOVIJUENPC-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724511 1316667518 /nfs/dbraw/zinc/66/75/18/1316667518.db2.gz ZLGDGOVIJUENPC-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](CCCF)C3)C2)c1 ZINC001041842872 1316729569 /nfs/dbraw/zinc/72/95/69/1316729569.db2.gz IWZRCXMGWZYBJZ-HXUWFJFHSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](CCCF)C3)C2)c1 ZINC001041842872 1316729572 /nfs/dbraw/zinc/72/95/72/1316729572.db2.gz IWZRCXMGWZYBJZ-HXUWFJFHSA-N 1 3 347.478 2.646 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844155 1316729847 /nfs/dbraw/zinc/72/98/47/1316729847.db2.gz DVWFLBLGIPWGSB-FQEVSTJZSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844155 1316729849 /nfs/dbraw/zinc/72/98/49/1316729849.db2.gz DVWFLBLGIPWGSB-FQEVSTJZSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041844654 1316730391 /nfs/dbraw/zinc/73/03/91/1316730391.db2.gz BWOZOCNMQPWZKT-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041844654 1316730394 /nfs/dbraw/zinc/73/03/94/1316730394.db2.gz BWOZOCNMQPWZKT-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041844600 1316730609 /nfs/dbraw/zinc/73/06/09/1316730609.db2.gz ACMTXGGFIDIYEZ-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041844600 1316730612 /nfs/dbraw/zinc/73/06/12/1316730612.db2.gz ACMTXGGFIDIYEZ-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844809 1316730710 /nfs/dbraw/zinc/73/07/10/1316730710.db2.gz OGKDZDMVRSJJLG-HXUWFJFHSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844809 1316730712 /nfs/dbraw/zinc/73/07/12/1316730712.db2.gz OGKDZDMVRSJJLG-HXUWFJFHSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041845670 1316732116 /nfs/dbraw/zinc/73/21/16/1316732116.db2.gz MUBSXDDZNCBFCL-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041845670 1316732119 /nfs/dbraw/zinc/73/21/19/1316732119.db2.gz MUBSXDDZNCBFCL-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2C1 ZINC001042132430 1316899590 /nfs/dbraw/zinc/89/95/90/1316899590.db2.gz CRAIHRIWYWRAGO-FVWZHXKCSA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@H+](C/C=C\Cl)[C@@H]2C1 ZINC001042132430 1316899592 /nfs/dbraw/zinc/89/95/92/1316899592.db2.gz CRAIHRIWYWRAGO-FVWZHXKCSA-N 1 3 344.846 2.623 20 0 EFADHO CC(C)=CCN1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136864 1316902995 /nfs/dbraw/zinc/90/29/95/1316902995.db2.gz XYASCORAVQGNSZ-ROUUACIJSA-N 1 3 331.504 2.504 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042314006 1317137002 /nfs/dbraw/zinc/13/70/02/1317137002.db2.gz LTKYAYOPRNRDBA-HZPDHXFCSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042314006 1317137003 /nfs/dbraw/zinc/13/70/03/1317137003.db2.gz LTKYAYOPRNRDBA-HZPDHXFCSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042314005 1317137171 /nfs/dbraw/zinc/13/71/71/1317137171.db2.gz LTKYAYOPRNRDBA-HOTGVXAUSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042314005 1317137177 /nfs/dbraw/zinc/13/71/77/1317137177.db2.gz LTKYAYOPRNRDBA-HOTGVXAUSA-N 1 3 332.492 2.656 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@H+](CCCF)[C@H]3C2)c1 ZINC001042366548 1317219815 /nfs/dbraw/zinc/21/98/15/1317219815.db2.gz WLNRQPKKOMGJQQ-HKUYNNGSSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](CCCF)[C@H]3C2)c1 ZINC001042366548 1317219822 /nfs/dbraw/zinc/21/98/22/1317219822.db2.gz WLNRQPKKOMGJQQ-HKUYNNGSSA-N 1 3 347.478 2.644 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369688 1317225989 /nfs/dbraw/zinc/22/59/89/1317225989.db2.gz ZZCZPOQEQDBJLD-FXAWDEMLSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369688 1317225994 /nfs/dbraw/zinc/22/59/94/1317225994.db2.gz ZZCZPOQEQDBJLD-FXAWDEMLSA-N 1 3 343.515 2.941 20 0 EFADHO CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1 ZINC001319132568 1328785874 /nfs/dbraw/zinc/78/58/74/1328785874.db2.gz QFPWGEDYCGHWIS-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC001319767591 1328982387 /nfs/dbraw/zinc/98/23/87/1328982387.db2.gz NWHNCKNVHGIHJW-OLZOCXBDSA-N 1 3 343.393 2.508 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C ZINC001319767591 1328982391 /nfs/dbraw/zinc/98/23/91/1328982391.db2.gz NWHNCKNVHGIHJW-OLZOCXBDSA-N 1 3 343.393 2.508 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001491580093 1323721697 /nfs/dbraw/zinc/72/16/97/1323721697.db2.gz QILKQTLEYGVUGX-CQSZACIVSA-N 1 3 339.911 2.912 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001491580558 1323722028 /nfs/dbraw/zinc/72/20/28/1323722028.db2.gz UTRNLWAYMICJTG-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO CN(CCNC(=O)CCC[NH+](C)C)[C@@H]1CCc2c1cccc2Cl ZINC001492395158 1324479825 /nfs/dbraw/zinc/47/98/25/1324479825.db2.gz USKQPGBOQXYFNW-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO C[NH+](C)Cc1ccc(NC(=O)c2ccn(-c3ccncc3)n2)cc1F ZINC001320938640 1329322365 /nfs/dbraw/zinc/32/23/65/1329322365.db2.gz RKPMEJHNSQSXDW-UHFFFAOYSA-N 1 3 339.374 2.720 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001321711022 1329404400 /nfs/dbraw/zinc/40/44/00/1329404400.db2.gz XNPUVZPMGOLTLQ-UZLBHIALSA-N 1 3 341.499 2.817 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001327999141 1330539986 /nfs/dbraw/zinc/53/99/86/1330539986.db2.gz PCTJJNZFWPPOSG-BGYRXZFFSA-N 1 3 345.531 2.597 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001327999141 1330539988 /nfs/dbraw/zinc/53/99/88/1330539988.db2.gz PCTJJNZFWPPOSG-BGYRXZFFSA-N 1 3 345.531 2.597 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@@H]3CC3(Cl)Cl)c2)CC1 ZINC001331053280 1330789278 /nfs/dbraw/zinc/78/92/78/1330789278.db2.gz OOXWVCRGKPOYLL-INIZCTEOSA-N 1 3 342.314 2.717 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC001335395583 1331342894 /nfs/dbraw/zinc/34/28/94/1331342894.db2.gz WTIJADXRGKHYJI-IIDMSEBBSA-N 1 3 340.895 2.852 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC001336764159 1331500632 /nfs/dbraw/zinc/50/06/32/1331500632.db2.gz VGMLBALELAMVCW-RKVPGOIHSA-N 1 3 340.895 2.852 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N[C@H](C)[C@H]1CN(C)CCN1C ZINC001337270213 1331556008 /nfs/dbraw/zinc/55/60/08/1331556008.db2.gz YZSUYOJQZOUYCN-DNVCBOLYSA-N 1 3 326.488 2.574 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001340283576 1332166299 /nfs/dbraw/zinc/16/62/99/1332166299.db2.gz NEWLIFVOZGPVPM-DNVCBOLYSA-N 1 3 346.519 2.919 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)cc2)CC1 ZINC001345724374 1332566699 /nfs/dbraw/zinc/56/66/99/1332566699.db2.gz YCSNMLAUVBPFBK-GOSISDBHSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001001912048 1333719115 /nfs/dbraw/zinc/71/91/15/1333719115.db2.gz SDABAHCOMQQVMF-SJLPKXTDSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001001912053 1333719157 /nfs/dbraw/zinc/71/91/57/1333719157.db2.gz SDABAHCOMQQVMF-WMZOPIPTSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@H+](C)CCNCCC(=O)Nc1cccc(Br)c1 ZINC001353287060 1334066651 /nfs/dbraw/zinc/06/66/51/1334066651.db2.gz FWHXPTLBQBEYAW-UHFFFAOYSA-N 1 3 342.281 2.708 20 0 EFADHO CC(C)[N@@H+](C)CCNCCC(=O)Nc1cccc(Br)c1 ZINC001353287060 1334066658 /nfs/dbraw/zinc/06/66/58/1334066658.db2.gz FWHXPTLBQBEYAW-UHFFFAOYSA-N 1 3 342.281 2.708 20 0 EFADHO C[C@H](CCNCCC(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC001353298776 1334071633 /nfs/dbraw/zinc/07/16/33/1334071633.db2.gz XEFUYOKVLYOVDH-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO C[C@H](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)N(C)C ZINC001353298776 1334071639 /nfs/dbraw/zinc/07/16/39/1334071639.db2.gz XEFUYOKVLYOVDH-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CC2CCCCC2)C1)N1CCCC1 ZINC001100563778 1334296366 /nfs/dbraw/zinc/29/63/66/1334296366.db2.gz VNCSTQIGEVVXRT-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO [NH3+][C@@H](CC(=O)Nc1cccc2c1CNC2)Cc1cc(F)c(F)cc1F ZINC001354661722 1334444331 /nfs/dbraw/zinc/44/43/31/1334444331.db2.gz YQQKYHBTTZSUIU-GFCCVEGCSA-N 1 3 349.356 2.606 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001100647086 1334481659 /nfs/dbraw/zinc/48/16/59/1334481659.db2.gz BXLQNFSDZHTEPG-SOAGJPPSSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1F ZINC001100647181 1334481730 /nfs/dbraw/zinc/48/17/30/1334481730.db2.gz HQKOYTOSIWBRNC-FAFZWHIHSA-N 1 3 349.494 2.705 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001100647215 1334482222 /nfs/dbraw/zinc/48/22/22/1334482222.db2.gz ITOBIGHRQMWTAR-LYBXBRPPSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001100675951 1334550072 /nfs/dbraw/zinc/55/00/72/1334550072.db2.gz DQMJRKASNYALNE-IMUUDWKMSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC001100678176 1334555974 /nfs/dbraw/zinc/55/59/74/1334555974.db2.gz BMHHCLSRFUQRQJ-BELGNNRLSA-N 1 3 349.544 2.691 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001100678544 1334556866 /nfs/dbraw/zinc/55/68/66/1334556866.db2.gz OFDGKZPIDIZZBO-GOSKSXQESA-N 1 3 341.499 2.526 20 0 EFADHO CC1(C)CCN(CC(=O)NCC2CC([NH2+]CC=C(Cl)Cl)C2)C1 ZINC001100681185 1334563553 /nfs/dbraw/zinc/56/35/53/1334563553.db2.gz ZYNLCQBICVEHJK-UHFFFAOYSA-N 1 3 348.318 2.522 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001100683448 1334568574 /nfs/dbraw/zinc/56/85/74/1334568574.db2.gz BSXZCKNDIRNDIH-TVPLGVNVSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001100683633 1334569350 /nfs/dbraw/zinc/56/93/50/1334569350.db2.gz KWIHZUVXFCWDJA-SOOZIIFRSA-N 1 3 329.488 2.524 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001100685060 1334572775 /nfs/dbraw/zinc/57/27/75/1334572775.db2.gz ZDSFNVZOJHRSGP-UPQHMETBSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001100685584 1334573963 /nfs/dbraw/zinc/57/39/63/1334573963.db2.gz KPYHZRSGHSMQDM-PREGVCBESA-N 1 3 337.533 2.690 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)c(OC)c1 ZINC000849060551 1335064287 /nfs/dbraw/zinc/06/42/87/1335064287.db2.gz DWSJWCBGFZYBRW-MRXNPFEDSA-N 1 3 348.491 2.581 20 0 EFADHO COc1ccc(CNC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1OC ZINC000849061509 1335064334 /nfs/dbraw/zinc/06/43/34/1335064334.db2.gz IZHNPCHXRRCIID-CABCVRRESA-N 1 3 348.491 2.581 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1C(F)(F)F ZINC000849063318 1335065661 /nfs/dbraw/zinc/06/56/61/1335065661.db2.gz GFPXHSVUGTUEGH-AWEZNQCLSA-N 1 3 342.409 2.846 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cc(Cl)ccc12 ZINC000849066827 1335066824 /nfs/dbraw/zinc/06/68/24/1335066824.db2.gz SFDKXFFQNFVZNY-HNNXBMFYSA-N 1 3 347.894 2.962 20 0 EFADHO Cc1occc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849067747 1335067315 /nfs/dbraw/zinc/06/73/15/1335067315.db2.gz BACZLTKGWQXXMN-UHFFFAOYSA-N 1 3 326.444 2.867 20 0 EFADHO CC(C)SCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849076398 1335070005 /nfs/dbraw/zinc/07/00/05/1335070005.db2.gz KDIHIPSVNPREFZ-UHFFFAOYSA-N 1 3 334.533 2.907 20 0 EFADHO C[C@H]1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849096730 1335075717 /nfs/dbraw/zinc/07/57/17/1335075717.db2.gz NUCGCRAAASIIDJ-LBPRGKRZSA-N 1 3 328.382 2.661 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000849106858 1335552628 /nfs/dbraw/zinc/55/26/28/1335552628.db2.gz OKIJXLPNQDXJAR-MELADBBJSA-N 1 3 334.430 2.953 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCOc1cccc(C)c1C ZINC000849110993 1335553621 /nfs/dbraw/zinc/55/36/21/1335553621.db2.gz TVQRRZNTHQLVJC-KRWDZBQOSA-N 1 3 332.492 2.671 20 0 EFADHO Cc1ccncc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849114973 1335554515 /nfs/dbraw/zinc/55/45/15/1335554515.db2.gz AEICPWAWOGRIPL-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO CO[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)CC(C)C ZINC000849117674 1335555677 /nfs/dbraw/zinc/55/56/77/1335555677.db2.gz PHTGSYKGVBPQLF-IBGZPJMESA-N 1 3 346.519 2.826 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001414063204 1335609596 /nfs/dbraw/zinc/60/95/96/1335609596.db2.gz JGYOPMOJBUPRHT-LAUBAEHRSA-N 1 3 327.516 2.971 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCN1C(C)C)[NH+](C)C ZINC001361413947 1336062460 /nfs/dbraw/zinc/06/24/60/1336062460.db2.gz CIENPQXYNZPFTJ-UHOSZYNNSA-N 1 3 331.504 2.975 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001361439036 1336082296 /nfs/dbraw/zinc/08/22/96/1336082296.db2.gz SKDZNXRPCYINGI-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001361439036 1336082297 /nfs/dbraw/zinc/08/22/97/1336082297.db2.gz SKDZNXRPCYINGI-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001361864949 1336383996 /nfs/dbraw/zinc/38/39/96/1336383996.db2.gz DTJDLRJTGKOMGP-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001361864949 1336383999 /nfs/dbraw/zinc/38/39/99/1336383999.db2.gz DTJDLRJTGKOMGP-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001361864949 1336384001 /nfs/dbraw/zinc/38/40/01/1336384001.db2.gz DTJDLRJTGKOMGP-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001361964749 1336442496 /nfs/dbraw/zinc/44/24/96/1336442496.db2.gz AGUNBGYUBSFZLC-PKOBYXMFSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001361964749 1336442500 /nfs/dbraw/zinc/44/25/00/1336442500.db2.gz AGUNBGYUBSFZLC-PKOBYXMFSA-N 1 3 331.504 2.744 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)Cc1ccccc1 ZINC001362025358 1336469846 /nfs/dbraw/zinc/46/98/46/1336469846.db2.gz PDFPSKILROROKL-WOJBJXKFSA-N 1 3 345.531 2.929 20 0 EFADHO CCc1ccc([C@H](CNC(=O)CN(C)CC(C)(C)C)[NH+](C)C)cc1 ZINC001362032248 1336472788 /nfs/dbraw/zinc/47/27/88/1336472788.db2.gz WIEOSVXBTQLGBV-SFHVURJKSA-N 1 3 333.520 2.946 20 0 EFADHO CN(C)Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)nc2)cc1F ZINC001362053151 1336481890 /nfs/dbraw/zinc/48/18/90/1336481890.db2.gz YIBCCDJJVYOCRR-UHFFFAOYSA-N 1 3 330.407 2.596 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC001362674566 1336701489 /nfs/dbraw/zinc/70/14/89/1336701489.db2.gz ZDTOJNDNPWBGNW-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC001362674566 1336701492 /nfs/dbraw/zinc/70/14/92/1336701492.db2.gz ZDTOJNDNPWBGNW-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1 ZINC001362758735 1336730162 /nfs/dbraw/zinc/73/01/62/1336730162.db2.gz HVBGBRZJEKSFCU-DFQSSKMNSA-N 1 3 343.515 2.901 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001362789186 1336742569 /nfs/dbraw/zinc/74/25/69/1336742569.db2.gz LNKFICQOPVQJLF-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001362789186 1336742571 /nfs/dbraw/zinc/74/25/71/1336742571.db2.gz LNKFICQOPVQJLF-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO COC(=O)[C@@H]1CC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001363197157 1336827593 /nfs/dbraw/zinc/82/75/93/1336827593.db2.gz HXBXWBIUDRPERW-HXUWFJFHSA-N 1 3 344.499 2.826 20 0 EFADHO COC(=O)[C@@H]1CC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001363197157 1336827594 /nfs/dbraw/zinc/82/75/94/1336827594.db2.gz HXBXWBIUDRPERW-HXUWFJFHSA-N 1 3 344.499 2.826 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC001363317254 1336872573 /nfs/dbraw/zinc/87/25/73/1336872573.db2.gz DYQPGRNJEOCNHE-OTWHNJEPSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC001363317254 1336872576 /nfs/dbraw/zinc/87/25/76/1336872576.db2.gz DYQPGRNJEOCNHE-OTWHNJEPSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(C)(C)C)CC2)ccc1-n1cncn1 ZINC001363350932 1336888400 /nfs/dbraw/zinc/88/84/00/1336888400.db2.gz HFTWQIGJGZLFHS-UHFFFAOYSA-N 1 3 327.476 2.928 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC001363680365 1336990460 /nfs/dbraw/zinc/99/04/60/1336990460.db2.gz IMQJLOUUWGTBTD-UHFFFAOYSA-N 1 3 346.519 2.806 20 0 EFADHO CCCCN1CCC([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC001363858809 1337085921 /nfs/dbraw/zinc/08/59/21/1337085921.db2.gz LEBNLYPJRUCIEN-UHFFFAOYSA-N 1 3 329.488 2.933 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2ccccc2nc1OC ZINC001363872080 1337093578 /nfs/dbraw/zinc/09/35/78/1337093578.db2.gz IETIKBFMBNZSCS-KRWDZBQOSA-N 1 3 331.460 2.690 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3CCCCN(C)C3)CC2)c1 ZINC001363872747 1337093836 /nfs/dbraw/zinc/09/38/36/1337093836.db2.gz DXCLWMLUYVQJEJ-SFHVURJKSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC[C@H]1C ZINC001363874252 1337094625 /nfs/dbraw/zinc/09/46/25/1337094625.db2.gz JNSKYRAAQSEUPE-SJORKVTESA-N 1 3 347.503 2.506 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC001364019010 1337151962 /nfs/dbraw/zinc/15/19/62/1337151962.db2.gz COGRVAGQPQKHKR-LJQANCHMSA-N 1 3 349.519 2.969 20 0 EFADHO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001364422819 1337186672 /nfs/dbraw/zinc/18/66/72/1337186672.db2.gz LXVDHYHNUYZPFX-POAQFYNOSA-N 1 3 331.504 2.964 20 0 EFADHO CC1CC[NH+](CC[C@@H]2CCCN2CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001365321740 1337221830 /nfs/dbraw/zinc/22/18/30/1337221830.db2.gz CRYPBURPHJJZQZ-AQNXPRMDSA-N 1 3 337.552 2.682 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001365851722 1337256919 /nfs/dbraw/zinc/25/69/19/1337256919.db2.gz URCQQFSGTOCEIC-XUVXKRRUSA-N 1 3 343.515 2.567 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1c1ccccc1)N(C)C ZINC001365851722 1337256924 /nfs/dbraw/zinc/25/69/24/1337256924.db2.gz URCQQFSGTOCEIC-XUVXKRRUSA-N 1 3 343.515 2.567 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001365851587 1337257247 /nfs/dbraw/zinc/25/72/47/1337257247.db2.gz YCXXWZNWKMYQNV-DTTOXWODSA-N 1 3 335.467 2.711 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001365999340 1337312562 /nfs/dbraw/zinc/31/25/62/1337312562.db2.gz NUTJCTYNQDJVFC-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001365999340 1337312564 /nfs/dbraw/zinc/31/25/64/1337312564.db2.gz NUTJCTYNQDJVFC-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@H](N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001366048793 1337346454 /nfs/dbraw/zinc/34/64/54/1337346454.db2.gz JOZQWJJICIVNML-KSSFIOAISA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H](N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001366048794 1337346596 /nfs/dbraw/zinc/34/65/96/1337346596.db2.gz JOZQWJJICIVNML-RDTXWAMCSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c(C)c1 ZINC001366098199 1337378468 /nfs/dbraw/zinc/37/84/68/1337378468.db2.gz JRCCQHCTITWGPH-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2cccc(Cl)c2F)C1 ZINC001366121068 1337387942 /nfs/dbraw/zinc/38/79/42/1337387942.db2.gz OTIHLOBBJNEOFA-HDJSIYSDSA-N 1 3 341.858 2.558 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001366120766 1337388113 /nfs/dbraw/zinc/38/81/13/1337388113.db2.gz XNTAFGJPFPFSJO-BZUAXINKSA-N 1 3 339.430 2.701 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001366187100 1337426989 /nfs/dbraw/zinc/42/69/89/1337426989.db2.gz KLBOWXBKEOBCEH-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001366187100 1337426992 /nfs/dbraw/zinc/42/69/92/1337426992.db2.gz KLBOWXBKEOBCEH-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001366206745 1337443828 /nfs/dbraw/zinc/44/38/28/1337443828.db2.gz ROEXBXPUEQAISX-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001366226160 1337459021 /nfs/dbraw/zinc/45/90/21/1337459021.db2.gz LMVRXFZYKHSMRR-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001366226160 1337459024 /nfs/dbraw/zinc/45/90/24/1337459024.db2.gz LMVRXFZYKHSMRR-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001366239835 1337472041 /nfs/dbraw/zinc/47/20/41/1337472041.db2.gz FFZZCYSHDZKBEH-ABHNRTSZSA-N 1 3 335.467 2.683 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001366241464 1337472722 /nfs/dbraw/zinc/47/27/22/1337472722.db2.gz FVASGTLPBFQTPO-MHJFOBGBSA-N 1 3 345.531 2.832 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001366243652 1337474199 /nfs/dbraw/zinc/47/41/99/1337474199.db2.gz WWGWJJGYDBPNTE-ACBHZAAOSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001366245379 1337474738 /nfs/dbraw/zinc/47/47/38/1337474738.db2.gz DIAMPAOLJZBTBS-ODIFPOPNSA-N 1 3 334.508 2.960 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001366283253 1337489715 /nfs/dbraw/zinc/48/97/15/1337489715.db2.gz BDAWGLVPUZNJRY-BBRMVZONSA-N 1 3 341.446 2.805 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001366325855 1337514214 /nfs/dbraw/zinc/51/42/14/1337514214.db2.gz RCLFLLILRJNOPN-WMLDXEAASA-N 1 3 339.911 2.563 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001366398422 1337558382 /nfs/dbraw/zinc/55/83/82/1337558382.db2.gz WOOAYILMHJLLPF-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001366425977 1337576058 /nfs/dbraw/zinc/57/60/58/1337576058.db2.gz IBGBXWCLVZQXEV-OALUTQOASA-N 1 3 331.504 2.588 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001366491535 1337631619 /nfs/dbraw/zinc/63/16/19/1337631619.db2.gz XZAOCTCYYQEQKC-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001366539404 1337675374 /nfs/dbraw/zinc/67/53/74/1337675374.db2.gz HUYXJPAOXZXBTC-IAGOWNOFSA-N 1 3 337.895 2.716 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001366539404 1337675376 /nfs/dbraw/zinc/67/53/76/1337675376.db2.gz HUYXJPAOXZXBTC-IAGOWNOFSA-N 1 3 337.895 2.716 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001366543369 1337679624 /nfs/dbraw/zinc/67/96/24/1337679624.db2.gz CNRZYOGHURHYOQ-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001366543369 1337679628 /nfs/dbraw/zinc/67/96/28/1337679628.db2.gz CNRZYOGHURHYOQ-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001366561277 1337695615 /nfs/dbraw/zinc/69/56/15/1337695615.db2.gz RHWLEJOHZMOERU-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001366561277 1337695622 /nfs/dbraw/zinc/69/56/22/1337695622.db2.gz RHWLEJOHZMOERU-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001366670538 1337835470 /nfs/dbraw/zinc/83/54/70/1337835470.db2.gz UIGVIBHVKQKQLH-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001366670532 1337835622 /nfs/dbraw/zinc/83/56/22/1337835622.db2.gz UIGVIBHVKQKQLH-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1 ZINC001366718587 1337916648 /nfs/dbraw/zinc/91/66/48/1337916648.db2.gz YHNFUJQLAJCPAR-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1 ZINC001366718587 1337916649 /nfs/dbraw/zinc/91/66/49/1337916649.db2.gz YHNFUJQLAJCPAR-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001366741224 1337949673 /nfs/dbraw/zinc/94/96/73/1337949673.db2.gz WSSMWPGKIMSKOL-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccccc1C[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001366745054 1337955753 /nfs/dbraw/zinc/95/57/53/1337955753.db2.gz LSDVYNKZZFVASE-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1C[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001366745054 1337955755 /nfs/dbraw/zinc/95/57/55/1337955755.db2.gz LSDVYNKZZFVASE-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001366821036 1338063272 /nfs/dbraw/zinc/06/32/72/1338063272.db2.gz KOLQYKOQJLLCFD-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001366821036 1338063279 /nfs/dbraw/zinc/06/32/79/1338063279.db2.gz KOLQYKOQJLLCFD-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001366880153 1338156891 /nfs/dbraw/zinc/15/68/91/1338156891.db2.gz RNVXDUYEOVBUPJ-CXOKCQFOSA-N 1 3 347.906 2.589 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001366880153 1338156893 /nfs/dbraw/zinc/15/68/93/1338156893.db2.gz RNVXDUYEOVBUPJ-CXOKCQFOSA-N 1 3 347.906 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001366882953 1338161269 /nfs/dbraw/zinc/16/12/69/1338161269.db2.gz MPULTJRFIKXNDE-IBGZPJMESA-N 1 3 349.494 2.778 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001366882953 1338161273 /nfs/dbraw/zinc/16/12/73/1338161273.db2.gz MPULTJRFIKXNDE-IBGZPJMESA-N 1 3 349.494 2.778 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366970206 1338229610 /nfs/dbraw/zinc/22/96/10/1338229610.db2.gz BXSAIPHCTJDPDD-INIZCTEOSA-N 1 3 329.488 2.588 20 0 EFADHO CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001366989116 1338247116 /nfs/dbraw/zinc/24/71/16/1338247116.db2.gz WUBPFLBTJXMZMV-VQIMIIECSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001367008372 1338262414 /nfs/dbraw/zinc/26/24/14/1338262414.db2.gz IBADHBRJDJARSI-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001367015885 1338271724 /nfs/dbraw/zinc/27/17/24/1338271724.db2.gz JSVHPLDKDRJMNN-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001367015885 1338271729 /nfs/dbraw/zinc/27/17/29/1338271729.db2.gz JSVHPLDKDRJMNN-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001367036298 1338297372 /nfs/dbraw/zinc/29/73/72/1338297372.db2.gz VGRRNYNJZRTIAM-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001367036298 1338297376 /nfs/dbraw/zinc/29/73/76/1338297376.db2.gz VGRRNYNJZRTIAM-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367042767 1338303949 /nfs/dbraw/zinc/30/39/49/1338303949.db2.gz CXSAJXQNFGVPOQ-UXHICEINSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367042767 1338303954 /nfs/dbraw/zinc/30/39/54/1338303954.db2.gz CXSAJXQNFGVPOQ-UXHICEINSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001367056072 1338323985 /nfs/dbraw/zinc/32/39/85/1338323985.db2.gz FKRNTONBIMEICW-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001367058808 1338328124 /nfs/dbraw/zinc/32/81/24/1338328124.db2.gz LDWLXUPYFSUFOF-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001367058808 1338328132 /nfs/dbraw/zinc/32/81/32/1338328132.db2.gz LDWLXUPYFSUFOF-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001367131659 1338420070 /nfs/dbraw/zinc/42/00/70/1338420070.db2.gz JLIMYPDWXQDYEL-UXHICEINSA-N 1 3 345.531 2.746 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCCC2CCN(CCF)CC2)cc1 ZINC001367216466 1338526658 /nfs/dbraw/zinc/52/66/58/1338526658.db2.gz PWYAVOHMVRTISM-UHFFFAOYSA-N 1 3 335.467 2.550 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001367243842 1338546668 /nfs/dbraw/zinc/54/66/68/1338546668.db2.gz PFBXMYKVHZENBB-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001367244071 1338547669 /nfs/dbraw/zinc/54/76/69/1338547669.db2.gz PXZJDSVMLZZUOF-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001367267056 1338566211 /nfs/dbraw/zinc/56/62/11/1338566211.db2.gz AACSKDAXGSTYPG-HNAYVOBHSA-N 1 3 345.487 2.861 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001367268050 1338567350 /nfs/dbraw/zinc/56/73/50/1338567350.db2.gz GPHYVIRZWWXZKK-IUODEOHRSA-N 1 3 345.940 2.830 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001367269654 1338569082 /nfs/dbraw/zinc/56/90/82/1338569082.db2.gz ATKCITGVALPQJH-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001367272960 1338571708 /nfs/dbraw/zinc/57/17/08/1338571708.db2.gz YXRMFWPLKBRZTN-VQIMIIECSA-N 1 3 333.520 2.732 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCCCC1 ZINC001367273849 1338574018 /nfs/dbraw/zinc/57/40/18/1338574018.db2.gz UCJGKOIJJPADIO-MRXNPFEDSA-N 1 3 325.541 2.887 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001367285225 1338584935 /nfs/dbraw/zinc/58/49/35/1338584935.db2.gz GKTVYWNVDDBJDL-KXBFYZLASA-N 1 3 333.520 2.794 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367293211 1338592930 /nfs/dbraw/zinc/59/29/30/1338592930.db2.gz TXMYAUOBYANHFC-WFASDCNBSA-N 1 3 345.940 2.830 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C)CCCC1)N(C)C ZINC001367325302 1338624280 /nfs/dbraw/zinc/62/42/80/1338624280.db2.gz VRXDIKFUJKINAC-SFHVURJKSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326433 1338625345 /nfs/dbraw/zinc/62/53/45/1338625345.db2.gz DXNKXINXAFWSPJ-CVEARBPZSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326433 1338625350 /nfs/dbraw/zinc/62/53/50/1338625350.db2.gz DXNKXINXAFWSPJ-CVEARBPZSA-N 1 3 347.478 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001367334338 1338633762 /nfs/dbraw/zinc/63/37/62/1338633762.db2.gz NFAVLTDHAILZRC-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001367353238 1338649750 /nfs/dbraw/zinc/64/97/50/1338649750.db2.gz GQVBQGRIVNUTFP-WMLDXEAASA-N 1 3 337.895 2.679 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367354874 1338651209 /nfs/dbraw/zinc/65/12/09/1338651209.db2.gz DETRTFVTTNHSDJ-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001367386269 1338682280 /nfs/dbraw/zinc/68/22/80/1338682280.db2.gz UAODGNHITFFUNX-LRDDRELGSA-N 1 3 325.522 2.642 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001367387178 1338683011 /nfs/dbraw/zinc/68/30/11/1338683011.db2.gz STPIKUSAJJHOIP-XJKSGUPXSA-N 1 3 325.522 2.579 20 0 EFADHO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001367389588 1338686796 /nfs/dbraw/zinc/68/67/96/1338686796.db2.gz ZLSOAZMIQRRHFM-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001367396753 1338694386 /nfs/dbraw/zinc/69/43/86/1338694386.db2.gz GTWWQFFUPUHJQI-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367400154 1338698125 /nfs/dbraw/zinc/69/81/25/1338698125.db2.gz MDKJVJQFWFUMJO-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001367442802 1338745222 /nfs/dbraw/zinc/74/52/22/1338745222.db2.gz LEQRTASYDBWGAO-LPHOPBHVSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001367475644 1338774923 /nfs/dbraw/zinc/77/49/23/1338774923.db2.gz UYJCOMMIDHIMHG-SJLPKXTDSA-N 1 3 331.504 2.962 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(Cl)c1)C(C)C)N(C)C ZINC001367496906 1338795252 /nfs/dbraw/zinc/79/52/52/1338795252.db2.gz XSINXZJHMNSWTE-IRXDYDNUSA-N 1 3 339.911 2.911 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001367545866 1338853035 /nfs/dbraw/zinc/85/30/35/1338853035.db2.gz OLVFMSDIWFWRIV-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001367545866 1338853037 /nfs/dbraw/zinc/85/30/37/1338853037.db2.gz OLVFMSDIWFWRIV-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367554392 1338864797 /nfs/dbraw/zinc/86/47/97/1338864797.db2.gz SJIAHMCXVCKESI-WMZOPIPTSA-N 1 3 335.467 2.619 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367554392 1338864800 /nfs/dbraw/zinc/86/48/00/1338864800.db2.gz SJIAHMCXVCKESI-WMZOPIPTSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001367578408 1338877737 /nfs/dbraw/zinc/87/77/37/1338877737.db2.gz KLSHRQLFKLRWSN-FUHWJXTLSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C1CC[NH+](C)CC1 ZINC001367650626 1338905362 /nfs/dbraw/zinc/90/53/62/1338905362.db2.gz XNTUZMHAOKPTQF-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)CC(C)(C)C ZINC001367695932 1338936534 /nfs/dbraw/zinc/93/65/34/1338936534.db2.gz VBXAAXAIHPFMNI-RDTXWAMCSA-N 1 3 349.494 2.885 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367699340 1338939137 /nfs/dbraw/zinc/93/91/37/1338939137.db2.gz YXKQFYXZLZZSMU-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367709649 1338948903 /nfs/dbraw/zinc/94/89/03/1338948903.db2.gz VUXKDJZNCZHCOU-RHSMWYFYSA-N 1 3 339.911 2.829 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001367740885 1338970341 /nfs/dbraw/zinc/97/03/41/1338970341.db2.gz SMDWISOTRCAURB-YOEHRIQHSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367766880 1338992618 /nfs/dbraw/zinc/99/26/18/1338992618.db2.gz VISHINLWTVHEKV-YOEHRIQHSA-N 1 3 339.911 2.829 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803886 1339023895 /nfs/dbraw/zinc/02/38/95/1339023895.db2.gz MHNICSKMPRZDTK-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803886 1339023898 /nfs/dbraw/zinc/02/38/98/1339023898.db2.gz MHNICSKMPRZDTK-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001367828048 1339043775 /nfs/dbraw/zinc/04/37/75/1339043775.db2.gz BIWFXEFUZLQNQQ-CYBMUJFWSA-N 1 3 337.533 2.643 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001367837956 1339054039 /nfs/dbraw/zinc/05/40/39/1339054039.db2.gz VJCBTBHFMNXSGR-HNAYVOBHSA-N 1 3 345.487 2.956 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367845638 1339062280 /nfs/dbraw/zinc/06/22/80/1339062280.db2.gz OFFFCGHZEOHBBT-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367845638 1339062282 /nfs/dbraw/zinc/06/22/82/1339062282.db2.gz OFFFCGHZEOHBBT-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC001367846850 1339063603 /nfs/dbraw/zinc/06/36/03/1339063603.db2.gz MOMYDWIAJYYJAJ-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001367846850 1339063605 /nfs/dbraw/zinc/06/36/05/1339063605.db2.gz MOMYDWIAJYYJAJ-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC/C=C\c1ccccc1 ZINC001367847965 1339064216 /nfs/dbraw/zinc/06/42/16/1339064216.db2.gz GXWYHBKFPMNXAZ-UBAGTECSSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC/C=C\c1ccccc1 ZINC001367847965 1339064218 /nfs/dbraw/zinc/06/42/18/1339064218.db2.gz GXWYHBKFPMNXAZ-UBAGTECSSA-N 1 3 340.471 2.801 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001367855854 1339071885 /nfs/dbraw/zinc/07/18/85/1339071885.db2.gz XETJNNDKLDRJBI-IEBWSBKVSA-N 1 3 346.519 2.599 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001367855853 1339071942 /nfs/dbraw/zinc/07/19/42/1339071942.db2.gz XETJNNDKLDRJBI-HKUYNNGSSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001367858953 1339073884 /nfs/dbraw/zinc/07/38/84/1339073884.db2.gz GPBTUNOQUPGWJC-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)c(C)s1 ZINC001367904414 1339097739 /nfs/dbraw/zinc/09/77/39/1339097739.db2.gz SXSHURRVIQGRMH-GOSISDBHSA-N 1 3 349.544 2.834 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)CC1 ZINC001367961749 1339130125 /nfs/dbraw/zinc/13/01/25/1339130125.db2.gz PKLMYGACHRFCSP-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)cc1 ZINC001367997314 1339149982 /nfs/dbraw/zinc/14/99/82/1339149982.db2.gz NAZNEKGPLCVKBX-GOSISDBHSA-N 1 3 329.488 2.606 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001368002854 1339152704 /nfs/dbraw/zinc/15/27/04/1339152704.db2.gz LWUXGYNWCLGTLO-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001368008926 1339155580 /nfs/dbraw/zinc/15/55/80/1339155580.db2.gz XZCGDGCDUWMZJI-SFHVURJKSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C)N3CCCCCC3)CC2)cc1 ZINC001368026481 1339163839 /nfs/dbraw/zinc/16/38/39/1339163839.db2.gz CHBSCIARJJJFDH-SFHVURJKSA-N 1 3 343.515 2.998 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001368036703 1339168901 /nfs/dbraw/zinc/16/89/01/1339168901.db2.gz MXNFGTXCDCWUHL-VEGGFIAOSA-N 1 3 329.488 2.524 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001368070460 1339185801 /nfs/dbraw/zinc/18/58/01/1339185801.db2.gz WSLBLRVOXHOVRE-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001368117097 1339201388 /nfs/dbraw/zinc/20/13/88/1339201388.db2.gz CAHFBJOORYCLJQ-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001368155712 1339224170 /nfs/dbraw/zinc/22/41/70/1339224170.db2.gz AEWIGAYKSNEYLQ-ICSRJNTNSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CCN(Cc2ccccc2)C1 ZINC001368166079 1339231083 /nfs/dbraw/zinc/23/10/83/1339231083.db2.gz BHFOSWPINFRQRU-HXUWFJFHSA-N 1 3 329.488 2.643 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001368188416 1339244213 /nfs/dbraw/zinc/24/42/13/1339244213.db2.gz FQCORWMOENDDFF-PZJWPPBQSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(CC)c2)C1 ZINC001368330663 1339301310 /nfs/dbraw/zinc/30/13/10/1339301310.db2.gz BAANJZGRLLMJMV-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001368350746 1339311562 /nfs/dbraw/zinc/31/15/62/1339311562.db2.gz UNMPAQOYDJMZHV-QAQDUYKDSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363611 1339316596 /nfs/dbraw/zinc/31/65/96/1339316596.db2.gz LCLOQKJUCFVWAB-YRXWBPOGSA-N 1 3 337.552 2.645 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363611 1339316598 /nfs/dbraw/zinc/31/65/98/1339316598.db2.gz LCLOQKJUCFVWAB-YRXWBPOGSA-N 1 3 337.552 2.645 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)N(C)C ZINC001368475327 1339411149 /nfs/dbraw/zinc/41/11/49/1339411149.db2.gz IOQDBOIWDVQLII-QGZVFWFLSA-N 1 3 335.467 2.625 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCC1 ZINC001368494638 1339431988 /nfs/dbraw/zinc/43/19/88/1339431988.db2.gz RNOHCXODETTXCH-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001368499561 1339437035 /nfs/dbraw/zinc/43/70/35/1339437035.db2.gz CXNBZRRKNSMTFM-DSLXNQLJSA-N 1 3 343.515 2.882 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)CC1)N(C)C ZINC001368514111 1339448176 /nfs/dbraw/zinc/44/81/76/1339448176.db2.gz OARSSRZXWVPEJI-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)CC1)N(C)C ZINC001368514111 1339448178 /nfs/dbraw/zinc/44/81/78/1339448178.db2.gz OARSSRZXWVPEJI-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001368516898 1339452098 /nfs/dbraw/zinc/45/20/98/1339452098.db2.gz OXBJQEVXFAXFFU-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001368516898 1339452102 /nfs/dbraw/zinc/45/21/02/1339452102.db2.gz OXBJQEVXFAXFFU-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001368520596 1339456935 /nfs/dbraw/zinc/45/69/35/1339456935.db2.gz BYUMGWLIRZNKPH-KDURUIRLSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368523935 1339461272 /nfs/dbraw/zinc/46/12/72/1339461272.db2.gz NQYSODWNDFUKRU-FPAYPSAMSA-N 1 3 331.504 2.881 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1)N(C)C ZINC001368534211 1339473462 /nfs/dbraw/zinc/47/34/62/1339473462.db2.gz QNSYLEXAILWWEG-RDJZCZTQSA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1)N(C)C ZINC001368534211 1339473468 /nfs/dbraw/zinc/47/34/68/1339473468.db2.gz QNSYLEXAILWWEG-RDJZCZTQSA-N 1 3 337.533 2.602 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C ZINC001368549241 1339486506 /nfs/dbraw/zinc/48/65/06/1339486506.db2.gz PYBTZYLAKVTMHH-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@H]1CCCCN1C ZINC001368549241 1339486508 /nfs/dbraw/zinc/48/65/08/1339486508.db2.gz PYBTZYLAKVTMHH-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559666 1339503087 /nfs/dbraw/zinc/50/30/87/1339503087.db2.gz LOPMNVFKWCJHON-SJORKVTESA-N 1 3 334.508 2.949 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559666 1339503090 /nfs/dbraw/zinc/50/30/90/1339503090.db2.gz LOPMNVFKWCJHON-SJORKVTESA-N 1 3 334.508 2.949 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001368565072 1339513330 /nfs/dbraw/zinc/51/33/30/1339513330.db2.gz BZGSKRCNAMUYNM-CAMMJAKZSA-N 1 3 331.504 2.818 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001368662044 1339573862 /nfs/dbraw/zinc/57/38/62/1339573862.db2.gz AOMSBNRZQMHDDJ-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)C/C=C\Cl)CC1)N(C)C ZINC001368770487 1339695453 /nfs/dbraw/zinc/69/54/53/1339695453.db2.gz MSLAWDQSFNERBR-BSDKJSHOSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)C/C=C\Cl)CC1)N(C)C ZINC001368770487 1339695455 /nfs/dbraw/zinc/69/54/55/1339695455.db2.gz MSLAWDQSFNERBR-BSDKJSHOSA-N 1 3 329.916 2.640 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CCc1ccccc1F ZINC001368817134 1339756612 /nfs/dbraw/zinc/75/66/12/1339756612.db2.gz RZHTYTGVYNJAPR-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)CCc1ccccc1F ZINC001368817134 1339756618 /nfs/dbraw/zinc/75/66/18/1339756618.db2.gz RZHTYTGVYNJAPR-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001369090455 1339909567 /nfs/dbraw/zinc/90/95/67/1339909567.db2.gz HDSQZWZGRPGMCV-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001370266127 1339996392 /nfs/dbraw/zinc/99/63/92/1339996392.db2.gz QEWZZAYZSJFDBJ-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305618 1340024344 /nfs/dbraw/zinc/02/43/44/1340024344.db2.gz UEFYFGXMGDIHBL-IAGOWNOFSA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305618 1340024346 /nfs/dbraw/zinc/02/43/46/1340024346.db2.gz UEFYFGXMGDIHBL-IAGOWNOFSA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305619 1340024574 /nfs/dbraw/zinc/02/45/74/1340024574.db2.gz UEFYFGXMGDIHBL-IRXDYDNUSA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305619 1340024575 /nfs/dbraw/zinc/02/45/75/1340024575.db2.gz UEFYFGXMGDIHBL-IRXDYDNUSA-N 1 3 334.508 2.805 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001370313744 1340029395 /nfs/dbraw/zinc/02/93/95/1340029395.db2.gz MPHJNCIYSJIIMF-QGZVFWFLSA-N 1 3 335.467 2.502 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001370481721 1340095458 /nfs/dbraw/zinc/09/54/58/1340095458.db2.gz GJIOYEIXEKZCIU-WGSAOQKQSA-N 1 3 343.515 2.860 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001370519224 1340112801 /nfs/dbraw/zinc/11/28/01/1340112801.db2.gz HEVYBNYYRKPHFV-CAMMJAKZSA-N 1 3 329.488 2.641 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001370543719 1340126192 /nfs/dbraw/zinc/12/61/92/1340126192.db2.gz ABNBSTLJULNXTD-YXTFVYDWSA-N 1 3 329.488 2.523 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC001370754201 1340199128 /nfs/dbraw/zinc/19/91/28/1340199128.db2.gz QMVJRIZHENGHFF-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC001370754201 1340199130 /nfs/dbraw/zinc/19/91/30/1340199130.db2.gz QMVJRIZHENGHFF-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001370757320 1340199614 /nfs/dbraw/zinc/19/96/14/1340199614.db2.gz ZHFUKZFVFDQRRM-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001370757320 1340199616 /nfs/dbraw/zinc/19/96/16/1340199616.db2.gz ZHFUKZFVFDQRRM-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001370770483 1340203119 /nfs/dbraw/zinc/20/31/19/1340203119.db2.gz BELWKDOMOYPOFF-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001370770483 1340203120 /nfs/dbraw/zinc/20/31/20/1340203120.db2.gz BELWKDOMOYPOFF-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2CC)C1 ZINC001370786166 1340209806 /nfs/dbraw/zinc/20/98/06/1340209806.db2.gz SFYCKQAUOHVRSS-SFHVURJKSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2CC)C1 ZINC001370786166 1340209809 /nfs/dbraw/zinc/20/98/09/1340209809.db2.gz SFYCKQAUOHVRSS-SFHVURJKSA-N 1 3 345.531 2.919 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001370787484 1340210394 /nfs/dbraw/zinc/21/03/94/1340210394.db2.gz VXWDHUCECWCWQJ-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001370787484 1340210395 /nfs/dbraw/zinc/21/03/95/1340210395.db2.gz VXWDHUCECWCWQJ-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041464 1340329608 /nfs/dbraw/zinc/32/96/08/1340329608.db2.gz FTXVNZQIPXIDPA-RMMWZPCPSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041464 1340329611 /nfs/dbraw/zinc/32/96/11/1340329611.db2.gz FTXVNZQIPXIDPA-RMMWZPCPSA-N 1 3 343.515 2.770 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001371197754 1340409905 /nfs/dbraw/zinc/40/99/05/1340409905.db2.gz BXRDOKDARCJPNK-JKSUJKDBSA-N 1 3 343.515 2.815 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2F ZINC001371360981 1340528310 /nfs/dbraw/zinc/52/83/10/1340528310.db2.gz FLXNHSLUNCPEOZ-KDOFPFPSSA-N 1 3 349.494 2.885 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001371659813 1340686906 /nfs/dbraw/zinc/68/69/06/1340686906.db2.gz OZLPFYXXAMECMS-OALUTQOASA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001371659815 1340687028 /nfs/dbraw/zinc/68/70/28/1340687028.db2.gz OZLPFYXXAMECMS-RBUKOAKNSA-N 1 3 331.504 2.854 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001371832370 1340710446 /nfs/dbraw/zinc/71/04/46/1340710446.db2.gz ZFJSVIIIWTZUQF-HKUYNNGSSA-N 1 3 333.520 2.936 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001371870417 1340731996 /nfs/dbraw/zinc/73/19/96/1340731996.db2.gz SEBSBDDOOJJARY-YPMHNXCESA-N 1 3 331.913 2.726 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001373236567 1340961783 /nfs/dbraw/zinc/96/17/83/1340961783.db2.gz LNFJCHFXBXLGPU-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001373236567 1340961784 /nfs/dbraw/zinc/96/17/84/1340961784.db2.gz LNFJCHFXBXLGPU-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001373399266 1341012375 /nfs/dbraw/zinc/01/23/75/1341012375.db2.gz GPPHBBVZOUJQBE-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373666947 1341090930 /nfs/dbraw/zinc/09/09/30/1341090930.db2.gz JXVKLIYFWLEQBX-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373666947 1341090932 /nfs/dbraw/zinc/09/09/32/1341090932.db2.gz JXVKLIYFWLEQBX-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373680384 1341097424 /nfs/dbraw/zinc/09/74/24/1341097424.db2.gz NEBCWESXZCYHST-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373689492 1341103082 /nfs/dbraw/zinc/10/30/82/1341103082.db2.gz VGWFVRIGEBAPLX-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373689492 1341103084 /nfs/dbraw/zinc/10/30/84/1341103084.db2.gz VGWFVRIGEBAPLX-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373689489 1341103120 /nfs/dbraw/zinc/10/31/20/1341103120.db2.gz VGWFVRIGEBAPLX-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373689489 1341103121 /nfs/dbraw/zinc/10/31/21/1341103121.db2.gz VGWFVRIGEBAPLX-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1C ZINC001373799182 1341152430 /nfs/dbraw/zinc/15/24/30/1341152430.db2.gz VSYLAVLCIOXPAN-SFHVURJKSA-N 1 3 333.520 2.957 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001373819178 1341161509 /nfs/dbraw/zinc/16/15/09/1341161509.db2.gz SUYYXAGIZRDFTG-SJLPKXTDSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001373859911 1341178310 /nfs/dbraw/zinc/17/83/10/1341178310.db2.gz GOTFDAOCCULATB-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]Cc2cccnc2)CCCC[C@@H]1C ZINC001373897550 1341194529 /nfs/dbraw/zinc/19/45/29/1341194529.db2.gz DRSDDANWTNOZPE-FXAWDEMLSA-N 1 3 346.519 2.578 20 0 EFADHO CC1CCN(CC(=O)NCCC2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001373949236 1341239737 /nfs/dbraw/zinc/23/97/37/1341239737.db2.gz NSQYPYQDQFCZJK-WAPJZHGLSA-N 1 3 341.927 2.689 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001374030570 1341319679 /nfs/dbraw/zinc/31/96/79/1341319679.db2.gz XWTOCEDBHGZXTM-GUYCJALGSA-N 1 3 339.549 2.793 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001374030564 1341319754 /nfs/dbraw/zinc/31/97/54/1341319754.db2.gz XWTOCEDBHGZXTM-DYVFJYSZSA-N 1 3 339.549 2.793 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001374076671 1341368842 /nfs/dbraw/zinc/36/88/42/1341368842.db2.gz BSJHQUXEUCRHSK-LPHOPBHVSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001374079874 1341374069 /nfs/dbraw/zinc/37/40/69/1341374069.db2.gz QOHTVDFVJWZRTA-INIZCTEOSA-N 1 3 333.520 2.815 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374204216 1341552444 /nfs/dbraw/zinc/55/24/44/1341552444.db2.gz CRMXPMZBIAHHCV-VQIMIIECSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001374206280 1341553416 /nfs/dbraw/zinc/55/34/16/1341553416.db2.gz NJQSZMJPPNJPLP-BLLLJJGKSA-N 1 3 341.858 2.510 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374269573 1341636969 /nfs/dbraw/zinc/63/69/69/1341636969.db2.gz AATARCBZGBRPBL-SJLPKXTDSA-N 1 3 347.503 2.505 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001374305779 1341690703 /nfs/dbraw/zinc/69/07/03/1341690703.db2.gz KSFQRNRJRYTSEP-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001374305779 1341690705 /nfs/dbraw/zinc/69/07/05/1341690705.db2.gz KSFQRNRJRYTSEP-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001392076667 1355752019 /nfs/dbraw/zinc/75/20/19/1355752019.db2.gz VFBOXLGHZRXWQS-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC001374389190 1341841498 /nfs/dbraw/zinc/84/14/98/1341841498.db2.gz XFHMJJBJDJDUHK-PBHICJAKSA-N 1 3 337.533 2.725 20 0 EFADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001374419734 1341898358 /nfs/dbraw/zinc/89/83/58/1341898358.db2.gz PEWDHMSIIOUEKV-HVHJFMEUSA-N 1 3 329.916 2.734 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1F)C(C)C)N(C)C ZINC001374435791 1341919494 /nfs/dbraw/zinc/91/94/94/1341919494.db2.gz MQNVRWDYVXBXFB-IRXDYDNUSA-N 1 3 341.446 2.535 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500780 1341986900 /nfs/dbraw/zinc/98/69/00/1341986900.db2.gz XPHOBWKHPXFVAO-UHFFFAOYSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500780 1341986901 /nfs/dbraw/zinc/98/69/01/1341986901.db2.gz XPHOBWKHPXFVAO-UHFFFAOYSA-N 1 3 345.531 2.666 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001374532315 1342030669 /nfs/dbraw/zinc/03/06/69/1342030669.db2.gz VOMIOBLUGMBMDY-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c(C)c1 ZINC001374547991 1342054482 /nfs/dbraw/zinc/05/44/82/1342054482.db2.gz ZSVBUJZCFIPUKL-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c(C)c1 ZINC001374547991 1342054483 /nfs/dbraw/zinc/05/44/83/1342054483.db2.gz ZSVBUJZCFIPUKL-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001374552134 1342060042 /nfs/dbraw/zinc/06/00/42/1342060042.db2.gz COJKUMIHXBGBPQ-QGZVFWFLSA-N 1 3 339.911 2.613 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001374552134 1342060048 /nfs/dbraw/zinc/06/00/48/1342060048.db2.gz COJKUMIHXBGBPQ-QGZVFWFLSA-N 1 3 339.911 2.613 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001374551644 1342060775 /nfs/dbraw/zinc/06/07/75/1342060775.db2.gz ZNNVJBGIVRSHGC-LJQANCHMSA-N 1 3 333.520 2.780 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@H](C(C)C)N(C)C ZINC001374720032 1342135791 /nfs/dbraw/zinc/13/57/91/1342135791.db2.gz CDGKDROPWVNOSC-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(CN(C)C)c2)c1 ZINC001374850581 1342206147 /nfs/dbraw/zinc/20/61/47/1342206147.db2.gz CCQDSCGMIJZZRJ-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001374926769 1342245202 /nfs/dbraw/zinc/24/52/02/1342245202.db2.gz SCTSBTCZRRCIDB-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001374962035 1342271282 /nfs/dbraw/zinc/27/12/82/1342271282.db2.gz CBAYNTKCFQHBCI-BBRMVZONSA-N 1 3 341.446 2.805 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001375412021 1342715493 /nfs/dbraw/zinc/71/54/93/1342715493.db2.gz PLANFESRIQBLPQ-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001375490161 1342796285 /nfs/dbraw/zinc/79/62/85/1342796285.db2.gz IKUFYESCVMWSCO-HKUYNNGSSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001375514628 1342822536 /nfs/dbraw/zinc/82/25/36/1342822536.db2.gz TZRHDEDKRBRLSN-INMHGKMJSA-N 1 3 349.906 2.666 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375520498 1342829024 /nfs/dbraw/zinc/82/90/24/1342829024.db2.gz YCXXWZNWKMYQNV-KJWYOANISA-N 1 3 335.467 2.711 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001375764464 1342986675 /nfs/dbraw/zinc/98/66/75/1342986675.db2.gz ZOKRGDRHVJPBHY-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CCCC2CCC2)CC1 ZINC001375781359 1343004200 /nfs/dbraw/zinc/00/42/00/1343004200.db2.gz SQKLHQSBJVTUGF-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001393722411 1357103669 /nfs/dbraw/zinc/10/36/69/1357103669.db2.gz QPYJXEMIAIMILL-KSZLIROESA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375874237 1343119764 /nfs/dbraw/zinc/11/97/64/1343119764.db2.gz GLQYUJGXGNIYBL-XLIONFOSSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375874239 1343120537 /nfs/dbraw/zinc/12/05/37/1343120537.db2.gz GLQYUJGXGNIYBL-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001375895098 1343142155 /nfs/dbraw/zinc/14/21/55/1343142155.db2.gz GPEIRBLAAAGZOS-AZUAARDMSA-N 1 3 331.504 2.663 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375962676 1343222112 /nfs/dbraw/zinc/22/21/12/1343222112.db2.gz SONVVKUMMOXIRM-LJQANCHMSA-N 1 3 334.508 2.915 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375962676 1343222120 /nfs/dbraw/zinc/22/21/20/1343222120.db2.gz SONVVKUMMOXIRM-LJQANCHMSA-N 1 3 334.508 2.915 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376054198 1343288834 /nfs/dbraw/zinc/28/88/34/1343288834.db2.gz BZMQOHPYFVBVAX-WMZOPIPTSA-N 1 3 329.488 2.670 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001376076777 1343309887 /nfs/dbraw/zinc/30/98/87/1343309887.db2.gz XRGXKXQVFFWRSG-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376153259 1343358660 /nfs/dbraw/zinc/35/86/60/1343358660.db2.gz DORICGHAAZIMLP-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001376160068 1343365469 /nfs/dbraw/zinc/36/54/69/1343365469.db2.gz XMDSGZAXWNSSFQ-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001376183160 1343384702 /nfs/dbraw/zinc/38/47/02/1343384702.db2.gz YIEMMBOZJLKUGS-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1)CC(C)(C)C ZINC001376277894 1343447409 /nfs/dbraw/zinc/44/74/09/1343447409.db2.gz ARCDNZIPOMFPSF-DYLHUKMJSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1)CC(C)(C)C ZINC001376277894 1343447412 /nfs/dbraw/zinc/44/74/12/1343447412.db2.gz ARCDNZIPOMFPSF-DYLHUKMJSA-N 1 3 343.943 2.887 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001376293607 1343462500 /nfs/dbraw/zinc/46/25/00/1343462500.db2.gz NVCCIJWJKIYYKN-KRWDZBQOSA-N 1 3 349.494 2.838 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001376293607 1343462502 /nfs/dbraw/zinc/46/25/02/1343462502.db2.gz NVCCIJWJKIYYKN-KRWDZBQOSA-N 1 3 349.494 2.838 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)CCC1 ZINC001376369372 1343521153 /nfs/dbraw/zinc/52/11/53/1343521153.db2.gz XTWPCEWEIKUGLR-LNLFQRSKSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001376396475 1343551622 /nfs/dbraw/zinc/55/16/22/1343551622.db2.gz KEMYOAGNTOSFMM-ULQDDVLXSA-N 1 3 337.895 2.725 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001376400858 1343555722 /nfs/dbraw/zinc/55/57/22/1343555722.db2.gz KVFHFLPRYCNQCD-LALPHHSUSA-N 1 3 343.924 2.725 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001376542969 1343666519 /nfs/dbraw/zinc/66/65/19/1343666519.db2.gz RFHLNSTVDDRBOH-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001376542969 1343666520 /nfs/dbraw/zinc/66/65/20/1343666520.db2.gz RFHLNSTVDDRBOH-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376560952 1343677339 /nfs/dbraw/zinc/67/73/39/1343677339.db2.gz UDNMNGPJUTVSKC-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCC1)N(C)C ZINC001376745128 1343800468 /nfs/dbraw/zinc/80/04/68/1343800468.db2.gz GHMRVPFDAFIHHS-BEBFYNPSSA-N 1 3 343.515 2.915 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001376755233 1343809610 /nfs/dbraw/zinc/80/96/10/1343809610.db2.gz XKBGODKLDAZASR-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001376795056 1343844440 /nfs/dbraw/zinc/84/44/40/1343844440.db2.gz AUHPDXTZOIIFBK-INIZCTEOSA-N 1 3 345.531 2.748 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CCC1)N(C)C ZINC001376810400 1343861343 /nfs/dbraw/zinc/86/13/43/1343861343.db2.gz QRGBVAOYEXWGLZ-SFHVURJKSA-N 1 3 331.504 2.506 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001376851727 1343891998 /nfs/dbraw/zinc/89/19/98/1343891998.db2.gz VGWMJJJARPJXCU-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001376886147 1343921867 /nfs/dbraw/zinc/92/18/67/1343921867.db2.gz SPXZIBXVBLKTCR-OALUTQOASA-N 1 3 349.494 2.883 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001393786981 1357156517 /nfs/dbraw/zinc/15/65/17/1357156517.db2.gz LJWZAFGSVAKSFH-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001393786981 1357156519 /nfs/dbraw/zinc/15/65/19/1357156519.db2.gz LJWZAFGSVAKSFH-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001376911157 1343948790 /nfs/dbraw/zinc/94/87/90/1343948790.db2.gz KHGGPPQGJSXFNW-SFHVURJKSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001376918989 1343956346 /nfs/dbraw/zinc/95/63/46/1343956346.db2.gz PBIKYGGUBMTABO-JXFKEZNVSA-N 1 3 343.515 2.769 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001376944738 1343975955 /nfs/dbraw/zinc/97/59/55/1343975955.db2.gz HFKWJAWCAHVZTP-QGZVFWFLSA-N 1 3 339.911 2.961 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001376944738 1343975960 /nfs/dbraw/zinc/97/59/60/1343975960.db2.gz HFKWJAWCAHVZTP-QGZVFWFLSA-N 1 3 339.911 2.961 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC001376948214 1343978401 /nfs/dbraw/zinc/97/84/01/1343978401.db2.gz FLYJIEIZDYPPSN-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001377006323 1344052215 /nfs/dbraw/zinc/05/22/15/1344052215.db2.gz YMSBOPXYTXPEKM-INIZCTEOSA-N 1 3 347.494 2.932 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001377006323 1344052220 /nfs/dbraw/zinc/05/22/20/1344052220.db2.gz YMSBOPXYTXPEKM-INIZCTEOSA-N 1 3 347.494 2.932 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1F ZINC001377036564 1344082578 /nfs/dbraw/zinc/08/25/78/1344082578.db2.gz PAKGCPLLCPIJTE-OAHLLOKOSA-N 1 3 335.467 2.603 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001377613830 1344222490 /nfs/dbraw/zinc/22/24/90/1344222490.db2.gz VKOYOOZCYHGGQN-BILQUBDUSA-N 1 3 329.916 2.542 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001377654115 1344272986 /nfs/dbraw/zinc/27/29/86/1344272986.db2.gz JHWGHVTUEWBYMH-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001377654115 1344272991 /nfs/dbraw/zinc/27/29/91/1344272991.db2.gz JHWGHVTUEWBYMH-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)[C@H]3CCCN3C)C2)cc1F ZINC001377679381 1344310844 /nfs/dbraw/zinc/31/08/44/1344310844.db2.gz VBJVEEOIWVKMBF-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H]3CCCN3C)C2)cc1F ZINC001377679381 1344310849 /nfs/dbraw/zinc/31/08/49/1344310849.db2.gz VBJVEEOIWVKMBF-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001377709769 1344354172 /nfs/dbraw/zinc/35/41/72/1344354172.db2.gz SEUCLRMFAYCIGV-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001377709769 1344354176 /nfs/dbraw/zinc/35/41/76/1344354176.db2.gz SEUCLRMFAYCIGV-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO C[N@H+](CCC(=O)N[C@@H]1CCCN(CCCF)C1)C1CCCCC1 ZINC001377825566 1344482701 /nfs/dbraw/zinc/48/27/01/1344482701.db2.gz MPMVUZWKIJJUSU-MRXNPFEDSA-N 1 3 327.488 2.581 20 0 EFADHO C[N@@H+](CCC(=O)N[C@@H]1CCCN(CCCF)C1)C1CCCCC1 ZINC001377825566 1344482705 /nfs/dbraw/zinc/48/27/05/1344482705.db2.gz MPMVUZWKIJJUSU-MRXNPFEDSA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378015887 1344666620 /nfs/dbraw/zinc/66/66/20/1344666620.db2.gz PCUWLAXIVBJIEV-QFBILLFUSA-N 1 3 331.504 2.690 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378015884 1344666951 /nfs/dbraw/zinc/66/69/51/1344666951.db2.gz PCUWLAXIVBJIEV-LPHOPBHVSA-N 1 3 331.504 2.690 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC(C)(C)C)CC1 ZINC001378040068 1344691775 /nfs/dbraw/zinc/69/17/75/1344691775.db2.gz PWFPIQBPTRNNQR-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001378067833 1344722370 /nfs/dbraw/zinc/72/23/70/1344722370.db2.gz ZNTFPMCVANEYEM-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001378067833 1344722371 /nfs/dbraw/zinc/72/23/71/1344722371.db2.gz ZNTFPMCVANEYEM-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378076814 1344731531 /nfs/dbraw/zinc/73/15/31/1344731531.db2.gz DZIIEUICTRQQGB-PKOBYXMFSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378076814 1344731532 /nfs/dbraw/zinc/73/15/32/1344731532.db2.gz DZIIEUICTRQQGB-PKOBYXMFSA-N 1 3 331.504 2.580 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001378130020 1344792420 /nfs/dbraw/zinc/79/24/20/1344792420.db2.gz MUYUAULZLLEKRL-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001378130020 1344792424 /nfs/dbraw/zinc/79/24/24/1344792424.db2.gz MUYUAULZLLEKRL-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001378197608 1344874763 /nfs/dbraw/zinc/87/47/63/1344874763.db2.gz YAWLPNKOINIHHE-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001378197608 1344874769 /nfs/dbraw/zinc/87/47/69/1344874769.db2.gz YAWLPNKOINIHHE-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378201826 1344881638 /nfs/dbraw/zinc/88/16/38/1344881638.db2.gz RIIKMEXCGSGUAI-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC/C=C\c1ccccc1 ZINC001378207245 1344889967 /nfs/dbraw/zinc/88/99/67/1344889967.db2.gz VHYKSNHKXPNHGG-UBAGTECSSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC/C=C\c1ccccc1 ZINC001378207245 1344889970 /nfs/dbraw/zinc/88/99/70/1344889970.db2.gz VHYKSNHKXPNHGG-UBAGTECSSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)c1 ZINC001378373393 1345021282 /nfs/dbraw/zinc/02/12/82/1345021282.db2.gz DQAWUVNOVWDIDF-LJQANCHMSA-N 1 3 342.487 2.924 20 0 EFADHO CC[N@H+](CCF)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001393859654 1357218681 /nfs/dbraw/zinc/21/86/81/1357218681.db2.gz LMHPZKKKMIUIQR-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CC[N@@H+](CCF)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001393859654 1357218684 /nfs/dbraw/zinc/21/86/84/1357218684.db2.gz LMHPZKKKMIUIQR-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC1CCC1 ZINC001378393162 1345038355 /nfs/dbraw/zinc/03/83/55/1345038355.db2.gz ULEHTQYOCGRVMD-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]CC1CCC1 ZINC001378393163 1345038377 /nfs/dbraw/zinc/03/83/77/1345038377.db2.gz ULEHTQYOCGRVMD-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2CC)C1 ZINC001378578098 1345174648 /nfs/dbraw/zinc/17/46/48/1345174648.db2.gz BBQBHUQWAXJWPJ-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001378611666 1345197401 /nfs/dbraw/zinc/19/74/01/1345197401.db2.gz JDVONFBTVBJMDS-BEFAXECRSA-N 1 3 333.520 2.732 20 0 EFADHO C[C@H](CNCc1cccc(Cl)c1F)N(C)C(=O)CCC[NH+](C)C ZINC001378812400 1345332516 /nfs/dbraw/zinc/33/25/16/1345332516.db2.gz OBUFLJNGYJCVNS-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@H](CNCc1ccc(Cl)s1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378811914 1345332877 /nfs/dbraw/zinc/33/28/77/1345332877.db2.gz MVFMASZSEIYWLJ-GFCCVEGCSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1F ZINC001378831738 1345347538 /nfs/dbraw/zinc/34/75/38/1345347538.db2.gz HQBGBYRGAHYYTC-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccc(Cl)cc1F ZINC001378831738 1345347539 /nfs/dbraw/zinc/34/75/39/1345347539.db2.gz HQBGBYRGAHYYTC-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO COc1ccc(C)cc1CNC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378840367 1345353207 /nfs/dbraw/zinc/35/32/07/1345353207.db2.gz FXYDOKHFQPWDQS-VQIMIIECSA-N 1 3 349.519 2.526 20 0 EFADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001378885373 1345394896 /nfs/dbraw/zinc/39/48/96/1345394896.db2.gz MFTCDOWEDJYYCH-ROUUACIJSA-N 1 3 325.541 2.883 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC1CCCC1 ZINC001393879154 1357242744 /nfs/dbraw/zinc/24/27/44/1357242744.db2.gz JQMFLJWWMMNBHH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001393879154 1357242748 /nfs/dbraw/zinc/24/27/48/1357242748.db2.gz JQMFLJWWMMNBHH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001378931512 1345437246 /nfs/dbraw/zinc/43/72/46/1345437246.db2.gz ZIKKTKCCXLIZGF-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)c1 ZINC001378965093 1345463854 /nfs/dbraw/zinc/46/38/54/1345463854.db2.gz SHVRDPWGERJINU-OALUTQOASA-N 1 3 333.520 2.812 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)c1 ZINC001378965042 1345464035 /nfs/dbraw/zinc/46/40/35/1345464035.db2.gz SHVRDPWGERJINU-MOPGFXCFSA-N 1 3 333.520 2.812 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152037 1345628615 /nfs/dbraw/zinc/62/86/15/1345628615.db2.gz PYKRPRBXJYZHIQ-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152037 1345628618 /nfs/dbraw/zinc/62/86/18/1345628618.db2.gz PYKRPRBXJYZHIQ-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152027 1345628638 /nfs/dbraw/zinc/62/86/38/1345628638.db2.gz PYKRPRBXJYZHIQ-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152027 1345628640 /nfs/dbraw/zinc/62/86/40/1345628640.db2.gz PYKRPRBXJYZHIQ-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001379381552 1345755751 /nfs/dbraw/zinc/75/57/51/1345755751.db2.gz IJTKYBZQNXGYBM-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001393892686 1357262606 /nfs/dbraw/zinc/26/26/06/1357262606.db2.gz CVBRSRQYFSTBGH-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CCC3CC3)C2)C1 ZINC001393892686 1357262609 /nfs/dbraw/zinc/26/26/09/1357262609.db2.gz CVBRSRQYFSTBGH-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001379416531 1345773125 /nfs/dbraw/zinc/77/31/25/1345773125.db2.gz HTWYXRLTLDKLSX-BXUZGUMPSA-N 1 3 331.913 2.582 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001379422726 1345777730 /nfs/dbraw/zinc/77/77/30/1345777730.db2.gz XMQFCYVMNVXFGQ-CABCVRRESA-N 1 3 337.483 2.959 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001379550884 1345850096 /nfs/dbraw/zinc/85/00/96/1345850096.db2.gz LUXSUCSUIOLHEK-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001379554324 1345854918 /nfs/dbraw/zinc/85/49/18/1345854918.db2.gz UWFCTGYHPAQQMJ-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175036 1373731828 /nfs/dbraw/zinc/73/18/28/1373731828.db2.gz NJSLTIGARAWRKZ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175036 1373731831 /nfs/dbraw/zinc/73/18/31/1373731831.db2.gz NJSLTIGARAWRKZ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001379685393 1347257338 /nfs/dbraw/zinc/25/73/38/1347257338.db2.gz QSBXZTMYVSIXRA-RDJZCZTQSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](CC)C1 ZINC001379935859 1347413292 /nfs/dbraw/zinc/41/32/92/1347413292.db2.gz TWXLVHHXZCPKSO-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001380078258 1347504737 /nfs/dbraw/zinc/50/47/37/1347504737.db2.gz DTMXOZNIVDDDHO-RHSMWYFYSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001380078258 1347504739 /nfs/dbraw/zinc/50/47/39/1347504739.db2.gz DTMXOZNIVDDDHO-RHSMWYFYSA-N 1 3 349.906 2.727 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)CC(C)(C)C ZINC001380079376 1347505659 /nfs/dbraw/zinc/50/56/59/1347505659.db2.gz MNDFUOXOSARQKN-INIZCTEOSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC001380134694 1347527334 /nfs/dbraw/zinc/52/73/34/1347527334.db2.gz IUNALKOJTSXRHE-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001380156204 1347538705 /nfs/dbraw/zinc/53/87/05/1347538705.db2.gz GVHMMZDWZMJWOF-UHFFFAOYSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001380157275 1347539046 /nfs/dbraw/zinc/53/90/46/1347539046.db2.gz PZJRMMGNWVIPNJ-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001380175394 1347549476 /nfs/dbraw/zinc/54/94/76/1347549476.db2.gz CKCFWIFILDHOOB-ACBHZAAOSA-N 1 3 331.504 2.723 20 0 EFADHO Cc1cccc(C[NH+]2CCC(C)(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001380294073 1347573223 /nfs/dbraw/zinc/57/32/23/1347573223.db2.gz MCHWZACHGCMGDQ-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001380392748 1347643011 /nfs/dbraw/zinc/64/30/11/1347643011.db2.gz ALVPAVBTVLPRRL-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380660119 1347795916 /nfs/dbraw/zinc/79/59/16/1347795916.db2.gz GBSWDRDKPUMRQQ-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001380698271 1347820129 /nfs/dbraw/zinc/82/01/29/1347820129.db2.gz QKOXRGDVEWFVGQ-YTENZGMBSA-N 1 3 349.563 2.887 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)N(C)C ZINC001380698646 1347820464 /nfs/dbraw/zinc/82/04/64/1347820464.db2.gz UAXZCZAEKIVFHB-GUDVDZBRSA-N 1 3 337.552 2.885 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001380801895 1347888254 /nfs/dbraw/zinc/88/82/54/1347888254.db2.gz BCECYEKVDGSJHB-IEZWGBDMSA-N 1 3 349.494 2.931 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001380859556 1347919806 /nfs/dbraw/zinc/91/98/06/1347919806.db2.gz IYGQLVRQDIVZOU-XKGFZTIGSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001380859556 1347919807 /nfs/dbraw/zinc/91/98/07/1347919807.db2.gz IYGQLVRQDIVZOU-XKGFZTIGSA-N 1 3 339.911 2.774 20 0 EFADHO Cc1ccc(CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)cc1 ZINC001380860748 1347920427 /nfs/dbraw/zinc/92/04/27/1347920427.db2.gz MLTDPESEOIBAMO-UHFFFAOYSA-N 1 3 343.515 2.650 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NC/C=C/Cl)CCC2)CCCCC1 ZINC001380875715 1347928731 /nfs/dbraw/zinc/92/87/31/1347928731.db2.gz JYFFHSPROVCFAO-KPKJPENVSA-N 1 3 341.927 2.880 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)C3(N(C)C)CCC3)cc2C1 ZINC001381068232 1348055010 /nfs/dbraw/zinc/05/50/10/1348055010.db2.gz MZANCGQYSFKLED-UHFFFAOYSA-N 1 3 329.488 2.759 20 0 EFADHO CC(C)C[N@H+]1Cc2ccc(CNC(=O)C3(N(C)C)CCC3)cc2C1 ZINC001381068232 1348055014 /nfs/dbraw/zinc/05/50/14/1348055014.db2.gz MZANCGQYSFKLED-UHFFFAOYSA-N 1 3 329.488 2.759 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC001381123080 1348091696 /nfs/dbraw/zinc/09/16/96/1348091696.db2.gz KTLORSUPHHNRRC-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCC(F)(F)F ZINC001381167330 1348116267 /nfs/dbraw/zinc/11/62/67/1348116267.db2.gz VWPPIAITUQTTBR-LSDHHAIUSA-N 1 3 349.441 2.784 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2cccs2)[C@@H](C)C1 ZINC001381174604 1348121910 /nfs/dbraw/zinc/12/19/10/1348121910.db2.gz PUHIUWMPBZHERH-JKSUJKDBSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)[C@@H](C)C1 ZINC001381174604 1348121912 /nfs/dbraw/zinc/12/19/12/1348121912.db2.gz PUHIUWMPBZHERH-JKSUJKDBSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H](C)C1 ZINC001381174600 1348121950 /nfs/dbraw/zinc/12/19/50/1348121950.db2.gz PUHIUWMPBZHERH-HOTGVXAUSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H](C)C1 ZINC001381174600 1348121952 /nfs/dbraw/zinc/12/19/52/1348121952.db2.gz PUHIUWMPBZHERH-HOTGVXAUSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2 ZINC001381243691 1348161818 /nfs/dbraw/zinc/16/18/18/1348161818.db2.gz VTBULWSQFATKSX-WTKPLQERSA-N 1 3 341.927 2.785 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCC2CC2)CCC1 ZINC001381278149 1348181602 /nfs/dbraw/zinc/18/16/02/1348181602.db2.gz YYJKCCUCTXCWBS-RTBURBONSA-N 1 3 341.499 2.643 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001381296432 1348195178 /nfs/dbraw/zinc/19/51/78/1348195178.db2.gz XUYBBKYPYIPUFD-HKUYNNGSSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001381296432 1348195181 /nfs/dbraw/zinc/19/51/81/1348195181.db2.gz XUYBBKYPYIPUFD-HKUYNNGSSA-N 1 3 349.494 2.631 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCC2CCC2)CCC1 ZINC001381300112 1348198513 /nfs/dbraw/zinc/19/85/13/1348198513.db2.gz VADGAQZGGPHQDQ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCC2CCC2)CCC1 ZINC001381300112 1348198515 /nfs/dbraw/zinc/19/85/15/1348198515.db2.gz VADGAQZGGPHQDQ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001381313088 1348205663 /nfs/dbraw/zinc/20/56/63/1348205663.db2.gz LRIRTDMRDBXKTM-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001381313088 1348205666 /nfs/dbraw/zinc/20/56/66/1348205666.db2.gz LRIRTDMRDBXKTM-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381540750 1348342404 /nfs/dbraw/zinc/34/24/04/1348342404.db2.gz ZUGBYYVRDVQXDC-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381540750 1348342408 /nfs/dbraw/zinc/34/24/08/1348342408.db2.gz ZUGBYYVRDVQXDC-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381628447 1348415409 /nfs/dbraw/zinc/41/54/09/1348415409.db2.gz OJWUVGHOKPXJBF-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381628447 1348415411 /nfs/dbraw/zinc/41/54/11/1348415411.db2.gz OJWUVGHOKPXJBF-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001381635113 1348421560 /nfs/dbraw/zinc/42/15/60/1348421560.db2.gz YCKOHYJXRJOQRE-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001381635113 1348421564 /nfs/dbraw/zinc/42/15/64/1348421564.db2.gz YCKOHYJXRJOQRE-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001381801116 1348535088 /nfs/dbraw/zinc/53/50/88/1348535088.db2.gz CLZLXDTZBPSGAV-IAGOWNOFSA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001381801116 1348535093 /nfs/dbraw/zinc/53/50/93/1348535093.db2.gz CLZLXDTZBPSGAV-IAGOWNOFSA-N 1 3 331.504 2.916 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001381806528 1348539275 /nfs/dbraw/zinc/53/92/75/1348539275.db2.gz GXAVQKCBDPQODX-IRXDYDNUSA-N 1 3 331.504 2.834 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001381806528 1348539277 /nfs/dbraw/zinc/53/92/77/1348539277.db2.gz GXAVQKCBDPQODX-IRXDYDNUSA-N 1 3 331.504 2.834 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C\c2ccccc2)CC1 ZINC001381977420 1348634340 /nfs/dbraw/zinc/63/43/40/1348634340.db2.gz YMDZYRNIUQGWEH-GFWYJJLOSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC001381977420 1348634345 /nfs/dbraw/zinc/63/43/45/1348634345.db2.gz YMDZYRNIUQGWEH-GFWYJJLOSA-N 1 3 341.499 2.717 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001382094671 1348715087 /nfs/dbraw/zinc/71/50/87/1348715087.db2.gz GDVIJVWQHPMDBG-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001382163775 1348786456 /nfs/dbraw/zinc/78/64/56/1348786456.db2.gz WYBJCSZUTQGBSD-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@H]1C ZINC001382301279 1348855834 /nfs/dbraw/zinc/85/58/34/1348855834.db2.gz FNPIDYBBGQEKQZ-OCCSQVGLSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2sccc2Cl)[C@H]1C ZINC001382301279 1348855832 /nfs/dbraw/zinc/85/58/32/1348855832.db2.gz FNPIDYBBGQEKQZ-OCCSQVGLSA-N 1 3 343.924 2.822 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001394098672 1357467342 /nfs/dbraw/zinc/46/73/42/1357467342.db2.gz ARVONBNMHVDKSN-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001394101967 1357473531 /nfs/dbraw/zinc/47/35/31/1357473531.db2.gz JYACMXTYFKSDKD-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001394126315 1357503074 /nfs/dbraw/zinc/50/30/74/1357503074.db2.gz NYALEMLNGDTSHP-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001394126315 1357503076 /nfs/dbraw/zinc/50/30/76/1357503076.db2.gz NYALEMLNGDTSHP-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001388651999 1352893082 /nfs/dbraw/zinc/89/30/82/1352893082.db2.gz GZABIATWJZQDFC-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001388651999 1352893086 /nfs/dbraw/zinc/89/30/86/1352893086.db2.gz GZABIATWJZQDFC-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001388696580 1352928848 /nfs/dbraw/zinc/92/88/48/1352928848.db2.gz DKAMXMXDAAQJOC-OKZBNKHCSA-N 1 3 331.504 2.882 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001388729591 1352956960 /nfs/dbraw/zinc/95/69/60/1352956960.db2.gz YCSVZAWYMBZYIL-UAPYVXQJSA-N 1 3 345.531 2.957 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001389465082 1353409156 /nfs/dbraw/zinc/40/91/56/1353409156.db2.gz WWTSFVDVYJTCHV-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001389465082 1353409160 /nfs/dbraw/zinc/40/91/60/1353409160.db2.gz WWTSFVDVYJTCHV-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001389465071 1353409417 /nfs/dbraw/zinc/40/94/17/1353409417.db2.gz WWTSFVDVYJTCHV-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001389465071 1353409420 /nfs/dbraw/zinc/40/94/20/1353409420.db2.gz WWTSFVDVYJTCHV-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001389684492 1353553606 /nfs/dbraw/zinc/55/36/06/1353553606.db2.gz FSKMIPADBPQWJS-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1Cl)C1CC1)N(C)C ZINC001389699238 1353564136 /nfs/dbraw/zinc/56/41/36/1353564136.db2.gz UQYQXXBEKRFQCK-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001389866118 1353656139 /nfs/dbraw/zinc/65/61/39/1353656139.db2.gz ZXFLBXKINMVLBY-ULQDDVLXSA-N 1 3 337.895 2.663 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001389894851 1353673660 /nfs/dbraw/zinc/67/36/60/1353673660.db2.gz GFYGGQQZHBDUPU-XHSVMWQWSA-N 1 3 349.906 2.904 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001390048084 1353765913 /nfs/dbraw/zinc/76/59/13/1353765913.db2.gz XBPULSNXROKHOQ-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001390048084 1353765915 /nfs/dbraw/zinc/76/59/15/1353765915.db2.gz XBPULSNXROKHOQ-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2ccccc2F)C1)[NH+](C)C ZINC001390061834 1353776432 /nfs/dbraw/zinc/77/64/32/1353776432.db2.gz IWWKCFTVAHLRHH-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001390160908 1353876428 /nfs/dbraw/zinc/87/64/28/1353876428.db2.gz LVGMTGJVPIQGGE-PDTSHOSPSA-N 1 3 329.916 2.688 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001390160908 1353876435 /nfs/dbraw/zinc/87/64/35/1353876435.db2.gz LVGMTGJVPIQGGE-PDTSHOSPSA-N 1 3 329.916 2.688 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001390405757 1354067137 /nfs/dbraw/zinc/06/71/37/1354067137.db2.gz RLOLJNUNFZGEKG-GUYCJALGSA-N 1 3 349.906 2.906 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001390407382 1354068574 /nfs/dbraw/zinc/06/85/74/1354068574.db2.gz UEOHVHXLKZYXEM-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001390407379 1354068865 /nfs/dbraw/zinc/06/88/65/1354068865.db2.gz UEOHVHXLKZYXEM-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001390465042 1354100416 /nfs/dbraw/zinc/10/04/16/1354100416.db2.gz DYHGVDGTSATJFV-VQIMIIECSA-N 1 3 333.520 2.991 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001390472718 1354107324 /nfs/dbraw/zinc/10/73/24/1354107324.db2.gz BZYNGGVEEWEWOV-HNNXBMFYSA-N 1 3 337.483 2.706 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001390602417 1354198030 /nfs/dbraw/zinc/19/80/30/1354198030.db2.gz FCOGCQUHALTNKC-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCc3ccccc3)C2)CCC1 ZINC001390603743 1354199349 /nfs/dbraw/zinc/19/93/49/1354199349.db2.gz AJXOWRGOSZCHTJ-MOPGFXCFSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001390666453 1354260008 /nfs/dbraw/zinc/26/00/08/1354260008.db2.gz SMODKSSMQYLMEH-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)CCNC(=O)Cc2nc[nH]c2C)c1 ZINC001390716247 1354308018 /nfs/dbraw/zinc/30/80/18/1354308018.db2.gz FDUASENGSMFUTG-CQSZACIVSA-N 1 3 328.460 2.508 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@@H]2CCCc3ccccc32)CCC1 ZINC001390766836 1354354350 /nfs/dbraw/zinc/35/43/50/1354354350.db2.gz WWURKTWMHRPJFU-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@@H]2CCCc3ccccc32)CCC1 ZINC001390766836 1354354355 /nfs/dbraw/zinc/35/43/55/1354354355.db2.gz WWURKTWMHRPJFU-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO CC(C)Cc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001390797488 1354385268 /nfs/dbraw/zinc/38/52/68/1354385268.db2.gz NERNTUZEEFWUCB-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCN2C)cc1 ZINC001390797488 1354385272 /nfs/dbraw/zinc/38/52/72/1354385272.db2.gz NERNTUZEEFWUCB-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001390810007 1354396859 /nfs/dbraw/zinc/39/68/59/1354396859.db2.gz LNRGOFRMBIWDRQ-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848613 1354431581 /nfs/dbraw/zinc/43/15/81/1354431581.db2.gz XCUQIJPDELJPON-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848613 1354431584 /nfs/dbraw/zinc/43/15/84/1354431584.db2.gz XCUQIJPDELJPON-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccc(CF)cc1 ZINC001390859861 1354441849 /nfs/dbraw/zinc/44/18/49/1354441849.db2.gz VEPKRFPOKGMJQX-UHFFFAOYSA-N 1 3 335.467 2.580 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCc1ccccc1C ZINC001390861452 1354444034 /nfs/dbraw/zinc/44/40/34/1354444034.db2.gz GVVGAPDOVACYDH-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1ccccc1C ZINC001390861452 1354444036 /nfs/dbraw/zinc/44/40/36/1354444036.db2.gz GVVGAPDOVACYDH-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001390862274 1354444570 /nfs/dbraw/zinc/44/45/70/1354444570.db2.gz IJLYTXOZGBOJDV-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001390862274 1354444571 /nfs/dbraw/zinc/44/45/71/1354444571.db2.gz IJLYTXOZGBOJDV-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001390864582 1354447014 /nfs/dbraw/zinc/44/70/14/1354447014.db2.gz PCKSBHZUCSKCPS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001390864582 1354447020 /nfs/dbraw/zinc/44/70/20/1354447020.db2.gz PCKSBHZUCSKCPS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1cccc(Cl)c1 ZINC001390904099 1354498544 /nfs/dbraw/zinc/49/85/44/1354498544.db2.gz DPOBWAWTBBVKOO-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1cccc(Cl)c1 ZINC001390904099 1354498547 /nfs/dbraw/zinc/49/85/47/1354498547.db2.gz DPOBWAWTBBVKOO-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(F)c1 ZINC001390912451 1354511163 /nfs/dbraw/zinc/51/11/63/1354511163.db2.gz YWIHBQMEHGSXFK-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(F)c1 ZINC001390912451 1354511170 /nfs/dbraw/zinc/51/11/70/1354511170.db2.gz YWIHBQMEHGSXFK-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001391098037 1354790250 /nfs/dbraw/zinc/79/02/50/1354790250.db2.gz BUGXHRKGLGHXBN-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001391098037 1354790255 /nfs/dbraw/zinc/79/02/55/1354790255.db2.gz BUGXHRKGLGHXBN-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097669 1354790539 /nfs/dbraw/zinc/79/05/39/1354790539.db2.gz NSDOMNIWJJNWMA-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097669 1354790542 /nfs/dbraw/zinc/79/05/42/1354790542.db2.gz NSDOMNIWJJNWMA-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001391103382 1354798732 /nfs/dbraw/zinc/79/87/32/1354798732.db2.gz ZGKJPXCJAWNEGN-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001391103382 1354798736 /nfs/dbraw/zinc/79/87/36/1354798736.db2.gz ZGKJPXCJAWNEGN-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391109026 1354806807 /nfs/dbraw/zinc/80/68/07/1354806807.db2.gz IVIJURWYISEAEG-VQIMIIECSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391109026 1354806809 /nfs/dbraw/zinc/80/68/09/1354806809.db2.gz IVIJURWYISEAEG-VQIMIIECSA-N 1 3 349.494 2.658 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC001391111140 1354809576 /nfs/dbraw/zinc/80/95/76/1354809576.db2.gz LTCYCSYQEPCOPQ-KRWDZBQOSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001391111140 1354809578 /nfs/dbraw/zinc/80/95/78/1354809578.db2.gz LTCYCSYQEPCOPQ-KRWDZBQOSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCc2c1cccc2F)N(C)C ZINC001391201444 1354929901 /nfs/dbraw/zinc/92/99/01/1354929901.db2.gz RLRVYKNEKZAZOT-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCc2c1cccc2F)N(C)C ZINC001391201444 1354929905 /nfs/dbraw/zinc/92/99/05/1354929905.db2.gz RLRVYKNEKZAZOT-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001391227000 1354948749 /nfs/dbraw/zinc/94/87/49/1354948749.db2.gz PYOBFLRFOIIRLD-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001391227000 1354948752 /nfs/dbraw/zinc/94/87/52/1354948752.db2.gz PYOBFLRFOIIRLD-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001391294254 1355033396 /nfs/dbraw/zinc/03/33/96/1355033396.db2.gz DNGXOWAXARUHOM-OALUTQOASA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001391294254 1355033400 /nfs/dbraw/zinc/03/34/00/1355033400.db2.gz DNGXOWAXARUHOM-OALUTQOASA-N 1 3 331.504 2.601 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001391340533 1355096634 /nfs/dbraw/zinc/09/66/34/1355096634.db2.gz VAISXDYKNUVKAI-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001391340533 1355096638 /nfs/dbraw/zinc/09/66/38/1355096638.db2.gz VAISXDYKNUVKAI-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CN(CCF)CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001391367523 1355135503 /nfs/dbraw/zinc/13/55/03/1355135503.db2.gz XRRKTYGCIRSGTF-UHFFFAOYSA-N 1 3 349.494 2.544 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001391381688 1355151419 /nfs/dbraw/zinc/15/14/19/1355151419.db2.gz DDVNPVXAKHZXBV-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001391497639 1355248000 /nfs/dbraw/zinc/24/80/00/1355248000.db2.gz PVQCJHQQNZDBKF-UHFFFAOYSA-N 1 3 343.515 2.700 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001391502070 1355252191 /nfs/dbraw/zinc/25/21/91/1355252191.db2.gz QLSNOPLVMWGGHB-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001391502068 1355252442 /nfs/dbraw/zinc/25/24/42/1355252442.db2.gz QLSNOPLVMWGGHB-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001391565858 1355310697 /nfs/dbraw/zinc/31/06/97/1355310697.db2.gz XMPCEZFCVZEERH-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001391565858 1355310702 /nfs/dbraw/zinc/31/07/02/1355310702.db2.gz XMPCEZFCVZEERH-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391619842 1355362900 /nfs/dbraw/zinc/36/29/00/1355362900.db2.gz POWGEHNWNCAVMB-QUCCMNQESA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391619842 1355362906 /nfs/dbraw/zinc/36/29/06/1355362906.db2.gz POWGEHNWNCAVMB-QUCCMNQESA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1c(C)cccc1C ZINC001391693479 1355440164 /nfs/dbraw/zinc/44/01/64/1355440164.db2.gz ICYXOFFSAKAKPZ-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001391696372 1355442334 /nfs/dbraw/zinc/44/23/34/1355442334.db2.gz PNDFFCTUEUJNIF-QFBILLFUSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCC1)N(C)C ZINC001391775316 1355519337 /nfs/dbraw/zinc/51/93/37/1355519337.db2.gz CEMGDCOLVSDVAK-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C\Cl)CC2)CC1 ZINC001391826654 1355570096 /nfs/dbraw/zinc/57/00/96/1355570096.db2.gz MUAGVPWEKDBLGF-VTHZWRTPSA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC001391834163 1355576797 /nfs/dbraw/zinc/57/67/97/1355576797.db2.gz TVKYLCZCWRYJJW-QAQDUYKDSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001391955945 1355678885 /nfs/dbraw/zinc/67/88/85/1355678885.db2.gz YNUPOSLKBOUQJA-RDTXWAMCSA-N 1 3 337.483 2.562 20 0 EFADHO Cc1cccc(CN2CC3(C2)CCN(C(=O)CCC[NH+](C)C)CC3)c1 ZINC001392025356 1355723521 /nfs/dbraw/zinc/72/35/21/1355723521.db2.gz FQQCYJGWCJDZIW-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392069623 1355747499 /nfs/dbraw/zinc/74/74/99/1355747499.db2.gz DGAXNBFEPDUMCV-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001392069624 1355748013 /nfs/dbraw/zinc/74/80/13/1355748013.db2.gz DHHNRBDXJNUVSW-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1 ZINC001392076673 1355751592 /nfs/dbraw/zinc/75/15/92/1355751592.db2.gz VFBOXLGHZRXWQS-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001392241985 1355897867 /nfs/dbraw/zinc/89/78/67/1355897867.db2.gz FNCRTVXZLJXRGE-GXTWGEPZSA-N 1 3 338.323 2.622 20 0 EFADHO CN(CC[N@H+](C)Cc1cccc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001392267356 1355923140 /nfs/dbraw/zinc/92/31/40/1355923140.db2.gz ZHZFYNIMQJDKMM-FQEVSTJZSA-N 1 3 339.483 2.824 20 0 EFADHO CN(CC[N@@H+](C)Cc1cccc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001392267356 1355923143 /nfs/dbraw/zinc/92/31/43/1355923143.db2.gz ZHZFYNIMQJDKMM-FQEVSTJZSA-N 1 3 339.483 2.824 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001392278691 1355934433 /nfs/dbraw/zinc/93/44/33/1355934433.db2.gz IUYDFXFOMPVYHW-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001392278691 1355934437 /nfs/dbraw/zinc/93/44/37/1355934437.db2.gz IUYDFXFOMPVYHW-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001392291867 1355947826 /nfs/dbraw/zinc/94/78/26/1355947826.db2.gz ZOPAROUYAQCSAU-QZTJIDSGSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001392291867 1355947833 /nfs/dbraw/zinc/94/78/33/1355947833.db2.gz ZOPAROUYAQCSAU-QZTJIDSGSA-N 1 3 335.467 2.543 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC(C)C ZINC001392334947 1356001920 /nfs/dbraw/zinc/00/19/20/1356001920.db2.gz WJODMSKNHFMYBH-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](C)CC(C)C ZINC001392334947 1356001923 /nfs/dbraw/zinc/00/19/23/1356001923.db2.gz WJODMSKNHFMYBH-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC(C)C ZINC001392334953 1356002233 /nfs/dbraw/zinc/00/22/33/1356002233.db2.gz WJODMSKNHFMYBH-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H](C)CC(C)C ZINC001392334953 1356002240 /nfs/dbraw/zinc/00/22/40/1356002240.db2.gz WJODMSKNHFMYBH-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001392339296 1356006600 /nfs/dbraw/zinc/00/66/00/1356006600.db2.gz MNFRIKPOQFPFOL-IEBWSBKVSA-N 1 3 329.488 2.545 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001392339305 1356006913 /nfs/dbraw/zinc/00/69/13/1356006913.db2.gz MNFRIKPOQFPFOL-PKOBYXMFSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001392439048 1356038758 /nfs/dbraw/zinc/03/87/58/1356038758.db2.gz IQRRDWQMAVYSDE-MSOLQXFVSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cs1 ZINC001392511206 1356087051 /nfs/dbraw/zinc/08/70/51/1356087051.db2.gz MDZVVQADWRBZOX-CYBMUJFWSA-N 1 3 325.522 2.629 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)NC(=O)CN(C)C1CCC1 ZINC001392569441 1356127666 /nfs/dbraw/zinc/12/76/66/1356127666.db2.gz VHVNSXCVTBVDQG-SCLBCKFNSA-N 1 3 349.906 2.906 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392659017 1356205554 /nfs/dbraw/zinc/20/55/54/1356205554.db2.gz ICTYQFWHKXHULO-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cccc(CCC[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392659017 1356205556 /nfs/dbraw/zinc/20/55/56/1356205556.db2.gz ICTYQFWHKXHULO-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO COc1cccc(CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1C ZINC001392723526 1356279591 /nfs/dbraw/zinc/27/95/91/1356279591.db2.gz NRWWJDTUNUFUIK-HNAYVOBHSA-N 1 3 349.519 2.526 20 0 EFADHO COc1cccc(CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1C ZINC001392723530 1356279644 /nfs/dbraw/zinc/27/96/44/1356279644.db2.gz NRWWJDTUNUFUIK-KXBFYZLASA-N 1 3 349.519 2.526 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001392766794 1356310710 /nfs/dbraw/zinc/31/07/10/1356310710.db2.gz RZMIOWOHJLMTMC-AUUYWEPGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001392775614 1356316654 /nfs/dbraw/zinc/31/66/54/1356316654.db2.gz OSRPSMJMGPHEHR-PMACEKPBSA-N 1 3 345.531 2.874 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)CC(C)(C)C ZINC001392796882 1356333894 /nfs/dbraw/zinc/33/38/94/1356333894.db2.gz YLQABWXKZHBEAK-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(CCN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001392990849 1356496150 /nfs/dbraw/zinc/49/61/50/1356496150.db2.gz IKMJQFFYPQKCDL-NGICGMGXSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(CCN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001392990849 1356496153 /nfs/dbraw/zinc/49/61/53/1356496153.db2.gz IKMJQFFYPQKCDL-NGICGMGXSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001393044473 1356533941 /nfs/dbraw/zinc/53/39/41/1356533941.db2.gz ZNYKTJTVFINYQW-PKOBYXMFSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001393049536 1356537757 /nfs/dbraw/zinc/53/77/57/1356537757.db2.gz AZEXBVMVZCSLLB-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CC(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)CC(C)(C)C ZINC001393179470 1356684986 /nfs/dbraw/zinc/68/49/86/1356684986.db2.gz GJBYSSJFOKBCQX-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)cc1 ZINC001393556446 1356946540 /nfs/dbraw/zinc/94/65/40/1356946540.db2.gz WIRNCDCWKZGPLX-LJQANCHMSA-N 1 3 345.531 2.752 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc3ccccc3o2)CCC1)N(C)C ZINC001393566506 1356954897 /nfs/dbraw/zinc/95/48/97/1356954897.db2.gz MTBASCOJBYYLCB-QGZVFWFLSA-N 1 3 343.471 2.902 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001393602412 1356989654 /nfs/dbraw/zinc/98/96/54/1356989654.db2.gz PFTHSNFGPVROLD-BHMZLHOFSA-N 1 3 341.927 2.976 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001393612637 1357002037 /nfs/dbraw/zinc/00/20/37/1357002037.db2.gz IGOOHWISCQDOBV-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1F ZINC001393612637 1357002041 /nfs/dbraw/zinc/00/20/41/1357002041.db2.gz IGOOHWISCQDOBV-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001393621916 1357011179 /nfs/dbraw/zinc/01/11/79/1357011179.db2.gz XQNDYRFDELKQOY-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001393621916 1357011183 /nfs/dbraw/zinc/01/11/83/1357011183.db2.gz XQNDYRFDELKQOY-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001394444049 1357823862 /nfs/dbraw/zinc/82/38/62/1357823862.db2.gz OJPVSYXYSRYKJM-RBUKOAKNSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001394497219 1357879125 /nfs/dbraw/zinc/87/91/25/1357879125.db2.gz NZISVKJQVDCRCT-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)s1 ZINC001436790619 1387299159 /nfs/dbraw/zinc/29/91/59/1387299159.db2.gz PBRCNWNIYJZRFS-SFHVURJKSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)cc1F ZINC001436794912 1387300800 /nfs/dbraw/zinc/30/08/00/1387300800.db2.gz YDNYDINYQNLHIV-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1C[C@H](NCc2cc3ccccc3o2)CN1C(=O)CCC[NH+](C)C ZINC001394666401 1357984686 /nfs/dbraw/zinc/98/46/86/1357984686.db2.gz GODINIJSYLHTSX-RDJZCZTQSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@@H]1C[C@H](NCc2cc3ccccc3o2)CN1C(=O)CCC[NH+](C)C ZINC001394666406 1357985024 /nfs/dbraw/zinc/98/50/24/1357985024.db2.gz GODINIJSYLHTSX-WBVHZDCISA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@H]1C ZINC001394684303 1358003397 /nfs/dbraw/zinc/00/33/97/1358003397.db2.gz ZCTYIQFCRLZSCW-NZVCTJPZSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001394701336 1358027696 /nfs/dbraw/zinc/02/76/96/1358027696.db2.gz IQLKVHKGHCQWNS-DOTOQJQBSA-N 1 3 349.544 2.915 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCc2ccccc2F)C1)N(C)C ZINC001394854051 1358159573 /nfs/dbraw/zinc/15/95/73/1358159573.db2.gz MUEKOYQBCSIQPL-TVPLGVNVSA-N 1 3 349.494 2.533 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001394859465 1358166327 /nfs/dbraw/zinc/16/63/27/1358166327.db2.gz FRNLLDPYRKCGIG-IVMQYODDSA-N 1 3 331.504 2.977 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001397056579 1359640527 /nfs/dbraw/zinc/64/05/27/1359640527.db2.gz QRDUDJZZOBWRLU-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001397072284 1359650406 /nfs/dbraw/zinc/65/04/06/1359650406.db2.gz AGDYCBANPGUYAS-YTQUADARSA-N 1 3 335.536 2.783 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001397075202 1359653615 /nfs/dbraw/zinc/65/36/15/1359653615.db2.gz FOFRNOQCEKVBDT-FTUNRGFVSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001397080642 1359658860 /nfs/dbraw/zinc/65/88/60/1359658860.db2.gz QTYHSJQZCMIRNT-VVWQDTPRSA-N 1 3 349.494 2.957 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001397090589 1359668458 /nfs/dbraw/zinc/66/84/58/1359668458.db2.gz AJOOWTGSVMCROT-OTWHNJEPSA-N 1 3 331.504 2.574 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001397095644 1359672946 /nfs/dbraw/zinc/67/29/46/1359672946.db2.gz HWKITCXLOYVIRC-RKVPGOIHSA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001397126559 1359690519 /nfs/dbraw/zinc/69/05/19/1359690519.db2.gz CIGCENRGURMTOE-QRTARXTBSA-N 1 3 337.895 2.665 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001397126640 1359691340 /nfs/dbraw/zinc/69/13/40/1359691340.db2.gz CJLLBAPKWQEDDF-BZUAXINKSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CCC[NH+](C)C)CCN(C/C=C\Cl)CC2 ZINC001397178870 1359728241 /nfs/dbraw/zinc/72/82/41/1359728241.db2.gz VACSARBWPAUNRG-GEZBDVBVSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001437143553 1387418475 /nfs/dbraw/zinc/41/84/75/1387418475.db2.gz HGPWNPJDLQATCZ-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437151959 1387425344 /nfs/dbraw/zinc/42/53/44/1387425344.db2.gz WUPKEIPBGNMOLD-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CC[NH+]1CCCCC1 ZINC001397563694 1359964551 /nfs/dbraw/zinc/96/45/51/1359964551.db2.gz BKUIATIZANRKBZ-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001397618778 1360007125 /nfs/dbraw/zinc/00/71/25/1360007125.db2.gz BXZQQLWFXSKTQN-KYJSFNMBSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001397619032 1360007937 /nfs/dbraw/zinc/00/79/37/1360007937.db2.gz QKIBLLXUTFSWPF-KYJSFNMBSA-N 1 3 340.471 2.815 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001397638668 1360020068 /nfs/dbraw/zinc/02/00/68/1360020068.db2.gz ZBEFHJAAZTYXFM-MAEOIBBWSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001397696860 1360057993 /nfs/dbraw/zinc/05/79/93/1360057993.db2.gz ZHCVMVQLHIURHK-FDARSICLSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001398190137 1360366403 /nfs/dbraw/zinc/36/64/03/1360366403.db2.gz OJWKERLKKUFFNR-MRXNPFEDSA-N 1 3 345.478 2.541 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001398203319 1360377051 /nfs/dbraw/zinc/37/70/51/1360377051.db2.gz JACWZZCMJOWZSM-QFBILLFUSA-N 1 3 349.494 2.733 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001398244539 1360412486 /nfs/dbraw/zinc/41/24/86/1360412486.db2.gz CFMOTSLZIXMJFW-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001398244539 1360412487 /nfs/dbraw/zinc/41/24/87/1360412487.db2.gz CFMOTSLZIXMJFW-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001398253466 1360421703 /nfs/dbraw/zinc/42/17/03/1360421703.db2.gz TZRMWYNOSRAALQ-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001398253466 1360421706 /nfs/dbraw/zinc/42/17/06/1360421706.db2.gz TZRMWYNOSRAALQ-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001398526693 1360625810 /nfs/dbraw/zinc/62/58/10/1360625810.db2.gz BURMBBHQEVGLOE-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001398540559 1360634997 /nfs/dbraw/zinc/63/49/97/1360634997.db2.gz PQBHVQNDZFWIRV-WKILWMFISA-N 1 3 335.879 2.561 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001398541894 1360635763 /nfs/dbraw/zinc/63/57/63/1360635763.db2.gz TYYURXYRDHTRFR-WKILWMFISA-N 1 3 335.517 2.586 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001398543893 1360637304 /nfs/dbraw/zinc/63/73/04/1360637304.db2.gz ZRZCLLYWFMYFJZ-ZHALLVOQSA-N 1 3 347.478 2.998 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001398573040 1360651554 /nfs/dbraw/zinc/65/15/54/1360651554.db2.gz ZHUVFCMSLQDUMX-VAMGGRTRSA-N 1 3 345.531 2.615 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001398666583 1360698457 /nfs/dbraw/zinc/69/84/57/1360698457.db2.gz BVYVMCUOIOZWAI-NZONOLPTSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001398666583 1360698463 /nfs/dbraw/zinc/69/84/63/1360698463.db2.gz BVYVMCUOIOZWAI-NZONOLPTSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001398666263 1360698511 /nfs/dbraw/zinc/69/85/11/1360698511.db2.gz BVYVMCUOIOZWAI-IHEKOVBBSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001398666263 1360698514 /nfs/dbraw/zinc/69/85/14/1360698514.db2.gz BVYVMCUOIOZWAI-IHEKOVBBSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCCF)N1CCCCC1 ZINC001398726838 1360745097 /nfs/dbraw/zinc/74/50/97/1360745097.db2.gz FXIWSZFONSVGLI-MRXNPFEDSA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCCF)N1CCCCC1 ZINC001398726838 1360745101 /nfs/dbraw/zinc/74/51/01/1360745101.db2.gz FXIWSZFONSVGLI-MRXNPFEDSA-N 1 3 327.488 2.581 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1)CC(C)(C)C ZINC001398840931 1360827275 /nfs/dbraw/zinc/82/72/75/1360827275.db2.gz NRZCLLDXCWYJGI-BJMVGYQFSA-N 1 3 329.916 2.734 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001398939127 1360882841 /nfs/dbraw/zinc/88/28/41/1360882841.db2.gz FLBYPYZSLIYUAZ-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001398951729 1360890509 /nfs/dbraw/zinc/89/05/09/1360890509.db2.gz PGESUYWTNQXRIP-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001399088836 1360984800 /nfs/dbraw/zinc/98/48/00/1360984800.db2.gz FSZADNULGNKBAD-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001399228167 1361085193 /nfs/dbraw/zinc/08/51/93/1361085193.db2.gz IRIQWNISSQWHBN-KBXCAEBGSA-N 1 3 349.906 2.860 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001399244242 1361094965 /nfs/dbraw/zinc/09/49/65/1361094965.db2.gz JPQGOQMGDLEUAS-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001399257780 1361104097 /nfs/dbraw/zinc/10/40/97/1361104097.db2.gz ZPNANDDPEXACAH-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001399280100 1361121529 /nfs/dbraw/zinc/12/15/29/1361121529.db2.gz JYNAQYJPWFNDEC-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001399280100 1361121531 /nfs/dbraw/zinc/12/15/31/1361121531.db2.gz JYNAQYJPWFNDEC-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001399336815 1361159603 /nfs/dbraw/zinc/15/96/03/1361159603.db2.gz KBBAVRLDDSCQFN-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001399478808 1361261427 /nfs/dbraw/zinc/26/14/27/1361261427.db2.gz AMSKZUDODNBQJF-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001399478808 1361261432 /nfs/dbraw/zinc/26/14/32/1361261432.db2.gz AMSKZUDODNBQJF-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(C(F)F)cc2)CC[N@@H+]1C ZINC001399483943 1361266779 /nfs/dbraw/zinc/26/67/79/1361266779.db2.gz MWUKSHWTOYFGSF-CZUORRHYSA-N 1 3 339.430 2.512 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(C(F)F)cc2)CC[N@H+]1C ZINC001399483943 1361266783 /nfs/dbraw/zinc/26/67/83/1361266783.db2.gz MWUKSHWTOYFGSF-CZUORRHYSA-N 1 3 339.430 2.512 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001399498002 1361279360 /nfs/dbraw/zinc/27/93/60/1361279360.db2.gz MBXKTZWTNCRILN-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001399498002 1361279366 /nfs/dbraw/zinc/27/93/66/1361279366.db2.gz MBXKTZWTNCRILN-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001399498000 1361279382 /nfs/dbraw/zinc/27/93/82/1361279382.db2.gz MBXKTZWTNCRILN-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001399498000 1361279386 /nfs/dbraw/zinc/27/93/86/1361279386.db2.gz MBXKTZWTNCRILN-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001399505224 1361286324 /nfs/dbraw/zinc/28/63/24/1361286324.db2.gz QCAMCGIXMAUITP-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001399505224 1361286327 /nfs/dbraw/zinc/28/63/27/1361286327.db2.gz QCAMCGIXMAUITP-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399568707 1361338083 /nfs/dbraw/zinc/33/80/83/1361338083.db2.gz IGSAAIWABNTXLG-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)Cc2ccc3ccccc3c2)C1 ZINC001399574781 1361343337 /nfs/dbraw/zinc/34/33/37/1361343337.db2.gz JIMMPZATWNSIQI-QGZVFWFLSA-N 1 3 339.483 2.730 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)Cc2ccc3ccccc3c2)C1 ZINC001399574781 1361343341 /nfs/dbraw/zinc/34/33/41/1361343341.db2.gz JIMMPZATWNSIQI-QGZVFWFLSA-N 1 3 339.483 2.730 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C2CCCC2)cc1 ZINC001399655924 1361408514 /nfs/dbraw/zinc/40/85/14/1361408514.db2.gz NZFZRWUMHFRNQO-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C2CCCC2)cc1 ZINC001399655924 1361408518 /nfs/dbraw/zinc/40/85/18/1361408518.db2.gz NZFZRWUMHFRNQO-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001437260006 1387513470 /nfs/dbraw/zinc/51/34/70/1387513470.db2.gz HAAPRCHQUMQMFM-JKSUJKDBSA-N 1 3 335.467 2.857 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccc(F)cc1 ZINC001399702728 1361439310 /nfs/dbraw/zinc/43/93/10/1361439310.db2.gz CHLPNMSCZHUYLT-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1ccc(F)cc1 ZINC001399702728 1361439319 /nfs/dbraw/zinc/43/93/19/1361439319.db2.gz CHLPNMSCZHUYLT-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001400011929 1361663968 /nfs/dbraw/zinc/66/39/68/1361663968.db2.gz YXVASOZUFPENDX-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO C[NH+](C)CCCC(=O)NCCN(C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001400022736 1361673418 /nfs/dbraw/zinc/67/34/18/1361673418.db2.gz LXBKCGYMCPGPQN-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400026309 1361676728 /nfs/dbraw/zinc/67/67/28/1361676728.db2.gz BBVQAFYNSUOTNT-FUHWJXTLSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400026309 1361676734 /nfs/dbraw/zinc/67/67/34/1361676734.db2.gz BBVQAFYNSUOTNT-FUHWJXTLSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001400030492 1361681479 /nfs/dbraw/zinc/68/14/79/1361681479.db2.gz ZQHQAGOISWHUOC-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001400030492 1361681483 /nfs/dbraw/zinc/68/14/83/1361681483.db2.gz ZQHQAGOISWHUOC-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001400066665 1361709517 /nfs/dbraw/zinc/70/95/17/1361709517.db2.gz IOVOOEPYRDQRLG-CJNGLKHVSA-N 1 3 325.884 2.789 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001400082318 1361721622 /nfs/dbraw/zinc/72/16/22/1361721622.db2.gz ISLAMIRCKSCFBT-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157013 1361793776 /nfs/dbraw/zinc/79/37/76/1361793776.db2.gz VJLYJVHOYQTVFW-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157013 1361793780 /nfs/dbraw/zinc/79/37/80/1361793780.db2.gz VJLYJVHOYQTVFW-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001400191748 1361833714 /nfs/dbraw/zinc/83/37/14/1361833714.db2.gz ZYISXIKADZQVHR-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001400191748 1361833715 /nfs/dbraw/zinc/83/37/15/1361833715.db2.gz ZYISXIKADZQVHR-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001400198066 1361837895 /nfs/dbraw/zinc/83/78/95/1361837895.db2.gz ISNSCJZHVMWMHJ-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001400198066 1361837898 /nfs/dbraw/zinc/83/78/98/1361837898.db2.gz ISNSCJZHVMWMHJ-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)C1 ZINC001400506547 1362002761 /nfs/dbraw/zinc/00/27/61/1362002761.db2.gz LAFLQLBUPWXKOW-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001400520831 1362010316 /nfs/dbraw/zinc/01/03/16/1362010316.db2.gz CRZMVIWMJMEZBX-MRXNPFEDSA-N 1 3 343.515 2.626 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001400645753 1362068199 /nfs/dbraw/zinc/06/81/99/1362068199.db2.gz YXSSXEFURPFDQC-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001400688174 1362095459 /nfs/dbraw/zinc/09/54/59/1362095459.db2.gz BZFHMAZDOHYSHZ-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001400736094 1362128803 /nfs/dbraw/zinc/12/88/03/1362128803.db2.gz GKXSMPQXFROWBQ-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001437330340 1387552187 /nfs/dbraw/zinc/55/21/87/1387552187.db2.gz LNTIIFIKJDTGRJ-MOPGFXCFSA-N 1 3 343.515 2.996 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001400862127 1362220034 /nfs/dbraw/zinc/22/00/34/1362220034.db2.gz SXYDUEZYAOGZDO-IAGOWNOFSA-N 1 3 339.911 2.911 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001401081687 1362425897 /nfs/dbraw/zinc/42/58/97/1362425897.db2.gz ZDURHQPKIFRZEQ-VTGFLYEISA-N 1 3 341.927 2.832 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001401133838 1362470484 /nfs/dbraw/zinc/47/04/84/1362470484.db2.gz GLUTVINOTBTLLV-IUODEOHRSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cc2ccccc2o1 ZINC001401133995 1362471638 /nfs/dbraw/zinc/47/16/38/1362471638.db2.gz VZOBBSMZWAUDQR-JKSUJKDBSA-N 1 3 343.471 2.617 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001401148041 1362484795 /nfs/dbraw/zinc/48/47/95/1362484795.db2.gz VOAYJGDDCOZFKM-RDTXWAMCSA-N 1 3 337.483 2.562 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001401148897 1362484971 /nfs/dbraw/zinc/48/49/71/1362484971.db2.gz YXRMFWPLKBRZTN-APWZRJJASA-N 1 3 333.520 2.732 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C(Cl)=C/Cl)CCCC1 ZINC001401181726 1362517382 /nfs/dbraw/zinc/51/73/82/1362517382.db2.gz GICNPUZYQFVHJB-QLKUMGTLSA-N 1 3 348.318 2.808 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240526 1362578652 /nfs/dbraw/zinc/57/86/52/1362578652.db2.gz HOBWRRMQNGBFAS-CABCVRRESA-N 1 3 340.471 2.639 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001401246063 1362585069 /nfs/dbraw/zinc/58/50/69/1362585069.db2.gz XOGXEJDHDIXAIL-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001401253519 1362592970 /nfs/dbraw/zinc/59/29/70/1362592970.db2.gz HETDJBYOODIWDV-GOSISDBHSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001401265916 1362606713 /nfs/dbraw/zinc/60/67/13/1362606713.db2.gz YJBBXHMUHLZQNP-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001401288567 1362635078 /nfs/dbraw/zinc/63/50/78/1362635078.db2.gz CPHNOKDQBCWJAE-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001401288495 1362635283 /nfs/dbraw/zinc/63/52/83/1362635283.db2.gz DLDWHJIIMJFGCX-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN1C ZINC001401358679 1362708756 /nfs/dbraw/zinc/70/87/56/1362708756.db2.gz KFWHQSPXGCIUFU-IBGZPJMESA-N 1 3 345.531 2.969 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CCCN1C ZINC001401358679 1362708766 /nfs/dbraw/zinc/70/87/66/1362708766.db2.gz KFWHQSPXGCIUFU-IBGZPJMESA-N 1 3 345.531 2.969 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401397572 1362752950 /nfs/dbraw/zinc/75/29/50/1362752950.db2.gz GZQMEWNZAMXUBB-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001437379578 1387594167 /nfs/dbraw/zinc/59/41/67/1387594167.db2.gz JGPDOTYMMZKKOZ-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001401600036 1362962326 /nfs/dbraw/zinc/96/23/26/1362962326.db2.gz JXALBDIPQDEGSB-OLZOCXBDSA-N 1 3 332.423 2.645 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001401600037 1362962372 /nfs/dbraw/zinc/96/23/72/1362962372.db2.gz JXALBDIPQDEGSB-QWHCGFSZSA-N 1 3 332.423 2.645 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001401688096 1363027113 /nfs/dbraw/zinc/02/71/13/1363027113.db2.gz PHQWLRGZNNXZLK-AHIWAGSCSA-N 1 3 341.446 2.706 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001401704206 1363037917 /nfs/dbraw/zinc/03/79/17/1363037917.db2.gz XOIFZYUVQXVKPJ-ZLIFDBKOSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1F ZINC001401749866 1363083489 /nfs/dbraw/zinc/08/34/89/1363083489.db2.gz HBGOXWQZBOMNEY-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1)[NH+](C)C ZINC001401780760 1363121331 /nfs/dbraw/zinc/12/13/31/1363121331.db2.gz LKTWNJBRZZVVFW-OWQTYREESA-N 1 3 331.504 2.723 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785089 1363126227 /nfs/dbraw/zinc/12/62/27/1363126227.db2.gz RDATUVABIQQDPD-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785089 1363126230 /nfs/dbraw/zinc/12/62/30/1363126230.db2.gz RDATUVABIQQDPD-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001401791937 1363136504 /nfs/dbraw/zinc/13/65/04/1363136504.db2.gz AAJKRCNZPDGVKY-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001401791937 1363136506 /nfs/dbraw/zinc/13/65/06/1363136506.db2.gz AAJKRCNZPDGVKY-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001401814959 1363164716 /nfs/dbraw/zinc/16/47/16/1363164716.db2.gz CDWFTASYEPGXJV-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001401815348 1363165600 /nfs/dbraw/zinc/16/56/00/1363165600.db2.gz DSXGDCZQGHRTBG-IEBWSBKVSA-N 1 3 349.494 2.932 20 0 EFADHO CC1CC(C[NH2+]C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001401874636 1363206323 /nfs/dbraw/zinc/20/63/23/1363206323.db2.gz QEOPWIBXDUVVKA-MKJPBZQASA-N 1 3 343.515 2.892 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)cs1 ZINC001401960475 1363276628 /nfs/dbraw/zinc/27/66/28/1363276628.db2.gz DJMOYDYYPYLRFY-UHFFFAOYSA-N 1 3 337.533 2.773 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCC(F)(F)CC2)CC1)N(C)C ZINC001401978228 1363294763 /nfs/dbraw/zinc/29/47/63/1363294763.db2.gz RMEUTJMWRPZMSK-HNNXBMFYSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001402032622 1363343994 /nfs/dbraw/zinc/34/39/94/1363343994.db2.gz NQDNTGUIAOBMIN-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)(C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001402104793 1363412245 /nfs/dbraw/zinc/41/22/45/1363412245.db2.gz RULZJOWOPXNEIF-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001402183085 1363489394 /nfs/dbraw/zinc/48/93/94/1363489394.db2.gz XQHGLIIUHRYUIU-OAQYLSRUSA-N 1 3 345.531 2.973 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001402188298 1363493950 /nfs/dbraw/zinc/49/39/50/1363493950.db2.gz NYPKBPFLNQYPNY-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001402196019 1363503296 /nfs/dbraw/zinc/50/32/96/1363503296.db2.gz NUDICQXWESLLQK-HXUWFJFHSA-N 1 3 331.504 2.846 20 0 EFADHO CN(CC(=O)NC[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)C1CCC1 ZINC001402311462 1363599076 /nfs/dbraw/zinc/59/90/76/1363599076.db2.gz KYWRNBBOIXDOLA-SFHVURJKSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001402367043 1363626872 /nfs/dbraw/zinc/62/68/72/1363626872.db2.gz CAHHRXAYVVJNHZ-WOJBJXKFSA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001402418058 1363677029 /nfs/dbraw/zinc/67/70/29/1363677029.db2.gz FKLSTGFENOWGKZ-KURKYZTESA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001402418058 1363677032 /nfs/dbraw/zinc/67/70/32/1363677032.db2.gz FKLSTGFENOWGKZ-KURKYZTESA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001402496080 1363739121 /nfs/dbraw/zinc/73/91/21/1363739121.db2.gz SULNSTTZDHTCGW-RWQQGDIJSA-N 1 3 347.478 2.636 20 0 EFADHO C[C@H](NCCF)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001402496128 1363740131 /nfs/dbraw/zinc/74/01/31/1363740131.db2.gz LEDNYXPVYODDRS-HNNXBMFYSA-N 1 3 335.467 2.655 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)C1 ZINC001402531994 1363765153 /nfs/dbraw/zinc/76/51/53/1363765153.db2.gz BYCALNGSRUCPIZ-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001402539301 1363771336 /nfs/dbraw/zinc/77/13/36/1363771336.db2.gz RWELUMZEQDZLTM-FHWLQOOXSA-N 1 3 331.504 2.572 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001402551782 1363782535 /nfs/dbraw/zinc/78/25/35/1363782535.db2.gz OUEHBKUTRPXQND-QAQDUYKDSA-N 1 3 349.906 2.953 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)CC(C)(C)C ZINC001402557863 1363786674 /nfs/dbraw/zinc/78/66/74/1363786674.db2.gz CPBQWRKJDBAYJM-AYHJJNSGSA-N 1 3 335.536 2.876 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)CC(C)(C)C ZINC001402557863 1363786680 /nfs/dbraw/zinc/78/66/80/1363786680.db2.gz CPBQWRKJDBAYJM-AYHJJNSGSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCC1)N1CCCCCC1 ZINC001402568849 1363797291 /nfs/dbraw/zinc/79/72/91/1363797291.db2.gz CZRDGBSIPYNJFG-JOZWUWCOSA-N 1 3 327.900 2.632 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCC1 ZINC001402590617 1363816716 /nfs/dbraw/zinc/81/67/16/1363816716.db2.gz OOAIUGRJVNPMNN-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001402622066 1363847420 /nfs/dbraw/zinc/84/74/20/1363847420.db2.gz SNGHVQGWOZKGBM-OAHLLOKOSA-N 1 3 349.441 2.786 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001402637564 1363868011 /nfs/dbraw/zinc/86/80/11/1363868011.db2.gz WMFZRGJSHQTCPE-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001402637564 1363868013 /nfs/dbraw/zinc/86/80/13/1363868013.db2.gz WMFZRGJSHQTCPE-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001402654547 1363894442 /nfs/dbraw/zinc/89/44/42/1363894442.db2.gz JIMYHTAVOAGWJT-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001402654547 1363894445 /nfs/dbraw/zinc/89/44/45/1363894445.db2.gz JIMYHTAVOAGWJT-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001402717530 1363963739 /nfs/dbraw/zinc/96/37/39/1363963739.db2.gz HUOMPLRQVNRCAN-VQTJNVASSA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001402717530 1363963742 /nfs/dbraw/zinc/96/37/42/1363963742.db2.gz HUOMPLRQVNRCAN-VQTJNVASSA-N 1 3 345.531 2.772 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@@H+](CC2CCC2)C3)C1 ZINC001402745821 1363991015 /nfs/dbraw/zinc/99/10/15/1363991015.db2.gz BQNYJILZYOXJDI-INIZCTEOSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@H+](CC2CCC2)C3)C1 ZINC001402745821 1363991019 /nfs/dbraw/zinc/99/10/19/1363991019.db2.gz BQNYJILZYOXJDI-INIZCTEOSA-N 1 3 341.499 2.760 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC001402779773 1364027577 /nfs/dbraw/zinc/02/75/77/1364027577.db2.gz GLLUKOBQBCBVHJ-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C)CC(C)(C)C ZINC001402801256 1364048750 /nfs/dbraw/zinc/04/87/50/1364048750.db2.gz UAEUNYHIBOVZMK-OAHLLOKOSA-N 1 3 329.504 2.541 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C)CC(C)(C)C ZINC001402801256 1364048754 /nfs/dbraw/zinc/04/87/54/1364048754.db2.gz UAEUNYHIBOVZMK-OAHLLOKOSA-N 1 3 329.504 2.541 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC001402828979 1364075524 /nfs/dbraw/zinc/07/55/24/1364075524.db2.gz PNBWYKGFTNMYEE-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001402901604 1364120262 /nfs/dbraw/zinc/12/02/62/1364120262.db2.gz VUYYWORJISCGGZ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001402914274 1364129242 /nfs/dbraw/zinc/12/92/42/1364129242.db2.gz XAOXODMEETXBCC-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001403087417 1364292263 /nfs/dbraw/zinc/29/22/63/1364292263.db2.gz DYHGVDGTSATJFV-APWZRJJASA-N 1 3 333.520 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403122686 1364335777 /nfs/dbraw/zinc/33/57/77/1364335777.db2.gz BGCBDIQGVFWFSS-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403122686 1364335782 /nfs/dbraw/zinc/33/57/82/1364335782.db2.gz BGCBDIQGVFWFSS-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001403166373 1364387198 /nfs/dbraw/zinc/38/71/98/1364387198.db2.gz KEEDHRDPBWXPPD-HNAYVOBHSA-N 1 3 345.487 2.956 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cccc(Cl)c1 ZINC001403186414 1364411704 /nfs/dbraw/zinc/41/17/04/1364411704.db2.gz ZMDLCRQSOCXYQU-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001403295378 1364510756 /nfs/dbraw/zinc/51/07/56/1364510756.db2.gz BYWDWJZRNLOIFL-HOTGVXAUSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001403295398 1364511218 /nfs/dbraw/zinc/51/12/18/1364511218.db2.gz BYWDWJZRNLOIFL-JKSUJKDBSA-N 1 3 329.488 2.668 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001403350134 1364561055 /nfs/dbraw/zinc/56/10/55/1364561055.db2.gz KMUOUEANBQAMTN-PXNSSMCTSA-N 1 3 345.531 2.889 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001403404690 1364609247 /nfs/dbraw/zinc/60/92/47/1364609247.db2.gz HGYREFRJOLPOMO-WFASDCNBSA-N 1 3 345.940 2.972 20 0 EFADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001403482597 1364689628 /nfs/dbraw/zinc/68/96/28/1364689628.db2.gz IUFBSPQBWRCSOV-UHFFFAOYSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001403482597 1364689631 /nfs/dbraw/zinc/68/96/31/1364689631.db2.gz IUFBSPQBWRCSOV-UHFFFAOYSA-N 1 3 337.552 2.933 20 0 EFADHO COc1ccc(C)cc1CN[C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001403551950 1364754780 /nfs/dbraw/zinc/75/47/80/1364754780.db2.gz CXHRYDIPKUIJHB-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001403556261 1364758059 /nfs/dbraw/zinc/75/80/59/1364758059.db2.gz OSBQKEBFJYOQDI-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001403579714 1364780805 /nfs/dbraw/zinc/78/08/05/1364780805.db2.gz UOEBBEPJGLXLCU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001403579714 1364780809 /nfs/dbraw/zinc/78/08/09/1364780809.db2.gz UOEBBEPJGLXLCU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001403596539 1364800367 /nfs/dbraw/zinc/80/03/67/1364800367.db2.gz VNMIUXBMFDQRKZ-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH]cn1)c1ccc2c(c1)CCC2 ZINC001403612076 1364815886 /nfs/dbraw/zinc/81/58/86/1364815886.db2.gz XXWPFLKSKHFNAS-LSDHHAIUSA-N 1 3 340.471 2.639 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1c(C)cccc1Cl ZINC001403635086 1364838394 /nfs/dbraw/zinc/83/83/94/1364838394.db2.gz URQWAWAWUXQYKO-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1c(C)cccc1Cl ZINC001403635086 1364838397 /nfs/dbraw/zinc/83/83/97/1364838397.db2.gz URQWAWAWUXQYKO-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO C[C@@H](C(=O)NCCN(C)CCc1ccccc1F)[NH+]1CCCCCC1 ZINC001403684278 1364862791 /nfs/dbraw/zinc/86/27/91/1364862791.db2.gz FQKOQNFHZGUJCQ-KRWDZBQOSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C[C@H]1C ZINC001403737485 1364892690 /nfs/dbraw/zinc/89/26/90/1364892690.db2.gz BJKNUXZUEPARRO-QAPCUYQASA-N 1 3 335.467 2.577 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001403776356 1364926193 /nfs/dbraw/zinc/92/61/93/1364926193.db2.gz VJGDUOMHHVCTRF-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@H]1C ZINC001403776356 1364926199 /nfs/dbraw/zinc/92/61/99/1364926199.db2.gz VJGDUOMHHVCTRF-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001403855059 1364999640 /nfs/dbraw/zinc/99/96/40/1364999640.db2.gz YYIZCJMDGCSFLV-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001403855059 1364999643 /nfs/dbraw/zinc/99/96/43/1364999643.db2.gz YYIZCJMDGCSFLV-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001437514509 1387715090 /nfs/dbraw/zinc/71/50/90/1387715090.db2.gz ZCMFRCXMVIRRLN-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1c(C)cccc1C ZINC001403923931 1365047987 /nfs/dbraw/zinc/04/79/87/1365047987.db2.gz YUZZUAJGSSMEHH-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1c(C)cccc1C ZINC001403923931 1365047993 /nfs/dbraw/zinc/04/79/93/1365047993.db2.gz YUZZUAJGSSMEHH-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001404020146 1365174738 /nfs/dbraw/zinc/17/47/38/1365174738.db2.gz NJYFQHYJZXDYRC-TVPLGVNVSA-N 1 3 331.504 2.723 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001404021277 1365177440 /nfs/dbraw/zinc/17/74/40/1365177440.db2.gz JPNUJPNVGZAEMW-UHFFFAOYSA-N 1 3 343.515 2.812 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001404030556 1365189631 /nfs/dbraw/zinc/18/96/31/1365189631.db2.gz ZLWPHHQXVHQOEZ-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001404030556 1365189634 /nfs/dbraw/zinc/18/96/34/1365189634.db2.gz ZLWPHHQXVHQOEZ-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCc2ccc(F)cc21 ZINC001437520729 1387725100 /nfs/dbraw/zinc/72/51/00/1387725100.db2.gz CNKQSSWPYMFZCA-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068923 1365227784 /nfs/dbraw/zinc/22/77/84/1365227784.db2.gz AWWZDCSLBPSZMO-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068923 1365227787 /nfs/dbraw/zinc/22/77/87/1365227787.db2.gz AWWZDCSLBPSZMO-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001404070188 1365229668 /nfs/dbraw/zinc/22/96/68/1365229668.db2.gz FDHVOIBAVYYNMI-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001404070188 1365229673 /nfs/dbraw/zinc/22/96/73/1365229673.db2.gz FDHVOIBAVYYNMI-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001404084273 1365244586 /nfs/dbraw/zinc/24/45/86/1365244586.db2.gz OWLOAIUMHGGCNG-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001404084273 1365244591 /nfs/dbraw/zinc/24/45/91/1365244591.db2.gz OWLOAIUMHGGCNG-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCc2ccccc2C)C1)N(C)C ZINC001404090000 1365250266 /nfs/dbraw/zinc/25/02/66/1365250266.db2.gz VWJXMBLMTUEEGA-ICSRJNTNSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCc2ccccc2C)C1)N(C)C ZINC001404090000 1365250270 /nfs/dbraw/zinc/25/02/70/1365250270.db2.gz VWJXMBLMTUEEGA-ICSRJNTNSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCc2ccccc2C)C1)N(C)C ZINC001404090013 1365250811 /nfs/dbraw/zinc/25/08/11/1365250811.db2.gz VWJXMBLMTUEEGA-QUCCMNQESA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCc2ccccc2C)C1)N(C)C ZINC001404090013 1365250814 /nfs/dbraw/zinc/25/08/14/1365250814.db2.gz VWJXMBLMTUEEGA-QUCCMNQESA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCc1ccccc1 ZINC001437526548 1387731005 /nfs/dbraw/zinc/73/10/05/1387731005.db2.gz PMIYTGNAQZYVOO-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCc1ccccc1 ZINC001437526548 1387731008 /nfs/dbraw/zinc/73/10/08/1387731008.db2.gz PMIYTGNAQZYVOO-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001404222248 1365365110 /nfs/dbraw/zinc/36/51/10/1365365110.db2.gz FFYGFPHFPANVHS-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C2CC2)c1 ZINC001404222248 1365365113 /nfs/dbraw/zinc/36/51/13/1365365113.db2.gz FFYGFPHFPANVHS-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001404308259 1365440223 /nfs/dbraw/zinc/44/02/23/1365440223.db2.gz FWFWGUQQDRFUKK-MLGOLLRUSA-N 1 3 343.874 2.928 20 0 EFADHO CN(CC[NH2+][C@H]1CCc2c1cccc2Cl)C(=O)CN(C)C1CCC1 ZINC001404321885 1365449279 /nfs/dbraw/zinc/44/92/79/1365449279.db2.gz OTUTXUMNVUZPJY-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccc(F)cc1 ZINC001404338485 1365460673 /nfs/dbraw/zinc/46/06/73/1365460673.db2.gz VXVHWJZOHPLEKH-MRXNPFEDSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)(C(=O)NCC[C@H]1CC[N@H+](CC2CCC2)C1)N1CCCCC1 ZINC001404514099 1365616499 /nfs/dbraw/zinc/61/64/99/1365616499.db2.gz VBHQAQGVURWZOZ-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1)N1CCCCC1 ZINC001404514099 1365616502 /nfs/dbraw/zinc/61/65/02/1365616502.db2.gz VBHQAQGVURWZOZ-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C/C=C/Cl)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001404617938 1365719179 /nfs/dbraw/zinc/71/91/79/1365719179.db2.gz IFZFGLJZHPNGDY-WEVVVXLNSA-N 1 3 341.927 2.785 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001404626342 1365727321 /nfs/dbraw/zinc/72/73/21/1365727321.db2.gz PVTBJHGDCDMRGQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001404626342 1365727325 /nfs/dbraw/zinc/72/73/25/1365727325.db2.gz PVTBJHGDCDMRGQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001405072757 1366001906 /nfs/dbraw/zinc/00/19/06/1366001906.db2.gz DVGJDJONYDWQME-YZGWKJHDSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001405072757 1366001910 /nfs/dbraw/zinc/00/19/10/1366001910.db2.gz DVGJDJONYDWQME-YZGWKJHDSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001405116395 1366033711 /nfs/dbraw/zinc/03/37/11/1366033711.db2.gz IAVCHIWMHHXUOW-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001437570103 1387781983 /nfs/dbraw/zinc/78/19/83/1387781983.db2.gz NOFYOHQOSXBBNN-WOJBJXKFSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001437570103 1387781986 /nfs/dbraw/zinc/78/19/86/1387781986.db2.gz NOFYOHQOSXBBNN-WOJBJXKFSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CC2CCC2)CCCC[C@@H]1C ZINC001405477042 1366228068 /nfs/dbraw/zinc/22/80/68/1366228068.db2.gz QMJUUJIAQVKDFW-IFXJQAMLSA-N 1 3 332.492 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001405519353 1366264011 /nfs/dbraw/zinc/26/40/11/1366264011.db2.gz DIAMPAOLJZBTBS-XIRDDKMYSA-N 1 3 334.508 2.960 20 0 EFADHO C[NH+]1CCC(CC(=O)NCCC2CCN(C/C=C\Cl)CC2)CC1 ZINC001405562179 1366297123 /nfs/dbraw/zinc/29/71/23/1366297123.db2.gz XLGDFBSXTNOZAV-WAPJZHGLSA-N 1 3 341.927 2.689 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](C)c1cccc(F)c1 ZINC001437595789 1387805321 /nfs/dbraw/zinc/80/53/21/1387805321.db2.gz AJKKABNFEJLRMQ-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001405666392 1366327792 /nfs/dbraw/zinc/32/77/92/1366327792.db2.gz DXKZOIDEVGYDJO-QAPCUYQASA-N 1 3 335.467 2.540 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCc2ccc(F)cc21 ZINC001437595273 1387804874 /nfs/dbraw/zinc/80/48/74/1387804874.db2.gz PSIHCXBLNZWNFG-LSBZLQRGSA-N 1 3 347.478 2.591 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCc2ccc(F)cc21 ZINC001437595273 1387804878 /nfs/dbraw/zinc/80/48/78/1387804878.db2.gz PSIHCXBLNZWNFG-LSBZLQRGSA-N 1 3 347.478 2.591 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001405743598 1366378980 /nfs/dbraw/zinc/37/89/80/1366378980.db2.gz YIJIGTWPOFULRX-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405818170 1366436797 /nfs/dbraw/zinc/43/67/97/1366436797.db2.gz ADHIISZXNDOYEE-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405838853 1366452602 /nfs/dbraw/zinc/45/26/02/1366452602.db2.gz VXUGSQGHMSSXKT-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001405845089 1366457360 /nfs/dbraw/zinc/45/73/60/1366457360.db2.gz NCJYXLBNZNESNM-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](NC[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001405848454 1366460056 /nfs/dbraw/zinc/46/00/56/1366460056.db2.gz HWAFCQWJVLUPLN-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](CNCc1cccnc1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001405863218 1366472149 /nfs/dbraw/zinc/47/21/49/1366472149.db2.gz ZRXBHWVMRHGVMG-QGZVFWFLSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@H](CNCc1cccnc1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001405863218 1366472151 /nfs/dbraw/zinc/47/21/51/1366472151.db2.gz ZRXBHWVMRHGVMG-QGZVFWFLSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001405871044 1366479578 /nfs/dbraw/zinc/47/95/78/1366479578.db2.gz IWGVKZJTAUUMRJ-OAHLLOKOSA-N 1 3 342.487 2.886 20 0 EFADHO C[C@H](CNCc1sccc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001405872025 1366480642 /nfs/dbraw/zinc/48/06/42/1366480642.db2.gz PKCCGDZLWFXKNY-GFCCVEGCSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001405971728 1367028461 /nfs/dbraw/zinc/02/84/61/1367028461.db2.gz MZGLCKUAWFZYHV-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001405971656 1367028958 /nfs/dbraw/zinc/02/89/58/1367028958.db2.gz MZGLCKUAWFZYHV-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C/C=C/Cl)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001405993416 1367065437 /nfs/dbraw/zinc/06/54/37/1367065437.db2.gz OZUVPIJKIAGRQH-ONNFQVAWSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CCC3CC3)CC2)C1 ZINC001405999709 1367074919 /nfs/dbraw/zinc/07/49/19/1367074919.db2.gz ZROIJXFFFILCCR-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CCC3CC3)CC2)C1 ZINC001405999709 1367074927 /nfs/dbraw/zinc/07/49/27/1367074927.db2.gz ZROIJXFFFILCCR-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001437625950 1387852221 /nfs/dbraw/zinc/85/22/21/1387852221.db2.gz MPUIKDYEWLAJCL-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001437625950 1387852234 /nfs/dbraw/zinc/85/22/34/1387852234.db2.gz MPUIKDYEWLAJCL-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(C)C ZINC001406059507 1367160488 /nfs/dbraw/zinc/16/04/88/1367160488.db2.gz DFOIYGDKIGWPGT-MOPGFXCFSA-N 1 3 349.494 2.885 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001406133811 1367291977 /nfs/dbraw/zinc/29/19/77/1367291977.db2.gz MPXHHJCAOGXJFN-OAHLLOKOSA-N 1 3 335.467 2.619 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001406152892 1367328093 /nfs/dbraw/zinc/32/80/93/1367328093.db2.gz KMKGVJDPAJCCRZ-QAPCUYQASA-N 1 3 337.483 2.863 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406173989 1367366834 /nfs/dbraw/zinc/36/68/34/1367366834.db2.gz ZVPABBBPTWLODV-GDBMZVCRSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406173989 1367366840 /nfs/dbraw/zinc/36/68/40/1367366840.db2.gz ZVPABBBPTWLODV-GDBMZVCRSA-N 1 3 337.895 2.743 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001406190597 1367389403 /nfs/dbraw/zinc/38/94/03/1367389403.db2.gz RCHFAVGFNVMTRW-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(C)cc2)C1 ZINC001406190597 1367389408 /nfs/dbraw/zinc/38/94/08/1367389408.db2.gz RCHFAVGFNVMTRW-PMACEKPBSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)CN(C)C1CCC1 ZINC001406326785 1367486596 /nfs/dbraw/zinc/48/65/96/1367486596.db2.gz NANWMWTXJBZROD-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001406358445 1367520296 /nfs/dbraw/zinc/52/02/96/1367520296.db2.gz HBSUXZJFWBKMHO-QGZVFWFLSA-N 1 3 345.531 2.964 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001406390037 1367541823 /nfs/dbraw/zinc/54/18/23/1367541823.db2.gz SCTSBTCZRRCIDB-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC001406511762 1367668291 /nfs/dbraw/zinc/66/82/91/1367668291.db2.gz KRUCQVPTMAVOIE-UONOGXRCSA-N 1 3 337.895 2.837 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001406543200 1367707110 /nfs/dbraw/zinc/70/71/10/1367707110.db2.gz DXSYILTXNRSOGB-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001406639664 1367845473 /nfs/dbraw/zinc/84/54/73/1367845473.db2.gz SMTVWVIGRUYWRL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001406639664 1367845483 /nfs/dbraw/zinc/84/54/83/1367845483.db2.gz SMTVWVIGRUYWRL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001406646950 1367859954 /nfs/dbraw/zinc/85/99/54/1367859954.db2.gz HGFWLJKANVRUSH-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001406701711 1367948129 /nfs/dbraw/zinc/94/81/29/1367948129.db2.gz WQDOLIXZTZKQOG-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001406701711 1367948133 /nfs/dbraw/zinc/94/81/33/1367948133.db2.gz WQDOLIXZTZKQOG-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001406722492 1367970448 /nfs/dbraw/zinc/97/04/48/1367970448.db2.gz PQYAMOVPJJOTSW-RTBURBONSA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2(NCc3cccc(F)c3)CC2)CC1 ZINC001406985606 1368281810 /nfs/dbraw/zinc/28/18/10/1368281810.db2.gz RLWITSMENPWSAN-UHFFFAOYSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001407035154 1368359632 /nfs/dbraw/zinc/35/96/32/1368359632.db2.gz VXIBNQJRGGSVRK-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001407035154 1368359639 /nfs/dbraw/zinc/35/96/39/1368359639.db2.gz VXIBNQJRGGSVRK-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccnc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001407084496 1368407642 /nfs/dbraw/zinc/40/76/42/1368407642.db2.gz HHGAOSXTZJNEDH-WMZOPIPTSA-N 1 3 346.519 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C[C@H]1C ZINC001407098889 1368423429 /nfs/dbraw/zinc/42/34/29/1368423429.db2.gz VKMXKUNWJABTAT-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001437689453 1387945713 /nfs/dbraw/zinc/94/57/13/1387945713.db2.gz VVTSKHVKMBUHIW-BQHJZSHBSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C/C=C/c1ccccc1 ZINC001437689453 1387945716 /nfs/dbraw/zinc/94/57/16/1387945716.db2.gz VVTSKHVKMBUHIW-BQHJZSHBSA-N 1 3 329.488 2.622 20 0 EFADHO CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001407229534 1368617775 /nfs/dbraw/zinc/61/77/75/1368617775.db2.gz LABPNZIKNZDTPQ-PKOBYXMFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407241800 1368637702 /nfs/dbraw/zinc/63/77/02/1368637702.db2.gz SXMAJQGQTSGXPZ-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001437726667 1387976835 /nfs/dbraw/zinc/97/68/35/1387976835.db2.gz RIHAOPLXRFMBNM-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001437726667 1387976837 /nfs/dbraw/zinc/97/68/37/1387976837.db2.gz RIHAOPLXRFMBNM-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001492966395 1369117470 /nfs/dbraw/zinc/11/74/70/1369117470.db2.gz UDGPBTYZPRDPLN-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001492966395 1369117476 /nfs/dbraw/zinc/11/74/76/1369117476.db2.gz UDGPBTYZPRDPLN-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001437733801 1387982035 /nfs/dbraw/zinc/98/20/35/1387982035.db2.gz AHAQSHPOCYTQEZ-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001437733801 1387982041 /nfs/dbraw/zinc/98/20/41/1387982041.db2.gz AHAQSHPOCYTQEZ-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001407888032 1369352890 /nfs/dbraw/zinc/35/28/90/1369352890.db2.gz JBUXCHXAVPCPJN-OALUTQOASA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001407888032 1369352896 /nfs/dbraw/zinc/35/28/96/1369352896.db2.gz JBUXCHXAVPCPJN-OALUTQOASA-N 1 3 349.494 2.967 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001407919297 1369398727 /nfs/dbraw/zinc/39/87/27/1369398727.db2.gz NPBABTACJBJJDE-KOTDBNOLSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001407919297 1369398730 /nfs/dbraw/zinc/39/87/30/1369398730.db2.gz NPBABTACJBJJDE-KOTDBNOLSA-N 1 3 343.515 2.822 20 0 EFADHO C[NH+](C)CC1(C(=O)NCc2ccc3c(c2)CN(CC2CCC2)C3)CC1 ZINC001408062626 1369576177 /nfs/dbraw/zinc/57/61/77/1369576177.db2.gz ZKCHSOUOFFZWNV-UHFFFAOYSA-N 1 3 341.499 2.760 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001408179252 1369686048 /nfs/dbraw/zinc/68/60/48/1369686048.db2.gz OTPQZYXDONNUAW-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001408179252 1369686051 /nfs/dbraw/zinc/68/60/51/1369686051.db2.gz OTPQZYXDONNUAW-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001437785253 1388066776 /nfs/dbraw/zinc/06/67/76/1388066776.db2.gz QKMMEMDEDQKZEU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001437785253 1388066784 /nfs/dbraw/zinc/06/67/84/1388066784.db2.gz QKMMEMDEDQKZEU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001414578597 1370468279 /nfs/dbraw/zinc/46/82/79/1370468279.db2.gz RPNUKUSMNNCMNZ-HXUWFJFHSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001414578597 1370468288 /nfs/dbraw/zinc/46/82/88/1370468288.db2.gz RPNUKUSMNNCMNZ-HXUWFJFHSA-N 1 3 346.519 2.682 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001437826571 1388119481 /nfs/dbraw/zinc/11/94/81/1388119481.db2.gz CLVMVYQSHVTUFS-IAGOWNOFSA-N 1 3 337.895 2.933 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001437847107 1388138373 /nfs/dbraw/zinc/13/83/73/1388138373.db2.gz ZATDYGVCJQEFEO-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001437852202 1388141996 /nfs/dbraw/zinc/14/19/96/1388141996.db2.gz YCRZVXWFBDLGDQ-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001437852220 1388142097 /nfs/dbraw/zinc/14/20/97/1388142097.db2.gz YCRZVXWFBDLGDQ-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609360 1373088615 /nfs/dbraw/zinc/08/86/15/1373088615.db2.gz XJCYVWGUGLDWSA-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609360 1373088619 /nfs/dbraw/zinc/08/86/19/1373088619.db2.gz XJCYVWGUGLDWSA-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C[C@H]1CCN1[C@@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001417742780 1373197979 /nfs/dbraw/zinc/19/79/79/1373197979.db2.gz ANHORQXWVCWPGI-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001417768845 1373232544 /nfs/dbraw/zinc/23/25/44/1373232544.db2.gz BVSKQNOWVVDKFN-AYOQOUSVSA-N 1 3 331.504 2.574 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001417769498 1373233225 /nfs/dbraw/zinc/23/32/25/1373233225.db2.gz OFDGKZPIDIZZBO-IQFAPFAGSA-N 1 3 341.499 2.526 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001417786408 1373252483 /nfs/dbraw/zinc/25/24/83/1373252483.db2.gz JNGNFPIHHOJDAZ-BZUAXINKSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001417786409 1373252752 /nfs/dbraw/zinc/25/27/52/1373252752.db2.gz JNGNFPIHHOJDAZ-JYJNAYRXSA-N 1 3 347.478 2.855 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001417819917 1373291942 /nfs/dbraw/zinc/29/19/42/1373291942.db2.gz BKARBGNHMXZORP-RTBURBONSA-N 1 3 349.494 2.850 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001417819917 1373291947 /nfs/dbraw/zinc/29/19/47/1373291947.db2.gz BKARBGNHMXZORP-RTBURBONSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437942813 1388256581 /nfs/dbraw/zinc/25/65/81/1388256581.db2.gz SWYDFOYTABEMDK-WBVHZDCISA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437942813 1388256586 /nfs/dbraw/zinc/25/65/86/1388256586.db2.gz SWYDFOYTABEMDK-WBVHZDCISA-N 1 3 337.533 2.725 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001417893758 1373380861 /nfs/dbraw/zinc/38/08/61/1373380861.db2.gz ZIFTWRYQRGNIPQ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001417980376 1373481789 /nfs/dbraw/zinc/48/17/89/1373481789.db2.gz BDUFKMNSIGQDJZ-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001417985084 1373487289 /nfs/dbraw/zinc/48/72/89/1373487289.db2.gz KBTCIFKVFLACIO-AUUYWEPGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418126108 1373643606 /nfs/dbraw/zinc/64/36/06/1373643606.db2.gz XWZDYTOFFIOICC-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418126108 1373643614 /nfs/dbraw/zinc/64/36/14/1373643614.db2.gz XWZDYTOFFIOICC-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001418131869 1373654751 /nfs/dbraw/zinc/65/47/51/1373654751.db2.gz BQKSTFGNDXLWQO-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001418131869 1373654753 /nfs/dbraw/zinc/65/47/53/1373654753.db2.gz BQKSTFGNDXLWQO-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001418160776 1373705841 /nfs/dbraw/zinc/70/58/41/1373705841.db2.gz CZENWHFRTAVLFE-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001418171684 1373724362 /nfs/dbraw/zinc/72/43/62/1373724362.db2.gz FUHADZIVXDLMFP-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418174502 1373730768 /nfs/dbraw/zinc/73/07/68/1373730768.db2.gz MCRODBNBDQQHLX-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418174498 1373730889 /nfs/dbraw/zinc/73/08/89/1373730889.db2.gz MCRODBNBDQQHLX-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180037 1373741080 /nfs/dbraw/zinc/74/10/80/1373741080.db2.gz PZGGRDDCYQWRNA-DKCCPGLUSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180037 1373741086 /nfs/dbraw/zinc/74/10/86/1373741086.db2.gz PZGGRDDCYQWRNA-DKCCPGLUSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001418234457 1373790564 /nfs/dbraw/zinc/79/05/64/1373790564.db2.gz LHEIAIYBBZHSSC-OAHLLOKOSA-N 1 3 346.519 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC001418334812 1373913690 /nfs/dbraw/zinc/91/36/90/1373913690.db2.gz BDUDKLKGQCYSJG-YOEHRIQHSA-N 1 3 337.895 2.933 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CCC)C2)cc1 ZINC001418335881 1373915278 /nfs/dbraw/zinc/91/52/78/1373915278.db2.gz LAQYARDGBGNLOZ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001418350778 1373923603 /nfs/dbraw/zinc/92/36/03/1373923603.db2.gz SOAVJVCNKKWRTA-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001418367903 1373941807 /nfs/dbraw/zinc/94/18/07/1373941807.db2.gz QAHODWIOYGFKQJ-SJORKVTESA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(C)cc2)C1 ZINC001418386324 1373968259 /nfs/dbraw/zinc/96/82/59/1373968259.db2.gz SGRGEECNTRLEBE-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001418386324 1373968265 /nfs/dbraw/zinc/96/82/65/1373968265.db2.gz SGRGEECNTRLEBE-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001437981703 1388293067 /nfs/dbraw/zinc/29/30/67/1388293067.db2.gz RUZASWHOMPQESK-GQSKFBFOSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001418430151 1374017370 /nfs/dbraw/zinc/01/73/70/1374017370.db2.gz VPBYEHAJECRQQY-OAHLLOKOSA-N 1 3 328.460 2.562 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001418461578 1374051753 /nfs/dbraw/zinc/05/17/53/1374051753.db2.gz PDKGWETZBAOCMI-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418464827 1374054395 /nfs/dbraw/zinc/05/43/95/1374054395.db2.gz IEWHPRXULFNZMH-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418464827 1374054397 /nfs/dbraw/zinc/05/43/97/1374054397.db2.gz IEWHPRXULFNZMH-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001418476923 1374070151 /nfs/dbraw/zinc/07/01/51/1374070151.db2.gz HMHZDGBPLLWNDI-HNNXBMFYSA-N 1 3 333.451 2.563 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001418494597 1374091344 /nfs/dbraw/zinc/09/13/44/1374091344.db2.gz LFHKKLIUCBGCNM-RDTXWAMCSA-N 1 3 349.906 2.717 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001418494597 1374091347 /nfs/dbraw/zinc/09/13/47/1374091347.db2.gz LFHKKLIUCBGCNM-RDTXWAMCSA-N 1 3 349.906 2.717 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001418501451 1374100068 /nfs/dbraw/zinc/10/00/68/1374100068.db2.gz HLGBWSQRCRZSMD-IBGZPJMESA-N 1 3 347.503 2.506 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001418501451 1374100076 /nfs/dbraw/zinc/10/00/76/1374100076.db2.gz HLGBWSQRCRZSMD-IBGZPJMESA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001418512835 1374115448 /nfs/dbraw/zinc/11/54/48/1374115448.db2.gz RXYVFYKQIPZYFE-LJQANCHMSA-N 1 3 327.472 2.728 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001418512835 1374115453 /nfs/dbraw/zinc/11/54/53/1374115453.db2.gz RXYVFYKQIPZYFE-LJQANCHMSA-N 1 3 327.472 2.728 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001418517488 1374122032 /nfs/dbraw/zinc/12/20/32/1374122032.db2.gz WSMYTPFTQMRBAI-UYAOXDASSA-N 1 3 345.531 2.741 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001418517488 1374122036 /nfs/dbraw/zinc/12/20/36/1374122036.db2.gz WSMYTPFTQMRBAI-UYAOXDASSA-N 1 3 345.531 2.741 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1C ZINC001418561680 1374182553 /nfs/dbraw/zinc/18/25/53/1374182553.db2.gz CSCIPEKGGRPELV-QGZVFWFLSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1C ZINC001418561680 1374182559 /nfs/dbraw/zinc/18/25/59/1374182559.db2.gz CSCIPEKGGRPELV-QGZVFWFLSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cc(C)cc1C ZINC001418562616 1374185159 /nfs/dbraw/zinc/18/51/59/1374185159.db2.gz RGSFAJRWWBZVLO-MRXNPFEDSA-N 1 3 345.531 2.892 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cc(C)cc1C ZINC001418562616 1374185168 /nfs/dbraw/zinc/18/51/68/1374185168.db2.gz RGSFAJRWWBZVLO-MRXNPFEDSA-N 1 3 345.531 2.892 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001418598775 1374249252 /nfs/dbraw/zinc/24/92/52/1374249252.db2.gz WYDUVJRDYINPIJ-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1ccccc1C ZINC001418598775 1374249256 /nfs/dbraw/zinc/24/92/56/1374249256.db2.gz WYDUVJRDYINPIJ-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001418643764 1374312764 /nfs/dbraw/zinc/31/27/64/1374312764.db2.gz BJJMZLMIQFUFNE-XOYOTBSWSA-N 1 3 346.519 2.961 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001418657947 1374330640 /nfs/dbraw/zinc/33/06/40/1374330640.db2.gz KPYHZRSGHSMQDM-UAGQMJEPSA-N 1 3 337.533 2.690 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001418680408 1374359737 /nfs/dbraw/zinc/35/97/37/1374359737.db2.gz DZTLSEFNDLZYAQ-UAPYVXQJSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001418684255 1374366627 /nfs/dbraw/zinc/36/66/27/1374366627.db2.gz PKGJOLMMRJTURG-IIDMSEBBSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418687313 1374369985 /nfs/dbraw/zinc/36/99/85/1374369985.db2.gz VWOFHBSBXNHTQY-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418690129 1374371964 /nfs/dbraw/zinc/37/19/64/1374371964.db2.gz NBLOXVKHVMASMI-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418690129 1374371967 /nfs/dbraw/zinc/37/19/67/1374371967.db2.gz NBLOXVKHVMASMI-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001418694847 1374378953 /nfs/dbraw/zinc/37/89/53/1374378953.db2.gz COBZPECLGUVLAS-ADAWSYLGSA-N 1 3 335.467 2.711 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001418705896 1374392332 /nfs/dbraw/zinc/39/23/32/1374392332.db2.gz WAMKJWXOOZHUJP-GUDVDZBRSA-N 1 3 331.504 2.574 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cccc1C ZINC001418728990 1374428765 /nfs/dbraw/zinc/42/87/65/1374428765.db2.gz SUYFHBCMFXMGNO-KRWDZBQOSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cccc1C ZINC001418728990 1374428770 /nfs/dbraw/zinc/42/87/70/1374428770.db2.gz SUYFHBCMFXMGNO-KRWDZBQOSA-N 1 3 345.531 2.973 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC001418825014 1374546061 /nfs/dbraw/zinc/54/60/61/1374546061.db2.gz GVGQRZUYHOUWCU-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001418825001 1374546275 /nfs/dbraw/zinc/54/62/75/1374546275.db2.gz GVGQRZUYHOUWCU-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC001418826981 1374549709 /nfs/dbraw/zinc/54/97/09/1374549709.db2.gz KETSMWNESPKNLQ-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001418841513 1374564070 /nfs/dbraw/zinc/56/40/70/1374564070.db2.gz AALCOYZITZXWMI-RZIFZGNASA-N 1 3 343.943 2.934 20 0 EFADHO C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001418841514 1374564203 /nfs/dbraw/zinc/56/42/03/1374564203.db2.gz AALCOYZITZXWMI-WUKHSURWSA-N 1 3 343.943 2.934 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001418959574 1374735413 /nfs/dbraw/zinc/73/54/13/1374735413.db2.gz ZQYGIPATMVYCHR-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001418959574 1374735423 /nfs/dbraw/zinc/73/54/23/1374735423.db2.gz ZQYGIPATMVYCHR-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001419032323 1374778543 /nfs/dbraw/zinc/77/85/43/1374778543.db2.gz STTXUGUQMTWBJJ-UHFFFAOYSA-N 1 3 343.515 2.583 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001419076546 1374816465 /nfs/dbraw/zinc/81/64/65/1374816465.db2.gz IWFTZQBWKGHQON-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ncccc1C ZINC001419077913 1374817486 /nfs/dbraw/zinc/81/74/86/1374817486.db2.gz KVGVHAPEATYVNV-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ncccc1C ZINC001419077913 1374817495 /nfs/dbraw/zinc/81/74/95/1374817495.db2.gz KVGVHAPEATYVNV-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001419080232 1374820374 /nfs/dbraw/zinc/82/03/74/1374820374.db2.gz DVGJDJONYDWQME-RLLQIKCJSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001419080232 1374820378 /nfs/dbraw/zinc/82/03/78/1374820378.db2.gz DVGJDJONYDWQME-RLLQIKCJSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001419097545 1374840321 /nfs/dbraw/zinc/84/03/21/1374840321.db2.gz UPMWUAGWXMAPRF-GOSISDBHSA-N 1 3 349.544 2.747 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001419152695 1374902982 /nfs/dbraw/zinc/90/29/82/1374902982.db2.gz CUVVPIZPJTVGCD-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001419152695 1374902984 /nfs/dbraw/zinc/90/29/84/1374902984.db2.gz CUVVPIZPJTVGCD-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001419178232 1374926530 /nfs/dbraw/zinc/92/65/30/1374926530.db2.gz GWEGLSAGVMLBLO-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001419178232 1374926533 /nfs/dbraw/zinc/92/65/33/1374926533.db2.gz GWEGLSAGVMLBLO-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001419190037 1374934936 /nfs/dbraw/zinc/93/49/36/1374934936.db2.gz XLJIDPVMSRYVSL-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001419190970 1374937765 /nfs/dbraw/zinc/93/77/65/1374937765.db2.gz GZKDRYYTNNHYEI-WMZOPIPTSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(F)ccc1C ZINC001419195237 1374940683 /nfs/dbraw/zinc/94/06/83/1374940683.db2.gz YJMGXCYOGALSJW-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001419201784 1374947300 /nfs/dbraw/zinc/94/73/00/1374947300.db2.gz BGWFPOMASHHXEI-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1sccc1Cl ZINC001419218334 1374964759 /nfs/dbraw/zinc/96/47/59/1374964759.db2.gz IVINNWBSHPRECS-CYBMUJFWSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(C)sc1C ZINC001419251254 1374998477 /nfs/dbraw/zinc/99/84/77/1374998477.db2.gz VPSVQZJTOKVUJD-HOTGVXAUSA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCc1ccccc1F ZINC001419269937 1375016394 /nfs/dbraw/zinc/01/63/94/1375016394.db2.gz RKIVSUVOIQAIHD-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001419270897 1375018454 /nfs/dbraw/zinc/01/84/54/1375018454.db2.gz WMDNOBPMRWCVLG-IFXJQAMLSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001419301126 1375062111 /nfs/dbraw/zinc/06/21/11/1375062111.db2.gz UVAHVOZNVLVIFO-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCCC1)N(C)C ZINC001419301655 1375062948 /nfs/dbraw/zinc/06/29/48/1375062948.db2.gz ANYBZYNANABMOH-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccccc1Cl ZINC001419414165 1375242136 /nfs/dbraw/zinc/24/21/36/1375242136.db2.gz BQLLVTUOTQKMAS-RBSFLKMASA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001419419894 1375251160 /nfs/dbraw/zinc/25/11/60/1375251160.db2.gz SULNSTTZDHTCGW-PSBWJHGTSA-N 1 3 347.478 2.636 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001419425949 1375256971 /nfs/dbraw/zinc/25/69/71/1375256971.db2.gz REWWIZNQWPGEGD-GUDVDZBRSA-N 1 3 347.478 2.952 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC001419464592 1375306484 /nfs/dbraw/zinc/30/64/84/1375306484.db2.gz RGBATQRJYBPSRY-AYHJJNSGSA-N 1 3 347.478 2.779 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC001419464592 1375306487 /nfs/dbraw/zinc/30/64/87/1375306487.db2.gz RGBATQRJYBPSRY-AYHJJNSGSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001419471017 1375314784 /nfs/dbraw/zinc/31/47/84/1375314784.db2.gz PAQKPEBHWQHBGP-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001419524920 1375386835 /nfs/dbraw/zinc/38/68/35/1375386835.db2.gz HMFIVPOGJVAQJN-HIFRSBDPSA-N 1 3 328.460 2.672 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC001419524931 1375387095 /nfs/dbraw/zinc/38/70/95/1375387095.db2.gz HMFIVPOGJVAQJN-ZFWWWQNUSA-N 1 3 328.460 2.672 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001419532087 1375399740 /nfs/dbraw/zinc/39/97/40/1375399740.db2.gz UZPCRRWIFPFJQG-QFBILLFUSA-N 1 3 331.504 2.748 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001419532078 1375400282 /nfs/dbraw/zinc/40/02/82/1375400282.db2.gz UZPCRRWIFPFJQG-LPHOPBHVSA-N 1 3 331.504 2.748 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCC1 ZINC001419615788 1375546905 /nfs/dbraw/zinc/54/69/05/1375546905.db2.gz PYHQPEVGZFEOKI-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001419694401 1375729139 /nfs/dbraw/zinc/72/91/39/1375729139.db2.gz GVWGRDRICUDWDH-BLLLJJGKSA-N 1 3 341.858 2.510 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001419812961 1375924378 /nfs/dbraw/zinc/92/43/78/1375924378.db2.gz BPNLRKQKLLRRSP-FEPMCFLQSA-N 1 3 341.927 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC001419813839 1375925335 /nfs/dbraw/zinc/92/53/35/1375925335.db2.gz CTWPTKWZJBPFBF-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001419816037 1375928388 /nfs/dbraw/zinc/92/83/88/1375928388.db2.gz IGCOHBDVRCYVBD-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001438211735 1388416174 /nfs/dbraw/zinc/41/61/74/1388416174.db2.gz UTBZRNLGLFVPPS-QXAKKESOSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001438211735 1388416177 /nfs/dbraw/zinc/41/61/77/1388416177.db2.gz UTBZRNLGLFVPPS-QXAKKESOSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccc(Cl)s1 ZINC001419876259 1376049252 /nfs/dbraw/zinc/04/92/52/1376049252.db2.gz YLOZWRUXAKLNGU-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001419914587 1376120339 /nfs/dbraw/zinc/12/03/39/1376120339.db2.gz SHPIKGGASKQETJ-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(F)(F)C1 ZINC001419933317 1376149765 /nfs/dbraw/zinc/14/97/65/1376149765.db2.gz UZPHAQAKWYLQTG-ZDUSSCGKSA-N 1 3 339.430 2.501 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419992262 1376244728 /nfs/dbraw/zinc/24/47/28/1376244728.db2.gz WGLIAFPHOYSURQ-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001419999996 1376260986 /nfs/dbraw/zinc/26/09/86/1376260986.db2.gz VVIVAHFSVQTKHG-QZTJIDSGSA-N 1 3 335.467 2.761 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001419999996 1376260991 /nfs/dbraw/zinc/26/09/91/1376260991.db2.gz VVIVAHFSVQTKHG-QZTJIDSGSA-N 1 3 335.467 2.761 20 0 EFADHO CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001420039682 1376350570 /nfs/dbraw/zinc/35/05/70/1376350570.db2.gz SFSVIGHVNMCQDI-ZWKOTPCHSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001420039682 1376350585 /nfs/dbraw/zinc/35/05/85/1376350585.db2.gz SFSVIGHVNMCQDI-ZWKOTPCHSA-N 1 3 325.541 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001420044417 1376365963 /nfs/dbraw/zinc/36/59/63/1376365963.db2.gz SPAMZKOKCAZLCG-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001420044417 1376365970 /nfs/dbraw/zinc/36/59/70/1376365970.db2.gz SPAMZKOKCAZLCG-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001420045334 1376367821 /nfs/dbraw/zinc/36/78/21/1376367821.db2.gz GSIGBDXERCQKLP-AZUAARDMSA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001420045334 1376367839 /nfs/dbraw/zinc/36/78/39/1376367839.db2.gz GSIGBDXERCQKLP-AZUAARDMSA-N 1 3 345.531 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001420073187 1376420301 /nfs/dbraw/zinc/42/03/01/1376420301.db2.gz HRGZKRUQAYMSRC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CCCC2)C1 ZINC001420073187 1376420305 /nfs/dbraw/zinc/42/03/05/1376420305.db2.gz HRGZKRUQAYMSRC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001420321917 1376730821 /nfs/dbraw/zinc/73/08/21/1376730821.db2.gz ADRQYADITUGNPE-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1cccc(Cl)c1 ZINC001420321917 1376730825 /nfs/dbraw/zinc/73/08/25/1376730825.db2.gz ADRQYADITUGNPE-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCc1ccc(C)cc1 ZINC001420356349 1376795199 /nfs/dbraw/zinc/79/51/99/1376795199.db2.gz GLKJDUWHBZXSQU-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1ccc(C)cc1 ZINC001420356349 1376795208 /nfs/dbraw/zinc/79/52/08/1376795208.db2.gz GLKJDUWHBZXSQU-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)NC(=O)CN(C)C1CCC1 ZINC001420432441 1376959261 /nfs/dbraw/zinc/95/92/61/1376959261.db2.gz PSFYYJLXVGSTCR-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438273062 1388472884 /nfs/dbraw/zinc/47/28/84/1388472884.db2.gz WOYMXNPDNKBRDQ-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438273062 1388472887 /nfs/dbraw/zinc/47/28/87/1388472887.db2.gz WOYMXNPDNKBRDQ-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001420494533 1377076672 /nfs/dbraw/zinc/07/66/72/1377076672.db2.gz SIXRTSWXWBNZHO-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1c(C)cccc1Cl ZINC001420494533 1377076677 /nfs/dbraw/zinc/07/66/77/1377076677.db2.gz SIXRTSWXWBNZHO-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC001420497078 1377081919 /nfs/dbraw/zinc/08/19/19/1377081919.db2.gz HCRZYPMXAUDQAA-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001420509156 1377105833 /nfs/dbraw/zinc/10/58/33/1377105833.db2.gz UWDKKWMPPCVQCC-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1F ZINC001420530481 1377139757 /nfs/dbraw/zinc/13/97/57/1377139757.db2.gz NVOKFKDHKPRBDR-HKUYNNGSSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001420538769 1377152900 /nfs/dbraw/zinc/15/29/00/1377152900.db2.gz IBLHZHDYMAHCGI-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001420538769 1377152902 /nfs/dbraw/zinc/15/29/02/1377152902.db2.gz IBLHZHDYMAHCGI-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001420554574 1377184915 /nfs/dbraw/zinc/18/49/15/1377184915.db2.gz NMCLYPIFNDPGNQ-IRXDYDNUSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001420554574 1377184916 /nfs/dbraw/zinc/18/49/16/1377184916.db2.gz NMCLYPIFNDPGNQ-IRXDYDNUSA-N 1 3 340.471 2.768 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001420563005 1377206161 /nfs/dbraw/zinc/20/61/61/1377206161.db2.gz ZHAUAGLKRRJNIS-SFHVURJKSA-N 1 3 347.478 2.640 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583061 1377251529 /nfs/dbraw/zinc/25/15/29/1377251529.db2.gz FOPZLJMOWHNQGZ-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583061 1377251534 /nfs/dbraw/zinc/25/15/34/1377251534.db2.gz FOPZLJMOWHNQGZ-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001420597256 1377283521 /nfs/dbraw/zinc/28/35/21/1377283521.db2.gz KCNLXQRHSZWJCJ-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001420597256 1377283528 /nfs/dbraw/zinc/28/35/28/1377283528.db2.gz KCNLXQRHSZWJCJ-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001420668064 1377461158 /nfs/dbraw/zinc/46/11/58/1377461158.db2.gz XUHNDCOXDBRMCW-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001420668064 1377461159 /nfs/dbraw/zinc/46/11/59/1377461159.db2.gz XUHNDCOXDBRMCW-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001420668502 1377466660 /nfs/dbraw/zinc/46/66/60/1377466660.db2.gz ZTNZOOMMSSCLCF-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001420668502 1377466661 /nfs/dbraw/zinc/46/66/61/1377466661.db2.gz ZTNZOOMMSSCLCF-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001420757649 1377606518 /nfs/dbraw/zinc/60/65/18/1377606518.db2.gz MDTASPXPCSMSFP-KRWDZBQOSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001420790556 1377673963 /nfs/dbraw/zinc/67/39/63/1377673963.db2.gz GRUXFVIVHKFHIQ-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001420863674 1377795408 /nfs/dbraw/zinc/79/54/08/1377795408.db2.gz VIPURWIAKBIBKF-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001420863674 1377795415 /nfs/dbraw/zinc/79/54/15/1377795415.db2.gz VIPURWIAKBIBKF-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001420864595 1377796982 /nfs/dbraw/zinc/79/69/82/1377796982.db2.gz BYULKXSOJYXVRX-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001420864595 1377796987 /nfs/dbraw/zinc/79/69/87/1377796987.db2.gz BYULKXSOJYXVRX-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001420864588 1377797190 /nfs/dbraw/zinc/79/71/90/1377797190.db2.gz BYULKXSOJYXVRX-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001420864588 1377797194 /nfs/dbraw/zinc/79/71/94/1377797194.db2.gz BYULKXSOJYXVRX-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933032 1377901023 /nfs/dbraw/zinc/90/10/23/1377901023.db2.gz SPGRDRILZWVDCC-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933032 1377901025 /nfs/dbraw/zinc/90/10/25/1377901025.db2.gz SPGRDRILZWVDCC-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001420957336 1377938714 /nfs/dbraw/zinc/93/87/14/1377938714.db2.gz IANGYSSIXGFKAO-DLBZAZTESA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001421009161 1378015953 /nfs/dbraw/zinc/01/59/53/1378015953.db2.gz SZESIQSHVJXDGW-LYLYKKCESA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001421009161 1378015956 /nfs/dbraw/zinc/01/59/56/1378015956.db2.gz SZESIQSHVJXDGW-LYLYKKCESA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CC2)C2CCCCCC2)C1 ZINC001421016395 1378024689 /nfs/dbraw/zinc/02/46/89/1378024689.db2.gz MFBVHFMOOZUPNS-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CC2)C2CCCCCC2)C1 ZINC001421016395 1378024691 /nfs/dbraw/zinc/02/46/91/1378024691.db2.gz MFBVHFMOOZUPNS-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001421017106 1378026565 /nfs/dbraw/zinc/02/65/65/1378026565.db2.gz CMEMXFIHRZMTSS-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001421017106 1378026571 /nfs/dbraw/zinc/02/65/71/1378026571.db2.gz CMEMXFIHRZMTSS-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041201 1378058075 /nfs/dbraw/zinc/05/80/75/1378058075.db2.gz UDPFYUMBDZYKFZ-QFBILLFUSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041201 1378058079 /nfs/dbraw/zinc/05/80/79/1378058079.db2.gz UDPFYUMBDZYKFZ-QFBILLFUSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041198 1378058278 /nfs/dbraw/zinc/05/82/78/1378058278.db2.gz UDPFYUMBDZYKFZ-LPHOPBHVSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041198 1378058273 /nfs/dbraw/zinc/05/82/73/1378058273.db2.gz UDPFYUMBDZYKFZ-LPHOPBHVSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421099192 1378124957 /nfs/dbraw/zinc/12/49/57/1378124957.db2.gz FYOOFTWCUDSDAZ-SJORKVTESA-N 1 3 346.519 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001421142358 1378177052 /nfs/dbraw/zinc/17/70/52/1378177052.db2.gz PMTGLVILKJCMEJ-ROUUACIJSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001421143017 1378178711 /nfs/dbraw/zinc/17/87/11/1378178711.db2.gz WFRGNKLHRRLFPP-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421209182 1378278644 /nfs/dbraw/zinc/27/86/44/1378278644.db2.gz DLRKFSCDZXLLPH-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421209182 1378278654 /nfs/dbraw/zinc/27/86/54/1378278654.db2.gz DLRKFSCDZXLLPH-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccc(C)cc1 ZINC001421418875 1378594973 /nfs/dbraw/zinc/59/49/73/1378594973.db2.gz DRBJDANZOFCCBX-SFHVURJKSA-N 1 3 331.504 2.506 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001421525148 1378748326 /nfs/dbraw/zinc/74/83/26/1378748326.db2.gz NYPZQPYQLHECCD-OALUTQOASA-N 1 3 345.531 2.972 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)CC(C)(C)C ZINC001421550198 1378795512 /nfs/dbraw/zinc/79/55/12/1378795512.db2.gz OIJMXJATNTYLHG-IYARVYRRSA-N 1 3 337.552 2.887 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001421642589 1378933019 /nfs/dbraw/zinc/93/30/19/1378933019.db2.gz VVNKRMIVPJYGLC-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001421642589 1378933023 /nfs/dbraw/zinc/93/30/23/1378933023.db2.gz VVNKRMIVPJYGLC-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001421756087 1379085052 /nfs/dbraw/zinc/08/50/52/1379085052.db2.gz RSUGMXNIBMQVLI-UHFFFAOYSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001421767232 1379105506 /nfs/dbraw/zinc/10/55/06/1379105506.db2.gz IRJNSTZJEQKIFC-GUYCJALGSA-N 1 3 346.450 2.893 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001421767236 1379105736 /nfs/dbraw/zinc/10/57/36/1379105736.db2.gz IRJNSTZJEQKIFC-SUMWQHHRSA-N 1 3 346.450 2.893 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001421773315 1379117433 /nfs/dbraw/zinc/11/74/33/1379117433.db2.gz YOLNCUYZUOKXHD-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001421775642 1379120158 /nfs/dbraw/zinc/12/01/58/1379120158.db2.gz GYENZUAHISYFGF-WGPYJDKQSA-N 1 3 327.900 2.630 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2cccc(F)c2)CCC1 ZINC001421803667 1379153992 /nfs/dbraw/zinc/15/39/92/1379153992.db2.gz LQLQFXBJMGGZMG-UHFFFAOYSA-N 1 3 347.478 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001421818607 1379174166 /nfs/dbraw/zinc/17/41/66/1379174166.db2.gz NTTWAIMKEXZLPW-IZIDJEDMSA-N 1 3 327.900 2.632 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001421827906 1379191549 /nfs/dbraw/zinc/19/15/49/1379191549.db2.gz QVEOXKBCMRZEBS-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001421827906 1379191555 /nfs/dbraw/zinc/19/15/55/1379191555.db2.gz QVEOXKBCMRZEBS-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CC(F)(F)C3)CCCC2)CCC1 ZINC001421841361 1379220163 /nfs/dbraw/zinc/22/01/63/1379220163.db2.gz BEKYKYAZCJBDHT-UHFFFAOYSA-N 1 3 343.462 2.535 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3ccccc3)CCCC2)CCC1 ZINC001421845092 1379227437 /nfs/dbraw/zinc/22/74/37/1379227437.db2.gz KGURAHIQAJOELM-UHFFFAOYSA-N 1 3 343.515 2.732 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001421864839 1379265600 /nfs/dbraw/zinc/26/56/00/1379265600.db2.gz JFHCAXCBSICXTK-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001421864839 1379265603 /nfs/dbraw/zinc/26/56/03/1379265603.db2.gz JFHCAXCBSICXTK-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001421868081 1379273016 /nfs/dbraw/zinc/27/30/16/1379273016.db2.gz BWPSIMWSLFSHBK-KRWDZBQOSA-N 1 3 349.494 2.778 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001421868081 1379273018 /nfs/dbraw/zinc/27/30/18/1379273018.db2.gz BWPSIMWSLFSHBK-KRWDZBQOSA-N 1 3 349.494 2.778 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421895799 1379319600 /nfs/dbraw/zinc/31/96/00/1379319600.db2.gz WPLCPNIANFDFHI-INIZCTEOSA-N 1 3 328.460 2.802 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421895799 1379319604 /nfs/dbraw/zinc/31/96/04/1379319604.db2.gz WPLCPNIANFDFHI-INIZCTEOSA-N 1 3 328.460 2.802 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)CN(C)C1CCC1 ZINC001421898677 1379324865 /nfs/dbraw/zinc/32/48/65/1379324865.db2.gz CDRJOUVOTNNVAQ-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001421935100 1379373357 /nfs/dbraw/zinc/37/33/57/1379373357.db2.gz BGLNAQBOKKPSTK-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cs1 ZINC001421949396 1379395257 /nfs/dbraw/zinc/39/52/57/1379395257.db2.gz ZUHFRMBSDWCOPK-CQSZACIVSA-N 1 3 339.549 2.971 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC001422020800 1379497899 /nfs/dbraw/zinc/49/78/99/1379497899.db2.gz ANDXAALGYWBJDH-AMZXMIAXSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001422034107 1379518945 /nfs/dbraw/zinc/51/89/45/1379518945.db2.gz SVIVWTOMFNNSJG-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)C/C=C/Cl)CC2)CCC1 ZINC001422042893 1379534260 /nfs/dbraw/zinc/53/42/60/1379534260.db2.gz WQBCLKHQFMLMFU-VZUCSPMQSA-N 1 3 341.927 2.784 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)C/C=C/Cl)CC2)CCC1 ZINC001422042893 1379534262 /nfs/dbraw/zinc/53/42/62/1379534262.db2.gz WQBCLKHQFMLMFU-VZUCSPMQSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC=C(Cl)Cl ZINC001422054923 1379547333 /nfs/dbraw/zinc/54/73/33/1379547333.db2.gz CVUCSWYEAJAZRO-KGLIPLIRSA-N 1 3 348.318 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001422061119 1379558026 /nfs/dbraw/zinc/55/80/26/1379558026.db2.gz YPJQGWKZUFDHSH-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001422095659 1379604885 /nfs/dbraw/zinc/60/48/85/1379604885.db2.gz NAXCVEDQSPHALX-ICEKFOEVSA-N 1 3 343.515 2.915 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001422095665 1379605141 /nfs/dbraw/zinc/60/51/41/1379605141.db2.gz NAXCVEDQSPHALX-KEEQEYLASA-N 1 3 343.515 2.915 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001422122560 1379645175 /nfs/dbraw/zinc/64/51/75/1379645175.db2.gz CPJSEOIGKLSLDT-ZIAGYGMSSA-N 1 3 337.430 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@H](C)C1 ZINC001422122560 1379645176 /nfs/dbraw/zinc/64/51/76/1379645176.db2.gz CPJSEOIGKLSLDT-ZIAGYGMSSA-N 1 3 337.430 2.640 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCCCC1 ZINC001422137465 1379671213 /nfs/dbraw/zinc/67/12/13/1379671213.db2.gz VTBSVDJMJGWICM-MSOLQXFVSA-N 1 3 325.541 2.883 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001422159480 1379701362 /nfs/dbraw/zinc/70/13/62/1379701362.db2.gz CGMHKBPTDYQJQT-VHSSKADRSA-N 1 3 335.467 2.638 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001422165513 1379712107 /nfs/dbraw/zinc/71/21/07/1379712107.db2.gz BCUGIUFQNAORJB-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001422165513 1379712108 /nfs/dbraw/zinc/71/21/08/1379712108.db2.gz BCUGIUFQNAORJB-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001422168560 1379716295 /nfs/dbraw/zinc/71/62/95/1379716295.db2.gz LFPPSTFFWZGASN-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(CCC[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001422168560 1379716299 /nfs/dbraw/zinc/71/62/99/1379716299.db2.gz LFPPSTFFWZGASN-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001422233378 1379823526 /nfs/dbraw/zinc/82/35/26/1379823526.db2.gz XQONIONIYHUXCB-QGZVFWFLSA-N 1 3 345.531 2.968 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001422233378 1379823531 /nfs/dbraw/zinc/82/35/31/1379823531.db2.gz XQONIONIYHUXCB-QGZVFWFLSA-N 1 3 345.531 2.968 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2csc(C)c2)C1 ZINC001422244846 1379850028 /nfs/dbraw/zinc/85/00/28/1379850028.db2.gz IGSQTLOBHBUMBY-ZWKOTPCHSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2csc(C)c2)C1 ZINC001422244846 1379850032 /nfs/dbraw/zinc/85/00/32/1379850032.db2.gz IGSQTLOBHBUMBY-ZWKOTPCHSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001438498262 1388641047 /nfs/dbraw/zinc/64/10/47/1388641047.db2.gz MKDHGLQSLZXFDC-IRXDYDNUSA-N 1 3 331.504 2.882 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001438501084 1388642470 /nfs/dbraw/zinc/64/24/70/1388642470.db2.gz TWWIGJWPSBEYTI-ZDUSSCGKSA-N 1 3 337.533 2.691 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001422458336 1380135209 /nfs/dbraw/zinc/13/52/09/1380135209.db2.gz XFLKVRYWBZBIHR-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)C1(N(C)C)CCC1 ZINC001422458353 1380135595 /nfs/dbraw/zinc/13/55/95/1380135595.db2.gz XSJKMUJXAHXXLG-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1F ZINC001422493582 1380196813 /nfs/dbraw/zinc/19/68/13/1380196813.db2.gz VEUUTBVGCISYBQ-MRXNPFEDSA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422517999 1380240356 /nfs/dbraw/zinc/24/03/56/1380240356.db2.gz QIXNHMOGDKRBJD-ZMYBRWDISA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001422589444 1380383094 /nfs/dbraw/zinc/38/30/94/1380383094.db2.gz KEEDHRDPBWXPPD-KXBFYZLASA-N 1 3 345.487 2.956 20 0 EFADHO CC(C)Cc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC001422608077 1380414310 /nfs/dbraw/zinc/41/43/10/1380414310.db2.gz LNCVWXBZYVLNGR-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]C/C=C\Cl ZINC001422676849 1380564144 /nfs/dbraw/zinc/56/41/44/1380564144.db2.gz OQLNUKGCEFNTIO-OOYWPUHTSA-N 1 3 343.943 2.934 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)NC(=O)CC1CC[NH+](C)CC1 ZINC001422718315 1380704498 /nfs/dbraw/zinc/70/44/98/1380704498.db2.gz HHKUMNCBODDVSH-HNNXBMFYSA-N 1 3 343.471 2.759 20 0 EFADHO COCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001422731530 1380729224 /nfs/dbraw/zinc/72/92/24/1380729224.db2.gz CVAKSOIHQLZRQN-UXHICEINSA-N 1 3 332.488 2.691 20 0 EFADHO Cc1cccc([C@@H](C)N2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001422732424 1380730521 /nfs/dbraw/zinc/73/05/21/1380730521.db2.gz JZLWQYDWOCRJDT-DLBZAZTESA-N 1 3 343.515 2.834 20 0 EFADHO Cc1cccc([C@H](C)N2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001422732459 1380731075 /nfs/dbraw/zinc/73/10/75/1380731075.db2.gz JZLWQYDWOCRJDT-SJORKVTESA-N 1 3 343.515 2.834 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001422734928 1380733154 /nfs/dbraw/zinc/73/31/54/1380733154.db2.gz RXEZXXGMCFIUNP-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001422752850 1380758472 /nfs/dbraw/zinc/75/84/72/1380758472.db2.gz GLTKLWWBORZJJQ-LPHOPBHVSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001422756177 1380764083 /nfs/dbraw/zinc/76/40/83/1380764083.db2.gz QGOUYNKQCVSVEH-XLIONFOSSA-N 1 3 345.531 2.642 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422816417 1380850408 /nfs/dbraw/zinc/85/04/08/1380850408.db2.gz BBNWUKCLMQHHEI-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422816417 1380850413 /nfs/dbraw/zinc/85/04/13/1380850413.db2.gz BBNWUKCLMQHHEI-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001422822503 1380860991 /nfs/dbraw/zinc/86/09/91/1380860991.db2.gz JEMVFBWTBMOUHS-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001422906416 1381032987 /nfs/dbraw/zinc/03/29/87/1381032987.db2.gz FVSVXEUWGDHCNR-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001422906416 1381032994 /nfs/dbraw/zinc/03/29/94/1381032994.db2.gz FVSVXEUWGDHCNR-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001422906721 1381034438 /nfs/dbraw/zinc/03/44/38/1381034438.db2.gz GUDOQPSAYWWUJH-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001422906721 1381034443 /nfs/dbraw/zinc/03/44/43/1381034443.db2.gz GUDOQPSAYWWUJH-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1)N(C)C ZINC001422913458 1381043160 /nfs/dbraw/zinc/04/31/60/1381043160.db2.gz YBNJHGGRCYXEJT-SJLPKXTDSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001422913458 1381043164 /nfs/dbraw/zinc/04/31/64/1381043164.db2.gz YBNJHGGRCYXEJT-SJLPKXTDSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1F ZINC001422913851 1381045421 /nfs/dbraw/zinc/04/54/21/1381045421.db2.gz CYSKQKUMHCBDKA-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1F ZINC001422913847 1381045825 /nfs/dbraw/zinc/04/58/25/1381045825.db2.gz CYSKQKUMHCBDKA-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929569 1381077881 /nfs/dbraw/zinc/07/78/81/1381077881.db2.gz WWVNRQUISRVTGV-RDTXFTJFSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929569 1381077886 /nfs/dbraw/zinc/07/78/86/1381077886.db2.gz WWVNRQUISRVTGV-RDTXFTJFSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422932628 1381085594 /nfs/dbraw/zinc/08/55/94/1381085594.db2.gz GYHQHVUMPLHJHZ-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422932628 1381085596 /nfs/dbraw/zinc/08/55/96/1381085596.db2.gz GYHQHVUMPLHJHZ-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001422990491 1381170448 /nfs/dbraw/zinc/17/04/48/1381170448.db2.gz HIHNWYGIYAOCLV-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001423108215 1381363432 /nfs/dbraw/zinc/36/34/32/1381363432.db2.gz SMLDUJDYLPPAGX-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423112884 1381370410 /nfs/dbraw/zinc/37/04/10/1381370410.db2.gz NFALRNJXXVXDII-MSOLQXFVSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001423151461 1381448195 /nfs/dbraw/zinc/44/81/95/1381448195.db2.gz GSGUQDLFUFZWSU-LJQANCHMSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438655288 1388721333 /nfs/dbraw/zinc/72/13/33/1388721333.db2.gz VBLMWPLQQLBAOF-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438656215 1388722244 /nfs/dbraw/zinc/72/22/44/1388722244.db2.gz XHPWMWXZKOSLJJ-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1)CC(C)(C)C ZINC001423282851 1381741581 /nfs/dbraw/zinc/74/15/81/1381741581.db2.gz VSJGEIMWFRMUNJ-UHFFFAOYSA-N 1 3 349.494 2.872 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001438692544 1388742655 /nfs/dbraw/zinc/74/26/55/1388742655.db2.gz YHBCVEHDKZZWRI-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc3ccccc32)CC1)N(C)C ZINC001423291496 1381749870 /nfs/dbraw/zinc/74/98/70/1381749870.db2.gz GJYWUOCPVINAPG-IBGZPJMESA-N 1 3 339.483 2.918 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001423386519 1381888282 /nfs/dbraw/zinc/88/82/82/1381888282.db2.gz NXMGJEUGVBOREI-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001423386523 1381889039 /nfs/dbraw/zinc/88/90/39/1381889039.db2.gz NXMGJEUGVBOREI-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001438704451 1388749778 /nfs/dbraw/zinc/74/97/78/1388749778.db2.gz COKBGGRYOLDTIZ-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC001423620747 1382178996 /nfs/dbraw/zinc/17/89/96/1382178996.db2.gz ZPQDLSBPZCKUMD-SFHVURJKSA-N 1 3 333.520 2.957 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001423684070 1382284038 /nfs/dbraw/zinc/28/40/38/1382284038.db2.gz WWSXTPDLMWXDIF-FAFZWHIHSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001423703112 1382319234 /nfs/dbraw/zinc/31/92/34/1382319234.db2.gz JGPRVMRZHQQCNH-FQEVSTJZSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001423703112 1382319239 /nfs/dbraw/zinc/31/92/39/1382319239.db2.gz JGPRVMRZHQQCNH-FQEVSTJZSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CC3)C2)c1 ZINC001423705369 1382323439 /nfs/dbraw/zinc/32/34/39/1382323439.db2.gz NATOADOAJXFZAA-OAQYLSRUSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(C)CCC[N@@H+](CC3CC3)C2)c1 ZINC001423705369 1382323448 /nfs/dbraw/zinc/32/34/48/1382323448.db2.gz NATOADOAJXFZAA-OAQYLSRUSA-N 1 3 343.515 2.990 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423932060 1382514672 /nfs/dbraw/zinc/51/46/72/1382514672.db2.gz XDZNNRIQNXRDPK-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001423952553 1382539938 /nfs/dbraw/zinc/53/99/38/1382539938.db2.gz QQYGZDCPAGFPSS-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)C/C=C\Cl)CC2)CC[N@@H+]1C ZINC001438760749 1388791664 /nfs/dbraw/zinc/79/16/64/1388791664.db2.gz BUVIHYCYECKOQL-PSQXPXBKSA-N 1 3 341.927 2.640 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC(CCN(C)C/C=C\Cl)CC2)CC[N@H+]1C ZINC001438760749 1388791666 /nfs/dbraw/zinc/79/16/66/1388791666.db2.gz BUVIHYCYECKOQL-PSQXPXBKSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1)C1CCC1 ZINC001423971568 1382572778 /nfs/dbraw/zinc/57/27/78/1382572778.db2.gz GDXMYHPFEANVDC-CALCHBBNSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1)C1CCC1 ZINC001423971568 1382572790 /nfs/dbraw/zinc/57/27/90/1382572790.db2.gz GDXMYHPFEANVDC-CALCHBBNSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001423984693 1382594439 /nfs/dbraw/zinc/59/44/39/1382594439.db2.gz JQPASUDTHYUHPN-HDICACEKSA-N 1 3 337.552 2.791 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C1 ZINC001423984693 1382594445 /nfs/dbraw/zinc/59/44/45/1382594445.db2.gz JQPASUDTHYUHPN-HDICACEKSA-N 1 3 337.552 2.791 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001438772038 1388800623 /nfs/dbraw/zinc/80/06/23/1388800623.db2.gz QCVJDSJFFWPEJU-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001438771633 1388800874 /nfs/dbraw/zinc/80/08/74/1388800874.db2.gz AXMVNVWKZCBEEY-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001438771633 1388800880 /nfs/dbraw/zinc/80/08/80/1388800880.db2.gz AXMVNVWKZCBEEY-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001438772045 1388801115 /nfs/dbraw/zinc/80/11/15/1388801115.db2.gz QCVJDSJFFWPEJU-HOCLYGCPSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CCC2)cc1 ZINC001424163094 1382812913 /nfs/dbraw/zinc/81/29/13/1382812913.db2.gz HQAQFAZYXGYYNR-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001424164572 1382813749 /nfs/dbraw/zinc/81/37/49/1382813749.db2.gz MFNLZVOLUKFKTO-SFHVURJKSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)s2)CCC1)N(C)C ZINC001424165713 1382816091 /nfs/dbraw/zinc/81/60/91/1382816091.db2.gz VJFPSSCNSLAESX-CYBMUJFWSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CC2)CCC1)N1CCCCC1 ZINC001424211479 1382870654 /nfs/dbraw/zinc/87/06/54/1382870654.db2.gz NARFLYBUSXBLDS-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)s2)CCC1)N(C)C ZINC001424227620 1382885181 /nfs/dbraw/zinc/88/51/81/1382885181.db2.gz VJFPSSCNSLAESX-ZDUSSCGKSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001438798980 1388822864 /nfs/dbraw/zinc/82/28/64/1388822864.db2.gz ABBYACDWHCSPOS-GOSISDBHSA-N 1 3 349.494 2.871 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001438798981 1388823337 /nfs/dbraw/zinc/82/33/37/1388823337.db2.gz ABBYACDWHCSPOS-SFHVURJKSA-N 1 3 349.494 2.871 20 0 EFADHO CCCN1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001424440738 1383021752 /nfs/dbraw/zinc/02/17/52/1383021752.db2.gz WDXALHMJCARUNT-UHFFFAOYSA-N 1 3 329.488 2.904 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@@H+](CCC2CC2)C3)C1 ZINC001424444382 1383025439 /nfs/dbraw/zinc/02/54/39/1383025439.db2.gz UGTLTPSVAYMIFT-MRXNPFEDSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@H+](CCC2CC2)C3)C1 ZINC001424444382 1383025444 /nfs/dbraw/zinc/02/54/44/1383025444.db2.gz UGTLTPSVAYMIFT-MRXNPFEDSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCc1ccccc1F ZINC001424485707 1383045164 /nfs/dbraw/zinc/04/51/64/1383045164.db2.gz MCZIYTRXKGMMIV-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001438819257 1388840352 /nfs/dbraw/zinc/84/03/52/1388840352.db2.gz BWYDOTBNGYQTRT-IYZIGIFBSA-N 1 3 341.927 2.688 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424659857 1383234440 /nfs/dbraw/zinc/23/44/40/1383234440.db2.gz CZRZINBMRFUXDZ-WDZFZDKYSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424659857 1383234445 /nfs/dbraw/zinc/23/44/45/1383234445.db2.gz CZRZINBMRFUXDZ-WDZFZDKYSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001424704969 1383277325 /nfs/dbraw/zinc/27/73/25/1383277325.db2.gz WJOMINPIWZVQOE-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001424704969 1383277331 /nfs/dbraw/zinc/27/73/31/1383277331.db2.gz WJOMINPIWZVQOE-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1)N(C)C ZINC001424708389 1383282539 /nfs/dbraw/zinc/28/25/39/1383282539.db2.gz NWVBPCNAKMTXPC-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001424708389 1383282544 /nfs/dbraw/zinc/28/25/44/1383282544.db2.gz NWVBPCNAKMTXPC-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001424891443 1383468429 /nfs/dbraw/zinc/46/84/29/1383468429.db2.gz UVEQZDYCJRRLOL-CQSZACIVSA-N 1 3 346.450 2.927 20 0 EFADHO Cc1cccc([C@H](C)N2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001425247684 1383563049 /nfs/dbraw/zinc/56/30/49/1383563049.db2.gz CYMRRXNAMWEHMK-IRXDYDNUSA-N 1 3 331.504 2.834 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001425557336 1383689833 /nfs/dbraw/zinc/68/98/33/1383689833.db2.gz NYQUXKKEYIWXTP-GFCCVEGCSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001425904679 1383841790 /nfs/dbraw/zinc/84/17/90/1383841790.db2.gz DYZNWLMRZCJKFJ-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1ccccc1F ZINC001425937511 1383875600 /nfs/dbraw/zinc/87/56/00/1383875600.db2.gz XJHCDJKDQSBVJR-LPHOPBHVSA-N 1 3 349.494 2.679 20 0 EFADHO C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1(C)C ZINC001426475853 1384351611 /nfs/dbraw/zinc/35/16/11/1384351611.db2.gz XIEONOKNMKLBPL-MRXNPFEDSA-N 1 3 348.491 2.542 20 0 EFADHO C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1(C)C ZINC001426475853 1384351616 /nfs/dbraw/zinc/35/16/16/1384351616.db2.gz XIEONOKNMKLBPL-MRXNPFEDSA-N 1 3 348.491 2.542 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCc1ccccc1 ZINC001438938362 1388937974 /nfs/dbraw/zinc/93/79/74/1388937974.db2.gz PAXROWXFLPQLIF-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCc1ccccc1 ZINC001438938362 1388937976 /nfs/dbraw/zinc/93/79/76/1388937976.db2.gz PAXROWXFLPQLIF-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001439061654 1388972602 /nfs/dbraw/zinc/97/26/02/1388972602.db2.gz DHBBQOFPPVEHDG-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)c1cccc(OC)c1 ZINC001433602982 1386935037 /nfs/dbraw/zinc/93/50/37/1386935037.db2.gz WXBJHLBKXPKZQD-SFHVURJKSA-N 1 3 349.519 2.973 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC001433628600 1386939833 /nfs/dbraw/zinc/93/98/33/1386939833.db2.gz BJNUFCAMTDPQPI-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2F)C1 ZINC001433628600 1386939836 /nfs/dbraw/zinc/93/98/36/1386939836.db2.gz BJNUFCAMTDPQPI-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001439118503 1389000008 /nfs/dbraw/zinc/00/00/08/1389000008.db2.gz FPCTZNSNTAXLOZ-HZPDHXFCSA-N 1 3 343.515 2.815 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001439150671 1389016396 /nfs/dbraw/zinc/01/63/96/1389016396.db2.gz ANSTVGJEVMMVQV-BEFAXECRSA-N 1 3 327.472 2.774 20 0 EFADHO COc1ccc(C)cc1C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001439250842 1389073313 /nfs/dbraw/zinc/07/33/13/1389073313.db2.gz CYLDTNQTTAJJCK-INIZCTEOSA-N 1 3 349.519 2.576 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001439276461 1389091263 /nfs/dbraw/zinc/09/12/63/1389091263.db2.gz UVFKMZRSRFBHNN-DOTOQJQBSA-N 1 3 325.541 2.883 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330653 1389149037 /nfs/dbraw/zinc/14/90/37/1389149037.db2.gz JWMVARUAQZAHFA-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330653 1389149041 /nfs/dbraw/zinc/14/90/41/1389149041.db2.gz JWMVARUAQZAHFA-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001439398976 1389242077 /nfs/dbraw/zinc/24/20/77/1389242077.db2.gz HKXQTEFNCNXUOZ-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001439398976 1389242084 /nfs/dbraw/zinc/24/20/84/1389242084.db2.gz HKXQTEFNCNXUOZ-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC001439805443 1389334450 /nfs/dbraw/zinc/33/44/50/1389334450.db2.gz LHDCZCXEFMLQNG-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CN(CC(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)CC(C)(C)C ZINC001439925449 1389355881 /nfs/dbraw/zinc/35/58/81/1389355881.db2.gz ZJIHQEYZQOOSOE-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440106381 1389388514 /nfs/dbraw/zinc/38/85/14/1389388514.db2.gz CDMQJUXMFIZFBR-CHWSQXEVSA-N 1 3 348.318 2.616 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001440217076 1389445738 /nfs/dbraw/zinc/44/57/38/1389445738.db2.gz FVWZWTHMRJNRQJ-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001440252722 1389477651 /nfs/dbraw/zinc/47/76/51/1389477651.db2.gz PBJSIFXPLPEOIP-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001440252722 1389477656 /nfs/dbraw/zinc/47/76/56/1389477656.db2.gz PBJSIFXPLPEOIP-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCC1)N(C)C ZINC001440314227 1389526305 /nfs/dbraw/zinc/52/63/05/1389526305.db2.gz UZJWGDYSLJJXCI-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)cs1 ZINC001440316952 1389528348 /nfs/dbraw/zinc/52/83/48/1389528348.db2.gz ASCFUGBJYZEYLN-UHFFFAOYSA-N 1 3 335.517 2.669 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001440325137 1389537284 /nfs/dbraw/zinc/53/72/84/1389537284.db2.gz XDQRCRPIDLLFIM-OAGGEKHMSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)CC1 ZINC001440393591 1389589943 /nfs/dbraw/zinc/58/99/43/1389589943.db2.gz CAUKCEQRBRXAGD-KRWDZBQOSA-N 1 3 337.533 2.869 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2csc(C)c2)CC1 ZINC001440393591 1389589947 /nfs/dbraw/zinc/58/99/47/1389589947.db2.gz CAUKCEQRBRXAGD-KRWDZBQOSA-N 1 3 337.533 2.869 20 0 EFADHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001440477559 1389684481 /nfs/dbraw/zinc/68/44/81/1389684481.db2.gz DEXAGENTOQIJGN-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001440477559 1389684483 /nfs/dbraw/zinc/68/44/83/1389684483.db2.gz DEXAGENTOQIJGN-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440642660 1389793638 /nfs/dbraw/zinc/79/36/38/1389793638.db2.gz ALEYWPRCYGDPMN-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440642660 1389793642 /nfs/dbraw/zinc/79/36/42/1389793642.db2.gz ALEYWPRCYGDPMN-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1cccs1 ZINC001440648146 1389796924 /nfs/dbraw/zinc/79/69/24/1389796924.db2.gz INFAEHPMIGZHCT-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1cccs1 ZINC001440648146 1389796929 /nfs/dbraw/zinc/79/69/29/1389796929.db2.gz INFAEHPMIGZHCT-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001440651367 1389798974 /nfs/dbraw/zinc/79/89/74/1389798974.db2.gz TVLZZOSEVXQDIR-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001440651367 1389798978 /nfs/dbraw/zinc/79/89/78/1389798978.db2.gz TVLZZOSEVXQDIR-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](CCF)CC2)CC(C)(C)C ZINC001440690616 1389820184 /nfs/dbraw/zinc/82/01/84/1389820184.db2.gz HPHHJWIDSDEBQJ-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001440704781 1389827856 /nfs/dbraw/zinc/82/78/56/1389827856.db2.gz ZIXPPQSZVIURNC-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001440704781 1389827859 /nfs/dbraw/zinc/82/78/59/1389827859.db2.gz ZIXPPQSZVIURNC-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001440941740 1390030546 /nfs/dbraw/zinc/03/05/46/1390030546.db2.gz VTHQHIZLNOHXRT-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001440941740 1390030554 /nfs/dbraw/zinc/03/05/54/1390030554.db2.gz VTHQHIZLNOHXRT-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001441043501 1391058286 /nfs/dbraw/zinc/05/82/86/1391058286.db2.gz NOJDXMLSDPIHOQ-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001441155012 1391151045 /nfs/dbraw/zinc/15/10/45/1391151045.db2.gz KFSMAKUKEXWROW-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001441155012 1391151047 /nfs/dbraw/zinc/15/10/47/1391151047.db2.gz KFSMAKUKEXWROW-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001441374176 1391271061 /nfs/dbraw/zinc/27/10/61/1391271061.db2.gz PMRFVMKUDBBCKQ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001441374176 1391271065 /nfs/dbraw/zinc/27/10/65/1391271065.db2.gz PMRFVMKUDBBCKQ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001441392391 1391279832 /nfs/dbraw/zinc/27/98/32/1391279832.db2.gz GKJGMKWKFDIWKF-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001441392391 1391279834 /nfs/dbraw/zinc/27/98/34/1391279834.db2.gz GKJGMKWKFDIWKF-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC(F)(F)F)C2)c1 ZINC001441441370 1391309988 /nfs/dbraw/zinc/30/99/88/1391309988.db2.gz QEIFYJNXWFQNKY-SHTZXODSSA-N 1 3 343.393 2.551 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCc2ccccc2)CC1 ZINC001506954085 1406494532 /nfs/dbraw/zinc/49/45/32/1406494532.db2.gz ARBABMOETVIBIY-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC001506954085 1406494540 /nfs/dbraw/zinc/49/45/40/1406494540.db2.gz ARBABMOETVIBIY-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H](C(=O)NCC1CN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001443617056 1391453659 /nfs/dbraw/zinc/45/36/59/1391453659.db2.gz BWEWOLBAHVPTIE-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001444216123 1391462446 /nfs/dbraw/zinc/46/24/46/1391462446.db2.gz DSPQBOOVOPHERT-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO CC1CC(C[NH+]2CCC(CCNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001444227953 1391464616 /nfs/dbraw/zinc/46/46/16/1391464616.db2.gz FQCATAWNQKLZHQ-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001444306980 1391469563 /nfs/dbraw/zinc/46/95/63/1391469563.db2.gz KGLFIXAHSCPAGQ-KXBFYZLASA-N 1 3 349.494 2.850 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H]2CCN2CCCc2ccccc2)CC1 ZINC001446090712 1391547944 /nfs/dbraw/zinc/54/79/44/1391547944.db2.gz AGTVMDFLSMAXRB-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1ccc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)cc1F ZINC001446291557 1391552406 /nfs/dbraw/zinc/55/24/06/1391552406.db2.gz BYWDQUDHYMPJSE-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001446698747 1391587981 /nfs/dbraw/zinc/58/79/81/1391587981.db2.gz WWGWMHGADSMZTO-FQEVSTJZSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001446698747 1391587984 /nfs/dbraw/zinc/58/79/84/1391587984.db2.gz WWGWMHGADSMZTO-FQEVSTJZSA-N 1 3 331.504 2.990 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001446984254 1391652303 /nfs/dbraw/zinc/65/23/03/1391652303.db2.gz CPXJWYLLTCPXLY-WCIQWLHISA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001446984254 1391652306 /nfs/dbraw/zinc/65/23/06/1391652306.db2.gz CPXJWYLLTCPXLY-WCIQWLHISA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001447078999 1391693331 /nfs/dbraw/zinc/69/33/31/1391693331.db2.gz KFLIRDMOILDDPI-QFBILLFUSA-N 1 3 340.471 2.932 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC001448048976 1391916099 /nfs/dbraw/zinc/91/60/99/1391916099.db2.gz XDXYKZATMTYVPV-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001448048976 1391916104 /nfs/dbraw/zinc/91/61/04/1391916104.db2.gz XDXYKZATMTYVPV-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CN(C)CC(C)(C)C ZINC001449028667 1392218894 /nfs/dbraw/zinc/21/88/94/1392218894.db2.gz NXZVEVMFOQSBRF-DZGCQCFKSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001507150816 1406772790 /nfs/dbraw/zinc/77/27/90/1406772790.db2.gz CWCHDRXDQIHIQJ-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001507153126 1406777292 /nfs/dbraw/zinc/77/72/92/1406777292.db2.gz PBYCXGYGUINUCB-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100333 1396289694 /nfs/dbraw/zinc/28/96/94/1396289694.db2.gz HQMGRYNEXFTPTM-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100333 1396289698 /nfs/dbraw/zinc/28/96/98/1396289698.db2.gz HQMGRYNEXFTPTM-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(-c2ccccc2)nc1 ZINC001461341547 1396371591 /nfs/dbraw/zinc/37/15/91/1396371591.db2.gz BYUAYWYGDTVLOH-SFHVURJKSA-N 1 3 328.460 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001507291913 1406856116 /nfs/dbraw/zinc/85/61/16/1406856116.db2.gz GCBODJGXOUBUEK-MAUKXSAKSA-N 1 3 335.467 2.577 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001507292982 1406858301 /nfs/dbraw/zinc/85/83/01/1406858301.db2.gz NCJNMYBEIAVMFR-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507295758 1406860039 /nfs/dbraw/zinc/86/00/39/1406860039.db2.gz DWSWZHMAQKYOOR-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470599248 1397102001 /nfs/dbraw/zinc/10/20/01/1397102001.db2.gz QEBQRHNKDYBNEU-IBGZPJMESA-N 1 3 338.455 2.738 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470599248 1397102004 /nfs/dbraw/zinc/10/20/04/1397102004.db2.gz QEBQRHNKDYBNEU-IBGZPJMESA-N 1 3 338.455 2.738 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCCN1C)CC(C)C ZINC001477435183 1397534380 /nfs/dbraw/zinc/53/43/80/1397534380.db2.gz BBWCMEPZQXYONO-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCCN1C)CC(C)C ZINC001477435180 1397534143 /nfs/dbraw/zinc/53/41/43/1397534143.db2.gz BBWCMEPZQXYONO-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC001477866446 1397554385 /nfs/dbraw/zinc/55/43/85/1397554385.db2.gz HJSOIVWXYHOSOL-MRXNPFEDSA-N 1 3 340.556 2.869 20 0 EFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001478537760 1397583382 /nfs/dbraw/zinc/58/33/82/1397583382.db2.gz ZLCRYUICLMLHKY-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001478537760 1397583385 /nfs/dbraw/zinc/58/33/85/1397583385.db2.gz ZLCRYUICLMLHKY-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001479298456 1397671040 /nfs/dbraw/zinc/67/10/40/1397671040.db2.gz BNFYLJKSWFROHR-RHNCMZPLSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001479341047 1397695726 /nfs/dbraw/zinc/69/57/26/1397695726.db2.gz ZIJIJZZTVPNIHS-MAEOIBBWSA-N 1 3 340.471 2.562 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001479392005 1397712902 /nfs/dbraw/zinc/71/29/02/1397712902.db2.gz QXYYVZORQGONQM-JYJNAYRXSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001480024186 1398100087 /nfs/dbraw/zinc/10/00/87/1398100087.db2.gz RMTNHJPCKBQHHA-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001480079770 1398114204 /nfs/dbraw/zinc/11/42/04/1398114204.db2.gz PFLMNFJHVDLHAS-GEZBDVBVSA-N 1 3 339.911 2.538 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001480156626 1398131599 /nfs/dbraw/zinc/13/15/99/1398131599.db2.gz OBJRRWQJNLOWKL-QWFCFKBJSA-N 1 3 345.531 2.935 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001480168620 1398139132 /nfs/dbraw/zinc/13/91/32/1398139132.db2.gz RHWWRMPTWXDWSN-FHWLQOOXSA-N 1 3 349.494 2.581 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001480573617 1398216909 /nfs/dbraw/zinc/21/69/09/1398216909.db2.gz IIQOTWSJFLPLTI-CJNGLKHVSA-N 1 3 325.884 2.583 20 0 EFADHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001480623882 1398253959 /nfs/dbraw/zinc/25/39/59/1398253959.db2.gz VZTWNZVWQVFHSJ-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001480697772 1398290854 /nfs/dbraw/zinc/29/08/54/1398290854.db2.gz NZCDKOCCIIQIIZ-LSDHHAIUSA-N 1 3 343.462 2.533 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001480711392 1398303344 /nfs/dbraw/zinc/30/33/44/1398303344.db2.gz LMKOLYHYSNJLPC-MSOLQXFVSA-N 1 3 347.503 2.554 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2nc[nH]c2C)cc1 ZINC001480805360 1398324654 /nfs/dbraw/zinc/32/46/54/1398324654.db2.gz PVIDALOXUBTSES-CQSZACIVSA-N 1 3 328.460 2.508 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001493009899 1398355944 /nfs/dbraw/zinc/35/59/44/1398355944.db2.gz QHBHAWLXHKQDCF-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCc2ccc(F)cc21 ZINC001493009894 1398356489 /nfs/dbraw/zinc/35/64/89/1398356489.db2.gz QHBHAWLXHKQDCF-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001493023920 1398368027 /nfs/dbraw/zinc/36/80/27/1398368027.db2.gz YACHDMQZVKNKKA-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001493023920 1398368029 /nfs/dbraw/zinc/36/80/29/1398368029.db2.gz YACHDMQZVKNKKA-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1Cc1cc2ccccc2o1 ZINC001493131397 1398468392 /nfs/dbraw/zinc/46/83/92/1398468392.db2.gz ZRNWRTVKIKVIBX-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001493592672 1398766643 /nfs/dbraw/zinc/76/66/43/1398766643.db2.gz VHXLSCZLDMYYOT-MRXNPFEDSA-N 1 3 325.884 2.537 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC001493695469 1398814648 /nfs/dbraw/zinc/81/46/48/1398814648.db2.gz REXZUHUILJHMIA-SJORKVTESA-N 1 3 343.515 2.626 20 0 EFADHO CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001493959395 1399009386 /nfs/dbraw/zinc/00/93/86/1399009386.db2.gz FVZSLCBZDPLECZ-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CC/C=C\c2ccccc2)C1)C1CCC1 ZINC001494558666 1399378043 /nfs/dbraw/zinc/37/80/43/1399378043.db2.gz HROKDPVMOLBORG-YHYXMXQVSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001494599909 1399396966 /nfs/dbraw/zinc/39/69/66/1399396966.db2.gz ZJBYAJHCFCWCBK-UHFFFAOYSA-N 1 3 343.515 2.583 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1C ZINC001494675828 1399426737 /nfs/dbraw/zinc/42/67/37/1399426737.db2.gz PRMXLLRLRDKFBZ-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1C ZINC001494675828 1399426740 /nfs/dbraw/zinc/42/67/40/1399426740.db2.gz PRMXLLRLRDKFBZ-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001495378578 1399924970 /nfs/dbraw/zinc/92/49/70/1399924970.db2.gz KUBJMKXFRNRARN-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001495430478 1399974446 /nfs/dbraw/zinc/97/44/46/1399974446.db2.gz QKIJYWGTRUWDLN-KRWDZBQOSA-N 1 3 337.533 2.807 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCCC1CCN(C/C=C\Cl)CC1 ZINC001495541208 1400072300 /nfs/dbraw/zinc/07/23/00/1400072300.db2.gz WKUXBHPVSZDXAY-WTKPLQERSA-N 1 3 341.927 2.833 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001495670547 1400155035 /nfs/dbraw/zinc/15/50/35/1400155035.db2.gz ZGSASBQNLAHYNP-MJGOQNOKSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)N(C)C(=O)CCC[NH+](C)C ZINC001496141290 1400496327 /nfs/dbraw/zinc/49/63/27/1400496327.db2.gz BEGXEUAVXYKTBT-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001496325207 1400641197 /nfs/dbraw/zinc/64/11/97/1400641197.db2.gz HJVNPFZAMSAFNR-GSQSYGFSSA-N 1 3 346.519 2.961 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001496370366 1400678912 /nfs/dbraw/zinc/67/89/12/1400678912.db2.gz UJDGMLGJVRAAGR-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001496370095 1400678985 /nfs/dbraw/zinc/67/89/85/1400678985.db2.gz MPZJITWGYFOWMO-NQGACDCQSA-N 1 3 349.906 2.941 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001496446618 1400736783 /nfs/dbraw/zinc/73/67/83/1400736783.db2.gz FONBMNOWYPDAPT-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001496560802 1400827515 /nfs/dbraw/zinc/82/75/15/1400827515.db2.gz DELZLGRUUUSNCQ-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccnc1 ZINC001496561126 1400828021 /nfs/dbraw/zinc/82/80/21/1400828021.db2.gz IVHXASNEQGXCOD-SFHVURJKSA-N 1 3 346.519 2.577 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717104 1400939153 /nfs/dbraw/zinc/93/91/53/1400939153.db2.gz GCWOGQQLADYBJP-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717104 1400939156 /nfs/dbraw/zinc/93/91/56/1400939156.db2.gz GCWOGQQLADYBJP-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001497204351 1401217788 /nfs/dbraw/zinc/21/77/88/1401217788.db2.gz BWMYKAANICOZEW-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001497216887 1401224823 /nfs/dbraw/zinc/22/48/23/1401224823.db2.gz SMFADABFYBBTAN-MLGOLLRUSA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001497611995 1401493140 /nfs/dbraw/zinc/49/31/40/1401493140.db2.gz RAENWQTXZNFZPG-OSFIAYCASA-N 1 3 349.906 2.930 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001497827684 1401680062 /nfs/dbraw/zinc/68/00/62/1401680062.db2.gz NKHAFCOHOWBOBF-QGZVFWFLSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498331069 1402014422 /nfs/dbraw/zinc/01/44/22/1402014422.db2.gz QAVYUIVVCSXULV-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001498381068 1402055466 /nfs/dbraw/zinc/05/54/66/1402055466.db2.gz MLXGAMFUUOMODP-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001498381068 1402055474 /nfs/dbraw/zinc/05/54/74/1402055474.db2.gz MLXGAMFUUOMODP-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)CC[NH+]1CCCCC1 ZINC001498457569 1402119186 /nfs/dbraw/zinc/11/91/86/1402119186.db2.gz RXIHIVZIWFYZIP-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H](CNCc1ccccc1F)C(C)(C)C ZINC001508004065 1407238751 /nfs/dbraw/zinc/23/87/51/1407238751.db2.gz QXDQJMGAJKPTIE-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001498822986 1402315074 /nfs/dbraw/zinc/31/50/74/1402315074.db2.gz WALAWTQOZNZAGK-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001499048276 1402442889 /nfs/dbraw/zinc/44/28/89/1402442889.db2.gz OKXLSFYDKLZBHQ-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC1CCC(F)(F)CC1 ZINC001499107867 1402474240 /nfs/dbraw/zinc/47/42/40/1402474240.db2.gz VMXXNWNQWPOKFU-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC1CCC(F)(F)CC1 ZINC001499107867 1402474242 /nfs/dbraw/zinc/47/42/42/1402474242.db2.gz VMXXNWNQWPOKFU-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001499228899 1402529369 /nfs/dbraw/zinc/52/93/69/1402529369.db2.gz LRFMEWRRFGOLSH-HGZZYMOZSA-N 1 3 339.911 2.632 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001499228899 1402529373 /nfs/dbraw/zinc/52/93/73/1402529373.db2.gz LRFMEWRRFGOLSH-HGZZYMOZSA-N 1 3 339.911 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2CC)CC1 ZINC001499243597 1402534936 /nfs/dbraw/zinc/53/49/36/1402534936.db2.gz KDQWKKPPSYMXOS-IBGZPJMESA-N 1 3 343.515 2.862 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001499324816 1402566162 /nfs/dbraw/zinc/56/61/62/1402566162.db2.gz NVHQXKIZJQZOOP-YLBKJFSISA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001499324816 1402566163 /nfs/dbraw/zinc/56/61/63/1402566163.db2.gz NVHQXKIZJQZOOP-YLBKJFSISA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001499324776 1402566229 /nfs/dbraw/zinc/56/62/29/1402566229.db2.gz NVHQXKIZJQZOOP-WQRDJFRPSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001499324776 1402566234 /nfs/dbraw/zinc/56/62/34/1402566234.db2.gz NVHQXKIZJQZOOP-WQRDJFRPSA-N 1 3 339.911 2.774 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)cc1F ZINC001499352104 1402577721 /nfs/dbraw/zinc/57/77/21/1402577721.db2.gz KDGKJPYGHAPUPT-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001500354136 1403070504 /nfs/dbraw/zinc/07/05/04/1403070504.db2.gz LKHFTGNSDVYKPD-HXUWFJFHSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051370 1403420944 /nfs/dbraw/zinc/42/09/44/1403420944.db2.gz VLZWJUWPWFFPPF-CHWSQXEVSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001501084321 1403434602 /nfs/dbraw/zinc/43/46/02/1403434602.db2.gz TYUMISSRDLXEFZ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@@H]2C1 ZINC001501240410 1403509110 /nfs/dbraw/zinc/50/91/10/1403509110.db2.gz MIJYYNVHHMMFTO-HSALFYBXSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@@H]2C1 ZINC001501240410 1403509116 /nfs/dbraw/zinc/50/91/16/1403509116.db2.gz MIJYYNVHHMMFTO-HSALFYBXSA-N 1 3 343.515 2.870 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001501637065 1403659629 /nfs/dbraw/zinc/65/96/29/1403659629.db2.gz AWLQYPNRBUFBGL-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CCC1)C1CCC1 ZINC001501962376 1403909067 /nfs/dbraw/zinc/90/90/67/1403909067.db2.gz VBJININLWJKQSJ-UHFFFAOYSA-N 1 3 349.906 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001502339349 1404082558 /nfs/dbraw/zinc/08/25/58/1404082558.db2.gz CXNGPWCJUOLVLV-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001502339349 1404082561 /nfs/dbraw/zinc/08/25/61/1404082561.db2.gz CXNGPWCJUOLVLV-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1cccs1 ZINC001505458998 1404675855 /nfs/dbraw/zinc/67/58/55/1404675855.db2.gz IALQFBZBFJETIA-INIZCTEOSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1cccs1 ZINC001505458998 1404675863 /nfs/dbraw/zinc/67/58/63/1404675863.db2.gz IALQFBZBFJETIA-INIZCTEOSA-N 1 3 337.533 2.555 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccccc1C1CC1 ZINC001505988723 1405310708 /nfs/dbraw/zinc/31/07/08/1405310708.db2.gz MPPINMYXDYSOBY-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cc2ccccc2o1 ZINC001505990528 1405313343 /nfs/dbraw/zinc/31/33/43/1405313343.db2.gz GGJRAXUMAPMYHV-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)CCc1ccccc1F ZINC001506065217 1405425099 /nfs/dbraw/zinc/42/50/99/1405425099.db2.gz LQIAMUKEGJNQDA-KRWDZBQOSA-N 1 3 349.494 2.681 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCCC2CCCC2)C1)N(C)C ZINC001506649939 1406098266 /nfs/dbraw/zinc/09/82/66/1406098266.db2.gz KPNZCYAGAMCGRW-VQIMIIECSA-N 1 3 337.552 2.980 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001506650941 1406101519 /nfs/dbraw/zinc/10/15/19/1406101519.db2.gz RAUAULGITKFTLG-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001506742126 1406233323 /nfs/dbraw/zinc/23/33/23/1406233323.db2.gz OFNCRAXWRFUZCT-MSOLQXFVSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001506742126 1406233328 /nfs/dbraw/zinc/23/33/28/1406233328.db2.gz OFNCRAXWRFUZCT-MSOLQXFVSA-N 1 3 335.536 2.900 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC(C)([NH3+])CC3)C2)cc1 ZINC001550751990 1413717324 /nfs/dbraw/zinc/71/73/24/1413717324.db2.gz SKPAJYDSVKIQDR-QPIRBTGLSA-N 1 3 344.503 2.529 20 0 EFADHO CO[C@@H]1C[C@H]2C[C@H]([NH2+]C3CCC(C)(N4CCOCC4)CC3)C[C@H]2C1 ZINC001551237966 1413969583 /nfs/dbraw/zinc/96/95/83/1413969583.db2.gz DDKUPCQPTGMOFO-YCRBLSFPSA-N 1 3 336.520 2.813 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C12CCC2 ZINC001551238430 1413970117 /nfs/dbraw/zinc/97/01/17/1413970117.db2.gz SMAZVQPSOIPBSM-QGLXBCBXSA-N 1 3 336.520 2.957 20 0 EFADHO COC1C[C@@H]2CC([NH2+]C3CCC(C)(N4CCOCC4)CC3)C[C@H]2C1 ZINC001551237965 1413970135 /nfs/dbraw/zinc/97/01/35/1413970135.db2.gz DDKUPCQPTGMOFO-VPWCILEZSA-N 1 3 336.520 2.813 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(CO)c1 ZINC001551387549 1414054287 /nfs/dbraw/zinc/05/42/87/1414054287.db2.gz CAXMOUNTBBVMRN-PBPGXSGUSA-N 1 3 332.488 2.863 20 0 EFADHO [NH3+]C1CC(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001551402717 1414063654 /nfs/dbraw/zinc/06/36/54/1414063654.db2.gz NLDBTWWJHMCKSW-UHFFFAOYSA-N 1 3 336.892 2.809 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001551892525 1414267198 /nfs/dbraw/zinc/26/71/98/1414267198.db2.gz HCKWRXLVKWORRE-FQEVSTJZSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552231184 1414382784 /nfs/dbraw/zinc/38/27/84/1414382784.db2.gz AVRXJFYFLPFDOV-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552231184 1414382791 /nfs/dbraw/zinc/38/27/91/1414382791.db2.gz AVRXJFYFLPFDOV-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@H]3C[C@@H](Oc4ccccc4)C3(C)C)c2C1 ZINC001552256394 1414395351 /nfs/dbraw/zinc/39/53/51/1414395351.db2.gz KUPDYBNOBNCWDU-RBUKOAKNSA-N 1 3 340.471 2.664 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@@H]3C[C@H](Oc4ccccc4)C3(C)C)c2C1 ZINC001552256391 1414395502 /nfs/dbraw/zinc/39/55/02/1414395502.db2.gz KUPDYBNOBNCWDU-MOPGFXCFSA-N 1 3 340.471 2.664 20 0 EFADHO CCn1cc([C@H]2OCC[C@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC001552376929 1414442964 /nfs/dbraw/zinc/44/29/64/1414442964.db2.gz BAYBMXIEFGWGNM-JXFKEZNVSA-N 1 3 346.519 2.977 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC001552376932 1414443151 /nfs/dbraw/zinc/44/31/51/1414443151.db2.gz BAYBMXIEFGWGNM-OXQOHEQNSA-N 1 3 346.519 2.977 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552374896 1414443191 /nfs/dbraw/zinc/44/31/91/1414443191.db2.gz BFQACHKVSVBZDX-APWZRJJASA-N 1 3 334.508 2.598 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC001552374900 1414443486 /nfs/dbraw/zinc/44/34/86/1414443486.db2.gz BFQACHKVSVBZDX-VQIMIIECSA-N 1 3 334.508 2.598 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001552523924 1414477466 /nfs/dbraw/zinc/47/74/66/1414477466.db2.gz IFODLXLHVNTWQR-GUDVDZBRSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552523924 1414477469 /nfs/dbraw/zinc/47/74/69/1414477469.db2.gz IFODLXLHVNTWQR-GUDVDZBRSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552523924 1414477471 /nfs/dbraw/zinc/47/74/71/1414477471.db2.gz IFODLXLHVNTWQR-GUDVDZBRSA-N 1 3 346.519 2.696 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001552525893 1414479639 /nfs/dbraw/zinc/47/96/39/1414479639.db2.gz IJUDGGMYCWUUKS-FTEYMNFISA-N 1 3 346.519 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC001552525893 1414479641 /nfs/dbraw/zinc/47/96/41/1414479641.db2.gz IJUDGGMYCWUUKS-FTEYMNFISA-N 1 3 346.519 2.787 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552777026 1414554356 /nfs/dbraw/zinc/55/43/56/1414554356.db2.gz YRYLENVUKZZJLJ-VQIMIIECSA-N 1 3 346.519 2.977 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@]23CCC[C@@H]2[NH2+]CC3)N(C)C)cc1 ZINC001552828947 1414575952 /nfs/dbraw/zinc/57/59/52/1414575952.db2.gz JMTKUDOPDDUBHJ-BJLQDIEVSA-N 1 3 329.488 2.500 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552829308 1414576552 /nfs/dbraw/zinc/57/65/52/1414576552.db2.gz PBMOBUNOLMCLIJ-UWWQBHOKSA-N 1 3 333.501 2.533 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001552834434 1414578573 /nfs/dbraw/zinc/57/85/73/1414578573.db2.gz FFEOXMDOMSOAAZ-GUDVDZBRSA-N 1 3 346.519 2.931 20 0 EFADHO C[C@H](NC(=O)NC1(C2CC[NH2+]CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC001553480769 1414833808 /nfs/dbraw/zinc/83/38/08/1414833808.db2.gz IMKKXEISVGSSHT-MAUKXSAKSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001645885606 1416579719 /nfs/dbraw/zinc/57/97/19/1416579719.db2.gz XZHXJBOIXCPCTN-DNVCBOLYSA-N 1 3 344.503 2.631 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC001646028505 1416603162 /nfs/dbraw/zinc/60/31/62/1416603162.db2.gz JVPXXSPCYCHTLA-IRXDYDNUSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC001646028505 1416603165 /nfs/dbraw/zinc/60/31/65/1416603165.db2.gz JVPXXSPCYCHTLA-IRXDYDNUSA-N 1 3 337.508 2.660 20 0 EFADHO CCOc1c(OC)cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1OC ZINC000101591894 1416722364 /nfs/dbraw/zinc/72/23/64/1416722364.db2.gz VGEDPZHIMSTGHZ-CQSZACIVSA-N 1 3 334.460 2.676 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000125756091 1417177703 /nfs/dbraw/zinc/17/77/03/1417177703.db2.gz SWZPPNWBBTUJKU-INIZCTEOSA-N 1 3 333.476 2.594 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136604833 1417301172 /nfs/dbraw/zinc/30/11/72/1417301172.db2.gz IWTZYHOJVCDEQM-WOJBJXKFSA-N 1 3 332.488 2.943 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC(F)(F)F)CC1 ZINC001713267104 1418433838 /nfs/dbraw/zinc/43/38/38/1418433838.db2.gz IPCAXUDGZJECPG-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001717145363 1419236295 /nfs/dbraw/zinc/23/62/95/1419236295.db2.gz MNTKVZAXNWUECI-LOWQCSRCSA-N 1 3 329.916 2.688 20 0 EFADHO CCc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001724724326 1424943327 /nfs/dbraw/zinc/94/33/27/1424943327.db2.gz ULURCEDTRMCAHG-QUCCMNQESA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001725031339 1425240327 /nfs/dbraw/zinc/24/03/27/1425240327.db2.gz DOFFHDYDYYFUSP-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144332 712933531 /nfs/dbraw/zinc/93/35/31/712933531.db2.gz JTLNQJIJLJCBIC-IRXDYDNUSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144332 712933532 /nfs/dbraw/zinc/93/35/32/712933532.db2.gz JTLNQJIJLJCBIC-IRXDYDNUSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144289 712933011 /nfs/dbraw/zinc/93/30/11/712933011.db2.gz IUUURIABMVBICX-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144289 712933014 /nfs/dbraw/zinc/93/30/14/712933014.db2.gz IUUURIABMVBICX-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001020512356 713094581 /nfs/dbraw/zinc/09/45/81/713094581.db2.gz XRCORVCNEWGEJR-LAQRGFTBSA-N 1 3 347.478 2.601 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001020512356 713094582 /nfs/dbraw/zinc/09/45/82/713094582.db2.gz XRCORVCNEWGEJR-LAQRGFTBSA-N 1 3 347.478 2.601 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC000969588176 713180000 /nfs/dbraw/zinc/18/00/00/713180000.db2.gz FWESAZQEDIGZNA-KZNAEPCWSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000969652019 713204734 /nfs/dbraw/zinc/20/47/34/713204734.db2.gz CWWLDZXNVSFJRZ-FXAWDEMLSA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969653268 713205601 /nfs/dbraw/zinc/20/56/01/713205601.db2.gz IWDLEIKYAJZQLA-APWZRJJASA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000969653880 713206090 /nfs/dbraw/zinc/20/60/90/713206090.db2.gz NJPDCCKDZBITGR-YJBOKZPZSA-N 1 3 349.544 2.600 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969655706 713206671 /nfs/dbraw/zinc/20/66/71/713206671.db2.gz ZYSMGMXMVGBTQT-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC000969688986 713219350 /nfs/dbraw/zinc/21/93/50/713219350.db2.gz GOEZDQSSAWDAOQ-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC000969688986 713219353 /nfs/dbraw/zinc/21/93/53/713219353.db2.gz GOEZDQSSAWDAOQ-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969698636 713222729 /nfs/dbraw/zinc/22/27/29/713222729.db2.gz FREKSNUCKGEXSN-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969698636 713222732 /nfs/dbraw/zinc/22/27/32/713222732.db2.gz FREKSNUCKGEXSN-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969698869 713222774 /nfs/dbraw/zinc/22/27/74/713222774.db2.gz GDMGJWYKVBXILK-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969698869 713222777 /nfs/dbraw/zinc/22/27/77/713222777.db2.gz GDMGJWYKVBXILK-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c1 ZINC000969700541 713223388 /nfs/dbraw/zinc/22/33/88/713223388.db2.gz QLSCZWNCGRRHBC-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c1 ZINC000969700541 713223390 /nfs/dbraw/zinc/22/33/90/713223390.db2.gz QLSCZWNCGRRHBC-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969704925 713223981 /nfs/dbraw/zinc/22/39/81/713223981.db2.gz SLIHRRHGJRCIBZ-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969704925 713223984 /nfs/dbraw/zinc/22/39/84/713223984.db2.gz SLIHRRHGJRCIBZ-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969794498 713262770 /nfs/dbraw/zinc/26/27/70/713262770.db2.gz WHWCOFFSUQHBHW-MAUKXSAKSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001020585099 713264894 /nfs/dbraw/zinc/26/48/94/713264894.db2.gz HQHNEZURXVHGMB-BHIYHBOVSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001020586046 713265382 /nfs/dbraw/zinc/26/53/82/713265382.db2.gz CQZGCHRPHLVYTF-GUDVDZBRSA-N 1 3 343.515 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001020586017 713265395 /nfs/dbraw/zinc/26/53/95/713265395.db2.gz CHCFZUDOEGPPOS-BPUTZDHNSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001020587689 713266637 /nfs/dbraw/zinc/26/66/37/713266637.db2.gz QRALHHAKQUGUDX-PSBWJHGTSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001020586566 713267396 /nfs/dbraw/zinc/26/73/96/713267396.db2.gz RFJDVAQDQALMCT-USJZOSNVSA-N 1 3 333.451 2.608 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020590501 713268252 /nfs/dbraw/zinc/26/82/52/713268252.db2.gz YRSJNLMAZBKFHL-BHIYHBOVSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001020589780 713268764 /nfs/dbraw/zinc/26/87/64/713268764.db2.gz CEEJODPXKQRGIA-SZMVWBNQSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001020590133 713268937 /nfs/dbraw/zinc/26/89/37/713268937.db2.gz NAEGCABSYULWRR-USJZOSNVSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592308 713269530 /nfs/dbraw/zinc/26/95/30/713269530.db2.gz BONXDJTUKVUTAE-JKQORVJESA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592308 713269531 /nfs/dbraw/zinc/26/95/31/713269531.db2.gz BONXDJTUKVUTAE-JKQORVJESA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001020591189 713269732 /nfs/dbraw/zinc/26/97/32/713269732.db2.gz GUMGLDPPIRBLIK-QAQDUYKDSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001020591396 713269894 /nfs/dbraw/zinc/26/98/94/713269894.db2.gz MQZAEKCIYMIQRX-KBAYOESNSA-N 1 3 329.488 2.716 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001020591490 713270123 /nfs/dbraw/zinc/27/01/23/713270123.db2.gz PAPHOJWTGZCSHD-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001020591922 713270166 /nfs/dbraw/zinc/27/01/66/713270166.db2.gz WTACOZZBOHBRCP-WKILWMFISA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832593 713276988 /nfs/dbraw/zinc/27/69/88/713276988.db2.gz HYZUOJLJSKUOLT-PKOBYXMFSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832593 713276989 /nfs/dbraw/zinc/27/69/89/713276989.db2.gz HYZUOJLJSKUOLT-PKOBYXMFSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969845266 713280085 /nfs/dbraw/zinc/28/00/85/713280085.db2.gz XTHARYCPQZDKDB-ZTFGCOKTSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969844595 713280960 /nfs/dbraw/zinc/28/09/60/713280960.db2.gz KIYWRQYXIQNWGC-ZTFGCOKTSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000969844795 713281283 /nfs/dbraw/zinc/28/12/83/713281283.db2.gz PVRBFPLJUCFJLV-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969951788 713322100 /nfs/dbraw/zinc/32/21/00/713322100.db2.gz QVJSRTUMTDQRKL-JKSUJKDBSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000969951788 713322102 /nfs/dbraw/zinc/32/21/02/713322102.db2.gz QVJSRTUMTDQRKL-JKSUJKDBSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969965716 713325013 /nfs/dbraw/zinc/32/50/13/713325013.db2.gz VFARYYJYDWRWIS-GOSISDBHSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969964019 713326310 /nfs/dbraw/zinc/32/63/10/713326310.db2.gz BBUPQKBRIPPMRH-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000969965833 713327675 /nfs/dbraw/zinc/32/76/75/713327675.db2.gz ZDINJKQKGATGBP-QGZVFWFLSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC000969990714 713336368 /nfs/dbraw/zinc/33/63/68/713336368.db2.gz YNAHDDFYHPTTRT-MJGOQNOKSA-N 1 3 347.503 2.505 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2csc(C)c2)CC[N@@H+]1C ZINC001027893150 717894151 /nfs/dbraw/zinc/89/41/51/717894151.db2.gz NZJBBPNCFSKVDY-OKZBNKHCSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2csc(C)c2)CC[N@H+]1C ZINC001027893150 717894154 /nfs/dbraw/zinc/89/41/54/717894154.db2.gz NZJBBPNCFSKVDY-OKZBNKHCSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001020932874 713443294 /nfs/dbraw/zinc/44/32/94/713443294.db2.gz XAZNMRQNFULJNP-RBSFLKMASA-N 1 3 347.890 2.734 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001020932872 713443332 /nfs/dbraw/zinc/44/33/32/713443332.db2.gz XAZNMRQNFULJNP-KKUMJFAQSA-N 1 3 347.890 2.734 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001020981274 713466343 /nfs/dbraw/zinc/46/63/43/713466343.db2.gz DHEPOQZEECJSRD-DJIMGWMZSA-N 1 3 340.471 2.875 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001021087703 713560799 /nfs/dbraw/zinc/56/07/99/713560799.db2.gz GNZDWEYSDRKNFH-CAMMJAKZSA-N 1 3 329.488 2.605 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001021089351 713561840 /nfs/dbraw/zinc/56/18/40/713561840.db2.gz ARIPRLLPKFTALI-BBBCSSEGSA-N 1 3 343.515 2.859 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001021089469 713561852 /nfs/dbraw/zinc/56/18/52/713561852.db2.gz CLPUBJPLZQIFKE-ZHZCFWQKSA-N 1 3 349.906 2.950 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001021089469 713561854 /nfs/dbraw/zinc/56/18/54/713561854.db2.gz CLPUBJPLZQIFKE-ZHZCFWQKSA-N 1 3 349.906 2.950 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c(C)c1 ZINC001021090052 713562010 /nfs/dbraw/zinc/56/20/10/713562010.db2.gz FABZHKGYBGNADG-BMOGMMAESA-N 1 3 343.515 2.913 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001021090017 713562244 /nfs/dbraw/zinc/56/22/44/713562244.db2.gz DYRLOIIHDGGSAG-FVCZOJIISA-N 1 3 343.515 2.859 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001021090739 713562796 /nfs/dbraw/zinc/56/27/96/713562796.db2.gz JQYNLFOZZMAYFO-BBBCSSEGSA-N 1 3 343.515 2.859 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001021090703 713563003 /nfs/dbraw/zinc/56/30/03/713563003.db2.gz IUSCGOCSMXIPOJ-IYARVYRRSA-N 1 3 329.488 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001021094182 713564465 /nfs/dbraw/zinc/56/44/65/713564465.db2.gz MUTZYCXEYJHVSZ-AXUOBQJMSA-N 1 3 347.478 2.998 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3CC)C2)c1 ZINC001021096250 713575089 /nfs/dbraw/zinc/57/50/89/713575089.db2.gz KKDDDMSMHGDSRH-UFYCRDLUSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001021096278 713575141 /nfs/dbraw/zinc/57/51/41/713575141.db2.gz LRFVELWLBLTKJM-HNBVOPMISA-N 1 3 341.499 2.785 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317807 713627527 /nfs/dbraw/zinc/62/75/27/713627527.db2.gz LASVWOVYMSGWHN-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317807 713627528 /nfs/dbraw/zinc/62/75/28/713627528.db2.gz LASVWOVYMSGWHN-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CC1CCC(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC000970334286 713643702 /nfs/dbraw/zinc/64/37/02/713643702.db2.gz GKFZHGOBTIREHG-NKELODKYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970334276 713643711 /nfs/dbraw/zinc/64/37/11/713643711.db2.gz GBSVXFQHDSYMGP-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC000970335113 713643838 /nfs/dbraw/zinc/64/38/38/713643838.db2.gz NUODSKJTKMVTNM-QUCCMNQESA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970335549 713644728 /nfs/dbraw/zinc/64/47/28/713644728.db2.gz QYTSOTPANCDGAY-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970336025 713645207 /nfs/dbraw/zinc/64/52/07/713645207.db2.gz WVACKDIRUWUDMD-RTBURBONSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970367542 713667197 /nfs/dbraw/zinc/66/71/97/713667197.db2.gz SSTBKGOBJYLZIZ-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000970372168 713668152 /nfs/dbraw/zinc/66/81/52/713668152.db2.gz NLSMDBMCNZWHDF-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021254265 713713870 /nfs/dbraw/zinc/71/38/70/713713870.db2.gz JUPNGDFCLPZFNS-BEZPCKGLSA-N 1 3 339.911 2.723 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021254265 713713872 /nfs/dbraw/zinc/71/38/72/713713872.db2.gz JUPNGDFCLPZFNS-BEZPCKGLSA-N 1 3 339.911 2.723 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC001021380832 713852572 /nfs/dbraw/zinc/85/25/72/713852572.db2.gz XQWZOAXNICAISL-CCNLRDMRSA-N 1 3 347.528 2.844 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1 ZINC001021380832 713852575 /nfs/dbraw/zinc/85/25/75/713852575.db2.gz XQWZOAXNICAISL-CCNLRDMRSA-N 1 3 347.528 2.844 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC001039211430 713979555 /nfs/dbraw/zinc/97/95/55/713979555.db2.gz APSAOFUNKXBPEF-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001039211430 713979558 /nfs/dbraw/zinc/97/95/58/713979558.db2.gz APSAOFUNKXBPEF-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000970786263 713992725 /nfs/dbraw/zinc/99/27/25/713992725.db2.gz RPOUUMZUEJLZQO-GXOAENINSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC000970792499 713997531 /nfs/dbraw/zinc/99/75/31/713997531.db2.gz LHUUYNHGRHCXGM-GOSISDBHSA-N 1 3 347.478 2.701 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000970796239 714002434 /nfs/dbraw/zinc/00/24/34/714002434.db2.gz JYJKULOPZXHBHO-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000970800039 714009295 /nfs/dbraw/zinc/00/92/95/714009295.db2.gz KYXAMPFXVGDFMJ-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980227870 717945889 /nfs/dbraw/zinc/94/58/89/717945889.db2.gz DWYMWAVEEYSKMJ-KSZLIROESA-N 1 3 346.519 2.914 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980227870 717945895 /nfs/dbraw/zinc/94/58/95/717945895.db2.gz DWYMWAVEEYSKMJ-KSZLIROESA-N 1 3 346.519 2.914 20 0 EFADHO C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970915673 714129966 /nfs/dbraw/zinc/12/99/66/714129966.db2.gz GZWXMQSGZIHDJP-CABCVRRESA-N 1 3 335.467 2.546 20 0 EFADHO C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970915676 714130050 /nfs/dbraw/zinc/13/00/50/714130050.db2.gz GZWXMQSGZIHDJP-GJZGRUSLSA-N 1 3 335.467 2.546 20 0 EFADHO CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970918318 714133066 /nfs/dbraw/zinc/13/30/66/714133066.db2.gz SVVXLVDALLZUPC-HOTGVXAUSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928481 714143995 /nfs/dbraw/zinc/14/39/95/714143995.db2.gz LKIXUJXAIVYFBL-MRXNPFEDSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1 ZINC000970927454 714144855 /nfs/dbraw/zinc/14/48/55/714144855.db2.gz FEBRDHFGYXHJOL-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CCCC2)C1 ZINC000970929374 714145840 /nfs/dbraw/zinc/14/58/40/714145840.db2.gz QJQKQLALRVVRAJ-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC[C@H](C)F)C1 ZINC000970929661 714146453 /nfs/dbraw/zinc/14/64/53/714146453.db2.gz SBPRCRDEYRKDEB-LSDHHAIUSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929660 714146501 /nfs/dbraw/zinc/14/65/01/714146501.db2.gz SBPRCRDEYRKDEB-HUUCEWRRSA-N 1 3 335.467 2.546 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604370 714164974 /nfs/dbraw/zinc/16/49/74/714164974.db2.gz CJHKOHKGGLCEMR-PKOBYXMFSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604370 714164977 /nfs/dbraw/zinc/16/49/77/714164977.db2.gz CJHKOHKGGLCEMR-PKOBYXMFSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604366 714165011 /nfs/dbraw/zinc/16/50/11/714165011.db2.gz CITDGRSNMJWLRB-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604366 714165012 /nfs/dbraw/zinc/16/50/12/714165012.db2.gz CITDGRSNMJWLRB-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980246209 717958054 /nfs/dbraw/zinc/95/80/54/717958054.db2.gz PWTFFAYRUXAPPS-ZCNNSNEGSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980246209 717958058 /nfs/dbraw/zinc/95/80/58/717958058.db2.gz PWTFFAYRUXAPPS-ZCNNSNEGSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261545178 714231627 /nfs/dbraw/zinc/23/16/27/714231627.db2.gz FTUMZLAIQWCVCV-UXDRXVOSSA-N 1 3 329.488 2.544 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671580 714274780 /nfs/dbraw/zinc/27/47/80/714274780.db2.gz SYOBFBNLSQSLBO-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671580 714274783 /nfs/dbraw/zinc/27/47/83/714274783.db2.gz SYOBFBNLSQSLBO-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742937 714412654 /nfs/dbraw/zinc/41/26/54/714412654.db2.gz NLIFQEPZBULPSQ-OALUTQOASA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742937 714412656 /nfs/dbraw/zinc/41/26/56/714412656.db2.gz NLIFQEPZBULPSQ-OALUTQOASA-N 1 3 329.488 2.695 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(CC)[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000891349853 714437815 /nfs/dbraw/zinc/43/78/15/714437815.db2.gz XCSWKLXATKMSKK-HZPDHXFCSA-N 1 3 338.521 2.524 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980249471 717977950 /nfs/dbraw/zinc/97/79/50/717977950.db2.gz ZNQCEYZTGWAKJK-XUVXKRRUSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980249471 717977953 /nfs/dbraw/zinc/97/79/53/717977953.db2.gz ZNQCEYZTGWAKJK-XUVXKRRUSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2Cl)C1 ZINC000971202487 714462596 /nfs/dbraw/zinc/46/25/96/714462596.db2.gz XOOSDXFCATZTBL-SJLPKXTDSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)C1 ZINC000971202487 714462597 /nfs/dbraw/zinc/46/25/97/714462597.db2.gz XOOSDXFCATZTBL-SJLPKXTDSA-N 1 3 349.906 2.509 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971204104 714463392 /nfs/dbraw/zinc/46/33/92/714463392.db2.gz ILTYVCRRSAVZJI-ZWKOTPCHSA-N 1 3 349.906 2.775 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971204104 714463393 /nfs/dbraw/zinc/46/33/93/714463393.db2.gz ILTYVCRRSAVZJI-ZWKOTPCHSA-N 1 3 349.906 2.775 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971204100 714463438 /nfs/dbraw/zinc/46/34/38/714463438.db2.gz ILTYVCRRSAVZJI-QZTJIDSGSA-N 1 3 349.906 2.775 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971204100 714463440 /nfs/dbraw/zinc/46/34/40/714463440.db2.gz ILTYVCRRSAVZJI-QZTJIDSGSA-N 1 3 349.906 2.775 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206018 714463744 /nfs/dbraw/zinc/46/37/44/714463744.db2.gz YRILLIXFBIWCEL-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206018 714463746 /nfs/dbraw/zinc/46/37/46/714463746.db2.gz YRILLIXFBIWCEL-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205035 714464635 /nfs/dbraw/zinc/46/46/35/714464635.db2.gz SBSDANZKRIANQK-WMZOPIPTSA-N 1 3 341.455 2.560 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205035 714464637 /nfs/dbraw/zinc/46/46/37/714464637.db2.gz SBSDANZKRIANQK-WMZOPIPTSA-N 1 3 341.455 2.560 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000891411897 714632464 /nfs/dbraw/zinc/63/24/64/714632464.db2.gz RQDUQNLNGGALCV-RWQQGDIJSA-N 1 3 344.503 2.639 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521841 714688332 /nfs/dbraw/zinc/68/83/32/714688332.db2.gz DYFXDEXSLAOZEK-RBUKOAKNSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521841 714688333 /nfs/dbraw/zinc/68/83/33/714688333.db2.gz DYFXDEXSLAOZEK-RBUKOAKNSA-N 1 3 347.478 2.731 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC000971566822 714710638 /nfs/dbraw/zinc/71/06/38/714710638.db2.gz JWFZVTRIEYKVJF-FGTMMUONSA-N 1 3 349.544 2.820 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC000971566822 714710642 /nfs/dbraw/zinc/71/06/42/714710642.db2.gz JWFZVTRIEYKVJF-FGTMMUONSA-N 1 3 349.544 2.820 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001022105024 714752080 /nfs/dbraw/zinc/75/20/80/714752080.db2.gz LHFPKYBJGMMCFK-LVNYTYFRSA-N 1 3 349.906 2.978 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001022105024 714752082 /nfs/dbraw/zinc/75/20/82/714752082.db2.gz LHFPKYBJGMMCFK-LVNYTYFRSA-N 1 3 349.906 2.978 20 0 EFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000891560852 714823123 /nfs/dbraw/zinc/82/31/23/714823123.db2.gz RQBYKJIMACEKCT-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022202373 714866737 /nfs/dbraw/zinc/86/67/37/714866737.db2.gz XTVVBYADMGCBIP-KSZLIROESA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022202373 714866739 /nfs/dbraw/zinc/86/67/39/714866739.db2.gz XTVVBYADMGCBIP-KSZLIROESA-N 1 3 347.478 2.825 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674028 714873021 /nfs/dbraw/zinc/87/30/21/714873021.db2.gz MVHNEUKDGIJYAB-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674028 714873022 /nfs/dbraw/zinc/87/30/22/714873022.db2.gz MVHNEUKDGIJYAB-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675586 714875841 /nfs/dbraw/zinc/87/58/41/714875841.db2.gz ZKQTYGZEEZNPGD-FUHWJXTLSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675586 714875843 /nfs/dbraw/zinc/87/58/43/714875843.db2.gz ZKQTYGZEEZNPGD-FUHWJXTLSA-N 1 3 329.488 2.765 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688245 714883592 /nfs/dbraw/zinc/88/35/92/714883592.db2.gz VAJMPSKJXNAUTH-AZUAARDMSA-N 1 3 341.499 2.691 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688245 714883595 /nfs/dbraw/zinc/88/35/95/714883595.db2.gz VAJMPSKJXNAUTH-AZUAARDMSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685738 714885181 /nfs/dbraw/zinc/88/51/81/714885181.db2.gz OVOVHUFGZWJVDZ-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685738 714885182 /nfs/dbraw/zinc/88/51/82/714885182.db2.gz OVOVHUFGZWJVDZ-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686236 714885899 /nfs/dbraw/zinc/88/58/99/714885899.db2.gz ASAZLHRMQLONPU-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686236 714885901 /nfs/dbraw/zinc/88/59/01/714885901.db2.gz ASAZLHRMQLONPU-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971686730 714886210 /nfs/dbraw/zinc/88/62/10/714886210.db2.gz FQKFHHFYMHPLRJ-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971686730 714886212 /nfs/dbraw/zinc/88/62/12/714886212.db2.gz FQKFHHFYMHPLRJ-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971687376 714886817 /nfs/dbraw/zinc/88/68/17/714886817.db2.gz YSGAQVJKPNNYFZ-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971687376 714886819 /nfs/dbraw/zinc/88/68/19/714886819.db2.gz YSGAQVJKPNNYFZ-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000971690103 714888453 /nfs/dbraw/zinc/88/84/53/714888453.db2.gz OZXDDHLODRSWOB-SFHVURJKSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000971690103 714888455 /nfs/dbraw/zinc/88/84/55/714888455.db2.gz OZXDDHLODRSWOB-SFHVURJKSA-N 1 3 349.544 2.882 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000891638352 714889902 /nfs/dbraw/zinc/88/99/02/714889902.db2.gz JSFXTMCOLXANLE-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000971715160 714904276 /nfs/dbraw/zinc/90/42/76/714904276.db2.gz FYJKUNHIODJJDA-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000971715160 714904277 /nfs/dbraw/zinc/90/42/77/714904277.db2.gz FYJKUNHIODJJDA-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971734871 714921016 /nfs/dbraw/zinc/92/10/16/714921016.db2.gz HSEOXQCWWVYBIX-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971734871 714921017 /nfs/dbraw/zinc/92/10/17/714921017.db2.gz HSEOXQCWWVYBIX-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971734847 714921290 /nfs/dbraw/zinc/92/12/90/714921290.db2.gz HHWJLZSNGMBAAK-OALUTQOASA-N 1 3 349.494 2.753 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971736811 714924627 /nfs/dbraw/zinc/92/46/27/714924627.db2.gz SMQSLBSSNXWJLO-ICSRJNTNSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971736811 714924629 /nfs/dbraw/zinc/92/46/29/714924629.db2.gz SMQSLBSSNXWJLO-ICSRJNTNSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000971777965 714956642 /nfs/dbraw/zinc/95/66/42/714956642.db2.gz IXGDJNWXKWPORK-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000971777965 714956646 /nfs/dbraw/zinc/95/66/46/714956646.db2.gz IXGDJNWXKWPORK-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000971778605 714956955 /nfs/dbraw/zinc/95/69/55/714956955.db2.gz OQNGAVBZBJHZIR-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000971778605 714956960 /nfs/dbraw/zinc/95/69/60/714956960.db2.gz OQNGAVBZBJHZIR-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000971779060 714957286 /nfs/dbraw/zinc/95/72/86/714957286.db2.gz QJXSTUBEPLSAOL-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000971779060 714957287 /nfs/dbraw/zinc/95/72/87/714957287.db2.gz QJXSTUBEPLSAOL-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)c(C)s1 ZINC000971789456 714961788 /nfs/dbraw/zinc/96/17/88/714961788.db2.gz MSRHKJXRADZUAT-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)c(C)s1 ZINC000971789456 714961791 /nfs/dbraw/zinc/96/17/91/714961791.db2.gz MSRHKJXRADZUAT-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)N(C)C ZINC000891894582 715098011 /nfs/dbraw/zinc/09/80/11/715098011.db2.gz OWYNGVXJROGNKN-AEIBSFOJSA-N 1 3 344.503 2.508 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042766 715337527 /nfs/dbraw/zinc/33/75/27/715337527.db2.gz NJVAGYFTERFVPY-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001027042793 715337538 /nfs/dbraw/zinc/33/75/38/715337538.db2.gz NXEWLEADLHQEHE-RTBURBONSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001027043097 715337613 /nfs/dbraw/zinc/33/76/13/715337613.db2.gz VZFHAZJMLPSHAI-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042736 715337760 /nfs/dbraw/zinc/33/77/60/715337760.db2.gz MMCCPTDUZVDGED-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027043417 715339395 /nfs/dbraw/zinc/33/93/95/715339395.db2.gz CZVBRWGCDSWYHV-VQIMIIECSA-N 1 3 349.494 2.658 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001027044167 715340648 /nfs/dbraw/zinc/34/06/48/715340648.db2.gz RTJDLMOFKZNBBF-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001027044778 715341601 /nfs/dbraw/zinc/34/16/01/715341601.db2.gz FIFYSPLCLPNGAA-SJLPKXTDSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001022710323 715401571 /nfs/dbraw/zinc/40/15/71/715401571.db2.gz DVMFOGHGLNSRCR-OIISXLGYSA-N 1 3 341.455 2.654 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001022711221 715403604 /nfs/dbraw/zinc/40/36/04/715403604.db2.gz UYIQDOHOZRGDFO-RWMBFGLXSA-N 1 3 341.908 2.623 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001022711630 715409050 /nfs/dbraw/zinc/40/90/50/715409050.db2.gz CHCFZUDOEGPPOS-CWRNSKLLSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC001022711705 715409084 /nfs/dbraw/zinc/40/90/84/715409084.db2.gz CRXDLKAOXCIPKD-DTDBQYNISA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001022711825 715409382 /nfs/dbraw/zinc/40/93/82/715409382.db2.gz DPWRUFMMLJGMJJ-YHUYYLMFSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001027069327 715410369 /nfs/dbraw/zinc/41/03/69/715410369.db2.gz QIMUCTXJAOPCFX-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001022712450 715411539 /nfs/dbraw/zinc/41/15/39/715411539.db2.gz QRALHHAKQUGUDX-JFRXWTBNSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022712790 715413004 /nfs/dbraw/zinc/41/30/04/715413004.db2.gz ZQICBVXEQOVQHP-RYQLBKOJSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001022712963 715413697 /nfs/dbraw/zinc/41/36/97/715413697.db2.gz DXNTUBVDGPSAHB-ZMYBRWDISA-N 1 3 343.515 2.690 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001027062896 715414772 /nfs/dbraw/zinc/41/47/72/715414772.db2.gz DMIUIUVJJVVIBS-SFHVURJKSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063098 715415266 /nfs/dbraw/zinc/41/52/66/715415266.db2.gz HKODUXNWCPDAIF-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001027063064 715415495 /nfs/dbraw/zinc/41/54/95/715415495.db2.gz GVJHJIVKLJBULO-HOTGVXAUSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027063552 715415985 /nfs/dbraw/zinc/41/59/85/715415985.db2.gz NIOZYYXJDZYZEN-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063515 715416119 /nfs/dbraw/zinc/41/61/19/715416119.db2.gz MUQXSWZSRSFNPA-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027063553 715416130 /nfs/dbraw/zinc/41/61/30/715416130.db2.gz NIOZYYXJDZYZEN-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001027063573 715416825 /nfs/dbraw/zinc/41/68/25/715416825.db2.gz NTBBHLBFVNASCT-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063841 715417244 /nfs/dbraw/zinc/41/72/44/715417244.db2.gz SZQCOJJWEWGUTP-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027064990 715419095 /nfs/dbraw/zinc/41/90/95/715419095.db2.gz OFXMRENCCXDWOM-VQIMIIECSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC001027065267 715420547 /nfs/dbraw/zinc/42/05/47/715420547.db2.gz VAUSCJGRNARITD-HZPDHXFCSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001027065506 715421595 /nfs/dbraw/zinc/42/15/95/715421595.db2.gz ZGNFJYJIQKRNMG-PKOBYXMFSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715028 715424349 /nfs/dbraw/zinc/42/43/49/715424349.db2.gz CKIIMBQYTPKWBE-DDBAPUKQSA-N 1 3 329.488 2.635 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001022715747 715430593 /nfs/dbraw/zinc/43/05/93/715430593.db2.gz LJIBOGPLOBLULL-AHRSYUTCSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000972178280 715482404 /nfs/dbraw/zinc/48/24/04/715482404.db2.gz XEPMTLOSIMBUGL-VDZJLULYSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC000972178280 715482408 /nfs/dbraw/zinc/48/24/08/715482408.db2.gz XEPMTLOSIMBUGL-VDZJLULYSA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001027069889 715493426 /nfs/dbraw/zinc/49/34/26/715493426.db2.gz DKLPECPRDJHESZ-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001027070513 715494648 /nfs/dbraw/zinc/49/46/48/715494648.db2.gz SIOOOXQNFCHXRO-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001027089778 715541569 /nfs/dbraw/zinc/54/15/69/715541569.db2.gz DDZKXYPTSKCNPD-KRWDZBQOSA-N 1 3 340.471 2.516 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC001027089725 715541795 /nfs/dbraw/zinc/54/17/95/715541795.db2.gz CAEVSZBJOFIAMG-ZIAGYGMSSA-N 1 3 346.862 2.805 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC001027090589 715543382 /nfs/dbraw/zinc/54/33/82/715543382.db2.gz SJVVIBUCEBRNSP-KBPBESRZSA-N 1 3 346.862 2.805 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091073 715544355 /nfs/dbraw/zinc/54/43/55/715544355.db2.gz CSHUXMWQTMBTKO-INIZCTEOSA-N 1 3 340.471 2.714 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1F ZINC000972234275 715573242 /nfs/dbraw/zinc/57/32/42/715573242.db2.gz GXTJBSJCIAITRS-GOSISDBHSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234721 715574708 /nfs/dbraw/zinc/57/47/08/715574708.db2.gz JBNPTIUMRFYTHS-GOSISDBHSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235562 715575475 /nfs/dbraw/zinc/57/54/75/715575475.db2.gz PTMHEEUWNPIERR-LJQANCHMSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1F ZINC000972265285 715611421 /nfs/dbraw/zinc/61/14/21/715611421.db2.gz LTHDJLKSHIULCF-IEBWSBKVSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972268526 715616316 /nfs/dbraw/zinc/61/63/16/715616316.db2.gz YLHKDNBSVWSKKM-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972268526 715616318 /nfs/dbraw/zinc/61/63/18/715616318.db2.gz YLHKDNBSVWSKKM-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027139152 715682321 /nfs/dbraw/zinc/68/23/21/715682321.db2.gz BRCVFGIYHOEBJJ-IBGZPJMESA-N 1 3 333.520 2.657 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000972330002 715697915 /nfs/dbraw/zinc/69/79/15/715697915.db2.gz CTTAPUJOWKYYGB-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000972330002 715697917 /nfs/dbraw/zinc/69/79/17/715697917.db2.gz CTTAPUJOWKYYGB-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972329831 715699387 /nfs/dbraw/zinc/69/93/87/715699387.db2.gz CLQNQBNQKRXSIV-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972329831 715699392 /nfs/dbraw/zinc/69/93/92/715699392.db2.gz CLQNQBNQKRXSIV-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cc1F ZINC000972330773 715701700 /nfs/dbraw/zinc/70/17/00/715701700.db2.gz HCXMJNVLUZDZCM-AEFFLSMTSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1F ZINC000972330773 715701706 /nfs/dbraw/zinc/70/17/06/715701706.db2.gz HCXMJNVLUZDZCM-AEFFLSMTSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972332181 715702995 /nfs/dbraw/zinc/70/29/95/715702995.db2.gz NQSHXVDSYYROKI-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972332181 715703001 /nfs/dbraw/zinc/70/30/01/715703001.db2.gz NQSHXVDSYYROKI-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO C[N@H+](CC1CCC1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334207 715707573 /nfs/dbraw/zinc/70/75/73/715707573.db2.gz FUTPVYXETPMTDJ-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CCC1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334207 715707575 /nfs/dbraw/zinc/70/75/75/715707575.db2.gz FUTPVYXETPMTDJ-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027408740 715708405 /nfs/dbraw/zinc/70/84/05/715708405.db2.gz WWXMSWMUYVHLIC-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027408740 715708407 /nfs/dbraw/zinc/70/84/07/715708407.db2.gz WWXMSWMUYVHLIC-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334811 715709067 /nfs/dbraw/zinc/70/90/67/715709067.db2.gz KYNMKSSYTJDPJE-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334811 715709070 /nfs/dbraw/zinc/70/90/70/715709070.db2.gz KYNMKSSYTJDPJE-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336007 715711359 /nfs/dbraw/zinc/71/13/59/715711359.db2.gz UCHLBFBBMRHCTF-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336007 715711361 /nfs/dbraw/zinc/71/13/61/715711361.db2.gz UCHLBFBBMRHCTF-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001022806890 715729520 /nfs/dbraw/zinc/72/95/20/715729520.db2.gz CTOJOVHKLLYFAP-SOLBZPMBSA-N 1 3 349.544 2.790 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000972352229 715735937 /nfs/dbraw/zinc/73/59/37/715735937.db2.gz AGWYHTKKVCZQGF-IRXDYDNUSA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000972352229 715735940 /nfs/dbraw/zinc/73/59/40/715735940.db2.gz AGWYHTKKVCZQGF-IRXDYDNUSA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000972352892 715737220 /nfs/dbraw/zinc/73/72/20/715737220.db2.gz DIILZPSLFUZPCT-WMZOPIPTSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000972352892 715737223 /nfs/dbraw/zinc/73/72/23/715737223.db2.gz DIILZPSLFUZPCT-WMZOPIPTSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000972352789 715737362 /nfs/dbraw/zinc/73/73/62/715737362.db2.gz CVGYFCAJZVFKDH-UXHICEINSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000972352789 715737364 /nfs/dbraw/zinc/73/73/64/715737364.db2.gz CVGYFCAJZVFKDH-UXHICEINSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000972353826 715738716 /nfs/dbraw/zinc/73/87/16/715738716.db2.gz IXSDUQBXFUNVCD-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000972353826 715738719 /nfs/dbraw/zinc/73/87/19/715738719.db2.gz IXSDUQBXFUNVCD-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000972355044 715742070 /nfs/dbraw/zinc/74/20/70/715742070.db2.gz RGDVYVZICRKHES-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000972355044 715742075 /nfs/dbraw/zinc/74/20/75/715742075.db2.gz RGDVYVZICRKHES-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000972355033 715742091 /nfs/dbraw/zinc/74/20/91/715742091.db2.gz RBXCCTKTBJJEDY-ROUUACIJSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000972355033 715742097 /nfs/dbraw/zinc/74/20/97/715742097.db2.gz RBXCCTKTBJJEDY-ROUUACIJSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000972354551 715742939 /nfs/dbraw/zinc/74/29/39/715742939.db2.gz MDTKWCBSERBGBV-HKUYNNGSSA-N 1 3 342.487 2.541 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000972354551 715742941 /nfs/dbraw/zinc/74/29/41/715742941.db2.gz MDTKWCBSERBGBV-HKUYNNGSSA-N 1 3 342.487 2.541 20 0 EFADHO C[NH+](C)CC1(O)CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000931485945 715771985 /nfs/dbraw/zinc/77/19/85/715771985.db2.gz UDMZPVNADGQCFB-UHFFFAOYSA-N 1 3 346.393 2.516 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440439 715808652 /nfs/dbraw/zinc/80/86/52/715808652.db2.gz GDCWARULWMEZDI-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440439 715808654 /nfs/dbraw/zinc/80/86/54/715808654.db2.gz GDCWARULWMEZDI-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001027443196 715816394 /nfs/dbraw/zinc/81/63/94/715816394.db2.gz JRVLSTBDFCQTCU-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001027443196 715816401 /nfs/dbraw/zinc/81/64/01/715816401.db2.gz JRVLSTBDFCQTCU-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001027443164 715816601 /nfs/dbraw/zinc/81/66/01/715816601.db2.gz JKOAYGMLNOOWFQ-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001027443164 715816606 /nfs/dbraw/zinc/81/66/06/715816606.db2.gz JKOAYGMLNOOWFQ-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027444078 715819301 /nfs/dbraw/zinc/81/93/01/715819301.db2.gz QFBOXPYNYWLPLC-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027444078 715819305 /nfs/dbraw/zinc/81/93/05/715819305.db2.gz QFBOXPYNYWLPLC-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027444520 715820335 /nfs/dbraw/zinc/82/03/35/715820335.db2.gz SGZXEALQJBUEEI-DLBZAZTESA-N 1 3 335.517 2.511 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444750 715820937 /nfs/dbraw/zinc/82/09/37/715820937.db2.gz VDFRVNSEWIRGQO-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444750 715820943 /nfs/dbraw/zinc/82/09/43/715820943.db2.gz VDFRVNSEWIRGQO-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445073 715821604 /nfs/dbraw/zinc/82/16/04/715821604.db2.gz ZHOJCYRUDURQCX-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445073 715821611 /nfs/dbraw/zinc/82/16/11/715821611.db2.gz ZHOJCYRUDURQCX-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001027442184 715822589 /nfs/dbraw/zinc/82/25/89/715822589.db2.gz PPQRFLGAYBFIPF-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001027442184 715822595 /nfs/dbraw/zinc/82/25/95/715822595.db2.gz PPQRFLGAYBFIPF-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001027442241 715822677 /nfs/dbraw/zinc/82/26/77/715822677.db2.gz RHJBGTRCIKVHHF-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001027442241 715822680 /nfs/dbraw/zinc/82/26/80/715822680.db2.gz RHJBGTRCIKVHHF-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027460167 715876782 /nfs/dbraw/zinc/87/67/82/715876782.db2.gz GKFIQKGBCIQCSN-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027460167 715876786 /nfs/dbraw/zinc/87/67/86/715876786.db2.gz GKFIQKGBCIQCSN-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425710 715878434 /nfs/dbraw/zinc/87/84/34/715878434.db2.gz HRKZHOHNUQAPMR-AEFFLSMTSA-N 1 3 340.471 2.863 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425710 715878439 /nfs/dbraw/zinc/87/84/39/715878439.db2.gz HRKZHOHNUQAPMR-AEFFLSMTSA-N 1 3 340.471 2.863 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027462297 715893746 /nfs/dbraw/zinc/89/37/46/715893746.db2.gz WAWYVRYVOZQHOP-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027462297 715893751 /nfs/dbraw/zinc/89/37/51/715893751.db2.gz WAWYVRYVOZQHOP-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1Cl ZINC001027216972 715921029 /nfs/dbraw/zinc/92/10/29/715921029.db2.gz CMWOOSJIKANHBZ-CVEARBPZSA-N 1 3 349.906 2.935 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218106 715922192 /nfs/dbraw/zinc/92/21/92/715922192.db2.gz XTPJZRWIMNAHHQ-SFHVURJKSA-N 1 3 343.515 2.844 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001027218121 715922248 /nfs/dbraw/zinc/92/22/48/715922248.db2.gz YBSCILKFFDEVBV-GOSISDBHSA-N 1 3 341.499 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027235769 715949622 /nfs/dbraw/zinc/94/96/22/715949622.db2.gz VBQXUCCDPPWFLX-RTBURBONSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001027235901 715950240 /nfs/dbraw/zinc/95/02/40/715950240.db2.gz YANVDWQHEAAJPI-SJLPKXTDSA-N 1 3 349.544 2.869 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893411333 715977651 /nfs/dbraw/zinc/97/76/51/715977651.db2.gz DWIQARBFIVXKCW-ABHMUUKNSA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000893411333 715977655 /nfs/dbraw/zinc/97/76/55/715977655.db2.gz DWIQARBFIVXKCW-ABHMUUKNSA-N 1 3 332.488 2.679 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC000985468167 724440336 /nfs/dbraw/zinc/44/03/36/724440336.db2.gz QPOUPLAPZQZCFV-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC000985468167 724440337 /nfs/dbraw/zinc/44/03/37/724440337.db2.gz QPOUPLAPZQZCFV-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC000985469924 724441785 /nfs/dbraw/zinc/44/17/85/724441785.db2.gz LKBWTDXDPVQORF-UHFFFAOYSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC000985469924 724441787 /nfs/dbraw/zinc/44/17/87/724441787.db2.gz LKBWTDXDPVQORF-UHFFFAOYSA-N 1 3 349.544 2.964 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972481900 716011647 /nfs/dbraw/zinc/01/16/47/716011647.db2.gz CCPXMLIWIVNZJF-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248805 716013141 /nfs/dbraw/zinc/01/31/41/716013141.db2.gz PSKBMNNEJXTGIC-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248805 716013143 /nfs/dbraw/zinc/01/31/43/716013143.db2.gz PSKBMNNEJXTGIC-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC000972483724 716019396 /nfs/dbraw/zinc/01/93/96/716019396.db2.gz WEYKSQBFLBJMQC-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001022975981 716044882 /nfs/dbraw/zinc/04/48/82/716044882.db2.gz ZRCDSHNRJCFLRE-BHYGNILZSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001022975981 716044888 /nfs/dbraw/zinc/04/48/88/716044888.db2.gz ZRCDSHNRJCFLRE-BHYGNILZSA-N 1 3 349.906 2.727 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001022976970 716047245 /nfs/dbraw/zinc/04/72/45/716047245.db2.gz PIRSVKJGNLQYSL-QXSJWSMHSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001022976970 716047250 /nfs/dbraw/zinc/04/72/50/716047250.db2.gz PIRSVKJGNLQYSL-QXSJWSMHSA-N 1 3 349.906 2.980 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029173464 722941843 /nfs/dbraw/zinc/94/18/43/722941843.db2.gz QYNBEUKGXGOVGH-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001023024998 716093855 /nfs/dbraw/zinc/09/38/55/716093855.db2.gz QEZFIZQMKRZQDI-JZXOWHBKSA-N 1 3 338.455 2.575 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001023025066 716094323 /nfs/dbraw/zinc/09/43/23/716094323.db2.gz SULUTHCSFNZMGF-HDICACEKSA-N 1 3 348.450 2.851 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023125425 716163639 /nfs/dbraw/zinc/16/36/39/716163639.db2.gz PXWDQOPOCIMVNS-UOVPBQLFSA-N 1 3 333.520 2.676 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001023126118 716164034 /nfs/dbraw/zinc/16/40/34/716164034.db2.gz IUSCGOCSMXIPOJ-HDICACEKSA-N 1 3 329.488 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001023128716 716165084 /nfs/dbraw/zinc/16/50/84/716165084.db2.gz PXTPLULWVMYAKJ-KSZLIROESA-N 1 3 349.544 2.976 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001023128668 716165359 /nfs/dbraw/zinc/16/53/59/716165359.db2.gz NZTDEJNLIGVDSB-ZCNNSNEGSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001023130538 716165809 /nfs/dbraw/zinc/16/58/09/716165809.db2.gz TXTQBWTZSOPFSA-CEXWTWQISA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001023130363 716165921 /nfs/dbraw/zinc/16/59/21/716165921.db2.gz KRQWBTUAGGPITQ-ZCNNSNEGSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001023130362 716165950 /nfs/dbraw/zinc/16/59/50/716165950.db2.gz KRQWBTUAGGPITQ-HSALFYBXSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001023131161 716166156 /nfs/dbraw/zinc/16/61/56/716166156.db2.gz YDAMOSOOMHJNAW-BBWFWOEESA-N 1 3 335.517 2.668 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001023131100 716166219 /nfs/dbraw/zinc/16/62/19/716166219.db2.gz UXEBTUJOOGUKCL-FGTMMUONSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001023131132 716166310 /nfs/dbraw/zinc/16/63/10/716166310.db2.gz WPQLRRUQJPRTHJ-LVQVYYBASA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458108 716240311 /nfs/dbraw/zinc/24/03/11/716240311.db2.gz AQRYDKVGMNJSAA-OALUTQOASA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458108 716240316 /nfs/dbraw/zinc/24/03/16/716240316.db2.gz AQRYDKVGMNJSAA-OALUTQOASA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001027651832 716331164 /nfs/dbraw/zinc/33/11/64/716331164.db2.gz OFFWDGFNORUDRI-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001027651832 716331171 /nfs/dbraw/zinc/33/11/71/716331171.db2.gz OFFWDGFNORUDRI-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650571 716338613 /nfs/dbraw/zinc/33/86/13/716338613.db2.gz HGAFWMUXQGMJQM-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650571 716338618 /nfs/dbraw/zinc/33/86/18/716338618.db2.gz HGAFWMUXQGMJQM-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650626 716338805 /nfs/dbraw/zinc/33/88/05/716338805.db2.gz IDZMVGXNKKWRHA-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650626 716338812 /nfs/dbraw/zinc/33/88/12/716338812.db2.gz IDZMVGXNKKWRHA-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001027650692 716339341 /nfs/dbraw/zinc/33/93/41/716339341.db2.gz DKJSNRNIMFBATJ-KRWDZBQOSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977592635 716373575 /nfs/dbraw/zinc/37/35/75/716373575.db2.gz ZXZROYOSTBSCPJ-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977592635 716373576 /nfs/dbraw/zinc/37/35/76/716373576.db2.gz ZXZROYOSTBSCPJ-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977629177 716407328 /nfs/dbraw/zinc/40/73/28/716407328.db2.gz NOPMCOSWMLZPMJ-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977629177 716407335 /nfs/dbraw/zinc/40/73/35/716407335.db2.gz NOPMCOSWMLZPMJ-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622595 716422859 /nfs/dbraw/zinc/42/28/59/716422859.db2.gz QGPXLLSAXGPIPK-QAPCUYQASA-N 1 3 349.494 2.937 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622595 716422863 /nfs/dbraw/zinc/42/28/63/716422863.db2.gz QGPXLLSAXGPIPK-QAPCUYQASA-N 1 3 349.494 2.937 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622222 716422922 /nfs/dbraw/zinc/42/29/22/716422922.db2.gz QGPXLLSAXGPIPK-CRAIPNDOSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622222 716422924 /nfs/dbraw/zinc/42/29/24/716422924.db2.gz QGPXLLSAXGPIPK-CRAIPNDOSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622597 716423021 /nfs/dbraw/zinc/42/30/21/716423021.db2.gz QGPXLLSAXGPIPK-YJBOKZPZSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622597 716423022 /nfs/dbraw/zinc/42/30/22/716423022.db2.gz QGPXLLSAXGPIPK-YJBOKZPZSA-N 1 3 349.494 2.937 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000977622617 716423801 /nfs/dbraw/zinc/42/38/01/716423801.db2.gz RAOWRSSEGCWIIW-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000977622617 716423803 /nfs/dbraw/zinc/42/38/03/716423803.db2.gz RAOWRSSEGCWIIW-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@H+](CCCF)CC2(C)C)c1 ZINC000977641414 716433473 /nfs/dbraw/zinc/43/34/73/716433473.db2.gz NTAOKEFSEWMZPF-KRWDZBQOSA-N 1 3 335.467 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@@H+](CCCF)CC2(C)C)c1 ZINC000977641414 716433477 /nfs/dbraw/zinc/43/34/77/716433477.db2.gz NTAOKEFSEWMZPF-KRWDZBQOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027547416 716449468 /nfs/dbraw/zinc/44/94/68/716449468.db2.gz RXMBSQIPPLEAJH-RYQLBKOJSA-N 1 3 349.544 2.901 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027547416 716449475 /nfs/dbraw/zinc/44/94/75/716449475.db2.gz RXMBSQIPPLEAJH-RYQLBKOJSA-N 1 3 349.544 2.901 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803183 716456048 /nfs/dbraw/zinc/45/60/48/716456048.db2.gz XVAQVUHCIGRWAP-OKYOBFRVSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803183 716456052 /nfs/dbraw/zinc/45/60/52/716456052.db2.gz XVAQVUHCIGRWAP-OKYOBFRVSA-N 1 3 335.536 2.589 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680283 716485938 /nfs/dbraw/zinc/48/59/38/716485938.db2.gz CGOSDQUGKILAGX-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680283 716485943 /nfs/dbraw/zinc/48/59/43/716485943.db2.gz CGOSDQUGKILAGX-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681044 716488707 /nfs/dbraw/zinc/48/87/07/716488707.db2.gz OKHKYELEUNVLAE-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681044 716488709 /nfs/dbraw/zinc/48/87/09/716488709.db2.gz OKHKYELEUNVLAE-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027682236 716500144 /nfs/dbraw/zinc/50/01/44/716500144.db2.gz MPRBUQXPXPFNKY-QGZVFWFLSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027682236 716500147 /nfs/dbraw/zinc/50/01/47/716500147.db2.gz MPRBUQXPXPFNKY-QGZVFWFLSA-N 1 3 335.517 2.575 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2ccsc2)C1)C12CCC[NH+]1CCC2 ZINC001023466650 716503873 /nfs/dbraw/zinc/50/38/73/716503873.db2.gz KJKRDOTXRXMPTA-MRXNPFEDSA-N 1 3 347.528 2.705 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001039622757 716506725 /nfs/dbraw/zinc/50/67/25/716506725.db2.gz KCAVCEOWMUVDJJ-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001039622757 716506731 /nfs/dbraw/zinc/50/67/31/716506731.db2.gz KCAVCEOWMUVDJJ-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027562555 716590125 /nfs/dbraw/zinc/59/01/25/716590125.db2.gz RGAWIDWDSTXPEP-RTBURBONSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027562555 716590130 /nfs/dbraw/zinc/59/01/30/716590130.db2.gz RGAWIDWDSTXPEP-RTBURBONSA-N 1 3 331.504 2.696 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000978946928 716593686 /nfs/dbraw/zinc/59/36/86/716593686.db2.gz FEHOGEUQOXHKKP-AKHDSKFASA-N 1 3 335.536 2.591 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000978946928 716593692 /nfs/dbraw/zinc/59/36/92/716593692.db2.gz FEHOGEUQOXHKKP-AKHDSKFASA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1)[NH+](C)C ZINC001027564152 716608331 /nfs/dbraw/zinc/60/83/31/716608331.db2.gz RNXSZZYLNVHJLT-IAGOWNOFSA-N 1 3 337.533 2.757 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027576924 716700547 /nfs/dbraw/zinc/70/05/47/716700547.db2.gz ZTMARZRMHRHIQG-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027576924 716700550 /nfs/dbraw/zinc/70/05/50/716700550.db2.gz ZTMARZRMHRHIQG-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576921 716700579 /nfs/dbraw/zinc/70/05/79/716700579.db2.gz ZRQFREOEOSZGIK-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576921 716700583 /nfs/dbraw/zinc/70/05/83/716700583.db2.gz ZRQFREOEOSZGIK-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575887 716707544 /nfs/dbraw/zinc/70/75/44/716707544.db2.gz GGNKPIPMOVFEKP-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575887 716707548 /nfs/dbraw/zinc/70/75/48/716707548.db2.gz GGNKPIPMOVFEKP-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001027576429 716713550 /nfs/dbraw/zinc/71/35/50/716713550.db2.gz OUIOYYPAFWSNFR-QAPCUYQASA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001027576429 716713555 /nfs/dbraw/zinc/71/35/55/716713555.db2.gz OUIOYYPAFWSNFR-QAPCUYQASA-N 1 3 349.544 2.821 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CC1 ZINC000972611596 716721334 /nfs/dbraw/zinc/72/13/34/716721334.db2.gz CTVQAHYDZDISIP-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CC1 ZINC000972611596 716721336 /nfs/dbraw/zinc/72/13/36/716721336.db2.gz CTVQAHYDZDISIP-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027578530 716733054 /nfs/dbraw/zinc/73/30/54/716733054.db2.gz MOSPEGZVQPVHIX-HKUYNNGSSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027578530 716733057 /nfs/dbraw/zinc/73/30/57/716733057.db2.gz MOSPEGZVQPVHIX-HKUYNNGSSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027578846 716737829 /nfs/dbraw/zinc/73/78/29/716737829.db2.gz WAWYVRYVOZQHOP-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027578846 716737830 /nfs/dbraw/zinc/73/78/30/716737830.db2.gz WAWYVRYVOZQHOP-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027578845 716737855 /nfs/dbraw/zinc/73/78/55/716737855.db2.gz WAWYVRYVOZQHOP-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001027578845 716737857 /nfs/dbraw/zinc/73/78/57/716737857.db2.gz WAWYVRYVOZQHOP-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023633257 716746343 /nfs/dbraw/zinc/74/63/43/716746343.db2.gz VQXXLCVOUMRQKM-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023633257 716746345 /nfs/dbraw/zinc/74/63/45/716746345.db2.gz VQXXLCVOUMRQKM-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027582771 716771333 /nfs/dbraw/zinc/77/13/33/716771333.db2.gz OTUVHAGFBOYAMX-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027582771 716771337 /nfs/dbraw/zinc/77/13/37/716771337.db2.gz OTUVHAGFBOYAMX-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023677090 716803494 /nfs/dbraw/zinc/80/34/94/716803494.db2.gz BXVHNHRCJNFAQY-AEFFLSMTSA-N 1 3 341.515 2.683 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023677093 716803607 /nfs/dbraw/zinc/80/36/07/716803607.db2.gz BXVHNHRCJNFAQY-WMZOPIPTSA-N 1 3 341.515 2.683 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023695468 716837923 /nfs/dbraw/zinc/83/79/23/716837923.db2.gz BSFXWQBLSCFBIT-ZWKOTPCHSA-N 1 3 341.515 2.829 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023695468 716837927 /nfs/dbraw/zinc/83/79/27/716837927.db2.gz BSFXWQBLSCFBIT-ZWKOTPCHSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978141811 716838551 /nfs/dbraw/zinc/83/85/51/716838551.db2.gz GQFGZLXEQLWFEK-OKYOBFRVSA-N 1 3 347.547 2.589 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978141811 716838556 /nfs/dbraw/zinc/83/85/56/716838556.db2.gz GQFGZLXEQLWFEK-OKYOBFRVSA-N 1 3 347.547 2.589 20 0 EFADHO CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001027594685 716878931 /nfs/dbraw/zinc/87/89/31/716878931.db2.gz LTHHFMKFKGJIDM-HTWSVDAQSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001027594685 716878934 /nfs/dbraw/zinc/87/89/34/716878934.db2.gz LTHHFMKFKGJIDM-HTWSVDAQSA-N 1 3 332.492 2.701 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595425 716882361 /nfs/dbraw/zinc/88/23/61/716882361.db2.gz YNLWXPUYOXJDLC-LPHOPBHVSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595425 716882364 /nfs/dbraw/zinc/88/23/64/716882364.db2.gz YNLWXPUYOXJDLC-LPHOPBHVSA-N 1 3 340.471 2.945 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000978243509 716923756 /nfs/dbraw/zinc/92/37/56/716923756.db2.gz LSFWLPMHWBOTBO-YSTOQKLRSA-N 1 3 345.531 2.655 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000978243509 716923759 /nfs/dbraw/zinc/92/37/59/716923759.db2.gz LSFWLPMHWBOTBO-YSTOQKLRSA-N 1 3 345.531 2.655 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023761755 716974328 /nfs/dbraw/zinc/97/43/28/716974328.db2.gz IRSCCRXLTOIBQL-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023761755 716974330 /nfs/dbraw/zinc/97/43/30/716974330.db2.gz IRSCCRXLTOIBQL-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761510 716974427 /nfs/dbraw/zinc/97/44/27/716974427.db2.gz BNBNHKAZVIUTOW-WMZOPIPTSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761510 716974434 /nfs/dbraw/zinc/97/44/34/716974434.db2.gz BNBNHKAZVIUTOW-WMZOPIPTSA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762251 716976784 /nfs/dbraw/zinc/97/67/84/716976784.db2.gz VCSHQYFSXJSGQG-MJGOQNOKSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023763067 716977609 /nfs/dbraw/zinc/97/76/09/716977609.db2.gz BIKKMSNJSYOMQI-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023763067 716977612 /nfs/dbraw/zinc/97/76/12/716977612.db2.gz BIKKMSNJSYOMQI-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763716 716977979 /nfs/dbraw/zinc/97/79/79/716977979.db2.gz YZYNBHYENJLMFB-WMZOPIPTSA-N 1 3 349.494 2.938 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734394 717161599 /nfs/dbraw/zinc/16/15/99/717161599.db2.gz YLEFMOMUEHFUPV-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734394 717161600 /nfs/dbraw/zinc/16/16/00/717161600.db2.gz YLEFMOMUEHFUPV-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001024016434 717208560 /nfs/dbraw/zinc/20/85/60/717208560.db2.gz FRNNCYXWPIGWBI-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404747 717218253 /nfs/dbraw/zinc/21/82/53/717218253.db2.gz CRCRDUINPVQFKX-PKOBYXMFSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404747 717218254 /nfs/dbraw/zinc/21/82/54/717218254.db2.gz CRCRDUINPVQFKX-PKOBYXMFSA-N 1 3 329.488 2.685 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406082 717219926 /nfs/dbraw/zinc/21/99/26/717219926.db2.gz MYXMGBZLQRLHAZ-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406082 717219931 /nfs/dbraw/zinc/21/99/31/717219931.db2.gz MYXMGBZLQRLHAZ-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC001024018873 717221117 /nfs/dbraw/zinc/22/11/17/717221117.db2.gz STBDUFIZMRQSNY-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980407495 717222272 /nfs/dbraw/zinc/22/22/72/717222272.db2.gz YMWYDWFSPLLULY-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980407495 717222276 /nfs/dbraw/zinc/22/22/76/717222276.db2.gz YMWYDWFSPLLULY-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024027089 717237309 /nfs/dbraw/zinc/23/73/09/717237309.db2.gz OKYRQMIEHRQKHY-RDJZCZTQSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930071 717242968 /nfs/dbraw/zinc/24/29/68/717242968.db2.gz MLEKVAHZBAJBLY-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930071 717242971 /nfs/dbraw/zinc/24/29/71/717242971.db2.gz MLEKVAHZBAJBLY-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930070 717243129 /nfs/dbraw/zinc/24/31/29/717243129.db2.gz MLEKVAHZBAJBLY-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930070 717243134 /nfs/dbraw/zinc/24/31/34/717243134.db2.gz MLEKVAHZBAJBLY-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001024039150 717249438 /nfs/dbraw/zinc/24/94/38/717249438.db2.gz QBAZUHCZNCFDBE-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001024039330 717250109 /nfs/dbraw/zinc/25/01/09/717250109.db2.gz UODNLBASNGBYDV-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CCC3CC3)C2)c1 ZINC000980471850 717310017 /nfs/dbraw/zinc/31/00/17/717310017.db2.gz PPWJVZUCMXZHNE-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)c1 ZINC000980471850 717310020 /nfs/dbraw/zinc/31/00/20/717310020.db2.gz PPWJVZUCMXZHNE-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1 ZINC000980478928 717322109 /nfs/dbraw/zinc/32/21/09/717322109.db2.gz RVENYQOEBHYTRM-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC000980478928 717322113 /nfs/dbraw/zinc/32/21/13/717322113.db2.gz RVENYQOEBHYTRM-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC000980479784 717323584 /nfs/dbraw/zinc/32/35/84/717323584.db2.gz XLNBVAXIBHBEOL-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC000980479784 717323587 /nfs/dbraw/zinc/32/35/87/717323587.db2.gz XLNBVAXIBHBEOL-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483683 717323858 /nfs/dbraw/zinc/32/38/58/717323858.db2.gz RNXMLTHDLILLCA-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483683 717323862 /nfs/dbraw/zinc/32/38/62/717323862.db2.gz RNXMLTHDLILLCA-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000980486087 717329300 /nfs/dbraw/zinc/32/93/00/717329300.db2.gz QGDUDHBKMKLCHS-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000980486087 717329301 /nfs/dbraw/zinc/32/93/01/717329301.db2.gz QGDUDHBKMKLCHS-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001024140205 717388521 /nfs/dbraw/zinc/38/85/21/717388521.db2.gz ZJTGPZDRHCDWMK-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001024139054 717395623 /nfs/dbraw/zinc/39/56/23/717395623.db2.gz BHOGPPMHFMDSFP-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001024139169 717396475 /nfs/dbraw/zinc/39/64/75/717396475.db2.gz FLFQLGQLQWQFEH-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024139867 717402266 /nfs/dbraw/zinc/40/22/66/717402266.db2.gz PWZSEEWUEMPOSW-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001024155858 717449903 /nfs/dbraw/zinc/44/99/03/717449903.db2.gz BIYNLOKYEXOVJX-PKOBYXMFSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001024156075 717450574 /nfs/dbraw/zinc/45/05/74/717450574.db2.gz HUQYCVOZROENIN-DLBZAZTESA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001024156456 717450792 /nfs/dbraw/zinc/45/07/92/717450792.db2.gz NXGRFBWPWKUUFW-WBVHZDCISA-N 1 3 349.544 2.727 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001024156795 717451380 /nfs/dbraw/zinc/45/13/80/717451380.db2.gz UIYKXIGISKLKHY-SJORKVTESA-N 1 3 335.536 2.593 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3)C2)C1 ZINC001024157192 717454269 /nfs/dbraw/zinc/45/42/69/717454269.db2.gz XZTFSGIWXQOXAI-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024157256 717454536 /nfs/dbraw/zinc/45/45/36/717454536.db2.gz YHFMOWPPRVEJOV-GOSISDBHSA-N 1 3 335.536 2.737 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001024160938 717456236 /nfs/dbraw/zinc/45/62/36/717456236.db2.gz CKDHDCARMHOHQQ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001024161162 717456998 /nfs/dbraw/zinc/45/69/98/717456998.db2.gz HGNMPXGLPQMYER-WBVHZDCISA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001024161989 717457036 /nfs/dbraw/zinc/45/70/36/717457036.db2.gz QBAZUHCZNCFDBE-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001024162770 717458371 /nfs/dbraw/zinc/45/83/71/717458371.db2.gz ZUSXZXMGIBCASR-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001024178727 717477063 /nfs/dbraw/zinc/47/70/63/717477063.db2.gz DEWNGQVAALREMN-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2F)CN1C(=O)CN(C)C1CCC1 ZINC000980605705 717477036 /nfs/dbraw/zinc/47/70/36/717477036.db2.gz VOQZTKVWUFWZKU-HOTGVXAUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001024178532 717477218 /nfs/dbraw/zinc/47/72/18/717477218.db2.gz AHVJALKMSLNNQD-HZPDHXFCSA-N 1 3 326.444 2.542 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024185801 717484450 /nfs/dbraw/zinc/48/44/50/717484450.db2.gz HAISNTUJLNAQJU-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000980606912 717487383 /nfs/dbraw/zinc/48/73/83/717487383.db2.gz ITUFGNVLXRMFIR-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CC3=CCCCC3)CC2)CCC1 ZINC000985476189 724451782 /nfs/dbraw/zinc/45/17/82/724451782.db2.gz ZGSXKMJYZNJEQW-UHFFFAOYSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CC3=CCCCC3)CC2)CCC1 ZINC000985476189 724451783 /nfs/dbraw/zinc/45/17/83/724451783.db2.gz ZGSXKMJYZNJEQW-UHFFFAOYSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703945 717609177 /nfs/dbraw/zinc/60/91/77/717609177.db2.gz JNWCZGGEDKKAHY-FUHWJXTLSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cc1F ZINC001027971684 717679015 /nfs/dbraw/zinc/67/90/15/717679015.db2.gz JVKOLGCFYKBTJR-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1F ZINC001027971684 717679016 /nfs/dbraw/zinc/67/90/16/717679016.db2.gz JVKOLGCFYKBTJR-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCCN2C)cc1F ZINC001027971684 717679017 /nfs/dbraw/zinc/67/90/17/717679017.db2.gz JVKOLGCFYKBTJR-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCCN2C)cc1F ZINC001027971684 717679018 /nfs/dbraw/zinc/67/90/18/717679018.db2.gz JVKOLGCFYKBTJR-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1)N(C)C ZINC000985480992 724462969 /nfs/dbraw/zinc/46/29/69/724462969.db2.gz JAYKKLXRCZKTOC-KRWDZBQOSA-N 1 3 337.533 2.757 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1)N(C)C ZINC000985480992 724462971 /nfs/dbraw/zinc/46/29/71/724462971.db2.gz JAYKKLXRCZKTOC-KRWDZBQOSA-N 1 3 337.533 2.757 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001024446529 717729414 /nfs/dbraw/zinc/72/94/14/717729414.db2.gz DZNZTEIMWUOXHR-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001024446529 717729417 /nfs/dbraw/zinc/72/94/17/717729417.db2.gz DZNZTEIMWUOXHR-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027878946 717743217 /nfs/dbraw/zinc/74/32/17/717743217.db2.gz KSGVWVOWCMTATN-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027878946 717743219 /nfs/dbraw/zinc/74/32/19/717743219.db2.gz KSGVWVOWCMTATN-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980798334 717761865 /nfs/dbraw/zinc/76/18/65/717761865.db2.gz ABAQQBYFPVSSTM-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980798335 717761913 /nfs/dbraw/zinc/76/19/13/717761913.db2.gz ABAQQBYFPVSSTM-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1F ZINC000980800297 717762814 /nfs/dbraw/zinc/76/28/14/717762814.db2.gz PDJQATHTYVPQJW-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800482 717763341 /nfs/dbraw/zinc/76/33/41/717763341.db2.gz QDGTXSZRPFAJNP-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980799594 717773893 /nfs/dbraw/zinc/77/38/93/717773893.db2.gz IZZREUDRDMUKLS-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000980799509 717773921 /nfs/dbraw/zinc/77/39/21/717773921.db2.gz IIWYPJLJTHFVLJ-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000980799418 717773997 /nfs/dbraw/zinc/77/39/97/717773997.db2.gz HLISFLVKXVGHKD-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811165 717782188 /nfs/dbraw/zinc/78/21/88/717782188.db2.gz IQBWBHXMFNNNHU-YJBOKZPZSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027986595 717788453 /nfs/dbraw/zinc/78/84/53/717788453.db2.gz ZCDXMNQBGNIYDV-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001027986595 717788456 /nfs/dbraw/zinc/78/84/56/717788456.db2.gz ZCDXMNQBGNIYDV-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(CN2CCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC001027992895 717818793 /nfs/dbraw/zinc/81/87/93/717818793.db2.gz HEBYAZFYGYMRDL-IBGZPJMESA-N 1 3 341.499 2.704 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001029756586 724471879 /nfs/dbraw/zinc/47/18/79/724471879.db2.gz XYBAFGTWYPCDQD-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001029756586 724471880 /nfs/dbraw/zinc/47/18/80/724471880.db2.gz XYBAFGTWYPCDQD-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001029754788 724473996 /nfs/dbraw/zinc/47/39/96/724473996.db2.gz DAIHHLRFXSSTFL-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001029754788 724473998 /nfs/dbraw/zinc/47/39/98/724473998.db2.gz DAIHHLRFXSSTFL-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514324 717855367 /nfs/dbraw/zinc/85/53/67/717855367.db2.gz XRRXVGHNJALRGV-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024514324 717855368 /nfs/dbraw/zinc/85/53/68/717855368.db2.gz XRRXVGHNJALRGV-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024514324 717855369 /nfs/dbraw/zinc/85/53/69/717855369.db2.gz XRRXVGHNJALRGV-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514324 717855370 /nfs/dbraw/zinc/85/53/70/717855370.db2.gz XRRXVGHNJALRGV-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccsc1 ZINC001024514324 717855371 /nfs/dbraw/zinc/85/53/71/717855371.db2.gz XRRXVGHNJALRGV-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980174258 717858525 /nfs/dbraw/zinc/85/85/25/717858525.db2.gz UMFVGQVIMYAUKR-BZSNNMDCSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980174258 717858531 /nfs/dbraw/zinc/85/85/31/717858531.db2.gz UMFVGQVIMYAUKR-BZSNNMDCSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001029754947 724474513 /nfs/dbraw/zinc/47/45/13/724474513.db2.gz GTINHXZEDRPXEL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001029754947 724474514 /nfs/dbraw/zinc/47/45/14/724474514.db2.gz GTINHXZEDRPXEL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001029755156 724474753 /nfs/dbraw/zinc/47/47/53/724474753.db2.gz IOEZSXDTNALEMI-QUCCMNQESA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001029755156 724474755 /nfs/dbraw/zinc/47/47/55/724474755.db2.gz IOEZSXDTNALEMI-QUCCMNQESA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001029760040 724480300 /nfs/dbraw/zinc/48/03/00/724480300.db2.gz GECKDFSGFPDYMR-ICSRJNTNSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001029760040 724480301 /nfs/dbraw/zinc/48/03/01/724480301.db2.gz GECKDFSGFPDYMR-ICSRJNTNSA-N 1 3 345.531 2.862 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2F)C1)C1CCC1 ZINC001029755774 724475596 /nfs/dbraw/zinc/47/55/96/724475596.db2.gz TWTJXOJQABXXQM-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1)C1CCC1 ZINC001029755774 724475598 /nfs/dbraw/zinc/47/55/98/724475598.db2.gz TWTJXOJQABXXQM-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001029755390 724475620 /nfs/dbraw/zinc/47/56/20/724475620.db2.gz KZFIXUZQTQWADX-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001029755390 724475625 /nfs/dbraw/zinc/47/56/25/724475625.db2.gz KZFIXUZQTQWADX-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904543 724476067 /nfs/dbraw/zinc/47/60/67/724476067.db2.gz YBBAXPQKWMOSIY-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904543 724476070 /nfs/dbraw/zinc/47/60/70/724476070.db2.gz YBBAXPQKWMOSIY-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904427 724477375 /nfs/dbraw/zinc/47/73/75/724477375.db2.gz VZKMKIZVNQOGNQ-GOSISDBHSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904427 724477376 /nfs/dbraw/zinc/47/73/76/724477376.db2.gz VZKMKIZVNQOGNQ-GOSISDBHSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001029760041 724480900 /nfs/dbraw/zinc/48/09/00/724480900.db2.gz GECKDFSGFPDYMR-QUCCMNQESA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001029760041 724480903 /nfs/dbraw/zinc/48/09/03/724480903.db2.gz GECKDFSGFPDYMR-QUCCMNQESA-N 1 3 345.531 2.862 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001027918616 718095564 /nfs/dbraw/zinc/09/55/64/718095564.db2.gz OXOXEZSUFUMYBU-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC001027918616 718095567 /nfs/dbraw/zinc/09/55/67/718095567.db2.gz OXOXEZSUFUMYBU-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029767671 724485883 /nfs/dbraw/zinc/48/58/83/724485883.db2.gz XNGAKOBRGICIPA-RTBURBONSA-N 1 3 349.494 2.777 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029767671 724485884 /nfs/dbraw/zinc/48/58/84/724485884.db2.gz XNGAKOBRGICIPA-RTBURBONSA-N 1 3 349.494 2.777 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029760994 724483577 /nfs/dbraw/zinc/48/35/77/724483577.db2.gz IKZIZMQRYHYGPO-WMZOPIPTSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029760994 724483578 /nfs/dbraw/zinc/48/35/78/724483578.db2.gz IKZIZMQRYHYGPO-WMZOPIPTSA-N 1 3 337.552 2.789 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152738 718157761 /nfs/dbraw/zinc/15/77/61/718157761.db2.gz OANKGGDQVDUAIX-UXHICEINSA-N 1 3 345.531 2.896 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152738 718157762 /nfs/dbraw/zinc/15/77/62/718157762.db2.gz OANKGGDQVDUAIX-UXHICEINSA-N 1 3 345.531 2.896 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800990 718168425 /nfs/dbraw/zinc/16/84/25/718168425.db2.gz KIZJMHMZJFPPDH-RTBURBONSA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800990 718168426 /nfs/dbraw/zinc/16/84/26/718168426.db2.gz KIZJMHMZJFPPDH-RTBURBONSA-N 1 3 347.478 2.579 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001024803157 718169512 /nfs/dbraw/zinc/16/95/12/718169512.db2.gz GCBFVPXRZRKEGH-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001024803157 718169513 /nfs/dbraw/zinc/16/95/13/718169513.db2.gz GCBFVPXRZRKEGH-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)CC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC1 ZINC000923782466 718201060 /nfs/dbraw/zinc/20/10/60/718201060.db2.gz NMLUJUMSDQFJAF-UHFFFAOYSA-N 1 3 326.444 2.926 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001024982199 718247432 /nfs/dbraw/zinc/24/74/32/718247432.db2.gz IDOZEAIASDUVFS-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001024985626 718249539 /nfs/dbraw/zinc/24/95/39/718249539.db2.gz RFPLSOGLPDXIJJ-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001024985375 718249545 /nfs/dbraw/zinc/24/95/45/718249545.db2.gz OEURTGGJFBEWOU-OALUTQOASA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001024985843 718250033 /nfs/dbraw/zinc/25/00/33/718250033.db2.gz UJBUKQHXEYIWFT-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001024986631 718250289 /nfs/dbraw/zinc/25/02/89/718250289.db2.gz YQVSNGIWXRIODO-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001024998830 718255591 /nfs/dbraw/zinc/25/55/91/718255591.db2.gz LKESXOVTLGDEIJ-RTBURBONSA-N 1 3 346.519 2.509 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001029770144 724495080 /nfs/dbraw/zinc/49/50/80/724495080.db2.gz UERYMYMTVJBLDJ-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001029770144 724495083 /nfs/dbraw/zinc/49/50/83/724495083.db2.gz UERYMYMTVJBLDJ-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029910519 724497096 /nfs/dbraw/zinc/49/70/96/724497096.db2.gz NZAABVPMIJULMZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029910519 724497099 /nfs/dbraw/zinc/49/70/99/724497099.db2.gz NZAABVPMIJULMZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001025083576 718349744 /nfs/dbraw/zinc/34/97/44/718349744.db2.gz AMWLZXCDWABWLI-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025084719 718350174 /nfs/dbraw/zinc/35/01/74/718350174.db2.gz FVNGTYQSQKEBNM-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025084719 718350175 /nfs/dbraw/zinc/35/01/75/718350175.db2.gz FVNGTYQSQKEBNM-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001025084717 718350246 /nfs/dbraw/zinc/35/02/46/718350246.db2.gz FUZSMFPCYKZDPC-QGZVFWFLSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001025084875 718350265 /nfs/dbraw/zinc/35/02/65/718350265.db2.gz KBYSGUFGHRKLPN-CRAIPNDOSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001025085975 718350959 /nfs/dbraw/zinc/35/09/59/718350959.db2.gz YSVQCUPIFCNERX-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001025085604 718351302 /nfs/dbraw/zinc/35/13/02/718351302.db2.gz ULTOCLRDATWEPT-YLJYHZDGSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001025085564 718351411 /nfs/dbraw/zinc/35/14/11/718351411.db2.gz SIHPZZUSSYRSGW-FUHWJXTLSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001025085564 718351413 /nfs/dbraw/zinc/35/14/13/718351413.db2.gz SIHPZZUSSYRSGW-FUHWJXTLSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001025086935 718351751 /nfs/dbraw/zinc/35/17/51/718351751.db2.gz LKESXOVTLGDEIJ-MOPGFXCFSA-N 1 3 346.519 2.509 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccsc2)CC1 ZINC001025121487 718373437 /nfs/dbraw/zinc/37/34/37/718373437.db2.gz ASJGQUUQRJPSPN-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025138490 718383945 /nfs/dbraw/zinc/38/39/45/718383945.db2.gz ORLIUSGANDICIK-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025138490 718383946 /nfs/dbraw/zinc/38/39/46/718383946.db2.gz ORLIUSGANDICIK-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001025158762 718391195 /nfs/dbraw/zinc/39/11/95/718391195.db2.gz VAFHZTLNCXFDHA-DLBZAZTESA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001025158762 718391197 /nfs/dbraw/zinc/39/11/97/718391197.db2.gz VAFHZTLNCXFDHA-DLBZAZTESA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000981194233 718491307 /nfs/dbraw/zinc/49/13/07/718491307.db2.gz NXCIPJVIFKOYLP-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000981194233 718491309 /nfs/dbraw/zinc/49/13/09/718491309.db2.gz NXCIPJVIFKOYLP-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045928 718495313 /nfs/dbraw/zinc/49/53/13/718495313.db2.gz TZXBVRHPTKQTRP-LJQANCHMSA-N 1 3 343.515 2.951 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CNCC2(CCOCC2)C1 ZINC000925797121 718515180 /nfs/dbraw/zinc/51/51/80/718515180.db2.gz UBWZALUJTAVDLJ-LPHOPBHVSA-N 1 3 330.472 2.821 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981282313 718595960 /nfs/dbraw/zinc/59/59/60/718595960.db2.gz CAIWWGWMMGYTCZ-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981282313 718595963 /nfs/dbraw/zinc/59/59/63/718595963.db2.gz CAIWWGWMMGYTCZ-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981332398 718633588 /nfs/dbraw/zinc/63/35/88/718633588.db2.gz WSAUCVNZAZGEPV-IRXDYDNUSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981332398 718633590 /nfs/dbraw/zinc/63/35/90/718633590.db2.gz WSAUCVNZAZGEPV-IRXDYDNUSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332383 718633801 /nfs/dbraw/zinc/63/38/01/718633801.db2.gz WETODLKYDCBXGP-FUHWJXTLSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332383 718633804 /nfs/dbraw/zinc/63/38/04/718633804.db2.gz WETODLKYDCBXGP-FUHWJXTLSA-N 1 3 339.499 2.676 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000925806273 718676448 /nfs/dbraw/zinc/67/64/48/718676448.db2.gz ZJBAUXGHDYANQN-NSHDSACASA-N 1 3 341.381 2.723 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1)N(C)C ZINC000981387967 718677608 /nfs/dbraw/zinc/67/76/08/718677608.db2.gz WAGXQKMPSLRSLD-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1)N(C)C ZINC000981387967 718677610 /nfs/dbraw/zinc/67/76/10/718677610.db2.gz WAGXQKMPSLRSLD-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000981485103 718753326 /nfs/dbraw/zinc/75/33/26/718753326.db2.gz GPOFZSDPAALENW-ZWKOTPCHSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000981485101 718753581 /nfs/dbraw/zinc/75/35/81/718753581.db2.gz GPOFZSDPAALENW-QZTJIDSGSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000981486248 718754567 /nfs/dbraw/zinc/75/45/67/718754567.db2.gz NAZVRICUDWQNAZ-ZWKOTPCHSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000981486615 718754609 /nfs/dbraw/zinc/75/46/09/718754609.db2.gz OOBQBOPJFBKIFX-ZWKOTPCHSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000981488212 718755770 /nfs/dbraw/zinc/75/57/70/718755770.db2.gz VCOXFWZSJIZCEH-SJORKVTESA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000981488210 718755803 /nfs/dbraw/zinc/75/58/03/718755803.db2.gz VCOXFWZSJIZCEH-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038327305 718770373 /nfs/dbraw/zinc/77/03/73/718770373.db2.gz JCNRNXKJBZEQTO-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038327305 718770375 /nfs/dbraw/zinc/77/03/75/718770375.db2.gz JCNRNXKJBZEQTO-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327305 718770376 /nfs/dbraw/zinc/77/03/76/718770376.db2.gz JCNRNXKJBZEQTO-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327305 718770378 /nfs/dbraw/zinc/77/03/78/718770378.db2.gz JCNRNXKJBZEQTO-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC001028098706 718782250 /nfs/dbraw/zinc/78/22/50/718782250.db2.gz VARXMESRVGHIHR-JCGIZDLHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC001028098706 718782251 /nfs/dbraw/zinc/78/22/51/718782251.db2.gz VARXMESRVGHIHR-JCGIZDLHSA-N 1 3 349.544 2.867 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC000981536318 718795438 /nfs/dbraw/zinc/79/54/38/718795438.db2.gz AVFFNAXKSGWMKM-RTBURBONSA-N 1 3 329.488 2.789 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1 ZINC001164390031 718825650 /nfs/dbraw/zinc/82/56/50/718825650.db2.gz LEYTUIJPCZEKTK-OTWHNJEPSA-N 1 3 344.503 2.586 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1 ZINC001164390031 718825651 /nfs/dbraw/zinc/82/56/51/718825651.db2.gz LEYTUIJPCZEKTK-OTWHNJEPSA-N 1 3 344.503 2.586 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCN(CCCC2CCC2)CC1 ZINC000981682372 718949756 /nfs/dbraw/zinc/94/97/56/718949756.db2.gz MOVGBRVHBQVCGR-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981769026 719028404 /nfs/dbraw/zinc/02/84/04/719028404.db2.gz XBBOYQQBAZBQEK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981769026 719028407 /nfs/dbraw/zinc/02/84/07/719028407.db2.gz XBBOYQQBAZBQEK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2)C1CCC1 ZINC000981816243 719079266 /nfs/dbraw/zinc/07/92/66/719079266.db2.gz SIJDGZUHSNYIKM-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2)C1CCC1 ZINC000981816243 719079268 /nfs/dbraw/zinc/07/92/68/719079268.db2.gz SIJDGZUHSNYIKM-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cc(O)cc(Cl)c3)CC2)CC1 ZINC000892762784 719141329 /nfs/dbraw/zinc/14/13/29/719141329.db2.gz IZWDXTIVFWCYMM-UHFFFAOYSA-N 1 3 337.895 2.694 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981868454 719146402 /nfs/dbraw/zinc/14/64/02/719146402.db2.gz VULAFAVQAZXRAB-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1)[NH+](C)C ZINC000981898023 719178129 /nfs/dbraw/zinc/17/81/29/719178129.db2.gz FOWCBIPLTMZOAI-WOJBJXKFSA-N 1 3 343.515 2.794 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025627725 719248685 /nfs/dbraw/zinc/24/86/85/719248685.db2.gz LBALXKCHOPNMJE-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025627725 719248688 /nfs/dbraw/zinc/24/86/88/719248688.db2.gz LBALXKCHOPNMJE-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627310 719251221 /nfs/dbraw/zinc/25/12/21/719251221.db2.gz INGYTXJGEIDPMJ-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627310 719251223 /nfs/dbraw/zinc/25/12/23/719251223.db2.gz INGYTXJGEIDPMJ-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001025630965 719258711 /nfs/dbraw/zinc/25/87/11/719258711.db2.gz XNXPWHDWOSDGKU-IRXDYDNUSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001025630965 719258712 /nfs/dbraw/zinc/25/87/12/719258712.db2.gz XNXPWHDWOSDGKU-IRXDYDNUSA-N 1 3 349.494 2.938 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631009 719258958 /nfs/dbraw/zinc/25/89/58/719258958.db2.gz YEHVYOCHRSRQNA-IRXDYDNUSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631009 719258961 /nfs/dbraw/zinc/25/89/61/719258961.db2.gz YEHVYOCHRSRQNA-IRXDYDNUSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025779015 719313297 /nfs/dbraw/zinc/31/32/97/719313297.db2.gz OQKVZEBXGFGSSQ-LGKHCZOZSA-N 1 3 341.499 2.667 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025779015 719313298 /nfs/dbraw/zinc/31/32/98/719313298.db2.gz OQKVZEBXGFGSSQ-LGKHCZOZSA-N 1 3 341.499 2.667 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2[C@H]3[C@H]4C[C@@H]2C[C@H]4CN3C(=O)OC(C)(C)C)C1 ZINC000328574708 719325989 /nfs/dbraw/zinc/32/59/89/719325989.db2.gz XDOVCMZELVHVFN-OIGKAMSRSA-N 1 3 349.519 2.562 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2[C@H]3[C@H]4C[C@@H]2C[C@@H]4CN3C(=O)OC(C)(C)C)C1 ZINC000328574709 719326047 /nfs/dbraw/zinc/32/60/47/719326047.db2.gz XDOVCMZELVHVFN-UCIFAOBLSA-N 1 3 349.519 2.562 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001019775044 719382868 /nfs/dbraw/zinc/38/28/68/719382868.db2.gz UJGOBJQZCFCOIO-FQEVSTJZSA-N 1 3 341.499 2.740 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982011387 719435824 /nfs/dbraw/zinc/43/58/24/719435824.db2.gz ABZGVTULBCAQMP-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982011387 719435828 /nfs/dbraw/zinc/43/58/28/719435828.db2.gz ABZGVTULBCAQMP-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012249 719436713 /nfs/dbraw/zinc/43/67/13/719436713.db2.gz TXEZMKWJODZPDE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC000982012249 719436715 /nfs/dbraw/zinc/43/67/15/719436715.db2.gz TXEZMKWJODZPDE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000982019120 719447590 /nfs/dbraw/zinc/44/75/90/719447590.db2.gz QSIXYJHFAIXFJN-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000982019120 719447593 /nfs/dbraw/zinc/44/75/93/719447593.db2.gz QSIXYJHFAIXFJN-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)N1CCCCC1 ZINC001020151442 719458442 /nfs/dbraw/zinc/45/84/42/719458442.db2.gz XPEDFIGVDKSXLQ-IYARVYRRSA-N 1 3 333.520 2.988 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000982052413 719507053 /nfs/dbraw/zinc/50/70/53/719507053.db2.gz JBVRENBEDOIOPI-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000982052413 719507056 /nfs/dbraw/zinc/50/70/56/719507056.db2.gz JBVRENBEDOIOPI-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163521 719607816 /nfs/dbraw/zinc/60/78/16/719607816.db2.gz DLNUVUNJDLGSJU-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163521 719607819 /nfs/dbraw/zinc/60/78/19/719607819.db2.gz DLNUVUNJDLGSJU-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159703 719618693 /nfs/dbraw/zinc/61/86/93/719618693.db2.gz LGEREYGQHQBICC-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982159703 719618695 /nfs/dbraw/zinc/61/86/95/719618695.db2.gz LGEREYGQHQBICC-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982160936 719619489 /nfs/dbraw/zinc/61/94/89/719619489.db2.gz GIQLISUWTDMZPH-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982160936 719619495 /nfs/dbraw/zinc/61/94/95/719619495.db2.gz GIQLISUWTDMZPH-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161357 719620137 /nfs/dbraw/zinc/62/01/37/719620137.db2.gz PPOXIEKQIWUTOK-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161357 719620139 /nfs/dbraw/zinc/62/01/39/719620139.db2.gz PPOXIEKQIWUTOK-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982161635 719620484 /nfs/dbraw/zinc/62/04/84/719620484.db2.gz YYRPYDMPLSWISN-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982161635 719620487 /nfs/dbraw/zinc/62/04/87/719620487.db2.gz YYRPYDMPLSWISN-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353849 719751956 /nfs/dbraw/zinc/75/19/56/719751956.db2.gz PQEBYTKPYZPLLF-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353849 719751958 /nfs/dbraw/zinc/75/19/58/719751958.db2.gz PQEBYTKPYZPLLF-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982292230 719821171 /nfs/dbraw/zinc/82/11/71/719821171.db2.gz BOZCGPUMMCWKBN-NRSPTQNISA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982292230 719821175 /nfs/dbraw/zinc/82/11/75/719821175.db2.gz BOZCGPUMMCWKBN-NRSPTQNISA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982292231 719821863 /nfs/dbraw/zinc/82/18/63/719821863.db2.gz BOZCGPUMMCWKBN-SESVDKBCSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982292231 719821867 /nfs/dbraw/zinc/82/18/67/719821867.db2.gz BOZCGPUMMCWKBN-SESVDKBCSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001026268310 720081032 /nfs/dbraw/zinc/08/10/32/720081032.db2.gz YEUYSYRVZNYBIO-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353838 724648978 /nfs/dbraw/zinc/64/89/78/724648978.db2.gz JONACEFVNFRCBH-BEFAXECRSA-N 1 3 347.478 2.719 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986353744 724649108 /nfs/dbraw/zinc/64/91/08/724649108.db2.gz JHQFZLDLTQSJLF-YLJYHZDGSA-N 1 3 343.515 2.867 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4ccsc4)[C@@H]3C2)CCC1 ZINC001026282695 720129770 /nfs/dbraw/zinc/12/97/70/720129770.db2.gz WMWCDXZCUVEXJE-GVDBMIGSSA-N 1 3 347.528 2.559 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986357713 724651000 /nfs/dbraw/zinc/65/10/00/724651000.db2.gz URHWQGJXYLAWPW-OXQOHEQNSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1C ZINC000986358047 724651133 /nfs/dbraw/zinc/65/11/33/724651133.db2.gz WBCDDSAXPCCFGF-PXNSSMCTSA-N 1 3 343.515 2.867 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1)C1CCC1 ZINC001026283564 720133450 /nfs/dbraw/zinc/13/34/50/720133450.db2.gz KBMAJSVMZQHYHZ-YSIASYRMSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1C ZINC000986358046 724651371 /nfs/dbraw/zinc/65/13/71/724651371.db2.gz WBCDDSAXPCCFGF-FXAWDEMLSA-N 1 3 343.515 2.867 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccccc2OCC(F)F)CC1 ZINC000894018268 720220706 /nfs/dbraw/zinc/22/07/06/720220706.db2.gz ZCWRUPGTGJVIAQ-UHFFFAOYSA-N 1 3 342.430 2.873 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986352028 724659611 /nfs/dbraw/zinc/65/96/11/724659611.db2.gz FIZBJNHKLSEDAK-XLIONFOSSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986353111 724660011 /nfs/dbraw/zinc/66/00/11/724660011.db2.gz IWEAZHVGYHNOMR-FXAWDEMLSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ncoc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000894075513 720268938 /nfs/dbraw/zinc/26/89/38/720268938.db2.gz HDNJTONQFKEQJQ-UHFFFAOYSA-N 1 3 334.508 2.611 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000894075914 720269529 /nfs/dbraw/zinc/26/95/29/720269529.db2.gz JOXYPSNGHCWQDS-GXOYNTHASA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000894075914 720269531 /nfs/dbraw/zinc/26/95/31/720269531.db2.gz JOXYPSNGHCWQDS-GXOYNTHASA-N 1 3 331.479 2.797 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001029829099 724664049 /nfs/dbraw/zinc/66/40/49/724664049.db2.gz UKEGFVUBIYJOOP-WOJBJXKFSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001029829099 724664051 /nfs/dbraw/zinc/66/40/51/724664051.db2.gz UKEGFVUBIYJOOP-WOJBJXKFSA-N 1 3 345.531 2.862 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029830787 724667255 /nfs/dbraw/zinc/66/72/55/724667255.db2.gz IKZIZMQRYHYGPO-FUHWJXTLSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029830787 724667257 /nfs/dbraw/zinc/66/72/57/724667257.db2.gz IKZIZMQRYHYGPO-FUHWJXTLSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029830487 724668592 /nfs/dbraw/zinc/66/85/92/724668592.db2.gz ZNWUJEJQHYDXDV-RBUKOAKNSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029830487 724668595 /nfs/dbraw/zinc/66/85/95/724668595.db2.gz ZNWUJEJQHYDXDV-RBUKOAKNSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028316063 720345332 /nfs/dbraw/zinc/34/53/32/720345332.db2.gz JUDZPXITJZPGBB-UXHICEINSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028316063 720345336 /nfs/dbraw/zinc/34/53/36/720345336.db2.gz JUDZPXITJZPGBB-UXHICEINSA-N 1 3 343.515 2.842 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316428 720345985 /nfs/dbraw/zinc/34/59/85/720345985.db2.gz POAPINZXSBXSEB-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316428 720345990 /nfs/dbraw/zinc/34/59/90/720345990.db2.gz POAPINZXSBXSEB-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028317079 720346916 /nfs/dbraw/zinc/34/69/16/720346916.db2.gz WSMPHRGAFMADEG-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028317079 720346922 /nfs/dbraw/zinc/34/69/22/720346922.db2.gz WSMPHRGAFMADEG-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001028332931 720373626 /nfs/dbraw/zinc/37/36/26/720373626.db2.gz HIWOXPPFWZJAKD-NLPFYKDJSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001028332931 720373628 /nfs/dbraw/zinc/37/36/28/720373628.db2.gz HIWOXPPFWZJAKD-NLPFYKDJSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001028334194 720379128 /nfs/dbraw/zinc/37/91/28/720379128.db2.gz WUHAOUZVVHXWIO-FAFZWHIHSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001028334194 720379134 /nfs/dbraw/zinc/37/91/34/720379134.db2.gz WUHAOUZVVHXWIO-FAFZWHIHSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334371 720380205 /nfs/dbraw/zinc/38/02/05/720380205.db2.gz XOKIBVACYKORRS-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334371 720380209 /nfs/dbraw/zinc/38/02/09/720380209.db2.gz XOKIBVACYKORRS-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164727936 720411652 /nfs/dbraw/zinc/41/16/52/720411652.db2.gz FIKCJVLTGWTYAW-PMACEKPBSA-N 1 3 349.482 2.930 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCC4)[C@@H]3C2)CC1 ZINC001026386915 720455545 /nfs/dbraw/zinc/45/55/45/720455545.db2.gz UNGRXNWSEWIOME-XUVXKRRUSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C)cs1 ZINC000947685580 720553560 /nfs/dbraw/zinc/55/35/60/720553560.db2.gz NRVBXMCLUOHMHW-RDTXWAMCSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]12 ZINC001026425052 720554640 /nfs/dbraw/zinc/55/46/40/720554640.db2.gz BCNVYZYTYGXVNQ-VAMGGRTRSA-N 1 3 343.515 2.844 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CC2(CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001038393624 720570169 /nfs/dbraw/zinc/57/01/69/720570169.db2.gz IVNXEEXXTNBJHM-SFHVURJKSA-N 1 3 345.531 2.633 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001029840338 724689704 /nfs/dbraw/zinc/68/97/04/724689704.db2.gz WSIJNJSMZKNEEO-ICSRJNTNSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001029840338 724689705 /nfs/dbraw/zinc/68/97/05/724689705.db2.gz WSIJNJSMZKNEEO-ICSRJNTNSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840063 724689793 /nfs/dbraw/zinc/68/97/93/724689793.db2.gz PKBFPMOTRAKRPJ-IAGOWNOFSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840063 724689794 /nfs/dbraw/zinc/68/97/94/724689794.db2.gz PKBFPMOTRAKRPJ-IAGOWNOFSA-N 1 3 335.536 2.545 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001029840275 724690303 /nfs/dbraw/zinc/69/03/03/724690303.db2.gz VLPZMRBNUTZNTD-AZUAARDMSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001029840275 724690306 /nfs/dbraw/zinc/69/03/06/724690306.db2.gz VLPZMRBNUTZNTD-AZUAARDMSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029841477 724691505 /nfs/dbraw/zinc/69/15/05/724691505.db2.gz IVUQNFNRDYHKSE-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029841477 724691506 /nfs/dbraw/zinc/69/15/06/724691506.db2.gz IVUQNFNRDYHKSE-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001029842576 724695597 /nfs/dbraw/zinc/69/55/97/724695597.db2.gz SMBNUZHOKLIZCJ-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001029842576 724695599 /nfs/dbraw/zinc/69/55/99/724695599.db2.gz SMBNUZHOKLIZCJ-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001029842415 724696538 /nfs/dbraw/zinc/69/65/38/724696538.db2.gz RCMHOUFERFEWAJ-LXPRWKDFSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001029842415 724696542 /nfs/dbraw/zinc/69/65/42/724696542.db2.gz RCMHOUFERFEWAJ-LXPRWKDFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520832 720703511 /nfs/dbraw/zinc/70/35/11/720703511.db2.gz WVROZADMRJXVOY-RLLQIKCJSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520832 720703514 /nfs/dbraw/zinc/70/35/14/720703514.db2.gz WVROZADMRJXVOY-RLLQIKCJSA-N 1 3 337.552 2.789 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026561217 720748559 /nfs/dbraw/zinc/74/85/59/720748559.db2.gz SNZKZAGOOGWFSE-FAEJEUNOSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001026560967 720748966 /nfs/dbraw/zinc/74/89/66/720748966.db2.gz LYDDWQDZARFTEL-MNNVXMFVSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026561218 720749004 /nfs/dbraw/zinc/74/90/04/720749004.db2.gz SNZKZAGOOGWFSE-ZLPCBKJTSA-N 1 3 335.536 2.924 20 0 EFADHO CCC[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559189 720751597 /nfs/dbraw/zinc/75/15/97/720751597.db2.gz CMAQEGKSJNEIJD-JMLCCBQJSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)C[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559924 720752570 /nfs/dbraw/zinc/75/25/70/720752570.db2.gz WMMDXKBSQYLWPI-RJYAGPCLSA-N 1 3 341.515 2.872 20 0 EFADHO CCc1nn(C)cc1C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000310080118 720753800 /nfs/dbraw/zinc/75/38/00/720753800.db2.gz IPGYLBGXOBOKOX-FQEVSTJZSA-N 1 3 326.488 2.984 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026598381 720797573 /nfs/dbraw/zinc/79/75/73/720797573.db2.gz DHEJKJPYVYGDCL-UHFFFAOYSA-N 1 3 332.473 2.539 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CCC1CCCC1)C2 ZINC000982597864 720931211 /nfs/dbraw/zinc/93/12/11/720931211.db2.gz DOKINVPGTZBQMM-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CCC1CCCC1)C2 ZINC000982597864 720931212 /nfs/dbraw/zinc/93/12/12/720931212.db2.gz DOKINVPGTZBQMM-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028537051 720986407 /nfs/dbraw/zinc/98/64/07/720986407.db2.gz GIRVMZVUIGDQMY-AEFFLSMTSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028537051 720986408 /nfs/dbraw/zinc/98/64/08/720986408.db2.gz GIRVMZVUIGDQMY-AEFFLSMTSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028537692 720986996 /nfs/dbraw/zinc/98/69/96/720986996.db2.gz QESYSQQDUOVMOZ-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028537692 720986997 /nfs/dbraw/zinc/98/69/97/720986997.db2.gz QESYSQQDUOVMOZ-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028537535 720987534 /nfs/dbraw/zinc/98/75/34/720987534.db2.gz NABIZRDGRMTPAX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028537535 720987536 /nfs/dbraw/zinc/98/75/36/720987536.db2.gz NABIZRDGRMTPAX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001028537793 720988159 /nfs/dbraw/zinc/98/81/59/720988159.db2.gz SDTXORAZYTVSNT-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001028537793 720988161 /nfs/dbraw/zinc/98/81/61/720988161.db2.gz SDTXORAZYTVSNT-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001026734909 721005088 /nfs/dbraw/zinc/00/50/88/721005088.db2.gz WMAUKNKCWOLJIG-PXNSSMCTSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026734274 721009066 /nfs/dbraw/zinc/00/90/66/721009066.db2.gz MFAFPUGGVZOORH-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026734521 721009382 /nfs/dbraw/zinc/00/93/82/721009382.db2.gz PDEKQNUVVPBFHW-AZUAARDMSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734713 721009907 /nfs/dbraw/zinc/00/99/07/721009907.db2.gz SAQZZPBQOPMWGD-MAUKXSAKSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734712 721010196 /nfs/dbraw/zinc/01/01/96/721010196.db2.gz SAQZZPBQOPMWGD-CRAIPNDOSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001029946982 724728786 /nfs/dbraw/zinc/72/87/86/724728786.db2.gz CFPRGPLDOYBPMA-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001029946982 724728789 /nfs/dbraw/zinc/72/87/89/724728789.db2.gz CFPRGPLDOYBPMA-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC001029947238 724729442 /nfs/dbraw/zinc/72/94/42/724729442.db2.gz LRTHKNVXCJOCQS-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1 ZINC001029947238 724729444 /nfs/dbraw/zinc/72/94/44/724729444.db2.gz LRTHKNVXCJOCQS-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028579196 721091805 /nfs/dbraw/zinc/09/18/05/721091805.db2.gz BLACXCPPCMYKKQ-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028579196 721091810 /nfs/dbraw/zinc/09/18/10/721091810.db2.gz BLACXCPPCMYKKQ-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028579192 721092100 /nfs/dbraw/zinc/09/21/00/721092100.db2.gz BLACXCPPCMYKKQ-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028579192 721092104 /nfs/dbraw/zinc/09/21/04/721092104.db2.gz BLACXCPPCMYKKQ-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028579525 721099578 /nfs/dbraw/zinc/09/95/78/721099578.db2.gz GMKFEDLLCXNOEL-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028579525 721099583 /nfs/dbraw/zinc/09/95/83/721099583.db2.gz GMKFEDLLCXNOEL-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028579523 721100065 /nfs/dbraw/zinc/10/00/65/721100065.db2.gz GMKFEDLLCXNOEL-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028579523 721100068 /nfs/dbraw/zinc/10/00/68/721100068.db2.gz GMKFEDLLCXNOEL-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580412 721110400 /nfs/dbraw/zinc/11/04/00/721110400.db2.gz VVSSUAIGOXJLIH-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580412 721110403 /nfs/dbraw/zinc/11/04/03/721110403.db2.gz VVSSUAIGOXJLIH-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@H](N)CC2CCCCC2)c1 ZINC000261783102 721212566 /nfs/dbraw/zinc/21/25/66/721212566.db2.gz XZZDRIVKAZARTI-GOSISDBHSA-N 1 3 333.476 2.863 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC000985639712 724742375 /nfs/dbraw/zinc/74/23/75/724742375.db2.gz WAGCXALZZFOSHW-LJQANCHMSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC000985639712 724742378 /nfs/dbraw/zinc/74/23/78/724742378.db2.gz WAGCXALZZFOSHW-LJQANCHMSA-N 1 3 335.536 2.996 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885033 721293652 /nfs/dbraw/zinc/29/36/52/721293652.db2.gz FFCJBQINOLQWOO-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCc4ccccc43)C2)CCC1 ZINC001026885643 721294492 /nfs/dbraw/zinc/29/44/92/721294492.db2.gz KKPGJOPRQAOFBX-VQIMIIECSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001026888949 721297512 /nfs/dbraw/zinc/29/75/12/721297512.db2.gz PPUCTLZDQKTREJ-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026889174 721297964 /nfs/dbraw/zinc/29/79/64/721297964.db2.gz SQUJFEUDPKMAMM-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC001026889693 721298617 /nfs/dbraw/zinc/29/86/17/721298617.db2.gz ZRGWIENSRWMDTA-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890049 721298745 /nfs/dbraw/zinc/29/87/45/721298745.db2.gz GUJWHVMCERUVPZ-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890573 721299598 /nfs/dbraw/zinc/29/95/98/721299598.db2.gz LHXQYIQSCVWOMZ-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832362 721302958 /nfs/dbraw/zinc/30/29/58/721302958.db2.gz XBZOQWKGGHUPQV-ALFLXDJESA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832362 721302971 /nfs/dbraw/zinc/30/29/71/721302971.db2.gz XBZOQWKGGHUPQV-ALFLXDJESA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886396 721304936 /nfs/dbraw/zinc/30/49/36/721304936.db2.gz VXTBNWMAXSSFEU-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646016 724749398 /nfs/dbraw/zinc/74/93/98/724749398.db2.gz GKBDGRSCNVWARD-LJQANCHMSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985646016 724749401 /nfs/dbraw/zinc/74/94/01/724749401.db2.gz GKBDGRSCNVWARD-LJQANCHMSA-N 1 3 341.515 2.778 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832081 721305939 /nfs/dbraw/zinc/30/59/39/721305939.db2.gz UHWKIPPNHRYOTC-TZRIAGMCSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832081 721305943 /nfs/dbraw/zinc/30/59/43/721305943.db2.gz UHWKIPPNHRYOTC-TZRIAGMCSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001026888216 721308589 /nfs/dbraw/zinc/30/85/89/721308589.db2.gz APOMBYCDLTUUGU-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC001026888432 721309294 /nfs/dbraw/zinc/30/92/94/721309294.db2.gz FVWDONOFYZTPNL-ICSRJNTNSA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001026900872 721312249 /nfs/dbraw/zinc/31/22/49/721312249.db2.gz FIFYSPLCLPNGAA-AEFFLSMTSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026900730 721312253 /nfs/dbraw/zinc/31/22/53/721312253.db2.gz BAUQPIUVBWQZQZ-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901758 721313019 /nfs/dbraw/zinc/31/30/19/721313019.db2.gz SYBZMAXDFZVZHL-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985647000 724752582 /nfs/dbraw/zinc/75/25/82/724752582.db2.gz MWXYEQPCJXVUHW-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985647000 724752584 /nfs/dbraw/zinc/75/25/84/724752584.db2.gz MWXYEQPCJXVUHW-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001026916568 721343490 /nfs/dbraw/zinc/34/34/90/721343490.db2.gz KJXDUKSGGXDYPP-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001026917322 721344223 /nfs/dbraw/zinc/34/42/23/721344223.db2.gz ZRVCLDWLAYMLKB-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001026916881 721344329 /nfs/dbraw/zinc/34/43/29/721344329.db2.gz QIMUCTXJAOPCFX-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001026916880 721344398 /nfs/dbraw/zinc/34/43/98/721344398.db2.gz QIMUCTXJAOPCFX-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1 ZINC000985648118 724754996 /nfs/dbraw/zinc/75/49/96/724754996.db2.gz VHWCSSZDIHSZFD-QGZVFWFLSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC000985648118 724755000 /nfs/dbraw/zinc/75/50/00/724755000.db2.gz VHWCSSZDIHSZFD-QGZVFWFLSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729499 721364234 /nfs/dbraw/zinc/36/42/34/721364234.db2.gz MORQYIMVARCGAO-KRWDZBQOSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1 ZINC000985648729 724756656 /nfs/dbraw/zinc/75/66/56/724756656.db2.gz YEMQPDRCHCXNSM-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC000985648729 724756658 /nfs/dbraw/zinc/75/66/58/724756658.db2.gz YEMQPDRCHCXNSM-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974760426 721397155 /nfs/dbraw/zinc/39/71/55/721397155.db2.gz RCAZMJVKAIWEJQ-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974760426 721397158 /nfs/dbraw/zinc/39/71/58/721397158.db2.gz RCAZMJVKAIWEJQ-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974760428 721397349 /nfs/dbraw/zinc/39/73/49/721397349.db2.gz RCAZMJVKAIWEJQ-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974760428 721397352 /nfs/dbraw/zinc/39/73/52/721397352.db2.gz RCAZMJVKAIWEJQ-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000985652701 724761715 /nfs/dbraw/zinc/76/17/15/724761715.db2.gz HGVTWKPNEAORAM-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000985652701 724761718 /nfs/dbraw/zinc/76/17/18/724761718.db2.gz HGVTWKPNEAORAM-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCc2ccc(C)cc2)CC1)N(C)C ZINC000985654642 724763363 /nfs/dbraw/zinc/76/33/63/724763363.db2.gz BHICNDSIOONNAB-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCc2ccc(C)cc2)CC1)N(C)C ZINC000985654642 724763365 /nfs/dbraw/zinc/76/33/65/724763365.db2.gz BHICNDSIOONNAB-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864863 721486341 /nfs/dbraw/zinc/48/63/41/721486341.db2.gz RVEGOHGKCHIRIT-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864863 721486344 /nfs/dbraw/zinc/48/63/44/721486344.db2.gz RVEGOHGKCHIRIT-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001029970371 724777437 /nfs/dbraw/zinc/77/74/37/724777437.db2.gz XJDFUKSCTOXIBC-KVWWFHCMSA-N 1 3 335.536 2.543 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001029970371 724777439 /nfs/dbraw/zinc/77/74/39/724777439.db2.gz XJDFUKSCTOXIBC-KVWWFHCMSA-N 1 3 335.536 2.543 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675415 724785504 /nfs/dbraw/zinc/78/55/04/724785504.db2.gz SYHIHRUZJWMKKM-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675415 724785507 /nfs/dbraw/zinc/78/55/07/724785507.db2.gz SYHIHRUZJWMKKM-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO C[N@H+](CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675451 724785546 /nfs/dbraw/zinc/78/55/46/724785546.db2.gz UJDMEZRJUJHPKN-UHFFFAOYSA-N 1 3 330.476 2.766 20 0 EFADHO C[N@@H+](CCC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675451 724785549 /nfs/dbraw/zinc/78/55/49/724785549.db2.gz UJDMEZRJUJHPKN-UHFFFAOYSA-N 1 3 330.476 2.766 20 0 EFADHO CCc1ccc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000985675515 724785656 /nfs/dbraw/zinc/78/56/56/724785656.db2.gz VXXIEBSOMFHKAL-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO CCc1ccc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000985675515 724785658 /nfs/dbraw/zinc/78/56/58/724785658.db2.gz VXXIEBSOMFHKAL-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1F ZINC000985674792 724784093 /nfs/dbraw/zinc/78/40/93/724784093.db2.gz JHLMQAWAEGOZCF-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1F ZINC000985674792 724784096 /nfs/dbraw/zinc/78/40/96/724784096.db2.gz JHLMQAWAEGOZCF-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC001029973318 724785291 /nfs/dbraw/zinc/78/52/91/724785291.db2.gz ZUPCJUQUVGLKCY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC001029973318 724785293 /nfs/dbraw/zinc/78/52/93/724785293.db2.gz ZUPCJUQUVGLKCY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000261833722 721759106 /nfs/dbraw/zinc/75/91/06/721759106.db2.gz OKGNPGVBIMIIMY-MBOZVWFJSA-N 1 3 343.515 2.525 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1coc2ccccc21 ZINC000924964938 721918459 /nfs/dbraw/zinc/91/84/59/721918459.db2.gz MCEVMCADUVRLKD-HUUCEWRRSA-N 1 3 329.444 2.671 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@H+](C)CC3CCCC3)CC2)CC1 ZINC000985713048 724820596 /nfs/dbraw/zinc/82/05/96/724820596.db2.gz MQVKYWRBRHFIOK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)CC3CCCC3)CC2)CC1 ZINC000985713048 724820599 /nfs/dbraw/zinc/82/05/99/724820599.db2.gz MQVKYWRBRHFIOK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870808 722062740 /nfs/dbraw/zinc/06/27/40/722062740.db2.gz WLMOMGIPUPFQHC-WMZOPIPTSA-N 1 3 335.467 2.548 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028919416 722096995 /nfs/dbraw/zinc/09/69/95/722096995.db2.gz WKASTGZCGYVAQG-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028919416 722096996 /nfs/dbraw/zinc/09/69/96/722096996.db2.gz WKASTGZCGYVAQG-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000710 722617213 /nfs/dbraw/zinc/61/72/13/722617213.db2.gz IEMDZQGWGCYDTA-SFHVURJKSA-N 1 3 329.488 2.766 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000710 722617216 /nfs/dbraw/zinc/61/72/16/722617216.db2.gz IEMDZQGWGCYDTA-SFHVURJKSA-N 1 3 329.488 2.766 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](CNC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001029000473 722617425 /nfs/dbraw/zinc/61/74/25/722617425.db2.gz FIUNFNLFNUIQCZ-LXPRWKDFSA-N 1 3 343.515 2.846 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](CNC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001029000473 722617428 /nfs/dbraw/zinc/61/74/28/722617428.db2.gz FIUNFNLFNUIQCZ-LXPRWKDFSA-N 1 3 343.515 2.846 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001029000478 722617458 /nfs/dbraw/zinc/61/74/58/722617458.db2.gz FNSPLGDTCTYBCQ-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001029000478 722617460 /nfs/dbraw/zinc/61/74/60/722617460.db2.gz FNSPLGDTCTYBCQ-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000476 722617596 /nfs/dbraw/zinc/61/75/96/722617596.db2.gz FNEXKLBZLKAUSP-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000476 722617598 /nfs/dbraw/zinc/61/75/98/722617598.db2.gz FNEXKLBZLKAUSP-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001319 722618429 /nfs/dbraw/zinc/61/84/29/722618429.db2.gz UWBUCLNVJKEALI-WBVHZDCISA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001319 722618430 /nfs/dbraw/zinc/61/84/30/722618430.db2.gz UWBUCLNVJKEALI-WBVHZDCISA-N 1 3 335.467 2.548 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001029001756 722619959 /nfs/dbraw/zinc/61/99/59/722619959.db2.gz BSRLEPDOOYSYGA-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001029001756 722619960 /nfs/dbraw/zinc/61/99/60/722619960.db2.gz BSRLEPDOOYSYGA-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cc1 ZINC000939128202 728754368 /nfs/dbraw/zinc/75/43/68/728754368.db2.gz IFWQSARSEDNZIB-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065111 722725020 /nfs/dbraw/zinc/72/50/20/722725020.db2.gz CPTMALQBIDHNHW-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001029066109 722726354 /nfs/dbraw/zinc/72/63/54/722726354.db2.gz OVENBRULEJUBIV-QAPCUYQASA-N 1 3 349.544 2.867 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066360 722726384 /nfs/dbraw/zinc/72/63/84/722726384.db2.gz SEUVUMQVMXEVFI-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066407 722727344 /nfs/dbraw/zinc/72/73/44/722727344.db2.gz STUFQWLILPUKJJ-YOEHRIQHSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066578 722727476 /nfs/dbraw/zinc/72/74/76/722727476.db2.gz XEFXOISIMJSQCB-APWZRJJASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1nn(C(C)C)c(C)c1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000894458306 722742088 /nfs/dbraw/zinc/74/20/88/722742088.db2.gz OWDIIPXQOSITOZ-UHFFFAOYSA-N 1 3 347.551 2.540 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCCCC1 ZINC000939137812 728762275 /nfs/dbraw/zinc/76/22/75/728762275.db2.gz NTFVCUUHDQABHP-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO COCCOC[C@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000894554378 722781232 /nfs/dbraw/zinc/78/12/32/722781232.db2.gz ANEHXBLXXYWSKO-AZUAARDMSA-N 1 3 334.504 2.930 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C\c3cccc(F)c3)CC2)CC1 ZINC000894765588 722842023 /nfs/dbraw/zinc/84/20/23/722842023.db2.gz KKVNAYKHMCACCA-HYXAFXHYSA-N 1 3 331.479 2.798 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC000983660532 722845149 /nfs/dbraw/zinc/84/51/49/722845149.db2.gz ICRICMXBNBDITP-UFYCRDLUSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029106756 722877549 /nfs/dbraw/zinc/87/75/49/722877549.db2.gz CGQJPBLJIQLTTK-KXBFYZLASA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107285 722878348 /nfs/dbraw/zinc/87/83/48/722878348.db2.gz KANNFTJHNRQVDC-CGZBRXJRSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029109018 722879905 /nfs/dbraw/zinc/87/99/05/722879905.db2.gz YSIDUGJXEIUIBV-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029111688 722884129 /nfs/dbraw/zinc/88/41/29/722884129.db2.gz MSKKGFFKXRIMEY-VQIMIIECSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CCCC2)CC1)N(C)C ZINC001029140058 722918796 /nfs/dbraw/zinc/91/87/96/722918796.db2.gz PBCZJQXVPKKVQH-QFBILLFUSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001029143936 722922274 /nfs/dbraw/zinc/92/22/74/722922274.db2.gz DZGHXXBCIXLMGH-KXBFYZLASA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147072 722925271 /nfs/dbraw/zinc/92/52/71/722925271.db2.gz MXKCFSKIZAVERW-HZPDHXFCSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029147474 722925421 /nfs/dbraw/zinc/92/54/21/722925421.db2.gz UPVVNOQQSOVNJG-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147624 722925468 /nfs/dbraw/zinc/92/54/68/722925468.db2.gz XWJDZBVOMGCKJG-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029147475 722925498 /nfs/dbraw/zinc/92/54/98/722925498.db2.gz UPVVNOQQSOVNJG-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147175 722925556 /nfs/dbraw/zinc/92/55/56/722925556.db2.gz OAZZOQKPTSKOQC-SJORKVTESA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172698 722940943 /nfs/dbraw/zinc/94/09/43/722940943.db2.gz GKUVLIOOIHJGEV-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174154 722942138 /nfs/dbraw/zinc/94/21/38/722942138.db2.gz UZEOWHGJUOLXCB-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@@H+]3C3CCCCCC3)[C@@H]2C1 ZINC000896237724 723215290 /nfs/dbraw/zinc/21/52/90/723215290.db2.gz NNATWUPJVLEJER-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)[C@@H]2C1 ZINC000896237724 723215294 /nfs/dbraw/zinc/21/52/94/723215294.db2.gz NNATWUPJVLEJER-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000939211970 728819112 /nfs/dbraw/zinc/81/91/12/728819112.db2.gz VQFLLJSYECSRMX-YWZLYKJASA-N 1 3 348.450 2.742 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029338785 723389156 /nfs/dbraw/zinc/38/91/56/723389156.db2.gz OPECSHYCCPPGFE-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029338785 723389160 /nfs/dbraw/zinc/38/91/60/723389160.db2.gz OPECSHYCCPPGFE-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029338786 723389323 /nfs/dbraw/zinc/38/93/23/723389323.db2.gz OPECSHYCCPPGFE-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029338786 723389329 /nfs/dbraw/zinc/38/93/29/723389329.db2.gz OPECSHYCCPPGFE-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC000939208480 728816627 /nfs/dbraw/zinc/81/66/27/728816627.db2.gz CPICUUYPDGVDMR-CRAIPNDOSA-N 1 3 332.492 2.749 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896607933 723404305 /nfs/dbraw/zinc/40/43/05/723404305.db2.gz JLRUDMYBZSPCCB-NNVNDSJASA-N 1 3 348.535 2.662 20 0 EFADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC000896607268 723404326 /nfs/dbraw/zinc/40/43/26/723404326.db2.gz CZIIVDNJZFBROD-TVRKMHQQSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031802328 728820156 /nfs/dbraw/zinc/82/01/56/728820156.db2.gz PRNDIIVZYGVSMF-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031802328 728820160 /nfs/dbraw/zinc/82/01/60/728820160.db2.gz PRNDIIVZYGVSMF-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1CCCC1 ZINC001038443771 723435016 /nfs/dbraw/zinc/43/50/16/723435016.db2.gz JENJUERFXKVGHU-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1CCCC1 ZINC001038443771 723435019 /nfs/dbraw/zinc/43/50/19/723435019.db2.gz JENJUERFXKVGHU-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1CCCC1 ZINC001038443764 723435103 /nfs/dbraw/zinc/43/51/03/723435103.db2.gz JENJUERFXKVGHU-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1CCCC1 ZINC001038443764 723435106 /nfs/dbraw/zinc/43/51/06/723435106.db2.gz JENJUERFXKVGHU-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO O=C(c1ccn2cncc2c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001029380790 723492936 /nfs/dbraw/zinc/49/29/36/723492936.db2.gz LCMNUYOCLHEAOF-KDURUIRLSA-N 1 3 346.434 2.823 20 0 EFADHO O=C(c1ccn2cncc2c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001029380790 723492938 /nfs/dbraw/zinc/49/29/38/723492938.db2.gz LCMNUYOCLHEAOF-KDURUIRLSA-N 1 3 346.434 2.823 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000984798818 723494228 /nfs/dbraw/zinc/49/42/28/723494228.db2.gz CEQGQCHJYUINJN-QGPMSJSTSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC000984799846 723494451 /nfs/dbraw/zinc/49/44/51/723494451.db2.gz LREBPEAUIJTNKA-GPMSIDNRSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC000984800529 723495065 /nfs/dbraw/zinc/49/50/65/723495065.db2.gz PXFNPPHSINSPTE-FHWLQOOXSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000984804162 723495813 /nfs/dbraw/zinc/49/58/13/723495813.db2.gz MFSOQYPXUATTHP-QLBHFUSHSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000984804185 723495942 /nfs/dbraw/zinc/49/59/42/723495942.db2.gz MPISHFPGMMSHPU-DMUMMCEESA-N 1 3 343.515 2.882 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000984804513 723496010 /nfs/dbraw/zinc/49/60/10/723496010.db2.gz NSVCVSSPJUOFIY-QGPMSJSTSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1F ZINC000984806467 723496812 /nfs/dbraw/zinc/49/68/12/723496812.db2.gz YCIOBBOVQJAWNG-KBAYOESNSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC000984802890 723500630 /nfs/dbraw/zinc/50/06/30/723500630.db2.gz FBCGNLJJTWRYNH-ZMMAXQRCSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000939214562 728828794 /nfs/dbraw/zinc/82/87/94/728828794.db2.gz LTVIFNQPBYEHOX-MGPUTAFESA-N 1 3 348.450 2.742 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000896848991 723545495 /nfs/dbraw/zinc/54/54/95/723545495.db2.gz NSBBBBDLWRLVBR-AOIWGVFYSA-N 1 3 347.503 2.723 20 0 EFADHO C[C@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000918124613 728841374 /nfs/dbraw/zinc/84/13/74/728841374.db2.gz UTAGIURZBYDGBZ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000985074260 723818164 /nfs/dbraw/zinc/81/81/64/723818164.db2.gz RZNGDSATXZSOIY-KOMQPUFPSA-N 1 3 346.862 2.599 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000985147820 723884000 /nfs/dbraw/zinc/88/40/00/723884000.db2.gz FADVFMBUYQFXDF-MUIFIZLQSA-N 1 3 335.517 2.605 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000985149812 723887182 /nfs/dbraw/zinc/88/71/82/723887182.db2.gz PVQZHELFMZNDOM-PSBWJHGTSA-N 1 3 329.488 2.544 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000985151383 723887506 /nfs/dbraw/zinc/88/75/06/723887506.db2.gz XIXIVEVMGYAUCJ-KBAYOESNSA-N 1 3 349.544 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC000985151392 723887517 /nfs/dbraw/zinc/88/75/17/723887517.db2.gz XIXIVEVMGYAUCJ-SZMVWBNQSA-N 1 3 349.544 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000985150480 723889280 /nfs/dbraw/zinc/88/92/80/723889280.db2.gz RUFOTEDFHHHMIT-WDSOQIARSA-N 1 3 347.547 2.926 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000985155190 723894037 /nfs/dbraw/zinc/89/40/37/723894037.db2.gz RCTFWBOMIMPNNB-BHIYHBOVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(CC[NH+](C)C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897057657 723971245 /nfs/dbraw/zinc/97/12/45/723971245.db2.gz CRMCLTJDEHMMLH-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@@H](C)[NH+](C)C ZINC000895292936 724002923 /nfs/dbraw/zinc/00/29/23/724002923.db2.gz DSQWMLKEKYBXPA-QWHCGFSZSA-N 1 3 341.883 2.996 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895292936 724002926 /nfs/dbraw/zinc/00/29/26/724002926.db2.gz DSQWMLKEKYBXPA-QWHCGFSZSA-N 1 3 341.883 2.996 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)N(C)C ZINC000895293480 724003255 /nfs/dbraw/zinc/00/32/55/724003255.db2.gz MJASSDDEXGEDGW-OWCLPIDISA-N 1 3 327.513 2.952 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001031812160 728870453 /nfs/dbraw/zinc/87/04/53/728870453.db2.gz OGFVSLIWKBBUAO-KRWDZBQOSA-N 1 3 341.499 2.732 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327363 724128479 /nfs/dbraw/zinc/12/84/79/724128479.db2.gz FREKDSRTVZVMDX-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327363 724128481 /nfs/dbraw/zinc/12/84/81/724128481.db2.gz FREKDSRTVZVMDX-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327393 724128563 /nfs/dbraw/zinc/12/85/63/724128563.db2.gz GMAPYFQVWWOCLG-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327393 724128564 /nfs/dbraw/zinc/12/85/64/724128564.db2.gz GMAPYFQVWWOCLG-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000985334570 724135636 /nfs/dbraw/zinc/13/56/36/724135636.db2.gz ODNDVPVCSWHRGM-UXHICEINSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000985334570 724135638 /nfs/dbraw/zinc/13/56/38/724135638.db2.gz ODNDVPVCSWHRGM-UXHICEINSA-N 1 3 341.499 2.691 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000895694360 724258482 /nfs/dbraw/zinc/25/84/82/724258482.db2.gz UCKXVQVSJXBIQP-AEEMCCEDSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000895694360 724258486 /nfs/dbraw/zinc/25/84/86/724258486.db2.gz UCKXVQVSJXBIQP-AEEMCCEDSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000895694360 724258489 /nfs/dbraw/zinc/25/84/89/724258489.db2.gz UCKXVQVSJXBIQP-AEEMCCEDSA-N 1 3 332.488 2.537 20 0 EFADHO C[NH+](C)CCCNC(=S)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000727659604 724308394 /nfs/dbraw/zinc/30/83/94/724308394.db2.gz MHHURQSHZSGILG-SFHVURJKSA-N 1 3 348.560 2.629 20 0 EFADHO CCC1([NH+]2CCC2)CCN(C[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000895823214 724334135 /nfs/dbraw/zinc/33/41/35/724334135.db2.gz VGDITAQIGFOUDC-ZWKOTPCHSA-N 1 3 346.519 2.838 20 0 EFADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000895823214 724334139 /nfs/dbraw/zinc/33/41/39/724334139.db2.gz VGDITAQIGFOUDC-ZWKOTPCHSA-N 1 3 346.519 2.838 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985436863 724353339 /nfs/dbraw/zinc/35/33/39/724353339.db2.gz VGUONWOQMZGVSJ-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985436863 724353343 /nfs/dbraw/zinc/35/33/43/724353343.db2.gz VGUONWOQMZGVSJ-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029674991 724366835 /nfs/dbraw/zinc/36/68/35/724366835.db2.gz JUQVAGLDKFLHIX-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029674991 724366836 /nfs/dbraw/zinc/36/68/36/724366836.db2.gz JUQVAGLDKFLHIX-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001029459327 724375475 /nfs/dbraw/zinc/37/54/75/724375475.db2.gz UFTPXMMQOCHNRJ-FGTMMUONSA-N 1 3 335.536 2.684 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001029459327 724375478 /nfs/dbraw/zinc/37/54/78/724375478.db2.gz UFTPXMMQOCHNRJ-FGTMMUONSA-N 1 3 335.536 2.684 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)N(C)C ZINC001029459355 724375961 /nfs/dbraw/zinc/37/59/61/724375961.db2.gz VCUCNMRDGGJBJU-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)N(C)C ZINC001029459355 724375966 /nfs/dbraw/zinc/37/59/66/724375966.db2.gz VCUCNMRDGGJBJU-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO C[N@H+](CCC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789114 724886606 /nfs/dbraw/zinc/88/66/06/724886606.db2.gz IDWLQTQAVDMAKG-UHFFFAOYSA-N 1 3 333.520 2.896 20 0 EFADHO C[N@@H+](CCC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789114 724886608 /nfs/dbraw/zinc/88/66/08/724886608.db2.gz IDWLQTQAVDMAKG-UHFFFAOYSA-N 1 3 333.520 2.896 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986808662 724892571 /nfs/dbraw/zinc/89/25/71/724892571.db2.gz JJNKFOTUCOVMBA-KSSFIOAISA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940493 724962535 /nfs/dbraw/zinc/96/25/35/724962535.db2.gz QKVUTDDLCFPZGA-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC001029876064 724976557 /nfs/dbraw/zinc/97/65/57/724976557.db2.gz RTABKHMLEYZTGP-HXUWFJFHSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001029876064 724976559 /nfs/dbraw/zinc/97/65/59/724976559.db2.gz RTABKHMLEYZTGP-HXUWFJFHSA-N 1 3 343.515 2.699 20 0 EFADHO C[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029995460 724982690 /nfs/dbraw/zinc/98/26/90/724982690.db2.gz KXQJFLLTRMFGTB-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029995460 724982692 /nfs/dbraw/zinc/98/26/92/724982692.db2.gz KXQJFLLTRMFGTB-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000207 724995232 /nfs/dbraw/zinc/99/52/32/724995232.db2.gz UQVXADDALOZMTC-MRXNPFEDSA-N 1 3 340.471 2.884 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000207 724995234 /nfs/dbraw/zinc/99/52/34/724995234.db2.gz UQVXADDALOZMTC-MRXNPFEDSA-N 1 3 340.471 2.884 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008772 725459646 /nfs/dbraw/zinc/45/96/46/725459646.db2.gz DFIOTAPOHBDWMI-ZJOUEHCJSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008772 725459648 /nfs/dbraw/zinc/45/96/48/725459648.db2.gz DFIOTAPOHBDWMI-ZJOUEHCJSA-N 1 3 345.531 2.774 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987061280 725471489 /nfs/dbraw/zinc/47/14/89/725471489.db2.gz XYHVMSPBZNKDRQ-KXBFYZLASA-N 1 3 340.471 2.855 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987063699 725473638 /nfs/dbraw/zinc/47/36/38/725473638.db2.gz DFCQZIMQPDCKGB-HNAYVOBHSA-N 1 3 340.471 2.684 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071952 725483696 /nfs/dbraw/zinc/48/36/96/725483696.db2.gz YZOUOHSUDFYQOB-AUUYWEPGSA-N 1 3 338.455 2.609 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000324061781 725668032 /nfs/dbraw/zinc/66/80/32/725668032.db2.gz WLWCOANOOPGFJC-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282730 725672065 /nfs/dbraw/zinc/67/20/65/725672065.db2.gz IWRBWBSKRRTDBR-SCTDSRPQSA-N 1 3 339.499 2.580 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)C4(N(C)C)CCC4)C3)CC2)C1 ZINC001040726581 725720351 /nfs/dbraw/zinc/72/03/51/725720351.db2.gz LMHHIXZOPCTMSV-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)CN1CCCC1 ZINC000987531156 725736318 /nfs/dbraw/zinc/73/63/18/725736318.db2.gz LGPNKNFYLNRXEH-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987523998 725739153 /nfs/dbraw/zinc/73/91/53/725739153.db2.gz KXNHGNJWHXBSHQ-PXNSSMCTSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987524002 725739230 /nfs/dbraw/zinc/73/92/30/725739230.db2.gz KXNHGNJWHXBSHQ-XLIONFOSSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987533776 725741253 /nfs/dbraw/zinc/74/12/53/725741253.db2.gz UBAQTPAEYYPRPR-PXNSSMCTSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)s1 ZINC000987535788 725742417 /nfs/dbraw/zinc/74/24/17/725742417.db2.gz ZATAWXNEXGTDFD-YOEHRIQHSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569467 725759612 /nfs/dbraw/zinc/75/96/12/725759612.db2.gz XKWSXBGWUKUZOX-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987571557 725760775 /nfs/dbraw/zinc/76/07/75/725760775.db2.gz QWLFJMWDWFMYAX-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@H]4CC[N@@H+](C)C4)CCC[C@H]23)cs1 ZINC000992488937 725887521 /nfs/dbraw/zinc/88/75/21/725887521.db2.gz DMOJYARNHPDRSE-JENIJYKNSA-N 1 3 347.528 2.621 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@H]4CC[N@H+](C)C4)CCC[C@H]23)cs1 ZINC000992488937 725887523 /nfs/dbraw/zinc/88/75/23/725887523.db2.gz DMOJYARNHPDRSE-JENIJYKNSA-N 1 3 347.528 2.621 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992689686 726116330 /nfs/dbraw/zinc/11/63/30/726116330.db2.gz LIGVINFCRVKAGZ-RCCFBDPRSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC000992696284 726117095 /nfs/dbraw/zinc/11/70/95/726117095.db2.gz XEEDDAKNQAERAN-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992695665 726119361 /nfs/dbraw/zinc/11/93/61/726119361.db2.gz VEFGDCRUTXOOLG-OKZBNKHCSA-N 1 3 335.536 2.876 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCC3)[C@H]2C1)C1CCC1 ZINC000992708627 726127078 /nfs/dbraw/zinc/12/70/78/726127078.db2.gz IAMUHUZQKGGBDF-YSIASYRMSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000925280957 726260643 /nfs/dbraw/zinc/26/06/43/726260643.db2.gz CBOTYMQRXRJZLS-VQTJNVASSA-N 1 3 337.552 2.730 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC000992829088 726278472 /nfs/dbraw/zinc/27/84/72/726278472.db2.gz CMPWGUMKGJNULS-QXAKKESOSA-N 1 3 342.487 2.669 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@H]3C2)CC1 ZINC000992850562 726301157 /nfs/dbraw/zinc/30/11/57/726301157.db2.gz CAZFGNKTLKAZRD-UFYCRDLUSA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@@H]3C2)CC1 ZINC000992850569 726301321 /nfs/dbraw/zinc/30/13/21/726301321.db2.gz CAZFGNKTLKAZRD-ZCNNSNEGSA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)CCCC[NH+]1CCCC1 ZINC000729346659 726318613 /nfs/dbraw/zinc/31/86/13/726318613.db2.gz FJDJKBXPVUBQDK-UHFFFAOYSA-N 1 3 349.494 2.982 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992923829 726341026 /nfs/dbraw/zinc/34/10/26/726341026.db2.gz IINNODUGHRLYBF-YTQUADARSA-N 1 3 329.488 2.598 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000897504255 726347868 /nfs/dbraw/zinc/34/78/68/726347868.db2.gz HKMMQSRDOVAMRI-GOSISDBHSA-N 1 3 347.503 2.677 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000906790394 726416836 /nfs/dbraw/zinc/41/68/36/726416836.db2.gz SKRCEEUFFQFRKO-HOTGVXAUSA-N 1 3 345.512 2.932 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000906790394 726416837 /nfs/dbraw/zinc/41/68/37/726416837.db2.gz SKRCEEUFFQFRKO-HOTGVXAUSA-N 1 3 345.512 2.932 20 0 EFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000906790395 726416868 /nfs/dbraw/zinc/41/68/68/726416868.db2.gz SKRCEEUFFQFRKO-HZPDHXFCSA-N 1 3 345.512 2.932 20 0 EFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000906790395 726416869 /nfs/dbraw/zinc/41/68/69/726416869.db2.gz SKRCEEUFFQFRKO-HZPDHXFCSA-N 1 3 345.512 2.932 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)C)cc2)CC1 ZINC000915058394 726854899 /nfs/dbraw/zinc/85/48/99/726854899.db2.gz WUSMMKSMNFYZIW-QGZVFWFLSA-N 1 3 346.519 2.743 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)[C@H](C)C(C)C)cc2)CC1 ZINC000915058394 726854903 /nfs/dbraw/zinc/85/49/03/726854903.db2.gz WUSMMKSMNFYZIW-QGZVFWFLSA-N 1 3 346.519 2.743 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@@H](c1ccccc1)N(C)C ZINC000907449489 726947218 /nfs/dbraw/zinc/94/72/18/726947218.db2.gz WZRYPVHCLUHAHK-WNHJNPCNSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[C@@H](c1ccccc1)N(C)C ZINC000907449489 726947222 /nfs/dbraw/zinc/94/72/22/726947222.db2.gz WZRYPVHCLUHAHK-WNHJNPCNSA-N 1 3 329.488 2.811 20 0 EFADHO CN(C)Cc1ccsc1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908572992 727218790 /nfs/dbraw/zinc/21/87/90/727218790.db2.gz JXDKCRJDOJDGJR-UHFFFAOYSA-N 1 3 335.517 2.900 20 0 EFADHO CN(C)Cc1ccsc1C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000908572992 727218791 /nfs/dbraw/zinc/21/87/91/727218791.db2.gz JXDKCRJDOJDGJR-UHFFFAOYSA-N 1 3 335.517 2.900 20 0 EFADHO CC(C)=CCN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481709 727289012 /nfs/dbraw/zinc/28/90/12/727289012.db2.gz SASTYNMSZOACOK-MSOLQXFVSA-N 1 3 333.520 2.798 20 0 EFADHO Cn1nc(Br)cc1CN[C@@H](CCC[NH3+])c1ccccc1 ZINC000841088097 727359394 /nfs/dbraw/zinc/35/93/94/727359394.db2.gz WZAYZNJCQUFQGS-AWEZNQCLSA-N 1 3 337.265 2.752 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)c1 ZINC000993758965 727510968 /nfs/dbraw/zinc/51/09/68/727510968.db2.gz JTWCKGINMXIJKI-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)c1 ZINC000993758958 727510996 /nfs/dbraw/zinc/51/09/96/727510996.db2.gz JTWCKGINMXIJKI-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccsc3)[C@H]2C)CC1 ZINC000994082691 727593973 /nfs/dbraw/zinc/59/39/73/727593973.db2.gz RGUYMXWFXMXAQV-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO CC1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccsc3)[C@H]2C)CC1 ZINC000994082691 727593974 /nfs/dbraw/zinc/59/39/74/727593974.db2.gz RGUYMXWFXMXAQV-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994249533 727667285 /nfs/dbraw/zinc/66/72/85/727667285.db2.gz HAXAAWDVPFAGRH-HKUYNNGSSA-N 1 3 341.499 2.560 20 0 EFADHO C[NH+]1CCC(CC(=O)NCc2ccc(Nc3ccncc3)cc2)CC1 ZINC000912774385 727742427 /nfs/dbraw/zinc/74/24/27/727742427.db2.gz XBJWTNWJXJYXQG-UHFFFAOYSA-N 1 3 338.455 2.595 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000154249421 727755793 /nfs/dbraw/zinc/75/57/93/727755793.db2.gz LBTDBBRVULUVFW-GOSISDBHSA-N 1 3 333.520 2.634 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000154268102 727762434 /nfs/dbraw/zinc/76/24/34/727762434.db2.gz NWVMRUGLWAFEOD-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994483946 727768433 /nfs/dbraw/zinc/76/84/33/727768433.db2.gz IIMXDTIBYCLIJX-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994483946 727768434 /nfs/dbraw/zinc/76/84/34/727768434.db2.gz IIMXDTIBYCLIJX-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994502391 727772309 /nfs/dbraw/zinc/77/23/09/727772309.db2.gz UOWXRCZOUSHRHR-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994502391 727772310 /nfs/dbraw/zinc/77/23/10/727772310.db2.gz UOWXRCZOUSHRHR-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994502371 727772360 /nfs/dbraw/zinc/77/23/60/727772360.db2.gz UOWXRCZOUSHRHR-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994502371 727772362 /nfs/dbraw/zinc/77/23/62/727772362.db2.gz UOWXRCZOUSHRHR-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000913099270 727781830 /nfs/dbraw/zinc/78/18/30/727781830.db2.gz LTMBDOICHZJVNQ-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC000913100294 727782141 /nfs/dbraw/zinc/78/21/41/727782141.db2.gz QOFPZRNYIAJSRZ-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(Br)CC1 ZINC000925437374 727795505 /nfs/dbraw/zinc/79/55/05/727795505.db2.gz MFTVHUAPYLNNEL-MJBXVCDLSA-N 1 3 333.314 2.781 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N1CCCC1 ZINC000995051820 727924515 /nfs/dbraw/zinc/92/45/15/727924515.db2.gz COPJXMXLNLQQBN-WBVHZDCISA-N 1 3 349.544 2.997 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](C/C=C/Cl)CC2)c1ccn2cncc2c1 ZINC000991624232 728176883 /nfs/dbraw/zinc/17/68/83/728176883.db2.gz LSZRJOURFGBVAK-LLCIYDOASA-N 1 3 344.846 2.814 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](C/C=C/Cl)CC2)c1ccn2cncc2c1 ZINC000991624232 728176886 /nfs/dbraw/zinc/17/68/86/728176886.db2.gz LSZRJOURFGBVAK-LLCIYDOASA-N 1 3 344.846 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000995187215 728216914 /nfs/dbraw/zinc/21/69/14/728216914.db2.gz RLQYENMOKNIXFE-DLBZAZTESA-N 1 3 330.476 2.636 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC000995187217 728217249 /nfs/dbraw/zinc/21/72/49/728217249.db2.gz RLQYENMOKNIXFE-IAGOWNOFSA-N 1 3 330.476 2.636 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040948395 728307212 /nfs/dbraw/zinc/30/72/12/728307212.db2.gz PYYVVNKKIPCHQG-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001040948324 728312192 /nfs/dbraw/zinc/31/21/92/728312192.db2.gz OOPLOZYGDKZYLF-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](F)CCN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918697 728358399 /nfs/dbraw/zinc/35/83/99/728358399.db2.gz SITKTAVBCDKCEF-YJBOKZPZSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](F)CCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918697 728358401 /nfs/dbraw/zinc/35/84/01/728358401.db2.gz SITKTAVBCDKCEF-YJBOKZPZSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC000948767181 728368472 /nfs/dbraw/zinc/36/84/72/728368472.db2.gz RPJRVNNCJKQFPG-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC000948767181 728368474 /nfs/dbraw/zinc/36/84/74/728368474.db2.gz RPJRVNNCJKQFPG-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](c1ccccc1)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925339 728400764 /nfs/dbraw/zinc/40/07/64/728400764.db2.gz FJLMAEPFLLLEIV-FCEWJHQRSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H](c1ccccc1)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925339 728400766 /nfs/dbraw/zinc/40/07/66/728400766.db2.gz FJLMAEPFLLLEIV-FCEWJHQRSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000062252983 728563747 /nfs/dbraw/zinc/56/37/47/728563747.db2.gz YEJBTTMGNVUHDY-ROUUACIJSA-N 1 3 342.487 2.851 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040849742 729097828 /nfs/dbraw/zinc/09/78/28/729097828.db2.gz VXWZNLJBIDQPBK-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040850075 729102470 /nfs/dbraw/zinc/10/24/70/729102470.db2.gz WUCXDPYYICCWRR-ILNGBFOMSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040850075 729102471 /nfs/dbraw/zinc/10/24/71/729102471.db2.gz WUCXDPYYICCWRR-ILNGBFOMSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCC1CC1 ZINC000939806238 729129505 /nfs/dbraw/zinc/12/95/05/729129505.db2.gz DVKMMISMZUBCRQ-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665611 729198844 /nfs/dbraw/zinc/19/88/44/729198844.db2.gz BQVLKHVNGCKQAX-XLIONFOSSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665611 729198847 /nfs/dbraw/zinc/19/88/47/729198847.db2.gz BQVLKHVNGCKQAX-XLIONFOSSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665610 729198903 /nfs/dbraw/zinc/19/89/03/729198903.db2.gz BQVLKHVNGCKQAX-PXNSSMCTSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665610 729198906 /nfs/dbraw/zinc/19/89/06/729198906.db2.gz BQVLKHVNGCKQAX-PXNSSMCTSA-N 1 3 343.515 2.977 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031665838 729199881 /nfs/dbraw/zinc/19/98/81/729199881.db2.gz IWSVXRRWNTUYOY-QFBILLFUSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031665838 729199883 /nfs/dbraw/zinc/19/98/83/729199883.db2.gz IWSVXRRWNTUYOY-QFBILLFUSA-N 1 3 329.488 2.668 20 0 EFADHO CN1CCC(NC(=S)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000920996083 729248875 /nfs/dbraw/zinc/24/88/75/729248875.db2.gz XJYAUOBPNNMLOW-UHFFFAOYSA-N 1 3 340.581 2.591 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001031684129 729260833 /nfs/dbraw/zinc/26/08/33/729260833.db2.gz IDDSLCHIGSKHRU-LSTHTHJFSA-N 1 3 343.515 2.834 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001031684129 729260834 /nfs/dbraw/zinc/26/08/34/729260834.db2.gz IDDSLCHIGSKHRU-LSTHTHJFSA-N 1 3 343.515 2.834 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000921269234 729282323 /nfs/dbraw/zinc/28/23/23/729282323.db2.gz RAMWQUBVSFVMBW-ZWKOTPCHSA-N 1 3 348.560 2.546 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000921269234 729282326 /nfs/dbraw/zinc/28/23/26/729282326.db2.gz RAMWQUBVSFVMBW-ZWKOTPCHSA-N 1 3 348.560 2.546 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921269228 729282472 /nfs/dbraw/zinc/28/24/72/729282472.db2.gz RAMWQUBVSFVMBW-MSOLQXFVSA-N 1 3 348.560 2.546 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921269228 729282474 /nfs/dbraw/zinc/28/24/74/729282474.db2.gz RAMWQUBVSFVMBW-MSOLQXFVSA-N 1 3 348.560 2.546 20 0 EFADHO CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000261541542 729616111 /nfs/dbraw/zinc/61/61/11/729616111.db2.gz BHBMCHQQXOTQEC-GBESFXJTSA-N 1 3 329.488 2.627 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)c1 ZINC001031765967 729773564 /nfs/dbraw/zinc/77/35/64/729773564.db2.gz XBGBTUUJGFWPMW-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)c1 ZINC001031765967 729773565 /nfs/dbraw/zinc/77/35/65/729773565.db2.gz XBGBTUUJGFWPMW-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1CCC[NH3+] ZINC001646510785 1087814640 /nfs/dbraw/zinc/81/46/40/1087814640.db2.gz VKRAYCHRLBMUBL-QRQLOZEOSA-N 1 3 346.519 2.838 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514115 1087815006 /nfs/dbraw/zinc/81/50/06/1087815006.db2.gz GOUKIAAUPQBLTL-RKVPGOIHSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514115 1087815023 /nfs/dbraw/zinc/81/50/23/1087815023.db2.gz GOUKIAAUPQBLTL-RKVPGOIHSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514115 1087815048 /nfs/dbraw/zinc/81/50/48/1087815048.db2.gz GOUKIAAUPQBLTL-RKVPGOIHSA-N 1 3 340.895 2.710 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C34CCC(CC3)CC4)CC2)CC1 ZINC001646576913 1087886227 /nfs/dbraw/zinc/88/62/27/1087886227.db2.gz LKULYRBLMLSZGA-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001646741964 1088201951 /nfs/dbraw/zinc/20/19/51/1088201951.db2.gz JPMHHXVMMBOVSJ-APWZRJJASA-N 1 3 347.503 2.541 20 0 EFADHO CC(C)(C)[C@]1(CN)CC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001575116403 1088251191 /nfs/dbraw/zinc/25/11/91/1088251191.db2.gz UGOBXOJTFZNPBY-NRFANRHFSA-N 1 3 343.515 2.658 20 0 EFADHO CC(C)(C)[C@]1(CN)CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC001575116403 1088251208 /nfs/dbraw/zinc/25/12/08/1088251208.db2.gz UGOBXOJTFZNPBY-NRFANRHFSA-N 1 3 343.515 2.658 20 0 EFADHO CC(C)(C)[C@]1(CN)CC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001575116844 1088253225 /nfs/dbraw/zinc/25/32/25/1088253225.db2.gz ZMXKFNLVCUXSPA-ICSRJNTNSA-N 1 3 334.504 2.651 20 0 EFADHO CC(C)(C)[C@]1(CN)CC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001575116844 1088253240 /nfs/dbraw/zinc/25/32/40/1088253240.db2.gz ZMXKFNLVCUXSPA-ICSRJNTNSA-N 1 3 334.504 2.651 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H]3CNCC[C@H]32)CC1 ZINC001575184502 1088294368 /nfs/dbraw/zinc/29/43/68/1088294368.db2.gz VEAKFCMRHTWECP-DLBZAZTESA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H]3CNCC[C@H]32)CC1 ZINC001575184502 1088294386 /nfs/dbraw/zinc/29/43/86/1088294386.db2.gz VEAKFCMRHTWECP-DLBZAZTESA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC001575208260 1088309198 /nfs/dbraw/zinc/30/91/98/1088309198.db2.gz GCDJVCFCBRHEGJ-QWHCGFSZSA-N 1 3 347.450 2.799 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC001575208258 1088309816 /nfs/dbraw/zinc/30/98/16/1088309816.db2.gz GCDJVCFCBRHEGJ-CHWSQXEVSA-N 1 3 347.450 2.799 20 0 EFADHO N[C@@H](CC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)c1ccccc1 ZINC001646812676 1088310233 /nfs/dbraw/zinc/31/02/33/1088310233.db2.gz CGZZDKOPMSWQOX-IBGZPJMESA-N 1 3 337.467 2.596 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC1CC1 ZINC001575218506 1088314229 /nfs/dbraw/zinc/31/42/29/1088314229.db2.gz LURWDANOYVEGMQ-HOCLYGCPSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC001646843653 1088358143 /nfs/dbraw/zinc/35/81/43/1088358143.db2.gz BGHRORFDVYXIMP-GDIGMMSISA-N 1 3 343.446 2.881 20 0 EFADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)CN)C2 ZINC001575315705 1088388086 /nfs/dbraw/zinc/38/80/86/1088388086.db2.gz WJARGYDTWPOUBX-QDMKHBRRSA-N 1 3 325.497 2.739 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423322 1088459017 /nfs/dbraw/zinc/45/90/17/1088459017.db2.gz RUIOMPJOMCQDMM-ZIAGYGMSSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423322 1088459021 /nfs/dbraw/zinc/45/90/21/1088459021.db2.gz RUIOMPJOMCQDMM-ZIAGYGMSSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@H](C[NH3+])CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423322 1088459028 /nfs/dbraw/zinc/45/90/28/1088459028.db2.gz RUIOMPJOMCQDMM-ZIAGYGMSSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC001575435757 1088470335 /nfs/dbraw/zinc/47/03/35/1088470335.db2.gz WZBCNUDKQLRXKM-LSDHHAIUSA-N 1 3 343.512 2.835 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC001575647880 1088610138 /nfs/dbraw/zinc/61/01/38/1088610138.db2.gz AWODBUBBQIHCCC-FCEWJHQRSA-N 1 3 348.535 2.913 20 0 EFADHO CC(C)[C@H]1CN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCN1 ZINC001575843376 1088728200 /nfs/dbraw/zinc/72/82/00/1088728200.db2.gz WESJIZJCZKNSSW-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H]1CN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCN1 ZINC001575843376 1088728213 /nfs/dbraw/zinc/72/82/13/1088728213.db2.gz WESJIZJCZKNSSW-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC001575910338 1088767315 /nfs/dbraw/zinc/76/73/15/1088767315.db2.gz ZBDNRUGJXYHOCG-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(F)(F)CC1 ZINC001575933690 1088786190 /nfs/dbraw/zinc/78/61/90/1088786190.db2.gz JKDRUDCQOPLSEE-HZPDHXFCSA-N 1 3 348.478 2.844 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCONC(=O)OC(C)(C)C ZINC001575934417 1088786304 /nfs/dbraw/zinc/78/63/04/1088786304.db2.gz PRWXOMCRWXFMRH-LSDHHAIUSA-N 1 3 329.485 2.733 20 0 EFADHO CCCN1CCCC[C@@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC001647078089 1088845468 /nfs/dbraw/zinc/84/54/68/1088845468.db2.gz ZRUVRGUGMZSFRB-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001647085169 1088862800 /nfs/dbraw/zinc/86/28/00/1088862800.db2.gz JTRGQOSQYDGLED-RTBURBONSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CNC(=O)c1cc2c(s1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC001576029376 1088866019 /nfs/dbraw/zinc/86/60/19/1088866019.db2.gz MENYZSMEPUFCNU-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@H](CNC(=O)c1cc2c(s1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC001576029376 1088866043 /nfs/dbraw/zinc/86/60/43/1088866043.db2.gz MENYZSMEPUFCNU-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@@H]([NH3+])C1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC001576120640 1088949250 /nfs/dbraw/zinc/94/92/50/1088949250.db2.gz XIAYGUTWBGOPQE-CQSZACIVSA-N 1 3 337.895 2.736 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC001576238691 1089037277 /nfs/dbraw/zinc/03/72/77/1089037277.db2.gz IRYCGFBPEYUCTF-BZUAXINKSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H](c1cccc(N2CCOC2=O)c1)N(C)CCC1([NH3+])CCOCC1 ZINC001576301927 1089088011 /nfs/dbraw/zinc/08/80/11/1089088011.db2.gz RKXWWIKFVHXJRS-OAHLLOKOSA-N 1 3 347.459 2.534 20 0 EFADHO CC1(C)[C@H](NC(=O)[C@H]2CCCCN2C2CCCC2)[C@H]2CCC[NH2+][C@H]21 ZINC001576382791 1089167805 /nfs/dbraw/zinc/16/78/05/1089167805.db2.gz DPDYAPAFXAJVOH-BSDSXHPESA-N 1 3 333.520 2.676 20 0 EFADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@H]1CCCCN1C1CCCC1 ZINC001576382793 1089168221 /nfs/dbraw/zinc/16/82/21/1089168221.db2.gz DPDYAPAFXAJVOH-MLHJIOFPSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC3(C[C@@H]3NC(=O)OC(C)(C)C)C1)[NH2+]2 ZINC001576588112 1089339311 /nfs/dbraw/zinc/33/93/11/1089339311.db2.gz QBRXSEMAHFLKGZ-NCLFMRBNSA-N 1 3 335.492 2.551 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576599570 1089350681 /nfs/dbraw/zinc/35/06/81/1089350681.db2.gz TWZAPYJXGGOIKE-QZWWFDLISA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1CN ZINC001576599570 1089350693 /nfs/dbraw/zinc/35/06/93/1089350693.db2.gz TWZAPYJXGGOIKE-QZWWFDLISA-N 1 3 339.524 2.939 20 0 EFADHO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576605293 1089351621 /nfs/dbraw/zinc/35/16/21/1089351621.db2.gz KDTNHQVKVYREGL-WDSOQIARSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21)N1[C@H](C)CC[C@@H]1C ZINC001576651394 1089379447 /nfs/dbraw/zinc/37/94/47/1089379447.db2.gz YZLKGXCLCUGRGG-BARDWOONSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001576747469 1089436088 /nfs/dbraw/zinc/43/60/88/1089436088.db2.gz ASNIOFLCYXPTKR-IJEWVQPXSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H](N[C@@H]1C[NH2+]C[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576849752 1089487680 /nfs/dbraw/zinc/48/76/80/1089487680.db2.gz JUCQYESKZLYLFN-FMKPAKJESA-N 1 3 325.497 2.610 20 0 EFADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001576880311 1089504775 /nfs/dbraw/zinc/50/47/75/1089504775.db2.gz QMTFZTTUIUXINO-OVWQWFNUSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001576880311 1089504796 /nfs/dbraw/zinc/50/47/96/1089504796.db2.gz QMTFZTTUIUXINO-OVWQWFNUSA-N 1 3 347.478 2.635 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH3+])c1ccco1 ZINC001577004063 1089577623 /nfs/dbraw/zinc/57/76/23/1089577623.db2.gz QGKMYRXWRXZUHB-YOEHRIQHSA-N 1 3 344.459 2.667 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001577050580 1089614335 /nfs/dbraw/zinc/61/43/35/1089614335.db2.gz XFKPTMJBJOGIET-INIZCTEOSA-N 1 3 337.533 2.893 20 0 EFADHO CC[C@H]([NH3+])Cn1c(C2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001577139376 1089691072 /nfs/dbraw/zinc/69/10/72/1089691072.db2.gz VNFXEMWSZZZZCM-INMHGKMJSA-N 1 3 348.539 2.592 20 0 EFADHO CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001577176342 1089721148 /nfs/dbraw/zinc/72/11/48/1089721148.db2.gz ZIJJJPBNTYNXRF-YQQAZPJKSA-N 1 3 337.418 2.527 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[C@@H]1[NH3+] ZINC001577280118 1089794794 /nfs/dbraw/zinc/79/47/94/1089794794.db2.gz XSXVHVHRNZTBAE-MJGOQNOKSA-N 1 3 329.488 2.872 20 0 EFADHO CC[C@@H]1CN(Cc2ccccc2-n2nnc3ccccc32)CC[C@H]1[NH3+] ZINC001577279202 1089795510 /nfs/dbraw/zinc/79/55/10/1089795510.db2.gz AIJRZNVACQHUCE-NVXWUHKLSA-N 1 3 335.455 2.980 20 0 EFADHO CCCN(C(=O)NCC1([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001577488929 1090003648 /nfs/dbraw/zinc/00/36/48/1090003648.db2.gz NQXFLVFEFPTNCX-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC001577495311 1090008013 /nfs/dbraw/zinc/00/80/13/1090008013.db2.gz CLYWLPMTFPKPNL-CZUORRHYSA-N 1 3 325.884 2.695 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC001577495692 1090009980 /nfs/dbraw/zinc/00/99/80/1090009980.db2.gz WTYKKXALRHREAX-XOKHGSTOSA-N 1 3 337.895 2.837 20 0 EFADHO CCCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001577516653 1090028829 /nfs/dbraw/zinc/02/88/29/1090028829.db2.gz ZMVDVYUQMGHIOB-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN(Cc1c(C[NH3+])cnn1C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001577523933 1090033338 /nfs/dbraw/zinc/03/33/38/1090033338.db2.gz MYHIFKDTOLPPBC-MSOLQXFVSA-N 1 3 334.508 2.829 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577548509 1090045680 /nfs/dbraw/zinc/04/56/80/1090045680.db2.gz WXLZYTPPFYDXSC-HKUYNNGSSA-N 1 3 331.504 2.886 20 0 EFADHO CCN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577631388 1090090582 /nfs/dbraw/zinc/09/05/82/1090090582.db2.gz GYNUMQOVLZYSMZ-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](CC(C)C)[NH2+]C ZINC001577770874 1090175546 /nfs/dbraw/zinc/17/55/46/1090175546.db2.gz PCHNKVOZYYJADH-OALUTQOASA-N 1 3 346.519 2.529 20 0 EFADHO CCOC(=O)c1cc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH]c1C ZINC001578054035 1090237730 /nfs/dbraw/zinc/23/77/30/1090237730.db2.gz QXZUVORKPNVLPW-MRXNPFEDSA-N 1 3 333.476 2.711 20 0 EFADHO CCc1csc(CC2CCN(CCC3([NH3+])CCOCC3)CC2)n1 ZINC001578284208 1090330952 /nfs/dbraw/zinc/33/09/52/1090330952.db2.gz BNWMHVCYXAOQQT-UHFFFAOYSA-N 1 3 337.533 2.858 20 0 EFADHO CN(C)[C@H]1Cc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC001578413792 1090366993 /nfs/dbraw/zinc/36/69/93/1090366993.db2.gz WTTWQDBCICSZJA-IBEXZBQWSA-N 1 3 341.499 2.660 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC001578465965 1090379543 /nfs/dbraw/zinc/37/95/43/1090379543.db2.gz YHQGPXLVBPGFOB-LJQANCHMSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCN(C)C1 ZINC001578528480 1090392053 /nfs/dbraw/zinc/39/20/53/1090392053.db2.gz HBMSSKGTAKPDST-MOPGFXCFSA-N 1 3 340.471 2.575 20 0 EFADHO CNC1(C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CCC1 ZINC001578592971 1090405963 /nfs/dbraw/zinc/40/59/63/1090405963.db2.gz LVMLKUWQLFTHIQ-UHFFFAOYSA-N 1 3 344.484 2.971 20 0 EFADHO CNC1(C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CCC1 ZINC001578592971 1090405965 /nfs/dbraw/zinc/40/59/65/1090405965.db2.gz LVMLKUWQLFTHIQ-UHFFFAOYSA-N 1 3 344.484 2.971 20 0 EFADHO COC(=O)C1(c2ccc(C[N@@H+]3C[C@H]4CCCC[C@@]4(CN)C3)cc2)CC1 ZINC001578784916 1090442486 /nfs/dbraw/zinc/44/24/86/1090442486.db2.gz XHEQEFHJLVMPBE-UYAOXDASSA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)C1(c2ccc(C[N@H+]3C[C@H]4CCCC[C@@]4(CN)C3)cc2)CC1 ZINC001578784916 1090442489 /nfs/dbraw/zinc/44/24/89/1090442489.db2.gz XHEQEFHJLVMPBE-UYAOXDASSA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)Cc1ccccc1CN1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001578820671 1090448352 /nfs/dbraw/zinc/44/83/52/1090448352.db2.gz HKYIWUVBACPMIC-GOSISDBHSA-N 1 3 330.472 2.886 20 0 EFADHO COC(=O)c1c[nH]c(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1C1CC1 ZINC001578850085 1090453832 /nfs/dbraw/zinc/45/38/32/1090453832.db2.gz GJESMVRKBGCWDC-HNNXBMFYSA-N 1 3 331.460 2.500 20 0 EFADHO COC(=O)c1ccc(-c2ccc(CN3C[C@@H](C[NH3+])[C@H](C)C3)o2)cc1 ZINC001578863370 1090457023 /nfs/dbraw/zinc/45/70/23/1090457023.db2.gz BGJIYVCFSMGMSU-CZUORRHYSA-N 1 3 328.412 2.760 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC001579195568 1090542220 /nfs/dbraw/zinc/54/22/20/1090542220.db2.gz XPKKHDRDWQYUNF-GOSISDBHSA-N 1 3 347.503 2.713 20 0 EFADHO CSCC[C@H]([NH3+])CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001579379851 1090600398 /nfs/dbraw/zinc/60/03/98/1090600398.db2.gz CBSUHQQLRBLWCA-ROUUACIJSA-N 1 3 349.544 2.628 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1CN ZINC001579440321 1090612710 /nfs/dbraw/zinc/61/27/10/1090612710.db2.gz WLHXNTCPPSVEAD-VQIMIIECSA-N 1 3 345.487 2.562 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C[C@H]1CN ZINC001579440321 1090612714 /nfs/dbraw/zinc/61/27/14/1090612714.db2.gz WLHXNTCPPSVEAD-VQIMIIECSA-N 1 3 345.487 2.562 20 0 EFADHO Cc1c(C[C@H](CN)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)cnn1C ZINC001579529073 1090627720 /nfs/dbraw/zinc/62/77/20/1090627720.db2.gz AUYYQQUNWPCZRZ-NSISKUIASA-N 1 3 326.488 2.772 20 0 EFADHO Cc1cc(CNCc2cccc3c2CC[NH2+]C3)cc(N2CCCC2)n1 ZINC001579600905 1090640497 /nfs/dbraw/zinc/64/04/97/1090640497.db2.gz FOKYVGRYSRQULM-UHFFFAOYSA-N 1 3 336.483 2.926 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)N2CCCC2)cc1 ZINC001579667629 1090657439 /nfs/dbraw/zinc/65/74/39/1090657439.db2.gz OTCGQFKEGMALOD-RBUKOAKNSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC001579667868 1090657445 /nfs/dbraw/zinc/65/74/45/1090657445.db2.gz VXRNEHMXQGWSKP-FQEVSTJZSA-N 1 3 337.467 2.673 20 0 EFADHO Cc1ccccc1CN(Cc1ccccn1)C[C@@H](O)C1CC[NH2+]CC1 ZINC001579800150 1090691020 /nfs/dbraw/zinc/69/10/20/1090691020.db2.gz MTIPJFYLPLGLKV-OAQYLSRUSA-N 1 3 339.483 2.753 20 0 EFADHO Clc1ccc(Br)cc1CNC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001579938057 1090727709 /nfs/dbraw/zinc/72/77/09/1090727709.db2.gz MRDGUBJUVRIVOT-GFCCVEGCSA-N 1 3 345.668 2.713 20 0 EFADHO [NH3+][C@@H](CN[C@H]1CCc2nc(-c3ccccc3)ncc2C1)CC(F)F ZINC001580131205 1090783635 /nfs/dbraw/zinc/78/36/35/1090783635.db2.gz BHDXPOVZJHHLIZ-CABCVRRESA-N 1 3 332.398 2.573 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC001580207179 1090810510 /nfs/dbraw/zinc/81/05/10/1090810510.db2.gz PQMCYGNKOFMBRF-MRXNPFEDSA-N 1 3 343.496 2.702 20 0 EFADHO [NH3+]C[C@H]1CCCC12CCN(Cc1cc(-c3ccccn3)n[nH]1)CC2 ZINC001580260107 1090838005 /nfs/dbraw/zinc/83/80/05/1090838005.db2.gz KQLMBXXJIXIRCN-OAHLLOKOSA-N 1 3 325.460 2.813 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cc21 ZINC001580264130 1090840780 /nfs/dbraw/zinc/84/07/80/1090840780.db2.gz FNVNUUPXTJFSES-IEBWSBKVSA-N 1 3 341.499 2.812 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349339 1090873078 /nfs/dbraw/zinc/87/30/78/1090873078.db2.gz TXYIKPPUEQXCPH-ROUUACIJSA-N 1 3 347.507 2.646 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349339 1090873087 /nfs/dbraw/zinc/87/30/87/1090873087.db2.gz TXYIKPPUEQXCPH-ROUUACIJSA-N 1 3 347.507 2.646 20 0 EFADHO O=C(NC1(C2CC[NH2+]CC2)CC1)c1cccc(CN2CCCCC2)c1 ZINC001580595352 1090961942 /nfs/dbraw/zinc/96/19/42/1090961942.db2.gz DFGRZLYQIGLALO-UHFFFAOYSA-N 1 3 341.499 2.935 20 0 EFADHO O=C(N[C@H]1CC[NH2+]C12CCC2)c1cccc(CN2CCCCC2)c1 ZINC001580614195 1090967676 /nfs/dbraw/zinc/96/76/76/1090967676.db2.gz ZMSUCPKUIXMIDX-SFHVURJKSA-N 1 3 327.472 2.687 20 0 EFADHO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc(NC2=NCCC2)cc1 ZINC001580614100 1090968304 /nfs/dbraw/zinc/96/83/04/1090968304.db2.gz VSSPCLJCPMMORL-MRXNPFEDSA-N 1 3 326.444 2.695 20 0 EFADHO O[C@H](CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1)c1ccc(F)cc1F ZINC001580877491 1091031959 /nfs/dbraw/zinc/03/19/59/1091031959.db2.gz BLRUTJGRHMZNJG-MSOLQXFVSA-N 1 3 336.426 2.852 20 0 EFADHO O[C@@H](CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1)c1ccc(F)cc1F ZINC001580877493 1091032433 /nfs/dbraw/zinc/03/24/33/1091032433.db2.gz BLRUTJGRHMZNJG-ROUUACIJSA-N 1 3 336.426 2.852 20 0 EFADHO Oc1ccccc1-c1nnc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC001580888578 1091036006 /nfs/dbraw/zinc/03/60/06/1091036006.db2.gz QPBBHXXSWZHQTI-HNNXBMFYSA-N 1 3 342.443 2.654 20 0 EFADHO c1ccc2c(c1)CN(CCO[C@H]1CCCCO1)CC1(CC[NH2+]CC1)O2 ZINC001580896145 1091039379 /nfs/dbraw/zinc/03/93/79/1091039379.db2.gz ZRUOXVKJRULFIL-IBGZPJMESA-N 1 3 346.471 2.546 20 0 EFADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601652 1092657763 /nfs/dbraw/zinc/65/77/63/1092657763.db2.gz LWTCDXQIJUIJLR-OAHLLOKOSA-N 1 3 329.504 2.874 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC001087213470 1092872568 /nfs/dbraw/zinc/87/25/68/1092872568.db2.gz WNWFIHPKKIJGNI-RYRKJORJSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001087213196 1092873061 /nfs/dbraw/zinc/87/30/61/1092873061.db2.gz JIDDSLJEVOLHOV-AOIWGVFYSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006439 1092874054 /nfs/dbraw/zinc/87/40/54/1092874054.db2.gz HBRFBWIXONXGEF-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006439 1092874061 /nfs/dbraw/zinc/87/40/61/1092874061.db2.gz HBRFBWIXONXGEF-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001087214852 1092900662 /nfs/dbraw/zinc/90/06/62/1092900662.db2.gz RWECLSMUBKAFLK-PVAVHDDUSA-N 1 3 337.533 2.805 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC001650160682 1092990409 /nfs/dbraw/zinc/99/04/09/1092990409.db2.gz RBHYZZZRYDKQIN-PKOBYXMFSA-N 1 3 342.483 2.901 20 0 EFADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1C1CC1 ZINC001480920999 1093004079 /nfs/dbraw/zinc/00/40/79/1093004079.db2.gz FAFWAAGBUMZFMJ-UHFFFAOYSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-n3cccc3C[NH3+])c(F)c2)CC1 ZINC001167600277 1093009399 /nfs/dbraw/zinc/00/93/99/1093009399.db2.gz OQTBVAKQERSCNF-UHFFFAOYSA-N 1 3 330.451 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCF)CC2)CC1)N(C)C ZINC001075454359 1093049773 /nfs/dbraw/zinc/04/97/73/1093049773.db2.gz ROKDZVDWZOCVAQ-FUHWJXTLSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCF)CC2)CC1)N(C)C ZINC001075454359 1093049780 /nfs/dbraw/zinc/04/97/80/1093049780.db2.gz ROKDZVDWZOCVAQ-FUHWJXTLSA-N 1 3 341.515 2.637 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627540 1093147419 /nfs/dbraw/zinc/14/74/19/1093147419.db2.gz PFPHDICRPBHGKH-IBGZPJMESA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589954192 1093193729 /nfs/dbraw/zinc/19/37/29/1093193729.db2.gz GRTJVEHDITYIID-IMUUDWKMSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589954192 1093193734 /nfs/dbraw/zinc/19/37/34/1093193734.db2.gz GRTJVEHDITYIID-IMUUDWKMSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001589977934 1093205221 /nfs/dbraw/zinc/20/52/21/1093205221.db2.gz BJESQOLKTMDUKN-ADLFWFRXSA-N 1 3 348.454 2.576 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001589977934 1093205229 /nfs/dbraw/zinc/20/52/29/1093205229.db2.gz BJESQOLKTMDUKN-ADLFWFRXSA-N 1 3 348.454 2.576 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458354 1093228159 /nfs/dbraw/zinc/22/81/59/1093228159.db2.gz DAAKRJGOUWHHTK-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC001075458354 1093228163 /nfs/dbraw/zinc/22/81/63/1093228163.db2.gz DAAKRJGOUWHHTK-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458693 1093233312 /nfs/dbraw/zinc/23/33/12/1093233312.db2.gz NOCOHEVAOSXKFV-IEBWSBKVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458693 1093233321 /nfs/dbraw/zinc/23/33/21/1093233321.db2.gz NOCOHEVAOSXKFV-IEBWSBKVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCF)CC2)CC1)N(C)C ZINC001075458867 1093237403 /nfs/dbraw/zinc/23/74/03/1093237403.db2.gz ROKDZVDWZOCVAQ-AEFFLSMTSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCF)CC2)CC1)N(C)C ZINC001075458867 1093237407 /nfs/dbraw/zinc/23/74/07/1093237407.db2.gz ROKDZVDWZOCVAQ-AEFFLSMTSA-N 1 3 341.515 2.637 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075461676 1093326697 /nfs/dbraw/zinc/32/66/97/1093326697.db2.gz OGABMLRYIKRNGI-IBGZPJMESA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075461676 1093326703 /nfs/dbraw/zinc/32/67/03/1093326703.db2.gz OGABMLRYIKRNGI-IBGZPJMESA-N 1 3 347.547 2.833 20 0 EFADHO CCC[NH+]1CCC(C[NH2+]Cc2c(C)cc(-c3nnn[n-]3)cc2C)CC1 ZINC001590633302 1093526195 /nfs/dbraw/zinc/52/61/95/1093526195.db2.gz NWDSJRZSVAUQTH-UHFFFAOYSA-N 1 3 342.491 2.695 20 0 EFADHO CCC[NH+]1CCC(C[NH2+]Cc2c(C)cc(-c3nn[n-]n3)cc2C)CC1 ZINC001590633302 1093526196 /nfs/dbraw/zinc/52/61/96/1093526196.db2.gz NWDSJRZSVAUQTH-UHFFFAOYSA-N 1 3 342.491 2.695 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615921 1094310893 /nfs/dbraw/zinc/31/08/93/1094310893.db2.gz MUYBFLVHLSIMNI-ZCNNSNEGSA-N 1 3 343.515 2.711 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194743651 1094372374 /nfs/dbraw/zinc/37/23/74/1094372374.db2.gz RBVBWJFFZOTMAO-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194743651 1094372379 /nfs/dbraw/zinc/37/23/79/1094372379.db2.gz RBVBWJFFZOTMAO-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001211623491 1094392266 /nfs/dbraw/zinc/39/22/66/1094392266.db2.gz IBQPBLCJYZKUDV-LVYJLARMSA-N 1 3 349.906 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001104641342 1094513142 /nfs/dbraw/zinc/51/31/42/1094513142.db2.gz MBFFZEXIWOWGII-BHIYHBOVSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676280 1094589320 /nfs/dbraw/zinc/58/93/20/1094589320.db2.gz COUOSHRQXUPDJF-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104680445 1094589878 /nfs/dbraw/zinc/58/98/78/1094589878.db2.gz QLHCODCQPORXFM-ZHALLVOQSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C2)C1 ZINC001104679075 1094601522 /nfs/dbraw/zinc/60/15/22/1094601522.db2.gz DYONTVFCWLXCSD-KZNAEPCWSA-N 1 3 341.515 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001104678816 1094602224 /nfs/dbraw/zinc/60/22/24/1094602224.db2.gz CKKDHNUOCIRYIZ-QWFCFKBJSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001104679541 1094603575 /nfs/dbraw/zinc/60/35/75/1094603575.db2.gz JSKSLTGOPHFKCG-YQVWRLOYSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001481110595 1094603948 /nfs/dbraw/zinc/60/39/48/1094603948.db2.gz OPOKJIOOSXSMOT-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001481110595 1094603961 /nfs/dbraw/zinc/60/39/61/1094603961.db2.gz OPOKJIOOSXSMOT-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCCCC3)C2)C1 ZINC001104681079 1094613312 /nfs/dbraw/zinc/61/33/12/1094613312.db2.gz CVGNJCHSUHKACG-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682237 1094619764 /nfs/dbraw/zinc/61/97/64/1094619764.db2.gz IRXBUJQWKAMJCR-BRWVUGGUSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CCC1CC1 ZINC001104682532 1094627650 /nfs/dbraw/zinc/62/76/50/1094627650.db2.gz UWMKLJXHGWTBLS-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684077 1094631542 /nfs/dbraw/zinc/63/15/42/1094631542.db2.gz XECUBWAMDUWZKV-QZTJIDSGSA-N 1 3 337.552 2.983 20 0 EFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000782968881 1094635770 /nfs/dbraw/zinc/63/57/70/1094635770.db2.gz ZQMHTWAXEOKEOO-VQTJNVASSA-N 1 3 348.487 2.527 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1)N(C)C ZINC001104690560 1094644171 /nfs/dbraw/zinc/64/41/71/1094644171.db2.gz HUEIYYWVZVXVBA-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001481460073 1094669993 /nfs/dbraw/zinc/66/99/93/1094669993.db2.gz UYNYNFRHOSPTJX-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001481460073 1094670001 /nfs/dbraw/zinc/67/00/01/1094670001.db2.gz UYNYNFRHOSPTJX-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529853 1094762907 /nfs/dbraw/zinc/76/29/07/1094762907.db2.gz RPRXCNHMTNESFB-HBFSDRIKSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112530033 1094770469 /nfs/dbraw/zinc/77/04/69/1094770469.db2.gz ZYDUDSIPGWNPIG-BJLQDIEVSA-N 1 3 333.520 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001481498339 1094945121 /nfs/dbraw/zinc/94/51/21/1094945121.db2.gz PBOZMQRVEOFKNU-UNERYHBUSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001481498339 1094945128 /nfs/dbraw/zinc/94/51/28/1094945128.db2.gz PBOZMQRVEOFKNU-UNERYHBUSA-N 1 3 343.515 2.820 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(C)c2)C1 ZINC001481503578 1094974925 /nfs/dbraw/zinc/97/49/25/1094974925.db2.gz HXMLQQYUSGHZOU-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(C)c2)C1 ZINC001481503578 1094974939 /nfs/dbraw/zinc/97/49/39/1094974939.db2.gz HXMLQQYUSGHZOU-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC001481147983 1094976798 /nfs/dbraw/zinc/97/67/98/1094976798.db2.gz SBUYKJJHSOWVEL-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC001481147983 1094976807 /nfs/dbraw/zinc/97/68/07/1094976807.db2.gz SBUYKJJHSOWVEL-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC001481147984 1094978390 /nfs/dbraw/zinc/97/83/90/1094978390.db2.gz SBUYKJJHSOWVEL-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1 ZINC001481147984 1094978398 /nfs/dbraw/zinc/97/83/98/1094978398.db2.gz SBUYKJJHSOWVEL-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CCC(F)(F)F)CC2)CCC1 ZINC001481514767 1095052013 /nfs/dbraw/zinc/05/20/13/1095052013.db2.gz NQVMZVDAOGTJQW-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CCC(F)(F)F)CC2)CCC1 ZINC001481514767 1095052026 /nfs/dbraw/zinc/05/20/26/1095052026.db2.gz NQVMZVDAOGTJQW-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001167814852 1095098772 /nfs/dbraw/zinc/09/87/72/1095098772.db2.gz HOHFUPZQXBZAIE-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO Cc1cccc(C)c1CN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001481170197 1095103761 /nfs/dbraw/zinc/10/37/61/1095103761.db2.gz HLRPYAXWQMFJQB-IEBWSBKVSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C)c1CN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001481170197 1095103772 /nfs/dbraw/zinc/10/37/72/1095103772.db2.gz HLRPYAXWQMFJQB-IEBWSBKVSA-N 1 3 343.515 2.724 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316512 1095290147 /nfs/dbraw/zinc/29/01/47/1095290147.db2.gz SQJQQNIWKWRWBT-ZTFGCOKTSA-N 1 3 332.492 2.666 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@@H]21 ZINC001087316512 1095290157 /nfs/dbraw/zinc/29/01/57/1095290157.db2.gz SQJQQNIWKWRWBT-ZTFGCOKTSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C1(C)C ZINC001087316194 1095296923 /nfs/dbraw/zinc/29/69/23/1095296923.db2.gz OVUMEOCQRYUUDA-IPELMVKDSA-N 1 3 346.519 2.912 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC(C)C)[C@@H]2C1(C)C ZINC001087316194 1095296933 /nfs/dbraw/zinc/29/69/33/1095296933.db2.gz OVUMEOCQRYUUDA-IPELMVKDSA-N 1 3 346.519 2.912 20 0 EFADHO CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC001087318534 1095328171 /nfs/dbraw/zinc/32/81/71/1095328171.db2.gz ZCDJQUXMUWVOPV-CEXWTWQISA-N 1 3 343.515 2.987 20 0 EFADHO CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1cccc(CN(C)C)c1 ZINC001087318534 1095328184 /nfs/dbraw/zinc/32/81/84/1095328184.db2.gz ZCDJQUXMUWVOPV-CEXWTWQISA-N 1 3 343.515 2.987 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001167836030 1095336619 /nfs/dbraw/zinc/33/66/19/1095336619.db2.gz OKRPSUHBQVXBNW-OAHLLOKOSA-N 1 3 345.478 2.640 20 0 EFADHO CCN1CCN(c2cccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CC1 ZINC000893660673 1095620658 /nfs/dbraw/zinc/62/06/58/1095620658.db2.gz CJLDVZJMXJDNLK-YQQQUEKLSA-N 1 3 328.504 2.866 20 0 EFADHO CCN1CCN(c2cccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CC1 ZINC000893660673 1095620661 /nfs/dbraw/zinc/62/06/61/1095620661.db2.gz CJLDVZJMXJDNLK-YQQQUEKLSA-N 1 3 328.504 2.866 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001100770715 1095649199 /nfs/dbraw/zinc/64/91/99/1095649199.db2.gz LJRABOVRPUUMPV-QQFBHYJXSA-N 1 3 345.478 2.638 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1ccccc1C ZINC001480980785 1095652665 /nfs/dbraw/zinc/65/26/65/1095652665.db2.gz OATVJTSNEIFBGB-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1ccccc1C ZINC001480980785 1095652672 /nfs/dbraw/zinc/65/26/72/1095652672.db2.gz OATVJTSNEIFBGB-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104753420 1095675573 /nfs/dbraw/zinc/67/55/73/1095675573.db2.gz AJSPYRRPUKXKLD-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000981958942 1095787236 /nfs/dbraw/zinc/78/72/36/1095787236.db2.gz JETKFJUZRPLFCB-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000981958942 1095787248 /nfs/dbraw/zinc/78/72/48/1095787248.db2.gz JETKFJUZRPLFCB-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000981957746 1095794978 /nfs/dbraw/zinc/79/49/78/1095794978.db2.gz SAZZVJBUOLHMMW-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000981957746 1095794985 /nfs/dbraw/zinc/79/49/85/1095794985.db2.gz SAZZVJBUOLHMMW-MOPGFXCFSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000981960737 1095820154 /nfs/dbraw/zinc/82/01/54/1095820154.db2.gz XRSIXGYQZYILRN-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000981960737 1095820173 /nfs/dbraw/zinc/82/01/73/1095820173.db2.gz XRSIXGYQZYILRN-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211702960 1095828483 /nfs/dbraw/zinc/82/84/83/1095828483.db2.gz NAXXEUQICWLKOE-MQSXSKFUSA-N 1 3 349.906 2.665 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211702960 1095828501 /nfs/dbraw/zinc/82/85/01/1095828501.db2.gz NAXXEUQICWLKOE-MQSXSKFUSA-N 1 3 349.906 2.665 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1cccc(OC)c1 ZINC001481018566 1095876777 /nfs/dbraw/zinc/87/67/77/1095876777.db2.gz CARDDNNNJSTOCA-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(OC)c1 ZINC001481018566 1095876791 /nfs/dbraw/zinc/87/67/91/1095876791.db2.gz CARDDNNNJSTOCA-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)c1ccc(-c2ccc(NC(=N)NCCCC[NH3+])nn2)cc1 ZINC001167880662 1096144228 /nfs/dbraw/zinc/14/42/28/1096144228.db2.gz UOYRMADTMMEEKH-UHFFFAOYSA-N 1 3 326.448 2.942 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2c1cccc2F ZINC001481055136 1096187567 /nfs/dbraw/zinc/18/75/67/1096187567.db2.gz ZVDYPYNLBGBQCD-KXBFYZLASA-N 1 3 347.478 2.735 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167900222 1096322974 /nfs/dbraw/zinc/32/29/74/1096322974.db2.gz CFFPOLOSGKTQTA-UHFFFAOYSA-N 1 3 332.492 2.573 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001481737977 1096472430 /nfs/dbraw/zinc/47/24/30/1096472430.db2.gz FOHJJNBRNUAKAR-QGZVFWFLSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603651424 1096578322 /nfs/dbraw/zinc/57/83/22/1096578322.db2.gz SDLGRMBYYMWGAV-KBXCAEBGSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603651424 1096578327 /nfs/dbraw/zinc/57/83/27/1096578327.db2.gz SDLGRMBYYMWGAV-KBXCAEBGSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603896295 1096663330 /nfs/dbraw/zinc/66/33/30/1096663330.db2.gz PMNXICYZICMELT-HNNXBMFYSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603896295 1096663332 /nfs/dbraw/zinc/66/33/32/1096663332.db2.gz PMNXICYZICMELT-HNNXBMFYSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603896295 1096663337 /nfs/dbraw/zinc/66/33/37/1096663337.db2.gz PMNXICYZICMELT-HNNXBMFYSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603896295 1096663341 /nfs/dbraw/zinc/66/33/41/1096663341.db2.gz PMNXICYZICMELT-HNNXBMFYSA-N 1 3 328.464 2.611 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1C ZINC001481819603 1096743044 /nfs/dbraw/zinc/74/30/44/1096743044.db2.gz ZESSNITZZYSXMC-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481850112 1096793460 /nfs/dbraw/zinc/79/34/60/1096793460.db2.gz ITSXNHNQMXJSEE-GOSISDBHSA-N 1 3 333.520 2.957 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)CC1 ZINC001481940751 1096972112 /nfs/dbraw/zinc/97/21/12/1096972112.db2.gz ZBALJRIBUZKODZ-LJQANCHMSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482102396 1097262821 /nfs/dbraw/zinc/26/28/21/1097262821.db2.gz SHIBHVBWWOKOON-BEFAXECRSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482102398 1097262878 /nfs/dbraw/zinc/26/28/78/1097262878.db2.gz SHIBHVBWWOKOON-HNAYVOBHSA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123768 1098156798 /nfs/dbraw/zinc/15/67/98/1098156798.db2.gz OFEWTXDTLWYOQP-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123768 1098156804 /nfs/dbraw/zinc/15/68/04/1098156804.db2.gz OFEWTXDTLWYOQP-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123768 1098156812 /nfs/dbraw/zinc/15/68/12/1098156812.db2.gz OFEWTXDTLWYOQP-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123768 1098156818 /nfs/dbraw/zinc/15/68/18/1098156818.db2.gz OFEWTXDTLWYOQP-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH+](C)CC1 ZINC001609123767 1098157251 /nfs/dbraw/zinc/15/72/51/1098157251.db2.gz LXCFLVQRZAPSGD-FZKQIMNGSA-N 1 3 340.475 2.564 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH+](C)CC1 ZINC001609123767 1098157254 /nfs/dbraw/zinc/15/72/54/1098157254.db2.gz LXCFLVQRZAPSGD-FZKQIMNGSA-N 1 3 340.475 2.564 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609222847 1098211562 /nfs/dbraw/zinc/21/15/62/1098211562.db2.gz CJFFPTPUDDHPMN-CYBMUJFWSA-N 1 3 334.443 2.606 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609222847 1098211571 /nfs/dbraw/zinc/21/15/71/1098211571.db2.gz CJFFPTPUDDHPMN-CYBMUJFWSA-N 1 3 334.443 2.606 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCC1 ZINC001482236815 1098348427 /nfs/dbraw/zinc/34/84/27/1098348427.db2.gz OSEGFIFMURWLOH-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO [NH3+]CCCCCC[NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609506109 1098363932 /nfs/dbraw/zinc/36/39/32/1098363932.db2.gz UEPGMNGYKRMXAN-QGZVFWFLSA-N 1 3 328.464 2.743 20 0 EFADHO [NH3+]CCCCCC[NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609506109 1098363939 /nfs/dbraw/zinc/36/39/39/1098363939.db2.gz UEPGMNGYKRMXAN-QGZVFWFLSA-N 1 3 328.464 2.743 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001104810008 1098637672 /nfs/dbraw/zinc/63/76/72/1098637672.db2.gz VEXXTZOSZMUQKH-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CC1CC(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)C1 ZINC001104832563 1098715980 /nfs/dbraw/zinc/71/59/80/1098715980.db2.gz HQYWGYTZLIDFGS-CQJJOKNBSA-N 1 3 349.563 2.839 20 0 EFADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832477 1098716113 /nfs/dbraw/zinc/71/61/13/1098716113.db2.gz CMOUSOSDFACQID-KURKYZTESA-N 1 3 341.515 2.541 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001270179004 1098768909 /nfs/dbraw/zinc/76/89/09/1098768909.db2.gz DTCCXSJIIDJYMQ-UHFFFAOYSA-N 1 3 330.476 2.599 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001270179004 1098768919 /nfs/dbraw/zinc/76/89/19/1098768919.db2.gz DTCCXSJIIDJYMQ-UHFFFAOYSA-N 1 3 330.476 2.599 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270180300 1098769607 /nfs/dbraw/zinc/76/96/07/1098769607.db2.gz XPXJZMWJFUVOTH-LJQANCHMSA-N 1 3 330.476 2.599 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270180300 1098769616 /nfs/dbraw/zinc/76/96/16/1098769616.db2.gz XPXJZMWJFUVOTH-LJQANCHMSA-N 1 3 330.476 2.599 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167751530 1098806549 /nfs/dbraw/zinc/80/65/49/1098806549.db2.gz JPVRTQDQXLDERV-FUHWJXTLSA-N 1 3 343.519 2.962 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167751530 1098806563 /nfs/dbraw/zinc/80/65/63/1098806563.db2.gz JPVRTQDQXLDERV-FUHWJXTLSA-N 1 3 343.519 2.962 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167751533 1098807483 /nfs/dbraw/zinc/80/74/83/1098807483.db2.gz JPVRTQDQXLDERV-WMZOPIPTSA-N 1 3 343.519 2.962 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167751533 1098807500 /nfs/dbraw/zinc/80/75/00/1098807500.db2.gz JPVRTQDQXLDERV-WMZOPIPTSA-N 1 3 343.519 2.962 20 0 EFADHO CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)[C@H](CC)N(C)C)cc1 ZINC001270263803 1098878581 /nfs/dbraw/zinc/87/85/81/1098878581.db2.gz WQMUJUNYOZTZMO-UXHICEINSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1)N(C)C ZINC001267969708 1098982082 /nfs/dbraw/zinc/98/20/82/1098982082.db2.gz KTDJNPDARQGZIJ-RTBURBONSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001267971090 1098993429 /nfs/dbraw/zinc/99/34/29/1098993429.db2.gz YXOGKTSGKQMYKY-BQHJZSHBSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293082 1099151798 /nfs/dbraw/zinc/15/17/98/1099151798.db2.gz VAVASJPOJGISHL-GFCCVEGCSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001481306636 1099196713 /nfs/dbraw/zinc/19/67/13/1099196713.db2.gz YCRSALUGBBRRJR-ZDUSSCGKSA-N 1 3 343.874 2.930 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001481306371 1099196897 /nfs/dbraw/zinc/19/68/97/1099196897.db2.gz OFWBNPKZQWCJBM-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211661507 1099205877 /nfs/dbraw/zinc/20/58/77/1099205877.db2.gz BBSPYAOYXJREAZ-GBESFXJTSA-N 1 3 349.494 2.661 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C/Cl)C1)N(C)C ZINC001112524519 1099236857 /nfs/dbraw/zinc/23/68/57/1099236857.db2.gz SNLJZZGXFLQVOG-AEYOSRCWSA-N 1 3 341.927 2.543 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Cc1ccccc1 ZINC001167967958 1099284140 /nfs/dbraw/zinc/28/41/40/1099284140.db2.gz MTLWKWWJKXBGIG-UDEWTMQYSA-N 1 3 328.500 2.833 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1ccccc1 ZINC001167967958 1099284143 /nfs/dbraw/zinc/28/41/43/1099284143.db2.gz MTLWKWWJKXBGIG-UDEWTMQYSA-N 1 3 328.500 2.833 20 0 EFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000030907281 1099481773 /nfs/dbraw/zinc/48/17/73/1099481773.db2.gz FZXYAZNKVCDLCL-AWEZNQCLSA-N 1 3 326.444 2.659 20 0 EFADHO C[C@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001482322495 1099498422 /nfs/dbraw/zinc/49/84/22/1099498422.db2.gz FVKRAVMFXIPJHR-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO C[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001482322500 1099499300 /nfs/dbraw/zinc/49/93/00/1099499300.db2.gz FVKRAVMFXIPJHR-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064207 1099526793 /nfs/dbraw/zinc/52/67/93/1099526793.db2.gz CLZPMCWVKXKTEJ-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001105064189 1099527752 /nfs/dbraw/zinc/52/77/52/1099527752.db2.gz BLUMUFYSMPRPTB-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001105067143 1099542667 /nfs/dbraw/zinc/54/26/67/1099542667.db2.gz OSUVMELVOBJBLR-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO COC[C@@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988930 1099662693 /nfs/dbraw/zinc/66/26/93/1099662693.db2.gz QETZSAAFBGXUNW-RZQVSUQPSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988930 1099662699 /nfs/dbraw/zinc/66/26/99/1099662699.db2.gz QETZSAAFBGXUNW-RZQVSUQPSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988930 1099662703 /nfs/dbraw/zinc/66/27/03/1099662703.db2.gz QETZSAAFBGXUNW-RZQVSUQPSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988930 1099662707 /nfs/dbraw/zinc/66/27/07/1099662707.db2.gz QETZSAAFBGXUNW-RZQVSUQPSA-N 1 3 348.531 2.909 20 0 EFADHO CC(=O)N1CCCC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167993279 1099745783 /nfs/dbraw/zinc/74/57/83/1099745783.db2.gz NMLGGNVVWKRDLF-JGUMPVPUSA-N 1 3 345.531 2.869 20 0 EFADHO CC(=O)N1CCCC[C@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167993279 1099745795 /nfs/dbraw/zinc/74/57/95/1099745795.db2.gz NMLGGNVVWKRDLF-JGUMPVPUSA-N 1 3 345.531 2.869 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001482351813 1099773141 /nfs/dbraw/zinc/77/31/41/1099773141.db2.gz YKNXDQBFZODTPP-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1ccccc1Cl ZINC001482351813 1099773144 /nfs/dbraw/zinc/77/31/44/1099773144.db2.gz YKNXDQBFZODTPP-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1cccc(Cl)c1 ZINC001087523286 1100163191 /nfs/dbraw/zinc/16/31/91/1100163191.db2.gz PXIPQEFUGHNWNF-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1cccc(Cl)c1 ZINC001087523286 1100163194 /nfs/dbraw/zinc/16/31/94/1100163194.db2.gz PXIPQEFUGHNWNF-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC001482435623 1100205417 /nfs/dbraw/zinc/20/54/17/1100205417.db2.gz RKNQXBHONNRAFW-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915797 1100263746 /nfs/dbraw/zinc/26/37/46/1100263746.db2.gz IADHVGUTMFYHMB-AZUAARDMSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915797 1100263751 /nfs/dbraw/zinc/26/37/51/1100263751.db2.gz IADHVGUTMFYHMB-AZUAARDMSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001630690805 1100329064 /nfs/dbraw/zinc/32/90/64/1100329064.db2.gz QCYJAYGGKSACRS-LJQANCHMSA-N 1 3 338.455 2.736 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001630690805 1100329074 /nfs/dbraw/zinc/32/90/74/1100329074.db2.gz QCYJAYGGKSACRS-LJQANCHMSA-N 1 3 338.455 2.736 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001630690804 1100329891 /nfs/dbraw/zinc/32/98/91/1100329891.db2.gz QCYJAYGGKSACRS-IBGZPJMESA-N 1 3 338.455 2.736 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001630690804 1100329901 /nfs/dbraw/zinc/32/99/01/1100329901.db2.gz QCYJAYGGKSACRS-IBGZPJMESA-N 1 3 338.455 2.736 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001087671614 1100651979 /nfs/dbraw/zinc/65/19/79/1100651979.db2.gz HJDBQEDPQPDGJA-IPMKNSEASA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCC1CC1 ZINC001087671614 1100651982 /nfs/dbraw/zinc/65/19/82/1100651982.db2.gz HJDBQEDPQPDGJA-IPMKNSEASA-N 1 3 333.520 2.630 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087724034 1100702299 /nfs/dbraw/zinc/70/22/99/1100702299.db2.gz SFBXRKLLDHIOTJ-DAYGRLMNSA-N 1 3 327.488 2.578 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087724034 1100702302 /nfs/dbraw/zinc/70/23/02/1100702302.db2.gz SFBXRKLLDHIOTJ-DAYGRLMNSA-N 1 3 327.488 2.578 20 0 EFADHO CC(=O)N1CC[C@@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168024232 1100808396 /nfs/dbraw/zinc/80/83/96/1100808396.db2.gz CPRDGXONUXJPBF-TXPKVOOTSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087828554 1100832495 /nfs/dbraw/zinc/83/24/95/1100832495.db2.gz ONTUHTKERFODKF-AYOQOUSVSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087828554 1100832503 /nfs/dbraw/zinc/83/25/03/1100832503.db2.gz ONTUHTKERFODKF-AYOQOUSVSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1C[C@@H](N[C@H]2CNC(=O)C2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032158 1100943797 /nfs/dbraw/zinc/94/37/97/1100943797.db2.gz FUCDDWBAQYFGPS-MVJTYMMSSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H]1C[C@@H](N[C@H]2CNC(=O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032158 1100943800 /nfs/dbraw/zinc/94/38/00/1100943800.db2.gz FUCDDWBAQYFGPS-MVJTYMMSSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H]1CC(NC[C@H]2CCCC(=O)N2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039676 1101084343 /nfs/dbraw/zinc/08/43/43/1101084343.db2.gz HDHYGUJNHOLWHY-JFIYKMOQSA-N 1 3 329.488 2.686 20 0 EFADHO C[C@@H]1C[C@@H](N2CCOC[C@@](C)(O)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039401 1101087012 /nfs/dbraw/zinc/08/70/12/1101087012.db2.gz DVIPSMGVGMKIOE-HNJRGHQBSA-N 1 3 332.488 2.511 20 0 EFADHO C[C@@H]1C[C@@H](N2CCOC[C@@](C)(O)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039401 1101087021 /nfs/dbraw/zinc/08/70/21/1101087021.db2.gz DVIPSMGVGMKIOE-HNJRGHQBSA-N 1 3 332.488 2.511 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]3C2)CCC1 ZINC001087992659 1101166122 /nfs/dbraw/zinc/16/61/22/1101166122.db2.gz FLIOPJVDHNDZHQ-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]3C2)CCC1 ZINC001087992659 1101166123 /nfs/dbraw/zinc/16/61/23/1101166123.db2.gz FLIOPJVDHNDZHQ-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCCC4CCC4)CC[C@@H]3C2)CCC1 ZINC001087992787 1101167215 /nfs/dbraw/zinc/16/72/15/1101167215.db2.gz MLDXQCDWSINTKV-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)CC[C@@H]3C2)CCC1 ZINC001087992787 1101167219 /nfs/dbraw/zinc/16/72/19/1101167219.db2.gz MLDXQCDWSINTKV-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)C1CC1 ZINC001087993321 1101167385 /nfs/dbraw/zinc/16/73/85/1101167385.db2.gz KFDSHRAPPRHJIV-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)C1CC1 ZINC001087993321 1101167386 /nfs/dbraw/zinc/16/73/86/1101167386.db2.gz KFDSHRAPPRHJIV-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167385752 1101393926 /nfs/dbraw/zinc/39/39/26/1101393926.db2.gz RJYWNGKTSBIPIC-YKXBDCQTSA-N 1 3 341.927 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088095504 1101509737 /nfs/dbraw/zinc/50/97/37/1101509737.db2.gz RFXYCRODQLKVNZ-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088095504 1101509746 /nfs/dbraw/zinc/50/97/46/1101509746.db2.gz RFXYCRODQLKVNZ-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CCCOc1cc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)ccc1OC ZINC000067671508 1101551555 /nfs/dbraw/zinc/55/15/55/1101551555.db2.gz JWCPYLXERWCRBT-QGZVFWFLSA-N 1 3 349.519 2.600 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000067671779 1101552537 /nfs/dbraw/zinc/55/25/37/1101552537.db2.gz KFRWJHADBDFGOF-CQSZACIVSA-N 1 3 345.409 2.701 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106405 1101554642 /nfs/dbraw/zinc/55/46/42/1101554642.db2.gz YSIURZCHIAQRLJ-UHOSZYNNSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106405 1101554652 /nfs/dbraw/zinc/55/46/52/1101554652.db2.gz YSIURZCHIAQRLJ-UHOSZYNNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)C1 ZINC001088106573 1101561871 /nfs/dbraw/zinc/56/18/71/1101561871.db2.gz HVIDEHUSLZZYBC-UHOSZYNNSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CC(C)(C)C4)CC[C@@H]3C2)C1 ZINC001088106573 1101561883 /nfs/dbraw/zinc/56/18/83/1101561883.db2.gz HVIDEHUSLZZYBC-UHOSZYNNSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]3C2)C1 ZINC001088106493 1101562034 /nfs/dbraw/zinc/56/20/34/1101562034.db2.gz DISUGGNEKRPBQT-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)C1 ZINC001088106493 1101562041 /nfs/dbraw/zinc/56/20/41/1101562041.db2.gz DISUGGNEKRPBQT-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088109362 1101565737 /nfs/dbraw/zinc/56/57/37/1101565737.db2.gz AKCFVGNOKDMSOO-QYZOEREBSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088109362 1101565750 /nfs/dbraw/zinc/56/57/50/1101565750.db2.gz AKCFVGNOKDMSOO-QYZOEREBSA-N 1 3 347.547 2.687 20 0 EFADHO COCOCCCN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001209023632 1101583204 /nfs/dbraw/zinc/58/32/04/1101583204.db2.gz OITSBFROEKVOFZ-UHFFFAOYSA-N 1 3 329.444 2.676 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001088121031 1101603879 /nfs/dbraw/zinc/60/38/79/1101603879.db2.gz LEBZIRSJXYGXQQ-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001088121031 1101603885 /nfs/dbraw/zinc/60/38/85/1101603885.db2.gz LEBZIRSJXYGXQQ-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001087135691 1101621404 /nfs/dbraw/zinc/62/14/04/1101621404.db2.gz UWJIXBBZZAHFKB-HYVNUMGLSA-N 1 3 335.517 2.559 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]3C2)CC1 ZINC001088150573 1101685806 /nfs/dbraw/zinc/68/58/06/1101685806.db2.gz LFOXUFFHWDEYCW-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]3C2)CC1 ZINC001088150573 1101685812 /nfs/dbraw/zinc/68/58/12/1101685812.db2.gz LFOXUFFHWDEYCW-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO COc1cccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000069785287 1101737426 /nfs/dbraw/zinc/73/74/26/1101737426.db2.gz GPJPEHHUFRFRRQ-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212435 1101884779 /nfs/dbraw/zinc/88/47/79/1101884779.db2.gz LYAMXEOFUUTKGD-MJGOQNOKSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C1 ZINC001088212435 1101884794 /nfs/dbraw/zinc/88/47/94/1101884794.db2.gz LYAMXEOFUUTKGD-MJGOQNOKSA-N 1 3 341.499 2.552 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075366822 1101979070 /nfs/dbraw/zinc/97/90/70/1101979070.db2.gz JCYSTJXYAKUYKC-OXJNMPFZSA-N 1 3 343.515 2.846 20 0 EFADHO CCC/C=C\CC[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232984 1102100013 /nfs/dbraw/zinc/10/00/13/1102100013.db2.gz XDQUBRBAAYJCPO-XFHJGTJQSA-N 1 3 335.536 2.951 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001167232755 1102100747 /nfs/dbraw/zinc/10/07/47/1102100747.db2.gz PDLWDUHKLBEBIT-OAHLLOKOSA-N 1 3 349.544 2.774 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232758 1102100929 /nfs/dbraw/zinc/10/09/29/1102100929.db2.gz PHSDIINKOMIHGA-QZTJIDSGSA-N 1 3 337.552 2.887 20 0 EFADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001167240924 1102124491 /nfs/dbraw/zinc/12/44/91/1102124491.db2.gz VVWNCQZAIUQSHL-UHFFFAOYSA-N 1 3 337.552 2.887 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCc2cccs2)CC1 ZINC001167480372 1102300306 /nfs/dbraw/zinc/30/03/06/1102300306.db2.gz CBAUQIGKCFIQEB-UHFFFAOYSA-N 1 3 337.533 2.509 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001167481049 1102311114 /nfs/dbraw/zinc/31/11/14/1102311114.db2.gz YJPRBIQNRNLYLH-IBGZPJMESA-N 1 3 343.515 2.892 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000073664137 1102410674 /nfs/dbraw/zinc/41/06/74/1102410674.db2.gz GBTNGQADXGXANF-QGZVFWFLSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CCN(C)CCF)CC2)C1 ZINC001482506151 1102435835 /nfs/dbraw/zinc/43/58/35/1102435835.db2.gz OVSQOMGIYXQUMU-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(CCN(C)CCF)CC2)C1 ZINC001482506151 1102435841 /nfs/dbraw/zinc/43/58/41/1102435841.db2.gz OVSQOMGIYXQUMU-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1)N(C)C ZINC001482506905 1102438338 /nfs/dbraw/zinc/43/83/38/1102438338.db2.gz MOYWUCFUNJJXJX-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1)N(C)C ZINC001482506905 1102438347 /nfs/dbraw/zinc/43/83/47/1102438347.db2.gz MOYWUCFUNJJXJX-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C)N(C)C ZINC001266880856 1102572477 /nfs/dbraw/zinc/57/24/77/1102572477.db2.gz PXLDJLUJXAYBGX-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001087181443 1102708484 /nfs/dbraw/zinc/70/84/84/1102708484.db2.gz RPGZYSGSGWPCRF-AYOQOUSVSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104290804 1102849786 /nfs/dbraw/zinc/84/97/86/1102849786.db2.gz DZFPPFGSJHFBPR-KBAYOESNSA-N 1 3 337.552 2.837 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294398 1102875212 /nfs/dbraw/zinc/87/52/12/1102875212.db2.gz NPTPNKSQVQMTRH-PJHKVULZSA-N 1 3 335.536 2.901 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001210811703 1102887400 /nfs/dbraw/zinc/88/74/00/1102887400.db2.gz PVOZIXHEDZZXIB-GOSISDBHSA-N 1 3 342.487 2.590 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001088327533 1102932170 /nfs/dbraw/zinc/93/21/70/1102932170.db2.gz PDWLABRHFSRXAW-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001088327532 1102932353 /nfs/dbraw/zinc/93/23/53/1102932353.db2.gz PDWLABRHFSRXAW-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001088327534 1102932719 /nfs/dbraw/zinc/93/27/19/1102932719.db2.gz PDWLABRHFSRXAW-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1nc(C)c(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)s1 ZINC000076868670 1102979547 /nfs/dbraw/zinc/97/95/47/1102979547.db2.gz XLMQKGFICSGFGR-UHFFFAOYSA-N 1 3 344.528 2.797 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001088334333 1102984211 /nfs/dbraw/zinc/98/42/11/1102984211.db2.gz GAWUZBBNCGQVLX-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001088334204 1102986113 /nfs/dbraw/zinc/98/61/13/1102986113.db2.gz CRIVJOPWFSGWIC-IAGOWNOFSA-N 1 3 337.533 2.949 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cccnc2C)C1)N(C)C ZINC001088334661 1102986331 /nfs/dbraw/zinc/98/63/31/1102986331.db2.gz MYIJPZITVHJCLE-RBUKOAKNSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001409763967 1103077971 /nfs/dbraw/zinc/07/79/71/1103077971.db2.gz TZBSANKKEKXFPQ-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001409763967 1103077988 /nfs/dbraw/zinc/07/79/88/1103077988.db2.gz TZBSANKKEKXFPQ-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001271938894 1103120839 /nfs/dbraw/zinc/12/08/39/1103120839.db2.gz CLGQHGRQZOQMPL-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001271938895 1103121300 /nfs/dbraw/zinc/12/13/00/1103121300.db2.gz CLGQHGRQZOQMPL-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001483244593 1103134083 /nfs/dbraw/zinc/13/40/83/1103134083.db2.gz UPJRJGUYDISBDM-GJZGRUSLSA-N 1 3 333.451 2.609 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001483263394 1103183538 /nfs/dbraw/zinc/18/35/38/1103183538.db2.gz SHMUDEWBIQGEIO-GDZNZVCISA-N 1 3 341.446 2.706 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001088380443 1103304856 /nfs/dbraw/zinc/30/48/56/1103304856.db2.gz IGPJWKYIWBNCSH-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001088382060 1103339445 /nfs/dbraw/zinc/33/94/45/1103339445.db2.gz SXOUOOVJVMGIFL-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cnccc2C)C1)N(C)C ZINC001088383428 1103350867 /nfs/dbraw/zinc/35/08/67/1103350867.db2.gz DNADAKABALQTLY-OALUTQOASA-N 1 3 346.519 2.591 20 0 EFADHO CC1(C)CC(C[NH2+][C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001088390900 1103379234 /nfs/dbraw/zinc/37/92/34/1103379234.db2.gz YEMLSCYXZSQNAL-MRXNPFEDSA-N 1 3 332.492 2.749 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001088390501 1103381232 /nfs/dbraw/zinc/38/12/32/1103381232.db2.gz OPPAMYQZKDVRCO-KRWDZBQOSA-N 1 3 332.492 2.893 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001088390301 1103381306 /nfs/dbraw/zinc/38/13/06/1103381306.db2.gz KWRSSYCQYRNXQC-KRWDZBQOSA-N 1 3 332.492 2.893 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088394822 1103411731 /nfs/dbraw/zinc/41/17/31/1103411731.db2.gz POFKVRDZPDNKPK-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088430444 1103579132 /nfs/dbraw/zinc/57/91/32/1103579132.db2.gz QDPAKMNLVXQUJF-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H](NCCF)C1)[NH+]1CCCCC1 ZINC001088431369 1103588956 /nfs/dbraw/zinc/58/89/56/1103588956.db2.gz RPOQLZWXQCMVMP-MSOLQXFVSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001105427442 1103751715 /nfs/dbraw/zinc/75/17/15/1103751715.db2.gz MDKSKCRVNQLZMB-IRFCIJBXSA-N 1 3 343.515 2.541 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066418 1103961583 /nfs/dbraw/zinc/96/15/83/1103961583.db2.gz NVRGWCFRLVMOAT-IBGZPJMESA-N 1 3 346.519 2.592 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066418 1103961589 /nfs/dbraw/zinc/96/15/89/1103961589.db2.gz NVRGWCFRLVMOAT-IBGZPJMESA-N 1 3 346.519 2.592 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001127067030 1103972480 /nfs/dbraw/zinc/97/24/80/1103972480.db2.gz UTSVBJBCJKVGPJ-MRXNPFEDSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001127067030 1103972490 /nfs/dbraw/zinc/97/24/90/1103972490.db2.gz UTSVBJBCJKVGPJ-MRXNPFEDSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001127066908 1103972635 /nfs/dbraw/zinc/97/26/35/1103972635.db2.gz UTSVBJBCJKVGPJ-INIZCTEOSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001127066908 1103972645 /nfs/dbraw/zinc/97/26/45/1103972645.db2.gz UTSVBJBCJKVGPJ-INIZCTEOSA-N 1 3 341.858 2.558 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@@](C[NH2+]C(C)C)(c2ccccc2)C1)N(C)C ZINC001105429166 1103990648 /nfs/dbraw/zinc/99/06/48/1103990648.db2.gz PRYSGVYNIBIQKZ-GGPKGHCWSA-N 1 3 331.504 2.541 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001105438620 1104099174 /nfs/dbraw/zinc/09/91/74/1104099174.db2.gz LMNAERNBXXDJEB-QFUCXCTJSA-N 1 3 343.515 2.544 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001105438983 1104100478 /nfs/dbraw/zinc/10/04/78/1104100478.db2.gz UQRSAHFDCYQUCB-SBHAEUEKSA-N 1 3 345.531 2.787 20 0 EFADHO c1coc(CN2C[C@H]3C[C@@H](C2)CN(C2CC[NH+](CC4CC4)CC2)C3)c1 ZINC001168379362 1104129271 /nfs/dbraw/zinc/12/92/71/1104129271.db2.gz ITSBOTVZPSVVET-KDURUIRLSA-N 1 3 343.515 2.908 20 0 EFADHO Cc1cncnc1OC1CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168395291 1104202479 /nfs/dbraw/zinc/20/24/79/1104202479.db2.gz UCIYOOXLAIVZBP-UHFFFAOYSA-N 1 3 330.476 2.503 20 0 EFADHO c1ncc(-c2ccc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)cc2)o1 ZINC000906528405 1104271587 /nfs/dbraw/zinc/27/15/87/1104271587.db2.gz XKFLSOMSPIVSRE-GOSISDBHSA-N 1 3 327.428 2.685 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409591925 1104349681 /nfs/dbraw/zinc/34/96/81/1104349681.db2.gz PIZGFUTVLBLJKC-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001409591925 1104349689 /nfs/dbraw/zinc/34/96/89/1104349689.db2.gz PIZGFUTVLBLJKC-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1cccc(F)c1 ZINC001409587029 1104373752 /nfs/dbraw/zinc/37/37/52/1104373752.db2.gz MAFDSTPWJJRDLB-MRXNPFEDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1cccc(F)c1 ZINC001409587029 1104373763 /nfs/dbraw/zinc/37/37/63/1104373763.db2.gz MAFDSTPWJJRDLB-MRXNPFEDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001409591918 1104386836 /nfs/dbraw/zinc/38/68/36/1104386836.db2.gz PIZGFUTVLBLJKC-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001409591918 1104386846 /nfs/dbraw/zinc/38/68/46/1104386846.db2.gz PIZGFUTVLBLJKC-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000906673667 1104423291 /nfs/dbraw/zinc/42/32/91/1104423291.db2.gz OJWUVNRHKMYVNW-QGZVFWFLSA-N 1 3 347.503 2.824 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(Cc2ccco2)C2CCN(C)CC2)C1 ZINC000906673667 1104423297 /nfs/dbraw/zinc/42/32/97/1104423297.db2.gz OJWUVNRHKMYVNW-QGZVFWFLSA-N 1 3 347.503 2.824 20 0 EFADHO Cc1cncc(CN2CCCCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001409832012 1104515939 /nfs/dbraw/zinc/51/59/39/1104515939.db2.gz RJYHVNWOLVIQBO-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO C[C@@H](CN1CCCC1=O)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080191241 1104516101 /nfs/dbraw/zinc/51/61/01/1104516101.db2.gz PHQQKINNSGWRAL-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CN1CCCC1=O)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080191241 1104516107 /nfs/dbraw/zinc/51/61/07/1104516107.db2.gz PHQQKINNSGWRAL-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCN(CC3CCOCC3)CC1)C2 ZINC001168252608 1104599210 /nfs/dbraw/zinc/59/92/10/1104599210.db2.gz RUCDNZSNQMJCAW-HXUWFJFHSA-N 1 3 344.499 2.643 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C ZINC001482619045 1104660065 /nfs/dbraw/zinc/66/00/65/1104660065.db2.gz MOAUPAQDPZVFOY-HXUWFJFHSA-N 1 3 339.483 2.824 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN1C ZINC001482619045 1104660071 /nfs/dbraw/zinc/66/00/71/1104660071.db2.gz MOAUPAQDPZVFOY-HXUWFJFHSA-N 1 3 339.483 2.824 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001482620031 1104674416 /nfs/dbraw/zinc/67/44/16/1104674416.db2.gz YFLHJAZYCNXTTD-RHSMWYFYSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001482620031 1104674420 /nfs/dbraw/zinc/67/44/20/1104674420.db2.gz YFLHJAZYCNXTTD-RHSMWYFYSA-N 1 3 337.895 2.885 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729694560 1104865614 /nfs/dbraw/zinc/86/56/14/1104865614.db2.gz NNOLJMFWIXCDAQ-UHFFFAOYSA-N 1 3 347.503 2.969 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482697453 1104953816 /nfs/dbraw/zinc/95/38/16/1104953816.db2.gz ZOPNNOHRJHGHTL-SJLPKXTDSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001482889450 1105148247 /nfs/dbraw/zinc/14/82/47/1105148247.db2.gz QSTPWYBPHGWFHY-APWZRJJASA-N 1 3 331.504 2.890 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001482914906 1105177106 /nfs/dbraw/zinc/17/71/06/1105177106.db2.gz WSCAHYNZAWIZCP-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]1C[C@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC001648989199 1105222314 /nfs/dbraw/zinc/22/23/14/1105222314.db2.gz DISLSOJYEVCXLD-GDBMZVCRSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)[C@H](C(C)C)N(C)C ZINC001668623242 1105333100 /nfs/dbraw/zinc/33/31/00/1105333100.db2.gz MAAMRLBPXCKRBF-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988962991 1105397607 /nfs/dbraw/zinc/39/76/07/1105397607.db2.gz UGOOFSUHOPFDKV-FUHWJXTLSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988955775 1105399804 /nfs/dbraw/zinc/39/98/04/1105399804.db2.gz LDQJZMCFJDYWBI-SJLPKXTDSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956347 1105400269 /nfs/dbraw/zinc/40/02/69/1105400269.db2.gz PWEUQPIUJBZTEC-AEFFLSMTSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964829 1105409122 /nfs/dbraw/zinc/40/91/22/1105409122.db2.gz FMHYCLHQTNLMLL-YJBOKZPZSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988967821 1105411373 /nfs/dbraw/zinc/41/13/73/1105411373.db2.gz PUSSCKBUFVAYQO-WMLDXEAASA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000988969090 1105412335 /nfs/dbraw/zinc/41/23/35/1105412335.db2.gz UKARWNFRMLHOKM-IEBWSBKVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000988969091 1105412546 /nfs/dbraw/zinc/41/25/46/1105412546.db2.gz UKARWNFRMLHOKM-MJGOQNOKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988971104 1105413042 /nfs/dbraw/zinc/41/30/42/1105413042.db2.gz ZDVQYCZMSINXPY-PKOBYXMFSA-N 1 3 343.515 2.601 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988971120 1105413480 /nfs/dbraw/zinc/41/34/80/1105413480.db2.gz ZFVYLILTXGMBFW-YOEHRIQHSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001030019465 1105504996 /nfs/dbraw/zinc/50/49/96/1105504996.db2.gz IRDUGVFMJVPNNL-YTQUADARSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088622009 1105523332 /nfs/dbraw/zinc/52/33/32/1105523332.db2.gz CZQPKJBFQAPCTB-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088622009 1105523337 /nfs/dbraw/zinc/52/33/37/1105523337.db2.gz CZQPKJBFQAPCTB-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001030019522 1105569523 /nfs/dbraw/zinc/56/95/23/1105569523.db2.gz JAHRCPVRMWSNMU-DFQSSKMNSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389095 1105839488 /nfs/dbraw/zinc/83/94/88/1105839488.db2.gz IAXCOBRFIKKGSN-RHSMWYFYSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCCF)CCC1)N(C)C ZINC001105544488 1105907876 /nfs/dbraw/zinc/90/78/76/1105907876.db2.gz LHFHVFBMNLZFTB-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563047 1105942329 /nfs/dbraw/zinc/94/23/29/1105942329.db2.gz BNKAOSSANCKFBP-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCF)CCC1 ZINC001105563217 1105942461 /nfs/dbraw/zinc/94/24/61/1105942461.db2.gz HAJZMENMQMEKBH-DLBZAZTESA-N 1 3 339.499 2.581 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C2(C[NH2+]CC3CC3)CCC2)C1 ZINC001105563440 1105943465 /nfs/dbraw/zinc/94/34/65/1105943465.db2.gz NLQDSWRIHMBVSO-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C2(C[NH2+]CC3CC3)CCC2)C1 ZINC001105563437 1105943561 /nfs/dbraw/zinc/94/35/61/1105943561.db2.gz NLQDSWRIHMBVSO-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1)N(C)C ZINC001105565812 1105954759 /nfs/dbraw/zinc/95/47/59/1105954759.db2.gz BNUFSGMSEHVDPN-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000897897442 1106136600 /nfs/dbraw/zinc/13/66/00/1106136600.db2.gz UYAWSDIZRPXCPD-IBGZPJMESA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451792 1106214128 /nfs/dbraw/zinc/21/41/28/1106214128.db2.gz WBCUHJAZUWKMGU-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451191 1106220358 /nfs/dbraw/zinc/22/03/58/1106220358.db2.gz RZPTUFZQBFBLGT-CVEARBPZSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@H]2CCOC23CCOCC3)CC1 ZINC000898114733 1106235346 /nfs/dbraw/zinc/23/53/46/1106235346.db2.gz ALHCIQMUCBYJBG-QRQLOZEOSA-N 1 3 336.520 2.957 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989475080 1106344783 /nfs/dbraw/zinc/34/47/83/1106344783.db2.gz PQNAWZLWAKXDOZ-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989475080 1106344786 /nfs/dbraw/zinc/34/47/86/1106344786.db2.gz PQNAWZLWAKXDOZ-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000989492175 1106366331 /nfs/dbraw/zinc/36/63/31/1106366331.db2.gz JXEIXPJAXDSPMK-GOSISDBHSA-N 1 3 341.499 2.686 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2(C[NH2+]CC3CC3)CC2)c1 ZINC001168302362 1106436996 /nfs/dbraw/zinc/43/69/96/1106436996.db2.gz PSRFEIFGZVPMNK-UHFFFAOYSA-N 1 3 329.488 2.648 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989604643 1106480543 /nfs/dbraw/zinc/48/05/43/1106480543.db2.gz DNQTUUCMKHMOKG-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605110 1106480577 /nfs/dbraw/zinc/48/05/77/1106480577.db2.gz ILIQDQZOQQMFCM-DLBZAZTESA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604906 1106480627 /nfs/dbraw/zinc/48/06/27/1106480627.db2.gz GVEQVKFKVAMKJC-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC000989605057 1106481088 /nfs/dbraw/zinc/48/10/88/1106481088.db2.gz HURRGGLIZISYDX-YJBOKZPZSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606667 1106481535 /nfs/dbraw/zinc/48/15/35/1106481535.db2.gz TVQIAZZNPBHOOF-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606838 1106482809 /nfs/dbraw/zinc/48/28/09/1106482809.db2.gz VVXJYZQEOLIURT-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606804 1106482925 /nfs/dbraw/zinc/48/29/25/1106482925.db2.gz VDGSHRONWWKWCQ-PKOBYXMFSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000989607034 1106482995 /nfs/dbraw/zinc/48/29/95/1106482995.db2.gz YRMGBYSLEVZMJY-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)[NH+]1CCCCC1 ZINC000989738427 1106616165 /nfs/dbraw/zinc/61/61/65/1106616165.db2.gz AXQTUBJVGWWXRB-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799467 1106670006 /nfs/dbraw/zinc/67/00/06/1106670006.db2.gz MFDHZSZEDZKUFN-YLJYHZDGSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CN1C(=O)CN1CCCC1 ZINC000989798714 1106670335 /nfs/dbraw/zinc/67/03/35/1106670335.db2.gz DQIPRELRTKRRHX-QFBILLFUSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989798845 1106670449 /nfs/dbraw/zinc/67/04/49/1106670449.db2.gz GQUYQHZFNZJUPS-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989827173 1106700327 /nfs/dbraw/zinc/70/03/27/1106700327.db2.gz ZRKNDWNNBVEWMR-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860613 1106750165 /nfs/dbraw/zinc/75/01/65/1106750165.db2.gz UBEPZRNWHMQIQI-JTDSTZFVSA-N 1 3 341.515 2.824 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860613 1106750179 /nfs/dbraw/zinc/75/01/79/1106750179.db2.gz UBEPZRNWHMQIQI-JTDSTZFVSA-N 1 3 341.515 2.824 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860698 1106753691 /nfs/dbraw/zinc/75/36/91/1106753691.db2.gz XYBSISYJCBNXMK-JTDSTZFVSA-N 1 3 339.499 2.744 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860698 1106753701 /nfs/dbraw/zinc/75/37/01/1106753701.db2.gz XYBSISYJCBNXMK-JTDSTZFVSA-N 1 3 339.499 2.744 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168327174 1106884508 /nfs/dbraw/zinc/88/45/08/1106884508.db2.gz VGMGJGPGVDZLKT-MRXNPFEDSA-N 1 3 349.494 2.986 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001168327166 1106886604 /nfs/dbraw/zinc/88/66/04/1106886604.db2.gz UVBUTYRWEMAWHL-WZUFQYTHSA-N 1 3 349.906 2.990 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001168335257 1107159084 /nfs/dbraw/zinc/15/90/84/1107159084.db2.gz DVRMPTACBKMNCT-QGZVFWFLSA-N 1 3 349.544 2.999 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088980641 1107193164 /nfs/dbraw/zinc/19/31/64/1107193164.db2.gz NQBMXYPTCBHAEX-LZQZEXGQSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(CF)cc1 ZINC001088980641 1107193169 /nfs/dbraw/zinc/19/31/69/1107193169.db2.gz NQBMXYPTCBHAEX-LZQZEXGQSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)c(C)s1 ZINC001088981126 1107202025 /nfs/dbraw/zinc/20/20/25/1107202025.db2.gz DJOIVGIBLIKRDV-KYJSFNMBSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)c(C)s1 ZINC001088981126 1107202036 /nfs/dbraw/zinc/20/20/36/1107202036.db2.gz DJOIVGIBLIKRDV-KYJSFNMBSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c(C)s1 ZINC001088984347 1107206992 /nfs/dbraw/zinc/20/69/92/1107206992.db2.gz VUCFSYYHYOZPQD-PBHICJAKSA-N 1 3 347.528 2.540 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089037342 1107333873 /nfs/dbraw/zinc/33/38/73/1107333873.db2.gz AZBDLOWTWCTKGS-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089037342 1107333890 /nfs/dbraw/zinc/33/38/90/1107333890.db2.gz AZBDLOWTWCTKGS-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001089037342 1107333905 /nfs/dbraw/zinc/33/39/05/1107333905.db2.gz AZBDLOWTWCTKGS-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001168344416 1107366549 /nfs/dbraw/zinc/36/65/49/1107366549.db2.gz BMTJYKFGEGKVTN-FGTMMUONSA-N 1 3 335.536 2.639 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCC1CC1 ZINC001089060339 1107377799 /nfs/dbraw/zinc/37/77/99/1107377799.db2.gz GGIZVNDJNCJDAX-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCC1CC1 ZINC001089060339 1107377810 /nfs/dbraw/zinc/37/78/10/1107377810.db2.gz GGIZVNDJNCJDAX-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCc2cccs2)CC1 ZINC001168346464 1107391237 /nfs/dbraw/zinc/39/12/37/1107391237.db2.gz ZPRBJXDGKVNZCX-UHFFFAOYSA-N 1 3 337.533 2.507 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000990275568 1107586944 /nfs/dbraw/zinc/58/69/44/1107586944.db2.gz BDVISUYLBKDMGW-PMACEKPBSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000990279124 1107591992 /nfs/dbraw/zinc/59/19/92/1107591992.db2.gz VWMZBKTVFVSWBY-APWZRJJASA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001089136465 1107598890 /nfs/dbraw/zinc/59/88/90/1107598890.db2.gz KPADFYZIHSKQEE-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001089136465 1107598897 /nfs/dbraw/zinc/59/88/97/1107598897.db2.gz KPADFYZIHSKQEE-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO c1ccc(-c2noc(CC[NH2+]C3CCN(CC4CC4)CC3)n2)cc1 ZINC001168353339 1107648146 /nfs/dbraw/zinc/64/81/46/1107648146.db2.gz LDPQPANBIBDVNU-UHFFFAOYSA-N 1 3 326.444 2.743 20 0 EFADHO CCN1CCN(c2ccc(NC[C@@]3(C)CCC[NH2+]C3)c(C)c2)CC1 ZINC000904358283 1107852017 /nfs/dbraw/zinc/85/20/17/1107852017.db2.gz JHLFNOAWJHNYJO-FQEVSTJZSA-N 1 3 330.520 2.939 20 0 EFADHO Cc1cc(N2CCC([NH2+]C[C@@H](N)CCC(C)(C)C)CC2)nc(C)n1 ZINC000904367736 1107860067 /nfs/dbraw/zinc/86/00/67/1107860067.db2.gz HHLYTZBIYYEBSV-INIZCTEOSA-N 1 3 333.524 2.805 20 0 EFADHO CCc1noc([C@H]2CC[C@H]([NH2+]Cc3cc4c(s3)CCNC4)C2)n1 ZINC000904427940 1107922729 /nfs/dbraw/zinc/92/27/29/1107922729.db2.gz BAGJLHUVXFXNQC-AAEUAGOBSA-N 1 3 332.473 2.765 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1csc2ccccc21 ZINC000904484814 1107970144 /nfs/dbraw/zinc/97/01/44/1107970144.db2.gz OYMZQSAJNPDAIN-KBPBESRZSA-N 1 3 331.485 2.749 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1csc2ccccc21 ZINC000904484817 1107970160 /nfs/dbraw/zinc/97/01/60/1107970160.db2.gz OYMZQSAJNPDAIN-KGLIPLIRSA-N 1 3 331.485 2.749 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC000904634499 1108073187 /nfs/dbraw/zinc/07/31/87/1108073187.db2.gz QLUNPURAYPCNGC-QAPCUYQASA-N 1 3 338.455 2.930 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccccc2C[NH3+])cc1 ZINC000904639230 1108077235 /nfs/dbraw/zinc/07/72/35/1108077235.db2.gz UDVUYHPESJHXKS-SFHVURJKSA-N 1 3 342.443 2.578 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)Cc2ccccc2)C1 ZINC001089226515 1108082666 /nfs/dbraw/zinc/08/26/66/1108082666.db2.gz IDBHGUKYILSPST-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)Cc2ccccc2)C1 ZINC001089226515 1108082682 /nfs/dbraw/zinc/08/26/82/1108082682.db2.gz IDBHGUKYILSPST-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCCC2)C1 ZINC001272385127 1108140695 /nfs/dbraw/zinc/14/06/95/1108140695.db2.gz VHVQAGUSGTWHIY-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001089258450 1108265097 /nfs/dbraw/zinc/26/50/97/1108265097.db2.gz ZBYOLKJBLCRSSY-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089258450 1108265108 /nfs/dbraw/zinc/26/51/08/1108265108.db2.gz ZBYOLKJBLCRSSY-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[C@H](C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430992 1108281886 /nfs/dbraw/zinc/28/18/86/1108281886.db2.gz JCQSPASLVFXWGB-LAUBAEHRSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[C@H](C)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430992 1108281893 /nfs/dbraw/zinc/28/18/93/1108281893.db2.gz JCQSPASLVFXWGB-LAUBAEHRSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393012 1108306572 /nfs/dbraw/zinc/30/65/72/1108306572.db2.gz XSUULXXLYPCSEC-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393012 1108306587 /nfs/dbraw/zinc/30/65/87/1108306587.db2.gz XSUULXXLYPCSEC-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(F)(F)F)C2)N(C)C ZINC001040261414 1108341371 /nfs/dbraw/zinc/34/13/71/1108341371.db2.gz OFRDRIPQYCPSBV-ZBFHGGJFSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(F)(F)F)C2)N(C)C ZINC001040261414 1108341385 /nfs/dbraw/zinc/34/13/85/1108341385.db2.gz OFRDRIPQYCPSBV-ZBFHGGJFSA-N 1 3 349.441 2.594 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC001409440575 1108429240 /nfs/dbraw/zinc/42/92/40/1108429240.db2.gz DPLSWOFAJHSXPU-UHFFFAOYSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001483733890 1108470625 /nfs/dbraw/zinc/47/06/25/1108470625.db2.gz IQVPPCHNHNRADK-GOSISDBHSA-N 1 3 329.488 2.606 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133164 1108518119 /nfs/dbraw/zinc/51/81/19/1108518119.db2.gz HVXQGCCNIIRDHA-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134256 1108559200 /nfs/dbraw/zinc/55/92/00/1108559200.db2.gz XEYXFOUZKDFLGG-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075333442 1108760451 /nfs/dbraw/zinc/76/04/51/1108760451.db2.gz RSBMZPUEMNWGMY-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(OCc2ccccc2)CC1)CN1CCCC1 ZINC000924713556 1108830642 /nfs/dbraw/zinc/83/06/42/1108830642.db2.gz FSYZFFXLTZYIAG-SFHVURJKSA-N 1 3 331.504 2.904 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001030020876 1108839256 /nfs/dbraw/zinc/83/92/56/1108839256.db2.gz DDMXVRSCOZLYOG-YTQUADARSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001030021634 1108892378 /nfs/dbraw/zinc/89/23/78/1108892378.db2.gz JAHRCPVRMWSNMU-IHPCNDPISA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001030021694 1108892911 /nfs/dbraw/zinc/89/29/11/1108892911.db2.gz MTCLOHXRTTYQSS-WDSOQIARSA-N 1 3 347.478 2.734 20 0 EFADHO CC1CC[NH+](CCCCNCc2cc(Br)nn2C)CC1 ZINC000785417938 1108939796 /nfs/dbraw/zinc/93/97/96/1108939796.db2.gz KDNQQJVTLUODDR-UHFFFAOYSA-N 1 3 343.313 2.784 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000898579723 1109020602 /nfs/dbraw/zinc/02/06/02/1109020602.db2.gz VCVZYHBXUBHQQE-BZSNNMDCSA-N 1 3 329.488 2.668 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000898579723 1109020607 /nfs/dbraw/zinc/02/06/07/1109020607.db2.gz VCVZYHBXUBHQQE-BZSNNMDCSA-N 1 3 329.488 2.668 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088811346 1109071092 /nfs/dbraw/zinc/07/10/92/1109071092.db2.gz XWNCKXQZJNVPAN-HOJAQTOUSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088811346 1109071097 /nfs/dbraw/zinc/07/10/97/1109071097.db2.gz XWNCKXQZJNVPAN-HOJAQTOUSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001088811964 1109104658 /nfs/dbraw/zinc/10/46/58/1109104658.db2.gz FLGCBSVQRLEMEO-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001088811964 1109104662 /nfs/dbraw/zinc/10/46/62/1109104662.db2.gz FLGCBSVQRLEMEO-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086172 1109628074 /nfs/dbraw/zinc/62/80/74/1109628074.db2.gz RZWDUGBIDZPOBK-IPMKNSEASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086172 1109628075 /nfs/dbraw/zinc/62/80/75/1109628075.db2.gz RZWDUGBIDZPOBK-IPMKNSEASA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)C1 ZINC001076161075 1109683791 /nfs/dbraw/zinc/68/37/91/1109683791.db2.gz FXOWDAHSCLJMAA-GBESFXJTSA-N 1 3 333.520 2.607 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)C1 ZINC001076161075 1109683793 /nfs/dbraw/zinc/68/37/93/1109683793.db2.gz FXOWDAHSCLJMAA-GBESFXJTSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccncc1CNC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001483153790 1109850491 /nfs/dbraw/zinc/85/04/91/1109850491.db2.gz NETURRNERJJEJP-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccncc1CNC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001483153790 1109850495 /nfs/dbraw/zinc/85/04/95/1109850495.db2.gz NETURRNERJJEJP-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Oc1ccc(CN2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168366756 1109913913 /nfs/dbraw/zinc/91/39/13/1109913913.db2.gz ZISBBBWROBXKHI-UHFFFAOYSA-N 1 3 343.515 2.821 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001483164111 1109914303 /nfs/dbraw/zinc/91/43/03/1109914303.db2.gz VEJSLXZSGJGFTG-AYOQOUSVSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001483197844 1109996947 /nfs/dbraw/zinc/99/69/47/1109996947.db2.gz GRRDEYCPMKSXJD-OAHLLOKOSA-N 1 3 337.895 2.810 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)c1 ZINC001088835711 1110055721 /nfs/dbraw/zinc/05/57/21/1110055721.db2.gz JSKRFRAGPAKUGR-UZLBHIALSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1C ZINC001127322180 1111411236 /nfs/dbraw/zinc/41/12/36/1111411236.db2.gz NEXPZZWJMPJRMQ-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CCc1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001127322722 1111420772 /nfs/dbraw/zinc/42/07/72/1111420772.db2.gz UUQJFQHAKNSOCG-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F)N1CCCCC1 ZINC001127326712 1111447032 /nfs/dbraw/zinc/44/70/32/1111447032.db2.gz AGFBOGQOZZKKPR-HNNXBMFYSA-N 1 3 345.478 2.782 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127326843 1111447811 /nfs/dbraw/zinc/44/78/11/1111447811.db2.gz BZCDZNFGDHFIFZ-UHFFFAOYSA-N 1 3 345.531 2.898 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21)N1CCCCC1 ZINC001127327268 1111456423 /nfs/dbraw/zinc/45/64/23/1111456423.db2.gz IYTNFFSEMHGHHU-SFHVURJKSA-N 1 3 347.478 2.783 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F)[NH+](C)C ZINC001272607837 1111549491 /nfs/dbraw/zinc/54/94/91/1111549491.db2.gz GMSLUUWKRDDAHW-SOUVJXGZSA-N 1 3 349.441 2.590 20 0 EFADHO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001272608316 1111551397 /nfs/dbraw/zinc/55/13/97/1111551397.db2.gz OLYACKXDEAPWGJ-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344568 1111557909 /nfs/dbraw/zinc/55/79/09/1111557909.db2.gz NPIISUOCDWIYDX-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344568 1111557911 /nfs/dbraw/zinc/55/79/11/1111557911.db2.gz NPIISUOCDWIYDX-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC001127357446 1111650238 /nfs/dbraw/zinc/65/02/38/1111650238.db2.gz XZKGFOYXCCLROM-QGZVFWFLSA-N 1 3 349.544 2.917 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC001127357446 1111650239 /nfs/dbraw/zinc/65/02/39/1111650239.db2.gz XZKGFOYXCCLROM-QGZVFWFLSA-N 1 3 349.544 2.917 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633987 1111684780 /nfs/dbraw/zinc/68/47/80/1111684780.db2.gz YPFVNOFKRVFUFX-KBAYOESNSA-N 1 3 325.541 2.693 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666815 1111709026 /nfs/dbraw/zinc/70/90/26/1111709026.db2.gz WOCLHKGYOYKGHG-GPMSIDNRSA-N 1 3 341.515 2.683 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666816 1111709071 /nfs/dbraw/zinc/70/90/71/1111709071.db2.gz WOCLHKGYOYKGHG-MDZRGWNJSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C2)C1 ZINC001106666086 1111709411 /nfs/dbraw/zinc/70/94/11/1111709411.db2.gz HVPSRZGUXPVONQ-KZNAEPCWSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1)N(C)C ZINC001106673492 1111713381 /nfs/dbraw/zinc/71/33/81/1111713381.db2.gz GBYMYJIGYGCMOJ-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672533 1111713423 /nfs/dbraw/zinc/71/34/23/1111713423.db2.gz BSACYYPVUSKCKZ-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001106704897 1111738297 /nfs/dbraw/zinc/73/82/97/1111738297.db2.gz HVMFWUDXWLLAMJ-SZVBFZGTSA-N 1 3 340.471 2.788 20 0 EFADHO Cc1cc(CN2CC[C@H](C3C[NH2+]C3)C2)c(Br)cc1F ZINC001235341531 1111745535 /nfs/dbraw/zinc/74/55/35/1111745535.db2.gz QBWKKHDKGUTRCL-NSHDSACASA-N 1 3 327.241 2.938 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001272615667 1111746265 /nfs/dbraw/zinc/74/62/65/1111746265.db2.gz GCLMXKXOWBAFLJ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106775399 1111819905 /nfs/dbraw/zinc/81/99/05/1111819905.db2.gz BYKAXRDCSUVSHH-PIIXRYACSA-N 1 3 343.943 2.935 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001106775574 1111822215 /nfs/dbraw/zinc/82/22/15/1111822215.db2.gz QTDQBUKLKQPGJB-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106779196 1111826460 /nfs/dbraw/zinc/82/64/60/1111826460.db2.gz HHHVOYRHTKPXES-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106783576 1111829021 /nfs/dbraw/zinc/82/90/21/1111829021.db2.gz UDYUXSLCSYHOPX-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2F)[C@H](C)C1 ZINC001106783373 1111829061 /nfs/dbraw/zinc/82/90/61/1111829061.db2.gz OTSBKOATRXKDBY-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001106784936 1111831585 /nfs/dbraw/zinc/83/15/85/1111831585.db2.gz ORZURIPKUYBTNC-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798578 1111850092 /nfs/dbraw/zinc/85/00/92/1111850092.db2.gz LNTZMTBPUCJCBR-ASIGSXEYSA-N 1 3 335.536 2.759 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272645478 1111857891 /nfs/dbraw/zinc/85/78/91/1111857891.db2.gz DEMJXROTXSASMO-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272645478 1111857895 /nfs/dbraw/zinc/85/78/95/1111857895.db2.gz DEMJXROTXSASMO-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO CN(C)Cc1ccc(-c2noc(Cc3ccc(CC[NH3+])cc3)n2)cc1 ZINC001212218302 1112007741 /nfs/dbraw/zinc/00/77/41/1112007741.db2.gz PPUKKYKDKUVNCI-UHFFFAOYSA-N 1 3 336.439 2.890 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089380917 1112041294 /nfs/dbraw/zinc/04/12/94/1112041294.db2.gz JQTNFXIYECABPF-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089380917 1112041298 /nfs/dbraw/zinc/04/12/98/1112041298.db2.gz JQTNFXIYECABPF-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089382058 1112043263 /nfs/dbraw/zinc/04/32/63/1112043263.db2.gz PKUCIFSAVQTZTR-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089382058 1112043267 /nfs/dbraw/zinc/04/32/67/1112043267.db2.gz PKUCIFSAVQTZTR-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089384469 1112047680 /nfs/dbraw/zinc/04/76/80/1112047680.db2.gz DFHKYMZTKIWDNF-INIZCTEOSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426512 1112115480 /nfs/dbraw/zinc/11/54/80/1112115480.db2.gz IXLGVMVDTRWWQK-IRXDYDNUSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426512 1112115482 /nfs/dbraw/zinc/11/54/82/1112115482.db2.gz IXLGVMVDTRWWQK-IRXDYDNUSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1)N1CCCC1 ZINC001089459071 1112173995 /nfs/dbraw/zinc/17/39/95/1112173995.db2.gz RUPFXJVWOVAHSY-INIZCTEOSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1)N1CCCC1 ZINC001089459071 1112173996 /nfs/dbraw/zinc/17/39/96/1112173996.db2.gz RUPFXJVWOVAHSY-INIZCTEOSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491028 1112225353 /nfs/dbraw/zinc/22/53/53/1112225353.db2.gz IODYJXNPQNUAPO-ZWKOTPCHSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491028 1112225355 /nfs/dbraw/zinc/22/53/55/1112225355.db2.gz IODYJXNPQNUAPO-ZWKOTPCHSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001089547925 1112292549 /nfs/dbraw/zinc/29/25/49/1112292549.db2.gz FLNMPTMGRKRONM-HIFRSBDPSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001089547925 1112292554 /nfs/dbraw/zinc/29/25/54/1112292554.db2.gz FLNMPTMGRKRONM-HIFRSBDPSA-N 1 3 338.471 2.616 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(CCF)CC(C)(C)C2)c1 ZINC001089560715 1112309573 /nfs/dbraw/zinc/30/95/73/1112309573.db2.gz FNVYDLQPHOZMIF-GOSISDBHSA-N 1 3 349.494 2.938 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089565428 1112315456 /nfs/dbraw/zinc/31/54/56/1112315456.db2.gz RWHGHTXBCMLIER-KRWDZBQOSA-N 1 3 349.494 2.938 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684707 1112354637 /nfs/dbraw/zinc/35/46/37/1112354637.db2.gz ZSHVRAMXNCXMEB-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001031684707 1112354640 /nfs/dbraw/zinc/35/46/40/1112354640.db2.gz ZSHVRAMXNCXMEB-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001409911017 1112420141 /nfs/dbraw/zinc/42/01/41/1112420141.db2.gz JTQRDCRSBSHUGP-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089639262 1112428526 /nfs/dbraw/zinc/42/85/26/1112428526.db2.gz RWGYKJBRHYGNFB-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089639262 1112428527 /nfs/dbraw/zinc/42/85/27/1112428527.db2.gz RWGYKJBRHYGNFB-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641478 1112432616 /nfs/dbraw/zinc/43/26/16/1112432616.db2.gz NDTQSUJWWLVVPJ-MOPGFXCFSA-N 1 3 347.547 2.901 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001483785779 1112448170 /nfs/dbraw/zinc/44/81/70/1112448170.db2.gz YEHMJALYZGWINF-GOSISDBHSA-N 1 3 331.504 2.628 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](CCF)CC2CC2)CC1)CC(C)(C)C ZINC001483817210 1112467363 /nfs/dbraw/zinc/46/73/63/1112467363.db2.gz CYNBPZMEDOKIPN-UHFFFAOYSA-N 1 3 341.515 2.637 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](CCF)CC2CC2)CC1)CC(C)(C)C ZINC001483817210 1112467366 /nfs/dbraw/zinc/46/73/66/1112467366.db2.gz CYNBPZMEDOKIPN-UHFFFAOYSA-N 1 3 341.515 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC001483845958 1112505203 /nfs/dbraw/zinc/50/52/03/1112505203.db2.gz CJHYNVNJEUGRGQ-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCc3cccs3)C2)C1 ZINC001483845958 1112505207 /nfs/dbraw/zinc/50/52/07/1112505207.db2.gz CJHYNVNJEUGRGQ-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO C[N@H+](CC(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1)CC(C)(C)C ZINC001483849304 1112510151 /nfs/dbraw/zinc/51/01/51/1112510151.db2.gz SSLDHMWVZMRDQB-GNJLHFKMSA-N 1 3 341.927 2.641 20 0 EFADHO C[N@@H+](CC(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1)CC(C)(C)C ZINC001483849304 1112510154 /nfs/dbraw/zinc/51/01/54/1112510154.db2.gz SSLDHMWVZMRDQB-GNJLHFKMSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001106906134 1112657824 /nfs/dbraw/zinc/65/78/24/1112657824.db2.gz YOAIGMUXIVUJKA-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3csc(Cl)c3)CC2)CC1 ZINC001142780399 1112691210 /nfs/dbraw/zinc/69/12/10/1112691210.db2.gz SCWUUTREFORBOA-UHFFFAOYSA-N 1 3 327.925 2.861 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1)CC(C)(C)C ZINC001484168983 1112876339 /nfs/dbraw/zinc/87/63/39/1112876339.db2.gz RNHORNYUCTWSHV-GOSISDBHSA-N 1 3 329.504 2.542 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1)CC(C)(C)C ZINC001484168983 1112876342 /nfs/dbraw/zinc/87/63/42/1112876342.db2.gz RNHORNYUCTWSHV-GOSISDBHSA-N 1 3 329.504 2.542 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723537 1112953857 /nfs/dbraw/zinc/95/38/57/1112953857.db2.gz LQZTWVGDQLKTCT-KRWDZBQOSA-N 1 3 333.520 2.655 20 0 EFADHO CCc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001484548115 1112996571 /nfs/dbraw/zinc/99/65/71/1112996571.db2.gz VWIKWJJFRRKNNV-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001484546490 1112999488 /nfs/dbraw/zinc/99/94/88/1112999488.db2.gz HYPFIRCPSWJIFC-DLBZAZTESA-N 1 3 325.541 2.981 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CCC3CC3)CCC2)c1 ZINC001484663346 1113103325 /nfs/dbraw/zinc/10/33/25/1113103325.db2.gz QDFUCCTZOOGJCV-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCCCF)CC1(C)C)N(C)C ZINC001484938014 1117852893 /nfs/dbraw/zinc/85/28/93/1117852893.db2.gz ZLJISLOMRCJEBQ-SJORKVTESA-N 1 3 343.531 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCCCF)CC1(C)C)N(C)C ZINC001484938014 1117852897 /nfs/dbraw/zinc/85/28/97/1117852897.db2.gz ZLJISLOMRCJEBQ-SJORKVTESA-N 1 3 343.531 2.929 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1F ZINC001485076566 1118018451 /nfs/dbraw/zinc/01/84/51/1118018451.db2.gz UINYYPMKPSARAE-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1F ZINC001485076566 1118018455 /nfs/dbraw/zinc/01/84/55/1118018455.db2.gz UINYYPMKPSARAE-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001485261192 1118180595 /nfs/dbraw/zinc/18/05/95/1118180595.db2.gz ADXNRRSNLYNCSV-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(CF)cc1 ZINC001485325206 1118255910 /nfs/dbraw/zinc/25/59/10/1118255910.db2.gz UFKFFDNZUMKKKG-MRXNPFEDSA-N 1 3 347.478 2.721 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976824 1118749262 /nfs/dbraw/zinc/74/92/62/1118749262.db2.gz SXKHORAWKPDCKP-UZLBHIALSA-N 1 3 343.515 2.556 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976824 1118749263 /nfs/dbraw/zinc/74/92/63/1118749263.db2.gz SXKHORAWKPDCKP-UZLBHIALSA-N 1 3 343.515 2.556 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040954029 1118802040 /nfs/dbraw/zinc/80/20/40/1118802040.db2.gz VPQCGUPQCDNFLX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862921 1118805663 /nfs/dbraw/zinc/80/56/63/1118805663.db2.gz QVSYHEQMKKRXQC-MANSERQUSA-N 1 3 347.547 2.687 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862921 1118805665 /nfs/dbraw/zinc/80/56/65/1118805665.db2.gz QVSYHEQMKKRXQC-MANSERQUSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C)NC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272716940 1118946416 /nfs/dbraw/zinc/94/64/16/1118946416.db2.gz NHVDPBJVYNBMRS-ZWKOTPCHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032026433 1118953815 /nfs/dbraw/zinc/95/38/15/1118953815.db2.gz FQBWSZZNRGVKMM-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001032119289 1119768640 /nfs/dbraw/zinc/76/86/40/1119768640.db2.gz LHKLBJGAEOTVIF-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001032119653 1119770256 /nfs/dbraw/zinc/77/02/56/1119770256.db2.gz XWAFCVATHYZOOO-TVPLGVNVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]C/C=C/Cl ZINC001107029075 1119818482 /nfs/dbraw/zinc/81/84/82/1119818482.db2.gz LHPGTGFCZIKPNS-ZEDVSWOJSA-N 1 3 349.906 2.798 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128328 1119825422 /nfs/dbraw/zinc/82/54/22/1119825422.db2.gz AAGMUUDJIYUFQM-ICSRJNTNSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128330 1119825538 /nfs/dbraw/zinc/82/55/38/1119825538.db2.gz AAGMUUDJIYUFQM-UYAOXDASSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@H](C)C1 ZINC001107040952 1120057930 /nfs/dbraw/zinc/05/79/30/1120057930.db2.gz UJCYLZIZHJLNLT-JWHDQAAXSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2F)[C@H](C)C1 ZINC001107042288 1120067199 /nfs/dbraw/zinc/06/71/99/1120067199.db2.gz FKYBFWIIUXSLLV-BRWVUGGUSA-N 1 3 349.494 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C ZINC000944446245 1120194937 /nfs/dbraw/zinc/19/49/37/1120194937.db2.gz TXRWNJCWPPOQMM-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1C ZINC000944446245 1120194940 /nfs/dbraw/zinc/19/49/40/1120194940.db2.gz TXRWNJCWPPOQMM-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032206084 1120200314 /nfs/dbraw/zinc/20/03/14/1120200314.db2.gz RJOPWMABQKTHFS-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001032206180 1120200689 /nfs/dbraw/zinc/20/06/89/1120200689.db2.gz UAXRREGFTFNINF-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO COC(=O)C1(C)CCC(N2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001168768056 1120208308 /nfs/dbraw/zinc/20/83/08/1120208308.db2.gz OZSVFYRJPQARAJ-UHFFFAOYSA-N 1 3 345.487 2.539 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC(C)(C)C[NH+](C)C)cn2)CC1 ZINC001168768080 1120209455 /nfs/dbraw/zinc/20/94/55/1120209455.db2.gz PIVDAIDQVLKQDE-UHFFFAOYSA-N 1 3 333.524 2.612 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029635 1120520801 /nfs/dbraw/zinc/52/08/01/1120520801.db2.gz VGKSDUHQZOJDBF-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029635 1120520806 /nfs/dbraw/zinc/52/08/06/1120520806.db2.gz VGKSDUHQZOJDBF-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091528 1120547334 /nfs/dbraw/zinc/54/73/34/1120547334.db2.gz NPDYSCMFFSZVGG-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091528 1120547339 /nfs/dbraw/zinc/54/73/39/1120547339.db2.gz NPDYSCMFFSZVGG-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO COc1cc(Br)c(CNC2CCC([NH3+])CC2)cc1OC ZINC000051694055 214101096 /nfs/dbraw/zinc/10/10/96/214101096.db2.gz XHXBKUZWQONWLD-UHFFFAOYSA-N 1 3 343.265 2.826 20 0 EFADHO C[NH+](C)CCOCCN[C@H]1CCc2ccc(Br)cc21 ZINC000311551418 282108674 /nfs/dbraw/zinc/10/86/74/282108674.db2.gz LUROVAKMDBVXGA-HNNXBMFYSA-N 1 3 327.266 2.604 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246498440 282110183 /nfs/dbraw/zinc/11/01/83/282110183.db2.gz XRIBWSBILRTHJS-IPMKNSEASA-N 1 3 332.488 2.920 20 0 EFADHO Cc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173959604 231082151 /nfs/dbraw/zinc/08/21/51/231082151.db2.gz PPTCBMGQGWNHPW-UHFFFAOYSA-N 1 3 332.488 2.951 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174553356 231239785 /nfs/dbraw/zinc/23/97/85/231239785.db2.gz ZHTNBBQJVDKAHU-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000264489494 282174211 /nfs/dbraw/zinc/17/42/11/282174211.db2.gz PIUJBKJFFNDLCU-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098030487 219072052 /nfs/dbraw/zinc/07/20/52/219072052.db2.gz VOEUZBAYFOLNRI-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000098030487 219072053 /nfs/dbraw/zinc/07/20/53/219072053.db2.gz VOEUZBAYFOLNRI-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000150969803 529681681 /nfs/dbraw/zinc/68/16/81/529681681.db2.gz PSMZIAKKZUPQPL-GOSISDBHSA-N 1 3 349.519 2.771 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000246162918 282239589 /nfs/dbraw/zinc/23/95/89/282239589.db2.gz KVDIUAWAWTYZFK-RBUKOAKNSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000246162918 282239591 /nfs/dbraw/zinc/23/95/91/282239591.db2.gz KVDIUAWAWTYZFK-RBUKOAKNSA-N 1 3 346.519 2.805 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261961176 282248101 /nfs/dbraw/zinc/24/81/01/282248101.db2.gz PISLWFHVUYGNJB-IBGZPJMESA-N 1 3 339.487 2.848 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176610614 231693877 /nfs/dbraw/zinc/69/38/77/231693877.db2.gz GZCLXBMEKDPCOK-OALUTQOASA-N 1 3 346.519 2.633 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000353564770 282312884 /nfs/dbraw/zinc/31/28/84/282312884.db2.gz IJZUYAQQDLDCHA-YOEHRIQHSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000353564770 282312887 /nfs/dbraw/zinc/31/28/87/282312887.db2.gz IJZUYAQQDLDCHA-YOEHRIQHSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000353564770 282312891 /nfs/dbraw/zinc/31/28/91/282312891.db2.gz IJZUYAQQDLDCHA-YOEHRIQHSA-N 1 3 330.501 2.889 20 0 EFADHO C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000154170987 530064247 /nfs/dbraw/zinc/06/42/47/530064247.db2.gz OCDKLIGHNDPCBV-UFYCRDLUSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000154170987 530064248 /nfs/dbraw/zinc/06/42/48/530064248.db2.gz OCDKLIGHNDPCBV-UFYCRDLUSA-N 1 3 341.499 2.594 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000067452889 215147700 /nfs/dbraw/zinc/14/77/00/215147700.db2.gz SZEXIISQWYZSGH-IYBDPMFKSA-N 1 3 333.476 2.624 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000067452783 215148477 /nfs/dbraw/zinc/14/84/77/215148477.db2.gz VYTDIFYAOYGDHX-IYBDPMFKSA-N 1 3 346.475 2.957 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@@H](C)O1 ZINC000067452822 215148549 /nfs/dbraw/zinc/14/85/49/215148549.db2.gz YEJBTTMGNVUHDY-QZTJIDSGSA-N 1 3 342.487 2.851 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000458755682 255768817 /nfs/dbraw/zinc/76/88/17/255768817.db2.gz DISFDJFAQRTSKK-DOTOQJQBSA-N 1 3 334.508 2.626 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000179697153 233331965 /nfs/dbraw/zinc/33/19/65/233331965.db2.gz YWACRDFXXBVCGQ-KRWDZBQOSA-N 1 3 338.467 2.619 20 0 EFADHO C[C@H]([NH3+])C1CCN(CCOc2cccc(Br)c2)CC1 ZINC000104135377 219350560 /nfs/dbraw/zinc/35/05/60/219350560.db2.gz YWIZOSRSRZARGR-LBPRGKRZSA-N 1 3 327.266 2.887 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068775247 215332752 /nfs/dbraw/zinc/33/27/52/215332752.db2.gz FRXMRHHTQPASJT-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068775247 215332755 /nfs/dbraw/zinc/33/27/55/215332755.db2.gz FRXMRHHTQPASJT-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C(=O)[C@]1(C)CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000181001780 234058161 /nfs/dbraw/zinc/05/81/61/234058161.db2.gz OWLZFHGGMFAOGL-FQEVSTJZSA-N 1 3 329.488 2.642 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236709649 535214473 /nfs/dbraw/zinc/21/44/73/535214473.db2.gz XAIYOUIWSIKORZ-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000416843641 283005543 /nfs/dbraw/zinc/00/55/43/283005543.db2.gz PBNGFANTXSCRPM-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000352316558 295884746 /nfs/dbraw/zinc/88/47/46/295884746.db2.gz VSYWIXABLVWIFR-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000418505038 291059904 /nfs/dbraw/zinc/05/99/04/291059904.db2.gz BTOLCAZKCRESEV-WMZOPIPTSA-N 1 3 344.503 2.562 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495357 283106591 /nfs/dbraw/zinc/10/65/91/283106591.db2.gz GCEZTIZUUYWUPA-QFBILLFUSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495357 283106592 /nfs/dbraw/zinc/10/65/92/283106592.db2.gz GCEZTIZUUYWUPA-QFBILLFUSA-N 1 3 337.508 2.661 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417033136 295905541 /nfs/dbraw/zinc/90/55/41/295905541.db2.gz RKFYCFCCHBNHJT-WMZOPIPTSA-N 1 3 332.492 2.640 20 0 EFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000183211190 283162303 /nfs/dbraw/zinc/16/23/03/283162303.db2.gz GMKVYHMGHVMICN-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000351873736 283171227 /nfs/dbraw/zinc/17/12/27/283171227.db2.gz ASPOCOFOQUANSJ-GOSISDBHSA-N 1 3 334.508 2.629 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000351873736 283171231 /nfs/dbraw/zinc/17/12/31/283171231.db2.gz ASPOCOFOQUANSJ-GOSISDBHSA-N 1 3 334.508 2.629 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000360886621 283176007 /nfs/dbraw/zinc/17/60/07/283176007.db2.gz SBONDZIXOHHBPB-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000360886621 283176011 /nfs/dbraw/zinc/17/60/11/283176011.db2.gz SBONDZIXOHHBPB-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418742517 283253473 /nfs/dbraw/zinc/25/34/73/283253473.db2.gz BYHDAOWEBHYRBQ-SFHVURJKSA-N 1 3 338.540 2.816 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000358579148 283253555 /nfs/dbraw/zinc/25/35/55/283253555.db2.gz NOQKMHFSQKEGKB-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCc2ccccc21 ZINC000414679228 283279857 /nfs/dbraw/zinc/27/98/57/283279857.db2.gz RLGZUIHHLGBDOM-QFBILLFUSA-N 1 3 329.488 2.583 20 0 EFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CCc2ccccc21 ZINC000414679228 283279862 /nfs/dbraw/zinc/27/98/62/283279862.db2.gz RLGZUIHHLGBDOM-QFBILLFUSA-N 1 3 329.488 2.583 20 0 EFADHO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962692 291127355 /nfs/dbraw/zinc/12/73/55/291127355.db2.gz KUCUDLRKUOPQNJ-RXVVDRJESA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962692 291127356 /nfs/dbraw/zinc/12/73/56/291127356.db2.gz KUCUDLRKUOPQNJ-RXVVDRJESA-N 1 3 343.515 2.577 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353110162 283336255 /nfs/dbraw/zinc/33/62/55/283336255.db2.gz JYVRAWCLPYENDC-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353110162 283336263 /nfs/dbraw/zinc/33/62/63/283336263.db2.gz JYVRAWCLPYENDC-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000130292968 223140786 /nfs/dbraw/zinc/14/07/86/223140786.db2.gz YIOATJLMQYRVTA-XLIONFOSSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000130414352 223150611 /nfs/dbraw/zinc/15/06/11/223150611.db2.gz RLBXCCFEWLKJKT-PXNSSMCTSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000131772156 223271786 /nfs/dbraw/zinc/27/17/86/223271786.db2.gz IGALJYXDLYSVFV-MNOVXSKESA-N 1 3 330.259 2.991 20 0 EFADHO C[C@@H]1CN(CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000191473763 239132430 /nfs/dbraw/zinc/13/24/30/239132430.db2.gz RMXMEOQDUIIFDI-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CN(CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000191473763 239132437 /nfs/dbraw/zinc/13/24/37/239132437.db2.gz RMXMEOQDUIIFDI-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CCCN1C ZINC000345761394 291286264 /nfs/dbraw/zinc/28/62/64/291286264.db2.gz VSONPWDMONQWBG-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000345761394 291286266 /nfs/dbraw/zinc/28/62/66/291286266.db2.gz VSONPWDMONQWBG-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H](c1ccccc1)N(C)C ZINC000349574460 296077393 /nfs/dbraw/zinc/07/73/93/296077393.db2.gz JNOFFQQVOVPZIG-SJLPKXTDSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000352821025 296079758 /nfs/dbraw/zinc/07/97/58/296079758.db2.gz RWLWQUPXFVJXNV-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000352821025 296079760 /nfs/dbraw/zinc/07/97/60/296079760.db2.gz RWLWQUPXFVJXNV-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000132862641 223368488 /nfs/dbraw/zinc/36/84/88/223368488.db2.gz XPBBXQKLVGOWFR-LSDHHAIUSA-N 1 3 336.451 2.986 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000132862437 223369164 /nfs/dbraw/zinc/36/91/64/223369164.db2.gz XPBBXQKLVGOWFR-CABCVRRESA-N 1 3 336.451 2.986 20 0 EFADHO COCC1(CNCc2sccc2Br)CC[NH2+]CC1 ZINC000234713973 242279006 /nfs/dbraw/zinc/27/90/06/242279006.db2.gz OOLWCFSQJDUIDO-UHFFFAOYSA-N 1 3 333.295 2.616 20 0 EFADHO CC1CCC(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000236711156 242329716 /nfs/dbraw/zinc/32/97/16/242329716.db2.gz MJKJVASBFAYRNU-PNIOZXJOSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236766534 242349878 /nfs/dbraw/zinc/34/98/78/242349878.db2.gz RECZVNGZPCJZMS-HKUYNNGSSA-N 1 3 349.494 2.870 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236593455 242292197 /nfs/dbraw/zinc/29/21/97/242292197.db2.gz OPGANKKOGVAWCR-FUHWJXTLSA-N 1 3 335.467 2.527 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000236682808 242318475 /nfs/dbraw/zinc/31/84/75/242318475.db2.gz OMQRDXJOMIBXNQ-SFTDATJTSA-N 1 3 327.516 2.910 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000237321489 242584853 /nfs/dbraw/zinc/58/48/53/242584853.db2.gz OHBPJMUMNPVCRC-SFHVURJKSA-N 1 3 349.544 2.615 20 0 EFADHO OC[C@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411985764 243057602 /nfs/dbraw/zinc/05/76/02/243057602.db2.gz JGSKYCSFTMYXRN-PMACEKPBSA-N 1 3 332.488 2.550 20 0 EFADHO OC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCOC1 ZINC000411985764 243057608 /nfs/dbraw/zinc/05/76/08/243057608.db2.gz JGSKYCSFTMYXRN-PMACEKPBSA-N 1 3 332.488 2.550 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412133086 243159133 /nfs/dbraw/zinc/15/91/33/243159133.db2.gz WWLBLKANMNUAFL-QGZVFWFLSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000412139445 243164241 /nfs/dbraw/zinc/16/42/41/243164241.db2.gz RZPLXWJZXJSLIV-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000412139445 243164246 /nfs/dbraw/zinc/16/42/46/243164246.db2.gz RZPLXWJZXJSLIV-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H](c1nc2ccccc2o1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245528315 243124317 /nfs/dbraw/zinc/12/43/17/243124317.db2.gz BIYJKPQMQBSQFM-LSDHHAIUSA-N 1 3 331.460 2.913 20 0 EFADHO CCCc1ccc([C@H](C)N(CCC2CC[NH2+]CC2)CC(N)=O)cc1 ZINC000359227447 284111417 /nfs/dbraw/zinc/11/14/17/284111417.db2.gz WIYYSDWCCCDMHS-INIZCTEOSA-N 1 3 331.504 2.877 20 0 EFADHO CN1CCC(C[NH2+][C@H](c2ccccc2)C2CC2)(N2CCOCC2)CC1 ZINC000414190038 244038278 /nfs/dbraw/zinc/03/82/78/244038278.db2.gz KDINDQFBADHVBN-HXUWFJFHSA-N 1 3 343.515 2.524 20 0 EFADHO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195709 244040737 /nfs/dbraw/zinc/04/07/37/244040737.db2.gz OGZRLIQMTZSYBZ-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414322204 244087841 /nfs/dbraw/zinc/08/78/41/244087841.db2.gz GGXHCYUVURUVJB-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H](CC1CC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414326351 244090679 /nfs/dbraw/zinc/09/06/79/244090679.db2.gz NNNNTEWOEUOBSL-OAHLLOKOSA-N 1 3 329.488 2.662 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000414260839 244065372 /nfs/dbraw/zinc/06/53/72/244065372.db2.gz HQHZRUJMUNZGJB-CWJKEVGVSA-N 1 3 345.531 2.596 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000414260843 244066476 /nfs/dbraw/zinc/06/64/76/244066476.db2.gz HQHZRUJMUNZGJB-FYZZASKESA-N 1 3 345.531 2.596 20 0 EFADHO OCC1([NH2+]C2CCN(c3ccncc3)CC2)C2CC3CC(C2)CC1C3 ZINC000414564245 244234790 /nfs/dbraw/zinc/23/47/90/244234790.db2.gz VKQBSHZRSYJNSV-UHFFFAOYSA-N 1 3 341.499 2.827 20 0 EFADHO C[N@H+](CCc1cccc2ccccc21)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703170 244298710 /nfs/dbraw/zinc/29/87/10/244298710.db2.gz XYARHGYCBXFQKN-QGZVFWFLSA-N 1 3 339.483 2.511 20 0 EFADHO C[N@@H+](CCc1cccc2ccccc21)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703170 244298715 /nfs/dbraw/zinc/29/87/15/244298715.db2.gz XYARHGYCBXFQKN-QGZVFWFLSA-N 1 3 339.483 2.511 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)C2CCCC2)C1 ZINC000414691233 244293900 /nfs/dbraw/zinc/29/39/00/244293900.db2.gz JMGRQPNFTAWZFT-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](CCc2ccccc2)C2CCCC2)C1 ZINC000414691233 244293905 /nfs/dbraw/zinc/29/39/05/244293905.db2.gz JMGRQPNFTAWZFT-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695902 244294425 /nfs/dbraw/zinc/29/44/25/244294425.db2.gz GBGYRXIZCCPEHX-LBPRGKRZSA-N 1 3 344.286 2.623 20 0 EFADHO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414695902 244294430 /nfs/dbraw/zinc/29/44/30/244294430.db2.gz GBGYRXIZCCPEHX-LBPRGKRZSA-N 1 3 344.286 2.623 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000414697643 244296558 /nfs/dbraw/zinc/29/65/58/244296558.db2.gz CKIIBVGOBYXOFR-HNNXBMFYSA-N 1 3 349.906 2.896 20 0 EFADHO CC[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1c1ccccc1 ZINC000414704941 244298303 /nfs/dbraw/zinc/29/83/03/244298303.db2.gz KDHBPZUORYRWLC-QWFCFKBJSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)CC[C@H]1c1ccccc1 ZINC000414704941 244298309 /nfs/dbraw/zinc/29/83/09/244298309.db2.gz KDHBPZUORYRWLC-QWFCFKBJSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689223 244292472 /nfs/dbraw/zinc/29/24/72/244292472.db2.gz KLXIKNZOKVSWTQ-MISYRCLQSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689223 244292475 /nfs/dbraw/zinc/29/24/75/244292475.db2.gz KLXIKNZOKVSWTQ-MISYRCLQSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]1C[C@H](CN(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414739293 244318478 /nfs/dbraw/zinc/31/84/78/244318478.db2.gz CDDAOWWCFPGMSL-NWDGAFQWSA-N 1 3 347.322 2.693 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414773530 244338981 /nfs/dbraw/zinc/33/89/81/244338981.db2.gz AGAOIRDUAGFWAR-MSOLQXFVSA-N 1 3 334.508 2.583 20 0 EFADHO C[C@H]1C[C@H](CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]1 ZINC000414755077 244326922 /nfs/dbraw/zinc/32/69/22/244326922.db2.gz YPLSISLWQQDKRB-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO Clc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000414773595 244339347 /nfs/dbraw/zinc/33/93/47/244339347.db2.gz DOCGNGXAQVFWOT-HUUCEWRRSA-N 1 3 345.878 2.742 20 0 EFADHO C[C@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423438792 299401243 /nfs/dbraw/zinc/40/12/43/299401243.db2.gz NIIGICKYPSXYHU-ZOCIIQOWSA-N 1 3 327.472 2.852 20 0 EFADHO [NH3+]C[C@@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414809135 244361070 /nfs/dbraw/zinc/36/10/70/244361070.db2.gz TYZBZEPRHGNHQO-QGZVFWFLSA-N 1 3 325.859 2.770 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414810190 244361766 /nfs/dbraw/zinc/36/17/66/244361766.db2.gz UYFAHDAOZRQMOO-XLIONFOSSA-N 1 3 333.495 2.940 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H]1CCCNC1 ZINC000414854373 244372833 /nfs/dbraw/zinc/37/28/33/244372833.db2.gz LTYKNCBVQDVUSG-HUUCEWRRSA-N 1 3 349.906 2.922 20 0 EFADHO COc1cccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1OC(C)C ZINC000414777414 244341999 /nfs/dbraw/zinc/34/19/99/244341999.db2.gz FGZIGEKETYBJNI-MJGOQNOKSA-N 1 3 348.487 2.811 20 0 EFADHO CC(C)COc1ccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414778011 244342174 /nfs/dbraw/zinc/34/21/74/244342174.db2.gz IUQDVIRMQKXTLA-GOSISDBHSA-N 1 3 332.488 2.909 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(C2CCCCC2)n1 ZINC000414783010 244346921 /nfs/dbraw/zinc/34/69/21/244346921.db2.gz YLXGEYDWNWJUHJ-QUCCMNQESA-N 1 3 346.519 2.796 20 0 EFADHO Oc1ccc(Br)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783224 244349183 /nfs/dbraw/zinc/34/91/83/244349183.db2.gz PQUJKLFTPCRGQD-OLZOCXBDSA-N 1 3 339.277 2.976 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH2+]CC1 ZINC000414787057 244349662 /nfs/dbraw/zinc/34/96/62/244349662.db2.gz YFKQGMQGHVNYBY-NSHDSACASA-N 1 3 340.265 2.508 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCNCC1 ZINC000414787057 244349669 /nfs/dbraw/zinc/34/96/69/244349669.db2.gz YFKQGMQGHVNYBY-NSHDSACASA-N 1 3 340.265 2.508 20 0 EFADHO Clc1ccc(OCC2CC2)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414789897 244354427 /nfs/dbraw/zinc/35/44/27/244354427.db2.gz FZSLLZFGTFOCEI-UHFFFAOYSA-N 1 3 337.895 2.514 20 0 EFADHO C[C@H](CC[NH3+])NCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414884137 244389006 /nfs/dbraw/zinc/38/90/06/244389006.db2.gz AXKSLTOAVNQUAR-MRXNPFEDSA-N 1 3 335.455 2.820 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261635326 244617058 /nfs/dbraw/zinc/61/70/58/244617058.db2.gz CDPUNKSCEBZTHY-QXCFHYIPSA-N 1 3 329.488 2.531 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000416846134 244870998 /nfs/dbraw/zinc/87/09/98/244870998.db2.gz TUCKBPQWPDLXFM-IEBWSBKVSA-N 1 3 346.519 2.711 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208469 245047402 /nfs/dbraw/zinc/04/74/02/245047402.db2.gz AYBXBRMZODRBDE-HKUYNNGSSA-N 1 3 346.519 2.614 20 0 EFADHO CCC[C@](C)(N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000262586475 245047883 /nfs/dbraw/zinc/04/78/83/245047883.db2.gz SSGYUEGPJAAZID-IBGZPJMESA-N 1 3 332.492 2.664 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000417216409 245049603 /nfs/dbraw/zinc/04/96/03/245049603.db2.gz BRTRXKUVTWFPJS-LMMKCTJWSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000417225845 245052823 /nfs/dbraw/zinc/05/28/23/245052823.db2.gz YRGZLUHKYVMKOG-JFRXWTBNSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417677182 245086649 /nfs/dbraw/zinc/08/66/49/245086649.db2.gz FNQROYBHBCNAHB-ZLPCBKJTSA-N 1 3 344.503 2.781 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418314331 245120510 /nfs/dbraw/zinc/12/05/10/245120510.db2.gz SCFCCUFQQJGBGA-WMZOPIPTSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000262668720 245110117 /nfs/dbraw/zinc/11/01/17/245110117.db2.gz LUYVLTXLBJDTMW-BHIYHBOVSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[C@@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262690414 245122959 /nfs/dbraw/zinc/12/29/59/245122959.db2.gz ABUGFYNGJRMIMZ-AQDPXUSMSA-N 1 3 329.488 2.816 20 0 EFADHO CCC[C@@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262690414 245122964 /nfs/dbraw/zinc/12/29/64/245122964.db2.gz ABUGFYNGJRMIMZ-AQDPXUSMSA-N 1 3 329.488 2.816 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330899 245123857 /nfs/dbraw/zinc/12/38/57/245123857.db2.gz PNWRJDJHBVLMSZ-QFBILLFUSA-N 1 3 346.519 2.793 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330899 245123861 /nfs/dbraw/zinc/12/38/61/245123861.db2.gz PNWRJDJHBVLMSZ-QFBILLFUSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000418350132 245131423 /nfs/dbraw/zinc/13/14/23/245131423.db2.gz KVWGYOVHQJTGDG-MSOLQXFVSA-N 1 3 332.492 2.641 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000418350722 245131529 /nfs/dbraw/zinc/13/15/29/245131529.db2.gz LPSABYACNCGCLL-GOSISDBHSA-N 1 3 346.519 2.936 20 0 EFADHO [NH3+]C1(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000262709723 245134776 /nfs/dbraw/zinc/13/47/76/245134776.db2.gz PHDJFZABSAMLNM-UHFFFAOYSA-N 1 3 327.472 2.525 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000262719476 245141378 /nfs/dbraw/zinc/14/13/78/245141378.db2.gz YFNYBZPYHWEUHT-HXUWFJFHSA-N 1 3 331.504 2.671 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418402492 245146490 /nfs/dbraw/zinc/14/64/90/245146490.db2.gz HNGMKFHWZUOFMX-MOPGFXCFSA-N 1 3 346.519 2.797 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418502819 245176560 /nfs/dbraw/zinc/17/65/60/245176560.db2.gz WKEHSHYECSORQN-GDIGMMSISA-N 1 3 340.471 2.608 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418501413 245176660 /nfs/dbraw/zinc/17/66/60/245176660.db2.gz QUBBKAXSUHLBPX-RBUKOAKNSA-N 1 3 340.471 2.575 20 0 EFADHO NC[C@H](NC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499709 245177569 /nfs/dbraw/zinc/17/75/69/245177569.db2.gz MNQMYXGXQAIUCC-BEFAXECRSA-N 1 3 340.471 2.610 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418503858 245179659 /nfs/dbraw/zinc/17/96/59/245179659.db2.gz ZVXSVXMWTSFDEL-JVPBZIDWSA-N 1 3 340.471 2.751 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418432675 245155339 /nfs/dbraw/zinc/15/53/39/245155339.db2.gz ZWHKLQHHQORATB-IEBWSBKVSA-N 1 3 346.519 2.666 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418446043 245160474 /nfs/dbraw/zinc/16/04/74/245160474.db2.gz NSHGGPGYTRUXFQ-ZWKOTPCHSA-N 1 3 328.460 2.656 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418444840 245161060 /nfs/dbraw/zinc/16/10/60/245161060.db2.gz XHYKZYPPYAFFJV-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418454065 245164959 /nfs/dbraw/zinc/16/49/59/245164959.db2.gz AQDGZXXEIZJZDT-RBUKOAKNSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418463038 245166522 /nfs/dbraw/zinc/16/65/22/245166522.db2.gz KQOSQYNUVLHWCV-HKUYNNGSSA-N 1 3 346.519 2.810 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000418552910 245192643 /nfs/dbraw/zinc/19/26/43/245192643.db2.gz LIAWSRHIPNCTAO-LJQANCHMSA-N 1 3 338.455 2.569 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418562604 245194308 /nfs/dbraw/zinc/19/43/08/245194308.db2.gz GMOGAUNCOFCBIT-QRVBRYPASA-N 1 3 344.503 2.562 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418570020 245197853 /nfs/dbraw/zinc/19/78/53/245197853.db2.gz CREFYDYHVSJEAZ-ROUUACIJSA-N 1 3 332.492 2.550 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418634364 245219812 /nfs/dbraw/zinc/21/98/12/245219812.db2.gz JIBLHQJKGXMKPK-LJQANCHMSA-N 1 3 346.519 2.637 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](N)c2ccccc2CC)CC1 ZINC000418656471 245230736 /nfs/dbraw/zinc/23/07/36/245230736.db2.gz SMGNKOFHZCBDAG-IBGZPJMESA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000418656862 245231211 /nfs/dbraw/zinc/23/12/11/245231211.db2.gz SYBIJQRFNVPNSE-YQVWRLOYSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000418656862 245231218 /nfs/dbraw/zinc/23/12/18/245231218.db2.gz SYBIJQRFNVPNSE-YQVWRLOYSA-N 1 3 344.503 2.517 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418700379 245250097 /nfs/dbraw/zinc/25/00/97/245250097.db2.gz JKNAQKMPOXXYRZ-ZHALLVOQSA-N 1 3 346.519 2.808 20 0 EFADHO CCCN(C(=O)NC[C@H]([NH3+])CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418704939 245252568 /nfs/dbraw/zinc/25/25/68/245252568.db2.gz DEKXDAMCDGJCDK-MOPGFXCFSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418717737 245258468 /nfs/dbraw/zinc/25/84/68/245258468.db2.gz ZUAOKPMVNXJXHN-INIZCTEOSA-N 1 3 326.529 2.657 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418721530 245260220 /nfs/dbraw/zinc/26/02/20/245260220.db2.gz MGCZHGMWPAUNCE-ZWKOTPCHSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418680241 245242299 /nfs/dbraw/zinc/24/22/99/245242299.db2.gz UJEXKAKTDFGRAI-GOSISDBHSA-N 1 3 332.492 2.592 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418777030 245287315 /nfs/dbraw/zinc/28/73/15/245287315.db2.gz UXVPJADVJIOLFX-SFHVURJKSA-N 1 3 346.519 2.728 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(C3CC3)cc2)CC1 ZINC000419359181 245388326 /nfs/dbraw/zinc/38/83/26/245388326.db2.gz RBVRITLGAQCRQM-HNNXBMFYSA-N 1 3 329.488 2.815 20 0 EFADHO C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)[C@H]1C ZINC000419368661 245392638 /nfs/dbraw/zinc/39/26/38/245392638.db2.gz GGSDJWXIISLHTA-SQNIBIBYSA-N 1 3 343.515 2.875 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000111240451 220122831 /nfs/dbraw/zinc/12/28/31/220122831.db2.gz ZFTNLUNDKZHNOT-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000111240451 220122833 /nfs/dbraw/zinc/12/28/33/220122833.db2.gz ZFTNLUNDKZHNOT-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000363569638 296208022 /nfs/dbraw/zinc/20/80/22/296208022.db2.gz PQQOKCAGSWVTAW-LJQANCHMSA-N 1 3 327.472 2.593 20 0 EFADHO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421354607 245940191 /nfs/dbraw/zinc/94/01/91/245940191.db2.gz WVOOLRQJHAJBIH-GUDVDZBRSA-N 1 3 341.499 2.532 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)CC1=O ZINC000421353383 245940714 /nfs/dbraw/zinc/94/07/14/245940714.db2.gz PKSNMPRSAIOYFS-JENIJYKNSA-N 1 3 335.536 2.878 20 0 EFADHO COC1([C@H](C)NCc2ccncc2OCCC[NH+](C)C)CCCC1 ZINC000421848948 246137414 /nfs/dbraw/zinc/13/74/14/246137414.db2.gz BDEXSEBUYDFWDK-INIZCTEOSA-N 1 3 335.492 2.849 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000422154734 246274196 /nfs/dbraw/zinc/27/41/96/246274196.db2.gz CVJUBLNBJCSEEY-FUHWJXTLSA-N 1 3 346.519 2.851 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000422245688 246317103 /nfs/dbraw/zinc/31/71/03/246317103.db2.gz PSEKSNKHHVOFBW-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)cc2)no1 ZINC000422562280 246386428 /nfs/dbraw/zinc/38/64/28/246386428.db2.gz PUIXYXYCHHFOBB-ZQIUZPCESA-N 1 3 344.459 2.762 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000422724208 246428931 /nfs/dbraw/zinc/42/89/31/246428931.db2.gz UXXFNNNDMDAQPW-CWFSZBLJSA-N 1 3 341.455 2.503 20 0 EFADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422786915 246459202 /nfs/dbraw/zinc/45/92/02/246459202.db2.gz TZEMMPBAOVCGAC-HSALFYBXSA-N 1 3 343.515 2.831 20 0 EFADHO Cc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422898900 246505488 /nfs/dbraw/zinc/50/54/88/246505488.db2.gz NFBKVRJPUOCVIX-VAMGGRTRSA-N 1 3 332.488 2.901 20 0 EFADHO COc1cc(NCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000423008280 246542417 /nfs/dbraw/zinc/54/24/17/246542417.db2.gz ZRCQSIRKTVANMI-ZDUSSCGKSA-N 1 3 344.459 2.629 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000423328256 246622815 /nfs/dbraw/zinc/62/28/15/246622815.db2.gz NXYLMIJKWGJSLG-HNNXBMFYSA-N 1 3 347.528 2.798 20 0 EFADHO Cc1ccc2cc([C@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc2c1 ZINC000426051082 247230626 /nfs/dbraw/zinc/23/06/26/247230626.db2.gz NWTXIECZQBCTCB-RDJZCZTQSA-N 1 3 343.471 2.979 20 0 EFADHO O=C(CN1CC[C@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426456246 247281037 /nfs/dbraw/zinc/28/10/37/247281037.db2.gz VGTQOMPCUQPQCV-UXHICEINSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000427270344 247333541 /nfs/dbraw/zinc/33/35/41/247333541.db2.gz STGJIONJJNHVEH-AOIWGVFYSA-N 1 3 329.488 2.545 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000427312971 247336541 /nfs/dbraw/zinc/33/65/41/247336541.db2.gz KWQHQVSEQOVISA-PKOBYXMFSA-N 1 3 331.504 2.748 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000427318898 247337566 /nfs/dbraw/zinc/33/75/66/247337566.db2.gz FQSGTEMYBNQSGK-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427333481 247339301 /nfs/dbraw/zinc/33/93/01/247339301.db2.gz ZTAXWDXEUBSQDZ-GGPKGHCWSA-N 1 3 343.515 2.793 20 0 EFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426988388 247306699 /nfs/dbraw/zinc/30/66/99/247306699.db2.gz AETPIBPYCPROHK-RBUKOAKNSA-N 1 3 343.515 2.713 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265657354 247682178 /nfs/dbraw/zinc/68/21/78/247682178.db2.gz PYBJXQULLYCXOS-CEKAGXKUSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434331537 248142376 /nfs/dbraw/zinc/14/23/76/248142376.db2.gz BSEGIUHEPSCYRN-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434331536 248142435 /nfs/dbraw/zinc/14/24/35/248142435.db2.gz BSEGIUHEPSCYRN-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434354859 248145032 /nfs/dbraw/zinc/14/50/32/248145032.db2.gz LBDQZUXBSZUBSJ-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434354859 248145034 /nfs/dbraw/zinc/14/50/34/248145034.db2.gz LBDQZUXBSZUBSJ-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000434421548 248152167 /nfs/dbraw/zinc/15/21/67/248152167.db2.gz WWCDATAJUBTWTF-VQIMIIECSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000434421548 248152170 /nfs/dbraw/zinc/15/21/70/248152170.db2.gz WWCDATAJUBTWTF-VQIMIIECSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000433959747 248107802 /nfs/dbraw/zinc/10/78/02/248107802.db2.gz VUUUQLBGJANXQS-MOPGFXCFSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000433959747 248107804 /nfs/dbraw/zinc/10/78/04/248107804.db2.gz VUUUQLBGJANXQS-MOPGFXCFSA-N 1 3 344.503 2.605 20 0 EFADHO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC(C[NH3+])CC1 ZINC000435395147 248234947 /nfs/dbraw/zinc/23/49/47/248234947.db2.gz ODLRLWLKHUSNBE-UHFFFAOYSA-N 1 3 334.414 2.938 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000091510511 218015423 /nfs/dbraw/zinc/01/54/23/218015423.db2.gz DMJMNKNTDOSQQI-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000091510511 218015425 /nfs/dbraw/zinc/01/54/25/218015425.db2.gz DMJMNKNTDOSQQI-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201599 296281635 /nfs/dbraw/zinc/28/16/35/296281635.db2.gz SRDXMBVGIJYRGP-QZTJIDSGSA-N 1 3 337.552 2.587 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(-c3ccncc3)c2)CC1(C)C ZINC000441347725 250021901 /nfs/dbraw/zinc/02/19/01/250021901.db2.gz PWJNLOZNMARMDV-UHFFFAOYSA-N 1 3 338.499 2.864 20 0 EFADHO CCOc1c(OC)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253872 218130725 /nfs/dbraw/zinc/13/07/25/218130725.db2.gz GSIVACOGXPTAET-HNNXBMFYSA-N 1 3 336.476 2.876 20 0 EFADHO CCOc1c(OC)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253872 218130727 /nfs/dbraw/zinc/13/07/27/218130727.db2.gz GSIVACOGXPTAET-HNNXBMFYSA-N 1 3 336.476 2.876 20 0 EFADHO CCCCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820885 218171654 /nfs/dbraw/zinc/17/16/54/218171654.db2.gz NNJFUGZWJWMORM-KRWDZBQOSA-N 1 3 346.519 2.925 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCCCC1 ZINC000092821232 218171987 /nfs/dbraw/zinc/17/19/87/218171987.db2.gz BXPKOAHTEVLUKR-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO CC(C)N(C)C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821594 218172150 /nfs/dbraw/zinc/17/21/50/218172150.db2.gz MZHAWYFEMIMLGX-KRWDZBQOSA-N 1 3 346.519 2.875 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000442619914 250091117 /nfs/dbraw/zinc/09/11/17/250091117.db2.gz MMNIIAZMOHNZMQ-AEFFLSMTSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442754288 250112535 /nfs/dbraw/zinc/11/25/35/250112535.db2.gz HZAGAULMYDORAN-ZIAGYGMSSA-N 1 3 332.423 2.786 20 0 EFADHO Cc1c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cnn1C(C)(C)C ZINC000442872640 250133517 /nfs/dbraw/zinc/13/35/17/250133517.db2.gz JXSBMYDSXIFWIH-HNNXBMFYSA-N 1 3 335.540 2.623 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443053811 250153608 /nfs/dbraw/zinc/15/36/08/250153608.db2.gz BOITWDRWDZVFKO-GOSISDBHSA-N 1 3 331.504 2.794 20 0 EFADHO CC(C)C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058548 250154834 /nfs/dbraw/zinc/15/48/34/250154834.db2.gz KQWPPCWKXAZPND-IEBWSBKVSA-N 1 3 331.504 2.951 20 0 EFADHO CC[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443062011 250154896 /nfs/dbraw/zinc/15/48/96/250154896.db2.gz SZSRTOOGBNZKEO-RHSMWYFYSA-N 1 3 337.895 2.968 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443061662 250155105 /nfs/dbraw/zinc/15/51/05/250155105.db2.gz SANZYHSNMMVQAU-DLBZAZTESA-N 1 3 343.515 2.803 20 0 EFADHO CC(C)C[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058550 250155273 /nfs/dbraw/zinc/15/52/73/250155273.db2.gz KQWPPCWKXAZPND-PKOBYXMFSA-N 1 3 331.504 2.951 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443066106 250156658 /nfs/dbraw/zinc/15/66/58/250156658.db2.gz DJZITMAMWCEQAP-XYJFISCASA-N 1 3 331.504 2.876 20 0 EFADHO CCN(C(=O)CN1CCC[C@H](CC[NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000443072003 250157285 /nfs/dbraw/zinc/15/72/85/250157285.db2.gz NGCISCUDMODHKV-JKSUJKDBSA-N 1 3 335.467 2.796 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443065181 250157553 /nfs/dbraw/zinc/15/75/53/250157553.db2.gz ZMIOVOSUVQMWPH-HUUCEWRRSA-N 1 3 337.895 2.920 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443065173 250157803 /nfs/dbraw/zinc/15/78/03/250157803.db2.gz ZMIOVOSUVQMWPH-CABCVRRESA-N 1 3 337.895 2.920 20 0 EFADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077115 250158652 /nfs/dbraw/zinc/15/86/52/250158652.db2.gz UBWPRMNZEFSMPT-MJGOQNOKSA-N 1 3 343.515 2.875 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(C(F)(F)F)s1 ZINC000443981243 250243204 /nfs/dbraw/zinc/24/32/04/250243204.db2.gz ANXUSGDWYHYIOZ-JTQLQIEISA-N 1 3 325.400 2.608 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000444309202 250286186 /nfs/dbraw/zinc/28/61/86/250286186.db2.gz BGQWRCXGMLESIQ-KLBVCGFUSA-N 1 3 343.515 2.884 20 0 EFADHO CC(C)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000444752043 250342225 /nfs/dbraw/zinc/34/22/25/250342225.db2.gz GXKSCFMSMLFBLV-MOPGFXCFSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000444752043 250342230 /nfs/dbraw/zinc/34/22/30/250342230.db2.gz GXKSCFMSMLFBLV-MOPGFXCFSA-N 1 3 331.504 2.774 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000444845244 250355932 /nfs/dbraw/zinc/35/59/32/250355932.db2.gz FQUBZTDRXOKILB-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)NCCN2CCCC(C)(C)C2)cc1 ZINC000444885104 250362594 /nfs/dbraw/zinc/36/25/94/250362594.db2.gz MUHORLNFBZOVSM-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000449396156 251012433 /nfs/dbraw/zinc/01/24/33/251012433.db2.gz RRNXVYCGNYQASH-FQEVSTJZSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@](C)(COC)C2)CC1 ZINC000449396156 251012438 /nfs/dbraw/zinc/01/24/38/251012438.db2.gz RRNXVYCGNYQASH-FQEVSTJZSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000449499875 251044903 /nfs/dbraw/zinc/04/49/03/251044903.db2.gz MLPNZXRJIGLVEP-PXNSSMCTSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000449499875 251044905 /nfs/dbraw/zinc/04/49/05/251044905.db2.gz MLPNZXRJIGLVEP-PXNSSMCTSA-N 1 3 331.504 2.685 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449657702 251100346 /nfs/dbraw/zinc/10/03/46/251100346.db2.gz QJNIZLXFVVACAU-KURKYZTESA-N 1 3 334.508 2.844 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267637168 251214065 /nfs/dbraw/zinc/21/40/65/251214065.db2.gz YOOODOLVYUFELL-KCLUMXDGSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000267843003 251398402 /nfs/dbraw/zinc/39/84/02/251398402.db2.gz ACZZODITNALOAV-MAUKXSAKSA-N 1 3 327.472 2.637 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000267843005 251398416 /nfs/dbraw/zinc/39/84/16/251398416.db2.gz ACZZODITNALOAV-YJBOKZPZSA-N 1 3 327.472 2.637 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(CN)nc1C)CCC(F)(F)F ZINC000423078047 284960074 /nfs/dbraw/zinc/96/00/74/284960074.db2.gz NNDAAFWGXKLIFF-LBPRGKRZSA-N 1 3 332.414 2.774 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000358300616 296329459 /nfs/dbraw/zinc/32/94/59/296329459.db2.gz LUTBIDFXBWEVBB-RSPOEFSDSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000358300616 296329460 /nfs/dbraw/zinc/32/94/60/296329460.db2.gz LUTBIDFXBWEVBB-RSPOEFSDSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268538519 252005821 /nfs/dbraw/zinc/00/58/21/252005821.db2.gz KFWTWRDUNULYOE-KRWDZBQOSA-N 1 3 345.487 2.712 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268538519 252005822 /nfs/dbraw/zinc/00/58/22/252005822.db2.gz KFWTWRDUNULYOE-KRWDZBQOSA-N 1 3 345.487 2.712 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000268536370 252003641 /nfs/dbraw/zinc/00/36/41/252003641.db2.gz JSONWNVAERWYTM-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO Fc1ccc(CCN2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000268710897 252161066 /nfs/dbraw/zinc/16/10/66/252161066.db2.gz DQPPGSYTULQBMV-UHFFFAOYSA-N 1 3 333.495 2.908 20 0 EFADHO CO[C@H](C)[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000268726333 252176059 /nfs/dbraw/zinc/17/60/59/252176059.db2.gz AVEJTVHTQNLSTH-RTBURBONSA-N 1 3 333.520 2.910 20 0 EFADHO CO[C@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000268726331 252176247 /nfs/dbraw/zinc/17/62/47/252176247.db2.gz AVEJTVHTQNLSTH-RBUKOAKNSA-N 1 3 333.520 2.910 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000454314761 252211169 /nfs/dbraw/zinc/21/11/69/252211169.db2.gz NLXCBMIATJJQRD-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N(C)C ZINC000454314761 252211173 /nfs/dbraw/zinc/21/11/73/252211173.db2.gz NLXCBMIATJJQRD-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268796681 252249339 /nfs/dbraw/zinc/24/93/39/252249339.db2.gz GETWZCHXIGSVEW-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO COCCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000268800167 252253119 /nfs/dbraw/zinc/25/31/19/252253119.db2.gz HFHKHICKDYRDCK-ICSRJNTNSA-N 1 3 333.520 2.597 20 0 EFADHO C[C@H](CC(C)(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454451880 252267916 /nfs/dbraw/zinc/26/79/16/252267916.db2.gz JHBLMYOQEBUJGW-OAHLLOKOSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268818354 252268637 /nfs/dbraw/zinc/26/86/37/252268637.db2.gz QVHHREGPVIBAAG-LNLFQRSKSA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268818354 252268642 /nfs/dbraw/zinc/26/86/42/252268642.db2.gz QVHHREGPVIBAAG-LNLFQRSKSA-N 1 3 331.504 2.934 20 0 EFADHO CCn1cc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cn1 ZINC000268836286 252284816 /nfs/dbraw/zinc/28/48/16/252284816.db2.gz BGJFOFAVSPBYEO-MRXNPFEDSA-N 1 3 330.476 2.737 20 0 EFADHO C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000268852431 252299735 /nfs/dbraw/zinc/29/97/35/252299735.db2.gz QDIMVACZZHBONR-ONGXBYRLSA-N 1 3 340.467 2.936 20 0 EFADHO C[C@H](OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786993 299555203 /nfs/dbraw/zinc/55/52/03/299555203.db2.gz POZLNJVYCHSOBV-OJAHFUOMSA-N 1 3 332.488 2.901 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1)C1CC1 ZINC000343549816 285097923 /nfs/dbraw/zinc/09/79/23/285097923.db2.gz URGXUIDOUWJTRS-OAQYLSRUSA-N 1 3 341.499 2.887 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000092407689 285118433 /nfs/dbraw/zinc/11/84/33/285118433.db2.gz YQKPYCYBWFJAQC-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000092407689 285118435 /nfs/dbraw/zinc/11/84/35/285118435.db2.gz YQKPYCYBWFJAQC-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](CC)C[C@H]2CCCO2)CC1 ZINC000092407690 285118456 /nfs/dbraw/zinc/11/84/56/285118456.db2.gz YQKPYCYBWFJAQC-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](CC)C[C@H]2CCCO2)CC1 ZINC000092407690 285118457 /nfs/dbraw/zinc/11/84/57/285118457.db2.gz YQKPYCYBWFJAQC-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000097428380 219023658 /nfs/dbraw/zinc/02/36/58/219023658.db2.gz FXDLJJCWERDUDP-QZTJIDSGSA-N 1 3 340.556 2.584 20 0 EFADHO COc1cc([C@@H](C)[NH2+]CCCN2CCCCC2)ccc1OCCO ZINC000162316010 533114753 /nfs/dbraw/zinc/11/47/53/533114753.db2.gz RMQJJBODURJHDP-MRXNPFEDSA-N 1 3 336.476 2.593 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000153735128 224149315 /nfs/dbraw/zinc/14/93/15/224149315.db2.gz QDBFWKHZMGHADO-HNNXBMFYSA-N 1 3 348.491 2.589 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000153735128 224149316 /nfs/dbraw/zinc/14/93/16/224149316.db2.gz QDBFWKHZMGHADO-HNNXBMFYSA-N 1 3 348.491 2.589 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247254130 285196257 /nfs/dbraw/zinc/19/62/57/285196257.db2.gz AOPHFTAIUPZDNM-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000341605443 285198355 /nfs/dbraw/zinc/19/83/55/285198355.db2.gz KCRGZLSUKQPPKD-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913784 285229374 /nfs/dbraw/zinc/22/93/74/285229374.db2.gz BNHQATNDJRAMBI-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913784 285229375 /nfs/dbraw/zinc/22/93/75/285229375.db2.gz BNHQATNDJRAMBI-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1 ZINC000344818398 285246059 /nfs/dbraw/zinc/24/60/59/285246059.db2.gz YXQNVJFBRPHMCP-PKOBYXMFSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1 ZINC000344818398 285246061 /nfs/dbraw/zinc/24/60/61/285246061.db2.gz YXQNVJFBRPHMCP-PKOBYXMFSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(C)c1 ZINC000346616835 285249342 /nfs/dbraw/zinc/24/93/42/285249342.db2.gz FOSPGQKGTLWBDA-LJQANCHMSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(C)c1 ZINC000346616835 285249344 /nfs/dbraw/zinc/24/93/44/285249344.db2.gz FOSPGQKGTLWBDA-LJQANCHMSA-N 1 3 331.504 2.792 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613224 285290706 /nfs/dbraw/zinc/29/07/06/285290706.db2.gz JJQJJQWKMRUTAY-MSOLQXFVSA-N 1 3 334.508 2.858 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613224 285290711 /nfs/dbraw/zinc/29/07/11/285290711.db2.gz JJQJJQWKMRUTAY-MSOLQXFVSA-N 1 3 334.508 2.858 20 0 EFADHO Cc1ccc(C[C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1C ZINC000459598681 255906470 /nfs/dbraw/zinc/90/64/70/255906470.db2.gz PXRVTAONTWXLSU-HXUWFJFHSA-N 1 3 339.483 2.860 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000459792519 255934668 /nfs/dbraw/zinc/93/46/68/255934668.db2.gz SFKNWJIBRFYFHR-VQTJNVASSA-N 1 3 343.515 2.876 20 0 EFADHO CC(C)C[C@H](CNC(=O)N(C)CCN(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000468015891 256013646 /nfs/dbraw/zinc/01/36/46/256013646.db2.gz HBXHEGURWLTVMW-PKOBYXMFSA-N 1 3 348.535 2.955 20 0 EFADHO CC[C@H](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000466157790 256001002 /nfs/dbraw/zinc/00/10/02/256001002.db2.gz AJXTXYQMEPRYNP-KSZLIROESA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000466157790 256001003 /nfs/dbraw/zinc/00/10/03/256001003.db2.gz AJXTXYQMEPRYNP-KSZLIROESA-N 1 3 340.556 2.869 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000118494296 221153767 /nfs/dbraw/zinc/15/37/67/221153767.db2.gz UKONRKLLGXLUBC-XHSDSOJGSA-N 1 3 333.476 2.827 20 0 EFADHO COC[C@@]1(C[NH2+]C2CCN(C(C)(C)C)CC2)OCCc2ccccc21 ZINC000377748922 285324951 /nfs/dbraw/zinc/32/49/51/285324951.db2.gz IYPPWGRWSYXRQK-OAQYLSRUSA-N 1 3 346.515 2.954 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000119642192 221366282 /nfs/dbraw/zinc/36/62/82/221366282.db2.gz QTCPXCHFTCOAMW-CQSZACIVSA-N 1 3 329.444 2.921 20 0 EFADHO C[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098511 224358647 /nfs/dbraw/zinc/35/86/47/224358647.db2.gz SGIBKSMAPPBPHB-RCLSDMTESA-N 1 3 344.547 2.515 20 0 EFADHO C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098511 224358649 /nfs/dbraw/zinc/35/86/49/224358649.db2.gz SGIBKSMAPPBPHB-RCLSDMTESA-N 1 3 344.547 2.515 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C[C@H]1C ZINC000361767020 285388172 /nfs/dbraw/zinc/38/81/72/285388172.db2.gz AURZYTXZFBAPIJ-KURKYZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C[C@H]1C ZINC000361767020 285388173 /nfs/dbraw/zinc/38/81/73/285388173.db2.gz AURZYTXZFBAPIJ-KURKYZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C[C@H]1C ZINC000361766832 285389975 /nfs/dbraw/zinc/38/99/75/285389975.db2.gz UVDBZBBAIKBDGV-TVFCKZIOSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C[C@H]1C ZINC000361766832 285389976 /nfs/dbraw/zinc/38/99/76/285389976.db2.gz UVDBZBBAIKBDGV-TVFCKZIOSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698710 533378101 /nfs/dbraw/zinc/37/81/01/533378101.db2.gz KLEMUXAKKICFAE-GOSISDBHSA-N 1 3 341.503 2.673 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515691 533601719 /nfs/dbraw/zinc/60/17/19/533601719.db2.gz MHZPWBDHWBCVEH-RYQLBKOJSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515691 533601725 /nfs/dbraw/zinc/60/17/25/533601725.db2.gz MHZPWBDHWBCVEH-RYQLBKOJSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166418369 533605139 /nfs/dbraw/zinc/60/51/39/533605139.db2.gz ASFHEWUHBKNISJ-GOSISDBHSA-N 1 3 349.544 2.759 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000164585325 533645528 /nfs/dbraw/zinc/64/55/28/533645528.db2.gz XIPZEZPWPAANMR-YJBOKZPZSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164585325 533645533 /nfs/dbraw/zinc/64/55/33/533645533.db2.gz XIPZEZPWPAANMR-YJBOKZPZSA-N 1 3 349.544 2.758 20 0 EFADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)c(OC)c1 ZINC000298264617 132388426 /nfs/dbraw/zinc/38/84/26/132388426.db2.gz FZBOPPFVEQDVIZ-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO CC(C)COCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337247668 141557106 /nfs/dbraw/zinc/55/71/06/141557106.db2.gz KIWRYJNGMBKEMQ-HDICACEKSA-N 1 3 326.525 2.870 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1C1CC1 ZINC000343515423 142010649 /nfs/dbraw/zinc/01/06/49/142010649.db2.gz LAKJCIPLLGSPHV-CRAIPNDOSA-N 1 3 341.499 2.584 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344721238 142067029 /nfs/dbraw/zinc/06/70/29/142067029.db2.gz RPYSLUXLPPDXGD-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344721238 142067030 /nfs/dbraw/zinc/06/70/30/142067030.db2.gz RPYSLUXLPPDXGD-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000344803334 142080819 /nfs/dbraw/zinc/08/08/19/142080819.db2.gz CEGMPFZBGOFOJZ-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000344803935 142081317 /nfs/dbraw/zinc/08/13/17/142081317.db2.gz CEGMPFZBGOFOJZ-RCCFBDPRSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C(C)C ZINC000346012891 142133197 /nfs/dbraw/zinc/13/31/97/142133197.db2.gz HPKXLRZGANOIOQ-LJQANCHMSA-N 1 3 348.535 2.782 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C(C)C ZINC000346012891 142133198 /nfs/dbraw/zinc/13/31/98/142133198.db2.gz HPKXLRZGANOIOQ-LJQANCHMSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233002 142172676 /nfs/dbraw/zinc/17/26/76/142172676.db2.gz VNSYHYMQQZFPQL-FCEWJHQRSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233002 142172677 /nfs/dbraw/zinc/17/26/77/142172677.db2.gz VNSYHYMQQZFPQL-FCEWJHQRSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000346291858 142184477 /nfs/dbraw/zinc/18/44/77/142184477.db2.gz QYNSSQRIMRNSNS-HOJAQTOUSA-N 1 3 343.515 2.703 20 0 EFADHO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000346324775 142189755 /nfs/dbraw/zinc/18/97/55/142189755.db2.gz JKGJKKVNHLBRMQ-QGZVFWFLSA-N 1 3 347.503 2.602 20 0 EFADHO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000346324775 142189756 /nfs/dbraw/zinc/18/97/56/142189756.db2.gz JKGJKKVNHLBRMQ-QGZVFWFLSA-N 1 3 347.503 2.602 20 0 EFADHO C[C@H](CCNC(=O)c1ccc2c(c1)CNC2)[N@H+](C)Cc1ccccc1 ZINC000347543787 142233049 /nfs/dbraw/zinc/23/30/49/142233049.db2.gz ZAWZQUJFBROGBR-MRXNPFEDSA-N 1 3 337.467 2.930 20 0 EFADHO C[C@H](CCNC(=O)c1ccc2c(c1)CNC2)[N@@H+](C)Cc1ccccc1 ZINC000347543787 142233050 /nfs/dbraw/zinc/23/30/50/142233050.db2.gz ZAWZQUJFBROGBR-MRXNPFEDSA-N 1 3 337.467 2.930 20 0 EFADHO CCc1cc(CCC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)on1 ZINC000347747086 142265701 /nfs/dbraw/zinc/26/57/01/142265701.db2.gz KCXUCYNDMLCNHJ-IRXDYDNUSA-N 1 3 349.519 2.991 20 0 EFADHO c1ccc2c(c1)CC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000347902787 142290153 /nfs/dbraw/zinc/29/01/53/142290153.db2.gz GPJUMKBNRJSTFM-NRFANRHFSA-N 1 3 336.483 2.871 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000347930029 142295136 /nfs/dbraw/zinc/29/51/36/142295136.db2.gz KBKIBWNYONAVEP-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347930029 142295137 /nfs/dbraw/zinc/29/51/37/142295137.db2.gz KBKIBWNYONAVEP-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1)C1CC1 ZINC000347941048 142297237 /nfs/dbraw/zinc/29/72/37/142297237.db2.gz GUEBBMFNLSFVLL-HXUWFJFHSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1)C1CC1 ZINC000347941048 142297238 /nfs/dbraw/zinc/29/72/38/142297238.db2.gz GUEBBMFNLSFVLL-HXUWFJFHSA-N 1 3 341.499 2.837 20 0 EFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cnc(C2CCCC2)s1 ZINC000349330145 142322054 /nfs/dbraw/zinc/32/20/54/142322054.db2.gz JAWNVZUSNLOPHX-UHFFFAOYSA-N 1 3 336.549 2.870 20 0 EFADHO CC[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000349452626 142331086 /nfs/dbraw/zinc/33/10/86/142331086.db2.gz KDJAEHOPVWLBPK-GOSISDBHSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000349593466 142339808 /nfs/dbraw/zinc/33/98/08/142339808.db2.gz ZWZMZYNVTWKZMU-QFBILLFUSA-N 1 3 344.503 2.516 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000349732270 142353097 /nfs/dbraw/zinc/35/30/97/142353097.db2.gz FVWOWNVRNBQJHL-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@H]2NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349827588 142364667 /nfs/dbraw/zinc/36/46/67/142364667.db2.gz JOTTWVCLSVBUOX-IEBWSBKVSA-N 1 3 343.515 2.858 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@H]2NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349827588 142364669 /nfs/dbraw/zinc/36/46/69/142364669.db2.gz JOTTWVCLSVBUOX-IEBWSBKVSA-N 1 3 343.515 2.858 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N(C)C ZINC000349933689 142380373 /nfs/dbraw/zinc/38/03/73/142380373.db2.gz IQYOSCIWXXPKJS-APWZRJJASA-N 1 3 347.503 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N(C)C ZINC000349933689 142380374 /nfs/dbraw/zinc/38/03/74/142380374.db2.gz IQYOSCIWXXPKJS-APWZRJJASA-N 1 3 347.503 2.932 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000341185936 145008423 /nfs/dbraw/zinc/00/84/23/145008423.db2.gz BYFDEQPQVMQOCG-IEBWSBKVSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000341185936 145008424 /nfs/dbraw/zinc/00/84/24/145008424.db2.gz BYFDEQPQVMQOCG-IEBWSBKVSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000341185940 145008506 /nfs/dbraw/zinc/00/85/06/145008506.db2.gz BYFDEQPQVMQOCG-PKOBYXMFSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000341185940 145008508 /nfs/dbraw/zinc/00/85/08/145008508.db2.gz BYFDEQPQVMQOCG-PKOBYXMFSA-N 1 3 346.519 2.551 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000341271613 145024077 /nfs/dbraw/zinc/02/40/77/145024077.db2.gz OMRNWRIZOZTOKX-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000341271613 145024079 /nfs/dbraw/zinc/02/40/79/145024079.db2.gz OMRNWRIZOZTOKX-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc(Cl)cc3F)C[C@@H]21 ZINC000342100364 145062235 /nfs/dbraw/zinc/06/22/35/145062235.db2.gz JXPBCFPZDGWCAP-CORIIIEPSA-N 1 3 339.842 2.867 20 0 EFADHO CCC1CC([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000342691477 145173463 /nfs/dbraw/zinc/17/34/63/145173463.db2.gz UIBARUACMRJBLU-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000342693894 145173489 /nfs/dbraw/zinc/17/34/89/145173489.db2.gz FBTMOISCENEQQI-UHOSZYNNSA-N 1 3 329.488 2.545 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342712518 145177654 /nfs/dbraw/zinc/17/76/54/145177654.db2.gz SJNGDLLLXVJFCR-IBGZPJMESA-N 1 3 343.515 2.833 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000342716324 145178651 /nfs/dbraw/zinc/17/86/51/145178651.db2.gz COVDFZSXXUCVTO-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@]1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000342715977 145178840 /nfs/dbraw/zinc/17/88/40/145178840.db2.gz DVTZQHLFZFMHJG-YLJYHZDGSA-N 1 3 347.478 2.544 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343789854 145295272 /nfs/dbraw/zinc/29/52/72/145295272.db2.gz BPRLEEBDDKYMKO-YYIAUSFCSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343789854 145295275 /nfs/dbraw/zinc/29/52/75/145295275.db2.gz BPRLEEBDDKYMKO-YYIAUSFCSA-N 1 3 338.540 2.525 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@H]1C)CC(C)C ZINC000343883575 145316623 /nfs/dbraw/zinc/31/66/23/145316623.db2.gz YWAXZOYZPUPAHN-ULQDDVLXSA-N 1 3 326.529 2.525 20 0 EFADHO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000343895104 145319204 /nfs/dbraw/zinc/31/92/04/145319204.db2.gz KKVPAFDNBVBNSJ-DYESRHJHSA-N 1 3 345.531 2.837 20 0 EFADHO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000343895106 145319294 /nfs/dbraw/zinc/31/92/94/145319294.db2.gz KKVPAFDNBVBNSJ-UTKZUKDTSA-N 1 3 345.531 2.837 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343922873 145325333 /nfs/dbraw/zinc/32/53/33/145325333.db2.gz LIOFSVZJCXFHHC-FYQPLNBISA-N 1 3 337.552 2.540 20 0 EFADHO C[C@H](Cc1ccccc1F)NCc1ccncc1OCC[NH+](C)C ZINC000343975244 145337052 /nfs/dbraw/zinc/33/70/52/145337052.db2.gz GXAPGDJEAVYWHC-OAHLLOKOSA-N 1 3 331.435 2.882 20 0 EFADHO COc1cc(Cl)ccc1CN(C)CCC[N@H+](C)CCN(C)C ZINC000344043115 145354197 /nfs/dbraw/zinc/35/41/97/145354197.db2.gz WQIXRWVPGREEFL-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO COc1cc(Cl)ccc1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000344043115 145354200 /nfs/dbraw/zinc/35/42/00/145354200.db2.gz WQIXRWVPGREEFL-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO COc1cc(Cl)ccc1CN(C)CCCN(C)CC[NH+](C)C ZINC000344043115 145354201 /nfs/dbraw/zinc/35/42/01/145354201.db2.gz WQIXRWVPGREEFL-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO CC(C)CO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344112593 145370626 /nfs/dbraw/zinc/37/06/26/145370626.db2.gz VCVSBPOHNPRTEB-FGTMMUONSA-N 1 3 326.525 2.509 20 0 EFADHO CC(C)CO[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344114385 145371561 /nfs/dbraw/zinc/37/15/61/145371561.db2.gz VRSNTTZWSZJMHV-MOPGFXCFSA-N 1 3 349.519 2.951 20 0 EFADHO CC(C)CO[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344114389 145371653 /nfs/dbraw/zinc/37/16/53/145371653.db2.gz VRSNTTZWSZJMHV-RBUKOAKNSA-N 1 3 349.519 2.951 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000344121432 145373118 /nfs/dbraw/zinc/37/31/18/145373118.db2.gz CZZVIJATNQDKKO-QZTJIDSGSA-N 1 3 343.515 2.888 20 0 EFADHO CCN(Cc1cc(C(=O)OC)n(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349007562 146036511 /nfs/dbraw/zinc/03/65/11/146036511.db2.gz NRYSQYSSDLQBRK-UHFFFAOYSA-N 1 3 343.471 2.895 20 0 EFADHO COc1ccc([C@H](C)CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000349062713 146045515 /nfs/dbraw/zinc/04/55/15/146045515.db2.gz NRVDLJMATVLNSO-QGZVFWFLSA-N 1 3 333.520 2.757 20 0 EFADHO COc1ccc([C@H](C)CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000349062713 146045516 /nfs/dbraw/zinc/04/55/16/146045516.db2.gz NRVDLJMATVLNSO-QGZVFWFLSA-N 1 3 333.520 2.757 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349071346 146047042 /nfs/dbraw/zinc/04/70/42/146047042.db2.gz FZJJVKIINVUOAM-OAHLLOKOSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349071346 146047043 /nfs/dbraw/zinc/04/70/43/146047043.db2.gz FZJJVKIINVUOAM-OAHLLOKOSA-N 1 3 343.437 2.952 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000349073828 146047325 /nfs/dbraw/zinc/04/73/25/146047325.db2.gz LITYOGGEKYRWRH-NHCUHLMSSA-N 1 3 327.516 2.750 20 0 EFADHO COc1cc2c(cc1CN1CC[C@@H](C3CC[NH+](C)CC3)C1)OCO2 ZINC000349126583 146056199 /nfs/dbraw/zinc/05/61/99/146056199.db2.gz GUPHUKTXKVXOFS-OAHLLOKOSA-N 1 3 332.444 2.588 20 0 EFADHO COc1cc2c(cc1CN1CC[C@H](C3CC[NH+](C)CC3)C1)OCO2 ZINC000349126582 146056828 /nfs/dbraw/zinc/05/68/28/146056828.db2.gz GUPHUKTXKVXOFS-HNNXBMFYSA-N 1 3 332.444 2.588 20 0 EFADHO CSc1cc(Br)ccc1CNCCOCC[NH+](C)C ZINC000349193421 146064205 /nfs/dbraw/zinc/06/42/05/146064205.db2.gz UPBOQMIODZGYKI-UHFFFAOYSA-N 1 3 347.322 2.839 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000351168338 146114594 /nfs/dbraw/zinc/11/45/94/146114594.db2.gz PTSYKKZEANAXAA-INIZCTEOSA-N 1 3 346.519 2.620 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000351488133 146130061 /nfs/dbraw/zinc/13/00/61/146130061.db2.gz DTZWLSFNBHDJBS-BYCMXARLSA-N 1 3 330.350 2.633 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]12 ZINC000351490135 146130194 /nfs/dbraw/zinc/13/01/94/146130194.db2.gz IFMIDPCTGJYQJC-BYCMXARLSA-N 1 3 341.377 2.703 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000351579915 146150911 /nfs/dbraw/zinc/15/09/11/146150911.db2.gz HMZKPZGOMPMPHI-AITUJVMLSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000351579915 146150915 /nfs/dbraw/zinc/15/09/15/146150915.db2.gz HMZKPZGOMPMPHI-AITUJVMLSA-N 1 3 344.503 2.604 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](CCOC)CC(C)C)CC1 ZINC000351602677 146156238 /nfs/dbraw/zinc/15/62/38/146156238.db2.gz PZXGNRBESLSKGY-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](CCOC)CC(C)C)CC1 ZINC000351602677 146156239 /nfs/dbraw/zinc/15/62/39/146156239.db2.gz PZXGNRBESLSKGY-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000352065371 146280411 /nfs/dbraw/zinc/28/04/11/146280411.db2.gz KNEJWKDFPDZTHR-INIZCTEOSA-N 1 3 325.522 2.805 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000352065372 146280690 /nfs/dbraw/zinc/28/06/90/146280690.db2.gz KNEJWKDFPDZTHR-MRXNPFEDSA-N 1 3 325.522 2.805 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352130703 146296302 /nfs/dbraw/zinc/29/63/02/146296302.db2.gz JQECABVKBDUJBW-GASCZTMLSA-N 1 3 328.451 2.996 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352130703 146296303 /nfs/dbraw/zinc/29/63/03/146296303.db2.gz JQECABVKBDUJBW-GASCZTMLSA-N 1 3 328.451 2.996 20 0 EFADHO CCCCNC(=O)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352827510 146326075 /nfs/dbraw/zinc/32/60/75/146326075.db2.gz VWDKLIQDRNPJTM-OAQYLSRUSA-N 1 3 343.515 2.891 20 0 EFADHO CCCCNC(=O)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352827510 146326078 /nfs/dbraw/zinc/32/60/78/146326078.db2.gz VWDKLIQDRNPJTM-OAQYLSRUSA-N 1 3 343.515 2.891 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cscc2C(F)(F)F)CC1 ZINC000352843465 146331569 /nfs/dbraw/zinc/33/15/69/146331569.db2.gz WSQKGPOGFUGQOF-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cscc2C(F)(F)F)CC1(C)C ZINC000352863678 146334337 /nfs/dbraw/zinc/33/43/37/146334337.db2.gz VYKCJSAVFYQLFH-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1)N(C)C ZINC000352901914 146345007 /nfs/dbraw/zinc/34/50/07/146345007.db2.gz MOJBTXDKRDXANA-BXWFABGCSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000352901914 146345008 /nfs/dbraw/zinc/34/50/08/146345008.db2.gz MOJBTXDKRDXANA-BXWFABGCSA-N 1 3 346.519 2.768 20 0 EFADHO COCc1ccccc1/C=C(/C)CNC1(CCO)CC[NH+](C)CC1 ZINC000352912357 146348022 /nfs/dbraw/zinc/34/80/22/146348022.db2.gz CCXANWFNEWDTSM-VKAVYKQESA-N 1 3 332.488 2.673 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000356182731 147170022 /nfs/dbraw/zinc/17/00/22/147170022.db2.gz YOUJAXGSLHKODB-JZXOWHBKSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000356182731 147170023 /nfs/dbraw/zinc/17/00/23/147170023.db2.gz YOUJAXGSLHKODB-JZXOWHBKSA-N 1 3 344.503 2.604 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000356216030 147177674 /nfs/dbraw/zinc/17/76/74/147177674.db2.gz JGHVFBLMVGQJJU-LJQANCHMSA-N 1 3 346.519 2.934 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCOC1 ZINC000356884214 147362693 /nfs/dbraw/zinc/36/26/93/147362693.db2.gz WHHOKHSLVZLECZ-VQIMIIECSA-N 1 3 332.488 2.548 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000356940089 147378275 /nfs/dbraw/zinc/37/82/75/147378275.db2.gz VBDVGQNMZYMFQN-AWEZNQCLSA-N 1 3 335.496 2.563 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359218705 148025979 /nfs/dbraw/zinc/02/59/79/148025979.db2.gz UHBQVHLVRGAPTP-UHFFFAOYSA-N 1 3 339.886 2.986 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000359226437 148029157 /nfs/dbraw/zinc/02/91/57/148029157.db2.gz VYHRCSZZJXXHOP-GOSISDBHSA-N 1 3 345.487 2.796 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359361422 148066009 /nfs/dbraw/zinc/06/60/09/148066009.db2.gz NIGPZWKWQYYMNM-GOSISDBHSA-N 1 3 344.503 2.563 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000359361422 148066010 /nfs/dbraw/zinc/06/60/10/148066010.db2.gz NIGPZWKWQYYMNM-GOSISDBHSA-N 1 3 344.503 2.563 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359372138 148069051 /nfs/dbraw/zinc/06/90/51/148069051.db2.gz FNINFZKLQOGWQS-PKOBYXMFSA-N 1 3 344.503 2.605 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000359620419 148142547 /nfs/dbraw/zinc/14/25/47/148142547.db2.gz MMMKNSFNVDBLSG-PMACEKPBSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000359666088 148157036 /nfs/dbraw/zinc/15/70/36/148157036.db2.gz VMAJBDBGCPWLDH-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000359666088 148157037 /nfs/dbraw/zinc/15/70/37/148157037.db2.gz VMAJBDBGCPWLDH-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C[C@@H](C)O1 ZINC000359666088 148157039 /nfs/dbraw/zinc/15/70/39/148157039.db2.gz VMAJBDBGCPWLDH-XKGFGPFHSA-N 1 3 345.531 2.726 20 0 EFADHO C[NH+]1CCC(O)(CNCc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000359731885 148174327 /nfs/dbraw/zinc/17/43/27/148174327.db2.gz BUZDCIYTBKZHNP-UHFFFAOYSA-N 1 3 336.382 2.771 20 0 EFADHO COCCN1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000359917918 148222496 /nfs/dbraw/zinc/22/24/96/148222496.db2.gz PCCNCSGQKLEACZ-GOSISDBHSA-N 1 3 335.492 2.507 20 0 EFADHO COCC[NH+]1CCC(NC[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000359917918 148222497 /nfs/dbraw/zinc/22/24/97/148222497.db2.gz PCCNCSGQKLEACZ-GOSISDBHSA-N 1 3 335.492 2.507 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000359943565 148230602 /nfs/dbraw/zinc/23/06/02/148230602.db2.gz QPHYMPIAJMBMFT-MUGJNUQGSA-N 1 3 339.568 2.833 20 0 EFADHO C[N@H+](CCOc1cc(F)cc(Br)c1)[C@@H](CN)C1CC1 ZINC000360000375 148245828 /nfs/dbraw/zinc/24/58/28/148245828.db2.gz KVGLOPIUMBECHD-AWEZNQCLSA-N 1 3 331.229 2.636 20 0 EFADHO C[N@@H+](CCOc1cc(F)cc(Br)c1)[C@@H](CN)C1CC1 ZINC000360000375 148245830 /nfs/dbraw/zinc/24/58/30/148245830.db2.gz KVGLOPIUMBECHD-AWEZNQCLSA-N 1 3 331.229 2.636 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010116 148248851 /nfs/dbraw/zinc/24/88/51/148248851.db2.gz DNQGSNMFGHFBDZ-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010116 148248853 /nfs/dbraw/zinc/24/88/53/148248853.db2.gz DNQGSNMFGHFBDZ-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO c1cc2c(cc1CCN1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000360014922 148250190 /nfs/dbraw/zinc/25/01/90/148250190.db2.gz FWXQXMLEFBGUOZ-PKOBYXMFSA-N 1 3 342.483 2.949 20 0 EFADHO c1cc2c(cc1CCN1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000360014922 148250193 /nfs/dbraw/zinc/25/01/93/148250193.db2.gz FWXQXMLEFBGUOZ-PKOBYXMFSA-N 1 3 342.483 2.949 20 0 EFADHO c1cc2c(cc1CCN1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000360014920 148250451 /nfs/dbraw/zinc/25/04/51/148250451.db2.gz FWXQXMLEFBGUOZ-IEBWSBKVSA-N 1 3 342.483 2.949 20 0 EFADHO c1cc2c(cc1CCN1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000360014920 148250453 /nfs/dbraw/zinc/25/04/53/148250453.db2.gz FWXQXMLEFBGUOZ-IEBWSBKVSA-N 1 3 342.483 2.949 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N[C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000360096245 148270318 /nfs/dbraw/zinc/27/03/18/148270318.db2.gz DGVGWDUAPOZSFS-IXDOHACOSA-N 1 3 343.581 2.544 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H](C)C1 ZINC000360339503 148335982 /nfs/dbraw/zinc/33/59/82/148335982.db2.gz UHYSCDQYNQIXTB-NEPXVJNWSA-N 1 3 331.504 2.820 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCCC2)[C@H](C)C1 ZINC000359860866 286063110 /nfs/dbraw/zinc/06/31/10/286063110.db2.gz YKDKADYTFABQMH-HSALFYBXSA-N 1 3 339.568 2.833 20 0 EFADHO c1ccc(C[N@H+]2CCC[C@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000364124040 149073819 /nfs/dbraw/zinc/07/38/19/149073819.db2.gz ZZDMMJSLLXHIHZ-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CCC[C@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000364124040 149073822 /nfs/dbraw/zinc/07/38/22/149073822.db2.gz ZZDMMJSLLXHIHZ-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737967 149231290 /nfs/dbraw/zinc/23/12/90/149231290.db2.gz GMPGBDRVYIKMQN-PMACEKPBSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737967 149231292 /nfs/dbraw/zinc/23/12/92/149231292.db2.gz GMPGBDRVYIKMQN-PMACEKPBSA-N 1 3 341.499 2.642 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000368280362 150085554 /nfs/dbraw/zinc/08/55/54/150085554.db2.gz SGMXEPKMICRBQK-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000368352366 150100136 /nfs/dbraw/zinc/10/01/36/150100136.db2.gz QWHXPKIUSFYJOX-VQTJNVASSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000368352366 150100139 /nfs/dbraw/zinc/10/01/39/150100139.db2.gz QWHXPKIUSFYJOX-VQTJNVASSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000368352367 150100229 /nfs/dbraw/zinc/10/02/29/150100229.db2.gz QWHXPKIUSFYJOX-WOJBJXKFSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000368352367 150100231 /nfs/dbraw/zinc/10/02/31/150100231.db2.gz QWHXPKIUSFYJOX-WOJBJXKFSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000368352365 150100422 /nfs/dbraw/zinc/10/04/22/150100422.db2.gz QWHXPKIUSFYJOX-UXHICEINSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)C1 ZINC000368352365 150100424 /nfs/dbraw/zinc/10/04/24/150100424.db2.gz QWHXPKIUSFYJOX-UXHICEINSA-N 1 3 330.472 2.772 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000369088709 150272567 /nfs/dbraw/zinc/27/25/67/150272567.db2.gz VUSYOSLASJPFSM-KRWDZBQOSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000369088709 150272569 /nfs/dbraw/zinc/27/25/69/150272569.db2.gz VUSYOSLASJPFSM-KRWDZBQOSA-N 1 3 330.476 2.887 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000369171587 150292178 /nfs/dbraw/zinc/29/21/78/150292178.db2.gz KZXBWRABFAUDNA-UHFFFAOYSA-N 1 3 329.488 2.840 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373390124 151162847 /nfs/dbraw/zinc/16/28/47/151162847.db2.gz SUXAEPMGHZMIEG-INIZCTEOSA-N 1 3 342.491 2.621 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373390124 151162849 /nfs/dbraw/zinc/16/28/49/151162849.db2.gz SUXAEPMGHZMIEG-INIZCTEOSA-N 1 3 342.491 2.621 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)[C@@H]2C1 ZINC000373827513 151232810 /nfs/dbraw/zinc/23/28/10/151232810.db2.gz WPKPOKAMOGMGOY-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)[C@@H]2C1 ZINC000373827513 151232814 /nfs/dbraw/zinc/23/28/14/151232814.db2.gz WPKPOKAMOGMGOY-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC000374061299 151277775 /nfs/dbraw/zinc/27/77/75/151277775.db2.gz LWOIPMOTQLVXPI-CEXWTWQISA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC000374061299 151277777 /nfs/dbraw/zinc/27/77/77/151277777.db2.gz LWOIPMOTQLVXPI-CEXWTWQISA-N 1 3 330.472 2.749 20 0 EFADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374322456 151322440 /nfs/dbraw/zinc/32/24/40/151322440.db2.gz DEQBVODOUUALHG-WIYYLYMNSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374322456 151322443 /nfs/dbraw/zinc/32/24/43/151322443.db2.gz DEQBVODOUUALHG-WIYYLYMNSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374322454 151323122 /nfs/dbraw/zinc/32/31/22/151323122.db2.gz DEQBVODOUUALHG-NQIIRXRSSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374322454 151323124 /nfs/dbraw/zinc/32/31/24/151323124.db2.gz DEQBVODOUUALHG-NQIIRXRSSA-N 1 3 345.531 2.932 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374325874 151323986 /nfs/dbraw/zinc/32/39/86/151323986.db2.gz CUESXFKJYJSLFD-QUCCMNQESA-N 1 3 330.520 2.725 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374435199 151347655 /nfs/dbraw/zinc/34/76/55/151347655.db2.gz IFQFRUUCOSJPQS-HXUWFJFHSA-N 1 3 341.499 2.887 20 0 EFADHO COc1ccc([C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000359367546 286359229 /nfs/dbraw/zinc/35/92/29/286359229.db2.gz BOFPKARSDVTEJN-MJGOQNOKSA-N 1 3 347.503 2.569 20 0 EFADHO COc1ccc([C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000359367546 286359230 /nfs/dbraw/zinc/35/92/30/286359230.db2.gz BOFPKARSDVTEJN-MJGOQNOKSA-N 1 3 347.503 2.569 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000352129945 287267218 /nfs/dbraw/zinc/26/72/18/287267218.db2.gz DSIJBROSAQRTFM-IKGGRYGDSA-N 1 3 330.538 2.586 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000163928028 226029795 /nfs/dbraw/zinc/02/97/95/226029795.db2.gz BUVSFTLLDGCYCG-IBGZPJMESA-N 1 3 333.545 2.680 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165345275 226121401 /nfs/dbraw/zinc/12/14/01/226121401.db2.gz FVHQXWWETOJSFE-QUCCMNQESA-N 1 3 338.499 2.952 20 0 EFADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000165931260 226142828 /nfs/dbraw/zinc/14/28/28/226142828.db2.gz JJTMIJBNIQNSEA-LPHOPBHVSA-N 1 3 325.456 2.571 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166243844 226152886 /nfs/dbraw/zinc/15/28/86/226152886.db2.gz MQISXQKTIHKLIP-SOLBZPMBSA-N 1 3 331.504 2.903 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000166265182 226153658 /nfs/dbraw/zinc/15/36/58/226153658.db2.gz DDOOYWVHUMIMIX-BQFCYCMXSA-N 1 3 331.504 2.903 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168507167 226216761 /nfs/dbraw/zinc/21/67/61/226216761.db2.gz MHZPWBDHWBCVEH-NXHRZFHOSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168507167 226216766 /nfs/dbraw/zinc/21/67/66/226216766.db2.gz MHZPWBDHWBCVEH-NXHRZFHOSA-N 1 3 349.544 2.578 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000122340715 222065685 /nfs/dbraw/zinc/06/56/85/222065685.db2.gz XLMWLPJTWHYGDE-BBWFWOEESA-N 1 3 347.503 2.505 20 0 EFADHO Cc1cc(F)ccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123851737 222341412 /nfs/dbraw/zinc/34/14/12/222341412.db2.gz CSPCGSNWXYFLBF-UHFFFAOYSA-N 1 3 343.446 2.715 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000120597072 544588571 /nfs/dbraw/zinc/58/85/71/544588571.db2.gz MGJCKTUJBTUIHV-HXUWFJFHSA-N 1 3 331.504 2.524 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000161608856 544815958 /nfs/dbraw/zinc/81/59/58/544815958.db2.gz UTMZCGFJTNMGJJ-PKOBYXMFSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCc1nccn1CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000164314052 544840960 /nfs/dbraw/zinc/84/09/60/544840960.db2.gz XBSKUENICLYCLM-KRWDZBQOSA-N 1 3 326.488 2.946 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CCO1 ZINC000166303735 544849712 /nfs/dbraw/zinc/84/97/12/544849712.db2.gz CBSHWVMNVUPCEV-DUXKGJEZSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CCO1 ZINC000166303735 544849719 /nfs/dbraw/zinc/84/97/19/544849719.db2.gz CBSHWVMNVUPCEV-DUXKGJEZSA-N 1 3 343.515 2.624 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168257786 544853085 /nfs/dbraw/zinc/85/30/85/544853085.db2.gz JJZGKCHVMVJCOQ-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168257786 544853090 /nfs/dbraw/zinc/85/30/90/544853090.db2.gz JJZGKCHVMVJCOQ-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000680582450 549353337 /nfs/dbraw/zinc/35/33/37/549353337.db2.gz DSOJNHQVGBVMBG-PMACEKPBSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@@H](NCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104102 264989969 /nfs/dbraw/zinc/98/99/69/264989969.db2.gz FUGYOTJGFPVJPP-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H](NCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104102 264989973 /nfs/dbraw/zinc/98/99/73/264989973.db2.gz FUGYOTJGFPVJPP-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183104102 264989975 /nfs/dbraw/zinc/98/99/75/264989975.db2.gz FUGYOTJGFPVJPP-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC1CCC1 ZINC000184746394 265025381 /nfs/dbraw/zinc/02/53/81/265025381.db2.gz ZVAZYIOVAWIWIH-IAGOWNOFSA-N 1 3 343.515 2.649 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000188472694 265136643 /nfs/dbraw/zinc/13/66/43/265136643.db2.gz SJXQGRBGTLGHPE-UHFFFAOYSA-N 1 3 326.529 2.624 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191171431 265253201 /nfs/dbraw/zinc/25/32/01/265253201.db2.gz UVNPWUWTWFNYDQ-KRWDZBQOSA-N 1 3 335.540 2.841 20 0 EFADHO CC(C)[NH+]1CCN(CCCN(Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000192725319 265304711 /nfs/dbraw/zinc/30/47/11/265304711.db2.gz QWTPXFUGJPETEU-HXUWFJFHSA-N 1 3 349.519 2.677 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)CCOCc2ccccc2)CC1 ZINC000192756090 265308092 /nfs/dbraw/zinc/30/80/92/265308092.db2.gz ZROJPOVSSWVEAL-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)CCOCc2ccccc2)CC1 ZINC000192756090 265308098 /nfs/dbraw/zinc/30/80/98/265308098.db2.gz ZROJPOVSSWVEAL-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO CCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745245 265308194 /nfs/dbraw/zinc/30/81/94/265308194.db2.gz LMFBLPYAISVCHL-ROUUACIJSA-N 1 3 325.541 2.538 20 0 EFADHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745245 265308195 /nfs/dbraw/zinc/30/81/95/265308195.db2.gz LMFBLPYAISVCHL-ROUUACIJSA-N 1 3 325.541 2.538 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000271553177 266005539 /nfs/dbraw/zinc/00/55/39/266005539.db2.gz VEVBQDLKXNQHQI-KPOBHBOGSA-N 1 3 345.487 2.673 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c1 ZINC000271553178 266005689 /nfs/dbraw/zinc/00/56/89/266005689.db2.gz VEVBQDLKXNQHQI-PNHOKKKMSA-N 1 3 345.487 2.673 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272064398 266140358 /nfs/dbraw/zinc/14/03/58/266140358.db2.gz IOPCWOHXKMVVAC-UHFFFAOYSA-N 1 3 344.503 2.588 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272064398 266140359 /nfs/dbraw/zinc/14/03/59/266140359.db2.gz IOPCWOHXKMVVAC-UHFFFAOYSA-N 1 3 344.503 2.588 20 0 EFADHO CN1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000272381994 266247570 /nfs/dbraw/zinc/24/75/70/266247570.db2.gz RTRNFVVFOLBUNC-UHFFFAOYSA-N 1 3 344.503 2.884 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000272442831 266267684 /nfs/dbraw/zinc/26/76/84/266267684.db2.gz LGOOXBXCRYUZFL-HNAYVOBHSA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000272442831 266267686 /nfs/dbraw/zinc/26/76/86/266267686.db2.gz LGOOXBXCRYUZFL-HNAYVOBHSA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@@](C)(N)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000272513411 266289687 /nfs/dbraw/zinc/28/96/87/266289687.db2.gz XTZKJZHNBRBMHK-LJQANCHMSA-N 1 3 335.492 2.541 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000272629323 266332565 /nfs/dbraw/zinc/33/25/65/266332565.db2.gz BEFJNKRMNMRSQJ-MRXNPFEDSA-N 1 3 329.488 2.909 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)c1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272657365 266340846 /nfs/dbraw/zinc/34/08/46/266340846.db2.gz LWWKEPAKCZWWAF-SJLPKXTDSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657365 266340847 /nfs/dbraw/zinc/34/08/47/266340847.db2.gz LWWKEPAKCZWWAF-SJLPKXTDSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657365 266340848 /nfs/dbraw/zinc/34/08/48/266340848.db2.gz LWWKEPAKCZWWAF-SJLPKXTDSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272671918 266346692 /nfs/dbraw/zinc/34/66/92/266346692.db2.gz PQRXUTVWMMPXLS-FUHWJXTLSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272671918 266346694 /nfs/dbraw/zinc/34/66/94/266346694.db2.gz PQRXUTVWMMPXLS-FUHWJXTLSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272671918 266346697 /nfs/dbraw/zinc/34/66/97/266346697.db2.gz PQRXUTVWMMPXLS-FUHWJXTLSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H]([NH2+]C[C@](C)(O)c1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272671933 266346727 /nfs/dbraw/zinc/34/67/27/266346727.db2.gz PRAYRRSDWPOEAZ-HQRMLTQVSA-N 1 3 328.456 2.987 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272789687 266382542 /nfs/dbraw/zinc/38/25/42/266382542.db2.gz CFYHAZUOGYUAMH-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272789687 266382545 /nfs/dbraw/zinc/38/25/45/266382545.db2.gz CFYHAZUOGYUAMH-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO Cc1c2cccc(C)c2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000103213150 273000844 /nfs/dbraw/zinc/00/08/44/273000844.db2.gz XEYAOBVLRVIASY-UHFFFAOYSA-N 1 3 331.460 2.615 20 0 EFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000274412723 266645879 /nfs/dbraw/zinc/64/58/79/266645879.db2.gz JKUSRUCYCVJRAY-OWCLPIDISA-N 1 3 343.471 2.524 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1OCCN(C)C ZINC000276513041 267003117 /nfs/dbraw/zinc/00/31/17/267003117.db2.gz WNSUIUWANSCCSZ-UHFFFAOYSA-N 1 3 349.519 2.821 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276660558 267030702 /nfs/dbraw/zinc/03/07/02/267030702.db2.gz VZVWDPVCGYZMEG-RTWAWAEBSA-N 1 3 344.499 2.943 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277058472 267107905 /nfs/dbraw/zinc/10/79/05/267107905.db2.gz JJIMSJUUQDVVHX-KRWDZBQOSA-N 1 3 332.492 2.739 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000277158586 267121771 /nfs/dbraw/zinc/12/17/71/267121771.db2.gz QWHXPGSBQIESLE-BHIYHBOVSA-N 1 3 333.545 2.676 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC[N@H+]1C ZINC000277158586 267121773 /nfs/dbraw/zinc/12/17/73/267121773.db2.gz QWHXPGSBQIESLE-BHIYHBOVSA-N 1 3 333.545 2.676 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000277884375 267289453 /nfs/dbraw/zinc/28/94/53/267289453.db2.gz WHKPNGHQMUTZFP-UHFFFAOYSA-N 1 3 330.476 2.744 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000278300340 267394262 /nfs/dbraw/zinc/39/42/62/267394262.db2.gz CDDGHOIYAKHZLR-MSOLQXFVSA-N 1 3 336.451 2.692 20 0 EFADHO C[NH+](C)CCC1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000278544424 267475144 /nfs/dbraw/zinc/47/51/44/267475144.db2.gz SJAZBGONDRCAIJ-UHFFFAOYSA-N 1 3 346.471 2.694 20 0 EFADHO CNC(=O)c1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000157771157 273021446 /nfs/dbraw/zinc/02/14/46/273021446.db2.gz RTANARFJYYRIPB-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CNC(=O)c1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000157771157 273021447 /nfs/dbraw/zinc/02/14/47/273021447.db2.gz RTANARFJYYRIPB-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000173343881 273024667 /nfs/dbraw/zinc/02/46/67/273024667.db2.gz QARZVJVQMUWTPI-JKSUJKDBSA-N 1 3 325.497 2.755 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000193930588 273066485 /nfs/dbraw/zinc/06/64/85/273066485.db2.gz WHARLAXDQYODRO-HXUWFJFHSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237586559 273071824 /nfs/dbraw/zinc/07/18/24/273071824.db2.gz GWJXXMHEJWXVED-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO COc1ccc(Br)cc1CNCC[C@H]1CCC[NH2+]C1 ZINC000258870436 273075007 /nfs/dbraw/zinc/07/50/07/273075007.db2.gz AUCDYQZGVCOLSE-GFCCVEGCSA-N 1 3 327.266 2.937 20 0 EFADHO COc1ccc(Br)cc1CN(C)CC[C@@H]1CC[NH2+]C1 ZINC000258880832 273075018 /nfs/dbraw/zinc/07/50/18/273075018.db2.gz BRVWKODKZMODMM-LBPRGKRZSA-N 1 3 327.266 2.889 20 0 EFADHO CCc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccc2n1 ZINC000269715281 273089399 /nfs/dbraw/zinc/08/93/99/273089399.db2.gz AIILZIMUDKHSFX-MRXNPFEDSA-N 1 3 325.456 2.956 20 0 EFADHO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc(OCCN(C)C)cc1 ZINC000271540847 273104749 /nfs/dbraw/zinc/10/47/49/273104749.db2.gz SQNQPWMPVKHDQE-OAHLLOKOSA-N 1 3 347.434 2.891 20 0 EFADHO C[C@@H](NCCOc1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271540847 273104751 /nfs/dbraw/zinc/10/47/51/273104751.db2.gz SQNQPWMPVKHDQE-OAHLLOKOSA-N 1 3 347.434 2.891 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1N(C)C ZINC000271565802 273105523 /nfs/dbraw/zinc/10/55/23/273105523.db2.gz XSNTXBUQIDZODR-CWFSZBLJSA-N 1 3 331.504 2.781 20 0 EFADHO C[C@@H]([NH2+]CCN1CCOCC1(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274970311 273136487 /nfs/dbraw/zinc/13/64/87/273136487.db2.gz XYZQCJZDVKWNQK-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274970311 273136489 /nfs/dbraw/zinc/13/64/89/273136489.db2.gz XYZQCJZDVKWNQK-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274970311 273136491 /nfs/dbraw/zinc/13/64/91/273136491.db2.gz XYZQCJZDVKWNQK-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO CN1CC=C(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000279215653 273189326 /nfs/dbraw/zinc/18/93/26/273189326.db2.gz WPPBGNXZRYINFX-UHFFFAOYSA-N 1 3 343.471 2.639 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000279639888 273236998 /nfs/dbraw/zinc/23/69/98/273236998.db2.gz AOXJJKWNKOKFHP-HKUYNNGSSA-N 1 3 332.488 2.997 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000279640098 273237145 /nfs/dbraw/zinc/23/71/45/273237145.db2.gz ARGISRFVVWKOPD-SJORKVTESA-N 1 3 328.884 2.974 20 0 EFADHO CC(C)[C@H](C[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000279689947 273242556 /nfs/dbraw/zinc/24/25/56/273242556.db2.gz QSLCOMQKNZCANY-FQEVSTJZSA-N 1 3 345.531 2.816 20 0 EFADHO CN(C)C/C=C/C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000280194629 273300984 /nfs/dbraw/zinc/30/09/84/273300984.db2.gz WBBLCBYEKAFSOW-JXMROGBWSA-N 1 3 344.503 2.521 20 0 EFADHO COCCCN1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280786345 273366551 /nfs/dbraw/zinc/36/65/51/273366551.db2.gz GABQZMMRHNSWIQ-UHFFFAOYSA-N 1 3 346.450 2.602 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000280871122 273375921 /nfs/dbraw/zinc/37/59/21/273375921.db2.gz ODPIDODMKBDMRU-XLBJILASSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000281007228 273391036 /nfs/dbraw/zinc/39/10/36/273391036.db2.gz LCZINQILWKKDRK-CMJOXMDJSA-N 1 3 338.517 2.579 20 0 EFADHO CN(C(=O)[C@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000281073416 273397895 /nfs/dbraw/zinc/39/78/95/273397895.db2.gz KWBPQIPWQCRMRO-ROUUACIJSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C(=O)[C@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000281073416 273397897 /nfs/dbraw/zinc/39/78/97/273397897.db2.gz KWBPQIPWQCRMRO-ROUUACIJSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C2CCC(C(F)F)CC2)ccn1 ZINC000282399440 273556655 /nfs/dbraw/zinc/55/66/55/273556655.db2.gz RPILIJPJSZMFAD-UHFFFAOYSA-N 1 3 327.419 2.936 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285513944 274015564 /nfs/dbraw/zinc/01/55/64/274015564.db2.gz AVFXEBBDVPRAOK-LSDHHAIUSA-N 1 3 331.460 2.789 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285513942 274015652 /nfs/dbraw/zinc/01/56/52/274015652.db2.gz AVFXEBBDVPRAOK-HUUCEWRRSA-N 1 3 331.460 2.789 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCC(O)CC3)CC2)c1 ZINC000285676786 274050973 /nfs/dbraw/zinc/05/09/73/274050973.db2.gz NRXUYOIDYWKPOY-UHFFFAOYSA-N 1 3 345.531 2.790 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)c(C)c1OC ZINC000285699109 274055778 /nfs/dbraw/zinc/05/57/78/274055778.db2.gz OYVWKVANMITNDF-INIZCTEOSA-N 1 3 349.519 2.689 20 0 EFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000285976458 274110205 /nfs/dbraw/zinc/11/02/05/274110205.db2.gz HOUCJTIYINSGKW-CHWSQXEVSA-N 1 3 345.409 2.579 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286085082 274130558 /nfs/dbraw/zinc/13/05/58/274130558.db2.gz DEOXSLPFCJVQGT-XNMUZJSGSA-N 1 3 341.499 2.735 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286085082 274130560 /nfs/dbraw/zinc/13/05/60/274130560.db2.gz DEOXSLPFCJVQGT-XNMUZJSGSA-N 1 3 341.499 2.735 20 0 EFADHO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286096651 274132978 /nfs/dbraw/zinc/13/29/78/274132978.db2.gz MIUXKIGZSDRCIO-XRXFAXGQSA-N 1 3 346.515 2.664 20 0 EFADHO c1ncn(CC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000286131393 274139706 /nfs/dbraw/zinc/13/97/06/274139706.db2.gz OMULMCPBSRQLGF-ZCNNSNEGSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000286131393 274139707 /nfs/dbraw/zinc/13/97/07/274139707.db2.gz OMULMCPBSRQLGF-ZCNNSNEGSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000286131393 274139708 /nfs/dbraw/zinc/13/97/08/274139708.db2.gz OMULMCPBSRQLGF-ZCNNSNEGSA-N 1 3 339.487 2.559 20 0 EFADHO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286258854 274163920 /nfs/dbraw/zinc/16/39/20/274163920.db2.gz UTVYAEUMNGYDII-SLFFLAALSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1cnn(C)c1C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000286664625 274246483 /nfs/dbraw/zinc/24/64/83/274246483.db2.gz UTOPNPDRRCHHGR-IAGOWNOFSA-N 1 3 326.488 2.975 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000287386229 274409230 /nfs/dbraw/zinc/40/92/30/274409230.db2.gz VCBHIDAYXSZIQB-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000287695919 274472438 /nfs/dbraw/zinc/47/24/38/274472438.db2.gz NKICSUPPAAKOEV-GDBMZVCRSA-N 1 3 343.393 2.998 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422711097 274503458 /nfs/dbraw/zinc/50/34/58/274503458.db2.gz MGGJVEXFEDRVIC-OBJOEFQTSA-N 1 3 326.282 2.743 20 0 EFADHO C[C@H](NC(=O)NCC1(C)CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288188384 274544339 /nfs/dbraw/zinc/54/43/39/274544339.db2.gz PYZNDRNNJHIFTH-WMZOPIPTSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[NH+](C)C ZINC000288394717 274584468 /nfs/dbraw/zinc/58/44/68/274584468.db2.gz SFRDZUKVPBVPJB-ZWKOTPCHSA-N 1 3 335.492 2.533 20 0 EFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1 ZINC000358508205 275028961 /nfs/dbraw/zinc/02/89/61/275028961.db2.gz OSTCSDQVFCLORP-MRXNPFEDSA-N 1 3 333.863 2.521 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337439999 275636493 /nfs/dbraw/zinc/63/64/93/275636493.db2.gz YBUPSIIWRARTSG-JKSUJKDBSA-N 1 3 333.467 2.543 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000418355130 275745512 /nfs/dbraw/zinc/74/55/12/275745512.db2.gz PBRIXWUBQARQDS-KSSFIOAISA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414202722 275991778 /nfs/dbraw/zinc/99/17/78/275991778.db2.gz UPIWNOUXGASXEN-MOPGFXCFSA-N 1 3 337.552 2.587 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000353690449 276004293 /nfs/dbraw/zinc/00/42/93/276004293.db2.gz DIBLLEPQASNVNF-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453539 276063594 /nfs/dbraw/zinc/06/35/94/276063594.db2.gz KVCUXBCZASPYEH-OQIJWPOYSA-N 1 3 329.488 2.798 20 0 EFADHO CCN(C(=O)[C@H](C[NH3+])C(C)C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000433116893 276064239 /nfs/dbraw/zinc/06/42/39/276064239.db2.gz MFHUZNJLRACGIS-YTQUADARSA-N 1 3 331.504 2.901 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246887474 276092882 /nfs/dbraw/zinc/09/28/82/276092882.db2.gz BINGXOGFNASGDH-HKUYNNGSSA-N 1 3 331.504 2.840 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246887474 276092884 /nfs/dbraw/zinc/09/28/84/276092884.db2.gz BINGXOGFNASGDH-HKUYNNGSSA-N 1 3 331.504 2.840 20 0 EFADHO CCN(CC)CC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173285647 276092925 /nfs/dbraw/zinc/09/29/25/276092925.db2.gz ATCMISGXDPPJLB-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCN(CC)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173285647 276092926 /nfs/dbraw/zinc/09/29/26/276092926.db2.gz ATCMISGXDPPJLB-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267499654 276099013 /nfs/dbraw/zinc/09/90/13/276099013.db2.gz IHEQZKIPUXDKRT-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)ncn3C)CC1 ZINC000342908804 276099864 /nfs/dbraw/zinc/09/98/64/276099864.db2.gz JIKCWCVTZVWMQM-UHFFFAOYSA-N 1 3 344.503 2.896 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000338466135 276128251 /nfs/dbraw/zinc/12/82/51/276128251.db2.gz RCQZXFITIFICNT-AEFFLSMTSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000338466135 276128253 /nfs/dbraw/zinc/12/82/53/276128253.db2.gz RCQZXFITIFICNT-AEFFLSMTSA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000338282571 276150728 /nfs/dbraw/zinc/15/07/28/276150728.db2.gz KBAACEIMDXHACW-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000352910846 276175812 /nfs/dbraw/zinc/17/58/12/276175812.db2.gz PLIHBFHOZQEYSC-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000352910846 276175813 /nfs/dbraw/zinc/17/58/13/276175813.db2.gz PLIHBFHOZQEYSC-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CC2(O)CCCC2)CC1 ZINC000093503184 276203443 /nfs/dbraw/zinc/20/34/43/276203443.db2.gz RUQIXFXSBCYIDC-UHFFFAOYSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC2(O)CCCC2)CC1 ZINC000093503184 276203444 /nfs/dbraw/zinc/20/34/44/276203444.db2.gz RUQIXFXSBCYIDC-UHFFFAOYSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC[C@@H]2C)CC1 ZINC000353039116 276203667 /nfs/dbraw/zinc/20/36/67/276203667.db2.gz OSQFKFJKOHXTEK-ZWKOTPCHSA-N 1 3 331.504 2.591 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C ZINC000361761913 276213009 /nfs/dbraw/zinc/21/30/09/276213009.db2.gz AMFFUTXOBTYYQA-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C ZINC000361761913 276213011 /nfs/dbraw/zinc/21/30/11/276213011.db2.gz AMFFUTXOBTYYQA-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352341588 276259735 /nfs/dbraw/zinc/25/97/35/276259735.db2.gz YXCPWFSFMIRNEW-RTBURBONSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000352341588 276259737 /nfs/dbraw/zinc/25/97/37/276259737.db2.gz YXCPWFSFMIRNEW-RTBURBONSA-N 1 3 346.519 2.771 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)CC[NH2+]CC1 ZINC000423162209 276273758 /nfs/dbraw/zinc/27/37/58/276273758.db2.gz TWNCZJNPSJJJMP-BFYDXBDKSA-N 1 3 346.471 2.810 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc2c(c1)OCCCCO2 ZINC000449220262 276335303 /nfs/dbraw/zinc/33/53/03/276335303.db2.gz GYFPWSAMECQNRK-KRWDZBQOSA-N 1 3 336.476 2.684 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000101981679 276347052 /nfs/dbraw/zinc/34/70/52/276347052.db2.gz RVENEVWREWQGCI-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000101981679 276347054 /nfs/dbraw/zinc/34/70/54/276347054.db2.gz RVENEVWREWQGCI-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1)C1CC1 ZINC000342721568 276353688 /nfs/dbraw/zinc/35/36/88/276353688.db2.gz HRXHHYMHDDEGEP-SXLOBPIMSA-N 1 3 341.499 2.870 20 0 EFADHO CCO[C@H]1C[C@@](CO)([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000188904161 276363582 /nfs/dbraw/zinc/36/35/82/276363582.db2.gz WXIROJBYRMORLS-ICSRJNTNSA-N 1 3 338.536 2.939 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449218703 276754949 /nfs/dbraw/zinc/75/49/49/276754949.db2.gz AEURDXWZYQFXLQ-OAHLLOKOSA-N 1 3 341.421 2.707 20 0 EFADHO CN(c1ccccc1CN1CCC[C@@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000129511327 277003134 /nfs/dbraw/zinc/00/31/34/277003134.db2.gz YWLWXHAVJGQSKV-HXUWFJFHSA-N 1 3 331.504 2.564 20 0 EFADHO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411259561 277012289 /nfs/dbraw/zinc/01/22/89/277012289.db2.gz WXKLCXRLFGORIC-IBGZPJMESA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411259561 277012291 /nfs/dbraw/zinc/01/22/91/277012291.db2.gz WXKLCXRLFGORIC-IBGZPJMESA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411259561 277012292 /nfs/dbraw/zinc/01/22/92/277012292.db2.gz WXKLCXRLFGORIC-IBGZPJMESA-N 1 3 329.488 2.631 20 0 EFADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422941381 277087351 /nfs/dbraw/zinc/08/73/51/277087351.db2.gz HXHOOMMQEAXRMG-QRVBRYPASA-N 1 3 331.460 2.534 20 0 EFADHO CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411685664 277254884 /nfs/dbraw/zinc/25/48/84/277254884.db2.gz WKADXPDHXQNCGU-HXUWFJFHSA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411685664 277254886 /nfs/dbraw/zinc/25/48/86/277254886.db2.gz WKADXPDHXQNCGU-HXUWFJFHSA-N 1 3 329.488 2.631 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418372086 277281846 /nfs/dbraw/zinc/28/18/46/277281846.db2.gz SNCRSWWTBDZXCB-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000415900317 277287785 /nfs/dbraw/zinc/28/77/85/277287785.db2.gz LFDXXKQUTUPOLS-HNNXBMFYSA-N 1 3 330.476 2.744 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418448844 277438458 /nfs/dbraw/zinc/43/84/58/277438458.db2.gz SIVZLAPKXYTJKD-HOTGVXAUSA-N 1 3 340.899 2.615 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000358496577 277512560 /nfs/dbraw/zinc/51/25/60/277512560.db2.gz JHBVMPIEUVGNFX-QFBILLFUSA-N 1 3 348.535 2.737 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000349150013 277714424 /nfs/dbraw/zinc/71/44/24/277714424.db2.gz MMURWBHNNYVHFC-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(O)CCN(C)CC1 ZINC000352810888 277729038 /nfs/dbraw/zinc/72/90/38/277729038.db2.gz PCCUAVZWPLRQFD-KAMYIIQDSA-N 1 3 340.414 2.738 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000418340946 278049379 /nfs/dbraw/zinc/04/93/79/278049379.db2.gz CYKQYZKZVVYWSJ-BMGDILEWSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000418341425 278049548 /nfs/dbraw/zinc/04/95/48/278049548.db2.gz DFTNXZYYIWTKJJ-KZNAEPCWSA-N 1 3 332.492 2.627 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217916 278126291 /nfs/dbraw/zinc/12/62/91/278126291.db2.gz PFKNEJXBSFFVQO-CTAFRAEOSA-N 1 3 341.499 2.627 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358152122 278172736 /nfs/dbraw/zinc/17/27/36/278172736.db2.gz KMJPRRHNYXMDGC-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358152122 278172738 /nfs/dbraw/zinc/17/27/38/278172738.db2.gz KMJPRRHNYXMDGC-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO CC1(C)CC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000341254046 278190279 /nfs/dbraw/zinc/19/02/79/278190279.db2.gz BPCWIQYHMVWBBH-INIZCTEOSA-N 1 3 336.524 2.565 20 0 EFADHO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422708640 278196994 /nfs/dbraw/zinc/19/69/94/278196994.db2.gz CDBARILJSXEXSV-CYBMUJFWSA-N 1 3 326.444 2.700 20 0 EFADHO C[C@H](CNC(=O)C[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000431754950 278197955 /nfs/dbraw/zinc/19/79/55/278197955.db2.gz BDCBAMSTDWKSNO-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339015 278212268 /nfs/dbraw/zinc/21/22/68/278212268.db2.gz LKYVKMLJEITACM-UGCZWRCOSA-N 1 3 335.536 2.637 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1CC[NH2+]CC1 ZINC000414778809 278221938 /nfs/dbraw/zinc/22/19/38/278221938.db2.gz IZWLLAPUKZICSL-NSHDSACASA-N 1 3 340.265 2.508 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CCNCC1 ZINC000414778809 278221939 /nfs/dbraw/zinc/22/19/39/278221939.db2.gz IZWLLAPUKZICSL-NSHDSACASA-N 1 3 340.265 2.508 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000298484659 278254888 /nfs/dbraw/zinc/25/48/88/278254888.db2.gz PRDCJXIPWPKTLK-AWEZNQCLSA-N 1 3 339.443 2.892 20 0 EFADHO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375393027 278259108 /nfs/dbraw/zinc/25/91/08/278259108.db2.gz SZRIBOFJSOAEMU-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375393027 278259112 /nfs/dbraw/zinc/25/91/12/278259112.db2.gz SZRIBOFJSOAEMU-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375393027 278259114 /nfs/dbraw/zinc/25/91/14/278259114.db2.gz SZRIBOFJSOAEMU-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347650382 279122169 /nfs/dbraw/zinc/12/21/69/279122169.db2.gz HRRGFGPVBXRDCE-PKOBYXMFSA-N 1 3 329.488 2.920 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCN1C ZINC000455865213 279122929 /nfs/dbraw/zinc/12/29/29/279122929.db2.gz UIPOPMBCQMFIGR-XWIAVFTESA-N 1 3 330.476 2.840 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)CC(C)C ZINC000357815811 279163497 /nfs/dbraw/zinc/16/34/97/279163497.db2.gz NOFCNZLKIOHJTD-AEFFLSMTSA-N 1 3 338.540 2.693 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000347002880 279234689 /nfs/dbraw/zinc/23/46/89/279234689.db2.gz DZZSYMLDEMEBKR-HXUWFJFHSA-N 1 3 341.499 2.980 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000347002880 279234690 /nfs/dbraw/zinc/23/46/90/279234690.db2.gz DZZSYMLDEMEBKR-HXUWFJFHSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@H](CC(N)=O)[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000267291383 279249886 /nfs/dbraw/zinc/24/98/86/279249886.db2.gz XVRSIGNJHKONLI-OAHLLOKOSA-N 1 3 325.456 2.769 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303429815 279272077 /nfs/dbraw/zinc/27/20/77/279272077.db2.gz BRGSVAPERZVDNT-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303429815 279272078 /nfs/dbraw/zinc/27/20/78/279272078.db2.gz BRGSVAPERZVDNT-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000429372376 279328970 /nfs/dbraw/zinc/32/89/70/279328970.db2.gz MZSGWIGSSMEOAW-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000429372376 279328971 /nfs/dbraw/zinc/32/89/71/279328971.db2.gz MZSGWIGSSMEOAW-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1C ZINC000434189474 279329400 /nfs/dbraw/zinc/32/94/00/279329400.db2.gz NIWRRUBWRNSBBN-KRWDZBQOSA-N 1 3 335.467 2.622 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1C ZINC000434189474 279329401 /nfs/dbraw/zinc/32/94/01/279329401.db2.gz NIWRRUBWRNSBBN-KRWDZBQOSA-N 1 3 335.467 2.622 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438273445 279333674 /nfs/dbraw/zinc/33/36/74/279333674.db2.gz RKMDPNAXGHAJKQ-ZWKOTPCHSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438273445 279333676 /nfs/dbraw/zinc/33/36/76/279333676.db2.gz RKMDPNAXGHAJKQ-ZWKOTPCHSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N(C)Cc1ccccc1 ZINC000303494615 279334343 /nfs/dbraw/zinc/33/43/43/279334343.db2.gz SYDQGCYXWBEBOE-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N(C)Cc1ccccc1 ZINC000303494615 279334345 /nfs/dbraw/zinc/33/43/45/279334345.db2.gz SYDQGCYXWBEBOE-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO Cn1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000261753474 279337430 /nfs/dbraw/zinc/33/74/30/279337430.db2.gz QKJFCCAMBPCWII-QUCCMNQESA-N 1 3 347.466 2.656 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C ZINC000361761915 279396763 /nfs/dbraw/zinc/39/67/63/279396763.db2.gz AMFFUTXOBTYYQA-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@@H]1C ZINC000361761915 279396765 /nfs/dbraw/zinc/39/67/65/279396765.db2.gz AMFFUTXOBTYYQA-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000349150016 279766191 /nfs/dbraw/zinc/76/61/91/279766191.db2.gz MMURWBHNNYVHFC-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CN(CCO[C@H]2CCCC[C@H]2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343922878 288180710 /nfs/dbraw/zinc/18/07/10/288180710.db2.gz LIOFSVZJCXFHHC-WTGUMLROSA-N 1 3 337.552 2.540 20 0 EFADHO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414202727 279974676 /nfs/dbraw/zinc/97/46/76/279974676.db2.gz UPIWNOUXGASXEN-RTBURBONSA-N 1 3 337.552 2.587 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353432524 280071442 /nfs/dbraw/zinc/07/14/42/280071442.db2.gz SJKUTDONBZXSMT-UXHICEINSA-N 1 3 343.515 2.923 20 0 EFADHO CC[C@@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820983 280109194 /nfs/dbraw/zinc/10/91/94/280109194.db2.gz BSOGNSOMZPKDKV-IAGOWNOFSA-N 1 3 346.519 2.923 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccccc1CN1CCCCC1)[C@@H](C)[NH3+] ZINC000423317931 280176148 /nfs/dbraw/zinc/17/61/48/280176148.db2.gz YVSFPXUWDULXIH-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414196278 280185672 /nfs/dbraw/zinc/18/56/72/280185672.db2.gz ONBPRKQJKVIJSV-MRXNPFEDSA-N 1 3 337.533 2.585 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000340120032 280240775 /nfs/dbraw/zinc/24/07/75/280240775.db2.gz DUJVKLNWWLRXTO-IHPCNDPISA-N 1 3 343.515 2.703 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000345478303 280248256 /nfs/dbraw/zinc/24/82/56/280248256.db2.gz JQOYJYMPQSYKHA-SQNIBIBYSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236663211 280250009 /nfs/dbraw/zinc/25/00/09/280250009.db2.gz QYNSSQRIMRNSNS-RLLQIKCJSA-N 1 3 343.515 2.703 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000357549245 280749010 /nfs/dbraw/zinc/74/90/10/280749010.db2.gz UIHNZTYLOVWCTC-HOTGVXAUSA-N 1 3 338.496 2.690 20 0 EFADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000423089693 281249479 /nfs/dbraw/zinc/24/94/79/281249479.db2.gz SVZQFPXVAKBEFJ-GBESFXJTSA-N 1 3 332.488 2.819 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000422783675 282045196 /nfs/dbraw/zinc/04/51/96/282045196.db2.gz NFBAZIXGYHJTIL-PCCBWWKXSA-N 1 3 341.543 2.986 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000357321158 292686754 /nfs/dbraw/zinc/68/67/54/292686754.db2.gz ZYHBXPNOJXKKSM-SCTDSRPQSA-N 1 3 346.519 2.722 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000368579956 289181833 /nfs/dbraw/zinc/18/18/33/289181833.db2.gz IYNVVRCQDLFAKA-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C ZINC000433911204 289183923 /nfs/dbraw/zinc/18/39/23/289183923.db2.gz HLLVILBSMDAHEA-SJORKVTESA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000365466423 289226133 /nfs/dbraw/zinc/22/61/33/289226133.db2.gz QWHGHWFTYHBALH-KRWDZBQOSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237421138 289301196 /nfs/dbraw/zinc/30/11/96/289301196.db2.gz ZKJAOTIDFKWZCT-YQVWRLOYSA-N 1 3 329.488 2.657 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCOCc1ccccc1 ZINC000363778007 289323659 /nfs/dbraw/zinc/32/36/59/289323659.db2.gz PWFYKAKRGIBQPK-AQNXPRMDSA-N 1 3 332.488 2.777 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418664537 289407214 /nfs/dbraw/zinc/40/72/14/289407214.db2.gz CZDURBGXSXHGPE-APWZRJJASA-N 1 3 346.519 2.838 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441011170 289470327 /nfs/dbraw/zinc/47/03/27/289470327.db2.gz OFTGHRCTYGUJFW-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430948130 289766221 /nfs/dbraw/zinc/76/62/21/289766221.db2.gz DVFXLSAJJRNJFV-LPHOPBHVSA-N 1 3 329.488 2.799 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12)C1CCN(C)CC1 ZINC000190329602 289785228 /nfs/dbraw/zinc/78/52/28/289785228.db2.gz JSCOOFSWHPVKLU-SFHLNBCPSA-N 1 3 343.515 2.874 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)C1CCN(C)CC1 ZINC000249772719 289785274 /nfs/dbraw/zinc/78/52/74/289785274.db2.gz JSCOOFSWHPVKLU-SBHAEUEKSA-N 1 3 343.515 2.874 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000080664469 292806297 /nfs/dbraw/zinc/80/62/97/292806297.db2.gz QLGKNHBDZAITOZ-QGZVFWFLSA-N 1 3 326.529 2.669 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000126713131 293047848 /nfs/dbraw/zinc/04/78/48/293047848.db2.gz DJPWFFAXVQOIOM-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000126713131 293047850 /nfs/dbraw/zinc/04/78/50/293047850.db2.gz DJPWFFAXVQOIOM-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128014605 293088514 /nfs/dbraw/zinc/08/85/14/293088514.db2.gz CAWVEXLFUWHLNY-HOTGVXAUSA-N 1 3 343.471 2.979 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000129045268 293122568 /nfs/dbraw/zinc/12/25/68/293122568.db2.gz ZZRKAXGIQAXLEL-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000129045268 293122572 /nfs/dbraw/zinc/12/25/72/293122572.db2.gz ZZRKAXGIQAXLEL-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000130519568 293168794 /nfs/dbraw/zinc/16/87/94/293168794.db2.gz PIXWRASDWKJYCU-IEBWSBKVSA-N 1 3 329.488 2.575 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000131097792 293186908 /nfs/dbraw/zinc/18/69/08/293186908.db2.gz NJSWNRJYMJSGSC-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H](C)C1 ZINC000132155712 293219546 /nfs/dbraw/zinc/21/95/46/293219546.db2.gz OMDFTKJIXMQACQ-MJGOQNOKSA-N 1 3 326.488 2.794 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H](C)C1 ZINC000132155712 293219552 /nfs/dbraw/zinc/21/95/52/293219552.db2.gz OMDFTKJIXMQACQ-MJGOQNOKSA-N 1 3 326.488 2.794 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000132176915 293219818 /nfs/dbraw/zinc/21/98/18/293219818.db2.gz XTKXIRCLSUSMSK-LMMKCTJWSA-N 1 3 326.488 2.792 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000132176915 293219822 /nfs/dbraw/zinc/21/98/22/293219822.db2.gz XTKXIRCLSUSMSK-LMMKCTJWSA-N 1 3 326.488 2.792 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000152295409 293327246 /nfs/dbraw/zinc/32/72/46/293327246.db2.gz SOEGRBMNJAXSHG-LEWJYISDSA-N 1 3 345.531 2.859 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760710 293392441 /nfs/dbraw/zinc/39/24/41/293392441.db2.gz WQLVXUZDYJLGAN-INIZCTEOSA-N 1 3 330.476 2.800 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760710 293392443 /nfs/dbraw/zinc/39/24/43/293392443.db2.gz WQLVXUZDYJLGAN-INIZCTEOSA-N 1 3 330.476 2.800 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760710 293392446 /nfs/dbraw/zinc/39/24/46/293392446.db2.gz WQLVXUZDYJLGAN-INIZCTEOSA-N 1 3 330.476 2.800 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154423968 293425944 /nfs/dbraw/zinc/42/59/44/293425944.db2.gz RKKNKZQWLDYNFH-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000158564731 293577604 /nfs/dbraw/zinc/57/76/04/293577604.db2.gz CTSIPIAZWGBRMO-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C[C@@H](C)O1 ZINC000290110845 294001836 /nfs/dbraw/zinc/00/18/36/294001836.db2.gz OFSWHVCVVRNBHW-IAGOWNOFSA-N 1 3 334.504 2.893 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000290123192 294004726 /nfs/dbraw/zinc/00/47/26/294004726.db2.gz LFVKVLQDZSBGSF-PMACEKPBSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000290294864 294049407 /nfs/dbraw/zinc/04/94/07/294049407.db2.gz YGHFBBDCZNZBSR-NXHRZFHOSA-N 1 3 349.544 2.710 20 0 EFADHO C[NH+](C)CC1(CNC(=O)C2C[C@H](c3ccccc3)OC2=O)CCCC1 ZINC000290342363 294061870 /nfs/dbraw/zinc/06/18/70/294061870.db2.gz FMPYFTWRSVGDCD-IAGOWNOFSA-N 1 3 344.455 2.529 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000290411557 294079220 /nfs/dbraw/zinc/07/92/20/294079220.db2.gz KCIXRCMJGWVGSI-IBGZPJMESA-N 1 3 341.499 2.759 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000290411557 294079225 /nfs/dbraw/zinc/07/92/25/294079225.db2.gz KCIXRCMJGWVGSI-IBGZPJMESA-N 1 3 341.499 2.759 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000290411560 294079627 /nfs/dbraw/zinc/07/96/27/294079627.db2.gz KCIXRCMJGWVGSI-LJQANCHMSA-N 1 3 341.499 2.759 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(=O)N4C)C2)CC1 ZINC000290411560 294079628 /nfs/dbraw/zinc/07/96/28/294079628.db2.gz KCIXRCMJGWVGSI-LJQANCHMSA-N 1 3 341.499 2.759 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563508 294121203 /nfs/dbraw/zinc/12/12/03/294121203.db2.gz SLQQOXLQWDCMBN-IEZWGBDMSA-N 1 3 346.471 2.543 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563508 294121206 /nfs/dbraw/zinc/12/12/06/294121206.db2.gz SLQQOXLQWDCMBN-IEZWGBDMSA-N 1 3 346.471 2.543 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290622742 294138498 /nfs/dbraw/zinc/13/84/98/294138498.db2.gz ORLNPXKDXCXQMW-OIISXLGYSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290622742 294138501 /nfs/dbraw/zinc/13/85/01/294138501.db2.gz ORLNPXKDXCXQMW-OIISXLGYSA-N 1 3 332.444 2.527 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000290632385 294141434 /nfs/dbraw/zinc/14/14/34/294141434.db2.gz YAHLJJQBECHMKJ-AEFFLSMTSA-N 1 3 348.487 2.627 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000290632385 294141441 /nfs/dbraw/zinc/14/14/41/294141441.db2.gz YAHLJJQBECHMKJ-AEFFLSMTSA-N 1 3 348.487 2.627 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000290664214 294150455 /nfs/dbraw/zinc/15/04/55/294150455.db2.gz GJZAFONVOFSWGC-LJQANCHMSA-N 1 3 341.499 2.642 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000290664214 294150458 /nfs/dbraw/zinc/15/04/58/294150458.db2.gz GJZAFONVOFSWGC-LJQANCHMSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290951335 294229583 /nfs/dbraw/zinc/22/95/83/294229583.db2.gz VDCLLQZSSFJEIU-WBVHZDCISA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H](NCc1c[nH]c2nccnc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290951335 294229586 /nfs/dbraw/zinc/22/95/86/294229586.db2.gz VDCLLQZSSFJEIU-WBVHZDCISA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H](NCc1c[nH]c2nccnc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290951335 294229588 /nfs/dbraw/zinc/22/95/88/294229588.db2.gz VDCLLQZSSFJEIU-WBVHZDCISA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291204566 294309557 /nfs/dbraw/zinc/30/95/57/294309557.db2.gz KCNLSPIRDHJSJE-WBVHZDCISA-N 1 3 330.476 2.741 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@H]2C)n(C)c1C ZINC000291265308 294330288 /nfs/dbraw/zinc/33/02/88/294330288.db2.gz SQCIFKHCCZQEIW-OAHLLOKOSA-N 1 3 335.492 2.864 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@H]2C)n(C)c1C ZINC000291265308 294330290 /nfs/dbraw/zinc/33/02/90/294330290.db2.gz SQCIFKHCCZQEIW-OAHLLOKOSA-N 1 3 335.492 2.864 20 0 EFADHO COC(=O)c1cc(CNCCCC[NH+]2CCC(C)CC2)n(C)c1C ZINC000291306938 294343033 /nfs/dbraw/zinc/34/30/33/294343033.db2.gz XGZNHXGAVSMYEX-UHFFFAOYSA-N 1 3 335.492 2.722 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000292078277 294572349 /nfs/dbraw/zinc/57/23/49/294572349.db2.gz LVJQLUJUOTUNDU-ZDUSSCGKSA-N 1 3 339.867 2.751 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000292121489 294586197 /nfs/dbraw/zinc/58/61/97/294586197.db2.gz QNCIMENMRGANDB-QGZVFWFLSA-N 1 3 344.503 2.608 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000292190672 294606971 /nfs/dbraw/zinc/60/69/71/294606971.db2.gz XNEZNIJIRDTKGX-PKOBYXMFSA-N 1 3 347.503 2.727 20 0 EFADHO CC1(C)OCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000293600667 295008819 /nfs/dbraw/zinc/00/88/19/295008819.db2.gz FYRNKJXKFIIMPC-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO COc1cc([C@@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000124354260 295019213 /nfs/dbraw/zinc/01/92/13/295019213.db2.gz HGRAIUPETHGNRG-ZIAGYGMSSA-N 1 3 334.460 2.847 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703145 295031692 /nfs/dbraw/zinc/03/16/92/295031692.db2.gz OMTPEZSHSJAJNK-DLBZAZTESA-N 1 3 347.503 2.540 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703145 295031693 /nfs/dbraw/zinc/03/16/93/295031693.db2.gz OMTPEZSHSJAJNK-DLBZAZTESA-N 1 3 347.503 2.540 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293737358 295038330 /nfs/dbraw/zinc/03/83/30/295038330.db2.gz VJCYPPXUYXIKAB-FQEVSTJZSA-N 1 3 339.487 2.802 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000293737358 295038332 /nfs/dbraw/zinc/03/83/32/295038332.db2.gz VJCYPPXUYXIKAB-FQEVSTJZSA-N 1 3 339.487 2.802 20 0 EFADHO CCC[C@H](C)C(=O)NCCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293788024 295049522 /nfs/dbraw/zinc/04/95/22/295049522.db2.gz UBNOQTVJHBKLNW-DLBZAZTESA-N 1 3 349.519 2.830 20 0 EFADHO C[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN(C)C ZINC000293888322 295072047 /nfs/dbraw/zinc/07/20/47/295072047.db2.gz ZAVUBKRCPVAAIO-HUUCEWRRSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+](C)C ZINC000293888322 295072048 /nfs/dbraw/zinc/07/20/48/295072048.db2.gz ZAVUBKRCPVAAIO-HUUCEWRRSA-N 1 3 339.911 2.864 20 0 EFADHO COc1ccc2c(c1)OC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000294228201 295131595 /nfs/dbraw/zinc/13/15/95/295131595.db2.gz OCAJCMCXFTVYDT-QGZVFWFLSA-N 1 3 339.439 2.652 20 0 EFADHO COc1ccc2c(c1)OC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000294228196 295131656 /nfs/dbraw/zinc/13/16/56/295131656.db2.gz OCAJCMCXFTVYDT-KRWDZBQOSA-N 1 3 339.439 2.652 20 0 EFADHO CC1CC[NH+](CCCCNCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000294437338 295167114 /nfs/dbraw/zinc/16/71/14/295167114.db2.gz XPOSGMRYWYEZIV-UHFFFAOYSA-N 1 3 331.460 2.619 20 0 EFADHO COc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423183621 295215712 /nfs/dbraw/zinc/21/57/12/295215712.db2.gz LGZIQHABJBPJHD-NRFANRHFSA-N 1 3 339.483 2.670 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414674570 295216576 /nfs/dbraw/zinc/21/65/76/295216576.db2.gz KQLAPLYNNAWOAJ-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414674570 295216577 /nfs/dbraw/zinc/21/65/77/295216577.db2.gz KQLAPLYNNAWOAJ-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311415 295241178 /nfs/dbraw/zinc/24/11/78/295241178.db2.gz VVBKLQDTFJXSKN-NQIIRXRSSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311415 295241180 /nfs/dbraw/zinc/24/11/80/295241180.db2.gz VVBKLQDTFJXSKN-NQIIRXRSSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311415 295241182 /nfs/dbraw/zinc/24/11/82/295241182.db2.gz VVBKLQDTFJXSKN-NQIIRXRSSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422760988 295241856 /nfs/dbraw/zinc/24/18/56/295241856.db2.gz QSRNJMFSWYCSMK-HOJAQTOUSA-N 1 3 331.504 2.939 20 0 EFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000294912530 295244713 /nfs/dbraw/zinc/24/47/13/295244713.db2.gz FBCBWRVFCKGFSW-ALOPSCKCSA-N 1 3 326.444 2.800 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000294924555 295246466 /nfs/dbraw/zinc/24/64/66/295246466.db2.gz CVYPEEOFLAXXEL-INIZCTEOSA-N 1 3 329.488 2.819 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000294990701 295254904 /nfs/dbraw/zinc/25/49/04/295254904.db2.gz HNVXXHNENGDWMO-HNNXBMFYSA-N 1 3 335.517 2.870 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000295198315 295280942 /nfs/dbraw/zinc/28/09/42/295280942.db2.gz OVOMGVIEQMORTM-HZPDHXFCSA-N 1 3 329.488 2.907 20 0 EFADHO COC(=O)COC[C@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000295231923 295285518 /nfs/dbraw/zinc/28/55/18/295285518.db2.gz RWGXIMFHBNQKOP-KRWDZBQOSA-N 1 3 348.487 2.730 20 0 EFADHO CN(Cc1cccc(C[N@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000295236299 295286159 /nfs/dbraw/zinc/28/61/59/295286159.db2.gz OWPQEGXNIIPLJZ-UHFFFAOYSA-N 1 3 336.520 2.587 20 0 EFADHO CN(Cc1cccc(C[N@@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000295236299 295286160 /nfs/dbraw/zinc/28/61/60/295286160.db2.gz OWPQEGXNIIPLJZ-UHFFFAOYSA-N 1 3 336.520 2.587 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c(F)cccc2N2CCCC2)CC1 ZINC000414792831 295319143 /nfs/dbraw/zinc/31/91/43/295319143.db2.gz SUCHXEWXRUXLQU-QUCCMNQESA-N 1 3 347.478 2.754 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CC[C@H](CO)CC1)C1CCN(C)CC1 ZINC000295586161 295345083 /nfs/dbraw/zinc/34/50/83/295345083.db2.gz DXQRSJXOVWJLII-UAPYVXQJSA-N 1 3 345.531 2.858 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)CO2 ZINC000295875114 295389935 /nfs/dbraw/zinc/38/99/35/295389935.db2.gz HISQORKTAZVRLT-GOSISDBHSA-N 1 3 326.440 2.850 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340963242 297358200 /nfs/dbraw/zinc/35/82/00/297358200.db2.gz IZVWPGLZBLWLJF-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000340963242 297358201 /nfs/dbraw/zinc/35/82/01/297358201.db2.gz IZVWPGLZBLWLJF-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412330734 298169466 /nfs/dbraw/zinc/16/94/66/298169466.db2.gz AKYRMIPNRTWJAX-FSZRXZPDSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412330734 298169468 /nfs/dbraw/zinc/16/94/68/298169468.db2.gz AKYRMIPNRTWJAX-FSZRXZPDSA-N 1 3 335.467 2.806 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000431023543 301313089 /nfs/dbraw/zinc/31/30/89/301313089.db2.gz RMMWZDGBUZHQDL-SFHVURJKSA-N 1 3 345.462 2.705 20 0 EFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1 ZINC000422918747 302297897 /nfs/dbraw/zinc/29/78/97/302297897.db2.gz INUSUMBOBXTZBV-YESZJQIVSA-N 1 3 333.476 2.608 20 0 EFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422918747 302297900 /nfs/dbraw/zinc/29/79/00/302297900.db2.gz INUSUMBOBXTZBV-YESZJQIVSA-N 1 3 333.476 2.608 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414674573 303365896 /nfs/dbraw/zinc/36/58/96/303365896.db2.gz KQLAPLYNNAWOAJ-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414674573 303365897 /nfs/dbraw/zinc/36/58/97/303365897.db2.gz KQLAPLYNNAWOAJ-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000414670321 303366496 /nfs/dbraw/zinc/36/64/96/303366496.db2.gz CYQFNZFUEYMHMO-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000414670321 303366499 /nfs/dbraw/zinc/36/64/99/303366499.db2.gz CYQFNZFUEYMHMO-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000297074193 310849347 /nfs/dbraw/zinc/84/93/47/310849347.db2.gz YYGDAZJIERXYDT-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000297651738 310918044 /nfs/dbraw/zinc/91/80/44/310918044.db2.gz KEZYCVFYHKHGST-HNNXBMFYSA-N 1 3 328.460 2.981 20 0 EFADHO CCOc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1O ZINC000297985565 310945735 /nfs/dbraw/zinc/94/57/35/310945735.db2.gz YLIYDMDWRXHPLK-UHFFFAOYSA-N 1 3 348.487 2.868 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)[C@H]1SC ZINC000298257720 310972774 /nfs/dbraw/zinc/97/27/74/310972774.db2.gz FEYHPZWIKOMVOG-CGTJXYLNSA-N 1 3 338.517 2.626 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000298569279 311004352 /nfs/dbraw/zinc/00/43/52/311004352.db2.gz BTFFOJVQQXWYRL-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO CCN1CCC(NC(=O)NCc2cccc(C[NH+](CC)CC)c2)CC1 ZINC000298640192 311010356 /nfs/dbraw/zinc/01/03/56/311010356.db2.gz GDSYROGUVBXQMK-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2cc1OC ZINC000299068196 311047499 /nfs/dbraw/zinc/04/74/99/311047499.db2.gz VIIOWQFMHRQJPC-DYVFJYSZSA-N 1 3 327.428 2.782 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2cc1OC ZINC000299068196 311047501 /nfs/dbraw/zinc/04/75/01/311047501.db2.gz VIIOWQFMHRQJPC-DYVFJYSZSA-N 1 3 327.428 2.782 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416422 311082670 /nfs/dbraw/zinc/08/26/70/311082670.db2.gz UDDBFRMZDDEJJA-HOJAQTOUSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416422 311082671 /nfs/dbraw/zinc/08/26/71/311082671.db2.gz UDDBFRMZDDEJJA-HOJAQTOUSA-N 1 3 334.504 2.837 20 0 EFADHO C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CN(C)C ZINC000309742754 311228608 /nfs/dbraw/zinc/22/86/08/311228608.db2.gz WJNSJGOUKSWVET-HNSVSWJLSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H](CNC[C@@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000320494472 311237745 /nfs/dbraw/zinc/23/77/45/311237745.db2.gz BNEPSQZOOGKOQP-DOTOQJQBSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000320494472 311237746 /nfs/dbraw/zinc/23/77/46/311237746.db2.gz BNEPSQZOOGKOQP-DOTOQJQBSA-N 1 3 340.895 2.539 20 0 EFADHO Clc1ccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000323790940 311240496 /nfs/dbraw/zinc/24/04/96/311240496.db2.gz DCKUOFRERGPDFL-OKILXGFUSA-N 1 3 332.835 2.821 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@@H]1C ZINC000331224604 311361786 /nfs/dbraw/zinc/36/17/86/311361786.db2.gz DUDBFYRXSPNIHI-DZGCQCFKSA-N 1 3 336.455 2.541 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@@H]1C ZINC000331224604 311361788 /nfs/dbraw/zinc/36/17/88/311361788.db2.gz DUDBFYRXSPNIHI-DZGCQCFKSA-N 1 3 336.455 2.541 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000333208000 311583168 /nfs/dbraw/zinc/58/31/68/311583168.db2.gz ZDXHQFBBXASBPA-HKUYNNGSSA-N 1 3 341.455 2.659 20 0 EFADHO CC1(C)Cc2occc2[C@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333242210 311588578 /nfs/dbraw/zinc/58/85/78/311588578.db2.gz FCRQECMTHLDSSF-MDZRGWNJSA-N 1 3 345.487 2.530 20 0 EFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1csc(Cl)c1 ZINC000333298325 311596851 /nfs/dbraw/zinc/59/68/51/311596851.db2.gz PPVWJPUNFXSENT-WNMQOVRZSA-N 1 3 341.908 2.699 20 0 EFADHO COc1cc2c(c(CN3CCC([C@H]4CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000357055388 311902756 /nfs/dbraw/zinc/90/27/56/311902756.db2.gz RACVPTLPGYVZQD-ZBFHGGJFSA-N 1 3 330.472 2.840 20 0 EFADHO CCC[NH+]1CCC(Nc2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000413045911 312045821 /nfs/dbraw/zinc/04/58/21/312045821.db2.gz YSRCKXIQWYBQIU-UHFFFAOYSA-N 1 3 329.444 2.960 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414928577 312064688 /nfs/dbraw/zinc/06/46/88/312064688.db2.gz QHDVMBQKUVKNEN-QWHCGFSZSA-N 1 3 332.400 2.588 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CN[C@@H](C)CCCC[NH3+] ZINC000415012479 312077335 /nfs/dbraw/zinc/07/73/35/312077335.db2.gz IXQYBLCEOOWKFA-LBPRGKRZSA-N 1 3 332.897 2.741 20 0 EFADHO C[C@H](CCC[NH3+])NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415017375 312078039 /nfs/dbraw/zinc/07/80/39/312078039.db2.gz FEYSVWNHIIAKOQ-SNVBAGLBSA-N 1 3 328.247 2.791 20 0 EFADHO COc1ccc(OCc2ccccn2)c(CN[C@@H](C)CCC[NH3+])c1 ZINC000415025434 312078686 /nfs/dbraw/zinc/07/86/86/312078686.db2.gz QZAXWWBEQNBSSJ-HNNXBMFYSA-N 1 3 329.444 2.886 20 0 EFADHO C[C@@H](CCC[NH3+])NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000415025836 312078981 /nfs/dbraw/zinc/07/89/81/312078981.db2.gz RUNUPXUIQNZBOO-JTQLQIEISA-N 1 3 328.247 2.791 20 0 EFADHO COc1cc(Br)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415041716 312082084 /nfs/dbraw/zinc/08/20/84/312082084.db2.gz QCYXCNFDCSGBGH-ZYHUDNBSSA-N 1 3 343.265 2.683 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415044813 312082750 /nfs/dbraw/zinc/08/27/50/312082750.db2.gz BZKCWIVZRXVXCF-SUMWQHHRSA-N 1 3 349.475 2.528 20 0 EFADHO [NH3+]C[C@@H]1CC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000415046360 312083070 /nfs/dbraw/zinc/08/30/70/312083070.db2.gz VBMVSOJLQQDYLY-MNOVXSKESA-N 1 3 340.258 2.791 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000415046361 312083077 /nfs/dbraw/zinc/08/30/77/312083077.db2.gz VBMVSOJLQQDYLY-QWRGUYRKSA-N 1 3 340.258 2.791 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCC2)c(OC)c1 ZINC000415065331 312086985 /nfs/dbraw/zinc/08/69/85/312086985.db2.gz MOYUVLLPZNZZPZ-SUMWQHHRSA-N 1 3 349.475 2.528 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH2+]C1CC1 ZINC000415070577 312087977 /nfs/dbraw/zinc/08/79/77/312087977.db2.gz RBZDJGDXNZSNMD-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCNC1CC1 ZINC000415070577 312087978 /nfs/dbraw/zinc/08/79/78/312087978.db2.gz RBZDJGDXNZSNMD-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000415078081 312089233 /nfs/dbraw/zinc/08/92/33/312089233.db2.gz IESFFSQMNDAEKZ-VAMGGRTRSA-N 1 3 343.515 2.575 20 0 EFADHO CC(C)(C)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000415081316 312089545 /nfs/dbraw/zinc/08/95/45/312089545.db2.gz MQXJIOXELVYCOZ-KBXCAEBGSA-N 1 3 335.467 2.700 20 0 EFADHO Cc1cccc([C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C(C)(C)C)c1 ZINC000415080537 312089554 /nfs/dbraw/zinc/08/95/54/312089554.db2.gz LWNVPKVNXISCHT-LPHOPBHVSA-N 1 3 331.504 2.869 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)COc2ccccc21 ZINC000415082427 312089925 /nfs/dbraw/zinc/08/99/25/312089925.db2.gz OISRQVHCTABBHB-DLBZAZTESA-N 1 3 345.487 2.703 20 0 EFADHO Fc1ccc(CN2CCC[C@H](NC3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415083537 312090292 /nfs/dbraw/zinc/09/02/92/312090292.db2.gz NPKCVHJWBRKMMW-INIZCTEOSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(CN2CCC[C@H]([NH2+]C3CCNCC3)C2)c(Cl)c1 ZINC000415083537 312090294 /nfs/dbraw/zinc/09/02/94/312090294.db2.gz NPKCVHJWBRKMMW-INIZCTEOSA-N 1 3 325.859 2.785 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1Cl ZINC000415083426 312090423 /nfs/dbraw/zinc/09/04/23/312090423.db2.gz FHZMLMDVCROQNB-NEPJUHHUSA-N 1 3 344.286 2.841 20 0 EFADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415084312 312090580 /nfs/dbraw/zinc/09/05/80/312090580.db2.gz OSRWCWNDDUHBAW-MOPGFXCFSA-N 1 3 331.504 2.575 20 0 EFADHO CC(C)(C)c1ccc(S(=O)(=O)CCNC2CCC([NH3+])CC2)cc1 ZINC000415095278 312092778 /nfs/dbraw/zinc/09/27/78/312092778.db2.gz ZHTAOCYYVSJUNS-UHFFFAOYSA-N 1 3 338.517 2.617 20 0 EFADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415096937 312093239 /nfs/dbraw/zinc/09/32/39/312093239.db2.gz CCNVIIYOKSQVAN-MJGOQNOKSA-N 1 3 331.504 2.869 20 0 EFADHO CCN1CCN(c2ccc(NC[C@H]3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000415118191 312097493 /nfs/dbraw/zinc/09/74/93/312097493.db2.gz JKFWJQOISQSZDV-MSOLQXFVSA-N 1 3 330.520 2.937 20 0 EFADHO CCN1CCN(c2ccc(NC[C@@H]3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000415118197 312097556 /nfs/dbraw/zinc/09/75/56/312097556.db2.gz JKFWJQOISQSZDV-ZWKOTPCHSA-N 1 3 330.520 2.937 20 0 EFADHO COc1ccccc1/C=C/CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415118771 312097642 /nfs/dbraw/zinc/09/76/42/312097642.db2.gz DZDDHXJLJSFLJQ-UYLUUYTCSA-N 1 3 330.472 2.927 20 0 EFADHO [NH3+]C1(CNCc2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000415126261 312099023 /nfs/dbraw/zinc/09/90/23/312099023.db2.gz GDTBORCDQSLGPL-UHFFFAOYSA-N 1 3 327.447 2.909 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)nn1 ZINC000415138278 312101580 /nfs/dbraw/zinc/10/15/80/312101580.db2.gz YTITTYJUOZOVRG-SFHVURJKSA-N 1 3 343.475 2.623 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)nn1 ZINC000415138278 312101582 /nfs/dbraw/zinc/10/15/82/312101582.db2.gz YTITTYJUOZOVRG-SFHVURJKSA-N 1 3 343.475 2.623 20 0 EFADHO CC(C)Oc1ccc2ccccc2c1CN1CCC(O)(C[NH3+])CC1 ZINC000415146390 312103198 /nfs/dbraw/zinc/10/31/98/312103198.db2.gz YPLKYAUPSIOJLN-UHFFFAOYSA-N 1 3 328.456 2.913 20 0 EFADHO Cc1ccc(NC(=O)NCC2([NH3+])CCCCC2)c(OCCN(C)C)c1 ZINC000415202498 312113234 /nfs/dbraw/zinc/11/32/34/312113234.db2.gz IUXNXEAXPUTCAX-UHFFFAOYSA-N 1 3 348.491 2.719 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415211601 312114541 /nfs/dbraw/zinc/11/45/41/312114541.db2.gz YOPQIVVHIQODNU-NVXWUHKLSA-N 1 3 348.491 2.527 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415312822 312128377 /nfs/dbraw/zinc/12/83/77/312128377.db2.gz UFYIUXZVSSEBQR-MRXNPFEDSA-N 1 3 348.491 2.671 20 0 EFADHO CN(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415882298 312179251 /nfs/dbraw/zinc/17/92/51/312179251.db2.gz KLIBLKUPHLFHQQ-IBGZPJMESA-N 1 3 338.455 2.757 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000415885839 312179349 /nfs/dbraw/zinc/17/93/49/312179349.db2.gz SQJSXUVCNMCHGI-UHFFFAOYSA-N 1 3 332.492 2.966 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000415948359 312183198 /nfs/dbraw/zinc/18/31/98/312183198.db2.gz YATDZMHLVWWEGT-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415952691 312184192 /nfs/dbraw/zinc/18/41/92/312184192.db2.gz GCJAPXMWRYUMET-UHFFFAOYSA-N 1 3 326.444 2.741 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415955020 312184402 /nfs/dbraw/zinc/18/44/02/312184402.db2.gz IZQIZIZHVZHRTI-BEFAXECRSA-N 1 3 338.455 2.787 20 0 EFADHO CC[NH+]1CCC(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415966264 312186744 /nfs/dbraw/zinc/18/67/44/312186744.db2.gz GGPIVFVZRSADGU-UHFFFAOYSA-N 1 3 344.381 2.770 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000415971929 312188271 /nfs/dbraw/zinc/18/82/71/312188271.db2.gz KMQXNRBZVOFJJH-UHFFFAOYSA-N 1 3 346.475 2.556 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccsc1 ZINC000417008625 312194334 /nfs/dbraw/zinc/19/43/34/312194334.db2.gz MEZDDICFERAYHZ-NUEKZKHPSA-N 1 3 338.521 2.510 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000417312432 312207246 /nfs/dbraw/zinc/20/72/46/312207246.db2.gz NRSOJPYGLRQPGO-IBGZPJMESA-N 1 3 346.519 2.629 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C1CC[NH2+]CC1 ZINC000417316996 312208045 /nfs/dbraw/zinc/20/80/45/312208045.db2.gz VMWKBIMPZISQBD-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C1CC[NH2+]CC1 ZINC000417316998 312208060 /nfs/dbraw/zinc/20/80/60/312208060.db2.gz VMWKBIMPZISQBD-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417350952 312212708 /nfs/dbraw/zinc/21/27/08/312212708.db2.gz BKXVYDNXYZGRGK-SFHVURJKSA-N 1 3 346.519 2.949 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@H]2C)[NH+]2CCCC2)cc1 ZINC000417358454 312213710 /nfs/dbraw/zinc/21/37/10/312213710.db2.gz TXUDCUYONAIACP-LMMKCTJWSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H](C)NC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000417359226 312214124 /nfs/dbraw/zinc/21/41/24/312214124.db2.gz VISARTPLQWLDDF-SCTDSRPQSA-N 1 3 344.503 2.524 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000417393731 312217148 /nfs/dbraw/zinc/21/71/48/312217148.db2.gz UXEMGOWNWHTIPT-GOEBONIOSA-N 1 3 341.446 2.617 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000417393733 312217444 /nfs/dbraw/zinc/21/74/44/312217444.db2.gz UXEMGOWNWHTIPT-ZBFHGGJFSA-N 1 3 341.446 2.617 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000417458089 312225990 /nfs/dbraw/zinc/22/59/90/312225990.db2.gz CLELJGKMBJULMP-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417558746 312239882 /nfs/dbraw/zinc/23/98/82/312239882.db2.gz WBSGKJFMCJVZHO-IBGZPJMESA-N 1 3 344.503 2.744 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417558746 312239885 /nfs/dbraw/zinc/23/98/85/312239885.db2.gz WBSGKJFMCJVZHO-IBGZPJMESA-N 1 3 344.503 2.744 20 0 EFADHO CCCN(C(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417589999 312245111 /nfs/dbraw/zinc/24/51/11/312245111.db2.gz QUXOZIDFYLPKDC-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000417595793 312245719 /nfs/dbraw/zinc/24/57/19/312245719.db2.gz YKJXZKDISCZLFM-BZSNNMDCSA-N 1 3 346.519 2.571 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417654104 312253019 /nfs/dbraw/zinc/25/30/19/312253019.db2.gz RLQISQBELRMRQJ-OALUTQOASA-N 1 3 346.519 2.666 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417696948 312258331 /nfs/dbraw/zinc/25/83/31/312258331.db2.gz CRMJUBKIZOANEE-RYRKJORJSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700901 312258906 /nfs/dbraw/zinc/25/89/06/312258906.db2.gz JAOWSTUEYZWNTQ-IAGOWNOFSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700900 312259035 /nfs/dbraw/zinc/25/90/35/312259035.db2.gz JAOWSTUEYZWNTQ-DLBZAZTESA-N 1 3 346.519 2.805 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417704150 312259217 /nfs/dbraw/zinc/25/92/17/312259217.db2.gz LWDUJYBXICKJBF-HNNXBMFYSA-N 1 3 334.508 2.933 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000417710902 312259672 /nfs/dbraw/zinc/25/96/72/312259672.db2.gz VHLQZLPJKBNAPT-RYQLBKOJSA-N 1 3 346.519 2.933 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417816047 312274089 /nfs/dbraw/zinc/27/40/89/312274089.db2.gz BYUNKCXBEFCFPF-UHOSZYNNSA-N 1 3 346.519 2.570 20 0 EFADHO C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H](N)c1ccccc1 ZINC000417836452 312278438 /nfs/dbraw/zinc/27/84/38/312278438.db2.gz OUJUQXMHBIKRLX-KFKAGJAMSA-N 1 3 325.456 2.919 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000417858095 312283655 /nfs/dbraw/zinc/28/36/55/312283655.db2.gz USVVATKGVVUISJ-MSOLQXFVSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417870093 312286316 /nfs/dbraw/zinc/28/63/16/312286316.db2.gz IIYLSXLSBADVKH-BHIYHBOVSA-N 1 3 346.519 2.664 20 0 EFADHO Cc1cc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000417933412 312297957 /nfs/dbraw/zinc/29/79/57/312297957.db2.gz DTXJMBBWPDQESS-IGOJGBNBSA-N 1 3 326.488 2.975 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000418017110 312310241 /nfs/dbraw/zinc/31/02/41/312310241.db2.gz RZRDMGCEQRIYCO-QRQLOZEOSA-N 1 3 346.519 2.522 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418021700 312310457 /nfs/dbraw/zinc/31/04/57/312310457.db2.gz AAEPSCGGKHWORI-MOPGFXCFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418027817 312311870 /nfs/dbraw/zinc/31/18/70/312311870.db2.gz GRDNKABXJAMVSH-LJQANCHMSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418028389 312311950 /nfs/dbraw/zinc/31/19/50/312311950.db2.gz HJZYSWNWBZMHBD-NEWSRXKRSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC1(C)CC[NH2+]CC1 ZINC000418040789 312314870 /nfs/dbraw/zinc/31/48/70/312314870.db2.gz WEVJCXQILGDASB-GOSISDBHSA-N 1 3 346.519 2.584 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418095582 312324710 /nfs/dbraw/zinc/32/47/10/312324710.db2.gz GTRVWAQVVJCWNJ-SFHVURJKSA-N 1 3 346.519 2.667 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418104305 312326612 /nfs/dbraw/zinc/32/66/12/312326612.db2.gz XOZXFTVBVOQBPM-ROUUACIJSA-N 1 3 346.519 2.886 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](CC(C)C)OC)CC1 ZINC000418106915 312327265 /nfs/dbraw/zinc/32/72/65/312327265.db2.gz YJQUIUKIBCPAPO-LJQANCHMSA-N 1 3 333.520 2.979 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152700 312335506 /nfs/dbraw/zinc/33/55/06/312335506.db2.gz HSHGQVJEQPSLOM-WMZOPIPTSA-N 1 3 346.519 2.714 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152734 312335731 /nfs/dbraw/zinc/33/57/31/312335731.db2.gz HTJXKLLVJLEPJQ-SJLPKXTDSA-N 1 3 346.519 2.584 20 0 EFADHO CCC[NH2+]CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418156913 312336416 /nfs/dbraw/zinc/33/64/16/312336416.db2.gz NXSWKJOQOWPHKX-GOSISDBHSA-N 1 3 346.519 2.586 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418156878 312336546 /nfs/dbraw/zinc/33/65/46/312336546.db2.gz XDMBCBMVRGKQTK-GOSISDBHSA-N 1 3 346.519 2.714 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)CCCC[NH3+])N(C)C ZINC000418162202 312337335 /nfs/dbraw/zinc/33/73/35/312337335.db2.gz CHHXWWLUKHJIGB-NUJGCVRESA-N 1 3 334.508 2.803 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000418172000 312339632 /nfs/dbraw/zinc/33/96/32/312339632.db2.gz WBHXJOHVBZSDEY-XHSDSOJGSA-N 1 3 336.480 2.540 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000418174508 312339758 /nfs/dbraw/zinc/33/97/58/312339758.db2.gz FDCSLOKUDWNKIR-USSHROBNSA-N 1 3 332.492 2.555 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000418175983 312340124 /nfs/dbraw/zinc/34/01/24/312340124.db2.gz GMHWEFHYLPQYPT-VQIMIIECSA-N 1 3 346.519 2.709 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000418175978 312340186 /nfs/dbraw/zinc/34/01/86/312340186.db2.gz GMHWEFHYLPQYPT-APWZRJJASA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000418180410 312341261 /nfs/dbraw/zinc/34/12/61/312341261.db2.gz YJPMRDQXSYMTTR-KRWDZBQOSA-N 1 3 338.540 2.849 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])N(C)C ZINC000418181232 312341335 /nfs/dbraw/zinc/34/13/35/312341335.db2.gz LCIMDWAONDCSTD-CAMMJAKZSA-N 1 3 346.519 2.898 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418180786 312341365 /nfs/dbraw/zinc/34/13/65/312341365.db2.gz KTSYQBNGJVVPHZ-CGTJXYLNSA-N 1 3 334.508 2.693 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C ZINC000418183698 312341660 /nfs/dbraw/zinc/34/16/60/312341660.db2.gz OSYTUNSZSRIVQU-MNEFBYGVSA-N 1 3 346.519 2.803 20 0 EFADHO C[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000418183727 312341680 /nfs/dbraw/zinc/34/16/80/312341680.db2.gz OUOHNGXTTBNNBD-SZMVWBNQSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)N(C)C ZINC000418189798 312343276 /nfs/dbraw/zinc/34/32/76/312343276.db2.gz VRUZZXWMSSAFOF-XZKMEQPCSA-N 1 3 346.519 2.613 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418190860 312343420 /nfs/dbraw/zinc/34/34/20/312343420.db2.gz JVVAUOGUQVZQRD-QFBILLFUSA-N 1 3 348.535 2.914 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C ZINC000418192078 312343754 /nfs/dbraw/zinc/34/37/54/312343754.db2.gz YHEVIAJVTISFQQ-KPFFTGBYSA-N 1 3 346.519 2.675 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C ZINC000418192077 312343975 /nfs/dbraw/zinc/34/39/75/312343975.db2.gz YHEVIAJVTISFQQ-IMFGXOCKSA-N 1 3 346.519 2.675 20 0 EFADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418191749 312343986 /nfs/dbraw/zinc/34/39/86/312343986.db2.gz LKWROVAKQBQJMH-ZWKOTPCHSA-N 1 3 334.508 2.524 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418193049 312344353 /nfs/dbraw/zinc/34/43/53/312344353.db2.gz NDTRTEJDUNRNGQ-CAMMJAKZSA-N 1 3 344.503 2.561 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000418193838 312344666 /nfs/dbraw/zinc/34/46/66/312344666.db2.gz NVLNNYAJZMTNTG-OALUTQOASA-N 1 3 346.519 2.524 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH2+]C)C2)N(CC)CC)cc1 ZINC000418213992 312348202 /nfs/dbraw/zinc/34/82/02/312348202.db2.gz LJKSHAYREDOFTL-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000418470782 312358901 /nfs/dbraw/zinc/35/89/01/312358901.db2.gz VHMIESCIARSAGX-IUVQAAGXSA-N 1 3 344.503 2.578 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000420356781 312363942 /nfs/dbraw/zinc/36/39/42/312363942.db2.gz GJPCBDJXTQCYDQ-CQSZACIVSA-N 1 3 345.256 2.945 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000420772578 312387164 /nfs/dbraw/zinc/38/71/64/312387164.db2.gz OASVLXBPUUPJOF-OALUTQOASA-N 1 3 346.519 2.805 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000420793970 312391788 /nfs/dbraw/zinc/39/17/88/312391788.db2.gz JXOKMKBBDBGANG-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420820485 312396836 /nfs/dbraw/zinc/39/68/36/312396836.db2.gz MJMMBHOJSYEOQH-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420820485 312396838 /nfs/dbraw/zinc/39/68/38/312396838.db2.gz MJMMBHOJSYEOQH-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000423380599 312418000 /nfs/dbraw/zinc/41/80/00/312418000.db2.gz HEOBJEIDZHOTQI-GUYCJALGSA-N 1 3 341.421 2.662 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423764358 312450404 /nfs/dbraw/zinc/45/04/04/312450404.db2.gz SSFCEUMHOKJXAS-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423782726 312452614 /nfs/dbraw/zinc/45/26/14/312452614.db2.gz JBIFWHQUKQLMTK-OALUTQOASA-N 1 3 344.503 2.712 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423782218 312453003 /nfs/dbraw/zinc/45/30/03/312453003.db2.gz YPFHYYMCMAEBOH-PBHICJAKSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000423780941 312453030 /nfs/dbraw/zinc/45/30/30/312453030.db2.gz WSHKNSKNXGACNN-CQSZACIVSA-N 1 3 331.485 2.972 20 0 EFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@H](C)[NH3+] ZINC000423842921 312469107 /nfs/dbraw/zinc/46/91/07/312469107.db2.gz KPVSKUJEMBMMOD-LPHOPBHVSA-N 1 3 346.519 2.775 20 0 EFADHO [NH3+]C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000423936469 312484881 /nfs/dbraw/zinc/48/48/81/312484881.db2.gz CKQUBADZOAWTEZ-IBGZPJMESA-N 1 3 329.488 2.532 20 0 EFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000423940952 312485792 /nfs/dbraw/zinc/48/57/92/312485792.db2.gz OFFCYBYBNKSXPB-IBGZPJMESA-N 1 3 325.456 2.740 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423964413 312490188 /nfs/dbraw/zinc/49/01/88/312490188.db2.gz QDZDNHCHASXULS-INIZCTEOSA-N 1 3 329.444 2.742 20 0 EFADHO CCN(C(=O)CN1CCC([C@H](C)[NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000430959521 312546196 /nfs/dbraw/zinc/54/61/96/312546196.db2.gz ZXHSGSXDOLRXPD-LSDHHAIUSA-N 1 3 335.467 2.794 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000450973564 312788028 /nfs/dbraw/zinc/78/80/28/312788028.db2.gz UGFDPEMBCIALLP-RBUKOAKNSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H]1C[C@H](NCCc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000453102266 312862460 /nfs/dbraw/zinc/86/24/60/312862460.db2.gz PIQLSQFXOYPOHB-YJBOKZPZSA-N 1 3 328.460 2.662 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457930114 313042077 /nfs/dbraw/zinc/04/20/77/313042077.db2.gz KMAWHBBVWKESSY-IRXDYDNUSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000457930114 313042080 /nfs/dbraw/zinc/04/20/80/313042080.db2.gz KMAWHBBVWKESSY-IRXDYDNUSA-N 1 3 338.540 2.621 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)N(CC)CC ZINC000458195213 313082310 /nfs/dbraw/zinc/08/23/10/313082310.db2.gz LNFUMHUEYBAMRH-QGZVFWFLSA-N 1 3 335.492 2.994 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NCCN1CCCC[C@@H]1CC ZINC000469273260 313120875 /nfs/dbraw/zinc/12/08/75/313120875.db2.gz KZRMJJVVQOJVJT-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000470245992 313130427 /nfs/dbraw/zinc/13/04/27/313130427.db2.gz DBGWUTZQVOZYJU-GLJUWKHASA-N 1 3 342.886 2.950 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000470245992 313130429 /nfs/dbraw/zinc/13/04/29/313130429.db2.gz DBGWUTZQVOZYJU-GLJUWKHASA-N 1 3 342.886 2.950 20 0 EFADHO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475017717 313214343 /nfs/dbraw/zinc/21/43/43/313214343.db2.gz RMAPGLNOVYRUFN-MOPGFXCFSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475017717 313214346 /nfs/dbraw/zinc/21/43/46/313214346.db2.gz RMAPGLNOVYRUFN-MOPGFXCFSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146004 313219115 /nfs/dbraw/zinc/21/91/15/313219115.db2.gz TXOMUWIHUFNZFE-ROUUACIJSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146004 313219118 /nfs/dbraw/zinc/21/91/18/313219118.db2.gz TXOMUWIHUFNZFE-ROUUACIJSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)NCC(C)(C)C[NH+]1CCCC1 ZINC000477940570 313247197 /nfs/dbraw/zinc/24/71/97/313247197.db2.gz RLVYJIOBGKYYTD-GOSISDBHSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000477940570 313247200 /nfs/dbraw/zinc/24/72/00/313247200.db2.gz RLVYJIOBGKYYTD-GOSISDBHSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@H]1C ZINC000479306971 313264801 /nfs/dbraw/zinc/26/48/01/313264801.db2.gz DJAFULKWEQIQTH-WXCOAYGQSA-N 1 3 336.524 2.516 20 0 EFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@H]1C ZINC000479306971 313264805 /nfs/dbraw/zinc/26/48/05/313264805.db2.gz DJAFULKWEQIQTH-WXCOAYGQSA-N 1 3 336.524 2.516 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccccc1 ZINC000482157240 313299887 /nfs/dbraw/zinc/29/98/87/313299887.db2.gz NMUQSSQCYGILKD-BJLQDIEVSA-N 1 3 334.504 2.917 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000482157240 313299888 /nfs/dbraw/zinc/29/98/88/313299888.db2.gz NMUQSSQCYGILKD-BJLQDIEVSA-N 1 3 334.504 2.917 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000486089874 313334250 /nfs/dbraw/zinc/33/42/50/313334250.db2.gz FGNWPEWSLBSFRD-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000486089874 313334252 /nfs/dbraw/zinc/33/42/52/313334252.db2.gz FGNWPEWSLBSFRD-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO CN1CCC(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000486912761 313346665 /nfs/dbraw/zinc/34/66/65/313346665.db2.gz MVXINFQMLKQJEU-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000487425182 313392490 /nfs/dbraw/zinc/39/24/90/313392490.db2.gz FJBVNWFDBRFFQM-OXQOHEQNSA-N 1 3 331.504 2.834 20 0 EFADHO CN(C)C/C=C\C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000491863294 313794373 /nfs/dbraw/zinc/79/43/73/313794373.db2.gz DEJJUUCJUAZVEO-FLIBITNWSA-N 1 3 329.488 2.797 20 0 EFADHO CN(C)C/C=C\C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000491966525 313826466 /nfs/dbraw/zinc/82/64/66/313826466.db2.gz WBBLCBYEKAFSOW-YFHOEESVSA-N 1 3 344.503 2.521 20 0 EFADHO CN(C)C/C=C/C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000492894755 314167380 /nfs/dbraw/zinc/16/73/80/314167380.db2.gz OMNORWGRKYBKTH-RMKNXTFCSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000495099483 314669019 /nfs/dbraw/zinc/66/90/19/314669019.db2.gz RHCJFLUAHSRNKU-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC2CC([NH+]3CCCCC3)C2)C1 ZINC000496437448 315066553 /nfs/dbraw/zinc/06/65/53/315066553.db2.gz ROLQJFQEFCPSGQ-QVUWHDNHSA-N 1 3 349.519 2.850 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000496494591 315087282 /nfs/dbraw/zinc/08/72/82/315087282.db2.gz RVZYPMVRHFHQSX-LZWOXQAQSA-N 1 3 348.491 2.756 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000496494592 315087322 /nfs/dbraw/zinc/08/73/22/315087322.db2.gz RVZYPMVRHFHQSX-YCPHGPKFSA-N 1 3 348.491 2.756 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496631896 315137536 /nfs/dbraw/zinc/13/75/36/315137536.db2.gz IRSAVJUXSGTCIY-YJBOKZPZSA-N 1 3 325.497 2.565 20 0 EFADHO CC[NH+](CC)CCCNC[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496631896 315137537 /nfs/dbraw/zinc/13/75/37/315137537.db2.gz IRSAVJUXSGTCIY-YJBOKZPZSA-N 1 3 325.497 2.565 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000496793222 315198308 /nfs/dbraw/zinc/19/83/08/315198308.db2.gz KSYZYLQXGWGHTN-XHSDSOJGSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000496793222 315198312 /nfs/dbraw/zinc/19/83/12/315198312.db2.gz KSYZYLQXGWGHTN-XHSDSOJGSA-N 1 3 327.513 2.952 20 0 EFADHO C[NH+](C)CC1CCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496855633 315221271 /nfs/dbraw/zinc/22/12/71/315221271.db2.gz QAUHFISZFAYTFB-LPHOPBHVSA-N 1 3 337.508 2.517 20 0 EFADHO O=C1O[C@]2(CN1CN1CCC[C@@H]1C1CCCC1)C[NH+]1CCC2CC1 ZINC000497033654 315285521 /nfs/dbraw/zinc/28/55/21/315285521.db2.gz CDFIDFJZVXPWBD-MJGOQNOKSA-N 1 3 333.476 2.515 20 0 EFADHO C[C@H]1CN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000497032662 315285582 /nfs/dbraw/zinc/28/55/82/315285582.db2.gz GPWIOAFQYBCRPP-LPHOPBHVSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1N ZINC000497032662 315285585 /nfs/dbraw/zinc/28/55/85/315285585.db2.gz GPWIOAFQYBCRPP-LPHOPBHVSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@@H]1N ZINC000497032662 315285586 /nfs/dbraw/zinc/28/55/86/315285586.db2.gz GPWIOAFQYBCRPP-LPHOPBHVSA-N 1 3 345.487 2.704 20 0 EFADHO CCCN1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497100059 315309366 /nfs/dbraw/zinc/30/93/66/315309366.db2.gz GICDGTPQKVQOLU-OAHLLOKOSA-N 1 3 325.497 2.613 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497100058 315309418 /nfs/dbraw/zinc/30/94/18/315309418.db2.gz GICDGTPQKVQOLU-HNNXBMFYSA-N 1 3 325.497 2.613 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC000497142246 315325085 /nfs/dbraw/zinc/32/50/85/315325085.db2.gz FTGDCRBIBSBLGL-LSTHTHJFSA-N 1 3 349.519 2.661 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC000497142246 315325088 /nfs/dbraw/zinc/32/50/88/315325088.db2.gz FTGDCRBIBSBLGL-LSTHTHJFSA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)C[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173559 315337431 /nfs/dbraw/zinc/33/74/31/315337431.db2.gz VMEHCULKORUFBY-CVEARBPZSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173559 315337432 /nfs/dbraw/zinc/33/74/32/315337432.db2.gz VMEHCULKORUFBY-CVEARBPZSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173559 315337434 /nfs/dbraw/zinc/33/74/34/315337434.db2.gz VMEHCULKORUFBY-CVEARBPZSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173561 315337461 /nfs/dbraw/zinc/33/74/61/315337461.db2.gz VMEHCULKORUFBY-HZPDHXFCSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173561 315337463 /nfs/dbraw/zinc/33/74/63/315337463.db2.gz VMEHCULKORUFBY-HZPDHXFCSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173561 315337465 /nfs/dbraw/zinc/33/74/65/315337465.db2.gz VMEHCULKORUFBY-HZPDHXFCSA-N 1 3 339.524 3.000 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000497261403 315370698 /nfs/dbraw/zinc/37/06/98/315370698.db2.gz MOBROVRFNYYTEZ-IAGOWNOFSA-N 1 3 331.460 2.772 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC000497261405 315370751 /nfs/dbraw/zinc/37/07/51/315370751.db2.gz MOBROVRFNYYTEZ-SJORKVTESA-N 1 3 331.460 2.772 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000502159564 315432130 /nfs/dbraw/zinc/43/21/30/315432130.db2.gz YOWRKLSSDSSDAT-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000505728153 315464286 /nfs/dbraw/zinc/46/42/86/315464286.db2.gz YCCNMVVKENTRNH-MJGOQNOKSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000507939661 315490509 /nfs/dbraw/zinc/49/05/09/315490509.db2.gz RLNXMGOZLVUVKM-IHPCNDPISA-N 1 3 345.531 2.691 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H]1C ZINC000512293180 315522795 /nfs/dbraw/zinc/52/27/95/315522795.db2.gz DBMXUBHQMJUTKV-BWPNAZKDSA-N 1 3 345.531 2.690 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000515223640 315602282 /nfs/dbraw/zinc/60/22/82/315602282.db2.gz WZSGYQVYKWBVBN-MOPGFXCFSA-N 1 3 344.503 2.690 20 0 EFADHO CC1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[NH2+]CC1 ZINC000517718462 315776377 /nfs/dbraw/zinc/77/63/77/315776377.db2.gz XZMRMXPEVAYFOS-GOSISDBHSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000517932055 315788421 /nfs/dbraw/zinc/78/84/21/315788421.db2.gz ATSDBXVCIQACIG-XHSDSOJGSA-N 1 3 332.492 2.637 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000522605979 316093833 /nfs/dbraw/zinc/09/38/33/316093833.db2.gz VPNLGAPDLRUHKC-INIZCTEOSA-N 1 3 328.545 2.582 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCCN(CC)C2CC2)CC1 ZINC000523914442 316141973 /nfs/dbraw/zinc/14/19/73/316141973.db2.gz GJFJCNXKDCHVFI-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCCN(CC)C2CC2)CC1 ZINC000523914442 316141975 /nfs/dbraw/zinc/14/19/75/316141975.db2.gz GJFJCNXKDCHVFI-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CCC1CCCCC1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524921046 316181748 /nfs/dbraw/zinc/18/17/48/316181748.db2.gz PWHBDYBLOQRXBZ-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CSc1cccc(C)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000527131714 316338126 /nfs/dbraw/zinc/33/81/26/316338126.db2.gz DTSOFCUJTXWNKZ-UHFFFAOYSA-N 1 3 338.521 2.674 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527348324 316372056 /nfs/dbraw/zinc/37/20/56/316372056.db2.gz PKEHPISROOZSEK-IEBWSBKVSA-N 1 3 327.476 2.649 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527348324 316372059 /nfs/dbraw/zinc/37/20/59/316372059.db2.gz PKEHPISROOZSEK-IEBWSBKVSA-N 1 3 327.476 2.649 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000530219403 317083470 /nfs/dbraw/zinc/08/34/70/317083470.db2.gz LRUQYCJGXDAVOA-KRWDZBQOSA-N 1 3 347.890 2.819 20 0 EFADHO CO[C@H](CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000530226167 317084640 /nfs/dbraw/zinc/08/46/40/317084640.db2.gz QGLRQYCMXWJDMD-CEXWTWQISA-N 1 3 336.451 2.732 20 0 EFADHO CCSCc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000531357095 317255190 /nfs/dbraw/zinc/25/51/90/317255190.db2.gz SFTPRJCAEJMGTK-UHFFFAOYSA-N 1 3 337.533 2.505 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3c2cccc3Cl)CC1 ZINC000531715801 317303724 /nfs/dbraw/zinc/30/37/24/317303724.db2.gz WLUKCYOGCLQGBW-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963110 317337030 /nfs/dbraw/zinc/33/70/30/317337030.db2.gz CXUSKTXZTITZTI-KXBFYZLASA-N 1 3 338.455 2.764 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963110 317337034 /nfs/dbraw/zinc/33/70/34/317337034.db2.gz CXUSKTXZTITZTI-KXBFYZLASA-N 1 3 338.455 2.764 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000532249878 317374789 /nfs/dbraw/zinc/37/47/89/317374789.db2.gz SMDUSMCTVSRQKJ-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C2CCC1CC2 ZINC000532466958 317405124 /nfs/dbraw/zinc/40/51/24/317405124.db2.gz YOIUHKAOPUAPJG-PBPGXSGUSA-N 1 3 341.499 2.783 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532520613 317410185 /nfs/dbraw/zinc/41/01/85/317410185.db2.gz HMUASUDNUKLPAN-IEBWSBKVSA-N 1 3 345.535 2.936 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2CCCC2)CC1 ZINC000533073824 317469183 /nfs/dbraw/zinc/46/91/83/317469183.db2.gz CSJOPZAWNGWCLL-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000543678585 317858248 /nfs/dbraw/zinc/85/82/48/317858248.db2.gz WTNKFHYIUBUNRW-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548392128 318102662 /nfs/dbraw/zinc/10/26/62/318102662.db2.gz NVYUZCQTHLRLJD-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548392128 318102666 /nfs/dbraw/zinc/10/26/66/318102666.db2.gz NVYUZCQTHLRLJD-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H](NCCOC[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483478 318113156 /nfs/dbraw/zinc/11/31/56/318113156.db2.gz UVKYJZFHROAZEW-YSIASYRMSA-N 1 3 332.488 2.682 20 0 EFADHO C[C@H](NCCOC[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483478 318113158 /nfs/dbraw/zinc/11/31/58/318113158.db2.gz UVKYJZFHROAZEW-YSIASYRMSA-N 1 3 332.488 2.682 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000548880930 318153171 /nfs/dbraw/zinc/15/31/71/318153171.db2.gz VDMWREGITMZEIV-DFQSSKMNSA-N 1 3 332.488 2.922 20 0 EFADHO CN(C)C[C@H](NC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000549617716 318178531 /nfs/dbraw/zinc/17/85/31/318178531.db2.gz VCXDBYOCZQGKGM-INIZCTEOSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000552098412 318242090 /nfs/dbraw/zinc/24/20/90/318242090.db2.gz BRUBWHVEHCQHTK-FHWLQOOXSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](CCc1ccc(F)cc1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279521 318251027 /nfs/dbraw/zinc/25/10/27/318251027.db2.gz OZOTWTGSHPZYPS-QGZVFWFLSA-N 1 3 349.494 2.729 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061263 318269520 /nfs/dbraw/zinc/26/95/20/318269520.db2.gz XFQMHXOWMUNDCL-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061263 318269522 /nfs/dbraw/zinc/26/95/22/318269522.db2.gz XFQMHXOWMUNDCL-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000554881576 318339088 /nfs/dbraw/zinc/33/90/88/318339088.db2.gz AKAVONGFRKGDPS-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000554881576 318339091 /nfs/dbraw/zinc/33/90/91/318339091.db2.gz AKAVONGFRKGDPS-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000554881576 318339094 /nfs/dbraw/zinc/33/90/94/318339094.db2.gz AKAVONGFRKGDPS-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)no1 ZINC000554888319 318339592 /nfs/dbraw/zinc/33/95/92/318339592.db2.gz BVWOQWWQIBFGQG-RDTXWAMCSA-N 1 3 344.459 2.729 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)no1 ZINC000554888319 318339593 /nfs/dbraw/zinc/33/95/93/318339593.db2.gz BVWOQWWQIBFGQG-RDTXWAMCSA-N 1 3 344.459 2.729 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556584541 318394256 /nfs/dbraw/zinc/39/42/56/318394256.db2.gz WJRGARKQGZUFKX-WOJBJXKFSA-N 1 3 345.531 2.850 20 0 EFADHO C[C@@H](CCNCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000560545550 318564811 /nfs/dbraw/zinc/56/48/11/318564811.db2.gz NSYGHNNJZKTWTK-SFHVURJKSA-N 1 3 331.504 2.762 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CCNC3)c1 ZINC000561055681 318584931 /nfs/dbraw/zinc/58/49/31/318584931.db2.gz XFPINJRGWVBSDL-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO CC1CC[NH+](CCCNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000562770812 318697967 /nfs/dbraw/zinc/69/79/67/318697967.db2.gz RZYJIWKGBHZIRT-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000562797088 318701247 /nfs/dbraw/zinc/70/12/47/318701247.db2.gz UBKDFQICHVTWCG-RBUKOAKNSA-N 1 3 344.503 2.655 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(CC[NH3+])CC1 ZINC000563340060 318770240 /nfs/dbraw/zinc/77/02/40/318770240.db2.gz ZWDHKARAWQCSGD-UHFFFAOYSA-N 1 3 329.444 2.695 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000564726311 318885607 /nfs/dbraw/zinc/88/56/07/318885607.db2.gz OGMVODZDCWIPIF-YSIASYRMSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000565832519 319007326 /nfs/dbraw/zinc/00/73/26/319007326.db2.gz YOVVKRPDHZXZGQ-MAUKXSAKSA-N 1 3 338.455 2.952 20 0 EFADHO O=C1NCC[C@]12CCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565900214 319013348 /nfs/dbraw/zinc/01/33/48/319013348.db2.gz HRURMPWJYJGXIL-HXUWFJFHSA-N 1 3 327.472 2.527 20 0 EFADHO c1ncn(-c2cccc(CN[C@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)n1 ZINC000565939173 319016427 /nfs/dbraw/zinc/01/64/27/319016427.db2.gz WQNFLMWIMUXUGI-ICSRJNTNSA-N 1 3 333.439 2.850 20 0 EFADHO c1ncn(-c2cccc(CN[C@@H]3CC[NH2+][C@H](c4ccccc4)C3)c2)n1 ZINC000565939174 319016435 /nfs/dbraw/zinc/01/64/35/319016435.db2.gz WQNFLMWIMUXUGI-QUCCMNQESA-N 1 3 333.439 2.850 20 0 EFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000565946376 319017223 /nfs/dbraw/zinc/01/72/23/319017223.db2.gz PMFKMFLQDGJMDC-FQEVSTJZSA-N 1 3 334.504 2.938 20 0 EFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000565946376 319017225 /nfs/dbraw/zinc/01/72/25/319017225.db2.gz PMFKMFLQDGJMDC-FQEVSTJZSA-N 1 3 334.504 2.938 20 0 EFADHO c1ncn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000566091078 319031199 /nfs/dbraw/zinc/03/11/99/319031199.db2.gz LTWGZBIJCBEFTA-GBESFXJTSA-N 1 3 325.460 2.668 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccccc1 ZINC000566092263 319031495 /nfs/dbraw/zinc/03/14/95/319031495.db2.gz VRJPTUAXRCLJSZ-QSPRXWTASA-N 1 3 325.460 2.614 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000566167648 319042655 /nfs/dbraw/zinc/04/26/55/319042655.db2.gz CIRMGMYHMZVYSF-HOTGVXAUSA-N 1 3 329.488 2.662 20 0 EFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000566298939 319059623 /nfs/dbraw/zinc/05/96/23/319059623.db2.gz KUKFKZWFPFMENR-QGZVFWFLSA-N 1 3 335.492 2.980 20 0 EFADHO Fc1cccc([C@@H]2CNCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000566351482 319065593 /nfs/dbraw/zinc/06/55/93/319065593.db2.gz LMZOEIBPQWCPPC-FQEVSTJZSA-N 1 3 325.431 2.618 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H](C)[NH3+] ZINC000566622025 319095914 /nfs/dbraw/zinc/09/59/14/319095914.db2.gz OQSCDUSTBOQZAQ-APWZRJJASA-N 1 3 346.519 2.766 20 0 EFADHO CC[C@@H]1CCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566628212 319096537 /nfs/dbraw/zinc/09/65/37/319096537.db2.gz AVCVMXMJFYWAFT-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000566791426 319110779 /nfs/dbraw/zinc/11/07/79/319110779.db2.gz BHDNKGFKPFBPSX-MBOZVWFJSA-N 1 3 334.504 2.652 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000566794733 319111455 /nfs/dbraw/zinc/11/14/55/319111455.db2.gz CWWGCVPVOKWNMG-ZWKOTPCHSA-N 1 3 345.874 2.629 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000566915122 319121810 /nfs/dbraw/zinc/12/18/10/319121810.db2.gz GGJFYQHHFFJOKO-VQTJNVASSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000567112950 319139995 /nfs/dbraw/zinc/13/99/95/319139995.db2.gz MCGUCTRTZKPHEA-XLIONFOSSA-N 1 3 343.515 2.840 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000567123432 319141333 /nfs/dbraw/zinc/14/13/33/319141333.db2.gz HNPCCSXOOYXIDJ-MCIONIFRSA-N 1 3 338.293 2.887 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000567343993 319162050 /nfs/dbraw/zinc/16/20/50/319162050.db2.gz MZYIMKFDEGDOPK-AOIWGVFYSA-N 1 3 340.446 2.882 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365192 319164889 /nfs/dbraw/zinc/16/48/89/319164889.db2.gz OKJWDVHZTOPJHR-VQIMIIECSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365192 319164892 /nfs/dbraw/zinc/16/48/92/319164892.db2.gz OKJWDVHZTOPJHR-VQIMIIECSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365192 319164893 /nfs/dbraw/zinc/16/48/93/319164893.db2.gz OKJWDVHZTOPJHR-VQIMIIECSA-N 1 3 328.456 2.621 20 0 EFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000567391028 319167270 /nfs/dbraw/zinc/16/72/70/319167270.db2.gz OUTLQODPVNBXOI-SFHVURJKSA-N 1 3 347.528 2.749 20 0 EFADHO N[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000567609608 319188441 /nfs/dbraw/zinc/18/84/41/319188441.db2.gz RVQUTPNASGTFOK-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000567648449 319192176 /nfs/dbraw/zinc/19/21/76/319192176.db2.gz YUROMULYKOMWRI-DOMZBBRYSA-N 1 3 334.851 2.910 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680811 319195912 /nfs/dbraw/zinc/19/59/12/319195912.db2.gz GAAHFHVHNLGJFS-AEFFLSMTSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680811 319195915 /nfs/dbraw/zinc/19/59/15/319195915.db2.gz GAAHFHVHNLGJFS-AEFFLSMTSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680811 319195918 /nfs/dbraw/zinc/19/59/18/319195918.db2.gz GAAHFHVHNLGJFS-AEFFLSMTSA-N 1 3 340.895 2.539 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CCC(C)C)CC1 ZINC000567725714 319203782 /nfs/dbraw/zinc/20/37/82/319203782.db2.gz GOIGTZHHBXCXFQ-OAQYLSRUSA-N 1 3 347.547 2.711 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000567752270 319207947 /nfs/dbraw/zinc/20/79/47/319207947.db2.gz DNVNAIBUMADXHL-STQMWFEESA-N 1 3 339.867 2.845 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000567752270 319207950 /nfs/dbraw/zinc/20/79/50/319207950.db2.gz DNVNAIBUMADXHL-STQMWFEESA-N 1 3 339.867 2.845 20 0 EFADHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CCCC[NH3+] ZINC000567818774 319214412 /nfs/dbraw/zinc/21/44/12/319214412.db2.gz WACRNPYFIKYUKR-UHFFFAOYSA-N 1 3 345.409 2.725 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000567867963 319219974 /nfs/dbraw/zinc/21/99/74/319219974.db2.gz AKCZCTCRWZTTJW-GOSISDBHSA-N 1 3 332.492 2.820 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCCCC[NH2+]1 ZINC000567965560 319231332 /nfs/dbraw/zinc/23/13/32/319231332.db2.gz OSEQGUIZYAMTFU-NVXWUHKLSA-N 1 3 335.517 2.609 20 0 EFADHO CC[N@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000568164344 319251836 /nfs/dbraw/zinc/25/18/36/319251836.db2.gz QIEOUVWXNOESNM-OAHLLOKOSA-N 1 3 343.309 2.672 20 0 EFADHO CC[N@@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000568164344 319251838 /nfs/dbraw/zinc/25/18/38/319251838.db2.gz QIEOUVWXNOESNM-OAHLLOKOSA-N 1 3 343.309 2.672 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1CCC(C)(C)C1 ZINC000568192781 319256181 /nfs/dbraw/zinc/25/61/81/319256181.db2.gz TVSFGUKKLCZTTM-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCCC[C@@H]1C ZINC000568193133 319256651 /nfs/dbraw/zinc/25/66/51/319256651.db2.gz BMWSMVVMSRSBNN-DLBZAZTESA-N 1 3 331.504 2.783 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)nc3)CC2)CC1 ZINC000568195835 319256937 /nfs/dbraw/zinc/25/69/37/319256937.db2.gz SHOUUJHVBXOSAJ-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)N2CCCC2)cc1 ZINC000568370821 319276857 /nfs/dbraw/zinc/27/68/57/319276857.db2.gz RFWRIIIWUQUWBK-QRQLOZEOSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000568383491 319278115 /nfs/dbraw/zinc/27/81/15/319278115.db2.gz OCCBSQLDTGUVMJ-GUYCJALGSA-N 1 3 342.405 2.849 20 0 EFADHO COc1cc2nccc(NC[C@H]3CC[N@@H+](C(C)C)C3)c2cc1OC ZINC000568484965 319288118 /nfs/dbraw/zinc/28/81/18/319288118.db2.gz XXHBESCXBNJDNN-CQSZACIVSA-N 1 3 329.444 2.816 20 0 EFADHO COc1cc2nccc(NC[C@H]3CC[N@H+](C(C)C)C3)c2cc1OC ZINC000568484965 319288120 /nfs/dbraw/zinc/28/81/20/319288120.db2.gz XXHBESCXBNJDNN-CQSZACIVSA-N 1 3 329.444 2.816 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000568591793 319297492 /nfs/dbraw/zinc/29/74/92/319297492.db2.gz FLGDCGOHAUIWOF-HGKCTWBKSA-N 1 3 332.488 2.689 20 0 EFADHO CC(C)(C(=O)Nc1ccc2c(c1)CNCCO2)[C@@H]([NH3+])c1ccccc1 ZINC000568608625 319300823 /nfs/dbraw/zinc/30/08/23/319300823.db2.gz PBZMQOURJYXBJO-SFHVURJKSA-N 1 3 339.439 2.833 20 0 EFADHO Cc1ccc(SCC[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000568739919 319313343 /nfs/dbraw/zinc/31/33/43/319313343.db2.gz YFDFYNMFXFWJKN-QGZVFWFLSA-N 1 3 345.516 2.783 20 0 EFADHO Cc1ccc(SCC[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1C ZINC000568739919 319313345 /nfs/dbraw/zinc/31/33/45/319313345.db2.gz YFDFYNMFXFWJKN-QGZVFWFLSA-N 1 3 345.516 2.783 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000568756893 319316121 /nfs/dbraw/zinc/31/61/21/319316121.db2.gz WHEQJIPRIAKZGP-IBGZPJMESA-N 1 3 331.504 2.525 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000568756893 319316124 /nfs/dbraw/zinc/31/61/24/319316124.db2.gz WHEQJIPRIAKZGP-IBGZPJMESA-N 1 3 331.504 2.525 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000568873731 319326968 /nfs/dbraw/zinc/32/69/68/319326968.db2.gz JTKCUKYDPGFRLW-SWLSCSKDSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568873731 319326970 /nfs/dbraw/zinc/32/69/70/319326970.db2.gz JTKCUKYDPGFRLW-SWLSCSKDSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569101399 319348285 /nfs/dbraw/zinc/34/82/85/319348285.db2.gz OIUOALYYEXJUBH-INIZCTEOSA-N 1 3 329.488 2.675 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc2c1CCNC2 ZINC000569202078 319357218 /nfs/dbraw/zinc/35/72/18/319357218.db2.gz PJMGYBPQEJGEFD-UHFFFAOYSA-N 1 3 332.492 2.918 20 0 EFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569376196 319375758 /nfs/dbraw/zinc/37/57/58/319375758.db2.gz QSTQHUFGQKRHHZ-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569376196 319375760 /nfs/dbraw/zinc/37/57/60/319375760.db2.gz QSTQHUFGQKRHHZ-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000569457679 319382259 /nfs/dbraw/zinc/38/22/59/319382259.db2.gz MKCJYVNPBDZRBC-ATZDWAIDSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@@]1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000569694279 319405363 /nfs/dbraw/zinc/40/53/63/319405363.db2.gz GNMVMQDFRIKKDX-AZUAARDMSA-N 1 3 344.503 2.512 20 0 EFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000569888942 319424001 /nfs/dbraw/zinc/42/40/01/319424001.db2.gz GUTJHSWOULENOC-AYOQOUSVSA-N 1 3 335.536 2.780 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](N4CCCC4)C3)ccc21 ZINC000571378588 319567500 /nfs/dbraw/zinc/56/75/00/319567500.db2.gz ZQPBVZHHOXFJMW-PKOBYXMFSA-N 1 3 342.487 2.938 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000572363876 319662510 /nfs/dbraw/zinc/66/25/10/319662510.db2.gz JUBHVDUZGWSARH-CQSZACIVSA-N 1 3 327.428 2.661 20 0 EFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000573319646 319754439 /nfs/dbraw/zinc/75/44/39/319754439.db2.gz WKHGOMHBWYVXPT-OWCLPIDISA-N 1 3 335.517 2.635 20 0 EFADHO CCOCC[C@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000573675989 319787970 /nfs/dbraw/zinc/78/79/70/319787970.db2.gz FXIZGMXYHAMCKZ-FQEVSTJZSA-N 1 3 334.504 2.796 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000573902331 319809552 /nfs/dbraw/zinc/80/95/52/319809552.db2.gz AOBGABLQIYLBFG-VQTJNVASSA-N 1 3 340.471 2.591 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000574179248 319838761 /nfs/dbraw/zinc/83/87/61/319838761.db2.gz DGXVQFKGOOQCAF-QRQLOZEOSA-N 1 3 344.503 2.511 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000574524710 319870763 /nfs/dbraw/zinc/87/07/63/319870763.db2.gz HNBDRZXKJJIDKK-CVEARBPZSA-N 1 3 331.504 2.876 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC000575816851 319956700 /nfs/dbraw/zinc/95/67/00/319956700.db2.gz XSQMLKRZSVHLRG-KZNAEPCWSA-N 1 3 337.895 2.573 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000576277624 320000779 /nfs/dbraw/zinc/00/07/79/320000779.db2.gz JQGOBFIVQAUJGG-WQDJSCAQSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000576277624 320000780 /nfs/dbraw/zinc/00/07/80/320000780.db2.gz JQGOBFIVQAUJGG-WQDJSCAQSA-N 1 3 341.499 2.737 20 0 EFADHO Cc1noc(C)c1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000576506713 320021954 /nfs/dbraw/zinc/02/19/54/320021954.db2.gz BBWOABVJJNMUOH-MJGOQNOKSA-N 1 3 327.428 2.679 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000576736986 320043917 /nfs/dbraw/zinc/04/39/17/320043917.db2.gz FBHYVUGJLSNGOB-OTVXOJSOSA-N 1 3 349.441 2.640 20 0 EFADHO c1nnc([C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2)[nH]1 ZINC000576802021 320049577 /nfs/dbraw/zinc/04/95/77/320049577.db2.gz DAIOBHSZJVMTHU-IBGZPJMESA-N 1 3 348.454 2.590 20 0 EFADHO CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000576886719 320057773 /nfs/dbraw/zinc/05/77/73/320057773.db2.gz NNDAFJYQQOZSDU-YSTOQKLRSA-N 1 3 331.504 2.526 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCN(C2CCC2)C1 ZINC000577077335 320076004 /nfs/dbraw/zinc/07/60/04/320076004.db2.gz ZKFVYXUEQKBMEC-KRWDZBQOSA-N 1 3 343.515 2.737 20 0 EFADHO CSC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577115554 320078804 /nfs/dbraw/zinc/07/88/04/320078804.db2.gz SMDLTNXBRVOTTL-CABCVRRESA-N 1 3 328.547 2.534 20 0 EFADHO CSC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577115554 320078805 /nfs/dbraw/zinc/07/88/05/320078805.db2.gz SMDLTNXBRVOTTL-CABCVRRESA-N 1 3 328.547 2.534 20 0 EFADHO [NH3+][C@@H](CCC(=O)Nc1ccc2c(c1)CNCCO2)c1ccccc1 ZINC000577164525 320083349 /nfs/dbraw/zinc/08/33/49/320083349.db2.gz GKVIWKSDNSDCHJ-KRWDZBQOSA-N 1 3 325.412 2.587 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000577230785 320091301 /nfs/dbraw/zinc/09/13/01/320091301.db2.gz YYBYEERQJYZZTL-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO c1ccc(C[C@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000577601886 320125947 /nfs/dbraw/zinc/12/59/47/320125947.db2.gz ALEGRCJGIOENHM-QZTJIDSGSA-N 1 3 339.487 2.773 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N)CC3 ZINC000577620229 320128126 /nfs/dbraw/zinc/12/81/26/320128126.db2.gz USOTWQQJGJAWGS-MJPMAJQWSA-N 1 3 327.472 2.676 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577733834 320139052 /nfs/dbraw/zinc/13/90/52/320139052.db2.gz FSPNJCCLIOBEQJ-APWZRJJASA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000577856472 320151680 /nfs/dbraw/zinc/15/16/80/320151680.db2.gz MYHZDLQPYWFBAC-HNAYVOBHSA-N 1 3 338.455 2.812 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578121785 320175500 /nfs/dbraw/zinc/17/55/00/320175500.db2.gz OISAXNMXGUOITB-NEPXVJNWSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000578121783 320175544 /nfs/dbraw/zinc/17/55/44/320175544.db2.gz OISAXNMXGUOITB-FPAYPSAMSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000578353454 320198670 /nfs/dbraw/zinc/19/86/70/320198670.db2.gz FUTIAVQBOJABPX-HLIPFELVSA-N 1 3 343.515 2.748 20 0 EFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCCC1 ZINC000578621420 320223162 /nfs/dbraw/zinc/22/31/62/320223162.db2.gz OHPOERWFMZRVPJ-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(N2CCCC2)n1 ZINC000578684592 320228908 /nfs/dbraw/zinc/22/89/08/320228908.db2.gz MOFVURYNQQXMFR-UHFFFAOYSA-N 1 3 328.504 2.954 20 0 EFADHO CC1(C)CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000578725833 320232750 /nfs/dbraw/zinc/23/27/50/320232750.db2.gz LMOHLCNGUSIQMI-GOSISDBHSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000578741741 320235056 /nfs/dbraw/zinc/23/50/56/320235056.db2.gz ZODUVYIAWZJEIL-YTQUADARSA-N 1 3 344.503 2.735 20 0 EFADHO CCOC(=O)C1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181130072 323227986 /nfs/dbraw/zinc/22/79/86/323227986.db2.gz VMJGSOFZYKVQIS-MRLCAUJQSA-N 1 3 340.508 2.587 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181493779 323236103 /nfs/dbraw/zinc/23/61/03/323236103.db2.gz HOXZUGUPYSJRPF-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C1(C)C ZINC000181492418 323236517 /nfs/dbraw/zinc/23/65/17/323236517.db2.gz LSSNJZRBGWDRJK-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCC2 ZINC000182091149 323263134 /nfs/dbraw/zinc/26/31/34/323263134.db2.gz LZQIUFXNOREJBA-QZTJIDSGSA-N 1 3 347.503 2.849 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCC2 ZINC000182091128 323263444 /nfs/dbraw/zinc/26/34/44/323263444.db2.gz LZQIUFXNOREJBA-ROUUACIJSA-N 1 3 347.503 2.849 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1nccn1C ZINC000183499063 323338665 /nfs/dbraw/zinc/33/86/65/323338665.db2.gz CTPKGUHNBTYBNY-QGZVFWFLSA-N 1 3 342.487 2.788 20 0 EFADHO CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000183567300 323341318 /nfs/dbraw/zinc/34/13/18/323341318.db2.gz RZXYGRASSUCXKP-FPOVZHCZSA-N 1 3 345.531 2.554 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000296536042 323546007 /nfs/dbraw/zinc/54/60/07/323546007.db2.gz IQGHNKOOYGHBCC-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000381615062 323743764 /nfs/dbraw/zinc/74/37/64/323743764.db2.gz PZPONDHTRNHQRY-LSDHHAIUSA-N 1 3 348.491 2.942 20 0 EFADHO OC[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000579341971 323936865 /nfs/dbraw/zinc/93/68/65/323936865.db2.gz HYCXGRNAKZBOFK-CMKODMSKSA-N 1 3 330.472 2.773 20 0 EFADHO C[C@H](CNC[C@@H](O)CO[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000579701079 324014296 /nfs/dbraw/zinc/01/42/96/324014296.db2.gz VSLJMGBJBAQWHE-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)CN1CCCC1 ZINC000579701079 324014297 /nfs/dbraw/zinc/01/42/97/324014297.db2.gz VSLJMGBJBAQWHE-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000579706155 324015760 /nfs/dbraw/zinc/01/57/60/324015760.db2.gz ZFVMQCUQQSMMAB-PKOBYXMFSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000579706155 324015765 /nfs/dbraw/zinc/01/57/65/324015765.db2.gz ZFVMQCUQQSMMAB-PKOBYXMFSA-N 1 3 331.504 2.575 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC3(C)C)CC2)CC1 ZINC000579819422 324038287 /nfs/dbraw/zinc/03/82/87/324038287.db2.gz GSEYUEZCWGGUFG-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000579827867 324040063 /nfs/dbraw/zinc/04/00/63/324040063.db2.gz XTCYVNMCMVTIQU-HOTGVXAUSA-N 1 3 340.895 2.790 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000579827869 324040081 /nfs/dbraw/zinc/04/00/81/324040081.db2.gz XTCYVNMCMVTIQU-JKSUJKDBSA-N 1 3 340.895 2.790 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)CC(C)C ZINC000579833789 324041791 /nfs/dbraw/zinc/04/17/91/324041791.db2.gz HUPFQSRDXVALLH-MJGOQNOKSA-N 1 3 331.504 2.746 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000579941906 324062318 /nfs/dbraw/zinc/06/23/18/324062318.db2.gz LSZLOYWRCSBTND-MJUUVYJYSA-N 1 3 345.531 2.802 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)Nc1cccc2c1CCNC2 ZINC000580051530 324086624 /nfs/dbraw/zinc/08/66/24/324086624.db2.gz WMRYXXNBCAROBF-UHFFFAOYSA-N 1 3 332.492 2.966 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000580772079 324231715 /nfs/dbraw/zinc/23/17/15/324231715.db2.gz UEJNQKUNBCTOKS-JFIYKMOQSA-N 1 3 349.544 2.984 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000581061839 324297162 /nfs/dbraw/zinc/29/71/62/324297162.db2.gz RKOOVAOTLKYEHX-GOSISDBHSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000581126433 324309901 /nfs/dbraw/zinc/30/99/01/324309901.db2.gz LSBXJGLVCXIDML-CVEARBPZSA-N 1 3 340.895 2.710 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000581127264 324310488 /nfs/dbraw/zinc/31/04/88/324310488.db2.gz USSDEPBXIRKENV-UZLBHIALSA-N 1 3 340.467 2.820 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)CN(C)C(C)C)[NH+](C)C)cc1 ZINC000581152900 324315998 /nfs/dbraw/zinc/31/59/98/324315998.db2.gz YPTNMBQEQJWOCA-LJQANCHMSA-N 1 3 333.520 2.944 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC000581380374 324365221 /nfs/dbraw/zinc/36/52/21/324365221.db2.gz RPYYCMVFUCXOKR-KZNAEPCWSA-N 1 3 337.895 2.573 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000581476073 324387005 /nfs/dbraw/zinc/38/70/05/324387005.db2.gz HDXMAHSCDRGFAE-AZUAARDMSA-N 1 3 330.520 2.725 20 0 EFADHO CCc1cccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000581493440 324391756 /nfs/dbraw/zinc/39/17/56/324391756.db2.gz TZTZZEAOCGBXHH-UHFFFAOYSA-N 1 3 339.483 2.830 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1cccc(Cl)c1Cl ZINC000582295419 324562951 /nfs/dbraw/zinc/56/29/51/324562951.db2.gz IAUTWEADJVOSRR-LOWVWBTDSA-N 1 3 333.259 2.714 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000582737665 324660906 /nfs/dbraw/zinc/66/09/06/324660906.db2.gz UBJLXHAVQHYFRG-GOSISDBHSA-N 1 3 346.519 2.667 20 0 EFADHO C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000582760708 324662787 /nfs/dbraw/zinc/66/27/87/324662787.db2.gz KSDLYOBXLAEYNJ-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C1 ZINC000582952330 324705921 /nfs/dbraw/zinc/70/59/21/324705921.db2.gz SOZMHRLIPFBQNR-HZPDHXFCSA-N 1 3 346.500 2.857 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000137468824 473206024 /nfs/dbraw/zinc/20/60/24/473206024.db2.gz AGTSPIUVYWAYLO-YLJYHZDGSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC[C@H](C)C1 ZINC000042909536 472181615 /nfs/dbraw/zinc/18/16/15/472181615.db2.gz KEKVNRDLNIVGCW-GJZGRUSLSA-N 1 3 338.540 2.715 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)CCC2 ZINC000155655401 472589620 /nfs/dbraw/zinc/58/96/20/472589620.db2.gz YTCUTOSDXGUXNV-LSDHHAIUSA-N 1 3 336.549 2.699 20 0 EFADHO C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090178134 472607260 /nfs/dbraw/zinc/60/72/60/472607260.db2.gz ZLHAAKJBFPXBIL-WBVHZDCISA-N 1 3 347.503 2.677 20 0 EFADHO CC1CCN(CC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000137570634 473208676 /nfs/dbraw/zinc/20/86/76/473208676.db2.gz VQEPCDCLXXMGMZ-FQEVSTJZSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137570634 473208680 /nfs/dbraw/zinc/20/86/80/473208680.db2.gz VQEPCDCLXXMGMZ-FQEVSTJZSA-N 1 3 343.515 2.699 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000111444739 473212766 /nfs/dbraw/zinc/21/27/66/473212766.db2.gz DLAXJWDPQHYSCZ-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000124238020 473222535 /nfs/dbraw/zinc/22/25/35/473222535.db2.gz NELCWBMEKUOVSL-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000124238020 473222540 /nfs/dbraw/zinc/22/25/40/473222540.db2.gz NELCWBMEKUOVSL-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000124245671 473223385 /nfs/dbraw/zinc/22/33/85/473223385.db2.gz SDZGZZDCNHJGDP-FUHWJXTLSA-N 1 3 331.504 2.894 20 0 EFADHO CCCCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000095946243 473227664 /nfs/dbraw/zinc/22/76/64/473227664.db2.gz XAYKHZNSAYXDRD-UHFFFAOYSA-N 1 3 334.508 2.986 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CC)CC2)C1 ZINC000111801962 473228818 /nfs/dbraw/zinc/22/88/18/473228818.db2.gz KDXZMGNSTAWYNS-INIZCTEOSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CC)CC2)C1 ZINC000111801962 473228823 /nfs/dbraw/zinc/22/88/23/473228823.db2.gz KDXZMGNSTAWYNS-INIZCTEOSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000111832027 473230590 /nfs/dbraw/zinc/23/05/90/473230590.db2.gz CWGKODOUCNMTIT-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000124353809 473236714 /nfs/dbraw/zinc/23/67/14/473236714.db2.gz HGRAIUPETHGNRG-KGLIPLIRSA-N 1 3 334.460 2.847 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161638999 473250025 /nfs/dbraw/zinc/25/00/25/473250025.db2.gz GUOQHRNCLWCERX-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000124529879 473257243 /nfs/dbraw/zinc/25/72/43/473257243.db2.gz BGCNXENODIJKFJ-CVEARBPZSA-N 1 3 337.533 2.978 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 ZINC000171038622 473260383 /nfs/dbraw/zinc/26/03/83/473260383.db2.gz IQKSJZMVWLGLFZ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000112384525 473263276 /nfs/dbraw/zinc/26/32/76/473263276.db2.gz VLUUEYHZGJAMPS-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000112384525 473263281 /nfs/dbraw/zinc/26/32/81/473263281.db2.gz VLUUEYHZGJAMPS-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915586 473266562 /nfs/dbraw/zinc/26/65/62/473266562.db2.gz BUHKJBNYOFOUMD-HOJAQTOUSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915586 473266565 /nfs/dbraw/zinc/26/65/65/473266565.db2.gz BUHKJBNYOFOUMD-HOJAQTOUSA-N 1 3 334.504 2.757 20 0 EFADHO C[C@H]1C[C@@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@@H+]1C ZINC000532205196 468103221 /nfs/dbraw/zinc/10/32/21/468103221.db2.gz YULWCTCFEFLNAG-RDJZCZTQSA-N 1 3 325.460 2.628 20 0 EFADHO C[C@H]1C[C@@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@H+]1C ZINC000532205196 468103225 /nfs/dbraw/zinc/10/32/25/468103225.db2.gz YULWCTCFEFLNAG-RDJZCZTQSA-N 1 3 325.460 2.628 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000124997058 473339156 /nfs/dbraw/zinc/33/91/56/473339156.db2.gz AKSURMAJFFNEOC-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000083522111 473344878 /nfs/dbraw/zinc/34/48/78/473344878.db2.gz XMOIFMIRFNWIKF-CVEARBPZSA-N 1 3 325.497 2.848 20 0 EFADHO Cc1ccc(C(=O)NC2CC[NH+](CC[C@H]3CCCN3C)CC2)s1 ZINC000125053795 473348673 /nfs/dbraw/zinc/34/86/73/473348673.db2.gz SXFPXQQKPPUEEF-MRXNPFEDSA-N 1 3 335.517 2.735 20 0 EFADHO CC[N@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc(CN(C)C)cc1 ZINC000626061801 469488234 /nfs/dbraw/zinc/48/82/34/469488234.db2.gz VQXCZGJKWLVQEN-UHFFFAOYSA-N 1 3 344.459 2.895 20 0 EFADHO CC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc(CN(C)C)cc1 ZINC000626061801 469488239 /nfs/dbraw/zinc/48/82/39/469488239.db2.gz VQXCZGJKWLVQEN-UHFFFAOYSA-N 1 3 344.459 2.895 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)cc2cccnc21 ZINC000177379738 473367242 /nfs/dbraw/zinc/36/72/42/473367242.db2.gz IXDOVEVZFIERFN-UHFFFAOYSA-N 1 3 344.478 2.832 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000162648704 473365971 /nfs/dbraw/zinc/36/59/71/473365971.db2.gz FEFRIQGJHPVJBJ-UZLBHIALSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000162648704 473365976 /nfs/dbraw/zinc/36/59/76/473365976.db2.gz FEFRIQGJHPVJBJ-UZLBHIALSA-N 1 3 332.488 2.812 20 0 EFADHO COc1cc(OC)cc(OCCC[N@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000125176552 473368753 /nfs/dbraw/zinc/36/87/53/473368753.db2.gz DQAGFUBMPIOLOH-INIZCTEOSA-N 1 3 336.476 2.889 20 0 EFADHO COc1cc(OC)cc(OCCC[N@@H+](C)CC[C@@H]2CCCN2C)c1 ZINC000125176552 473368761 /nfs/dbraw/zinc/36/87/61/473368761.db2.gz DQAGFUBMPIOLOH-INIZCTEOSA-N 1 3 336.476 2.889 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000150946673 473385069 /nfs/dbraw/zinc/38/50/69/473385069.db2.gz RJXMOFWCNMSDNS-QGZVFWFLSA-N 1 3 337.508 2.978 20 0 EFADHO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150973530 473388899 /nfs/dbraw/zinc/38/88/99/473388899.db2.gz XTDREGULKQNRHM-IAGOWNOFSA-N 1 3 333.520 2.714 20 0 EFADHO C[C@H]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@@H+]1C ZINC000621982424 479868224 /nfs/dbraw/zinc/86/82/24/479868224.db2.gz VDXFCGUZTCQSJI-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@H+]1C ZINC000621982424 479868232 /nfs/dbraw/zinc/86/82/32/479868232.db2.gz VDXFCGUZTCQSJI-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO CC(=O)Nc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000631075022 479879040 /nfs/dbraw/zinc/87/90/40/479879040.db2.gz NBZKYGIRHWDLLJ-IYBDPMFKSA-N 1 3 333.476 2.624 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000388343408 476776928 /nfs/dbraw/zinc/77/69/28/476776928.db2.gz YCORIVMJQGOQEZ-RXVVDRJESA-N 1 3 349.478 2.512 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000388343408 476776935 /nfs/dbraw/zinc/77/69/35/476776935.db2.gz YCORIVMJQGOQEZ-RXVVDRJESA-N 1 3 349.478 2.512 20 0 EFADHO c1ccc(NCCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422835220 476801345 /nfs/dbraw/zinc/80/13/45/476801345.db2.gz PBNQUSDLNLUOHK-YLJYHZDGSA-N 1 3 338.455 2.729 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399363771 476881226 /nfs/dbraw/zinc/88/12/26/476881226.db2.gz ILCLXUZHQDHGMD-QRQLOZEOSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000435726408 477359861 /nfs/dbraw/zinc/35/98/61/477359861.db2.gz PHUNQVUURMXDFC-LJQANCHMSA-N 1 3 326.444 2.974 20 0 EFADHO N[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000424078208 477285572 /nfs/dbraw/zinc/28/55/72/477285572.db2.gz PXTHDKHMCUEGTO-GOSISDBHSA-N 1 3 348.450 2.520 20 0 EFADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000424079866 477285774 /nfs/dbraw/zinc/28/57/74/477285774.db2.gz SVIVQSRUGCADRA-IBGZPJMESA-N 1 3 335.451 2.813 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4c[nH]nc4c3)CC2)CC1 ZINC000421383539 478065631 /nfs/dbraw/zinc/06/56/31/478065631.db2.gz ZGDZFJWEXNWVCY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4c[nH]nc4c3)CC2)CC1 ZINC000421383539 478065635 /nfs/dbraw/zinc/06/56/35/478065635.db2.gz ZGDZFJWEXNWVCY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608169102 479952605 /nfs/dbraw/zinc/95/26/05/479952605.db2.gz QXUQOZAJPRPPFI-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608169102 479952606 /nfs/dbraw/zinc/95/26/06/479952606.db2.gz QXUQOZAJPRPPFI-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000631196804 479952644 /nfs/dbraw/zinc/95/26/44/479952644.db2.gz VIVZPKMZKLONNX-VQIMIIECSA-N 1 3 349.482 2.826 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000043230882 472211057 /nfs/dbraw/zinc/21/10/57/472211057.db2.gz HTIGUIIQBNCASO-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC[NH+]1CCCC1)c1ccccc1 ZINC000043230884 472211505 /nfs/dbraw/zinc/21/15/05/472211505.db2.gz HTIGUIIQBNCASO-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000068594977 472217686 /nfs/dbraw/zinc/21/76/86/472217686.db2.gz ZJJXQPFWKDTFTH-SFHVURJKSA-N 1 3 346.519 2.553 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000043859875 472269573 /nfs/dbraw/zinc/26/95/73/472269573.db2.gz BVBMQMYTPOIDEJ-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000043859875 472269579 /nfs/dbraw/zinc/26/95/79/472269579.db2.gz BVBMQMYTPOIDEJ-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056524213 472332251 /nfs/dbraw/zinc/33/22/51/472332251.db2.gz ZYPYOXYUZXINIW-QGZVFWFLSA-N 1 3 331.504 2.870 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523273 472332361 /nfs/dbraw/zinc/33/23/61/472332361.db2.gz PZDPEHLSTJNHLH-SFHVURJKSA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000089151695 472390692 /nfs/dbraw/zinc/39/06/92/472390692.db2.gz KUCXJURMYYIGAL-KRWDZBQOSA-N 1 3 339.524 2.953 20 0 EFADHO CN(CCc1c(F)cccc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000089269227 472403890 /nfs/dbraw/zinc/40/38/90/472403890.db2.gz XYMAOAXLQWURNA-UHFFFAOYSA-N 1 3 341.902 2.979 20 0 EFADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128131503 472406463 /nfs/dbraw/zinc/40/64/63/472406463.db2.gz RANSFUMWPVQZJF-WMZOPIPTSA-N 1 3 347.503 2.712 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116440582 472409258 /nfs/dbraw/zinc/40/92/58/472409258.db2.gz KSIIUTAEAMFFRF-ZWKOTPCHSA-N 1 3 348.535 2.955 20 0 EFADHO C[C@H]1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H](C)C1 ZINC000128217335 472419284 /nfs/dbraw/zinc/41/92/84/472419284.db2.gz DAOPYRMQDDOWLS-MCPYQZEQSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000154406295 472428207 /nfs/dbraw/zinc/42/82/07/472428207.db2.gz WRDYJUVJSXCDSX-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(F)cc1N(C)C ZINC000154416152 472429804 /nfs/dbraw/zinc/42/98/04/472429804.db2.gz BYYPDKAGHGEJPY-MRXNPFEDSA-N 1 3 336.499 2.570 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000128310639 472432710 /nfs/dbraw/zinc/43/27/10/472432710.db2.gz BBQCNXVQNLPVPM-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO Cc1ccc(C[C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)cc1 ZINC000154446860 472434595 /nfs/dbraw/zinc/43/45/95/472434595.db2.gz HCIJHGARKUSXJX-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000089512876 472452582 /nfs/dbraw/zinc/45/25/82/472452582.db2.gz WWHHIVCEVREZEL-CQSZACIVSA-N 1 3 328.464 2.576 20 0 EFADHO CCCN(C(=O)C[NH2+]C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000154632146 472454812 /nfs/dbraw/zinc/45/48/12/472454812.db2.gz LTUQVUXZIDKNDF-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO COCc1cc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)ccc1OC ZINC000128500988 472459805 /nfs/dbraw/zinc/45/98/05/472459805.db2.gz QHIMDLYGRUTLFD-KRWDZBQOSA-N 1 3 349.519 2.520 20 0 EFADHO CCC[N@H+](C)CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768351 479989168 /nfs/dbraw/zinc/98/91/68/479989168.db2.gz ZUNXYQDLFDQKNI-HNNXBMFYSA-N 1 3 345.409 2.766 20 0 EFADHO CCC[N@@H+](C)CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768351 479989171 /nfs/dbraw/zinc/98/91/71/479989171.db2.gz ZUNXYQDLFDQKNI-HNNXBMFYSA-N 1 3 345.409 2.766 20 0 EFADHO Cc1cccc(C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)c1 ZINC000128634011 472476962 /nfs/dbraw/zinc/47/69/62/472476962.db2.gz NCOWNIFUWBYJQC-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000089662645 472481883 /nfs/dbraw/zinc/48/18/83/472481883.db2.gz HJNJAAGFNQAVRM-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000089662645 472481888 /nfs/dbraw/zinc/48/18/88/472481888.db2.gz HJNJAAGFNQAVRM-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000118976492 472517385 /nfs/dbraw/zinc/51/73/85/472517385.db2.gz OYCQZHNVTCYEMP-QGZVFWFLSA-N 1 3 337.508 2.850 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000089833901 472520306 /nfs/dbraw/zinc/52/03/06/472520306.db2.gz FKUPDTGIOYNLSY-UHFFFAOYSA-N 1 3 329.444 2.512 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000077450427 472528528 /nfs/dbraw/zinc/52/85/28/472528528.db2.gz URXWAUCERHDZIX-UHFFFAOYSA-N 1 3 340.467 2.812 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000058274423 472531391 /nfs/dbraw/zinc/53/13/91/472531391.db2.gz MVZKLDGWHDQXGC-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000058274423 472531399 /nfs/dbraw/zinc/53/13/99/472531399.db2.gz MVZKLDGWHDQXGC-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCCN2CCCC[C@@H]2CC)CC1 ZINC000077644772 472573842 /nfs/dbraw/zinc/57/38/42/472573842.db2.gz KBLFGYWIHDRKOB-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000102436500 472577351 /nfs/dbraw/zinc/57/73/51/472577351.db2.gz LEVZBESFXHRKMJ-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C ZINC000102436500 472577357 /nfs/dbraw/zinc/57/73/57/472577357.db2.gz LEVZBESFXHRKMJ-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CN(CCC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@H](C)O1 ZINC000119857602 472592619 /nfs/dbraw/zinc/59/26/19/472592619.db2.gz LLIDOOATQDIUCP-HDICACEKSA-N 1 3 337.552 2.872 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]3C3CCC3)CC2)CC1 ZINC000102905274 472599188 /nfs/dbraw/zinc/59/91/88/472599188.db2.gz VOTCDKSGJHQNAK-LJQANCHMSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000077756071 472603250 /nfs/dbraw/zinc/60/32/50/472603250.db2.gz WDQFJZWYHPRAQC-OAHLLOKOSA-N 1 3 346.475 2.629 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000071893704 472605018 /nfs/dbraw/zinc/60/50/18/472605018.db2.gz ZFRWVESSZLFYHJ-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000155743385 472607273 /nfs/dbraw/zinc/60/72/73/472607273.db2.gz AWHVLVIOAVHUJB-IRXDYDNUSA-N 1 3 347.503 2.525 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC2CCCC2)cc1 ZINC000103212432 472618859 /nfs/dbraw/zinc/61/88/59/472618859.db2.gz MNUGZKCGLVNKMH-UHFFFAOYSA-N 1 3 347.503 2.573 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[NH+](C)C ZINC000120039568 472619565 /nfs/dbraw/zinc/61/95/65/472619565.db2.gz UOWJTQWHJIQHBT-GFCCVEGCSA-N 1 3 327.856 2.607 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000072020118 472629051 /nfs/dbraw/zinc/62/90/51/472629051.db2.gz DALHUEPIOFWIMD-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000072020118 472629054 /nfs/dbraw/zinc/62/90/54/472629054.db2.gz DALHUEPIOFWIMD-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO CN(C)Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000155882012 472632780 /nfs/dbraw/zinc/63/27/80/472632780.db2.gz XBEBZTCEAIPXAJ-UHFFFAOYSA-N 1 3 341.455 2.941 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)c2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000155899901 472635770 /nfs/dbraw/zinc/63/57/70/472635770.db2.gz DFRWZNDWNLHJCV-OXJNMPFZSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000103512309 472640146 /nfs/dbraw/zinc/64/01/46/472640146.db2.gz SRIORWUGLWROMF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1CCN(C)CC1 ZINC000103512309 472640151 /nfs/dbraw/zinc/64/01/51/472640151.db2.gz SRIORWUGLWROMF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155931058 472642382 /nfs/dbraw/zinc/64/23/82/472642382.db2.gz SAAGDXODLJHAQM-YESZJQIVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723372 472655095 /nfs/dbraw/zinc/65/50/95/472655095.db2.gz UZMOESPVQQKJSB-JXFKEZNVSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723372 472655097 /nfs/dbraw/zinc/65/50/97/472655097.db2.gz UZMOESPVQQKJSB-JXFKEZNVSA-N 1 3 332.488 2.812 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000156177102 472674691 /nfs/dbraw/zinc/67/46/91/472674691.db2.gz XLMSFYPVYILFJH-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156177102 472674696 /nfs/dbraw/zinc/67/46/96/472674696.db2.gz XLMSFYPVYILFJH-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628749546 480002945 /nfs/dbraw/zinc/00/29/45/480002945.db2.gz JFXIMTHDEDSOHU-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628749546 480002951 /nfs/dbraw/zinc/00/29/51/480002951.db2.gz JFXIMTHDEDSOHU-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000633797588 480003296 /nfs/dbraw/zinc/00/32/96/480003296.db2.gz LCQPHSWRINTPEO-DFQSSKMNSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000633797588 480003304 /nfs/dbraw/zinc/00/33/04/480003304.db2.gz LCQPHSWRINTPEO-DFQSSKMNSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000120406015 472682506 /nfs/dbraw/zinc/68/25/06/472682506.db2.gz HVOAYCVDEWYSAZ-LJQANCHMSA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000120406015 472682514 /nfs/dbraw/zinc/68/25/14/472682514.db2.gz HVOAYCVDEWYSAZ-LJQANCHMSA-N 1 3 330.472 2.784 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1)C1CC1 ZINC000156467951 472712267 /nfs/dbraw/zinc/71/22/67/472712267.db2.gz OTEZKDPYCZPWJO-CRAIPNDOSA-N 1 3 329.488 2.870 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000078434509 472715099 /nfs/dbraw/zinc/71/50/99/472715099.db2.gz ZDAFRBWFFOGUDA-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000078434509 472715103 /nfs/dbraw/zinc/71/51/03/472715103.db2.gz ZDAFRBWFFOGUDA-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C(C)C ZINC000105075632 472718702 /nfs/dbraw/zinc/71/87/02/472718702.db2.gz HHFDDUUPADKURS-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)N(C)C1CC1 ZINC000105118738 472724295 /nfs/dbraw/zinc/72/42/95/472724295.db2.gz OIFBOLGSRKWBNX-INIZCTEOSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000105129838 472725761 /nfs/dbraw/zinc/72/57/61/472725761.db2.gz LNEVTHSGRLVTFM-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000105129838 472725764 /nfs/dbraw/zinc/72/57/64/472725764.db2.gz LNEVTHSGRLVTFM-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000120676703 472728453 /nfs/dbraw/zinc/72/84/53/472728453.db2.gz UMVSDPDYBGXQFK-INIZCTEOSA-N 1 3 342.487 2.992 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198482 472732314 /nfs/dbraw/zinc/73/23/14/472732314.db2.gz PMNAZMNTZIWWBP-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198482 472732322 /nfs/dbraw/zinc/73/23/22/472732322.db2.gz PMNAZMNTZIWWBP-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO COc1ccc(OC)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000062253059 472732950 /nfs/dbraw/zinc/73/29/50/472732950.db2.gz VLEYGBICGNIJJC-IYBDPMFKSA-N 1 3 336.476 2.683 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000120790583 472747781 /nfs/dbraw/zinc/74/77/81/472747781.db2.gz WDHHBHIFDFWRHV-INIZCTEOSA-N 1 3 325.497 2.850 20 0 EFADHO COc1ccc([C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)cc1 ZINC000091285112 472751310 /nfs/dbraw/zinc/75/13/10/472751310.db2.gz LWRMLCGKQPNJHW-FQEVSTJZSA-N 1 3 331.504 2.764 20 0 EFADHO CCOC(=O)CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000132756785 472753027 /nfs/dbraw/zinc/75/30/27/472753027.db2.gz BJDSMTVIKAJNGD-IAGOWNOFSA-N 1 3 340.508 2.541 20 0 EFADHO CN1CCC(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000073016981 472759009 /nfs/dbraw/zinc/75/90/09/472759009.db2.gz GLQOWVIRQZDBAB-UHFFFAOYSA-N 1 3 329.488 2.995 20 0 EFADHO NC(=O)[C@H]1CCCN(Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)C1 ZINC000156899979 472765136 /nfs/dbraw/zinc/76/51/36/472765136.db2.gz IPVNBKNCVBPBPZ-IBGZPJMESA-N 1 3 341.499 2.662 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C(C)C)c1cccc(OC)c1 ZINC000063465620 472777608 /nfs/dbraw/zinc/77/76/08/472777608.db2.gz QRVGFBYHAAJGCQ-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121055875 472790808 /nfs/dbraw/zinc/79/08/08/472790808.db2.gz MDAYAKCGRFZOMC-OAQYLSRUSA-N 1 3 345.531 2.634 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000121130890 472803168 /nfs/dbraw/zinc/80/31/68/472803168.db2.gz MZPZAOZPDDJQMX-HZPDHXFCSA-N 1 3 337.483 2.759 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000133588631 472820371 /nfs/dbraw/zinc/82/03/71/472820371.db2.gz FKEITQSATBKARX-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000133588422 472820812 /nfs/dbraw/zinc/82/08/12/472820812.db2.gz FKEITQSATBKARX-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](C1CC1)[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157639340 472842360 /nfs/dbraw/zinc/84/23/60/472842360.db2.gz ACVFYTAJAIBKBY-BEFAXECRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](C1CC1)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157639340 472842364 /nfs/dbraw/zinc/84/23/64/472842364.db2.gz ACVFYTAJAIBKBY-BEFAXECRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000079293534 472844189 /nfs/dbraw/zinc/84/41/89/472844189.db2.gz CXPGAMAJCAJEAB-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000079293534 472844192 /nfs/dbraw/zinc/84/41/92/472844192.db2.gz CXPGAMAJCAJEAB-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CCC[NH+]1CCC(CNC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000157684251 472847845 /nfs/dbraw/zinc/84/78/45/472847845.db2.gz WRYXQHWUEPBFEQ-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666635 472851067 /nfs/dbraw/zinc/85/10/67/472851067.db2.gz STHMMXKDUQWJGN-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666635 472851073 /nfs/dbraw/zinc/85/10/73/472851073.db2.gz STHMMXKDUQWJGN-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccsc1 ZINC000106431656 472851272 /nfs/dbraw/zinc/85/12/72/472851272.db2.gz BUJYXLDRAIWKRM-CVEARBPZSA-N 1 3 325.522 2.833 20 0 EFADHO CC[C@H](C)NC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121456180 472854648 /nfs/dbraw/zinc/85/46/48/472854648.db2.gz WNXCRSPOLISDAF-KRWDZBQOSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@H]1OCC[C@@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000121534782 472866689 /nfs/dbraw/zinc/86/66/89/472866689.db2.gz PINJQVGPNBBOHW-XLIONFOSSA-N 1 3 332.488 2.825 20 0 EFADHO C[C@H]1OCC[C@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000121534493 472866834 /nfs/dbraw/zinc/86/68/34/472866834.db2.gz PINJQVGPNBBOHW-YLJYHZDGSA-N 1 3 332.488 2.825 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121537073 472868185 /nfs/dbraw/zinc/86/81/85/472868185.db2.gz DSYDLLZMMUHXIO-UHOSZYNNSA-N 1 3 330.472 2.674 20 0 EFADHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158116753 472894629 /nfs/dbraw/zinc/89/46/29/472894629.db2.gz COXZJSYWKYKLLJ-GJZGRUSLSA-N 1 3 330.476 2.963 20 0 EFADHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158116753 472894634 /nfs/dbraw/zinc/89/46/34/472894634.db2.gz COXZJSYWKYKLLJ-GJZGRUSLSA-N 1 3 330.476 2.963 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC000106828100 472895069 /nfs/dbraw/zinc/89/50/69/472895069.db2.gz LTRJYLJXMPYXBP-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158116891 472895085 /nfs/dbraw/zinc/89/50/85/472895085.db2.gz COXZJSYWKYKLLJ-CABCVRRESA-N 1 3 330.476 2.963 20 0 EFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158116891 472895089 /nfs/dbraw/zinc/89/50/89/472895089.db2.gz COXZJSYWKYKLLJ-CABCVRRESA-N 1 3 330.476 2.963 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)[NH+]1CCC(C)CC1 ZINC000121740006 472903565 /nfs/dbraw/zinc/90/35/65/472903565.db2.gz NQQQAIBZXRNZBI-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N(C)C ZINC000106912874 472911453 /nfs/dbraw/zinc/91/14/53/472911453.db2.gz LORUAMWSPJGQSR-GOSISDBHSA-N 1 3 349.544 2.803 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1)C1CC1 ZINC000073993798 472919531 /nfs/dbraw/zinc/91/95/31/472919531.db2.gz LGTRVMUURHYFBP-QUCCMNQESA-N 1 3 341.499 2.980 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1)C1CC1 ZINC000073993798 472919537 /nfs/dbraw/zinc/91/95/37/472919537.db2.gz LGTRVMUURHYFBP-QUCCMNQESA-N 1 3 341.499 2.980 20 0 EFADHO C[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079799703 472924304 /nfs/dbraw/zinc/92/43/04/472924304.db2.gz DITJCCAUOYZGFJ-KRWDZBQOSA-N 1 3 329.488 2.631 20 0 EFADHO CC[C@@]1(C(=O)NC2CCN(Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000134563080 472929409 /nfs/dbraw/zinc/92/94/09/472929409.db2.gz IKBYSSKFWSQHIW-FQEVSTJZSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000134583058 472933697 /nfs/dbraw/zinc/93/36/97/472933697.db2.gz KDHFKXYEKSKLCN-QUCCMNQESA-N 1 3 329.488 2.780 20 0 EFADHO CC[C@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134596709 472934494 /nfs/dbraw/zinc/93/44/94/472934494.db2.gz CUKNDNYHLRBTKE-OXQOHEQNSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000092564981 472937321 /nfs/dbraw/zinc/93/73/21/472937321.db2.gz YDDKMYZXWBGTIA-DLBZAZTESA-N 1 3 331.504 2.894 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000065442411 472944250 /nfs/dbraw/zinc/94/42/50/472944250.db2.gz XTVXUDVPEJOUMM-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158649076 472956367 /nfs/dbraw/zinc/95/63/67/472956367.db2.gz IJOLQUVVYGRUIB-GJZGRUSLSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC2CCN(CC(F)(F)F)CC2)C1 ZINC000158649076 472956372 /nfs/dbraw/zinc/95/63/72/472956372.db2.gz IJOLQUVVYGRUIB-GJZGRUSLSA-N 1 3 335.458 2.971 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000074181430 472957958 /nfs/dbraw/zinc/95/79/58/472957958.db2.gz RZVWJOUXGCMOHV-OAHLLOKOSA-N 1 3 343.471 2.908 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000074181430 472957961 /nfs/dbraw/zinc/95/79/61/472957961.db2.gz RZVWJOUXGCMOHV-OAHLLOKOSA-N 1 3 343.471 2.908 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000092738764 472977364 /nfs/dbraw/zinc/97/73/64/472977364.db2.gz PUMSOVXXKJPNOG-QAPCUYQASA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000092738764 472977371 /nfs/dbraw/zinc/97/73/71/472977371.db2.gz PUMSOVXXKJPNOG-QAPCUYQASA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000092739873 472977919 /nfs/dbraw/zinc/97/79/19/472977919.db2.gz KCNNNBMPTWMFRG-IAGOWNOFSA-N 1 3 331.504 2.748 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000159005085 472988838 /nfs/dbraw/zinc/98/88/38/472988838.db2.gz ODQKLOHXNYZEBB-IBGZPJMESA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)C1CCCC1)C(C)C ZINC000159010574 472990953 /nfs/dbraw/zinc/99/09/53/472990953.db2.gz OTCQASMHHVNQHU-UHFFFAOYSA-N 1 3 326.529 2.621 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH+](CC1CC1)CC1CC1)c1ccccc1 ZINC000159164641 473004984 /nfs/dbraw/zinc/00/49/84/473004984.db2.gz SGCMKBXIRILJNA-LJQANCHMSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000050800164 473010963 /nfs/dbraw/zinc/01/09/63/473010963.db2.gz FCMNFTNZLMOAQX-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO Cc1ccc(C)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802176 473011420 /nfs/dbraw/zinc/01/14/20/473011420.db2.gz XUXQMFFEZOXIMU-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000108357605 473017286 /nfs/dbraw/zinc/01/72/86/473017286.db2.gz IRSYYJLKFBSXPQ-IAGOWNOFSA-N 1 3 325.566 2.668 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CC[N@H+](C)C[C@H]3C)c2)CC1 ZINC000108462490 473028980 /nfs/dbraw/zinc/02/89/80/473028980.db2.gz HNFIEQNNVUZBRE-YLJYHZDGSA-N 1 3 330.520 2.969 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000108462490 473028988 /nfs/dbraw/zinc/02/89/88/473028988.db2.gz HNFIEQNNVUZBRE-YLJYHZDGSA-N 1 3 330.520 2.969 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000108784540 473054386 /nfs/dbraw/zinc/05/43/86/473054386.db2.gz RLYUHZNLQQOTEV-KRWDZBQOSA-N 1 3 341.499 2.885 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000108784540 473054389 /nfs/dbraw/zinc/05/43/89/473054389.db2.gz RLYUHZNLQQOTEV-KRWDZBQOSA-N 1 3 341.499 2.885 20 0 EFADHO CCN(CC)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000051589537 473059330 /nfs/dbraw/zinc/05/93/30/473059330.db2.gz YGHKEVRGKZSPOR-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCN(CC)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000051589537 473059336 /nfs/dbraw/zinc/05/93/36/473059336.db2.gz YGHKEVRGKZSPOR-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000122811533 473060648 /nfs/dbraw/zinc/06/06/48/473060648.db2.gz TUAOKIWMNVZBOP-MSOLQXFVSA-N 1 3 343.515 2.877 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000052441506 473108914 /nfs/dbraw/zinc/10/89/14/473108914.db2.gz JDJQCNZEDSIXMO-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482795 473115088 /nfs/dbraw/zinc/11/50/88/473115088.db2.gz RJRMQWZGZYWIKK-FXAWDEMLSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482795 473115092 /nfs/dbraw/zinc/11/50/92/473115092.db2.gz RJRMQWZGZYWIKK-FXAWDEMLSA-N 1 3 345.531 2.952 20 0 EFADHO C[NH+](C)CCCC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000123247527 473116795 /nfs/dbraw/zinc/11/67/95/473116795.db2.gz JVRBMDGKMDTAAL-UHFFFAOYSA-N 1 3 342.487 2.519 20 0 EFADHO O=C(CCN1CCC(C[NH+]2CCCCCC2)CC1)N1CCCCC1 ZINC000052713804 473142224 /nfs/dbraw/zinc/14/22/24/473142224.db2.gz MGKLZEBJLDSJDQ-UHFFFAOYSA-N 1 3 335.536 2.977 20 0 EFADHO Cc1nccn1CCCN(C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000136312581 473151119 /nfs/dbraw/zinc/15/11/19/473151119.db2.gz LYGBPEFSFIUXCL-INIZCTEOSA-N 1 3 332.492 2.909 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000137220097 473199408 /nfs/dbraw/zinc/19/94/08/473199408.db2.gz SYOGDAQTOZEMEN-MRXNPFEDSA-N 1 3 342.487 2.521 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000113405515 473392267 /nfs/dbraw/zinc/39/22/67/473392267.db2.gz XMPKLHQUUMGHMY-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000113405515 473392272 /nfs/dbraw/zinc/39/22/72/473392272.db2.gz XMPKLHQUUMGHMY-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CCOC[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125332746 473394744 /nfs/dbraw/zinc/39/47/44/473394744.db2.gz FIVVMTCLOYBGDF-LJQANCHMSA-N 1 3 333.520 2.912 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000125325918 473394929 /nfs/dbraw/zinc/39/49/29/473394929.db2.gz JEZSJUMQRUWPHM-WOJBJXKFSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125389329 473403801 /nfs/dbraw/zinc/40/38/01/473403801.db2.gz IDQWWLQLFWNDQK-MOPGFXCFSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125389329 473403805 /nfs/dbraw/zinc/40/38/05/473403805.db2.gz IDQWWLQLFWNDQK-MOPGFXCFSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C1CC1 ZINC000113616296 473410762 /nfs/dbraw/zinc/41/07/62/473410762.db2.gz VNBWVDCESUBJAY-HOTGVXAUSA-N 1 3 346.519 2.898 20 0 EFADHO Cc1nccn1CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000125495397 473417964 /nfs/dbraw/zinc/41/79/64/473417964.db2.gz UVBRZARCDNXQRE-QZTJIDSGSA-N 1 3 348.535 2.793 20 0 EFADHO CC(C)N(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000190893814 473420942 /nfs/dbraw/zinc/42/09/42/473420942.db2.gz QYOJRVWCXQIUOK-QZTJIDSGSA-N 1 3 348.535 2.905 20 0 EFADHO CN(CCN1CCCC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163183384 473421904 /nfs/dbraw/zinc/42/19/04/473421904.db2.gz YJFZWNSAUZDPEZ-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151415343 473453665 /nfs/dbraw/zinc/45/36/65/473453665.db2.gz HYYKJYGUFMXXKQ-JTDSTZFVSA-N 1 3 329.488 2.627 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000125835102 473462888 /nfs/dbraw/zinc/46/28/88/473462888.db2.gz PLOSGJAIJPSAIB-SFHVURJKSA-N 1 3 348.466 2.896 20 0 EFADHO CCS(=O)(=O)CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000191091886 473476153 /nfs/dbraw/zinc/47/61/53/473476153.db2.gz MWYNADZEPUWUOE-IAGOWNOFSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000171899111 473478011 /nfs/dbraw/zinc/47/80/11/473478011.db2.gz CEAQESLSOFSSET-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO CC[C@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000151655236 473481753 /nfs/dbraw/zinc/48/17/53/473481753.db2.gz LFULBRJTUFRZSG-UONOGXRCSA-N 1 3 338.883 2.916 20 0 EFADHO CC(C)N1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000126052310 473482788 /nfs/dbraw/zinc/48/27/88/473482788.db2.gz XGDMUESSKPMVKL-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCCC[NH+]1CCC(N[C@H](C)Cn2cc(Br)cn2)CC1 ZINC000164476169 473490049 /nfs/dbraw/zinc/49/00/49/473490049.db2.gz VGYPDFWJRDSOBE-CYBMUJFWSA-N 1 3 343.313 2.888 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC000164649499 473494720 /nfs/dbraw/zinc/49/47/20/473494720.db2.gz RNYOQUVXFXJWCV-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC[C@@H]2CC)[C@@H](C)C1 ZINC000164866108 473500077 /nfs/dbraw/zinc/50/00/77/473500077.db2.gz CZRRXEZJVQQIRD-SLFFLAALSA-N 1 3 339.568 2.978 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCC[NH+](C)C ZINC000151954621 473510329 /nfs/dbraw/zinc/51/03/29/473510329.db2.gz MAUSLLFPUGQQLN-GFCCVEGCSA-N 1 3 347.381 2.844 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000165347081 473510957 /nfs/dbraw/zinc/51/09/57/473510957.db2.gz KACJVINSZTXMFD-YLJYHZDGSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCCC1 ZINC000178463156 473518585 /nfs/dbraw/zinc/51/85/85/473518585.db2.gz OWORHMLBUMXHFS-IAGOWNOFSA-N 1 3 347.503 2.679 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000126508672 473522098 /nfs/dbraw/zinc/52/20/98/473522098.db2.gz FNHXELTWYWUVNQ-ICSRJNTNSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000126508672 473522104 /nfs/dbraw/zinc/52/21/04/473522104.db2.gz FNHXELTWYWUVNQ-ICSRJNTNSA-N 1 3 341.499 2.837 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000167309569 473535360 /nfs/dbraw/zinc/53/53/60/473535360.db2.gz ZDZKATSOTOBISO-VQIMIIECSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000167309569 473535363 /nfs/dbraw/zinc/53/53/63/473535363.db2.gz ZDZKATSOTOBISO-VQIMIIECSA-N 1 3 331.504 2.730 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000167540266 473537997 /nfs/dbraw/zinc/53/79/97/473537997.db2.gz YYPFKHWQWNHDGT-YLKQWYNWSA-N 1 3 341.499 2.529 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000168508863 473543409 /nfs/dbraw/zinc/54/34/09/473543409.db2.gz GKXAUXPBZGJCFO-PKOBYXMFSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000168664114 473544085 /nfs/dbraw/zinc/54/40/85/473544085.db2.gz OAAOIJCVBHKVIY-QWRGUYRKSA-N 1 3 330.259 2.991 20 0 EFADHO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000169093840 473547016 /nfs/dbraw/zinc/54/70/16/473547016.db2.gz RSCBMWXVKNUVSI-INIZCTEOSA-N 1 3 331.460 2.550 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152366026 473553233 /nfs/dbraw/zinc/55/32/33/473553233.db2.gz NQFYIIBQQZLSAX-QWHCGFSZSA-N 1 3 336.867 2.526 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152366026 473553241 /nfs/dbraw/zinc/55/32/41/473553241.db2.gz NQFYIIBQQZLSAX-QWHCGFSZSA-N 1 3 336.867 2.526 20 0 EFADHO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191602207 473559086 /nfs/dbraw/zinc/55/90/86/473559086.db2.gz OVMBMYORSXGBIR-GOSISDBHSA-N 1 3 333.524 2.580 20 0 EFADHO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191602207 473559090 /nfs/dbraw/zinc/55/90/90/473559090.db2.gz OVMBMYORSXGBIR-GOSISDBHSA-N 1 3 333.524 2.580 20 0 EFADHO CC(C)Cc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000170645424 473572917 /nfs/dbraw/zinc/57/29/17/473572917.db2.gz VELRQCQMIPMEPO-UHFFFAOYSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178845192 473576942 /nfs/dbraw/zinc/57/69/42/473576942.db2.gz GTIMRCXPRBMCSE-AQNXPRMDSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](CCNC(=O)[C@@H](CN)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000178857525 473578856 /nfs/dbraw/zinc/57/88/56/473578856.db2.gz FGQFLBDOFCYCKZ-XLIONFOSSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@H](CCNC(=O)[C@@H](CN)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000178857525 473578862 /nfs/dbraw/zinc/57/88/62/473578862.db2.gz FGQFLBDOFCYCKZ-XLIONFOSSA-N 1 3 339.483 2.756 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000115552187 473579892 /nfs/dbraw/zinc/57/98/92/473579892.db2.gz BOIGCUNFOBWYLE-HKUYNNGSSA-N 1 3 343.515 2.853 20 0 EFADHO C[C@@H](NCC[S@](=O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000127323983 473599244 /nfs/dbraw/zinc/59/92/44/473599244.db2.gz PEFFBRNTSILYAR-IQMFZBJNSA-N 1 3 340.533 2.825 20 0 EFADHO C[C@H](NCC[S@@](=O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000127323334 473599663 /nfs/dbraw/zinc/59/96/63/473599663.db2.gz PEFFBRNTSILYAR-WNSKOXEYSA-N 1 3 340.533 2.825 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN(C)C1)CC(C)C ZINC000115793249 473604163 /nfs/dbraw/zinc/60/41/63/473604163.db2.gz NFAQVGAQWYJPHL-ROUUACIJSA-N 1 3 340.556 2.726 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000127377509 473604652 /nfs/dbraw/zinc/60/46/52/473604652.db2.gz HPWOVPHQAKKUAY-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000127976306 473668970 /nfs/dbraw/zinc/66/89/70/473668970.db2.gz ABLSJYBTXFFUPZ-PKOBYXMFSA-N 1 3 347.503 2.713 20 0 EFADHO CCC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000127976306 473668971 /nfs/dbraw/zinc/66/89/71/473668971.db2.gz ABLSJYBTXFFUPZ-PKOBYXMFSA-N 1 3 347.503 2.713 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000186444185 473675395 /nfs/dbraw/zinc/67/53/95/473675395.db2.gz QTIXRQYAZCVUJD-WBVHZDCISA-N 1 3 349.475 2.508 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186448185 473675483 /nfs/dbraw/zinc/67/54/83/473675483.db2.gz KCXYDTXDERUTLX-UHFFFAOYSA-N 1 3 325.456 2.869 20 0 EFADHO CC(C)COC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179388366 473682997 /nfs/dbraw/zinc/68/29/97/473682997.db2.gz JNUIWGZCSHHOGG-FQEVSTJZSA-N 1 3 349.519 2.653 20 0 EFADHO CC(C)COC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179388366 473683000 /nfs/dbraw/zinc/68/30/00/473683000.db2.gz JNUIWGZCSHHOGG-FQEVSTJZSA-N 1 3 349.519 2.653 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000262629474 473703280 /nfs/dbraw/zinc/70/32/80/473703280.db2.gz DMDYIKGZDLERQT-VDGAXYAQSA-N 1 3 345.531 2.994 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000262729151 473715676 /nfs/dbraw/zinc/71/56/76/473715676.db2.gz BGZYSHMLBTZYHG-MPGHIAIKSA-N 1 3 335.517 2.909 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cc[nH]c21 ZINC000172965804 473715523 /nfs/dbraw/zinc/71/55/23/473715523.db2.gz JFJXGVJWCFBPED-QGZVFWFLSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cccc2cc[nH]c21 ZINC000172965804 473715527 /nfs/dbraw/zinc/71/55/27/473715527.db2.gz JFJXGVJWCFBPED-QGZVFWFLSA-N 1 3 342.487 2.656 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000192773643 473722680 /nfs/dbraw/zinc/72/26/80/473722680.db2.gz DVDXJWHULYMNRF-NRFANRHFSA-N 1 3 344.547 2.979 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000192773643 473722687 /nfs/dbraw/zinc/72/26/87/473722687.db2.gz DVDXJWHULYMNRF-NRFANRHFSA-N 1 3 344.547 2.979 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000245627911 473729625 /nfs/dbraw/zinc/72/96/25/473729625.db2.gz SEEKUQVXKZDNSE-WIYYLYMNSA-N 1 3 344.547 2.966 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000245627911 473729633 /nfs/dbraw/zinc/72/96/33/473729633.db2.gz SEEKUQVXKZDNSE-WIYYLYMNSA-N 1 3 344.547 2.966 20 0 EFADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000269201979 473730127 /nfs/dbraw/zinc/73/01/27/473730127.db2.gz MXDHBSXJOGXKSW-KGLIPLIRSA-N 1 3 329.444 2.612 20 0 EFADHO C[C@H]1CCCCN1CCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269222501 473737432 /nfs/dbraw/zinc/73/74/32/473737432.db2.gz ACMRBFPNVGESMB-INIZCTEOSA-N 1 3 342.487 2.594 20 0 EFADHO Fc1cncc([C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000281500198 473742585 /nfs/dbraw/zinc/74/25/85/473742585.db2.gz GRQTYQJQQBMZNA-LIRRHRJNSA-N 1 3 333.451 2.762 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+](C)CCCN1CCCC1 ZINC000281511778 473747667 /nfs/dbraw/zinc/74/76/67/473747667.db2.gz YUBPHBKYLUDHME-UHFFFAOYSA-N 1 3 333.476 2.832 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+](C)CCCN1CCCC1 ZINC000281511778 473747672 /nfs/dbraw/zinc/74/76/72/473747672.db2.gz YUBPHBKYLUDHME-UHFFFAOYSA-N 1 3 333.476 2.832 20 0 EFADHO COc1cccc([C@@H](CNC(=O)CCCCCC[NH3+])N2CCCC2)c1 ZINC000269244173 473747822 /nfs/dbraw/zinc/74/78/22/473747822.db2.gz SNINZQODNRKIBQ-LJQANCHMSA-N 1 3 347.503 2.858 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269251228 473750474 /nfs/dbraw/zinc/75/04/74/473750474.db2.gz PDTRONUWXGBOKY-GOSISDBHSA-N 1 3 344.503 2.696 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193003378 473759041 /nfs/dbraw/zinc/75/90/41/473759041.db2.gz HXBYTGZVPLHZPP-UHFFFAOYSA-N 1 3 334.489 2.520 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034232 473774022 /nfs/dbraw/zinc/77/40/22/473774022.db2.gz WHXNVNJBGKZCSQ-OAGGEKHMSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034232 473774031 /nfs/dbraw/zinc/77/40/31/473774031.db2.gz WHXNVNJBGKZCSQ-OAGGEKHMSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034232 473774038 /nfs/dbraw/zinc/77/40/38/473774038.db2.gz WHXNVNJBGKZCSQ-OAGGEKHMSA-N 1 3 325.497 2.563 20 0 EFADHO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@@H]3CCCN3C)ccc2NC1=O ZINC000180034324 473781475 /nfs/dbraw/zinc/78/14/75/473781475.db2.gz HLDWJOQYDODGFY-QRTARXTBSA-N 1 3 331.460 2.931 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281641258 473792485 /nfs/dbraw/zinc/79/24/85/473792485.db2.gz OZTYTMKTXWNWPX-OTWHNJEPSA-N 1 3 333.451 2.639 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608666567 480065297 /nfs/dbraw/zinc/06/52/97/480065297.db2.gz PBISKARDYCMXBO-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(CCC(C)(C)C)CC2)CC1 ZINC000193614574 473796518 /nfs/dbraw/zinc/79/65/18/473796518.db2.gz XSXQLFJJFCUUFC-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608666567 480065302 /nfs/dbraw/zinc/06/53/02/480065302.db2.gz PBISKARDYCMXBO-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173319525 473806451 /nfs/dbraw/zinc/80/64/51/473806451.db2.gz BIILTTKZJDHUAT-KRWDZBQOSA-N 1 3 349.519 2.772 20 0 EFADHO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170297 473816597 /nfs/dbraw/zinc/81/65/97/473816597.db2.gz CUDSQEJIVOTKIE-SDZDHKAXSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170297 473816604 /nfs/dbraw/zinc/81/66/04/473816604.db2.gz CUDSQEJIVOTKIE-SDZDHKAXSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170297 473816611 /nfs/dbraw/zinc/81/66/11/473816611.db2.gz CUDSQEJIVOTKIE-SDZDHKAXSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170285 473817132 /nfs/dbraw/zinc/81/71/32/473817132.db2.gz CUDSQEJIVOTKIE-RKFFNLMFSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](CO[C@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170285 473817136 /nfs/dbraw/zinc/81/71/36/473817136.db2.gz CUDSQEJIVOTKIE-RKFFNLMFSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](CO[C@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170285 473817145 /nfs/dbraw/zinc/81/71/45/473817145.db2.gz CUDSQEJIVOTKIE-RKFFNLMFSA-N 1 3 344.499 2.681 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246327336 473830504 /nfs/dbraw/zinc/83/05/04/473830504.db2.gz FWJWFUSHPSICKS-CVEARBPZSA-N 1 3 334.460 2.689 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246327336 473830512 /nfs/dbraw/zinc/83/05/12/473830512.db2.gz FWJWFUSHPSICKS-CVEARBPZSA-N 1 3 334.460 2.689 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000246342309 473834365 /nfs/dbraw/zinc/83/43/65/473834365.db2.gz OWNVMOWFUKUFJM-AEFFLSMTSA-N 1 3 346.519 2.899 20 0 EFADHO COc1c(Br)cccc1CNCC1CC[NH+](C)CC1 ZINC000187208597 473836782 /nfs/dbraw/zinc/83/67/82/473836782.db2.gz REWXSJHGKXLRPR-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO COC(=O)COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000274486439 473846327 /nfs/dbraw/zinc/84/63/27/473846327.db2.gz RPKPKEFINBIBCA-NVXWUHKLSA-N 1 3 334.460 2.763 20 0 EFADHO C[C@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000281827366 473851965 /nfs/dbraw/zinc/85/19/65/473851965.db2.gz KOQVXFHKQZUIDM-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000180330838 473853796 /nfs/dbraw/zinc/85/37/96/473853796.db2.gz BAEJVHMFUGTQJR-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000288149949 473859359 /nfs/dbraw/zinc/85/93/59/473859359.db2.gz NRWULYKPFHBNML-HKUYNNGSSA-N 1 3 346.519 2.805 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194230075 473863784 /nfs/dbraw/zinc/86/37/84/473863784.db2.gz RSGJJRXPIATZKU-OAQYLSRUSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000246510422 473886124 /nfs/dbraw/zinc/88/61/24/473886124.db2.gz QLUWHJOAYCCMAD-QRVBRYPASA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288256189 473890077 /nfs/dbraw/zinc/89/00/77/473890077.db2.gz UPSLHZHTOWPDSN-QFBILLFUSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000288360395 473920237 /nfs/dbraw/zinc/92/02/37/473920237.db2.gz KPXMJIXWFYRZNK-FXAWDEMLSA-N 1 3 341.499 2.981 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000187819968 473926574 /nfs/dbraw/zinc/92/65/74/473926574.db2.gz DPJUAIONQGKWTP-IBGZPJMESA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000187819968 473926578 /nfs/dbraw/zinc/92/65/78/473926578.db2.gz DPJUAIONQGKWTP-IBGZPJMESA-N 1 3 346.519 2.536 20 0 EFADHO COCCC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(F)cc1 ZINC000282077614 473939009 /nfs/dbraw/zinc/93/90/09/473939009.db2.gz XITYSBWHHKHLQH-IBGZPJMESA-N 1 3 338.467 2.730 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000173889349 473952247 /nfs/dbraw/zinc/95/22/47/473952247.db2.gz SSKCWJNQIVEYIP-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000173889349 473952250 /nfs/dbraw/zinc/95/22/50/473952250.db2.gz SSKCWJNQIVEYIP-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000194845197 473963099 /nfs/dbraw/zinc/96/30/99/473963099.db2.gz DSGHHMPLNHWMHW-LJQANCHMSA-N 1 3 331.504 2.688 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246867209 473987742 /nfs/dbraw/zinc/98/77/42/473987742.db2.gz DFBONGJCFVWUFW-GXTWGEPZSA-N 1 3 331.382 2.843 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC[C@H]3CCCN3C)C2)nc1 ZINC000246885639 473992002 /nfs/dbraw/zinc/99/20/02/473992002.db2.gz IKHQDPARZUQSKS-DLBZAZTESA-N 1 3 330.476 2.525 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC[C@H]3CCCN3C)C2)nc1 ZINC000246885639 473992007 /nfs/dbraw/zinc/99/20/07/473992007.db2.gz IKHQDPARZUQSKS-DLBZAZTESA-N 1 3 330.476 2.525 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)[C@H](C)C1 ZINC000246890952 473994556 /nfs/dbraw/zinc/99/45/56/473994556.db2.gz DUOBAGGXSWQWFQ-NEWSRXKRSA-N 1 3 332.488 2.983 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)c1 ZINC000246930552 474006271 /nfs/dbraw/zinc/00/62/71/474006271.db2.gz GMLSROFUODDABK-IHSNIMORSA-N 1 3 347.503 2.601 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000246930552 474006277 /nfs/dbraw/zinc/00/62/77/474006277.db2.gz GMLSROFUODDABK-IHSNIMORSA-N 1 3 347.503 2.601 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000282313959 474018570 /nfs/dbraw/zinc/01/85/70/474018570.db2.gz UALUBFBDBCPMSE-FPOVZHCZSA-N 1 3 346.515 2.938 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246994773 474029368 /nfs/dbraw/zinc/02/93/68/474029368.db2.gz OOJPGLZCCFCSFZ-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246994773 474029376 /nfs/dbraw/zinc/02/93/76/474029376.db2.gz OOJPGLZCCFCSFZ-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-n2cccn2)cc1 ZINC000282387465 474047385 /nfs/dbraw/zinc/04/73/85/474047385.db2.gz QZHQZXCVEWVGIP-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000247100722 474064294 /nfs/dbraw/zinc/06/42/94/474064294.db2.gz PZPQNIWTJDOYDY-DYXWJJEUSA-N 1 3 344.547 2.517 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000247100722 474064298 /nfs/dbraw/zinc/06/42/98/474064298.db2.gz PZPQNIWTJDOYDY-DYXWJJEUSA-N 1 3 344.547 2.517 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)[C@@H](C)C1 ZINC000247112891 474068972 /nfs/dbraw/zinc/06/89/72/474068972.db2.gz TZSFVANMNIXHKN-VDGAXYAQSA-N 1 3 349.494 2.519 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000247141111 474072789 /nfs/dbraw/zinc/07/27/89/474072789.db2.gz QXTJUUJNSJGIME-IZBJGVDFSA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000247141111 474072796 /nfs/dbraw/zinc/07/27/96/474072796.db2.gz QXTJUUJNSJGIME-IZBJGVDFSA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000247148796 474076089 /nfs/dbraw/zinc/07/60/89/474076089.db2.gz IFMBJBVLBNYPAG-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000247148796 474076097 /nfs/dbraw/zinc/07/60/97/474076097.db2.gz IFMBJBVLBNYPAG-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000188383804 474077571 /nfs/dbraw/zinc/07/75/71/474077571.db2.gz LWRHEGQVGURHJY-LJQANCHMSA-N 1 3 346.519 2.807 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnc2ccsc2c1 ZINC000282485855 474083666 /nfs/dbraw/zinc/08/36/66/474083666.db2.gz XEYIYQNALNDYCG-AWEZNQCLSA-N 1 3 332.517 2.973 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182060761 474090409 /nfs/dbraw/zinc/09/04/09/474090409.db2.gz WGWMHRBYVBBWSP-APWZRJJASA-N 1 3 349.494 2.903 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000195548343 474093052 /nfs/dbraw/zinc/09/30/52/474093052.db2.gz ORFDRPOPCUIEQV-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000264741895 474111683 /nfs/dbraw/zinc/11/16/83/474111683.db2.gz GTVSHXMNIMQLHC-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000247299696 474112300 /nfs/dbraw/zinc/11/23/00/474112300.db2.gz IBYFWKFJWSTRHI-IEBWSBKVSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000247299696 474112306 /nfs/dbraw/zinc/11/23/06/474112306.db2.gz IBYFWKFJWSTRHI-IEBWSBKVSA-N 1 3 346.519 2.581 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583636 474119786 /nfs/dbraw/zinc/11/97/86/474119786.db2.gz WFKGFXDAVWDPTJ-HKUYNNGSSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583636 474119795 /nfs/dbraw/zinc/11/97/95/474119795.db2.gz WFKGFXDAVWDPTJ-HKUYNNGSSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583636 474119802 /nfs/dbraw/zinc/11/98/02/474119802.db2.gz WFKGFXDAVWDPTJ-HKUYNNGSSA-N 1 3 329.488 2.565 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000182230561 474127070 /nfs/dbraw/zinc/12/70/70/474127070.db2.gz BMLNXMJYSUEGFH-OXQOHEQNSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000182230561 474127077 /nfs/dbraw/zinc/12/70/77/474127077.db2.gz BMLNXMJYSUEGFH-OXQOHEQNSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000182230540 474127236 /nfs/dbraw/zinc/12/72/36/474127236.db2.gz BMLNXMJYSUEGFH-OXJNMPFZSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000182230540 474127244 /nfs/dbraw/zinc/12/72/44/474127244.db2.gz BMLNXMJYSUEGFH-OXJNMPFZSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000182237341 474131294 /nfs/dbraw/zinc/13/12/94/474131294.db2.gz GWWRKAUBQFFPJE-OXJNMPFZSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000182237341 474131303 /nfs/dbraw/zinc/13/13/03/474131303.db2.gz GWWRKAUBQFFPJE-OXJNMPFZSA-N 1 3 325.456 2.889 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289058825 474133692 /nfs/dbraw/zinc/13/36/92/474133692.db2.gz IZXWLZBGGGQZNA-ROUUACIJSA-N 1 3 344.455 2.673 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264815812 474136209 /nfs/dbraw/zinc/13/62/09/474136209.db2.gz WJBRVXIKZYUJFM-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644109 474139522 /nfs/dbraw/zinc/13/95/22/474139522.db2.gz BXDRAKRQCGEERC-SXLOBPIMSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644109 474139527 /nfs/dbraw/zinc/13/95/27/474139527.db2.gz BXDRAKRQCGEERC-SXLOBPIMSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644109 474139532 /nfs/dbraw/zinc/13/95/32/474139532.db2.gz BXDRAKRQCGEERC-SXLOBPIMSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCN(C(=O)c4ccccc4)C3)CC[C@@H]21 ZINC000282644109 474139535 /nfs/dbraw/zinc/13/95/35/474139535.db2.gz BXDRAKRQCGEERC-SXLOBPIMSA-N 1 3 341.499 2.565 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000216445201 474140713 /nfs/dbraw/zinc/14/07/13/474140713.db2.gz WOWPCNOHGGYZIY-FPAYPSAMSA-N 1 3 331.504 2.820 20 0 EFADHO CC(C)[NH+](CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)C ZINC000289220278 474187359 /nfs/dbraw/zinc/18/73/59/474187359.db2.gz CLKPRWOVBNUBBI-ZWKOTPCHSA-N 1 3 346.471 2.916 20 0 EFADHO COc1ccc2oc(CNCC3(O)CC[NH+](C(C)C)CC3)cc2c1 ZINC000270603681 474188051 /nfs/dbraw/zinc/18/80/51/474188051.db2.gz GJPJAEVAZKZXNF-UHFFFAOYSA-N 1 3 332.444 2.766 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)c1 ZINC000282775672 474190353 /nfs/dbraw/zinc/19/03/53/474190353.db2.gz OPIPASGSGNTRTO-PKOBYXMFSA-N 1 3 349.494 2.986 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289255048 474199543 /nfs/dbraw/zinc/19/95/43/474199543.db2.gz BTBSFAOKHBPVBM-ZWKOTPCHSA-N 1 3 344.455 2.527 20 0 EFADHO COc1ccc2oc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)cc2c1 ZINC000270669319 474214755 /nfs/dbraw/zinc/21/47/55/474214755.db2.gz VVPPIBIXJXYNEZ-RBUKOAKNSA-N 1 3 344.455 2.909 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N(CC)CC ZINC000265451845 474220350 /nfs/dbraw/zinc/22/03/50/474220350.db2.gz DADZYMQRHHKNNF-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N(CC)CC ZINC000265451845 474220354 /nfs/dbraw/zinc/22/03/54/474220354.db2.gz DADZYMQRHHKNNF-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000247889464 474221924 /nfs/dbraw/zinc/22/19/24/474221924.db2.gz DXUOPRJUSDOTSZ-ZCNNSNEGSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)c1C ZINC000247889464 474221932 /nfs/dbraw/zinc/22/19/32/474221932.db2.gz DXUOPRJUSDOTSZ-ZCNNSNEGSA-N 1 3 346.515 2.768 20 0 EFADHO COc1ccccc1CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000182665050 474229044 /nfs/dbraw/zinc/22/90/44/474229044.db2.gz DRDCMKFNQCCCMG-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO COc1ccccc1CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182665050 474229046 /nfs/dbraw/zinc/22/90/46/474229046.db2.gz DRDCMKFNQCCCMG-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248120095 474261530 /nfs/dbraw/zinc/26/15/30/474261530.db2.gz NFZUEBZPOVEHOE-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248120095 474261533 /nfs/dbraw/zinc/26/15/33/474261533.db2.gz NFZUEBZPOVEHOE-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)/C=C/CN(C)C)c2)CC1 ZINC000265594882 474264656 /nfs/dbraw/zinc/26/46/56/474264656.db2.gz BKFWTOUVSKGOJX-VMPITWQZSA-N 1 3 329.488 2.653 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2=CCN(C)CC2)cc1 ZINC000275655484 474269834 /nfs/dbraw/zinc/26/98/34/474269834.db2.gz ASKITZSIWUWABT-IBGZPJMESA-N 1 3 325.460 2.569 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000289443386 474274010 /nfs/dbraw/zinc/27/40/10/474274010.db2.gz MFHYXQQASMEQHQ-NSCUHMNNSA-N 1 3 331.479 2.798 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890660 474279196 /nfs/dbraw/zinc/27/91/96/474279196.db2.gz USAJJFZBKODOPK-IRXDYDNUSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890660 474279201 /nfs/dbraw/zinc/27/92/01/474279201.db2.gz USAJJFZBKODOPK-IRXDYDNUSA-N 1 3 338.540 2.621 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000289465167 474282089 /nfs/dbraw/zinc/28/20/89/474282089.db2.gz AHFMTRRUVLUYIE-FHWLQOOXSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(OCCN(C)C)cc1 ZINC000248216339 474282829 /nfs/dbraw/zinc/28/28/29/474282829.db2.gz ZSJHYYVLRBOTEN-IWMITWMQSA-N 1 3 340.467 2.936 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000236741167 474284672 /nfs/dbraw/zinc/28/46/72/474284672.db2.gz ZQZJYVHJBUXGFD-CQSZACIVSA-N 1 3 327.856 2.592 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265657356 474285572 /nfs/dbraw/zinc/28/55/72/474285572.db2.gz PYBJXQULLYCXOS-CVRCPQJVSA-N 1 3 343.515 2.899 20 0 EFADHO CC[NH+]1CCC(N[C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275701999 474286961 /nfs/dbraw/zinc/28/69/61/474286961.db2.gz LSPGHXPSLLULTG-LJQANCHMSA-N 1 3 327.476 2.792 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)/C=C/CN(C)C)CCCC1)c1ccccc1 ZINC000265659667 474287038 /nfs/dbraw/zinc/28/70/38/474287038.db2.gz DHJZNHLCRNOAFF-KQPPXVQYSA-N 1 3 329.488 2.884 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000248327052 474290057 /nfs/dbraw/zinc/29/00/57/474290057.db2.gz CFSQBUIOVQZAPP-IRXDYDNUSA-N 1 3 329.488 2.629 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000265674799 474290929 /nfs/dbraw/zinc/29/09/29/474290929.db2.gz XULGANSHSDVAPC-QGZVFWFLSA-N 1 3 345.531 2.763 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@H]2C)CC1 ZINC000248347807 474293800 /nfs/dbraw/zinc/29/38/00/474293800.db2.gz NVCWDZPMMBOUDT-FUHWJXTLSA-N 1 3 343.515 2.806 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000236917856 474303332 /nfs/dbraw/zinc/30/33/32/474303332.db2.gz GVOAXUNLPXFPDU-FQEVSTJZSA-N 1 3 339.483 2.715 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236937942 474306738 /nfs/dbraw/zinc/30/67/38/474306738.db2.gz BTAOKJIFKUMTBY-KXBFYZLASA-N 1 3 344.503 2.531 20 0 EFADHO CC[C@@H](CNC(=O)CCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236953180 474310302 /nfs/dbraw/zinc/31/03/02/474310302.db2.gz LBLUVVZDDRVCBE-FQEVSTJZSA-N 1 3 343.515 2.719 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000236958761 474311433 /nfs/dbraw/zinc/31/14/33/474311433.db2.gz QVVYJQGCDHJCQW-LJQANCHMSA-N 1 3 331.504 2.748 20 0 EFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236969796 474313523 /nfs/dbraw/zinc/31/35/23/474313523.db2.gz ZJXQYHGIVNTFMD-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236969796 474313532 /nfs/dbraw/zinc/31/35/32/474313532.db2.gz ZJXQYHGIVNTFMD-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236988674 474317782 /nfs/dbraw/zinc/31/77/82/474317782.db2.gz HOBCUBLEQUIJTC-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(C(=O)CC1([NH3+])CCC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237033729 474325166 /nfs/dbraw/zinc/32/51/66/474325166.db2.gz GBIFKTFFZOYQGG-FUHWJXTLSA-N 1 3 329.488 2.942 20 0 EFADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000248452129 474329167 /nfs/dbraw/zinc/32/91/67/474329167.db2.gz GGLQVJSNULRERN-HXUWFJFHSA-N 1 3 327.472 2.986 20 0 EFADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000248452129 474329173 /nfs/dbraw/zinc/32/91/73/474329173.db2.gz GGLQVJSNULRERN-HXUWFJFHSA-N 1 3 327.472 2.986 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248455751 474329951 /nfs/dbraw/zinc/32/99/51/474329951.db2.gz RRYJGGVLIRGCBG-CEXWTWQISA-N 1 3 332.488 2.546 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000237087075 474335264 /nfs/dbraw/zinc/33/52/64/474335264.db2.gz DDWONJUIKMDIJW-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237100599 474338237 /nfs/dbraw/zinc/33/82/37/474338237.db2.gz YVDXNJYMFSCUOQ-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000237124653 474343000 /nfs/dbraw/zinc/34/30/00/474343000.db2.gz MYTGTAZRKZJVJZ-QGPMSJSTSA-N 1 3 335.517 2.779 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237190909 474353917 /nfs/dbraw/zinc/35/39/17/474353917.db2.gz ITHPEOGSCLLFSD-PMACEKPBSA-N 1 3 339.483 2.756 20 0 EFADHO CN(C)CCOc1ccccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237185285 474354419 /nfs/dbraw/zinc/35/44/19/474354419.db2.gz UBRBAEWXSKEGLX-UHFFFAOYSA-N 1 3 347.503 2.669 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000283279271 474358669 /nfs/dbraw/zinc/35/86/69/474358669.db2.gz WDWADDMOYLTQRG-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237237378 474363149 /nfs/dbraw/zinc/36/31/49/474363149.db2.gz YVDXNJYMFSCUOQ-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248589263 474369046 /nfs/dbraw/zinc/36/90/46/474369046.db2.gz QVMKVZKGEBVFLR-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248589263 474369054 /nfs/dbraw/zinc/36/90/54/474369054.db2.gz QVMKVZKGEBVFLR-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000248589263 474369058 /nfs/dbraw/zinc/36/90/58/474369058.db2.gz QVMKVZKGEBVFLR-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620529 474380892 /nfs/dbraw/zinc/38/08/92/474380892.db2.gz CIQGMKKUTLQJIU-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620529 474380898 /nfs/dbraw/zinc/38/08/98/474380898.db2.gz CIQGMKKUTLQJIU-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620529 474380903 /nfs/dbraw/zinc/38/09/03/474380903.db2.gz CIQGMKKUTLQJIU-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CSc1ccccc1C[C@@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000183496613 474386046 /nfs/dbraw/zinc/38/60/46/474386046.db2.gz YTAZBVANSLDTAW-QGZVFWFLSA-N 1 3 335.561 2.957 20 0 EFADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000289715397 474391717 /nfs/dbraw/zinc/39/17/17/474391717.db2.gz GXCUAFCVADFVTC-UHFFFAOYSA-N 1 3 347.503 2.656 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000289717498 474392412 /nfs/dbraw/zinc/39/24/12/474392412.db2.gz LDBAAEKDJWUGSN-MOPGFXCFSA-N 1 3 338.467 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000289717498 474392422 /nfs/dbraw/zinc/39/24/22/474392422.db2.gz LDBAAEKDJWUGSN-MOPGFXCFSA-N 1 3 338.467 2.994 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649328 474393024 /nfs/dbraw/zinc/39/30/24/474393024.db2.gz RKWDSQQBAUVHBR-JJXSEGSLSA-N 1 3 325.497 2.895 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649328 474393031 /nfs/dbraw/zinc/39/30/31/474393031.db2.gz RKWDSQQBAUVHBR-JJXSEGSLSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000265938177 474393945 /nfs/dbraw/zinc/39/39/45/474393945.db2.gz GTGPYGWZPGICRL-QFBILLFUSA-N 1 3 329.488 2.695 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667042 474399313 /nfs/dbraw/zinc/39/93/13/474399313.db2.gz OYTYXCJEBAAEKY-YJBOKZPZSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667042 474399320 /nfs/dbraw/zinc/39/93/20/474399320.db2.gz OYTYXCJEBAAEKY-YJBOKZPZSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667042 474399325 /nfs/dbraw/zinc/39/93/25/474399325.db2.gz OYTYXCJEBAAEKY-YJBOKZPZSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237460942 474408807 /nfs/dbraw/zinc/40/88/07/474408807.db2.gz OCDXFIBYPJHNIV-KFKAGJAMSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237460942 474408814 /nfs/dbraw/zinc/40/88/14/474408814.db2.gz OCDXFIBYPJHNIV-KFKAGJAMSA-N 1 3 329.488 2.703 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000237463160 474411058 /nfs/dbraw/zinc/41/10/58/474411058.db2.gz UGRZLZSEILGQMM-MRXNPFEDSA-N 1 3 347.503 2.900 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237465169 474411337 /nfs/dbraw/zinc/41/13/37/474411337.db2.gz OCDXFIBYPJHNIV-ZYSHUDEJSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000237465169 474411345 /nfs/dbraw/zinc/41/13/45/474411345.db2.gz OCDXFIBYPJHNIV-ZYSHUDEJSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000237475071 474412501 /nfs/dbraw/zinc/41/25/01/474412501.db2.gz PMIDGHHFGLNIJS-MRXNPFEDSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000237475071 474412508 /nfs/dbraw/zinc/41/25/08/474412508.db2.gz PMIDGHHFGLNIJS-MRXNPFEDSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000237480377 474414803 /nfs/dbraw/zinc/41/48/03/474414803.db2.gz XMAMFVJRCFFKAK-NEWSRXKRSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237516986 474421695 /nfs/dbraw/zinc/42/16/95/474421695.db2.gz JFJMYBGZXDYBNI-IHPCNDPISA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000237516986 474421701 /nfs/dbraw/zinc/42/17/01/474421701.db2.gz JFJMYBGZXDYBNI-IHPCNDPISA-N 1 3 343.515 2.669 20 0 EFADHO O=C(CN1C[C@@H]2CCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176261031 474423172 /nfs/dbraw/zinc/42/31/72/474423172.db2.gz XKMSPNSRNACZMX-PMACEKPBSA-N 1 3 341.499 2.631 20 0 EFADHO CN(C)Cc1ccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)cc1 ZINC000276120965 474424882 /nfs/dbraw/zinc/42/48/82/474424882.db2.gz BDNZSKWQFCHWDC-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO Cc1nccn1CC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000276126568 474425811 /nfs/dbraw/zinc/42/58/11/474425811.db2.gz AAQHQOTXEDTYHA-IAGOWNOFSA-N 1 3 326.488 2.938 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(OC(C)C)C2)CC1 ZINC000189520071 474428922 /nfs/dbraw/zinc/42/89/22/474428922.db2.gz CNSNFAANYKNAQN-UHFFFAOYSA-N 1 3 345.531 2.870 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000237568144 474431456 /nfs/dbraw/zinc/43/14/56/474431456.db2.gz AXYUJUXLXJBWKS-AHRSYUTCSA-N 1 3 337.467 2.508 20 0 EFADHO C[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237599590 474438487 /nfs/dbraw/zinc/43/84/87/474438487.db2.gz LOQCUXHXSFXENH-QGZVFWFLSA-N 1 3 343.515 2.793 20 0 EFADHO CN(C)CCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000176357767 474449920 /nfs/dbraw/zinc/44/99/20/474449920.db2.gz SUAHWYITTITVTA-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000248849819 474455763 /nfs/dbraw/zinc/45/57/63/474455763.db2.gz DUSMMCVXNMNEEX-JKSUJKDBSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000248849819 474455771 /nfs/dbraw/zinc/45/57/71/474455771.db2.gz DUSMMCVXNMNEEX-JKSUJKDBSA-N 1 3 332.492 2.990 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(CCCC4)C3)CC2)CC1 ZINC000176382542 474457810 /nfs/dbraw/zinc/45/78/10/474457810.db2.gz HRANDDPUBVIYQS-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000237691090 474458270 /nfs/dbraw/zinc/45/82/70/474458270.db2.gz RGPOLIDFKPWECW-APWZRJJASA-N 1 3 325.456 2.917 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237685622 474459078 /nfs/dbraw/zinc/45/90/78/474459078.db2.gz CSLDWVSKNPCMEJ-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237685622 474459084 /nfs/dbraw/zinc/45/90/84/474459084.db2.gz CSLDWVSKNPCMEJ-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000289858776 474459026 /nfs/dbraw/zinc/45/90/26/474459026.db2.gz BOHKKPBGAQPILU-RHSMWYFYSA-N 1 3 336.451 2.912 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000289858776 474459031 /nfs/dbraw/zinc/45/90/31/474459031.db2.gz BOHKKPBGAQPILU-RHSMWYFYSA-N 1 3 336.451 2.912 20 0 EFADHO CCN(C)C(=O)CCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248861514 474460543 /nfs/dbraw/zinc/46/05/43/474460543.db2.gz AFCLKHCPOLXPIQ-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO CCN(C)C(=O)CCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248861514 474460544 /nfs/dbraw/zinc/46/05/44/474460544.db2.gz AFCLKHCPOLXPIQ-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000237701554 474460576 /nfs/dbraw/zinc/46/05/76/474460576.db2.gz QGDBWEJKOJPPEJ-BEFAXECRSA-N 1 3 329.488 2.846 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCCCN2)ccc1OCC[NH+]1CCCC1 ZINC000237722963 474465056 /nfs/dbraw/zinc/46/50/56/474465056.db2.gz QVZMVMDDNXGRLS-QGZVFWFLSA-N 1 3 331.460 2.550 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289881919 474468821 /nfs/dbraw/zinc/46/88/21/474468821.db2.gz WSGDWOVHSLYHOW-ZWKOTPCHSA-N 1 3 346.471 2.919 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189709517 474468968 /nfs/dbraw/zinc/46/89/68/474468968.db2.gz HOLBWJVPKRJDKO-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189709517 474468978 /nfs/dbraw/zinc/46/89/78/474468978.db2.gz HOLBWJVPKRJDKO-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000266750744 474469698 /nfs/dbraw/zinc/46/96/98/474469698.db2.gz NTOLDQROAHFNFF-QZTJIDSGSA-N 1 3 346.519 2.633 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCCCC[NH+](C)C ZINC000176454657 474480652 /nfs/dbraw/zinc/48/06/52/474480652.db2.gz NKCWQBQSVYNDTC-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237820391 474481419 /nfs/dbraw/zinc/48/14/19/474481419.db2.gz OXHFTDLDPVBQCM-DLBZAZTESA-N 1 3 343.496 2.744 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCN(Cc2ccccc2)CC1 ZINC000237876778 474491356 /nfs/dbraw/zinc/49/13/56/474491356.db2.gz QWDAEPJDEKESLF-IHWFROFDSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccsc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000289948857 474499007 /nfs/dbraw/zinc/49/90/07/474499007.db2.gz XROORHLLKDIYOF-UHFFFAOYSA-N 1 3 349.544 2.871 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237958125 474511253 /nfs/dbraw/zinc/51/12/53/474511253.db2.gz YNERFDHZCCLQQM-FQEVSTJZSA-N 1 3 343.515 2.937 20 0 EFADHO CSCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266890111 474518283 /nfs/dbraw/zinc/51/82/83/474518283.db2.gz CIWKOVDEKCBSFE-UHFFFAOYSA-N 1 3 337.533 2.502 20 0 EFADHO Cc1nnc(CCNC2CC[NH+](CCc3ccc(F)cc3)CC2)s1 ZINC000289993711 474520750 /nfs/dbraw/zinc/52/07/50/474520750.db2.gz YONYMNLKCXOCCF-UHFFFAOYSA-N 1 3 348.491 2.825 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000266905743 474524192 /nfs/dbraw/zinc/52/41/92/474524192.db2.gz QZXGEYGBPRVKJI-FXAWDEMLSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000266905743 474524196 /nfs/dbraw/zinc/52/41/96/474524196.db2.gz QZXGEYGBPRVKJI-FXAWDEMLSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000266918341 474530002 /nfs/dbraw/zinc/53/00/02/474530002.db2.gz XYJQDILDOBZOOD-CYBMUJFWSA-N 1 3 341.293 2.947 20 0 EFADHO O=C(CC1CC[NH2+]CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000238140123 474537853 /nfs/dbraw/zinc/53/78/53/474537853.db2.gz UCOWEHJABWCQBW-LJQANCHMSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccc2nc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cn2c1 ZINC000283980194 474540809 /nfs/dbraw/zinc/54/08/09/474540809.db2.gz ODRRXAQWVLFKOZ-IRXDYDNUSA-N 1 3 330.476 2.622 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249263755 474549195 /nfs/dbraw/zinc/54/91/95/474549195.db2.gz HQOHZVVXJUSJOM-RBUKOAKNSA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249263755 474549201 /nfs/dbraw/zinc/54/92/01/474549201.db2.gz HQOHZVVXJUSJOM-RBUKOAKNSA-N 1 3 349.519 2.584 20 0 EFADHO Cc1ccccc1C[C@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000284087803 474568779 /nfs/dbraw/zinc/56/87/79/474568779.db2.gz BIPKRNXSHGOCBY-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245398108 474579903 /nfs/dbraw/zinc/57/99/03/474579903.db2.gz ROAGJLMRPVCSHA-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000245398108 474579908 /nfs/dbraw/zinc/57/99/08/474579908.db2.gz ROAGJLMRPVCSHA-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CCCN(C(=O)C[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249542268 474589587 /nfs/dbraw/zinc/58/95/87/474589587.db2.gz FHMLMVYGURIMHJ-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)OCCNC2 ZINC000625940617 480113592 /nfs/dbraw/zinc/11/35/92/480113592.db2.gz MKISQXLXXGYPGX-UHFFFAOYSA-N 1 3 346.475 2.556 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCSCC1 ZINC000249786231 474616067 /nfs/dbraw/zinc/61/60/67/474616067.db2.gz DLSAXZIAXNFANB-HNAYVOBHSA-N 1 3 334.529 2.875 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249792875 474616869 /nfs/dbraw/zinc/61/68/69/474616869.db2.gz VOEUZBAYFOLNRI-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249792875 474616872 /nfs/dbraw/zinc/61/68/72/474616872.db2.gz VOEUZBAYFOLNRI-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CCNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000184856257 474621906 /nfs/dbraw/zinc/62/19/06/474621906.db2.gz BESAZHYVBICPHG-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](CCNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCCC1 ZINC000184856278 474621982 /nfs/dbraw/zinc/62/19/82/474621982.db2.gz BESAZHYVBICPHG-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO Cn1nccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000284347551 474624132 /nfs/dbraw/zinc/62/41/32/474624132.db2.gz JWONDCXCWBOBKT-PZJWPPBQSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1nccc1CC[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000284347551 474624136 /nfs/dbraw/zinc/62/41/36/474624136.db2.gz JWONDCXCWBOBKT-PZJWPPBQSA-N 1 3 338.499 2.949 20 0 EFADHO C[NH+]1CCC(O)(CN[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000267255212 474629715 /nfs/dbraw/zinc/62/97/15/474629715.db2.gz OXTCLEMKLZUERO-LJQANCHMSA-N 1 3 328.431 2.961 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000267306825 474643176 /nfs/dbraw/zinc/64/31/76/474643176.db2.gz RTTBHWOLSLOMCH-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO Cn1nccc1CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000284458680 474643644 /nfs/dbraw/zinc/64/36/44/474643644.db2.gz RSWMQQIGPDFYQS-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO Cn1nccc1CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000284458680 474643647 /nfs/dbraw/zinc/64/36/47/474643647.db2.gz RSWMQQIGPDFYQS-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278476777 474655491 /nfs/dbraw/zinc/65/54/91/474655491.db2.gz KEUXCUSERVTTOL-JKSUJKDBSA-N 1 3 333.476 2.797 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278476777 474655497 /nfs/dbraw/zinc/65/54/97/474655497.db2.gz KEUXCUSERVTTOL-JKSUJKDBSA-N 1 3 333.476 2.797 20 0 EFADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OCc1ccncc1 ZINC000291715353 474657042 /nfs/dbraw/zinc/65/70/42/474657042.db2.gz LXDIMKRGRGHNKZ-INIZCTEOSA-N 1 3 343.471 2.957 20 0 EFADHO CC(C)[C@@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305051991 474676009 /nfs/dbraw/zinc/67/60/09/474676009.db2.gz CXWWBXQOCQYIGO-FQEVSTJZSA-N 1 3 333.520 2.714 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000252692182 474709275 /nfs/dbraw/zinc/70/92/75/474709275.db2.gz RGNTVPQFPPGVQI-ZIFCJYIRSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000252692182 474709280 /nfs/dbraw/zinc/70/92/80/474709280.db2.gz RGNTVPQFPPGVQI-ZIFCJYIRSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000338900585 474713901 /nfs/dbraw/zinc/71/39/01/474713901.db2.gz IJDXMSMEZYTLHO-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000344397210 474718257 /nfs/dbraw/zinc/71/82/57/474718257.db2.gz XRGZLNYSTGEPTC-CALCHBBNSA-N 1 3 329.488 2.771 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000253336133 474721597 /nfs/dbraw/zinc/72/15/97/474721597.db2.gz HZNIVATUTZXCOS-GIVPXCGWSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000267999914 474745943 /nfs/dbraw/zinc/74/59/43/474745943.db2.gz RWIMKELWHCLKFE-APWZRJJASA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158812 474748914 /nfs/dbraw/zinc/74/89/14/474748914.db2.gz BHSWOBPTOGQMJH-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158812 474748923 /nfs/dbraw/zinc/74/89/23/474748923.db2.gz BHSWOBPTOGQMJH-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636718 474751002 /nfs/dbraw/zinc/75/10/02/474751002.db2.gz ORMIPJRAEFTCMM-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636718 474751012 /nfs/dbraw/zinc/75/10/12/474751012.db2.gz ORMIPJRAEFTCMM-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778095 474792697 /nfs/dbraw/zinc/79/26/97/474792697.db2.gz QVDUWVJFPWOASM-VQIMIIECSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778095 474792705 /nfs/dbraw/zinc/79/27/05/474792705.db2.gz QVDUWVJFPWOASM-VQIMIIECSA-N 1 3 333.520 2.726 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1C ZINC000273238207 474796755 /nfs/dbraw/zinc/79/67/55/474796755.db2.gz YEVZQIZTONKAPH-KRWDZBQOSA-N 1 3 333.520 2.989 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000284849352 474798099 /nfs/dbraw/zinc/79/80/99/474798099.db2.gz CNLTZKXRNMLAMV-KRWDZBQOSA-N 1 3 329.488 2.630 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000284849352 474798107 /nfs/dbraw/zinc/79/81/07/474798107.db2.gz CNLTZKXRNMLAMV-KRWDZBQOSA-N 1 3 329.488 2.630 20 0 EFADHO CSCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000305876761 474802793 /nfs/dbraw/zinc/80/27/93/474802793.db2.gz RQYREURZQXHULZ-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000305876761 474802799 /nfs/dbraw/zinc/80/27/99/474802799.db2.gz RQYREURZQXHULZ-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000305876761 474802803 /nfs/dbraw/zinc/80/28/03/474802803.db2.gz RQYREURZQXHULZ-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO C[NH+](C)C[C@](C)(O)CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337234579 474810125 /nfs/dbraw/zinc/81/01/25/474810125.db2.gz BKFUTZFEEFFQRH-HXUWFJFHSA-N 1 3 348.437 2.999 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)CC(C)C ZINC000340953530 474813686 /nfs/dbraw/zinc/81/36/86/474813686.db2.gz CFVYPMOBRHDKTE-IKGGRYGDSA-N 1 3 326.529 2.525 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)CC(C)C ZINC000340953532 474814723 /nfs/dbraw/zinc/81/47/23/474814723.db2.gz CFVYPMOBRHDKTE-ULQDDVLXSA-N 1 3 326.529 2.525 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000293108891 474817086 /nfs/dbraw/zinc/81/70/86/474817086.db2.gz YHYCOIRUKVVHLG-IBGZPJMESA-N 1 3 332.444 2.602 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CCCOc3ccc4c(c3)OCO4)C2)C1 ZINC000293108891 474817096 /nfs/dbraw/zinc/81/70/96/474817096.db2.gz YHYCOIRUKVVHLG-IBGZPJMESA-N 1 3 332.444 2.602 20 0 EFADHO CN(CCC[NH+]1CCCC1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000284895519 474818127 /nfs/dbraw/zinc/81/81/27/474818127.db2.gz UMVVLTXZZHYXEK-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309942205 474819930 /nfs/dbraw/zinc/81/99/30/474819930.db2.gz MVKIZTSGWMYASG-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(OC(C)(C)C)CC2)CC1 ZINC000337246081 474822000 /nfs/dbraw/zinc/82/20/00/474822000.db2.gz IYJWXRZYJFEPNX-UHFFFAOYSA-N 1 3 325.541 2.682 20 0 EFADHO CC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000310080624 474823533 /nfs/dbraw/zinc/82/35/33/474823533.db2.gz JAGCZIBSUWSVPP-AZUAARDMSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310519654 474828128 /nfs/dbraw/zinc/82/81/28/474828128.db2.gz NGRMXKKDNQSKGF-SOLBZPMBSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310956166 474831594 /nfs/dbraw/zinc/83/15/94/474831594.db2.gz NEVXFVNNLIARKN-JXFKEZNVSA-N 1 3 337.467 2.786 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C12CCC[NH+]1CCC2 ZINC000278785826 474834424 /nfs/dbraw/zinc/83/44/24/474834424.db2.gz HUWFTMUUAQHWRU-INIZCTEOSA-N 1 3 347.528 2.705 20 0 EFADHO c1cc2c(o1)CCC[C@@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000278797388 474840754 /nfs/dbraw/zinc/84/07/54/474840754.db2.gz QVVVOOZQIHZKOQ-IBGZPJMESA-N 1 3 340.471 2.854 20 0 EFADHO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000278816679 474851473 /nfs/dbraw/zinc/85/14/73/474851473.db2.gz PCDKUXQGDZZGQQ-KXBFYZLASA-N 1 3 329.488 2.668 20 0 EFADHO CO[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000293231791 474881091 /nfs/dbraw/zinc/88/10/91/474881091.db2.gz ZGKVHSKPARZPGB-HXUWFJFHSA-N 1 3 331.504 2.732 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000341016111 474883060 /nfs/dbraw/zinc/88/30/60/474883060.db2.gz CCQZKFZJIWVMTH-RWQQGDIJSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000341016111 474883065 /nfs/dbraw/zinc/88/30/65/474883065.db2.gz CCQZKFZJIWVMTH-RWQQGDIJSA-N 1 3 344.503 2.604 20 0 EFADHO C[N@H+](CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150068 474885445 /nfs/dbraw/zinc/88/54/45/474885445.db2.gz CAGKKTQYNOAQAL-WBVHZDCISA-N 1 3 330.538 2.586 20 0 EFADHO C[N@@H+](CCCN[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150068 474885455 /nfs/dbraw/zinc/88/54/55/474885455.db2.gz CAGKKTQYNOAQAL-WBVHZDCISA-N 1 3 330.538 2.586 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000317487225 474887650 /nfs/dbraw/zinc/88/76/50/474887650.db2.gz ZVPRHPDJTAXUMQ-UPJWGTAASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000317487225 474887656 /nfs/dbraw/zinc/88/76/56/474887656.db2.gz ZVPRHPDJTAXUMQ-UPJWGTAASA-N 1 3 347.286 2.805 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000339059756 474890410 /nfs/dbraw/zinc/89/04/10/474890410.db2.gz OUCYNAGYFUZHSA-UWJYYQICSA-N 1 3 344.547 2.971 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000339059756 474890417 /nfs/dbraw/zinc/89/04/17/474890417.db2.gz OUCYNAGYFUZHSA-UWJYYQICSA-N 1 3 344.547 2.971 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCCN(C)CCN(C)C)CCN1Cc1ccccc1 ZINC000623087133 480132415 /nfs/dbraw/zinc/13/24/15/480132415.db2.gz BAZBHALMIVTDBY-PZJWPPBQSA-N 1 3 346.563 2.513 20 0 EFADHO CC[C@H](CO)[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000337324868 474897889 /nfs/dbraw/zinc/89/78/89/474897889.db2.gz USBPGQCWWFCWQT-OAQYLSRUSA-N 1 3 347.547 2.676 20 0 EFADHO CC[C@H](CO)[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000337324868 474897901 /nfs/dbraw/zinc/89/79/01/474897901.db2.gz USBPGQCWWFCWQT-OAQYLSRUSA-N 1 3 347.547 2.676 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000339071054 474899773 /nfs/dbraw/zinc/89/97/73/474899773.db2.gz PTJVMRHWCRQCFH-CABCVRRESA-N 1 3 342.409 3.119 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000339071054 474899784 /nfs/dbraw/zinc/89/97/84/474899784.db2.gz PTJVMRHWCRQCFH-CABCVRRESA-N 1 3 342.409 3.119 20 0 EFADHO CCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000337329653 474902971 /nfs/dbraw/zinc/90/29/71/474902971.db2.gz FCHINIMIJPITNV-GOSISDBHSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341049399 474915398 /nfs/dbraw/zinc/91/53/98/474915398.db2.gz HOUQUEWSCNHCDO-YYIAUSFCSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000341049399 474915406 /nfs/dbraw/zinc/91/54/06/474915406.db2.gz HOUQUEWSCNHCDO-YYIAUSFCSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000337344437 474916825 /nfs/dbraw/zinc/91/68/25/474916825.db2.gz KJMHEUQHJNBSTD-WMZOPIPTSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)C[C@H](CN[C@@H](C)C[C@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000321009780 474920571 /nfs/dbraw/zinc/92/05/71/474920571.db2.gz SEKOHCCOIUCZKF-IPMKNSEASA-N 1 3 325.541 2.634 20 0 EFADHO CCN(CC)Cc1cccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000278933368 474925107 /nfs/dbraw/zinc/92/51/07/474925107.db2.gz FIPDAZTXFIWFIU-OAHLLOKOSA-N 1 3 341.459 2.581 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@@H]21 ZINC000322500035 474939383 /nfs/dbraw/zinc/93/93/83/474939383.db2.gz DGZOJLASWWDSNS-HZSPNIEDSA-N 1 3 332.473 2.790 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000337365980 474943865 /nfs/dbraw/zinc/94/38/65/474943865.db2.gz LIUDKJAEYYDIQC-UHFFFAOYSA-N 1 3 348.491 2.625 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000337376287 474953238 /nfs/dbraw/zinc/95/32/38/474953238.db2.gz RQECSZGYEPMABL-IAGOWNOFSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000337376287 474953243 /nfs/dbraw/zinc/95/32/43/474953243.db2.gz RQECSZGYEPMABL-IAGOWNOFSA-N 1 3 346.519 2.810 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323925292 474958907 /nfs/dbraw/zinc/95/89/07/474958907.db2.gz OVDIVVCQJYGASY-MOPGFXCFSA-N 1 3 329.488 2.629 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2csc(Br)c2)CC1 ZINC000268408240 474963241 /nfs/dbraw/zinc/96/32/41/474963241.db2.gz GPPBNLWVPSUBKJ-UHFFFAOYSA-N 1 3 347.322 2.836 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CC)C1 ZINC000341108811 474982171 /nfs/dbraw/zinc/98/21/71/474982171.db2.gz RVZHSKAAYZATMQ-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN2CC)C1 ZINC000341108811 474982180 /nfs/dbraw/zinc/98/21/80/474982180.db2.gz RVZHSKAAYZATMQ-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000325218088 474984389 /nfs/dbraw/zinc/98/43/89/474984389.db2.gz PJFCYMLJXFJHEV-HKUYNNGSSA-N 1 3 331.504 2.951 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc(OC)c1OC ZINC000261597682 474988610 /nfs/dbraw/zinc/98/86/10/474988610.db2.gz AFBYPWKDMKSCCU-MRXNPFEDSA-N 1 3 334.460 2.676 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@@H]3CCC[NH2+]3)CC1)O[C@H](C)C2 ZINC000325454584 474990020 /nfs/dbraw/zinc/99/00/20/474990020.db2.gz YPIFONXMOBEBEM-KDOFPFPSSA-N 1 3 330.472 2.983 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000261613123 474996828 /nfs/dbraw/zinc/99/68/28/474996828.db2.gz FBFUMQUALDDEDV-APWZRJJASA-N 1 3 331.504 2.903 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000261695485 475029790 /nfs/dbraw/zinc/02/97/90/475029790.db2.gz IWNAOPKVWLPQFY-UHFFFAOYSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H](c1ccccc1Cl)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261707399 475033026 /nfs/dbraw/zinc/03/30/26/475033026.db2.gz PGSCXHUWSQRXAZ-VKJFTORMSA-N 1 3 349.906 2.981 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261703741 475033092 /nfs/dbraw/zinc/03/30/92/475033092.db2.gz CTSDXNMPHGGMGW-WFASDCNBSA-N 1 3 345.409 2.942 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000337455884 475035027 /nfs/dbraw/zinc/03/50/27/475035027.db2.gz JDPFVVHMIMGPBM-IBGZPJMESA-N 1 3 341.499 2.935 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261722562 475039468 /nfs/dbraw/zinc/03/94/68/475039468.db2.gz KFOOFUIRBFWTRC-GDAAHCPNSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000261725624 475040811 /nfs/dbraw/zinc/04/08/11/475040811.db2.gz RDTFRHXHTOMMHH-HZPDHXFCSA-N 1 3 333.476 2.591 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341328222 475041761 /nfs/dbraw/zinc/04/17/61/475041761.db2.gz WVMIMTRQNWKKJN-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341328222 475041769 /nfs/dbraw/zinc/04/17/69/475041769.db2.gz WVMIMTRQNWKKJN-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728045 475041815 /nfs/dbraw/zinc/04/18/15/475041815.db2.gz QVTZRODLKULBEK-HNNXBMFYSA-N 1 3 330.259 2.993 20 0 EFADHO C[C@@]1(CN)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728045 475041821 /nfs/dbraw/zinc/04/18/21/475041821.db2.gz QVTZRODLKULBEK-HNNXBMFYSA-N 1 3 330.259 2.993 20 0 EFADHO C[C@@]1(CN)CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728045 475041832 /nfs/dbraw/zinc/04/18/32/475041832.db2.gz QVTZRODLKULBEK-HNNXBMFYSA-N 1 3 330.259 2.993 20 0 EFADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000268828922 475043153 /nfs/dbraw/zinc/04/31/53/475043153.db2.gz LTYFLJGEBZYYNK-BHIYHBOVSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000268828922 475043160 /nfs/dbraw/zinc/04/31/60/475043160.db2.gz LTYFLJGEBZYYNK-BHIYHBOVSA-N 1 3 331.504 2.838 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000261763877 475055136 /nfs/dbraw/zinc/05/51/36/475055136.db2.gz IFHUTRCAPMRJBA-IEBWSBKVSA-N 1 3 329.488 2.638 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261767286 475056138 /nfs/dbraw/zinc/05/61/38/475056138.db2.gz KDCFLDMBDQORBD-SLFFLAALSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000261772540 475058384 /nfs/dbraw/zinc/05/83/84/475058384.db2.gz XCNUUHRFWICFJB-HBXLWWENSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261778924 475060119 /nfs/dbraw/zinc/06/01/19/475060119.db2.gz LAUTUBKTNICZLE-YTQUADARSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CCCCC1 ZINC000341464558 475062165 /nfs/dbraw/zinc/06/21/65/475062165.db2.gz RKPGPRCWMNIAFG-SFHVURJKSA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268908792 475063909 /nfs/dbraw/zinc/06/39/09/475063909.db2.gz FNDLMZKOBPSSJC-WMZOPIPTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268908792 475063918 /nfs/dbraw/zinc/06/39/18/475063918.db2.gz FNDLMZKOBPSSJC-WMZOPIPTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268908773 475064466 /nfs/dbraw/zinc/06/44/66/475064466.db2.gz FNDLMZKOBPSSJC-AEFFLSMTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268908773 475064473 /nfs/dbraw/zinc/06/44/73/475064473.db2.gz FNDLMZKOBPSSJC-AEFFLSMTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000261795201 475065222 /nfs/dbraw/zinc/06/52/22/475065222.db2.gz ZKFUWIXKPDFGID-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000261807056 475068805 /nfs/dbraw/zinc/06/88/05/475068805.db2.gz RGFDKRSUNXJLQC-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc(OCCN(C)C)c1 ZINC000268916116 475068947 /nfs/dbraw/zinc/06/89/47/475068947.db2.gz NWRXQVHXPMUASD-CQSZACIVSA-N 1 3 347.425 2.772 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261830811 475078905 /nfs/dbraw/zinc/07/89/05/475078905.db2.gz NDEIHXLRHKFQTN-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO COCCOc1ccccc1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261833453 475078931 /nfs/dbraw/zinc/07/89/31/475078931.db2.gz YZCBYEWQCZKTIE-UXHICEINSA-N 1 3 340.467 2.886 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261837026 475079764 /nfs/dbraw/zinc/07/97/64/475079764.db2.gz NOFCNBPAVADNBT-SJORKVTESA-N 1 3 329.488 2.718 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000261872900 475092686 /nfs/dbraw/zinc/09/26/86/475092686.db2.gz XZKADMGJJZPYID-BHIYHBOVSA-N 1 3 347.503 2.569 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000261890489 475101967 /nfs/dbraw/zinc/10/19/67/475101967.db2.gz TVRPJWZAZZUJRC-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)s1 ZINC000268981685 475108295 /nfs/dbraw/zinc/10/82/95/475108295.db2.gz KRMYKNDYSJDLPI-JTQLQIEISA-N 1 3 333.295 2.618 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000268982002 475108831 /nfs/dbraw/zinc/10/88/31/475108831.db2.gz DBDFZRGQAFCVLQ-TWOQFEAHSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc([C@@H](O)CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000268996075 475118357 /nfs/dbraw/zinc/11/83/57/475118357.db2.gz NSAZAGPTTQWCKR-QAPCUYQASA-N 1 3 332.444 2.913 20 0 EFADHO Cc1ccc([C@H](O)CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000268996030 475119484 /nfs/dbraw/zinc/11/94/84/475119484.db2.gz NPBDDHVWXVJZPH-MAUKXSAKSA-N 1 3 332.444 2.913 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000287377053 475121035 /nfs/dbraw/zinc/12/10/35/475121035.db2.gz UEZDUSRQQIELLD-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000269006236 475123880 /nfs/dbraw/zinc/12/38/80/475123880.db2.gz QOMHVOSCVVWXOB-ZDUSSCGKSA-N 1 3 346.500 2.621 20 0 EFADHO O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000261954186 475126776 /nfs/dbraw/zinc/12/67/76/475126776.db2.gz OLHRFZIONJBUBE-CVEARBPZSA-N 1 3 328.378 2.813 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000261978206 475132909 /nfs/dbraw/zinc/13/29/09/475132909.db2.gz GVQOUQUDHSCICW-DLBZAZTESA-N 1 3 331.504 2.616 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000261987047 475136781 /nfs/dbraw/zinc/13/67/81/475136781.db2.gz XMAMFVJRCFFKAK-NZSAHSFTSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000345372760 475136718 /nfs/dbraw/zinc/13/67/18/475136718.db2.gz HFXCPWPKJFFSTC-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000337571656 475139569 /nfs/dbraw/zinc/13/95/69/475139569.db2.gz RMSNUSIMPWNYNG-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000269039058 475140265 /nfs/dbraw/zinc/14/02/65/475140265.db2.gz GGDJIERSJRHYFL-MAUKXSAKSA-N 1 3 338.492 2.849 20 0 EFADHO CCOc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000337578731 475148807 /nfs/dbraw/zinc/14/88/07/475148807.db2.gz LNIHDFOBBPNNPS-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CCOc1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000337578731 475148810 /nfs/dbraw/zinc/14/88/10/475148810.db2.gz LNIHDFOBBPNNPS-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CN(C)Cc1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262021998 475148794 /nfs/dbraw/zinc/14/87/94/475148794.db2.gz IQXXSVUHPSLGFJ-UHFFFAOYSA-N 1 3 344.484 2.924 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262022712 475149324 /nfs/dbraw/zinc/14/93/24/475149324.db2.gz AQOLDEUQEPSGJJ-FRQCXROJSA-N 1 3 347.528 2.781 20 0 EFADHO C[C@@H]([NH2+]CCNc1ccccn1)c1cccc(OCCN(C)C)c1 ZINC000269061604 475153866 /nfs/dbraw/zinc/15/38/66/475153866.db2.gz UHDGVBHXAVPQKY-MRXNPFEDSA-N 1 3 328.460 2.785 20 0 EFADHO C[NH2+]CCC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000262046623 475157124 /nfs/dbraw/zinc/15/71/24/475157124.db2.gz ZBKUYCMBESVSNQ-UHFFFAOYSA-N 1 3 330.451 2.892 20 0 EFADHO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000269070687 475160616 /nfs/dbraw/zinc/16/06/16/475160616.db2.gz ZYMPSZSIOXFNAT-FAEJEUNOSA-N 1 3 347.503 2.582 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269076013 475163704 /nfs/dbraw/zinc/16/37/04/475163704.db2.gz YLNDWLCSMYLFPY-DVFNVHRYSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269076013 475163711 /nfs/dbraw/zinc/16/37/11/475163711.db2.gz YLNDWLCSMYLFPY-DVFNVHRYSA-N 1 3 341.499 2.617 20 0 EFADHO CCC[C@](C)(N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262091113 475169166 /nfs/dbraw/zinc/16/91/66/475169166.db2.gz AESQHWBIDPMXBK-ICSRJNTNSA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@](C)(N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262091113 475169174 /nfs/dbraw/zinc/16/91/74/475169174.db2.gz AESQHWBIDPMXBK-ICSRJNTNSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000262151861 475185505 /nfs/dbraw/zinc/18/55/05/475185505.db2.gz FZUKDIQYIKKASZ-BEFAXECRSA-N 1 3 341.455 2.902 20 0 EFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000262213143 475200249 /nfs/dbraw/zinc/20/02/49/475200249.db2.gz LFIPOOVPKCRECC-IAGOWNOFSA-N 1 3 343.496 2.571 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262228572 475203464 /nfs/dbraw/zinc/20/34/64/475203464.db2.gz NPCMRQGDMKQENZ-KFKAGJAMSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C)N1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000345487868 475217380 /nfs/dbraw/zinc/21/73/80/475217380.db2.gz XYMNMCYDSMWKRX-KURKYZTESA-N 1 3 338.540 2.813 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)CC1 ZINC000262355229 475223746 /nfs/dbraw/zinc/22/37/46/475223746.db2.gz HXGRFZAODVWKGE-IHPCNDPISA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCN1Cc1ccccc1 ZINC000262368639 475225534 /nfs/dbraw/zinc/22/55/34/475225534.db2.gz JTQUPZIARCWOBH-OGWHTMIXSA-N 1 3 329.488 2.544 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000352376853 475232175 /nfs/dbraw/zinc/23/21/75/475232175.db2.gz BFXQHDUGVRWRKJ-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000352376853 475232182 /nfs/dbraw/zinc/23/21/82/475232182.db2.gz BFXQHDUGVRWRKJ-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CC(C)C[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361173923 475243841 /nfs/dbraw/zinc/24/38/41/475243841.db2.gz OXGZLAZGQYUGLU-MOPGFXCFSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361173923 475243846 /nfs/dbraw/zinc/24/38/46/475243846.db2.gz OXGZLAZGQYUGLU-MOPGFXCFSA-N 1 3 331.504 2.951 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000337697398 475249885 /nfs/dbraw/zinc/24/98/85/475249885.db2.gz YZHYMALWTCAJLS-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000337697398 475249895 /nfs/dbraw/zinc/24/98/95/475249895.db2.gz YZHYMALWTCAJLS-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262508885 475254070 /nfs/dbraw/zinc/25/40/70/475254070.db2.gz MDONZRBYXSBFGP-QUCCMNQESA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262508884 475254281 /nfs/dbraw/zinc/25/42/81/475254281.db2.gz MDONZRBYXSBFGP-ICSRJNTNSA-N 1 3 343.515 2.747 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3cc(OC)ccc32)CC1 ZINC000631566727 480157438 /nfs/dbraw/zinc/15/74/38/480157438.db2.gz RJIOUOOFGQVBSE-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO OCC[NH+]1CCC(CNCc2ccc(Sc3ccccn3)o2)CC1 ZINC000352403723 475260301 /nfs/dbraw/zinc/26/03/01/475260301.db2.gz XCZHFRHZWWVHAS-UHFFFAOYSA-N 1 3 347.484 2.620 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H](C)O1 ZINC000296313774 475265256 /nfs/dbraw/zinc/26/52/56/475265256.db2.gz GRQNSABFDGVSRT-WSTZPKSXSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000626019140 480157179 /nfs/dbraw/zinc/15/71/79/480157179.db2.gz MCOVJCOPNPKLLE-LJQANCHMSA-N 1 3 331.504 2.945 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc(OCCN(C)C)c1 ZINC000361216606 475277320 /nfs/dbraw/zinc/27/73/20/475277320.db2.gz NGFSLYHHCQLMIO-QGZVFWFLSA-N 1 3 347.503 2.680 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000296361873 475282789 /nfs/dbraw/zinc/28/27/89/475282789.db2.gz JOGLDURYSYCFDQ-MAUKXSAKSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc(OCCN(C)C)cc1 ZINC000361230922 475288299 /nfs/dbraw/zinc/28/82/99/475288299.db2.gz RCZVEYHNFNRYRA-KRWDZBQOSA-N 1 3 347.503 2.680 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000296397992 475297969 /nfs/dbraw/zinc/29/79/69/475297969.db2.gz LJZUTKYUHNHIBT-HNNXBMFYSA-N 1 3 345.491 2.705 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000296403099 475299091 /nfs/dbraw/zinc/29/90/91/475299091.db2.gz LPDAFTUPCKDDHX-SJORKVTESA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000296403099 475299100 /nfs/dbraw/zinc/29/91/00/475299100.db2.gz LPDAFTUPCKDDHX-SJORKVTESA-N 1 3 348.487 2.729 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000352442910 475300999 /nfs/dbraw/zinc/30/09/99/475300999.db2.gz ZKQXDDKXSKUHTP-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000352442910 475301008 /nfs/dbraw/zinc/30/10/08/475301008.db2.gz ZKQXDDKXSKUHTP-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337762800 475302910 /nfs/dbraw/zinc/30/29/10/475302910.db2.gz AGWDOIRJGKGHMU-MOPGFXCFSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337762800 475302918 /nfs/dbraw/zinc/30/29/18/475302918.db2.gz AGWDOIRJGKGHMU-MOPGFXCFSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCNC(=O)CC1 ZINC000296437469 475315308 /nfs/dbraw/zinc/31/53/08/475315308.db2.gz YXMQNNTZGUCKDR-SFHVURJKSA-N 1 3 344.503 2.536 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CCNC(=O)CC1 ZINC000296437469 475315314 /nfs/dbraw/zinc/31/53/14/475315314.db2.gz YXMQNNTZGUCKDR-SFHVURJKSA-N 1 3 344.503 2.536 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000347752525 475339817 /nfs/dbraw/zinc/33/98/17/475339817.db2.gz JCCHVQQXSXZMKU-GUDVDZBRSA-N 1 3 343.515 2.982 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000358039424 475356218 /nfs/dbraw/zinc/35/62/18/475356218.db2.gz AHVOYFRMMZDLFB-IBGZPJMESA-N 1 3 329.488 2.790 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1(C)C ZINC000296533525 475359872 /nfs/dbraw/zinc/35/98/72/475359872.db2.gz RWEFEBFUHQXWOX-HNNXBMFYSA-N 1 3 336.911 2.728 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345684345 475363566 /nfs/dbraw/zinc/36/35/66/475363566.db2.gz DEERMLDRHMOHSJ-CZUORRHYSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345684345 475363572 /nfs/dbraw/zinc/36/35/72/475363572.db2.gz DEERMLDRHMOHSJ-CZUORRHYSA-N 1 3 339.430 2.660 20 0 EFADHO CSc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358065501 475371512 /nfs/dbraw/zinc/37/15/12/475371512.db2.gz RUZHFUFNPMRRSQ-WMZOPIPTSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358065501 475371521 /nfs/dbraw/zinc/37/15/21/475371521.db2.gz RUZHFUFNPMRRSQ-WMZOPIPTSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000358065501 475371527 /nfs/dbraw/zinc/37/15/27/475371527.db2.gz RUZHFUFNPMRRSQ-WMZOPIPTSA-N 1 3 333.545 2.866 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065817 475371595 /nfs/dbraw/zinc/37/15/95/475371595.db2.gz SPNXETUOIUPVKA-PBHICJAKSA-N 1 3 327.428 2.962 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065817 475371600 /nfs/dbraw/zinc/37/16/00/475371600.db2.gz SPNXETUOIUPVKA-PBHICJAKSA-N 1 3 327.428 2.962 20 0 EFADHO C[C@@H]1CSC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000296564050 475372029 /nfs/dbraw/zinc/37/20/29/475372029.db2.gz VMDUFRLESDXNSE-IEBWSBKVSA-N 1 3 333.545 2.930 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065821 475372993 /nfs/dbraw/zinc/37/29/93/475372993.db2.gz SPNXETUOIUPVKA-YOEHRIQHSA-N 1 3 327.428 2.962 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065821 475373000 /nfs/dbraw/zinc/37/30/00/475373000.db2.gz SPNXETUOIUPVKA-YOEHRIQHSA-N 1 3 327.428 2.962 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345696467 475374601 /nfs/dbraw/zinc/37/46/01/475374601.db2.gz QVCQMJUMRWCCCM-SWLSCSKDSA-N 1 3 325.403 2.840 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345696467 475374605 /nfs/dbraw/zinc/37/46/05/475374605.db2.gz QVCQMJUMRWCCCM-SWLSCSKDSA-N 1 3 325.403 2.840 20 0 EFADHO Cc1cc(C)cc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361347726 475374755 /nfs/dbraw/zinc/37/47/55/475374755.db2.gz YCXYVHSPVDDHMC-QGZVFWFLSA-N 1 3 331.504 2.897 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882251 475381027 /nfs/dbraw/zinc/38/10/27/475381027.db2.gz KGPXBLZZTOOSJC-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882251 475381034 /nfs/dbraw/zinc/38/10/34/475381034.db2.gz KGPXBLZZTOOSJC-LEWJYISDSA-N 1 3 345.531 2.551 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)CC1 ZINC000345705763 475381983 /nfs/dbraw/zinc/38/19/83/475381983.db2.gz ZXEPTDPZQYCVBI-INIZCTEOSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000358082057 475383845 /nfs/dbraw/zinc/38/38/45/475383845.db2.gz VRMYBBNPHBJCPU-HFCFLWKCSA-N 1 3 348.535 2.543 20 0 EFADHO C[C@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000358082057 475383850 /nfs/dbraw/zinc/38/38/50/475383850.db2.gz VRMYBBNPHBJCPU-HFCFLWKCSA-N 1 3 348.535 2.543 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)Cn2ccnc2C)[C@@H](C)C1 ZINC000358081781 475384289 /nfs/dbraw/zinc/38/42/89/475384289.db2.gz IHBBEOMIYBODLQ-LNLFQRSKSA-N 1 3 336.524 2.554 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)Cn2ccnc2C)[C@H](C)C1 ZINC000358081780 475384996 /nfs/dbraw/zinc/38/49/96/475384996.db2.gz IHBBEOMIYBODLQ-LMMKCTJWSA-N 1 3 336.524 2.554 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000345711132 475386927 /nfs/dbraw/zinc/38/69/27/475386927.db2.gz KDOGMJNPAUDXSY-NUEKZKHPSA-N 1 3 339.430 2.653 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000345711132 475386934 /nfs/dbraw/zinc/38/69/34/475386934.db2.gz KDOGMJNPAUDXSY-NUEKZKHPSA-N 1 3 339.430 2.653 20 0 EFADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345727991 475399084 /nfs/dbraw/zinc/39/90/84/475399084.db2.gz ZPKXSVQBFKBLEF-HNNXBMFYSA-N 1 3 325.403 2.984 20 0 EFADHO N[C@H](CC(F)F)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000345727895 475399261 /nfs/dbraw/zinc/39/92/61/475399261.db2.gz VMLHZRPAIFDERS-MRXNPFEDSA-N 1 3 339.430 2.661 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000296652539 475412072 /nfs/dbraw/zinc/41/20/72/475412072.db2.gz TWJWEEKFPGVHFO-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000358126628 475420539 /nfs/dbraw/zinc/42/05/39/475420539.db2.gz BATXWORSCUNVGE-ZHALLVOQSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000358126628 475420544 /nfs/dbraw/zinc/42/05/44/475420544.db2.gz BATXWORSCUNVGE-ZHALLVOQSA-N 1 3 346.519 2.677 20 0 EFADHO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348138600 475420968 /nfs/dbraw/zinc/42/09/68/475420968.db2.gz FYADVGOPSMZRDD-CWRNSKLLSA-N 1 3 330.394 2.800 20 0 EFADHO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348138598 475421574 /nfs/dbraw/zinc/42/15/74/475421574.db2.gz FYADVGOPSMZRDD-BPUTZDHNSA-N 1 3 330.394 2.800 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000358134439 475428687 /nfs/dbraw/zinc/42/86/87/475428687.db2.gz JFJHENSNPTXZBL-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000358134439 475428695 /nfs/dbraw/zinc/42/86/95/475428695.db2.gz JFJHENSNPTXZBL-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000341937142 475429620 /nfs/dbraw/zinc/42/96/20/475429620.db2.gz IBAYFWWHIBDOHD-SJORKVTESA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000358134435 475429911 /nfs/dbraw/zinc/42/99/11/475429911.db2.gz JFJHENSNPTXZBL-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000358134435 475429920 /nfs/dbraw/zinc/42/99/20/475429920.db2.gz JFJHENSNPTXZBL-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000358140721 475435234 /nfs/dbraw/zinc/43/52/34/475435234.db2.gz XRRUAUFMXAELTN-OAHLLOKOSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358140721 475435238 /nfs/dbraw/zinc/43/52/38/475435238.db2.gz XRRUAUFMXAELTN-OAHLLOKOSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358146538 475438629 /nfs/dbraw/zinc/43/86/29/475438629.db2.gz DEXCNQUDDGEXLJ-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000358146538 475438637 /nfs/dbraw/zinc/43/86/37/475438637.db2.gz DEXCNQUDDGEXLJ-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358146539 475439581 /nfs/dbraw/zinc/43/95/81/475439581.db2.gz DEXCNQUDDGEXLJ-NLWGTHIKSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358146539 475439590 /nfs/dbraw/zinc/43/95/90/475439590.db2.gz DEXCNQUDDGEXLJ-NLWGTHIKSA-N 1 3 337.552 2.730 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000337945615 475450139 /nfs/dbraw/zinc/45/01/39/475450139.db2.gz RKOVVPMCNKYROO-IBGZPJMESA-N 1 3 342.487 2.918 20 0 EFADHO CN(CC(=O)NC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354885397 475491044 /nfs/dbraw/zinc/49/10/44/475491044.db2.gz UWZXBGGQEYHXKJ-UHFFFAOYSA-N 1 3 344.503 2.679 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000352677643 475520722 /nfs/dbraw/zinc/52/07/22/475520722.db2.gz OIGPEUATYGGYRH-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000352677643 475520726 /nfs/dbraw/zinc/52/07/26/475520726.db2.gz OIGPEUATYGGYRH-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000338029004 475521984 /nfs/dbraw/zinc/52/19/84/475521984.db2.gz NSGUIGFVXMQWQO-FQEVSTJZSA-N 1 3 343.515 2.683 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@@H]1C ZINC000348255236 475529579 /nfs/dbraw/zinc/52/95/79/475529579.db2.gz IFEGGBHJHURMMO-DLBZAZTESA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@@H]1C ZINC000348255236 475529585 /nfs/dbraw/zinc/52/95/85/475529585.db2.gz IFEGGBHJHURMMO-DLBZAZTESA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000348256772 475531556 /nfs/dbraw/zinc/53/15/56/475531556.db2.gz NMKMQHULFBRRLM-WMZOPIPTSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000348256772 475531567 /nfs/dbraw/zinc/53/15/67/475531567.db2.gz NMKMQHULFBRRLM-WMZOPIPTSA-N 1 3 329.488 2.770 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)COC2 ZINC000361541337 475532002 /nfs/dbraw/zinc/53/20/02/475532002.db2.gz OHOJZLWGXOQGPC-HOTGVXAUSA-N 1 3 330.472 2.868 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000342100396 475556096 /nfs/dbraw/zinc/55/60/96/475556096.db2.gz KDOUBCAIOMGVLJ-WFEDQXDTSA-N 1 3 345.462 2.689 20 0 EFADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000346084957 475557802 /nfs/dbraw/zinc/55/78/02/475557802.db2.gz RANSFUMWPVQZJF-SJLPKXTDSA-N 1 3 347.503 2.712 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000352734110 475577134 /nfs/dbraw/zinc/57/71/34/475577134.db2.gz VSRYNPSDTGSWQN-FQEVSTJZSA-N 1 3 325.456 2.500 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cn1 ZINC000352734110 475577141 /nfs/dbraw/zinc/57/71/41/475577141.db2.gz VSRYNPSDTGSWQN-FQEVSTJZSA-N 1 3 325.456 2.500 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1F ZINC000358311984 475581465 /nfs/dbraw/zinc/58/14/65/475581465.db2.gz AYWYEIBUYHGLFJ-VHSSKADRSA-N 1 3 336.451 2.863 20 0 EFADHO CN(C)C1(CNC(=O)CC2(C[NH3+])CCCCC2)Cc2ccccc2C1 ZINC000361618265 475601948 /nfs/dbraw/zinc/60/19/48/475601948.db2.gz ANCZWGWRXVENKX-UHFFFAOYSA-N 1 3 343.515 2.501 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000355020326 475602149 /nfs/dbraw/zinc/60/21/49/475602149.db2.gz QXICUBYXAOMZPI-SFHVURJKSA-N 1 3 337.483 2.883 20 0 EFADHO Cc1cccc(C)c1[C@H](C)NCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355035809 475613871 /nfs/dbraw/zinc/61/38/71/475613871.db2.gz IJZFDVPKSNFLTG-INIZCTEOSA-N 1 3 329.488 2.697 20 0 EFADHO CCn1cccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000348355695 475615421 /nfs/dbraw/zinc/61/54/21/475615421.db2.gz LMYBUFFOBQKVQL-XLIONFOSSA-N 1 3 339.483 2.868 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000355047571 475623396 /nfs/dbraw/zinc/62/33/96/475623396.db2.gz JUCKWVKMSXDWHX-SFHVURJKSA-N 1 3 337.483 2.883 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000355047566 475624456 /nfs/dbraw/zinc/62/44/56/475624456.db2.gz JUCKWVKMSXDWHX-GOSISDBHSA-N 1 3 337.483 2.883 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000348373766 475626210 /nfs/dbraw/zinc/62/62/10/475626210.db2.gz JADJFBZADBQWNM-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000348373766 475626218 /nfs/dbraw/zinc/62/62/18/475626218.db2.gz JADJFBZADBQWNM-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](N[C@@H](CO)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000358381041 475634624 /nfs/dbraw/zinc/63/46/24/475634624.db2.gz YNCSNFNWRCTJLK-GXTWGEPZSA-N 1 3 334.382 2.591 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339950022 475634955 /nfs/dbraw/zinc/63/49/55/475634955.db2.gz ZSRRHLONGCJOEX-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342814357 475642790 /nfs/dbraw/zinc/64/27/90/475642790.db2.gz WHMWTBNKYZTNOK-HRAATJIYSA-N 1 3 343.515 2.732 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338170090 475646802 /nfs/dbraw/zinc/64/68/02/475646802.db2.gz KZDKXXQHIVZXNJ-RDTXWAMCSA-N 1 3 337.458 2.815 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C ZINC000361690559 475666986 /nfs/dbraw/zinc/66/69/86/475666986.db2.gz YWOVGKGLQUUATA-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@@H]1C ZINC000361690559 475666992 /nfs/dbraw/zinc/66/69/92/475666992.db2.gz YWOVGKGLQUUATA-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358429397 475672868 /nfs/dbraw/zinc/67/28/68/475672868.db2.gz YMHLWVHIQKJKBQ-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358429397 475672877 /nfs/dbraw/zinc/67/28/77/475672877.db2.gz YMHLWVHIQKJKBQ-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000361714008 475689808 /nfs/dbraw/zinc/68/98/08/475689808.db2.gz LVNHZPHJVADVHO-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000361717508 475692678 /nfs/dbraw/zinc/69/26/78/475692678.db2.gz FIRUJYYNQKHKSW-GDBMZVCRSA-N 1 3 335.517 2.909 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000358479409 475711334 /nfs/dbraw/zinc/71/13/34/475711334.db2.gz MOGAURGHQRULIZ-QFBILLFUSA-N 1 3 348.535 2.880 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000358479409 475711345 /nfs/dbraw/zinc/71/13/45/475711345.db2.gz MOGAURGHQRULIZ-QFBILLFUSA-N 1 3 348.535 2.880 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)s1 ZINC000346627806 475714209 /nfs/dbraw/zinc/71/42/09/475714209.db2.gz VDJMJRUZEPRSSI-CYBMUJFWSA-N 1 3 343.924 2.890 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C ZINC000361750794 475718958 /nfs/dbraw/zinc/71/89/58/475718958.db2.gz OWFNTMAPQQKKIE-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C ZINC000361750794 475718966 /nfs/dbraw/zinc/71/89/66/475718966.db2.gz OWFNTMAPQQKKIE-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000361750795 475719761 /nfs/dbraw/zinc/71/97/61/475719761.db2.gz OWFNTMAPQQKKIE-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000361750795 475719768 /nfs/dbraw/zinc/71/97/68/475719768.db2.gz OWFNTMAPQQKKIE-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO C[NH2+]CCC1CCN(Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000346635352 475720145 /nfs/dbraw/zinc/72/01/45/475720145.db2.gz GOISWQCNLXCOSR-UHFFFAOYSA-N 1 3 344.459 2.779 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000358496579 475724549 /nfs/dbraw/zinc/72/45/49/475724549.db2.gz JHBVMPIEUVGNFX-VQIMIIECSA-N 1 3 348.535 2.737 20 0 EFADHO CC(C)(C)OC(=O)NCCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297367044 475727515 /nfs/dbraw/zinc/72/75/15/475727515.db2.gz GDOVAGDEKJOZHB-UHFFFAOYSA-N 1 3 348.491 2.945 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC4(C3)CCCCC4)CC2)CC1 ZINC000355191426 475730715 /nfs/dbraw/zinc/73/07/15/475730715.db2.gz RKEWKSXCPUELIH-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504674 475733454 /nfs/dbraw/zinc/73/34/54/475733454.db2.gz HMHPBZUMDLGMHV-MRXNPFEDSA-N 1 3 329.488 2.502 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508140 475734682 /nfs/dbraw/zinc/73/46/82/475734682.db2.gz OKMRSFCKNWGLQA-SJORKVTESA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510425 475735619 /nfs/dbraw/zinc/73/56/19/475735619.db2.gz RMDJTUBNYWOXKR-HNNXBMFYSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358509461 475736693 /nfs/dbraw/zinc/73/66/93/475736693.db2.gz QBMXLACWTOWUOW-IAGOWNOFSA-N 1 3 329.488 2.636 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000353167003 475738870 /nfs/dbraw/zinc/73/88/70/475738870.db2.gz XTUSNUPLWRWSEZ-TZIWHRDSSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000353167003 475738874 /nfs/dbraw/zinc/73/88/74/475738874.db2.gz XTUSNUPLWRWSEZ-TZIWHRDSSA-N 1 3 345.531 2.811 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C2CC2)CC1 ZINC000358513967 475739482 /nfs/dbraw/zinc/73/94/82/475739482.db2.gz WYFINAXZTDJEEK-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1)C1CC1 ZINC000358514743 475739578 /nfs/dbraw/zinc/73/95/78/475739578.db2.gz XNNSCZAQBBHKKA-UHFFFAOYSA-N 1 3 341.499 2.887 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358517099 475740401 /nfs/dbraw/zinc/74/04/01/475740401.db2.gz OSYAXLKHEOOZFV-KRWDZBQOSA-N 1 3 329.488 2.556 20 0 EFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H](C)CN(C)C ZINC000358525424 475746016 /nfs/dbraw/zinc/74/60/16/475746016.db2.gz OFBABDZEMICZFA-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000346669925 475748646 /nfs/dbraw/zinc/74/86/46/475748646.db2.gz JGDJMRZAHWXKLG-UHFFFAOYSA-N 1 3 346.393 2.958 20 0 EFADHO CC[C@H](COCC(F)(F)F)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297437211 475756747 /nfs/dbraw/zinc/75/67/47/475756747.db2.gz NTTDEXLVZARSFZ-CYBMUJFWSA-N 1 3 331.382 2.998 20 0 EFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000338298397 475760433 /nfs/dbraw/zinc/76/04/33/475760433.db2.gz CMZSBBDMKUXBLR-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000338298397 475760442 /nfs/dbraw/zinc/76/04/42/475760442.db2.gz CMZSBBDMKUXBLR-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CSC1(CNCc2cnc([C@H]3CCCO3)s2)CC[NH+](C)CC1 ZINC000353198176 475762097 /nfs/dbraw/zinc/76/20/97/475762097.db2.gz YQJMJVPHPNDTDI-CQSZACIVSA-N 1 3 341.546 2.912 20 0 EFADHO CSC1(CNCc2cccc3c2OCCCO3)CC[NH+](C)CC1 ZINC000353211126 475773424 /nfs/dbraw/zinc/77/34/24/475773424.db2.gz NIDPJNWWOWOMGL-UHFFFAOYSA-N 1 3 336.501 2.765 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000348628739 475784780 /nfs/dbraw/zinc/78/47/80/475784780.db2.gz VHMIEKBITCIXCV-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000348628739 475784786 /nfs/dbraw/zinc/78/47/86/475784786.db2.gz VHMIEKBITCIXCV-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343133116 475795601 /nfs/dbraw/zinc/79/56/01/475795601.db2.gz NHSQJWKVLRALGF-FPOVZHCZSA-N 1 3 345.531 2.914 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000355289365 475802128 /nfs/dbraw/zinc/80/21/28/475802128.db2.gz JKZZBRKIBWKDNQ-FQEVSTJZSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000355289365 475802132 /nfs/dbraw/zinc/80/21/32/475802132.db2.gz JKZZBRKIBWKDNQ-FQEVSTJZSA-N 1 3 331.504 2.565 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000338345224 475809091 /nfs/dbraw/zinc/80/90/91/475809091.db2.gz BIRIYLYBTMXAHX-IAGOWNOFSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000338345224 475809100 /nfs/dbraw/zinc/80/91/00/475809100.db2.gz BIRIYLYBTMXAHX-IAGOWNOFSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H]([NH3+])CC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000340183559 475835461 /nfs/dbraw/zinc/83/54/61/475835461.db2.gz MXTOAVYAWOCLAT-SFHVURJKSA-N 1 3 339.483 2.932 20 0 EFADHO CCOC(=O)N[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC(C)C ZINC000297647882 475843081 /nfs/dbraw/zinc/84/30/81/475843081.db2.gz MZUMIOIIJAWSQT-QGZVFWFLSA-N 1 3 348.491 2.801 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000346773766 475847926 /nfs/dbraw/zinc/84/79/26/475847926.db2.gz CROVZJJZRPRKMU-QRQLOZEOSA-N 1 3 332.488 2.717 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2Cc3ccccc3O2)[C@H](C)C1 ZINC000346773766 475847935 /nfs/dbraw/zinc/84/79/35/475847935.db2.gz CROVZJJZRPRKMU-QRQLOZEOSA-N 1 3 332.488 2.717 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000358689239 475860978 /nfs/dbraw/zinc/86/09/78/475860978.db2.gz LLVMVLVFNXWNSS-IRXDYDNUSA-N 1 3 344.503 2.544 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000333201670 475868566 /nfs/dbraw/zinc/86/85/66/475868566.db2.gz XZANONSFQJGNII-MJGOQNOKSA-N 1 3 346.471 2.566 20 0 EFADHO COc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC(C)C ZINC000346823729 475886789 /nfs/dbraw/zinc/88/67/89/475886789.db2.gz FRUWYYYPPZHGHL-UHFFFAOYSA-N 1 3 336.476 2.812 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346825076 475888464 /nfs/dbraw/zinc/88/84/64/475888464.db2.gz AJCOFHPLQVFJJC-JCGIZDLHSA-N 1 3 326.444 2.645 20 0 EFADHO c1sc(CCNC2CC[NH+](C3CC3)CC2)nc1-c1ccccn1 ZINC000297808448 475892883 /nfs/dbraw/zinc/89/28/83/475892883.db2.gz XYLRZMZUCUFQOD-UHFFFAOYSA-N 1 3 328.485 2.964 20 0 EFADHO CN(C)[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CCSC1 ZINC000361965773 475901139 /nfs/dbraw/zinc/90/11/39/475901139.db2.gz DRXIZSAVNANIJV-GOSISDBHSA-N 1 3 325.566 2.810 20 0 EFADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000340274074 475907149 /nfs/dbraw/zinc/90/71/49/475907149.db2.gz AKELQNDJMFBLJG-YSTOQKLRSA-N 1 3 337.552 2.823 20 0 EFADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000340274074 475907154 /nfs/dbraw/zinc/90/71/54/475907154.db2.gz AKELQNDJMFBLJG-YSTOQKLRSA-N 1 3 337.552 2.823 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000355407000 475907932 /nfs/dbraw/zinc/90/79/32/475907932.db2.gz CZKODMXWRGSYOX-GGPKGHCWSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000355407000 475907938 /nfs/dbraw/zinc/90/79/38/475907938.db2.gz CZKODMXWRGSYOX-GGPKGHCWSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)no1 ZINC000346853062 475913977 /nfs/dbraw/zinc/91/39/77/475913977.db2.gz LRSNCAKVMVCKMN-SZMVWBNQSA-N 1 3 342.443 2.516 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000338460012 475926174 /nfs/dbraw/zinc/92/61/74/475926174.db2.gz CCYOQPOOFJRVOX-OKZBNKHCSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000338460012 475926177 /nfs/dbraw/zinc/92/61/77/475926177.db2.gz CCYOQPOOFJRVOX-OKZBNKHCSA-N 1 3 338.540 2.526 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000355433886 475934727 /nfs/dbraw/zinc/93/47/27/475934727.db2.gz MUZRQQOPBCXSRS-LJQANCHMSA-N 1 3 346.519 2.923 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000338467816 475934698 /nfs/dbraw/zinc/93/46/98/475934698.db2.gz YXUPOFGZVMBNBQ-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343323682 475951008 /nfs/dbraw/zinc/95/10/08/475951008.db2.gz VFICRECTUMTHMD-SESVDKBCSA-N 1 3 349.563 2.826 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343323682 475951015 /nfs/dbraw/zinc/95/10/15/475951015.db2.gz VFICRECTUMTHMD-SESVDKBCSA-N 1 3 349.563 2.826 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362035178 475953520 /nfs/dbraw/zinc/95/35/20/475953520.db2.gz ZPBGPQQFKOXRSV-QXAKKESOSA-N 1 3 337.552 2.584 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000353427478 475956881 /nfs/dbraw/zinc/95/68/81/475956881.db2.gz LIOBWVPLBBAOJR-OALUTQOASA-N 1 3 343.515 2.574 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000355474425 475969141 /nfs/dbraw/zinc/96/91/41/475969141.db2.gz SFSAPJBWFDMQQI-UHFFFAOYSA-N 1 3 325.884 2.572 20 0 EFADHO NC(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000353446948 475975795 /nfs/dbraw/zinc/97/57/95/475975795.db2.gz KKMLYASFUKZPHF-OAHLLOKOSA-N 1 3 343.393 2.568 20 0 EFADHO CCC(CC)(CNC(=O)C(N)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000353451926 475979231 /nfs/dbraw/zinc/97/92/31/475979231.db2.gz PXZYWEIPGGKBHZ-GXTWGEPZSA-N 1 3 345.409 2.902 20 0 EFADHO CCC(CC)(CNC(=O)C(N)C(F)(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000353451929 475979316 /nfs/dbraw/zinc/97/93/16/475979316.db2.gz PXZYWEIPGGKBHZ-JSGCOSHPSA-N 1 3 345.409 2.902 20 0 EFADHO c1ccc(CN2CCSC[C@@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298108369 475983865 /nfs/dbraw/zinc/98/38/65/475983865.db2.gz OAAQLRSLZSYIHK-FQEVSTJZSA-N 1 3 345.556 2.820 20 0 EFADHO c1ccc(CN2CCSC[C@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298108370 475984161 /nfs/dbraw/zinc/98/41/61/475984161.db2.gz OAAQLRSLZSYIHK-HXUWFJFHSA-N 1 3 345.556 2.820 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1)[NH+](C)C ZINC000353457111 475985654 /nfs/dbraw/zinc/98/56/54/475985654.db2.gz QQYWXZYLAZCQBL-FCEWJHQRSA-N 1 3 344.503 2.522 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000353462468 475989653 /nfs/dbraw/zinc/98/96/53/475989653.db2.gz SSFJXQHIYQISCK-CEXWTWQISA-N 1 3 347.503 2.582 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)CC(C)C ZINC000358856058 475991621 /nfs/dbraw/zinc/99/16/21/475991621.db2.gz JZKLTEXWDTYULY-QZTJIDSGSA-N 1 3 337.483 2.741 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000353466878 475992285 /nfs/dbraw/zinc/99/22/85/475992285.db2.gz KAUPAHPXJANVJF-XFWGSAIBSA-N 1 3 341.499 2.574 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860339 475994250 /nfs/dbraw/zinc/99/42/50/475994250.db2.gz UIBIYALJZVLOTD-YJBOKZPZSA-N 1 3 335.467 2.639 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860339 475994259 /nfs/dbraw/zinc/99/42/59/475994259.db2.gz UIBIYALJZVLOTD-YJBOKZPZSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358861348 475995001 /nfs/dbraw/zinc/99/50/01/475995001.db2.gz GBWXOXIBOIMRGI-LJQANCHMSA-N 1 3 349.494 2.839 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358861348 475995007 /nfs/dbraw/zinc/99/50/07/475995007.db2.gz GBWXOXIBOIMRGI-LJQANCHMSA-N 1 3 349.494 2.839 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353467092 475995048 /nfs/dbraw/zinc/99/50/48/475995048.db2.gz KSQLHISFEAUBEI-BVBHFADKSA-N 1 3 329.488 2.572 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358863252 475995725 /nfs/dbraw/zinc/99/57/25/475995725.db2.gz VRBSIJCAQQNCJP-KRWDZBQOSA-N 1 3 329.419 2.877 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000358863253 475996575 /nfs/dbraw/zinc/99/65/75/475996575.db2.gz VRBSIJCAQQNCJP-QGZVFWFLSA-N 1 3 329.419 2.877 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358862845 475996682 /nfs/dbraw/zinc/99/66/82/475996682.db2.gz YGEYJGBOPUQFHV-RBUKOAKNSA-N 1 3 349.494 2.741 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)N2CCCC2)cc1 ZINC000353471561 475998419 /nfs/dbraw/zinc/99/84/19/475998419.db2.gz SBVKXIHXACVBKI-AABGKKOBSA-N 1 3 343.515 2.882 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000353472533 475998777 /nfs/dbraw/zinc/99/87/77/475998777.db2.gz PWSYNPSGGIXQLV-ICSRJNTNSA-N 1 3 331.504 2.703 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353483691 476009044 /nfs/dbraw/zinc/00/90/44/476009044.db2.gz PBZMOVCPPHAVTR-FZCLSBEQSA-N 1 3 349.544 2.881 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000355532645 476013172 /nfs/dbraw/zinc/01/31/72/476013172.db2.gz ZZAYYYALYKIXOV-QGZVFWFLSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)N(C)Cc1ccccc1 ZINC000358889486 476015773 /nfs/dbraw/zinc/01/57/73/476015773.db2.gz UZEHDOFJYCMTMT-BEFAXECRSA-N 1 3 343.446 2.505 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)C(N)C(F)(F)F)CCCC1)c1ccccc1 ZINC000353499373 476022681 /nfs/dbraw/zinc/02/26/81/476022681.db2.gz AHWBYABDMWCRGQ-JSGCOSHPSA-N 1 3 343.393 2.656 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2CCN(C)C2)n1 ZINC000349947560 476023492 /nfs/dbraw/zinc/02/34/92/476023492.db2.gz LJHIYKLUICEQOS-HNNXBMFYSA-N 1 3 344.459 2.876 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)N(C)C)cc1 ZINC000353508495 476030920 /nfs/dbraw/zinc/03/09/20/476030920.db2.gz GDJJHEUTDIYDIK-GBESFXJTSA-N 1 3 331.504 2.602 20 0 EFADHO CCCCCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347013377 476033493 /nfs/dbraw/zinc/03/34/93/476033493.db2.gz IDKQEBHUIPAAAU-SFHVURJKSA-N 1 3 347.503 2.543 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccccc2OCC[NH+](C)C)[C@@H]1SC ZINC000298257741 476035552 /nfs/dbraw/zinc/03/55/52/476035552.db2.gz FEYHPZWIKOMVOG-NXHRZFHOSA-N 1 3 338.517 2.626 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000298291137 476046068 /nfs/dbraw/zinc/04/60/68/476046068.db2.gz CSLRDLXACUVFQU-JSGCOSHPSA-N 1 3 332.366 2.693 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000353526964 476047261 /nfs/dbraw/zinc/04/72/61/476047261.db2.gz KKQVZJQVQIDNER-UHFFFAOYSA-N 1 3 331.435 2.917 20 0 EFADHO COC(C)(C)[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000340464730 476050943 /nfs/dbraw/zinc/05/09/43/476050943.db2.gz SYXFBNVKYJCJIJ-LJQANCHMSA-N 1 3 347.547 2.988 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000347037471 476052735 /nfs/dbraw/zinc/05/27/35/476052735.db2.gz JSOZMVZCDIWEEP-HNNXBMFYSA-N 1 3 337.483 2.883 20 0 EFADHO CC1(C(=O)N[C@H]2CCN(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000347038563 476053048 /nfs/dbraw/zinc/05/30/48/476053048.db2.gz HDSGCHVTABVWFM-SFHVURJKSA-N 1 3 341.499 2.642 20 0 EFADHO C[NH2+]CC1CCN(Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000347045717 476058319 /nfs/dbraw/zinc/05/83/19/476058319.db2.gz OCKSUFDMELGIOR-UHFFFAOYSA-N 1 3 326.488 2.980 20 0 EFADHO COCCOc1ccccc1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298330814 476059703 /nfs/dbraw/zinc/05/97/03/476059703.db2.gz IUHJOIFBQHMYPK-UHFFFAOYSA-N 1 3 341.455 2.865 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000350141746 476066100 /nfs/dbraw/zinc/06/61/00/476066100.db2.gz FIDHROPMSKWYGI-UHFFFAOYSA-N 1 3 329.492 2.912 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c(c2)nnn3C)CC1 ZINC000350141746 476066104 /nfs/dbraw/zinc/06/61/04/476066104.db2.gz FIDHROPMSKWYGI-UHFFFAOYSA-N 1 3 329.492 2.912 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347075485 476079832 /nfs/dbraw/zinc/07/98/32/476079832.db2.gz UJYLMAUXYXSOMC-KXBFYZLASA-N 1 3 346.471 2.591 20 0 EFADHO Cc1cc([C@@](C)(O)C[NH2+]C2CCN(c3ccncc3)CC2)c(C)o1 ZINC000298407008 476083824 /nfs/dbraw/zinc/08/38/24/476083824.db2.gz LYPFSVORJMOGHW-IBGZPJMESA-N 1 3 329.444 2.758 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343655232 476099086 /nfs/dbraw/zinc/09/90/86/476099086.db2.gz OGMRHKULPBEPMJ-OKZBNKHCSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115422 476104796 /nfs/dbraw/zinc/10/47/96/476104796.db2.gz ABDQILCLIOZCDE-JXFKEZNVSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115422 476104803 /nfs/dbraw/zinc/10/48/03/476104803.db2.gz ABDQILCLIOZCDE-JXFKEZNVSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000343730914 476106914 /nfs/dbraw/zinc/10/69/14/476106914.db2.gz FIDACHXSWKZWOI-VQIMIIECSA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1)N(C)C ZINC000359014670 476115214 /nfs/dbraw/zinc/11/52/14/476115214.db2.gz VJAJITPBJUCLDP-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1)N(C)C ZINC000359014670 476115218 /nfs/dbraw/zinc/11/52/18/476115218.db2.gz VJAJITPBJUCLDP-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000356614077 476116033 /nfs/dbraw/zinc/11/60/33/476116033.db2.gz SVGDJCLVUMLIKU-FHWLQOOXSA-N 1 3 346.519 2.700 20 0 EFADHO CCc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336678875 476124056 /nfs/dbraw/zinc/12/40/56/476124056.db2.gz DENZRRLUSBDMGX-FUHWJXTLSA-N 1 3 326.488 2.983 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336796899 476133827 /nfs/dbraw/zinc/13/38/27/476133827.db2.gz WYHAMHSFCJERQA-IJXRJRJASA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336796899 476133836 /nfs/dbraw/zinc/13/38/36/476133836.db2.gz WYHAMHSFCJERQA-IJXRJRJASA-N 1 3 341.499 2.640 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359039954 476136797 /nfs/dbraw/zinc/13/67/97/476136797.db2.gz OAHOOTCZIFCGMS-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359039954 476136803 /nfs/dbraw/zinc/13/68/03/476136803.db2.gz OAHOOTCZIFCGMS-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCCCC2 ZINC000344101636 476158675 /nfs/dbraw/zinc/15/86/75/476158675.db2.gz MTYNDJWIFWZLSH-IPMKNSEASA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757154 476162364 /nfs/dbraw/zinc/16/23/64/476162364.db2.gz OOSPEOSHVSTGEK-VBQJREDUSA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757154 476162371 /nfs/dbraw/zinc/16/23/71/476162371.db2.gz OOSPEOSHVSTGEK-VBQJREDUSA-N 1 3 337.895 2.932 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344175597 476166413 /nfs/dbraw/zinc/16/64/13/476166413.db2.gz SLLIZYLJHPTSBI-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357043468 476181880 /nfs/dbraw/zinc/18/18/80/476181880.db2.gz GIFGYNJCWMCAPI-QGZVFWFLSA-N 1 3 328.435 2.833 20 0 EFADHO COc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(OC)c1OC ZINC000357043469 476182218 /nfs/dbraw/zinc/18/22/18/476182218.db2.gz GIIGIEQAKFZZQF-HNNXBMFYSA-N 1 3 334.460 2.534 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000347258029 476210290 /nfs/dbraw/zinc/21/02/90/476210290.db2.gz MZZDDDDYLQAUEF-BEFAXECRSA-N 1 3 343.519 2.507 20 0 EFADHO O=C1[C@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000357079413 476212823 /nfs/dbraw/zinc/21/28/23/476212823.db2.gz SIEDTSMGZWCFEL-IEBWSBKVSA-N 1 3 327.472 2.504 20 0 EFADHO CC[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340694723 476212832 /nfs/dbraw/zinc/21/28/32/476212832.db2.gz HTBVZHVEHIZYKW-IBGZPJMESA-N 1 3 329.488 2.773 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357080739 476214332 /nfs/dbraw/zinc/21/43/32/476214332.db2.gz MQQCZLXZWWLWJQ-LPHOPBHVSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357081572 476214957 /nfs/dbraw/zinc/21/49/57/476214957.db2.gz NNIPHNRNRWGABR-YQVWRLOYSA-N 1 3 343.515 2.882 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357081568 476215120 /nfs/dbraw/zinc/21/51/20/476215120.db2.gz NNIPHNRNRWGABR-JENIJYKNSA-N 1 3 343.515 2.882 20 0 EFADHO CC[N@H+](CCC1CCN(CC(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357081987 476216006 /nfs/dbraw/zinc/21/60/06/476216006.db2.gz IZAINUKKVLXUKY-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC[N@@H+](CCC1CCN(CC(=O)N2CCCCC2)CC1)CC1CC1 ZINC000357081987 476216013 /nfs/dbraw/zinc/21/60/13/476216013.db2.gz IZAINUKKVLXUKY-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303060617 476218854 /nfs/dbraw/zinc/21/88/54/476218854.db2.gz LTTLBROMRKPFJW-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303060617 476218860 /nfs/dbraw/zinc/21/88/60/476218860.db2.gz LTTLBROMRKPFJW-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO CCOc1c(OC)cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357086054 476219993 /nfs/dbraw/zinc/21/99/93/476219993.db2.gz RIEVFRCMWIIDQG-QGZVFWFLSA-N 1 3 348.487 2.924 20 0 EFADHO CCOc1c(OC)cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357086053 476220316 /nfs/dbraw/zinc/22/03/16/476220316.db2.gz RIEVFRCMWIIDQG-KRWDZBQOSA-N 1 3 348.487 2.924 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)C2CCN(C3CC3)CC2)CC1 ZINC000338831146 476221491 /nfs/dbraw/zinc/22/14/91/476221491.db2.gz IXTNRIASYHZKHL-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353729589 476223378 /nfs/dbraw/zinc/22/33/78/476223378.db2.gz MJWYTXZDTZOTRP-LJQANCHMSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353729589 476223389 /nfs/dbraw/zinc/22/33/89/476223389.db2.gz MJWYTXZDTZOTRP-LJQANCHMSA-N 1 3 343.515 2.875 20 0 EFADHO COc1ccc([C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000359367544 476226797 /nfs/dbraw/zinc/22/67/97/476226797.db2.gz BOFPKARSDVTEJN-IEBWSBKVSA-N 1 3 347.503 2.569 20 0 EFADHO COc1ccc([C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)cc1 ZINC000359367544 476226805 /nfs/dbraw/zinc/22/68/05/476226805.db2.gz BOFPKARSDVTEJN-IEBWSBKVSA-N 1 3 347.503 2.569 20 0 EFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359376899 476228441 /nfs/dbraw/zinc/22/84/41/476228441.db2.gz VLQXFGJXOQJWOF-KRWDZBQOSA-N 1 3 348.535 2.711 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000344310265 476238708 /nfs/dbraw/zinc/23/87/08/476238708.db2.gz YDDQHOIUSYVMRI-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO Cc1ccc(F)c(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000350559076 476242937 /nfs/dbraw/zinc/24/29/37/476242937.db2.gz RIQUKWFHLZPLFR-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000353750748 476245809 /nfs/dbraw/zinc/24/58/09/476245809.db2.gz YXLZZTTUDJLRTL-AEFFLSMTSA-N 1 3 348.487 2.933 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000353750748 476245814 /nfs/dbraw/zinc/24/58/14/476245814.db2.gz YXLZZTTUDJLRTL-AEFFLSMTSA-N 1 3 348.487 2.933 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752493 476248099 /nfs/dbraw/zinc/24/80/99/476248099.db2.gz GYDBMBUSZNASAZ-NBMJBFSESA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752493 476248104 /nfs/dbraw/zinc/24/81/04/476248104.db2.gz GYDBMBUSZNASAZ-NBMJBFSESA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000362440490 476250944 /nfs/dbraw/zinc/25/09/44/476250944.db2.gz QSYDDCHXGMKETC-FGTMMUONSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000362440490 476250954 /nfs/dbraw/zinc/25/09/54/476250954.db2.gz QSYDDCHXGMKETC-FGTMMUONSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353757300 476251023 /nfs/dbraw/zinc/25/10/23/476251023.db2.gz ZSRGZPDCRPORPL-UHOSZYNNSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353757300 476251031 /nfs/dbraw/zinc/25/10/31/476251031.db2.gz ZSRGZPDCRPORPL-UHOSZYNNSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353757298 476251479 /nfs/dbraw/zinc/25/14/79/476251479.db2.gz ZSRGZPDCRPORPL-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353757298 476251487 /nfs/dbraw/zinc/25/14/87/476251487.db2.gz ZSRGZPDCRPORPL-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000303989531 476257977 /nfs/dbraw/zinc/25/79/77/476257977.db2.gz KQVSAKDHCMBBFF-TZIWHRDSSA-N 1 3 346.515 2.858 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000359718257 476261293 /nfs/dbraw/zinc/26/12/93/476261293.db2.gz PALQCBAHTQLCQX-MOPGFXCFSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000359718257 476261299 /nfs/dbraw/zinc/26/12/99/476261299.db2.gz PALQCBAHTQLCQX-MOPGFXCFSA-N 1 3 331.504 2.599 20 0 EFADHO CCc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000357220307 476294354 /nfs/dbraw/zinc/29/43/54/476294354.db2.gz OYOJHKYMZAJOET-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000357220307 476294355 /nfs/dbraw/zinc/29/43/55/476294355.db2.gz OYOJHKYMZAJOET-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000360549758 476306650 /nfs/dbraw/zinc/30/66/50/476306650.db2.gz LKVOELLEARJKOO-WZOJCFFYSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000360549758 476306651 /nfs/dbraw/zinc/30/66/51/476306651.db2.gz LKVOELLEARJKOO-WZOJCFFYSA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C)N(C)C ZINC000360564965 476307389 /nfs/dbraw/zinc/30/73/89/476307389.db2.gz ZIGCMHLGFYBSPA-RBUKOAKNSA-N 1 3 333.520 2.944 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)N(C)C ZINC000360564965 476307394 /nfs/dbraw/zinc/30/73/94/476307394.db2.gz ZIGCMHLGFYBSPA-RBUKOAKNSA-N 1 3 333.520 2.944 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357268507 476310009 /nfs/dbraw/zinc/31/00/09/476310009.db2.gz FCFUINJFQIBZSD-QRQLOZEOSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357268507 476310011 /nfs/dbraw/zinc/31/00/11/476310011.db2.gz FCFUINJFQIBZSD-QRQLOZEOSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1)N(C)C ZINC000357278792 476313174 /nfs/dbraw/zinc/31/31/74/476313174.db2.gz WZXQEGCWTCNBFK-LMMKCTJWSA-N 1 3 346.519 2.579 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357306986 476324389 /nfs/dbraw/zinc/32/43/89/476324389.db2.gz MCQJFKVKHWVCHS-RRIFGTCXSA-N 1 3 347.478 2.540 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CC2CCC2)CC1 ZINC000351027464 476324489 /nfs/dbraw/zinc/32/44/89/476324489.db2.gz MHGDQATZHOWZHC-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CC2CCC2)CC1 ZINC000351027464 476324491 /nfs/dbraw/zinc/32/44/91/476324491.db2.gz MHGDQATZHOWZHC-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357306985 476324483 /nfs/dbraw/zinc/32/44/83/476324483.db2.gz MCQJFKVKHWVCHS-LFEHRJTNSA-N 1 3 347.478 2.540 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000353926799 476327400 /nfs/dbraw/zinc/32/74/00/476327400.db2.gz GZQIILZJIPMATR-PZJWPPBQSA-N 1 3 346.515 2.938 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1)N(C)C ZINC000357321156 476330784 /nfs/dbraw/zinc/33/07/84/476330784.db2.gz ZYHBXPNOJXKKSM-LMMKCTJWSA-N 1 3 346.519 2.722 20 0 EFADHO CC[C@@H]1CC[C@@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362625233 476331412 /nfs/dbraw/zinc/33/14/12/476331412.db2.gz ZIFDCRWXLLARCR-NVXWUHKLSA-N 1 3 336.524 2.518 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353950810 476333964 /nfs/dbraw/zinc/33/39/64/476333964.db2.gz HAAYDNPHDBGEGB-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353950810 476333968 /nfs/dbraw/zinc/33/39/68/476333968.db2.gz HAAYDNPHDBGEGB-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000357363050 476346344 /nfs/dbraw/zinc/34/63/44/476346344.db2.gz NHZMOYAYISPLCR-DLBZAZTESA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000357376702 476350096 /nfs/dbraw/zinc/35/00/96/476350096.db2.gz BAYVPPKVKSEYEC-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C)Cc1ccccc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000362701451 476355565 /nfs/dbraw/zinc/35/55/65/476355565.db2.gz ZVMXHMVXMICACC-UHFFFAOYSA-N 1 3 341.455 2.941 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000373138465 476379526 /nfs/dbraw/zinc/37/95/26/476379526.db2.gz KOJNRTZTQVYFTA-UHFFFAOYSA-N 1 3 341.499 2.501 20 0 EFADHO Nc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000373233140 476387098 /nfs/dbraw/zinc/38/70/98/476387098.db2.gz DBCPKITYVHPASU-OAQYLSRUSA-N 1 3 336.483 3.152 20 0 EFADHO Nc1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000373233140 476387105 /nfs/dbraw/zinc/38/71/05/476387105.db2.gz DBCPKITYVHPASU-OAQYLSRUSA-N 1 3 336.483 3.152 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000369048292 476387148 /nfs/dbraw/zinc/38/71/48/476387148.db2.gz ODPIDODMKBDMRU-GZMOKQHVSA-N 1 3 341.499 2.545 20 0 EFADHO Nc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000373233139 476387717 /nfs/dbraw/zinc/38/77/17/476387717.db2.gz DBCPKITYVHPASU-NRFANRHFSA-N 1 3 336.483 3.152 20 0 EFADHO Nc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)ccn1 ZINC000373233139 476387722 /nfs/dbraw/zinc/38/77/22/476387722.db2.gz DBCPKITYVHPASU-NRFANRHFSA-N 1 3 336.483 3.152 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000354080779 476412067 /nfs/dbraw/zinc/41/20/67/476412067.db2.gz CNSNQLVBFVHNBG-FQEVSTJZSA-N 1 3 342.487 2.805 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN1CCCC1 ZINC000362810236 476420224 /nfs/dbraw/zinc/42/02/24/476420224.db2.gz XMLMZBUIKNYDIB-FUHWJXTLSA-N 1 3 345.487 2.606 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN1CCCC1 ZINC000362810236 476420230 /nfs/dbraw/zinc/42/02/30/476420230.db2.gz XMLMZBUIKNYDIB-FUHWJXTLSA-N 1 3 345.487 2.606 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000354099564 476425292 /nfs/dbraw/zinc/42/52/92/476425292.db2.gz FTZNOZSTBWQQRD-HXUWFJFHSA-N 1 3 342.487 2.805 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000357529139 476434379 /nfs/dbraw/zinc/43/43/79/476434379.db2.gz CHOPKJFWGNGBMT-WCXIOVBPSA-N 1 3 348.491 2.587 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000357529139 476434382 /nfs/dbraw/zinc/43/43/82/476434382.db2.gz CHOPKJFWGNGBMT-WCXIOVBPSA-N 1 3 348.491 2.587 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000360868150 476440767 /nfs/dbraw/zinc/44/07/67/476440767.db2.gz XFUJRDLVTLKORK-UHFFFAOYSA-N 1 3 348.491 2.625 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3CCN(C4CC4)CC3)C2)CC1 ZINC000369621482 476442948 /nfs/dbraw/zinc/44/29/48/476442948.db2.gz IPBAIMCVKNNGES-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363595157 476452046 /nfs/dbraw/zinc/45/20/46/476452046.db2.gz LWPLXIFMJUCFAX-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000360886623 476455068 /nfs/dbraw/zinc/45/50/68/476455068.db2.gz SBONDZIXOHHBPB-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000360886623 476455071 /nfs/dbraw/zinc/45/50/71/476455071.db2.gz SBONDZIXOHHBPB-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000369669075 476469067 /nfs/dbraw/zinc/46/90/67/476469067.db2.gz WTODWAPECBJZFB-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000354204538 476502004 /nfs/dbraw/zinc/50/20/04/476502004.db2.gz FOELZEUITQYSRI-RDJZCZTQSA-N 1 3 349.544 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@@H]1C ZINC000354204538 476502012 /nfs/dbraw/zinc/50/20/12/476502012.db2.gz FOELZEUITQYSRI-RDJZCZTQSA-N 1 3 349.544 2.828 20 0 EFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354209534 476504620 /nfs/dbraw/zinc/50/46/20/476504620.db2.gz ITOBKYAPIWUTIP-XUXIUFHCSA-N 1 3 328.909 2.940 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000354230949 476524556 /nfs/dbraw/zinc/52/45/56/476524556.db2.gz PNUHCDQZXSKUED-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccco1 ZINC000354231138 476525147 /nfs/dbraw/zinc/52/51/47/476525147.db2.gz QYMLFRCUNMJTKH-QBYUYEEZSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccco1 ZINC000354231138 476525153 /nfs/dbraw/zinc/52/51/53/476525153.db2.gz QYMLFRCUNMJTKH-QBYUYEEZSA-N 1 3 348.491 2.633 20 0 EFADHO CC1CCC(O)(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000357672527 476529611 /nfs/dbraw/zinc/52/96/11/476529611.db2.gz BVDAYPAWMISSQQ-OYBTXZFASA-N 1 3 338.536 2.749 20 0 EFADHO O[C@H](CNCCCc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000361012287 476543728 /nfs/dbraw/zinc/54/37/28/476543728.db2.gz INOUZZRNVURYIX-CYBMUJFWSA-N 1 3 331.287 2.972 20 0 EFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C12CCCN1CCC2 ZINC000377741490 476556555 /nfs/dbraw/zinc/55/65/55/476556555.db2.gz FVUAYKNADZPFKD-UHFFFAOYSA-N 1 3 341.499 2.643 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCCN2CC)[NH+](C)C)cc1 ZINC000354311909 476577508 /nfs/dbraw/zinc/57/75/08/476577508.db2.gz OYLPDFXMATXVPG-OALUTQOASA-N 1 3 331.504 2.842 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N1CCC([NH+]2CCCC2)CC1 ZINC000354336390 476594668 /nfs/dbraw/zinc/59/46/68/476594668.db2.gz XHECXLPALKCUDT-UHFFFAOYSA-N 1 3 341.499 2.522 20 0 EFADHO COC[C@H]1CCCCN(CCC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000369948277 476600727 /nfs/dbraw/zinc/60/07/27/476600727.db2.gz LRWJKSVLMBFNQT-OALUTQOASA-N 1 3 326.525 2.874 20 0 EFADHO COC[C@H]1CCCCN(CCC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000369948277 476600732 /nfs/dbraw/zinc/60/07/32/476600732.db2.gz LRWJKSVLMBFNQT-OALUTQOASA-N 1 3 326.525 2.874 20 0 EFADHO C[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@@H+]1CCCC[C@H]1C ZINC000352271836 476601460 /nfs/dbraw/zinc/60/14/60/476601460.db2.gz FJIJMKHDRCCKEW-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@H+]1CCCC[C@H]1C ZINC000352271836 476601467 /nfs/dbraw/zinc/60/14/67/476601467.db2.gz FJIJMKHDRCCKEW-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361123625 476618220 /nfs/dbraw/zinc/61/82/20/476618220.db2.gz BGQPCDUTZGHBTD-MBOZVWFJSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361123625 476618224 /nfs/dbraw/zinc/61/82/24/476618224.db2.gz BGQPCDUTZGHBTD-MBOZVWFJSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCCCCC1 ZINC000357812312 476623475 /nfs/dbraw/zinc/62/34/75/476623475.db2.gz ZMTGSPZCAHZOBN-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCCCCC1 ZINC000357812312 476623480 /nfs/dbraw/zinc/62/34/80/476623480.db2.gz ZMTGSPZCAHZOBN-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000361136924 476627835 /nfs/dbraw/zinc/62/78/35/476627835.db2.gz TXNNSNJXKLLRBR-FQEVSTJZSA-N 1 3 331.504 2.733 20 0 EFADHO Cn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(C(F)F)n1 ZINC000361143772 476632234 /nfs/dbraw/zinc/63/22/34/476632234.db2.gz LZEZBAGCNBALHQ-HNNXBMFYSA-N 1 3 334.414 2.969 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357835114 476638610 /nfs/dbraw/zinc/63/86/10/476638610.db2.gz OAOXATUGAKDSQR-CYBMUJFWSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCC(C)(C)C[NH+]1CCCC1 ZINC000357835114 476638613 /nfs/dbraw/zinc/63/86/13/476638613.db2.gz OAOXATUGAKDSQR-CYBMUJFWSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944740 476649630 /nfs/dbraw/zinc/64/96/30/476649630.db2.gz RIAMMMKJSMGCRW-ROUUACIJSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944740 476649639 /nfs/dbraw/zinc/64/96/39/476649639.db2.gz RIAMMMKJSMGCRW-ROUUACIJSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000352365789 476665289 /nfs/dbraw/zinc/66/52/89/476665289.db2.gz XAPWECDWCNCISP-FQEVSTJZSA-N 1 3 347.547 2.752 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(CC)CC ZINC000442875231 476702882 /nfs/dbraw/zinc/70/28/82/476702882.db2.gz NLRFEVDXBCDPMC-SJORKVTESA-N 1 3 325.541 2.586 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCCC2 ZINC000442888593 476703945 /nfs/dbraw/zinc/70/39/45/476703945.db2.gz GSZFCYSQIWGFAM-MSOLQXFVSA-N 1 3 337.552 2.730 20 0 EFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443068495 476707792 /nfs/dbraw/zinc/70/77/92/476707792.db2.gz IKLXMMASDJWNGC-GOEBONIOSA-N 1 3 335.517 2.645 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CCN1C/C=C\C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308484 476712094 /nfs/dbraw/zinc/71/20/94/476712094.db2.gz KHWUXWPUEWLEPH-GDCLHOJJSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CCN1C/C=C\C[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308484 476712102 /nfs/dbraw/zinc/71/21/02/476712102.db2.gz KHWUXWPUEWLEPH-GDCLHOJJSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1C/C=C\CN1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308484 476712107 /nfs/dbraw/zinc/71/21/07/476712107.db2.gz KHWUXWPUEWLEPH-GDCLHOJJSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1C/C=C\CN1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443308484 476712113 /nfs/dbraw/zinc/71/21/13/476712113.db2.gz KHWUXWPUEWLEPH-GDCLHOJJSA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1CN ZINC000422635946 476726343 /nfs/dbraw/zinc/72/63/43/476726343.db2.gz MDSPKIGSCHELKJ-IJEWVQPXSA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1CN ZINC000422635946 476726352 /nfs/dbraw/zinc/72/63/52/476726352.db2.gz MDSPKIGSCHELKJ-IJEWVQPXSA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000422635946 476726360 /nfs/dbraw/zinc/72/63/60/476726360.db2.gz MDSPKIGSCHELKJ-IJEWVQPXSA-N 1 3 337.895 2.652 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445027174 476730449 /nfs/dbraw/zinc/73/04/49/476730449.db2.gz DHKUKLRBLYFURI-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445027174 476730454 /nfs/dbraw/zinc/73/04/54/476730454.db2.gz DHKUKLRBLYFURI-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO c1cc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422690891 476731794 /nfs/dbraw/zinc/73/17/94/476731794.db2.gz HHCZGKMDEPDOSV-HSALFYBXSA-N 1 3 328.504 2.556 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422691112 476733951 /nfs/dbraw/zinc/73/39/51/476733951.db2.gz HLKKRJSIUPBMFU-PWRODBHTSA-N 1 3 343.515 2.529 20 0 EFADHO CCOc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000422695894 476734761 /nfs/dbraw/zinc/73/47/61/476734761.db2.gz QKRLMFYPGISCDE-IACUBPJLSA-N 1 3 344.402 2.529 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000422709867 476738072 /nfs/dbraw/zinc/73/80/72/476738072.db2.gz LBGHINMLSXOIHR-QRQLOZEOSA-N 1 3 331.504 2.939 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000381887749 476740957 /nfs/dbraw/zinc/74/09/57/476740957.db2.gz CHIJGYVCYPTGDB-JKSUJKDBSA-N 1 3 327.513 2.953 20 0 EFADHO C[NH2+]C[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422716346 476741552 /nfs/dbraw/zinc/74/15/52/476741552.db2.gz JYVJWTZHCZMYBN-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422719964 476742319 /nfs/dbraw/zinc/74/23/19/476742319.db2.gz RSLQMCIZDHAJGZ-UMSONDCASA-N 1 3 327.516 2.944 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365879505 476747295 /nfs/dbraw/zinc/74/72/95/476747295.db2.gz MBUOOTILKWDTDC-YLJYHZDGSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365879505 476747301 /nfs/dbraw/zinc/74/73/01/476747301.db2.gz MBUOOTILKWDTDC-YLJYHZDGSA-N 1 3 341.499 2.837 20 0 EFADHO C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382735552 476747833 /nfs/dbraw/zinc/74/78/33/476747833.db2.gz HHKLDCUEQRKIKK-RBUKOAKNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422729906 476749356 /nfs/dbraw/zinc/74/93/56/476749356.db2.gz LGTQFYWTWODGQT-COXVUDFISA-N 1 3 341.421 2.867 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422735447 476751595 /nfs/dbraw/zinc/75/15/95/476751595.db2.gz UTXMNCTVFLXVSS-ORAYPTAESA-N 1 3 330.451 2.941 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N(C)C ZINC000422748746 476758505 /nfs/dbraw/zinc/75/85/05/476758505.db2.gz VWADDHUNJVGYRV-VDGAXYAQSA-N 1 3 341.499 2.846 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N(C)C ZINC000422748746 476758511 /nfs/dbraw/zinc/75/85/11/476758511.db2.gz VWADDHUNJVGYRV-VDGAXYAQSA-N 1 3 341.499 2.846 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422753040 476760755 /nfs/dbraw/zinc/76/07/55/476760755.db2.gz DEAZATYBUPQZML-GSEOLPGOSA-N 1 3 332.488 2.586 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422753042 476761476 /nfs/dbraw/zinc/76/14/76/476761476.db2.gz DEAZATYBUPQZML-VBSBHUPXSA-N 1 3 332.488 2.586 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591474 476761661 /nfs/dbraw/zinc/76/16/61/476761661.db2.gz IPWIJNICQLPRQJ-VQTJNVASSA-N 1 3 340.467 2.538 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591474 476761670 /nfs/dbraw/zinc/76/16/70/476761670.db2.gz IPWIJNICQLPRQJ-VQTJNVASSA-N 1 3 340.467 2.538 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422756484 476762391 /nfs/dbraw/zinc/76/23/91/476762391.db2.gz IXIURXORVUSYDT-SXLOBPIMSA-N 1 3 331.504 2.939 20 0 EFADHO Fc1ccccc1CSCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422761998 476764261 /nfs/dbraw/zinc/76/42/61/476764261.db2.gz HYKGFWNPONIMBK-KBAYOESNSA-N 1 3 338.492 2.806 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H]2CSc3ccccc32)CC[NH2+]CC1 ZINC000422760100 476764337 /nfs/dbraw/zinc/76/43/37/476764337.db2.gz LOVZWVAOCCOJIZ-HIFRSBDPSA-N 1 3 334.485 2.744 20 0 EFADHO Fc1ccccc1CSCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422761999 476765071 /nfs/dbraw/zinc/76/50/71/476765071.db2.gz HYKGFWNPONIMBK-RYQLBKOJSA-N 1 3 338.492 2.806 20 0 EFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291789 476767081 /nfs/dbraw/zinc/76/70/81/476767081.db2.gz DAJMAJYNOJKRNY-ICSRJNTNSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291789 476767083 /nfs/dbraw/zinc/76/70/83/476767083.db2.gz DAJMAJYNOJKRNY-ICSRJNTNSA-N 1 3 337.467 2.715 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000422771838 476769842 /nfs/dbraw/zinc/76/98/42/476769842.db2.gz RPHHUQZEBWQHEO-VAMGGRTRSA-N 1 3 331.504 2.568 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000422771837 476769934 /nfs/dbraw/zinc/76/99/34/476769934.db2.gz RPHHUQZEBWQHEO-SLFFLAALSA-N 1 3 331.504 2.568 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000386890352 476770446 /nfs/dbraw/zinc/77/04/46/476770446.db2.gz XRTRFQPMKHBYLH-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](NCc3cnc(-c4ccco4)s3)C2)CC1 ZINC000365942085 476774526 /nfs/dbraw/zinc/77/45/26/476774526.db2.gz RWSHEQUBJNIAPS-CQSZACIVSA-N 1 3 346.500 2.661 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422792921 476778100 /nfs/dbraw/zinc/77/81/00/476778100.db2.gz DXMVNCVVXKZXRJ-JLZZUVOBSA-N 1 3 328.859 2.880 20 0 EFADHO CN(CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422801816 476783606 /nfs/dbraw/zinc/78/36/06/476783606.db2.gz AQPWCSGPLINEBD-PZJWPPBQSA-N 1 3 337.467 2.968 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445867154 476783910 /nfs/dbraw/zinc/78/39/10/476783910.db2.gz SWQOMXOUJMPGFF-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445867154 476783919 /nfs/dbraw/zinc/78/39/19/476783919.db2.gz SWQOMXOUJMPGFF-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000422804793 476784429 /nfs/dbraw/zinc/78/44/29/476784429.db2.gz FQYOKGNYVXRTIM-NEYJZJCJSA-N 1 3 345.531 2.774 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422806160 476785249 /nfs/dbraw/zinc/78/52/49/476785249.db2.gz KIYBSXUCDXMOIT-LEWJYISDSA-N 1 3 344.547 2.757 20 0 EFADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCCCC[C@@H]3[NH3+])CC2)c1 ZINC000422806160 476785257 /nfs/dbraw/zinc/78/52/57/476785257.db2.gz KIYBSXUCDXMOIT-LEWJYISDSA-N 1 3 344.547 2.757 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1Cn1ccnc1 ZINC000422804545 476785477 /nfs/dbraw/zinc/78/54/77/476785477.db2.gz FKOFOWYEZVYANI-UWJYYQICSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422804545 476785485 /nfs/dbraw/zinc/78/54/85/476785485.db2.gz FKOFOWYEZVYANI-UWJYYQICSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422807184 476786275 /nfs/dbraw/zinc/78/62/75/476786275.db2.gz JGHRGTQKQZAKBD-WOUAJJJCSA-N 1 3 331.504 2.513 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422807183 476786475 /nfs/dbraw/zinc/78/64/75/476786475.db2.gz JGHRGTQKQZAKBD-ACZWYYKOSA-N 1 3 331.504 2.513 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000365965023 476787255 /nfs/dbraw/zinc/78/72/55/476787255.db2.gz VJBGUZVLOLVNSX-APWZRJJASA-N 1 3 349.544 2.979 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000365965026 476787558 /nfs/dbraw/zinc/78/75/58/476787558.db2.gz VJBGUZVLOLVNSX-VQIMIIECSA-N 1 3 349.544 2.979 20 0 EFADHO C(=C/C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375338251 476788203 /nfs/dbraw/zinc/78/82/03/476788203.db2.gz QLQGZSVQGHXGRX-HSPNKOPWSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C/C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375338251 476788209 /nfs/dbraw/zinc/78/82/09/476788209.db2.gz QLQGZSVQGHXGRX-HSPNKOPWSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375338251 476788214 /nfs/dbraw/zinc/78/82/14/476788214.db2.gz QLQGZSVQGHXGRX-HSPNKOPWSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375338251 476788218 /nfs/dbraw/zinc/78/82/18/476788218.db2.gz QLQGZSVQGHXGRX-HSPNKOPWSA-N 1 3 334.504 2.829 20 0 EFADHO Cc1cccc(N2CCN(CCCCN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000422815350 476790026 /nfs/dbraw/zinc/79/00/26/476790026.db2.gz XLSXSNUNLLNJPB-PZJWPPBQSA-N 1 3 344.547 2.627 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000422819075 476792969 /nfs/dbraw/zinc/79/29/69/476792969.db2.gz MFBMFBMGIWVLNK-DOTOQJQBSA-N 1 3 333.476 2.785 20 0 EFADHO CCC(CC)[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCOCC1 ZINC000422820504 476794078 /nfs/dbraw/zinc/79/40/78/476794078.db2.gz QYVOUCWHFRCUMV-YYWHXJBOSA-N 1 3 347.547 2.672 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422828256 476797698 /nfs/dbraw/zinc/79/76/98/476797698.db2.gz OEDSINRYLFGEFB-IPMKNSEASA-N 1 3 345.487 2.785 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Br ZINC000422830345 476799473 /nfs/dbraw/zinc/79/94/73/476799473.db2.gz CVKUJAAUGGZKRM-MBNYWOFBSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1ccccc1Br ZINC000422830345 476799482 /nfs/dbraw/zinc/79/94/82/476799482.db2.gz CVKUJAAUGGZKRM-MBNYWOFBSA-N 1 3 327.266 2.933 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842186 476805006 /nfs/dbraw/zinc/80/50/06/476805006.db2.gz FGPGUCDFHKDFDA-MJGOQNOKSA-N 1 3 338.455 2.941 20 0 EFADHO Cc1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422846856 476808129 /nfs/dbraw/zinc/80/81/29/476808129.db2.gz QNFNGWRCWKASHC-GBESFXJTSA-N 1 3 327.472 2.766 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422869254 476820884 /nfs/dbraw/zinc/82/08/84/476820884.db2.gz XASQXUPYOCQUCW-RDTXWAMCSA-N 1 3 333.451 2.537 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2CN)cc1OC(F)F ZINC000422880137 476825720 /nfs/dbraw/zinc/82/57/20/476825720.db2.gz NIIKPZCLSZSJAF-KGLIPLIRSA-N 1 3 328.403 2.946 20 0 EFADHO COc1cc(OC)c(CC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c(OC)c1 ZINC000422885886 476826931 /nfs/dbraw/zinc/82/69/31/476826931.db2.gz HOTDYBJGSLULFN-QZTJIDSGSA-N 1 3 342.439 2.989 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)c(C)c2)CC1 ZINC000392607366 476827769 /nfs/dbraw/zinc/82/77/69/476827769.db2.gz HPJHJVRHCBHWAM-IBGZPJMESA-N 1 3 344.503 2.608 20 0 EFADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000422887657 476829552 /nfs/dbraw/zinc/82/95/52/476829552.db2.gz LFNBMAVKORAHHM-CADMSHOASA-N 1 3 343.515 2.539 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890434 476830291 /nfs/dbraw/zinc/83/02/91/476830291.db2.gz SCQFBHCSAPWJJE-KBAYOESNSA-N 1 3 348.487 2.765 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000366042351 476830712 /nfs/dbraw/zinc/83/07/12/476830712.db2.gz XVPSLCQJUNBZPK-FQEVSTJZSA-N 1 3 341.499 2.594 20 0 EFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)nc1 ZINC000422897727 476833564 /nfs/dbraw/zinc/83/35/64/476833564.db2.gz KHEBTTZZRVHAOZ-PCCBWWKXSA-N 1 3 342.531 2.946 20 0 EFADHO COc1ccc(C2(C[NH2+][C@@H]3CCNCC[C@@H]3C)CCOCC2)cc1 ZINC000422899326 476835187 /nfs/dbraw/zinc/83/51/87/476835187.db2.gz OJXNYSIWMRGANS-QFBILLFUSA-N 1 3 332.488 2.721 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899065 476835282 /nfs/dbraw/zinc/83/52/82/476835282.db2.gz NMXQEWMROYUESD-NOLJZWGESA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899065 476835291 /nfs/dbraw/zinc/83/52/91/476835291.db2.gz NMXQEWMROYUESD-NOLJZWGESA-N 1 3 346.393 2.552 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422908543 476841252 /nfs/dbraw/zinc/84/12/52/476841252.db2.gz MWGHMFXVDYIOEC-VQIMIIECSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908592 476841573 /nfs/dbraw/zinc/84/15/73/476841573.db2.gz YUVUJOKXQXIRIH-JGGQBBKZSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908592 476841578 /nfs/dbraw/zinc/84/15/78/476841578.db2.gz YUVUJOKXQXIRIH-JGGQBBKZSA-N 1 3 346.393 2.552 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCCC[C@H]3C[NH3+])c2)CCO1 ZINC000422907800 476842086 /nfs/dbraw/zinc/84/20/86/476842086.db2.gz XPGSIQQFYHNHOG-UXPWSPDFSA-N 1 3 331.504 2.514 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422907331 476842158 /nfs/dbraw/zinc/84/21/58/476842158.db2.gz WYRBFYDRMMBBMV-HOTGVXAUSA-N 1 3 338.879 2.866 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422921194 476846484 /nfs/dbraw/zinc/84/64/84/476846484.db2.gz NQSRFMKMTSGMTI-PXNSSMCTSA-N 1 3 330.520 2.767 20 0 EFADHO [NH3+]C[C@H]1CCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920704 476846826 /nfs/dbraw/zinc/84/68/26/476846826.db2.gz MSCMCEASTZTAPI-BXKDBHETSA-N 1 3 337.773 2.850 20 0 EFADHO CC[C@@H](Nc1ccc(CN2CCN(CC)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422926387 476848820 /nfs/dbraw/zinc/84/88/20/476848820.db2.gz WTMTXAWXNWVFDJ-UXHICEINSA-N 1 3 330.520 2.767 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000422930021 476850296 /nfs/dbraw/zinc/85/02/96/476850296.db2.gz ASVMYUQECYKZPG-WOCWXWTJSA-N 1 3 331.504 2.513 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000422937923 476854904 /nfs/dbraw/zinc/85/49/04/476854904.db2.gz DHDOLOOZAIFWPA-FXAWDEMLSA-N 1 3 339.483 2.631 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000422937926 476855884 /nfs/dbraw/zinc/85/58/84/476855884.db2.gz DHDOLOOZAIFWPA-YLJYHZDGSA-N 1 3 339.483 2.631 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414058327 476856928 /nfs/dbraw/zinc/85/69/28/476856928.db2.gz HBGGGKYAUMKJAT-DLBZAZTESA-N 1 3 325.541 2.586 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422941532 476857591 /nfs/dbraw/zinc/85/75/91/476857591.db2.gz JKMUIBPZOSFLJT-DOMZBBRYSA-N 1 3 327.266 2.806 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422943012 476857916 /nfs/dbraw/zinc/85/79/16/476857916.db2.gz XJSVQHSMFRVHIO-XKQJLSEDSA-N 1 3 326.868 2.841 20 0 EFADHO C[C@H]1CC[NH2+]C[C@H]1NC1CCN(c2nc3ccccc3s2)CC1 ZINC000422944456 476859477 /nfs/dbraw/zinc/85/94/77/476859477.db2.gz MGSFLOHFEMXFOA-XJKSGUPXSA-N 1 3 330.501 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)CC[C@H]([NH3+])C(C)C ZINC000430563024 476861207 /nfs/dbraw/zinc/86/12/07/476861207.db2.gz HSAQRKOROXCTSM-AWEZNQCLSA-N 1 3 341.883 2.982 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@](C)(C[NH3+])C(C)C ZINC000430575251 476864748 /nfs/dbraw/zinc/86/47/48/476864748.db2.gz PVTBGMDJDZTSEN-INIZCTEOSA-N 1 3 327.856 2.640 20 0 EFADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422957663 476866466 /nfs/dbraw/zinc/86/64/66/476866466.db2.gz USYQJGJZXGCWIF-USXIJHARSA-N 1 3 326.843 2.768 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422964447 476868098 /nfs/dbraw/zinc/86/80/98/476868098.db2.gz LRBRXJFFHQNDHK-DOMZBBRYSA-N 1 3 326.282 2.968 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964447 476868106 /nfs/dbraw/zinc/86/81/06/476868106.db2.gz LRBRXJFFHQNDHK-DOMZBBRYSA-N 1 3 326.282 2.968 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000422961616 476869431 /nfs/dbraw/zinc/86/94/31/476869431.db2.gz CJWCQWFBPJHYOO-UHOSZYNNSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000422961616 476869435 /nfs/dbraw/zinc/86/94/35/476869435.db2.gz CJWCQWFBPJHYOO-UHOSZYNNSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430581073 476869499 /nfs/dbraw/zinc/86/94/99/476869499.db2.gz NOZHMMSPFLMBSC-NEPJUHHUSA-N 1 3 327.831 2.867 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000422967315 476870983 /nfs/dbraw/zinc/87/09/83/476870983.db2.gz SOWHDWMWCRRULN-PMXSJFBMSA-N 1 3 345.531 2.522 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422965229 476871088 /nfs/dbraw/zinc/87/10/88/476871088.db2.gz OAWNJSZSLBMIOV-DOMZBBRYSA-N 1 3 326.282 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175584 476871205 /nfs/dbraw/zinc/87/12/05/476871205.db2.gz TYXHENAYPNCCQX-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175584 476871210 /nfs/dbraw/zinc/87/12/10/476871210.db2.gz TYXHENAYPNCCQX-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1cccc(Br)c1 ZINC000430585791 476871574 /nfs/dbraw/zinc/87/15/74/476871574.db2.gz XJNNWMDVSOMORA-OAHLLOKOSA-N 1 3 342.281 2.741 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422969347 476872598 /nfs/dbraw/zinc/87/25/98/476872598.db2.gz UDYTVMFDSAFJNX-ICSRJNTNSA-N 1 3 332.488 2.989 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430592142 476873033 /nfs/dbraw/zinc/87/30/33/476873033.db2.gz CEWFQVXZINSCHP-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1cc(C[N@H+]2CCCC23CCN(C)CC3)ccc1-n1cncn1 ZINC000375509026 476874043 /nfs/dbraw/zinc/87/40/43/476874043.db2.gz VFLVOHIJPAGLBV-UHFFFAOYSA-N 1 3 325.460 2.636 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC23CCN(C)CC3)ccc1-n1cncn1 ZINC000375509026 476874048 /nfs/dbraw/zinc/87/40/48/476874048.db2.gz VFLVOHIJPAGLBV-UHFFFAOYSA-N 1 3 325.460 2.636 20 0 EFADHO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187225 476874367 /nfs/dbraw/zinc/87/43/67/476874367.db2.gz IETMSNNZFFIDQO-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422975836 476874781 /nfs/dbraw/zinc/87/47/81/476874781.db2.gz HNTBGISUQPJMEA-HLAWJBBLSA-N 1 3 345.531 2.524 20 0 EFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414197795 476875979 /nfs/dbraw/zinc/87/59/79/476875979.db2.gz PZYVJNCTOSLXBF-FQEVSTJZSA-N 1 3 345.531 2.914 20 0 EFADHO [NH3+][C@H]1CCCCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422978430 476876864 /nfs/dbraw/zinc/87/68/64/476876864.db2.gz HDXHQZXELXIIJZ-PMACEKPBSA-N 1 3 331.504 2.963 20 0 EFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000414248292 476876926 /nfs/dbraw/zinc/87/69/26/476876926.db2.gz FPIBQSKCUBCOJS-RDJZCZTQSA-N 1 3 344.565 2.832 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953490 476877971 /nfs/dbraw/zinc/87/79/71/476877971.db2.gz FYIMMBBJTIONHO-OAGGEKHMSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953490 476877977 /nfs/dbraw/zinc/87/79/77/476877977.db2.gz FYIMMBBJTIONHO-OAGGEKHMSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981475 476878300 /nfs/dbraw/zinc/87/83/00/476878300.db2.gz OHMMZPBCBLWJSM-OXJNMPFZSA-N 1 3 331.504 2.691 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422980147 476878397 /nfs/dbraw/zinc/87/83/97/476878397.db2.gz LBLDXXXVFZOVHH-QLIIJSOBSA-N 1 3 332.488 2.813 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007595 476879426 /nfs/dbraw/zinc/87/94/26/476879426.db2.gz ZWQXTZSMEAOBHC-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007595 476879432 /nfs/dbraw/zinc/87/94/32/476879432.db2.gz ZWQXTZSMEAOBHC-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007595 476879439 /nfs/dbraw/zinc/87/94/39/476879439.db2.gz ZWQXTZSMEAOBHC-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988214 476880201 /nfs/dbraw/zinc/88/02/01/476880201.db2.gz IPOJHJUTVALPBL-KEYYUXOJSA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988214 476880210 /nfs/dbraw/zinc/88/02/10/476880210.db2.gz IPOJHJUTVALPBL-KEYYUXOJSA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128306 476880226 /nfs/dbraw/zinc/88/02/26/476880226.db2.gz LSNUYAVQSFEGDW-DQIHPLBOSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128306 476880234 /nfs/dbraw/zinc/88/02/34/476880234.db2.gz LSNUYAVQSFEGDW-DQIHPLBOSA-N 1 3 337.508 2.989 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994413 476882398 /nfs/dbraw/zinc/88/23/98/476882398.db2.gz VLQVICZPIQUZEM-NOLJZWGESA-N 1 3 330.394 2.573 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422994413 476882405 /nfs/dbraw/zinc/88/24/05/476882405.db2.gz VLQVICZPIQUZEM-NOLJZWGESA-N 1 3 330.394 2.573 20 0 EFADHO CN1CCC(C[NH2+]CC2CCC(C)(C)CC2)(N2CCOCC2)CC1 ZINC000414478320 476882481 /nfs/dbraw/zinc/88/24/81/476882481.db2.gz DOANZWCLGAVQDH-UHFFFAOYSA-N 1 3 337.552 2.589 20 0 EFADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422991329 476883483 /nfs/dbraw/zinc/88/34/83/476883483.db2.gz PHXLMQYFGDBMBC-VAMGGRTRSA-N 1 3 332.488 2.765 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cc1OC ZINC000423005125 476888312 /nfs/dbraw/zinc/88/83/12/476888312.db2.gz QUUQLAZLRSAFLW-RDTXWAMCSA-N 1 3 342.439 2.530 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000446580231 476888958 /nfs/dbraw/zinc/88/89/58/476888958.db2.gz AZRXYGURHAOHHD-GOSISDBHSA-N 1 3 344.503 2.883 20 0 EFADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423010708 476890747 /nfs/dbraw/zinc/89/07/47/476890747.db2.gz HFAIYAIQRBJCQT-APHBMKBZSA-N 1 3 326.868 2.623 20 0 EFADHO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000423010708 476890755 /nfs/dbraw/zinc/89/07/55/476890755.db2.gz HFAIYAIQRBJCQT-APHBMKBZSA-N 1 3 326.868 2.623 20 0 EFADHO OC[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423011118 476891182 /nfs/dbraw/zinc/89/11/82/476891182.db2.gz ZBHJWBUDGFQECR-DSKINZAPSA-N 1 3 338.451 2.608 20 0 EFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400536950 476891514 /nfs/dbraw/zinc/89/15/14/476891514.db2.gz TZZDGIFIKOJSHE-HNNXBMFYSA-N 1 3 337.508 2.874 20 0 EFADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000423010711 476891697 /nfs/dbraw/zinc/89/16/97/476891697.db2.gz HFAIYAIQRBJCQT-VBNZEHGJSA-N 1 3 326.868 2.623 20 0 EFADHO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000423010711 476891702 /nfs/dbraw/zinc/89/17/02/476891702.db2.gz HFAIYAIQRBJCQT-VBNZEHGJSA-N 1 3 326.868 2.623 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028850 476896581 /nfs/dbraw/zinc/89/65/81/476896581.db2.gz HFEQBBCLIOLUGL-GDBMZVCRSA-N 1 3 332.423 2.915 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423028677 476896596 /nfs/dbraw/zinc/89/65/96/476896596.db2.gz TVDVSJCARGQPSB-XHDPSFHLSA-N 1 3 327.831 2.692 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000423030139 476896641 /nfs/dbraw/zinc/89/66/41/476896641.db2.gz JEKJRQKNMXNVGE-QMMLZNLJSA-N 1 3 345.531 2.654 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](N)C3)C[C@H]2C1 ZINC000401119045 476897132 /nfs/dbraw/zinc/89/71/32/476897132.db2.gz MYMOLYBYSRJZGC-SIRPWMCASA-N 1 3 337.508 2.882 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952463 476898546 /nfs/dbraw/zinc/89/85/46/476898546.db2.gz QUHYHYAXGKPXKG-MBNYWOFBSA-N 1 3 339.867 2.796 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414952463 476898552 /nfs/dbraw/zinc/89/85/52/476898552.db2.gz QUHYHYAXGKPXKG-MBNYWOFBSA-N 1 3 339.867 2.796 20 0 EFADHO Cc1cc(Br)cn2cc(CCN[C@@H](C)C[C@@H](C)[NH3+])nc12 ZINC000423038166 476901112 /nfs/dbraw/zinc/90/11/12/476901112.db2.gz NXBQMKBHVAHOPX-NEPJUHHUSA-N 1 3 339.281 2.663 20 0 EFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@@H](C)N)nc12 ZINC000423038166 476901120 /nfs/dbraw/zinc/90/11/20/476901120.db2.gz NXBQMKBHVAHOPX-NEPJUHHUSA-N 1 3 339.281 2.663 20 0 EFADHO COc1cc(Br)ccc1CCCN[C@@H](C)C1C[NH2+]C1 ZINC000423038242 476901188 /nfs/dbraw/zinc/90/11/88/476901188.db2.gz YAHLJRPXKGGINP-NSHDSACASA-N 1 3 327.266 2.588 20 0 EFADHO COc1cc(Br)ccc1CCC[NH2+][C@@H](C)C1CNC1 ZINC000423038242 476901194 /nfs/dbraw/zinc/90/11/94/476901194.db2.gz YAHLJRPXKGGINP-NSHDSACASA-N 1 3 327.266 2.588 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000423040762 476902175 /nfs/dbraw/zinc/90/21/75/476902175.db2.gz VCNGMWUPBDQIMC-YTQUADARSA-N 1 3 344.499 2.864 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423040761 476902857 /nfs/dbraw/zinc/90/28/57/476902857.db2.gz VCNGMWUPBDQIMC-QXAKKESOSA-N 1 3 344.499 2.864 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423044392 476903641 /nfs/dbraw/zinc/90/36/41/476903641.db2.gz AMPGPNNZCMZXOM-WCQYABFASA-N 1 3 329.366 2.528 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000414965662 476905135 /nfs/dbraw/zinc/90/51/35/476905135.db2.gz ZVDVLMGTUTZPRC-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370638295 476908136 /nfs/dbraw/zinc/90/81/36/476908136.db2.gz XFKKQYDTCUUVHA-ZHALLVOQSA-N 1 3 345.531 2.945 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370638296 476908767 /nfs/dbraw/zinc/90/87/67/476908767.db2.gz XFKKQYDTCUUVHA-ZIFCJYIRSA-N 1 3 345.531 2.945 20 0 EFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000430760089 476913607 /nfs/dbraw/zinc/91/36/07/476913607.db2.gz IABSJPWZSAGDHT-UXHICEINSA-N 1 3 343.515 2.849 20 0 EFADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423066495 476913772 /nfs/dbraw/zinc/91/37/72/476913772.db2.gz DVRVDMLYPNFUQN-XUVXKRRUSA-N 1 3 341.499 2.585 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H]3CCC[C@@H]3C[NH3+])c2)n1 ZINC000423069256 476914678 /nfs/dbraw/zinc/91/46/78/476914678.db2.gz DKQKBPRLPLPXDZ-CABCVRRESA-N 1 3 345.468 2.814 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000370649506 476915113 /nfs/dbraw/zinc/91/51/13/476915113.db2.gz FEVKZKMUPUCVEL-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000370649506 476915121 /nfs/dbraw/zinc/91/51/21/476915121.db2.gz FEVKZKMUPUCVEL-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366234080 476916734 /nfs/dbraw/zinc/91/67/34/476916734.db2.gz IDIMXNGXTCHEMA-RYGJVYDSSA-N 1 3 340.471 2.695 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366234080 476916740 /nfs/dbraw/zinc/91/67/40/476916740.db2.gz IDIMXNGXTCHEMA-RYGJVYDSSA-N 1 3 340.471 2.695 20 0 EFADHO COC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCCC1 ZINC000446751273 476917302 /nfs/dbraw/zinc/91/73/02/476917302.db2.gz KBXFVHANDUFDDV-NRFANRHFSA-N 1 3 345.531 2.729 20 0 EFADHO C[C@@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423079005 476918999 /nfs/dbraw/zinc/91/89/99/476918999.db2.gz XFIZOGNCYRQCEG-XDKFSHSGSA-N 1 3 338.879 2.854 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423076517 476919151 /nfs/dbraw/zinc/91/91/51/476919151.db2.gz RKTHMXGGVVLJLC-BHIYHBOVSA-N 1 3 333.545 2.582 20 0 EFADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3N)c2)n1 ZINC000423080156 476920018 /nfs/dbraw/zinc/92/00/18/476920018.db2.gz RVWLVCPKTCCGHO-ZIAGYGMSSA-N 1 3 331.441 2.566 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000430842826 476924782 /nfs/dbraw/zinc/92/47/82/476924782.db2.gz VWNWYIRISSWYFP-CEXWTWQISA-N 1 3 329.488 2.675 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000446840040 476925522 /nfs/dbraw/zinc/92/55/22/476925522.db2.gz WPUFBNQNMHTFNF-UHOSZYNNSA-N 1 3 327.476 2.790 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000446840040 476925530 /nfs/dbraw/zinc/92/55/30/476925530.db2.gz WPUFBNQNMHTFNF-UHOSZYNNSA-N 1 3 327.476 2.790 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000430842827 476925555 /nfs/dbraw/zinc/92/55/55/476925555.db2.gz VWNWYIRISSWYFP-GBESFXJTSA-N 1 3 329.488 2.675 20 0 EFADHO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)[C@H]1CCCN1C1CCCCC1 ZINC000423094758 476925601 /nfs/dbraw/zinc/92/56/01/476925601.db2.gz KSKKOKLOWPBDBJ-IYWMVGAKSA-N 1 3 335.536 2.530 20 0 EFADHO C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)[C@H]1CCCN1C1CCCCC1 ZINC000423094759 476926526 /nfs/dbraw/zinc/92/65/26/476926526.db2.gz KSKKOKLOWPBDBJ-UAFMIMERSA-N 1 3 335.536 2.530 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000423100843 476927595 /nfs/dbraw/zinc/92/75/95/476927595.db2.gz HTMXHLCEXAJBAX-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1cc(CN[C@H](C)C[C@@H](C)[NH3+])ccc1I ZINC000423099654 476927728 /nfs/dbraw/zinc/92/77/28/476927728.db2.gz MGDLZCFSXFVINN-GHMZBOCLSA-N 1 3 332.229 2.815 20 0 EFADHO Cc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])ccc1I ZINC000423099655 476928244 /nfs/dbraw/zinc/92/82/44/476928244.db2.gz MGDLZCFSXFVINN-MNOVXSKESA-N 1 3 332.229 2.815 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260087 476928600 /nfs/dbraw/zinc/92/86/00/476928600.db2.gz PWSVYGBFJZWLRY-UHOSZYNNSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260087 476928604 /nfs/dbraw/zinc/92/86/04/476928604.db2.gz PWSVYGBFJZWLRY-UHOSZYNNSA-N 1 3 331.504 2.904 20 0 EFADHO CCCNC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370684378 476932496 /nfs/dbraw/zinc/93/24/96/476932496.db2.gz OFFXWJKLOOCGLG-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000423122257 476936497 /nfs/dbraw/zinc/93/64/97/476936497.db2.gz BYQCJVMSDOCDFR-RCOXNQKVSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423157039 476947726 /nfs/dbraw/zinc/94/77/26/476947726.db2.gz MGAMYDMPVKHYBB-LSDHHAIUSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423157039 476947731 /nfs/dbraw/zinc/94/77/31/476947731.db2.gz MGAMYDMPVKHYBB-LSDHHAIUSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423157037 476947952 /nfs/dbraw/zinc/94/79/52/476947952.db2.gz MGAMYDMPVKHYBB-GJZGRUSLSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423157037 476947954 /nfs/dbraw/zinc/94/79/54/476947954.db2.gz MGAMYDMPVKHYBB-GJZGRUSLSA-N 1 3 332.492 2.523 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 ZINC000430951681 476948065 /nfs/dbraw/zinc/94/80/65/476948065.db2.gz WEINYVBASYBYPN-OFQRWUPVSA-N 1 3 335.517 2.859 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC([C@H](C)[NH3+])CC2)C2CC2)cc1 ZINC000430954100 476949718 /nfs/dbraw/zinc/94/97/18/476949718.db2.gz DLDUOOGWLXWSLN-INIZCTEOSA-N 1 3 329.488 2.545 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430957874 476949757 /nfs/dbraw/zinc/94/97/57/476949757.db2.gz QLLDQBNTTHFXAI-PMPSAXMXSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC/C=C/c1ccc(Br)cc1 ZINC000423163235 476949977 /nfs/dbraw/zinc/94/99/77/476949977.db2.gz VJQSQRRFSKUYHE-YZLKNBCVSA-N 1 3 339.277 2.804 20 0 EFADHO Cc1ccc(C[C@H](CO)CN[C@H](C)C[C@@H](C)[NH3+])cc1Br ZINC000423168522 476951933 /nfs/dbraw/zinc/95/19/33/476951933.db2.gz YGDXEICGYKQCHG-NFAWXSAZSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@@H](C)N)cc1Br ZINC000423168522 476951937 /nfs/dbraw/zinc/95/19/37/476951937.db2.gz YGDXEICGYKQCHG-NFAWXSAZSA-N 1 3 343.309 2.624 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000423172529 476952343 /nfs/dbraw/zinc/95/23/43/476952343.db2.gz UBMCBNAOLAOGGB-HZPDHXFCSA-N 1 3 344.908 2.883 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)CCCC[NH3+])c1 ZINC000423170293 476952862 /nfs/dbraw/zinc/95/28/62/476952862.db2.gz LOAXZLVFRFPHAA-LBPRGKRZSA-N 1 3 332.897 2.741 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000430965969 476953134 /nfs/dbraw/zinc/95/31/34/476953134.db2.gz MYWGVJJSNDTCSA-KXBFYZLASA-N 1 3 329.488 2.582 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2cnccc2C(C)(C)C)CC[NH2+]CC1 ZINC000423173739 476953914 /nfs/dbraw/zinc/95/39/14/476953914.db2.gz ZWZUTESCMFBHQG-OAHLLOKOSA-N 1 3 347.503 2.790 20 0 EFADHO Cc1ccc(OC(F)F)c([C@@H](C)NCCCN2CC[NH2+]CC2)c1 ZINC000423175659 476953928 /nfs/dbraw/zinc/95/39/28/476953928.db2.gz FIGLYOIWPAUMDQ-CQSZACIVSA-N 1 3 327.419 2.542 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423176828 476954136 /nfs/dbraw/zinc/95/41/36/476954136.db2.gz IBFRTOKJCLZPHX-GFCCVEGCSA-N 1 3 347.837 2.887 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423174619 476954159 /nfs/dbraw/zinc/95/41/59/476954159.db2.gz BMFAXRMZWOZJIX-GFCCVEGCSA-N 1 3 344.272 2.534 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423176401 476954178 /nfs/dbraw/zinc/95/41/78/476954178.db2.gz CBQAYHVGYVWOSC-GFCCVEGCSA-N 1 3 344.272 2.534 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCCC[C@H]1N ZINC000423177747 476954519 /nfs/dbraw/zinc/95/45/19/476954519.db2.gz HTZHNESCBXOLET-MXEMCNAFSA-N 1 3 345.531 2.773 20 0 EFADHO CCN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000431014168 476960197 /nfs/dbraw/zinc/96/01/97/476960197.db2.gz LUPSBNQKCVBEGJ-MRXNPFEDSA-N 1 3 347.478 2.811 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNCC3)CC[N@@H+](C2CCC2)C1 ZINC000415904231 476963850 /nfs/dbraw/zinc/96/38/50/476963850.db2.gz XYRXTVIMURISMV-HNNXBMFYSA-N 1 3 342.487 2.670 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNCC3)CC[N@H+](C2CCC2)C1 ZINC000415904231 476963857 /nfs/dbraw/zinc/96/38/57/476963857.db2.gz XYRXTVIMURISMV-HNNXBMFYSA-N 1 3 342.487 2.670 20 0 EFADHO CC[C@H](NCCN1CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000423210767 476964984 /nfs/dbraw/zinc/96/49/84/476964984.db2.gz XHUBWPICLDCBHO-HNNXBMFYSA-N 1 3 344.272 2.534 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000431066433 476969359 /nfs/dbraw/zinc/96/93/59/476969359.db2.gz TUYRAMFCARUWEH-NSISKUIASA-N 1 3 337.467 2.681 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000415930910 476973963 /nfs/dbraw/zinc/97/39/63/476973963.db2.gz KFJAQTRCVBMWIM-IBGZPJMESA-N 1 3 330.476 2.746 20 0 EFADHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000423256315 476977909 /nfs/dbraw/zinc/97/79/09/476977909.db2.gz DYYYVNIGPFIFED-NVXWUHKLSA-N 1 3 327.476 2.924 20 0 EFADHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000423263147 476979176 /nfs/dbraw/zinc/97/91/76/476979176.db2.gz WXCCSGPWQWQSJJ-DZGCQCFKSA-N 1 3 331.439 2.755 20 0 EFADHO CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423274762 476980424 /nfs/dbraw/zinc/98/04/24/476980424.db2.gz MJFWMJNYJBYYJH-ZWNOBZJWSA-N 1 3 332.229 2.925 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000415994352 476981730 /nfs/dbraw/zinc/98/17/30/476981730.db2.gz VLHSEMPUGGTWKW-UHFFFAOYSA-N 1 3 326.444 2.789 20 0 EFADHO CCC(N)(CC)C[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000423289984 476983168 /nfs/dbraw/zinc/98/31/68/476983168.db2.gz YWKXFXYHZZXMFQ-CYBMUJFWSA-N 1 3 327.494 2.616 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000415999124 476984063 /nfs/dbraw/zinc/98/40/63/476984063.db2.gz UKNFBOWJUXHYDG-UHFFFAOYSA-N 1 3 328.460 2.772 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[C@@H](C)CCN2)cc1 ZINC000423306189 476987938 /nfs/dbraw/zinc/98/79/38/476987938.db2.gz SLABLEXOORLXLG-MAUKXSAKSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@H](CN)C[NH2+][C@H](C)CCc1ccc(I)cc1 ZINC000423314339 476990136 /nfs/dbraw/zinc/99/01/36/476990136.db2.gz YESBFNFQXDBAKQ-VXGBXAGGSA-N 1 3 346.256 2.797 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000423313197 476990996 /nfs/dbraw/zinc/99/09/96/476990996.db2.gz WJKUIWVTZLRCOU-DNVCBOLYSA-N 1 3 325.456 2.609 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)c1cccc(OC)c1 ZINC000423316158 476992278 /nfs/dbraw/zinc/99/22/78/476992278.db2.gz YBEAWSGUVMYEEF-KFKAGJAMSA-N 1 3 347.503 2.582 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1ccsc1 ZINC000423322319 476993179 /nfs/dbraw/zinc/99/31/79/476993179.db2.gz IDSZQINKJFHUQT-BMFZPTHFSA-N 1 3 325.522 2.867 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1ccsc1 ZINC000423322321 476993718 /nfs/dbraw/zinc/99/37/18/476993718.db2.gz IDSZQINKJFHUQT-IMJJTQAJSA-N 1 3 325.522 2.867 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](C)CCN2)CC1 ZINC000423335991 476997736 /nfs/dbraw/zinc/99/77/36/476997736.db2.gz QGRLSYYMRINKGD-XLIONFOSSA-N 1 3 343.515 2.923 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC2(C[NH3+])CC2)c2ccccc2)CC1 ZINC000423338247 476999398 /nfs/dbraw/zinc/99/93/98/476999398.db2.gz AWKOCBJGXXHOJY-SFHVURJKSA-N 1 3 329.488 2.705 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423336253 476999796 /nfs/dbraw/zinc/99/97/96/476999796.db2.gz UJLALHRICDQGBN-DBVUQKKJSA-N 1 3 345.531 2.805 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423338487 477000232 /nfs/dbraw/zinc/00/02/32/477000232.db2.gz RTXDCKIUADKCPV-BEFAXECRSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423338487 477000236 /nfs/dbraw/zinc/00/02/36/477000236.db2.gz RTXDCKIUADKCPV-BEFAXECRSA-N 1 3 329.488 2.805 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)CC1 ZINC000423343372 477001789 /nfs/dbraw/zinc/00/17/89/477001789.db2.gz WBUVVDZMZQWUBH-LJQANCHMSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@@H](C)[NH3+] ZINC000423353826 477003314 /nfs/dbraw/zinc/00/33/14/477003314.db2.gz MMNGQKCAJOPKQW-WBMJQRKESA-N 1 3 341.883 2.838 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423359303 477004602 /nfs/dbraw/zinc/00/46/02/477004602.db2.gz OTXKCBLWSVNHFX-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423359303 477004607 /nfs/dbraw/zinc/00/46/07/477004607.db2.gz OTXKCBLWSVNHFX-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423356440 477005435 /nfs/dbraw/zinc/00/54/35/477005435.db2.gz JRTYQTGVRHHXFT-FUHWJXTLSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423356440 477005441 /nfs/dbraw/zinc/00/54/41/477005441.db2.gz JRTYQTGVRHHXFT-FUHWJXTLSA-N 1 3 331.504 2.949 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000423365343 477006602 /nfs/dbraw/zinc/00/66/02/477006602.db2.gz WQJOQSOWOPQIDK-WBVHZDCISA-N 1 3 349.544 2.855 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000423368347 477007438 /nfs/dbraw/zinc/00/74/38/477007438.db2.gz RWDKDPDYPMJZTK-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423373496 477009273 /nfs/dbraw/zinc/00/92/73/477009273.db2.gz HPOUVWBZYMMHLW-OAHLLOKOSA-N 1 3 337.467 2.819 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCSc2ccccc21)N1CC[NH2+]CC1 ZINC000423380094 477010970 /nfs/dbraw/zinc/01/09/70/477010970.db2.gz GWYPFKKBBJPWND-DZGCQCFKSA-N 1 3 345.434 2.649 20 0 EFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423389024 477014377 /nfs/dbraw/zinc/01/43/77/477014377.db2.gz NGLUZMNYPKBFSL-GXSJLCMTSA-N 1 3 341.830 2.888 20 0 EFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423393773 477016143 /nfs/dbraw/zinc/01/61/43/477016143.db2.gz RHAXTNLKZMGTEN-SMDDNHRTSA-N 1 3 335.801 2.827 20 0 EFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423393770 477016377 /nfs/dbraw/zinc/01/63/77/477016377.db2.gz RHAXTNLKZMGTEN-FZMZJTMJSA-N 1 3 335.801 2.827 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000423408183 477021256 /nfs/dbraw/zinc/02/12/56/477021256.db2.gz ODDMHOVSDQFPGD-HZPDHXFCSA-N 1 3 325.456 2.957 20 0 EFADHO Cc1cccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000423404297 477021380 /nfs/dbraw/zinc/02/13/80/477021380.db2.gz ZVFOAFALVIGOHL-GDBMZVCRSA-N 1 3 329.410 2.790 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423407049 477021872 /nfs/dbraw/zinc/02/18/72/477021872.db2.gz LQZIDKUUMKVEDV-GOSISDBHSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1 ZINC000423420680 477027745 /nfs/dbraw/zinc/02/77/45/477027745.db2.gz JOTADLQDKFZXNC-AIANPOQGSA-N 1 3 335.517 2.635 20 0 EFADHO COC[C@]1(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCN1 ZINC000423419350 477027771 /nfs/dbraw/zinc/02/77/71/477027771.db2.gz VXUWJLLDHAHIAJ-CMKODMSKSA-N 1 3 332.488 2.729 20 0 EFADHO COC[C@]1(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCN1 ZINC000423419358 477028074 /nfs/dbraw/zinc/02/80/74/477028074.db2.gz VXUWJLLDHAHIAJ-WSTZPKSXSA-N 1 3 332.488 2.729 20 0 EFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423437256 477033668 /nfs/dbraw/zinc/03/36/68/477033668.db2.gz UFCFHJIJDPTVLR-SJBKTWHCSA-N 1 3 349.478 2.719 20 0 EFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488409 477035921 /nfs/dbraw/zinc/03/59/21/477035921.db2.gz IUNLBMYWNGALHA-QFBILLFUSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[C@@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488409 477035924 /nfs/dbraw/zinc/03/59/24/477035924.db2.gz IUNLBMYWNGALHA-QFBILLFUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000423451683 477036129 /nfs/dbraw/zinc/03/61/29/477036129.db2.gz ITAWWSCVTSOXNE-NJAPINKUSA-N 1 3 335.879 2.637 20 0 EFADHO CN(C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147249 477039064 /nfs/dbraw/zinc/03/90/64/477039064.db2.gz AQFYFKKQBQFSPK-MJGOQNOKSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147249 477039070 /nfs/dbraw/zinc/03/90/70/477039070.db2.gz AQFYFKKQBQFSPK-MJGOQNOKSA-N 1 3 329.488 2.813 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423461904 477040056 /nfs/dbraw/zinc/04/00/56/477040056.db2.gz DAIVFMBCYFDNCD-HHXXYDBFSA-N 1 3 349.494 2.755 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495358 477040079 /nfs/dbraw/zinc/04/00/79/477040079.db2.gz GCEZTIZUUYWUPA-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495358 477040084 /nfs/dbraw/zinc/04/00/84/477040084.db2.gz GCEZTIZUUYWUPA-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423461904 477040063 /nfs/dbraw/zinc/04/00/63/477040063.db2.gz DAIVFMBCYFDNCD-HHXXYDBFSA-N 1 3 349.494 2.755 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000366501146 477042525 /nfs/dbraw/zinc/04/25/25/477042525.db2.gz RNDNHLYDFNNVPS-UGUYLWEFSA-N 1 3 343.487 2.654 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000366501146 477042531 /nfs/dbraw/zinc/04/25/31/477042531.db2.gz RNDNHLYDFNNVPS-UGUYLWEFSA-N 1 3 343.487 2.654 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366502033 477042645 /nfs/dbraw/zinc/04/26/45/477042645.db2.gz WIMMRVJIULACPD-FZKCQIBNSA-N 1 3 341.471 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366502033 477042647 /nfs/dbraw/zinc/04/26/47/477042647.db2.gz WIMMRVJIULACPD-FZKCQIBNSA-N 1 3 341.471 2.550 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416156121 477043654 /nfs/dbraw/zinc/04/36/54/477043654.db2.gz AJPMLJQEJSAWQN-IEBWSBKVSA-N 1 3 331.504 2.870 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416156121 477043660 /nfs/dbraw/zinc/04/36/60/477043660.db2.gz AJPMLJQEJSAWQN-IEBWSBKVSA-N 1 3 331.504 2.870 20 0 EFADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000457482424 477044100 /nfs/dbraw/zinc/04/41/00/477044100.db2.gz FKXQLBBQFLGUNO-SFHVURJKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000423484190 477045107 /nfs/dbraw/zinc/04/51/07/477045107.db2.gz ZYPLBCIZFIREER-LBLLVPRASA-N 1 3 331.479 2.734 20 0 EFADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423489554 477046450 /nfs/dbraw/zinc/04/64/50/477046450.db2.gz GJGILNFVHGJPQZ-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000423489554 477046455 /nfs/dbraw/zinc/04/64/55/477046455.db2.gz GJGILNFVHGJPQZ-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO CC(C)(CNC(=O)NCCN1CCCC(C)(C)C1)C[NH+]1CCCC1 ZINC000447812747 477063800 /nfs/dbraw/zinc/06/38/00/477063800.db2.gz SNEAAAHBAJJULA-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000431635842 477065361 /nfs/dbraw/zinc/06/53/61/477065361.db2.gz MSIUUPPUPOWHIV-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423529576 477065831 /nfs/dbraw/zinc/06/58/31/477065831.db2.gz OQYUHUQZARGNCT-AYOQOUSVSA-N 1 3 340.467 2.980 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000431649118 477067627 /nfs/dbraw/zinc/06/76/27/477067627.db2.gz NJUKDKQBVYUZNO-SJLPKXTDSA-N 1 3 338.540 2.526 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cccc(F)c2)cn1 ZINC000423541726 477068824 /nfs/dbraw/zinc/06/88/24/477068824.db2.gz LOGZKMLTKBQMBP-WTLGNFPFSA-N 1 3 328.435 2.626 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C/C=C/C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839261 477072421 /nfs/dbraw/zinc/07/24/21/477072421.db2.gz ITCOWNQJHANDHB-ZLTKQXNISA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C/C=C/C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839261 477072428 /nfs/dbraw/zinc/07/24/28/477072428.db2.gz ITCOWNQJHANDHB-ZLTKQXNISA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1C/C=C/CN1CCCC[C@H]1C[C@H](C)O ZINC000447839261 477072437 /nfs/dbraw/zinc/07/24/37/477072437.db2.gz ITCOWNQJHANDHB-ZLTKQXNISA-N 1 3 338.536 2.793 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C/C=C/CN1CCCC[C@H]1C[C@H](C)O ZINC000447839261 477072443 /nfs/dbraw/zinc/07/24/43/477072443.db2.gz ITCOWNQJHANDHB-ZLTKQXNISA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000423572472 477073352 /nfs/dbraw/zinc/07/33/52/477073352.db2.gz OFALSOHHUSPEFE-HNNXBMFYSA-N 1 3 330.501 2.787 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416235281 477084114 /nfs/dbraw/zinc/08/41/14/477084114.db2.gz SPUMOQAYIKNQNE-FXAWDEMLSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000447977968 477108494 /nfs/dbraw/zinc/10/84/94/477108494.db2.gz OZHWXLALXXQPNV-IKGGRYGDSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000447977968 477108498 /nfs/dbraw/zinc/10/84/98/477108498.db2.gz OZHWXLALXXQPNV-IKGGRYGDSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431850726 477108739 /nfs/dbraw/zinc/10/87/39/477108739.db2.gz KNNUQIIWYORBFH-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431850726 477108748 /nfs/dbraw/zinc/10/87/48/477108748.db2.gz KNNUQIIWYORBFH-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448030820 477118888 /nfs/dbraw/zinc/11/88/88/477118888.db2.gz SVXFJJSAXKJQLX-FHWLQOOXSA-N 1 3 339.568 2.833 20 0 EFADHO COCCn1cc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000375990018 477119754 /nfs/dbraw/zinc/11/97/54/477119754.db2.gz WGEGQMMLNVRDAE-HXUWFJFHSA-N 1 3 342.487 2.531 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035542 477121330 /nfs/dbraw/zinc/12/13/30/477121330.db2.gz QWVMQDPTJWZJSO-QZTJIDSGSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035542 477121331 /nfs/dbraw/zinc/12/13/31/477121331.db2.gz QWVMQDPTJWZJSO-QZTJIDSGSA-N 1 3 346.519 2.709 20 0 EFADHO Cn1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c(-c2cccnc2)n1 ZINC000375997750 477123853 /nfs/dbraw/zinc/12/38/53/477123853.db2.gz CDZLEYRWMNAQHL-UHFFFAOYSA-N 1 3 339.487 2.790 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000423726250 477124728 /nfs/dbraw/zinc/12/47/28/477124728.db2.gz JHJRMDHDSXNEDS-OGWHTMIXSA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000423726250 477124731 /nfs/dbraw/zinc/12/47/31/477124731.db2.gz JHJRMDHDSXNEDS-OGWHTMIXSA-N 1 3 329.488 2.593 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423734035 477125574 /nfs/dbraw/zinc/12/55/74/477125574.db2.gz AMXZNHQYUBVTNF-GOSISDBHSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448101505 477129801 /nfs/dbraw/zinc/12/98/01/477129801.db2.gz CZZVKLAHYQAQSK-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448101505 477129813 /nfs/dbraw/zinc/12/98/13/477129813.db2.gz CZZVKLAHYQAQSK-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448101503 477130465 /nfs/dbraw/zinc/13/04/65/477130465.db2.gz CZZVKLAHYQAQSK-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448101503 477130472 /nfs/dbraw/zinc/13/04/72/477130472.db2.gz CZZVKLAHYQAQSK-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423745713 477130835 /nfs/dbraw/zinc/13/08/35/477130835.db2.gz MTAHZHGOLCNAKV-QUCCMNQESA-N 1 3 343.515 2.542 20 0 EFADHO [NH3+]CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCC1 ZINC000423746991 477131636 /nfs/dbraw/zinc/13/16/36/477131636.db2.gz OLXCKTYEBDNZLD-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000423747327 477131949 /nfs/dbraw/zinc/13/19/49/477131949.db2.gz PCAHVTYMSFZTNT-KRWDZBQOSA-N 1 3 349.906 2.620 20 0 EFADHO CC[C@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022304 477136867 /nfs/dbraw/zinc/13/68/67/477136867.db2.gz SHEQEBNWOIRSSO-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000423768486 477138116 /nfs/dbraw/zinc/13/81/16/477138116.db2.gz XNALCZOZIKCGHR-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C)C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423770692 477139806 /nfs/dbraw/zinc/13/98/06/477139806.db2.gz ICLHZHHMWGIJPT-ZKVVCRCRSA-N 1 3 349.906 2.980 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCCC1 ZINC000448162548 477140147 /nfs/dbraw/zinc/14/01/47/477140147.db2.gz ZKRLFFJYBZMEBX-IRXDYDNUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000423780940 477141247 /nfs/dbraw/zinc/14/12/47/477141247.db2.gz WSHKNSKNXGACNN-AWEZNQCLSA-N 1 3 331.485 2.972 20 0 EFADHO NC[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000423790065 477145681 /nfs/dbraw/zinc/14/56/81/477145681.db2.gz GEHCZRTWJBNKBB-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO N[C@H](Cc1ccccc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797880 477148710 /nfs/dbraw/zinc/14/87/10/477148710.db2.gz NOLCUMJJPMQLLE-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453063130 477156021 /nfs/dbraw/zinc/15/60/21/477156021.db2.gz VDGAREZOCMKJJO-AQNXPRMDSA-N 1 3 341.499 2.545 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000453063130 477156029 /nfs/dbraw/zinc/15/60/29/477156029.db2.gz VDGAREZOCMKJJO-AQNXPRMDSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218263 477156084 /nfs/dbraw/zinc/15/60/84/477156084.db2.gz BQNBMFZRQWENDE-QFBILLFUSA-N 1 3 329.488 2.758 20 0 EFADHO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218263 477156090 /nfs/dbraw/zinc/15/60/90/477156090.db2.gz BQNBMFZRQWENDE-QFBILLFUSA-N 1 3 329.488 2.758 20 0 EFADHO Cc1noc(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371158699 477157775 /nfs/dbraw/zinc/15/77/75/477157775.db2.gz VXBYSKPMFOXQSH-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411227374 477160191 /nfs/dbraw/zinc/16/01/91/477160191.db2.gz MTTUYRRPJZLTME-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411227374 477160201 /nfs/dbraw/zinc/16/02/01/477160201.db2.gz MTTUYRRPJZLTME-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423835378 477174943 /nfs/dbraw/zinc/17/49/43/477174943.db2.gz DLGKMXMQBFIMDJ-OALUTQOASA-N 1 3 344.503 2.544 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000457743801 477176140 /nfs/dbraw/zinc/17/61/40/477176140.db2.gz RBFGCGVJYUEOQB-ROUUACIJSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000457743801 477176144 /nfs/dbraw/zinc/17/61/44/477176144.db2.gz RBFGCGVJYUEOQB-ROUUACIJSA-N 1 3 338.540 2.765 20 0 EFADHO O=C([C@H]1CCCCN1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423837165 477177481 /nfs/dbraw/zinc/17/74/81/477177481.db2.gz AUGGWYPIBZWKHH-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C([C@H]1CCCCN1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423837165 477177485 /nfs/dbraw/zinc/17/74/85/477177485.db2.gz AUGGWYPIBZWKHH-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000423837904 477178360 /nfs/dbraw/zinc/17/83/60/477178360.db2.gz GZHIFWDAHHEXFV-QFBILLFUSA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523460 477183415 /nfs/dbraw/zinc/18/34/15/477183415.db2.gz ZJGHGQQCYKVPOP-DFQSSKMNSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523460 477183421 /nfs/dbraw/zinc/18/34/21/477183421.db2.gz ZJGHGQQCYKVPOP-DFQSSKMNSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423856863 477188538 /nfs/dbraw/zinc/18/85/38/477188538.db2.gz ZZBSUUXURZOPQM-QRQLOZEOSA-N 1 3 331.504 2.921 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000366792810 477189350 /nfs/dbraw/zinc/18/93/50/477189350.db2.gz NMJYRNMSFSHTPF-SBHAEUEKSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@@H+]1Cc1ccccc1 ZINC000423898987 477206467 /nfs/dbraw/zinc/20/64/67/477206467.db2.gz ISIDZOPQQLFRFO-UMGGQSCQSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@H+]1Cc1ccccc1 ZINC000423898987 477206474 /nfs/dbraw/zinc/20/64/74/477206474.db2.gz ISIDZOPQQLFRFO-UMGGQSCQSA-N 1 3 343.515 2.791 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000423899126 477206660 /nfs/dbraw/zinc/20/66/60/477206660.db2.gz IYAQIMCPCJHUKE-FGTMMUONSA-N 1 3 329.488 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@H](N)c3ccccc3)CC[C@@H]21 ZINC000423899126 477206665 /nfs/dbraw/zinc/20/66/65/477206665.db2.gz IYAQIMCPCJHUKE-FGTMMUONSA-N 1 3 329.488 2.655 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@@H+]1Cc1ccccc1 ZINC000423898985 477206811 /nfs/dbraw/zinc/20/68/11/477206811.db2.gz ISIDZOPQQLFRFO-LFGUQSLTSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@H+]1Cc1ccccc1 ZINC000423898985 477206818 /nfs/dbraw/zinc/20/68/18/477206818.db2.gz ISIDZOPQQLFRFO-LFGUQSLTSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@@H+]1Cc1ccccc1 ZINC000423898982 477206903 /nfs/dbraw/zinc/20/69/03/477206903.db2.gz ISIDZOPQQLFRFO-BWPNAZKDSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[C@H](C)CCN2)C[N@H+]1Cc1ccccc1 ZINC000423898982 477206910 /nfs/dbraw/zinc/20/69/10/477206910.db2.gz ISIDZOPQQLFRFO-BWPNAZKDSA-N 1 3 343.515 2.791 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@H](N)c3ccccc3)CC[C@H]21 ZINC000423899131 477207127 /nfs/dbraw/zinc/20/71/27/477207127.db2.gz IYAQIMCPCJHUKE-KZNAEPCWSA-N 1 3 329.488 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@H](N)c3ccccc3)CC[C@H]21 ZINC000423899131 477207135 /nfs/dbraw/zinc/20/71/35/477207135.db2.gz IYAQIMCPCJHUKE-KZNAEPCWSA-N 1 3 329.488 2.655 20 0 EFADHO N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903627 477208121 /nfs/dbraw/zinc/20/81/21/477208121.db2.gz NGJQNCBHYGOJFC-AQNXPRMDSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903627 477208128 /nfs/dbraw/zinc/20/81/28/477208128.db2.gz NGJQNCBHYGOJFC-AQNXPRMDSA-N 1 3 341.499 2.627 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909579 477212313 /nfs/dbraw/zinc/21/23/13/477212313.db2.gz UDOLFOHGWJAIPN-SLFFLAALSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909579 477212315 /nfs/dbraw/zinc/21/23/15/477212315.db2.gz UDOLFOHGWJAIPN-SLFFLAALSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423908545 477212368 /nfs/dbraw/zinc/21/23/68/477212368.db2.gz SKLRWEUJNDBWJK-ZSXHRAQDSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423908545 477212370 /nfs/dbraw/zinc/21/23/70/477212370.db2.gz SKLRWEUJNDBWJK-ZSXHRAQDSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910075 477212914 /nfs/dbraw/zinc/21/29/14/477212914.db2.gz UOLHKQNZGOOEAC-NZSAHSFTSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910075 477212922 /nfs/dbraw/zinc/21/29/22/477212922.db2.gz UOLHKQNZGOOEAC-NZSAHSFTSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423910134 477214342 /nfs/dbraw/zinc/21/43/42/477214342.db2.gz UUCMJDVANCOPRO-RNQOJCNYSA-N 1 3 343.515 2.873 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423910134 477214348 /nfs/dbraw/zinc/21/43/48/477214348.db2.gz UUCMJDVANCOPRO-RNQOJCNYSA-N 1 3 343.515 2.873 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC2(C)C)[C@@H](C)C1 ZINC000453398228 477221664 /nfs/dbraw/zinc/22/16/64/477221664.db2.gz MPIJKQIUDXXQAR-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CC(CCN1CCOC[C@H]1C1CC1)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000411419177 477227642 /nfs/dbraw/zinc/22/76/42/477227642.db2.gz IDLKWJVCQCXDFP-PMACEKPBSA-N 1 3 336.520 2.624 20 0 EFADHO CC(CCN1CCOC[C@H]1C1CC1)CC[N@H+]1CCOC[C@H]1C1CC1 ZINC000411419177 477227647 /nfs/dbraw/zinc/22/76/47/477227647.db2.gz IDLKWJVCQCXDFP-PMACEKPBSA-N 1 3 336.520 2.624 20 0 EFADHO CC(CCN1CCOC2(CCC2)C1)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000411417323 477227728 /nfs/dbraw/zinc/22/77/28/477227728.db2.gz DQSKCKRGKNMWQC-UHFFFAOYSA-N 1 3 336.520 2.913 20 0 EFADHO CC(CCN1CCOC2(CCC2)C1)CC[N@H+]1CCOC2(CCC2)C1 ZINC000411417323 477227732 /nfs/dbraw/zinc/22/77/32/477227732.db2.gz DQSKCKRGKNMWQC-UHFFFAOYSA-N 1 3 336.520 2.913 20 0 EFADHO O=C1CCCN1[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411422310 477229450 /nfs/dbraw/zinc/22/94/50/477229450.db2.gz LGVHCPVTIXBEFA-HXUWFJFHSA-N 1 3 341.499 2.869 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2cccs2)C2CC2)CC1 ZINC000411456272 477241921 /nfs/dbraw/zinc/24/19/21/477241921.db2.gz JSIUCGJWAZDBIC-GOSISDBHSA-N 1 3 335.517 2.778 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2cccs2)C2CC2)CC1 ZINC000411456275 477242194 /nfs/dbraw/zinc/24/21/94/477242194.db2.gz JSIUCGJWAZDBIC-SFHVURJKSA-N 1 3 335.517 2.778 20 0 EFADHO C[N@H+](CCCCNCc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000453600258 477246910 /nfs/dbraw/zinc/24/69/10/477246910.db2.gz SEFHNTBUINZAOS-UHFFFAOYSA-N 1 3 342.386 2.981 20 0 EFADHO C[N@@H+](CCCCNCc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000453600258 477246916 /nfs/dbraw/zinc/24/69/16/477246916.db2.gz SEFHNTBUINZAOS-UHFFFAOYSA-N 1 3 342.386 2.981 20 0 EFADHO C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423996982 477253722 /nfs/dbraw/zinc/25/37/22/477253722.db2.gz KUIAARGUGFZIKJ-PKOBYXMFSA-N 1 3 343.515 2.732 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000424011034 477259382 /nfs/dbraw/zinc/25/93/82/477259382.db2.gz YKVJPLPOSCXEHE-QAPCUYQASA-N 1 3 329.488 2.728 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@@H](N)c1ccccc1 ZINC000424045423 477271577 /nfs/dbraw/zinc/27/15/77/477271577.db2.gz UDQZVHXRJGVUTP-ROUUACIJSA-N 1 3 343.515 2.949 20 0 EFADHO CCS[C@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411561018 477276371 /nfs/dbraw/zinc/27/63/71/477276371.db2.gz QGKKKAWWLCZXLF-SJORKVTESA-N 1 3 341.565 2.629 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458007888 477278244 /nfs/dbraw/zinc/27/82/44/477278244.db2.gz LUSVKXQDLSDGLX-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO COCCO[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411600316 477289452 /nfs/dbraw/zinc/28/94/52/477289452.db2.gz DSEMVSCVYIXYOT-FQEVSTJZSA-N 1 3 332.488 2.910 20 0 EFADHO OCC[N@H+](Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000411602633 477290649 /nfs/dbraw/zinc/29/06/49/477290649.db2.gz KJXSVUIQVCBNJE-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO OCC[N@@H+](Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000411602633 477290654 /nfs/dbraw/zinc/29/06/54/477290654.db2.gz KJXSVUIQVCBNJE-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000411610075 477293065 /nfs/dbraw/zinc/29/30/65/477293065.db2.gz MQKZRMAIWFPSRG-OALUTQOASA-N 1 3 329.488 2.513 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000411610077 477293136 /nfs/dbraw/zinc/29/31/36/477293136.db2.gz MQKZRMAIWFPSRG-RBUKOAKNSA-N 1 3 329.488 2.513 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000371402929 477294530 /nfs/dbraw/zinc/29/45/30/477294530.db2.gz FRRDVPCATNUFID-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1C[N@H+](CCc2ccccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000367028710 477304028 /nfs/dbraw/zinc/30/40/28/477304028.db2.gz KAOWOXFPKQPTKY-QFBILLFUSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@H]1C[N@@H+](CCc2ccccc2Cl)CC[C@H]1N1CCN(C)CC1 ZINC000367028710 477304035 /nfs/dbraw/zinc/30/40/35/477304035.db2.gz KAOWOXFPKQPTKY-QFBILLFUSA-N 1 3 335.923 2.840 20 0 EFADHO Cc1ccc(C)c(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027006 477304440 /nfs/dbraw/zinc/30/44/40/477304440.db2.gz DTSCJFNOOPKTGN-UXHICEINSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027006 477304446 /nfs/dbraw/zinc/30/44/46/477304446.db2.gz DTSCJFNOOPKTGN-UXHICEINSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027006 477304451 /nfs/dbraw/zinc/30/44/51/477304451.db2.gz DTSCJFNOOPKTGN-UXHICEINSA-N 1 3 345.531 2.640 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000416780052 477307443 /nfs/dbraw/zinc/30/74/43/477307443.db2.gz CBMXGLGVXXJGBR-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416788209 477310609 /nfs/dbraw/zinc/31/06/09/477310609.db2.gz PYOUNNDYXJZPRS-MOPGFXCFSA-N 1 3 344.503 2.655 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416792849 477312087 /nfs/dbraw/zinc/31/20/87/477312087.db2.gz MIGQJFIMIKQRJL-LJQANCHMSA-N 1 3 346.519 2.666 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367057841 477320681 /nfs/dbraw/zinc/32/06/81/477320681.db2.gz NOTRBOAXNNCVQQ-ICSRJNTNSA-N 1 3 330.520 2.725 20 0 EFADHO C[C@@H](CN1CCOCC1)N(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411680285 477324114 /nfs/dbraw/zinc/32/41/14/477324114.db2.gz DAHSZCRQDMIYRM-IBGZPJMESA-N 1 3 345.531 2.825 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000433554713 477325226 /nfs/dbraw/zinc/32/52/26/477325226.db2.gz QJYMMBMKQZVRIN-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000433554713 477325232 /nfs/dbraw/zinc/32/52/32/477325232.db2.gz QJYMMBMKQZVRIN-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000416831316 477327564 /nfs/dbraw/zinc/32/75/64/477327564.db2.gz AWNVGCGETOJLED-HKUYNNGSSA-N 1 3 346.519 2.840 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416834925 477330004 /nfs/dbraw/zinc/33/00/04/477330004.db2.gz DYDCQNMJMXEBQT-IEBWSBKVSA-N 1 3 346.519 2.758 20 0 EFADHO CN1CCO[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]21 ZINC000411690701 477330030 /nfs/dbraw/zinc/33/00/30/477330030.db2.gz BJWFZLRNVPHNOL-RTWAWAEBSA-N 1 3 343.515 2.577 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000416838434 477331083 /nfs/dbraw/zinc/33/10/83/477331083.db2.gz JFNQFQOYTYVSKF-MJGOQNOKSA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000416839447 477331488 /nfs/dbraw/zinc/33/14/88/477331488.db2.gz KABBIGJRJBYCME-ICSRJNTNSA-N 1 3 346.519 2.541 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434356920 477333661 /nfs/dbraw/zinc/33/36/61/477333661.db2.gz ZVAZSQIXMLKLOS-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434356920 477333668 /nfs/dbraw/zinc/33/36/68/477333668.db2.gz ZVAZSQIXMLKLOS-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000416844015 477333863 /nfs/dbraw/zinc/33/38/63/477333863.db2.gz PJDKBDPCDGXKDY-NEWSRXKRSA-N 1 3 346.519 2.668 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416843639 477333888 /nfs/dbraw/zinc/33/38/88/477333888.db2.gz PBNGFANTXSCRPM-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)[C@H]1CC[NH2+]C1 ZINC000416843640 477334170 /nfs/dbraw/zinc/33/41/70/477334170.db2.gz PBNGFANTXSCRPM-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH2+]C)C1)c1ccccc1 ZINC000416846135 477334696 /nfs/dbraw/zinc/33/46/96/477334696.db2.gz TUCKBPQWPDLXFM-MJGOQNOKSA-N 1 3 346.519 2.711 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416847298 477335065 /nfs/dbraw/zinc/33/50/65/477335065.db2.gz VGRSANLUJXAHCR-LSDHHAIUSA-N 1 3 338.521 2.702 20 0 EFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000416882965 477351930 /nfs/dbraw/zinc/35/19/30/477351930.db2.gz ATTLKEZMYPMHCV-SJORKVTESA-N 1 3 344.503 2.564 20 0 EFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289053 477356778 /nfs/dbraw/zinc/35/67/78/477356778.db2.gz LIKTWFQLXLBYNK-ROUUACIJSA-N 1 3 343.515 2.506 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424286128 477357667 /nfs/dbraw/zinc/35/76/67/477357667.db2.gz HAEHOMVGRBOFGH-ROUUACIJSA-N 1 3 343.515 2.945 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)N1c3ccccc3CC[C@@H]1C)CC[NH2+]CC2 ZINC000424302513 477363511 /nfs/dbraw/zinc/36/35/11/477363511.db2.gz ZRRCXUJYRWPVLY-IRXDYDNUSA-N 1 3 341.499 2.818 20 0 EFADHO [NH3+]C[C@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303884 477364031 /nfs/dbraw/zinc/36/40/31/477364031.db2.gz PNKPYWROMWCYTF-NVXWUHKLSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303884 477364035 /nfs/dbraw/zinc/36/40/35/477364035.db2.gz PNKPYWROMWCYTF-NVXWUHKLSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303884 477364037 /nfs/dbraw/zinc/36/40/37/477364037.db2.gz PNKPYWROMWCYTF-NVXWUHKLSA-N 1 3 328.435 2.697 20 0 EFADHO COC[C@]1(CO)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411801145 477374810 /nfs/dbraw/zinc/37/48/10/477374810.db2.gz MTMSWRXOXMUIJG-HXUWFJFHSA-N 1 3 332.488 2.503 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000458377552 477379467 /nfs/dbraw/zinc/37/94/67/477379467.db2.gz LQLAUXWLTPHPEX-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CC(CCN[C@H](C)c1ccn(C)n1)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000411820393 477380728 /nfs/dbraw/zinc/38/07/28/477380728.db2.gz MQXKTLRRVHBKPC-HZPDHXFCSA-N 1 3 332.496 2.571 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000435903242 477390663 /nfs/dbraw/zinc/39/06/63/477390663.db2.gz QBLMSFXZBHFMTB-QWFCFKBJSA-N 1 3 329.488 2.575 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCc1ccc2ccccc2c1 ZINC000436064498 477413541 /nfs/dbraw/zinc/41/35/41/477413541.db2.gz ZPLZYFBUQTYGMC-HXUWFJFHSA-N 1 3 339.483 2.702 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccsc1 ZINC000417003304 477417375 /nfs/dbraw/zinc/41/73/75/477417375.db2.gz HAXOQGVMFNSIOP-HOTGVXAUSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccsc1 ZINC000417004056 477418729 /nfs/dbraw/zinc/41/87/29/477418729.db2.gz HQBGSXGOGDPQAE-UYSNPLJNSA-N 1 3 338.521 2.700 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccsc1 ZINC000417007125 477419810 /nfs/dbraw/zinc/41/98/10/477419810.db2.gz KQSUWCJYIJPVGB-NVXWUHKLSA-N 1 3 338.521 2.511 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccsc1 ZINC000417013161 477422744 /nfs/dbraw/zinc/42/27/44/477422744.db2.gz YETDLOIJPMDBFN-HNNXBMFYSA-N 1 3 340.537 2.757 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449078706 477426440 /nfs/dbraw/zinc/42/64/40/477426440.db2.gz MQIJUYCUDXENRK-KRWDZBQOSA-N 1 3 341.499 2.964 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CSC[C@H]3C)cc2)CC1 ZINC000449080917 477426744 /nfs/dbraw/zinc/42/67/44/477426744.db2.gz AGSSVAXVEQXOGW-VQIMIIECSA-N 1 3 333.545 2.665 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCC[C@@H](C)C1 ZINC000417025180 477429506 /nfs/dbraw/zinc/42/95/06/477429506.db2.gz XUDJVWVZHSCEIL-ZIFCJYIRSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H]1CSC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449087697 477431725 /nfs/dbraw/zinc/43/17/25/477431725.db2.gz GNMCLNXDYPOAMV-AZUAARDMSA-N 1 3 347.572 2.926 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000449088523 477432514 /nfs/dbraw/zinc/43/25/14/477432514.db2.gz HVQWLAFZASKHPK-SBHAEUEKSA-N 1 3 345.531 2.740 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092345 477435095 /nfs/dbraw/zinc/43/50/95/477435095.db2.gz LNCRHLVLPPIMLY-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092345 477435100 /nfs/dbraw/zinc/43/51/00/477435100.db2.gz LNCRHLVLPPIMLY-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092345 477435110 /nfs/dbraw/zinc/43/51/10/477435110.db2.gz LNCRHLVLPPIMLY-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000367293772 477435469 /nfs/dbraw/zinc/43/54/69/477435469.db2.gz FBQWDPLRHRBZJI-GBESFXJTSA-N 1 3 347.503 2.707 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417043656 477438507 /nfs/dbraw/zinc/43/85/07/477438507.db2.gz XJEFBEAGIDWJEP-RBUKOAKNSA-N 1 3 346.519 2.838 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CC2)C[C@H](C)C1)C(C)C ZINC000458488473 477446971 /nfs/dbraw/zinc/44/69/71/477446971.db2.gz FSWWVKVRXMFMNJ-KRWDZBQOSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN(C2CC2)C1 ZINC000458492077 477448487 /nfs/dbraw/zinc/44/84/87/477448487.db2.gz FPJFHVWWTZEQHQ-INIZCTEOSA-N 1 3 348.535 2.519 20 0 EFADHO CCCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417223806 477448610 /nfs/dbraw/zinc/44/86/10/477448610.db2.gz SZYSOOUADKXGJW-QRQLOZEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNCC[N@H+](C)C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125038 477450603 /nfs/dbraw/zinc/45/06/03/477450603.db2.gz IAAXCNNGFCCKOU-OAHLLOKOSA-N 1 3 338.517 2.658 20 0 EFADHO C[C@H](CNCC[N@@H+](C)C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125038 477450608 /nfs/dbraw/zinc/45/06/08/477450608.db2.gz IAAXCNNGFCCKOU-OAHLLOKOSA-N 1 3 338.517 2.658 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000418367928 477471799 /nfs/dbraw/zinc/47/17/99/477471799.db2.gz ZZSUZGDURFRSPC-VQIMIIECSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000418367928 477471808 /nfs/dbraw/zinc/47/18/08/477471808.db2.gz ZZSUZGDURFRSPC-VQIMIIECSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000418364860 477472395 /nfs/dbraw/zinc/47/23/95/477472395.db2.gz WXHVYYNZLFMYJC-MAUKXSAKSA-N 1 3 332.492 2.580 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000418358473 477472613 /nfs/dbraw/zinc/47/26/13/477472613.db2.gz RMHXQXHQDPKDJF-RBUKOAKNSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000418358473 477472619 /nfs/dbraw/zinc/47/26/19/477472619.db2.gz RMHXQXHQDPKDJF-RBUKOAKNSA-N 1 3 346.519 2.934 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418603073 477480256 /nfs/dbraw/zinc/48/02/56/477480256.db2.gz OLFVXDPMAVKZDW-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418664538 477481822 /nfs/dbraw/zinc/48/18/22/477481822.db2.gz CZDURBGXSXHGPE-LPHOPBHVSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)Cc1ccccc1 ZINC000436469615 477485991 /nfs/dbraw/zinc/48/59/91/477485991.db2.gz CUDXZXNHGSZWND-OXQOHEQNSA-N 1 3 325.456 2.632 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)c1cccc(CN2CCCCC2)c1 ZINC000413057925 477491488 /nfs/dbraw/zinc/49/14/88/477491488.db2.gz HCQWLCKVNJCMCP-UHFFFAOYSA-N 1 3 329.488 2.888 20 0 EFADHO CC(C)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c([O-])c1 ZINC000436546566 477510249 /nfs/dbraw/zinc/51/02/49/477510249.db2.gz HAWGOGYTKRJBBE-UHFFFAOYSA-N 1 3 349.519 2.861 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458615934 477510415 /nfs/dbraw/zinc/51/04/15/477510415.db2.gz JBBHWVWBVZKASA-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458615934 477510423 /nfs/dbraw/zinc/51/04/23/477510423.db2.gz JBBHWVWBVZKASA-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458621572 477512471 /nfs/dbraw/zinc/51/24/71/477512471.db2.gz OWDMEAGOCMHZMM-QGZVFWFLSA-N 1 3 348.535 2.927 20 0 EFADHO COC(=O)N1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000367553343 477570870 /nfs/dbraw/zinc/57/08/70/477570870.db2.gz PLOZVXARNDAOCG-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449991931 477577590 /nfs/dbraw/zinc/57/75/90/477577590.db2.gz WKLLCPYSCMYAPQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449991931 477577595 /nfs/dbraw/zinc/57/75/95/477577595.db2.gz WKLLCPYSCMYAPQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCCN1C1CCCC1)CC2 ZINC000450381846 477590526 /nfs/dbraw/zinc/59/05/26/477590526.db2.gz VWCJBDJXIKNKGQ-GOSISDBHSA-N 1 3 333.520 2.870 20 0 EFADHO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCCCN1C1CCCC1)CC2 ZINC000450381846 477590530 /nfs/dbraw/zinc/59/05/30/477590530.db2.gz VWCJBDJXIKNKGQ-GOSISDBHSA-N 1 3 333.520 2.870 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001970 477592173 /nfs/dbraw/zinc/59/21/73/477592173.db2.gz DSVBPYLNMFNDNN-YTQUADARSA-N 1 3 343.515 2.886 20 0 EFADHO COc1cc2nccc(NCC3CC[NH+](C4CC4)CC3)c2cc1OC ZINC000413257542 477593958 /nfs/dbraw/zinc/59/39/58/477593958.db2.gz CPGDRRVWERJNNO-UHFFFAOYSA-N 1 3 341.455 2.960 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425060391 477623521 /nfs/dbraw/zinc/62/35/21/477623521.db2.gz VIESRGNALHJYAL-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450637874 477664006 /nfs/dbraw/zinc/66/40/06/477664006.db2.gz BFLPIHZKWSZHQP-VQIMIIECSA-N 1 3 335.923 2.840 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420296785 477670690 /nfs/dbraw/zinc/67/06/90/477670690.db2.gz DWFKAKJWFAMXFZ-OAHLLOKOSA-N 1 3 339.886 2.986 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000420301325 477673269 /nfs/dbraw/zinc/67/32/69/477673269.db2.gz APUGUGNJSSQWGB-MRXNPFEDSA-N 1 3 333.476 2.878 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+](CC)[C@@H]1CCCNCC1 ZINC000420301325 477673274 /nfs/dbraw/zinc/67/32/74/477673274.db2.gz APUGUGNJSSQWGB-MRXNPFEDSA-N 1 3 333.476 2.878 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000420301325 477673280 /nfs/dbraw/zinc/67/32/80/477673280.db2.gz APUGUGNJSSQWGB-MRXNPFEDSA-N 1 3 333.476 2.878 20 0 EFADHO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420301659 477674571 /nfs/dbraw/zinc/67/45/71/477674571.db2.gz ISLFWBIZJKFKGZ-ACRUOGEOSA-N 1 3 340.467 2.763 20 0 EFADHO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420301659 477674575 /nfs/dbraw/zinc/67/45/75/477674575.db2.gz ISLFWBIZJKFKGZ-ACRUOGEOSA-N 1 3 340.467 2.763 20 0 EFADHO Cc1csc2nc(C)nc(N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c12 ZINC000372178122 477678588 /nfs/dbraw/zinc/67/85/88/477678588.db2.gz HOZQHHMACBNHKF-AWEZNQCLSA-N 1 3 345.516 2.889 20 0 EFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420308469 477679242 /nfs/dbraw/zinc/67/92/42/477679242.db2.gz SHDKIYYRLWLXEO-YOEHRIQHSA-N 1 3 335.879 2.767 20 0 EFADHO Cc1ccc2oc(N3CCN(CC[C@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420310379 477681996 /nfs/dbraw/zinc/68/19/96/477681996.db2.gz FYTKPFFWNRVIIJ-MRXNPFEDSA-N 1 3 328.460 2.648 20 0 EFADHO c1ccc2sc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420309890 477682751 /nfs/dbraw/zinc/68/27/51/477682751.db2.gz UHKKVHSBOZTNNY-HNNXBMFYSA-N 1 3 330.501 2.808 20 0 EFADHO COc1cccc(OCCN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000420316730 477686054 /nfs/dbraw/zinc/68/60/54/477686054.db2.gz NOANXWHFUMKWCC-XLIONFOSSA-N 1 3 326.440 2.748 20 0 EFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420317972 477688750 /nfs/dbraw/zinc/68/87/50/477688750.db2.gz NNARWABFOUMODK-DNVCBOLYSA-N 1 3 330.451 2.970 20 0 EFADHO COc1cccc([C@H](C)N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420321686 477689706 /nfs/dbraw/zinc/68/97/06/477689706.db2.gz RLWQITAZAIYAIH-ROUUACIJSA-N 1 3 331.504 2.764 20 0 EFADHO CCCOc1ccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420322414 477691682 /nfs/dbraw/zinc/69/16/82/477691682.db2.gz FBOVEHJBFSWVBN-UXHICEINSA-N 1 3 348.487 2.682 20 0 EFADHO CCCN(CCC(=O)Nc1ccccc1OCC)C1CC[NH2+]CC1 ZINC000420326121 477693455 /nfs/dbraw/zinc/69/34/55/477693455.db2.gz XBQGXNXRTWWKCY-UHFFFAOYSA-N 1 3 333.476 2.878 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCCC1CCCCC1 ZINC000420325089 477693775 /nfs/dbraw/zinc/69/37/75/477693775.db2.gz HZHUDZHUTNDEHR-OALUTQOASA-N 1 3 335.536 2.785 20 0 EFADHO COc1ccc([C@@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420327312 477697039 /nfs/dbraw/zinc/69/70/39/477697039.db2.gz YGASIQIRLHRNAN-XPGWFJOJSA-N 1 3 328.456 2.619 20 0 EFADHO COc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420327312 477697044 /nfs/dbraw/zinc/69/70/44/477697044.db2.gz YGASIQIRLHRNAN-XPGWFJOJSA-N 1 3 328.456 2.619 20 0 EFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420327996 477697264 /nfs/dbraw/zinc/69/72/64/477697264.db2.gz MBUUMMFUOIPUFD-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO C[N@H+](CCCCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420328548 477698141 /nfs/dbraw/zinc/69/81/41/477698141.db2.gz ZXMXYNSPMFHQFX-SFTDATJTSA-N 1 3 326.484 2.872 20 0 EFADHO C[N@@H+](CCCCc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420328548 477698148 /nfs/dbraw/zinc/69/81/48/477698148.db2.gz ZXMXYNSPMFHQFX-SFTDATJTSA-N 1 3 326.484 2.872 20 0 EFADHO CN(CCCCc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420328548 477698154 /nfs/dbraw/zinc/69/81/54/477698154.db2.gz ZXMXYNSPMFHQFX-SFTDATJTSA-N 1 3 326.484 2.872 20 0 EFADHO Cc1ccc(OCCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000420330471 477700860 /nfs/dbraw/zinc/70/08/60/477700860.db2.gz PSRUTJQISJUVSE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(OCCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1C ZINC000420330471 477700867 /nfs/dbraw/zinc/70/08/67/477700867.db2.gz PSRUTJQISJUVSE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(OCCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)cc1C ZINC000420330471 477700875 /nfs/dbraw/zinc/70/08/75/477700875.db2.gz PSRUTJQISJUVSE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO [NH3+]C[C@H]1CN(CCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420331600 477702563 /nfs/dbraw/zinc/70/25/63/477702563.db2.gz RASANTHTUQYXJK-IBGZPJMESA-N 1 3 340.467 2.906 20 0 EFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339007 477707762 /nfs/dbraw/zinc/70/77/62/477707762.db2.gz LJYSYHQAJNJOIU-CGTJXYLNSA-N 1 3 329.488 2.898 20 0 EFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339010 477707832 /nfs/dbraw/zinc/70/78/32/477707832.db2.gz LJYSYHQAJNJOIU-SZMVWBNQSA-N 1 3 329.488 2.898 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420344503 477710892 /nfs/dbraw/zinc/71/08/92/477710892.db2.gz TZFJBDPTCYWBCU-LAQRGFTBSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000459038874 477711660 /nfs/dbraw/zinc/71/16/60/477711660.db2.gz IUGNQYZFDPSNIY-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)N(C)C ZINC000459038874 477711665 /nfs/dbraw/zinc/71/16/65/477711665.db2.gz IUGNQYZFDPSNIY-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340683 477711913 /nfs/dbraw/zinc/71/19/13/477711913.db2.gz NFKVMDSBIBWBOW-XHSDSOJGSA-N 1 3 333.451 2.783 20 0 EFADHO CC(C)(C)c1ccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347499 477715773 /nfs/dbraw/zinc/71/57/73/477715773.db2.gz GZPKISHXLWCWSP-LJQANCHMSA-N 1 3 345.531 2.733 20 0 EFADHO [NH3+]C[C@@H](NCCC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000420363312 477720784 /nfs/dbraw/zinc/72/07/84/477720784.db2.gz JJRTWCWHHPEKIC-MRXNPFEDSA-N 1 3 325.403 2.791 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000420369306 477728010 /nfs/dbraw/zinc/72/80/10/477728010.db2.gz UXXSOIPNHUPWHL-AWEZNQCLSA-N 1 3 332.366 2.942 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000420371365 477729231 /nfs/dbraw/zinc/72/92/31/477729231.db2.gz DGFXKOOXJSKSKV-ZWKOTPCHSA-N 1 3 338.879 2.937 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373697 477731081 /nfs/dbraw/zinc/73/10/81/477731081.db2.gz MXBMFTDDCJXYGF-WMZOPIPTSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373697 477731087 /nfs/dbraw/zinc/73/10/87/477731087.db2.gz MXBMFTDDCJXYGF-WMZOPIPTSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373697 477731092 /nfs/dbraw/zinc/73/10/92/477731092.db2.gz MXBMFTDDCJXYGF-WMZOPIPTSA-N 1 3 328.460 2.915 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420380017 477735193 /nfs/dbraw/zinc/73/51/93/477735193.db2.gz BKGYXOAJGMEGEP-XLIONFOSSA-N 1 3 348.487 2.682 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420380065 477735220 /nfs/dbraw/zinc/73/52/20/477735220.db2.gz BQLNGURIKUALCP-UYAOXDASSA-N 1 3 332.488 2.901 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420380063 477735300 /nfs/dbraw/zinc/73/53/00/477735300.db2.gz BQLNGURIKUALCP-ICSRJNTNSA-N 1 3 332.488 2.901 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000420379561 477735563 /nfs/dbraw/zinc/73/55/63/477735563.db2.gz BCQSCUKHMJNLIX-WMZOPIPTSA-N 1 3 338.879 2.937 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420390239 477742085 /nfs/dbraw/zinc/74/20/85/477742085.db2.gz ZCPBGNMDLKRRAE-ICSRJNTNSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420392489 477744662 /nfs/dbraw/zinc/74/46/62/477744662.db2.gz BPUVBNPGSQAERK-OCCSQVGLSA-N 1 3 334.851 2.849 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420401238 477748918 /nfs/dbraw/zinc/74/89/18/477748918.db2.gz IXHIGTHXBQCCID-STQMWFEESA-N 1 3 339.867 2.594 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800534 477756144 /nfs/dbraw/zinc/75/61/44/477756144.db2.gz MYSMOSTVSUGAHB-QAPCUYQASA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800534 477756150 /nfs/dbraw/zinc/75/61/50/477756150.db2.gz MYSMOSTVSUGAHB-QAPCUYQASA-N 1 3 336.524 2.565 20 0 EFADHO Cc1cccc(C)c1OC[C@H](NCCOCC[NH3+])c1ccccc1 ZINC000420420660 477756673 /nfs/dbraw/zinc/75/66/73/477756673.db2.gz YCQSFANEFYOTNY-IBGZPJMESA-N 1 3 328.456 2.988 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)[C@H]2C1 ZINC000455837649 477763477 /nfs/dbraw/zinc/76/34/77/477763477.db2.gz BQLDQZUVZFGENQ-CCKFTAQKSA-N 1 3 342.487 2.793 20 0 EFADHO CN(C(=O)C[C@H]1CCC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000427265879 477770699 /nfs/dbraw/zinc/77/06/99/477770699.db2.gz PSGSWXVHCZUCFX-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427265949 477773238 /nfs/dbraw/zinc/77/32/38/477773238.db2.gz GBRJKTAGKHUWGA-YLJYHZDGSA-N 1 3 343.515 2.719 20 0 EFADHO C[N@H+](CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000459162556 477774981 /nfs/dbraw/zinc/77/49/81/477774981.db2.gz PXUHXIFGGOFRMD-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCCCNC(=O)N1CCC[C@@H]1CN1CCCCC1)C1CC1 ZINC000459162556 477774984 /nfs/dbraw/zinc/77/49/84/477774984.db2.gz PXUHXIFGGOFRMD-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@H+](CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000459162557 477775304 /nfs/dbraw/zinc/77/53/04/477775304.db2.gz PXUHXIFGGOFRMD-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCCCNC(=O)N1CCC[C@H]1CN1CCCCC1)C1CC1 ZINC000459162557 477775310 /nfs/dbraw/zinc/77/53/10/477775310.db2.gz PXUHXIFGGOFRMD-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCN1C ZINC000455914237 477783714 /nfs/dbraw/zinc/78/37/14/477783714.db2.gz JXJXYNVATJPWGB-QBIMZIAESA-N 1 3 330.476 2.840 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000455925400 477785547 /nfs/dbraw/zinc/78/55/47/477785547.db2.gz NBBRVBPSGRZAJO-AEFFLSMTSA-N 1 3 328.460 2.547 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368140384 477787664 /nfs/dbraw/zinc/78/76/64/477787664.db2.gz KUESPFKSNFWZBC-QGZVFWFLSA-N 1 3 329.488 2.552 20 0 EFADHO CCCN(CCN1CCN(CC)CC1)Cc1cccc(C(C)=O)c1 ZINC000451036462 477797626 /nfs/dbraw/zinc/79/76/26/477797626.db2.gz KZVYMFRJOKXYAG-UHFFFAOYSA-N 1 3 331.504 2.739 20 0 EFADHO CCCN(CCN1CC[NH+](CC)CC1)Cc1cccc(C(C)=O)c1 ZINC000451036462 477797631 /nfs/dbraw/zinc/79/76/31/477797631.db2.gz KZVYMFRJOKXYAG-UHFFFAOYSA-N 1 3 331.504 2.739 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348874 477800241 /nfs/dbraw/zinc/80/02/41/477800241.db2.gz OMXCQGBKYCAXMM-BRWVUGGUSA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348874 477800243 /nfs/dbraw/zinc/80/02/43/477800243.db2.gz OMXCQGBKYCAXMM-BRWVUGGUSA-N 1 3 337.508 2.802 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000438219021 477810334 /nfs/dbraw/zinc/81/03/34/477810334.db2.gz YUPSARFBPCBLPS-IBGZPJMESA-N 1 3 332.488 2.923 20 0 EFADHO C[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@H](N)c1ccccc1 ZINC000515402718 477819275 /nfs/dbraw/zinc/81/92/75/477819275.db2.gz RNJUAYGZZIGFOL-WBMJQRKESA-N 1 3 344.484 2.885 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000438303486 477821498 /nfs/dbraw/zinc/82/14/98/477821498.db2.gz SHIBOYQJBJJQLK-HZPDHXFCSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000438303486 477821506 /nfs/dbraw/zinc/82/15/06/477821506.db2.gz SHIBOYQJBJJQLK-HZPDHXFCSA-N 1 3 348.491 2.540 20 0 EFADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438320931 477822804 /nfs/dbraw/zinc/82/28/04/477822804.db2.gz KWYJTYQVLCIFRB-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438320931 477822810 /nfs/dbraw/zinc/82/28/10/477822810.db2.gz KWYJTYQVLCIFRB-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CC[N@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000438483370 477848468 /nfs/dbraw/zinc/84/84/68/477848468.db2.gz MWGYOUJDMDONFT-LJQANCHMSA-N 1 3 343.515 2.761 20 0 EFADHO CC[C@@H]1CC[N@@H+](CC(=O)N2CCCN(Cc3ccccc3C)CC2)C1 ZINC000438483370 477848474 /nfs/dbraw/zinc/84/84/74/477848474.db2.gz MWGYOUJDMDONFT-LJQANCHMSA-N 1 3 343.515 2.761 20 0 EFADHO CCCC[C@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000460150712 477853553 /nfs/dbraw/zinc/85/35/53/477853553.db2.gz MMFXJGSAIYYQQU-INIZCTEOSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)N1CCCCCC1 ZINC000438537432 477860698 /nfs/dbraw/zinc/86/06/98/477860698.db2.gz RSOLVUJNSSQGEZ-INIZCTEOSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966207 477864165 /nfs/dbraw/zinc/86/41/65/477864165.db2.gz QOHNJMXYQMXLCE-WIYYLYMNSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966207 477864171 /nfs/dbraw/zinc/86/41/71/477864171.db2.gz QOHNJMXYQMXLCE-WIYYLYMNSA-N 1 3 343.515 2.577 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000515804602 477865220 /nfs/dbraw/zinc/86/52/20/477865220.db2.gz GUHGBNVSPCFYKH-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000515804602 477865227 /nfs/dbraw/zinc/86/52/27/477865227.db2.gz GUHGBNVSPCFYKH-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578078 477867769 /nfs/dbraw/zinc/86/77/69/477867769.db2.gz WNHJOUKHRPLRAX-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578078 477867774 /nfs/dbraw/zinc/86/77/74/477867774.db2.gz WNHJOUKHRPLRAX-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000460892559 477869043 /nfs/dbraw/zinc/86/90/43/477869043.db2.gz HQCDKBCHHCBVBC-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000461008581 477872888 /nfs/dbraw/zinc/87/28/88/477872888.db2.gz SDYRCMMHLYTCKI-OWCLPIDISA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000461008581 477872899 /nfs/dbraw/zinc/87/28/99/477872899.db2.gz SDYRCMMHLYTCKI-OWCLPIDISA-N 1 3 338.496 2.737 20 0 EFADHO C[C@@H](C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@H](C)[NH3+] ZINC000493897764 477873255 /nfs/dbraw/zinc/87/32/55/477873255.db2.gz QYHWZGVWAFMIBJ-VKJFTORMSA-N 1 3 331.504 2.559 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc(C)c3)CC2)CC1 ZINC000420984886 477876529 /nfs/dbraw/zinc/87/65/29/477876529.db2.gz VCGZAFTVIXRTIO-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOc3cccc(C)c3)CC2)CC1 ZINC000420984886 477876537 /nfs/dbraw/zinc/87/65/37/477876537.db2.gz VCGZAFTVIXRTIO-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCc3ccc(OC)cc3)CC2)CC1 ZINC000420982554 477877878 /nfs/dbraw/zinc/87/78/78/477877878.db2.gz PIUAHHABFFBZBD-UHFFFAOYSA-N 1 3 345.531 2.730 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCc3ccc(OC)cc3)CC2)CC1 ZINC000420982554 477877881 /nfs/dbraw/zinc/87/78/81/477877881.db2.gz PIUAHHABFFBZBD-UHFFFAOYSA-N 1 3 345.531 2.730 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCc3ccccc3F)CC2)CC1 ZINC000420984837 477877908 /nfs/dbraw/zinc/87/79/08/477877908.db2.gz URVVNAZKILZNEN-UHFFFAOYSA-N 1 3 333.495 2.860 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCc3ccccc3F)CC2)CC1 ZINC000420984837 477877915 /nfs/dbraw/zinc/87/79/15/477877915.db2.gz URVVNAZKILZNEN-UHFFFAOYSA-N 1 3 333.495 2.860 20 0 EFADHO CC[NH+]1CCC(N2CCCN(CCc3ccccc3F)CC2)CC1 ZINC000420984837 477877921 /nfs/dbraw/zinc/87/79/21/477877921.db2.gz URVVNAZKILZNEN-UHFFFAOYSA-N 1 3 333.495 2.860 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@H]2SC)[C@@H](C)C1 ZINC000459406420 477891325 /nfs/dbraw/zinc/89/13/25/477891325.db2.gz DCPOPYIJJIHYDT-JCECYMMASA-N 1 3 344.565 2.622 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@H]2SC)[C@@H](C)C1 ZINC000459406420 477891330 /nfs/dbraw/zinc/89/13/30/477891330.db2.gz DCPOPYIJJIHYDT-JCECYMMASA-N 1 3 344.565 2.622 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000462005129 477891729 /nfs/dbraw/zinc/89/17/29/477891729.db2.gz CQBQILNWSFWPDO-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000462005129 477891739 /nfs/dbraw/zinc/89/17/39/477891739.db2.gz CQBQILNWSFWPDO-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccccc3OC2)C[C@H](C)O1 ZINC000493977574 477894202 /nfs/dbraw/zinc/89/42/02/477894202.db2.gz OQIPXQFJDZBGNX-SCTDSRPQSA-N 1 3 332.488 2.859 20 0 EFADHO C[C@@]1(CN2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000516181772 477903043 /nfs/dbraw/zinc/90/30/43/477903043.db2.gz VRDPOJYYMUGJPD-FXAWDEMLSA-N 1 3 347.478 2.544 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428470885 477906334 /nfs/dbraw/zinc/90/63/34/477906334.db2.gz SWJAKCNZVDTFJV-OAQYLSRUSA-N 1 3 345.531 2.813 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428470885 477906343 /nfs/dbraw/zinc/90/63/43/477906343.db2.gz SWJAKCNZVDTFJV-OAQYLSRUSA-N 1 3 345.531 2.813 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000516263505 477916285 /nfs/dbraw/zinc/91/62/85/477916285.db2.gz WDZZXHUHNAJAOQ-PKOBYXMFSA-N 1 3 344.503 2.519 20 0 EFADHO CC(CN1CCC[C@H](CCO)CC1)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025173 477916432 /nfs/dbraw/zinc/91/64/32/477916432.db2.gz YAGIUYITNQJMDQ-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CC(CN1CCC[C@H](CCO)CC1)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025173 477916437 /nfs/dbraw/zinc/91/64/37/477916437.db2.gz YAGIUYITNQJMDQ-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149420 477933648 /nfs/dbraw/zinc/93/36/48/477933648.db2.gz ZJYXIAOMMLCVTL-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149420 477933653 /nfs/dbraw/zinc/93/36/53/477933653.db2.gz ZJYXIAOMMLCVTL-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421088502 477955011 /nfs/dbraw/zinc/95/50/11/477955011.db2.gz BDCXORTVHWVZMS-UHFFFAOYSA-N 1 3 332.492 2.785 20 0 EFADHO FC(F)COc1cnccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000459536601 477961327 /nfs/dbraw/zinc/96/13/27/477961327.db2.gz SNMRFFKRJOGPJO-UHFFFAOYSA-N 1 3 348.397 2.879 20 0 EFADHO NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459540557 477963303 /nfs/dbraw/zinc/96/33/03/477963303.db2.gz YZGDVMXLIYKAKA-LJQANCHMSA-N 1 3 329.488 2.629 20 0 EFADHO NC(=O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459540557 477963312 /nfs/dbraw/zinc/96/33/12/477963312.db2.gz YZGDVMXLIYKAKA-LJQANCHMSA-N 1 3 329.488 2.629 20 0 EFADHO COCC(C)(C)C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000494322560 477966664 /nfs/dbraw/zinc/96/66/64/477966664.db2.gz JUPQFAHTHABUIO-UHFFFAOYSA-N 1 3 333.520 2.851 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363613 477970651 /nfs/dbraw/zinc/97/06/51/477970651.db2.gz LAVUROBACGSLRC-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363613 477970658 /nfs/dbraw/zinc/97/06/58/477970658.db2.gz LAVUROBACGSLRC-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO C[C@](CO)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459563579 477976993 /nfs/dbraw/zinc/97/69/93/477976993.db2.gz QZHWXMTZIZEBKK-HXUWFJFHSA-N 1 3 325.456 2.590 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000421143708 477977923 /nfs/dbraw/zinc/97/79/23/477977923.db2.gz CLVJOITVSDMMLD-SJLPKXTDSA-N 1 3 330.476 2.793 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C(C)C)C3CCC3)CC2)CC1 ZINC000516783904 477988433 /nfs/dbraw/zinc/98/84/33/477988433.db2.gz NDEPMBAVSOWKLB-UHFFFAOYSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428948426 478012316 /nfs/dbraw/zinc/01/23/16/478012316.db2.gz STAKQAHIZLRUFJ-QAPCUYQASA-N 1 3 329.488 2.789 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc2ccccc2c1)CN1CCCC1 ZINC000516965508 478024331 /nfs/dbraw/zinc/02/43/31/478024331.db2.gz YPTUMKCWRAGGAL-XLIONFOSSA-N 1 3 342.483 2.901 20 0 EFADHO COc1cc(OC)c(C[C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000516964487 478024555 /nfs/dbraw/zinc/02/45/55/478024555.db2.gz FFNFBHPZTQIYFO-SOUVJXGZSA-N 1 3 336.476 2.621 20 0 EFADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCNC2)c(OC)c1 ZINC000516964487 478024559 /nfs/dbraw/zinc/02/45/59/478024559.db2.gz FFNFBHPZTQIYFO-SOUVJXGZSA-N 1 3 336.476 2.621 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494637535 478029453 /nfs/dbraw/zinc/02/94/53/478029453.db2.gz LRFGZHJUGQEOHE-WMZOPIPTSA-N 1 3 329.488 2.860 20 0 EFADHO CC(C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000494652511 478033512 /nfs/dbraw/zinc/03/35/12/478033512.db2.gz ITFKWHSLIJKKCO-UXHICEINSA-N 1 3 343.515 2.718 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CC1=O ZINC000421353385 478048321 /nfs/dbraw/zinc/04/83/21/478048321.db2.gz PKSNMPRSAIOYFS-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000487559361 478048313 /nfs/dbraw/zinc/04/83/13/478048313.db2.gz KZXIIGGKUUSYME-GUWAZMKPSA-N 1 3 337.467 2.841 20 0 EFADHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000487559361 478048322 /nfs/dbraw/zinc/04/83/22/478048322.db2.gz KZXIIGGKUUSYME-GUWAZMKPSA-N 1 3 337.467 2.841 20 0 EFADHO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421354605 478049857 /nfs/dbraw/zinc/04/98/57/478049857.db2.gz WVOOLRQJHAJBIH-CEXWTWQISA-N 1 3 341.499 2.532 20 0 EFADHO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000560344274 478049871 /nfs/dbraw/zinc/04/98/71/478049871.db2.gz UEQJZCTWVWMVDG-HKUYNNGSSA-N 1 3 332.492 2.758 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421354294 478050019 /nfs/dbraw/zinc/05/00/19/478050019.db2.gz VXLNDDYJHJWHNL-MTNOOBJLSA-N 1 3 335.536 2.911 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCN1C ZINC000429087614 478055026 /nfs/dbraw/zinc/05/50/26/478055026.db2.gz KTBXKEIADOPSIH-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440001818 478059228 /nfs/dbraw/zinc/05/92/28/478059228.db2.gz NFUCVCRRFNWVNG-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440001818 478059235 /nfs/dbraw/zinc/05/92/35/478059235.db2.gz NFUCVCRRFNWVNG-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCCC2(O)CCC2)CC1 ZINC000421371704 478059961 /nfs/dbraw/zinc/05/99/61/478059961.db2.gz KIRKTXUSWAPNOB-UHFFFAOYSA-N 1 3 331.504 2.613 20 0 EFADHO CC(C)N1CCc2nc(CNCC[C@@H]3CCC[N@H+](C)C3)sc2C1 ZINC000459724381 478060120 /nfs/dbraw/zinc/06/01/20/478060120.db2.gz ASRSDXYMFYFEPG-HNNXBMFYSA-N 1 3 336.549 2.731 20 0 EFADHO CC(C)N1CCc2nc(CNCC[C@@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459724381 478060128 /nfs/dbraw/zinc/06/01/28/478060128.db2.gz ASRSDXYMFYFEPG-HNNXBMFYSA-N 1 3 336.549 2.731 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421381879 478063304 /nfs/dbraw/zinc/06/33/04/478063304.db2.gz XIHGQLYRMPCGFU-UHFFFAOYSA-N 1 3 343.515 2.614 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421381879 478063308 /nfs/dbraw/zinc/06/33/08/478063308.db2.gz XIHGQLYRMPCGFU-UHFFFAOYSA-N 1 3 343.515 2.614 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421381879 478063321 /nfs/dbraw/zinc/06/33/21/478063321.db2.gz XIHGQLYRMPCGFU-UHFFFAOYSA-N 1 3 343.515 2.614 20 0 EFADHO C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@H]1C[NH3+] ZINC000429131429 478063639 /nfs/dbraw/zinc/06/36/39/478063639.db2.gz BUYLHQMDYNCDNQ-AYBZRNKSSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517223298 478065749 /nfs/dbraw/zinc/06/57/49/478065749.db2.gz FGLPHKFGISMZPZ-RDJZCZTQSA-N 1 3 346.471 2.584 20 0 EFADHO CCOc1c(OC)cc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000517235957 478068979 /nfs/dbraw/zinc/06/89/79/478068979.db2.gz CBIJXPHATUSBOG-UHFFFAOYSA-N 1 3 330.428 2.851 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000440076346 478070133 /nfs/dbraw/zinc/07/01/33/478070133.db2.gz SHXQYXXRWLMOHF-CALCHBBNSA-N 1 3 340.556 2.725 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000440076346 478070140 /nfs/dbraw/zinc/07/01/40/478070140.db2.gz SHXQYXXRWLMOHF-CALCHBBNSA-N 1 3 340.556 2.725 20 0 EFADHO CON1CCC([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421397096 478072298 /nfs/dbraw/zinc/07/22/98/478072298.db2.gz LIIOUBYSTYADSJ-HLAWJBBLSA-N 1 3 343.515 2.903 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000440167123 478084088 /nfs/dbraw/zinc/08/40/88/478084088.db2.gz IALLUQKQWCFKIF-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000440167123 478084093 /nfs/dbraw/zinc/08/40/93/478084093.db2.gz IALLUQKQWCFKIF-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO COc1ccccc1-n1nccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459791715 478094779 /nfs/dbraw/zinc/09/47/79/478094779.db2.gz RPVDEUZKPRMBDK-INIZCTEOSA-N 1 3 328.460 2.702 20 0 EFADHO COc1ccccc1-n1nccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459791715 478094786 /nfs/dbraw/zinc/09/47/86/478094786.db2.gz RPVDEUZKPRMBDK-INIZCTEOSA-N 1 3 328.460 2.702 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000459792517 478095042 /nfs/dbraw/zinc/09/50/42/478095042.db2.gz SFKNWJIBRFYFHR-UXHICEINSA-N 1 3 343.515 2.876 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000459792515 478096039 /nfs/dbraw/zinc/09/60/39/478096039.db2.gz SFKNWJIBRFYFHR-PMACEKPBSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[NH+](CC2CCN(C/C=C/c3ccncc3)CC2)C[C@@H](C)O1 ZINC000494988125 478097839 /nfs/dbraw/zinc/09/78/39/478097839.db2.gz WYNCHGNGHYCCSF-GVKUHWBJSA-N 1 3 329.488 2.916 20 0 EFADHO CC(C)[NH+](CCCNC(=O)Nc1cccc2c1CCNC2)C(C)C ZINC000517535988 478099517 /nfs/dbraw/zinc/09/95/17/478099517.db2.gz TUPWKHHXKJTNJZ-UHFFFAOYSA-N 1 3 332.492 2.963 20 0 EFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1NC(C)=O ZINC000560527327 478105715 /nfs/dbraw/zinc/10/57/15/478105715.db2.gz FJXIUUORYJUYEO-LZLYRXPVSA-N 1 3 331.460 2.616 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)NCCc1ccccc1 ZINC000560585145 478114799 /nfs/dbraw/zinc/11/47/99/478114799.db2.gz QUWFDOUGFLAAJD-MJGOQNOKSA-N 1 3 331.504 2.588 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)NCCc1ccccc1 ZINC000560585145 478114804 /nfs/dbraw/zinc/11/48/04/478114804.db2.gz QUWFDOUGFLAAJD-MJGOQNOKSA-N 1 3 331.504 2.588 20 0 EFADHO OC1(C[NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000517732424 478118644 /nfs/dbraw/zinc/11/86/44/478118644.db2.gz GGZDMDJBTYURMH-UHFFFAOYSA-N 1 3 346.515 2.952 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429414652 478131994 /nfs/dbraw/zinc/13/19/94/478131994.db2.gz CBURDICQHOTGBP-NZSAHSFTSA-N 1 3 333.545 2.534 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429414652 478131998 /nfs/dbraw/zinc/13/19/98/478131998.db2.gz CBURDICQHOTGBP-NZSAHSFTSA-N 1 3 333.545 2.534 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000495193484 478137985 /nfs/dbraw/zinc/13/79/85/478137985.db2.gz PXJCBCLDIRPWEB-SFHVURJKSA-N 1 3 331.504 2.876 20 0 EFADHO CS(=O)(=O)c1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000518130904 478145539 /nfs/dbraw/zinc/14/55/39/478145539.db2.gz FLGIHRWORWWLSS-SFHVURJKSA-N 1 3 332.469 2.660 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000518169409 478148356 /nfs/dbraw/zinc/14/83/56/478148356.db2.gz WFEPJKFYXCCEDZ-QFBILLFUSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000518169409 478148360 /nfs/dbraw/zinc/14/83/60/478148360.db2.gz WFEPJKFYXCCEDZ-QFBILLFUSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000518169409 478148370 /nfs/dbraw/zinc/14/83/70/478148370.db2.gz WFEPJKFYXCCEDZ-QFBILLFUSA-N 1 3 346.515 2.798 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000495266017 478155859 /nfs/dbraw/zinc/15/58/59/478155859.db2.gz QJOFESNGZWWPOT-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@H+]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000495266017 478155863 /nfs/dbraw/zinc/15/58/63/478155863.db2.gz QJOFESNGZWWPOT-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000495277854 478159421 /nfs/dbraw/zinc/15/94/21/478159421.db2.gz XZXAQGDBFDSCGK-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000495277854 478159426 /nfs/dbraw/zinc/15/94/26/478159426.db2.gz XZXAQGDBFDSCGK-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000495277854 478159433 /nfs/dbraw/zinc/15/94/33/478159433.db2.gz XZXAQGDBFDSCGK-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000495277854 478159441 /nfs/dbraw/zinc/15/94/41/478159441.db2.gz XZXAQGDBFDSCGK-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO CC[C@@H](F)CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000440792998 478161392 /nfs/dbraw/zinc/16/13/92/478161392.db2.gz NZYAMOLTFNDCNW-LJQANCHMSA-N 1 3 349.494 2.695 20 0 EFADHO CC[C@@H](F)CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000440792998 478161396 /nfs/dbraw/zinc/16/13/96/478161396.db2.gz NZYAMOLTFNDCNW-LJQANCHMSA-N 1 3 349.494 2.695 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574405 478163787 /nfs/dbraw/zinc/16/37/87/478163787.db2.gz HFULJCWSWTWSFV-QRQLOZEOSA-N 1 3 343.515 2.601 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574405 478163789 /nfs/dbraw/zinc/16/37/89/478163789.db2.gz HFULJCWSWTWSFV-QRQLOZEOSA-N 1 3 343.515 2.601 20 0 EFADHO CCCN(CC(F)F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000561206486 478165470 /nfs/dbraw/zinc/16/54/70/478165470.db2.gz LSKLBKYBIQALHR-UHFFFAOYSA-N 1 3 345.478 2.686 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C3CCC3)CC2)CC1 ZINC000561224795 478169077 /nfs/dbraw/zinc/16/90/77/478169077.db2.gz GICQWFPBRIWLJF-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO NC(=O)CC[N@H+](CCCN1CCCCC1)[C@@H]1CCOc2ccccc21 ZINC000451706512 478169272 /nfs/dbraw/zinc/16/92/72/478169272.db2.gz GSXVJNDAPFYQBI-GOSISDBHSA-N 1 3 345.487 2.564 20 0 EFADHO NC(=O)CC[N@@H+](CCCN1CCCCC1)[C@@H]1CCOc2ccccc21 ZINC000451706512 478169277 /nfs/dbraw/zinc/16/92/77/478169277.db2.gz GSXVJNDAPFYQBI-GOSISDBHSA-N 1 3 345.487 2.564 20 0 EFADHO COCCN(C)CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000518514035 478174554 /nfs/dbraw/zinc/17/45/54/478174554.db2.gz JCFFLIYBPCKRIV-RLLQIKCJSA-N 1 3 333.520 2.674 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377452 478185217 /nfs/dbraw/zinc/18/52/17/478185217.db2.gz PJTIFNSEMRMFKL-GOSISDBHSA-N 1 3 327.513 2.953 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000495433894 478196541 /nfs/dbraw/zinc/19/65/41/478196541.db2.gz LEFNJZBTYHHIAF-GJZGRUSLSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000495433894 478196544 /nfs/dbraw/zinc/19/65/44/478196544.db2.gz LEFNJZBTYHHIAF-GJZGRUSLSA-N 1 3 325.497 2.706 20 0 EFADHO N[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000519117897 478210267 /nfs/dbraw/zinc/21/02/67/478210267.db2.gz KAJCZANXJRPIMJ-LJQANCHMSA-N 1 3 344.503 2.640 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519141239 478211030 /nfs/dbraw/zinc/21/10/30/478211030.db2.gz UVGUCEPERZZZQZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519141239 478211033 /nfs/dbraw/zinc/21/10/33/478211033.db2.gz UVGUCEPERZZZQZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519141242 478211432 /nfs/dbraw/zinc/21/14/32/478211432.db2.gz UVGUCEPERZZZQZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519141242 478211436 /nfs/dbraw/zinc/21/14/36/478211436.db2.gz UVGUCEPERZZZQZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000562179731 478217874 /nfs/dbraw/zinc/21/78/74/478217874.db2.gz YYIUZOWLGQEITO-LJQANCHMSA-N 1 3 346.519 2.807 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495604152 478243563 /nfs/dbraw/zinc/24/35/63/478243563.db2.gz SCFXMVVIQFEOOB-INIZCTEOSA-N 1 3 339.524 2.953 20 0 EFADHO Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000489492967 478251015 /nfs/dbraw/zinc/25/10/15/478251015.db2.gz ZMUZCLQHSLFGIO-INIZCTEOSA-N 1 3 338.879 2.908 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000519927141 478270521 /nfs/dbraw/zinc/27/05/21/478270521.db2.gz KUNDNPDTICYRRB-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000570062132 478276656 /nfs/dbraw/zinc/27/66/56/478276656.db2.gz UCAPQEGOHWVLEJ-VQTJNVASSA-N 1 3 340.471 2.591 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000579349894 478277217 /nfs/dbraw/zinc/27/72/17/478277217.db2.gz ZCZHEEGEBDJSRY-DYESRHJHSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000579349894 478277221 /nfs/dbraw/zinc/27/72/21/478277221.db2.gz ZCZHEEGEBDJSRY-DYESRHJHSA-N 1 3 341.499 2.642 20 0 EFADHO N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000570087256 478280578 /nfs/dbraw/zinc/28/05/78/478280578.db2.gz QKDCQMLLTYCLKG-LEWJYISDSA-N 1 3 349.478 2.913 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495751443 478300852 /nfs/dbraw/zinc/30/08/52/478300852.db2.gz ZGKMYCFORVLYAJ-GJZGRUSLSA-N 1 3 325.497 2.562 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426211 478301528 /nfs/dbraw/zinc/30/15/28/478301528.db2.gz NDXBKRBALGOYOX-UWJYYQICSA-N 1 3 342.531 2.971 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426211 478301534 /nfs/dbraw/zinc/30/15/34/478301534.db2.gz NDXBKRBALGOYOX-UWJYYQICSA-N 1 3 342.531 2.971 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495751442 478301957 /nfs/dbraw/zinc/30/19/57/478301957.db2.gz ZGKMYCFORVLYAJ-CABCVRRESA-N 1 3 325.497 2.562 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000520400655 478306865 /nfs/dbraw/zinc/30/68/65/478306865.db2.gz OJFSEWNQNNOZSW-IBGZPJMESA-N 1 3 325.456 2.845 20 0 EFADHO COc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000579473027 478307287 /nfs/dbraw/zinc/30/72/87/478307287.db2.gz BPUCQVKZFBALOQ-LSDHHAIUSA-N 1 3 329.444 2.885 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000490379776 478335298 /nfs/dbraw/zinc/33/52/98/478335298.db2.gz UEINOGYXSAWZSS-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000490379776 478335305 /nfs/dbraw/zinc/33/53/05/478335305.db2.gz UEINOGYXSAWZSS-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000490375959 478335721 /nfs/dbraw/zinc/33/57/21/478335721.db2.gz QRWMJFLVROIQAK-QUCCMNQESA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000490375959 478335729 /nfs/dbraw/zinc/33/57/29/478335729.db2.gz QRWMJFLVROIQAK-QUCCMNQESA-N 1 3 348.535 2.521 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000570382975 478347982 /nfs/dbraw/zinc/34/79/82/478347982.db2.gz ZEWVEKBFWQDTIG-INIZCTEOSA-N 1 3 340.899 2.713 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000590812148 478351087 /nfs/dbraw/zinc/35/10/87/478351087.db2.gz QDKSTYIIIYVEAI-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000562811879 478358040 /nfs/dbraw/zinc/35/80/40/478358040.db2.gz VRBYGHAGZZTURN-JENIJYKNSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000562811879 478358049 /nfs/dbraw/zinc/35/80/49/478358049.db2.gz VRBYGHAGZZTURN-JENIJYKNSA-N 1 3 346.519 2.535 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000562814825 478359525 /nfs/dbraw/zinc/35/95/25/478359525.db2.gz IGZOPDIZFKKOCI-SJLPKXTDSA-N 1 3 334.508 2.674 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC000538761771 478382549 /nfs/dbraw/zinc/38/25/49/478382549.db2.gz ASNPVWOCQVZSEJ-UHFFFAOYSA-N 1 3 341.503 2.553 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2Cl)c1 ZINC000570564353 478387985 /nfs/dbraw/zinc/38/79/85/478387985.db2.gz NBJYJTQWGFKLOM-QGZVFWFLSA-N 1 3 348.874 2.931 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccccc1 ZINC000562987747 478403760 /nfs/dbraw/zinc/40/37/60/478403760.db2.gz KGLZXNKDLHNTOC-QGZVFWFLSA-N 1 3 338.517 2.705 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccccc1 ZINC000562987747 478403765 /nfs/dbraw/zinc/40/37/65/478403765.db2.gz KGLZXNKDLHNTOC-QGZVFWFLSA-N 1 3 338.517 2.705 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000562986683 478405051 /nfs/dbraw/zinc/40/50/51/478405051.db2.gz ICPGDMWZUGWJNA-INIZCTEOSA-N 1 3 342.405 2.782 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC000562986683 478405059 /nfs/dbraw/zinc/40/50/59/478405059.db2.gz ICPGDMWZUGWJNA-INIZCTEOSA-N 1 3 342.405 2.782 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000562989462 478406415 /nfs/dbraw/zinc/40/64/15/478406415.db2.gz KYAQEHGZBRXFNY-BZUAXINKSA-N 1 3 340.895 2.851 20 0 EFADHO C/C=C/c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000562994777 478408044 /nfs/dbraw/zinc/40/80/44/478408044.db2.gz DOHXSAFGSAMPFH-PKIFBNGUSA-N 1 3 348.487 2.540 20 0 EFADHO C/C=C/c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000562994777 478408051 /nfs/dbraw/zinc/40/80/51/478408051.db2.gz DOHXSAFGSAMPFH-PKIFBNGUSA-N 1 3 348.487 2.540 20 0 EFADHO C/C=C/c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000562994774 478408515 /nfs/dbraw/zinc/40/85/15/478408515.db2.gz DOHXSAFGSAMPFH-NQJONBRJSA-N 1 3 348.487 2.540 20 0 EFADHO C/C=C/c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000562994774 478408524 /nfs/dbraw/zinc/40/85/24/478408524.db2.gz DOHXSAFGSAMPFH-NQJONBRJSA-N 1 3 348.487 2.540 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000581656235 478412076 /nfs/dbraw/zinc/41/20/76/478412076.db2.gz GJZKORUZKIFFLK-IPMKNSEASA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)N1CCCCC1 ZINC000563014647 478417101 /nfs/dbraw/zinc/41/71/01/478417101.db2.gz ZWFVODAHHVZYGW-NVXWUHKLSA-N 1 3 340.895 2.934 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581683778 478419660 /nfs/dbraw/zinc/41/96/60/478419660.db2.gz GHWGUDGJSIHFJM-IBGZPJMESA-N 1 3 331.504 2.785 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC(CC[NH3+])CC1 ZINC000581731165 478431949 /nfs/dbraw/zinc/43/19/49/478431949.db2.gz MQWOVBXWACWDTC-UONOGXRCSA-N 1 3 337.895 2.967 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000563056696 478433494 /nfs/dbraw/zinc/43/34/94/478433494.db2.gz YRUIDVRSQNHFEO-QFBILLFUSA-N 1 3 331.504 2.574 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000563056691 478433790 /nfs/dbraw/zinc/43/37/90/478433790.db2.gz YRUIDVRSQNHFEO-APWZRJJASA-N 1 3 331.504 2.574 20 0 EFADHO CC(C)C[C@H](CNC[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953458 478435835 /nfs/dbraw/zinc/43/58/35/478435835.db2.gz XBWDCUDNABMDKG-HZPDHXFCSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)C[C@H](CNC[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953458 478435842 /nfs/dbraw/zinc/43/58/42/478435842.db2.gz XBWDCUDNABMDKG-HZPDHXFCSA-N 1 3 327.513 2.857 20 0 EFADHO CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000539825119 478444021 /nfs/dbraw/zinc/44/40/21/478444021.db2.gz MAOVRWBMMSQZPS-RXVVDRJESA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000539825119 478444028 /nfs/dbraw/zinc/44/40/28/478444028.db2.gz MAOVRWBMMSQZPS-RXVVDRJESA-N 1 3 345.531 2.933 20 0 EFADHO c1ccc(C[NH+]2CCC(OCCCNCc3cnccn3)CC2)cc1 ZINC000581870217 478454526 /nfs/dbraw/zinc/45/45/26/478454526.db2.gz RBINTIQXVUHWFZ-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO C[C@@H](CNC[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000570836747 478459586 /nfs/dbraw/zinc/45/95/86/478459586.db2.gz LBTGIRPEPYSPTG-WMLDXEAASA-N 1 3 344.421 2.930 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000570836747 478459593 /nfs/dbraw/zinc/45/95/93/478459593.db2.gz LBTGIRPEPYSPTG-WMLDXEAASA-N 1 3 344.421 2.930 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495983759 478459698 /nfs/dbraw/zinc/45/96/98/478459698.db2.gz SHDQGNYRTSWHOO-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO Cc1ccccc1[C@H](CN1CCOCC1)NCc1ccc(C[NH3+])cc1 ZINC000563154057 478464127 /nfs/dbraw/zinc/46/41/27/478464127.db2.gz NENSDQSEBDOQTG-NRFANRHFSA-N 1 3 339.483 2.617 20 0 EFADHO CC(C)C[C@@H](C[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000496004681 478471814 /nfs/dbraw/zinc/47/18/14/478471814.db2.gz YLWZANBWAXETTG-INIZCTEOSA-N 1 3 325.497 2.777 20 0 EFADHO COc1cc(OC)cc(OCCCNC2CC[NH+](CC3CC3)CC2)c1 ZINC000540399161 478473177 /nfs/dbraw/zinc/47/31/77/478473177.db2.gz VNVQSSPJKUFJEJ-UHFFFAOYSA-N 1 3 348.487 2.937 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000581997446 478485672 /nfs/dbraw/zinc/48/56/72/478485672.db2.gz MLOKLFXUVXEOKR-AWEZNQCLSA-N 1 3 336.505 2.846 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000582117292 478514105 /nfs/dbraw/zinc/51/41/05/478514105.db2.gz KYIYJGHVLBWSBA-HZPDHXFCSA-N 1 3 340.895 2.710 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000582117290 478515369 /nfs/dbraw/zinc/51/53/69/478515369.db2.gz KYIYJGHVLBWSBA-CVEARBPZSA-N 1 3 340.895 2.710 20 0 EFADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000563350104 478525638 /nfs/dbraw/zinc/52/56/38/478525638.db2.gz KZJXKQDNIVHUKO-CABCVRRESA-N 1 3 337.533 2.514 20 0 EFADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000563350104 478525645 /nfs/dbraw/zinc/52/56/45/478525645.db2.gz KZJXKQDNIVHUKO-CABCVRRESA-N 1 3 337.533 2.514 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](N)Cc1ccccc1 ZINC000582180119 478533246 /nfs/dbraw/zinc/53/32/46/478533246.db2.gz WZGMLMDIOLZEKQ-SLFFLAALSA-N 1 3 345.531 2.963 20 0 EFADHO Cn1cncc1CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000563363636 478534230 /nfs/dbraw/zinc/53/42/30/478534230.db2.gz IZMNKPHVUUULIW-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000563363636 478534235 /nfs/dbraw/zinc/53/42/35/478534235.db2.gz IZMNKPHVUUULIW-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000563363636 478534242 /nfs/dbraw/zinc/53/42/42/478534242.db2.gz IZMNKPHVUUULIW-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563363636 478534250 /nfs/dbraw/zinc/53/42/50/478534250.db2.gz IZMNKPHVUUULIW-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496099876 478536722 /nfs/dbraw/zinc/53/67/22/478536722.db2.gz AYUOTRWTCJRWTB-JKSUJKDBSA-N 1 3 339.524 2.952 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000563378517 478539924 /nfs/dbraw/zinc/53/99/24/478539924.db2.gz UCRZOWKEJIIYFU-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000563378517 478539930 /nfs/dbraw/zinc/53/99/30/478539930.db2.gz UCRZOWKEJIIYFU-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO CCCCCC(=O)NC1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000582306332 478567089 /nfs/dbraw/zinc/56/70/89/478567089.db2.gz KXDKCFVFLKTREL-UHFFFAOYSA-N 1 3 343.515 2.993 20 0 EFADHO CCOC(=O)c1oc2c(c1C)[C@@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591581839 478585052 /nfs/dbraw/zinc/58/50/52/478585052.db2.gz YVWDSJCMCXDNAP-ZFWWWQNUSA-N 1 3 332.444 2.874 20 0 EFADHO CCN(CCC[NH+](C)C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000496180638 478592081 /nfs/dbraw/zinc/59/20/81/478592081.db2.gz IUEMWFQRZTWECL-GOSISDBHSA-N 1 3 327.513 2.907 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000563588295 478593282 /nfs/dbraw/zinc/59/32/82/478593282.db2.gz ZGXQSRTVXRUNCU-SQNIBIBYSA-N 1 3 329.488 2.561 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000527971312 478593651 /nfs/dbraw/zinc/59/36/51/478593651.db2.gz ZUEXSAXFEFAXGJ-WLRLJWMZSA-N 1 3 343.515 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000527971312 478593658 /nfs/dbraw/zinc/59/36/58/478593658.db2.gz ZUEXSAXFEFAXGJ-WLRLJWMZSA-N 1 3 343.515 2.732 20 0 EFADHO C[N@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CCCC1 ZINC000591626759 478598058 /nfs/dbraw/zinc/59/80/58/478598058.db2.gz LDJMPARMNPKLOL-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[N@@H+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CCCC1 ZINC000591626759 478598065 /nfs/dbraw/zinc/59/80/65/478598065.db2.gz LDJMPARMNPKLOL-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000582485162 478610262 /nfs/dbraw/zinc/61/02/62/478610262.db2.gz XYFRHDIYIUCOJZ-LPHOPBHVSA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000582485162 478610270 /nfs/dbraw/zinc/61/02/70/478610270.db2.gz XYFRHDIYIUCOJZ-LPHOPBHVSA-N 1 3 343.515 2.890 20 0 EFADHO CSC[C@H](O)CNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000591726660 478614142 /nfs/dbraw/zinc/61/41/42/478614142.db2.gz XHTNBMCVHVDCKF-GPMSIDNRSA-N 1 3 336.545 2.978 20 0 EFADHO CSC[C@@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000591726656 478614213 /nfs/dbraw/zinc/61/42/13/478614213.db2.gz XHTNBMCVHVDCKF-FCEWJHQRSA-N 1 3 336.545 2.978 20 0 EFADHO CSC[C@@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000591726656 478614225 /nfs/dbraw/zinc/61/42/25/478614225.db2.gz XHTNBMCVHVDCKF-FCEWJHQRSA-N 1 3 336.545 2.978 20 0 EFADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000563694028 478618593 /nfs/dbraw/zinc/61/85/93/478618593.db2.gz VTHNLONRGYJYAM-ROUUACIJSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cnc2c(Cl)cnn2c1 ZINC000582660025 478654611 /nfs/dbraw/zinc/65/46/11/478654611.db2.gz KNPTVLSBMFYTQA-DZGCQCFKSA-N 1 3 335.883 2.826 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000528151727 478661482 /nfs/dbraw/zinc/66/14/82/478661482.db2.gz UKHVDMXOUHXZCW-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCC2=CC[NH2+]CC2)cc1 ZINC000582719582 478667265 /nfs/dbraw/zinc/66/72/65/478667265.db2.gz KKORILBDZDTOFD-MOPGFXCFSA-N 1 3 348.512 2.589 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H](C)c3c[nH+]ccc3N)cc2)CC1 ZINC000582899258 478713623 /nfs/dbraw/zinc/71/36/23/478713623.db2.gz KFGRKOSDFAUOQB-MRXNPFEDSA-N 1 3 339.487 2.805 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc(C)c1Cl ZINC000582943584 478722530 /nfs/dbraw/zinc/72/25/30/478722530.db2.gz YTUDGMCBZJJHDY-UHFFFAOYSA-N 1 3 340.899 2.914 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000571992447 478723639 /nfs/dbraw/zinc/72/36/39/478723639.db2.gz XUHATNZAVUBWKR-CQSZACIVSA-N 1 3 336.505 2.846 20 0 EFADHO CC1=C(C)C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000583026915 478745631 /nfs/dbraw/zinc/74/56/31/478745631.db2.gz RCIVMQGLAQBPKH-KRWDZBQOSA-N 1 3 333.520 2.798 20 0 EFADHO CCN(Cc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000572157140 478767887 /nfs/dbraw/zinc/76/78/87/478767887.db2.gz FPIBXNZYADGLGH-GOSISDBHSA-N 1 3 329.488 2.933 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CCN(C)c1ccncc1 ZINC000543712846 478770052 /nfs/dbraw/zinc/77/00/52/478770052.db2.gz NAUNLFPUXKBQEL-HKUYNNGSSA-N 1 3 346.519 2.925 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000572226144 478781067 /nfs/dbraw/zinc/78/10/67/478781067.db2.gz GIRGAHCCDXTCPJ-QXAKKESOSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000583298344 478814186 /nfs/dbraw/zinc/81/41/86/478814186.db2.gz YTIJWAXZISDYPK-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000583298344 478814198 /nfs/dbraw/zinc/81/41/98/478814198.db2.gz YTIJWAXZISDYPK-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000572356700 478816062 /nfs/dbraw/zinc/81/60/62/478816062.db2.gz SCBUWOPDOBFLJA-RDBSUJKOSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000572356700 478816068 /nfs/dbraw/zinc/81/60/68/478816068.db2.gz SCBUWOPDOBFLJA-RDBSUJKOSA-N 1 3 346.393 2.517 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000583317615 478821279 /nfs/dbraw/zinc/82/12/79/478821279.db2.gz QOPATPSSJLNGPL-RBUKOAKNSA-N 1 3 334.504 2.753 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000572376182 478821969 /nfs/dbraw/zinc/82/19/69/478821969.db2.gz WYRHZCHNNSQLFY-UHFFFAOYSA-N 1 3 330.476 2.717 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572381417 478824001 /nfs/dbraw/zinc/82/40/01/478824001.db2.gz BKMOMZWDIKFQRE-HKUYNNGSSA-N 1 3 346.519 2.727 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000564844692 478829793 /nfs/dbraw/zinc/82/97/93/478829793.db2.gz LRCOVMOGAOZSNE-LAUBAEHRSA-N 1 3 342.483 2.881 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000564847992 478831054 /nfs/dbraw/zinc/83/10/54/478831054.db2.gz SEEQQYYUXJKFFO-FXAWDEMLSA-N 1 3 342.483 2.901 20 0 EFADHO CC[N@H+]1C[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)[C@@H](C)C1 ZINC000503268912 478838010 /nfs/dbraw/zinc/83/80/10/478838010.db2.gz YUCFZDNHBJDJEF-PXNSSMCTSA-N 1 3 330.520 2.969 20 0 EFADHO CC[N@@H+]1C[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)[C@@H](C)C1 ZINC000503268912 478838015 /nfs/dbraw/zinc/83/80/15/478838015.db2.gz YUCFZDNHBJDJEF-PXNSSMCTSA-N 1 3 330.520 2.969 20 0 EFADHO CCN(CC)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000503533456 478844083 /nfs/dbraw/zinc/84/40/83/478844083.db2.gz IEKDBHATLLROAZ-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000503533456 478844090 /nfs/dbraw/zinc/84/40/90/478844090.db2.gz IEKDBHATLLROAZ-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504433391 478852736 /nfs/dbraw/zinc/85/27/36/478852736.db2.gz HSIVHIUZVZBJKY-KRWDZBQOSA-N 1 3 328.545 2.723 20 0 EFADHO CCN1CCN(c2ccccc2CN2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000505295135 478862479 /nfs/dbraw/zinc/86/24/79/478862479.db2.gz DIBJFRGYRMKJMH-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CCN1CCN(c2ccccc2CN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000505295135 478862486 /nfs/dbraw/zinc/86/24/86/478862486.db2.gz DIBJFRGYRMKJMH-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO [NH3+]Cc1cc(NC(=O)[C@@H]2CNCc3ccccc32)cc(C(F)(F)F)c1 ZINC000564949415 478867957 /nfs/dbraw/zinc/86/79/57/478867957.db2.gz JLYQKBSCPNQAQH-MRXNPFEDSA-N 1 3 349.356 2.990 20 0 EFADHO CN(C)C/C=C\C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000492248975 478890214 /nfs/dbraw/zinc/89/02/14/478890214.db2.gz FGCDJZNQWAWSKU-TWGQIWQCSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C\C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000492248975 478890216 /nfs/dbraw/zinc/89/02/16/478890216.db2.gz FGCDJZNQWAWSKU-TWGQIWQCSA-N 1 3 341.499 2.619 20 0 EFADHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000572662739 478890462 /nfs/dbraw/zinc/89/04/62/478890462.db2.gz SCRQRGDUTINUHJ-SJORKVTESA-N 1 3 332.488 2.911 20 0 EFADHO COc1ccc(C)cc1C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000572662739 478890469 /nfs/dbraw/zinc/89/04/69/478890469.db2.gz SCRQRGDUTINUHJ-SJORKVTESA-N 1 3 332.488 2.911 20 0 EFADHO CCNCCC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572712634 478902257 /nfs/dbraw/zinc/90/22/57/478902257.db2.gz KBAOBDBVVWBUOW-HZPDHXFCSA-N 1 3 343.471 2.573 20 0 EFADHO COc1cc(CN(C)Cc2ccc3c(c2)C[NH2+]CC3)cc(OC)c1 ZINC000565092968 478910745 /nfs/dbraw/zinc/91/07/45/478910745.db2.gz IFDSSHKCLIJIFE-UHFFFAOYSA-N 1 3 326.440 2.982 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000572824648 478927924 /nfs/dbraw/zinc/92/79/24/478927924.db2.gz BNMUBUQDHHHEGQ-SJLPKXTDSA-N 1 3 344.503 2.783 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cccnc3C)CC2)CC1 ZINC000565200267 478948469 /nfs/dbraw/zinc/94/84/69/478948469.db2.gz ORXBRTUNVDJPMD-UHFFFAOYSA-N 1 3 344.503 2.549 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000565224429 478956019 /nfs/dbraw/zinc/95/60/19/478956019.db2.gz IKJXYJUROLYEOL-HZPDHXFCSA-N 1 3 336.476 2.895 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@@H](N)C2)cc1OC ZINC000565224429 478956030 /nfs/dbraw/zinc/95/60/30/478956030.db2.gz IKJXYJUROLYEOL-HZPDHXFCSA-N 1 3 336.476 2.895 20 0 EFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583870346 478961326 /nfs/dbraw/zinc/96/13/26/478961326.db2.gz LYBIRPCQVODTFZ-ZYSHUDEJSA-N 1 3 343.515 2.574 20 0 EFADHO COc1ccc(C[NH+](C)C)cc1NC(=O)NCCN1CC=C(C)CC1 ZINC000545862738 478963278 /nfs/dbraw/zinc/96/32/78/478963278.db2.gz VXYISSDWMIZCQI-UHFFFAOYSA-N 1 3 346.475 2.530 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510730756 478970501 /nfs/dbraw/zinc/97/05/01/478970501.db2.gz GQWVXLLXUWFSQZ-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO CCOCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573005662 478972124 /nfs/dbraw/zinc/97/21/24/478972124.db2.gz XNZKLNYVTFKXSZ-SJORKVTESA-N 1 3 340.533 2.598 20 0 EFADHO CCOCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573005662 478972127 /nfs/dbraw/zinc/97/21/27/478972127.db2.gz XNZKLNYVTFKXSZ-SJORKVTESA-N 1 3 340.533 2.598 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000573088786 478988936 /nfs/dbraw/zinc/98/89/36/478988936.db2.gz YIPFWYGRWORMRM-UXHICEINSA-N 1 3 340.471 2.591 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+]C2CC2)cc(N2CCN(C(C)C)CC2)c1 ZINC000565373941 478994022 /nfs/dbraw/zinc/99/40/22/478994022.db2.gz RJECQSAXAIFTSU-UHFFFAOYSA-N 1 3 344.503 2.606 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512561325 479001107 /nfs/dbraw/zinc/00/11/07/479001107.db2.gz XNWPOVPLYJORJU-PKOBYXMFSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512561325 479001115 /nfs/dbraw/zinc/00/11/15/479001115.db2.gz XNWPOVPLYJORJU-PKOBYXMFSA-N 1 3 331.504 2.744 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573188615 479009006 /nfs/dbraw/zinc/00/90/06/479009006.db2.gz HFFJWJUVNZWPQZ-KRWDZBQOSA-N 1 3 346.475 2.507 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000573188615 479009015 /nfs/dbraw/zinc/00/90/15/479009015.db2.gz HFFJWJUVNZWPQZ-KRWDZBQOSA-N 1 3 346.475 2.507 20 0 EFADHO CC1CCN([C@H](CNC(=O)NC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000584102425 479014637 /nfs/dbraw/zinc/01/46/37/479014637.db2.gz DDHQEVVVYACMGD-LJQANCHMSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@]1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000514590190 479028595 /nfs/dbraw/zinc/02/85/95/479028595.db2.gz PLVPVEGVGDGGJU-ICSRJNTNSA-N 1 3 344.503 2.512 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](CC4CC4)C3)CC2)CC1 ZINC000565550274 479034362 /nfs/dbraw/zinc/03/43/62/479034362.db2.gz QYPJZKVPSCZDEP-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO c1c(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccn12 ZINC000584166895 479037043 /nfs/dbraw/zinc/03/70/43/479037043.db2.gz NJUDNNGNPBCYBK-GHTZIAJQSA-N 1 3 348.450 2.722 20 0 EFADHO CN(C[C@@H](O)CNc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000514668833 479043735 /nfs/dbraw/zinc/04/37/35/479043735.db2.gz PAJXLMINHCYQRD-FQEVSTJZSA-N 1 3 331.504 2.582 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CC(F)(F)F)CC2)CC1 ZINC000573385114 479054284 /nfs/dbraw/zinc/05/42/84/479054284.db2.gz OTJALSBWIYCHQR-CYBMUJFWSA-N 1 3 349.441 2.640 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H](N)C3)cc2c(OC)c1 ZINC000514738836 479059769 /nfs/dbraw/zinc/05/97/69/479059769.db2.gz LDQODMUVBRWBFF-ZIAGYGMSSA-N 1 3 331.460 2.977 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@@H](N)C3)cc2c(OC)c1 ZINC000514738834 479060116 /nfs/dbraw/zinc/06/01/16/479060116.db2.gz LDQODMUVBRWBFF-KGLIPLIRSA-N 1 3 331.460 2.977 20 0 EFADHO CCc1[nH+]c2ccccc2c(NC[C@@H](C)N2CCN(C)CC2)c1C ZINC000565673010 479060716 /nfs/dbraw/zinc/06/07/16/479060716.db2.gz BRZJCUFYFWEXRG-OAHLLOKOSA-N 1 3 326.488 2.575 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789101 479066022 /nfs/dbraw/zinc/06/60/22/479066022.db2.gz WHYBCKHPYUBPLG-RDJZCZTQSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789101 479066040 /nfs/dbraw/zinc/06/60/40/479066040.db2.gz WHYBCKHPYUBPLG-RDJZCZTQSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789101 479066047 /nfs/dbraw/zinc/06/60/47/479066047.db2.gz WHYBCKHPYUBPLG-RDJZCZTQSA-N 1 3 340.895 2.539 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C3CC3)C3CCC3)CC2)CC1 ZINC000584241739 479066872 /nfs/dbraw/zinc/06/68/72/479066872.db2.gz SXGJVPXEAGWCTG-HXUWFJFHSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1C ZINC000514931876 479092057 /nfs/dbraw/zinc/09/20/57/479092057.db2.gz BCNRENFVBHZDLM-GBESFXJTSA-N 1 3 334.504 2.814 20 0 EFADHO C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC[C@@H]1O ZINC000514930724 479092820 /nfs/dbraw/zinc/09/28/20/479092820.db2.gz OKJGDMXHVYSITC-MDNKFWRPSA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000515061892 479113173 /nfs/dbraw/zinc/11/31/73/479113173.db2.gz JUVPETQCHSYLQE-NZSAHSFTSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000515061892 479113177 /nfs/dbraw/zinc/11/31/77/479113177.db2.gz JUVPETQCHSYLQE-NZSAHSFTSA-N 1 3 331.504 2.599 20 0 EFADHO Cc1ncc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)n1C ZINC000515072823 479117085 /nfs/dbraw/zinc/11/70/85/479117085.db2.gz KPWAUTGJLMSJPK-HZPDHXFCSA-N 1 3 326.488 2.975 20 0 EFADHO Cc1cnccc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584407256 479124787 /nfs/dbraw/zinc/12/47/87/479124787.db2.gz FHNTVZGTBOWLKX-QZTJIDSGSA-N 1 3 331.504 2.754 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000515164856 479126064 /nfs/dbraw/zinc/12/60/64/479126064.db2.gz TZBGNASSAKQCCC-QZTJIDSGSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000515164856 479126069 /nfs/dbraw/zinc/12/60/69/479126069.db2.gz TZBGNASSAKQCCC-QZTJIDSGSA-N 1 3 332.492 2.545 20 0 EFADHO COC(=O)CC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000599034053 479134223 /nfs/dbraw/zinc/13/42/23/479134223.db2.gz YYTDMZNYNGQYIB-OQSMONGASA-N 1 3 340.508 2.587 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000573824032 479152776 /nfs/dbraw/zinc/15/27/76/479152776.db2.gz JCODFSAUPYZQAR-AEFFLSMTSA-N 1 3 345.487 2.796 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC[C@H]1CCC[NH2+]C1 ZINC000573824036 479153584 /nfs/dbraw/zinc/15/35/84/479153584.db2.gz JCODFSAUPYZQAR-SJLPKXTDSA-N 1 3 345.487 2.796 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569842532 479193746 /nfs/dbraw/zinc/19/37/46/479193746.db2.gz RVKVQOCZDBZJRW-JZXOWHBKSA-N 1 3 334.508 2.568 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ncsc3C)CC2)CC1 ZINC000529545146 479200970 /nfs/dbraw/zinc/20/09/70/479200970.db2.gz ONOJXOMFLFHDJC-UHFFFAOYSA-N 1 3 336.505 2.586 20 0 EFADHO [NH3+]CCCn1ccc2cc(C(=O)NCCN3CCCCCC3)ccc21 ZINC000569924145 479210526 /nfs/dbraw/zinc/21/05/26/479210526.db2.gz RTNGWLUVOYKYPD-UHFFFAOYSA-N 1 3 342.487 2.596 20 0 EFADHO N[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000584770431 479236702 /nfs/dbraw/zinc/23/67/02/479236702.db2.gz RCSPKMNHLPSIAS-RBUKOAKNSA-N 1 3 344.503 2.783 20 0 EFADHO N[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000584770431 479236707 /nfs/dbraw/zinc/23/67/07/479236707.db2.gz RCSPKMNHLPSIAS-RBUKOAKNSA-N 1 3 344.503 2.783 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccsc1 ZINC000584778710 479240113 /nfs/dbraw/zinc/24/01/13/479240113.db2.gz VTJPFJWJLSGGJE-GZBFAFLISA-N 1 3 326.510 2.556 20 0 EFADHO CCc1cc(N2CCC(N[C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)ncn1 ZINC000556951966 479242189 /nfs/dbraw/zinc/24/21/89/479242189.db2.gz JCDFNYDUQYMQQE-VQIMIIECSA-N 1 3 345.535 2.908 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000574260458 479250862 /nfs/dbraw/zinc/25/08/62/479250862.db2.gz JMTCYUOODOGUKQ-IEBWSBKVSA-N 1 3 344.503 2.594 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000584834494 479258006 /nfs/dbraw/zinc/25/80/06/479258006.db2.gz QMJBKWBMHLVUEE-DOTOQJQBSA-N 1 3 340.895 2.790 20 0 EFADHO c1nc2ccccc2n1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000574307929 479262742 /nfs/dbraw/zinc/26/27/42/479262742.db2.gz JCTIHSUNFXTNMM-RXVVDRJESA-N 1 3 348.450 2.882 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(F)c3)CC2)CC1 ZINC000557486340 479282421 /nfs/dbraw/zinc/28/24/21/479282421.db2.gz RBQXGIYAALAZNM-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccc1[O-] ZINC000557522439 479284739 /nfs/dbraw/zinc/28/47/39/479284739.db2.gz LZMVBWGMXUVXGN-UHFFFAOYSA-N 1 3 326.444 2.921 20 0 EFADHO C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccc1[O-] ZINC000557522439 479284743 /nfs/dbraw/zinc/28/47/43/479284743.db2.gz LZMVBWGMXUVXGN-UHFFFAOYSA-N 1 3 326.444 2.921 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(CC)CCC3)CC2)CC1 ZINC000557634865 479296963 /nfs/dbraw/zinc/29/69/63/479296963.db2.gz ACZJNRCCXYWIPC-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC1CCN([C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000574741846 479339555 /nfs/dbraw/zinc/33/95/55/479339555.db2.gz CSTDFLJQPJCYLO-RTBURBONSA-N 1 3 344.503 2.511 20 0 EFADHO Fc1ccccc1[C@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000574989739 479385126 /nfs/dbraw/zinc/38/51/26/479385126.db2.gz BXWYKYIGBHZLGK-FQEVSTJZSA-N 1 3 327.447 2.604 20 0 EFADHO Cc1sc2ncnc(N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c2c1C ZINC000602613664 479424074 /nfs/dbraw/zinc/42/40/74/479424074.db2.gz JSVOCIGOUSWKMN-AWEZNQCLSA-N 1 3 345.516 2.889 20 0 EFADHO CSC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000611587320 479426103 /nfs/dbraw/zinc/42/61/03/479426103.db2.gz AHNGSRWLSFQZKV-FUMNGEBKSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587320 479426111 /nfs/dbraw/zinc/42/61/11/479426111.db2.gz AHNGSRWLSFQZKV-FUMNGEBKSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587320 479426116 /nfs/dbraw/zinc/42/61/16/479426116.db2.gz AHNGSRWLSFQZKV-FUMNGEBKSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000611587334 479426522 /nfs/dbraw/zinc/42/65/22/479426522.db2.gz AHNGSRWLSFQZKV-VNTMZGSJSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000611587334 479426526 /nfs/dbraw/zinc/42/65/26/479426526.db2.gz AHNGSRWLSFQZKV-VNTMZGSJSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611587334 479426529 /nfs/dbraw/zinc/42/65/29/479426529.db2.gz AHNGSRWLSFQZKV-VNTMZGSJSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000611587329 479426686 /nfs/dbraw/zinc/42/66/86/479426686.db2.gz AHNGSRWLSFQZKV-IYWMVGAKSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000611587329 479426691 /nfs/dbraw/zinc/42/66/91/479426691.db2.gz AHNGSRWLSFQZKV-IYWMVGAKSA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000611587329 479426694 /nfs/dbraw/zinc/42/66/94/479426694.db2.gz AHNGSRWLSFQZKV-IYWMVGAKSA-N 1 3 348.556 2.991 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(COCc2ccco2)c1 ZINC000575373012 479435602 /nfs/dbraw/zinc/43/56/02/479435602.db2.gz VGHVEIVECDKLOG-YSSFQJQWSA-N 1 3 344.455 2.838 20 0 EFADHO COC(C)(C)CN(C)Cc1cncc(C[N@H+](C)CC(C)(C)OC)c1 ZINC000575507209 479448153 /nfs/dbraw/zinc/44/81/53/479448153.db2.gz MLEKOTIQMTZPSB-UHFFFAOYSA-N 1 3 337.508 2.795 20 0 EFADHO COC(C)(C)CN(C)Cc1cncc(C[N@@H+](C)CC(C)(C)OC)c1 ZINC000575507209 479448157 /nfs/dbraw/zinc/44/81/57/479448157.db2.gz MLEKOTIQMTZPSB-UHFFFAOYSA-N 1 3 337.508 2.795 20 0 EFADHO CN1CCO[C@H]([C@@H](NC2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000575740718 479465359 /nfs/dbraw/zinc/46/53/59/479465359.db2.gz DWMGBTCARYQLDI-FOIPXRHGSA-N 1 3 337.895 2.571 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604188276 479481795 /nfs/dbraw/zinc/48/17/95/479481795.db2.gz TUYQVWQNYISRRJ-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604188276 479481797 /nfs/dbraw/zinc/48/17/97/479481797.db2.gz TUYQVWQNYISRRJ-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604205705 479486798 /nfs/dbraw/zinc/48/67/98/479486798.db2.gz PUROGDHZXSMAKO-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604205705 479486805 /nfs/dbraw/zinc/48/68/05/479486805.db2.gz PUROGDHZXSMAKO-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO CCN1CCN([C@@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589163266 479488960 /nfs/dbraw/zinc/48/89/60/479488960.db2.gz HOLYKSLKACUKQH-CWIOURORSA-N 1 3 335.442 2.690 20 0 EFADHO CCN1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589163266 479488967 /nfs/dbraw/zinc/48/89/67/479488967.db2.gz HOLYKSLKACUKQH-CWIOURORSA-N 1 3 335.442 2.690 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602718260 479500361 /nfs/dbraw/zinc/50/03/61/479500361.db2.gz UKJHERBAUAHFOM-MTNOOBJLSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602718260 479500369 /nfs/dbraw/zinc/50/03/69/479500369.db2.gz UKJHERBAUAHFOM-MTNOOBJLSA-N 1 3 328.456 2.896 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000575981334 479514809 /nfs/dbraw/zinc/51/48/09/479514809.db2.gz HJJMSEYTNHMMKF-RDTXWAMCSA-N 1 3 340.895 2.852 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C(C)(C)C)CC1 ZINC000575985576 479516985 /nfs/dbraw/zinc/51/69/85/479516985.db2.gz SSAFRFMWQCLKSD-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000576001942 479520877 /nfs/dbraw/zinc/52/08/77/479520877.db2.gz MVRVLWUAUVWRTO-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000576001942 479520886 /nfs/dbraw/zinc/52/08/86/479520886.db2.gz MVRVLWUAUVWRTO-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000589646173 479553771 /nfs/dbraw/zinc/55/37/71/479553771.db2.gz LAJBLKGJPLCCPM-IYBDPMFKSA-N 1 3 330.476 2.552 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@](C)(CO)c2ccccc2)cc1 ZINC000604765242 479565778 /nfs/dbraw/zinc/56/57/78/479565778.db2.gz NBYCGNXOQVPPBQ-HXUWFJFHSA-N 1 3 328.456 2.624 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)(C)C ZINC000604788894 479571750 /nfs/dbraw/zinc/57/17/50/479571750.db2.gz SUPSXIPWAGQTMC-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000578865479 479622191 /nfs/dbraw/zinc/62/21/91/479622191.db2.gz QNTZSYUTALGCCX-LSTDLKDCSA-N 1 3 346.519 2.807 20 0 EFADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875711 479623919 /nfs/dbraw/zinc/62/39/19/479623919.db2.gz XIYJPSAESIDJGA-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875711 479623923 /nfs/dbraw/zinc/62/39/23/479623923.db2.gz XIYJPSAESIDJGA-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccn1 ZINC000578951877 479635541 /nfs/dbraw/zinc/63/55/41/479635541.db2.gz PQIACPUKUDOXPL-JCGIZDLHSA-N 1 3 333.476 2.509 20 0 EFADHO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000597236672 479636999 /nfs/dbraw/zinc/63/69/99/479636999.db2.gz WXAAQJWJFNYEGJ-AZUAARDMSA-N 1 3 348.487 2.839 20 0 EFADHO CC[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000605425809 479644758 /nfs/dbraw/zinc/64/47/58/479644758.db2.gz YPTNPIKWEDKTQI-BBWFWOEESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000605425809 479644764 /nfs/dbraw/zinc/64/47/64/479644764.db2.gz YPTNPIKWEDKTQI-BBWFWOEESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(CC)CC ZINC000605425810 479645175 /nfs/dbraw/zinc/64/51/75/479645175.db2.gz YPTNPIKWEDKTQI-BRWVUGGUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccn(CCN(C)C)n2)cc1 ZINC000579257156 479680920 /nfs/dbraw/zinc/68/09/20/479680920.db2.gz PBKFMAWOYWFXKG-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000633189932 479709177 /nfs/dbraw/zinc/70/91/77/479709177.db2.gz FZLKQDYIOGGZDI-SFHVURJKSA-N 1 3 348.535 2.663 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000615618985 479716581 /nfs/dbraw/zinc/71/65/81/479716581.db2.gz KWOFVNBBJLHLKV-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000615618985 479716585 /nfs/dbraw/zinc/71/65/85/479716585.db2.gz KWOFVNBBJLHLKV-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606667673 479719283 /nfs/dbraw/zinc/71/92/83/479719283.db2.gz JFQKLXCBAWEJBI-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606667673 479719290 /nfs/dbraw/zinc/71/92/90/479719290.db2.gz JFQKLXCBAWEJBI-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000621642166 479735925 /nfs/dbraw/zinc/73/59/25/479735925.db2.gz GRPRXADKYYJOFQ-IEBWSBKVSA-N 1 3 329.488 2.720 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606841526 479739866 /nfs/dbraw/zinc/73/98/66/479739866.db2.gz YIKKHYAIKZKIND-AZUAARDMSA-N 1 3 345.531 2.973 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606841526 479739870 /nfs/dbraw/zinc/73/98/70/479739870.db2.gz YIKKHYAIKZKIND-AZUAARDMSA-N 1 3 345.531 2.973 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000621773155 479786417 /nfs/dbraw/zinc/78/64/17/479786417.db2.gz HMRURYSNKZNIDD-XRXFAXGQSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000621773155 479786422 /nfs/dbraw/zinc/78/64/22/479786422.db2.gz HMRURYSNKZNIDD-XRXFAXGQSA-N 1 3 341.499 2.640 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@H](CCO)c2ccccc2)cc1 ZINC000607168995 479786996 /nfs/dbraw/zinc/78/69/96/479786996.db2.gz UBSPINDXTSQXTK-HXUWFJFHSA-N 1 3 328.456 2.840 20 0 EFADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000607232416 479791508 /nfs/dbraw/zinc/79/15/08/479791508.db2.gz BDCDVQSVPWVZOZ-IBGZPJMESA-N 1 3 348.535 2.561 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(C[C@]3(C)CCCS3)CC2)CC1 ZINC000628188136 479804274 /nfs/dbraw/zinc/80/42/74/479804274.db2.gz OXHMVYCLJAAONK-SFHVURJKSA-N 1 3 325.566 2.763 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612963840 479820694 /nfs/dbraw/zinc/82/06/94/479820694.db2.gz LWRYLVWFGKNIBU-ZWKOTPCHSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612971406 479823652 /nfs/dbraw/zinc/82/36/52/479823652.db2.gz OOMLNYSDEKNKFG-DOTOQJQBSA-N 1 3 344.503 2.557 20 0 EFADHO COc1cccc2c1OCCC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000631565037 480158227 /nfs/dbraw/zinc/15/82/27/480158227.db2.gz ATZFEKRKUGXTPR-GOSISDBHSA-N 1 3 347.503 2.526 20 0 EFADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000631581318 480166452 /nfs/dbraw/zinc/16/64/52/480166452.db2.gz LBCPJCAINMIJOZ-YWZLYKJASA-N 1 3 330.472 2.773 20 0 EFADHO COc1cccc2c1OCCC[C@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000631585548 480168696 /nfs/dbraw/zinc/16/86/96/480168696.db2.gz SGYROBWNISWQDC-GOSISDBHSA-N 1 3 347.503 2.525 20 0 EFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631601647 480177254 /nfs/dbraw/zinc/17/72/54/480177254.db2.gz JJTIYZPAHYPZBZ-VAMGGRTRSA-N 1 3 329.488 2.817 20 0 EFADHO CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc(CN(C)C)cc1 ZINC000626062155 480181672 /nfs/dbraw/zinc/18/16/72/480181672.db2.gz JRBKHWYHGOKLNG-KRWDZBQOSA-N 1 3 331.504 2.971 20 0 EFADHO CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc(CN(C)C)cc1 ZINC000626062155 480181677 /nfs/dbraw/zinc/18/16/77/480181677.db2.gz JRBKHWYHGOKLNG-KRWDZBQOSA-N 1 3 331.504 2.971 20 0 EFADHO CC[N@H+](CCC(=O)N1CCCCC1)Cc1ccc(CN(C)C)cc1 ZINC000626062058 480182904 /nfs/dbraw/zinc/18/29/04/480182904.db2.gz DUXJUBRXVQLURO-UHFFFAOYSA-N 1 3 331.504 2.973 20 0 EFADHO CC[N@@H+](CCC(=O)N1CCCCC1)Cc1ccc(CN(C)C)cc1 ZINC000626062058 480182908 /nfs/dbraw/zinc/18/29/08/480182908.db2.gz DUXJUBRXVQLURO-UHFFFAOYSA-N 1 3 331.504 2.973 20 0 EFADHO CN(C)C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000631660617 480203731 /nfs/dbraw/zinc/20/37/31/480203731.db2.gz SVHURIDCGNIPBW-INIZCTEOSA-N 1 3 329.410 2.992 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631667799 480206293 /nfs/dbraw/zinc/20/62/93/480206293.db2.gz SCWJQFQGKAYSMA-WSTZPKSXSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631667799 480206296 /nfs/dbraw/zinc/20/62/96/480206296.db2.gz SCWJQFQGKAYSMA-WSTZPKSXSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631667799 480206299 /nfs/dbraw/zinc/20/62/99/480206299.db2.gz SCWJQFQGKAYSMA-WSTZPKSXSA-N 1 3 345.531 2.991 20 0 EFADHO COC1([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000631664950 480206912 /nfs/dbraw/zinc/20/69/12/480206912.db2.gz SRHFDVNGQIKQLH-WSTZPKSXSA-N 1 3 346.515 2.928 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000631664621 480206937 /nfs/dbraw/zinc/20/69/37/480206937.db2.gz QNEJUMGKBMHTQF-ZHALLVOQSA-N 1 3 341.503 2.759 20 0 EFADHO CN1CC[NH+](CCCCNCc2c(F)ccc(F)c2Cl)CC1 ZINC000623356932 480249127 /nfs/dbraw/zinc/24/91/27/480249127.db2.gz PGTHYZASMNIEMN-UHFFFAOYSA-N 1 3 331.838 2.735 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCCC[C@@H](N)C1 ZINC000631832656 480291107 /nfs/dbraw/zinc/29/11/07/480291107.db2.gz KPNHEFHKLDPKNO-CQSZACIVSA-N 1 3 339.867 2.881 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCCC[C@@H](N)C1 ZINC000631832656 480291110 /nfs/dbraw/zinc/29/11/10/480291110.db2.gz KPNHEFHKLDPKNO-CQSZACIVSA-N 1 3 339.867 2.881 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000623453633 480291582 /nfs/dbraw/zinc/29/15/82/480291582.db2.gz YBHOUKSOFQWWNG-IAGOWNOFSA-N 1 3 338.879 2.816 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000623453632 480292208 /nfs/dbraw/zinc/29/22/08/480292208.db2.gz YBHOUKSOFQWWNG-DLBZAZTESA-N 1 3 338.879 2.816 20 0 EFADHO Cc1ccc2ncc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2c1 ZINC000629533430 480295886 /nfs/dbraw/zinc/29/58/86/480295886.db2.gz ZQJAOHCVSZODAB-SFHVURJKSA-N 1 3 325.456 2.731 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629531964 480296920 /nfs/dbraw/zinc/29/69/20/480296920.db2.gz FZSLZWMNVWZTOJ-SMDDNHRTSA-N 1 3 327.831 2.692 20 0 EFADHO O=C1[C@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCCCC1 ZINC000629548777 480300983 /nfs/dbraw/zinc/30/09/83/480300983.db2.gz YCGQYOGWKCVUCD-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000634456490 480307833 /nfs/dbraw/zinc/30/78/33/480307833.db2.gz DQQLLDYTRKUTAB-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO O[C@H](CNCCn1c2ccccc2c2ccccc21)C[NH+]1CCCC1 ZINC000629576316 480314618 /nfs/dbraw/zinc/31/46/18/480314618.db2.gz XTSXRPDVOWQPPY-QGZVFWFLSA-N 1 3 337.467 2.841 20 0 EFADHO O[C@H](CNCC1(O)CCC(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000629582923 480315237 /nfs/dbraw/zinc/31/52/37/480315237.db2.gz JSJGRKMNCDIECT-NYLDSWQDSA-N 1 3 346.515 2.512 20 0 EFADHO c1ccc2c(CCN3CCC(CO[C@H]4CC[NH2+]C4)CC3)nsc2c1 ZINC000629591867 480321577 /nfs/dbraw/zinc/32/15/77/480321577.db2.gz PPGDAEJBZOXOIP-INIZCTEOSA-N 1 3 345.512 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103385 480334570 /nfs/dbraw/zinc/33/45/70/480334570.db2.gz AUNXGVCXKXVICF-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103385 480334575 /nfs/dbraw/zinc/33/45/75/480334575.db2.gz AUNXGVCXKXVICF-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000629648062 480342849 /nfs/dbraw/zinc/34/28/49/480342849.db2.gz GEPKKRIVUKBEIT-AZUAARDMSA-N 1 3 328.456 2.681 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2CC2=Cc3ccccc3OC2)C1 ZINC000629649846 480343880 /nfs/dbraw/zinc/34/38/80/480343880.db2.gz IAUORWZGUSNDKW-HBFSDRIKSA-N 1 3 328.456 2.823 20 0 EFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1csc(C(F)(F)F)c1 ZINC000623576400 480347122 /nfs/dbraw/zinc/34/71/22/480347122.db2.gz VNQNMGYZVUIXIQ-UHFFFAOYSA-N 1 3 335.439 2.836 20 0 EFADHO CN(CCOCC[NH3+])Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000629664736 480350189 /nfs/dbraw/zinc/35/01/89/480350189.db2.gz QKGRBZLDSYRGTQ-UHFFFAOYSA-N 1 3 332.419 2.812 20 0 EFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cn1 ZINC000629702615 480363129 /nfs/dbraw/zinc/36/31/29/480363129.db2.gz QNDXEWDLIBIPDS-OAHLLOKOSA-N 1 3 338.455 2.891 20 0 EFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H]3C)c2)cn1 ZINC000629702615 480363132 /nfs/dbraw/zinc/36/31/32/480363132.db2.gz QNDXEWDLIBIPDS-OAHLLOKOSA-N 1 3 338.455 2.891 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000644422157 480384885 /nfs/dbraw/zinc/38/48/85/480384885.db2.gz LFTQDEUWIHIXOU-GDBMZVCRSA-N 1 3 346.393 2.563 20 0 EFADHO CC1(C)CC(NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000634637227 480386470 /nfs/dbraw/zinc/38/64/70/480386470.db2.gz QUGAQOHUWYZZHG-NRFANRHFSA-N 1 3 345.531 2.522 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635483216 480413056 /nfs/dbraw/zinc/41/30/56/480413056.db2.gz ROJSIIXMEKIQNI-UHFFFAOYSA-N 1 3 343.515 2.973 20 0 EFADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000644527100 480417440 /nfs/dbraw/zinc/41/74/40/480417440.db2.gz ZICHMNOCNKVBAH-ICSRJNTNSA-N 1 3 347.547 2.579 20 0 EFADHO COCCc1ncc(CN2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000637958909 480417482 /nfs/dbraw/zinc/41/74/82/480417482.db2.gz WDXMBZNQRXQNAA-UHFFFAOYSA-N 1 3 325.522 2.884 20 0 EFADHO COCCc1ncc(CN2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000637958909 480417488 /nfs/dbraw/zinc/41/74/88/480417488.db2.gz WDXMBZNQRXQNAA-UHFFFAOYSA-N 1 3 325.522 2.884 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644535499 480422701 /nfs/dbraw/zinc/42/27/01/480422701.db2.gz FCYZPEWWTBPLLM-IAQYHMDHSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644535499 480422708 /nfs/dbraw/zinc/42/27/08/480422708.db2.gz FCYZPEWWTBPLLM-IAQYHMDHSA-N 1 3 331.287 2.969 20 0 EFADHO Cn1nccc1CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000634688006 480431151 /nfs/dbraw/zinc/43/11/51/480431151.db2.gz FIAVOHNPPUREAA-QUCCMNQESA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000634688006 480431158 /nfs/dbraw/zinc/43/11/58/480431158.db2.gz FIAVOHNPPUREAA-QUCCMNQESA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000634688006 480431163 /nfs/dbraw/zinc/43/11/63/480431163.db2.gz FIAVOHNPPUREAA-QUCCMNQESA-N 1 3 326.488 2.635 20 0 EFADHO O[C@]1(CN[C@H]2C[C@@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701909 480441946 /nfs/dbraw/zinc/44/19/46/480441946.db2.gz XTMUHZMTRYONFK-HKBOAZHASA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@H]2C[C@@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701909 480441951 /nfs/dbraw/zinc/44/19/51/480441951.db2.gz XTMUHZMTRYONFK-HKBOAZHASA-N 1 3 340.442 2.908 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C1CCC1)Cc1ccccc1 ZINC000629947963 480465860 /nfs/dbraw/zinc/46/58/60/480465860.db2.gz ZKMSCVWPKIGVKS-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000634724516 480467659 /nfs/dbraw/zinc/46/76/59/480467659.db2.gz RPUNZAWYGNJOLP-FVQBIDKESA-N 1 3 330.394 2.657 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000644613258 480473399 /nfs/dbraw/zinc/47/33/99/480473399.db2.gz MVPPHFDIBVLVGY-HXUWFJFHSA-N 1 3 343.446 2.630 20 0 EFADHO CCOCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000644619682 480478823 /nfs/dbraw/zinc/47/88/23/480478823.db2.gz WSQCLKGPHBYJOS-XSDIEEQYSA-N 1 3 346.515 2.664 20 0 EFADHO Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1OCCN1CCCC1 ZINC000635583501 480480400 /nfs/dbraw/zinc/48/04/00/480480400.db2.gz RZQDJPSLZGUYNQ-UHFFFAOYSA-N 1 3 345.487 2.750 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)C1CCC1 ZINC000629967374 480481090 /nfs/dbraw/zinc/48/10/90/480481090.db2.gz MOAAYPRJLTVDEI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)C1CCC1 ZINC000629967374 480481093 /nfs/dbraw/zinc/48/10/93/480481093.db2.gz MOAAYPRJLTVDEI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C1CCC1 ZINC000629972653 480484068 /nfs/dbraw/zinc/48/40/68/480484068.db2.gz CBGIAQZECKJKSC-UHFFFAOYSA-N 1 3 337.895 2.715 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635589560 480484582 /nfs/dbraw/zinc/48/45/82/480484582.db2.gz QCDISDFBBIFDBF-MJGOQNOKSA-N 1 3 343.515 2.840 20 0 EFADHO COc1cc(CCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000621391863 480494689 /nfs/dbraw/zinc/49/46/89/480494689.db2.gz WWHJSRWSWMHQSW-CVEARBPZSA-N 1 3 334.460 2.558 20 0 EFADHO COc1cc(CCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000621391863 480494700 /nfs/dbraw/zinc/49/47/00/480494700.db2.gz WWHJSRWSWMHQSW-CVEARBPZSA-N 1 3 334.460 2.558 20 0 EFADHO CCOCC[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000644651563 480498328 /nfs/dbraw/zinc/49/83/28/480498328.db2.gz ZLUKEAIACWVPOZ-VQTJNVASSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000644651563 480498330 /nfs/dbraw/zinc/49/83/30/480498330.db2.gz ZLUKEAIACWVPOZ-VQTJNVASSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651563 480498340 /nfs/dbraw/zinc/49/83/40/480498340.db2.gz ZLUKEAIACWVPOZ-VQTJNVASSA-N 1 3 334.504 2.666 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629992670 480499934 /nfs/dbraw/zinc/49/99/34/480499934.db2.gz AFYUYEQTPWRHMO-LJQANCHMSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@H+](C)C2CCC2)N(C)C)cc1 ZINC000629992670 480499943 /nfs/dbraw/zinc/49/99/43/480499943.db2.gz AFYUYEQTPWRHMO-LJQANCHMSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@@H+](C)C2CCC2)N(C)C)cc1 ZINC000629992670 480499955 /nfs/dbraw/zinc/49/99/55/480499955.db2.gz AFYUYEQTPWRHMO-LJQANCHMSA-N 1 3 347.503 2.677 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000634760424 480503490 /nfs/dbraw/zinc/50/34/90/480503490.db2.gz DLWCLXPVRNQKIV-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CCC(C)C)CC1 ZINC000638063296 480504856 /nfs/dbraw/zinc/50/48/56/480504856.db2.gz LCAHRVTWGFPNCF-IBGZPJMESA-N 1 3 331.504 2.839 20 0 EFADHO CO[C@H]1CN[C@@](C)(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000638064786 480505689 /nfs/dbraw/zinc/50/56/89/480505689.db2.gz WXUNHCGFGKJULE-UYAOXDASSA-N 1 3 345.487 2.624 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638079694 480518185 /nfs/dbraw/zinc/51/81/85/480518185.db2.gz GXRNOTZZHQEUIS-MOPGFXCFSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638079694 480518192 /nfs/dbraw/zinc/51/81/92/480518192.db2.gz GXRNOTZZHQEUIS-MOPGFXCFSA-N 1 3 331.504 2.778 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000638087562 480523800 /nfs/dbraw/zinc/52/38/00/480523800.db2.gz TXBDCMCDQVKWFV-ICSRJNTNSA-N 1 3 345.487 2.768 20 0 EFADHO COc1cc2nccc(N[C@@H](C)C3CC[NH+](C)CC3)c2cc1OC ZINC000623969816 480547805 /nfs/dbraw/zinc/54/78/05/480547805.db2.gz UVDWWYZMNHEUEK-ZDUSSCGKSA-N 1 3 329.444 2.816 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1Cc1ccccc1 ZINC000635674188 480553409 /nfs/dbraw/zinc/55/34/09/480553409.db2.gz BLEQNKHMOHNADY-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1Cc1ccccc1 ZINC000635674185 480554289 /nfs/dbraw/zinc/55/42/89/480554289.db2.gz BLEQNKHMOHNADY-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1CN(Cc2cccc3ncccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638136880 480559958 /nfs/dbraw/zinc/55/99/58/480559958.db2.gz CDIPSVJGBYEXLR-DYESRHJHSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@@H]1N1CCN(C)CC1 ZINC000638137923 480561816 /nfs/dbraw/zinc/56/18/16/480561816.db2.gz QSYZLHPQJHYIKR-XLIONFOSSA-N 1 3 340.515 2.636 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@@H]1N1CCN(C)CC1 ZINC000638137923 480561821 /nfs/dbraw/zinc/56/18/21/480561821.db2.gz QSYZLHPQJHYIKR-XLIONFOSSA-N 1 3 340.515 2.636 20 0 EFADHO CO[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176920 480583143 /nfs/dbraw/zinc/58/31/43/480583143.db2.gz IEPDWMVGJMZBSC-HBMCJLEFSA-N 1 3 344.499 2.778 20 0 EFADHO CO[C@]1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176920 480583149 /nfs/dbraw/zinc/58/31/49/480583149.db2.gz IEPDWMVGJMZBSC-HBMCJLEFSA-N 1 3 344.499 2.778 20 0 EFADHO CC(C)[C@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1(CO)CCC1 ZINC000644835344 480603576 /nfs/dbraw/zinc/60/35/76/480603576.db2.gz YTIXVHVUTXWNPJ-IBGZPJMESA-N 1 3 334.504 2.904 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCOC[C@H](C3CCC3)C2)cc1 ZINC000644842973 480606692 /nfs/dbraw/zinc/60/66/92/480606692.db2.gz CBAUUKZEZIFDFZ-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635780738 480626907 /nfs/dbraw/zinc/62/69/07/480626907.db2.gz SJKQFKYICYNITC-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635780738 480626911 /nfs/dbraw/zinc/62/69/11/480626911.db2.gz SJKQFKYICYNITC-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000638278550 480640224 /nfs/dbraw/zinc/64/02/24/480640224.db2.gz ILKDGYISZMURTP-FQEVSTJZSA-N 1 3 345.531 2.648 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310097 480659495 /nfs/dbraw/zinc/65/94/95/480659495.db2.gz WABZSABXCPHNCD-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310097 480659496 /nfs/dbraw/zinc/65/94/96/480659496.db2.gz WABZSABXCPHNCD-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@H]([NH3+])CCC(C)C)cc1 ZINC000638315118 480662303 /nfs/dbraw/zinc/66/23/03/480662303.db2.gz LYWXLUVXSJJYAK-RTBURBONSA-N 1 3 347.503 2.712 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC000635851107 480665938 /nfs/dbraw/zinc/66/59/38/480665938.db2.gz QMCUUYDMBRZHHU-HKUYNNGSSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000635000338 480682155 /nfs/dbraw/zinc/68/21/55/480682155.db2.gz MKRYLOGROBUCTR-CQSZACIVSA-N 1 3 339.365 2.511 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000635000338 480682161 /nfs/dbraw/zinc/68/21/61/480682161.db2.gz MKRYLOGROBUCTR-CQSZACIVSA-N 1 3 339.365 2.511 20 0 EFADHO COc1cccc2c1CCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008830 480685236 /nfs/dbraw/zinc/68/52/36/480685236.db2.gz KVNCTIMSZFRQCM-GOSISDBHSA-N 1 3 338.455 2.989 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCOC1 ZINC000638364230 480685302 /nfs/dbraw/zinc/68/53/02/480685302.db2.gz XUESGXYVUQYOAX-FXAWDEMLSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCOC1 ZINC000638364230 480685310 /nfs/dbraw/zinc/68/53/10/480685310.db2.gz XUESGXYVUQYOAX-FXAWDEMLSA-N 1 3 332.488 2.814 20 0 EFADHO Cc1noc(C2CCC([NH2+]Cc3cccc4c3CCNC4)CC2)n1 ZINC000635010461 480686063 /nfs/dbraw/zinc/68/60/63/480686063.db2.gz LUEBCMLQHPXFEH-UHFFFAOYSA-N 1 3 326.444 2.840 20 0 EFADHO CC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635010947 480686310 /nfs/dbraw/zinc/68/63/10/480686310.db2.gz WSYPDYNKZBSYFN-GOSISDBHSA-N 1 3 338.455 2.989 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2C1 ZINC000635010143 480686382 /nfs/dbraw/zinc/68/63/82/480686382.db2.gz IXUKQYQIZBPMBS-IEBWSBKVSA-N 1 3 329.488 2.848 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC000638365391 480686649 /nfs/dbraw/zinc/68/66/49/480686649.db2.gz BBIYRPVDNUXTSC-PXNSSMCTSA-N 1 3 332.488 2.814 20 0 EFADHO COc1ncc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1Cl ZINC000635011038 480686725 /nfs/dbraw/zinc/68/67/25/480686725.db2.gz LYYLYCMIDQLAJU-GFCCVEGCSA-N 1 3 347.850 2.721 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC000638365391 480686655 /nfs/dbraw/zinc/68/66/55/480686655.db2.gz BBIYRPVDNUXTSC-PXNSSMCTSA-N 1 3 332.488 2.814 20 0 EFADHO Cc1c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cnn1C(C)C ZINC000635011171 480686769 /nfs/dbraw/zinc/68/67/69/480686769.db2.gz YBVWQJUPBWHTGP-AWEZNQCLSA-N 1 3 328.464 2.750 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000635010885 480686818 /nfs/dbraw/zinc/68/68/18/480686818.db2.gz WLQDXVINHKGJPI-INIZCTEOSA-N 1 3 348.454 2.850 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1N(C)C ZINC000635009206 480687217 /nfs/dbraw/zinc/68/72/17/480687217.db2.gz MJXNLJCCYCHXQG-AWEZNQCLSA-N 1 3 343.450 2.869 20 0 EFADHO c1ccc(N2CCC(Nc3cc(N4CCNCC4)cc[nH+]3)CC2)cc1 ZINC000635010860 480687512 /nfs/dbraw/zinc/68/75/12/480687512.db2.gz WIQNRFHBBZMIFF-UHFFFAOYSA-N 1 3 337.471 2.572 20 0 EFADHO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000635013305 480689099 /nfs/dbraw/zinc/68/90/99/480689099.db2.gz XUTZWALGWPGNRI-SJLPKXTDSA-N 1 3 331.504 2.952 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)ccn1 ZINC000638381998 480697261 /nfs/dbraw/zinc/69/72/61/480697261.db2.gz PYVSVMQXSZDRPT-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO CO[C@@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000638385593 480699062 /nfs/dbraw/zinc/69/90/62/480699062.db2.gz FWDDXGZPYRRFMZ-FQEVSTJZSA-N 1 3 331.504 2.603 20 0 EFADHO CO[C@H](C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000638385597 480699593 /nfs/dbraw/zinc/69/95/93/480699593.db2.gz FWDDXGZPYRRFMZ-HXUWFJFHSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645165404 480725509 /nfs/dbraw/zinc/72/55/09/480725509.db2.gz LVMZVJCTHRRIIC-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCN(C)C1 ZINC000645165404 480725517 /nfs/dbraw/zinc/72/55/17/480725517.db2.gz LVMZVJCTHRRIIC-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645165672 480726098 /nfs/dbraw/zinc/72/60/98/480726098.db2.gz OICOIEVIVFYQPU-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645165672 480726103 /nfs/dbraw/zinc/72/61/03/480726103.db2.gz OICOIEVIVFYQPU-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CO[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)[C@H]1CCOC1 ZINC000638453904 480734392 /nfs/dbraw/zinc/73/43/92/480734392.db2.gz BBAGVBKYTJQVCM-FUHWJXTLSA-N 1 3 338.517 2.601 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000632845329 480752208 /nfs/dbraw/zinc/75/22/08/480752208.db2.gz FHLXHBVLCYEAJY-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO O[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)COCC1CC1 ZINC000638495928 480753509 /nfs/dbraw/zinc/75/35/09/480753509.db2.gz NWVHEXDIHALCCP-NRSPTQNISA-N 1 3 344.499 2.732 20 0 EFADHO O[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)COCC1CC1 ZINC000638495928 480753516 /nfs/dbraw/zinc/75/35/16/480753516.db2.gz NWVHEXDIHALCCP-NRSPTQNISA-N 1 3 344.499 2.732 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638565823 480783030 /nfs/dbraw/zinc/78/30/30/480783030.db2.gz XLUQPXPJYAXYDU-FXAWDEMLSA-N 1 3 345.531 2.647 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638565823 480783038 /nfs/dbraw/zinc/78/30/38/480783038.db2.gz XLUQPXPJYAXYDU-FXAWDEMLSA-N 1 3 345.531 2.647 20 0 EFADHO C[NH2+]CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000645331396 480798626 /nfs/dbraw/zinc/79/86/26/480798626.db2.gz BPQZECJJNPHCOK-UHFFFAOYSA-N 1 3 325.456 2.641 20 0 EFADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624546956 480811359 /nfs/dbraw/zinc/81/13/59/480811359.db2.gz NQOVTZKUSPDNSN-OTWHNJEPSA-N 1 3 348.535 2.662 20 0 EFADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624546956 480811360 /nfs/dbraw/zinc/81/13/60/480811360.db2.gz NQOVTZKUSPDNSN-OTWHNJEPSA-N 1 3 348.535 2.662 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000632958204 480822561 /nfs/dbraw/zinc/82/25/61/480822561.db2.gz QQJPRSDRVNJWBL-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)N1CCCCC1 ZINC000638672235 480823231 /nfs/dbraw/zinc/82/32/31/480823231.db2.gz TYKKZOGILBBCCA-SFHVURJKSA-N 1 3 331.460 2.618 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632994701 480839291 /nfs/dbraw/zinc/83/92/91/480839291.db2.gz DPXREHZHRFYXGA-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000638720600 480841471 /nfs/dbraw/zinc/84/14/71/480841471.db2.gz SZGBYQBZCSRGNY-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638745816 480850202 /nfs/dbraw/zinc/85/02/02/480850202.db2.gz BEFXZXAYTUNJDD-WSTZPKSXSA-N 1 3 341.499 2.955 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000638745816 480850207 /nfs/dbraw/zinc/85/02/07/480850207.db2.gz BEFXZXAYTUNJDD-WSTZPKSXSA-N 1 3 341.499 2.955 20 0 EFADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)Cc1ccccc1 ZINC000638749705 480851854 /nfs/dbraw/zinc/85/18/54/480851854.db2.gz LLZHXEILHOMTOS-PCCBWWKXSA-N 1 3 346.515 2.602 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000645472846 480857021 /nfs/dbraw/zinc/85/70/21/480857021.db2.gz JOOFUCHYNADPNG-PKOBYXMFSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635412288 480862940 /nfs/dbraw/zinc/86/29/40/480862940.db2.gz QHFCJZCWISMPNO-PKOBYXMFSA-N 1 3 341.499 2.814 20 0 EFADHO CCN1CCC(NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000633074102 480871612 /nfs/dbraw/zinc/87/16/12/480871612.db2.gz IKUGWYVSWGDJFB-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]C[C@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC000638809607 480878577 /nfs/dbraw/zinc/87/85/77/480878577.db2.gz SWYUHXOGGUMRKM-LEWJYISDSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638809607 480878584 /nfs/dbraw/zinc/87/85/84/480878584.db2.gz SWYUHXOGGUMRKM-LEWJYISDSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638809607 480878592 /nfs/dbraw/zinc/87/85/92/480878592.db2.gz SWYUHXOGGUMRKM-LEWJYISDSA-N 1 3 346.515 2.666 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645526107 480880885 /nfs/dbraw/zinc/88/08/85/480880885.db2.gz DLPAQWBARNNYAA-FCEWJHQRSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645526107 480880887 /nfs/dbraw/zinc/88/08/87/480880887.db2.gz DLPAQWBARNNYAA-FCEWJHQRSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000645545873 480887334 /nfs/dbraw/zinc/88/73/34/480887334.db2.gz XIRBCSCPZLQOHO-HZPDHXFCSA-N 1 3 329.488 2.662 20 0 EFADHO COC[C@H](O)CC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638829586 480887578 /nfs/dbraw/zinc/88/75/78/480887578.db2.gz LRSWGTJKCDIMQM-TZIWHRDSSA-N 1 3 348.531 2.912 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@]12CCCO2 ZINC000638836998 480890227 /nfs/dbraw/zinc/89/02/27/480890227.db2.gz NLCZDGMTNHAEKZ-XUVXKRRUSA-N 1 3 345.487 2.614 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850327 480895342 /nfs/dbraw/zinc/89/53/42/480895342.db2.gz DGJSNIRKNAUZJL-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000638852279 480897068 /nfs/dbraw/zinc/89/70/68/480897068.db2.gz WZGUERCZQXHUSW-OALUTQOASA-N 1 3 327.472 2.595 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638854493 480897953 /nfs/dbraw/zinc/89/79/53/480897953.db2.gz VTPQLQNNYMSECG-QZTJIDSGSA-N 1 3 337.552 2.730 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638854941 480898786 /nfs/dbraw/zinc/89/87/86/480898786.db2.gz YHYFAPVNTJBJJD-UHFFFAOYSA-N 1 3 348.441 2.630 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000638861290 480900442 /nfs/dbraw/zinc/90/04/42/480900442.db2.gz SQEYOEFYDGWPOX-SFHVURJKSA-N 1 3 327.472 2.698 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000638862298 480901538 /nfs/dbraw/zinc/90/15/38/480901538.db2.gz RFGWQOAVRTZPOW-UHFFFAOYSA-N 1 3 341.499 2.813 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H](N)c2ccccc2)CC1 ZINC000638862372 480901591 /nfs/dbraw/zinc/90/15/91/480901591.db2.gz UHHJWNKQPGQQSN-SFHVURJKSA-N 1 3 329.488 2.944 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000638862371 480901759 /nfs/dbraw/zinc/90/17/59/480901759.db2.gz UHHJWNKQPGQQSN-GOSISDBHSA-N 1 3 329.488 2.944 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000638862595 480901803 /nfs/dbraw/zinc/90/18/03/480901803.db2.gz WUBZHTIVZWGWHE-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCN3CCSCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638866642 480903006 /nfs/dbraw/zinc/90/30/06/480903006.db2.gz LRFSNERZCUTAIJ-QUCCMNQESA-N 1 3 345.556 2.993 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCN3CCSCC3)CC[N@H+]2C2CC2)cc1 ZINC000638866642 480903008 /nfs/dbraw/zinc/90/30/08/480903008.db2.gz LRFSNERZCUTAIJ-QUCCMNQESA-N 1 3 345.556 2.993 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(OC)c(O)cc1Cl ZINC000638876172 480905018 /nfs/dbraw/zinc/90/50/18/480905018.db2.gz DRQKDTPVJVKESH-ZDUSSCGKSA-N 1 3 330.856 2.501 20 0 EFADHO Cn1c(CNCc2ccnc(OCC[NH+](C)C)c2)cc2ccccc21 ZINC000638899850 480910760 /nfs/dbraw/zinc/91/07/60/480910760.db2.gz CWNUJGZWQWHTNG-UHFFFAOYSA-N 1 3 338.455 2.804 20 0 EFADHO Cc1nc(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000638950013 480919360 /nfs/dbraw/zinc/91/93/60/480919360.db2.gz LZEDBVCJIDEVDJ-FUHWJXTLSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1nnc(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)[nH]1 ZINC000638950013 480919363 /nfs/dbraw/zinc/91/93/63/480919363.db2.gz LZEDBVCJIDEVDJ-FUHWJXTLSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000639006328 480929040 /nfs/dbraw/zinc/92/90/40/480929040.db2.gz VVTZUEAIDLLJGD-XLIONFOSSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000645786932 480931293 /nfs/dbraw/zinc/93/12/93/480931293.db2.gz LDCCCDYKBATSCR-ZJOUEHCJSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000645786933 480931323 /nfs/dbraw/zinc/93/13/23/480931323.db2.gz LDCCCDYKBATSCR-ZVDOUQERSA-N 1 3 343.515 2.922 20 0 EFADHO CCCCN1CCCC[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645824370 480938496 /nfs/dbraw/zinc/93/84/96/480938496.db2.gz ZXUBYMQZEMEAMC-GOSISDBHSA-N 1 3 346.519 2.797 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC[N@@H+]1C ZINC000639080608 480945481 /nfs/dbraw/zinc/94/54/81/480945481.db2.gz ZWIRLSOSCDVTJW-QXSJWSMHSA-N 1 3 325.497 2.733 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)CN2Cc2cccs2)CC[N@H+]1C ZINC000639080608 480945482 /nfs/dbraw/zinc/94/54/82/480945482.db2.gz ZWIRLSOSCDVTJW-QXSJWSMHSA-N 1 3 325.497 2.733 20 0 EFADHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)ccc1Oc1cccnc1 ZINC000647492946 480963259 /nfs/dbraw/zinc/96/32/59/480963259.db2.gz JZPDOXSJJLLVMW-UHFFFAOYSA-N 1 3 340.471 2.519 20 0 EFADHO CN(C)CCOc1ccc(CN(CC[NH3+])Cc2ccccc2)cc1 ZINC000647512938 480972586 /nfs/dbraw/zinc/97/25/86/480972586.db2.gz UOODGOBEWXQEPI-UHFFFAOYSA-N 1 3 327.472 2.588 20 0 EFADHO CO[C@@]1(CO)CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000661386816 480978126 /nfs/dbraw/zinc/97/81/26/480978126.db2.gz FCBNDYPUMIOFQM-FQEVSTJZSA-N 1 3 332.488 2.646 20 0 EFADHO CN(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666613961 480985256 /nfs/dbraw/zinc/98/52/56/480985256.db2.gz LVTZVCWHFUCBFJ-LBPRGKRZSA-N 1 3 344.286 2.623 20 0 EFADHO Nc1ncc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000647532567 480985871 /nfs/dbraw/zinc/98/58/71/480985871.db2.gz DDGGQWMLAQLMIN-WBVHZDCISA-N 1 3 330.501 2.897 20 0 EFADHO CC1(C)CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1CCO ZINC000664043664 480989164 /nfs/dbraw/zinc/98/91/64/480989164.db2.gz GTBGOJXSUMKUBU-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543375 480993110 /nfs/dbraw/zinc/99/31/10/480993110.db2.gz LZAVGHQYVBAECC-IRXDYDNUSA-N 1 3 347.551 2.821 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543318 480994014 /nfs/dbraw/zinc/99/40/14/480994014.db2.gz KYHOVNIQMZCRSX-HOTGVXAUSA-N 1 3 348.487 2.924 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000647547960 480995091 /nfs/dbraw/zinc/99/50/91/480995091.db2.gz OFMYKEMDEQVAPE-IPMKNSEASA-N 1 3 342.531 2.937 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c(C)c2)CC1 ZINC000647547958 480995113 /nfs/dbraw/zinc/99/51/13/480995113.db2.gz OFMYKEMDEQVAPE-GBESFXJTSA-N 1 3 342.531 2.937 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639171728 481017964 /nfs/dbraw/zinc/01/79/64/481017964.db2.gz YCWAYXHFSCMCRZ-WMZOPIPTSA-N 1 3 333.524 2.502 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639171728 481017967 /nfs/dbraw/zinc/01/79/67/481017967.db2.gz YCWAYXHFSCMCRZ-WMZOPIPTSA-N 1 3 333.524 2.502 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639171716 481017989 /nfs/dbraw/zinc/01/79/89/481017989.db2.gz YCWAYXHFSCMCRZ-AEFFLSMTSA-N 1 3 333.524 2.502 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)[C@H](C)c1cnc(C)nc1C ZINC000639171716 481017991 /nfs/dbraw/zinc/01/79/91/481017991.db2.gz YCWAYXHFSCMCRZ-AEFFLSMTSA-N 1 3 333.524 2.502 20 0 EFADHO CN(CC(C)(C)Oc1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000639172837 481018227 /nfs/dbraw/zinc/01/82/27/481018227.db2.gz PKBZLIBAFHCQBN-LJQANCHMSA-N 1 3 345.531 2.944 20 0 EFADHO CN(CC(C)(C)Oc1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000639172837 481018232 /nfs/dbraw/zinc/01/82/32/481018232.db2.gz PKBZLIBAFHCQBN-LJQANCHMSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665446 481022058 /nfs/dbraw/zinc/02/20/58/481022058.db2.gz DJYJQXWDNYICMX-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665446 481022063 /nfs/dbraw/zinc/02/20/63/481022063.db2.gz DJYJQXWDNYICMX-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641709289 481023685 /nfs/dbraw/zinc/02/36/85/481023685.db2.gz AJKPFMFNRSBACJ-SFHVURJKSA-N 1 3 333.520 2.714 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000664110382 481026763 /nfs/dbraw/zinc/02/67/63/481026763.db2.gz WHVVCBISFHZVBJ-FUHWJXTLSA-N 1 3 346.519 2.899 20 0 EFADHO CC[C@@]1(CNC2CC[NH+](CC(C)(C)O)CC2)OCCc2ccccc21 ZINC000639187916 481030236 /nfs/dbraw/zinc/03/02/36/481030236.db2.gz GVAIKGKZDHBXJG-NRFANRHFSA-N 1 3 346.515 2.690 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000666758048 481082763 /nfs/dbraw/zinc/08/27/63/481082763.db2.gz JBBPNSSBSACFPG-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C[C@H]1C ZINC000666758511 481083524 /nfs/dbraw/zinc/08/35/24/481083524.db2.gz UDLGKJGZKMHLQX-KURKYZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C[C@H]1C ZINC000666758511 481083535 /nfs/dbraw/zinc/08/35/35/481083535.db2.gz UDLGKJGZKMHLQX-KURKYZTESA-N 1 3 338.540 2.621 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000666759311 481084339 /nfs/dbraw/zinc/08/43/39/481084339.db2.gz DPNXJWBLURZXGK-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000666760702 481086259 /nfs/dbraw/zinc/08/62/59/481086259.db2.gz NDJTZMDORMVAOX-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000666760702 481086269 /nfs/dbraw/zinc/08/62/69/481086269.db2.gz NDJTZMDORMVAOX-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC1(C)[C@H]([NH2+]CCOc2cc(F)cc(Br)c2)C[C@@H]1N ZINC000641801179 481087841 /nfs/dbraw/zinc/08/78/41/481087841.db2.gz AWBCGIVYRIZTLQ-QWHCGFSZSA-N 1 3 331.229 2.682 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113818 481088044 /nfs/dbraw/zinc/08/80/44/481088044.db2.gz ONSRWJOAMIISNB-QGTPRVQTSA-N 1 3 347.528 2.607 20 0 EFADHO CC[NH+]1CCC(N2CCCN([C@H](C)c3cnc(C)nc3C)CC2)CC1 ZINC000639275913 481088944 /nfs/dbraw/zinc/08/89/44/481088944.db2.gz KEEMPAYPSHZASZ-QGZVFWFLSA-N 1 3 345.535 2.646 20 0 EFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653114850 481088913 /nfs/dbraw/zinc/08/89/13/481088913.db2.gz YTWZCSYNMHKCKY-KRWDZBQOSA-N 1 3 347.528 2.606 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113819 481089028 /nfs/dbraw/zinc/08/90/28/481089028.db2.gz ONSRWJOAMIISNB-WBAXXEDZSA-N 1 3 347.528 2.607 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113817 481089118 /nfs/dbraw/zinc/08/91/18/481089118.db2.gz ONSRWJOAMIISNB-JCGIZDLHSA-N 1 3 347.528 2.607 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653123491 481093436 /nfs/dbraw/zinc/09/34/36/481093436.db2.gz ZXKWOVSBMIOGIL-VQTJNVASSA-N 1 3 343.515 2.747 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646106381 481093727 /nfs/dbraw/zinc/09/37/27/481093727.db2.gz WPKFHDPOKZFYTP-MSOLQXFVSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000641812782 481097041 /nfs/dbraw/zinc/09/70/41/481097041.db2.gz SFHWUCZANUQTMY-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647791643 481108280 /nfs/dbraw/zinc/10/82/80/481108280.db2.gz JQLGCZGAAASHAI-YRGRVCCFSA-N 1 3 339.277 2.935 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647790243 481108668 /nfs/dbraw/zinc/10/86/68/481108668.db2.gz VBXDUXQTXNOTNF-IRFCIJBXSA-N 1 3 342.531 2.624 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420458 481109410 /nfs/dbraw/zinc/10/94/10/481109410.db2.gz MLEBTASRGSKNTK-RBUKOAKNSA-N 1 3 346.519 2.715 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420859 481109802 /nfs/dbraw/zinc/10/98/02/481109802.db2.gz YGQXQAYSAIRIBE-HKUYNNGSSA-N 1 3 346.519 2.715 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000646138145 481115874 /nfs/dbraw/zinc/11/58/74/481115874.db2.gz CWWGCVPVOKWNMG-MSOLQXFVSA-N 1 3 345.874 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)N2CCCC2)cc1 ZINC000669427570 481118806 /nfs/dbraw/zinc/11/88/06/481118806.db2.gz YZZILXSRRPBUGE-SCTDSRPQSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)N2CCCC2)cc1 ZINC000669427567 481118872 /nfs/dbraw/zinc/11/88/72/481118872.db2.gz YZZILXSRRPBUGE-AOIWGVFYSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647831026 481129684 /nfs/dbraw/zinc/12/96/84/481129684.db2.gz FNCZZNYFZRKGMP-AYBZRNKSSA-N 1 3 347.478 2.589 20 0 EFADHO COc1cc(C)c([C@H](C)[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1C ZINC000639331703 481133724 /nfs/dbraw/zinc/13/37/24/481133724.db2.gz XZOROFXOHMPPPR-FUHWJXTLSA-N 1 3 332.488 2.904 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646188822 481147204 /nfs/dbraw/zinc/14/72/04/481147204.db2.gz OGLHOTLLSXCPAM-XYJFISCASA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CCOCC[NH3+] ZINC000647874369 481149485 /nfs/dbraw/zinc/14/94/85/481149485.db2.gz OCTQKQYNIHGQOU-MRXNPFEDSA-N 1 3 341.455 2.907 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[NH2+]1 ZINC000669483655 481150055 /nfs/dbraw/zinc/15/00/55/481150055.db2.gz GENMTHOHOCRGKX-NZSAHSFTSA-N 1 3 344.503 2.653 20 0 EFADHO O=C(c1ccccc1F)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647874859 481152221 /nfs/dbraw/zinc/15/22/21/481152221.db2.gz FMRALWBGVHLGCR-UHFFFAOYSA-N 1 3 347.478 2.753 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000666857966 481152213 /nfs/dbraw/zinc/15/22/13/481152213.db2.gz RHSZLMHWFHFKSZ-HOCLYGCPSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCC[NH2+]CC1 ZINC000666857967 481152226 /nfs/dbraw/zinc/15/22/26/481152226.db2.gz RHSZLMHWFHFKSZ-ZBFHGGJFSA-N 1 3 337.895 2.809 20 0 EFADHO O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483998 481152265 /nfs/dbraw/zinc/15/22/65/481152265.db2.gz XUYYGAATIYLSIZ-RBUKOAKNSA-N 1 3 344.503 2.655 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000669483755 481152559 /nfs/dbraw/zinc/15/25/59/481152559.db2.gz LEZXSEGHZRKLAH-OALUTQOASA-N 1 3 344.503 2.655 20 0 EFADHO CC1(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000669483965 481152572 /nfs/dbraw/zinc/15/25/72/481152572.db2.gz VXISRXVEAJMAGY-SFHVURJKSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483740 481152885 /nfs/dbraw/zinc/15/28/85/481152885.db2.gz KNEMDPKJOVUCOM-ZHALLVOQSA-N 1 3 344.503 2.592 20 0 EFADHO [NH3+]CC1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483894 481153038 /nfs/dbraw/zinc/15/30/38/481153038.db2.gz RBJWMWXNXCNSKY-IBGZPJMESA-N 1 3 344.503 2.594 20 0 EFADHO O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483857 481153144 /nfs/dbraw/zinc/15/31/44/481153144.db2.gz PPXYRUYRRKPRID-HKUYNNGSSA-N 1 3 344.503 2.512 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000664290427 481153494 /nfs/dbraw/zinc/15/34/94/481153494.db2.gz AUZKIKBGHNLHDA-MRXNPFEDSA-N 1 3 332.492 2.990 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664290427 481153505 /nfs/dbraw/zinc/15/35/05/481153505.db2.gz AUZKIKBGHNLHDA-MRXNPFEDSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669486875 481154051 /nfs/dbraw/zinc/15/40/51/481154051.db2.gz IJQPGFIJPUAWQR-AEFFLSMTSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669486878 481154326 /nfs/dbraw/zinc/15/43/26/481154326.db2.gz IJQPGFIJPUAWQR-WMZOPIPTSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669487053 481154914 /nfs/dbraw/zinc/15/49/14/481154914.db2.gz CFHZDKOGMVXKND-QFBILLFUSA-N 1 3 344.503 2.653 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000669490642 481158124 /nfs/dbraw/zinc/15/81/24/481158124.db2.gz RMDMPIUKIGQXJP-HNAYVOBHSA-N 1 3 346.519 2.839 20 0 EFADHO CC(C)(C(=O)NCc1ccc(C[NH3+])cc1F)[C@H](N)c1ccccc1 ZINC000653222515 481159071 /nfs/dbraw/zinc/15/90/71/481159071.db2.gz DLSJVSMNDDPKOG-QGZVFWFLSA-N 1 3 329.419 2.627 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC000669521791 481178586 /nfs/dbraw/zinc/17/85/86/481178586.db2.gz XJIOKQYTRCXBCW-WMZOPIPTSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000669528886 481183684 /nfs/dbraw/zinc/18/36/84/481183684.db2.gz PMNFGOVPHCYJJY-SJLPKXTDSA-N 1 3 344.503 2.610 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000653272077 481194416 /nfs/dbraw/zinc/19/44/16/481194416.db2.gz YDJMLHDWXUYIFL-GOSISDBHSA-N 1 3 347.478 2.544 20 0 EFADHO CC[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000647937953 481197359 /nfs/dbraw/zinc/19/73/59/481197359.db2.gz FMYGWTWGVMPGRX-MNEFBYGVSA-N 1 3 329.488 2.630 20 0 EFADHO CC[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2OC)CC[C@@H]1[NH3+] ZINC000647939020 481200452 /nfs/dbraw/zinc/20/04/52/481200452.db2.gz ZEJRZCWWLNJCKV-OCCSQVGLSA-N 1 3 339.867 2.736 20 0 EFADHO COc1c(Br)cccc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666954336 481216488 /nfs/dbraw/zinc/21/64/88/481216488.db2.gz USQITOFXWRFAJG-CYBMUJFWSA-N 1 3 325.250 2.689 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccc(Cl)cc1 ZINC000647975023 481225399 /nfs/dbraw/zinc/22/53/99/481225399.db2.gz HSJGLYLINBJOKW-IRXDYDNUSA-N 1 3 349.906 2.668 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccc(Cl)cc1 ZINC000647975024 481225866 /nfs/dbraw/zinc/22/58/66/481225866.db2.gz HSJGLYLINBJOKW-SJORKVTESA-N 1 3 349.906 2.668 20 0 EFADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)[C@@H]1C ZINC000647975274 481226361 /nfs/dbraw/zinc/22/63/61/481226361.db2.gz UIUZRNWPYMBYIH-GFEQUFNTSA-N 1 3 335.536 2.639 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc2c(c1)CCC2 ZINC000647975897 481227814 /nfs/dbraw/zinc/22/78/14/481227814.db2.gz HKMSAYAZBGDOSD-MOPGFXCFSA-N 1 3 341.499 2.825 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975980 481227902 /nfs/dbraw/zinc/22/79/02/481227902.db2.gz IJRACNMLOOWHCR-NJAFHUGGSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647975413 481228917 /nfs/dbraw/zinc/22/89/17/481228917.db2.gz AACFJVLUEDEIHZ-HRCADAONSA-N 1 3 335.517 2.637 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCCc2ccccc21 ZINC000647975365 481229252 /nfs/dbraw/zinc/22/92/52/481229252.db2.gz YGKVDBJYDJPCBG-RBUKOAKNSA-N 1 3 341.499 2.677 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCCc2ccccc21 ZINC000647975364 481229275 /nfs/dbraw/zinc/22/92/75/481229275.db2.gz YGKVDBJYDJPCBG-OALUTQOASA-N 1 3 341.499 2.677 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976992 481231068 /nfs/dbraw/zinc/23/10/68/481231068.db2.gz WQVARBCZMKAYOF-QZTJIDSGSA-N 1 3 330.472 2.980 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976044 481231305 /nfs/dbraw/zinc/23/13/05/481231305.db2.gz JGPRNFVKAHLERE-BCYZHJNNSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977484 481232820 /nfs/dbraw/zinc/23/28/20/481232820.db2.gz CGXVVOYMUSRFRM-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000642630862 481233697 /nfs/dbraw/zinc/23/36/97/481233697.db2.gz OLUAPJQVMYZUAF-BHYGNILZSA-N 1 3 331.460 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630862 481233707 /nfs/dbraw/zinc/23/37/07/481233707.db2.gz OLUAPJQVMYZUAF-BHYGNILZSA-N 1 3 331.460 2.629 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977253 481234383 /nfs/dbraw/zinc/23/43/83/481234383.db2.gz ZQQJMCZDMNOSCH-AZUAARDMSA-N 1 3 343.515 2.665 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000647977421 481234549 /nfs/dbraw/zinc/23/45/49/481234549.db2.gz AZXIALRWTOAWTO-RTBURBONSA-N 1 3 335.536 2.785 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccccc21 ZINC000647978002 481234809 /nfs/dbraw/zinc/23/48/09/481234809.db2.gz KWBAKLSPUYFNAW-CVEARBPZSA-N 1 3 340.471 2.590 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccccc21 ZINC000647978004 481234975 /nfs/dbraw/zinc/23/49/75/481234975.db2.gz KWBAKLSPUYFNAW-HZPDHXFCSA-N 1 3 340.471 2.590 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978751 481236015 /nfs/dbraw/zinc/23/60/15/481236015.db2.gz XQPROIQVVWVJJC-OALUTQOASA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000647978812 481237031 /nfs/dbraw/zinc/23/70/31/481237031.db2.gz YMCSGLWEYUQBHL-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995566 481243922 /nfs/dbraw/zinc/24/39/22/481243922.db2.gz SDQBSZMEIPHIPM-GOEBONIOSA-N 1 3 331.460 2.677 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666995566 481243928 /nfs/dbraw/zinc/24/39/28/481243928.db2.gz SDQBSZMEIPHIPM-GOEBONIOSA-N 1 3 331.460 2.677 20 0 EFADHO CC(C)COC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713068 481251391 /nfs/dbraw/zinc/25/13/91/481251391.db2.gz FNFAQQPAQPKQNH-IBGZPJMESA-N 1 3 326.525 2.608 20 0 EFADHO CCCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CCN(C)C1 ZINC000646371010 481255177 /nfs/dbraw/zinc/25/51/77/481255177.db2.gz AGGCYPBHAFHEMQ-KRWDZBQOSA-N 1 3 332.492 2.739 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705533 481272276 /nfs/dbraw/zinc/27/22/76/481272276.db2.gz KVKVYFUKEFIKSF-JENIJYKNSA-N 1 3 348.487 2.812 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC000650706730 481275005 /nfs/dbraw/zinc/27/50/05/481275005.db2.gz ROTBCONUMVJLSI-NSHGMRRFSA-N 1 3 340.471 2.591 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000650708292 481277297 /nfs/dbraw/zinc/27/72/97/481277297.db2.gz WZWLTSVUTQRAQD-ZVZYQTTQSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000650708290 481279016 /nfs/dbraw/zinc/27/90/16/481279016.db2.gz WZWLTSVUTQRAQD-QILLFSRXSA-N 1 3 344.459 2.696 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408847 481280072 /nfs/dbraw/zinc/28/00/72/481280072.db2.gz NQTHDVSBKFJGEC-QYZOEREBSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409903 481280844 /nfs/dbraw/zinc/28/08/44/481280844.db2.gz DETGZWMRJYFYSS-IEBWSBKVSA-N 1 3 329.488 2.720 20 0 EFADHO COc1cc(C)c(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000667054149 481281327 /nfs/dbraw/zinc/28/13/27/481281327.db2.gz PDAUUAVLHUUIPV-QZTJIDSGSA-N 1 3 348.487 2.731 20 0 EFADHO COc1cc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000667054150 481281628 /nfs/dbraw/zinc/28/16/28/481281628.db2.gz PDAUUAVLHUUIPV-ROUUACIJSA-N 1 3 348.487 2.731 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3nccc4ccccc43)CC2)C1 ZINC000667054172 481281746 /nfs/dbraw/zinc/28/17/46/481281746.db2.gz SWDYILLUGLUZNK-FXAWDEMLSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]Cc1ccc(CNC2CCN(CCC(F)(F)F)CC2)c(F)c1 ZINC000650717823 481284663 /nfs/dbraw/zinc/28/46/63/481284663.db2.gz OBYDILAAWQNGCY-UHFFFAOYSA-N 1 3 333.373 2.791 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650717875 481287836 /nfs/dbraw/zinc/28/78/36/481287836.db2.gz POCYVEXSXFEJSU-YWZLYKJASA-N 1 3 327.447 2.895 20 0 EFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721780 481289790 /nfs/dbraw/zinc/28/97/90/481289790.db2.gz BBPDICCWXJGYSP-UHOSZYNNSA-N 1 3 331.460 2.506 20 0 EFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721778 481290560 /nfs/dbraw/zinc/29/05/60/481290560.db2.gz BBPDICCWXJGYSP-QRQLOZEOSA-N 1 3 331.460 2.506 20 0 EFADHO CCn1nc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c2ccccc21 ZINC000650723865 481291316 /nfs/dbraw/zinc/29/13/16/481291316.db2.gz VDIRFKBXOQRLJQ-CDHQVMDDSA-N 1 3 342.487 2.917 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000650723706 481291582 /nfs/dbraw/zinc/29/15/82/481291582.db2.gz SDRPVUFNHLVHLL-NEWSRXKRSA-N 1 3 340.471 2.938 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)C1CCN(C)CC1 ZINC000648055429 481294523 /nfs/dbraw/zinc/29/45/23/481294523.db2.gz KYOOCFMCRHJJIK-NQIIRXRSSA-N 1 3 343.515 2.828 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1)C1CCN(C)CC1 ZINC000648055429 481294525 /nfs/dbraw/zinc/29/45/25/481294525.db2.gz KYOOCFMCRHJJIK-NQIIRXRSSA-N 1 3 343.515 2.828 20 0 EFADHO OCC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000648068128 481301893 /nfs/dbraw/zinc/30/18/93/481301893.db2.gz CNJKKVQXWIBJPO-IBGZPJMESA-N 1 3 329.419 2.903 20 0 EFADHO CC[C@@H]1CN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000667123207 481336545 /nfs/dbraw/zinc/33/65/45/481336545.db2.gz MAQZCAYXCVITAE-CVEARBPZSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659287441 481337605 /nfs/dbraw/zinc/33/76/05/481337605.db2.gz OKUFKZNHPSLIAY-FUHWJXTLSA-N 1 3 341.499 2.817 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000659287441 481337615 /nfs/dbraw/zinc/33/76/15/481337615.db2.gz OKUFKZNHPSLIAY-FUHWJXTLSA-N 1 3 341.499 2.817 20 0 EFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659288481 481338930 /nfs/dbraw/zinc/33/89/30/481338930.db2.gz YIKLFLPDGKIUHL-AOIWGVFYSA-N 1 3 327.472 2.696 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CCC(C)(C)[NH3+])c2)CC1 ZINC000648165127 481353472 /nfs/dbraw/zinc/35/34/72/481353472.db2.gz HESOGZUYEQCLCB-UHFFFAOYSA-N 1 3 332.492 2.673 20 0 EFADHO C[C@H](NC(=O)C1(N)CC2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318496 481358492 /nfs/dbraw/zinc/35/84/92/481358492.db2.gz CYVIRDIQBLRFQU-FUHWJXTLSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@H](NC(=O)C1(N)CC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318496 481358496 /nfs/dbraw/zinc/35/84/96/481358496.db2.gz CYVIRDIQBLRFQU-FUHWJXTLSA-N 1 3 341.499 2.675 20 0 EFADHO N[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659326069 481363355 /nfs/dbraw/zinc/36/33/55/481363355.db2.gz WMYDJXJMASNCQX-ZWKOTPCHSA-N 1 3 335.451 2.595 20 0 EFADHO CCN1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653616557 481366666 /nfs/dbraw/zinc/36/66/66/481366666.db2.gz GPVFHBNJJLWLAV-MORSLUCNSA-N 1 3 330.476 2.697 20 0 EFADHO CSc1cc(F)ccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000646549393 481372832 /nfs/dbraw/zinc/37/28/32/481372832.db2.gz KTVCWIFICYMROZ-UHFFFAOYSA-N 1 3 342.484 2.505 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3nc4c(s3)CCC4)CC2)CC1 ZINC000643295899 481392480 /nfs/dbraw/zinc/39/24/80/481392480.db2.gz PGVVAFYZGXBFMQ-UHFFFAOYSA-N 1 3 348.560 2.624 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3nc4c(s3)CCC4)CC2)CC1 ZINC000643295899 481392487 /nfs/dbraw/zinc/39/24/87/481392487.db2.gz PGVVAFYZGXBFMQ-UHFFFAOYSA-N 1 3 348.560 2.624 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646618241 481405919 /nfs/dbraw/zinc/40/59/19/481405919.db2.gz GZFOBBNGUMWGJQ-HXUWFJFHSA-N 1 3 341.499 2.609 20 0 EFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1ccc(F)cc1 ZINC000639681719 481423340 /nfs/dbraw/zinc/42/33/40/481423340.db2.gz CQUKMFDKAYCTLR-UHFFFAOYSA-N 1 3 342.418 2.762 20 0 EFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1ccc(F)cc1 ZINC000639681719 481423344 /nfs/dbraw/zinc/42/33/44/481423344.db2.gz CQUKMFDKAYCTLR-UHFFFAOYSA-N 1 3 342.418 2.762 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683516 481425253 /nfs/dbraw/zinc/42/52/53/481425253.db2.gz ITVQZQCNENGAON-PXNSSMCTSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683516 481425261 /nfs/dbraw/zinc/42/52/61/481425261.db2.gz ITVQZQCNENGAON-PXNSSMCTSA-N 1 3 325.456 2.758 20 0 EFADHO COc1ccc(COCCN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639683219 481425366 /nfs/dbraw/zinc/42/53/66/481425366.db2.gz SDAQMNYJEJAQPG-UHFFFAOYSA-N 1 3 341.455 2.819 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000650896795 481425856 /nfs/dbraw/zinc/42/58/56/481425856.db2.gz IIMZZDOMFFMCKC-UHFFFAOYSA-N 1 3 338.540 2.770 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646678902 481430691 /nfs/dbraw/zinc/43/06/91/481430691.db2.gz HROAJGZIWMRETQ-QUCCMNQESA-N 1 3 343.515 2.714 20 0 EFADHO O[C@]1(CN2CC[C@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692554 481432099 /nfs/dbraw/zinc/43/20/99/481432099.db2.gz GFNXWUUUNRSQLC-SFTDATJTSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@]1(CN2CC[C@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692554 481432103 /nfs/dbraw/zinc/43/21/03/481432103.db2.gz GFNXWUUUNRSQLC-SFTDATJTSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@@]1(CN2CC[C@@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692552 481432343 /nfs/dbraw/zinc/43/23/43/481432343.db2.gz GFNXWUUUNRSQLC-NHCUHLMSSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@@]1(CN2CC[C@@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692552 481432348 /nfs/dbraw/zinc/43/23/48/481432348.db2.gz GFNXWUUUNRSQLC-NHCUHLMSSA-N 1 3 337.467 2.508 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000650918791 481438864 /nfs/dbraw/zinc/43/88/64/481438864.db2.gz KZMWGYFUZPTDGY-IRXDYDNUSA-N 1 3 338.540 2.813 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000650918791 481438868 /nfs/dbraw/zinc/43/88/68/481438868.db2.gz KZMWGYFUZPTDGY-IRXDYDNUSA-N 1 3 338.540 2.813 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCC2)N2CCCC2)cc1 ZINC000659445725 481441271 /nfs/dbraw/zinc/44/12/71/481441271.db2.gz UUUXXSIXADMWKH-SFHVURJKSA-N 1 3 344.503 2.703 20 0 EFADHO c1cn([C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000639706082 481441887 /nfs/dbraw/zinc/44/18/87/481441887.db2.gz ZRLJIJUFLNAYCK-IBGZPJMESA-N 1 3 325.460 2.711 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH2+]C)N(CC)CC)cc1 ZINC000659495118 481471360 /nfs/dbraw/zinc/47/13/60/481471360.db2.gz IVZBSAHSMXXCEX-CRAIPNDOSA-N 1 3 334.508 2.539 20 0 EFADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643457593 481476089 /nfs/dbraw/zinc/47/60/89/481476089.db2.gz PHCUNIRYOCGSEW-KBAYOESNSA-N 1 3 332.488 2.720 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659512924 481477138 /nfs/dbraw/zinc/47/71/38/481477138.db2.gz RWYOZMOENNXRPW-ROUUACIJSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659512924 481477147 /nfs/dbraw/zinc/47/71/47/481477147.db2.gz RWYOZMOENNXRPW-ROUUACIJSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000643460947 481477999 /nfs/dbraw/zinc/47/79/99/481477999.db2.gz RNGQRHUDPUTNDF-DNVCBOLYSA-N 1 3 338.455 2.812 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000643460946 481478102 /nfs/dbraw/zinc/47/81/02/481478102.db2.gz RNGQRHUDPUTNDF-BEFAXECRSA-N 1 3 338.455 2.812 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643464026 481478500 /nfs/dbraw/zinc/47/85/00/481478500.db2.gz WXZIDHLSTBNINZ-FCGDIQPGSA-N 1 3 332.488 2.553 20 0 EFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000643463274 481479166 /nfs/dbraw/zinc/47/91/66/481479166.db2.gz QTFHVCBCTJIJEO-CADBVGFASA-N 1 3 333.520 2.678 20 0 EFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643463275 481479176 /nfs/dbraw/zinc/47/91/76/481479176.db2.gz QTFHVCBCTJIJEO-INDMIFKZSA-N 1 3 333.520 2.678 20 0 EFADHO OCC1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000643466276 481480606 /nfs/dbraw/zinc/48/06/06/481480606.db2.gz QKNJMXMLMYDZOI-PXNSSMCTSA-N 1 3 330.472 2.775 20 0 EFADHO CC(C)[C@@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000646776323 481481948 /nfs/dbraw/zinc/48/19/48/481481948.db2.gz CCYVRQLKRBOEMZ-WMZOPIPTSA-N 1 3 347.503 2.653 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637366438 481482687 /nfs/dbraw/zinc/48/26/87/481482687.db2.gz BZKBJMCZWQBKQT-ZWKOTPCHSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637366438 481482694 /nfs/dbraw/zinc/48/26/94/481482694.db2.gz BZKBJMCZWQBKQT-ZWKOTPCHSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662018157 481486514 /nfs/dbraw/zinc/48/65/14/481486514.db2.gz YZGXFEWVHKJKGX-NRFANRHFSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662018157 481486519 /nfs/dbraw/zinc/48/65/19/481486519.db2.gz YZGXFEWVHKJKGX-NRFANRHFSA-N 1 3 344.547 2.613 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523417 481495653 /nfs/dbraw/zinc/49/56/53/481495653.db2.gz BVXIOYPCYWTRPD-CYBMUJFWSA-N 1 3 327.403 2.936 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523417 481495657 /nfs/dbraw/zinc/49/56/57/481495657.db2.gz BVXIOYPCYWTRPD-CYBMUJFWSA-N 1 3 327.403 2.936 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000643540905 481498727 /nfs/dbraw/zinc/49/87/27/481498727.db2.gz SIMYOGUWVKLGNN-PXVVNCDHSA-N 1 3 326.419 2.811 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545746 481500978 /nfs/dbraw/zinc/50/09/78/481500978.db2.gz BMSHHRNYBYMBBR-AOIWGVFYSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545747 481501617 /nfs/dbraw/zinc/50/16/17/481501617.db2.gz BMSHHRNYBYMBBR-LMMKCTJWSA-N 1 3 328.504 2.556 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000643547365 481502081 /nfs/dbraw/zinc/50/20/81/481502081.db2.gz DJWLKVLRZZUPRG-OALUTQOASA-N 1 3 339.487 2.982 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000637426000 481526032 /nfs/dbraw/zinc/52/60/32/481526032.db2.gz PYBLNTDCVHNFCF-MRXNPFEDSA-N 1 3 340.899 2.630 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000637425983 481525753 /nfs/dbraw/zinc/52/57/53/481525753.db2.gz MGQXPPOYQZBBIN-UHFFFAOYSA-N 1 3 334.508 2.584 20 0 EFADHO CCCN(C(=O)N[C@@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659646452 481527014 /nfs/dbraw/zinc/52/70/14/481527014.db2.gz NOGQVHPEDNDAGW-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000653936349 481544894 /nfs/dbraw/zinc/54/48/94/481544894.db2.gz RQWYVTCHQDHPMZ-ROUUACIJSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000653936349 481544886 /nfs/dbraw/zinc/54/48/86/481544886.db2.gz RQWYVTCHQDHPMZ-ROUUACIJSA-N 1 3 330.476 2.887 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648450529 481555679 /nfs/dbraw/zinc/55/56/79/481555679.db2.gz RGFBOTUPTKCSAA-KSSFIOAISA-N 1 3 337.458 2.826 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cc2cc(Cl)cnc2o1 ZINC000648454378 481557763 /nfs/dbraw/zinc/55/77/63/481557763.db2.gz OHVHSOKRQDBRBJ-HNNXBMFYSA-N 1 3 337.851 2.808 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cc2cc(Cl)cnc2o1 ZINC000648454378 481557768 /nfs/dbraw/zinc/55/77/68/481557768.db2.gz OHVHSOKRQDBRBJ-HNNXBMFYSA-N 1 3 337.851 2.808 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476331 481571058 /nfs/dbraw/zinc/57/10/58/481571058.db2.gz VIIATIUKBLAXDZ-IRXDYDNUSA-N 1 3 349.862 2.949 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2cc(Cl)cnc2o1 ZINC000648500832 481582560 /nfs/dbraw/zinc/58/25/60/481582560.db2.gz LUUCWSHOZMKMFW-CQSZACIVSA-N 1 3 325.840 2.928 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cc3cc(Cl)cnc3o2)CC1 ZINC000648500024 481582712 /nfs/dbraw/zinc/58/27/12/481582712.db2.gz AGSZPCRGFKMNNW-UHFFFAOYSA-N 1 3 336.867 2.597 20 0 EFADHO O[C@H]1CCN(C2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)C1 ZINC000662152748 481598371 /nfs/dbraw/zinc/59/83/71/481598371.db2.gz YYXOBVCYCLRKBV-SFHVURJKSA-N 1 3 347.890 2.826 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647009000 481599906 /nfs/dbraw/zinc/59/99/06/481599906.db2.gz XFKNHTLUQKVQQZ-RTBURBONSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000659867545 481607765 /nfs/dbraw/zinc/60/77/65/481607765.db2.gz LTRHKAGZYKNBRK-GOSISDBHSA-N 1 3 345.487 2.907 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000659867545 481607769 /nfs/dbraw/zinc/60/77/69/481607769.db2.gz LTRHKAGZYKNBRK-GOSISDBHSA-N 1 3 345.487 2.907 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CCc4ccccc4CC3)C2)CC1 ZINC000651228253 481645287 /nfs/dbraw/zinc/64/52/87/481645287.db2.gz DQRHJCQNDDHHPG-HXUWFJFHSA-N 1 3 327.516 2.692 20 0 EFADHO C[C@@H]1CN(CC[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000659945689 481659557 /nfs/dbraw/zinc/65/95/57/481659557.db2.gz BXBHVMBPFAYMQS-XUVXKRRUSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CN(CC[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000659945689 481659563 /nfs/dbraw/zinc/65/95/63/481659563.db2.gz BXBHVMBPFAYMQS-XUVXKRRUSA-N 1 3 345.531 2.692 20 0 EFADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000659947363 481659699 /nfs/dbraw/zinc/65/96/99/481659699.db2.gz KXFFEMNYCMKLPZ-PBHICJAKSA-N 1 3 333.501 2.763 20 0 EFADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659947363 481659706 /nfs/dbraw/zinc/65/97/06/481659706.db2.gz KXFFEMNYCMKLPZ-PBHICJAKSA-N 1 3 333.501 2.763 20 0 EFADHO CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662256860 481668617 /nfs/dbraw/zinc/66/86/17/481668617.db2.gz LTEGRAIHSLBSCO-OALUTQOASA-N 1 3 329.488 2.554 20 0 EFADHO c1ccc2sc(C3CCN(C[C@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662258109 481673170 /nfs/dbraw/zinc/67/31/70/481673170.db2.gz IEUHBZIXLOATAM-OAHLLOKOSA-N 1 3 343.496 2.997 20 0 EFADHO c1ccc2oc([C@H]3CCC[N@@H+](C[C@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260940 481674395 /nfs/dbraw/zinc/67/43/95/481674395.db2.gz RSROLBYBBJRXQC-LSDHHAIUSA-N 1 3 327.428 2.528 20 0 EFADHO c1ccc2oc([C@H]3CCC[N@H+](C[C@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260940 481674405 /nfs/dbraw/zinc/67/44/05/481674405.db2.gz RSROLBYBBJRXQC-LSDHHAIUSA-N 1 3 327.428 2.528 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CO[C@@H](C)C3)CC2)c1 ZINC000647170025 481680117 /nfs/dbraw/zinc/68/01/17/481680117.db2.gz KWBAQUIMANNHIS-OALUTQOASA-N 1 3 331.504 2.664 20 0 EFADHO CC(C)C1CCC(N2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659992358 481686453 /nfs/dbraw/zinc/68/64/53/481686453.db2.gz DLPPLVLFVFZNQC-MHJFOBGBSA-N 1 3 339.568 2.520 20 0 EFADHO CC(C)C1CCC(N2CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659992358 481686461 /nfs/dbraw/zinc/68/64/61/481686461.db2.gz DLPPLVLFVFZNQC-MHJFOBGBSA-N 1 3 339.568 2.520 20 0 EFADHO c1ccc2c(CCN3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)nsc2c1 ZINC000662280944 481689534 /nfs/dbraw/zinc/68/95/34/481689534.db2.gz ILDKTUSDONREPM-WBVHZDCISA-N 1 3 343.496 2.539 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291029 481692881 /nfs/dbraw/zinc/69/28/81/481692881.db2.gz NHZQFBKVYIDLDM-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000662291816 481694907 /nfs/dbraw/zinc/69/49/07/481694907.db2.gz KUAAQKQDEXACHC-ICSRJNTNSA-N 1 3 341.499 2.894 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662291272 481695556 /nfs/dbraw/zinc/69/55/56/481695556.db2.gz RBRRMPFFNCAIPO-ABSDTBQOSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291985 481696083 /nfs/dbraw/zinc/69/60/83/481696083.db2.gz ZWOFCSXLAVAQDX-SFNKJDCFSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293318 481698125 /nfs/dbraw/zinc/69/81/25/481698125.db2.gz QJPZALNQSSJYEO-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293729 481698665 /nfs/dbraw/zinc/69/86/65/481698665.db2.gz IMEPEJLADFSQDW-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)on2)cnn1C ZINC000662294264 481699507 /nfs/dbraw/zinc/69/95/07/481699507.db2.gz QOBMXHZLJCVLNI-MRXNPFEDSA-N 1 3 343.475 2.595 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298772 481704569 /nfs/dbraw/zinc/70/45/69/481704569.db2.gz XUAMNOWITCSEMY-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298736 481705954 /nfs/dbraw/zinc/70/59/54/481705954.db2.gz XJZJGONQMARKHS-YLJYHZDGSA-N 1 3 343.515 2.711 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C3[C@@H]4CCCCCC[C@@H]34)CC2)CC1 ZINC000667641781 481706066 /nfs/dbraw/zinc/70/60/66/481706066.db2.gz CZTITCYVHYAVAR-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[N@@H+]1C ZINC000648745723 481711723 /nfs/dbraw/zinc/71/17/23/481711723.db2.gz NBVUJDFYYDGTSR-RLLQIKCJSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CC[N@H+]1C ZINC000648745723 481711730 /nfs/dbraw/zinc/71/17/30/481711730.db2.gz NBVUJDFYYDGTSR-RLLQIKCJSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1CCC[NH3+] ZINC000662312962 481717434 /nfs/dbraw/zinc/71/74/34/481717434.db2.gz CJMRELPJALXVRI-DNVCBOLYSA-N 1 3 329.488 2.953 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000667671242 481727446 /nfs/dbraw/zinc/72/74/46/481727446.db2.gz LTBOXMWZXHERRJ-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC000667671242 481727455 /nfs/dbraw/zinc/72/74/55/481727455.db2.gz LTBOXMWZXHERRJ-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC000667671242 481727466 /nfs/dbraw/zinc/72/74/66/481727466.db2.gz LTBOXMWZXHERRJ-WSTZPKSXSA-N 1 3 346.519 2.788 20 0 EFADHO CC(C)COCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328210 481730204 /nfs/dbraw/zinc/73/02/04/481730204.db2.gz ZMOJZBAFMCSMGS-UHFFFAOYSA-N 1 3 334.508 2.729 20 0 EFADHO CC(C)COCCN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662328210 481730208 /nfs/dbraw/zinc/73/02/08/481730208.db2.gz ZMOJZBAFMCSMGS-UHFFFAOYSA-N 1 3 334.508 2.729 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(COC)cs2)C1 ZINC000667681341 481732154 /nfs/dbraw/zinc/73/21/54/481732154.db2.gz GUPPETNMFKZSOG-INIZCTEOSA-N 1 3 326.506 2.827 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335744 481734900 /nfs/dbraw/zinc/73/49/00/481734900.db2.gz PRYGWGCPMFQSBJ-SJLPKXTDSA-N 1 3 339.487 2.760 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335744 481734905 /nfs/dbraw/zinc/73/49/05/481734905.db2.gz PRYGWGCPMFQSBJ-SJLPKXTDSA-N 1 3 339.487 2.760 20 0 EFADHO COc1ccc([C@H](N[C@H]2CCN(C(C)(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665236688 481738306 /nfs/dbraw/zinc/73/83/06/481738306.db2.gz SADFYEKBCWDYNN-WDSOQIARSA-N 1 3 331.504 2.951 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000660075589 481742218 /nfs/dbraw/zinc/74/22/18/481742218.db2.gz YYOXWMBIUHRIFU-UXHICEINSA-N 1 3 327.516 2.818 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000660075589 481742221 /nfs/dbraw/zinc/74/22/21/481742221.db2.gz YYOXWMBIUHRIFU-UXHICEINSA-N 1 3 327.516 2.818 20 0 EFADHO C[C@@H]1CN(CCN(C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000660075228 481742320 /nfs/dbraw/zinc/74/23/20/481742320.db2.gz YFWBBCQIHIZELA-KDURUIRLSA-N 1 3 345.531 2.692 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000660075591 481742521 /nfs/dbraw/zinc/74/25/21/481742521.db2.gz YYOXWMBIUHRIFU-WOJBJXKFSA-N 1 3 327.516 2.818 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCN(CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000660075591 481742523 /nfs/dbraw/zinc/74/25/23/481742523.db2.gz YYOXWMBIUHRIFU-WOJBJXKFSA-N 1 3 327.516 2.818 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCCN1CCCC1 ZINC000648790605 481743712 /nfs/dbraw/zinc/74/37/12/481743712.db2.gz UAFMEDCLVHFAQQ-SJLPKXTDSA-N 1 3 345.487 2.748 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)ccc1OCCN1CCCC1 ZINC000648790605 481743718 /nfs/dbraw/zinc/74/37/18/481743718.db2.gz UAFMEDCLVHFAQQ-SJLPKXTDSA-N 1 3 345.487 2.748 20 0 EFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662347107 481743822 /nfs/dbraw/zinc/74/38/22/481743822.db2.gz AUAPVHXYGCLOIG-KRWDZBQOSA-N 1 3 341.480 2.918 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2c1CNC2 ZINC000662355087 481746935 /nfs/dbraw/zinc/74/69/35/481746935.db2.gz DIRWFKXEOZDZPI-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)CN1Cc1ccccc1 ZINC000667726216 481763611 /nfs/dbraw/zinc/76/36/11/481763611.db2.gz OEPAKXDGKOIEIJ-DNVCBOLYSA-N 1 3 338.455 2.930 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000667729400 481765982 /nfs/dbraw/zinc/76/59/82/481765982.db2.gz FPPOHPMIJBMFKJ-UHFFFAOYSA-N 1 3 330.476 2.875 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000662375358 481767404 /nfs/dbraw/zinc/76/74/04/481767404.db2.gz YDFCFYSQBAYXOZ-HKUYNNGSSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H]1[C@H](NC(=O)Nc2cccc(C[NH3+])c2)CCN1Cc1ccccc1 ZINC000667733465 481768995 /nfs/dbraw/zinc/76/89/95/481768995.db2.gz FVAATYOJZYPUJU-HNAYVOBHSA-N 1 3 338.455 2.930 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)[C@H](c1ccccc1)N(C)C ZINC000667736542 481772824 /nfs/dbraw/zinc/77/28/24/481772824.db2.gz HSHVDKFTRPEQTG-RDTXWAMCSA-N 1 3 326.444 2.958 20 0 EFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1cccc2c1CNC2 ZINC000662382632 481775111 /nfs/dbraw/zinc/77/51/11/481775111.db2.gz ACQVFQNFTATGPA-UHFFFAOYSA-N 1 3 349.478 2.727 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743227 481777254 /nfs/dbraw/zinc/77/72/54/481777254.db2.gz INZVWJQHGHDWQV-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743227 481777260 /nfs/dbraw/zinc/77/72/60/481777260.db2.gz INZVWJQHGHDWQV-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294735 481779308 /nfs/dbraw/zinc/77/93/08/481779308.db2.gz VMJIADMOXQACAA-UXPWSPDFSA-N 1 3 332.488 2.860 20 0 EFADHO COc1ccccc1-c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000665299909 481780909 /nfs/dbraw/zinc/78/09/09/481780909.db2.gz VHOLXYVXLSNZBQ-QLFBSQMISA-N 1 3 327.428 2.828 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)c2cc3c(s2)CCNC3)([NH+](C)C)C1 ZINC000662400906 481786856 /nfs/dbraw/zinc/78/68/56/481786856.db2.gz IQHOOGKKMHEWNI-FZKQIMNGSA-N 1 3 335.517 2.634 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662403347 481788475 /nfs/dbraw/zinc/78/84/75/481788475.db2.gz VAEXLAGWDBEMAO-MAUKXSAKSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662403347 481788481 /nfs/dbraw/zinc/78/84/81/481788481.db2.gz VAEXLAGWDBEMAO-MAUKXSAKSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662403349 481788955 /nfs/dbraw/zinc/78/89/55/481788955.db2.gz VAEXLAGWDBEMAO-QAPCUYQASA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662403349 481788967 /nfs/dbraw/zinc/78/89/67/481788967.db2.gz VAEXLAGWDBEMAO-QAPCUYQASA-N 1 3 329.488 2.848 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662419758 481797058 /nfs/dbraw/zinc/79/70/58/481797058.db2.gz NTEWKMJFIDJXAA-GOSISDBHSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662419758 481797067 /nfs/dbraw/zinc/79/70/67/481797067.db2.gz NTEWKMJFIDJXAA-GOSISDBHSA-N 1 3 349.478 2.932 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654347772 481806985 /nfs/dbraw/zinc/80/69/85/481806985.db2.gz KRBAXOHCTSZGGA-CEXWTWQISA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654347772 481806979 /nfs/dbraw/zinc/80/69/79/481806979.db2.gz KRBAXOHCTSZGGA-CEXWTWQISA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654358104 481818863 /nfs/dbraw/zinc/81/88/63/481818863.db2.gz WKJWDXNNJRDJER-FHWLQOOXSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654358104 481818867 /nfs/dbraw/zinc/81/88/67/481818867.db2.gz WKJWDXNNJRDJER-FHWLQOOXSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000662507039 481848475 /nfs/dbraw/zinc/84/84/75/481848475.db2.gz INZLPSAAXOXMHL-IRXDYDNUSA-N 1 3 346.519 2.734 20 0 EFADHO C[C@@H](NC(=O)c1cccc2c1CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662514600 481853590 /nfs/dbraw/zinc/85/35/90/481853590.db2.gz PLUYSPSEMJXBHB-APWZRJJASA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H](NC(=O)c1cccc2c1CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662514600 481853596 /nfs/dbraw/zinc/85/35/96/481853596.db2.gz PLUYSPSEMJXBHB-APWZRJJASA-N 1 3 349.478 2.930 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000640218599 481858556 /nfs/dbraw/zinc/85/85/56/481858556.db2.gz HRBXIJAJRJEDTB-ZMYBRWDISA-N 1 3 340.471 2.608 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526877 481859741 /nfs/dbraw/zinc/85/97/41/481859741.db2.gz LPUBZDLOEULZRJ-BFYDXBDKSA-N 1 3 327.472 2.767 20 0 EFADHO CCCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCN(C)C1 ZINC000649002005 481882037 /nfs/dbraw/zinc/88/20/37/481882037.db2.gz ZGHYILBFUVONGI-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CCCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CCN(C)C1 ZINC000649002004 481883078 /nfs/dbraw/zinc/88/30/78/481883078.db2.gz ZGHYILBFUVONGI-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662588693 481888709 /nfs/dbraw/zinc/88/87/09/481888709.db2.gz FFIHYNVDWXTYTP-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000662623015 481903122 /nfs/dbraw/zinc/90/31/22/481903122.db2.gz WGXQTMTUJCZZES-KRWDZBQOSA-N 1 3 342.487 2.593 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000654527671 481918182 /nfs/dbraw/zinc/91/81/82/481918182.db2.gz BORIWBDTFFCEGD-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662658724 481919826 /nfs/dbraw/zinc/91/98/26/481919826.db2.gz JOXFGSSHDYUUGL-OALUTQOASA-N 1 3 345.531 2.786 20 0 EFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000662659705 481921680 /nfs/dbraw/zinc/92/16/80/481921680.db2.gz UPQAXFKSVXKRDW-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000654543997 481926533 /nfs/dbraw/zinc/92/65/33/481926533.db2.gz IGWMLDSIJJQAPY-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1(NC2CC2)CCC1 ZINC000662676078 481928583 /nfs/dbraw/zinc/92/85/83/481928583.db2.gz XWJCJBFZLVITRF-UHFFFAOYSA-N 1 3 327.472 2.573 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000660385597 481929141 /nfs/dbraw/zinc/92/91/41/481929141.db2.gz JZWYKOCBWDJDFS-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000660385597 481929148 /nfs/dbraw/zinc/92/91/48/481929148.db2.gz JZWYKOCBWDJDFS-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000668008110 481929855 /nfs/dbraw/zinc/92/98/55/481929855.db2.gz NANNRIPJEPELPJ-WOJBJXKFSA-N 1 3 341.499 2.563 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556710 481934604 /nfs/dbraw/zinc/93/46/04/481934604.db2.gz BPOUEOCSAPJIAT-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556710 481934615 /nfs/dbraw/zinc/93/46/15/481934615.db2.gz BPOUEOCSAPJIAT-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO NC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662690577 481935551 /nfs/dbraw/zinc/93/55/51/481935551.db2.gz BHCYLWBIDCPLOA-GOSISDBHSA-N 1 3 341.499 2.676 20 0 EFADHO NC1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC2(CCC2)C1 ZINC000662690577 481935556 /nfs/dbraw/zinc/93/55/56/481935556.db2.gz BHCYLWBIDCPLOA-GOSISDBHSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662696829 481938088 /nfs/dbraw/zinc/93/80/88/481938088.db2.gz WPPJRENDBHMADU-APWZRJJASA-N 1 3 349.478 2.898 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000660404901 481939308 /nfs/dbraw/zinc/93/93/08/481939308.db2.gz RESKBAGGXKFVQA-KURKYZTESA-N 1 3 338.540 2.528 20 0 EFADHO NC1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC2(CCC2)C1 ZINC000662699353 481939371 /nfs/dbraw/zinc/93/93/71/481939371.db2.gz PNUYFSPGNFTVKI-UHFFFAOYSA-N 1 3 347.528 2.738 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCNC2 ZINC000662701344 481941056 /nfs/dbraw/zinc/94/10/56/481941056.db2.gz OVDLIRHADHGBDW-QGZVFWFLSA-N 1 3 329.488 2.717 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1CCNC2 ZINC000662701344 481941061 /nfs/dbraw/zinc/94/10/61/481941061.db2.gz OVDLIRHADHGBDW-QGZVFWFLSA-N 1 3 329.488 2.717 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662718892 481946925 /nfs/dbraw/zinc/94/69/25/481946925.db2.gz RYVMMZCIUCLQCG-KBAYOESNSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662726562 481949548 /nfs/dbraw/zinc/94/95/48/481949548.db2.gz KYCOQTUWSLFPKU-NZSAHSFTSA-N 1 3 343.515 2.886 20 0 EFADHO CC1CCC(N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000662735149 481953759 /nfs/dbraw/zinc/95/37/59/481953759.db2.gz LXCCEFAWWCSBGQ-UHFFFAOYSA-N 1 3 341.499 2.669 20 0 EFADHO c1ncn(C[C@@H]2CCCN2Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000662795750 481972730 /nfs/dbraw/zinc/97/27/30/481972730.db2.gz WHVITKFQXWNSAW-FQEVSTJZSA-N 1 3 339.487 2.929 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000662867268 481999072 /nfs/dbraw/zinc/99/90/72/481999072.db2.gz JQJSNUQNRCEBPE-WOJBJXKFSA-N 1 3 337.467 2.624 20 0 EFADHO Cc1cccc2[nH]c(CN3CCC(C[NH+]4CCN(C)CC4)CC3)cc21 ZINC000668159447 482006166 /nfs/dbraw/zinc/00/61/66/482006166.db2.gz WNIFFCVTBZZNQS-UHFFFAOYSA-N 1 3 340.515 2.936 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000668158814 482006294 /nfs/dbraw/zinc/00/62/94/482006294.db2.gz ASTPSTUWIQRSIU-PKOBYXMFSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000668158814 482006296 /nfs/dbraw/zinc/00/62/96/482006296.db2.gz ASTPSTUWIQRSIU-PKOBYXMFSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000668158814 482006301 /nfs/dbraw/zinc/00/63/01/482006301.db2.gz ASTPSTUWIQRSIU-PKOBYXMFSA-N 1 3 334.504 2.963 20 0 EFADHO CN(Cc1cc2ccncc2s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162340 482007389 /nfs/dbraw/zinc/00/73/89/482007389.db2.gz WXGDBKXNGDBGSU-QGZVFWFLSA-N 1 3 344.528 2.897 20 0 EFADHO CN(Cc1cc2ccncc2s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668162340 482007394 /nfs/dbraw/zinc/00/73/94/482007394.db2.gz WXGDBKXNGDBGSU-QGZVFWFLSA-N 1 3 344.528 2.897 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cn1 ZINC000668169550 482013887 /nfs/dbraw/zinc/01/38/87/482013887.db2.gz UCAVVZAJGMIWOZ-CMKODMSKSA-N 1 3 346.519 2.644 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cn1 ZINC000668169550 482013888 /nfs/dbraw/zinc/01/38/88/482013888.db2.gz UCAVVZAJGMIWOZ-CMKODMSKSA-N 1 3 346.519 2.644 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000654727073 482015827 /nfs/dbraw/zinc/01/58/27/482015827.db2.gz FOMZEHHFUUTHRI-GUDVDZBRSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654726389 482017089 /nfs/dbraw/zinc/01/70/89/482017089.db2.gz ZZWBSGLTZDWESY-QZTJIDSGSA-N 1 3 336.524 2.615 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000654728046 482018166 /nfs/dbraw/zinc/01/81/66/482018166.db2.gz ALDYHJYOAOGSPO-IPMKNSEASA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000649311346 482023623 /nfs/dbraw/zinc/02/36/23/482023623.db2.gz JFJMYBGZXDYBNI-DFQSSKMNSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000649311346 482023628 /nfs/dbraw/zinc/02/36/28/482023628.db2.gz JFJMYBGZXDYBNI-DFQSSKMNSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663001247 482030785 /nfs/dbraw/zinc/03/07/85/482030785.db2.gz RXKRBVPNNHCGGG-WDYCEAGBSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663001247 482030788 /nfs/dbraw/zinc/03/07/88/482030788.db2.gz RXKRBVPNNHCGGG-WDYCEAGBSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663004024 482031294 /nfs/dbraw/zinc/03/12/94/482031294.db2.gz NZJAHOPXWSKRDZ-HKUYNNGSSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663004024 482031297 /nfs/dbraw/zinc/03/12/97/482031297.db2.gz NZJAHOPXWSKRDZ-HKUYNNGSSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@@H](NC1(CNC(=O)CCC(C)(C)[NH3+])CCOCC1)c1ccccc1 ZINC000649335270 482032132 /nfs/dbraw/zinc/03/21/32/482032132.db2.gz PDEOSYJIXONEKC-MRXNPFEDSA-N 1 3 347.503 2.520 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCC(C)(C)[NH3+] ZINC000649345126 482035633 /nfs/dbraw/zinc/03/56/33/482035633.db2.gz MBGLXFSUDCZORH-GOSISDBHSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)cc1 ZINC000649347342 482036304 /nfs/dbraw/zinc/03/63/04/482036304.db2.gz RCNPUVNPJUYBQC-PBHICJAKSA-N 1 3 339.439 2.676 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000649368371 482044356 /nfs/dbraw/zinc/04/43/56/482044356.db2.gz IHTILMCLGUWFMG-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000649368370 482044788 /nfs/dbraw/zinc/04/47/88/482044788.db2.gz IHTILMCLGUWFMG-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000649377016 482049615 /nfs/dbraw/zinc/04/96/15/482049615.db2.gz JWEHNHXJEYNLIW-GOSISDBHSA-N 1 3 332.492 2.520 20 0 EFADHO CN(CCc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000649399922 482061061 /nfs/dbraw/zinc/06/10/61/482061061.db2.gz SKCDMWWERSKEDM-LJQANCHMSA-N 1 3 335.923 2.983 20 0 EFADHO CN(CCc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000649399922 482061065 /nfs/dbraw/zinc/06/10/65/482061065.db2.gz SKCDMWWERSKEDM-LJQANCHMSA-N 1 3 335.923 2.983 20 0 EFADHO COc1ccc(C)cc1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649411379 482066841 /nfs/dbraw/zinc/06/68/41/482066841.db2.gz PNKUSWHHUZIWDL-SFHVURJKSA-N 1 3 331.504 2.511 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1C ZINC000660653617 482071006 /nfs/dbraw/zinc/07/10/06/482071006.db2.gz CHKDSPHONGAFDJ-TZIWHRDSSA-N 1 3 346.515 2.769 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1C ZINC000660653617 482071012 /nfs/dbraw/zinc/07/10/12/482071012.db2.gz CHKDSPHONGAFDJ-TZIWHRDSSA-N 1 3 346.515 2.769 20 0 EFADHO [NH3+]CCC1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000652128295 482088224 /nfs/dbraw/zinc/08/82/24/482088224.db2.gz VLEWGHWLRQQPEQ-LJQANCHMSA-N 1 3 344.503 2.594 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000652191168 482119981 /nfs/dbraw/zinc/11/99/81/482119981.db2.gz MEEXTBZBXRHGTF-VQIMIIECSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652204346 482125090 /nfs/dbraw/zinc/12/50/90/482125090.db2.gz OQJXRXJVLIYUTL-NSHGMRRFSA-N 1 3 344.503 2.580 20 0 EFADHO COc1cc2nccc(N3CCC4(CC[NH2+]C4)CC3)c2cc1OC ZINC000663239396 482133618 /nfs/dbraw/zinc/13/36/18/482133618.db2.gz OYMJEBHXUIGRHB-UHFFFAOYSA-N 1 3 327.428 2.832 20 0 EFADHO CCCCCN(CCNC(=O)N1CCC([NH3+])CC1)Cc1ccccc1 ZINC000652228438 482134722 /nfs/dbraw/zinc/13/47/22/482134722.db2.gz FUWKVYHPXXVXER-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H]2CCCN2C)CC1 ZINC000649574687 482137277 /nfs/dbraw/zinc/13/72/77/482137277.db2.gz RJYKEXRVQCHCGG-SJLPKXTDSA-N 1 3 348.510 2.712 20 0 EFADHO COc1cccc(OC)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000668485400 482140973 /nfs/dbraw/zinc/14/09/73/482140973.db2.gz ZEYRFPHRTXLRRQ-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000668490949 482142660 /nfs/dbraw/zinc/14/26/60/482142660.db2.gz QBVQQMATBLAPPZ-QRQLOZEOSA-N 1 3 344.503 2.592 20 0 EFADHO C[N@H+](C[C@@H](O)CN1CCC2(CCc3ccccc3C2)CC1)C1CC1 ZINC000649647313 482167653 /nfs/dbraw/zinc/16/76/53/482167653.db2.gz ISNVUVSKLZPCTL-HXUWFJFHSA-N 1 3 328.500 2.713 20 0 EFADHO C[N@@H+](C[C@@H](O)CN1CCC2(CCc3ccccc3C2)CC1)C1CC1 ZINC000649647313 482167657 /nfs/dbraw/zinc/16/76/57/482167657.db2.gz ISNVUVSKLZPCTL-HXUWFJFHSA-N 1 3 328.500 2.713 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668575689 482174472 /nfs/dbraw/zinc/17/44/72/482174472.db2.gz NHHMJDBOBMHJIP-PMACEKPBSA-N 1 3 343.515 2.857 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082639 482175003 /nfs/dbraw/zinc/17/50/03/482175003.db2.gz XGSCBKJNZAENQL-QGZVFWFLSA-N 1 3 335.923 2.815 20 0 EFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000666090364 482177424 /nfs/dbraw/zinc/17/74/24/482177424.db2.gz XPDSNLFXHDHYRQ-DLBZAZTESA-N 1 3 331.504 2.823 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857093 482181911 /nfs/dbraw/zinc/18/19/11/482181911.db2.gz FMHXPWLFJIQSLL-QGZVFWFLSA-N 1 3 344.503 2.519 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000660857502 482182152 /nfs/dbraw/zinc/18/21/52/482182152.db2.gz QBBYIRKFIZOFGJ-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CCOc1ccccc1OCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347629 482184312 /nfs/dbraw/zinc/18/43/12/482184312.db2.gz HMOYVXSIGYLOFH-ABSDTBQOSA-N 1 3 348.487 2.682 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000652351480 482186363 /nfs/dbraw/zinc/18/63/63/482186363.db2.gz ZFFMDYJAPSHPIC-DSKINZAPSA-N 1 3 341.499 2.631 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000652351480 482186368 /nfs/dbraw/zinc/18/63/68/482186368.db2.gz ZFFMDYJAPSHPIC-DSKINZAPSA-N 1 3 341.499 2.631 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCN ZINC000652353473 482188504 /nfs/dbraw/zinc/18/85/04/482188504.db2.gz LJYDDCCVAXAKMF-YJBOKZPZSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCN ZINC000652353473 482188511 /nfs/dbraw/zinc/18/85/11/482188511.db2.gz LJYDDCCVAXAKMF-YJBOKZPZSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CC[NH3+] ZINC000652353473 482188518 /nfs/dbraw/zinc/18/85/18/482188518.db2.gz LJYDDCCVAXAKMF-YJBOKZPZSA-N 1 3 343.471 2.512 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668660955 482203029 /nfs/dbraw/zinc/20/30/29/482203029.db2.gz IRKYYMHAVZHNOM-QZTJIDSGSA-N 1 3 332.492 2.511 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668660957 482203361 /nfs/dbraw/zinc/20/33/61/482203361.db2.gz IRKYYMHAVZHNOM-ZWKOTPCHSA-N 1 3 332.492 2.511 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CC[C@@H]1[NH3+] ZINC000668660969 482204066 /nfs/dbraw/zinc/20/40/66/482204066.db2.gz IWGLCTUHQYHXBL-NZSAHSFTSA-N 1 3 346.519 2.838 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1NCCN1CCN(CC)CC1 ZINC000663395581 482206785 /nfs/dbraw/zinc/20/67/85/482206785.db2.gz AICKQXLFPZQRBG-UHFFFAOYSA-N 1 3 326.488 2.577 20 0 EFADHO CCCc1cc(NCCC[NH+]2CCC(O)CC2)c2ccccc2n1 ZINC000663402095 482211096 /nfs/dbraw/zinc/21/10/96/482211096.db2.gz HDUFHIPCYPYJCO-UHFFFAOYSA-N 1 3 327.472 2.868 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000663449859 482244155 /nfs/dbraw/zinc/24/41/55/482244155.db2.gz GLCKLWDYGWJEFM-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000663452451 482246557 /nfs/dbraw/zinc/24/65/57/482246557.db2.gz YLTFXVLMHFHEBJ-HUUCEWRRSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000649780685 482246823 /nfs/dbraw/zinc/24/68/23/482246823.db2.gz GFGNDTLXNPUNFT-PVAVHDDUSA-N 1 3 332.492 2.932 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000655352076 482279992 /nfs/dbraw/zinc/27/99/92/482279992.db2.gz WHGKYZNWEPUDQU-GBESFXJTSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000669051194 482359875 /nfs/dbraw/zinc/35/98/75/482359875.db2.gz HEZWMBIWDGCUFC-OAHLLOKOSA-N 1 3 340.471 2.562 20 0 EFADHO CC(C)N1CCN(C2CCN(c3[nH+]ccc4[nH]ccc43)CC2)CC1 ZINC000663753559 482375452 /nfs/dbraw/zinc/37/54/52/482375452.db2.gz LBLSNFDONRWDPO-UHFFFAOYSA-N 1 3 327.476 2.558 20 0 EFADHO C[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178181338 533913682 /nfs/dbraw/zinc/91/36/82/533913682.db2.gz OYFDKAAPMOHXCD-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C1CC1 ZINC000171598363 533970625 /nfs/dbraw/zinc/97/06/25/533970625.db2.gz HQULPGWPTCLTFP-INIZCTEOSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000177867407 534024861 /nfs/dbraw/zinc/02/48/61/534024861.db2.gz CFSQBUIOVQZAPP-IAGOWNOFSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000181279537 534026951 /nfs/dbraw/zinc/02/69/51/534026951.db2.gz YSGKVHANAGLQEK-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749765 518183567 /nfs/dbraw/zinc/18/35/67/518183567.db2.gz NDZHNGIHPUNMEE-CWRNSKLLSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000181816210 518707256 /nfs/dbraw/zinc/70/72/56/518707256.db2.gz ZRKISYHHBXIUKM-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21)C(C)C ZINC000183183626 519643027 /nfs/dbraw/zinc/64/30/27/519643027.db2.gz WQICHTQLHGDYHB-QZTJIDSGSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2CCN(c3ccncc3)CC2)CC1 ZINC000089393674 519669036 /nfs/dbraw/zinc/66/90/36/519669036.db2.gz ODBCYSGUZPTAAW-UHFFFAOYSA-N 1 3 344.503 2.535 20 0 EFADHO CC(C)NC(=O)CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183128074 519704280 /nfs/dbraw/zinc/70/42/80/519704280.db2.gz KNBSNWBGUFIMLD-UFYCRDLUSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128074 519704281 /nfs/dbraw/zinc/70/42/81/519704281.db2.gz KNBSNWBGUFIMLD-UFYCRDLUSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128074 519704282 /nfs/dbraw/zinc/70/42/82/519704282.db2.gz KNBSNWBGUFIMLD-UFYCRDLUSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)[C@H](CNC(=O)C1([NH3+])CCCCC1)N1CCc2ccccc2C1 ZINC000236654957 519815300 /nfs/dbraw/zinc/81/53/00/519815300.db2.gz SXELFAQAWOSGBL-IBGZPJMESA-N 1 3 343.515 2.847 20 0 EFADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131370 519873055 /nfs/dbraw/zinc/87/30/55/519873055.db2.gz NZIZQJHNODFGBC-UFYCRDLUSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131370 519873056 /nfs/dbraw/zinc/87/30/56/519873056.db2.gz NZIZQJHNODFGBC-UFYCRDLUSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131370 519873058 /nfs/dbraw/zinc/87/30/58/519873058.db2.gz NZIZQJHNODFGBC-UFYCRDLUSA-N 1 3 343.515 2.793 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCCC2 ZINC000181468082 520423830 /nfs/dbraw/zinc/42/38/30/520423830.db2.gz BCLQXMPHIONUNT-RBUKOAKNSA-N 1 3 337.552 2.730 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)NC2CCN(C)CC2)CC1 ZINC000182580540 520589572 /nfs/dbraw/zinc/58/95/72/520589572.db2.gz QMEYVBCONKRXIC-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC1(C)[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@@H]2CCCO[C@@H]21 ZINC000182263973 520631957 /nfs/dbraw/zinc/63/19/57/520631957.db2.gz LEMBOBYGCJNNAV-MUGJNUQGSA-N 1 3 344.499 2.546 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000181330493 520871072 /nfs/dbraw/zinc/87/10/72/520871072.db2.gz PCZZXDOVERNUOO-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000236652885 521034668 /nfs/dbraw/zinc/03/46/68/521034668.db2.gz CREXELGUVIVFLO-FPOVZHCZSA-N 1 3 343.515 2.966 20 0 EFADHO CCCC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236695760 521062676 /nfs/dbraw/zinc/06/26/76/521062676.db2.gz ZQVCOSYNCYGGBB-RBUKOAKNSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236695760 521062684 /nfs/dbraw/zinc/06/26/84/521062684.db2.gz ZQVCOSYNCYGGBB-RBUKOAKNSA-N 1 3 331.504 2.875 20 0 EFADHO [NH3+]CC1(CC(=O)NCCCN2CCc3ccccc3C2)CCCCC1 ZINC000184224440 534587421 /nfs/dbraw/zinc/58/74/21/534587421.db2.gz OCSFGKKSFBPQDL-UHFFFAOYSA-N 1 3 343.515 2.850 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178845432 521825277 /nfs/dbraw/zinc/82/52/77/521825277.db2.gz JRHBNYLUNJKCKA-QXAKKESOSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178845432 521825290 /nfs/dbraw/zinc/82/52/90/521825290.db2.gz JRHBNYLUNJKCKA-QXAKKESOSA-N 1 3 331.504 2.730 20 0 EFADHO CN(CCN1CCCC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118785773 521884886 /nfs/dbraw/zinc/88/48/86/521884886.db2.gz ZSPQZWHPOVNSCS-UHFFFAOYSA-N 1 3 329.444 2.662 20 0 EFADHO COCC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183143121 521895490 /nfs/dbraw/zinc/89/54/90/521895490.db2.gz UVTMBYNTKVDGNZ-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000262283737 522019897 /nfs/dbraw/zinc/01/98/97/522019897.db2.gz VDVUGRHAUUHSEO-UHFFFAOYSA-N 1 3 341.455 2.641 20 0 EFADHO CN(C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176502323 522037363 /nfs/dbraw/zinc/03/73/63/522037363.db2.gz ZYMUFDWIEPARIW-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO COC[C@@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000120692418 522349205 /nfs/dbraw/zinc/34/92/05/522349205.db2.gz KWFISIDMTZOHJX-HXUWFJFHSA-N 1 3 332.488 2.922 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192780176 523344863 /nfs/dbraw/zinc/34/48/63/523344863.db2.gz IJMPKWJTXFSXSO-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+]1CCCN(CCCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000245904162 523807245 /nfs/dbraw/zinc/80/72/45/523807245.db2.gz FBPWCSVRXPLZDF-OAQYLSRUSA-N 1 3 338.499 2.788 20 0 EFADHO C[N@H+]1CCCN(CCCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000245904162 523807253 /nfs/dbraw/zinc/80/72/53/523807253.db2.gz FBPWCSVRXPLZDF-OAQYLSRUSA-N 1 3 338.499 2.788 20 0 EFADHO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000124245249 524199507 /nfs/dbraw/zinc/19/95/07/524199507.db2.gz SDZGZZDCNHJGDP-WMZOPIPTSA-N 1 3 331.504 2.894 20 0 EFADHO C[C@@H]1CCC[C@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000154071995 524370270 /nfs/dbraw/zinc/37/02/70/524370270.db2.gz KKHHMHVQNMMNLT-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000124245039 524383872 /nfs/dbraw/zinc/38/38/72/524383872.db2.gz SDZGZZDCNHJGDP-AEFFLSMTSA-N 1 3 331.504 2.894 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000179723054 524575465 /nfs/dbraw/zinc/57/54/65/524575465.db2.gz LLACBGBBVWLIDJ-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC000179723054 524575471 /nfs/dbraw/zinc/57/54/71/524575471.db2.gz LLACBGBBVWLIDJ-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262988723 524632748 /nfs/dbraw/zinc/63/27/48/524632748.db2.gz NMABLHDBBSMSNR-FXAWDEMLSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512985 524769460 /nfs/dbraw/zinc/76/94/60/524769460.db2.gz UXKPQQAHXPQCBR-GFCCVEGCSA-N 1 3 343.313 2.887 20 0 EFADHO C[C@H]([NH3+])c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000178190866 524864804 /nfs/dbraw/zinc/86/48/04/524864804.db2.gz UOCXWHFNWPTYPX-HNNXBMFYSA-N 1 3 331.460 2.680 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@H](C)O1 ZINC000181616648 524941018 /nfs/dbraw/zinc/94/10/18/524941018.db2.gz HTUGULYSYWNZQA-FQBWVUSXSA-N 1 3 336.520 2.813 20 0 EFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000195341295 525153678 /nfs/dbraw/zinc/15/36/78/525153678.db2.gz JCFTVYSBJUPXAD-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000263267154 525285548 /nfs/dbraw/zinc/28/55/48/525285548.db2.gz RRLIUNVGOBMPNF-HKUYNNGSSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000263216891 525286190 /nfs/dbraw/zinc/28/61/90/525286190.db2.gz KZLLYFDIGAKHFJ-ICSRJNTNSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCCC1 ZINC000089593154 525532228 /nfs/dbraw/zinc/53/22/28/525532228.db2.gz OWORHMLBUMXHFS-IRXDYDNUSA-N 1 3 347.503 2.679 20 0 EFADHO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(OCCN(C)C)c1 ZINC000090454722 525633202 /nfs/dbraw/zinc/63/32/02/525633202.db2.gz TUFDTBHSVHAUID-YOEHRIQHSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000090454632 525634318 /nfs/dbraw/zinc/63/43/18/525634318.db2.gz NJXQWOPPYWAFKP-YOEHRIQHSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(OCCN(C)C)c1 ZINC000090454721 525653780 /nfs/dbraw/zinc/65/37/80/525653780.db2.gz TUFDTBHSVHAUID-RHSMWYFYSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(OCCN(C)C)c1 ZINC000090454723 525692723 /nfs/dbraw/zinc/69/27/23/525692723.db2.gz TUFDTBHSVHAUID-PBHICJAKSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237546445 525784315 /nfs/dbraw/zinc/78/43/15/525784315.db2.gz GYJSGQHWAZSUBJ-OAQYLSRUSA-N 1 3 343.515 2.543 20 0 EFADHO CS[C@@H](CO)[C@@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183144800 525815630 /nfs/dbraw/zinc/81/56/30/525815630.db2.gz HMUQZXXFLVKIPR-ZKIDJSGLSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@@H](CO)[C@@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144800 525815639 /nfs/dbraw/zinc/81/56/39/525815639.db2.gz HMUQZXXFLVKIPR-ZKIDJSGLSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@@H](CO)[C@@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144800 525815654 /nfs/dbraw/zinc/81/56/54/525815654.db2.gz HMUQZXXFLVKIPR-ZKIDJSGLSA-N 1 3 348.556 2.989 20 0 EFADHO CC(C)(C)c1nc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000420322488 534897168 /nfs/dbraw/zinc/89/71/68/534897168.db2.gz SLXKDWRKOMCVHB-OAHLLOKOSA-N 1 3 336.549 2.558 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000074678848 526096051 /nfs/dbraw/zinc/09/60/51/526096051.db2.gz GTNJNOHPJVIRHG-MRXNPFEDSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000065541523 526247858 /nfs/dbraw/zinc/24/78/58/526247858.db2.gz KMHAFJUXPZWFKB-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000065541523 526247863 /nfs/dbraw/zinc/24/78/63/526247863.db2.gz KMHAFJUXPZWFKB-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCCCC1 ZINC000237927292 527128153 /nfs/dbraw/zinc/12/81/53/527128153.db2.gz OGCFMDZSJVXWNI-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO CCCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000171679004 527893484 /nfs/dbraw/zinc/89/34/84/527893484.db2.gz SRISMQWBNNTOJW-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000174667137 527977938 /nfs/dbraw/zinc/97/79/38/527977938.db2.gz IDKKRIMJOAATCN-UHFFFAOYSA-N 1 3 331.460 2.956 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000174667137 527977941 /nfs/dbraw/zinc/97/79/41/527977941.db2.gz IDKKRIMJOAATCN-UHFFFAOYSA-N 1 3 331.460 2.956 20 0 EFADHO CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159039693 528013073 /nfs/dbraw/zinc/01/30/73/528013073.db2.gz XQDVLUKPLCWBGL-QHAWAJNXSA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159039693 528013076 /nfs/dbraw/zinc/01/30/76/528013076.db2.gz XQDVLUKPLCWBGL-QHAWAJNXSA-N 1 3 346.515 2.759 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)CC1 ZINC000189708906 528233885 /nfs/dbraw/zinc/23/38/85/528233885.db2.gz UJKGNLBHMCYRJC-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000166435906 528254057 /nfs/dbraw/zinc/25/40/57/528254057.db2.gz WZJSWGWUCUGETB-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000166246409 528270923 /nfs/dbraw/zinc/27/09/23/528270923.db2.gz LNWDGYFQCDOANS-OAHLLOKOSA-N 1 3 345.409 2.943 20 0 EFADHO CCCc1cccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000186918990 528632301 /nfs/dbraw/zinc/63/23/01/528632301.db2.gz PPNYIKJDZNXLJB-UHFFFAOYSA-N 1 3 331.504 2.529 20 0 EFADHO CC(C)N1CCC[C@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000178912298 529024149 /nfs/dbraw/zinc/02/41/49/529024149.db2.gz KDDGDQKTOZDGER-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178004011 529145420 /nfs/dbraw/zinc/14/54/20/529145420.db2.gz CJDPJYYNAFRDAF-QGZVFWFLSA-N 1 3 326.488 2.913 20 0 EFADHO CC[C@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000176258993 529239237 /nfs/dbraw/zinc/23/92/37/529239237.db2.gz VNMRNHUDWTVIEB-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000236655887 534931031 /nfs/dbraw/zinc/93/10/31/534931031.db2.gz VJWFWEVSTXHLKH-UHFFFAOYSA-N 1 3 331.504 2.841 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000236677369 534932923 /nfs/dbraw/zinc/93/29/23/534932923.db2.gz ORGMFBLIRPTOQN-HNNXBMFYSA-N 1 3 337.533 2.841 20 0 EFADHO CC(C)O[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344124533 534932890 /nfs/dbraw/zinc/93/28/90/534932890.db2.gz XDHVNAWPCDLCCP-ROUUACIJSA-N 1 3 335.492 2.704 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245866 534941435 /nfs/dbraw/zinc/94/14/35/534941435.db2.gz ZJLRQQDSZXTIEM-QFBILLFUSA-N 1 3 346.519 2.841 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245866 534941442 /nfs/dbraw/zinc/94/14/42/534941442.db2.gz ZJLRQQDSZXTIEM-QFBILLFUSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCCCCC1 ZINC000356275212 535003743 /nfs/dbraw/zinc/00/37/43/535003743.db2.gz DOJUVLXRIIKRNT-AEFFLSMTSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794580 535020788 /nfs/dbraw/zinc/02/07/88/535020788.db2.gz HHOREVZCIIKJHA-WMZOPIPTSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794580 535020796 /nfs/dbraw/zinc/02/07/96/535020796.db2.gz HHOREVZCIIKJHA-WMZOPIPTSA-N 1 3 349.494 2.883 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000418438436 535026221 /nfs/dbraw/zinc/02/62/21/535026221.db2.gz DTQFVEIDYWELJW-GOSISDBHSA-N 1 3 334.508 2.586 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000355931842 535058995 /nfs/dbraw/zinc/05/89/95/535058995.db2.gz CLKQNFJWNWBHQB-QZTJIDSGSA-N 1 3 340.556 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000359667688 535131997 /nfs/dbraw/zinc/13/19/97/535131997.db2.gz PIWRGRULZDAWFH-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000359718261 535138445 /nfs/dbraw/zinc/13/84/45/535138445.db2.gz PALQCBAHTQLCQX-OALUTQOASA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000359718261 535138449 /nfs/dbraw/zinc/13/84/49/535138449.db2.gz PALQCBAHTQLCQX-OALUTQOASA-N 1 3 331.504 2.599 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCCC1 ZINC000422139344 535141523 /nfs/dbraw/zinc/14/15/23/535141523.db2.gz BWVZQNKNIQZFOB-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418441452 535186538 /nfs/dbraw/zinc/18/65/38/535186538.db2.gz RPFDYJMBRUGANB-QGZVFWFLSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCCc3ccncc3)CC2)CC1 ZINC000360491111 535196616 /nfs/dbraw/zinc/19/66/16/535196616.db2.gz MEGDVRSCMVETDD-UHFFFAOYSA-N 1 3 330.520 2.505 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236709649 535214478 /nfs/dbraw/zinc/21/44/78/535214478.db2.gz XAIYOUIWSIKORZ-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418415582 535275675 /nfs/dbraw/zinc/27/56/75/535275675.db2.gz NYFDTLZXAVNSRM-SFHVURJKSA-N 1 3 346.519 2.666 20 0 EFADHO CC[NH2+]CC1CCN(Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000435380644 535459946 /nfs/dbraw/zinc/45/99/46/535459946.db2.gz SGFVFYIPMKNYKZ-UHFFFAOYSA-N 1 3 348.487 2.677 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347781723 535507363 /nfs/dbraw/zinc/50/73/63/535507363.db2.gz VGWFPXIFEXHGIL-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347781723 535507368 /nfs/dbraw/zinc/50/73/68/535507368.db2.gz VGWFPXIFEXHGIL-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347650375 535577770 /nfs/dbraw/zinc/57/77/70/535577770.db2.gz HRRGFGPVBXRDCE-HKUYNNGSSA-N 1 3 329.488 2.920 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)c(OC)c1 ZINC000349035104 535595479 /nfs/dbraw/zinc/59/54/79/535595479.db2.gz GOMNMBGKZABMAK-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(C)c(OC)c1 ZINC000349035104 535595481 /nfs/dbraw/zinc/59/54/81/535595481.db2.gz GOMNMBGKZABMAK-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000359226373 535606539 /nfs/dbraw/zinc/60/65/39/535606539.db2.gz KJDHBWSHFLCYKA-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNCc2cc(C(=O)OC)n(C)c2)c1 ZINC000347875362 535609441 /nfs/dbraw/zinc/60/94/41/535609441.db2.gz IBFNIAUFDIFGKL-UHFFFAOYSA-N 1 3 343.471 2.943 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000236821044 535652875 /nfs/dbraw/zinc/65/28/75/535652875.db2.gz UXSRWCXFWARXRN-IBGZPJMESA-N 1 3 331.504 2.966 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)CC(C)C ZINC000339605617 535656761 /nfs/dbraw/zinc/65/67/61/535656761.db2.gz VKNUFCYZOURDJF-GOSISDBHSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000343507149 535693912 /nfs/dbraw/zinc/69/39/12/535693912.db2.gz HQBXEGZNZLBFQV-GOSISDBHSA-N 1 3 349.494 2.829 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000346421131 535720913 /nfs/dbraw/zinc/72/09/13/535720913.db2.gz SJOWFQKQCYDXJZ-YLJYHZDGSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000346421131 535720920 /nfs/dbraw/zinc/72/09/20/535720920.db2.gz SJOWFQKQCYDXJZ-YLJYHZDGSA-N 1 3 330.520 2.576 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000353577930 535893160 /nfs/dbraw/zinc/89/31/60/535893160.db2.gz TZGSDUJNWKDVBJ-UHFFFAOYSA-N 1 3 346.450 2.758 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@@H]1CC1(C)C ZINC000414086909 535914894 /nfs/dbraw/zinc/91/48/94/535914894.db2.gz HOUJNUFBUCMTDA-ROUUACIJSA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000342415569 535920675 /nfs/dbraw/zinc/92/06/75/535920675.db2.gz FBLJSRZURGYRNN-LJQANCHMSA-N 1 3 325.456 2.669 20 0 EFADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000360210345 535998503 /nfs/dbraw/zinc/99/85/03/535998503.db2.gz XFSLMWCYUQNEBZ-LJQANCHMSA-N 1 3 343.446 2.920 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000359540603 536175074 /nfs/dbraw/zinc/17/50/74/536175074.db2.gz COCDDFAMCABTIG-DOTOQJQBSA-N 1 3 335.492 2.945 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435612149 536306221 /nfs/dbraw/zinc/30/62/21/536306221.db2.gz FCOCSCRJAXZQLW-PKOBYXMFSA-N 1 3 329.488 2.644 20 0 EFADHO CN(CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000359215517 536323211 /nfs/dbraw/zinc/32/32/11/536323211.db2.gz IAYSEGZSGXMIQX-KRWDZBQOSA-N 1 3 335.879 2.767 20 0 EFADHO CN(CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000359215522 536323496 /nfs/dbraw/zinc/32/34/96/536323496.db2.gz IAYSEGZSGXMIQX-QGZVFWFLSA-N 1 3 335.879 2.767 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014064 536390237 /nfs/dbraw/zinc/39/02/37/536390237.db2.gz WEIUECRJOSONAZ-OALUTQOASA-N 1 3 332.488 2.591 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418352209 536445715 /nfs/dbraw/zinc/44/57/15/536445715.db2.gz MKBOTWHUAUVNLK-IBGZPJMESA-N 1 3 346.519 2.841 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425348673 536480270 /nfs/dbraw/zinc/48/02/70/536480270.db2.gz CGANHASXOMUMAT-KRWDZBQOSA-N 1 3 327.476 2.752 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425348673 536480273 /nfs/dbraw/zinc/48/02/73/536480273.db2.gz CGANHASXOMUMAT-KRWDZBQOSA-N 1 3 327.476 2.752 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425348673 536480276 /nfs/dbraw/zinc/48/02/76/536480276.db2.gz CGANHASXOMUMAT-KRWDZBQOSA-N 1 3 327.476 2.752 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425348673 536480277 /nfs/dbraw/zinc/48/02/77/536480277.db2.gz CGANHASXOMUMAT-KRWDZBQOSA-N 1 3 327.476 2.752 20 0 EFADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCCCC1 ZINC000359668766 536681067 /nfs/dbraw/zinc/68/10/67/536681067.db2.gz DBLOMWQLDNOPPP-IBGZPJMESA-N 1 3 332.488 2.692 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000421842130 536709660 /nfs/dbraw/zinc/70/96/60/536709660.db2.gz MQZLSZGZCFNMGI-APWZRJJASA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261775199 545621137 /nfs/dbraw/zinc/62/11/37/545621137.db2.gz OSHBRGYTACUMCC-VDZJLULYSA-N 1 3 329.488 2.846 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000281524269 545662749 /nfs/dbraw/zinc/66/27/49/545662749.db2.gz HYAIIIKTIBFHQA-FUHWJXTLSA-N 1 3 330.476 2.880 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000281524272 545663730 /nfs/dbraw/zinc/66/37/30/545663730.db2.gz HYAIIIKTIBFHQA-SJLPKXTDSA-N 1 3 330.476 2.880 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000333333067 545874882 /nfs/dbraw/zinc/87/48/82/545874882.db2.gz WNLOXZPCNTTYMD-KVIJGQROSA-N 1 3 346.519 2.625 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000339259558 545927281 /nfs/dbraw/zinc/92/72/81/545927281.db2.gz WZXGSNCVRJIAJC-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000339259558 545927284 /nfs/dbraw/zinc/92/72/84/545927284.db2.gz WZXGSNCVRJIAJC-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000339259185 545927317 /nfs/dbraw/zinc/92/73/17/545927317.db2.gz WZXGSNCVRJIAJC-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000339259185 545927321 /nfs/dbraw/zinc/92/73/21/545927321.db2.gz WZXGSNCVRJIAJC-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000343364224 545957411 /nfs/dbraw/zinc/95/74/11/545957411.db2.gz AWARQDHAPATJJC-OXJNMPFZSA-N 1 3 346.519 2.977 20 0 EFADHO CCn1nccc1[C@@H]1OCC[C@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000343364224 545957416 /nfs/dbraw/zinc/95/74/16/545957416.db2.gz AWARQDHAPATJJC-OXJNMPFZSA-N 1 3 346.519 2.977 20 0 EFADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000351143177 546039862 /nfs/dbraw/zinc/03/98/62/546039862.db2.gz KDQZVEQNUKULLV-DEPCRRQNSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000351143177 546039863 /nfs/dbraw/zinc/03/98/63/546039863.db2.gz KDQZVEQNUKULLV-DEPCRRQNSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H]1C[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000353207943 546058052 /nfs/dbraw/zinc/05/80/52/546058052.db2.gz ZMJDPJJPLZSKRS-JXFKEZNVSA-N 1 3 341.499 2.813 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCCn1ccccc1=O ZINC000390885744 546164060 /nfs/dbraw/zinc/16/40/60/546164060.db2.gz YBPGSKJZZXSLHR-LJQANCHMSA-N 1 3 339.483 2.739 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCCn1ccccc1=O ZINC000390885744 546164066 /nfs/dbraw/zinc/16/40/66/546164066.db2.gz YBPGSKJZZXSLHR-LJQANCHMSA-N 1 3 339.483 2.739 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)CN1Cc1ccccc1 ZINC000397979906 546170829 /nfs/dbraw/zinc/17/08/29/546170829.db2.gz LZQMUNOGUWQGJX-LPHOPBHVSA-N 1 3 349.478 2.725 20 0 EFADHO O[C@@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCCC1(F)F ZINC000414309151 546189779 /nfs/dbraw/zinc/18/97/79/546189779.db2.gz XHXWMDZMAVPHMF-ZWKOTPCHSA-N 1 3 338.442 2.832 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414931959 546194085 /nfs/dbraw/zinc/19/40/85/546194085.db2.gz VCWLKPOLXDRXHT-YUTCNCBUSA-N 1 3 339.867 2.925 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414931959 546194092 /nfs/dbraw/zinc/19/40/92/546194092.db2.gz VCWLKPOLXDRXHT-YUTCNCBUSA-N 1 3 339.867 2.925 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414934882 546194918 /nfs/dbraw/zinc/19/49/18/546194918.db2.gz YHGBCFHWEHFVAT-COXVUDFISA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414934882 546194922 /nfs/dbraw/zinc/19/49/22/546194922.db2.gz YHGBCFHWEHFVAT-COXVUDFISA-N 1 3 337.895 2.937 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850842 546211678 /nfs/dbraw/zinc/21/16/78/546211678.db2.gz XTLIWGVTUKUKDH-XGXHKWSGSA-N 1 3 344.503 2.609 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)CC[NH2+]C)c1ccc(Cl)cc1 ZINC000418183265 546214250 /nfs/dbraw/zinc/21/42/50/546214250.db2.gz OCOMLYCVNGCZRK-INIZCTEOSA-N 1 3 340.899 2.584 20 0 EFADHO C[C@@H]1CN(CCOC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490633037 546279566 /nfs/dbraw/zinc/27/95/66/546279566.db2.gz WDTBGEAOOVBWKO-UYAOXDASSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CN(CCOC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490633036 546279603 /nfs/dbraw/zinc/27/96/03/546279603.db2.gz WDTBGEAOOVBWKO-QUCCMNQESA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCC(C)CC1 ZINC000655688817 546533870 /nfs/dbraw/zinc/53/38/70/546533870.db2.gz JUBGUKMIFCMOBF-WOJBJXKFSA-N 1 3 337.552 2.586 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655690247 546535131 /nfs/dbraw/zinc/53/51/31/546535131.db2.gz JUHIFZMSOCCDPS-SJORKVTESA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655690332 546535488 /nfs/dbraw/zinc/53/54/88/546535488.db2.gz MHCOLNMWARIRHW-PMACEKPBSA-N 1 3 331.504 2.522 20 0 EFADHO Cc1ccc([C@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)N2CCCC2)o1 ZINC000655704659 546541516 /nfs/dbraw/zinc/54/15/16/546541516.db2.gz HOMWXMWNHFQXGJ-MOPGFXCFSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655703724 546541672 /nfs/dbraw/zinc/54/16/72/546541672.db2.gz UIJBXVZDIQHEOH-RTWAWAEBSA-N 1 3 345.531 2.831 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC2CCN([C@@H]3CCOC3)CC2)c1 ZINC000655753223 546566852 /nfs/dbraw/zinc/56/68/52/546566852.db2.gz ZUFJBMRGSAUCKH-LJQANCHMSA-N 1 3 347.503 2.682 20 0 EFADHO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN1C1CCCCC1 ZINC000655762141 546570745 /nfs/dbraw/zinc/57/07/45/546570745.db2.gz AZIDHSVPFRJWGK-VQTJNVASSA-N 1 3 335.536 2.626 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000655907511 546632204 /nfs/dbraw/zinc/63/22/04/546632204.db2.gz KIALRFSLRHVRQK-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655908030 546632234 /nfs/dbraw/zinc/63/22/34/546632234.db2.gz QYHXXEIGHCZYQT-ROUUACIJSA-N 1 3 330.476 2.935 20 0 EFADHO Fc1ccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)c(F)c1 ZINC000655947200 546649530 /nfs/dbraw/zinc/64/95/30/546649530.db2.gz PMVUDFABILNGKS-UHFFFAOYSA-N 1 3 337.458 2.515 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655963958 546653090 /nfs/dbraw/zinc/65/30/90/546653090.db2.gz VGBHHVXZAKQMMN-QZTJIDSGSA-N 1 3 336.524 2.615 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000655973112 546655823 /nfs/dbraw/zinc/65/58/23/546655823.db2.gz CBHJLHAOCFYGSF-ZSYWTGECSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000656199060 546718154 /nfs/dbraw/zinc/71/81/54/546718154.db2.gz HCGQWSMCMDFRCI-ADAWSYLGSA-N 1 3 333.451 2.737 20 0 EFADHO COCCOc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786723 546923715 /nfs/dbraw/zinc/92/37/15/546923715.db2.gz WZEDAOFKUSYEFC-IBGZPJMESA-N 1 3 332.488 2.923 20 0 EFADHO C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)c2cc(F)ccc2CN1 ZINC000656786172 546923849 /nfs/dbraw/zinc/92/38/49/546923849.db2.gz LPYMBAWKELLUNA-CQSZACIVSA-N 1 3 325.431 2.970 20 0 EFADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2cccnc2)n1 ZINC000656786698 546924417 /nfs/dbraw/zinc/92/44/17/546924417.db2.gz WNZXOGGUAGOVDU-KRWDZBQOSA-N 1 3 339.487 2.694 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(N)CCCC1 ZINC000656789506 546925547 /nfs/dbraw/zinc/92/55/47/546925547.db2.gz PFLVDLWLRQVYDB-GFCCVEGCSA-N 1 3 339.867 2.927 20 0 EFADHO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000657319429 547108673 /nfs/dbraw/zinc/10/86/73/547108673.db2.gz YNRKYZBVZDYFFY-HXUWFJFHSA-N 1 3 330.472 2.818 20 0 EFADHO c1csc(CN2CCC(C[NH2+]Cc3cnc4n3CCC4)CC2)c1 ZINC000657337998 547117814 /nfs/dbraw/zinc/11/78/14/547117814.db2.gz FTYIYNJUKUDMAQ-UHFFFAOYSA-N 1 3 330.501 2.893 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657346554 547124094 /nfs/dbraw/zinc/12/40/94/547124094.db2.gz GLLGACUTIRSJKW-INIZCTEOSA-N 1 3 349.494 2.730 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cc(F)ccc2OC(F)F)CC1 ZINC000657350695 547125159 /nfs/dbraw/zinc/12/51/59/547125159.db2.gz XEEWABVRTKDBFQ-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cc(F)ccc2OC(F)F)CC1 ZINC000657350695 547125163 /nfs/dbraw/zinc/12/51/63/547125163.db2.gz XEEWABVRTKDBFQ-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC000657386302 547140710 /nfs/dbraw/zinc/14/07/10/547140710.db2.gz DLACYVKDFJNFKK-OXJNMPFZSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CNC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000657386302 547140715 /nfs/dbraw/zinc/14/07/15/547140715.db2.gz DLACYVKDFJNFKK-OXJNMPFZSA-N 1 3 346.519 2.884 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cncc(Br)c1C ZINC000657390084 547141231 /nfs/dbraw/zinc/14/12/31/547141231.db2.gz SHRPFGVIXHGCML-AWEZNQCLSA-N 1 3 344.297 2.599 20 0 EFADHO COCc1csc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000657400777 547147379 /nfs/dbraw/zinc/14/73/79/547147379.db2.gz NPLYDBKSCPWHDF-ROUUACIJSA-N 1 3 338.517 2.752 20 0 EFADHO COc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1O ZINC000657611653 547228419 /nfs/dbraw/zinc/22/84/19/547228419.db2.gz BERUJXNBSRTICJ-UHFFFAOYSA-N 1 3 341.455 2.798 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCOC4(CCC4)C3)CC2)ccn1 ZINC000657612623 547228605 /nfs/dbraw/zinc/22/86/05/547228605.db2.gz BMFMJEUFLIIZRW-IBGZPJMESA-N 1 3 329.488 2.985 20 0 EFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@@]1(O)CCCOC1 ZINC000657767105 547278842 /nfs/dbraw/zinc/27/88/42/547278842.db2.gz UKQLTKFYBRLOGK-HXUWFJFHSA-N 1 3 338.536 2.941 20 0 EFADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[C@@]1(O)CCCOC1 ZINC000657767105 547278850 /nfs/dbraw/zinc/27/88/50/547278850.db2.gz UKQLTKFYBRLOGK-HXUWFJFHSA-N 1 3 338.536 2.941 20 0 EFADHO COCCOc1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812868 547292598 /nfs/dbraw/zinc/29/25/98/547292598.db2.gz IYBKBFMDGGAWII-UHFFFAOYSA-N 1 3 332.488 2.923 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3ccncc3s2)CC1 ZINC000657834494 547297271 /nfs/dbraw/zinc/29/72/71/547297271.db2.gz GGSHEDZNSKNCGH-HNNXBMFYSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000657838538 547298332 /nfs/dbraw/zinc/29/83/32/547298332.db2.gz VKZAJXCXMXLMPN-IRXDYDNUSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000657838538 547298338 /nfs/dbraw/zinc/29/83/38/547298338.db2.gz VKZAJXCXMXLMPN-IRXDYDNUSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000657838124 547298701 /nfs/dbraw/zinc/29/87/01/547298701.db2.gz YZZRGPAXCIXEND-DLBZAZTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657838124 547298706 /nfs/dbraw/zinc/29/87/06/547298706.db2.gz YZZRGPAXCIXEND-DLBZAZTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C(F)F)nc1 ZINC000657836320 547299139 /nfs/dbraw/zinc/29/91/39/547299139.db2.gz ROZRYTWMWRZELM-CQSZACIVSA-N 1 3 326.435 2.697 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000657881912 547309253 /nfs/dbraw/zinc/30/92/53/547309253.db2.gz ZNKYMNMRJYEIAS-KRWDZBQOSA-N 1 3 327.476 2.832 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C(F)F)nc1 ZINC000657897528 547312734 /nfs/dbraw/zinc/31/27/34/547312734.db2.gz HHBZIGGTGYMABD-ZDUSSCGKSA-N 1 3 326.435 2.696 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)cc1 ZINC000657920056 547316744 /nfs/dbraw/zinc/31/67/44/547316744.db2.gz VKWYEHQTBZAHRU-CEXWTWQISA-N 1 3 343.515 2.892 20 0 EFADHO CCOC1CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000657969291 547326158 /nfs/dbraw/zinc/32/61/58/547326158.db2.gz LWAJYCKTQPYSGS-GPJFCIFZSA-N 1 3 332.488 2.691 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)CC1 ZINC000658008084 547335027 /nfs/dbraw/zinc/33/50/27/547335027.db2.gz ZUAUIGPJLOOKBU-QGZVFWFLSA-N 1 3 330.472 2.961 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000658017688 547337280 /nfs/dbraw/zinc/33/72/80/547337280.db2.gz AEFOUCGUHZZQGG-IEBWSBKVSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@H](Cn1cncn1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658017688 547337282 /nfs/dbraw/zinc/33/72/82/547337282.db2.gz AEFOUCGUHZZQGG-IEBWSBKVSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@H](Cn1cncn1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658017688 547337284 /nfs/dbraw/zinc/33/72/84/547337284.db2.gz AEFOUCGUHZZQGG-IEBWSBKVSA-N 1 3 327.476 2.559 20 0 EFADHO c1cc(CN2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)ccn1 ZINC000658162845 547377214 /nfs/dbraw/zinc/37/72/14/547377214.db2.gz GTHUWUPCVNFHJH-UHFFFAOYSA-N 1 3 328.504 2.510 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658163768 547377266 /nfs/dbraw/zinc/37/72/66/547377266.db2.gz AVRMZJYMUPIQGE-LJQANCHMSA-N 1 3 339.487 2.694 20 0 EFADHO Cc1ncncc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167531 547378368 /nfs/dbraw/zinc/37/83/68/547378368.db2.gz YJHSELYBHXZGTL-HNNXBMFYSA-N 1 3 325.460 2.743 20 0 EFADHO CC(C)N1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658166790 547378929 /nfs/dbraw/zinc/37/89/29/547378929.db2.gz LXJGBSYGTUMIIH-UHFFFAOYSA-N 1 3 330.520 2.756 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320134 547418209 /nfs/dbraw/zinc/41/82/09/547418209.db2.gz NNSPLAYZACNOIC-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320134 547418213 /nfs/dbraw/zinc/41/82/13/547418213.db2.gz NNSPLAYZACNOIC-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671684558 547647243 /nfs/dbraw/zinc/64/72/43/547647243.db2.gz PCOIHDLLCNKVAP-FQEVSTJZSA-N 1 3 344.547 2.661 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000672884372 547821139 /nfs/dbraw/zinc/82/11/39/547821139.db2.gz FEHKEBZLMIBOLN-TXPKVOOTSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000673132068 547863173 /nfs/dbraw/zinc/86/31/73/547863173.db2.gz LFRQLMFHWFUYAJ-BHIYHBOVSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000674307923 548061090 /nfs/dbraw/zinc/06/10/90/548061090.db2.gz LEBQTOAFOORPRN-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000675200154 548229401 /nfs/dbraw/zinc/22/94/01/548229401.db2.gz PZHXSSVLLGVMKH-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000675871395 548366494 /nfs/dbraw/zinc/36/64/94/548366494.db2.gz DUZWSSALSVLIOC-UWJYYQICSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)N(C)C ZINC000676133051 548416319 /nfs/dbraw/zinc/41/63/19/548416319.db2.gz VVLZAQWZLWOTOL-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1)[NH+](C)C ZINC000676133051 548416321 /nfs/dbraw/zinc/41/63/21/548416321.db2.gz VVLZAQWZLWOTOL-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000677477663 548710983 /nfs/dbraw/zinc/71/09/83/548710983.db2.gz RDUAGOOALMUIBF-UHFFFAOYSA-N 1 3 334.508 2.907 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCc2nc(C(C)=O)c(C)[nH]2)CC1 ZINC000677477663 548710985 /nfs/dbraw/zinc/71/09/85/548710985.db2.gz RDUAGOOALMUIBF-UHFFFAOYSA-N 1 3 334.508 2.907 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000677477663 548710990 /nfs/dbraw/zinc/71/09/90/548710990.db2.gz RDUAGOOALMUIBF-UHFFFAOYSA-N 1 3 334.508 2.907 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCc2nc(C)c(C(C)=O)[nH]2)CC1 ZINC000677477663 548710993 /nfs/dbraw/zinc/71/09/93/548710993.db2.gz RDUAGOOALMUIBF-UHFFFAOYSA-N 1 3 334.508 2.907 20 0 EFADHO C[C@@](O)(CNCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000677662689 548743834 /nfs/dbraw/zinc/74/38/34/548743834.db2.gz PWVAIYFEABBTCO-MRXNPFEDSA-N 1 3 346.393 2.564 20 0 EFADHO CCN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000678261752 548881990 /nfs/dbraw/zinc/88/19/90/548881990.db2.gz RERPGBSOZAIJDO-SFHVURJKSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000678261361 548882214 /nfs/dbraw/zinc/88/22/14/548882214.db2.gz KTFUNJAQBFNJQW-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1n1ccnc1 ZINC000678337658 548903356 /nfs/dbraw/zinc/90/33/56/548903356.db2.gz ZSYHXUFBGKRCOR-FXAWDEMLSA-N 1 3 342.487 2.907 20 0 EFADHO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000678591581 548957893 /nfs/dbraw/zinc/95/78/93/548957893.db2.gz SDQUQMVLBVNQGT-HNNXBMFYSA-N 1 3 345.512 2.760 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000678772681 548985142 /nfs/dbraw/zinc/98/51/42/548985142.db2.gz OEHDYNIHDZQKPH-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C12CCCC2 ZINC000678923908 549017722 /nfs/dbraw/zinc/01/77/22/549017722.db2.gz FAIKRVSNYPXLTI-VQTJNVASSA-N 1 3 349.563 2.872 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000678927833 549018775 /nfs/dbraw/zinc/01/87/75/549018775.db2.gz LMOLCCVLFXJWKH-FXAWDEMLSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000679045336 549044808 /nfs/dbraw/zinc/04/48/08/549044808.db2.gz ZFLFENFTLFGVIG-RRQGHBQHSA-N 1 3 344.421 2.841 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000679045335 549044853 /nfs/dbraw/zinc/04/48/53/549044853.db2.gz ZFLFENFTLFGVIG-JQFCIGGWSA-N 1 3 344.421 2.841 20 0 EFADHO Cc1cc(C[NH2+]CCCN2CCCN(C)CC2)cc2cccnc12 ZINC000680119882 549258716 /nfs/dbraw/zinc/25/87/16/549258716.db2.gz NWRCNYPHSGJELV-UHFFFAOYSA-N 1 3 326.488 2.660 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267897 549284199 /nfs/dbraw/zinc/28/41/99/549284199.db2.gz DRJOJOGWHHFIOW-HSALFYBXSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267897 549284202 /nfs/dbraw/zinc/28/42/02/549284202.db2.gz DRJOJOGWHHFIOW-HSALFYBXSA-N 1 3 343.515 2.744 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267657 549284578 /nfs/dbraw/zinc/28/45/78/549284578.db2.gz ATMXUXSUXKDRHD-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267657 549284581 /nfs/dbraw/zinc/28/45/81/549284581.db2.gz ATMXUXSUXKDRHD-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680271442 549284991 /nfs/dbraw/zinc/28/49/91/549284991.db2.gz XDWAXVMEHPOZGS-MTQWCTHYSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680271442 549284993 /nfs/dbraw/zinc/28/49/93/549284993.db2.gz XDWAXVMEHPOZGS-MTQWCTHYSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000680399614 549316329 /nfs/dbraw/zinc/31/63/29/549316329.db2.gz IJQAXEJIXYHFTP-HZPDHXFCSA-N 1 3 335.536 2.924 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCCOC(C)(C)C)CC2)CC1 ZINC000680431893 549322057 /nfs/dbraw/zinc/32/20/57/549322057.db2.gz OAKMYEMGZGRXRM-UHFFFAOYSA-N 1 3 325.541 2.541 20 0 EFADHO CC1(CO)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000680830194 549395399 /nfs/dbraw/zinc/39/53/99/549395399.db2.gz LENZNGCTMQNUJJ-UHFFFAOYSA-N 1 3 332.488 2.756 20 0 EFADHO CN(Cc1ccc2ncccc2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681167266 549476874 /nfs/dbraw/zinc/47/68/74/549476874.db2.gz SNIZNXQUFGJFJD-HXUWFJFHSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1ccc2ncccc2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681167266 549476879 /nfs/dbraw/zinc/47/68/79/549476879.db2.gz SNIZNXQUFGJFJD-HXUWFJFHSA-N 1 3 338.499 2.835 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000681298984 549504797 /nfs/dbraw/zinc/50/47/97/549504797.db2.gz ZCPNTMBROSWVBJ-WMZOPIPTSA-N 1 3 331.504 2.886 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000681790711 549614645 /nfs/dbraw/zinc/61/46/45/549614645.db2.gz NBNKTRSAZGGXOU-HZPDHXFCSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@@H](c1nc2ccccc2s1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000682703523 549792073 /nfs/dbraw/zinc/79/20/73/549792073.db2.gz INGGPAVFUYQOGA-HNNXBMFYSA-N 1 3 344.528 2.975 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCC(F)(F)CC1 ZINC000682733648 549798372 /nfs/dbraw/zinc/79/83/72/549798372.db2.gz ZJKGBVDFCIBCQY-GOEBONIOSA-N 1 3 329.479 2.959 20 0 EFADHO CN(C)CCOc1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000682953789 549830415 /nfs/dbraw/zinc/83/04/15/549830415.db2.gz SMVNZIKEGFJLJX-UHFFFAOYSA-N 1 3 333.520 2.839 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000683078390 549847719 /nfs/dbraw/zinc/84/77/19/549847719.db2.gz DUENHGXYHGUYPU-OALUTQOASA-N 1 3 331.435 2.774 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1 ZINC000683206907 549863621 /nfs/dbraw/zinc/86/36/21/549863621.db2.gz LWEGJJZSQPAIKW-KRWDZBQOSA-N 1 3 326.440 2.590 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000683694284 549931810 /nfs/dbraw/zinc/93/18/10/549931810.db2.gz PDNUIRMYULUMLV-CQSZACIVSA-N 1 3 344.421 2.717 20 0 EFADHO CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684569173 550059799 /nfs/dbraw/zinc/05/97/99/550059799.db2.gz YJUSIRVWMAULMZ-HNNXBMFYSA-N 1 3 328.460 2.626 20 0 EFADHO CN1CCC(Cc2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)CC1 ZINC000685240828 550139131 /nfs/dbraw/zinc/13/91/31/550139131.db2.gz BUUUDLTXFYRVLO-UHFFFAOYSA-N 1 3 344.459 2.561 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H]1CCOc2ccccc21 ZINC000685455877 550153836 /nfs/dbraw/zinc/15/38/36/550153836.db2.gz AHMYDEXHLUYEST-MOPGFXCFSA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@H]1CCOc2ccccc21 ZINC000685455877 550153838 /nfs/dbraw/zinc/15/38/38/550153838.db2.gz AHMYDEXHLUYEST-MOPGFXCFSA-N 1 3 345.531 2.901 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000685929879 550196500 /nfs/dbraw/zinc/19/65/00/550196500.db2.gz BAGNHLSDHIWXCR-JENIJYKNSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000685929879 550196503 /nfs/dbraw/zinc/19/65/03/550196503.db2.gz BAGNHLSDHIWXCR-JENIJYKNSA-N 1 3 346.519 2.850 20 0 EFADHO C/C(=C/c1ccccc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000755862479 575646542 /nfs/dbraw/zinc/64/65/42/575646542.db2.gz PEULZWVHTGEMDZ-PFONDFGASA-N 1 3 337.895 2.695 20 0 EFADHO COc1cccc2cc(CNCC3(O)CC[NH+](C(C)C)CC3)oc21 ZINC000760705045 576064353 /nfs/dbraw/zinc/06/43/53/576064353.db2.gz ZFQADXAEQVMXHQ-UHFFFAOYSA-N 1 3 332.444 2.766 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763754148 576395973 /nfs/dbraw/zinc/39/59/73/576395973.db2.gz MVCAXSMTOIRSSX-OGWHTMIXSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763754148 576395974 /nfs/dbraw/zinc/39/59/74/576395974.db2.gz MVCAXSMTOIRSSX-OGWHTMIXSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763754139 576396006 /nfs/dbraw/zinc/39/60/06/576396006.db2.gz MVCAXSMTOIRSSX-JFIYKMOQSA-N 1 3 342.483 2.828 20 0 EFADHO CC(C)N(CC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000764589438 576476054 /nfs/dbraw/zinc/47/60/54/576476054.db2.gz LUHWJDNESQVAIZ-CTNGQTDRSA-N 1 3 347.547 2.984 20 0 EFADHO COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000764774419 576502000 /nfs/dbraw/zinc/50/20/00/576502000.db2.gz WAPZCIRNQRVXJE-KRWDZBQOSA-N 1 3 336.476 2.590 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764805653 576505821 /nfs/dbraw/zinc/50/58/21/576505821.db2.gz IGVDFSNPKFWHDM-AZUAARDMSA-N 1 3 333.520 2.596 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765250046 577023224 /nfs/dbraw/zinc/02/32/24/577023224.db2.gz ASNVHXQVKZIQIK-OTWHNJEPSA-N 1 3 325.541 2.587 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765414907 577039438 /nfs/dbraw/zinc/03/94/38/577039438.db2.gz BNOJKERKMNJYFG-AZUAARDMSA-N 1 3 345.531 2.776 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765414907 577039441 /nfs/dbraw/zinc/03/94/41/577039441.db2.gz BNOJKERKMNJYFG-AZUAARDMSA-N 1 3 345.531 2.776 20 0 EFADHO COc1ccc2c(c1)[nH+]ccc2N1CCC(CN2CCOCC2)CC1 ZINC000765470368 577044870 /nfs/dbraw/zinc/04/48/70/577044870.db2.gz RMWXRSSNAUIEND-UHFFFAOYSA-N 1 3 341.455 2.792 20 0 EFADHO COc1ccc2c(c1)nccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000765513804 577049687 /nfs/dbraw/zinc/04/96/87/577049687.db2.gz DVPZPRNKRXBIHT-UHFFFAOYSA-N 1 3 327.428 2.544 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(-c2ccccc2)c1 ZINC000766458000 577152468 /nfs/dbraw/zinc/15/24/68/577152468.db2.gz UGCPBBOHMACEEH-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCNc3ncccn3)CC2)C1 ZINC000766517240 577160756 /nfs/dbraw/zinc/16/07/56/577160756.db2.gz MHSKPWIZRAFUAD-SJLPKXTDSA-N 1 3 331.508 2.911 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCNc3ncccn3)CC2)C1 ZINC000766517240 577160758 /nfs/dbraw/zinc/16/07/58/577160758.db2.gz MHSKPWIZRAFUAD-SJLPKXTDSA-N 1 3 331.508 2.911 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCCC1 ZINC000766771319 577181654 /nfs/dbraw/zinc/18/16/54/577181654.db2.gz CEUFJGBSGQLELL-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO COc1cccc2cc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)oc21 ZINC000767927144 577242950 /nfs/dbraw/zinc/24/29/50/577242950.db2.gz PNLVFFBCYFSYTB-ROUUACIJSA-N 1 3 344.455 2.909 20 0 EFADHO COc1cccc2cc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)oc21 ZINC000767927145 577242983 /nfs/dbraw/zinc/24/29/83/577242983.db2.gz PNLVFFBCYFSYTB-ZWKOTPCHSA-N 1 3 344.455 2.909 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1sccc1Br ZINC000397576334 577281139 /nfs/dbraw/zinc/28/11/39/577281139.db2.gz CLFNWGAAGVMSKQ-SNVBAGLBSA-N 1 3 333.295 2.618 20 0 EFADHO O=C(OCCN1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000770375042 577413484 /nfs/dbraw/zinc/41/34/84/577413484.db2.gz SDGARWOEQWAHOA-LJQANCHMSA-N 1 3 330.472 2.928 20 0 EFADHO O=C(OCCN1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000770375042 577413485 /nfs/dbraw/zinc/41/34/85/577413485.db2.gz SDGARWOEQWAHOA-LJQANCHMSA-N 1 3 330.472 2.928 20 0 EFADHO CC[NH+](CC)CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000772160660 581290628 /nfs/dbraw/zinc/29/06/28/581290628.db2.gz QNIDLNBOCGPFOK-HNNXBMFYSA-N 1 3 338.835 2.578 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000772875653 581376734 /nfs/dbraw/zinc/37/67/34/581376734.db2.gz UJWQQOIINRFQIA-FXUDXRNXSA-N 1 3 344.446 2.960 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)c1ccc(OCCN(C)C)cc1 ZINC000772948815 581383168 /nfs/dbraw/zinc/38/31/68/581383168.db2.gz PSIQPKZCFPMOFA-OAHLLOKOSA-N 1 3 335.492 2.757 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000773032869 581389454 /nfs/dbraw/zinc/38/94/54/581389454.db2.gz OVVVXIVALZAHCF-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000773032869 581389456 /nfs/dbraw/zinc/38/94/56/581389456.db2.gz OVVVXIVALZAHCF-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000773099880 581396258 /nfs/dbraw/zinc/39/62/58/581396258.db2.gz CMOZRSRRBAQTET-YYWHXJBOSA-N 1 3 346.515 2.547 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000773099880 581396259 /nfs/dbraw/zinc/39/62/59/581396259.db2.gz CMOZRSRRBAQTET-YYWHXJBOSA-N 1 3 346.515 2.547 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000773099877 581396328 /nfs/dbraw/zinc/39/63/28/581396328.db2.gz CMOZRSRRBAQTET-QMMLZNLJSA-N 1 3 346.515 2.547 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@]2(O)CCc3ccccc32)[C@H](C)C1 ZINC000773099877 581396330 /nfs/dbraw/zinc/39/63/30/581396330.db2.gz CMOZRSRRBAQTET-QMMLZNLJSA-N 1 3 346.515 2.547 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774651359 581496538 /nfs/dbraw/zinc/49/65/38/581496538.db2.gz VIKDUXKCOSEBEF-ZWKOTPCHSA-N 1 3 340.895 2.806 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000390640084 1249593305 /nfs/dbraw/zinc/59/33/05/1249593305.db2.gz KQTMYTMBRSZVPY-RDJZCZTQSA-N 1 3 340.895 2.537 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000390640084 1249593319 /nfs/dbraw/zinc/59/33/19/1249593319.db2.gz KQTMYTMBRSZVPY-RDJZCZTQSA-N 1 3 340.895 2.537 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001167836558 1249690243 /nfs/dbraw/zinc/69/02/43/1249690243.db2.gz ZNZFNBHFLWTUDY-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](CCC3=CCCCC3)CC2)C1 ZINC000981957541 1249740027 /nfs/dbraw/zinc/74/00/27/1249740027.db2.gz LCINQINMNVLXOW-SFHVURJKSA-N 1 3 333.520 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](CCC3=CCCCC3)CC2)C1 ZINC000981957541 1249740036 /nfs/dbraw/zinc/74/00/36/1249740036.db2.gz LCINQINMNVLXOW-SFHVURJKSA-N 1 3 333.520 2.753 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001211713789 1249917288 /nfs/dbraw/zinc/91/72/88/1249917288.db2.gz UEYLVWUMUQMDFU-INHTXZAOSA-N 1 3 349.906 2.665 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001167901718 1249983160 /nfs/dbraw/zinc/98/31/60/1249983160.db2.gz XLTMHWHEXUMZQV-HNNXBMFYSA-N 1 3 334.508 2.819 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001753728570 1249989200 /nfs/dbraw/zinc/98/92/00/1249989200.db2.gz CKHSKZOFTZEAFS-OLZOCXBDSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001753728570 1249989211 /nfs/dbraw/zinc/98/92/11/1249989211.db2.gz CKHSKZOFTZEAFS-OLZOCXBDSA-N 1 3 336.307 2.616 20 0 EFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070460 1248254930 /nfs/dbraw/zinc/25/49/30/1248254930.db2.gz NXXBASQRMOISKV-WCXIOVBPSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070460 1248254940 /nfs/dbraw/zinc/25/49/40/1248254940.db2.gz NXXBASQRMOISKV-WCXIOVBPSA-N 1 3 337.508 2.991 20 0 EFADHO Cn1c(Cl)nc(Cl)c1CNCC1CC[NH+](CC2CC2)CC1 ZINC000850421504 1250479347 /nfs/dbraw/zinc/47/93/47/1250479347.db2.gz YAVKIWXINFCRCQ-UHFFFAOYSA-N 1 3 331.291 2.939 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]CCCN2CCCC[C@@H]2C)CC1 ZINC000850422045 1250479438 /nfs/dbraw/zinc/47/94/38/1250479438.db2.gz DGTBGRSPLUPKPE-GTPINHCMSA-N 1 3 325.497 2.898 20 0 EFADHO c1[nH]nc2c1[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000850514052 1250518664 /nfs/dbraw/zinc/51/86/64/1250518664.db2.gz KZZZNGKHAPZTIO-SFHVURJKSA-N 1 3 325.460 2.684 20 0 EFADHO C[C@@H]1CC[C@H](NCCC2CCN(C(=O)OC(C)(C)C)CC2)C[NH2+]1 ZINC000703999348 1250720859 /nfs/dbraw/zinc/72/08/59/1250720859.db2.gz VFBZPOCONDLQQU-ZBFHGGJFSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613069 1250868031 /nfs/dbraw/zinc/86/80/31/1250868031.db2.gz FLLKCYGKASEONX-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613069 1250868033 /nfs/dbraw/zinc/86/80/33/1250868033.db2.gz FLLKCYGKASEONX-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO CCCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001755516786 1251118919 /nfs/dbraw/zinc/11/89/19/1251118919.db2.gz OVVOFYRNMSLFQM-MAUKXSAKSA-N 1 3 329.504 2.874 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003941106 1265564336 /nfs/dbraw/zinc/56/43/36/1265564336.db2.gz UWAXUJTXFTYQEL-FUHWJXTLSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001752807525 1251443956 /nfs/dbraw/zinc/44/39/56/1251443956.db2.gz IDUSOBKYWWVYGY-RUZMYDRRSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001752807523 1251444156 /nfs/dbraw/zinc/44/41/56/1251444156.db2.gz IDUSOBKYWWVYGY-QOCAVEGASA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CN(Cc2cccc(I)c2)C[C@H]1CC[NH3+] ZINC000723896042 1251526816 /nfs/dbraw/zinc/52/68/16/1251526816.db2.gz USJMXXXLXVUBPO-DGCLKSJQSA-N 1 3 344.240 2.708 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001003970907 1265616126 /nfs/dbraw/zinc/61/61/26/1265616126.db2.gz NQYMKGAOLREGQF-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001003970907 1265616134 /nfs/dbraw/zinc/61/61/34/1265616134.db2.gz NQYMKGAOLREGQF-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493375 1252058293 /nfs/dbraw/zinc/05/82/93/1252058293.db2.gz VUUZPPUUOKATMN-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493375 1252058301 /nfs/dbraw/zinc/05/83/01/1252058301.db2.gz VUUZPPUUOKATMN-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001003967216 1265631028 /nfs/dbraw/zinc/63/10/28/1265631028.db2.gz JNVOUCMYEUWIRY-MEQKGCOVSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001003967216 1265631048 /nfs/dbraw/zinc/63/10/48/1265631048.db2.gz JNVOUCMYEUWIRY-MEQKGCOVSA-N 1 3 341.499 2.622 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484112361 1252261716 /nfs/dbraw/zinc/26/17/16/1252261716.db2.gz FWAWDXFRXGLVRS-FQEVSTJZSA-N 1 3 340.471 2.543 20 0 EFADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001089734329 1252335665 /nfs/dbraw/zinc/33/56/65/1252335665.db2.gz OUADNTUDNCUKGP-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001089734329 1252335670 /nfs/dbraw/zinc/33/56/70/1252335670.db2.gz OUADNTUDNCUKGP-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001106910672 1252415784 /nfs/dbraw/zinc/41/57/84/1252415784.db2.gz JFKBGGRIVFBYKM-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC001106910716 1252426849 /nfs/dbraw/zinc/42/68/49/1252426849.db2.gz LHBOZNJJNLMTSJ-YVWKXTFCSA-N 1 3 343.515 2.700 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001484724508 1252809598 /nfs/dbraw/zinc/80/95/98/1252809598.db2.gz WSYUDLRIVUOFPB-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001484758262 1252928743 /nfs/dbraw/zinc/92/87/43/1252928743.db2.gz ABAUHNZOAKPFPK-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001484758262 1252928747 /nfs/dbraw/zinc/92/87/47/1252928747.db2.gz ABAUHNZOAKPFPK-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1sccc1Cl)C2 ZINC000922388099 1265886740 /nfs/dbraw/zinc/88/67/40/1265886740.db2.gz CBRHUPFBROWICC-VDERGJSUSA-N 1 3 328.909 2.971 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1sccc1Cl)C2 ZINC000922388099 1265886744 /nfs/dbraw/zinc/88/67/44/1265886744.db2.gz CBRHUPFBROWICC-VDERGJSUSA-N 1 3 328.909 2.971 20 0 EFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnc1Cl ZINC000922386593 1265898623 /nfs/dbraw/zinc/89/86/23/1265898623.db2.gz GLZBJVOWPZUOIX-KONPQCLYSA-N 1 3 337.895 2.613 20 0 EFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cnc1Cl ZINC000922386593 1265898632 /nfs/dbraw/zinc/89/86/32/1265898632.db2.gz GLZBJVOWPZUOIX-KONPQCLYSA-N 1 3 337.895 2.613 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995798891 1254708645 /nfs/dbraw/zinc/70/86/45/1254708645.db2.gz PRCUJMWKSYDOIP-SJORKVTESA-N 1 3 349.544 2.948 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1scnc1C1CC1)C2 ZINC000922389859 1265904500 /nfs/dbraw/zinc/90/45/00/1265904500.db2.gz XVCBXEVUOHOURQ-KNCCTNLNSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1scnc1C1CC1)C2 ZINC000922389859 1265904503 /nfs/dbraw/zinc/90/45/03/1265904503.db2.gz XVCBXEVUOHOURQ-KNCCTNLNSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995801940 1254711747 /nfs/dbraw/zinc/71/17/47/1254711747.db2.gz LSTFCWKYODXQQH-RTBURBONSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995873040 1254805715 /nfs/dbraw/zinc/80/57/15/1254805715.db2.gz PNHGSPYNMGMQCL-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995878285 1254809654 /nfs/dbraw/zinc/80/96/54/1254809654.db2.gz FAJLLLQAZIYGQQ-MOPGFXCFSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995896616 1254820786 /nfs/dbraw/zinc/82/07/86/1254820786.db2.gz PFVGRAPXGLDOAY-RTBURBONSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)CCC1 ZINC000995885293 1254832638 /nfs/dbraw/zinc/83/26/38/1254832638.db2.gz HVYQIFUDMPMLKQ-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)cs1 ZINC000995887849 1254837239 /nfs/dbraw/zinc/83/72/39/1254837239.db2.gz QCJOLZJJAKSNAM-MRXNPFEDSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)c1 ZINC000995919516 1254842003 /nfs/dbraw/zinc/84/20/03/1254842003.db2.gz ROQHUQMNILQLOR-LJQANCHMSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000995926403 1254847938 /nfs/dbraw/zinc/84/79/38/1254847938.db2.gz NGYQCUCHRBQRIV-ROUUACIJSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000995926392 1254848531 /nfs/dbraw/zinc/84/85/31/1254848531.db2.gz NGYQCUCHRBQRIV-MSOLQXFVSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000996249596 1255127059 /nfs/dbraw/zinc/12/70/59/1255127059.db2.gz RYFIEZMICOJYBF-ZWKOTPCHSA-N 1 3 349.563 2.980 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC2(C)C)c1 ZINC000996299666 1255183729 /nfs/dbraw/zinc/18/37/29/1255183729.db2.gz BYAKRESWSWNNMA-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000996300433 1255184484 /nfs/dbraw/zinc/18/44/84/1255184484.db2.gz MFAVSGUKOVQBSR-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000996300871 1255185404 /nfs/dbraw/zinc/18/54/04/1255185404.db2.gz OWJKIOJQZDSPQI-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996307469 1255192201 /nfs/dbraw/zinc/19/22/01/1255192201.db2.gz BSLSMMUHANDJNZ-SFHVURJKSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)ccc2C)C(C)(C)C1)N(C)C ZINC000996314669 1255196737 /nfs/dbraw/zinc/19/67/37/1255196737.db2.gz JUOOQKIEJJQLCL-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H](CC)N(C)C)CC2(C)C)c1 ZINC000996315392 1255197740 /nfs/dbraw/zinc/19/77/40/1255197740.db2.gz ORCNQSQZZWFPLO-OALUTQOASA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1)N(C)C ZINC000996315038 1255198067 /nfs/dbraw/zinc/19/80/67/1255198067.db2.gz LQXQLFKAZGILHP-ROUUACIJSA-N 1 3 331.504 2.662 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996379771 1255261181 /nfs/dbraw/zinc/26/11/81/1255261181.db2.gz ONQYXNVVPXZBQV-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000996667140 1255686848 /nfs/dbraw/zinc/68/68/48/1255686848.db2.gz TZWAGOQDLOQSKW-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996665517 1255701879 /nfs/dbraw/zinc/70/18/79/1255701879.db2.gz CSMVKHLHJVBUHM-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC000996665604 1255702682 /nfs/dbraw/zinc/70/26/82/1255702682.db2.gz NECSZLGAUXYPDL-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996669447 1255713488 /nfs/dbraw/zinc/71/34/88/1255713488.db2.gz FUCQCMXFAKAGNP-RTBURBONSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996675225 1255723122 /nfs/dbraw/zinc/72/31/22/1255723122.db2.gz FOLHUVUTBQHFRO-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996675523 1255723697 /nfs/dbraw/zinc/72/36/97/1255723697.db2.gz ZKUSFHPEPYHMDA-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996675291 1255723720 /nfs/dbraw/zinc/72/37/20/1255723720.db2.gz FTVASYRXEJDPIG-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996677435 1255727194 /nfs/dbraw/zinc/72/71/94/1255727194.db2.gz JNYMXTOMVJAUHA-OXQOHEQNSA-N 1 3 343.515 2.977 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000996678422 1255727988 /nfs/dbraw/zinc/72/79/88/1255727988.db2.gz NHPZAPDUKHZGDL-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1)N(C)C ZINC000996711680 1255809331 /nfs/dbraw/zinc/80/93/31/1255809331.db2.gz KLGBVISLSSHZOI-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(CNC(=O)C4(N(C)C)CCC4)CCC[C@@H]23)C1 ZINC001107436897 1255816302 /nfs/dbraw/zinc/81/63/02/1255816302.db2.gz XJQUTUKCALJCPE-SMRJSYMMSA-N 1 3 347.547 2.878 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(CNC(=O)C4(N(C)C)CCC4)CCC[C@@H]23)C1 ZINC001107436897 1255816311 /nfs/dbraw/zinc/81/63/11/1255816311.db2.gz XJQUTUKCALJCPE-SMRJSYMMSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2)C1CCC1 ZINC001107438636 1255821740 /nfs/dbraw/zinc/82/17/40/1255821740.db2.gz FPHNSFGKKZKNQQ-IYWCZBAPSA-N 1 3 339.911 2.584 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2)C1CCC1 ZINC001107438636 1255821756 /nfs/dbraw/zinc/82/17/56/1255821756.db2.gz FPHNSFGKKZKNQQ-IYWCZBAPSA-N 1 3 339.911 2.584 20 0 EFADHO CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439408 1255824108 /nfs/dbraw/zinc/82/41/08/1255824108.db2.gz ZWKBAACVSFJDNB-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439408 1255824123 /nfs/dbraw/zinc/82/41/23/1255824123.db2.gz ZWKBAACVSFJDNB-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1)N(C)C ZINC000996713960 1255828471 /nfs/dbraw/zinc/82/84/71/1255828471.db2.gz ZITOBVFIOPDVIO-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC000996715516 1255841769 /nfs/dbraw/zinc/84/17/69/1255841769.db2.gz GLUXTADFRYJOEW-RDTXWAMCSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC[C@@H](C)F)CC2 ZINC001107454977 1255869016 /nfs/dbraw/zinc/86/90/16/1255869016.db2.gz TWALDZKQSNPKDO-GPMSIDNRSA-N 1 3 341.515 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H](C)F)CC2 ZINC001107454977 1255869029 /nfs/dbraw/zinc/86/90/29/1255869029.db2.gz TWALDZKQSNPKDO-GPMSIDNRSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495233 1255976616 /nfs/dbraw/zinc/97/66/16/1255976616.db2.gz LBHZLHOOESYBRY-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)N3CCCC3)CCC[C@@H]12 ZINC001107495233 1255976620 /nfs/dbraw/zinc/97/66/20/1255976620.db2.gz LBHZLHOOESYBRY-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533830 1256070238 /nfs/dbraw/zinc/07/02/38/1256070238.db2.gz IHLLTOKDYUUTFY-QWFCFKBJSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107533830 1256070246 /nfs/dbraw/zinc/07/02/46/1256070246.db2.gz IHLLTOKDYUUTFY-QWFCFKBJSA-N 1 3 335.536 2.900 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2 ZINC001107583356 1256207522 /nfs/dbraw/zinc/20/75/22/1256207522.db2.gz YUIZPGBHNFZLMD-GDBMZVCRSA-N 1 3 349.441 2.641 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2 ZINC001107583356 1256207526 /nfs/dbraw/zinc/20/75/26/1256207526.db2.gz YUIZPGBHNFZLMD-GDBMZVCRSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC000996995453 1256644045 /nfs/dbraw/zinc/64/40/45/1256644045.db2.gz OSKDYFZNDGEBSG-MRXNPFEDSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000996995840 1256646464 /nfs/dbraw/zinc/64/64/64/1256646464.db2.gz RSBNLEQELBHHND-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000996997674 1256650423 /nfs/dbraw/zinc/65/04/23/1256650423.db2.gz FNOACXMCUMWSQF-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccccc1F ZINC000996999052 1256653218 /nfs/dbraw/zinc/65/32/18/1256653218.db2.gz LSRUELZLFIKAFW-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996999235 1256653498 /nfs/dbraw/zinc/65/34/98/1256653498.db2.gz MYPNJOLBEAINFQ-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccccc1 ZINC000996999382 1256654363 /nfs/dbraw/zinc/65/43/63/1256654363.db2.gz NZOZCSPYJLJLLV-IAGOWNOFSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000997002512 1256659974 /nfs/dbraw/zinc/65/99/74/1256659974.db2.gz WUGNIJUBNYLRAT-KRWDZBQOSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1F ZINC000997002391 1256660516 /nfs/dbraw/zinc/66/05/16/1256660516.db2.gz VRVHYYODNZOZFH-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000996996857 1256662371 /nfs/dbraw/zinc/66/23/71/1256662371.db2.gz AETVWGJAITVPEB-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c(C)s1 ZINC000997005261 1256667010 /nfs/dbraw/zinc/66/70/10/1256667010.db2.gz HVWOCGVBBZNLDA-CQSZACIVSA-N 1 3 349.544 2.787 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000997006254 1256668439 /nfs/dbraw/zinc/66/84/39/1256668439.db2.gz KNZBIXYKSDBFOZ-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)C1 ZINC000997007036 1256669130 /nfs/dbraw/zinc/66/91/30/1256669130.db2.gz OAUCRGGKQCHXHI-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997007327 1256671608 /nfs/dbraw/zinc/67/16/08/1256671608.db2.gz QDYOCHRUVHKPNO-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC000997007984 1256672781 /nfs/dbraw/zinc/67/27/81/1256672781.db2.gz SNZBSRKADRAGNW-LXPRWKDFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000997003257 1256676059 /nfs/dbraw/zinc/67/60/59/1256676059.db2.gz ZEBUIXHXLFFWMN-ADKAHSJRSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1)N(C)C ZINC000997017272 1256692627 /nfs/dbraw/zinc/69/26/27/1256692627.db2.gz ZITOBVFIOPDVIO-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2cccc3ccccc32)CC1 ZINC000997043093 1256713709 /nfs/dbraw/zinc/71/37/09/1256713709.db2.gz UROZCFAHOJPDSF-UHFFFAOYSA-N 1 3 348.450 2.886 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000997034682 1256718328 /nfs/dbraw/zinc/71/83/28/1256718328.db2.gz BAUDUFCZOOOFNU-SFHVURJKSA-N 1 3 326.444 2.684 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)c(F)c1 ZINC000997038081 1256723174 /nfs/dbraw/zinc/72/31/74/1256723174.db2.gz ZKFSEAOHZVLXSF-GFCCVEGCSA-N 1 3 348.397 2.572 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000997040647 1256726708 /nfs/dbraw/zinc/72/67/08/1256726708.db2.gz HYYVFCTXROYXPO-UHFFFAOYSA-N 1 3 348.397 2.671 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)C1 ZINC001004150859 1266078317 /nfs/dbraw/zinc/07/83/17/1266078317.db2.gz VBQGTRXCDHKWFW-IBGZPJMESA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)C1 ZINC001004150859 1266078323 /nfs/dbraw/zinc/07/83/23/1266078323.db2.gz VBQGTRXCDHKWFW-IBGZPJMESA-N 1 3 341.499 2.596 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997119824 1256983560 /nfs/dbraw/zinc/98/35/60/1256983560.db2.gz KMMZXOKWUYBDSX-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032400310 1257089996 /nfs/dbraw/zinc/08/99/96/1257089996.db2.gz CFTCWLJVZYMUPV-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032400310 1257090001 /nfs/dbraw/zinc/09/00/01/1257090001.db2.gz CFTCWLJVZYMUPV-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032400484 1257092403 /nfs/dbraw/zinc/09/24/03/1257092403.db2.gz JSDDBOJZYJKGMA-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032400484 1257092412 /nfs/dbraw/zinc/09/24/12/1257092412.db2.gz JSDDBOJZYJKGMA-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405676 1257125419 /nfs/dbraw/zinc/12/54/19/1257125419.db2.gz NUDLWCRVJJXWLS-IHPCNDPISA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405676 1257125421 /nfs/dbraw/zinc/12/54/21/1257125421.db2.gz NUDLWCRVJJXWLS-IHPCNDPISA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@@H+]1C ZINC001032411591 1257162250 /nfs/dbraw/zinc/16/22/50/1257162250.db2.gz RHLPUAMUQQKTFS-XGXHKWSGSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@H+]1C ZINC001032411591 1257162255 /nfs/dbraw/zinc/16/22/55/1257162255.db2.gz RHLPUAMUQQKTFS-XGXHKWSGSA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202502 1257243645 /nfs/dbraw/zinc/24/36/45/1257243645.db2.gz HKPKXOCSQRZYCA-NVXWUHKLSA-N 1 3 339.499 2.580 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905294 1257262646 /nfs/dbraw/zinc/26/26/46/1257262646.db2.gz ONNGDPUHRBIVDC-YRPNKDGESA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905294 1257262649 /nfs/dbraw/zinc/26/26/49/1257262649.db2.gz ONNGDPUHRBIVDC-YRPNKDGESA-N 1 3 341.499 2.551 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000997306199 1257385785 /nfs/dbraw/zinc/38/57/85/1257385785.db2.gz ABCUKSMPTIOVIE-UHFFFAOYSA-N 1 3 335.879 2.516 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000997308077 1257385931 /nfs/dbraw/zinc/38/59/31/1257385931.db2.gz ZJXPVXSJINEHNL-IBGZPJMESA-N 1 3 329.488 2.814 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1F ZINC000997306637 1257385989 /nfs/dbraw/zinc/38/59/89/1257385989.db2.gz HGYQKWLBXDTCCD-HNNXBMFYSA-N 1 3 333.451 2.563 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032433147 1257459296 /nfs/dbraw/zinc/45/92/96/1257459296.db2.gz KJUGDDUNAPQCKJ-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032433147 1257459300 /nfs/dbraw/zinc/45/93/00/1257459300.db2.gz KJUGDDUNAPQCKJ-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032433819 1257477727 /nfs/dbraw/zinc/47/77/27/1257477727.db2.gz SMZBIRQEVQKFQI-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032433819 1257477731 /nfs/dbraw/zinc/47/77/31/1257477731.db2.gz SMZBIRQEVQKFQI-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032442901 1257491059 /nfs/dbraw/zinc/49/10/59/1257491059.db2.gz IHMJRTCKPFTGKE-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032442901 1257491062 /nfs/dbraw/zinc/49/10/62/1257491062.db2.gz IHMJRTCKPFTGKE-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032442867 1257491732 /nfs/dbraw/zinc/49/17/32/1257491732.db2.gz GRXWVRXJQTXIDD-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032442867 1257491737 /nfs/dbraw/zinc/49/17/37/1257491737.db2.gz GRXWVRXJQTXIDD-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2ccsc2)CC1 ZINC000997395972 1257569053 /nfs/dbraw/zinc/56/90/53/1257569053.db2.gz NKAWRJSDIFWVBB-OAHLLOKOSA-N 1 3 347.528 2.561 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910691 1257626531 /nfs/dbraw/zinc/62/65/31/1257626531.db2.gz UPRQQGOKNAIERX-RNQOJCNYSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910691 1257626535 /nfs/dbraw/zinc/62/65/35/1257626535.db2.gz UPRQQGOKNAIERX-RNQOJCNYSA-N 1 3 341.499 2.551 20 0 EFADHO CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001032472511 1257631009 /nfs/dbraw/zinc/63/10/09/1257631009.db2.gz WFZDHHKAYIXKKB-ROUUACIJSA-N 1 3 345.531 2.584 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997606961 1258106256 /nfs/dbraw/zinc/10/62/56/1258106256.db2.gz NOHCNNCBWWXHET-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000997608663 1258108399 /nfs/dbraw/zinc/10/83/99/1258108399.db2.gz VSWGCFQNYHJMFB-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000997612598 1258111362 /nfs/dbraw/zinc/11/13/62/1258111362.db2.gz JWAGTXXVMFGXIE-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000997611053 1258111705 /nfs/dbraw/zinc/11/17/05/1258111705.db2.gz CJXZSOUPNFQZKX-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000997612926 1258112199 /nfs/dbraw/zinc/11/21/99/1258112199.db2.gz MHHBFHWCDYTHFU-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000997611370 1258113732 /nfs/dbraw/zinc/11/37/32/1258113732.db2.gz DLIKAIAEHNLNAH-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000997611452 1258113869 /nfs/dbraw/zinc/11/38/69/1258113869.db2.gz FRZBJRDRTJZXCQ-DNVCBOLYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000997615877 1258118255 /nfs/dbraw/zinc/11/82/55/1258118255.db2.gz XFKDKKXCPXLRCY-DNVCBOLYSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCc2ccc(CC)cc2)CC1 ZINC001203459772 1258201028 /nfs/dbraw/zinc/20/10/28/1258201028.db2.gz JQQZDEQSKTUHHW-UHFFFAOYSA-N 1 3 345.531 2.714 20 0 EFADHO CC1(C)CC(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001032539357 1258271361 /nfs/dbraw/zinc/27/13/61/1258271361.db2.gz BUCAEGRSRQAWKQ-FHWLQOOXSA-N 1 3 345.531 2.582 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032539731 1258273369 /nfs/dbraw/zinc/27/33/69/1258273369.db2.gz GHTJMLTYFMJBDI-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO Cn1nnc2cc(C[NH2+]C[C@H]3CCN(CCc4ccccc4)C3)ccc21 ZINC001649096277 1258366607 /nfs/dbraw/zinc/36/66/07/1258366607.db2.gz QEQQKVRAVPLJGV-LJQANCHMSA-N 1 3 349.482 2.623 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1 ZINC000997785808 1258404190 /nfs/dbraw/zinc/40/41/90/1258404190.db2.gz DYZMRSBJPBAGBO-FUHWJXTLSA-N 1 3 341.515 2.826 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001168600776 1258492677 /nfs/dbraw/zinc/49/26/77/1258492677.db2.gz CTROIQAMRVJLAQ-FHWLQOOXSA-N 1 3 342.487 2.885 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)CCC1 ZINC000997824857 1258496491 /nfs/dbraw/zinc/49/64/91/1258496491.db2.gz WQLDOUGUFRXTPR-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000997831495 1258505681 /nfs/dbraw/zinc/50/56/81/1258505681.db2.gz UHFGIWZNNMFQPU-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000997831507 1258505982 /nfs/dbraw/zinc/50/59/82/1258505982.db2.gz UMGHVDJJLFDEAH-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC000997831141 1258509254 /nfs/dbraw/zinc/50/92/54/1258509254.db2.gz RSJXTMYPHBNQSL-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000902529748 1258516891 /nfs/dbraw/zinc/51/68/91/1258516891.db2.gz YODQXLPJQBLRFH-PMACEKPBSA-N 1 3 347.503 2.586 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000997855786 1258529137 /nfs/dbraw/zinc/52/91/37/1258529137.db2.gz POLYELGXXRZWGZ-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000997855134 1258529506 /nfs/dbraw/zinc/52/95/06/1258529506.db2.gz LXGZRTPGSYFMTO-VQTJNVASSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC000997854586 1258533549 /nfs/dbraw/zinc/53/35/49/1258533549.db2.gz GNVHGPFACNJAFU-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC000997857172 1258540613 /nfs/dbraw/zinc/54/06/13/1258540613.db2.gz XRXURXWDAVQNQS-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2ccccc2C)CC1 ZINC001203460766 1258548259 /nfs/dbraw/zinc/54/82/59/1258548259.db2.gz WTLWQRHERJCISM-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)=CC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004202284 1266209883 /nfs/dbraw/zinc/20/98/83/1266209883.db2.gz YJTLVEDMRVUCHE-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000997949450 1258824081 /nfs/dbraw/zinc/82/40/81/1258824081.db2.gz NDBIRYPPJQWNDK-HUUCEWRRSA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000997949450 1258824086 /nfs/dbraw/zinc/82/40/86/1258824086.db2.gz NDBIRYPPJQWNDK-HUUCEWRRSA-N 1 3 349.441 2.736 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC001004204014 1266215389 /nfs/dbraw/zinc/21/53/89/1266215389.db2.gz NTFVBKDJQHOPBZ-ROUUACIJSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001004205528 1266232552 /nfs/dbraw/zinc/23/25/52/1266232552.db2.gz DOSSQUVUQXAAIK-HZPDHXFCSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000998080535 1259081997 /nfs/dbraw/zinc/08/19/97/1259081997.db2.gz CSZYJBZYWGALKZ-MRXNPFEDSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC000998086875 1259083588 /nfs/dbraw/zinc/08/35/88/1259083588.db2.gz VBBJABOCXMCMLP-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000998083076 1259085368 /nfs/dbraw/zinc/08/53/68/1259085368.db2.gz UKVURXVLWRJFKV-QGZVFWFLSA-N 1 3 347.547 2.737 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC000998083689 1259086655 /nfs/dbraw/zinc/08/66/55/1259086655.db2.gz XMOOPQVUYSWOMC-MSOLQXFVSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC000998085521 1259089310 /nfs/dbraw/zinc/08/93/10/1259089310.db2.gz GNVHGPFACNJAFU-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000998085997 1259090074 /nfs/dbraw/zinc/09/00/74/1259090074.db2.gz LXGZRTPGSYFMTO-UXHICEINSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC000998085692 1259090693 /nfs/dbraw/zinc/09/06/93/1259090693.db2.gz IIDXURUOSAQDME-LPHOPBHVSA-N 1 3 331.504 2.916 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC000998087939 1259093034 /nfs/dbraw/zinc/09/30/34/1259093034.db2.gz ZCLSWXMDSMGFKN-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998118216 1259128872 /nfs/dbraw/zinc/12/88/72/1259128872.db2.gz FCRHVKIKTNRXKK-INIZCTEOSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998115836 1259131093 /nfs/dbraw/zinc/13/10/93/1259131093.db2.gz QWSVGOZPVNRJBT-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1)N(C)C ZINC001032610976 1259290117 /nfs/dbraw/zinc/29/01/17/1259290117.db2.gz BFPVJZOVAJUBKW-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1)N(C)C ZINC001032610976 1259290120 /nfs/dbraw/zinc/29/01/20/1259290120.db2.gz BFPVJZOVAJUBKW-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001203460998 1259323281 /nfs/dbraw/zinc/32/32/81/1259323281.db2.gz ZYVRZGZNUHBSFC-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000998268524 1259348885 /nfs/dbraw/zinc/34/88/85/1259348885.db2.gz GVMKXEVDBOHOPV-UHFFFAOYSA-N 1 3 347.547 2.881 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000998284320 1259378292 /nfs/dbraw/zinc/37/82/92/1259378292.db2.gz AQNWRDKEIOFBEX-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000998286197 1259380752 /nfs/dbraw/zinc/38/07/52/1259380752.db2.gz IHFFXTYENSYVCN-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998287695 1259381593 /nfs/dbraw/zinc/38/15/93/1259381593.db2.gz QAESWCQPXMLEEB-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998536321 1259653718 /nfs/dbraw/zinc/65/37/18/1259653718.db2.gz RHAVNNXIMDIGTK-YIZWMMSDSA-N 1 3 341.908 2.575 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c(Cl)c1 ZINC000998547844 1259675738 /nfs/dbraw/zinc/67/57/38/1259675738.db2.gz BAGRVWNAYLHRNK-LEOMRAHMSA-N 1 3 349.906 2.822 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]Cc1ccsc1 ZINC001036556991 1259677383 /nfs/dbraw/zinc/67/73/83/1259677383.db2.gz VOZWXVXAPYNKFX-CRAIPNDOSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001036580017 1259733255 /nfs/dbraw/zinc/73/32/55/1259733255.db2.gz WFDOVONFTLSLKN-QFBILLFUSA-N 1 3 340.471 2.678 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000708587030 1259773085 /nfs/dbraw/zinc/77/30/85/1259773085.db2.gz UCKXVQVSJXBIQP-ABHMUUKNSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000708587030 1259773092 /nfs/dbraw/zinc/77/30/92/1259773092.db2.gz UCKXVQVSJXBIQP-ABHMUUKNSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H]1OC ZINC000708587030 1259773096 /nfs/dbraw/zinc/77/30/96/1259773096.db2.gz UCKXVQVSJXBIQP-ABHMUUKNSA-N 1 3 332.488 2.537 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000998792143 1259949526 /nfs/dbraw/zinc/94/95/26/1259949526.db2.gz UDXLXCPYFLMSAG-LHUBUQBQSA-N 1 3 349.906 2.759 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC000998792143 1259949536 /nfs/dbraw/zinc/94/95/36/1259949536.db2.gz UDXLXCPYFLMSAG-LHUBUQBQSA-N 1 3 349.906 2.759 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000999150875 1260257897 /nfs/dbraw/zinc/25/78/97/1260257897.db2.gz DMWOYHULZWJVME-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999191350 1260335180 /nfs/dbraw/zinc/33/51/80/1260335180.db2.gz XQKKGPGKHAWDNM-KBAYOESNSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999191350 1260335184 /nfs/dbraw/zinc/33/51/84/1260335184.db2.gz XQKKGPGKHAWDNM-KBAYOESNSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032663950 1260353602 /nfs/dbraw/zinc/35/36/02/1260353602.db2.gz KBQZTVLLSRCCGN-OKZBNKHCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032663950 1260353611 /nfs/dbraw/zinc/35/36/11/1260353611.db2.gz KBQZTVLLSRCCGN-OKZBNKHCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032663950 1260353619 /nfs/dbraw/zinc/35/36/19/1260353619.db2.gz KBQZTVLLSRCCGN-OKZBNKHCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032663950 1260353628 /nfs/dbraw/zinc/35/36/28/1260353628.db2.gz KBQZTVLLSRCCGN-OKZBNKHCSA-N 1 3 335.536 2.971 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC1 ZINC001032665569 1260378228 /nfs/dbraw/zinc/37/82/28/1260378228.db2.gz CAXITMWBYRPXRQ-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)CC1 ZINC001032665782 1260379414 /nfs/dbraw/zinc/37/94/14/1260379414.db2.gz FYQBWZUUTGFOSD-OALUTQOASA-N 1 3 345.531 2.584 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)CC1 ZINC001032711317 1260500559 /nfs/dbraw/zinc/50/05/59/1260500559.db2.gz PNNVTMZNSHJENZ-OALUTQOASA-N 1 3 347.547 2.828 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC000999346309 1260550310 /nfs/dbraw/zinc/55/03/10/1260550310.db2.gz DAHJSOTUOAITNI-MRXNPFEDSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348269 1260552039 /nfs/dbraw/zinc/55/20/39/1260552039.db2.gz NCRJLGFHHBQUMI-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1F ZINC000999372900 1260556006 /nfs/dbraw/zinc/55/60/06/1260556006.db2.gz PIYXRRJNCMUXEY-MJGOQNOKSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000999372958 1260556269 /nfs/dbraw/zinc/55/62/69/1260556269.db2.gz PTEDFDISAHDTNV-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999379384 1260562318 /nfs/dbraw/zinc/56/23/18/1260562318.db2.gz YIZAHBBPWZQKGS-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999362627 1260564088 /nfs/dbraw/zinc/56/40/88/1260564088.db2.gz CCISTFBEMBWVTG-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000999362662 1260564526 /nfs/dbraw/zinc/56/45/26/1260564526.db2.gz CNVKCFDWAIVACD-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999363131 1260564939 /nfs/dbraw/zinc/56/49/39/1260564939.db2.gz CEBWINTWVJZMTD-RTBURBONSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999365693 1260568574 /nfs/dbraw/zinc/56/85/74/1260568574.db2.gz RMTYNBOKCFTAMO-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999367173 1260570369 /nfs/dbraw/zinc/57/03/69/1260570369.db2.gz DURPTHYTMULFKO-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999370649 1260570949 /nfs/dbraw/zinc/57/09/49/1260570949.db2.gz KVOSYSGCJQZORW-RBUKOAKNSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999370675 1260571052 /nfs/dbraw/zinc/57/10/52/1260571052.db2.gz LEQVLICQPVUOOO-QUCCMNQESA-N 1 3 343.515 2.724 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999400892 1260580555 /nfs/dbraw/zinc/58/05/55/1260580555.db2.gz MLJVDIUPCAHWNI-ZWKOTPCHSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999400892 1260580562 /nfs/dbraw/zinc/58/05/62/1260580562.db2.gz MLJVDIUPCAHWNI-ZWKOTPCHSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC000999418341 1260592770 /nfs/dbraw/zinc/59/27/70/1260592770.db2.gz BQSAUZWXHSHYEI-IRXDYDNUSA-N 1 3 337.533 2.723 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000999401915 1260594991 /nfs/dbraw/zinc/59/49/91/1260594991.db2.gz ASBKKQAKVHPPCN-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC000999406894 1260599903 /nfs/dbraw/zinc/59/99/03/1260599903.db2.gz BOMXSXYUGFLSOF-IVMQYODDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000999406103 1260600131 /nfs/dbraw/zinc/60/01/31/1260600131.db2.gz KFEJREHNFIJXLW-KKXNLOMOSA-N 1 3 343.515 2.867 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CCCCC2)C1 ZINC000999406901 1260600304 /nfs/dbraw/zinc/60/03/04/1260600304.db2.gz BQOJWFVVRQYAPF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999406781 1260601097 /nfs/dbraw/zinc/60/10/97/1260601097.db2.gz RFJQVQMEVCLPLJ-MNNVXMFVSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999421909 1260611259 /nfs/dbraw/zinc/61/12/59/1260611259.db2.gz KHMPCPMMCLILAP-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000999421317 1260611860 /nfs/dbraw/zinc/61/18/60/1260611860.db2.gz JEYRGULBJROAPN-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999425558 1260615540 /nfs/dbraw/zinc/61/55/40/1260615540.db2.gz VBQLAZVXOCDRIL-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2F)C1)N(C)C ZINC000999426959 1260616827 /nfs/dbraw/zinc/61/68/27/1260616827.db2.gz APYADFQUDWEWCH-MJGOQNOKSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999426130 1260616931 /nfs/dbraw/zinc/61/69/31/1260616931.db2.gz XAOTXURNOBORAB-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999432407 1260621826 /nfs/dbraw/zinc/62/18/26/1260621826.db2.gz GGSWPEYRODVRFY-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000999470901 1260662845 /nfs/dbraw/zinc/66/28/45/1260662845.db2.gz XSZFIORKDAGBLY-UHFFFAOYSA-N 1 3 340.471 2.684 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999472628 1260663845 /nfs/dbraw/zinc/66/38/45/1260663845.db2.gz IIEBXOJKLURSGB-UHFFFAOYSA-N 1 3 340.471 2.855 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000999475192 1260666757 /nfs/dbraw/zinc/66/67/57/1260666757.db2.gz UPAPLTHWACLPEB-UHFFFAOYSA-N 1 3 330.476 2.502 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC000999489677 1260712538 /nfs/dbraw/zinc/71/25/38/1260712538.db2.gz LJQYLRSZUWLCJV-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC000999491840 1260713929 /nfs/dbraw/zinc/71/39/29/1260713929.db2.gz XMMSGFQHEIMDDG-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000999491541 1260714143 /nfs/dbraw/zinc/71/41/43/1260714143.db2.gz VOZAFNMZJSIZEJ-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033068842 1266358050 /nfs/dbraw/zinc/35/80/50/1266358050.db2.gz FEAIODTWCFSXRK-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033068842 1266358064 /nfs/dbraw/zinc/35/80/64/1266358064.db2.gz FEAIODTWCFSXRK-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033068842 1266358068 /nfs/dbraw/zinc/35/80/68/1266358068.db2.gz FEAIODTWCFSXRK-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001033068842 1266358078 /nfs/dbraw/zinc/35/80/78/1266358078.db2.gz FEAIODTWCFSXRK-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccccc3F)C2)CC1 ZINC000999600305 1260762918 /nfs/dbraw/zinc/76/29/18/1260762918.db2.gz ZNCJLDREMZDLNA-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCc3cccs3)C2)CC1 ZINC000999602734 1260763541 /nfs/dbraw/zinc/76/35/41/1260763541.db2.gz VZUQKEVFWXBZOJ-UHFFFAOYSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033069024 1266360182 /nfs/dbraw/zinc/36/01/82/1266360182.db2.gz GGVJLEVSLDRQBU-WOJBJXKFSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033069024 1266360191 /nfs/dbraw/zinc/36/01/91/1266360191.db2.gz GGVJLEVSLDRQBU-WOJBJXKFSA-N 1 3 343.515 2.635 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000999832806 1260945081 /nfs/dbraw/zinc/94/50/81/1260945081.db2.gz IXXSLNQILOYGRK-UHFFFAOYSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000999834172 1260945717 /nfs/dbraw/zinc/94/57/17/1260945717.db2.gz TYAQKEJNFUCLDU-NNGSBXSVSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000999834205 1260945743 /nfs/dbraw/zinc/94/57/43/1260945743.db2.gz UGSPLFXJXAYVCA-UHFFFAOYSA-N 1 3 341.499 2.739 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000999834061 1260945832 /nfs/dbraw/zinc/94/58/32/1260945832.db2.gz PTVLBNLFPQXJMN-UHFFFAOYSA-N 1 3 349.906 2.557 20 0 EFADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000999835643 1260946931 /nfs/dbraw/zinc/94/69/31/1260946931.db2.gz HUOJQXRSLKBUME-CTWPCTMYSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834840 1260947289 /nfs/dbraw/zinc/94/72/89/1260947289.db2.gz XKZFVFDYOGMDHL-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033071196 1266378227 /nfs/dbraw/zinc/37/82/27/1266378227.db2.gz WVPAHUZKOAFIEH-OALUTQOASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033071196 1266378237 /nfs/dbraw/zinc/37/82/37/1266378237.db2.gz WVPAHUZKOAFIEH-OALUTQOASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033071197 1266378889 /nfs/dbraw/zinc/37/88/89/1266378889.db2.gz WVPAHUZKOAFIEH-RBUKOAKNSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033071197 1266378901 /nfs/dbraw/zinc/37/89/01/1266378901.db2.gz WVPAHUZKOAFIEH-RBUKOAKNSA-N 1 3 347.547 2.972 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032724740 1261075821 /nfs/dbraw/zinc/07/58/21/1261075821.db2.gz CQQNCMHZEYDQOF-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032724740 1261075825 /nfs/dbraw/zinc/07/58/25/1261075825.db2.gz CQQNCMHZEYDQOF-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)[C@H](C)C1 ZINC000921747454 1261355808 /nfs/dbraw/zinc/35/58/08/1261355808.db2.gz OVNXIWAYKJKPEP-YLJYHZDGSA-N 1 3 348.535 2.910 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2cccc(COc3ccccc3)c2)CC1 ZINC000921771304 1261388248 /nfs/dbraw/zinc/38/82/48/1261388248.db2.gz VTOUVMFAPWQWNR-UHFFFAOYSA-N 1 3 340.467 2.812 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923296521 1261420678 /nfs/dbraw/zinc/42/06/78/1261420678.db2.gz USXBUVZZJWNSNM-DOMZBBRYSA-N 1 3 335.275 2.696 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000923330378 1261467341 /nfs/dbraw/zinc/46/73/41/1261467341.db2.gz DHBQBAKFMOTOJO-FFZOFVMBSA-N 1 3 340.467 2.762 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001410475619 1266413096 /nfs/dbraw/zinc/41/30/96/1266413096.db2.gz QEAJLNBQCUDUGZ-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001006059212 1261548828 /nfs/dbraw/zinc/54/88/28/1261548828.db2.gz HPYKSISTPGMMGU-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000923354727 1261549573 /nfs/dbraw/zinc/54/95/73/1261549573.db2.gz VPRUSWPZSYLDPM-GJZGRUSLSA-N 1 3 330.394 2.812 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001006059130 1261549751 /nfs/dbraw/zinc/54/97/51/1261549751.db2.gz GIBRUVZPISVZTD-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000923372259 1261567801 /nfs/dbraw/zinc/56/78/01/1261567801.db2.gz FZFDQBSXQYLGPV-RDJZCZTQSA-N 1 3 340.895 2.885 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923381485 1261580334 /nfs/dbraw/zinc/58/03/34/1261580334.db2.gz JBFBXDSOCTVATP-HMXCVIKNSA-N 1 3 340.467 2.953 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923393344 1261598680 /nfs/dbraw/zinc/59/86/80/1261598680.db2.gz OWFKCDYTUPKAHM-ZACQAIPSSA-N 1 3 337.467 2.967 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899365 1261630928 /nfs/dbraw/zinc/63/09/28/1261630928.db2.gz HGMVZZRQERTPBA-BGYRXZFFSA-N 1 3 343.515 2.942 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899365 1261630936 /nfs/dbraw/zinc/63/09/36/1261630936.db2.gz HGMVZZRQERTPBA-BGYRXZFFSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946901733 1261672122 /nfs/dbraw/zinc/67/21/22/1261672122.db2.gz DHWNIVOFBRHQAH-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946901733 1261672129 /nfs/dbraw/zinc/67/21/29/1261672129.db2.gz DHWNIVOFBRHQAH-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487260 1261745838 /nfs/dbraw/zinc/74/58/38/1261745838.db2.gz BVTXUCSNZALYRC-SJLPKXTDSA-N 1 3 331.504 2.733 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923487259 1261746136 /nfs/dbraw/zinc/74/61/36/1261746136.db2.gz BVTXUCSNZALYRC-FUHWJXTLSA-N 1 3 331.504 2.733 20 0 EFADHO [NH3+]CC[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923481638 1261751537 /nfs/dbraw/zinc/75/15/37/1261751537.db2.gz SYTPQMSTPLFUBF-XHDPSFHLSA-N 1 3 342.270 2.769 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923489157 1261766927 /nfs/dbraw/zinc/76/69/27/1261766927.db2.gz CJUDUHACLSQTFA-IRXDYDNUSA-N 1 3 344.503 2.675 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923491123 1261773613 /nfs/dbraw/zinc/77/36/13/1261773613.db2.gz JHQPCUTUGDGHBH-QRWLVFNGSA-N 1 3 347.478 2.844 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923504640 1261802419 /nfs/dbraw/zinc/80/24/19/1261802419.db2.gz CMKDLGNJOFVZBM-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CNC(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505160 1261803143 /nfs/dbraw/zinc/80/31/43/1261803143.db2.gz LFSPWYHALFPMIP-QGZVFWFLSA-N 1 3 329.488 2.648 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)[NH+]1CCCC1 ZINC001032804163 1261825874 /nfs/dbraw/zinc/82/58/74/1261825874.db2.gz ZPHCOKUMCLTBPN-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819047 1262362855 /nfs/dbraw/zinc/36/28/55/1262362855.db2.gz IADAVQADNOQIRW-ROUUACIJSA-N 1 3 329.488 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001078819477 1262363208 /nfs/dbraw/zinc/36/32/08/1262363208.db2.gz OEMSEEQQHQEDSU-MOPGFXCFSA-N 1 3 341.499 2.789 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001485882212 1262464792 /nfs/dbraw/zinc/46/47/92/1262464792.db2.gz PHMFFJXCYVAKBT-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C/Cl ZINC001485922716 1262503061 /nfs/dbraw/zinc/50/30/61/1262503061.db2.gz PXJYXICKMIJUEB-IWOOQVRJSA-N 1 3 337.895 2.593 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[C@H]1C ZINC001486129434 1262662598 /nfs/dbraw/zinc/66/25/98/1262662598.db2.gz NMXAJXHBKXQUBE-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001486131623 1262664396 /nfs/dbraw/zinc/66/43/96/1262664396.db2.gz WMEWKNJPRRYQTI-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001486202723 1262787849 /nfs/dbraw/zinc/78/78/49/1262787849.db2.gz ONFPSRAUFGIEKX-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC001486420187 1263065598 /nfs/dbraw/zinc/06/55/98/1263065598.db2.gz ROVZLKGVWNEJHH-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1cccc(F)c1 ZINC001082557451 1263221204 /nfs/dbraw/zinc/22/12/04/1263221204.db2.gz FMSHAZRZEVOAFF-RVKKMQEKSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082557583 1263221330 /nfs/dbraw/zinc/22/13/30/1263221330.db2.gz QKASZNMPICGFMG-GPQLOAJWSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559199 1263221360 /nfs/dbraw/zinc/22/13/60/1263221360.db2.gz XHFDFDPUYJBCIT-NSISKUIASA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001082557665 1263222038 /nfs/dbraw/zinc/22/20/38/1263222038.db2.gz XNZWKXUCNSKARV-AYOQOUSVSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c(C)s1 ZINC001082560303 1263222253 /nfs/dbraw/zinc/22/22/53/1263222253.db2.gz MZZFJXKYDJZNSS-PJSAGSTRSA-N 1 3 349.544 2.642 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1cccc(F)c1 ZINC001082561623 1263223411 /nfs/dbraw/zinc/22/34/11/1263223411.db2.gz FYRKYLIIBVGTDU-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1cccc(F)c1 ZINC001082561624 1263224120 /nfs/dbraw/zinc/22/41/20/1263224120.db2.gz FYRKYLIIBVGTDU-ZRGWGRIASA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575048 1263228431 /nfs/dbraw/zinc/22/84/31/1263228431.db2.gz ICEVVEYMKHVHBQ-LZQZEXGQSA-N 1 3 349.494 2.657 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001082748257 1263291155 /nfs/dbraw/zinc/29/11/55/1263291155.db2.gz CMSFLZXFHWYMKK-BMFZPTHFSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082742555 1263313135 /nfs/dbraw/zinc/31/31/35/1263313135.db2.gz JWTHTGUFUXNIRF-YQVWRLOYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c(C)s1 ZINC001082741303 1263313226 /nfs/dbraw/zinc/31/32/26/1263313226.db2.gz WQQGZVNSVBIFIT-QWQRMKEZSA-N 1 3 349.544 2.786 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001082742548 1263313262 /nfs/dbraw/zinc/31/32/62/1263313262.db2.gz JMJPJFMWCPYYFO-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001082741763 1263313902 /nfs/dbraw/zinc/31/39/02/1263313902.db2.gz BGTNOQWSAKQONC-MBOZVWFJSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001082740744 1263314622 /nfs/dbraw/zinc/31/46/22/1263314622.db2.gz DXLXULFPXTXPAH-FUHIMQAGSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082744084 1263315491 /nfs/dbraw/zinc/31/54/91/1263315491.db2.gz ROSIGJJVRMVZOZ-JWHDQAAXSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c(C)s1 ZINC001082742878 1263316528 /nfs/dbraw/zinc/31/65/28/1263316528.db2.gz VGZDUJBMVIZYSB-PMUMKWKESA-N 1 3 349.544 2.643 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001082943263 1263424610 /nfs/dbraw/zinc/42/46/10/1263424610.db2.gz AWQPYGLPNOJUBS-OLMNPRSZSA-N 1 3 349.544 2.867 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082943551 1263425565 /nfs/dbraw/zinc/42/55/65/1263425565.db2.gz NWUSZJHQVREOLJ-BHIYHBOVSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1Cc2cc(CNCc3ccnc(OCC[NH+](C)C)c3)ccc2O1 ZINC000921940867 1263620111 /nfs/dbraw/zinc/62/01/11/1263620111.db2.gz AGYUXSATSPDYIB-OAHLLOKOSA-N 1 3 341.455 2.635 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084340051 1263835263 /nfs/dbraw/zinc/83/52/63/1263835263.db2.gz RRSUMJVANJYABR-VAMGGRTRSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084340051 1263835282 /nfs/dbraw/zinc/83/52/82/1263835282.db2.gz RRSUMJVANJYABR-VAMGGRTRSA-N 1 3 345.531 2.892 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344757 1263839346 /nfs/dbraw/zinc/83/93/46/1263839346.db2.gz FOCHKVYDBJYXMK-BRWVUGGUSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344757 1263839352 /nfs/dbraw/zinc/83/93/52/1263839352.db2.gz FOCHKVYDBJYXMK-BRWVUGGUSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cccc(CC[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273042993 1266613177 /nfs/dbraw/zinc/61/31/77/1266613177.db2.gz XIWIWVDMIYXZGW-OAQYLSRUSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cccc(CC[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273042993 1266613183 /nfs/dbraw/zinc/61/31/83/1266613183.db2.gz XIWIWVDMIYXZGW-OAQYLSRUSA-N 1 3 343.515 2.556 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084421904 1263895953 /nfs/dbraw/zinc/89/59/53/1263895953.db2.gz DWROIACIARDUTQ-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084421904 1263895967 /nfs/dbraw/zinc/89/59/67/1263895967.db2.gz DWROIACIARDUTQ-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084388681 1263904441 /nfs/dbraw/zinc/90/44/41/1263904441.db2.gz ALGJUFQKWIOLAK-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084388681 1263904448 /nfs/dbraw/zinc/90/44/48/1263904448.db2.gz ALGJUFQKWIOLAK-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405586 1263917177 /nfs/dbraw/zinc/91/71/77/1263917177.db2.gz UPGQDMMMWWOQEC-CEXWTWQISA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405586 1263917185 /nfs/dbraw/zinc/91/71/85/1263917185.db2.gz UPGQDMMMWWOQEC-CEXWTWQISA-N 1 3 333.520 2.748 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCCN3C(C)C)CC2)cc1 ZINC001002791315 1264078681 /nfs/dbraw/zinc/07/86/81/1264078681.db2.gz GYJNHSOZOPMBRQ-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084701706 1264244295 /nfs/dbraw/zinc/24/42/95/1264244295.db2.gz OFPIMFSFAJUJKR-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084701706 1264244305 /nfs/dbraw/zinc/24/43/05/1264244305.db2.gz OFPIMFSFAJUJKR-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084701641 1264245834 /nfs/dbraw/zinc/24/58/34/1264245834.db2.gz MGTAPNGICFYWQS-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084701641 1264245840 /nfs/dbraw/zinc/24/58/40/1264245840.db2.gz MGTAPNGICFYWQS-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701449 1264246376 /nfs/dbraw/zinc/24/63/76/1264246376.db2.gz DNZALYMKYRDLBA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701449 1264246379 /nfs/dbraw/zinc/24/63/79/1264246379.db2.gz DNZALYMKYRDLBA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CCCC2CCC2)CC1)C1CCC1 ZINC001410224125 1264367225 /nfs/dbraw/zinc/36/72/25/1264367225.db2.gz VPBXVCPPCHELDH-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1)C1CCC1 ZINC001410224125 1264367233 /nfs/dbraw/zinc/36/72/33/1264367233.db2.gz VPBXVCPPCHELDH-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21)c1c[nH]cn1 ZINC001084776880 1264375305 /nfs/dbraw/zinc/37/53/05/1264375305.db2.gz YISYKXJQDNETFC-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21)c1c[nH]cn1 ZINC001084776880 1264375316 /nfs/dbraw/zinc/37/53/16/1264375316.db2.gz YISYKXJQDNETFC-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850211 1264537106 /nfs/dbraw/zinc/53/71/06/1264537106.db2.gz PEFZLRRDRHGLBH-RTBURBONSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850211 1264537109 /nfs/dbraw/zinc/53/71/09/1264537109.db2.gz PEFZLRRDRHGLBH-RTBURBONSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853520 1264540763 /nfs/dbraw/zinc/54/07/63/1264540763.db2.gz XDSYHZWWTOSONE-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853520 1264540769 /nfs/dbraw/zinc/54/07/69/1264540769.db2.gz XDSYHZWWTOSONE-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001410315134 1264761316 /nfs/dbraw/zinc/76/13/16/1264761316.db2.gz TYVGTABWJNRPOW-IBGZPJMESA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3=CCCCC3)[C@H]2C1)N(C)C ZINC001084964822 1264777409 /nfs/dbraw/zinc/77/74/09/1264777409.db2.gz TZIFNMBABKMZLA-AABGKKOBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H]2C1)N(C)C ZINC001084964822 1264777412 /nfs/dbraw/zinc/77/74/12/1264777412.db2.gz TZIFNMBABKMZLA-AABGKKOBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1)N(C)C ZINC001085025240 1264958861 /nfs/dbraw/zinc/95/88/61/1264958861.db2.gz LVKDIRCNJULRAF-FGTMMUONSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1)N(C)C ZINC001085025240 1264958873 /nfs/dbraw/zinc/95/88/73/1264958873.db2.gz LVKDIRCNJULRAF-FGTMMUONSA-N 1 3 337.552 2.932 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001410388829 1264979711 /nfs/dbraw/zinc/97/97/11/1264979711.db2.gz ORUYPHDZNRBPSZ-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003623642 1264982663 /nfs/dbraw/zinc/98/26/63/1264982663.db2.gz IJVRADOFINHMIE-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001003625490 1264985720 /nfs/dbraw/zinc/98/57/20/1264985720.db2.gz HCHCECWXOHOYLU-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003625510 1264985823 /nfs/dbraw/zinc/98/58/23/1264985823.db2.gz HIPFCSDXWVHEIE-WMZOPIPTSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c(C)c1 ZINC001003625480 1264986219 /nfs/dbraw/zinc/98/62/19/1264986219.db2.gz GTTKAJBBVHWMBZ-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001003626064 1264986547 /nfs/dbraw/zinc/98/65/47/1264986547.db2.gz KTTKWHKBKZOSSF-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC001003625436 1264986676 /nfs/dbraw/zinc/98/66/76/1264986676.db2.gz GDCUZJVEQLDVAG-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001003628680 1264997386 /nfs/dbraw/zinc/99/73/86/1264997386.db2.gz SSYFDOZDYJNUBN-MRXNPFEDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628691 1264997769 /nfs/dbraw/zinc/99/77/69/1264997769.db2.gz TZKWXFJBUKQYKJ-RDTXWAMCSA-N 1 3 345.478 2.528 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003628454 1264997879 /nfs/dbraw/zinc/99/78/79/1264997879.db2.gz PZGPHCYZZCHBHI-IAGOWNOFSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001003628134 1264998764 /nfs/dbraw/zinc/99/87/64/1264998764.db2.gz MGEYDPWRHDZSJG-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001085049582 1265026869 /nfs/dbraw/zinc/02/68/69/1265026869.db2.gz MBPRBUVVRRQLPU-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001085049582 1265026871 /nfs/dbraw/zinc/02/68/71/1265026871.db2.gz MBPRBUVVRRQLPU-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1)N1CCCCCC1 ZINC001085049617 1265029081 /nfs/dbraw/zinc/02/90/81/1265029081.db2.gz ODYGWJFMTPJOPR-KSZLIROESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1)N1CCCCCC1 ZINC001085049617 1265029089 /nfs/dbraw/zinc/02/90/89/1265029089.db2.gz ODYGWJFMTPJOPR-KSZLIROESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001085075941 1265081115 /nfs/dbraw/zinc/08/11/15/1265081115.db2.gz WZCGSMAQQYMMBQ-OAGGEKHMSA-N 1 3 332.492 2.656 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001085075941 1265081126 /nfs/dbraw/zinc/08/11/26/1265081126.db2.gz WZCGSMAQQYMMBQ-OAGGEKHMSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003740466 1265116860 /nfs/dbraw/zinc/11/68/60/1265116860.db2.gz KUFCHNPIKHRTHB-DOTOQJQBSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001410433620 1265173210 /nfs/dbraw/zinc/17/32/10/1265173210.db2.gz ITTKGYDOWCARGL-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCCC1 ZINC001273045096 1266674206 /nfs/dbraw/zinc/67/42/06/1266674206.db2.gz NZYSXFFRSGZFCS-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCCC1 ZINC001273045096 1266674210 /nfs/dbraw/zinc/67/42/10/1266674210.db2.gz NZYSXFFRSGZFCS-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004365271 1266770941 /nfs/dbraw/zinc/77/09/41/1266770941.db2.gz DNEIXMABSDTXJU-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004365271 1266770950 /nfs/dbraw/zinc/77/09/50/1266770950.db2.gz DNEIXMABSDTXJU-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004374272 1266811429 /nfs/dbraw/zinc/81/14/29/1266811429.db2.gz ZSXZVMHZMCLXHO-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004374272 1266811443 /nfs/dbraw/zinc/81/14/43/1266811443.db2.gz ZSXZVMHZMCLXHO-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CCCC[C@@](C)(F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824818820 1278302663 /nfs/dbraw/zinc/30/26/63/1278302663.db2.gz JRESMNJIZNKOFI-GOSISDBHSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455775 1267083498 /nfs/dbraw/zinc/08/34/98/1267083498.db2.gz ATBNXYLVSVYENJ-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455775 1267083505 /nfs/dbraw/zinc/08/35/05/1267083505.db2.gz ATBNXYLVSVYENJ-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463049 1267090088 /nfs/dbraw/zinc/09/00/88/1267090088.db2.gz INOPUYTXSFAOLD-OALUTQOASA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463049 1267090101 /nfs/dbraw/zinc/09/01/01/1267090101.db2.gz INOPUYTXSFAOLD-OALUTQOASA-N 1 3 337.552 2.932 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458658 1267094296 /nfs/dbraw/zinc/09/42/96/1267094296.db2.gz PYBJESFJWVIZQD-WOJBJXKFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458658 1267094301 /nfs/dbraw/zinc/09/43/01/1267094301.db2.gz PYBJESFJWVIZQD-WOJBJXKFSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004462507 1267103413 /nfs/dbraw/zinc/10/34/13/1267103413.db2.gz FIIQQMRBIOEEDB-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004462507 1267103416 /nfs/dbraw/zinc/10/34/16/1267103416.db2.gz FIIQQMRBIOEEDB-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1nc(Cl)c(NC(=N)N2CCN(C)CC2)nc1-c1ccccc1 ZINC001168736789 1267148303 /nfs/dbraw/zinc/14/83/03/1267148303.db2.gz PGKUKBWRXCMWGQ-UHFFFAOYSA-N 1 3 344.850 2.699 20 0 EFADHO Cc1nc(Cl)c(NC(=N)N2CC[NH+](C)CC2)nc1-c1ccccc1 ZINC001168736789 1267148306 /nfs/dbraw/zinc/14/83/06/1267148306.db2.gz PGKUKBWRXCMWGQ-UHFFFAOYSA-N 1 3 344.850 2.699 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033126193 1267168707 /nfs/dbraw/zinc/16/87/07/1267168707.db2.gz LCOMDYJKAGHJNY-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033126193 1267168711 /nfs/dbraw/zinc/16/87/11/1267168711.db2.gz LCOMDYJKAGHJNY-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001033126630 1267170572 /nfs/dbraw/zinc/17/05/72/1267170572.db2.gz NKOPFLMUGAXYDO-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001033126630 1267170574 /nfs/dbraw/zinc/17/05/74/1267170574.db2.gz NKOPFLMUGAXYDO-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033126630 1267170575 /nfs/dbraw/zinc/17/05/75/1267170575.db2.gz NKOPFLMUGAXYDO-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033126630 1267170577 /nfs/dbraw/zinc/17/05/77/1267170577.db2.gz NKOPFLMUGAXYDO-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001085331859 1267176635 /nfs/dbraw/zinc/17/66/35/1267176635.db2.gz BVEJYEBMQJNKJY-MDZRGWNJSA-N 1 3 341.515 2.872 20 0 EFADHO Cc1c(CNCCC[NH+]2CCC(O)CC2)sc2nc(C)nc(C)c12 ZINC000735084063 1267200387 /nfs/dbraw/zinc/20/03/87/1267200387.db2.gz CIJDXQZBIOOAJN-UHFFFAOYSA-N 1 3 348.516 2.553 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)C1CC1 ZINC000946623568 1267217152 /nfs/dbraw/zinc/21/71/52/1267217152.db2.gz MLICNQKPLQXKLR-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)C1CC1 ZINC000946623568 1267217156 /nfs/dbraw/zinc/21/71/56/1267217156.db2.gz MLICNQKPLQXKLR-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H](C4CC4)N(C)C)CC[C@@H]3C2)C1 ZINC000946624045 1267221984 /nfs/dbraw/zinc/22/19/84/1267221984.db2.gz ZUHSFLNHUIJVLA-FUODXZFOSA-N 1 3 347.547 2.543 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H](C4CC4)N(C)C)CC[C@@H]3C2)C1 ZINC000946624045 1267221986 /nfs/dbraw/zinc/22/19/86/1267221986.db2.gz ZUHSFLNHUIJVLA-FUODXZFOSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545446 1267266419 /nfs/dbraw/zinc/26/64/19/1267266419.db2.gz CKMZGBVWRIALOZ-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545446 1267266427 /nfs/dbraw/zinc/26/64/27/1267266427.db2.gz CKMZGBVWRIALOZ-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545448 1267267450 /nfs/dbraw/zinc/26/74/50/1267267450.db2.gz CKMZGBVWRIALOZ-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545448 1267267463 /nfs/dbraw/zinc/26/74/63/1267267463.db2.gz CKMZGBVWRIALOZ-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547536 1267271323 /nfs/dbraw/zinc/27/13/23/1267271323.db2.gz OJLHZJLUTAECOB-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547536 1267271329 /nfs/dbraw/zinc/27/13/29/1267271329.db2.gz OJLHZJLUTAECOB-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004549220 1267273202 /nfs/dbraw/zinc/27/32/02/1267273202.db2.gz VKMGCNKUMJFBIP-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004549220 1267273210 /nfs/dbraw/zinc/27/32/10/1267273210.db2.gz VKMGCNKUMJFBIP-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004548555 1267273858 /nfs/dbraw/zinc/27/38/58/1267273858.db2.gz RSBIJSPQLICZOM-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004548555 1267273869 /nfs/dbraw/zinc/27/38/69/1267273869.db2.gz RSBIJSPQLICZOM-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004549269 1267274946 /nfs/dbraw/zinc/27/49/46/1267274946.db2.gz WWSFSJOUUVWCMC-HYMNUWHNSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004549269 1267274958 /nfs/dbraw/zinc/27/49/58/1267274958.db2.gz WWSFSJOUUVWCMC-HYMNUWHNSA-N 1 3 341.927 2.782 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001004585654 1267341755 /nfs/dbraw/zinc/34/17/55/1267341755.db2.gz IPTBLNMDPJYQLH-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001004585654 1267341767 /nfs/dbraw/zinc/34/17/67/1267341767.db2.gz IPTBLNMDPJYQLH-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614496 1267383521 /nfs/dbraw/zinc/38/35/21/1267383521.db2.gz BXTGRFBTALRNJC-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614496 1267383532 /nfs/dbraw/zinc/38/35/32/1267383532.db2.gz BXTGRFBTALRNJC-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004615889 1267407907 /nfs/dbraw/zinc/40/79/07/1267407907.db2.gz ISYUWYLBONYECL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004615889 1267407910 /nfs/dbraw/zinc/40/79/10/1267407910.db2.gz ISYUWYLBONYECL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2Cl)C1 ZINC001085422034 1267427806 /nfs/dbraw/zinc/42/78/06/1267427806.db2.gz FTJCZHJFYCGCPP-CGTJXYLNSA-N 1 3 349.906 2.809 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2Cl)C1 ZINC001085422034 1267427811 /nfs/dbraw/zinc/42/78/11/1267427811.db2.gz FTJCZHJFYCGCPP-CGTJXYLNSA-N 1 3 349.906 2.809 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128532993 1267695161 /nfs/dbraw/zinc/69/51/61/1267695161.db2.gz CZOSJYUIKLXZQL-IBGZPJMESA-N 1 3 349.494 2.840 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)c1ccc(F)cc1 ZINC001128544655 1267759692 /nfs/dbraw/zinc/75/96/92/1267759692.db2.gz OJBONUBSDJHRFR-IAGOWNOFSA-N 1 3 341.446 2.663 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085594562 1267943196 /nfs/dbraw/zinc/94/31/96/1267943196.db2.gz JTBDPJOTOINUQN-MOPGFXCFSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085594562 1267943202 /nfs/dbraw/zinc/94/32/02/1267943202.db2.gz JTBDPJOTOINUQN-MOPGFXCFSA-N 1 3 347.547 2.972 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001113644377 1278370903 /nfs/dbraw/zinc/37/09/03/1278370903.db2.gz UQDLAJBAJMPKCQ-HSALFYBXSA-N 1 3 347.547 2.833 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085628669 1268048497 /nfs/dbraw/zinc/04/84/97/1268048497.db2.gz CKJYNCODWHTRQM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085628669 1268048506 /nfs/dbraw/zinc/04/85/06/1268048506.db2.gz CKJYNCODWHTRQM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085629254 1268052715 /nfs/dbraw/zinc/05/27/15/1268052715.db2.gz QBKZXRIGXOGBLL-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085629254 1268052726 /nfs/dbraw/zinc/05/27/26/1268052726.db2.gz QBKZXRIGXOGBLL-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085629373 1268054183 /nfs/dbraw/zinc/05/41/83/1268054183.db2.gz SFWMQWWPMCMDNW-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085629373 1268054194 /nfs/dbraw/zinc/05/41/94/1268054194.db2.gz SFWMQWWPMCMDNW-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC2(CCC2)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695954 1268212169 /nfs/dbraw/zinc/21/21/69/1268212169.db2.gz VZUQRBLPIHPHBG-SFHVURJKSA-N 1 3 345.531 2.728 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004946824 1268232511 /nfs/dbraw/zinc/23/25/11/1268232511.db2.gz YUUMWOSTUJWPSR-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742588 1268394444 /nfs/dbraw/zinc/39/44/44/1268394444.db2.gz UCWFPRARHHLHNP-SFHVURJKSA-N 1 3 331.504 2.737 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779220 1268508719 /nfs/dbraw/zinc/50/87/19/1268508719.db2.gz KCYHTVJGDMUGOK-RLLQIKCJSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779220 1268508725 /nfs/dbraw/zinc/50/87/25/1268508725.db2.gz KCYHTVJGDMUGOK-RLLQIKCJSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085784619 1268521278 /nfs/dbraw/zinc/52/12/78/1268521278.db2.gz YGPUHBQXPNYTRX-YTQUADARSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085784619 1268521270 /nfs/dbraw/zinc/52/12/70/1268521270.db2.gz YGPUHBQXPNYTRX-YTQUADARSA-N 1 3 335.536 2.830 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123645 1268583372 /nfs/dbraw/zinc/58/33/72/1268583372.db2.gz AIDMMASLHHBDKK-CMKODMSKSA-N 1 3 333.520 2.607 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123645 1268583376 /nfs/dbraw/zinc/58/33/76/1268583376.db2.gz AIDMMASLHHBDKK-CMKODMSKSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798789 1268594054 /nfs/dbraw/zinc/59/40/54/1268594054.db2.gz AKSBQYWZGCDPAQ-IEBWSBKVSA-N 1 3 343.515 2.931 20 0 EFADHO CCCc1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001273363938 1268642600 /nfs/dbraw/zinc/64/26/00/1268642600.db2.gz SMJUWMKRLDOVFQ-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033294741 1268690188 /nfs/dbraw/zinc/69/01/88/1268690188.db2.gz CZZOYKDNKUILRE-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033294741 1268690195 /nfs/dbraw/zinc/69/01/95/1268690195.db2.gz CZZOYKDNKUILRE-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128757 1268693804 /nfs/dbraw/zinc/69/38/04/1268693804.db2.gz WJXADQXDFLHBDZ-PXNSSMCTSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128757 1268693807 /nfs/dbraw/zinc/69/38/07/1268693807.db2.gz WJXADQXDFLHBDZ-PXNSSMCTSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033320161 1268771902 /nfs/dbraw/zinc/77/19/02/1268771902.db2.gz SHLMVWJKJSYNHK-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033320161 1268771911 /nfs/dbraw/zinc/77/19/11/1268771911.db2.gz SHLMVWJKJSYNHK-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001033361417 1268937198 /nfs/dbraw/zinc/93/71/98/1268937198.db2.gz MWKQSOQIQSFBDE-YSIASYRMSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001033361417 1268937203 /nfs/dbraw/zinc/93/72/03/1268937203.db2.gz MWKQSOQIQSFBDE-YSIASYRMSA-N 1 3 343.515 2.758 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001033398093 1269017174 /nfs/dbraw/zinc/01/71/74/1269017174.db2.gz VPYBLPSGHVONFH-FQEVSTJZSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033414541 1269079792 /nfs/dbraw/zinc/07/97/92/1269079792.db2.gz CMWBGKGPYOIIIE-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033414541 1269079804 /nfs/dbraw/zinc/07/98/04/1269079804.db2.gz CMWBGKGPYOIIIE-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415463 1269084359 /nfs/dbraw/zinc/08/43/59/1269084359.db2.gz ISNCUALIELXFPH-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415463 1269084366 /nfs/dbraw/zinc/08/43/66/1269084366.db2.gz ISNCUALIELXFPH-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415472 1269084474 /nfs/dbraw/zinc/08/44/74/1269084474.db2.gz ISNCUALIELXFPH-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415472 1269084485 /nfs/dbraw/zinc/08/44/85/1269084485.db2.gz ISNCUALIELXFPH-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033417043 1269089921 /nfs/dbraw/zinc/08/99/21/1269089921.db2.gz UOCGPCXONKQMDN-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033417043 1269089932 /nfs/dbraw/zinc/08/99/32/1269089932.db2.gz UOCGPCXONKQMDN-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001033418813 1269099120 /nfs/dbraw/zinc/09/91/20/1269099120.db2.gz DBMHTFJOCKVNLF-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001033418813 1269099132 /nfs/dbraw/zinc/09/91/32/1269099132.db2.gz DBMHTFJOCKVNLF-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085919320 1269104086 /nfs/dbraw/zinc/10/40/86/1269104086.db2.gz YUQLJKRLVSJEDU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085919320 1269104094 /nfs/dbraw/zinc/10/40/94/1269104094.db2.gz YUQLJKRLVSJEDU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085919320 1269104099 /nfs/dbraw/zinc/10/40/99/1269104099.db2.gz YUQLJKRLVSJEDU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085919320 1269104106 /nfs/dbraw/zinc/10/41/06/1269104106.db2.gz YUQLJKRLVSJEDU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cc(OC)ccc2OC)C[C@@H]1C ZINC000740884261 1269152249 /nfs/dbraw/zinc/15/22/49/1269152249.db2.gz SSLXRXIYXXWTGK-RLFYNMQTSA-N 1 3 336.476 2.542 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc(OC)ccc2OC)C[C@@H]1C ZINC000740884261 1269152257 /nfs/dbraw/zinc/15/22/57/1269152257.db2.gz SSLXRXIYXXWTGK-RLFYNMQTSA-N 1 3 336.476 2.542 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033472625 1269259337 /nfs/dbraw/zinc/25/93/37/1269259337.db2.gz ZILVNWJLUPGZFH-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033472625 1269259342 /nfs/dbraw/zinc/25/93/42/1269259342.db2.gz ZILVNWJLUPGZFH-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001005177916 1269337392 /nfs/dbraw/zinc/33/73/92/1269337392.db2.gz FXYYFMOEOWJISX-IBGZPJMESA-N 1 3 347.478 2.673 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001005180387 1269339164 /nfs/dbraw/zinc/33/91/64/1269339164.db2.gz RTYCXFODNSRZDA-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCCc2ccsc2)CC1 ZINC001005181019 1269341605 /nfs/dbraw/zinc/34/16/05/1269341605.db2.gz UZJWWFCTTSLUEI-GOSISDBHSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001005183443 1269353440 /nfs/dbraw/zinc/35/34/40/1269353440.db2.gz IMZSQSIKZYPQBX-QGZVFWFLSA-N 1 3 335.517 2.574 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001005186214 1269355808 /nfs/dbraw/zinc/35/58/08/1269355808.db2.gz ZAAAVBVOGPXRLV-VQTJNVASSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC2CC2)c1 ZINC001085984419 1269410384 /nfs/dbraw/zinc/41/03/84/1269410384.db2.gz CNCWEVSAVPUAFR-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CC2)c1 ZINC001085984419 1269410386 /nfs/dbraw/zinc/41/03/86/1269410386.db2.gz CNCWEVSAVPUAFR-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984841 1269412271 /nfs/dbraw/zinc/41/22/71/1269412271.db2.gz OBGDEOVUKPEZMX-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984841 1269412276 /nfs/dbraw/zinc/41/22/76/1269412276.db2.gz OBGDEOVUKPEZMX-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033573397 1269470960 /nfs/dbraw/zinc/47/09/60/1269470960.db2.gz GQYOOZKKHCYHKP-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033573397 1269470963 /nfs/dbraw/zinc/47/09/63/1269470963.db2.gz GQYOOZKKHCYHKP-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033574695 1269476857 /nfs/dbraw/zinc/47/68/57/1269476857.db2.gz MAGXPSVRSHZLKM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033574695 1269476859 /nfs/dbraw/zinc/47/68/59/1269476859.db2.gz MAGXPSVRSHZLKM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579970 1269484857 /nfs/dbraw/zinc/48/48/57/1269484857.db2.gz BXFPDFRBQNYWGG-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579970 1269484860 /nfs/dbraw/zinc/48/48/60/1269484860.db2.gz BXFPDFRBQNYWGG-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579974 1269485862 /nfs/dbraw/zinc/48/58/62/1269485862.db2.gz BXFPDFRBQNYWGG-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579974 1269485867 /nfs/dbraw/zinc/48/58/67/1269485867.db2.gz BXFPDFRBQNYWGG-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C)c1ccncc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033586175 1269499789 /nfs/dbraw/zinc/49/97/89/1269499789.db2.gz RUDWESVFGRARLH-OAHLLOKOSA-N 1 3 344.484 2.556 20 0 EFADHO CN(C)c1ccncc1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033586175 1269499793 /nfs/dbraw/zinc/49/97/93/1269499793.db2.gz RUDWESVFGRARLH-OAHLLOKOSA-N 1 3 344.484 2.556 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033663772 1269726687 /nfs/dbraw/zinc/72/66/87/1269726687.db2.gz YWRIHJWRMZQBDR-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033663772 1269726698 /nfs/dbraw/zinc/72/66/98/1269726698.db2.gz YWRIHJWRMZQBDR-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001086085266 1269860327 /nfs/dbraw/zinc/86/03/27/1269860327.db2.gz ZBNWTVVNRNTFGG-SOLBZPMBSA-N 1 3 349.544 2.648 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001410859897 1269900355 /nfs/dbraw/zinc/90/03/55/1269900355.db2.gz LKHPPVXWLOQJBL-YXGRLTDGSA-N 1 3 341.499 2.763 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001155289142 1269942072 /nfs/dbraw/zinc/94/20/72/1269942072.db2.gz LMNJILNXMZYOTG-KFWWJZLASA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001155289142 1269942077 /nfs/dbraw/zinc/94/20/77/1269942077.db2.gz LMNJILNXMZYOTG-KFWWJZLASA-N 1 3 333.467 2.589 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086102501 1269974158 /nfs/dbraw/zinc/97/41/58/1269974158.db2.gz ZENWYLNQSAJXQM-HSALFYBXSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086102515 1269974380 /nfs/dbraw/zinc/97/43/80/1269974380.db2.gz ZVIKWDFCVVUEIO-BPQIPLTHSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033826263 1270248410 /nfs/dbraw/zinc/24/84/10/1270248410.db2.gz NPSNINVALCDMEB-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033826263 1270248420 /nfs/dbraw/zinc/24/84/20/1270248420.db2.gz NPSNINVALCDMEB-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001005392440 1270317334 /nfs/dbraw/zinc/31/73/34/1270317334.db2.gz ZLCIGWMTFIUXIC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033827595 1270336216 /nfs/dbraw/zinc/33/62/16/1270336216.db2.gz GRGLNYNEZZANKC-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033827595 1270336224 /nfs/dbraw/zinc/33/62/24/1270336224.db2.gz GRGLNYNEZZANKC-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001410952138 1270421930 /nfs/dbraw/zinc/42/19/30/1270421930.db2.gz KJUFDPCPWYWCAJ-ZWKOTPCHSA-N 1 3 329.488 2.545 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001410952122 1270421985 /nfs/dbraw/zinc/42/19/85/1270421985.db2.gz KJUFDPCPWYWCAJ-QZTJIDSGSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086217276 1270509283 /nfs/dbraw/zinc/50/92/83/1270509283.db2.gz WXDYOZCXZAJLAX-QCRHNUIXSA-N 1 3 335.536 2.780 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccccc1OC(C)C ZINC001128773782 1270522941 /nfs/dbraw/zinc/52/29/41/1270522941.db2.gz DSHVETJOLJUQGC-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccccc1OC(C)C ZINC001128773782 1270522943 /nfs/dbraw/zinc/52/29/43/1270522943.db2.gz DSHVETJOLJUQGC-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000743330821 1270538304 /nfs/dbraw/zinc/53/83/04/1270538304.db2.gz VQGMSPWBHXUSGL-PKOBYXMFSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000743330820 1270538562 /nfs/dbraw/zinc/53/85/62/1270538562.db2.gz VQGMSPWBHXUSGL-MJGOQNOKSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128783603 1270646374 /nfs/dbraw/zinc/64/63/74/1270646374.db2.gz IOKTXLXNQUWYRZ-DYVFJYSZSA-N 1 3 339.430 2.606 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001128783603 1270646382 /nfs/dbraw/zinc/64/63/82/1270646382.db2.gz IOKTXLXNQUWYRZ-DYVFJYSZSA-N 1 3 339.430 2.606 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001086271982 1270784302 /nfs/dbraw/zinc/78/43/02/1270784302.db2.gz QKTZGDJNZJOEET-BHYGNILZSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001086271982 1270784306 /nfs/dbraw/zinc/78/43/06/1270784306.db2.gz QKTZGDJNZJOEET-BHYGNILZSA-N 1 3 349.906 2.585 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086277983 1270802432 /nfs/dbraw/zinc/80/24/32/1270802432.db2.gz CDHYTMBQOVOVCP-MAEOIBBWSA-N 1 3 329.488 2.646 20 0 EFADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001034014205 1270832899 /nfs/dbraw/zinc/83/28/99/1270832899.db2.gz ZNNKMDWUHFYKBY-HXUWFJFHSA-N 1 3 347.547 2.997 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040525 1270916765 /nfs/dbraw/zinc/91/67/65/1270916765.db2.gz VAANNMCDJOAWBJ-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040525 1270916768 /nfs/dbraw/zinc/91/67/68/1270916768.db2.gz VAANNMCDJOAWBJ-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045099 1270955282 /nfs/dbraw/zinc/95/52/82/1270955282.db2.gz OKIBWGRBNUPDKE-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045099 1270955289 /nfs/dbraw/zinc/95/52/89/1270955289.db2.gz OKIBWGRBNUPDKE-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086364355 1271167869 /nfs/dbraw/zinc/16/78/69/1271167869.db2.gz ASPCBDHIJCXLLK-BHIYHBOVSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086370024 1271176595 /nfs/dbraw/zinc/17/65/95/1271176595.db2.gz MHXQRNONLXSMEB-XSDHEKCYSA-N 1 3 347.478 2.711 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086370024 1271176597 /nfs/dbraw/zinc/17/65/97/1271176597.db2.gz MHXQRNONLXSMEB-XSDHEKCYSA-N 1 3 347.478 2.711 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001086381998 1271225383 /nfs/dbraw/zinc/22/53/83/1271225383.db2.gz OQCUMVOQILXMSZ-VAMGGRTRSA-N 1 3 343.515 2.588 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086382775 1271226245 /nfs/dbraw/zinc/22/62/45/1271226245.db2.gz XMXPVEDGWUVKCJ-BRWVUGGUSA-N 1 3 335.517 2.607 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113722746 1278636587 /nfs/dbraw/zinc/63/65/87/1278636587.db2.gz AACCRTVZTRLRHH-AQNXPRMDSA-N 1 3 347.547 2.833 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cccc(F)c2)C1 ZINC001034269471 1271508309 /nfs/dbraw/zinc/50/83/09/1271508309.db2.gz FDXAGRSSFTYILI-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001034269471 1271508314 /nfs/dbraw/zinc/50/83/14/1271508314.db2.gz FDXAGRSSFTYILI-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC001034273201 1271522523 /nfs/dbraw/zinc/52/25/23/1271522523.db2.gz ZZMKNMFZWFGNHP-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001034273201 1271522530 /nfs/dbraw/zinc/52/25/30/1271522530.db2.gz ZZMKNMFZWFGNHP-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001034273201 1271522538 /nfs/dbraw/zinc/52/25/38/1271522538.db2.gz ZZMKNMFZWFGNHP-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO O=C(N[C@H]1CCCC[N@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331533 1271674648 /nfs/dbraw/zinc/67/46/48/1271674648.db2.gz SWZOBCNBVQJNOZ-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331533 1271674655 /nfs/dbraw/zinc/67/46/55/1271674655.db2.gz SWZOBCNBVQJNOZ-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001034378949 1271803530 /nfs/dbraw/zinc/80/35/30/1271803530.db2.gz YQMVXGGPMGJGLG-GOSISDBHSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000746130869 1271805567 /nfs/dbraw/zinc/80/55/67/1271805567.db2.gz GHDNJQIRSJDSHE-CALCHBBNSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000746130869 1271805578 /nfs/dbraw/zinc/80/55/78/1271805578.db2.gz GHDNJQIRSJDSHE-CALCHBBNSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086497471 1271869896 /nfs/dbraw/zinc/86/98/96/1271869896.db2.gz NICITDPJHAQJCH-VAMGGRTRSA-N 1 3 343.515 2.934 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398185 1271892211 /nfs/dbraw/zinc/89/22/11/1271892211.db2.gz NITBJIPJZIAPFH-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398185 1271892219 /nfs/dbraw/zinc/89/22/19/1271892219.db2.gz NITBJIPJZIAPFH-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399325 1271896740 /nfs/dbraw/zinc/89/67/40/1271896740.db2.gz SLBFVIXAFZKVAQ-CRAIPNDOSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399325 1271896755 /nfs/dbraw/zinc/89/67/55/1271896755.db2.gz SLBFVIXAFZKVAQ-CRAIPNDOSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)N(C)C ZINC001411209318 1271965143 /nfs/dbraw/zinc/96/51/43/1271965143.db2.gz VNPAPFRXVAOGAN-GJZGRUSLSA-N 1 3 347.494 2.738 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCCN(Cc3ccsc3)C2)CC1 ZINC001034432453 1271991766 /nfs/dbraw/zinc/99/17/66/1271991766.db2.gz VXNXJZHMOBFREO-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001168754926 1272032733 /nfs/dbraw/zinc/03/27/33/1272032733.db2.gz FAHKXWITDZRNOM-SFHVURJKSA-N 1 3 335.467 2.641 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000792217729 1278677155 /nfs/dbraw/zinc/67/71/55/1278677155.db2.gz GYRXHQMDXODGSW-UHFFFAOYSA-N 1 3 346.519 2.886 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034480893 1272086151 /nfs/dbraw/zinc/08/61/51/1272086151.db2.gz OCYINOUPUQARNO-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034480893 1272086157 /nfs/dbraw/zinc/08/61/57/1272086157.db2.gz OCYINOUPUQARNO-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001411234372 1272093436 /nfs/dbraw/zinc/09/34/36/1272093436.db2.gz IMAKLGWBSMXVCK-MHJFOBGBSA-N 1 3 345.531 2.969 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486895 1272139048 /nfs/dbraw/zinc/13/90/48/1272139048.db2.gz CQWOANYLUONCBL-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486895 1272139055 /nfs/dbraw/zinc/13/90/55/1272139055.db2.gz CQWOANYLUONCBL-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000119448025 1272186131 /nfs/dbraw/zinc/18/61/31/1272186131.db2.gz TWNCALYJYHSVEB-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C/C=C/c3ccccc3)C2)C1 ZINC001034524758 1272192165 /nfs/dbraw/zinc/19/21/65/1272192165.db2.gz HRAVZQIKJVKVIX-GSSTWSARSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C/C=C/c3ccccc3)C2)C1 ZINC001034524758 1272192170 /nfs/dbraw/zinc/19/21/70/1272192170.db2.gz HRAVZQIKJVKVIX-GSSTWSARSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541091 1272249432 /nfs/dbraw/zinc/24/94/32/1272249432.db2.gz LYTLVMGGKZFKBB-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541091 1272249439 /nfs/dbraw/zinc/24/94/39/1272249439.db2.gz LYTLVMGGKZFKBB-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001168755145 1272258328 /nfs/dbraw/zinc/25/83/28/1272258328.db2.gz JAUUJFOJIFUKIT-FNORWQNLSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001168755143 1272259365 /nfs/dbraw/zinc/25/93/65/1272259365.db2.gz JAUUJFOJIFUKIT-ALCCZGGFSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824265 1272427538 /nfs/dbraw/zinc/42/75/38/1272427538.db2.gz OLDOSPFJJHWTMP-GOEBONIOSA-N 1 3 337.508 2.991 20 0 EFADHO CC[NH+](CC)CCCN[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168883118 1272483379 /nfs/dbraw/zinc/48/33/79/1272483379.db2.gz WRXIROWYYQJKBH-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001168756212 1272561779 /nfs/dbraw/zinc/56/17/79/1272561779.db2.gz WUTJFILNYLYHAA-QGZVFWFLSA-N 1 3 337.895 2.765 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001168756442 1272628523 /nfs/dbraw/zinc/62/85/23/1272628523.db2.gz YVQNCPODYCVVES-CQSZACIVSA-N 1 3 325.884 2.839 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccccc1Br)C2 ZINC001169093196 1272644382 /nfs/dbraw/zinc/64/43/82/1272644382.db2.gz FZNOZTPWPDICAC-NFFDBFGFSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC001169082035 1272657220 /nfs/dbraw/zinc/65/72/20/1272657220.db2.gz XJIBZCOJHLBYPI-QKPAOTATSA-N 1 3 339.277 2.697 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001169092318 1272672867 /nfs/dbraw/zinc/67/28/67/1272672867.db2.gz BDBKWQFFTPDUQO-OWZKRDHZSA-N 1 3 343.515 2.874 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169122866 1272678124 /nfs/dbraw/zinc/67/81/24/1272678124.db2.gz FPUDWTJAISJXNA-KHHDSSOXSA-N 1 3 347.503 2.623 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169122866 1272678131 /nfs/dbraw/zinc/67/81/31/1272678131.db2.gz FPUDWTJAISJXNA-KHHDSSOXSA-N 1 3 347.503 2.623 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3Cl)C1)C2 ZINC001169124376 1272680299 /nfs/dbraw/zinc/68/02/99/1272680299.db2.gz QNYUGMVCGZVZAO-VQHPVUNQSA-N 1 3 347.890 2.656 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125435 1272680950 /nfs/dbraw/zinc/68/09/50/1272680950.db2.gz ILWNGXHKFNVZIZ-NXOAAHMSSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125435 1272680962 /nfs/dbraw/zinc/68/09/62/1272680962.db2.gz ILWNGXHKFNVZIZ-NXOAAHMSSA-N 1 3 337.508 2.800 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)c1ccccc1NC3=O)C2 ZINC001169129867 1272689083 /nfs/dbraw/zinc/68/90/83/1272689083.db2.gz LETBVIIFVXAJFG-MUJYYYPQSA-N 1 3 325.456 2.598 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)c1ccccc1NC3=O)C2 ZINC001169129867 1272689089 /nfs/dbraw/zinc/68/90/89/1272689089.db2.gz LETBVIIFVXAJFG-MUJYYYPQSA-N 1 3 325.456 2.598 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[C@H]1CC(=O)N3c1ccsc1)C2 ZINC001169138496 1272698780 /nfs/dbraw/zinc/69/87/80/1272698780.db2.gz HRLSNWVKRSIWKN-YRVYGCIDSA-N 1 3 331.485 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@H]3[C@H]1CC(=O)N3c1ccsc1)C2 ZINC001169138496 1272698782 /nfs/dbraw/zinc/69/87/82/1272698782.db2.gz HRLSNWVKRSIWKN-YRVYGCIDSA-N 1 3 331.485 2.553 20 0 EFADHO COc1cccc(CN2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC001169109486 1272702037 /nfs/dbraw/zinc/70/20/37/1272702037.db2.gz JDRKZXWUFPPGGF-OWZKRDHZSA-N 1 3 343.515 2.874 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C2 ZINC001169142329 1272705497 /nfs/dbraw/zinc/70/54/97/1272705497.db2.gz TULSWLVSUGWFST-ZSHCYNCHSA-N 1 3 337.508 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C2 ZINC001169142329 1272705503 /nfs/dbraw/zinc/70/55/03/1272705503.db2.gz TULSWLVSUGWFST-ZSHCYNCHSA-N 1 3 337.508 2.991 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](NC(=O)c3cccc(F)c3)C1)C2 ZINC001169154981 1272715081 /nfs/dbraw/zinc/71/50/81/1272715081.db2.gz VISKWGBOXJZGEE-AKHDSKFASA-N 1 3 345.462 2.645 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](NC(=O)c3cccc(F)c3)C1)C2 ZINC001169154981 1272715082 /nfs/dbraw/zinc/71/50/82/1272715082.db2.gz VISKWGBOXJZGEE-AKHDSKFASA-N 1 3 345.462 2.645 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169153888 1272715565 /nfs/dbraw/zinc/71/55/65/1272715565.db2.gz LUKWTFHYMZTKGU-PMOLBWCYSA-N 1 3 341.499 2.848 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169153888 1272715575 /nfs/dbraw/zinc/71/55/75/1272715575.db2.gz LUKWTFHYMZTKGU-PMOLBWCYSA-N 1 3 341.499 2.848 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001169155340 1272719371 /nfs/dbraw/zinc/71/93/71/1272719371.db2.gz NICFBBWWGLQCLI-BWTSREIZSA-N 1 3 333.520 2.726 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001169155340 1272719378 /nfs/dbraw/zinc/71/93/78/1272719378.db2.gz NICFBBWWGLQCLI-BWTSREIZSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001034735618 1272763018 /nfs/dbraw/zinc/76/30/18/1272763018.db2.gz JKIXPKQSHSBHIB-IHPCNDPISA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001034735986 1272763269 /nfs/dbraw/zinc/76/32/69/1272763269.db2.gz RMWDNOFGTVMZBL-ATZDWAIDSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001034735686 1272763375 /nfs/dbraw/zinc/76/33/75/1272763375.db2.gz LYDDWQDZARFTEL-ATZDWAIDSA-N 1 3 347.478 2.827 20 0 EFADHO CCN1CCC([NH+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@@H]3C2)CC1 ZINC001169249704 1272773189 /nfs/dbraw/zinc/77/31/89/1272773189.db2.gz JYDJERAMWJKMCW-WOJBJXKFSA-N 1 3 327.516 2.843 20 0 EFADHO CC[NH+]1CCC(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169254850 1272777277 /nfs/dbraw/zinc/77/72/77/1272777277.db2.gz JGOBEBGWQIFZIB-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H]1CN(Cc2ccc(Br)cc2N)CCC[C@@H]1C[NH3+] ZINC001206005860 1272791101 /nfs/dbraw/zinc/79/11/01/1272791101.db2.gz ZAHOYGJNCSIYJN-NWDGAFQWSA-N 1 3 326.282 2.838 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001169448076 1272923327 /nfs/dbraw/zinc/92/33/27/1272923327.db2.gz ZTFPNMGEPBNSTJ-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001169452728 1272926748 /nfs/dbraw/zinc/92/67/48/1272926748.db2.gz QPDCORWZPKCCBG-HNNXBMFYSA-N 1 3 335.467 2.723 20 0 EFADHO Cc1c(F)cc(F)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001143769064 1278745003 /nfs/dbraw/zinc/74/50/03/1278745003.db2.gz GMPKOCBFYDKIHG-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001034787077 1272963541 /nfs/dbraw/zinc/96/35/41/1272963541.db2.gz WTBPIFWSFLYPPQ-QAQDUYKDSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)CC1 ZINC001034786639 1272964229 /nfs/dbraw/zinc/96/42/29/1272964229.db2.gz PDJHZFQLRXKRON-IYARVYRRSA-N 1 3 340.471 2.786 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001129334828 1272994914 /nfs/dbraw/zinc/99/49/14/1272994914.db2.gz OUDZBUKLEZIOEB-RDJZCZTQSA-N 1 3 335.467 2.570 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001129334828 1272994923 /nfs/dbraw/zinc/99/49/23/1272994923.db2.gz OUDZBUKLEZIOEB-RDJZCZTQSA-N 1 3 335.467 2.570 20 0 EFADHO c1ccc2c(c1)cc(N1CCOCC1)nc2NCC[C@H]1CCC[NH2+]1 ZINC001169563218 1273006571 /nfs/dbraw/zinc/00/65/71/1273006571.db2.gz WZCNENZAJWJEDN-MRXNPFEDSA-N 1 3 326.444 2.625 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([N@H+](CCCN)C2CCCCC2)CC1 ZINC001169645368 1273061825 /nfs/dbraw/zinc/06/18/25/1273061825.db2.gz MZTRWIFQTACTPK-QGZVFWFLSA-N 1 3 325.497 2.981 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001169645368 1273061832 /nfs/dbraw/zinc/06/18/32/1273061832.db2.gz MZTRWIFQTACTPK-QGZVFWFLSA-N 1 3 325.497 2.981 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001129341049 1273062059 /nfs/dbraw/zinc/06/20/59/1273062059.db2.gz SEHNIRTYSOQALW-QGZVFWFLSA-N 1 3 343.471 2.617 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001129341049 1273062065 /nfs/dbraw/zinc/06/20/65/1273062065.db2.gz SEHNIRTYSOQALW-QGZVFWFLSA-N 1 3 343.471 2.617 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741600 1273128185 /nfs/dbraw/zinc/12/81/85/1273128185.db2.gz AGWJCZRYGRSKCG-IPMKNSEASA-N 1 3 329.488 2.754 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741600 1273128190 /nfs/dbraw/zinc/12/81/90/1273128190.db2.gz AGWJCZRYGRSKCG-IPMKNSEASA-N 1 3 329.488 2.754 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747164 1273131224 /nfs/dbraw/zinc/13/12/24/1273131224.db2.gz VPRMTVSRXLWYIF-MOPGFXCFSA-N 1 3 329.488 2.611 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747164 1273131230 /nfs/dbraw/zinc/13/12/30/1273131230.db2.gz VPRMTVSRXLWYIF-MOPGFXCFSA-N 1 3 329.488 2.611 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034884844 1273150094 /nfs/dbraw/zinc/15/00/94/1273150094.db2.gz MBYFATZCXFNAMI-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H](CCCC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@@H]1CCCN1C ZINC001169809935 1273176021 /nfs/dbraw/zinc/17/60/21/1273176021.db2.gz MLXIOAFSJBQABD-JBUYOTSVSA-N 1 3 336.307 2.664 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957026 1273271627 /nfs/dbraw/zinc/27/16/27/1273271627.db2.gz IBYTVAPMPVINGB-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC001034958085 1273272537 /nfs/dbraw/zinc/27/25/37/1273272537.db2.gz ZGGCPUVLEHIEHO-GOSISDBHSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001034960472 1273273108 /nfs/dbraw/zinc/27/31/08/1273273108.db2.gz LEYRYBYFWBISRM-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001034957989 1273273153 /nfs/dbraw/zinc/27/31/53/1273273153.db2.gz SMVYWYATPLCKJB-GOSISDBHSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001034958867 1273274541 /nfs/dbraw/zinc/27/45/41/1273274541.db2.gz MWNAQHXTUNBELF-MOPGFXCFSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001034958647 1273274587 /nfs/dbraw/zinc/27/45/87/1273274587.db2.gz LTGAYZCSEHTXFN-QUCCMNQESA-N 1 3 343.515 2.724 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001034972281 1273288445 /nfs/dbraw/zinc/28/84/45/1273288445.db2.gz DVWVROLYKIOTAA-SJLPKXTDSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001034974135 1273293840 /nfs/dbraw/zinc/29/38/40/1273293840.db2.gz FHLBBUSWHGGVOI-SJLPKXTDSA-N 1 3 343.471 2.854 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001034974195 1273296461 /nfs/dbraw/zinc/29/64/61/1273296461.db2.gz FPMLNCATNWOCII-KVSKMBFKSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001034974933 1273298071 /nfs/dbraw/zinc/29/80/71/1273298071.db2.gz MCUOTAYHEVYETR-ZTFGCOKTSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001034975629 1273299247 /nfs/dbraw/zinc/29/92/47/1273299247.db2.gz VVGUPVSRVBSHMA-IAGOWNOFSA-N 1 3 337.533 2.786 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001035014223 1273388669 /nfs/dbraw/zinc/38/86/69/1273388669.db2.gz SSDATDAUJVXSBB-BMGDILEWSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1F ZINC000844188605 1278784197 /nfs/dbraw/zinc/78/41/97/1278784197.db2.gz XKWPTCGDIVWKBP-GOSISDBHSA-N 1 3 327.403 2.713 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001035062324 1273449079 /nfs/dbraw/zinc/44/90/79/1273449079.db2.gz FRKDJOWIEHWJAP-DOTOQJQBSA-N 1 3 326.444 2.602 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001035048956 1273465363 /nfs/dbraw/zinc/46/53/63/1273465363.db2.gz KUUHPMZEIMVMNY-KBXCAEBGSA-N 1 3 349.544 2.787 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001035048398 1273465870 /nfs/dbraw/zinc/46/58/70/1273465870.db2.gz QCCILFZNBYQIRN-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001035052145 1273469783 /nfs/dbraw/zinc/46/97/83/1273469783.db2.gz FPMLNCATNWOCII-SUMDDJOVSA-N 1 3 347.503 2.677 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1C ZINC001035051153 1273469991 /nfs/dbraw/zinc/46/99/91/1273469991.db2.gz KKCUBILIYLMYCK-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001035052923 1273471423 /nfs/dbraw/zinc/47/14/23/1273471423.db2.gz ZPDQWZOXEPWPNI-SJORKVTESA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108783702 1273480717 /nfs/dbraw/zinc/48/07/17/1273480717.db2.gz AZWGPVFISOVHLU-OTWHNJEPSA-N 1 3 333.520 2.654 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001035085494 1273491118 /nfs/dbraw/zinc/49/11/18/1273491118.db2.gz FCNYULLZQHTGOH-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001035085413 1273491476 /nfs/dbraw/zinc/49/14/76/1273491476.db2.gz AKQNHOIDQWJBOF-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)cs1 ZINC001035086591 1273492690 /nfs/dbraw/zinc/49/26/90/1273492690.db2.gz WUHFLRZKBHSXKA-GOSISDBHSA-N 1 3 349.544 2.869 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)CC1 ZINC001035086741 1273492790 /nfs/dbraw/zinc/49/27/90/1273492790.db2.gz ZKUPKHUNYWJVFH-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)cc1 ZINC001035086633 1273492912 /nfs/dbraw/zinc/49/29/12/1273492912.db2.gz YXEUQODZOQFCEN-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035125662 1273589307 /nfs/dbraw/zinc/58/93/07/1273589307.db2.gz LRNIEYYDJJKIGT-HZPDHXFCSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035125662 1273589315 /nfs/dbraw/zinc/58/93/15/1273589315.db2.gz LRNIEYYDJJKIGT-HZPDHXFCSA-N 1 3 349.906 2.681 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001035125594 1273590146 /nfs/dbraw/zinc/59/01/46/1273590146.db2.gz KIQBGIJZYWCNGI-LJQANCHMSA-N 1 3 341.499 2.740 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035127670 1273591153 /nfs/dbraw/zinc/59/11/53/1273591153.db2.gz WBBOASZGBBZSQV-GOSISDBHSA-N 1 3 349.906 2.825 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001035127719 1273591614 /nfs/dbraw/zinc/59/16/14/1273591614.db2.gz XJDZMNBLVZTQES-CRAIPNDOSA-N 1 3 333.451 2.563 20 0 EFADHO Cc1cc(N2CCN(CCCCCCC[NH3+])CC2)nc(C(C)C)n1 ZINC000844221333 1278798900 /nfs/dbraw/zinc/79/89/00/1278798900.db2.gz CYSDASJDLGYCFF-UHFFFAOYSA-N 1 3 333.524 2.940 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001035166114 1273633608 /nfs/dbraw/zinc/63/36/08/1273633608.db2.gz GQIFURUMTMPFGA-LJQANCHMSA-N 1 3 345.531 2.896 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001035166114 1273633616 /nfs/dbraw/zinc/63/36/16/1273633616.db2.gz GQIFURUMTMPFGA-LJQANCHMSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H](C(=O)NCCCCCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000844201849 1278806553 /nfs/dbraw/zinc/80/65/53/1278806553.db2.gz UZJKRACKFKDOSV-GOSISDBHSA-N 1 3 345.531 2.965 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196816 1273759151 /nfs/dbraw/zinc/75/91/51/1273759151.db2.gz PJSSEGINKBLLEE-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196816 1273759152 /nfs/dbraw/zinc/75/91/52/1273759152.db2.gz PJSSEGINKBLLEE-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](CC4CCC4)C3)CC2)CCC1 ZINC001035193635 1273815917 /nfs/dbraw/zinc/81/59/17/1273815917.db2.gz JUQYWKRZLTZASE-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](CC4CCC4)C3)CC2)CCC1 ZINC001035193635 1273815930 /nfs/dbraw/zinc/81/59/30/1273815930.db2.gz JUQYWKRZLTZASE-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194563 1273816907 /nfs/dbraw/zinc/81/69/07/1273816907.db2.gz SQAODMZABQJDIF-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194563 1273816915 /nfs/dbraw/zinc/81/69/15/1273816915.db2.gz SQAODMZABQJDIF-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194710 1273817652 /nfs/dbraw/zinc/81/76/52/1273817652.db2.gz ZBXMBBCFVSCVCD-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194710 1273817658 /nfs/dbraw/zinc/81/76/58/1273817658.db2.gz ZBXMBBCFVSCVCD-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001035194694 1273817763 /nfs/dbraw/zinc/81/77/63/1273817763.db2.gz YLEANPSWYINAPC-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001035194694 1273817776 /nfs/dbraw/zinc/81/77/76/1273817776.db2.gz YLEANPSWYINAPC-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194350 1273818567 /nfs/dbraw/zinc/81/85/67/1273818567.db2.gz INYCBBJBPSOHSE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194350 1273818573 /nfs/dbraw/zinc/81/85/73/1273818573.db2.gz INYCBBJBPSOHSE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)C1CCC1 ZINC001035194532 1273818904 /nfs/dbraw/zinc/81/89/04/1273818904.db2.gz QKIZGTASZJSKLJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)C1CCC1 ZINC001035194532 1273818914 /nfs/dbraw/zinc/81/89/14/1273818914.db2.gz QKIZGTASZJSKLJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035227685 1273850336 /nfs/dbraw/zinc/85/03/36/1273850336.db2.gz VTSWYYJKYUACDU-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035227685 1273850346 /nfs/dbraw/zinc/85/03/46/1273850346.db2.gz VTSWYYJKYUACDU-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232135 1273941687 /nfs/dbraw/zinc/94/16/87/1273941687.db2.gz YJLUXMKXLBSPKZ-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CCC(CC)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035232135 1273941694 /nfs/dbraw/zinc/94/16/94/1273941694.db2.gz YJLUXMKXLBSPKZ-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109361069 1274192183 /nfs/dbraw/zinc/19/21/83/1274192183.db2.gz KUZMRUSNFVVERG-BDXSIMOUSA-N 1 3 341.515 2.824 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109361069 1274192187 /nfs/dbraw/zinc/19/21/87/1274192187.db2.gz KUZMRUSNFVVERG-BDXSIMOUSA-N 1 3 341.515 2.824 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)N(C)C ZINC001109426917 1274263830 /nfs/dbraw/zinc/26/38/30/1274263830.db2.gz FMQFZQPGQJRXSJ-UBDQQSCGSA-N 1 3 349.544 2.598 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)N(C)C ZINC001109426917 1274263837 /nfs/dbraw/zinc/26/38/37/1274263837.db2.gz FMQFZQPGQJRXSJ-UBDQQSCGSA-N 1 3 349.544 2.598 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)C1CC1 ZINC001035720166 1274406554 /nfs/dbraw/zinc/40/65/54/1274406554.db2.gz HCDIYTCFRUVZJL-SFHVURJKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1)C1CCC1 ZINC001035722266 1274408648 /nfs/dbraw/zinc/40/86/48/1274408648.db2.gz NGKHRAVBMSXBQS-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CCCC4CCC4)C3)CC2)CCC1 ZINC001035724194 1274412409 /nfs/dbraw/zinc/41/24/09/1274412409.db2.gz UYLYQSFILOCRDO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001035732554 1274422280 /nfs/dbraw/zinc/42/22/80/1274422280.db2.gz FPQMNSZASNXOQD-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001035732555 1274422461 /nfs/dbraw/zinc/42/24/61/1274422461.db2.gz FPQMNSZASNXOQD-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)N(C)C ZINC001035733198 1274423241 /nfs/dbraw/zinc/42/32/41/1274423241.db2.gz OTXYMFYBCSAJND-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF)N1CCCC1 ZINC001109589724 1274452324 /nfs/dbraw/zinc/45/23/24/1274452324.db2.gz CAJDNDLGGQBUFL-IKGGRYGDSA-N 1 3 339.499 2.722 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF)N1CCCC1 ZINC001109589724 1274452327 /nfs/dbraw/zinc/45/23/27/1274452327.db2.gz CAJDNDLGGQBUFL-IKGGRYGDSA-N 1 3 339.499 2.722 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)N(C)C ZINC001035797118 1274494566 /nfs/dbraw/zinc/49/45/66/1274494566.db2.gz UKKAPEZUDPLBNC-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC001035798796 1274496835 /nfs/dbraw/zinc/49/68/35/1274496835.db2.gz PBYFFVKDVLGCDY-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001035798882 1274497219 /nfs/dbraw/zinc/49/72/19/1274497219.db2.gz RBGOMRYCWBKNQP-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035799240 1274497245 /nfs/dbraw/zinc/49/72/45/1274497245.db2.gz WTYPHQLYSGJQLO-SFHVURJKSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001035799240 1274497248 /nfs/dbraw/zinc/49/72/48/1274497248.db2.gz WTYPHQLYSGJQLO-SFHVURJKSA-N 1 3 341.499 2.595 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(C[NH+](CC4CCCC4)C3)CC2)CC1 ZINC001035821024 1274516471 /nfs/dbraw/zinc/51/64/71/1274516471.db2.gz PNHKGDZKWHYBAS-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651355 1274518112 /nfs/dbraw/zinc/51/81/12/1274518112.db2.gz WNVSWDBOQDIWGH-YSHGAJCASA-N 1 3 341.499 2.811 20 0 EFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)cc1 ZINC001109653841 1274522995 /nfs/dbraw/zinc/52/29/95/1274522995.db2.gz JHVKWLYIQFVIHS-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001035804983 1274529853 /nfs/dbraw/zinc/52/98/53/1274529853.db2.gz XBWXYZDQZYSESJ-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C2CC2)cc1 ZINC001109673823 1274546319 /nfs/dbraw/zinc/54/63/19/1274546319.db2.gz RKQIYEOLKPSGSB-AABGKKOBSA-N 1 3 341.499 2.737 20 0 EFADHO CC(C)c1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674692 1274547298 /nfs/dbraw/zinc/54/72/98/1274547298.db2.gz ZLKQLNVSIIYQHR-HOJAQTOUSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)N(C)C ZINC001109688346 1274555201 /nfs/dbraw/zinc/55/52/01/1274555201.db2.gz KMSSVOJSEDZRKR-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)N(C)C ZINC001109688346 1274555208 /nfs/dbraw/zinc/55/52/08/1274555208.db2.gz KMSSVOJSEDZRKR-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO Cc1cccc(C[NH+]2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)c1 ZINC001035851195 1274558624 /nfs/dbraw/zinc/55/86/24/1274558624.db2.gz IECSHNVTLIWFHA-UHFFFAOYSA-N 1 3 341.499 2.515 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CC3CC4(CCC4)C3)C2)CC1 ZINC001035851771 1274558727 /nfs/dbraw/zinc/55/87/27/1274558727.db2.gz WNSJWZGONRPDGF-UHFFFAOYSA-N 1 3 345.531 2.587 20 0 EFADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035854946 1274601421 /nfs/dbraw/zinc/60/14/21/1274601421.db2.gz AYARWGDYQOIYDZ-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1 ZINC001035856968 1274605444 /nfs/dbraw/zinc/60/54/44/1274605444.db2.gz HDUMMXSYSCORSF-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035857974 1274607178 /nfs/dbraw/zinc/60/71/78/1274607178.db2.gz OKGOGBJRUMMBMT-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001035858211 1274610356 /nfs/dbraw/zinc/61/03/56/1274610356.db2.gz QDHXBLHCXSAPJL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001035858669 1274611366 /nfs/dbraw/zinc/61/13/66/1274611366.db2.gz YJBPGLYKFHJPDN-ACBHZAAOSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035858773 1274611735 /nfs/dbraw/zinc/61/17/35/1274611735.db2.gz ZMMLMCYBEWZZBD-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109927119 1274843123 /nfs/dbraw/zinc/84/31/23/1274843123.db2.gz VYTVLTKDNBEUBY-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001109927119 1274843131 /nfs/dbraw/zinc/84/31/31/1274843131.db2.gz VYTVLTKDNBEUBY-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036052835 1274977002 /nfs/dbraw/zinc/97/70/02/1274977002.db2.gz CDDAVRPFDMACBN-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036055999 1274982488 /nfs/dbraw/zinc/98/24/88/1274982488.db2.gz SLZZVEISQATKKT-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036056641 1274984394 /nfs/dbraw/zinc/98/43/94/1274984394.db2.gz WEHUPJYFIODAQW-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCc1cccs1 ZINC001036063668 1274994441 /nfs/dbraw/zinc/99/44/41/1274994441.db2.gz KMZKBQVJINTUSS-CRAIPNDOSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036069640 1275025068 /nfs/dbraw/zinc/02/50/68/1275025068.db2.gz ZBMKSPFCZBIEKE-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112548802 1275129270 /nfs/dbraw/zinc/12/92/70/1275129270.db2.gz SHYJIVKKDKBMPW-ICSRJNTNSA-N 1 3 335.536 2.737 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112548637 1275129582 /nfs/dbraw/zinc/12/95/82/1275129582.db2.gz JCIMUIQWDBHIIU-PXNSSMCTSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036197051 1275210033 /nfs/dbraw/zinc/21/00/33/1275210033.db2.gz BZXBYAPHQBDWLN-LPHOPBHVSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001036197179 1275210421 /nfs/dbraw/zinc/21/04/21/1275210421.db2.gz WISWJNWTXDFRHV-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)C)C1 ZINC001112567687 1275220043 /nfs/dbraw/zinc/22/00/43/1275220043.db2.gz CKHMWILNEZFUCT-ICSRJNTNSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001036204884 1275222988 /nfs/dbraw/zinc/22/29/88/1275222988.db2.gz LLFSDICMFDIMJP-QAPCUYQASA-N 1 3 330.476 2.669 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1C ZINC001036207603 1275227441 /nfs/dbraw/zinc/22/74/41/1275227441.db2.gz UEZIHHJFPSZWKI-QFBILLFUSA-N 1 3 340.471 2.596 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC001036209357 1275230325 /nfs/dbraw/zinc/23/03/25/1275230325.db2.gz XYYJEIQBOHMREH-KXBFYZLASA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036190342 1275246772 /nfs/dbraw/zinc/24/67/72/1275246772.db2.gz CWYOYSYBKZOFDS-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036191958 1275249727 /nfs/dbraw/zinc/24/97/27/1275249727.db2.gz IDQMIISWFNSNGC-WMZOPIPTSA-N 1 3 349.563 2.981 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)[C@H](C)C2)CC1 ZINC001036226858 1275256034 /nfs/dbraw/zinc/25/60/34/1275256034.db2.gz VLAXOZWIRAKQHX-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)C2)C1 ZINC001112585658 1275309563 /nfs/dbraw/zinc/30/95/63/1275309563.db2.gz KPGUMGKUCAMUIR-BZWMRVRASA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112585941 1275312202 /nfs/dbraw/zinc/31/22/02/1275312202.db2.gz AGUAPQNOEFRQJV-ICSRJNTNSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccccc1CN(C)C)C2 ZINC001112585236 1275320831 /nfs/dbraw/zinc/32/08/31/1275320831.db2.gz JSAVLWULLYHOBS-RXVVDRJESA-N 1 3 343.515 2.990 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001036303953 1275386989 /nfs/dbraw/zinc/38/69/89/1275386989.db2.gz NTETZEIANLAAJD-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786784157 1275527601 /nfs/dbraw/zinc/52/76/01/1275527601.db2.gz AOCAPMNUACCMAJ-INIZCTEOSA-N 1 3 344.503 2.987 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036419453 1275570089 /nfs/dbraw/zinc/57/00/89/1275570089.db2.gz WLIJHTWTQMEJRW-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036419449 1275570327 /nfs/dbraw/zinc/57/03/27/1275570327.db2.gz WLIJHTWTQMEJRW-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036419441 1275570340 /nfs/dbraw/zinc/57/03/40/1275570340.db2.gz WLIJHTWTQMEJRW-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001036398830 1275584838 /nfs/dbraw/zinc/58/48/38/1275584838.db2.gz BVSBTBVEBIZZDC-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036408295 1275595187 /nfs/dbraw/zinc/59/51/87/1275595187.db2.gz AAAFEBIZFBEAGC-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786924875 1275597635 /nfs/dbraw/zinc/59/76/35/1275597635.db2.gz BDLSYEXDRAJTIA-INIZCTEOSA-N 1 3 344.503 2.989 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001036448404 1275605806 /nfs/dbraw/zinc/60/58/06/1275605806.db2.gz AYLVFHPDNIHPKO-SJLPKXTDSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036473923 1275720356 /nfs/dbraw/zinc/72/03/56/1275720356.db2.gz MOJCDMXRHCEZEI-WMZOPIPTSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450550 1275731957 /nfs/dbraw/zinc/73/19/57/1275731957.db2.gz NRJRWXHTRPULSS-WMZOPIPTSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086552359 1275735377 /nfs/dbraw/zinc/73/53/77/1275735377.db2.gz GKDDJKZHJIJHRX-JONQDZQNSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086552359 1275735381 /nfs/dbraw/zinc/73/53/81/1275735381.db2.gz GKDDJKZHJIJHRX-JONQDZQNSA-N 1 3 349.906 2.837 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001086558494 1275887970 /nfs/dbraw/zinc/88/79/70/1275887970.db2.gz UKRNCYZSNINJPN-ASIZZWRGSA-N 1 3 343.515 2.892 20 0 EFADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(N3CCCC[C@H]3C)n2)O1 ZINC001170278447 1278993354 /nfs/dbraw/zinc/99/33/54/1278993354.db2.gz PXJHZLXZHIPOOC-NNFUDEMPSA-N 1 3 348.491 2.597 20 0 EFADHO COc1cccc([C@H](C)N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC000788482719 1276208936 /nfs/dbraw/zinc/20/89/36/1276208936.db2.gz MODQXVBUJPOSCC-KRWDZBQOSA-N 1 3 331.504 2.716 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135975990 1276274193 /nfs/dbraw/zinc/27/41/93/1276274193.db2.gz FWPVKTPIXVEAID-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135975756 1276274330 /nfs/dbraw/zinc/27/43/30/1276274330.db2.gz BWXXBGXBLZVYGR-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135976976 1276276163 /nfs/dbraw/zinc/27/61/63/1276276163.db2.gz OXCJMEDGVNROBC-IRXDYDNUSA-N 1 3 348.535 2.920 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135995402 1276286063 /nfs/dbraw/zinc/28/60/63/1276286063.db2.gz DYESJSGQDLRFKS-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001135995402 1276286065 /nfs/dbraw/zinc/28/60/65/1276286065.db2.gz DYESJSGQDLRFKS-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]3CC2)CC1 ZINC000946831001 1276331296 /nfs/dbraw/zinc/33/12/96/1276331296.db2.gz BTTSZBFNUUZGMV-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]3CC2)CC1 ZINC000946831001 1276331302 /nfs/dbraw/zinc/33/13/02/1276331302.db2.gz BTTSZBFNUUZGMV-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831140 1276333361 /nfs/dbraw/zinc/33/33/61/1276333361.db2.gz JWTXEJVSUVTLMP-KDURUIRLSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831140 1276333363 /nfs/dbraw/zinc/33/33/63/1276333363.db2.gz JWTXEJVSUVTLMP-KDURUIRLSA-N 1 3 335.536 2.545 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001136031201 1276339504 /nfs/dbraw/zinc/33/95/04/1276339504.db2.gz HFVFHRQSADDWQY-ZIAGYGMSSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001136031444 1276340231 /nfs/dbraw/zinc/34/02/31/1276340231.db2.gz LIKQZDIAXWDMSI-UONOGXRCSA-N 1 3 348.516 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001136032051 1276340923 /nfs/dbraw/zinc/34/09/23/1276340923.db2.gz VGOFFGCTSVQRPH-GJZGRUSLSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001136032269 1276341388 /nfs/dbraw/zinc/34/13/88/1276341388.db2.gz YEDLDUOZNUSBEU-ZIAGYGMSSA-N 1 3 346.450 2.781 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112963946 1276348449 /nfs/dbraw/zinc/34/84/49/1276348449.db2.gz GEDOENHFXLHTIU-MOPGFXCFSA-N 1 3 337.552 2.791 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963946 1276348451 /nfs/dbraw/zinc/34/84/51/1276348451.db2.gz GEDOENHFXLHTIU-MOPGFXCFSA-N 1 3 337.552 2.791 20 0 EFADHO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccc(N2CCCC2=O)cc1 ZINC000817897254 1276365125 /nfs/dbraw/zinc/36/51/25/1276365125.db2.gz IMWQLOZSOZQRRM-CQSZACIVSA-N 1 3 338.455 2.826 20 0 EFADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817900328 1276365969 /nfs/dbraw/zinc/36/59/69/1276365969.db2.gz ODXHVWAUXNYYBM-NSHGMRRFSA-N 1 3 342.414 2.705 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901692 1276366813 /nfs/dbraw/zinc/36/68/13/1276366813.db2.gz WYAJVBKABWLLFR-KFWWJZLASA-N 1 3 332.366 2.868 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947973 1276394189 /nfs/dbraw/zinc/39/41/89/1276394189.db2.gz HOBWSJNVWDVFHU-OAHLLOKOSA-N 1 3 342.439 2.590 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H](NC[C@H]2CCCC[NH2+]2)CC1 ZINC000817949053 1276396611 /nfs/dbraw/zinc/39/66/11/1276396611.db2.gz GUDFBCKOLLANRI-IAGOWNOFSA-N 1 3 331.460 2.772 20 0 EFADHO C[C@H]([NH2+][C@H](CN)C1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817959158 1276399664 /nfs/dbraw/zinc/39/96/64/1276399664.db2.gz PULCRPPQZHMJCZ-IOMROCGXSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817959161 1276400140 /nfs/dbraw/zinc/40/01/40/1276400140.db2.gz PULCRPPQZHMJCZ-YYWHXJBOSA-N 1 3 345.531 2.773 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931400 1276405699 /nfs/dbraw/zinc/40/56/99/1276405699.db2.gz SAKOQUQGPULONX-KFWWJZLASA-N 1 3 327.266 2.732 20 0 EFADHO CCOc1cccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972945 1276414545 /nfs/dbraw/zinc/41/45/45/1276414545.db2.gz QIDXBGDVSAXCRS-BBRMVZONSA-N 1 3 345.409 2.572 20 0 EFADHO C[C@@H](NCCC1=CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817986523 1276425547 /nfs/dbraw/zinc/42/55/47/1276425547.db2.gz QXUOEOZSXIFQJZ-SNVBAGLBSA-N 1 3 328.229 2.944 20 0 EFADHO C[C@H](NCCC1=CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817986522 1276425849 /nfs/dbraw/zinc/42/58/49/1276425849.db2.gz QXUOEOZSXIFQJZ-JTQLQIEISA-N 1 3 328.229 2.944 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001170097864 1276507067 /nfs/dbraw/zinc/50/70/67/1276507067.db2.gz GAUPTAJDQREBNI-BHIYHBOVSA-N 1 3 343.515 2.580 20 0 EFADHO O[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000819059506 1276587211 /nfs/dbraw/zinc/58/72/11/1276587211.db2.gz CWALGOGEEIKWCQ-CRAIPNDOSA-N 1 3 338.879 2.606 20 0 EFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000819059508 1276587411 /nfs/dbraw/zinc/58/74/11/1276587411.db2.gz CWALGOGEEIKWCQ-QAPCUYQASA-N 1 3 338.879 2.606 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000819135284 1276623719 /nfs/dbraw/zinc/62/37/19/1276623719.db2.gz VTQJNNWXECAIFU-AEFFLSMTSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000819135284 1276623724 /nfs/dbraw/zinc/62/37/24/1276623724.db2.gz VTQJNNWXECAIFU-AEFFLSMTSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000819135285 1276624807 /nfs/dbraw/zinc/62/48/07/1276624807.db2.gz VTQJNNWXECAIFU-FUHWJXTLSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000819135285 1276624823 /nfs/dbraw/zinc/62/48/23/1276624823.db2.gz VTQJNNWXECAIFU-FUHWJXTLSA-N 1 3 332.492 2.544 20 0 EFADHO C[C@@H](CC[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158173 1276660539 /nfs/dbraw/zinc/66/05/39/1276660539.db2.gz ZCOHSHSDKYIWAN-PXNSSMCTSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H](CC[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158173 1276660547 /nfs/dbraw/zinc/66/05/47/1276660547.db2.gz ZCOHSHSDKYIWAN-PXNSSMCTSA-N 1 3 337.552 2.935 20 0 EFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711339762 1276673836 /nfs/dbraw/zinc/67/38/36/1276673836.db2.gz NHBILEHZZICVQV-ZVDOUQERSA-N 1 3 341.499 2.690 20 0 EFADHO CN(C(=O)C1CC[NH+](C)CC1)C1CCN(Cc2ccsc2)CC1 ZINC001005933203 1276956039 /nfs/dbraw/zinc/95/60/39/1276956039.db2.gz FXYMPACNAJDFKY-UHFFFAOYSA-N 1 3 335.517 2.513 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCCC1 ZINC001113160455 1277133973 /nfs/dbraw/zinc/13/39/73/1277133973.db2.gz CWRIAQJWSLSRKJ-QRVBRYPASA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000790123232 1277290728 /nfs/dbraw/zinc/29/07/28/1277290728.db2.gz XQSQKGIDVLLEAQ-UHFFFAOYSA-N 1 3 346.519 2.980 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001005996675 1277373638 /nfs/dbraw/zinc/37/36/38/1277373638.db2.gz LPJHGHNAQDQIAI-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[C@H]1[NH3+] ZINC000923289771 1277505088 /nfs/dbraw/zinc/50/50/88/1277505088.db2.gz LPHXRVACMKARJK-GPMSIDNRSA-N 1 3 337.467 2.825 20 0 EFADHO C[NH+](C)CCC(=O)N1CCN(CC2CCC(C(C)(C)C)CC2)CC1 ZINC001113301398 1277517072 /nfs/dbraw/zinc/51/70/72/1277517072.db2.gz PHZLBBPDMGGJLK-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296224 1277525004 /nfs/dbraw/zinc/52/50/04/1277525004.db2.gz PRCFKSAZLIJQST-FXAWDEMLSA-N 1 3 336.520 2.995 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923295921 1277525118 /nfs/dbraw/zinc/52/51/18/1277525118.db2.gz KIZFNMRNNDROSC-DOMZBBRYSA-N 1 3 335.275 2.696 20 0 EFADHO CC(C)(CN[C@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000790749442 1277757871 /nfs/dbraw/zinc/75/78/71/1277757871.db2.gz DXOYAHYYMCGCGZ-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)NC/C(Cl)=C/Cl ZINC001134857982 1287298708 /nfs/dbraw/zinc/29/87/08/1287298708.db2.gz MDTYSDZGGRLWEF-IJEMZBSNSA-N 1 3 348.318 2.807 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001113486856 1277951692 /nfs/dbraw/zinc/95/16/92/1277951692.db2.gz GPNYQVNBCYSPHR-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)COCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175115848 1287315571 /nfs/dbraw/zinc/31/55/71/1287315571.db2.gz ZIDOMGMIOXJYRD-QZTJIDSGSA-N 1 3 343.556 2.510 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113522177 1277993538 /nfs/dbraw/zinc/99/35/38/1277993538.db2.gz ZJRXHAITTMNUFP-GOSISDBHSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)N1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086597664 1278047276 /nfs/dbraw/zinc/04/72/76/1278047276.db2.gz SAQDNOHKPBQUOX-RBUKOAKNSA-N 1 3 341.499 2.607 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001091026352 1279351493 /nfs/dbraw/zinc/35/14/93/1279351493.db2.gz NAMCSSCWNZJGQR-SOAGJPPSSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001091026108 1279351653 /nfs/dbraw/zinc/35/16/53/1279351653.db2.gz IGXQKDCVOFOWIJ-KVZIAJEVSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001091026529 1279352241 /nfs/dbraw/zinc/35/22/41/1279352241.db2.gz PDJURDASYGAERR-VMWRSERWSA-N 1 3 349.544 2.914 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091026949 1279353358 /nfs/dbraw/zinc/35/33/58/1279353358.db2.gz UGOFRVVCMWZQGK-ACBHZAAOSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091027202 1279355422 /nfs/dbraw/zinc/35/54/22/1279355422.db2.gz ZUSVBKMREOWVRJ-CTWPCTMYSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110111877 1279358510 /nfs/dbraw/zinc/35/85/10/1279358510.db2.gz YVFXNFQHNPCEIL-QYZOEREBSA-N 1 3 333.520 2.940 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC001091058983 1279483938 /nfs/dbraw/zinc/48/39/38/1279483938.db2.gz ZENWYLNQSAJXQM-SOAGJPPSSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C)N(C)C ZINC001178990147 1289014694 /nfs/dbraw/zinc/01/46/94/1289014694.db2.gz JOYGYLAOKHXKKO-MELADBBJSA-N 1 3 337.430 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001114488641 1287373912 /nfs/dbraw/zinc/37/39/12/1287373912.db2.gz QNTWKUWSWBAIAS-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001114488641 1287373914 /nfs/dbraw/zinc/37/39/14/1287373914.db2.gz QNTWKUWSWBAIAS-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C)OC ZINC001175295353 1287376743 /nfs/dbraw/zinc/37/67/43/1287376743.db2.gz FMQRCLOVRUIFSV-IRXDYDNUSA-N 1 3 343.556 2.654 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@H]21 ZINC001114488458 1287372032 /nfs/dbraw/zinc/37/20/32/1287372032.db2.gz NRTVBLITBHBAFW-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]21 ZINC001114488458 1287372040 /nfs/dbraw/zinc/37/20/40/1287372040.db2.gz NRTVBLITBHBAFW-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262260 1287383782 /nfs/dbraw/zinc/38/37/82/1287383782.db2.gz FCDJKCYPWSEXPN-KXBFYZLASA-N 1 3 341.515 2.874 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CCC[C@@H]1C ZINC001175255857 1287380707 /nfs/dbraw/zinc/38/07/07/1287380707.db2.gz HYDCRAMJMBTDAK-ROUUACIJSA-N 1 3 331.504 2.936 20 0 EFADHO COCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256207 1287380860 /nfs/dbraw/zinc/38/08/60/1287380860.db2.gz IWAIFFKZKQZEKR-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC[C@H]1C ZINC001175256721 1287381336 /nfs/dbraw/zinc/38/13/36/1287381336.db2.gz NBQVDOWQUYOBMZ-HUUCEWRRSA-N 1 3 345.478 2.781 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265055 1287384996 /nfs/dbraw/zinc/38/49/96/1287384996.db2.gz XDAAXABLPMSWIL-SJORKVTESA-N 1 3 349.494 2.932 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001175264365 1287385185 /nfs/dbraw/zinc/38/51/85/1287385185.db2.gz UCXMMWVPSURHAO-IRXDYDNUSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccn1)NC(=O)CN1CCC(C)(C)C1 ZINC001175272648 1287387047 /nfs/dbraw/zinc/38/70/47/1287387047.db2.gz KSRDQZYLNHMSFB-QGZVFWFLSA-N 1 3 346.519 2.578 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001175306690 1287395092 /nfs/dbraw/zinc/39/50/92/1287395092.db2.gz UXCPLHPNVODBGY-HKUYNNGSSA-N 1 3 349.519 2.670 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114263827 1280068591 /nfs/dbraw/zinc/06/85/91/1280068591.db2.gz ZPMGRMDXASUJJL-XWTMOSNGSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114263827 1280068602 /nfs/dbraw/zinc/06/86/02/1280068602.db2.gz ZPMGRMDXASUJJL-XWTMOSNGSA-N 1 3 335.536 2.732 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001175307849 1287396106 /nfs/dbraw/zinc/39/61/06/1287396106.db2.gz YTAGZBIWHFYSET-MSOLQXFVSA-N 1 3 343.556 2.654 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114288273 1280130180 /nfs/dbraw/zinc/13/01/80/1280130180.db2.gz VSENDFZCIGJSLN-YRXWBPOGSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114288273 1280130184 /nfs/dbraw/zinc/13/01/84/1280130184.db2.gz VSENDFZCIGJSLN-YRXWBPOGSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1F ZINC001129416430 1280181739 /nfs/dbraw/zinc/18/17/39/1280181739.db2.gz HQVCGWAWPFHNQH-DNVCBOLYSA-N 1 3 347.478 3.000 20 0 EFADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1F ZINC001129416430 1280181745 /nfs/dbraw/zinc/18/17/45/1280181745.db2.gz HQVCGWAWPFHNQH-DNVCBOLYSA-N 1 3 347.478 3.000 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc2ccccc21 ZINC001129454270 1280195613 /nfs/dbraw/zinc/19/56/13/1280195613.db2.gz IYHYFEZQBSKCMF-FOIQADDNSA-N 1 3 339.483 2.947 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC001129443118 1280202051 /nfs/dbraw/zinc/20/20/51/1280202051.db2.gz IHGNGBKSQOEANY-HXUWFJFHSA-N 1 3 343.515 2.890 20 0 EFADHO COC(=O)c1c[n-]c2nc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)[nH+]cc12 ZINC001170452552 1280231858 /nfs/dbraw/zinc/23/18/58/1280231858.db2.gz CAZPSWGTAGUEMO-UHFFFAOYSA-N 1 3 345.447 2.759 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CCC1 ZINC001129531975 1280234305 /nfs/dbraw/zinc/23/43/05/1280234305.db2.gz OMNJWILNRZOCAM-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21)C1CCC1 ZINC001129532118 1280234336 /nfs/dbraw/zinc/23/43/36/1280234336.db2.gz RKXWARPKTLGCRT-KRWDZBQOSA-N 1 3 335.879 2.517 20 0 EFADHO CC(C)[N@H+](CCCN)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171237032 1280299328 /nfs/dbraw/zinc/29/93/28/1280299328.db2.gz QOMHXECWJGZFFB-DFNIBXOVSA-N 1 3 329.488 2.881 20 0 EFADHO CC(C)[N@@H+](CCCN)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171237032 1280299336 /nfs/dbraw/zinc/29/93/36/1280299336.db2.gz QOMHXECWJGZFFB-DFNIBXOVSA-N 1 3 329.488 2.881 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001129856077 1280354332 /nfs/dbraw/zinc/35/43/32/1280354332.db2.gz NFMOFMSHJNUGSE-AWEZNQCLSA-N 1 3 341.858 2.559 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001129856077 1280354338 /nfs/dbraw/zinc/35/43/38/1280354338.db2.gz NFMOFMSHJNUGSE-AWEZNQCLSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001129950704 1280378670 /nfs/dbraw/zinc/37/86/70/1280378670.db2.gz XBDXWMVHGLVYRL-BEFAXECRSA-N 1 3 331.504 2.528 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246932 1280432935 /nfs/dbraw/zinc/43/29/35/1280432935.db2.gz IMSHSJFJJFLSDX-WBVHZDCISA-N 1 3 329.504 2.731 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091378874 1280458321 /nfs/dbraw/zinc/45/83/21/1280458321.db2.gz YFCWQKQNHIPIOL-OFLPRAFFSA-N 1 3 335.517 2.607 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]CCc1cccc(Cl)c1Cl)N(C)C ZINC001130203445 1280572079 /nfs/dbraw/zinc/57/20/79/1280572079.db2.gz MFVXOEKXELHYHA-CQSZACIVSA-N 1 3 346.302 2.582 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC2(Br)CC2)[C@H](C)C1 ZINC000846857400 1280579767 /nfs/dbraw/zinc/57/97/67/1280579767.db2.gz IWLURUVUUMJKEI-KGLIPLIRSA-N 1 3 333.314 2.641 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC2(Br)CC2)[C@H](C)C1 ZINC000846857400 1280579771 /nfs/dbraw/zinc/57/97/71/1280579771.db2.gz IWLURUVUUMJKEI-KGLIPLIRSA-N 1 3 333.314 2.641 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)cc1)N(C)C ZINC001130200805 1280585044 /nfs/dbraw/zinc/58/50/44/1280585044.db2.gz OBAGEJLVHAZJFN-HXUWFJFHSA-N 1 3 339.483 2.900 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171260451 1280674765 /nfs/dbraw/zinc/67/47/65/1280674765.db2.gz IJCNFSODVVVQIT-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001176284205 1287923675 /nfs/dbraw/zinc/92/36/75/1287923675.db2.gz DDHAXEYRPHVUTO-ZDUSSCGKSA-N 1 3 325.419 2.545 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001130425304 1280857558 /nfs/dbraw/zinc/85/75/58/1280857558.db2.gz SOBJVVFVRMJRHQ-KRWDZBQOSA-N 1 3 335.467 2.639 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC/C=C/c1cccc(OC)c1 ZINC001130427921 1280862826 /nfs/dbraw/zinc/86/28/26/1280862826.db2.gz VBUKAILVSPTZIQ-JXMROGBWSA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCNCc2ccc(Cl)s2)CC1 ZINC001146355692 1280912856 /nfs/dbraw/zinc/91/28/56/1280912856.db2.gz BHWLQZXTKYMBEH-UHFFFAOYSA-N 1 3 343.924 2.728 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)c1cccc(CN(C)C)c1 ZINC001146584244 1280939906 /nfs/dbraw/zinc/93/99/06/1280939906.db2.gz RUBYCYRKMDJCDT-AJNJCKRNSA-N 1 3 337.895 2.987 20 0 EFADHO CC(C)OCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583932 1280940054 /nfs/dbraw/zinc/94/00/54/1280940054.db2.gz PZZFBLBOZOWEKO-DLBZAZTESA-N 1 3 349.519 2.660 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)c1cccc(CN(C)C)c1)[NH2+]C/C=C/Cl ZINC001146584246 1280940609 /nfs/dbraw/zinc/94/06/09/1280940609.db2.gz RUBYCYRKMDJCDT-SIEMXDPISA-N 1 3 337.895 2.987 20 0 EFADHO COCc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001146590831 1280945879 /nfs/dbraw/zinc/94/58/79/1280945879.db2.gz BUYHXSDBIOYOHH-DLBZAZTESA-N 1 3 349.519 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001146600051 1280946771 /nfs/dbraw/zinc/94/67/71/1280946771.db2.gz FBUAUZIEPSLPTN-MSOLQXFVSA-N 1 3 333.520 2.832 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595416 1280948145 /nfs/dbraw/zinc/94/81/45/1280948145.db2.gz ZAJNPMBTAGDWMZ-DLBZAZTESA-N 1 3 333.520 2.962 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001146600901 1280950185 /nfs/dbraw/zinc/95/01/85/1280950185.db2.gz JGIKMCPBKABGNO-HOTGVXAUSA-N 1 3 337.483 2.847 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001146600900 1280950289 /nfs/dbraw/zinc/95/02/89/1280950289.db2.gz JGIKMCPBKABGNO-CVEARBPZSA-N 1 3 337.483 2.847 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723514 1281245918 /nfs/dbraw/zinc/24/59/18/1281245918.db2.gz BQMDNSFEFLGSRU-DKFQHHCZSA-N 1 3 333.520 2.607 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723514 1281245923 /nfs/dbraw/zinc/24/59/23/1281245923.db2.gz BQMDNSFEFLGSRU-DKFQHHCZSA-N 1 3 333.520 2.607 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147724898 1281248450 /nfs/dbraw/zinc/24/84/50/1281248450.db2.gz MVHRKWIIUGJCRE-AATRIKPKSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147724898 1281248456 /nfs/dbraw/zinc/24/84/56/1281248456.db2.gz MVHRKWIIUGJCRE-AATRIKPKSA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)C1CC1 ZINC001147724989 1281248779 /nfs/dbraw/zinc/24/87/79/1281248779.db2.gz PLAJUUFKFVDVDY-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)C1CC1 ZINC001147724989 1281248785 /nfs/dbraw/zinc/24/87/85/1281248785.db2.gz PLAJUUFKFVDVDY-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1C)C2 ZINC001147812210 1281275341 /nfs/dbraw/zinc/27/53/41/1281275341.db2.gz SRHFXOFIAKXKRL-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1C)C2 ZINC001147812210 1281275349 /nfs/dbraw/zinc/27/53/49/1281275349.db2.gz SRHFXOFIAKXKRL-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001147826229 1281304799 /nfs/dbraw/zinc/30/47/99/1281304799.db2.gz SQEVZLUPOWKJJG-DLBZAZTESA-N 1 3 343.471 2.759 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)C2 ZINC001147836457 1281312468 /nfs/dbraw/zinc/31/24/68/1281312468.db2.gz WUDZVPSWMFDHNU-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1)C2 ZINC001147836457 1281312477 /nfs/dbraw/zinc/31/24/77/1281312477.db2.gz WUDZVPSWMFDHNU-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001175571943 1287488252 /nfs/dbraw/zinc/48/82/52/1287488252.db2.gz GULCILAETVHZLS-IAGOWNOFSA-N 1 3 329.504 2.874 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667219 1281319883 /nfs/dbraw/zinc/31/98/83/1281319883.db2.gz PBCUKSYJYYCHHN-HBFSDRIKSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667219 1281319890 /nfs/dbraw/zinc/31/98/90/1281319890.db2.gz PBCUKSYJYYCHHN-HBFSDRIKSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900213 1281351789 /nfs/dbraw/zinc/35/17/89/1281351789.db2.gz JZUBMCDJYVXSJO-OLZOCXBDSA-N 1 3 341.858 2.588 20 0 EFADHO C[C@@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900213 1281351803 /nfs/dbraw/zinc/35/18/03/1281351803.db2.gz JZUBMCDJYVXSJO-OLZOCXBDSA-N 1 3 341.858 2.588 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672065 1281394035 /nfs/dbraw/zinc/39/40/35/1281394035.db2.gz FDOLRBHQSGCWOM-NQIIRXRSSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672065 1281394044 /nfs/dbraw/zinc/39/40/44/1281394044.db2.gz FDOLRBHQSGCWOM-NQIIRXRSSA-N 1 3 347.547 2.997 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226856 1281463203 /nfs/dbraw/zinc/46/32/03/1281463203.db2.gz VLESNBUOZCBSGT-CNZFZVQHSA-N 1 3 335.536 2.853 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226856 1281463211 /nfs/dbraw/zinc/46/32/11/1281463211.db2.gz VLESNBUOZCBSGT-CNZFZVQHSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285385 1281495043 /nfs/dbraw/zinc/49/50/43/1281495043.db2.gz QPELYPPAVLSKHL-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285385 1281495047 /nfs/dbraw/zinc/49/50/47/1281495047.db2.gz QPELYPPAVLSKHL-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315100 1281513161 /nfs/dbraw/zinc/51/31/61/1281513161.db2.gz BOIJSGIEGIRZPJ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315100 1281513171 /nfs/dbraw/zinc/51/31/71/1281513171.db2.gz BOIJSGIEGIRZPJ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091716221 1281534079 /nfs/dbraw/zinc/53/40/79/1281534079.db2.gz OLSUPGYNPHQJGO-SBHAEUEKSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091716221 1281534089 /nfs/dbraw/zinc/53/40/89/1281534089.db2.gz OLSUPGYNPHQJGO-SBHAEUEKSA-N 1 3 347.547 2.831 20 0 EFADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148384455 1281541173 /nfs/dbraw/zinc/54/11/73/1281541173.db2.gz FAARBDWSYJYDGZ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001148384455 1281541186 /nfs/dbraw/zinc/54/11/86/1281541186.db2.gz FAARBDWSYJYDGZ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148458723 1281560033 /nfs/dbraw/zinc/56/00/33/1281560033.db2.gz VFEDVJDTFBHNDE-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148458723 1281560038 /nfs/dbraw/zinc/56/00/38/1281560038.db2.gz VFEDVJDTFBHNDE-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)ccc1C)C2 ZINC001148462932 1281562750 /nfs/dbraw/zinc/56/27/50/1281562750.db2.gz SMXHTMHFJFYZLU-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC001148462932 1281562756 /nfs/dbraw/zinc/56/27/56/1281562756.db2.gz SMXHTMHFJFYZLU-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001148469394 1281564098 /nfs/dbraw/zinc/56/40/98/1281564098.db2.gz IHWSUBJXZGLZHN-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001148469394 1281564110 /nfs/dbraw/zinc/56/41/10/1281564110.db2.gz IHWSUBJXZGLZHN-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccccc1F)C2 ZINC001148551507 1281625780 /nfs/dbraw/zinc/62/57/80/1281625780.db2.gz MJMAMHWHFXBVOY-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccccc1F)C2 ZINC001148551507 1281625794 /nfs/dbraw/zinc/62/57/94/1281625794.db2.gz MJMAMHWHFXBVOY-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1ccc(F)cc1)C2 ZINC001148551732 1281628873 /nfs/dbraw/zinc/62/88/73/1281628873.db2.gz SVKOADAQHDRGIO-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1ccc(F)cc1)C2 ZINC001148551732 1281628880 /nfs/dbraw/zinc/62/88/80/1281628880.db2.gz SVKOADAQHDRGIO-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCNCc1ccccc1C(F)(F)F ZINC001148573187 1281656192 /nfs/dbraw/zinc/65/61/92/1281656192.db2.gz QKKUODHLCPYGMV-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccccc1C(F)(F)F ZINC001148573187 1281656196 /nfs/dbraw/zinc/65/61/96/1281656196.db2.gz QKKUODHLCPYGMV-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001148578478 1281658686 /nfs/dbraw/zinc/65/86/86/1281658686.db2.gz UXUNBXGTSLKFSP-UHFFFAOYSA-N 1 3 349.519 2.756 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cc(C(C)C)ccc1OC ZINC001148578478 1281658696 /nfs/dbraw/zinc/65/86/96/1281658696.db2.gz UXUNBXGTSLKFSP-UHFFFAOYSA-N 1 3 349.519 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(CF)cc1)C2 ZINC001148647130 1281672099 /nfs/dbraw/zinc/67/20/99/1281672099.db2.gz NOSOMHLIPXTXAP-UHFFFAOYSA-N 1 3 347.478 2.532 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001148647130 1281672108 /nfs/dbraw/zinc/67/21/08/1281672108.db2.gz NOSOMHLIPXTXAP-UHFFFAOYSA-N 1 3 347.478 2.532 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738437 1281688407 /nfs/dbraw/zinc/68/84/07/1281688407.db2.gz XWMQYMNVKPPFKV-HBFSDRIKSA-N 1 3 335.536 2.543 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738437 1281688414 /nfs/dbraw/zinc/68/84/14/1281688414.db2.gz XWMQYMNVKPPFKV-HBFSDRIKSA-N 1 3 335.536 2.543 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001148638685 1281704104 /nfs/dbraw/zinc/70/41/04/1281704104.db2.gz NDRJYDCWENYBMT-UHFFFAOYSA-N 1 3 327.472 2.696 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091743260 1281727126 /nfs/dbraw/zinc/72/71/26/1281727126.db2.gz OPRVJCXABXPPML-NQIIRXRSSA-N 1 3 345.531 2.751 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091743260 1281727131 /nfs/dbraw/zinc/72/71/31/1281727131.db2.gz OPRVJCXABXPPML-NQIIRXRSSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001148838949 1281779208 /nfs/dbraw/zinc/77/92/08/1281779208.db2.gz JKTCIUAQEHYYOY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001148838949 1281779215 /nfs/dbraw/zinc/77/92/15/1281779215.db2.gz JKTCIUAQEHYYOY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)cc1 ZINC001148843946 1281781932 /nfs/dbraw/zinc/78/19/32/1281781932.db2.gz KQCXFHBTZKFCKV-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)cc1 ZINC001148843946 1281781939 /nfs/dbraw/zinc/78/19/39/1281781939.db2.gz KQCXFHBTZKFCKV-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808764233 1281885525 /nfs/dbraw/zinc/88/55/25/1281885525.db2.gz WEYAVLZRMWFJKE-WMZOPIPTSA-N 1 3 341.455 2.981 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086908308 1281909767 /nfs/dbraw/zinc/90/97/67/1281909767.db2.gz WNXDUVVISHAJEQ-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CC1CCC1)CC2 ZINC001086908383 1281910177 /nfs/dbraw/zinc/91/01/77/1281910177.db2.gz ZKVLJKNHOBMXJO-AEFFLSMTSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562006 1281915499 /nfs/dbraw/zinc/91/54/99/1281915499.db2.gz WAIVIBXSHLHGGZ-SBHAEUEKSA-N 1 3 342.483 2.926 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562006 1281915505 /nfs/dbraw/zinc/91/55/05/1281915505.db2.gz WAIVIBXSHLHGGZ-SBHAEUEKSA-N 1 3 342.483 2.926 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CC1CCC1)CC2 ZINC001086926822 1281948445 /nfs/dbraw/zinc/94/84/45/1281948445.db2.gz LFYVKLHWPLYGCG-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942174 1281971414 /nfs/dbraw/zinc/97/14/14/1281971414.db2.gz KRHVYIHHOPCGGB-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942254 1281972230 /nfs/dbraw/zinc/97/22/30/1281972230.db2.gz MMYKOWXGWYHHGT-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945934 1281981845 /nfs/dbraw/zinc/98/18/45/1281981845.db2.gz LYJCVFGRZKZQKE-MRXNPFEDSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946158 1281982814 /nfs/dbraw/zinc/98/28/14/1281982814.db2.gz RQQNBSCRVSIJLI-MRXNPFEDSA-N 1 3 332.492 2.701 20 0 EFADHO C[C@@H](Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)[C@H]1CNCCO1 ZINC001170571002 1282041712 /nfs/dbraw/zinc/04/17/12/1282041712.db2.gz XJRFLCGRNSTANO-FOIQADDNSA-N 1 3 342.487 2.595 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001175766718 1287546940 /nfs/dbraw/zinc/54/69/40/1287546940.db2.gz AARXSIQJJHDETK-PCRWRXJSSA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780312 1282147550 /nfs/dbraw/zinc/14/75/50/1282147550.db2.gz FQGUEUHXWGDKOJ-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001091780312 1282147557 /nfs/dbraw/zinc/14/75/57/1282147557.db2.gz FQGUEUHXWGDKOJ-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001092011165 1282335575 /nfs/dbraw/zinc/33/55/75/1282335575.db2.gz RGHRUCWBCIGFRA-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001092011165 1282335586 /nfs/dbraw/zinc/33/55/86/1282335586.db2.gz RGHRUCWBCIGFRA-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CC1CCCCCC1)C2 ZINC001092052652 1282350799 /nfs/dbraw/zinc/35/07/99/1282350799.db2.gz NFCMWPMWZGMAHD-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CC1CCCCCC1)C2 ZINC001092052652 1282350804 /nfs/dbraw/zinc/35/08/04/1282350804.db2.gz NFCMWPMWZGMAHD-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1ncc(C2OCCO2)s1 ZINC000809632506 1282351155 /nfs/dbraw/zinc/35/11/55/1282351155.db2.gz RMVBJPIGJZYZKF-CYBMUJFWSA-N 1 3 327.494 2.789 20 0 EFADHO CC(C)(C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000809652241 1282368064 /nfs/dbraw/zinc/36/80/64/1282368064.db2.gz HCLOMEGCYXFVLX-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300028 1282547891 /nfs/dbraw/zinc/54/78/91/1282547891.db2.gz POFCGMUFAGGQJF-NQIIRXRSSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300028 1282547899 /nfs/dbraw/zinc/54/78/99/1282547899.db2.gz POFCGMUFAGGQJF-NQIIRXRSSA-N 1 3 343.515 2.798 20 0 EFADHO O[C@H](CNc1cc[nH+]cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170596448 1282811473 /nfs/dbraw/zinc/81/14/73/1282811473.db2.gz VUBRNJVLQJUWLY-JOCHJYFZSA-N 1 3 347.462 2.979 20 0 EFADHO CN1CCN(C2CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)CC1 ZINC001171380959 1282830280 /nfs/dbraw/zinc/83/02/80/1282830280.db2.gz PXUZITQXUGINSX-GOSISDBHSA-N 1 3 349.469 2.534 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093278 1287607433 /nfs/dbraw/zinc/60/74/33/1287607433.db2.gz KNEFTCMXVBVEPD-SJLPKXTDSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093278 1287607444 /nfs/dbraw/zinc/60/74/44/1287607444.db2.gz KNEFTCMXVBVEPD-SJLPKXTDSA-N 1 3 341.455 2.656 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc(Br)nc1 ZINC000810238372 1283091122 /nfs/dbraw/zinc/09/11/22/1283091122.db2.gz ZJRUJYHCNTXADH-ZDUSSCGKSA-N 1 3 344.297 2.853 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCCCF ZINC001132214204 1283143341 /nfs/dbraw/zinc/14/33/41/1283143341.db2.gz CZTJSAHTYKTGGD-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCCCF ZINC001132214204 1283143347 /nfs/dbraw/zinc/14/33/47/1283143347.db2.gz CZTJSAHTYKTGGD-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001093025114 1283166549 /nfs/dbraw/zinc/16/65/49/1283166549.db2.gz QURMYHYXWYAGOY-NZCOHXHHSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001093025114 1283166554 /nfs/dbraw/zinc/16/65/54/1283166554.db2.gz QURMYHYXWYAGOY-NZCOHXHHSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001093025114 1283166558 /nfs/dbraw/zinc/16/65/58/1283166558.db2.gz QURMYHYXWYAGOY-NZCOHXHHSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001093025114 1283166565 /nfs/dbraw/zinc/16/65/65/1283166565.db2.gz QURMYHYXWYAGOY-NZCOHXHHSA-N 1 3 341.927 2.686 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@H]2C)cc1 ZINC001132266281 1283220142 /nfs/dbraw/zinc/22/01/42/1283220142.db2.gz WGNARCQHOOSFAD-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717404 1283221981 /nfs/dbraw/zinc/22/19/81/1283221981.db2.gz VGDWSPRAHZDEIZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717404 1283221985 /nfs/dbraw/zinc/22/19/85/1283221985.db2.gz VGDWSPRAHZDEIZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810435278 1283227831 /nfs/dbraw/zinc/22/78/31/1283227831.db2.gz VFWLWWNBIXWGFT-LJQANCHMSA-N 1 3 341.515 2.779 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132274560 1283244377 /nfs/dbraw/zinc/24/43/77/1283244377.db2.gz WODDNEBDYIILJO-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132277840 1283249379 /nfs/dbraw/zinc/24/93/79/1283249379.db2.gz JTWGIWWQORJWPW-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735290 1283309273 /nfs/dbraw/zinc/30/92/73/1283309273.db2.gz HJPJTENHHSJHGO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735290 1283309284 /nfs/dbraw/zinc/30/92/84/1283309284.db2.gz HJPJTENHHSJHGO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735950 1283312522 /nfs/dbraw/zinc/31/25/22/1283312522.db2.gz SJCMWVCPTPBGKT-SJORKVTESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735950 1283312532 /nfs/dbraw/zinc/31/25/32/1283312532.db2.gz SJCMWVCPTPBGKT-SJORKVTESA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736472 1283315479 /nfs/dbraw/zinc/31/54/79/1283315479.db2.gz AFSUQVFFOSPGKB-ICSRJNTNSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736472 1283315480 /nfs/dbraw/zinc/31/54/80/1283315480.db2.gz AFSUQVFFOSPGKB-ICSRJNTNSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736773 1283317310 /nfs/dbraw/zinc/31/73/10/1283317310.db2.gz GQCQTLRPXVDRML-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736773 1283317323 /nfs/dbraw/zinc/31/73/23/1283317323.db2.gz GQCQTLRPXVDRML-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222179 1283511083 /nfs/dbraw/zinc/51/10/83/1283511083.db2.gz IWEPMVDYKGKHRP-GPMSIDNRSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222179 1283511091 /nfs/dbraw/zinc/51/10/91/1283511091.db2.gz IWEPMVDYKGKHRP-GPMSIDNRSA-N 1 3 349.494 2.794 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@@H](C)N(CCOC)C1 ZINC001132419850 1283514369 /nfs/dbraw/zinc/51/43/69/1283514369.db2.gz JCXPUKJHCJANJJ-MSOLQXFVSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410811 1283530842 /nfs/dbraw/zinc/53/08/42/1283530842.db2.gz OMFQIYDXDDGKGC-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410811 1283530852 /nfs/dbraw/zinc/53/08/52/1283530852.db2.gz OMFQIYDXDDGKGC-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCc2ccccc2F)C1 ZINC001132411377 1283533271 /nfs/dbraw/zinc/53/32/71/1283533271.db2.gz ZABQNLWTNSQLDK-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(CCc2ccccc2F)C1 ZINC001132411377 1283533283 /nfs/dbraw/zinc/53/32/83/1283533283.db2.gz ZABQNLWTNSQLDK-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132437653 1283578017 /nfs/dbraw/zinc/57/80/17/1283578017.db2.gz WWQRLPDCXDFELD-ROUUACIJSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437653 1283578025 /nfs/dbraw/zinc/57/80/25/1283578025.db2.gz WWQRLPDCXDFELD-ROUUACIJSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132437651 1283578344 /nfs/dbraw/zinc/57/83/44/1283578344.db2.gz WWQRLPDCXDFELD-MSOLQXFVSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437651 1283578353 /nfs/dbraw/zinc/57/83/53/1283578353.db2.gz WWQRLPDCXDFELD-MSOLQXFVSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNC/C(Cl)=C/Cl ZINC001176024850 1287660211 /nfs/dbraw/zinc/66/02/11/1287660211.db2.gz SPQCAZLXLZWACR-KECPUOCWSA-N 1 3 338.323 2.912 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNC/C(Cl)=C/Cl ZINC001176024850 1287660214 /nfs/dbraw/zinc/66/02/14/1287660214.db2.gz SPQCAZLXLZWACR-KECPUOCWSA-N 1 3 338.323 2.912 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372648 1283812715 /nfs/dbraw/zinc/81/27/15/1283812715.db2.gz GZMSYSKVGPKCJI-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372648 1283812725 /nfs/dbraw/zinc/81/27/25/1283812725.db2.gz GZMSYSKVGPKCJI-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372699 1283813875 /nfs/dbraw/zinc/81/38/75/1283813875.db2.gz HSGRMTREUMFHKI-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001093372699 1283813881 /nfs/dbraw/zinc/81/38/81/1283813881.db2.gz HSGRMTREUMFHKI-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377257 1283828982 /nfs/dbraw/zinc/82/89/82/1283828982.db2.gz HSGRMTREUMFHKI-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377257 1283828992 /nfs/dbraw/zinc/82/89/92/1283828992.db2.gz HSGRMTREUMFHKI-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378984 1283833887 /nfs/dbraw/zinc/83/38/87/1283833887.db2.gz XIDNSXUYCRXDBP-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378984 1283833899 /nfs/dbraw/zinc/83/38/99/1283833899.db2.gz XIDNSXUYCRXDBP-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378982 1283835592 /nfs/dbraw/zinc/83/55/92/1283835592.db2.gz XIDNSXUYCRXDBP-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378982 1283835598 /nfs/dbraw/zinc/83/55/98/1283835598.db2.gz XIDNSXUYCRXDBP-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093379121 1283837109 /nfs/dbraw/zinc/83/71/09/1283837109.db2.gz ZPGWPKFKZORTMZ-FXAWDEMLSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093379121 1283837121 /nfs/dbraw/zinc/83/71/21/1283837121.db2.gz ZPGWPKFKZORTMZ-FXAWDEMLSA-N 1 3 347.547 2.972 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001093381030 1283845379 /nfs/dbraw/zinc/84/53/79/1283845379.db2.gz DQNVAALUZHGAOC-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001093381030 1283845390 /nfs/dbraw/zinc/84/53/90/1283845390.db2.gz DQNVAALUZHGAOC-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001093381031 1283845983 /nfs/dbraw/zinc/84/59/83/1283845983.db2.gz DQNVAALUZHGAOC-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001093381031 1283845991 /nfs/dbraw/zinc/84/59/91/1283845991.db2.gz DQNVAALUZHGAOC-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093382592 1283852066 /nfs/dbraw/zinc/85/20/66/1283852066.db2.gz AHLIONRNQHCYFX-HXUWFJFHSA-N 1 3 345.531 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093382592 1283852076 /nfs/dbraw/zinc/85/20/76/1283852076.db2.gz AHLIONRNQHCYFX-HXUWFJFHSA-N 1 3 345.531 2.585 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383835 1283856718 /nfs/dbraw/zinc/85/67/18/1283856718.db2.gz PYFBYHSEXYZALO-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383835 1283856733 /nfs/dbraw/zinc/85/67/33/1283856733.db2.gz PYFBYHSEXYZALO-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO Fc1cccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001171414609 1284058231 /nfs/dbraw/zinc/05/82/31/1284058231.db2.gz UGHNVEQWORZHDX-KZNAEPCWSA-N 1 3 332.463 2.916 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)C1 ZINC001036820662 1284058881 /nfs/dbraw/zinc/05/88/81/1284058881.db2.gz MRGWDLDUVJPECU-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)C1 ZINC001036820662 1284058891 /nfs/dbraw/zinc/05/88/91/1284058891.db2.gz MRGWDLDUVJPECU-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036821362 1284062248 /nfs/dbraw/zinc/06/22/48/1284062248.db2.gz YTVCAHHDOAVRDC-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036821362 1284062259 /nfs/dbraw/zinc/06/22/59/1284062259.db2.gz YTVCAHHDOAVRDC-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2c(Cl)oc3ccccc32)C1 ZINC001176058417 1287689392 /nfs/dbraw/zinc/68/93/92/1287689392.db2.gz XBGOICJQNHCGAX-ZDUSSCGKSA-N 1 3 349.862 2.634 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2c(Cl)oc3ccccc32)C1 ZINC001176058417 1287689400 /nfs/dbraw/zinc/68/94/00/1287689400.db2.gz XBGOICJQNHCGAX-ZDUSSCGKSA-N 1 3 349.862 2.634 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)C1 ZINC001176063675 1287691219 /nfs/dbraw/zinc/69/12/19/1287691219.db2.gz FHTDRDZOTMTFDQ-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)C1 ZINC001176063675 1287691221 /nfs/dbraw/zinc/69/12/21/1287691221.db2.gz FHTDRDZOTMTFDQ-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001036829324 1284168752 /nfs/dbraw/zinc/16/87/52/1284168752.db2.gz CMOINTIBPZRZFF-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001036829324 1284168759 /nfs/dbraw/zinc/16/87/59/1284168759.db2.gz CMOINTIBPZRZFF-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001132736837 1284205103 /nfs/dbraw/zinc/20/51/03/1284205103.db2.gz DJDLFPMINLOZTA-INIZCTEOSA-N 1 3 337.895 2.668 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001132736837 1284205112 /nfs/dbraw/zinc/20/51/12/1284205112.db2.gz DJDLFPMINLOZTA-INIZCTEOSA-N 1 3 337.895 2.668 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001132737656 1284206068 /nfs/dbraw/zinc/20/60/68/1284206068.db2.gz ONRSRWCTIZBCLR-KRWDZBQOSA-N 1 3 343.471 2.761 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001132737656 1284206076 /nfs/dbraw/zinc/20/60/76/1284206076.db2.gz ONRSRWCTIZBCLR-KRWDZBQOSA-N 1 3 343.471 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001093673260 1284402321 /nfs/dbraw/zinc/40/23/21/1284402321.db2.gz NSAMQFXYPHTZTH-KYJSFNMBSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001093673261 1284402525 /nfs/dbraw/zinc/40/25/25/1284402525.db2.gz NSAMQFXYPHTZTH-QGPMSJSTSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132892349 1284426939 /nfs/dbraw/zinc/42/69/39/1284426939.db2.gz DSCSQGZQPPSHTB-SJORKVTESA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132893859 1284430006 /nfs/dbraw/zinc/43/00/06/1284430006.db2.gz SUWNFFJLFNPVNE-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001093824080 1284544411 /nfs/dbraw/zinc/54/44/11/1284544411.db2.gz GDMKUADFUBTATB-ATZDWAIDSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1 ZINC001093826046 1284545653 /nfs/dbraw/zinc/54/56/53/1284545653.db2.gz ZMFUDXZUMOEHQF-ZIFCJYIRSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1)N(C)C ZINC001093839269 1284555851 /nfs/dbraw/zinc/55/58/51/1284555851.db2.gz HMIJGSGADUNOQA-SUMDDJOVSA-N 1 3 349.494 2.596 20 0 EFADHO C[C@@H](CCCCNC/C(Cl)=C/Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185323 1287731366 /nfs/dbraw/zinc/73/13/66/1287731366.db2.gz WZZPDOJZKZEXIK-ODUNQGDFSA-N 1 3 348.318 2.666 20 0 EFADHO C[C@@H](CCCCNC/C(Cl)=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185322 1287731651 /nfs/dbraw/zinc/73/16/51/1287731651.db2.gz WZZPDOJZKZEXIK-LFGHMXSPSA-N 1 3 348.318 2.666 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185325 1287732216 /nfs/dbraw/zinc/73/22/16/1287732216.db2.gz WZZPDOJZKZEXIK-PCRWRXJSSA-N 1 3 348.318 2.666 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1)N(C)C ZINC001094020890 1284714547 /nfs/dbraw/zinc/71/45/47/1284714547.db2.gz KCLIFMASCWIAOZ-SZVBFZGTSA-N 1 3 349.494 2.596 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001094040751 1284728315 /nfs/dbraw/zinc/72/83/15/1284728315.db2.gz OBMJNJXPPNEGFL-ZHALLVOQSA-N 1 3 333.520 2.655 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1)N(C)C ZINC001094049102 1284732685 /nfs/dbraw/zinc/73/26/85/1284732685.db2.gz GQTRUQGNBMFDPF-QRQLOZEOSA-N 1 3 331.504 2.519 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001133120886 1284829575 /nfs/dbraw/zinc/82/95/75/1284829575.db2.gz CBRZWFWXSXMYMF-ATEGUMQPSA-N 1 3 341.927 2.545 20 0 EFADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133122159 1284831062 /nfs/dbraw/zinc/83/10/62/1284831062.db2.gz OCYAJJCDNLSEBE-SJORKVTESA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133121660 1284831573 /nfs/dbraw/zinc/83/15/73/1284831573.db2.gz JZITXRWYDUXXJH-IAGOWNOFSA-N 1 3 325.541 2.695 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133122436 1284833494 /nfs/dbraw/zinc/83/34/94/1284833494.db2.gz QRWATOHUJMVUOJ-MSOLQXFVSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001133135335 1284849029 /nfs/dbraw/zinc/84/90/29/1284849029.db2.gz POSUVQIZKWAAAB-SJLPKXTDSA-N 1 3 346.519 2.997 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135793 1284850162 /nfs/dbraw/zinc/85/01/62/1284850162.db2.gz XCRVHWHVKKITEJ-JOGGYFKDSA-N 1 3 332.492 2.773 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094241659 1284869461 /nfs/dbraw/zinc/86/94/61/1284869461.db2.gz URXKWORAACTDGQ-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181951 1284944941 /nfs/dbraw/zinc/94/49/41/1284944941.db2.gz LPTXYYVBZKVLGZ-ROUUACIJSA-N 1 3 325.541 2.983 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133181952 1284945389 /nfs/dbraw/zinc/94/53/89/1284945389.db2.gz LPTXYYVBZKVLGZ-ZWKOTPCHSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133253596 1285091988 /nfs/dbraw/zinc/09/19/88/1285091988.db2.gz KEZQBKPCXVBKRU-ICSRJNTNSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133274025 1285112871 /nfs/dbraw/zinc/11/28/71/1285112871.db2.gz AICDOFAMZDGWCY-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C ZINC001133337777 1285216415 /nfs/dbraw/zinc/21/64/15/1285216415.db2.gz PPBSHKCDASECCZ-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345482 1285227493 /nfs/dbraw/zinc/22/74/93/1285227493.db2.gz CREBQIDJKYWFCA-MSOLQXFVSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]2C)c1 ZINC001133346198 1285228419 /nfs/dbraw/zinc/22/84/19/1285228419.db2.gz KTXUTLZSGVNESU-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346362 1285229208 /nfs/dbraw/zinc/22/92/08/1285229208.db2.gz LYFRUTYDCYMHGQ-AEFFLSMTSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133347349 1285235101 /nfs/dbraw/zinc/23/51/01/1285235101.db2.gz WBWFYOFXLLAEOC-AEFFLSMTSA-N 1 3 349.494 2.740 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@H]1C ZINC001133403913 1285356706 /nfs/dbraw/zinc/35/67/06/1285356706.db2.gz PBTJKCVZCXJXDR-OAHLLOKOSA-N 1 3 337.895 2.762 20 0 EFADHO O=C(Cc1c[nH]cn1)N(CC[NH2+]CC1CC1)Cc1cccc(Cl)c1 ZINC001133405779 1285359533 /nfs/dbraw/zinc/35/95/33/1285359533.db2.gz PZCSOIUQRYWURY-UHFFFAOYSA-N 1 3 346.862 2.634 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001133415720 1285378734 /nfs/dbraw/zinc/37/87/34/1285378734.db2.gz LLZDHFVPQWEOQT-DLBZAZTESA-N 1 3 337.895 2.619 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001133434426 1285424882 /nfs/dbraw/zinc/42/48/82/1285424882.db2.gz QFEJIZPRDOTGGH-LJQANCHMSA-N 1 3 327.472 2.632 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCc1ccc(Cl)cc1)N(C)C ZINC001133434704 1285424918 /nfs/dbraw/zinc/42/49/18/1285424918.db2.gz ZPAHUYRTHXHKPX-QGZVFWFLSA-N 1 3 339.911 2.565 20 0 EFADHO CC[C@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(F)cc1F ZINC001133434027 1285424939 /nfs/dbraw/zinc/42/49/39/1285424939.db2.gz HQXJTUPUROWZIF-DLBZAZTESA-N 1 3 341.446 2.708 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001171509008 1285615395 /nfs/dbraw/zinc/61/53/95/1285615395.db2.gz LEAUNQVLUKEWBN-BILBVFMZSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001171509009 1285615457 /nfs/dbraw/zinc/61/54/57/1285615457.db2.gz LEAUNQVLUKEWBN-NKMUALHBSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001171509246 1285618725 /nfs/dbraw/zinc/61/87/25/1285618725.db2.gz NNNZETJFQIHQHQ-UKRRQHHQSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001171510126 1285619642 /nfs/dbraw/zinc/61/96/42/1285619642.db2.gz YPBQFSKQVSVACA-QFBILLFUSA-N 1 3 349.519 2.800 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001171510147 1285620731 /nfs/dbraw/zinc/62/07/31/1285620731.db2.gz YTAGZBIWHFYSET-ZWKOTPCHSA-N 1 3 343.556 2.654 20 0 EFADHO C[C@H](NCCCNC(=O)CCCC[NH+](C)C)c1cc(F)ccc1F ZINC001171584980 1285634581 /nfs/dbraw/zinc/63/45/81/1285634581.db2.gz FITHMMCUZXXHGU-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H]1CCCO1 ZINC001171586284 1285636897 /nfs/dbraw/zinc/63/68/97/1285636897.db2.gz KYJWEGGODGVRDA-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC(N)C2)C[C@@H]1C(C)(C)C ZINC001171592284 1285640168 /nfs/dbraw/zinc/64/01/68/1285640168.db2.gz BMHBXEJIBPKRQQ-HXSCFSKGSA-N 1 3 325.497 2.880 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171592100 1285640745 /nfs/dbraw/zinc/64/07/45/1285640745.db2.gz YYLOUQFCYBBHIG-RRFJBIMHSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171592100 1285640752 /nfs/dbraw/zinc/64/07/52/1285640752.db2.gz YYLOUQFCYBBHIG-RRFJBIMHSA-N 1 3 325.497 2.834 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001171579268 1285659066 /nfs/dbraw/zinc/65/90/66/1285659066.db2.gz SFTLHDFQHUUGNJ-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](NC2(C[NH3+])CC2)C[C@@H]1C(C)(C)C ZINC001171595518 1285666854 /nfs/dbraw/zinc/66/68/54/1285666854.db2.gz FRRJULVNFPDCHR-ZIAGYGMSSA-N 1 3 325.497 2.882 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](NC2(C[NH3+])CC2)C[C@H]1C(C)(C)C ZINC001171595515 1285666876 /nfs/dbraw/zinc/66/68/76/1285666876.db2.gz FRRJULVNFPDCHR-KBPBESRZSA-N 1 3 325.497 2.882 20 0 EFADHO CN(C)C(=O)[C@H]1CC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171636080 1285715533 /nfs/dbraw/zinc/71/55/33/1285715533.db2.gz AKRLCKMGBPXSNQ-MRXNPFEDSA-N 1 3 335.536 2.828 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(N3CCCOC3=O)CC2)CC1(C)C ZINC001171640346 1285718860 /nfs/dbraw/zinc/71/88/60/1285718860.db2.gz DJGMKRUKZBKFSP-UHFFFAOYSA-N 1 3 337.508 2.945 20 0 EFADHO C[NH+]1C(C)(C)CC(N2CCC(N3CCCOC3=O)CC2)CC1(C)C ZINC001171640346 1285718864 /nfs/dbraw/zinc/71/88/64/1285718864.db2.gz DJGMKRUKZBKFSP-UHFFFAOYSA-N 1 3 337.508 2.945 20 0 EFADHO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640311 1285718898 /nfs/dbraw/zinc/71/88/98/1285718898.db2.gz BUKPYENQMRJASA-HNNXBMFYSA-N 1 3 338.540 2.810 20 0 EFADHO CC(C)NC(=O)N[C@H]1CCC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171640311 1285718904 /nfs/dbraw/zinc/71/89/04/1285718904.db2.gz BUKPYENQMRJASA-HNNXBMFYSA-N 1 3 338.540 2.810 20 0 EFADHO C[C@@H]1C[C@H](N2CCCc3ccc(CN)nc32)C[N@@H+]1Cc1ccccc1 ZINC001171733654 1285742771 /nfs/dbraw/zinc/74/27/71/1285742771.db2.gz XIJCUHFVPNIUJZ-UZLBHIALSA-N 1 3 336.483 2.956 20 0 EFADHO C[C@@H]1C[C@H](N2CCCc3ccc(CN)nc32)C[N@H+]1Cc1ccccc1 ZINC001171733654 1285742776 /nfs/dbraw/zinc/74/27/76/1285742776.db2.gz XIJCUHFVPNIUJZ-UZLBHIALSA-N 1 3 336.483 2.956 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001171762401 1285769372 /nfs/dbraw/zinc/76/93/72/1285769372.db2.gz CMGSNVRYYFDQJN-GQCTYLIASA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC001171763044 1285769506 /nfs/dbraw/zinc/76/95/06/1285769506.db2.gz RYWAEPVHHGIABR-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC001171762385 1285769916 /nfs/dbraw/zinc/76/99/16/1285769916.db2.gz BXHSKASAHZUFML-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001171762841 1285770087 /nfs/dbraw/zinc/77/00/87/1285770087.db2.gz NETQAMNRDGJYBE-QGZVFWFLSA-N 1 3 337.895 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001171763308 1285770218 /nfs/dbraw/zinc/77/02/18/1285770218.db2.gz YMXDXDRJELIOHX-AWEZNQCLSA-N 1 3 325.884 2.839 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001171762458 1285770862 /nfs/dbraw/zinc/77/08/62/1285770862.db2.gz FDIYHJVLODVZLP-INIZCTEOSA-N 1 3 331.504 2.674 20 0 EFADHO C[C@@H]1C[C@H](n2c(=N)sc3c2CCNC3)C[N@@H+]1Cc1ccccc1 ZINC001171764137 1285771891 /nfs/dbraw/zinc/77/18/91/1285771891.db2.gz RDYHUCPHYFADHE-HIFRSBDPSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@@H]1C[C@H](n2c(=N)sc3c2CCNC3)C[N@H+]1Cc1ccccc1 ZINC001171764137 1285771898 /nfs/dbraw/zinc/77/18/98/1285771898.db2.gz RDYHUCPHYFADHE-HIFRSBDPSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838699 1285845679 /nfs/dbraw/zinc/84/56/79/1285845679.db2.gz ISWDSIDOPMIHKU-HUUCEWRRSA-N 1 3 325.497 2.835 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838699 1285845690 /nfs/dbraw/zinc/84/56/90/1285845690.db2.gz ISWDSIDOPMIHKU-HUUCEWRRSA-N 1 3 325.497 2.835 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171892454 1285881055 /nfs/dbraw/zinc/88/10/55/1285881055.db2.gz YZHQUNCZMHSAMW-AABGKKOBSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171892454 1285881064 /nfs/dbraw/zinc/88/10/64/1285881064.db2.gz YZHQUNCZMHSAMW-AABGKKOBSA-N 1 3 341.499 2.565 20 0 EFADHO CC1(C)C[C@@H](N2CCC(NC(N)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976840 1285959585 /nfs/dbraw/zinc/95/95/85/1285959585.db2.gz NNGDSIITMFFMHF-SFHVURJKSA-N 1 3 344.503 2.562 20 0 EFADHO CC1(C)C[C@@H](N2CCC(NC(N)=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976840 1285959593 /nfs/dbraw/zinc/95/95/93/1285959593.db2.gz NNGDSIITMFFMHF-SFHVURJKSA-N 1 3 344.503 2.562 20 0 EFADHO CC1(C)C[C@H](N2CCC(NC(N)=O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171976835 1285959780 /nfs/dbraw/zinc/95/97/80/1285959780.db2.gz NNGDSIITMFFMHF-GOSISDBHSA-N 1 3 344.503 2.562 20 0 EFADHO CC1(C)C[C@H](N2CCC(NC(N)=O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976835 1285959785 /nfs/dbraw/zinc/95/97/85/1285959785.db2.gz NNGDSIITMFFMHF-GOSISDBHSA-N 1 3 344.503 2.562 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976896 1285960093 /nfs/dbraw/zinc/96/00/93/1285960093.db2.gz VFQVQPJZTIDRFR-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976896 1285960094 /nfs/dbraw/zinc/96/00/94/1285960094.db2.gz VFQVQPJZTIDRFR-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1nc(=N)n([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1CN ZINC001171980206 1285961489 /nfs/dbraw/zinc/96/14/89/1285961489.db2.gz SWMHJZUHYVXWEE-SFHVURJKSA-N 1 3 339.487 2.745 20 0 EFADHO Cc1nc(=N)n([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1CN ZINC001171980206 1285961494 /nfs/dbraw/zinc/96/14/94/1285961494.db2.gz SWMHJZUHYVXWEE-SFHVURJKSA-N 1 3 339.487 2.745 20 0 EFADHO CC1(C)C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CCN1Cc1ccccc1 ZINC001171984722 1285963663 /nfs/dbraw/zinc/96/36/63/1285963663.db2.gz XYLUPBQJTUKPPS-LSDHHAIUSA-N 1 3 330.394 2.942 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984371 1285964870 /nfs/dbraw/zinc/96/48/70/1285964870.db2.gz VFQVQPJZTIDRFR-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984371 1285964873 /nfs/dbraw/zinc/96/48/73/1285964873.db2.gz VFQVQPJZTIDRFR-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984123 1285965042 /nfs/dbraw/zinc/96/50/42/1285965042.db2.gz IDCXAOZVMLUMAE-QZTJIDSGSA-N 1 3 329.488 2.769 20 0 EFADHO CC1(C)C[C@H]([N@H+]2CCCC[C@@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984123 1285965050 /nfs/dbraw/zinc/96/50/50/1285965050.db2.gz IDCXAOZVMLUMAE-QZTJIDSGSA-N 1 3 329.488 2.769 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987381 1285966023 /nfs/dbraw/zinc/96/60/23/1285966023.db2.gz UKJDYNGMBYUHIA-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987381 1285966024 /nfs/dbraw/zinc/96/60/24/1285966024.db2.gz UKJDYNGMBYUHIA-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001133819372 1285973834 /nfs/dbraw/zinc/97/38/34/1285973834.db2.gz AFXQAQNQYNAINQ-CXAGYDPISA-N 1 3 335.879 2.517 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001133823390 1285981115 /nfs/dbraw/zinc/98/11/15/1285981115.db2.gz FFUOQMQCXGPLJW-MRXNPFEDSA-N 1 3 325.456 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001133823401 1285981287 /nfs/dbraw/zinc/98/12/87/1285981287.db2.gz FLZJXAVCGOBLCG-LBPRGKRZSA-N 1 3 344.286 2.684 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172076903 1285995051 /nfs/dbraw/zinc/99/50/51/1285995051.db2.gz AWQZXSCLYLKMBD-ACDBMABISA-N 1 3 343.515 2.982 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076903 1285995057 /nfs/dbraw/zinc/99/50/57/1285995057.db2.gz AWQZXSCLYLKMBD-ACDBMABISA-N 1 3 343.515 2.982 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078923 1285996876 /nfs/dbraw/zinc/99/68/76/1285996876.db2.gz KFJGOZQCPBNAPG-RDGPPVDQSA-N 1 3 341.499 2.686 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078923 1285996884 /nfs/dbraw/zinc/99/68/84/1285996884.db2.gz KFJGOZQCPBNAPG-RDGPPVDQSA-N 1 3 341.499 2.686 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001172101594 1285999192 /nfs/dbraw/zinc/99/91/92/1285999192.db2.gz FSPSYGIZRRUPEP-FCGDIQPGSA-N 1 3 344.503 2.512 20 0 EFADHO N=c1ncc(CN)cn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065293 1286007180 /nfs/dbraw/zinc/00/71/80/1286007180.db2.gz JZXZIEBXHNCNBA-REPLKXPHSA-N 1 3 337.471 2.579 20 0 EFADHO N=c1ncc(CN)cn1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065293 1286007189 /nfs/dbraw/zinc/00/71/89/1286007189.db2.gz JZXZIEBXHNCNBA-REPLKXPHSA-N 1 3 337.471 2.579 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001133824082 1286008911 /nfs/dbraw/zinc/00/89/11/1286008911.db2.gz XIWMAUKHUMXZCH-WMLDXEAASA-N 1 3 337.895 2.981 20 0 EFADHO COC(=O)c1cccc2c1CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172127329 1286011301 /nfs/dbraw/zinc/01/13/01/1286011301.db2.gz IFWPKIPSSMNQPT-FVQHAEBGSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1cccc2c1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172127329 1286011302 /nfs/dbraw/zinc/01/13/02/1286011302.db2.gz IFWPKIPSSMNQPT-FVQHAEBGSA-N 1 3 328.456 2.847 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1cccc2ccccc21 ZINC001133850437 1286013036 /nfs/dbraw/zinc/01/30/36/1286013036.db2.gz MVFHDKHJWCMNML-IAGOWNOFSA-N 1 3 339.483 2.948 20 0 EFADHO COc1cccnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172130445 1286014655 /nfs/dbraw/zinc/01/46/55/1286014655.db2.gz ILXUMZMTYMJSOM-YVSFHVDLSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172130445 1286014659 /nfs/dbraw/zinc/01/46/59/1286014659.db2.gz ILXUMZMTYMJSOM-YVSFHVDLSA-N 1 3 331.460 2.559 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172134761 1286016846 /nfs/dbraw/zinc/01/68/46/1286016846.db2.gz ZFBSILDZIXUNSS-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172134761 1286016852 /nfs/dbraw/zinc/01/68/52/1286016852.db2.gz ZFBSILDZIXUNSS-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172134758 1286017203 /nfs/dbraw/zinc/01/72/03/1286017203.db2.gz ZFBSILDZIXUNSS-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172134758 1286017206 /nfs/dbraw/zinc/01/72/06/1286017206.db2.gz ZFBSILDZIXUNSS-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172134756 1286017245 /nfs/dbraw/zinc/01/72/45/1286017245.db2.gz ZFBSILDZIXUNSS-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172134756 1286017246 /nfs/dbraw/zinc/01/72/46/1286017246.db2.gz ZFBSILDZIXUNSS-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172109167 1286023714 /nfs/dbraw/zinc/02/37/14/1286023714.db2.gz CAXDQVADUGMZPM-BCDXTJNWSA-N 1 3 349.519 2.946 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001133845872 1286023816 /nfs/dbraw/zinc/02/38/16/1286023816.db2.gz PDQODDMUEQYMQE-PBHICJAKSA-N 1 3 337.895 2.839 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119731 1286028174 /nfs/dbraw/zinc/02/81/74/1286028174.db2.gz ZXLRWSJABNDYHG-IVAOSVALSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@H+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001172119731 1286028179 /nfs/dbraw/zinc/02/81/79/1286028179.db2.gz ZXLRWSJABNDYHG-IVAOSVALSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)(C)CCC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856422 1286030761 /nfs/dbraw/zinc/03/07/61/1286030761.db2.gz FCDPSSAGARGVEV-GOSISDBHSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCCC2CCCC2)C1 ZINC001133849642 1286031389 /nfs/dbraw/zinc/03/13/89/1286031389.db2.gz BDHKEIRSTWSUHL-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001133856814 1286032436 /nfs/dbraw/zinc/03/24/36/1286032436.db2.gz RUJWIKJLCKSFIZ-BEFAXECRSA-N 1 3 335.467 2.666 20 0 EFADHO O=C1CC[C@@H]2C[C@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)CCN12 ZINC001172165912 1286044514 /nfs/dbraw/zinc/04/45/14/1286044514.db2.gz KVDXDSBPVLMTRY-QXAKKESOSA-N 1 3 331.504 2.550 20 0 EFADHO COCCC[NH+]1CCC(NC2(c3ccccc3)CCOCC2)CC1 ZINC001172242474 1286075870 /nfs/dbraw/zinc/07/58/70/1286075870.db2.gz CTLQRTZOPZMBJK-UHFFFAOYSA-N 1 3 332.488 2.783 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001133896215 1286076168 /nfs/dbraw/zinc/07/61/68/1286076168.db2.gz FDWZGWBKQUUAMF-KRWDZBQOSA-N 1 3 335.467 2.715 20 0 EFADHO CCN(CCNC1CC[NH+](CCCOC)CC1)c1cccc(C)c1 ZINC001172243619 1286076774 /nfs/dbraw/zinc/07/67/74/1286076774.db2.gz XNFNESVJZMFCTA-UHFFFAOYSA-N 1 3 333.520 2.912 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133897126 1286077505 /nfs/dbraw/zinc/07/75/05/1286077505.db2.gz ZUDCTHOCVAOXRJ-QGZVFWFLSA-N 1 3 331.504 2.802 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001133896663 1286078070 /nfs/dbraw/zinc/07/80/70/1286078070.db2.gz NIZMBASIMLOVOO-GOSISDBHSA-N 1 3 343.515 2.544 20 0 EFADHO COCCCN1CCC([NH2+]Cc2c(=O)[nH]c(C)c3c2CCCC3)CC1 ZINC001172247770 1286079918 /nfs/dbraw/zinc/07/99/18/1286079918.db2.gz VRWZZPQQYYSLDA-UHFFFAOYSA-N 1 3 347.503 2.565 20 0 EFADHO COCCC[NH+]1CCC(N[C@H](C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC001172247608 1286080080 /nfs/dbraw/zinc/08/00/80/1286080080.db2.gz NLGWYXFHRKTKLE-KDOFPFPSSA-N 1 3 340.895 2.852 20 0 EFADHO COCCC[NH+]1CCC(N(C)Cc2ccc(-n3ccnc3)cc2)CC1 ZINC001172254855 1286084209 /nfs/dbraw/zinc/08/42/09/1286084209.db2.gz YAOCQRBCUAPTRT-UHFFFAOYSA-N 1 3 342.487 2.805 20 0 EFADHO COCCC[NH+]1CCC(N2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001172254052 1286084544 /nfs/dbraw/zinc/08/45/44/1286084544.db2.gz HZCBZLGHXJEPSD-QGZVFWFLSA-N 1 3 340.508 2.684 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC001133908105 1286092251 /nfs/dbraw/zinc/09/22/51/1286092251.db2.gz HYGJQXXLUOICOW-ZDUSSCGKSA-N 1 3 341.446 2.710 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001133899729 1286099900 /nfs/dbraw/zinc/09/99/00/1286099900.db2.gz ULJFDPRFSXQQFF-UHFFFAOYSA-N 1 3 333.520 2.796 20 0 EFADHO Cc1cc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001133918721 1286115393 /nfs/dbraw/zinc/11/53/93/1286115393.db2.gz ZTJQCISYNYQFFA-UHFFFAOYSA-N 1 3 325.522 2.549 20 0 EFADHO CC(C)OCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172438330 1286148665 /nfs/dbraw/zinc/14/86/65/1286148665.db2.gz PNPHHIWSLXHKET-SFHVURJKSA-N 1 3 333.520 2.727 20 0 EFADHO CC(C)OCC[C@@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172438329 1286149270 /nfs/dbraw/zinc/14/92/70/1286149270.db2.gz PNPHHIWSLXHKET-GOSISDBHSA-N 1 3 333.520 2.727 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2ccsc2)cc1)N(C)C ZINC001133965638 1286172148 /nfs/dbraw/zinc/17/21/48/1286172148.db2.gz CHYXDZRLWDHMKN-SFHVURJKSA-N 1 3 345.512 2.961 20 0 EFADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001172601254 1286196706 /nfs/dbraw/zinc/19/67/06/1286196706.db2.gz FAOSBLQCCSMLSA-OALUTQOASA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001172601215 1286196837 /nfs/dbraw/zinc/19/68/37/1286196837.db2.gz DUMXZYAPFVORSJ-FUHWJXTLSA-N 1 3 348.462 2.893 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001172605042 1286199818 /nfs/dbraw/zinc/19/98/18/1286199818.db2.gz OCQRGMFCCZMUQY-RBUKOAKNSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001172605040 1286199954 /nfs/dbraw/zinc/19/99/54/1286199954.db2.gz OCQRGMFCCZMUQY-OALUTQOASA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001172607286 1286200348 /nfs/dbraw/zinc/20/03/48/1286200348.db2.gz XOUYBITYVTZTFT-MSOLQXFVSA-N 1 3 345.487 2.615 20 0 EFADHO O=C1C[C@H](NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172664377 1286237592 /nfs/dbraw/zinc/23/75/92/1286237592.db2.gz NKMFIJWHVHQJNB-HXUWFJFHSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)OC(=O)CC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172746918 1286254809 /nfs/dbraw/zinc/25/48/09/1286254809.db2.gz WEICFMXSDNJPCY-INIZCTEOSA-N 1 3 340.508 2.587 20 0 EFADHO CC(C)OC(=O)CC[C@H](C)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001172746918 1286254811 /nfs/dbraw/zinc/25/48/11/1286254811.db2.gz WEICFMXSDNJPCY-INIZCTEOSA-N 1 3 340.508 2.587 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@@H](OC)C1)C2 ZINC001172938605 1286341906 /nfs/dbraw/zinc/34/19/06/1286341906.db2.gz ROVPEMWNROXZFI-UAFMIMERSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@@H](OC)C1)C2 ZINC001172938605 1286341913 /nfs/dbraw/zinc/34/19/13/1286341913.db2.gz ROVPEMWNROXZFI-UAFMIMERSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061878 1286397168 /nfs/dbraw/zinc/39/71/68/1286397168.db2.gz MHFBJKFFJIUYQB-VVLHAWIVSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061878 1286397178 /nfs/dbraw/zinc/39/71/78/1286397178.db2.gz MHFBJKFFJIUYQB-VVLHAWIVSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001173075934 1286409316 /nfs/dbraw/zinc/40/93/16/1286409316.db2.gz MAOBMACLXPZFRY-JKSUJKDBSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@@H]1CC[C@@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001173074718 1286409435 /nfs/dbraw/zinc/40/94/35/1286409435.db2.gz ICHTZJSFQRIEII-YKTARERQSA-N 1 3 337.508 2.658 20 0 EFADHO CC[NH+](CC)C1CCC(NCc2ccccc2S(C)(=O)=O)CC1 ZINC001173107953 1286414218 /nfs/dbraw/zinc/41/42/18/1286414218.db2.gz UMMBIGGLHWWSDT-UHFFFAOYSA-N 1 3 338.517 2.833 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173135982 1286424318 /nfs/dbraw/zinc/42/43/18/1286424318.db2.gz ZFYOTHTXBZCTLU-LPHOPBHVSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@H]3CCc4ncsc4C3)C2)C1 ZINC001173135982 1286424325 /nfs/dbraw/zinc/42/43/25/1286424325.db2.gz ZFYOTHTXBZCTLU-LPHOPBHVSA-N 1 3 349.544 2.823 20 0 EFADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061273 1286471063 /nfs/dbraw/zinc/47/10/63/1286471063.db2.gz SMVMGQNOBKCITK-WDSOQIARSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]C/C=C\Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369172 1286639280 /nfs/dbraw/zinc/63/92/80/1286639280.db2.gz HTOLPGDSRBQLLI-SFRZCGLPSA-N 1 3 329.916 2.876 20 0 EFADHO CC(C)OCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369580 1286640542 /nfs/dbraw/zinc/64/05/42/1286640542.db2.gz OMKOHXHYYCZOET-IRXDYDNUSA-N 1 3 341.540 2.549 20 0 EFADHO CC(C)OCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369579 1286640720 /nfs/dbraw/zinc/64/07/20/1286640720.db2.gz OMKOHXHYYCZOET-IAGOWNOFSA-N 1 3 341.540 2.549 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1cccnc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369826 1286641434 /nfs/dbraw/zinc/64/14/34/1286641434.db2.gz SKQLPEZPMPHYBY-DLBZAZTESA-N 1 3 346.519 2.719 20 0 EFADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170749757 1286674804 /nfs/dbraw/zinc/67/48/04/1286674804.db2.gz BVQRZVNPORMYJF-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO COC(=O)c1ccc(C[C@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001173722869 1286768708 /nfs/dbraw/zinc/76/87/08/1286768708.db2.gz GDTQHADITCDCMV-INIZCTEOSA-N 1 3 339.439 2.621 20 0 EFADHO C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000822797957 1289108093 /nfs/dbraw/zinc/10/80/93/1289108093.db2.gz OIFZHJHAFZVDIW-KFWWJZLASA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000822797957 1289108099 /nfs/dbraw/zinc/10/80/99/1289108099.db2.gz OIFZHJHAFZVDIW-KFWWJZLASA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000822797957 1289108103 /nfs/dbraw/zinc/10/81/03/1289108103.db2.gz OIFZHJHAFZVDIW-KFWWJZLASA-N 1 3 334.335 2.528 20 0 EFADHO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583505 1286916416 /nfs/dbraw/zinc/91/64/16/1286916416.db2.gz LWXWPQSXJOVUBT-HOTGVXAUSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583380 1286916519 /nfs/dbraw/zinc/91/65/19/1286916519.db2.gz JVVDFCJAKCFHOP-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583383 1286916907 /nfs/dbraw/zinc/91/69/07/1286916907.db2.gz JVVDFCJAKCFHOP-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCCc1ccccc1 ZINC001134582888 1286917742 /nfs/dbraw/zinc/91/77/42/1286917742.db2.gz BELRGMOQFNUYLA-MSOLQXFVSA-N 1 3 345.531 2.976 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608525 1286969851 /nfs/dbraw/zinc/96/98/51/1286969851.db2.gz WVKOQKXBVPDKDI-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001174692007 1287114350 /nfs/dbraw/zinc/11/43/50/1287114350.db2.gz OQNVBTICMULYKM-GFCCVEGCSA-N 1 3 334.851 2.771 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001134759458 1287154363 /nfs/dbraw/zinc/15/43/63/1287154363.db2.gz PGOYOHWWZQYXGJ-BLRBJFNZSA-N 1 3 329.488 2.669 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134758985 1287154558 /nfs/dbraw/zinc/15/45/58/1287154558.db2.gz DTEVEQQATYBODJ-IBGZPJMESA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134762510 1287160019 /nfs/dbraw/zinc/16/00/19/1287160019.db2.gz ACKYWIKIOLGVQQ-GOSISDBHSA-N 1 3 335.467 2.603 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001134766364 1287163263 /nfs/dbraw/zinc/16/32/63/1287163263.db2.gz GGRCMUQFBZZHAT-HZPDHXFCSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001134766174 1287163916 /nfs/dbraw/zinc/16/39/16/1287163916.db2.gz DSKKKEWAEZLIKK-RBUKOAKNSA-N 1 3 347.478 2.782 20 0 EFADHO COc1cccc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134767476 1287163954 /nfs/dbraw/zinc/16/39/54/1287163954.db2.gz YLXGTBCDCKEIKA-QFBILLFUSA-N 1 3 347.503 2.725 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001134766685 1287164105 /nfs/dbraw/zinc/16/41/05/1287164105.db2.gz LGCKASPJKMKMFL-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001134770036 1287167672 /nfs/dbraw/zinc/16/76/72/1287167672.db2.gz PVKNRNBTZMWWDF-IBGZPJMESA-N 1 3 331.504 2.588 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001134773080 1287170060 /nfs/dbraw/zinc/17/00/60/1287170060.db2.gz KNUIALITBMUSPJ-ZIAGYGMSSA-N 1 3 325.522 2.851 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001134773083 1287170490 /nfs/dbraw/zinc/17/04/90/1287170490.db2.gz KUHGPKKPHYSCEL-HUUCEWRRSA-N 1 3 337.483 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001134773671 1287171224 /nfs/dbraw/zinc/17/12/24/1287171224.db2.gz QFUKEAHHCSVMNL-VXGBXAGGSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC001134773170 1287171295 /nfs/dbraw/zinc/17/12/95/1287171295.db2.gz MVKGKIGDAJIYPG-HOTGVXAUSA-N 1 3 349.519 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001134774071 1287171411 /nfs/dbraw/zinc/17/14/11/1287171411.db2.gz URWDLBNOFMCQEY-SJORKVTESA-N 1 3 333.520 2.832 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC001134774415 1287171857 /nfs/dbraw/zinc/17/18/57/1287171857.db2.gz YENYMXLGQGAOEH-CABCVRRESA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114483570 1287196281 /nfs/dbraw/zinc/19/62/81/1287196281.db2.gz JEEDXOHKBVUOPD-VIBAHUMZSA-N 1 3 347.478 2.663 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114483570 1287196283 /nfs/dbraw/zinc/19/62/83/1287196283.db2.gz JEEDXOHKBVUOPD-VIBAHUMZSA-N 1 3 347.478 2.663 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114484091 1287197434 /nfs/dbraw/zinc/19/74/34/1287197434.db2.gz RJAPDAFPENSZDU-YSHGAJCASA-N 1 3 343.515 2.833 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114484091 1287197439 /nfs/dbraw/zinc/19/74/39/1287197439.db2.gz RJAPDAFPENSZDU-YSHGAJCASA-N 1 3 343.515 2.833 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822851024 1289132876 /nfs/dbraw/zinc/13/28/76/1289132876.db2.gz BIBILNVJXRILRI-OAHLLOKOSA-N 1 3 348.362 2.920 20 0 EFADHO C[C@@H](CCCCNCc1nccs1)NC(=O)CCCC[NH+](C)C ZINC001176230629 1287907254 /nfs/dbraw/zinc/90/72/54/1287907254.db2.gz LKCUJSWYKSELAS-HNNXBMFYSA-N 1 3 340.537 2.640 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001179439504 1289140461 /nfs/dbraw/zinc/14/04/61/1289140461.db2.gz RRSIKKJGWCARRA-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC/C(Cl)=C/Cl ZINC001135297411 1287912075 /nfs/dbraw/zinc/91/20/75/1287912075.db2.gz BBOOWBWYBVBCSG-LSOFDGFXSA-N 1 3 336.307 2.520 20 0 EFADHO C[C@@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1c(F)cccc1F ZINC001135315554 1287944518 /nfs/dbraw/zinc/94/45/18/1287944518.db2.gz QAFKVXFKKXFLCT-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCCNCc2cc(F)cc(F)c2)cc1 ZINC001135341199 1287950129 /nfs/dbraw/zinc/95/01/29/1287950129.db2.gz QRFKPZTWLROPAA-UHFFFAOYSA-N 1 3 347.409 2.546 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176352076 1287962498 /nfs/dbraw/zinc/96/24/98/1287962498.db2.gz ZNRGMZMUIRDHGG-GFCCVEGCSA-N 1 3 342.434 2.571 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1cc(C)ccc1OC)C(C)C ZINC001135474316 1288024236 /nfs/dbraw/zinc/02/42/36/1288024236.db2.gz NEGPUWFVAIMEAH-LJQANCHMSA-N 1 3 349.519 2.576 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1ccc(Cl)s1)C(C)C ZINC001135474687 1288024809 /nfs/dbraw/zinc/02/48/09/1288024809.db2.gz XJAJDYOMIDFQED-HNNXBMFYSA-N 1 3 345.940 2.974 20 0 EFADHO Cc1ncccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475642 1288047306 /nfs/dbraw/zinc/04/73/06/1288047306.db2.gz DGKLIJGZPNPATH-HZPDHXFCSA-N 1 3 348.535 2.741 20 0 EFADHO Cc1nc2ccc(F)cn2c1Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001176653674 1288077892 /nfs/dbraw/zinc/07/78/92/1288077892.db2.gz DTNIHLSUALLTPK-UHFFFAOYSA-N 1 3 340.406 2.672 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739807 1288090137 /nfs/dbraw/zinc/09/01/37/1288090137.db2.gz ZRPLIDHSYXJBNN-IAGOWNOFSA-N 1 3 349.519 2.661 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746094 1288092780 /nfs/dbraw/zinc/09/27/80/1288092780.db2.gz FBYSMBPSJQPTPL-SJORKVTESA-N 1 3 349.519 2.661 20 0 EFADHO C[C@@H](CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000217955421 1288115288 /nfs/dbraw/zinc/11/52/88/1288115288.db2.gz JOJPWJKNUMVJIA-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000217955421 1288115298 /nfs/dbraw/zinc/11/52/98/1288115298.db2.gz JOJPWJKNUMVJIA-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1cc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)sn1 ZINC001176753284 1288119083 /nfs/dbraw/zinc/11/90/83/1288119083.db2.gz FCCDTVYJKZSGEW-AWEZNQCLSA-N 1 3 340.537 2.556 20 0 EFADHO COc1cccc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001176753719 1288119940 /nfs/dbraw/zinc/11/99/40/1288119940.db2.gz LQAAVWWLVJMKBD-QGZVFWFLSA-N 1 3 349.519 2.800 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H]1CCCCO1 ZINC001176754446 1288120583 /nfs/dbraw/zinc/12/05/83/1288120583.db2.gz VXJHNKXLAMTEQE-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCOC ZINC001176758458 1288121381 /nfs/dbraw/zinc/12/13/81/1288121381.db2.gz CKQOBKQVZXEHED-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176758776 1288121930 /nfs/dbraw/zinc/12/19/30/1288121930.db2.gz DSEOUXRRVMANRS-MRXNPFEDSA-N 1 3 339.549 2.895 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176760392 1288122302 /nfs/dbraw/zinc/12/23/02/1288122302.db2.gz WMLOCGKMJPFWAK-IEBWSBKVSA-N 1 3 346.519 2.721 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001176948472 1288191111 /nfs/dbraw/zinc/19/11/11/1288191111.db2.gz YPVHZKDYISJSKF-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001176971755 1288199903 /nfs/dbraw/zinc/19/99/03/1288199903.db2.gz HAYQVNCBHLIEPK-UHFFFAOYSA-N 1 3 327.472 2.776 20 0 EFADHO COc1ccc(C(C)C)cc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975748 1288202414 /nfs/dbraw/zinc/20/24/14/1288202414.db2.gz WWCCPSKYPFRCOB-UHFFFAOYSA-N 1 3 349.519 2.755 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001176987024 1288208541 /nfs/dbraw/zinc/20/85/41/1288208541.db2.gz ZPLSWXUKYYPLOF-FQEVSTJZSA-N 1 3 345.531 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001176991834 1288216522 /nfs/dbraw/zinc/21/65/22/1288216522.db2.gz FLICASHZXMAHSW-SFHVURJKSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001176992347 1288218824 /nfs/dbraw/zinc/21/88/24/1288218824.db2.gz MVLCMJCYOOYKCF-OALUTQOASA-N 1 3 347.478 2.783 20 0 EFADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001176992419 1288218842 /nfs/dbraw/zinc/21/88/42/1288218842.db2.gz ORHYKDJZFIDHJZ-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1ccccc1C ZINC001135706106 1288290687 /nfs/dbraw/zinc/29/06/87/1288290687.db2.gz OXMYOHUBMFVFRV-ZWKOTPCHSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135706621 1288291051 /nfs/dbraw/zinc/29/10/51/1288291051.db2.gz XQKFFHWVSHYHTJ-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCCCCF)N(C)C ZINC001179498703 1289170935 /nfs/dbraw/zinc/17/09/35/1289170935.db2.gz DQIQRYYWJYIGKL-QGZVFWFLSA-N 1 3 331.520 2.979 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135743195 1288323750 /nfs/dbraw/zinc/32/37/50/1288323750.db2.gz GPSHFEXPULNNQA-MSOLQXFVSA-N 1 3 333.520 2.752 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC ZINC001135743673 1288324102 /nfs/dbraw/zinc/32/41/02/1288324102.db2.gz NZCVPBYMPWELPD-IRXDYDNUSA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135743634 1288324395 /nfs/dbraw/zinc/32/43/95/1288324395.db2.gz NFHLWOVJSVOZFS-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135743631 1288324519 /nfs/dbraw/zinc/32/45/19/1288324519.db2.gz NFHLWOVJSVOZFS-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001135744267 1288325349 /nfs/dbraw/zinc/32/53/49/1288325349.db2.gz YLWDAXWEXJIBDD-KBPBESRZSA-N 1 3 339.446 2.934 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135743959 1288325374 /nfs/dbraw/zinc/32/53/74/1288325374.db2.gz SMQCRVOBARZGHI-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135744064 1288325719 /nfs/dbraw/zinc/32/57/19/1288325719.db2.gz VBAXFLQHJZFFIO-IAGOWNOFSA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135747457 1288329240 /nfs/dbraw/zinc/32/92/40/1288329240.db2.gz QLNMGUNYELVRDD-DLBZAZTESA-N 1 3 349.519 2.718 20 0 EFADHO CN(C)[C@H](C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)C1CC1 ZINC001177339580 1288398814 /nfs/dbraw/zinc/39/88/14/1288398814.db2.gz LCZWNISHQZTDBI-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N(CCC[NH2+]CCF)CC1CCCC1)N(C)C ZINC001177342834 1288400255 /nfs/dbraw/zinc/40/02/55/1288400255.db2.gz WUHLJKSZBGPFAY-KRWDZBQOSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H]1CCN(CC(=O)N(CCC[NH2+]CCCF)CC2CCCC2)C1 ZINC001177415610 1288423603 /nfs/dbraw/zinc/42/36/03/1288423603.db2.gz FUWKFZXCTCPAJR-KRWDZBQOSA-N 1 3 341.515 2.686 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001135883042 1288550075 /nfs/dbraw/zinc/55/00/75/1288550075.db2.gz XZVFMGQCSAXQBE-HUUCEWRRSA-N 1 3 346.475 2.543 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001135883042 1288550080 /nfs/dbraw/zinc/55/00/80/1288550080.db2.gz XZVFMGQCSAXQBE-HUUCEWRRSA-N 1 3 346.475 2.543 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001135883043 1288550176 /nfs/dbraw/zinc/55/01/76/1288550176.db2.gz XZVFMGQCSAXQBE-LSDHHAIUSA-N 1 3 346.475 2.543 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc2ccccc2o1 ZINC001135883043 1288550177 /nfs/dbraw/zinc/55/01/77/1288550177.db2.gz XZVFMGQCSAXQBE-LSDHHAIUSA-N 1 3 346.475 2.543 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135979822 1288703842 /nfs/dbraw/zinc/70/38/42/1288703842.db2.gz JGBNBPXRIKWHIW-IAGOWNOFSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001135979344 1288704438 /nfs/dbraw/zinc/70/44/38/1288704438.db2.gz FUFIDVUSFQTOOK-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135979824 1288704474 /nfs/dbraw/zinc/70/44/74/1288704474.db2.gz JGBNBPXRIKWHIW-SJORKVTESA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135979903 1288705333 /nfs/dbraw/zinc/70/53/33/1288705333.db2.gz KCIUXIVLYMWTHU-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135979905 1288705798 /nfs/dbraw/zinc/70/57/98/1288705798.db2.gz KCIUXIVLYMWTHU-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001135980938 1288706487 /nfs/dbraw/zinc/70/64/87/1288706487.db2.gz VCOZQKURMRMSGI-MSOLQXFVSA-N 1 3 349.519 2.670 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001135981119 1288707000 /nfs/dbraw/zinc/70/70/00/1288707000.db2.gz YERFALALQWQFQT-HOTGVXAUSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135980947 1288707026 /nfs/dbraw/zinc/70/70/26/1288707026.db2.gz VIIOAGCXZPVMJK-HOTGVXAUSA-N 1 3 344.503 2.883 20 0 EFADHO Fc1cccc2c1C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001170969383 1288767782 /nfs/dbraw/zinc/76/77/82/1288767782.db2.gz IBCLMYMLMMDKTI-BZSNNMDCSA-N 1 3 332.463 2.916 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1)C1CC1 ZINC001178698343 1288875382 /nfs/dbraw/zinc/87/53/82/1288875382.db2.gz DPXAUDWHNQTBMI-IBGZPJMESA-N 1 3 331.504 2.793 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001178698866 1288876378 /nfs/dbraw/zinc/87/63/78/1288876378.db2.gz XOWPQENOHFHVNU-LJQANCHMSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)CN(C)C2CCC2)c1 ZINC001178702423 1288878046 /nfs/dbraw/zinc/87/80/46/1288878046.db2.gz OWFLEHUWYCFZKZ-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]CCC(F)(F)F)C1CCC1 ZINC001178701961 1288878103 /nfs/dbraw/zinc/87/81/03/1288878103.db2.gz GXDPXFJZNYYVPA-UHFFFAOYSA-N 1 3 337.430 2.689 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)C(C)(C)N(C)CC ZINC001178853068 1288943239 /nfs/dbraw/zinc/94/32/39/1288943239.db2.gz BBHQUPZNIBISII-UHFFFAOYSA-N 1 3 343.556 2.800 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@H]1CCCCO1 ZINC001178854152 1288943778 /nfs/dbraw/zinc/94/37/78/1288943778.db2.gz VXZXATCOFOKDBJ-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)N(C)C ZINC001178815585 1288944723 /nfs/dbraw/zinc/94/47/23/1288944723.db2.gz FMEXUVHEEHBRFG-LJQANCHMSA-N 1 3 333.520 2.836 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001165809836 1312685754 /nfs/dbraw/zinc/68/57/54/1312685754.db2.gz PWSCBUOHKQPOFM-UHFFFAOYSA-N 1 3 329.504 2.733 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)CN(C)C1CCC1 ZINC001178902381 1288975009 /nfs/dbraw/zinc/97/50/09/1288975009.db2.gz OICSIVOCVHFYFU-ZFWWWQNUSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538699 1289182097 /nfs/dbraw/zinc/18/20/97/1289182097.db2.gz GZTLZRDGNHSGLY-TXPKVOOTSA-N 1 3 339.499 2.744 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)[C@@H]2C)C1 ZINC001179539195 1289183166 /nfs/dbraw/zinc/18/31/66/1289183166.db2.gz QTNWNIYQHSVDBQ-RYRKJORJSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccsc3)[C@@H]2C)C1 ZINC001179539193 1289183273 /nfs/dbraw/zinc/18/32/73/1289183273.db2.gz QTNWNIYQHSVDBQ-BQFCYCMXSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001179546303 1289185537 /nfs/dbraw/zinc/18/55/37/1289185537.db2.gz KLQXKFZGSWVGJB-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001179609726 1289198404 /nfs/dbraw/zinc/19/84/04/1289198404.db2.gz ZDBQDCRHHMCIIL-IBGZPJMESA-N 1 3 349.519 2.802 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617807 1289200156 /nfs/dbraw/zinc/20/01/56/1289200156.db2.gz RJEDHTZGKYYNEJ-UVBFCEBTSA-N 1 3 338.455 2.635 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001179580873 1289201166 /nfs/dbraw/zinc/20/11/66/1289201166.db2.gz UGSZKCLLTKDZKJ-OAHLLOKOSA-N 1 3 345.478 2.782 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580896 1289201291 /nfs/dbraw/zinc/20/12/91/1289201291.db2.gz UXXIRBACNICWAQ-SFHVURJKSA-N 1 3 341.540 2.554 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccccc2)C1 ZINC001179585269 1289203936 /nfs/dbraw/zinc/20/39/36/1289203936.db2.gz GCCDWUFYPPBMBY-GOSISDBHSA-N 1 3 331.504 2.795 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@@H]1C ZINC001179744485 1289255718 /nfs/dbraw/zinc/25/57/18/1289255718.db2.gz SNQXVKIMBIDQSU-ZOCIIQOWSA-N 1 3 347.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]1C ZINC001179763345 1289262481 /nfs/dbraw/zinc/26/24/81/1289262481.db2.gz IFESEMXRFGQHPX-XHSDSOJGSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179763330 1289262686 /nfs/dbraw/zinc/26/26/86/1289262686.db2.gz HMNYVRZNKMEYIG-SCLHNIASSA-N 1 3 329.488 2.621 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)[C@@H]1C ZINC001179763366 1289262739 /nfs/dbraw/zinc/26/27/39/1289262739.db2.gz JMOSIZOFUJHLJL-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H]1C ZINC001179766660 1289264202 /nfs/dbraw/zinc/26/42/02/1289264202.db2.gz XFEWJHYBBBAMEU-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001179982922 1289350342 /nfs/dbraw/zinc/35/03/42/1289350342.db2.gz HVAGLUGCPQGRAI-ZOCIIQOWSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC001179982961 1289351442 /nfs/dbraw/zinc/35/14/42/1289351442.db2.gz JAQAYPYTWHXQLW-YJBOKZPZSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001179983255 1289352137 /nfs/dbraw/zinc/35/21/37/1289352137.db2.gz RKIOXNANAPFCRV-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC001179983271 1289352666 /nfs/dbraw/zinc/35/26/66/1289352666.db2.gz SPLLYBRADCRJBV-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)[C@@H]1C ZINC001179983240 1289352787 /nfs/dbraw/zinc/35/27/87/1289352787.db2.gz QLRQCHSBIYUKOM-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCCCCNC/C(Cl)=C\Cl ZINC001179988748 1289354974 /nfs/dbraw/zinc/35/49/74/1289354974.db2.gz LKVQJGMBBZQSNF-WYMLVPIESA-N 1 3 338.323 2.913 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCCCCNC/C(Cl)=C\Cl ZINC001179988748 1289354982 /nfs/dbraw/zinc/35/49/82/1289354982.db2.gz LKVQJGMBBZQSNF-WYMLVPIESA-N 1 3 338.323 2.913 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)c2cc1OC ZINC000872778198 1289376051 /nfs/dbraw/zinc/37/60/51/1289376051.db2.gz CVDLYMNTMLJZQW-IRXDYDNUSA-N 1 3 327.428 2.925 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4[C@@H]3CCC[N@H+]4C)c2cc1OC ZINC000872778198 1289376060 /nfs/dbraw/zinc/37/60/60/1289376060.db2.gz CVDLYMNTMLJZQW-IRXDYDNUSA-N 1 3 327.428 2.925 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1nc(C)cs1 ZINC001180121424 1289424930 /nfs/dbraw/zinc/42/49/30/1289424930.db2.gz OIEBBUJTTFRLMK-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180124198 1289426290 /nfs/dbraw/zinc/42/62/90/1289426290.db2.gz QMRPKULQTIOINB-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001180226728 1289450499 /nfs/dbraw/zinc/45/04/99/1289450499.db2.gz JDUAZUQJVHDBEY-WMZOPIPTSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1C ZINC001180226678 1289451384 /nfs/dbraw/zinc/45/13/84/1289451384.db2.gz GHRIJOJYCKQARJ-LPHOPBHVSA-N 1 3 349.494 2.678 20 0 EFADHO Cc1cc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)sn1 ZINC001180369541 1289515507 /nfs/dbraw/zinc/51/55/07/1289515507.db2.gz KZWHDVUJCNOINK-UHFFFAOYSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCOc1ccccc1 ZINC001180369624 1289515971 /nfs/dbraw/zinc/51/59/71/1289515971.db2.gz OVVYIXVXLCBETN-UHFFFAOYSA-N 1 3 349.519 2.672 20 0 EFADHO COc1ccc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)cc1 ZINC001180369619 1289516540 /nfs/dbraw/zinc/51/65/40/1289516540.db2.gz OFWLDTJARRORBJ-UHFFFAOYSA-N 1 3 349.519 2.802 20 0 EFADHO O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000873081143 1289557640 /nfs/dbraw/zinc/55/76/40/1289557640.db2.gz ZHQXLLCUUJZMAZ-WOJBJXKFSA-N 1 3 325.456 2.702 20 0 EFADHO O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000873081140 1289558652 /nfs/dbraw/zinc/55/86/52/1289558652.db2.gz ZHQXLLCUUJZMAZ-UXHICEINSA-N 1 3 325.456 2.702 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001166004326 1312717177 /nfs/dbraw/zinc/71/71/77/1312717177.db2.gz LLUKIWGOIQXUTE-CQSZACIVSA-N 1 3 331.913 2.584 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001166010002 1312717323 /nfs/dbraw/zinc/71/73/23/1312717323.db2.gz DXRXLETVPPNADH-AZUAARDMSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001166004276 1312717408 /nfs/dbraw/zinc/71/74/08/1312717408.db2.gz IKNSGFUMSUVDJB-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001166011161 1312717635 /nfs/dbraw/zinc/71/76/35/1312717635.db2.gz YQQLPVYBJDENMT-QGZVFWFLSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[C@H](C(=O)NCCCN[C@@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001166010621 1312718071 /nfs/dbraw/zinc/71/80/71/1312718071.db2.gz QQRMMTYWINEZSL-SUMWQHHRSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001166010043 1312718084 /nfs/dbraw/zinc/71/80/84/1312718084.db2.gz FQXPNSOHDIXMDQ-MRXNPFEDSA-N 1 3 341.446 2.806 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001166010881 1312718104 /nfs/dbraw/zinc/71/81/04/1312718104.db2.gz TUFAXWWNJAHICD-CXAGYDPISA-N 1 3 341.446 2.708 20 0 EFADHO C[C@@H](C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC001180583924 1289577581 /nfs/dbraw/zinc/57/75/81/1289577581.db2.gz HLRHCKDVUMNQFQ-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001180630158 1289588363 /nfs/dbraw/zinc/58/83/63/1289588363.db2.gz LLDJFJDZIURCCA-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001180630158 1289588368 /nfs/dbraw/zinc/58/83/68/1289588368.db2.gz LLDJFJDZIURCCA-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1cc2c(s1)CCNC2 ZINC000873212299 1289646545 /nfs/dbraw/zinc/64/65/45/1289646545.db2.gz YZKLGWQIUQFASA-UHFFFAOYSA-N 1 3 338.480 2.912 20 0 EFADHO NCc1cn(-c2cccc(C[NH2+]Cc3ccccc3C3CC3)c2)nn1 ZINC000873218336 1289651218 /nfs/dbraw/zinc/65/12/18/1289651218.db2.gz DAZVXOKIKVAJKA-UHFFFAOYSA-N 1 3 333.439 2.893 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329190 1312723614 /nfs/dbraw/zinc/72/36/14/1312723614.db2.gz KGEVGWFKLBNSFI-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329190 1312723617 /nfs/dbraw/zinc/72/36/17/1312723617.db2.gz KGEVGWFKLBNSFI-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001016333266 1312725717 /nfs/dbraw/zinc/72/57/17/1312725717.db2.gz VCVAVTBGFUKHJJ-KVWWFHCMSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001016333266 1312725720 /nfs/dbraw/zinc/72/57/20/1312725720.db2.gz VCVAVTBGFUKHJJ-KVWWFHCMSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@]1(C)C[NH2+]CCCF ZINC001181467912 1289798850 /nfs/dbraw/zinc/79/88/50/1289798850.db2.gz HZHQRYYBDCNNCV-VQIMIIECSA-N 1 3 341.515 2.685 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001181440318 1289807239 /nfs/dbraw/zinc/80/72/39/1289807239.db2.gz CYHTXPIJVATHLQ-RXKINRLTSA-N 1 3 341.927 2.686 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001181672589 1289898539 /nfs/dbraw/zinc/89/85/39/1289898539.db2.gz XYONAMUXYCKOML-CQJHEXMDSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CCCCCF ZINC001181745129 1289926737 /nfs/dbraw/zinc/92/67/37/1289926737.db2.gz CKOAOJJGVZGOPF-SJLPKXTDSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181754905 1289929680 /nfs/dbraw/zinc/92/96/80/1289929680.db2.gz HUFHQUKWSZPNNL-XFQXTVEOSA-N 1 3 335.536 2.591 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736741 1289938561 /nfs/dbraw/zinc/93/85/61/1289938561.db2.gz UTYPHNJJZJOQLM-OXQOHEQNSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001181884289 1289990009 /nfs/dbraw/zinc/99/00/09/1289990009.db2.gz DYMXDLPBAXSJQS-YVWKXTFCSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001181885295 1289990097 /nfs/dbraw/zinc/99/00/97/1289990097.db2.gz UOJMLKNYNRBBST-QGPMSJSTSA-N 1 3 337.533 2.663 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941733 1290006828 /nfs/dbraw/zinc/00/68/28/1290006828.db2.gz NFJATXMILYDVJL-IIDMSEBBSA-N 1 3 329.504 2.539 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001182516562 1290213356 /nfs/dbraw/zinc/21/33/56/1290213356.db2.gz JBCIJSDYKSYSNQ-YVWKXTFCSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CCC1CC1 ZINC001182623362 1290226723 /nfs/dbraw/zinc/22/67/23/1290226723.db2.gz KHBBDLRODPLSMP-OXQOHEQNSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001182637955 1290230304 /nfs/dbraw/zinc/23/03/04/1290230304.db2.gz SOEGGKICZOSZCN-SLYNCCJLSA-N 1 3 345.531 2.644 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001182637413 1290230650 /nfs/dbraw/zinc/23/06/50/1290230650.db2.gz DBPSTTOWBXBMRW-SLYNCCJLSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001182637445 1290230723 /nfs/dbraw/zinc/23/07/23/1290230723.db2.gz DYMXDLPBAXSJQS-IMFGXOCKSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2ccccc2)C1 ZINC001182924026 1290269636 /nfs/dbraw/zinc/26/96/36/1290269636.db2.gz CWFNHPPNIRUQBZ-WIYYLYMNSA-N 1 3 345.531 2.645 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001037129866 1290324688 /nfs/dbraw/zinc/32/46/88/1290324688.db2.gz FMAHZUJLSHXRNB-ROUUACIJSA-N 1 3 340.471 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001183517139 1290353714 /nfs/dbraw/zinc/35/37/14/1290353714.db2.gz QUNMUOKDPHIXQD-WSTZPKSXSA-N 1 3 335.536 2.901 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000874828525 1290378463 /nfs/dbraw/zinc/37/84/63/1290378463.db2.gz HKUBTGNONVBSCS-WOJBJXKFSA-N 1 3 341.499 2.981 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000874841234 1290388175 /nfs/dbraw/zinc/38/81/75/1290388175.db2.gz AQFXOQBJFMLZQS-MOPGFXCFSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841234 1290388184 /nfs/dbraw/zinc/38/81/84/1290388184.db2.gz AQFXOQBJFMLZQS-MOPGFXCFSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841234 1290388193 /nfs/dbraw/zinc/38/81/93/1290388193.db2.gz AQFXOQBJFMLZQS-MOPGFXCFSA-N 1 3 327.472 2.591 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000874844287 1290388982 /nfs/dbraw/zinc/38/89/82/1290388982.db2.gz REMZWXLSWLZKHJ-WOJBJXKFSA-N 1 3 341.499 2.594 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001183738163 1290389476 /nfs/dbraw/zinc/38/94/76/1290389476.db2.gz IUKOPUHLNVJBJZ-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001183738163 1290389487 /nfs/dbraw/zinc/38/94/87/1290389487.db2.gz IUKOPUHLNVJBJZ-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185168485 1290607411 /nfs/dbraw/zinc/60/74/11/1290607411.db2.gz HGGUDUILZREOFN-IAGOWNOFSA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185171250 1290608497 /nfs/dbraw/zinc/60/84/97/1290608497.db2.gz VADCMMIIDZBZNB-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]c2C)cs1 ZINC001037156395 1290609511 /nfs/dbraw/zinc/60/95/11/1290609511.db2.gz FRXFSACLRUZFSL-HOTGVXAUSA-N 1 3 346.500 2.705 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001185213386 1290622154 /nfs/dbraw/zinc/62/21/54/1290622154.db2.gz CYIXURNVYCGYFZ-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001185213390 1290622272 /nfs/dbraw/zinc/62/22/72/1290622272.db2.gz CYIXURNVYCGYFZ-WBVHZDCISA-N 1 3 332.492 2.607 20 0 EFADHO CC(C)Oc1ccccc1CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248437 1290627054 /nfs/dbraw/zinc/62/70/54/1290627054.db2.gz FPCAMZFBVLORQS-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCF)[C@H](C)C1 ZINC001185316391 1290646621 /nfs/dbraw/zinc/64/66/21/1290646621.db2.gz FCSFVJVIYPCPCU-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185361144 1290651545 /nfs/dbraw/zinc/65/15/45/1290651545.db2.gz VDVMJUUQAJUXLO-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001166627428 1312806531 /nfs/dbraw/zinc/80/65/31/1312806531.db2.gz VSFNBQRGYIEXCU-CPCLXONGSA-N 1 3 349.906 2.933 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)CC1 ZINC000875873224 1290692942 /nfs/dbraw/zinc/69/29/42/1290692942.db2.gz NUBBTKDJVIOGEK-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001185551071 1290705099 /nfs/dbraw/zinc/70/50/99/1290705099.db2.gz XKMUTWREBFWAHN-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185549723 1290705218 /nfs/dbraw/zinc/70/52/18/1290705218.db2.gz RTEORCBGDGLRKP-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001185551070 1290705357 /nfs/dbraw/zinc/70/53/57/1290705357.db2.gz XKMUTWREBFWAHN-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC001185546228 1290716984 /nfs/dbraw/zinc/71/69/84/1290716984.db2.gz BHYFMHKGRBLJGZ-IAGOWNOFSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185546186 1290717608 /nfs/dbraw/zinc/71/76/08/1290717608.db2.gz AOQMANLDPJZUFZ-ZWKOTPCHSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185546769 1290719014 /nfs/dbraw/zinc/71/90/14/1290719014.db2.gz CSVVTVMZJSRYHE-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C[NH2+]CCCF ZINC001185741286 1290755239 /nfs/dbraw/zinc/75/52/39/1290755239.db2.gz IOFWYWUTXWECOQ-APWZRJJASA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166633388 1312808270 /nfs/dbraw/zinc/80/82/70/1312808270.db2.gz FGRBZMFAWSPWNX-KRWDZBQOSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl ZINC001166634880 1312808301 /nfs/dbraw/zinc/80/83/01/1312808301.db2.gz XIULFKARRFFVKC-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cccc(Cl)c1 ZINC001166634506 1312808648 /nfs/dbraw/zinc/80/86/48/1312808648.db2.gz UZHANSTYCNIDBF-GJZGRUSLSA-N 1 3 337.895 2.981 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662126 1290787550 /nfs/dbraw/zinc/78/75/50/1290787550.db2.gz DCBFOUFIAFBUPX-FQXTVEGYSA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662126 1290787553 /nfs/dbraw/zinc/78/75/53/1290787553.db2.gz DCBFOUFIAFBUPX-FQXTVEGYSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@@H](NCCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1c(F)cccc1F ZINC001166645018 1312809781 /nfs/dbraw/zinc/80/97/81/1312809781.db2.gz LPHQMMZZAJNTIG-ZIAGYGMSSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H](NCCCNC(=O)C[N@H+]1CCC[C@H]1C)c1c(F)cccc1F ZINC001166645018 1312809785 /nfs/dbraw/zinc/80/97/85/1312809785.db2.gz LPHQMMZZAJNTIG-ZIAGYGMSSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1Cl ZINC001166646080 1312810406 /nfs/dbraw/zinc/81/04/06/1312810406.db2.gz XYKYNHJOOIQNBI-GJZGRUSLSA-N 1 3 337.895 2.981 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c(Cl)c1 ZINC001166626807 1312806718 /nfs/dbraw/zinc/80/67/18/1312806718.db2.gz JVRWHVPWHJVNLN-OAHLLOKOSA-N 1 3 337.895 2.729 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166627022 1312806908 /nfs/dbraw/zinc/80/69/08/1312806908.db2.gz OCOFPHJZRQHRSQ-GOSISDBHSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001166626979 1312807067 /nfs/dbraw/zinc/80/70/67/1312807067.db2.gz NIWZGJRDFLLJSR-CQSZACIVSA-N 1 3 339.430 2.704 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC001166627010 1312807087 /nfs/dbraw/zinc/80/70/87/1312807087.db2.gz NYYYIADJMYVDFF-KBPBESRZSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001166678417 1312816946 /nfs/dbraw/zinc/81/69/46/1312816946.db2.gz VBSMSEPUBGFICD-DNXKIMQPSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001166668173 1312814874 /nfs/dbraw/zinc/81/48/74/1312814874.db2.gz UHXMDGDCOOVSQF-GJZGRUSLSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001166667856 1312815158 /nfs/dbraw/zinc/81/51/58/1312815158.db2.gz JRERYOKKECNUTQ-QGZVFWFLSA-N 1 3 345.531 2.922 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001166676637 1312816479 /nfs/dbraw/zinc/81/64/79/1312816479.db2.gz ACUWIMMGOIBQQN-KSSFIOAISA-N 1 3 349.906 2.765 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1Cl ZINC001166677816 1312817122 /nfs/dbraw/zinc/81/71/22/1312817122.db2.gz NQDZWLWWUFNVQX-GJZGRUSLSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2cc3ccccc3s2)C1 ZINC001166676658 1312817320 /nfs/dbraw/zinc/81/73/20/1312817320.db2.gz AMUTVIBZWDCMFX-OAHLLOKOSA-N 1 3 345.512 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001166677356 1312817381 /nfs/dbraw/zinc/81/73/81/1312817381.db2.gz HWSMFKQBCDOCEP-ZENLRNHISA-N 1 3 349.906 2.791 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001166677224 1312817456 /nfs/dbraw/zinc/81/74/56/1312817456.db2.gz HNCMXPRCVSVKER-MAUKXSAKSA-N 1 3 335.467 2.715 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001166678920 1312818093 /nfs/dbraw/zinc/81/80/93/1312818093.db2.gz ZGHSCNLJVTXAIA-SFHVURJKSA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CCCC2CCC2)C1 ZINC001166687561 1312820380 /nfs/dbraw/zinc/82/03/80/1312820380.db2.gz WGTISHJHMIVYDO-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C)CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687297 1312820621 /nfs/dbraw/zinc/82/06/21/1312820621.db2.gz MELYCBDGIVZWTC-GOSISDBHSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687471 1312820631 /nfs/dbraw/zinc/82/06/31/1312820631.db2.gz SLVWQYYYUPPYJW-LPHOPBHVSA-N 1 3 343.531 2.977 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]Cc2ccsc2)C1 ZINC001166687725 1312820688 /nfs/dbraw/zinc/82/06/88/1312820688.db2.gz YASGFNCBGIYITC-KRWDZBQOSA-N 1 3 341.496 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001186489107 1290964466 /nfs/dbraw/zinc/96/44/66/1290964466.db2.gz VZPZWGWTTMHGSG-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1c(Cl)cccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000876646564 1290964803 /nfs/dbraw/zinc/96/48/03/1290964803.db2.gz WFVPAUWTLVRCFC-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001186598235 1290997491 /nfs/dbraw/zinc/99/74/91/1290997491.db2.gz RWALBNQVNZRMQQ-KRWDZBQOSA-N 1 3 341.515 2.638 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CC[C@@H](CN(C)CC)C2)CC1 ZINC000876782988 1291022816 /nfs/dbraw/zinc/02/28/16/1291022816.db2.gz SVJABMFLUGAWJC-INIZCTEOSA-N 1 3 325.497 2.519 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CC[C@@H](CN(C)CC)C2)CC1 ZINC000876782988 1291022825 /nfs/dbraw/zinc/02/28/25/1291022825.db2.gz SVJABMFLUGAWJC-INIZCTEOSA-N 1 3 325.497 2.519 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001186824665 1291024418 /nfs/dbraw/zinc/02/44/18/1291024418.db2.gz FCSMGILXMGTUDR-GOSISDBHSA-N 1 3 346.519 2.546 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001186824665 1291024429 /nfs/dbraw/zinc/02/44/29/1291024429.db2.gz FCSMGILXMGTUDR-GOSISDBHSA-N 1 3 346.519 2.546 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186975299 1291066595 /nfs/dbraw/zinc/06/65/95/1291066595.db2.gz KSOVUNSEMZSUSR-HKFHSAMXSA-N 1 3 327.900 2.584 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186975299 1291066603 /nfs/dbraw/zinc/06/66/03/1291066603.db2.gz KSOVUNSEMZSUSR-HKFHSAMXSA-N 1 3 327.900 2.584 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(F)c1F)CC(C)(C)C ZINC001166744036 1312832434 /nfs/dbraw/zinc/83/24/34/1312832434.db2.gz DQURKBUHVNBNSV-UHFFFAOYSA-N 1 3 341.446 2.539 20 0 EFADHO CCc1cccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166759343 1312837470 /nfs/dbraw/zinc/83/74/70/1312837470.db2.gz SBVWSQFEUXMJTL-UHFFFAOYSA-N 1 3 331.504 2.577 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744143 1312833047 /nfs/dbraw/zinc/83/30/47/1312833047.db2.gz JQGHXRZPYPUNFG-UHFFFAOYSA-N 1 3 337.483 2.708 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F)CC(C)(C)C ZINC001166744170 1312833151 /nfs/dbraw/zinc/83/31/51/1312833151.db2.gz KYFKCIRBTRUHHM-HNNXBMFYSA-N 1 3 347.494 2.886 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001166744383 1312833538 /nfs/dbraw/zinc/83/35/38/1312833538.db2.gz UHBGFKNVWIBQJO-UHFFFAOYSA-N 1 3 333.520 2.877 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001187232235 1291126364 /nfs/dbraw/zinc/12/63/64/1291126364.db2.gz XQBVDZXONAVTGZ-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877076796 1291126574 /nfs/dbraw/zinc/12/65/74/1291126574.db2.gz QXGDLPWOQKXXGA-OAHLLOKOSA-N 1 3 343.298 2.927 20 0 EFADHO OC1CC[NH+](Cc2ccccc2CNC[C@H]2CC2(Cl)Cl)CC1 ZINC000877076796 1291126578 /nfs/dbraw/zinc/12/65/78/1291126578.db2.gz QXGDLPWOQKXXGA-OAHLLOKOSA-N 1 3 343.298 2.927 20 0 EFADHO c1nc(CNC2CCC([NH+]3CCCCC3)CC2)cc2c1OCCO2 ZINC000877076453 1291127071 /nfs/dbraw/zinc/12/70/71/1291127071.db2.gz MTRSTPLXBPHHJZ-UHFFFAOYSA-N 1 3 331.460 2.740 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130344 1291138982 /nfs/dbraw/zinc/13/89/82/1291138982.db2.gz LDMDFZRMNUYOAQ-IAQYHMDHSA-N 1 3 343.393 2.565 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001187321503 1291144598 /nfs/dbraw/zinc/14/45/98/1291144598.db2.gz BAHUNLSFUSQVAP-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001187323064 1291144700 /nfs/dbraw/zinc/14/47/00/1291144700.db2.gz WMEGYVHJWFRWJF-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)CCC)C2)cc1 ZINC001187322138 1291144760 /nfs/dbraw/zinc/14/47/60/1291144760.db2.gz LAQYARDGBGNLOZ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1ccccc1F ZINC001166751529 1312835070 /nfs/dbraw/zinc/83/50/70/1312835070.db2.gz UWQPMSLWJOQXQL-HNNXBMFYSA-N 1 3 337.483 2.961 20 0 EFADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000877191393 1291160691 /nfs/dbraw/zinc/16/06/91/1291160691.db2.gz SJSKYKZGCNNIQA-QGZVFWFLSA-N 1 3 345.874 2.779 20 0 EFADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000877191393 1291160695 /nfs/dbraw/zinc/16/06/95/1291160695.db2.gz SJSKYKZGCNNIQA-QGZVFWFLSA-N 1 3 345.874 2.779 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000877199975 1291164024 /nfs/dbraw/zinc/16/40/24/1291164024.db2.gz CZLVIFVEPMXNQP-IBGZPJMESA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000877199976 1291164124 /nfs/dbraw/zinc/16/41/24/1291164124.db2.gz CZLVIFVEPMXNQP-LJQANCHMSA-N 1 3 329.488 2.500 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001166764907 1312838516 /nfs/dbraw/zinc/83/85/16/1312838516.db2.gz NUBAWGKTZVGIQE-SFHVURJKSA-N 1 3 329.488 2.502 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764400 1312837658 /nfs/dbraw/zinc/83/76/58/1312837658.db2.gz AWAHMOZNVNGDTI-KRWDZBQOSA-N 1 3 331.504 2.884 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532565 1291263248 /nfs/dbraw/zinc/26/32/48/1291263248.db2.gz VPDWDJFQFJOHPU-VQTJNVASSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532565 1291263259 /nfs/dbraw/zinc/26/32/59/1291263259.db2.gz VPDWDJFQFJOHPU-VQTJNVASSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532568 1291263618 /nfs/dbraw/zinc/26/36/18/1291263618.db2.gz VPDWDJFQFJOHPU-WOJBJXKFSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532568 1291263619 /nfs/dbraw/zinc/26/36/19/1291263619.db2.gz VPDWDJFQFJOHPU-WOJBJXKFSA-N 1 3 341.499 2.839 20 0 EFADHO CN(C)C(=O)c1ccccc1CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000877684364 1291325989 /nfs/dbraw/zinc/32/59/89/1291325989.db2.gz NQHRJNGVTQGUCV-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001188158031 1291333361 /nfs/dbraw/zinc/33/33/61/1291333361.db2.gz DQNKRSWRIDAVQP-PYTPGESOSA-N 1 3 349.906 2.884 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001188158400 1291334928 /nfs/dbraw/zinc/33/49/28/1291334928.db2.gz NFQXQOKPQLDVJT-MRXNPFEDSA-N 1 3 345.512 2.932 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000957324644 1291385015 /nfs/dbraw/zinc/38/50/15/1291385015.db2.gz BIKOUIIEHRROIW-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000957324645 1291385770 /nfs/dbraw/zinc/38/57/70/1291385770.db2.gz BIKOUIIEHRROIW-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CCCOc1ccc(C)c(C)c1)N(C)C ZINC001166852657 1312853940 /nfs/dbraw/zinc/85/39/40/1312853940.db2.gz UOKZWASWSVBJPT-IBGZPJMESA-N 1 3 349.519 2.508 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001166857608 1312854820 /nfs/dbraw/zinc/85/48/20/1312854820.db2.gz FCKBVHCQGDEZHJ-IBGZPJMESA-N 1 3 327.472 2.776 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001166866775 1312856579 /nfs/dbraw/zinc/85/65/79/1312856579.db2.gz UGJTUIPQWFBDAN-MJGOQNOKSA-N 1 3 331.504 2.543 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054270 1291563558 /nfs/dbraw/zinc/56/35/58/1291563558.db2.gz BKLHKUUSSVPLSL-QXAKKESOSA-N 1 3 347.478 2.761 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957559137 1291764000 /nfs/dbraw/zinc/76/40/00/1291764000.db2.gz CYQPUQNIIUOTAW-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)C1CC1 ZINC000957559437 1291765041 /nfs/dbraw/zinc/76/50/41/1291765041.db2.gz IWWUNHUKERKAFD-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC2)CC[NH+](CCC2CC2)CC3)CCC1 ZINC000957560430 1291766866 /nfs/dbraw/zinc/76/68/66/1291766866.db2.gz ZQNIOSJSXIYWCU-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CCCN1CCCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000878747841 1291772807 /nfs/dbraw/zinc/77/28/07/1291772807.db2.gz OWRLISRYIWXCOW-UHFFFAOYSA-N 1 3 348.491 2.851 20 0 EFADHO CN(CCC[N@@H+]1CCCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000878747841 1291772811 /nfs/dbraw/zinc/77/28/11/1291772811.db2.gz OWRLISRYIWXCOW-UHFFFAOYSA-N 1 3 348.491 2.851 20 0 EFADHO CN(CCC[N@H+]1CCCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000878747841 1291772816 /nfs/dbraw/zinc/77/28/16/1291772816.db2.gz OWRLISRYIWXCOW-UHFFFAOYSA-N 1 3 348.491 2.851 20 0 EFADHO c1cc(N2CCC[N@@H+](CC3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000878747348 1291773277 /nfs/dbraw/zinc/77/32/77/1291773277.db2.gz JYCOIJZQEXHFQL-UHFFFAOYSA-N 1 3 331.460 2.527 20 0 EFADHO c1cc(N2CCC[N@H+](CC3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000878747348 1291773282 /nfs/dbraw/zinc/77/32/82/1291773282.db2.gz JYCOIJZQEXHFQL-UHFFFAOYSA-N 1 3 331.460 2.527 20 0 EFADHO C[NH+](C)CCNC(=O)C1CCN([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795947857 1291786773 /nfs/dbraw/zinc/78/67/73/1291786773.db2.gz FRPNWRVRNKSJFR-GOSISDBHSA-N 1 3 349.906 2.717 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016615501 1312882854 /nfs/dbraw/zinc/88/28/54/1312882854.db2.gz WFBBKAHLJGYPSO-DUIXZTDISA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614410 1312882113 /nfs/dbraw/zinc/88/21/13/1312882113.db2.gz OIGMHRYKIOAPKT-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614411 1312882287 /nfs/dbraw/zinc/88/22/87/1312882287.db2.gz OIGMHRYKIOAPKT-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016615501 1312882851 /nfs/dbraw/zinc/88/28/51/1312882851.db2.gz WFBBKAHLJGYPSO-DUIXZTDISA-N 1 3 339.911 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957603340 1291855120 /nfs/dbraw/zinc/85/51/20/1291855120.db2.gz QILGZMKHONEHQZ-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605928 1291860454 /nfs/dbraw/zinc/86/04/54/1291860454.db2.gz QFPKTPDMTGVVLI-LJQANCHMSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC2)CC[NH+](CCC2CC2)CC3)C1 ZINC000957606099 1291861242 /nfs/dbraw/zinc/86/12/42/1291861242.db2.gz ZFLJJPTWFXFLIJ-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049463772 1312889047 /nfs/dbraw/zinc/88/90/47/1312889047.db2.gz JDYBBQPCEZFATR-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049463772 1312889051 /nfs/dbraw/zinc/88/90/51/1312889051.db2.gz JDYBBQPCEZFATR-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465082 1312889224 /nfs/dbraw/zinc/88/92/24/1312889224.db2.gz PUTORHGBSCWQFJ-OTWHNJEPSA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465082 1312889229 /nfs/dbraw/zinc/88/92/29/1312889229.db2.gz PUTORHGBSCWQFJ-OTWHNJEPSA-N 1 3 333.520 2.891 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000957644759 1291953388 /nfs/dbraw/zinc/95/33/88/1291953388.db2.gz HARAUEVXNCUVOO-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2 ZINC000957645016 1291954624 /nfs/dbraw/zinc/95/46/24/1291954624.db2.gz RNXMFVXXJBGBJR-FPYGCLRLSA-N 1 3 339.911 2.539 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957647537 1291959871 /nfs/dbraw/zinc/95/98/71/1291959871.db2.gz LUJFVUOQJOAXJF-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114795143 1292027593 /nfs/dbraw/zinc/02/75/93/1292027593.db2.gz WSPVRKVNUKSYKL-FUMNGEBKSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114795143 1292027602 /nfs/dbraw/zinc/02/76/02/1292027602.db2.gz WSPVRKVNUKSYKL-FUMNGEBKSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248471 1292041522 /nfs/dbraw/zinc/04/15/22/1292041522.db2.gz SPNAXUILHDLAKE-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248056 1292041592 /nfs/dbraw/zinc/04/15/92/1292041592.db2.gz ZUUFHGWIEDVTGE-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+]1CCC2(CCN([C@H]3CCCN(CC(C)(C)C)C3=O)CC2)CC1 ZINC000879249813 1292043054 /nfs/dbraw/zinc/04/30/54/1292043054.db2.gz CANYTZJOJBIVAS-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690220 1292068794 /nfs/dbraw/zinc/06/87/94/1292068794.db2.gz JTLQAKQSTDMAEE-KVZIAJEVSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690220 1292068800 /nfs/dbraw/zinc/06/88/00/1292068800.db2.gz JTLQAKQSTDMAEE-KVZIAJEVSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720683 1292130417 /nfs/dbraw/zinc/13/04/17/1292130417.db2.gz UUGSZLLAJXSJMJ-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720683 1292130421 /nfs/dbraw/zinc/13/04/21/1292130421.db2.gz UUGSZLLAJXSJMJ-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720684 1292130586 /nfs/dbraw/zinc/13/05/86/1292130586.db2.gz UUGSZLLAJXSJMJ-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720684 1292130589 /nfs/dbraw/zinc/13/05/89/1292130589.db2.gz UUGSZLLAJXSJMJ-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000957724370 1292135706 /nfs/dbraw/zinc/13/57/06/1292135706.db2.gz YJMRFTACPBBNLM-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000957724370 1292135707 /nfs/dbraw/zinc/13/57/07/1292135707.db2.gz YJMRFTACPBBNLM-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049477761 1312905438 /nfs/dbraw/zinc/90/54/38/1312905438.db2.gz IZWJUTRHMFHBMX-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049477761 1312905442 /nfs/dbraw/zinc/90/54/42/1312905442.db2.gz IZWJUTRHMFHBMX-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C[C@@H](C)O1 ZINC000775380447 1292161319 /nfs/dbraw/zinc/16/13/19/1292161319.db2.gz IQDXGRVSBZQJIF-OVYGPGRDSA-N 1 3 344.590 2.845 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000957750148 1292184012 /nfs/dbraw/zinc/18/40/12/1292184012.db2.gz YJMRFTACPBBNLM-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000957750148 1292184015 /nfs/dbraw/zinc/18/40/15/1292184015.db2.gz YJMRFTACPBBNLM-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@H+](CC1CCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776845 1292229899 /nfs/dbraw/zinc/22/98/99/1292229899.db2.gz XJVWQDMFYHSZGM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776845 1292229909 /nfs/dbraw/zinc/22/99/09/1292229909.db2.gz XJVWQDMFYHSZGM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776636 1292230171 /nfs/dbraw/zinc/23/01/71/1292230171.db2.gz QZDHJFLRRQUUGP-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776636 1292230185 /nfs/dbraw/zinc/23/01/85/1292230185.db2.gz QZDHJFLRRQUUGP-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655849 1292268671 /nfs/dbraw/zinc/26/86/71/1292268671.db2.gz QLBPBHJVSXXVPK-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655849 1292268675 /nfs/dbraw/zinc/26/86/75/1292268675.db2.gz QLBPBHJVSXXVPK-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049487276 1312915078 /nfs/dbraw/zinc/91/50/78/1312915078.db2.gz SOSIHYLCMIPKNV-NRSFXHEJSA-N 1 3 347.528 2.654 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049487276 1312915079 /nfs/dbraw/zinc/91/50/79/1312915079.db2.gz SOSIHYLCMIPKNV-NRSFXHEJSA-N 1 3 347.528 2.654 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2C)C1)N(C)C ZINC001190897992 1292370134 /nfs/dbraw/zinc/37/01/34/1292370134.db2.gz AKHSFTBYMQHMNG-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)C1)N(C)C ZINC001190897992 1292370142 /nfs/dbraw/zinc/37/01/42/1292370142.db2.gz AKHSFTBYMQHMNG-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)CC(C)(C)C ZINC001203426630 1312921646 /nfs/dbraw/zinc/92/16/46/1312921646.db2.gz NWPAGDXLOXWLTA-DLBZAZTESA-N 1 3 335.536 2.781 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001191020084 1292428214 /nfs/dbraw/zinc/42/82/14/1292428214.db2.gz SETUBFOYCLXCMZ-SFHVURJKSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001191020084 1292428216 /nfs/dbraw/zinc/42/82/16/1292428216.db2.gz SETUBFOYCLXCMZ-SFHVURJKSA-N 1 3 349.494 2.897 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001203443609 1312925786 /nfs/dbraw/zinc/92/57/86/1312925786.db2.gz XHWLHQXAODSWBT-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049502078 1312934022 /nfs/dbraw/zinc/93/40/22/1312934022.db2.gz BAZBJVRLBTUJCX-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)C ZINC001049502078 1312934025 /nfs/dbraw/zinc/93/40/25/1312934025.db2.gz BAZBJVRLBTUJCX-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203522751 1312945427 /nfs/dbraw/zinc/94/54/27/1312945427.db2.gz OCXJSPSNIRUJKQ-SJORKVTESA-N 1 3 349.544 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203522810 1312945471 /nfs/dbraw/zinc/94/54/71/1312945471.db2.gz OTWQMBUIBPILIM-RTBURBONSA-N 1 3 343.515 2.588 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203522804 1312945623 /nfs/dbraw/zinc/94/56/23/1312945623.db2.gz OTWQMBUIBPILIM-OALUTQOASA-N 1 3 343.515 2.588 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203524545 1312945969 /nfs/dbraw/zinc/94/59/69/1312945969.db2.gz WRRYWJXKKHVNBY-JKSUJKDBSA-N 1 3 335.517 2.607 20 0 EFADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276323023 1292753264 /nfs/dbraw/zinc/75/32/64/1292753264.db2.gz JDFCRTOYDYSDGH-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncsc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276323023 1292753271 /nfs/dbraw/zinc/75/32/71/1292753271.db2.gz JDFCRTOYDYSDGH-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001192029311 1292753376 /nfs/dbraw/zinc/75/33/76/1292753376.db2.gz JWXBGZKZWRZKPP-QGZVFWFLSA-N 1 3 349.544 2.739 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192038408 1292757704 /nfs/dbraw/zinc/75/77/04/1292757704.db2.gz PSDVAGUYUOUFIA-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)cs1 ZINC001114839914 1292799238 /nfs/dbraw/zinc/79/92/38/1292799238.db2.gz GRVHRNFAUMSICW-VQFNDLOPSA-N 1 3 349.544 2.581 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)cs1 ZINC001114839914 1292799245 /nfs/dbraw/zinc/79/92/45/1292799245.db2.gz GRVHRNFAUMSICW-VQFNDLOPSA-N 1 3 349.544 2.581 20 0 EFADHO CN(Cc1ccc(C(F)F)cc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169883 1292805067 /nfs/dbraw/zinc/80/50/67/1292805067.db2.gz FCNMTZQJEDHTNV-MRXNPFEDSA-N 1 3 339.430 2.609 20 0 EFADHO CN(Cc1cccc(C(F)F)c1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169873 1292805236 /nfs/dbraw/zinc/80/52/36/1292805236.db2.gz DOBGCNMXBIYLJJ-MRXNPFEDSA-N 1 3 339.430 2.609 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192343486 1292875453 /nfs/dbraw/zinc/87/54/53/1292875453.db2.gz PMINYICAIMUYGM-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192343486 1292875472 /nfs/dbraw/zinc/87/54/72/1292875472.db2.gz PMINYICAIMUYGM-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001192387187 1292886033 /nfs/dbraw/zinc/88/60/33/1292886033.db2.gz VLXICUHXPWGVDP-KJJSRWKFSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001192387187 1292886047 /nfs/dbraw/zinc/88/60/47/1292886047.db2.gz VLXICUHXPWGVDP-KJJSRWKFSA-N 1 3 329.488 2.573 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1)CC(C)(C)C ZINC001192407945 1292895081 /nfs/dbraw/zinc/89/50/81/1292895081.db2.gz ZHELMJWLYHTEJI-MRXNPFEDSA-N 1 3 329.504 2.637 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1)CC(C)(C)C ZINC001192407945 1292895096 /nfs/dbraw/zinc/89/50/96/1292895096.db2.gz ZHELMJWLYHTEJI-MRXNPFEDSA-N 1 3 329.504 2.637 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203652318 1312981930 /nfs/dbraw/zinc/98/19/30/1312981930.db2.gz TXVRXZTYCLEUAU-SJORKVTESA-N 1 3 335.536 2.781 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001192947688 1293108929 /nfs/dbraw/zinc/10/89/29/1293108929.db2.gz KFKUZJGDGAGTIJ-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001192947688 1293108933 /nfs/dbraw/zinc/10/89/33/1293108933.db2.gz KFKUZJGDGAGTIJ-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001192969359 1293125542 /nfs/dbraw/zinc/12/55/42/1293125542.db2.gz IJPOJXAHIWSYJG-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001192969359 1293125548 /nfs/dbraw/zinc/12/55/48/1293125548.db2.gz IJPOJXAHIWSYJG-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001192969051 1293126144 /nfs/dbraw/zinc/12/61/44/1293126144.db2.gz GGGGASRGFFBENB-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001192969051 1293126151 /nfs/dbraw/zinc/12/61/51/1293126151.db2.gz GGGGASRGFFBENB-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001192968679 1293126200 /nfs/dbraw/zinc/12/62/00/1293126200.db2.gz ASWAQOYZUFUXQA-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001192968679 1293126206 /nfs/dbraw/zinc/12/62/06/1293126206.db2.gz ASWAQOYZUFUXQA-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001192969463 1293127113 /nfs/dbraw/zinc/12/71/13/1293127113.db2.gz KKTRFNUPDYUUFQ-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001192969463 1293127116 /nfs/dbraw/zinc/12/71/16/1293127116.db2.gz KKTRFNUPDYUUFQ-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001192970726 1293127285 /nfs/dbraw/zinc/12/72/85/1293127285.db2.gz YEFGFEFCCZCAKA-SFHVURJKSA-N 1 3 342.487 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001192970726 1293127290 /nfs/dbraw/zinc/12/72/90/1293127290.db2.gz YEFGFEFCCZCAKA-SFHVURJKSA-N 1 3 342.487 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001192970779 1293129075 /nfs/dbraw/zinc/12/90/75/1293129075.db2.gz YWXKMFWZQFGFSO-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001192970779 1293129079 /nfs/dbraw/zinc/12/90/79/1293129079.db2.gz YWXKMFWZQFGFSO-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203642171 1312979017 /nfs/dbraw/zinc/97/90/17/1312979017.db2.gz WSEIGWYREAZPPQ-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203650311 1312980639 /nfs/dbraw/zinc/98/06/39/1312980639.db2.gz GGTAEFCQCABNAI-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203651198 1312981336 /nfs/dbraw/zinc/98/13/36/1312981336.db2.gz MEHBLGJYBMUUKN-SJORKVTESA-N 1 3 349.544 2.649 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203659424 1312983023 /nfs/dbraw/zinc/98/30/23/1312983023.db2.gz HLNUCRFSNRPTQD-ROUUACIJSA-N 1 3 344.503 2.858 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193291978 1293238110 /nfs/dbraw/zinc/23/81/10/1293238110.db2.gz KTLYJPXVVPDFFU-POGDKVGISA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193291978 1293238116 /nfs/dbraw/zinc/23/81/16/1293238116.db2.gz KTLYJPXVVPDFFU-POGDKVGISA-N 1 3 329.488 2.574 20 0 EFADHO Cc1cncc(Br)c1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205636619 1293341457 /nfs/dbraw/zinc/34/14/57/1293341457.db2.gz DVBDICCUAJDNFR-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1c(Br)cncc1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205637906 1293359197 /nfs/dbraw/zinc/35/91/97/1293359197.db2.gz JVLKRIJVXNUDEC-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558986 1293360121 /nfs/dbraw/zinc/36/01/21/1293360121.db2.gz GJGLKZBSBWZLNK-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001193621501 1293370794 /nfs/dbraw/zinc/37/07/94/1293370794.db2.gz FYVOPGBJRXLCNX-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001193621501 1293370804 /nfs/dbraw/zinc/37/08/04/1293370804.db2.gz FYVOPGBJRXLCNX-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001193621544 1293371256 /nfs/dbraw/zinc/37/12/56/1293371256.db2.gz HALAWBHQUBUPRT-UFUQCMIWSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001193621544 1293371264 /nfs/dbraw/zinc/37/12/64/1293371264.db2.gz HALAWBHQUBUPRT-UFUQCMIWSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC001193622997 1293372807 /nfs/dbraw/zinc/37/28/07/1293372807.db2.gz VMFUGLMACQCVKA-KRWDZBQOSA-N 1 3 343.471 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC001193622997 1293372812 /nfs/dbraw/zinc/37/28/12/1293372812.db2.gz VMFUGLMACQCVKA-KRWDZBQOSA-N 1 3 343.471 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001193642051 1293380563 /nfs/dbraw/zinc/38/05/63/1293380563.db2.gz KXVZSHIVQPQAQR-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001193642051 1293380570 /nfs/dbraw/zinc/38/05/70/1293380570.db2.gz KXVZSHIVQPQAQR-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193642955 1293380604 /nfs/dbraw/zinc/38/06/04/1293380604.db2.gz OUKOBJOPNGEDNO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193642955 1293380611 /nfs/dbraw/zinc/38/06/11/1293380611.db2.gz OUKOBJOPNGEDNO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001193642409 1293380789 /nfs/dbraw/zinc/38/07/89/1293380789.db2.gz NRSQCKAXLTWRJG-AEFFLSMTSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001193642409 1293380794 /nfs/dbraw/zinc/38/07/94/1293380794.db2.gz NRSQCKAXLTWRJG-AEFFLSMTSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001193642056 1293380907 /nfs/dbraw/zinc/38/09/07/1293380907.db2.gz KZIBFYKOGXVVCV-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001193642056 1293380917 /nfs/dbraw/zinc/38/09/17/1293380917.db2.gz KZIBFYKOGXVVCV-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193642349 1293381300 /nfs/dbraw/zinc/38/13/00/1293381300.db2.gz MQPQZKAPVIOZKA-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193642349 1293381308 /nfs/dbraw/zinc/38/13/08/1293381308.db2.gz MQPQZKAPVIOZKA-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001193642023 1293381565 /nfs/dbraw/zinc/38/15/65/1293381565.db2.gz KRPUMOQVZNDJAN-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001193642023 1293381574 /nfs/dbraw/zinc/38/15/74/1293381574.db2.gz KRPUMOQVZNDJAN-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001193642021 1293383150 /nfs/dbraw/zinc/38/31/50/1293383150.db2.gz KRPUMOQVZNDJAN-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001193642021 1293383159 /nfs/dbraw/zinc/38/31/59/1293383159.db2.gz KRPUMOQVZNDJAN-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193600517 1293388583 /nfs/dbraw/zinc/38/85/83/1293388583.db2.gz FOKJJHMYOABACY-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193600517 1293388592 /nfs/dbraw/zinc/38/85/92/1293388592.db2.gz FOKJJHMYOABACY-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001193600808 1293388858 /nfs/dbraw/zinc/38/88/58/1293388858.db2.gz MCSKTCRXFOLHLJ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001193600808 1293388873 /nfs/dbraw/zinc/38/88/73/1293388873.db2.gz MCSKTCRXFOLHLJ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC001016828023 1313000165 /nfs/dbraw/zinc/00/01/65/1313000165.db2.gz BUAKUVGDBZABSF-NVXWUHKLSA-N 1 3 347.528 2.703 20 0 EFADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229437 1293549582 /nfs/dbraw/zinc/54/95/82/1293549582.db2.gz XIVKHFMYXSNLCN-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229437 1293549586 /nfs/dbraw/zinc/54/95/86/1293549586.db2.gz XIVKHFMYXSNLCN-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246302 1293569515 /nfs/dbraw/zinc/56/95/15/1293569515.db2.gz KUAXGWNODMXRIO-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246302 1293569520 /nfs/dbraw/zinc/56/95/20/1293569520.db2.gz KUAXGWNODMXRIO-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001194265858 1293574397 /nfs/dbraw/zinc/57/43/97/1293574397.db2.gz HINOKWBNKIOMLQ-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001194265858 1293574404 /nfs/dbraw/zinc/57/44/04/1293574404.db2.gz HINOKWBNKIOMLQ-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194266660 1293575877 /nfs/dbraw/zinc/57/58/77/1293575877.db2.gz XSKAKIYTRCXZTL-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194266660 1293575879 /nfs/dbraw/zinc/57/58/79/1293575879.db2.gz XSKAKIYTRCXZTL-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCF)C23CCC3)c1 ZINC001203773326 1313011792 /nfs/dbraw/zinc/01/17/92/1313011792.db2.gz VLOSSUZECJEZGU-ROUUACIJSA-N 1 3 347.478 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001194283437 1293587161 /nfs/dbraw/zinc/58/71/61/1293587161.db2.gz ARHZFVCWRZOIRL-SFHVURJKSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001194283437 1293587165 /nfs/dbraw/zinc/58/71/65/1293587165.db2.gz ARHZFVCWRZOIRL-SFHVURJKSA-N 1 3 335.467 2.529 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285172 1293588099 /nfs/dbraw/zinc/58/80/99/1293588099.db2.gz QQUDMQNFYNENDA-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285172 1293588103 /nfs/dbraw/zinc/58/81/03/1293588103.db2.gz QQUDMQNFYNENDA-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001194295007 1293591548 /nfs/dbraw/zinc/59/15/48/1293591548.db2.gz OBNHIXDCLNASFU-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001194295007 1293591551 /nfs/dbraw/zinc/59/15/51/1293591551.db2.gz OBNHIXDCLNASFU-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295121 1293591668 /nfs/dbraw/zinc/59/16/68/1293591668.db2.gz PBFXFSGUVDJNSJ-MJGOQNOKSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295121 1293591675 /nfs/dbraw/zinc/59/16/75/1293591675.db2.gz PBFXFSGUVDJNSJ-MJGOQNOKSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295120 1293592707 /nfs/dbraw/zinc/59/27/07/1293592707.db2.gz PBFXFSGUVDJNSJ-IEBWSBKVSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295120 1293592714 /nfs/dbraw/zinc/59/27/14/1293592714.db2.gz PBFXFSGUVDJNSJ-IEBWSBKVSA-N 1 3 331.504 2.929 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296269 1293593768 /nfs/dbraw/zinc/59/37/68/1293593768.db2.gz YVLPPHOXSRGVAX-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296269 1293593769 /nfs/dbraw/zinc/59/37/69/1293593769.db2.gz YVLPPHOXSRGVAX-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001194296019 1293593956 /nfs/dbraw/zinc/59/39/56/1293593956.db2.gz UOWCBLJHQITWJW-GPVYEGESSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001194296019 1293593962 /nfs/dbraw/zinc/59/39/62/1293593962.db2.gz UOWCBLJHQITWJW-GPVYEGESSA-N 1 3 343.515 2.963 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276420322 1313013527 /nfs/dbraw/zinc/01/35/27/1313013527.db2.gz DEUWTMFIUIVZSK-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276420322 1313013529 /nfs/dbraw/zinc/01/35/29/1313013529.db2.gz DEUWTMFIUIVZSK-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203791806 1313016173 /nfs/dbraw/zinc/01/61/73/1313016173.db2.gz LLKLZJVBGBHEKO-ZWKOTPCHSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203791436 1313016392 /nfs/dbraw/zinc/01/63/92/1313016392.db2.gz IOVIUDWSEVJEPE-MSOLQXFVSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203791348 1313016472 /nfs/dbraw/zinc/01/64/72/1313016472.db2.gz HRIIBCRBRHYQGT-QZTJIDSGSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)cs1 ZINC001203793774 1313017975 /nfs/dbraw/zinc/01/79/75/1313017975.db2.gz UDRMJPPEUSFROX-SJORKVTESA-N 1 3 349.544 2.914 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203794766 1313018003 /nfs/dbraw/zinc/01/80/03/1313018003.db2.gz YGFUFHSKCIMNJS-ROUUACIJSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000884218704 1294053239 /nfs/dbraw/zinc/05/32/39/1294053239.db2.gz WMUVEIDUTWGHTP-ATZDWAIDSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000884218704 1294053246 /nfs/dbraw/zinc/05/32/46/1294053246.db2.gz WMUVEIDUTWGHTP-ATZDWAIDSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)CC2CC2)CCCC1)c1ccccc1 ZINC000884219495 1294053749 /nfs/dbraw/zinc/05/37/49/1294053749.db2.gz QNYUGYOVWPTJQI-CRAIPNDOSA-N 1 3 329.488 2.894 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866072 1294064398 /nfs/dbraw/zinc/06/43/98/1294064398.db2.gz UQOHISIXCCDBNJ-QVOQXLMASA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195866072 1294064403 /nfs/dbraw/zinc/06/44/03/1294064403.db2.gz UQOHISIXCCDBNJ-QVOQXLMASA-N 1 3 333.520 2.751 20 0 EFADHO CCc1ccccc1CC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924908 1313048590 /nfs/dbraw/zinc/04/85/90/1313048590.db2.gz HABGMNNRSIEOGB-UHFFFAOYSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000884324794 1294098483 /nfs/dbraw/zinc/09/84/83/1294098483.db2.gz ACRSPEQHQUMEKL-CRAIPNDOSA-N 1 3 346.519 2.733 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000884329509 1294100164 /nfs/dbraw/zinc/10/01/64/1294100164.db2.gz OBOURONTAPOJQD-AYOQOUSVSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000884329509 1294100166 /nfs/dbraw/zinc/10/01/66/1294100166.db2.gz OBOURONTAPOJQD-AYOQOUSVSA-N 1 3 329.488 2.531 20 0 EFADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196025630 1294109743 /nfs/dbraw/zinc/10/97/43/1294109743.db2.gz RCXYYUDDLPFBFZ-OZSKJFCKSA-N 1 3 327.488 2.557 20 0 EFADHO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196025630 1294109748 /nfs/dbraw/zinc/10/97/48/1294109748.db2.gz RCXYYUDDLPFBFZ-OZSKJFCKSA-N 1 3 327.488 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@H]2CCc3ccccc32)c1 ZINC001152245376 1294121408 /nfs/dbraw/zinc/12/14/08/1294121408.db2.gz FFLKFVGAGCDTEX-FQEVSTJZSA-N 1 3 337.467 2.755 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016952403 1313056280 /nfs/dbraw/zinc/05/62/80/1313056280.db2.gz VKUQKDJBWNJBHC-SFHVURJKSA-N 1 3 344.503 2.812 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016951177 1313056520 /nfs/dbraw/zinc/05/65/20/1313056520.db2.gz OZWFULVJBBARHJ-KRWDZBQOSA-N 1 3 332.492 2.668 20 0 EFADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275691 1294189175 /nfs/dbraw/zinc/18/91/75/1294189175.db2.gz LPDZEIXVMBADDY-QZTJIDSGSA-N 1 3 339.499 2.677 20 0 EFADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275691 1294189181 /nfs/dbraw/zinc/18/91/81/1294189181.db2.gz LPDZEIXVMBADDY-QZTJIDSGSA-N 1 3 339.499 2.677 20 0 EFADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275690 1294189658 /nfs/dbraw/zinc/18/96/58/1294189658.db2.gz LPDZEIXVMBADDY-MSOLQXFVSA-N 1 3 339.499 2.677 20 0 EFADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275690 1294189661 /nfs/dbraw/zinc/18/96/61/1294189661.db2.gz LPDZEIXVMBADDY-MSOLQXFVSA-N 1 3 339.499 2.677 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196342157 1294204695 /nfs/dbraw/zinc/20/46/95/1294204695.db2.gz YGYQZCSOPIGJOA-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN(CCc2cccs2)CC1 ZINC001196342157 1294204701 /nfs/dbraw/zinc/20/47/01/1294204701.db2.gz YGYQZCSOPIGJOA-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001196340867 1294204875 /nfs/dbraw/zinc/20/48/75/1294204875.db2.gz LBGHMSQPZGWISJ-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001196340867 1294204879 /nfs/dbraw/zinc/20/48/79/1294204879.db2.gz LBGHMSQPZGWISJ-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641406 1294301965 /nfs/dbraw/zinc/30/19/65/1294301965.db2.gz FLHSFTBNLKORDS-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO C[C@H](C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1 ZINC001276436578 1313070135 /nfs/dbraw/zinc/07/01/35/1313070135.db2.gz SUZRNNAKHLCYGU-RLLQIKCJSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@H](C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1 ZINC001276436578 1313070138 /nfs/dbraw/zinc/07/01/38/1313070138.db2.gz SUZRNNAKHLCYGU-RLLQIKCJSA-N 1 3 343.515 2.522 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC001196970472 1294413437 /nfs/dbraw/zinc/41/34/37/1294413437.db2.gz GQZRQNMIGJYIJP-INIZCTEOSA-N 1 3 345.478 2.688 20 0 EFADHO CCc1ccc(CCN2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1 ZINC001196963313 1294423657 /nfs/dbraw/zinc/42/36/57/1294423657.db2.gz QGVXACKIPKDXHW-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963841 1294424622 /nfs/dbraw/zinc/42/46/22/1294424622.db2.gz ZYCAKEUXRUOPJS-SFHVURJKSA-N 1 3 331.504 2.932 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]C/C=C\Cl)CC2)c1 ZINC001203869231 1294449374 /nfs/dbraw/zinc/44/93/74/1294449374.db2.gz AVMNAESNKCDIOQ-WTKPLQERSA-N 1 3 335.879 2.695 20 0 EFADHO CC(C)=CC[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203869769 1294456319 /nfs/dbraw/zinc/45/63/19/1294456319.db2.gz OYWJBAQKAXLXBT-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CC[C@@H](C(=O)N1CCCN(CCc2ccccc2)CC1)[NH+](CC)CC ZINC001197141156 1294457814 /nfs/dbraw/zinc/45/78/14/1294457814.db2.gz CYQHMFCYIRNWQC-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN1C(C)C ZINC000958784886 1294484092 /nfs/dbraw/zinc/48/40/92/1294484092.db2.gz YRSOVFNDOXSZJV-RTBURBONSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1 ZINC000958803268 1294504648 /nfs/dbraw/zinc/50/46/48/1294504648.db2.gz QEBLYCKEBILPEE-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO c1cn(CC[N@@H+]2CCC[C@@]3(CCCN(C[C@@H]4CCCCO4)C3)C2)cn1 ZINC001276442189 1313084499 /nfs/dbraw/zinc/08/44/99/1313084499.db2.gz AGJLJHKTCDIPND-VQTJNVASSA-N 1 3 346.519 2.630 20 0 EFADHO c1cn(CC[N@H+]2CCC[C@@]3(CCCN(C[C@@H]4CCCCO4)C3)C2)cn1 ZINC001276442189 1313084503 /nfs/dbraw/zinc/08/45/03/1313084503.db2.gz AGJLJHKTCDIPND-VQTJNVASSA-N 1 3 346.519 2.630 20 0 EFADHO O=c1cccc(CN2CC[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)[nH]1 ZINC001276443838 1313089310 /nfs/dbraw/zinc/08/93/10/1313089310.db2.gz NZAVAAWHKALVLM-SCTDSRPQSA-N 1 3 345.487 2.500 20 0 EFADHO O=c1cccc(CN2CC[C@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@H]3CC2)[nH]1 ZINC001276443838 1313089313 /nfs/dbraw/zinc/08/93/13/1313089313.db2.gz NZAVAAWHKALVLM-SCTDSRPQSA-N 1 3 345.487 2.500 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616432 1313090607 /nfs/dbraw/zinc/09/06/07/1313090607.db2.gz VWGJVBXATQNDPZ-XUVXKRRUSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616432 1313090609 /nfs/dbraw/zinc/09/06/09/1313090609.db2.gz VWGJVBXATQNDPZ-XUVXKRRUSA-N 1 3 345.531 2.892 20 0 EFADHO Cc1ccc(CCC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)o1 ZINC001276445411 1313094431 /nfs/dbraw/zinc/09/44/31/1313094431.db2.gz LOYMCLIBUWXVLI-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197809643 1294726322 /nfs/dbraw/zinc/72/63/22/1294726322.db2.gz FGOSIBJLDDIGJW-ROUUACIJSA-N 1 3 341.515 2.781 20 0 EFADHO Cc1ccc(CCN2CCCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001197886657 1294765354 /nfs/dbraw/zinc/76/53/54/1294765354.db2.gz YCWRPCXMSDMSDS-UHFFFAOYSA-N 1 3 345.531 2.804 20 0 EFADHO Cc1ccccc1C[NH2+]CCNC(=O)c1ccccc1CN(C)C ZINC001152383858 1294844184 /nfs/dbraw/zinc/84/41/84/1294844184.db2.gz KEGBDCUPPBSMRY-UHFFFAOYSA-N 1 3 325.456 2.576 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1)N1CCCC1 ZINC001049629693 1313109342 /nfs/dbraw/zinc/10/93/42/1313109342.db2.gz LLXUHJHKPPYQRR-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1)N1CCCC1 ZINC001049629693 1313109344 /nfs/dbraw/zinc/10/93/44/1313109344.db2.gz LLXUHJHKPPYQRR-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629756 1313109352 /nfs/dbraw/zinc/10/93/52/1313109352.db2.gz LTSBVURJSGCJII-ROUUACIJSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629756 1313109354 /nfs/dbraw/zinc/10/93/54/1313109354.db2.gz LTSBVURJSGCJII-ROUUACIJSA-N 1 3 333.520 2.892 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC001204263292 1313110748 /nfs/dbraw/zinc/11/07/48/1313110748.db2.gz KEZUJFIXDBNGLQ-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631937 1313112309 /nfs/dbraw/zinc/11/23/09/1313112309.db2.gz YTUVGDLKTRSYRB-QZTJIDSGSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049631937 1313112311 /nfs/dbraw/zinc/11/23/11/1313112311.db2.gz YTUVGDLKTRSYRB-QZTJIDSGSA-N 1 3 335.536 2.972 20 0 EFADHO COC(=O)C[C@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204269876 1313112530 /nfs/dbraw/zinc/11/25/30/1313112530.db2.gz LNWCFGIZAWLGFQ-GOSISDBHSA-N 1 3 348.487 2.792 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC001204271552 1313112826 /nfs/dbraw/zinc/11/28/26/1313112826.db2.gz NKLUZESXQAAFIP-UHFFFAOYSA-N 1 3 346.471 2.546 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCCN(CCc2cccs2)CC1 ZINC001198252982 1294955609 /nfs/dbraw/zinc/95/56/09/1294955609.db2.gz ZGCIIHOJVRQVQH-UHFFFAOYSA-N 1 3 349.544 2.701 20 0 EFADHO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001276452051 1313118461 /nfs/dbraw/zinc/11/84/61/1313118461.db2.gz RCTQZJHRYYNEAA-NDDJGDGRSA-N 1 3 328.456 2.791 20 0 EFADHO COC(=O)/C=C/c1ccc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)cc1 ZINC001276452051 1313118464 /nfs/dbraw/zinc/11/84/64/1313118464.db2.gz RCTQZJHRYYNEAA-NDDJGDGRSA-N 1 3 328.456 2.791 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001203903095 1295021669 /nfs/dbraw/zinc/02/16/69/1295021669.db2.gz LNJWXVLZUGKISW-CQSZACIVSA-N 1 3 348.318 2.760 20 0 EFADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001006411121 1295050058 /nfs/dbraw/zinc/05/00/58/1295050058.db2.gz PBWQLVLUWAKKBQ-AIADIJKESA-N 1 3 341.499 2.574 20 0 EFADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001006411121 1295050066 /nfs/dbraw/zinc/05/00/66/1295050066.db2.gz PBWQLVLUWAKKBQ-AIADIJKESA-N 1 3 341.499 2.574 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001006411124 1295050961 /nfs/dbraw/zinc/05/09/61/1295050961.db2.gz PBWQLVLUWAKKBQ-WMHRWZGDSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001006411124 1295050967 /nfs/dbraw/zinc/05/09/67/1295050967.db2.gz PBWQLVLUWAKKBQ-WMHRWZGDSA-N 1 3 341.499 2.574 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640466 1313122922 /nfs/dbraw/zinc/12/29/22/1313122922.db2.gz VUMAVHDHXHIACE-WZOJCFFYSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640466 1313122924 /nfs/dbraw/zinc/12/29/24/1313122924.db2.gz VUMAVHDHXHIACE-WZOJCFFYSA-N 1 3 347.547 2.972 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CC/C=C/c1ccccc1 ZINC001152457055 1295074137 /nfs/dbraw/zinc/07/41/37/1295074137.db2.gz AMXYSRCPUONNBU-IPVAERDFSA-N 1 3 329.488 2.670 20 0 EFADHO CN1CCc2c(cccc2OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)C1 ZINC001234420991 1313124921 /nfs/dbraw/zinc/12/49/21/1313124921.db2.gz YXAJIGVNDCMXLC-KRWDZBQOSA-N 1 3 330.472 2.697 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001412843803 1295112417 /nfs/dbraw/zinc/11/24/17/1295112417.db2.gz VCNJYBJEJPVHHR-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001412843803 1295112420 /nfs/dbraw/zinc/11/24/20/1295112420.db2.gz VCNJYBJEJPVHHR-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO Cc1cnsc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276461953 1313135936 /nfs/dbraw/zinc/13/59/36/1313135936.db2.gz PDNNQYHXRJRGIJ-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1cnsc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276461953 1313135942 /nfs/dbraw/zinc/13/59/42/1313135942.db2.gz PDNNQYHXRJRGIJ-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NC(C)C ZINC001198723318 1295205997 /nfs/dbraw/zinc/20/59/97/1295205997.db2.gz DNKZQGRRUNZIRK-ROUUACIJSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NC(C)C ZINC001198723318 1295206006 /nfs/dbraw/zinc/20/60/06/1295206006.db2.gz DNKZQGRRUNZIRK-ROUUACIJSA-N 1 3 347.503 2.723 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1OC ZINC001198752971 1295232728 /nfs/dbraw/zinc/23/27/28/1295232728.db2.gz WWHUVTDBLFLRSU-QZTJIDSGSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1OC ZINC001198752971 1295232734 /nfs/dbraw/zinc/23/27/34/1295232734.db2.gz WWHUVTDBLFLRSU-QZTJIDSGSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1OC ZINC001198752973 1295233250 /nfs/dbraw/zinc/23/32/50/1295233250.db2.gz WWHUVTDBLFLRSU-ROUUACIJSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1OC ZINC001198752973 1295233258 /nfs/dbraw/zinc/23/32/58/1295233258.db2.gz WWHUVTDBLFLRSU-ROUUACIJSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)c1ccccc1OC ZINC001198752968 1295234171 /nfs/dbraw/zinc/23/41/71/1295234171.db2.gz WWHUVTDBLFLRSU-MSOLQXFVSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)c1ccccc1OC ZINC001198752968 1295234174 /nfs/dbraw/zinc/23/41/74/1295234174.db2.gz WWHUVTDBLFLRSU-MSOLQXFVSA-N 1 3 347.503 2.727 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1OC ZINC001198759999 1295237982 /nfs/dbraw/zinc/23/79/82/1295237982.db2.gz OUCJPCAKUVQORM-MJGOQNOKSA-N 1 3 347.503 2.582 20 0 EFADHO c1ccc2c(c1)COC21CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734722 1313139293 /nfs/dbraw/zinc/13/92/93/1313139293.db2.gz VHNXGSIMANEVDI-GOSISDBHSA-N 1 3 342.483 2.667 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001017072033 1313140140 /nfs/dbraw/zinc/14/01/40/1313140140.db2.gz RJXXNOICFATHRD-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001017072033 1313140142 /nfs/dbraw/zinc/14/01/42/1313140142.db2.gz RJXXNOICFATHRD-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001017072993 1313140859 /nfs/dbraw/zinc/14/08/59/1313140859.db2.gz XVRLOQJHPDQCPO-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001017072993 1313140860 /nfs/dbraw/zinc/14/08/60/1313140860.db2.gz XVRLOQJHPDQCPO-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1NC(=O)CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132249 1295286956 /nfs/dbraw/zinc/28/69/56/1295286956.db2.gz AWLSCRSUKHWUOO-KRWDZBQOSA-N 1 3 338.455 2.929 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902751 1295303672 /nfs/dbraw/zinc/30/36/72/1295303672.db2.gz OILVOFDXFZHEPI-IRXDYDNUSA-N 1 3 335.492 2.582 20 0 EFADHO CCCCN[C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865445 1295305541 /nfs/dbraw/zinc/30/55/41/1295305541.db2.gz KUQYOWSZCQSOGH-KRWDZBQOSA-N 1 3 335.492 2.584 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C(C)C ZINC001198903179 1295306132 /nfs/dbraw/zinc/30/61/32/1295306132.db2.gz WGJZDYVJDSHOEI-KRWDZBQOSA-N 1 3 349.519 2.828 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CC[NH+](C)C)NCCCC(C)C ZINC001198885751 1295318593 /nfs/dbraw/zinc/31/85/93/1295318593.db2.gz RJMMALZHDWSZKP-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CC/C=C/CCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885976 1295320660 /nfs/dbraw/zinc/32/06/60/1295320660.db2.gz WHJRDKPTKINXQQ-IPLHWJFFSA-N 1 3 347.503 2.750 20 0 EFADHO CCN[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)c1ccccc1OC ZINC001198932406 1295339806 /nfs/dbraw/zinc/33/98/06/1295339806.db2.gz NZRGPZYKCYBOBP-MJGOQNOKSA-N 1 3 349.519 2.828 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC001198938637 1295342696 /nfs/dbraw/zinc/34/26/96/1295342696.db2.gz BZEFWBHNQAXKGE-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198967506 1295364044 /nfs/dbraw/zinc/36/40/44/1295364044.db2.gz IBZVNRKDEQJFAX-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](NCC(C)C)c1ccccc1OC ZINC001198967506 1295364055 /nfs/dbraw/zinc/36/40/55/1295364055.db2.gz IBZVNRKDEQJFAX-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198967507 1295364417 /nfs/dbraw/zinc/36/44/17/1295364417.db2.gz IBZVNRKDEQJFAX-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](NCC(C)C)c1ccccc1OC ZINC001198967507 1295364429 /nfs/dbraw/zinc/36/44/29/1295364429.db2.gz IBZVNRKDEQJFAX-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CCC[NH+]1CCCC1)NC(C)C ZINC001198993355 1295388919 /nfs/dbraw/zinc/38/89/19/1295388919.db2.gz OERDXQDAJPAZDK-GOSISDBHSA-N 1 3 347.503 2.727 20 0 EFADHO CCN[C@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1OC ZINC001199001955 1295396726 /nfs/dbraw/zinc/39/67/26/1295396726.db2.gz NDKNBWMHSCZSRR-GOSISDBHSA-N 1 3 347.503 2.728 20 0 EFADHO [NH3+]CCCCCCNCc1ccccc1I ZINC000843129506 1295530383 /nfs/dbraw/zinc/53/03/83/1295530383.db2.gz VCHJHVAJVDKCHM-UHFFFAOYSA-N 1 3 332.229 2.900 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC1)N1CCCC1 ZINC001037229414 1295586918 /nfs/dbraw/zinc/58/69/18/1295586918.db2.gz ZOUDZXAPMFKCFW-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC1)N1CCCC1 ZINC001037229416 1295587791 /nfs/dbraw/zinc/58/77/91/1295587791.db2.gz ZOUDZXAPMFKCFW-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1nc[nH]c1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001204592129 1313170602 /nfs/dbraw/zinc/17/06/02/1313170602.db2.gz JVOOMGVWNVKMCV-UHFFFAOYSA-N 1 3 339.487 2.990 20 0 EFADHO Cc1nc[nH]c1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001204592129 1313170604 /nfs/dbraw/zinc/17/06/04/1313170604.db2.gz JVOOMGVWNVKMCV-UHFFFAOYSA-N 1 3 339.487 2.990 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001037231104 1295649145 /nfs/dbraw/zinc/64/91/45/1295649145.db2.gz XVZJOAQBBBPDKD-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001234642780 1313175863 /nfs/dbraw/zinc/17/58/63/1313175863.db2.gz KWHOCOHWVRUWTM-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001234642780 1313175866 /nfs/dbraw/zinc/17/58/66/1313175866.db2.gz KWHOCOHWVRUWTM-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001234640468 1313175237 /nfs/dbraw/zinc/17/52/37/1313175237.db2.gz ABHLFXYZZIOWBI-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001234640468 1313175239 /nfs/dbraw/zinc/17/52/39/1313175239.db2.gz ABHLFXYZZIOWBI-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001234642785 1313175657 /nfs/dbraw/zinc/17/56/57/1313175657.db2.gz KWHOCOHWVRUWTM-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001234642785 1313175660 /nfs/dbraw/zinc/17/56/60/1313175660.db2.gz KWHOCOHWVRUWTM-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO Fc1ccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001204646324 1313176830 /nfs/dbraw/zinc/17/68/30/1313176830.db2.gz OMAHIASLLWOSMA-UHFFFAOYSA-N 1 3 331.479 2.723 20 0 EFADHO Cc1ccc(CCC[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001199788771 1295752021 /nfs/dbraw/zinc/75/20/21/1295752021.db2.gz ZWFMWUAUKLMZAA-HXUWFJFHSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001276362361 1295799835 /nfs/dbraw/zinc/79/98/35/1295799835.db2.gz BEMKMRYOCOOUCI-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCC[N@H+](C[C@H](O)CN(C)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001412951367 1295934773 /nfs/dbraw/zinc/93/47/73/1295934773.db2.gz TVAXAEFTGQWXMG-NHCUHLMSSA-N 1 3 347.547 2.676 20 0 EFADHO CCC[N@@H+](C[C@H](O)CN(C)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001412951367 1295934783 /nfs/dbraw/zinc/93/47/83/1295934783.db2.gz TVAXAEFTGQWXMG-NHCUHLMSSA-N 1 3 347.547 2.676 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142787 1313198987 /nfs/dbraw/zinc/19/89/87/1313198987.db2.gz PMHPTYDDGMNAKA-MAUKXSAKSA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142787 1313198991 /nfs/dbraw/zinc/19/89/91/1313198991.db2.gz PMHPTYDDGMNAKA-MAUKXSAKSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049704026 1313200390 /nfs/dbraw/zinc/20/03/90/1313200390.db2.gz OEOKBMPWJPNRPZ-VAMGGRTRSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049704026 1313200394 /nfs/dbraw/zinc/20/03/94/1313200394.db2.gz OEOKBMPWJPNRPZ-VAMGGRTRSA-N 1 3 343.515 2.838 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001037243725 1295997798 /nfs/dbraw/zinc/99/77/98/1295997798.db2.gz CHIFOZTVMNJHHT-HOTGVXAUSA-N 1 3 346.500 2.787 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001037243726 1295998066 /nfs/dbraw/zinc/99/80/66/1295998066.db2.gz CHIFOZTVMNJHHT-HZPDHXFCSA-N 1 3 346.500 2.787 20 0 EFADHO C[C@@H]1CN(CC[C@H]2COC(C)(C)[NH2+]2)[C@@H](C)CN1Cc1ccccc1 ZINC001204896122 1313207892 /nfs/dbraw/zinc/20/78/92/1313207892.db2.gz HNYFFIMDYHNHBR-SCTDSRPQSA-N 1 3 331.504 2.696 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037246328 1296039542 /nfs/dbraw/zinc/03/95/42/1296039542.db2.gz KXBZPDQEIGHMRF-DLBZAZTESA-N 1 3 332.492 2.715 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786994 1313212489 /nfs/dbraw/zinc/21/24/89/1313212489.db2.gz SRSSLFRMOMXOLA-DLBZAZTESA-N 1 3 345.487 2.735 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC000959849378 1296141208 /nfs/dbraw/zinc/14/12/08/1296141208.db2.gz LVTYHYLMZPKHCB-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000959849378 1296141214 /nfs/dbraw/zinc/14/12/14/1296141214.db2.gz LVTYHYLMZPKHCB-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720719 1313223242 /nfs/dbraw/zinc/22/32/42/1313223242.db2.gz SSUZGTFDQKURGD-MDZRGWNJSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720719 1313223245 /nfs/dbraw/zinc/22/32/45/1313223245.db2.gz SSUZGTFDQKURGD-MDZRGWNJSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](C(=O)N1CCCCCC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793593 1313223461 /nfs/dbraw/zinc/22/34/61/1313223461.db2.gz FUEUARDIVQVEKG-GOSISDBHSA-N 1 3 343.515 2.770 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001049720717 1313223611 /nfs/dbraw/zinc/22/36/11/1313223611.db2.gz SSUZGTFDQKURGD-FRQCXROJSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001049720717 1313223615 /nfs/dbraw/zinc/22/36/15/1313223615.db2.gz SSUZGTFDQKURGD-FRQCXROJSA-N 1 3 339.499 2.674 20 0 EFADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OC(=O)C(C)C ZINC001205047023 1313226059 /nfs/dbraw/zinc/22/60/59/1313226059.db2.gz MQLANQLEYSMTFQ-UHFFFAOYSA-N 1 3 334.460 2.817 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274886489 1296201923 /nfs/dbraw/zinc/20/19/23/1296201923.db2.gz BZMPJUOIKAXOSZ-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001274886489 1296201932 /nfs/dbraw/zinc/20/19/32/1296201932.db2.gz BZMPJUOIKAXOSZ-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N1CCCCC1 ZINC000959895914 1296204270 /nfs/dbraw/zinc/20/42/70/1296204270.db2.gz QVAFIKGCLGMUPX-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N1CCCCC1 ZINC000959895914 1296204276 /nfs/dbraw/zinc/20/42/76/1296204276.db2.gz QVAFIKGCLGMUPX-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC000959925071 1296242070 /nfs/dbraw/zinc/24/20/70/1296242070.db2.gz LPFQBWNIYSDAPF-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CN1CCN(C2(c3ccc(Nc4cc[nH+]c5c4CCC5)cc3)CC2)CC1 ZINC001205097125 1313232111 /nfs/dbraw/zinc/23/21/11/1313232111.db2.gz XRDZOTSTNZIXEK-UHFFFAOYSA-N 1 3 348.494 2.972 20 0 EFADHO COc1ccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)cc1C(C)C ZINC001275354049 1296261334 /nfs/dbraw/zinc/26/13/34/1296261334.db2.gz YGDCVIPGKJVXOJ-AZUAARDMSA-N 1 3 345.531 2.886 20 0 EFADHO COc1ccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)cc1C(C)C ZINC001275354049 1296261346 /nfs/dbraw/zinc/26/13/46/1296261346.db2.gz YGDCVIPGKJVXOJ-AZUAARDMSA-N 1 3 345.531 2.886 20 0 EFADHO Fc1cccc(CCN2CCCC3(C[NH+](CCn4ccnc4)C3)C2)c1 ZINC001276479418 1313237303 /nfs/dbraw/zinc/23/73/03/1313237303.db2.gz ZOKAYEHXQFMQGZ-UHFFFAOYSA-N 1 3 342.462 2.663 20 0 EFADHO CSc1ccc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)s1 ZINC001275731901 1296383324 /nfs/dbraw/zinc/38/33/24/1296383324.db2.gz LTSMQOTVCNTHNQ-DZGCQCFKSA-N 1 3 325.547 2.538 20 0 EFADHO CCOC(=O)c1c(C)[nH]c(CN2CCC3(CC[NH2+]CC3)CC2)c1C ZINC001235135217 1313249876 /nfs/dbraw/zinc/24/98/76/1313249876.db2.gz MFJZZBAJNUNYQR-UHFFFAOYSA-N 1 3 333.476 2.774 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC000960045085 1296400128 /nfs/dbraw/zinc/40/01/28/1296400128.db2.gz XDLQJKKIHIVZSK-RBUKOAKNSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC000960045206 1296400343 /nfs/dbraw/zinc/40/03/43/1296400343.db2.gz YVYUSRDHADTONL-FUHWJXTLSA-N 1 3 335.467 2.637 20 0 EFADHO CCn1ccnc1CN1CCCC2(CC[NH+](Cc3ncc[nH]3)CC2)C1 ZINC001275847310 1296434964 /nfs/dbraw/zinc/43/49/64/1296434964.db2.gz QOWVMEPCUDONLQ-UHFFFAOYSA-N 1 3 342.491 2.504 20 0 EFADHO Cc1cc(CN2CCC[C@](O)(C[NH3+])CC2)cc(C)c1Br ZINC001205239412 1313257357 /nfs/dbraw/zinc/25/73/57/1313257357.db2.gz AJCGWSHFUNLVOQ-MRXNPFEDSA-N 1 3 341.293 2.742 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNCc2ccccc2F)CC1 ZINC000960115244 1296473259 /nfs/dbraw/zinc/47/32/59/1296473259.db2.gz KHBSEUPMEKOMEJ-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC000960130107 1296490165 /nfs/dbraw/zinc/49/01/65/1296490165.db2.gz FBHDVDVMZQEWOY-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000960131103 1296491769 /nfs/dbraw/zinc/49/17/69/1296491769.db2.gz NJPJXLJMJRIXLH-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC000960131100 1296491918 /nfs/dbraw/zinc/49/19/18/1296491918.db2.gz NJPJXLJMJRIXLH-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO COC(C)(C)CC[NH+]1CCC2(CCN(Cc3cc(C)nn3C)C2)CC1 ZINC001276027068 1296492164 /nfs/dbraw/zinc/49/21/64/1296492164.db2.gz SUGQHBVITMHIRI-UHFFFAOYSA-N 1 3 348.535 2.832 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017209091 1313267316 /nfs/dbraw/zinc/26/73/16/1313267316.db2.gz LOIVOXHRLPLYJJ-IAGOWNOFSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017209091 1313267319 /nfs/dbraw/zinc/26/73/19/1313267319.db2.gz LOIVOXHRLPLYJJ-IAGOWNOFSA-N 1 3 349.544 2.903 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960178210 1296542627 /nfs/dbraw/zinc/54/26/27/1296542627.db2.gz XCOFGMVVPRSOPY-WCIQWLHISA-N 1 3 345.531 2.798 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960178210 1296542636 /nfs/dbraw/zinc/54/26/36/1296542636.db2.gz XCOFGMVVPRSOPY-WCIQWLHISA-N 1 3 345.531 2.798 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001201053845 1296568480 /nfs/dbraw/zinc/56/84/80/1296568480.db2.gz ZEMWXVBBMLTPPM-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001017223061 1313275715 /nfs/dbraw/zinc/27/57/15/1313275715.db2.gz YPRNUUVWZAOZGF-GOSISDBHSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001017223061 1313275718 /nfs/dbraw/zinc/27/57/18/1313275718.db2.gz YPRNUUVWZAOZGF-GOSISDBHSA-N 1 3 340.471 2.631 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF)N1CCCCCC1 ZINC001049767566 1313277509 /nfs/dbraw/zinc/27/75/09/1313277509.db2.gz PSCXBQMBXYNKGG-KZNAEPCWSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF)N1CCCCCC1 ZINC001049767566 1313277512 /nfs/dbraw/zinc/27/75/12/1313277512.db2.gz PSCXBQMBXYNKGG-KZNAEPCWSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049768318 1313278609 /nfs/dbraw/zinc/27/86/09/1313278609.db2.gz VHUNTBLKIZXSDH-RCCFBDPRSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001049768318 1313278612 /nfs/dbraw/zinc/27/86/12/1313278612.db2.gz VHUNTBLKIZXSDH-RCCFBDPRSA-N 1 3 339.499 2.674 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001201238927 1296645578 /nfs/dbraw/zinc/64/55/78/1296645578.db2.gz FETIVZRHOJPHBQ-UFUQCMIWSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1cc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)ccc1F ZINC001276229806 1296666610 /nfs/dbraw/zinc/66/66/10/1296666610.db2.gz FAOWAVBBZOAIKQ-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC001459628762 1296669984 /nfs/dbraw/zinc/66/99/84/1296669984.db2.gz PGIQMAYOYMTGGX-MRXNPFEDSA-N 1 3 328.497 2.541 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001095533551 1296692965 /nfs/dbraw/zinc/69/29/65/1296692965.db2.gz CPBRGLCVMRETGC-YDZRNGNQSA-N 1 3 331.504 2.525 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001095533551 1296692984 /nfs/dbraw/zinc/69/29/84/1296692984.db2.gz CPBRGLCVMRETGC-YDZRNGNQSA-N 1 3 331.504 2.525 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001017242448 1313291681 /nfs/dbraw/zinc/29/16/81/1313291681.db2.gz XLNPXKGXTVSONP-IOJLRTSASA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001017242448 1313291685 /nfs/dbraw/zinc/29/16/85/1313291685.db2.gz XLNPXKGXTVSONP-IOJLRTSASA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)C1 ZINC000353466876 1313294377 /nfs/dbraw/zinc/29/43/77/1313294377.db2.gz KAUPAHPXJANVJF-NMLACTOBSA-N 1 3 341.499 2.574 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1 ZINC001201313812 1296721153 /nfs/dbraw/zinc/72/11/53/1296721153.db2.gz HUSVCKZBWMSEHM-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC001201327336 1296730148 /nfs/dbraw/zinc/73/01/48/1296730148.db2.gz LKJAMYSPICNBHA-UHFFFAOYSA-N 1 3 337.533 2.867 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3sccc3Cl)C[C@@H]1CC[NH2+]CC2 ZINC001235348844 1313297316 /nfs/dbraw/zinc/29/73/16/1313297316.db2.gz GBSKTQLKWIIRDL-LRDDRELGSA-N 1 3 342.892 2.766 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC001413012333 1296771091 /nfs/dbraw/zinc/77/10/91/1296771091.db2.gz RHQFVNYZSYGCDX-VQTJNVASSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC001413012333 1296771099 /nfs/dbraw/zinc/77/10/99/1296771099.db2.gz RHQFVNYZSYGCDX-VQTJNVASSA-N 1 3 343.515 2.918 20 0 EFADHO CCC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)c1 ZINC000924696488 1296781534 /nfs/dbraw/zinc/78/15/34/1296781534.db2.gz GSLDEVGXGODHTQ-YQQQUEKLSA-N 1 3 345.487 2.767 20 0 EFADHO Cc1ccccc1C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000925118210 1296800178 /nfs/dbraw/zinc/80/01/78/1296800178.db2.gz RQPHMCIKMXUUPF-SFHVURJKSA-N 1 3 328.456 2.918 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001017263312 1313308135 /nfs/dbraw/zinc/30/81/35/1313308135.db2.gz FSQWUNPZFBCMOG-QGZVFWFLSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001017263312 1313308139 /nfs/dbraw/zinc/30/81/39/1313308139.db2.gz FSQWUNPZFBCMOG-QGZVFWFLSA-N 1 3 331.504 2.941 20 0 EFADHO Clc1ccc(CN2CCC(N[C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925515554 1296845994 /nfs/dbraw/zinc/84/59/94/1296845994.db2.gz UISIPDSLZIENIY-OBNKQFAMSA-N 1 3 345.918 2.890 20 0 EFADHO [NH3+]CCC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000925565141 1296853957 /nfs/dbraw/zinc/85/39/57/1296853957.db2.gz PGDYKLLCPCKFMZ-IBGZPJMESA-N 1 3 346.496 2.671 20 0 EFADHO [NH3+]CCC[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000925565579 1296854060 /nfs/dbraw/zinc/85/40/60/1296854060.db2.gz URXXAIZQASKYLZ-GOSISDBHSA-N 1 3 332.469 2.530 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](N)C34CCC4)CC2)cs1 ZINC000925574582 1296859230 /nfs/dbraw/zinc/85/92/30/1296859230.db2.gz RVMLTYLXOZVYKB-DLBZAZTESA-N 1 3 348.560 2.777 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3C[C@H](N)C34CCC4)CC2)cs1 ZINC000925574587 1296859508 /nfs/dbraw/zinc/85/95/08/1296859508.db2.gz RVMLTYLXOZVYKB-IRXDYDNUSA-N 1 3 348.560 2.777 20 0 EFADHO [NH3+]CCC[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccccc1 ZINC000925582180 1296862578 /nfs/dbraw/zinc/86/25/78/1296862578.db2.gz YFCOPJYLJYWQAO-GOSISDBHSA-N 1 3 344.480 2.586 20 0 EFADHO CCC[C@@H](C)CN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201543281 1296897724 /nfs/dbraw/zinc/89/77/24/1296897724.db2.gz DRNCVVHHPRPJOK-QGZVFWFLSA-N 1 3 349.523 2.532 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1cccc(Br)n1 ZINC000926149493 1296905986 /nfs/dbraw/zinc/90/59/86/1296905986.db2.gz BQPYRSUMYADFLV-CYBMUJFWSA-N 1 3 344.297 2.853 20 0 EFADHO C[C@H]1CCN(Cc2cccc(Br)c2N)CC[C@H]1C[NH3+] ZINC001205638422 1313328296 /nfs/dbraw/zinc/32/82/96/1313328296.db2.gz NULPJVHVLBIXNI-RYUDHWBXSA-N 1 3 326.282 2.838 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCC)C1 ZINC001201668669 1296981706 /nfs/dbraw/zinc/98/17/06/1296981706.db2.gz IPFNOUFGXYOUAV-SFHVURJKSA-N 1 3 341.540 2.506 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927109457 1296993359 /nfs/dbraw/zinc/99/33/59/1296993359.db2.gz NCAACDVGROEMCI-DUXKGJEZSA-N 1 3 349.563 2.872 20 0 EFADHO C(CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21)[C@H]1CCC[NH2+]C1 ZINC001235469046 1313330779 /nfs/dbraw/zinc/33/07/79/1313330779.db2.gz XWNKEBIDNAQLGK-GSEOLPGOSA-N 1 3 336.520 2.815 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685960 1313337667 /nfs/dbraw/zinc/33/76/67/1313337667.db2.gz KUDRCSFZIQPSMO-PKOBYXMFSA-N 1 3 349.494 2.850 20 0 EFADHO CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@@](O)(CN)C3)ccc2c1 ZINC001205688344 1313338711 /nfs/dbraw/zinc/33/87/11/1313338711.db2.gz GAVNKXBBCKFLHJ-HXUWFJFHSA-N 1 3 327.472 2.582 20 0 EFADHO CN(C)c1ccc2cc(C[N@H+]3CCCC[C@@](O)(CN)C3)ccc2c1 ZINC001205688344 1313338715 /nfs/dbraw/zinc/33/87/15/1313338715.db2.gz GAVNKXBBCKFLHJ-HXUWFJFHSA-N 1 3 327.472 2.582 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478105 1297069834 /nfs/dbraw/zinc/06/98/34/1297069834.db2.gz LQTJWEWQAJLNDV-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478105 1297069841 /nfs/dbraw/zinc/06/98/41/1297069841.db2.gz LQTJWEWQAJLNDV-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO O=C1C[C@@]2(CCN(CC[C@@H]3CCCC[NH2+]3)C2)CN1c1ccc(F)cc1 ZINC001235525264 1313344272 /nfs/dbraw/zinc/34/42/72/1313344272.db2.gz HZYCVPQBOHFRJE-FXAWDEMLSA-N 1 3 345.462 2.787 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC000960491002 1297099261 /nfs/dbraw/zinc/09/92/61/1297099261.db2.gz XEVBVBXVSUIRFX-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000960491002 1297099275 /nfs/dbraw/zinc/09/92/75/1297099275.db2.gz XEVBVBXVSUIRFX-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H]1CCc1ccccc1 ZINC000903883879 1313344339 /nfs/dbraw/zinc/34/43/39/1313344339.db2.gz LKHMNFFVSQRHPK-OALUTQOASA-N 1 3 339.487 2.800 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]1CCc1ccccc1 ZINC000903883880 1313343971 /nfs/dbraw/zinc/34/39/71/1313343971.db2.gz LKHMNFFVSQRHPK-RBUKOAKNSA-N 1 3 339.487 2.800 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H]1Cc1ccccc1 ZINC000903888855 1313357294 /nfs/dbraw/zinc/35/72/94/1313357294.db2.gz LWQZOOJHZKPLEP-RTBURBONSA-N 1 3 339.487 2.800 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCN1CCCc1ccccc1)[NH+](C)C ZINC001235601137 1313357835 /nfs/dbraw/zinc/35/78/35/1313357835.db2.gz IYDSIMVMFRXPSD-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1ccccc1C[C@H]1CCCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892812 1313363451 /nfs/dbraw/zinc/36/34/51/1313363451.db2.gz WXUCSNPEOMNBOU-MOPGFXCFSA-N 1 3 339.487 2.718 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000930681240 1297281043 /nfs/dbraw/zinc/28/10/43/1297281043.db2.gz UREJKVJWVHSBRV-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO c1nc(CNC2CCCC2)c2n1CCCN(CC[C@H]1CCCC[NH2+]1)C2 ZINC001235646504 1313366427 /nfs/dbraw/zinc/36/64/27/1313366427.db2.gz QKAZNQVYVJUVTL-GOSISDBHSA-N 1 3 345.535 2.653 20 0 EFADHO FC(F)(F)[C@@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235658733 1313368233 /nfs/dbraw/zinc/36/82/33/1313368233.db2.gz AOGOAADLCDHGND-QGZVFWFLSA-N 1 3 341.421 2.866 20 0 EFADHO C[NH+](C)[C@@H]1[C@H]2CN(CCCCCCNC(=O)OC(C)(C)C)C[C@H]21 ZINC000931277068 1297321316 /nfs/dbraw/zinc/32/13/16/1297321316.db2.gz HJPGRBLAEUTKBK-ZSHCYNCHSA-N 1 3 325.497 2.563 20 0 EFADHO CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000903891467 1313361370 /nfs/dbraw/zinc/36/13/70/1313361370.db2.gz APDYJYCBZDXPBU-MUSFGAPCSA-N 1 3 347.890 2.908 20 0 EFADHO c1ccc(CCN2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1 ZINC001235691418 1313377148 /nfs/dbraw/zinc/37/71/48/1313377148.db2.gz KIWRPEXTXQFRBF-UHFFFAOYSA-N 1 3 335.495 2.693 20 0 EFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001235695075 1313377708 /nfs/dbraw/zinc/37/77/08/1313377708.db2.gz OGAHQEAYHFASTI-ZDUSSCGKSA-N 1 3 336.501 2.948 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC000960666196 1297390237 /nfs/dbraw/zinc/39/02/37/1297390237.db2.gz APAJDCSYUPFOFL-OALUTQOASA-N 1 3 347.478 2.589 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847734 1313382614 /nfs/dbraw/zinc/38/26/14/1313382614.db2.gz GAYQVBCJRZBURV-GQGLESIBSA-N 1 3 344.503 2.799 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847734 1313382617 /nfs/dbraw/zinc/38/26/17/1313382617.db2.gz GAYQVBCJRZBURV-GQGLESIBSA-N 1 3 344.503 2.799 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN(C)CCC1CC[NH2+]CC1 ZINC001235714453 1313382900 /nfs/dbraw/zinc/38/29/00/1313382900.db2.gz LUYCBOHGXKGSMY-UHFFFAOYSA-N 1 3 334.460 2.693 20 0 EFADHO CCCCCCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235721550 1313383881 /nfs/dbraw/zinc/38/38/81/1313383881.db2.gz FWTZCTFGMGPVFM-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC000960676561 1297409890 /nfs/dbraw/zinc/40/98/90/1297409890.db2.gz CAPXLVHZVYMTOI-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC000960676561 1297409899 /nfs/dbraw/zinc/40/98/99/1297409899.db2.gz CAPXLVHZVYMTOI-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC000960684041 1297419429 /nfs/dbraw/zinc/41/94/29/1297419429.db2.gz OQCCLLWBEMVPNI-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC000960684041 1297419434 /nfs/dbraw/zinc/41/94/34/1297419434.db2.gz OQCCLLWBEMVPNI-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960688523 1297421940 /nfs/dbraw/zinc/42/19/40/1297421940.db2.gz OBSNDKDQPTVPGY-CVEARBPZSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960688523 1297421943 /nfs/dbraw/zinc/42/19/43/1297421943.db2.gz OBSNDKDQPTVPGY-CVEARBPZSA-N 1 3 345.478 2.541 20 0 EFADHO Cc1nc(Cl)c(CCN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001205981560 1313385431 /nfs/dbraw/zinc/38/54/31/1313385431.db2.gz FBQLSVLUXIFITR-CMPLNLGQSA-N 1 3 331.291 2.941 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC000960691328 1297425003 /nfs/dbraw/zinc/42/50/03/1297425003.db2.gz VONWCNFUNNYHFZ-OALUTQOASA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960692434 1297427093 /nfs/dbraw/zinc/42/70/93/1297427093.db2.gz ZMRJKZNPAUQJJQ-ROUUACIJSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960692434 1297427097 /nfs/dbraw/zinc/42/70/97/1297427097.db2.gz ZMRJKZNPAUQJJQ-ROUUACIJSA-N 1 3 337.552 2.932 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960715556 1297467661 /nfs/dbraw/zinc/46/76/61/1297467661.db2.gz CQDLGJUAZRTDRD-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960715556 1297467664 /nfs/dbraw/zinc/46/76/64/1297467664.db2.gz CQDLGJUAZRTDRD-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852096 1313388497 /nfs/dbraw/zinc/38/84/97/1313388497.db2.gz ZYCWJKXHPUDKIQ-HOTGVXAUSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852096 1313388500 /nfs/dbraw/zinc/38/85/00/1313388500.db2.gz ZYCWJKXHPUDKIQ-HOTGVXAUSA-N 1 3 330.476 2.553 20 0 EFADHO Cc1nc(Br)ccc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206012554 1313391446 /nfs/dbraw/zinc/39/14/46/1313391446.db2.gz MJNDNUVADQEPIT-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1cnc(CN2CCC[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206012622 1313391486 /nfs/dbraw/zinc/39/14/86/1313391486.db2.gz NAPCYSWDMWCEFO-OLZOCXBDSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cnn1C ZINC000903909324 1313394166 /nfs/dbraw/zinc/39/41/66/1313394166.db2.gz TYUQBLTXXQUROF-MISYRCLQSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)cnn1C ZINC000903909324 1313394171 /nfs/dbraw/zinc/39/41/71/1313394171.db2.gz TYUQBLTXXQUROF-MISYRCLQSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1ncc(Br)cc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206035544 1313394919 /nfs/dbraw/zinc/39/49/19/1313394919.db2.gz CIRYLIWZWHWLPR-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc(Cl)ccc3F)CC2)CC1 ZINC001206035696 1313395387 /nfs/dbraw/zinc/39/53/87/1313395387.db2.gz SHVNWAVOGFGOGG-UHFFFAOYSA-N 1 3 339.886 2.939 20 0 EFADHO c1ccc(CN2CCC23CN(CC2CC4(C2)CC[NH2+]CC4)C3)cc1 ZINC001235808813 1313402043 /nfs/dbraw/zinc/40/20/43/1313402043.db2.gz HJTCYHCWOBUMIE-UHFFFAOYSA-N 1 3 325.500 2.727 20 0 EFADHO Fc1cccnc1OC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903910074 1313396620 /nfs/dbraw/zinc/39/66/20/1313396620.db2.gz JJHPFMVIEKRQSO-UHFFFAOYSA-N 1 3 341.430 2.910 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[NH2+]C[C@H]2Cc2ccccc2)c1 ZINC001235850701 1313409857 /nfs/dbraw/zinc/40/98/57/1313409857.db2.gz YGDSGCZYAYDZLJ-OAQYLSRUSA-N 1 3 341.474 2.904 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960838274 1297656328 /nfs/dbraw/zinc/65/63/28/1297656328.db2.gz KIQLJPQXRUIRFT-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000903917518 1313411599 /nfs/dbraw/zinc/41/15/99/1313411599.db2.gz ZFKOTNIRGAVHTI-IAGOWNOFSA-N 1 3 331.508 2.995 20 0 EFADHO Brc1ccc([C@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235881413 1313414185 /nfs/dbraw/zinc/41/41/85/1313414185.db2.gz FMJBEGVLSZGZJK-GOEBONIOSA-N 1 3 339.277 2.617 20 0 EFADHO Brc1ccc([C@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235881413 1313414187 /nfs/dbraw/zinc/41/41/87/1313414187.db2.gz FMJBEGVLSZGZJK-GOEBONIOSA-N 1 3 339.277 2.617 20 0 EFADHO CCOC(=O)c1c(C)[nH]c(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC001235884146 1313414332 /nfs/dbraw/zinc/41/43/32/1313414332.db2.gz WOHIPMDGODZPKB-MRXNPFEDSA-N 1 3 333.476 2.772 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960858803 1297703145 /nfs/dbraw/zinc/70/31/45/1297703145.db2.gz AFDVEIKVYNJJMO-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960858803 1297703152 /nfs/dbraw/zinc/70/31/52/1297703152.db2.gz AFDVEIKVYNJJMO-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858774 1297705273 /nfs/dbraw/zinc/70/52/73/1297705273.db2.gz ACKLFOWXKRCXEW-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858774 1297705280 /nfs/dbraw/zinc/70/52/80/1297705280.db2.gz ACKLFOWXKRCXEW-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC000960860886 1297710261 /nfs/dbraw/zinc/71/02/61/1297710261.db2.gz GJHWAARTKFICSV-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC000960860886 1297710271 /nfs/dbraw/zinc/71/02/71/1297710271.db2.gz GJHWAARTKFICSV-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC000960859944 1297711599 /nfs/dbraw/zinc/71/15/99/1297711599.db2.gz CLLHSGGTZVKNKI-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC000960859944 1297711607 /nfs/dbraw/zinc/71/16/07/1297711607.db2.gz CLLHSGGTZVKNKI-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC000960861743 1297712792 /nfs/dbraw/zinc/71/27/92/1297712792.db2.gz HYNMSOJPNZDMHK-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC000960861743 1297712798 /nfs/dbraw/zinc/71/27/98/1297712798.db2.gz HYNMSOJPNZDMHK-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC000960861719 1297712955 /nfs/dbraw/zinc/71/29/55/1297712955.db2.gz HPOWTGABOHSTKX-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC000960861719 1297712962 /nfs/dbraw/zinc/71/29/62/1297712962.db2.gz HPOWTGABOHSTKX-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960861332 1297713524 /nfs/dbraw/zinc/71/35/24/1297713524.db2.gz OBSNDKDQPTVPGY-JKSUJKDBSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960861332 1297713528 /nfs/dbraw/zinc/71/35/28/1297713528.db2.gz OBSNDKDQPTVPGY-JKSUJKDBSA-N 1 3 345.478 2.541 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC000960862498 1297715753 /nfs/dbraw/zinc/71/57/53/1297715753.db2.gz JMWLFVYSPICVFQ-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC000960862498 1297715761 /nfs/dbraw/zinc/71/57/61/1297715761.db2.gz JMWLFVYSPICVFQ-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960865328 1297722793 /nfs/dbraw/zinc/72/27/93/1297722793.db2.gz PVRVZYRDRCYRSM-QAPCUYQASA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960865328 1297722801 /nfs/dbraw/zinc/72/28/01/1297722801.db2.gz PVRVZYRDRCYRSM-QAPCUYQASA-N 1 3 327.488 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960867450 1297724986 /nfs/dbraw/zinc/72/49/86/1297724986.db2.gz XBMKQDLJPYCBLZ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960867450 1297724990 /nfs/dbraw/zinc/72/49/90/1297724990.db2.gz XBMKQDLJPYCBLZ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960873425 1297733880 /nfs/dbraw/zinc/73/38/80/1297733880.db2.gz FSYZMUYCIQYZBS-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960873425 1297733882 /nfs/dbraw/zinc/73/38/82/1297733882.db2.gz FSYZMUYCIQYZBS-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@H+](CC[C@H]1COC(C)(C)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235948212 1313422016 /nfs/dbraw/zinc/42/20/16/1313422016.db2.gz LQEDBRMJHWHFDC-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[N@@H+](CC[C@H]1COC(C)(C)N1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001235948212 1313422019 /nfs/dbraw/zinc/42/20/19/1313422019.db2.gz LQEDBRMJHWHFDC-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960886735 1297746036 /nfs/dbraw/zinc/74/60/36/1297746036.db2.gz ZCNBNQLOEVWKRG-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960886735 1297746040 /nfs/dbraw/zinc/74/60/40/1297746040.db2.gz ZCNBNQLOEVWKRG-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO [NH3+][C@@H](CNC1CCN(Cc2ccc(F)c(F)c2)CC1)CC(F)F ZINC000903926499 1313428373 /nfs/dbraw/zinc/42/83/73/1313428373.db2.gz TVJSVVCXOHPAJG-GFCCVEGCSA-N 1 3 333.373 2.501 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274947 1313429142 /nfs/dbraw/zinc/42/91/42/1313429142.db2.gz NHRJHCZDPGPNMP-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CCC/C=C/CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274966 1313430030 /nfs/dbraw/zinc/43/00/30/1313430030.db2.gz NJHYYGQFLJCAHZ-QWNKOJSDSA-N 1 3 335.536 2.903 20 0 EFADHO Cn1ccc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001206280538 1313430052 /nfs/dbraw/zinc/43/00/52/1313430052.db2.gz SRCLVFFOIGDZTG-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO Cn1ccc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001206280538 1313430055 /nfs/dbraw/zinc/43/00/55/1313430055.db2.gz SRCLVFFOIGDZTG-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001206275212 1313430177 /nfs/dbraw/zinc/43/01/77/1313430177.db2.gz PYRBVKYDFWIFNH-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001206275210 1313430224 /nfs/dbraw/zinc/43/02/24/1313430224.db2.gz PYRBVKYDFWIFNH-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO Fc1c(CN2CCCCC2)cccc1-c1ncc2c(n1)C[NH2+]CC2 ZINC001236003263 1313430207 /nfs/dbraw/zinc/43/02/07/1313430207.db2.gz UTNBXWHKIUVRRQ-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO [NH3+][C@H](CNCC1(c2ccccc2Cl)CCOCC1)CC(F)F ZINC000903923371 1313424970 /nfs/dbraw/zinc/42/49/70/1313424970.db2.gz SASXENBNVGUBGW-LBPRGKRZSA-N 1 3 332.822 2.960 20 0 EFADHO CC[C@H]1c2ccccc2CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236061089 1313435863 /nfs/dbraw/zinc/43/58/63/1313435863.db2.gz UZZANQAJYUBRCV-FQEVSTJZSA-N 1 3 337.467 2.885 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001236080866 1313439370 /nfs/dbraw/zinc/43/93/70/1313439370.db2.gz HCBDYHMFFWXOKB-UHFFFAOYSA-N 1 3 343.446 2.955 20 0 EFADHO Cc1cc(CN2CCC[C@H](N3CC([NH3+])C3)C2)cc(OC(F)(F)F)c1 ZINC001236076983 1313438651 /nfs/dbraw/zinc/43/86/51/1313438651.db2.gz DJQUCSYXTJZREX-HNNXBMFYSA-N 1 3 343.393 2.501 20 0 EFADHO [NH3+]C1CN([C@H]2CCCN(Cc3cccc(SC(F)(F)F)c3)C2)C1 ZINC001236078796 1313439055 /nfs/dbraw/zinc/43/90/55/1313439055.db2.gz PIUMHBNMRDHPRL-AWEZNQCLSA-N 1 3 345.434 2.906 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC001236082551 1313439769 /nfs/dbraw/zinc/43/97/69/1313439769.db2.gz HRJKIMZXOZJCQY-UHFFFAOYSA-N 1 3 343.446 2.955 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(F)cc2)cc1 ZINC001236083024 1313439876 /nfs/dbraw/zinc/43/98/76/1313439876.db2.gz LIXYDAVMYWKAKM-UHFFFAOYSA-N 1 3 327.447 2.830 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017617170 1313440415 /nfs/dbraw/zinc/44/04/15/1313440415.db2.gz IAPYLAMBCXADHP-GBESFXJTSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017617170 1313440418 /nfs/dbraw/zinc/44/04/18/1313440418.db2.gz IAPYLAMBCXADHP-GBESFXJTSA-N 1 3 335.536 2.971 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H](C2CCCCC2)C1 ZINC000903932993 1313440888 /nfs/dbraw/zinc/44/08/88/1313440888.db2.gz JGFBOLQXHKIUJO-ROUUACIJSA-N 1 3 331.508 2.995 20 0 EFADHO Cc1cc(N2CCN(CCCCCC[NH3+])CC2)n(-c2ccccc2)n1 ZINC001236100868 1313440958 /nfs/dbraw/zinc/44/09/58/1313440958.db2.gz JISXBGFQQOBQIR-UHFFFAOYSA-N 1 3 341.503 2.822 20 0 EFADHO CCOc1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1CC ZINC001236128902 1313444597 /nfs/dbraw/zinc/44/45/97/1313444597.db2.gz PZOZTDZZNQYFDH-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO Clc1cccc(Cl)c1CCN1CCC([NH+]2CCNCC2)CC1 ZINC001236127272 1313444761 /nfs/dbraw/zinc/44/47/61/1313444761.db2.gz FELAZAAXLCJWDV-UHFFFAOYSA-N 1 3 342.314 2.906 20 0 EFADHO Clc1cccc2[nH]cc(CN3CCC(N4CC[NH2+]CC4)CC3)c21 ZINC001236128182 1313444817 /nfs/dbraw/zinc/44/48/17/1313444817.db2.gz MWUKILIPFZFXDZ-UHFFFAOYSA-N 1 3 332.879 2.691 20 0 EFADHO CCCCOc1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC001236130951 1313445384 /nfs/dbraw/zinc/44/53/84/1313445384.db2.gz YVYCQDZVWNIJHJ-UHFFFAOYSA-N 1 3 331.504 2.735 20 0 EFADHO Cc1ccc(Cl)c(CN2CCC([NH+]3CCNCC3)CC2)c1F ZINC001236130505 1313445405 /nfs/dbraw/zinc/44/54/05/1313445405.db2.gz VFYVHYOTYLWPBC-UHFFFAOYSA-N 1 3 325.859 2.657 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960978446 1297939822 /nfs/dbraw/zinc/93/98/22/1297939822.db2.gz MNNVHQYZIKPYDR-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960978446 1297939827 /nfs/dbraw/zinc/93/98/27/1297939827.db2.gz MNNVHQYZIKPYDR-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)CC[C@H]1CCCC[NH2+]1 ZINC001236145536 1313446994 /nfs/dbraw/zinc/44/69/94/1313446994.db2.gz DPQXQYXRXJGVRT-IAGOWNOFSA-N 1 3 328.497 2.589 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001017632412 1313447085 /nfs/dbraw/zinc/44/70/85/1313447085.db2.gz HIEXCHOMDGMMDX-JIARVOFWSA-N 1 3 333.520 2.582 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001017632412 1313447086 /nfs/dbraw/zinc/44/70/86/1313447086.db2.gz HIEXCHOMDGMMDX-JIARVOFWSA-N 1 3 333.520 2.582 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206401275 1313448330 /nfs/dbraw/zinc/44/83/30/1313448330.db2.gz DIBAGGCRAUPUGK-UHFFFAOYSA-N 1 3 332.492 2.751 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCCCC(F)(F)F)CC1 ZINC001206404338 1313448821 /nfs/dbraw/zinc/44/88/21/1313448821.db2.gz YXRPEZYCHAWEHC-UHFFFAOYSA-N 1 3 346.397 2.513 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026802 1298023265 /nfs/dbraw/zinc/02/32/65/1298023265.db2.gz GSWDZNJTUYREKJ-IBGZPJMESA-N 1 3 347.478 2.653 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026802 1298023275 /nfs/dbraw/zinc/02/32/75/1298023275.db2.gz GSWDZNJTUYREKJ-IBGZPJMESA-N 1 3 347.478 2.653 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961027904 1298025876 /nfs/dbraw/zinc/02/58/76/1298025876.db2.gz LYQAVVUOEVXOBR-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961027904 1298025882 /nfs/dbraw/zinc/02/58/82/1298025882.db2.gz LYQAVVUOEVXOBR-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000961031073 1298034477 /nfs/dbraw/zinc/03/44/77/1298034477.db2.gz IFCHSGDAXBRKSC-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000961031073 1298034485 /nfs/dbraw/zinc/03/44/85/1298034485.db2.gz IFCHSGDAXBRKSC-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961031783 1298037428 /nfs/dbraw/zinc/03/74/28/1298037428.db2.gz ZWZHPRBKLWKMGG-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961031783 1298037440 /nfs/dbraw/zinc/03/74/40/1298037440.db2.gz ZWZHPRBKLWKMGG-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000961033057 1298038042 /nfs/dbraw/zinc/03/80/42/1298038042.db2.gz YBWSXBROKXKYJF-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000961033057 1298038051 /nfs/dbraw/zinc/03/80/51/1298038051.db2.gz YBWSXBROKXKYJF-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000961032951 1298039684 /nfs/dbraw/zinc/03/96/84/1298039684.db2.gz XCZDZVGANYDVPQ-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000961032951 1298039689 /nfs/dbraw/zinc/03/96/89/1298039689.db2.gz XCZDZVGANYDVPQ-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037271 1298049655 /nfs/dbraw/zinc/04/96/55/1298049655.db2.gz SDDDXKZXCOOJND-QFBILLFUSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037271 1298049665 /nfs/dbraw/zinc/04/96/65/1298049665.db2.gz SDDDXKZXCOOJND-QFBILLFUSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000948775805 1298061632 /nfs/dbraw/zinc/06/16/32/1298061632.db2.gz RHCXPLXZBXOESC-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000948775805 1298061653 /nfs/dbraw/zinc/06/16/53/1298061653.db2.gz RHCXPLXZBXOESC-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000948775769 1298063479 /nfs/dbraw/zinc/06/34/79/1298063479.db2.gz QFTDKTHWVILRNU-PLHDSQEVSA-N 1 3 327.900 2.536 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000948775769 1298063489 /nfs/dbraw/zinc/06/34/89/1298063489.db2.gz QFTDKTHWVILRNU-PLHDSQEVSA-N 1 3 327.900 2.536 20 0 EFADHO Nc1ccc2c(c1)CN(Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001236235084 1313458607 /nfs/dbraw/zinc/45/86/07/1313458607.db2.gz VIUHSUKEFBLYNV-UHFFFAOYSA-N 1 3 332.451 2.885 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017657802 1313459287 /nfs/dbraw/zinc/45/92/87/1313459287.db2.gz SQCJOOUVSCDRFE-OKZBNKHCSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017657800 1313459342 /nfs/dbraw/zinc/45/93/42/1313459342.db2.gz SQCJOOUVSCDRFE-KURKYZTESA-N 1 3 333.520 2.584 20 0 EFADHO Cn1c2ccccc2c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c1-c1ccccc1 ZINC001206476995 1313460891 /nfs/dbraw/zinc/46/08/91/1313460891.db2.gz ZXRIEKPSDSEOAD-OXJNMPFZSA-N 1 3 335.451 2.597 20 0 EFADHO COc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236317432 1313468455 /nfs/dbraw/zinc/46/84/55/1313468455.db2.gz XLCKZNDTSAQCCC-OKILXGFUSA-N 1 3 339.277 2.889 20 0 EFADHO Brc1ccc2[nH]c(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236322011 1313469019 /nfs/dbraw/zinc/46/90/19/1313469019.db2.gz RKCOLDNQXYYYCC-TXEJJXNPSA-N 1 3 349.276 2.757 20 0 EFADHO COc1cc(Br)ccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320735 1313469149 /nfs/dbraw/zinc/46/91/49/1313469149.db2.gz CWLIGOHKSQPPEP-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO c1c([C@@H]2CNCCO2)cn2c1cccc2-c1cccc2c1CC[NH2+]C2 ZINC001236352700 1313473190 /nfs/dbraw/zinc/47/31/90/1313473190.db2.gz IQSZXAOPDUNAFD-NRFANRHFSA-N 1 3 333.435 2.913 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049913093 1313474935 /nfs/dbraw/zinc/47/49/35/1313474935.db2.gz ALFNLJUEDZPTMP-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)N1CCCCC1 ZINC001049913093 1313474938 /nfs/dbraw/zinc/47/49/38/1313474938.db2.gz ALFNLJUEDZPTMP-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[C@@H]1N ZINC001236412560 1313477684 /nfs/dbraw/zinc/47/76/84/1313477684.db2.gz WSRDLMHAYVGLEP-HOTGVXAUSA-N 1 3 343.471 2.788 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3[nH]c2C(C)(C)C)CC[C@@H]1N ZINC001236412560 1313477687 /nfs/dbraw/zinc/47/76/87/1313477687.db2.gz WSRDLMHAYVGLEP-HOTGVXAUSA-N 1 3 343.471 2.788 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178253 1298255310 /nfs/dbraw/zinc/25/53/10/1298255310.db2.gz CGNLMVZPSVAQAK-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178253 1298255317 /nfs/dbraw/zinc/25/53/17/1298255317.db2.gz CGNLMVZPSVAQAK-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181364 1298260040 /nfs/dbraw/zinc/26/00/40/1298260040.db2.gz JKXBCDHOSNTWPI-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181364 1298260044 /nfs/dbraw/zinc/26/00/44/1298260044.db2.gz JKXBCDHOSNTWPI-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001049918806 1313483950 /nfs/dbraw/zinc/48/39/50/1313483950.db2.gz MQPGZLYGHISNAH-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049918806 1313483953 /nfs/dbraw/zinc/48/39/53/1313483953.db2.gz MQPGZLYGHISNAH-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001206621768 1313485105 /nfs/dbraw/zinc/48/51/05/1313485105.db2.gz GRLDQBXOINQTGH-UHFFFAOYSA-N 1 3 329.504 2.686 20 0 EFADHO CCn1c2ccccc2nc1N1CCN(CCCCCC[NH3+])CC1 ZINC001236533514 1313489436 /nfs/dbraw/zinc/48/94/36/1313489436.db2.gz VCEQTKDIIAHIMK-UHFFFAOYSA-N 1 3 329.492 2.697 20 0 EFADHO Cc1cc(CN2CCCC[C@]3(CC[NH2+]C3)C2)ccc1-n1cncn1 ZINC000903959615 1313491051 /nfs/dbraw/zinc/49/10/51/1313491051.db2.gz KWSOIYUKEXTLOL-LJQANCHMSA-N 1 3 325.460 2.541 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CC4CC4)C3)C2)C1 ZINC000961228175 1298368893 /nfs/dbraw/zinc/36/88/93/1298368893.db2.gz GESRIOJYNIJZRJ-MOPGFXCFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CC4CC4)C3)C2)C1 ZINC000961228175 1298368907 /nfs/dbraw/zinc/36/89/07/1298368907.db2.gz GESRIOJYNIJZRJ-MOPGFXCFSA-N 1 3 347.547 2.689 20 0 EFADHO [NH3+]C1CCN([C@@H]2CCN(Cc3c[nH]c4cccc(Cl)c34)C2)CC1 ZINC001236620742 1313499853 /nfs/dbraw/zinc/49/98/53/1313499853.db2.gz CULAGRSDYGCEKK-OAHLLOKOSA-N 1 3 332.879 2.819 20 0 EFADHO Cc1cccc(O[C@@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)n1 ZINC001236662185 1313504742 /nfs/dbraw/zinc/50/47/42/1313504742.db2.gz AGPPODHJCVZAFS-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO Cc1cccnc1O[C@@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001236666190 1313505768 /nfs/dbraw/zinc/50/57/68/1313505768.db2.gz YGASYXWHDXGOHT-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO CC(C)(C)OC(=O)NCCN(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236670995 1313506399 /nfs/dbraw/zinc/50/63/99/1313506399.db2.gz ALPVSDREBRGIQI-JCNLHEQBSA-N 1 3 348.491 2.678 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000961262021 1298444258 /nfs/dbraw/zinc/44/42/58/1298444258.db2.gz OBXVGPPPPVCULV-PMACEKPBSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000961262021 1298444262 /nfs/dbraw/zinc/44/42/62/1298444262.db2.gz OBXVGPPPPVCULV-PMACEKPBSA-N 1 3 347.547 2.689 20 0 EFADHO O[C@@]1(C(F)(F)F)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206811499 1313514733 /nfs/dbraw/zinc/51/47/33/1313514733.db2.gz VMJVBWDVZKDHFE-INIZCTEOSA-N 1 3 328.378 2.612 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605087 1313508527 /nfs/dbraw/zinc/50/85/27/1313508527.db2.gz ACVLVANBVGXHAQ-NEWSRXKRSA-N 1 3 329.488 2.883 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605087 1313508528 /nfs/dbraw/zinc/50/85/28/1313508528.db2.gz ACVLVANBVGXHAQ-NEWSRXKRSA-N 1 3 329.488 2.883 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001096605169 1313509950 /nfs/dbraw/zinc/50/99/50/1313509950.db2.gz DJUUSWGZWGXEBN-HOJAQTOUSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001096605169 1313509952 /nfs/dbraw/zinc/50/99/52/1313509952.db2.gz DJUUSWGZWGXEBN-HOJAQTOUSA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295091 1298514487 /nfs/dbraw/zinc/51/44/87/1298514487.db2.gz XCLWPOLEELQLMO-UXHICEINSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295091 1298514505 /nfs/dbraw/zinc/51/45/05/1298514505.db2.gz XCLWPOLEELQLMO-UXHICEINSA-N 1 3 343.515 2.942 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001276496967 1313520562 /nfs/dbraw/zinc/52/05/62/1313520562.db2.gz OECNXLIVEXSYDR-YRPNKDGESA-N 1 3 343.515 2.526 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001276496967 1313520565 /nfs/dbraw/zinc/52/05/65/1313520565.db2.gz OECNXLIVEXSYDR-YRPNKDGESA-N 1 3 343.515 2.526 20 0 EFADHO c1c[nH]c(C[N@@H+]2CCCC3(CCN(Cc4cncnc4)CC3)C2)c1 ZINC001276303153 1298552699 /nfs/dbraw/zinc/55/26/99/1298552699.db2.gz VZHZXEXVNKKCSV-UHFFFAOYSA-N 1 3 325.460 2.683 20 0 EFADHO c1c[nH]c(C[N@H+]2CCCC3(CCN(Cc4cncnc4)CC3)C2)c1 ZINC001276303153 1298552709 /nfs/dbraw/zinc/55/27/09/1298552709.db2.gz VZHZXEXVNKKCSV-UHFFFAOYSA-N 1 3 325.460 2.683 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001017767636 1313518751 /nfs/dbraw/zinc/51/87/51/1313518751.db2.gz QYCFQWJQJPGWDR-FUODXZFOSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)(C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)(C)C1)C2)[NH+]1CCCC1 ZINC001017790579 1313533482 /nfs/dbraw/zinc/53/34/82/1313533482.db2.gz HXLDIVDQSWIHPG-HDICACEKSA-N 1 3 347.547 2.972 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CCC1 ZINC000961374945 1298641425 /nfs/dbraw/zinc/64/14/25/1298641425.db2.gz MEWOHJBHXSIOBQ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CCC1 ZINC000961374945 1298641433 /nfs/dbraw/zinc/64/14/33/1298641433.db2.gz MEWOHJBHXSIOBQ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375003 1298642064 /nfs/dbraw/zinc/64/20/64/1298642064.db2.gz NMNMQJBSXKSFKD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961375003 1298642073 /nfs/dbraw/zinc/64/20/73/1298642073.db2.gz NMNMQJBSXKSFKD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+](CC4CC4)C3)CC2)CCC1 ZINC000961377574 1298649150 /nfs/dbraw/zinc/64/91/50/1298649150.db2.gz XNJIKENFGPFNKR-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+](CC4CC4)C3)CC2)CCC1 ZINC000961377574 1298649163 /nfs/dbraw/zinc/64/91/63/1298649163.db2.gz XNJIKENFGPFNKR-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO Fc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980738 1313531921 /nfs/dbraw/zinc/53/19/21/1313531921.db2.gz YZCLCOHXVYBBTD-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017790913 1313533340 /nfs/dbraw/zinc/53/33/40/1313533340.db2.gz LYACHQSFPMLPHC-HDICACEKSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292290 1314470310 /nfs/dbraw/zinc/47/03/10/1314470310.db2.gz LMHULMIVRBXNJR-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400512 1298691292 /nfs/dbraw/zinc/69/12/92/1298691292.db2.gz HKMOXRGGSIMMHA-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400512 1298691296 /nfs/dbraw/zinc/69/12/96/1298691296.db2.gz HKMOXRGGSIMMHA-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961409965 1298705455 /nfs/dbraw/zinc/70/54/55/1298705455.db2.gz DHXDRMMDXIQJRD-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961409965 1298705468 /nfs/dbraw/zinc/70/54/68/1298705468.db2.gz DHXDRMMDXIQJRD-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410238 1298705809 /nfs/dbraw/zinc/70/58/09/1298705809.db2.gz FSOWJBQEWPBJFQ-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961410238 1298705814 /nfs/dbraw/zinc/70/58/14/1298705814.db2.gz FSOWJBQEWPBJFQ-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000961416485 1298715639 /nfs/dbraw/zinc/71/56/39/1298715639.db2.gz MPAJTWHBJWOGPI-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000961416485 1298715646 /nfs/dbraw/zinc/71/56/46/1298715646.db2.gz MPAJTWHBJWOGPI-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001206890553 1313541505 /nfs/dbraw/zinc/54/15/05/1313541505.db2.gz XMKYNAKRIYOFCG-JXMROGBWSA-N 1 3 343.515 2.870 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000961436848 1298746460 /nfs/dbraw/zinc/74/64/60/1298746460.db2.gz WSWSWUFFMDPAPQ-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961436848 1298746468 /nfs/dbraw/zinc/74/64/68/1298746468.db2.gz WSWSWUFFMDPAPQ-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO COc1cc(C)c(C)cc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001278020199 1313544261 /nfs/dbraw/zinc/54/42/61/1313544261.db2.gz DKPBSXCHMSWOLG-UHFFFAOYSA-N 1 3 345.531 2.771 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cccnc1C ZINC001490309228 1298751893 /nfs/dbraw/zinc/75/18/93/1298751893.db2.gz ILEMHRLEQPZLPZ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236975187 1313564212 /nfs/dbraw/zinc/56/42/12/1313564212.db2.gz HKQPPOXREVSNEJ-IAGOWNOFSA-N 1 3 341.421 2.735 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236975187 1313564215 /nfs/dbraw/zinc/56/42/15/1313564215.db2.gz HKQPPOXREVSNEJ-IAGOWNOFSA-N 1 3 341.421 2.735 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001206951289 1313568302 /nfs/dbraw/zinc/56/83/02/1313568302.db2.gz JCPPBULJTFBSAM-BJMVGYQFSA-N 1 3 349.906 2.943 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001206951506 1313568343 /nfs/dbraw/zinc/56/83/43/1313568343.db2.gz UXKGFAKMGARKNC-UHFFFAOYSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001206951422 1313568619 /nfs/dbraw/zinc/56/86/19/1313568619.db2.gz QAKQDFBNAWILOY-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001206952204 1313568891 /nfs/dbraw/zinc/56/88/91/1313568891.db2.gz CWWRZRYOHHMHKP-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953386 1313569231 /nfs/dbraw/zinc/56/92/31/1313569231.db2.gz HMIHDIKBZGSTFD-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cs1 ZINC001206954519 1313570290 /nfs/dbraw/zinc/57/02/90/1313570290.db2.gz LQYLNSZABVGMEE-UHFFFAOYSA-N 1 3 337.533 2.725 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001490668685 1299066638 /nfs/dbraw/zinc/06/66/38/1299066638.db2.gz RNSZBQWCKXZDNS-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC000961771075 1299104881 /nfs/dbraw/zinc/10/48/81/1299104881.db2.gz JLTILDBQKMPOBT-RBAQFSTRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC000961771075 1299104888 /nfs/dbraw/zinc/10/48/88/1299104888.db2.gz JLTILDBQKMPOBT-RBAQFSTRSA-N 1 3 347.547 2.878 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001110615145 1299107090 /nfs/dbraw/zinc/10/70/90/1299107090.db2.gz HJCBHBCPBHKRNU-VQHPVUNQSA-N 1 3 345.478 2.528 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110615145 1299107096 /nfs/dbraw/zinc/10/70/96/1299107096.db2.gz HJCBHBCPBHKRNU-VQHPVUNQSA-N 1 3 345.478 2.528 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCC4CCCCCC4)C[C@H]32)C1 ZINC000961791149 1299115762 /nfs/dbraw/zinc/11/57/62/1299115762.db2.gz SRNXGYQPULBMPH-XFIJJGBISA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CCCCCC4)C[C@H]32)C1 ZINC000961791149 1299115776 /nfs/dbraw/zinc/11/57/76/1299115776.db2.gz SRNXGYQPULBMPH-XFIJJGBISA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000961827792 1299144440 /nfs/dbraw/zinc/14/44/40/1299144440.db2.gz CXPKKFGTIYYHRZ-VJFUWPCTSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1cccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC000961829587 1299145196 /nfs/dbraw/zinc/14/51/96/1299145196.db2.gz PRYUOOZTHKGWNT-MHJFOBGBSA-N 1 3 343.515 2.852 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490774549 1299233222 /nfs/dbraw/zinc/23/32/22/1299233222.db2.gz IYYBBDCWSPQNST-LYLYKKCESA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000961945489 1299263528 /nfs/dbraw/zinc/26/35/28/1299263528.db2.gz NPGFRCBUWZZDPF-XWTMOSNGSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000961945489 1299263538 /nfs/dbraw/zinc/26/35/38/1299263538.db2.gz NPGFRCBUWZZDPF-XWTMOSNGSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000961948619 1299266373 /nfs/dbraw/zinc/26/63/73/1299266373.db2.gz TXWPHOXDHKRQTO-WCIQWLHISA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000961948619 1299266385 /nfs/dbraw/zinc/26/63/85/1299266385.db2.gz TXWPHOXDHKRQTO-WCIQWLHISA-N 1 3 345.531 2.796 20 0 EFADHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3cccc(N)c3)CC2)C1 ZINC001237218301 1313607745 /nfs/dbraw/zinc/60/77/45/1313607745.db2.gz HJAATIINUMALCB-KRWDZBQOSA-N 1 3 345.487 2.508 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCCC1 ZINC000961956336 1299272569 /nfs/dbraw/zinc/27/25/69/1299272569.db2.gz HSQVUFLLCZWITF-YSHGAJCASA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCCC1 ZINC000961956336 1299272577 /nfs/dbraw/zinc/27/25/77/1299272577.db2.gz HSQVUFLLCZWITF-YSHGAJCASA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21)[NH+]1CCCCCC1 ZINC000961957913 1299272728 /nfs/dbraw/zinc/27/27/28/1299272728.db2.gz LHIOHUQHFVEIBY-DZJNRPSUSA-N 1 3 347.528 2.559 20 0 EFADHO CN(Cc1ccccc1N1CC[NH2+]CC1)C[C@@H]1Cc2ccccc2O1 ZINC001237265629 1313613890 /nfs/dbraw/zinc/61/38/90/1313613890.db2.gz QLJPXNAOYSOPEU-IBGZPJMESA-N 1 3 337.467 2.532 20 0 EFADHO c1ccc2ncc(CC3CC[NH+](CC[C@H]4CNCCO4)CC3)cc2c1 ZINC001237259728 1313614238 /nfs/dbraw/zinc/61/42/38/1313614238.db2.gz XJDUAJXEECAUBT-FQEVSTJZSA-N 1 3 339.483 2.868 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccc(F)n1 ZINC000851801988 1299405269 /nfs/dbraw/zinc/40/52/69/1299405269.db2.gz BHMXNOPLGXRUIA-UHFFFAOYSA-N 1 3 348.510 2.849 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000851809546 1299409837 /nfs/dbraw/zinc/40/98/37/1299409837.db2.gz RRQLZLINSDKBGA-OKZBNKHCSA-N 1 3 338.492 2.649 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000851809546 1299409839 /nfs/dbraw/zinc/40/98/39/1299409839.db2.gz RRQLZLINSDKBGA-OKZBNKHCSA-N 1 3 338.492 2.649 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000851809542 1299410568 /nfs/dbraw/zinc/41/05/68/1299410568.db2.gz RRQLZLINSDKBGA-BZSNNMDCSA-N 1 3 338.492 2.649 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000851809542 1299410580 /nfs/dbraw/zinc/41/05/80/1299410580.db2.gz RRQLZLINSDKBGA-BZSNNMDCSA-N 1 3 338.492 2.649 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC000962305237 1299564861 /nfs/dbraw/zinc/56/48/61/1299564861.db2.gz FBPHDTLYQGVHLC-KTAKPFMOSA-N 1 3 335.517 2.525 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000962306601 1299567435 /nfs/dbraw/zinc/56/74/35/1299567435.db2.gz PHEFRWGLMGQIGD-HJOIGYKYSA-N 1 3 333.520 2.535 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000962307366 1299568686 /nfs/dbraw/zinc/56/86/86/1299568686.db2.gz QYAJTQZHQWCKOA-HJOIGYKYSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000962307502 1299569317 /nfs/dbraw/zinc/56/93/17/1299569317.db2.gz ULZXZZVCLDWKKU-PGYGNJIDSA-N 1 3 343.515 2.772 20 0 EFADHO CCc1cccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000962309224 1299572287 /nfs/dbraw/zinc/57/22/87/1299572287.db2.gz LXBFANLCEXILQQ-PBPGXSGUSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000962310496 1299572977 /nfs/dbraw/zinc/57/29/77/1299572977.db2.gz WVVYMUJXBSUTLL-VMEOHVCESA-N 1 3 343.515 2.630 20 0 EFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](CCC3CCCC3)CC2)C1 ZINC001276513418 1313632019 /nfs/dbraw/zinc/63/20/19/1313632019.db2.gz MKWCDJMFRJJMMB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962384948 1299648264 /nfs/dbraw/zinc/64/82/64/1299648264.db2.gz KANMDFDKEUZSLI-CTWPCTMYSA-N 1 3 335.536 2.924 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)cc(Cl)c2)CCC12C[NH2+]C2 ZINC001237432186 1313642805 /nfs/dbraw/zinc/64/28/05/1313642805.db2.gz UMFQJBRTVAVXMW-INIZCTEOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(C)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237429123 1313642870 /nfs/dbraw/zinc/64/28/70/1313642870.db2.gz DFLJUPZEPBHVPQ-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2ccc(F)c(C3CC3)c2)CCC12C[NH2+]C2 ZINC001237437233 1313644225 /nfs/dbraw/zinc/64/42/25/1313644225.db2.gz UCJFPEULAFBRLN-QGZVFWFLSA-N 1 3 346.446 2.678 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001207246702 1313644951 /nfs/dbraw/zinc/64/49/51/1313644951.db2.gz DIKZBXFCGBZMBS-MRXNPFEDSA-N 1 3 337.508 2.661 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207262219 1313648027 /nfs/dbraw/zinc/64/80/27/1313648027.db2.gz FEQKPYFNSKOGSR-NZSAHSFTSA-N 1 3 349.494 2.611 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207262219 1313648028 /nfs/dbraw/zinc/64/80/28/1313648028.db2.gz FEQKPYFNSKOGSR-NZSAHSFTSA-N 1 3 349.494 2.611 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018027582 1313648343 /nfs/dbraw/zinc/64/83/43/1313648343.db2.gz XCLRELAMGBDYDY-CADBVGFASA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018027589 1313648373 /nfs/dbraw/zinc/64/83/73/1313648373.db2.gz XCLRELAMGBDYDY-ZSYWTGECSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001207275933 1313649353 /nfs/dbraw/zinc/64/93/53/1313649353.db2.gz RCRPCZJUNRIZTH-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001207275933 1313649356 /nfs/dbraw/zinc/64/93/56/1313649356.db2.gz RCRPCZJUNRIZTH-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001207275935 1313649392 /nfs/dbraw/zinc/64/93/92/1313649392.db2.gz RCRPCZJUNRIZTH-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001207275935 1313649397 /nfs/dbraw/zinc/64/93/97/1313649397.db2.gz RCRPCZJUNRIZTH-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001207283128 1313651742 /nfs/dbraw/zinc/65/17/42/1313651742.db2.gz SQEXNFAFLDKVMG-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC001207258705 1313647004 /nfs/dbraw/zinc/64/70/04/1313647004.db2.gz DEWZWMNFSKHZFE-QYZOEREBSA-N 1 3 331.508 2.643 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]21 ZINC001207258705 1313647007 /nfs/dbraw/zinc/64/70/07/1313647007.db2.gz DEWZWMNFSKHZFE-QYZOEREBSA-N 1 3 331.508 2.643 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000962599403 1299857813 /nfs/dbraw/zinc/85/78/13/1299857813.db2.gz ZPSFKGFSNTUZMO-UHFFFAOYSA-N 1 3 344.503 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@H](C)c2ccccc2)C1 ZINC000962603999 1299864612 /nfs/dbraw/zinc/86/46/12/1299864612.db2.gz YPOJIRSGZSEGGU-BZOOQXSSSA-N 1 3 326.444 2.506 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)CC(C)(C)C[NH+](C)C ZINC001207287835 1313653380 /nfs/dbraw/zinc/65/33/80/1313653380.db2.gz GUKNCOJCQDMLCC-INIZCTEOSA-N 1 3 330.513 2.645 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852860875 1299916985 /nfs/dbraw/zinc/91/69/85/1299916985.db2.gz XEPAOPULUKYOOC-UHFFFAOYSA-N 1 3 325.412 2.612 20 0 EFADHO CN(C(=O)c1cccc2c1CNC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000852866404 1299919539 /nfs/dbraw/zinc/91/95/39/1299919539.db2.gz WPVZCFUNSSTTFT-UHFFFAOYSA-N 1 3 339.439 2.507 20 0 EFADHO COC(=O)c1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)cc1OC ZINC001276523473 1313659562 /nfs/dbraw/zinc/65/95/62/1313659562.db2.gz ONQMOPNVDVAXQJ-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO COC(=O)c1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)cc1OC ZINC001276523473 1313659566 /nfs/dbraw/zinc/65/95/66/1313659566.db2.gz ONQMOPNVDVAXQJ-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018051816 1313659880 /nfs/dbraw/zinc/65/98/80/1313659880.db2.gz JBGYXCNJRSUKMK-INDMIFKZSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018051816 1313659884 /nfs/dbraw/zinc/65/98/84/1313659884.db2.gz JBGYXCNJRSUKMK-INDMIFKZSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CC1CC[NH+](C)CC1 ZINC001207399386 1313675643 /nfs/dbraw/zinc/67/56/43/1313675643.db2.gz LJEKPWKFBRLDQY-GJZGRUSLSA-N 1 3 325.497 2.658 20 0 EFADHO C[NH+]1CCC(CN2CCC3(CC2)CC(=O)c2cc(F)ccc2O3)CC1 ZINC001207399981 1313676455 /nfs/dbraw/zinc/67/64/55/1313676455.db2.gz ZVYQFHIDMNMQIZ-UHFFFAOYSA-N 1 3 346.446 2.967 20 0 EFADHO C[NH+]1CCC(CN2CCCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207395861 1313674286 /nfs/dbraw/zinc/67/42/86/1313674286.db2.gz ZCCFWEUTRPDXSQ-UHFFFAOYSA-N 1 3 337.508 2.804 20 0 EFADHO C[NH+]1CCC(CN2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)CC1 ZINC001207398631 1313674960 /nfs/dbraw/zinc/67/49/60/1313674960.db2.gz FCOSCWFLJQOWOG-UHFFFAOYSA-N 1 3 325.497 2.660 20 0 EFADHO C[NH+]1CCC(CCN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001207485569 1313698323 /nfs/dbraw/zinc/69/83/23/1313698323.db2.gz WWXMSJJZEXLILW-ZDUSSCGKSA-N 1 3 346.397 3.000 20 0 EFADHO C[NH+]1CCC(CCN2CCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207481489 1313696633 /nfs/dbraw/zinc/69/66/33/1313696633.db2.gz IWFXSEYQXSXQNB-UHFFFAOYSA-N 1 3 337.508 2.804 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018131625 1313702606 /nfs/dbraw/zinc/70/26/06/1313702606.db2.gz AAGMWYBRXOVMCD-YTQUADARSA-N 1 3 335.536 2.828 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110684733 1300547791 /nfs/dbraw/zinc/54/77/91/1300547791.db2.gz WNDPKELSNVGXEV-NMLBUPMWSA-N 1 3 341.499 2.783 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110684733 1300547793 /nfs/dbraw/zinc/54/77/93/1300547793.db2.gz WNDPKELSNVGXEV-NMLBUPMWSA-N 1 3 341.499 2.783 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314700 1300579254 /nfs/dbraw/zinc/57/92/54/1300579254.db2.gz OKFRXOSGXXAYHD-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314700 1300579263 /nfs/dbraw/zinc/57/92/63/1300579263.db2.gz OKFRXOSGXXAYHD-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CC2)C1)C1CCC1 ZINC000963315755 1300582059 /nfs/dbraw/zinc/58/20/59/1300582059.db2.gz XRYICEVROLAGDI-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1)C1CCC1 ZINC000963315755 1300582065 /nfs/dbraw/zinc/58/20/65/1300582065.db2.gz XRYICEVROLAGDI-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC000963358595 1300679901 /nfs/dbraw/zinc/67/99/01/1300679901.db2.gz VBIMTLPUZQIYRT-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC000963358595 1300679904 /nfs/dbraw/zinc/67/99/04/1300679904.db2.gz VBIMTLPUZQIYRT-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC000963358596 1300680353 /nfs/dbraw/zinc/68/03/53/1300680353.db2.gz VBIMTLPUZQIYRT-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC000963358596 1300680362 /nfs/dbraw/zinc/68/03/62/1300680362.db2.gz VBIMTLPUZQIYRT-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001207553376 1313715140 /nfs/dbraw/zinc/71/51/40/1313715140.db2.gz FRVFWNFGGIZOTO-PJSAGSTRSA-N 1 3 349.544 2.642 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001207553376 1313715144 /nfs/dbraw/zinc/71/51/44/1313715144.db2.gz FRVFWNFGGIZOTO-PJSAGSTRSA-N 1 3 349.544 2.642 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CNC(=O)C4)CC3)cc21 ZINC001237881841 1313726152 /nfs/dbraw/zinc/72/61/52/1313726152.db2.gz WMEQZKGAUGRGRD-UHFFFAOYSA-N 1 3 339.483 2.790 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3CCC(F)CC3)CC2)CC1 ZINC001278159987 1313727650 /nfs/dbraw/zinc/72/76/50/1313727650.db2.gz ZENOCQSPSDEPDS-UHFFFAOYSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(CCN[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246271633 1301025973 /nfs/dbraw/zinc/02/59/73/1301025973.db2.gz ATECENPRKDJDSI-CVEARBPZSA-N 1 3 327.513 2.953 20 0 EFADHO CCCN(CCN[C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246271633 1301025987 /nfs/dbraw/zinc/02/59/87/1301025987.db2.gz ATECENPRKDJDSI-CVEARBPZSA-N 1 3 327.513 2.953 20 0 EFADHO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641371 1313737380 /nfs/dbraw/zinc/73/73/80/1313737380.db2.gz JOMIKGSKSCQJDU-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641371 1313737385 /nfs/dbraw/zinc/73/73/85/1313737385.db2.gz JOMIKGSKSCQJDU-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000963788948 1301315264 /nfs/dbraw/zinc/31/52/64/1301315264.db2.gz ULQRBLHCEREHAA-WZXTXQKWSA-N 1 3 333.520 2.676 20 0 EFADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502463 1301658677 /nfs/dbraw/zinc/65/86/77/1301658677.db2.gz CWHSVOZIEFMHMO-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018311033 1313805679 /nfs/dbraw/zinc/80/56/79/1313805679.db2.gz XPDRPCDKAQKITI-INDMIFKZSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1ccc(CN2C[C@H]3C[NH+](C[C@H]4COC(C)(C)O4)C[C@@H]3C2)cc1 ZINC001207923147 1313803179 /nfs/dbraw/zinc/80/31/79/1313803179.db2.gz FMBIPKBKQQVDDP-FHWLQOOXSA-N 1 3 330.472 2.510 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1)N1CCCCC1 ZINC001208050277 1313834709 /nfs/dbraw/zinc/83/47/09/1313834709.db2.gz XGUQCVRBIXQVHX-KRWDZBQOSA-N 1 3 341.515 2.971 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208074311 1313840675 /nfs/dbraw/zinc/84/06/75/1313840675.db2.gz UKFQGQAXWKLLKF-UJMCGIGNSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208074311 1313840679 /nfs/dbraw/zinc/84/06/79/1313840679.db2.gz UKFQGQAXWKLLKF-UJMCGIGNSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208073483 1313841113 /nfs/dbraw/zinc/84/11/13/1313841113.db2.gz CEBWNPVRYQDOBC-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208073483 1313841114 /nfs/dbraw/zinc/84/11/14/1313841114.db2.gz CEBWNPVRYQDOBC-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO c1cnn(CCC[NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)c1 ZINC001208075869 1313841540 /nfs/dbraw/zinc/84/15/40/1313841540.db2.gz UEYGGMMPJFFDMZ-UHFFFAOYSA-N 1 3 339.487 2.656 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001097085848 1313844739 /nfs/dbraw/zinc/84/47/39/1313844739.db2.gz QVEMWEJTVGZDRQ-WTGUMLROSA-N 1 3 343.515 2.550 20 0 EFADHO C[NH+]1CCC(C)(CN2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001208112804 1313850410 /nfs/dbraw/zinc/85/04/10/1313850410.db2.gz ZHPPYUUOPBUIGK-MRXNPFEDSA-N 1 3 347.478 2.752 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@@H+]1C ZINC001097106649 1313855356 /nfs/dbraw/zinc/85/53/56/1313855356.db2.gz YWBSLLZBDQUEIC-IVDHNXQLSA-N 1 3 345.531 2.939 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@H+]1C ZINC001097106649 1313855359 /nfs/dbraw/zinc/85/53/59/1313855359.db2.gz YWBSLLZBDQUEIC-IVDHNXQLSA-N 1 3 345.531 2.939 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)SC)CC2)C1 ZINC001208142248 1313855489 /nfs/dbraw/zinc/85/54/89/1313855489.db2.gz NYAHLVKZWFAPMQ-HZPDHXFCSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@@H](C)SC)CC2)C1 ZINC001208142248 1313855493 /nfs/dbraw/zinc/85/54/93/1313855493.db2.gz NYAHLVKZWFAPMQ-HZPDHXFCSA-N 1 3 342.549 2.868 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CCCC1 ZINC001208187707 1313864298 /nfs/dbraw/zinc/86/42/98/1313864298.db2.gz NYCFYMUFLNGDDQ-HZPDHXFCSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CCCC1 ZINC001208187707 1313864300 /nfs/dbraw/zinc/86/43/00/1313864300.db2.gz NYCFYMUFLNGDDQ-HZPDHXFCSA-N 1 3 337.508 2.660 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000246849115 1302734905 /nfs/dbraw/zinc/73/49/05/1302734905.db2.gz BIFBFBPSJRCMGI-GOEBONIOSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000246849115 1302734917 /nfs/dbraw/zinc/73/49/17/1302734917.db2.gz BIFBFBPSJRCMGI-GOEBONIOSA-N 1 3 325.497 2.706 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184085 1313864076 /nfs/dbraw/zinc/86/40/76/1313864076.db2.gz IMCBKKQXYXTSBQ-DZGCQCFKSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H](F)[C@@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184085 1313864078 /nfs/dbraw/zinc/86/40/78/1313864078.db2.gz IMCBKKQXYXTSBQ-DZGCQCFKSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208187701 1313864835 /nfs/dbraw/zinc/86/48/35/1313864835.db2.gz NYCFYMUFLNGDDQ-CVEARBPZSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)CCCC1 ZINC001208187701 1313864837 /nfs/dbraw/zinc/86/48/37/1313864837.db2.gz NYCFYMUFLNGDDQ-CVEARBPZSA-N 1 3 337.508 2.660 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CCCC1 ZINC001208187158 1313864904 /nfs/dbraw/zinc/86/49/04/1313864904.db2.gz RFHKECKAIXVKQO-GOSISDBHSA-N 1 3 347.547 2.879 20 0 EFADHO CC(=O)N1CCCC[C@@]12CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208187499 1313865002 /nfs/dbraw/zinc/86/50/02/1313865002.db2.gz XPGHSBHHDVDSAT-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO COc1ccc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188809 1313865388 /nfs/dbraw/zinc/86/53/88/1313865388.db2.gz NTXAUWSLPODHFU-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO COc1ccc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188809 1313865392 /nfs/dbraw/zinc/86/53/92/1313865392.db2.gz NTXAUWSLPODHFU-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO Cc1cnc(O[C@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188792 1313865693 /nfs/dbraw/zinc/86/56/93/1313865693.db2.gz NQOSYARDXFIRIF-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cnc(O[C@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188792 1313865695 /nfs/dbraw/zinc/86/56/95/1313865695.db2.gz NQOSYARDXFIRIF-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO CC(C)C(=O)N1CCC[C@@]12CCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192729 1313866240 /nfs/dbraw/zinc/86/62/40/1313866240.db2.gz XXMLSSGYJFXRDC-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC000965065031 1302788407 /nfs/dbraw/zinc/78/84/07/1302788407.db2.gz TZMJYBINZVFGOI-WOLZCAMPSA-N 1 3 345.531 2.988 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CCCC2)C3)C1 ZINC000965064989 1302788636 /nfs/dbraw/zinc/78/86/36/1302788636.db2.gz SROQTGKHIWDOMV-GICSWVMSSA-N 1 3 347.547 2.926 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368747 1302878710 /nfs/dbraw/zinc/87/87/10/1302878710.db2.gz RVBUPVMWDZMVPN-LKWFFDHRSA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368747 1302878722 /nfs/dbraw/zinc/87/87/22/1302878722.db2.gz RVBUPVMWDZMVPN-LKWFFDHRSA-N 1 3 333.520 2.654 20 0 EFADHO CCC[N@H+]1C[C@H]2CN(C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224755 1313874536 /nfs/dbraw/zinc/87/45/36/1313874536.db2.gz IGDJSIVDVDOHEP-RYQLBKOJSA-N 1 3 330.472 2.868 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN(C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224755 1313874538 /nfs/dbraw/zinc/87/45/38/1313874538.db2.gz IGDJSIVDVDOHEP-RYQLBKOJSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001208224755 1313874542 /nfs/dbraw/zinc/87/45/42/1313874542.db2.gz IGDJSIVDVDOHEP-RYQLBKOJSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001208224755 1313874546 /nfs/dbraw/zinc/87/45/46/1313874546.db2.gz IGDJSIVDVDOHEP-RYQLBKOJSA-N 1 3 330.472 2.868 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000120173120 1303024125 /nfs/dbraw/zinc/02/41/25/1303024125.db2.gz CIVJKYQCGOMISM-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000120173120 1303024128 /nfs/dbraw/zinc/02/41/28/1303024128.db2.gz CIVJKYQCGOMISM-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208279147 1313887142 /nfs/dbraw/zinc/88/71/42/1313887142.db2.gz IWMKFVQHBMBCPL-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208279147 1313887146 /nfs/dbraw/zinc/88/71/46/1313887146.db2.gz IWMKFVQHBMBCPL-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO CN1CCN(C(C)(C)C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865411713 1303242713 /nfs/dbraw/zinc/24/27/13/1303242713.db2.gz ZYJZJPPDUVIKTR-UHFFFAOYSA-N 1 3 331.291 2.504 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001208329118 1313900539 /nfs/dbraw/zinc/90/05/39/1313900539.db2.gz OWJVHWKODUIBEQ-CQSZACIVSA-N 1 3 349.441 2.784 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCCCC(F)(F)F)C2)CCC1 ZINC001208329117 1313900564 /nfs/dbraw/zinc/90/05/64/1313900564.db2.gz OWJVHWKODUIBEQ-AWEZNQCLSA-N 1 3 349.441 2.784 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)C1CC1 ZINC001208335744 1313902909 /nfs/dbraw/zinc/90/29/09/1313902909.db2.gz ZYBVPJOJUWEZPB-HRFKEGQDSA-N 1 3 341.499 2.621 20 0 EFADHO CCn1nncc1CNCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717645 1303376808 /nfs/dbraw/zinc/37/68/08/1303376808.db2.gz HPWSCQUJLYQOAC-UHFFFAOYSA-N 1 3 327.476 2.690 20 0 EFADHO CCc1cccc(CC)c1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217664 1313914941 /nfs/dbraw/zinc/91/49/41/1313914941.db2.gz TYYIHPXWPZZTDL-QGZVFWFLSA-N 1 3 344.503 2.807 20 0 EFADHO CC(C)[NH2+]C1CC2(CC(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000965928504 1303458569 /nfs/dbraw/zinc/45/85/69/1303458569.db2.gz BNCIVPUHLGSHAZ-UHFFFAOYSA-N 1 3 329.488 2.787 20 0 EFADHO Cc1cc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)ccc1Cl ZINC001239218353 1313915240 /nfs/dbraw/zinc/91/52/40/1313915240.db2.gz ZFFUFZTVHKOPBJ-AWEZNQCLSA-N 1 3 336.867 2.644 20 0 EFADHO CCC[NH2+]C1CC2(CC(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000965933166 1303466417 /nfs/dbraw/zinc/46/64/17/1303466417.db2.gz QJDQEBAQPANEAP-UHFFFAOYSA-N 1 3 329.488 2.789 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965933022 1303466536 /nfs/dbraw/zinc/46/65/36/1303466536.db2.gz IVJUTYXVHOBMSW-BDLNVGTCSA-N 1 3 333.520 2.676 20 0 EFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc2ccccc2c1 ZINC001239213403 1313914200 /nfs/dbraw/zinc/91/42/00/1313914200.db2.gz BKDGWZYYMANJAI-GOSISDBHSA-N 1 3 338.455 2.836 20 0 EFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc2ccccc2c1 ZINC001239213405 1313914248 /nfs/dbraw/zinc/91/42/48/1313914248.db2.gz BKDGWZYYMANJAI-SFHVURJKSA-N 1 3 338.455 2.836 20 0 EFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc2sccc2c1 ZINC001239214921 1313914543 /nfs/dbraw/zinc/91/45/43/1313914543.db2.gz IRIKVYLOGQTGDB-HNNXBMFYSA-N 1 3 344.484 2.897 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214175 1313914613 /nfs/dbraw/zinc/91/46/13/1313914613.db2.gz GGOQOCMPJXBACH-CQSZACIVSA-N 1 3 336.867 2.644 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214171 1313914694 /nfs/dbraw/zinc/91/46/94/1313914694.db2.gz GGOQOCMPJXBACH-AWEZNQCLSA-N 1 3 336.867 2.644 20 0 EFADHO NCCC[NH2+]CCCNC(=O)Nc1ccccc1-c1ccccc1 ZINC001239253162 1313919692 /nfs/dbraw/zinc/91/96/92/1313919692.db2.gz QABRSEQMNNUQKP-UHFFFAOYSA-N 1 3 326.444 2.804 20 0 EFADHO CC1(c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)OCCO1 ZINC000866420894 1303632837 /nfs/dbraw/zinc/63/28/37/1303632837.db2.gz JNGPDUCDZLHYIQ-UHFFFAOYSA-N 1 3 330.472 2.870 20 0 EFADHO CCCC[C@@H](CC)COC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001239340036 1313927155 /nfs/dbraw/zinc/92/71/55/1313927155.db2.gz IQFWVSBPBMJMHG-SJORKVTESA-N 1 3 327.513 2.955 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001208432302 1313927740 /nfs/dbraw/zinc/92/77/40/1313927740.db2.gz WURQKLOQBUVBAG-IEBWSBKVSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448125 1313931351 /nfs/dbraw/zinc/93/13/51/1313931351.db2.gz VUYTYCKKAOHTHN-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1cc(Cl)ccc1Cl ZINC001239395865 1313932489 /nfs/dbraw/zinc/93/24/89/1313932489.db2.gz AOGCMKVLBWCHPD-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001208453891 1313933039 /nfs/dbraw/zinc/93/30/39/1313933039.db2.gz QXRGGSYYZVROEL-KRWDZBQOSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208453439 1313933526 /nfs/dbraw/zinc/93/35/26/1313933526.db2.gz HOYGDULYQXLQTD-LBPRGKRZSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208453439 1313933529 /nfs/dbraw/zinc/93/35/29/1313933529.db2.gz HOYGDULYQXLQTD-LBPRGKRZSA-N 1 3 336.307 2.616 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001037856165 1303729914 /nfs/dbraw/zinc/72/99/14/1303729914.db2.gz YOVHXNORSMWVJO-OALUTQOASA-N 1 3 343.515 2.888 20 0 EFADHO COc1cccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)co2)c1 ZINC000866661506 1303737747 /nfs/dbraw/zinc/73/77/47/1303737747.db2.gz QYADHUOQBVFJQP-UHFFFAOYSA-N 1 3 327.428 2.926 20 0 EFADHO C[C@@H]1CN(Cc2cc3ccccc3s2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492389 1313943150 /nfs/dbraw/zinc/94/31/50/1313943150.db2.gz LIJHTPQLCYSNDX-RHSMWYFYSA-N 1 3 345.512 2.790 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405439 1303866937 /nfs/dbraw/zinc/86/69/37/1303866937.db2.gz SJNRGLXHJQXCIO-YSHGAJCASA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405439 1303866943 /nfs/dbraw/zinc/86/69/43/1303866943.db2.gz SJNRGLXHJQXCIO-YSHGAJCASA-N 1 3 341.499 2.587 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001208515481 1313950951 /nfs/dbraw/zinc/95/09/51/1313950951.db2.gz PNHYGZKRZFDFKE-MISYRCLQSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C)N(C)C ZINC001208515481 1313950955 /nfs/dbraw/zinc/95/09/55/1313950955.db2.gz PNHYGZKRZFDFKE-MISYRCLQSA-N 1 3 345.531 2.642 20 0 EFADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000867988861 1304061980 /nfs/dbraw/zinc/06/19/80/1304061980.db2.gz WFWFAADMMQDELL-GHTZIAJQSA-N 1 3 335.451 2.743 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N(CC)CC ZINC001208575516 1313965476 /nfs/dbraw/zinc/96/54/76/1313965476.db2.gz PRBFCXITUONNFF-FVQBIDKESA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N(CC)CC ZINC001208575516 1313965479 /nfs/dbraw/zinc/96/54/79/1313965479.db2.gz PRBFCXITUONNFF-FVQBIDKESA-N 1 3 345.478 2.589 20 0 EFADHO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000868172002 1304169294 /nfs/dbraw/zinc/16/92/94/1304169294.db2.gz HLPHKAIHIORUKF-UHFFFAOYSA-N 1 3 346.475 2.553 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)c1 ZINC001114413887 1304186152 /nfs/dbraw/zinc/18/61/52/1304186152.db2.gz IGOGOJZHAXYSNG-XJRBWHPUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)c1 ZINC001114413887 1304186154 /nfs/dbraw/zinc/18/61/54/1304186154.db2.gz IGOGOJZHAXYSNG-XJRBWHPUSA-N 1 3 341.499 2.587 20 0 EFADHO CC[NH+]1CCC(CN2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC001208599418 1313973100 /nfs/dbraw/zinc/97/31/00/1313973100.db2.gz HJZUYTHGKPEEQZ-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO Cc1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2scnc2C)[nH]1 ZINC001276570854 1313974369 /nfs/dbraw/zinc/97/43/69/1313974369.db2.gz YJSVOUFQPBOQOP-GASCZTMLSA-N 1 3 331.489 2.640 20 0 EFADHO Cc1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2scnc2C)[nH]1 ZINC001276570854 1313974370 /nfs/dbraw/zinc/97/43/70/1313974370.db2.gz YJSVOUFQPBOQOP-GASCZTMLSA-N 1 3 331.489 2.640 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C[C@@H]4CCCN(C)C4)C[C@H]3C2)cc1 ZINC001208606259 1313976313 /nfs/dbraw/zinc/97/63/13/1313976313.db2.gz FAVNJHUFMKVEJV-NJDAHSKKSA-N 1 3 327.516 2.700 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001208608122 1313976943 /nfs/dbraw/zinc/97/69/43/1313976943.db2.gz PMDJHXRXLLIBQO-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001208608122 1313976946 /nfs/dbraw/zinc/97/69/46/1313976946.db2.gz PMDJHXRXLLIBQO-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607304 1313977133 /nfs/dbraw/zinc/97/71/33/1313977133.db2.gz LJCPXZSRXJFJAR-VXGBXAGGSA-N 1 3 332.370 2.610 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607304 1313977134 /nfs/dbraw/zinc/97/71/34/1313977134.db2.gz LJCPXZSRXJFJAR-VXGBXAGGSA-N 1 3 332.370 2.610 20 0 EFADHO Cc1cnc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c(C)c1 ZINC001278306195 1313979345 /nfs/dbraw/zinc/97/93/45/1313979345.db2.gz BAHOAJANCBAZBO-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612698 1313979859 /nfs/dbraw/zinc/97/98/59/1313979859.db2.gz JIHZMUKKNGRVHE-VQIMIIECSA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612698 1313979860 /nfs/dbraw/zinc/97/98/60/1313979860.db2.gz JIHZMUKKNGRVHE-VQIMIIECSA-N 1 3 347.528 2.909 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCCN(C(=O)OC(C)(C)C)CCC2)C1 ZINC001208615939 1313980739 /nfs/dbraw/zinc/98/07/39/1313980739.db2.gz JAMQCZYGHDVLSG-INIZCTEOSA-N 1 3 325.497 2.661 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCCN(C(=O)OC(C)(C)C)CCC2)C1 ZINC001208615939 1313980742 /nfs/dbraw/zinc/98/07/42/1313980742.db2.gz JAMQCZYGHDVLSG-INIZCTEOSA-N 1 3 325.497 2.661 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1)CC(C)(C)C ZINC001202526294 1304384372 /nfs/dbraw/zinc/38/43/72/1304384372.db2.gz CSWCFRGZRPZFKB-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903182 1304416848 /nfs/dbraw/zinc/41/68/48/1304416848.db2.gz CGTHPHOXXXRNQB-MSOLQXFVSA-N 1 3 333.520 2.655 20 0 EFADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208621261 1313983221 /nfs/dbraw/zinc/98/32/21/1313983221.db2.gz ZXGGMXSCJHDFAR-MDZRGWNJSA-N 1 3 341.515 2.826 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001018635650 1313983236 /nfs/dbraw/zinc/98/32/36/1313983236.db2.gz QOHKTAYABYEGDH-AZUAARDMSA-N 1 3 337.467 2.625 20 0 EFADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208621261 1313983223 /nfs/dbraw/zinc/98/32/23/1313983223.db2.gz ZXGGMXSCJHDFAR-MDZRGWNJSA-N 1 3 341.515 2.826 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001018637105 1313983922 /nfs/dbraw/zinc/98/39/22/1313983922.db2.gz XHQUDXQYGWNREJ-VQTJNVASSA-N 1 3 341.499 2.739 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2)nc1C ZINC000150980196 1304631297 /nfs/dbraw/zinc/63/12/97/1304631297.db2.gz OJDSSIAFISNOGI-LJQANCHMSA-N 1 3 330.476 2.627 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114440483 1304636663 /nfs/dbraw/zinc/63/66/63/1304636663.db2.gz TUZPNLDPQJGUEC-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114440483 1304636670 /nfs/dbraw/zinc/63/66/70/1304636670.db2.gz TUZPNLDPQJGUEC-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001208713247 1314000487 /nfs/dbraw/zinc/00/04/87/1314000487.db2.gz OCZBTIKPWMUKJG-DOTOQJQBSA-N 1 3 334.460 2.765 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967206939 1304749411 /nfs/dbraw/zinc/74/94/11/1304749411.db2.gz PRPKKBVFXCDIAJ-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967206939 1304749417 /nfs/dbraw/zinc/74/94/17/1304749417.db2.gz PRPKKBVFXCDIAJ-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967205510 1304749614 /nfs/dbraw/zinc/74/96/14/1304749614.db2.gz KWTRFYPLKDAOEU-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967205510 1304749620 /nfs/dbraw/zinc/74/96/20/1304749620.db2.gz KWTRFYPLKDAOEU-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1CN(C)C ZINC001240247926 1314009094 /nfs/dbraw/zinc/00/90/94/1314009094.db2.gz QRBFIGNBLJHRRH-UHFFFAOYSA-N 1 3 339.483 2.829 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037930761 1304863291 /nfs/dbraw/zinc/86/32/91/1304863291.db2.gz YYENOJCVPIMVFD-MSOLQXFVSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001037933104 1304891144 /nfs/dbraw/zinc/89/11/44/1304891144.db2.gz KXORYKKEHGRQPR-MAUKXSAKSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001037935137 1304972330 /nfs/dbraw/zinc/97/23/30/1304972330.db2.gz PEBTYLLCXABWDB-MAUKXSAKSA-N 1 3 344.434 2.508 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001208867689 1314033846 /nfs/dbraw/zinc/03/38/46/1314033846.db2.gz QIHNVHAHDALKDN-HXUWFJFHSA-N 1 3 330.472 2.824 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001208867689 1314033849 /nfs/dbraw/zinc/03/38/49/1314033849.db2.gz QIHNVHAHDALKDN-HXUWFJFHSA-N 1 3 330.472 2.824 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870189988 1305197560 /nfs/dbraw/zinc/19/75/60/1305197560.db2.gz SEYZJZWYMCHKRL-HDICACEKSA-N 1 3 343.515 2.639 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037953941 1305270826 /nfs/dbraw/zinc/27/08/26/1305270826.db2.gz ZQHYRMAEBZJJPE-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2CCN(C)C ZINC001276598082 1314043742 /nfs/dbraw/zinc/04/37/42/1314043742.db2.gz QYUKZSMYAHWZDN-CALCHBBNSA-N 1 3 344.478 2.826 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)C ZINC001276598082 1314043746 /nfs/dbraw/zinc/04/37/46/1314043746.db2.gz QYUKZSMYAHWZDN-CALCHBBNSA-N 1 3 344.478 2.826 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000967708614 1305342222 /nfs/dbraw/zinc/34/22/22/1305342222.db2.gz MLDJSABZPMXALB-WOJBJXKFSA-N 1 3 337.467 2.625 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208933427 1314050305 /nfs/dbraw/zinc/05/03/05/1314050305.db2.gz VJGRSHDSSZUGQF-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208933427 1314050307 /nfs/dbraw/zinc/05/03/07/1314050307.db2.gz VJGRSHDSSZUGQF-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)C1CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208943237 1314054067 /nfs/dbraw/zinc/05/40/67/1314054067.db2.gz SHKJJMZIJTUAHJ-SFHVURJKSA-N 1 3 330.472 2.784 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001042925175 1305479075 /nfs/dbraw/zinc/47/90/75/1305479075.db2.gz YFYLCKZDFNIERA-GOSISDBHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001042925175 1305479085 /nfs/dbraw/zinc/47/90/85/1305479085.db2.gz YFYLCKZDFNIERA-GOSISDBHSA-N 1 3 335.536 2.972 20 0 EFADHO COc1cc(N2CCC([NH+](C)C)CC2)ccc1NC1=CCN(C)CC1 ZINC001208979172 1314062945 /nfs/dbraw/zinc/06/29/45/1314062945.db2.gz HXFUBKMUXFKITI-UHFFFAOYSA-N 1 3 344.503 2.857 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCF ZINC001037985299 1305560162 /nfs/dbraw/zinc/56/01/62/1305560162.db2.gz UWZZLSWJZWVTPV-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO O=c1cccc(CN[C@@]23CC[C@@]([NH2+]Cc4cnsc4)(C2)CCC3)[nH]1 ZINC001276605018 1314063494 /nfs/dbraw/zinc/06/34/94/1314063494.db2.gz XQLCRVOAWQTCPQ-MSOLQXFVSA-N 1 3 344.484 2.969 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2ccccc2C)CC1)N(C)C ZINC001202531660 1305569997 /nfs/dbraw/zinc/56/99/97/1305569997.db2.gz JRRWXSFGWOGAFL-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001037981739 1305581218 /nfs/dbraw/zinc/58/12/18/1305581218.db2.gz GXEYJLAOLAZKEM-HKUYNNGSSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037983120 1305589428 /nfs/dbraw/zinc/58/94/28/1305589428.db2.gz LRVUKZWYBPKFGG-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037985591 1305593794 /nfs/dbraw/zinc/59/37/94/1305593794.db2.gz WISMQDXBUPREJJ-QUCCMNQESA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)(C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+]1CCCCC1 ZINC001018848143 1314067678 /nfs/dbraw/zinc/06/76/78/1314067678.db2.gz DUTVEKVNNGZSBS-KRWDZBQOSA-N 1 3 347.478 2.781 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H](C[NH+]2CCN(c3ccncc3)CC2)CC1 ZINC001209006803 1314067863 /nfs/dbraw/zinc/06/78/63/1314067863.db2.gz JOKYPBYJXOSLSI-QAQDUYKDSA-N 1 3 331.460 2.573 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N2CCCC2)cc1 ZINC000870876078 1305647427 /nfs/dbraw/zinc/64/74/27/1305647427.db2.gz WSANEWONGQRSPW-FHWLQOOXSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000870875957 1305647799 /nfs/dbraw/zinc/64/77/99/1305647799.db2.gz QLUWHJOAYCCMAD-GUDVDZBRSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870891575 1305661521 /nfs/dbraw/zinc/66/15/21/1305661521.db2.gz FVVJXPRHZBWWOT-QRQLOZEOSA-N 1 3 329.488 2.627 20 0 EFADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000870895621 1305664799 /nfs/dbraw/zinc/66/47/99/1305664799.db2.gz LVYPPTFJEQCPMI-CEXWTWQISA-N 1 3 329.488 2.627 20 0 EFADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(CCC2CCCC2)C1 ZINC001043232654 1305668762 /nfs/dbraw/zinc/66/87/62/1305668762.db2.gz OWKJNHCWHNFSDY-UHFFFAOYSA-N 1 3 326.444 2.671 20 0 EFADHO CN(C)/C=C/c1ccncc1-c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240817660 1314075201 /nfs/dbraw/zinc/07/52/01/1314075201.db2.gz OVRUDXCIAHLQHO-WUXMJOGZSA-N 1 3 348.450 2.854 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC1 ZINC001095962953 1306117480 /nfs/dbraw/zinc/11/74/80/1306117480.db2.gz NNFWCIUUXZXAOH-QYZOEREBSA-N 1 3 331.504 2.550 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001018962748 1314112580 /nfs/dbraw/zinc/11/25/80/1314112580.db2.gz KIVJZSVTYSOTGD-ZWKOTPCHSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001018962917 1314112660 /nfs/dbraw/zinc/11/26/60/1314112660.db2.gz QCKQXYVEILAJEP-YOEHRIQHSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)CCC1 ZINC001018963280 1314112728 /nfs/dbraw/zinc/11/27/28/1314112728.db2.gz IDGWYIAIVWENDY-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CC1 ZINC001018966980 1314114057 /nfs/dbraw/zinc/11/40/57/1314114057.db2.gz YOYMHMUFTVFDAP-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001018968044 1314114603 /nfs/dbraw/zinc/11/46/03/1314114603.db2.gz QOYWJHNYUBQXEO-ZWKOTPCHSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001018968044 1314114608 /nfs/dbraw/zinc/11/46/08/1314114608.db2.gz QOYWJHNYUBQXEO-ZWKOTPCHSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001018971486 1314117431 /nfs/dbraw/zinc/11/74/31/1314117431.db2.gz CLGNGLLVMLVZAK-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1)C1CCC1 ZINC001018971763 1314117654 /nfs/dbraw/zinc/11/76/54/1314117654.db2.gz RQNWKSRXBDNTCP-LBPRGKRZSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001018971641 1314117679 /nfs/dbraw/zinc/11/76/79/1314117679.db2.gz MALDGIRETYXIQI-PBHICJAKSA-N 1 3 333.451 2.562 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1)C1CCC1 ZINC001018972899 1314117744 /nfs/dbraw/zinc/11/77/44/1314117744.db2.gz VVXQCGDUDOZGDS-KRWDZBQOSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001018999173 1314126498 /nfs/dbraw/zinc/12/64/98/1314126498.db2.gz ISYRGFDFSOHZFR-UHOSZYNNSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001018999186 1314126558 /nfs/dbraw/zinc/12/65/58/1314126558.db2.gz JBGSGLGRYVIWBB-OTWHNJEPSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001018999049 1314126798 /nfs/dbraw/zinc/12/67/98/1314126798.db2.gz DSRBNCCZDUKXLO-VKJFTORMSA-N 1 3 335.467 2.663 20 0 EFADHO C[C@H]1CN(c2ccc(C3=CCN(Cc4ccccc4)CC3)nn2)CC[NH2+]1 ZINC001241501790 1314126918 /nfs/dbraw/zinc/12/69/18/1314126918.db2.gz DIOGYQQVWGQBDP-KRWDZBQOSA-N 1 3 349.482 2.564 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001019000944 1314127086 /nfs/dbraw/zinc/12/70/86/1314127086.db2.gz ZBULQMHFEDPNOH-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001019002294 1314128205 /nfs/dbraw/zinc/12/82/05/1314128205.db2.gz PVRBFPLJUCFJLV-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097581407 1314132866 /nfs/dbraw/zinc/13/28/66/1314132866.db2.gz ZGRVRWBKTWGBHQ-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001097581407 1314132867 /nfs/dbraw/zinc/13/28/67/1314132867.db2.gz ZGRVRWBKTWGBHQ-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673208 1306556032 /nfs/dbraw/zinc/55/60/32/1306556032.db2.gz JADVCUKBTMHBRR-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673208 1306556035 /nfs/dbraw/zinc/55/60/35/1306556035.db2.gz JADVCUKBTMHBRR-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680633 1306563520 /nfs/dbraw/zinc/56/35/20/1306563520.db2.gz BYONULMSMHUFNA-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680633 1306563526 /nfs/dbraw/zinc/56/35/26/1306563526.db2.gz BYONULMSMHUFNA-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683068 1306565141 /nfs/dbraw/zinc/56/51/41/1306565141.db2.gz XXBLWLIJTPSJIC-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683068 1306565142 /nfs/dbraw/zinc/56/51/42/1306565142.db2.gz XXBLWLIJTPSJIC-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001209302108 1314134768 /nfs/dbraw/zinc/13/47/68/1314134768.db2.gz CABTVTYECOSJFP-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052860841 1314428747 /nfs/dbraw/zinc/42/87/47/1314428747.db2.gz XUEZIYUQOCJWGR-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052860841 1314428749 /nfs/dbraw/zinc/42/87/49/1314428749.db2.gz XUEZIYUQOCJWGR-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044629683 1306673103 /nfs/dbraw/zinc/67/31/03/1306673103.db2.gz ONTBQOXSYLDSQJ-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H](C)C2)cc1 ZINC001044629767 1306673223 /nfs/dbraw/zinc/67/32/23/1306673223.db2.gz PNRZOTISEQUKFS-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629273 1306673658 /nfs/dbraw/zinc/67/36/58/1306673658.db2.gz LCCWQVLCIVALKN-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629272 1306673735 /nfs/dbraw/zinc/67/37/35/1306673735.db2.gz LCCWQVLCIVALKN-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H](C)C2)c1 ZINC001044630278 1306674861 /nfs/dbraw/zinc/67/48/61/1306674861.db2.gz UVFHZHOXENIFIS-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001019034606 1314144339 /nfs/dbraw/zinc/14/43/39/1314144339.db2.gz JOBQAQOYUXAMIV-RBUKOAKNSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744880 1306767577 /nfs/dbraw/zinc/76/75/77/1306767577.db2.gz QFUCVKBZTDSXBT-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1C ZINC001044749445 1306770715 /nfs/dbraw/zinc/77/07/15/1306770715.db2.gz KFELLIXOGKKRTN-AEFFLSMTSA-N 1 3 340.471 2.738 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750113 1306771829 /nfs/dbraw/zinc/77/18/29/1306771829.db2.gz MSSGIUTZPULUKX-CJNGLKHVSA-N 1 3 346.862 2.775 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044752393 1306772410 /nfs/dbraw/zinc/77/24/10/1306772410.db2.gz XTJMKDKVKMWDDX-SJLPKXTDSA-N 1 3 340.471 2.738 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044752615 1306772520 /nfs/dbraw/zinc/77/25/20/1306772520.db2.gz YNBSWDGRBNFCQX-QAPCUYQASA-N 1 3 340.471 2.684 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c(C)c1 ZINC001044753393 1306773915 /nfs/dbraw/zinc/77/39/15/1306773915.db2.gz BZZQPHGLGQRFRE-WMZOPIPTSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000968904354 1306777227 /nfs/dbraw/zinc/77/72/27/1306777227.db2.gz QDXWOXLCCUWPGC-FUHWJXTLSA-N 1 3 329.488 2.731 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)CCC1 ZINC000968904065 1306777661 /nfs/dbraw/zinc/77/76/61/1306777661.db2.gz IDGWYIAIVWENDY-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912615 1306786406 /nfs/dbraw/zinc/78/64/06/1306786406.db2.gz MQYCEHBFXMIHDA-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000968916181 1306790563 /nfs/dbraw/zinc/79/05/63/1306790563.db2.gz YKCIPJICGKXMHP-RTBURBONSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000968916181 1306790569 /nfs/dbraw/zinc/79/05/69/1306790569.db2.gz YKCIPJICGKXMHP-RTBURBONSA-N 1 3 347.478 2.779 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1)C1CCC1 ZINC000968922140 1306798494 /nfs/dbraw/zinc/79/84/94/1306798494.db2.gz RQNWKSRXBDNTCP-GFCCVEGCSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968988866 1306866362 /nfs/dbraw/zinc/86/63/62/1306866362.db2.gz CNICCZXSBMPSCZ-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c(C)c1 ZINC001044857014 1306867467 /nfs/dbraw/zinc/86/74/67/1306867467.db2.gz DCKQRAKUQJTNAR-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC000968990228 1306867709 /nfs/dbraw/zinc/86/77/09/1306867709.db2.gz YJGDYXMKACTQKL-XHSDSOJGSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1C ZINC001044858098 1306868070 /nfs/dbraw/zinc/86/80/70/1306868070.db2.gz QCLRGHBYSVXRTE-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cs1 ZINC001044857653 1306868259 /nfs/dbraw/zinc/86/82/59/1306868259.db2.gz MIYFOALGAQLLRF-PBHICJAKSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044858274 1306868344 /nfs/dbraw/zinc/86/83/44/1306868344.db2.gz RAOOVKVXNPNBFS-APWZRJJASA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1C ZINC001044858100 1306868475 /nfs/dbraw/zinc/86/84/75/1306868475.db2.gz QCLRGHBYSVXRTE-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC001044857493 1306868744 /nfs/dbraw/zinc/86/87/44/1306868744.db2.gz KEOJVWJSTGXLOZ-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858091 1306868815 /nfs/dbraw/zinc/86/88/15/1306868815.db2.gz QAECGGBHNPNTJA-LPHOPBHVSA-N 1 3 347.478 2.721 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044858995 1306869208 /nfs/dbraw/zinc/86/92/08/1306869208.db2.gz YMUBMKKGRCKLIF-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC000968994657 1306871605 /nfs/dbraw/zinc/87/16/05/1306871605.db2.gz XLKMUFZVGBWADC-SELBCVKXSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000968994657 1306871609 /nfs/dbraw/zinc/87/16/09/1306871609.db2.gz XLKMUFZVGBWADC-SELBCVKXSA-N 1 3 327.900 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000968996257 1306871945 /nfs/dbraw/zinc/87/19/45/1306871945.db2.gz BYWCLCRKCXTLSF-SJORKVTESA-N 1 3 337.895 2.617 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968996215 1306872387 /nfs/dbraw/zinc/87/23/87/1306872387.db2.gz AALPIXLPIXKRHF-MOPGFXCFSA-N 1 3 331.504 2.526 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000968996509 1306873044 /nfs/dbraw/zinc/87/30/44/1306873044.db2.gz IWAZZUIUJFBAHL-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC000969074748 1306948475 /nfs/dbraw/zinc/94/84/75/1306948475.db2.gz QZFXICTTYYLAQQ-KBAYOESNSA-N 1 3 349.906 2.858 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001044959776 1306956580 /nfs/dbraw/zinc/95/65/80/1306956580.db2.gz MEFDXQKOGCGHGW-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001045066855 1307029671 /nfs/dbraw/zinc/02/96/71/1307029671.db2.gz FXNHMSSYQNTNHG-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001045065628 1307029710 /nfs/dbraw/zinc/02/97/10/1307029710.db2.gz BCWFAIFYQNTNFU-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001045067482 1307030368 /nfs/dbraw/zinc/03/03/68/1307030368.db2.gz MWNAQHXTUNBELF-OALUTQOASA-N 1 3 347.478 2.555 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1CNCc1ccccc1Cl)C1CC1 ZINC001045067002 1307030692 /nfs/dbraw/zinc/03/06/92/1307030692.db2.gz CEJDNQBMYYPYQC-FUHWJXTLSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001045070290 1307033055 /nfs/dbraw/zinc/03/30/55/1307033055.db2.gz BCJXRRBDKMXBPX-IBGZPJMESA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001045070653 1307033896 /nfs/dbraw/zinc/03/38/96/1307033896.db2.gz PRDTWADBUCCCOS-BEFAXECRSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001045078431 1307036555 /nfs/dbraw/zinc/03/65/55/1307036555.db2.gz HKUHBXRLSYMUBD-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001045078972 1307037009 /nfs/dbraw/zinc/03/70/09/1307037009.db2.gz QXXNIQNNXKRVTR-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001045079277 1307037779 /nfs/dbraw/zinc/03/77/79/1307037779.db2.gz BKOBFNUUAVXRNR-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001045079626 1307037919 /nfs/dbraw/zinc/03/79/19/1307037919.db2.gz MEINLJGAURGXTM-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCc2ccc(Cl)cc2F)C1 ZINC001209444125 1314163507 /nfs/dbraw/zinc/16/35/07/1314163507.db2.gz DGCGWSSAVTXURT-OAHLLOKOSA-N 1 3 341.858 2.511 20 0 EFADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001209447111 1314164492 /nfs/dbraw/zinc/16/44/92/1314164492.db2.gz XHJSWPZRDNEYIS-ZFWWWQNUSA-N 1 3 339.430 2.558 20 0 EFADHO c1cncc(O[C@H]2CO[C@@]3(CC[N@@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209449720 1314165034 /nfs/dbraw/zinc/16/50/34/1314165034.db2.gz CNYORVFAEDABKA-UXHICEINSA-N 1 3 345.487 2.570 20 0 EFADHO c1cncc(O[C@H]2CO[C@@]3(CC[N@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209449720 1314165037 /nfs/dbraw/zinc/16/50/37/1314165037.db2.gz CNYORVFAEDABKA-UXHICEINSA-N 1 3 345.487 2.570 20 0 EFADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001045181661 1307116871 /nfs/dbraw/zinc/11/68/71/1307116871.db2.gz QVJMBOJNORCUMM-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001045200271 1307134818 /nfs/dbraw/zinc/13/48/18/1307134818.db2.gz SBQGDBMOSRALBM-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c(C)s1 ZINC001045199879 1307135047 /nfs/dbraw/zinc/13/50/47/1307135047.db2.gz LULJHDBYHCFMQG-KDOFPFPSSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045200112 1307135190 /nfs/dbraw/zinc/13/51/90/1307135190.db2.gz CBXJMYQRMZWWSZ-RDJZCZTQSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045200112 1307135195 /nfs/dbraw/zinc/13/51/95/1307135195.db2.gz CBXJMYQRMZWWSZ-RDJZCZTQSA-N 1 3 349.906 2.905 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC001045201863 1307135991 /nfs/dbraw/zinc/13/59/91/1307135991.db2.gz JTWGUJXOHYHRGV-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001045200877 1307136073 /nfs/dbraw/zinc/13/60/73/1307136073.db2.gz TVEBWAMIOVTRIM-YJBOKZPZSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cs1 ZINC001045201258 1307136281 /nfs/dbraw/zinc/13/62/81/1307136281.db2.gz ZLQZBLJNNABTRN-YOEHRIQHSA-N 1 3 335.517 2.621 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001045205006 1307136998 /nfs/dbraw/zinc/13/69/98/1307136998.db2.gz ATFWIBJWVOEOMZ-ROUUACIJSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](CC)N(C)C)cc1 ZINC001045205653 1307137646 /nfs/dbraw/zinc/13/76/46/1307137646.db2.gz QPVDGZKXHSKHPU-OALUTQOASA-N 1 3 331.504 2.670 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]Cc1cccc2ccccc21 ZINC001045217962 1307148240 /nfs/dbraw/zinc/14/82/40/1307148240.db2.gz FEPFUVQEJWSKHW-IBGZPJMESA-N 1 3 348.450 2.886 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001045219203 1307148815 /nfs/dbraw/zinc/14/88/15/1307148815.db2.gz JIXSLMMBENYCKZ-SFHVURJKSA-N 1 3 340.471 2.856 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001045218665 1307149149 /nfs/dbraw/zinc/14/91/49/1307149149.db2.gz XDTUAEZONZYDQA-SFHVURJKSA-N 1 3 340.471 2.658 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001045218945 1307149389 /nfs/dbraw/zinc/14/93/89/1307149389.db2.gz DOYGXAWXXXVTDK-IBGZPJMESA-N 1 3 338.455 2.610 20 0 EFADHO O=C([C@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2CCC1CCCCC1 ZINC001276646991 1314173519 /nfs/dbraw/zinc/17/35/19/1314173519.db2.gz TZAMBEYACDPTSR-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC[C@H](C)F)CC1 ZINC001045438635 1307339526 /nfs/dbraw/zinc/33/95/26/1307339526.db2.gz UQDSXJKQAFUESH-HOTGVXAUSA-N 1 3 327.488 2.578 20 0 EFADHO O=C(N[C@@H]1CCCN(CCCF)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001007341745 1307379590 /nfs/dbraw/zinc/37/95/90/1307379590.db2.gz BHULGPFIKQAPIL-DLBZAZTESA-N 1 3 339.499 2.581 20 0 EFADHO O=C(N[C@@H]1CCCN(CCCF)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001007341745 1307379593 /nfs/dbraw/zinc/37/95/93/1307379593.db2.gz BHULGPFIKQAPIL-DLBZAZTESA-N 1 3 339.499 2.581 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007368261 1307391187 /nfs/dbraw/zinc/39/11/87/1307391187.db2.gz NZVGEGWIGFWMLI-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007368261 1307391190 /nfs/dbraw/zinc/39/11/90/1307391190.db2.gz NZVGEGWIGFWMLI-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038620744 1307484046 /nfs/dbraw/zinc/48/40/46/1307484046.db2.gz CQPHHKPEQDKWLB-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038620744 1307484051 /nfs/dbraw/zinc/48/40/51/1307484051.db2.gz CQPHHKPEQDKWLB-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639683 1307492380 /nfs/dbraw/zinc/49/23/80/1307492380.db2.gz PIPAWKNPFYPVBY-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045639683 1307492384 /nfs/dbraw/zinc/49/23/84/1307492384.db2.gz PIPAWKNPFYPVBY-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640308 1307493243 /nfs/dbraw/zinc/49/32/43/1307493243.db2.gz MVFHTHXBJSOOCX-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640308 1307493247 /nfs/dbraw/zinc/49/32/47/1307493247.db2.gz MVFHTHXBJSOOCX-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640404 1307493725 /nfs/dbraw/zinc/49/37/25/1307493725.db2.gz POICLEMHOSGBGY-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640404 1307493728 /nfs/dbraw/zinc/49/37/28/1307493728.db2.gz POICLEMHOSGBGY-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045776266 1307587526 /nfs/dbraw/zinc/58/75/26/1307587526.db2.gz NHFCDQNJBMWOCX-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045776266 1307587529 /nfs/dbraw/zinc/58/75/29/1307587529.db2.gz NHFCDQNJBMWOCX-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)CC[N@@H+]1C ZINC001045781309 1307592839 /nfs/dbraw/zinc/59/28/39/1307592839.db2.gz GNADGKUPMFTXIV-NRSFXHEJSA-N 1 3 347.528 2.654 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)CC[N@H+]1C ZINC001045781309 1307592842 /nfs/dbraw/zinc/59/28/42/1307592842.db2.gz GNADGKUPMFTXIV-NRSFXHEJSA-N 1 3 347.528 2.654 20 0 EFADHO O=C(N[C@H]1CCCN(CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001007786987 1307601604 /nfs/dbraw/zinc/60/16/04/1307601604.db2.gz MPBOFLIDJUYUPZ-SFHVURJKSA-N 1 3 333.520 2.776 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001045797102 1307646463 /nfs/dbraw/zinc/64/64/63/1307646463.db2.gz PFHQNLRMSLFVIU-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001045797102 1307646465 /nfs/dbraw/zinc/64/64/65/1307646465.db2.gz PFHQNLRMSLFVIU-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045807005 1307664138 /nfs/dbraw/zinc/66/41/38/1307664138.db2.gz DLPKNKAKYPPOMA-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045807005 1307664147 /nfs/dbraw/zinc/66/41/47/1307664147.db2.gz DLPKNKAKYPPOMA-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045807004 1307664633 /nfs/dbraw/zinc/66/46/33/1307664633.db2.gz DLPKNKAKYPPOMA-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045807004 1307664635 /nfs/dbraw/zinc/66/46/35/1307664635.db2.gz DLPKNKAKYPPOMA-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640683 1314207088 /nfs/dbraw/zinc/20/70/88/1314207088.db2.gz CSBVBXRDSXQISU-LPHOPBHVSA-N 1 3 339.499 2.746 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045820441 1307692009 /nfs/dbraw/zinc/69/20/09/1307692009.db2.gz ZEIDPKDJASUHTC-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045820441 1307692011 /nfs/dbraw/zinc/69/20/11/1307692011.db2.gz ZEIDPKDJASUHTC-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001209630604 1314204223 /nfs/dbraw/zinc/20/42/23/1314204223.db2.gz AHWGBTQGTQUBHJ-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001209633180 1314204532 /nfs/dbraw/zinc/20/45/32/1314204532.db2.gz SIRZIMAQBBGFFV-KVKGCXCTSA-N 1 3 341.499 2.765 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900175127 1307744087 /nfs/dbraw/zinc/74/40/87/1307744087.db2.gz SRHGBLYIZGVOCN-DOTOQJQBSA-N 1 3 331.460 2.712 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900175127 1307744093 /nfs/dbraw/zinc/74/40/93/1307744093.db2.gz SRHGBLYIZGVOCN-DOTOQJQBSA-N 1 3 331.460 2.712 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045858688 1307759909 /nfs/dbraw/zinc/75/99/09/1307759909.db2.gz SDPLNOQCWPLNSF-FGTMMUONSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001045858688 1307759903 /nfs/dbraw/zinc/75/99/03/1307759903.db2.gz SDPLNOQCWPLNSF-FGTMMUONSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001045878618 1307798255 /nfs/dbraw/zinc/79/82/55/1307798255.db2.gz FGVQERAXNMQKSX-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001045878618 1307798258 /nfs/dbraw/zinc/79/82/58/1307798258.db2.gz FGVQERAXNMQKSX-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209659465 1314212089 /nfs/dbraw/zinc/21/20/89/1314212089.db2.gz DSGJUMOGSOGVBA-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001209668552 1314213216 /nfs/dbraw/zinc/21/32/16/1314213216.db2.gz FFFVNMKLJLEKCM-IRXDYDNUSA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001209670093 1314213661 /nfs/dbraw/zinc/21/36/61/1314213661.db2.gz VVBNPEFHJSFKCW-BTPOVWIBSA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001209669777 1314213767 /nfs/dbraw/zinc/21/37/67/1314213767.db2.gz UFXAQGPICFCUPH-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001209678716 1314215082 /nfs/dbraw/zinc/21/50/82/1314215082.db2.gz MLUGPDICXWJCEY-OALUTQOASA-N 1 3 331.504 2.540 20 0 EFADHO Cc1nc(Cl)c(CCN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c(Cl)n1 ZINC001276664996 1314218046 /nfs/dbraw/zinc/21/80/46/1314218046.db2.gz DLXWHSZYFDDGBZ-BETUJISGSA-N 1 3 343.302 2.908 20 0 EFADHO Cc1nc(Cl)c(CCN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c(Cl)n1 ZINC001276664996 1314218049 /nfs/dbraw/zinc/21/80/49/1314218049.db2.gz DLXWHSZYFDDGBZ-BETUJISGSA-N 1 3 343.302 2.908 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001008277624 1307954320 /nfs/dbraw/zinc/95/43/20/1307954320.db2.gz UBNYHIDWTJGHCV-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001008277624 1307954327 /nfs/dbraw/zinc/95/43/27/1307954327.db2.gz UBNYHIDWTJGHCV-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942987 1307954766 /nfs/dbraw/zinc/95/47/66/1307954766.db2.gz DUXKAXFCRUSVMV-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942987 1307954770 /nfs/dbraw/zinc/95/47/70/1307954770.db2.gz DUXKAXFCRUSVMV-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942850 1307955650 /nfs/dbraw/zinc/95/56/50/1307955650.db2.gz BFSNPIURYMIKRK-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942850 1307955655 /nfs/dbraw/zinc/95/56/55/1307955655.db2.gz BFSNPIURYMIKRK-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943165 1307956570 /nfs/dbraw/zinc/95/65/70/1307956570.db2.gz GJRUJZIFGVRHTN-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943165 1307956575 /nfs/dbraw/zinc/95/65/75/1307956575.db2.gz GJRUJZIFGVRHTN-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944149 1307960438 /nfs/dbraw/zinc/96/04/38/1307960438.db2.gz YOFXUYCPDOAPBS-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944149 1307960442 /nfs/dbraw/zinc/96/04/42/1307960442.db2.gz YOFXUYCPDOAPBS-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c(C)s1 ZINC001276666016 1314220010 /nfs/dbraw/zinc/22/00/10/1314220010.db2.gz XPDKZIYFWSOJLE-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO COc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)cc2c1OCO2 ZINC001209715667 1314221866 /nfs/dbraw/zinc/22/18/66/1314221866.db2.gz ZMCBBZNYJBZVDW-UHFFFAOYSA-N 1 3 346.471 2.978 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045957975 1307997883 /nfs/dbraw/zinc/99/78/83/1307997883.db2.gz ILVFCKQQDSSVOX-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045957975 1307997886 /nfs/dbraw/zinc/99/78/86/1307997886.db2.gz ILVFCKQQDSSVOX-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001045958094 1307998936 /nfs/dbraw/zinc/99/89/36/1307998936.db2.gz KNCRSBHBXOBDDE-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001045958094 1307998941 /nfs/dbraw/zinc/99/89/41/1307998941.db2.gz KNCRSBHBXOBDDE-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001045965010 1308018165 /nfs/dbraw/zinc/01/81/65/1308018165.db2.gz BEHWOEUHEVMZEH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001045965010 1308018172 /nfs/dbraw/zinc/01/81/72/1308018172.db2.gz BEHWOEUHEVMZEH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001045965006 1308019271 /nfs/dbraw/zinc/01/92/71/1308019271.db2.gz BEHWOEUHEVMZEH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001045965006 1308019274 /nfs/dbraw/zinc/01/92/74/1308019274.db2.gz BEHWOEUHEVMZEH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001045966733 1308022450 /nfs/dbraw/zinc/02/24/50/1308022450.db2.gz DZTJJBRXJJGDKH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001045966733 1308022455 /nfs/dbraw/zinc/02/24/55/1308022455.db2.gz DZTJJBRXJJGDKH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO Nc1ccncc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001209734247 1314225210 /nfs/dbraw/zinc/22/52/10/1314225210.db2.gz PEEILTCPVXUKAE-UHFFFAOYSA-N 1 3 336.483 2.982 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001413135248 1308124076 /nfs/dbraw/zinc/12/40/76/1308124076.db2.gz YFXGLALRPQLWFB-JUOQMLADSA-N 1 3 336.426 2.945 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001008508569 1308124621 /nfs/dbraw/zinc/12/46/21/1308124621.db2.gz IMNXJDBXOMLKNW-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001008508569 1308124623 /nfs/dbraw/zinc/12/46/23/1308124623.db2.gz IMNXJDBXOMLKNW-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001413132059 1308131406 /nfs/dbraw/zinc/13/14/06/1308131406.db2.gz JEEITSSDUVFLRI-RBUKOAKNSA-N 1 3 340.471 2.544 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1F ZINC001019232034 1314231213 /nfs/dbraw/zinc/23/12/13/1314231213.db2.gz FWYVTMUELLBRFJ-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(F)(F)CC1 ZINC001276668573 1314231760 /nfs/dbraw/zinc/23/17/60/1314231760.db2.gz IKAODSYKRQBFNU-ALOPSCKCSA-N 1 3 329.479 2.959 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(Cl)c1 ZINC001019241650 1314235025 /nfs/dbraw/zinc/23/50/25/1314235025.db2.gz QXPCFXNMFIYPLU-RRQGHBQHSA-N 1 3 335.879 2.686 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(F)(F)CC1 ZINC001276668573 1314231761 /nfs/dbraw/zinc/23/17/61/1314231761.db2.gz IKAODSYKRQBFNU-ALOPSCKCSA-N 1 3 329.479 2.959 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnccn3)C[C@H]21 ZINC001209782363 1314238887 /nfs/dbraw/zinc/23/88/87/1314238887.db2.gz ZXMFSYBGZAKBER-PWIZWCRZSA-N 1 3 337.471 2.604 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnccn3)C[C@H]21 ZINC001209782363 1314238890 /nfs/dbraw/zinc/23/88/90/1314238890.db2.gz ZXMFSYBGZAKBER-PWIZWCRZSA-N 1 3 337.471 2.604 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009202057 1308428376 /nfs/dbraw/zinc/42/83/76/1308428376.db2.gz MFEIUSNIYFHETN-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009202057 1308428377 /nfs/dbraw/zinc/42/83/77/1308428377.db2.gz MFEIUSNIYFHETN-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)c1 ZINC001009203750 1308429884 /nfs/dbraw/zinc/42/98/84/1308429884.db2.gz SAYMLZRFNADZBX-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)c1 ZINC001009203750 1308429887 /nfs/dbraw/zinc/42/98/87/1308429887.db2.gz SAYMLZRFNADZBX-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO CCOC(=O)[C@@]1(C)CCCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC001209845503 1314247923 /nfs/dbraw/zinc/24/79/23/1314247923.db2.gz KNLOCBXZGJREDN-SFHVURJKSA-N 1 3 336.501 2.949 20 0 EFADHO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC001209845503 1314247927 /nfs/dbraw/zinc/24/79/27/1314247927.db2.gz KNLOCBXZGJREDN-SFHVURJKSA-N 1 3 336.501 2.949 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001046314563 1308529479 /nfs/dbraw/zinc/52/94/79/1308529479.db2.gz DENBPZVTXKTJJL-PZJWPPBQSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001046314563 1308529482 /nfs/dbraw/zinc/52/94/82/1308529482.db2.gz DENBPZVTXKTJJL-PZJWPPBQSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001046318960 1308535652 /nfs/dbraw/zinc/53/56/52/1308535652.db2.gz ZDDWGERUDRXPML-FXAWDEMLSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001046318960 1308535655 /nfs/dbraw/zinc/53/56/55/1308535655.db2.gz ZDDWGERUDRXPML-FXAWDEMLSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001046330273 1308546206 /nfs/dbraw/zinc/54/62/06/1308546206.db2.gz ICDHULSJQLJBPB-ZVDOUQERSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001046330273 1308546208 /nfs/dbraw/zinc/54/62/08/1308546208.db2.gz ICDHULSJQLJBPB-ZVDOUQERSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC001046330886 1308547187 /nfs/dbraw/zinc/54/71/87/1308547187.db2.gz WANJMTQALTZIOL-SCTDSRPQSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001046330886 1308547189 /nfs/dbraw/zinc/54/71/89/1308547189.db2.gz WANJMTQALTZIOL-SCTDSRPQSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510575 1308553513 /nfs/dbraw/zinc/55/35/13/1308553513.db2.gz RPGRCVCVRPNNEU-RBUKOAKNSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510575 1308553517 /nfs/dbraw/zinc/55/35/17/1308553517.db2.gz RPGRCVCVRPNNEU-RBUKOAKNSA-N 1 3 343.515 2.842 20 0 EFADHO CC[NH+]1CCC(CN[C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC001413202770 1308608053 /nfs/dbraw/zinc/60/80/53/1308608053.db2.gz HIFOYFLLWBGXTH-OAHLLOKOSA-N 1 3 346.393 2.940 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]C[C@H]2COCO2)CCN(Cc2ccccc2)C1 ZINC001413223275 1308727196 /nfs/dbraw/zinc/72/71/96/1308727196.db2.gz NWSLHJISPLWGAE-AZUAARDMSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@H]2COCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001413223275 1308727200 /nfs/dbraw/zinc/72/72/00/1308727200.db2.gz NWSLHJISPLWGAE-AZUAARDMSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@H]2COCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001413223275 1308727203 /nfs/dbraw/zinc/72/72/03/1308727203.db2.gz NWSLHJISPLWGAE-AZUAARDMSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001209952363 1314263436 /nfs/dbraw/zinc/26/34/36/1314263436.db2.gz QAOPKYJSFVDFBR-GJZGRUSLSA-N 1 3 349.441 2.782 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001276676431 1314268040 /nfs/dbraw/zinc/26/80/40/1314268040.db2.gz DTMINRHFWONXPZ-QFBILLFUSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001276676431 1314268042 /nfs/dbraw/zinc/26/80/42/1314268042.db2.gz DTMINRHFWONXPZ-QFBILLFUSA-N 1 3 337.508 2.804 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210041566 1314274669 /nfs/dbraw/zinc/27/46/69/1314274669.db2.gz VMEMFYCIAQQRQA-GPMSIDNRSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210041566 1314274672 /nfs/dbraw/zinc/27/46/72/1314274672.db2.gz VMEMFYCIAQQRQA-GPMSIDNRSA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001019339023 1314281550 /nfs/dbraw/zinc/28/15/50/1314281550.db2.gz KIYWRQYXIQNWGC-JCGIZDLHSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019342651 1314283487 /nfs/dbraw/zinc/28/34/87/1314283487.db2.gz AMWVQZUSBGQUKD-JENIJYKNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019342649 1314283661 /nfs/dbraw/zinc/28/36/61/1314283661.db2.gz ALRUKUONQQFGML-PKOBYXMFSA-N 1 3 331.504 2.580 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](F)CC)C1 ZINC001210181975 1314292283 /nfs/dbraw/zinc/29/22/83/1314292283.db2.gz HJKYVNMHBCCPQI-DLBZAZTESA-N 1 3 329.504 2.827 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001210216854 1314296551 /nfs/dbraw/zinc/29/65/51/1314296551.db2.gz AJTFKGHFHILMRD-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN(CC)CC)C2)c1 ZINC001210217109 1314296694 /nfs/dbraw/zinc/29/66/94/1314296694.db2.gz CQYCAIXVRFUUDR-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001210217210 1314296706 /nfs/dbraw/zinc/29/67/06/1314296706.db2.gz FMWCZTAEDQLRLW-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001210217620 1314296803 /nfs/dbraw/zinc/29/68/03/1314296803.db2.gz KEXANVMFXWNWDS-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001210218226 1314296901 /nfs/dbraw/zinc/29/69/01/1314296901.db2.gz PSJPOSFZXRNCEP-DNVCBOLYSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001210217888 1314296941 /nfs/dbraw/zinc/29/69/41/1314296941.db2.gz NRHIIUGSLZPRLJ-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO C[C@H](C(=O)NCC[C@H](C)[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC001413271330 1309194311 /nfs/dbraw/zinc/19/43/11/1309194311.db2.gz LSPNRWZKNBJFOM-ZWKOTPCHSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210219745 1314297226 /nfs/dbraw/zinc/29/72/26/1314297226.db2.gz UBNLHLIGPOJOGE-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001210217851 1314297304 /nfs/dbraw/zinc/29/73/04/1314297304.db2.gz MQSOHAMGSITKPD-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210217680 1314297388 /nfs/dbraw/zinc/29/73/88/1314297388.db2.gz LCYSDMHUGZSDJZ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001210217230 1314297393 /nfs/dbraw/zinc/29/73/93/1314297393.db2.gz FRXNRKNNDJINSD-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210229136 1314299005 /nfs/dbraw/zinc/29/90/05/1314299005.db2.gz LYVGOGKGLIMBHX-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001019380737 1314302527 /nfs/dbraw/zinc/30/25/27/1314302527.db2.gz KWYQDNGKEDYLBO-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019380909 1314302565 /nfs/dbraw/zinc/30/25/65/1314302565.db2.gz RALONTQBXFIVLT-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC001019383164 1314304860 /nfs/dbraw/zinc/30/48/60/1314304860.db2.gz XZDMWGZQJHWDIE-WBVHZDCISA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC001019383164 1314304864 /nfs/dbraw/zinc/30/48/64/1314304864.db2.gz XZDMWGZQJHWDIE-WBVHZDCISA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386747 1314306126 /nfs/dbraw/zinc/30/61/26/1314306126.db2.gz VFARYYJYDWRWIS-SFHVURJKSA-N 1 3 347.478 2.557 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001019386189 1314306155 /nfs/dbraw/zinc/30/61/55/1314306155.db2.gz HRFLFXTVCNWIAK-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001019386189 1314306160 /nfs/dbraw/zinc/30/61/60/1314306160.db2.gz HRFLFXTVCNWIAK-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)C1 ZINC001052701236 1314310153 /nfs/dbraw/zinc/31/01/53/1314310153.db2.gz BHBFHQALNZUGAY-QAPCUYQASA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC001052701236 1314310157 /nfs/dbraw/zinc/31/01/57/1314310157.db2.gz BHBFHQALNZUGAY-QAPCUYQASA-N 1 3 345.478 2.529 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702107 1314310264 /nfs/dbraw/zinc/31/02/64/1314310264.db2.gz LLOWGHWISZBBGW-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702107 1314310268 /nfs/dbraw/zinc/31/02/68/1314310268.db2.gz LLOWGHWISZBBGW-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001019395057 1314310637 /nfs/dbraw/zinc/31/06/37/1314310637.db2.gz YLLXPNOJHNWUMZ-AOIWGVFYSA-N 1 3 331.504 2.895 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001019395058 1314310934 /nfs/dbraw/zinc/31/09/34/1314310934.db2.gz YLLXPNOJHNWUMZ-LNLFQRSKSA-N 1 3 331.504 2.895 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@H+](Cc4scnc4C)C3)CC2)c[nH]1 ZINC001276682679 1314316545 /nfs/dbraw/zinc/31/65/45/1314316545.db2.gz VYOHUGGICBABLS-UHFFFAOYSA-N 1 3 345.516 2.971 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@@H+](Cc4scnc4C)C3)CC2)c[nH]1 ZINC001276682679 1314316548 /nfs/dbraw/zinc/31/65/48/1314316548.db2.gz VYOHUGGICBABLS-UHFFFAOYSA-N 1 3 345.516 2.971 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccsc3)CC2)C1 ZINC001052712755 1314320271 /nfs/dbraw/zinc/32/02/71/1314320271.db2.gz OITSIAIEJZIKMP-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccsc3)CC2)C1 ZINC001052712755 1314320273 /nfs/dbraw/zinc/32/02/73/1314320273.db2.gz OITSIAIEJZIKMP-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccsc3)CC2)C1 ZINC001052712754 1314320427 /nfs/dbraw/zinc/32/04/27/1314320427.db2.gz OITSIAIEJZIKMP-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccsc3)CC2)C1 ZINC001052712754 1314320429 /nfs/dbraw/zinc/32/04/29/1314320429.db2.gz OITSIAIEJZIKMP-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052715278 1314320848 /nfs/dbraw/zinc/32/08/48/1314320848.db2.gz BXMLIDUYVHOAPU-SJORKVTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052715278 1314320853 /nfs/dbraw/zinc/32/08/53/1314320853.db2.gz BXMLIDUYVHOAPU-SJORKVTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052716527 1314322096 /nfs/dbraw/zinc/32/20/96/1314322096.db2.gz OGNDDLNQSZQHQQ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052716527 1314322100 /nfs/dbraw/zinc/32/21/00/1314322100.db2.gz OGNDDLNQSZQHQQ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001210426219 1314332168 /nfs/dbraw/zinc/33/21/68/1314332168.db2.gz COKJCDVNJRZIFI-RHSMWYFYSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901192179 1309769067 /nfs/dbraw/zinc/76/90/67/1309769067.db2.gz ICBBMBBQVSUZQC-NEWSRXKRSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901192179 1309769079 /nfs/dbraw/zinc/76/90/79/1309769079.db2.gz ICBBMBBQVSUZQC-NEWSRXKRSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901192180 1309770292 /nfs/dbraw/zinc/77/02/92/1309770292.db2.gz ICBBMBBQVSUZQC-QRQLOZEOSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901192180 1309770299 /nfs/dbraw/zinc/77/02/99/1309770299.db2.gz ICBBMBBQVSUZQC-QRQLOZEOSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046964483 1309785686 /nfs/dbraw/zinc/78/56/86/1309785686.db2.gz UZPCDSBSJQGFMW-HZPDHXFCSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046964483 1309785693 /nfs/dbraw/zinc/78/56/93/1309785693.db2.gz UZPCDSBSJQGFMW-HZPDHXFCSA-N 1 3 345.478 2.592 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CC)CCC1(F)F ZINC001046987205 1309854425 /nfs/dbraw/zinc/85/44/25/1309854425.db2.gz RTZOLIDNBPNBGJ-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CC)CCC1(F)F ZINC001046987205 1309854432 /nfs/dbraw/zinc/85/44/32/1309854432.db2.gz RTZOLIDNBPNBGJ-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001210498588 1314343608 /nfs/dbraw/zinc/34/36/08/1314343608.db2.gz OBKPHSISMPGEEM-RHSMWYFYSA-N 1 3 337.533 2.725 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2csc(C)c2)C[C@H]1C ZINC001210498588 1314343610 /nfs/dbraw/zinc/34/36/10/1314343610.db2.gz OBKPHSISMPGEEM-RHSMWYFYSA-N 1 3 337.533 2.725 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001052762765 1314356048 /nfs/dbraw/zinc/35/60/48/1314356048.db2.gz CCBVAMFYTXKXOE-HYMNUWHNSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001052762765 1314356051 /nfs/dbraw/zinc/35/60/51/1314356051.db2.gz CCBVAMFYTXKXOE-HYMNUWHNSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2)N1CCCCC1 ZINC001047073863 1310046035 /nfs/dbraw/zinc/04/60/35/1310046035.db2.gz VBNVCSOOICQGKH-BBWFWOEESA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2)N1CCCCC1 ZINC001047073863 1310046040 /nfs/dbraw/zinc/04/60/40/1310046040.db2.gz VBNVCSOOICQGKH-BBWFWOEESA-N 1 3 339.499 2.580 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)(C)C)C2 ZINC001047190526 1310278796 /nfs/dbraw/zinc/27/87/96/1310278796.db2.gz RUKRCLXUMSNRPJ-XHSDSOJGSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)(C)C)C2 ZINC001047190526 1310278801 /nfs/dbraw/zinc/27/88/01/1310278801.db2.gz RUKRCLXUMSNRPJ-XHSDSOJGSA-N 1 3 332.492 2.666 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047225206 1310352393 /nfs/dbraw/zinc/35/23/93/1310352393.db2.gz ANEPKYMSZUKREE-PMACEKPBSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001047241302 1310391972 /nfs/dbraw/zinc/39/19/72/1310391972.db2.gz ACBRSMLSOZVZKZ-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)C1CCC1 ZINC001047243714 1310399303 /nfs/dbraw/zinc/39/93/03/1310399303.db2.gz NREVUVBCTBALEV-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047257791 1310434350 /nfs/dbraw/zinc/43/43/50/1310434350.db2.gz UIHBWGJDFDOPPP-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210783397 1314387066 /nfs/dbraw/zinc/38/70/66/1314387066.db2.gz SMIBNSWEUAQIEL-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210783381 1314387133 /nfs/dbraw/zinc/38/71/33/1314387133.db2.gz SKCGIMYYJAGLBD-SSVWKNEZSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210782727 1314387346 /nfs/dbraw/zinc/38/73/46/1314387346.db2.gz ONICVTCNPXTLTQ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210810682 1314392420 /nfs/dbraw/zinc/39/24/20/1314392420.db2.gz CLQRXHNHJQULLH-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001210812359 1314392832 /nfs/dbraw/zinc/39/28/32/1314392832.db2.gz YQIVTLXOEJRACY-HXUWFJFHSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001210811450 1314392920 /nfs/dbraw/zinc/39/29/20/1314392920.db2.gz OCJDOGSVVDMCEG-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2CC)C1 ZINC001210811362 1314393053 /nfs/dbraw/zinc/39/30/53/1314393053.db2.gz MUKXBCJHNVLSTI-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664459 1311009201 /nfs/dbraw/zinc/00/92/01/1311009201.db2.gz VOKZDKBTWNQJPY-UEIMZRGPSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664459 1311009203 /nfs/dbraw/zinc/00/92/03/1311009203.db2.gz VOKZDKBTWNQJPY-UEIMZRGPSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664458 1311009704 /nfs/dbraw/zinc/00/97/04/1311009704.db2.gz VOKZDKBTWNQJPY-SHOKJUJBSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664458 1311009705 /nfs/dbraw/zinc/00/97/05/1311009705.db2.gz VOKZDKBTWNQJPY-SHOKJUJBSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710964 1311017524 /nfs/dbraw/zinc/01/75/24/1311017524.db2.gz RDORZVIEYSSEQC-ILRJUJNRSA-N 1 3 345.531 2.750 20 0 EFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)[C@@H]3C2)c1 ZINC001221919234 1311053715 /nfs/dbraw/zinc/05/37/15/1311053715.db2.gz FNWROVZBOMKLEO-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)[C@@H]3C2)c1 ZINC001221919234 1311053718 /nfs/dbraw/zinc/05/37/18/1311053718.db2.gz FNWROVZBOMKLEO-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221921624 1311055358 /nfs/dbraw/zinc/05/53/58/1311055358.db2.gz CDAOSCUVELVLSP-BHIYHBOVSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@H](C)c3ccccc3)C[C@H]21 ZINC001221921624 1311055361 /nfs/dbraw/zinc/05/53/61/1311055361.db2.gz CDAOSCUVELVLSP-BHIYHBOVSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945162 1311058782 /nfs/dbraw/zinc/05/87/82/1311058782.db2.gz GXFKXLGHJCKACE-GVDBMIGSSA-N 1 3 346.519 2.902 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945162 1311058785 /nfs/dbraw/zinc/05/87/85/1311058785.db2.gz GXFKXLGHJCKACE-GVDBMIGSSA-N 1 3 346.519 2.902 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027532 1311070227 /nfs/dbraw/zinc/07/02/27/1311070227.db2.gz ZYYIDCQCNGEOTA-RTBURBONSA-N 1 3 333.520 2.751 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001222046496 1311073831 /nfs/dbraw/zinc/07/38/31/1311073831.db2.gz HMCFHDOOIYGZMH-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3ccccc3C3CC3)C[C@@H]1C[NH2+]CCC2 ZINC001222131587 1311089333 /nfs/dbraw/zinc/08/93/33/1311089333.db2.gz XXOIJKSMANNGHI-RXVVDRJESA-N 1 3 342.483 2.929 20 0 EFADHO CC1(C)NC[C@@H](C[NH+]2CCC3(CNc4ccc(Cl)cc43)CC2)O1 ZINC001222172693 1311095166 /nfs/dbraw/zinc/09/51/66/1311095166.db2.gz MYBYABZRZIBCSY-AWEZNQCLSA-N 1 3 335.879 2.824 20 0 EFADHO Fc1ccc2c(c1)C1(CN2)CCN(Cc2ccc3n2CC[NH2+]C3)CC1 ZINC001222325969 1311114891 /nfs/dbraw/zinc/11/48/91/1311114891.db2.gz OBTBXLVHYFSECN-UHFFFAOYSA-N 1 3 340.446 2.690 20 0 EFADHO Cc1cc(C)c(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001276830405 1311136908 /nfs/dbraw/zinc/13/69/08/1311136908.db2.gz MBRCYYHTMMCRLR-UXHICEINSA-N 1 3 330.520 2.785 20 0 EFADHO Clc1ccc([C@@H]2C[C@H]2CN2CC[NH2+]C[C@]3(CCCCN3)C2)cc1 ZINC001222667616 1311169566 /nfs/dbraw/zinc/16/95/66/1311169566.db2.gz FWHHEHYMIIFFFU-YTQUADARSA-N 1 3 333.907 2.861 20 0 EFADHO Clc1ccc([C@@H]2C[C@@H]2CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222667613 1311169656 /nfs/dbraw/zinc/16/96/56/1311169656.db2.gz FWHHEHYMIIFFFU-NEWSRXKRSA-N 1 3 333.907 2.861 20 0 EFADHO c1ccc(C2(CN3CC[NH2+]C[C@@]4(CCCCN4)C3)CCCC2)cc1 ZINC001222669983 1311170671 /nfs/dbraw/zinc/17/06/71/1311170671.db2.gz ZNLJTWULPYUCPV-NRFANRHFSA-N 1 3 327.516 2.916 20 0 EFADHO Nc1ncc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001276850415 1311199983 /nfs/dbraw/zinc/19/99/83/1311199983.db2.gz PRYHMAQAEZTETF-UHFFFAOYSA-N 1 3 331.489 2.542 20 0 EFADHO Nc1ncc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001276850415 1311199986 /nfs/dbraw/zinc/19/99/86/1311199986.db2.gz PRYHMAQAEZTETF-UHFFFAOYSA-N 1 3 331.489 2.542 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001223023782 1311209823 /nfs/dbraw/zinc/20/98/23/1311209823.db2.gz OPILWJYETXEDIZ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001223023782 1311209824 /nfs/dbraw/zinc/20/98/24/1311209824.db2.gz OPILWJYETXEDIZ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCC(O)CC3)s1)C2 ZINC001276864698 1311219615 /nfs/dbraw/zinc/21/96/15/1311219615.db2.gz GSTAZROQXYPCEH-IBGZPJMESA-N 1 3 349.544 2.627 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCC(O)CC3)s1)C2 ZINC001276864698 1311219616 /nfs/dbraw/zinc/21/96/16/1311219616.db2.gz GSTAZROQXYPCEH-IBGZPJMESA-N 1 3 349.544 2.627 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cc(O)cc(F)c3)(C1)CCC2 ZINC001276871026 1311229298 /nfs/dbraw/zinc/22/92/98/1311229298.db2.gz VRHZFROEZQKGJV-RBUKOAKNSA-N 1 3 335.467 2.618 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869613 1311241702 /nfs/dbraw/zinc/24/17/02/1311241702.db2.gz RCYIIKGJRVZOIB-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047870135 1311242255 /nfs/dbraw/zinc/24/22/55/1311242255.db2.gz UGCZPTFSHHXVSQ-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc(C(C)(C)C)c[nH]1)CC2 ZINC001276881780 1311245660 /nfs/dbraw/zinc/24/56/60/1311245660.db2.gz DGTJCNOTPUTQIM-UHFFFAOYSA-N 1 3 332.536 2.772 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223439554 1311260928 /nfs/dbraw/zinc/26/09/28/1311260928.db2.gz ZUFSBKTWGLNHQK-CEXWTWQISA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223439554 1311260930 /nfs/dbraw/zinc/26/09/30/1311260930.db2.gz ZUFSBKTWGLNHQK-CEXWTWQISA-N 1 3 337.552 2.932 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001223465860 1311264209 /nfs/dbraw/zinc/26/42/09/1311264209.db2.gz MYPIDEIHRDJRQF-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001223472136 1311264879 /nfs/dbraw/zinc/26/48/79/1311264879.db2.gz LXMGAKQXJAPQPF-GOSISDBHSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC001223472951 1311264963 /nfs/dbraw/zinc/26/49/63/1311264963.db2.gz YMHFVHIHEFKVAV-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223471911 1311264998 /nfs/dbraw/zinc/26/49/98/1311264998.db2.gz HCYWTABUVRFBDH-VQIMIIECSA-N 1 3 337.552 2.837 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001223487124 1311267422 /nfs/dbraw/zinc/26/74/22/1311267422.db2.gz FEIGABXEKWSLQD-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001223495386 1311268633 /nfs/dbraw/zinc/26/86/33/1311268633.db2.gz MNKFKEGRQDSPIX-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001223533158 1311272456 /nfs/dbraw/zinc/27/24/56/1311272456.db2.gz BHAGVEJUTPBKKZ-KRWDZBQOSA-N 1 3 329.504 2.541 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001223605822 1311281269 /nfs/dbraw/zinc/28/12/69/1311281269.db2.gz YHSHHUDOLFZUGY-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223655472 1311287492 /nfs/dbraw/zinc/28/74/92/1311287492.db2.gz YDFIZODRWWBPBO-UHFFFAOYSA-N 1 3 329.504 2.685 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038632088 1311305220 /nfs/dbraw/zinc/30/52/20/1311305220.db2.gz WEABGOYUTKBLMB-WDSOQIARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038632088 1311305222 /nfs/dbraw/zinc/30/52/22/1311305222.db2.gz WEABGOYUTKBLMB-WDSOQIARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430044 1311309587 /nfs/dbraw/zinc/30/95/87/1311309587.db2.gz BNXPGFLVMQLFRT-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430044 1311309588 /nfs/dbraw/zinc/30/95/88/1311309588.db2.gz BNXPGFLVMQLFRT-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001102524828 1311315845 /nfs/dbraw/zinc/31/58/45/1311315845.db2.gz YTEWFCGGVLQRNZ-RTBURBONSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001102524828 1311315849 /nfs/dbraw/zinc/31/58/49/1311315849.db2.gz YTEWFCGGVLQRNZ-RTBURBONSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001102525101 1311316042 /nfs/dbraw/zinc/31/60/42/1311316042.db2.gz KXWIFMYFUJWNIR-UYAOXDASSA-N 1 3 345.531 2.563 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001102525101 1311316045 /nfs/dbraw/zinc/31/60/45/1311316045.db2.gz KXWIFMYFUJWNIR-UYAOXDASSA-N 1 3 345.531 2.563 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047971445 1311339888 /nfs/dbraw/zinc/33/98/88/1311339888.db2.gz DIORVTMZIHAONX-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047974630 1311342257 /nfs/dbraw/zinc/34/22/57/1311342257.db2.gz DWIZBMOJDLKSOD-AEFFLSMTSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985427 1311351075 /nfs/dbraw/zinc/35/10/75/1311351075.db2.gz WYSXDVDLZAHNGG-DLBZAZTESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986185 1311351667 /nfs/dbraw/zinc/35/16/67/1311351667.db2.gz CIKOQHHHMGLHLB-DZGCQCFKSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001047986179 1311351832 /nfs/dbraw/zinc/35/18/32/1311351832.db2.gz CFJMKFQLQZNYEV-QAPCUYQASA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001047986500 1311352330 /nfs/dbraw/zinc/35/23/30/1311352330.db2.gz DIABZNWWDHMXOM-DZGCQCFKSA-N 1 3 346.500 2.657 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005713 1311365193 /nfs/dbraw/zinc/36/51/93/1311365193.db2.gz DNZREYLQYLRVPW-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048010112 1311368084 /nfs/dbraw/zinc/36/80/84/1311368084.db2.gz YULUPPPUXTYRTM-WMZOPIPTSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001224402722 1311385532 /nfs/dbraw/zinc/38/55/32/1311385532.db2.gz OAMPHBUSEDKVLT-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001224402227 1311385607 /nfs/dbraw/zinc/38/56/07/1311385607.db2.gz AGOMLLNOWMYWCD-LJQANCHMSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001224496098 1311398701 /nfs/dbraw/zinc/39/87/01/1311398701.db2.gz NNWMMFSJIVZGMF-IRXDYDNUSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224538629 1311404711 /nfs/dbraw/zinc/40/47/11/1311404711.db2.gz YKPBNBDZNKTSAV-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CCCC[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224559604 1311407359 /nfs/dbraw/zinc/40/73/59/1311407359.db2.gz PLNSDQYFMGZKEO-LJQANCHMSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001224559854 1311407373 /nfs/dbraw/zinc/40/73/73/1311407373.db2.gz PQRZVBPLDXQOPI-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO CCc1ccc(C[NH+]2CCC(CNC(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001224583055 1311410688 /nfs/dbraw/zinc/41/06/88/1311410688.db2.gz JKFRYBRXYOKKQJ-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001224583251 1311410975 /nfs/dbraw/zinc/41/09/75/1311410975.db2.gz NXWULONTKXDFPF-FQEVSTJZSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1)N(C)C ZINC001224583255 1311411050 /nfs/dbraw/zinc/41/10/50/1311411050.db2.gz OAUOMSAIZJLSFR-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001224592729 1311411923 /nfs/dbraw/zinc/41/19/23/1311411923.db2.gz TZDHMQYXDNVEET-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058709 1311418347 /nfs/dbraw/zinc/41/83/47/1311418347.db2.gz IPOPAXDRUALDHZ-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059596 1311418465 /nfs/dbraw/zinc/41/84/65/1311418465.db2.gz UNAMJABVKKOTJL-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048059336 1311418920 /nfs/dbraw/zinc/41/89/20/1311418920.db2.gz RKSHMUAGQYIJET-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048062101 1311420580 /nfs/dbraw/zinc/42/05/80/1311420580.db2.gz BUJKHDZOWAVFJS-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001048063704 1311422793 /nfs/dbraw/zinc/42/27/93/1311422793.db2.gz FLOMVYFUXBGJPB-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068212 1311426908 /nfs/dbraw/zinc/42/69/08/1311426908.db2.gz DVRQNDKGNBPPCX-AEFFLSMTSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001048068296 1311427464 /nfs/dbraw/zinc/42/74/64/1311427464.db2.gz VEFGEKOKSJBSRZ-RDJZCZTQSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069269 1311428858 /nfs/dbraw/zinc/42/88/58/1311428858.db2.gz OGRPUYUHRQINST-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001224910590 1311449543 /nfs/dbraw/zinc/44/95/43/1311449543.db2.gz AYOVWTVIVPBWLS-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001224911140 1311449663 /nfs/dbraw/zinc/44/96/63/1311449663.db2.gz KFRPYPHKRKIDMS-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001159155871 1311462656 /nfs/dbraw/zinc/46/26/56/1311462656.db2.gz VSVWXYVHTQZPNM-INIZCTEOSA-N 1 3 343.874 2.616 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014399895 1311497753 /nfs/dbraw/zinc/49/77/53/1311497753.db2.gz SDSHZNBECGDUNG-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014399895 1311497754 /nfs/dbraw/zinc/49/77/54/1311497754.db2.gz SDSHZNBECGDUNG-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CCC/C=C\CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278327 1311499291 /nfs/dbraw/zinc/49/92/91/1311499291.db2.gz PMHITMFPWNMJIM-WAYWQWQTSA-N 1 3 332.492 2.835 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014409815 1311502004 /nfs/dbraw/zinc/50/20/04/1311502004.db2.gz RZGRRJNNPWUIGP-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014409815 1311502006 /nfs/dbraw/zinc/50/20/06/1311502006.db2.gz RZGRRJNNPWUIGP-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014411654 1311502711 /nfs/dbraw/zinc/50/27/11/1311502711.db2.gz YTLUHYNHFBXAMN-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014411654 1311502715 /nfs/dbraw/zinc/50/27/15/1311502715.db2.gz YTLUHYNHFBXAMN-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014411656 1311502739 /nfs/dbraw/zinc/50/27/39/1311502739.db2.gz YTLUHYNHFBXAMN-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014411656 1311502743 /nfs/dbraw/zinc/50/27/43/1311502743.db2.gz YTLUHYNHFBXAMN-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014414855 1311504440 /nfs/dbraw/zinc/50/44/40/1311504440.db2.gz RTFUSXKEKXLLPW-UYAOXDASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014414855 1311504442 /nfs/dbraw/zinc/50/44/42/1311504442.db2.gz RTFUSXKEKXLLPW-UYAOXDASSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014416241 1311505190 /nfs/dbraw/zinc/50/51/90/1311505190.db2.gz ZASUNGNCUOEZHW-MSOLQXFVSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014416241 1311505195 /nfs/dbraw/zinc/50/51/95/1311505195.db2.gz ZASUNGNCUOEZHW-MSOLQXFVSA-N 1 3 349.544 2.744 20 0 EFADHO CCc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460145 1311519866 /nfs/dbraw/zinc/51/98/66/1311519866.db2.gz BJFABUYXERJJNM-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014476018 1311534906 /nfs/dbraw/zinc/53/49/06/1311534906.db2.gz NMBCIBWCELEUJX-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014476018 1311534909 /nfs/dbraw/zinc/53/49/09/1311534909.db2.gz NMBCIBWCELEUJX-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@@H+]1C ZINC001014482635 1311538082 /nfs/dbraw/zinc/53/80/82/1311538082.db2.gz HUQXUOHHJOANOH-UIAACRFSSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC[N@H+]1C ZINC001014482635 1311538086 /nfs/dbraw/zinc/53/80/86/1311538086.db2.gz HUQXUOHHJOANOH-UIAACRFSSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225542031 1311540166 /nfs/dbraw/zinc/54/01/66/1311540166.db2.gz GLPRRWINKLPSEA-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1CCN(Cc2ccsc2)CC1 ZINC001225563396 1311544055 /nfs/dbraw/zinc/54/40/55/1311544055.db2.gz DPWTVWYTRZZADW-UHFFFAOYSA-N 1 3 349.544 2.952 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001225581953 1311547392 /nfs/dbraw/zinc/54/73/92/1311547392.db2.gz AIIXVMBBLKFHDE-QRVBRYPASA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cc1F ZINC001225582776 1311547912 /nfs/dbraw/zinc/54/79/12/1311547912.db2.gz TYFMURXQBNSRCG-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cnc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c(N)c1 ZINC001159629794 1311555948 /nfs/dbraw/zinc/55/59/48/1311555948.db2.gz YLWQCNREYAFWTG-IYARVYRRSA-N 1 3 343.519 2.723 20 0 EFADHO Cc1cc(CN2CC[C@H]3CN(c4cc[nH+]c(C)c4)C[C@H]3CC2)n(C)n1 ZINC001277063878 1311563716 /nfs/dbraw/zinc/56/37/16/1311563716.db2.gz AIQRIJYVXDLSOC-HDICACEKSA-N 1 3 339.487 2.780 20 0 EFADHO CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C)c1 ZINC001277065686 1311567161 /nfs/dbraw/zinc/56/71/61/1311567161.db2.gz ZXNLQCBNVRDSKI-ALOPSCKCSA-N 1 3 325.460 2.896 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cc3ccccc3s2)CCC1 ZINC001159853693 1311597335 /nfs/dbraw/zinc/59/73/35/1311597335.db2.gz IAIDTTHIFPWKND-UHFFFAOYSA-N 1 3 345.512 2.982 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1F ZINC001159862129 1311599295 /nfs/dbraw/zinc/59/92/95/1311599295.db2.gz VYLLBGJKJLWFSE-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001159932060 1311611461 /nfs/dbraw/zinc/61/14/61/1311611461.db2.gz NTOABTARIGTFDV-FQEVSTJZSA-N 1 3 345.531 2.821 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC001159931505 1311611731 /nfs/dbraw/zinc/61/17/31/1311611731.db2.gz FCBGUVOIGSMEGO-LFIXQJEJSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159992536 1311625071 /nfs/dbraw/zinc/62/50/71/1311625071.db2.gz MDNSTWNJNHSZOG-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc(F)ccc1Cl)C1CCC1 ZINC001159997105 1311626330 /nfs/dbraw/zinc/62/63/30/1311626330.db2.gz GHADNRPKKIPTDC-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001159997663 1311626367 /nfs/dbraw/zinc/62/63/67/1311626367.db2.gz XHQQYUWWZHJUIV-GOSISDBHSA-N 1 3 349.906 2.908 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001160003326 1311626684 /nfs/dbraw/zinc/62/66/84/1311626684.db2.gz JLKAAPUHZKRMOR-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)C1CCC1 ZINC001160003638 1311627468 /nfs/dbraw/zinc/62/74/68/1311627468.db2.gz XXSKXZAOVJQVBD-IBGZPJMESA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1F ZINC001160003413 1311627476 /nfs/dbraw/zinc/62/74/76/1311627476.db2.gz NLSOYTOZPCXCNO-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048275059 1311628131 /nfs/dbraw/zinc/62/81/31/1311628131.db2.gz BYCKIRFKVAAAQO-SJLPKXTDSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048275060 1311628288 /nfs/dbraw/zinc/62/82/88/1311628288.db2.gz BYCKIRFKVAAAQO-WMZOPIPTSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001048277677 1311630680 /nfs/dbraw/zinc/63/06/80/1311630680.db2.gz NXPQQXWTIPGONU-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048282313 1311634653 /nfs/dbraw/zinc/63/46/53/1311634653.db2.gz ZKKRVSNVTCKVIP-WMZOPIPTSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]1CN(Cc2cccc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)c2)CCO1 ZINC000902345891 1311657821 /nfs/dbraw/zinc/65/78/21/1311657821.db2.gz BOLCJDGGFOLCJL-FXAWDEMLSA-N 1 3 345.531 2.775 20 0 EFADHO CN1CCc2ccc(Nc3cccc(CN4CC[NH2+]CC4)c3)cc2C1 ZINC001160241710 1311670422 /nfs/dbraw/zinc/67/04/22/1311670422.db2.gz LXGOYPQFIQTNDG-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705264 1311675823 /nfs/dbraw/zinc/67/58/23/1311675823.db2.gz NHBVRGUDQRHBDR-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705264 1311675827 /nfs/dbraw/zinc/67/58/27/1311675827.db2.gz NHBVRGUDQRHBDR-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001160291118 1311681476 /nfs/dbraw/zinc/68/14/76/1311681476.db2.gz DAEMUMHBCHAZKZ-SFHVURJKSA-N 1 3 339.499 2.771 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001160291118 1311681480 /nfs/dbraw/zinc/68/14/80/1311681480.db2.gz DAEMUMHBCHAZKZ-SFHVURJKSA-N 1 3 339.499 2.771 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001014722909 1311689141 /nfs/dbraw/zinc/68/91/41/1311689141.db2.gz NIGMECLOLVMAPK-DLBZAZTESA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001014722909 1311689144 /nfs/dbraw/zinc/68/91/44/1311689144.db2.gz NIGMECLOLVMAPK-DLBZAZTESA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724914 1311690799 /nfs/dbraw/zinc/69/07/99/1311690799.db2.gz YAGFJSFHXCWEQR-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724914 1311690803 /nfs/dbraw/zinc/69/08/03/1311690803.db2.gz YAGFJSFHXCWEQR-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000902384086 1311694761 /nfs/dbraw/zinc/69/47/61/1311694761.db2.gz GWLBYLTZRBODCO-SJORKVTESA-N 1 3 330.476 2.661 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)C1CC1 ZINC001160353373 1311695872 /nfs/dbraw/zinc/69/58/72/1311695872.db2.gz SUUFYYGVMAYLFM-FQEVSTJZSA-N 1 3 341.499 2.665 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001160353373 1311695875 /nfs/dbraw/zinc/69/58/75/1311695875.db2.gz SUUFYYGVMAYLFM-FQEVSTJZSA-N 1 3 341.499 2.665 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CCCCCF)CC1)C1CC1 ZINC001160360262 1311696662 /nfs/dbraw/zinc/69/66/62/1311696662.db2.gz MKJDLSZZOWMNDO-SFHVURJKSA-N 1 3 339.499 2.605 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)C1CC1 ZINC001160360262 1311696664 /nfs/dbraw/zinc/69/66/64/1311696664.db2.gz MKJDLSZZOWMNDO-SFHVURJKSA-N 1 3 339.499 2.605 20 0 EFADHO CC/C=C\CC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379868 1311700074 /nfs/dbraw/zinc/70/00/74/1311700074.db2.gz PPUKVRRMVAMQJX-PLNGDYQASA-N 1 3 333.520 2.965 20 0 EFADHO CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379868 1311700080 /nfs/dbraw/zinc/70/00/80/1311700080.db2.gz PPUKVRRMVAMQJX-PLNGDYQASA-N 1 3 333.520 2.965 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCNCc1c(F)cccc1Cl)[NH+](C)C ZINC001160421006 1311707095 /nfs/dbraw/zinc/70/70/95/1311707095.db2.gz OGJAAQTXYKDONP-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001160421932 1311707133 /nfs/dbraw/zinc/70/71/33/1311707133.db2.gz YAUSSGNOYKHAFI-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(F)c1Cl)N(C)C ZINC001160426412 1311707688 /nfs/dbraw/zinc/70/76/88/1311707688.db2.gz FKAVSTZKQQZVJD-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)c1 ZINC001096344564 1311711054 /nfs/dbraw/zinc/71/10/54/1311711054.db2.gz OLVZVQNVOXMLSL-ZRNYENFQSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)c1 ZINC001096344564 1311711057 /nfs/dbraw/zinc/71/10/57/1311711057.db2.gz OLVZVQNVOXMLSL-ZRNYENFQSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096344334 1311711153 /nfs/dbraw/zinc/71/11/53/1311711153.db2.gz KQCUTKGBPBFVSY-YRPNKDGESA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096344334 1311711156 /nfs/dbraw/zinc/71/11/56/1311711156.db2.gz KQCUTKGBPBFVSY-YRPNKDGESA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902403978 1311714340 /nfs/dbraw/zinc/71/43/40/1311714340.db2.gz GUKKKEIJQFURFB-UXHICEINSA-N 1 3 345.531 2.564 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001160473993 1311718466 /nfs/dbraw/zinc/71/84/66/1311718466.db2.gz WBMCRIDMDQYKNZ-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001160473993 1311718470 /nfs/dbraw/zinc/71/84/70/1311718470.db2.gz WBMCRIDMDQYKNZ-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001226774052 1311721105 /nfs/dbraw/zinc/72/11/05/1311721105.db2.gz IVNLYJUEJLXOOJ-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F)C1CCC1 ZINC001226825283 1311729049 /nfs/dbraw/zinc/72/90/49/1311729049.db2.gz ZMVMNOYEWBEZKS-RTBURBONSA-N 1 3 347.478 2.827 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001226824879 1311729157 /nfs/dbraw/zinc/72/91/57/1311729157.db2.gz QDNFJRZSVHPHCA-RTBURBONSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001048385345 1311730832 /nfs/dbraw/zinc/73/08/32/1311730832.db2.gz ANHPHPVWODITCA-NVXWUHKLSA-N 1 3 349.544 2.664 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048388137 1311733227 /nfs/dbraw/zinc/73/32/27/1311733227.db2.gz VCRYTNKEUMBWSX-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048388134 1311733443 /nfs/dbraw/zinc/73/34/43/1311733443.db2.gz VCRYTNKEUMBWSX-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048389109 1311734210 /nfs/dbraw/zinc/73/42/10/1311734210.db2.gz ZCYUCVIZQGYIDW-WMZOPIPTSA-N 1 3 349.563 2.839 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001226941536 1311744044 /nfs/dbraw/zinc/74/40/44/1311744044.db2.gz CSTWJVUGYWBUEL-OAGGEKHMSA-N 1 3 345.478 2.635 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048416982 1311754513 /nfs/dbraw/zinc/75/45/13/1311754513.db2.gz HVPQGNMSSWIIAZ-AZUAARDMSA-N 1 3 343.515 2.603 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F)N(C)C ZINC001227057167 1311756135 /nfs/dbraw/zinc/75/61/35/1311756135.db2.gz PKAIYRJQHWUWCP-KZNAEPCWSA-N 1 3 335.467 2.683 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC001227090074 1311760166 /nfs/dbraw/zinc/76/01/66/1311760166.db2.gz DETLMEPYRLTEBG-HQZAUCPKSA-N 1 3 348.318 2.807 20 0 EFADHO O=C([C@H]1CCC[C@]12CCN(CCC[NH+]1CCCCC1)C2)N1CC=CC1 ZINC001277183062 1311765842 /nfs/dbraw/zinc/76/58/42/1311765842.db2.gz LARPAOKJXUMAPI-TZIWHRDSSA-N 1 3 345.531 2.753 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC001227150560 1311769278 /nfs/dbraw/zinc/76/92/78/1311769278.db2.gz UEGPEWZQMXYWEK-HZPDHXFCSA-N 1 3 337.533 2.995 20 0 EFADHO CC[C@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160728862 1311769638 /nfs/dbraw/zinc/76/96/38/1311769638.db2.gz GFTDGSHEONRNNV-JENIJYKNSA-N 1 3 341.540 2.835 20 0 EFADHO CC[C@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160728863 1311770039 /nfs/dbraw/zinc/77/00/39/1311770039.db2.gz GFTDGSHEONRNNV-LNLFQRSKSA-N 1 3 341.540 2.835 20 0 EFADHO CNc1ccc(C)cc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000902473228 1311771663 /nfs/dbraw/zinc/77/16/63/1311771663.db2.gz VKTAVDIURLIVMA-HXUWFJFHSA-N 1 3 339.483 2.893 20 0 EFADHO CNc1ccc(C)cc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000902473228 1311771664 /nfs/dbraw/zinc/77/16/64/1311771664.db2.gz VKTAVDIURLIVMA-HXUWFJFHSA-N 1 3 339.483 2.893 20 0 EFADHO CN(Cc1ccccc1Oc1ccccc1)C(=O)[C@@H](N)CCCC[NH3+] ZINC001160750437 1311773904 /nfs/dbraw/zinc/77/39/04/1311773904.db2.gz HAOAYCXAUJICBB-SFHVURJKSA-N 1 3 341.455 2.894 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001014908572 1311794147 /nfs/dbraw/zinc/79/41/47/1311794147.db2.gz IRRUDFZACDRTJK-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001160883367 1311802955 /nfs/dbraw/zinc/80/29/55/1311802955.db2.gz LFBJMZHMSAOXFK-OAHLLOKOSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(C(C)C)ccc1OC)N(C)C ZINC001160889719 1311803702 /nfs/dbraw/zinc/80/37/02/1311803702.db2.gz QDGJOKUWPGLUEO-GOSISDBHSA-N 1 3 349.519 2.755 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001160890069 1311803882 /nfs/dbraw/zinc/80/38/82/1311803882.db2.gz UGJTUIPQWFBDAN-PKOBYXMFSA-N 1 3 331.504 2.543 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001048481619 1311812367 /nfs/dbraw/zinc/81/23/67/1311812367.db2.gz ZYIQGYFVPWALCH-QFBILLFUSA-N 1 3 343.515 2.846 20 0 EFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160939553 1311815037 /nfs/dbraw/zinc/81/50/37/1311815037.db2.gz BQQKHXVCENDMSI-SJORKVTESA-N 1 3 349.425 2.503 20 0 EFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160939553 1311815038 /nfs/dbraw/zinc/81/50/38/1311815038.db2.gz BQQKHXVCENDMSI-SJORKVTESA-N 1 3 349.425 2.503 20 0 EFADHO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160956411 1311821070 /nfs/dbraw/zinc/82/10/70/1311821070.db2.gz MHVHPCBTSROILI-XEYPJELSSA-N 1 3 343.515 2.744 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001014956571 1311821073 /nfs/dbraw/zinc/82/10/73/1311821073.db2.gz WAKNNXUUTQPUDK-AEFFLSMTSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001014956571 1311821076 /nfs/dbraw/zinc/82/10/76/1311821076.db2.gz WAKNNXUUTQPUDK-AEFFLSMTSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001160956767 1311821394 /nfs/dbraw/zinc/82/13/94/1311821394.db2.gz NGAVANTYGSBRHD-NBYUQASBSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160956409 1311821403 /nfs/dbraw/zinc/82/14/03/1311821403.db2.gz MHVHPCBTSROILI-BWPNAZKDSA-N 1 3 343.515 2.744 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965964 1311828818 /nfs/dbraw/zinc/82/88/18/1311828818.db2.gz WRNDPIZLIZXOQE-FUHWJXTLSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965964 1311828821 /nfs/dbraw/zinc/82/88/21/1311828821.db2.gz WRNDPIZLIZXOQE-FUHWJXTLSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001014965964 1311828824 /nfs/dbraw/zinc/82/88/24/1311828824.db2.gz WRNDPIZLIZXOQE-FUHWJXTLSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC001014965964 1311828827 /nfs/dbraw/zinc/82/88/27/1311828827.db2.gz WRNDPIZLIZXOQE-FUHWJXTLSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965960 1311828856 /nfs/dbraw/zinc/82/88/56/1311828856.db2.gz WRNDPIZLIZXOQE-AEFFLSMTSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2Cl)C1 ZINC001014965960 1311828859 /nfs/dbraw/zinc/82/88/59/1311828859.db2.gz WRNDPIZLIZXOQE-AEFFLSMTSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001014965960 1311828862 /nfs/dbraw/zinc/82/88/62/1311828862.db2.gz WRNDPIZLIZXOQE-AEFFLSMTSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2Cl)C1 ZINC001014965960 1311828865 /nfs/dbraw/zinc/82/88/65/1311828865.db2.gz WRNDPIZLIZXOQE-AEFFLSMTSA-N 1 3 349.906 2.557 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001227618751 1311831612 /nfs/dbraw/zinc/83/16/12/1311831612.db2.gz IZTAUNIQELRKHI-LJQANCHMSA-N 1 3 349.494 2.756 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCSCC1 ZINC000902522810 1311832771 /nfs/dbraw/zinc/83/27/71/1311832771.db2.gz YKLWRIYNXGMXIV-PKOBYXMFSA-N 1 3 348.512 2.744 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001227797230 1311857374 /nfs/dbraw/zinc/85/73/74/1311857374.db2.gz DOPWZVHPLVHEEA-OXQOHEQNSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001227807199 1311858914 /nfs/dbraw/zinc/85/89/14/1311858914.db2.gz MBMKQRCBUKNSPC-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCC2CCCCC2)CC1)C1CC1 ZINC001227816239 1311860373 /nfs/dbraw/zinc/86/03/73/1311860373.db2.gz CKGAUHVNVQALOF-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC001227818310 1311860630 /nfs/dbraw/zinc/86/06/30/1311860630.db2.gz UQAZNNWFBVLSHF-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001227817919 1311860778 /nfs/dbraw/zinc/86/07/78/1311860778.db2.gz PDHQDFKXRRNGIO-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1)C1CC1 ZINC001227817843 1311861081 /nfs/dbraw/zinc/86/10/81/1311861081.db2.gz NLTQUJLQRYLSHS-OAHLLOKOSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001227832706 1311863794 /nfs/dbraw/zinc/86/37/94/1311863794.db2.gz MIQAMRXDGCFDMX-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)N1CCCC1 ZINC001227900037 1311871304 /nfs/dbraw/zinc/87/13/04/1311871304.db2.gz GHMNXPXSXMDVKJ-ZIAGYGMSSA-N 1 3 349.441 2.830 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)N1CCCC1 ZINC001227900184 1311871341 /nfs/dbraw/zinc/87/13/41/1311871341.db2.gz JOYFYZAGNGULGV-IKQZUGGXSA-N 1 3 327.900 2.630 20 0 EFADHO CN(CCN(C)C(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC001161161700 1311872226 /nfs/dbraw/zinc/87/22/26/1311872226.db2.gz XSKURKPUPICDNY-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1ccc(CN(C(=O)[C@H]2CNC[C@H](F)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395546 1311878103 /nfs/dbraw/zinc/87/81/03/1311878103.db2.gz FSLRXALYEIONNS-NCXUSEDFSA-N 1 3 347.478 2.541 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001015051368 1311882941 /nfs/dbraw/zinc/88/29/41/1311882941.db2.gz AROGUSJLKQZETE-FUHWJXTLSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001015051368 1311882945 /nfs/dbraw/zinc/88/29/45/1311882945.db2.gz AROGUSJLKQZETE-FUHWJXTLSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC001227987442 1311885048 /nfs/dbraw/zinc/88/50/48/1311885048.db2.gz ZOEXECZZVZQJGW-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001161436540 1311889079 /nfs/dbraw/zinc/88/90/79/1311889079.db2.gz LAKTZRCRPLVEFW-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)CCN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001161442996 1311890831 /nfs/dbraw/zinc/89/08/31/1311890831.db2.gz KCTMUIGMCTXRNI-FQEVSTJZSA-N 1 3 339.483 2.525 20 0 EFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444175 1311891218 /nfs/dbraw/zinc/89/12/18/1311891218.db2.gz DLTIREMFCOHYEZ-AKHDSKFASA-N 1 3 337.552 2.837 20 0 EFADHO CCc1ccc(C(C)(C)C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161445126 1311891613 /nfs/dbraw/zinc/89/16/13/1311891613.db2.gz OBOCQHXRMAUMQL-LJQANCHMSA-N 1 3 345.531 2.669 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC001161445337 1311891761 /nfs/dbraw/zinc/89/17/61/1311891761.db2.gz OOPXWHPITLRUBB-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)CN2CC[C@H](C)C2)[NH+](C)C)cc1 ZINC001413057540 1311891965 /nfs/dbraw/zinc/89/19/65/1311891965.db2.gz LAWZJABTCBQMFI-PXNSSMCTSA-N 1 3 345.531 2.946 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001161448253 1311892068 /nfs/dbraw/zinc/89/20/68/1311892068.db2.gz AGAUFHLWVDYCRY-KRWDZBQOSA-N 1 3 347.503 2.620 20 0 EFADHO CN1CCC(N(C(=O)C23CCC([NH3+])(CC2)CC3)C2CCCC2)CC1 ZINC001161453963 1311892987 /nfs/dbraw/zinc/89/29/87/1311892987.db2.gz OZXULSJHEQXFTH-UHFFFAOYSA-N 1 3 333.520 2.904 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453929 1311893068 /nfs/dbraw/zinc/89/30/68/1311893068.db2.gz NXLDWVXDZJORMV-HUUCEWRRSA-N 1 3 343.393 2.825 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001228055320 1311895390 /nfs/dbraw/zinc/89/53/90/1311895390.db2.gz ZXQGQCVFWJEUBK-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001228055320 1311895392 /nfs/dbraw/zinc/89/53/92/1311895392.db2.gz ZXQGQCVFWJEUBK-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088501 1311903399 /nfs/dbraw/zinc/90/33/99/1311903399.db2.gz BXSVSYIDFFKGIJ-IBGZPJMESA-N 1 3 341.499 2.568 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091563 1311905823 /nfs/dbraw/zinc/90/58/23/1311905823.db2.gz WYQWYKWANBPEGO-ZWKOTPCHSA-N 1 3 341.499 2.875 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)CC1 ZINC001228224427 1311917505 /nfs/dbraw/zinc/91/75/05/1311917505.db2.gz HEONDQVDKFZJSB-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12)C1CCCC1 ZINC001161584022 1311922550 /nfs/dbraw/zinc/92/25/50/1311922550.db2.gz ZVJHNCMFUXSCED-UHFFFAOYSA-N 1 3 341.499 2.524 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001228377323 1311938763 /nfs/dbraw/zinc/93/87/63/1311938763.db2.gz NCSOJQOGHPECNN-QZTJIDSGSA-N 1 3 335.467 2.603 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)c1 ZINC001048590747 1311943019 /nfs/dbraw/zinc/94/30/19/1311943019.db2.gz YLRONGNWCKXNRS-GGPHIMKMSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)c1 ZINC001048590747 1311943020 /nfs/dbraw/zinc/94/30/20/1311943020.db2.gz YLRONGNWCKXNRS-GGPHIMKMSA-N 1 3 347.478 2.691 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(Cl)Cl)C1 ZINC001228602688 1311968790 /nfs/dbraw/zinc/96/87/90/1311968790.db2.gz JHVIUHCTIYNYJJ-BFHYXJOUSA-N 1 3 348.318 2.664 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001228646954 1311975165 /nfs/dbraw/zinc/97/51/65/1311975165.db2.gz MFYQQVNHLRKMBK-QRVBRYPASA-N 1 3 346.519 2.556 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646900 1311975213 /nfs/dbraw/zinc/97/52/13/1311975213.db2.gz LPVKFAGMVHPCTE-ARFHVFGLSA-N 1 3 329.504 2.729 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646644 1311975427 /nfs/dbraw/zinc/97/54/27/1311975427.db2.gz JCCHWPKUCOSMAI-BZUAXINKSA-N 1 3 329.504 2.729 20 0 EFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3ccc4n3CCC4)(C1)CCC2 ZINC001277330895 1312002495 /nfs/dbraw/zinc/00/24/95/1312002495.db2.gz YLVZKHOQPDGBBV-UXHICEINSA-N 1 3 347.503 2.579 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001161942346 1312009740 /nfs/dbraw/zinc/00/97/40/1312009740.db2.gz POGSBVFLWGXIFF-UHFFFAOYSA-N 1 3 329.488 2.665 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001161942346 1312009737 /nfs/dbraw/zinc/00/97/37/1312009737.db2.gz POGSBVFLWGXIFF-UHFFFAOYSA-N 1 3 329.488 2.665 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161946737 1312011344 /nfs/dbraw/zinc/01/13/44/1312011344.db2.gz AAPHGEOKTSTEIF-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161946737 1312011345 /nfs/dbraw/zinc/01/13/45/1312011345.db2.gz AAPHGEOKTSTEIF-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO CC[C@H](F)CN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953046 1312012620 /nfs/dbraw/zinc/01/26/20/1312012620.db2.gz OZBOCOLNNBTDHU-ZWKOTPCHSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@H](F)CN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953046 1312012623 /nfs/dbraw/zinc/01/26/23/1312012623.db2.gz OZBOCOLNNBTDHU-ZWKOTPCHSA-N 1 3 339.499 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(Cc2cc3ccccc3o2)CC1 ZINC001228879385 1312014449 /nfs/dbraw/zinc/01/44/49/1312014449.db2.gz MOEJDBAEPZTUFB-UHFFFAOYSA-N 1 3 343.471 2.855 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001228904928 1312018030 /nfs/dbraw/zinc/01/80/30/1312018030.db2.gz ZLWLTPVIYNFNIM-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904491 1312018210 /nfs/dbraw/zinc/01/82/10/1312018210.db2.gz JGSNRGNEHQQXFE-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CN(C)Cc1ccnc(N2CCC([NH3+])(Cc3ccccc3F)CC2)c1 ZINC001161989811 1312023075 /nfs/dbraw/zinc/02/30/75/1312023075.db2.gz HBWANSRWZHNGJQ-UHFFFAOYSA-N 1 3 342.462 2.823 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001228998818 1312033924 /nfs/dbraw/zinc/03/39/24/1312033924.db2.gz JAGWYNZBIBVYOZ-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC001229000095 1312034342 /nfs/dbraw/zinc/03/43/42/1312034342.db2.gz ZOOKVPKOIIQRDL-ONEGZZNKSA-N 1 3 349.906 2.886 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008735 1312034891 /nfs/dbraw/zinc/03/48/91/1312034891.db2.gz VQWCFOONHPWMTD-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCCCCF)CC1)CC(C)(C)C ZINC001229215872 1312062761 /nfs/dbraw/zinc/06/27/61/1312062761.db2.gz WHELECSNUGTBGS-UHFFFAOYSA-N 1 3 329.504 2.685 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001229224345 1312063803 /nfs/dbraw/zinc/06/38/03/1312063803.db2.gz YHECUNXTGZMLGW-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)[C@H](CC)N(C)C)CC2)c1 ZINC001229223742 1312064037 /nfs/dbraw/zinc/06/40/37/1312064037.db2.gz QETWQASRDLPXCY-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2cccc(F)c2)CC1)N(C)C ZINC001229233737 1312064987 /nfs/dbraw/zinc/06/49/87/1312064987.db2.gz ONCJTQJVAHMROF-IBGZPJMESA-N 1 3 349.494 2.679 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001229238647 1312065973 /nfs/dbraw/zinc/06/59/73/1312065973.db2.gz RUSPDWDPDBNNNP-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccccc1CC[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229254487 1312068151 /nfs/dbraw/zinc/06/81/51/1312068151.db2.gz SKHBAGKMHYSTGT-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)N(C)C ZINC001229253850 1312068180 /nfs/dbraw/zinc/06/81/80/1312068180.db2.gz LITHXQZMXOVHAD-OALUTQOASA-N 1 3 329.488 2.595 20 0 EFADHO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000902757119 1312081831 /nfs/dbraw/zinc/08/18/31/1312081831.db2.gz OKTXCBUMEQKWJH-RTWAWAEBSA-N 1 3 345.531 2.871 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015386110 1312088639 /nfs/dbraw/zinc/08/86/39/1312088639.db2.gz GUFSUDRYSRKMTN-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015388298 1312089245 /nfs/dbraw/zinc/08/92/45/1312089245.db2.gz OYGFGVBTHAAPBE-RTBURBONSA-N 1 3 331.504 2.552 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001229462963 1312100255 /nfs/dbraw/zinc/10/02/55/1312100255.db2.gz UTUDBFUNNBEXHB-GOSISDBHSA-N 1 3 341.515 2.970 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CCN(Cc1ccco1)CC2 ZINC001277398848 1312112803 /nfs/dbraw/zinc/11/28/03/1312112803.db2.gz CDGQWXLODHWWDA-GOSISDBHSA-N 1 3 347.503 2.682 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3ccccc3F)(C1)C2 ZINC001277414063 1312128441 /nfs/dbraw/zinc/12/84/41/1312128441.db2.gz CUXTZRJVHMZQOO-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC001229859923 1312150512 /nfs/dbraw/zinc/15/05/12/1312150512.db2.gz HXNJVZZSURLMEH-RTBURBONSA-N 1 3 347.503 2.554 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001229868420 1312151726 /nfs/dbraw/zinc/15/17/26/1312151726.db2.gz FZMNNZDINXYVAO-CHWSQXEVSA-N 1 3 336.307 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001229869123 1312152040 /nfs/dbraw/zinc/15/20/40/1312152040.db2.gz YGUHPWOTKUXOGR-BZUAXINKSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCN(CCCc2ccsc2)C1)[NH+]1CCCC1 ZINC001015497402 1312152520 /nfs/dbraw/zinc/15/25/20/1312152520.db2.gz DVWNHFMQFAOMQU-KRWDZBQOSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)c1 ZINC001015502575 1312156256 /nfs/dbraw/zinc/15/62/56/1312156256.db2.gz GMBQTYZTJAJTBJ-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001015506107 1312157697 /nfs/dbraw/zinc/15/76/97/1312157697.db2.gz XJLXUTSEJOTXSV-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001015506107 1312157700 /nfs/dbraw/zinc/15/77/00/1312157700.db2.gz XJLXUTSEJOTXSV-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC001229907910 1312158363 /nfs/dbraw/zinc/15/83/63/1312158363.db2.gz BUGHOVHRAPUEJL-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC001229907910 1312158364 /nfs/dbraw/zinc/15/83/64/1312158364.db2.gz BUGHOVHRAPUEJL-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820816 1312165707 /nfs/dbraw/zinc/16/57/07/1312165707.db2.gz PVRMLCKPGRTGAN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820816 1312165710 /nfs/dbraw/zinc/16/57/10/1312165710.db2.gz PVRMLCKPGRTGAN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO COCC[N@H+](C)Cc1ccnc(-n2c3ccccc3nc2[C@H](C)N)c1 ZINC001162764574 1312171287 /nfs/dbraw/zinc/17/12/87/1312171287.db2.gz YVUCYXYFGLRYIH-AWEZNQCLSA-N 1 3 339.443 2.518 20 0 EFADHO COCC[N@@H+](C)Cc1ccnc(-n2c3ccccc3nc2[C@H](C)N)c1 ZINC001162764574 1312171290 /nfs/dbraw/zinc/17/12/90/1312171290.db2.gz YVUCYXYFGLRYIH-AWEZNQCLSA-N 1 3 339.443 2.518 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230089933 1312185316 /nfs/dbraw/zinc/18/53/16/1312185316.db2.gz BCWIKSKDIWVIIY-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832393 1312186535 /nfs/dbraw/zinc/18/65/35/1312186535.db2.gz RBOBKTFHRWSYAC-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001230112795 1312188540 /nfs/dbraw/zinc/18/85/40/1312188540.db2.gz AFLBGZDMAUQALV-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001230112852 1312188705 /nfs/dbraw/zinc/18/87/05/1312188705.db2.gz CXXOAKNPBQTZLR-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO [NH3+][C@H]1Cc2ccccc2N(c2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001162854402 1312190740 /nfs/dbraw/zinc/19/07/40/1312190740.db2.gz SUFFSWMSPVNPIR-PXNSSMCTSA-N 1 3 348.450 2.622 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597071 1312203695 /nfs/dbraw/zinc/20/36/95/1312203695.db2.gz LOQPCELLGBAUDV-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597071 1312203699 /nfs/dbraw/zinc/20/36/99/1312203699.db2.gz LOQPCELLGBAUDV-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596964 1312204070 /nfs/dbraw/zinc/20/40/70/1312204070.db2.gz KUWVPXUARRSEGS-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596964 1312204075 /nfs/dbraw/zinc/20/40/75/1312204075.db2.gz KUWVPXUARRSEGS-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1)N(C)C ZINC001162924294 1312204910 /nfs/dbraw/zinc/20/49/10/1312204910.db2.gz LGKTVXYZBPNMJA-HXUWFJFHSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928379 1312206222 /nfs/dbraw/zinc/20/62/22/1312206222.db2.gz IFGHZGLUGHQXER-GOSISDBHSA-N 1 3 331.504 2.542 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1)N(C)C ZINC001162935173 1312206664 /nfs/dbraw/zinc/20/66/64/1312206664.db2.gz RZKGFOQLNINGSO-IBGZPJMESA-N 1 3 333.520 2.644 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603782 1312209659 /nfs/dbraw/zinc/20/96/59/1312209659.db2.gz YGNZZPKNBQSGFA-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603782 1312209660 /nfs/dbraw/zinc/20/96/60/1312209660.db2.gz YGNZZPKNBQSGFA-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001015612123 1312214451 /nfs/dbraw/zinc/21/44/51/1312214451.db2.gz SCORCHFLKXDUDW-RYQLBKOJSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001015612123 1312214455 /nfs/dbraw/zinc/21/44/55/1312214455.db2.gz SCORCHFLKXDUDW-RYQLBKOJSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c(C)n1 ZINC001230280479 1312214715 /nfs/dbraw/zinc/21/47/15/1312214715.db2.gz YWGLPRFXZZDQQV-RTBURBONSA-N 1 3 346.519 2.556 20 0 EFADHO C[N@H+]1CC[C@H]2CN(Cc3c[nH]c(NC(=O)OC(C)(C)C)n3)C[C@H]2CC1 ZINC001277452385 1312215816 /nfs/dbraw/zinc/21/58/16/1312215816.db2.gz SWIGAAQSGSZBAN-OKILXGFUSA-N 1 3 349.479 2.530 20 0 EFADHO C[N@@H+]1CC[C@H]2CN(Cc3c[nH]c(NC(=O)OC(C)(C)C)n3)C[C@H]2CC1 ZINC001277452385 1312215820 /nfs/dbraw/zinc/21/58/20/1312215820.db2.gz SWIGAAQSGSZBAN-OKILXGFUSA-N 1 3 349.479 2.530 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007466 1312225083 /nfs/dbraw/zinc/22/50/83/1312225083.db2.gz VBYQQRIFFCNCEI-UHFFFAOYSA-N 1 3 333.520 2.644 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC001230366722 1312230382 /nfs/dbraw/zinc/23/03/82/1312230382.db2.gz FDRYFTOHDADOBG-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2C1)N(C)C ZINC001048891950 1312231428 /nfs/dbraw/zinc/23/14/28/1312231428.db2.gz XJWAWBYEPAGOFQ-WSTZPKSXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2C1)N(C)C ZINC001048891950 1312231432 /nfs/dbraw/zinc/23/14/32/1312231432.db2.gz XJWAWBYEPAGOFQ-WSTZPKSXSA-N 1 3 343.515 2.534 20 0 EFADHO Fc1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)cc1CN1CCCC1 ZINC001163094680 1312239206 /nfs/dbraw/zinc/23/92/06/1312239206.db2.gz AJQORIYISVSDRS-MRXNPFEDSA-N 1 3 333.451 2.602 20 0 EFADHO CCN(CC)Cc1cccc(NCC[C@H]2CCOC23C[NH2+]C3)c1F ZINC001163096525 1312239777 /nfs/dbraw/zinc/23/97/77/1312239777.db2.gz VYAJPYPUPVOXJR-INIZCTEOSA-N 1 3 335.467 2.848 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(SC)nc2ccccc21 ZINC001163125654 1312246372 /nfs/dbraw/zinc/24/63/72/1312246372.db2.gz GKCOCLVSMAMXOA-UHFFFAOYSA-N 1 3 332.477 2.630 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2cccc(C)c21 ZINC001163128627 1312246694 /nfs/dbraw/zinc/24/66/94/1312246694.db2.gz NWXGFJXXMAWAPH-UHFFFAOYSA-N 1 3 334.855 2.870 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1ncccc1OCc1ccccc1 ZINC001163129475 1312246749 /nfs/dbraw/zinc/24/67/49/1312246749.db2.gz ZVLUICQGBNTOLZ-UHFFFAOYSA-N 1 3 341.459 2.939 20 0 EFADHO [NH3+][C@@H]1CCN(Cc2cccc(N[C@@H]3CNCc4ccsc43)c2)C1 ZINC001163229223 1312270177 /nfs/dbraw/zinc/27/01/77/1312270177.db2.gz HJPBVLFVZYUETO-NVXWUHKLSA-N 1 3 328.485 2.538 20 0 EFADHO C[NH+](C)Cc1c[nH]c2nccc(N[C@@H]3CNCc4ccsc43)c12 ZINC001163230807 1312270930 /nfs/dbraw/zinc/27/09/30/1312270930.db2.gz RAGDZDWXTYEQQM-CQSZACIVSA-N 1 3 327.457 2.942 20 0 EFADHO c1cc(CN2CCCCC2)cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163277402 1312280399 /nfs/dbraw/zinc/28/03/99/1312280399.db2.gz FSDMWVVVBJNODG-QUCCMNQESA-N 1 3 344.503 2.638 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610624 1312282103 /nfs/dbraw/zinc/28/21/03/1312282103.db2.gz FHPAGWGSJRBYGN-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610624 1312282105 /nfs/dbraw/zinc/28/21/05/1312282105.db2.gz FHPAGWGSJRBYGN-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610622 1312282337 /nfs/dbraw/zinc/28/23/37/1312282337.db2.gz FHPAGWGSJRBYGN-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610622 1312282339 /nfs/dbraw/zinc/28/23/39/1312282339.db2.gz FHPAGWGSJRBYGN-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230610675 1312282377 /nfs/dbraw/zinc/28/23/77/1312282377.db2.gz GPQNGHRIWCXCRK-DKISHCGFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230610675 1312282378 /nfs/dbraw/zinc/28/23/78/1312282378.db2.gz GPQNGHRIWCXCRK-DKISHCGFSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001015695224 1312282651 /nfs/dbraw/zinc/28/26/51/1312282651.db2.gz GZAOSNSBIKZEKQ-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001015695224 1312282655 /nfs/dbraw/zinc/28/26/55/1312282655.db2.gz GZAOSNSBIKZEKQ-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230611539 1312283648 /nfs/dbraw/zinc/28/36/48/1312283648.db2.gz UOHQEYSZGZSJQD-WMZOPIPTSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230611539 1312283654 /nfs/dbraw/zinc/28/36/54/1312283654.db2.gz UOHQEYSZGZSJQD-WMZOPIPTSA-N 1 3 341.515 2.779 20 0 EFADHO CN1CCCC[C@@H]1c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001163312990 1312287237 /nfs/dbraw/zinc/28/72/37/1312287237.db2.gz ABIHYHFWKRSVFK-ZHALLVOQSA-N 1 3 330.476 2.561 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713232 1312296705 /nfs/dbraw/zinc/29/67/05/1312296705.db2.gz KVBJBAXGRCDPBJ-IBGZPJMESA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1 ZINC001230777856 1312338918 /nfs/dbraw/zinc/33/89/18/1312338918.db2.gz FINZTCLKMWAIIH-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccnc1 ZINC001230777856 1312338922 /nfs/dbraw/zinc/33/89/22/1312338922.db2.gz FINZTCLKMWAIIH-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781655 1312340649 /nfs/dbraw/zinc/34/06/49/1312340649.db2.gz SFDOYULSPRXUBW-IBGZPJMESA-N 1 3 348.535 2.632 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781655 1312340653 /nfs/dbraw/zinc/34/06/53/1312340653.db2.gz SFDOYULSPRXUBW-IBGZPJMESA-N 1 3 348.535 2.632 20 0 EFADHO CC[C@@H](C)C[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783864 1312342140 /nfs/dbraw/zinc/34/21/40/1312342140.db2.gz UBQKVIWOXAYKHB-IEBWSBKVSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@@H](C)C[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783864 1312342142 /nfs/dbraw/zinc/34/21/42/1312342142.db2.gz UBQKVIWOXAYKHB-IEBWSBKVSA-N 1 3 348.535 2.776 20 0 EFADHO CCN(CCCNC(=O)CC1([NH+](C)C)CCCC1)Cc1cccnc1 ZINC001230808200 1312351801 /nfs/dbraw/zinc/35/18/01/1312351801.db2.gz UJEHILBSWQZUOQ-UHFFFAOYSA-N 1 3 346.519 2.674 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001015793875 1312363953 /nfs/dbraw/zinc/36/39/53/1312363953.db2.gz CSUIWSLCFUTSAV-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1C ZINC001015794045 1312364178 /nfs/dbraw/zinc/36/41/78/1312364178.db2.gz FPFWLVJTNMNFJD-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001015796726 1312366392 /nfs/dbraw/zinc/36/63/92/1312366392.db2.gz PGDVWRYIXKHEKM-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@H+](CCCNC(=O)CN(C)CC(C)(C)C)Cc1cccnc1 ZINC001230846794 1312369743 /nfs/dbraw/zinc/36/97/43/1312369743.db2.gz XKFNLVKAIKOYBJ-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CCC[N@@H+](CCCNC(=O)CN(C)CC(C)(C)C)Cc1cccnc1 ZINC001230846794 1312369746 /nfs/dbraw/zinc/36/97/46/1312369746.db2.gz XKFNLVKAIKOYBJ-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846704 1312370087 /nfs/dbraw/zinc/37/00/87/1312370087.db2.gz VAQFCORJOZHZLM-GOSISDBHSA-N 1 3 346.519 2.532 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1cccnc1 ZINC001230846704 1312370091 /nfs/dbraw/zinc/37/00/91/1312370091.db2.gz VAQFCORJOZHZLM-GOSISDBHSA-N 1 3 346.519 2.532 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)CN1CCC[C@H]1C)Cc1cccnc1 ZINC001230846771 1312370285 /nfs/dbraw/zinc/37/02/85/1312370285.db2.gz WSTHUIDDHJOKLF-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)CN1CCC[C@H]1C)Cc1cccnc1 ZINC001230846771 1312370287 /nfs/dbraw/zinc/37/02/87/1312370287.db2.gz WSTHUIDDHJOKLF-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1cccnc1 ZINC001230861747 1312371778 /nfs/dbraw/zinc/37/17/78/1312371778.db2.gz PCAXVDSWOANMDX-SFHVURJKSA-N 1 3 346.519 2.674 20 0 EFADHO CCN(CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001230899084 1312385272 /nfs/dbraw/zinc/38/52/72/1312385272.db2.gz SAWMPKPUVIGZGW-MOPGFXCFSA-N 1 3 346.519 2.530 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@H+](CCC1CC1)Cc1cccnc1 ZINC001230905647 1312387875 /nfs/dbraw/zinc/38/78/75/1312387875.db2.gz KMZNIBWCXUPJQL-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@@H+](CCC1CC1)Cc1cccnc1 ZINC001230905647 1312387878 /nfs/dbraw/zinc/38/78/78/1312387878.db2.gz KMZNIBWCXUPJQL-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001049058374 1312412751 /nfs/dbraw/zinc/41/27/51/1312412751.db2.gz XMGMYTXJVSXCIZ-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001049058374 1312412754 /nfs/dbraw/zinc/41/27/54/1312412754.db2.gz XMGMYTXJVSXCIZ-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059573 1312414079 /nfs/dbraw/zinc/41/40/79/1312414079.db2.gz VLSOAAFBACODSU-RLLQIKCJSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059573 1312414080 /nfs/dbraw/zinc/41/40/80/1312414080.db2.gz VLSOAAFBACODSU-RLLQIKCJSA-N 1 3 345.531 2.609 20 0 EFADHO CC1(C)CC(C[N@H+]2C[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]3C2)C1 ZINC001049059185 1312414097 /nfs/dbraw/zinc/41/40/97/1312414097.db2.gz CDRSSYWLBNQGTJ-HDICACEKSA-N 1 3 347.547 2.545 20 0 EFADHO CC1(C)CC(C[N@@H+]2C[C@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@H]3C2)C1 ZINC001049059185 1312414100 /nfs/dbraw/zinc/41/41/00/1312414100.db2.gz CDRSSYWLBNQGTJ-HDICACEKSA-N 1 3 347.547 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1)N(C)C ZINC001049066914 1312419508 /nfs/dbraw/zinc/41/95/08/1312419508.db2.gz MJFKJHUHBHLAFX-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1)N(C)C ZINC001049066914 1312419511 /nfs/dbraw/zinc/41/95/11/1312419511.db2.gz MJFKJHUHBHLAFX-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@H]2C1)N(C)C ZINC001049067319 1312419525 /nfs/dbraw/zinc/41/95/25/1312419525.db2.gz VXPXTZVBZZOXPK-KSZLIROESA-N 1 3 349.544 2.595 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@H]2C1)N(C)C ZINC001049067319 1312419528 /nfs/dbraw/zinc/41/95/28/1312419528.db2.gz VXPXTZVBZZOXPK-KSZLIROESA-N 1 3 349.544 2.595 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@H]2CCN(C/C=C/c3ccccc3)C2)CC1 ZINC001015890219 1312426521 /nfs/dbraw/zinc/42/65/21/1312426521.db2.gz KETQSGYMNSSZNG-FKIZTMCRSA-N 1 3 341.499 2.622 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@H]2CCN(C/C=C\c3ccccc3)C2)CC1 ZINC001015890221 1312426581 /nfs/dbraw/zinc/42/65/81/1312426581.db2.gz KETQSGYMNSSZNG-VORVDVFJSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097431 1312453033 /nfs/dbraw/zinc/45/30/33/1312453033.db2.gz LRLXWFMQPGGWML-OTWHNJEPSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097431 1312453035 /nfs/dbraw/zinc/45/30/35/1312453035.db2.gz LRLXWFMQPGGWML-OTWHNJEPSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097875 1312454133 /nfs/dbraw/zinc/45/41/33/1312454133.db2.gz VVEXFBOQXWDWSC-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097875 1312454137 /nfs/dbraw/zinc/45/41/37/1312454137.db2.gz VVEXFBOQXWDWSC-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)C1(CNc2cccc3c2CC(C)(C)C(=O)N3)CC[NH+](C)CC1 ZINC001164215691 1312470425 /nfs/dbraw/zinc/47/04/25/1312470425.db2.gz JFDRSHJTYSBASO-UHFFFAOYSA-N 1 3 344.503 2.645 20 0 EFADHO Cc1c(NCC2(N(C)C)CC[NH+](C)CC2)cncc1-c1ccncc1 ZINC001164217555 1312470795 /nfs/dbraw/zinc/47/07/95/1312470795.db2.gz XENLNJVGNKLTID-UHFFFAOYSA-N 1 3 339.487 2.890 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903222102 1312475128 /nfs/dbraw/zinc/47/51/28/1312475128.db2.gz VRLJURVXPNNWPB-LQDVMPOASA-N 1 3 342.409 2.958 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903222102 1312475131 /nfs/dbraw/zinc/47/51/31/1312475131.db2.gz VRLJURVXPNNWPB-LQDVMPOASA-N 1 3 342.409 2.958 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CN(C/C=C\Cl)C[C@H]3C2)cc1 ZINC001049116376 1312476005 /nfs/dbraw/zinc/47/60/05/1312476005.db2.gz MSXWFANMYPLLOG-MGDGFJSESA-N 1 3 347.890 2.505 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(Cc3n[nH]c4cc(Br)ccc43)C[C@@H]2C1 ZINC001231615427 1312532207 /nfs/dbraw/zinc/53/22/07/1312532207.db2.gz XMZWWSKSYRGSLQ-NEPJUHHUSA-N 1 3 349.276 2.709 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(Cc3n[nH]c4cc(Br)ccc43)C[C@@H]2C1 ZINC001231615427 1312532210 /nfs/dbraw/zinc/53/22/10/1312532210.db2.gz XMZWWSKSYRGSLQ-NEPJUHHUSA-N 1 3 349.276 2.709 20 0 EFADHO c1c[nH]c(CN2CC3(C2)CCC[N@H+](Cc2cccc4cncn42)C3)c1 ZINC001277559658 1312555752 /nfs/dbraw/zinc/55/57/52/1312555752.db2.gz DPQYQRIKXGVNQV-UHFFFAOYSA-N 1 3 335.455 2.760 20 0 EFADHO c1c[nH]c(CN2CC3(C2)CCC[N@@H+](Cc2cccc4cncn42)C3)c1 ZINC001277559658 1312555756 /nfs/dbraw/zinc/55/57/56/1312555756.db2.gz DPQYQRIKXGVNQV-UHFFFAOYSA-N 1 3 335.455 2.760 20 0 EFADHO CC[C@H](CN1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000903343489 1312584057 /nfs/dbraw/zinc/58/40/57/1312584057.db2.gz QPUSATYXLNFNGX-NLWGTHIKSA-N 1 3 337.552 2.730 20 0 EFADHO COc1ccc(CC[N@@H+](Cc2cc3cnccc3[nH]2)C[C@@H](C)O)cc1 ZINC001232010839 1312604943 /nfs/dbraw/zinc/60/49/43/1312604943.db2.gz DQSNQPCPZLNKES-OAHLLOKOSA-N 1 3 339.439 2.997 20 0 EFADHO COc1ccc(CC[N@H+](Cc2cc3cnccc3[nH]2)C[C@@H](C)O)cc1 ZINC001232010839 1312604947 /nfs/dbraw/zinc/60/49/47/1312604947.db2.gz DQSNQPCPZLNKES-OAHLLOKOSA-N 1 3 339.439 2.997 20 0 EFADHO Cc1nc(N(C)C)cc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)n1 ZINC001165304205 1312606221 /nfs/dbraw/zinc/60/62/21/1312606221.db2.gz OFSLRUPFIUNBOD-GFCCVEGCSA-N 1 3 343.397 2.504 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231641 1312606534 /nfs/dbraw/zinc/60/65/34/1312606534.db2.gz HVPDTFSEJLSUHC-AMBYYYRHSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231641 1312606536 /nfs/dbraw/zinc/60/65/36/1312606536.db2.gz HVPDTFSEJLSUHC-AMBYYYRHSA-N 1 3 347.547 2.686 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049232955 1312607723 /nfs/dbraw/zinc/60/77/23/1312607723.db2.gz GEZABRANTGQBOO-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049232955 1312607725 /nfs/dbraw/zinc/60/77/25/1312607725.db2.gz GEZABRANTGQBOO-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232990 1312607985 /nfs/dbraw/zinc/60/79/85/1312607985.db2.gz HDXASXPJJFNWBK-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232990 1312607988 /nfs/dbraw/zinc/60/79/88/1312607988.db2.gz HDXASXPJJFNWBK-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)n1 ZINC001165321024 1312608696 /nfs/dbraw/zinc/60/86/96/1312608696.db2.gz VHNMRZTYTANUJC-QGZVFWFLSA-N 1 3 329.492 2.744 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235168 1312609574 /nfs/dbraw/zinc/60/95/74/1312609574.db2.gz LJTMHIKDOVXNBO-KDURUIRLSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235168 1312609576 /nfs/dbraw/zinc/60/95/76/1312609576.db2.gz LJTMHIKDOVXNBO-KDURUIRLSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165484436 1312636146 /nfs/dbraw/zinc/63/61/46/1312636146.db2.gz DPIFZRXMNUSIFG-WMZOPIPTSA-N 1 3 337.552 2.885 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CCc2cccs2)CC1)C1CC1 ZINC001165484978 1312636582 /nfs/dbraw/zinc/63/65/82/1312636582.db2.gz IYLFSEJQSOQNMO-KRWDZBQOSA-N 1 3 349.544 2.507 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC001165485475 1312636948 /nfs/dbraw/zinc/63/69/48/1312636948.db2.gz XAYOMIGUYGKILY-QFBILLFUSA-N 1 3 343.515 2.964 20 0 EFADHO CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485165 1312637044 /nfs/dbraw/zinc/63/70/44/1312637044.db2.gz NWZADELWHLEHAI-DKFQHHCZSA-N 1 3 335.536 2.949 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)C1CCC1 ZINC001165492115 1312637978 /nfs/dbraw/zinc/63/79/78/1312637978.db2.gz KLHSHTUAALEMDT-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)C1CCC1 ZINC001165492102 1312638077 /nfs/dbraw/zinc/63/80/77/1312638077.db2.gz JPZFBJVYZIPFEO-UHFFFAOYSA-N 1 3 329.488 2.547 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@@H]2CN(C3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001277625293 1312643078 /nfs/dbraw/zinc/64/30/78/1312643078.db2.gz SWGWWVOXGSPYSS-RLLQIKCJSA-N 1 3 337.552 2.682 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccnc(C(C)(C)C)c3)CC2)CC1 ZINC001232218520 1312651032 /nfs/dbraw/zinc/65/10/32/1312651032.db2.gz BYMJVORYKAIWPZ-UHFFFAOYSA-N 1 3 344.547 2.839 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001165610048 1312653107 /nfs/dbraw/zinc/65/31/07/1312653107.db2.gz QITXSHCIVLGIDC-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001211233250 1314460887 /nfs/dbraw/zinc/46/08/87/1314460887.db2.gz ABVHEQWIELAVHU-OOYWPUHTSA-N 1 3 335.879 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001211251073 1314464393 /nfs/dbraw/zinc/46/43/93/1314464393.db2.gz ZITQIWBGQFVXDG-VGZDNEPHSA-N 1 3 335.879 2.695 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001211279117 1314468194 /nfs/dbraw/zinc/46/81/94/1314468194.db2.gz VYHVOTRXJRVAAD-MJGOQNOKSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001211278657 1314468259 /nfs/dbraw/zinc/46/82/59/1314468259.db2.gz SVCJMXWTUZMKSN-CQSZACIVSA-N 1 3 337.430 2.640 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211284135 1314468768 /nfs/dbraw/zinc/46/87/68/1314468768.db2.gz JFQLYQYEDOWXDG-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001211282577 1314469036 /nfs/dbraw/zinc/46/90/36/1314469036.db2.gz BVSPEBFCZYSSFT-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001211285580 1314469570 /nfs/dbraw/zinc/46/95/70/1314469570.db2.gz PRCJCBJURSWXDG-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001211286845 1314469614 /nfs/dbraw/zinc/46/96/14/1314469614.db2.gz YBXKYTYROVILDE-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001211284501 1314469794 /nfs/dbraw/zinc/46/97/94/1314469794.db2.gz LKIOLLJFBSQMQZ-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001211292290 1314470308 /nfs/dbraw/zinc/47/03/08/1314470308.db2.gz LMHULMIVRBXNJR-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336610 1314478739 /nfs/dbraw/zinc/47/87/39/1314478739.db2.gz AXYNEVLNQJOVHE-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001211336610 1314478742 /nfs/dbraw/zinc/47/87/42/1314478742.db2.gz AXYNEVLNQJOVHE-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367177 1314485511 /nfs/dbraw/zinc/48/55/11/1314485511.db2.gz OZCDITANEIQMMI-QRVBRYPASA-N 1 3 335.536 2.900 20 0 EFADHO C[NH+](C)CCOc1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245423793 1314488188 /nfs/dbraw/zinc/48/81/88/1314488188.db2.gz BMNZQNWWXCQEAI-IBGZPJMESA-N 1 3 330.472 2.895 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376142 1314488251 /nfs/dbraw/zinc/48/82/51/1314488251.db2.gz HJKXZRVINRKBFX-RTUSNTFBSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376142 1314488254 /nfs/dbraw/zinc/48/82/54/1314488254.db2.gz HJKXZRVINRKBFX-RTUSNTFBSA-N 1 3 335.536 2.900 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C2)c1 ZINC001019810891 1314513162 /nfs/dbraw/zinc/51/31/62/1314513162.db2.gz PLEMBXBMJUJXQE-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052953870 1314513661 /nfs/dbraw/zinc/51/36/61/1314513661.db2.gz IXYRZXAZKRNFPJ-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052953870 1314513665 /nfs/dbraw/zinc/51/36/65/1314513665.db2.gz IXYRZXAZKRNFPJ-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001019820358 1314515300 /nfs/dbraw/zinc/51/53/00/1314515300.db2.gz HFTZHHCWIKHORI-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052955945 1314515896 /nfs/dbraw/zinc/51/58/96/1314515896.db2.gz MLDAFCWDEKYBEN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052955945 1314515901 /nfs/dbraw/zinc/51/59/01/1314515901.db2.gz MLDAFCWDEKYBEN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001019820457 1314516172 /nfs/dbraw/zinc/51/61/72/1314516172.db2.gz KYXAMPFXVGDFMJ-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001019820644 1314516275 /nfs/dbraw/zinc/51/62/75/1314516275.db2.gz RXEHOFPEPHDAMC-OALUTQOASA-N 1 3 347.478 2.721 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3CC)C2)cc1 ZINC001019822837 1314516368 /nfs/dbraw/zinc/51/63/68/1314516368.db2.gz HMQANXGXPPGSKV-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCC2CCC2)CC1 ZINC001052985457 1314542990 /nfs/dbraw/zinc/54/29/90/1314542990.db2.gz NULPKHCCRJHAIN-BGYRXZFFSA-N 1 3 333.520 2.726 20 0 EFADHO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052986382 1314543473 /nfs/dbraw/zinc/54/34/73/1314543473.db2.gz LRWCDFZFDZNRNT-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO O=C(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052986382 1314543477 /nfs/dbraw/zinc/54/34/77/1314543477.db2.gz LRWCDFZFDZNRNT-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)COc2cccc3ccccc32)C[NH2+]1 ZINC001245970240 1314557039 /nfs/dbraw/zinc/55/70/39/1314557039.db2.gz BJXUYXCFJYHNOH-SOLBZPMBSA-N 1 3 328.456 2.557 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245981459 1314558874 /nfs/dbraw/zinc/55/88/74/1314558874.db2.gz HAWSQNOHSYMYIS-NUJGCVRESA-N 1 3 334.504 2.559 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)CN[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982909 1314559144 /nfs/dbraw/zinc/55/91/44/1314559144.db2.gz KFYVIRASIGOPHM-JYBIWHBTSA-N 1 3 332.488 2.527 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245986793 1314559702 /nfs/dbraw/zinc/55/97/02/1314559702.db2.gz ZMZULRLRPBNVOG-SZVBFZGTSA-N 1 3 334.504 2.702 20 0 EFADHO O[C@@H](C[NH2+][C@H]1CCCCNC1)COCc1c(Cl)cccc1Cl ZINC001245985591 1314559738 /nfs/dbraw/zinc/55/97/38/1314559738.db2.gz UYSRHWNKJQWXQI-STQMWFEESA-N 1 3 347.286 2.603 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245989143 1314560655 /nfs/dbraw/zinc/56/06/55/1314560655.db2.gz YIXUZCDIRDGWAW-INDMIFKZSA-N 1 3 326.525 2.560 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCCOc1cccc(Cl)c1 ZINC001245988897 1314560849 /nfs/dbraw/zinc/56/08/49/1314560849.db2.gz QHIYMYFRTZGNRF-RBUKOAKNSA-N 1 3 348.874 2.629 20 0 EFADHO C[C@@H]1C[NH2+]C[C@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001245993103 1314561280 /nfs/dbraw/zinc/56/12/80/1314561280.db2.gz MXOZEKZBIZOQNE-JZXOWHBKSA-N 1 3 334.504 2.559 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCCc1cccc(Cl)c1 ZINC001245992033 1314561340 /nfs/dbraw/zinc/56/13/40/1314561340.db2.gz DXNGURSQSHGBIU-RBUKOAKNSA-N 1 3 332.875 2.793 20 0 EFADHO CC(C)c1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC001246000540 1314563226 /nfs/dbraw/zinc/56/32/26/1314563226.db2.gz QMFDCIJGPDRFOI-LEWJYISDSA-N 1 3 326.484 2.873 20 0 EFADHO O[C@]1(C[NH2+]CC2c3ccccc3CCc3ccccc32)CCCNC1 ZINC001245999637 1314563487 /nfs/dbraw/zinc/56/34/87/1314563487.db2.gz BKKQHLTYVKOIPL-JOCHJYFZSA-N 1 3 336.479 2.621 20 0 EFADHO O[C@]1(C[NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)CCCNC1 ZINC001246002941 1314563846 /nfs/dbraw/zinc/56/38/46/1314563846.db2.gz VRQVBBSVJGAHSR-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@]1(CNC2(Cc3cccc(C(F)(F)F)c3)CCC2)CCC[NH2+]C1 ZINC001246002941 1314563851 /nfs/dbraw/zinc/56/38/51/1314563851.db2.gz VRQVBBSVJGAHSR-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC[C@H](O)COCc1c(Cl)cccc1Cl ZINC001246008036 1314564744 /nfs/dbraw/zinc/56/47/44/1314564744.db2.gz AEMOHOSUCOXZGA-NHYWBVRUSA-N 1 3 349.302 2.834 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001246018393 1314566577 /nfs/dbraw/zinc/56/65/77/1314566577.db2.gz FIKVXEVOPASOMD-AZUAARDMSA-N 1 3 346.515 2.702 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246023753 1314567340 /nfs/dbraw/zinc/56/73/40/1314567340.db2.gz SRELZSIVPHYDEQ-PXNSSMCTSA-N 1 3 334.504 2.927 20 0 EFADHO CCC[C@@H](O)C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022789 1314567940 /nfs/dbraw/zinc/56/79/40/1314567940.db2.gz BKZBWUWTHNETHV-VQTJNVASSA-N 1 3 346.515 2.951 20 0 EFADHO CCC[C@@H](O)C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022789 1314567943 /nfs/dbraw/zinc/56/79/43/1314567943.db2.gz BKZBWUWTHNETHV-VQTJNVASSA-N 1 3 346.515 2.951 20 0 EFADHO C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246022159 1314568184 /nfs/dbraw/zinc/56/81/84/1314568184.db2.gz PSCGARZPGXNJIJ-CAYVGHNUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246022159 1314568189 /nfs/dbraw/zinc/56/81/89/1314568189.db2.gz PSCGARZPGXNJIJ-CAYVGHNUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@@]1([NH3+])CCCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001246025418 1314568576 /nfs/dbraw/zinc/56/85/76/1314568576.db2.gz YEJHDZTXALFSNO-YLJYHZDGSA-N 1 3 328.456 2.783 20 0 EFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H](O)COc1cccc2ccccc21 ZINC001246026541 1314569098 /nfs/dbraw/zinc/56/90/98/1314569098.db2.gz VVIYGRZKFVNNEL-NJAFHUGGSA-N 1 3 328.456 2.639 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246033739 1314571195 /nfs/dbraw/zinc/57/11/95/1314571195.db2.gz OTELZJYJBUUGDG-ROUUACIJSA-N 1 3 326.525 2.798 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246033739 1314571197 /nfs/dbraw/zinc/57/11/97/1314571197.db2.gz OTELZJYJBUUGDG-ROUUACIJSA-N 1 3 326.525 2.798 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246042444 1314572014 /nfs/dbraw/zinc/57/20/14/1314572014.db2.gz GOJYFXYIMLFXLV-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246042444 1314572018 /nfs/dbraw/zinc/57/20/18/1314572018.db2.gz GOJYFXYIMLFXLV-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO O[C@@]1(C[NH+]2CCC(c3cccc(C(F)(F)F)c3)CC2)CCCNC1 ZINC001246046194 1314573026 /nfs/dbraw/zinc/57/30/26/1314573026.db2.gz YEMBVBBFQDARKK-KRWDZBQOSA-N 1 3 342.405 2.999 20 0 EFADHO O[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051679 1314573894 /nfs/dbraw/zinc/57/38/94/1314573894.db2.gz HBADGYRVVALRNI-HZPDHXFCSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@]1(C[N@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051679 1314573899 /nfs/dbraw/zinc/57/38/99/1314573899.db2.gz HBADGYRVVALRNI-HZPDHXFCSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@]1(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056511 1314576302 /nfs/dbraw/zinc/57/63/02/1314576302.db2.gz PGSYMVSVKNOPBQ-GDBMZVCRSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056511 1314576307 /nfs/dbraw/zinc/57/63/07/1314576307.db2.gz PGSYMVSVKNOPBQ-GDBMZVCRSA-N 1 3 328.378 2.609 20 0 EFADHO CCCN(C[C@H](O)COc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001246069390 1314579599 /nfs/dbraw/zinc/57/95/99/1314579599.db2.gz XLSYOVGGEKJBRH-MJGOQNOKSA-N 1 3 342.483 2.901 20 0 EFADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090310 1314582176 /nfs/dbraw/zinc/58/21/76/1314582176.db2.gz FSWZZIQGWRTVHK-OBKDMQGPSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090310 1314582179 /nfs/dbraw/zinc/58/21/79/1314582179.db2.gz FSWZZIQGWRTVHK-OBKDMQGPSA-N 1 3 331.479 2.862 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246153581 1314590380 /nfs/dbraw/zinc/59/03/80/1314590380.db2.gz YQMWLRNLDPYQRV-KBNOKHGBSA-N 1 3 329.271 2.748 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246153581 1314590385 /nfs/dbraw/zinc/59/03/85/1314590385.db2.gz YQMWLRNLDPYQRV-KBNOKHGBSA-N 1 3 329.271 2.748 20 0 EFADHO CCCC[C@@H]1C[C@H](NCc2ccccc2N2CCN(C)CC2)CC[NH2+]1 ZINC001246181388 1314593978 /nfs/dbraw/zinc/59/39/78/1314593978.db2.gz NSLFKKBUENJUCU-WOJBJXKFSA-N 1 3 344.547 2.839 20 0 EFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246231163 1314600343 /nfs/dbraw/zinc/60/03/43/1314600343.db2.gz OOYJQQSKLQDTPI-MEDUHNTESA-N 1 3 332.822 2.643 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029787 1314603089 /nfs/dbraw/zinc/60/30/89/1314603089.db2.gz WAGYMADIJRQWDJ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029787 1314603094 /nfs/dbraw/zinc/60/30/94/1314603094.db2.gz WAGYMADIJRQWDJ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029764 1314603211 /nfs/dbraw/zinc/60/32/11/1314603211.db2.gz VTROZXRIKVNQJZ-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029764 1314603214 /nfs/dbraw/zinc/60/32/14/1314603214.db2.gz VTROZXRIKVNQJZ-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001053029921 1314603792 /nfs/dbraw/zinc/60/37/92/1314603792.db2.gz YHNXWJUUFLKWCC-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001053029921 1314603797 /nfs/dbraw/zinc/60/37/97/1314603797.db2.gz YHNXWJUUFLKWCC-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO FC1(F)CCCN(CC[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246344168 1314613586 /nfs/dbraw/zinc/61/35/86/1314613586.db2.gz XYMVHBVMMALZNT-QZTJIDSGSA-N 1 3 337.458 2.670 20 0 EFADHO Fc1cc(Cl)ccc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246352248 1314614375 /nfs/dbraw/zinc/61/43/75/1314614375.db2.gz BJSPJPFOJOSRCI-INIZCTEOSA-N 1 3 325.859 2.785 20 0 EFADHO COC(=O)C1C[C@@H]2CC(N[C@H]3CCCNc4ccccc43)C[C@H](C1)[NH2+]2 ZINC001246356460 1314614742 /nfs/dbraw/zinc/61/47/42/1314614742.db2.gz HXQMOLWDJYPWSF-AXGRQPESSA-N 1 3 343.471 2.595 20 0 EFADHO COC(=O)C1C[C@@H]2CC(N[C@@H]3CCCNc4ccccc43)C[C@H](C1)[NH2+]2 ZINC001246356463 1314615179 /nfs/dbraw/zinc/61/51/79/1314615179.db2.gz HXQMOLWDJYPWSF-VFDYCRHWSA-N 1 3 343.471 2.595 20 0 EFADHO Fc1c(Cl)cccc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246356942 1314615339 /nfs/dbraw/zinc/61/53/39/1314615339.db2.gz XLMVDNRHOIFNMP-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@@H](C)NC3)CC2)c1 ZINC001246359801 1314615389 /nfs/dbraw/zinc/61/53/89/1314615389.db2.gz PGPRRPPDROFXJG-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC(N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246359801 1314615391 /nfs/dbraw/zinc/61/53/91/1314615391.db2.gz PGPRRPPDROFXJG-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO C[NH2+]CC[C@H](C)N[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC001246359744 1314615507 /nfs/dbraw/zinc/61/55/07/1314615507.db2.gz BVYFBIMGDMYHMG-BBRMVZONSA-N 1 3 340.309 2.611 20 0 EFADHO Fc1ccc(Cl)cc1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC001246361999 1314615817 /nfs/dbraw/zinc/61/58/17/1314615817.db2.gz ZMXIPYFMNIWTJQ-MRXNPFEDSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@H]3CCN[C@H](C)C3)CC2)cc1F ZINC001246360685 1314615840 /nfs/dbraw/zinc/61/58/40/1314615840.db2.gz HRRYZPVITQEFCR-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C)NC3)CC2)cc1F ZINC001246364165 1314616043 /nfs/dbraw/zinc/61/60/43/1314616043.db2.gz TZXSVQXNDRLQMZ-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC(N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1F ZINC001246364165 1314616045 /nfs/dbraw/zinc/61/60/45/1314616045.db2.gz TZXSVQXNDRLQMZ-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4cc(F)ccc4C3=O)CC2)CCN1 ZINC001246394032 1314623008 /nfs/dbraw/zinc/62/30/08/1314623008.db2.gz LJTDHLUMKFIFFS-MGHWNKPDSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246401598 1314624185 /nfs/dbraw/zinc/62/41/85/1314624185.db2.gz HLHFCPSITDNOPF-PILAGYSTSA-N 1 3 333.451 2.597 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@H]2CCCCNC2)C1 ZINC001246406860 1314625114 /nfs/dbraw/zinc/62/51/14/1314625114.db2.gz PYTARKWKUOMMCS-IRXDYDNUSA-N 1 3 341.503 2.757 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H](N[C@H](C)CC[NH2+]C)C1 ZINC001246408465 1314625131 /nfs/dbraw/zinc/62/51/31/1314625131.db2.gz UNJXOKQJFQDPAT-HZPDHXFCSA-N 1 3 329.492 2.613 20 0 EFADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246405692 1314625151 /nfs/dbraw/zinc/62/51/51/1314625151.db2.gz NGFVOMRPTXFISP-WBVHZDCISA-N 1 3 341.503 2.755 20 0 EFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246413144 1314625999 /nfs/dbraw/zinc/62/59/99/1314625999.db2.gz GNTSYLGTPBGSOP-BONVTDFDSA-N 1 3 347.837 2.512 20 0 EFADHO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CCNCC2)C1 ZINC001246428212 1314627906 /nfs/dbraw/zinc/62/79/06/1314627906.db2.gz FUENBICUBKUUKI-AEFFLSMTSA-N 1 3 330.472 2.977 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001020144104 1314630613 /nfs/dbraw/zinc/63/06/13/1314630613.db2.gz QFRWQCIWWPEJKB-FPCVCCKLSA-N 1 3 343.462 2.531 20 0 EFADHO Clc1cccc(-c2nc(CN[C@@H]3CCNC4(C[NH2+]C4)C3)cs2)c1 ZINC001246451291 1314630914 /nfs/dbraw/zinc/63/09/14/1314630914.db2.gz ZXDLQMHFFGZIGV-CQSZACIVSA-N 1 3 348.903 2.647 20 0 EFADHO COc1cccc(OC)c1CN1CCC([NH2+][C@H]2CCCC[C@H]2N)CC1 ZINC001246479292 1314633726 /nfs/dbraw/zinc/63/37/26/1314633726.db2.gz SXGLXDZJWIIHHD-MSOLQXFVSA-N 1 3 347.503 2.528 20 0 EFADHO COc1cccc(OC)c1CN1CCC(N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246479292 1314633730 /nfs/dbraw/zinc/63/37/30/1314633730.db2.gz SXGLXDZJWIIHHD-MSOLQXFVSA-N 1 3 347.503 2.528 20 0 EFADHO Clc1ccc(-c2nc(CN[C@@H]3CCNC4(C[NH2+]C4)C3)cs2)cc1 ZINC001246478468 1314634409 /nfs/dbraw/zinc/63/44/09/1314634409.db2.gz OAYZZVZWPPGXAY-CQSZACIVSA-N 1 3 348.903 2.647 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)CC2)NC1 ZINC001246497787 1314638171 /nfs/dbraw/zinc/63/81/71/1314638171.db2.gz XWAAQXMTOUMDIY-KRWDZBQOSA-N 1 3 345.437 2.864 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)NC1 ZINC001246494923 1314638181 /nfs/dbraw/zinc/63/81/81/1314638181.db2.gz MSSJXQUEZUOSKP-IBGZPJMESA-N 1 3 327.447 2.725 20 0 EFADHO C[C@@]1(N)CC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246529486 1314642832 /nfs/dbraw/zinc/64/28/32/1314642832.db2.gz KNKVZXVFCRDEQB-MRXNPFEDSA-N 1 3 338.293 2.841 20 0 EFADHO C[C@@]1(N)CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246529486 1314642838 /nfs/dbraw/zinc/64/28/38/1314642838.db2.gz KNKVZXVFCRDEQB-MRXNPFEDSA-N 1 3 338.293 2.841 20 0 EFADHO COc1ccc(C(=O)N2CCC(N3CCC[C@](C)([NH3+])CC3)CC2)cc1 ZINC001246547340 1314645496 /nfs/dbraw/zinc/64/54/96/1314645496.db2.gz CPEFHIGHZANASA-FQEVSTJZSA-N 1 3 345.487 2.503 20 0 EFADHO COc1cc(C[C@@H](C)N2CCC[C@](C)([NH3+])CC2)cc(OC)c1OC ZINC001246552393 1314646349 /nfs/dbraw/zinc/64/63/49/1314646349.db2.gz OEPYOCAYBVLCGN-KUHUBIRLSA-N 1 3 336.476 2.847 20 0 EFADHO COc1cccc(C(=O)N2CCC(N3CCC[C@@](C)([NH3+])CC3)CC2)c1 ZINC001246551673 1314646502 /nfs/dbraw/zinc/64/65/02/1314646502.db2.gz MFJWATUVNOLUEO-HXUWFJFHSA-N 1 3 345.487 2.503 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)N1CCCC[C@@](O)(C[NH3+])C1 ZINC001246554938 1314646604 /nfs/dbraw/zinc/64/66/04/1314646604.db2.gz ADOKTEQXWQWGTF-XJKSGUPXSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554938 1314646607 /nfs/dbraw/zinc/64/66/07/1314646607.db2.gz ADOKTEQXWQWGTF-XJKSGUPXSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246554938 1314646610 /nfs/dbraw/zinc/64/66/10/1314646610.db2.gz ADOKTEQXWQWGTF-XJKSGUPXSA-N 1 3 328.909 2.996 20 0 EFADHO [NH3+]C[C@@]1(F)CCCCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246585089 1314652469 /nfs/dbraw/zinc/65/24/69/1314652469.db2.gz YQGVKPXVRZINMF-ICSRJNTNSA-N 1 3 347.478 2.721 20 0 EFADHO COC(=O)c1ccc(C[C@@H](C)N2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246607436 1314656052 /nfs/dbraw/zinc/65/60/52/1314656052.db2.gz DSXDNNUPXRKJEI-OXQOHEQNSA-N 1 3 330.472 2.870 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605158 1314656566 /nfs/dbraw/zinc/65/65/66/1314656566.db2.gz AIWCYPLBHYTBJG-PZJWPPBQSA-N 1 3 341.499 2.899 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCC[C@@]23CCCNC3)CC1 ZINC001246605158 1314656571 /nfs/dbraw/zinc/65/65/71/1314656571.db2.gz AIWCYPLBHYTBJG-PZJWPPBQSA-N 1 3 341.499 2.899 20 0 EFADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246633767 1314661476 /nfs/dbraw/zinc/66/14/76/1314661476.db2.gz MISNZSJTMYWYSH-OGHNNQOOSA-N 1 3 326.843 2.720 20 0 EFADHO CC(C)C[C@@H](Cc1ccccc1)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246653077 1314664511 /nfs/dbraw/zinc/66/45/11/1314664511.db2.gz QSIJCZYPNGRPBT-PZJWPPBQSA-N 1 3 343.515 2.588 20 0 EFADHO COc1cccc2c1C[C@H](N1CCC([C@@H]3CCCC[NH2+]3)CC1)CO2 ZINC001246665850 1314666671 /nfs/dbraw/zinc/66/66/71/1314666671.db2.gz RCIMBQUGDJGGQG-WMZOPIPTSA-N 1 3 330.472 2.853 20 0 EFADHO Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001246682747 1314670015 /nfs/dbraw/zinc/67/00/15/1314670015.db2.gz DFYLMDCAVNGSPU-SFNKJDCFSA-N 1 3 332.513 2.928 20 0 EFADHO Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)cc1 ZINC001246682747 1314670018 /nfs/dbraw/zinc/67/00/18/1314670018.db2.gz DFYLMDCAVNGSPU-SFNKJDCFSA-N 1 3 332.513 2.928 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1 ZINC001246692896 1314671659 /nfs/dbraw/zinc/67/16/59/1314671659.db2.gz PGEYVUAJKPZTBU-CVAIRZPRSA-N 1 3 348.462 2.818 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CNCC[C@H]3F)cc1 ZINC001246692896 1314671664 /nfs/dbraw/zinc/67/16/64/1314671664.db2.gz PGEYVUAJKPZTBU-CVAIRZPRSA-N 1 3 348.462 2.818 20 0 EFADHO C[C@@H]1C[C@H](N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC[NH2+]1 ZINC001246695122 1314672901 /nfs/dbraw/zinc/67/29/01/1314672901.db2.gz LWRNMWGWQJHJGY-VTQNTBAGSA-N 1 3 333.501 2.923 20 0 EFADHO O=C1N(CC2CCCC2)CCC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246702453 1314673517 /nfs/dbraw/zinc/67/35/17/1314673517.db2.gz PBSSBBDLFBATFT-DFNIBXOVSA-N 1 3 345.531 2.774 20 0 EFADHO CC[C@H]1[N@@H+]([C@@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720550 1314675241 /nfs/dbraw/zinc/67/52/41/1314675241.db2.gz IOVXLPGYJJONKC-MMTROXRISA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H]1[N@H+]([C@@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720550 1314675245 /nfs/dbraw/zinc/67/52/45/1314675245.db2.gz IOVXLPGYJJONKC-MMTROXRISA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@@H+]([C@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720322 1314675570 /nfs/dbraw/zinc/67/55/70/1314675570.db2.gz IOVXLPGYJJONKC-CAIZAGQASA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@H+]([C@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720322 1314675574 /nfs/dbraw/zinc/67/55/74/1314675574.db2.gz IOVXLPGYJJONKC-CAIZAGQASA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733841 1314676456 /nfs/dbraw/zinc/67/64/56/1314676456.db2.gz HCAIRPZBSZRAFT-NBYUQASBSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733841 1314676461 /nfs/dbraw/zinc/67/64/61/1314676461.db2.gz HCAIRPZBSZRAFT-NBYUQASBSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725111 1314677046 /nfs/dbraw/zinc/67/70/46/1314677046.db2.gz XQNULKPJEYXCFH-AYBZRNKSSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725111 1314677047 /nfs/dbraw/zinc/67/70/47/1314677047.db2.gz XQNULKPJEYXCFH-AYBZRNKSSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725111 1314677048 /nfs/dbraw/zinc/67/70/48/1314677048.db2.gz XQNULKPJEYXCFH-AYBZRNKSSA-N 1 3 347.528 2.817 20 0 EFADHO C[NH2+]CC[C@H](C)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001246760323 1314677763 /nfs/dbraw/zinc/67/77/63/1314677763.db2.gz PXGHTFZFRYVEMY-DUXAOARHSA-N 1 3 333.451 2.720 20 0 EFADHO C[C@H]1CC(N2CCCn3cnc(CNC4CCCC4)c3C2)C[C@H](C)[NH2+]1 ZINC001246766417 1314679193 /nfs/dbraw/zinc/67/91/93/1314679193.db2.gz AQSBRSQTZLCTTQ-HOTGVXAUSA-N 1 3 345.535 2.650 20 0 EFADHO CC[C@H]1C[C@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246772777 1314679277 /nfs/dbraw/zinc/67/92/77/1314679277.db2.gz QEYNTJWVZBBIPT-FUHWJXTLSA-N 1 3 345.535 2.652 20 0 EFADHO C[C@@H]1CC[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246805934 1314686055 /nfs/dbraw/zinc/68/60/55/1314686055.db2.gz LPWXZMLTKNALPI-DAXOMENPSA-N 1 3 338.293 2.536 20 0 EFADHO COCCC[N@H+](C1CCNCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246835333 1314692827 /nfs/dbraw/zinc/69/28/27/1314692827.db2.gz JERDMHORBDATJH-QGZVFWFLSA-N 1 3 338.442 2.913 20 0 EFADHO COCCC[N@@H+](C1CCNCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246835333 1314692832 /nfs/dbraw/zinc/69/28/32/1314692832.db2.gz JERDMHORBDATJH-QGZVFWFLSA-N 1 3 338.442 2.913 20 0 EFADHO N[C@]12CC[C@@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851753 1314696523 /nfs/dbraw/zinc/69/65/23/1314696523.db2.gz HGCANVDMPKGWSP-ADAARDCZSA-N 1 3 325.500 2.995 20 0 EFADHO N[C@]12CC[C@@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851753 1314696528 /nfs/dbraw/zinc/69/65/28/1314696528.db2.gz HGCANVDMPKGWSP-ADAARDCZSA-N 1 3 325.500 2.995 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860928 1314698694 /nfs/dbraw/zinc/69/86/94/1314698694.db2.gz OVMMRZYJFYNVSE-CLJRNHLWSA-N 1 3 328.378 2.542 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246873518 1314700455 /nfs/dbraw/zinc/70/04/55/1314700455.db2.gz SLLOVNAQBQPGRF-BLLLJJGKSA-N 1 3 325.859 2.517 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246890245 1314703830 /nfs/dbraw/zinc/70/38/30/1314703830.db2.gz HVYGKTFHCNGLTP-RCCFBDPRSA-N 1 3 342.524 2.833 20 0 EFADHO CC(C)(C)c1ccc(N2CCN([C@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246892208 1314703863 /nfs/dbraw/zinc/70/38/63/1314703863.db2.gz QJHHXHPUHGKKHK-GOSISDBHSA-N 1 3 345.556 2.954 20 0 EFADHO Cc1cc(F)ccc1N1CCN(C2CCC3(CC2)C[NH2+]CCO3)CC1 ZINC001246892119 1314704062 /nfs/dbraw/zinc/70/40/62/1314704062.db2.gz GYNZBZJCIGIUHF-UHFFFAOYSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)C1C[C@@H](C)N[C@H](C)C1 ZINC001246893168 1314705209 /nfs/dbraw/zinc/70/52/09/1314705209.db2.gz UVGKQIJFXAKESX-OAGGEKHMSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)C1C[C@@H](C)N[C@H](C)C1 ZINC001246893168 1314705214 /nfs/dbraw/zinc/70/52/14/1314705214.db2.gz UVGKQIJFXAKESX-OAGGEKHMSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246893168 1314705215 /nfs/dbraw/zinc/70/52/15/1314705215.db2.gz UVGKQIJFXAKESX-OAGGEKHMSA-N 1 3 328.497 2.586 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916374 1314707959 /nfs/dbraw/zinc/70/79/59/1314707959.db2.gz RPWPCEZMEOMXOV-DLBZAZTESA-N 1 3 341.421 2.924 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916374 1314707962 /nfs/dbraw/zinc/70/79/62/1314707962.db2.gz RPWPCEZMEOMXOV-DLBZAZTESA-N 1 3 341.421 2.924 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915898 1314708124 /nfs/dbraw/zinc/70/81/24/1314708124.db2.gz QDRFLSUNUYYCPF-PKOBYXMFSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915898 1314708126 /nfs/dbraw/zinc/70/81/26/1314708126.db2.gz QDRFLSUNUYYCPF-PKOBYXMFSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H](N(Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915898 1314708129 /nfs/dbraw/zinc/70/81/29/1314708129.db2.gz QDRFLSUNUYYCPF-PKOBYXMFSA-N 1 3 330.472 2.972 20 0 EFADHO CCOCC[N@H+]([C@@H](CC)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001246951642 1314713923 /nfs/dbraw/zinc/71/39/23/1314713923.db2.gz VTUVVOVLYMFPAS-KRWDZBQOSA-N 1 3 348.487 2.827 20 0 EFADHO CCOCC[N@@H+]([C@@H](CC)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001246951642 1314713924 /nfs/dbraw/zinc/71/39/24/1314713924.db2.gz VTUVVOVLYMFPAS-KRWDZBQOSA-N 1 3 348.487 2.827 20 0 EFADHO CCOCCN([C@@H](CC)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001246951642 1314713928 /nfs/dbraw/zinc/71/39/28/1314713928.db2.gz VTUVVOVLYMFPAS-KRWDZBQOSA-N 1 3 348.487 2.827 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214610904 1314715316 /nfs/dbraw/zinc/71/53/16/1314715316.db2.gz HHJOKMXSLZDANN-MGPQQGTHSA-N 1 3 348.318 2.615 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214610904 1314715321 /nfs/dbraw/zinc/71/53/21/1314715321.db2.gz HHJOKMXSLZDANN-MGPQQGTHSA-N 1 3 348.318 2.615 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246989692 1314725786 /nfs/dbraw/zinc/72/57/86/1314725786.db2.gz LKKIACPGYWWPMU-IAGOWNOFSA-N 1 3 341.421 2.877 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246989692 1314725789 /nfs/dbraw/zinc/72/57/89/1314725789.db2.gz LKKIACPGYWWPMU-IAGOWNOFSA-N 1 3 341.421 2.877 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246989694 1314725841 /nfs/dbraw/zinc/72/58/41/1314725841.db2.gz LKKIACPGYWWPMU-IRXDYDNUSA-N 1 3 341.421 2.877 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246989694 1314725845 /nfs/dbraw/zinc/72/58/45/1314725845.db2.gz LKKIACPGYWWPMU-IRXDYDNUSA-N 1 3 341.421 2.877 20 0 EFADHO COC(=O)c1ccc(CC2CC[NH+]([C@@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246996616 1314727439 /nfs/dbraw/zinc/72/74/39/1314727439.db2.gz HICPIWPCNDVJQE-DNVCBOLYSA-N 1 3 330.472 2.868 20 0 EFADHO COC(=O)c1ccc(CC2CCN([C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246996616 1314727441 /nfs/dbraw/zinc/72/74/41/1314727441.db2.gz HICPIWPCNDVJQE-DNVCBOLYSA-N 1 3 330.472 2.868 20 0 EFADHO COCCC[NH+]1CCC(N2CCC3(Cc4ccccc4N3)CC2)CC1 ZINC001247002065 1314728302 /nfs/dbraw/zinc/72/83/02/1314728302.db2.gz MRHUVLMAQFHKJX-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013243 1314730611 /nfs/dbraw/zinc/73/06/11/1314730611.db2.gz GISKDBFUHZKGBS-UFYCRDLUSA-N 1 3 341.499 2.755 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214779941 1314736673 /nfs/dbraw/zinc/73/66/73/1314736673.db2.gz DSTKDYZQNCPBMC-MCIONIFRSA-N 1 3 348.318 2.616 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214779941 1314736677 /nfs/dbraw/zinc/73/66/77/1314736677.db2.gz DSTKDYZQNCPBMC-MCIONIFRSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001214861520 1314749816 /nfs/dbraw/zinc/74/98/16/1314749816.db2.gz VTZDQIKKQRMYLG-UKRRQHHQSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499747 1314766365 /nfs/dbraw/zinc/76/63/65/1314766365.db2.gz FNTFQJKZSGUTFB-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499747 1314766368 /nfs/dbraw/zinc/76/63/68/1314766368.db2.gz FNTFQJKZSGUTFB-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001214997216 1314767378 /nfs/dbraw/zinc/76/73/78/1314767378.db2.gz FYAMEVIMVJOPSU-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)CN(C)C ZINC000400973529 1314790641 /nfs/dbraw/zinc/79/06/41/1314790641.db2.gz QMSYMYRFKWEPMF-YYIAUSFCSA-N 1 3 339.524 2.809 20 0 EFADHO CC(C)C[C@H](N)c1nc(-c2cccc(CN3CCN(C)CC3)c2)no1 ZINC001247624750 1314810118 /nfs/dbraw/zinc/81/01/18/1314810118.db2.gz KYXVCGORYLHLAF-KRWDZBQOSA-N 1 3 343.475 2.530 20 0 EFADHO CC(C)C[C@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247624750 1314810121 /nfs/dbraw/zinc/81/01/21/1314810121.db2.gz KYXVCGORYLHLAF-KRWDZBQOSA-N 1 3 343.475 2.530 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248025 1314817909 /nfs/dbraw/zinc/81/79/09/1314817909.db2.gz LKJLMRLTZWZICC-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248025 1314817913 /nfs/dbraw/zinc/81/79/13/1314817913.db2.gz LKJLMRLTZWZICC-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccccc1Cl ZINC001215415685 1314832278 /nfs/dbraw/zinc/83/22/78/1314832278.db2.gz HCYASQYXDRIZNM-RHSMWYFYSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001215422115 1314833207 /nfs/dbraw/zinc/83/32/07/1314833207.db2.gz XVXLQPJAYDRPHY-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215536006 1314846454 /nfs/dbraw/zinc/84/64/54/1314846454.db2.gz CTTXYIHNKVYHPP-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001215536434 1314846861 /nfs/dbraw/zinc/84/68/61/1314846861.db2.gz RIUFRPHZXIHXDN-WHMAPBGISA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001215539856 1314847585 /nfs/dbraw/zinc/84/75/85/1314847585.db2.gz APTVIYFRRAAOBC-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO c1ccc(Oc2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830174 1314849124 /nfs/dbraw/zinc/84/91/24/1314849124.db2.gz LZAOPVQJTPDOKA-QGZVFWFLSA-N 1 3 348.406 2.805 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@@]4(CO3)CCC[NH2+]C4)n2)cc1 ZINC001247922696 1314868448 /nfs/dbraw/zinc/86/84/48/1314868448.db2.gz UCVVIRBPUPHURZ-LPHOPBHVSA-N 1 3 342.443 2.629 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038339412 1314872851 /nfs/dbraw/zinc/87/28/51/1314872851.db2.gz HBOWDBFJGWNGTB-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038339412 1314872855 /nfs/dbraw/zinc/87/28/55/1314872855.db2.gz HBOWDBFJGWNGTB-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001215993671 1314898315 /nfs/dbraw/zinc/89/83/15/1314898315.db2.gz BDEJFGUTELMWKX-ZIFCJYIRSA-N 1 3 331.504 2.834 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)c1ccccc1 ZINC001215989980 1314898480 /nfs/dbraw/zinc/89/84/80/1314898480.db2.gz PVMCMYQHEGGFHH-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001216001497 1314899236 /nfs/dbraw/zinc/89/92/36/1314899236.db2.gz FIGYXTRFTIFZIO-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001216002540 1314899444 /nfs/dbraw/zinc/89/94/44/1314899444.db2.gz UPLKEOYKLNIPHT-ZIFCJYIRSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cnccn3)C[C@H]2CC1 ZINC001276734771 1314909604 /nfs/dbraw/zinc/90/96/04/1314909604.db2.gz XXYFYJOAXVDZFJ-IYBDPMFKSA-N 1 3 343.500 2.586 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cnccn3)C[C@H]2CC1 ZINC001276734771 1314909608 /nfs/dbraw/zinc/90/96/08/1314909608.db2.gz XXYFYJOAXVDZFJ-IYBDPMFKSA-N 1 3 343.500 2.586 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001216217497 1314928338 /nfs/dbraw/zinc/92/83/38/1314928338.db2.gz VPEHAQISMKKAET-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2cc3ccccc3o2)C1 ZINC001216217497 1314928341 /nfs/dbraw/zinc/92/83/41/1314928341.db2.gz VPEHAQISMKKAET-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccn3cncc3c2)c1 ZINC001038461251 1314946575 /nfs/dbraw/zinc/94/65/75/1314946575.db2.gz DBNCUPTZDPEZAJ-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H]2CNC(=O)c2ccn3cncc3c2)c1 ZINC001038461251 1314946578 /nfs/dbraw/zinc/94/65/78/1314946578.db2.gz DBNCUPTZDPEZAJ-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001216502641 1314963025 /nfs/dbraw/zinc/96/30/25/1314963025.db2.gz GLLUKOBQBCBVHJ-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001216511416 1314964465 /nfs/dbraw/zinc/96/44/65/1314964465.db2.gz RNCSOUGAHQCWOI-UXRNRCMTSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001216516039 1314965104 /nfs/dbraw/zinc/96/51/04/1314965104.db2.gz XYKJKGAIDNYWOV-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001276745218 1314986571 /nfs/dbraw/zinc/98/65/71/1314986571.db2.gz SVQDOJLMBTZVIA-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)nc1 ZINC001276745218 1314986575 /nfs/dbraw/zinc/98/65/75/1314986575.db2.gz SVQDOJLMBTZVIA-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO C[C@@H]1CN(C[C@H]([NH3+])CC(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404291149 1314996353 /nfs/dbraw/zinc/99/63/53/1314996353.db2.gz LCUVYBWHGFHPGP-PNBKFKSVSA-N 1 3 325.447 2.952 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842649 1315014513 /nfs/dbraw/zinc/01/45/13/1315014513.db2.gz JKWSOVDWCANDOU-QGPMSJSTSA-N 1 3 335.467 2.546 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216851586 1315015685 /nfs/dbraw/zinc/01/56/85/1315015685.db2.gz AZHPKRSAXQUFHS-YLJYHZDGSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001216853877 1315015817 /nfs/dbraw/zinc/01/58/17/1315015817.db2.gz NQQJNHKWYYEWBM-TZMCWYRMSA-N 1 3 343.924 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001216851755 1315015862 /nfs/dbraw/zinc/01/58/62/1315015862.db2.gz HOFNNLJPPDWEAF-BZUAXINKSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001216852346 1315015907 /nfs/dbraw/zinc/01/59/07/1315015907.db2.gz VHCDJHSWQGJSQK-BHIYHBOVSA-N 1 3 331.504 2.914 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216851745 1315015980 /nfs/dbraw/zinc/01/59/80/1315015980.db2.gz HAZPPBOUFPNGEE-JTDSTZFVSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001216851821 1315016194 /nfs/dbraw/zinc/01/61/94/1315016194.db2.gz JFIHMGNTWZDSMV-GDBMZVCRSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001216851597 1315016223 /nfs/dbraw/zinc/01/62/23/1315016223.db2.gz BNGGVFGLHHSANU-MRDYICJFSA-N 1 3 343.515 2.867 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000404880863 1315017397 /nfs/dbraw/zinc/01/73/97/1315017397.db2.gz BHKAIHLQFBPRBN-ILXRZTDVSA-N 1 3 325.497 2.610 20 0 EFADHO c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc([C@H]2CCC[NH2+]2)c1 ZINC001217071526 1315033851 /nfs/dbraw/zinc/03/38/51/1315033851.db2.gz VCJLQCIFCQLNGO-MRXNPFEDSA-N 1 3 347.422 2.869 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cncc(Cl)c1)C2 ZINC001276754957 1315065184 /nfs/dbraw/zinc/06/51/84/1315065184.db2.gz VOSRTGLZWMPUDD-GOSISDBHSA-N 1 3 336.911 2.585 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2[C@H]2CCCc3ccccc32)CC1 ZINC001038660436 1315070663 /nfs/dbraw/zinc/07/06/63/1315070663.db2.gz BLGGAAXDZUBKDL-ICSRJNTNSA-N 1 3 341.499 2.596 20 0 EFADHO c1cc(NC2=CC[C@H](N3CCOCC3)CC2)cc(N2CCCC2)[nH+]1 ZINC001249557318 1315096606 /nfs/dbraw/zinc/09/66/06/1315096606.db2.gz KOLWDBDILQMELH-SFHVURJKSA-N 1 3 328.460 2.862 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc4sccc43)C2)C1 ZINC001276777530 1315168679 /nfs/dbraw/zinc/16/86/79/1315168679.db2.gz WCRSQYPAFXVASS-UHFFFAOYSA-N 1 3 329.513 2.971 20 0 EFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc4sccc43)C2)C1 ZINC001276777530 1315168682 /nfs/dbraw/zinc/16/86/82/1315168682.db2.gz WCRSQYPAFXVASS-UHFFFAOYSA-N 1 3 329.513 2.971 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001276777682 1315169631 /nfs/dbraw/zinc/16/96/31/1315169631.db2.gz YDPGYAFABLMBHP-PKOBYXMFSA-N 1 3 331.504 2.542 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001276777682 1315169634 /nfs/dbraw/zinc/16/96/34/1315169634.db2.gz YDPGYAFABLMBHP-PKOBYXMFSA-N 1 3 331.504 2.542 20 0 EFADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054042211 1315209417 /nfs/dbraw/zinc/20/94/17/1315209417.db2.gz RJWRASXDMJPSHN-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054042211 1315209422 /nfs/dbraw/zinc/20/94/22/1315209422.db2.gz RJWRASXDMJPSHN-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1nc2ccccc2nc1Cl ZINC001218565249 1315215364 /nfs/dbraw/zinc/21/53/64/1315215364.db2.gz RMHHRBYBAJBCRE-LBPRGKRZSA-N 1 3 349.866 2.717 20 0 EFADHO CC(C)C[C@@](C)(N)C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1 ZINC001218709146 1315233604 /nfs/dbraw/zinc/23/36/04/1315233604.db2.gz IMIAPTSFSBWCGC-GOSISDBHSA-N 1 3 330.407 2.760 20 0 EFADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001218712281 1315233720 /nfs/dbraw/zinc/23/37/20/1315233720.db2.gz GPWAOAUSRUJXHE-LSDHHAIUSA-N 1 3 326.400 2.776 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c[nH]c3ccc(F)cc13)C2 ZINC001276796297 1315243361 /nfs/dbraw/zinc/24/33/61/1315243361.db2.gz NVGNFPPOVVIYLK-UHFFFAOYSA-N 1 3 344.478 2.766 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218861340 1315252818 /nfs/dbraw/zinc/25/28/18/1315252818.db2.gz KCQGAKSCYHHLQG-SFHVURJKSA-N 1 3 331.460 2.617 20 0 EFADHO COCCOC[NH2+][C@@]12CC[C@@](NCc3[nH]c(C)cc3C)(C1)CCC2 ZINC001276798285 1315255924 /nfs/dbraw/zinc/25/59/24/1315255924.db2.gz SKNUVDSKIZBUQL-MOPGFXCFSA-N 1 3 335.492 2.777 20 0 EFADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H](N)C2Cc3ccccc3C2)cc1 ZINC001218898341 1315256502 /nfs/dbraw/zinc/25/65/02/1315256502.db2.gz NWFHPMPBSOCSSD-IBGZPJMESA-N 1 3 337.467 2.604 20 0 EFADHO Cc1nc2cc(Cl)c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2o1 ZINC001218910428 1315258721 /nfs/dbraw/zinc/25/87/21/1315258721.db2.gz ASBJISGPZOBSHO-LBPRGKRZSA-N 1 3 338.839 2.787 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001250763617 1315261134 /nfs/dbraw/zinc/26/11/34/1315261134.db2.gz MNGABCSDMBSFHJ-QUCCMNQESA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001250763617 1315261139 /nfs/dbraw/zinc/26/11/39/1315261139.db2.gz MNGABCSDMBSFHJ-QUCCMNQESA-N 1 3 332.488 2.577 20 0 EFADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1csc([C@H]2CCCN2)n1 ZINC001218938981 1315261665 /nfs/dbraw/zinc/26/16/65/1315261665.db2.gz YXGLTVQEPRCYAZ-OAHLLOKOSA-N 1 3 342.468 2.508 20 0 EFADHO O=C(Nc1cccc2c1CNC2)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC001218994113 1315270029 /nfs/dbraw/zinc/27/00/29/1315270029.db2.gz BBBXBRQUJLMTPM-UHFFFAOYSA-N 1 3 345.446 2.947 20 0 EFADHO N[C@@H](C(=O)Nc1cccc2c1C[NH2+]C2)C12CC3CC(CC(C3)C1)C2 ZINC001218993558 1315270176 /nfs/dbraw/zinc/27/01/76/1315270176.db2.gz QUVDMXIYUONRFT-HLJROMEYSA-N 1 3 325.456 2.772 20 0 EFADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1cc2c(s1)CNCC2 ZINC001218997397 1315270499 /nfs/dbraw/zinc/27/04/99/1315270499.db2.gz CDEZLLIBZICEGY-AWEZNQCLSA-N 1 3 327.453 2.723 20 0 EFADHO O=C(C[C@@H]1Cc2ccccc2CN1)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996462 1315270867 /nfs/dbraw/zinc/27/08/67/1315270867.db2.gz JTDZUNNDXRRAHY-ICSRJNTNSA-N 1 3 335.451 2.807 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2cc(O)ccc21 ZINC001219034064 1315274824 /nfs/dbraw/zinc/27/48/24/1315274824.db2.gz YSMMUNAGERHBPB-KRWDZBQOSA-N 1 3 329.444 2.980 20 0 EFADHO CC(C)Oc1cc(NC(=O)[C@@H](N)CCC[NH3+])c(Cl)cc1Cl ZINC001219124583 1315284201 /nfs/dbraw/zinc/28/42/01/1315284201.db2.gz VOVLQLAIVLZBDJ-NSHDSACASA-N 1 3 334.247 2.785 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC001219347669 1315302898 /nfs/dbraw/zinc/30/28/98/1315302898.db2.gz RXNHAIBCFZXAOU-GOSISDBHSA-N 1 3 325.456 2.951 20 0 EFADHO Cc1cc(C)cc(C(=O)c2ccccc2NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001219495652 1315318482 /nfs/dbraw/zinc/31/84/82/1315318482.db2.gz XIUWEKFWLXTZQW-KRWDZBQOSA-N 1 3 339.439 2.539 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001219587110 1315328312 /nfs/dbraw/zinc/32/83/12/1315328312.db2.gz QZZTZBZLZKIYIJ-LESCRADOSA-N 1 3 349.906 2.809 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC001251193748 1315329598 /nfs/dbraw/zinc/32/95/98/1315329598.db2.gz BDCUHNATPTZREK-OTWHNJEPSA-N 1 3 332.488 2.765 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC001251193748 1315329602 /nfs/dbraw/zinc/32/96/02/1315329602.db2.gz BDCUHNATPTZREK-OTWHNJEPSA-N 1 3 332.488 2.765 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054128930 1315337440 /nfs/dbraw/zinc/33/74/40/1315337440.db2.gz GTOPZBFBJFHDSR-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054128930 1315337443 /nfs/dbraw/zinc/33/74/43/1315337443.db2.gz GTOPZBFBJFHDSR-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054128932 1315337823 /nfs/dbraw/zinc/33/78/23/1315337823.db2.gz GTOPZBFBJFHDSR-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054128932 1315337825 /nfs/dbraw/zinc/33/78/25/1315337825.db2.gz GTOPZBFBJFHDSR-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129539 1315338784 /nfs/dbraw/zinc/33/87/84/1315338784.db2.gz SYRHKEOAHICRHY-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129539 1315338787 /nfs/dbraw/zinc/33/87/87/1315338787.db2.gz SYRHKEOAHICRHY-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129537 1315338818 /nfs/dbraw/zinc/33/88/18/1315338818.db2.gz SYRHKEOAHICRHY-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129537 1315338821 /nfs/dbraw/zinc/33/88/21/1315338821.db2.gz SYRHKEOAHICRHY-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054129567 1315338975 /nfs/dbraw/zinc/33/89/75/1315338975.db2.gz UTBAZRDEFAOWIO-AZUAARDMSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054129567 1315338978 /nfs/dbraw/zinc/33/89/78/1315338978.db2.gz UTBAZRDEFAOWIO-AZUAARDMSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)CCC1 ZINC001054142511 1315359390 /nfs/dbraw/zinc/35/93/90/1315359390.db2.gz DVTROTOUYWLPDN-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)CCC1 ZINC001054142511 1315359395 /nfs/dbraw/zinc/35/93/95/1315359395.db2.gz DVTROTOUYWLPDN-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219951930 1315359387 /nfs/dbraw/zinc/35/93/87/1315359387.db2.gz IFJGQFRKPGEKBH-IBGZPJMESA-N 1 3 331.504 2.765 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144043 1315361583 /nfs/dbraw/zinc/36/15/83/1315361583.db2.gz PAIFPPIQVCWSFV-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144043 1315361588 /nfs/dbraw/zinc/36/15/88/1315361588.db2.gz PAIFPPIQVCWSFV-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001054144878 1315362956 /nfs/dbraw/zinc/36/29/56/1315362956.db2.gz DOUBCDLWDUBSAN-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001054144878 1315362961 /nfs/dbraw/zinc/36/29/61/1315362961.db2.gz DOUBCDLWDUBSAN-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc2c1C[NH2+]CC2 ZINC001219999284 1315364732 /nfs/dbraw/zinc/36/47/32/1315364732.db2.gz OZDMQMUMWBCQHE-NRFANRHFSA-N 1 3 349.478 2.899 20 0 EFADHO CC1(C)C[NH2+][C@@](C)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001219999426 1315365273 /nfs/dbraw/zinc/36/52/73/1315365273.db2.gz SYUKTEFWRLCKOQ-FXAWDEMLSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCc1ccccc1 ZINC001220061721 1315369555 /nfs/dbraw/zinc/36/95/55/1315369555.db2.gz DDPPQRXSCUHDHK-MJGOQNOKSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCc1ccccc1 ZINC001220061721 1315369560 /nfs/dbraw/zinc/36/95/60/1315369560.db2.gz DDPPQRXSCUHDHK-MJGOQNOKSA-N 1 3 331.504 2.717 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054154440 1315379388 /nfs/dbraw/zinc/37/93/88/1315379388.db2.gz URFCWXHXOMKJFX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054154440 1315379392 /nfs/dbraw/zinc/37/93/92/1315379392.db2.gz URFCWXHXOMKJFX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039280 1315412737 /nfs/dbraw/zinc/41/27/37/1315412737.db2.gz BXKWPKVFMMLRLH-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039280 1315412740 /nfs/dbraw/zinc/41/27/40/1315412740.db2.gz BXKWPKVFMMLRLH-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220440837 1315413237 /nfs/dbraw/zinc/41/32/37/1315413237.db2.gz KKWFYUCAEJFYQC-MOPGFXCFSA-N 1 3 341.499 2.908 20 0 EFADHO O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220440837 1315413242 /nfs/dbraw/zinc/41/32/42/1315413242.db2.gz KKWFYUCAEJFYQC-MOPGFXCFSA-N 1 3 341.499 2.908 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CC2CC(C)(C)C2)c1 ZINC001039039927 1315413346 /nfs/dbraw/zinc/41/33/46/1315413346.db2.gz LUYXUCOHQGJRPS-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CC2CC(C)(C)C2)c1 ZINC001039039927 1315413349 /nfs/dbraw/zinc/41/33/49/1315413349.db2.gz LUYXUCOHQGJRPS-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494185 1315420867 /nfs/dbraw/zinc/42/08/67/1315420867.db2.gz FYRJREVXYJHLFG-LJQANCHMSA-N 1 3 337.467 2.611 20 0 EFADHO Cc1cc([C@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)ccc1Cl ZINC001220555480 1315424623 /nfs/dbraw/zinc/42/46/23/1315424623.db2.gz JSCWWCLNFFFLKW-BBRMVZONSA-N 1 3 335.879 2.700 20 0 EFADHO Cc1cc([C@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)ccc1Cl ZINC001220555480 1315424627 /nfs/dbraw/zinc/42/46/27/1315424627.db2.gz JSCWWCLNFFFLKW-BBRMVZONSA-N 1 3 335.879 2.700 20 0 EFADHO CC/C=C/NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001220560317 1315425657 /nfs/dbraw/zinc/42/56/57/1315425657.db2.gz CFUJXKFROMTNHG-IJMGQZBTSA-N 1 3 327.472 2.528 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192211 1315433306 /nfs/dbraw/zinc/43/33/06/1315433306.db2.gz RGWOYGKADDZZKZ-QUCCMNQESA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192211 1315433308 /nfs/dbraw/zinc/43/33/08/1315433308.db2.gz RGWOYGKADDZZKZ-QUCCMNQESA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192353 1315433784 /nfs/dbraw/zinc/43/37/84/1315433784.db2.gz VNDGEJZNAKTFQM-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192353 1315433788 /nfs/dbraw/zinc/43/37/88/1315433788.db2.gz VNDGEJZNAKTFQM-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@H](O)COc1cccc3ccccc31)CC2 ZINC001252386675 1315443550 /nfs/dbraw/zinc/44/35/50/1315443550.db2.gz PJECODPLYPKTLE-SFHVURJKSA-N 1 3 340.467 2.607 20 0 EFADHO CC(C)C[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1ccccn1 ZINC001220719141 1315443605 /nfs/dbraw/zinc/44/36/05/1315443605.db2.gz RXFMSTRIUVHEQO-WMZOPIPTSA-N 1 3 334.508 2.781 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198331 1315443626 /nfs/dbraw/zinc/44/36/26/1315443626.db2.gz VYWVVOMKUURTEG-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198331 1315443629 /nfs/dbraw/zinc/44/36/29/1315443629.db2.gz VYWVVOMKUURTEG-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054198275 1315443827 /nfs/dbraw/zinc/44/38/27/1315443827.db2.gz UKVOSTRYQWAUMU-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054198275 1315443831 /nfs/dbraw/zinc/44/38/31/1315443831.db2.gz UKVOSTRYQWAUMU-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198513 1315444250 /nfs/dbraw/zinc/44/42/50/1315444250.db2.gz YVDDEXAVYHNCLP-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198513 1315444253 /nfs/dbraw/zinc/44/42/53/1315444253.db2.gz YVDDEXAVYHNCLP-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198511 1315444360 /nfs/dbraw/zinc/44/43/60/1315444360.db2.gz YVDDEXAVYHNCLP-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198511 1315444364 /nfs/dbraw/zinc/44/43/64/1315444364.db2.gz YVDDEXAVYHNCLP-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccccc1Oc1ccc(Cl)cc1 ZINC001220734629 1315445514 /nfs/dbraw/zinc/44/55/14/1315445514.db2.gz ZVEFHHJUQGNICQ-INIZCTEOSA-N 1 3 347.846 2.815 20 0 EFADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCC[C@H](c4ccccc4)N3)(C1)CCC2 ZINC001220781258 1315451116 /nfs/dbraw/zinc/45/11/16/1315451116.db2.gz VMYGOMLXLFIQIL-IZBJGVDFSA-N 1 3 327.472 2.790 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001054205522 1315453532 /nfs/dbraw/zinc/45/35/32/1315453532.db2.gz SROPAPWDAIVUBV-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001054205522 1315453535 /nfs/dbraw/zinc/45/35/35/1315453535.db2.gz SROPAPWDAIVUBV-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220859627 1315458326 /nfs/dbraw/zinc/45/83/26/1315458326.db2.gz HKQORNONKQTINZ-OLZOCXBDSA-N 1 3 332.275 2.873 20 0 EFADHO CCCCOC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252531550 1315463814 /nfs/dbraw/zinc/46/38/14/1315463814.db2.gz GWYACMJJEOAJFR-MXEMCNAFSA-N 1 3 346.515 2.949 20 0 EFADHO CCCCOC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252531550 1315463818 /nfs/dbraw/zinc/46/38/18/1315463818.db2.gz GWYACMJJEOAJFR-MXEMCNAFSA-N 1 3 346.515 2.949 20 0 EFADHO CC[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(C)cc1C ZINC001220962273 1315468102 /nfs/dbraw/zinc/46/81/02/1315468102.db2.gz GTUQSVAEKNOFDG-MSOLQXFVSA-N 1 3 329.488 2.745 20 0 EFADHO CC[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(C)cc1C ZINC001220962273 1315468105 /nfs/dbraw/zinc/46/81/05/1315468105.db2.gz GTUQSVAEKNOFDG-MSOLQXFVSA-N 1 3 329.488 2.745 20 0 EFADHO N[C@H](C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C1CCCCC1 ZINC001221031598 1315474017 /nfs/dbraw/zinc/47/40/17/1315474017.db2.gz QIHDVMLAMFTUGG-RBUKOAKNSA-N 1 3 347.478 2.890 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680640 1315485775 /nfs/dbraw/zinc/48/57/75/1315485775.db2.gz DONVHTNGFLUQEV-NHCUHLMSSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680640 1315485778 /nfs/dbraw/zinc/48/57/78/1315485778.db2.gz DONVHTNGFLUQEV-NHCUHLMSSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252680719 1315486423 /nfs/dbraw/zinc/48/64/23/1315486423.db2.gz UJRVQRCSHUWANS-QGLKVJOYSA-N 1 3 348.531 2.667 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252680719 1315486426 /nfs/dbraw/zinc/48/64/26/1315486426.db2.gz UJRVQRCSHUWANS-QGLKVJOYSA-N 1 3 348.531 2.667 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F)N(C)C ZINC001221204019 1315492126 /nfs/dbraw/zinc/49/21/26/1315492126.db2.gz GNKVKSSSCSHFRS-RTBURBONSA-N 1 3 349.494 2.959 20 0 EFADHO C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)C1 ZINC001221240995 1315496227 /nfs/dbraw/zinc/49/62/27/1315496227.db2.gz KKNPOJMBHJOXMR-KYJSFNMBSA-N 1 3 335.879 2.548 20 0 EFADHO CN1CCC[C@](C)(NC(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)C1 ZINC001221241747 1315496426 /nfs/dbraw/zinc/49/64/26/1315496426.db2.gz ZKMZKHFAAVTPDM-FPOVZHCZSA-N 1 3 339.483 2.700 20 0 EFADHO CC(C)P(CCNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2)C(C)C ZINC001221254900 1315498869 /nfs/dbraw/zinc/49/88/69/1315498869.db2.gz ZHZCRLWCGKQAQV-SJLPKXTDSA-N 1 3 342.464 2.950 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC001252747169 1315499685 /nfs/dbraw/zinc/49/96/85/1315499685.db2.gz VNANYNVMQGDHAW-SFHVURJKSA-N 1 3 334.504 2.799 20 0 EFADHO CCC[C@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252781218 1315506000 /nfs/dbraw/zinc/50/60/00/1315506000.db2.gz FTENOPCNCKGMRA-IBGZPJMESA-N 1 3 331.504 2.919 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243526 1315513117 /nfs/dbraw/zinc/51/31/17/1315513117.db2.gz JEURBTJEYCMYPK-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243526 1315513121 /nfs/dbraw/zinc/51/31/21/1315513121.db2.gz JEURBTJEYCMYPK-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039133710 1315517327 /nfs/dbraw/zinc/51/73/27/1315517327.db2.gz KRPRLERZKOAVLD-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039133710 1315517330 /nfs/dbraw/zinc/51/73/30/1315517330.db2.gz KRPRLERZKOAVLD-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135233 1315520470 /nfs/dbraw/zinc/52/04/70/1315520470.db2.gz ZDVQUZCFMANOAO-OALUTQOASA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039135233 1315520476 /nfs/dbraw/zinc/52/04/76/1315520476.db2.gz ZDVQUZCFMANOAO-OALUTQOASA-N 1 3 335.536 2.543 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC001253007885 1315550482 /nfs/dbraw/zinc/55/04/82/1315550482.db2.gz VLDBDASCZNJCSM-PKOBYXMFSA-N 1 3 328.541 2.996 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253009142 1315551555 /nfs/dbraw/zinc/55/15/55/1315551555.db2.gz GCFWNRPRSBANJZ-MSOLQXFVSA-N 1 3 326.525 2.608 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039159212 1315556184 /nfs/dbraw/zinc/55/61/84/1315556184.db2.gz HGNFIHBIALJFJM-YWJKWWDISA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039159212 1315556188 /nfs/dbraw/zinc/55/61/88/1315556188.db2.gz HGNFIHBIALJFJM-YWJKWWDISA-N 1 3 341.927 2.640 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221588062 1315557707 /nfs/dbraw/zinc/55/77/07/1315557707.db2.gz RKFCCEXCVGDWPP-KZNAEPCWSA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)C)C[C@H]21 ZINC001221588062 1315557711 /nfs/dbraw/zinc/55/77/11/1315557711.db2.gz RKFCCEXCVGDWPP-KZNAEPCWSA-N 1 3 341.515 2.635 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001039164026 1315563068 /nfs/dbraw/zinc/56/30/68/1315563068.db2.gz HEORNEYBXFPJPZ-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001039164026 1315563072 /nfs/dbraw/zinc/56/30/72/1315563072.db2.gz HEORNEYBXFPJPZ-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165782 1315565302 /nfs/dbraw/zinc/56/53/02/1315565302.db2.gz SSZNRTLKKGFMSU-QUCCMNQESA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165782 1315565305 /nfs/dbraw/zinc/56/53/05/1315565305.db2.gz SSZNRTLKKGFMSU-QUCCMNQESA-N 1 3 347.547 2.855 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001054735732 1315572866 /nfs/dbraw/zinc/57/28/66/1315572866.db2.gz HLDNALQAXSOVQM-KBXCAEBGSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001054735743 1315572925 /nfs/dbraw/zinc/57/29/25/1315572925.db2.gz HLDNALQAXSOVQM-RDTXWAMCSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054736182 1315573108 /nfs/dbraw/zinc/57/31/08/1315573108.db2.gz JJDHWUCARGKJIE-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172669 1315576204 /nfs/dbraw/zinc/57/62/04/1315576204.db2.gz BBJMHZFAQNQNJC-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172669 1315576209 /nfs/dbraw/zinc/57/62/09/1315576209.db2.gz BBJMHZFAQNQNJC-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCCCc1ccccc1Br ZINC001253208469 1315580639 /nfs/dbraw/zinc/58/06/39/1315580639.db2.gz RFLCVSSSMDSWRO-OAHLLOKOSA-N 1 3 343.309 2.674 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCCCc1ccc(C(F)(F)F)cc1 ZINC001253207759 1315580891 /nfs/dbraw/zinc/58/08/91/1315580891.db2.gz JEBXJQLJMWXKPO-MRXNPFEDSA-N 1 3 332.410 2.930 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2cccc(OC)c2)CCC1 ZINC001253212194 1315580980 /nfs/dbraw/zinc/58/09/80/1315580980.db2.gz FWHSNOHDPNZGMT-GOSISDBHSA-N 1 3 334.504 2.700 20 0 EFADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC001039175955 1315581581 /nfs/dbraw/zinc/58/15/81/1315581581.db2.gz IFUXRKXQMPVCOD-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC001039175955 1315581582 /nfs/dbraw/zinc/58/15/82/1315581582.db2.gz IFUXRKXQMPVCOD-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC001253216329 1315582221 /nfs/dbraw/zinc/58/22/21/1315582221.db2.gz LWNOJNNYHWAMCA-OAGGEKHMSA-N 1 3 341.293 2.597 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039182483 1315590135 /nfs/dbraw/zinc/59/01/35/1315590135.db2.gz OUALMTILIISXGQ-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039182483 1315590138 /nfs/dbraw/zinc/59/01/38/1315590138.db2.gz OUALMTILIISXGQ-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCCF)C1)C1CCC1 ZINC001039211872 1315626678 /nfs/dbraw/zinc/62/66/78/1315626678.db2.gz CWAJIICRMUUMCM-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCCF)C1)C1CCC1 ZINC001039211872 1315626680 /nfs/dbraw/zinc/62/66/80/1315626680.db2.gz CWAJIICRMUUMCM-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213717 1315629932 /nfs/dbraw/zinc/62/99/32/1315629932.db2.gz LKDJSZIYBXZCNN-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213717 1315629934 /nfs/dbraw/zinc/62/99/34/1315629934.db2.gz LKDJSZIYBXZCNN-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001039213538 1315630304 /nfs/dbraw/zinc/63/03/04/1315630304.db2.gz LGXLHKOFGKUTMO-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001039213538 1315630308 /nfs/dbraw/zinc/63/03/08/1315630308.db2.gz LGXLHKOFGKUTMO-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000321632 1315654408 /nfs/dbraw/zinc/65/44/08/1315654408.db2.gz UMCCKFMRUSONFM-DOTOQJQBSA-N 1 3 326.444 2.602 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)C1 ZINC001000333759 1315654869 /nfs/dbraw/zinc/65/48/69/1315654869.db2.gz RLXGAGDMXHVHTG-MRXNPFEDSA-N 1 3 347.528 2.561 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)C1 ZINC001000333759 1315654873 /nfs/dbraw/zinc/65/48/73/1315654873.db2.gz RLXGAGDMXHVHTG-MRXNPFEDSA-N 1 3 347.528 2.561 20 0 EFADHO COC[C@H]1CCCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035501 1315667437 /nfs/dbraw/zinc/66/74/37/1315667437.db2.gz XMYPZYQXDHTCDA-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO COC[C@H]1CCCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035501 1315667439 /nfs/dbraw/zinc/66/74/39/1315667439.db2.gz XMYPZYQXDHTCDA-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO OC1(C[N@@H+]2CCC[C@]3(CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035861 1315667575 /nfs/dbraw/zinc/66/75/75/1315667575.db2.gz KZEYPBUAXHQYIW-FQEVSTJZSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@H+]2CCC[C@]3(CCOC3)C2)CCN(Cc2ccccc2)CC1 ZINC001254035861 1315667578 /nfs/dbraw/zinc/66/75/78/1315667578.db2.gz KZEYPBUAXHQYIW-FQEVSTJZSA-N 1 3 344.499 2.516 20 0 EFADHO CCCO[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035726 1315667642 /nfs/dbraw/zinc/66/76/42/1315667642.db2.gz ALUMBENNOHNMCF-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CCCO[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035726 1315667646 /nfs/dbraw/zinc/66/76/46/1315667646.db2.gz ALUMBENNOHNMCF-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO COCC[C@H]1CCCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254037049 1315667854 /nfs/dbraw/zinc/66/78/54/1315667854.db2.gz NLDCGNZPUVKVHR-HXUWFJFHSA-N 1 3 346.515 2.905 20 0 EFADHO COCC[C@H]1CCCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254037049 1315667856 /nfs/dbraw/zinc/66/78/56/1315667856.db2.gz NLDCGNZPUVKVHR-HXUWFJFHSA-N 1 3 346.515 2.905 20 0 EFADHO C[C@H]1C[C@H]2C[N@H+](CC3(O)CCN(Cc4ccccc4)CC3)CC[C@H]2O1 ZINC001254034431 1315667997 /nfs/dbraw/zinc/66/79/97/1315667997.db2.gz CSRRDUPLGAPQME-YSIASYRMSA-N 1 3 344.499 2.513 20 0 EFADHO C[C@H]1C[C@H]2C[N@@H+](CC3(O)CCN(Cc4ccccc4)CC3)CC[C@H]2O1 ZINC001254034431 1315667999 /nfs/dbraw/zinc/66/79/99/1315667999.db2.gz CSRRDUPLGAPQME-YSIASYRMSA-N 1 3 344.499 2.513 20 0 EFADHO OC1(CN2CC(c3cccnc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001254040450 1315668478 /nfs/dbraw/zinc/66/84/78/1315668478.db2.gz UFRONFLZPZDKCS-UHFFFAOYSA-N 1 3 337.467 2.508 20 0 EFADHO OC1(C[NH+]2CCC(C(F)F)CC2)CCN(Cc2ccccc2)CC1 ZINC001254040472 1315668592 /nfs/dbraw/zinc/66/85/92/1315668592.db2.gz UQQVMLMAKWSDNS-UHFFFAOYSA-N 1 3 338.442 2.991 20 0 EFADHO CCCOC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038750 1315668670 /nfs/dbraw/zinc/66/86/70/1315668670.db2.gz NCYDPLSTCQEEJC-UHFFFAOYSA-N 1 3 346.515 2.905 20 0 EFADHO OC1(C[NH+]2CCC3(CCCO3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254038940 1315668884 /nfs/dbraw/zinc/66/88/84/1315668884.db2.gz SLAKLRRXRXXIAW-UHFFFAOYSA-N 1 3 344.499 2.659 20 0 EFADHO OC1(CN[C@H]2COc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001254050061 1315669346 /nfs/dbraw/zinc/66/93/46/1315669346.db2.gz DBWXMQRWTWKIGK-IBGZPJMESA-N 1 3 338.451 2.737 20 0 EFADHO OC1(CNC2(c3ccncc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254049322 1315669364 /nfs/dbraw/zinc/66/93/64/1315669364.db2.gz CMEAHBYSHDBSII-UHFFFAOYSA-N 1 3 337.467 2.687 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2ccc(Cl)cc2Cl)nn1 ZINC001254162524 1315677105 /nfs/dbraw/zinc/67/71/05/1315677105.db2.gz DBVLPKLOAVZDFC-UHFFFAOYSA-N 1 3 342.274 2.971 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2cccc(C(F)(F)F)c2)nn1 ZINC001254162912 1315677384 /nfs/dbraw/zinc/67/73/84/1315677384.db2.gz JJVQODPSDDZDFN-UHFFFAOYSA-N 1 3 341.381 2.683 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189591 1315679250 /nfs/dbraw/zinc/67/92/50/1315679250.db2.gz XPDLCECLECZPTI-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189591 1315679253 /nfs/dbraw/zinc/67/92/53/1315679253.db2.gz XPDLCECLECZPTI-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189591 1315679256 /nfs/dbraw/zinc/67/92/56/1315679256.db2.gz XPDLCECLECZPTI-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC001254189010 1315679467 /nfs/dbraw/zinc/67/94/67/1315679467.db2.gz YDDAPHMPQFWSHB-MRXNPFEDSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H](NCCC[NH+]2CCCC2)C1 ZINC001254189010 1315679471 /nfs/dbraw/zinc/67/94/71/1315679471.db2.gz YDDAPHMPQFWSHB-MRXNPFEDSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)=CCN1CC=C(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000768132 1315685188 /nfs/dbraw/zinc/68/51/88/1315685188.db2.gz VQZSHEDJVSOOSU-LJQANCHMSA-N 1 3 333.520 2.679 20 0 EFADHO CC(C)=CCN1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768132 1315685192 /nfs/dbraw/zinc/68/51/92/1315685192.db2.gz VQZSHEDJVSOOSU-LJQANCHMSA-N 1 3 333.520 2.679 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254380511 1315700044 /nfs/dbraw/zinc/70/00/44/1315700044.db2.gz SUAKNTBXEVCSHM-WOJBJXKFSA-N 1 3 344.499 2.921 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254521100 1315715303 /nfs/dbraw/zinc/71/53/03/1315715303.db2.gz SQTRXHZYXHIZGV-INIZCTEOSA-N 1 3 337.508 2.946 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254521100 1315715305 /nfs/dbraw/zinc/71/53/05/1315715305.db2.gz SQTRXHZYXHIZGV-INIZCTEOSA-N 1 3 337.508 2.946 20 0 EFADHO CN1C(=O)CC2(CCN([C@H]3CCC[N@H+](C)CC3)CC2)c2ccccc21 ZINC001254521168 1315715368 /nfs/dbraw/zinc/71/53/68/1315715368.db2.gz IDMCXTKSQMWXSR-KRWDZBQOSA-N 1 3 341.499 2.871 20 0 EFADHO CN1C(=O)CC2(CCN([C@H]3CCC[N@@H+](C)CC3)CC2)c2ccccc21 ZINC001254521168 1315715371 /nfs/dbraw/zinc/71/53/71/1315715371.db2.gz IDMCXTKSQMWXSR-KRWDZBQOSA-N 1 3 341.499 2.871 20 0 EFADHO CN1C(=O)CC2(CCN([C@@H]3CCC[N@H+](C)CC3)CC2)c2ccccc21 ZINC001254521169 1315715816 /nfs/dbraw/zinc/71/58/16/1315715816.db2.gz IDMCXTKSQMWXSR-QGZVFWFLSA-N 1 3 341.499 2.871 20 0 EFADHO CN1C(=O)CC2(CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)c2ccccc21 ZINC001254521169 1315715818 /nfs/dbraw/zinc/71/58/18/1315715818.db2.gz IDMCXTKSQMWXSR-QGZVFWFLSA-N 1 3 341.499 2.871 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521522 1315717191 /nfs/dbraw/zinc/71/71/91/1315717191.db2.gz VBXBBHRWTJDJTD-MRXNPFEDSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521522 1315717192 /nfs/dbraw/zinc/71/71/92/1315717192.db2.gz VBXBBHRWTJDJTD-MRXNPFEDSA-N 1 3 337.508 2.946 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CCC[N@@H+](C)CC4)C3)CC2=O)s1 ZINC001254524180 1315717569 /nfs/dbraw/zinc/71/75/69/1315717569.db2.gz YOKOOIUJNXZVLX-VQIMIIECSA-N 1 3 347.528 2.970 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CCC[N@H+](C)CC4)C3)CC2=O)s1 ZINC001254524180 1315717571 /nfs/dbraw/zinc/71/75/71/1315717571.db2.gz YOKOOIUJNXZVLX-VQIMIIECSA-N 1 3 347.528 2.970 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(N3Cc4ccccc4C3=O)CC2)CC1 ZINC001254532081 1315720885 /nfs/dbraw/zinc/72/08/85/1315720885.db2.gz OSWIIAZZQMCBNK-KRWDZBQOSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(N3Cc4ccccc4C3=O)CC2)CC1 ZINC001254532081 1315720887 /nfs/dbraw/zinc/72/08/87/1315720887.db2.gz OSWIIAZZQMCBNK-KRWDZBQOSA-N 1 3 327.472 2.591 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1 ZINC001254532751 1315720910 /nfs/dbraw/zinc/72/09/10/1315720910.db2.gz WBMUOGNZXGMSPQ-QZTJIDSGSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1 ZINC001254532751 1315720913 /nfs/dbraw/zinc/72/09/13/1315720913.db2.gz WBMUOGNZXGMSPQ-QZTJIDSGSA-N 1 3 333.451 2.504 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F ZINC001001522684 1315735153 /nfs/dbraw/zinc/73/51/53/1315735153.db2.gz HBFBIGPUICHYSZ-IBGZPJMESA-N 1 3 347.478 2.814 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157921 1315745878 /nfs/dbraw/zinc/74/58/78/1315745878.db2.gz OIDCELMUNMJBKB-YSIASYRMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157921 1315745880 /nfs/dbraw/zinc/74/58/80/1315745880.db2.gz OIDCELMUNMJBKB-YSIASYRMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157925 1315746043 /nfs/dbraw/zinc/74/60/43/1315746043.db2.gz OIDCELMUNMJBKB-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157925 1315746047 /nfs/dbraw/zinc/74/60/47/1315746047.db2.gz OIDCELMUNMJBKB-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO [NH3+]C[C@@H](N[C@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1 ZINC001254840771 1315748077 /nfs/dbraw/zinc/74/80/77/1315748077.db2.gz NQXQBRKSYOBXPJ-JKSUJKDBSA-N 1 3 338.293 2.523 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254891303 1315755512 /nfs/dbraw/zinc/75/55/12/1315755512.db2.gz PDYSMNSUFIKZOM-YYIAUSFCSA-N 1 3 337.508 2.706 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415306 1315776584 /nfs/dbraw/zinc/77/65/84/1315776584.db2.gz DAINGCNUUXBTSP-KURKYZTESA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415306 1315776587 /nfs/dbraw/zinc/77/65/87/1315776587.db2.gz DAINGCNUUXBTSP-KURKYZTESA-N 1 3 335.536 2.972 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001255127993 1315778979 /nfs/dbraw/zinc/77/89/79/1315778979.db2.gz HWLZEBIIFFCSGI-HUUJSLGLSA-N 1 3 337.467 2.900 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255125714 1315779340 /nfs/dbraw/zinc/77/93/40/1315779340.db2.gz DXXNKSSSDPAHLK-YCEIQTCASA-N 1 3 328.456 2.723 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125714 1315779343 /nfs/dbraw/zinc/77/93/43/1315779343.db2.gz DXXNKSSSDPAHLK-YCEIQTCASA-N 1 3 328.456 2.723 20 0 EFADHO O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001255127994 1315779507 /nfs/dbraw/zinc/77/95/07/1315779507.db2.gz HWLZEBIIFFCSGI-JTJHWIPRSA-N 1 3 337.467 2.900 20 0 EFADHO CNC(=O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)(C)C ZINC001255128551 1315780155 /nfs/dbraw/zinc/78/01/55/1315780155.db2.gz DHBNOUJJVNQVQD-FCGDIQPGSA-N 1 3 343.515 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2)N(C)C ZINC001050562946 1315781971 /nfs/dbraw/zinc/78/19/71/1315781971.db2.gz HANDSVUXMWSBPL-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCCCN(C)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255188956 1315788891 /nfs/dbraw/zinc/78/88/91/1315788891.db2.gz QVCRCEULRNMMCP-BJWYYQGGSA-N 1 3 325.497 2.850 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2)N(C)C ZINC001050652039 1315789453 /nfs/dbraw/zinc/78/94/53/1315789453.db2.gz OPVZAXYRRDZJQA-GOSISDBHSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001050661706 1315791823 /nfs/dbraw/zinc/79/18/23/1315791823.db2.gz AZLKWHKXHGYWFA-SFHVURJKSA-N 1 3 345.531 2.753 20 0 EFADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN1CCCC1)C2 ZINC001255216915 1315792948 /nfs/dbraw/zinc/79/29/48/1315792948.db2.gz IDUJUSPYDGXACW-BJWYYQGGSA-N 1 3 337.508 2.992 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255224843 1315793565 /nfs/dbraw/zinc/79/35/65/1315793565.db2.gz IOUMQFZZXAZNEW-NXOAAHMSSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001050662978 1315793555 /nfs/dbraw/zinc/79/35/55/1315793555.db2.gz ONEODZXTEMHFPB-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCCC2CCC2)CC3)C1 ZINC001050663440 1315793840 /nfs/dbraw/zinc/79/38/40/1315793840.db2.gz VCDYRGZNPINVNB-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CCC(CC)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001050663656 1315794197 /nfs/dbraw/zinc/79/41/97/1315794197.db2.gz XYYOIYNLKKGVHV-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCC(C[NH+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)CC2)CC1 ZINC001050681417 1315800529 /nfs/dbraw/zinc/80/05/29/1315800529.db2.gz IELRCNBAQHWCHL-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO O[C@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397216 1315816788 /nfs/dbraw/zinc/81/67/88/1315816788.db2.gz NAYGCFZZOWUQRU-WOJBJXKFSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397216 1315816789 /nfs/dbraw/zinc/81/67/89/1315816789.db2.gz NAYGCFZZOWUQRU-WOJBJXKFSA-N 1 3 325.456 2.759 20 0 EFADHO FC(F)(F)CN1CC([NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255398503 1315817681 /nfs/dbraw/zinc/81/76/81/1315817681.db2.gz WLAXOQUEEBUDCQ-MRXNPFEDSA-N 1 3 341.421 2.877 20 0 EFADHO CC(C)c1nnc2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)N4C)cn21 ZINC001255671870 1315855786 /nfs/dbraw/zinc/85/57/86/1315855786.db2.gz WNRWIWQCWUEUPH-ALOPSCKCSA-N 1 3 327.476 2.958 20 0 EFADHO COC[C@H]1COCCC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255678590 1315857486 /nfs/dbraw/zinc/85/74/86/1315857486.db2.gz IDCHLZUFJXVNPO-HTUJPFKRSA-N 1 3 336.520 2.767 20 0 EFADHO COc1cccnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255682513 1315857761 /nfs/dbraw/zinc/85/77/61/1315857761.db2.gz LWVSAPPDZZCURZ-WFFDWFOESA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255682513 1315857765 /nfs/dbraw/zinc/85/77/65/1315857765.db2.gz LWVSAPPDZZCURZ-WFFDWFOESA-N 1 3 345.487 2.949 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255681729 1315857930 /nfs/dbraw/zinc/85/79/30/1315857930.db2.gz DGJQYYDGNZYUQY-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255681729 1315857933 /nfs/dbraw/zinc/85/79/33/1315857933.db2.gz DGJQYYDGNZYUQY-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO COC(=O)c1ccc(C2C[NH+](C3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001255682007 1315857950 /nfs/dbraw/zinc/85/79/50/1315857950.db2.gz HNKGEMVYXPMMLG-DFNIBXOVSA-N 1 3 328.456 2.888 20 0 EFADHO C[C@H](Cc1ccccc1F)N[C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255834307 1315871827 /nfs/dbraw/zinc/87/18/27/1315871827.db2.gz HZVIMSZQQULJKC-CZUORRHYSA-N 1 3 339.455 2.936 20 0 EFADHO C[C@@H](Cc1ccccc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255852210 1315872823 /nfs/dbraw/zinc/87/28/23/1315872823.db2.gz AIZCIWISLYPYGY-KRWDZBQOSA-N 1 3 333.495 2.716 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCCCCC1)CC2 ZINC001255888320 1315876784 /nfs/dbraw/zinc/87/67/84/1315876784.db2.gz FMCMWBNDORRVCQ-UHFFFAOYSA-N 1 3 331.504 2.533 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCCCCC1)CC2 ZINC001255888320 1315876788 /nfs/dbraw/zinc/87/67/88/1315876788.db2.gz FMCMWBNDORRVCQ-UHFFFAOYSA-N 1 3 331.504 2.533 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039583906 1315879426 /nfs/dbraw/zinc/87/94/26/1315879426.db2.gz AWMMAKDRLFRDNM-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039583906 1315879427 /nfs/dbraw/zinc/87/94/27/1315879427.db2.gz AWMMAKDRLFRDNM-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255939115 1315882398 /nfs/dbraw/zinc/88/23/98/1315882398.db2.gz AHLSPXJBKCKOLK-LUKYLMHMSA-N 1 3 339.524 2.809 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940981 1315882897 /nfs/dbraw/zinc/88/28/97/1315882897.db2.gz KPXUZPGOEUNPGS-JONQDZQNSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940981 1315882898 /nfs/dbraw/zinc/88/28/98/1315882898.db2.gz KPXUZPGOEUNPGS-JONQDZQNSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946548 1315883366 /nfs/dbraw/zinc/88/33/66/1315883366.db2.gz AVRVZKKZILHADC-LSDHHAIUSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC[C@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946548 1315883368 /nfs/dbraw/zinc/88/33/68/1315883368.db2.gz AVRVZKKZILHADC-LSDHHAIUSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2cccc(OC)n2)CCOCC1 ZINC001255950874 1315883689 /nfs/dbraw/zinc/88/36/89/1315883689.db2.gz DPPHLTULFWNBPL-QGZVFWFLSA-N 1 3 349.519 2.848 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2cccc(OC)n2)CCOCC1 ZINC001255950872 1315883725 /nfs/dbraw/zinc/88/37/25/1315883725.db2.gz DPPHLTULFWNBPL-KRWDZBQOSA-N 1 3 349.519 2.848 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001255952628 1315884105 /nfs/dbraw/zinc/88/41/05/1315884105.db2.gz GCELQJMZZWEASK-YJBOKZPZSA-N 1 3 335.467 2.750 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC(C)C2)CC[N@@H+]1C ZINC001039607170 1315884206 /nfs/dbraw/zinc/88/42/06/1315884206.db2.gz KFPMWPJFLMWKJF-LPLOCXIKSA-N 1 3 347.547 2.828 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC(C)C2)CC[N@H+]1C ZINC001039607170 1315884209 /nfs/dbraw/zinc/88/42/09/1315884209.db2.gz KFPMWPJFLMWKJF-LPLOCXIKSA-N 1 3 347.547 2.828 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255948808 1315884238 /nfs/dbraw/zinc/88/42/38/1315884238.db2.gz PVUQJPOWSHNZFA-HUUCEWRRSA-N 1 3 327.513 2.952 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001255964015 1315886419 /nfs/dbraw/zinc/88/64/19/1315886419.db2.gz VSNJBZLUHZPHGO-GVDBMIGSSA-N 1 3 336.549 2.627 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001039621504 1315887535 /nfs/dbraw/zinc/88/75/35/1315887535.db2.gz XFTQKUUYYWZURP-INDMIFKZSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001039621504 1315887537 /nfs/dbraw/zinc/88/75/37/1315887537.db2.gz XFTQKUUYYWZURP-INDMIFKZSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001039621504 1315887539 /nfs/dbraw/zinc/88/75/39/1315887539.db2.gz XFTQKUUYYWZURP-INDMIFKZSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001039621504 1315887542 /nfs/dbraw/zinc/88/75/42/1315887542.db2.gz XFTQKUUYYWZURP-INDMIFKZSA-N 1 3 335.536 2.972 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@H+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078601 1315901082 /nfs/dbraw/zinc/90/10/82/1315901082.db2.gz AZLCSQSGENOUPH-KDURUIRLSA-N 1 3 325.500 2.677 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078601 1315901085 /nfs/dbraw/zinc/90/10/85/1315901085.db2.gz AZLCSQSGENOUPH-KDURUIRLSA-N 1 3 325.500 2.677 20 0 EFADHO C[NH+]1CCC(N2CCC3(CC(NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001256202812 1315916731 /nfs/dbraw/zinc/91/67/31/1315916731.db2.gz MOCIVFQJXWXOSB-UHFFFAOYSA-N 1 3 337.508 2.850 20 0 EFADHO Cc1nc(CN2CCCC23CCN(C2CC[NH+](C)CC2)CC3)cs1 ZINC001256203587 1315917565 /nfs/dbraw/zinc/91/75/65/1315917565.db2.gz JUGZEDPZFKPPBS-UHFFFAOYSA-N 1 3 348.560 2.976 20 0 EFADHO CN1CCC(N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)CC1 ZINC001256208594 1315918435 /nfs/dbraw/zinc/91/84/35/1315918435.db2.gz DTKOCHZGVODSMG-UHFFFAOYSA-N 1 3 342.409 2.753 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256482715 1315946970 /nfs/dbraw/zinc/94/69/70/1315946970.db2.gz FQTOIVQWWYXEPK-JKSUJKDBSA-N 1 3 337.508 2.802 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001052443899 1315948234 /nfs/dbraw/zinc/94/82/34/1315948234.db2.gz BEIFCDSHDVOVIG-VANPALJFSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001052443899 1315948237 /nfs/dbraw/zinc/94/82/37/1315948237.db2.gz BEIFCDSHDVOVIG-VANPALJFSA-N 1 3 341.927 2.973 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039795806 1315948617 /nfs/dbraw/zinc/94/86/17/1315948617.db2.gz JTGYASFVPRJARU-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256520911 1315951473 /nfs/dbraw/zinc/95/14/73/1315951473.db2.gz WBLUJSPUTMQTMS-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256520911 1315951477 /nfs/dbraw/zinc/95/14/77/1315951477.db2.gz WBLUJSPUTMQTMS-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528219 1315952486 /nfs/dbraw/zinc/95/24/86/1315952486.db2.gz CMHXXZLGLYJORU-AEFFLSMTSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528219 1315952489 /nfs/dbraw/zinc/95/24/89/1315952489.db2.gz CMHXXZLGLYJORU-AEFFLSMTSA-N 1 3 337.458 2.970 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564805 1315960031 /nfs/dbraw/zinc/96/00/31/1315960031.db2.gz UHGPHRVJNWLPTB-CQSZACIVSA-N 1 3 345.487 2.974 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC1CC[NH+](C(C)(C)C)CC1 ZINC001256564805 1315960032 /nfs/dbraw/zinc/96/00/32/1315960032.db2.gz UHGPHRVJNWLPTB-CQSZACIVSA-N 1 3 345.487 2.974 20 0 EFADHO CN(C)C(=O)c1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256566961 1315960671 /nfs/dbraw/zinc/96/06/71/1315960671.db2.gz QBBKBBIOLFISDB-UHFFFAOYSA-N 1 3 331.504 2.783 20 0 EFADHO CN(C)C(=O)Cc1ccc(CC[NH2+]C2CCN(C(C)(C)C)CC2)cc1 ZINC001256569304 1315960763 /nfs/dbraw/zinc/96/07/63/1315960763.db2.gz ZZUUPWRTJDDXJP-UHFFFAOYSA-N 1 3 345.531 2.712 20 0 EFADHO CCC(=O)N(C)C1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256612119 1315968132 /nfs/dbraw/zinc/96/81/32/1315968132.db2.gz FPNMKCDHDNNFTL-UHFFFAOYSA-N 1 3 343.515 2.984 20 0 EFADHO CCOC(=O)CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001256614656 1315969264 /nfs/dbraw/zinc/96/92/64/1315969264.db2.gz GBJOPXJIIKXPPI-YQQQUEKLSA-N 1 3 342.483 2.692 20 0 EFADHO CCOC(=O)CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001256614656 1315969267 /nfs/dbraw/zinc/96/92/67/1315969267.db2.gz GBJOPXJIIKXPPI-YQQQUEKLSA-N 1 3 342.483 2.692 20 0 EFADHO COc1ccccc1C1([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCOCC1 ZINC001256619386 1315969785 /nfs/dbraw/zinc/96/97/85/1315969785.db2.gz BFRFCHFCLANIOO-ALOPSCKCSA-N 1 3 330.472 2.916 20 0 EFADHO COc1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCOCC2)cc1 ZINC001256619872 1315969812 /nfs/dbraw/zinc/96/98/12/1315969812.db2.gz KVUGMLVFXSKRJF-AYHJJNSGSA-N 1 3 330.472 2.916 20 0 EFADHO COc1ccc(C2(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC001256619872 1315969813 /nfs/dbraw/zinc/96/98/13/1315969813.db2.gz KVUGMLVFXSKRJF-AYHJJNSGSA-N 1 3 330.472 2.916 20 0 EFADHO C[C@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001256623762 1315970990 /nfs/dbraw/zinc/97/09/90/1315970990.db2.gz RHCMAWZFCMGFSL-PMRDEQMMSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001256623762 1315970994 /nfs/dbraw/zinc/97/09/94/1315970994.db2.gz RHCMAWZFCMGFSL-PMRDEQMMSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C[C@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001256631169 1315973138 /nfs/dbraw/zinc/97/31/38/1315973138.db2.gz REZGMYKCQAMGRD-LVYZTWJOSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C[C@H]1CCCN1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001256631169 1315973140 /nfs/dbraw/zinc/97/31/40/1315973140.db2.gz REZGMYKCQAMGRD-LVYZTWJOSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C)c1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678429 1315980102 /nfs/dbraw/zinc/98/01/02/1315980102.db2.gz MJVSFVNKQPAXCM-UHFFFAOYSA-N 1 3 331.504 2.528 20 0 EFADHO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256678192 1315980251 /nfs/dbraw/zinc/98/02/51/1315980251.db2.gz TYVJYZYLPGYMSB-HTWSVDAQSA-N 1 3 334.435 2.882 20 0 EFADHO c1ccc2nc(C[NH2+]C3CCC(N4CCOCC4)CC3)ccc2c1 ZINC001256678555 1315980302 /nfs/dbraw/zinc/98/03/02/1315980302.db2.gz NWJBNULCQBFHDF-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO c1cnn(-c2cccc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2)c1 ZINC001256678563 1315980423 /nfs/dbraw/zinc/98/04/23/1315980423.db2.gz OBULWRPTFFTPQZ-UHFFFAOYSA-N 1 3 340.471 2.605 20 0 EFADHO CC(C)(O)[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256681090 1315980709 /nfs/dbraw/zinc/98/07/09/1315980709.db2.gz JWMBQMIIDFAFIO-ACBHZAAOSA-N 1 3 332.488 2.732 20 0 EFADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001256681753 1315980808 /nfs/dbraw/zinc/98/08/08/1315980808.db2.gz BFBVXYWPNFVJON-ABHNRTSZSA-N 1 3 338.879 2.606 20 0 EFADHO [NH3+][C@@H]1Cc2c3ccccc3n(C3CCC(N4CCOCC4)CC3)c2C1 ZINC001256682497 1315980949 /nfs/dbraw/zinc/98/09/49/1315980949.db2.gz JPSYTECAJSEXSK-KLAILNCOSA-N 1 3 339.483 2.883 20 0 EFADHO COc1cccnc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687085 1315981441 /nfs/dbraw/zinc/98/14/41/1315981441.db2.gz MVARSZWXOYYVCW-TVPLGVNVSA-N 1 3 345.487 2.774 20 0 EFADHO Fc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687387 1315981496 /nfs/dbraw/zinc/98/14/96/1315981496.db2.gz UMWIKTWVGQZXHZ-GPJFCIFZSA-N 1 3 332.463 2.916 20 0 EFADHO Cc1cccnc1C1(C[NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687128 1315981525 /nfs/dbraw/zinc/98/15/25/1315981525.db2.gz NTYDRWMJDIDVPH-UHFFFAOYSA-N 1 3 329.488 2.655 20 0 EFADHO COCCc1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256684521 1315981722 /nfs/dbraw/zinc/98/17/22/1315981722.db2.gz RKRWUSWUCSIMCA-UHFFFAOYSA-N 1 3 332.488 2.609 20 0 EFADHO COc1cncc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256689620 1315981921 /nfs/dbraw/zinc/98/19/21/1315981921.db2.gz YEXFWFHMZQRMKS-AFMYVXGZSA-N 1 3 345.487 2.774 20 0 EFADHO FC(F)(F)c1cccc(C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256687726 1315982304 /nfs/dbraw/zinc/98/23/04/1315982304.db2.gz HBWXTAGJLZHYME-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Cc1cccnc1C(C)(C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687620 1315982360 /nfs/dbraw/zinc/98/23/60/1315982360.db2.gz ZWNATBZLGRINNN-UHFFFAOYSA-N 1 3 331.504 2.901 20 0 EFADHO C([C@@H]1CCCC[N@@H+]1C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256694686 1315983168 /nfs/dbraw/zinc/98/31/68/1315983168.db2.gz CXBUEYOMPMURQQ-MHJFOBGBSA-N 1 3 335.536 2.580 20 0 EFADHO C([C@@H]1CCCC[N@H+]1C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256694686 1315983169 /nfs/dbraw/zinc/98/31/69/1315983169.db2.gz CXBUEYOMPMURQQ-MHJFOBGBSA-N 1 3 335.536 2.580 20 0 EFADHO CC(C)[C@H]1[NH2+]CCc2ncn(C3CCC(N4CCOCC4)CC3)c21 ZINC001256695778 1315983671 /nfs/dbraw/zinc/98/36/71/1315983671.db2.gz MPOXVMVMIQUSGE-LEOMRAHMSA-N 1 3 332.492 2.542 20 0 EFADHO C[C@@H](Cc1ccncc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001256720142 1315984555 /nfs/dbraw/zinc/98/45/55/1315984555.db2.gz BFWOCJXNPUZXTF-SFHVURJKSA-N 1 3 338.499 2.550 20 0 EFADHO Cc1nc([C@@H]2CCCN(C3CCN(c4cc[nH+]cc4)CC3)C2)no1 ZINC001256855571 1315999739 /nfs/dbraw/zinc/99/97/39/1315999739.db2.gz PELZSISFOLDUJU-OAHLLOKOSA-N 1 3 327.432 2.621 20 0 EFADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907817 1316008377 /nfs/dbraw/zinc/00/83/77/1316008377.db2.gz JAHDHRTZHNRMTL-ZWKOTPCHSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(C1CCCC1)N1CC[C@@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907817 1316008379 /nfs/dbraw/zinc/00/83/79/1316008379.db2.gz JAHDHRTZHNRMTL-ZWKOTPCHSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001039899278 1316010883 /nfs/dbraw/zinc/01/08/83/1316010883.db2.gz XOAPIZWIWYHCBA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001039899278 1316010885 /nfs/dbraw/zinc/01/08/85/1316010885.db2.gz XOAPIZWIWYHCBA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913801 1316015468 /nfs/dbraw/zinc/01/54/68/1316015468.db2.gz DSPIBMXGDYVDER-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913801 1316015470 /nfs/dbraw/zinc/01/54/70/1316015470.db2.gz DSPIBMXGDYVDER-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914216 1316016010 /nfs/dbraw/zinc/01/60/10/1316016010.db2.gz JKXYAGHFLAVCQR-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914216 1316016013 /nfs/dbraw/zinc/01/60/13/1316016013.db2.gz JKXYAGHFLAVCQR-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001257035516 1316023501 /nfs/dbraw/zinc/02/35/01/1316023501.db2.gz DJUIASZYDDSAAH-RTBURBONSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001257041087 1316023958 /nfs/dbraw/zinc/02/39/58/1316023958.db2.gz RDPIINPLBDFQHH-RBUKOAKNSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001257041084 1316024116 /nfs/dbraw/zinc/02/41/16/1316024116.db2.gz RDPIINPLBDFQHH-MOPGFXCFSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001257057689 1316027018 /nfs/dbraw/zinc/02/70/18/1316027018.db2.gz FAKSIHIFBNZENQ-RHSMWYFYSA-N 1 3 326.456 2.617 20 0 EFADHO CC(C)[NH+]1CCC(NC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC001257211107 1316046626 /nfs/dbraw/zinc/04/66/26/1316046626.db2.gz BTFAAPOOBJBZPI-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 ZINC001257213219 1316047198 /nfs/dbraw/zinc/04/71/98/1316047198.db2.gz IBSVZBRXNNNTBL-KBAYOESNSA-N 1 3 349.519 2.870 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001040006013 1316052143 /nfs/dbraw/zinc/05/21/43/1316052143.db2.gz OIOGRPQTZBPDRW-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001040006013 1316052146 /nfs/dbraw/zinc/05/21/46/1316052146.db2.gz OIOGRPQTZBPDRW-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCCCC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257510156 1316071354 /nfs/dbraw/zinc/07/13/54/1316071354.db2.gz BKTAAYFGWWLYOA-QGZVFWFLSA-N 1 3 333.520 2.779 20 0 EFADHO CCCCC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257510156 1316071357 /nfs/dbraw/zinc/07/13/57/1316071357.db2.gz BKTAAYFGWWLYOA-QGZVFWFLSA-N 1 3 333.520 2.779 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCN2C)CCN1C(=O)OC(C)(C)C ZINC001257645890 1316081862 /nfs/dbraw/zinc/08/18/62/1316081862.db2.gz ZHWJAVABJCFMBK-JYJNAYRXSA-N 1 3 325.497 2.848 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC23CCN([C@@H]2CCCSC2)CC3)n1 ZINC001257676042 1316085509 /nfs/dbraw/zinc/08/55/09/1316085509.db2.gz RPWWSSRZMUCUSK-QGZVFWFLSA-N 1 3 334.533 2.746 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC23CCN([C@@H]2CCCSC2)CC3)n1 ZINC001257676042 1316085511 /nfs/dbraw/zinc/08/55/11/1316085511.db2.gz RPWWSSRZMUCUSK-QGZVFWFLSA-N 1 3 334.533 2.746 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040115000 1316102572 /nfs/dbraw/zinc/10/25/72/1316102572.db2.gz MOQHNLTVIRUQRL-PKOBYXMFSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040115000 1316102576 /nfs/dbraw/zinc/10/25/76/1316102576.db2.gz MOQHNLTVIRUQRL-PKOBYXMFSA-N 1 3 347.528 2.657 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@@H]2C[NH2+]C1CCN(CC(C)C)CC1 ZINC001258007459 1316109330 /nfs/dbraw/zinc/10/93/30/1316109330.db2.gz YAGDMRJTRPIEPI-OAHLLOKOSA-N 1 3 345.487 2.831 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@@H]2CNC1CC[NH+](CC(C)C)CC1 ZINC001258007459 1316109332 /nfs/dbraw/zinc/10/93/32/1316109332.db2.gz YAGDMRJTRPIEPI-OAHLLOKOSA-N 1 3 345.487 2.831 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(c3cccnc3)CCOCC2)CC1 ZINC001258007804 1316109344 /nfs/dbraw/zinc/10/93/44/1316109344.db2.gz TZSCILJFDYNQRV-UHFFFAOYSA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001258009054 1316109584 /nfs/dbraw/zinc/10/95/84/1316109584.db2.gz ORLWHKVCXTUDJS-KRWDZBQOSA-N 1 3 326.431 2.578 20 0 EFADHO CC(=O)N1CCCCC12CC[NH+](C1CCN(CC(C)C)CC1)CC2 ZINC001258014611 1316110891 /nfs/dbraw/zinc/11/08/91/1316110891.db2.gz OTQSXBXMEGUDAZ-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO c1ccc(CC[NH+]2CCC(N3CCN4CCCC[C@H]4C3)CC2)cc1 ZINC001258142811 1316124582 /nfs/dbraw/zinc/12/45/82/1316124582.db2.gz BPPKBLPGRMKPSG-NRFANRHFSA-N 1 3 327.516 2.864 20 0 EFADHO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001258176188 1316127844 /nfs/dbraw/zinc/12/78/44/1316127844.db2.gz LWEZUZLZFWATQL-KRWDZBQOSA-N 1 3 327.472 2.748 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCSC)C2 ZINC001258215373 1316131952 /nfs/dbraw/zinc/13/19/52/1316131952.db2.gz ADPJJKPTKZXGBC-KBAYOESNSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCSC)C2 ZINC001258215373 1316131954 /nfs/dbraw/zinc/13/19/54/1316131954.db2.gz ADPJJKPTKZXGBC-KBAYOESNSA-N 1 3 326.550 2.808 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCCCCCC3)CC[C@@H]21 ZINC001258243426 1316134981 /nfs/dbraw/zinc/13/49/81/1316134981.db2.gz QVIMABBQSXLZHF-NEWSRXKRSA-N 1 3 331.508 2.786 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCCCCCC3)CC[C@@H]21 ZINC001258243426 1316134982 /nfs/dbraw/zinc/13/49/82/1316134982.db2.gz QVIMABBQSXLZHF-NEWSRXKRSA-N 1 3 331.508 2.786 20 0 EFADHO CSC(C)(C)C[C@H](C)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001258343853 1316141241 /nfs/dbraw/zinc/14/12/41/1316141241.db2.gz FGGBOQJUTOTTNG-AWEZNQCLSA-N 1 3 341.565 2.568 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)N1CCCCC1 ZINC001040206900 1316143469 /nfs/dbraw/zinc/14/34/69/1316143469.db2.gz AQCIYUZASJCMNZ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC001040206900 1316143471 /nfs/dbraw/zinc/14/34/71/1316143471.db2.gz AQCIYUZASJCMNZ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO COc1ccc(CC[C@H](C)[NH2+]CCN2CCN(C(C)C)CC2)cc1 ZINC001258390344 1316147419 /nfs/dbraw/zinc/14/74/19/1316147419.db2.gz LZEYYNVNKMNWDW-SFHVURJKSA-N 1 3 333.520 2.632 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398286 1316148632 /nfs/dbraw/zinc/14/86/32/1316148632.db2.gz RMHSQICWBHAAME-INIZCTEOSA-N 1 3 348.487 2.763 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398286 1316148634 /nfs/dbraw/zinc/14/86/34/1316148634.db2.gz RMHSQICWBHAAME-INIZCTEOSA-N 1 3 348.487 2.763 20 0 EFADHO COc1ccc(CC[C@H](C)N2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001258408690 1316148969 /nfs/dbraw/zinc/14/89/69/1316148969.db2.gz LEHUMLNHNLAHBN-SFHVURJKSA-N 1 3 333.520 2.586 20 0 EFADHO C[C@H](CC1CC1)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258447772 1316151107 /nfs/dbraw/zinc/15/11/07/1316151107.db2.gz XIXQAPKJZSLHIF-APWZRJJASA-N 1 3 343.515 2.580 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236759 1316158083 /nfs/dbraw/zinc/15/80/83/1316158083.db2.gz PAZWCKDZVSHAMC-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236759 1316158086 /nfs/dbraw/zinc/15/80/86/1316158086.db2.gz PAZWCKDZVSHAMC-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)C1CCC1 ZINC001040240457 1316159986 /nfs/dbraw/zinc/15/99/86/1316159986.db2.gz GNOWIVJQESRUEM-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)C1CCC1 ZINC001040240457 1316159988 /nfs/dbraw/zinc/15/99/88/1316159988.db2.gz GNOWIVJQESRUEM-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC001040241377 1316161360 /nfs/dbraw/zinc/16/13/60/1316161360.db2.gz NRWANCCIPNDTHJ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CCC1 ZINC001040241377 1316161363 /nfs/dbraw/zinc/16/13/63/1316161363.db2.gz NRWANCCIPNDTHJ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC001040241378 1316161620 /nfs/dbraw/zinc/16/16/20/1316161620.db2.gz NRWANCCIPNDTHJ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CCC1 ZINC001040241378 1316161621 /nfs/dbraw/zinc/16/16/21/1316161621.db2.gz NRWANCCIPNDTHJ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241893 1316161953 /nfs/dbraw/zinc/16/19/53/1316161953.db2.gz VGJQMXDZLVELIZ-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241893 1316161955 /nfs/dbraw/zinc/16/19/55/1316161955.db2.gz VGJQMXDZLVELIZ-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250150 1316165525 /nfs/dbraw/zinc/16/55/25/1316165525.db2.gz LSWABROGBDWDKN-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250150 1316165527 /nfs/dbraw/zinc/16/55/27/1316165527.db2.gz LSWABROGBDWDKN-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251441 1316166020 /nfs/dbraw/zinc/16/60/20/1316166020.db2.gz YOSSVMBWVJWIAB-ICSRJNTNSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040251441 1316166022 /nfs/dbraw/zinc/16/60/22/1316166022.db2.gz YOSSVMBWVJWIAB-ICSRJNTNSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2)N(C)C ZINC001040263089 1316173027 /nfs/dbraw/zinc/17/30/27/1316173027.db2.gz XQJJHKLQPKHEJX-MJGOQNOKSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2)N(C)C ZINC001040263089 1316173029 /nfs/dbraw/zinc/17/30/29/1316173029.db2.gz XQJJHKLQPKHEJX-MJGOQNOKSA-N 1 3 349.544 2.903 20 0 EFADHO CCN(CCC[NH+](C)C)[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258878683 1316187635 /nfs/dbraw/zinc/18/76/35/1316187635.db2.gz XMPGBAPQPMAEGP-OAHLLOKOSA-N 1 3 338.492 2.917 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001040422789 1316256030 /nfs/dbraw/zinc/25/60/30/1316256030.db2.gz OYBORHRUUAPWLR-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001040422789 1316256033 /nfs/dbraw/zinc/25/60/33/1316256033.db2.gz OYBORHRUUAPWLR-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423343 1316256184 /nfs/dbraw/zinc/25/61/84/1316256184.db2.gz SCXWPWBRRWSEPZ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423343 1316256187 /nfs/dbraw/zinc/25/61/87/1316256187.db2.gz SCXWPWBRRWSEPZ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040430833 1316260908 /nfs/dbraw/zinc/26/09/08/1316260908.db2.gz CYMBAFQBZCAZRY-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040430833 1316260911 /nfs/dbraw/zinc/26/09/11/1316260911.db2.gz CYMBAFQBZCAZRY-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040532348 1316311411 /nfs/dbraw/zinc/31/14/11/1316311411.db2.gz WKPNNKOQKHQDKA-IBGZPJMESA-N 1 3 347.528 2.658 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040532348 1316311415 /nfs/dbraw/zinc/31/14/15/1316311415.db2.gz WKPNNKOQKHQDKA-IBGZPJMESA-N 1 3 347.528 2.658 20 0 EFADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040542011 1316314736 /nfs/dbraw/zinc/31/47/36/1316314736.db2.gz FCRSUXMUMNCOLD-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040542011 1316314739 /nfs/dbraw/zinc/31/47/39/1316314739.db2.gz FCRSUXMUMNCOLD-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040541476 1316314815 /nfs/dbraw/zinc/31/48/15/1316314815.db2.gz AOQJKEYNCKLZIK-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040541476 1316314817 /nfs/dbraw/zinc/31/48/17/1316314817.db2.gz AOQJKEYNCKLZIK-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040544792 1316315269 /nfs/dbraw/zinc/31/52/69/1316315269.db2.gz JLQDICMMVHYMAB-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001040544792 1316315271 /nfs/dbraw/zinc/31/52/71/1316315271.db2.gz JLQDICMMVHYMAB-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040545818 1316317161 /nfs/dbraw/zinc/31/71/61/1316317161.db2.gz VDJUCFQBQAKWQP-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040545818 1316317164 /nfs/dbraw/zinc/31/71/64/1316317164.db2.gz VDJUCFQBQAKWQP-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC(F)(F)F)CC2)N(C)C ZINC001040745026 1316365072 /nfs/dbraw/zinc/36/50/72/1316365072.db2.gz GPFWIECDUAQFES-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001072297275 1316373586 /nfs/dbraw/zinc/37/35/86/1316373586.db2.gz HXCCMOVDKMCISD-RDJZCZTQSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849728 1316388853 /nfs/dbraw/zinc/38/88/53/1316388853.db2.gz VMHLLEBQGVSGIX-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875086 1316394634 /nfs/dbraw/zinc/39/46/34/1316394634.db2.gz RCAKTURFMCIJBE-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(C2)CC[NH+](CCC2CC2)CC3)CC1 ZINC001040893998 1316399287 /nfs/dbraw/zinc/39/92/87/1316399287.db2.gz FXIIYMHEJYMWAM-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040948685 1316409309 /nfs/dbraw/zinc/40/93/09/1316409309.db2.gz XATZIIWKSKVPFP-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734595 1316409951 /nfs/dbraw/zinc/40/99/51/1316409951.db2.gz KXZJXRRZQPFSNB-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734595 1316409953 /nfs/dbraw/zinc/40/99/53/1316409953.db2.gz KXZJXRRZQPFSNB-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)c1 ZINC001073016398 1316430609 /nfs/dbraw/zinc/43/06/09/1316430609.db2.gz XAGFYXBGYNBIME-INIZCTEOSA-N 1 3 338.455 2.556 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)c1 ZINC001073016398 1316430611 /nfs/dbraw/zinc/43/06/11/1316430611.db2.gz XAGFYXBGYNBIME-INIZCTEOSA-N 1 3 338.455 2.556 20 0 EFADHO COCCC[NH+]1CCC(Nc2ccnc3ccc(OC)cc32)CC1 ZINC001262358083 1316463603 /nfs/dbraw/zinc/46/36/03/1316463603.db2.gz HGTVSABDYZVRLT-UHFFFAOYSA-N 1 3 329.444 2.578 20 0 EFADHO C[C@H](CCNCCC(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001262565323 1316472361 /nfs/dbraw/zinc/47/23/61/1316472361.db2.gz IWHKNTWQXUVKHO-GFCCVEGCSA-N 1 3 331.382 2.964 20 0 EFADHO C[C@H](CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)N(C)C ZINC001262565323 1316472364 /nfs/dbraw/zinc/47/23/64/1316472364.db2.gz IWHKNTWQXUVKHO-GFCCVEGCSA-N 1 3 331.382 2.964 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001073970742 1316485391 /nfs/dbraw/zinc/48/53/91/1316485391.db2.gz XMCKCAPOZJONPY-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001073970742 1316485394 /nfs/dbraw/zinc/48/53/94/1316485394.db2.gz XMCKCAPOZJONPY-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001041288517 1316504288 /nfs/dbraw/zinc/50/42/88/1316504288.db2.gz XJHHSTYLZGYCDB-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001041288517 1316504291 /nfs/dbraw/zinc/50/42/91/1316504291.db2.gz XJHHSTYLZGYCDB-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)CC[N@@H+]1C ZINC001041302113 1316506991 /nfs/dbraw/zinc/50/69/91/1316506991.db2.gz UBOQCKZIRBRPSJ-SZVBFZGTSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)CC[N@H+]1C ZINC001041302113 1316506994 /nfs/dbraw/zinc/50/69/94/1316506994.db2.gz UBOQCKZIRBRPSJ-SZVBFZGTSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565121 1316525431 /nfs/dbraw/zinc/52/54/31/1316525431.db2.gz UFVRKEBMSGDBCA-YSSFQJQWSA-N 1 3 341.499 2.737 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074564867 1316525460 /nfs/dbraw/zinc/52/54/60/1316525460.db2.gz IAAUDYRYHLVXLD-FFZOFVMBSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565108 1316525504 /nfs/dbraw/zinc/52/55/04/1316525504.db2.gz TZDDJCGDYNYZSE-RYGJVYDSSA-N 1 3 341.499 2.737 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356721 1316526457 /nfs/dbraw/zinc/52/64/57/1316526457.db2.gz BJUZYNALXXARHC-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356721 1316526460 /nfs/dbraw/zinc/52/64/60/1316526460.db2.gz BJUZYNALXXARHC-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1cccc(F)c1 ZINC001074687018 1316530319 /nfs/dbraw/zinc/53/03/19/1316530319.db2.gz JSJBVIOFCWVEKA-VCBZYWHSSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041377368 1316531829 /nfs/dbraw/zinc/53/18/29/1316531829.db2.gz BCIMRQOMDCNRBS-GHTZIAJQSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041377368 1316531831 /nfs/dbraw/zinc/53/18/31/1316531831.db2.gz BCIMRQOMDCNRBS-GHTZIAJQSA-N 1 3 349.563 2.933 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001074878362 1316538996 /nfs/dbraw/zinc/53/89/96/1316538996.db2.gz PHUXVIZAIIHUOF-UWVAXJGDSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001074878363 1316539127 /nfs/dbraw/zinc/53/91/27/1316539127.db2.gz PHUXVIZAIIHUOF-ZWOKBUDYSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)cc1F ZINC001074878331 1316539369 /nfs/dbraw/zinc/53/93/69/1316539369.db2.gz NTJSRDVFNIFSJO-ALKREAHSSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)[C@@H]2C)C1 ZINC001074878341 1316539503 /nfs/dbraw/zinc/53/95/03/1316539503.db2.gz OJRIZGYEANPIHK-MPGHIAIKSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)[C@@H]2C)C1 ZINC001074878341 1316539504 /nfs/dbraw/zinc/53/95/04/1316539504.db2.gz OJRIZGYEANPIHK-MPGHIAIKSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC4(CC4)CC3)[C@@H]2C)C1 ZINC001074878480 1316539513 /nfs/dbraw/zinc/53/95/13/1316539513.db2.gz ZBALYYURCZJVOF-LNLFQRSKSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041403003 1316541584 /nfs/dbraw/zinc/54/15/84/1316541584.db2.gz MGTCYAKIZBHRKN-MJGOQNOKSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041403003 1316541586 /nfs/dbraw/zinc/54/15/86/1316541586.db2.gz MGTCYAKIZBHRKN-MJGOQNOKSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041404470 1316541825 /nfs/dbraw/zinc/54/18/25/1316541825.db2.gz UBKVIVQBILICBT-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041404470 1316541827 /nfs/dbraw/zinc/54/18/27/1316541827.db2.gz UBKVIVQBILICBT-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1Cl ZINC001491567834 1316560195 /nfs/dbraw/zinc/56/01/95/1316560195.db2.gz HXVWXNYGELYBAX-KBPBESRZSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1)[NH+]1CCCC1 ZINC001041536538 1316580652 /nfs/dbraw/zinc/58/06/52/1316580652.db2.gz PEMKHRNFSFGGSB-MTIYJEKLSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041674392 1316644139 /nfs/dbraw/zinc/64/41/39/1316644139.db2.gz JJIPHTJORQLVQJ-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041674392 1316644141 /nfs/dbraw/zinc/64/41/41/1316644141.db2.gz JJIPHTJORQLVQJ-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674796 1316644491 /nfs/dbraw/zinc/64/44/91/1316644491.db2.gz KXOMKGVMCPOUOB-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001041674796 1316644493 /nfs/dbraw/zinc/64/44/93/1316644493.db2.gz KXOMKGVMCPOUOB-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC001041674855 1316644653 /nfs/dbraw/zinc/64/46/53/1316644653.db2.gz LVCRNVBKSFVWPH-LPHOPBHVSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001041674855 1316644657 /nfs/dbraw/zinc/64/46/57/1316644657.db2.gz LVCRNVBKSFVWPH-LPHOPBHVSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678156 1316645867 /nfs/dbraw/zinc/64/58/67/1316645867.db2.gz GRPAUYIBIWKSGH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678156 1316645870 /nfs/dbraw/zinc/64/58/70/1316645870.db2.gz GRPAUYIBIWKSGH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678152 1316646040 /nfs/dbraw/zinc/64/60/40/1316646040.db2.gz GRPAUYIBIWKSGH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678152 1316646041 /nfs/dbraw/zinc/64/60/41/1316646041.db2.gz GRPAUYIBIWKSGH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680176 1316646830 /nfs/dbraw/zinc/64/68/30/1316646830.db2.gz PQUCSIQZFYUPSX-RTBURBONSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680176 1316646832 /nfs/dbraw/zinc/64/68/32/1316646832.db2.gz PQUCSIQZFYUPSX-RTBURBONSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041686000 1316647920 /nfs/dbraw/zinc/64/79/20/1316647920.db2.gz KIOHJSZMMUHAHM-PKOBYXMFSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041686000 1316647923 /nfs/dbraw/zinc/64/79/23/1316647923.db2.gz KIOHJSZMMUHAHM-PKOBYXMFSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041687867 1316648512 /nfs/dbraw/zinc/64/85/12/1316648512.db2.gz SKXNEDNLHRHVMN-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041687867 1316648516 /nfs/dbraw/zinc/64/85/16/1316648516.db2.gz SKXNEDNLHRHVMN-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041689056 1316648721 /nfs/dbraw/zinc/64/87/21/1316648721.db2.gz ZXNYCOUHWXCQNR-WMZOPIPTSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041689056 1316648723 /nfs/dbraw/zinc/64/87/23/1316648723.db2.gz ZXNYCOUHWXCQNR-WMZOPIPTSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041723216 1316666037 /nfs/dbraw/zinc/66/60/37/1316666037.db2.gz FLDIWXRPOHPIIH-ICSRJNTNSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041723216 1316666038 /nfs/dbraw/zinc/66/60/38/1316666038.db2.gz FLDIWXRPOHPIIH-ICSRJNTNSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723561 1316666721 /nfs/dbraw/zinc/66/67/21/1316666721.db2.gz IWLRYBOBDGDMIR-AZUAARDMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723561 1316666724 /nfs/dbraw/zinc/66/67/24/1316666724.db2.gz IWLRYBOBDGDMIR-AZUAARDMSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724510 1316667144 /nfs/dbraw/zinc/66/71/44/1316667144.db2.gz ZLGDGOVIJUENPC-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041724510 1316667149 /nfs/dbraw/zinc/66/71/49/1316667149.db2.gz ZLGDGOVIJUENPC-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757521 1316683494 /nfs/dbraw/zinc/68/34/94/1316683494.db2.gz XVBNLFFFCNQNAQ-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757521 1316683496 /nfs/dbraw/zinc/68/34/96/1316683496.db2.gz XVBNLFFFCNQNAQ-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844156 1316729896 /nfs/dbraw/zinc/72/98/96/1316729896.db2.gz DVWFLBLGIPWGSB-HXUWFJFHSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844156 1316729898 /nfs/dbraw/zinc/72/98/98/1316729898.db2.gz DVWFLBLGIPWGSB-HXUWFJFHSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1)N1CCCCC1 ZINC001042061914 1316851548 /nfs/dbraw/zinc/85/15/48/1316851548.db2.gz JFLGGAUFMZUIOM-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1)N1CCCCC1 ZINC001042061914 1316851550 /nfs/dbraw/zinc/85/15/50/1316851550.db2.gz JFLGGAUFMZUIOM-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001042062547 1316852610 /nfs/dbraw/zinc/85/26/10/1316852610.db2.gz MTSYJTABAXDZRZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001042062547 1316852612 /nfs/dbraw/zinc/85/26/12/1316852612.db2.gz MTSYJTABAXDZRZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042062523 1316852739 /nfs/dbraw/zinc/85/27/39/1316852739.db2.gz MPTDSDSGZQBOLN-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042062523 1316852741 /nfs/dbraw/zinc/85/27/41/1316852741.db2.gz MPTDSDSGZQBOLN-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063207 1316853272 /nfs/dbraw/zinc/85/32/72/1316853272.db2.gz SCQHEKISKXZLHQ-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063207 1316853274 /nfs/dbraw/zinc/85/32/74/1316853274.db2.gz SCQHEKISKXZLHQ-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCC1 ZINC001042186202 1316940141 /nfs/dbraw/zinc/94/01/41/1316940141.db2.gz FBCPBCHWPVARAB-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCC1 ZINC001042186202 1316940143 /nfs/dbraw/zinc/94/01/43/1316940143.db2.gz FBCPBCHWPVARAB-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042314003 1317137203 /nfs/dbraw/zinc/13/72/03/1317137203.db2.gz LTKYAYOPRNRDBA-CVEARBPZSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001042314003 1317137205 /nfs/dbraw/zinc/13/72/05/1317137205.db2.gz LTKYAYOPRNRDBA-CVEARBPZSA-N 1 3 332.492 2.656 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@H+](CC4CC4)[C@H]3C2)c1 ZINC001042365387 1317217812 /nfs/dbraw/zinc/21/78/12/1317217812.db2.gz NLFNOWFGIDSXKB-QUCCMNQESA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](CC4CC4)[C@H]3C2)c1 ZINC001042365387 1317217820 /nfs/dbraw/zinc/21/78/20/1317217820.db2.gz NLFNOWFGIDSXKB-QUCCMNQESA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042366757 1317221260 /nfs/dbraw/zinc/22/12/60/1317221260.db2.gz XTWPPLOJPQLYBP-QUCCMNQESA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042366757 1317221268 /nfs/dbraw/zinc/22/12/68/1317221268.db2.gz XTWPPLOJPQLYBP-QUCCMNQESA-N 1 3 343.515 2.941 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042367682 1317222766 /nfs/dbraw/zinc/22/27/66/1317222766.db2.gz KDZJZWIAURTDKA-QFBILLFUSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042367682 1317222770 /nfs/dbraw/zinc/22/27/70/1317222770.db2.gz KDZJZWIAURTDKA-QFBILLFUSA-N 1 3 329.488 2.695 20 0 EFADHO CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001280394188 1317541745 /nfs/dbraw/zinc/54/17/45/1317541745.db2.gz DFEBXFJCUUNHCT-DVBCCOPCSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC001319767590 1328982239 /nfs/dbraw/zinc/98/22/39/1328982239.db2.gz NWHNCKNVHGIHJW-CHWSQXEVSA-N 1 3 343.393 2.508 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C ZINC001319767590 1328982243 /nfs/dbraw/zinc/98/22/43/1328982243.db2.gz NWHNCKNVHGIHJW-CHWSQXEVSA-N 1 3 343.393 2.508 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCc1ccccc1 ZINC001491681665 1323786451 /nfs/dbraw/zinc/78/64/51/1323786451.db2.gz FSRORXHIMYYRPB-KRWDZBQOSA-N 1 3 339.483 2.699 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001491834307 1323928672 /nfs/dbraw/zinc/92/86/72/1323928672.db2.gz DICOLHNFSRVCBJ-KRWDZBQOSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001491850203 1323946034 /nfs/dbraw/zinc/94/60/34/1323946034.db2.gz RJBJTTIJRSCGOL-IBGZPJMESA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001491893664 1324003897 /nfs/dbraw/zinc/00/38/97/1324003897.db2.gz GLUSHPRIKMGGGL-UYEGUDHTSA-N 1 3 336.307 2.664 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001491932061 1324046736 /nfs/dbraw/zinc/04/67/36/1324046736.db2.gz FOENBYIULMYCPY-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001491932061 1324046742 /nfs/dbraw/zinc/04/67/42/1324046742.db2.gz FOENBYIULMYCPY-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001492034194 1324193661 /nfs/dbraw/zinc/19/36/61/1324193661.db2.gz DLIHQDHMMJFBEY-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001492114502 1324218673 /nfs/dbraw/zinc/21/86/73/1324218673.db2.gz GZNWOBRCQWBSJG-CABCVRRESA-N 1 3 328.460 2.815 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001492115718 1324220027 /nfs/dbraw/zinc/22/00/27/1324220027.db2.gz XXBJYGNARGOHTE-GFCCVEGCSA-N 1 3 342.434 2.571 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1)N(C)C ZINC001322796824 1329488928 /nfs/dbraw/zinc/48/89/28/1329488928.db2.gz RFEQBWFAUPIWDG-DAWZGUTISA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCCc1ccccc1)N(C)C ZINC001324180559 1329605805 /nfs/dbraw/zinc/60/58/05/1329605805.db2.gz KTDJNPDARQGZIJ-RBUKOAKNSA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001326306595 1329745989 /nfs/dbraw/zinc/74/59/89/1329745989.db2.gz XREQDQFOSVLWEC-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001326773467 1330362497 /nfs/dbraw/zinc/36/24/97/1330362497.db2.gz DOFFHDYDYYFUSP-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)n1c2ccccc2nc1C[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC001414077232 1330744294 /nfs/dbraw/zinc/74/42/94/1330744294.db2.gz BCGOPNLCXINSCW-KRWDZBQOSA-N 1 3 343.519 2.590 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC001334174162 1331260280 /nfs/dbraw/zinc/26/02/80/1331260280.db2.gz VCVJWYMTMFHYCY-MAUKXSAKSA-N 1 3 334.508 2.524 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395256 1331342300 /nfs/dbraw/zinc/34/23/00/1331342300.db2.gz SASVSZOOPIDWSQ-ZDUSSCGKSA-N 1 3 343.393 2.965 20 0 EFADHO CC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395256 1331342304 /nfs/dbraw/zinc/34/23/04/1331342304.db2.gz SASVSZOOPIDWSQ-ZDUSSCGKSA-N 1 3 343.393 2.965 20 0 EFADHO CCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395256 1331342307 /nfs/dbraw/zinc/34/23/07/1331342307.db2.gz SASVSZOOPIDWSQ-ZDUSSCGKSA-N 1 3 343.393 2.965 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001336764157 1331500507 /nfs/dbraw/zinc/50/05/07/1331500507.db2.gz VGMLBALELAMVCW-DAYGRLMNSA-N 1 3 340.895 2.852 20 0 EFADHO CN(C[C@H]1CCN1Cc1ccccc1C1CC1)C(=O)CCC[NH+](C)C ZINC001479240261 1332314226 /nfs/dbraw/zinc/31/42/26/1332314226.db2.gz DNTQBCGEVBCFSR-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCC[NH3+] ZINC001345781307 1332572759 /nfs/dbraw/zinc/57/27/59/1332572759.db2.gz QPTIMTLOLKRGKS-GOSISDBHSA-N 1 3 346.519 2.812 20 0 EFADHO CCCCCCN(C)CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001351095371 1333179843 /nfs/dbraw/zinc/17/98/43/1333179843.db2.gz RAMDBBPTLTYZEO-UHFFFAOYSA-N 1 3 332.492 2.679 20 0 EFADHO C[N@H+](CCCF)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480076315 1333228162 /nfs/dbraw/zinc/22/81/62/1333228162.db2.gz AVNQVHBZQOUYID-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO C[N@@H+](CCCF)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480076315 1333228168 /nfs/dbraw/zinc/22/81/68/1333228168.db2.gz AVNQVHBZQOUYID-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CCCC4)C3)CC2)CC1 ZINC000847536099 1333861150 /nfs/dbraw/zinc/86/11/50/1333861150.db2.gz UWJFBLGKRBIVHR-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001100442338 1334119143 /nfs/dbraw/zinc/11/91/43/1334119143.db2.gz BVSKQNOWVVDKFN-XUJQIHCRSA-N 1 3 331.504 2.574 20 0 EFADHO C[C@@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001100638272 1334460838 /nfs/dbraw/zinc/46/08/38/1334460838.db2.gz DUWBRJSWEKVULD-WLYUNCDWSA-N 1 3 337.895 2.837 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001100647373 1334482364 /nfs/dbraw/zinc/48/23/64/1334482364.db2.gz RBKHJDMRWOTASF-BDVYOWHSSA-N 1 3 337.533 2.627 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100676413 1334550752 /nfs/dbraw/zinc/55/07/52/1334550752.db2.gz NKUDSMLVPGHANV-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100677187 1334553973 /nfs/dbraw/zinc/55/39/73/1334553973.db2.gz ZTVYBTLCEOMNTH-VXESANQCSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001100678684 1334556455 /nfs/dbraw/zinc/55/64/55/1334556455.db2.gz TUNDPEQAHBQFRE-VMEOHVCESA-N 1 3 343.515 2.630 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](CC(C)(C)C)CC3=O)C[C@H]2C1 ZINC001356057905 1334943573 /nfs/dbraw/zinc/94/35/73/1334943573.db2.gz VLOUBEXGDYSNTN-BSDSXHPESA-N 1 3 335.536 2.891 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)N(C)C ZINC001356594740 1335059766 /nfs/dbraw/zinc/05/97/66/1335059766.db2.gz FRNDIDKFRWERLM-YPMHNXCESA-N 1 3 335.275 2.663 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc2ccccc2c1 ZINC000849055522 1335061195 /nfs/dbraw/zinc/06/11/95/1335061195.db2.gz HEHTUEOWEMQFBI-SFHVURJKSA-N 1 3 340.471 2.817 20 0 EFADHO [NH2+]=C(NCc1cccc(O)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000849059400 1335063737 /nfs/dbraw/zinc/06/37/37/1335063737.db2.gz MQEYDVSONLHUTR-UHFFFAOYSA-N 1 3 338.455 2.671 20 0 EFADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](C)N2CCCC2)c1 ZINC000849061906 1335063953 /nfs/dbraw/zinc/06/39/53/1335063953.db2.gz CEVNYKZIIUJZRR-CQSZACIVSA-N 1 3 334.464 2.905 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1C(F)(F)F ZINC000849063320 1335065690 /nfs/dbraw/zinc/06/56/90/1335065690.db2.gz GFPXHSVUGTUEGH-CQSZACIVSA-N 1 3 342.409 2.846 20 0 EFADHO CCCCOCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849066704 1335066855 /nfs/dbraw/zinc/06/68/55/1335066855.db2.gz MEBFHHUOULPOTR-UHFFFAOYSA-N 1 3 332.492 2.582 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(C)C)cc1 ZINC000849071297 1335069021 /nfs/dbraw/zinc/06/90/21/1335069021.db2.gz DZTSJTAZRGBSDX-QGZVFWFLSA-N 1 3 332.492 2.787 20 0 EFADHO C[C@H]1C[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849075364 1335070094 /nfs/dbraw/zinc/07/00/94/1335070094.db2.gz ZSJHAHLCBCRXLT-WMZOPIPTSA-N 1 3 344.503 2.580 20 0 EFADHO CO[C@@](C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000849085150 1335072693 /nfs/dbraw/zinc/07/26/93/1335072693.db2.gz AXRYTPJRGWZVGM-FQEVSTJZSA-N 1 3 344.503 2.580 20 0 EFADHO C[C@@H]1CCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849096729 1335075533 /nfs/dbraw/zinc/07/55/33/1335075533.db2.gz NUCGCRAAASIIDJ-GFCCVEGCSA-N 1 3 328.382 2.661 20 0 EFADHO CO[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000849096579 1335075768 /nfs/dbraw/zinc/07/57/68/1335075768.db2.gz WLWGCBDKQXZWBB-SFHVURJKSA-N 1 3 346.519 2.826 20 0 EFADHO F[C@H]1C[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CCN2C1 ZINC001414058875 1335550674 /nfs/dbraw/zinc/55/06/74/1335550674.db2.gz YQFBGMXKWVPCHS-PMACEKPBSA-N 1 3 331.479 2.901 20 0 EFADHO [NH2+]=C(NCC1CC(F)(F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000849102248 1335552272 /nfs/dbraw/zinc/55/22/72/1335552272.db2.gz BMKDWBMGSOPAHL-UHFFFAOYSA-N 1 3 336.430 2.810 20 0 EFADHO CCCCCCNC(=[NH2+])NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000849103916 1335552358 /nfs/dbraw/zinc/55/23/58/1335552358.db2.gz GETNHESHCQRCNO-LJQANCHMSA-N 1 3 346.519 2.972 20 0 EFADHO [NH2+]=C(NC[C@@H]1CCSC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849110307 1335553388 /nfs/dbraw/zinc/55/33/88/1335553388.db2.gz BJTYIVQKTSQXPK-INIZCTEOSA-N 1 3 332.517 2.518 20 0 EFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCc1ccccc1F ZINC000939810365 1335906256 /nfs/dbraw/zinc/90/62/56/1335906256.db2.gz MCZUPVJDVKIXIB-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001361439033 1336082668 /nfs/dbraw/zinc/08/26/68/1336082668.db2.gz SKDZNXRPCYINGI-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001361439033 1336082671 /nfs/dbraw/zinc/08/26/71/1336082671.db2.gz SKDZNXRPCYINGI-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001361518856 1336142075 /nfs/dbraw/zinc/14/20/75/1336142075.db2.gz AWJHONOXWMPUIE-VQTJNVASSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001361518856 1336142079 /nfs/dbraw/zinc/14/20/79/1336142079.db2.gz AWJHONOXWMPUIE-VQTJNVASSA-N 1 3 343.515 2.886 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001361604531 1336215047 /nfs/dbraw/zinc/21/50/47/1336215047.db2.gz OVHBNJJZCGVNOO-GOSISDBHSA-N 1 3 331.504 2.842 20 0 EFADHO CN(CC(=O)N(CCCc1ccccc1)CC[NH+](C)C)CC(C)(C)C ZINC001361685870 1336271771 /nfs/dbraw/zinc/27/17/71/1336271771.db2.gz FPNNZCZJYDDRGD-UHFFFAOYSA-N 1 3 347.547 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001362170469 1336536635 /nfs/dbraw/zinc/53/66/35/1336536635.db2.gz ZPILCLDOYFJLMH-MAUKXSAKSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001362170469 1336536638 /nfs/dbraw/zinc/53/66/38/1336536638.db2.gz ZPILCLDOYFJLMH-MAUKXSAKSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183405 1336542935 /nfs/dbraw/zinc/54/29/35/1336542935.db2.gz FVKDSXODLINEJH-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183405 1336542938 /nfs/dbraw/zinc/54/29/38/1336542938.db2.gz FVKDSXODLINEJH-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccs1)CC(C)(C)C ZINC001362210630 1336555130 /nfs/dbraw/zinc/55/51/30/1336555130.db2.gz YHPYSBNUXDOFPO-UHFFFAOYSA-N 1 3 325.522 2.616 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1 ZINC001362758753 1336730391 /nfs/dbraw/zinc/73/03/91/1336730391.db2.gz HVBGBRZJEKSFCU-YZGWKJHDSA-N 1 3 343.515 2.901 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001363313700 1336870486 /nfs/dbraw/zinc/87/04/86/1336870486.db2.gz CLFVHBMYQURCDG-MRXNPFEDSA-N 1 3 333.476 2.962 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001363313700 1336870490 /nfs/dbraw/zinc/87/04/90/1336870490.db2.gz CLFVHBMYQURCDG-MRXNPFEDSA-N 1 3 333.476 2.962 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@H+]1CCN(c2ccncc2)C[C@H]1C ZINC001363313700 1336870495 /nfs/dbraw/zinc/87/04/95/1336870495.db2.gz CLFVHBMYQURCDG-MRXNPFEDSA-N 1 3 333.476 2.962 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001440393111 1389588843 /nfs/dbraw/zinc/58/88/43/1389588843.db2.gz BAKLNNNVSZCKDL-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO C[NH+](C)Cc1cccc(CNCc2ccc(C(=O)NC3CC3)cc2)c1 ZINC001363864967 1337089910 /nfs/dbraw/zinc/08/99/10/1337089910.db2.gz XYIGETVAPPPCRN-UHFFFAOYSA-N 1 3 337.467 2.930 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC001363865527 1337090329 /nfs/dbraw/zinc/09/03/29/1337090329.db2.gz FVYDBRUDDBCODF-IBGZPJMESA-N 1 3 326.440 2.552 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC001363865527 1337090333 /nfs/dbraw/zinc/09/03/33/1337090333.db2.gz FVYDBRUDDBCODF-IBGZPJMESA-N 1 3 326.440 2.552 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC001365542720 1337230567 /nfs/dbraw/zinc/23/05/67/1337230567.db2.gz YVZYDFIUWPGASL-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC001365542720 1337230572 /nfs/dbraw/zinc/23/05/72/1337230572.db2.gz YVZYDFIUWPGASL-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001365824192 1337253163 /nfs/dbraw/zinc/25/31/63/1337253163.db2.gz CIGCENRGURMTOE-UKPHBRMFSA-N 1 3 337.895 2.665 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[N@H+](C)CCCF)C2)c1 ZINC001366068048 1337360936 /nfs/dbraw/zinc/36/09/36/1337360936.db2.gz JFWAJEWISWWNIB-GOSISDBHSA-N 1 3 349.494 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[N@@H+](C)CCCF)C2)c1 ZINC001366068048 1337360940 /nfs/dbraw/zinc/36/09/40/1337360940.db2.gz JFWAJEWISWWNIB-GOSISDBHSA-N 1 3 349.494 2.892 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCCC1 ZINC001366118325 1337386927 /nfs/dbraw/zinc/38/69/27/1337386927.db2.gz WAFYBQVYACRJLT-JOCQHMNTSA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)N(C)C ZINC001366120124 1337387125 /nfs/dbraw/zinc/38/71/25/1337387125.db2.gz VECXUUFQBJCEMO-AKBADGPISA-N 1 3 349.906 2.930 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366190744 1337429716 /nfs/dbraw/zinc/42/97/16/1337429716.db2.gz XNPDANJIXDUCCJ-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366190744 1337429718 /nfs/dbraw/zinc/42/97/18/1337429718.db2.gz XNPDANJIXDUCCJ-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001366246117 1337474953 /nfs/dbraw/zinc/47/49/53/1337474953.db2.gz FPFPOWXIYHLPQC-ACBHZAAOSA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001366288148 1337493089 /nfs/dbraw/zinc/49/30/89/1337493089.db2.gz OLCBBEWSOQDIFM-OLZOCXBDSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001366320580 1337510723 /nfs/dbraw/zinc/51/07/23/1337510723.db2.gz FNVHIFVMKSRFAP-DOTOQJQBSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1ccccc1F ZINC001366346951 1337526198 /nfs/dbraw/zinc/52/61/98/1337526198.db2.gz OWLMXPZTEYKHFT-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001366377656 1337548462 /nfs/dbraw/zinc/54/84/62/1337548462.db2.gz NROMFTGSBHCOOA-IMQXRCJOSA-N 1 3 347.890 2.638 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001366451177 1337598334 /nfs/dbraw/zinc/59/83/34/1337598334.db2.gz NSKINMKPPZNOMS-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001366451177 1337598335 /nfs/dbraw/zinc/59/83/35/1337598335.db2.gz NSKINMKPPZNOMS-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001366488697 1337629654 /nfs/dbraw/zinc/62/96/54/1337629654.db2.gz PFMLXTANSIHLKP-MAUKXSAKSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001366490554 1337631115 /nfs/dbraw/zinc/63/11/15/1337631115.db2.gz VWTLSLNFLHLBFE-PBHICJAKSA-N 1 3 339.911 2.973 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)c(C)c2)C1 ZINC001366554736 1337689270 /nfs/dbraw/zinc/68/92/70/1337689270.db2.gz HKIXPNUBUNAFRS-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)c(C)c2)C1 ZINC001366554736 1337689274 /nfs/dbraw/zinc/68/92/74/1337689274.db2.gz HKIXPNUBUNAFRS-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2cc(C)ccc2C)C1 ZINC001366554244 1337690025 /nfs/dbraw/zinc/69/00/25/1337690025.db2.gz BKKHIQVNGJWSCR-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2cc(C)ccc2C)C1 ZINC001366554244 1337690030 /nfs/dbraw/zinc/69/00/30/1337690030.db2.gz BKKHIQVNGJWSCR-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001366569770 1337705104 /nfs/dbraw/zinc/70/51/04/1337705104.db2.gz GVZRGYJZPAQBJI-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001366569770 1337705107 /nfs/dbraw/zinc/70/51/07/1337705107.db2.gz GVZRGYJZPAQBJI-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H](c1ccccc1)N(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001366577026 1337714526 /nfs/dbraw/zinc/71/45/26/1337714526.db2.gz CBMBYXPJUWNLRV-QGZVFWFLSA-N 1 3 343.515 2.918 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001366594863 1337731791 /nfs/dbraw/zinc/73/17/91/1337731791.db2.gz IOKWKAWNKCEQAP-UHFFFAOYSA-N 1 3 331.504 2.673 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(Cl)cc1 ZINC001366639857 1337785499 /nfs/dbraw/zinc/78/54/99/1337785499.db2.gz IDSPDDSJBOSRAL-KRWDZBQOSA-N 1 3 339.911 2.864 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C ZINC001366721230 1337920807 /nfs/dbraw/zinc/92/08/07/1337920807.db2.gz NGPPMMKECMHBBR-QGZVFWFLSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1C ZINC001366721230 1337920816 /nfs/dbraw/zinc/92/08/16/1337920816.db2.gz NGPPMMKECMHBBR-QGZVFWFLSA-N 1 3 331.504 2.665 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001366779405 1337997459 /nfs/dbraw/zinc/99/74/59/1337997459.db2.gz XBZKSEOZIFKDKM-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C/Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366789729 1338007885 /nfs/dbraw/zinc/00/78/85/1338007885.db2.gz GZRQPGNIWOWCDN-HJLAROGXSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001366808527 1338038570 /nfs/dbraw/zinc/03/85/70/1338038570.db2.gz FMZYTEANZDKZQP-OAHLLOKOSA-N 1 3 333.451 2.563 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](C/C=C\Cl)C1)CC(C)(C)C ZINC001366847740 1338112566 /nfs/dbraw/zinc/11/25/66/1338112566.db2.gz SGZFJLKVTHYWHG-KKTNHOPESA-N 1 3 329.916 2.545 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1)CC(C)(C)C ZINC001366847740 1338112569 /nfs/dbraw/zinc/11/25/69/1338112569.db2.gz SGZFJLKVTHYWHG-KKTNHOPESA-N 1 3 329.916 2.545 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366856796 1338123855 /nfs/dbraw/zinc/12/38/55/1338123855.db2.gz YEWQXOXTVGDLSC-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001366856796 1338123858 /nfs/dbraw/zinc/12/38/58/1338123858.db2.gz YEWQXOXTVGDLSC-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CN(CCF)CC1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001366877284 1338152821 /nfs/dbraw/zinc/15/28/21/1338152821.db2.gz WXOQXOIQTOGYPO-UHFFFAOYSA-N 1 3 349.494 2.544 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366890857 1338172130 /nfs/dbraw/zinc/17/21/30/1338172130.db2.gz QPYJXEMIAIMILL-FGTMMUONSA-N 1 3 325.541 2.835 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001366894478 1338177286 /nfs/dbraw/zinc/17/72/86/1338177286.db2.gz QHOKAONTLNDPDT-QGZVFWFLSA-N 1 3 349.544 2.747 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001366907018 1338192996 /nfs/dbraw/zinc/19/29/96/1338192996.db2.gz FJRZQABUXUMNQI-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366970207 1338229272 /nfs/dbraw/zinc/22/92/72/1338229272.db2.gz BXSAIPHCTJDPDD-MRXNPFEDSA-N 1 3 329.488 2.588 20 0 EFADHO CN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001367056199 1338324371 /nfs/dbraw/zinc/32/43/71/1338324371.db2.gz GEFVVSNWZPOJPA-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001367058813 1338328950 /nfs/dbraw/zinc/32/89/50/1338328950.db2.gz LDWLXUPYFSUFOF-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001367058813 1338328952 /nfs/dbraw/zinc/32/89/52/1338328952.db2.gz LDWLXUPYFSUFOF-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001367097373 1338383450 /nfs/dbraw/zinc/38/34/50/1338383450.db2.gz HOBYTNRSTCDRFH-INIZCTEOSA-N 1 3 343.471 2.902 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001367130081 1338419520 /nfs/dbraw/zinc/41/95/20/1338419520.db2.gz FHUCNXWVLHJWIU-CVEARBPZSA-N 1 3 325.884 2.665 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCc2c1cccc2F ZINC001367133147 1338424595 /nfs/dbraw/zinc/42/45/95/1338424595.db2.gz NXZDXWFTEZSCEH-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001367136629 1338428089 /nfs/dbraw/zinc/42/80/89/1338428089.db2.gz VENCJLMGBWUJSM-SJLPKXTDSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001367136640 1338428139 /nfs/dbraw/zinc/42/81/39/1338428139.db2.gz VENCJLMGBWUJSM-WMZOPIPTSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccccc1F ZINC001367147108 1338441927 /nfs/dbraw/zinc/44/19/27/1338441927.db2.gz CQGKFMFILJKDFY-KRWDZBQOSA-N 1 3 335.467 2.686 20 0 EFADHO CCC(CC)C[NH+]1CCC(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001367212612 1338522704 /nfs/dbraw/zinc/52/27/04/1338522704.db2.gz FRYCXZYTCUMSRB-UHFFFAOYSA-N 1 3 334.508 2.915 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001367243823 1338546618 /nfs/dbraw/zinc/54/66/18/1338546618.db2.gz LYZAMSNDIMDHGB-MRXNPFEDSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001367275217 1338575738 /nfs/dbraw/zinc/57/57/38/1338575738.db2.gz JUQCDAZPRRFOBO-HKUYNNGSSA-N 1 3 331.504 2.791 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccccn2)CCCC1)CC(C)(C)C ZINC001367324488 1338622199 /nfs/dbraw/zinc/62/21/99/1338622199.db2.gz RRPNJZDXRXKUDD-UHFFFAOYSA-N 1 3 346.519 2.578 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001367353235 1338650194 /nfs/dbraw/zinc/65/01/94/1338650194.db2.gz GQVBQGRIVNUTFP-RHSMWYFYSA-N 1 3 337.895 2.679 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367354885 1338651090 /nfs/dbraw/zinc/65/10/90/1338651090.db2.gz DETRTFVTTNHSDJ-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001367384029 1338679833 /nfs/dbraw/zinc/67/98/33/1338679833.db2.gz GVACTHPHDOAYCZ-INIZCTEOSA-N 1 3 342.487 2.787 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001367400909 1338698757 /nfs/dbraw/zinc/69/87/57/1338698757.db2.gz NWFJSDIKGFVDKZ-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001367438735 1338741253 /nfs/dbraw/zinc/74/12/53/1338741253.db2.gz MFTCDOWEDJYYCH-QZTJIDSGSA-N 1 3 325.541 2.883 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccn1 ZINC001367456358 1338758448 /nfs/dbraw/zinc/75/84/48/1338758448.db2.gz XZEPSQDPJOFDHX-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccn1 ZINC001367456358 1338758454 /nfs/dbraw/zinc/75/84/54/1338758454.db2.gz XZEPSQDPJOFDHX-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001367509253 1338807111 /nfs/dbraw/zinc/80/71/11/1338807111.db2.gz FVERLCQCADJHFP-QZTJIDSGSA-N 1 3 349.906 2.812 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001367509253 1338807113 /nfs/dbraw/zinc/80/71/13/1338807113.db2.gz FVERLCQCADJHFP-QZTJIDSGSA-N 1 3 349.906 2.812 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001367530281 1338831232 /nfs/dbraw/zinc/83/12/32/1338831232.db2.gz AOIPZDZSMGDVNG-MRXNPFEDSA-N 1 3 347.494 2.788 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001367530281 1338831235 /nfs/dbraw/zinc/83/12/35/1338831235.db2.gz AOIPZDZSMGDVNG-MRXNPFEDSA-N 1 3 347.494 2.788 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001367530792 1338832588 /nfs/dbraw/zinc/83/25/88/1338832588.db2.gz CBWMYGOABXFLLI-QGZVFWFLSA-N 1 3 339.911 2.816 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367534251 1338837368 /nfs/dbraw/zinc/83/73/68/1338837368.db2.gz KQZZPZRZRINAFK-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367534251 1338837370 /nfs/dbraw/zinc/83/73/70/1338837370.db2.gz KQZZPZRZRINAFK-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367534245 1338837678 /nfs/dbraw/zinc/83/76/78/1338837678.db2.gz KQZZPZRZRINAFK-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367534245 1338837681 /nfs/dbraw/zinc/83/76/81/1338837681.db2.gz KQZZPZRZRINAFK-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c(C)c1 ZINC001367538637 1338844079 /nfs/dbraw/zinc/84/40/79/1338844079.db2.gz SDMKZJWBZHFGBO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c(C)c1 ZINC001367538637 1338844083 /nfs/dbraw/zinc/84/40/83/1338844083.db2.gz SDMKZJWBZHFGBO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001367655306 1338908515 /nfs/dbraw/zinc/90/85/15/1338908515.db2.gz DWKKVDGYIKJVNL-WMLDXEAASA-N 1 3 337.895 2.933 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001367694941 1338934531 /nfs/dbraw/zinc/93/45/31/1338934531.db2.gz LLSQVEBQBXGIOH-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367699335 1338938928 /nfs/dbraw/zinc/93/89/28/1338938928.db2.gz YXKQFYXZLZZSMU-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001367699480 1338939208 /nfs/dbraw/zinc/93/92/08/1338939208.db2.gz ODQYDOPYGSUGCE-HSMVNMDESA-N 1 3 343.874 2.975 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001367739136 1338969037 /nfs/dbraw/zinc/96/90/37/1338969037.db2.gz IJTKYBZQNXGYBM-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO COc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001367760282 1338987675 /nfs/dbraw/zinc/98/76/75/1338987675.db2.gz OBWHCFABOUDOOA-INIZCTEOSA-N 1 3 349.519 2.576 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001367806475 1339024972 /nfs/dbraw/zinc/02/49/72/1339024972.db2.gz NXHWNNRSXBQWMZ-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001367806475 1339024974 /nfs/dbraw/zinc/02/49/74/1339024974.db2.gz NXHWNNRSXBQWMZ-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001367855855 1339071714 /nfs/dbraw/zinc/07/17/14/1339071714.db2.gz XETJNNDKLDRJBI-MJGOQNOKSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001367901094 1339095559 /nfs/dbraw/zinc/09/55/59/1339095559.db2.gz PGZJADATQMTLDY-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001367902535 1339096522 /nfs/dbraw/zinc/09/65/22/1339096522.db2.gz JNWJPUJINSRENJ-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001367906347 1339098886 /nfs/dbraw/zinc/09/88/86/1339098886.db2.gz AOWAKYTUIUKWJC-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@H](NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001367912597 1339102985 /nfs/dbraw/zinc/10/29/85/1339102985.db2.gz NXWPMJSUUFDVNH-LIRRHRJNSA-N 1 3 347.478 2.713 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)c1 ZINC001368020055 1339160927 /nfs/dbraw/zinc/16/09/27/1339160927.db2.gz OGKXAOXFNWCQGH-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO Cc1cccc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC001368039868 1339171008 /nfs/dbraw/zinc/17/10/08/1339171008.db2.gz CHBPZKMMZHSIIW-UHFFFAOYSA-N 1 3 329.488 2.609 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069361 1339185485 /nfs/dbraw/zinc/18/54/85/1339185485.db2.gz VAIAQCLZGPAZDB-PXNSSMCTSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069361 1339185488 /nfs/dbraw/zinc/18/54/88/1339185488.db2.gz VAIAQCLZGPAZDB-PXNSSMCTSA-N 1 3 346.519 2.949 20 0 EFADHO CC[NH2+]C[C@H](NC(=O)[C@H](CC)N(C)C)c1ccc2ccccc2c1 ZINC001368130839 1339208076 /nfs/dbraw/zinc/20/80/76/1339208076.db2.gz YYFCWAOJZXDHRR-OALUTQOASA-N 1 3 327.472 2.947 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001368170980 1339233812 /nfs/dbraw/zinc/23/38/12/1339233812.db2.gz HLWIDDOFWBTOAL-FQEVSTJZSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001368170980 1339233814 /nfs/dbraw/zinc/23/38/14/1339233814.db2.gz HLWIDDOFWBTOAL-FQEVSTJZSA-N 1 3 343.471 2.855 20 0 EFADHO Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001368193430 1339247195 /nfs/dbraw/zinc/24/71/95/1339247195.db2.gz DKTNKVLXXCGEOU-FPOVZHCZSA-N 1 3 345.531 2.909 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCC3)C2)c1 ZINC001368209805 1339257810 /nfs/dbraw/zinc/25/78/10/1339257810.db2.gz XQGVJGFJQOJPFL-NRFANRHFSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC(C)C2)C1 ZINC001368228915 1339274108 /nfs/dbraw/zinc/27/41/08/1339274108.db2.gz JZIYLRQPDGXPRZ-GSQSYGFSSA-N 1 3 332.492 2.525 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC(C)C2)C1 ZINC001368228915 1339274109 /nfs/dbraw/zinc/27/41/09/1339274109.db2.gz JZIYLRQPDGXPRZ-GSQSYGFSSA-N 1 3 332.492 2.525 20 0 EFADHO CN(C[C@@H]1CCN1CCCC(C)(C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001368390667 1339324674 /nfs/dbraw/zinc/32/46/74/1339324674.db2.gz FTHRHJMCOMOQCO-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)CCC1 ZINC001368479481 1339416730 /nfs/dbraw/zinc/41/67/30/1339416730.db2.gz HMZOOLVHFCCOJE-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368494210 1339431967 /nfs/dbraw/zinc/43/19/67/1339431967.db2.gz HVTVOEDRQODQPR-NZSAHSFTSA-N 1 3 331.504 2.566 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001368501262 1339438791 /nfs/dbraw/zinc/43/87/91/1339438791.db2.gz QGVJSIHDVKEHPU-HDICACEKSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001368517308 1339453142 /nfs/dbraw/zinc/45/31/42/1339453142.db2.gz SXRFVCDKJRAEQD-MJGOQNOKSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001368517308 1339453143 /nfs/dbraw/zinc/45/31/43/1339453143.db2.gz SXRFVCDKJRAEQD-MJGOQNOKSA-N 1 3 349.494 2.945 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001368527086 1339463304 /nfs/dbraw/zinc/46/33/04/1339463304.db2.gz KRVLHXLCEFJTAM-ZCNNSNEGSA-N 1 3 345.531 2.820 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001368536661 1339475854 /nfs/dbraw/zinc/47/58/54/1339475854.db2.gz SAYGSPOSDHFRID-MAEOIBBWSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001368546114 1339483605 /nfs/dbraw/zinc/48/36/05/1339483605.db2.gz UFDWLWHLRUQPKQ-KRWDZBQOSA-N 1 3 339.549 2.923 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001368546114 1339483607 /nfs/dbraw/zinc/48/36/07/1339483607.db2.gz UFDWLWHLRUQPKQ-KRWDZBQOSA-N 1 3 339.549 2.923 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001368567485 1339516395 /nfs/dbraw/zinc/51/63/95/1339516395.db2.gz YPFFMCWLOMLECV-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001368567485 1339516399 /nfs/dbraw/zinc/51/63/99/1339516399.db2.gz YPFFMCWLOMLECV-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(F)c1 ZINC001368590883 1339536997 /nfs/dbraw/zinc/53/69/97/1339536997.db2.gz OCNOPOITAQVLNC-YKTARERQSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1cccc(F)c1 ZINC001368590876 1339537249 /nfs/dbraw/zinc/53/72/49/1339537249.db2.gz OCNOPOITAQVLNC-RCJHGTSTSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001368606997 1339546659 /nfs/dbraw/zinc/54/66/59/1339546659.db2.gz MXKKIMLYADXYMY-RARDXLECSA-N 1 3 343.515 2.889 20 0 EFADHO CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001368638606 1339559152 /nfs/dbraw/zinc/55/91/52/1339559152.db2.gz DPVXMAYYALTKGW-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001368638606 1339559156 /nfs/dbraw/zinc/55/91/56/1339559156.db2.gz DPVXMAYYALTKGW-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cs1 ZINC001368685892 1339599373 /nfs/dbraw/zinc/59/93/73/1339599373.db2.gz DUBKEXSTLQGMCF-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cs1 ZINC001368685907 1339599726 /nfs/dbraw/zinc/59/97/26/1339599726.db2.gz DUBKEXSTLQGMCF-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001368710470 1339629695 /nfs/dbraw/zinc/62/96/95/1339629695.db2.gz SCOGZFLUPHGRJQ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001368710470 1339629704 /nfs/dbraw/zinc/62/97/04/1339629704.db2.gz SCOGZFLUPHGRJQ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001368714768 1339634804 /nfs/dbraw/zinc/63/48/04/1339634804.db2.gz YGQJFBDLXCDDMZ-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001368714768 1339634810 /nfs/dbraw/zinc/63/48/10/1339634810.db2.gz YGQJFBDLXCDDMZ-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001368798263 1339731293 /nfs/dbraw/zinc/73/12/93/1339731293.db2.gz BROUTORLIVGTKF-IBGZPJMESA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001368798263 1339731300 /nfs/dbraw/zinc/73/13/00/1339731300.db2.gz BROUTORLIVGTKF-IBGZPJMESA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809939 1339747973 /nfs/dbraw/zinc/74/79/73/1339747973.db2.gz JZBUWIFVFDVTPI-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809939 1339747977 /nfs/dbraw/zinc/74/79/77/1339747977.db2.gz JZBUWIFVFDVTPI-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccncc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001368924592 1339870527 /nfs/dbraw/zinc/87/05/27/1339870527.db2.gz RQGMBJFWXPJJGI-SFHVURJKSA-N 1 3 348.535 2.550 20 0 EFADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CN([C@H](C)c2ccccc2)C1 ZINC001369089853 1339908335 /nfs/dbraw/zinc/90/83/35/1339908335.db2.gz OMNLILMFEPQPCX-IAGOWNOFSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001369090465 1339909280 /nfs/dbraw/zinc/90/92/80/1339909280.db2.gz HDSQZWZGRPGMCV-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2OC(C)C)C1 ZINC001370409003 1340062176 /nfs/dbraw/zinc/06/21/76/1340062176.db2.gz ZRRJBJXKJTUUIR-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2OC(C)C)C1 ZINC001370409003 1340062179 /nfs/dbraw/zinc/06/21/79/1340062179.db2.gz ZRRJBJXKJTUUIR-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001370480786 1340094881 /nfs/dbraw/zinc/09/48/81/1340094881.db2.gz BXEVRQAPHZOCSS-QAQDUYKDSA-N 1 3 335.536 2.924 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001370511840 1340109396 /nfs/dbraw/zinc/10/93/96/1340109396.db2.gz FWHUCVHXXXQKIG-VAMGGRTRSA-N 1 3 345.531 2.962 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001370543763 1340126103 /nfs/dbraw/zinc/12/61/03/1340126103.db2.gz ASFCVEPWGQGRFB-GDLHICMESA-N 1 3 339.430 2.603 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001370545877 1340127406 /nfs/dbraw/zinc/12/74/06/1340127406.db2.gz HAWOMXGDTUKCJM-ZHALLVOQSA-N 1 3 347.503 2.551 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001370550457 1340129619 /nfs/dbraw/zinc/12/96/19/1340129619.db2.gz XNTAFGJPFPFSJO-JYJNAYRXSA-N 1 3 339.430 2.701 20 0 EFADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(F)(F)F)CCC1 ZINC001370585494 1340148202 /nfs/dbraw/zinc/14/82/02/1340148202.db2.gz KVHNJPZADUEZAQ-AGUYFDCRSA-N 1 3 347.425 2.535 20 0 EFADHO CN(C)C1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(F)(F)F)CCC1 ZINC001370585494 1340148205 /nfs/dbraw/zinc/14/82/05/1340148205.db2.gz KVHNJPZADUEZAQ-AGUYFDCRSA-N 1 3 347.425 2.535 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001370789341 1340211340 /nfs/dbraw/zinc/21/13/40/1340211340.db2.gz ZFCDJGAQQVNFBA-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001370789341 1340211342 /nfs/dbraw/zinc/21/13/42/1340211342.db2.gz ZFCDJGAQQVNFBA-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001370854480 1340236903 /nfs/dbraw/zinc/23/69/03/1340236903.db2.gz VBQFCCUNGVMHTM-MRXNPFEDSA-N 1 3 337.533 2.727 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCCN2CCCF)CCCCC1 ZINC001370872020 1340248716 /nfs/dbraw/zinc/24/87/16/1340248716.db2.gz MXNJWMOYCKJRLZ-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(OC)c1 ZINC001370960348 1340307117 /nfs/dbraw/zinc/30/71/17/1340307117.db2.gz IXZGHMWAYSVBGY-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001370964785 1340309516 /nfs/dbraw/zinc/30/95/16/1340309516.db2.gz BXQVNUIDCVOQPY-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001370964785 1340309519 /nfs/dbraw/zinc/30/95/19/1340309519.db2.gz BXQVNUIDCVOQPY-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1 ZINC001370968151 1340313261 /nfs/dbraw/zinc/31/32/61/1340313261.db2.gz TYYHBYOLRYOKHI-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001370969476 1340314195 /nfs/dbraw/zinc/31/41/95/1340314195.db2.gz VPXSGEWAIVVTIS-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001370977843 1340319596 /nfs/dbraw/zinc/31/95/96/1340319596.db2.gz QCZFMXWSTFCJIZ-DLBZAZTESA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001370977843 1340319598 /nfs/dbraw/zinc/31/95/98/1340319598.db2.gz QCZFMXWSTFCJIZ-DLBZAZTESA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001370977849 1340320038 /nfs/dbraw/zinc/32/00/38/1340320038.db2.gz QCZFMXWSTFCJIZ-SJORKVTESA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001370977849 1340320041 /nfs/dbraw/zinc/32/00/41/1340320041.db2.gz QCZFMXWSTFCJIZ-SJORKVTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041473 1340329875 /nfs/dbraw/zinc/32/98/75/1340329875.db2.gz FTXVNZQIPXIDPA-YHDCXSKOSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001371041473 1340329879 /nfs/dbraw/zinc/32/98/79/1340329879.db2.gz FTXVNZQIPXIDPA-YHDCXSKOSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001371079827 1340351738 /nfs/dbraw/zinc/35/17/38/1340351738.db2.gz TWHHJXDPCQBGBL-TVPLGVNVSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001371197119 1340408787 /nfs/dbraw/zinc/40/87/87/1340408787.db2.gz ANOZUMFZAQRJST-CHWSQXEVSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001371215566 1340423375 /nfs/dbraw/zinc/42/33/75/1340423375.db2.gz YOLKGAURSWQPRC-WBMJQRKESA-N 1 3 343.874 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001371426852 1340582723 /nfs/dbraw/zinc/58/27/23/1340582723.db2.gz KXOPCOMQSZHUBV-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001371621894 1340680361 /nfs/dbraw/zinc/68/03/61/1340680361.db2.gz SEUVLISIOMMXEN-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(F)c(Cl)c1 ZINC001372922085 1340855130 /nfs/dbraw/zinc/85/51/30/1340855130.db2.gz LCVDQPZWIQFAAV-BLLLJJGKSA-N 1 3 341.858 2.682 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001373059910 1340888030 /nfs/dbraw/zinc/88/80/30/1340888030.db2.gz ZSZYZEPGXOASKV-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373381102 1341005849 /nfs/dbraw/zinc/00/58/49/1341005849.db2.gz VFWOADSVHFSZMW-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373403756 1341013911 /nfs/dbraw/zinc/01/39/11/1341013911.db2.gz AAESXCRZHFHQCC-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)C(C)(C)[NH+]3CCCCC3)C2)c1 ZINC001373508380 1341039906 /nfs/dbraw/zinc/03/99/06/1341039906.db2.gz OFRDJSZEBNJOOX-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001373533253 1341046740 /nfs/dbraw/zinc/04/67/40/1341046740.db2.gz VBAIKFNPHSJWRN-HXUWFJFHSA-N 1 3 343.515 2.698 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373680126 1341097260 /nfs/dbraw/zinc/09/72/60/1341097260.db2.gz NEBCWESXZCYHST-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001373694652 1341105545 /nfs/dbraw/zinc/10/55/45/1341105545.db2.gz HPESDPNEQFDCPC-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001373694655 1341105623 /nfs/dbraw/zinc/10/56/23/1341105623.db2.gz HPESDPNEQFDCPC-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001373913830 1341200984 /nfs/dbraw/zinc/20/09/84/1341200984.db2.gz ZHECXMCOYGOZRK-IRXDYDNUSA-N 1 3 340.471 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001373923443 1341205245 /nfs/dbraw/zinc/20/52/45/1341205245.db2.gz KVEAECYKZANXDW-JYJNAYRXSA-N 1 3 345.478 2.635 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](Cc2ccccc2F)CC1)N(C)C ZINC001373948409 1341238602 /nfs/dbraw/zinc/23/86/02/1341238602.db2.gz BSUAZCCJESGADA-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](Cc2cccc(F)c2)CC1)N(C)C ZINC001373949437 1341240711 /nfs/dbraw/zinc/24/07/11/1341240711.db2.gz MENXRICXXHXVHE-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1CCN(CCF)CC1)[NH+]1CCCCC1 ZINC001373952998 1341246713 /nfs/dbraw/zinc/24/67/13/1341246713.db2.gz VVIHAMYYZHDWSU-GOSISDBHSA-N 1 3 341.515 2.685 20 0 EFADHO Cc1cc(C)c(CN2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001391495098 1355245399 /nfs/dbraw/zinc/24/53/99/1355245399.db2.gz HEUKXJQGCDHCOU-UHFFFAOYSA-N 1 3 343.515 2.502 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1cccc(F)c1 ZINC001374013612 1341302725 /nfs/dbraw/zinc/30/27/25/1341302725.db2.gz LDBJMWNKALATHS-INIZCTEOSA-N 1 3 349.494 2.932 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001374014521 1341303416 /nfs/dbraw/zinc/30/34/16/1341303416.db2.gz OZXSTANMFAODMF-XLIONFOSSA-N 1 3 345.531 2.964 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374025493 1341314483 /nfs/dbraw/zinc/31/44/83/1341314483.db2.gz CIROJWSDXKFPDT-MAUKXSAKSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1sccc1Cl ZINC001374068600 1341359469 /nfs/dbraw/zinc/35/94/69/1341359469.db2.gz AJQVTVUQHUTHRE-CHWSQXEVSA-N 1 3 343.924 2.585 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(Cl)s1 ZINC001374076757 1341368961 /nfs/dbraw/zinc/36/89/61/1341368961.db2.gz MNUAGMLUFJRXRI-CHWSQXEVSA-N 1 3 343.924 2.585 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001374177188 1341513954 /nfs/dbraw/zinc/51/39/54/1341513954.db2.gz XZRSSXFIJAWDTD-CYBMUJFWSA-N 1 3 337.430 2.544 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001374244618 1341600417 /nfs/dbraw/zinc/60/04/17/1341600417.db2.gz NJEMKFXSODXRAD-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001374244605 1341600463 /nfs/dbraw/zinc/60/04/63/1341600463.db2.gz NJEMKFXSODXRAD-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374276648 1341648087 /nfs/dbraw/zinc/64/80/87/1341648087.db2.gz AAMKOJGXPIDPCD-HNNXBMFYSA-N 1 3 337.483 2.740 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001374280326 1341651612 /nfs/dbraw/zinc/65/16/12/1341651612.db2.gz MDXPSFZFQDCQLI-YOEHRIQHSA-N 1 3 331.460 2.710 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001392109746 1355772869 /nfs/dbraw/zinc/77/28/69/1355772869.db2.gz KJIXOOYPLMIJNP-GOSISDBHSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@@H](C)C1 ZINC001374389197 1341841493 /nfs/dbraw/zinc/84/14/93/1341841493.db2.gz XFHMJJBJDJDUHK-WMLDXEAASA-N 1 3 337.533 2.725 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN1C ZINC001374519758 1342012451 /nfs/dbraw/zinc/01/24/51/1342012451.db2.gz KFWHQSPXGCIUFU-LJQANCHMSA-N 1 3 345.531 2.969 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CCCN1C ZINC001374519758 1342012452 /nfs/dbraw/zinc/01/24/52/1342012452.db2.gz KFWHQSPXGCIUFU-LJQANCHMSA-N 1 3 345.531 2.969 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001374551663 1342060680 /nfs/dbraw/zinc/06/06/80/1342060680.db2.gz ZWIUIFZCFVLWQZ-FQEVSTJZSA-N 1 3 345.531 2.652 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001374567806 1342080348 /nfs/dbraw/zinc/08/03/48/1342080348.db2.gz HQGHSLUAONDULT-RBUKOAKNSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001374702644 1342121016 /nfs/dbraw/zinc/12/10/16/1342121016.db2.gz YXXCFPGIDOZZPW-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001374723474 1342138398 /nfs/dbraw/zinc/13/83/98/1342138398.db2.gz MSYNGWKUYNJRED-IBGZPJMESA-N 1 3 349.494 2.983 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001374834588 1342198118 /nfs/dbraw/zinc/19/81/18/1342198118.db2.gz UVFKMZRSRFBHNN-NVXWUHKLSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052736 1342353021 /nfs/dbraw/zinc/35/30/21/1342353021.db2.gz DJIRATXZFLAJPO-NLZINVLXSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052736 1342353025 /nfs/dbraw/zinc/35/30/25/1342353025.db2.gz DJIRATXZFLAJPO-NLZINVLXSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@H+](C)CC1CCC(F)(F)CC1)NC(=O)CN(C)C1CCC1 ZINC001375052063 1342353483 /nfs/dbraw/zinc/35/34/83/1342353483.db2.gz CPLWKCJEQRUXAV-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](C[N@@H+](C)CC1CCC(F)(F)CC1)NC(=O)CN(C)C1CCC1 ZINC001375052063 1342353489 /nfs/dbraw/zinc/35/34/89/1342353489.db2.gz CPLWKCJEQRUXAV-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001375054895 1342357439 /nfs/dbraw/zinc/35/74/39/1342357439.db2.gz AQICHHQTYDKUDR-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001375054895 1342357446 /nfs/dbraw/zinc/35/74/46/1342357446.db2.gz AQICHHQTYDKUDR-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001375129999 1342442191 /nfs/dbraw/zinc/44/21/91/1342442191.db2.gz XDSVCFSCACBUMG-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001375129999 1342442194 /nfs/dbraw/zinc/44/21/94/1342442194.db2.gz XDSVCFSCACBUMG-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001375176059 1342492035 /nfs/dbraw/zinc/49/20/35/1342492035.db2.gz IKWCWNXDMFFBEF-RTBURBONSA-N 1 3 331.504 2.793 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001375176058 1342492132 /nfs/dbraw/zinc/49/21/32/1342492132.db2.gz IKWCWNXDMFFBEF-RBUKOAKNSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393380994 1356801357 /nfs/dbraw/zinc/80/13/57/1356801357.db2.gz GFUBOYXJCSAQQL-VKGGURKZSA-N 1 3 329.916 2.543 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccccc1Cl)C1CC1)C1CCC1 ZINC001375229582 1342532559 /nfs/dbraw/zinc/53/25/59/1342532559.db2.gz NUUFBAVAOLRIGZ-SFHVURJKSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001375230480 1342533494 /nfs/dbraw/zinc/53/34/94/1342533494.db2.gz QUDIQNRDBOPNAF-KRWDZBQOSA-N 1 3 335.517 2.525 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1sccc1Cl)C1CC1)N(C)C ZINC001375256785 1342561213 /nfs/dbraw/zinc/56/12/13/1342561213.db2.gz JYYGLMSIGCEUIN-KGLIPLIRSA-N 1 3 343.924 2.726 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1sccc1Cl)C1CC1)N(C)C ZINC001375256782 1342561292 /nfs/dbraw/zinc/56/12/92/1342561292.db2.gz JYYGLMSIGCEUIN-KBPBESRZSA-N 1 3 343.924 2.726 20 0 EFADHO CC(C)c1ccccc1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001375421988 1342726021 /nfs/dbraw/zinc/72/60/21/1342726021.db2.gz SYIKQLBVHOYFBZ-VQIMIIECSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)c1ccccc1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001375421988 1342726025 /nfs/dbraw/zinc/72/60/25/1342726025.db2.gz SYIKQLBVHOYFBZ-VQIMIIECSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CC1 ZINC001375424148 1342727734 /nfs/dbraw/zinc/72/77/34/1342727734.db2.gz ARVSSSUOFOJQFX-SFHVURJKSA-N 1 3 329.488 2.608 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C)CC1 ZINC001375426236 1342730006 /nfs/dbraw/zinc/73/00/06/1342730006.db2.gz ZBJODPAQZSKGKG-GOSISDBHSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CC[C@H]2CCc3ccccc32)CC1)N(C)C ZINC001375490166 1342796595 /nfs/dbraw/zinc/79/65/95/1342796595.db2.gz IKUFYESCVMWSCO-MJGOQNOKSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001375520483 1342828909 /nfs/dbraw/zinc/82/89/09/1342828909.db2.gz YAMKXSBLHVUQAZ-IYBDPMFKSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375558222 1342874279 /nfs/dbraw/zinc/87/42/79/1342874279.db2.gz QTYHSJQZCMIRNT-STEAMIEHSA-N 1 3 349.494 2.957 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)N(C)C ZINC001393724031 1357104747 /nfs/dbraw/zinc/10/47/47/1357104747.db2.gz ZEWMNYGTHCLTGA-IBGZPJMESA-N 1 3 329.488 2.759 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2)N(C)C ZINC001393724031 1357104751 /nfs/dbraw/zinc/10/47/51/1357104751.db2.gz ZEWMNYGTHCLTGA-IBGZPJMESA-N 1 3 329.488 2.759 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001375838244 1343074993 /nfs/dbraw/zinc/07/49/93/1343074993.db2.gz PHXWLYJUEQUODN-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001375875482 1343122151 /nfs/dbraw/zinc/12/21/51/1343122151.db2.gz QBUWHKGICHTLNG-SFHVURJKSA-N 1 3 349.544 2.869 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375962669 1343222361 /nfs/dbraw/zinc/22/23/61/1343222361.db2.gz SONVVKUMMOXIRM-IBGZPJMESA-N 1 3 334.508 2.915 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001375962669 1343222363 /nfs/dbraw/zinc/22/23/63/1343222363.db2.gz SONVVKUMMOXIRM-IBGZPJMESA-N 1 3 334.508 2.915 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001376061670 1343294588 /nfs/dbraw/zinc/29/45/88/1343294588.db2.gz STDXDLLXVPXTGW-IEBWSBKVSA-N 1 3 343.515 2.978 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001376080422 1343310945 /nfs/dbraw/zinc/31/09/45/1343310945.db2.gz ZAIFCCKMAGMLIQ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001376080422 1343310947 /nfs/dbraw/zinc/31/09/47/1343310947.db2.gz ZAIFCCKMAGMLIQ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](C[C@H](C)CC(C)C)CC2 ZINC001376175439 1343375373 /nfs/dbraw/zinc/37/53/73/1343375373.db2.gz CXLBCWFQBUKESX-QAPCUYQASA-N 1 3 346.519 2.914 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC23CC[NH+](CC2CCCC2)CC3)CCC1 ZINC001376176045 1343376757 /nfs/dbraw/zinc/37/67/57/1343376757.db2.gz VZUNGVQHETVYRT-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC001376223143 1343408491 /nfs/dbraw/zinc/40/84/91/1343408491.db2.gz ZZZXQXXRCUAONX-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H](N[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001376245868 1343424118 /nfs/dbraw/zinc/42/41/18/1343424118.db2.gz VTFMXVZUCSLPGV-AUUYWEPGSA-N 1 3 347.478 2.713 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1)CC(C)(C)C ZINC001376277918 1343447368 /nfs/dbraw/zinc/44/73/68/1343447368.db2.gz ARCDNZIPOMFPSF-MNDMWVCDSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1)CC(C)(C)C ZINC001376277918 1343447370 /nfs/dbraw/zinc/44/73/70/1343447370.db2.gz ARCDNZIPOMFPSF-MNDMWVCDSA-N 1 3 343.943 2.887 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1 ZINC001376380007 1343533564 /nfs/dbraw/zinc/53/35/64/1343533564.db2.gz REWMVIOROSRHDD-IBGZPJMESA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001376386284 1343541208 /nfs/dbraw/zinc/54/12/08/1343541208.db2.gz FDSYLRHVHVAXGY-KODHJQJWSA-N 1 3 347.478 2.636 20 0 EFADHO CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001393768235 1357139399 /nfs/dbraw/zinc/13/93/99/1357139399.db2.gz ZSPVHONCYHMVRO-LJQANCHMSA-N 1 3 345.531 2.743 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001376527697 1343652618 /nfs/dbraw/zinc/65/26/18/1343652618.db2.gz MCRAAVKPXDHYKP-KRWDZBQOSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001376527697 1343652620 /nfs/dbraw/zinc/65/26/20/1343652620.db2.gz MCRAAVKPXDHYKP-KRWDZBQOSA-N 1 3 325.541 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620891 1343727715 /nfs/dbraw/zinc/72/77/15/1343727715.db2.gz JMUHPBBHVNCJLA-DLBZAZTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620891 1343727718 /nfs/dbraw/zinc/72/77/18/1343727718.db2.gz JMUHPBBHVNCJLA-DLBZAZTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625589 1343732295 /nfs/dbraw/zinc/73/22/95/1343732295.db2.gz NUMPVQNBCHNCJD-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625589 1343732299 /nfs/dbraw/zinc/73/22/99/1343732299.db2.gz NUMPVQNBCHNCJD-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376628281 1343734820 /nfs/dbraw/zinc/73/48/20/1343734820.db2.gz REAVOZRJUKLHLC-GOEBONIOSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001376628281 1343734822 /nfs/dbraw/zinc/73/48/22/1343734822.db2.gz REAVOZRJUKLHLC-GOEBONIOSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCc2cccs2)CC1 ZINC001376678637 1343760595 /nfs/dbraw/zinc/76/05/95/1343760595.db2.gz PWUAFFQLKTYZHH-UHFFFAOYSA-N 1 3 337.533 2.649 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001376738664 1343794988 /nfs/dbraw/zinc/79/49/88/1343794988.db2.gz IZXIQQYFWBONLM-HNAYVOBHSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCC1)N(C)C ZINC001376745135 1343800850 /nfs/dbraw/zinc/80/08/50/1343800850.db2.gz GHMRVPFDAFIHHS-ICEKFOEVSA-N 1 3 343.515 2.915 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCC1)N(C)C ZINC001376780722 1343832590 /nfs/dbraw/zinc/83/25/90/1343832590.db2.gz AFBJVMYTSIHCNY-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001376812695 1343864307 /nfs/dbraw/zinc/86/43/07/1343864307.db2.gz QQTKBSYIRFMFHB-HUUCEWRRSA-N 1 3 337.483 2.959 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001376851713 1343891954 /nfs/dbraw/zinc/89/19/54/1343891954.db2.gz VGWMJJJARPJXCU-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1ccccc1 ZINC001393787183 1357156224 /nfs/dbraw/zinc/15/62/24/1357156224.db2.gz RAFTUZIEBWBVCN-PKOBYXMFSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1ccccc1 ZINC001393787183 1357156225 /nfs/dbraw/zinc/15/62/25/1357156225.db2.gz RAFTUZIEBWBVCN-PKOBYXMFSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912679 1343950849 /nfs/dbraw/zinc/95/08/49/1343950849.db2.gz VNHOFQOAGVWUBJ-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912679 1343950852 /nfs/dbraw/zinc/95/08/52/1343950852.db2.gz VNHOFQOAGVWUBJ-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912177 1343951078 /nfs/dbraw/zinc/95/10/78/1343951078.db2.gz UNVSEDQPAILHDK-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912177 1343951085 /nfs/dbraw/zinc/95/10/85/1343951085.db2.gz UNVSEDQPAILHDK-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001376915533 1343953677 /nfs/dbraw/zinc/95/36/77/1343953677.db2.gz WQHXLXOLLIHODL-DXWDOBMASA-N 1 3 327.900 2.586 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)cs1 ZINC001393788954 1357157661 /nfs/dbraw/zinc/15/76/61/1357157661.db2.gz VFTQDVWULLMQKF-PBHICJAKSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001376942474 1343973502 /nfs/dbraw/zinc/97/35/02/1343973502.db2.gz OMANYJKNOGPBHB-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001376942474 1343973504 /nfs/dbraw/zinc/97/35/04/1343973504.db2.gz OMANYJKNOGPBHB-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001376946250 1343976548 /nfs/dbraw/zinc/97/65/48/1343976548.db2.gz BBKYAUKUUIGMBC-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001376951472 1343981107 /nfs/dbraw/zinc/98/11/07/1343981107.db2.gz COYIPYBNBWANBE-YJBOKZPZSA-N 1 3 326.444 2.542 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001376962324 1343991516 /nfs/dbraw/zinc/99/15/16/1343991516.db2.gz CTXJONAERABASL-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1C ZINC001376962324 1343991517 /nfs/dbraw/zinc/99/15/17/1343991517.db2.gz CTXJONAERABASL-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001377034264 1344079885 /nfs/dbraw/zinc/07/98/85/1344079885.db2.gz SZINLPRYHDZBTP-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001377034264 1344079888 /nfs/dbraw/zinc/07/98/88/1344079888.db2.gz SZINLPRYHDZBTP-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001377193063 1344144869 /nfs/dbraw/zinc/14/48/69/1344144869.db2.gz YOGMQMSMSCSLLR-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001377193063 1344144872 /nfs/dbraw/zinc/14/48/72/1344144872.db2.gz YOGMQMSMSCSLLR-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001377396670 1344159038 /nfs/dbraw/zinc/15/90/38/1344159038.db2.gz VPJRPAGDDALFGF-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001377396670 1344159042 /nfs/dbraw/zinc/15/90/42/1344159042.db2.gz VPJRPAGDDALFGF-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001377419584 1344161305 /nfs/dbraw/zinc/16/13/05/1344161305.db2.gz UZDORIHCCRJIFU-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001377419584 1344161308 /nfs/dbraw/zinc/16/13/08/1344161308.db2.gz UZDORIHCCRJIFU-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc(C)sc1C ZINC001377503307 1344165451 /nfs/dbraw/zinc/16/54/51/1344165451.db2.gz PFIATKAJDQXITD-MRXNPFEDSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc(C)sc1C ZINC001377503307 1344165457 /nfs/dbraw/zinc/16/54/57/1344165457.db2.gz PFIATKAJDQXITD-MRXNPFEDSA-N 1 3 337.533 2.645 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001377572105 1344181979 /nfs/dbraw/zinc/18/19/79/1344181979.db2.gz GLSRXMAEWWXARH-IAGOWNOFSA-N 1 3 337.895 2.716 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001377704638 1344346218 /nfs/dbraw/zinc/34/62/18/1344346218.db2.gz WAHQQIVSGYPNKG-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001377704638 1344346224 /nfs/dbraw/zinc/34/62/24/1344346224.db2.gz WAHQQIVSGYPNKG-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377706668 1344350313 /nfs/dbraw/zinc/35/03/13/1344350313.db2.gz JVOHNCLDJLYHPL-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377706668 1344350316 /nfs/dbraw/zinc/35/03/16/1344350316.db2.gz JVOHNCLDJLYHPL-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CCCC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001377720331 1344368320 /nfs/dbraw/zinc/36/83/20/1344368320.db2.gz BBEVMFNBXHTPCK-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001377720331 1344368323 /nfs/dbraw/zinc/36/83/23/1344368323.db2.gz BBEVMFNBXHTPCK-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001377837419 1344493910 /nfs/dbraw/zinc/49/39/10/1344493910.db2.gz GIPMBMKLHZZXTC-WDSOQIARSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cccnc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001377963849 1344621058 /nfs/dbraw/zinc/62/10/58/1344621058.db2.gz ZRYWFTHTLKAPSR-GOSISDBHSA-N 1 3 348.535 2.550 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001377985803 1344639314 /nfs/dbraw/zinc/63/93/14/1344639314.db2.gz PKDHVNDOCLORNS-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCCc2ccccc21 ZINC001378037380 1344688325 /nfs/dbraw/zinc/68/83/25/1344688325.db2.gz MSVCDZABHXPUSM-CMKODMSKSA-N 1 3 341.499 2.691 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001378060539 1344713714 /nfs/dbraw/zinc/71/37/14/1344713714.db2.gz AUZZGDGCQDIXJT-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001378060539 1344713715 /nfs/dbraw/zinc/71/37/15/1344713715.db2.gz AUZZGDGCQDIXJT-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378063904 1344717421 /nfs/dbraw/zinc/71/74/21/1344717421.db2.gz LSUAZMVXOBXSHL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378063904 1344717425 /nfs/dbraw/zinc/71/74/25/1344717425.db2.gz LSUAZMVXOBXSHL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001378120030 1344781617 /nfs/dbraw/zinc/78/16/17/1344781617.db2.gz KYQDBJQIMBBQFH-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378168045 1344838312 /nfs/dbraw/zinc/83/83/12/1344838312.db2.gz WSTVYFIPVIZFBD-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378168045 1344838316 /nfs/dbraw/zinc/83/83/16/1344838316.db2.gz WSTVYFIPVIZFBD-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001378259409 1344938239 /nfs/dbraw/zinc/93/82/39/1344938239.db2.gz OAITZUNBBCVUKV-HOTGVXAUSA-N 1 3 325.522 2.627 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001378436884 1345075493 /nfs/dbraw/zinc/07/54/93/1345075493.db2.gz FKSHGHCBOFSPJZ-FHWLQOOXSA-N 1 3 349.494 2.929 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2CC)C1 ZINC001378578101 1345174731 /nfs/dbraw/zinc/17/47/31/1345174731.db2.gz BBQBHUQWAXJWPJ-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001378608293 1345195114 /nfs/dbraw/zinc/19/51/14/1345195114.db2.gz CNLJPEWWLHDSJS-APWZRJJASA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(F)cccc1Cl)N(C)C ZINC001378617580 1345201178 /nfs/dbraw/zinc/20/11/78/1345201178.db2.gz UQJDPUWPLVJWIU-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001378777020 1345308391 /nfs/dbraw/zinc/30/83/91/1345308391.db2.gz QTPYHDHAFNZTFJ-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001378796343 1345319914 /nfs/dbraw/zinc/31/99/14/1345319914.db2.gz NFOOIARLWAKENP-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)CC(C)C)C2 ZINC001378796343 1345319916 /nfs/dbraw/zinc/31/99/16/1345319916.db2.gz NFOOIARLWAKENP-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CC1CC(C[N@H+](C)CCC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001378924544 1345429409 /nfs/dbraw/zinc/42/94/09/1345429409.db2.gz WMOGEQKGXYXAJP-PGYGNJIDSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)CCC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001378924544 1345429412 /nfs/dbraw/zinc/42/94/12/1345429412.db2.gz WMOGEQKGXYXAJP-PGYGNJIDSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1)N(C)C ZINC001378924635 1345429601 /nfs/dbraw/zinc/42/96/01/1345429601.db2.gz RDHCRNWEBPRHMV-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1)N(C)C ZINC001378924635 1345429603 /nfs/dbraw/zinc/42/96/03/1345429603.db2.gz RDHCRNWEBPRHMV-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC001378925546 1345430907 /nfs/dbraw/zinc/43/09/07/1345430907.db2.gz XCXBQUZIXMLNMY-IPUYDCKKSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC=C(Cl)Cl ZINC001378961985 1345461242 /nfs/dbraw/zinc/46/12/42/1345461242.db2.gz MNKOBODYUJEIOI-CYBMUJFWSA-N 1 3 336.307 2.520 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001379031593 1345512446 /nfs/dbraw/zinc/51/24/46/1345512446.db2.gz NCWUCZRFDQOOTF-KXBFYZLASA-N 1 3 340.471 2.848 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001379082491 1345559994 /nfs/dbraw/zinc/55/99/94/1345559994.db2.gz IJPYBXFCNVVTOX-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001379082491 1345559999 /nfs/dbraw/zinc/55/99/99/1345559999.db2.gz IJPYBXFCNVVTOX-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F)[NH+](C)C ZINC001379104501 1345581637 /nfs/dbraw/zinc/58/16/37/1345581637.db2.gz ZCAWLIBOQAGDJV-RBUKOAKNSA-N 1 3 349.494 2.789 20 0 EFADHO CCc1ccccc1CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001379110003 1345587537 /nfs/dbraw/zinc/58/75/37/1345587537.db2.gz SGPIRCPXIARUAC-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001379127147 1345605439 /nfs/dbraw/zinc/60/54/39/1345605439.db2.gz RAGFPXIIMRKFEG-LJQANCHMSA-N 1 3 331.504 2.796 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001379127147 1345605441 /nfs/dbraw/zinc/60/54/41/1345605441.db2.gz RAGFPXIIMRKFEG-LJQANCHMSA-N 1 3 331.504 2.796 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001379153736 1345629278 /nfs/dbraw/zinc/62/92/78/1345629278.db2.gz ZEKQHVXZVRWFAK-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001379154843 1345630701 /nfs/dbraw/zinc/63/07/01/1345630701.db2.gz NJXOSTFEYWXTGX-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001379312344 1345716952 /nfs/dbraw/zinc/71/69/52/1345716952.db2.gz GUWUZKOMPKNPJT-CXAGYDPISA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cncc(CN[C@H](C)CN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001379322876 1345726303 /nfs/dbraw/zinc/72/63/03/1345726303.db2.gz GXIQVFLPGUWGGP-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001379419771 1345775759 /nfs/dbraw/zinc/77/57/59/1345775759.db2.gz QIXNHMOGDKRBJD-MDASCCDHSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001379557020 1345858088 /nfs/dbraw/zinc/85/80/88/1345858088.db2.gz TUJCHFUWFJTKSF-PBHICJAKSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001379680710 1347254337 /nfs/dbraw/zinc/25/43/37/1347254337.db2.gz PSHCBPMHHLXTAL-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001379680710 1347254342 /nfs/dbraw/zinc/25/43/42/1347254342.db2.gz PSHCBPMHHLXTAL-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001379686850 1347258875 /nfs/dbraw/zinc/25/88/75/1347258875.db2.gz XSQVCSZMUKOBRV-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001379686850 1347258877 /nfs/dbraw/zinc/25/88/77/1347258877.db2.gz XSQVCSZMUKOBRV-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001379750421 1347306205 /nfs/dbraw/zinc/30/62/05/1347306205.db2.gz OAGVSZPSJAQTSF-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001379750421 1347306212 /nfs/dbraw/zinc/30/62/12/1347306212.db2.gz OAGVSZPSJAQTSF-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001379908976 1347400376 /nfs/dbraw/zinc/40/03/76/1347400376.db2.gz LINIGOQLORWKGV-OALUTQOASA-N 1 3 347.478 2.639 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001380009164 1347456325 /nfs/dbraw/zinc/45/63/25/1347456325.db2.gz ALOBCRNQRIDBIW-GOSISDBHSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1Cc1c(C)cccc1C ZINC001380009164 1347456326 /nfs/dbraw/zinc/45/63/26/1347456326.db2.gz ALOBCRNQRIDBIW-GOSISDBHSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001380009167 1347456517 /nfs/dbraw/zinc/45/65/17/1347456517.db2.gz ALOBCRNQRIDBIW-SFHVURJKSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1c(C)cccc1C ZINC001380009167 1347456520 /nfs/dbraw/zinc/45/65/20/1347456520.db2.gz ALOBCRNQRIDBIW-SFHVURJKSA-N 1 3 331.504 2.726 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1Cc1cccc2ccccc21 ZINC001380021214 1347465369 /nfs/dbraw/zinc/46/53/69/1347465369.db2.gz RUESLNYVBNMTSV-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO Cc1ncccc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001380078452 1347504923 /nfs/dbraw/zinc/50/49/23/1347504923.db2.gz VVSRMKIRBXYXCH-QZTJIDSGSA-N 1 3 348.535 2.597 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)cs1 ZINC001380118262 1347520914 /nfs/dbraw/zinc/52/09/14/1347520914.db2.gz YISXTHVCDDQDNR-QGZVFWFLSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)cs1 ZINC001380118262 1347520918 /nfs/dbraw/zinc/52/09/18/1347520918.db2.gz YISXTHVCDDQDNR-QGZVFWFLSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)cs1 ZINC001380118256 1347521066 /nfs/dbraw/zinc/52/10/66/1347521066.db2.gz YISXTHVCDDQDNR-KRWDZBQOSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)cs1 ZINC001380118256 1347521069 /nfs/dbraw/zinc/52/10/69/1347521069.db2.gz YISXTHVCDDQDNR-KRWDZBQOSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001380280807 1347566993 /nfs/dbraw/zinc/56/69/93/1347566993.db2.gz BUHHXSKNULUTEZ-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)c1ccccc1F ZINC001380296199 1347573945 /nfs/dbraw/zinc/57/39/45/1347573945.db2.gz YUDIVBTUCDJFQJ-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@H](C)c1ccccc1F ZINC001380296199 1347573948 /nfs/dbraw/zinc/57/39/48/1347573948.db2.gz YUDIVBTUCDJFQJ-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001380427763 1347664527 /nfs/dbraw/zinc/66/45/27/1347664527.db2.gz UXCVRFUHVLGJPR-NRFANRHFSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](Cc2cccc(F)c2)CC1 ZINC001380455430 1347683706 /nfs/dbraw/zinc/68/37/06/1347683706.db2.gz VMZDQYKVDORJNI-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380659190 1347794994 /nfs/dbraw/zinc/79/49/94/1347794994.db2.gz FJCPNFHAXGHFNR-HZPDHXFCSA-N 1 3 349.544 2.602 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CC[C@H](CNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001380698270 1347820306 /nfs/dbraw/zinc/82/03/06/1347820306.db2.gz QKOXRGDVEWFVGQ-QSNDTCENSA-N 1 3 349.563 2.887 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1 ZINC001380802492 1347888581 /nfs/dbraw/zinc/88/85/81/1347888581.db2.gz HGDXFQUSLKYVRO-RUCARUNLSA-N 1 3 349.494 2.932 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001380859561 1347919978 /nfs/dbraw/zinc/91/99/78/1347919978.db2.gz IYGQLVRQDIVZOU-YLBKJFSISA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001380859561 1347919981 /nfs/dbraw/zinc/91/99/81/1347919981.db2.gz IYGQLVRQDIVZOU-YLBKJFSISA-N 1 3 339.911 2.774 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCC2)CCC1)N1CCCCC1 ZINC001380904309 1347947204 /nfs/dbraw/zinc/94/72/04/1347947204.db2.gz ZQFXVOBBHAMBNB-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001380949239 1347978377 /nfs/dbraw/zinc/97/83/77/1347978377.db2.gz OCEAQARBRLPOCS-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001380949239 1347978383 /nfs/dbraw/zinc/97/83/83/1347978383.db2.gz OCEAQARBRLPOCS-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001380949235 1347978466 /nfs/dbraw/zinc/97/84/66/1347978466.db2.gz NZRZMEDFGPTHPW-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(CCC[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001380949235 1347978470 /nfs/dbraw/zinc/97/84/70/1347978470.db2.gz NZRZMEDFGPTHPW-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001380972405 1347995997 /nfs/dbraw/zinc/99/59/97/1347995997.db2.gz ORHRXXCBEFUSFF-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001380972405 1347995999 /nfs/dbraw/zinc/99/59/99/1347995999.db2.gz ORHRXXCBEFUSFF-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CCc2ccccc2)CC1 ZINC001380980099 1348001260 /nfs/dbraw/zinc/00/12/60/1348001260.db2.gz JSGUZOFKQPPDCN-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CCc2ccccc2)CC1 ZINC001380980099 1348001261 /nfs/dbraw/zinc/00/12/61/1348001261.db2.gz JSGUZOFKQPPDCN-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001381095797 1348073379 /nfs/dbraw/zinc/07/33/79/1348073379.db2.gz IOJCCHIDMWNZQI-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCc1cccs1)N(C)C ZINC001381298406 1348197624 /nfs/dbraw/zinc/19/76/24/1348197624.db2.gz KOEALHUNNIAHKJ-WBVHZDCISA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1cccs1)N(C)C ZINC001381298406 1348197628 /nfs/dbraw/zinc/19/76/28/1348197628.db2.gz KOEALHUNNIAHKJ-WBVHZDCISA-N 1 3 337.533 2.554 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCF)c1 ZINC001381314348 1348206300 /nfs/dbraw/zinc/20/63/00/1348206300.db2.gz PTMVFIZHMQODQY-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCF)c1 ZINC001381314348 1348206302 /nfs/dbraw/zinc/20/63/02/1348206302.db2.gz PTMVFIZHMQODQY-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001381315160 1348207342 /nfs/dbraw/zinc/20/73/42/1348207342.db2.gz SAWVEVXRMDADDP-QBUOGWAXSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001381315160 1348207344 /nfs/dbraw/zinc/20/73/44/1348207344.db2.gz SAWVEVXRMDADDP-QBUOGWAXSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001381456075 1348288114 /nfs/dbraw/zinc/28/81/14/1348288114.db2.gz HIXNXPREWZDGHE-XYMPSNEESA-N 1 3 329.916 2.684 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001381461446 1348291065 /nfs/dbraw/zinc/29/10/65/1348291065.db2.gz DFJIWJYNLOXSCD-RUXDESIVSA-N 1 3 337.430 2.638 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001381478818 1348300344 /nfs/dbraw/zinc/30/03/44/1348300344.db2.gz LVWMBXCRPQQSTA-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO Cc1cc(CN(C)[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001381564057 1348361100 /nfs/dbraw/zinc/36/11/00/1348361100.db2.gz JDOSCTJFJRAIBO-CYBMUJFWSA-N 1 3 337.533 2.643 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381568925 1348365949 /nfs/dbraw/zinc/36/59/49/1348365949.db2.gz FEYCRLBKULQFNH-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001381568921 1348366150 /nfs/dbraw/zinc/36/61/50/1348366150.db2.gz FEYCRLBKULQFNH-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001381571259 1348368424 /nfs/dbraw/zinc/36/84/24/1348368424.db2.gz ILJPITAZYXKRRF-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001381602192 1348394899 /nfs/dbraw/zinc/39/48/99/1348394899.db2.gz BYWCZOROBBPHLE-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001381602192 1348394900 /nfs/dbraw/zinc/39/49/00/1348394900.db2.gz BYWCZOROBBPHLE-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO COc1cccc(CN(C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001381615865 1348406011 /nfs/dbraw/zinc/40/60/11/1348406011.db2.gz HIXCTLFUGUPIFA-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001381802463 1348536161 /nfs/dbraw/zinc/53/61/61/1348536161.db2.gz GYOPXORKDFVKDQ-XLIONFOSSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001381802465 1348536357 /nfs/dbraw/zinc/53/63/57/1348536357.db2.gz GYOPXORKDFVKDQ-YLJYHZDGSA-N 1 3 345.531 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001381806517 1348539025 /nfs/dbraw/zinc/53/90/25/1348539025.db2.gz GXAVQKCBDPQODX-DLBZAZTESA-N 1 3 331.504 2.834 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001381806517 1348539029 /nfs/dbraw/zinc/53/90/29/1348539029.db2.gz GXAVQKCBDPQODX-DLBZAZTESA-N 1 3 331.504 2.834 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCC2CCCC2)CC1 ZINC001381983544 1348638645 /nfs/dbraw/zinc/63/86/45/1348638645.db2.gz PMRFVMKUDBBCKQ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCC2CCCC2)CC1 ZINC001381983544 1348638650 /nfs/dbraw/zinc/63/86/50/1348638650.db2.gz PMRFVMKUDBBCKQ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001382070830 1348698325 /nfs/dbraw/zinc/69/83/25/1348698325.db2.gz RAOCBJJNRWLDJV-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1Cl ZINC001382113491 1348733125 /nfs/dbraw/zinc/73/31/25/1348733125.db2.gz BEZQMQVEIRDHGN-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1Cl ZINC001382113499 1348733917 /nfs/dbraw/zinc/73/39/17/1348733917.db2.gz BEZQMQVEIRDHGN-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001382125991 1348746359 /nfs/dbraw/zinc/74/63/59/1348746359.db2.gz DFBLUFZWXKZHTH-WBMJQRKESA-N 1 3 343.874 2.756 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1sccc1Cl)[NH+](C)C ZINC001382155183 1348776303 /nfs/dbraw/zinc/77/63/03/1348776303.db2.gz FMRSHJWXVYOLFD-WFASDCNBSA-N 1 3 345.940 2.924 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001382579857 1349031213 /nfs/dbraw/zinc/03/12/13/1349031213.db2.gz SSAFIRPISTUAOO-HMNJEUTDSA-N 1 3 343.515 2.865 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001382592172 1349039753 /nfs/dbraw/zinc/03/97/53/1349039753.db2.gz YGJAYLIUNCTEIH-NNGSBXSVSA-N 1 3 335.467 2.808 20 0 EFADHO COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001394108360 1357480316 /nfs/dbraw/zinc/48/03/16/1357480316.db2.gz FJKGLZIZZNIILC-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO COc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001394108360 1357480318 /nfs/dbraw/zinc/48/03/18/1357480318.db2.gz FJKGLZIZZNIILC-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001394123009 1357497022 /nfs/dbraw/zinc/49/70/22/1357497022.db2.gz GQRXRAPAHDHTDX-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001394123009 1357497024 /nfs/dbraw/zinc/49/70/24/1357497024.db2.gz GQRXRAPAHDHTDX-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO Cc1ccncc1CN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001394209901 1357600453 /nfs/dbraw/zinc/60/04/53/1357600453.db2.gz IDNONBMZMKONCQ-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001394267180 1357651960 /nfs/dbraw/zinc/65/19/60/1357651960.db2.gz POGOIUDMQYJROR-APWZRJJASA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388643001 1352882236 /nfs/dbraw/zinc/88/22/36/1352882236.db2.gz AIZRZXDVNIBGFJ-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388649294 1352890068 /nfs/dbraw/zinc/89/00/68/1352890068.db2.gz RIFVPIITFWTIRH-GOSISDBHSA-N 1 3 331.504 2.678 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001388680938 1352915723 /nfs/dbraw/zinc/91/57/23/1352915723.db2.gz KPOFYJUXRZCALP-LTDCPUDJSA-N 1 3 349.494 2.957 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001388680941 1352915870 /nfs/dbraw/zinc/91/58/70/1352915870.db2.gz KVTIXLIECKYZBH-KDURUIRLSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001388688481 1352921923 /nfs/dbraw/zinc/92/19/23/1352921923.db2.gz WJEBDNURXBNDMO-CEXWTWQISA-N 1 3 349.494 2.727 20 0 EFADHO CCc1ccccc1CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001394270653 1357655183 /nfs/dbraw/zinc/65/51/83/1357655183.db2.gz ZISUDRYSGLKPTJ-JXFKEZNVSA-N 1 3 345.531 2.568 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)N(C)C ZINC001388722508 1352950531 /nfs/dbraw/zinc/95/05/31/1352950531.db2.gz PHBBSWKHBSSMGX-LSTDLKDCSA-N 1 3 331.504 2.881 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001388723101 1352951135 /nfs/dbraw/zinc/95/11/35/1352951135.db2.gz WQJCHZOARHFQKX-UFYCRDLUSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1F ZINC001388723182 1352951234 /nfs/dbraw/zinc/95/12/34/1352951234.db2.gz AWYILEKAOBBXQV-QAETUUGQSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1F ZINC001388723189 1352951289 /nfs/dbraw/zinc/95/12/89/1352951289.db2.gz AWYILEKAOBBXQV-YYIAUSFCSA-N 1 3 347.478 2.713 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001389348607 1353321944 /nfs/dbraw/zinc/32/19/44/1353321944.db2.gz BGWFRGYKWVVBFC-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001389382990 1353351842 /nfs/dbraw/zinc/35/18/42/1353351842.db2.gz CLYFQLCBHVDZKV-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001389390942 1353359823 /nfs/dbraw/zinc/35/98/23/1353359823.db2.gz UQWDYRXPAVCQJK-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001389504449 1353436995 /nfs/dbraw/zinc/43/69/95/1353436995.db2.gz XTRLRMXUUPNHJT-GOSISDBHSA-N 1 3 331.504 2.842 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C(C)C)C1 ZINC001389504449 1353436997 /nfs/dbraw/zinc/43/69/97/1353436997.db2.gz XTRLRMXUUPNHJT-GOSISDBHSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001389696022 1353561214 /nfs/dbraw/zinc/56/12/14/1353561214.db2.gz ULVBVTILHNMLLQ-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001389799739 1353625832 /nfs/dbraw/zinc/62/58/32/1353625832.db2.gz TWKFRQMNNULJFH-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC001389817642 1353631878 /nfs/dbraw/zinc/63/18/78/1353631878.db2.gz KCSPXKOJQCZIEF-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001389856533 1353650314 /nfs/dbraw/zinc/65/03/14/1353650314.db2.gz NQPCURUWNODOBF-BZSNNMDCSA-N 1 3 329.488 2.859 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001389867159 1353655993 /nfs/dbraw/zinc/65/59/93/1353655993.db2.gz HEVYBNYYRKPHFV-PBWTXFEYSA-N 1 3 329.488 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898965 1353675704 /nfs/dbraw/zinc/67/57/04/1353675704.db2.gz MBPLHTSNUAXHDB-PILAGYSTSA-N 1 3 335.467 2.710 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001390057403 1353772634 /nfs/dbraw/zinc/77/26/34/1353772634.db2.gz FBJJVMOQORXWRM-INIZCTEOSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001390057403 1353772639 /nfs/dbraw/zinc/77/26/39/1353772639.db2.gz FBJJVMOQORXWRM-INIZCTEOSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001390127267 1353833984 /nfs/dbraw/zinc/83/39/84/1353833984.db2.gz LLYPEOFLCCKSFN-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001390405753 1354067214 /nfs/dbraw/zinc/06/72/14/1354067214.db2.gz RLOLJNUNFZGEKG-DYVFJYSZSA-N 1 3 349.906 2.906 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001390488109 1354119920 /nfs/dbraw/zinc/11/99/20/1354119920.db2.gz ZQTWXIBYTBIMKI-AWEZNQCLSA-N 1 3 339.911 2.912 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001390555186 1354168700 /nfs/dbraw/zinc/16/87/00/1354168700.db2.gz BKWMPTVQXOJESM-HNNXBMFYSA-N 1 3 337.895 2.681 20 0 EFADHO CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390630044 1354227369 /nfs/dbraw/zinc/22/73/69/1354227369.db2.gz SFSVIGHVNMCQDI-ROUUACIJSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390630044 1354227372 /nfs/dbraw/zinc/22/73/72/1354227372.db2.gz SFSVIGHVNMCQDI-ROUUACIJSA-N 1 3 325.541 2.932 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001390867797 1354450082 /nfs/dbraw/zinc/45/00/82/1354450082.db2.gz XHNYOUUGNRDGET-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001390867797 1354450086 /nfs/dbraw/zinc/45/00/86/1354450086.db2.gz XHNYOUUGNRDGET-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001391116948 1354819096 /nfs/dbraw/zinc/81/90/96/1354819096.db2.gz ZDXAPDJEQRCANP-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001391116948 1354819101 /nfs/dbraw/zinc/81/91/01/1354819101.db2.gz ZDXAPDJEQRCANP-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)C1 ZINC001391181572 1354910263 /nfs/dbraw/zinc/91/02/63/1354910263.db2.gz DAKQFCNVJFEEQC-INIZCTEOSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)C1 ZINC001391181572 1354910266 /nfs/dbraw/zinc/91/02/66/1354910266.db2.gz DAKQFCNVJFEEQC-INIZCTEOSA-N 1 3 347.478 2.579 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001391201458 1354929646 /nfs/dbraw/zinc/92/96/46/1354929646.db2.gz RLRVYKNEKZAZOT-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001391201458 1354929649 /nfs/dbraw/zinc/92/96/49/1354929649.db2.gz RLRVYKNEKZAZOT-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001391214990 1354939237 /nfs/dbraw/zinc/93/92/37/1354939237.db2.gz JLXCWAFDPMSWIH-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001391309965 1355054271 /nfs/dbraw/zinc/05/42/71/1355054271.db2.gz LBYDINDKZGXVHO-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001391309965 1355054275 /nfs/dbraw/zinc/05/42/75/1355054275.db2.gz LBYDINDKZGXVHO-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001391314152 1355060764 /nfs/dbraw/zinc/06/07/64/1355060764.db2.gz DAJZSOKIPVMIRG-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001391314152 1355060768 /nfs/dbraw/zinc/06/07/68/1355060768.db2.gz DAJZSOKIPVMIRG-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001391321995 1355072328 /nfs/dbraw/zinc/07/23/28/1355072328.db2.gz WPZITCOCCXCYRP-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001391321995 1355072332 /nfs/dbraw/zinc/07/23/32/1355072332.db2.gz WPZITCOCCXCYRP-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001391338174 1355094018 /nfs/dbraw/zinc/09/40/18/1355094018.db2.gz LBALIWBZLVWNKC-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001391338174 1355094020 /nfs/dbraw/zinc/09/40/20/1355094020.db2.gz LBALIWBZLVWNKC-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001391340899 1355096460 /nfs/dbraw/zinc/09/64/60/1355096460.db2.gz QFQFQTAWCQIDIF-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001391340899 1355096463 /nfs/dbraw/zinc/09/64/63/1355096463.db2.gz QFQFQTAWCQIDIF-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001391345141 1355101858 /nfs/dbraw/zinc/10/18/58/1355101858.db2.gz VTOXOBILMZTPRC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCCC2)C1 ZINC001391345141 1355101861 /nfs/dbraw/zinc/10/18/61/1355101861.db2.gz VTOXOBILMZTPRC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001391351072 1355111206 /nfs/dbraw/zinc/11/12/06/1355111206.db2.gz FHBLLGAZIAWLGL-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001391351072 1355111207 /nfs/dbraw/zinc/11/12/07/1355111207.db2.gz FHBLLGAZIAWLGL-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001391356346 1355118265 /nfs/dbraw/zinc/11/82/65/1355118265.db2.gz UNVXELSGZLWTDN-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001391356346 1355118269 /nfs/dbraw/zinc/11/82/69/1355118269.db2.gz UNVXELSGZLWTDN-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365063 1355132073 /nfs/dbraw/zinc/13/20/73/1355132073.db2.gz WGZANGJSFBQSKU-APWZRJJASA-N 1 3 340.471 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365063 1355132077 /nfs/dbraw/zinc/13/20/77/1355132077.db2.gz WGZANGJSFBQSKU-APWZRJJASA-N 1 3 340.471 2.884 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391384786 1355154428 /nfs/dbraw/zinc/15/44/28/1355154428.db2.gz SUQDDHIIDOJXBY-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391384786 1355154431 /nfs/dbraw/zinc/15/44/31/1355154431.db2.gz SUQDDHIIDOJXBY-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391523113 1355273238 /nfs/dbraw/zinc/27/32/38/1355273238.db2.gz IYBFFKQNNZPCII-GOSISDBHSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391619839 1355363282 /nfs/dbraw/zinc/36/32/82/1355363282.db2.gz POWGEHNWNCAVMB-ICSRJNTNSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391619839 1355363285 /nfs/dbraw/zinc/36/32/85/1355363285.db2.gz POWGEHNWNCAVMB-ICSRJNTNSA-N 1 3 345.531 2.922 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001391629993 1355375968 /nfs/dbraw/zinc/37/59/68/1355375968.db2.gz ICGSBPZKNNXBRE-LJQANCHMSA-N 1 3 343.515 2.624 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001391720298 1355463364 /nfs/dbraw/zinc/46/33/64/1355463364.db2.gz JOYMAVGWFCVYJW-ZBFHGGJFSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001399954272 1361605857 /nfs/dbraw/zinc/60/58/57/1361605857.db2.gz WXJXYZOUQIIFBW-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001399954272 1361605869 /nfs/dbraw/zinc/60/58/69/1361605869.db2.gz WXJXYZOUQIIFBW-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1sccc1Cl ZINC001391747082 1355492018 /nfs/dbraw/zinc/49/20/18/1355492018.db2.gz YZBIYELWCVLTGN-SWLSCSKDSA-N 1 3 345.940 2.972 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001391865571 1355605035 /nfs/dbraw/zinc/60/50/35/1355605035.db2.gz AQEOAUWZHGXBFI-WTKPLQERSA-N 1 3 341.927 2.785 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC2(CCN(C/C=C\Cl)C2)CC1 ZINC001391865571 1355605036 /nfs/dbraw/zinc/60/50/36/1355605036.db2.gz AQEOAUWZHGXBFI-WTKPLQERSA-N 1 3 341.927 2.785 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001391874081 1355612925 /nfs/dbraw/zinc/61/29/25/1355612925.db2.gz YCCDBFXJAJDCBI-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001391874081 1355612929 /nfs/dbraw/zinc/61/29/29/1355612929.db2.gz YCCDBFXJAJDCBI-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001391973418 1355692601 /nfs/dbraw/zinc/69/26/01/1355692601.db2.gz XFTNEMIPXIRSKV-LBPRGKRZSA-N 1 3 348.878 2.765 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCc2cccs2)CC1 ZINC001400238283 1361873806 /nfs/dbraw/zinc/87/38/06/1361873806.db2.gz JTTIIOJNZKDDMY-GOSISDBHSA-N 1 3 349.544 2.555 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCc2cccs2)CC1 ZINC001400238283 1361873810 /nfs/dbraw/zinc/87/38/10/1361873810.db2.gz JTTIIOJNZKDDMY-GOSISDBHSA-N 1 3 349.544 2.555 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2cccnc2)CCCC1)CC(C)(C)C ZINC001392017653 1355719270 /nfs/dbraw/zinc/71/92/70/1355719270.db2.gz KYTCXVNRKANFQV-UHFFFAOYSA-N 1 3 346.519 2.578 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCC1)N(C)C ZINC001392020184 1355720354 /nfs/dbraw/zinc/72/03/54/1355720354.db2.gz FJKMLXDSMYNHLS-SFHVURJKSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392069618 1355747779 /nfs/dbraw/zinc/74/77/79/1355747779.db2.gz DGAXNBFEPDUMCV-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001392136574 1355794643 /nfs/dbraw/zinc/79/46/43/1355794643.db2.gz WKCBXTKTBMUZRA-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@@H](C)C1 ZINC001392178604 1355832132 /nfs/dbraw/zinc/83/21/32/1355832132.db2.gz IZXBGFYKCUWLBA-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001392187597 1355842542 /nfs/dbraw/zinc/84/25/42/1355842542.db2.gz YWIDZVQSQLLZMP-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)C)N(C)C ZINC001392232518 1355887698 /nfs/dbraw/zinc/88/76/98/1355887698.db2.gz HBWOFVDVDFFDOR-KBPBESRZSA-N 1 3 345.940 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)C)N(C)C ZINC001392241973 1355898279 /nfs/dbraw/zinc/89/82/79/1355898279.db2.gz FMXOJLQAZUDVHC-IRXDYDNUSA-N 1 3 341.446 2.535 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001392288504 1355944725 /nfs/dbraw/zinc/94/47/25/1355944725.db2.gz LIRXWAYGXFHGEK-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CCc1ccccc1Cl)N(C)C ZINC001392315533 1355974882 /nfs/dbraw/zinc/97/48/82/1355974882.db2.gz RNZSFRHTVOODDK-KRWDZBQOSA-N 1 3 339.911 2.613 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CCc1ccccc1Cl)N(C)C ZINC001392315533 1355974885 /nfs/dbraw/zinc/97/48/85/1355974885.db2.gz RNZSFRHTVOODDK-KRWDZBQOSA-N 1 3 339.911 2.613 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC001392337456 1356004463 /nfs/dbraw/zinc/00/44/63/1356004463.db2.gz KUGVAMLEAFRIFL-APWZRJJASA-N 1 3 347.478 2.685 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001392339292 1356006487 /nfs/dbraw/zinc/00/64/87/1356006487.db2.gz MNFRIKPOQFPFOL-HKUYNNGSSA-N 1 3 329.488 2.545 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)C1 ZINC001392350816 1356014191 /nfs/dbraw/zinc/01/41/91/1356014191.db2.gz RUTICRPLZMBEMR-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)CN1CC[C@H](C)C1 ZINC001392451576 1356047475 /nfs/dbraw/zinc/04/74/75/1356047475.db2.gz BBIMWLDRNZVIND-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001392492379 1356072833 /nfs/dbraw/zinc/07/28/33/1356072833.db2.gz OGQBLXCAZMOLLN-CQSZACIVSA-N 1 3 335.879 2.563 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001392512183 1356088016 /nfs/dbraw/zinc/08/80/16/1356088016.db2.gz OYQJTOCXWGWJPN-CABCVRRESA-N 1 3 337.483 2.959 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001392591388 1356142524 /nfs/dbraw/zinc/14/25/24/1356142524.db2.gz JBFWSZUWKVSXKE-HNNXBMFYSA-N 1 3 337.483 2.706 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001392597778 1356148673 /nfs/dbraw/zinc/14/86/73/1356148673.db2.gz LCQFKZKOWRNCMV-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1cccc(Cl)c1F)[NH+](C)C ZINC001392600523 1356151247 /nfs/dbraw/zinc/15/12/47/1356151247.db2.gz UALBRPBSIKZAAL-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001392606855 1356155624 /nfs/dbraw/zinc/15/56/24/1356155624.db2.gz WIURJZBCNOBZFU-HNNXBMFYSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660368 1356206865 /nfs/dbraw/zinc/20/68/65/1356206865.db2.gz LOPDJAWHRTUZTP-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660368 1356206869 /nfs/dbraw/zinc/20/68/69/1356206869.db2.gz LOPDJAWHRTUZTP-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001392687189 1356237681 /nfs/dbraw/zinc/23/76/81/1356237681.db2.gz QHJNNTGYFQNZEU-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001392687189 1356237685 /nfs/dbraw/zinc/23/76/85/1356237685.db2.gz QHJNNTGYFQNZEU-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@H](CN(C)CCc1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001392706601 1356259796 /nfs/dbraw/zinc/25/97/96/1356259796.db2.gz VMNWHQBIYAFEPX-INIZCTEOSA-N 1 3 349.494 2.537 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001392773085 1356314595 /nfs/dbraw/zinc/31/45/95/1356314595.db2.gz JNXNGBYUPBVKCN-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001392775616 1356316472 /nfs/dbraw/zinc/31/64/72/1356316472.db2.gz OSRPSMJMGPHEHR-UXHICEINSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392873328 1356396511 /nfs/dbraw/zinc/39/65/11/1356396511.db2.gz ZHPMDRUESXUWFN-IEBWSBKVSA-N 1 3 343.515 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001392991839 1356496740 /nfs/dbraw/zinc/49/67/40/1356496740.db2.gz NZYYDYYULRWOHD-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3C)C2)C1 ZINC001392991839 1356496746 /nfs/dbraw/zinc/49/67/46/1356496746.db2.gz NZYYDYYULRWOHD-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001393061221 1356547139 /nfs/dbraw/zinc/54/71/39/1356547139.db2.gz FIPODYRFVGWVFB-GOSISDBHSA-N 1 3 349.494 2.837 20 0 EFADHO C[NH+](C)CCCC(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001393068024 1356555442 /nfs/dbraw/zinc/55/54/42/1356555442.db2.gz MUOIDEFRMLLKIF-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001402084455 1363389047 /nfs/dbraw/zinc/38/90/47/1363389047.db2.gz GOEBNPWEIYSQHV-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001393411827 1356827566 /nfs/dbraw/zinc/82/75/66/1356827566.db2.gz FMYZJHVGFBMMAJ-GBESFXJTSA-N 1 3 343.515 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001393411827 1356827597 /nfs/dbraw/zinc/82/75/97/1356827597.db2.gz FMYZJHVGFBMMAJ-GBESFXJTSA-N 1 3 343.515 2.788 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NCC1(NC/C=C/Cl)CCC1 ZINC001393550719 1356941310 /nfs/dbraw/zinc/94/13/10/1356941310.db2.gz XMFMILHHSFCGGL-WUXMJOGZSA-N 1 3 349.906 2.785 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]CC2CCC(F)(F)CC2)CCC1 ZINC001393562487 1356951289 /nfs/dbraw/zinc/95/12/89/1356951289.db2.gz JSTDPYFCBBOGFJ-UHFFFAOYSA-N 1 3 345.478 2.782 20 0 EFADHO Cc1ccc(CC[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)cc1 ZINC001393568227 1356957559 /nfs/dbraw/zinc/95/75/59/1356957559.db2.gz WIRNCDCWKZGPLX-IBGZPJMESA-N 1 3 345.531 2.752 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001393593387 1356973557 /nfs/dbraw/zinc/97/35/57/1356973557.db2.gz BBGHLAWEWLUBCZ-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001393593387 1356973560 /nfs/dbraw/zinc/97/35/60/1356973560.db2.gz BBGHLAWEWLUBCZ-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001393593392 1356973594 /nfs/dbraw/zinc/97/35/94/1356973594.db2.gz BBGHLAWEWLUBCZ-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001393593392 1356973598 /nfs/dbraw/zinc/97/35/98/1356973598.db2.gz BBGHLAWEWLUBCZ-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001393594716 1356974743 /nfs/dbraw/zinc/97/47/43/1356974743.db2.gz FNHVPKCUQINWMP-FQEVSTJZSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001393594716 1356974749 /nfs/dbraw/zinc/97/47/49/1356974749.db2.gz FNHVPKCUQINWMP-FQEVSTJZSA-N 1 3 345.531 2.932 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001393619996 1357008817 /nfs/dbraw/zinc/00/88/17/1357008817.db2.gz DUPJVKGXHRPANO-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001393619996 1357008822 /nfs/dbraw/zinc/00/88/22/1357008822.db2.gz DUPJVKGXHRPANO-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001393645655 1357047833 /nfs/dbraw/zinc/04/78/33/1357047833.db2.gz ZYFIXDVLTDUUQB-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001393645655 1357047839 /nfs/dbraw/zinc/04/78/39/1357047839.db2.gz ZYFIXDVLTDUUQB-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001394385602 1357757918 /nfs/dbraw/zinc/75/79/18/1357757918.db2.gz FFBOWXUCUYFZCS-GEZBDVBVSA-N 1 3 327.900 2.535 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001394385602 1357757921 /nfs/dbraw/zinc/75/79/21/1357757921.db2.gz FFBOWXUCUYFZCS-GEZBDVBVSA-N 1 3 327.900 2.535 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]CC2CCCCC2)C2CC2)CCC1 ZINC001394424636 1357801400 /nfs/dbraw/zinc/80/14/00/1357801400.db2.gz BYCIUICGKZZCIL-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001436762275 1387291713 /nfs/dbraw/zinc/29/17/13/1387291713.db2.gz RUHFXLCOHNQTQX-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C2CC2)CCC1 ZINC001394432047 1357809444 /nfs/dbraw/zinc/80/94/44/1357809444.db2.gz MDOLVQZAFXQOME-SFHVURJKSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001394432253 1357811009 /nfs/dbraw/zinc/81/10/09/1357811009.db2.gz NRSMIKBFNWUUTM-IBGZPJMESA-N 1 3 343.515 2.806 20 0 EFADHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001436762278 1387292036 /nfs/dbraw/zinc/29/20/36/1387292036.db2.gz RUHFXLCOHNQTQX-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001394497210 1357879180 /nfs/dbraw/zinc/87/91/80/1357879180.db2.gz NZISVKJQVDCRCT-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001394537545 1357923286 /nfs/dbraw/zinc/92/32/86/1357923286.db2.gz GCUIHXVLQQJHDM-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394669636 1357986392 /nfs/dbraw/zinc/98/63/92/1357986392.db2.gz MVYKOMHZOAEISC-CRAIPNDOSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1C)C(C)(C)C)N(C)C ZINC001394828783 1358128027 /nfs/dbraw/zinc/12/80/27/1358128027.db2.gz GROFBTCMLGQPHY-ZWKOTPCHSA-N 1 3 333.520 2.956 20 0 EFADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)CN(C)C2CCC2)c(F)c1 ZINC001394865204 1358173343 /nfs/dbraw/zinc/17/33/43/1358173343.db2.gz BPCIGHWSDAVPME-UHFFFAOYSA-N 1 3 335.467 2.672 20 0 EFADHO CC[C@H]([NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001436842467 1387331940 /nfs/dbraw/zinc/33/19/40/1387331940.db2.gz SXMCRAKNMRTKSI-HKUYNNGSSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2)C1)N(C)C ZINC001397054493 1359639010 /nfs/dbraw/zinc/63/90/10/1359639010.db2.gz BPQXHNNARSSFQS-WZGPROSRSA-N 1 3 331.504 2.962 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001397072280 1359650386 /nfs/dbraw/zinc/65/03/86/1359650386.db2.gz AGDYCBANPGUYAS-QRQLOZEOSA-N 1 3 335.536 2.783 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397093822 1359671074 /nfs/dbraw/zinc/67/10/74/1359671074.db2.gz DUBMQPRDMKKIKS-LBTBCDHLSA-N 1 3 335.467 2.711 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001397095648 1359672520 /nfs/dbraw/zinc/67/25/20/1359672520.db2.gz HWKITCXLOYVIRC-RLFYNMQTSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001397122338 1359688377 /nfs/dbraw/zinc/68/83/77/1359688377.db2.gz NENQBZKFXYBYJX-SNRMKQJTSA-N 1 3 349.494 2.705 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001397128797 1359691929 /nfs/dbraw/zinc/69/19/29/1359691929.db2.gz AJOOWTGSVMCROT-FHWLQOOXSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001437139766 1387411998 /nfs/dbraw/zinc/41/19/98/1387411998.db2.gz ZEMAAGXNQFYCOP-MRXNPFEDSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3)CC[C@@H]2C1 ZINC001397218914 1359759508 /nfs/dbraw/zinc/75/95/08/1359759508.db2.gz PFWOSTROJPGTSZ-RLLQIKCJSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)CC[C@@H]2C1 ZINC001397218914 1359759510 /nfs/dbraw/zinc/75/95/10/1359759510.db2.gz PFWOSTROJPGTSZ-RLLQIKCJSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC001397618189 1360006828 /nfs/dbraw/zinc/00/68/28/1360006828.db2.gz BMHHCLSRFUQRQJ-QANKJYHBSA-N 1 3 349.544 2.691 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001397636359 1360018706 /nfs/dbraw/zinc/01/87/06/1360018706.db2.gz UBBZLYGQZLSIOA-MTNOOBJLSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001397638291 1360019857 /nfs/dbraw/zinc/01/98/57/1360019857.db2.gz XPSYNZNEHSQLPZ-IUVQAAGXSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001398192017 1360368129 /nfs/dbraw/zinc/36/81/29/1360368129.db2.gz CRFCAKACTSWRSE-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO C[C@@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001398204213 1360377301 /nfs/dbraw/zinc/37/73/01/1360377301.db2.gz KLMXFYUNJDVLLL-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001398328281 1360466149 /nfs/dbraw/zinc/46/61/49/1360466149.db2.gz IBADHBRJDJARSI-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001398369857 1360491590 /nfs/dbraw/zinc/49/15/90/1360491590.db2.gz ZRIIBVXWNYMOIK-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2)N(C)C ZINC001398370783 1360492009 /nfs/dbraw/zinc/49/20/09/1360492009.db2.gz UWJJTHJXLOWJJZ-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001398404305 1360523226 /nfs/dbraw/zinc/52/32/26/1360523226.db2.gz KMBRLPOYKMVGGB-IBGZPJMESA-N 1 3 343.515 2.506 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001398456324 1360574579 /nfs/dbraw/zinc/57/45/79/1360574579.db2.gz JYLJWOQPKOCZBP-QGZVFWFLSA-N 1 3 349.494 2.544 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2F)C1)CC(C)(C)C ZINC001398550332 1360639816 /nfs/dbraw/zinc/63/98/16/1360639816.db2.gz AFKMSEQUQUZTPO-QAQDUYKDSA-N 1 3 349.494 2.583 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001398559520 1360645199 /nfs/dbraw/zinc/64/51/99/1360645199.db2.gz DPLBPLDTXCYSPG-MKXGPGLRSA-N 1 3 331.504 2.961 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001398561986 1360647503 /nfs/dbraw/zinc/64/75/03/1360647503.db2.gz VNELJFZJLIXQFA-IYARVYRRSA-N 1 3 347.478 2.829 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001437206720 1387469519 /nfs/dbraw/zinc/46/95/19/1387469519.db2.gz MCHNHPPHUMMZIF-LBPRGKRZSA-N 1 3 345.940 2.974 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001398709781 1360735875 /nfs/dbraw/zinc/73/58/75/1360735875.db2.gz XDNRZWWJXYWRDU-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001398709781 1360735878 /nfs/dbraw/zinc/73/58/78/1360735878.db2.gz XDNRZWWJXYWRDU-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001398742204 1360756462 /nfs/dbraw/zinc/75/64/62/1360756462.db2.gz NLMMOAGQCBEZGD-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786893 1360790757 /nfs/dbraw/zinc/79/07/57/1360790757.db2.gz CZNXZXLJTKAODB-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786893 1360790763 /nfs/dbraw/zinc/79/07/63/1360790763.db2.gz CZNXZXLJTKAODB-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc2ccccc21 ZINC001398939296 1360883323 /nfs/dbraw/zinc/88/33/23/1360883323.db2.gz FMDZVRDEHXRTIX-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001398956074 1360894382 /nfs/dbraw/zinc/89/43/82/1360894382.db2.gz TTYNOXLDEQYNOY-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(CN(C)C)c2)c1 ZINC001399177640 1361050471 /nfs/dbraw/zinc/05/04/71/1361050471.db2.gz ZHTHVLOHICSSSV-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)c2cccc(CN(C)C)c2)c1 ZINC001399177648 1361050569 /nfs/dbraw/zinc/05/05/69/1361050569.db2.gz ZHTHVLOHICSSSV-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001399275035 1361116436 /nfs/dbraw/zinc/11/64/36/1361116436.db2.gz ABHSNRRPTYENGR-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001399275035 1361116437 /nfs/dbraw/zinc/11/64/37/1361116437.db2.gz ABHSNRRPTYENGR-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001399280098 1361121741 /nfs/dbraw/zinc/12/17/41/1361121741.db2.gz JYNAQYJPWFNDEC-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001399280098 1361121745 /nfs/dbraw/zinc/12/17/45/1361121745.db2.gz JYNAQYJPWFNDEC-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001399414918 1361207209 /nfs/dbraw/zinc/20/72/09/1361207209.db2.gz FTLQUPRUDUHZSK-HNNXBMFYSA-N 1 3 328.460 2.562 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399483077 1361266254 /nfs/dbraw/zinc/26/62/54/1361266254.db2.gz MKVXWXRZKOMKMP-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399483077 1361266256 /nfs/dbraw/zinc/26/62/56/1361266256.db2.gz MKVXWXRZKOMKMP-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001399577763 1361345976 /nfs/dbraw/zinc/34/59/76/1361345976.db2.gz RXYVFYKQIPZYFE-IBGZPJMESA-N 1 3 327.472 2.728 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001399577763 1361345978 /nfs/dbraw/zinc/34/59/78/1361345978.db2.gz RXYVFYKQIPZYFE-IBGZPJMESA-N 1 3 327.472 2.728 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC001399628648 1361385103 /nfs/dbraw/zinc/38/51/03/1361385103.db2.gz DDQJNJKDUDNYML-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001399628648 1361385107 /nfs/dbraw/zinc/38/51/07/1361385107.db2.gz DDQJNJKDUDNYML-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399634061 1361390017 /nfs/dbraw/zinc/39/00/17/1361390017.db2.gz DZQSBRBEBIMOAX-RTBURBONSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399634061 1361390021 /nfs/dbraw/zinc/39/00/21/1361390021.db2.gz DZQSBRBEBIMOAX-RTBURBONSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399634055 1361390034 /nfs/dbraw/zinc/39/00/34/1361390034.db2.gz DZQSBRBEBIMOAX-MOPGFXCFSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399634055 1361390036 /nfs/dbraw/zinc/39/00/36/1361390036.db2.gz DZQSBRBEBIMOAX-MOPGFXCFSA-N 1 3 331.504 2.698 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cccc(C)c1 ZINC001399766120 1361486919 /nfs/dbraw/zinc/48/69/19/1361486919.db2.gz NQLADOXMTASSNW-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cccc(C)c1 ZINC001399766120 1361486922 /nfs/dbraw/zinc/48/69/22/1361486922.db2.gz NQLADOXMTASSNW-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)c1cccc(Cl)c1 ZINC001399829160 1361521580 /nfs/dbraw/zinc/52/15/80/1361521580.db2.gz QFMRQDVTFQDDGP-ZBFHGGJFSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)c1cccc(Cl)c1 ZINC001399829160 1361521582 /nfs/dbraw/zinc/52/15/82/1361521582.db2.gz QFMRQDVTFQDDGP-ZBFHGGJFSA-N 1 3 337.895 2.791 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001399918193 1361575356 /nfs/dbraw/zinc/57/53/56/1361575356.db2.gz UXYABAFXCRIFSK-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001399918193 1361575360 /nfs/dbraw/zinc/57/53/60/1361575360.db2.gz UXYABAFXCRIFSK-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001399921189 1361577623 /nfs/dbraw/zinc/57/76/23/1361577623.db2.gz YPVAZSOEXGMCEP-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001399921189 1361577626 /nfs/dbraw/zinc/57/76/26/1361577626.db2.gz YPVAZSOEXGMCEP-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001400073018 1361713794 /nfs/dbraw/zinc/71/37/94/1361713794.db2.gz VOBLREYYJHDXCU-OAHLLOKOSA-N 1 3 337.483 2.913 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001400075880 1361715954 /nfs/dbraw/zinc/71/59/54/1361715954.db2.gz AXZABAUUBTYEOY-SFHVURJKSA-N 1 3 345.531 2.788 20 0 EFADHO CC[NH2+][C@@H](CNC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC001400078103 1361717850 /nfs/dbraw/zinc/71/78/50/1361717850.db2.gz DDOMSOBHCUKIEA-IBGZPJMESA-N 1 3 325.456 2.829 20 0 EFADHO CC[NH2+][C@H](CNC(=O)c1cccc(CN(C)C)c1)c1ccccc1 ZINC001400078108 1361718254 /nfs/dbraw/zinc/71/82/54/1361718254.db2.gz DDOMSOBHCUKIEA-LJQANCHMSA-N 1 3 325.456 2.829 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157019 1361793835 /nfs/dbraw/zinc/79/38/35/1361793835.db2.gz VJLYJVHOYQTVFW-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157019 1361793839 /nfs/dbraw/zinc/79/38/39/1361793839.db2.gz VJLYJVHOYQTVFW-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001400182133 1361821391 /nfs/dbraw/zinc/82/13/91/1361821391.db2.gz HQRVVJSEYZTAHW-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001400182133 1361821395 /nfs/dbraw/zinc/82/13/95/1361821395.db2.gz HQRVVJSEYZTAHW-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1)CC(C)(C)C ZINC001400248445 1361882760 /nfs/dbraw/zinc/88/27/60/1361882760.db2.gz RCUNXIGAOZOFOX-RMKNXTFCSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1)CC(C)(C)C ZINC001400248445 1361882764 /nfs/dbraw/zinc/88/27/64/1361882764.db2.gz RCUNXIGAOZOFOX-RMKNXTFCSA-N 1 3 343.943 2.887 20 0 EFADHO Cc1cccc(C)c1CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400290929 1361910424 /nfs/dbraw/zinc/91/04/24/1361910424.db2.gz WRQUXVIRRLOKFA-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)C1 ZINC001400506557 1362002488 /nfs/dbraw/zinc/00/24/88/1362002488.db2.gz LAFLQLBUPWXKOW-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCN(CCCF)C1 ZINC001400745320 1362137326 /nfs/dbraw/zinc/13/73/26/1362137326.db2.gz SRNJVUYBPKCNOF-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO CCc1ccc(C[NH2+][C@H](CC)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001400810579 1362177802 /nfs/dbraw/zinc/17/78/02/1362177802.db2.gz GYELUXXBZKFIOB-GOSISDBHSA-N 1 3 331.504 2.718 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001400812610 1362179149 /nfs/dbraw/zinc/17/91/49/1362179149.db2.gz KOQZBKNMOHHWOY-YOEHRIQHSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001400814678 1362180100 /nfs/dbraw/zinc/18/01/00/1362180100.db2.gz QPOLTVRMIOPCPB-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001400857666 1362215745 /nfs/dbraw/zinc/21/57/45/1362215745.db2.gz HCDSMOVCEDJFNM-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001400903447 1362244153 /nfs/dbraw/zinc/24/41/53/1362244153.db2.gz JTPLEUITDKUWOZ-GJZGRUSLSA-N 1 3 333.467 2.637 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001400934425 1362275101 /nfs/dbraw/zinc/27/51/01/1362275101.db2.gz PDJCPLSZYJWCKX-DOMZBBRYSA-N 1 3 345.940 2.972 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001437341213 1387564300 /nfs/dbraw/zinc/56/43/00/1387564300.db2.gz ZCOPVVKBWXGKHZ-DLBZAZTESA-N 1 3 337.533 2.915 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001437345282 1387568551 /nfs/dbraw/zinc/56/85/51/1387568551.db2.gz CMDIFECTWHXRMU-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001437345282 1387568563 /nfs/dbraw/zinc/56/85/63/1387568563.db2.gz CMDIFECTWHXRMU-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401140711 1362476562 /nfs/dbraw/zinc/47/65/62/1362476562.db2.gz VMRRXSOGHVOZEA-CZUORRHYSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401148039 1362485040 /nfs/dbraw/zinc/48/50/40/1362485040.db2.gz VOAYJGDDCOZFKM-KDOFPFPSSA-N 1 3 337.483 2.562 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCC1)N(C)C ZINC001401182647 1362519431 /nfs/dbraw/zinc/51/94/31/1362519431.db2.gz IMBAKBDNFUOUIP-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401220525 1362559153 /nfs/dbraw/zinc/55/91/53/1362559153.db2.gz MSSNIRTUHVEHJD-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401221410 1362560261 /nfs/dbraw/zinc/56/02/61/1362560261.db2.gz QGPVKPBRCLXBRO-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001401266678 1362607337 /nfs/dbraw/zinc/60/73/37/1362607337.db2.gz NDVKXNVWZFNVQY-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1 ZINC001401311155 1362660137 /nfs/dbraw/zinc/66/01/37/1362660137.db2.gz VTTMXFUZWGLBAW-WEVVVXLNSA-N 1 3 329.916 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1 ZINC001401311155 1362660141 /nfs/dbraw/zinc/66/01/41/1362660141.db2.gz VTTMXFUZWGLBAW-WEVVVXLNSA-N 1 3 329.916 2.641 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C(C)C)cc1F ZINC001401327905 1362674053 /nfs/dbraw/zinc/67/40/53/1362674053.db2.gz ANLRMEQHQSYWJF-IBGZPJMESA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001401381973 1362734214 /nfs/dbraw/zinc/73/42/14/1362734214.db2.gz FISWZKMAOCRFOB-KRWDZBQOSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001401381973 1362734215 /nfs/dbraw/zinc/73/42/15/1362734215.db2.gz FISWZKMAOCRFOB-KRWDZBQOSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)cc1Cl ZINC001437375820 1387591973 /nfs/dbraw/zinc/59/19/73/1387591973.db2.gz OXJUOSOVJGLBSQ-MLGOLLRUSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1cccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001401442102 1362813003 /nfs/dbraw/zinc/81/30/03/1362813003.db2.gz SCULXBYJFSTRNT-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)cc1F ZINC001437379566 1387593814 /nfs/dbraw/zinc/59/38/14/1387593814.db2.gz JEOSHJPMFOPYMS-OAHLLOKOSA-N 1 3 335.467 2.603 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001401484583 1362876694 /nfs/dbraw/zinc/87/66/94/1362876694.db2.gz GZZOJZXYAMCHGK-LPHOPBHVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC2CCC2)C1 ZINC001401491308 1362883267 /nfs/dbraw/zinc/88/32/67/1362883267.db2.gz LZGZRLDGHBIPAT-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCC2CCC2)C1 ZINC001401491308 1362883270 /nfs/dbraw/zinc/88/32/70/1362883270.db2.gz LZGZRLDGHBIPAT-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001401600034 1362962239 /nfs/dbraw/zinc/96/22/39/1362962239.db2.gz JXALBDIPQDEGSB-CHWSQXEVSA-N 1 3 332.423 2.645 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC001401606669 1362967502 /nfs/dbraw/zinc/96/75/02/1362967502.db2.gz KSCNJYMPHMPDMH-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767923 1363104592 /nfs/dbraw/zinc/10/45/92/1363104592.db2.gz LVGHYUFOHUEKCH-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767923 1363104595 /nfs/dbraw/zinc/10/45/95/1363104595.db2.gz LVGHYUFOHUEKCH-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401767927 1363104747 /nfs/dbraw/zinc/10/47/47/1363104747.db2.gz LVGHYUFOHUEKCH-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401767927 1363104749 /nfs/dbraw/zinc/10/47/49/1363104749.db2.gz LVGHYUFOHUEKCH-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769747 1363106311 /nfs/dbraw/zinc/10/63/11/1363106311.db2.gz NFGMLVGEAXJNDV-UEICXMAYSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769747 1363106315 /nfs/dbraw/zinc/10/63/15/1363106315.db2.gz NFGMLVGEAXJNDV-UEICXMAYSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001401772272 1363110238 /nfs/dbraw/zinc/11/02/38/1363110238.db2.gz BPQDGTYQTHMBJY-QGZVFWFLSA-N 1 3 333.520 2.644 20 0 EFADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001401772272 1363110242 /nfs/dbraw/zinc/11/02/42/1363110242.db2.gz BPQDGTYQTHMBJY-QGZVFWFLSA-N 1 3 333.520 2.644 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001401775733 1363114508 /nfs/dbraw/zinc/11/45/08/1363114508.db2.gz DMJBXQXYBIXSEZ-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785085 1363126806 /nfs/dbraw/zinc/12/68/06/1363126806.db2.gz RDATUVABIQQDPD-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785085 1363126809 /nfs/dbraw/zinc/12/68/09/1363126809.db2.gz RDATUVABIQQDPD-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401787551 1363129306 /nfs/dbraw/zinc/12/93/06/1363129306.db2.gz QPWDNLJHVRQHCY-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800573 1363146792 /nfs/dbraw/zinc/14/67/92/1363146792.db2.gz REJMFAXOGYUDDA-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800573 1363146794 /nfs/dbraw/zinc/14/67/94/1363146794.db2.gz REJMFAXOGYUDDA-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@H](CC)C1 ZINC001401879534 1363209930 /nfs/dbraw/zinc/20/99/30/1363209930.db2.gz QMKJKORHAJTSNR-IEBWSBKVSA-N 1 3 349.494 2.884 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CC/C=C/c2ccccc2)CC1 ZINC001401907591 1363232136 /nfs/dbraw/zinc/23/21/36/1363232136.db2.gz UDYFOJXFCLBHTF-MVHVFESUSA-N 1 3 341.499 2.622 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CC1 ZINC001401950602 1363269498 /nfs/dbraw/zinc/26/94/98/1363269498.db2.gz LBZWHHZQFFKPRY-LJQANCHMSA-N 1 3 343.515 2.650 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001401951270 1363270552 /nfs/dbraw/zinc/27/05/52/1363270552.db2.gz ZJDVQYOUKIEMSJ-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCC(F)(F)CC2)CC1)N(C)C ZINC001401966006 1363283662 /nfs/dbraw/zinc/28/36/62/1363283662.db2.gz RMEUTJMWRPZMSK-OAHLLOKOSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001401971225 1363287304 /nfs/dbraw/zinc/28/73/04/1363287304.db2.gz RXKRVELSBBDGBT-GOSISDBHSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC001401976522 1363292748 /nfs/dbraw/zinc/29/27/48/1363292748.db2.gz FCJOWLAIFUSXJS-LJQANCHMSA-N 1 3 345.531 2.936 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001402054844 1363362277 /nfs/dbraw/zinc/36/22/77/1363362277.db2.gz KNKJVCJGIZHXBA-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001402160293 1363468123 /nfs/dbraw/zinc/46/81/23/1363468123.db2.gz QSYGDRRWBLURMM-ICSRJNTNSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001402173215 1363480624 /nfs/dbraw/zinc/48/06/24/1363480624.db2.gz LTQOWKFJTFCKID-QUCCMNQESA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001402181837 1363488561 /nfs/dbraw/zinc/48/85/61/1363488561.db2.gz ULOFOZVDVWBBKP-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(C)c1)CC2 ZINC001402231228 1363552332 /nfs/dbraw/zinc/55/23/32/1363552332.db2.gz JANQMPUYNJCXEI-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001402248806 1363568797 /nfs/dbraw/zinc/56/87/97/1363568797.db2.gz KFRXKLQDTOVXOU-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C ZINC001437423026 1387632926 /nfs/dbraw/zinc/63/29/26/1387632926.db2.gz UKHLMJSBNMYACQ-CQSZACIVSA-N 1 3 328.460 2.508 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402407160 1363666025 /nfs/dbraw/zinc/66/60/25/1363666025.db2.gz NMRKFBWNBCOHPW-RCMYXZNBSA-N 1 3 341.927 2.785 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001402451241 1363701411 /nfs/dbraw/zinc/70/14/11/1363701411.db2.gz IZGLTGWPKRUQCK-IBGZPJMESA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)CC1 ZINC001402507755 1363749644 /nfs/dbraw/zinc/74/96/44/1363749644.db2.gz QCUQOUVISXUGFI-SAABIXHNSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]C/C=C/Cl)CCC1)N1CCCCCC1 ZINC001402568852 1363797060 /nfs/dbraw/zinc/79/70/60/1363797060.db2.gz CZRDGBSIPYNJFG-VSGCLNPGSA-N 1 3 327.900 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001402616308 1363838126 /nfs/dbraw/zinc/83/81/26/1363838126.db2.gz QJTOAQVPFTYNSA-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001402616308 1363838128 /nfs/dbraw/zinc/83/81/28/1363838128.db2.gz QJTOAQVPFTYNSA-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1ccncc1CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001402637882 1363868537 /nfs/dbraw/zinc/86/85/37/1363868537.db2.gz LOCOLAZKTDRDEE-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO Cc1ccncc1CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001402637882 1363868544 /nfs/dbraw/zinc/86/85/44/1363868544.db2.gz LOCOLAZKTDRDEE-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO Cc1ccc(F)cc1CN1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001402662067 1363904521 /nfs/dbraw/zinc/90/45/21/1363904521.db2.gz HIXWYBRSSNWADH-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001402666563 1363911783 /nfs/dbraw/zinc/91/17/83/1363911783.db2.gz KZNCGDXYAMIMNA-UHFFFAOYSA-N 1 3 345.478 2.544 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001402666563 1363911788 /nfs/dbraw/zinc/91/17/88/1363911788.db2.gz KZNCGDXYAMIMNA-UHFFFAOYSA-N 1 3 345.478 2.544 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001402696231 1363943588 /nfs/dbraw/zinc/94/35/88/1363943588.db2.gz QRVURCDAECNYCW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001402696231 1363943594 /nfs/dbraw/zinc/94/35/94/1363943594.db2.gz QRVURCDAECNYCW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CCC1CC1)C2 ZINC001402751565 1363999302 /nfs/dbraw/zinc/99/93/02/1363999302.db2.gz WTVWIVWNDZNOMG-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CCC1CC1)C2 ZINC001402751565 1363999303 /nfs/dbraw/zinc/99/93/03/1363999303.db2.gz WTVWIVWNDZNOMG-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccccc1)N(C)C ZINC001402753607 1364000436 /nfs/dbraw/zinc/00/04/36/1364000436.db2.gz XMMJZVGFGZAXKO-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCc1ccccc1)N(C)C ZINC001402753607 1364000439 /nfs/dbraw/zinc/00/04/39/1364000439.db2.gz XMMJZVGFGZAXKO-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001402852501 1364092208 /nfs/dbraw/zinc/09/22/08/1364092208.db2.gz QBRYMUFXRMYDBY-SUMWQHHRSA-N 1 3 341.446 2.535 20 0 EFADHO CCCC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402887726 1364111372 /nfs/dbraw/zinc/11/13/72/1364111372.db2.gz JVSRMMKFKSDMST-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CCCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402887726 1364111374 /nfs/dbraw/zinc/11/13/74/1364111374.db2.gz JVSRMMKFKSDMST-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001402894383 1364115926 /nfs/dbraw/zinc/11/59/26/1364115926.db2.gz LRZKEJJHMHTOBK-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001402923292 1364138436 /nfs/dbraw/zinc/13/84/36/1364138436.db2.gz OPXUIUFTISXLTR-QZTJIDSGSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001402923292 1364138439 /nfs/dbraw/zinc/13/84/39/1364138439.db2.gz OPXUIUFTISXLTR-QZTJIDSGSA-N 1 3 325.541 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC001402965516 1364165044 /nfs/dbraw/zinc/16/50/44/1364165044.db2.gz QTEPRNMAAOGDEO-IEBWSBKVSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)C1 ZINC001402965516 1364165047 /nfs/dbraw/zinc/16/50/47/1364165047.db2.gz QTEPRNMAAOGDEO-IEBWSBKVSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001403056598 1364261661 /nfs/dbraw/zinc/26/16/61/1364261661.db2.gz XYPLIXIMMZYBMR-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001403078937 1364282907 /nfs/dbraw/zinc/28/29/07/1364282907.db2.gz KGJLOPWZMOAJDI-QGZVFWFLSA-N 1 3 345.531 2.911 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1)N(C)C ZINC001403081092 1364285194 /nfs/dbraw/zinc/28/51/94/1364285194.db2.gz KSNSIKLQRUGPMA-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001403082275 1364287033 /nfs/dbraw/zinc/28/70/33/1364287033.db2.gz NVQJCTHLQIGJHW-UHFFFAOYSA-N 1 3 348.535 2.634 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC001403087699 1364292344 /nfs/dbraw/zinc/29/23/44/1364292344.db2.gz KWZZUPOIRCSCTD-GOSISDBHSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001403087432 1364292908 /nfs/dbraw/zinc/29/29/08/1364292908.db2.gz DYHGVDGTSATJFV-LPHOPBHVSA-N 1 3 333.520 2.991 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001437474217 1387676378 /nfs/dbraw/zinc/67/63/78/1387676378.db2.gz ZYQONVWJMSCEBE-UHFFFAOYSA-N 1 3 331.504 2.644 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001437474217 1387676384 /nfs/dbraw/zinc/67/63/84/1387676384.db2.gz ZYQONVWJMSCEBE-UHFFFAOYSA-N 1 3 331.504 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403183871 1364408647 /nfs/dbraw/zinc/40/86/47/1364408647.db2.gz BGCBDIQGVFWFSS-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403183871 1364408650 /nfs/dbraw/zinc/40/86/50/1364408650.db2.gz BGCBDIQGVFWFSS-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO CCCC[C@@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001403280546 1364494696 /nfs/dbraw/zinc/49/46/96/1364494696.db2.gz INUGLTDVDOVCMB-SFHVURJKSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001403283956 1364499118 /nfs/dbraw/zinc/49/91/18/1364499118.db2.gz GLKRKAZIKMCJHW-RBUKOAKNSA-N 1 3 343.515 2.996 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C\Cl)C1)C1CCC1 ZINC001403303605 1364519125 /nfs/dbraw/zinc/51/91/25/1364519125.db2.gz SAIYKCUDDFKIIL-UYEGUDHTSA-N 1 3 348.318 2.807 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001403326670 1364544893 /nfs/dbraw/zinc/54/48/93/1364544893.db2.gz MOZGWYKMOQGYQF-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403327943 1364545743 /nfs/dbraw/zinc/54/57/43/1364545743.db2.gz OBKYRRFGPNZCDB-JXFKEZNVSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403331994 1364548961 /nfs/dbraw/zinc/54/89/61/1364548961.db2.gz VMTWFDDPYYTJDO-FXAWDEMLSA-N 1 3 345.531 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001403350136 1364560985 /nfs/dbraw/zinc/56/09/85/1364560985.db2.gz KMUOUEANBQAMTN-XLIONFOSSA-N 1 3 345.531 2.889 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001403398739 1364603219 /nfs/dbraw/zinc/60/32/19/1364603219.db2.gz ITZHDLGRVICEEC-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001403566003 1364767012 /nfs/dbraw/zinc/76/70/12/1364767012.db2.gz RHRFIFYCQCXVQX-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001403566003 1364767015 /nfs/dbraw/zinc/76/70/15/1364767015.db2.gz RHRFIFYCQCXVQX-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001403588239 1364791004 /nfs/dbraw/zinc/79/10/04/1364791004.db2.gz PZLXWDSHUZPNLZ-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001403596175 1364799389 /nfs/dbraw/zinc/79/93/89/1364799389.db2.gz JFEWEWAHTFUTLX-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001403612065 1364816053 /nfs/dbraw/zinc/81/60/53/1364816053.db2.gz XXWPFLKSKHFNAS-HUUCEWRRSA-N 1 3 340.471 2.639 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001403770399 1364918250 /nfs/dbraw/zinc/91/82/50/1364918250.db2.gz NDBFLGDGFZLRBZ-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001403773869 1364922524 /nfs/dbraw/zinc/92/25/24/1364922524.db2.gz ZSXBHPRVUIZSGC-LPHOPBHVSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001403773869 1364922526 /nfs/dbraw/zinc/92/25/26/1364922526.db2.gz ZSXBHPRVUIZSGC-LPHOPBHVSA-N 1 3 331.504 2.871 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001403786527 1364937978 /nfs/dbraw/zinc/93/79/78/1364937978.db2.gz JXNKOLBQSJKCOL-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001403786527 1364937982 /nfs/dbraw/zinc/93/79/82/1364937982.db2.gz JXNKOLBQSJKCOL-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001403787071 1364939332 /nfs/dbraw/zinc/93/93/32/1364939332.db2.gz QLJKECIZLQFVED-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)[C@@H](C)c2ccccc2)C1 ZINC001437511024 1387711354 /nfs/dbraw/zinc/71/13/54/1387711354.db2.gz OYQRDUUQRCQTBK-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)[C@@H](C)c2ccccc2)C1 ZINC001437511024 1387711361 /nfs/dbraw/zinc/71/13/61/1387711361.db2.gz OYQRDUUQRCQTBK-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001403813278 1364968535 /nfs/dbraw/zinc/96/85/35/1364968535.db2.gz NORVQXWWZDONIZ-VQIMIIECSA-N 1 3 331.504 2.892 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(Cl)cc1C)N(C)C ZINC001403863552 1365004977 /nfs/dbraw/zinc/00/49/77/1365004977.db2.gz JMOHBGPYTYPZST-QGZVFWFLSA-N 1 3 339.911 2.927 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(Cl)cc1C)N(C)C ZINC001403863552 1365004982 /nfs/dbraw/zinc/00/49/82/1365004982.db2.gz JMOHBGPYTYPZST-QGZVFWFLSA-N 1 3 339.911 2.927 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001437514510 1387714928 /nfs/dbraw/zinc/71/49/28/1387714928.db2.gz ZCMFRCXMVIRRLN-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCc2c1cccc2F ZINC001403915943 1365038479 /nfs/dbraw/zinc/03/84/79/1365038479.db2.gz UQKXOTMJNDDJDK-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCc2c1cccc2F ZINC001403915943 1365038483 /nfs/dbraw/zinc/03/84/83/1365038483.db2.gz UQKXOTMJNDDJDK-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437515567 1387716810 /nfs/dbraw/zinc/71/68/10/1387716810.db2.gz BKXJDTIRORRGTC-IAGOWNOFSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001437515567 1387716813 /nfs/dbraw/zinc/71/68/13/1387716813.db2.gz BKXJDTIRORRGTC-IAGOWNOFSA-N 1 3 343.515 2.626 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CCc1ccccc1F ZINC001403950597 1365093952 /nfs/dbraw/zinc/09/39/52/1365093952.db2.gz PPAUGUMAMAJEMR-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CCc1ccccc1F ZINC001403950597 1365093955 /nfs/dbraw/zinc/09/39/55/1365093955.db2.gz PPAUGUMAMAJEMR-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404071427 1365230691 /nfs/dbraw/zinc/23/06/91/1365230691.db2.gz QVXFKUPOUFVWRW-CVEARBPZSA-N 1 3 347.478 2.667 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075051 1365234495 /nfs/dbraw/zinc/23/44/95/1365234495.db2.gz DHRLCWXUFDGZDG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075051 1365234499 /nfs/dbraw/zinc/23/44/99/1365234499.db2.gz DHRLCWXUFDGZDG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090018 1365250770 /nfs/dbraw/zinc/25/07/70/1365250770.db2.gz QPAWPZVPSNQBKX-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090018 1365250772 /nfs/dbraw/zinc/25/07/72/1365250772.db2.gz QPAWPZVPSNQBKX-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(F)cc1C ZINC001404124112 1365284806 /nfs/dbraw/zinc/28/48/06/1365284806.db2.gz FKTCZCCXSYBSCA-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(F)cc1C ZINC001404124112 1365284811 /nfs/dbraw/zinc/28/48/11/1365284811.db2.gz FKTCZCCXSYBSCA-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001404238609 1365382443 /nfs/dbraw/zinc/38/24/43/1365382443.db2.gz BAUXFBFDJYYEKD-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001404238609 1365382447 /nfs/dbraw/zinc/38/24/47/1365382447.db2.gz BAUXFBFDJYYEKD-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001404317455 1365446189 /nfs/dbraw/zinc/44/61/89/1365446189.db2.gz IAOMPPUPBNUGJO-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001404317455 1365446192 /nfs/dbraw/zinc/44/61/92/1365446192.db2.gz IAOMPPUPBNUGJO-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CCC2)c2ccccc2)CCC1 ZINC001404367191 1365476212 /nfs/dbraw/zinc/47/62/12/1365476212.db2.gz BYLIEYKLMXKWQN-GOSISDBHSA-N 1 3 329.488 2.718 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001405029453 1365976389 /nfs/dbraw/zinc/97/63/89/1365976389.db2.gz OIXHTPVWXHFHRH-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001405029453 1365976392 /nfs/dbraw/zinc/97/63/92/1365976392.db2.gz OIXHTPVWXHFHRH-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405139356 1366051799 /nfs/dbraw/zinc/05/17/99/1366051799.db2.gz DUOADCJGNTUNIL-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405139356 1366051802 /nfs/dbraw/zinc/05/18/02/1366051802.db2.gz DUOADCJGNTUNIL-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001405344182 1366154354 /nfs/dbraw/zinc/15/43/54/1366154354.db2.gz APICKXYYMIFGBO-GOSISDBHSA-N 1 3 331.504 2.718 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)C1CCC1 ZINC001405522734 1366267886 /nfs/dbraw/zinc/26/78/86/1366267886.db2.gz TZJBMHZPDWJLLU-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001405528621 1366272452 /nfs/dbraw/zinc/27/24/52/1366272452.db2.gz ZCWDIAWPUAGOBF-BQFCYCMXSA-N 1 3 335.467 2.683 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001405552608 1366289401 /nfs/dbraw/zinc/28/94/01/1366289401.db2.gz IBEGFPCXYXTLKU-KVZIAJEVSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001405666395 1366327652 /nfs/dbraw/zinc/32/76/52/1366327652.db2.gz DXKZOIDEVGYDJO-YJBOKZPZSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1F ZINC001405681071 1366333719 /nfs/dbraw/zinc/33/37/19/1366333719.db2.gz YIBIJJBZYDRDEE-HNAYVOBHSA-N 1 3 349.494 2.849 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)c1cccc(F)c1 ZINC001437595788 1387805112 /nfs/dbraw/zinc/80/51/12/1387805112.db2.gz AJKKABNFEJLRMQ-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001405756515 1366390513 /nfs/dbraw/zinc/39/05/13/1366390513.db2.gz DQLZBQFPHXLVDX-AWEZNQCLSA-N 1 3 349.441 2.830 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)CN(C)C1CCC1 ZINC001405818214 1366437126 /nfs/dbraw/zinc/43/71/26/1366437126.db2.gz ADPUZMKUMHGESX-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)CN(C)C1CCC1 ZINC001405820449 1366439643 /nfs/dbraw/zinc/43/96/43/1366439643.db2.gz CELFRFKEVBBNCV-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405845079 1366457771 /nfs/dbraw/zinc/45/77/71/1366457771.db2.gz NCJYXLBNZNESNM-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cncc(CNC[C@H](C)N(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001405882545 1366489135 /nfs/dbraw/zinc/48/91/35/1366489135.db2.gz FAZQWTOIMRIZDY-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H]1CCc2c1cccc2F ZINC001437598925 1387810342 /nfs/dbraw/zinc/81/03/42/1387810342.db2.gz PZYIQADCYBDVPA-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H]1CCc2c1cccc2F ZINC001437598925 1387810347 /nfs/dbraw/zinc/81/03/47/1387810347.db2.gz PZYIQADCYBDVPA-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001437599028 1387810630 /nfs/dbraw/zinc/81/06/30/1387810630.db2.gz QIRHJITZBIFKOY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001437599028 1387810635 /nfs/dbraw/zinc/81/06/35/1387810635.db2.gz QIRHJITZBIFKOY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(C)C ZINC001406059518 1367160711 /nfs/dbraw/zinc/16/07/11/1367160711.db2.gz DFOIYGDKIGWPGT-RBUKOAKNSA-N 1 3 349.494 2.885 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001406075920 1367187970 /nfs/dbraw/zinc/18/79/70/1367187970.db2.gz IJPYBXFCNVVTOX-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001406075920 1367187979 /nfs/dbraw/zinc/18/79/79/1367187979.db2.gz IJPYBXFCNVVTOX-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001406102459 1367228411 /nfs/dbraw/zinc/22/84/11/1367228411.db2.gz UCISVUVQJZHAMO-CLCXKQKWSA-N 1 3 347.478 2.543 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001406102459 1367228415 /nfs/dbraw/zinc/22/84/15/1367228415.db2.gz UCISVUVQJZHAMO-CLCXKQKWSA-N 1 3 347.478 2.543 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2F)C(=O)C1CC[NH+](C)CC1 ZINC001406135798 1367296142 /nfs/dbraw/zinc/29/61/42/1367296142.db2.gz SYDRSOGKZPOASY-IBGZPJMESA-N 1 3 347.478 2.545 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001406174065 1367367521 /nfs/dbraw/zinc/36/75/21/1367367521.db2.gz ZVPABBBPTWLODV-ZBFHGGJFSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406174065 1367367529 /nfs/dbraw/zinc/36/75/29/1367367529.db2.gz ZVPABBBPTWLODV-ZBFHGGJFSA-N 1 3 337.895 2.743 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001406184785 1367382638 /nfs/dbraw/zinc/38/26/38/1367382638.db2.gz NANOBCIWGGERBD-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001406184785 1367382644 /nfs/dbraw/zinc/38/26/44/1367382644.db2.gz NANOBCIWGGERBD-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001406300715 1367452565 /nfs/dbraw/zinc/45/25/65/1367452565.db2.gz AGYRCLBVYQUUSA-WMLDXEAASA-N 1 3 328.460 2.896 20 0 EFADHO CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001406300729 1367452919 /nfs/dbraw/zinc/45/29/19/1367452919.db2.gz AGYRCLBVYQUUSA-YOEHRIQHSA-N 1 3 328.460 2.896 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)CN(C)C1CCC1 ZINC001406326788 1367486098 /nfs/dbraw/zinc/48/60/98/1367486098.db2.gz NANWMWTXJBZROD-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CCNC(=O)CC[N@H+](C)CC)[C@H]1CCc2c1cccc2F ZINC001437644287 1387883294 /nfs/dbraw/zinc/88/32/94/1387883294.db2.gz WOFWYUOAHHPWDA-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCN(CCNC(=O)CC[N@@H+](C)CC)[C@H]1CCc2c1cccc2F ZINC001437644287 1387883302 /nfs/dbraw/zinc/88/33/02/1387883302.db2.gz WOFWYUOAHHPWDA-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001406481193 1367633279 /nfs/dbraw/zinc/63/32/79/1367633279.db2.gz LUXSUCSUIOLHEK-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CN(C)CC(C)(C)C ZINC001406526123 1367685978 /nfs/dbraw/zinc/68/59/78/1367685978.db2.gz CDYOIKUGCRNWKP-KSSFIOAISA-N 1 3 349.494 2.885 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001406544423 1367708855 /nfs/dbraw/zinc/70/88/55/1367708855.db2.gz IZLXATHSLUTVLU-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001406610582 1367801409 /nfs/dbraw/zinc/80/14/09/1367801409.db2.gz VJCBTBHFMNXSGR-BEFAXECRSA-N 1 3 345.487 2.956 20 0 EFADHO COc1cc(CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)ccc1C ZINC001406614373 1367807983 /nfs/dbraw/zinc/80/79/83/1367807983.db2.gz YXVPGDXQALOYLN-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001406640459 1367847675 /nfs/dbraw/zinc/84/76/75/1367847675.db2.gz VSTBDJLLUKZHIF-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001406640459 1367847678 /nfs/dbraw/zinc/84/76/78/1367847678.db2.gz VSTBDJLLUKZHIF-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO CCc1ccccc1CN(C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406657227 1367876806 /nfs/dbraw/zinc/87/68/06/1367876806.db2.gz ZGRDYHQGQLJVKC-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001406701669 1367948512 /nfs/dbraw/zinc/94/85/12/1367948512.db2.gz WQDOLIXZTZKQOG-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001406701669 1367948518 /nfs/dbraw/zinc/94/85/18/1367948518.db2.gz WQDOLIXZTZKQOG-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001406784502 1368047913 /nfs/dbraw/zinc/04/79/13/1368047913.db2.gz JMDPMBMXWHRRDO-MJGOQNOKSA-N 1 3 340.471 2.896 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](CC)C1 ZINC001406805218 1368077878 /nfs/dbraw/zinc/07/78/78/1368077878.db2.gz JNTLUTICCDHBRN-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](CC)C1 ZINC001406805213 1368078417 /nfs/dbraw/zinc/07/84/17/1368078417.db2.gz JNTLUTICCDHBRN-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001406917528 1368211043 /nfs/dbraw/zinc/21/10/43/1368211043.db2.gz IMJUASWEEMLESI-KRWDZBQOSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCc3cccc(F)c3)CC2)C1 ZINC001406956629 1368245977 /nfs/dbraw/zinc/24/59/77/1368245977.db2.gz NATMXNXMJCUSNC-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCc3cccc(F)c3)CC2)C1 ZINC001406956629 1368245982 /nfs/dbraw/zinc/24/59/82/1368245982.db2.gz NATMXNXMJCUSNC-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001406956741 1368247474 /nfs/dbraw/zinc/24/74/74/1368247474.db2.gz MFPWUKXEHDILQZ-SFHVURJKSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001406956741 1368247481 /nfs/dbraw/zinc/24/74/81/1368247481.db2.gz MFPWUKXEHDILQZ-SFHVURJKSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001407005709 1368309076 /nfs/dbraw/zinc/30/90/76/1368309076.db2.gz JOADHOITPOMMJA-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1)N(C)C ZINC001407025536 1368341547 /nfs/dbraw/zinc/34/15/47/1368341547.db2.gz UNFAMDNESSRKQB-VTGFLYEISA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C/C=C\Cl)CC2CC2)CC1)N(C)C ZINC001407025536 1368341555 /nfs/dbraw/zinc/34/15/55/1368341555.db2.gz UNFAMDNESSRKQB-VTGFLYEISA-N 1 3 341.927 2.782 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)C[C@H]1C ZINC001407078161 1368399025 /nfs/dbraw/zinc/39/90/25/1368399025.db2.gz AWCSQAMTCAEEHW-CVEARBPZSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C[C@@H]1C ZINC001407098858 1368423507 /nfs/dbraw/zinc/42/35/07/1368423507.db2.gz VKMXKUNWJABTAT-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001437689455 1387945423 /nfs/dbraw/zinc/94/54/23/1387945423.db2.gz VVTSKHVKMBUHIW-KOTDBNOLSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001437689455 1387945426 /nfs/dbraw/zinc/94/54/26/1387945426.db2.gz VVTSKHVKMBUHIW-KOTDBNOLSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407241844 1368637214 /nfs/dbraw/zinc/63/72/14/1368637214.db2.gz SXMAJQGQTSGXPZ-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407241813 1368637475 /nfs/dbraw/zinc/63/74/75/1368637475.db2.gz SXMAJQGQTSGXPZ-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC1(CNC(=O)CC[NH+]2CCCCC2)CCN(C/C=C\Cl)CC1 ZINC001407268826 1368678894 /nfs/dbraw/zinc/67/88/94/1368678894.db2.gz IBAAISSLWMUJNV-UITAMQMPSA-N 1 3 341.927 2.833 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001407826856 1369279798 /nfs/dbraw/zinc/27/97/98/1369279798.db2.gz NKJVWRXRZBRYEQ-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001407888021 1369353024 /nfs/dbraw/zinc/35/30/24/1369353024.db2.gz JBUXCHXAVPCPJN-MOPGFXCFSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001407888021 1369353031 /nfs/dbraw/zinc/35/30/31/1369353031.db2.gz JBUXCHXAVPCPJN-MOPGFXCFSA-N 1 3 349.494 2.967 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1F ZINC001407924890 1369408747 /nfs/dbraw/zinc/40/87/47/1369408747.db2.gz VGUIOSKBBKCBGY-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1F ZINC001407924890 1369408753 /nfs/dbraw/zinc/40/87/53/1369408753.db2.gz VGUIOSKBBKCBGY-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001407927047 1369413237 /nfs/dbraw/zinc/41/32/37/1369413237.db2.gz YBJBHVGKNVNRFP-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001407927047 1369413241 /nfs/dbraw/zinc/41/32/41/1369413241.db2.gz YBJBHVGKNVNRFP-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408011020 1369526659 /nfs/dbraw/zinc/52/66/59/1369526659.db2.gz QOYUBVKGRSWAAN-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001408055765 1369568520 /nfs/dbraw/zinc/56/85/20/1369568520.db2.gz KEAPWKFYLJDHDX-MRXNPFEDSA-N 1 3 329.488 2.616 20 0 EFADHO CC(C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@@H](C)C3)cc2C1 ZINC001408055765 1369568527 /nfs/dbraw/zinc/56/85/27/1369568527.db2.gz KEAPWKFYLJDHDX-MRXNPFEDSA-N 1 3 329.488 2.616 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001408179924 1369685461 /nfs/dbraw/zinc/68/54/61/1369685461.db2.gz PGAQTULURSCPDQ-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001408179924 1369685465 /nfs/dbraw/zinc/68/54/65/1369685465.db2.gz PGAQTULURSCPDQ-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001408199973 1369707533 /nfs/dbraw/zinc/70/75/33/1369707533.db2.gz WGWKXBWVZVOUIY-LBPRGKRZSA-N 1 3 343.924 2.870 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001408248799 1369749671 /nfs/dbraw/zinc/74/96/71/1369749671.db2.gz GZNWOBRCQWBSJG-LSDHHAIUSA-N 1 3 328.460 2.815 20 0 EFADHO CC[N@H+](CCCF)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001408296472 1369790282 /nfs/dbraw/zinc/79/02/82/1369790282.db2.gz UZCHEGJVXDTEMH-UHFFFAOYSA-N 1 3 343.531 2.884 20 0 EFADHO CC[N@@H+](CCCF)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001408296472 1369790285 /nfs/dbraw/zinc/79/02/85/1369790285.db2.gz UZCHEGJVXDTEMH-UHFFFAOYSA-N 1 3 343.531 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001408353971 1369864422 /nfs/dbraw/zinc/86/44/22/1369864422.db2.gz IJGFBKRKWGKYNP-FKUJVYATSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001408353971 1369864426 /nfs/dbraw/zinc/86/44/26/1369864426.db2.gz IJGFBKRKWGKYNP-FKUJVYATSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001408353979 1369864586 /nfs/dbraw/zinc/86/45/86/1369864586.db2.gz IJGFBKRKWGKYNP-VXIIIQHTSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001408353979 1369864590 /nfs/dbraw/zinc/86/45/90/1369864590.db2.gz IJGFBKRKWGKYNP-VXIIIQHTSA-N 1 3 343.515 2.963 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001414531944 1370405487 /nfs/dbraw/zinc/40/54/87/1370405487.db2.gz OLTMGYPXMHWINE-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)c1 ZINC001437793799 1388076786 /nfs/dbraw/zinc/07/67/86/1388076786.db2.gz RLOLULUQEYQBKU-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)c1 ZINC001437793799 1388076795 /nfs/dbraw/zinc/07/67/95/1388076795.db2.gz RLOLULUQEYQBKU-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001437807565 1388094881 /nfs/dbraw/zinc/09/48/81/1388094881.db2.gz MVUVCRQLOVRKDE-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[N@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001437807565 1388094886 /nfs/dbraw/zinc/09/48/86/1388094886.db2.gz MVUVCRQLOVRKDE-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO C[NH+]1CCC(C(=O)NCCN(C/C=C/c2ccccc2)C2CC2)CC1 ZINC001437809430 1388101102 /nfs/dbraw/zinc/10/11/02/1388101102.db2.gz PSUROIHSYFZXJS-VMPITWQZSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609362 1373087901 /nfs/dbraw/zinc/08/79/01/1373087901.db2.gz XJCYVWGUGLDWSA-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609362 1373087905 /nfs/dbraw/zinc/08/79/05/1373087905.db2.gz XJCYVWGUGLDWSA-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609359 1373088211 /nfs/dbraw/zinc/08/82/11/1373088211.db2.gz XJCYVWGUGLDWSA-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609359 1373088220 /nfs/dbraw/zinc/08/82/20/1373088220.db2.gz XJCYVWGUGLDWSA-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001417764394 1373228332 /nfs/dbraw/zinc/22/83/32/1373228332.db2.gz NKPXFQLTBJGQCS-DBVUQKKJSA-N 1 3 345.531 2.820 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001417769500 1373233329 /nfs/dbraw/zinc/23/33/29/1373233329.db2.gz OFDGKZPIDIZZBO-SWVRFXAGSA-N 1 3 341.499 2.526 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001417786247 1373252711 /nfs/dbraw/zinc/25/27/11/1373252711.db2.gz HQCRJHCSXLAFCB-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001417915888 1373412759 /nfs/dbraw/zinc/41/27/59/1373412759.db2.gz DXPDFDVIMIPTED-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001417915888 1373412761 /nfs/dbraw/zinc/41/27/61/1373412761.db2.gz DXPDFDVIMIPTED-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CCc2ccccc2)C1 ZINC001418021327 1373532791 /nfs/dbraw/zinc/53/27/91/1373532791.db2.gz LDUIWZHJAXCECA-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CCc2ccccc2)C1 ZINC001418021327 1373532799 /nfs/dbraw/zinc/53/27/99/1373532799.db2.gz LDUIWZHJAXCECA-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001418141006 1373667301 /nfs/dbraw/zinc/66/73/01/1373667301.db2.gz WTWAMWFNNBSXSJ-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001418141006 1373667305 /nfs/dbraw/zinc/66/73/05/1373667305.db2.gz WTWAMWFNNBSXSJ-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418161005 1373707257 /nfs/dbraw/zinc/70/72/57/1373707257.db2.gz JPCFHZMFSNACIG-AZUAARDMSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001418161005 1373707263 /nfs/dbraw/zinc/70/72/63/1373707263.db2.gz JPCFHZMFSNACIG-AZUAARDMSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001418172007 1373724263 /nfs/dbraw/zinc/72/42/63/1373724263.db2.gz IRJWAZRTTLTUCP-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001418172007 1373724266 /nfs/dbraw/zinc/72/42/66/1373724266.db2.gz IRJWAZRTTLTUCP-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001418186773 1373750805 /nfs/dbraw/zinc/75/08/05/1373750805.db2.gz KVEAECYKZANXDW-GPANFISMSA-N 1 3 345.478 2.635 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccc(F)c1 ZINC001418261345 1373826736 /nfs/dbraw/zinc/82/67/36/1373826736.db2.gz HMRXWQBBSYZFAO-INIZCTEOSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418267752 1373834327 /nfs/dbraw/zinc/83/43/27/1373834327.db2.gz FWTNWEJPWYXTIT-RHSMWYFYSA-N 1 3 339.911 2.829 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1cccc(F)c1 ZINC001418316280 1373896139 /nfs/dbraw/zinc/89/61/39/1373896139.db2.gz SQPFUMFKIQXMJX-INIZCTEOSA-N 1 3 335.467 2.686 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001418376841 1373955411 /nfs/dbraw/zinc/95/54/11/1373955411.db2.gz ORRGLINVDSAIBP-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001418376841 1373955418 /nfs/dbraw/zinc/95/54/18/1373955418.db2.gz ORRGLINVDSAIBP-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001418377297 1373955972 /nfs/dbraw/zinc/95/59/72/1373955972.db2.gz ROOAMWIFWFUHIM-YVAPMFQZSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001418393622 1373975484 /nfs/dbraw/zinc/97/54/84/1373975484.db2.gz AGOWBEHPUGTKIP-SFHVURJKSA-N 1 3 345.531 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001418429462 1374014449 /nfs/dbraw/zinc/01/44/49/1374014449.db2.gz PIUFSCDGCOYHMG-GFCCVEGCSA-N 1 3 334.851 2.599 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001418459794 1374047886 /nfs/dbraw/zinc/04/78/86/1374047886.db2.gz AUOCWKPKTVMHBN-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001418459794 1374047893 /nfs/dbraw/zinc/04/78/93/1374047893.db2.gz AUOCWKPKTVMHBN-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418493329 1374089421 /nfs/dbraw/zinc/08/94/21/1374089421.db2.gz YRLUZFBCVGAVGJ-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1C ZINC001418561679 1374183881 /nfs/dbraw/zinc/18/38/81/1374183881.db2.gz CSCIPEKGGRPELV-KRWDZBQOSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1C ZINC001418561679 1374183888 /nfs/dbraw/zinc/18/38/88/1374183888.db2.gz CSCIPEKGGRPELV-KRWDZBQOSA-N 1 3 331.504 2.583 20 0 EFADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1cc(F)ccc1C ZINC001418579622 1374219066 /nfs/dbraw/zinc/21/90/66/1374219066.db2.gz BGZGFLPDKDOAFW-UHFFFAOYSA-N 1 3 349.494 2.948 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001418598776 1374248800 /nfs/dbraw/zinc/24/88/00/1374248800.db2.gz WYDUVJRDYINPIJ-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001418598776 1374248807 /nfs/dbraw/zinc/24/88/07/1374248807.db2.gz WYDUVJRDYINPIJ-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418658437 1374333613 /nfs/dbraw/zinc/33/36/13/1374333613.db2.gz MNIQTULMZAJDHO-MJGOQNOKSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418658437 1374333618 /nfs/dbraw/zinc/33/36/18/1374333618.db2.gz MNIQTULMZAJDHO-MJGOQNOKSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658590 1374333918 /nfs/dbraw/zinc/33/39/18/1374333918.db2.gz NBXWIVAHGXJXKM-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658590 1374333923 /nfs/dbraw/zinc/33/39/23/1374333923.db2.gz NBXWIVAHGXJXKM-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001418685701 1374367324 /nfs/dbraw/zinc/36/73/24/1374367324.db2.gz RSUHKHPOPLWDLU-JYJNAYRXSA-N 1 3 347.478 2.855 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001418705566 1374391751 /nfs/dbraw/zinc/39/17/51/1374391751.db2.gz DTYAPMQLXYUVHN-JOCQHMNTSA-N 1 3 343.924 2.728 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001418705566 1374391755 /nfs/dbraw/zinc/39/17/55/1374391755.db2.gz DTYAPMQLXYUVHN-JOCQHMNTSA-N 1 3 343.924 2.728 20 0 EFADHO CCCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1cccc(F)c1 ZINC001418732391 1374434055 /nfs/dbraw/zinc/43/40/55/1374434055.db2.gz UBLMKBWYSXJBSF-UHFFFAOYSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc2c(c1)CCC2 ZINC001418812386 1374533219 /nfs/dbraw/zinc/53/32/19/1374533219.db2.gz SUJYJHJFEWSASG-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001418825088 1374546718 /nfs/dbraw/zinc/54/67/18/1374546718.db2.gz SILSEXFFXKMAGP-CZUORRHYSA-N 1 3 325.884 2.789 20 0 EFADHO CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCN(CC)C1 ZINC001418875891 1374611432 /nfs/dbraw/zinc/61/14/32/1374611432.db2.gz PNELWJXBEQOMQM-IBGZPJMESA-N 1 3 331.504 2.737 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001418890056 1374638573 /nfs/dbraw/zinc/63/85/73/1374638573.db2.gz KGDUIDWTXWKCCK-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001418890056 1374638578 /nfs/dbraw/zinc/63/85/78/1374638578.db2.gz KGDUIDWTXWKCCK-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001418931741 1374698635 /nfs/dbraw/zinc/69/86/35/1374698635.db2.gz CRSOQOPSSJUHKJ-QGZVFWFLSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001418931741 1374698640 /nfs/dbraw/zinc/69/86/40/1374698640.db2.gz CRSOQOPSSJUHKJ-QGZVFWFLSA-N 1 3 349.494 2.756 20 0 EFADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001419033241 1374779355 /nfs/dbraw/zinc/77/93/55/1374779355.db2.gz ZTYIGVWMBBSMFL-INIZCTEOSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001419098044 1374841130 /nfs/dbraw/zinc/84/11/30/1374841130.db2.gz ZHMCBBYJFGTBCD-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419135146 1374883412 /nfs/dbraw/zinc/88/34/12/1374883412.db2.gz FZCFSERFMOTIPO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001419135146 1374883413 /nfs/dbraw/zinc/88/34/13/1374883413.db2.gz FZCFSERFMOTIPO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001419191804 1374938170 /nfs/dbraw/zinc/93/81/70/1374938170.db2.gz DAPBPABWRSFPSW-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(C)c(F)c2)CCCC1)N(C)C ZINC001419307005 1375071397 /nfs/dbraw/zinc/07/13/97/1375071397.db2.gz PQYSCDCRJZFNKS-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H](NCC=C(Cl)Cl)C1CC1 ZINC001419329075 1375110459 /nfs/dbraw/zinc/11/04/59/1375110459.db2.gz VKHQEYZVYQAJMV-AWEZNQCLSA-N 1 3 348.318 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001419387839 1375207020 /nfs/dbraw/zinc/20/70/20/1375207020.db2.gz ZITYRCIWFWSYBV-FQEVSTJZSA-N 1 3 339.483 2.872 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1CC ZINC001419425248 1375257080 /nfs/dbraw/zinc/25/70/80/1375257080.db2.gz CCUDVXHPTCPYJU-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)(C(=O)NCC1C[NH+](CCC2CCCC2)C1)N1CCCCC1 ZINC001438125192 1388366898 /nfs/dbraw/zinc/36/68/98/1388366898.db2.gz RQKUWBUSYUVJBG-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001419439624 1375274680 /nfs/dbraw/zinc/27/46/80/1375274680.db2.gz QOPSHNZIYXYETD-LNLFQRSKSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001419441738 1375278330 /nfs/dbraw/zinc/27/83/30/1375278330.db2.gz ZQEULNWYACZPMH-IYARVYRRSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001419441424 1375278440 /nfs/dbraw/zinc/27/84/40/1375278440.db2.gz XDUFPPXKBGQUDJ-BJLQDIEVSA-N 1 3 343.515 2.887 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001419523796 1375383760 /nfs/dbraw/zinc/38/37/60/1375383760.db2.gz AHPKBUOHMYAQTL-DYVFJYSZSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001419524917 1375386449 /nfs/dbraw/zinc/38/64/49/1375386449.db2.gz HMFIVPOGJVAQJN-DZGCQCFKSA-N 1 3 328.460 2.672 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001419532069 1375399777 /nfs/dbraw/zinc/39/97/77/1375399777.db2.gz UZPCRRWIFPFJQG-APWZRJJASA-N 1 3 331.504 2.748 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001419556574 1375446653 /nfs/dbraw/zinc/44/66/53/1375446653.db2.gz BMKVZJCVMHXDQJ-IBGZPJMESA-N 1 3 349.494 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001419626078 1375574845 /nfs/dbraw/zinc/57/48/45/1375574845.db2.gz JEXARHLKQPPTRQ-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001419626078 1375574851 /nfs/dbraw/zinc/57/48/51/1375574851.db2.gz JEXARHLKQPPTRQ-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1C ZINC001419745941 1375805836 /nfs/dbraw/zinc/80/58/36/1375805836.db2.gz SHOVCVBJBRGCJV-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)(C)CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001438177567 1388403311 /nfs/dbraw/zinc/40/33/11/1388403311.db2.gz BOPRYMHKBGXHIO-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC001419813831 1375925202 /nfs/dbraw/zinc/92/52/02/1375925202.db2.gz CTWPTKWZJBPFBF-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC001419813835 1375925295 /nfs/dbraw/zinc/92/52/95/1375925295.db2.gz CTWPTKWZJBPFBF-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCc1ccc(Cl)c(Cl)c1 ZINC001419820822 1375935776 /nfs/dbraw/zinc/93/57/76/1375935776.db2.gz JIFMLFDTKACKPF-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1C)C(C)C)N(C)C ZINC001419944669 1376170169 /nfs/dbraw/zinc/17/01/69/1376170169.db2.gz PTNNOOWWBDMBLN-MSOLQXFVSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001420000003 1376259667 /nfs/dbraw/zinc/25/96/67/1376259667.db2.gz VVIVAHFSVQTKHG-ZWKOTPCHSA-N 1 3 335.467 2.761 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001420000003 1376259674 /nfs/dbraw/zinc/25/96/74/1376259674.db2.gz VVIVAHFSVQTKHG-ZWKOTPCHSA-N 1 3 335.467 2.761 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001420023018 1376303140 /nfs/dbraw/zinc/30/31/40/1376303140.db2.gz POMCBMFVHHHWHQ-OVPGCVMQSA-N 1 3 329.916 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420028648 1376317349 /nfs/dbraw/zinc/31/73/49/1376317349.db2.gz LUCZTWHBUIJJMX-RBUKOAKNSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001420037413 1376342910 /nfs/dbraw/zinc/34/29/10/1376342910.db2.gz AHBHOYWSGJMQGT-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001420037413 1376342920 /nfs/dbraw/zinc/34/29/20/1376342920.db2.gz AHBHOYWSGJMQGT-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001420054961 1376390218 /nfs/dbraw/zinc/39/02/18/1376390218.db2.gz ZOPAROUYAQCSAU-ZWKOTPCHSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001420054961 1376390228 /nfs/dbraw/zinc/39/02/28/1376390228.db2.gz ZOPAROUYAQCSAU-ZWKOTPCHSA-N 1 3 335.467 2.543 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001438243596 1388441574 /nfs/dbraw/zinc/44/15/74/1388441574.db2.gz CXSAJXQNFGVPOQ-VQTJNVASSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001438243596 1388441579 /nfs/dbraw/zinc/44/15/79/1388441579.db2.gz CXSAJXQNFGVPOQ-VQTJNVASSA-N 1 3 345.531 2.656 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C/Cl)C1CCC1 ZINC001420085428 1376438998 /nfs/dbraw/zinc/43/89/98/1376438998.db2.gz JLOOKLWYYPLIKO-KDUJCLPVSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001420221505 1376572853 /nfs/dbraw/zinc/57/28/53/1376572853.db2.gz DUVHHSQKLARKSU-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420239353 1376598477 /nfs/dbraw/zinc/59/84/77/1376598477.db2.gz YAPXYDOZGOKORW-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001420261763 1376635346 /nfs/dbraw/zinc/63/53/46/1376635346.db2.gz XPVASUXIVGYUHX-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420297216 1376686861 /nfs/dbraw/zinc/68/68/61/1376686861.db2.gz AZCICGYDLLNNIH-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420301439 1376692868 /nfs/dbraw/zinc/69/28/68/1376692868.db2.gz WWKPQOSJGTXOMZ-CQSZACIVSA-N 1 3 337.895 2.727 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001420338537 1376760015 /nfs/dbraw/zinc/76/00/15/1376760015.db2.gz KRUCQVPTMAVOIE-KGLIPLIRSA-N 1 3 337.895 2.837 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001420341246 1376766536 /nfs/dbraw/zinc/76/65/36/1376766536.db2.gz OGAGTLYPBSKBMY-UHFFFAOYSA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001420341246 1376766557 /nfs/dbraw/zinc/76/65/57/1376766557.db2.gz OGAGTLYPBSKBMY-UHFFFAOYSA-N 1 3 333.520 2.874 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001420377779 1376838919 /nfs/dbraw/zinc/83/89/19/1376838919.db2.gz RNQMHUYQEKDMFU-MRXNPFEDSA-N 1 3 325.456 2.656 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2csc(C)c2)C1 ZINC001438266432 1388465944 /nfs/dbraw/zinc/46/59/44/1388465944.db2.gz MSQZOJFFKNWHDY-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCN(CCNC(=O)CCC[NH+](C)C)[C@H]1CCc2c1cccc2F ZINC001420432603 1376958278 /nfs/dbraw/zinc/95/82/78/1376958278.db2.gz TWISBILKRSORCU-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)CN(C)C1CCC1 ZINC001420440678 1376980088 /nfs/dbraw/zinc/98/00/88/1376980088.db2.gz VPBPLJDDPLDKLR-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001420506818 1377100072 /nfs/dbraw/zinc/10/00/72/1377100072.db2.gz HODQIIXZBOWEAI-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001420506818 1377100074 /nfs/dbraw/zinc/10/00/74/1377100074.db2.gz HODQIIXZBOWEAI-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001420549992 1377175242 /nfs/dbraw/zinc/17/52/42/1377175242.db2.gz STRAVHMYQYETBQ-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001420549992 1377175243 /nfs/dbraw/zinc/17/52/43/1377175243.db2.gz STRAVHMYQYETBQ-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H](C[N@H+](C)CCCc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001420581742 1377245883 /nfs/dbraw/zinc/24/58/83/1377245883.db2.gz AEXCCMZOPSTZSY-HNNXBMFYSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@@H](C[N@@H+](C)CCCc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001420581742 1377245891 /nfs/dbraw/zinc/24/58/91/1377245891.db2.gz AEXCCMZOPSTZSY-HNNXBMFYSA-N 1 3 337.533 2.602 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001420582641 1377249391 /nfs/dbraw/zinc/24/93/91/1377249391.db2.gz CTLKPDOIXNWABB-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001420582641 1377249395 /nfs/dbraw/zinc/24/93/95/1377249395.db2.gz CTLKPDOIXNWABB-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583064 1377251470 /nfs/dbraw/zinc/25/14/70/1377251470.db2.gz FOPZLJMOWHNQGZ-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583064 1377251475 /nfs/dbraw/zinc/25/14/75/1377251475.db2.gz FOPZLJMOWHNQGZ-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001420593341 1377273639 /nfs/dbraw/zinc/27/36/39/1377273639.db2.gz CVFKUQQFMIEFDA-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001420593341 1377273641 /nfs/dbraw/zinc/27/36/41/1377273641.db2.gz CVFKUQQFMIEFDA-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420667470 1377463308 /nfs/dbraw/zinc/46/33/08/1377463308.db2.gz TZOMIIRJJUGXJF-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420667470 1377463311 /nfs/dbraw/zinc/46/33/11/1377463311.db2.gz TZOMIIRJJUGXJF-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420667468 1377463467 /nfs/dbraw/zinc/46/34/67/1377463467.db2.gz TZOMIIRJJUGXJF-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420667468 1377463470 /nfs/dbraw/zinc/46/34/70/1377463470.db2.gz TZOMIIRJJUGXJF-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001438310780 1388499690 /nfs/dbraw/zinc/49/96/90/1388499690.db2.gz GRIWXDIJPYAILM-MRXNPFEDSA-N 1 3 343.471 2.902 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1)C1CCC1 ZINC001420736044 1377582564 /nfs/dbraw/zinc/58/25/64/1377582564.db2.gz IXTGUFHMUMZDGI-GOSISDBHSA-N 1 3 349.906 2.809 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1)C1CCC1 ZINC001420736047 1377582798 /nfs/dbraw/zinc/58/27/98/1377582798.db2.gz IXTGUFHMUMZDGI-SFHVURJKSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001420736833 1377583742 /nfs/dbraw/zinc/58/37/42/1377583742.db2.gz FAIQFSBTFMMSAD-INIZCTEOSA-N 1 3 331.504 2.626 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001420790558 1377673521 /nfs/dbraw/zinc/67/35/21/1377673521.db2.gz GRUXFVIVHKFHIQ-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccnc1 ZINC001438332775 1388513333 /nfs/dbraw/zinc/51/33/33/1388513333.db2.gz JBLUQYPORJNNAR-GOSISDBHSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001420876335 1377820070 /nfs/dbraw/zinc/82/00/70/1377820070.db2.gz RBVDWJXGBLQQPS-IEBWSBKVSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001420876335 1377820071 /nfs/dbraw/zinc/82/00/71/1377820071.db2.gz RBVDWJXGBLQQPS-IEBWSBKVSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001420876353 1377820202 /nfs/dbraw/zinc/82/02/02/1377820202.db2.gz RBVDWJXGBLQQPS-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001420876353 1377820203 /nfs/dbraw/zinc/82/02/03/1377820203.db2.gz RBVDWJXGBLQQPS-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO CCC(CC)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001420950524 1377929227 /nfs/dbraw/zinc/92/92/27/1377929227.db2.gz DYAFNLSOOKCWTH-QGZVFWFLSA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001420950524 1377929228 /nfs/dbraw/zinc/92/92/28/1377929228.db2.gz DYAFNLSOOKCWTH-QGZVFWFLSA-N 1 3 337.552 2.935 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccccc3C3CC3)CC2)CCC1 ZINC001420959388 1377941869 /nfs/dbraw/zinc/94/18/69/1377941869.db2.gz LSVGTBNMGMUMAZ-UHFFFAOYSA-N 1 3 341.499 2.787 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](CCC3CC3)CC3CC3)CC2)C1 ZINC001421018724 1378028853 /nfs/dbraw/zinc/02/88/53/1378028853.db2.gz MOLKHFQWNUDNDS-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](CCC3CC3)CC3CC3)CC2)C1 ZINC001421018724 1378028855 /nfs/dbraw/zinc/02/88/55/1378028855.db2.gz MOLKHFQWNUDNDS-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C[C@@H]1C ZINC001421107946 1378136861 /nfs/dbraw/zinc/13/68/61/1378136861.db2.gz PYVJGTFQSRVXKU-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001421300967 1378460678 /nfs/dbraw/zinc/46/06/78/1378460678.db2.gz OYOATLWNSXZPIV-HXUWFJFHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001421300967 1378460681 /nfs/dbraw/zinc/46/06/81/1378460681.db2.gz OYOATLWNSXZPIV-HXUWFJFHSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001421314071 1378482704 /nfs/dbraw/zinc/48/27/04/1378482704.db2.gz TXXSTHDOLRWHAO-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001421469420 1378658538 /nfs/dbraw/zinc/65/85/38/1378658538.db2.gz FQNFVOIIOPZYSK-CVEARBPZSA-N 1 3 325.884 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001421525153 1378748193 /nfs/dbraw/zinc/74/81/93/1378748193.db2.gz NYPZQPYQLHECCD-RBUKOAKNSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001421536901 1378773682 /nfs/dbraw/zinc/77/36/82/1378773682.db2.gz ZEAMLOXBKYIVQR-OQPMYKDASA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001421536898 1378773749 /nfs/dbraw/zinc/77/37/49/1378773749.db2.gz ZEAMLOXBKYIVQR-GOPMFQSKSA-N 1 3 348.318 2.616 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571463 1378828834 /nfs/dbraw/zinc/82/88/34/1378828834.db2.gz FUKULYLJEQXYOH-VNTMZGSJSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571463 1378828835 /nfs/dbraw/zinc/82/88/35/1378828835.db2.gz FUKULYLJEQXYOH-VNTMZGSJSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001421654109 1378952635 /nfs/dbraw/zinc/95/26/35/1378952635.db2.gz QAYUSZIVYAXEDD-OAHLLOKOSA-N 1 3 329.488 2.848 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001438421795 1388580959 /nfs/dbraw/zinc/58/09/59/1388580959.db2.gz PBARSCDTWKZMHL-ICSRJNTNSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001421815769 1379168263 /nfs/dbraw/zinc/16/82/63/1379168263.db2.gz BJRUYGNXAHKKJZ-OALUTQOASA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823189 1379181716 /nfs/dbraw/zinc/18/17/16/1379181716.db2.gz QUWMWBQIWNEGAO-MOPGFXCFSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823189 1379181720 /nfs/dbraw/zinc/18/17/20/1379181720.db2.gz QUWMWBQIWNEGAO-MOPGFXCFSA-N 1 3 331.504 2.744 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001421823397 1379183263 /nfs/dbraw/zinc/18/32/63/1379183263.db2.gz RJLQYQNORVHKNJ-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001421823397 1379183266 /nfs/dbraw/zinc/18/32/66/1379183266.db2.gz RJLQYQNORVHKNJ-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421840137 1379217036 /nfs/dbraw/zinc/21/70/36/1379217036.db2.gz OBMWSJLOVKCYLZ-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421840137 1379217042 /nfs/dbraw/zinc/21/70/42/1379217042.db2.gz OBMWSJLOVKCYLZ-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)[C@H]1CCCN1C ZINC001421875359 1379286505 /nfs/dbraw/zinc/28/65/05/1379286505.db2.gz SKRAGIXKBYDVHU-DNVCBOLYSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001421898683 1379325094 /nfs/dbraw/zinc/32/50/94/1379325094.db2.gz CDRJOUVOTNNVAQ-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccccc3)CC2)CCC1 ZINC001438441004 1388602892 /nfs/dbraw/zinc/60/28/92/1388602892.db2.gz VISBOUIUFJWNHX-WGSAOQKQSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)N1Cc2ccc(CNC(=O)CCC[NH+]3CCCC3)cc2C1 ZINC001422014380 1379482320 /nfs/dbraw/zinc/48/23/20/1379482320.db2.gz ZQJYFBNHBJXPKO-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001422016125 1379486821 /nfs/dbraw/zinc/48/68/21/1379486821.db2.gz YCDBPRIFKYKYKR-GOSISDBHSA-N 1 3 331.504 2.791 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC001422034112 1379519114 /nfs/dbraw/zinc/51/91/14/1379519114.db2.gz SVIVWTOMFNNSJG-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC001422078778 1379582004 /nfs/dbraw/zinc/58/20/04/1379582004.db2.gz GKFMNLWSHPUIEP-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC001422078778 1379582014 /nfs/dbraw/zinc/58/20/14/1379582014.db2.gz GKFMNLWSHPUIEP-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001422098337 1379608156 /nfs/dbraw/zinc/60/81/56/1379608156.db2.gz QVNNEBNIXZFBFL-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001422098339 1379608396 /nfs/dbraw/zinc/60/83/96/1379608396.db2.gz QVNNEBNIXZFBFL-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001422111899 1379627806 /nfs/dbraw/zinc/62/78/06/1379627806.db2.gz QASGAJMCQYAYHQ-IBGZPJMESA-N 1 3 349.494 2.788 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001422111900 1379628023 /nfs/dbraw/zinc/62/80/23/1379628023.db2.gz QASGAJMCQYAYHQ-LJQANCHMSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F)N(C)C ZINC001422159697 1379701429 /nfs/dbraw/zinc/70/14/29/1379701429.db2.gz KOWOFRRBILXGNU-AHIWAGSCSA-N 1 3 341.446 2.850 20 0 EFADHO CC1CC[NH+](CC[C@H]2CCCN2CCC(=O)N2CCCCC2)CC1 ZINC001422161054 1379705399 /nfs/dbraw/zinc/70/53/99/1379705399.db2.gz MLEJPNWZXRGOBN-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)CC1 ZINC001422161054 1379705403 /nfs/dbraw/zinc/70/54/03/1379705403.db2.gz MLEJPNWZXRGOBN-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CC1CCN(CC[C@H]2CCC[N@H+]2CCC(=O)N2CCCCC2)CC1 ZINC001422161054 1379705409 /nfs/dbraw/zinc/70/54/09/1379705409.db2.gz MLEJPNWZXRGOBN-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001422202066 1379763381 /nfs/dbraw/zinc/76/33/81/1379763381.db2.gz SVDTZJQHMTTYIL-PXNSSMCTSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001422202066 1379763383 /nfs/dbraw/zinc/76/33/83/1379763383.db2.gz SVDTZJQHMTTYIL-PXNSSMCTSA-N 1 3 343.515 2.796 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001422217220 1379790072 /nfs/dbraw/zinc/79/00/72/1379790072.db2.gz RBEJGMWZEGFJKA-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001422217220 1379790074 /nfs/dbraw/zinc/79/00/74/1379790074.db2.gz RBEJGMWZEGFJKA-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1)C1CCC1 ZINC001422224651 1379805216 /nfs/dbraw/zinc/80/52/16/1379805216.db2.gz FMVXAWUIPPKGLJ-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1)C1CCC1 ZINC001422224651 1379805222 /nfs/dbraw/zinc/80/52/22/1379805222.db2.gz FMVXAWUIPPKGLJ-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001422224597 1379806292 /nfs/dbraw/zinc/80/62/92/1379806292.db2.gz IMPCFAVOBJLMEC-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001422224597 1379806295 /nfs/dbraw/zinc/80/62/95/1379806295.db2.gz IMPCFAVOBJLMEC-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2csc(C)c2)C1 ZINC001422244833 1379850075 /nfs/dbraw/zinc/85/00/75/1379850075.db2.gz IGSQTLOBHBUMBY-QZTJIDSGSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2csc(C)c2)C1 ZINC001422244833 1379850077 /nfs/dbraw/zinc/85/00/77/1379850077.db2.gz IGSQTLOBHBUMBY-QZTJIDSGSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001438477462 1388633786 /nfs/dbraw/zinc/63/37/86/1388633786.db2.gz CWLGPRNRGNPRIL-PKOBYXMFSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001438498257 1388640868 /nfs/dbraw/zinc/64/08/68/1388640868.db2.gz MKDHGLQSLZXFDC-DLBZAZTESA-N 1 3 331.504 2.882 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001438498266 1388641303 /nfs/dbraw/zinc/64/13/03/1388641303.db2.gz MKDHGLQSLZXFDC-SJORKVTESA-N 1 3 331.504 2.882 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001438502956 1388643277 /nfs/dbraw/zinc/64/32/77/1388643277.db2.gz YTDFKSSPYYIAEI-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1)N(C)C ZINC001422459559 1380139549 /nfs/dbraw/zinc/13/95/49/1380139549.db2.gz CXMBIICJFACRRN-OFLPRAFFSA-N 1 3 325.541 2.693 20 0 EFADHO C[C@@H](O)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001422576628 1380353926 /nfs/dbraw/zinc/35/39/26/1380353926.db2.gz FVGHQANMILTFGW-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC001422579041 1380358703 /nfs/dbraw/zinc/35/87/03/1380358703.db2.gz FXIFDPQPZAPHMV-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC001422579041 1380358706 /nfs/dbraw/zinc/35/87/06/1380358706.db2.gz FXIFDPQPZAPHMV-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001422677269 1380566153 /nfs/dbraw/zinc/56/61/53/1380566153.db2.gz YYVZASUGHYKISZ-QGTPRVQTSA-N 1 3 337.483 2.957 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001422728575 1380725339 /nfs/dbraw/zinc/72/53/39/1380725339.db2.gz LLISNZQBIPCIPP-INIZCTEOSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001422743208 1380745126 /nfs/dbraw/zinc/74/51/26/1380745126.db2.gz DULUTMPRWHFVBC-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001422743208 1380745131 /nfs/dbraw/zinc/74/51/31/1380745131.db2.gz DULUTMPRWHFVBC-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H](CN(C)CCc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001422914445 1381047182 /nfs/dbraw/zinc/04/71/82/1381047182.db2.gz DTIMVVTUMQFAQJ-QGZVFWFLSA-N 1 3 349.494 2.681 20 0 EFADHO C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001422917504 1381051660 /nfs/dbraw/zinc/05/16/60/1381051660.db2.gz MDYFXOXBNVVJTE-UPTPFMHGSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001422917504 1381051663 /nfs/dbraw/zinc/05/16/63/1381051663.db2.gz MDYFXOXBNVVJTE-UPTPFMHGSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422949679 1381109033 /nfs/dbraw/zinc/10/90/33/1381109033.db2.gz XREVQROTASABHO-IVEQORNPSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422949679 1381109036 /nfs/dbraw/zinc/10/90/36/1381109036.db2.gz XREVQROTASABHO-IVEQORNPSA-N 1 3 341.927 2.925 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423103286 1381354443 /nfs/dbraw/zinc/35/44/43/1381354443.db2.gz DNQOEZCXDIBKGJ-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001423151128 1381449218 /nfs/dbraw/zinc/44/92/18/1381449218.db2.gz BCKJKZTUNCCOBQ-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]CCc2cccs2)CC1 ZINC001423283154 1381742951 /nfs/dbraw/zinc/74/29/51/1381742951.db2.gz IALIAKCBSLETPP-QGZVFWFLSA-N 1 3 349.544 2.792 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2ccc(CF)cc2)CC1 ZINC001423308627 1381765934 /nfs/dbraw/zinc/76/59/34/1381765934.db2.gz SRVFUUBMZQIOII-UHFFFAOYSA-N 1 3 347.478 2.771 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC(F)(F)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423316952 1381774627 /nfs/dbraw/zinc/77/46/27/1381774627.db2.gz DRTLXBPAZCMQCN-DZGCQCFKSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]1[C@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001423324866 1381785484 /nfs/dbraw/zinc/78/54/84/1381785484.db2.gz HQJKSKVJEODMCS-NBZABIDWSA-N 1 3 335.879 2.693 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001423328584 1381790860 /nfs/dbraw/zinc/79/08/60/1381790860.db2.gz LKRIYXDVZSXMSU-KETLTQCKSA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001423328584 1381790862 /nfs/dbraw/zinc/79/08/62/1381790862.db2.gz LKRIYXDVZSXMSU-KETLTQCKSA-N 1 3 341.927 2.973 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001423363191 1381848422 /nfs/dbraw/zinc/84/84/22/1381848422.db2.gz KACFDTDCYMDXTA-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001423363191 1381848428 /nfs/dbraw/zinc/84/84/28/1381848428.db2.gz KACFDTDCYMDXTA-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1c(C)cccc1Cl ZINC001438701197 1388748294 /nfs/dbraw/zinc/74/82/94/1388748294.db2.gz OWFVSWUERSLNQA-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1c(C)cccc1Cl ZINC001438701197 1388748297 /nfs/dbraw/zinc/74/82/97/1388748297.db2.gz OWFVSWUERSLNQA-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001423446211 1381951105 /nfs/dbraw/zinc/95/11/05/1381951105.db2.gz AAEFNBUXYPEBBG-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1F)C1CCCC1)N(C)C ZINC001423549402 1382050632 /nfs/dbraw/zinc/05/06/32/1382050632.db2.gz XPGOESRRGZTGMD-MOPGFXCFSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC001423620744 1382179277 /nfs/dbraw/zinc/17/92/77/1382179277.db2.gz ZPQDLSBPZCKUMD-GOSISDBHSA-N 1 3 333.520 2.957 20 0 EFADHO Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001423632698 1382198667 /nfs/dbraw/zinc/19/86/67/1382198667.db2.gz BWEYYUABRNNUKX-IBGZPJMESA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001438727719 1388768488 /nfs/dbraw/zinc/76/84/88/1388768488.db2.gz JDYVXMPJQVJZBN-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)C[C@@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001438731485 1388771253 /nfs/dbraw/zinc/77/12/53/1388771253.db2.gz FRWKRTURIYNELE-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO C[C@@H](NC1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001423693405 1382303016 /nfs/dbraw/zinc/30/30/16/1382303016.db2.gz TZICPPAFJOSVTO-QQFBHYJXSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423932057 1382514874 /nfs/dbraw/zinc/51/48/74/1382514874.db2.gz XDZNNRIQNXRDPK-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001424603166 1383205906 /nfs/dbraw/zinc/20/59/06/1383205906.db2.gz OQQWIVUIIJDIKK-HDMKZQKVSA-N 1 3 337.483 2.957 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001424704960 1383277570 /nfs/dbraw/zinc/27/75/70/1383277570.db2.gz WJOMINPIWZVQOE-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001424704960 1383277575 /nfs/dbraw/zinc/27/75/75/1383277575.db2.gz WJOMINPIWZVQOE-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)cs1 ZINC001438837345 1388854388 /nfs/dbraw/zinc/85/43/88/1388854388.db2.gz DBKUDGHVNBIEFV-DLBZAZTESA-N 1 3 339.549 2.873 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccccn2)CC1)N(C)C ZINC001424870260 1383445250 /nfs/dbraw/zinc/44/52/50/1383445250.db2.gz YNTRXOSNESHXPG-NKELODKYSA-N 1 3 346.519 2.527 20 0 EFADHO CN(CC(C)(C)C[NH2+]Cc1ccc(CF)cc1)C(=O)Cc1c[nH]cn1 ZINC001424891462 1383468369 /nfs/dbraw/zinc/46/83/69/1383468369.db2.gz VARUILYGGYSSAT-UHFFFAOYSA-N 1 3 346.450 2.696 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001424891440 1383468541 /nfs/dbraw/zinc/46/85/41/1383468541.db2.gz UVEQZDYCJRRLOL-AWEZNQCLSA-N 1 3 346.450 2.927 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425674426 1383749640 /nfs/dbraw/zinc/74/96/40/1383749640.db2.gz FUZWVKAOBXBIAA-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001425676043 1383751822 /nfs/dbraw/zinc/75/18/22/1383751822.db2.gz DADAOMYMMFLRRM-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001425683182 1383759366 /nfs/dbraw/zinc/75/93/66/1383759366.db2.gz PZLFFKPJORJKGB-CJNGLKHVSA-N 1 3 325.522 2.579 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001425685966 1383763123 /nfs/dbraw/zinc/76/31/23/1383763123.db2.gz WKMPYOIBJKDJON-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001425952001 1383893684 /nfs/dbraw/zinc/89/36/84/1383893684.db2.gz JEQXWRFJDFPLRB-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001426222648 1384081364 /nfs/dbraw/zinc/08/13/64/1384081364.db2.gz DQOGFVVJOYCUSD-ACBHZAAOSA-N 1 3 331.504 2.723 20 0 EFADHO C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1(C)C ZINC001426475849 1384351404 /nfs/dbraw/zinc/35/14/04/1384351404.db2.gz XIEONOKNMKLBPL-INIZCTEOSA-N 1 3 348.491 2.542 20 0 EFADHO C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1(C)C ZINC001426475849 1384351408 /nfs/dbraw/zinc/35/14/08/1384351408.db2.gz XIEONOKNMKLBPL-INIZCTEOSA-N 1 3 348.491 2.542 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001426904015 1384620067 /nfs/dbraw/zinc/62/00/67/1384620067.db2.gz JEHGFQRRFOOIGJ-IBGZPJMESA-N 1 3 346.519 2.600 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001426904015 1384620079 /nfs/dbraw/zinc/62/00/79/1384620079.db2.gz JEHGFQRRFOOIGJ-IBGZPJMESA-N 1 3 346.519 2.600 20 0 EFADHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438936439 1388936921 /nfs/dbraw/zinc/93/69/21/1388936921.db2.gz HHVDCRWSYDJNJR-GOSISDBHSA-N 1 3 331.504 2.652 20 0 EFADHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438936439 1388936925 /nfs/dbraw/zinc/93/69/25/1388936925.db2.gz HHVDCRWSYDJNJR-GOSISDBHSA-N 1 3 331.504 2.652 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCc2cccs2)C1 ZINC001438951348 1388948415 /nfs/dbraw/zinc/94/84/15/1388948415.db2.gz NXOVFHFWVBRURR-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCc2cccs2)C1 ZINC001438951348 1388948421 /nfs/dbraw/zinc/94/84/21/1388948421.db2.gz NXOVFHFWVBRURR-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)[C@@H]1CCCN1C ZINC001439077453 1388982085 /nfs/dbraw/zinc/98/20/85/1388982085.db2.gz RMWBGVZXCOORDO-DYVFJYSZSA-N 1 3 339.430 2.558 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H]1CCCCN1C)[NH+]1CCCCCC1 ZINC001428358230 1385416516 /nfs/dbraw/zinc/41/65/16/1385416516.db2.gz XTFVJDJXPOKQET-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001439117886 1388999644 /nfs/dbraw/zinc/99/96/44/1388999644.db2.gz ASEWVBRINKNTHL-CHWSQXEVSA-N 1 3 339.430 2.604 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001439177703 1389033167 /nfs/dbraw/zinc/03/31/67/1389033167.db2.gz XWJNLPWXMZDAOF-MRXNPFEDSA-N 1 3 333.520 2.920 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)NC(=O)C12CCC[NH+]1CCC2 ZINC001439231090 1389061330 /nfs/dbraw/zinc/06/13/30/1389061330.db2.gz IVLVDITUTGVDMB-HNNXBMFYSA-N 1 3 341.455 2.656 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001439285910 1389097036 /nfs/dbraw/zinc/09/70/36/1389097036.db2.gz RNQMHUYQEKDMFU-INIZCTEOSA-N 1 3 325.456 2.656 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001439407985 1389259877 /nfs/dbraw/zinc/25/98/77/1389259877.db2.gz VVIQZWOKIOAUET-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001439407985 1389259882 /nfs/dbraw/zinc/25/98/82/1389259882.db2.gz VVIQZWOKIOAUET-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440255188 1389479023 /nfs/dbraw/zinc/47/90/23/1389479023.db2.gz SNEMYXUKTSCISB-ROUUACIJSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440255184 1389479378 /nfs/dbraw/zinc/47/93/78/1389479378.db2.gz SNEMYXUKTSCISB-QZTJIDSGSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)cc1F ZINC001440316968 1389529358 /nfs/dbraw/zinc/52/93/58/1389529358.db2.gz BANJHKUITXXZCC-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NCC2(NC/C=C/Cl)CCC2)cc1 ZINC001440342157 1389549251 /nfs/dbraw/zinc/54/92/51/1389549251.db2.gz WBVKSOZOZDJPJX-UUILKARUSA-N 1 3 349.906 2.785 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001440347073 1389553362 /nfs/dbraw/zinc/55/33/62/1389553362.db2.gz XWGVVJCADFHUSR-JCNLHEQBSA-N 1 3 349.544 2.834 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001440363383 1389568948 /nfs/dbraw/zinc/56/89/48/1389568948.db2.gz SAYGSPOSDHFRID-SAABIXHNSA-N 1 3 347.478 2.686 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1)N(C)C ZINC001440364610 1389569453 /nfs/dbraw/zinc/56/94/53/1389569453.db2.gz PHBBSWKHBSSMGX-MTNOOBJLSA-N 1 3 331.504 2.881 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001440385861 1389582843 /nfs/dbraw/zinc/58/28/43/1389582843.db2.gz HVZZPEBIXQBYCU-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001440385861 1389582851 /nfs/dbraw/zinc/58/28/51/1389582851.db2.gz HVZZPEBIXQBYCU-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001440393111 1389588837 /nfs/dbraw/zinc/58/88/37/1389588837.db2.gz BAKLNNNVSZCKDL-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001440398112 1389595310 /nfs/dbraw/zinc/59/53/10/1389595310.db2.gz QQEDDNLLWHBAQH-ABHNRTSZSA-N 1 3 337.552 2.981 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001440398112 1389595316 /nfs/dbraw/zinc/59/53/16/1389595316.db2.gz QQEDDNLLWHBAQH-ABHNRTSZSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CCC[N@H+](C)CC/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001440425937 1389623654 /nfs/dbraw/zinc/62/36/54/1389623654.db2.gz JGSPSRROHXQZDO-NBSXQYNISA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)CC/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001440425937 1389623660 /nfs/dbraw/zinc/62/36/60/1389623660.db2.gz JGSPSRROHXQZDO-NBSXQYNISA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccn1 ZINC001440438543 1389637527 /nfs/dbraw/zinc/63/75/27/1389637527.db2.gz YAMKIRSSULSLJB-UHFFFAOYSA-N 1 3 346.519 2.626 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCc2c1cccc2F)C(=O)Cc1c[nH]cn1 ZINC001440467607 1389670676 /nfs/dbraw/zinc/67/06/76/1389670676.db2.gz BLIWLAVVLAPHDR-SFHVURJKSA-N 1 3 344.434 2.559 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCc2c1cccc2F)C(=O)Cc1c[nH]cn1 ZINC001440467607 1389670683 /nfs/dbraw/zinc/67/06/83/1389670683.db2.gz BLIWLAVVLAPHDR-SFHVURJKSA-N 1 3 344.434 2.559 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001440728407 1389849432 /nfs/dbraw/zinc/84/94/32/1389849432.db2.gz BAZPTWQDAVQSIO-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ncccc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001440880185 1389974611 /nfs/dbraw/zinc/97/46/11/1389974611.db2.gz FTBCNHXEZXZTFM-GOSISDBHSA-N 1 3 348.535 2.550 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1cccc(Cl)c1 ZINC001440954835 1390045051 /nfs/dbraw/zinc/04/50/51/1390045051.db2.gz KULPUDVJQGWQKO-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C ZINC001440996707 1391018126 /nfs/dbraw/zinc/01/81/26/1391018126.db2.gz MUKFGUGOQSLMAK-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001440996707 1391018133 /nfs/dbraw/zinc/01/81/33/1391018133.db2.gz MUKFGUGOQSLMAK-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC(C)C[NH2+][C@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001441088415 1391081184 /nfs/dbraw/zinc/08/11/84/1391081184.db2.gz DORSYODDZSCIEC-GOSISDBHSA-N 1 3 325.541 2.837 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001441186276 1391167687 /nfs/dbraw/zinc/16/76/87/1391167687.db2.gz ZXPMSBSMIFBMHB-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001441199866 1391176165 /nfs/dbraw/zinc/17/61/65/1391176165.db2.gz DSUQGLZESTUBFP-OXJNMPFZSA-N 1 3 343.515 2.842 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H](NCc2ccccc2Cl)C2CC2)CC1 ZINC001441224488 1391193044 /nfs/dbraw/zinc/19/30/44/1391193044.db2.gz FNNHLTROYLAUAB-SFHVURJKSA-N 1 3 349.906 2.666 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1)N(C)C ZINC001441402836 1391285448 /nfs/dbraw/zinc/28/54/48/1391285448.db2.gz WXSZVEQYGNTHEC-IIAWOOMASA-N 1 3 341.858 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001441416281 1391291972 /nfs/dbraw/zinc/29/19/72/1391291972.db2.gz JSRHQZJVDFXACP-FHWLQOOXSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001441577124 1391371553 /nfs/dbraw/zinc/37/15/53/1391371553.db2.gz ACWJROPHQXRGGG-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001441577124 1391371560 /nfs/dbraw/zinc/37/15/60/1391371560.db2.gz ACWJROPHQXRGGG-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001441623629 1391388971 /nfs/dbraw/zinc/38/89/71/1391388971.db2.gz SHPQLFRFPDDKIL-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001441640187 1391401962 /nfs/dbraw/zinc/40/19/62/1391401962.db2.gz LQAWWDSVUCWRKV-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001441640187 1391401963 /nfs/dbraw/zinc/40/19/63/1391401963.db2.gz LQAWWDSVUCWRKV-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccc1F ZINC001444820627 1391510957 /nfs/dbraw/zinc/51/09/57/1391510957.db2.gz DKVPARNPLBDUCY-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccc1F ZINC001444820627 1391510960 /nfs/dbraw/zinc/51/09/60/1391510960.db2.gz DKVPARNPLBDUCY-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CC1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CC3)CC2)CC1 ZINC001444834078 1391511254 /nfs/dbraw/zinc/51/12/54/1391511254.db2.gz HUHGBPOAFPOVAA-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CC3)CC2)CC1 ZINC001444834078 1391511256 /nfs/dbraw/zinc/51/12/56/1391511256.db2.gz HUHGBPOAFPOVAA-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001445556265 1391533364 /nfs/dbraw/zinc/53/33/64/1391533364.db2.gz BMPMXRISGABVJW-STQMWFEESA-N 1 3 339.430 2.604 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2C)C1 ZINC001446622562 1391562908 /nfs/dbraw/zinc/56/29/08/1391562908.db2.gz ISNHHJCTNUHQQR-HXUWFJFHSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001446984251 1391652397 /nfs/dbraw/zinc/65/23/97/1391652397.db2.gz CPXJWYLLTCPXLY-LWYYNNOASA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001446984251 1391652399 /nfs/dbraw/zinc/65/23/99/1391652399.db2.gz CPXJWYLLTCPXLY-LWYYNNOASA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001447640772 1391723088 /nfs/dbraw/zinc/72/30/88/1391723088.db2.gz UVCIKVLCLGXONK-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001447640772 1391723095 /nfs/dbraw/zinc/72/30/95/1391723095.db2.gz UVCIKVLCLGXONK-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2)C1 ZINC001447971238 1391866012 /nfs/dbraw/zinc/86/60/12/1391866012.db2.gz NSAKBQASWQKTKG-QGZVFWFLSA-N 1 3 331.504 2.603 20 0 EFADHO CC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H]1C ZINC001448023914 1391903275 /nfs/dbraw/zinc/90/32/75/1391903275.db2.gz OULGABUEMWBITC-SJORKVTESA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001448041511 1391912037 /nfs/dbraw/zinc/91/20/37/1391912037.db2.gz KVQNRYZCJGKVDG-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001448041511 1391912041 /nfs/dbraw/zinc/91/20/41/1391912041.db2.gz KVQNRYZCJGKVDG-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cccnc1C ZINC001448278684 1392076916 /nfs/dbraw/zinc/07/69/16/1392076916.db2.gz LMNKJEACZDLPOK-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cccnc1C ZINC001448278684 1392076920 /nfs/dbraw/zinc/07/69/20/1392076920.db2.gz LMNKJEACZDLPOK-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001448603616 1392096592 /nfs/dbraw/zinc/09/65/92/1392096592.db2.gz KWQMZKKISWCPBD-IBGZPJMESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001448648014 1392139965 /nfs/dbraw/zinc/13/99/65/1392139965.db2.gz GZVDROYWSBORBP-ZDUSSCGKSA-N 1 3 337.430 2.640 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001448675728 1392163803 /nfs/dbraw/zinc/16/38/03/1392163803.db2.gz HUANCLIQZIQJSU-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001448678776 1392167110 /nfs/dbraw/zinc/16/71/10/1392167110.db2.gz KOVOOJPTDYXWHP-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001449065779 1392247551 /nfs/dbraw/zinc/24/75/51/1392247551.db2.gz YGQJUEHBSIWRNO-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001507089223 1406686691 /nfs/dbraw/zinc/68/66/91/1406686691.db2.gz LURZWMUHLDABNU-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001456545419 1394712133 /nfs/dbraw/zinc/71/21/33/1394712133.db2.gz CADSXGXIFLGAPM-QUCCMNQESA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001456545419 1394712140 /nfs/dbraw/zinc/71/21/40/1394712140.db2.gz CADSXGXIFLGAPM-QUCCMNQESA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCC1CCCC1 ZINC001507126540 1406738203 /nfs/dbraw/zinc/73/82/03/1406738203.db2.gz MQNWOWBQUHUAHZ-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001507145756 1406764486 /nfs/dbraw/zinc/76/44/86/1406764486.db2.gz CDWYCJSEOXPJCA-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001507151869 1406775316 /nfs/dbraw/zinc/77/53/16/1406775316.db2.gz KQCOLEKPFZRKMG-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC001470067896 1397071936 /nfs/dbraw/zinc/07/19/36/1397071936.db2.gz SFOYNIWHQQYLBS-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001470298165 1397084905 /nfs/dbraw/zinc/08/49/05/1397084905.db2.gz RETYPCAQJCRQHE-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473931390 1397352829 /nfs/dbraw/zinc/35/28/29/1397352829.db2.gz JKNXXYQQCLMCCZ-HNNXBMFYSA-N 1 3 341.446 2.712 20 0 EFADHO Cc1cc(Cl)ccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001473979330 1397359804 /nfs/dbraw/zinc/35/98/04/1397359804.db2.gz PANUNUJTVGCSGX-UHFFFAOYSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1cc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)ccc1Cl ZINC001473978876 1397360049 /nfs/dbraw/zinc/36/00/49/1397360049.db2.gz HMNFDRSGAQGDBG-UHFFFAOYSA-N 1 3 337.895 2.681 20 0 EFADHO CN(CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)Cc1ccccc1 ZINC001477591335 1397542877 /nfs/dbraw/zinc/54/28/77/1397542877.db2.gz JTYOAEJZBTUYEF-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CN(CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1)Cc1ccccc1 ZINC001477591335 1397542885 /nfs/dbraw/zinc/54/28/85/1397542885.db2.gz JTYOAEJZBTUYEF-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001478970606 1397597948 /nfs/dbraw/zinc/59/79/48/1397597948.db2.gz MQVCAHVRZFJZFT-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001479392004 1397712693 /nfs/dbraw/zinc/71/26/93/1397712693.db2.gz QXYYVZORQGONQM-BZUAXINKSA-N 1 3 347.478 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001479408082 1397717625 /nfs/dbraw/zinc/71/76/25/1397717625.db2.gz HWKITCXLOYVIRC-IIDMSEBBSA-N 1 3 335.467 2.713 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001480079771 1398114407 /nfs/dbraw/zinc/11/44/07/1398114407.db2.gz PFLMNFJHVDLHAS-MEMKZHQFSA-N 1 3 339.911 2.538 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001480168169 1398138754 /nfs/dbraw/zinc/13/87/54/1398138754.db2.gz YIWWZXSMEQELGZ-ZHALLVOQSA-N 1 3 331.504 2.689 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001480168621 1398139102 /nfs/dbraw/zinc/13/91/02/1398139102.db2.gz RHWWRMPTWXDWSN-GUDVDZBRSA-N 1 3 349.494 2.581 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001480576201 1398220159 /nfs/dbraw/zinc/22/01/59/1398220159.db2.gz ABOZYAUEAUBYLA-GUYCJALGSA-N 1 3 337.895 2.763 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001480596791 1398237343 /nfs/dbraw/zinc/23/73/43/1398237343.db2.gz MIAHWLWHKGVVBY-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001480675292 1398277111 /nfs/dbraw/zinc/27/71/11/1398277111.db2.gz FRQUGNWVWNNYMK-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001480675245 1398277196 /nfs/dbraw/zinc/27/71/96/1398277196.db2.gz FFTZIBIVPIUINQ-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001493160396 1398488885 /nfs/dbraw/zinc/48/88/85/1398488885.db2.gz IFISBKXTVZVHDK-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001493579596 1398760799 /nfs/dbraw/zinc/76/07/99/1398760799.db2.gz NYVVCKYHAFIZAS-ZDUSSCGKSA-N 1 3 339.430 2.558 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001493696611 1398814322 /nfs/dbraw/zinc/81/43/22/1398814322.db2.gz XMHISYPUGCNATF-HNNXBMFYSA-N 1 3 337.483 2.913 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001507379893 1406984661 /nfs/dbraw/zinc/98/46/61/1406984661.db2.gz CIGVTTXMDGWYID-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001507379895 1406984914 /nfs/dbraw/zinc/98/49/14/1406984914.db2.gz CIGVTTXMDGWYID-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001493806020 1398895823 /nfs/dbraw/zinc/89/58/23/1398895823.db2.gz DGQTXRZCAZEEIW-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001494021732 1399068412 /nfs/dbraw/zinc/06/84/12/1399068412.db2.gz ODJCXFHQPKDCHB-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001494021732 1399068416 /nfs/dbraw/zinc/06/84/16/1399068416.db2.gz ODJCXFHQPKDCHB-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001494171525 1399185226 /nfs/dbraw/zinc/18/52/26/1399185226.db2.gz IVQRTMMQIWKDRX-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001494171525 1399185228 /nfs/dbraw/zinc/18/52/28/1399185228.db2.gz IVQRTMMQIWKDRX-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001494195489 1399203116 /nfs/dbraw/zinc/20/31/16/1399203116.db2.gz JNSUSWIMOUVDAW-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001494195489 1399203122 /nfs/dbraw/zinc/20/31/22/1399203122.db2.gz JNSUSWIMOUVDAW-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494723277 1399443713 /nfs/dbraw/zinc/44/37/13/1399443713.db2.gz UWDHTOXDTLDGQB-ZIFCJYIRSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494723277 1399443715 /nfs/dbraw/zinc/44/37/15/1399443715.db2.gz UWDHTOXDTLDGQB-ZIFCJYIRSA-N 1 3 331.504 2.833 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001507418183 1407032711 /nfs/dbraw/zinc/03/27/11/1407032711.db2.gz CDDROMNKWOWTIT-QFBILLFUSA-N 1 3 349.494 2.850 20 0 EFADHO CN(CC(=O)N[C@@](C)(C[NH2+]Cc1cccc(F)c1)C1CC1)C1CCC1 ZINC001495258689 1399773588 /nfs/dbraw/zinc/77/35/88/1399773588.db2.gz MGVVGVVQGKEYRA-FQEVSTJZSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001495787426 1400268707 /nfs/dbraw/zinc/26/87/07/1400268707.db2.gz BATJGIJQSKVDQE-DNVCBOLYSA-N 1 3 349.494 2.887 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496078146 1400456897 /nfs/dbraw/zinc/45/68/97/1400456897.db2.gz GYZBFOXMYPQHBO-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082934 1400460951 /nfs/dbraw/zinc/46/09/51/1400460951.db2.gz VRXULXANYAFFGI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ncccc1C)N(C)C ZINC001496411883 1400713680 /nfs/dbraw/zinc/71/36/80/1400713680.db2.gz PEVPCUPQGQOSMN-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2)C1 ZINC001496446608 1400736832 /nfs/dbraw/zinc/73/68/32/1400736832.db2.gz FONBMNOWYPDAPT-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CN(CCF)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001496500566 1400775524 /nfs/dbraw/zinc/77/55/24/1400775524.db2.gz BVJCKKHWQMGLBR-UHFFFAOYSA-N 1 3 341.515 2.781 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001496506348 1400781627 /nfs/dbraw/zinc/78/16/27/1400781627.db2.gz PKLVDYBLHAXSIC-GOSISDBHSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001496506348 1400781631 /nfs/dbraw/zinc/78/16/31/1400781631.db2.gz PKLVDYBLHAXSIC-GOSISDBHSA-N 1 3 341.515 2.637 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001496888815 1401079278 /nfs/dbraw/zinc/07/92/78/1401079278.db2.gz QHXOMWWLURADOK-AZUAARDMSA-N 1 3 343.515 2.854 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2CNC/C(Cl)=C\Cl)CC1 ZINC001496903853 1401091037 /nfs/dbraw/zinc/09/10/37/1401091037.db2.gz JPXPSJUATLVTRL-ZMCCTTKHSA-N 1 3 348.318 2.522 20 0 EFADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001497611992 1401493325 /nfs/dbraw/zinc/49/33/25/1401493325.db2.gz RAENWQTXZNFZPG-HQYUYXFKSA-N 1 3 349.906 2.930 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497942913 1401759705 /nfs/dbraw/zinc/75/97/05/1401759705.db2.gz LCQFKZKOWRNCMV-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001498051222 1401831361 /nfs/dbraw/zinc/83/13/61/1401831361.db2.gz SKLFUDDWMUPGOS-HNNXBMFYSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001498056474 1401834468 /nfs/dbraw/zinc/83/44/68/1401834468.db2.gz VOSSUSZMNORZLJ-YRNRMSPPSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498314253 1402000485 /nfs/dbraw/zinc/00/04/85/1402000485.db2.gz REIWVJXIJHUJOC-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(CCC[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498314253 1402000489 /nfs/dbraw/zinc/00/04/89/1402000489.db2.gz REIWVJXIJHUJOC-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498331072 1402014083 /nfs/dbraw/zinc/01/40/83/1402014083.db2.gz QAVYUIVVCSXULV-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](C[N@H+](C)CCC1CCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001498381066 1402054603 /nfs/dbraw/zinc/05/46/03/1402054603.db2.gz MLXGAMFUUOMODP-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](C[N@@H+](C)CCC1CCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001498381066 1402054608 /nfs/dbraw/zinc/05/46/08/1402054608.db2.gz MLXGAMFUUOMODP-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001499370900 1402586299 /nfs/dbraw/zinc/58/62/99/1402586299.db2.gz DMUJTBWJKDDYNW-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001499530906 1402665661 /nfs/dbraw/zinc/66/56/61/1402665661.db2.gz NMPKQOATDYXGHS-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001499530906 1402665667 /nfs/dbraw/zinc/66/56/67/1402665667.db2.gz NMPKQOATDYXGHS-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001499921939 1402856188 /nfs/dbraw/zinc/85/61/88/1402856188.db2.gz ZTOYXABLUABICX-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001499921937 1402856356 /nfs/dbraw/zinc/85/63/56/1402856356.db2.gz ZTOYXABLUABICX-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001500380072 1403085041 /nfs/dbraw/zinc/08/50/41/1403085041.db2.gz JOUFACMLOIHCMY-HNAYVOBHSA-N 1 3 326.444 2.542 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(C)CCN(Cc2ccc(F)cc2)CC1 ZINC001500444369 1403127918 /nfs/dbraw/zinc/12/79/18/1403127918.db2.gz KOYFGUZYGZDVOK-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001508144475 1407314709 /nfs/dbraw/zinc/31/47/09/1407314709.db2.gz CWGNGEAFBFULRR-QLOJAFMTSA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2C)C1 ZINC001501083263 1403433299 /nfs/dbraw/zinc/43/32/99/1403433299.db2.gz GMNJXWTXRSIDTK-SJORKVTESA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001501084323 1403434659 /nfs/dbraw/zinc/43/46/59/1403434659.db2.gz TYUMISSRDLXEFZ-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)cc1 ZINC001501961498 1403907790 /nfs/dbraw/zinc/90/77/90/1403907790.db2.gz CAQCSWDBIFNIJJ-UHFFFAOYSA-N 1 3 329.488 2.608 20 0 EFADHO Cc1cccc(Cl)c1CNC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026284 1403957610 /nfs/dbraw/zinc/95/76/10/1403957610.db2.gz OTWCFKIBYCJWPN-HNNXBMFYSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1cccc(Cl)c1CNC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001502026284 1403957613 /nfs/dbraw/zinc/95/76/13/1403957613.db2.gz OTWCFKIBYCJWPN-HNNXBMFYSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126148 1404018460 /nfs/dbraw/zinc/01/84/60/1404018460.db2.gz RFFKRLKUPRQUHO-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126148 1404018469 /nfs/dbraw/zinc/01/84/69/1404018469.db2.gz RFFKRLKUPRQUHO-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001502145276 1404044513 /nfs/dbraw/zinc/04/45/13/1404044513.db2.gz NQHPSBGOTGQVBS-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccnc2C)CC1 ZINC001502145276 1404044518 /nfs/dbraw/zinc/04/45/18/1404044518.db2.gz NQHPSBGOTGQVBS-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1 ZINC001502380276 1404118710 /nfs/dbraw/zinc/11/87/10/1404118710.db2.gz HOUZDAZWJHNLAG-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1 ZINC001502380276 1404118716 /nfs/dbraw/zinc/11/87/16/1404118716.db2.gz HOUZDAZWJHNLAG-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H](C)C1 ZINC001502754019 1404326145 /nfs/dbraw/zinc/32/61/45/1404326145.db2.gz KFHZTFLOLFMBEK-JSGCOSHPSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001503004036 1404457052 /nfs/dbraw/zinc/45/70/52/1404457052.db2.gz VKWADIZDNPFHKO-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001503004036 1404457056 /nfs/dbraw/zinc/45/70/56/1404457056.db2.gz VKWADIZDNPFHKO-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001503004033 1404457542 /nfs/dbraw/zinc/45/75/42/1404457542.db2.gz VKWADIZDNPFHKO-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001503004033 1404457549 /nfs/dbraw/zinc/45/75/49/1404457549.db2.gz VKWADIZDNPFHKO-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505408746 1404566233 /nfs/dbraw/zinc/56/62/33/1404566233.db2.gz PGSHUQCQIVRXTE-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC001505459361 1404674889 /nfs/dbraw/zinc/67/48/89/1404674889.db2.gz PCVBSYZEHOGNSO-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001505459361 1404674896 /nfs/dbraw/zinc/67/48/96/1404674896.db2.gz PCVBSYZEHOGNSO-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001505836238 1405126516 /nfs/dbraw/zinc/12/65/16/1405126516.db2.gz AYIJIEOUGZPIHY-UHFFFAOYSA-N 1 3 346.450 2.674 20 0 EFADHO COc1cc(CN(C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)ccc1C ZINC001505939571 1405251896 /nfs/dbraw/zinc/25/18/96/1405251896.db2.gz KEZHXYDCPKPTIE-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001506650943 1406100858 /nfs/dbraw/zinc/10/08/58/1406100858.db2.gz RAUAULGITKFTLG-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001506670666 1406128481 /nfs/dbraw/zinc/12/84/81/1406128481.db2.gz KNEZXLUVNUSBAG-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@@]2(C)C1 ZINC001551083890 1413893009 /nfs/dbraw/zinc/89/30/09/1413893009.db2.gz BEMHKBMLRGXARH-TZIWHRDSSA-N 1 3 341.499 2.696 20 0 EFADHO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@@]2(C)C1 ZINC001551083890 1413893017 /nfs/dbraw/zinc/89/30/17/1413893017.db2.gz BEMHKBMLRGXARH-TZIWHRDSSA-N 1 3 341.499 2.696 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC001551200417 1413947339 /nfs/dbraw/zinc/94/73/39/1413947339.db2.gz YILMWLIHEFHQMC-SARBKMAYSA-N 1 3 348.535 2.519 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C12CCC2 ZINC001551238429 1413969604 /nfs/dbraw/zinc/96/96/04/1413969604.db2.gz SMAZVQPSOIPBSM-IAFLDTSXSA-N 1 3 336.520 2.957 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC001551238738 1413970518 /nfs/dbraw/zinc/97/05/18/1413970518.db2.gz YPYYYVUBCQELFJ-XDPIZLSQSA-N 1 3 336.520 2.815 20 0 EFADHO Cn1ccc(-c2nc(CN3C[C@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)cs2)n1 ZINC001551257990 1413980503 /nfs/dbraw/zinc/98/05/03/1413980503.db2.gz BPJFZOAWPZAOGQ-IIAWOOMASA-N 1 3 345.516 2.706 20 0 EFADHO Cc1nn2c(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c(C)nc2s1 ZINC001551262743 1413983715 /nfs/dbraw/zinc/98/37/15/1413983715.db2.gz RUZQZZYODCSMKG-KKUMJFAQSA-N 1 3 333.505 2.570 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3ccc(-c4ccc(F)cn4)n3)C[C@H]2C1 ZINC001551382897 1414052464 /nfs/dbraw/zinc/05/24/64/1414052464.db2.gz YJHMJOSMYZGLMR-BFYDXBDKSA-N 1 3 343.450 2.704 20 0 EFADHO C[C@@H](NC1CCC(C)([NH+]2CCOCC2)CC1)c1ncc(Cl)n1C ZINC001551402476 1414063622 /nfs/dbraw/zinc/06/36/22/1414063622.db2.gz VAEIBTYUHPACNT-TUBUQKNSSA-N 1 3 340.899 2.758 20 0 EFADHO Cn1nccc1[C@H]1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551403193 1414064081 /nfs/dbraw/zinc/06/40/81/1414064081.db2.gz XFQGJWWYQIZMSV-SARBKMAYSA-N 1 3 346.519 2.679 20 0 EFADHO Cn1nccc1[C@@H]1CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551403190 1414064455 /nfs/dbraw/zinc/06/44/55/1414064455.db2.gz XFQGJWWYQIZMSV-BHASAWDCSA-N 1 3 346.519 2.679 20 0 EFADHO Cn1nccc1[C@H]1CC[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551403192 1414064646 /nfs/dbraw/zinc/06/46/46/1414064646.db2.gz XFQGJWWYQIZMSV-FFEBTUMSSA-N 1 3 346.519 2.679 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)C34CCC4)c2C1 ZINC001552273369 1414401238 /nfs/dbraw/zinc/40/12/38/1414401238.db2.gz HSFQKMJVXRDJGJ-DLBZAZTESA-N 1 3 332.492 2.544 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC001552296074 1414409338 /nfs/dbraw/zinc/40/93/38/1414409338.db2.gz YDPVYMBQAFTGCC-MOPGFXCFSA-N 1 3 329.488 2.710 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001552296074 1414409341 /nfs/dbraw/zinc/40/93/41/1414409341.db2.gz YDPVYMBQAFTGCC-MOPGFXCFSA-N 1 3 329.488 2.710 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552297806 1414411012 /nfs/dbraw/zinc/41/10/12/1414411012.db2.gz VCNJYBJEJPVHHR-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001552297806 1414411015 /nfs/dbraw/zinc/41/10/15/1414411015.db2.gz VCNJYBJEJPVHHR-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO Cn1nccc1[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552382696 1414444835 /nfs/dbraw/zinc/44/48/35/1414444835.db2.gz UFMIXJJFQINVNY-UZLBHIALSA-N 1 3 346.519 2.884 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N2CCCC2)cc1 ZINC001552420288 1414451778 /nfs/dbraw/zinc/45/17/78/1414451778.db2.gz RNOZCWXPZLQTOF-RBUKOAKNSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCCC[NH2+]C2)N2CCCC2)cc1 ZINC001552420287 1414452075 /nfs/dbraw/zinc/45/20/75/1414452075.db2.gz RNOZCWXPZLQTOF-OALUTQOASA-N 1 3 329.488 2.638 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552432256 1414453507 /nfs/dbraw/zinc/45/35/07/1414453507.db2.gz LJVVCYQGUNHTQL-QRQLOZEOSA-N 1 3 327.472 2.602 20 0 EFADHO CCn1ccnc1[C@H]1OCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552777022 1414554394 /nfs/dbraw/zinc/55/43/94/1414554394.db2.gz YRYLENVUKZZJLJ-APWZRJJASA-N 1 3 346.519 2.977 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001552833082 1414578581 /nfs/dbraw/zinc/57/85/81/1414578581.db2.gz JWTHEJDWFLFKLQ-GUDVDZBRSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552833082 1414578584 /nfs/dbraw/zinc/57/85/84/1414578584.db2.gz JWTHEJDWFLFKLQ-GUDVDZBRSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC001552833082 1414578586 /nfs/dbraw/zinc/57/85/86/1414578586.db2.gz JWTHEJDWFLFKLQ-GUDVDZBRSA-N 1 3 346.519 2.788 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001552922520 1414605011 /nfs/dbraw/zinc/60/50/11/1414605011.db2.gz JIWKDQVNHVVVFL-AEFFLSMTSA-N 1 3 327.472 2.792 20 0 EFADHO NCc1cn([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC001553857923 1414942822 /nfs/dbraw/zinc/94/28/22/1414942822.db2.gz LPAIMCHHRRQMDO-INIZCTEOSA-N 1 3 339.468 2.912 20 0 EFADHO NCc1cn([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC001553857923 1414942828 /nfs/dbraw/zinc/94/28/28/1414942828.db2.gz LPAIMCHHRRQMDO-INIZCTEOSA-N 1 3 339.468 2.912 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001645878286 1416578363 /nfs/dbraw/zinc/57/83/63/1416578363.db2.gz VGALIRLXORMMPB-QGZVFWFLSA-N 1 3 329.488 2.672 20 0 EFADHO CC(CN1CCC[C@H](C(C)(C)O)C1)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001646136416 1416618346 /nfs/dbraw/zinc/61/83/46/1416618346.db2.gz PMQWQLNHGSUWTI-ROUUACIJSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CCC[C@H](C(C)(C)O)C1)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001646136416 1416618350 /nfs/dbraw/zinc/61/83/50/1416618350.db2.gz PMQWQLNHGSUWTI-ROUUACIJSA-N 1 3 340.552 2.588 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000123771974 1417073244 /nfs/dbraw/zinc/07/32/44/1417073244.db2.gz MBSJCHSICKLFRJ-UXHICEINSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000123771974 1417073249 /nfs/dbraw/zinc/07/32/49/1417073249.db2.gz MBSJCHSICKLFRJ-UXHICEINSA-N 1 3 343.515 2.745 20 0 EFADHO O=C(N[C@H]1CCN(CCCCCF)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690093024 1417151385 /nfs/dbraw/zinc/15/13/85/1417151385.db2.gz GQOGMGQURUPCDK-FUHWJXTLSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(N[C@H]1CCN(CCCCCF)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001690093024 1417151391 /nfs/dbraw/zinc/15/13/91/1417151391.db2.gz GQOGMGQURUPCDK-FUHWJXTLSA-N 1 3 339.499 2.724 20 0 EFADHO c1cnc2ccc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)cc2c1 ZINC000130386632 1417256729 /nfs/dbraw/zinc/25/67/29/1417256729.db2.gz LVOOWZMENHFHCN-KRWDZBQOSA-N 1 3 325.456 2.825 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713244799 1418412972 /nfs/dbraw/zinc/41/29/72/1418412972.db2.gz WWDDFGALQXQYFI-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001716549681 1418912081 /nfs/dbraw/zinc/91/20/81/1418912081.db2.gz HGWLSGXLVYKRCF-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000246495237 1419651771 /nfs/dbraw/zinc/65/17/71/1419651771.db2.gz PLFSFSQRVLYOKA-IPMKNSEASA-N 1 3 329.488 2.703 20 0 EFADHO Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)CN2CC[C@@H](C)C2)c1 ZINC001725421270 1425565678 /nfs/dbraw/zinc/56/56/78/1425565678.db2.gz YFLJFBGTUMTMOU-MSOLQXFVSA-N 1 3 331.504 2.711 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144331 712932945 /nfs/dbraw/zinc/93/29/45/712932945.db2.gz JTLNQJIJLJCBIC-IAGOWNOFSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144331 712932947 /nfs/dbraw/zinc/93/29/47/712932947.db2.gz JTLNQJIJLJCBIC-IAGOWNOFSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001020512387 713094781 /nfs/dbraw/zinc/09/47/81/713094781.db2.gz ZEBJRALHTHGCHO-WOYTXXSLSA-N 1 3 347.478 2.854 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001020512387 713094784 /nfs/dbraw/zinc/09/47/84/713094784.db2.gz ZEBJRALHTHGCHO-WOYTXXSLSA-N 1 3 347.478 2.854 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000969651800 713204575 /nfs/dbraw/zinc/20/45/75/713204575.db2.gz ALYQLCJVKCQGFY-XLIONFOSSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000969651800 713204577 /nfs/dbraw/zinc/20/45/77/713204577.db2.gz ALYQLCJVKCQGFY-XLIONFOSSA-N 1 3 343.515 2.804 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000969652021 713204751 /nfs/dbraw/zinc/20/47/51/713204751.db2.gz CWWLDZXNVSFJRZ-XLIONFOSSA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969652010 713204849 /nfs/dbraw/zinc/20/48/49/713204849.db2.gz CPCPGBXCFDCCQG-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969793646 713264141 /nfs/dbraw/zinc/26/41/41/713264141.db2.gz QJYHLSCWMKIMLU-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969794009 713264381 /nfs/dbraw/zinc/26/43/81/713264381.db2.gz UBIYTLQCNZQNQF-LPHOPBHVSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001020585100 713264891 /nfs/dbraw/zinc/26/48/91/713264891.db2.gz HQHNEZURXVHGMB-WDSOQIARSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC001020586012 713265405 /nfs/dbraw/zinc/26/54/05/713265405.db2.gz CEXIKQGQVVEYSQ-KLHDSHLOSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586368 713265446 /nfs/dbraw/zinc/26/54/46/713265446.db2.gz MWQXXDPVDCUNTQ-BRSBDYLESA-N 1 3 329.488 2.777 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC001020586050 713265474 /nfs/dbraw/zinc/26/54/74/713265474.db2.gz CRXDLKAOXCIPKD-DTTOXWODSA-N 1 3 333.451 2.608 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586216 713265737 /nfs/dbraw/zinc/26/57/37/713265737.db2.gz IHNMCPYHRUKOOD-NSISKUIASA-N 1 3 343.515 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020587904 713266613 /nfs/dbraw/zinc/26/66/13/713266613.db2.gz ZQICBVXEQOVQHP-SZMVWBNQSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001020587675 713266716 /nfs/dbraw/zinc/26/67/16/713266716.db2.gz QCECXSSVHJVXRI-UHEFJODHSA-N 1 3 345.462 2.534 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001020588435 713266816 /nfs/dbraw/zinc/26/68/16/713266816.db2.gz ASJACVAIYLJVHO-NSISKUIASA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc4ccccc4o3)C2)C1 ZINC001020588682 713267108 /nfs/dbraw/zinc/26/71/08/713267108.db2.gz JHUBWLAXENKMBP-XIRDDKMYSA-N 1 3 341.455 2.511 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001020589230 713267193 /nfs/dbraw/zinc/26/71/93/713267193.db2.gz ZRPNDAJKMWVSQX-BHIYHBOVSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001020586443 713267442 /nfs/dbraw/zinc/26/74/42/713267442.db2.gz OLBVBWCISUPPGW-ZLIFDBKOSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001020586689 713267658 /nfs/dbraw/zinc/26/76/58/713267658.db2.gz VYGIISVFWOZIHN-QKPAOTATSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC001020586620 713267677 /nfs/dbraw/zinc/26/76/77/713267677.db2.gz UAZUCYGHUZDUAJ-JHJVBQTASA-N 1 3 341.908 2.623 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001020586611 713267696 /nfs/dbraw/zinc/26/76/96/713267696.db2.gz TTYDPGGDNGLMEH-BHIYHBOVSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(Cl)c1 ZINC001020586834 713267754 /nfs/dbraw/zinc/26/77/54/713267754.db2.gz ZZOFGJGVIIBFBF-DJIMGWMZSA-N 1 3 349.906 2.870 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)C1 ZINC001020589997 713268680 /nfs/dbraw/zinc/26/86/80/713268680.db2.gz JRIKPKBTELGQLB-DLVXIWMQSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001020590044 713268793 /nfs/dbraw/zinc/26/87/93/713268793.db2.gz KXAGDLXOQLFRHJ-CAMMJAKZSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001020590130 713268956 /nfs/dbraw/zinc/26/89/56/713268956.db2.gz NAEGCABSYULWRR-DACLVMHWSA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001020591454 713269931 /nfs/dbraw/zinc/26/99/31/713269931.db2.gz OHYBIZPINNJHGY-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836605 713276519 /nfs/dbraw/zinc/27/65/19/713276519.db2.gz NCUHAGGMGCLBFO-APWZRJJASA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836605 713276521 /nfs/dbraw/zinc/27/65/21/713276521.db2.gz NCUHAGGMGCLBFO-APWZRJJASA-N 1 3 333.520 2.796 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001020593126 713271448 /nfs/dbraw/zinc/27/14/48/713271448.db2.gz XQCNGGGVMKFBMC-QSPRXWTASA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001020593126 713271451 /nfs/dbraw/zinc/27/14/51/713271451.db2.gz XQCNGGGVMKFBMC-QSPRXWTASA-N 1 3 349.906 2.583 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC000969844080 713279367 /nfs/dbraw/zinc/27/93/67/713279367.db2.gz DSRBNCCZDUKXLO-IIDMSEBBSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845374 713280387 /nfs/dbraw/zinc/28/03/87/713280387.db2.gz AMWVQZUSBGQUKD-YQVWRLOYSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000969845779 713280570 /nfs/dbraw/zinc/28/05/70/713280570.db2.gz JKYPWKMNRFCGOR-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000969947219 713319952 /nfs/dbraw/zinc/31/99/52/713319952.db2.gz BROSQKZEEMBURG-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000969947217 713320046 /nfs/dbraw/zinc/32/00/46/713320046.db2.gz BROSQKZEEMBURG-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000969949268 713320162 /nfs/dbraw/zinc/32/01/62/713320162.db2.gz PMJVANDBFOVVDH-VQIMIIECSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000969950907 713320809 /nfs/dbraw/zinc/32/08/09/713320809.db2.gz KWYQDNGKEDYLBO-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000969950910 713320817 /nfs/dbraw/zinc/32/08/17/713320817.db2.gz KWYQDNGKEDYLBO-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000969954186 713321357 /nfs/dbraw/zinc/32/13/57/713321357.db2.gz AZTIRKQCPBCFMF-YLJYHZDGSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000969954185 713321360 /nfs/dbraw/zinc/32/13/60/713321360.db2.gz AZTIRKQCPBCFMF-FXAWDEMLSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC000969954207 713321416 /nfs/dbraw/zinc/32/14/16/713321416.db2.gz BNWYYUYSUPLZES-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC000969954578 713321596 /nfs/dbraw/zinc/32/15/96/713321596.db2.gz HCFASRPYLNCHTE-CRAIPNDOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969969153 713326790 /nfs/dbraw/zinc/32/67/90/713326790.db2.gz YTVSAQYEKBZDAJ-SJLPKXTDSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC000969985614 713334492 /nfs/dbraw/zinc/33/44/92/713334492.db2.gz JRTKWOGFNVUUSA-SQNIBIBYSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC000969986351 713334843 /nfs/dbraw/zinc/33/48/43/713334843.db2.gz YLNLZBIVJGXNBH-XWIAVFTESA-N 1 3 349.906 2.858 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001020673802 713345206 /nfs/dbraw/zinc/34/52/06/713345206.db2.gz QQHNOEHLHZDLOZ-SZMVWBNQSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020676182 713345964 /nfs/dbraw/zinc/34/59/64/713345964.db2.gz VTEBMQOWQAWKIH-BZSNNMDCSA-N 1 3 335.536 2.922 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001020719816 713371684 /nfs/dbraw/zinc/37/16/84/713371684.db2.gz RNTGEWCGWHJTND-LSTDLKDCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001020719816 713371687 /nfs/dbraw/zinc/37/16/87/713371687.db2.gz RNTGEWCGWHJTND-LSTDLKDCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719818 713371799 /nfs/dbraw/zinc/37/17/99/713371799.db2.gz RNTGEWCGWHJTND-YWTNHNAXSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719818 713371800 /nfs/dbraw/zinc/37/18/00/713371800.db2.gz RNTGEWCGWHJTND-YWTNHNAXSA-N 1 3 345.462 2.579 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103723 713398362 /nfs/dbraw/zinc/39/83/62/713398362.db2.gz UGGMQFRZTBJWRF-QGZVFWFLSA-N 1 3 348.450 2.805 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001020980627 713466051 /nfs/dbraw/zinc/46/60/51/713466051.db2.gz OGDFQIAYQUNSML-FVQBIDKESA-N 1 3 326.444 2.567 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001020980913 713466227 /nfs/dbraw/zinc/46/62/27/713466227.db2.gz WERIUYHPFLYWLW-IYARVYRRSA-N 1 3 340.471 2.821 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001020981883 713466874 /nfs/dbraw/zinc/46/68/74/713466874.db2.gz RFHGFCVDBSMUIR-HJWJTTGWSA-N 1 3 332.492 2.714 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC000970171665 713497971 /nfs/dbraw/zinc/49/79/71/713497971.db2.gz LIUZNTYAOVOQLZ-FUHWJXTLSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000970176611 713506403 /nfs/dbraw/zinc/50/64/03/713506403.db2.gz FCRQHHODBYGXLP-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000970177564 713508443 /nfs/dbraw/zinc/50/84/43/713508443.db2.gz YQHDPEVLWAVERV-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000970177564 713508445 /nfs/dbraw/zinc/50/84/45/713508445.db2.gz YQHDPEVLWAVERV-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001021044026 713530761 /nfs/dbraw/zinc/53/07/61/713530761.db2.gz ICYMLCZISCZJIT-XGUBFFRZSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001021044026 713530765 /nfs/dbraw/zinc/53/07/65/713530765.db2.gz ICYMLCZISCZJIT-XGUBFFRZSA-N 1 3 335.879 2.590 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c(C)c1 ZINC001021090058 713562240 /nfs/dbraw/zinc/56/22/40/713562240.db2.gz FABZHKGYBGNADG-ZULIPRJHSA-N 1 3 343.515 2.913 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001021090988 713562919 /nfs/dbraw/zinc/56/29/19/713562919.db2.gz PXWDQOPOCIMVNS-LAQRGFTBSA-N 1 3 333.520 2.676 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC001021091858 713563163 /nfs/dbraw/zinc/56/31/63/713563163.db2.gz YBGMCYFRPKAQPC-MXVIHJGJSA-N 1 3 337.467 2.799 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001021094649 713564641 /nfs/dbraw/zinc/56/46/41/713564641.db2.gz XAAXLPOYQVXWEB-FHWLQOOXSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001021096281 713575154 /nfs/dbraw/zinc/57/51/54/713575154.db2.gz LRFVELWLBLTKJM-ZULIPRJHSA-N 1 3 341.499 2.785 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001021096225 713575274 /nfs/dbraw/zinc/57/52/74/713575274.db2.gz JYDHHKJDILVJBR-BZSNNMDCSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c(C)c1 ZINC000970337853 713640406 /nfs/dbraw/zinc/64/04/06/713640406.db2.gz YMDDAPVVIOAWFR-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000970337962 713640427 /nfs/dbraw/zinc/64/04/27/713640427.db2.gz YXDGNRIDVBXCFR-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC000970337850 713640439 /nfs/dbraw/zinc/64/04/39/713640439.db2.gz YGOMPVXERIWCKW-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC000970335565 713644706 /nfs/dbraw/zinc/64/47/06/713644706.db2.gz RJWAQIMPWDUWNM-PKOBYXMFSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970366990 713667153 /nfs/dbraw/zinc/66/71/53/713667153.db2.gz OYJMCCSZYSCKNY-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC000970371113 713669437 /nfs/dbraw/zinc/66/94/37/713669437.db2.gz BCKVNSXXTZEZPD-HOTGVXAUSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1cc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000970372909 713671384 /nfs/dbraw/zinc/67/13/84/713671384.db2.gz XEQHNMZDFPBJGG-CQSZACIVSA-N 1 3 349.544 2.643 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173426 713706471 /nfs/dbraw/zinc/70/64/71/713706471.db2.gz WJFCOCCUCNFKLC-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173426 713706472 /nfs/dbraw/zinc/70/64/72/713706472.db2.gz WJFCOCCUCNFKLC-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530422 713781019 /nfs/dbraw/zinc/78/10/19/713781019.db2.gz ZMUBKKAEHINXJM-FXAWDEMLSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530422 713781021 /nfs/dbraw/zinc/78/10/21/713781021.db2.gz ZMUBKKAEHINXJM-FXAWDEMLSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530424 713781029 /nfs/dbraw/zinc/78/10/29/713781029.db2.gz ZMUBKKAEHINXJM-XLIONFOSSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530424 713781032 /nfs/dbraw/zinc/78/10/32/713781032.db2.gz ZMUBKKAEHINXJM-XLIONFOSSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)C1 ZINC001021380620 713852255 /nfs/dbraw/zinc/85/22/55/713852255.db2.gz NIEHYIFFARRVMG-CCNLRDMRSA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)C1 ZINC001021380620 713852256 /nfs/dbraw/zinc/85/22/56/713852256.db2.gz NIEHYIFFARRVMG-CCNLRDMRSA-N 1 3 347.528 2.702 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001021448170 713925906 /nfs/dbraw/zinc/92/59/06/713925906.db2.gz KRJXNEOZTSZGRF-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001021448170 713925909 /nfs/dbraw/zinc/92/59/09/713925909.db2.gz KRJXNEOZTSZGRF-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970716916 713930763 /nfs/dbraw/zinc/93/07/63/713930763.db2.gz IPFAGUBANTZAIH-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970717602 713931866 /nfs/dbraw/zinc/93/18/66/713931866.db2.gz DMFLNHKYUAGFBR-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC000970719889 713933740 /nfs/dbraw/zinc/93/37/40/713933740.db2.gz MQTDCJWEYKANAO-RHSMWYFYSA-N 1 3 335.879 2.687 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC000970792503 713997400 /nfs/dbraw/zinc/99/74/00/713997400.db2.gz LOOLTMPEWMVGME-DLBZAZTESA-N 1 3 347.478 2.953 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000970796287 714002191 /nfs/dbraw/zinc/00/21/91/714002191.db2.gz MEWGMUDAFYEHBR-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000970800037 714009274 /nfs/dbraw/zinc/00/92/74/714009274.db2.gz KYXAMPFXVGDFMJ-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C1 ZINC000980229038 717947244 /nfs/dbraw/zinc/94/72/44/717947244.db2.gz HVAYFKYYXKQNOW-GVDBMIGSSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2C1 ZINC000980229038 717947247 /nfs/dbraw/zinc/94/72/47/717947247.db2.gz HVAYFKYYXKQNOW-GVDBMIGSSA-N 1 3 346.519 2.914 20 0 EFADHO CC(C)c1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970870759 714089199 /nfs/dbraw/zinc/08/91/99/714089199.db2.gz VYCUIZWUCSJFIV-LPHOPBHVSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970870759 714089201 /nfs/dbraw/zinc/08/92/01/714089201.db2.gz VYCUIZWUCSJFIV-LPHOPBHVSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876514 714093801 /nfs/dbraw/zinc/09/38/01/714093801.db2.gz GUQJFIWWMMMBPU-FUHWJXTLSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876514 714093803 /nfs/dbraw/zinc/09/38/03/714093803.db2.gz GUQJFIWWMMMBPU-FUHWJXTLSA-N 1 3 343.515 2.698 20 0 EFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970876258 714095233 /nfs/dbraw/zinc/09/52/33/714095233.db2.gz UDQLTFLDVOQIHH-LPHOPBHVSA-N 1 3 343.515 2.527 20 0 EFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970876258 714095237 /nfs/dbraw/zinc/09/52/37/714095237.db2.gz UDQLTFLDVOQIHH-LPHOPBHVSA-N 1 3 343.515 2.527 20 0 EFADHO CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929401 714145829 /nfs/dbraw/zinc/14/58/29/714145829.db2.gz QVCZYFLYSIXUMC-HOTGVXAUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CCCC2)C1 ZINC000970929373 714146106 /nfs/dbraw/zinc/14/61/06/714146106.db2.gz QJQKQLALRVVRAJ-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@@H]21)C1CCC1 ZINC001021605046 714164264 /nfs/dbraw/zinc/16/42/64/714164264.db2.gz JFTBKRWBGNQTCH-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@@H]21)C1CCC1 ZINC001021605046 714164266 /nfs/dbraw/zinc/16/42/66/714164266.db2.gz JFTBKRWBGNQTCH-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261545177 714231418 /nfs/dbraw/zinc/23/14/18/714231418.db2.gz FTUMZLAIQWCVCV-BPIHKTFHSA-N 1 3 329.488 2.544 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980247612 717960358 /nfs/dbraw/zinc/96/03/58/717960358.db2.gz RNMIOWKKLRUISP-OTWHNJEPSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980247612 717960361 /nfs/dbraw/zinc/96/03/61/717960361.db2.gz RNMIOWKKLRUISP-OTWHNJEPSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980247608 717960373 /nfs/dbraw/zinc/96/03/73/717960373.db2.gz RNMIOWKKLRUISP-GBESFXJTSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980247608 717960375 /nfs/dbraw/zinc/96/03/75/717960375.db2.gz RNMIOWKKLRUISP-GBESFXJTSA-N 1 3 329.488 2.598 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3=CCCCC3)CC[C@H]21 ZINC001021676985 714285551 /nfs/dbraw/zinc/28/55/51/714285551.db2.gz FTSJLCIUYXBHHH-PKOBYXMFSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]21 ZINC001021676985 714285553 /nfs/dbraw/zinc/28/55/53/714285553.db2.gz FTSJLCIUYXBHHH-PKOBYXMFSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001021676982 714285700 /nfs/dbraw/zinc/28/57/00/714285700.db2.gz FTSJLCIUYXBHHH-MJGOQNOKSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001021676982 714285701 /nfs/dbraw/zinc/28/57/01/714285701.db2.gz FTSJLCIUYXBHHH-MJGOQNOKSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001021676635 714286950 /nfs/dbraw/zinc/28/69/50/714286950.db2.gz DAAUNPNMGAAJSP-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001021676635 714286953 /nfs/dbraw/zinc/28/69/53/714286953.db2.gz DAAUNPNMGAAJSP-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)ONC(=O)OC(C)(C)C ZINC000399007401 717972261 /nfs/dbraw/zinc/97/22/61/717972261.db2.gz PNEMNMBYMYQCEA-UYTSQGDYSA-N 1 3 341.496 2.682 20 0 EFADHO CCC(CC)CN1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000949475242 714396835 /nfs/dbraw/zinc/39/68/35/714396835.db2.gz KRLKWGFRLVFCMF-UHFFFAOYSA-N 1 3 345.531 2.985 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206016 714463727 /nfs/dbraw/zinc/46/37/27/714463727.db2.gz YRILLIXFBIWCEL-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206016 714463728 /nfs/dbraw/zinc/46/37/28/714463728.db2.gz YRILLIXFBIWCEL-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207214 714464017 /nfs/dbraw/zinc/46/40/17/714464017.db2.gz AIYOKFWCCCUXHK-QZTJIDSGSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207214 714464018 /nfs/dbraw/zinc/46/40/18/714464018.db2.gz AIYOKFWCCCUXHK-QZTJIDSGSA-N 1 3 349.906 2.509 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980255859 717986227 /nfs/dbraw/zinc/98/62/27/717986227.db2.gz PXTCRFOAOLRPOP-RYQLBKOJSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980255859 717986230 /nfs/dbraw/zinc/98/62/30/717986230.db2.gz PXTCRFOAOLRPOP-RYQLBKOJSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000891403243 714626594 /nfs/dbraw/zinc/62/65/94/714626594.db2.gz KPZBITQJPWGKDS-BHIYHBOVSA-N 1 3 344.503 2.591 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521839 714688407 /nfs/dbraw/zinc/68/84/07/714688407.db2.gz DYFXDEXSLAOZEK-MOPGFXCFSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521839 714688408 /nfs/dbraw/zinc/68/84/08/714688408.db2.gz DYFXDEXSLAOZEK-MOPGFXCFSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524887 714689768 /nfs/dbraw/zinc/68/97/68/714689768.db2.gz LQOVSFKZZBGARM-MOPGFXCFSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524887 714689770 /nfs/dbraw/zinc/68/97/70/714689770.db2.gz LQOVSFKZZBGARM-MOPGFXCFSA-N 1 3 347.478 2.731 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560861 714708179 /nfs/dbraw/zinc/70/81/79/714708179.db2.gz MRILWLHVCQJRKT-AYOQOUSVSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560861 714708181 /nfs/dbraw/zinc/70/81/81/714708181.db2.gz MRILWLHVCQJRKT-AYOQOUSVSA-N 1 3 347.478 2.507 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971564595 714709933 /nfs/dbraw/zinc/70/99/33/714709933.db2.gz YXQPHOQWWCJAIE-FHLIZLRMSA-N 1 3 349.906 2.713 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971564595 714709935 /nfs/dbraw/zinc/70/99/35/714709935.db2.gz YXQPHOQWWCJAIE-FHLIZLRMSA-N 1 3 349.906 2.713 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000971566587 714710444 /nfs/dbraw/zinc/71/04/44/714710444.db2.gz HACBJPMFJURSCC-CEXWTWQISA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC000971566587 714710446 /nfs/dbraw/zinc/71/04/46/714710446.db2.gz HACBJPMFJURSCC-CEXWTWQISA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)N1CCCCC1 ZINC001022078263 714732313 /nfs/dbraw/zinc/73/23/13/714732313.db2.gz ZSKLVLDXAPQCAH-KDURUIRLSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)N1CCCCC1 ZINC001022081282 714734265 /nfs/dbraw/zinc/73/42/65/714734265.db2.gz AYTRQMWPHRRBOG-IYBDPMFKSA-N 1 3 335.517 2.749 20 0 EFADHO CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC000891541009 714812289 /nfs/dbraw/zinc/81/22/89/714812289.db2.gz ZQLSIWRZURFFLM-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971675183 714871038 /nfs/dbraw/zinc/87/10/38/714871038.db2.gz YGJJPHBJQISTEG-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971675183 714871041 /nfs/dbraw/zinc/87/10/41/714871041.db2.gz YGJJPHBJQISTEG-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCC3CCCCC3)C2)CCC1 ZINC000971676819 714874283 /nfs/dbraw/zinc/87/42/83/714874283.db2.gz HAUHTDKZPVJOHA-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)CCC1 ZINC000971676819 714874285 /nfs/dbraw/zinc/87/42/85/714874285.db2.gz HAUHTDKZPVJOHA-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677352 714874531 /nfs/dbraw/zinc/87/45/31/714874531.db2.gz JEMOUYDCRZLMQG-ROUUACIJSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677352 714874533 /nfs/dbraw/zinc/87/45/33/714874533.db2.gz JEMOUYDCRZLMQG-ROUUACIJSA-N 1 3 349.544 2.738 20 0 EFADHO CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000971677945 714875179 /nfs/dbraw/zinc/87/51/79/714875179.db2.gz LJTYQVIRWCZNIB-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000971677945 714875180 /nfs/dbraw/zinc/87/51/80/714875180.db2.gz LJTYQVIRWCZNIB-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678555 714875478 /nfs/dbraw/zinc/87/54/78/714875478.db2.gz OAZMDYJRBAEHDT-QUCCMNQESA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678555 714875480 /nfs/dbraw/zinc/87/54/80/714875480.db2.gz OAZMDYJRBAEHDT-QUCCMNQESA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679173 714877007 /nfs/dbraw/zinc/87/70/07/714877007.db2.gz RVBUIWTXCDMXQG-GOSISDBHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679173 714877010 /nfs/dbraw/zinc/87/70/10/714877010.db2.gz RVBUIWTXCDMXQG-GOSISDBHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681882 714880053 /nfs/dbraw/zinc/88/00/53/714880053.db2.gz DXNQRQFYYMGSDU-RBUKOAKNSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681882 714880056 /nfs/dbraw/zinc/88/00/56/714880056.db2.gz DXNQRQFYYMGSDU-RBUKOAKNSA-N 1 3 347.478 2.507 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000971688177 714883351 /nfs/dbraw/zinc/88/33/51/714883351.db2.gz SIMICXYJRSWMCP-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000971688177 714883353 /nfs/dbraw/zinc/88/33/53/714883353.db2.gz SIMICXYJRSWMCP-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000971688178 714883568 /nfs/dbraw/zinc/88/35/68/714883568.db2.gz SIMICXYJRSWMCP-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000971688178 714883570 /nfs/dbraw/zinc/88/35/70/714883570.db2.gz SIMICXYJRSWMCP-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685740 714885211 /nfs/dbraw/zinc/88/52/11/714885211.db2.gz OVOVHUFGZWJVDZ-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685740 714885213 /nfs/dbraw/zinc/88/52/13/714885213.db2.gz OVOVHUFGZWJVDZ-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000971715161 714904362 /nfs/dbraw/zinc/90/43/62/714904362.db2.gz FYJKUNHIODJJDA-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000971715161 714904365 /nfs/dbraw/zinc/90/43/65/714904365.db2.gz FYJKUNHIODJJDA-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cs1 ZINC000971735861 714920287 /nfs/dbraw/zinc/92/02/87/714920287.db2.gz MVRQIKCJCQNPKK-SJORKVTESA-N 1 3 337.533 2.675 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccsc1 ZINC000947725573 718017055 /nfs/dbraw/zinc/01/70/55/718017055.db2.gz AWPWGNYJVWDFNL-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccsc1 ZINC000947725573 718017059 /nfs/dbraw/zinc/01/70/59/718017059.db2.gz AWPWGNYJVWDFNL-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000971777265 714956356 /nfs/dbraw/zinc/95/63/56/714956356.db2.gz CVGYFCAJZVFKDH-WOJBJXKFSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000971777265 714956359 /nfs/dbraw/zinc/95/63/59/714956359.db2.gz CVGYFCAJZVFKDH-WOJBJXKFSA-N 1 3 343.515 2.548 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971778633 714956917 /nfs/dbraw/zinc/95/69/17/714956917.db2.gz PHPZHYCJQKTAAN-WOJBJXKFSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971778633 714956919 /nfs/dbraw/zinc/95/69/19/714956919.db2.gz PHPZHYCJQKTAAN-WOJBJXKFSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000971785106 714958579 /nfs/dbraw/zinc/95/85/79/714958579.db2.gz RBXCCTKTBJJEDY-ZWKOTPCHSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000971785106 714958581 /nfs/dbraw/zinc/95/85/81/714958581.db2.gz RBXCCTKTBJJEDY-ZWKOTPCHSA-N 1 3 335.467 2.507 20 0 EFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000891722527 714976337 /nfs/dbraw/zinc/97/63/37/714976337.db2.gz DYSGYGZSXAZHBB-SQNIBIBYSA-N 1 3 344.503 2.509 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022351134 715033792 /nfs/dbraw/zinc/03/37/92/715033792.db2.gz UTTPDZAJBWKUHL-SCTDSRPQSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022351134 715033795 /nfs/dbraw/zinc/03/37/95/715033795.db2.gz UTTPDZAJBWKUHL-SCTDSRPQSA-N 1 3 347.478 2.683 20 0 EFADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCCN(C)C1 ZINC000891846153 715059128 /nfs/dbraw/zinc/05/91/28/715059128.db2.gz IYMAERJWRCWOOU-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO CN(CC1CC[NH+](C)CC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000891871853 715079746 /nfs/dbraw/zinc/07/97/46/715079746.db2.gz WEALHBRVPMCHHG-IBGZPJMESA-N 1 3 330.451 2.922 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)cs1 ZINC000971860556 715113162 /nfs/dbraw/zinc/11/31/62/715113162.db2.gz BEGMQRJQFGRDHA-KRWDZBQOSA-N 1 3 347.528 2.718 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724048152 715157250 /nfs/dbraw/zinc/15/72/50/715157250.db2.gz MENVJWVERZZBJL-HOTGVXAUSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000724048156 715157306 /nfs/dbraw/zinc/15/73/06/715157306.db2.gz MENVJWVERZZBJL-JKSUJKDBSA-N 1 3 327.513 3.000 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022585292 715234796 /nfs/dbraw/zinc/23/47/96/715234796.db2.gz NSGLZECOOOWNMT-OKZBNKHCSA-N 1 3 347.478 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022585292 715234798 /nfs/dbraw/zinc/23/47/98/715234798.db2.gz NSGLZECOOOWNMT-OKZBNKHCSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cs1 ZINC000972069818 715290136 /nfs/dbraw/zinc/29/01/36/715290136.db2.gz KQKUDCQMOKRSKK-KRWDZBQOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042530 715336961 /nfs/dbraw/zinc/33/69/61/715336961.db2.gz HLAUKCCGGIAHJG-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027043095 715337354 /nfs/dbraw/zinc/33/73/54/715337354.db2.gz VYCUFYNLXPPSFE-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027043094 715337571 /nfs/dbraw/zinc/33/75/71/715337571.db2.gz VYCUFYNLXPPSFE-FXAWDEMLSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027044263 715340567 /nfs/dbraw/zinc/34/05/67/715340567.db2.gz TXHXDWRKKVYVNW-QFBILLFUSA-N 1 3 349.494 2.658 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943106 715363043 /nfs/dbraw/zinc/36/30/43/715363043.db2.gz DDAGAAPHNUZOAA-MSOLQXFVSA-N 1 3 335.536 2.901 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943106 715363048 /nfs/dbraw/zinc/36/30/48/715363048.db2.gz DDAGAAPHNUZOAA-MSOLQXFVSA-N 1 3 335.536 2.901 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000895904379 724386203 /nfs/dbraw/zinc/38/62/03/724386203.db2.gz ULBAOTYPIGUMRG-MAUKXSAKSA-N 1 3 335.492 2.581 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001022712219 715408224 /nfs/dbraw/zinc/40/82/24/715408224.db2.gz MRQBDZANWJJEAI-PHXBYCTMSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022711676 715408714 /nfs/dbraw/zinc/40/87/14/715408714.db2.gz CNFLTUQMDRTDBV-NXHRZFHOSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001022712452 715411454 /nfs/dbraw/zinc/41/14/54/715411454.db2.gz QRALHHAKQUGUDX-PBWTXFEYSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001022712470 715411468 /nfs/dbraw/zinc/41/14/68/715411468.db2.gz RFJDVAQDQALMCT-IHETXDGRSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001022712469 715411612 /nfs/dbraw/zinc/41/16/12/715411612.db2.gz RFJDVAQDQALMCT-DTDBQYNISA-N 1 3 333.451 2.608 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001027062982 715414224 /nfs/dbraw/zinc/41/42/24/715414224.db2.gz GFIDVBLXIKXHCJ-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001027062837 715414725 /nfs/dbraw/zinc/41/47/25/715414725.db2.gz COQISGKIXCVYDQ-ROUUACIJSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001027063252 715415012 /nfs/dbraw/zinc/41/50/12/715415012.db2.gz JQVDEFVBLMPKES-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063096 715415382 /nfs/dbraw/zinc/41/53/82/715415382.db2.gz HKODUXNWCPDAIF-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063230 715415483 /nfs/dbraw/zinc/41/54/83/715415483.db2.gz JFIUXLYCQDBYNM-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001022713581 715415760 /nfs/dbraw/zinc/41/57/60/715415760.db2.gz KXAGDLXOQLFRHJ-PBWTXFEYSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063980 715417302 /nfs/dbraw/zinc/41/73/02/715417302.db2.gz WRWQTASQTAFLKH-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064580 715418051 /nfs/dbraw/zinc/41/80/51/715418051.db2.gz HDJBQNYZBHBBES-VQIMIIECSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027064988 715419062 /nfs/dbraw/zinc/41/90/62/715419062.db2.gz OFXMRENCCXDWOM-LPHOPBHVSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001027065166 715419627 /nfs/dbraw/zinc/41/96/27/715419627.db2.gz RYPCKKHLSJXUNW-NVXWUHKLSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001027065167 715419743 /nfs/dbraw/zinc/41/97/43/715419743.db2.gz RYPCKKHLSJXUNW-RDJZCZTQSA-N 1 3 349.906 2.620 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027065148 715419907 /nfs/dbraw/zinc/41/99/07/715419907.db2.gz RQHALKMVZHANNE-QZTJIDSGSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001027065398 715421038 /nfs/dbraw/zinc/42/10/38/715421038.db2.gz XYJPIVNBFBHYPL-WBVHZDCISA-N 1 3 349.906 2.620 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001027066583 715422994 /nfs/dbraw/zinc/42/29/94/715422994.db2.gz UPABEACSXHJQIU-KRWDZBQOSA-N 1 3 347.547 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001022715713 715429926 /nfs/dbraw/zinc/42/99/26/715429926.db2.gz KXPVBEVMBILDKI-RYQLBKOJSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001022716660 715433855 /nfs/dbraw/zinc/43/38/55/715433855.db2.gz DITMCEWAROBKPQ-OLMNPRSZSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034837 715458163 /nfs/dbraw/zinc/45/81/63/715458163.db2.gz GDXFQCHRSLLOFV-BEFAXECRSA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034837 715458167 /nfs/dbraw/zinc/45/81/67/715458167.db2.gz GDXFQCHRSLLOFV-BEFAXECRSA-N 1 3 341.515 2.682 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3C[C@@H](O)C34CCOCC4)CC2)C1 ZINC000895915358 724391664 /nfs/dbraw/zinc/39/16/64/724391664.db2.gz VPKYGVVRJWDQMX-QXCFHYIPSA-N 1 3 336.520 2.549 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001027334770 715467640 /nfs/dbraw/zinc/46/76/40/715467640.db2.gz URUNWFFWNBGRMW-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001027334770 715467645 /nfs/dbraw/zinc/46/76/45/715467645.db2.gz URUNWFFWNBGRMW-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000892259826 715488163 /nfs/dbraw/zinc/48/81/63/715488163.db2.gz DGDKCPJKHUUKDB-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000892259826 715488166 /nfs/dbraw/zinc/48/81/66/715488166.db2.gz DGDKCPJKHUUKDB-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001027070057 715494043 /nfs/dbraw/zinc/49/40/43/715494043.db2.gz HNUGEDMLLUHXKO-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001027070649 715494581 /nfs/dbraw/zinc/49/45/81/715494581.db2.gz VIIALFCDDYTTCR-MSOLQXFVSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001027070546 715494744 /nfs/dbraw/zinc/49/47/44/715494744.db2.gz SXVXVMYWLGSJDG-XLIONFOSSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC001027089723 715541343 /nfs/dbraw/zinc/54/13/43/715541343.db2.gz CAEVSZBJOFIAMG-KGLIPLIRSA-N 1 3 346.862 2.805 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001027089779 715541652 /nfs/dbraw/zinc/54/16/52/715541652.db2.gz DDZKXYPTSKCNPD-QGZVFWFLSA-N 1 3 340.471 2.516 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001027091627 715545870 /nfs/dbraw/zinc/54/58/70/715545870.db2.gz QVDOIVJDMHCQQJ-CQSZACIVSA-N 1 3 348.397 2.528 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091836 715546254 /nfs/dbraw/zinc/54/62/54/715546254.db2.gz VQWPKFLVQXSQQW-AWEZNQCLSA-N 1 3 346.862 2.552 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972264736 715610901 /nfs/dbraw/zinc/61/09/01/715610901.db2.gz HHWJLZSNGMBAAK-RBUKOAKNSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000972265599 715612387 /nfs/dbraw/zinc/61/23/87/715612387.db2.gz NQZGWGDPJYVMRE-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000972265599 715612394 /nfs/dbraw/zinc/61/23/94/715612394.db2.gz NQZGWGDPJYVMRE-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972330420 715700895 /nfs/dbraw/zinc/70/08/95/715700895.db2.gz GDFNLXHUNYKCQF-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972330420 715700897 /nfs/dbraw/zinc/70/08/97/715700897.db2.gz GDFNLXHUNYKCQF-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330436 715700942 /nfs/dbraw/zinc/70/09/42/715700942.db2.gz GFYDMKXMYRWJNQ-WMZOPIPTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330436 715700944 /nfs/dbraw/zinc/70/09/44/715700944.db2.gz GFYDMKXMYRWJNQ-WMZOPIPTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330432 715701283 /nfs/dbraw/zinc/70/12/83/715701283.db2.gz GFYDMKXMYRWJNQ-AEFFLSMTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000972330432 715701288 /nfs/dbraw/zinc/70/12/88/715701288.db2.gz GFYDMKXMYRWJNQ-AEFFLSMTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331454 715703811 /nfs/dbraw/zinc/70/38/11/715703811.db2.gz KZDMIVVRTAIJQH-LPHOPBHVSA-N 1 3 347.478 2.673 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331454 715703816 /nfs/dbraw/zinc/70/38/16/715703816.db2.gz KZDMIVVRTAIJQH-LPHOPBHVSA-N 1 3 347.478 2.673 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000972331487 715704064 /nfs/dbraw/zinc/70/40/64/715704064.db2.gz LIYRDJLTHPDQGC-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000972331487 715704068 /nfs/dbraw/zinc/70/40/68/715704068.db2.gz LIYRDJLTHPDQGC-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972332939 715704589 /nfs/dbraw/zinc/70/45/89/715704589.db2.gz RZZRJFYXCLNYMM-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972332939 715704592 /nfs/dbraw/zinc/70/45/92/715704592.db2.gz RZZRJFYXCLNYMM-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000972334176 715707312 /nfs/dbraw/zinc/70/73/12/715707312.db2.gz FDERLYJHGBJQED-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000972334176 715707316 /nfs/dbraw/zinc/70/73/16/715707316.db2.gz FDERLYJHGBJQED-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000972334178 715707560 /nfs/dbraw/zinc/70/75/60/715707560.db2.gz FDERLYJHGBJQED-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000972334178 715707562 /nfs/dbraw/zinc/70/75/62/715707562.db2.gz FDERLYJHGBJQED-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972334750 715708987 /nfs/dbraw/zinc/70/89/87/715708987.db2.gz JEXMAFFVOFXVLT-BEFAXECRSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972334750 715708991 /nfs/dbraw/zinc/70/89/91/715708991.db2.gz JEXMAFFVOFXVLT-BEFAXECRSA-N 1 3 347.478 2.509 20 0 EFADHO C[N@H+](CCC1CC1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334503 715709038 /nfs/dbraw/zinc/70/90/38/715709038.db2.gz HOEJBYXHZRTWQU-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CCC1CC1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334503 715709040 /nfs/dbraw/zinc/70/90/40/715709040.db2.gz HOEJBYXHZRTWQU-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333299 715709822 /nfs/dbraw/zinc/70/98/22/715709822.db2.gz VICKPAGSTMXGMX-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333299 715709825 /nfs/dbraw/zinc/70/98/25/715709825.db2.gz VICKPAGSTMXGMX-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336012 715711282 /nfs/dbraw/zinc/71/12/82/715711282.db2.gz UCHLBFBBMRHCTF-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336012 715711285 /nfs/dbraw/zinc/71/12/85/715711285.db2.gz UCHLBFBBMRHCTF-YLJYHZDGSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336326 715712090 /nfs/dbraw/zinc/71/20/90/715712090.db2.gz WPGGMFFPZDKYRM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336326 715712093 /nfs/dbraw/zinc/71/20/93/715712093.db2.gz WPGGMFFPZDKYRM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414341 715715200 /nfs/dbraw/zinc/71/52/00/715715200.db2.gz MZERRYLRJZKJMH-ROUUACIJSA-N 1 3 347.528 2.513 20 0 EFADHO C[N@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338859 715717130 /nfs/dbraw/zinc/71/71/30/715717130.db2.gz JYWHCVDEAWUGKC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338859 715717136 /nfs/dbraw/zinc/71/71/36/715717136.db2.gz JYWHCVDEAWUGKC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972341121 715718878 /nfs/dbraw/zinc/71/88/78/715718878.db2.gz ZREFUHUMORYCNF-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972341121 715718881 /nfs/dbraw/zinc/71/88/81/715718881.db2.gz ZREFUHUMORYCNF-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)s1 ZINC000972339970 715720303 /nfs/dbraw/zinc/72/03/03/715720303.db2.gz QAZDLHJPAYZXII-KBXCAEBGSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(C)s1 ZINC000972339970 715720305 /nfs/dbraw/zinc/72/03/05/715720305.db2.gz QAZDLHJPAYZXII-KBXCAEBGSA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022808433 715729240 /nfs/dbraw/zinc/72/92/40/715729240.db2.gz VTEBMQOWQAWKIH-KSZLIROESA-N 1 3 335.536 2.922 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000972352231 715736011 /nfs/dbraw/zinc/73/60/11/715736011.db2.gz AGWYHTKKVCZQGF-SJORKVTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000972352231 715736013 /nfs/dbraw/zinc/73/60/13/715736013.db2.gz AGWYHTKKVCZQGF-SJORKVTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000972352788 715737442 /nfs/dbraw/zinc/73/74/42/715737442.db2.gz CVGYFCAJZVFKDH-PMACEKPBSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000972352788 715737445 /nfs/dbraw/zinc/73/74/45/715737445.db2.gz CVGYFCAJZVFKDH-PMACEKPBSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000972354988 715742412 /nfs/dbraw/zinc/74/24/12/715742412.db2.gz QJXSTUBEPLSAOL-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000972354988 715742414 /nfs/dbraw/zinc/74/24/14/715742414.db2.gz QJXSTUBEPLSAOL-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001027440461 715808458 /nfs/dbraw/zinc/80/84/58/715808458.db2.gz GWKCFNQHEBZUPV-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001027440461 715808462 /nfs/dbraw/zinc/80/84/62/715808462.db2.gz GWKCFNQHEBZUPV-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001027441344 715811292 /nfs/dbraw/zinc/81/12/92/715811292.db2.gz DTHKSTHVTUUVMU-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001027441344 715811294 /nfs/dbraw/zinc/81/12/94/715811294.db2.gz DTHKSTHVTUUVMU-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001027441630 715812098 /nfs/dbraw/zinc/81/20/98/715812098.db2.gz VWLSDEBXFAYGEO-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001027441630 715812101 /nfs/dbraw/zinc/81/21/01/715812101.db2.gz VWLSDEBXFAYGEO-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443183 715816341 /nfs/dbraw/zinc/81/63/41/715816341.db2.gz JMVSXRTXSTWLNS-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443183 715816344 /nfs/dbraw/zinc/81/63/44/715816344.db2.gz JMVSXRTXSTWLNS-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443392 715817484 /nfs/dbraw/zinc/81/74/84/715817484.db2.gz LMYWGNQMOLIQRE-MOPGFXCFSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443392 715817488 /nfs/dbraw/zinc/81/74/88/715817488.db2.gz LMYWGNQMOLIQRE-MOPGFXCFSA-N 1 3 347.478 2.589 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001027442365 715822468 /nfs/dbraw/zinc/82/24/68/715822468.db2.gz SQAXUKUDBAXHMO-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001027442365 715822474 /nfs/dbraw/zinc/82/24/74/715822474.db2.gz SQAXUKUDBAXHMO-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1)[NH+](C)C ZINC001027452597 715852744 /nfs/dbraw/zinc/85/27/44/715852744.db2.gz RNXSZZYLNVHJLT-SJORKVTESA-N 1 3 337.533 2.757 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027459824 715874882 /nfs/dbraw/zinc/87/48/82/715874882.db2.gz CINUDWXAQAQAEH-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027459824 715874888 /nfs/dbraw/zinc/87/48/88/715874888.db2.gz CINUDWXAQAQAEH-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027460019 715876141 /nfs/dbraw/zinc/87/61/41/715876141.db2.gz FPFHRTVMQZTXDB-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027460019 715876147 /nfs/dbraw/zinc/87/61/47/715876147.db2.gz FPFHRTVMQZTXDB-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429661 715881604 /nfs/dbraw/zinc/88/16/04/715881604.db2.gz MTNBBNRKHKGAIB-RDJZCZTQSA-N 1 3 326.444 2.555 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429661 715881611 /nfs/dbraw/zinc/88/16/11/715881611.db2.gz MTNBBNRKHKGAIB-RDJZCZTQSA-N 1 3 326.444 2.555 20 0 EFADHO C[N@H+](Cc1cccc2ccccc21)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430004 715887279 /nfs/dbraw/zinc/88/72/79/715887279.db2.gz XFRDJTDIFOQFCI-LJQANCHMSA-N 1 3 348.450 2.838 20 0 EFADHO C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430004 715887285 /nfs/dbraw/zinc/88/72/85/715887285.db2.gz XFRDJTDIFOQFCI-LJQANCHMSA-N 1 3 348.450 2.838 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C1CCC1 ZINC000985467118 724432073 /nfs/dbraw/zinc/43/20/73/724432073.db2.gz HXOHLLIQFULYEA-FGTMMUONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)C1CCC1 ZINC000985467118 724432075 /nfs/dbraw/zinc/43/20/75/724432075.db2.gz HXOHLLIQFULYEA-FGTMMUONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C1CCC1 ZINC000985467121 724432131 /nfs/dbraw/zinc/43/21/31/724432131.db2.gz HXOHLLIQFULYEA-KURKYZTESA-N 1 3 347.547 2.830 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C1CCC1 ZINC000985467121 724432132 /nfs/dbraw/zinc/43/21/32/724432132.db2.gz HXOHLLIQFULYEA-KURKYZTESA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1Cl ZINC001027216975 715921075 /nfs/dbraw/zinc/92/10/75/715921075.db2.gz CMWOOSJIKANHBZ-JKSUJKDBSA-N 1 3 349.906 2.935 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001027216559 715921194 /nfs/dbraw/zinc/92/11/94/715921194.db2.gz AUKBUECJDNXLCT-HZPDHXFCSA-N 1 3 349.906 2.935 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001027217460 715921511 /nfs/dbraw/zinc/92/15/11/715921511.db2.gz LGPZZWGIRCYMBH-FXAWDEMLSA-N 1 3 341.499 2.598 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001027217463 715921662 /nfs/dbraw/zinc/92/16/62/715921662.db2.gz LGPZZWGIRCYMBH-YLJYHZDGSA-N 1 3 341.499 2.598 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001027234403 715946380 /nfs/dbraw/zinc/94/63/80/715946380.db2.gz VWEZCULCKQEOPQ-CUYAVPTFSA-N 1 3 343.515 2.846 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001027234678 715946967 /nfs/dbraw/zinc/94/69/67/715946967.db2.gz BRABWYPCZLRVAT-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001027235740 715949430 /nfs/dbraw/zinc/94/94/30/715949430.db2.gz UMXJAMHXERBAQX-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001027235780 715949598 /nfs/dbraw/zinc/94/95/98/715949598.db2.gz VHIGGSQBPBDZNG-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001027235988 715950164 /nfs/dbraw/zinc/95/01/64/715950164.db2.gz ZNKQGGDKKXSMTL-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)C1CC1 ZINC000985467202 724437112 /nfs/dbraw/zinc/43/71/12/724437112.db2.gz IYLBBVIBTJCIFN-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)C1CC1 ZINC000985467202 724437115 /nfs/dbraw/zinc/43/71/15/724437115.db2.gz IYLBBVIBTJCIFN-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000985468006 724437350 /nfs/dbraw/zinc/43/73/50/724437350.db2.gz NOQCNSADFQVZOJ-LJQANCHMSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000985468006 724437352 /nfs/dbraw/zinc/43/73/52/724437352.db2.gz NOQCNSADFQVZOJ-LJQANCHMSA-N 1 3 347.547 2.830 20 0 EFADHO C[NH+](C)CCCCCCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000125125441 715984693 /nfs/dbraw/zinc/98/46/93/715984693.db2.gz LAEHVUFCMSYVKA-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000972486985 716036821 /nfs/dbraw/zinc/03/68/21/716036821.db2.gz YMPMEPPIOBYOAF-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972486985 716036826 /nfs/dbraw/zinc/03/68/26/716036826.db2.gz YMPMEPPIOBYOAF-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000236745068 716043821 /nfs/dbraw/zinc/04/38/21/716043821.db2.gz CCGJVUKVPHJPLQ-LJQANCHMSA-N 1 3 346.519 2.777 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029106990 722877704 /nfs/dbraw/zinc/87/77/04/722877704.db2.gz FBEVDBZLFAUADQ-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000161587027 716054594 /nfs/dbraw/zinc/05/45/94/716054594.db2.gz KMEVGHPZUHOJKT-ZDUSSCGKSA-N 1 3 338.883 2.916 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029173466 722941752 /nfs/dbraw/zinc/94/17/52/722941752.db2.gz QYNBEUKGXGOVGH-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001029001791 722620022 /nfs/dbraw/zinc/62/00/22/722620022.db2.gz CFMFWTRXIPXZQH-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001029001791 722620024 /nfs/dbraw/zinc/62/00/24/722620024.db2.gz CFMFWTRXIPXZQH-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001023024649 716093799 /nfs/dbraw/zinc/09/37/99/716093799.db2.gz DHEPOQZEECJSRD-BHYGNILZSA-N 1 3 340.471 2.875 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001023086316 716141313 /nfs/dbraw/zinc/14/13/13/716141313.db2.gz ICYMLCZISCZJIT-TUVASFSCSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001023086316 716141316 /nfs/dbraw/zinc/14/13/16/716141316.db2.gz ICYMLCZISCZJIT-TUVASFSCSA-N 1 3 335.879 2.590 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccsc3)C2)c1 ZINC001023126527 716164062 /nfs/dbraw/zinc/16/40/62/716164062.db2.gz ZZZURHZBKQIWTP-HDICACEKSA-N 1 3 343.496 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001023128667 716165220 /nfs/dbraw/zinc/16/52/20/716165220.db2.gz NZTDEJNLIGVDSB-HSALFYBXSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001023128752 716165239 /nfs/dbraw/zinc/16/52/39/716165239.db2.gz QXJJYNAHCHYKJN-OTWHNJEPSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001023128937 716165498 /nfs/dbraw/zinc/16/54/98/716165498.db2.gz ZLYAROXOCAOZBS-OAFZBRQQSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001023130613 716165898 /nfs/dbraw/zinc/16/58/98/716165898.db2.gz XAAXLPOYQVXWEB-CEXWTWQISA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001023130989 716166072 /nfs/dbraw/zinc/16/60/72/716166072.db2.gz RGIURTJCZPMNMX-JZXOWHBKSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001023131130 716166313 /nfs/dbraw/zinc/16/63/13/716166313.db2.gz WPQLRRUQJPRTHJ-CAOSSQGBSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458096 716240078 /nfs/dbraw/zinc/24/00/78/716240078.db2.gz AQRYDKVGMNJSAA-MOPGFXCFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458096 716240084 /nfs/dbraw/zinc/24/00/84/716240084.db2.gz AQRYDKVGMNJSAA-MOPGFXCFSA-N 1 3 343.515 2.663 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027652253 716337845 /nfs/dbraw/zinc/33/78/45/716337845.db2.gz PPZROECBAUIDCU-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027652253 716337848 /nfs/dbraw/zinc/33/78/48/716337848.db2.gz PPZROECBAUIDCU-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650573 716338873 /nfs/dbraw/zinc/33/88/73/716338873.db2.gz HGAFWMUXQGMJQM-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650573 716338879 /nfs/dbraw/zinc/33/88/79/716338879.db2.gz HGAFWMUXQGMJQM-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597836 716377403 /nfs/dbraw/zinc/37/74/03/716377403.db2.gz IKYNGVWRVBKBNI-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597836 716377407 /nfs/dbraw/zinc/37/74/07/716377407.db2.gz IKYNGVWRVBKBNI-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977604476 716390677 /nfs/dbraw/zinc/39/06/77/716390677.db2.gz WKIVNBWRGQEOTN-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977604476 716390684 /nfs/dbraw/zinc/39/06/84/716390684.db2.gz WKIVNBWRGQEOTN-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC000977622811 716423991 /nfs/dbraw/zinc/42/39/91/716423991.db2.gz STAIWXQLXGFABG-KRWDZBQOSA-N 1 3 335.467 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977622811 716423994 /nfs/dbraw/zinc/42/39/94/716423994.db2.gz STAIWXQLXGFABG-KRWDZBQOSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027680293 716486428 /nfs/dbraw/zinc/48/64/28/716486428.db2.gz CGOSDQUGKILAGX-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027680293 716486430 /nfs/dbraw/zinc/48/64/30/716486430.db2.gz CGOSDQUGKILAGX-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681048 716489210 /nfs/dbraw/zinc/48/92/10/716489210.db2.gz OKORZODERGUGGX-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681048 716489212 /nfs/dbraw/zinc/48/92/12/716489212.db2.gz OKORZODERGUGGX-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681049 716489259 /nfs/dbraw/zinc/48/92/59/716489259.db2.gz OKORZODERGUGGX-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681049 716489262 /nfs/dbraw/zinc/48/92/62/716489262.db2.gz OKORZODERGUGGX-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681466 716510491 /nfs/dbraw/zinc/51/04/91/716510491.db2.gz XMKDYYWSPQOKOC-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681466 716510494 /nfs/dbraw/zinc/51/04/94/716510494.db2.gz XMKDYYWSPQOKOC-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555567 716518427 /nfs/dbraw/zinc/51/84/27/716518427.db2.gz OOFGWGVKEFFKDI-KRWDZBQOSA-N 1 3 335.517 2.513 20 0 EFADHO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000893521318 716521706 /nfs/dbraw/zinc/52/17/06/716521706.db2.gz CFAPTAJDMULVGJ-ZIBCJSCZSA-N 1 3 346.515 2.928 20 0 EFADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693052 716543772 /nfs/dbraw/zinc/54/37/72/716543772.db2.gz QQXDOYGMRXEGEV-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693052 716543779 /nfs/dbraw/zinc/54/37/79/716543779.db2.gz QQXDOYGMRXEGEV-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC3)C2)c1 ZINC001027693350 716545376 /nfs/dbraw/zinc/54/53/76/716545376.db2.gz WQQJQDYQRLEZEW-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC3)C2)c1 ZINC001027693350 716545382 /nfs/dbraw/zinc/54/53/82/716545382.db2.gz WQQJQDYQRLEZEW-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000978950759 716598054 /nfs/dbraw/zinc/59/80/54/716598054.db2.gz OMDVWSCTBSPYPK-OKYOBFRVSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000978950759 716598059 /nfs/dbraw/zinc/59/80/59/716598059.db2.gz OMDVWSCTBSPYPK-OKYOBFRVSA-N 1 3 335.536 2.735 20 0 EFADHO C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577018 716701769 /nfs/dbraw/zinc/70/17/69/716701769.db2.gz CGAVOQZJIKRDMH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577018 716701772 /nfs/dbraw/zinc/70/17/72/716701772.db2.gz CGAVOQZJIKRDMH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027576192 716710548 /nfs/dbraw/zinc/71/05/48/716710548.db2.gz LVCFWZMDJYXHOL-MJGOQNOKSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027576192 716710549 /nfs/dbraw/zinc/71/05/49/716710549.db2.gz LVCFWZMDJYXHOL-MJGOQNOKSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576554 716714944 /nfs/dbraw/zinc/71/49/44/716714944.db2.gz RESQHDPEVRYBIB-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576554 716714948 /nfs/dbraw/zinc/71/49/48/716714948.db2.gz RESQHDPEVRYBIB-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001027576524 716715149 /nfs/dbraw/zinc/71/51/49/716715149.db2.gz QFZOBADQDOZFBE-SJORKVTESA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001027576524 716715152 /nfs/dbraw/zinc/71/51/52/716715152.db2.gz QFZOBADQDOZFBE-SJORKVTESA-N 1 3 349.544 2.698 20 0 EFADHO CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577513 716722199 /nfs/dbraw/zinc/72/21/99/716722199.db2.gz MPMNWBLOJREITQ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577513 716722204 /nfs/dbraw/zinc/72/22/04/716722204.db2.gz MPMNWBLOJREITQ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC000972612622 716722841 /nfs/dbraw/zinc/72/28/41/716722841.db2.gz MFGBZSIJZUEOFY-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC000972612622 716722847 /nfs/dbraw/zinc/72/28/47/716722847.db2.gz MFGBZSIJZUEOFY-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646152 716766945 /nfs/dbraw/zinc/76/69/45/716766945.db2.gz IUYXSQKVVZNUEY-PKOBYXMFSA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027582772 716771686 /nfs/dbraw/zinc/77/16/86/716771686.db2.gz OTUVHAGFBOYAMX-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027582772 716771690 /nfs/dbraw/zinc/77/16/90/716771690.db2.gz OTUVHAGFBOYAMX-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000978138064 716836109 /nfs/dbraw/zinc/83/61/09/716836109.db2.gz BDFIAEJQJJABAP-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000978138064 716836113 /nfs/dbraw/zinc/83/61/13/716836113.db2.gz BDFIAEJQJJABAP-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000978138087 716836185 /nfs/dbraw/zinc/83/61/85/716836185.db2.gz BDFIAEJQJJABAP-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000978138087 716836189 /nfs/dbraw/zinc/83/61/89/716836189.db2.gz BDFIAEJQJJABAP-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023695465 716838249 /nfs/dbraw/zinc/83/82/49/716838249.db2.gz BSFXWQBLSCFBIT-MSOLQXFVSA-N 1 3 341.515 2.829 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023695465 716838253 /nfs/dbraw/zinc/83/82/53/716838253.db2.gz BSFXWQBLSCFBIT-MSOLQXFVSA-N 1 3 341.515 2.829 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001023696510 716839476 /nfs/dbraw/zinc/83/94/76/716839476.db2.gz OLQLGLGHWSMLNW-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023696510 716839479 /nfs/dbraw/zinc/83/94/79/716839479.db2.gz OLQLGLGHWSMLNW-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978151128 716854355 /nfs/dbraw/zinc/85/43/55/716854355.db2.gz UFKRAPPLPBGVIO-OKYOBFRVSA-N 1 3 335.536 2.589 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978151128 716854357 /nfs/dbraw/zinc/85/43/57/716854357.db2.gz UFKRAPPLPBGVIO-OKYOBFRVSA-N 1 3 335.536 2.589 20 0 EFADHO C[N@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594403 716877187 /nfs/dbraw/zinc/87/71/87/716877187.db2.gz GXPNALBAKFLOPT-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCC1CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594403 716877189 /nfs/dbraw/zinc/87/71/89/716877189.db2.gz GXPNALBAKFLOPT-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594404 716877549 /nfs/dbraw/zinc/87/75/49/716877549.db2.gz GXPNALBAKFLOPT-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCC1CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594404 716877553 /nfs/dbraw/zinc/87/75/53/716877553.db2.gz GXPNALBAKFLOPT-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605459 716940544 /nfs/dbraw/zinc/94/05/44/716940544.db2.gz XYXZVXRXMLUYNN-SFHVURJKSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763321 716975141 /nfs/dbraw/zinc/97/51/41/716975141.db2.gz IRJBPMBXHJVWSD-IAGOWNOFSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763321 716975143 /nfs/dbraw/zinc/97/51/43/716975143.db2.gz IRJBPMBXHJVWSD-IAGOWNOFSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023763382 716975904 /nfs/dbraw/zinc/97/59/04/716975904.db2.gz LTQXUXPIDPPQEP-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023763382 716975905 /nfs/dbraw/zinc/97/59/05/716975905.db2.gz LTQXUXPIDPPQEP-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763505 716976272 /nfs/dbraw/zinc/97/62/72/716976272.db2.gz PPAXQOMGZVTRFF-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763505 716976278 /nfs/dbraw/zinc/97/62/78/716976278.db2.gz PPAXQOMGZVTRFF-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000382720094 717129704 /nfs/dbraw/zinc/12/97/04/717129704.db2.gz LEPCCYHEBPUJRU-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972732653 717160064 /nfs/dbraw/zinc/16/00/64/717160064.db2.gz LHDPLCMWVARMCO-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972732653 717160067 /nfs/dbraw/zinc/16/00/67/717160067.db2.gz LHDPLCMWVARMCO-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001024019134 717216813 /nfs/dbraw/zinc/21/68/13/717216813.db2.gz VKPQGRSYFGHFIK-QFBILLFUSA-N 1 3 347.547 2.735 20 0 EFADHO C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404564 717218198 /nfs/dbraw/zinc/21/81/98/717218198.db2.gz CAINAGNVOSFAMW-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404564 717218201 /nfs/dbraw/zinc/21/82/01/717218201.db2.gz CAINAGNVOSFAMW-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@H+](CCC1CCCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405104 717218712 /nfs/dbraw/zinc/21/87/12/717218712.db2.gz FIQQCFOWFCCFDU-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CCC1CCCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405104 717218717 /nfs/dbraw/zinc/21/87/17/717218717.db2.gz FIQQCFOWFCCFDU-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001024017849 717219299 /nfs/dbraw/zinc/21/92/99/717219299.db2.gz YIEIAVZLWYJICR-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001024018898 717220591 /nfs/dbraw/zinc/22/05/91/717220591.db2.gz UABDKOMQMZVTJD-YJBOKZPZSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406791 717220707 /nfs/dbraw/zinc/22/07/07/717220707.db2.gz RZUCUDIPORHDNT-ZWKOTPCHSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406791 717220712 /nfs/dbraw/zinc/22/07/12/717220712.db2.gz RZUCUDIPORHDNT-ZWKOTPCHSA-N 1 3 329.488 2.685 20 0 EFADHO C[N@H+]([C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCc2ccccc21 ZINC000980407490 717222209 /nfs/dbraw/zinc/22/22/09/717222209.db2.gz YMBTYNZTDNIFGB-ICSRJNTNSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCc2ccccc21 ZINC000980407490 717222212 /nfs/dbraw/zinc/22/22/12/717222212.db2.gz YMBTYNZTDNIFGB-ICSRJNTNSA-N 1 3 341.499 2.693 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980407496 717222363 /nfs/dbraw/zinc/22/23/63/717222363.db2.gz YMWYDWFSPLLULY-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980407496 717222368 /nfs/dbraw/zinc/22/23/68/717222368.db2.gz YMWYDWFSPLLULY-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980409062 717224973 /nfs/dbraw/zinc/22/49/73/717224973.db2.gz PVAFVOSEIIQYLJ-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980409062 717224979 /nfs/dbraw/zinc/22/49/79/717224979.db2.gz PVAFVOSEIIQYLJ-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001024019465 717228845 /nfs/dbraw/zinc/22/88/45/717228845.db2.gz ZPYIIPXXFUYSMU-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001024027296 717237173 /nfs/dbraw/zinc/23/71/73/717237173.db2.gz QPBFBSUXXTXTFE-OALUTQOASA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001024038477 717248518 /nfs/dbraw/zinc/24/85/18/717248518.db2.gz HGNMPXGLPQMYER-DOTOQJQBSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001024038286 717248692 /nfs/dbraw/zinc/24/86/92/717248692.db2.gz GZHLRNLNIZKRLT-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001024037935 717248884 /nfs/dbraw/zinc/24/88/84/717248884.db2.gz CKDHDCARMHOHQQ-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001024039557 717250153 /nfs/dbraw/zinc/25/01/53/717250153.db2.gz YQDATSAGUBQZHO-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001024039519 717250297 /nfs/dbraw/zinc/25/02/97/717250297.db2.gz XYYYMTTUVXCRDF-VQTJNVASSA-N 1 3 345.531 2.917 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475608 717315697 /nfs/dbraw/zinc/31/56/97/717315697.db2.gz HQZDXEYUWKTSNM-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475608 717315701 /nfs/dbraw/zinc/31/57/01/717315701.db2.gz HQZDXEYUWKTSNM-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000980485412 717328368 /nfs/dbraw/zinc/32/83/68/717328368.db2.gz JMODCDSSNKHETJ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000980485412 717328369 /nfs/dbraw/zinc/32/83/69/717328369.db2.gz JMODCDSSNKHETJ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486936 717330717 /nfs/dbraw/zinc/33/07/17/717330717.db2.gz YKYCIPNOONBHCF-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486936 717330718 /nfs/dbraw/zinc/33/07/18/717330718.db2.gz YKYCIPNOONBHCF-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCOC(=O)c1ncc(CNCC2CC[NH+](CC3CC3)CC2)s1 ZINC000895474899 724152169 /nfs/dbraw/zinc/15/21/69/724152169.db2.gz WNMDAQUSONKLST-UHFFFAOYSA-N 1 3 337.489 2.531 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001024139335 717397490 /nfs/dbraw/zinc/39/74/90/717397490.db2.gz GQLIXUDQHJKSIY-FUHWJXTLSA-N 1 3 337.552 2.837 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001024156062 717450516 /nfs/dbraw/zinc/45/05/16/717450516.db2.gz HSQJMZFFODQFTO-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001024156061 717450602 /nfs/dbraw/zinc/45/06/02/717450602.db2.gz HSQJMZFFODQFTO-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001024156124 717450838 /nfs/dbraw/zinc/45/08/38/717450838.db2.gz IPHYMDGDQWLASB-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001024156283 717450878 /nfs/dbraw/zinc/45/08/78/717450878.db2.gz KVTLURJWOJIZGL-MSOLQXFVSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001024156453 717450931 /nfs/dbraw/zinc/45/09/31/717450931.db2.gz NXGRFBWPWKUUFW-DOTOQJQBSA-N 1 3 349.544 2.727 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001024156787 717451321 /nfs/dbraw/zinc/45/13/21/717451321.db2.gz UDCOBIIOFVACHN-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001024161254 717456676 /nfs/dbraw/zinc/45/66/76/717456676.db2.gz JIGJIMSQZKMNMW-HKUYNNGSSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024161983 717456807 /nfs/dbraw/zinc/45/68/07/717456807.db2.gz PXASXOZZILGLBA-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001024161179 717456908 /nfs/dbraw/zinc/45/69/08/717456908.db2.gz HSBVMZYVJVURQQ-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001024162430 717457573 /nfs/dbraw/zinc/45/75/73/717457573.db2.gz UODNLBASNGBYDV-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001024162431 717457778 /nfs/dbraw/zinc/45/77/78/717457778.db2.gz UODNLBASNGBYDV-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001024162694 717458444 /nfs/dbraw/zinc/45/84/44/717458444.db2.gz XYYYMTTUVXCRDF-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024177024 717475139 /nfs/dbraw/zinc/47/51/39/717475139.db2.gz JHKWKDFHOXEWAV-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180124 717479357 /nfs/dbraw/zinc/47/93/57/717479357.db2.gz SUDQCQGGZMIXRM-GOSISDBHSA-N 1 3 340.471 2.543 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024185799 717484519 /nfs/dbraw/zinc/48/45/19/717484519.db2.gz HAISNTUJLNAQJU-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000980607311 717488334 /nfs/dbraw/zinc/48/83/34/717488334.db2.gz MZADDHRNIFVPLO-ZWKOTPCHSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CCC1 ZINC000985473708 724447803 /nfs/dbraw/zinc/44/78/03/724447803.db2.gz LJGQLUGVKFFJFC-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CCC1 ZINC000985473708 724447804 /nfs/dbraw/zinc/44/78/04/724447804.db2.gz LJGQLUGVKFFJFC-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980703823 717608844 /nfs/dbraw/zinc/60/88/44/717608844.db2.gz JIKOZYHNELYSLX-JKSUJKDBSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703946 717608991 /nfs/dbraw/zinc/60/89/91/717608991.db2.gz JNWCZGGEDKKAHY-SJLPKXTDSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC000980707603 717614814 /nfs/dbraw/zinc/61/48/14/717614814.db2.gz FBPUMBDZJSZEQT-FUHWJXTLSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000980707812 717614902 /nfs/dbraw/zinc/61/49/02/717614902.db2.gz GXQACAZBEUYRLW-DLBZAZTESA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027878947 717742919 /nfs/dbraw/zinc/74/29/19/717742919.db2.gz KSGVWVOWCMTATN-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027878947 717742925 /nfs/dbraw/zinc/74/29/25/717742925.db2.gz KSGVWVOWCMTATN-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001027879204 717744537 /nfs/dbraw/zinc/74/45/37/717744537.db2.gz PBQCOANPNQHTGN-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001027879204 717744540 /nfs/dbraw/zinc/74/45/40/717744540.db2.gz PBQCOANPNQHTGN-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980798336 717761697 /nfs/dbraw/zinc/76/16/97/717761697.db2.gz ABAQQBYFPVSSTM-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000980799511 717773984 /nfs/dbraw/zinc/77/39/84/717773984.db2.gz IIWYPJLJTHFVLJ-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980799591 717774030 /nfs/dbraw/zinc/77/40/30/717774030.db2.gz IZEBZTUFRHEKQE-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980799436 717774059 /nfs/dbraw/zinc/77/40/59/717774059.db2.gz HTSAPYIJMNXLOW-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001027985146 717787193 /nfs/dbraw/zinc/78/71/93/717787193.db2.gz CYBNTUVTNUGBLC-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001027985146 717787199 /nfs/dbraw/zinc/78/71/99/717787199.db2.gz CYBNTUVTNUGBLC-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(NC[C@H]1CCCCN1CCCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479901 717806276 /nfs/dbraw/zinc/80/62/76/717806276.db2.gz TUNHJTBSXQHMOJ-MSOLQXFVSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@H]1CCCCN1CCCF)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479901 717806281 /nfs/dbraw/zinc/80/62/81/717806281.db2.gz TUNHJTBSXQHMOJ-MSOLQXFVSA-N 1 3 339.499 2.724 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992524 717827605 /nfs/dbraw/zinc/82/76/05/717827605.db2.gz BWSDALBDFVXGAI-PKOBYXMFSA-N 1 3 341.499 2.957 20 0 EFADHO Cc1ccccc1CN1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992468 717827616 /nfs/dbraw/zinc/82/76/16/717827616.db2.gz AQROVQPODGTJLR-IBGZPJMESA-N 1 3 341.499 2.704 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001029754535 724473617 /nfs/dbraw/zinc/47/36/17/724473617.db2.gz AOJKKYWULNAJMR-PXNSSMCTSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001029754535 724473618 /nfs/dbraw/zinc/47/36/18/724473618.db2.gz AOJKKYWULNAJMR-PXNSSMCTSA-N 1 3 343.515 2.616 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001029754577 724473664 /nfs/dbraw/zinc/47/36/64/724473664.db2.gz BCUCNKRMIJGCGO-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001029754577 724473666 /nfs/dbraw/zinc/47/36/66/724473666.db2.gz BCUCNKRMIJGCGO-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001029754862 724473887 /nfs/dbraw/zinc/47/38/87/724473887.db2.gz DVWPJXTYCYEJFQ-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001029754862 724473889 /nfs/dbraw/zinc/47/38/89/724473889.db2.gz DVWPJXTYCYEJFQ-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001029754789 724473913 /nfs/dbraw/zinc/47/39/13/724473913.db2.gz DAIHHLRFXSSTFL-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001029754789 724473916 /nfs/dbraw/zinc/47/39/16/724473916.db2.gz DAIHHLRFXSSTFL-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3F)C2)CCC1 ZINC001029754924 724474704 /nfs/dbraw/zinc/47/47/04/724474704.db2.gz FRAANXCCGBLPCD-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3F)C2)CCC1 ZINC001029754924 724474706 /nfs/dbraw/zinc/47/47/06/724474706.db2.gz FRAANXCCGBLPCD-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024522418 717869576 /nfs/dbraw/zinc/86/95/76/717869576.db2.gz FVZPNXDMPMPISZ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024522418 717869578 /nfs/dbraw/zinc/86/95/78/717869578.db2.gz FVZPNXDMPMPISZ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756523 724476362 /nfs/dbraw/zinc/47/63/62/724476362.db2.gz XEXGMRJXAWURBT-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756523 724476364 /nfs/dbraw/zinc/47/63/64/724476364.db2.gz XEXGMRJXAWURBT-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904281 724477693 /nfs/dbraw/zinc/47/76/93/724477693.db2.gz RVCOHRAPBFKBRL-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904281 724477696 /nfs/dbraw/zinc/47/76/96/724477696.db2.gz RVCOHRAPBFKBRL-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001029905747 724478010 /nfs/dbraw/zinc/47/80/10/724478010.db2.gz UJGOWUMRNKOYIQ-CTWPCTMYSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001029905747 724478012 /nfs/dbraw/zinc/47/80/12/724478012.db2.gz UJGOWUMRNKOYIQ-CTWPCTMYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029761227 724481914 /nfs/dbraw/zinc/48/19/14/724481914.db2.gz NXQKIWKXELNGRS-HKUYNNGSSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029761227 724481917 /nfs/dbraw/zinc/48/19/17/724481917.db2.gz NXQKIWKXELNGRS-HKUYNNGSSA-N 1 3 349.494 2.692 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001029761539 724482240 /nfs/dbraw/zinc/48/22/40/724482240.db2.gz UKEGFVUBIYJOOP-PMACEKPBSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001029761539 724482243 /nfs/dbraw/zinc/48/22/43/724482243.db2.gz UKEGFVUBIYJOOP-PMACEKPBSA-N 1 3 345.531 2.862 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029761026 724483795 /nfs/dbraw/zinc/48/37/95/724483795.db2.gz JWIJMTOPLZZQIO-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029761026 724483800 /nfs/dbraw/zinc/48/38/00/724483800.db2.gz JWIJMTOPLZZQIO-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024752298 718138006 /nfs/dbraw/zinc/13/80/06/718138006.db2.gz QVAFNXKWLVPIFI-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024752298 718138008 /nfs/dbraw/zinc/13/80/08/718138008.db2.gz QVAFNXKWLVPIFI-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001024759170 718142912 /nfs/dbraw/zinc/14/29/12/718142912.db2.gz FMDUUNUOXSNXSU-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981143156 718151825 /nfs/dbraw/zinc/15/18/25/718151825.db2.gz DEERFWFUNMMYTP-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981143156 718151826 /nfs/dbraw/zinc/15/18/26/718151826.db2.gz DEERFWFUNMMYTP-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981143313 718152617 /nfs/dbraw/zinc/15/26/17/718152617.db2.gz JQLFLUYUGRSILL-GOSISDBHSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981143313 718152618 /nfs/dbraw/zinc/15/26/18/718152618.db2.gz JQLFLUYUGRSILL-GOSISDBHSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981149831 718156104 /nfs/dbraw/zinc/15/61/04/718156104.db2.gz UJQUBTDZJJVKEM-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981149831 718156105 /nfs/dbraw/zinc/15/61/05/718156105.db2.gz UJQUBTDZJJVKEM-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169500 718163482 /nfs/dbraw/zinc/16/34/82/718163482.db2.gz ZQZXNIPRZQBOKQ-YLJYHZDGSA-N 1 3 341.499 2.624 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800728 718167699 /nfs/dbraw/zinc/16/76/99/718167699.db2.gz HPSZKPNUOASMMS-QZTJIDSGSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800728 718167702 /nfs/dbraw/zinc/16/77/02/718167702.db2.gz HPSZKPNUOASMMS-QZTJIDSGSA-N 1 3 349.544 2.603 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001029767661 724486264 /nfs/dbraw/zinc/48/62/64/724486264.db2.gz XKVVFDCVVRPPBZ-VQTJNVASSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001029767661 724486267 /nfs/dbraw/zinc/48/62/67/724486267.db2.gz XKVVFDCVVRPPBZ-VQTJNVASSA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CC2CCCC2)CC1)N1CCCCC1 ZINC000981164595 718168827 /nfs/dbraw/zinc/16/88/27/718168827.db2.gz CVDVBVFAOBQBPT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)N1CCCCC1 ZINC000981164595 718168829 /nfs/dbraw/zinc/16/88/29/718168829.db2.gz CVDVBVFAOBQBPT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001024902170 718213732 /nfs/dbraw/zinc/21/37/32/718213732.db2.gz JTLMGKBAUCVERT-SJORKVTESA-N 1 3 335.517 2.621 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001024985178 718248437 /nfs/dbraw/zinc/24/84/37/718248437.db2.gz LXNMGXXYMVSSPT-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001024983855 718248724 /nfs/dbraw/zinc/24/87/24/718248724.db2.gz CMDCQPQXBBGHIA-SFHVURJKSA-N 1 3 329.488 2.642 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCCC[C@@H]1CNCc1ccccc1F)C1CC1 ZINC001024983821 718248805 /nfs/dbraw/zinc/24/88/05/718248805.db2.gz BUSAICVIGMNMLG-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001024985631 718249746 /nfs/dbraw/zinc/24/97/46/718249746.db2.gz RFPLSOGLPDXIJJ-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1CNCc1ccccc1F)[NH+](C)C ZINC001024992218 718251244 /nfs/dbraw/zinc/25/12/44/718251244.db2.gz POGCBSIKVIHTBU-HKUYNNGSSA-N 1 3 349.494 2.883 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001029770146 724495124 /nfs/dbraw/zinc/49/51/24/724495124.db2.gz UERYMYMTVJBLDJ-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001029770146 724495126 /nfs/dbraw/zinc/49/51/26/724495126.db2.gz UERYMYMTVJBLDJ-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO COc1ccc2nccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000892601606 718327007 /nfs/dbraw/zinc/32/70/07/718327007.db2.gz YLBJTHHVMLKDBC-HNNXBMFYSA-N 1 3 341.455 2.578 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNCc2ccccc2F)CC1 ZINC001025065178 718335148 /nfs/dbraw/zinc/33/51/48/718335148.db2.gz KHBSEUPMEKOMEJ-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001025084580 718350261 /nfs/dbraw/zinc/35/02/61/718350261.db2.gz DZNQZDGRHDDSCM-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001025085990 718350930 /nfs/dbraw/zinc/35/09/30/718350930.db2.gz YVXBCIZOMGYWFB-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001025085146 718351121 /nfs/dbraw/zinc/35/11/21/718351121.db2.gz NJPJXLJMJRIXLH-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001025085296 718351159 /nfs/dbraw/zinc/35/11/59/718351159.db2.gz OBWZIJIHTPYMBV-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001025098313 718357707 /nfs/dbraw/zinc/35/77/07/718357707.db2.gz NSVROGHJZMCRGX-CRAIPNDOSA-N 1 3 326.444 2.684 20 0 EFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000311036886 718376203 /nfs/dbraw/zinc/37/62/03/718376203.db2.gz OJIJZKSGQWFMIT-RLLQIKCJSA-N 1 3 343.515 2.936 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000981196365 718483645 /nfs/dbraw/zinc/48/36/45/718483645.db2.gz ABQZHOFDVZKDAJ-QWFCFKBJSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000981196365 718483648 /nfs/dbraw/zinc/48/36/48/718483648.db2.gz ABQZHOFDVZKDAJ-QWFCFKBJSA-N 1 3 343.515 2.931 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196591 718483803 /nfs/dbraw/zinc/48/38/03/718483803.db2.gz MLVLYASPFFKQRG-ZHALLVOQSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196591 718483805 /nfs/dbraw/zinc/48/38/05/718483805.db2.gz MLVLYASPFFKQRG-ZHALLVOQSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289935 718530369 /nfs/dbraw/zinc/53/03/69/718530369.db2.gz VODZRGHYKCFGOK-IAGOWNOFSA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289935 718530371 /nfs/dbraw/zinc/53/03/71/718530371.db2.gz VODZRGHYKCFGOK-IAGOWNOFSA-N 1 3 344.503 2.943 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332382 718634122 /nfs/dbraw/zinc/63/41/22/718634122.db2.gz WETODLKYDCBXGP-AEFFLSMTSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332382 718634124 /nfs/dbraw/zinc/63/41/24/718634124.db2.gz WETODLKYDCBXGP-AEFFLSMTSA-N 1 3 339.499 2.676 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332768 718634565 /nfs/dbraw/zinc/63/45/65/718634565.db2.gz FODHJQHIGKCYQB-PXNSSMCTSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332768 718634566 /nfs/dbraw/zinc/63/45/66/718634566.db2.gz FODHJQHIGKCYQB-PXNSSMCTSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1)N(C)C ZINC000981387239 718673662 /nfs/dbraw/zinc/67/36/62/718673662.db2.gz GQOYXKKHHGWNKR-ACBHZAAOSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1)N(C)C ZINC000981387239 718673663 /nfs/dbraw/zinc/67/36/63/718673663.db2.gz GQOYXKKHHGWNKR-ACBHZAAOSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981391689 718679834 /nfs/dbraw/zinc/67/98/34/718679834.db2.gz TYFSOSVUMORPDC-HOTGVXAUSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981391689 718679838 /nfs/dbraw/zinc/67/98/38/718679838.db2.gz TYFSOSVUMORPDC-HOTGVXAUSA-N 1 3 345.478 2.542 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000981484904 718753485 /nfs/dbraw/zinc/75/34/85/718753485.db2.gz CXCOUBLQUCLFAZ-CVEARBPZSA-N 1 3 346.500 2.848 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000981486207 718754654 /nfs/dbraw/zinc/75/46/54/718754654.db2.gz MPRRETQEQRZFEL-GJZGRUSLSA-N 1 3 346.500 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000981489030 718757339 /nfs/dbraw/zinc/75/73/39/718757339.db2.gz YJTBAUIPSHIAGS-HZPDHXFCSA-N 1 3 332.492 2.714 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038327123 718764792 /nfs/dbraw/zinc/76/47/92/718764792.db2.gz IBTASQNNVUZARB-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038327123 718764794 /nfs/dbraw/zinc/76/47/94/718764794.db2.gz IBTASQNNVUZARB-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCN(CCC2CC2)CC1 ZINC000981509736 718770812 /nfs/dbraw/zinc/77/08/12/718770812.db2.gz BDAJUNUKJNTYKA-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCN(CCC2CC2)CC1 ZINC000981509736 718770814 /nfs/dbraw/zinc/77/08/14/718770814.db2.gz BDAJUNUKJNTYKA-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000327940371 718917376 /nfs/dbraw/zinc/91/73/76/718917376.db2.gz IFFXYLBALGJZKV-UHFFFAOYSA-N 1 3 339.439 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CC2CCCC2)C3)CCC1 ZINC000981810642 719071208 /nfs/dbraw/zinc/07/12/08/719071208.db2.gz WGXZVHOIVODWBW-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CC2CCCC2)C3)CCC1 ZINC000981810642 719071212 /nfs/dbraw/zinc/07/12/12/719071212.db2.gz WGXZVHOIVODWBW-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2)[NH+](C)C ZINC000981826043 719087287 /nfs/dbraw/zinc/08/72/87/719087287.db2.gz YQYPBPSLRZOZET-KRWDZBQOSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC000981827838 719088060 /nfs/dbraw/zinc/08/80/60/719088060.db2.gz NKEFWDJAILYEQR-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC000981827838 719088062 /nfs/dbraw/zinc/08/80/62/719088062.db2.gz NKEFWDJAILYEQR-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC000981841452 719110531 /nfs/dbraw/zinc/11/05/31/719110531.db2.gz CRXJDOAHXXLORA-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC000981841452 719110533 /nfs/dbraw/zinc/11/05/33/719110533.db2.gz CRXJDOAHXXLORA-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001025626811 719249770 /nfs/dbraw/zinc/24/97/70/719249770.db2.gz FZHOKFNMZYCROD-APWZRJJASA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001025626811 719249772 /nfs/dbraw/zinc/24/97/72/719249772.db2.gz FZHOKFNMZYCROD-APWZRJJASA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001025626812 719249869 /nfs/dbraw/zinc/24/98/69/719249869.db2.gz FZHOKFNMZYCROD-LPHOPBHVSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001025626812 719249870 /nfs/dbraw/zinc/24/98/70/719249870.db2.gz FZHOKFNMZYCROD-LPHOPBHVSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628681 719251547 /nfs/dbraw/zinc/25/15/47/719251547.db2.gz TXXHEUQGNPSJIH-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628681 719251548 /nfs/dbraw/zinc/25/15/48/719251548.db2.gz TXXHEUQGNPSJIH-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025779055 719313164 /nfs/dbraw/zinc/31/31/64/719313164.db2.gz WNKFKUCPXTZRQI-LPLOCXIKSA-N 1 3 347.547 2.732 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025779055 719313166 /nfs/dbraw/zinc/31/31/66/719313166.db2.gz WNKFKUCPXTZRQI-LPLOCXIKSA-N 1 3 347.547 2.732 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001019774807 719383093 /nfs/dbraw/zinc/38/30/93/719383093.db2.gz JEJDQGWMADPRBR-FUHWJXTLSA-N 1 3 347.890 2.614 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccsc2)C1)[NH+]1CCCCC1 ZINC001019823929 719392456 /nfs/dbraw/zinc/39/24/56/719392456.db2.gz ZUTRVACPISHAPF-ROUUACIJSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC000981991733 719403520 /nfs/dbraw/zinc/40/35/20/719403520.db2.gz NKEFWDJAILYEQR-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC000981991733 719403524 /nfs/dbraw/zinc/40/35/24/719403524.db2.gz NKEFWDJAILYEQR-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2 ZINC000982011652 719434805 /nfs/dbraw/zinc/43/48/05/719434805.db2.gz HNPKZRGYIPJTLR-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2 ZINC000982011652 719434808 /nfs/dbraw/zinc/43/48/08/719434808.db2.gz HNPKZRGYIPJTLR-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013317 719438999 /nfs/dbraw/zinc/43/89/99/719438999.db2.gz QGHGEEXDXSWPHL-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013317 719439002 /nfs/dbraw/zinc/43/90/02/719439002.db2.gz QGHGEEXDXSWPHL-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2=CCCCC2)C3)C1 ZINC000982013571 719439076 /nfs/dbraw/zinc/43/90/76/719439076.db2.gz VXOLWRWEIVOZAA-SFHVURJKSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2=CCCCC2)C3)C1 ZINC000982013571 719439079 /nfs/dbraw/zinc/43/90/79/719439079.db2.gz VXOLWRWEIVOZAA-SFHVURJKSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982013280 719439243 /nfs/dbraw/zinc/43/92/43/719439243.db2.gz PPFMNGFCUKTOHC-MRXNPFEDSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982013280 719439247 /nfs/dbraw/zinc/43/92/47/719439247.db2.gz PPFMNGFCUKTOHC-MRXNPFEDSA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)N(C)C ZINC000982018324 719444628 /nfs/dbraw/zinc/44/46/28/719444628.db2.gz CRXJDOAHXXLORA-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)N(C)C ZINC000982018324 719444631 /nfs/dbraw/zinc/44/46/31/719444631.db2.gz CRXJDOAHXXLORA-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001020144324 719456163 /nfs/dbraw/zinc/45/61/63/719456163.db2.gz YYPXMYIEDVQKSM-GUDVDZBRSA-N 1 3 333.520 2.987 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC001020151358 719458693 /nfs/dbraw/zinc/45/86/93/719458693.db2.gz UVUGLOFCFKZRJL-IYARVYRRSA-N 1 3 329.488 2.688 20 0 EFADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052148 719506385 /nfs/dbraw/zinc/50/63/85/719506385.db2.gz AAGOBTSSRPTEEW-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052148 719506386 /nfs/dbraw/zinc/50/63/86/719506386.db2.gz AAGOBTSSRPTEEW-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000925835558 719544326 /nfs/dbraw/zinc/54/43/26/719544326.db2.gz RCLSCCZLZJYBOV-LVQVYYBASA-N 1 3 333.442 2.914 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000982163532 719608018 /nfs/dbraw/zinc/60/80/18/719608018.db2.gz FFXOYUBHIKYPAV-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC000982163532 719608020 /nfs/dbraw/zinc/60/80/20/719608020.db2.gz FFXOYUBHIKYPAV-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982163619 719608752 /nfs/dbraw/zinc/60/87/52/719608752.db2.gz KINZDUOMPSPYJZ-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982163619 719608755 /nfs/dbraw/zinc/60/87/55/719608755.db2.gz KINZDUOMPSPYJZ-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040888 719665987 /nfs/dbraw/zinc/66/59/87/719665987.db2.gz SZARJHFUOXQASH-OVIIUWAXSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040888 719665991 /nfs/dbraw/zinc/66/59/91/719665991.db2.gz SZARJHFUOXQASH-OVIIUWAXSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)c1 ZINC001026043337 719672857 /nfs/dbraw/zinc/67/28/57/719672857.db2.gz LEBQOWBMEKMXLK-DKCCPGLUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)c1 ZINC001026043337 719672859 /nfs/dbraw/zinc/67/28/59/719672859.db2.gz LEBQOWBMEKMXLK-DKCCPGLUSA-N 1 3 341.499 2.587 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001026138929 719786972 /nfs/dbraw/zinc/78/69/72/719786972.db2.gz DGRHPTCXVIULLU-LPLOCXIKSA-N 1 3 347.547 2.734 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001026138929 719786974 /nfs/dbraw/zinc/78/69/74/719786974.db2.gz DGRHPTCXVIULLU-LPLOCXIKSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148908 719803162 /nfs/dbraw/zinc/80/31/62/719803162.db2.gz DNYOFXHRMJYASU-OVIIUWAXSA-N 1 3 345.531 2.796 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148908 719803173 /nfs/dbraw/zinc/80/31/73/719803173.db2.gz DNYOFXHRMJYASU-OVIIUWAXSA-N 1 3 345.531 2.796 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982292516 719822539 /nfs/dbraw/zinc/82/25/39/719822539.db2.gz MUPPOGHWSKDXIG-SESVDKBCSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982292516 719822546 /nfs/dbraw/zinc/82/25/46/719822546.db2.gz MUPPOGHWSKDXIG-SESVDKBCSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295923 719837883 /nfs/dbraw/zinc/83/78/83/719837883.db2.gz GEEJEFXVEGMIOQ-YTQUADARSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982295923 719837891 /nfs/dbraw/zinc/83/78/91/719837891.db2.gz GEEJEFXVEGMIOQ-YTQUADARSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000982296179 719838581 /nfs/dbraw/zinc/83/85/81/719838581.db2.gz MHEFTPPBYQQKHP-SESVDKBCSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000982296179 719838587 /nfs/dbraw/zinc/83/85/87/719838587.db2.gz MHEFTPPBYQQKHP-SESVDKBCSA-N 1 3 347.547 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306228 719873105 /nfs/dbraw/zinc/87/31/05/719873105.db2.gz OJNXKHBNCHUEKR-RLLQIKCJSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982306228 719873111 /nfs/dbraw/zinc/87/31/11/719873111.db2.gz OJNXKHBNCHUEKR-RLLQIKCJSA-N 1 3 337.552 2.933 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001028251746 719877001 /nfs/dbraw/zinc/87/70/01/719877001.db2.gz KZHWVOMBCPUENJ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001028251746 719877005 /nfs/dbraw/zinc/87/70/05/719877005.db2.gz KZHWVOMBCPUENJ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253928 719887214 /nfs/dbraw/zinc/88/72/14/719887214.db2.gz JNMNXOXZZABKJB-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H](CNC[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000235464972 719910620 /nfs/dbraw/zinc/91/06/20/719910620.db2.gz UDHIFONMIKXBBE-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000180206464 719911962 /nfs/dbraw/zinc/91/19/62/719911962.db2.gz ISAZDAHOJABHHH-GVDBMIGSSA-N 1 3 339.524 2.953 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001028267712 719945040 /nfs/dbraw/zinc/94/50/40/719945040.db2.gz LSYUTOMBAWZOCA-QGZVFWFLSA-N 1 3 347.528 2.541 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCn1cc(Br)cn1 ZINC000261665386 719949820 /nfs/dbraw/zinc/94/98/20/719949820.db2.gz ZNVOKJSPRWQUIH-JSGCOSHPSA-N 1 3 329.286 2.546 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428170 720044303 /nfs/dbraw/zinc/04/43/03/720044303.db2.gz FMQKUVAOQKIBIM-OYRHEFFESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428170 720044306 /nfs/dbraw/zinc/04/43/06/720044306.db2.gz FMQKUVAOQKIBIM-OYRHEFFESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001026268044 720080163 /nfs/dbraw/zinc/08/01/63/720080163.db2.gz VCXXPXTZQAPSLK-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355963 724650034 /nfs/dbraw/zinc/65/00/34/724650034.db2.gz NLRGMSJAXDJCPO-QAPCUYQASA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986356033 724650054 /nfs/dbraw/zinc/65/00/54/724650054.db2.gz NYMFEPMXSPPQLD-HNAYVOBHSA-N 1 3 347.478 2.697 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@H]2C1)C1CCC1 ZINC001026285028 720138369 /nfs/dbraw/zinc/13/83/69/720138369.db2.gz XALFTZKRENTWDB-WDSOQIARSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358588 724651672 /nfs/dbraw/zinc/65/16/72/724651672.db2.gz ZRZPKWRVVXUQMP-LPHOPBHVSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357051 724650582 /nfs/dbraw/zinc/65/05/82/724650582.db2.gz PQSPCRKZMPKFAU-YLJYHZDGSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cs1 ZINC000986351605 724659595 /nfs/dbraw/zinc/65/95/95/724659595.db2.gz DHBFFSFMJNQXGO-WMLDXEAASA-N 1 3 335.517 2.620 20 0 EFADHO C[N@H+]1C[C@H]2CN(C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000894084357 720264626 /nfs/dbraw/zinc/26/46/26/720264626.db2.gz SLWZCUUKKWKZCS-JTDSTZFVSA-N 1 3 337.508 2.517 20 0 EFADHO C[N@@H+]1C[C@H]2CN(C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000894084357 720264629 /nfs/dbraw/zinc/26/46/29/720264629.db2.gz SLWZCUUKKWKZCS-JTDSTZFVSA-N 1 3 337.508 2.517 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894075915 720269608 /nfs/dbraw/zinc/26/96/08/720269608.db2.gz JOXYPSNGHCWQDS-JITJTBAFSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894075915 720269613 /nfs/dbraw/zinc/26/96/13/720269613.db2.gz JOXYPSNGHCWQDS-JITJTBAFSA-N 1 3 331.479 2.797 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1)[NH+](C)C ZINC001029828914 724665010 /nfs/dbraw/zinc/66/50/10/724665010.db2.gz OELPMQKZKMIFCI-VQIMIIECSA-N 1 3 349.494 2.692 20 0 EFADHO Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000184011762 720305972 /nfs/dbraw/zinc/30/59/72/720305972.db2.gz HYSJMQHXAZNGKG-HLAWJBBLSA-N 1 3 338.499 2.853 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCC(F)(F)F ZINC000947774590 720330832 /nfs/dbraw/zinc/33/08/32/720330832.db2.gz BXCFSCWRWAMJPW-DZGCQCFKSA-N 1 3 349.441 2.640 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316429 720346025 /nfs/dbraw/zinc/34/60/25/720346025.db2.gz POAPINZXSBXSEB-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316429 720346029 /nfs/dbraw/zinc/34/60/29/720346029.db2.gz POAPINZXSBXSEB-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729854 720356903 /nfs/dbraw/zinc/35/69/03/720356903.db2.gz YPQGRHDNAWWFFU-OALUTQOASA-N 1 3 333.439 2.822 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333101 720373555 /nfs/dbraw/zinc/37/35/55/720373555.db2.gz DMFKWOHNBYINRE-SFHVURJKSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333101 720373557 /nfs/dbraw/zinc/37/35/57/720373557.db2.gz DMFKWOHNBYINRE-SFHVURJKSA-N 1 3 329.488 2.909 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCC4)[C@H]3C2)C1 ZINC001026362093 720390066 /nfs/dbraw/zinc/39/00/66/720390066.db2.gz VCMNMSZKSBCEPU-FHWLQOOXSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001026425051 720554949 /nfs/dbraw/zinc/55/49/49/720554949.db2.gz BCNVYZYTYGXVNQ-SLFFLAALSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839695 724687995 /nfs/dbraw/zinc/68/79/95/724687995.db2.gz GUEVSGMNIWGVEB-IEBWSBKVSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839695 724687998 /nfs/dbraw/zinc/68/79/98/724687998.db2.gz GUEVSGMNIWGVEB-IEBWSBKVSA-N 1 3 333.520 2.609 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001029841454 724691047 /nfs/dbraw/zinc/69/10/47/724691047.db2.gz IFLLHUXBCWMTNH-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001029841454 724691048 /nfs/dbraw/zinc/69/10/48/724691048.db2.gz IFLLHUXBCWMTNH-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029841589 724691666 /nfs/dbraw/zinc/69/16/66/724691666.db2.gz KLYHVIYOUAOZAO-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029841589 724691668 /nfs/dbraw/zinc/69/16/68/724691668.db2.gz KLYHVIYOUAOZAO-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029841594 724691698 /nfs/dbraw/zinc/69/16/98/724691698.db2.gz KLYHVIYOUAOZAO-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029841594 724691699 /nfs/dbraw/zinc/69/16/99/724691699.db2.gz KLYHVIYOUAOZAO-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841231 724692063 /nfs/dbraw/zinc/69/20/63/724692063.db2.gz HDTAGWQUYGFTKP-LJQANCHMSA-N 1 3 347.547 2.999 20 0 EFADHO C[N@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841231 724692066 /nfs/dbraw/zinc/69/20/66/724692066.db2.gz HDTAGWQUYGFTKP-LJQANCHMSA-N 1 3 347.547 2.999 20 0 EFADHO C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841230 724692162 /nfs/dbraw/zinc/69/21/62/724692162.db2.gz HDTAGWQUYGFTKP-IBGZPJMESA-N 1 3 347.547 2.999 20 0 EFADHO C[N@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841230 724692165 /nfs/dbraw/zinc/69/21/65/724692165.db2.gz HDTAGWQUYGFTKP-IBGZPJMESA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001029841278 724692240 /nfs/dbraw/zinc/69/22/40/724692240.db2.gz HWZJWWYNGMWGAC-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001029841278 724692241 /nfs/dbraw/zinc/69/22/41/724692241.db2.gz HWZJWWYNGMWGAC-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841197 724692281 /nfs/dbraw/zinc/69/22/81/724692281.db2.gz GIHMTRMCKPSRQV-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841197 724692282 /nfs/dbraw/zinc/69/22/82/724692282.db2.gz GIHMTRMCKPSRQV-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841726 724693052 /nfs/dbraw/zinc/69/30/52/724693052.db2.gz LHGQFFSZUFRPFU-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841726 724693056 /nfs/dbraw/zinc/69/30/56/724693056.db2.gz LHGQFFSZUFRPFU-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000236980160 720683057 /nfs/dbraw/zinc/68/30/57/720683057.db2.gz DMDYIKGZDLERQT-DBVUQKKJSA-N 1 3 345.531 2.994 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520220 720703066 /nfs/dbraw/zinc/70/30/66/720703066.db2.gz NSTFECSEJRTVLE-KVPLUYHFSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520220 720703068 /nfs/dbraw/zinc/70/30/68/720703068.db2.gz NSTFECSEJRTVLE-KVPLUYHFSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520903 720703526 /nfs/dbraw/zinc/70/35/26/720703526.db2.gz YROFZLRZTRVITO-RLLQIKCJSA-N 1 3 335.536 2.709 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982520903 720703529 /nfs/dbraw/zinc/70/35/29/720703529.db2.gz YROFZLRZTRVITO-RLLQIKCJSA-N 1 3 335.536 2.709 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029843346 724702664 /nfs/dbraw/zinc/70/26/64/724702664.db2.gz IHBLNCCUDVJOMN-HKUYNNGSSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029843346 724702665 /nfs/dbraw/zinc/70/26/65/724702665.db2.gz IHBLNCCUDVJOMN-HKUYNNGSSA-N 1 3 349.494 2.755 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001026561117 720748739 /nfs/dbraw/zinc/74/87/39/720748739.db2.gz OXJXBKQTXGVXBD-IPJUCJBFSA-N 1 3 347.547 2.926 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029843630 724704020 /nfs/dbraw/zinc/70/40/20/724704020.db2.gz LJWPYBMOGNGCPV-MOPGFXCFSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029843630 724704023 /nfs/dbraw/zinc/70/40/23/724704023.db2.gz LJWPYBMOGNGCPV-MOPGFXCFSA-N 1 3 331.504 2.616 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552823 720819823 /nfs/dbraw/zinc/81/98/23/720819823.db2.gz DQZHPAILRVVDHD-RLLQIKCJSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552823 720819828 /nfs/dbraw/zinc/81/98/28/720819828.db2.gz DQZHPAILRVVDHD-RLLQIKCJSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CCC(C)(C)C)C[C@]3(C)C2)C1 ZINC000982555601 720825389 /nfs/dbraw/zinc/82/53/89/720825389.db2.gz BUHQBTMGNIRKGB-DZFGPLHGSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CCC(C)(C)C)C[C@]3(C)C2)C1 ZINC000982555601 720825394 /nfs/dbraw/zinc/82/53/94/720825394.db2.gz BUHQBTMGNIRKGB-DZFGPLHGSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028536400 720984916 /nfs/dbraw/zinc/98/49/16/720984916.db2.gz BJRFEOJEALURNX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028536400 720984920 /nfs/dbraw/zinc/98/49/20/720984920.db2.gz BJRFEOJEALURNX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536615 720985955 /nfs/dbraw/zinc/98/59/55/720985955.db2.gz CDIBDFBMPMCDNQ-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536615 720985957 /nfs/dbraw/zinc/98/59/57/720985957.db2.gz CDIBDFBMPMCDNQ-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028537921 720988063 /nfs/dbraw/zinc/98/80/63/720988063.db2.gz VLAGAIIETGMAQQ-MJGOQNOKSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028537921 720988065 /nfs/dbraw/zinc/98/80/65/720988065.db2.gz VLAGAIIETGMAQQ-MJGOQNOKSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537728 720988079 /nfs/dbraw/zinc/98/80/79/720988079.db2.gz QZVIKUXQSUQQNU-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537728 720988080 /nfs/dbraw/zinc/98/80/80/720988080.db2.gz QZVIKUXQSUQQNU-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537885 720988265 /nfs/dbraw/zinc/98/82/65/720988265.db2.gz UPFWZZIXVNUTRR-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537885 720988266 /nfs/dbraw/zinc/98/82/66/720988266.db2.gz UPFWZZIXVNUTRR-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001028537939 720988273 /nfs/dbraw/zinc/98/82/73/720988273.db2.gz VQPIVVLXHLVTNS-SJLPKXTDSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001028537939 720988274 /nfs/dbraw/zinc/98/82/74/720988274.db2.gz VQPIVVLXHLVTNS-SJLPKXTDSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028550096 720991996 /nfs/dbraw/zinc/99/19/96/720991996.db2.gz GNSQXAWLNFMFRO-QGPMSJSTSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028550096 720991999 /nfs/dbraw/zinc/99/19/99/720991999.db2.gz GNSQXAWLNFMFRO-QGPMSJSTSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001026727435 720992563 /nfs/dbraw/zinc/99/25/63/720992563.db2.gz OCSQXDJJFVGLFG-ICSRJNTNSA-N 1 3 343.515 2.644 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1 ZINC001029947239 724729494 /nfs/dbraw/zinc/72/94/94/724729494.db2.gz LRTHKNVXCJOCQS-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1 ZINC001029947239 724729497 /nfs/dbraw/zinc/72/94/97/724729497.db2.gz LRTHKNVXCJOCQS-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029947286 724729589 /nfs/dbraw/zinc/72/95/89/724729589.db2.gz NCMAFCJAKRRVDH-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029947286 724729592 /nfs/dbraw/zinc/72/95/92/724729592.db2.gz NCMAFCJAKRRVDH-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028579194 721092268 /nfs/dbraw/zinc/09/22/68/721092268.db2.gz BLACXCPPCMYKKQ-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028579194 721092271 /nfs/dbraw/zinc/09/22/71/721092271.db2.gz BLACXCPPCMYKKQ-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028579526 721099731 /nfs/dbraw/zinc/09/97/31/721099731.db2.gz GMKFEDLLCXNOEL-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028579526 721099738 /nfs/dbraw/zinc/09/97/38/721099738.db2.gz GMKFEDLLCXNOEL-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028579807 721101795 /nfs/dbraw/zinc/10/17/95/721101795.db2.gz JGKFNEIWYDPCFT-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028579807 721101798 /nfs/dbraw/zinc/10/17/98/721101798.db2.gz JGKFNEIWYDPCFT-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028579925 721102224 /nfs/dbraw/zinc/10/22/24/721102224.db2.gz LTRMQCFIMHEPCM-MOPGFXCFSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028579925 721102227 /nfs/dbraw/zinc/10/22/27/721102227.db2.gz LTRMQCFIMHEPCM-MOPGFXCFSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028580399 721110278 /nfs/dbraw/zinc/11/02/78/721110278.db2.gz VUVYPIVXRPESJG-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028580399 721110281 /nfs/dbraw/zinc/11/02/81/721110281.db2.gz VUVYPIVXRPESJG-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028580400 721110364 /nfs/dbraw/zinc/11/03/64/721110364.db2.gz VUVYPIVXRPESJG-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028580400 721110369 /nfs/dbraw/zinc/11/03/69/721110369.db2.gz VUVYPIVXRPESJG-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028580388 721110511 /nfs/dbraw/zinc/11/05/11/721110511.db2.gz VQNDHRIRIIZCPT-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028580388 721110514 /nfs/dbraw/zinc/11/05/14/721110514.db2.gz VQNDHRIRIIZCPT-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000893375779 721130512 /nfs/dbraw/zinc/13/05/12/721130512.db2.gz QMDSSUJUBJJKDT-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000893375779 721130514 /nfs/dbraw/zinc/13/05/14/721130514.db2.gz QMDSSUJUBJJKDT-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[NH+]1CCC(CN[C@@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000894175243 721164457 /nfs/dbraw/zinc/16/44/57/721164457.db2.gz ZOEOPHVZSZGCAN-AWEZNQCLSA-N 1 3 332.366 2.550 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652764 721242680 /nfs/dbraw/zinc/24/26/80/721242680.db2.gz QRNHQRDKVYBOOW-QZTJIDSGSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652764 721242682 /nfs/dbraw/zinc/24/26/82/721242682.db2.gz QRNHQRDKVYBOOW-QZTJIDSGSA-N 1 3 335.536 2.757 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C/Cl)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594783 721247111 /nfs/dbraw/zinc/24/71/11/721247111.db2.gz LWXTVYKRMQUBNX-ASECLENFSA-N 1 3 339.911 2.584 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C/Cl)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001028594783 721247112 /nfs/dbraw/zinc/24/71/12/721247112.db2.gz LWXTVYKRMQUBNX-ASECLENFSA-N 1 3 339.911 2.584 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C\Cl)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594784 721247188 /nfs/dbraw/zinc/24/71/88/721247188.db2.gz LWXTVYKRMQUBNX-BGJJHJCKSA-N 1 3 339.911 2.584 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C\Cl)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001028594784 721247194 /nfs/dbraw/zinc/24/71/94/721247194.db2.gz LWXTVYKRMQUBNX-BGJJHJCKSA-N 1 3 339.911 2.584 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683951 721284722 /nfs/dbraw/zinc/28/47/22/721284722.db2.gz QPQXGUMLWVGNCJ-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683951 721284724 /nfs/dbraw/zinc/28/47/24/721284724.db2.gz QPQXGUMLWVGNCJ-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC1(C)C[N@H+](CC2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000974685108 721287466 /nfs/dbraw/zinc/28/74/66/721287466.db2.gz TWJKQGKNRMCBQF-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC1(C)C[N@@H+](CC2CC2)C[C@@H]1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000974685108 721287469 /nfs/dbraw/zinc/28/74/69/721287469.db2.gz TWJKQGKNRMCBQF-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001026884938 721293701 /nfs/dbraw/zinc/29/37/01/721293701.db2.gz DKQXYPMZJKFXDY-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001026884990 721293749 /nfs/dbraw/zinc/29/37/49/721293749.db2.gz FDEJXYMFHMJDBM-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885032 721293819 /nfs/dbraw/zinc/29/38/19/721293819.db2.gz FFCJBQINOLQWOO-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001026885027 721293875 /nfs/dbraw/zinc/29/38/75/721293875.db2.gz FDEJXYMFHMJDBM-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001026885174 721293897 /nfs/dbraw/zinc/29/38/97/721293897.db2.gz GRYMXJNONNNWGA-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885907 721295032 /nfs/dbraw/zinc/29/50/32/721295032.db2.gz OUVCEHOGWNHASP-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885908 721295251 /nfs/dbraw/zinc/29/52/51/721295251.db2.gz OUVCEHOGWNHASP-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001026889069 721297263 /nfs/dbraw/zinc/29/72/63/721297263.db2.gz RMMBOBNVSZOKKX-MJGOQNOKSA-N 1 3 349.563 2.981 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001026888961 721297273 /nfs/dbraw/zinc/29/72/73/721297273.db2.gz PWYBINHSVUJOGK-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001026889051 721297554 /nfs/dbraw/zinc/29/75/54/721297554.db2.gz RJJLCGRCUQTZTD-AZUAARDMSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001026890523 721299635 /nfs/dbraw/zinc/29/96/35/721299635.db2.gz JXGLIFXGXDWMLG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886397 721305159 /nfs/dbraw/zinc/30/51/59/721305159.db2.gz VXTBNWMAXSSFEU-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1)C1CC1 ZINC001026887033 721306410 /nfs/dbraw/zinc/30/64/10/721306410.db2.gz JYNOFPNHHRWQCM-RDTXWAMCSA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1)C1CC1 ZINC001026887032 721306682 /nfs/dbraw/zinc/30/66/82/721306682.db2.gz JYNOFPNHHRWQCM-KSSFIOAISA-N 1 3 349.906 2.618 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887958 721307882 /nfs/dbraw/zinc/30/78/82/721307882.db2.gz YRDCBHBZKHCVFZ-UYAOXDASSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001026888314 721308228 /nfs/dbraw/zinc/30/82/28/721308228.db2.gz CVXPNADFUDJVBJ-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC001026888431 721309206 /nfs/dbraw/zinc/30/92/06/721309206.db2.gz FVWDONOFYZTPNL-AZUAARDMSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901004 721311998 /nfs/dbraw/zinc/31/19/98/721311998.db2.gz HLAUKCCGGIAHJG-OALUTQOASA-N 1 3 331.504 2.519 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901287 721312244 /nfs/dbraw/zinc/31/22/44/721312244.db2.gz MMCCPTDUZVDGED-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001026901550 721312746 /nfs/dbraw/zinc/31/27/46/721312746.db2.gz RTJDLMOFKZNBBF-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000985646705 724751879 /nfs/dbraw/zinc/75/18/79/724751879.db2.gz KENILGJRVBNLND-HNNXBMFYSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000985646705 724751880 /nfs/dbraw/zinc/75/18/80/724751880.db2.gz KENILGJRVBNLND-HNNXBMFYSA-N 1 3 335.517 2.655 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001026916210 721343593 /nfs/dbraw/zinc/34/35/93/721343593.db2.gz DMKWMFKOQOIVOE-NVXWUHKLSA-N 1 3 337.533 2.643 20 0 EFADHO CCC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985647374 724753490 /nfs/dbraw/zinc/75/34/90/724753490.db2.gz PIBDNCKBUQYWAC-GOSISDBHSA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985647374 724753493 /nfs/dbraw/zinc/75/34/93/724753493.db2.gz PIBDNCKBUQYWAC-GOSISDBHSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1 ZINC000985648064 724754682 /nfs/dbraw/zinc/75/46/82/724754682.db2.gz UKTMBNJOINPHNW-GOSISDBHSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC000985648064 724754685 /nfs/dbraw/zinc/75/46/85/724754685.db2.gz UKTMBNJOINPHNW-GOSISDBHSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893395207 721374557 /nfs/dbraw/zinc/37/45/57/721374557.db2.gz LSJPLGWRXJJSJO-OALUTQOASA-N 1 3 348.535 2.662 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761268 721399241 /nfs/dbraw/zinc/39/92/41/721399241.db2.gz ULKYMDZSRFNTBC-QZTJIDSGSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761268 721399246 /nfs/dbraw/zinc/39/92/46/721399246.db2.gz ULKYMDZSRFNTBC-QZTJIDSGSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3=CCCCC3)CC2)C1 ZINC000985652724 724761969 /nfs/dbraw/zinc/76/19/69/724761969.db2.gz HNTIJLCJXLKJOP-QGZVFWFLSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC000985652724 724761973 /nfs/dbraw/zinc/76/19/73/724761973.db2.gz HNTIJLCJXLKJOP-QGZVFWFLSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C)c2)CC1)N(C)C ZINC000985653477 724762129 /nfs/dbraw/zinc/76/21/29/724762129.db2.gz VMSYPIXLUXWTBS-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C)c2)CC1)N(C)C ZINC000985653477 724762131 /nfs/dbraw/zinc/76/21/31/724762131.db2.gz VMSYPIXLUXWTBS-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccsc3)CC2)C1 ZINC000985653708 724762477 /nfs/dbraw/zinc/76/24/77/724762477.db2.gz LZJXUACYROACRN-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccsc3)CC2)C1 ZINC000985653708 724762480 /nfs/dbraw/zinc/76/24/80/724762480.db2.gz LZJXUACYROACRN-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762175 721419269 /nfs/dbraw/zinc/41/92/69/721419269.db2.gz WMUGAMFKCYQPRO-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762175 721419271 /nfs/dbraw/zinc/41/92/71/721419271.db2.gz WMUGAMFKCYQPRO-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985656789 724768675 /nfs/dbraw/zinc/76/86/75/724768675.db2.gz NOCPMFONQNFBJZ-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985656789 724768681 /nfs/dbraw/zinc/76/86/81/724768681.db2.gz NOCPMFONQNFBJZ-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1)N(C)C ZINC000985658859 724770094 /nfs/dbraw/zinc/77/00/94/724770094.db2.gz ZZGAHZKMOJRAHG-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1)N(C)C ZINC000985658859 724770096 /nfs/dbraw/zinc/77/00/96/724770096.db2.gz ZZGAHZKMOJRAHG-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001029853055 724775218 /nfs/dbraw/zinc/77/52/18/724775218.db2.gz KMLSBLZBZITKAG-GOSISDBHSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001029853055 724775219 /nfs/dbraw/zinc/77/52/19/724775219.db2.gz KMLSBLZBZITKAG-GOSISDBHSA-N 1 3 340.471 2.550 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCCC1 ZINC001029853424 724776571 /nfs/dbraw/zinc/77/65/71/724776571.db2.gz OEPOPMQAAHJJHI-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCCC1 ZINC001029853424 724776573 /nfs/dbraw/zinc/77/65/73/724776573.db2.gz OEPOPMQAAHJJHI-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC001029971001 724776975 /nfs/dbraw/zinc/77/69/75/724776975.db2.gz BWMHKNDWOGXBFV-FQEVSTJZSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC001029971001 724776976 /nfs/dbraw/zinc/77/69/76/724776976.db2.gz BWMHKNDWOGXBFV-FQEVSTJZSA-N 1 3 343.515 2.697 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853711 724779315 /nfs/dbraw/zinc/77/93/15/724779315.db2.gz QPHARHGBGGEGLQ-HNNXBMFYSA-N 1 3 346.862 2.586 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853711 724779316 /nfs/dbraw/zinc/77/93/16/724779316.db2.gz QPHARHGBGGEGLQ-HNNXBMFYSA-N 1 3 346.862 2.586 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)N(C)C ZINC001029972888 724782562 /nfs/dbraw/zinc/78/25/62/724782562.db2.gz WEIGZPNRGZFILH-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)N(C)C ZINC001029972888 724782566 /nfs/dbraw/zinc/78/25/66/724782566.db2.gz WEIGZPNRGZFILH-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710389 721878465 /nfs/dbraw/zinc/87/84/65/721878465.db2.gz MCFXEXRGVVZCEA-FUHWJXTLSA-N 1 3 349.494 2.591 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924958308 721887644 /nfs/dbraw/zinc/88/76/44/721887644.db2.gz DZYUEJAGFJAGJL-GTPINHCMSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1coc2ccccc21 ZINC000924964936 721917952 /nfs/dbraw/zinc/91/79/52/721917952.db2.gz MCEVMCADUVRLKD-GJZGRUSLSA-N 1 3 329.444 2.671 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001028779070 721982189 /nfs/dbraw/zinc/98/21/89/721982189.db2.gz UDCRNBQNNSKQPG-MRXNPFEDSA-N 1 3 349.906 2.620 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001028845547 722044303 /nfs/dbraw/zinc/04/43/03/722044303.db2.gz MILFVEAWUNXLJS-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001028845547 722044305 /nfs/dbraw/zinc/04/43/05/722044305.db2.gz MILFVEAWUNXLJS-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001028846238 722045043 /nfs/dbraw/zinc/04/50/43/722045043.db2.gz ZWLSVRURBCACJP-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001028846238 722045044 /nfs/dbraw/zinc/04/50/44/722045044.db2.gz ZWLSVRURBCACJP-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)CC1 ZINC001028902135 722084289 /nfs/dbraw/zinc/08/42/89/722084289.db2.gz OULVRNVJEPAGRB-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO COc1ccc2nccc(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000894357909 722607245 /nfs/dbraw/zinc/60/72/45/722607245.db2.gz ATCCIDPFMCHIKI-UHFFFAOYSA-N 1 3 327.428 2.544 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001029000757 722617134 /nfs/dbraw/zinc/61/71/34/722617134.db2.gz JEFZXFAMNUQBRM-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001029000757 722617136 /nfs/dbraw/zinc/61/71/36/722617136.db2.gz JEFZXFAMNUQBRM-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001008 722617442 /nfs/dbraw/zinc/61/74/42/722617442.db2.gz NQTYUHSJUFEZLK-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001008 722617444 /nfs/dbraw/zinc/61/74/44/722617444.db2.gz NQTYUHSJUFEZLK-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001237 722618368 /nfs/dbraw/zinc/61/83/68/722618368.db2.gz SKTTYKKAELMFRZ-QGZVFWFLSA-N 1 3 329.488 2.766 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001237 722618370 /nfs/dbraw/zinc/61/83/70/722618370.db2.gz SKTTYKKAELMFRZ-QGZVFWFLSA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001239 722618462 /nfs/dbraw/zinc/61/84/62/722618462.db2.gz SMZXEIUYLYIUAG-NVXWUHKLSA-N 1 3 335.467 2.548 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001029001761 722619831 /nfs/dbraw/zinc/61/98/31/722619831.db2.gz BSRLEPDOOYSYGA-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001029001761 722619834 /nfs/dbraw/zinc/61/98/34/722619834.db2.gz BSRLEPDOOYSYGA-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001029001738 722619981 /nfs/dbraw/zinc/61/99/81/722619981.db2.gz BQICMSGAQYCWFP-SJLPKXTDSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001029001738 722619982 /nfs/dbraw/zinc/61/99/82/722619982.db2.gz BQICMSGAQYCWFP-SJLPKXTDSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001029065363 722725281 /nfs/dbraw/zinc/72/52/81/722725281.db2.gz GGOXAJKOANRSKA-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001029066107 722726190 /nfs/dbraw/zinc/72/61/90/722726190.db2.gz OVENBRULEJUBIV-CRAIPNDOSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)c1 ZINC000939129564 728763337 /nfs/dbraw/zinc/76/33/37/728763337.db2.gz XXUZKQXKWXQUQD-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000894624931 722801217 /nfs/dbraw/zinc/80/12/17/722801217.db2.gz XMXLVSSCHRJKKM-JXFKEZNVSA-N 1 3 346.471 2.545 20 0 EFADHO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000894624931 722801218 /nfs/dbraw/zinc/80/12/18/722801218.db2.gz XMXLVSSCHRJKKM-JXFKEZNVSA-N 1 3 346.471 2.545 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000983660549 722845102 /nfs/dbraw/zinc/84/51/02/722845102.db2.gz IFMBPRWUOSAKNC-GUDVDZBRSA-N 1 3 333.520 2.844 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000983673643 722858622 /nfs/dbraw/zinc/85/86/22/722858622.db2.gz CDHJRLIXRVCPBH-VNGAXPGBSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029106754 722877542 /nfs/dbraw/zinc/87/75/42/722877542.db2.gz CGQJPBLJIQLTTK-HNAYVOBHSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029109020 722879729 /nfs/dbraw/zinc/87/97/29/722879729.db2.gz YSIDUGJXEIUIBV-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000894860968 722908183 /nfs/dbraw/zinc/90/81/83/722908183.db2.gz MFNOHENCXFVGDT-ZDUSSCGKSA-N 1 3 344.425 2.988 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000894860968 722908185 /nfs/dbraw/zinc/90/81/85/722908185.db2.gz MFNOHENCXFVGDT-ZDUSSCGKSA-N 1 3 344.425 2.988 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001029144620 722922623 /nfs/dbraw/zinc/92/26/23/722922623.db2.gz LEIAJLUSRRUGAD-BBRMVZONSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143392 722923885 /nfs/dbraw/zinc/92/38/85/722923885.db2.gz HECVNWPMUYZIHT-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001029145730 722924386 /nfs/dbraw/zinc/92/43/86/722924386.db2.gz DJETWCOLQRXYKH-KXBFYZLASA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001029145728 722924586 /nfs/dbraw/zinc/92/45/86/722924586.db2.gz DJETWCOLQRXYKH-BEFAXECRSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029160067 722932631 /nfs/dbraw/zinc/93/26/31/722932631.db2.gz OINJPESMPUJZKA-QGZVFWFLSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001029172294 722940381 /nfs/dbraw/zinc/94/03/81/722940381.db2.gz BFYCVXXYOCSJBO-MRXNPFEDSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC001029172745 722940901 /nfs/dbraw/zinc/94/09/01/722940901.db2.gz GSEGLEQIYCQBMT-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001029173069 722941253 /nfs/dbraw/zinc/94/12/53/722941253.db2.gz KYGFDWBDXLQZGO-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000895943198 723066221 /nfs/dbraw/zinc/06/62/21/723066221.db2.gz VQZCLNIDDBXDMR-QFBILLFUSA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000895943198 723066223 /nfs/dbraw/zinc/06/62/23/723066223.db2.gz VQZCLNIDDBXDMR-QFBILLFUSA-N 1 3 347.503 2.581 20 0 EFADHO Cc1ccc(CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C ZINC000896003454 723095207 /nfs/dbraw/zinc/09/52/07/723095207.db2.gz WPNPSRRCTKMRMM-UHFFFAOYSA-N 1 3 343.515 2.652 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000896183795 723178764 /nfs/dbraw/zinc/17/87/64/723178764.db2.gz IGWOQRCGKYGIHK-LJQANCHMSA-N 1 3 347.503 2.725 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000896183795 723178766 /nfs/dbraw/zinc/17/87/66/723178766.db2.gz IGWOQRCGKYGIHK-LJQANCHMSA-N 1 3 347.503 2.725 20 0 EFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCC([NH3+])CC1 ZINC000237224399 723303380 /nfs/dbraw/zinc/30/33/80/723303380.db2.gz NQLRGIDMZPKUNQ-IPJUCJBFSA-N 1 3 347.478 2.766 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029306719 723321704 /nfs/dbraw/zinc/32/17/04/723321704.db2.gz YVSUADIMIUMCIB-CEXWTWQISA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029306719 723321706 /nfs/dbraw/zinc/32/17/06/723321706.db2.gz YVSUADIMIUMCIB-CEXWTWQISA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCCC1 ZINC001029308663 723326831 /nfs/dbraw/zinc/32/68/31/723326831.db2.gz OBRTYFVETPQRLW-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCCC1 ZINC001029308663 723326834 /nfs/dbraw/zinc/32/68/34/723326834.db2.gz OBRTYFVETPQRLW-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@@H+]1C ZINC001029315637 723339183 /nfs/dbraw/zinc/33/91/83/723339183.db2.gz PVVHLZIFQMODKP-ZGXWSNOMSA-N 1 3 345.531 2.892 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@H+]1C ZINC001029315637 723339185 /nfs/dbraw/zinc/33/91/85/723339185.db2.gz PVVHLZIFQMODKP-ZGXWSNOMSA-N 1 3 345.531 2.892 20 0 EFADHO COc1ccc2nccc(N3CCC[C@@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000895123967 723356673 /nfs/dbraw/zinc/35/66/73/723356673.db2.gz LMFHIACCVPNXPQ-MRXNPFEDSA-N 1 3 341.455 2.981 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939209520 728817073 /nfs/dbraw/zinc/81/70/73/728817073.db2.gz GYZIQZUCARQJSG-DNVCBOLYSA-N 1 3 340.471 2.541 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031802323 728819876 /nfs/dbraw/zinc/81/98/76/728819876.db2.gz PRNDIIVZYGVSMF-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001031802323 728819879 /nfs/dbraw/zinc/81/98/79/728819879.db2.gz PRNDIIVZYGVSMF-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(CN(C)C)cc2OC)C1 ZINC000909474700 723468491 /nfs/dbraw/zinc/46/84/91/723468491.db2.gz HMSQCHCQDIVATJ-MRXNPFEDSA-N 1 3 333.476 2.817 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CN(C)C)cc2OC)C1 ZINC000909474700 723468493 /nfs/dbraw/zinc/46/84/93/723468493.db2.gz HMSQCHCQDIVATJ-MRXNPFEDSA-N 1 3 333.476 2.817 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC000984799826 723494673 /nfs/dbraw/zinc/49/46/73/723494673.db2.gz KWYWNHQAMOEAIC-YKTARERQSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC000984801011 723494869 /nfs/dbraw/zinc/49/48/69/723494869.db2.gz WEAWERLMWCAYOP-ZMMAXQRCSA-N 1 3 329.488 2.716 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984804642 723496314 /nfs/dbraw/zinc/49/63/14/723496314.db2.gz PYQFXJDAVMPMPK-MBOZVWFJSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(F)c1 ZINC000984806104 723496682 /nfs/dbraw/zinc/49/66/82/723496682.db2.gz XLIABUBQEUIOOO-FPXQBCRKSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000984806496 723496782 /nfs/dbraw/zinc/49/67/82/723496782.db2.gz YFEQYTSUYLCLSI-ZTTFOMCMSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCc3ccccc32)C1 ZINC000984806488 723496896 /nfs/dbraw/zinc/49/68/96/723496896.db2.gz YFEQYTSUYLCLSI-DUPRYPCISA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC000984802892 723500752 /nfs/dbraw/zinc/50/07/52/723500752.db2.gz FBPHDTLYQGVHLC-QRTARXTBSA-N 1 3 335.517 2.525 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000984802903 723500781 /nfs/dbraw/zinc/50/07/81/723500781.db2.gz FGYOFYWTCCGCBF-QWFCFKBJSA-N 1 3 343.515 2.772 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000896848998 723545466 /nfs/dbraw/zinc/54/54/66/723545466.db2.gz NSBBBBDLWRLVBR-SCTDSRPQSA-N 1 3 347.503 2.723 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031806643 728842697 /nfs/dbraw/zinc/84/26/97/728842697.db2.gz JESDEACUTGUZNC-FXAWDEMLSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031806643 728842702 /nfs/dbraw/zinc/84/27/02/728842702.db2.gz JESDEACUTGUZNC-FXAWDEMLSA-N 1 3 343.515 2.916 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029405180 723851847 /nfs/dbraw/zinc/85/18/47/723851847.db2.gz BEOOVTKQBLUSTP-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029405180 723851853 /nfs/dbraw/zinc/85/18/53/723851853.db2.gz BEOOVTKQBLUSTP-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000985146192 723882335 /nfs/dbraw/zinc/88/23/35/723882335.db2.gz OYTWAZKXGMIKSK-FXRXJOCMSA-N 1 3 347.478 2.683 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000985149290 723886808 /nfs/dbraw/zinc/88/68/08/723886808.db2.gz NOHJDJGKZZYWON-MISYRCLQSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000985150522 723889366 /nfs/dbraw/zinc/88/93/66/723889366.db2.gz SWJXWVVAUYFPSS-DSWCUTRASA-N 1 3 343.515 2.852 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000985150979 723889753 /nfs/dbraw/zinc/88/97/53/723889753.db2.gz VBQOAQGAWXOMQK-BRWVUGGUSA-N 1 3 335.517 2.607 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=S)NC1CCN(C)CC1 ZINC000727283020 723890345 /nfs/dbraw/zinc/89/03/45/723890345.db2.gz IANMFZQDPUQVAM-UHFFFAOYSA-N 1 3 348.560 2.539 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000985154660 723893270 /nfs/dbraw/zinc/89/32/70/723893270.db2.gz LRVSETNMTKYPPD-UFYCRDLUSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000985155193 723893834 /nfs/dbraw/zinc/89/38/34/723893834.db2.gz RCTFWBOMIMPNNB-WDSOQIARSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cc(F)ncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000895347928 724058691 /nfs/dbraw/zinc/05/86/91/724058691.db2.gz WBIVNZRYKKPDCH-UHFFFAOYSA-N 1 3 328.435 2.926 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221920 724090936 /nfs/dbraw/zinc/09/09/36/724090936.db2.gz QLBQJZLOKSWLGA-ZWKOTPCHSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221920 724090940 /nfs/dbraw/zinc/09/09/40/724090940.db2.gz QLBQJZLOKSWLGA-ZWKOTPCHSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897221917 724091278 /nfs/dbraw/zinc/09/12/78/724091278.db2.gz QLBQJZLOKSWLGA-MSOLQXFVSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221917 724091281 /nfs/dbraw/zinc/09/12/81/724091281.db2.gz QLBQJZLOKSWLGA-MSOLQXFVSA-N 1 3 325.456 2.887 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000985328098 724129363 /nfs/dbraw/zinc/12/93/63/724129363.db2.gz POOSJCCQZHBNOV-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000985328098 724129366 /nfs/dbraw/zinc/12/93/66/724129366.db2.gz POOSJCCQZHBNOV-SFHVURJKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331020 724134301 /nfs/dbraw/zinc/13/43/01/724134301.db2.gz BWJDWNQJSVSNQG-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331020 724134302 /nfs/dbraw/zinc/13/43/02/724134302.db2.gz BWJDWNQJSVSNQG-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCC2=CCCCC2)CC1 ZINC000985333105 724139382 /nfs/dbraw/zinc/13/93/82/724139382.db2.gz XKJDDMQFEVLDDH-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000985333105 724139383 /nfs/dbraw/zinc/13/93/83/724139383.db2.gz XKJDDMQFEVLDDH-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 ZINC000895503205 724163046 /nfs/dbraw/zinc/16/30/46/724163046.db2.gz JLQSPLIKZQOSFI-MRXNPFEDSA-N 1 3 349.450 2.791 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC000895497263 724168762 /nfs/dbraw/zinc/16/87/62/724168762.db2.gz ZXODIOMHPGZIRE-GOSISDBHSA-N 1 3 331.460 2.652 20 0 EFADHO COc1ccc(C2=NO[C@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC000895497234 724168811 /nfs/dbraw/zinc/16/88/11/724168811.db2.gz ZAVSCAQPLJETBT-SFHVURJKSA-N 1 3 331.460 2.651 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 ZINC000895500764 724171303 /nfs/dbraw/zinc/17/13/03/724171303.db2.gz MQMBMXVWVDYZDP-GOSISDBHSA-N 1 3 345.487 2.961 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029583055 724181420 /nfs/dbraw/zinc/18/14/20/724181420.db2.gz LQDQFPPKNMPJRV-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029583055 724181422 /nfs/dbraw/zinc/18/14/22/724181422.db2.gz LQDQFPPKNMPJRV-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCC2)c1 ZINC001029596743 724201698 /nfs/dbraw/zinc/20/16/98/724201698.db2.gz YKYYNZNXGHEOTO-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCC2)c1 ZINC001029596743 724201702 /nfs/dbraw/zinc/20/17/02/724201702.db2.gz YKYYNZNXGHEOTO-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000895652472 724246817 /nfs/dbraw/zinc/24/68/17/724246817.db2.gz LWKFVCPEDVFFBA-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672514 724361930 /nfs/dbraw/zinc/36/19/30/724361930.db2.gz JQRUEGJGRFMCEO-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672514 724361934 /nfs/dbraw/zinc/36/19/34/724361934.db2.gz JQRUEGJGRFMCEO-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029675150 724368196 /nfs/dbraw/zinc/36/81/96/724368196.db2.gz LDZJHEWYTYCAGJ-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029675150 724368198 /nfs/dbraw/zinc/36/81/98/724368198.db2.gz LDZJHEWYTYCAGJ-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001029675351 724368970 /nfs/dbraw/zinc/36/89/70/724368970.db2.gz MLGHTVVTNCFJKC-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001029675351 724368975 /nfs/dbraw/zinc/36/89/75/724368975.db2.gz MLGHTVVTNCFJKC-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675994 724369820 /nfs/dbraw/zinc/36/98/20/724369820.db2.gz YZUDGRWPAQPEDR-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675994 724369823 /nfs/dbraw/zinc/36/98/23/724369823.db2.gz YZUDGRWPAQPEDR-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)N(C)C ZINC001029459477 724379335 /nfs/dbraw/zinc/37/93/35/724379335.db2.gz ZCHNMYGPJAGMCM-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1)N(C)C ZINC001029459477 724379339 /nfs/dbraw/zinc/37/93/39/724379339.db2.gz ZCHNMYGPJAGMCM-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CN(Cc1ccccc1Cl)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985788867 724886185 /nfs/dbraw/zinc/88/61/85/724886185.db2.gz ZXLUTDIOJCBOCE-INIZCTEOSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccccc1Cl)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985788867 724886187 /nfs/dbraw/zinc/88/61/87/724886187.db2.gz ZXLUTDIOJCBOCE-INIZCTEOSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790094 724886939 /nfs/dbraw/zinc/88/69/39/724886939.db2.gz PHWIVRHJKUUSPW-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790094 724886940 /nfs/dbraw/zinc/88/69/40/724886940.db2.gz PHWIVRHJKUUSPW-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790201 724887339 /nfs/dbraw/zinc/88/73/39/724887339.db2.gz RGSQIDQUASOMIU-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790201 724887341 /nfs/dbraw/zinc/88/73/41/724887341.db2.gz RGSQIDQUASOMIU-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790199 724887549 /nfs/dbraw/zinc/88/75/49/724887549.db2.gz RGSQIDQUASOMIU-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790199 724887552 /nfs/dbraw/zinc/88/75/52/724887552.db2.gz RGSQIDQUASOMIU-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000985791608 724888949 /nfs/dbraw/zinc/88/89/49/724888949.db2.gz LSBSBTWVEJBRDK-MRXNPFEDSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000985791608 724888950 /nfs/dbraw/zinc/88/89/50/724888950.db2.gz LSBSBTWVEJBRDK-MRXNPFEDSA-N 1 3 347.478 2.509 20 0 EFADHO C[N@H+](CC1CCCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794355 724890131 /nfs/dbraw/zinc/89/01/31/724890131.db2.gz XRSIZYAYFPKDQP-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CC1CCCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794355 724890134 /nfs/dbraw/zinc/89/01/34/724890134.db2.gz XRSIZYAYFPKDQP-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)c1 ZINC000986939753 724962184 /nfs/dbraw/zinc/96/21/84/724962184.db2.gz OJDKEQRDBFEMAD-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942590 724963597 /nfs/dbraw/zinc/96/35/97/724963597.db2.gz UXPYHSNVNKYNDN-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)cs1 ZINC000986943094 724977854 /nfs/dbraw/zinc/97/78/54/724977854.db2.gz VLRNWPYORSUERM-RDJZCZTQSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3=CCCCC3)CC2)C1 ZINC001029995453 724982059 /nfs/dbraw/zinc/98/20/59/724982059.db2.gz KQPHHXVJYSUVBW-GOSISDBHSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC001029995453 724982064 /nfs/dbraw/zinc/98/20/64/724982064.db2.gz KQPHHXVJYSUVBW-GOSISDBHSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC001029995425 724982150 /nfs/dbraw/zinc/98/21/50/724982150.db2.gz JVSPEDGECWBZFX-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC001029995425 724982154 /nfs/dbraw/zinc/98/21/54/724982154.db2.gz JVSPEDGECWBZFX-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)Cc3ccsc3)CC2)C1 ZINC001029995802 724982917 /nfs/dbraw/zinc/98/29/17/724982917.db2.gz ZDZDGNILVIMUCF-INIZCTEOSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)Cc3ccsc3)CC2)C1 ZINC001029995802 724982919 /nfs/dbraw/zinc/98/29/19/724982919.db2.gz ZDZDGNILVIMUCF-INIZCTEOSA-N 1 3 349.544 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001029996567 724985511 /nfs/dbraw/zinc/98/55/11/724985511.db2.gz CJAIDAKWPYFBJO-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001029996567 724985515 /nfs/dbraw/zinc/98/55/15/724985515.db2.gz CJAIDAKWPYFBJO-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000235 724995168 /nfs/dbraw/zinc/99/51/68/724995168.db2.gz VPEGYASDNPLQIW-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000235 724995170 /nfs/dbraw/zinc/99/51/70/724995170.db2.gz VPEGYASDNPLQIW-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001030014695 725440631 /nfs/dbraw/zinc/44/06/31/725440631.db2.gz IDFAAZKIOVQZIU-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001030014695 725440632 /nfs/dbraw/zinc/44/06/32/725440632.db2.gz IDFAAZKIOVQZIU-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056153 725465735 /nfs/dbraw/zinc/46/57/35/725465735.db2.gz DSMRPQREGXMISS-WMLDXEAASA-N 1 3 330.476 2.502 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056152 725465862 /nfs/dbraw/zinc/46/58/62/725465862.db2.gz DSMRPQREGXMISS-RHSMWYFYSA-N 1 3 330.476 2.502 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)c(C)c1 ZINC000987060653 725471165 /nfs/dbraw/zinc/47/11/65/725471165.db2.gz VWRHRHPKHOUKCV-LPHOPBHVSA-N 1 3 340.471 2.657 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987063703 725473768 /nfs/dbraw/zinc/47/37/68/725473768.db2.gz DFCQZIMQPDCKGB-KXBFYZLASA-N 1 3 340.471 2.684 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987063692 725473830 /nfs/dbraw/zinc/47/38/30/725473830.db2.gz DFCQZIMQPDCKGB-BEFAXECRSA-N 1 3 340.471 2.684 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987122004 725523407 /nfs/dbraw/zinc/52/34/07/725523407.db2.gz BJMGNMDBINVLDH-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)(C)OC(=O)NC1(CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000897423888 725524226 /nfs/dbraw/zinc/52/42/26/725524226.db2.gz RZJPZHGCFHXUHO-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000897423888 725524229 /nfs/dbraw/zinc/52/42/29/725524229.db2.gz RZJPZHGCFHXUHO-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)c1 ZINC000987251440 725612079 /nfs/dbraw/zinc/61/20/79/725612079.db2.gz BWXMTNKVCMUZBR-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252028 725612448 /nfs/dbraw/zinc/61/24/48/725612448.db2.gz DAMSWGCTGQQAND-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256959 725615189 /nfs/dbraw/zinc/61/51/89/725615189.db2.gz UURGQOJSRNNCKG-IEBWSBKVSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC000948055513 725654360 /nfs/dbraw/zinc/65/43/60/725654360.db2.gz CZZVPLUKQROLLH-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC000948055513 725654362 /nfs/dbraw/zinc/65/43/62/725654362.db2.gz CZZVPLUKQROLLH-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987527920 725735829 /nfs/dbraw/zinc/73/58/29/725735829.db2.gz XSVXVYBOMYORNN-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000987522081 725738420 /nfs/dbraw/zinc/73/84/20/725738420.db2.gz FFAIHLULCAAELN-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987522073 725738519 /nfs/dbraw/zinc/73/85/19/725738519.db2.gz FCCPRQLIJBBUFF-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987534204 725741648 /nfs/dbraw/zinc/74/16/48/725741648.db2.gz VUINDRLUOFAXEJ-CRAIPNDOSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569257 725759408 /nfs/dbraw/zinc/75/94/08/725759408.db2.gz WQTCUOVBEBAZAZ-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569466 725759695 /nfs/dbraw/zinc/75/96/95/725759695.db2.gz XKWSXBGWUKUZOX-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426705 725802323 /nfs/dbraw/zinc/80/23/23/725802323.db2.gz KKWGAFDBXZDEDW-AYBZRNKSSA-N 1 3 347.528 2.703 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426705 725802326 /nfs/dbraw/zinc/80/23/26/725802326.db2.gz KKWGAFDBXZDEDW-AYBZRNKSSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000261833724 725934768 /nfs/dbraw/zinc/93/47/68/725934768.db2.gz OKGNPGVBIMIIMY-QKLQHJQFSA-N 1 3 343.515 2.525 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccsc1 ZINC000914065801 725996253 /nfs/dbraw/zinc/99/62/53/725996253.db2.gz GAYAFWRAAJTXRB-HNNXBMFYSA-N 1 3 338.521 2.524 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992689684 726116380 /nfs/dbraw/zinc/11/63/80/726116380.db2.gz LIGVINFCRVKAGZ-OKZBNKHCSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000925276933 726239988 /nfs/dbraw/zinc/23/99/88/726239988.db2.gz RHWZBWBWUARKPA-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@@H]3C2)C1 ZINC000992806183 726244303 /nfs/dbraw/zinc/24/43/03/726244303.db2.gz DJYFGTWTRACFHS-OTWHNJEPSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992814890 726257062 /nfs/dbraw/zinc/25/70/62/726257062.db2.gz JOSDYYXDQJDHGI-KZNAEPCWSA-N 1 3 335.536 2.591 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCCC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390189 726277508 /nfs/dbraw/zinc/27/75/08/726277508.db2.gz BYNJQWMCFIIPEI-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390189 726277509 /nfs/dbraw/zinc/27/75/09/726277509.db2.gz BYNJQWMCFIIPEI-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992920187 726338873 /nfs/dbraw/zinc/33/88/73/726338873.db2.gz AURCTGGFOKZOAO-VAMGGRTRSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992920186 726338890 /nfs/dbraw/zinc/33/88/90/726338890.db2.gz AURCTGGFOKZOAO-SLFFLAALSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@@H]3C2)c1 ZINC000992921019 726339301 /nfs/dbraw/zinc/33/93/01/726339301.db2.gz BSQJKDWZXGCPAI-IPMKNSEASA-N 1 3 347.478 2.548 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992926516 726342552 /nfs/dbraw/zinc/34/25/52/726342552.db2.gz OWHKFSHOXPBMTF-GBESFXJTSA-N 1 3 329.488 2.598 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000906790392 726416808 /nfs/dbraw/zinc/41/68/08/726416808.db2.gz SKRCEEUFFQFRKO-CVEARBPZSA-N 1 3 345.512 2.932 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000906790392 726416809 /nfs/dbraw/zinc/41/68/09/726416809.db2.gz SKRCEEUFFQFRKO-CVEARBPZSA-N 1 3 345.512 2.932 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000915229162 726907829 /nfs/dbraw/zinc/90/78/29/726907829.db2.gz XRPGCJIZSSBMPS-UHFFFAOYSA-N 1 3 344.547 2.794 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908145758 727102394 /nfs/dbraw/zinc/10/23/94/727102394.db2.gz IQSCYRRQKSIPNE-YJBOKZPZSA-N 1 3 340.471 2.990 20 0 EFADHO CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC12CCCCC2 ZINC000908574423 727219077 /nfs/dbraw/zinc/21/90/77/727219077.db2.gz XONQPQSULIDRLM-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)c1 ZINC000993758950 727510505 /nfs/dbraw/zinc/51/05/05/727510505.db2.gz JTWCKGINMXIJKI-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)c1 ZINC000993758957 727510535 /nfs/dbraw/zinc/51/05/35/727510535.db2.gz JTWCKGINMXIJKI-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccsc3)[C@H]2C)CC1 ZINC000994082695 727593849 /nfs/dbraw/zinc/59/38/49/727593849.db2.gz RGUYMXWFXMXAQV-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO CC1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccsc3)[C@H]2C)CC1 ZINC000994082695 727593851 /nfs/dbraw/zinc/59/38/51/727593851.db2.gz RGUYMXWFXMXAQV-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705863 727638437 /nfs/dbraw/zinc/63/84/37/727638437.db2.gz QLHBUEBYYYPQTE-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705863 727638438 /nfs/dbraw/zinc/63/84/38/727638438.db2.gz QLHBUEBYYYPQTE-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994252510 727674643 /nfs/dbraw/zinc/67/46/43/727674643.db2.gz MBOFDCVWHTZOOP-PKOBYXMFSA-N 1 3 341.499 2.560 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cc1c[nH]cn1 ZINC000912455467 727714151 /nfs/dbraw/zinc/71/41/51/727714151.db2.gz MGYSNRZAVRGIGO-UHFFFAOYSA-N 1 3 348.878 2.976 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000913007647 727768421 /nfs/dbraw/zinc/76/84/21/727768421.db2.gz WJMNKLNLIVWLES-OAHLLOKOSA-N 1 3 328.460 2.753 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000913007647 727768424 /nfs/dbraw/zinc/76/84/24/727768424.db2.gz WJMNKLNLIVWLES-OAHLLOKOSA-N 1 3 328.460 2.753 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1(Br)CC1 ZINC000925437371 727795502 /nfs/dbraw/zinc/79/55/02/727795502.db2.gz MFTVHUAPYLNNEL-MCIONIFRSA-N 1 3 333.314 2.781 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)N1CCCC1 ZINC000995047711 727913528 /nfs/dbraw/zinc/91/35/28/727913528.db2.gz AGDKMQWMQVUXLM-RBUKOAKNSA-N 1 3 343.515 2.936 20 0 EFADHO Cc1cc(C)c(CN2CC(CNC(=O)C3CC[NH+](C)CC3)C2)c(C)c1 ZINC001031948059 727982079 /nfs/dbraw/zinc/98/20/79/727982079.db2.gz PRTHFIQFPNOAHW-UHFFFAOYSA-N 1 3 343.515 2.502 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948246646 727986038 /nfs/dbraw/zinc/98/60/38/727986038.db2.gz ZHDQOWVUXJORDI-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948246646 727986042 /nfs/dbraw/zinc/98/60/42/727986042.db2.gz ZHDQOWVUXJORDI-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)ccc1OC ZINC000183210648 727991065 /nfs/dbraw/zinc/99/10/65/727991065.db2.gz MCKWEDIIHVVNBW-CQSZACIVSA-N 1 3 335.492 2.699 20 0 EFADHO C[C@H](CN[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000165312935 728029412 /nfs/dbraw/zinc/02/94/12/728029412.db2.gz BWXSUSPXQSMKOW-SBHAEUEKSA-N 1 3 345.531 2.597 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031976823 728170914 /nfs/dbraw/zinc/17/09/14/728170914.db2.gz SXKHORAWKPDCKP-OXQOHEQNSA-N 1 3 343.515 2.556 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976823 728170917 /nfs/dbraw/zinc/17/09/17/728170917.db2.gz SXKHORAWKPDCKP-OXQOHEQNSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000995187554 728224685 /nfs/dbraw/zinc/22/46/85/728224685.db2.gz SVZOSBGQIWYNMP-GOEBONIOSA-N 1 3 346.500 2.705 20 0 EFADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000158224984 728324098 /nfs/dbraw/zinc/32/40/98/728324098.db2.gz GOSIHTWNDRWFGT-IRXDYDNUSA-N 1 3 342.487 2.932 20 0 EFADHO COc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000158224984 728324100 /nfs/dbraw/zinc/32/41/00/728324100.db2.gz GOSIHTWNDRWFGT-IRXDYDNUSA-N 1 3 342.487 2.932 20 0 EFADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000158225106 728324157 /nfs/dbraw/zinc/32/41/57/728324157.db2.gz GOSIHTWNDRWFGT-SJORKVTESA-N 1 3 342.487 2.932 20 0 EFADHO COc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000158225106 728324160 /nfs/dbraw/zinc/32/41/60/728324160.db2.gz GOSIHTWNDRWFGT-SJORKVTESA-N 1 3 342.487 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031916885 728341768 /nfs/dbraw/zinc/34/17/68/728341768.db2.gz IIDUMWYRASQUSI-LJQANCHMSA-N 1 3 333.520 2.657 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031916885 728341771 /nfs/dbraw/zinc/34/17/71/728341771.db2.gz IIDUMWYRASQUSI-LJQANCHMSA-N 1 3 333.520 2.657 20 0 EFADHO C(CN1CCCC1)Sc1nnc(SCC[NH+]2CCCC2)s1 ZINC000060202145 728349339 /nfs/dbraw/zinc/34/93/39/728349339.db2.gz GWUCAYPOKLPSPT-UHFFFAOYSA-N 1 3 344.575 2.914 20 0 EFADHO C[C@H](F)CCN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918695 728358278 /nfs/dbraw/zinc/35/82/78/728358278.db2.gz SITKTAVBCDKCEF-MAUKXSAKSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](F)CCN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918695 728358281 /nfs/dbraw/zinc/35/82/81/728358281.db2.gz SITKTAVBCDKCEF-MAUKXSAKSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259983 728386549 /nfs/dbraw/zinc/38/65/49/728386549.db2.gz VATZLMZJMYYEEX-WBVHZDCISA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259982 728386562 /nfs/dbraw/zinc/38/65/62/728386562.db2.gz VATZLMZJMYYEEX-RDJZCZTQSA-N 1 3 347.528 2.703 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)C2)CC1 ZINC001040952942 728388578 /nfs/dbraw/zinc/38/85/78/728388578.db2.gz GJYOJQGLZWPJAI-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)C2)CC1 ZINC001040952941 728388684 /nfs/dbraw/zinc/38/86/84/728388684.db2.gz GJYOJQGLZWPJAI-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1C ZINC001031925232 728399563 /nfs/dbraw/zinc/39/95/63/728399563.db2.gz BTOJHXPYOABGGC-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1C ZINC001031925232 728399566 /nfs/dbraw/zinc/39/95/66/728399566.db2.gz BTOJHXPYOABGGC-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)C2)c1 ZINC000995228182 728406504 /nfs/dbraw/zinc/40/65/04/728406504.db2.gz HLQROMHVNUOZOO-LPHOPBHVSA-N 1 3 329.488 2.646 20 0 EFADHO O=C(NC1CN(CC2CCC3(CC3)CC2)C1)c1ccn2c[nH+]cc2c1 ZINC001030618671 728529431 /nfs/dbraw/zinc/52/94/31/728529431.db2.gz QPLDMOZDDQALQP-UHFFFAOYSA-N 1 3 338.455 2.719 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948829647 728530463 /nfs/dbraw/zinc/53/04/63/728530463.db2.gz SDCSLPXIFHVNEP-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948829647 728530466 /nfs/dbraw/zinc/53/04/66/728530466.db2.gz SDCSLPXIFHVNEP-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO C[C@@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000229841790 728538663 /nfs/dbraw/zinc/53/86/63/728538663.db2.gz QZGMPYMABJBTDX-FHERZECASA-N 1 3 325.497 2.754 20 0 EFADHO CC1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC000948886373 728630506 /nfs/dbraw/zinc/63/05/06/728630506.db2.gz MACNNRFNBLUORC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000948886373 728630508 /nfs/dbraw/zinc/63/05/08/728630508.db2.gz MACNNRFNBLUORC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040848438 729090444 /nfs/dbraw/zinc/09/04/44/729090444.db2.gz IPHBKHZONYYKJQ-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040850074 729102417 /nfs/dbraw/zinc/10/24/17/729102417.db2.gz WUCXDPYYICCWRR-ICFOYXHFSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2 ZINC001040850074 729102419 /nfs/dbraw/zinc/10/24/19/729102419.db2.gz WUCXDPYYICCWRR-ICFOYXHFSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CC1CCC1 ZINC000939807493 729131101 /nfs/dbraw/zinc/13/11/01/729131101.db2.gz ZARBLTSHRGMIDQ-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCCC1 ZINC000920741809 729221846 /nfs/dbraw/zinc/22/18/46/729221846.db2.gz UGJVSIPHBLZBLX-QGZVFWFLSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)[NH+]1CCCCC1 ZINC000920741808 729221897 /nfs/dbraw/zinc/22/18/97/729221897.db2.gz UGJVSIPHBLZBLX-KRWDZBQOSA-N 1 3 329.488 2.887 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC001031684577 729258372 /nfs/dbraw/zinc/25/83/72/729258372.db2.gz SDLKICQIRLUVOT-AYOQOUSVSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC001031684577 729258373 /nfs/dbraw/zinc/25/83/73/729258373.db2.gz SDLKICQIRLUVOT-AYOQOUSVSA-N 1 3 329.488 2.526 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031714530 729499021 /nfs/dbraw/zinc/49/90/21/729499021.db2.gz KNKLNINIVFQMOJ-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031729258 729560705 /nfs/dbraw/zinc/56/07/05/729560705.db2.gz IOTYXGWTKVWIFW-YLJYHZDGSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031729258 729560709 /nfs/dbraw/zinc/56/07/09/729560709.db2.gz IOTYXGWTKVWIFW-YLJYHZDGSA-N 1 3 343.515 2.774 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765121 729772344 /nfs/dbraw/zinc/77/23/44/729772344.db2.gz AXBCRRJLMKCWIG-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031765121 729772345 /nfs/dbraw/zinc/77/23/45/729772345.db2.gz AXBCRRJLMKCWIG-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000069160311 729776529 /nfs/dbraw/zinc/77/65/29/729776529.db2.gz ZFXPENHYKAKLCA-KRWDZBQOSA-N 1 3 348.487 2.677 20 0 EFADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCc1ccccc1Cl ZINC000939064263 729780692 /nfs/dbraw/zinc/78/06/92/729780692.db2.gz TULWJOPSDOYBAE-KSSFIOAISA-N 1 3 349.906 2.618 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001569683378 1085514891 /nfs/dbraw/zinc/51/48/91/1085514891.db2.gz IPRSDXHOPYBKPV-PZJWPPBQSA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001570000495 1085841397 /nfs/dbraw/zinc/84/13/97/1085841397.db2.gz OIEBBNYCYBYXDV-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCCCCF)CC1)N(C)C ZINC001570374963 1086179313 /nfs/dbraw/zinc/17/93/13/1086179313.db2.gz GAZCRNJTCPQQMG-INIZCTEOSA-N 1 3 329.504 2.683 20 0 EFADHO C(c1nc2c(s1)CNCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001574794692 1088100559 /nfs/dbraw/zinc/10/05/59/1088100559.db2.gz IEBLBVLGLJKVSO-UHFFFAOYSA-N 1 3 348.560 2.877 20 0 EFADHO C(c1nc2c(s1)CNCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001574794692 1088100563 /nfs/dbraw/zinc/10/05/63/1088100563.db2.gz IEBLBVLGLJKVSO-UHFFFAOYSA-N 1 3 348.560 2.877 20 0 EFADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CC1(N)CCOCC1 ZINC001574979598 1088182335 /nfs/dbraw/zinc/18/23/35/1088182335.db2.gz JWATUMIOKDULPM-RAXLEYEMSA-N 1 3 326.387 2.789 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001646739852 1088195714 /nfs/dbraw/zinc/19/57/14/1088195714.db2.gz ILXYTCOLLGGXHB-DOMZBBRYSA-N 1 3 341.883 2.982 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001646741967 1088201384 /nfs/dbraw/zinc/20/13/84/1088201384.db2.gz JPMHHXVMMBOVSJ-VQIMIIECSA-N 1 3 347.503 2.541 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC001646746108 1088205965 /nfs/dbraw/zinc/20/59/65/1088205965.db2.gz JVROEKFBORUXGR-RTBURBONSA-N 1 3 325.456 2.829 20 0 EFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC001575124879 1088254090 /nfs/dbraw/zinc/25/40/90/1088254090.db2.gz GUXWVHOUMHMWNY-IRXDYDNUSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H](CNC1(C[NH3+])CCCC1)CC(F)(F)F ZINC001575208075 1088308268 /nfs/dbraw/zinc/30/82/68/1088308268.db2.gz AYIUJTLUDVEMCH-LLVKDONJSA-N 1 3 339.402 2.693 20 0 EFADHO CC(C)(C)OC(=O)N[C@H](CN[C@@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC001575208259 1088310412 /nfs/dbraw/zinc/31/04/12/1088310412.db2.gz GCDJVCFCBRHEGJ-OLZOCXBDSA-N 1 3 347.450 2.799 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCCNC1CC1 ZINC001575218508 1088314027 /nfs/dbraw/zinc/31/40/27/1088314027.db2.gz LURWDANOYVEGMQ-ZBFHGGJFSA-N 1 3 325.497 2.802 20 0 EFADHO CC(C)(C)OC(=O)NCc1ccc(CNCC2(C[NH3+])CCC2)cc1 ZINC001575230323 1088320487 /nfs/dbraw/zinc/32/04/87/1088320487.db2.gz CCGJMRVXWXZYSY-UHFFFAOYSA-N 1 3 333.476 2.930 20 0 EFADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@H](N)Cc1ccccc1 ZINC001575334715 1088397595 /nfs/dbraw/zinc/39/75/95/1088397595.db2.gz PGMOWLSOEGITGG-INIZCTEOSA-N 1 3 335.492 2.839 20 0 EFADHO CC(C)(C)OC(=O)NC(C)(C)CNCC[C@H]([NH3+])Cc1ccccc1 ZINC001575334715 1088397610 /nfs/dbraw/zinc/39/76/10/1088397610.db2.gz PGMOWLSOEGITGG-INIZCTEOSA-N 1 3 335.492 2.839 20 0 EFADHO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001575379831 1088424428 /nfs/dbraw/zinc/42/44/28/1088424428.db2.gz LYMKAYZMTHPINH-QGZVFWFLSA-N 1 3 347.503 2.518 20 0 EFADHO CC(C)(NCc1ccc2c(c1)C[NH2+]CC2)C(=O)NCC1CCCC1 ZINC001575377716 1088424730 /nfs/dbraw/zinc/42/47/30/1088424730.db2.gz FEGBZBUJHHZLLC-UHFFFAOYSA-N 1 3 329.488 2.507 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C12CCC(CC1)[NH2+]2 ZINC001575421967 1088458988 /nfs/dbraw/zinc/45/89/88/1088458988.db2.gz DKCWFGJDOLISCZ-QPIRBTGLSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1=CCC[NH2+]CC1 ZINC001575423177 1088459560 /nfs/dbraw/zinc/45/95/60/1088459560.db2.gz QQBXOFCCXXPLTM-IBGZPJMESA-N 1 3 329.488 2.569 20 0 EFADHO CC(C)[C@H](CN[C@H]1CC[NH2+]CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC001575435755 1088470351 /nfs/dbraw/zinc/47/03/51/1088470351.db2.gz WZBCNUDKQLRXKM-GJZGRUSLSA-N 1 3 343.512 2.835 20 0 EFADHO CC(C)C[C@@H](NCc1cccc(C[NH3+])c1)C(=O)Nc1nccs1 ZINC001575549388 1088547716 /nfs/dbraw/zinc/54/77/16/1088547716.db2.gz MCVHJNBYWFYLMQ-OAHLLOKOSA-N 1 3 332.473 2.745 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCC2)N(C)C)cc1 ZINC001575648504 1088610212 /nfs/dbraw/zinc/61/02/12/1088610212.db2.gz MYDLVBSOWPXWQA-GOSISDBHSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)NC(=O)Nc1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC001575709535 1088643342 /nfs/dbraw/zinc/64/33/42/1088643342.db2.gz NCBFNVQVYYNNNO-UHFFFAOYSA-N 1 3 326.444 2.965 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC001575730223 1088649419 /nfs/dbraw/zinc/64/94/19/1088649419.db2.gz BTHMWJBHNGVUMJ-GOSISDBHSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCONC(=O)OC(C)(C)C ZINC001575934414 1088784570 /nfs/dbraw/zinc/78/45/70/1088784570.db2.gz PRWXOMCRWXFMRH-GJZGRUSLSA-N 1 3 329.485 2.733 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576117192 1088945148 /nfs/dbraw/zinc/94/51/48/1088945148.db2.gz JKJWHYXXYXUECZ-LPHOPBHVSA-N 1 3 329.488 2.872 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001576215217 1089012280 /nfs/dbraw/zinc/01/22/80/1089012280.db2.gz DRSFWZAXJMNFBI-LSDHHAIUSA-N 1 3 325.497 2.611 20 0 EFADHO CC1(C)C[NH2+][C@@H]1C1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001576469622 1089276313 /nfs/dbraw/zinc/27/63/13/1089276313.db2.gz QNZHDJGZCTVLTJ-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CC1(C)[NH2+][C@H](CCC(=O)N(CCN2CCCC2)c2ccccc2)CO1 ZINC001576489361 1089292365 /nfs/dbraw/zinc/29/23/65/1089292365.db2.gz NBTQEBFDAILWIC-QGZVFWFLSA-N 1 3 345.487 2.620 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H](C[NH3+])Cc2cc(F)ccc21)N1[C@H](C)CC[C@@H]1C ZINC001576651395 1089378528 /nfs/dbraw/zinc/37/85/28/1089378528.db2.gz YZLKGXCLCUGRGG-LJISPDSOSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@H]1NCc2ccccc21 ZINC001576669324 1089387202 /nfs/dbraw/zinc/38/72/02/1089387202.db2.gz PYFOVJVKWQPMNA-HHXXYDBFSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001576669895 1089387503 /nfs/dbraw/zinc/38/75/03/1089387503.db2.gz BSKODXREKPTVIB-YYAJDYIMSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001576671297 1089388709 /nfs/dbraw/zinc/38/87/09/1089388709.db2.gz XFMAPJROIDVUJF-VKJFTORMSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CNCC1(C)C ZINC001576723014 1089418326 /nfs/dbraw/zinc/41/83/26/1089418326.db2.gz DGPWQCDHXVKLJG-ILXRZTDVSA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]CCCNC1CC1 ZINC001576724808 1089421555 /nfs/dbraw/zinc/42/15/55/1089421555.db2.gz QIWYJHCEJRIPTD-FMKPAKJESA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NCCC[NH2+]C1CC1 ZINC001576724808 1089421564 /nfs/dbraw/zinc/42/15/64/1089421564.db2.gz QIWYJHCEJRIPTD-FMKPAKJESA-N 1 3 325.497 2.752 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c2ccccc2)CC1 ZINC001576729645 1089423569 /nfs/dbraw/zinc/42/35/69/1089423569.db2.gz UIPUIZVSSXFWEZ-OALUTQOASA-N 1 3 343.515 2.964 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC001576729496 1089423832 /nfs/dbraw/zinc/42/38/32/1089423832.db2.gz PLFSFSQRVLYOKA-OTWHNJEPSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001576800249 1089467263 /nfs/dbraw/zinc/46/72/63/1089467263.db2.gz GWEXHDWCWUKXBS-AKBNIOSXSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1N ZINC001576800249 1089467266 /nfs/dbraw/zinc/46/72/66/1089467266.db2.gz GWEXHDWCWUKXBS-AKBNIOSXSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1N ZINC001576800249 1089467269 /nfs/dbraw/zinc/46/72/69/1089467269.db2.gz GWEXHDWCWUKXBS-AKBNIOSXSA-N 1 3 337.508 2.834 20 0 EFADHO CNc1ccccc1C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001647545927 1089524813 /nfs/dbraw/zinc/52/48/13/1089524813.db2.gz QKUMOHAUXWDFQZ-UHFFFAOYSA-N 1 3 338.499 2.766 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001576971951 1089554404 /nfs/dbraw/zinc/55/44/04/1089554404.db2.gz SNLKLRKJFCIHQX-UHOSZYNNSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001576971951 1089554440 /nfs/dbraw/zinc/55/44/40/1089554440.db2.gz SNLKLRKJFCIHQX-UHOSZYNNSA-N 1 3 331.504 2.525 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001647616536 1089629291 /nfs/dbraw/zinc/62/92/91/1089629291.db2.gz LJWRCTQFPYRELE-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CC[C@H](Cn1c([C@@H]2CCCN2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001577103933 1089659122 /nfs/dbraw/zinc/65/91/22/1089659122.db2.gz FGFWWIFDVIIULO-WBVHZDCISA-N 1 3 346.523 2.566 20 0 EFADHO CCC(N)(CC)C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001577109651 1089664151 /nfs/dbraw/zinc/66/41/51/1089664151.db2.gz TWBKHNFQAUNFMP-LLVKDONJSA-N 1 3 341.418 2.939 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001577495389 1090008402 /nfs/dbraw/zinc/00/84/02/1090008402.db2.gz IFABHSQQYKUSAF-SJLPKXTDSA-N 1 3 337.895 2.839 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N[C@H]1C[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC001577495659 1090011338 /nfs/dbraw/zinc/01/13/38/1090011338.db2.gz VABRCUSZDVHYOY-JYJNAYRXSA-N 1 3 338.883 2.512 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC001577876037 1090203210 /nfs/dbraw/zinc/20/32/10/1090203210.db2.gz HAHYNUYGPSVTHD-SFHVURJKSA-N 1 3 330.476 2.935 20 0 EFADHO CCOC(=O)[C@](C)(CN[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC001577905146 1090210778 /nfs/dbraw/zinc/21/07/78/1090210778.db2.gz HVDBVSBXXJZLMD-YLJYHZDGSA-N 1 3 332.488 2.875 20 0 EFADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC001577929172 1090216444 /nfs/dbraw/zinc/21/64/44/1090216444.db2.gz YHRQLGLKUALWIG-ICSRJNTNSA-N 1 3 330.472 2.626 20 0 EFADHO CN(C)C[C@H](NC(=O)CC(C)(C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC001578412100 1090366504 /nfs/dbraw/zinc/36/65/04/1090366504.db2.gz DEZGYNNWBDWODW-AWEZNQCLSA-N 1 3 345.409 2.799 20 0 EFADHO C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CNCc2ccccc21 ZINC001578418950 1090367272 /nfs/dbraw/zinc/36/72/72/1090367272.db2.gz RVABHOOEUNWHFU-GOSISDBHSA-N 1 3 343.496 2.525 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2[C@@H]3C[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC001578420952 1090367925 /nfs/dbraw/zinc/36/79/25/1090367925.db2.gz ICNNGOOHTLCJQD-GUTXKFCHSA-N 1 3 341.377 2.561 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001578469754 1090380507 /nfs/dbraw/zinc/38/05/07/1090380507.db2.gz CDWMLMAMRMZOSC-UHFFFAOYSA-N 1 3 345.487 2.505 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)OCCNC2 ZINC001578469754 1090380512 /nfs/dbraw/zinc/38/05/12/1090380512.db2.gz CDWMLMAMRMZOSC-UHFFFAOYSA-N 1 3 345.487 2.505 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001578483144 1090383305 /nfs/dbraw/zinc/38/33/05/1090383305.db2.gz RWJBSGJHDKBOEX-SBHAEUEKSA-N 1 3 341.499 2.642 20 0 EFADHO C[NH2+]C[C@@H]1CCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578664151 1090416070 /nfs/dbraw/zinc/41/60/70/1090416070.db2.gz OZMCYRFMJJMTGL-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)nc1 ZINC001578863825 1090457953 /nfs/dbraw/zinc/45/79/53/1090457953.db2.gz JFIHLBXGGPBCMJ-BEFAXECRSA-N 1 3 345.487 2.988 20 0 EFADHO COc1cc(Br)c(CN[C@H]2CC[C@H](C[NH3+])CC2)cc1O ZINC001579138576 1090523533 /nfs/dbraw/zinc/52/35/33/1090523533.db2.gz LKNKJSNYNQKCON-UMSPYCQHSA-N 1 3 343.265 2.770 20 0 EFADHO COc1cc(CNCc2ccc(CN3CC[NH2+]CC3)cc2)ccc1C ZINC001579153666 1090528786 /nfs/dbraw/zinc/52/87/86/1090528786.db2.gz IXDLXRSTADYUCL-UHFFFAOYSA-N 1 3 339.483 2.699 20 0 EFADHO COc1cc(N[C@@H]2CCCN(CC3(C[NH3+])CCC3)C2)cc(OC)c1 ZINC001579166226 1090533710 /nfs/dbraw/zinc/53/37/10/1090533710.db2.gz DLIWYEGGRSJLLG-OAHLLOKOSA-N 1 3 333.476 2.709 20 0 EFADHO CSc1ccc(OC[C@H](O)CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC001579393409 1090604372 /nfs/dbraw/zinc/60/43/72/1090604372.db2.gz SXGAZHAOGHEPFO-CRAIPNDOSA-N 1 3 338.517 2.645 20 0 EFADHO C[C@H]1CN(C[C@H]2CC[C@H](C[NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001579489495 1090621755 /nfs/dbraw/zinc/62/17/55/1090621755.db2.gz IBMZWKDZQYCGON-JYJNAYRXSA-N 1 3 325.497 2.693 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)c(CN(C)C)c1 ZINC001579715103 1090669463 /nfs/dbraw/zinc/66/94/63/1090669463.db2.gz GDSCWPCZUSYYCS-AYOQOUSVSA-N 1 3 345.487 2.542 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001579761028 1090681125 /nfs/dbraw/zinc/68/11/25/1090681125.db2.gz VBTFRNDEMJTFPG-RLLQIKCJSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC001579883326 1090713499 /nfs/dbraw/zinc/71/34/99/1090713499.db2.gz PIJWAGWMCBEPOV-VQTJNVASSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1nccn1CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC001579883326 1090713501 /nfs/dbraw/zinc/71/35/01/1090713501.db2.gz PIJWAGWMCBEPOV-VQTJNVASSA-N 1 3 326.488 2.864 20 0 EFADHO Fc1ccc(OC(F)F)c(CNC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC001580029795 1090746271 /nfs/dbraw/zinc/74/62/71/1090746271.db2.gz BMXHDSMFPGJXRY-AWEZNQCLSA-N 1 3 344.377 2.675 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](NCc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001580176710 1090801388 /nfs/dbraw/zinc/80/13/88/1090801388.db2.gz QUZHOFFSOZBVCE-JKSUJKDBSA-N 1 3 348.878 2.975 20 0 EFADHO [NH3+][C@H]1CCC[C@H](NCc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001580176708 1090801598 /nfs/dbraw/zinc/80/15/98/1090801598.db2.gz QUZHOFFSOZBVCE-HOTGVXAUSA-N 1 3 348.878 2.975 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC1 ZINC001580215829 1090814597 /nfs/dbraw/zinc/81/45/97/1090814597.db2.gz PCIOWFIUBKRCFC-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCC1 ZINC001580215829 1090814604 /nfs/dbraw/zinc/81/46/04/1090814604.db2.gz PCIOWFIUBKRCFC-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC001580247849 1090830245 /nfs/dbraw/zinc/83/02/45/1090830245.db2.gz RCQDUBVPKBHIPB-XMMPIXPASA-N 1 3 342.508 2.787 20 0 EFADHO [NH3+]C[C@@H]1CC2(CO1)CCN(Cc1ccccc1OCC(F)F)CC2 ZINC001580257562 1090837205 /nfs/dbraw/zinc/83/72/05/1090837205.db2.gz RWJSFCULOSEYIC-HNNXBMFYSA-N 1 3 340.414 2.660 20 0 EFADHO [NH3+]CC[C@H]1CCCN(Cc2c(Cl)cccc2N2CCOCC2)C1 ZINC001580287494 1090849760 /nfs/dbraw/zinc/84/97/60/1090849760.db2.gz VVZMNEUHAVHFMT-OAHLLOKOSA-N 1 3 337.895 2.737 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC001580661957 1090979343 /nfs/dbraw/zinc/97/93/43/1090979343.db2.gz WOZJWSAHZPGUKL-LULLPPNCSA-N 1 3 333.520 2.820 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580770199 1091003531 /nfs/dbraw/zinc/00/35/31/1091003531.db2.gz NSSSZCYQAGYGPV-SFHVURJKSA-N 1 3 343.471 2.904 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001580770199 1091003537 /nfs/dbraw/zinc/00/35/37/1091003537.db2.gz NSSSZCYQAGYGPV-SFHVURJKSA-N 1 3 343.471 2.904 20 0 EFADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CC[C@H]2CCCCN21 ZINC001580793159 1091010625 /nfs/dbraw/zinc/01/06/25/1091010625.db2.gz BSRZASDTYHLQQM-HIFRSBDPSA-N 1 3 334.489 2.566 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001580821493 1091020179 /nfs/dbraw/zinc/02/01/79/1091020179.db2.gz XADSSUMACOHYEH-VQTJNVASSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001580820485 1091020552 /nfs/dbraw/zinc/02/05/52/1091020552.db2.gz AXCPZAYKUTXUHV-FQEVSTJZSA-N 1 3 327.472 2.641 20 0 EFADHO OCC1([C@H](NCc2ccc3c(c2)C[NH2+]CC3)c2ccncc2)CCC1 ZINC001580881201 1091033622 /nfs/dbraw/zinc/03/36/22/1091033622.db2.gz CJUCXVZNLKOVQW-HXUWFJFHSA-N 1 3 337.467 2.721 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCCc3ccc(F)cc32)C1 ZINC001480913146 1092388061 /nfs/dbraw/zinc/38/80/61/1092388061.db2.gz JYTVVNOJKCHCPV-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCCc3ccc(F)cc32)C1 ZINC001480913146 1092388076 /nfs/dbraw/zinc/38/80/76/1092388076.db2.gz JYTVVNOJKCHCPV-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC001649801343 1092691969 /nfs/dbraw/zinc/69/19/69/1092691969.db2.gz DUONEGBTZCCJPX-NQYYFHDYSA-N 1 3 346.519 2.850 20 0 EFADHO C[NH2+][C@H](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001649836823 1092726992 /nfs/dbraw/zinc/72/69/92/1092726992.db2.gz LPJHCRSDDIECBQ-SJLPKXTDSA-N 1 3 332.492 2.511 20 0 EFADHO CCN(C(=O)[C@@H](C)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001649850135 1092738492 /nfs/dbraw/zinc/73/84/92/1092738492.db2.gz SANUVOYKTJQBGX-QGZVFWFLSA-N 1 3 329.488 2.894 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448493 1092764433 /nfs/dbraw/zinc/76/44/33/1092764433.db2.gz ZKSLNNYLCSWSBC-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448493 1092764438 /nfs/dbraw/zinc/76/44/38/1092764438.db2.gz ZKSLNNYLCSWSBC-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001480921034 1093006251 /nfs/dbraw/zinc/00/62/51/1093006251.db2.gz FQBFKAJKUOAVDZ-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001480921512 1093028487 /nfs/dbraw/zinc/02/84/87/1093028487.db2.gz PBWDBUUJLUJBIK-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CN1CC[C@@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230156 1093046935 /nfs/dbraw/zinc/04/69/35/1093046935.db2.gz YXHBPULSXMVJKB-NHYWBVRUSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@@H+]1CC[C@@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230156 1093046942 /nfs/dbraw/zinc/04/69/42/1093046942.db2.gz YXHBPULSXMVJKB-NHYWBVRUSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@H+]1CC[C@@H](CNc2ccnc(N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001650230156 1093046944 /nfs/dbraw/zinc/04/69/44/1093046944.db2.gz YXHBPULSXMVJKB-NHYWBVRUSA-N 1 3 335.814 2.956 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001167626449 1093145890 /nfs/dbraw/zinc/14/58/90/1093145890.db2.gz BBBWYJLOCNMCIW-LJQANCHMSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001167635756 1093168940 /nfs/dbraw/zinc/16/89/40/1093168940.db2.gz PENMSOUXQZUOPU-KRWDZBQOSA-N 1 3 337.533 2.649 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458556 1093230465 /nfs/dbraw/zinc/23/04/65/1093230465.db2.gz JYQSFWYCIVSNSV-MRXNPFEDSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458556 1093230475 /nfs/dbraw/zinc/23/04/75/1093230475.db2.gz JYQSFWYCIVSNSV-MRXNPFEDSA-N 1 3 332.492 2.701 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458661 1093230913 /nfs/dbraw/zinc/23/09/13/1093230913.db2.gz MNRMNUIESQYYND-INIZCTEOSA-N 1 3 332.492 2.703 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458661 1093230917 /nfs/dbraw/zinc/23/09/17/1093230917.db2.gz MNRMNUIESQYYND-INIZCTEOSA-N 1 3 332.492 2.703 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590688202 1093549900 /nfs/dbraw/zinc/54/99/00/1093549900.db2.gz XZSOLRILEFEHLH-KDOFPFPSSA-N 1 3 342.491 2.954 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590688202 1093549904 /nfs/dbraw/zinc/54/99/04/1093549904.db2.gz XZSOLRILEFEHLH-KDOFPFPSSA-N 1 3 342.491 2.954 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590688203 1093551256 /nfs/dbraw/zinc/55/12/56/1093551256.db2.gz XZSOLRILEFEHLH-KSSFIOAISA-N 1 3 342.491 2.954 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590688203 1093551261 /nfs/dbraw/zinc/55/12/61/1093551261.db2.gz XZSOLRILEFEHLH-KSSFIOAISA-N 1 3 342.491 2.954 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](C/C=C\c3ccccc3)C2)CCC1 ZINC001481096505 1094475168 /nfs/dbraw/zinc/47/51/68/1094475168.db2.gz VRPKVXUJBKGWLU-SMTIMMHKSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CCC1 ZINC001481096505 1094475173 /nfs/dbraw/zinc/47/51/73/1094475173.db2.gz VRPKVXUJBKGWLU-SMTIMMHKSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001149134261 1094575335 /nfs/dbraw/zinc/57/53/35/1094575335.db2.gz GWOLFEIECQNNEO-UHFFFAOYSA-N 1 3 334.508 2.819 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679941 1094588270 /nfs/dbraw/zinc/58/82/70/1094588270.db2.gz NEWFIQVMKXJKHW-GUDVDZBRSA-N 1 3 337.552 2.839 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676824 1094592780 /nfs/dbraw/zinc/59/27/80/1094592780.db2.gz ZNMUBPKCQFAYFR-DRDDEIGGSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001104680563 1094608848 /nfs/dbraw/zinc/60/88/48/1094608848.db2.gz SPWGCNYOBJTXBJ-YQVWRLOYSA-N 1 3 349.563 2.839 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681800 1094615589 /nfs/dbraw/zinc/61/55/89/1094615589.db2.gz POPDQDCTJKLHHV-GPMSIDNRSA-N 1 3 341.515 2.682 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]C/C=C/Cl ZINC001104683143 1094629803 /nfs/dbraw/zinc/62/98/03/1094629803.db2.gz GLLRAXBSBSMIBL-KEMBLGFASA-N 1 3 341.927 2.545 20 0 EFADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684076 1094631868 /nfs/dbraw/zinc/63/18/68/1094631868.db2.gz XCYBQWCDINIENH-RCCFBDPRSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1)N(C)C ZINC001104690211 1094642203 /nfs/dbraw/zinc/64/22/03/1094642203.db2.gz ANQOOPAXGDSEEZ-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC001481461865 1094701700 /nfs/dbraw/zinc/70/17/00/1094701700.db2.gz KBCUWSYDUUAGMG-SGNXQUTQSA-N 1 3 349.906 2.943 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](C/C=C\Cl)C2)c1 ZINC001481461865 1094701715 /nfs/dbraw/zinc/70/17/15/1094701715.db2.gz KBCUWSYDUUAGMG-SGNXQUTQSA-N 1 3 349.906 2.943 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529548 1094747797 /nfs/dbraw/zinc/74/77/97/1094747797.db2.gz FMRCWCNHQQSOAZ-HBFSDRIKSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCCCCC1 ZINC001104729193 1094763638 /nfs/dbraw/zinc/76/36/38/1094763638.db2.gz QMTMIJALZJYRSH-SJLPKXTDSA-N 1 3 346.519 2.997 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(Cl)c1 ZINC001493332628 1094999087 /nfs/dbraw/zinc/99/90/87/1094999087.db2.gz SGJWTYZNAVMXBW-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(Cl)c1 ZINC001493332628 1094999096 /nfs/dbraw/zinc/99/90/96/1094999096.db2.gz SGJWTYZNAVMXBW-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(Cl)c1 ZINC001493332629 1094999340 /nfs/dbraw/zinc/99/93/40/1094999340.db2.gz SGJWTYZNAVMXBW-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(Cl)c1 ZINC001493332629 1094999346 /nfs/dbraw/zinc/99/93/46/1094999346.db2.gz SGJWTYZNAVMXBW-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@H]2CCC[N@H+](CCF)[C@@H]21 ZINC001087295727 1095057716 /nfs/dbraw/zinc/05/77/16/1095057716.db2.gz NECTVHGTEQYNCX-ZACQAIPSSA-N 1 3 344.434 2.523 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@H]2CCC[N@@H+](CCF)[C@@H]21 ZINC001087295727 1095057731 /nfs/dbraw/zinc/05/77/31/1095057731.db2.gz NECTVHGTEQYNCX-ZACQAIPSSA-N 1 3 344.434 2.523 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001167814859 1095096665 /nfs/dbraw/zinc/09/66/65/1095096665.db2.gz HTYNSOGCRBXUMO-UHFFFAOYSA-N 1 3 349.494 2.874 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001167814802 1095097820 /nfs/dbraw/zinc/09/78/20/1095097820.db2.gz FFZFAYPSHQKAOK-KRWDZBQOSA-N 1 3 325.541 2.887 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CC(NCc2ccccc2F)C1 ZINC001100890390 1095099474 /nfs/dbraw/zinc/09/94/74/1095099474.db2.gz YKKGWFGGPXDRGK-UHFFFAOYSA-N 1 3 335.467 2.542 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001167826207 1095216287 /nfs/dbraw/zinc/21/62/87/1095216287.db2.gz MJADXKJJAASROR-ZRZPHAQCSA-N 1 3 347.503 2.871 20 0 EFADHO Cc1cc(Cl)ccc1CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481197256 1095263505 /nfs/dbraw/zinc/26/35/05/1095263505.db2.gz WHZJSMYLUSLHKS-MRXNPFEDSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cc(Cl)ccc1CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481197256 1095263515 /nfs/dbraw/zinc/26/35/15/1095263515.db2.gz WHZJSMYLUSLHKS-MRXNPFEDSA-N 1 3 349.906 2.681 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316510 1095290401 /nfs/dbraw/zinc/29/04/01/1095290401.db2.gz SQJQQNIWKWRWBT-JLSDUUJJSA-N 1 3 332.492 2.666 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316510 1095290407 /nfs/dbraw/zinc/29/04/07/1095290407.db2.gz SQJQQNIWKWRWBT-JLSDUUJJSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC3CC3)[C@H]2C1(C)C ZINC001087316829 1095302965 /nfs/dbraw/zinc/30/29/65/1095302965.db2.gz YCOQOEDKIVONIQ-ATZDWAIDSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC3CC3)[C@H]2C1(C)C ZINC001087316829 1095302979 /nfs/dbraw/zinc/30/29/79/1095302979.db2.gz YCOQOEDKIVONIQ-ATZDWAIDSA-N 1 3 344.503 2.666 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2csc(C)c2)CC1 ZINC001167835922 1095333205 /nfs/dbraw/zinc/33/32/05/1095333205.db2.gz KZNZTTSRHICAFU-UHFFFAOYSA-N 1 3 337.533 2.774 20 0 EFADHO c1cc(SC2CC[NH2+]CC2)ccc1NCCN1CCSCC1 ZINC001167839385 1095344863 /nfs/dbraw/zinc/34/48/63/1095344863.db2.gz MRHUCNOOTDDNAC-UHFFFAOYSA-N 1 3 337.558 2.991 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ncccc2OC)CC1 ZINC001167841710 1095374940 /nfs/dbraw/zinc/37/49/40/1095374940.db2.gz PCSGMTZUZKRAEY-QGZVFWFLSA-N 1 3 334.508 2.723 20 0 EFADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167844784 1095405125 /nfs/dbraw/zinc/40/51/25/1095405125.db2.gz NRLMNFOUDVSJLE-UHFFFAOYSA-N 1 3 347.503 2.621 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)CC1CCC(F)(F)CC1 ZINC001480980177 1095651361 /nfs/dbraw/zinc/65/13/61/1095651361.db2.gz CNVBEBVHSWBMJE-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)CC1CCC(F)(F)CC1 ZINC001480980177 1095651364 /nfs/dbraw/zinc/65/13/64/1095651364.db2.gz CNVBEBVHSWBMJE-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753683 1095681133 /nfs/dbraw/zinc/68/11/33/1095681133.db2.gz NTAMGEPPDJPTQK-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957601 1095771160 /nfs/dbraw/zinc/77/11/60/1095771160.db2.gz NGNNPERPGFOGPZ-VQIMIIECSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957601 1095771171 /nfs/dbraw/zinc/77/11/71/1095771171.db2.gz NGNNPERPGFOGPZ-VQIMIIECSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957102 1095779385 /nfs/dbraw/zinc/77/93/85/1095779385.db2.gz DFGPAHLCWFBRSD-LJQANCHMSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)CC[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957102 1095779395 /nfs/dbraw/zinc/77/93/95/1095779395.db2.gz DFGPAHLCWFBRSD-LJQANCHMSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981964108 1095848457 /nfs/dbraw/zinc/84/84/57/1095848457.db2.gz WRRDAQOIJKKOCV-KRWDZBQOSA-N 1 3 349.494 2.687 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c(C)s1 ZINC001481054803 1096186819 /nfs/dbraw/zinc/18/68/19/1096186819.db2.gz TYEFYSUXPPTUJE-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001211711471 1096252345 /nfs/dbraw/zinc/25/23/45/1096252345.db2.gz HXEMCPRYYNOMFZ-VQTJNVASSA-N 1 3 343.515 2.879 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729877 1096608627 /nfs/dbraw/zinc/60/86/27/1096608627.db2.gz LVMUHZYDFMGZKG-YSIASYRMSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001211732477 1096631723 /nfs/dbraw/zinc/63/17/23/1096631723.db2.gz JFCBGPFBVGAKCJ-NZSAHSFTSA-N 1 3 349.494 2.659 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001481897199 1096887713 /nfs/dbraw/zinc/88/77/13/1096887713.db2.gz RQZDDUIBAIDEJZ-DAWZGUTISA-N 1 3 335.536 2.924 20 0 EFADHO C[NH+](C)C1CCC([NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001604675659 1096928772 /nfs/dbraw/zinc/92/87/72/1096928772.db2.gz QKZIMVQKBVEHRU-HTWSVDAQSA-N 1 3 340.475 2.707 20 0 EFADHO C[NH+](C)C1CCC([NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001604675659 1096928777 /nfs/dbraw/zinc/92/87/77/1096928777.db2.gz QKZIMVQKBVEHRU-HTWSVDAQSA-N 1 3 340.475 2.707 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001482016102 1097090278 /nfs/dbraw/zinc/09/02/78/1097090278.db2.gz SQJSRVAMJOZEHV-SWNHNLRASA-N 1 3 327.900 2.629 20 0 EFADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001268556925 1097188195 /nfs/dbraw/zinc/18/81/95/1097188195.db2.gz PSXUDOOXALYOKC-YZBXUTEPSA-N 1 3 329.488 2.666 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482103448 1097263727 /nfs/dbraw/zinc/26/37/27/1097263727.db2.gz ZQKCPJDXRCPZSG-APWZRJJASA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482103452 1097264215 /nfs/dbraw/zinc/26/42/15/1097264215.db2.gz ZQKCPJDXRCPZSG-QFBILLFUSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cccc(Cl)c1 ZINC001482106613 1097267487 /nfs/dbraw/zinc/26/74/87/1097267487.db2.gz AZSSFRLBLSQDTQ-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001482107015 1097267757 /nfs/dbraw/zinc/26/77/57/1097267757.db2.gz FFSGLOJBZFKKFV-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001268589879 1097309839 /nfs/dbraw/zinc/30/98/39/1097309839.db2.gz ZLBBURJKAQNRIA-OYQYDDJWSA-N 1 3 343.515 2.912 20 0 EFADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001268589881 1097310519 /nfs/dbraw/zinc/31/05/19/1097310519.db2.gz ZLBBURJKAQNRIA-PXIXMTEYSA-N 1 3 343.515 2.912 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001482143045 1097393436 /nfs/dbraw/zinc/39/34/36/1097393436.db2.gz MTQSVPYKICKHTE-KRWDZBQOSA-N 1 3 333.520 2.815 20 0 EFADHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609122668 1098155358 /nfs/dbraw/zinc/15/53/58/1098155358.db2.gz LPVYWZOMQZBAQW-KDOFPFPSSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609122668 1098155360 /nfs/dbraw/zinc/15/53/60/1098155360.db2.gz LPVYWZOMQZBAQW-KDOFPFPSSA-N 1 3 336.443 2.998 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](Cc3ccccc3C)C2)CC1 ZINC001482245661 1098473191 /nfs/dbraw/zinc/47/31/91/1098473191.db2.gz MCLLCVSHQBJDBA-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001104812462 1098651225 /nfs/dbraw/zinc/65/12/25/1098651225.db2.gz PXBYVNYZHQNGLS-NVXWUHKLSA-N 1 3 337.533 2.664 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]C/C=C\Cl ZINC001104832698 1098711233 /nfs/dbraw/zinc/71/12/33/1098711233.db2.gz PAGVDFNATWPYQT-QGZWLABGSA-N 1 3 341.927 2.545 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1O ZINC001167961069 1098713346 /nfs/dbraw/zinc/71/33/46/1098713346.db2.gz FAYWVFNXCKALFV-AYHJJNSGSA-N 1 3 330.472 2.938 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1O ZINC001167961069 1098713356 /nfs/dbraw/zinc/71/33/56/1098713356.db2.gz FAYWVFNXCKALFV-AYHJJNSGSA-N 1 3 330.472 2.938 20 0 EFADHO CN1C(=O)CCC12CCC([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167961727 1098762982 /nfs/dbraw/zinc/76/29/82/1098762982.db2.gz ODOSDYRZIWFZHL-KXDGDBGWSA-N 1 3 345.531 2.915 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167751531 1098806611 /nfs/dbraw/zinc/80/66/11/1098806611.db2.gz JPVRTQDQXLDERV-SJLPKXTDSA-N 1 3 343.519 2.962 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167751531 1098806629 /nfs/dbraw/zinc/80/66/29/1098806629.db2.gz JPVRTQDQXLDERV-SJLPKXTDSA-N 1 3 343.519 2.962 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NCCC2(CNCC=C(Cl)Cl)CC2)C1 ZINC001167736551 1098889047 /nfs/dbraw/zinc/88/90/47/1098889047.db2.gz DRUFDWZKOOHWAL-CYBMUJFWSA-N 1 3 348.318 2.523 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NCCC2(CNCC=C(Cl)Cl)CC2)C1 ZINC001167736551 1098889062 /nfs/dbraw/zinc/88/90/62/1098889062.db2.gz DRUFDWZKOOHWAL-CYBMUJFWSA-N 1 3 348.318 2.523 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001104937530 1099085182 /nfs/dbraw/zinc/08/51/82/1099085182.db2.gz CSEXSJIOYPQBAU-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001482293448 1099158403 /nfs/dbraw/zinc/15/84/03/1099158403.db2.gz VVKMVEGLWFONNJ-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001211666689 1099368885 /nfs/dbraw/zinc/36/88/85/1099368885.db2.gz IQUARSOONLXTCC-IPMKNSEASA-N 1 3 349.494 2.516 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105063996 1099532837 /nfs/dbraw/zinc/53/28/37/1099532837.db2.gz QGBPCBSOAHMQOK-IAGOWNOFSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCC2)C1 ZINC001105067144 1099541977 /nfs/dbraw/zinc/54/19/77/1099541977.db2.gz OSUVMELVOBJBLR-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c(C)cccc1C ZINC001481386121 1099552334 /nfs/dbraw/zinc/55/23/34/1099552334.db2.gz RTOWIYJVHGCEIP-KDURUIRLSA-N 1 3 343.515 2.820 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c(C)cccc1C ZINC001481386121 1099552344 /nfs/dbraw/zinc/55/23/44/1099552344.db2.gz RTOWIYJVHGCEIP-KDURUIRLSA-N 1 3 343.515 2.820 20 0 EFADHO CC(=O)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167989316 1099696619 /nfs/dbraw/zinc/69/66/19/1099696619.db2.gz ZYVCFVDLUWKTES-YOFSQIOKSA-N 1 3 345.531 2.726 20 0 EFADHO CC(=O)N1CCC2(C1)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167989316 1099696626 /nfs/dbraw/zinc/69/66/26/1099696626.db2.gz ZYVCFVDLUWKTES-YOFSQIOKSA-N 1 3 345.531 2.726 20 0 EFADHO CC(=O)N1CCC2(C1)CC[NH+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)CC2 ZINC001167989316 1099696632 /nfs/dbraw/zinc/69/66/32/1099696632.db2.gz ZYVCFVDLUWKTES-YOFSQIOKSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C/Cl)C1)N(C)C ZINC001211674737 1099749024 /nfs/dbraw/zinc/74/90/24/1099749024.db2.gz IBQPBLCJYZKUDV-QLRBWSNQSA-N 1 3 349.906 2.663 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1 ZINC001211675522 1099770301 /nfs/dbraw/zinc/77/03/01/1099770301.db2.gz STTSUKOQRRQCOZ-OTWHNJEPSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001482355858 1099795371 /nfs/dbraw/zinc/79/53/71/1099795371.db2.gz JBJQQZFZUOEMHZ-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001075785037 1099853881 /nfs/dbraw/zinc/85/38/81/1099853881.db2.gz PEKJNPDALCWHQN-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001075785037 1099853886 /nfs/dbraw/zinc/85/38/86/1099853886.db2.gz PEKJNPDALCWHQN-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001203438003 1100024194 /nfs/dbraw/zinc/02/41/94/1100024194.db2.gz ZIESNSUWDLVTEF-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CC[NH+]1CCCC1 ZINC001270901393 1100184231 /nfs/dbraw/zinc/18/42/31/1100184231.db2.gz UDEUDZLWWYPEBA-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396685 1100587469 /nfs/dbraw/zinc/58/74/69/1100587469.db2.gz SHOWLNCVIYHGAY-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396685 1100587476 /nfs/dbraw/zinc/58/74/76/1100587476.db2.gz SHOWLNCVIYHGAY-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CC1 ZINC001087723065 1100700469 /nfs/dbraw/zinc/70/04/69/1100700469.db2.gz AWADWTDBXBPOHW-FCEWJHQRSA-N 1 3 339.499 2.578 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CC1 ZINC001087723065 1100700472 /nfs/dbraw/zinc/70/04/72/1100700472.db2.gz AWADWTDBXBPOHW-FCEWJHQRSA-N 1 3 339.499 2.578 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCC(F)(F)F ZINC001087749918 1100728073 /nfs/dbraw/zinc/72/80/73/1100728073.db2.gz HUOFZMWLVRVSIT-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC ZINC001087792183 1100775276 /nfs/dbraw/zinc/77/52/76/1100775276.db2.gz QXOXKLGMMLHCRG-RCCFBDPRSA-N 1 3 341.515 2.970 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087792183 1100775282 /nfs/dbraw/zinc/77/52/82/1100775282.db2.gz QXOXKLGMMLHCRG-RCCFBDPRSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccsc1 ZINC001087796897 1100780402 /nfs/dbraw/zinc/78/04/02/1100780402.db2.gz QFBOSIPHGUFGRN-HYVNUMGLSA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccsc1 ZINC001087796897 1100780410 /nfs/dbraw/zinc/78/04/10/1100780410.db2.gz QFBOSIPHGUFGRN-HYVNUMGLSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1COCCN1CCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025367 1100839166 /nfs/dbraw/zinc/83/91/66/1100839166.db2.gz JWHUGQQJDDEVEK-RCLSDMTESA-N 1 3 345.531 2.738 20 0 EFADHO C[C@@H]1COCCN1CCN[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025367 1100839174 /nfs/dbraw/zinc/83/91/74/1100839174.db2.gz JWHUGQQJDDEVEK-RCLSDMTESA-N 1 3 345.531 2.738 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966540 1101095222 /nfs/dbraw/zinc/09/52/22/1101095222.db2.gz ILDFNNVJTMBPLC-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966540 1101095228 /nfs/dbraw/zinc/09/52/28/1101095228.db2.gz ILDFNNVJTMBPLC-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC4CCCC4)CC[C@@H]3C2)CCC1 ZINC001087992790 1101166917 /nfs/dbraw/zinc/16/69/17/1101166917.db2.gz MPZDFWUTCFENGG-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)CCC1 ZINC001087992790 1101166924 /nfs/dbraw/zinc/16/69/24/1101166924.db2.gz MPZDFWUTCFENGG-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088002756 1101179338 /nfs/dbraw/zinc/17/93/38/1101179338.db2.gz RTUPPRPUWAOJPC-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088002756 1101179342 /nfs/dbraw/zinc/17/93/42/1101179342.db2.gz RTUPPRPUWAOJPC-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001642491213 1101217349 /nfs/dbraw/zinc/21/73/49/1101217349.db2.gz YICQGUSVXIBGIB-HOTGVXAUSA-N 1 3 338.455 2.736 20 0 EFADHO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)[C@@H](C)N3CCCC3)C2)C1 ZINC001271212708 1101286657 /nfs/dbraw/zinc/28/66/57/1101286657.db2.gz XCSDSPPRCYKRFI-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](C(=O)N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)N1CCCC1 ZINC001271212419 1101288799 /nfs/dbraw/zinc/28/87/99/1101288799.db2.gz RCLDGYFHSVVKGL-AHRSYUTCSA-N 1 3 344.503 2.550 20 0 EFADHO C[C@@H](C(=O)N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)N1CCCC1 ZINC001271212420 1101289033 /nfs/dbraw/zinc/28/90/33/1101289033.db2.gz RCLDGYFHSVVKGL-DBVUQKKJSA-N 1 3 344.503 2.550 20 0 EFADHO Cc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000066994703 1101479364 /nfs/dbraw/zinc/47/93/64/1101479364.db2.gz WWLREXUBAPFJMC-UHFFFAOYSA-N 1 3 331.485 2.638 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000067671778 1101552974 /nfs/dbraw/zinc/55/29/74/1101552974.db2.gz KFRWJHADBDFGOF-AWEZNQCLSA-N 1 3 345.409 2.701 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106263 1101554281 /nfs/dbraw/zinc/55/42/81/1101554281.db2.gz SJIAIVHWODIWJL-RLLQIKCJSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)C1 ZINC001088106263 1101554291 /nfs/dbraw/zinc/55/42/91/1101554291.db2.gz SJIAIVHWODIWJL-RLLQIKCJSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001088105988 1101559447 /nfs/dbraw/zinc/55/94/47/1101559447.db2.gz KCYRPFXGSQBGCZ-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001088105988 1101559458 /nfs/dbraw/zinc/55/94/58/1101559458.db2.gz KCYRPFXGSQBGCZ-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]3C2)C1 ZINC001088106627 1101559983 /nfs/dbraw/zinc/55/99/83/1101559983.db2.gz KBAMTMVYYLZDNA-KSZLIROESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]3C2)C1 ZINC001088106627 1101559989 /nfs/dbraw/zinc/55/99/89/1101559989.db2.gz KBAMTMVYYLZDNA-KSZLIROESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCC4)CC[C@@H]3C2)C1 ZINC001088106813 1101561138 /nfs/dbraw/zinc/56/11/38/1101561138.db2.gz SCUCSGCYKSACJX-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)CC[C@@H]3C2)C1 ZINC001088106813 1101561148 /nfs/dbraw/zinc/56/11/48/1101561148.db2.gz SCUCSGCYKSACJX-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106730 1101561754 /nfs/dbraw/zinc/56/17/54/1101561754.db2.gz OBLGEELTSLPYPZ-UHOSZYNNSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106730 1101561761 /nfs/dbraw/zinc/56/17/61/1101561761.db2.gz OBLGEELTSLPYPZ-UHOSZYNNSA-N 1 3 335.536 2.545 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCN2C)cs1 ZINC001087134719 1101610209 /nfs/dbraw/zinc/61/02/09/1101610209.db2.gz CSCZPDPDMMVZTM-JLSDUUJJSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001087135089 1101612571 /nfs/dbraw/zinc/61/25/71/1101612571.db2.gz QLJQDXXHSJEGAS-AYOQOUSVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129895 1101622546 /nfs/dbraw/zinc/62/25/46/1101622546.db2.gz LPHOGDIGPUYTOW-HSALFYBXSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129895 1101622554 /nfs/dbraw/zinc/62/25/54/1101622554.db2.gz LPHOGDIGPUYTOW-HSALFYBXSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088130149 1101625073 /nfs/dbraw/zinc/62/50/73/1101625073.db2.gz YLYZXBLOYXKKAM-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088130149 1101625081 /nfs/dbraw/zinc/62/50/81/1101625081.db2.gz YLYZXBLOYXKKAM-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1)N(C)C ZINC001104322500 1101727231 /nfs/dbraw/zinc/72/72/31/1101727231.db2.gz NVIIVHOZDRRKJZ-KURKYZTESA-N 1 3 343.531 2.787 20 0 EFADHO C[NH2+]Cc1cn(-c2nc(Cl)nc3c2CCNC3)c2ccc(C)cc12 ZINC001167121056 1101790602 /nfs/dbraw/zinc/79/06/02/1101790602.db2.gz DULXMOVZHDTSJW-UHFFFAOYSA-N 1 3 341.846 2.747 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001104347001 1101971078 /nfs/dbraw/zinc/97/10/78/1101971078.db2.gz PMJWVBTVQLWSKG-SZVBFZGTSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075366823 1101979059 /nfs/dbraw/zinc/97/90/59/1101979059.db2.gz JCYSTJXYAKUYKC-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001104348490 1101995712 /nfs/dbraw/zinc/99/57/12/1101995712.db2.gz HEUHSFNWWKOGRY-BRWVUGGUSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001167232672 1102098832 /nfs/dbraw/zinc/09/88/32/1102098832.db2.gz LWRARDHJRDXAEB-MRXNPFEDSA-N 1 3 335.536 2.641 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]Cc3ccccc3)CC2)C1 ZINC001167235838 1102112142 /nfs/dbraw/zinc/11/21/42/1102112142.db2.gz ANWSEPACSIFXAA-UHFFFAOYSA-N 1 3 343.515 2.795 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCC(F)(F)F)CC2)C1 ZINC001167240105 1102122305 /nfs/dbraw/zinc/12/23/05/1102122305.db2.gz AHAQZKNRQNSWLW-UHFFFAOYSA-N 1 3 349.441 2.547 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC001167250609 1102142425 /nfs/dbraw/zinc/14/24/25/1102142425.db2.gz DXKRQOYIJACRQY-WMZOPIPTSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001167258357 1102169736 /nfs/dbraw/zinc/16/97/36/1102169736.db2.gz ZWVWCCLWFSVEKS-SFHVURJKSA-N 1 3 331.504 2.711 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCc2cccs2)CC1)N(C)C ZINC001167261160 1102181339 /nfs/dbraw/zinc/18/13/39/1102181339.db2.gz XYEHMTSGEGJQOZ-INIZCTEOSA-N 1 3 337.533 2.507 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001104362644 1102213552 /nfs/dbraw/zinc/21/35/52/1102213552.db2.gz BBXUGJJWFKTAOI-UEDYQVLESA-N 1 3 329.916 2.543 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001167480554 1102297709 /nfs/dbraw/zinc/29/77/09/1102297709.db2.gz KVLNJQYKAJHNTB-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCc1cccc(C[NH2+]CC2(CCNC(=O)CN(CC)CC)CC2)c1 ZINC001167480377 1102299864 /nfs/dbraw/zinc/29/98/64/1102299864.db2.gz CDBDGCHHQCXKHY-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO COc1ncc(CN(C)CC2CC[NH+](C)CC2)cc1Br ZINC001140164448 1102334619 /nfs/dbraw/zinc/33/46/19/1102334619.db2.gz KOTMVBUFXQBNNM-UHFFFAOYSA-N 1 3 342.281 2.626 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+]C2CCSCC2)c1 ZINC000075944379 1102584973 /nfs/dbraw/zinc/58/49/73/1102584973.db2.gz ICSHDCAIIJOTTF-UHFFFAOYSA-N 1 3 338.517 2.629 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000076311529 1102689229 /nfs/dbraw/zinc/68/92/29/1102689229.db2.gz FZNFDTGXASFATR-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000076396793 1102731769 /nfs/dbraw/zinc/73/17/69/1102731769.db2.gz SOAQBRLPNJJRPF-AWEZNQCLSA-N 1 3 345.409 2.701 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000970800777 1102786717 /nfs/dbraw/zinc/78/67/17/1102786717.db2.gz UPEBNLNRKFDNTA-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001482531982 1102842029 /nfs/dbraw/zinc/84/20/29/1102842029.db2.gz CZESWNBCJYAZDI-GOSISDBHSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCc1ccc(CC[NH3+])cc1 ZINC000841033128 1102848419 /nfs/dbraw/zinc/84/84/19/1102848419.db2.gz LCGWYHIMEQNLLW-UHFFFAOYSA-N 1 3 335.455 2.675 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104290805 1102849096 /nfs/dbraw/zinc/84/90/96/1102849096.db2.gz DZFPPFGSJHFBPR-NXHRZFHOSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccsc1 ZINC001104292061 1102862420 /nfs/dbraw/zinc/86/24/20/1102862420.db2.gz ISMYUXGJFVDZAG-ZTFGCOKTSA-N 1 3 349.544 2.663 20 0 EFADHO CC(C)(C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1)N1CCCCC1 ZINC001088315092 1102869610 /nfs/dbraw/zinc/86/96/10/1102869610.db2.gz NYRLUOCRVJVRST-MRXNPFEDSA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294281 1102874835 /nfs/dbraw/zinc/87/48/35/1102874835.db2.gz HIACAJAIQAZDHT-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104294369 1102876985 /nfs/dbraw/zinc/87/69/85/1102876985.db2.gz LVLBXFXEZSQLSR-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001088327685 1102933932 /nfs/dbraw/zinc/93/39/32/1102933932.db2.gz UGPZECJHXXWPOI-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001088327876 1102935878 /nfs/dbraw/zinc/93/58/78/1102935878.db2.gz ZICNMQVEVAXAPC-FUHWJXTLSA-N 1 3 339.499 2.724 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001088327876 1102935884 /nfs/dbraw/zinc/93/58/84/1102935884.db2.gz ZICNMQVEVAXAPC-FUHWJXTLSA-N 1 3 339.499 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001088335052 1102989434 /nfs/dbraw/zinc/98/94/34/1102989434.db2.gz UXJMKEYQAFCVGZ-RTBURBONSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001088334927 1102989663 /nfs/dbraw/zinc/98/96/63/1102989663.db2.gz SIUPUXUKAXKGAY-VQTJNVASSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)NC(=O)C1(N(C)C)CCC1 ZINC001483234210 1103072100 /nfs/dbraw/zinc/07/21/00/1103072100.db2.gz MNYXKJLRUNSVQG-SUMWQHHRSA-N 1 3 349.906 2.906 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001409454338 1103083981 /nfs/dbraw/zinc/08/39/81/1103083981.db2.gz QXHVLNLZXJTLHU-DAWZGUTISA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001271932686 1103104554 /nfs/dbraw/zinc/10/45/54/1103104554.db2.gz YPMPXSLGVTWCMS-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001271932689 1103105008 /nfs/dbraw/zinc/10/50/08/1103105008.db2.gz YPMPXSLGVTWCMS-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001271938897 1103121073 /nfs/dbraw/zinc/12/10/73/1103121073.db2.gz CLGQHGRQZOQMPL-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001483263139 1103182894 /nfs/dbraw/zinc/18/28/94/1103182894.db2.gz QIXNHMOGDKRBJD-GDIGMMSISA-N 1 3 349.494 2.884 20 0 EFADHO CCC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381478 1103332091 /nfs/dbraw/zinc/33/20/91/1103332091.db2.gz FVDDPBWJTZLJGU-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CC[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381918 1103337986 /nfs/dbraw/zinc/33/79/86/1103337986.db2.gz PUJZDVFOUNCJND-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001088384001 1103352668 /nfs/dbraw/zinc/35/26/68/1103352668.db2.gz SIUPUXUKAXKGAY-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001088390543 1103380670 /nfs/dbraw/zinc/38/06/70/1103380670.db2.gz PRJMPYFWDVSIJT-GOSISDBHSA-N 1 3 340.471 2.822 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001088390502 1103380977 /nfs/dbraw/zinc/38/09/77/1103380977.db2.gz OPPAMYQZKDVRCO-QGZVFWFLSA-N 1 3 332.492 2.893 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001105423510 1103424412 /nfs/dbraw/zinc/42/44/12/1103424412.db2.gz YRQQKKGYRCKLHB-IRFCIJBXSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101443719 1103499555 /nfs/dbraw/zinc/49/95/55/1103499555.db2.gz PNWDNHJPJKQTIA-XLIONFOSSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@@]2(C)C1 ZINC001101443719 1103499564 /nfs/dbraw/zinc/49/95/64/1103499564.db2.gz PNWDNHJPJKQTIA-XLIONFOSSA-N 1 3 337.552 2.935 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCc3ccccc3F)C2)C1 ZINC001088424949 1103552969 /nfs/dbraw/zinc/55/29/69/1103552969.db2.gz JUXLQOVQXWHFJC-ROUUACIJSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@H](NCc3ccccc3F)C2)C1 ZINC001088424949 1103552974 /nfs/dbraw/zinc/55/29/74/1103552974.db2.gz JUXLQOVQXWHFJC-ROUUACIJSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088495039 1103971439 /nfs/dbraw/zinc/97/14/39/1103971439.db2.gz YFIWLUMUTUEILM-JLSDUUJJSA-N 1 3 349.906 2.822 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001088495039 1103971444 /nfs/dbraw/zinc/97/14/44/1103971444.db2.gz YFIWLUMUTUEILM-JLSDUUJJSA-N 1 3 349.906 2.822 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001100901852 1104033212 /nfs/dbraw/zinc/03/32/12/1104033212.db2.gz RDJUAJYKNLVIFM-QQFBHYJXSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001127081766 1104073123 /nfs/dbraw/zinc/07/31/23/1104073123.db2.gz BEADBZFPPCVLIP-GUYCJALGSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001127081766 1104073132 /nfs/dbraw/zinc/07/31/32/1104073132.db2.gz BEADBZFPPCVLIP-GUYCJALGSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001127081765 1104073164 /nfs/dbraw/zinc/07/31/64/1104073164.db2.gz BEADBZFPPCVLIP-DYVFJYSZSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001127081765 1104073175 /nfs/dbraw/zinc/07/31/75/1104073175.db2.gz BEADBZFPPCVLIP-DYVFJYSZSA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001483616651 1104084990 /nfs/dbraw/zinc/08/49/90/1104084990.db2.gz UANAMLQDKPWSFT-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cnc2n1CCC21CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168377323 1104102346 /nfs/dbraw/zinc/10/23/46/1104102346.db2.gz DUSXTWQLVPXDDL-UHFFFAOYSA-N 1 3 328.504 2.803 20 0 EFADHO Cc1cnc2n1CCC21CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168377323 1104102349 /nfs/dbraw/zinc/10/23/49/1104102349.db2.gz DUSXTWQLVPXDDL-UHFFFAOYSA-N 1 3 328.504 2.803 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100905053 1104106300 /nfs/dbraw/zinc/10/63/00/1104106300.db2.gz UEGFNVVBABDNLA-UHFFFAOYSA-N 1 3 335.536 2.783 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001483620944 1104196555 /nfs/dbraw/zinc/19/65/55/1104196555.db2.gz NOIJKVXHXOMQCA-YFKBFVAJSA-N 1 3 341.927 2.688 20 0 EFADHO O=C1N(CC2CC2)CCC12CCN(C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168395197 1104199333 /nfs/dbraw/zinc/19/93/33/1104199333.db2.gz PVUVGONNLVJEKI-UHFFFAOYSA-N 1 3 345.531 2.585 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@](C[NH2+]C(C)C)(c2ccccc2)C1 ZINC001105446101 1104203708 /nfs/dbraw/zinc/20/37/08/1104203708.db2.gz BNUKJAYVMQMGOA-PUZFROQSSA-N 1 3 331.504 2.543 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105448069 1104212854 /nfs/dbraw/zinc/21/28/54/1104212854.db2.gz WLYZNAYCCMDPQU-PUZFROQSSA-N 1 3 331.504 2.541 20 0 EFADHO CC(C)N1CCN(Cc2ccc(NC3(C)CC[NH2+]CC3)c(F)c2)CC1 ZINC001168189027 1104348499 /nfs/dbraw/zinc/34/84/99/1104348499.db2.gz JPNMNZNTDIUSJV-UHFFFAOYSA-N 1 3 348.510 2.906 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001409591904 1104385723 /nfs/dbraw/zinc/38/57/23/1104385723.db2.gz PIZGFUTVLBLJKC-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001409591904 1104385735 /nfs/dbraw/zinc/38/57/35/1104385735.db2.gz PIZGFUTVLBLJKC-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO CN(CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC001482602918 1104451574 /nfs/dbraw/zinc/45/15/74/1104451574.db2.gz LYFXMBYLOMEWHK-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001482602918 1104451579 /nfs/dbraw/zinc/45/15/79/1104451579.db2.gz LYFXMBYLOMEWHK-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@H]2C)c1 ZINC001088563651 1104556344 /nfs/dbraw/zinc/55/63/44/1104556344.db2.gz YIUAQHKZBNDMFP-HOJAQTOUSA-N 1 3 343.515 2.947 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)[C@H]2C)c1 ZINC001088563651 1104556349 /nfs/dbraw/zinc/55/63/49/1104556349.db2.gz YIUAQHKZBNDMFP-HOJAQTOUSA-N 1 3 343.515 2.947 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482622564 1104673080 /nfs/dbraw/zinc/67/30/80/1104673080.db2.gz NAWGWCRUVJERSU-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCc1ccc(C)cc1 ZINC001482652154 1104744953 /nfs/dbraw/zinc/74/49/53/1104744953.db2.gz RDDSQUPUXPSFGY-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCc1ccc(C)cc1 ZINC001482652154 1104744959 /nfs/dbraw/zinc/74/49/59/1104744959.db2.gz RDDSQUPUXPSFGY-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088605547 1104851847 /nfs/dbraw/zinc/85/18/47/1104851847.db2.gz VZYSVPFCPOLFEJ-NEWSRXKRSA-N 1 3 329.488 2.640 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088605547 1104851855 /nfs/dbraw/zinc/85/18/55/1104851855.db2.gz VZYSVPFCPOLFEJ-NEWSRXKRSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001482676984 1104861460 /nfs/dbraw/zinc/86/14/60/1104861460.db2.gz FQDCFNNMUAUCIJ-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001482676981 1104861992 /nfs/dbraw/zinc/86/19/92/1104861992.db2.gz FQDCFNNMUAUCIJ-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000160924033 1105007895 /nfs/dbraw/zinc/00/78/95/1105007895.db2.gz BIFBFBPSJRCMGI-ZBFHGGJFSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000160924033 1105007903 /nfs/dbraw/zinc/00/79/03/1105007903.db2.gz BIFBFBPSJRCMGI-ZBFHGGJFSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001482839471 1105078781 /nfs/dbraw/zinc/07/87/81/1105078781.db2.gz JWPOMNYBEKUNBF-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001482887663 1105137524 /nfs/dbraw/zinc/13/75/24/1105137524.db2.gz BVAWILZWHCLOJJ-SUMWQHHRSA-N 1 3 339.549 2.936 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001482890619 1105149118 /nfs/dbraw/zinc/14/91/18/1105149118.db2.gz MLYHXBWUROZMQM-YVEFUNNKSA-N 1 3 344.434 2.572 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001482930944 1105189988 /nfs/dbraw/zinc/18/99/88/1105189988.db2.gz JWAMTATXWXLUMT-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001030019288 1105212249 /nfs/dbraw/zinc/21/22/49/1105212249.db2.gz HKZANTRSLOZFNO-IHPCNDPISA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000261537289 1105232963 /nfs/dbraw/zinc/23/29/63/1105232963.db2.gz HVZVIVIEOUCGLA-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)CN1CC[C@H](C)C1 ZINC001482950509 1105247503 /nfs/dbraw/zinc/24/75/03/1105247503.db2.gz UPJFOLHJLQFYJT-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cnc(-c2ccccc2)s1 ZINC000083065259 1105247806 /nfs/dbraw/zinc/24/78/06/1105247806.db2.gz LRRGYEOSZGCJAZ-HNNXBMFYSA-N 1 3 343.500 2.699 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988958003 1105401548 /nfs/dbraw/zinc/40/15/48/1105401548.db2.gz HOAIZFWKWLKACZ-QFBILLFUSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988958303 1105402415 /nfs/dbraw/zinc/40/24/15/1105402415.db2.gz JHXKJJAACMUHIB-MJGOQNOKSA-N 1 3 343.515 2.867 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988963802 1105407231 /nfs/dbraw/zinc/40/72/31/1105407231.db2.gz YZVQYTXNIUXZPT-APWZRJJASA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000988964683 1105408285 /nfs/dbraw/zinc/40/82/85/1105408285.db2.gz DKDGBGCSEBLPQN-HKUYNNGSSA-N 1 3 343.515 2.867 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001030019461 1105505494 /nfs/dbraw/zinc/50/54/94/1105505494.db2.gz IJNHFDIOVFGZNQ-OWCLPIDISA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001030019525 1105569133 /nfs/dbraw/zinc/56/91/33/1105569133.db2.gz MTCLOHXRTTYQSS-YTQUADARSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897555093 1105712402 /nfs/dbraw/zinc/71/24/02/1105712402.db2.gz MSQFWWPISZANCI-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897555093 1105712405 /nfs/dbraw/zinc/71/24/05/1105712405.db2.gz MSQFWWPISZANCI-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCF)CCC1)C1CCC1 ZINC001105541447 1105898468 /nfs/dbraw/zinc/89/84/68/1105898468.db2.gz AGEXFQBZWIUXHM-QGZVFWFLSA-N 1 3 339.499 2.581 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCF)CCC1 ZINC001105563220 1105942290 /nfs/dbraw/zinc/94/22/90/1105942290.db2.gz HAJZMENMQMEKBH-SJORKVTESA-N 1 3 339.499 2.581 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105568593 1105947520 /nfs/dbraw/zinc/94/75/20/1105947520.db2.gz ULMWAPRLXQFQLU-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105568176 1105947776 /nfs/dbraw/zinc/94/77/76/1105947776.db2.gz HLCWAGGLKNAJAN-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105575280 1105962456 /nfs/dbraw/zinc/96/24/56/1105962456.db2.gz XGMYYRZPPWGWTE-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105578967 1105973479 /nfs/dbraw/zinc/97/34/79/1105973479.db2.gz IPFPCHZUCCEHGE-QGZVFWFLSA-N 1 3 341.515 2.827 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC001648993103 1106000189 /nfs/dbraw/zinc/00/01/89/1106000189.db2.gz ZFXZWHYPGHPEEV-GJZGRUSLSA-N 1 3 325.884 2.822 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000897792288 1106098100 /nfs/dbraw/zinc/09/81/00/1106098100.db2.gz KAAYYIRBBLBROB-YJBOKZPZSA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000897792288 1106098107 /nfs/dbraw/zinc/09/81/07/1106098107.db2.gz KAAYYIRBBLBROB-YJBOKZPZSA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000897799172 1106100811 /nfs/dbraw/zinc/10/08/11/1106100811.db2.gz KAAYYIRBBLBROB-CRAIPNDOSA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000897799172 1106100815 /nfs/dbraw/zinc/10/08/15/1106100815.db2.gz KAAYYIRBBLBROB-CRAIPNDOSA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000897908658 1106144240 /nfs/dbraw/zinc/14/42/40/1106144240.db2.gz KIULBBKDUJOIDU-GOSISDBHSA-N 1 3 349.519 2.971 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001674440915 1106190836 /nfs/dbraw/zinc/19/08/36/1106190836.db2.gz OOWFPQQDMGTXCQ-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001674440915 1106190838 /nfs/dbraw/zinc/19/08/38/1106190838.db2.gz OOWFPQQDMGTXCQ-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450000 1106193942 /nfs/dbraw/zinc/19/39/42/1106193942.db2.gz LXPGZHORBKEDDN-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449999 1106194040 /nfs/dbraw/zinc/19/40/40/1106194040.db2.gz LXPGZHORBKEDDN-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCOC23CCOCC3)CC1 ZINC000898114727 1106235047 /nfs/dbraw/zinc/23/50/47/1106235047.db2.gz ALHCIQMUCBYJBG-BHIYHBOVSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116324 1106235863 /nfs/dbraw/zinc/23/58/63/1106235863.db2.gz OSRGUCWJRLYFOL-QRQLOZEOSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116324 1106235868 /nfs/dbraw/zinc/23/58/68/1106235868.db2.gz OSRGUCWJRLYFOL-QRQLOZEOSA-N 1 3 336.520 2.957 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC=C(Cl)C3)CC2)CC1 ZINC000898200208 1106278519 /nfs/dbraw/zinc/27/85/19/1106278519.db2.gz SMLXEAXMVVIQQA-UHFFFAOYSA-N 1 3 339.911 2.538 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000989457868 1106278797 /nfs/dbraw/zinc/27/87/97/1106278797.db2.gz XHQILEPZIRWXTM-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000989457868 1106278798 /nfs/dbraw/zinc/27/87/98/1106278798.db2.gz XHQILEPZIRWXTM-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO Cc1nc2ccccn2c1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000898275763 1106301368 /nfs/dbraw/zinc/30/13/68/1106301368.db2.gz CCMFBPKNEIYRSU-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989475326 1106344977 /nfs/dbraw/zinc/34/49/77/1106344977.db2.gz RWGFFIRSPPJUMF-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989475326 1106344979 /nfs/dbraw/zinc/34/49/79/1106344979.db2.gz RWGFFIRSPPJUMF-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604909 1106481052 /nfs/dbraw/zinc/48/10/52/1106481052.db2.gz GVEQVKFKVAMKJC-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000989607068 1106482569 /nfs/dbraw/zinc/48/25/69/1106482569.db2.gz ZHNQMWKHHLWDTH-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606885 1106482631 /nfs/dbraw/zinc/48/26/31/1106482631.db2.gz WLSGOWCXUZNGON-DOTOQJQBSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606869 1106482786 /nfs/dbraw/zinc/48/27/86/1106482786.db2.gz WIOZSHZSQVKVDQ-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606871 1106482999 /nfs/dbraw/zinc/48/29/99/1106482999.db2.gz WIOZSHZSQVKVDQ-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)[C@@H]1C ZINC001088693035 1106549299 /nfs/dbraw/zinc/54/92/99/1106549299.db2.gz IYIOCPOJXQYEBA-NZSAHSFTSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088693035 1106549302 /nfs/dbraw/zinc/54/93/02/1106549302.db2.gz IYIOCPOJXQYEBA-NZSAHSFTSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000989728662 1106601477 /nfs/dbraw/zinc/60/14/77/1106601477.db2.gz RFPVNKIGLWTBLX-RTBURBONSA-N 1 3 343.515 2.636 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCCN(CCc2cccs2)CC1 ZINC000989737055 1106614168 /nfs/dbraw/zinc/61/41/68/1106614168.db2.gz JANSUNNMYKWRHH-UHFFFAOYSA-N 1 3 349.544 2.701 20 0 EFADHO C[C@@H]1CN(C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001168315504 1106623559 /nfs/dbraw/zinc/62/35/59/1106623559.db2.gz WWJISDDWQHCYKW-QQFBHYJXSA-N 1 3 325.497 2.800 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)CN1CCCC1 ZINC000989801249 1106658118 /nfs/dbraw/zinc/65/81/18/1106658118.db2.gz ZWSMGCWUGXAGIS-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000989797460 1106668419 /nfs/dbraw/zinc/66/84/19/1106668419.db2.gz XTHIDFYQJPQUDT-CXAGYDPISA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CN1C(=O)CN1CCCC1 ZINC000989798965 1106670469 /nfs/dbraw/zinc/67/04/69/1106670469.db2.gz IBMDVBVSIVUKFK-NVXWUHKLSA-N 1 3 341.455 2.608 20 0 EFADHO CCc1cccc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)c1 ZINC001168320691 1106714592 /nfs/dbraw/zinc/71/45/92/1106714592.db2.gz KYDPLXNZDRGXMB-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168419712 1106943926 /nfs/dbraw/zinc/94/39/26/1106943926.db2.gz DHRNREAUKJNDDO-HXUWFJFHSA-N 1 3 333.495 2.642 20 0 EFADHO C[NH+](C)C1CCC(N2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330533 1106976966 /nfs/dbraw/zinc/97/69/66/1106976966.db2.gz RRZHSEVEDORPTR-JMLCCBQJSA-N 1 3 343.487 2.798 20 0 EFADHO C[NH+](C)C1CCC(N2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001168330531 1106978589 /nfs/dbraw/zinc/97/85/89/1106978589.db2.gz ROSRQFWBIRGJCC-GQGLESIBSA-N 1 3 337.508 2.943 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001168335793 1107170218 /nfs/dbraw/zinc/17/02/18/1107170218.db2.gz UELDDKYEPMBBSN-GOSISDBHSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C ZINC001088970811 1107175421 /nfs/dbraw/zinc/17/54/21/1107175421.db2.gz OZLZYTAMAPVISY-IXDOHACOSA-N 1 3 327.488 2.580 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001088970811 1107175430 /nfs/dbraw/zinc/17/54/30/1107175430.db2.gz OZLZYTAMAPVISY-IXDOHACOSA-N 1 3 327.488 2.580 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089038682 1107331410 /nfs/dbraw/zinc/33/14/10/1107331410.db2.gz HCZYSSHOLHSQLE-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089038682 1107331423 /nfs/dbraw/zinc/33/14/23/1107331423.db2.gz HCZYSSHOLHSQLE-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089038681 1107334679 /nfs/dbraw/zinc/33/46/79/1107334679.db2.gz HCZYSSHOLHSQLE-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089038681 1107334692 /nfs/dbraw/zinc/33/46/92/1107334692.db2.gz HCZYSSHOLHSQLE-AHRSYUTCSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CC1CCC1 ZINC001089059000 1107375533 /nfs/dbraw/zinc/37/55/33/1107375533.db2.gz UWVKAJUQWRABRX-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CC1CCC1 ZINC001089059000 1107375546 /nfs/dbraw/zinc/37/55/46/1107375546.db2.gz UWVKAJUQWRABRX-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001168344974 1107378649 /nfs/dbraw/zinc/37/86/49/1107378649.db2.gz IHFCRCOLOHPLEY-HNNXBMFYSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCCc2ccccc2)CC1 ZINC001168345563 1107388610 /nfs/dbraw/zinc/38/86/10/1107388610.db2.gz QMPXINIZJXWLPF-UHFFFAOYSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CCCCC1 ZINC001088702602 1107397402 /nfs/dbraw/zinc/39/74/02/1107397402.db2.gz YQQSXUIEKNVNJG-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CCCCC1 ZINC001088702602 1107397412 /nfs/dbraw/zinc/39/74/12/1107397412.db2.gz YQQSXUIEKNVNJG-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990244987 1107554296 /nfs/dbraw/zinc/55/42/96/1107554296.db2.gz SQEIPFXCCVCDLQ-RDTXWAMCSA-N 1 3 333.451 2.562 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000990275985 1107588236 /nfs/dbraw/zinc/58/82/36/1107588236.db2.gz GLOGGFSNPDXZCN-GOSISDBHSA-N 1 3 333.520 2.632 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000990275987 1107588405 /nfs/dbraw/zinc/58/84/05/1107588405.db2.gz GLOGGFSNPDXZCN-SFHVURJKSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990276858 1107588730 /nfs/dbraw/zinc/58/87/30/1107588730.db2.gz KHIAQMMINHNWCD-MOPGFXCFSA-N 1 3 347.478 2.952 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000990275573 1107588785 /nfs/dbraw/zinc/58/87/85/1107588785.db2.gz BDVISUYLBKDMGW-WOJBJXKFSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001089135965 1107596864 /nfs/dbraw/zinc/59/68/64/1107596864.db2.gz DKURBFFQYDQIHB-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001089135965 1107596869 /nfs/dbraw/zinc/59/68/69/1107596869.db2.gz DKURBFFQYDQIHB-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CO[C@@H](CN)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000904101924 1107605136 /nfs/dbraw/zinc/60/51/36/1107605136.db2.gz VZYWHIGTKRWZCA-INIZCTEOSA-N 1 3 330.432 2.615 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001483688534 1107731310 /nfs/dbraw/zinc/73/13/10/1107731310.db2.gz HGNVRMRXCKLPSF-RTBURBONSA-N 1 3 343.515 2.639 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001483688534 1107731322 /nfs/dbraw/zinc/73/13/22/1107731322.db2.gz HGNVRMRXCKLPSF-RTBURBONSA-N 1 3 343.515 2.639 20 0 EFADHO COc1ccc(CN2CCCN(C[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904302282 1107792840 /nfs/dbraw/zinc/79/28/40/1107792840.db2.gz UJEIGWLBXSJZGX-FQEVSTJZSA-N 1 3 331.504 2.593 20 0 EFADHO CC(C)(C)CC[C@H](N)C[NH2+]CCNc1nccc(C(F)(F)F)n1 ZINC000904359206 1107841390 /nfs/dbraw/zinc/84/13/90/1107841390.db2.gz GPBGMEWTEGFXLL-NSHDSACASA-N 1 3 333.402 2.651 20 0 EFADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000904371530 1107867464 /nfs/dbraw/zinc/86/74/64/1107867464.db2.gz PNJCAXQSFRZCCL-MDZRGWNJSA-N 1 3 339.524 2.859 20 0 EFADHO COc1ccc([C@H](C)NC[C@H](C[NH3+])Cc2cnn(C)c2C)cc1C ZINC000904389759 1107878307 /nfs/dbraw/zinc/87/83/07/1107878307.db2.gz TWUMSNWNIXKLET-HOCLYGCPSA-N 1 3 330.476 2.514 20 0 EFADHO C[C@@H](O)c1ncc(CN2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC000904458955 1107953568 /nfs/dbraw/zinc/95/35/68/1107953568.db2.gz LFBSQUOZEKZBDE-CQSZACIVSA-N 1 3 331.485 2.689 20 0 EFADHO COC(=O)c1coc(CN2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC000904458862 1107954360 /nfs/dbraw/zinc/95/43/60/1107954360.db2.gz HUQFDQOCDQICHD-UHFFFAOYSA-N 1 3 328.412 2.559 20 0 EFADHO COC(=O)c1cc(CN2CCC(C[NH3+])(c3ccccc3)CC2)oc1C ZINC000904459313 1107956083 /nfs/dbraw/zinc/95/60/83/1107956083.db2.gz QOQZCZGWHLKDPW-UHFFFAOYSA-N 1 3 342.439 2.867 20 0 EFADHO Cc1ccnc(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000904472011 1107960590 /nfs/dbraw/zinc/96/05/90/1107960590.db2.gz DIHMBDZZEQYNBK-UHFFFAOYSA-N 1 3 328.485 2.872 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)c1 ZINC000904614697 1108063313 /nfs/dbraw/zinc/06/33/13/1108063313.db2.gz GNLFZHPZBFAMAA-HZPDHXFCSA-N 1 3 348.491 2.621 20 0 EFADHO C[C@H]1[C@@H](NC(=O)Nc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC000904634500 1108073146 /nfs/dbraw/zinc/07/31/46/1108073146.db2.gz QLUNPURAYPCNGC-YJBOKZPZSA-N 1 3 338.455 2.930 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC001089225822 1108078299 /nfs/dbraw/zinc/07/82/99/1108078299.db2.gz AMFOJDZXZCJAEJ-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC001089225822 1108078312 /nfs/dbraw/zinc/07/83/12/1108078312.db2.gz AMFOJDZXZCJAEJ-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[NH+](CC)CCC(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001272403002 1108189474 /nfs/dbraw/zinc/18/94/74/1108189474.db2.gz YEHDOHGRDCILCK-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272414441 1108227712 /nfs/dbraw/zinc/22/77/12/1108227712.db2.gz HLECTXPXKKKUFP-IPMKNSEASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272414441 1108227720 /nfs/dbraw/zinc/22/77/20/1108227720.db2.gz HLECTXPXKKKUFP-IPMKNSEASA-N 1 3 335.536 2.996 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272422898 1108254445 /nfs/dbraw/zinc/25/44/45/1108254445.db2.gz AMXVOLVECGMHIZ-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272422898 1108254453 /nfs/dbraw/zinc/25/44/53/1108254453.db2.gz AMXVOLVECGMHIZ-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000904921391 1108273755 /nfs/dbraw/zinc/27/37/55/1108273755.db2.gz XLZYCAPZNCVINW-GOSISDBHSA-N 1 3 335.517 3.000 20 0 EFADHO C[N@H+](CCCNC[C@H](O)CC1(O)CCCCC1)Cc1ccccc1 ZINC000905022595 1108357490 /nfs/dbraw/zinc/35/74/90/1108357490.db2.gz APKBVGVPTQAMHN-LJQANCHMSA-N 1 3 334.504 2.544 20 0 EFADHO C[N@@H+](CCCNC[C@H](O)CC1(O)CCCCC1)Cc1ccccc1 ZINC000905022595 1108357504 /nfs/dbraw/zinc/35/75/04/1108357504.db2.gz APKBVGVPTQAMHN-LJQANCHMSA-N 1 3 334.504 2.544 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001106132912 1108512048 /nfs/dbraw/zinc/51/20/48/1108512048.db2.gz FKJCSKRJKUTHGA-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)N(C)C ZINC001409445322 1108518821 /nfs/dbraw/zinc/51/88/21/1108518821.db2.gz HIXNXPREWZDGHE-DLITXQEPSA-N 1 3 329.916 2.684 20 0 EFADHO Cc1cccc([C@H](O)CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000905262318 1108551045 /nfs/dbraw/zinc/55/10/45/1108551045.db2.gz VADWAPYNAURTDJ-LJQANCHMSA-N 1 3 343.471 2.544 20 0 EFADHO O[C@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000128074218 1108575199 /nfs/dbraw/zinc/57/51/99/1108575199.db2.gz RVIOILFDIHNDJK-GOSISDBHSA-N 1 3 330.428 2.577 20 0 EFADHO CN(C)C[C@H](NC(=O)CCSCCC[NH3+])c1ccc(Cl)cc1 ZINC001122033183 1108614844 /nfs/dbraw/zinc/61/48/44/1108614844.db2.gz QMXCADQDAUYDRC-HNNXBMFYSA-N 1 3 343.924 2.531 20 0 EFADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)N1CCCc2ccccc21 ZINC001168360206 1108654915 /nfs/dbraw/zinc/65/49/15/1108654915.db2.gz LLIBXCHKYOLKSP-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)N1CCCc2ccccc21 ZINC001168360206 1108654918 /nfs/dbraw/zinc/65/49/18/1108654918.db2.gz LLIBXCHKYOLKSP-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CC1 ZINC001483738127 1108685684 /nfs/dbraw/zinc/68/56/84/1108685684.db2.gz LLYUXAWLKLIXFH-LJQANCHMSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001075335583 1108782726 /nfs/dbraw/zinc/78/27/26/1108782726.db2.gz PRYIRJGRXUJYJV-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001030020875 1108839397 /nfs/dbraw/zinc/83/93/97/1108839397.db2.gz DDMXVRSCOZLYOG-NZSAHSFTSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1)N(C)C ZINC001030021638 1108892470 /nfs/dbraw/zinc/89/24/70/1108892470.db2.gz KFJOHBIVUWDSPL-AOIWGVFYSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001142586779 1109048117 /nfs/dbraw/zinc/04/81/17/1109048117.db2.gz LUJCTLAGPXSOHE-QEUVDIPISA-N 1 3 345.531 2.748 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001142586779 1109048120 /nfs/dbraw/zinc/04/81/20/1109048120.db2.gz LUJCTLAGPXSOHE-QEUVDIPISA-N 1 3 345.531 2.748 20 0 EFADHO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C12CCC2 ZINC000898845838 1109102770 /nfs/dbraw/zinc/10/27/70/1109102770.db2.gz PBMKAWNUOCOMLZ-RBUKOAKNSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001088811965 1109104686 /nfs/dbraw/zinc/10/46/86/1109104686.db2.gz FLGCBSVQRLEMEO-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001088811965 1109104691 /nfs/dbraw/zinc/10/46/91/1109104691.db2.gz FLGCBSVQRLEMEO-MNEFBYGVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417699 1109219610 /nfs/dbraw/zinc/21/96/10/1109219610.db2.gz IJPYHNUBRPCTHV-CYBMUJFWSA-N 1 3 343.313 2.784 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417699 1109219612 /nfs/dbraw/zinc/21/96/12/1109219612.db2.gz IJPYHNUBRPCTHV-CYBMUJFWSA-N 1 3 343.313 2.784 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C)c1 ZINC001088816795 1109247792 /nfs/dbraw/zinc/24/77/92/1109247792.db2.gz PIRGGTHLOZZBIN-HNJRGHQBSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C)c1 ZINC001088816795 1109247795 /nfs/dbraw/zinc/24/77/95/1109247795.db2.gz PIRGGTHLOZZBIN-HNJRGHQBSA-N 1 3 343.515 2.804 20 0 EFADHO CCOC(=O)[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC001168366544 1109727840 /nfs/dbraw/zinc/72/78/40/1109727840.db2.gz VLAXMPCGLGUJRQ-IBGZPJMESA-N 1 3 330.472 2.797 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CC[C@H]3CN(Cc4ccsc4)C[C@H]32)CC1 ZINC001076324059 1109767222 /nfs/dbraw/zinc/76/72/22/1109767222.db2.gz LPCHEVQKBDZZCE-ZWKOTPCHSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076603934 1109944183 /nfs/dbraw/zinc/94/41/83/1109944183.db2.gz DKCPQCVONVFMQN-AYOQOUSVSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076603934 1109944187 /nfs/dbraw/zinc/94/41/87/1109944187.db2.gz DKCPQCVONVFMQN-AYOQOUSVSA-N 1 3 347.478 2.643 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604200 1109944650 /nfs/dbraw/zinc/94/46/50/1109944650.db2.gz RSFDXJJYPSOZKD-FFZOFVMBSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604200 1109944656 /nfs/dbraw/zinc/94/46/56/1109944656.db2.gz RSFDXJJYPSOZKD-FFZOFVMBSA-N 1 3 343.515 2.941 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106245938 1111212830 /nfs/dbraw/zinc/21/28/30/1111212830.db2.gz GJUWKVIEKSZQSG-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246831 1111213636 /nfs/dbraw/zinc/21/36/36/1111213636.db2.gz RFNVGLMIWOUTTH-RCCFBDPRSA-N 1 3 337.552 2.837 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247433 1111214143 /nfs/dbraw/zinc/21/41/43/1111214143.db2.gz ZCRIRRSTNXYUNX-BTFXCVNISA-N 1 3 335.536 2.901 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106282212 1111309157 /nfs/dbraw/zinc/30/91/57/1111309157.db2.gz YPFVNOFKRVFUFX-NXHRZFHOSA-N 1 3 325.541 2.693 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1F ZINC001127317599 1111352468 /nfs/dbraw/zinc/35/24/68/1111352468.db2.gz SXAMYCQLPCERQL-HNNXBMFYSA-N 1 3 335.467 2.857 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]C/C=C\c1ccccc1)N1CCCCC1 ZINC001127317841 1111353998 /nfs/dbraw/zinc/35/39/98/1111353998.db2.gz XMQRGZJQUHOUFX-XFXZXTDPSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1)N(C)C ZINC001106308816 1111396305 /nfs/dbraw/zinc/39/63/05/1111396305.db2.gz BRHBXSXTKXHZRY-MTUKJOAGSA-N 1 3 343.515 2.724 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001106336666 1111425427 /nfs/dbraw/zinc/42/54/27/1111425427.db2.gz YLHPAVKTXXZVLY-NVXWUHKLSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@H]1CCc2c1cccc2F)N1CCCCC1 ZINC001127327285 1111456472 /nfs/dbraw/zinc/45/64/72/1111456472.db2.gz JELXVWLLNSFOGA-SFHVURJKSA-N 1 3 347.478 2.783 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666831 1111708948 /nfs/dbraw/zinc/70/89/48/1111708948.db2.gz WZMSTRDIXWOVEI-IOIJZZRGSA-N 1 3 335.536 2.759 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106667896 1111711700 /nfs/dbraw/zinc/71/17/00/1111711700.db2.gz BDAQRGRPZLETLE-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668845 1111712129 /nfs/dbraw/zinc/71/21/29/1111712129.db2.gz QMLVCPPEETZSSB-IKSUFZCESA-N 1 3 335.536 2.759 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1)N(C)C ZINC001106673096 1111713353 /nfs/dbraw/zinc/71/33/53/1111713353.db2.gz BRHBXSXTKXHZRY-SPNJVZHBSA-N 1 3 343.515 2.724 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001272613302 1111737113 /nfs/dbraw/zinc/73/71/13/1111737113.db2.gz HBQPLTDFVIZQST-QXCZDIPSSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001272637812 1111788676 /nfs/dbraw/zinc/78/86/76/1111788676.db2.gz CWLPSFOUOPBDRU-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)c1 ZINC001272637812 1111788682 /nfs/dbraw/zinc/78/86/82/1111788682.db2.gz CWLPSFOUOPBDRU-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001106775502 1111822089 /nfs/dbraw/zinc/82/20/89/1111822089.db2.gz LNYJWJNNJJVYMG-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106775659 1111822155 /nfs/dbraw/zinc/82/21/55/1111822155.db2.gz WOQRDEIFUVPIPK-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106779274 1111826233 /nfs/dbraw/zinc/82/62/33/1111826233.db2.gz HYUOWOOECNEJDG-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)[C@H](C)C1 ZINC001106783553 1111829156 /nfs/dbraw/zinc/82/91/56/1111829156.db2.gz SRMZQNOHYUFOJT-POAQFYNOSA-N 1 3 343.515 2.700 20 0 EFADHO C[N@H+](CCC(=O)NCC1(NC/C=C/Cl)CC1)C1CCCCC1 ZINC001483755267 1111937777 /nfs/dbraw/zinc/93/77/77/1111937777.db2.gz QZEPGDCDYUAHCB-VZUCSPMQSA-N 1 3 327.900 2.632 20 0 EFADHO C[N@@H+](CCC(=O)NCC1(NC/C=C/Cl)CC1)C1CCCCC1 ZINC001483755267 1111937780 /nfs/dbraw/zinc/93/77/80/1111937780.db2.gz QZEPGDCDYUAHCB-VZUCSPMQSA-N 1 3 327.900 2.632 20 0 EFADHO C[N@H+](CCC(=O)NCC1(NC/C=C\Cl)CC1)C1CCCCC1 ZINC001483755270 1111937805 /nfs/dbraw/zinc/93/78/05/1111937805.db2.gz QZEPGDCDYUAHCB-WZUFQYTHSA-N 1 3 327.900 2.632 20 0 EFADHO C[N@@H+](CCC(=O)NCC1(NC/C=C\Cl)CC1)C1CCCCC1 ZINC001483755270 1111937807 /nfs/dbraw/zinc/93/78/07/1111937807.db2.gz QZEPGDCDYUAHCB-WZUFQYTHSA-N 1 3 327.900 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089400286 1112069790 /nfs/dbraw/zinc/06/97/90/1112069790.db2.gz HPHBYOFAFNJSAV-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089400286 1112069794 /nfs/dbraw/zinc/06/97/94/1112069794.db2.gz HPHBYOFAFNJSAV-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccoc1C(=O)NCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000925453574 1112136619 /nfs/dbraw/zinc/13/66/19/1112136619.db2.gz LLOOKEPUDUAYFX-UHFFFAOYSA-N 1 3 335.492 2.808 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(CCCN2Cc2coc3ccccc23)C1=O ZINC001272667854 1112176461 /nfs/dbraw/zinc/17/64/61/1112176461.db2.gz XMNNILHHMAAHFW-HXUWFJFHSA-N 1 3 341.455 2.561 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509380 1112251329 /nfs/dbraw/zinc/25/13/29/1112251329.db2.gz BMMHFOLNRWLBBG-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509380 1112251330 /nfs/dbraw/zinc/25/13/30/1112251330.db2.gz BMMHFOLNRWLBBG-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547280 1112291630 /nfs/dbraw/zinc/29/16/30/1112291630.db2.gz AXCBHLCWFBJOGG-HOCLYGCPSA-N 1 3 334.508 2.914 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547280 1112291634 /nfs/dbraw/zinc/29/16/34/1112291634.db2.gz AXCBHLCWFBJOGG-HOCLYGCPSA-N 1 3 334.508 2.914 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547276 1112291705 /nfs/dbraw/zinc/29/17/05/1112291705.db2.gz AXCBHLCWFBJOGG-GDBMZVCRSA-N 1 3 334.508 2.914 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547276 1112291708 /nfs/dbraw/zinc/29/17/08/1112291708.db2.gz AXCBHLCWFBJOGG-GDBMZVCRSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089548648 1112293557 /nfs/dbraw/zinc/29/35/57/1112293557.db2.gz OGWPCOOMARKRBQ-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089548648 1112293559 /nfs/dbraw/zinc/29/35/59/1112293559.db2.gz OGWPCOOMARKRBQ-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001409910340 1112394678 /nfs/dbraw/zinc/39/46/78/1112394678.db2.gz JMQFQLLQJKGPGS-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031715139 1112415690 /nfs/dbraw/zinc/41/56/90/1112415690.db2.gz QSWMCHXDIBDJOQ-LJQANCHMSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089639566 1112429115 /nfs/dbraw/zinc/42/91/15/1112429115.db2.gz XOPMEQQTWPKPNF-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089639566 1112429116 /nfs/dbraw/zinc/42/91/16/1112429116.db2.gz XOPMEQQTWPKPNF-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641480 1112432490 /nfs/dbraw/zinc/43/24/90/1112432490.db2.gz NDTQSUJWWLVVPJ-RBUKOAKNSA-N 1 3 347.547 2.901 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001483971720 1112602918 /nfs/dbraw/zinc/60/29/18/1112602918.db2.gz VVXKBNDMDDHUPB-SFHVURJKSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001106907838 1112850443 /nfs/dbraw/zinc/85/04/43/1112850443.db2.gz FQLSQPRFBMSPJW-JFIYKMOQSA-N 1 3 349.494 2.913 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001484540554 1112995141 /nfs/dbraw/zinc/99/51/41/1112995141.db2.gz WJNYQWQZLWUULY-HUUCEWRRSA-N 1 3 344.434 2.681 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC001484636408 1113075176 /nfs/dbraw/zinc/07/51/76/1113075176.db2.gz BGJGXPYSMSTPBA-IBGZPJMESA-N 1 3 343.515 2.998 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001484636429 1113075749 /nfs/dbraw/zinc/07/57/49/1113075749.db2.gz CAINAGUPIOJZLP-GOSISDBHSA-N 1 3 347.478 2.829 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCC1)N(C)C ZINC001484660899 1113100734 /nfs/dbraw/zinc/10/07/34/1113100734.db2.gz UZJWGDYSLJJXCI-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001484826011 1117764740 /nfs/dbraw/zinc/76/47/40/1117764740.db2.gz ZWVQTUZJZWXXKX-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1 ZINC001484826011 1117764744 /nfs/dbraw/zinc/76/47/44/1117764744.db2.gz ZWVQTUZJZWXXKX-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819592 1117817783 /nfs/dbraw/zinc/81/77/83/1117817783.db2.gz HPILSSRAEXSMLG-FFGOWVMKSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819592 1117817789 /nfs/dbraw/zinc/81/77/89/1117817789.db2.gz HPILSSRAEXSMLG-FFGOWVMKSA-N 1 3 347.547 2.686 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccccc2)CC1(C)C ZINC001484941740 1117866338 /nfs/dbraw/zinc/86/63/38/1117866338.db2.gz KRTQKQPYQCGZHO-IBGZPJMESA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)CC1(C)C ZINC001484941740 1117866339 /nfs/dbraw/zinc/86/63/39/1117866339.db2.gz KRTQKQPYQCGZHO-IBGZPJMESA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)CC1(C)C ZINC001484941742 1117866904 /nfs/dbraw/zinc/86/69/04/1117866904.db2.gz KRTQKQPYQCGZHO-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)CC1(C)C ZINC001484941742 1117866909 /nfs/dbraw/zinc/86/69/09/1117866909.db2.gz KRTQKQPYQCGZHO-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(F)cc1 ZINC001484977401 1117917255 /nfs/dbraw/zinc/91/72/55/1117917255.db2.gz RFHFVUPFFCZNMZ-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001485253291 1118168905 /nfs/dbraw/zinc/16/89/05/1118168905.db2.gz AVNODLFQSLBWTO-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CC(=O)N(C)C1CCC([NH2+]CCC(F)(F)F)CC1)C1CCC1 ZINC001485239031 1118171023 /nfs/dbraw/zinc/17/10/23/1118171023.db2.gz XHKLAFDZOMDLQX-UHFFFAOYSA-N 1 3 349.441 2.782 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844951 1118240208 /nfs/dbraw/zinc/24/02/08/1118240208.db2.gz CJZMOKGTASDPAT-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844951 1118240214 /nfs/dbraw/zinc/24/02/14/1118240214.db2.gz CJZMOKGTASDPAT-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)[C@H]1CCc2c1cccc2F ZINC001485344568 1118265488 /nfs/dbraw/zinc/26/54/88/1118265488.db2.gz IQYVRSAWOYJXRU-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ncccc1CN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001485482508 1118410284 /nfs/dbraw/zinc/41/02/84/1118410284.db2.gz PBMZOIIBEFSJTA-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001485529510 1118430510 /nfs/dbraw/zinc/43/05/10/1118430510.db2.gz SEZNMOUFFDHWTK-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001485529510 1118430513 /nfs/dbraw/zinc/43/05/13/1118430513.db2.gz SEZNMOUFFDHWTK-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000995187892 1118756104 /nfs/dbraw/zinc/75/61/04/1118756104.db2.gz UOVOFLYPYQIZGW-RDJZCZTQSA-N 1 3 344.503 2.715 20 0 EFADHO CN(CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1F)C1CC1)C1CCC1 ZINC001485812753 1118872659 /nfs/dbraw/zinc/87/26/59/1118872659.db2.gz CFNXVFHYSLCFJO-IBGZPJMESA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H](C)NC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272716937 1118944785 /nfs/dbraw/zinc/94/47/85/1118944785.db2.gz NHVDPBJVYNBMRS-MSOLQXFVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001032027643 1118951036 /nfs/dbraw/zinc/95/10/36/1118951036.db2.gz WBQMEBMXUKVNLD-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001032027643 1118951039 /nfs/dbraw/zinc/95/10/39/1118951039.db2.gz WBQMEBMXUKVNLD-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032027675 1118951546 /nfs/dbraw/zinc/95/15/46/1118951546.db2.gz XOTBZXWOISFYJG-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558587 1118961919 /nfs/dbraw/zinc/96/19/19/1118961919.db2.gz YTRXHVRXEVRNDO-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558587 1118961920 /nfs/dbraw/zinc/96/19/20/1118961920.db2.gz YTRXHVRXEVRNDO-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558587 1118961922 /nfs/dbraw/zinc/96/19/22/1118961922.db2.gz YTRXHVRXEVRNDO-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555569 1118965515 /nfs/dbraw/zinc/96/55/15/1118965515.db2.gz MATYEERAQYMFRW-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555569 1118965519 /nfs/dbraw/zinc/96/55/19/1118965519.db2.gz MATYEERAQYMFRW-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000942597591 1119002370 /nfs/dbraw/zinc/00/23/70/1119002370.db2.gz MIJRSWINYQQYHR-KDOFPFPSSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042879 1119072700 /nfs/dbraw/zinc/07/27/00/1119072700.db2.gz MYFJUEHRHPXIIV-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042879 1119072702 /nfs/dbraw/zinc/07/27/02/1119072702.db2.gz MYFJUEHRHPXIIV-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034356 1119935782 /nfs/dbraw/zinc/93/57/82/1119935782.db2.gz WVCYHLOOXOIKTB-SOLBZPMBSA-N 1 3 349.494 2.794 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185318855 1120005275 /nfs/dbraw/zinc/00/52/75/1120005275.db2.gz ZGPWPMDASPRHOS-ZDUSSCGKSA-N 1 3 329.828 2.695 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001107040996 1120058207 /nfs/dbraw/zinc/05/82/07/1120058207.db2.gz WTKBTUUFVMWFOU-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC001107042392 1120066610 /nfs/dbraw/zinc/06/66/10/1120066610.db2.gz KNVHZKCSMDVFJR-UYAOXDASSA-N 1 3 345.531 2.644 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001107042531 1120068053 /nfs/dbraw/zinc/06/80/53/1120068053.db2.gz QMMIVZHTABLPOO-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC000944441741 1120193658 /nfs/dbraw/zinc/19/36/58/1120193658.db2.gz ACACNXFJRMLXCB-RHSMWYFYSA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@H]1C ZINC000944441741 1120193662 /nfs/dbraw/zinc/19/36/62/1120193662.db2.gz ACACNXFJRMLXCB-RHSMWYFYSA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1C ZINC000944441800 1120193966 /nfs/dbraw/zinc/19/39/66/1120193966.db2.gz AOVPZGLFRZFEGB-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C[C@H]1C ZINC000944441800 1120193968 /nfs/dbraw/zinc/19/39/68/1120193968.db2.gz AOVPZGLFRZFEGB-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC000944445962 1120194323 /nfs/dbraw/zinc/19/43/23/1120194323.db2.gz RNFSCSIVWFAOLI-CRAIPNDOSA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC000944445962 1120194327 /nfs/dbraw/zinc/19/43/27/1120194327.db2.gz RNFSCSIVWFAOLI-CRAIPNDOSA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1C ZINC000944446243 1120194463 /nfs/dbraw/zinc/19/44/63/1120194463.db2.gz TXRWNJCWPPOQMM-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C[C@H]1C ZINC000944446243 1120194466 /nfs/dbraw/zinc/19/44/66/1120194466.db2.gz TXRWNJCWPPOQMM-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001032206267 1120200346 /nfs/dbraw/zinc/20/03/46/1120200346.db2.gz WLVNYUAQZYUKBF-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CCC(C)(C)C)C2)c1 ZINC001032206595 1120202462 /nfs/dbraw/zinc/20/24/62/1120202462.db2.gz DWMMULKFTVKWGD-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CCC3CCCC3)C2)c1 ZINC001032207687 1120207832 /nfs/dbraw/zinc/20/78/32/1120207832.db2.gz XPNGDIMSBAAPQC-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027805 1120518054 /nfs/dbraw/zinc/51/80/54/1120518054.db2.gz BTJIIVJPXVMABL-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027805 1120518057 /nfs/dbraw/zinc/51/80/57/1120518057.db2.gz BTJIIVJPXVMABL-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088194 1120558584 /nfs/dbraw/zinc/55/85/84/1120558584.db2.gz BHYRHDAOWDSSKS-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088194 1120558588 /nfs/dbraw/zinc/55/85/88/1120558588.db2.gz BHYRHDAOWDSSKS-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091526 1120563802 /nfs/dbraw/zinc/56/38/02/1120563802.db2.gz NPDYSCMFFSZVGG-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091526 1120563804 /nfs/dbraw/zinc/56/38/04/1120563804.db2.gz NPDYSCMFFSZVGG-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000345684371 290630004 /nfs/dbraw/zinc/63/00/04/290630004.db2.gz REXVIVYMKQIKDW-HOTGVXAUSA-N 1 3 333.476 2.575 20 0 EFADHO C[NH2+]CC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430925272 290640755 /nfs/dbraw/zinc/64/07/55/290640755.db2.gz CVEFHXKRDYDYJM-IBGZPJMESA-N 1 3 329.488 2.672 20 0 EFADHO C[NH+](C)[C@@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000416152617 282168790 /nfs/dbraw/zinc/16/87/90/282168790.db2.gz XYRNPBLDCAWDTL-MOPGFXCFSA-N 1 3 329.488 2.766 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCCC(=O)OC(C)(C)C ZINC000368356689 282225487 /nfs/dbraw/zinc/22/54/87/282225487.db2.gz CVIMOMJXSGWUGO-IKGGRYGDSA-N 1 3 340.508 2.682 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000451455493 282238593 /nfs/dbraw/zinc/23/85/93/282238593.db2.gz JWWKEPRFQGKPFI-QZTJIDSGSA-N 1 3 329.488 2.718 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2cc[nH]c2c1 ZINC000101518476 219130430 /nfs/dbraw/zinc/13/04/30/219130430.db2.gz VPQXMMZHMYHBCT-SFHVURJKSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2cc[nH]c2c1 ZINC000101518476 219130432 /nfs/dbraw/zinc/13/04/32/219130432.db2.gz VPQXMMZHMYHBCT-SFHVURJKSA-N 1 3 342.487 2.656 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cnn(C)c1 ZINC000178698698 232389055 /nfs/dbraw/zinc/38/90/55/232389055.db2.gz KLEMUXAKKICFAE-SFHVURJKSA-N 1 3 341.503 2.673 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000178792682 232488041 /nfs/dbraw/zinc/48/80/41/232488041.db2.gz GFVOMJHIFDHTHG-IBGZPJMESA-N 1 3 341.455 2.698 20 0 EFADHO CN(CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422802027 282478229 /nfs/dbraw/zinc/47/82/29/282478229.db2.gz AQPWCSGPLINEBD-TZIWHRDSSA-N 1 3 337.467 2.968 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)CN1CCCCC1)C(C)C ZINC000355942815 535059278 /nfs/dbraw/zinc/05/92/78/535059278.db2.gz MSDBXSQUQGFXTA-QGZVFWFLSA-N 1 3 326.529 2.621 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423430145 283058534 /nfs/dbraw/zinc/05/85/34/283058534.db2.gz HYJFYCWGQHYPMX-FUHWJXTLSA-N 1 3 331.504 2.903 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423430145 283058538 /nfs/dbraw/zinc/05/85/38/283058538.db2.gz HYJFYCWGQHYPMX-FUHWJXTLSA-N 1 3 331.504 2.903 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000374443813 283094001 /nfs/dbraw/zinc/09/40/01/283094001.db2.gz NQICDLYCTATWHD-JENIJYKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000374443813 283094002 /nfs/dbraw/zinc/09/40/02/283094002.db2.gz NQICDLYCTATWHD-JENIJYKNSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353419895 283140937 /nfs/dbraw/zinc/14/09/37/283140937.db2.gz DHOVJUPDABYHSD-AKHDSKFASA-N 1 3 333.520 2.630 20 0 EFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353419895 283140941 /nfs/dbraw/zinc/14/09/41/283140941.db2.gz DHOVJUPDABYHSD-AKHDSKFASA-N 1 3 333.520 2.630 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495355 283170411 /nfs/dbraw/zinc/17/04/11/283170411.db2.gz GCEZTIZUUYWUPA-APWZRJJASA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495355 283170412 /nfs/dbraw/zinc/17/04/12/283170412.db2.gz GCEZTIZUUYWUPA-APWZRJJASA-N 1 3 337.508 2.661 20 0 EFADHO CCC[N@H+](CCCN1CCN(C(C)C)CC1)CCN1CCCCC1 ZINC000353170033 283225322 /nfs/dbraw/zinc/22/53/22/283225322.db2.gz QLHJVHFQZVWFJI-UHFFFAOYSA-N 1 3 338.584 2.600 20 0 EFADHO CCC[N@@H+](CCCN1CCN(C(C)C)CC1)CCN1CCCCC1 ZINC000353170033 283225325 /nfs/dbraw/zinc/22/53/25/283225325.db2.gz QLHJVHFQZVWFJI-UHFFFAOYSA-N 1 3 338.584 2.600 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000351812033 283238168 /nfs/dbraw/zinc/23/81/68/283238168.db2.gz STGOWOWFCJZAOP-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000351812033 283238170 /nfs/dbraw/zinc/23/81/70/283238170.db2.gz STGOWOWFCJZAOP-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418695896 283253275 /nfs/dbraw/zinc/25/32/75/283253275.db2.gz MDKTXWRFDGWFSV-KRWDZBQOSA-N 1 3 326.529 2.802 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000343102837 283348467 /nfs/dbraw/zinc/34/84/67/283348467.db2.gz NJQQHSNIGBZFHH-WMLDXEAASA-N 1 3 335.879 2.504 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414855099 296007792 /nfs/dbraw/zinc/00/77/92/296007792.db2.gz WDSNURPKQMESET-FZMZJTMJSA-N 1 3 329.286 2.531 20 0 EFADHO [NH3+]C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000238034823 201150329 /nfs/dbraw/zinc/15/03/29/201150329.db2.gz DWADYRGJLICMHO-WOJBJXKFSA-N 1 3 337.467 2.510 20 0 EFADHO CC(C)(N)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000236790158 201147730 /nfs/dbraw/zinc/14/77/30/201147730.db2.gz LMPMYWQSRIHNPE-UHFFFAOYSA-N 1 3 339.483 2.932 20 0 EFADHO [NH3+]C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000238036457 201151120 /nfs/dbraw/zinc/15/11/20/201151120.db2.gz DWADYRGJLICMHO-VQTJNVASSA-N 1 3 337.467 2.510 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000237958762 201151538 /nfs/dbraw/zinc/15/15/38/201151538.db2.gz YNERFDHZCCLQQM-HXUWFJFHSA-N 1 3 343.515 2.937 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCC(C)CC1)CC(C)C ZINC000071925764 201172253 /nfs/dbraw/zinc/17/22/53/201172253.db2.gz UCESLSUVXYUERL-SFHVURJKSA-N 1 3 340.556 2.774 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261722559 201196551 /nfs/dbraw/zinc/19/65/51/201196551.db2.gz KFOOFUIRBFWTRC-DSLXNQLJSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261751723 201198148 /nfs/dbraw/zinc/19/81/48/201198148.db2.gz HGDJPRGXXVBXFH-ZIFCJYIRSA-N 1 3 329.488 2.545 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCN1Cc1ccccc1 ZINC000262666651 201205719 /nfs/dbraw/zinc/20/57/19/201205719.db2.gz KGTOOKNNWNPXSJ-RAFMOHDBSA-N 1 3 341.499 2.688 20 0 EFADHO CN1CCC(O)(C[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000268992575 201229377 /nfs/dbraw/zinc/22/93/77/201229377.db2.gz MXTKHVLQNQJISS-UHFFFAOYSA-N 1 3 338.495 2.887 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1Br ZINC000268972116 201229897 /nfs/dbraw/zinc/22/98/97/201229897.db2.gz IFGSKRYKUKANFJ-LBPRGKRZSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000269069388 201230328 /nfs/dbraw/zinc/23/03/28/201230328.db2.gz WNDLZRRZWXODFD-NSHDSACASA-N 1 3 345.256 2.696 20 0 EFADHO CN1CCC(O)(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000269062736 201230708 /nfs/dbraw/zinc/23/07/08/201230708.db2.gz URCZDSQCGLESRQ-CQSZACIVSA-N 1 3 326.893 2.923 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000269277283 201231334 /nfs/dbraw/zinc/23/13/34/201231334.db2.gz YBKKFDHYBAYXOL-OWYHZJEWSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000272534453 201252448 /nfs/dbraw/zinc/25/24/48/201252448.db2.gz JOVSIQFYNJKAPZ-VQHPVUNQSA-N 1 3 342.405 2.800 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1OC ZINC000273747927 201263211 /nfs/dbraw/zinc/26/32/11/201263211.db2.gz ORMVSOVQZNFTPD-ZMHJYQQXSA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1OC ZINC000273747927 201263213 /nfs/dbraw/zinc/26/32/13/201263213.db2.gz ORMVSOVQZNFTPD-ZMHJYQQXSA-N 1 3 332.488 2.822 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000275849057 201287447 /nfs/dbraw/zinc/28/74/47/201287447.db2.gz KRENFKZBIOLBQW-LLVKDONJSA-N 1 3 345.256 2.696 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000275849058 201287572 /nfs/dbraw/zinc/28/75/72/201287572.db2.gz KRENFKZBIOLBQW-NSHDSACASA-N 1 3 345.256 2.696 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000132055569 223296011 /nfs/dbraw/zinc/29/60/11/223296011.db2.gz AXMPAYLDFLIJHS-FXAWDEMLSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000292098331 201341919 /nfs/dbraw/zinc/34/19/19/201341919.db2.gz OAZKRLLCPNNMHI-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000292194593 201342367 /nfs/dbraw/zinc/34/23/67/201342367.db2.gz XVMJZBZDPJFJDR-RTBURBONSA-N 1 3 329.488 2.690 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000292184210 201342554 /nfs/dbraw/zinc/34/25/54/201342554.db2.gz WYBMJRZWGNFARH-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000291996455 201342714 /nfs/dbraw/zinc/34/27/14/201342714.db2.gz BSIUNPWJMRJPHH-QRQLOZEOSA-N 1 3 329.488 2.688 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000156014976 201398961 /nfs/dbraw/zinc/39/89/61/201398961.db2.gz LRGNYMWAAVUHBK-LJQANCHMSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000156049779 201399275 /nfs/dbraw/zinc/39/92/75/201399275.db2.gz DHEZMSPCCYMEJV-APWZRJJASA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CCOCC[NH3+])OCCO3 ZINC000357033959 291315621 /nfs/dbraw/zinc/31/56/21/291315621.db2.gz UKCHJDJUFCFJDG-HNNXBMFYSA-N 1 3 346.471 2.622 20 0 EFADHO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000422197788 296075706 /nfs/dbraw/zinc/07/57/06/296075706.db2.gz GMZGQAVLZVRVMA-JYPHPWERSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000226873476 242117843 /nfs/dbraw/zinc/11/78/43/242117843.db2.gz ISMOQVOCAHCAAQ-TUKIKUTGSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000226873476 242117846 /nfs/dbraw/zinc/11/78/46/242117846.db2.gz ISMOQVOCAHCAAQ-TUKIKUTGSA-N 1 3 327.266 2.555 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000449853684 296103558 /nfs/dbraw/zinc/10/35/58/296103558.db2.gz WICHHTJBUSBCCX-RBUKOAKNSA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000449853684 296103561 /nfs/dbraw/zinc/10/35/61/296103561.db2.gz WICHHTJBUSBCCX-RBUKOAKNSA-N 1 3 333.520 2.870 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000236653777 242309203 /nfs/dbraw/zinc/30/92/03/242309203.db2.gz XGTMGKSFCJKXQF-AZUAARDMSA-N 1 3 329.488 2.575 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000236661553 242310787 /nfs/dbraw/zinc/31/07/87/242310787.db2.gz JWFJLHWEEZFYHA-ARFHVFGLSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@@H](O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411568845 242874455 /nfs/dbraw/zinc/87/44/55/242874455.db2.gz MJTFXTQIYYPIEO-RBUKOAKNSA-N 1 3 345.531 2.559 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000412139442 243165054 /nfs/dbraw/zinc/16/50/54/243165054.db2.gz RZPLXWJZXJSLIV-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000412139442 243165061 /nfs/dbraw/zinc/16/50/61/243165061.db2.gz RZPLXWJZXJSLIV-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112106 243146506 /nfs/dbraw/zinc/14/65/06/243146506.db2.gz GJXULNGXMRRXNI-PXNSSMCTSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112106 243146517 /nfs/dbraw/zinc/14/65/17/243146517.db2.gz GJXULNGXMRRXNI-PXNSSMCTSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412111691 243146574 /nfs/dbraw/zinc/14/65/74/243146574.db2.gz GJXULNGXMRRXNI-FXAWDEMLSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412111691 243146583 /nfs/dbraw/zinc/14/65/83/243146583.db2.gz GJXULNGXMRRXNI-FXAWDEMLSA-N 1 3 341.499 2.981 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000246309832 243227560 /nfs/dbraw/zinc/22/75/60/243227560.db2.gz MFTPNXNQYUCKDJ-APWZRJJASA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000246309832 243227564 /nfs/dbraw/zinc/22/75/64/243227564.db2.gz MFTPNXNQYUCKDJ-APWZRJJASA-N 1 3 346.519 2.620 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412330717 243271712 /nfs/dbraw/zinc/27/17/12/243271712.db2.gz AKYRMIPNRTWJAX-BASYENTBSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412330717 243271721 /nfs/dbraw/zinc/27/17/21/243271721.db2.gz AKYRMIPNRTWJAX-BASYENTBSA-N 1 3 335.467 2.806 20 0 EFADHO COc1cc2nccc(N3C[C@H](SC)[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000413201218 243535718 /nfs/dbraw/zinc/53/57/18/243535718.db2.gz FSXOGMQWAVRLIF-YJBOKZPZSA-N 1 3 347.484 2.734 20 0 EFADHO C[C@@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171771 244029577 /nfs/dbraw/zinc/02/95/77/244029577.db2.gz DRDIREFNWPEEMC-KGLIPLIRSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171771 244029583 /nfs/dbraw/zinc/02/95/83/244029583.db2.gz DRDIREFNWPEEMC-KGLIPLIRSA-N 1 3 342.480 2.612 20 0 EFADHO CN1CCC(C[NH2+][C@@H]2CCCc3sccc32)(N2CCOCC2)CC1 ZINC000414187170 244036016 /nfs/dbraw/zinc/03/60/16/244036016.db2.gz ICVONGWGKUFTOO-QGZVFWFLSA-N 1 3 349.544 2.512 20 0 EFADHO Cc1ccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1 ZINC000414367098 244110551 /nfs/dbraw/zinc/11/05/51/244110551.db2.gz PSVDVOFHJIUBAL-UHFFFAOYSA-N 1 3 340.471 2.592 20 0 EFADHO CS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCC2)s1 ZINC000414455273 244172718 /nfs/dbraw/zinc/17/27/18/244172718.db2.gz SAVPILBCYGUJIH-UHFFFAOYSA-N 1 3 330.519 2.507 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414510321 244202640 /nfs/dbraw/zinc/20/26/40/244202640.db2.gz DSYBCBCSBQSFIS-AOIWGVFYSA-N 1 3 331.504 2.732 20 0 EFADHO CCC(CC)C[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414553201 244231074 /nfs/dbraw/zinc/23/10/74/244231074.db2.gz INAVOEUBQZZCNS-UHFFFAOYSA-N 1 3 331.504 2.910 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414690402 244294065 /nfs/dbraw/zinc/29/40/65/244294065.db2.gz HTXDSHNTTCSPQD-IAGOWNOFSA-N 1 3 330.476 2.533 20 0 EFADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703427 244298924 /nfs/dbraw/zinc/29/89/24/244298924.db2.gz JRNLQBHYXHJILV-PKOBYXMFSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703427 244298932 /nfs/dbraw/zinc/29/89/32/244298932.db2.gz JRNLQBHYXHJILV-PKOBYXMFSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414671137 244286211 /nfs/dbraw/zinc/28/62/11/244286211.db2.gz FKBXGSHOHCTFRP-MRXNPFEDSA-N 1 3 337.895 2.748 20 0 EFADHO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414671137 244286220 /nfs/dbraw/zinc/28/62/20/244286220.db2.gz FKBXGSHOHCTFRP-MRXNPFEDSA-N 1 3 337.895 2.748 20 0 EFADHO C[C@@H]1C[C@H](CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000414703492 244298539 /nfs/dbraw/zinc/29/85/39/244298539.db2.gz VOFHLYODMQKIOH-CPUCHLNUSA-N 1 3 335.879 2.765 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000414689355 244292519 /nfs/dbraw/zinc/29/25/19/244292519.db2.gz KVFSWLOXWMNUNC-WBVHZDCISA-N 1 3 349.906 2.544 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000414689355 244292522 /nfs/dbraw/zinc/29/25/22/244292522.db2.gz KVFSWLOXWMNUNC-WBVHZDCISA-N 1 3 349.906 2.544 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000414689352 244292752 /nfs/dbraw/zinc/29/27/52/244292752.db2.gz KVFSWLOXWMNUNC-RDJZCZTQSA-N 1 3 349.906 2.544 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)C1 ZINC000414689352 244292761 /nfs/dbraw/zinc/29/27/61/244292761.db2.gz KVFSWLOXWMNUNC-RDJZCZTQSA-N 1 3 349.906 2.544 20 0 EFADHO [O-]c1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000414767060 244337249 /nfs/dbraw/zinc/33/72/49/244337249.db2.gz SAYCFOOCYWRJTM-UHFFFAOYSA-N 1 3 325.250 2.730 20 0 EFADHO [O-]c1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000414767060 244337257 /nfs/dbraw/zinc/33/72/57/244337257.db2.gz SAYCFOOCYWRJTM-UHFFFAOYSA-N 1 3 325.250 2.730 20 0 EFADHO Oc1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1Br ZINC000414767060 244337263 /nfs/dbraw/zinc/33/72/63/244337263.db2.gz SAYCFOOCYWRJTM-UHFFFAOYSA-N 1 3 325.250 2.730 20 0 EFADHO COc1cc2c(c(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000414772856 244338145 /nfs/dbraw/zinc/33/81/45/244338145.db2.gz CQIWSNYEXVKTCA-PMPSAXMXSA-N 1 3 330.472 2.840 20 0 EFADHO COc1c(Br)cccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770666 244338245 /nfs/dbraw/zinc/33/82/45/244338245.db2.gz PIXRLDQSILLGCV-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747704 244325029 /nfs/dbraw/zinc/32/50/29/244325029.db2.gz SMJAIGXMPLPDFS-IHPCNDPISA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747704 244325035 /nfs/dbraw/zinc/32/50/35/244325035.db2.gz SMJAIGXMPLPDFS-IHPCNDPISA-N 1 3 343.515 2.760 20 0 EFADHO COC(=O)c1nc([C@@H]2CCCN2C[C@H]2CC[NH2+][C@H](C)C2)sc1C ZINC000414755643 244327778 /nfs/dbraw/zinc/32/77/78/244327778.db2.gz IAGUXXGMAFOMLB-XBFCOCLRSA-N 1 3 337.489 2.763 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000414763871 244333774 /nfs/dbraw/zinc/33/37/74/244333774.db2.gz YEHGSDPSLHJUKK-SJORKVTESA-N 1 3 347.478 2.593 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000414763871 244333782 /nfs/dbraw/zinc/33/37/82/244333782.db2.gz YEHGSDPSLHJUKK-SJORKVTESA-N 1 3 347.478 2.593 20 0 EFADHO CCOc1c(OC)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414764382 244334323 /nfs/dbraw/zinc/33/43/23/244334323.db2.gz DGCAXPFHPPRWTR-IYBDPMFKSA-N 1 3 334.460 2.534 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000414707147 244299141 /nfs/dbraw/zinc/29/91/41/244299141.db2.gz MOGZBYNJDICGAI-HNNXBMFYSA-N 1 3 349.906 2.896 20 0 EFADHO C[C@@H]1C[C@@H](CN(C)[C@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000414703502 244300140 /nfs/dbraw/zinc/30/01/40/244300140.db2.gz VOFHLYODMQKIOH-KEYYUXOJSA-N 1 3 335.879 2.765 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000414807844 244362168 /nfs/dbraw/zinc/36/21/68/244362168.db2.gz RPLOCTYAGXLUCF-AAEUAGOBSA-N 1 3 341.249 2.785 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(N)CCCCCC1 ZINC000414858574 244375851 /nfs/dbraw/zinc/37/58/51/244375851.db2.gz KBIMDYQRVJLXCI-LBPRGKRZSA-N 1 3 329.286 2.675 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC000414865667 244378188 /nfs/dbraw/zinc/37/81/88/244378188.db2.gz LNJIDRKGLPDOIJ-AWEZNQCLSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(-n2nccc2CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414780680 244344877 /nfs/dbraw/zinc/34/48/77/244344877.db2.gz LUURZTBMASMMAW-HZPDHXFCSA-N 1 3 328.435 2.833 20 0 EFADHO Clc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000414780759 244345729 /nfs/dbraw/zinc/34/57/29/244345729.db2.gz LXSWAFBNFOKMLI-GJZGRUSLSA-N 1 3 336.863 2.933 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781989 244346154 /nfs/dbraw/zinc/34/61/54/244346154.db2.gz NVUGAGLLLUJXDB-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781989 244346158 /nfs/dbraw/zinc/34/61/58/244346158.db2.gz NVUGAGLLLUJXDB-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781989 244346168 /nfs/dbraw/zinc/34/61/68/244346168.db2.gz NVUGAGLLLUJXDB-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NC1CC[NH2+]CC1 ZINC000414784923 244348825 /nfs/dbraw/zinc/34/88/25/244348825.db2.gz UHGRAMBXQQJEEM-LLVKDONJSA-N 1 3 329.366 2.764 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCNCC1 ZINC000414784923 244348829 /nfs/dbraw/zinc/34/88/29/244348829.db2.gz UHGRAMBXQQJEEM-LLVKDONJSA-N 1 3 329.366 2.764 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414788120 244350212 /nfs/dbraw/zinc/35/02/12/244350212.db2.gz WGVPDZHTHSWNIC-GJZGRUSLSA-N 1 3 334.460 2.534 20 0 EFADHO Fc1cc(-c2ccccc2)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414786768 244351230 /nfs/dbraw/zinc/35/12/30/244351230.db2.gz XZZWBEORSBMPNM-UHFFFAOYSA-N 1 3 327.447 2.878 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414791184 244353133 /nfs/dbraw/zinc/35/31/33/244353133.db2.gz BASNINNGBSKTGB-DGCLKSJQSA-N 1 3 343.265 2.683 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628294 203270167 /nfs/dbraw/zinc/27/01/67/203270167.db2.gz LZZOWTXMYGPXOD-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)N ZINC000414798707 244358203 /nfs/dbraw/zinc/35/82/03/244358203.db2.gz FNMPYZUCPZPVBR-JTQLQIEISA-N 1 3 333.354 2.629 20 0 EFADHO COC[C@]1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CCCN1 ZINC000414945613 244397747 /nfs/dbraw/zinc/39/77/47/244397747.db2.gz QSLOUWNXKKJQRU-CZUORRHYSA-N 1 3 341.293 2.911 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414945397 244398532 /nfs/dbraw/zinc/39/85/32/244398532.db2.gz IGDGPRCLPXHRKA-KEYYUXOJSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414945397 244398538 /nfs/dbraw/zinc/39/85/38/244398538.db2.gz IGDGPRCLPXHRKA-KEYYUXOJSA-N 1 3 337.895 2.807 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538813 203317526 /nfs/dbraw/zinc/31/75/26/203317526.db2.gz AJWPMFSMZZXMLP-KRWDZBQOSA-N 1 3 332.492 2.944 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538813 203317528 /nfs/dbraw/zinc/31/75/28/203317528.db2.gz AJWPMFSMZZXMLP-KRWDZBQOSA-N 1 3 332.492 2.944 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416849288 244874628 /nfs/dbraw/zinc/87/46/28/244874628.db2.gz XUOSYOPZAWDJNJ-RTBURBONSA-N 1 3 346.519 2.901 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417021754 244979369 /nfs/dbraw/zinc/97/93/69/244979369.db2.gz KDSKCEOCJSWQED-MOPGFXCFSA-N 1 3 344.503 2.655 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362590084 284215791 /nfs/dbraw/zinc/21/57/91/284215791.db2.gz IWEQWWSXTZIVHG-RAUXBKROSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000362590084 284215795 /nfs/dbraw/zinc/21/57/95/284215795.db2.gz IWEQWWSXTZIVHG-RAUXBKROSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417224409 245053513 /nfs/dbraw/zinc/05/35/13/245053513.db2.gz UWDRQZOYLSDYOI-RYRKJORJSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])C1 ZINC000417225846 245053719 /nfs/dbraw/zinc/05/37/19/245053719.db2.gz YRGZLUHKYVMKOG-PSBWJHGTSA-N 1 3 344.503 2.591 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](CN1CCCC1)c1ccccc1 ZINC000262680781 245117110 /nfs/dbraw/zinc/11/71/10/245117110.db2.gz WXOOIIMIDXJRQP-ZNBHLAFESA-N 1 3 341.499 2.860 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418314326 245119950 /nfs/dbraw/zinc/11/99/50/245119950.db2.gz SCFCCUFQQJGBGA-AEFFLSMTSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328495 245123800 /nfs/dbraw/zinc/12/38/00/245123800.db2.gz ASHUCQWLUGZOBC-LPHOPBHVSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](NC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000418335535 245125912 /nfs/dbraw/zinc/12/59/12/245125912.db2.gz HKTKNFCYFZELGR-KYNGSXCRSA-N 1 3 340.471 2.527 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342955 245130073 /nfs/dbraw/zinc/13/00/73/245130073.db2.gz JBNIHVCHVNZCJA-KRWDZBQOSA-N 1 3 346.519 2.586 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000418350726 245131313 /nfs/dbraw/zinc/13/13/13/245131313.db2.gz LPSABYACNCGCLL-SFHVURJKSA-N 1 3 346.519 2.936 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000418365423 245137219 /nfs/dbraw/zinc/13/72/19/245137219.db2.gz XKHBXTNEHSMICZ-LJQANCHMSA-N 1 3 346.519 2.937 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418370614 245138630 /nfs/dbraw/zinc/13/86/30/245138630.db2.gz OWGNTCMJSLHZON-QGZVFWFLSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC1CCC([NH3+])CC1 ZINC000418381972 245141403 /nfs/dbraw/zinc/14/14/03/245141403.db2.gz HFFLPXLRIHXASB-UHFFFAOYSA-N 1 3 332.492 2.550 20 0 EFADHO CCCN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000418495574 245175076 /nfs/dbraw/zinc/17/50/76/245175076.db2.gz BLPPUTDEFHTNKD-RBUKOAKNSA-N 1 3 340.471 2.623 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418501414 245176781 /nfs/dbraw/zinc/17/67/81/245176781.db2.gz QUBBKAXSUHLBPX-RTBURBONSA-N 1 3 340.471 2.575 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418502836 245176810 /nfs/dbraw/zinc/17/68/10/245176810.db2.gz WKEHSHYECSORQN-KYNGSXCRSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502424 245177480 /nfs/dbraw/zinc/17/74/80/245177480.db2.gz VMZWJCXZCMFOPK-HNAYVOBHSA-N 1 3 340.471 2.575 20 0 EFADHO CCCN(C(=O)NCCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418507178 245179169 /nfs/dbraw/zinc/17/91/69/245179169.db2.gz IIJFGGZTCYCFDQ-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418503857 245179512 /nfs/dbraw/zinc/17/95/12/245179512.db2.gz ZVXSVXMWTSFDEL-GDIGMMSISA-N 1 3 340.471 2.751 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418432676 245154759 /nfs/dbraw/zinc/15/47/59/245154759.db2.gz ZWHKLQHHQORATB-MJGOQNOKSA-N 1 3 346.519 2.666 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418446220 245160185 /nfs/dbraw/zinc/16/01/85/245160185.db2.gz ALDCOGPXXDUOQZ-RBUKOAKNSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418448956 245162404 /nfs/dbraw/zinc/16/24/04/245162404.db2.gz RPSDESHPVHAFIE-GOSISDBHSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418562603 245194063 /nfs/dbraw/zinc/19/40/63/245194063.db2.gz GMOGAUNCOFCBIT-OTWHNJEPSA-N 1 3 344.503 2.562 20 0 EFADHO CCN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418566168 245195771 /nfs/dbraw/zinc/19/57/71/245195771.db2.gz ADRBNIQTDNGAEG-QRVBRYPASA-N 1 3 344.503 2.562 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418606412 245210781 /nfs/dbraw/zinc/21/07/81/245210781.db2.gz VSQRMYLTWMXTAX-UHFFFAOYSA-N 1 3 336.524 2.594 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418536065 245186793 /nfs/dbraw/zinc/18/67/93/245186793.db2.gz IDUAGMLAAVYYGF-LJQANCHMSA-N 1 3 338.540 2.674 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418622294 245216246 /nfs/dbraw/zinc/21/62/46/245216246.db2.gz MYNKXIBZTRWAAP-IBGZPJMESA-N 1 3 346.519 2.797 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H]1NCCc2ccccc21)C(C)C ZINC000418634739 245220092 /nfs/dbraw/zinc/22/00/92/245220092.db2.gz JTEPJDZTIIBLTF-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000262872009 245223845 /nfs/dbraw/zinc/22/38/45/245223845.db2.gz MKSHCMUYIRAMFW-FUHIMQAGSA-N 1 3 343.515 2.586 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000418646829 245224807 /nfs/dbraw/zinc/22/48/07/245224807.db2.gz FVZUKSMRUFMDBA-HNAYVOBHSA-N 1 3 346.519 2.621 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000418655910 245230142 /nfs/dbraw/zinc/23/01/42/245230142.db2.gz RNWLOSSDJSGFEG-HHXXYDBFSA-N 1 3 346.519 2.763 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000418655910 245230150 /nfs/dbraw/zinc/23/01/50/245230150.db2.gz RNWLOSSDJSGFEG-HHXXYDBFSA-N 1 3 346.519 2.763 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](N)c2ccccc2CC)CC1 ZINC000418656473 245231573 /nfs/dbraw/zinc/23/15/73/245231573.db2.gz SMGNKOFHZCBDAG-LJQANCHMSA-N 1 3 346.519 2.765 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)C1 ZINC000418654946 245231713 /nfs/dbraw/zinc/23/17/13/245231713.db2.gz QESIHSPJBRXJEG-QFBILLFUSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccccc2CC)C1 ZINC000418654946 245231719 /nfs/dbraw/zinc/23/17/19/245231719.db2.gz QESIHSPJBRXJEG-QFBILLFUSA-N 1 3 346.519 2.622 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418705138 245253520 /nfs/dbraw/zinc/25/35/20/245253520.db2.gz ABBOTIXGOBQMQZ-QZTJIDSGSA-N 1 3 338.540 2.802 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418714356 245256189 /nfs/dbraw/zinc/25/61/89/245256189.db2.gz XYJQIWYWNWAVCA-ROUUACIJSA-N 1 3 346.519 2.667 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418714357 245256360 /nfs/dbraw/zinc/25/63/60/245256360.db2.gz XYJQIWYWNWAVCA-ZWKOTPCHSA-N 1 3 346.519 2.667 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418714354 245256744 /nfs/dbraw/zinc/25/67/44/245256744.db2.gz XYJQIWYWNWAVCA-MSOLQXFVSA-N 1 3 346.519 2.667 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418680244 245242611 /nfs/dbraw/zinc/24/26/11/245242611.db2.gz UJEXKAKTDFGRAI-SFHVURJKSA-N 1 3 332.492 2.592 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418685121 245245381 /nfs/dbraw/zinc/24/53/81/245245381.db2.gz IDLHAHBOKMUONB-HKUYNNGSSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000418747201 245270797 /nfs/dbraw/zinc/27/07/97/245270797.db2.gz JCQLDESTENCFMJ-IBGZPJMESA-N 1 3 346.519 2.600 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418777029 245287245 /nfs/dbraw/zinc/28/72/45/245287245.db2.gz UXVPJADVJIOLFX-GOSISDBHSA-N 1 3 346.519 2.728 20 0 EFADHO CCN(CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CC1 ZINC000101979658 204028550 /nfs/dbraw/zinc/02/85/50/204028550.db2.gz RQFARPGKJVDXFR-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000101979658 204028554 /nfs/dbraw/zinc/02/85/54/204028554.db2.gz RQFARPGKJVDXFR-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000042341516 204089385 /nfs/dbraw/zinc/08/93/85/204089385.db2.gz HJPVXHCBLSYPOA-DOMZBBRYSA-N 1 3 327.266 2.556 20 0 EFADHO CN(C)C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000263257428 245372193 /nfs/dbraw/zinc/37/21/93/245372193.db2.gz RDJCKQQXTHOZDX-WHBLYCTDSA-N 1 3 329.488 2.559 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]ccc2c1 ZINC000107583153 204240331 /nfs/dbraw/zinc/24/03/31/204240331.db2.gz XLLAGZYKCMOWGY-SFHVURJKSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2[nH]ccc2c1 ZINC000107583153 204240334 /nfs/dbraw/zinc/24/03/34/204240334.db2.gz XLLAGZYKCMOWGY-SFHVURJKSA-N 1 3 342.487 2.656 20 0 EFADHO [NH3+]C[C@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000044531155 204301399 /nfs/dbraw/zinc/30/13/99/204301399.db2.gz SXMYKJBBKXJWFZ-LLVKDONJSA-N 1 3 330.259 2.993 20 0 EFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000044531153 204301898 /nfs/dbraw/zinc/30/18/98/204301898.db2.gz PQBZAZRCKNTQKC-NSHDSACASA-N 1 3 330.259 2.993 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111439178 204357004 /nfs/dbraw/zinc/35/70/04/204357004.db2.gz DUWQZIAFKPDFCC-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000237600257 204684552 /nfs/dbraw/zinc/68/45/52/204684552.db2.gz COSNCBBAEPQVRA-HOTGVXAUSA-N 1 3 333.476 2.591 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000121055714 204776849 /nfs/dbraw/zinc/77/68/49/204776849.db2.gz MDAYAKCGRFZOMC-NRFANRHFSA-N 1 3 345.531 2.634 20 0 EFADHO CCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000358601545 284334349 /nfs/dbraw/zinc/33/43/49/284334349.db2.gz YDYMPHDTMYEREH-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO CCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000358601545 284334352 /nfs/dbraw/zinc/33/43/52/284334352.db2.gz YDYMPHDTMYEREH-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO COCC[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125337323 205006063 /nfs/dbraw/zinc/00/60/63/205006063.db2.gz DAEHHBNJIMTRSH-IBGZPJMESA-N 1 3 333.520 2.912 20 0 EFADHO CN(CCSc1ccccc1F)CCN(C)C1CC[NH+](C)CC1 ZINC000126461217 205058071 /nfs/dbraw/zinc/05/80/71/205058071.db2.gz SNOLWYOSOJCCEX-UHFFFAOYSA-N 1 3 339.524 2.876 20 0 EFADHO CC(C)N1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000127025026 205080848 /nfs/dbraw/zinc/08/08/48/205080848.db2.gz NXVAHIAHFNWUNY-UHFFFAOYSA-N 1 3 344.547 2.743 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126872301 205075699 /nfs/dbraw/zinc/07/56/99/205075699.db2.gz BQLUFGHPTPGCAB-UHFFFAOYSA-N 1 3 330.472 2.844 20 0 EFADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@@H](C)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320085 296203950 /nfs/dbraw/zinc/20/39/50/296203950.db2.gz NKTOEUIBTMXTDU-JGOWZFCDSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@@H](C)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320085 296203952 /nfs/dbraw/zinc/20/39/52/296203952.db2.gz NKTOEUIBTMXTDU-JGOWZFCDSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@@H]1[C@@H](C)O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320085 296203953 /nfs/dbraw/zinc/20/39/53/296203953.db2.gz NKTOEUIBTMXTDU-JGOWZFCDSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@@H]1[C@@H](C)O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320085 296203955 /nfs/dbraw/zinc/20/39/55/296203955.db2.gz NKTOEUIBTMXTDU-JGOWZFCDSA-N 1 3 340.552 2.585 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000421700476 246068915 /nfs/dbraw/zinc/06/89/15/246068915.db2.gz FBNVCYYJBXWVTH-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264118670 246081032 /nfs/dbraw/zinc/08/10/32/246081032.db2.gz CKFPYHLHMBRAHZ-KRWDZBQOSA-N 1 3 329.488 2.887 20 0 EFADHO [NH3+]C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000155740800 206031286 /nfs/dbraw/zinc/03/12/86/206031286.db2.gz MBJFHVPTERNRBG-IBGZPJMESA-N 1 3 329.488 2.920 20 0 EFADHO [NH3+]C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C1CCCCC1 ZINC000155740925 206031799 /nfs/dbraw/zinc/03/17/99/206031799.db2.gz MBJFHVPTERNRBG-LJQANCHMSA-N 1 3 329.488 2.920 20 0 EFADHO COc1ccc([C@@H](NCCN2CCC([NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421839527 246135119 /nfs/dbraw/zinc/13/51/19/246135119.db2.gz XJXGHSBCWDDAKT-FQEVSTJZSA-N 1 3 349.494 2.901 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CCCC1 ZINC000421842131 246136249 /nfs/dbraw/zinc/13/62/49/246136249.db2.gz MQZLSZGZCFNMGI-LPHOPBHVSA-N 1 3 332.488 2.691 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000422032343 246230019 /nfs/dbraw/zinc/23/00/19/246230019.db2.gz FIRJOHJXASWJER-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000422032343 246230024 /nfs/dbraw/zinc/23/00/24/246230024.db2.gz FIRJOHJXASWJER-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158074562 206171872 /nfs/dbraw/zinc/17/18/72/206171872.db2.gz GPWLMZFGDHPCSQ-GXTWGEPZSA-N 1 3 339.867 2.750 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158074562 206171876 /nfs/dbraw/zinc/17/18/76/206171876.db2.gz GPWLMZFGDHPCSQ-GXTWGEPZSA-N 1 3 339.867 2.750 20 0 EFADHO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000158211221 206179197 /nfs/dbraw/zinc/17/91/97/206179197.db2.gz MXQVAEDIYKGPLD-MRXNPFEDSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422730886 246434967 /nfs/dbraw/zinc/43/49/67/246434967.db2.gz MPZLDBOMIUWBGO-XQQFMLRXSA-N 1 3 331.382 2.879 20 0 EFADHO COc1cc2[nH]c(CCCN[C@H]3C[NH2+]CC[C@H]3C)cc2c(OC)c1 ZINC000422869117 246495582 /nfs/dbraw/zinc/49/55/82/246495582.db2.gz WDZHGORIKTZUCO-ACJLOTCBSA-N 1 3 331.460 2.705 20 0 EFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])co2)cc1 ZINC000422878540 246496901 /nfs/dbraw/zinc/49/69/01/246496901.db2.gz KEWUEFOJWHHCSK-BMGDILEWSA-N 1 3 329.444 2.534 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882513 246498951 /nfs/dbraw/zinc/49/89/51/246498951.db2.gz AVAABYLEJYREIP-CWFSZBLJSA-N 1 3 328.456 2.951 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCCOc1ccc2ccccc2c1 ZINC000422882513 246498957 /nfs/dbraw/zinc/49/89/57/246498957.db2.gz AVAABYLEJYREIP-CWFSZBLJSA-N 1 3 328.456 2.951 20 0 EFADHO COC[C@H](CCC[NH3+])N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017053 246544720 /nfs/dbraw/zinc/54/47/20/246544720.db2.gz NVZGBWZHJMDOQN-APHBMKBZSA-N 1 3 330.831 2.653 20 0 EFADHO Cn1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423051879 246554867 /nfs/dbraw/zinc/55/48/67/246554867.db2.gz OMBQBECOMKSQMU-IPMKNSEASA-N 1 3 345.462 2.607 20 0 EFADHO COCC1(CN[C@H](C)c2ncc(Br)s2)CC[NH2+]CC1 ZINC000423401641 246627253 /nfs/dbraw/zinc/62/72/53/246627253.db2.gz GKMXNICOARVWFG-SNVBAGLBSA-N 1 3 348.310 2.572 20 0 EFADHO CC(C)n1cc2c(n1)C[C@H](NCc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425900024 247209608 /nfs/dbraw/zinc/20/96/08/247209608.db2.gz MXDDFSASFSYHGE-MRXNPFEDSA-N 1 3 343.475 2.566 20 0 EFADHO COc1cccc(CCCNCc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425903830 247211141 /nfs/dbraw/zinc/21/11/41/247211141.db2.gz WUUCUMRBKJXEDI-UHFFFAOYSA-N 1 3 329.444 2.873 20 0 EFADHO O=C(CN1CC[C@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426456249 247280775 /nfs/dbraw/zinc/28/07/75/247280775.db2.gz VGTQOMPCUQPQCV-WOJBJXKFSA-N 1 3 341.499 2.773 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000427283060 247333169 /nfs/dbraw/zinc/33/31/69/247333169.db2.gz VRSPYPRCVCHOGT-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427302276 247335133 /nfs/dbraw/zinc/33/51/33/247335133.db2.gz OUDNGXFJDNCTHP-ZHALLVOQSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000427304717 247337021 /nfs/dbraw/zinc/33/70/21/247337021.db2.gz MTYZIBKUMKNIRP-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(C[C@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332402 247338814 /nfs/dbraw/zinc/33/88/14/247338814.db2.gz UEBXAZSPCVUYDQ-CTNGQTDRSA-N 1 3 341.499 2.501 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000427333100 247339761 /nfs/dbraw/zinc/33/97/61/247339761.db2.gz XFHFGIRYEBOVAK-DLBZAZTESA-N 1 3 349.544 2.856 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000431063034 247867592 /nfs/dbraw/zinc/86/75/92/247867592.db2.gz WPTXMKBIMKLDNL-PIKOESSRSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000063757714 284576649 /nfs/dbraw/zinc/57/66/49/284576649.db2.gz ZYCZZDKEAGPQQI-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000433308093 248041819 /nfs/dbraw/zinc/04/18/19/248041819.db2.gz WXGUXBOOJSQJEW-NJAFHUGGSA-N 1 3 346.519 2.700 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433913560 248101942 /nfs/dbraw/zinc/10/19/42/248101942.db2.gz DLZZXYQFXRANMK-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000433913560 248101943 /nfs/dbraw/zinc/10/19/43/248101943.db2.gz DLZZXYQFXRANMK-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434354856 248145759 /nfs/dbraw/zinc/14/57/59/248145759.db2.gz LBDQZUXBSZUBSJ-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434354856 248145762 /nfs/dbraw/zinc/14/57/62/248145762.db2.gz LBDQZUXBSZUBSJ-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434672014 248176734 /nfs/dbraw/zinc/17/67/34/248176734.db2.gz XCKJKLFNDAXRFT-ZRGWGRIASA-N 1 3 325.456 2.829 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434672008 248177030 /nfs/dbraw/zinc/17/70/30/248177030.db2.gz XCKJKLFNDAXRFT-CLCXKQKWSA-N 1 3 325.456 2.829 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000433925623 248104536 /nfs/dbraw/zinc/10/45/36/248104536.db2.gz HNHUWRHLXGGGNH-GOSISDBHSA-N 1 3 338.540 2.811 20 0 EFADHO C[C@@H](CN1CCOCC1)N(C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000435047936 248206895 /nfs/dbraw/zinc/20/68/95/248206895.db2.gz FKLVFQVEARBIKE-IBGZPJMESA-N 1 3 347.547 2.797 20 0 EFADHO C[C@@H](CN1CCOCC1)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000435047936 248206897 /nfs/dbraw/zinc/20/68/97/248206897.db2.gz FKLVFQVEARBIKE-IBGZPJMESA-N 1 3 347.547 2.797 20 0 EFADHO CCCc1cccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000435370964 248231073 /nfs/dbraw/zinc/23/10/73/248231073.db2.gz KPHJDNYCHVVRTQ-PMACEKPBSA-N 1 3 343.515 2.719 20 0 EFADHO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCNCC1 ZINC000435612182 249385356 /nfs/dbraw/zinc/38/53/56/249385356.db2.gz VXRXXZKMXRYJKZ-GOSISDBHSA-N 1 3 342.491 2.584 20 0 EFADHO C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@@H]1CCCNCC1 ZINC000435612182 249385360 /nfs/dbraw/zinc/38/53/60/249385360.db2.gz VXRXXZKMXRYJKZ-GOSISDBHSA-N 1 3 342.491 2.584 20 0 EFADHO CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)CC1 ZINC000431879817 284680383 /nfs/dbraw/zinc/68/03/83/284680383.db2.gz VTPCHBFIOSRBIU-WMZOPIPTSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000442789835 250118392 /nfs/dbraw/zinc/11/83/92/250118392.db2.gz HTXROBHMHCXNRS-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000442789835 250118395 /nfs/dbraw/zinc/11/83/95/250118395.db2.gz HTXROBHMHCXNRS-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442871538 250133909 /nfs/dbraw/zinc/13/39/09/250133909.db2.gz LXWLYLPCGNBNIL-AWEZNQCLSA-N 1 3 341.446 2.965 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCCC2 ZINC000442888598 250136421 /nfs/dbraw/zinc/13/64/21/250136421.db2.gz GSZFCYSQIWGFAM-ZWKOTPCHSA-N 1 3 337.552 2.730 20 0 EFADHO [NH3+]CC[C@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000443057811 250155041 /nfs/dbraw/zinc/15/50/41/250155041.db2.gz ICOLPUHTMARQFE-QGZVFWFLSA-N 1 3 329.488 2.874 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443078633 250158541 /nfs/dbraw/zinc/15/85/41/250158541.db2.gz XELNXDVZKSJCJJ-OWCLPIDISA-N 1 3 335.517 2.861 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C/CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308482 250183280 /nfs/dbraw/zinc/18/32/80/250183280.db2.gz KHWUXWPUEWLEPH-FXDLEVTASA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C/CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308482 250183284 /nfs/dbraw/zinc/18/32/84/250183284.db2.gz KHWUXWPUEWLEPH-FXDLEVTASA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1C/C=C/C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308482 250183287 /nfs/dbraw/zinc/18/32/87/250183287.db2.gz KHWUXWPUEWLEPH-FXDLEVTASA-N 1 3 338.536 2.505 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CCN1C/C=C/C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443308482 250183292 /nfs/dbraw/zinc/18/32/92/250183292.db2.gz KHWUXWPUEWLEPH-FXDLEVTASA-N 1 3 338.536 2.505 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000444164934 250267766 /nfs/dbraw/zinc/26/77/66/250267766.db2.gz GUUJZLDDRMUBBL-CABCVRRESA-N 1 3 343.393 2.566 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000444615530 250318282 /nfs/dbraw/zinc/31/82/82/250318282.db2.gz AAVWRQSJDDFACE-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000444615530 250318285 /nfs/dbraw/zinc/31/82/85/250318285.db2.gz AAVWRQSJDDFACE-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000449221572 250959867 /nfs/dbraw/zinc/95/98/67/250959867.db2.gz UDIXIUUPDPGXNO-KRWDZBQOSA-N 1 3 348.487 2.586 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449656437 251098749 /nfs/dbraw/zinc/09/87/49/251098749.db2.gz KWCRXNQIGMJTBQ-KZNAEPCWSA-N 1 3 334.508 2.843 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000449727586 251131730 /nfs/dbraw/zinc/13/17/30/251131730.db2.gz QQWOKYWILLVPEO-LSTHTHJFSA-N 1 3 343.515 2.573 20 0 EFADHO CC[NH+](CC)CCNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175489108 207132977 /nfs/dbraw/zinc/13/29/77/207132977.db2.gz LTUNSLKCVBXKSD-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000267575655 251164120 /nfs/dbraw/zinc/16/41/20/251164120.db2.gz LLIRBJNZYGLMCT-UXHICEINSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCCCCC1 ZINC000175783233 207160043 /nfs/dbraw/zinc/16/00/43/207160043.db2.gz DJGSELILEDBQLA-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176198331 207200381 /nfs/dbraw/zinc/20/03/81/207200381.db2.gz PZOBOEPWDOVZIQ-QGZVFWFLSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176198331 207200383 /nfs/dbraw/zinc/20/03/83/207200383.db2.gz PZOBOEPWDOVZIQ-QGZVFWFLSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267771736 251331844 /nfs/dbraw/zinc/33/18/44/251331844.db2.gz GNQJZVZTNZQBQJ-FGTMMUONSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267771736 251331846 /nfs/dbraw/zinc/33/18/46/251331846.db2.gz GNQJZVZTNZQBQJ-FGTMMUONSA-N 1 3 343.515 2.744 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000450383708 251368768 /nfs/dbraw/zinc/36/87/68/251368768.db2.gz AKBVONUZJGGHFX-ROUUACIJSA-N 1 3 338.879 2.781 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000450383708 251368771 /nfs/dbraw/zinc/36/87/71/251368771.db2.gz AKBVONUZJGGHFX-ROUUACIJSA-N 1 3 338.879 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000450315447 251341987 /nfs/dbraw/zinc/34/19/87/251341987.db2.gz DWJFRVUTXDWXKI-FQEVSTJZSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(CCN2CCOCC2)CC1 ZINC000450315447 251341989 /nfs/dbraw/zinc/34/19/89/251341989.db2.gz DWJFRVUTXDWXKI-FQEVSTJZSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CCN2CCOCC2)CC1 ZINC000450315447 251341992 /nfs/dbraw/zinc/34/19/92/251341992.db2.gz DWJFRVUTXDWXKI-FQEVSTJZSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915571 207274482 /nfs/dbraw/zinc/27/44/82/207274482.db2.gz BUHKJBNYOFOUMD-SXLOBPIMSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176915571 207274487 /nfs/dbraw/zinc/27/44/87/207274487.db2.gz BUHKJBNYOFOUMD-SXLOBPIMSA-N 1 3 334.504 2.757 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OC(F)F)cc1 ZINC000177374199 207328501 /nfs/dbraw/zinc/32/85/01/207328501.db2.gz FTAMEELLTZBFIK-UHFFFAOYSA-N 1 3 341.446 2.746 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1OC ZINC000268710913 252161299 /nfs/dbraw/zinc/16/12/99/252161299.db2.gz DSMRTLJRQVTEMD-MRXNPFEDSA-N 1 3 336.476 2.857 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@H](C)OC)cc1OC ZINC000268773798 252223092 /nfs/dbraw/zinc/22/30/92/252223092.db2.gz AMKDZAKJSRGXNM-CVEARBPZSA-N 1 3 338.492 2.929 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801558 252255482 /nfs/dbraw/zinc/25/54/82/252255482.db2.gz HUCZXXDXWOOJTF-IRXDYDNUSA-N 1 3 329.488 2.658 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801558 252255487 /nfs/dbraw/zinc/25/54/87/252255487.db2.gz HUCZXXDXWOOJTF-IRXDYDNUSA-N 1 3 329.488 2.658 20 0 EFADHO CC1(C)C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C(C)(C)O1 ZINC000268818243 252269360 /nfs/dbraw/zinc/26/93/60/252269360.db2.gz OKALPHYTORLUHM-SFHVURJKSA-N 1 3 346.519 2.529 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818504 252269746 /nfs/dbraw/zinc/26/97/46/252269746.db2.gz GWIWJZGHOHHUGT-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818504 252269751 /nfs/dbraw/zinc/26/97/51/252269751.db2.gz GWIWJZGHOHHUGT-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818504 252269756 /nfs/dbraw/zinc/26/97/56/252269756.db2.gz GWIWJZGHOHHUGT-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO COCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268809319 252261234 /nfs/dbraw/zinc/26/12/34/252261234.db2.gz NHJHXQVWQXFNHT-RXVVDRJESA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnn(C)c1 ZINC000268848395 252296019 /nfs/dbraw/zinc/29/60/19/252296019.db2.gz FGKFKXNQHAPILV-IBGZPJMESA-N 1 3 330.476 2.644 20 0 EFADHO CC[C@@H](C)NC(=O)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268832719 252281488 /nfs/dbraw/zinc/28/14/88/252281488.db2.gz XBKUAAUPDYGGDG-HZPDHXFCSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268832720 252282278 /nfs/dbraw/zinc/28/22/78/252282278.db2.gz XBKUAAUPDYGGDG-JKSUJKDBSA-N 1 3 335.492 2.582 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1)C1CC1 ZINC000299740198 285097941 /nfs/dbraw/zinc/09/79/41/285097941.db2.gz WUMFHOBIZZXBQD-KXBFYZLASA-N 1 3 329.488 2.870 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)CCCC1 ZINC000341105024 285244284 /nfs/dbraw/zinc/24/42/84/285244284.db2.gz NGUHJFURORMFRI-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C)CCCC1 ZINC000341105024 285244285 /nfs/dbraw/zinc/24/42/85/285244285.db2.gz NGUHJFURORMFRI-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000341042318 285257839 /nfs/dbraw/zinc/25/78/39/285257839.db2.gz BJZYYGJGARRXHE-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCCC2 ZINC000357072711 285280115 /nfs/dbraw/zinc/28/01/15/285280115.db2.gz QWAFEZCSAQPICM-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CC12CCCCC2 ZINC000357072711 285280117 /nfs/dbraw/zinc/28/01/17/285280117.db2.gz QWAFEZCSAQPICM-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C(C)C)nc1C ZINC000349061339 285282730 /nfs/dbraw/zinc/28/27/30/285282730.db2.gz IYHVMEXTILLVSP-IBGZPJMESA-N 1 3 335.540 2.620 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C(C)C)nc1C ZINC000349061339 285282732 /nfs/dbraw/zinc/28/27/32/285282732.db2.gz IYHVMEXTILLVSP-IBGZPJMESA-N 1 3 335.540 2.620 20 0 EFADHO C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868484 221199768 /nfs/dbraw/zinc/19/97/68/221199768.db2.gz QVXUDRXYXGNWJN-HNNXBMFYSA-N 1 3 349.544 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2OC)CC1 ZINC000341286367 285339258 /nfs/dbraw/zinc/33/92/58/285339258.db2.gz KNLDRXMEGLJEJL-AZUAARDMSA-N 1 3 331.504 2.733 20 0 EFADHO COc1ccc2c(c1)[C@@H](NCCN1CCC([NH+](C)C)CC1)CCS2 ZINC000191522167 533288600 /nfs/dbraw/zinc/28/86/00/533288600.db2.gz IRGVCUIBGVREJC-SFHVURJKSA-N 1 3 349.544 2.848 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](c2ncccc2C)C(C)C)CC[NH2+]CC1 ZINC000422749080 285666863 /nfs/dbraw/zinc/66/68/63/285666863.db2.gz XKQNXDNTOVRKKE-IRXDYDNUSA-N 1 3 347.503 2.998 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000126406314 141366959 /nfs/dbraw/zinc/36/69/59/141366959.db2.gz NFWRMASNKMSZGM-QFBILLFUSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000126406314 141366960 /nfs/dbraw/zinc/36/69/60/141366960.db2.gz NFWRMASNKMSZGM-QFBILLFUSA-N 1 3 331.504 2.875 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000343458897 142002092 /nfs/dbraw/zinc/00/20/92/142002092.db2.gz GXMMFYSYYDBSNR-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000343458897 142002093 /nfs/dbraw/zinc/00/20/93/142002093.db2.gz GXMMFYSYYDBSNR-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO COc1ccc(CNCC2(O)CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000344627885 142051738 /nfs/dbraw/zinc/05/17/38/142051738.db2.gz GPFOHUZAOSJOQC-UHFFFAOYSA-N 1 3 326.868 2.674 20 0 EFADHO CC[C@@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000344644458 142054469 /nfs/dbraw/zinc/05/44/69/142054469.db2.gz OJWWQKCYHHIWDD-QKLQHJQFSA-N 1 3 343.515 2.812 20 0 EFADHO CC[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000344644458 142054471 /nfs/dbraw/zinc/05/44/71/142054471.db2.gz OJWWQKCYHHIWDD-QKLQHJQFSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000346119520 142149276 /nfs/dbraw/zinc/14/92/76/142149276.db2.gz HNLNUTUPJKGJCU-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171830 142160926 /nfs/dbraw/zinc/16/09/26/142160926.db2.gz BJUNREMUSSWILH-BXWFABGCSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171830 142160928 /nfs/dbraw/zinc/16/09/28/142160928.db2.gz BJUNREMUSSWILH-BXWFABGCSA-N 1 3 329.488 2.551 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346266932 142179673 /nfs/dbraw/zinc/17/96/73/142179673.db2.gz BLCRCGQTRBXUGO-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H](CC[NH2+]C1CCN(Cc2cccnc2)CC1)N1CCCCC1 ZINC000346281061 142182209 /nfs/dbraw/zinc/18/22/09/142182209.db2.gz UQSRZTMLSNURSP-GOSISDBHSA-N 1 3 330.520 2.900 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347455998 142219660 /nfs/dbraw/zinc/21/96/60/142219660.db2.gz VRFIPDXKYLRRRK-CALCHBBNSA-N 1 3 344.503 2.629 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347513906 142229070 /nfs/dbraw/zinc/22/90/70/142229070.db2.gz ZTNFZEMGMFFBMG-HUUCEWRRSA-N 1 3 329.488 2.776 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc4c(c3)CNC4)C2)CC1 ZINC000347536191 142232403 /nfs/dbraw/zinc/23/24/03/142232403.db2.gz ZQXUAWJKIPXGEQ-KRWDZBQOSA-N 1 3 341.499 2.874 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000347693299 142257644 /nfs/dbraw/zinc/25/76/44/142257644.db2.gz PSHNLLVZRLLDME-GOSISDBHSA-N 1 3 340.556 2.915 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744349 142265440 /nfs/dbraw/zinc/26/54/40/142265440.db2.gz SJXYAVNQJBWGDT-CALCHBBNSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000347930027 142294660 /nfs/dbraw/zinc/29/46/60/142294660.db2.gz KBKIBWNYONAVEP-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347930027 142294661 /nfs/dbraw/zinc/29/46/61/142294661.db2.gz KBKIBWNYONAVEP-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000348077849 142317742 /nfs/dbraw/zinc/31/77/42/142317742.db2.gz PHJSTNHCUNJTMT-GOSISDBHSA-N 1 3 333.451 2.504 20 0 EFADHO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000349320204 142320349 /nfs/dbraw/zinc/32/03/49/142320349.db2.gz UPBQXBLPGSZPLG-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO COc1ccc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000349320199 142320480 /nfs/dbraw/zinc/32/04/80/142320480.db2.gz UPBQXBLPGSZPLG-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO C[C@@H](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349611328 142340026 /nfs/dbraw/zinc/34/00/26/142340026.db2.gz NSQISQJTDJESJM-OKZBNKHCSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349611328 142340028 /nfs/dbraw/zinc/34/00/28/142340028.db2.gz NSQISQJTDJESJM-OKZBNKHCSA-N 1 3 331.504 2.886 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2cccnc2)CC1 ZINC000349780687 142358412 /nfs/dbraw/zinc/35/84/12/142358412.db2.gz CNBIDISMZCADSP-KRWDZBQOSA-N 1 3 346.519 2.703 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000349979084 142386393 /nfs/dbraw/zinc/38/63/93/142386393.db2.gz VRSJQZPWKRKOGC-QUCCMNQESA-N 1 3 337.552 2.541 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000349979084 142386397 /nfs/dbraw/zinc/38/63/97/142386397.db2.gz VRSJQZPWKRKOGC-QUCCMNQESA-N 1 3 337.552 2.541 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@@H]1C ZINC000341143741 145000471 /nfs/dbraw/zinc/00/04/71/145000471.db2.gz VTXDBVJBHIPFBC-DOTOQJQBSA-N 1 3 334.460 2.543 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@@H]1C ZINC000341143741 145000473 /nfs/dbraw/zinc/00/04/73/145000473.db2.gz VTXDBVJBHIPFBC-DOTOQJQBSA-N 1 3 334.460 2.543 20 0 EFADHO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000341278117 145025099 /nfs/dbraw/zinc/02/50/99/145025099.db2.gz UIMHDEMSVQOYAF-UZLBHIALSA-N 1 3 331.504 2.589 20 0 EFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3ncc[nH]3)cc2)C[C@H]1C ZINC000341279929 145025521 /nfs/dbraw/zinc/02/55/21/145025521.db2.gz UBNIQVLEKGPYSI-CALCHBBNSA-N 1 3 342.487 2.709 20 0 EFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3ncc[nH]3)cc2)C[C@H]1C ZINC000341279929 145025523 /nfs/dbraw/zinc/02/55/23/145025523.db2.gz UBNIQVLEKGPYSI-CALCHBBNSA-N 1 3 342.487 2.709 20 0 EFADHO COc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1OC ZINC000342110041 145063793 /nfs/dbraw/zinc/06/37/93/145063793.db2.gz WEDGMWMBPVTDGI-INIZCTEOSA-N 1 3 348.487 2.603 20 0 EFADHO CO[C@@H]1C[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000423173644 285862386 /nfs/dbraw/zinc/86/23/86/285862386.db2.gz ZNJFCIDBADVDEA-QXCFHYIPSA-N 1 3 328.456 2.790 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1)C1CC1 ZINC000342606475 145158330 /nfs/dbraw/zinc/15/83/30/145158330.db2.gz MKIKKXYSSRZAGL-HXUWFJFHSA-N 1 3 329.488 2.790 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000342616566 145159945 /nfs/dbraw/zinc/15/99/45/145159945.db2.gz NOAQZXIBDAYMHO-CTNGQTDRSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000342616566 145159947 /nfs/dbraw/zinc/15/99/47/145159947.db2.gz NOAQZXIBDAYMHO-CTNGQTDRSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000342616567 145160359 /nfs/dbraw/zinc/16/03/59/145160359.db2.gz NOAQZXIBDAYMHO-TZIWHRDSSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000342616567 145160361 /nfs/dbraw/zinc/16/03/61/145160361.db2.gz NOAQZXIBDAYMHO-TZIWHRDSSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000342632704 145163058 /nfs/dbraw/zinc/16/30/58/145163058.db2.gz MXXDOALHDYRWMZ-HSALFYBXSA-N 1 3 349.563 2.826 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000342693898 145173864 /nfs/dbraw/zinc/17/38/64/145173864.db2.gz FBTMOISCENEQQI-YTQUADARSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@]1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000342715975 145178587 /nfs/dbraw/zinc/17/85/87/145178587.db2.gz DVTZQHLFZFMHJG-PXNSSMCTSA-N 1 3 347.478 2.544 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000342716331 145178799 /nfs/dbraw/zinc/17/87/99/145178799.db2.gz COVDFZSXXUCVTO-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342765257 145188043 /nfs/dbraw/zinc/18/80/43/145188043.db2.gz NBZSAJWJLFDAEY-DKKFBQAASA-N 1 3 329.488 2.544 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343601302 145249689 /nfs/dbraw/zinc/24/96/89/145249689.db2.gz LGTUZOXEQLRTKI-YTQUADARSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCN1C ZINC000343663199 145266141 /nfs/dbraw/zinc/26/61/41/145266141.db2.gz XGKWQMGZRCCPKO-APWZRJJASA-N 1 3 344.503 2.564 20 0 EFADHO CCOC(=O)COc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000343740781 145283718 /nfs/dbraw/zinc/28/37/18/145283718.db2.gz PHXBWCBADSYTMT-UHFFFAOYSA-N 1 3 346.471 2.735 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343789849 145295318 /nfs/dbraw/zinc/29/53/18/145295318.db2.gz BPRLEEBDDKYMKO-VVLHAWIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343789849 145295319 /nfs/dbraw/zinc/29/53/19/145295319.db2.gz BPRLEEBDDKYMKO-VVLHAWIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343805095 145298917 /nfs/dbraw/zinc/29/89/17/145298917.db2.gz YDBXIKBZFKYLNJ-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343805095 145298918 /nfs/dbraw/zinc/29/89/18/145298918.db2.gz YDBXIKBZFKYLNJ-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343919541 145324701 /nfs/dbraw/zinc/32/47/01/145324701.db2.gz GCRXQCFXAKTQSQ-XPGWFJOJSA-N 1 3 331.479 2.771 20 0 EFADHO CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343924362 145325724 /nfs/dbraw/zinc/32/57/24/145325724.db2.gz NLGRPVZPPKJUQQ-QUCCMNQESA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343924362 145325725 /nfs/dbraw/zinc/32/57/25/145325725.db2.gz NLGRPVZPPKJUQQ-QUCCMNQESA-N 1 3 345.531 2.932 20 0 EFADHO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000343978730 145337583 /nfs/dbraw/zinc/33/75/83/145337583.db2.gz LCDARMCGJMSXJF-LPHOPBHVSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@@H]1N1CCN(C)CC1 ZINC000343978730 145337584 /nfs/dbraw/zinc/33/75/84/145337584.db2.gz LCDARMCGJMSXJF-LPHOPBHVSA-N 1 3 327.472 2.891 20 0 EFADHO C[NH+](C)CCOCCN[C@@H]1CCc2sc(Br)cc21 ZINC000336787825 289170064 /nfs/dbraw/zinc/17/00/64/289170064.db2.gz FWHDCSNUIUHRKB-LLVKDONJSA-N 1 3 333.295 2.666 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000344010337 145344656 /nfs/dbraw/zinc/34/46/56/145344656.db2.gz HQSXXLQMWHAGPH-PMACEKPBSA-N 1 3 345.531 2.727 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2COc3ccccc32)[C@H](C)C1 ZINC000344009899 145344762 /nfs/dbraw/zinc/34/47/62/145344762.db2.gz ZPOHFJDLIUNZPX-LMMKCTJWSA-N 1 3 332.488 2.889 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2COc3ccccc32)[C@H](C)C1 ZINC000344009899 145344763 /nfs/dbraw/zinc/34/47/63/145344763.db2.gz ZPOHFJDLIUNZPX-LMMKCTJWSA-N 1 3 332.488 2.889 20 0 EFADHO CCC1(CC)[C@@H](NCc2ccncc2OCC[NH+](C)C)C[C@@H]1OC ZINC000344091219 145365828 /nfs/dbraw/zinc/36/58/28/145365828.db2.gz QYQJDBZUOVKSQQ-ROUUACIJSA-N 1 3 335.492 2.705 20 0 EFADHO CCCCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344101601 145368549 /nfs/dbraw/zinc/36/85/49/145368549.db2.gz MNOOMKJOGBAYIP-FGTMMUONSA-N 1 3 326.525 2.653 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccs2)CC1 ZINC000348889768 146020413 /nfs/dbraw/zinc/02/04/13/146020413.db2.gz CTWIOCHRCLDXBD-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CCCC1(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000349052556 146043021 /nfs/dbraw/zinc/04/30/21/146043021.db2.gz MJYICVGGRIWZCM-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC1(CNC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000349052556 146043023 /nfs/dbraw/zinc/04/30/23/146043023.db2.gz MJYICVGGRIWZCM-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCCc1csc(CN(CC[NH+](C)C)C[C@H]2CCCN2CC)n1 ZINC000349063563 146045260 /nfs/dbraw/zinc/04/52/60/146045260.db2.gz QHFRJWLAVGEDBA-QGZVFWFLSA-N 1 3 338.565 2.944 20 0 EFADHO CCCn1nc(C)c(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000349065078 146046303 /nfs/dbraw/zinc/04/63/03/146046303.db2.gz XGJGKWZLHWCQNA-IBGZPJMESA-N 1 3 349.567 2.758 20 0 EFADHO CCCn1nc(C)c(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000349065078 146046305 /nfs/dbraw/zinc/04/63/05/146046305.db2.gz XGJGKWZLHWCQNA-IBGZPJMESA-N 1 3 349.567 2.758 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000349073831 146047286 /nfs/dbraw/zinc/04/72/86/146047286.db2.gz LITYOGGEKYRWRH-SFTDATJTSA-N 1 3 327.516 2.750 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000349086619 146050171 /nfs/dbraw/zinc/05/01/71/146050171.db2.gz DUWDMPLSNLDOJG-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000349142422 146058793 /nfs/dbraw/zinc/05/87/93/146058793.db2.gz IDMHXGPFQROTIK-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1nn(-c2ccc(Cl)cc2)cc1CNCCOCC[NH+](C)C ZINC000349262397 146072978 /nfs/dbraw/zinc/07/29/78/146072978.db2.gz BTZDVVMWYHYFQT-UHFFFAOYSA-N 1 3 336.867 2.502 20 0 EFADHO C[C@@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000350871684 146097798 /nfs/dbraw/zinc/09/77/98/146097798.db2.gz RLNXMGOZLVUVKM-RLLQIKCJSA-N 1 3 345.531 2.691 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000351488137 146129475 /nfs/dbraw/zinc/12/94/75/146129475.db2.gz DTZWLSFNBHDJBS-NILFDRSVSA-N 1 3 330.350 2.633 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@H]12 ZINC000351501450 146132498 /nfs/dbraw/zinc/13/24/98/146132498.db2.gz YBTSKMLEKZIDAT-VHDGCEQUSA-N 1 3 332.835 2.602 20 0 EFADHO Cn1c2ccc(CN3CCC(CCC[NH+](C)C)CC3)cc2oc1=O ZINC000351665511 146172387 /nfs/dbraw/zinc/17/23/87/146172387.db2.gz RBHCXCBYYBQMHK-UHFFFAOYSA-N 1 3 331.460 2.685 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000352101705 146289927 /nfs/dbraw/zinc/28/99/27/146289927.db2.gz CPVWRRMSUULNIF-SDXDJHTJSA-N 1 3 345.531 2.852 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)oc(=O)n2C ZINC000352131255 146297451 /nfs/dbraw/zinc/29/74/51/146297451.db2.gz PUKRXQUQNFBMSR-HNNXBMFYSA-N 1 3 331.460 2.876 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)oc(=O)n2C ZINC000352131255 146297452 /nfs/dbraw/zinc/29/74/52/146297452.db2.gz PUKRXQUQNFBMSR-HNNXBMFYSA-N 1 3 331.460 2.876 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)oc(=O)n2C ZINC000352131256 146297608 /nfs/dbraw/zinc/29/76/08/146297608.db2.gz PUKRXQUQNFBMSR-OAHLLOKOSA-N 1 3 331.460 2.876 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)oc(=O)n2C ZINC000352131256 146297609 /nfs/dbraw/zinc/29/76/09/146297609.db2.gz PUKRXQUQNFBMSR-OAHLLOKOSA-N 1 3 331.460 2.876 20 0 EFADHO C[NH+]1CCC(CNCc2cn3ccc(Br)cc3n2)CC1 ZINC000352839906 146330503 /nfs/dbraw/zinc/33/05/03/146330503.db2.gz MDMKSHHNODUFSC-UHFFFAOYSA-N 1 3 337.265 2.528 20 0 EFADHO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000356574730 147281151 /nfs/dbraw/zinc/28/11/51/147281151.db2.gz YGNBMBXPBWDNLH-QGZVFWFLSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCCOC1 ZINC000356878261 147361254 /nfs/dbraw/zinc/36/12/54/147361254.db2.gz SRIRNOPTNGHHQF-APWZRJJASA-N 1 3 332.488 2.548 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C)nn1C1CCN(C)CC1 ZINC000356940091 147378038 /nfs/dbraw/zinc/37/80/38/147378038.db2.gz VBDVGQNMZYMFQN-CQSZACIVSA-N 1 3 335.496 2.563 20 0 EFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@H](C)CN1CCCCCC1 ZINC000359148124 148008096 /nfs/dbraw/zinc/00/80/96/148008096.db2.gz TZVNJZMSNUTBHH-MRXNPFEDSA-N 1 3 327.476 2.930 20 0 EFADHO O=C(c1cccc(Cl)c1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359217223 148026455 /nfs/dbraw/zinc/02/64/55/148026455.db2.gz JUIKANYGRDCIRL-UHFFFAOYSA-N 1 3 349.906 2.878 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359221686 148027663 /nfs/dbraw/zinc/02/76/63/148027663.db2.gz HQQMLPHISNGOHH-RDJZCZTQSA-N 1 3 344.503 2.652 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000359270027 148041430 /nfs/dbraw/zinc/04/14/30/148041430.db2.gz ZMLXZAHPCWEHAE-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000359270027 148041431 /nfs/dbraw/zinc/04/14/31/148041431.db2.gz ZMLXZAHPCWEHAE-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO [NH3+]CCCN(CCC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000359305245 148050592 /nfs/dbraw/zinc/05/05/92/148050592.db2.gz LVWOHOGOYBWGST-UHFFFAOYSA-N 1 3 337.467 2.817 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)N1CCCC1 ZINC000359366337 148067468 /nfs/dbraw/zinc/06/74/68/148067468.db2.gz VHPJQIOBTGHOOT-UHOSZYNNSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@@H]1C)N1CCCC1 ZINC000359366337 148067470 /nfs/dbraw/zinc/06/74/70/148067470.db2.gz VHPJQIOBTGHOOT-UHOSZYNNSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)N1CCCC1 ZINC000359366337 148067472 /nfs/dbraw/zinc/06/74/72/148067472.db2.gz VHPJQIOBTGHOOT-UHOSZYNNSA-N 1 3 331.504 2.762 20 0 EFADHO CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000359411761 148078835 /nfs/dbraw/zinc/07/88/35/148078835.db2.gz FDPRAGRQOPJWFW-MHTWAQMVSA-N 1 3 344.499 2.682 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000359570479 148126034 /nfs/dbraw/zinc/12/60/34/148126034.db2.gz ZPJGOJWDFQICQU-YOEHRIQHSA-N 1 3 333.476 2.699 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000359604463 148136576 /nfs/dbraw/zinc/13/65/76/148136576.db2.gz WRLGKOSDUCTVPI-BZSNNMDCSA-N 1 3 337.508 2.609 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CC2CCS(=O)(=O)CC2)CC1 ZINC000359838769 148203795 /nfs/dbraw/zinc/20/37/95/148203795.db2.gz CVEJLQSVPIINEB-UHFFFAOYSA-N 1 3 344.565 2.645 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360006346 148247669 /nfs/dbraw/zinc/24/76/69/148247669.db2.gz JQJBNLVZBTWNDI-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360006346 148247671 /nfs/dbraw/zinc/24/76/71/148247671.db2.gz JQJBNLVZBTWNDI-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010117 148248305 /nfs/dbraw/zinc/24/83/05/148248305.db2.gz DNQGSNMFGHFBDZ-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010117 148248308 /nfs/dbraw/zinc/24/83/08/148248308.db2.gz DNQGSNMFGHFBDZ-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010119 148248492 /nfs/dbraw/zinc/24/84/92/148248492.db2.gz DNQGSNMFGHFBDZ-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(C)CC1 ZINC000360010119 148248494 /nfs/dbraw/zinc/24/84/94/148248494.db2.gz DNQGSNMFGHFBDZ-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000360096244 148270626 /nfs/dbraw/zinc/27/06/26/148270626.db2.gz DGVGWDUAPOZSFS-BRWVUGGUSA-N 1 3 343.581 2.544 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000360214343 148301302 /nfs/dbraw/zinc/30/13/02/148301302.db2.gz VOXQCHCKMGRCAM-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CC[NH+](CC)CC(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360299395 148324565 /nfs/dbraw/zinc/32/45/65/148324565.db2.gz QGTZBJVXXLPGKB-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000360339504 148335593 /nfs/dbraw/zinc/33/55/93/148335593.db2.gz UHYSCDQYNQIXTB-ZAWLATJESA-N 1 3 331.504 2.820 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360349339 148338373 /nfs/dbraw/zinc/33/83/73/148338373.db2.gz ZBNCKBMQOTWXQO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360349339 148338374 /nfs/dbraw/zinc/33/83/74/148338374.db2.gz ZBNCKBMQOTWXQO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(CN(C)C)CCCC2)[C@H](C)C1 ZINC000355069055 286059103 /nfs/dbraw/zinc/05/91/03/286059103.db2.gz QMIWPRPXBZXTID-RTBURBONSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000363832906 149017712 /nfs/dbraw/zinc/01/77/12/149017712.db2.gz QDVBXIGTGMQYRW-UZLBHIALSA-N 1 3 341.499 2.670 20 0 EFADHO C[C@@H](c1cnccn1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363834860 149017878 /nfs/dbraw/zinc/01/78/78/149017878.db2.gz ZDBYAUAGRXJZPG-KRWDZBQOSA-N 1 3 345.535 2.666 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000363832902 149017974 /nfs/dbraw/zinc/01/79/74/149017974.db2.gz QDVBXIGTGMQYRW-JXFKEZNVSA-N 1 3 341.499 2.670 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)C2)CC1 ZINC000364328493 149125749 /nfs/dbraw/zinc/12/57/49/149125749.db2.gz CNNYABXBPZIQHW-ZOBUZTSGSA-N 1 3 325.566 2.665 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)C2)CC1 ZINC000364328491 149126575 /nfs/dbraw/zinc/12/65/75/149126575.db2.gz CNNYABXBPZIQHW-YQQAZPJKSA-N 1 3 325.566 2.665 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(F)cn1 ZINC000364941110 149280897 /nfs/dbraw/zinc/28/08/97/149280897.db2.gz KZJQBMONGRCKEH-UHFFFAOYSA-N 1 3 348.510 2.849 20 0 EFADHO CCN1CCN([C@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000368017263 150011256 /nfs/dbraw/zinc/01/12/56/150011256.db2.gz HOLYKSLKACUKQH-IDOMTICXSA-N 1 3 335.442 2.690 20 0 EFADHO CCN1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000368017263 150011258 /nfs/dbraw/zinc/01/12/58/150011258.db2.gz HOLYKSLKACUKQH-IDOMTICXSA-N 1 3 335.442 2.690 20 0 EFADHO CN(C)CCN1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368019291 150012086 /nfs/dbraw/zinc/01/20/86/150012086.db2.gz LPRKLOHGQFGVOO-UHFFFAOYSA-N 1 3 337.458 2.826 20 0 EFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368281887 150085763 /nfs/dbraw/zinc/08/57/63/150085763.db2.gz PHCDBVKYVLKUHR-GOSISDBHSA-N 1 3 327.488 2.530 20 0 EFADHO CN1CC[NH+](CC2(C)CCN(Cc3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000368294654 150089157 /nfs/dbraw/zinc/08/91/57/150089157.db2.gz UAGTVFYGEQZXQJ-UHFFFAOYSA-N 1 3 347.551 2.557 20 0 EFADHO CN1CC[C@]2(CC[N@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000368352364 150099647 /nfs/dbraw/zinc/09/96/47/150099647.db2.gz QWHXPKIUSFYJOX-PMACEKPBSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)C1 ZINC000368352364 150099649 /nfs/dbraw/zinc/09/96/49/150099649.db2.gz QWHXPKIUSFYJOX-PMACEKPBSA-N 1 3 330.472 2.772 20 0 EFADHO CN1CC=C(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000368461995 150124505 /nfs/dbraw/zinc/12/45/05/150124505.db2.gz MYHOHRATBLDSKW-ALOPSCKCSA-N 1 3 335.492 2.768 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000368461557 150124883 /nfs/dbraw/zinc/12/48/83/150124883.db2.gz JHIUVBVYMVXVAQ-AEFFLSMTSA-N 1 3 325.566 2.665 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000368533828 150142417 /nfs/dbraw/zinc/14/24/17/150142417.db2.gz HLDNKUWUXWERDX-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCOc2ccccc21 ZINC000368589846 150157773 /nfs/dbraw/zinc/15/77/73/150157773.db2.gz AVSMQCZRBOCCMS-QGZVFWFLSA-N 1 3 331.504 2.511 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCOc2ccccc21 ZINC000368589846 150157774 /nfs/dbraw/zinc/15/77/74/150157774.db2.gz AVSMQCZRBOCCMS-QGZVFWFLSA-N 1 3 331.504 2.511 20 0 EFADHO Cc1[nH+]c2ccccc2c(NC2CCN([C@@H]3CCOC3)CC2)c1C ZINC000368615875 150163704 /nfs/dbraw/zinc/16/37/04/150163704.db2.gz VIYFQXWKQKQXHN-QGZVFWFLSA-N 1 3 325.456 2.939 20 0 EFADHO CSC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000368786493 150203789 /nfs/dbraw/zinc/20/37/89/150203789.db2.gz LQTPGUGRUFEJOX-OALUTQOASA-N 1 3 334.529 2.698 20 0 EFADHO CSC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000368786493 150203791 /nfs/dbraw/zinc/20/37/91/150203791.db2.gz LQTPGUGRUFEJOX-OALUTQOASA-N 1 3 334.529 2.698 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000369185758 150296371 /nfs/dbraw/zinc/29/63/71/150296371.db2.gz ACRGNLSSTQNACC-VQTJNVASSA-N 1 3 337.552 2.541 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000369185758 150296373 /nfs/dbraw/zinc/29/63/73/150296373.db2.gz ACRGNLSSTQNACC-VQTJNVASSA-N 1 3 337.552 2.541 20 0 EFADHO C[C@@H](CO)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000372863519 151072733 /nfs/dbraw/zinc/07/27/33/151072733.db2.gz OPKUAUQYXSJHRL-QGZVFWFLSA-N 1 3 333.520 2.715 20 0 EFADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704379 292238163 /nfs/dbraw/zinc/23/81/63/292238163.db2.gz NDLTZVOWMYWGJJ-LQWHRVPQSA-N 1 3 343.515 2.965 20 0 EFADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704379 292238164 /nfs/dbraw/zinc/23/81/64/292238164.db2.gz NDLTZVOWMYWGJJ-LQWHRVPQSA-N 1 3 343.515 2.965 20 0 EFADHO C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000373315213 151151000 /nfs/dbraw/zinc/15/10/00/151151000.db2.gz CMTXYYBBQAOVSX-MRXNPFEDSA-N 1 3 348.535 2.733 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000373564616 151190907 /nfs/dbraw/zinc/19/09/07/151190907.db2.gz ZEJPBPVPSFZGJT-MPTYRVRUSA-N 1 3 335.517 2.635 20 0 EFADHO CCn1cc(CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000373753237 151221215 /nfs/dbraw/zinc/22/12/15/151221215.db2.gz IKQQUDUIMPKKOS-ROUUACIJSA-N 1 3 348.535 2.657 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074514 151279459 /nfs/dbraw/zinc/27/94/59/151279459.db2.gz LCRQTDURKVPUHX-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000374288452 151315748 /nfs/dbraw/zinc/31/57/48/151315748.db2.gz QWCGBIKYXHZXLQ-FQEVSTJZSA-N 1 3 344.499 2.692 20 0 EFADHO CN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](c2ccccc2)C1 ZINC000374292030 151316789 /nfs/dbraw/zinc/31/67/89/151316789.db2.gz BIWHYBOACVNEPV-PMACEKPBSA-N 1 3 337.467 2.576 20 0 EFADHO Cc1cnn(CCCCCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374420597 151344538 /nfs/dbraw/zinc/34/45/38/151344538.db2.gz LZXKTYAKKRDZJS-IPMKNSEASA-N 1 3 334.508 2.545 20 0 EFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000374428471 151345777 /nfs/dbraw/zinc/34/57/77/151345777.db2.gz MFOBPINJHCVKLY-IHWFROFDSA-N 1 3 341.499 2.769 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000446840038 292250793 /nfs/dbraw/zinc/25/07/93/292250793.db2.gz WPUFBNQNMHTFNF-NEWSRXKRSA-N 1 3 327.476 2.790 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000446840038 292250796 /nfs/dbraw/zinc/25/07/96/292250796.db2.gz WPUFBNQNMHTFNF-NEWSRXKRSA-N 1 3 327.476 2.790 20 0 EFADHO C[N@H+](Cc1ccccc1CNC(=O)[C@@]1(F)CCNC1)C1CCCCC1 ZINC000378201420 152031204 /nfs/dbraw/zinc/03/12/04/152031204.db2.gz JWKBFRWXAXFQKU-HXUWFJFHSA-N 1 3 347.478 2.769 20 0 EFADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@@]1(F)CCNC1)C1CCCCC1 ZINC000378201420 152031209 /nfs/dbraw/zinc/03/12/09/152031209.db2.gz JWKBFRWXAXFQKU-HXUWFJFHSA-N 1 3 347.478 2.769 20 0 EFADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000407961759 152139370 /nfs/dbraw/zinc/13/93/70/152139370.db2.gz KEKVNRDLNIVGCW-HUUCEWRRSA-N 1 3 338.540 2.715 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C)c3ccccc3C2)cc1 ZINC000420317894 286357114 /nfs/dbraw/zinc/35/71/14/286357114.db2.gz NICRRGWEVYEVQU-SFHVURJKSA-N 1 3 325.456 2.690 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000420317894 286357115 /nfs/dbraw/zinc/35/71/15/286357115.db2.gz NICRRGWEVYEVQU-SFHVURJKSA-N 1 3 325.456 2.690 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000420317894 286357116 /nfs/dbraw/zinc/35/71/16/286357116.db2.gz NICRRGWEVYEVQU-SFHVURJKSA-N 1 3 325.456 2.690 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416837690 298388250 /nfs/dbraw/zinc/38/82/50/298388250.db2.gz IHRHRBVIAQNXDQ-HUUCEWRRSA-N 1 3 338.521 2.702 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(F)c1 ZINC000414206262 286903813 /nfs/dbraw/zinc/90/38/13/286903813.db2.gz YCLXKQDIONNIAX-LJQANCHMSA-N 1 3 349.494 2.663 20 0 EFADHO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204013 287273592 /nfs/dbraw/zinc/27/35/92/287273592.db2.gz VYBPVOAHLVIXPC-IPMKNSEASA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890924 287273865 /nfs/dbraw/zinc/27/38/65/287273865.db2.gz PHTSENMNOLWAJR-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890924 287273866 /nfs/dbraw/zinc/27/38/66/287273866.db2.gz PHTSENMNOLWAJR-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000358300614 287289154 /nfs/dbraw/zinc/28/91/54/287289154.db2.gz LUTBIDFXBWEVBB-GTAWCEEGSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000358300614 287289161 /nfs/dbraw/zinc/28/91/61/287289161.db2.gz LUTBIDFXBWEVBB-GTAWCEEGSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)C[C@H](N[C@H](C)C1CC[NH+](C)CC1)C(=O)Nc1nccs1 ZINC000090987538 544535165 /nfs/dbraw/zinc/53/51/65/544535165.db2.gz UYSGESQDVDHPAW-HIFRSBDPSA-N 1 3 338.521 2.816 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092046524 544541620 /nfs/dbraw/zinc/54/16/20/544541620.db2.gz GZZPCDRUFBPJIY-LJQANCHMSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000090076838 544530342 /nfs/dbraw/zinc/53/03/42/544530342.db2.gz SMANZTMPNOXAQM-SUMWQHHRSA-N 1 3 335.879 2.765 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093741969 544556691 /nfs/dbraw/zinc/55/66/91/544556691.db2.gz AWYIYCWULWHHNM-IBGZPJMESA-N 1 3 333.520 2.791 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093741969 544556695 /nfs/dbraw/zinc/55/66/95/544556695.db2.gz AWYIYCWULWHHNM-IBGZPJMESA-N 1 3 333.520 2.791 20 0 EFADHO COc1cccc(C[C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c1 ZINC000121056993 544592450 /nfs/dbraw/zinc/59/24/50/544592450.db2.gz SRSGQNLCWATEAK-NRFANRHFSA-N 1 3 345.531 2.634 20 0 EFADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000131175706 544660936 /nfs/dbraw/zinc/66/09/36/544660936.db2.gz WRUSRHRJJJIMSB-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000153965528 544740352 /nfs/dbraw/zinc/74/03/52/544740352.db2.gz GATBBLGALWBARP-NRFANRHFSA-N 1 3 345.531 2.832 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000165723963 544848302 /nfs/dbraw/zinc/84/83/02/544848302.db2.gz PLFSFSQRVLYOKA-QYZOEREBSA-N 1 3 329.488 2.703 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000163961213 544838637 /nfs/dbraw/zinc/83/86/37/544838637.db2.gz YIFWRLUTJYWSHH-IBGZPJMESA-N 1 3 344.547 2.661 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166420702 544851969 /nfs/dbraw/zinc/85/19/69/544851969.db2.gz DBYYASBGRRNPOI-KZNAEPCWSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166420702 544851975 /nfs/dbraw/zinc/85/19/75/544851975.db2.gz DBYYASBGRRNPOI-KZNAEPCWSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166420702 544851980 /nfs/dbraw/zinc/85/19/80/544851980.db2.gz DBYYASBGRRNPOI-KZNAEPCWSA-N 1 3 329.488 2.738 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000177883457 544898618 /nfs/dbraw/zinc/89/86/18/544898618.db2.gz TXAVOTLXBQQXKM-KRWDZBQOSA-N 1 3 337.508 2.978 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178034524 544900951 /nfs/dbraw/zinc/90/09/51/544900951.db2.gz JTSSUXXXPGYNEP-WMLDXEAASA-N 1 3 337.508 2.978 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CC[NH+](C)CC1 ZINC000175863157 264844745 /nfs/dbraw/zinc/84/47/45/264844745.db2.gz JEVQRSFBZZDDLP-UHFFFAOYSA-N 1 3 329.444 2.566 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000189911780 265204803 /nfs/dbraw/zinc/20/48/03/265204803.db2.gz XXCWNIZVTXWELK-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000190144336 265211103 /nfs/dbraw/zinc/21/11/03/265211103.db2.gz KKNSKSHBCBIZGY-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191171446 265253275 /nfs/dbraw/zinc/25/32/75/265253275.db2.gz UVNPWUWTWFNYDQ-QGZVFWFLSA-N 1 3 335.540 2.841 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191174533 265254003 /nfs/dbraw/zinc/25/40/03/265254003.db2.gz IFMRRNMHHBXGKQ-HZPDHXFCSA-N 1 3 335.540 2.623 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745259 265307869 /nfs/dbraw/zinc/30/78/69/265307869.db2.gz LMFBLPYAISVCHL-QZTJIDSGSA-N 1 3 325.541 2.538 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192745259 265307873 /nfs/dbraw/zinc/30/78/73/265307873.db2.gz LMFBLPYAISVCHL-QZTJIDSGSA-N 1 3 325.541 2.538 20 0 EFADHO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192804469 265310265 /nfs/dbraw/zinc/31/02/65/265310265.db2.gz LDGUNZROCYONKT-RBUKOAKNSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000271530080 266001210 /nfs/dbraw/zinc/00/12/10/266001210.db2.gz RWBNONMKILTPSQ-INIZCTEOSA-N 1 3 347.503 2.584 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000271564313 266009400 /nfs/dbraw/zinc/00/94/00/266009400.db2.gz XMFWLKCHHIHYBA-CEXWTWQISA-N 1 3 330.472 2.868 20 0 EFADHO Cn1ccnc1[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000271810489 266066732 /nfs/dbraw/zinc/06/67/32/266066732.db2.gz NGXALSWXMKOBGZ-LJQANCHMSA-N 1 3 342.487 2.644 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000272130111 266163421 /nfs/dbraw/zinc/16/34/21/266163421.db2.gz WBQQFFLWSHYHBN-MRXNPFEDSA-N 1 3 344.503 2.677 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000272186739 266181768 /nfs/dbraw/zinc/18/17/68/266181768.db2.gz UKPKKKIEGSFHRS-HNNXBMFYSA-N 1 3 332.492 2.942 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000272209340 266189618 /nfs/dbraw/zinc/18/96/18/266189618.db2.gz HKRSQMOBPOFZEJ-ABSDTBQOSA-N 1 3 343.515 2.525 20 0 EFADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000272239759 266201917 /nfs/dbraw/zinc/20/19/17/266201917.db2.gz WGLZOHNPNVCFRW-YJBOKZPZSA-N 1 3 341.455 2.802 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280918 266214335 /nfs/dbraw/zinc/21/43/35/266214335.db2.gz MSCPGURFNRYQSZ-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280918 266214337 /nfs/dbraw/zinc/21/43/37/266214337.db2.gz MSCPGURFNRYQSZ-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO COCCN1CCC([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272319080 266228267 /nfs/dbraw/zinc/22/82/67/266228267.db2.gz KPKVUTNXEVIKGY-QUCCMNQESA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H]([NH2+]CCN1CCSCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272446556 266268410 /nfs/dbraw/zinc/26/84/10/266268410.db2.gz JGDSGINLUZYVNV-HKUYNNGSSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@H](NCCN1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272446556 266268415 /nfs/dbraw/zinc/26/84/15/266268415.db2.gz JGDSGINLUZYVNV-HKUYNNGSSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@H](NCCN1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272446556 266268418 /nfs/dbraw/zinc/26/84/18/266268418.db2.gz JGDSGINLUZYVNV-HKUYNNGSSA-N 1 3 333.545 2.535 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC000272533426 266297316 /nfs/dbraw/zinc/29/73/16/266297316.db2.gz BOIOUEMQOTWIFG-GOSISDBHSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@@H](CNC(=O)NCC1(C)CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000272653341 266342274 /nfs/dbraw/zinc/34/22/74/266342274.db2.gz KXUQSIKIOFAVGL-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272687086 266352282 /nfs/dbraw/zinc/35/22/82/266352282.db2.gz BSGQJLLRSBOPRR-MRXNPFEDSA-N 1 3 344.503 2.588 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000272687086 266352286 /nfs/dbraw/zinc/35/22/86/266352286.db2.gz BSGQJLLRSBOPRR-MRXNPFEDSA-N 1 3 344.503 2.588 20 0 EFADHO O[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCSC1 ZINC000272698805 266355513 /nfs/dbraw/zinc/35/55/13/266355513.db2.gz RNADVPCLWBTQFL-NMLBUPMWSA-N 1 3 346.540 2.745 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000272714548 266360875 /nfs/dbraw/zinc/36/08/75/266360875.db2.gz IDWGVAZWFDBDLT-APWZRJJASA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000272714548 266360878 /nfs/dbraw/zinc/36/08/78/266360878.db2.gz IDWGVAZWFDBDLT-APWZRJJASA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272715064 266361487 /nfs/dbraw/zinc/36/14/87/266361487.db2.gz CLCMRYUAERXQLG-APWZRJJASA-N 1 3 325.456 2.807 20 0 EFADHO Cc1ccncc1[C@@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272715064 266361489 /nfs/dbraw/zinc/36/14/89/266361489.db2.gz CLCMRYUAERXQLG-APWZRJJASA-N 1 3 325.456 2.807 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000272802364 266387480 /nfs/dbraw/zinc/38/74/80/266387480.db2.gz BOKZCDOIVSGJNY-HNNXBMFYSA-N 1 3 349.475 2.510 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000272802364 266387484 /nfs/dbraw/zinc/38/74/84/266387484.db2.gz BOKZCDOIVSGJNY-HNNXBMFYSA-N 1 3 349.475 2.510 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCCN(C)C(C)C)c1 ZINC000272802364 266387486 /nfs/dbraw/zinc/38/74/86/266387486.db2.gz BOKZCDOIVSGJNY-HNNXBMFYSA-N 1 3 349.475 2.510 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000104532681 273003278 /nfs/dbraw/zinc/00/32/78/273003278.db2.gz LVMQOKHSSYPQRL-UHFFFAOYSA-N 1 3 339.483 2.919 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCC[C@H](C)C1 ZINC000107982545 273008510 /nfs/dbraw/zinc/00/85/10/273008510.db2.gz KFTBBVSTYJWPFL-SFHVURJKSA-N 1 3 340.556 2.728 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000275686903 266857831 /nfs/dbraw/zinc/85/78/31/266857831.db2.gz QTFKHQWSJKHCQT-UHFFFAOYSA-N 1 3 332.492 2.788 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108541430 273010237 /nfs/dbraw/zinc/01/02/37/273010237.db2.gz RCOCARDHIFSJCQ-IEBWSBKVSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108541430 273010238 /nfs/dbraw/zinc/01/02/38/273010238.db2.gz RCOCARDHIFSJCQ-IEBWSBKVSA-N 1 3 346.519 2.711 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC2CCCC2)c1 ZINC000108814542 273010929 /nfs/dbraw/zinc/01/09/29/273010929.db2.gz AEUHEADQXGMADP-UHFFFAOYSA-N 1 3 347.503 2.573 20 0 EFADHO Cc1ccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c(CN(C)C)c1 ZINC000276634365 267026302 /nfs/dbraw/zinc/02/63/02/267026302.db2.gz NZQUQOYPRLOWCH-UHFFFAOYSA-N 1 3 337.467 2.997 20 0 EFADHO CC(C)(C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CN1CCCC1 ZINC000276963375 267085947 /nfs/dbraw/zinc/08/59/47/267085947.db2.gz WXKBRYFHZZUTRN-UHFFFAOYSA-N 1 3 333.476 2.596 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000277100744 267114291 /nfs/dbraw/zinc/11/42/91/267114291.db2.gz CKWMKCMZWVAHEE-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000277246206 267136990 /nfs/dbraw/zinc/13/69/90/267136990.db2.gz NPZOMPSDHXDYLE-QYZOEREBSA-N 1 3 334.529 2.873 20 0 EFADHO CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000277887792 267290053 /nfs/dbraw/zinc/29/00/53/267290053.db2.gz ZOKAPFOVDLURHR-PCCBWWKXSA-N 1 3 346.515 2.760 20 0 EFADHO CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000277887792 267290055 /nfs/dbraw/zinc/29/00/55/267290055.db2.gz ZOKAPFOVDLURHR-PCCBWWKXSA-N 1 3 346.515 2.760 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000278300353 267395113 /nfs/dbraw/zinc/39/51/13/267395113.db2.gz CDDGHOIYAKHZLR-ZWKOTPCHSA-N 1 3 336.451 2.692 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000173782876 273025939 /nfs/dbraw/zinc/02/59/39/273025939.db2.gz XQDAYRWXXPDCTP-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000193844190 273065563 /nfs/dbraw/zinc/06/55/63/273065563.db2.gz AUQKKRJUSQLKDI-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237123171 273070970 /nfs/dbraw/zinc/07/09/70/273070970.db2.gz OGMMRYVIPAMXPS-GDBMZVCRSA-N 1 3 335.517 2.766 20 0 EFADHO C[C@H](C[NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000271202144 273102233 /nfs/dbraw/zinc/10/22/33/273102233.db2.gz FPEMWLCDMCDVBB-CYBMUJFWSA-N 1 3 341.293 2.599 20 0 EFADHO Cc1noc(CCC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)n1 ZINC000271527196 273104444 /nfs/dbraw/zinc/10/44/44/273104444.db2.gz VZKLSUSQMGKAFJ-AWEZNQCLSA-N 1 3 332.448 2.602 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000279002847 273165214 /nfs/dbraw/zinc/16/52/14/273165214.db2.gz KSGVSNRTRHVODH-HXUWFJFHSA-N 1 3 341.499 2.736 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279273961 273196402 /nfs/dbraw/zinc/19/64/02/273196402.db2.gz NSEAXGKEJLETIF-UWVAXJGDSA-N 1 3 343.515 2.934 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccnn1-c1ccccc1C ZINC000280290874 273312030 /nfs/dbraw/zinc/31/20/30/273312030.db2.gz NNIWMWKFCUCQQV-SFHVURJKSA-N 1 3 330.476 2.627 20 0 EFADHO CCN1CCN(CCCC[NH2+]CCSCc2ccccc2)CC1 ZINC000281092213 273399651 /nfs/dbraw/zinc/39/96/51/273399651.db2.gz KGNWODCXLUCRGQ-UHFFFAOYSA-N 1 3 335.561 2.927 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000192849171 273531897 /nfs/dbraw/zinc/53/18/97/273531897.db2.gz RVOWRQAEQIYGSS-UHFFFAOYSA-N 1 3 330.520 2.677 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000416836561 273770591 /nfs/dbraw/zinc/77/05/91/273770591.db2.gz GPROMQZGHOKXAM-SNRMKQJTSA-N 1 3 346.519 2.763 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000285677672 274051034 /nfs/dbraw/zinc/05/10/34/274051034.db2.gz NAYLVTANANJUAF-QAPCUYQASA-N 1 3 330.476 2.839 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000285677661 274051042 /nfs/dbraw/zinc/05/10/42/274051042.db2.gz NAYLVTANANJUAF-CRAIPNDOSA-N 1 3 330.476 2.839 20 0 EFADHO OCCOCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000285934392 274103127 /nfs/dbraw/zinc/10/31/27/274103127.db2.gz CZSYMBKGOQCLSP-PWRODBHTSA-N 1 3 346.515 2.666 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)CN1CCCCC1 ZINC000286064793 274126374 /nfs/dbraw/zinc/12/63/74/274126374.db2.gz LPGANZPMNOTZCG-GJZGRUSLSA-N 1 3 331.460 2.790 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000286329420 274179258 /nfs/dbraw/zinc/17/92/58/274179258.db2.gz WYULPDXKNJTNCG-SFHVURJKSA-N 1 3 329.488 2.772 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000286329420 274179262 /nfs/dbraw/zinc/17/92/62/274179262.db2.gz WYULPDXKNJTNCG-SFHVURJKSA-N 1 3 329.488 2.772 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000286459405 274206358 /nfs/dbraw/zinc/20/63/58/274206358.db2.gz OPLLQNKCOOJSGY-OAQYLSRUSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000288149956 274536090 /nfs/dbraw/zinc/53/60/90/274536090.db2.gz NRWULYKPFHBNML-MJGOQNOKSA-N 1 3 346.519 2.805 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000424448454 274695348 /nfs/dbraw/zinc/69/53/48/274695348.db2.gz XXZOBKSZYJAADQ-LJQANCHMSA-N 1 3 340.471 2.748 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289096024 274705714 /nfs/dbraw/zinc/70/57/14/274705714.db2.gz BWCBDZRTLFNVDL-SHTZXODSSA-N 1 3 343.471 2.989 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289643538 274796914 /nfs/dbraw/zinc/79/69/14/274796914.db2.gz HVHANDPLBWNADC-SFHVURJKSA-N 1 3 339.911 2.645 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000418355128 275748632 /nfs/dbraw/zinc/74/86/32/275748632.db2.gz PBRIXWUBQARQDS-KBXCAEBGSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000418344956 275748879 /nfs/dbraw/zinc/74/88/79/275748879.db2.gz GSCDDTHZUPEVDD-WJFTUGDTSA-N 1 3 344.503 2.579 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418345510 275749072 /nfs/dbraw/zinc/74/90/72/275749072.db2.gz HHSCAANZRWCJJF-FHLIZLRMSA-N 1 3 332.492 2.627 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000417029208 275938578 /nfs/dbraw/zinc/93/85/78/275938578.db2.gz NORJWVSQHHBUGF-UHFFFAOYSA-N 1 3 344.503 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1CCCCC1 ZINC000346106731 275978790 /nfs/dbraw/zinc/97/87/90/275978790.db2.gz JOMBQLNUMVGCMI-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000422917121 287865259 /nfs/dbraw/zinc/86/52/59/287865259.db2.gz CMXXTUPETKOYCL-NCXUSEDFSA-N 1 3 332.488 2.899 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000418341427 276057993 /nfs/dbraw/zinc/05/79/93/276057993.db2.gz DFTNXZYYIWTKJJ-RCCFBDPRSA-N 1 3 332.492 2.627 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000418355080 276058001 /nfs/dbraw/zinc/05/80/01/276058001.db2.gz OWLJGBWJUCUOLI-LJQANCHMSA-N 1 3 346.519 2.793 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362590081 276063711 /nfs/dbraw/zinc/06/37/11/276063711.db2.gz IWEQWWSXTZIVHG-KVPLUYHFSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362590081 276063713 /nfs/dbraw/zinc/06/37/13/276063713.db2.gz IWEQWWSXTZIVHG-KVPLUYHFSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154530724 276073323 /nfs/dbraw/zinc/07/33/23/276073323.db2.gz SGDBHUDHHGUZNR-DOTOQJQBSA-N 1 3 344.421 2.882 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154530724 276073325 /nfs/dbraw/zinc/07/33/25/276073325.db2.gz SGDBHUDHHGUZNR-DOTOQJQBSA-N 1 3 344.421 2.882 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000352643646 276127710 /nfs/dbraw/zinc/12/77/10/276127710.db2.gz BIACOLNQVNTKLK-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000352643646 276127713 /nfs/dbraw/zinc/12/77/13/276127713.db2.gz BIACOLNQVNTKLK-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341333013 276160600 /nfs/dbraw/zinc/16/06/00/276160600.db2.gz YHCPXYZITFGBKV-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341333013 276160601 /nfs/dbraw/zinc/16/06/01/276160601.db2.gz YHCPXYZITFGBKV-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000125577928 276170452 /nfs/dbraw/zinc/17/04/52/276170452.db2.gz IHVYUMVJAJPZPX-QGZVFWFLSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000125577928 276170453 /nfs/dbraw/zinc/17/04/53/276170453.db2.gz IHVYUMVJAJPZPX-QGZVFWFLSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)ccc1C ZINC000337574547 276183748 /nfs/dbraw/zinc/18/37/48/276183748.db2.gz GSEZKXQSHMCRGL-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)ccc1C ZINC000337574547 276183750 /nfs/dbraw/zinc/18/37/50/276183750.db2.gz GSEZKXQSHMCRGL-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000154306634 276195108 /nfs/dbraw/zinc/19/51/08/276195108.db2.gz DZFKVLBUZXVHQO-INIZCTEOSA-N 1 3 336.499 2.570 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCN(C)CC2)CC1 ZINC000127241979 276202772 /nfs/dbraw/zinc/20/27/72/276202772.db2.gz FUHQTPZQGBCJAR-INIZCTEOSA-N 1 3 348.510 2.712 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC2CC[NH+](C)CC2)CC1 ZINC000127241979 276202774 /nfs/dbraw/zinc/20/27/74/276202774.db2.gz FUHQTPZQGBCJAR-INIZCTEOSA-N 1 3 348.510 2.712 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000343501011 276203438 /nfs/dbraw/zinc/20/34/38/276203438.db2.gz XIFFJSYQBNBPEL-FXAWDEMLSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000343501011 276203439 /nfs/dbraw/zinc/20/34/39/276203439.db2.gz XIFFJSYQBNBPEL-FXAWDEMLSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2N2CCOCC2)[C@@H](C)C1 ZINC000345170322 276229796 /nfs/dbraw/zinc/22/97/96/276229796.db2.gz BQUYWTGTGDZPDY-HKUYNNGSSA-N 1 3 331.504 2.652 20 0 EFADHO CCCN(C)CC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440550298 276245979 /nfs/dbraw/zinc/24/59/79/276245979.db2.gz MZCAVENMHZMMJE-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(C)CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440550298 276245982 /nfs/dbraw/zinc/24/59/82/276245982.db2.gz MZCAVENMHZMMJE-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCC[NH2+]CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418491666 276265951 /nfs/dbraw/zinc/26/59/51/276265951.db2.gz SLLDJWPUZYBYEZ-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418603074 276269359 /nfs/dbraw/zinc/26/93/59/276269359.db2.gz OLFVXDPMAVKZDW-ZIFCJYIRSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204734 276270960 /nfs/dbraw/zinc/27/09/60/276270960.db2.gz NOFRXYNVBXIZPT-UYAOXDASSA-N 1 3 329.488 2.629 20 0 EFADHO CCC[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204734 276270963 /nfs/dbraw/zinc/27/09/63/276270963.db2.gz NOFRXYNVBXIZPT-UYAOXDASSA-N 1 3 329.488 2.629 20 0 EFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000340599139 276323562 /nfs/dbraw/zinc/32/35/62/276323562.db2.gz DBUPRNXBJDPSSZ-FGTMMUONSA-N 1 3 337.552 2.933 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000354097519 276328234 /nfs/dbraw/zinc/32/82/34/276328234.db2.gz QLNWMCFJFSYCET-IBGZPJMESA-N 1 3 333.476 2.578 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000348547903 276365837 /nfs/dbraw/zinc/36/58/37/276365837.db2.gz OHQGVAZYXZKJOK-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)N(C)C)cc1 ZINC000416848477 276670109 /nfs/dbraw/zinc/67/01/09/276670109.db2.gz WUMSSVAXNZHYMB-GOSISDBHSA-N 1 3 346.519 2.541 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416836931 276672738 /nfs/dbraw/zinc/67/27/38/276672738.db2.gz HANANODRUMQIEQ-IPELMVKDSA-N 1 3 346.519 2.539 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370633167 276701841 /nfs/dbraw/zinc/70/18/41/276701841.db2.gz GCAPOGLMPQKJOU-ZBFHGGJFSA-N 1 3 348.560 2.841 20 0 EFADHO C[NH+](C)CCCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000252483728 276783419 /nfs/dbraw/zinc/78/34/19/276783419.db2.gz FHKPXKVNOUHRPG-LJQANCHMSA-N 1 3 329.488 2.994 20 0 EFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000375470208 277038485 /nfs/dbraw/zinc/03/84/85/277038485.db2.gz CQXAFNTXWIEXAT-UHFFFAOYSA-N 1 3 327.472 2.656 20 0 EFADHO CN1CCC2(CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000375470208 277038486 /nfs/dbraw/zinc/03/84/86/277038486.db2.gz CQXAFNTXWIEXAT-UHFFFAOYSA-N 1 3 327.472 2.656 20 0 EFADHO CN1c2ccc(CN3CCCC34CC[NH+](C)CC4)cc2CCC1=O ZINC000375470208 277038488 /nfs/dbraw/zinc/03/84/88/277038488.db2.gz CQXAFNTXWIEXAT-UHFFFAOYSA-N 1 3 327.472 2.656 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344721241 277040329 /nfs/dbraw/zinc/04/03/29/277040329.db2.gz RPYSLUXLPPDXGD-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344721241 277040330 /nfs/dbraw/zinc/04/03/30/277040330.db2.gz RPYSLUXLPPDXGD-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089425152 277078137 /nfs/dbraw/zinc/07/81/37/277078137.db2.gz KPECNELXDHQIMZ-IRXDYDNUSA-N 1 3 331.508 2.668 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089425152 277078139 /nfs/dbraw/zinc/07/81/39/277078139.db2.gz KPECNELXDHQIMZ-IRXDYDNUSA-N 1 3 331.508 2.668 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000337479648 277215765 /nfs/dbraw/zinc/21/57/65/277215765.db2.gz UTVTVLMCABPSGM-RTBURBONSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000337479648 277215766 /nfs/dbraw/zinc/21/57/66/277215766.db2.gz UTVTVLMCABPSGM-RTBURBONSA-N 1 3 325.541 2.540 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331984 277572671 /nfs/dbraw/zinc/57/26/71/277572671.db2.gz CKMUKMQLRRPPJO-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423398656 278013750 /nfs/dbraw/zinc/01/37/50/278013750.db2.gz UACRZMZOWIZPQV-SJLPKXTDSA-N 1 3 329.488 2.627 20 0 EFADHO CC(=O)N1CC[C@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2C1 ZINC000373121646 278055283 /nfs/dbraw/zinc/05/52/83/278055283.db2.gz CQJMWONNAMZZON-FQEVSTJZSA-N 1 3 327.472 2.696 20 0 EFADHO CC(=O)N1CC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879041 278056278 /nfs/dbraw/zinc/05/62/78/278056278.db2.gz IWVUTWVZLXVCRT-JXFKEZNVSA-N 1 3 327.472 2.554 20 0 EFADHO CC(=O)N1CC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879041 278056279 /nfs/dbraw/zinc/05/62/79/278056279.db2.gz IWVUTWVZLXVCRT-JXFKEZNVSA-N 1 3 327.472 2.554 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCCC1 ZINC000153358022 278062108 /nfs/dbraw/zinc/06/21/08/278062108.db2.gz QVMIVTIMHAQDPV-SCTDSRPQSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCCC1 ZINC000153358022 278062109 /nfs/dbraw/zinc/06/21/09/278062109.db2.gz QVMIVTIMHAQDPV-SCTDSRPQSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H](C)C1)N1CCCC1 ZINC000153358022 278062110 /nfs/dbraw/zinc/06/21/10/278062110.db2.gz QVMIVTIMHAQDPV-SCTDSRPQSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCCC1 ZINC000126823247 278144091 /nfs/dbraw/zinc/14/40/91/278144091.db2.gz UYLXRLILCVNCHO-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCCC1 ZINC000126823247 278144094 /nfs/dbraw/zinc/14/40/94/278144094.db2.gz UYLXRLILCVNCHO-LMMKCTJWSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817703 278152283 /nfs/dbraw/zinc/15/22/83/278152283.db2.gz HCVHVKKNOIQKFW-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817703 278152284 /nfs/dbraw/zinc/15/22/84/278152284.db2.gz HCVHVKKNOIQKFW-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891437 278161534 /nfs/dbraw/zinc/16/15/34/278161534.db2.gz GFWDRYAUOUHDDI-CQSZACIVSA-N 1 3 330.476 2.526 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438551327 278196192 /nfs/dbraw/zinc/19/61/92/278196192.db2.gz FFRDDJGWFXAHLC-NTDBWNAOSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438551327 278196193 /nfs/dbraw/zinc/19/61/93/278196193.db2.gz FFRDDJGWFXAHLC-NTDBWNAOSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366881540 278197267 /nfs/dbraw/zinc/19/72/67/278197267.db2.gz JSKDBYCAGAMPOE-KRWDZBQOSA-N 1 3 341.499 2.772 20 0 EFADHO C[C@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000105135130 278202357 /nfs/dbraw/zinc/20/23/57/278202357.db2.gz YJGLPSGVDSLILA-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000105135130 278202358 /nfs/dbraw/zinc/20/23/58/278202358.db2.gz YJGLPSGVDSLILA-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423402971 278220460 /nfs/dbraw/zinc/22/04/60/278220460.db2.gz XWXXAHOYRYUNHA-QZTJIDSGSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058585 278229033 /nfs/dbraw/zinc/22/90/33/278229033.db2.gz CQDDEINSNQXJSI-AFAVFJNCSA-N 1 3 335.879 2.716 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422861883 278311590 /nfs/dbraw/zinc/31/15/90/278311590.db2.gz NCANFVRWQOJOFM-OXQOHEQNSA-N 1 3 337.467 2.862 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237672125 278343003 /nfs/dbraw/zinc/34/30/03/278343003.db2.gz GMDNFQMUYYNCTE-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237672125 278343006 /nfs/dbraw/zinc/34/30/06/278343006.db2.gz GMDNFQMUYYNCTE-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C)cc1 ZINC000414200912 288037626 /nfs/dbraw/zinc/03/76/26/288037626.db2.gz RZTFCXZODRLPCW-FQEVSTJZSA-N 1 3 345.531 2.832 20 0 EFADHO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998576 278506043 /nfs/dbraw/zinc/50/60/43/278506043.db2.gz LOGOPSJINHKXIG-MCPYQZEQSA-N 1 3 331.504 2.892 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C2CC2)CC1 ZINC000431023235 278520223 /nfs/dbraw/zinc/52/02/23/278520223.db2.gz QHKVOTWTMPVSRR-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]2)c2ccccc2)CC1 ZINC000165728284 278550253 /nfs/dbraw/zinc/55/02/53/278550253.db2.gz SJBGNHZKSOJKJA-OALUTQOASA-N 1 3 329.488 2.718 20 0 EFADHO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194075 278960682 /nfs/dbraw/zinc/96/06/82/278960682.db2.gz NBVXPGVYYADSHE-MOPGFXCFSA-N 1 3 339.568 2.833 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342701367 279006628 /nfs/dbraw/zinc/00/66/28/279006628.db2.gz YEXAHUKUHRIFCU-BHIYHBOVSA-N 1 3 329.488 2.670 20 0 EFADHO CCN(C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000355443210 279029666 /nfs/dbraw/zinc/02/96/66/279029666.db2.gz WRXCBHIGZQUQTP-KRWDZBQOSA-N 1 3 346.519 2.901 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431033028 279075591 /nfs/dbraw/zinc/07/55/91/279075591.db2.gz FWYKJANJZPAGLT-GOSISDBHSA-N 1 3 329.488 2.672 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000355484150 279137173 /nfs/dbraw/zinc/13/71/73/279137173.db2.gz UYOJLVLRGVFMMT-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237647480 279246502 /nfs/dbraw/zinc/24/65/02/279246502.db2.gz QTJNJKUUCHZUHS-MISYRCLQSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000343955976 279265961 /nfs/dbraw/zinc/26/59/61/279265961.db2.gz FHQVAABDRTXRIW-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000343955976 279265962 /nfs/dbraw/zinc/26/59/62/279265962.db2.gz FHQVAABDRTXRIW-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1C ZINC000434189475 279303086 /nfs/dbraw/zinc/30/30/86/279303086.db2.gz NIWRRUBWRNSBBN-QGZVFWFLSA-N 1 3 335.467 2.622 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)cc1C ZINC000434189475 279303087 /nfs/dbraw/zinc/30/30/87/279303087.db2.gz NIWRRUBWRNSBBN-QGZVFWFLSA-N 1 3 335.467 2.622 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000357923689 279369003 /nfs/dbraw/zinc/36/90/03/279369003.db2.gz UHBRSHDSNITUHM-IAGOWNOFSA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000357923689 279369005 /nfs/dbraw/zinc/36/90/05/279369005.db2.gz UHBRSHDSNITUHM-IAGOWNOFSA-N 1 3 334.508 2.535 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000092428540 279374771 /nfs/dbraw/zinc/37/47/71/279374771.db2.gz QXPCKCHQNCAPQZ-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000092428540 279374775 /nfs/dbraw/zinc/37/47/75/279374775.db2.gz QXPCKCHQNCAPQZ-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C ZINC000361690560 279396592 /nfs/dbraw/zinc/39/65/92/279396592.db2.gz YWOVGKGLQUUATA-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C ZINC000361690560 279396596 /nfs/dbraw/zinc/39/65/96/279396596.db2.gz YWOVGKGLQUUATA-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000353226967 279782470 /nfs/dbraw/zinc/78/24/70/279782470.db2.gz HPSUPLUIRAPMGT-VQTJNVASSA-N 1 3 341.499 2.655 20 0 EFADHO CC(C)[C@@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000347519422 279850952 /nfs/dbraw/zinc/85/09/52/279850952.db2.gz NOXSMUDSOJTXPU-LJQANCHMSA-N 1 3 329.488 2.776 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351975789 288196423 /nfs/dbraw/zinc/19/64/23/288196423.db2.gz ORCPJSIEQUWGAD-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000369087486 280174799 /nfs/dbraw/zinc/17/47/99/280174799.db2.gz ILTLLYVEKBUAIY-RTBURBONSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000369087486 280174803 /nfs/dbraw/zinc/17/48/03/280174803.db2.gz ILTLLYVEKBUAIY-RTBURBONSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000079553417 280184515 /nfs/dbraw/zinc/18/45/15/280184515.db2.gz INSIGOXNKRKUKJ-YTQUADARSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000079553417 280184518 /nfs/dbraw/zinc/18/45/18/280184518.db2.gz INSIGOXNKRKUKJ-YTQUADARSA-N 1 3 331.504 2.742 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000354878640 280250520 /nfs/dbraw/zinc/25/05/20/280250520.db2.gz PFXPEOCWCVNJAO-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000354878640 280250522 /nfs/dbraw/zinc/25/05/22/280250522.db2.gz PFXPEOCWCVNJAO-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@@H]3CCC34CCCC4)CC2)ccn1 ZINC000353236753 280469260 /nfs/dbraw/zinc/46/92/60/280469260.db2.gz RKOORCGCGKBRHB-LJQANCHMSA-N 1 3 328.504 2.906 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000337352893 281818045 /nfs/dbraw/zinc/81/80/45/281818045.db2.gz ZWPLTVQHONCBFV-GOSISDBHSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165726253 281835216 /nfs/dbraw/zinc/83/52/16/281835216.db2.gz PSUBIAHOBXGUIY-FHWLQOOXSA-N 1 3 329.488 2.703 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000444182177 281837586 /nfs/dbraw/zinc/83/75/86/281837586.db2.gz KHWODZCUDYMPKZ-SBHAEUEKSA-N 1 3 341.499 2.575 20 0 EFADHO C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCCN2C2CC2)CCCCC1 ZINC000433549481 282036038 /nfs/dbraw/zinc/03/60/38/282036038.db2.gz IDLDWZDIWMMUTL-KRWDZBQOSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1nc2c(s1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000133066042 282042610 /nfs/dbraw/zinc/04/26/10/282042610.db2.gz FGOOGXHMWRTMJL-WMLDXEAASA-N 1 3 335.517 2.919 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000352275241 289047175 /nfs/dbraw/zinc/04/71/75/289047175.db2.gz ZPJLEJJJABQGHC-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]C1 ZINC000430698141 289134983 /nfs/dbraw/zinc/13/49/83/289134983.db2.gz CAZZETAXZUAZIT-NHCUHLMSSA-N 1 3 341.499 2.501 20 0 EFADHO CN(C)CCN(Cc1ccsc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000458212831 289150273 /nfs/dbraw/zinc/15/02/73/289150273.db2.gz BUCCDBGCBRNOFK-UHFFFAOYSA-N 1 3 335.517 2.513 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000264268921 289280608 /nfs/dbraw/zinc/28/06/08/289280608.db2.gz OIFCXMSHGUVXBI-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129814 289292439 /nfs/dbraw/zinc/29/24/39/289292439.db2.gz OCKTVLQZXAGAQZ-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCCC(=O)OC(C)(C)C ZINC000368356690 289331647 /nfs/dbraw/zinc/33/16/47/289331647.db2.gz CVIMOMJXSGWUGO-IXDOHACOSA-N 1 3 340.508 2.682 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCCOCc1ccccc1 ZINC000363778005 289334243 /nfs/dbraw/zinc/33/42/43/289334243.db2.gz PWFYKAKRGIBQPK-AABGKKOBSA-N 1 3 332.488 2.777 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068697 289369938 /nfs/dbraw/zinc/36/99/38/289369938.db2.gz WMNCJVMHVYWGEP-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)C1CCN(C)CC1 ZINC000249772723 289785414 /nfs/dbraw/zinc/78/54/14/289785414.db2.gz JSCOOFSWHPVKLU-ZVDOUQERSA-N 1 3 343.515 2.874 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@]1(C)CCCO1)C1CCN(C)CC1 ZINC000151151628 289785482 /nfs/dbraw/zinc/78/54/82/289785482.db2.gz RFOHMVMOADCKDR-FQEVSTJZSA-N 1 3 331.504 2.876 20 0 EFADHO C[C@H](O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000411577459 290114690 /nfs/dbraw/zinc/11/46/90/290114690.db2.gz ZGEQJWYJGIMCOY-MOPGFXCFSA-N 1 3 345.531 2.559 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000119291148 292904759 /nfs/dbraw/zinc/90/47/59/292904759.db2.gz QBSFQPNJXAHHAM-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000126949040 293054319 /nfs/dbraw/zinc/05/43/19/293054319.db2.gz YIKCHNUWPKZMNK-SQWLQELKSA-N 1 3 336.476 2.921 20 0 EFADHO CCC1(CO)CCN(C/C=C/C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000128343021 293099859 /nfs/dbraw/zinc/09/98/59/293099859.db2.gz DZTGOCOYRMPNSE-AATRIKPKSA-N 1 3 338.536 2.512 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128475490 293104296 /nfs/dbraw/zinc/10/42/96/293104296.db2.gz COOUIYCBYBTNOL-MSOLQXFVSA-N 1 3 333.520 2.804 20 0 EFADHO CCCCN(CC)C(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130101221 293154594 /nfs/dbraw/zinc/15/45/94/293154594.db2.gz QXQXABOEFJOFAZ-UHFFFAOYSA-N 1 3 346.519 2.878 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130439962 293166017 /nfs/dbraw/zinc/16/60/17/293166017.db2.gz GOUFPOGQXSCTQG-LPHOPBHVSA-N 1 3 343.515 2.575 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000130519364 293169039 /nfs/dbraw/zinc/16/90/39/293169039.db2.gz PIXWRASDWKJYCU-MJGOQNOKSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCN(C)C)C1 ZINC000133419272 293256763 /nfs/dbraw/zinc/25/67/63/293256763.db2.gz JDZOOSPABXPFOG-IRXDYDNUSA-N 1 3 346.519 2.525 20 0 EFADHO Cc1cccc(Cl)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133635691 293263574 /nfs/dbraw/zinc/26/35/74/293263574.db2.gz LVBUJQIHLROJAR-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000152014458 293313586 /nfs/dbraw/zinc/31/35/86/293313586.db2.gz IFHHBWJJWOTKOV-MRXNPFEDSA-N 1 3 325.497 2.565 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)s1 ZINC000152680534 293344568 /nfs/dbraw/zinc/34/45/68/293344568.db2.gz HSQNCZLIFKXAHT-UHFFFAOYSA-N 1 3 325.522 2.611 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000154345567 293421738 /nfs/dbraw/zinc/42/17/38/293421738.db2.gz OPCNMIBVTHPLME-LJQANCHMSA-N 1 3 347.503 2.526 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154358461 293422288 /nfs/dbraw/zinc/42/22/88/293422288.db2.gz OUBFUBDKUCLTAR-GOSISDBHSA-N 1 3 335.467 2.657 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000155710304 293483709 /nfs/dbraw/zinc/48/37/09/293483709.db2.gz MPVJXBXBZLJPLV-VQIMIIECSA-N 1 3 333.545 2.633 20 0 EFADHO C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CCN1C1CC[NH+](C)CC1 ZINC000342675314 297024342 /nfs/dbraw/zinc/02/43/42/297024342.db2.gz PXCDXBOCDGLTKN-UYAOXDASSA-N 1 3 349.563 2.969 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000290101880 294000081 /nfs/dbraw/zinc/00/00/81/294000081.db2.gz JYNNRMWRHTVUPM-ZCNNSNEGSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000290115411 294002953 /nfs/dbraw/zinc/00/29/53/294002953.db2.gz IXNGUALLKBXIPO-VYDXJSESSA-N 1 3 335.517 2.635 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CNC1Cc2ccccc2C1 ZINC000290302530 294051507 /nfs/dbraw/zinc/05/15/07/294051507.db2.gz NRDJRYCHPNRZFC-UHFFFAOYSA-N 1 3 325.456 2.669 20 0 EFADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290306515 294052726 /nfs/dbraw/zinc/05/27/26/294052726.db2.gz COECLMOULJXZSB-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290306515 294052729 /nfs/dbraw/zinc/05/27/29/294052729.db2.gz COECLMOULJXZSB-PKOBYXMFSA-N 1 3 341.499 2.642 20 0 EFADHO COC1(C[C@H](C)NCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000290441623 294087709 /nfs/dbraw/zinc/08/77/09/294087709.db2.gz VPYQFNLFSAKLCO-INIZCTEOSA-N 1 3 335.492 2.849 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CC(C)(C)OC1(C)C ZINC000290447067 294089171 /nfs/dbraw/zinc/08/91/71/294089171.db2.gz VUUOTQDZTWYFBX-KRWDZBQOSA-N 1 3 335.492 2.848 20 0 EFADHO C[C@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000290473986 294095628 /nfs/dbraw/zinc/09/56/28/294095628.db2.gz UXRHBDNQQDRAHR-CYBMUJFWSA-N 1 3 330.394 2.855 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000290487609 294100298 /nfs/dbraw/zinc/10/02/98/294100298.db2.gz VRGSRUXFVJKMDU-ROUUACIJSA-N 1 3 344.455 2.672 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515064 294107389 /nfs/dbraw/zinc/10/73/89/294107389.db2.gz PUVAOYTUCOXPBG-IEBWSBKVSA-N 1 3 327.472 2.512 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515064 294107392 /nfs/dbraw/zinc/10/73/92/294107392.db2.gz PUVAOYTUCOXPBG-IEBWSBKVSA-N 1 3 327.472 2.512 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccnc(Cl)c1Cl ZINC000290937829 294225553 /nfs/dbraw/zinc/22/55/53/294225553.db2.gz SUXLBMGTGCJKTR-CYBMUJFWSA-N 1 3 332.275 2.715 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccnc(Cl)c1Cl ZINC000290937829 294225557 /nfs/dbraw/zinc/22/55/57/294225557.db2.gz SUXLBMGTGCJKTR-CYBMUJFWSA-N 1 3 332.275 2.715 20 0 EFADHO Cn1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)c(C(F)F)n1 ZINC000291226963 294316768 /nfs/dbraw/zinc/31/67/68/294316768.db2.gz PKVGFQUMBYRTCD-UHFFFAOYSA-N 1 3 335.402 2.759 20 0 EFADHO C[C@H](C(=O)NC1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291407414 294373541 /nfs/dbraw/zinc/37/35/41/294373541.db2.gz GAFVUZFHWLZYEQ-QGZVFWFLSA-N 1 3 341.499 2.642 20 0 EFADHO CN1CCC(CC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000291558616 294414779 /nfs/dbraw/zinc/41/47/79/294414779.db2.gz XRRDOIRABYTGCA-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000292079789 294572637 /nfs/dbraw/zinc/57/26/37/294572637.db2.gz LZMJRDWRSISOPW-ROUUACIJSA-N 1 3 345.531 2.963 20 0 EFADHO FC(F)Cn1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000292504507 294704763 /nfs/dbraw/zinc/70/47/63/294704763.db2.gz CQQCFKKGCUOIFT-UHFFFAOYSA-N 1 3 335.402 2.549 20 0 EFADHO CC1(C)OCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000293600663 295008860 /nfs/dbraw/zinc/00/88/60/295008860.db2.gz FYRNKJXKFIIMPC-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293613742 295011686 /nfs/dbraw/zinc/01/16/86/295011686.db2.gz GUEDXVYGKARPLV-INIZCTEOSA-N 1 3 349.475 2.652 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000293613742 295011688 /nfs/dbraw/zinc/01/16/88/295011688.db2.gz GUEDXVYGKARPLV-INIZCTEOSA-N 1 3 349.475 2.652 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293697177 295029902 /nfs/dbraw/zinc/02/99/02/295029902.db2.gz LDRDZGBXGBIVOJ-LJQANCHMSA-N 1 3 347.503 2.542 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703168 295031555 /nfs/dbraw/zinc/03/15/55/295031555.db2.gz OMTPEZSHSJAJNK-SJORKVTESA-N 1 3 347.503 2.540 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703168 295031559 /nfs/dbraw/zinc/03/15/59/295031559.db2.gz OMTPEZSHSJAJNK-SJORKVTESA-N 1 3 347.503 2.540 20 0 EFADHO CC1(C)OCC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000293769153 295045868 /nfs/dbraw/zinc/04/58/68/295045868.db2.gz PMBBRIJDAGMCKD-HXUWFJFHSA-N 1 3 345.531 2.742 20 0 EFADHO CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293788033 295049551 /nfs/dbraw/zinc/04/95/51/295049551.db2.gz UBNOQTVJHBKLNW-SJORKVTESA-N 1 3 349.519 2.830 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803031 295052957 /nfs/dbraw/zinc/05/29/57/295052957.db2.gz AEGGRIOCAUASGW-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803031 295052960 /nfs/dbraw/zinc/05/29/60/295052960.db2.gz AEGGRIOCAUASGW-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293826134 295058457 /nfs/dbraw/zinc/05/84/57/295058457.db2.gz SEQDAOJEVZBSBN-IBGZPJMESA-N 1 3 347.503 2.540 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293935239 295082468 /nfs/dbraw/zinc/08/24/68/295082468.db2.gz QTZZJEJPUKONPN-FQEVSTJZSA-N 1 3 341.455 2.662 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293935239 295082470 /nfs/dbraw/zinc/08/24/70/295082470.db2.gz QTZZJEJPUKONPN-FQEVSTJZSA-N 1 3 341.455 2.662 20 0 EFADHO Cc1sccc1CN1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000293943363 295084267 /nfs/dbraw/zinc/08/42/67/295084267.db2.gz OJTYEWSUPLEFPQ-UHFFFAOYSA-N 1 3 349.544 2.871 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000294215632 295129517 /nfs/dbraw/zinc/12/95/17/295129517.db2.gz CUUGPLNGDVOIHH-SJORKVTESA-N 1 3 337.533 2.714 20 0 EFADHO COc1ccc(OC)c(CNC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000294224003 295130812 /nfs/dbraw/zinc/13/08/12/295130812.db2.gz NSOSDFQZTAHQJG-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO COc1ccc(OC)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000294224003 295130814 /nfs/dbraw/zinc/13/08/14/295130814.db2.gz NSOSDFQZTAHQJG-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000294221919 295130890 /nfs/dbraw/zinc/13/08/90/295130890.db2.gz NROYVPOTALCDNN-QRVBRYPASA-N 1 3 327.472 2.988 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000294309223 295145199 /nfs/dbraw/zinc/14/51/99/295145199.db2.gz VSHXFTRCTKHBLX-MRXNPFEDSA-N 1 3 348.454 2.982 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294344940 295151106 /nfs/dbraw/zinc/15/11/06/295151106.db2.gz SFQUZBBUCCDZSW-HNNXBMFYSA-N 1 3 331.460 2.619 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294344940 295151107 /nfs/dbraw/zinc/15/11/07/295151107.db2.gz SFQUZBBUCCDZSW-HNNXBMFYSA-N 1 3 331.460 2.619 20 0 EFADHO Cc1cnccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000294676860 295205800 /nfs/dbraw/zinc/20/58/00/295205800.db2.gz DSWNGVVKEOPGHO-UHFFFAOYSA-N 1 3 325.456 2.637 20 0 EFADHO CCN1CCN(CCC[NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000294928947 295247177 /nfs/dbraw/zinc/24/71/77/295247177.db2.gz BYHHRLCGGUWLDC-OAHLLOKOSA-N 1 3 325.447 2.686 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000294938294 295248538 /nfs/dbraw/zinc/24/85/38/295248538.db2.gz DODXNHYLZQAHED-KRWDZBQOSA-N 1 3 348.487 2.730 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000295000044 295256168 /nfs/dbraw/zinc/25/61/68/295256168.db2.gz LFDDSEZUFNJVPY-OTWHNJEPSA-N 1 3 325.456 2.590 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295104329 295268547 /nfs/dbraw/zinc/26/85/47/295268547.db2.gz VITBPFGGUAIRNC-HZTRTUMWSA-N 1 3 331.460 2.627 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295104329 295268548 /nfs/dbraw/zinc/26/85/48/295268548.db2.gz VITBPFGGUAIRNC-HZTRTUMWSA-N 1 3 331.460 2.627 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000295107924 295269180 /nfs/dbraw/zinc/26/91/80/295269180.db2.gz WYWMEONJKMYFBF-QKNQBKEWSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000295107924 295269181 /nfs/dbraw/zinc/26/91/81/295269181.db2.gz WYWMEONJKMYFBF-QKNQBKEWSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295107924 295269182 /nfs/dbraw/zinc/26/91/82/295269182.db2.gz WYWMEONJKMYFBF-QKNQBKEWSA-N 1 3 336.483 2.828 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000295145988 295274060 /nfs/dbraw/zinc/27/40/60/295274060.db2.gz JDJHSOQBMYZFNX-INIZCTEOSA-N 1 3 329.488 2.819 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000295231924 295285555 /nfs/dbraw/zinc/28/55/55/295285555.db2.gz RWGXIMFHBNQKOP-QGZVFWFLSA-N 1 3 348.487 2.730 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000295273160 295291236 /nfs/dbraw/zinc/29/12/36/295291236.db2.gz VUXRCJUQTLYBAV-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000295273160 295291238 /nfs/dbraw/zinc/29/12/38/295291238.db2.gz VUXRCJUQTLYBAV-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO CC(C)(O)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000295412599 295315910 /nfs/dbraw/zinc/31/59/10/295315910.db2.gz MVGLIOJQLYZEBM-WOJBJXKFSA-N 1 3 346.515 2.772 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422756480 295325985 /nfs/dbraw/zinc/32/59/85/295325985.db2.gz IXIURXORVUSYDT-HOJAQTOUSA-N 1 3 331.504 2.939 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000295656493 295355890 /nfs/dbraw/zinc/35/58/90/295355890.db2.gz DPOIGOMHZSJWCN-NRSPTQNISA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000295656493 295355891 /nfs/dbraw/zinc/35/58/91/295355891.db2.gz DPOIGOMHZSJWCN-NRSPTQNISA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000295656490 295356004 /nfs/dbraw/zinc/35/60/04/295356004.db2.gz DPOIGOMHZSJWCN-JBACZVJFSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000295656490 295356005 /nfs/dbraw/zinc/35/60/05/295356005.db2.gz DPOIGOMHZSJWCN-JBACZVJFSA-N 1 3 348.531 2.971 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000295702892 295363414 /nfs/dbraw/zinc/36/34/14/295363414.db2.gz FKGIZTOYXKYXQM-FQEVSTJZSA-N 1 3 330.520 2.677 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](c3ccncc3)C2)CC1 ZINC000295702892 295363415 /nfs/dbraw/zinc/36/34/15/295363415.db2.gz FKGIZTOYXKYXQM-FQEVSTJZSA-N 1 3 330.520 2.677 20 0 EFADHO COCC1CCC([NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000295780660 295375076 /nfs/dbraw/zinc/37/50/76/295375076.db2.gz RMLLMYBJWLSQTC-UHFFFAOYSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423100077 298875969 /nfs/dbraw/zinc/87/59/69/298875969.db2.gz BJXJLMWVMZJWSN-CVEARBPZSA-N 1 3 343.471 2.573 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423056112 298982275 /nfs/dbraw/zinc/98/22/75/298982275.db2.gz XDGOMLAQEVESJF-WDSOQIARSA-N 1 3 332.488 2.715 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058586 299001046 /nfs/dbraw/zinc/00/10/46/299001046.db2.gz CQDDEINSNQXJSI-JCURWCKSSA-N 1 3 335.879 2.716 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172918 300176117 /nfs/dbraw/zinc/17/61/17/300176117.db2.gz LMUBQQROQAKPQD-VQIMIIECSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172918 300176119 /nfs/dbraw/zinc/17/61/19/300176119.db2.gz LMUBQQROQAKPQD-VQIMIIECSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N(C)C ZINC000422214481 302200735 /nfs/dbraw/zinc/20/07/35/302200735.db2.gz ZNIRCDQOVDXBAK-LMMKCTJWSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C)N(C)C ZINC000422214481 302200737 /nfs/dbraw/zinc/20/07/37/302200737.db2.gz ZNIRCDQOVDXBAK-LMMKCTJWSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C)CC[C@@H]1C)[NH+](C)C ZINC000357281830 302203324 /nfs/dbraw/zinc/20/33/24/302203324.db2.gz KXIBGGFBNMNBHX-LNLFQRSKSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccsc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190139 302304972 /nfs/dbraw/zinc/30/49/72/302304972.db2.gz KHBSEYKICOBGCJ-MRXNPFEDSA-N 1 3 337.533 2.504 20 0 EFADHO Cc1ccsc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190137 302312308 /nfs/dbraw/zinc/31/23/08/302312308.db2.gz KHBSEYKICOBGCJ-INIZCTEOSA-N 1 3 337.533 2.504 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000423122924 302588862 /nfs/dbraw/zinc/58/88/62/302588862.db2.gz LPZZSJBBENZKGD-PNHOKKKMSA-N 1 3 325.456 2.666 20 0 EFADHO FC(F)Oc1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423071506 303123824 /nfs/dbraw/zinc/12/38/24/303123824.db2.gz OMNAAJUZZDFCJY-OWCLPIDISA-N 1 3 340.414 2.577 20 0 EFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417046538 303779834 /nfs/dbraw/zinc/77/98/34/303779834.db2.gz ZKINAKZQECRZHY-HKUYNNGSSA-N 1 3 344.503 2.512 20 0 EFADHO CC[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000134556358 310643597 /nfs/dbraw/zinc/64/35/97/310643597.db2.gz GLVUIZNPJNGPOS-HXUWFJFHSA-N 1 3 329.488 2.821 20 0 EFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000298547417 311001446 /nfs/dbraw/zinc/00/14/46/311001446.db2.gz DSIMYVOHOYBBBY-IXDOHACOSA-N 1 3 331.504 2.779 20 0 EFADHO CNC(=O)C[C@@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000298547417 311001447 /nfs/dbraw/zinc/00/14/47/311001447.db2.gz DSIMYVOHOYBBBY-IXDOHACOSA-N 1 3 331.504 2.779 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298642608 311010188 /nfs/dbraw/zinc/01/01/88/311010188.db2.gz RMAPAFDXCLBHDS-OGWHTMIXSA-N 1 3 331.504 2.599 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298642608 311010189 /nfs/dbraw/zinc/01/01/89/311010189.db2.gz RMAPAFDXCLBHDS-OGWHTMIXSA-N 1 3 331.504 2.599 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000299352304 311075378 /nfs/dbraw/zinc/07/53/78/311075378.db2.gz RCAWLKINXUIUFQ-FHWLQOOXSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000299352304 311075380 /nfs/dbraw/zinc/07/53/80/311075380.db2.gz RCAWLKINXUIUFQ-FHWLQOOXSA-N 1 3 344.503 2.524 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201867 311116075 /nfs/dbraw/zinc/11/60/75/311116075.db2.gz BYEOXNFLEUDUIZ-KFWWJZLASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201867 311116077 /nfs/dbraw/zinc/11/60/77/311116077.db2.gz BYEOXNFLEUDUIZ-KFWWJZLASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201872 311116182 /nfs/dbraw/zinc/11/61/82/311116182.db2.gz BYEOXNFLEUDUIZ-RBSFLKMASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201872 311116183 /nfs/dbraw/zinc/11/61/83/311116183.db2.gz BYEOXNFLEUDUIZ-RBSFLKMASA-N 1 3 325.497 2.752 20 0 EFADHO CCN(CC)CC(=O)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000301187224 311123541 /nfs/dbraw/zinc/12/35/41/311123541.db2.gz KGOAQYQWLSHDKX-UHFFFAOYSA-N 1 3 340.471 2.534 20 0 EFADHO C[NH+]1CCC(NCc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000302101240 311178009 /nfs/dbraw/zinc/17/80/09/311178009.db2.gz XRIXJHWVCNDIJP-UHFFFAOYSA-N 1 3 333.476 2.895 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000302939616 311208763 /nfs/dbraw/zinc/20/87/63/311208763.db2.gz BGMYVLUGJQDZJA-MJGOQNOKSA-N 1 3 340.556 2.726 20 0 EFADHO CCN(CC[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000310636596 311229838 /nfs/dbraw/zinc/22/98/38/311229838.db2.gz CXEBIAUPBCRMAZ-UHFFFAOYSA-N 1 3 348.491 2.897 20 0 EFADHO COc1ccc(Br)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000312812760 311230798 /nfs/dbraw/zinc/23/07/98/311230798.db2.gz LSPOJLUXLPOUDH-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000325878371 311243677 /nfs/dbraw/zinc/24/36/77/311243677.db2.gz MOYYUQKQPGZKAM-UAFMIMERSA-N 1 3 337.552 2.634 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000333176671 311577985 /nfs/dbraw/zinc/57/79/85/311577985.db2.gz QZVCRXMKYNCPOA-HKUYNNGSSA-N 1 3 341.455 2.659 20 0 EFADHO Cc1nc2ccccc2nc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333901790 311673682 /nfs/dbraw/zinc/67/36/82/311673682.db2.gz ZHWYMTHCWJITGP-OXJNMPFZSA-N 1 3 340.471 2.657 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400575895 311970175 /nfs/dbraw/zinc/97/01/75/311970175.db2.gz OYIRTELKQZRQFQ-LSDHHAIUSA-N 1 3 327.513 2.809 20 0 EFADHO OC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000411506976 311979841 /nfs/dbraw/zinc/97/98/41/311979841.db2.gz QXNDSGZWDZZVNR-HXUWFJFHSA-N 1 3 332.488 2.550 20 0 EFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3ccccc3)cc2)CC1 ZINC000414557608 312050728 /nfs/dbraw/zinc/05/07/28/312050728.db2.gz QBCKDUCIPFNZDD-UHFFFAOYSA-N 1 3 337.467 2.674 20 0 EFADHO C[C@@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414774777 312052302 /nfs/dbraw/zinc/05/23/02/312052302.db2.gz UVYLUQXNNOXEGU-WMLDXEAASA-N 1 3 341.421 2.788 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2ccc(OCC(F)F)cc2)CC12CCOCC2 ZINC000414776318 312052812 /nfs/dbraw/zinc/05/28/12/312052812.db2.gz GZYPVMAHFIVNIU-HNNXBMFYSA-N 1 3 340.414 2.518 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCC[C@H](C)[NH3+] ZINC000414824576 312054446 /nfs/dbraw/zinc/05/44/46/312054446.db2.gz QXUDUVROMGLRBW-WDEREUQCSA-N 1 3 333.354 2.629 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414833524 312055775 /nfs/dbraw/zinc/05/57/75/312055775.db2.gz FWSHVWOBTAQOSE-KBXCAEBGSA-N 1 3 333.476 2.910 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414833573 312056021 /nfs/dbraw/zinc/05/60/21/312056021.db2.gz GKMTYSYDAIYXJB-RYUDHWBXSA-N 1 3 347.381 2.747 20 0 EFADHO Brc1cc2c(c(CNCC[C@@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414843909 312057405 /nfs/dbraw/zinc/05/74/05/312057405.db2.gz QNJFWKDZDSLBQY-LBPRGKRZSA-N 1 3 339.277 2.863 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414853134 312058550 /nfs/dbraw/zinc/05/85/50/312058550.db2.gz RWWGOZZZNAJNSB-KBXCAEBGSA-N 1 3 333.476 2.910 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNCC1(C)CC[NH2+]CC1 ZINC000414898063 312059447 /nfs/dbraw/zinc/05/94/47/312059447.db2.gz FUIBCRWGWLDHSQ-UHFFFAOYSA-N 1 3 344.908 2.613 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414928575 312064768 /nfs/dbraw/zinc/06/47/68/312064768.db2.gz QHDVMBQKUVKNEN-OLZOCXBDSA-N 1 3 332.400 2.588 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414936939 312067161 /nfs/dbraw/zinc/06/71/61/312067161.db2.gz ZOZOMKFSPLWPEU-OLZOCXBDSA-N 1 3 332.366 2.996 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNCCC[C@H]1CCC[NH2+]1 ZINC000414966588 312068281 /nfs/dbraw/zinc/06/82/81/312068281.db2.gz OQNMZKQTJLVSNY-AWEZNQCLSA-N 1 3 344.908 2.755 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@H](C)CN1 ZINC000414982626 312070752 /nfs/dbraw/zinc/07/07/52/312070752.db2.gz ZKOAJNFWMHQOAP-IAGOWNOFSA-N 1 3 344.503 2.929 20 0 EFADHO CCSc1cccc(CN[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414981032 312071080 /nfs/dbraw/zinc/07/10/80/312071080.db2.gz BFIQDVGVERKPFP-MJGOQNOKSA-N 1 3 347.528 2.535 20 0 EFADHO FC(F)(F)[C@@H](CNCc1csc2ccccc12)N1CC[NH2+]CC1 ZINC000414984891 312071419 /nfs/dbraw/zinc/07/14/19/312071419.db2.gz MJBQJUUPBFTTPK-OAHLLOKOSA-N 1 3 343.418 2.827 20 0 EFADHO Cc1cc(C)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000414985566 312071588 /nfs/dbraw/zinc/07/15/88/312071588.db2.gz NAWLTNOKDMTXAE-INIZCTEOSA-N 1 3 329.410 2.538 20 0 EFADHO CC[C@@H](N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414990949 312072255 /nfs/dbraw/zinc/07/22/55/312072255.db2.gz PQCLCTCKOMGRCX-CQSZACIVSA-N 1 3 340.309 2.740 20 0 EFADHO CC[C@@H]([NH3+])CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414990949 312072257 /nfs/dbraw/zinc/07/22/57/312072257.db2.gz PQCLCTCKOMGRCX-CQSZACIVSA-N 1 3 340.309 2.740 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997223 312074437 /nfs/dbraw/zinc/07/44/37/312074437.db2.gz YJHYNAQLUJVZOZ-DOMZBBRYSA-N 1 3 349.828 2.697 20 0 EFADHO Fc1ccc(Cn2cc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)cn2)cc1 ZINC000415015355 312077564 /nfs/dbraw/zinc/07/75/64/312077564.db2.gz YMEMKNWSWVDOKM-RBUKOAKNSA-N 1 3 328.435 2.548 20 0 EFADHO C[C@@H](CCCC[NH3+])NCc1cc2c(cc1Br)OCO2 ZINC000415015532 312077713 /nfs/dbraw/zinc/07/77/13/312077713.db2.gz ODNSFRKSNMHHGK-JTQLQIEISA-N 1 3 329.238 2.785 20 0 EFADHO COc1cc(Br)c(CN[C@H](C)CCC[NH3+])c(OC)c1 ZINC000415019299 312077959 /nfs/dbraw/zinc/07/79/59/312077959.db2.gz HXBNNDHQEYZLFM-SNVBAGLBSA-N 1 3 331.254 2.683 20 0 EFADHO C[C@@H](CCC[NH3+])NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000415017373 312078124 /nfs/dbraw/zinc/07/81/24/312078124.db2.gz FEYSVWNHIIAKOQ-JTQLQIEISA-N 1 3 328.247 2.791 20 0 EFADHO C[C@H](CCC[NH3+])NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000415025838 312078976 /nfs/dbraw/zinc/07/89/76/312078976.db2.gz RUNUPXUIQNZBOO-SNVBAGLBSA-N 1 3 328.247 2.791 20 0 EFADHO [NH3+]C[C@@H]1CC[C@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000415027231 312079302 /nfs/dbraw/zinc/07/93/02/312079302.db2.gz ARICIDVSTHHUGE-MNOVXSKESA-N 1 3 340.258 2.791 20 0 EFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415035123 312080633 /nfs/dbraw/zinc/08/06/33/312080633.db2.gz KNXXJRSISHKZFL-DGCLKSJQSA-N 1 3 331.441 2.756 20 0 EFADHO COc1cc(Br)c(CN[C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415041713 312082248 /nfs/dbraw/zinc/08/22/48/312082248.db2.gz QCYXCNFDCSGBGH-PWSUYJOCSA-N 1 3 343.265 2.683 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@]1(C)CN ZINC000415057457 312085580 /nfs/dbraw/zinc/08/55/80/312085580.db2.gz SWNSHDGOAOMMAM-GHRYLNIYSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C[C@@]1(C)CN ZINC000415057457 312085581 /nfs/dbraw/zinc/08/55/81/312085581.db2.gz SWNSHDGOAOMMAM-GHRYLNIYSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C[C@@]1(C)CN ZINC000415057459 312085601 /nfs/dbraw/zinc/08/56/01/312085601.db2.gz SWNSHDGOAOMMAM-OBJCFNGXSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C[C@@]1(C)CN ZINC000415057459 312085602 /nfs/dbraw/zinc/08/56/02/312085602.db2.gz SWNSHDGOAOMMAM-OBJCFNGXSA-N 1 3 327.516 2.814 20 0 EFADHO NC[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000415063923 312086467 /nfs/dbraw/zinc/08/64/67/312086467.db2.gz JEIRJUKRVQYIAN-HXUWFJFHSA-N 1 3 333.495 2.940 20 0 EFADHO Cc1cccc([C@@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)C(C)(C)C)c1 ZINC000415080539 312089608 /nfs/dbraw/zinc/08/96/08/312089608.db2.gz LWNVPKVNXISCHT-QFBILLFUSA-N 1 3 331.504 2.869 20 0 EFADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415089464 312091824 /nfs/dbraw/zinc/09/18/24/312091824.db2.gz XXVUUOPTONATSB-VAMGGRTRSA-N 1 3 338.499 2.984 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000415114598 312096752 /nfs/dbraw/zinc/09/67/52/312096752.db2.gz WAIXCZOIJIZJMN-LPHOPBHVSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415128956 312099260 /nfs/dbraw/zinc/09/92/60/312099260.db2.gz OXNRZGAXPWJIBA-MRXNPFEDSA-N 1 3 333.867 2.844 20 0 EFADHO CC(C)COc1cccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415136532 312101486 /nfs/dbraw/zinc/10/14/86/312101486.db2.gz HUBVTZHBJLJXSN-UXHICEINSA-N 1 3 344.499 2.922 20 0 EFADHO Fc1cc2cccnc2c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415142015 312102242 /nfs/dbraw/zinc/10/22/42/312102242.db2.gz QJTFXINJYNFRTO-MSOLQXFVSA-N 1 3 341.430 2.574 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415205006 312113714 /nfs/dbraw/zinc/11/37/14/312113714.db2.gz QBOCWLAQFQQPFK-CVEARBPZSA-N 1 3 348.491 2.574 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310172 312128134 /nfs/dbraw/zinc/12/81/34/312128134.db2.gz OJFGOXBXUVKQGC-GOSISDBHSA-N 1 3 348.491 2.656 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CNCC3)c1 ZINC000415881458 312178742 /nfs/dbraw/zinc/17/87/42/312178742.db2.gz INJOHXYMPPHMED-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415885665 312179247 /nfs/dbraw/zinc/17/92/47/312179247.db2.gz SJLHTZOQSXUYKX-UHFFFAOYSA-N 1 3 344.503 2.966 20 0 EFADHO CNCc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000415937011 312181275 /nfs/dbraw/zinc/18/12/75/312181275.db2.gz WVBKCRRKPHKNCU-KRWDZBQOSA-N 1 3 330.476 2.746 20 0 EFADHO C[C@H]1[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415961435 312185892 /nfs/dbraw/zinc/18/58/92/312185892.db2.gz ROLHMKQJIOAHPM-HNAYVOBHSA-N 1 3 338.455 2.930 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000415967697 312187391 /nfs/dbraw/zinc/18/73/91/312187391.db2.gz DLPCOJNHHIAMGB-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415975025 312188531 /nfs/dbraw/zinc/18/85/31/312188531.db2.gz PCJLFBSRYHMQQY-UHFFFAOYSA-N 1 3 348.491 2.802 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCCCC2)N(C)C)cc1 ZINC000417306922 312206463 /nfs/dbraw/zinc/20/64/63/312206463.db2.gz GRKWTPOAOUOPST-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000417304892 312206529 /nfs/dbraw/zinc/20/65/29/312206529.db2.gz FWDLGIDOAMFLTN-NXHRZFHOSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417336247 312210749 /nfs/dbraw/zinc/21/07/49/312210749.db2.gz WOTUTIGCQJCNSK-ROUUACIJSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000417354175 312213373 /nfs/dbraw/zinc/21/33/73/312213373.db2.gz LFALVALEEPYNFK-WMZOPIPTSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000417354174 312213442 /nfs/dbraw/zinc/21/34/42/312213442.db2.gz LFALVALEEPYNFK-SJLPKXTDSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH3+])CC2)N2CCCC2)cc1 ZINC000417358196 312213716 /nfs/dbraw/zinc/21/37/16/312213716.db2.gz SUQUPSISZYPSQN-CTWPCTMYSA-N 1 3 344.503 2.701 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000417376902 312216033 /nfs/dbraw/zinc/21/60/33/312216033.db2.gz CQMXQIXFEWVBQX-GOEBONIOSA-N 1 3 341.446 2.617 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000417465008 312226657 /nfs/dbraw/zinc/22/66/57/312226657.db2.gz RPXCTQHTMBRPKZ-LJQANCHMSA-N 1 3 342.487 2.869 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000417465008 312226660 /nfs/dbraw/zinc/22/66/60/312226660.db2.gz RPXCTQHTMBRPKZ-LJQANCHMSA-N 1 3 342.487 2.869 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417595791 312245806 /nfs/dbraw/zinc/24/58/06/312245806.db2.gz YKFWCQJHXWENSR-WMZOPIPTSA-N 1 3 334.508 2.522 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417632466 312249730 /nfs/dbraw/zinc/24/97/30/312249730.db2.gz SUQZCQGZGPYXDB-RDJZCZTQSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417636431 312250544 /nfs/dbraw/zinc/25/05/44/312250544.db2.gz XVUFEEPRLKOBHL-FUHWJXTLSA-N 1 3 346.519 2.947 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417635835 312250720 /nfs/dbraw/zinc/25/07/20/312250720.db2.gz WXGRXVFDKRDTGD-XYJFISCASA-N 1 3 346.519 2.933 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417684805 312256576 /nfs/dbraw/zinc/25/65/76/312256576.db2.gz XNLDFEXWRBAQTQ-QZTJIDSGSA-N 1 3 348.535 2.914 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417689538 312257110 /nfs/dbraw/zinc/25/71/10/312257110.db2.gz KGVGUSXWBDKUJO-LZLYRXPVSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000417691867 312257619 /nfs/dbraw/zinc/25/76/19/312257619.db2.gz NLYPUDMTZZBGRU-IXDOHACOSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000417692621 312257670 /nfs/dbraw/zinc/25/76/70/312257670.db2.gz OSOBDSSDCSVQPW-YESZJQIVSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@@H]2C)CC1 ZINC000417691865 312257773 /nfs/dbraw/zinc/25/77/73/312257773.db2.gz NLYPUDMTZZBGRU-IKGGRYGDSA-N 1 3 344.503 2.604 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417695126 312257895 /nfs/dbraw/zinc/25/78/95/312257895.db2.gz TYENIMJTFQFUQH-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417696568 312258421 /nfs/dbraw/zinc/25/84/21/312258421.db2.gz HDOLJGPCGVSZER-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000417760295 312266955 /nfs/dbraw/zinc/26/69/55/312266955.db2.gz XKLRWNWLLXINQD-CCKFTAQKSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000417760295 312266957 /nfs/dbraw/zinc/26/69/57/312266957.db2.gz XKLRWNWLLXINQD-CCKFTAQKSA-N 1 3 340.471 2.622 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417811528 312273321 /nfs/dbraw/zinc/27/33/21/312273321.db2.gz DFJAKTLNNKVPAV-ROUUACIJSA-N 1 3 327.472 2.980 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417826717 312276806 /nfs/dbraw/zinc/27/68/06/312276806.db2.gz CNERSVCJTKNVJP-NZSAHSFTSA-N 1 3 346.519 2.856 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417830014 312277452 /nfs/dbraw/zinc/27/74/52/312277452.db2.gz RJKBFASVGFIGNK-ZHALLVOQSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417843615 312280045 /nfs/dbraw/zinc/28/00/45/312280045.db2.gz QQGRZLLWFZUPJC-BHIYHBOVSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000417852874 312282060 /nfs/dbraw/zinc/28/20/60/312282060.db2.gz ZSQNZRLFQITZMM-AEFFLSMTSA-N 1 3 346.519 2.856 20 0 EFADHO CC1CC[NH+](CCCCNCc2ccccc2C(=O)N(C)C)CC1 ZINC000417872336 312286563 /nfs/dbraw/zinc/28/65/63/312286563.db2.gz NMBNKHHXDWGVCW-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417886899 312289476 /nfs/dbraw/zinc/28/94/76/312289476.db2.gz ZNUXWCYLRSYAJG-NEPXVJNWSA-N 1 3 344.503 2.561 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000417928738 312297229 /nfs/dbraw/zinc/29/72/29/312297229.db2.gz NJKVWBOLGMCEAZ-IEBWSBKVSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000417928738 312297231 /nfs/dbraw/zinc/29/72/31/312297231.db2.gz NJKVWBOLGMCEAZ-IEBWSBKVSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418023243 312310871 /nfs/dbraw/zinc/31/08/71/312310871.db2.gz BJTGPMZENSZYRO-BHIYHBOVSA-N 1 3 346.519 2.583 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418028392 312311978 /nfs/dbraw/zinc/31/19/78/312311978.db2.gz HJZYSWNWBZMHBD-WDSOQIARSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418029439 312312377 /nfs/dbraw/zinc/31/23/77/312312377.db2.gz ITKCSHSEWNXJCJ-ICSRJNTNSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418029438 312312384 /nfs/dbraw/zinc/31/23/84/312312384.db2.gz ITKCSHSEWNXJCJ-AZUAARDMSA-N 1 3 346.519 2.523 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418031725 312312739 /nfs/dbraw/zinc/31/27/39/312312739.db2.gz LDACZDJCHVBSMM-RBUKOAKNSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C[NH3+])CC1 ZINC000418032447 312312903 /nfs/dbraw/zinc/31/29/03/312312903.db2.gz LYUFIEXDKBKYQU-IBGZPJMESA-N 1 3 346.519 2.523 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC1 ZINC000418054043 312317432 /nfs/dbraw/zinc/31/74/32/312317432.db2.gz DMJADUMSNORJOI-SFHVURJKSA-N 1 3 340.471 2.623 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418157994 312336332 /nfs/dbraw/zinc/33/63/32/312336332.db2.gz YALHEEYUWJTCGY-SFHVURJKSA-N 1 3 346.519 2.523 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418156880 312336440 /nfs/dbraw/zinc/33/64/40/312336440.db2.gz XDMBCBMVRGKQTK-SFHVURJKSA-N 1 3 346.519 2.714 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000418164283 312337973 /nfs/dbraw/zinc/33/79/73/312337973.db2.gz ICGCRPPBUXHMEU-ARFHVFGLSA-N 1 3 338.496 2.724 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418165268 312338347 /nfs/dbraw/zinc/33/83/47/312338347.db2.gz YENLIVGTCWYDMM-QZTJIDSGSA-N 1 3 346.519 2.570 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000418171065 312339326 /nfs/dbraw/zinc/33/93/26/312339326.db2.gz UFUSKZUOMWEAFJ-YHUYYLMFSA-N 1 3 336.480 2.526 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1)N(C)C ZINC000418176392 312340192 /nfs/dbraw/zinc/34/01/92/312340192.db2.gz GWJLYHPJBRBCEY-GJYPPUQNSA-N 1 3 346.519 2.755 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000418175981 312340346 /nfs/dbraw/zinc/34/03/46/312340346.db2.gz GMHWEFHYLPQYPT-QFBILLFUSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418175526 312340353 /nfs/dbraw/zinc/34/03/53/312340353.db2.gz GFOHJMLIRODQNO-RDJZCZTQSA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418183347 312341655 /nfs/dbraw/zinc/34/16/55/312341655.db2.gz OKFMWQNIKQXYBZ-BMFAXAFESA-N 1 3 346.519 2.803 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NC(C)(C)C[NH3+])c1ccc(Cl)cc1 ZINC000418182714 312341840 /nfs/dbraw/zinc/34/18/40/312341840.db2.gz NFWKIILJAVBCIL-HNNXBMFYSA-N 1 3 340.899 2.759 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)N(C)C ZINC000418184146 312342254 /nfs/dbraw/zinc/34/22/54/312342254.db2.gz PMDOXISJQDJVEJ-BMFAXAFESA-N 1 3 346.519 2.755 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418187652 312342782 /nfs/dbraw/zinc/34/27/82/312342782.db2.gz SXFQPZYTCOQTTQ-JFIYKMOQSA-N 1 3 334.508 2.803 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418187877 312342824 /nfs/dbraw/zinc/34/28/24/312342824.db2.gz SXFQPZYTCOQTTQ-JZXOWHBKSA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000418187606 312342915 /nfs/dbraw/zinc/34/29/15/312342915.db2.gz SUVXVZSOUDSPJU-WMEZAQDKSA-N 1 3 346.519 2.755 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418189053 312343061 /nfs/dbraw/zinc/34/30/61/312343061.db2.gz HEJPTRDYHPJSLC-QRQLOZEOSA-N 1 3 346.519 2.664 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)N(C)C ZINC000418189797 312343224 /nfs/dbraw/zinc/34/32/24/312343224.db2.gz VRUZZXWMSSAFOF-XPYUAMARSA-N 1 3 346.519 2.613 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC2CC[NH2+]CC2)N(C)C)cc1 ZINC000418190791 312343415 /nfs/dbraw/zinc/34/34/15/312343415.db2.gz JNDJLOIXQAUWJI-IBGZPJMESA-N 1 3 346.519 2.539 20 0 EFADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418191747 312343783 /nfs/dbraw/zinc/34/37/83/312343783.db2.gz LKWROVAKQBQJMH-ROUUACIJSA-N 1 3 334.508 2.524 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NCCCC[NH3+])c1ccc(Cl)cc1 ZINC000418191657 312343865 /nfs/dbraw/zinc/34/38/65/312343865.db2.gz XQPXNIWAQIPFIL-MRXNPFEDSA-N 1 3 340.899 2.761 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000418192820 312344209 /nfs/dbraw/zinc/34/42/09/312344209.db2.gz YWZJUZKMVIWFJS-UOVPBQLFSA-N 1 3 332.492 2.589 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418209783 312347446 /nfs/dbraw/zinc/34/74/46/312347446.db2.gz FTABYYJQHHPUQG-PKOBYXMFSA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH2+]C)C2)N(CC)CC)cc1 ZINC000418213989 312348144 /nfs/dbraw/zinc/34/81/44/312348144.db2.gz LJKSHAYREDOFTL-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418224188 312349884 /nfs/dbraw/zinc/34/98/84/312349884.db2.gz ZQMAFEVMKQKSJK-MAUKXSAKSA-N 1 3 334.508 2.621 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418224190 312349926 /nfs/dbraw/zinc/34/99/26/312349926.db2.gz ZQMAFEVMKQKSJK-YJBOKZPZSA-N 1 3 334.508 2.621 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000418276194 312356229 /nfs/dbraw/zinc/35/62/29/312356229.db2.gz FNJPYHADMQYYOD-VQIMIIECSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000418276194 312356230 /nfs/dbraw/zinc/35/62/30/312356230.db2.gz FNJPYHADMQYYOD-VQIMIIECSA-N 1 3 346.519 2.841 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418298654 312358336 /nfs/dbraw/zinc/35/83/36/312358336.db2.gz QOWRAIAQLTYYPL-UHFFFAOYSA-N 1 3 346.519 2.941 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418473566 312359356 /nfs/dbraw/zinc/35/93/56/312359356.db2.gz UAHFAOWOLZEXJL-SFHVURJKSA-N 1 3 334.508 2.797 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342386 312362620 /nfs/dbraw/zinc/36/26/20/312362620.db2.gz PIBQTXFEQFTYEI-PIKOESSRSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420342462 312362643 /nfs/dbraw/zinc/36/26/43/312362643.db2.gz PKLIZGRPILQUDB-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccc(-c2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cc1 ZINC000420343651 312362851 /nfs/dbraw/zinc/36/28/51/312362851.db2.gz XCXZBZPQJPQXNM-QUCCMNQESA-N 1 3 341.455 2.978 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000420344425 312363402 /nfs/dbraw/zinc/36/34/02/312363402.db2.gz SVZGHNUUYGNPHK-XIRDDKMYSA-N 1 3 349.906 2.839 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000420768479 312386502 /nfs/dbraw/zinc/38/65/02/312386502.db2.gz HVTMHKUNOYODQK-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)N(C)Cc1ccccc1 ZINC000420781351 312389002 /nfs/dbraw/zinc/38/90/02/312389002.db2.gz BAULLLARDUWTRG-IVMQYODDSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792770 312391212 /nfs/dbraw/zinc/39/12/12/312391212.db2.gz PYKRVGKTDKKGKV-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792770 312391216 /nfs/dbraw/zinc/39/12/16/312391216.db2.gz PYKRVGKTDKKGKV-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N(C)C)cc1 ZINC000420792309 312391516 /nfs/dbraw/zinc/39/15/16/312391516.db2.gz JUZDGWJLWJDAHB-CTWPCTMYSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423342948 312413541 /nfs/dbraw/zinc/41/35/41/312413541.db2.gz LCZOUKSUMHJQKW-HNNXBMFYSA-N 1 3 326.444 2.569 20 0 EFADHO CCC[NH+]1CCC(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423361105 312415289 /nfs/dbraw/zinc/41/52/89/312415289.db2.gz WVXOPSKBVNUSBH-SFHVURJKSA-N 1 3 331.504 2.951 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000423367061 312416261 /nfs/dbraw/zinc/41/62/61/312416261.db2.gz YLATXQCGQCITSY-NZSAHSFTSA-N 1 3 331.504 2.868 20 0 EFADHO CSc1ccccc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383985 312418030 /nfs/dbraw/zinc/41/80/30/312418030.db2.gz JQXCAVGRBPOLIY-DOMZBBRYSA-N 1 3 347.450 2.895 20 0 EFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1 ZINC000423387572 312418518 /nfs/dbraw/zinc/41/85/18/312418518.db2.gz MEVKPFVVCQENRN-HOTGVXAUSA-N 1 3 329.410 2.872 20 0 EFADHO CCOc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423394233 312419257 /nfs/dbraw/zinc/41/92/57/312419257.db2.gz RSLXIUMPCSAQPC-CZUORRHYSA-N 1 3 345.409 2.572 20 0 EFADHO Cc1c([C@@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(F)cc1 ZINC000423477467 312421761 /nfs/dbraw/zinc/42/17/61/312421761.db2.gz JXEHJEHLRHPPOX-CZUORRHYSA-N 1 3 331.439 2.898 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cccc(F)c2)cn1 ZINC000423541725 312432035 /nfs/dbraw/zinc/43/20/35/312432035.db2.gz LOGZKMLTKBQMBP-OSGQAZFXSA-N 1 3 328.435 2.626 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccs1)C1CC[NH2+]CC1 ZINC000423768824 312451358 /nfs/dbraw/zinc/45/13/58/312451358.db2.gz DOFSOEJSAQQDAN-OAHLLOKOSA-N 1 3 337.533 2.664 20 0 EFADHO CN(C)C[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000423780056 312452357 /nfs/dbraw/zinc/45/23/57/312452357.db2.gz WBICLPZUTCRIHB-GOSISDBHSA-N 1 3 343.858 2.976 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@H](C)[NH3+] ZINC000423842923 312469066 /nfs/dbraw/zinc/46/90/66/312469066.db2.gz KPVSKUJEMBMMOD-QFBILLFUSA-N 1 3 346.519 2.775 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424049064 312503471 /nfs/dbraw/zinc/50/34/71/312503471.db2.gz YIPUADPWBHARDV-UHFFFAOYSA-N 1 3 341.499 2.632 20 0 EFADHO N[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000424078210 312508564 /nfs/dbraw/zinc/50/85/64/312508564.db2.gz PXTHDKHMCUEGTO-SFHVURJKSA-N 1 3 348.450 2.520 20 0 EFADHO Fc1ccc(-n2cc(CNCC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000446886963 312657843 /nfs/dbraw/zinc/65/78/43/312657843.db2.gz MHYMOPSUHKBBFY-UHFFFAOYSA-N 1 3 328.435 2.975 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(OC)CCCC2)CC1 ZINC000449350422 312687505 /nfs/dbraw/zinc/68/75/05/312687505.db2.gz ZIQSYWHDXWXFCM-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)Oc1ccc2[nH+]ccc(N3CCN(C[C@@H](C)O)CC3)c2c1 ZINC000450468245 312694007 /nfs/dbraw/zinc/69/40/07/312694007.db2.gz NPNHLBVUSWCCOJ-OAHLLOKOSA-N 1 3 329.444 2.525 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000458052358 313062596 /nfs/dbraw/zinc/06/25/96/313062596.db2.gz QHVVHMFPYCYKGQ-GOSISDBHSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1nn(C)cc1CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472348508 313187751 /nfs/dbraw/zinc/18/77/51/313187751.db2.gz QKEKYIRYNVQORQ-UYAOXDASSA-N 1 3 326.488 2.901 20 0 EFADHO C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474627422 313210847 /nfs/dbraw/zinc/21/08/47/313210847.db2.gz ITOBKYAPIWUTIP-YIYPIFLZSA-N 1 3 328.909 2.940 20 0 EFADHO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475017720 313214050 /nfs/dbraw/zinc/21/40/50/313214050.db2.gz RMAPGLNOVYRUFN-RBUKOAKNSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475017720 313214054 /nfs/dbraw/zinc/21/40/54/313214054.db2.gz RMAPGLNOVYRUFN-RBUKOAKNSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475034985 313215320 /nfs/dbraw/zinc/21/53/20/313215320.db2.gz XBFRRCOXSAEJLM-AOIWGVFYSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475034985 313215324 /nfs/dbraw/zinc/21/53/24/313215324.db2.gz XBFRRCOXSAEJLM-AOIWGVFYSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475043007 313215355 /nfs/dbraw/zinc/21/53/55/313215355.db2.gz RWXHCDHXRAUHHE-RBUKOAKNSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475043007 313215358 /nfs/dbraw/zinc/21/53/58/313215358.db2.gz RWXHCDHXRAUHHE-RBUKOAKNSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]2CCCC[C@@H]12 ZINC000475134018 313218408 /nfs/dbraw/zinc/21/84/08/313218408.db2.gz ZLSBMUISNCBAPB-BTHPGYMESA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]2CCCC[C@@H]12 ZINC000475134018 313218411 /nfs/dbraw/zinc/21/84/11/313218411.db2.gz ZLSBMUISNCBAPB-BTHPGYMESA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1CCCC[C@H]1C ZINC000479288552 313264039 /nfs/dbraw/zinc/26/40/39/313264039.db2.gz QLRGXDSNXWIGJO-XMTFNYHQSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1CCCC[C@@H]1C ZINC000479288551 313264194 /nfs/dbraw/zinc/26/41/94/313264194.db2.gz QLRGXDSNXWIGJO-WNRNVDISSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@@H]1C ZINC000479306969 313264658 /nfs/dbraw/zinc/26/46/58/313264658.db2.gz DJAFULKWEQIQTH-SZNINPNASA-N 1 3 336.524 2.516 20 0 EFADHO C[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@@H]1C ZINC000479306969 313264661 /nfs/dbraw/zinc/26/46/61/313264661.db2.gz DJAFULKWEQIQTH-SZNINPNASA-N 1 3 336.524 2.516 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000479381686 313266993 /nfs/dbraw/zinc/26/69/93/313266993.db2.gz VGWMIVUMJNAQAH-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000479729235 313276231 /nfs/dbraw/zinc/27/62/31/313276231.db2.gz PNLNLWPKBQBMGI-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCCCC1(C)C)c1ccccc1 ZINC000481168009 313288024 /nfs/dbraw/zinc/28/80/24/313288024.db2.gz BEWZAJGHBZYYTO-ZWKOTPCHSA-N 1 3 331.504 2.964 20 0 EFADHO C[N@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000485603604 313328611 /nfs/dbraw/zinc/32/86/11/313328611.db2.gz XGIBEQUQVOAYIK-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C1CCCC1 ZINC000485603604 313328615 /nfs/dbraw/zinc/32/86/15/313328615.db2.gz XGIBEQUQVOAYIK-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CN(CCNCC(C)(C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000487163132 313371689 /nfs/dbraw/zinc/37/16/89/313371689.db2.gz VZNDLKBISJYVQE-FQEVSTJZSA-N 1 3 347.547 2.845 20 0 EFADHO CC[C@H]1CN(CCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000487163132 313371693 /nfs/dbraw/zinc/37/16/93/313371693.db2.gz VZNDLKBISJYVQE-FQEVSTJZSA-N 1 3 347.547 2.845 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000487427634 313393196 /nfs/dbraw/zinc/39/31/96/313393196.db2.gz GZYHRBKBDAOIIC-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO CCC1(CNC(=O)/C=C\CN(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000492245362 313922436 /nfs/dbraw/zinc/92/24/36/313922436.db2.gz ZDRCGWGIKIAUAN-FLIBITNWSA-N 1 3 343.515 2.913 20 0 EFADHO O=C(/C=C/c1ccccc1)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000493426625 314352591 /nfs/dbraw/zinc/35/25/91/314352591.db2.gz QHFUFERWIGCKCR-ANRYODRRSA-N 1 3 341.499 2.716 20 0 EFADHO CN(C)CCOc1cc(C[NH2+][C@H]2CCc3ccccc3OC2)ccn1 ZINC000494598544 314612022 /nfs/dbraw/zinc/61/20/22/314612022.db2.gz YEZLWUISQRFKPM-SFHVURJKSA-N 1 3 341.455 2.505 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494637534 314616601 /nfs/dbraw/zinc/61/66/01/314616601.db2.gz LRFGZHJUGQEOHE-SJLPKXTDSA-N 1 3 329.488 2.860 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494672877 314622138 /nfs/dbraw/zinc/62/21/38/314622138.db2.gz IOMFJUGMRNMHHE-OAHLLOKOSA-N 1 3 330.476 2.663 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000496103850 314946160 /nfs/dbraw/zinc/94/61/60/314946160.db2.gz NDWZOZOMIKEUTR-KBPBESRZSA-N 1 3 348.491 2.756 20 0 EFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496108864 314947851 /nfs/dbraw/zinc/94/78/51/314947851.db2.gz UTQQJVXAYOIROF-JFIYKMOQSA-N 1 3 331.460 2.628 20 0 EFADHO CCN1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293661 315015692 /nfs/dbraw/zinc/01/56/92/315015692.db2.gz MPVQKRRPFQDFBF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293661 315015693 /nfs/dbraw/zinc/01/56/93/315015693.db2.gz MPVQKRRPFQDFBF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293661 315015695 /nfs/dbraw/zinc/01/56/95/315015695.db2.gz MPVQKRRPFQDFBF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1)CN(C)C ZINC000496343445 315034031 /nfs/dbraw/zinc/03/40/31/315034031.db2.gz MQBDPXKHQVWWQB-QQFBHYJXSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000496354591 315037634 /nfs/dbraw/zinc/03/76/34/315037634.db2.gz CEGUAQDKHLREMX-MKSNKDDYSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@@H](N)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496471579 315078369 /nfs/dbraw/zinc/07/83/69/315078369.db2.gz MDVGIYKQSDGTKG-CVEARBPZSA-N 1 3 333.476 2.751 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477302 315080959 /nfs/dbraw/zinc/08/09/59/315080959.db2.gz SNKWTWVIKPWUQG-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477302 315080961 /nfs/dbraw/zinc/08/09/61/315080961.db2.gz SNKWTWVIKPWUQG-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477302 315080962 /nfs/dbraw/zinc/08/09/62/315080962.db2.gz SNKWTWVIKPWUQG-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CC(C)[N@H+](C)CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496481794 315082953 /nfs/dbraw/zinc/08/29/53/315082953.db2.gz RLNXSQGDRMCUFX-UHFFFAOYSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@@H+](C)CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496481794 315082954 /nfs/dbraw/zinc/08/29/54/315082954.db2.gz RLNXSQGDRMCUFX-UHFFFAOYSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N(C)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496481794 315082957 /nfs/dbraw/zinc/08/29/57/315082957.db2.gz RLNXSQGDRMCUFX-UHFFFAOYSA-N 1 3 325.497 2.706 20 0 EFADHO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000496518290 315096579 /nfs/dbraw/zinc/09/65/79/315096579.db2.gz JCXAVRAEYCBGJZ-HOTGVXAUSA-N 1 3 346.475 2.507 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577094 315117378 /nfs/dbraw/zinc/11/73/78/315117378.db2.gz HAGWCHISBFIYHO-FXUDXRNXSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577094 315117380 /nfs/dbraw/zinc/11/73/80/315117380.db2.gz HAGWCHISBFIYHO-FXUDXRNXSA-N 1 3 325.497 2.752 20 0 EFADHO CC[N@H+](CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1)CC(C)C ZINC000496596389 315124469 /nfs/dbraw/zinc/12/44/69/315124469.db2.gz PLYMQSPLWWZRSZ-KRWDZBQOSA-N 1 3 325.497 2.517 20 0 EFADHO CC[N@@H+](CCC1CCN(C[C@@H]2CN(C)C(=O)O2)CC1)CC(C)C ZINC000496596389 315124472 /nfs/dbraw/zinc/12/44/72/315124472.db2.gz PLYMQSPLWWZRSZ-KRWDZBQOSA-N 1 3 325.497 2.517 20 0 EFADHO COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000496691513 315159040 /nfs/dbraw/zinc/15/90/40/315159040.db2.gz AIYXINUDXOMSQT-CYBMUJFWSA-N 1 3 342.443 2.920 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000496812010 315204935 /nfs/dbraw/zinc/20/49/35/315204935.db2.gz WFJMUOLGDYCURP-JKSUJKDBSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000496812010 315204937 /nfs/dbraw/zinc/20/49/37/315204937.db2.gz WFJMUOLGDYCURP-JKSUJKDBSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000496812010 315204940 /nfs/dbraw/zinc/20/49/40/315204940.db2.gz WFJMUOLGDYCURP-JKSUJKDBSA-N 1 3 327.513 2.667 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000496900339 315236545 /nfs/dbraw/zinc/23/65/45/315236545.db2.gz GMGHLBQVVIZXOD-HOTGVXAUSA-N 1 3 337.508 2.707 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000496900339 315236548 /nfs/dbraw/zinc/23/65/48/315236548.db2.gz GMGHLBQVVIZXOD-HOTGVXAUSA-N 1 3 337.508 2.707 20 0 EFADHO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@H]2CCCNC2)CC1 ZINC000497006686 315275413 /nfs/dbraw/zinc/27/54/13/315275413.db2.gz BHAUXTYLPJMSBO-IBGZPJMESA-N 1 3 345.487 2.624 20 0 EFADHO CC(C)[C@H]([NH3+])CNCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497010319 315276667 /nfs/dbraw/zinc/27/66/67/315276667.db2.gz WWTUDVHTARSDGM-GOSISDBHSA-N 1 3 333.476 2.608 20 0 EFADHO CC(C)[C@@H]([NH3+])CNCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497010320 315276905 /nfs/dbraw/zinc/27/69/05/315276905.db2.gz WWTUDVHTARSDGM-SFHVURJKSA-N 1 3 333.476 2.608 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497061348 315296012 /nfs/dbraw/zinc/29/60/12/315296012.db2.gz FNGCSENSIAQGGO-MRXNPFEDSA-N 1 3 327.513 2.859 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNCCCNC(=O)OC(C)(C)C)C1 ZINC000497061348 315296016 /nfs/dbraw/zinc/29/60/16/315296016.db2.gz FNGCSENSIAQGGO-MRXNPFEDSA-N 1 3 327.513 2.859 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNCCCNC(=O)OC(C)(C)C)C1 ZINC000497061348 315296018 /nfs/dbraw/zinc/29/60/18/315296018.db2.gz FNGCSENSIAQGGO-MRXNPFEDSA-N 1 3 327.513 2.859 20 0 EFADHO C[C@H]1C[C@@H]([NH3+])CCN1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128085 315319469 /nfs/dbraw/zinc/31/94/69/315319469.db2.gz ILKMMZLAMSCYBT-LPHOPBHVSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@H]1C[C@@H](N)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128085 315319473 /nfs/dbraw/zinc/31/94/73/315319473.db2.gz ILKMMZLAMSCYBT-LPHOPBHVSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@H]1C[C@@H](N)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128085 315319477 /nfs/dbraw/zinc/31/94/77/315319477.db2.gz ILKMMZLAMSCYBT-LPHOPBHVSA-N 1 3 345.487 2.847 20 0 EFADHO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000497141201 315325050 /nfs/dbraw/zinc/32/50/50/315325050.db2.gz DERTVIJXTNKZRI-DLBZAZTESA-N 1 3 325.497 2.852 20 0 EFADHO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000497141201 315325051 /nfs/dbraw/zinc/32/50/51/315325051.db2.gz DERTVIJXTNKZRI-DLBZAZTESA-N 1 3 325.497 2.852 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497161161 315332603 /nfs/dbraw/zinc/33/26/03/315332603.db2.gz OUHABIGGNNWDAK-OAHLLOKOSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497291594 315382153 /nfs/dbraw/zinc/38/21/53/315382153.db2.gz DADNVRDGYZTPCV-OAHLLOKOSA-N 1 3 325.497 2.611 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000501931649 315430648 /nfs/dbraw/zinc/43/06/48/315430648.db2.gz VSOZDVZSGKAJEM-PXNSSMCTSA-N 1 3 343.515 2.854 20 0 EFADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000515517345 315624403 /nfs/dbraw/zinc/62/44/03/315624403.db2.gz RSELUWUHGAJQOI-FXAWDEMLSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000521216973 316007792 /nfs/dbraw/zinc/00/77/92/316007792.db2.gz YMBDBSNJGBAXLK-DLBZAZTESA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000521751978 316041702 /nfs/dbraw/zinc/04/17/02/316041702.db2.gz IJFFQLVNJLOSMC-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000521751978 316041704 /nfs/dbraw/zinc/04/17/04/316041704.db2.gz IJFFQLVNJLOSMC-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000521897597 316051521 /nfs/dbraw/zinc/05/15/21/316051521.db2.gz LXNUKLWIOAMXIX-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000521897597 316051522 /nfs/dbraw/zinc/05/15/22/316051522.db2.gz LXNUKLWIOAMXIX-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000521983211 316058752 /nfs/dbraw/zinc/05/87/52/316058752.db2.gz IAQSPIAVYWRZKJ-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000521995800 316060501 /nfs/dbraw/zinc/06/05/01/316060501.db2.gz QWSWDPNTOJYBOJ-GOSISDBHSA-N 1 3 334.504 2.841 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1)C1CC1 ZINC000522316574 316088762 /nfs/dbraw/zinc/08/87/62/316088762.db2.gz UKGQHGCWUWYCDU-MRXNPFEDSA-N 1 3 329.488 2.885 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)N2CCCC2)cc1)C1CC1 ZINC000522316574 316088766 /nfs/dbraw/zinc/08/87/66/316088766.db2.gz UKGQHGCWUWYCDU-MRXNPFEDSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000524425753 316157239 /nfs/dbraw/zinc/15/72/39/316157239.db2.gz OWBUCNVHWPCYKE-NEWSRXKRSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC12CC2 ZINC000527864727 316482341 /nfs/dbraw/zinc/48/23/41/316482341.db2.gz DSMBANXUKRNHBB-LPHOPBHVSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530030806 317033383 /nfs/dbraw/zinc/03/33/83/317033383.db2.gz WNYAFNWWSJUADT-LPHOPBHVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530030806 317033386 /nfs/dbraw/zinc/03/33/86/317033386.db2.gz WNYAFNWWSJUADT-LPHOPBHVSA-N 1 3 333.520 2.774 20 0 EFADHO COCCC1CCN([C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000530212056 317081146 /nfs/dbraw/zinc/08/11/46/317081146.db2.gz OEKDIJBUWZBVIB-ICSRJNTNSA-N 1 3 330.472 2.991 20 0 EFADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530221307 317084242 /nfs/dbraw/zinc/08/42/42/317084242.db2.gz PBQYHNSUMXXQTG-CEXWTWQISA-N 1 3 345.462 2.905 20 0 EFADHO c1nc(-c2ccccc2)[nH]c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249640 317091265 /nfs/dbraw/zinc/09/12/65/317091265.db2.gz WZSIFKILKURLCN-IBGZPJMESA-N 1 3 340.471 2.667 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249063 317091334 /nfs/dbraw/zinc/09/13/34/317091334.db2.gz TWUQQRDWVYIVAM-GOSISDBHSA-N 1 3 341.455 2.531 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@H](C)C1CCCCC1 ZINC000530656206 317161207 /nfs/dbraw/zinc/16/12/07/317161207.db2.gz QUDGEUXKYWQULB-DLBZAZTESA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)c1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530880337 317190497 /nfs/dbraw/zinc/19/04/97/317190497.db2.gz UZMAQJHGADYBKC-UHFFFAOYSA-N 1 3 333.520 2.694 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CCC[N@H+](C)C1 ZINC000531141919 317225627 /nfs/dbraw/zinc/22/56/27/317225627.db2.gz WRLIDBPHLBAISI-CYBMUJFWSA-N 1 3 346.427 2.659 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@H]1CCC[N@@H+](C)C1 ZINC000531141919 317225631 /nfs/dbraw/zinc/22/56/31/317225631.db2.gz WRLIDBPHLBAISI-CYBMUJFWSA-N 1 3 346.427 2.659 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CCC[N@H+](C)C1 ZINC000531141920 317225831 /nfs/dbraw/zinc/22/58/31/317225831.db2.gz WRLIDBPHLBAISI-ZDUSSCGKSA-N 1 3 346.427 2.659 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1CCC[N@@H+](C)C1 ZINC000531141920 317225833 /nfs/dbraw/zinc/22/58/33/317225833.db2.gz WRLIDBPHLBAISI-ZDUSSCGKSA-N 1 3 346.427 2.659 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000531146692 317226633 /nfs/dbraw/zinc/22/66/33/317226633.db2.gz QBEZIAXHTKIKPZ-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000531146692 317226638 /nfs/dbraw/zinc/22/66/38/317226638.db2.gz QBEZIAXHTKIKPZ-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963109 317337246 /nfs/dbraw/zinc/33/72/46/317337246.db2.gz CXUSKTXZTITZTI-HNAYVOBHSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963109 317337250 /nfs/dbraw/zinc/33/72/50/317337250.db2.gz CXUSKTXZTITZTI-HNAYVOBHSA-N 1 3 338.455 2.764 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(CC(C)(C)C)CC(C)(C)C)CC1 ZINC000538219318 317690706 /nfs/dbraw/zinc/69/07/06/317690706.db2.gz JMMQKNIHFRVOEH-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000540190184 317741300 /nfs/dbraw/zinc/74/13/00/317741300.db2.gz GCELOGNXBQLTRL-FPOVZHCZSA-N 1 3 345.531 2.994 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000540597784 317747608 /nfs/dbraw/zinc/74/76/08/317747608.db2.gz ZBGOAUQGIALKMW-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483476 318112824 /nfs/dbraw/zinc/11/28/24/318112824.db2.gz UVKYJZFHROAZEW-IHPCNDPISA-N 1 3 332.488 2.682 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483476 318112827 /nfs/dbraw/zinc/11/28/27/318112827.db2.gz UVKYJZFHROAZEW-IHPCNDPISA-N 1 3 332.488 2.682 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000548883068 318153657 /nfs/dbraw/zinc/15/36/57/318153657.db2.gz KFQLHKLPFIBDCJ-IBGZPJMESA-N 1 3 342.487 2.757 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000551419636 318207153 /nfs/dbraw/zinc/20/71/53/318207153.db2.gz PBZOAIAMPJZYNZ-IEBWSBKVSA-N 1 3 332.488 2.872 20 0 EFADHO O=C(C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)NCCN1CCCCCC1 ZINC000552064610 318240975 /nfs/dbraw/zinc/24/09/75/318240975.db2.gz BBBKWTLXOYTTDL-WOJBJXKFSA-N 1 3 343.515 2.905 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000552275826 318250667 /nfs/dbraw/zinc/25/06/67/318250667.db2.gz BGGVYSFDJVMXHI-PCCBWWKXSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000552275826 318250668 /nfs/dbraw/zinc/25/06/68/318250668.db2.gz BGGVYSFDJVMXHI-PCCBWWKXSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000552275826 318250671 /nfs/dbraw/zinc/25/06/71/318250671.db2.gz BGGVYSFDJVMXHI-PCCBWWKXSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000552275825 318250852 /nfs/dbraw/zinc/25/08/52/318250852.db2.gz BGGVYSFDJVMXHI-HBMCJLEFSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000552275825 318250854 /nfs/dbraw/zinc/25/08/54/318250854.db2.gz BGGVYSFDJVMXHI-HBMCJLEFSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000552275825 318250857 /nfs/dbraw/zinc/25/08/57/318250857.db2.gz BGGVYSFDJVMXHI-HBMCJLEFSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000552275827 318251034 /nfs/dbraw/zinc/25/10/34/318251034.db2.gz BGGVYSFDJVMXHI-PWRODBHTSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H](NCCN4CCC4)[C@@H]3C2)cc1 ZINC000552275827 318251036 /nfs/dbraw/zinc/25/10/36/318251036.db2.gz BGGVYSFDJVMXHI-PWRODBHTSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000552275827 318251038 /nfs/dbraw/zinc/25/10/38/318251038.db2.gz BGGVYSFDJVMXHI-PWRODBHTSA-N 1 3 327.516 2.973 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1OC ZINC000552337355 318252950 /nfs/dbraw/zinc/25/29/50/318252950.db2.gz RLKKIQMJUIXZET-CVEARBPZSA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1OC ZINC000552337355 318252952 /nfs/dbraw/zinc/25/29/52/318252952.db2.gz RLKKIQMJUIXZET-CVEARBPZSA-N 1 3 333.476 2.876 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552360950 318253867 /nfs/dbraw/zinc/25/38/67/318253867.db2.gz ZZSPDSUSAHDEEF-KZNAEPCWSA-N 1 3 346.519 2.623 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000552965213 318267127 /nfs/dbraw/zinc/26/71/27/318267127.db2.gz TYPWFHLPZRDUMQ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C(C)C)CC2)CC1 ZINC000553051492 318269382 /nfs/dbraw/zinc/26/93/82/318269382.db2.gz PTCUIAZTZAIGGZ-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553127438 318271417 /nfs/dbraw/zinc/27/14/17/318271417.db2.gz HHBVHCHRNMLYQM-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553127438 318271419 /nfs/dbraw/zinc/27/14/19/318271419.db2.gz HHBVHCHRNMLYQM-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)CC1 ZINC000553199587 318274322 /nfs/dbraw/zinc/27/43/22/318274322.db2.gz IYVGYGGHFANBGM-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000554217573 318303978 /nfs/dbraw/zinc/30/39/78/318303978.db2.gz CTOZSXVVQDSGPI-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(NC(=O)CCNCc2ccc(C[NH+](C)C)cc2)nc1 ZINC000557805723 318451709 /nfs/dbraw/zinc/45/17/09/318451709.db2.gz NNMUQONCULJYSH-UHFFFAOYSA-N 1 3 326.444 2.570 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000558623891 318478685 /nfs/dbraw/zinc/47/86/85/318478685.db2.gz ZJJDRPUJUGCPCW-LJQANCHMSA-N 1 3 332.488 2.718 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc2c1CCNC2 ZINC000561046558 318584368 /nfs/dbraw/zinc/58/43/68/318584368.db2.gz UMEVEPVGJUPKBU-UHFFFAOYSA-N 1 3 330.476 2.766 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000562811296 318703469 /nfs/dbraw/zinc/70/34/69/318703469.db2.gz XJIHRVLZLLQREW-RYQLBKOJSA-N 1 3 344.503 2.509 20 0 EFADHO COc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1OCc1cccnc1 ZINC000563135572 318744530 /nfs/dbraw/zinc/74/45/30/318744530.db2.gz NDOULDIRLQNVDO-GJZGRUSLSA-N 1 3 329.444 2.885 20 0 EFADHO O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000563442871 318785970 /nfs/dbraw/zinc/78/59/70/318785970.db2.gz BCTIQQDBLCLJRZ-MJGOQNOKSA-N 1 3 333.520 2.917 20 0 EFADHO CN(C)C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000563506121 318790605 /nfs/dbraw/zinc/79/06/05/318790605.db2.gz NTBZTAKTRABUHA-SFHVURJKSA-N 1 3 342.418 2.853 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000563625897 318804861 /nfs/dbraw/zinc/80/48/61/318804861.db2.gz ZQMVYCCSHGLFCJ-VQTJNVASSA-N 1 3 341.499 2.744 20 0 EFADHO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000564938967 318913253 /nfs/dbraw/zinc/91/32/53/318913253.db2.gz XDGONTBECQCKKQ-KXBFYZLASA-N 1 3 340.471 2.636 20 0 EFADHO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000564938964 318913300 /nfs/dbraw/zinc/91/33/00/318913300.db2.gz XDGONTBECQCKKQ-BEFAXECRSA-N 1 3 340.471 2.636 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)COc1cccc2ccccc21)C1=CCN(C)CC1 ZINC000565771100 319000806 /nfs/dbraw/zinc/00/08/06/319000806.db2.gz XWCCGKFMFLKRCV-VQIMIIECSA-N 1 3 340.467 2.820 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)C1=CCN(C)CC1 ZINC000565771097 319000814 /nfs/dbraw/zinc/00/08/14/319000814.db2.gz XWCCGKFMFLKRCV-APWZRJJASA-N 1 3 340.467 2.820 20 0 EFADHO FC(F)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565827632 319006434 /nfs/dbraw/zinc/00/64/34/319006434.db2.gz QGYQTPNTIUILJF-IXDOHACOSA-N 1 3 340.414 2.577 20 0 EFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1cccc(Cl)c1F)C1CC1 ZINC000565888160 319012290 /nfs/dbraw/zinc/01/22/90/319012290.db2.gz JGBHFRHLTVYVFC-CYBMUJFWSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1cccc(Cl)c1F)C1CC1 ZINC000565888160 319012292 /nfs/dbraw/zinc/01/22/92/319012292.db2.gz JGBHFRHLTVYVFC-CYBMUJFWSA-N 1 3 328.859 2.801 20 0 EFADHO C[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566090844 319031004 /nfs/dbraw/zinc/03/10/04/319031004.db2.gz PTXCGLZYSUWCGO-YJBOKZPZSA-N 1 3 336.524 2.613 20 0 EFADHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000566091160 319031522 /nfs/dbraw/zinc/03/15/22/319031522.db2.gz UVUANESOVMBLBK-RSPOEFSDSA-N 1 3 341.503 2.932 20 0 EFADHO CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000566091160 319031524 /nfs/dbraw/zinc/03/15/24/319031524.db2.gz UVUANESOVMBLBK-RSPOEFSDSA-N 1 3 341.503 2.932 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccccc1 ZINC000566092262 319031637 /nfs/dbraw/zinc/03/16/37/319031637.db2.gz VRJPTUAXRCLJSZ-QMCVQRASSA-N 1 3 325.460 2.614 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000566105890 319032737 /nfs/dbraw/zinc/03/27/37/319032737.db2.gz AHTIXMOFNZFKOX-FXAWDEMLSA-N 1 3 334.504 2.796 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000566105890 319032738 /nfs/dbraw/zinc/03/27/38/319032738.db2.gz AHTIXMOFNZFKOX-FXAWDEMLSA-N 1 3 334.504 2.796 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000566112180 319034288 /nfs/dbraw/zinc/03/42/88/319034288.db2.gz LFTLBZQPNBGZQK-PXCRPINLSA-N 1 3 346.515 2.904 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000566112180 319034290 /nfs/dbraw/zinc/03/42/90/319034290.db2.gz LFTLBZQPNBGZQK-PXCRPINLSA-N 1 3 346.515 2.904 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000566131504 319037903 /nfs/dbraw/zinc/03/79/03/319037903.db2.gz MAKOCPVWFUCUAM-XJKSGUPXSA-N 1 3 342.405 2.849 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000566194461 319046108 /nfs/dbraw/zinc/04/61/08/319046108.db2.gz XRHLMCHEXQKMEF-BQFCYCMXSA-N 1 3 332.492 2.557 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000566194464 319046403 /nfs/dbraw/zinc/04/64/03/319046403.db2.gz XRHLMCHEXQKMEF-RYRKJORJSA-N 1 3 332.492 2.557 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccc(F)cc3)CC2)CC1 ZINC000566438072 319076229 /nfs/dbraw/zinc/07/62/29/319076229.db2.gz DYMHTGDFABJDHR-UHFFFAOYSA-N 1 3 347.478 2.985 20 0 EFADHO CC[C@@H]1CC[C@H](C)N1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566449040 319077407 /nfs/dbraw/zinc/07/74/07/319077407.db2.gz PAQBBXJGNVAKFA-FUHWJXTLSA-N 1 3 335.536 2.972 20 0 EFADHO CC[NH2+]CCCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000566551285 319088843 /nfs/dbraw/zinc/08/88/43/319088843.db2.gz MNFBHLPEHMOCJY-LJQANCHMSA-N 1 3 346.519 2.758 20 0 EFADHO C[C@@H]1[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H]1c1ccccc1 ZINC000566909941 319120949 /nfs/dbraw/zinc/12/09/49/319120949.db2.gz SYOSXIHGOJNPMG-JQFCIGGWSA-N 1 3 325.460 2.554 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000566915120 319121903 /nfs/dbraw/zinc/12/19/03/319121903.db2.gz GGJFYQHHFFJOKO-UXHICEINSA-N 1 3 347.547 2.878 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000567123434 319141352 /nfs/dbraw/zinc/14/13/52/319141352.db2.gz HNPCCSXOOYXIDJ-RDBSUJKOSA-N 1 3 338.293 2.887 20 0 EFADHO C[C@@H](NC[C@H](O)COCc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000567228401 319151277 /nfs/dbraw/zinc/15/12/77/319151277.db2.gz SOXIUWHWRSHRCO-PBHICJAKSA-N 1 3 342.911 2.783 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000567382993 319166756 /nfs/dbraw/zinc/16/67/56/319166756.db2.gz GEDICRYMMFMMNK-LNLFQRSKSA-N 1 3 346.519 2.885 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)CC(F)(F)F ZINC000567464487 319173719 /nfs/dbraw/zinc/17/37/19/319173719.db2.gz VNWTWKDFTPNOLH-CYBMUJFWSA-N 1 3 336.423 2.863 20 0 EFADHO N[C@@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000567661444 319193191 /nfs/dbraw/zinc/19/31/91/319193191.db2.gz SKEWFPPMZNNDQU-QZTJIDSGSA-N 1 3 329.488 2.981 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000567700157 319200239 /nfs/dbraw/zinc/20/02/39/319200239.db2.gz GEEDZLLCXLNGQM-GOSISDBHSA-N 1 3 334.504 2.755 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567752269 319207860 /nfs/dbraw/zinc/20/78/60/319207860.db2.gz DNVNAIBUMADXHL-QWHCGFSZSA-N 1 3 339.867 2.845 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000567752269 319207862 /nfs/dbraw/zinc/20/78/62/319207862.db2.gz DNVNAIBUMADXHL-QWHCGFSZSA-N 1 3 339.867 2.845 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000567845398 319216816 /nfs/dbraw/zinc/21/68/16/319216816.db2.gz WTBUCTFYEFMJIN-HHXXYDBFSA-N 1 3 347.478 2.671 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000568156873 319251008 /nfs/dbraw/zinc/25/10/08/319251008.db2.gz IYRWPOVXQWJTHW-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000568162242 319251764 /nfs/dbraw/zinc/25/17/64/319251764.db2.gz RZBKALVSHOLZHY-MBOZVWFJSA-N 1 3 343.515 2.668 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000568227238 319261707 /nfs/dbraw/zinc/26/17/07/319261707.db2.gz VDVBNHJJWVLZAP-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000568347004 319272910 /nfs/dbraw/zinc/27/29/10/319272910.db2.gz LGRTTZJQFXTTKJ-WOJBJXKFSA-N 1 3 332.463 2.756 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000568383492 319278168 /nfs/dbraw/zinc/27/81/68/319278168.db2.gz OCCBSQLDTGUVMJ-SUMWQHHRSA-N 1 3 342.405 2.849 20 0 EFADHO Clc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)nc1 ZINC000568601784 319299504 /nfs/dbraw/zinc/29/95/04/319299504.db2.gz YVHROMIVAITGSW-UHFFFAOYSA-N 1 3 332.835 2.767 20 0 EFADHO CC[N@H+](CCC1CCN(CCNC(=O)NC(C)C)CC1)CC1CC1 ZINC000568756578 319315511 /nfs/dbraw/zinc/31/55/11/319315511.db2.gz LDHDBBGPAUVINE-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@@H+](CCC1CCN(CCNC(=O)NC(C)C)CC1)CC1CC1 ZINC000568756578 319315513 /nfs/dbraw/zinc/31/55/13/319315513.db2.gz LDHDBBGPAUVINE-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO COc1nc2ccccc2cc1CN(C)CCCN(C)CC[NH+](C)C ZINC000568918024 319330772 /nfs/dbraw/zinc/33/07/72/319330772.db2.gz PHQHHEBYKCUNCN-UHFFFAOYSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964371 319334771 /nfs/dbraw/zinc/33/47/71/319334771.db2.gz LEZIQEQNCRVXBI-ZNMIVQPWSA-N 1 3 330.476 2.778 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964371 319334773 /nfs/dbraw/zinc/33/47/73/319334773.db2.gz LEZIQEQNCRVXBI-ZNMIVQPWSA-N 1 3 330.476 2.778 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@H](N)c1ccccc1 ZINC000569086245 319347011 /nfs/dbraw/zinc/34/70/11/319347011.db2.gz PFPYPFWDVBJSFW-ZWKOTPCHSA-N 1 3 329.488 2.703 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000569110097 319349554 /nfs/dbraw/zinc/34/95/54/319349554.db2.gz DWDCOWGGKARTNL-IRXDYDNUSA-N 1 3 345.487 2.618 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000569457681 319382327 /nfs/dbraw/zinc/38/23/27/319382327.db2.gz MKCJYVNPBDZRBC-LZQZEXGQSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@@H](CCc1ccccc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000570951086 319528775 /nfs/dbraw/zinc/52/87/75/319528775.db2.gz TXCUBWCOOWQWNP-KRWDZBQOSA-N 1 3 349.494 2.729 20 0 EFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000571999591 319626987 /nfs/dbraw/zinc/62/69/87/319626987.db2.gz LBOMFUIRQSNFCY-VQTJNVASSA-N 1 3 337.467 2.813 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCCCCN3)cc21 ZINC000573850590 319804841 /nfs/dbraw/zinc/80/48/41/319804841.db2.gz VGECVWMVPBWPRO-QGZVFWFLSA-N 1 3 328.460 2.674 20 0 EFADHO Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000574209755 319840750 /nfs/dbraw/zinc/84/07/50/319840750.db2.gz HJEISVSCTHBXTH-LJQANCHMSA-N 1 3 331.460 2.550 20 0 EFADHO CC(C)(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@@H](N)c1ccccc1 ZINC000574862029 319901247 /nfs/dbraw/zinc/90/12/47/319901247.db2.gz UVIXCBGSFBGZBZ-YJBOKZPZSA-N 1 3 338.455 2.562 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000575044219 319919350 /nfs/dbraw/zinc/91/93/50/319919350.db2.gz ODEKWFOEUPQNDW-IBGZPJMESA-N 1 3 340.471 2.556 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)NCCN1CCCCCC1 ZINC000575203098 319934433 /nfs/dbraw/zinc/93/44/33/319934433.db2.gz FJOUXVNVFZDOEF-CABCVRRESA-N 1 3 349.441 2.689 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCC[C@@H](N)C2)cc1 ZINC000575935487 319968305 /nfs/dbraw/zinc/96/83/05/319968305.db2.gz UXSFPFVSQKRBLT-JQHSSLGASA-N 1 3 347.503 2.902 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000576709857 320041376 /nfs/dbraw/zinc/04/13/76/320041376.db2.gz YQYUMYDIRAJQAP-GPMSIDNRSA-N 1 3 333.520 2.630 20 0 EFADHO c1nnc([C@H](C[NH2+]C2CCN(c3ccncc3)CC2)c2ccccc2)[nH]1 ZINC000576802022 320049749 /nfs/dbraw/zinc/04/97/49/320049749.db2.gz DAIOBHSZJVMTHU-LJQANCHMSA-N 1 3 348.454 2.590 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000576986572 320066553 /nfs/dbraw/zinc/06/65/53/320066553.db2.gz MWQXGACFDGGQKU-QGZVFWFLSA-N 1 3 346.519 2.852 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC000576986569 320066614 /nfs/dbraw/zinc/06/66/14/320066614.db2.gz MWQXGACFDGGQKU-KRWDZBQOSA-N 1 3 346.519 2.852 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000577184324 320085996 /nfs/dbraw/zinc/08/59/96/320085996.db2.gz ODBXSNXGLYOHOU-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000577184324 320085998 /nfs/dbraw/zinc/08/59/98/320085998.db2.gz ODBXSNXGLYOHOU-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO [NH3+]C[C@@H]1OCC[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000577267532 320094214 /nfs/dbraw/zinc/09/42/14/320094214.db2.gz BBJGNZFKZNZTQL-SJORKVTESA-N 1 3 342.443 2.554 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]CC2Cc3ccccc3C2)ccn1 ZINC000577447252 320110241 /nfs/dbraw/zinc/11/02/41/320110241.db2.gz MUUDULCVVNKGGZ-UHFFFAOYSA-N 1 3 325.456 2.527 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527669 320119765 /nfs/dbraw/zinc/11/97/65/320119765.db2.gz RSIRIRHOGHYZKV-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527669 320119768 /nfs/dbraw/zinc/11/97/68/320119768.db2.gz RSIRIRHOGHYZKV-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000577548364 320120635 /nfs/dbraw/zinc/12/06/35/320120635.db2.gz HXWWQEQPELVGQX-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000577592921 320124862 /nfs/dbraw/zinc/12/48/62/320124862.db2.gz AZRKLSHGTYXGNG-RTBURBONSA-N 1 3 325.456 2.845 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC[C@@H](C)C1 ZINC000578035706 320167551 /nfs/dbraw/zinc/16/75/51/320167551.db2.gz XQFXPNFZEDPKNF-SJORKVTESA-N 1 3 331.504 2.641 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578121784 320175529 /nfs/dbraw/zinc/17/55/29/320175529.db2.gz OISAXNMXGUOITB-JFRXWTBNSA-N 1 3 344.503 2.639 20 0 EFADHO CCOCC[C@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000578435675 320205940 /nfs/dbraw/zinc/20/59/40/320205940.db2.gz MLYQASSOHHAREZ-FQEVSTJZSA-N 1 3 334.504 2.940 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578502746 320212063 /nfs/dbraw/zinc/21/20/63/320212063.db2.gz FLCRPVRQWNHAQX-GOSISDBHSA-N 1 3 330.476 2.922 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578502746 320212066 /nfs/dbraw/zinc/21/20/66/320212066.db2.gz FLCRPVRQWNHAQX-GOSISDBHSA-N 1 3 330.476 2.922 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC(C)(C)C3)CC2)CC1 ZINC000578520759 320213871 /nfs/dbraw/zinc/21/38/71/320213871.db2.gz BWYDXTYHCOWFNO-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO Clc1cnn2cc(CCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cnc12 ZINC000578637822 320225122 /nfs/dbraw/zinc/22/51/22/320225122.db2.gz ODWGLNAQBJZUJF-USXIJHARSA-N 1 3 347.894 2.826 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000578649904 320226275 /nfs/dbraw/zinc/22/62/75/320226275.db2.gz SKPDRCGKRIAEFJ-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO CCOC(=O)C1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000181130089 323227664 /nfs/dbraw/zinc/22/76/64/323227664.db2.gz VMJGSOFZYKVQIS-VYMRPNJYSA-N 1 3 340.508 2.587 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1(CC)CC ZINC000181491521 323236400 /nfs/dbraw/zinc/23/64/00/323236400.db2.gz TWCXFSNEBWPMEL-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1(C)C ZINC000181492480 323236410 /nfs/dbraw/zinc/23/64/10/323236410.db2.gz LSSNJZRBGWDRJK-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C1(CC)CC ZINC000181491541 323236556 /nfs/dbraw/zinc/23/65/56/323236556.db2.gz TWCXFSNEBWPMEL-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183086429 323315888 /nfs/dbraw/zinc/31/58/88/323315888.db2.gz BBKKHOSQUPRKPW-QZTJIDSGSA-N 1 3 344.565 2.690 20 0 EFADHO C[C@H](CCNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000184945418 323378172 /nfs/dbraw/zinc/37/81/72/323378172.db2.gz ZQIKATFZDWRQQM-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000579088072 323880631 /nfs/dbraw/zinc/88/06/31/323880631.db2.gz SVKWOLDVQYZZOK-QUCCMNQESA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000579348580 323939888 /nfs/dbraw/zinc/93/98/88/323939888.db2.gz UBNBUACEOPWKLM-OTWHNJEPSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000579706153 324016048 /nfs/dbraw/zinc/01/60/48/324016048.db2.gz ZFVMQCUQQSMMAB-IEBWSBKVSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000579706153 324016052 /nfs/dbraw/zinc/01/60/52/324016052.db2.gz ZFVMQCUQQSMMAB-IEBWSBKVSA-N 1 3 331.504 2.575 20 0 EFADHO N[C@@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000579935344 324061287 /nfs/dbraw/zinc/06/12/87/324061287.db2.gz FMSGJBXOOQTOTL-AWEZNQCLSA-N 1 3 330.457 2.639 20 0 EFADHO CSC1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000580027699 324078520 /nfs/dbraw/zinc/07/85/20/324078520.db2.gz YTOVJNJYUZMNHQ-UHFFFAOYSA-N 1 3 341.565 2.585 20 0 EFADHO CSC1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCN(C)CC1 ZINC000580027699 324078527 /nfs/dbraw/zinc/07/85/27/324078527.db2.gz YTOVJNJYUZMNHQ-UHFFFAOYSA-N 1 3 341.565 2.585 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000580065045 324089503 /nfs/dbraw/zinc/08/95/03/324089503.db2.gz HENXCDUDLWGZEL-IBGZPJMESA-N 1 3 332.488 2.731 20 0 EFADHO Cc1nc(CNCCCC[NH+]2CCN(c3ccccc3)CC2)[nH]c1C ZINC000580347296 324147062 /nfs/dbraw/zinc/14/70/62/324147062.db2.gz RFCPNVBKSNUMEH-UHFFFAOYSA-N 1 3 341.503 2.719 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000580378798 324149032 /nfs/dbraw/zinc/14/90/32/324149032.db2.gz UEUUQOXVHVDZBO-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000580378798 324149034 /nfs/dbraw/zinc/14/90/34/324149034.db2.gz UEUUQOXVHVDZBO-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000580525319 324179033 /nfs/dbraw/zinc/17/90/33/324179033.db2.gz SWBURJAYTYKQNT-HBMCJLEFSA-N 1 3 338.499 2.995 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000580629458 324200834 /nfs/dbraw/zinc/20/08/34/324200834.db2.gz HHSFQWHFPMKQAY-NSHDSACASA-N 1 3 329.366 2.764 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCNCC1 ZINC000580629458 324200837 /nfs/dbraw/zinc/20/08/37/324200837.db2.gz HHSFQWHFPMKQAY-NSHDSACASA-N 1 3 329.366 2.764 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc3c2CCNC3)cc1 ZINC000580630511 324201190 /nfs/dbraw/zinc/20/11/90/324201190.db2.gz ONAZZNJOQKZYKW-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](N)c4ccccc43)CC2)nc(C)n1 ZINC000581005694 324285140 /nfs/dbraw/zinc/28/51/40/324285140.db2.gz ALCADDBZUGDOJO-RBUKOAKNSA-N 1 3 337.471 2.797 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)nc(C)n1 ZINC000581005694 324285145 /nfs/dbraw/zinc/28/51/45/324285145.db2.gz ALCADDBZUGDOJO-RBUKOAKNSA-N 1 3 337.471 2.797 20 0 EFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000581007341 324286077 /nfs/dbraw/zinc/28/60/77/324286077.db2.gz MMBXCXRCBYKCKO-FRFSOERESA-N 1 3 342.405 2.996 20 0 EFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C1CC1 ZINC000581007341 324286080 /nfs/dbraw/zinc/28/60/80/324286080.db2.gz MMBXCXRCBYKCKO-FRFSOERESA-N 1 3 342.405 2.996 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109116 324305405 /nfs/dbraw/zinc/30/54/05/324305405.db2.gz RZSNLXFHYVZJEQ-CVEARBPZSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109116 324305408 /nfs/dbraw/zinc/30/54/08/324305408.db2.gz RZSNLXFHYVZJEQ-CVEARBPZSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@H](C[NH2+]Cc1ccncc1OCCN(C)C)Cc1ccccc1 ZINC000581278005 324340693 /nfs/dbraw/zinc/34/06/93/324340693.db2.gz MIVLTUFHUCEUMQ-KRWDZBQOSA-N 1 3 327.472 2.990 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)CN1CCCCC1 ZINC000581305263 324348293 /nfs/dbraw/zinc/34/82/93/324348293.db2.gz AJOAZIJHBMGFGZ-NVXWUHKLSA-N 1 3 340.895 2.791 20 0 EFADHO CN(C)Cc1ccccc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581474884 324386616 /nfs/dbraw/zinc/38/66/16/324386616.db2.gz RDZRUWNWTDVYJP-KRWDZBQOSA-N 1 3 347.528 2.904 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccsc1 ZINC000581873539 324470513 /nfs/dbraw/zinc/47/05/13/324470513.db2.gz XOEGTQBGWSAKCQ-ZBFHGGJFSA-N 1 3 338.521 2.511 20 0 EFADHO CCOC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000583494775 324821660 /nfs/dbraw/zinc/82/16/60/324821660.db2.gz FTJOTABHYKPXNI-QGZVFWFLSA-N 1 3 340.895 2.539 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000583801213 324874327 /nfs/dbraw/zinc/87/43/27/324874327.db2.gz GSVYPGZBOKRDKL-IEBWSBKVSA-N 1 3 344.503 2.594 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000137477505 473207272 /nfs/dbraw/zinc/20/72/72/473207272.db2.gz KSYWZJZVYIASSU-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000137477505 473207276 /nfs/dbraw/zinc/20/72/76/473207276.db2.gz KSYWZJZVYIASSU-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155448139 472551482 /nfs/dbraw/zinc/55/14/82/472551482.db2.gz ZYKUZLKRFBLYCJ-UZLBHIALSA-N 1 3 347.503 2.872 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090178131 472606700 /nfs/dbraw/zinc/60/67/00/472606700.db2.gz ZLHAAKJBFPXBIL-DOTOQJQBSA-N 1 3 347.503 2.677 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000137749975 473211983 /nfs/dbraw/zinc/21/19/83/473211983.db2.gz GHETUHOHOXJLQQ-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000137749975 473211985 /nfs/dbraw/zinc/21/19/85/473211985.db2.gz GHETUHOHOXJLQQ-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000111468537 473214463 /nfs/dbraw/zinc/21/44/63/473214463.db2.gz ZXVKEGKWWRRJAC-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000111468537 473214466 /nfs/dbraw/zinc/21/44/66/473214466.db2.gz ZXVKEGKWWRRJAC-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000111493893 473216037 /nfs/dbraw/zinc/21/60/37/473216037.db2.gz YNFDEMDTAJFZFK-QGZVFWFLSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000111493893 473216043 /nfs/dbraw/zinc/21/60/43/473216043.db2.gz YNFDEMDTAJFZFK-QGZVFWFLSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111493732 473216245 /nfs/dbraw/zinc/21/62/45/473216245.db2.gz DWFAIHHDVBMCNZ-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111493732 473216246 /nfs/dbraw/zinc/21/62/46/473216246.db2.gz DWFAIHHDVBMCNZ-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO c1nc(C2CC2)oc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000628337416 479864687 /nfs/dbraw/zinc/86/46/87/479864687.db2.gz FRJQQXSTTHGQLO-UHFFFAOYSA-N 1 3 326.444 2.949 20 0 EFADHO FC(F)(F)c1cccc(N2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000111824827 473229514 /nfs/dbraw/zinc/22/95/14/473229514.db2.gz XGNTYQDLUVSFEJ-UHFFFAOYSA-N 1 3 327.394 2.827 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000111832029 473230545 /nfs/dbraw/zinc/23/05/45/473230545.db2.gz CWGKODOUCNMTIT-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161625315 473249097 /nfs/dbraw/zinc/24/90/97/473249097.db2.gz GFPFJWSAWXMVHE-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000161631224 473249269 /nfs/dbraw/zinc/24/92/69/473249269.db2.gz RBTYYQFSFQICIT-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000161631224 473249273 /nfs/dbraw/zinc/24/92/73/473249273.db2.gz RBTYYQFSFQICIT-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000184974843 473288724 /nfs/dbraw/zinc/28/87/24/473288724.db2.gz HECWXMDCEYDJGG-NZSAHSFTSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000184974843 473288734 /nfs/dbraw/zinc/28/87/34/473288734.db2.gz HECWXMDCEYDJGG-NZSAHSFTSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185125557 473336682 /nfs/dbraw/zinc/33/66/82/473336682.db2.gz FKMKEBGIDMDQEM-UHFFFAOYSA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000185125557 473336688 /nfs/dbraw/zinc/33/66/88/473336688.db2.gz FKMKEBGIDMDQEM-UHFFFAOYSA-N 1 3 346.519 2.762 20 0 EFADHO Cc1ccc(NC(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)nc1 ZINC000124988726 473338533 /nfs/dbraw/zinc/33/85/33/473338533.db2.gz QCWVYDACYFPWPS-KRWDZBQOSA-N 1 3 330.476 2.525 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000124997614 473339726 /nfs/dbraw/zinc/33/97/26/473339726.db2.gz YBHMIFSTSYGTRK-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CCN(C)C)C2CCCC2)C1 ZINC000124997614 473339731 /nfs/dbraw/zinc/33/97/31/473339731.db2.gz YBHMIFSTSYGTRK-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N(C)C ZINC000125055919 473349100 /nfs/dbraw/zinc/34/91/00/473349100.db2.gz FTCMPTMONLCCDT-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185197924 473360329 /nfs/dbraw/zinc/36/03/29/473360329.db2.gz WJMNAAKEFNKXAS-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)[C@H](C)C1 ZINC000162740884 473378339 /nfs/dbraw/zinc/37/83/39/473378339.db2.gz MIXZRHFYDUYHMR-DNVCBOLYSA-N 1 3 348.535 2.823 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000125237632 473379821 /nfs/dbraw/zinc/37/98/21/473379821.db2.gz HQKFLBWBMKQRIP-GOSISDBHSA-N 1 3 344.503 2.917 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000125237632 473379826 /nfs/dbraw/zinc/37/98/26/473379826.db2.gz HQKFLBWBMKQRIP-GOSISDBHSA-N 1 3 344.503 2.917 20 0 EFADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000185262064 473380444 /nfs/dbraw/zinc/38/04/44/473380444.db2.gz XPPYVBDDBBUANE-UFYCRDLUSA-N 1 3 346.515 2.935 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000177483484 473386886 /nfs/dbraw/zinc/38/68/86/473386886.db2.gz UVZVOPRPVGCEDC-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150973487 473389146 /nfs/dbraw/zinc/38/91/46/473389146.db2.gz XTDREGULKQNRHM-DLBZAZTESA-N 1 3 333.520 2.714 20 0 EFADHO COCc1cc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1OC ZINC000150985522 473391881 /nfs/dbraw/zinc/39/18/81/473391881.db2.gz QBLVTWLUGFXRAP-MRXNPFEDSA-N 1 3 349.519 2.518 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150981993 473391708 /nfs/dbraw/zinc/39/17/08/473391708.db2.gz NPLQKHWBTVCMDW-SJORKVTESA-N 1 3 333.520 2.803 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000355413483 475917021 /nfs/dbraw/zinc/91/70/21/475917021.db2.gz MAPXKXINDSDUQK-ILZDJORESA-N 1 3 335.536 2.878 20 0 EFADHO CC(=O)N1CCC[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000355413483 475917027 /nfs/dbraw/zinc/91/70/27/475917027.db2.gz MAPXKXINDSDUQK-ILZDJORESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000422798459 476781368 /nfs/dbraw/zinc/78/13/68/476781368.db2.gz REEWXHZOTJUEEJ-LJQANCHMSA-N 1 3 329.488 2.800 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)CC(C)(C)C[NH3+] ZINC000430558204 476857486 /nfs/dbraw/zinc/85/74/86/476857486.db2.gz VJJJJSFHGYKJMF-UHFFFAOYSA-N 1 3 327.856 2.594 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CC(C)(C)CN ZINC000430558204 476857492 /nfs/dbraw/zinc/85/74/92/476857492.db2.gz VJJJJSFHGYKJMF-UHFFFAOYSA-N 1 3 327.856 2.594 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC(C)(C)CN ZINC000430558204 476857496 /nfs/dbraw/zinc/85/74/96/476857496.db2.gz VJJJJSFHGYKJMF-UHFFFAOYSA-N 1 3 327.856 2.594 20 0 EFADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416827456 477326216 /nfs/dbraw/zinc/32/62/16/477326216.db2.gz CRQHXPFHCDHSTD-CABCVRRESA-N 1 3 338.521 2.558 20 0 EFADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424338132 477375315 /nfs/dbraw/zinc/37/53/15/477375315.db2.gz TVUHBDQTONNTOQ-HUUCEWRRSA-N 1 3 344.286 2.811 20 0 EFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451496836 478053561 /nfs/dbraw/zinc/05/35/61/478053561.db2.gz KNFNKEZDRCGJJC-QZTJIDSGSA-N 1 3 325.541 2.584 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000421382545 478066442 /nfs/dbraw/zinc/06/64/42/478066442.db2.gz XZNRHOIIVBAESZ-UHFFFAOYSA-N 1 3 347.551 2.630 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000631195656 479952667 /nfs/dbraw/zinc/95/26/67/479952667.db2.gz IULDCYKNZHPTOI-UZLBHIALSA-N 1 3 337.467 2.643 20 0 EFADHO CC[NH+]1CCC(CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000067233191 472009346 /nfs/dbraw/zinc/00/93/46/472009346.db2.gz MBHULGFMCDLGLY-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCN(CC)C1CC1 ZINC000067419971 472032717 /nfs/dbraw/zinc/03/27/17/472032717.db2.gz KOAFHOZLCXJANH-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC(C)CC1 ZINC000067706240 472076103 /nfs/dbraw/zinc/07/61/03/472076103.db2.gz GMLGEKXALSACAZ-HNNXBMFYSA-N 1 3 338.540 2.715 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000025498913 472098510 /nfs/dbraw/zinc/09/85/10/472098510.db2.gz NQNWKIVQZDPACF-ROUUACIJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000025546191 472102075 /nfs/dbraw/zinc/10/20/75/472102075.db2.gz XVHNCJLIXYCTDK-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2cccs2)CC1 ZINC000084381419 472173126 /nfs/dbraw/zinc/17/31/26/472173126.db2.gz RXZSLDKSCZSROH-UHFFFAOYSA-N 1 3 337.533 2.759 20 0 EFADHO CC[NH+](CC)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000042845453 472175014 /nfs/dbraw/zinc/17/50/14/472175014.db2.gz FYAMCDLLTFIJRJ-UHFFFAOYSA-N 1 3 346.519 2.554 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000068366553 472176518 /nfs/dbraw/zinc/17/65/18/472176518.db2.gz YFEXHKVDHOOLPB-FQEVSTJZSA-N 1 3 337.467 2.753 20 0 EFADHO Cc1ccc([C@H](O)C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000075684767 472182412 /nfs/dbraw/zinc/18/24/12/472182412.db2.gz GREGKTPRRGMWDH-DBXWQHBBSA-N 1 3 346.515 2.850 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000075861240 472208965 /nfs/dbraw/zinc/20/89/65/472208965.db2.gz FGQIPBYFIOAIFV-GOSISDBHSA-N 1 3 329.488 2.772 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000075861240 472208974 /nfs/dbraw/zinc/20/89/74/472208974.db2.gz FGQIPBYFIOAIFV-GOSISDBHSA-N 1 3 329.488 2.772 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+]C[C@H]3C[C@@H]4C=C[C@H]3C4)cc2)CC1 ZINC000085313311 472237742 /nfs/dbraw/zinc/23/77/42/472237742.db2.gz JNRKMFANAOTNMV-HSALFYBXSA-N 1 3 326.484 2.945 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000085403570 472243535 /nfs/dbraw/zinc/24/35/35/472243535.db2.gz LVDSTLJQOYDEPY-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000085403570 472243541 /nfs/dbraw/zinc/24/35/41/472243541.db2.gz LVDSTLJQOYDEPY-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cc(C)n(CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000076110276 472275838 /nfs/dbraw/zinc/27/58/38/472275838.db2.gz QTHYFEDYCQEESS-HXUWFJFHSA-N 1 3 326.488 2.954 20 0 EFADHO Cc1cc(C)n(CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000076110276 472275843 /nfs/dbraw/zinc/27/58/43/472275843.db2.gz QTHYFEDYCQEESS-HXUWFJFHSA-N 1 3 326.488 2.954 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)[C@H](C)C2)CC1 ZINC000076111019 472276088 /nfs/dbraw/zinc/27/60/88/472276088.db2.gz UPEVEQOTLLTGIS-QZTJIDSGSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C1=CCN(C)CC1 ZINC000613376372 479979316 /nfs/dbraw/zinc/97/93/16/479979316.db2.gz SYPIONKHHCBPNR-FXAWDEMLSA-N 1 3 341.499 2.633 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+]C2CCN(C(C)C)CC2)cc1C ZINC000069159393 472300747 /nfs/dbraw/zinc/30/07/47/472300747.db2.gz DPGBWKPFIVZLSQ-UHFFFAOYSA-N 1 3 348.487 2.818 20 0 EFADHO Cc1ccc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000056523074 472332630 /nfs/dbraw/zinc/33/26/30/472332630.db2.gz CAWCUJPSUQBMSM-IBGZPJMESA-N 1 3 334.504 2.707 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056524211 472332668 /nfs/dbraw/zinc/33/26/68/472332668.db2.gz ZYPYOXYUZXINIW-KRWDZBQOSA-N 1 3 331.504 2.870 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCCN(C(C)C)CC1 ZINC000076579884 472370739 /nfs/dbraw/zinc/37/07/39/472370739.db2.gz AULHHDRKRYRWJS-UHFFFAOYSA-N 1 3 326.529 2.624 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000045184924 472380512 /nfs/dbraw/zinc/38/05/12/472380512.db2.gz PRIBVFJNEZOACH-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057171884 472390762 /nfs/dbraw/zinc/39/07/62/472390762.db2.gz AEYCDQWSTHZYDD-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057171884 472390765 /nfs/dbraw/zinc/39/07/65/472390765.db2.gz AEYCDQWSTHZYDD-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000057171885 472390958 /nfs/dbraw/zinc/39/09/58/472390958.db2.gz AEYCDQWSTHZYDD-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO CC1CCN(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057171885 472390961 /nfs/dbraw/zinc/39/09/61/472390961.db2.gz AEYCDQWSTHZYDD-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000057171975 472390971 /nfs/dbraw/zinc/39/09/71/472390971.db2.gz TWEQVUIRIBZNID-SFHVURJKSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 ZINC000128093535 472401069 /nfs/dbraw/zinc/40/10/69/472401069.db2.gz VQKHVDNBJPLITM-JSGCOSHPSA-N 1 3 341.858 2.717 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cnc2ccsc2c1 ZINC000128144316 472407789 /nfs/dbraw/zinc/40/77/89/472407789.db2.gz NKASEXYQRFCLJK-KGLIPLIRSA-N 1 3 346.500 2.534 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154291039 472411952 /nfs/dbraw/zinc/41/19/52/472411952.db2.gz YMMLQEORADNXPL-MSOLQXFVSA-N 1 3 333.520 2.804 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000154300222 472413462 /nfs/dbraw/zinc/41/34/62/472413462.db2.gz NIPALXUUNXSXOF-QGZVFWFLSA-N 1 3 349.519 2.520 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000154306747 472413885 /nfs/dbraw/zinc/41/38/85/472413885.db2.gz DZFKVLBUZXVHQO-MRXNPFEDSA-N 1 3 336.499 2.570 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000154313536 472415323 /nfs/dbraw/zinc/41/53/23/472415323.db2.gz YYNJFJKVYTWVKH-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(C)CC2)CC1 ZINC000116521500 472416791 /nfs/dbraw/zinc/41/67/91/472416791.db2.gz VUKMKNZCJWYICJ-MRXNPFEDSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000069770433 472422903 /nfs/dbraw/zinc/42/29/03/472422903.db2.gz BIRPINHQEWYRSR-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000069770433 472422913 /nfs/dbraw/zinc/42/29/13/472422913.db2.gz BIRPINHQEWYRSR-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000069770174 472423100 /nfs/dbraw/zinc/42/31/00/472423100.db2.gz PUGHYPAQYKCVDK-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000154381332 472425760 /nfs/dbraw/zinc/42/57/60/472425760.db2.gz MAHBQNLTBGNOIU-CYBMUJFWSA-N 1 3 329.410 2.782 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000154388596 472427466 /nfs/dbraw/zinc/42/74/66/472427466.db2.gz GWRKUWUDTYCRIC-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423279 472432676 /nfs/dbraw/zinc/43/26/76/472432676.db2.gz CCLRQNGZMSUAED-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO C[C@H](CN1CCOCC1)[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000089427756 472436222 /nfs/dbraw/zinc/43/62/22/472436222.db2.gz RJSJKNBGHIJXAC-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H](CN1CCOCC1)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000089427756 472436228 /nfs/dbraw/zinc/43/62/28/472436228.db2.gz RJSJKNBGHIJXAC-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC000069819452 472444190 /nfs/dbraw/zinc/44/41/90/472444190.db2.gz PFZOJCZPHYHYJH-LJQANCHMSA-N 1 3 346.519 2.723 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC000069819452 472444195 /nfs/dbraw/zinc/44/41/95/472444195.db2.gz PFZOJCZPHYHYJH-LJQANCHMSA-N 1 3 346.519 2.723 20 0 EFADHO Cc1ccc(NC(=O)NCCN2CCCCC2)c(OCC[NH+](C)C)c1 ZINC000154622360 472453700 /nfs/dbraw/zinc/45/37/00/472453700.db2.gz GDMXACFWGQWRJD-UHFFFAOYSA-N 1 3 348.491 2.543 20 0 EFADHO C[C@H](NCc1ccc(C(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154668903 472459156 /nfs/dbraw/zinc/45/91/56/472459156.db2.gz AVHSIIKOFALYSB-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1Cc2ccccc2C1 ZINC000089596786 472464509 /nfs/dbraw/zinc/46/45/09/472464509.db2.gz ROBMVFDDLDPFFN-RTBURBONSA-N 1 3 327.472 2.525 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1Cc2ccccc2C1 ZINC000089596786 472464519 /nfs/dbraw/zinc/46/45/19/472464519.db2.gz ROBMVFDDLDPFFN-RTBURBONSA-N 1 3 327.472 2.525 20 0 EFADHO CC[NH+](CC)CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768069 479989617 /nfs/dbraw/zinc/98/96/17/479989617.db2.gz XSYVKEQYNJBMHM-HNNXBMFYSA-N 1 3 345.409 2.766 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)[C@H](C)C1 ZINC000154959951 472489599 /nfs/dbraw/zinc/48/95/99/472489599.db2.gz VTQMUSDKRCBSID-OCCSQVGLSA-N 1 3 331.382 2.843 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000155096330 472507281 /nfs/dbraw/zinc/50/72/81/472507281.db2.gz PZPQNIWTJDOYDY-SBHAEUEKSA-N 1 3 344.547 2.517 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000155096330 472507287 /nfs/dbraw/zinc/50/72/87/472507287.db2.gz PZPQNIWTJDOYDY-SBHAEUEKSA-N 1 3 344.547 2.517 20 0 EFADHO C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000128993955 472515699 /nfs/dbraw/zinc/51/56/99/472515699.db2.gz BSNGKMGXLMCRIR-MRXNPFEDSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119146157 472530437 /nfs/dbraw/zinc/53/04/37/472530437.db2.gz UJFDRAOTZZSEFD-JKSUJKDBSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119146157 472530443 /nfs/dbraw/zinc/53/04/43/472530443.db2.gz UJFDRAOTZZSEFD-JKSUJKDBSA-N 1 3 336.524 2.565 20 0 EFADHO Cc1cc(NC(=O)[C@@H](C(C)C)N(C)C)ccc1OCC[NH+]1CCCC1 ZINC000119141348 472530566 /nfs/dbraw/zinc/53/05/66/472530566.db2.gz HOTMDRDLPOMXGD-LJQANCHMSA-N 1 3 347.503 2.994 20 0 EFADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H](N)c2ccccc2)CC1 ZINC000119436371 472556244 /nfs/dbraw/zinc/55/62/44/472556244.db2.gz BQSSPYAEJNCGQF-QGZVFWFLSA-N 1 3 341.459 2.569 20 0 EFADHO CC[NH+]1CCC(n2nccc2NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC000119436236 472556530 /nfs/dbraw/zinc/55/65/30/472556530.db2.gz BQSSPYAEJNCGQF-KRWDZBQOSA-N 1 3 341.459 2.569 20 0 EFADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1C ZINC000129772379 472563315 /nfs/dbraw/zinc/56/33/15/472563315.db2.gz PRSSXDPARCLKDQ-BXWFABGCSA-N 1 3 331.504 2.892 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000077644639 472574692 /nfs/dbraw/zinc/57/46/92/472574692.db2.gz RJOMQZXWXSEJAF-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000155625389 472582258 /nfs/dbraw/zinc/58/22/58/472582258.db2.gz HOBCUBLEQUIJTC-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccsc1 ZINC000090038846 472584962 /nfs/dbraw/zinc/58/49/62/472584962.db2.gz QBWDRJFDKLPPNM-CQSZACIVSA-N 1 3 331.485 2.890 20 0 EFADHO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038707 472585281 /nfs/dbraw/zinc/58/52/81/472585281.db2.gz KZILBSVDYLJFER-OAHLLOKOSA-N 1 3 345.512 2.760 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[NH+](C)C ZINC000120039480 472620247 /nfs/dbraw/zinc/62/02/47/472620247.db2.gz UOWJTQWHJIQHBT-LBPRGKRZSA-N 1 3 327.856 2.607 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)c2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000155900137 472635600 /nfs/dbraw/zinc/63/56/00/472635600.db2.gz DFRWZNDWNLHJCV-JXFKEZNVSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)C ZINC000072518398 472670621 /nfs/dbraw/zinc/67/06/21/472670621.db2.gz HAQVOEUMRSALTC-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000120538468 472706872 /nfs/dbraw/zinc/70/68/72/472706872.db2.gz VFELMOXJDCXSDA-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)cc1 ZINC000061635175 472712334 /nfs/dbraw/zinc/71/23/34/472712334.db2.gz QEGBKSMILJYOHW-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000078434412 472715432 /nfs/dbraw/zinc/71/54/32/472715432.db2.gz CQVXECCPFRXUHY-AOIWGVFYSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000078434412 472715440 /nfs/dbraw/zinc/71/54/40/472715440.db2.gz CQVXECCPFRXUHY-AOIWGVFYSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000120601000 472717256 /nfs/dbraw/zinc/71/72/56/472717256.db2.gz UQKPNYYECUAFLP-IYBDPMFKSA-N 1 3 342.487 2.884 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000120623276 472719087 /nfs/dbraw/zinc/71/90/87/472719087.db2.gz AFUFVOACXNZXKB-KRWDZBQOSA-N 1 3 337.533 2.585 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000105083447 472719931 /nfs/dbraw/zinc/71/99/31/472719931.db2.gz PPPNTUQOUPBWSQ-IBGZPJMESA-N 1 3 346.519 2.711 20 0 EFADHO CC(C)[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCC1 ZINC000105090050 472721751 /nfs/dbraw/zinc/72/17/51/472721751.db2.gz FYOLLFSGETYPJG-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132988162 472767551 /nfs/dbraw/zinc/76/75/51/472767551.db2.gz IQBYJPYCLTXFJL-JKSUJKDBSA-N 1 3 346.471 2.609 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132987765 472768103 /nfs/dbraw/zinc/76/81/03/472768103.db2.gz IQBYJPYCLTXFJL-HOTGVXAUSA-N 1 3 346.471 2.609 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804635 472771816 /nfs/dbraw/zinc/77/18/16/472771816.db2.gz LGFVUSDGMUGHNG-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804635 472771822 /nfs/dbraw/zinc/77/18/22/472771822.db2.gz LGFVUSDGMUGHNG-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000091510513 472775335 /nfs/dbraw/zinc/77/53/35/472775335.db2.gz DMJMNKNTDOSQQI-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000091510513 472775340 /nfs/dbraw/zinc/77/53/40/472775340.db2.gz DMJMNKNTDOSQQI-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO CN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000047885647 472776112 /nfs/dbraw/zinc/77/61/12/472776112.db2.gz LWWLSRZMGMRMTC-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000091592790 472781569 /nfs/dbraw/zinc/78/15/69/472781569.db2.gz KHELSQWRAHLPDS-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000091592790 472781573 /nfs/dbraw/zinc/78/15/73/472781573.db2.gz KHELSQWRAHLPDS-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000157090849 472785235 /nfs/dbraw/zinc/78/52/35/472785235.db2.gz INSIGOXNKRKUKJ-QRQLOZEOSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000157090849 472785240 /nfs/dbraw/zinc/78/52/40/472785240.db2.gz INSIGOXNKRKUKJ-QRQLOZEOSA-N 1 3 331.504 2.742 20 0 EFADHO COc1cccc(C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)c1 ZINC000121031691 472786554 /nfs/dbraw/zinc/78/65/54/472786554.db2.gz VWOLCEAYGKVKDT-NRFANRHFSA-N 1 3 345.531 2.632 20 0 EFADHO COc1cccc(C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)c1 ZINC000121031805 472787155 /nfs/dbraw/zinc/78/71/55/472787155.db2.gz VWOLCEAYGKVKDT-OAQYLSRUSA-N 1 3 345.531 2.632 20 0 EFADHO CCc1nn(C)cc1CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000091742065 472802161 /nfs/dbraw/zinc/80/21/61/472802161.db2.gz JVFFKJCRJDEXAJ-OAHLLOKOSA-N 1 3 330.476 2.774 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000121130405 472803016 /nfs/dbraw/zinc/80/30/16/472803016.db2.gz MZPZAOZPDDJQMX-HOTGVXAUSA-N 1 3 337.483 2.759 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000121130725 472803591 /nfs/dbraw/zinc/80/35/91/472803591.db2.gz MZPZAOZPDDJQMX-JKSUJKDBSA-N 1 3 337.483 2.759 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000073417167 472807577 /nfs/dbraw/zinc/80/75/77/472807577.db2.gz CPXIFKHRMCDIFP-PKOBYXMFSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000073417167 472807579 /nfs/dbraw/zinc/80/75/79/472807579.db2.gz CPXIFKHRMCDIFP-PKOBYXMFSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000073417168 472808807 /nfs/dbraw/zinc/80/88/07/472808807.db2.gz CPXIFKHRMCDIFP-HKUYNNGSSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000073417168 472808813 /nfs/dbraw/zinc/80/88/13/472808813.db2.gz CPXIFKHRMCDIFP-HKUYNNGSSA-N 1 3 346.519 2.805 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121160093 472809060 /nfs/dbraw/zinc/80/90/60/472809060.db2.gz QTJRKHPUCVQFHV-LPHOPBHVSA-N 1 3 349.494 2.903 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000048076518 472810799 /nfs/dbraw/zinc/81/07/99/472810799.db2.gz ZWLHNFGLMFECFW-INIZCTEOSA-N 1 3 332.492 2.992 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000073488992 472817755 /nfs/dbraw/zinc/81/77/55/472817755.db2.gz OWJWVYIJEKOXOF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000073488992 472817762 /nfs/dbraw/zinc/81/77/62/472817762.db2.gz OWJWVYIJEKOXOF-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000073553460 472829100 /nfs/dbraw/zinc/82/91/00/472829100.db2.gz HBAAGORCBXHKSS-KRWDZBQOSA-N 1 3 331.504 2.744 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666641 472850561 /nfs/dbraw/zinc/85/05/61/472850561.db2.gz STHMMXKDUQWJGN-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000073666641 472850568 /nfs/dbraw/zinc/85/05/68/472850568.db2.gz STHMMXKDUQWJGN-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC[C@@H](C)NC(=O)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121456027 472854189 /nfs/dbraw/zinc/85/41/89/472854189.db2.gz WNXCRSPOLISDAF-QGZVFWFLSA-N 1 3 331.504 2.588 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516265 472857909 /nfs/dbraw/zinc/85/79/09/472857909.db2.gz TYDMZSFUPNYUOJ-PKOBYXMFSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516265 472857913 /nfs/dbraw/zinc/85/79/13/472857913.db2.gz TYDMZSFUPNYUOJ-PKOBYXMFSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCC[C@H]1C ZINC000079599371 472894478 /nfs/dbraw/zinc/89/44/78/472894478.db2.gz RZLXBEXKVXRYDK-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000079599373 472894676 /nfs/dbraw/zinc/89/46/76/472894676.db2.gz RZLXBEXKVXRYDK-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000073881761 472894979 /nfs/dbraw/zinc/89/49/79/472894979.db2.gz JPINAYHAWQZMAL-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000079617288 472898084 /nfs/dbraw/zinc/89/80/84/472898084.db2.gz GFQWTYZJMYWYRX-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO CCOC[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000158165882 472901456 /nfs/dbraw/zinc/90/14/56/472901456.db2.gz UVMFLRZPJOURND-OALUTQOASA-N 1 3 326.525 2.874 20 0 EFADHO CCOC[C@H]1CCCN(CCC[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000158165882 472901463 /nfs/dbraw/zinc/90/14/63/472901463.db2.gz UVMFLRZPJOURND-OALUTQOASA-N 1 3 326.525 2.874 20 0 EFADHO CC(=O)Nc1cccc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000048712813 472903469 /nfs/dbraw/zinc/90/34/69/472903469.db2.gz SKTRASTWVPBEAK-UHFFFAOYSA-N 1 3 341.455 2.875 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccs2)CC1 ZINC000092427136 472911717 /nfs/dbraw/zinc/91/17/17/472911717.db2.gz GKEPPISZXAAZPC-UHFFFAOYSA-N 1 3 337.533 2.664 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@H](C)C2CC2)CC1 ZINC000079844121 472930294 /nfs/dbraw/zinc/93/02/94/472930294.db2.gz OWCBBQXTQZXZRJ-QGZVFWFLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)c(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1C ZINC000092615517 472946159 /nfs/dbraw/zinc/94/61/59/472946159.db2.gz CMKOKUUIYAEWSU-UHFFFAOYSA-N 1 3 331.504 2.502 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000065466288 472948609 /nfs/dbraw/zinc/94/86/09/472948609.db2.gz CPCWRDNCNUIAMP-IBGZPJMESA-N 1 3 344.503 2.524 20 0 EFADHO CCN1CCC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000107386023 472951551 /nfs/dbraw/zinc/95/15/51/472951551.db2.gz OYAUXLNGUHZQOT-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC(C)CC1 ZINC000065477909 472952081 /nfs/dbraw/zinc/95/20/81/472952081.db2.gz GMLGEKXALSACAZ-OAHLLOKOSA-N 1 3 338.540 2.715 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC(C)CC1 ZINC000065480839 472952785 /nfs/dbraw/zinc/95/27/85/472952785.db2.gz SOADLQRECXGNPW-QGZVFWFLSA-N 1 3 338.540 2.718 20 0 EFADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158649224 472956082 /nfs/dbraw/zinc/95/60/82/472956082.db2.gz IJOLQUVVYGRUIB-HUUCEWRRSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CCN(CC(F)(F)F)CC2)C1 ZINC000158649224 472956086 /nfs/dbraw/zinc/95/60/86/472956086.db2.gz IJOLQUVVYGRUIB-HUUCEWRRSA-N 1 3 335.458 2.971 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000092738763 472976627 /nfs/dbraw/zinc/97/66/27/472976627.db2.gz PUMSOVXXKJPNOG-YJBOKZPZSA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000092738763 472976633 /nfs/dbraw/zinc/97/66/33/472976633.db2.gz PUMSOVXXKJPNOG-YJBOKZPZSA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000080109494 472978274 /nfs/dbraw/zinc/97/82/74/472978274.db2.gz HBAKWYCVMOIRLH-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000080109494 472978278 /nfs/dbraw/zinc/97/82/78/472978278.db2.gz HBAKWYCVMOIRLH-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCC1 ZINC000092821640 472990182 /nfs/dbraw/zinc/99/01/82/472990182.db2.gz CKBADGSCEGTKMQ-UHFFFAOYSA-N 1 3 344.503 2.679 20 0 EFADHO Cc1cnc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000092821018 472990368 /nfs/dbraw/zinc/99/03/68/472990368.db2.gz OUFXPXRXZJRQOD-UHFFFAOYSA-N 1 3 325.460 2.919 20 0 EFADHO CCCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821130 472990434 /nfs/dbraw/zinc/99/04/34/472990434.db2.gz OAIXXEMEFIJGGI-MRXNPFEDSA-N 1 3 332.492 2.535 20 0 EFADHO CCCCNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820884 472992097 /nfs/dbraw/zinc/99/20/97/472992097.db2.gz NNJFUGZWJWMORM-QGZVFWFLSA-N 1 3 346.519 2.925 20 0 EFADHO CC(C)CNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820880 472992324 /nfs/dbraw/zinc/99/23/24/472992324.db2.gz URZBCLURSIZAEW-KRWDZBQOSA-N 1 3 346.519 2.781 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608475217 480023429 /nfs/dbraw/zinc/02/34/29/480023429.db2.gz PLYAZMQSVKLLDR-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO CCCCS[C@@H](C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050797200 473011006 /nfs/dbraw/zinc/01/10/06/473011006.db2.gz YIASTGAIEYRFEQ-HNNXBMFYSA-N 1 3 341.565 2.583 20 0 EFADHO Cc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000050800177 473011852 /nfs/dbraw/zinc/01/18/52/473011852.db2.gz HZOQSSIZSMHDEE-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO Cc1cccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050800270 473012029 /nfs/dbraw/zinc/01/20/29/473012029.db2.gz JSNMMYVVGBSUHC-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO CN(C(=O)CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000135101723 473022587 /nfs/dbraw/zinc/02/25/87/473022587.db2.gz BSMGRJHYQOHAOD-SFHVURJKSA-N 1 3 329.488 2.847 20 0 EFADHO CN(C(=O)CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)c1ccccc1 ZINC000135101723 473022596 /nfs/dbraw/zinc/02/25/96/473022596.db2.gz BSMGRJHYQOHAOD-SFHVURJKSA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051236035 473033514 /nfs/dbraw/zinc/03/35/14/473033514.db2.gz JFNRLMWLTLUDKF-UHFFFAOYSA-N 1 3 330.476 2.675 20 0 EFADHO CCOc1c(OC)cc(CN(C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089245 473041935 /nfs/dbraw/zinc/04/19/35/473041935.db2.gz PJVOGCJVJABWEH-UHFFFAOYSA-N 1 3 336.476 2.876 20 0 EFADHO CCOc1c(OC)cc(C[N@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089245 473041942 /nfs/dbraw/zinc/04/19/42/473041942.db2.gz PJVOGCJVJABWEH-UHFFFAOYSA-N 1 3 336.476 2.876 20 0 EFADHO CCOc1c(OC)cc(C[N@@H+](C)CC2CCN(C)CC2)cc1OC ZINC000093089245 473041950 /nfs/dbraw/zinc/04/19/50/473041950.db2.gz PJVOGCJVJABWEH-UHFFFAOYSA-N 1 3 336.476 2.876 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122747685 473054432 /nfs/dbraw/zinc/05/44/32/473054432.db2.gz YRVRCDFVADELOR-CVEARBPZSA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000066203250 473059510 /nfs/dbraw/zinc/05/95/10/473059510.db2.gz ZELIEHIMLKGOPM-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000066203250 473059512 /nfs/dbraw/zinc/05/95/12/473059512.db2.gz ZELIEHIMLKGOPM-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccncc2)CC1 ZINC000608492700 480028512 /nfs/dbraw/zinc/02/85/12/480028512.db2.gz XTZYHDMFPBCPPG-QGZVFWFLSA-N 1 3 346.519 2.703 20 0 EFADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H](C)C(C)C ZINC000051761252 473066920 /nfs/dbraw/zinc/06/69/20/473066920.db2.gz PVRHDVOIZGUJQI-INIZCTEOSA-N 1 3 338.540 2.621 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000608492699 480027662 /nfs/dbraw/zinc/02/76/62/480027662.db2.gz XTZYHDMFPBCPPG-KRWDZBQOSA-N 1 3 346.519 2.703 20 0 EFADHO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482796 473113751 /nfs/dbraw/zinc/11/37/51/473113751.db2.gz RJRMQWZGZYWIKK-YLJYHZDGSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482796 473113760 /nfs/dbraw/zinc/11/37/60/473113760.db2.gz RJRMQWZGZYWIKK-YLJYHZDGSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@@H](C(=O)NCCc1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123404744 473136418 /nfs/dbraw/zinc/13/64/18/473136418.db2.gz ZHFZIZYZFIZMQH-SFHVURJKSA-N 1 3 345.531 2.788 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000123427390 473140771 /nfs/dbraw/zinc/14/07/71/473140771.db2.gz SZMQYHYKJNZJAC-FQEVSTJZSA-N 1 3 344.547 2.745 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000123427390 473140775 /nfs/dbraw/zinc/14/07/75/473140775.db2.gz SZMQYHYKJNZJAC-FQEVSTJZSA-N 1 3 344.547 2.745 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000093769412 473143136 /nfs/dbraw/zinc/14/31/36/473143136.db2.gz AEUKVBBCJPDBSU-UHFFFAOYSA-N 1 3 348.487 2.986 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc3c2OCO3)CC1 ZINC000093769412 473143144 /nfs/dbraw/zinc/14/31/44/473143144.db2.gz AEUKVBBCJPDBSU-UHFFFAOYSA-N 1 3 348.487 2.986 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123461509 473143451 /nfs/dbraw/zinc/14/34/51/473143451.db2.gz SHJTYWYMIHMADM-KZNAEPCWSA-N 1 3 337.552 2.933 20 0 EFADHO COC(=O)[C@]1(C)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093814079 473148415 /nfs/dbraw/zinc/14/84/15/473148415.db2.gz RXXDLFPGIQVRPS-HXUWFJFHSA-N 1 3 346.471 2.546 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000066898390 473171407 /nfs/dbraw/zinc/17/14/07/473171407.db2.gz DKDQOLRZETXBBB-IBGZPJMESA-N 1 3 343.515 2.857 20 0 EFADHO C[NH+]1CCC(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000081305836 473181614 /nfs/dbraw/zinc/18/16/14/473181614.db2.gz UELVWJDAUVDEHX-UHFFFAOYSA-N 1 3 347.528 2.558 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000113405512 473393071 /nfs/dbraw/zinc/39/30/71/473393071.db2.gz XMPKLHQUUMGHMY-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000113405512 473393078 /nfs/dbraw/zinc/39/30/78/473393078.db2.gz XMPKLHQUUMGHMY-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000113514412 473398600 /nfs/dbraw/zinc/39/86/00/473398600.db2.gz MXYHJSPWYIPKDQ-HDMKZQKVSA-N 1 3 340.895 2.662 20 0 EFADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000113514412 473398607 /nfs/dbraw/zinc/39/86/07/473398607.db2.gz MXYHJSPWYIPKDQ-HDMKZQKVSA-N 1 3 340.895 2.662 20 0 EFADHO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000151032502 473399215 /nfs/dbraw/zinc/39/92/15/473399215.db2.gz YYDZBHWAQPFVEU-INIZCTEOSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)N(C)C1CC1 ZINC000171598370 473417992 /nfs/dbraw/zinc/41/79/92/473417992.db2.gz HQULPGWPTCLTFP-MRXNPFEDSA-N 1 3 344.503 2.564 20 0 EFADHO [NH3+][C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000163271147 473428672 /nfs/dbraw/zinc/42/86/72/473428672.db2.gz ASLOIPWRZKCUHZ-FQEVSTJZSA-N 1 3 337.467 2.811 20 0 EFADHO CCCc1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000171656253 473431514 /nfs/dbraw/zinc/43/15/14/473431514.db2.gz WZLKXPMGZFHACB-UHFFFAOYSA-N 1 3 331.504 2.529 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000125594201 473433123 /nfs/dbraw/zinc/43/31/23/473433123.db2.gz UYOCSSXHPBIYPX-AQNXPRMDSA-N 1 3 339.568 2.835 20 0 EFADHO Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000177853252 473443560 /nfs/dbraw/zinc/44/35/60/473443560.db2.gz UAFMXQSOZKQBIL-OAHLLOKOSA-N 1 3 330.476 2.942 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000177865688 473444329 /nfs/dbraw/zinc/44/43/29/473444329.db2.gz IBYFWKFJWSTRHI-MJGOQNOKSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000177865688 473444335 /nfs/dbraw/zinc/44/43/35/473444335.db2.gz IBYFWKFJWSTRHI-MJGOQNOKSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178002669 473458890 /nfs/dbraw/zinc/45/88/90/473458890.db2.gz NFZUEBZPOVEHOE-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000178002669 473458895 /nfs/dbraw/zinc/45/88/95/473458895.db2.gz NFZUEBZPOVEHOE-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN(C)CCCCc2ccccc2)CC1 ZINC000114455369 473468636 /nfs/dbraw/zinc/46/86/36/473468636.db2.gz CTOCFMDWAMISQZ-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000163928510 473471540 /nfs/dbraw/zinc/47/15/40/473471540.db2.gz XCJOZUPHJRSENW-PZJWPPBQSA-N 1 3 345.531 2.599 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000163928746 473471560 /nfs/dbraw/zinc/47/15/60/473471560.db2.gz XCJOZUPHJRSENW-FPOVZHCZSA-N 1 3 345.531 2.599 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178199728 473474980 /nfs/dbraw/zinc/47/49/80/473474980.db2.gz AXOONRYFSYMJED-KRWDZBQOSA-N 1 3 347.503 2.680 20 0 EFADHO CC[C@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000151655401 473481902 /nfs/dbraw/zinc/48/19/02/473481902.db2.gz LFULBRJTUFRZSG-ZIAGYGMSSA-N 1 3 338.883 2.916 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2ccccc2n1 ZINC000178290386 473484477 /nfs/dbraw/zinc/48/44/77/473484477.db2.gz FCZGLBLDICEGJU-MRXNPFEDSA-N 1 3 326.488 2.911 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+](C)C ZINC000151902417 473505845 /nfs/dbraw/zinc/50/58/45/473505845.db2.gz BKDQWWOQZVLPCW-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000178411261 473507349 /nfs/dbraw/zinc/50/73/49/473507349.db2.gz KVQRDUNIWFPRJX-QUCCMNQESA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCCC[NH+]1CCCCC1 ZINC000178409103 473507736 /nfs/dbraw/zinc/50/77/36/473507736.db2.gz VSZGJRJRPHMCCE-CQSZACIVSA-N 1 3 338.883 2.918 20 0 EFADHO CC[C@@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000165162057 473507754 /nfs/dbraw/zinc/50/77/54/473507754.db2.gz LSKXVOWXAOGCOX-LJQANCHMSA-N 1 3 330.476 2.992 20 0 EFADHO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000165345157 473510490 /nfs/dbraw/zinc/51/04/90/473510490.db2.gz FVHQXWWETOJSFE-UYAOXDASSA-N 1 3 338.499 2.952 20 0 EFADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCCC1 ZINC000178463146 473518646 /nfs/dbraw/zinc/51/86/46/473518646.db2.gz OWORHMLBUMXHFS-DLBZAZTESA-N 1 3 347.503 2.679 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000166030644 473519970 /nfs/dbraw/zinc/51/99/70/473519970.db2.gz LVTKQKQJVDYKNR-GOEBONIOSA-N 1 3 325.472 2.899 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000166419210 473527020 /nfs/dbraw/zinc/52/70/20/473527020.db2.gz AFAYQCXKVGNLIG-IBGZPJMESA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000126725701 473540165 /nfs/dbraw/zinc/54/01/65/473540165.db2.gz ANWFELLHPMYSNJ-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000126725701 473540169 /nfs/dbraw/zinc/54/01/69/473540169.db2.gz ANWFELLHPMYSNJ-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000168508243 473542701 /nfs/dbraw/zinc/54/27/01/473542701.db2.gz XCWMYOAPWSCWKQ-NQYYFHDYSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000168631683 473542828 /nfs/dbraw/zinc/54/28/28/473542828.db2.gz SCYZUKAUVMILIY-GHMZBOCLSA-N 1 3 330.259 2.991 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NCC2(N3CCSCC3)CCCCC2)cc1 ZINC000168879187 473544293 /nfs/dbraw/zinc/54/42/93/473544293.db2.gz FTTBFGFUUKYGSG-UHFFFAOYSA-N 1 3 347.528 2.627 20 0 EFADHO Cc1cc(C)c([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1C ZINC000168958838 473545399 /nfs/dbraw/zinc/54/53/99/473545399.db2.gz RSXWDZVCAUXCFF-HXUWFJFHSA-N 1 3 347.547 2.653 20 0 EFADHO COC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000178699328 473545494 /nfs/dbraw/zinc/54/54/94/473545494.db2.gz WKHLWUGYLQEVRL-HXUWFJFHSA-N 1 3 331.504 2.603 20 0 EFADHO Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCCN(C)C)c1 ZINC000169088555 473546193 /nfs/dbraw/zinc/54/61/93/473546193.db2.gz VQFUFCVJYPBPMV-ALOPSCKCSA-N 1 3 345.487 2.795 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000169140297 473546526 /nfs/dbraw/zinc/54/65/26/473546526.db2.gz FJEZEQMKBIMCFA-HOJAQTOUSA-N 1 3 334.504 2.621 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000169140297 473546533 /nfs/dbraw/zinc/54/65/33/473546533.db2.gz FJEZEQMKBIMCFA-HOJAQTOUSA-N 1 3 334.504 2.621 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000178843370 473576864 /nfs/dbraw/zinc/57/68/64/473576864.db2.gz OVVOMUZGNPOGOU-ZDUSSCGKSA-N 1 3 329.444 2.694 20 0 EFADHO C[C@@H](CCNC(=O)[C@H](CN)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000178857537 473578680 /nfs/dbraw/zinc/57/86/80/473578680.db2.gz FGQFLBDOFCYCKZ-FXAWDEMLSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@@H](CCNC(=O)[C@H](CN)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000178857537 473578687 /nfs/dbraw/zinc/57/86/87/473578687.db2.gz FGQFLBDOFCYCKZ-FXAWDEMLSA-N 1 3 339.483 2.756 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)CC(C)C ZINC000115793247 473604139 /nfs/dbraw/zinc/60/41/39/473604139.db2.gz NFAQVGAQWYJPHL-QZTJIDSGSA-N 1 3 340.556 2.726 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115811907 473607035 /nfs/dbraw/zinc/60/70/35/473607035.db2.gz HDQQCGVWMAMWDC-HKUYNNGSSA-N 1 3 346.519 2.581 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115811907 473607040 /nfs/dbraw/zinc/60/70/40/473607040.db2.gz HDQQCGVWMAMWDC-HKUYNNGSSA-N 1 3 346.519 2.581 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3C[C@H](C)N(C)C[C@H]3C)c2)CCO1 ZINC000153477461 473626578 /nfs/dbraw/zinc/62/65/78/473626578.db2.gz JQYHUSKRVVVENN-IIMDRIAPSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477461 473626582 /nfs/dbraw/zinc/62/65/82/473626582.db2.gz JQYHUSKRVVVENN-IIMDRIAPSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477461 473626589 /nfs/dbraw/zinc/62/65/89/473626589.db2.gz JQYHUSKRVVVENN-IIMDRIAPSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000172532041 473635073 /nfs/dbraw/zinc/63/50/73/473635073.db2.gz FAXZKVVLKNKCOV-GOSISDBHSA-N 1 3 335.467 2.667 20 0 EFADHO CCCn1c2ccccc2nc1CNCCCN1CCC[N@H+](C)CC1 ZINC000172629623 473663179 /nfs/dbraw/zinc/66/31/79/473663179.db2.gz XFVQZNXWWUPCST-UHFFFAOYSA-N 1 3 343.519 2.564 20 0 EFADHO CCCn1c2ccccc2nc1CNCCCN1CCC[N@@H+](C)CC1 ZINC000172629623 473663185 /nfs/dbraw/zinc/66/31/85/473663185.db2.gz XFVQZNXWWUPCST-UHFFFAOYSA-N 1 3 343.519 2.564 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001181 480053443 /nfs/dbraw/zinc/05/34/43/480053443.db2.gz JYFZZIFYOYNPFM-WMZOPIPTSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001181 480053450 /nfs/dbraw/zinc/05/34/50/480053450.db2.gz JYFZZIFYOYNPFM-WMZOPIPTSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1COCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000192483948 473684876 /nfs/dbraw/zinc/68/48/76/473684876.db2.gz IKCWBJIGQCIQRU-UYAOXDASSA-N 1 3 331.504 2.603 20 0 EFADHO CN(C[C@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000179422576 473687213 /nfs/dbraw/zinc/68/72/13/473687213.db2.gz YOVCBYMWACLZPQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000179422576 473687216 /nfs/dbraw/zinc/68/72/16/473687216.db2.gz YOVCBYMWACLZPQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000179422576 473687219 /nfs/dbraw/zinc/68/72/19/473687219.db2.gz YOVCBYMWACLZPQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000179422576 473687221 /nfs/dbraw/zinc/68/72/21/473687221.db2.gz YOVCBYMWACLZPQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538082 473690162 /nfs/dbraw/zinc/69/01/62/473690162.db2.gz TWPIBFIQLOMCDN-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570727 473691675 /nfs/dbraw/zinc/69/16/75/473691675.db2.gz SYCLDHAIFWCRAX-INIZCTEOSA-N 1 3 329.410 2.992 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570727 473691676 /nfs/dbraw/zinc/69/16/76/473691676.db2.gz SYCLDHAIFWCRAX-INIZCTEOSA-N 1 3 329.410 2.992 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([NH2+]C1CCN(CCc3ccccc3)CC1)C2 ZINC000192661261 473701516 /nfs/dbraw/zinc/70/15/16/473701516.db2.gz LLIVOTQIKVZYLJ-SEJPIABJSA-N 1 3 327.516 2.908 20 0 EFADHO Cc1oc2ccccc2c1C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000179674383 473706578 /nfs/dbraw/zinc/70/65/78/473706578.db2.gz JSDUXHWUSNKDBL-UHFFFAOYSA-N 1 3 343.471 2.631 20 0 EFADHO C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262671099 473709229 /nfs/dbraw/zinc/70/92/29/473709229.db2.gz OFAYHGZGGNIQCA-AOIWGVFYSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262711670 473713823 /nfs/dbraw/zinc/71/38/23/473713823.db2.gz QUULKGQCFIRNSD-JUFRUHRKSA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262711670 473713831 /nfs/dbraw/zinc/71/38/31/473713831.db2.gz QUULKGQCFIRNSD-JUFRUHRKSA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262711669 473714450 /nfs/dbraw/zinc/71/44/50/473714450.db2.gz QUULKGQCFIRNSD-BYUNMRKYSA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262711669 473714452 /nfs/dbraw/zinc/71/44/52/473714452.db2.gz QUULKGQCFIRNSD-BYUNMRKYSA-N 1 3 329.488 2.672 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000192773656 473722633 /nfs/dbraw/zinc/72/26/33/473722633.db2.gz DVDXJWHULYMNRF-OAQYLSRUSA-N 1 3 344.547 2.979 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000192773656 473722638 /nfs/dbraw/zinc/72/26/38/473722638.db2.gz DVDXJWHULYMNRF-OAQYLSRUSA-N 1 3 344.547 2.979 20 0 EFADHO CC[C@H](O)C[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192774713 473723661 /nfs/dbraw/zinc/72/36/61/473723661.db2.gz JYKNIMWIOLJQSO-NRFANRHFSA-N 1 3 347.547 2.676 20 0 EFADHO CC[C@H](O)C[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccccc1 ZINC000192774713 473723669 /nfs/dbraw/zinc/72/36/69/473723669.db2.gz JYKNIMWIOLJQSO-NRFANRHFSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@@H](C)CCO)CC1 ZINC000192784135 473724208 /nfs/dbraw/zinc/72/42/08/473724208.db2.gz NHEMKWNJBPWLCF-FQEVSTJZSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@@H](C)CCO)CC1 ZINC000192784135 473724216 /nfs/dbraw/zinc/72/42/16/473724216.db2.gz NHEMKWNJBPWLCF-FQEVSTJZSA-N 1 3 347.547 2.676 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000245630917 473729380 /nfs/dbraw/zinc/72/93/80/473729380.db2.gz UFTSPCJTVKVOIP-LVCYWYKZSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000245630917 473729389 /nfs/dbraw/zinc/72/93/89/473729389.db2.gz UFTSPCJTVKVOIP-LVCYWYKZSA-N 1 3 344.547 2.965 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC000263073696 473741822 /nfs/dbraw/zinc/74/18/22/473741822.db2.gz WUVOXWHCPFGMSM-CMKODMSKSA-N 1 3 331.504 2.876 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](CN)c1ccccc1)c1ccccc1 ZINC000269249612 473748928 /nfs/dbraw/zinc/74/89/28/473748928.db2.gz GIERSRBQXDIPDD-APWZRJJASA-N 1 3 339.483 2.975 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287748937 473750647 /nfs/dbraw/zinc/75/06/47/473750647.db2.gz CTKDBKPUCHIOLK-LNLFQRSKSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287748937 473750657 /nfs/dbraw/zinc/75/06/57/473750657.db2.gz CTKDBKPUCHIOLK-LNLFQRSKSA-N 1 3 346.519 2.661 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000173133285 473752156 /nfs/dbraw/zinc/75/21/56/473752156.db2.gz RIPAATNLJFXVLE-UHFFFAOYSA-N 1 3 343.471 2.908 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186820233 473762166 /nfs/dbraw/zinc/76/21/66/473762166.db2.gz DHXRPYBZEOYUEP-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO c1[nH]nc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc12 ZINC000179987640 473770306 /nfs/dbraw/zinc/77/03/06/473770306.db2.gz YLFNLXBUQOEWKZ-UHFFFAOYSA-N 1 3 328.460 2.640 20 0 EFADHO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287878215 473787078 /nfs/dbraw/zinc/78/70/78/473787078.db2.gz YGEBJLMLPBWGQK-HNNXBMFYSA-N 1 3 325.460 2.935 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000246162347 473791658 /nfs/dbraw/zinc/79/16/58/473791658.db2.gz FDPBBTJHSFJEKO-QAPCUYQASA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000246162347 473791666 /nfs/dbraw/zinc/79/16/66/473791666.db2.gz FDPBBTJHSFJEKO-QAPCUYQASA-N 1 3 344.503 2.563 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246220036 473800510 /nfs/dbraw/zinc/80/05/10/473800510.db2.gz BGDFWDSLLUIAPY-AOIWGVFYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246220036 473800514 /nfs/dbraw/zinc/80/05/14/473800514.db2.gz BGDFWDSLLUIAPY-AOIWGVFYSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000263693549 473809085 /nfs/dbraw/zinc/80/90/85/473809085.db2.gz KGARSHHPTGWGIL-UHFFFAOYSA-N 1 3 334.460 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000633943790 480066127 /nfs/dbraw/zinc/06/61/27/480066127.db2.gz GCLNXKIXPUOYLO-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287968726 473812029 /nfs/dbraw/zinc/81/20/29/473812029.db2.gz JHBSFISVRBPMPT-ZIFCJYIRSA-N 1 3 346.519 2.661 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287968726 473812036 /nfs/dbraw/zinc/81/20/36/473812036.db2.gz JHBSFISVRBPMPT-ZIFCJYIRSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000288037452 473831212 /nfs/dbraw/zinc/83/12/12/473831212.db2.gz OELDOGLFVQRXII-LNLFQRSKSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000288037452 473831220 /nfs/dbraw/zinc/83/12/20/473831220.db2.gz OELDOGLFVQRXII-LNLFQRSKSA-N 1 3 346.519 2.631 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342545 473834820 /nfs/dbraw/zinc/83/48/20/473834820.db2.gz GZNJVJKRCJKPCV-SZMVWBNQSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342545 473834825 /nfs/dbraw/zinc/83/48/25/473834825.db2.gz GZNJVJKRCJKPCV-SZMVWBNQSA-N 1 3 349.519 2.626 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@@H](C)C1 ZINC000246342545 473834833 /nfs/dbraw/zinc/83/48/33/473834833.db2.gz GZNJVJKRCJKPCV-SZMVWBNQSA-N 1 3 349.519 2.626 20 0 EFADHO COC(=O)COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000274486443 473846004 /nfs/dbraw/zinc/84/60/04/473846004.db2.gz RPKPKEFINBIBCA-WBVHZDCISA-N 1 3 334.460 2.763 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269630747 473848779 /nfs/dbraw/zinc/84/87/79/473848779.db2.gz HRMMASSKPNITGJ-NRSPTQNISA-N 1 3 344.499 2.513 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269630747 473848786 /nfs/dbraw/zinc/84/87/86/473848786.db2.gz HRMMASSKPNITGJ-NRSPTQNISA-N 1 3 344.499 2.513 20 0 EFADHO Clc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000246417347 473858081 /nfs/dbraw/zinc/85/80/81/473858081.db2.gz IEWSUCSCDPPWTH-GJZGRUSLSA-N 1 3 336.863 2.870 20 0 EFADHO Clc1cc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000246417347 473858089 /nfs/dbraw/zinc/85/80/89/473858089.db2.gz IEWSUCSCDPPWTH-GJZGRUSLSA-N 1 3 336.863 2.870 20 0 EFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194225208 473863022 /nfs/dbraw/zinc/86/30/22/473863022.db2.gz VXMQCRDZLRDIEU-IBGZPJMESA-N 1 3 341.499 2.642 20 0 EFADHO CN(C)CCOc1ccccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194340913 473882444 /nfs/dbraw/zinc/88/24/44/473882444.db2.gz JLKADWNQMVNGGB-UHFFFAOYSA-N 1 3 347.503 2.620 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263902874 473899976 /nfs/dbraw/zinc/89/99/76/473899976.db2.gz ZTJNWOQCOFGSSI-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263902874 473899980 /nfs/dbraw/zinc/89/99/80/473899980.db2.gz ZTJNWOQCOFGSSI-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000288360408 473919689 /nfs/dbraw/zinc/91/96/89/473919689.db2.gz KPXMJIXWFYRZNK-YLJYHZDGSA-N 1 3 341.499 2.981 20 0 EFADHO CC[C@H](C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[NH+](C)C ZINC000288394702 473931173 /nfs/dbraw/zinc/93/11/73/473931173.db2.gz SFRDZUKVPBVPJB-QZTJIDSGSA-N 1 3 335.492 2.533 20 0 EFADHO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274746782 473942241 /nfs/dbraw/zinc/94/22/41/473942241.db2.gz AYZQBLLLOSJMML-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181054191 474001829 /nfs/dbraw/zinc/00/18/29/474001829.db2.gz HYWVRTFHZLDMAH-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO COc1ccc(CC[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282284770 474007529 /nfs/dbraw/zinc/00/75/29/474007529.db2.gz LFHCBAMALQATIR-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000195130838 474012767 /nfs/dbraw/zinc/01/27/67/474012767.db2.gz ZCOODZHMCLMFND-JKSUJKDBSA-N 1 3 335.517 2.637 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171665 474021740 /nfs/dbraw/zinc/02/17/40/474021740.db2.gz OYTYXCJEBAAEKY-CRAIPNDOSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171665 474021745 /nfs/dbraw/zinc/02/17/45/474021745.db2.gz OYTYXCJEBAAEKY-CRAIPNDOSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171665 474021753 /nfs/dbraw/zinc/02/17/53/474021753.db2.gz OYTYXCJEBAAEKY-CRAIPNDOSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000181279517 474021969 /nfs/dbraw/zinc/02/19/69/474021969.db2.gz YSGKVHANAGLQEK-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171676 474022137 /nfs/dbraw/zinc/02/21/37/474022137.db2.gz OYTYXCJEBAAEKY-QAPCUYQASA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171676 474022142 /nfs/dbraw/zinc/02/21/42/474022142.db2.gz OYTYXCJEBAAEKY-QAPCUYQASA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195171676 474022148 /nfs/dbraw/zinc/02/21/48/474022148.db2.gz OYTYXCJEBAAEKY-QAPCUYQASA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264527900 474024661 /nfs/dbraw/zinc/02/46/61/474024661.db2.gz FVEVLDMSPMZGEO-HNNXBMFYSA-N 1 3 336.476 2.837 20 0 EFADHO C[C@@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000195191477 474026844 /nfs/dbraw/zinc/02/68/44/474026844.db2.gz YQLRPARKLXEJNB-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195193228 474027071 /nfs/dbraw/zinc/02/70/71/474027071.db2.gz WEODWQMGCVEANR-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000195191486 474027192 /nfs/dbraw/zinc/02/71/92/474027192.db2.gz YQLRPARKLXEJNB-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282340761 474028785 /nfs/dbraw/zinc/02/87/85/474028785.db2.gz MDDWIZPQDQCUJC-UHFFFAOYSA-N 1 3 341.503 2.501 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246994786 474030163 /nfs/dbraw/zinc/03/01/63/474030163.db2.gz OOJPGLZCCFCSFZ-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246994786 474030168 /nfs/dbraw/zinc/03/01/68/474030168.db2.gz OOJPGLZCCFCSFZ-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000174408527 474037082 /nfs/dbraw/zinc/03/70/82/474037082.db2.gz WYZQMMCRZQZXAG-UHFFFAOYSA-N 1 3 329.488 2.935 20 0 EFADHO C[C@H](C1CC1)N(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000174467585 474046137 /nfs/dbraw/zinc/04/61/37/474046137.db2.gz LTMIBQUGLMMXNB-OAHLLOKOSA-N 1 3 348.535 2.518 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)/C=C/C[NH+](C)C ZINC000264615820 474060040 /nfs/dbraw/zinc/06/00/40/474060040.db2.gz GSAIUWSMWRRCLS-SNAWJCMRSA-N 1 3 333.501 2.600 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094707 474062951 /nfs/dbraw/zinc/06/29/51/474062951.db2.gz PQDPXAZUFIDHHH-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094707 474062961 /nfs/dbraw/zinc/06/29/61/474062961.db2.gz PQDPXAZUFIDHHH-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094707 474062966 /nfs/dbraw/zinc/06/29/66/474062966.db2.gz PQDPXAZUFIDHHH-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282430016 474063247 /nfs/dbraw/zinc/06/32/47/474063247.db2.gz BIBKFKRHYPJRIM-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000288825902 474064971 /nfs/dbraw/zinc/06/49/71/474064971.db2.gz NNSSLYTWGNURSR-HXUWFJFHSA-N 1 3 334.479 2.929 20 0 EFADHO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000288825902 474064977 /nfs/dbraw/zinc/06/49/77/474064977.db2.gz NNSSLYTWGNURSR-HXUWFJFHSA-N 1 3 334.479 2.929 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000247142932 474075207 /nfs/dbraw/zinc/07/52/07/474075207.db2.gz QXTJUUJNSJGIME-JYBIWHBTSA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000247142932 474075210 /nfs/dbraw/zinc/07/52/10/474075210.db2.gz QXTJUUJNSJGIME-JYBIWHBTSA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cnc2ccsc2c1 ZINC000282485857 474083601 /nfs/dbraw/zinc/08/36/01/474083601.db2.gz XEYIYQNALNDYCG-CQSZACIVSA-N 1 3 332.517 2.973 20 0 EFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000282510673 474093899 /nfs/dbraw/zinc/09/38/99/474093899.db2.gz YVXXSTODZWLJFK-QGZVFWFLSA-N 1 3 349.519 2.771 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000270416312 474109829 /nfs/dbraw/zinc/10/98/29/474109829.db2.gz DEUPBEKGPFMDKE-VAMGGRTRSA-N 1 3 344.499 2.717 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289058827 474133448 /nfs/dbraw/zinc/13/34/48/474133448.db2.gz IZXWLZBGGGQZNA-ZWKOTPCHSA-N 1 3 344.455 2.673 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000182262839 474136295 /nfs/dbraw/zinc/13/62/95/474136295.db2.gz ADGFVXYHKOTLIB-KKSFZXQISA-N 1 3 340.467 2.596 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000182262839 474136302 /nfs/dbraw/zinc/13/63/02/474136302.db2.gz ADGFVXYHKOTLIB-KKSFZXQISA-N 1 3 340.467 2.596 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000182262862 474136322 /nfs/dbraw/zinc/13/63/22/474136322.db2.gz ADGFVXYHKOTLIB-IERDGZPVSA-N 1 3 340.467 2.596 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000182262862 474136325 /nfs/dbraw/zinc/13/63/25/474136325.db2.gz ADGFVXYHKOTLIB-IERDGZPVSA-N 1 3 340.467 2.596 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCC2 ZINC000182258612 474136992 /nfs/dbraw/zinc/13/69/92/474136992.db2.gz ZEYOKWJWESSHJF-SLFFLAALSA-N 1 3 344.499 2.691 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289115730 474153057 /nfs/dbraw/zinc/15/30/57/474153057.db2.gz NFRHLLNPEIHGOO-ROUUACIJSA-N 1 3 344.455 2.529 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793361 474158082 /nfs/dbraw/zinc/15/80/82/474158082.db2.gz FZNPUMTWMHOETN-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793361 474158089 /nfs/dbraw/zinc/15/80/89/474158089.db2.gz FZNPUMTWMHOETN-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793361 474158094 /nfs/dbraw/zinc/15/80/94/474158094.db2.gz FZNPUMTWMHOETN-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN(C)CC1CC[NH+](C)CC1 ZINC000282715157 474166935 /nfs/dbraw/zinc/16/69/35/474166935.db2.gz BQXQBBXQBNNYJJ-UHFFFAOYSA-N 1 3 327.476 2.658 20 0 EFADHO CN(CCCOCCc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000270565991 474171389 /nfs/dbraw/zinc/17/13/89/474171389.db2.gz WSXAAVQHBDBJCH-UHFFFAOYSA-N 1 3 347.547 2.594 20 0 EFADHO CN(CCCOCCc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000270565991 474171397 /nfs/dbraw/zinc/17/13/97/474171397.db2.gz WSXAAVQHBDBJCH-UHFFFAOYSA-N 1 3 347.547 2.594 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000247543196 474178004 /nfs/dbraw/zinc/17/80/04/474178004.db2.gz YEVURQRZVWPKMP-HOJAQTOUSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247543196 474178010 /nfs/dbraw/zinc/17/80/10/474178010.db2.gz YEVURQRZVWPKMP-HOJAQTOUSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)c1 ZINC000282775668 474189838 /nfs/dbraw/zinc/18/98/38/474189838.db2.gz OPIPASGSGNTRTO-MJGOQNOKSA-N 1 3 349.494 2.986 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1F ZINC000247642868 474192868 /nfs/dbraw/zinc/19/28/68/474192868.db2.gz TWYJWPPXWYMGML-ZWKOTPCHSA-N 1 3 338.467 2.509 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1F ZINC000247642868 474192878 /nfs/dbraw/zinc/19/28/78/474192878.db2.gz TWYJWPPXWYMGML-ZWKOTPCHSA-N 1 3 338.467 2.509 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247657937 474195835 /nfs/dbraw/zinc/19/58/35/474195835.db2.gz YYTPLCZEACKFLQ-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247657937 474195841 /nfs/dbraw/zinc/19/58/41/474195841.db2.gz YYTPLCZEACKFLQ-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccc2[nH]c([C@@H]3CCCN(C[C@@H](O)C[N@@H+](C)C4CC4)C3)nc2c1 ZINC000289285887 474209185 /nfs/dbraw/zinc/20/91/85/474209185.db2.gz AIYRDZHYTFJJGE-WBVHZDCISA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2[nH]c([C@@H]3CCCN(C[C@@H](O)C[N@H+](C)C4CC4)C3)nc2c1 ZINC000289285887 474209190 /nfs/dbraw/zinc/20/91/90/474209190.db2.gz AIYRDZHYTFJJGE-WBVHZDCISA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@@H]3CCCN(C[C@@H](O)C[N@@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289285887 474209193 /nfs/dbraw/zinc/20/91/93/474209193.db2.gz AIYRDZHYTFJJGE-WBVHZDCISA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@@H]3CCCN(C[C@@H](O)C[N@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289285887 474209196 /nfs/dbraw/zinc/20/91/96/474209196.db2.gz AIYRDZHYTFJJGE-WBVHZDCISA-N 1 3 342.487 2.506 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453597 474219420 /nfs/dbraw/zinc/21/94/20/474219420.db2.gz UUFHZZDSZJQGGL-PMACEKPBSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453597 474219427 /nfs/dbraw/zinc/21/94/27/474219427.db2.gz UUFHZZDSZJQGGL-PMACEKPBSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1)N(CC)CC ZINC000265451843 474219601 /nfs/dbraw/zinc/21/96/01/474219601.db2.gz DADZYMQRHHKNNF-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)N(CC)CC ZINC000265451843 474219605 /nfs/dbraw/zinc/21/96/05/474219605.db2.gz DADZYMQRHHKNNF-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000275552776 474232558 /nfs/dbraw/zinc/23/25/58/474232558.db2.gz AECVKRWAXKYBLC-QGZVFWFLSA-N 1 3 344.503 2.740 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000248055967 474252439 /nfs/dbraw/zinc/25/24/39/474252439.db2.gz XJPDQGIFPXCRIA-KGLIPLIRSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000248055967 474252447 /nfs/dbraw/zinc/25/24/47/474252447.db2.gz XJPDQGIFPXCRIA-KGLIPLIRSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1CCCC[C@@H]1C ZINC000248055967 474252455 /nfs/dbraw/zinc/25/24/55/474252455.db2.gz XJPDQGIFPXCRIA-KGLIPLIRSA-N 1 3 343.313 2.888 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@@H](C)C1 ZINC000248061156 474253525 /nfs/dbraw/zinc/25/35/25/474253525.db2.gz YLYHRAFWGUKXNN-RBUKOAKNSA-N 1 3 325.541 2.589 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000248127589 474263153 /nfs/dbraw/zinc/26/31/53/474263153.db2.gz OCDKLIGHNDPCBV-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000248127589 474263162 /nfs/dbraw/zinc/26/31/62/474263162.db2.gz OCDKLIGHNDPCBV-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000265601779 474265649 /nfs/dbraw/zinc/26/56/49/474265649.db2.gz CLWBXRGZQLECGZ-UABRLCRWSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000265601779 474265655 /nfs/dbraw/zinc/26/56/55/474265655.db2.gz CLWBXRGZQLECGZ-UABRLCRWSA-N 1 3 329.488 2.653 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](CN)c3ccccc3)C2)CC1 ZINC000236628554 474275013 /nfs/dbraw/zinc/27/50/13/474275013.db2.gz BOVGODOIYPYQCI-QUCCMNQESA-N 1 3 343.515 2.699 20 0 EFADHO COC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCCC1 ZINC000275673179 474275598 /nfs/dbraw/zinc/27/55/98/474275598.db2.gz CUAGKZZFJWJJGB-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO COC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCCC1 ZINC000275673176 474275857 /nfs/dbraw/zinc/27/58/57/474275857.db2.gz CUAGKZZFJWJJGB-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCCCN3)c2)CC1 ZINC000236638914 474276578 /nfs/dbraw/zinc/27/65/78/474276578.db2.gz ASJFFJRYIRYWRA-IBGZPJMESA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000236707840 474282084 /nfs/dbraw/zinc/28/20/84/474282084.db2.gz FNPWBXOYLMUOAM-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236707840 474282090 /nfs/dbraw/zinc/28/20/90/474282090.db2.gz FNPWBXOYLMUOAM-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CC1(C)CC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC(C)(C)[NH2+]1 ZINC000289468921 474283987 /nfs/dbraw/zinc/28/39/87/474283987.db2.gz YWVWASVECWAATF-CVEARBPZSA-N 1 3 344.455 2.716 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000236766289 474285550 /nfs/dbraw/zinc/28/55/50/474285550.db2.gz VRYLCDAONCYMSH-ATZDWAIDSA-N 1 3 331.504 2.952 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236767850 474286519 /nfs/dbraw/zinc/28/65/19/474286519.db2.gz MLAUFIVPFORQQT-FCEWJHQRSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236767850 474286524 /nfs/dbraw/zinc/28/65/24/474286524.db2.gz MLAUFIVPFORQQT-FCEWJHQRSA-N 1 3 331.504 2.764 20 0 EFADHO C[C@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CC[NH2+]CC1 ZINC000236787835 474287515 /nfs/dbraw/zinc/28/75/15/474287515.db2.gz UEEHWCJMIQEAHY-TVRKMHQQSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1cccc(OC)c1 ZINC000236819052 474290072 /nfs/dbraw/zinc/29/00/72/474290072.db2.gz FUMQXQQDIOEAME-SFHVURJKSA-N 1 3 347.503 2.856 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236854340 474292109 /nfs/dbraw/zinc/29/21/09/474292109.db2.gz ARMQHFUGZACVTB-WMZOPIPTSA-N 1 3 335.467 2.671 20 0 EFADHO C[NH+]1CCC(CCNCc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189149989 474308420 /nfs/dbraw/zinc/30/84/20/474308420.db2.gz RKNTUDFTRYBTKG-UHFFFAOYSA-N 1 3 330.451 2.892 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409005 474311808 /nfs/dbraw/zinc/31/18/08/474311808.db2.gz WCJJWZQSWDOESX-MTNOOBJLSA-N 1 3 348.535 2.518 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409005 474311811 /nfs/dbraw/zinc/31/18/11/474311811.db2.gz WCJJWZQSWDOESX-MTNOOBJLSA-N 1 3 348.535 2.518 20 0 EFADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(O)CCN(C)CC1 ZINC000289538920 474314053 /nfs/dbraw/zinc/31/40/53/474314053.db2.gz PCCUAVZWPLRQFD-SDNWHVSQSA-N 1 3 340.414 2.738 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248411928 474314464 /nfs/dbraw/zinc/31/44/64/474314464.db2.gz ZSWJDFORNMQZOL-LUKYLMHMSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248411928 474314470 /nfs/dbraw/zinc/31/44/70/474314470.db2.gz ZSWJDFORNMQZOL-LUKYLMHMSA-N 1 3 348.535 2.564 20 0 EFADHO CCc1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000236979907 474316910 /nfs/dbraw/zinc/31/69/10/474316910.db2.gz QVVYJQGCDHJCQW-IBGZPJMESA-N 1 3 331.504 2.748 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000248439278 474323732 /nfs/dbraw/zinc/32/37/32/474323732.db2.gz IJYULEHUAWGPIE-VQTJNVASSA-N 1 3 342.487 2.618 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000248439278 474323735 /nfs/dbraw/zinc/32/37/35/474323735.db2.gz IJYULEHUAWGPIE-VQTJNVASSA-N 1 3 342.487 2.618 20 0 EFADHO CN(C)C/C=C/C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000265758885 474326624 /nfs/dbraw/zinc/32/66/24/474326624.db2.gz YLVJAXWEMJMTGG-AATRIKPKSA-N 1 3 344.503 2.521 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189251193 474337589 /nfs/dbraw/zinc/33/75/89/474337589.db2.gz ZWEVYRHEWUKRKE-UHFFFAOYSA-N 1 3 326.488 2.660 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@@H]1C ZINC000183152504 474339189 /nfs/dbraw/zinc/33/91/89/474339189.db2.gz FQQGHPDJPPJOIQ-GPMSIDNRSA-N 1 3 331.504 2.892 20 0 EFADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268250 474355916 /nfs/dbraw/zinc/35/59/16/474355916.db2.gz WLWZUWITCGXSSC-MOPGFXCFSA-N 1 3 343.515 2.812 20 0 EFADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268250 474355927 /nfs/dbraw/zinc/35/59/27/474355927.db2.gz WLWZUWITCGXSSC-MOPGFXCFSA-N 1 3 343.515 2.812 20 0 EFADHO COc1ccc(CC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1 ZINC000270999915 474361460 /nfs/dbraw/zinc/36/14/60/474361460.db2.gz YTNHPGMPJSRQPP-UHFFFAOYSA-N 1 3 345.531 2.728 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183257232 474361700 /nfs/dbraw/zinc/36/17/00/474361700.db2.gz VABQETJLLJHTDC-GJZGRUSLSA-N 1 3 325.447 2.889 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000265881734 474371658 /nfs/dbraw/zinc/37/16/58/474371658.db2.gz YPGHCYGNRJLTAC-ZDUSSCGKSA-N 1 3 334.851 2.816 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000265881734 474371666 /nfs/dbraw/zinc/37/16/66/474371666.db2.gz YPGHCYGNRJLTAC-ZDUSSCGKSA-N 1 3 334.851 2.816 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000237321662 474381186 /nfs/dbraw/zinc/38/11/86/474381186.db2.gz HCSZRBFIGNAKGG-YJBOKZPZSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000237321662 474381190 /nfs/dbraw/zinc/38/11/90/474381190.db2.gz HCSZRBFIGNAKGG-YJBOKZPZSA-N 1 3 349.544 2.615 20 0 EFADHO CSc1ccccc1C[C@H](C)[NH2+]CCCN1CCCN(C)CC1 ZINC000183496594 474385526 /nfs/dbraw/zinc/38/55/26/474385526.db2.gz YTAZBVANSLDTAW-KRWDZBQOSA-N 1 3 335.561 2.957 20 0 EFADHO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237367456 474389369 /nfs/dbraw/zinc/38/93/69/474389369.db2.gz XCNUUHRFWICFJB-HNAWSFBYSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H]1CC(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000183531035 474389849 /nfs/dbraw/zinc/38/98/49/474389849.db2.gz INXLXNVQQITEOT-HZPDHXFCSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237378650 474392512 /nfs/dbraw/zinc/39/25/12/474392512.db2.gz AHZCIDWNXUHTGL-KBAYOESNSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237378650 474392521 /nfs/dbraw/zinc/39/25/21/474392521.db2.gz AHZCIDWNXUHTGL-KBAYOESNSA-N 1 3 331.504 2.871 20 0 EFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@@H]4CCSC4)CC3)C2)cc1 ZINC000289743873 474406105 /nfs/dbraw/zinc/40/61/05/474406105.db2.gz QGOXUQHMENDWJC-PMACEKPBSA-N 1 3 345.556 2.632 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@@H]4CCSC4)CC3)C2)cc1 ZINC000289743873 474406109 /nfs/dbraw/zinc/40/61/09/474406109.db2.gz QGOXUQHMENDWJC-PMACEKPBSA-N 1 3 345.556 2.632 20 0 EFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@@H]4CCSC4)CC3)C2)cc1 ZINC000289743882 474406504 /nfs/dbraw/zinc/40/65/04/474406504.db2.gz QGOXUQHMENDWJC-VQTJNVASSA-N 1 3 345.556 2.632 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@@H]4CCSC4)CC3)C2)cc1 ZINC000289743882 474406509 /nfs/dbraw/zinc/40/65/09/474406509.db2.gz QGOXUQHMENDWJC-VQTJNVASSA-N 1 3 345.556 2.632 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000237455632 474408163 /nfs/dbraw/zinc/40/81/63/474408163.db2.gz CSFNSBMCELVNRO-VQIMIIECSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237480455 474413906 /nfs/dbraw/zinc/41/39/06/474413906.db2.gz WFWSREYQUFRGDT-KKSFZXQISA-N 1 3 343.515 2.573 20 0 EFADHO Cc1nccn1CC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276126572 474425844 /nfs/dbraw/zinc/42/58/44/474425844.db2.gz AAQHQOTXEDTYHA-IRXDYDNUSA-N 1 3 326.488 2.938 20 0 EFADHO CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CCC[NH2+]1 ZINC000248759033 474428730 /nfs/dbraw/zinc/42/87/30/474428730.db2.gz VRLXRBIMPBJVBI-QGPMSJSTSA-N 1 3 335.517 2.779 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237585899 474434463 /nfs/dbraw/zinc/43/44/63/474434463.db2.gz LUYVLTXLBJDTMW-QRQLOZEOSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237584970 474435045 /nfs/dbraw/zinc/43/50/45/474435045.db2.gz DQIZFHCDADOCHW-SJLPKXTDSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)C1CC[NH2+]CC1 ZINC000237600188 474437690 /nfs/dbraw/zinc/43/76/90/474437690.db2.gz DUDIVQHHXOBYAU-HNNXBMFYSA-N 1 3 333.476 2.591 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000289852421 474455451 /nfs/dbraw/zinc/45/54/51/474455451.db2.gz BGSKJNFGTNLYMI-BZSNNMDCSA-N 1 3 348.462 2.789 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237714433 474463332 /nfs/dbraw/zinc/46/33/32/474463332.db2.gz PCWGNDBJDFDNQP-JZXOWHBKSA-N 1 3 331.504 2.602 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237714433 474463338 /nfs/dbraw/zinc/46/33/38/474463338.db2.gz PCWGNDBJDFDNQP-JZXOWHBKSA-N 1 3 331.504 2.602 20 0 EFADHO COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1OC ZINC000248878312 474468933 /nfs/dbraw/zinc/46/89/33/474468933.db2.gz JZRFKKHEJKXVLO-HQSKLWIPSA-N 1 3 347.503 2.521 20 0 EFADHO COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1OC ZINC000248878312 474468942 /nfs/dbraw/zinc/46/89/42/474468942.db2.gz JZRFKKHEJKXVLO-HQSKLWIPSA-N 1 3 347.503 2.521 20 0 EFADHO COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1OC ZINC000248878312 474468949 /nfs/dbraw/zinc/46/89/49/474468949.db2.gz JZRFKKHEJKXVLO-HQSKLWIPSA-N 1 3 347.503 2.521 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000289881606 474470225 /nfs/dbraw/zinc/47/02/25/474470225.db2.gz HXBOCERBFRKILC-DZGCQCFKSA-N 1 3 339.867 2.607 20 0 EFADHO CC(C)C(C)(C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000189781962 474482298 /nfs/dbraw/zinc/48/22/98/474482298.db2.gz YZMZZTSXZYBCSN-UHFFFAOYSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000271324070 474490114 /nfs/dbraw/zinc/49/01/14/474490114.db2.gz YVADLAIUPJKAKF-WMZOPIPTSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@H](CNC(=O)N(C)CC1([NH+](C)C)CCC1)N(C)Cc1ccccc1 ZINC000189851648 474492793 /nfs/dbraw/zinc/49/27/93/474492793.db2.gz KYTBYHWAIAPZHB-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043052 474509576 /nfs/dbraw/zinc/50/95/76/474509576.db2.gz VGHCVIVYOYYXIV-AKBNIOSXSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043052 474509581 /nfs/dbraw/zinc/50/95/81/474509581.db2.gz VGHCVIVYOYYXIV-AKBNIOSXSA-N 1 3 337.508 2.989 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000237957817 474511026 /nfs/dbraw/zinc/51/10/26/474511026.db2.gz OEUDNTBTOMSBJT-LJQANCHMSA-N 1 3 329.488 2.720 20 0 EFADHO CC[C@@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189950605 474515303 /nfs/dbraw/zinc/51/53/03/474515303.db2.gz COGZODBKPYXVSU-IWRZSDRUSA-N 1 3 331.504 2.647 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000249065478 474516432 /nfs/dbraw/zinc/51/64/32/474516432.db2.gz QDWZUPJSPYTABU-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(C)C(=O)CCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189955729 474516983 /nfs/dbraw/zinc/51/69/83/474516983.db2.gz AFCLKHCPOLXPIQ-IRXDYDNUSA-N 1 3 331.504 2.601 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000283908311 474523394 /nfs/dbraw/zinc/52/33/94/474523394.db2.gz BRGMBZWDMUFMGB-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CCn1cnnc1CNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000283922342 474526728 /nfs/dbraw/zinc/52/67/28/474526728.db2.gz DSSZNJGSWZSGEC-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CCn1cnnc1CNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000283922342 474526736 /nfs/dbraw/zinc/52/67/36/474526736.db2.gz DSSZNJGSWZSGEC-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCCCC1 ZINC000184509052 474532740 /nfs/dbraw/zinc/53/27/40/474532740.db2.gz ARSDNOBEVSCIQJ-HOTGVXAUSA-N 1 3 328.464 2.577 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000290032591 474532723 /nfs/dbraw/zinc/53/27/23/474532723.db2.gz CZNJBHRRZMVTLW-UXHICEINSA-N 1 3 343.515 2.710 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000290032593 474533842 /nfs/dbraw/zinc/53/38/42/474533842.db2.gz CZNJBHRRZMVTLW-WOJBJXKFSA-N 1 3 343.515 2.710 20 0 EFADHO O=C(CNC1CC1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000238163138 474538539 /nfs/dbraw/zinc/53/85/39/474538539.db2.gz HZPRSEWSAPOVPF-UHFFFAOYSA-N 1 3 343.515 2.590 20 0 EFADHO Cc1ccc2nc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cn2c1 ZINC000283980191 474540575 /nfs/dbraw/zinc/54/05/75/474540575.db2.gz ODRRXAQWVLFKOZ-IAGOWNOFSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000271427452 474542536 /nfs/dbraw/zinc/54/25/36/474542536.db2.gz BLOPURLAHBZCOU-INIZCTEOSA-N 1 3 347.503 2.584 20 0 EFADHO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000271446206 474551212 /nfs/dbraw/zinc/55/12/12/474551212.db2.gz NDLXJTRKOISVMJ-GOSISDBHSA-N 1 3 338.499 2.988 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CN1C1CC1 ZINC000284042833 474558365 /nfs/dbraw/zinc/55/83/65/474558365.db2.gz OVKCCFPWVRZRCD-AEFFLSMTSA-N 1 3 343.515 2.874 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2scnc2C)[C@@H](C)C1 ZINC000249369229 474560306 /nfs/dbraw/zinc/56/03/06/474560306.db2.gz OUHVQNILPVKLOC-HOCLYGCPSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2scnc2C)[C@@H](C)C1 ZINC000249369229 474560308 /nfs/dbraw/zinc/56/03/08/474560308.db2.gz OUHVQNILPVKLOC-HOCLYGCPSA-N 1 3 325.522 2.721 20 0 EFADHO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)n1 ZINC000271490601 474569434 /nfs/dbraw/zinc/56/94/34/474569434.db2.gz OVJNQSOXSICCLN-AWEZNQCLSA-N 1 3 332.448 2.602 20 0 EFADHO C[C@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C(C)(C)n1cncn1 ZINC000284105523 474573869 /nfs/dbraw/zinc/57/38/69/474573869.db2.gz MZSTXBRZPJABIN-HNNXBMFYSA-N 1 3 347.532 2.965 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000271517177 474579514 /nfs/dbraw/zinc/57/95/14/474579514.db2.gz OZHXZEMNTQGAHA-ADLFWFRXSA-N 1 3 349.494 2.920 20 0 EFADHO CCN(CC)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184747479 474600050 /nfs/dbraw/zinc/60/00/50/474600050.db2.gz BNIHUHCJASPVIQ-XEWABKELSA-N 1 3 331.504 2.601 20 0 EFADHO CCN(CC)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184747497 474600145 /nfs/dbraw/zinc/60/01/45/474600145.db2.gz BNIHUHCJASPVIQ-IRXDYDNUSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000249770242 474614874 /nfs/dbraw/zinc/61/48/74/474614874.db2.gz KVTNKCQTECITFI-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000249770242 474614879 /nfs/dbraw/zinc/61/48/79/474614879.db2.gz KVTNKCQTECITFI-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000249793220 474616475 /nfs/dbraw/zinc/61/64/75/474616475.db2.gz VYBZEFFBMXXJTQ-CVEARBPZSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000249793220 474616478 /nfs/dbraw/zinc/61/64/78/474616478.db2.gz VYBZEFFBMXXJTQ-CVEARBPZSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249792880 474616491 /nfs/dbraw/zinc/61/64/91/474616491.db2.gz VOEUZBAYFOLNRI-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000249792880 474616493 /nfs/dbraw/zinc/61/64/93/474616493.db2.gz VOEUZBAYFOLNRI-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000609133470 480116119 /nfs/dbraw/zinc/11/61/19/480116119.db2.gz LWJLPAILPJZNOL-UHFFFAOYSA-N 1 3 348.487 2.904 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000609133470 480116124 /nfs/dbraw/zinc/11/61/24/480116124.db2.gz LWJLPAILPJZNOL-UHFFFAOYSA-N 1 3 348.487 2.904 20 0 EFADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278362983 474621975 /nfs/dbraw/zinc/62/19/75/474621975.db2.gz BLAXACGRPDEWMW-HOTGVXAUSA-N 1 3 336.476 2.855 20 0 EFADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278362983 474621984 /nfs/dbraw/zinc/62/19/84/474621984.db2.gz BLAXACGRPDEWMW-HOTGVXAUSA-N 1 3 336.476 2.855 20 0 EFADHO Cn1nccc1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000284347544 474623967 /nfs/dbraw/zinc/62/39/67/474623967.db2.gz JWONDCXCWBOBKT-CTNGQTDRSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1nccc1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000284347544 474623972 /nfs/dbraw/zinc/62/39/72/474623972.db2.gz JWONDCXCWBOBKT-CTNGQTDRSA-N 1 3 338.499 2.949 20 0 EFADHO C[C@H](C(=O)NCCCN1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249920325 474625316 /nfs/dbraw/zinc/62/53/16/474625316.db2.gz YNQKEZCULIQHIW-KZNAEPCWSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267254122 474630161 /nfs/dbraw/zinc/63/01/61/474630161.db2.gz OVBPSUBKPVJFHW-LAUBAEHRSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291619127 474632926 /nfs/dbraw/zinc/63/29/26/474632926.db2.gz TZBVMUGHJDEMMB-HYVNUMGLSA-N 1 3 332.444 2.527 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291619127 474632930 /nfs/dbraw/zinc/63/29/30/474632930.db2.gz TZBVMUGHJDEMMB-HYVNUMGLSA-N 1 3 332.444 2.527 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278422615 474640419 /nfs/dbraw/zinc/64/04/19/474640419.db2.gz QULIOYZQIISAOV-HXUWFJFHSA-N 1 3 347.572 2.927 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000267306828 474644084 /nfs/dbraw/zinc/64/40/84/474644084.db2.gz RTTBHWOLSLOMCH-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000272935612 474645076 /nfs/dbraw/zinc/64/50/76/474645076.db2.gz IZBJEIWFSAEKTC-KPFFTGBYSA-N 1 3 329.488 2.688 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267339146 474651315 /nfs/dbraw/zinc/65/13/15/474651315.db2.gz NHEVMLVBBPMMRL-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[N@H+](CCCNC(=O)[C@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000305005629 474671029 /nfs/dbraw/zinc/67/10/29/474671029.db2.gz NQOSFPIIJDCROV-FQEVSTJZSA-N 1 3 337.467 2.512 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@H]1CNCc2ccccc21)Cc1ccccc1 ZINC000305005629 474671034 /nfs/dbraw/zinc/67/10/34/474671034.db2.gz NQOSFPIIJDCROV-FQEVSTJZSA-N 1 3 337.467 2.512 20 0 EFADHO COc1ccc(C[NH2+]C[C@H](C)CN(C)C)cc1OCc1cccnc1 ZINC000291776874 474680665 /nfs/dbraw/zinc/68/06/65/474680665.db2.gz UKEWRGNUPIHIOI-INIZCTEOSA-N 1 3 343.471 2.957 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000305075964 474682894 /nfs/dbraw/zinc/68/28/94/474682894.db2.gz NUVMFRWIFPIFAP-HKUYNNGSSA-N 1 3 326.525 2.749 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000305075964 474682901 /nfs/dbraw/zinc/68/29/01/474682901.db2.gz NUVMFRWIFPIFAP-HKUYNNGSSA-N 1 3 326.525 2.749 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@]1(C)CCOC1)C1CCN(C)CC1 ZINC000344372548 474696628 /nfs/dbraw/zinc/69/66/28/474696628.db2.gz QICLNUMGQWWLME-FQEVSTJZSA-N 1 3 331.504 2.733 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000252732846 474708490 /nfs/dbraw/zinc/70/84/90/474708490.db2.gz WUWZWILLGVJJGX-SWLSCSKDSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000252732846 474708494 /nfs/dbraw/zinc/70/84/94/474708494.db2.gz WUWZWILLGVJJGX-SWLSCSKDSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000305140805 474703178 /nfs/dbraw/zinc/70/31/78/474703178.db2.gz PZOMTXUFTQRLBA-FXAWDEMLSA-N 1 3 342.487 2.616 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000338910580 474723222 /nfs/dbraw/zinc/72/32/22/474723222.db2.gz ATTXMFLOTAHISK-DNVCBOLYSA-N 1 3 347.478 2.761 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000340858205 474723808 /nfs/dbraw/zinc/72/38/08/474723808.db2.gz KCVOOGUNDCRRBO-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000340858205 474723817 /nfs/dbraw/zinc/72/38/17/474723817.db2.gz KCVOOGUNDCRRBO-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)N3CCCc4ccccc43)C2)C1 ZINC000292937237 474724788 /nfs/dbraw/zinc/72/47/88/474724788.db2.gz JNEPZOGLDIKBQH-NRFANRHFSA-N 1 3 341.499 2.774 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)N3CCCc4ccccc43)C2)C1 ZINC000292937237 474724792 /nfs/dbraw/zinc/72/47/92/474724792.db2.gz JNEPZOGLDIKBQH-NRFANRHFSA-N 1 3 341.499 2.774 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000340862905 474728886 /nfs/dbraw/zinc/72/88/86/474728886.db2.gz VIYWQIANVCMWGA-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000340862905 474728892 /nfs/dbraw/zinc/72/88/92/474728892.db2.gz VIYWQIANVCMWGA-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340862902 474729395 /nfs/dbraw/zinc/72/93/95/474729395.db2.gz VIYWQIANVCMWGA-NZSAHSFTSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340862902 474729403 /nfs/dbraw/zinc/72/94/03/474729403.db2.gz VIYWQIANVCMWGA-NZSAHSFTSA-N 1 3 346.519 2.851 20 0 EFADHO CCOc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292964887 474737625 /nfs/dbraw/zinc/73/76/25/474737625.db2.gz LSBOGFLNDMYEFN-FQEVSTJZSA-N 1 3 345.487 2.832 20 0 EFADHO CCOc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292964887 474737630 /nfs/dbraw/zinc/73/76/30/474737630.db2.gz LSBOGFLNDMYEFN-FQEVSTJZSA-N 1 3 345.487 2.832 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000344567665 474762900 /nfs/dbraw/zinc/76/29/00/474762900.db2.gz UIJKQOCZQGBOFO-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000268065895 474778354 /nfs/dbraw/zinc/77/83/54/474778354.db2.gz ARIHIQWMUCPEKJ-IBGZPJMESA-N 1 3 329.488 2.755 20 0 EFADHO COC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000278700918 474782990 /nfs/dbraw/zinc/78/29/90/474782990.db2.gz HKKKBWXEMINJRU-BTHPGYMESA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000278700918 474782999 /nfs/dbraw/zinc/78/29/99/474782999.db2.gz HKKKBWXEMINJRU-BTHPGYMESA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000278700940 474783440 /nfs/dbraw/zinc/78/34/40/474783440.db2.gz HKKKBWXEMINJRU-RSPOEFSDSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000278700940 474783448 /nfs/dbraw/zinc/78/34/48/474783448.db2.gz HKKKBWXEMINJRU-RSPOEFSDSA-N 1 3 332.488 2.681 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000623059998 480126336 /nfs/dbraw/zinc/12/63/36/480126336.db2.gz BMLGUPUCEBRCDQ-QGZVFWFLSA-N 1 3 330.476 2.602 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000340944091 474804394 /nfs/dbraw/zinc/80/43/94/474804394.db2.gz ZIWCNZSYIHTFCS-FGTMMUONSA-N 1 3 338.540 2.525 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1cnnn1Cc1ccccc1 ZINC000292025529 474806540 /nfs/dbraw/zinc/80/65/40/474806540.db2.gz XPQDMZHPQUEVED-KRWDZBQOSA-N 1 3 329.492 2.927 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338990632 474809595 /nfs/dbraw/zinc/80/95/95/474809595.db2.gz RSLYYFXREMFBJU-INIZCTEOSA-N 1 3 334.508 2.536 20 0 EFADHO O[C@H](C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000307935258 474815028 /nfs/dbraw/zinc/81/50/28/474815028.db2.gz KQTALYRNCLPVAY-BBWFWOEESA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000307935258 474815035 /nfs/dbraw/zinc/81/50/35/474815035.db2.gz KQTALYRNCLPVAY-BBWFWOEESA-N 1 3 342.405 2.754 20 0 EFADHO CC[C@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000310080627 474822955 /nfs/dbraw/zinc/82/29/55/474822955.db2.gz JAGCZIBSUWSVPP-UYAOXDASSA-N 1 3 329.488 2.547 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCN1CC)[NH+]1CCCC1 ZINC000340964511 474826292 /nfs/dbraw/zinc/82/62/92/474826292.db2.gz LQARASMMTPBHQZ-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO CN1CC[C@]2(CC[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292062325 474826713 /nfs/dbraw/zinc/82/67/13/474826713.db2.gz CPWBUQZTJPVRHR-INIZCTEOSA-N 1 3 344.377 2.992 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292062325 474826719 /nfs/dbraw/zinc/82/67/19/474826719.db2.gz CPWBUQZTJPVRHR-INIZCTEOSA-N 1 3 344.377 2.992 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)NCCCN(C)Cc1ccccc1 ZINC000310598559 474829297 /nfs/dbraw/zinc/82/92/97/474829297.db2.gz JNKKVHNQVADISP-UHFFFAOYSA-N 1 3 339.483 2.700 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310956168 474830219 /nfs/dbraw/zinc/83/02/19/474830219.db2.gz NEVXFVNNLIARKN-OXJNMPFZSA-N 1 3 337.467 2.786 20 0 EFADHO Cc1cc(Br)c(CNCCC[N@@H+](C)CCN(C)C)s1 ZINC000623087526 480133309 /nfs/dbraw/zinc/13/33/09/480133309.db2.gz XBJICSZMVYDGRU-UHFFFAOYSA-N 1 3 348.354 2.792 20 0 EFADHO Cc1cc(Br)c(CNCCC[N@H+](C)CCN(C)C)s1 ZINC000623087526 480133314 /nfs/dbraw/zinc/13/33/14/480133314.db2.gz XBJICSZMVYDGRU-UHFFFAOYSA-N 1 3 348.354 2.792 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000278862340 474879655 /nfs/dbraw/zinc/87/96/55/474879655.db2.gz RDURDCREJRVYIR-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000278862340 474879663 /nfs/dbraw/zinc/87/96/63/474879663.db2.gz RDURDCREJRVYIR-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000278862340 474879674 /nfs/dbraw/zinc/87/96/74/474879674.db2.gz RDURDCREJRVYIR-VIYGXFRKSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000341016104 474882252 /nfs/dbraw/zinc/88/22/52/474882252.db2.gz CCQZKFZJIWVMTH-JFRXWTBNSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000341016104 474882257 /nfs/dbraw/zinc/88/22/57/474882257.db2.gz CCQZKFZJIWVMTH-JFRXWTBNSA-N 1 3 344.503 2.604 20 0 EFADHO C[N@H+](CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150063 474885254 /nfs/dbraw/zinc/88/52/54/474885254.db2.gz CAGKKTQYNOAQAL-DOTOQJQBSA-N 1 3 330.538 2.586 20 0 EFADHO C[N@@H+](CCCN[C@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150063 474885263 /nfs/dbraw/zinc/88/52/63/474885263.db2.gz CAGKKTQYNOAQAL-DOTOQJQBSA-N 1 3 330.538 2.586 20 0 EFADHO C[N@H+](CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150067 474885403 /nfs/dbraw/zinc/88/54/03/474885403.db2.gz CAGKKTQYNOAQAL-RDJZCZTQSA-N 1 3 330.538 2.586 20 0 EFADHO C[N@@H+](CCCN[C@H]1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150067 474885410 /nfs/dbraw/zinc/88/54/10/474885410.db2.gz CAGKKTQYNOAQAL-RDJZCZTQSA-N 1 3 330.538 2.586 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCCN(C)CCN(C)C)CCN1Cc1ccccc1 ZINC000623087132 480132248 /nfs/dbraw/zinc/13/22/48/480132248.db2.gz BAZBHALMIVTDBY-FPOVZHCZSA-N 1 3 346.563 2.513 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000292190662 474895222 /nfs/dbraw/zinc/89/52/22/474895222.db2.gz XNEZNIJIRDTKGX-HKUYNNGSSA-N 1 3 347.503 2.727 20 0 EFADHO COc1ccccc1N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000339068877 474897683 /nfs/dbraw/zinc/89/76/83/474897683.db2.gz IIWFATBTIXHNDM-QZTJIDSGSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068877 474897695 /nfs/dbraw/zinc/89/76/95/474897695.db2.gz IIWFATBTIXHNDM-QZTJIDSGSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000339068877 474897701 /nfs/dbraw/zinc/89/77/01/474897701.db2.gz IIWFATBTIXHNDM-QZTJIDSGSA-N 1 3 329.488 2.880 20 0 EFADHO CN(C)CCN(C)CCC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000623087703 480132936 /nfs/dbraw/zinc/13/29/36/480132936.db2.gz DITABCPHZIYTSN-UHFFFAOYSA-N 1 3 334.895 2.861 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000285143759 474905786 /nfs/dbraw/zinc/90/57/86/474905786.db2.gz LZMXQWLEZSOGLI-AQNXPRMDSA-N 1 3 330.472 2.737 20 0 EFADHO CC[NH+](CC)Cc1ccc(CN[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000273456225 474907071 /nfs/dbraw/zinc/90/70/71/474907071.db2.gz GWXPGHYFDJBUSA-FQEVSTJZSA-N 1 3 339.483 2.715 20 0 EFADHO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278909652 474909243 /nfs/dbraw/zinc/90/92/43/474909243.db2.gz JMACXPDUCLWGKI-PCCBWWKXSA-N 1 3 343.515 2.793 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)COC(C)C)CC1 ZINC000337339329 474912091 /nfs/dbraw/zinc/91/20/91/474912091.db2.gz OPIKILYIVDQOMT-GOSISDBHSA-N 1 3 333.520 2.727 20 0 EFADHO C[C@H](CNC[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000320783984 474919016 /nfs/dbraw/zinc/91/90/16/474919016.db2.gz VUKCPOJZIBIMIN-QAPCUYQASA-N 1 3 340.895 2.539 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000320783984 474919026 /nfs/dbraw/zinc/91/90/26/474919026.db2.gz VUKCPOJZIBIMIN-QAPCUYQASA-N 1 3 340.895 2.539 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000341053639 474919732 /nfs/dbraw/zinc/91/97/32/474919732.db2.gz JHYCFGCFXWLJBG-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000341053639 474919737 /nfs/dbraw/zinc/91/97/37/474919737.db2.gz JHYCFGCFXWLJBG-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000337354697 474930794 /nfs/dbraw/zinc/93/07/94/474930794.db2.gz DFEYVDDSFWTOAV-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000337354697 474930800 /nfs/dbraw/zinc/93/08/00/474930800.db2.gz DFEYVDDSFWTOAV-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000337354698 474930857 /nfs/dbraw/zinc/93/08/57/474930857.db2.gz DFEYVDDSFWTOAV-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000337354698 474930865 /nfs/dbraw/zinc/93/08/65/474930865.db2.gz DFEYVDDSFWTOAV-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337357184 474932447 /nfs/dbraw/zinc/93/24/47/474932447.db2.gz FPOMBEVNCIQJMY-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000337357184 474932456 /nfs/dbraw/zinc/93/24/56/474932456.db2.gz FPOMBEVNCIQJMY-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337361047 474938298 /nfs/dbraw/zinc/93/82/98/474938298.db2.gz FSXSATRSPCJZCN-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000278977181 474950923 /nfs/dbraw/zinc/95/09/23/474950923.db2.gz OEURFJQJLKAUKY-HOJAQTOUSA-N 1 3 338.499 2.946 20 0 EFADHO CC1CCN(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000337374263 474951570 /nfs/dbraw/zinc/95/15/70/474951570.db2.gz QPQLHOKAIJBICW-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000337383398 474960978 /nfs/dbraw/zinc/96/09/78/474960978.db2.gz DBEHZTIIZDTGQS-SFHVURJKSA-N 1 3 340.556 2.728 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000337383398 474960983 /nfs/dbraw/zinc/96/09/83/474960983.db2.gz DBEHZTIIZDTGQS-SFHVURJKSA-N 1 3 340.556 2.728 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000337385531 474963044 /nfs/dbraw/zinc/96/30/44/474963044.db2.gz WYNVDNXFDHAZIT-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC[C@H](C)C1 ZINC000337391769 474971279 /nfs/dbraw/zinc/97/12/79/474971279.db2.gz ZWXJLUZQIVQJGS-IRXDYDNUSA-N 1 3 338.540 2.718 20 0 EFADHO CCc1cc(OC)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000337399083 474977016 /nfs/dbraw/zinc/97/70/16/474977016.db2.gz QLZLLLIIYVKWKJ-UTKZUKDTSA-N 1 3 345.531 2.715 20 0 EFADHO CN(C(=O)C1(C[NH3+])CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000261557135 474983287 /nfs/dbraw/zinc/98/32/87/474983287.db2.gz RGJDWHYQDGJUPQ-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341112964 474988113 /nfs/dbraw/zinc/98/81/13/474988113.db2.gz APAUURAUPHWQKZ-BBWFWOEESA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341112964 474988118 /nfs/dbraw/zinc/98/81/18/474988118.db2.gz APAUURAUPHWQKZ-BBWFWOEESA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261607592 474992364 /nfs/dbraw/zinc/99/23/64/474992364.db2.gz AVGZWUGNOUPVSY-HNAYVOBHSA-N 1 3 345.487 2.611 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261607592 474992371 /nfs/dbraw/zinc/99/23/71/474992371.db2.gz AVGZWUGNOUPVSY-HNAYVOBHSA-N 1 3 345.487 2.611 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000341117989 474994216 /nfs/dbraw/zinc/99/42/16/474994216.db2.gz QMMXKKMOGKBSEU-SQNIBIBYSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CC[C@H](N2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000341117989 474994225 /nfs/dbraw/zinc/99/42/25/474994225.db2.gz QMMXKKMOGKBSEU-SQNIBIBYSA-N 1 3 336.524 2.519 20 0 EFADHO FC(F)(F)c1cccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000261617599 474997808 /nfs/dbraw/zinc/99/78/08/474997808.db2.gz AHVLOBKBDRWDDG-CQSZACIVSA-N 1 3 327.394 2.827 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCC[C@@H]1C ZINC000337447679 475027940 /nfs/dbraw/zinc/02/79/40/475027940.db2.gz CVAOCEJYPCLSJO-OALUTQOASA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCC[C@@H]1C ZINC000337447679 475027945 /nfs/dbraw/zinc/02/79/45/475027945.db2.gz CVAOCEJYPCLSJO-OALUTQOASA-N 1 3 325.541 2.540 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261698146 475028965 /nfs/dbraw/zinc/02/89/65/475028965.db2.gz OLQJIWAEEGSESI-VKJFTORMSA-N 1 3 349.906 2.981 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000341216788 475030080 /nfs/dbraw/zinc/03/00/80/475030080.db2.gz NKSDRWCJQUNCLV-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C[C@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261702001 475031687 /nfs/dbraw/zinc/03/16/87/475031687.db2.gz CTSDXNMPHGGMGW-SWLSCSKDSA-N 1 3 345.409 2.942 20 0 EFADHO O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(CC2CC[NH2+]CC2)C1 ZINC000261714498 475037057 /nfs/dbraw/zinc/03/70/57/475037057.db2.gz JCTOTSBHOGWRFU-CZUORRHYSA-N 1 3 328.378 2.813 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000339204288 475037053 /nfs/dbraw/zinc/03/70/53/475037053.db2.gz VHMRUEBDTYZQPH-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1 ZINC000339204288 475037062 /nfs/dbraw/zinc/03/70/62/475037062.db2.gz VHMRUEBDTYZQPH-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)C/C=C/C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292460462 475038256 /nfs/dbraw/zinc/03/82/56/475038256.db2.gz LTKICMBUBNZOCZ-YRVHBARZSA-N 1 3 329.488 2.523 20 0 EFADHO CN(C)C/C=C/C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292460462 475038263 /nfs/dbraw/zinc/03/82/63/475038263.db2.gz LTKICMBUBNZOCZ-YRVHBARZSA-N 1 3 329.488 2.523 20 0 EFADHO COc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000261747060 475047491 /nfs/dbraw/zinc/04/74/91/475047491.db2.gz PTFBNVYHRCGKRH-XLIONFOSSA-N 1 3 326.440 2.878 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000337477012 475051810 /nfs/dbraw/zinc/05/18/10/475051810.db2.gz SPSCHLRPHBUXHC-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000337477012 475051820 /nfs/dbraw/zinc/05/18/20/475051820.db2.gz SPSCHLRPHBUXHC-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000294038697 475061542 /nfs/dbraw/zinc/06/15/42/475061542.db2.gz IGWKLJCRXPXRFK-FUHWJXTLSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268908786 475065091 /nfs/dbraw/zinc/06/50/91/475065091.db2.gz FNDLMZKOBPSSJC-SJLPKXTDSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268908786 475065097 /nfs/dbraw/zinc/06/50/97/475065097.db2.gz FNDLMZKOBPSSJC-SJLPKXTDSA-N 1 3 331.504 2.791 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000339242176 475073119 /nfs/dbraw/zinc/07/31/19/475073119.db2.gz ZMRBMHQVWIQLIN-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000261828468 475076120 /nfs/dbraw/zinc/07/61/20/475076120.db2.gz UACBAVPLRRDGRO-QRVBRYPASA-N 1 3 329.488 2.623 20 0 EFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000268932706 475080207 /nfs/dbraw/zinc/08/02/07/475080207.db2.gz ZYLMAQKMYVTMGE-OAHLLOKOSA-N 1 3 330.476 2.562 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261837017 475080547 /nfs/dbraw/zinc/08/05/47/475080547.db2.gz NOFCNBPAVADNBT-DLBZAZTESA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000268949055 475088420 /nfs/dbraw/zinc/08/84/20/475088420.db2.gz BSOCOXKFOMZGEN-KBPBESRZSA-N 1 3 333.501 2.835 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000268947634 475088780 /nfs/dbraw/zinc/08/87/80/475088780.db2.gz BOZDHWIJJXKCKZ-LBPRGKRZSA-N 1 3 332.366 2.693 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000268947632 475089836 /nfs/dbraw/zinc/08/98/36/475089836.db2.gz BOZDHWIJJXKCKZ-GFCCVEGCSA-N 1 3 332.366 2.693 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000268972348 475103283 /nfs/dbraw/zinc/10/32/83/475103283.db2.gz IJTGIWFWJWQUMU-LBPRGKRZSA-N 1 3 332.366 2.693 20 0 EFADHO CCOc1ccc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000268975833 475105321 /nfs/dbraw/zinc/10/53/21/475105321.db2.gz JEFHIIIZOKOHLT-HNNXBMFYSA-N 1 3 336.476 2.591 20 0 EFADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC1CC[NH2+]CC1 ZINC000261907372 475108153 /nfs/dbraw/zinc/10/81/53/475108153.db2.gz ZGBNKZHUWHSQQR-HXUWFJFHSA-N 1 3 330.472 2.626 20 0 EFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)C[NH+]1CCCC1 ZINC000281196964 475110801 /nfs/dbraw/zinc/11/08/01/475110801.db2.gz JXJJSUHPHZSZES-XJKSGUPXSA-N 1 3 330.394 2.683 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261922918 475114116 /nfs/dbraw/zinc/11/41/16/475114116.db2.gz KRSBCQIQHPNWLO-MSOLQXFVSA-N 1 3 344.503 2.828 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)ccc2O1 ZINC000268991169 475115508 /nfs/dbraw/zinc/11/55/08/475115508.db2.gz WAIRQKYWVCRMJB-MOPGFXCFSA-N 1 3 344.499 2.868 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CCCO)CC2)CC1 ZINC000341530413 475117874 /nfs/dbraw/zinc/11/78/74/475117874.db2.gz NETRKLVYJIUROY-UHFFFAOYSA-N 1 3 345.531 2.813 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000287386232 475123778 /nfs/dbraw/zinc/12/37/78/475123778.db2.gz VCBHIDAYXSZIQB-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000269015856 475128106 /nfs/dbraw/zinc/12/81/06/475128106.db2.gz OJNYINAXKZXBTJ-GUXCAODWSA-N 1 3 331.504 2.760 20 0 EFADHO CNC(=O)C1CCC([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000269020546 475129743 /nfs/dbraw/zinc/12/97/43/475129743.db2.gz PRQQQLSSOSKKSQ-HJOIGYKYSA-N 1 3 347.503 2.582 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000262001036 475143706 /nfs/dbraw/zinc/14/37/06/475143706.db2.gz PSGUZBRRBDTXCC-IRXDYDNUSA-N 1 3 331.504 2.882 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccccc1 ZINC000337576864 475144518 /nfs/dbraw/zinc/14/45/18/475144518.db2.gz JJLQMBSMSRSKLW-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCc1ccccc1 ZINC000337576864 475144527 /nfs/dbraw/zinc/14/45/27/475144527.db2.gz JJLQMBSMSRSKLW-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269048647 475146739 /nfs/dbraw/zinc/14/67/39/475146739.db2.gz VGKMHBLMLTXDGP-VXGBXAGGSA-N 1 3 334.432 2.674 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000262022967 475149519 /nfs/dbraw/zinc/14/95/19/475149519.db2.gz YMMHUAYWVPHCFE-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269060812 475154385 /nfs/dbraw/zinc/15/43/85/475154385.db2.gz KDPVTGDZUCQGSN-XLIONFOSSA-N 1 3 344.503 2.939 20 0 EFADHO COc1cc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)ccc1OCCO ZINC000341570267 475155199 /nfs/dbraw/zinc/15/51/99/475155199.db2.gz DYEXFQIWLHBCAU-RDJZCZTQSA-N 1 3 336.476 2.591 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000339351508 475156246 /nfs/dbraw/zinc/15/62/46/475156246.db2.gz AOMMUNFBQPKHMK-LJQANCHMSA-N 1 3 344.503 2.609 20 0 EFADHO CC(C)CN1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341597833 475175751 /nfs/dbraw/zinc/17/57/51/475175751.db2.gz SHUYESOUMXMCOA-UHFFFAOYSA-N 1 3 330.520 2.756 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262119541 475176280 /nfs/dbraw/zinc/17/62/80/475176280.db2.gz IJNUBUYTZDKDHR-TXPKVOOTSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262119541 475176286 /nfs/dbraw/zinc/17/62/86/475176286.db2.gz IJNUBUYTZDKDHR-TXPKVOOTSA-N 1 3 331.504 2.908 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1OC ZINC000341598126 475176475 /nfs/dbraw/zinc/17/64/75/475176475.db2.gz OVFFQMHDDHLKFM-RDJZCZTQSA-N 1 3 336.476 2.855 20 0 EFADHO C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000262151864 475185335 /nfs/dbraw/zinc/18/53/35/475185335.db2.gz FZUKDIQYIKKASZ-KXBFYZLASA-N 1 3 341.455 2.902 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OC[C@H]4CCCO4)cc3)C[C@@H]21 ZINC000262174705 475190593 /nfs/dbraw/zinc/19/05/93/475190593.db2.gz VRQKJXOXWNCVRU-RSPOEFSDSA-N 1 3 330.472 2.804 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]12 ZINC000262198146 475197078 /nfs/dbraw/zinc/19/70/78/475197078.db2.gz ZUKGXFFBNNIKNA-COLVAYQJSA-N 1 3 343.240 2.636 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cc3ccccc3o2)C1)[C@@H]1CCC[NH2+]1 ZINC000262310586 475218378 /nfs/dbraw/zinc/21/83/78/475218378.db2.gz YWQMBBGGVBBVSJ-QAPCUYQASA-N 1 3 341.455 2.513 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1NCCc2ccccc21)[NH+]1CCCCC1 ZINC000262356745 475224453 /nfs/dbraw/zinc/22/44/53/475224453.db2.gz JRJBZFUWMYHTDX-RTBURBONSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)c1csc(CC[NH3+])n1)c1ccccc1 ZINC000262368772 475225489 /nfs/dbraw/zinc/22/54/89/475225489.db2.gz LRDUWTVGSMLVGU-CYBMUJFWSA-N 1 3 346.500 2.504 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357881619 475228165 /nfs/dbraw/zinc/22/81/65/475228165.db2.gz SAWKWGFVVVXYJH-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000341709802 475241029 /nfs/dbraw/zinc/24/10/29/475241029.db2.gz XYPZFMIJSUSEIV-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000262437635 475241603 /nfs/dbraw/zinc/24/16/03/475241603.db2.gz GMJQEGSTKOSHRW-VHRBIJSZSA-N 1 3 342.270 2.991 20 0 EFADHO CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000361174219 475244723 /nfs/dbraw/zinc/24/47/23/475244723.db2.gz VBHNCFRSKWIREW-AEFFLSMTSA-N 1 3 347.503 2.713 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000262537497 475258457 /nfs/dbraw/zinc/25/84/57/475258457.db2.gz QOMXJQNADXNBCU-JTNHKYCSSA-N 1 3 342.270 2.991 20 0 EFADHO CN(C)C1(C[N@H+](C)CCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000352413055 475268814 /nfs/dbraw/zinc/26/88/14/475268814.db2.gz LITFQSXPHPSYAL-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CN(C)C1(C[N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CCC1 ZINC000352413055 475268816 /nfs/dbraw/zinc/26/88/16/475268816.db2.gz LITFQSXPHPSYAL-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CN(CCCN1CCN(c2ccccc2)CC1)CC1([NH+](C)C)CCC1 ZINC000352413055 475268826 /nfs/dbraw/zinc/26/88/26/475268826.db2.gz LITFQSXPHPSYAL-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296328055 475271550 /nfs/dbraw/zinc/27/15/50/475271550.db2.gz HOLYFCHSCKEAOE-HZPDHXFCSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296328055 475271560 /nfs/dbraw/zinc/27/15/60/475271560.db2.gz HOLYFCHSCKEAOE-HZPDHXFCSA-N 1 3 329.488 2.818 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)[C@@H](C)C1 ZINC000361221351 475280722 /nfs/dbraw/zinc/28/07/22/475280722.db2.gz RQAFUYCLOLJHKA-NSHGMRRFSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000347422087 475311756 /nfs/dbraw/zinc/31/17/56/475311756.db2.gz VRQXNSGLCOUCOG-IXDOHACOSA-N 1 3 347.503 2.795 20 0 EFADHO CC[N@H+](CCN1CCCOCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361281920 475324370 /nfs/dbraw/zinc/32/43/70/475324370.db2.gz QPSNJWOMKUUTNT-TZIWHRDSSA-N 1 3 345.531 2.866 20 0 EFADHO CC[N@@H+](CCN1CCCOCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361281920 475324372 /nfs/dbraw/zinc/32/43/72/475324372.db2.gz QPSNJWOMKUUTNT-TZIWHRDSSA-N 1 3 345.531 2.866 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000358008417 475330576 /nfs/dbraw/zinc/33/05/76/475330576.db2.gz VJWORLBYAHCFBO-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000358008417 475330569 /nfs/dbraw/zinc/33/05/69/475330569.db2.gz VJWORLBYAHCFBO-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000358008419 475330676 /nfs/dbraw/zinc/33/06/76/475330676.db2.gz VJWORLBYAHCFBO-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000358008419 475330682 /nfs/dbraw/zinc/33/06/82/475330682.db2.gz VJWORLBYAHCFBO-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000337802847 475335032 /nfs/dbraw/zinc/33/50/32/475335032.db2.gz IYKFELBXHRSZRO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000337802847 475335044 /nfs/dbraw/zinc/33/50/44/475335044.db2.gz IYKFELBXHRSZRO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCCN1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000341836497 475343435 /nfs/dbraw/zinc/34/34/35/475343435.db2.gz PBKNPGWSWRHJFJ-CQSZACIVSA-N 1 3 339.505 2.583 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H](O)C(F)F ZINC000296518222 475352663 /nfs/dbraw/zinc/35/26/63/475352663.db2.gz PUNFOYBJSVCUIL-UYTYNIKBSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)C(F)F ZINC000296518222 475352669 /nfs/dbraw/zinc/35/26/69/475352669.db2.gz PUNFOYBJSVCUIL-UYTYNIKBSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)C(F)F ZINC000296518222 475352679 /nfs/dbraw/zinc/35/26/79/475352679.db2.gz PUNFOYBJSVCUIL-UYTYNIKBSA-N 1 3 338.442 2.891 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345682103 475362653 /nfs/dbraw/zinc/36/26/53/475362653.db2.gz ATCXXEMBWUHMNX-CZUORRHYSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345682103 475362664 /nfs/dbraw/zinc/36/26/64/475362664.db2.gz ATCXXEMBWUHMNX-CZUORRHYSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345684814 475364141 /nfs/dbraw/zinc/36/41/41/475364141.db2.gz DJUVQLKZIRPKEY-WFASDCNBSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345684814 475364146 /nfs/dbraw/zinc/36/41/46/475364146.db2.gz DJUVQLKZIRPKEY-WFASDCNBSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000345692117 475369674 /nfs/dbraw/zinc/36/96/74/475369674.db2.gz MIUGXWZUIOFNMJ-BBRMVZONSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)C1 ZINC000345692117 475369680 /nfs/dbraw/zinc/36/96/80/475369680.db2.gz MIUGXWZUIOFNMJ-BBRMVZONSA-N 1 3 339.430 2.517 20 0 EFADHO CCc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361347319 475374785 /nfs/dbraw/zinc/37/47/85/475374785.db2.gz UMIRIHMVGUZMSG-AWEZNQCLSA-N 1 3 337.533 2.904 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000361354255 475380662 /nfs/dbraw/zinc/38/06/62/475380662.db2.gz JUIUTCUDTYRIMD-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO COc1cc(CN(CCC[NH3+])CC2CCCC2)cc2c1OCCO2 ZINC000352526810 475381810 /nfs/dbraw/zinc/38/18/10/475381810.db2.gz SADQASNCSTUEFO-UHFFFAOYSA-N 1 3 334.460 2.807 20 0 EFADHO CCN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H](C)C1 ZINC000358084102 475385352 /nfs/dbraw/zinc/38/53/52/475385352.db2.gz LYWIBIDSOYLUOF-FMKPAKJESA-N 1 3 335.879 2.765 20 0 EFADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000345713126 475388636 /nfs/dbraw/zinc/38/86/36/475388636.db2.gz JVAXLBBYFNESNH-HNNXBMFYSA-N 1 3 325.403 2.636 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000348099612 475388740 /nfs/dbraw/zinc/38/87/40/475388740.db2.gz DMIANSNPEGVNQQ-GOEBONIOSA-N 1 3 346.393 2.827 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000345716603 475389328 /nfs/dbraw/zinc/38/93/28/475389328.db2.gz LMLBJALDJYKITG-UHFFFAOYSA-N 1 3 333.476 2.686 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000345725282 475398000 /nfs/dbraw/zinc/39/80/00/475398000.db2.gz KHLQXKHLCIRLED-BQFCYCMXSA-N 1 3 346.519 2.898 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358101716 475400603 /nfs/dbraw/zinc/40/06/03/475400603.db2.gz ZCPJAOGLIFRHAO-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358101716 475400611 /nfs/dbraw/zinc/40/06/11/475400611.db2.gz ZCPJAOGLIFRHAO-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO CC[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000345730235 475401154 /nfs/dbraw/zinc/40/11/54/475401154.db2.gz XBIMMTZCVVSFLC-DYXWJJEUSA-N 1 3 343.515 2.847 20 0 EFADHO CC[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000345730236 475401356 /nfs/dbraw/zinc/40/13/56/475401356.db2.gz XBIMMTZCVVSFLC-SBHAEUEKSA-N 1 3 343.515 2.847 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C1=CCN(C)CC1 ZINC000358113981 475412269 /nfs/dbraw/zinc/41/22/69/475412269.db2.gz QDBAXPVBHZWRMO-BQFCYCMXSA-N 1 3 348.535 2.589 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1=CCN(C)CC1 ZINC000358113981 475412275 /nfs/dbraw/zinc/41/22/75/475412275.db2.gz QDBAXPVBHZWRMO-BQFCYCMXSA-N 1 3 348.535 2.589 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC[C@H]2CC)[C@@H](C)C1 ZINC000361396068 475412753 /nfs/dbraw/zinc/41/27/53/475412753.db2.gz CZRRXEZJVQQIRD-ZCNNSNEGSA-N 1 3 339.568 2.978 20 0 EFADHO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000354794508 475416545 /nfs/dbraw/zinc/41/65/45/475416545.db2.gz SDSCUKHMOJRBQC-NEWSRXKRSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000354794508 475416552 /nfs/dbraw/zinc/41/65/52/475416552.db2.gz SDSCUKHMOJRBQC-NEWSRXKRSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000296673148 475423184 /nfs/dbraw/zinc/42/31/84/475423184.db2.gz WIIAVGCDUMBGOX-LJQANCHMSA-N 1 3 330.476 2.698 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000296673148 475423193 /nfs/dbraw/zinc/42/31/93/475423193.db2.gz WIIAVGCDUMBGOX-LJQANCHMSA-N 1 3 330.476 2.698 20 0 EFADHO O=C(NCCN1CCCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352577979 475431281 /nfs/dbraw/zinc/43/12/81/475431281.db2.gz SZRUVTUQQJDCGK-FQEVSTJZSA-N 1 3 343.515 2.891 20 0 EFADHO O=C(NCCN1CCCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000352577979 475431290 /nfs/dbraw/zinc/43/12/90/475431290.db2.gz SZRUVTUQQJDCGK-FQEVSTJZSA-N 1 3 343.515 2.891 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000337945618 475451068 /nfs/dbraw/zinc/45/10/68/475451068.db2.gz RKOVVPMCNKYROO-LJQANCHMSA-N 1 3 342.487 2.918 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c(N2CCOCC2)c1 ZINC000341963960 475455358 /nfs/dbraw/zinc/45/53/58/475455358.db2.gz JSUSSRHYOZVIGH-YQVWRLOYSA-N 1 3 331.504 2.650 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)N1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000339740684 475459125 /nfs/dbraw/zinc/45/91/25/475459125.db2.gz PJRPXJJBNITOTQ-FGTMMUONSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000358178732 475464522 /nfs/dbraw/zinc/46/45/22/475464522.db2.gz ZBSHNKNAYFVZQW-ADKAHSJRSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000358178732 475464530 /nfs/dbraw/zinc/46/45/30/475464530.db2.gz ZBSHNKNAYFVZQW-ADKAHSJRSA-N 1 3 338.540 2.621 20 0 EFADHO CC[C@@]1(C)CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354862678 475472077 /nfs/dbraw/zinc/47/20/77/475472077.db2.gz XBVOELURQVUDGA-QUCCMNQESA-N 1 3 331.504 2.918 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000361523263 475518861 /nfs/dbraw/zinc/51/88/61/475518861.db2.gz DMEPPKIEQNNFKG-IEBWSBKVSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000361523263 475518868 /nfs/dbraw/zinc/51/88/68/475518868.db2.gz DMEPPKIEQNNFKG-IEBWSBKVSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000338029006 475521909 /nfs/dbraw/zinc/52/19/09/475521909.db2.gz NSGUIGFVXMQWQO-HXUWFJFHSA-N 1 3 343.515 2.683 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1C ZINC000345874318 475527148 /nfs/dbraw/zinc/52/71/48/475527148.db2.gz WRYYANMLCBQPKQ-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc(C)c1C ZINC000345874318 475527156 /nfs/dbraw/zinc/52/71/56/475527156.db2.gz WRYYANMLCBQPKQ-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)COC2 ZINC000361541339 475532370 /nfs/dbraw/zinc/53/23/70/475532370.db2.gz OHOJZLWGXOQGPC-JKSUJKDBSA-N 1 3 330.472 2.868 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938115 475541957 /nfs/dbraw/zinc/54/19/57/475541957.db2.gz NCVAPIDOJQIZBG-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938115 475541965 /nfs/dbraw/zinc/54/19/65/475541965.db2.gz NCVAPIDOJQIZBG-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)ccn1 ZINC000348269645 475545555 /nfs/dbraw/zinc/54/55/55/475545555.db2.gz VHOMDOQNZAJXFR-OALUTQOASA-N 1 3 325.456 2.915 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000338055266 475550888 /nfs/dbraw/zinc/55/08/88/475550888.db2.gz ZTMKMSGJAINFHQ-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000338055266 475550893 /nfs/dbraw/zinc/55/08/93/475550893.db2.gz ZTMKMSGJAINFHQ-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc(C)c1F ZINC000346061673 475556422 /nfs/dbraw/zinc/55/64/22/475556422.db2.gz AODFMVCAOJTTPB-JKSUJKDBSA-N 1 3 335.467 2.681 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000342100394 475556471 /nfs/dbraw/zinc/55/64/71/475556471.db2.gz KDOUBCAIOMGVLJ-RMRDIRSESA-N 1 3 345.462 2.689 20 0 EFADHO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000346083856 475557426 /nfs/dbraw/zinc/55/74/26/475557426.db2.gz CAWVEXLFUWHLNY-HZPDHXFCSA-N 1 3 343.471 2.979 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000338075538 475567993 /nfs/dbraw/zinc/56/79/93/475567993.db2.gz BKDWMNNXYLTHCI-KRWDZBQOSA-N 1 3 327.472 2.637 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000338075538 475567999 /nfs/dbraw/zinc/56/79/99/475567999.db2.gz BKDWMNNXYLTHCI-KRWDZBQOSA-N 1 3 327.472 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000346279145 475578967 /nfs/dbraw/zinc/57/89/67/475578967.db2.gz VBAQTALALOKHTJ-VJANTYMQSA-N 1 3 335.536 2.686 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccc(C)cc3C)C2)CC1 ZINC000348307870 475578979 /nfs/dbraw/zinc/57/89/79/475578979.db2.gz QPBBWCBOLUWOGF-SFHVURJKSA-N 1 3 343.515 2.693 20 0 EFADHO CSCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358313459 475583401 /nfs/dbraw/zinc/58/34/01/475583401.db2.gz DHUFNPPYBPVBDE-QBUWPKIASA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358313459 475583409 /nfs/dbraw/zinc/58/34/09/475583409.db2.gz DHUFNPPYBPVBDE-QBUWPKIASA-N 1 3 334.529 2.886 20 0 EFADHO c1ccc(CN2C[C@@H]3C[NH+](CCO[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348321999 475590817 /nfs/dbraw/zinc/59/08/17/475590817.db2.gz OHZZOBRJPMEZLA-UFYCRDLUSA-N 1 3 330.472 2.593 20 0 EFADHO C[C@@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000297071723 475598480 /nfs/dbraw/zinc/59/84/80/475598480.db2.gz ZOOSPTMKPTVXBM-AWEZNQCLSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352763660 475598655 /nfs/dbraw/zinc/59/86/55/475598655.db2.gz QEXSTYBRWBJETM-WMZOPIPTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352763660 475598662 /nfs/dbraw/zinc/59/86/62/475598662.db2.gz QEXSTYBRWBJETM-WMZOPIPTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352763660 475598667 /nfs/dbraw/zinc/59/86/67/475598667.db2.gz QEXSTYBRWBJETM-WMZOPIPTSA-N 1 3 331.504 2.791 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000339916641 475611280 /nfs/dbraw/zinc/61/12/80/475611280.db2.gz JPRNFSITCRAIQS-LJQANCHMSA-N 1 3 346.519 2.581 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352777564 475613110 /nfs/dbraw/zinc/61/31/10/475613110.db2.gz HINMJZAXEOMWOE-BQFCYCMXSA-N 1 3 334.508 2.707 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352777564 475613118 /nfs/dbraw/zinc/61/31/18/475613118.db2.gz HINMJZAXEOMWOE-BQFCYCMXSA-N 1 3 334.508 2.707 20 0 EFADHO CCn1cccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000348355697 475614605 /nfs/dbraw/zinc/61/46/05/475614605.db2.gz LMYBUFFOBQKVQL-YLJYHZDGSA-N 1 3 339.483 2.868 20 0 EFADHO CC[C@@H]1CN(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000348359383 475616428 /nfs/dbraw/zinc/61/64/28/475616428.db2.gz SSMNTSTVJZTCRT-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000348359383 475616436 /nfs/dbraw/zinc/61/64/36/475616436.db2.gz SSMNTSTVJZTCRT-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000348359383 475616445 /nfs/dbraw/zinc/61/64/45/475616445.db2.gz SSMNTSTVJZTCRT-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](N[C@@H](CO)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000358381044 475633804 /nfs/dbraw/zinc/63/38/04/475633804.db2.gz YNCSNFNWRCTJLK-TZMCWYRMSA-N 1 3 334.382 2.591 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000339948063 475633884 /nfs/dbraw/zinc/63/38/84/475633884.db2.gz VWKBCWXYIWKOOO-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000355061295 475635502 /nfs/dbraw/zinc/63/55/02/475635502.db2.gz QDTUQDUZRFQCJB-AOIWGVFYSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000355061295 475635510 /nfs/dbraw/zinc/63/55/10/475635510.db2.gz QDTUQDUZRFQCJB-AOIWGVFYSA-N 1 3 331.504 2.774 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(CC)C2CC2)C1 ZINC000348396014 475638378 /nfs/dbraw/zinc/63/83/78/475638378.db2.gz MDZRUBHFNNAHRQ-MRXNPFEDSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(CC)C2CC2)C1 ZINC000348396014 475638382 /nfs/dbraw/zinc/63/83/82/475638382.db2.gz MDZRUBHFNNAHRQ-MRXNPFEDSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12CCC2 ZINC000355068517 475641465 /nfs/dbraw/zinc/64/14/65/475641465.db2.gz ZHHNIHCDBPANHV-HKUYNNGSSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC(=O)N[C@H]3C3CC3)CC2)C1 ZINC000342812538 475642309 /nfs/dbraw/zinc/64/23/09/475642309.db2.gz LIUCYBAWLVJDFC-FBVAEJEDSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)CC2)C1 ZINC000342812538 475642317 /nfs/dbraw/zinc/64/23/17/475642317.db2.gz LIUCYBAWLVJDFC-FBVAEJEDSA-N 1 3 333.520 2.676 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000355089774 475658547 /nfs/dbraw/zinc/65/85/47/475658547.db2.gz WYKTZLGHLJJVRP-KRWDZBQOSA-N 1 3 336.524 2.544 20 0 EFADHO CCCCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000339995307 475672188 /nfs/dbraw/zinc/67/21/88/475672188.db2.gz YXLPMOAZCSTFKI-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355110656 475673594 /nfs/dbraw/zinc/67/35/94/475673594.db2.gz WOVSMSDVZMARJH-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(C)c1 ZINC000346600201 475690457 /nfs/dbraw/zinc/69/04/57/475690457.db2.gz CMJBODIMSHKWSY-LJQANCHMSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)c(C)c1 ZINC000346600201 475690463 /nfs/dbraw/zinc/69/04/63/475690463.db2.gz CMJBODIMSHKWSY-LJQANCHMSA-N 1 3 331.504 2.792 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353110164 475690691 /nfs/dbraw/zinc/69/06/91/475690691.db2.gz JYVRAWCLPYENDC-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353110164 475690697 /nfs/dbraw/zinc/69/06/97/475690697.db2.gz JYVRAWCLPYENDC-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000361714653 475691046 /nfs/dbraw/zinc/69/10/46/475691046.db2.gz SACLTNODKMQAGU-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000338233950 475697946 /nfs/dbraw/zinc/69/79/46/475697946.db2.gz IFZFYYFPMWHCFN-IBGZPJMESA-N 1 3 346.519 2.773 20 0 EFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCCNC2=O)cc1 ZINC000297339123 475714590 /nfs/dbraw/zinc/71/45/90/475714590.db2.gz DZLOIENHXIMGOA-HNNXBMFYSA-N 1 3 342.487 2.884 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000338261447 475724279 /nfs/dbraw/zinc/72/42/79/475724279.db2.gz JYHFDQMCGGBQLI-OTWHNJEPSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000338261447 475724286 /nfs/dbraw/zinc/72/42/86/475724286.db2.gz JYHFDQMCGGBQLI-OTWHNJEPSA-N 1 3 344.503 2.524 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508136 475734659 /nfs/dbraw/zinc/73/46/59/475734659.db2.gz OKMRSFCKNWGLQA-IAGOWNOFSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358510430 475736286 /nfs/dbraw/zinc/73/62/86/475736286.db2.gz RMDJTUBNYWOXKR-OAHLLOKOSA-N 1 3 349.906 2.935 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000346663929 475744809 /nfs/dbraw/zinc/74/48/09/475744809.db2.gz CRBVJFBGUHHTCG-UHFFFAOYSA-N 1 3 346.393 2.958 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358525413 475745812 /nfs/dbraw/zinc/74/58/12/475745812.db2.gz OELDOGLFVQRXII-AOIWGVFYSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358525413 475745817 /nfs/dbraw/zinc/74/58/17/475745817.db2.gz OELDOGLFVQRXII-AOIWGVFYSA-N 1 3 346.519 2.631 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000353189060 475755744 /nfs/dbraw/zinc/75/57/44/475755744.db2.gz VWIPEGFKCQJIBX-RVKKMQEKSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000353189060 475755756 /nfs/dbraw/zinc/75/57/56/475755756.db2.gz VWIPEGFKCQJIBX-RVKKMQEKSA-N 1 3 333.476 2.719 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)N(C)C)cc1 ZINC000338294013 475756395 /nfs/dbraw/zinc/75/63/95/475756395.db2.gz BLJIJZVQSUYHCQ-IBGZPJMESA-N 1 3 346.519 2.629 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CC[N@@H+](CC4CCCC4)C3)CC2)nc1 ZINC000361801492 475765579 /nfs/dbraw/zinc/76/55/79/475765579.db2.gz WLTOOBGUHHDMFI-OAQYLSRUSA-N 1 3 342.531 2.900 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CC[N@H+](CC4CCCC4)C3)CC2)nc1 ZINC000361801492 475765587 /nfs/dbraw/zinc/76/55/87/475765587.db2.gz WLTOOBGUHHDMFI-OAQYLSRUSA-N 1 3 342.531 2.900 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201648 475766132 /nfs/dbraw/zinc/76/61/32/475766132.db2.gz HDCHCMOWRFFBNY-CUWPLCDZSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201648 475766141 /nfs/dbraw/zinc/76/61/41/475766141.db2.gz HDCHCMOWRFFBNY-CUWPLCDZSA-N 1 3 343.515 2.875 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343098935 475767883 /nfs/dbraw/zinc/76/78/83/475767883.db2.gz SSXMDRQKVVONLT-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N1CCC(C)CC1 ZINC000338315521 475777392 /nfs/dbraw/zinc/77/73/92/475777392.db2.gz KCIKJSSSIXKBGO-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO CSC1(CNCc2cnn(Cc3ccccc3)c2)CC[NH+](C)CC1 ZINC000353217693 475777670 /nfs/dbraw/zinc/77/76/70/475777670.db2.gz JECFHXVAEKUQJG-UHFFFAOYSA-N 1 3 344.528 2.848 20 0 EFADHO C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000355269276 475790156 /nfs/dbraw/zinc/79/01/56/475790156.db2.gz CDWXXBVRDJPZPL-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccccc1 ZINC000348665351 475806649 /nfs/dbraw/zinc/80/66/49/475806649.db2.gz ZFAGBQNUCLKVOH-RBUKOAKNSA-N 1 3 333.520 2.642 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000343154315 475813367 /nfs/dbraw/zinc/81/33/67/475813367.db2.gz QMIZVDSUBRMFAB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000343154315 475813375 /nfs/dbraw/zinc/81/33/75/475813375.db2.gz QMIZVDSUBRMFAB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H]1SC ZINC000297581803 475817208 /nfs/dbraw/zinc/81/72/08/475817208.db2.gz IMRJYBNHCFEXGE-KZNAEPCWSA-N 1 3 335.517 2.797 20 0 EFADHO CC1(C)CC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC(C)(C)[NH2+]1 ZINC000333040772 475818779 /nfs/dbraw/zinc/81/87/79/475818779.db2.gz OJGWRXUZFFHOQO-MRXNPFEDSA-N 1 3 336.524 2.612 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000297628383 475836403 /nfs/dbraw/zinc/83/64/03/475836403.db2.gz LWSVQPRXDLLXLB-IFXJQAMLSA-N 1 3 329.419 2.901 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(C(C)C)nc2C)[C@H](C)C1 ZINC000361897803 475851582 /nfs/dbraw/zinc/85/15/82/475851582.db2.gz WHDHMKSZXGDKEK-APWZRJJASA-N 1 3 336.524 2.999 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353305970 475854683 /nfs/dbraw/zinc/85/46/83/475854683.db2.gz TYJCFEILXYICSC-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353305970 475854689 /nfs/dbraw/zinc/85/46/89/475854689.db2.gz TYJCFEILXYICSC-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCCN1C ZINC000346805553 475873400 /nfs/dbraw/zinc/87/34/00/475873400.db2.gz PWWFFKYWKBBPHZ-RSRIQPTJSA-N 1 3 327.516 2.969 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCOCC1 ZINC000340243446 475884130 /nfs/dbraw/zinc/88/41/30/475884130.db2.gz PQOABIBWVKDPJB-MOPGFXCFSA-N 1 3 331.504 2.522 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C2CC2)c1 ZINC000340243443 475884828 /nfs/dbraw/zinc/88/48/28/475884828.db2.gz PPYMYWRMLPFZSQ-GOSISDBHSA-N 1 3 345.531 2.605 20 0 EFADHO CCCNC(=O)[C@@H](C)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358739034 475895425 /nfs/dbraw/zinc/89/54/25/475895425.db2.gz DTXJMTZANYDFEB-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CCCNC(=O)[C@@H](C)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358739034 475895431 /nfs/dbraw/zinc/89/54/31/475895431.db2.gz DTXJMTZANYDFEB-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCN(CCO)CC1 ZINC000353355152 475895897 /nfs/dbraw/zinc/89/58/97/475895897.db2.gz PSERXVFAGFFAIZ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCN(CCO)CC1 ZINC000353355152 475895903 /nfs/dbraw/zinc/89/59/03/475895903.db2.gz PSERXVFAGFFAIZ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000361967644 475903361 /nfs/dbraw/zinc/90/33/61/475903361.db2.gz VLGVYBFXEJQYSF-LJQANCHMSA-N 1 3 334.504 2.794 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000349107300 475903711 /nfs/dbraw/zinc/90/37/11/475903711.db2.gz KDFKXSWXCFUXQM-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000349107300 475903718 /nfs/dbraw/zinc/90/37/18/475903718.db2.gz KDFKXSWXCFUXQM-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000346855742 475914897 /nfs/dbraw/zinc/91/48/97/475914897.db2.gz VKMBCQBYJCOSED-CALCHBBNSA-N 1 3 343.515 2.976 20 0 EFADHO Cn1ccnc1CC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000340286058 475917665 /nfs/dbraw/zinc/91/76/65/475917665.db2.gz LEXMPYDLJWIGFT-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO Cn1ccnc1CC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000340286058 475917671 /nfs/dbraw/zinc/91/76/71/475917671.db2.gz LEXMPYDLJWIGFT-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@@H]2CCCN(C)C2)CCO1 ZINC000297995111 475947603 /nfs/dbraw/zinc/94/76/03/475947603.db2.gz ZBBYGQBILAUZDN-QZTJIDSGSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCN(C)C2)CCO1 ZINC000297995111 475947613 /nfs/dbraw/zinc/94/76/13/475947613.db2.gz ZBBYGQBILAUZDN-QZTJIDSGSA-N 1 3 331.504 2.685 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000355449823 475949972 /nfs/dbraw/zinc/94/99/72/475949972.db2.gz ZFJHCCMMPKZCCF-HKUYNNGSSA-N 1 3 331.504 2.840 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000355449823 475949977 /nfs/dbraw/zinc/94/99/77/475949977.db2.gz ZFJHCCMMPKZCCF-HKUYNNGSSA-N 1 3 331.504 2.840 20 0 EFADHO CN(Cc1cc2c(cc1OC(F)F)OCO2)CC1CC[NH+](C)CC1 ZINC000353418449 475952156 /nfs/dbraw/zinc/95/21/56/475952156.db2.gz DFMNNTFXYCLSFF-UHFFFAOYSA-N 1 3 342.386 2.790 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)N(C)C ZINC000353432582 475961709 /nfs/dbraw/zinc/96/17/09/475961709.db2.gz CCKIYLKLIWZSNT-NQYYFHDYSA-N 1 3 331.504 2.760 20 0 EFADHO NC(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000353450570 475979062 /nfs/dbraw/zinc/97/90/62/475979062.db2.gz ONYPWNLRKMBSBP-HNNXBMFYSA-N 1 3 343.393 2.568 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000353452805 475981747 /nfs/dbraw/zinc/98/17/47/475981747.db2.gz RAEZGDVYZCYMFC-OTWHNJEPSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000353453783 475983824 /nfs/dbraw/zinc/98/38/24/475983824.db2.gz RYXHPOHFYKXOBX-HZPDHXFCSA-N 1 3 330.476 2.519 20 0 EFADHO [NH3+]Cc1cn([C@@H]2CCCN([C@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000333649288 475990882 /nfs/dbraw/zinc/99/08/82/475990882.db2.gz JODIMWWXGSZXQS-DYVFJYSZSA-N 1 3 331.851 2.715 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000353467095 475994450 /nfs/dbraw/zinc/99/44/50/475994450.db2.gz KSQLHISFEAUBEI-YSHGAJCASA-N 1 3 329.488 2.572 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353477493 476004311 /nfs/dbraw/zinc/00/43/11/476004311.db2.gz CAQZBVWXUQNPCR-AESZEHBQSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)N(C)Cc1ccccc1 ZINC000358889492 476016540 /nfs/dbraw/zinc/01/65/40/476016540.db2.gz UZEHDOFJYCMTMT-KXBFYZLASA-N 1 3 343.446 2.505 20 0 EFADHO C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H](C)O1 ZINC000298238068 476029581 /nfs/dbraw/zinc/02/95/81/476029581.db2.gz CAHSDOMZGUUJPB-IAGOWNOFSA-N 1 3 346.519 2.528 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794873 476030244 /nfs/dbraw/zinc/03/02/44/476030244.db2.gz GULACJFYIFEGHR-DIGRKANISA-N 1 3 348.531 2.704 20 0 EFADHO CCO[C@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794873 476030255 /nfs/dbraw/zinc/03/02/55/476030255.db2.gz GULACJFYIFEGHR-DIGRKANISA-N 1 3 348.531 2.704 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(F)ccc([O-])c1F ZINC000353506680 476030537 /nfs/dbraw/zinc/03/05/37/476030537.db2.gz YYSNTEYEVHESSD-AWEZNQCLSA-N 1 3 341.446 2.518 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(F)ccc([O-])c1F ZINC000353506680 476030542 /nfs/dbraw/zinc/03/05/42/476030542.db2.gz YYSNTEYEVHESSD-AWEZNQCLSA-N 1 3 341.446 2.518 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000333811189 476035123 /nfs/dbraw/zinc/03/51/23/476035123.db2.gz JIDIDQIATRVVLU-SILNRBPBSA-N 1 3 347.547 2.911 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)n[nH]1 ZINC000333825384 476038422 /nfs/dbraw/zinc/03/84/22/476038422.db2.gz LNDFJLHETLAMQV-KZNAEPCWSA-N 1 3 331.508 2.587 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000353528322 476048918 /nfs/dbraw/zinc/04/89/18/476048918.db2.gz GKJKMMZOLXZSHI-UHFFFAOYSA-N 1 3 328.460 2.619 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343421593 476050142 /nfs/dbraw/zinc/05/01/42/476050142.db2.gz DGNQJOZMLHASDR-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000343421593 476050149 /nfs/dbraw/zinc/05/01/49/476050149.db2.gz DGNQJOZMLHASDR-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000353532344 476053521 /nfs/dbraw/zinc/05/35/21/476053521.db2.gz WHVUJXOBAYEMQT-UHFFFAOYSA-N 1 3 342.430 2.873 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000340468549 476055031 /nfs/dbraw/zinc/05/50/31/476055031.db2.gz FNZATGKTVIHAKO-XMTFNYHQSA-N 1 3 344.565 2.690 20 0 EFADHO COc1ccc2oc(CN3CCC(OCC[NH+](C)C)CC3)cc2c1 ZINC000353534112 476054966 /nfs/dbraw/zinc/05/49/66/476054966.db2.gz SOEAYXKLYIQBJQ-UHFFFAOYSA-N 1 3 332.444 2.984 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000358943254 476059053 /nfs/dbraw/zinc/05/90/53/476059053.db2.gz OIFYQEVVMNXSLL-SFHVURJKSA-N 1 3 328.460 2.528 20 0 EFADHO CCOc1cc(CN2CCC(OCC[NH+](C)C)CC2)ccc1OC ZINC000353540589 476059505 /nfs/dbraw/zinc/05/95/05/476059505.db2.gz DSEUJCFMAQHZDC-UHFFFAOYSA-N 1 3 336.476 2.637 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CN2CCC(OCC[NH+](C)C)CC2)c1 ZINC000353547314 476065555 /nfs/dbraw/zinc/06/55/55/476065555.db2.gz YDDMYTRZKUYMJM-UHFFFAOYSA-N 1 3 342.487 2.928 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000353546170 476065574 /nfs/dbraw/zinc/06/55/74/476065574.db2.gz VEGJIAZQJROGDI-UHFFFAOYSA-N 1 3 328.403 2.831 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000356225453 476091883 /nfs/dbraw/zinc/09/18/83/476091883.db2.gz PZAMKZZCSPLMLS-SJLPKXTDSA-N 1 3 338.540 2.525 20 0 EFADHO CCOC(=O)COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347097421 476092346 /nfs/dbraw/zinc/09/23/46/476092346.db2.gz IKHNNLMFRKIYEW-LJQANCHMSA-N 1 3 346.471 2.593 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000356243482 476092998 /nfs/dbraw/zinc/09/29/98/476092998.db2.gz MXZVKZAGJSSRCQ-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000356243482 476093008 /nfs/dbraw/zinc/09/30/08/476093008.db2.gz MXZVKZAGJSSRCQ-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000343655234 476099159 /nfs/dbraw/zinc/09/91/59/476099159.db2.gz OGMRHKULPBEPMJ-RCCFBDPRSA-N 1 3 338.540 2.525 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359010398 476111910 /nfs/dbraw/zinc/11/19/10/476111910.db2.gz OGJUPNDJBFVYLB-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO O[C@H]1C[C@@H](CNc2ccnc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000340574798 476115251 /nfs/dbraw/zinc/11/52/51/476115251.db2.gz SQKXTDRXMJYOHE-ROUUACIJSA-N 1 3 333.435 2.704 20 0 EFADHO O[C@H]1C[C@@H](CNc2ccnc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000340574798 476115259 /nfs/dbraw/zinc/11/52/59/476115259.db2.gz SQKXTDRXMJYOHE-ROUUACIJSA-N 1 3 333.435 2.704 20 0 EFADHO COC(=O)c1cc(C[N@H+](C)CC2CCN(c3ccncc3)CC2)c[nH]1 ZINC000350272615 476116038 /nfs/dbraw/zinc/11/60/38/476116038.db2.gz YIPVRRSVWGBOIS-UHFFFAOYSA-N 1 3 342.443 2.545 20 0 EFADHO COC(=O)c1cc(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)c[nH]1 ZINC000350272615 476116044 /nfs/dbraw/zinc/11/60/44/476116044.db2.gz YIPVRRSVWGBOIS-UHFFFAOYSA-N 1 3 342.443 2.545 20 0 EFADHO CCc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336678877 476124211 /nfs/dbraw/zinc/12/42/11/476124211.db2.gz DENZRRLUSBDMGX-WMZOPIPTSA-N 1 3 326.488 2.983 20 0 EFADHO COC(=O)c1coc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000353624350 476133090 /nfs/dbraw/zinc/13/30/90/476133090.db2.gz DMNCBBXUSFGUCM-GFCCVEGCSA-N 1 3 326.462 2.544 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343919539 476134335 /nfs/dbraw/zinc/13/43/35/476134335.db2.gz GCRXQCFXAKTQSQ-UIAACRFSSA-N 1 3 331.479 2.771 20 0 EFADHO CN(CCCN(C)Cc1cc(-c2ccc(F)cc2)no1)CC[NH+](C)C ZINC000344048700 476151375 /nfs/dbraw/zinc/15/13/75/476151375.db2.gz ZDTBUTPYFXQCEM-UHFFFAOYSA-N 1 3 348.466 2.796 20 0 EFADHO CC[NH2+]CC1CCN(Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000347190852 476160489 /nfs/dbraw/zinc/16/04/89/476160489.db2.gz FABYZQVKKTZDHS-UHFFFAOYSA-N 1 3 336.476 2.924 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000336878019 476164490 /nfs/dbraw/zinc/16/44/90/476164490.db2.gz AJXZFKGAOWKOFP-UHFFFAOYSA-N 1 3 329.492 2.831 20 0 EFADHO O=C(CNCCSCc1ccccc1)NCC[NH+]1CCCCCC1 ZINC000353670238 476174320 /nfs/dbraw/zinc/17/43/20/476174320.db2.gz KRSGQAHHBYKCIY-UHFFFAOYSA-N 1 3 349.544 2.502 20 0 EFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000338789583 476187397 /nfs/dbraw/zinc/18/73/97/476187397.db2.gz MIMRKIHJQHTJGY-MANSERQUSA-N 1 3 341.499 2.544 20 0 EFADHO COc1cc2c(c(CN3CCC([C@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000357055385 476192304 /nfs/dbraw/zinc/19/23/04/476192304.db2.gz RACVPTLPGYVZQD-HOCLYGCPSA-N 1 3 330.472 2.840 20 0 EFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4CC[NH2+]C4)CC3)cnc21 ZINC000357057624 476194469 /nfs/dbraw/zinc/19/44/69/476194469.db2.gz UPBFJKDCQFNMHS-QGZVFWFLSA-N 1 3 327.476 2.834 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357058596 476194679 /nfs/dbraw/zinc/19/46/79/476194679.db2.gz VSFORHVCQHFUEV-SFHVURJKSA-N 1 3 339.487 2.706 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000344265060 476200073 /nfs/dbraw/zinc/20/00/73/476200073.db2.gz YVFAYEBCRUPMFC-VQIMIIECSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357070247 476204414 /nfs/dbraw/zinc/20/44/14/476204414.db2.gz GAUPIPFLOQWWOF-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000344278484 476211518 /nfs/dbraw/zinc/21/15/18/476211518.db2.gz UQNCXLJTCJVFEX-MTNOOBJLSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000344278484 476211522 /nfs/dbraw/zinc/21/15/22/476211522.db2.gz UQNCXLJTCJVFEX-MTNOOBJLSA-N 1 3 329.488 2.811 20 0 EFADHO CCN1CCC(Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000347262759 476213892 /nfs/dbraw/zinc/21/38/92/476213892.db2.gz SZFGROIGDFWICD-UHFFFAOYSA-N 1 3 331.508 2.508 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000357083237 476216104 /nfs/dbraw/zinc/21/61/04/476216104.db2.gz ORTXZSAHSNZURP-RLFYNMQTSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000347270994 476219334 /nfs/dbraw/zinc/21/93/34/476219334.db2.gz PGCGQJSKRYWIAH-YJBOKZPZSA-N 1 3 345.512 2.688 20 0 EFADHO [NH3+]CCOCCN1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000357085649 476219446 /nfs/dbraw/zinc/21/94/46/476219446.db2.gz LDGAYRMQIFECAW-ZDUSSCGKSA-N 1 3 333.259 2.812 20 0 EFADHO [NH3+]CCOCCN1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000357085646 476220486 /nfs/dbraw/zinc/22/04/86/476220486.db2.gz LDGAYRMQIFECAW-CYBMUJFWSA-N 1 3 333.259 2.812 20 0 EFADHO COCc1cccc(OCC2(CN3CC[C@@H]4C[NH2+]C[C@H]4C3)CCC2)c1 ZINC000357093592 476227311 /nfs/dbraw/zinc/22/73/11/476227311.db2.gz WVXSSXRMVWVULV-MOPGFXCFSA-N 1 3 344.499 2.923 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000357098791 476230765 /nfs/dbraw/zinc/23/07/65/476230765.db2.gz BKRZYUYGIKZLKA-TXPKVOOTSA-N 1 3 329.488 2.574 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC2CCOCC2)CC1 ZINC000344304354 476232088 /nfs/dbraw/zinc/23/20/88/476232088.db2.gz AKWZWPWDGMWEOI-UHFFFAOYSA-N 1 3 331.504 2.735 20 0 EFADHO COc1ccc(Cl)cc1C[C@@H]1CCCN(CCOCC[NH3+])C1 ZINC000357102122 476233764 /nfs/dbraw/zinc/23/37/64/476233764.db2.gz IKPKPKJLQDNGRP-AWEZNQCLSA-N 1 3 326.868 2.578 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000303452930 476236594 /nfs/dbraw/zinc/23/65/94/476236594.db2.gz JBJAMGOHQYWBKJ-MSOLQXFVSA-N 1 3 340.556 2.917 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303449185 476237432 /nfs/dbraw/zinc/23/74/32/476237432.db2.gz HXKFCZNIHBFLSA-OKZBNKHCSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)CC1 ZINC000362433177 476244251 /nfs/dbraw/zinc/24/42/51/476244251.db2.gz DLAFQAUJWOKTRF-OALUTQOASA-N 1 3 343.515 2.617 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752490 476247183 /nfs/dbraw/zinc/24/71/83/476247183.db2.gz GYDBMBUSZNASAZ-CAMMJAKZSA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752490 476247191 /nfs/dbraw/zinc/24/71/91/476247191.db2.gz GYDBMBUSZNASAZ-CAMMJAKZSA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752492 476248369 /nfs/dbraw/zinc/24/83/69/476248369.db2.gz GYDBMBUSZNASAZ-ISARSNTHSA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752492 476248374 /nfs/dbraw/zinc/24/83/74/476248374.db2.gz GYDBMBUSZNASAZ-ISARSNTHSA-N 1 3 331.504 2.777 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N2CCCC2)c1 ZINC000359579548 476249244 /nfs/dbraw/zinc/24/92/44/476249244.db2.gz DDFNGKVDMSXJCG-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000359579548 476249249 /nfs/dbraw/zinc/24/92/49/476249249.db2.gz DDFNGKVDMSXJCG-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000359579548 476249253 /nfs/dbraw/zinc/24/92/53/476249253.db2.gz DDFNGKVDMSXJCG-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000362440492 476252152 /nfs/dbraw/zinc/25/21/52/476252152.db2.gz QSYDDCHXGMKETC-OKZBNKHCSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000362440492 476252157 /nfs/dbraw/zinc/25/21/57/476252157.db2.gz QSYDDCHXGMKETC-OKZBNKHCSA-N 1 3 338.540 2.526 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246514 476271125 /nfs/dbraw/zinc/27/11/25/476271125.db2.gz OIZRDFMTWOOLNQ-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246514 476271130 /nfs/dbraw/zinc/27/11/30/476271130.db2.gz OIZRDFMTWOOLNQ-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246514 476271134 /nfs/dbraw/zinc/27/11/34/476271134.db2.gz OIZRDFMTWOOLNQ-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246514 476271137 /nfs/dbraw/zinc/27/11/37/476271137.db2.gz OIZRDFMTWOOLNQ-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@H](NCCn1cnnc1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357227362 476297363 /nfs/dbraw/zinc/29/73/63/476297363.db2.gz FBEHOJSXHNFDNF-QFBILLFUSA-N 1 3 339.487 2.656 20 0 EFADHO C[C@H](NCCn1cnnc1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227362 476297368 /nfs/dbraw/zinc/29/73/68/476297368.db2.gz FBEHOJSXHNFDNF-QFBILLFUSA-N 1 3 339.487 2.656 20 0 EFADHO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCN1CCCN(C)CC1 ZINC000360602573 476314764 /nfs/dbraw/zinc/31/47/64/476314764.db2.gz XAWVHTKJKGJAIC-QGZVFWFLSA-N 1 3 343.519 2.501 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1)C1CC1 ZINC000357297222 476320322 /nfs/dbraw/zinc/32/03/22/476320322.db2.gz AYVZOFQKRFRZNE-YZVOILCLSA-N 1 3 329.488 2.787 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000357306715 476324553 /nfs/dbraw/zinc/32/45/53/476324553.db2.gz NJMLOWNMFGIJJE-VQIMIIECSA-N 1 3 347.503 2.679 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(O)CCN(C)CC1 ZINC000360647460 476328632 /nfs/dbraw/zinc/32/86/32/476328632.db2.gz MRVDVMLUMLLJPX-CYBMUJFWSA-N 1 3 330.394 2.683 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357360289 476345389 /nfs/dbraw/zinc/34/53/89/476345389.db2.gz CQBBOCMIXYZFIN-MJGOQNOKSA-N 1 3 347.478 2.768 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)[C@@H]1CCC[NH2+]C1 ZINC000357363051 476345985 /nfs/dbraw/zinc/34/59/85/476345985.db2.gz NHZMOYAYISPLCR-IAGOWNOFSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000357389273 476353990 /nfs/dbraw/zinc/35/39/90/476353990.db2.gz KAFCUBHFAKIFKK-SZVBFZGTSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000357389273 476353993 /nfs/dbraw/zinc/35/39/93/476353993.db2.gz KAFCUBHFAKIFKK-SZVBFZGTSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000357423922 476374504 /nfs/dbraw/zinc/37/45/04/476374504.db2.gz WCNJNCGFXIZERI-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354026675 476375807 /nfs/dbraw/zinc/37/58/07/476375807.db2.gz XOSIGQVCQAMCQN-UTKZUKDTSA-N 1 3 338.499 2.693 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000373124238 476378190 /nfs/dbraw/zinc/37/81/90/476378190.db2.gz QJHICXCEKZACJT-PKOBYXMFSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000369087484 476390159 /nfs/dbraw/zinc/39/01/59/476390159.db2.gz ILTLLYVEKBUAIY-OALUTQOASA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000369087484 476390167 /nfs/dbraw/zinc/39/01/67/476390167.db2.gz ILTLLYVEKBUAIY-OALUTQOASA-N 1 3 331.504 2.601 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354078093 476410937 /nfs/dbraw/zinc/41/09/37/476410937.db2.gz NANYKRFOISABNB-SFHVURJKSA-N 1 3 343.471 2.873 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCCC1 ZINC000360835895 476417747 /nfs/dbraw/zinc/41/77/47/476417747.db2.gz LNDRFRLFWTVCLE-ZFWWWQNUSA-N 1 3 330.394 2.683 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000362819855 476424797 /nfs/dbraw/zinc/42/47/97/476424797.db2.gz HXFGENSNTRPSBO-BWPNAZKDSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000362819855 476424801 /nfs/dbraw/zinc/42/48/01/476424801.db2.gz HXFGENSNTRPSBO-BWPNAZKDSA-N 1 3 343.515 2.696 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000354100621 476426824 /nfs/dbraw/zinc/42/68/24/476426824.db2.gz ODRAISJKLJFFMC-QUCCMNQESA-N 1 3 343.515 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000354100621 476426828 /nfs/dbraw/zinc/42/68/28/476426828.db2.gz ODRAISJKLJFFMC-QUCCMNQESA-N 1 3 343.515 2.687 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362839327 476434620 /nfs/dbraw/zinc/43/46/20/476434620.db2.gz QDYPCXZYAUFXHA-GJYPPUQNSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362839327 476434623 /nfs/dbraw/zinc/43/46/23/476434623.db2.gz QDYPCXZYAUFXHA-GJYPPUQNSA-N 1 3 329.488 2.526 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362890978 476465548 /nfs/dbraw/zinc/46/55/48/476465548.db2.gz HLDUHRVQKZUKGC-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000362890978 476465552 /nfs/dbraw/zinc/46/55/52/476465552.db2.gz HLDUHRVQKZUKGC-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(Cc1cccc2[nH]ccc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377619983 476476923 /nfs/dbraw/zinc/47/69/23/476476923.db2.gz DLWIMKJLLXGVHO-GOSISDBHSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1cccc2[nH]ccc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377619983 476476930 /nfs/dbraw/zinc/47/69/30/476476930.db2.gz DLWIMKJLLXGVHO-GOSISDBHSA-N 1 3 326.488 2.768 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCSCC1 ZINC000354199924 476496179 /nfs/dbraw/zinc/49/61/79/476496179.db2.gz RIOIWTTXYYWPBQ-QGZVFWFLSA-N 1 3 348.560 2.715 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000377748224 476559127 /nfs/dbraw/zinc/55/91/27/476559127.db2.gz SCFHPTCQCYBNOS-XUVXKRRUSA-N 1 3 343.515 2.604 20 0 EFADHO CC(C)(C)[NH+]1CCC(Nc2cccc(CN3CC[C@@H](O)C3)c2)CC1 ZINC000361044218 476563774 /nfs/dbraw/zinc/56/37/74/476563774.db2.gz KRRRAMYUZCVNAL-LJQANCHMSA-N 1 3 331.504 2.928 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377768435 476571129 /nfs/dbraw/zinc/57/11/29/476571129.db2.gz LOMREAZGWWDNTI-VQTJNVASSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000354344752 476600540 /nfs/dbraw/zinc/60/05/40/476600540.db2.gz AKDYKLTUERLDFX-VQTJNVASSA-N 1 3 339.568 2.571 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000357798651 476613009 /nfs/dbraw/zinc/61/30/09/476613009.db2.gz MFMKUTULRRGRPO-SJORKVTESA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000357798651 476613016 /nfs/dbraw/zinc/61/30/16/476613016.db2.gz MFMKUTULRRGRPO-SJORKVTESA-N 1 3 341.455 2.851 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000370008119 476629212 /nfs/dbraw/zinc/62/92/12/476629212.db2.gz NYIVQOOMTUPOPG-MOPGFXCFSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC=C(COC)CC2)CC1 ZINC000361143879 476634428 /nfs/dbraw/zinc/63/44/28/476634428.db2.gz VUMHNICZIOKCDC-UHFFFAOYSA-N 1 3 329.488 2.607 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC=C(COC)CC2)CC1 ZINC000361143879 476634434 /nfs/dbraw/zinc/63/44/34/476634434.db2.gz VUMHNICZIOKCDC-UHFFFAOYSA-N 1 3 329.488 2.607 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000354452038 476670419 /nfs/dbraw/zinc/67/04/19/476670419.db2.gz BEBOIALKKGDTJZ-INIZCTEOSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000378075741 476683539 /nfs/dbraw/zinc/68/35/39/476683539.db2.gz KXYDSUYBHKNUHA-UHOSZYNNSA-N 1 3 333.520 2.726 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000378075741 476683542 /nfs/dbraw/zinc/68/35/42/476683542.db2.gz KXYDSUYBHKNUHA-UHOSZYNNSA-N 1 3 333.520 2.726 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000378332447 476693798 /nfs/dbraw/zinc/69/37/98/476693798.db2.gz GRXXNSNJTIAJBA-QGZVFWFLSA-N 1 3 333.520 2.728 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000378332447 476693809 /nfs/dbraw/zinc/69/38/09/476693809.db2.gz GRXXNSNJTIAJBA-QGZVFWFLSA-N 1 3 333.520 2.728 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1)C1CC1 ZINC000442603864 476698744 /nfs/dbraw/zinc/69/87/44/476698744.db2.gz WNMWAMKFTAFZAI-INIZCTEOSA-N 1 3 329.488 2.872 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(CC)CC ZINC000442875230 476702936 /nfs/dbraw/zinc/70/29/36/476702936.db2.gz NLRFEVDXBCDPMC-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058159 476707922 /nfs/dbraw/zinc/70/79/22/476707922.db2.gz JMHIHBVRWJWMQB-SFHVURJKSA-N 1 3 331.504 2.530 20 0 EFADHO CC1CCN([C@H](CNC(=O)NC(C)(C)CC[NH3+])c2ccccc2)CC1 ZINC000422597303 476715257 /nfs/dbraw/zinc/71/52/57/476715257.db2.gz KBROAYDKPHPPJJ-GOSISDBHSA-N 1 3 346.519 2.886 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422612319 476718501 /nfs/dbraw/zinc/71/85/01/476718501.db2.gz ASLFAXMJNASKGY-QGZVFWFLSA-N 1 3 334.508 2.570 20 0 EFADHO CC(C)(CC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000422624264 476722100 /nfs/dbraw/zinc/72/21/00/476722100.db2.gz YSFWGDNDWRBOSW-KRWDZBQOSA-N 1 3 346.519 2.714 20 0 EFADHO COCCSCCC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000365852592 476732916 /nfs/dbraw/zinc/73/29/16/476732916.db2.gz AJZLAONDVIEYDU-IAGOWNOFSA-N 1 3 344.565 2.577 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000375239857 476733913 /nfs/dbraw/zinc/73/39/13/476733913.db2.gz VUGJFBZFXDFWOE-UHFFFAOYSA-N 1 3 329.532 2.887 20 0 EFADHO CCC(CC)C(=O)N1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422700457 476735047 /nfs/dbraw/zinc/73/50/47/476735047.db2.gz BXYHJYXPEBXTSM-OXJNMPFZSA-N 1 3 345.531 2.962 20 0 EFADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365861797 476737230 /nfs/dbraw/zinc/73/72/30/476737230.db2.gz NXJPDVBYVXVKEC-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO COCCN(C)CC[C@H](N[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709166 476738142 /nfs/dbraw/zinc/73/81/42/476738142.db2.gz CZDLGEOTTXKTRJ-HOJAQTOUSA-N 1 3 333.520 2.816 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422712256 476738663 /nfs/dbraw/zinc/73/86/63/476738663.db2.gz NUAJMQKWPQZXKX-YDHLFZDLSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422712256 476738668 /nfs/dbraw/zinc/73/86/68/476738668.db2.gz NUAJMQKWPQZXKX-YDHLFZDLSA-N 1 3 338.293 2.745 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381175919 476739152 /nfs/dbraw/zinc/73/91/52/476739152.db2.gz ZTYAPCZAJBCSNH-WOJBJXKFSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381175919 476739156 /nfs/dbraw/zinc/73/91/56/476739156.db2.gz ZTYAPCZAJBCSNH-WOJBJXKFSA-N 1 3 343.515 2.922 20 0 EFADHO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC1CCCC1 ZINC000422710194 476739531 /nfs/dbraw/zinc/73/95/31/476739531.db2.gz LBQXDJVIZONYFX-FHLIZLRMSA-N 1 3 348.487 2.859 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422718069 476740660 /nfs/dbraw/zinc/74/06/60/476740660.db2.gz WKXRGDJADDLKIN-IAGOWNOFSA-N 1 3 325.566 2.845 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2c(F)cccc2F)CC[NH2+]CC1 ZINC000422719855 476743381 /nfs/dbraw/zinc/74/33/81/476743381.db2.gz YPJHBKIKKLYFII-OLZOCXBDSA-N 1 3 340.414 2.937 20 0 EFADHO COCCN(C)CC[C@H](N[C@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422720787 476743745 /nfs/dbraw/zinc/74/37/45/476743745.db2.gz TWMQQEICUQZHQT-IHPCNDPISA-N 1 3 333.520 2.674 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422720064 476743989 /nfs/dbraw/zinc/74/39/89/476743989.db2.gz ZLMQCDZBYLXCID-YNEHKIRRSA-N 1 3 326.282 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000365876289 476745337 /nfs/dbraw/zinc/74/53/37/476745337.db2.gz HVABSABAIMEFOQ-AERCQKQUSA-N 1 3 349.478 2.608 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000365876289 476745346 /nfs/dbraw/zinc/74/53/46/476745346.db2.gz HVABSABAIMEFOQ-AERCQKQUSA-N 1 3 349.478 2.608 20 0 EFADHO c1csc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422728163 476746326 /nfs/dbraw/zinc/74/63/26/476746326.db2.gz FLTRRDJLIIKSSB-FJIDUMEYSA-N 1 3 349.544 2.632 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422728406 476746730 /nfs/dbraw/zinc/74/67/30/476746730.db2.gz GFSMEMLUVYAZIG-MHTWAQMVSA-N 1 3 345.531 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365879502 476747410 /nfs/dbraw/zinc/74/74/10/476747410.db2.gz MBUOOTILKWDTDC-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365879502 476747415 /nfs/dbraw/zinc/74/74/15/476747415.db2.gz MBUOOTILKWDTDC-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422730473 476748251 /nfs/dbraw/zinc/74/82/51/476748251.db2.gz JTDUVJZNFTWMJP-IEBWSBKVSA-N 1 3 338.455 2.941 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728911 476748280 /nfs/dbraw/zinc/74/82/80/476748280.db2.gz JXPWPPZBIMSVGP-USXIJHARSA-N 1 3 341.421 2.997 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728911 476748287 /nfs/dbraw/zinc/74/82/87/476748287.db2.gz JXPWPPZBIMSVGP-USXIJHARSA-N 1 3 341.421 2.997 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422730885 476749374 /nfs/dbraw/zinc/74/93/74/476749374.db2.gz MPZLDBOMIUWBGO-RWMBFGLXSA-N 1 3 331.382 2.879 20 0 EFADHO CSc1nnc(CCC[NH2+][C@@H]2CCNCC[C@H]2C)n1CC(C)C ZINC000422733456 476750164 /nfs/dbraw/zinc/75/01/64/476750164.db2.gz RBOWMNYLSNEQEC-HUUCEWRRSA-N 1 3 339.553 2.566 20 0 EFADHO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)c1 ZINC000422733714 476750337 /nfs/dbraw/zinc/75/03/37/476750337.db2.gz RJJCSVPDYZLSSJ-VBKZILBWSA-N 1 3 342.487 2.811 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2sccc2C1 ZINC000422739982 476754331 /nfs/dbraw/zinc/75/43/31/476754331.db2.gz MMZSLJBMEHXYKM-QAPCUYQASA-N 1 3 329.513 2.654 20 0 EFADHO CN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000365893324 476755126 /nfs/dbraw/zinc/75/51/26/476755126.db2.gz XPWCOJOOUGHJKT-UXHICEINSA-N 1 3 337.467 2.923 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422737960 476755168 /nfs/dbraw/zinc/75/51/68/476755168.db2.gz YCMAAKMAQSMEMA-RYGJVYDSSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1cccc(F)c1)N(C)C ZINC000422737960 476755176 /nfs/dbraw/zinc/75/51/76/476755176.db2.gz YCMAAKMAQSMEMA-RYGJVYDSSA-N 1 3 329.463 2.977 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN1CCc2sccc2C1 ZINC000422742988 476755779 /nfs/dbraw/zinc/75/57/79/476755779.db2.gz SRDSHJURHZPDAL-CYBMUJFWSA-N 1 3 330.501 2.619 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422749326 476758020 /nfs/dbraw/zinc/75/80/20/476758020.db2.gz YPPXOIIKZDOZCF-NEWSRXKRSA-N 1 3 331.504 2.939 20 0 EFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422755053 476761023 /nfs/dbraw/zinc/76/10/23/476761023.db2.gz FHQJCIXUKDYHFR-LPHOPBHVSA-N 1 3 329.488 2.517 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422756482 476762223 /nfs/dbraw/zinc/76/22/23/476762223.db2.gz IXIURXORVUSYDT-RLLQIKCJSA-N 1 3 331.504 2.939 20 0 EFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422762438 476764793 /nfs/dbraw/zinc/76/47/93/476764793.db2.gz NQAQIBJTYGSQRU-OJAHFUOMSA-N 1 3 334.479 2.877 20 0 EFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422762435 476764806 /nfs/dbraw/zinc/76/48/06/476764806.db2.gz NQAQIBJTYGSQRU-IJXRJRJASA-N 1 3 334.479 2.877 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@H](C)N)CC2)n1 ZINC000422765284 476765663 /nfs/dbraw/zinc/76/56/63/476765663.db2.gz QSAULCPLNFMLLW-PXNSSMCTSA-N 1 3 338.499 2.907 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])CC2)n1 ZINC000422765284 476765669 /nfs/dbraw/zinc/76/56/69/476765669.db2.gz QSAULCPLNFMLLW-PXNSSMCTSA-N 1 3 338.499 2.907 20 0 EFADHO COc1ccc(OC)c(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422772135 476769291 /nfs/dbraw/zinc/76/92/91/476769291.db2.gz YVHYUTUHZGVYDF-KXBFYZLASA-N 1 3 328.456 2.794 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000422772475 476769753 /nfs/dbraw/zinc/76/97/53/476769753.db2.gz YRYYQWRHEMRGIP-ZAAXVRCTSA-N 1 3 330.447 2.525 20 0 EFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC)c1 ZINC000422776558 476771348 /nfs/dbraw/zinc/77/13/48/476771348.db2.gz CZGWNHJXDYMOID-BEFAXECRSA-N 1 3 328.456 2.794 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000387431103 476771396 /nfs/dbraw/zinc/77/13/96/476771396.db2.gz QDNVCGNAGJIIAH-CQSZACIVSA-N 1 3 347.286 2.807 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000387435712 476771459 /nfs/dbraw/zinc/77/14/59/476771459.db2.gz RECSYYZVSIDTFB-AWEZNQCLSA-N 1 3 347.286 2.807 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000387493220 476771939 /nfs/dbraw/zinc/77/19/39/476771939.db2.gz ZTIYGBDZCLBZCQ-ZJIFWQFVSA-N 1 3 327.513 2.950 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000387493220 476771947 /nfs/dbraw/zinc/77/19/47/476771947.db2.gz ZTIYGBDZCLBZCQ-ZJIFWQFVSA-N 1 3 327.513 2.950 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1csc(-c2ccccc2)n1 ZINC000422782686 476772231 /nfs/dbraw/zinc/77/22/31/476772231.db2.gz KAAXLVBQFVNEOG-RRQGHBQHSA-N 1 3 331.485 2.695 20 0 EFADHO Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(CN)nc3C)CC2)nc1 ZINC000422786355 476773996 /nfs/dbraw/zinc/77/39/96/476773996.db2.gz QGDBXTZHGSDROP-HNNXBMFYSA-N 1 3 339.487 2.872 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(=O)N(C)C)c1 ZINC000422785348 476774794 /nfs/dbraw/zinc/77/47/94/476774794.db2.gz QWVRZLHANSKCHL-VQIMIIECSA-N 1 3 331.504 2.831 20 0 EFADHO C[C@H](OCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786990 476775247 /nfs/dbraw/zinc/77/52/47/476775247.db2.gz POZLNJVYCHSOBV-FRYIKTPZSA-N 1 3 332.488 2.901 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000422788780 476776049 /nfs/dbraw/zinc/77/60/49/476776049.db2.gz RMMUGEWIKHLWGZ-HOTGVXAUSA-N 1 3 348.487 2.976 20 0 EFADHO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422793196 476777471 /nfs/dbraw/zinc/77/74/71/476777471.db2.gz RZUFZWQMKWETBG-UONOGXRCSA-N 1 3 329.444 2.975 20 0 EFADHO CCN(CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792265 476777705 /nfs/dbraw/zinc/77/77/05/476777705.db2.gz VYKYCUVYDWKLLV-XUVXKRRUSA-N 1 3 331.504 2.650 20 0 EFADHO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422793194 476778567 /nfs/dbraw/zinc/77/85/67/476778567.db2.gz RZUFZWQMKWETBG-KBPBESRZSA-N 1 3 329.444 2.975 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422806161 476785019 /nfs/dbraw/zinc/78/50/19/476785019.db2.gz KIYBSXUCDXMOIT-NHCUHLMSSA-N 1 3 344.547 2.757 20 0 EFADHO Cc1cccc(N2CCN(CCCN[C@@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000422806161 476785024 /nfs/dbraw/zinc/78/50/24/476785024.db2.gz KIYBSXUCDXMOIT-NHCUHLMSSA-N 1 3 344.547 2.757 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cc2)C[C@H](C)O1 ZINC000422804791 476785722 /nfs/dbraw/zinc/78/57/22/476785722.db2.gz FQYOKGNYVXRTIM-DCXXXQMHSA-N 1 3 345.531 2.774 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389869843 476787513 /nfs/dbraw/zinc/78/75/13/476787513.db2.gz IXWMSYFWXSRABB-JQHSSLGASA-N 1 3 331.504 2.647 20 0 EFADHO C(=C/C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375338256 476788300 /nfs/dbraw/zinc/78/83/00/476788300.db2.gz QLQGZSVQGHXGRX-IYJQCHCFSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C/C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375338256 476788303 /nfs/dbraw/zinc/78/83/03/476788303.db2.gz QLQGZSVQGHXGRX-IYJQCHCFSA-N 1 3 334.504 2.829 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000389989582 476789059 /nfs/dbraw/zinc/78/90/59/476789059.db2.gz NUGHJXHEAWCLCD-MNIJEXPFSA-N 1 3 341.499 2.544 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H](C)O1 ZINC000422814010 476791035 /nfs/dbraw/zinc/79/10/35/476791035.db2.gz SWJSMAMAWMNODD-HQKNPNQUSA-N 1 3 343.515 2.668 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422817436 476791216 /nfs/dbraw/zinc/79/12/16/476791216.db2.gz CYQMFMXSUCNGEJ-RTBURBONSA-N 1 3 325.456 2.861 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422818874 476792400 /nfs/dbraw/zinc/79/24/00/476792400.db2.gz HHDHGYSBLYTOSY-JSGCOSHPSA-N 1 3 339.867 2.784 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422818874 476792405 /nfs/dbraw/zinc/79/24/05/476792405.db2.gz HHDHGYSBLYTOSY-JSGCOSHPSA-N 1 3 339.867 2.784 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCOCC1 ZINC000422820763 476793779 /nfs/dbraw/zinc/79/37/79/476793779.db2.gz SDOIUXPVPNFQTJ-YWZLYKJASA-N 1 3 348.535 2.636 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422819115 476794471 /nfs/dbraw/zinc/79/44/71/476794471.db2.gz MJFHPRXDPBKYPN-UZLBHIALSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCN(C)Cc1ccc(F)cc1 ZINC000422819115 476794477 /nfs/dbraw/zinc/79/44/77/476794477.db2.gz MJFHPRXDPBKYPN-UZLBHIALSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(Cn2ccnc2)c1 ZINC000422826719 476796888 /nfs/dbraw/zinc/79/68/88/476796888.db2.gz LYHPCOATEKHILW-DYESRHJHSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422826719 476796896 /nfs/dbraw/zinc/79/68/96/476796896.db2.gz LYHPCOATEKHILW-DYESRHJHSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422827175 476797579 /nfs/dbraw/zinc/79/75/79/476797579.db2.gz RSACENOZQGUTAB-VBNZEHGJSA-N 1 3 346.393 2.607 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390775636 476799537 /nfs/dbraw/zinc/79/95/37/476799537.db2.gz MSACTLHNRZDTDT-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390775638 476799819 /nfs/dbraw/zinc/79/98/19/476799819.db2.gz MSACTLHNRZDTDT-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)N)CC1)c1ccccc1 ZINC000422844320 476806026 /nfs/dbraw/zinc/80/60/26/476806026.db2.gz LNBMBBQBAVXMOZ-BXWFABGCSA-N 1 3 331.504 2.887 20 0 EFADHO COc1cc2[nH]c(CCCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2c(OC)c1 ZINC000422859991 476815531 /nfs/dbraw/zinc/81/55/31/476815531.db2.gz HTIZZJQWYSCQKU-XYPWUTKMSA-N 1 3 343.471 2.990 20 0 EFADHO CC1CCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422870804 476820742 /nfs/dbraw/zinc/82/07/42/476820742.db2.gz ZEAULNXMSNDMEE-UYAOXDASSA-N 1 3 329.488 2.564 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1=CCN(C)CC1 ZINC000392199565 476822833 /nfs/dbraw/zinc/82/28/33/476822833.db2.gz HMVOZWSRWLTREE-INIZCTEOSA-N 1 3 325.497 2.635 20 0 EFADHO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000392207460 476823061 /nfs/dbraw/zinc/82/30/61/476823061.db2.gz NOSDFGMETSCSQX-OAHLLOKOSA-N 1 3 325.497 2.921 20 0 EFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])co2)cc1 ZINC000422878541 476824988 /nfs/dbraw/zinc/82/49/88/476824988.db2.gz KEWUEFOJWHHCSK-FHLIZLRMSA-N 1 3 329.444 2.534 20 0 EFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])co2)cc1 ZINC000422878542 476825008 /nfs/dbraw/zinc/82/50/08/476825008.db2.gz KEWUEFOJWHHCSK-JCGIZDLHSA-N 1 3 329.444 2.534 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(F)c(Cl)c2)CC[NH2+]CC1 ZINC000422880017 476825561 /nfs/dbraw/zinc/82/55/61/476825561.db2.gz NBHRRQJSYWWIIZ-GFCCVEGCSA-N 1 3 342.842 2.890 20 0 EFADHO CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN(Cc2ccccc2)CC1 ZINC000422881298 476825944 /nfs/dbraw/zinc/82/59/44/476825944.db2.gz PVOFVVAKIXJTEF-MOPGFXCFSA-N 1 3 341.499 2.642 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCCC[NH2+]3)c(C)c2)CC1 ZINC000392607385 476827885 /nfs/dbraw/zinc/82/78/85/476827885.db2.gz HPJHJVRHCBHWAM-LJQANCHMSA-N 1 3 344.503 2.608 20 0 EFADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000422887659 476828846 /nfs/dbraw/zinc/82/88/46/476828846.db2.gz LFNBMAVKORAHHM-SPYJTGKRSA-N 1 3 343.515 2.539 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422900009 476834905 /nfs/dbraw/zinc/83/49/05/476834905.db2.gz PQRNKHFTRNVVKQ-VAMGGRTRSA-N 1 3 331.504 2.637 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422899322 476835917 /nfs/dbraw/zinc/83/59/17/476835917.db2.gz OJJZAJSXWRKOHT-WOJBJXKFSA-N 1 3 325.456 2.861 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422898393 476836073 /nfs/dbraw/zinc/83/60/73/476836073.db2.gz FAABTOYUNGKERY-SCRDCRAPSA-N 1 3 347.286 2.840 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000422898393 476836077 /nfs/dbraw/zinc/83/60/77/476836077.db2.gz FAABTOYUNGKERY-SCRDCRAPSA-N 1 3 347.286 2.840 20 0 EFADHO C(CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422900786 476837852 /nfs/dbraw/zinc/83/78/52/476837852.db2.gz ATYFPFNJZKIWMK-ARFHVFGLSA-N 1 3 349.544 2.701 20 0 EFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1 ZINC000422918744 476844368 /nfs/dbraw/zinc/84/43/68/476844368.db2.gz INUSUMBOBXTZBV-BRWVUGGUSA-N 1 3 333.476 2.608 20 0 EFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422918744 476844376 /nfs/dbraw/zinc/84/43/76/476844376.db2.gz INUSUMBOBXTZBV-BRWVUGGUSA-N 1 3 333.476 2.608 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422915972 476844695 /nfs/dbraw/zinc/84/46/95/476844695.db2.gz CCUQSMFPPXBQKE-ICSRJNTNSA-N 1 3 330.520 2.754 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917643 476845124 /nfs/dbraw/zinc/84/51/24/476845124.db2.gz FJIHUPZOLVSDQG-BTHPGYMESA-N 1 3 332.488 2.899 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422921196 476847350 /nfs/dbraw/zinc/84/73/50/476847350.db2.gz NQSRFMKMTSGMTI-YLJYHZDGSA-N 1 3 330.520 2.767 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000422923627 476849169 /nfs/dbraw/zinc/84/91/69/476849169.db2.gz SDCGQFFXNWHOJW-PMACEKPBSA-N 1 3 330.520 2.896 20 0 EFADHO c1cc2c(cc1CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000422931075 476850015 /nfs/dbraw/zinc/85/00/15/476850015.db2.gz WXBYAIXPLILHOB-KSZLIROESA-N 1 3 330.472 2.901 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422931604 476851817 /nfs/dbraw/zinc/85/18/17/476851817.db2.gz XYCXCFOEZJOMHS-VAMGGRTRSA-N 1 3 348.487 2.983 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000422938212 476855934 /nfs/dbraw/zinc/85/59/34/476855934.db2.gz GXUMYAFTUJNALD-HLIPFELVSA-N 1 3 331.504 2.528 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414058330 476856644 /nfs/dbraw/zinc/85/66/44/476856644.db2.gz HBGGGKYAUMKJAT-SJORKVTESA-N 1 3 325.541 2.586 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1cccc(Br)c1 ZINC000422941534 476857512 /nfs/dbraw/zinc/85/75/12/476857512.db2.gz JKMUIBPZOSFLJT-IUODEOHRSA-N 1 3 327.266 2.806 20 0 EFADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422941379 476857726 /nfs/dbraw/zinc/85/77/26/476857726.db2.gz HXHOOMMQEAXRMG-IPMKNSEASA-N 1 3 331.460 2.534 20 0 EFADHO C[C@H](COCC(F)(F)F)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422944671 476858580 /nfs/dbraw/zinc/85/85/80/476858580.db2.gz LWBALAPHAJHLIT-XPKDYRNWSA-N 1 3 344.377 2.799 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414060266 476859028 /nfs/dbraw/zinc/85/90/28/476859028.db2.gz JITRCMKDCSJUQN-MSOLQXFVSA-N 1 3 339.568 2.976 20 0 EFADHO CN(CCC(=O)Nc1ccccc1Br)CC(C)(C)C[NH3+] ZINC000430559870 476860184 /nfs/dbraw/zinc/86/01/84/476860184.db2.gz FMSRFOBCKQWMBR-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@H+](CCC(=O)Nc1ccccc1Br)CC(C)(C)CN ZINC000430559870 476860193 /nfs/dbraw/zinc/86/01/93/476860193.db2.gz FMSRFOBCKQWMBR-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@@H+](CCC(=O)Nc1ccccc1Br)CC(C)(C)CN ZINC000430559870 476860203 /nfs/dbraw/zinc/86/02/03/476860203.db2.gz FMSRFOBCKQWMBR-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000414068170 476861766 /nfs/dbraw/zinc/86/17/66/476861766.db2.gz AUOPQNLMZNPFKB-GVDBMIGSSA-N 1 3 335.492 2.500 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422951813 476862584 /nfs/dbraw/zinc/86/25/84/476862584.db2.gz AFQJMJALPTZQQO-QRVBRYPASA-N 1 3 341.499 2.866 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000430570500 476863791 /nfs/dbraw/zinc/86/37/91/476863791.db2.gz KLHYNGPNFGIIOM-MOPGFXCFSA-N 1 3 331.504 2.876 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)c1cccs1 ZINC000422953826 476864008 /nfs/dbraw/zinc/86/40/08/476864008.db2.gz GPSVXSXAGZIKGH-ARFHVFGLSA-N 1 3 335.517 2.768 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000422953826 476864013 /nfs/dbraw/zinc/86/40/13/476864013.db2.gz GPSVXSXAGZIKGH-ARFHVFGLSA-N 1 3 335.517 2.768 20 0 EFADHO Cc1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422956088 476864222 /nfs/dbraw/zinc/86/42/22/476864222.db2.gz KNDIKQZXXQYXOT-KCPJHIHWSA-N 1 3 327.266 2.599 20 0 EFADHO Cc1cc(Br)ccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422956087 476864645 /nfs/dbraw/zinc/86/46/45/476864645.db2.gz KNDIKQZXXQYXOT-BYCMXARLSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000398101568 476867962 /nfs/dbraw/zinc/86/79/62/476867962.db2.gz ZJCPWPJBHMGXQX-NEWSRXKRSA-N 1 3 329.488 2.545 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)c1ccc(F)cc1 ZINC000422960328 476868298 /nfs/dbraw/zinc/86/82/98/476868298.db2.gz VVCAYPNAMJOKNL-GUDVDZBRSA-N 1 3 347.478 2.846 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422960328 476868310 /nfs/dbraw/zinc/86/83/10/476868310.db2.gz VVCAYPNAMJOKNL-GUDVDZBRSA-N 1 3 347.478 2.846 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000398175853 476869269 /nfs/dbraw/zinc/86/92/69/476869269.db2.gz VTMTWAYYVQRMDW-YSHGAJCASA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000398101575 476869285 /nfs/dbraw/zinc/86/92/85/476869285.db2.gz ZJCPWPJBHMGXQX-QRQLOZEOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422965232 476869960 /nfs/dbraw/zinc/86/99/60/476869960.db2.gz OAWNJSZSLBMIOV-WFASDCNBSA-N 1 3 326.282 2.839 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000398183834 476870383 /nfs/dbraw/zinc/87/03/83/476870383.db2.gz XTBLIBFCBUDVTI-GGPKGHCWSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422966738 476870706 /nfs/dbraw/zinc/87/07/06/476870706.db2.gz ALZHOHJHIVDEDS-DNVCBOLYSA-N 1 3 325.456 2.919 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422967312 476870827 /nfs/dbraw/zinc/87/08/27/476870827.db2.gz SOWHDWMWCRRULN-GFOJFJKKSA-N 1 3 345.531 2.522 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]CCSCc3ccccc3)C2)CC1 ZINC000370562771 476872195 /nfs/dbraw/zinc/87/21/95/476872195.db2.gz ZDOZYCNRIKLUQM-SFHVURJKSA-N 1 3 333.545 2.678 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000430592139 476873294 /nfs/dbraw/zinc/87/32/94/476873294.db2.gz CEWFQVXZINSCHP-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO [NH3+]CCCOC1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000430595690 476874805 /nfs/dbraw/zinc/87/48/05/476874805.db2.gz YHAMCKXLFVHVIG-UHFFFAOYSA-N 1 3 346.393 2.914 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccs1 ZINC000414196274 476875649 /nfs/dbraw/zinc/87/56/49/476875649.db2.gz ONBPRKQJKVIJSV-INIZCTEOSA-N 1 3 337.533 2.585 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCO[C@H]1CCCc2ccccc21 ZINC000422980145 476878365 /nfs/dbraw/zinc/87/83/65/476878365.db2.gz LBLDXXXVFZOVHH-KNTRFNDTSA-N 1 3 332.488 2.813 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007597 476878570 /nfs/dbraw/zinc/87/85/70/476878570.db2.gz ZWQXTZSMEAOBHC-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007597 476878576 /nfs/dbraw/zinc/87/85/76/476878576.db2.gz ZWQXTZSMEAOBHC-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007597 476878583 /nfs/dbraw/zinc/87/85/83/476878583.db2.gz ZWQXTZSMEAOBHC-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000457110060 476881265 /nfs/dbraw/zinc/88/12/65/476881265.db2.gz HMJUUZOHPUDKTJ-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO Fc1ccc(CC2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422989430 476881442 /nfs/dbraw/zinc/88/14/42/476881442.db2.gz LTXMWZMEURCMJZ-IPMKNSEASA-N 1 3 332.463 2.895 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000457112402 476882026 /nfs/dbraw/zinc/88/20/26/476882026.db2.gz JIRIABACBGQBQS-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000457112402 476882035 /nfs/dbraw/zinc/88/20/35/476882035.db2.gz JIRIABACBGQBQS-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457112402 476882042 /nfs/dbraw/zinc/88/20/42/476882042.db2.gz JIRIABACBGQBQS-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1CCC(C[NH3+])CC1 ZINC000430620193 476882161 /nfs/dbraw/zinc/88/21/61/476882161.db2.gz HMKZVRKCSZCMQF-UHFFFAOYSA-N 1 3 335.467 2.624 20 0 EFADHO COc1cc(NCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422997771 476884384 /nfs/dbraw/zinc/88/43/84/476884384.db2.gz BWTOHMBLHDNTRS-GUDVDZBRSA-N 1 3 333.476 2.626 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000446569015 476887334 /nfs/dbraw/zinc/88/73/34/476887334.db2.gz IXWWRKQGXMLMJL-SFHVURJKSA-N 1 3 346.519 2.635 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC000414679135 476888049 /nfs/dbraw/zinc/88/80/49/476888049.db2.gz LDVGFHXBYLIQEO-HXUWFJFHSA-N 1 3 343.515 2.529 20 0 EFADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423010544 476889987 /nfs/dbraw/zinc/88/99/87/476889987.db2.gz GVOLWEQUMVBJPS-BFHYXJOUSA-N 1 3 343.393 2.990 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](CC)c2c(C)noc2C)CC[NH2+]CC1 ZINC000423018778 476893023 /nfs/dbraw/zinc/89/30/23/476893023.db2.gz ZSOXIPFRYQHNCA-CABCVRRESA-N 1 3 337.464 2.654 20 0 EFADHO [NH3+][C@@H]1C[C@@H](NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc21 ZINC000423018577 476893315 /nfs/dbraw/zinc/89/33/15/476893315.db2.gz ZHNKLBVPBZYPBS-NSISKUIASA-N 1 3 335.451 2.770 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423023523 476894375 /nfs/dbraw/zinc/89/43/75/476894375.db2.gz JVLDONVBLSSOQZ-GHJWDPDVSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423023523 476894380 /nfs/dbraw/zinc/89/43/80/476894380.db2.gz JVLDONVBLSSOQZ-GHJWDPDVSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423028676 476896440 /nfs/dbraw/zinc/89/64/40/476896440.db2.gz TVDVSJCARGQPSB-NHYWBVRUSA-N 1 3 327.831 2.692 20 0 EFADHO CC(C)(C)NCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401099186 476897437 /nfs/dbraw/zinc/89/74/37/476897437.db2.gz FPPUXGXSFWSYCH-HRCADAONSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H](CCO)c1ccccc1Br ZINC000423032386 476898526 /nfs/dbraw/zinc/89/85/26/476898526.db2.gz MIOFCQDLYIOLJR-WFASDCNBSA-N 1 3 329.282 2.980 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000423033053 476899396 /nfs/dbraw/zinc/89/93/96/476899396.db2.gz WLSCPGIVMCTCGZ-PEYYIBSZSA-N 1 3 347.286 2.852 20 0 EFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CCCN1 ZINC000414953803 476900485 /nfs/dbraw/zinc/90/04/85/476900485.db2.gz KCTZCUKYXSLKFZ-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423038937 476900526 /nfs/dbraw/zinc/90/05/26/476900526.db2.gz DORSPKROTUZION-XHDPSFHLSA-N 1 3 327.831 2.692 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423046551 476903987 /nfs/dbraw/zinc/90/39/87/476903987.db2.gz DUJQPABUNFLESW-OCCSQVGLSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423046551 476903995 /nfs/dbraw/zinc/90/39/95/476903995.db2.gz DUJQPABUNFLESW-OCCSQVGLSA-N 1 3 331.382 2.543 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])OC(C)C ZINC000423048121 476905698 /nfs/dbraw/zinc/90/56/98/476905698.db2.gz HRQAONSPEWKEAI-RMRDIRSESA-N 1 3 336.476 2.503 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])OC(C)C ZINC000423048120 476905786 /nfs/dbraw/zinc/90/57/86/476905786.db2.gz HRQAONSPEWKEAI-MYZZLAAOSA-N 1 3 336.476 2.503 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)cc1 ZINC000370636528 476907279 /nfs/dbraw/zinc/90/72/79/476907279.db2.gz RPVOZXMUDKYCDE-XLIONFOSSA-N 1 3 331.504 2.904 20 0 EFADHO [NH3+][C@@H]1C[C@H](NCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000423058963 476909366 /nfs/dbraw/zinc/90/93/66/476909366.db2.gz DNGXLFKTQNLSBV-CVEARBPZSA-N 1 3 327.394 2.995 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067957 476912769 /nfs/dbraw/zinc/91/27/69/476912769.db2.gz IXHBMYYAAXYLMT-MFKMUULPSA-N 1 3 330.259 2.816 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000430758575 476913190 /nfs/dbraw/zinc/91/31/90/476913190.db2.gz CRPSAYFDRNJPGM-MOPGFXCFSA-N 1 3 343.515 2.718 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000430758995 476913560 /nfs/dbraw/zinc/91/35/60/476913560.db2.gz WHDMDWRGFJCBHB-ROUUACIJSA-N 1 3 333.476 2.863 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@H]1CCCCN1C1CC1 ZINC000423069198 476914860 /nfs/dbraw/zinc/91/48/60/476914860.db2.gz AOYQMTCFMJRKHW-SLYNCCJLSA-N 1 3 341.499 2.849 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000423072773 476916074 /nfs/dbraw/zinc/91/60/74/476916074.db2.gz JURWAKKZPLCDOR-QRWLVFNGSA-N 1 3 327.472 2.741 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423077295 476919300 /nfs/dbraw/zinc/91/93/00/476919300.db2.gz SVTXZHKJCOMCMP-FHWLQOOXSA-N 1 3 333.545 2.711 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423077295 476919306 /nfs/dbraw/zinc/91/93/06/476919306.db2.gz SVTXZHKJCOMCMP-FHWLQOOXSA-N 1 3 333.545 2.711 20 0 EFADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CCC[C@H]3N)c2)n1 ZINC000423080154 476920220 /nfs/dbraw/zinc/92/02/20/476920220.db2.gz RVWLVCPKTCCGHO-KGLIPLIRSA-N 1 3 331.441 2.566 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CC34CCCCC4)CC2)CC1 ZINC000366241571 476920339 /nfs/dbraw/zinc/92/03/39/476920339.db2.gz YYXMKOMSNJPGBR-SFHVURJKSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000423089694 476924229 /nfs/dbraw/zinc/92/42/29/476924229.db2.gz SVZQFPXVAKBEFJ-GUDVDZBRSA-N 1 3 332.488 2.819 20 0 EFADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1)N1CCCC1 ZINC000423092960 476925953 /nfs/dbraw/zinc/92/59/53/476925953.db2.gz FBIPNSNEEIXHCC-HVMFNXBNSA-N 1 3 333.520 2.678 20 0 EFADHO C(CN1CCC2(CCCCC2)CC1)N[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423096127 476926175 /nfs/dbraw/zinc/92/61/75/476926175.db2.gz GXHGTCWVYLWSMG-XUVXKRRUSA-N 1 3 349.563 2.779 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000423099997 476927677 /nfs/dbraw/zinc/92/76/77/476927677.db2.gz GCPPWIVPGGHSKE-HOJAQTOUSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000423100850 476928178 /nfs/dbraw/zinc/92/81/78/476928178.db2.gz HTMXHLCEXAJBAX-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260084 476928812 /nfs/dbraw/zinc/92/88/12/476928812.db2.gz PWSVYGBFJZWLRY-QXAKKESOSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260084 476928816 /nfs/dbraw/zinc/92/88/16/476928816.db2.gz PWSVYGBFJZWLRY-QXAKKESOSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCN1Cc1ccccc1 ZINC000407425165 476932499 /nfs/dbraw/zinc/93/24/99/476932499.db2.gz JZDITUDQXZKTBY-GEALJGNFSA-N 1 3 341.499 2.686 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415569389 476938362 /nfs/dbraw/zinc/93/83/62/476938362.db2.gz LICKGHNHPAZQIQ-WKILWMFISA-N 1 3 332.492 2.677 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130251 476939195 /nfs/dbraw/zinc/93/91/95/476939195.db2.gz GKBZPEAPENFJEW-VAMGGRTRSA-N 1 3 329.488 2.534 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415570460 476939638 /nfs/dbraw/zinc/93/96/38/476939638.db2.gz MBEFKAYOSVGGAJ-ROUUACIJSA-N 1 3 344.503 2.644 20 0 EFADHO C[C@@H]([NH3+])C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000430933068 476941275 /nfs/dbraw/zinc/94/12/75/476941275.db2.gz JCFBBAOTQMMASP-MRXNPFEDSA-N 1 3 329.488 2.872 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370703390 476942125 /nfs/dbraw/zinc/94/21/25/476942125.db2.gz ZVBYZFKRMVVMCI-MMHSPLKYSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000370703390 476942131 /nfs/dbraw/zinc/94/21/31/476942131.db2.gz ZVBYZFKRMVVMCI-MMHSPLKYSA-N 1 3 331.479 2.797 20 0 EFADHO CC(C)CCN(CCC(C)C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430940697 476944698 /nfs/dbraw/zinc/94/46/98/476944698.db2.gz QLEQZKRTTBHEEC-KRWDZBQOSA-N 1 3 325.541 2.966 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000430955240 476949154 /nfs/dbraw/zinc/94/91/54/476949154.db2.gz LNJDBWBLFFTGAT-IRXDYDNUSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000430955239 476949472 /nfs/dbraw/zinc/94/94/72/476949472.db2.gz LNJDBWBLFFTGAT-IAGOWNOFSA-N 1 3 343.515 2.873 20 0 EFADHO [NH3+]C[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430964031 476952600 /nfs/dbraw/zinc/95/26/00/476952600.db2.gz XGMAJAPVXFBXIC-HNAYVOBHSA-N 1 3 343.496 2.624 20 0 EFADHO Cc1ccc(C[C@H](CO)CN[C@H](C)C[C@H](C)[NH3+])cc1Br ZINC000423168520 476952743 /nfs/dbraw/zinc/95/27/43/476952743.db2.gz YGDXEICGYKQCHG-GUTXKFCHSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)C[C@H](C)N)cc1Br ZINC000423168520 476952753 /nfs/dbraw/zinc/95/27/53/476952753.db2.gz YGDXEICGYKQCHG-GUTXKFCHSA-N 1 3 343.309 2.624 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966808 476952820 /nfs/dbraw/zinc/95/28/20/476952820.db2.gz QBMDCPULKQRTNQ-HZSPNIEDSA-N 1 3 337.895 2.965 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000423176328 476953490 /nfs/dbraw/zinc/95/34/90/476953490.db2.gz GSXYMBRGKJEBRZ-ZDUSSCGKSA-N 1 3 331.382 2.531 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]Cc3c(C)cnn3C)CC2)cc1 ZINC000375689218 476954855 /nfs/dbraw/zinc/95/48/55/476954855.db2.gz MIAKWWHISGUVRA-UHFFFAOYSA-N 1 3 342.487 2.739 20 0 EFADHO CC[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000423183407 476957122 /nfs/dbraw/zinc/95/71/22/476957122.db2.gz RREXIFKXRFLZCL-INIZCTEOSA-N 1 3 340.309 2.785 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423191803 476958509 /nfs/dbraw/zinc/95/85/09/476958509.db2.gz UBVSVTWFKTURGE-GOSISDBHSA-N 1 3 341.455 2.856 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415891435 476960007 /nfs/dbraw/zinc/96/00/07/476960007.db2.gz GFWDRYAUOUHDDI-AWEZNQCLSA-N 1 3 330.476 2.526 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000431017295 476960491 /nfs/dbraw/zinc/96/04/91/476960491.db2.gz PHVFKPQAFHXPRW-GJZGRUSLSA-N 1 3 349.906 2.981 20 0 EFADHO Clc1ccc([C@@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199018 476960503 /nfs/dbraw/zinc/96/05/03/476960503.db2.gz AEAHGNDDPUPXJJ-IBGZPJMESA-N 1 3 329.875 2.924 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000423195916 476960926 /nfs/dbraw/zinc/96/09/26/476960926.db2.gz YMHIMCRGHBESHJ-KCITZHQASA-N 1 3 334.508 2.881 20 0 EFADHO CC(C)Oc1ccc([C@@H](C)NCCN2CC[NH2+]CC2)cc1Cl ZINC000423199229 476962399 /nfs/dbraw/zinc/96/23/99/476962399.db2.gz AYLYWIQNUBPDCX-CQSZACIVSA-N 1 3 325.884 2.683 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431029567 476963065 /nfs/dbraw/zinc/96/30/65/476963065.db2.gz FGTDSJZWROMKER-OAHLLOKOSA-N 1 3 349.906 2.935 20 0 EFADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423211490 476964899 /nfs/dbraw/zinc/96/48/99/476964899.db2.gz YJYQCIHJGHESGT-AWEZNQCLSA-N 1 3 349.425 2.997 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431036829 476964955 /nfs/dbraw/zinc/96/49/55/476964955.db2.gz YMYRZFLQDXIEES-MRXNPFEDSA-N 1 3 329.488 2.502 20 0 EFADHO Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423210166 476965219 /nfs/dbraw/zinc/96/52/19/476965219.db2.gz WATRZMRYRSILDJ-HNNXBMFYSA-N 1 3 344.528 2.598 20 0 EFADHO CNCc1ccccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000415915569 476967578 /nfs/dbraw/zinc/96/75/78/476967578.db2.gz ZHKFXLOWLKRWAT-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370764056 476973029 /nfs/dbraw/zinc/97/30/29/476973029.db2.gz UOEXFUPXRKGBGJ-WIYYLYMNSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370764056 476973035 /nfs/dbraw/zinc/97/30/35/476973035.db2.gz UOEXFUPXRKGBGJ-WIYYLYMNSA-N 1 3 343.515 2.875 20 0 EFADHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000423256316 476977299 /nfs/dbraw/zinc/97/72/99/476977299.db2.gz DYYYVNIGPFIFED-RDJZCZTQSA-N 1 3 327.476 2.924 20 0 EFADHO CC[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423262966 476979435 /nfs/dbraw/zinc/97/94/35/476979435.db2.gz ACNQNXDZRXNFNG-NJAFHUGGSA-N 1 3 347.503 2.712 20 0 EFADHO CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423274759 476980300 /nfs/dbraw/zinc/98/03/00/476980300.db2.gz MJFWMJNYJBYYJH-GWCFXTLKSA-N 1 3 332.229 2.925 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000423271825 476980757 /nfs/dbraw/zinc/98/07/57/476980757.db2.gz YFQIUXYHSWFNNN-RHSMWYFYSA-N 1 3 333.476 2.910 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415990344 476981022 /nfs/dbraw/zinc/98/10/22/476981022.db2.gz NIGKIMLEKIBGJY-UHFFFAOYSA-N 1 3 346.475 2.508 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423280924 476982113 /nfs/dbraw/zinc/98/21/13/476982113.db2.gz TYENSEOYFDOVBV-LXZKKBNFSA-N 1 3 339.505 2.616 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423301588 476986867 /nfs/dbraw/zinc/98/68/67/476986867.db2.gz HVTSXPDVOPJRAH-GOSISDBHSA-N 1 3 331.504 2.949 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000423311831 476990653 /nfs/dbraw/zinc/99/06/53/476990653.db2.gz UKRKBTKRNGDWCB-GOEBONIOSA-N 1 3 335.517 2.779 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423317369 476991529 /nfs/dbraw/zinc/99/15/29/476991529.db2.gz ATTZBUOJOBXSBP-VQIMIIECSA-N 1 3 331.504 2.695 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423321001 476993795 /nfs/dbraw/zinc/99/37/95/476993795.db2.gz GZVORPJPZLVCCH-JXXFODFXSA-N 1 3 343.515 2.908 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H](C)CCN3)cc2)CC1 ZINC000423321179 476994124 /nfs/dbraw/zinc/99/41/24/476994124.db2.gz DZCGTMFBGHRDPB-PXNSSMCTSA-N 1 3 343.515 2.923 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447441639 476994252 /nfs/dbraw/zinc/99/42/52/476994252.db2.gz QKCGZPBBBYRKOP-MOPGFXCFSA-N 1 3 325.456 2.830 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000423325885 476996550 /nfs/dbraw/zinc/99/65/50/476996550.db2.gz CDCJIVRRIAZJAN-RTBURBONSA-N 1 3 327.476 2.697 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000423333703 476997908 /nfs/dbraw/zinc/99/79/08/476997908.db2.gz SCLLVBRLMJTCQN-GOSISDBHSA-N 1 3 331.504 2.923 20 0 EFADHO CC(C)(C(=O)NC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000423346540 477000803 /nfs/dbraw/zinc/00/08/03/477000803.db2.gz PYLGFXYWJSNSCH-SFHVURJKSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000423343412 477001489 /nfs/dbraw/zinc/00/14/89/477001489.db2.gz WGDTYPRBIOYTKR-CQSZACIVSA-N 1 3 327.428 2.899 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423342076 477001641 /nfs/dbraw/zinc/00/16/41/477001641.db2.gz UYGYSNPWNFHHSD-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423342076 477001646 /nfs/dbraw/zinc/00/16/46/477001646.db2.gz UYGYSNPWNFHHSD-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)N2CCCC2)cc1 ZINC000423354799 477002982 /nfs/dbraw/zinc/00/29/82/477002982.db2.gz HBBTXWAIYZTIBE-QRQLOZEOSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423359305 477004771 /nfs/dbraw/zinc/00/47/71/477004771.db2.gz OTXKCBLWSVNHFX-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2NCCCC2(C)C)C1 ZINC000423359305 477004775 /nfs/dbraw/zinc/00/47/75/477004775.db2.gz OTXKCBLWSVNHFX-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000423367060 477007212 /nfs/dbraw/zinc/00/72/12/477007212.db2.gz YLATXQCGQCITSY-NEWSRXKRSA-N 1 3 331.504 2.868 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380789 477011630 /nfs/dbraw/zinc/01/16/30/477011630.db2.gz OAHGVTNBNLRLPN-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380789 477011636 /nfs/dbraw/zinc/01/16/36/477011636.db2.gz OAHGVTNBNLRLPN-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO [NH3+][C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CCC1 ZINC000423385203 477012979 /nfs/dbraw/zinc/01/29/79/477012979.db2.gz KIJAFUKJHFWXIG-GOSISDBHSA-N 1 3 349.906 2.796 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423394709 477016128 /nfs/dbraw/zinc/01/61/28/477016128.db2.gz ZZIMHGRPUXNKRX-AEFFLSMTSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423394709 477016131 /nfs/dbraw/zinc/01/61/31/477016131.db2.gz ZZIMHGRPUXNKRX-AEFFLSMTSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399729 477016961 /nfs/dbraw/zinc/01/69/61/477016961.db2.gz UWHORTYYZRZZFU-IERDGZPVSA-N 1 3 336.483 2.685 20 0 EFADHO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399731 477017222 /nfs/dbraw/zinc/01/72/22/477017222.db2.gz UWHORTYYZRZZFU-KKSFZXQISA-N 1 3 336.483 2.685 20 0 EFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423401900 477018827 /nfs/dbraw/zinc/01/88/27/477018827.db2.gz XTZYRMOEWRNQBD-HOTGVXAUSA-N 1 3 345.409 2.572 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423401069 477019074 /nfs/dbraw/zinc/01/90/74/477019074.db2.gz GENXMVKNVGQVKV-SJLPKXTDSA-N 1 3 331.504 2.807 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423401069 477019077 /nfs/dbraw/zinc/01/90/77/477019077.db2.gz GENXMVKNVGQVKV-SJLPKXTDSA-N 1 3 331.504 2.807 20 0 EFADHO CSc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403208 477019629 /nfs/dbraw/zinc/01/96/29/477019629.db2.gz ZDDSOVAHPUZVJW-SWLSCSKDSA-N 1 3 347.450 2.895 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423403162 477019766 /nfs/dbraw/zinc/01/97/66/477019766.db2.gz YZHFZSJSGAZQEE-QRQLOZEOSA-N 1 3 330.520 2.660 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423403162 477019772 /nfs/dbraw/zinc/01/97/72/477019772.db2.gz YZHFZSJSGAZQEE-QRQLOZEOSA-N 1 3 330.520 2.660 20 0 EFADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423401920 477020185 /nfs/dbraw/zinc/02/01/85/477020185.db2.gz XUTIMOSFKNEDRA-CVEARBPZSA-N 1 3 345.384 2.629 20 0 EFADHO [NH3+]CC1(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000423403915 477020946 /nfs/dbraw/zinc/02/09/46/477020946.db2.gz XYFTYDYNXTUWKD-NRFANRHFSA-N 1 3 341.499 2.630 20 0 EFADHO COCC1(CN[C@@H](c2ccccc2)c2ccccn2)CC[NH2+]CC1 ZINC000423404518 477021763 /nfs/dbraw/zinc/02/17/63/477021763.db2.gz IVDBJSBYJAPNNR-IBGZPJMESA-N 1 3 325.456 2.777 20 0 EFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2c(c1)CNC2 ZINC000423406947 477021853 /nfs/dbraw/zinc/02/18/53/477021853.db2.gz ZMWFAWXZRMRLKT-FPOVZHCZSA-N 1 3 335.451 2.635 20 0 EFADHO Cc1nc(-c2cccnc2)sc1[C@H](C)NCCOCC[NH+](C)C ZINC000447601393 477022268 /nfs/dbraw/zinc/02/22/68/477022268.db2.gz PQHZMNSDDLXWGE-ZDUSSCGKSA-N 1 3 334.489 2.742 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccc1OCCN1CCCC1 ZINC000423415407 477026941 /nfs/dbraw/zinc/02/69/41/477026941.db2.gz OYHAAOXAZHGOLE-FUHWJXTLSA-N 1 3 345.487 2.796 20 0 EFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423437258 477033645 /nfs/dbraw/zinc/03/36/45/477033645.db2.gz UFCFHJIJDPTVLR-TUNNFDKTSA-N 1 3 349.478 2.719 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172388 477054071 /nfs/dbraw/zinc/05/40/71/477054071.db2.gz WFLGTLYILKEUQJ-ICSRJNTNSA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172388 477054074 /nfs/dbraw/zinc/05/40/74/477054074.db2.gz WFLGTLYILKEUQJ-ICSRJNTNSA-N 1 3 343.515 2.870 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536286 477067614 /nfs/dbraw/zinc/06/76/14/477067614.db2.gz ZIYVBJDQNSXURV-GUGJDKNPSA-N 1 3 335.495 2.852 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828991 477069197 /nfs/dbraw/zinc/06/91/97/477069197.db2.gz RKNBTEZDKUYSDO-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828991 477069200 /nfs/dbraw/zinc/06/92/00/477069200.db2.gz RKNBTEZDKUYSDO-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828991 477069204 /nfs/dbraw/zinc/06/92/04/477069204.db2.gz RKNBTEZDKUYSDO-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828991 477069208 /nfs/dbraw/zinc/06/92/08/477069208.db2.gz RKNBTEZDKUYSDO-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000431666273 477070163 /nfs/dbraw/zinc/07/01/63/477070163.db2.gz SHZNQLHECYEJHP-XSLAGTTESA-N 1 3 338.540 2.669 20 0 EFADHO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423548789 477070950 /nfs/dbraw/zinc/07/09/50/477070950.db2.gz DXOMTVRRZZASQF-UXHICEINSA-N 1 3 345.531 2.775 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838389 477072270 /nfs/dbraw/zinc/07/22/70/477072270.db2.gz AHLBAQMRXLXVMK-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838389 477072272 /nfs/dbraw/zinc/07/22/72/477072272.db2.gz AHLBAQMRXLXVMK-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1C[C@H](C)O ZINC000447838389 477072277 /nfs/dbraw/zinc/07/22/77/477072277.db2.gz AHLBAQMRXLXVMK-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1C[C@H](C)O ZINC000447838389 477072279 /nfs/dbraw/zinc/07/22/79/477072279.db2.gz AHLBAQMRXLXVMK-KJFMYELZSA-N 1 3 340.552 2.873 20 0 EFADHO C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000416216359 477074516 /nfs/dbraw/zinc/07/45/16/477074516.db2.gz ARMFOFJCAAHMSS-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CN(CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000431761458 477090893 /nfs/dbraw/zinc/09/08/93/477090893.db2.gz ZPWOGXDRNIDKIE-FQEVSTJZSA-N 1 3 339.483 2.928 20 0 EFADHO [NH3+]Cc1cc(NC(=O)C23CCCN2CCC3)cc(C(F)(F)F)c1 ZINC000423626141 477091169 /nfs/dbraw/zinc/09/11/69/477091169.db2.gz RZRNDXXGHNSRSZ-UHFFFAOYSA-N 1 3 327.350 2.731 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000447955469 477100519 /nfs/dbraw/zinc/10/05/19/477100519.db2.gz PGEOOWZGSKWAGQ-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000447955469 477100525 /nfs/dbraw/zinc/10/05/25/477100525.db2.gz PGEOOWZGSKWAGQ-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447957200 477102552 /nfs/dbraw/zinc/10/25/52/477102552.db2.gz YRLVGTUKHWXQRS-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447957200 477102560 /nfs/dbraw/zinc/10/25/60/477102560.db2.gz YRLVGTUKHWXQRS-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000447963681 477104258 /nfs/dbraw/zinc/10/42/58/477104258.db2.gz DNVPSDCLGHHTBB-GOSISDBHSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431850727 477108793 /nfs/dbraw/zinc/10/87/93/477108793.db2.gz KNNUQIIWYORBFH-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431850727 477108801 /nfs/dbraw/zinc/10/88/01/477108801.db2.gz KNNUQIIWYORBFH-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431850725 477108860 /nfs/dbraw/zinc/10/88/60/477108860.db2.gz KNNUQIIWYORBFH-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000431850725 477108868 /nfs/dbraw/zinc/10/88/68/477108868.db2.gz KNNUQIIWYORBFH-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448042960 477120800 /nfs/dbraw/zinc/12/08/00/477120800.db2.gz LRGGFEIVAMAAQD-IAGOWNOFSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448042960 477120805 /nfs/dbraw/zinc/12/08/05/477120805.db2.gz LRGGFEIVAMAAQD-IAGOWNOFSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000423723151 477122892 /nfs/dbraw/zinc/12/28/92/477122892.db2.gz GXMPYHBORQCZGD-DNVCBOLYSA-N 1 3 325.456 2.701 20 0 EFADHO CCN(CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH+](CC)CC)C1CC1 ZINC000431951474 477126772 /nfs/dbraw/zinc/12/67/72/477126772.db2.gz CJBWMVROXNSOLA-SJLPKXTDSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423751948 477133652 /nfs/dbraw/zinc/13/36/52/477133652.db2.gz AGKALYLLTXOLCL-KRWDZBQOSA-N 1 3 331.847 2.831 20 0 EFADHO CC[C@@H]1CCCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022302 477137123 /nfs/dbraw/zinc/13/71/23/477137123.db2.gz SHEQEBNWOIRSSO-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccc(Cl)cc1 ZINC000423766277 477137614 /nfs/dbraw/zinc/13/76/14/477137614.db2.gz COFHHUUKMSNTEX-OIISXLGYSA-N 1 3 337.895 2.967 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423769898 477138267 /nfs/dbraw/zinc/13/82/67/477138267.db2.gz COLSAYQPLQXWAD-MOPGFXCFSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423770407 477139388 /nfs/dbraw/zinc/13/93/88/477139388.db2.gz DHIFTBPCUGDUOV-FTRWYGJKSA-N 1 3 337.467 2.957 20 0 EFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000423780764 477140867 /nfs/dbraw/zinc/14/08/67/477140867.db2.gz GTEGCKFJUWXOLL-MBOZVWFJSA-N 1 3 345.487 2.528 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423785489 477143506 /nfs/dbraw/zinc/14/35/06/477143506.db2.gz OIRNNDWOUUAYDC-IBGZPJMESA-N 1 3 344.503 2.712 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448253546 477151621 /nfs/dbraw/zinc/15/16/21/477151621.db2.gz XMUMJZGUEMXNPV-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO COCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453067582 477157976 /nfs/dbraw/zinc/15/79/76/477157976.db2.gz JYJJYJBHLVPAOV-XUVXKRRUSA-N 1 3 332.488 2.682 20 0 EFADHO COCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453067582 477157981 /nfs/dbraw/zinc/15/79/81/477157981.db2.gz JYJJYJBHLVPAOV-XUVXKRRUSA-N 1 3 332.488 2.682 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000457715793 477158077 /nfs/dbraw/zinc/15/80/77/477158077.db2.gz SFHRHGQPKWKFAB-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000457715793 477158083 /nfs/dbraw/zinc/15/80/83/477158083.db2.gz SFHRHGQPKWKFAB-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457726749 477165541 /nfs/dbraw/zinc/16/55/41/477165541.db2.gz FOVBTEVGBBKJBA-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457726749 477165546 /nfs/dbraw/zinc/16/55/46/477165546.db2.gz FOVBTEVGBBKJBA-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CN1CCC[N@H+](CCCN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453103389 477169259 /nfs/dbraw/zinc/16/92/59/477169259.db2.gz RPXFRARZNFFMBD-OAHLLOKOSA-N 1 3 341.421 2.708 20 0 EFADHO CN1CCC[N@@H+](CCCN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453103389 477169267 /nfs/dbraw/zinc/16/92/67/477169267.db2.gz RPXFRARZNFFMBD-OAHLLOKOSA-N 1 3 341.421 2.708 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000423846854 477182471 /nfs/dbraw/zinc/18/24/71/477182471.db2.gz OHRPXKOZORUXAP-VQIMIIECSA-N 1 3 344.503 2.531 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523462 477183907 /nfs/dbraw/zinc/18/39/07/477183907.db2.gz ZJGHGQQCYKVPOP-YSIASYRMSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523462 477183911 /nfs/dbraw/zinc/18/39/11/477183911.db2.gz ZJGHGQQCYKVPOP-YSIASYRMSA-N 1 3 347.547 2.972 20 0 EFADHO NC1(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000423852482 477186098 /nfs/dbraw/zinc/18/60/98/477186098.db2.gz RRJMOAGSKFPQKE-UHFFFAOYSA-N 1 3 341.499 2.773 20 0 EFADHO NC1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000423852482 477186106 /nfs/dbraw/zinc/18/61/06/477186106.db2.gz RRJMOAGSKFPQKE-UHFFFAOYSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)CN1Cc1ccccc1 ZINC000366798370 477192550 /nfs/dbraw/zinc/19/25/50/477192550.db2.gz RXMQXMUMTHKZIV-SBHAEUEKSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)CN1Cc1ccccc1 ZINC000366798372 477193484 /nfs/dbraw/zinc/19/34/84/477193484.db2.gz RXMQXMUMTHKZIV-SFHLNBCPSA-N 1 3 345.531 2.740 20 0 EFADHO N[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000423893036 477202948 /nfs/dbraw/zinc/20/29/48/477202948.db2.gz COZSFWJDRQLTQP-BHIYHBOVSA-N 1 3 327.472 2.552 20 0 EFADHO N[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000423893036 477202955 /nfs/dbraw/zinc/20/29/55/477202955.db2.gz COZSFWJDRQLTQP-BHIYHBOVSA-N 1 3 327.472 2.552 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CCC2)CC1 ZINC000411361284 477205447 /nfs/dbraw/zinc/20/54/47/477205447.db2.gz GZZCVXSTUTWVNC-HXUWFJFHSA-N 1 3 329.488 2.718 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CCC2)CC1 ZINC000411361275 477206032 /nfs/dbraw/zinc/20/60/32/477206032.db2.gz GZZCVXSTUTWVNC-FQEVSTJZSA-N 1 3 329.488 2.718 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423897819 477206010 /nfs/dbraw/zinc/20/60/10/477206010.db2.gz HQSMWIKBBJYKMU-QYZOEREBSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423897819 477206017 /nfs/dbraw/zinc/20/60/17/477206017.db2.gz HQSMWIKBBJYKMU-QYZOEREBSA-N 1 3 329.488 2.627 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423899426 477206879 /nfs/dbraw/zinc/20/68/79/477206879.db2.gz IZFPWQHTZTXXFM-GBESFXJTSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423899426 477206883 /nfs/dbraw/zinc/20/68/83/477206883.db2.gz IZFPWQHTZTXXFM-GBESFXJTSA-N 1 3 343.515 2.873 20 0 EFADHO N[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903628 477209210 /nfs/dbraw/zinc/20/92/10/477209210.db2.gz NGJQNCBHYGOJFC-UFYCRDLUSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903628 477209215 /nfs/dbraw/zinc/20/92/15/477209215.db2.gz NGJQNCBHYGOJFC-UFYCRDLUSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423904053 477209963 /nfs/dbraw/zinc/20/99/63/477209963.db2.gz NULIEEHSWYGLDR-QRQLOZEOSA-N 1 3 333.520 2.759 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423904053 477209968 /nfs/dbraw/zinc/20/99/68/477209968.db2.gz NULIEEHSWYGLDR-QRQLOZEOSA-N 1 3 333.520 2.759 20 0 EFADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906270 477210899 /nfs/dbraw/zinc/21/08/99/477210899.db2.gz PWZFKONCWXXWMI-RBUKOAKNSA-N 1 3 341.499 2.771 20 0 EFADHO NC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906270 477210905 /nfs/dbraw/zinc/21/09/05/477210905.db2.gz PWZFKONCWXXWMI-RBUKOAKNSA-N 1 3 341.499 2.771 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909584 477211741 /nfs/dbraw/zinc/21/17/41/477211741.db2.gz UDOLFOHGWJAIPN-UFYCRDLUSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909584 477211744 /nfs/dbraw/zinc/21/17/44/477211744.db2.gz UDOLFOHGWJAIPN-UFYCRDLUSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423915185 477214939 /nfs/dbraw/zinc/21/49/39/477214939.db2.gz YFRUNDBMJZCALL-CGTJXYLNSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000423915185 477214944 /nfs/dbraw/zinc/21/49/44/477214944.db2.gz YFRUNDBMJZCALL-CGTJXYLNSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423915190 477215214 /nfs/dbraw/zinc/21/52/14/477215214.db2.gz YFRUNDBMJZCALL-RYQLBKOJSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000423915190 477215219 /nfs/dbraw/zinc/21/52/19/477215219.db2.gz YFRUNDBMJZCALL-RYQLBKOJSA-N 1 3 331.504 2.777 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453371531 477215697 /nfs/dbraw/zinc/21/56/97/477215697.db2.gz NOCZNHPZIBMZAK-GDAAHCPNSA-N 1 3 329.488 2.544 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453371531 477215702 /nfs/dbraw/zinc/21/57/02/477215702.db2.gz NOCZNHPZIBMZAK-GDAAHCPNSA-N 1 3 329.488 2.544 20 0 EFADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453383428 477218340 /nfs/dbraw/zinc/21/83/40/477218340.db2.gz SPTQCUOJQHOOFY-IJXRJRJASA-N 1 3 343.515 2.791 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCCOCCc1ccccc1 ZINC000371294824 477223584 /nfs/dbraw/zinc/22/35/84/477223584.db2.gz NGCLAPVYZRHFNQ-NJYVYQBISA-N 1 3 346.515 2.819 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000411415443 477225825 /nfs/dbraw/zinc/22/58/25/477225825.db2.gz NKUAPGLDFRPILX-XFWGSAIBSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000411415443 477225829 /nfs/dbraw/zinc/22/58/29/477225829.db2.gz NKUAPGLDFRPILX-XFWGSAIBSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCC(=O)N1 ZINC000453424295 477229097 /nfs/dbraw/zinc/22/90/97/477229097.db2.gz NRPFOLQKJIIRDA-ANTGDGSKSA-N 1 3 341.499 2.545 20 0 EFADHO COCC1(O)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411420699 477230080 /nfs/dbraw/zinc/23/00/80/477230080.db2.gz QTLODLMUBNXTEY-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@@H](C(=O)NCCc1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877180 477235644 /nfs/dbraw/zinc/23/56/44/477235644.db2.gz ADBJHSHQMOCMLL-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366890708 477243140 /nfs/dbraw/zinc/24/31/40/477243140.db2.gz ZMOMCRHVGRSSDR-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C)cc([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411466336 477244548 /nfs/dbraw/zinc/24/45/48/477244548.db2.gz RFFURJGZEGQZCL-KRWDZBQOSA-N 1 3 331.504 2.943 20 0 EFADHO Cc1cccc([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000411474579 477248000 /nfs/dbraw/zinc/24/80/00/477248000.db2.gz YIKMMCBPUMPNCM-KRWDZBQOSA-N 1 3 331.504 2.943 20 0 EFADHO O=C1NCCCC[C@H]1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371354609 477260464 /nfs/dbraw/zinc/26/04/64/477260464.db2.gz MXPLBHDQKMOHIX-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C1NCCCC[C@H]1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371354609 477260472 /nfs/dbraw/zinc/26/04/72/477260472.db2.gz MXPLBHDQKMOHIX-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)N(C)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000411532527 477266865 /nfs/dbraw/zinc/26/68/65/477266865.db2.gz MLJOPZMXOSZFAC-YRWFTTLQSA-N 1 3 331.504 2.599 20 0 EFADHO Cn1cc(CN2CCCC3(CC[NH+](C)CC3)C2)c(-c2ccncc2)n1 ZINC000366955860 477273465 /nfs/dbraw/zinc/27/34/65/477273465.db2.gz SBRNVTXWYJBRQS-UHFFFAOYSA-N 1 3 339.487 2.790 20 0 EFADHO C[NH+]1CCC2(CCCN(Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000366955185 477274273 /nfs/dbraw/zinc/27/42/73/477274273.db2.gz QRNSJLFLOOZMQI-UHFFFAOYSA-N 1 3 328.504 2.990 20 0 EFADHO CCS[C@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411561017 477275769 /nfs/dbraw/zinc/27/57/69/477275769.db2.gz QGKKKAWWLCZXLF-IRXDYDNUSA-N 1 3 341.565 2.629 20 0 EFADHO C[C@@H](O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411568846 477279072 /nfs/dbraw/zinc/27/90/72/477279072.db2.gz MJTFXTQIYYPIEO-RTBURBONSA-N 1 3 345.531 2.559 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000454260887 477282905 /nfs/dbraw/zinc/28/29/05/477282905.db2.gz GYZOACSKEXLLKB-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)N(C)C ZINC000454260887 477282908 /nfs/dbraw/zinc/28/29/08/477282908.db2.gz GYZOACSKEXLLKB-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000411577461 477283540 /nfs/dbraw/zinc/28/35/40/477283540.db2.gz ZGEQJWYJGIMCOY-RBUKOAKNSA-N 1 3 345.531 2.559 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458162227 477297520 /nfs/dbraw/zinc/29/75/20/477297520.db2.gz HYVWPFPDVOBFMZ-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458162227 477297524 /nfs/dbraw/zinc/29/75/24/477297524.db2.gz HYVWPFPDVOBFMZ-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO C[C@@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000448837054 477310078 /nfs/dbraw/zinc/31/00/78/477310078.db2.gz ROKPSSHAPVDCLT-IKGGRYGDSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(Cl)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448837900 477310123 /nfs/dbraw/zinc/31/01/23/477310123.db2.gz UPBXDRHBZRXEPA-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000433148680 477310139 /nfs/dbraw/zinc/31/01/39/477310139.db2.gz HEDMAIRAVBMNFK-CTNGQTDRSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000367043631 477311801 /nfs/dbraw/zinc/31/18/01/477311801.db2.gz RCYBZGLNJHIVPQ-FQEVSTJZSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000367043631 477311810 /nfs/dbraw/zinc/31/18/10/477311810.db2.gz RCYBZGLNJHIVPQ-FQEVSTJZSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000433156048 477313123 /nfs/dbraw/zinc/31/31/23/477313123.db2.gz HSBVMCCBHQPVFV-UHOSZYNNSA-N 1 3 331.504 2.729 20 0 EFADHO COC[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411683532 477326194 /nfs/dbraw/zinc/32/61/94/477326194.db2.gz ZKJITEFCAPRTJH-VQTJNVASSA-N 1 3 332.488 2.956 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000416836513 477329733 /nfs/dbraw/zinc/32/97/33/477329733.db2.gz GKTABNUARXHAPP-YTQUADARSA-N 1 3 346.519 2.838 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416836933 477330863 /nfs/dbraw/zinc/33/08/63/477330863.db2.gz HANANODRUMQIEQ-MNEFBYGVSA-N 1 3 346.519 2.539 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000416839443 477331115 /nfs/dbraw/zinc/33/11/15/477331115.db2.gz KABBIGJRJBYCME-AZUAARDMSA-N 1 3 346.519 2.541 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416837568 477331376 /nfs/dbraw/zinc/33/13/76/477331376.db2.gz IAYNOJWKHRFVBE-HKUYNNGSSA-N 1 3 346.519 2.541 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416838473 477331436 /nfs/dbraw/zinc/33/14/36/477331436.db2.gz CBBZDDYKQCTFMP-LJQANCHMSA-N 1 3 340.471 2.623 20 0 EFADHO CN1CCO[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411697238 477332944 /nfs/dbraw/zinc/33/29/44/477332944.db2.gz KMICQPANJYOHRS-LEWJYISDSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434330712 477333604 /nfs/dbraw/zinc/33/36/04/477333604.db2.gz QSJPGGJWNSKCAQ-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000416845185 477334054 /nfs/dbraw/zinc/33/40/54/477334054.db2.gz RFIKLJGFNPHQMX-HNAYVOBHSA-N 1 3 346.519 2.621 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434330710 477334202 /nfs/dbraw/zinc/33/42/02/477334202.db2.gz QSJPGGJWNSKCAQ-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000434421546 477335260 /nfs/dbraw/zinc/33/52/60/477335260.db2.gz WWCDATAJUBTWTF-LPHOPBHVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000434421546 477335265 /nfs/dbraw/zinc/33/52/65/477335265.db2.gz WWCDATAJUBTWTF-LPHOPBHVSA-N 1 3 333.520 2.774 20 0 EFADHO COC(=O)CC1CC([NH2+]CC2CCN(Cc3cccs3)CC2)C1 ZINC000424264598 477346906 /nfs/dbraw/zinc/34/69/06/477346906.db2.gz HHKQFSPPWWJICW-UHFFFAOYSA-N 1 3 336.501 2.891 20 0 EFADHO Cc1cnn(CC2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000424280045 477353853 /nfs/dbraw/zinc/35/38/53/477353853.db2.gz GWPKIXXQWGREPC-SFHVURJKSA-N 1 3 330.451 2.785 20 0 EFADHO Cc1cnn(CC2CC[NH+](C[C@H](CN)c3ccc(F)cc3)CC2)c1 ZINC000424280045 477353859 /nfs/dbraw/zinc/35/38/59/477353859.db2.gz GWPKIXXQWGREPC-SFHVURJKSA-N 1 3 330.451 2.785 20 0 EFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289055 477357014 /nfs/dbraw/zinc/35/70/14/477357014.db2.gz LIKTWFQLXLBYNK-ZWKOTPCHSA-N 1 3 343.515 2.506 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000424287496 477357572 /nfs/dbraw/zinc/35/75/72/477357572.db2.gz IWYZEEDFRLONDO-ZIAGYGMSSA-N 1 3 331.229 2.827 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424294349 477359951 /nfs/dbraw/zinc/35/99/51/477359951.db2.gz QATRQFDBIHCBLS-DLBZAZTESA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295168 477360646 /nfs/dbraw/zinc/36/06/46/477360646.db2.gz QULNKEZDSFWXFP-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)NC1(c3ccccc3)CCC1)CC[NH2+]CC2 ZINC000424295046 477360964 /nfs/dbraw/zinc/36/09/64/477360964.db2.gz QOBFOUKLNIUAAP-KRWDZBQOSA-N 1 3 341.499 2.646 20 0 EFADHO [NH3+]C[C@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303883 477362881 /nfs/dbraw/zinc/36/28/81/477362881.db2.gz PNKPYWROMWCYTF-DOTOQJQBSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303883 477362889 /nfs/dbraw/zinc/36/28/89/477362889.db2.gz PNKPYWROMWCYTF-DOTOQJQBSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303883 477362893 /nfs/dbraw/zinc/36/28/93/477362893.db2.gz PNKPYWROMWCYTF-DOTOQJQBSA-N 1 3 328.435 2.697 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301184 477363327 /nfs/dbraw/zinc/36/33/27/477363327.db2.gz XJTZBUXYIJJOHP-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO [NH3+]C[C@@H](CN1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303885 477363366 /nfs/dbraw/zinc/36/33/66/477363366.db2.gz PNKPYWROMWCYTF-RDJZCZTQSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303885 477363371 /nfs/dbraw/zinc/36/33/71/477363371.db2.gz PNKPYWROMWCYTF-RDJZCZTQSA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303885 477363376 /nfs/dbraw/zinc/36/33/76/477363376.db2.gz PNKPYWROMWCYTF-RDJZCZTQSA-N 1 3 328.435 2.697 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](CN)c2ccc(F)cc2)C1 ZINC000424305286 477364387 /nfs/dbraw/zinc/36/43/87/477364387.db2.gz RZVKASOPBMLFLB-AEFFLSMTSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(F)cc2)C1 ZINC000424305286 477364394 /nfs/dbraw/zinc/36/43/94/477364394.db2.gz RZVKASOPBMLFLB-AEFFLSMTSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@H]1CCCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424305286 477364399 /nfs/dbraw/zinc/36/43/99/477364399.db2.gz RZVKASOPBMLFLB-AEFFLSMTSA-N 1 3 330.451 2.964 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000424317098 477370213 /nfs/dbraw/zinc/37/02/13/477370213.db2.gz NWRYOJRMDKAFMB-WTGUMLROSA-N 1 3 340.471 2.675 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000424317098 477370220 /nfs/dbraw/zinc/37/02/20/477370220.db2.gz NWRYOJRMDKAFMB-WTGUMLROSA-N 1 3 340.471 2.675 20 0 EFADHO CN(c1ccccc1)c1ccc(CNCCOCC[NH+](C)C)cn1 ZINC000435789164 477370950 /nfs/dbraw/zinc/37/09/50/477370950.db2.gz HRGOLXIETAJTEJ-UHFFFAOYSA-N 1 3 328.460 2.517 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000458364270 477372068 /nfs/dbraw/zinc/37/20/68/477372068.db2.gz AFZLFIZRVYWOGC-IEBWSBKVSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000458364270 477372071 /nfs/dbraw/zinc/37/20/71/477372071.db2.gz AFZLFIZRVYWOGC-IEBWSBKVSA-N 1 3 346.519 2.631 20 0 EFADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000424370405 477381474 /nfs/dbraw/zinc/38/14/74/477381474.db2.gz DTEPZEGBNUEBFU-ZCNNSNEGSA-N 1 3 343.515 2.636 20 0 EFADHO COc1ccccc1-n1nccc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368897 477381516 /nfs/dbraw/zinc/38/15/16/477381516.db2.gz ARNZKWHGMKKVBP-INIZCTEOSA-N 1 3 340.471 2.845 20 0 EFADHO C[C@@H]1CC2(CN1Cc1cnn(-c3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424370811 477381821 /nfs/dbraw/zinc/38/18/21/477381821.db2.gz CSYFIOSEZVBVSI-OAHLLOKOSA-N 1 3 328.435 2.975 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458392140 477389568 /nfs/dbraw/zinc/38/95/68/477389568.db2.gz ADPOCHWAOUXYDG-INIZCTEOSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201328 477390598 /nfs/dbraw/zinc/39/05/98/477390598.db2.gz SKKNMSLLRJZTRA-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000416980461 477403333 /nfs/dbraw/zinc/40/33/33/477403333.db2.gz UIAONCOLAZUSQO-QGZVFWFLSA-N 1 3 346.519 2.776 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416981704 477403558 /nfs/dbraw/zinc/40/35/58/477403558.db2.gz VLJDVPGYCOLGFZ-LJQANCHMSA-N 1 3 346.519 2.510 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000416984936 477405759 /nfs/dbraw/zinc/40/57/59/477405759.db2.gz YFPXBQCQIHIDPL-UHFFFAOYSA-N 1 3 346.519 2.776 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccsc1 ZINC000417002763 477417236 /nfs/dbraw/zinc/41/72/36/477417236.db2.gz GPDBRMUFJPETIE-MRXNPFEDSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccsc1 ZINC000417007122 477419452 /nfs/dbraw/zinc/41/94/52/477419452.db2.gz KQSUWCJYIJPVGB-DOTOQJQBSA-N 1 3 338.521 2.511 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccsc1 ZINC000417011549 477420628 /nfs/dbraw/zinc/42/06/28/477420628.db2.gz SJVXXYKUMOBJCF-HOTGVXAUSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccsc1 ZINC000417010953 477420850 /nfs/dbraw/zinc/42/08/50/477420850.db2.gz QULODGCJDVEEQH-CWRNSKLLSA-N 1 3 338.521 2.558 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449075667 477423179 /nfs/dbraw/zinc/42/31/79/477423179.db2.gz FUNSJZFYEKQJEA-UHFFFAOYSA-N 1 3 333.524 2.506 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000417014109 477424158 /nfs/dbraw/zinc/42/41/58/477424158.db2.gz ZLAYGBHQKOBZQL-HOTGVXAUSA-N 1 3 340.537 2.804 20 0 EFADHO CN(C)CCN1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449079525 477426348 /nfs/dbraw/zinc/42/63/48/477426348.db2.gz ZDEHPCAGNUYDNC-UHFFFAOYSA-N 1 3 337.552 2.872 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417028039 477431206 /nfs/dbraw/zinc/43/12/06/477431206.db2.gz BMXHLIPOUNYLEJ-INIZCTEOSA-N 1 3 344.503 2.601 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417028039 477431215 /nfs/dbraw/zinc/43/12/15/477431215.db2.gz BMXHLIPOUNYLEJ-INIZCTEOSA-N 1 3 344.503 2.601 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092344 477435288 /nfs/dbraw/zinc/43/52/88/477435288.db2.gz LNCRHLVLPPIMLY-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092344 477435299 /nfs/dbraw/zinc/43/52/99/477435299.db2.gz LNCRHLVLPPIMLY-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092344 477435305 /nfs/dbraw/zinc/43/53/05/477435305.db2.gz LNCRHLVLPPIMLY-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@H+](CCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449112789 477443586 /nfs/dbraw/zinc/44/35/86/477443586.db2.gz SQLUUIRZUYRFHE-OAHLLOKOSA-N 1 3 326.506 2.514 20 0 EFADHO CC[N@@H+](CCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000449112789 477443592 /nfs/dbraw/zinc/44/35/92/477443592.db2.gz SQLUUIRZUYRFHE-OAHLLOKOSA-N 1 3 326.506 2.514 20 0 EFADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000449117377 477447006 /nfs/dbraw/zinc/44/70/06/477447006.db2.gz OIFAQLCZGWZQOI-JTDSTZFVSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000417218891 477448654 /nfs/dbraw/zinc/44/86/54/477448654.db2.gz HVRTZGBVMHGMQY-YSHGAJCASA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000436253679 477449586 /nfs/dbraw/zinc/44/95/86/477449586.db2.gz QJSMZRDVHHYKSO-OWCLPIDISA-N 1 3 333.476 2.827 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436267927 477452292 /nfs/dbraw/zinc/45/22/92/477452292.db2.gz FGSPKXFGCZKKET-UHFFFAOYSA-N 1 3 347.532 2.646 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([S@@](C)=O)CCC3)CC2)C1 ZINC000436298500 477457364 /nfs/dbraw/zinc/45/73/64/477457364.db2.gz ZYFHLUBKORNKBF-ULYRPOKDSA-N 1 3 326.550 2.920 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436313271 477460847 /nfs/dbraw/zinc/46/08/47/477460847.db2.gz LPCAWOUGQQPPRN-MOPGFXCFSA-N 1 3 331.435 2.774 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449165595 477467364 /nfs/dbraw/zinc/46/73/64/477467364.db2.gz AITBDOGLHGIONY-BQFCYCMXSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449165595 477467370 /nfs/dbraw/zinc/46/73/70/477467370.db2.gz AITBDOGLHGIONY-BQFCYCMXSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000418338144 477469675 /nfs/dbraw/zinc/46/96/75/477469675.db2.gz YWOLMQHHGJVWLI-KFKAGJAMSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000418338144 477469679 /nfs/dbraw/zinc/46/96/79/477469679.db2.gz YWOLMQHHGJVWLI-KFKAGJAMSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000418340948 477469962 /nfs/dbraw/zinc/46/99/62/477469962.db2.gz CYKQYZKZVVYWSJ-FHLIZLRMSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418327385 477471241 /nfs/dbraw/zinc/47/12/41/477471241.db2.gz MISZEZAYSGBTNW-QYZOEREBSA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418327385 477471246 /nfs/dbraw/zinc/47/12/46/477471246.db2.gz MISZEZAYSGBTNW-QYZOEREBSA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000418364868 477472160 /nfs/dbraw/zinc/47/21/60/477472160.db2.gz WXHVYYNZLFMYJC-YJBOKZPZSA-N 1 3 332.492 2.580 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418438392 477475847 /nfs/dbraw/zinc/47/58/47/477475847.db2.gz XWBOFXPJNRMCRY-ROUUACIJSA-N 1 3 346.519 2.714 20 0 EFADHO COc1nccc(CNCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000449216888 477491166 /nfs/dbraw/zinc/49/11/66/477491166.db2.gz VUHSPZURSCRUPO-FUHWJXTLSA-N 1 3 340.471 2.876 20 0 EFADHO COc1nccc(CNCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000449216888 477491173 /nfs/dbraw/zinc/49/11/73/477491173.db2.gz VUHSPZURSCRUPO-FUHWJXTLSA-N 1 3 340.471 2.876 20 0 EFADHO CO[C@@H](CC(C)C)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419206897 477495759 /nfs/dbraw/zinc/49/57/59/477495759.db2.gz NRSPCNSQFAOFAR-NRFANRHFSA-N 1 3 347.547 2.797 20 0 EFADHO CO[C@@H](CC(C)C)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419206897 477495771 /nfs/dbraw/zinc/49/57/71/477495771.db2.gz NRSPCNSQFAOFAR-NRFANRHFSA-N 1 3 347.547 2.797 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000455123458 477507537 /nfs/dbraw/zinc/50/75/37/477507537.db2.gz ZVXDNLGRHCXLSU-GOSISDBHSA-N 1 3 336.524 2.522 20 0 EFADHO COc1cc2[nH+]ccc(N3CCN(C4CCC4)CC3)c2cc1OC ZINC000413129600 477535078 /nfs/dbraw/zinc/53/50/78/477535078.db2.gz BTXHXYIHSUJHND-UHFFFAOYSA-N 1 3 327.428 2.927 20 0 EFADHO COc1cccc2c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cccc12 ZINC000449307231 477536220 /nfs/dbraw/zinc/53/62/20/477536220.db2.gz YWVCHNMWDHWDPG-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449399662 477564146 /nfs/dbraw/zinc/56/41/46/477564146.db2.gz CKPQTWWJMADZPZ-YLJYHZDGSA-N 1 3 333.520 2.979 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000458782071 477593860 /nfs/dbraw/zinc/59/38/60/477593860.db2.gz WMYXVYUTOUKKSH-MKXAEBJUSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000458782071 477593866 /nfs/dbraw/zinc/59/38/66/477593866.db2.gz WMYXVYUTOUKKSH-MKXAEBJUSA-N 1 3 348.491 2.633 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](N[C@@H](c3ncc[nH]3)C3CCCCC3)C2)CC1 ZINC000367611208 477598759 /nfs/dbraw/zinc/59/87/59/477598759.db2.gz AVTDMQWTBRTJFY-PKOBYXMFSA-N 1 3 345.535 2.789 20 0 EFADHO CC(C)c1nc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367624640 477609303 /nfs/dbraw/zinc/60/93/03/477609303.db2.gz WTLIKXYTBKWAFS-QGZVFWFLSA-N 1 3 336.549 2.867 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000420296766 477669646 /nfs/dbraw/zinc/66/96/46/477669646.db2.gz DUDKAGGQUMEEMW-SFTDATJTSA-N 1 3 340.467 2.535 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000420296766 477669655 /nfs/dbraw/zinc/66/96/55/477669655.db2.gz DUDKAGGQUMEEMW-SFTDATJTSA-N 1 3 340.467 2.535 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCC1 ZINC000437088084 477669761 /nfs/dbraw/zinc/66/97/61/477669761.db2.gz PWPGEPREQYTGHM-VAMGGRTRSA-N 1 3 327.516 2.971 20 0 EFADHO Cc1ccccc1OCCC[N@@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296328 477670487 /nfs/dbraw/zinc/67/04/87/477670487.db2.gz BKFUVNSAWSHVNY-PMACEKPBSA-N 1 3 342.483 2.627 20 0 EFADHO Cc1ccccc1OCCC[N@H+](C)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296328 477670496 /nfs/dbraw/zinc/67/04/96/477670496.db2.gz BKFUVNSAWSHVNY-PMACEKPBSA-N 1 3 342.483 2.627 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420296784 477670972 /nfs/dbraw/zinc/67/09/72/477670972.db2.gz DWFKAKJWFAMXFZ-HNNXBMFYSA-N 1 3 339.886 2.986 20 0 EFADHO Cc1cnn(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420302659 477676200 /nfs/dbraw/zinc/67/62/00/477676200.db2.gz BUGGNPNXQMLCCK-KRWDZBQOSA-N 1 3 330.501 2.897 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420309896 477680945 /nfs/dbraw/zinc/68/09/45/477680945.db2.gz UISHEQYJFHFKEH-FSSWDIPSSA-N 1 3 338.495 2.872 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000420309896 477680952 /nfs/dbraw/zinc/68/09/52/477680952.db2.gz UISHEQYJFHFKEH-FSSWDIPSSA-N 1 3 338.495 2.872 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H](Cc2ccccc2)C1 ZINC000420309896 477680962 /nfs/dbraw/zinc/68/09/62/477680962.db2.gz UISHEQYJFHFKEH-FSSWDIPSSA-N 1 3 338.495 2.872 20 0 EFADHO COC(=O)c1cc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2o1 ZINC000420310813 477682835 /nfs/dbraw/zinc/68/28/35/477682835.db2.gz QEYMUIKFTCTRTN-CWRNSKLLSA-N 1 3 328.412 2.779 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000420313333 477683082 /nfs/dbraw/zinc/68/30/82/477683082.db2.gz IXCBUHUVDKMJNU-QZTJIDSGSA-N 1 3 342.487 2.834 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000420313333 477683085 /nfs/dbraw/zinc/68/30/85/477683085.db2.gz IXCBUHUVDKMJNU-QZTJIDSGSA-N 1 3 342.487 2.834 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@@H]2c2cccc(F)c2)cc1 ZINC000420315564 477685401 /nfs/dbraw/zinc/68/54/01/477685401.db2.gz RZAHNRQKIKCTKR-YLJYHZDGSA-N 1 3 343.446 2.523 20 0 EFADHO O=C(CCc1ccccc1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420317108 477688411 /nfs/dbraw/zinc/68/84/11/477688411.db2.gz NDTFWMDBDUOYDV-HXUWFJFHSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550751 477689412 /nfs/dbraw/zinc/68/94/12/477689412.db2.gz ISKUXTORDZOINL-FQEVSTJZSA-N 1 3 349.563 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550751 477689420 /nfs/dbraw/zinc/68/94/20/477689420.db2.gz ISKUXTORDZOINL-FQEVSTJZSA-N 1 3 349.563 2.684 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420323582 477691599 /nfs/dbraw/zinc/69/15/99/477691599.db2.gz GDZUJOSALXDUJE-PMACEKPBSA-N 1 3 343.515 2.894 20 0 EFADHO CC(C)(C)c1nc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000420322487 477692332 /nfs/dbraw/zinc/69/23/32/477692332.db2.gz SLXKDWRKOMCVHB-HNNXBMFYSA-N 1 3 336.549 2.558 20 0 EFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420324972 477693810 /nfs/dbraw/zinc/69/38/10/477693810.db2.gz VWELVXOOVIBYLZ-CIISACIHSA-N 1 3 329.271 2.883 20 0 EFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420324971 477694065 /nfs/dbraw/zinc/69/40/65/477694065.db2.gz VWELVXOOVIBYLZ-AMKSKSKJSA-N 1 3 329.271 2.883 20 0 EFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323921 477694502 /nfs/dbraw/zinc/69/45/02/477694502.db2.gz AFMNGTGMPSWSKO-HLLBOEOZSA-N 1 3 347.528 2.515 20 0 EFADHO COc1ccc(-c2cnc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000420328176 477696198 /nfs/dbraw/zinc/69/61/98/477696198.db2.gz DXTMCLCONVCOKW-IYBDPMFKSA-N 1 3 327.428 2.782 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1CN ZINC000420330340 477699777 /nfs/dbraw/zinc/69/97/77/477699777.db2.gz HWMMFGFDBRJZQE-TZMCWYRMSA-N 1 3 339.867 2.736 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1CN ZINC000420330340 477699783 /nfs/dbraw/zinc/69/97/83/477699783.db2.gz HWMMFGFDBRJZQE-TZMCWYRMSA-N 1 3 339.867 2.736 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C2CC2)CC1 ZINC000420330540 477700397 /nfs/dbraw/zinc/70/03/97/477700397.db2.gz QBERPYFHEGSHBQ-YBXZHIRMSA-N 1 3 347.547 2.878 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420332996 477702221 /nfs/dbraw/zinc/70/22/21/477702221.db2.gz DVLRLGDOWAQOFU-BJLQDIEVSA-N 1 3 341.499 2.502 20 0 EFADHO COc1ccc(-c2noc([C@@H](C)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420332362 477702258 /nfs/dbraw/zinc/70/22/58/477702258.db2.gz JDGUISHPCGYRDI-BMFZPTHFSA-N 1 3 342.443 2.738 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Cl)c1 ZINC000420334823 477704247 /nfs/dbraw/zinc/70/42/47/477704247.db2.gz ULJBORCBJUVJMZ-RLFYNMQTSA-N 1 3 347.890 2.767 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Cl)c1 ZINC000420334816 477705007 /nfs/dbraw/zinc/70/50/07/477705007.db2.gz ULJBORCBJUVJMZ-HDMKZQKVSA-N 1 3 347.890 2.767 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000459038872 477711358 /nfs/dbraw/zinc/71/13/58/477711358.db2.gz IUGNQYZFDPSNIY-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)N(C)C ZINC000459038872 477711361 /nfs/dbraw/zinc/71/13/61/477711361.db2.gz IUGNQYZFDPSNIY-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420344502 477711866 /nfs/dbraw/zinc/71/18/66/477711866.db2.gz TZFJBDPTCYWBCU-CWLKWCNXSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346971 477715519 /nfs/dbraw/zinc/71/55/19/477715519.db2.gz ZPBKUBGZYNMHPF-INMHGKMJSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347385 477716014 /nfs/dbraw/zinc/71/60/14/477716014.db2.gz YKYKKOUZBFEEGJ-KFWWJZLASA-N 1 3 335.879 2.907 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccccn1 ZINC000377264645 477716019 /nfs/dbraw/zinc/71/60/19/477716019.db2.gz ALDTXXXJJLNFEU-UHFFFAOYSA-N 1 3 330.520 2.710 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346318 477716131 /nfs/dbraw/zinc/71/61/31/477716131.db2.gz WHSSGZWQJOELHX-GJJHYRHESA-N 1 3 343.515 2.746 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346968 477716223 /nfs/dbraw/zinc/71/62/23/477716223.db2.gz ZPBKUBGZYNMHPF-BFYDXBDKSA-N 1 3 349.906 2.666 20 0 EFADHO [NH3+]C[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000420363311 477720722 /nfs/dbraw/zinc/72/07/22/477720722.db2.gz JJRTWCWHHPEKIC-INIZCTEOSA-N 1 3 325.403 2.791 20 0 EFADHO COC(=O)CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420360332 477721355 /nfs/dbraw/zinc/72/13/55/477721355.db2.gz LYCWNMXVNTVBCP-AWEZNQCLSA-N 1 3 340.414 2.720 20 0 EFADHO COC(=O)CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420360334 477721571 /nfs/dbraw/zinc/72/15/71/477721571.db2.gz LYCWNMXVNTVBCP-CQSZACIVSA-N 1 3 340.414 2.720 20 0 EFADHO CCOc1ccccc1CN1CCN(CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000420371173 477729199 /nfs/dbraw/zinc/72/91/99/477729199.db2.gz KHYBGLAIMQFAKV-ROUUACIJSA-N 1 3 331.504 2.591 20 0 EFADHO CCOc1ccccc1CN1CCN(CC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000420371170 477729611 /nfs/dbraw/zinc/72/96/11/477729611.db2.gz KHYBGLAIMQFAKV-QZTJIDSGSA-N 1 3 331.504 2.591 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374249 477731897 /nfs/dbraw/zinc/73/18/97/477731897.db2.gz HGLYQOYZGQXIFJ-UYAOXDASSA-N 1 3 332.488 2.901 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000420376958 477732300 /nfs/dbraw/zinc/73/23/00/477732300.db2.gz KHTPVIYZKHIJRN-WMZOPIPTSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000420376957 477733593 /nfs/dbraw/zinc/73/35/93/477733593.db2.gz KHTPVIYZKHIJRN-SJLPKXTDSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000420377104 477733607 /nfs/dbraw/zinc/73/36/07/477733607.db2.gz KQLVJPRQGYTUOX-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000420380088 477734647 /nfs/dbraw/zinc/73/46/47/477734647.db2.gz BTHWJXWQWGDOIR-XLIONFOSSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000420379559 477735758 /nfs/dbraw/zinc/73/57/58/477735758.db2.gz BCQSCUKHMJNLIX-FUHWJXTLSA-N 1 3 338.879 2.937 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377325152 477739704 /nfs/dbraw/zinc/73/97/04/477739704.db2.gz WXFARWPTHHLQCS-SFHVURJKSA-N 1 3 327.488 2.532 20 0 EFADHO CCc1cccc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420389509 477741292 /nfs/dbraw/zinc/74/12/92/477741292.db2.gz MEHFDPPPUFTGBN-QUCCMNQESA-N 1 3 332.488 2.846 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000437742700 477745679 /nfs/dbraw/zinc/74/56/79/477745679.db2.gz GJLBXSHDHYMZDK-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000372306336 477747708 /nfs/dbraw/zinc/74/77/08/477747708.db2.gz CBDZQRFJFZYTFY-SFHVURJKSA-N 1 3 344.503 2.944 20 0 EFADHO C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)CCN(C2CCC2)C1 ZINC000459109844 477749311 /nfs/dbraw/zinc/74/93/11/477749311.db2.gz PZYNNPIWDQYAAA-INIZCTEOSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000437764675 477749887 /nfs/dbraw/zinc/74/98/87/477749887.db2.gz MKVOKBQHTXAUAZ-RYRKJORJSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000437764675 477749892 /nfs/dbraw/zinc/74/98/92/477749892.db2.gz MKVOKBQHTXAUAZ-RYRKJORJSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000420422827 477756279 /nfs/dbraw/zinc/75/62/79/477756279.db2.gz ZTSZHKGJEQEOQR-STQMWFEESA-N 1 3 343.393 2.951 20 0 EFADHO Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372334669 477759984 /nfs/dbraw/zinc/75/99/84/477759984.db2.gz WTLUEUQFYOAHIR-PMACEKPBSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1cccc(C)c1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372334669 477759992 /nfs/dbraw/zinc/75/99/92/477759992.db2.gz WTLUEUQFYOAHIR-PMACEKPBSA-N 1 3 345.531 2.640 20 0 EFADHO C[C@@H]1CN(Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372333266 477760533 /nfs/dbraw/zinc/76/05/33/477760533.db2.gz PVFWMQBNUXZSFQ-YLJYHZDGSA-N 1 3 338.499 2.693 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)[C@@H]2C1 ZINC000455837651 477763311 /nfs/dbraw/zinc/76/33/11/477763311.db2.gz BQLDQZUVZFGENQ-MDASCCDHSA-N 1 3 342.487 2.793 20 0 EFADHO CC[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427265947 477772307 /nfs/dbraw/zinc/77/23/07/477772307.db2.gz GBRJKTAGKHUWGA-PXNSSMCTSA-N 1 3 343.515 2.719 20 0 EFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc3c(c1)CC[C@@H]3[NH+](C)C)CC2 ZINC000455873919 477772193 /nfs/dbraw/zinc/77/21/93/477772193.db2.gz AELUONWZTAILMD-AOIWGVFYSA-N 1 3 342.487 2.936 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000427265881 477772758 /nfs/dbraw/zinc/77/27/58/477772758.db2.gz PSGSWXVHCZUCFX-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000451035352 477797975 /nfs/dbraw/zinc/79/79/75/477797975.db2.gz GRCOKXJDPNIQLB-FPOVZHCZSA-N 1 3 347.547 2.501 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000451035352 477797983 /nfs/dbraw/zinc/79/79/83/477797983.db2.gz GRCOKXJDPNIQLB-FPOVZHCZSA-N 1 3 347.547 2.501 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000438219022 477811166 /nfs/dbraw/zinc/81/11/66/477811166.db2.gz YUPSARFBPCBLPS-LJQANCHMSA-N 1 3 332.488 2.923 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438273444 477815156 /nfs/dbraw/zinc/81/51/56/477815156.db2.gz RKMDPNAXGHAJKQ-ROUUACIJSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438273444 477815157 /nfs/dbraw/zinc/81/51/57/477815157.db2.gz RKMDPNAXGHAJKQ-ROUUACIJSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438321064 477823242 /nfs/dbraw/zinc/82/32/42/477823242.db2.gz DLIRHWMMFQBLJX-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438321064 477823245 /nfs/dbraw/zinc/82/32/45/477823245.db2.gz DLIRHWMMFQBLJX-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO C[NH+](C)CC1CCN(Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459292487 477823769 /nfs/dbraw/zinc/82/37/69/477823769.db2.gz DYEHMZJOEPKQDE-UHFFFAOYSA-N 1 3 326.444 2.623 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936408 477836148 /nfs/dbraw/zinc/83/61/48/477836148.db2.gz MVZYTESYOKZCNO-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936408 477836157 /nfs/dbraw/zinc/83/61/57/477836157.db2.gz MVZYTESYOKZCNO-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936408 477836166 /nfs/dbraw/zinc/83/61/66/477836166.db2.gz MVZYTESYOKZCNO-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936408 477836174 /nfs/dbraw/zinc/83/61/74/477836174.db2.gz MVZYTESYOKZCNO-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO c1cc(N2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)ccn1 ZINC000515552096 477840081 /nfs/dbraw/zinc/84/00/81/477840081.db2.gz VUXFDYNVMNSSNP-UHFFFAOYSA-N 1 3 325.412 2.611 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@]1(C)CCCO1 ZINC000428247630 477852917 /nfs/dbraw/zinc/85/29/17/477852917.db2.gz QYLGSUCVLKLECC-JXFKEZNVSA-N 1 3 332.488 2.691 20 0 EFADHO CCCC[C@@H](C)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000460150713 477854353 /nfs/dbraw/zinc/85/43/53/477854353.db2.gz MMFXJGSAIYYQQU-MRXNPFEDSA-N 1 3 338.540 2.765 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000460540044 477862728 /nfs/dbraw/zinc/86/27/28/477862728.db2.gz QXIFHIFERKOTLC-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)C ZINC000515788953 477863577 /nfs/dbraw/zinc/86/35/77/477863577.db2.gz IKBRYAVMOVMGCU-UHFFFAOYSA-N 1 3 340.556 2.869 20 0 EFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966204 477864537 /nfs/dbraw/zinc/86/45/37/477864537.db2.gz QOHNJMXYQMXLCE-GHTZIAJQSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966204 477864545 /nfs/dbraw/zinc/86/45/45/477864545.db2.gz QOHNJMXYQMXLCE-GHTZIAJQSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000515837887 477865724 /nfs/dbraw/zinc/86/57/24/477865724.db2.gz HFRVJRVNUQJOJU-MJGOQNOKSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](N)Cc1ccccc1 ZINC000515837887 477865733 /nfs/dbraw/zinc/86/57/33/477865733.db2.gz HFRVJRVNUQJOJU-MJGOQNOKSA-N 1 3 331.504 2.717 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccnc2ccccc12 ZINC000558419372 477866147 /nfs/dbraw/zinc/86/61/47/477866147.db2.gz OENOIKADZZYXTI-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccnc2ccccc12 ZINC000558419372 477866164 /nfs/dbraw/zinc/86/61/64/477866164.db2.gz OENOIKADZZYXTI-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578077 477868509 /nfs/dbraw/zinc/86/85/09/477868509.db2.gz WNHJOUKHRPLRAX-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578077 477868515 /nfs/dbraw/zinc/86/85/15/477868515.db2.gz WNHJOUKHRPLRAX-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H]([NH3+])[C@H](C)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000493897762 477873184 /nfs/dbraw/zinc/87/31/84/477873184.db2.gz QYHWZGVWAFMIBJ-RLFYNMQTSA-N 1 3 331.504 2.559 20 0 EFADHO CCN(C(=O)CCCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000515927868 477873463 /nfs/dbraw/zinc/87/34/63/477873463.db2.gz ZVOIDVKQUCKKGX-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000459376642 477873575 /nfs/dbraw/zinc/87/35/75/477873575.db2.gz LDXDSWGLJLEWMB-OAQYLSRUSA-N 1 3 338.499 2.813 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCN(C)c3ccccc3)CC2)CC1 ZINC000420980758 477874338 /nfs/dbraw/zinc/87/43/38/477874338.db2.gz LXDSSVMKLQSCMX-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCN(C)c3ccccc3)CC2)CC1 ZINC000420980758 477874343 /nfs/dbraw/zinc/87/43/43/477874343.db2.gz LXDSSVMKLQSCMX-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCCOc3ccccc3)CC2)CC1 ZINC000420987078 477880449 /nfs/dbraw/zinc/88/04/49/477880449.db2.gz ZUOOSDMYIJICNL-UHFFFAOYSA-N 1 3 345.531 2.948 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCCOc3ccccc3)CC2)CC1 ZINC000420987078 477880455 /nfs/dbraw/zinc/88/04/55/477880455.db2.gz ZUOOSDMYIJICNL-UHFFFAOYSA-N 1 3 345.531 2.948 20 0 EFADHO CN(C)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000516020585 477880631 /nfs/dbraw/zinc/88/06/31/477880631.db2.gz OQZKIJSXQIWPSE-LJQANCHMSA-N 1 3 338.455 2.757 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000459393937 477884588 /nfs/dbraw/zinc/88/45/88/477884588.db2.gz WJLURBOJCVVKDN-QZTJIDSGSA-N 1 3 331.504 2.733 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1CC ZINC000461980651 477889653 /nfs/dbraw/zinc/88/96/53/477889653.db2.gz DIADGXUFYMGDAT-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000462004265 477892170 /nfs/dbraw/zinc/89/21/70/477892170.db2.gz QIUBOJDBGHJRPH-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000462004265 477892176 /nfs/dbraw/zinc/89/21/76/477892176.db2.gz QIUBOJDBGHJRPH-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000494006064 477901501 /nfs/dbraw/zinc/90/15/01/477901501.db2.gz FYSXRNPHKLTMHG-FXAWDEMLSA-N 1 3 343.515 2.886 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494068086 477916120 /nfs/dbraw/zinc/91/61/20/477916120.db2.gz DUHQJWFTDJKOJD-JFIYKMOQSA-N 1 3 331.504 2.932 20 0 EFADHO CC[N@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000459463545 477917494 /nfs/dbraw/zinc/91/74/94/477917494.db2.gz NPZYCQJNTYDVTJ-BGYRXZFFSA-N 1 3 344.547 2.613 20 0 EFADHO CC[N@@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000459463545 477917499 /nfs/dbraw/zinc/91/74/99/477917499.db2.gz NPZYCQJNTYDVTJ-BGYRXZFFSA-N 1 3 344.547 2.613 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000463065454 477924699 /nfs/dbraw/zinc/92/46/99/477924699.db2.gz XXPUNLLVFYWJPJ-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000463065454 477924696 /nfs/dbraw/zinc/92/46/96/477924696.db2.gz XXPUNLLVFYWJPJ-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000439082949 477927177 /nfs/dbraw/zinc/92/71/77/477927177.db2.gz FTGDUHRUUDEUBO-HIFRSBDPSA-N 1 3 331.460 2.789 20 0 EFADHO C[C@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486937 477930888 /nfs/dbraw/zinc/93/08/88/477930888.db2.gz GOASTSVIHQVEAE-KOUHRCEDSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486937 477930894 /nfs/dbraw/zinc/93/08/94/477930894.db2.gz GOASTSVIHQVEAE-KOUHRCEDSA-N 1 3 327.516 2.923 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000532492533 477934894 /nfs/dbraw/zinc/93/48/94/477934894.db2.gz IBIYSUAEAODLKP-OLZOCXBDSA-N 1 3 341.883 2.996 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](CC2CC2)c2ccccc2)C1 ZINC000532485055 477935888 /nfs/dbraw/zinc/93/58/88/477935888.db2.gz KZHVCJKVUDTHHZ-RBUKOAKNSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](CC2CC2)c2ccccc2)C1 ZINC000532485055 477935900 /nfs/dbraw/zinc/93/59/00/477935900.db2.gz KZHVCJKVUDTHHZ-RBUKOAKNSA-N 1 3 329.488 2.705 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(CC)c2C)[C@@H](C)C1 ZINC000532497118 477937240 /nfs/dbraw/zinc/93/72/40/477937240.db2.gz RQPMFRUJXIKDJA-KXBFYZLASA-N 1 3 336.524 2.746 20 0 EFADHO Cc1ccc(C[C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459497731 477938569 /nfs/dbraw/zinc/93/85/69/477938569.db2.gz UARQAJXGWOHTAM-LJQANCHMSA-N 1 3 325.456 2.552 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000439179473 477938757 /nfs/dbraw/zinc/93/87/57/477938757.db2.gz VLKSYXIZQGFARZ-MLHJIOFPSA-N 1 3 336.524 2.518 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000439179473 477938761 /nfs/dbraw/zinc/93/87/61/477938761.db2.gz VLKSYXIZQGFARZ-MLHJIOFPSA-N 1 3 336.524 2.518 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532520615 477939869 /nfs/dbraw/zinc/93/98/69/477939869.db2.gz HMUASUDNUKLPAN-PKOBYXMFSA-N 1 3 345.535 2.936 20 0 EFADHO CN1C[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)Cc2ccccc21 ZINC000459517195 477950002 /nfs/dbraw/zinc/95/00/02/477950002.db2.gz QTBKQXICWFRQNZ-KRWDZBQOSA-N 1 3 336.483 2.949 20 0 EFADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1(CO)CCCC1 ZINC000459525326 477955145 /nfs/dbraw/zinc/95/51/45/477955145.db2.gz HGMSGHOCZDUEAF-IBGZPJMESA-N 1 3 339.568 2.569 20 0 EFADHO CNC(=O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532250 477956589 /nfs/dbraw/zinc/95/65/89/477956589.db2.gz WIDAUJYCTDSMOA-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CNC(=O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532250 477956595 /nfs/dbraw/zinc/95/65/95/477956595.db2.gz WIDAUJYCTDSMOA-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363610 477970493 /nfs/dbraw/zinc/97/04/93/477970493.db2.gz LAVUROBACGSLRC-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363610 477970498 /nfs/dbraw/zinc/97/04/98/477970498.db2.gz LAVUROBACGSLRC-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375819 477973601 /nfs/dbraw/zinc/97/36/01/477973601.db2.gz RNMJUNNOSAPISA-FRQCXROJSA-N 1 3 344.503 2.942 20 0 EFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375819 477973605 /nfs/dbraw/zinc/97/36/05/477973605.db2.gz RNMJUNNOSAPISA-FRQCXROJSA-N 1 3 344.503 2.942 20 0 EFADHO CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465365065 477974502 /nfs/dbraw/zinc/97/45/02/477974502.db2.gz MKVDLJCSUYICSK-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465365065 477974508 /nfs/dbraw/zinc/97/45/08/477974508.db2.gz MKVDLJCSUYICSK-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000465458083 477976814 /nfs/dbraw/zinc/97/68/14/477976814.db2.gz YMABPXVMSIMODW-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000465458083 477976820 /nfs/dbraw/zinc/97/68/20/477976820.db2.gz YMABPXVMSIMODW-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@@H+]1C ZINC000466033882 477999652 /nfs/dbraw/zinc/99/96/52/477999652.db2.gz DEEAPMRZNLLEFN-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@H+]1C ZINC000466033882 477999658 /nfs/dbraw/zinc/99/96/58/477999658.db2.gz DEEAPMRZNLLEFN-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428948424 478012051 /nfs/dbraw/zinc/01/20/51/478012051.db2.gz STAKQAHIZLRUFJ-MAUKXSAKSA-N 1 3 329.488 2.789 20 0 EFADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCc3ccccc3OC2)CC1 ZINC000494590096 478018164 /nfs/dbraw/zinc/01/81/64/478018164.db2.gz CQYVJKWQBVHPNQ-SLFFLAALSA-N 1 3 344.499 2.738 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](OC(C)C)C2)CC1 ZINC000459642151 478020355 /nfs/dbraw/zinc/02/03/55/478020355.db2.gz ZPKGLDAQMHOGQO-KDURUIRLSA-N 1 3 331.504 2.874 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000459649901 478021965 /nfs/dbraw/zinc/02/19/65/478021965.db2.gz RZDAIWBTJMMOEN-IZAXUBKRSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@](O)(CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964923 478024966 /nfs/dbraw/zinc/02/49/66/478024966.db2.gz CXSKXNNOQZOLNB-OCCSQVGLSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@](O)(CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964923 478024970 /nfs/dbraw/zinc/02/49/70/478024970.db2.gz CXSKXNNOQZOLNB-OCCSQVGLSA-N 1 3 336.423 2.863 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000494652515 478034927 /nfs/dbraw/zinc/03/49/27/478034927.db2.gz ITFKWHSLIJKKCO-WOJBJXKFSA-N 1 3 343.515 2.718 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CC1=O ZINC000421353384 478047350 /nfs/dbraw/zinc/04/73/50/478047350.db2.gz PKSNMPRSAIOYFS-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000494704781 478049120 /nfs/dbraw/zinc/04/91/20/478049120.db2.gz UAEKRTPYZBUGBB-IBGZPJMESA-N 1 3 329.488 2.821 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(C2CCCC2)CC1 ZINC000439969075 478054817 /nfs/dbraw/zinc/05/48/17/478054817.db2.gz SLQNRJHJNRVIIK-LJQANCHMSA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCN(C2CCCC2)CC1 ZINC000439969075 478054821 /nfs/dbraw/zinc/05/48/21/478054821.db2.gz SLQNRJHJNRVIIK-LJQANCHMSA-N 1 3 333.520 2.870 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccccc3OC)CC2)CC1 ZINC000421370269 478058900 /nfs/dbraw/zinc/05/89/00/478058900.db2.gz ICLLKOXBJOGWLE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccccc3OC)CC2)CC1 ZINC000421370269 478058903 /nfs/dbraw/zinc/05/89/03/478058903.db2.gz ICLLKOXBJOGWLE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccccc3OC)CC2)CC1 ZINC000421370269 478058907 /nfs/dbraw/zinc/05/89/07/478058907.db2.gz ICLLKOXBJOGWLE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC(C)N1CCc2nc(CNCC[C@H]3CCC[N@H+](C)C3)sc2C1 ZINC000459724382 478059106 /nfs/dbraw/zinc/05/91/06/478059106.db2.gz ASRSDXYMFYFEPG-OAHLLOKOSA-N 1 3 336.549 2.731 20 0 EFADHO CC(C)N1CCc2nc(CNCC[C@H]3CCC[N@@H+](C)C3)sc2C1 ZINC000459724382 478059113 /nfs/dbraw/zinc/05/91/13/478059113.db2.gz ASRSDXYMFYFEPG-OAHLLOKOSA-N 1 3 336.549 2.731 20 0 EFADHO CC[NH+]1CCC(N2CCCN(C/C=C/c3ccncc3)CC2)CC1 ZINC000421371302 478060108 /nfs/dbraw/zinc/06/01/08/478060108.db2.gz JLVGDOFNFYXJBR-HWKANZROSA-N 1 3 328.504 2.587 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000533294989 478060495 /nfs/dbraw/zinc/06/04/95/478060495.db2.gz RHYAAFQUJPHLTE-IAGOWNOFSA-N 1 3 329.488 2.629 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000459729322 478061517 /nfs/dbraw/zinc/06/15/17/478061517.db2.gz IZQLMGSNPTXELY-LBPRGKRZSA-N 1 3 342.386 2.838 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000459729322 478061526 /nfs/dbraw/zinc/06/15/26/478061526.db2.gz IZQLMGSNPTXELY-LBPRGKRZSA-N 1 3 342.386 2.838 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(F)cc(OC)c3)CC2)CC1 ZINC000421374575 478062267 /nfs/dbraw/zinc/06/22/67/478062267.db2.gz NXGXPBCJWOAVAW-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO Cc1c([C@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000517229789 478066483 /nfs/dbraw/zinc/06/64/83/478066483.db2.gz OXLHLHGORADNEG-GXTWGEPZSA-N 1 3 333.867 2.879 20 0 EFADHO CON1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000421397098 478072008 /nfs/dbraw/zinc/07/20/08/478072008.db2.gz LIIOUBYSTYADSJ-SESVDKBCSA-N 1 3 343.515 2.903 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000440191427 478088145 /nfs/dbraw/zinc/08/81/45/478088145.db2.gz TYSHOVSYJLGJEF-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000440191427 478088154 /nfs/dbraw/zinc/08/81/54/478088154.db2.gz TYSHOVSYJLGJEF-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N(CCN(C)C)C(C)C)[NH+]1CCCC1 ZINC000440199667 478089986 /nfs/dbraw/zinc/08/99/86/478089986.db2.gz CQUQFQVTGVMRRD-GOSISDBHSA-N 1 3 340.556 2.869 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000440253163 478097067 /nfs/dbraw/zinc/09/70/67/478097067.db2.gz VHNWXKDFNSEITQ-SFHVURJKSA-N 1 3 348.535 2.879 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000440253163 478097079 /nfs/dbraw/zinc/09/70/79/478097079.db2.gz VHNWXKDFNSEITQ-SFHVURJKSA-N 1 3 348.535 2.879 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000560535326 478107527 /nfs/dbraw/zinc/10/75/27/478107527.db2.gz ZLSUIOUSGSCJLI-HNNXBMFYSA-N 1 3 339.474 2.902 20 0 EFADHO C[C@@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000560547204 478109152 /nfs/dbraw/zinc/10/91/52/478109152.db2.gz ODRWISFEPDQYIE-INIZCTEOSA-N 1 3 335.467 2.511 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534345418 478149065 /nfs/dbraw/zinc/14/90/65/478149065.db2.gz XWRCDKNBWHVKKK-UHFFFAOYSA-N 1 3 331.439 2.713 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534345418 478149069 /nfs/dbraw/zinc/14/90/69/478149069.db2.gz XWRCDKNBWHVKKK-UHFFFAOYSA-N 1 3 331.439 2.713 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433136 478149817 /nfs/dbraw/zinc/14/98/17/478149817.db2.gz NAFKOLZEWUTAQS-IRXDYDNUSA-N 1 3 327.582 2.914 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488502201 478155852 /nfs/dbraw/zinc/15/58/52/478155852.db2.gz RXWZVQBVBSHJIM-MLYOOKFZSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488502201 478155857 /nfs/dbraw/zinc/15/58/57/478155857.db2.gz RXWZVQBVBSHJIM-MLYOOKFZSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000488502200 478156171 /nfs/dbraw/zinc/15/61/71/478156171.db2.gz RXWZVQBVBSHJIM-LXZJYRNTSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000488502200 478156175 /nfs/dbraw/zinc/15/61/75/478156175.db2.gz RXWZVQBVBSHJIM-LXZJYRNTSA-N 1 3 343.515 2.886 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NCC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000561173862 478160554 /nfs/dbraw/zinc/16/05/54/478160554.db2.gz BHQHHAHFDFXAAL-SFHVURJKSA-N 1 3 344.503 2.640 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000488567027 478162089 /nfs/dbraw/zinc/16/20/89/478162089.db2.gz YQNFJGZCSAAIKY-NRFANRHFSA-N 1 3 344.547 2.601 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000488567027 478162095 /nfs/dbraw/zinc/16/20/95/478162095.db2.gz YQNFJGZCSAAIKY-NRFANRHFSA-N 1 3 344.547 2.601 20 0 EFADHO CN1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000561192346 478164355 /nfs/dbraw/zinc/16/43/55/478164355.db2.gz OYKNEGJERISZGO-BZSNNMDCSA-N 1 3 344.503 2.509 20 0 EFADHO CCN(C(=O)NCCC[NH2+]C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000561208477 478166908 /nfs/dbraw/zinc/16/69/08/478166908.db2.gz HSQXFGMVTMRGQT-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495311070 478169271 /nfs/dbraw/zinc/16/92/71/478169271.db2.gz ASWNUOBYUNQLRX-LSDHHAIUSA-N 1 3 327.513 2.952 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495311070 478169275 /nfs/dbraw/zinc/16/92/75/478169275.db2.gz ASWNUOBYUNQLRX-LSDHHAIUSA-N 1 3 327.513 2.952 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000561283658 478174350 /nfs/dbraw/zinc/17/43/50/478174350.db2.gz UJIWKLMFWVNVNU-CQSZACIVSA-N 1 3 334.851 2.910 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000562179730 478217819 /nfs/dbraw/zinc/21/78/19/478217819.db2.gz YYIUZOWLGQEITO-IBGZPJMESA-N 1 3 346.519 2.807 20 0 EFADHO O[C@@H]1CCN(Cc2cccc(NC3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000562281823 478226911 /nfs/dbraw/zinc/22/69/11/478226911.db2.gz PLVCLOPSNDURJK-HXUWFJFHSA-N 1 3 329.488 2.540 20 0 EFADHO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000495553354 478227940 /nfs/dbraw/zinc/22/79/40/478227940.db2.gz AGZQOCZKQMYZPV-CVEARBPZSA-N 1 3 337.508 2.850 20 0 EFADHO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000495553355 478228075 /nfs/dbraw/zinc/22/80/75/478228075.db2.gz AGZQOCZKQMYZPV-HOTGVXAUSA-N 1 3 337.508 2.850 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000519631848 478243669 /nfs/dbraw/zinc/24/36/69/478243669.db2.gz AMQFLIOLAQDQFQ-IYWMVGAKSA-N 1 3 340.471 2.723 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000519678908 478248303 /nfs/dbraw/zinc/24/83/03/478248303.db2.gz DJBCTQZWFDLASO-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000579341929 478273320 /nfs/dbraw/zinc/27/33/20/478273320.db2.gz GGKVBIPRBTVNLW-TZMCWYRMSA-N 1 3 339.867 2.655 20 0 EFADHO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000536855601 478277008 /nfs/dbraw/zinc/27/70/08/478277008.db2.gz AYFJTMAFMVBFJE-OALUTQOASA-N 1 3 331.504 2.892 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccc(F)c(F)c2)C1 ZINC000489857765 478278661 /nfs/dbraw/zinc/27/86/61/478278661.db2.gz ROLYQFWEGZQJFW-INIZCTEOSA-N 1 3 326.431 2.940 20 0 EFADHO CC(C)(CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000570086698 478280539 /nfs/dbraw/zinc/28/05/39/478280539.db2.gz FAYLANPXAALDTL-IEBWSBKVSA-N 1 3 343.515 2.847 20 0 EFADHO [NH3+]CCC[C@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000570143914 478292606 /nfs/dbraw/zinc/29/26/06/478292606.db2.gz FSOYTZHNCQTUCP-SFHVURJKSA-N 1 3 325.460 2.647 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495745231 478296925 /nfs/dbraw/zinc/29/69/25/478296925.db2.gz JSYLSRXQTBKEGE-HUUCEWRRSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2cccc(C)c2)c1 ZINC000579463489 478303909 /nfs/dbraw/zinc/30/39/09/478303909.db2.gz VQEIZIXTBLIPOH-FQEVSTJZSA-N 1 3 342.483 2.976 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2cccc(C)c2)c1 ZINC000579463489 478303912 /nfs/dbraw/zinc/30/39/12/478303912.db2.gz VQEIZIXTBLIPOH-FQEVSTJZSA-N 1 3 342.483 2.976 20 0 EFADHO COc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000579473025 478306764 /nfs/dbraw/zinc/30/67/64/478306764.db2.gz BPUCQVKZFBALOQ-GJZGRUSLSA-N 1 3 329.444 2.885 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000562670563 478308099 /nfs/dbraw/zinc/30/80/99/478308099.db2.gz GKSRLQSSQUBCCN-MRXNPFEDSA-N 1 3 346.519 2.760 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000520419693 478309581 /nfs/dbraw/zinc/30/95/81/478309581.db2.gz LKYOSCNBJZETLV-HLIPFELVSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000520419693 478309588 /nfs/dbraw/zinc/30/95/88/478309588.db2.gz LKYOSCNBJZETLV-HLIPFELVSA-N 1 3 329.488 2.640 20 0 EFADHO CN1CC[NH+](CCCCN[C@H](c2ccccc2)c2ccccn2)CC1 ZINC000537606670 478317176 /nfs/dbraw/zinc/31/71/76/478317176.db2.gz LHWJEOVARQELMY-OAQYLSRUSA-N 1 3 338.499 2.788 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000490499080 478345892 /nfs/dbraw/zinc/34/58/92/478345892.db2.gz MXAXFWPMGPKHDT-UXPWSPDFSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000490499080 478345901 /nfs/dbraw/zinc/34/59/01/478345901.db2.gz MXAXFWPMGPKHDT-UXPWSPDFSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 ZINC000570383222 478347952 /nfs/dbraw/zinc/34/79/52/478347952.db2.gz HVNIKMNKXXYIQJ-HOTGVXAUSA-N 1 3 344.503 2.722 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000562809648 478357153 /nfs/dbraw/zinc/35/71/53/478357153.db2.gz OWBKMSJQNKUPBM-UHOSZYNNSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000562811297 478357352 /nfs/dbraw/zinc/35/73/52/478357352.db2.gz XJIHRVLZLLQREW-SZMVWBNQSA-N 1 3 344.503 2.509 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000570425240 478357953 /nfs/dbraw/zinc/35/79/53/478357953.db2.gz NLVYUHXDIUYZIP-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000570425240 478357958 /nfs/dbraw/zinc/35/79/58/478357958.db2.gz NLVYUHXDIUYZIP-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1C ZINC000570443990 478360093 /nfs/dbraw/zinc/36/00/93/478360093.db2.gz HVBHBIGOIFPSFT-BEFAXECRSA-N 1 3 334.504 2.673 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000581556185 478386236 /nfs/dbraw/zinc/38/62/36/478386236.db2.gz VMKUGIDXDZSHND-XFKAJCMBSA-N 1 3 349.906 2.584 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000495887949 478388681 /nfs/dbraw/zinc/38/86/81/478388681.db2.gz VFLANVBCYRTTKL-PMPSAXMXSA-N 1 3 325.497 2.549 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000495887949 478388683 /nfs/dbraw/zinc/38/86/83/478388683.db2.gz VFLANVBCYRTTKL-PMPSAXMXSA-N 1 3 325.497 2.549 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H](CC1CC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000581602106 478398635 /nfs/dbraw/zinc/39/86/35/478398635.db2.gz ZTPLNGUENNWERB-IRXDYDNUSA-N 1 3 341.421 2.954 20 0 EFADHO COC[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000562984167 478401519 /nfs/dbraw/zinc/40/15/19/478401519.db2.gz DCPBSBGUTFIFDP-IBGZPJMESA-N 1 3 328.456 2.512 20 0 EFADHO CN(C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000495914699 478405826 /nfs/dbraw/zinc/40/58/26/478405826.db2.gz UVTFSTYWDVIPBY-JGMOWJEZSA-N 1 3 349.519 2.800 20 0 EFADHO CN(C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000495914699 478405833 /nfs/dbraw/zinc/40/58/33/478405833.db2.gz UVTFSTYWDVIPBY-JGMOWJEZSA-N 1 3 349.519 2.800 20 0 EFADHO CCN(C(=O)CN1CCC(CC[NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000570637939 478405877 /nfs/dbraw/zinc/40/58/77/478405877.db2.gz DIMJMYIKOOHMBM-OAHLLOKOSA-N 1 3 335.467 2.796 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)c1 ZINC000562989463 478406528 /nfs/dbraw/zinc/40/65/28/478406528.db2.gz KYAQEHGZBRXFNY-HRCADAONSA-N 1 3 340.895 2.851 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000581668216 478415727 /nfs/dbraw/zinc/41/57/27/478415727.db2.gz CQRUOTCNXKXMGJ-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581668216 478415735 /nfs/dbraw/zinc/41/57/35/478415735.db2.gz CQRUOTCNXKXMGJ-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000581668215 478416838 /nfs/dbraw/zinc/41/68/38/478416838.db2.gz CQRUOTCNXKXMGJ-MISYRCLQSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581668215 478416846 /nfs/dbraw/zinc/41/68/46/478416846.db2.gz CQRUOTCNXKXMGJ-MISYRCLQSA-N 1 3 343.515 2.888 20 0 EFADHO CCOC(=O)c1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000590965080 478420239 /nfs/dbraw/zinc/42/02/39/478420239.db2.gz XRDQIBGYLACZTL-UHFFFAOYSA-N 1 3 329.400 2.610 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCc3cnn(C)c3)C2)s1 ZINC000570728178 478430252 /nfs/dbraw/zinc/43/02/52/478430252.db2.gz YZUHDFDJQFHSDJ-QGZVFWFLSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCc3cnn(C)c3)C2)s1 ZINC000570728178 478430259 /nfs/dbraw/zinc/43/02/59/478430259.db2.gz YZUHDFDJQFHSDJ-QGZVFWFLSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1cc(C)c(C(=O)NC2CC[NH+](CC[C@@H]3CCCN3C)CC2)o1 ZINC000527578646 478435793 /nfs/dbraw/zinc/43/57/93/478435793.db2.gz YLPTUKVMXNCHGZ-KRWDZBQOSA-N 1 3 333.476 2.575 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000563091182 478446965 /nfs/dbraw/zinc/44/69/65/478446965.db2.gz WSKHXUJWQXBGFJ-MRXNPFEDSA-N 1 3 344.503 2.503 20 0 EFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1 ZINC000581879333 478458158 /nfs/dbraw/zinc/45/81/58/478458158.db2.gz DFSDJCGAOAZEGM-FQEVSTJZSA-N 1 3 340.467 2.812 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495983761 478458842 /nfs/dbraw/zinc/45/88/42/478458842.db2.gz SHDQGNYRTSWHOO-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000540192736 478466056 /nfs/dbraw/zinc/46/60/56/478466056.db2.gz OMNARNJTNUCQCG-UIFIKXQLSA-N 1 3 329.532 2.999 20 0 EFADHO CC(C)C[C@H](C[NH2+]CC1=CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000496004751 478472175 /nfs/dbraw/zinc/47/21/75/478472175.db2.gz YLWZANBWAXETTG-MRXNPFEDSA-N 1 3 325.497 2.777 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000563192651 478475788 /nfs/dbraw/zinc/47/57/88/478475788.db2.gz GKXZJHNVUQYDBB-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000563192651 478475795 /nfs/dbraw/zinc/47/57/95/478475795.db2.gz GKXZJHNVUQYDBB-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000563192650 478476554 /nfs/dbraw/zinc/47/65/54/478476554.db2.gz GKXZJHNVUQYDBB-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000563192650 478476560 /nfs/dbraw/zinc/47/65/60/478476560.db2.gz GKXZJHNVUQYDBB-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2F)c1 ZINC000570920380 478479597 /nfs/dbraw/zinc/47/95/97/478479597.db2.gz JFEVENBPEAABAW-SFHVURJKSA-N 1 3 346.446 2.807 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2F)c1 ZINC000570920380 478479607 /nfs/dbraw/zinc/47/96/07/478479607.db2.gz JFEVENBPEAABAW-SFHVURJKSA-N 1 3 346.446 2.807 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3ccccc3)CC2)CC1 ZINC000581982457 478480116 /nfs/dbraw/zinc/48/01/16/478480116.db2.gz BPRLEQDMCJKJLH-UHFFFAOYSA-N 1 3 329.488 2.846 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000496014022 478481265 /nfs/dbraw/zinc/48/12/65/478481265.db2.gz KHJJRLGCSFNNOM-IXDOHACOSA-N 1 3 339.524 2.953 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000591198207 478487984 /nfs/dbraw/zinc/48/79/84/478487984.db2.gz PIHRGGYASRALQA-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H](CCc1ccccc1F)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000570951087 478488350 /nfs/dbraw/zinc/48/83/50/478488350.db2.gz TXCUBWCOOWQWNP-QGZVFWFLSA-N 1 3 349.494 2.729 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000563263750 478498965 /nfs/dbraw/zinc/49/89/65/478498965.db2.gz RIHMIABDZNGBMV-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000563263750 478498974 /nfs/dbraw/zinc/49/89/74/478498974.db2.gz RIHMIABDZNGBMV-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000563345357 478523461 /nfs/dbraw/zinc/52/34/61/478523461.db2.gz BXFBEBWHALSASH-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[C@H](N)Cc1ccccc1 ZINC000582180121 478533209 /nfs/dbraw/zinc/53/32/09/478533209.db2.gz WZGMLMDIOLZEKQ-XUVXKRRUSA-N 1 3 345.531 2.963 20 0 EFADHO CC(C)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000563370677 478535329 /nfs/dbraw/zinc/53/53/29/478535329.db2.gz YMKINHANOJFFRG-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000563370677 478535338 /nfs/dbraw/zinc/53/53/38/478535338.db2.gz YMKINHANOJFFRG-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527825737 478538240 /nfs/dbraw/zinc/53/82/40/478538240.db2.gz TZXWNJHRJCGMLY-KBAYOESNSA-N 1 3 336.524 2.565 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3Cc4ccccc4C3)CC2)CC1 ZINC000563375747 478539788 /nfs/dbraw/zinc/53/97/88/478539788.db2.gz FSYQPQOPWNPTDI-UHFFFAOYSA-N 1 3 341.499 2.725 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000582237305 478546421 /nfs/dbraw/zinc/54/64/21/478546421.db2.gz UIQQITLOTIBXJH-MRXNPFEDSA-N 1 3 342.405 2.782 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000582237305 478546422 /nfs/dbraw/zinc/54/64/22/478546422.db2.gz UIQQITLOTIBXJH-MRXNPFEDSA-N 1 3 342.405 2.782 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000563423777 478557295 /nfs/dbraw/zinc/55/72/95/478557295.db2.gz JBIBJTJHHUJULP-RKVPGOIHSA-N 1 3 337.895 2.573 20 0 EFADHO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000563442872 478560996 /nfs/dbraw/zinc/56/09/96/478560996.db2.gz BCTIQQDBLCLJRZ-PKOBYXMFSA-N 1 3 333.520 2.917 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COCc1ccccc1F)N1CCCCC1 ZINC000571315423 478570104 /nfs/dbraw/zinc/57/01/04/478570104.db2.gz CCCLNUAAZKIIJP-FUHWJXTLSA-N 1 3 338.467 2.557 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc2c1CCNC2 ZINC000563499233 478571058 /nfs/dbraw/zinc/57/10/58/478571058.db2.gz RKOXKGGTKWDDIM-UHFFFAOYSA-N 1 3 330.476 2.672 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000571399662 478588261 /nfs/dbraw/zinc/58/82/61/478588261.db2.gz CXAZTRKSTPMONS-WMZOPIPTSA-N 1 3 349.544 2.984 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000527967709 478592756 /nfs/dbraw/zinc/59/27/56/478592756.db2.gz JPZWCPBXHZHZAN-QQTQMKHKSA-N 1 3 331.504 2.588 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000527967709 478592762 /nfs/dbraw/zinc/59/27/62/478592762.db2.gz JPZWCPBXHZHZAN-QQTQMKHKSA-N 1 3 331.504 2.588 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OCC(F)(F)F ZINC000491595483 478596933 /nfs/dbraw/zinc/59/69/33/478596933.db2.gz ALZODFYCAXVMEZ-GFCCVEGCSA-N 1 3 334.382 2.924 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000571437471 478597115 /nfs/dbraw/zinc/59/71/15/478597115.db2.gz XPGSHOAKOGGYHB-OQIJWPOYSA-N 1 3 329.488 2.846 20 0 EFADHO COc1cc(C[NH2+]C[C@H](C)CN(C)C)ccc1OCC(F)(F)F ZINC000491595484 478597564 /nfs/dbraw/zinc/59/75/64/478597564.db2.gz ALZODFYCAXVMEZ-LBPRGKRZSA-N 1 3 334.382 2.924 20 0 EFADHO OC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CC1 ZINC000582456278 478600183 /nfs/dbraw/zinc/60/01/83/478600183.db2.gz KHGTZNXLGPYKQA-UWHLTILDSA-N 1 3 328.500 2.895 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)CC(C)C ZINC000594967926 478609722 /nfs/dbraw/zinc/60/97/22/478609722.db2.gz RAZMUXHWVATLHW-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727444 478614334 /nfs/dbraw/zinc/61/43/34/478614334.db2.gz VQLNFABIEJPIKD-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727444 478614340 /nfs/dbraw/zinc/61/43/40/478614340.db2.gz VQLNFABIEJPIKD-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO [NH3+]CCCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000571521046 478615867 /nfs/dbraw/zinc/61/58/67/478615867.db2.gz QPGKSLIDDHGKSB-HXUWFJFHSA-N 1 3 329.488 2.630 20 0 EFADHO CCN(C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000571535312 478620202 /nfs/dbraw/zinc/62/02/02/478620202.db2.gz MGYHJYDEBLJQDY-OALUTQOASA-N 1 3 334.504 2.573 20 0 EFADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759484 478622121 /nfs/dbraw/zinc/62/21/21/478622121.db2.gz UBWCWMZWCBCCTK-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759484 478622127 /nfs/dbraw/zinc/62/21/27/478622127.db2.gz UBWCWMZWCBCCTK-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759484 478622135 /nfs/dbraw/zinc/62/21/35/478622135.db2.gz UBWCWMZWCBCCTK-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000571561364 478625313 /nfs/dbraw/zinc/62/53/13/478625313.db2.gz WQVBNIURICFAGV-KGLIPLIRSA-N 1 3 329.444 2.742 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC000563727001 478625422 /nfs/dbraw/zinc/62/54/22/478625422.db2.gz QUJHBYWVEGJBBI-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](CNCCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000563805182 478635612 /nfs/dbraw/zinc/63/56/12/478635612.db2.gz BKLUHRXKJZNWAW-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)CN1CCCC1 ZINC000563805182 478635622 /nfs/dbraw/zinc/63/56/22/478635622.db2.gz BKLUHRXKJZNWAW-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@@H]([NH2+]C1(C2CC2)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000542527807 478660709 /nfs/dbraw/zinc/66/07/09/478660709.db2.gz YJZGYRAEJSSKRM-MRXNPFEDSA-N 1 3 341.499 2.688 20 0 EFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C(C)(C)N)cc1 ZINC000571749198 478669056 /nfs/dbraw/zinc/66/90/56/478669056.db2.gz SMPXDRNLRYUVJU-UHFFFAOYSA-N 1 3 325.456 2.769 20 0 EFADHO Fc1ccc([C@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571754967 478669647 /nfs/dbraw/zinc/66/96/47/478669647.db2.gz BZQWZESYKCSVTN-SJORKVTESA-N 1 3 343.450 2.837 20 0 EFADHO COC(=O)c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c[nH]1 ZINC000601137962 478681874 /nfs/dbraw/zinc/68/18/74/478681874.db2.gz LBOBTAKWVATSRF-YJBOKZPZSA-N 1 3 341.455 2.659 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780055 478682404 /nfs/dbraw/zinc/68/24/04/478682404.db2.gz DXPOQNRYNXXIPK-OXJNMPFZSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780055 478682407 /nfs/dbraw/zinc/68/24/07/478682407.db2.gz DXPOQNRYNXXIPK-OXJNMPFZSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780055 478682415 /nfs/dbraw/zinc/68/24/15/478682415.db2.gz DXPOQNRYNXXIPK-OXJNMPFZSA-N 1 3 340.467 2.653 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000542845966 478700269 /nfs/dbraw/zinc/70/02/69/478700269.db2.gz GORAYPVRLGNDJL-WOJBJXKFSA-N 1 3 332.488 2.548 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](CC2(C)CC2)CC1)Cc1ccccc1 ZINC000582881302 478709243 /nfs/dbraw/zinc/70/92/43/478709243.db2.gz GDTZYXNNFLEILI-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CCN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000491862740 478712613 /nfs/dbraw/zinc/71/26/13/478712613.db2.gz CZEBWVVLFLTEEV-QVIVTLILSA-N 1 3 329.488 2.788 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000582899751 478713643 /nfs/dbraw/zinc/71/36/43/478713643.db2.gz FQFYPTIDXAMYQA-FXAWDEMLSA-N 1 3 334.504 2.938 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000582899751 478713646 /nfs/dbraw/zinc/71/36/46/478713646.db2.gz FQFYPTIDXAMYQA-FXAWDEMLSA-N 1 3 334.504 2.938 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H](C)[C@H]3C)CC2)CC1 ZINC000564352461 478730816 /nfs/dbraw/zinc/73/08/16/478730816.db2.gz SHIDBTSFQGSBHM-YESZJQIVSA-N 1 3 335.536 2.686 20 0 EFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC(=O)N(C)C1 ZINC000582972671 478731911 /nfs/dbraw/zinc/73/19/11/478731911.db2.gz HYDFCFGWMWKQBU-IBGZPJMESA-N 1 3 329.488 2.725 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)C[C@@H]2C)CC1 ZINC000564505969 478751574 /nfs/dbraw/zinc/75/15/74/478751574.db2.gz OZZIQYQWXICORF-WMZOPIPTSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000572114856 478754899 /nfs/dbraw/zinc/75/48/99/478754899.db2.gz LSEFNBNSRXCWHW-MOPGFXCFSA-N 1 3 334.504 2.897 20 0 EFADHO C/C(Cl)=C/CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000528420579 478763539 /nfs/dbraw/zinc/76/35/39/478763539.db2.gz LJYAJUROQLXOIH-SOFYXZRVSA-N 1 3 341.927 2.833 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000499126484 478773565 /nfs/dbraw/zinc/77/35/65/478773565.db2.gz LLJQOLCZVPGYTD-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO c1ccc(N2CCN(CCCSCC3CC[NH2+]CC3)CC2)cc1 ZINC000564655599 478778227 /nfs/dbraw/zinc/77/82/27/478778227.db2.gz RIPSZYBSWQECLU-UHFFFAOYSA-N 1 3 333.545 2.932 20 0 EFADHO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749160 478780715 /nfs/dbraw/zinc/78/07/15/478780715.db2.gz YBBPGMNVZVYCNN-ROUUACIJSA-N 1 3 345.531 2.810 20 0 EFADHO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749160 478780725 /nfs/dbraw/zinc/78/07/25/478780725.db2.gz YBBPGMNVZVYCNN-ROUUACIJSA-N 1 3 345.531 2.810 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572231057 478781499 /nfs/dbraw/zinc/78/14/99/478781499.db2.gz HUKQTDQMYJKQIQ-OWCLPIDISA-N 1 3 335.452 2.597 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000543755048 478783324 /nfs/dbraw/zinc/78/33/24/478783324.db2.gz PRYJONSAIKMILG-IRXDYDNUSA-N 1 3 343.519 2.688 20 0 EFADHO COC(=O)[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C ZINC000592128872 478788265 /nfs/dbraw/zinc/78/82/65/478788265.db2.gz RAZAIOMMDYCKSL-VQIMIIECSA-N 1 3 330.472 2.913 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500591701 478792937 /nfs/dbraw/zinc/79/29/37/478792937.db2.gz MHICGCXEUJFMPV-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500591701 478792944 /nfs/dbraw/zinc/79/29/44/478792944.db2.gz MHICGCXEUJFMPV-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000601338760 478793344 /nfs/dbraw/zinc/79/33/44/478793344.db2.gz ISVCUANZPHSGSI-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000492036878 478793724 /nfs/dbraw/zinc/79/37/24/478793724.db2.gz AXALEGPZJWSSRK-PNWMKBJFSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000492036878 478793731 /nfs/dbraw/zinc/79/37/31/478793731.db2.gz AXALEGPZJWSSRK-PNWMKBJFSA-N 1 3 341.499 2.619 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000564726310 478796038 /nfs/dbraw/zinc/79/60/38/478796038.db2.gz OGMVODZDCWIPIF-SXLOBPIMSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)c1 ZINC000544017958 478802776 /nfs/dbraw/zinc/80/27/76/478802776.db2.gz PMUUNEUJERRHBO-KRWDZBQOSA-N 1 3 347.503 2.537 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(SC2CC2)cc1 ZINC000544038374 478805898 /nfs/dbraw/zinc/80/58/98/478805898.db2.gz UAXNFASYFZRIGY-UHFFFAOYSA-N 1 3 335.517 2.507 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CC3Cc4ccccc4C3)CC2)CC1 ZINC000564777659 478807855 /nfs/dbraw/zinc/80/78/55/478807855.db2.gz WWTGOCBJWDUZFW-UHFFFAOYSA-N 1 3 341.543 2.751 20 0 EFADHO [NH3+]Cc1ccc(CNCc2ccc(OC[C@H]3CCCO3)cc2)cc1 ZINC000564798608 478813802 /nfs/dbraw/zinc/81/38/02/478813802.db2.gz LLRJGJNHWONYIC-HXUWFJFHSA-N 1 3 326.440 2.993 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1 ZINC000572364838 478818819 /nfs/dbraw/zinc/81/88/19/478818819.db2.gz YKSGQVQXVXJJGI-CQSZACIVSA-N 1 3 327.428 2.661 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000564845821 478828379 /nfs/dbraw/zinc/82/83/79/478828379.db2.gz DDMJJZKEOBFGTD-IBGZPJMESA-N 1 3 334.504 2.753 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000564845822 478828399 /nfs/dbraw/zinc/82/83/99/478828399.db2.gz DDMJJZKEOBFGTD-LJQANCHMSA-N 1 3 334.504 2.753 20 0 EFADHO CCOc1cc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)ccc1OC ZINC000583369266 478834632 /nfs/dbraw/zinc/83/46/32/478834632.db2.gz JQALHZQFKJLWMG-MJGOQNOKSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494742 478850507 /nfs/dbraw/zinc/85/05/07/478850507.db2.gz LNYBVWBQXWWIJS-XHSDSOJGSA-N 1 3 344.503 2.820 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494742 478850514 /nfs/dbraw/zinc/85/05/14/478850514.db2.gz LNYBVWBQXWWIJS-XHSDSOJGSA-N 1 3 344.503 2.820 20 0 EFADHO [NH3+]Cc1cc(NC(=O)[C@H]2CNCc3ccccc32)cc(C(F)(F)F)c1 ZINC000564949414 478867789 /nfs/dbraw/zinc/86/77/89/478867789.db2.gz JLYQKBSCPNQAQH-INIZCTEOSA-N 1 3 349.356 2.990 20 0 EFADHO FC(F)c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000572583704 478871176 /nfs/dbraw/zinc/87/11/76/478871176.db2.gz GEEBRERWGOXSHD-CYBMUJFWSA-N 1 3 337.336 2.550 20 0 EFADHO CCc1nncn1CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000583605134 478887872 /nfs/dbraw/zinc/88/78/72/478887872.db2.gz MNQRFURZPXTYOH-QGZVFWFLSA-N 1 3 341.503 2.526 20 0 EFADHO COCCN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000507156785 478905759 /nfs/dbraw/zinc/90/57/59/478905759.db2.gz VCIAKYASGRUAOY-UHFFFAOYSA-N 1 3 331.504 2.828 20 0 EFADHO CSCC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nnc2ccccn21 ZINC000592469502 478906063 /nfs/dbraw/zinc/90/60/63/478906063.db2.gz RYNLZXXMPJNNML-FPCVCCKLSA-N 1 3 345.516 2.501 20 0 EFADHO C[C@@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000572749608 478911794 /nfs/dbraw/zinc/91/17/94/478911794.db2.gz YOLOSVKIDUTYJK-NXEZZACHSA-N 1 3 336.789 2.753 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CCCC[NH3+] ZINC000583691811 478918078 /nfs/dbraw/zinc/91/80/78/478918078.db2.gz POVRSYXEZFXJPZ-GOSISDBHSA-N 1 3 331.504 2.705 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000565168620 478933714 /nfs/dbraw/zinc/93/37/14/478933714.db2.gz AZEXSRJDKKTGNS-UHFFFAOYSA-N 1 3 331.504 2.785 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508843371 478943229 /nfs/dbraw/zinc/94/32/29/478943229.db2.gz FCFUINJFQIBZSD-NZSAHSFTSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000508843371 478943231 /nfs/dbraw/zinc/94/32/31/478943231.db2.gz FCFUINJFQIBZSD-NZSAHSFTSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000510683522 478970719 /nfs/dbraw/zinc/97/07/19/478970719.db2.gz GRDHPDLDTVQQFZ-HOTGVXAUSA-N 1 3 340.458 2.968 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC34CCC4)CC2)CC1 ZINC000565313724 478978530 /nfs/dbraw/zinc/97/85/30/478978530.db2.gz DGBQZAVDOJCRLI-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000583989708 478987332 /nfs/dbraw/zinc/98/73/32/478987332.db2.gz NPSLPXRGPVEUJR-VHDGCEQUSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000583989708 478987339 /nfs/dbraw/zinc/98/73/39/478987339.db2.gz NPSLPXRGPVEUJR-VHDGCEQUSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000573126558 478998711 /nfs/dbraw/zinc/99/87/11/478998711.db2.gz VBPZSKMGYZLFKE-LPHOPBHVSA-N 1 3 344.503 2.592 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(F)cc1 ZINC000584047487 479004206 /nfs/dbraw/zinc/00/42/06/479004206.db2.gz GUPISGBORJSJKA-NZUILWFCSA-N 1 3 343.450 2.754 20 0 EFADHO CC1CCC(O)(C[NH2+]CCc2ccc(OCCN(C)C)cc2)CC1 ZINC000565476235 479015040 /nfs/dbraw/zinc/01/50/40/479015040.db2.gz MMIYGVHVLZBVJH-UHFFFAOYSA-N 1 3 334.504 2.700 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000595826081 479018858 /nfs/dbraw/zinc/01/88/58/479018858.db2.gz RMBYZANYZFECFM-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000595826081 479018863 /nfs/dbraw/zinc/01/88/63/479018863.db2.gz RMBYZANYZFECFM-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000565490632 479020598 /nfs/dbraw/zinc/02/05/98/479020598.db2.gz KVRNIVVNVUJGQK-ACZWYYKOSA-N 1 3 331.504 2.655 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000514588725 479028282 /nfs/dbraw/zinc/02/82/82/479028282.db2.gz UICBFOPKFPLOMH-RBUKOAKNSA-N 1 3 334.508 2.628 20 0 EFADHO C[C@@]1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000514590189 479028722 /nfs/dbraw/zinc/02/87/22/479028722.db2.gz PLVPVEGVGDGGJU-AZUAARDMSA-N 1 3 344.503 2.512 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H](N)C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000514601263 479031893 /nfs/dbraw/zinc/03/18/93/479031893.db2.gz ZUHXECHDELAIQC-ATZDWAIDSA-N 1 3 331.504 2.996 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000565557872 479035720 /nfs/dbraw/zinc/03/57/20/479035720.db2.gz SZKRJCQSZFGDTE-VQIMIIECSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000573319643 479040266 /nfs/dbraw/zinc/04/02/66/479040266.db2.gz WKHGOMHBWYVXPT-ARFHVFGLSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000573385777 479054889 /nfs/dbraw/zinc/05/48/89/479054889.db2.gz JFQBDSRVRKZYDS-FXAWDEMLSA-N 1 3 343.515 2.575 20 0 EFADHO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000595894725 479056722 /nfs/dbraw/zinc/05/67/22/479056722.db2.gz YVPRBJRYJNVXSF-FQEVSTJZSA-N 1 3 330.472 2.744 20 0 EFADHO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000595894725 479056730 /nfs/dbraw/zinc/05/67/30/479056730.db2.gz YVPRBJRYJNVXSF-FQEVSTJZSA-N 1 3 330.472 2.744 20 0 EFADHO COc1cc(CN2CC[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)cc(OC)c1 ZINC000565710589 479067869 /nfs/dbraw/zinc/06/78/69/479067869.db2.gz VQAVRXKKWACZBO-PWIZWCRZSA-N 1 3 347.503 2.528 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000514848163 479076373 /nfs/dbraw/zinc/07/63/73/479076373.db2.gz ITQSZKZDNWDCGG-IAGOWNOFSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000565764726 479078867 /nfs/dbraw/zinc/07/88/67/479078867.db2.gz ONCMQZIGSXBRGJ-QXAKKESOSA-N 1 3 344.503 2.735 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000584289576 479081574 /nfs/dbraw/zinc/08/15/74/479081574.db2.gz UBKLABJXPICLSH-IEBWSBKVSA-N 1 3 329.488 2.644 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000584289576 479081584 /nfs/dbraw/zinc/08/15/84/479081584.db2.gz UBKLABJXPICLSH-IEBWSBKVSA-N 1 3 329.488 2.644 20 0 EFADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000546934252 479082100 /nfs/dbraw/zinc/08/21/00/479082100.db2.gz UPYZKNFBTFQXDL-HMXCVIKNSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000546934252 479082105 /nfs/dbraw/zinc/08/21/05/479082105.db2.gz UPYZKNFBTFQXDL-HMXCVIKNSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000546934252 479082114 /nfs/dbraw/zinc/08/21/14/479082114.db2.gz UPYZKNFBTFQXDL-HMXCVIKNSA-N 1 3 338.499 2.853 20 0 EFADHO CC(C)c1ccc(OC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000584292343 479084129 /nfs/dbraw/zinc/08/41/29/479084129.db2.gz IOYWDODCEITRFV-UHFFFAOYSA-N 1 3 331.504 2.558 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CCC[C@H]([NH3+])C1 ZINC000573578586 479098348 /nfs/dbraw/zinc/09/83/48/479098348.db2.gz RLKWNQKECVISLI-STQMWFEESA-N 1 3 325.840 2.537 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000573578586 479098354 /nfs/dbraw/zinc/09/83/54/479098354.db2.gz RLKWNQKECVISLI-STQMWFEESA-N 1 3 325.840 2.537 20 0 EFADHO Cc1ncc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000515072822 479116709 /nfs/dbraw/zinc/11/67/09/479116709.db2.gz KPWAUTGJLMSJPK-HOTGVXAUSA-N 1 3 326.488 2.975 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C(=O)OC)n2C)cc1 ZINC000601995573 479122281 /nfs/dbraw/zinc/12/22/81/479122281.db2.gz FGFKLNRQPDJOEZ-UHFFFAOYSA-N 1 3 343.471 2.943 20 0 EFADHO COC(=O)c1ccc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1C ZINC000602004057 479130121 /nfs/dbraw/zinc/13/01/21/479130121.db2.gz JYWQQRKMQXVFCM-HOTGVXAUSA-N 1 3 335.492 2.659 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000573728952 479132291 /nfs/dbraw/zinc/13/22/91/479132291.db2.gz ZMNHUJBRFBDSHH-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000573728952 479132297 /nfs/dbraw/zinc/13/22/97/479132297.db2.gz ZMNHUJBRFBDSHH-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000584480384 479153827 /nfs/dbraw/zinc/15/38/27/479153827.db2.gz ZMGNXWIYRASOHL-MCIONIFRSA-N 1 3 325.403 2.726 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c(C)c1 ZINC000573835334 479154381 /nfs/dbraw/zinc/15/43/81/479154381.db2.gz XDXOVEWABTUZGK-RTBURBONSA-N 1 3 334.504 2.897 20 0 EFADHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000569908939 479205192 /nfs/dbraw/zinc/20/51/92/479205192.db2.gz MBIXHHYNGXDIRW-KRWDZBQOSA-N 1 3 331.504 2.613 20 0 EFADHO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000569908939 479205198 /nfs/dbraw/zinc/20/51/98/479205198.db2.gz MBIXHHYNGXDIRW-KRWDZBQOSA-N 1 3 331.504 2.613 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574071939 479209977 /nfs/dbraw/zinc/20/99/77/479209977.db2.gz OJQRCXJIJMIOGN-OAHLLOKOSA-N 1 3 330.394 2.683 20 0 EFADHO N[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000584770425 479236412 /nfs/dbraw/zinc/23/64/12/479236412.db2.gz RCSPKMNHLPSIAS-MOPGFXCFSA-N 1 3 344.503 2.783 20 0 EFADHO N[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000584770425 479236421 /nfs/dbraw/zinc/23/64/21/479236421.db2.gz RCSPKMNHLPSIAS-MOPGFXCFSA-N 1 3 344.503 2.783 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000584778712 479240000 /nfs/dbraw/zinc/24/00/00/479240000.db2.gz VTJPFJWJLSGGJE-UMVBOHGHSA-N 1 3 326.510 2.556 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccsc1 ZINC000584778711 479240045 /nfs/dbraw/zinc/24/00/45/479240045.db2.gz VTJPFJWJLSGGJE-KCQAQPDRSA-N 1 3 326.510 2.556 20 0 EFADHO CCc1cc(N2CCC(N[C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)ncn1 ZINC000556951965 479242046 /nfs/dbraw/zinc/24/20/46/479242046.db2.gz JCDFNYDUQYMQQE-QFBILLFUSA-N 1 3 345.535 2.908 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000584789833 479245438 /nfs/dbraw/zinc/24/54/38/479245438.db2.gz FUYCYBNTFRYZBW-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000557164555 479261275 /nfs/dbraw/zinc/26/12/75/479261275.db2.gz PGDWZBFIQVWFEV-ZIFCJYIRSA-N 1 3 344.503 2.511 20 0 EFADHO CN1CCC(Oc2ccc(CNC(=O)CCCC[NH+](C)C)cc2)CC1 ZINC000557183835 479263776 /nfs/dbraw/zinc/26/37/76/479263776.db2.gz PYEFVLDYPJAHFP-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccs3)CC2)CC1 ZINC000557438385 479278124 /nfs/dbraw/zinc/27/81/24/479278124.db2.gz NJGUPEHJBVFCQO-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CC[NH2+]CCCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000574424363 479284600 /nfs/dbraw/zinc/28/46/00/479284600.db2.gz VCJATAATYSTSRH-UHFFFAOYSA-N 1 3 348.491 2.672 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000557521130 479285654 /nfs/dbraw/zinc/28/56/54/479285654.db2.gz MDFQRPSDFWXDQU-IRXDYDNUSA-N 1 3 347.503 2.653 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccsc3)CC2)CC1 ZINC000557524765 479285887 /nfs/dbraw/zinc/28/58/87/479285887.db2.gz LZXAPSDAYXACGI-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO COC(=O)CCCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000599416951 479289133 /nfs/dbraw/zinc/28/91/33/479289133.db2.gz ZDRILGKLZWESTO-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000599416951 479289138 /nfs/dbraw/zinc/28/91/38/479289138.db2.gz ZDRILGKLZWESTO-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000574515124 479302094 /nfs/dbraw/zinc/30/20/94/479302094.db2.gz SRPPETMNGMXQSB-HXUWFJFHSA-N 1 3 337.467 2.642 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CNCc3ccccc32)c1 ZINC000574515124 479302101 /nfs/dbraw/zinc/30/21/01/479302101.db2.gz SRPPETMNGMXQSB-HXUWFJFHSA-N 1 3 337.467 2.642 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000574631169 479318742 /nfs/dbraw/zinc/31/87/42/479318742.db2.gz CTNRDRXWYBOQTH-HXUWFJFHSA-N 1 3 346.515 2.985 20 0 EFADHO CC1CCN([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000574741845 479339390 /nfs/dbraw/zinc/33/93/90/479339390.db2.gz CSTDFLJQPJCYLO-RBUKOAKNSA-N 1 3 344.503 2.511 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000574741844 479339681 /nfs/dbraw/zinc/33/96/81/479339681.db2.gz CSTDFLJQPJCYLO-OALUTQOASA-N 1 3 344.503 2.511 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@@H]3N)CC2)oc1C ZINC000574981248 479382615 /nfs/dbraw/zinc/38/26/15/479382615.db2.gz KLDQXGCZMPPBIE-ROUUACIJSA-N 1 3 334.508 2.753 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574987305 479384130 /nfs/dbraw/zinc/38/41/30/479384130.db2.gz RMRJXJBCEJPEBC-BQFCYCMXSA-N 1 3 346.519 2.712 20 0 EFADHO CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602530443 479384313 /nfs/dbraw/zinc/38/43/13/479384313.db2.gz KGLLUPDWBQEFOS-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602530443 479384319 /nfs/dbraw/zinc/38/43/19/479384319.db2.gz KGLLUPDWBQEFOS-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574987308 479384410 /nfs/dbraw/zinc/38/44/10/479384410.db2.gz RMRJXJBCEJPEBC-XYJFISCASA-N 1 3 346.519 2.712 20 0 EFADHO CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602530445 479384807 /nfs/dbraw/zinc/38/48/07/479384807.db2.gz KGLLUPDWBQEFOS-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602530445 479384811 /nfs/dbraw/zinc/38/48/11/479384811.db2.gz KGLLUPDWBQEFOS-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO c1cnn(-c2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)c1 ZINC000603517427 479399103 /nfs/dbraw/zinc/39/91/03/479399103.db2.gz VOEXCAAYUSEYIL-FQEVSTJZSA-N 1 3 340.471 2.605 20 0 EFADHO CCOC(=O)c1cc(CNCC2CC[NH+](CCC(C)C)CC2)on1 ZINC000602565546 479400091 /nfs/dbraw/zinc/40/00/91/479400091.db2.gz RZNZTXVFFDWBNC-UHFFFAOYSA-N 1 3 337.464 2.699 20 0 EFADHO CCc1ccccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000575738406 479463026 /nfs/dbraw/zinc/46/30/26/479463026.db2.gz NLYTWRGIKYZESJ-GOSISDBHSA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccccc1C(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000575738406 479463032 /nfs/dbraw/zinc/46/30/32/479463032.db2.gz NLYTWRGIKYZESJ-GOSISDBHSA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](C)[C@H](C)CC)N(C)C)cc1 ZINC000589206121 479498338 /nfs/dbraw/zinc/49/83/38/479498338.db2.gz VHOGKMFXVQJWLM-APWZRJJASA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](C)[C@H](C)CC)N(C)C)cc1 ZINC000589206121 479498347 /nfs/dbraw/zinc/49/83/47/479498347.db2.gz VHOGKMFXVQJWLM-APWZRJJASA-N 1 3 348.535 2.881 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCC[C@H](N)C2)cc1 ZINC000575935488 479507471 /nfs/dbraw/zinc/50/74/71/479507471.db2.gz UXSFPFVSQKRBLT-RYQLBKOJSA-N 1 3 347.503 2.902 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418255 479516196 /nfs/dbraw/zinc/51/61/96/479516196.db2.gz NTQZQICNRJJZHN-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418255 479516201 /nfs/dbraw/zinc/51/62/01/479516201.db2.gz NTQZQICNRJJZHN-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418255 479516210 /nfs/dbraw/zinc/51/62/10/479516210.db2.gz NTQZQICNRJJZHN-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)C(C)(C)C ZINC000604788897 479571642 /nfs/dbraw/zinc/57/16/42/479571642.db2.gz SUPSXIPWAGQTMC-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CN1C1CC1 ZINC000612106922 479585885 /nfs/dbraw/zinc/58/58/85/479585885.db2.gz SAHXCCUODKRGMO-IMFGXOCKSA-N 1 3 341.499 2.607 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)ccn1 ZINC000578951880 479635640 /nfs/dbraw/zinc/63/56/40/479635640.db2.gz PQIACPUKUDOXPL-WBAXXEDZSA-N 1 3 333.476 2.509 20 0 EFADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615318168 479655835 /nfs/dbraw/zinc/65/58/35/479655835.db2.gz IYDZPUDADKAOHJ-LPHOPBHVSA-N 1 3 329.488 2.837 20 0 EFADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCN1C1CC1)CC2 ZINC000615446124 479674527 /nfs/dbraw/zinc/67/45/27/479674527.db2.gz JIBDLIFBHSPUQG-GOSISDBHSA-N 1 3 333.520 2.726 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000579225600 479675376 /nfs/dbraw/zinc/67/53/76/479675376.db2.gz UNNAGRWQBCFPPR-CADBVGFASA-N 1 3 343.519 2.518 20 0 EFADHO CC(C)N(CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000579232578 479677175 /nfs/dbraw/zinc/67/71/75/479677175.db2.gz JIQCLZBYWVEXDU-UHFFFAOYSA-N 1 3 340.309 2.565 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCCC[C@@H]1C ZINC000579329903 479686254 /nfs/dbraw/zinc/68/62/54/479686254.db2.gz AZKXEJDDWSOAGT-LSDHHAIUSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCCC[C@@H]1C ZINC000579329903 479686257 /nfs/dbraw/zinc/68/62/57/479686257.db2.gz AZKXEJDDWSOAGT-LSDHHAIUSA-N 1 3 330.476 2.717 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606659665 479716818 /nfs/dbraw/zinc/71/68/18/479716818.db2.gz RGMCXIKONDYNHR-QFBILLFUSA-N 1 3 346.519 2.627 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606699468 479726896 /nfs/dbraw/zinc/72/68/96/479726896.db2.gz ODXPCFOYMGZPOZ-CQSZACIVSA-N 1 3 348.491 2.609 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000621641461 479735042 /nfs/dbraw/zinc/73/50/42/479735042.db2.gz KMROSNKLJLKJLP-HZPDHXFCSA-N 1 3 335.517 2.781 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621641641 479735770 /nfs/dbraw/zinc/73/57/70/479735770.db2.gz QEAMALUVBGDKIZ-LJQANCHMSA-N 1 3 343.515 2.809 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccco1 ZINC000625024122 479741393 /nfs/dbraw/zinc/74/13/93/479741393.db2.gz IGWRBHDWEFXMMZ-IAGOWNOFSA-N 1 3 335.492 2.648 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccco1 ZINC000625024122 479741399 /nfs/dbraw/zinc/74/13/99/479741399.db2.gz IGWRBHDWEFXMMZ-IAGOWNOFSA-N 1 3 335.492 2.648 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccco1 ZINC000625024129 479741474 /nfs/dbraw/zinc/74/14/74/479741474.db2.gz IGWRBHDWEFXMMZ-SJORKVTESA-N 1 3 335.492 2.648 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)c1ccco1 ZINC000625024129 479741479 /nfs/dbraw/zinc/74/14/79/479741479.db2.gz IGWRBHDWEFXMMZ-SJORKVTESA-N 1 3 335.492 2.648 20 0 EFADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621667659 479744778 /nfs/dbraw/zinc/74/47/78/479744778.db2.gz JFBWWXDPGWGBGK-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000633341225 479778112 /nfs/dbraw/zinc/77/81/12/479778112.db2.gz FCLFKZPVGACPNY-ROUUACIJSA-N 1 3 348.535 2.663 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612870447 479786713 /nfs/dbraw/zinc/78/67/13/479786713.db2.gz CXYLRJYOKOHEON-ICSRJNTNSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccccc1[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000607244164 479793235 /nfs/dbraw/zinc/79/32/35/479793235.db2.gz ISONNDPLMCSNSQ-IBGZPJMESA-N 1 3 346.519 2.581 20 0 EFADHO CCN1CCN(CCC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628232529 479822040 /nfs/dbraw/zinc/82/20/40/479822040.db2.gz BPLSNJUNIIZFTB-UHFFFAOYSA-N 1 3 343.437 2.865 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612971412 479823524 /nfs/dbraw/zinc/82/35/24/479823524.db2.gz OOMLNYSDEKNKFG-RDJZCZTQSA-N 1 3 344.503 2.557 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616154907 479837360 /nfs/dbraw/zinc/83/73/60/479837360.db2.gz HUTPZKPULDXGLE-VQTJNVASSA-N 1 3 343.515 2.807 20 0 EFADHO Cc1oc(-c2ccccc2)cc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000625284548 479849494 /nfs/dbraw/zinc/84/94/94/479849494.db2.gz APBYZHRETFRXNH-UHFFFAOYSA-N 1 3 343.471 2.820 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]Cc3ccc(=O)[nH]c3)CC2)cc1 ZINC000631055646 479864067 /nfs/dbraw/zinc/86/40/67/479864067.db2.gz DGJSAMJSICVBDE-UHFFFAOYSA-N 1 3 341.455 2.798 20 0 EFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000631565038 480157846 /nfs/dbraw/zinc/15/78/46/480157846.db2.gz ATZFEKRKUGXTPR-SFHVURJKSA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631567417 480159264 /nfs/dbraw/zinc/15/92/64/480159264.db2.gz ZTZCGCPARKJDQK-SFHVURJKSA-N 1 3 347.503 2.526 20 0 EFADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000631581316 480166066 /nfs/dbraw/zinc/16/60/66/480166066.db2.gz LBCPJCAINMIJOZ-MGPUTAFESA-N 1 3 330.472 2.773 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000631590069 480169549 /nfs/dbraw/zinc/16/95/49/480169549.db2.gz GCWDKVAVRGAFIO-FHWLQOOXSA-N 1 3 327.472 2.845 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000617343858 480174975 /nfs/dbraw/zinc/17/49/75/480174975.db2.gz ZHUWGWTYNGQBJW-MOPGFXCFSA-N 1 3 343.515 2.855 20 0 EFADHO COc1ccc2c(c1)CC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000631603303 480178203 /nfs/dbraw/zinc/17/82/03/480178203.db2.gz RWNAHHMYCNNYDO-LJQANCHMSA-N 1 3 341.455 2.808 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617353336 480182926 /nfs/dbraw/zinc/18/29/26/480182926.db2.gz IIZBKFDEVOXOPD-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617353336 480182931 /nfs/dbraw/zinc/18/29/31/480182931.db2.gz IIZBKFDEVOXOPD-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000631664927 480206777 /nfs/dbraw/zinc/20/67/77/480206777.db2.gz SHHHTIOGXLYJQV-YYWHXJBOSA-N 1 3 346.515 2.786 20 0 EFADHO C[C@@H]1C[C@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H](c2ccccc2)C1 ZINC000629407288 480246219 /nfs/dbraw/zinc/24/62/19/480246219.db2.gz YSWQIPWSRBCMEW-TXJVSEOTSA-N 1 3 339.487 2.875 20 0 EFADHO c1c(CN[C@@H]2CCCC[C@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629414093 480248918 /nfs/dbraw/zinc/24/89/18/480248918.db2.gz CPWXQMLQRFWPBW-CEXWTWQISA-N 1 3 325.460 2.629 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000620930831 480276827 /nfs/dbraw/zinc/27/68/27/480276827.db2.gz YETHMOROQAETBT-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521260 480293573 /nfs/dbraw/zinc/29/35/73/480293573.db2.gz OQQCWVRORMKARC-FHLIZLRMSA-N 1 3 337.895 2.523 20 0 EFADHO Clc1cccc([C@@H]2CC[C@H](NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)c1 ZINC000629548614 480300912 /nfs/dbraw/zinc/30/09/12/480300912.db2.gz HSASIDNNFOCRRN-HFTRVMKXSA-N 1 3 345.878 2.892 20 0 EFADHO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000629548899 480301118 /nfs/dbraw/zinc/30/11/18/480301118.db2.gz ZZRJQJYJKHJYJF-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO O[C@@H](CNCCCOc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629558466 480306071 /nfs/dbraw/zinc/30/60/71/480306071.db2.gz IFAKJCVQZZMQJD-AWEZNQCLSA-N 1 3 347.286 2.809 20 0 EFADHO O[C@H](C[NH2+]CCOc1ccccc1-c1ccccc1)CN1CCCC1 ZINC000629558613 480306155 /nfs/dbraw/zinc/30/61/55/480306155.db2.gz KJBKXYBYHYEYKN-LJQANCHMSA-N 1 3 340.467 2.779 20 0 EFADHO O[C@@H](C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)CN1CCCC1 ZINC000629558617 480307519 /nfs/dbraw/zinc/30/75/19/480307519.db2.gz KNHZXXCSUWXGSO-YOEHRIQHSA-N 1 3 340.414 2.712 20 0 EFADHO CC[C@@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629564993 480310276 /nfs/dbraw/zinc/31/02/76/480310276.db2.gz NUYFJOAQMDBTJP-GJZGRUSLSA-N 1 3 326.868 2.544 20 0 EFADHO O[C@H](CNCCCO[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000629566171 480311211 /nfs/dbraw/zinc/31/12/11/480311211.db2.gz MOZUAVFSPFYTOG-QUCCMNQESA-N 1 3 332.488 2.517 20 0 EFADHO O[C@@H](CNCCCOc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000629568852 480312052 /nfs/dbraw/zinc/31/20/52/480312052.db2.gz MAFCUMOCZPMQMJ-IBGZPJMESA-N 1 3 328.456 2.655 20 0 EFADHO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000629576909 480313756 /nfs/dbraw/zinc/31/37/56/480313756.db2.gz WIMKPOUCCJZBHT-SFTDATJTSA-N 1 3 342.483 2.838 20 0 EFADHO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000629576909 480313762 /nfs/dbraw/zinc/31/37/62/480313762.db2.gz WIMKPOUCCJZBHT-SFTDATJTSA-N 1 3 342.483 2.838 20 0 EFADHO COC1(CNC[C@H](O)C[NH+]2CCCC2)CCC(c2ccccc2)CC1 ZINC000629580426 480314136 /nfs/dbraw/zinc/31/41/36/480314136.db2.gz BQSFGDVBXDZNNN-KBWCOIMZSA-N 1 3 346.515 2.776 20 0 EFADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000621105166 480336148 /nfs/dbraw/zinc/33/61/48/480336148.db2.gz MWFSAZUEJLWOLA-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000621105166 480336154 /nfs/dbraw/zinc/33/61/54/480336154.db2.gz MWFSAZUEJLWOLA-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623564827 480342745 /nfs/dbraw/zinc/34/27/45/480342745.db2.gz SKGAPJPCCCRKPH-LJQANCHMSA-N 1 3 330.520 2.756 20 0 EFADHO C[NH2+]CCn1cc(-c2cccc(OCCN3CCCCC3)c2)cn1 ZINC000629697678 480360035 /nfs/dbraw/zinc/36/00/35/480360035.db2.gz PGTDDXKBDIVRPP-UHFFFAOYSA-N 1 3 328.460 2.634 20 0 EFADHO CNCC(=O)Nc1ccc(-c2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000629697172 480360293 /nfs/dbraw/zinc/36/02/93/480360293.db2.gz VPTFDKAKHLRBCU-UHFFFAOYSA-N 1 3 338.455 2.892 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1)C(C)C ZINC000621152628 480361910 /nfs/dbraw/zinc/36/19/10/480361910.db2.gz ATUZVMQLLINRJK-IBGZPJMESA-N 1 3 331.504 2.987 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1)C(C)C ZINC000621152628 480361916 /nfs/dbraw/zinc/36/19/16/480361916.db2.gz ATUZVMQLLINRJK-IBGZPJMESA-N 1 3 331.504 2.987 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000621153141 480362144 /nfs/dbraw/zinc/36/21/44/480362144.db2.gz LKXVKQSTFGVMOR-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@H](C(C)C)C2)cc1 ZINC000621153141 480362149 /nfs/dbraw/zinc/36/21/49/480362149.db2.gz LKXVKQSTFGVMOR-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1Cn1cccn1 ZINC000637907638 480377846 /nfs/dbraw/zinc/37/78/46/480377846.db2.gz PLXNZFVTKDEAJN-UHFFFAOYSA-N 1 3 342.487 2.714 20 0 EFADHO CN1CC[C@@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)C1 ZINC000617865844 480398052 /nfs/dbraw/zinc/39/80/52/480398052.db2.gz SOJVMFKSPXPPHE-CYBMUJFWSA-N 1 3 344.484 2.781 20 0 EFADHO CN1CC[C@@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC000617865844 480398054 /nfs/dbraw/zinc/39/80/54/480398054.db2.gz SOJVMFKSPXPPHE-CYBMUJFWSA-N 1 3 344.484 2.781 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC3(O)CCCC3)CC2)c1 ZINC000644520035 480411810 /nfs/dbraw/zinc/41/18/10/480411810.db2.gz URMXEYIBGQCRKG-UHFFFAOYSA-N 1 3 345.531 2.792 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000634678614 480425222 /nfs/dbraw/zinc/42/52/22/480425222.db2.gz ZMEVNPGOOULEKQ-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000644583822 480452376 /nfs/dbraw/zinc/45/23/76/480452376.db2.gz PDTHBMSCWGQNGQ-ARFHVFGLSA-N 1 3 338.517 2.611 20 0 EFADHO CC[C@@H](CC(F)(F)F)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711164 480452779 /nfs/dbraw/zinc/45/27/79/480452779.db2.gz KPVPGGIJNVJJAE-HOTGVXAUSA-N 1 3 330.394 2.944 20 0 EFADHO CC[C@@H](CC(F)(F)F)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711164 480452786 /nfs/dbraw/zinc/45/27/86/480452786.db2.gz KPVPGGIJNVJJAE-HOTGVXAUSA-N 1 3 330.394 2.944 20 0 EFADHO CC[C@@H](CC(F)(F)F)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711166 480453007 /nfs/dbraw/zinc/45/30/07/480453007.db2.gz KPVPGGIJNVJJAE-JKSUJKDBSA-N 1 3 330.394 2.944 20 0 EFADHO CC[C@@H](CC(F)(F)F)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711166 480453015 /nfs/dbraw/zinc/45/30/15/480453015.db2.gz KPVPGGIJNVJJAE-JKSUJKDBSA-N 1 3 330.394 2.944 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cncc(OCC)c2)[C@@H](C)C1 ZINC000621336479 480459145 /nfs/dbraw/zinc/45/91/45/480459145.db2.gz ZZFNWUTZDPUJEM-QFBILLFUSA-N 1 3 335.492 2.707 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000644601509 480465667 /nfs/dbraw/zinc/46/56/67/480465667.db2.gz PCESARGVPPLZPC-QYRPDUKASA-N 1 3 346.515 2.509 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000644601509 480465679 /nfs/dbraw/zinc/46/56/79/480465679.db2.gz PCESARGVPPLZPC-QYRPDUKASA-N 1 3 346.515 2.509 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000634724386 480468306 /nfs/dbraw/zinc/46/83/06/480468306.db2.gz OWDRCLRGVWKYRU-VNQPRFMTSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC(F)(F)F ZINC000634724386 480468312 /nfs/dbraw/zinc/46/83/12/480468312.db2.gz OWDRCLRGVWKYRU-VNQPRFMTSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC(F)(F)F ZINC000634724386 480468316 /nfs/dbraw/zinc/46/83/16/480468316.db2.gz OWDRCLRGVWKYRU-VNQPRFMTSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000634724515 480468451 /nfs/dbraw/zinc/46/84/51/480468451.db2.gz RPUNZAWYGNJOLP-BMFZPTHFSA-N 1 3 330.394 2.657 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CCC1 ZINC000629956540 480473523 /nfs/dbraw/zinc/47/35/23/480473523.db2.gz JIKYXPSQPBAKPZ-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CCC1 ZINC000629956540 480473530 /nfs/dbraw/zinc/47/35/30/480473530.db2.gz JIKYXPSQPBAKPZ-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635576833 480474537 /nfs/dbraw/zinc/47/45/37/480474537.db2.gz XRJMORQLUWTCED-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635576833 480474541 /nfs/dbraw/zinc/47/45/41/480474541.db2.gz XRJMORQLUWTCED-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635575240 480474653 /nfs/dbraw/zinc/47/46/53/480474653.db2.gz QMORDAGDNYBCDB-MRXNPFEDSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]1C[C@H](NCCN(C)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623832292 480475404 /nfs/dbraw/zinc/47/54/04/480475404.db2.gz UZCDPFFELYFDPU-DOTOQJQBSA-N 1 3 325.447 2.826 20 0 EFADHO C[C@H]1C[C@H](NCCN(C)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623832292 480475412 /nfs/dbraw/zinc/47/54/12/480475412.db2.gz UZCDPFFELYFDPU-DOTOQJQBSA-N 1 3 325.447 2.826 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1C ZINC000644618441 480476641 /nfs/dbraw/zinc/47/66/41/480476641.db2.gz JZSYARFJZIMQAH-HKUYNNGSSA-N 1 3 332.488 2.592 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21)C1=CCN(C)CC1 ZINC000644618388 480477148 /nfs/dbraw/zinc/47/71/48/480477148.db2.gz CHBXEJSWGGKQOS-LDQXTDLNSA-N 1 3 344.499 2.682 20 0 EFADHO CCOCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000644619681 480479127 /nfs/dbraw/zinc/47/91/27/480479127.db2.gz WSQCLKGPHBYJOS-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635589558 480483627 /nfs/dbraw/zinc/48/36/27/480483627.db2.gz QCDISDFBBIFDBF-HKUYNNGSSA-N 1 3 343.515 2.840 20 0 EFADHO COc1cc(CCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000621391865 480494221 /nfs/dbraw/zinc/49/42/21/480494221.db2.gz WWHJSRWSWMHQSW-HZPDHXFCSA-N 1 3 334.460 2.558 20 0 EFADHO COc1cc(CCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000621391865 480494231 /nfs/dbraw/zinc/49/42/31/480494231.db2.gz WWHJSRWSWMHQSW-HZPDHXFCSA-N 1 3 334.460 2.558 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000634760423 480504197 /nfs/dbraw/zinc/50/41/97/480504197.db2.gz DLWCLXPVRNQKIV-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CO[C@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066413 480508822 /nfs/dbraw/zinc/50/88/22/480508822.db2.gz GUUCAAKRZMXPKC-PZJWPPBQSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066413 480508831 /nfs/dbraw/zinc/50/88/31/480508831.db2.gz GUUCAAKRZMXPKC-PZJWPPBQSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@@H](CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066412 480509169 /nfs/dbraw/zinc/50/91/69/480509169.db2.gz GUUCAAKRZMXPKC-FPOVZHCZSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@@H](CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066412 480509173 /nfs/dbraw/zinc/50/91/73/480509173.db2.gz GUUCAAKRZMXPKC-FPOVZHCZSA-N 1 3 346.515 2.882 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635620384 480511131 /nfs/dbraw/zinc/51/11/31/480511131.db2.gz WPOZDRVSVNCOIV-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c(CN(C)C)c1 ZINC000638116778 480545024 /nfs/dbraw/zinc/54/50/24/480545024.db2.gz PTTHGBKHDSKSHK-UHFFFAOYSA-N 1 3 337.467 2.884 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000638124755 480552078 /nfs/dbraw/zinc/55/20/78/480552078.db2.gz VBXOWUDGNPIXPF-QGZVFWFLSA-N 1 3 330.476 2.905 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(F)c2N)CC1 ZINC000638133582 480557208 /nfs/dbraw/zinc/55/72/08/480557208.db2.gz RMTZFLJXFOROBZ-UHFFFAOYSA-N 1 3 337.483 2.978 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(F)c2N)CC1 ZINC000638133582 480557212 /nfs/dbraw/zinc/55/72/12/480557212.db2.gz RMTZFLJXFOROBZ-UHFFFAOYSA-N 1 3 337.483 2.978 20 0 EFADHO CO[C@]1(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176921 480582068 /nfs/dbraw/zinc/58/20/68/480582068.db2.gz IEPDWMVGJMZBSC-HKBOAZHASA-N 1 3 344.499 2.778 20 0 EFADHO CO[C@]1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176921 480582073 /nfs/dbraw/zinc/58/20/73/480582073.db2.gz IEPDWMVGJMZBSC-HKBOAZHASA-N 1 3 344.499 2.778 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1)N(C)C ZINC000638200715 480598660 /nfs/dbraw/zinc/59/86/60/480598660.db2.gz GFFLCYKJJJRMKQ-GUDVDZBRSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1)N(C)C ZINC000638200718 480599329 /nfs/dbraw/zinc/59/93/29/480599329.db2.gz GFFLCYKJJJRMKQ-QRVBRYPASA-N 1 3 331.504 2.525 20 0 EFADHO CC(C)[C@@H]([NH2+]Cc1ccc(OCCN(C)C)cc1)C1(CO)CCC1 ZINC000644835349 480603766 /nfs/dbraw/zinc/60/37/66/480603766.db2.gz YTIXVHVUTXWNPJ-LJQANCHMSA-N 1 3 334.504 2.904 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(N2CCOCC2)c1 ZINC000624119771 480618580 /nfs/dbraw/zinc/61/85/80/480618580.db2.gz JHEJMNILKQEDCW-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120649 480620935 /nfs/dbraw/zinc/62/09/35/480620935.db2.gz DLDOQHPNCNDPCZ-GGPKGHCWSA-N 1 3 330.520 2.614 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](c1ccccc1)N(C)C ZINC000635811078 480647245 /nfs/dbraw/zinc/64/72/45/480647245.db2.gz MAMDLPDWHXVJSO-SJLPKXTDSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638351987 480678666 /nfs/dbraw/zinc/67/86/66/480678666.db2.gz NLZDPEZDWTUSNC-MJGOQNOKSA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638351987 480678672 /nfs/dbraw/zinc/67/86/72/480678672.db2.gz NLZDPEZDWTUSNC-MJGOQNOKSA-N 1 3 329.488 2.859 20 0 EFADHO [NH3+]Cc1cn([C@H]2CCN(Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000689 480682343 /nfs/dbraw/zinc/68/23/43/480682343.db2.gz SZGWRPJPAWMERN-KRWDZBQOSA-N 1 3 341.459 2.505 20 0 EFADHO NCc1cn([C@H]2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000689 480682350 /nfs/dbraw/zinc/68/23/50/480682350.db2.gz SZGWRPJPAWMERN-KRWDZBQOSA-N 1 3 341.459 2.505 20 0 EFADHO NCc1cn([C@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)nn1 ZINC000635000689 480682357 /nfs/dbraw/zinc/68/23/57/480682357.db2.gz SZGWRPJPAWMERN-KRWDZBQOSA-N 1 3 341.459 2.505 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638358696 480682871 /nfs/dbraw/zinc/68/28/71/480682871.db2.gz AHLSDQDKZJINLS-QZTJIDSGSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](C[NH+]1CCC(NCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000635002343 480683307 /nfs/dbraw/zinc/68/33/07/480683307.db2.gz OADYNJGLSYSSBX-CYBMUJFWSA-N 1 3 330.394 2.855 20 0 EFADHO COc1ccccc1C[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635005945 480683626 /nfs/dbraw/zinc/68/36/26/480683626.db2.gz ABIQHHYWJXVHIX-HNNXBMFYSA-N 1 3 326.444 2.543 20 0 EFADHO c1csc(N2CCC([NH2+]Cc3cccc4c3CCNC4)CC2)n1 ZINC000635007495 480684666 /nfs/dbraw/zinc/68/46/66/480684666.db2.gz DLIMBZLLEXRFFS-UHFFFAOYSA-N 1 3 328.485 2.547 20 0 EFADHO COC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(Cl)cc1 ZINC000635008232 480685363 /nfs/dbraw/zinc/68/53/63/480685363.db2.gz IIJKQCBCURSINW-QGZVFWFLSA-N 1 3 346.862 2.944 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011112 480686321 /nfs/dbraw/zinc/68/63/21/480686321.db2.gz XOIWKPJCGYKPRS-KXBFYZLASA-N 1 3 326.444 2.679 20 0 EFADHO CC(=O)Nc1cccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635011091 480686355 /nfs/dbraw/zinc/68/63/55/480686355.db2.gz XKOGZMIRWWQITH-CQSZACIVSA-N 1 3 339.443 2.623 20 0 EFADHO COc1cc(C)ccc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009201 480686394 /nfs/dbraw/zinc/68/63/94/480686394.db2.gz MGPFCKIQJXBLGH-HNNXBMFYSA-N 1 3 326.444 2.981 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC000638366650 480686978 /nfs/dbraw/zinc/68/69/78/480686978.db2.gz JRTWZYKFZHNLBK-YLJYHZDGSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000638366650 480686984 /nfs/dbraw/zinc/68/69/84/480686984.db2.gz JRTWZYKFZHNLBK-YLJYHZDGSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638366447 480687291 /nfs/dbraw/zinc/68/72/91/480687291.db2.gz JRTWZYKFZHNLBK-FXAWDEMLSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638366447 480687294 /nfs/dbraw/zinc/68/72/94/480687294.db2.gz JRTWZYKFZHNLBK-FXAWDEMLSA-N 1 3 332.488 2.956 20 0 EFADHO Cc1nc2c(s1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635009283 480687320 /nfs/dbraw/zinc/68/73/20/480687320.db2.gz MUPNHMFNXSGXAB-OAHLLOKOSA-N 1 3 329.473 2.746 20 0 EFADHO c1c[nH]c([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CCCCC2)n1 ZINC000635009501 480687440 /nfs/dbraw/zinc/68/74/40/480687440.db2.gz HNXKJSLCFXGCTO-GOSISDBHSA-N 1 3 340.475 2.948 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CCOC1 ZINC000638364231 480687522 /nfs/dbraw/zinc/68/75/22/480687522.db2.gz XUESGXYVUQYOAX-PXNSSMCTSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CCOC1 ZINC000638364231 480687529 /nfs/dbraw/zinc/68/75/29/480687529.db2.gz XUESGXYVUQYOAX-PXNSSMCTSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H]2CCCNC(=O)C2)C1 ZINC000638374912 480692873 /nfs/dbraw/zinc/69/28/73/480692873.db2.gz RGMWNEMZEARILT-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CCCNC(=O)C2)C1 ZINC000638374912 480692876 /nfs/dbraw/zinc/69/28/76/480692876.db2.gz RGMWNEMZEARILT-QKLQHJQFSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1ccc(CN2CC[C@H](CN(C)C(=O)C3(C[NH+](C)C)CC3)C2)s1 ZINC000635908577 480698111 /nfs/dbraw/zinc/69/81/11/480698111.db2.gz KKPIGDXTKIRZBO-MRXNPFEDSA-N 1 3 349.544 2.679 20 0 EFADHO C[C@H]([NH2+]CCN(C)CC(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000624326551 480709327 /nfs/dbraw/zinc/70/93/27/480709327.db2.gz OMUDFKRECPYSBM-RDJZCZTQSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H](NCCN(C)CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624326551 480709331 /nfs/dbraw/zinc/70/93/31/480709331.db2.gz OMUDFKRECPYSBM-RDJZCZTQSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H](NCCN(C)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624326551 480709337 /nfs/dbraw/zinc/70/93/37/480709337.db2.gz OMUDFKRECPYSBM-RDJZCZTQSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624326550 480710302 /nfs/dbraw/zinc/71/03/02/480710302.db2.gz OMUDFKRECPYSBM-NVXWUHKLSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H](NCCN(C)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624326550 480710304 /nfs/dbraw/zinc/71/03/04/480710304.db2.gz OMUDFKRECPYSBM-NVXWUHKLSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H](NCCN(C)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624326550 480710310 /nfs/dbraw/zinc/71/03/10/480710310.db2.gz OMUDFKRECPYSBM-NVXWUHKLSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000635935595 480714361 /nfs/dbraw/zinc/71/43/61/480714361.db2.gz NHLYOYRDHHGEMG-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO CCCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645199847 480740301 /nfs/dbraw/zinc/74/03/01/480740301.db2.gz VRPXKESTOJGWTE-LNLFQRSKSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645204732 480742223 /nfs/dbraw/zinc/74/22/23/480742223.db2.gz PROWVOQGYTUZGS-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645204732 480742231 /nfs/dbraw/zinc/74/22/31/480742231.db2.gz PROWVOQGYTUZGS-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cccc(F)c2N)cc1 ZINC000638539271 480769497 /nfs/dbraw/zinc/76/94/97/480769497.db2.gz LXGAZNNXBVLCRA-UHFFFAOYSA-N 1 3 331.435 2.681 20 0 EFADHO NCc1cccc2c1N(C(=O)C1C[C@H]3CCC[C@@H](C1)C3[NH3+])CCC2 ZINC000638542990 480770847 /nfs/dbraw/zinc/77/08/47/480770847.db2.gz AIRVWUJFQUEDSQ-BXXOZEPKSA-N 1 3 327.472 2.578 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]CC(C)(C)Oc3ccccc3)C2)CC1 ZINC000638586227 480787938 /nfs/dbraw/zinc/78/79/38/480787938.db2.gz LIIYXNKGMUATOU-KRWDZBQOSA-N 1 3 331.504 2.602 20 0 EFADHO C[C@@H](C[NH3+])C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000645332089 480798838 /nfs/dbraw/zinc/79/88/38/480798838.db2.gz PKSNFWGVQHYMNS-HNNXBMFYSA-N 1 3 325.456 2.626 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000632948802 480816516 /nfs/dbraw/zinc/81/65/16/480816516.db2.gz LWXYCLVWSISUPI-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)Nc3cccc(C[NH3+])c3)C2)cc1 ZINC000632949890 480817677 /nfs/dbraw/zinc/81/76/77/480817677.db2.gz WOCVSMFAPCSFCH-IBGZPJMESA-N 1 3 338.455 2.850 20 0 EFADHO CC(C)(CNC1CC[NH+](C[C@@H]2CCOC2)CC1)Oc1ccccc1 ZINC000638669248 480821708 /nfs/dbraw/zinc/82/17/08/480821708.db2.gz PRHQIIOJBYZZHH-KRWDZBQOSA-N 1 3 332.488 2.935 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)N1CCCCC1 ZINC000638672233 480822652 /nfs/dbraw/zinc/82/26/52/480822652.db2.gz TYKKZOGILBBCCA-GOSISDBHSA-N 1 3 331.460 2.618 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635329317 480823505 /nfs/dbraw/zinc/82/35/05/480823505.db2.gz ADAYXZRXAJTGOT-SCTDSRPQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635329317 480823508 /nfs/dbraw/zinc/82/35/08/480823508.db2.gz ADAYXZRXAJTGOT-SCTDSRPQSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000638679345 480824018 /nfs/dbraw/zinc/82/40/18/480824018.db2.gz MOIXRDWJMGCAKQ-IBGZPJMESA-N 1 3 346.519 2.730 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000638679346 480824250 /nfs/dbraw/zinc/82/42/50/480824250.db2.gz MOIXRDWJMGCAKQ-LJQANCHMSA-N 1 3 346.519 2.730 20 0 EFADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1cccc(-n2cccn2)c1 ZINC000638701717 480837019 /nfs/dbraw/zinc/83/70/19/480837019.db2.gz GUEYZFREBMLYNR-INIZCTEOSA-N 1 3 342.487 2.758 20 0 EFADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1cccc(-n2cccn2)c1 ZINC000638701719 480837606 /nfs/dbraw/zinc/83/76/06/480837606.db2.gz GUEYZFREBMLYNR-MRXNPFEDSA-N 1 3 342.487 2.758 20 0 EFADHO CO[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)CC(C)C ZINC000638718595 480840164 /nfs/dbraw/zinc/84/01/64/480840164.db2.gz IWLUIQIBJRMZES-FQEVSTJZSA-N 1 3 334.504 2.794 20 0 EFADHO CC(C)CC[NH+]1CCC(CNCc2cc3c(cn2)OCCO3)CC1 ZINC000638722727 480843267 /nfs/dbraw/zinc/84/32/67/480843267.db2.gz VBYGITAOAFFTNS-UHFFFAOYSA-N 1 3 333.476 2.701 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N2CCC(C)([NH3+])CC2)CCC1 ZINC000633010779 480846120 /nfs/dbraw/zinc/84/61/20/480846120.db2.gz ZEXWBKIIYYARED-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000641168249 480850236 /nfs/dbraw/zinc/85/02/36/480850236.db2.gz RGMJJKIFNPKRNY-UHFFFAOYSA-N 1 3 344.503 2.552 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000641168249 480850242 /nfs/dbraw/zinc/85/02/42/480850242.db2.gz RGMJJKIFNPKRNY-UHFFFAOYSA-N 1 3 344.503 2.552 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000633033331 480855093 /nfs/dbraw/zinc/85/50/93/480855093.db2.gz AFKANNHUTWJFTD-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000638762016 480856591 /nfs/dbraw/zinc/85/65/91/480856591.db2.gz PSXYRXJUVLHFQI-OFCAXSSNSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000638762016 480856594 /nfs/dbraw/zinc/85/65/94/480856594.db2.gz PSXYRXJUVLHFQI-OFCAXSSNSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1F ZINC000624650389 480857517 /nfs/dbraw/zinc/85/75/17/480857517.db2.gz UGYMSVTWFSENSD-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1F ZINC000624650389 480857522 /nfs/dbraw/zinc/85/75/22/480857522.db2.gz UGYMSVTWFSENSD-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccccc3C)CC2)CC[N@@H+]1C ZINC000630728193 480862246 /nfs/dbraw/zinc/86/22/46/480862246.db2.gz YJZIWQPPPFNVJJ-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccccc3C)CC2)CC[N@H+]1C ZINC000630728193 480862251 /nfs/dbraw/zinc/86/22/51/480862251.db2.gz YJZIWQPPPFNVJJ-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000633092735 480878677 /nfs/dbraw/zinc/87/86/77/480878677.db2.gz LQHYIDXLFIWZSK-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@@H]1CCN(C)C1 ZINC000645522242 480879709 /nfs/dbraw/zinc/87/97/09/480879709.db2.gz VLIONRAOXOEBRA-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633096024 480879831 /nfs/dbraw/zinc/87/98/31/480879831.db2.gz VIGYAYOXLVDHHW-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2NCC2(C)C)C1 ZINC000645541888 480885774 /nfs/dbraw/zinc/88/57/74/480885774.db2.gz HYHZFUXYJHLKME-JTDSTZFVSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2NCC2(C)C)C1 ZINC000645541888 480885782 /nfs/dbraw/zinc/88/57/82/480885782.db2.gz HYHZFUXYJHLKME-JTDSTZFVSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2NCC2(C)C)C1 ZINC000645541889 480886051 /nfs/dbraw/zinc/88/60/51/480886051.db2.gz HYHZFUXYJHLKME-MDZRGWNJSA-N 1 3 343.515 2.779 20 0 EFADHO COC[C@@H](O)CC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638829585 480887894 /nfs/dbraw/zinc/88/78/94/480887894.db2.gz LRSWGTJKCDIMQM-PZJWPPBQSA-N 1 3 348.531 2.912 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)ccn1 ZINC000638837611 480890010 /nfs/dbraw/zinc/89/00/10/480890010.db2.gz VMPCIGTVFNTMIC-MRXNPFEDSA-N 1 3 340.471 2.922 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000638862388 480901574 /nfs/dbraw/zinc/90/15/74/480901574.db2.gz UNOLBXMJNVEWDW-UHFFFAOYSA-N 1 3 327.472 2.770 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000638862235 480901622 /nfs/dbraw/zinc/90/16/22/480901622.db2.gz PMEBBHKDAZEHPJ-IBGZPJMESA-N 1 3 341.499 2.740 20 0 EFADHO Cc1nc(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)n[nH]1 ZINC000638950012 480919546 /nfs/dbraw/zinc/91/95/46/480919546.db2.gz LZEDBVCJIDEVDJ-AEFFLSMTSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638950012 480919549 /nfs/dbraw/zinc/91/95/49/480919549.db2.gz LZEDBVCJIDEVDJ-AEFFLSMTSA-N 1 3 325.460 2.613 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000638968041 480921809 /nfs/dbraw/zinc/92/18/09/480921809.db2.gz OHLIFFIOHLYHSK-RUCARUNLSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000647474818 480955847 /nfs/dbraw/zinc/95/58/47/480955847.db2.gz LCZCXPUCNFZVSM-HZPDHXFCSA-N 1 3 348.491 2.799 20 0 EFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000647483088 480960891 /nfs/dbraw/zinc/96/08/91/480960891.db2.gz YCPQFDSGEJZUNL-QGZVFWFLSA-N 1 3 328.460 2.953 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000647492988 480963414 /nfs/dbraw/zinc/96/34/14/480963414.db2.gz MZEBPWYFPIHBLD-UHFFFAOYSA-N 1 3 333.476 2.891 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2F)s1 ZINC000647493100 480963654 /nfs/dbraw/zinc/96/36/54/480963654.db2.gz UOOLGOOTORGQAX-UHFFFAOYSA-N 1 3 333.476 2.891 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000661370953 480968584 /nfs/dbraw/zinc/96/85/84/480968584.db2.gz VLOHLFBYPBEADX-NEWSRXKRSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000661370953 480968591 /nfs/dbraw/zinc/96/85/91/480968591.db2.gz VLOHLFBYPBEADX-NEWSRXKRSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000661370952 480969315 /nfs/dbraw/zinc/96/93/15/480969315.db2.gz VLOHLFBYPBEADX-BHIYHBOVSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000661370952 480969325 /nfs/dbraw/zinc/96/93/25/480969325.db2.gz VLOHLFBYPBEADX-BHIYHBOVSA-N 1 3 348.535 2.710 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1(C)C ZINC000639135319 480980182 /nfs/dbraw/zinc/98/01/82/480980182.db2.gz CQDYVQXKPYZFCW-UHFFFAOYSA-N 1 3 345.318 2.691 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669184407 480982126 /nfs/dbraw/zinc/98/21/26/480982126.db2.gz YXBJMOMZMQBRGZ-RLLQIKCJSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669184407 480982137 /nfs/dbraw/zinc/98/21/37/480982137.db2.gz YXBJMOMZMQBRGZ-RLLQIKCJSA-N 1 3 343.515 2.540 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543047 480989582 /nfs/dbraw/zinc/98/95/82/480989582.db2.gz GXVOBSASGXPAFJ-RBUKOAKNSA-N 1 3 328.504 2.893 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1OC ZINC000647542918 480990391 /nfs/dbraw/zinc/99/03/91/480990391.db2.gz DROFDHCRUMJUGY-IAGOWNOFSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC000647543105 480992298 /nfs/dbraw/zinc/99/22/98/480992298.db2.gz HTTHOQKHZBSHJO-CVEARBPZSA-N 1 3 332.444 2.636 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543320 480993903 /nfs/dbraw/zinc/99/39/03/480993903.db2.gz KYHOVNIQMZCRSX-JKSUJKDBSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647546189 480995457 /nfs/dbraw/zinc/99/54/57/480995457.db2.gz DETLIURFGXYUEI-OAGGEKHMSA-N 1 3 330.472 2.840 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647551556 480996882 /nfs/dbraw/zinc/99/68/82/480996882.db2.gz VDFOKKFJUVJCHJ-YQVWRLOYSA-N 1 3 328.504 2.629 20 0 EFADHO CC[C@@](C)(CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160965 481007597 /nfs/dbraw/zinc/00/75/97/481007597.db2.gz ICEXRCRORCCOLB-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@@](C)(CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160965 481007601 /nfs/dbraw/zinc/00/76/01/481007601.db2.gz ICEXRCRORCCOLB-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)c1ccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000666652883 481010255 /nfs/dbraw/zinc/01/02/55/481010255.db2.gz ANQOQLXHGXJYBJ-INIZCTEOSA-N 1 3 331.504 2.832 20 0 EFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658474 481014397 /nfs/dbraw/zinc/01/43/97/481014397.db2.gz GWSWHRJGBYADNO-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658474 481014403 /nfs/dbraw/zinc/01/44/03/481014403.db2.gz GWSWHRJGBYADNO-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639171720 481017884 /nfs/dbraw/zinc/01/78/84/481017884.db2.gz YCWAYXHFSCMCRZ-FUHWJXTLSA-N 1 3 333.524 2.502 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)[C@@H](C)c1cnc(C)nc1C ZINC000639171720 481017887 /nfs/dbraw/zinc/01/78/87/481017887.db2.gz YCWAYXHFSCMCRZ-FUHWJXTLSA-N 1 3 333.524 2.502 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCN3CCCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639176378 481021422 /nfs/dbraw/zinc/02/14/22/481021422.db2.gz WMANDLHVBQIFFL-CTNGQTDRSA-N 1 3 343.515 2.666 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCN3CCCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639176378 481021427 /nfs/dbraw/zinc/02/14/27/481021427.db2.gz WMANDLHVBQIFFL-CTNGQTDRSA-N 1 3 343.515 2.666 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665447 481022799 /nfs/dbraw/zinc/02/27/99/481022799.db2.gz DJYJQXWDNYICMX-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666665447 481022807 /nfs/dbraw/zinc/02/28/07/481022807.db2.gz DJYJQXWDNYICMX-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO C/C=C\C[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641748293 481048999 /nfs/dbraw/zinc/04/89/99/481048999.db2.gz PWQZTWSTUVESTP-PYTPGESOSA-N 1 3 331.504 2.634 20 0 EFADHO C/C=C\C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641748293 481049006 /nfs/dbraw/zinc/04/90/06/481049006.db2.gz PWQZTWSTUVESTP-PYTPGESOSA-N 1 3 331.504 2.634 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641754408 481051199 /nfs/dbraw/zinc/05/11/99/481051199.db2.gz SRMXPWKMJOWNJR-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641790422 481079492 /nfs/dbraw/zinc/07/94/92/481079492.db2.gz UHVQSQRULKNODA-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653106867 481082721 /nfs/dbraw/zinc/08/27/21/481082721.db2.gz OTTZOZVMPCWZTC-PMACEKPBSA-N 1 3 341.499 2.819 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000666759639 481085704 /nfs/dbraw/zinc/08/57/04/481085704.db2.gz HEOYXHNSCVQTDX-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000666759639 481085712 /nfs/dbraw/zinc/08/57/12/481085712.db2.gz HEOYXHNSCVQTDX-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653112238 481086630 /nfs/dbraw/zinc/08/66/30/481086630.db2.gz RRNXNYZRVNFGDD-WOJBJXKFSA-N 1 3 343.515 2.966 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000653113807 481088263 /nfs/dbraw/zinc/08/82/63/481088263.db2.gz OGKZODSOJOPGCC-RTBURBONSA-N 1 3 329.488 2.638 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000653121744 481091977 /nfs/dbraw/zinc/09/19/77/481091977.db2.gz AYRYQDQNZWQFBF-BFYDXBDKSA-N 1 3 335.517 2.637 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000653121745 481092117 /nfs/dbraw/zinc/09/21/17/481092117.db2.gz AYRYQDQNZWQFBF-INMHGKMJSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653123492 481092512 /nfs/dbraw/zinc/09/25/12/481092512.db2.gz ZXKWOVSBMIOGIL-WOJBJXKFSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000669402840 481097030 /nfs/dbraw/zinc/09/70/30/481097030.db2.gz LFUHORAWIHAYTG-FOIQADDNSA-N 1 3 344.503 2.600 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000641812780 481097180 /nfs/dbraw/zinc/09/71/80/481097180.db2.gz SFHWUCZANUQTMY-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO NCc1cc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc(C(F)(F)F)c1 ZINC000653136649 481102686 /nfs/dbraw/zinc/10/26/86/481102686.db2.gz ZAQSMILVTQXCOF-UONOGXRCSA-N 1 3 327.350 2.633 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791642 481108455 /nfs/dbraw/zinc/10/84/55/481108455.db2.gz JQLGCZGAAASHAI-SGMGOOAPSA-N 1 3 339.277 2.935 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420562 481110822 /nfs/dbraw/zinc/11/08/22/481110822.db2.gz PYRJAAWFJUQKHQ-RBUKOAKNSA-N 1 3 346.519 2.571 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653156027 481114891 /nfs/dbraw/zinc/11/48/91/481114891.db2.gz PAENQZNRYKSXRU-QGZVFWFLSA-N 1 3 344.503 2.545 20 0 EFADHO [NH3+]C1(CC(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000646140263 481116139 /nfs/dbraw/zinc/11/61/39/481116139.db2.gz QBKKKJXOFBGWEZ-FQEVSTJZSA-N 1 3 341.499 2.773 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC(C)([NH3+])CC2)N2CCCC2)cc1 ZINC000669427477 481117334 /nfs/dbraw/zinc/11/73/34/481117334.db2.gz KPYRUZRAZVUWGD-SFHVURJKSA-N 1 3 344.503 2.655 20 0 EFADHO COc1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000639312304 481119600 /nfs/dbraw/zinc/11/96/00/481119600.db2.gz VNELUXQXQIXCDN-UHFFFAOYSA-N 1 3 332.473 2.549 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000653165109 481120250 /nfs/dbraw/zinc/12/02/50/481120250.db2.gz PIXBSMZKEHJANK-MCIONIFRSA-N 1 3 342.361 2.651 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483567 481150546 /nfs/dbraw/zinc/15/05/46/481150546.db2.gz BIGBGGRPAOTTEI-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483585 481150579 /nfs/dbraw/zinc/15/05/79/481150579.db2.gz BXNAOVJHZDADSI-SJLPKXTDSA-N 1 3 332.492 2.640 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483691 481150641 /nfs/dbraw/zinc/15/06/41/481150641.db2.gz IFEREKZQVYZVDC-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483668 481151005 /nfs/dbraw/zinc/15/10/05/481151005.db2.gz GUTHXGKCLZDBGF-GUDVDZBRSA-N 1 3 344.503 2.783 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483565 481151110 /nfs/dbraw/zinc/15/11/10/481151110.db2.gz BIGBGGRPAOTTEI-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000659003927 481151712 /nfs/dbraw/zinc/15/17/12/481151712.db2.gz GLLYQTXQNOQYEH-UHFFFAOYSA-N 1 3 348.491 2.752 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669484028 481152048 /nfs/dbraw/zinc/15/20/48/481152048.db2.gz ZDDHLKIPXAIONT-WDSOQIARSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666858045 481152004 /nfs/dbraw/zinc/15/20/04/481152004.db2.gz USUMPAIFPNLGAO-RHSMWYFYSA-N 1 3 337.895 2.809 20 0 EFADHO O=C(NCC[C@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483865 481152233 /nfs/dbraw/zinc/15/22/33/481152233.db2.gz PVRVCXSVRVJDJA-MJGOQNOKSA-N 1 3 344.503 2.512 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000669483757 481153611 /nfs/dbraw/zinc/15/36/11/481153611.db2.gz LEZXSEGHZRKLAH-RTBURBONSA-N 1 3 344.503 2.655 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000669490641 481158061 /nfs/dbraw/zinc/15/80/61/481158061.db2.gz RMDMPIUKIGQXJP-DNVCBOLYSA-N 1 3 346.519 2.839 20 0 EFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc2c(c1)CNC2 ZINC000659022702 481168668 /nfs/dbraw/zinc/16/86/68/481168668.db2.gz PNXKFOHORNUTIR-UHFFFAOYSA-N 1 3 328.460 2.533 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000669519574 481175751 /nfs/dbraw/zinc/17/57/51/481175751.db2.gz IVGMXVBTCZNHOQ-WZGPROSRSA-N 1 3 329.488 2.561 20 0 EFADHO CCN(C(=O)CC1([NH3+])CCC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000646239673 481176653 /nfs/dbraw/zinc/17/66/53/481176653.db2.gz GBIFKTFFZOYQGG-SJLPKXTDSA-N 1 3 329.488 2.942 20 0 EFADHO CC1(C)CN[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253614 481182072 /nfs/dbraw/zinc/18/20/72/481182072.db2.gz ZDCNMUCAKRYTQR-INIZCTEOSA-N 1 3 333.501 2.811 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000669528885 481182773 /nfs/dbraw/zinc/18/27/73/481182773.db2.gz PMNFGOVPHCYJJY-FUHWJXTLSA-N 1 3 344.503 2.610 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000669530018 481185319 /nfs/dbraw/zinc/18/53/19/481185319.db2.gz NUAIQOZBEFGHEE-ZWKOTPCHSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](Cn1cccn1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000642341707 481197485 /nfs/dbraw/zinc/19/74/85/481197485.db2.gz OQWDFZAAMUZOMY-QGZVFWFLSA-N 1 3 328.460 2.536 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000650589820 481199758 /nfs/dbraw/zinc/19/97/58/481199758.db2.gz LMXULTDHDPSGRM-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000650589820 481199765 /nfs/dbraw/zinc/19/97/65/481199765.db2.gz LMXULTDHDPSGRM-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(CCC)C2)CC1 ZINC000666928542 481200272 /nfs/dbraw/zinc/20/02/72/481200272.db2.gz NRRPVFFHECIKRY-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(CCC)C2)CC1 ZINC000666928542 481200280 /nfs/dbraw/zinc/20/02/80/481200280.db2.gz NRRPVFFHECIKRY-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCOc1cccc(CN[C@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950816 481215123 /nfs/dbraw/zinc/21/51/23/481215123.db2.gz JTKSTPKIXJTEKR-AWEZNQCLSA-N 1 3 326.387 2.918 20 0 EFADHO COc1c(Br)cccc1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666954337 481216503 /nfs/dbraw/zinc/21/65/03/481216503.db2.gz USQITOFXWRFAJG-ZDUSSCGKSA-N 1 3 325.250 2.689 20 0 EFADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965204 481218438 /nfs/dbraw/zinc/21/84/38/481218438.db2.gz LQKAJWZNKINBPL-FGTMMUONSA-N 1 3 326.525 2.747 20 0 EFADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965204 481218445 /nfs/dbraw/zinc/21/84/45/481218445.db2.gz LQKAJWZNKINBPL-FGTMMUONSA-N 1 3 326.525 2.747 20 0 EFADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975050 481225352 /nfs/dbraw/zinc/22/53/52/481225352.db2.gz JKGCDUQRUDURRL-MSOLQXFVSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000647975540 481228127 /nfs/dbraw/zinc/22/81/27/481228127.db2.gz BQKZOAOJUJJFQN-YSTOQKLRSA-N 1 3 347.547 2.879 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc2c(c1)CCC2 ZINC000647975898 481228349 /nfs/dbraw/zinc/22/83/49/481228349.db2.gz HKMSAYAZBGDOSD-OALUTQOASA-N 1 3 341.499 2.825 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCc2ccccc21 ZINC000647975363 481228657 /nfs/dbraw/zinc/22/86/57/481228657.db2.gz YGKVDBJYDJPCBG-MOPGFXCFSA-N 1 3 341.499 2.677 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975600 481229399 /nfs/dbraw/zinc/22/93/99/481229399.db2.gz CNQZTPDUJMXANN-DLBZAZTESA-N 1 3 342.487 2.844 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000647976864 481230351 /nfs/dbraw/zinc/23/03/51/481230351.db2.gz VJAHYKIWYVSKFU-YQVWRLOYSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977095 481231262 /nfs/dbraw/zinc/23/12/62/481231262.db2.gz XTXLLIFTBSFTAM-QRQLOZEOSA-N 1 3 341.499 2.676 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000642630865 481233647 /nfs/dbraw/zinc/23/36/47/481233647.db2.gz OLUAPJQVMYZUAF-XIRDDKMYSA-N 1 3 331.460 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630865 481233656 /nfs/dbraw/zinc/23/36/56/481233656.db2.gz OLUAPJQVMYZUAF-XIRDDKMYSA-N 1 3 331.460 2.629 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977207 481234186 /nfs/dbraw/zinc/23/41/86/481234186.db2.gz ZKJDXCKUPRUROT-NZSAHSFTSA-N 1 3 335.536 2.783 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978750 481236698 /nfs/dbraw/zinc/23/66/98/481236698.db2.gz XQPROIQVVWVJJC-MOPGFXCFSA-N 1 3 329.488 2.600 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN1CCCCC1 ZINC000650657191 481243008 /nfs/dbraw/zinc/24/30/08/481243008.db2.gz PLPJLZFMSZODGC-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN1CCCCC1 ZINC000650657191 481243012 /nfs/dbraw/zinc/24/30/12/481243012.db2.gz PLPJLZFMSZODGC-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@H]3CCNC4(CCC4)C3)CC2)cc1 ZINC000666995299 481243964 /nfs/dbraw/zinc/24/39/64/481243964.db2.gz JUYXGTKIIVMKIR-FQEVSTJZSA-N 1 3 327.516 2.958 20 0 EFADHO CCCN(C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000646371011 481254931 /nfs/dbraw/zinc/25/49/31/481254931.db2.gz AGGCYPBHAFHEMQ-QGZVFWFLSA-N 1 3 332.492 2.739 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000646379953 481262844 /nfs/dbraw/zinc/26/28/44/481262844.db2.gz WAHDHNWQTNYHKW-RTBURBONSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000646381124 481263261 /nfs/dbraw/zinc/26/32/61/481263261.db2.gz IJEBNNXVONGNCA-RBUKOAKNSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000646379950 481263306 /nfs/dbraw/zinc/26/33/06/481263306.db2.gz WAHDHNWQTNYHKW-MOPGFXCFSA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000669690761 481267363 /nfs/dbraw/zinc/26/73/63/481267363.db2.gz XXUWIHNSXKVMJZ-FQEVSTJZSA-N 1 3 331.504 2.945 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000669690761 481267368 /nfs/dbraw/zinc/26/73/68/481267368.db2.gz XXUWIHNSXKVMJZ-FQEVSTJZSA-N 1 3 331.504 2.945 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nccc3ccccc32)CC1 ZINC000667041735 481272254 /nfs/dbraw/zinc/27/22/54/481272254.db2.gz MIHNVTXFBSLDLG-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707384 481274935 /nfs/dbraw/zinc/27/49/35/481274935.db2.gz DZEGGMQXFUDTAH-BXWFABGCSA-N 1 3 336.451 2.943 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707385 481276581 /nfs/dbraw/zinc/27/65/81/481276581.db2.gz DZEGGMQXFUDTAH-FCEWJHQRSA-N 1 3 336.451 2.943 20 0 EFADHO COc1cc(C)c(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650707995 481277477 /nfs/dbraw/zinc/27/74/77/481277477.db2.gz RHLUGEAWTAQUQU-CGTJXYLNSA-N 1 3 348.487 2.731 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnc4ccccc4c3)C2)C1 ZINC000650708253 481279061 /nfs/dbraw/zinc/27/90/61/481279061.db2.gz WHPWFOKVFJWHPJ-QWFCFKBJSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000650708596 481279643 /nfs/dbraw/zinc/27/96/43/481279643.db2.gz GLSHRLKELXKGQV-IHPCNDPISA-N 1 3 330.472 2.805 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000650708596 481279650 /nfs/dbraw/zinc/27/96/50/481279650.db2.gz GLSHRLKELXKGQV-IHPCNDPISA-N 1 3 330.472 2.805 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC[C@@H]3CCCO3)cc1)C2 ZINC000650708596 481279656 /nfs/dbraw/zinc/27/96/56/481279656.db2.gz GLSHRLKELXKGQV-IHPCNDPISA-N 1 3 330.472 2.805 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409902 481281454 /nfs/dbraw/zinc/28/14/54/481281454.db2.gz DETGZWMRJYFYSS-HKUYNNGSSA-N 1 3 329.488 2.720 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000646408767 481281582 /nfs/dbraw/zinc/28/15/82/481281582.db2.gz HBPXULNZSCNYRI-QRVBRYPASA-N 1 3 329.488 2.847 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000650717796 481285248 /nfs/dbraw/zinc/28/52/48/481285248.db2.gz MTIIYBLOCXQVLW-ZDUSSCGKSA-N 1 3 345.418 2.800 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650717994 481287630 /nfs/dbraw/zinc/28/76/30/481287630.db2.gz UABLMRGPYSWIOK-ZDUSSCGKSA-N 1 3 345.418 2.800 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000650723708 481291555 /nfs/dbraw/zinc/29/15/55/481291555.db2.gz SDRPVUFNHLVHLL-QRQLOZEOSA-N 1 3 340.471 2.938 20 0 EFADHO CN(C)CCOc1ccc(CN2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000667065097 481292717 /nfs/dbraw/zinc/29/27/17/481292717.db2.gz RNSLZBPFWSYXHH-SFHVURJKSA-N 1 3 325.456 2.517 20 0 EFADHO CC[C@@H]([NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000661759711 481293468 /nfs/dbraw/zinc/29/34/68/481293468.db2.gz YVYFSLIVJQQRQA-HXUWFJFHSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC1CCN(Cc2ccccc2C)CC1)C1CC1 ZINC000661759710 481293693 /nfs/dbraw/zinc/29/36/93/481293693.db2.gz YVYFSLIVJQQRQA-FQEVSTJZSA-N 1 3 343.515 2.854 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000639541211 481296454 /nfs/dbraw/zinc/29/64/54/481296454.db2.gz PUJFLPQKPKLOGI-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCC[N@H+]2CCCC2(C)C)c1 ZINC000639541211 481296463 /nfs/dbraw/zinc/29/64/63/481296463.db2.gz PUJFLPQKPKLOGI-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO Fc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000650741178 481306638 /nfs/dbraw/zinc/30/66/38/481306638.db2.gz ZPAJPDRXZKSJIQ-KFKAGJAMSA-N 1 3 332.463 2.994 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650752065 481314139 /nfs/dbraw/zinc/31/41/39/481314139.db2.gz IKPMERRALICEJV-CYBMUJFWSA-N 1 3 345.418 2.800 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000650752318 481315797 /nfs/dbraw/zinc/31/57/97/481315797.db2.gz OPTBSETWKNRFMQ-CRFBAAHOSA-N 1 3 326.444 2.815 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1C ZINC000659263779 481317482 /nfs/dbraw/zinc/31/74/82/481317482.db2.gz DZCKHYANFGZHPJ-FHLIZLRMSA-N 1 3 329.488 2.620 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000637106685 481318161 /nfs/dbraw/zinc/31/81/61/481318161.db2.gz AFYVHEOEXNQPHE-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2noc3ccccc32)C1 ZINC000653563603 481331670 /nfs/dbraw/zinc/33/16/70/481331670.db2.gz VFGKHPUGOPHTPN-INIZCTEOSA-N 1 3 331.460 2.803 20 0 EFADHO CC[C@H]1CN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC[C@H]1[NH3+] ZINC000667123210 481336851 /nfs/dbraw/zinc/33/68/51/481336851.db2.gz MAQZCAYXCVITAE-JKSUJKDBSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288339 481338043 /nfs/dbraw/zinc/33/80/43/481338043.db2.gz GASDJAVTHGFQBZ-FUHWJXTLSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288339 481338052 /nfs/dbraw/zinc/33/80/52/481338052.db2.gz GASDJAVTHGFQBZ-FUHWJXTLSA-N 1 3 341.499 2.675 20 0 EFADHO CCc1ccc2nccc(N3CCC([N@@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664595450 481358094 /nfs/dbraw/zinc/35/80/94/481358094.db2.gz BVUBWJDGQVGLEI-KRWDZBQOSA-N 1 3 325.456 2.833 20 0 EFADHO CCc1ccc2nccc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664595450 481358099 /nfs/dbraw/zinc/35/80/99/481358099.db2.gz BVUBWJDGQVGLEI-KRWDZBQOSA-N 1 3 325.456 2.833 20 0 EFADHO N[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000659326067 481363758 /nfs/dbraw/zinc/36/37/58/481363758.db2.gz WMYDJXJMASNCQX-ROUUACIJSA-N 1 3 335.451 2.595 20 0 EFADHO CN1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653618095 481366099 /nfs/dbraw/zinc/36/60/99/481366099.db2.gz IBLWDZOBCJAELC-KSSFIOAISA-N 1 3 330.476 2.699 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661878393 481386492 /nfs/dbraw/zinc/38/64/92/481386492.db2.gz NLNHGHCCGFOCPL-UXHICEINSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661878393 481386501 /nfs/dbraw/zinc/38/65/01/481386501.db2.gz NLNHGHCCGFOCPL-UXHICEINSA-N 1 3 337.552 2.684 20 0 EFADHO CCCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000667195797 481391027 /nfs/dbraw/zinc/39/10/27/481391027.db2.gz GYRCQMZSQVBAIT-AEFFLSMTSA-N 1 3 330.476 2.841 20 0 EFADHO CC[N@H+](CCCNC(=O)NC[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC000650859739 481395862 /nfs/dbraw/zinc/39/58/62/481395862.db2.gz PNCWBPTWXSSLGT-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CC[N@@H+](CCCNC(=O)NC[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC000650859739 481395866 /nfs/dbraw/zinc/39/58/66/481395866.db2.gz PNCWBPTWXSSLGT-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCC(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000646618485 481405555 /nfs/dbraw/zinc/40/55/55/481405555.db2.gz QHEQRAZQXTVDBQ-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000646618485 481405567 /nfs/dbraw/zinc/40/55/67/481405567.db2.gz QHEQRAZQXTVDBQ-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)NCC2(N(C)C)CC2)cc1 ZINC000639669255 481413274 /nfs/dbraw/zinc/41/32/74/481413274.db2.gz ZATODGOIUPPOOH-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000659422941 481426337 /nfs/dbraw/zinc/42/63/37/481426337.db2.gz GWHDCBGJPWWHEU-NEWSRXKRSA-N 1 3 344.503 2.592 20 0 EFADHO COc1ccccc1OCCN1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683454 481427262 /nfs/dbraw/zinc/42/72/62/481427262.db2.gz ZLDGVQRBVZPZPR-UHFFFAOYSA-N 1 3 327.428 2.681 20 0 EFADHO CC1CCN(CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646678591 481430647 /nfs/dbraw/zinc/43/06/47/481430647.db2.gz RSKWJBHWCGLXJM-HXUWFJFHSA-N 1 3 343.515 2.714 20 0 EFADHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646678893 481430893 /nfs/dbraw/zinc/43/08/93/481430893.db2.gz HMRZERKJWIHYIX-FQEVSTJZSA-N 1 3 343.515 2.543 20 0 EFADHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646678893 481430898 /nfs/dbraw/zinc/43/08/98/481430898.db2.gz HMRZERKJWIHYIX-FQEVSTJZSA-N 1 3 343.515 2.543 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccsc1 ZINC000659435576 481435004 /nfs/dbraw/zinc/43/50/04/481435004.db2.gz YHNRLPZCQZFECD-CQSZACIVSA-N 1 3 326.510 2.510 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000661951194 481440661 /nfs/dbraw/zinc/44/06/61/481440661.db2.gz JYBZORWDNAUKNU-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000661951194 481440668 /nfs/dbraw/zinc/44/06/68/481440668.db2.gz JYBZORWDNAUKNU-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CCN(CCC[N@@H+]1CCCN(c2ccncc2)CC1)CC(F)(F)F ZINC000639702939 481440734 /nfs/dbraw/zinc/44/07/34/481440734.db2.gz HZTPSEZBCWBBCA-UHFFFAOYSA-N 1 3 344.425 2.868 20 0 EFADHO CCN(CCC[N@H+]1CCCN(c2ccncc2)CC1)CC(F)(F)F ZINC000639702939 481440737 /nfs/dbraw/zinc/44/07/37/481440737.db2.gz HZTPSEZBCWBBCA-UHFFFAOYSA-N 1 3 344.425 2.868 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659460569 481448530 /nfs/dbraw/zinc/44/85/30/481448530.db2.gz YLNIUHFKKIWRIA-HIFRSBDPSA-N 1 3 338.521 2.510 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659460567 481449439 /nfs/dbraw/zinc/44/94/39/481449439.db2.gz YLNIUHFKKIWRIA-DZGCQCFKSA-N 1 3 338.521 2.510 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659463609 481450713 /nfs/dbraw/zinc/45/07/13/481450713.db2.gz AXMSYQPLWJSSPD-SJLPKXTDSA-N 1 3 344.503 2.610 20 0 EFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000643451852 481474659 /nfs/dbraw/zinc/47/46/59/481474659.db2.gz KMTGXIYJHFGPDR-MISYRCLQSA-N 1 3 331.504 2.570 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000643462271 481478693 /nfs/dbraw/zinc/47/86/93/481478693.db2.gz SMELIQBLWCVYAK-YSSFQJQWSA-N 1 3 341.455 2.503 20 0 EFADHO COc1ccc([C@H](N[C@@H]2CCN(CC3CC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000643462736 481479344 /nfs/dbraw/zinc/47/93/44/481479344.db2.gz JIGRLRJEFNEOSZ-RLLQIKCJSA-N 1 3 329.488 2.562 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469407 481482613 /nfs/dbraw/zinc/48/26/13/481482613.db2.gz SPMCBTUTQOROBL-MAZHCROVSA-N 1 3 341.293 2.724 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469409 481482739 /nfs/dbraw/zinc/48/27/39/481482739.db2.gz SPMCBTUTQOROBL-VBNZEHGJSA-N 1 3 341.293 2.724 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000637374379 481490464 /nfs/dbraw/zinc/49/04/64/481490464.db2.gz WWOCURWARVOBLK-PKOBYXMFSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000637374377 481491011 /nfs/dbraw/zinc/49/10/11/481491011.db2.gz WWOCURWARVOBLK-IEBWSBKVSA-N 1 3 348.535 2.521 20 0 EFADHO CCN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000659571766 481499802 /nfs/dbraw/zinc/49/98/02/481499802.db2.gz CAYIHOKFXKRKIV-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)C[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000659574970 481500667 /nfs/dbraw/zinc/50/06/67/481500667.db2.gz RVZIPMBELWAQAX-OAHLLOKOSA-N 1 3 338.883 2.513 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCNC2(CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000643546819 481500875 /nfs/dbraw/zinc/50/08/75/481500875.db2.gz VJVGVSYZBKUMFV-SJLPKXTDSA-N 1 3 329.488 2.849 20 0 EFADHO Cc1c([C@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000643545497 481501522 /nfs/dbraw/zinc/50/15/22/481501522.db2.gz JBPDRHOTLCQKCF-HNNXBMFYSA-N 1 3 325.460 2.845 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000664866559 481526129 /nfs/dbraw/zinc/52/61/29/481526129.db2.gz DSCYHNFHYLEZNW-LNLFQRSKSA-N 1 3 346.519 2.770 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000664866559 481526133 /nfs/dbraw/zinc/52/61/33/481526133.db2.gz DSCYHNFHYLEZNW-LNLFQRSKSA-N 1 3 346.519 2.770 20 0 EFADHO CCCN(C(=O)N[C@@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659646449 481526279 /nfs/dbraw/zinc/52/62/79/481526279.db2.gz NOGQVHPEDNDAGW-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000653936350 481544057 /nfs/dbraw/zinc/54/40/57/481544057.db2.gz RQWYVTCHQDHPMZ-ZWKOTPCHSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000653936350 481544053 /nfs/dbraw/zinc/54/40/53/481544053.db2.gz RQWYVTCHQDHPMZ-ZWKOTPCHSA-N 1 3 330.476 2.887 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637478275 481558593 /nfs/dbraw/zinc/55/85/93/481558593.db2.gz ZDNAITCQQZEFPM-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637478275 481558600 /nfs/dbraw/zinc/55/86/00/481558600.db2.gz ZDNAITCQQZEFPM-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637478274 481558696 /nfs/dbraw/zinc/55/86/96/481558696.db2.gz ZDNAITCQQZEFPM-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637478274 481558709 /nfs/dbraw/zinc/55/87/09/481558709.db2.gz ZDNAITCQQZEFPM-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000648466367 481565084 /nfs/dbraw/zinc/56/50/84/481565084.db2.gz QFWYPSCGABOKJK-UYAOXDASSA-N 1 3 332.488 2.691 20 0 EFADHO CCc1cccnc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000646937061 481565229 /nfs/dbraw/zinc/56/52/29/481565229.db2.gz DSSDPZUHIATCAS-UHFFFAOYSA-N 1 3 344.503 2.779 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)OCCCCO3)CC1 ZINC000648472414 481567797 /nfs/dbraw/zinc/56/77/97/481567797.db2.gz XBRQKYKGSPWQLQ-UHFFFAOYSA-N 1 3 348.487 2.563 20 0 EFADHO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000662129887 481575067 /nfs/dbraw/zinc/57/50/67/481575067.db2.gz NBBRRTOONZHQRX-DQXYTYHJSA-N 1 3 329.488 2.668 20 0 EFADHO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000662129887 481575071 /nfs/dbraw/zinc/57/50/71/481575071.db2.gz NBBRRTOONZHQRX-DQXYTYHJSA-N 1 3 329.488 2.668 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659845689 481590290 /nfs/dbraw/zinc/59/02/90/481590290.db2.gz AIDVRAUWIXEHMZ-HDICACEKSA-N 1 3 325.541 2.540 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659845689 481590300 /nfs/dbraw/zinc/59/03/00/481590300.db2.gz AIDVRAUWIXEHMZ-HDICACEKSA-N 1 3 325.541 2.540 20 0 EFADHO O[C@@H]1CC[N@@H+](C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000662151490 481596326 /nfs/dbraw/zinc/59/63/26/481596326.db2.gz IKSMAXXZPLVWCK-ZBCRRDGASA-N 1 3 334.426 2.886 20 0 EFADHO O[C@@H]1CC[N@H+](C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000662151490 481596329 /nfs/dbraw/zinc/59/63/29/481596329.db2.gz IKSMAXXZPLVWCK-ZBCRRDGASA-N 1 3 334.426 2.886 20 0 EFADHO CC[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@H]1[NH3+] ZINC000647012202 481601510 /nfs/dbraw/zinc/60/15/10/481601510.db2.gz PWDQEYXGLLFBHH-XJKSGUPXSA-N 1 3 329.444 2.694 20 0 EFADHO CC[N@H+](CCCNC(=O)N1CCC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000651220656 481637855 /nfs/dbraw/zinc/63/78/55/481637855.db2.gz QPNSJEVUJLOZAI-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC(=O)N1CCC[C@@H](N(C)C)C1)C1CCCCC1 ZINC000651220656 481637864 /nfs/dbraw/zinc/63/78/64/481637864.db2.gz QPNSJEVUJLOZAI-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000659947364 481659112 /nfs/dbraw/zinc/65/91/12/481659112.db2.gz KXFFEMNYCMKLPZ-RHSMWYFYSA-N 1 3 333.501 2.763 20 0 EFADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659947364 481659118 /nfs/dbraw/zinc/65/91/18/481659118.db2.gz KXFFEMNYCMKLPZ-RHSMWYFYSA-N 1 3 333.501 2.763 20 0 EFADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000659947367 481660002 /nfs/dbraw/zinc/66/00/02/481660002.db2.gz KXFFEMNYCMKLPZ-YOEHRIQHSA-N 1 3 333.501 2.763 20 0 EFADHO CN(CC[C@@H]1Sc2ccccc2NC1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000659947367 481660006 /nfs/dbraw/zinc/66/00/06/481660006.db2.gz KXFFEMNYCMKLPZ-YOEHRIQHSA-N 1 3 333.501 2.763 20 0 EFADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252165 481666688 /nfs/dbraw/zinc/66/66/88/481666688.db2.gz JJQYTRBWXKOVRK-LPHOPBHVSA-N 1 3 343.515 2.849 20 0 EFADHO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252165 481666694 /nfs/dbraw/zinc/66/66/94/481666694.db2.gz JJQYTRBWXKOVRK-LPHOPBHVSA-N 1 3 343.515 2.849 20 0 EFADHO CC[NH+](CC)CCOc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000647151652 481667429 /nfs/dbraw/zinc/66/74/29/481667429.db2.gz LOEWKXLFKXIRMP-INIZCTEOSA-N 1 3 330.432 2.882 20 0 EFADHO CN1CCC(CC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000643978486 481669187 /nfs/dbraw/zinc/66/91/87/481669187.db2.gz MGNHSXNWTLKFKO-UHFFFAOYSA-N 1 3 333.476 2.688 20 0 EFADHO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662259967 481674606 /nfs/dbraw/zinc/67/46/06/481674606.db2.gz DAUKASSUZALPMD-GOSISDBHSA-N 1 3 347.466 2.755 20 0 EFADHO c1ccn2c(c1)nnc2[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662259967 481674616 /nfs/dbraw/zinc/67/46/16/481674616.db2.gz DAUKASSUZALPMD-GOSISDBHSA-N 1 3 347.466 2.755 20 0 EFADHO CCN(CC)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974918 481674737 /nfs/dbraw/zinc/67/47/37/481674737.db2.gz LCSRANFIHMYCKP-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974918 481674741 /nfs/dbraw/zinc/67/47/41/481674741.db2.gz LCSRANFIHMYCKP-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)c1csc([C@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662265156 481678842 /nfs/dbraw/zinc/67/88/42/481678842.db2.gz VCMZWJLBAQBHHA-LSDHHAIUSA-N 1 3 335.517 2.967 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1OC ZINC000647172518 481681711 /nfs/dbraw/zinc/68/17/11/481681711.db2.gz YVORNDAQVIKPDN-DOTOQJQBSA-N 1 3 336.476 2.683 20 0 EFADHO COc1ccc(-c2cc(CN3CCC4(CC[NH2+]C4)CC3)on2)cc1 ZINC000662274807 481684257 /nfs/dbraw/zinc/68/42/57/481684257.db2.gz XHDBFXKWWMWVCR-UHFFFAOYSA-N 1 3 327.428 2.926 20 0 EFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H](CO)c1ccccc1 ZINC000648714300 481687377 /nfs/dbraw/zinc/68/73/77/481687377.db2.gz NBTOQHXWVUSTHR-FQEVSTJZSA-N 1 3 328.456 2.792 20 0 EFADHO CO[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@](C)(CO)C1 ZINC000640004478 481687591 /nfs/dbraw/zinc/68/75/91/481687591.db2.gz MWPRHXQDQRSANN-UXHICEINSA-N 1 3 332.488 2.644 20 0 EFADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000662279888 481688484 /nfs/dbraw/zinc/68/84/84/481688484.db2.gz MZHRVRROGCVNGR-HUUCEWRRSA-N 1 3 347.528 2.722 20 0 EFADHO OCC1(NCCCCOc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000662287396 481690404 /nfs/dbraw/zinc/69/04/04/481690404.db2.gz ZRIFHOLYGNCCMO-UHFFFAOYSA-N 1 3 346.393 2.569 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000647185202 481690926 /nfs/dbraw/zinc/69/09/26/481690926.db2.gz SPMKVHTUJSPZDY-UHFFFAOYSA-N 1 3 339.430 2.646 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291027 481693998 /nfs/dbraw/zinc/69/39/98/481693998.db2.gz NHZQFBKVYIDLDM-NZSAHSFTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1c(-c2cc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)on2)cnn1C ZINC000662292039 481694577 /nfs/dbraw/zinc/69/45/77/481694577.db2.gz LEHFOHOOJGGJHD-MRXNPFEDSA-N 1 3 343.475 2.595 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293676 481696838 /nfs/dbraw/zinc/69/68/38/481696838.db2.gz HYWXTOAXEOHJHT-AEFFLSMTSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293677 481697028 /nfs/dbraw/zinc/69/70/28/481697028.db2.gz HYWXTOAXEOHJHT-FUHWJXTLSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293263 481698149 /nfs/dbraw/zinc/69/81/49/481698149.db2.gz FHVCAVBCKGGMFL-ZMMAXQRCSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294194 481701635 /nfs/dbraw/zinc/70/16/35/481701635.db2.gz BVKXQVSQEGMCGZ-YJBOKZPZSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296514 481702378 /nfs/dbraw/zinc/70/23/78/481702378.db2.gz LMIHNDXCOPCSNJ-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297212 481702491 /nfs/dbraw/zinc/70/24/91/481702491.db2.gz OLAXDTANFLPXHK-PXNSSMCTSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1Nc2ccccc2CC[C@H]1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296149 481703337 /nfs/dbraw/zinc/70/33/37/481703337.db2.gz YACKMQXXQWWSDG-PKOBYXMFSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295894 481703939 /nfs/dbraw/zinc/70/39/39/481703939.db2.gz IQGDBFBVFLTXLY-MAUKXSAKSA-N 1 3 347.478 2.542 20 0 EFADHO Brc1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000662306273 481711179 /nfs/dbraw/zinc/71/11/79/481711179.db2.gz QFKCDSDEWNDMLI-CQSZACIVSA-N 1 3 338.293 2.571 20 0 EFADHO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662305793 481711557 /nfs/dbraw/zinc/71/15/57/481711557.db2.gz VOVZGTMZSDHRCC-GKMDZDJDSA-N 1 3 328.456 2.582 20 0 EFADHO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662305793 481711566 /nfs/dbraw/zinc/71/15/66/481711566.db2.gz VOVZGTMZSDHRCC-GKMDZDJDSA-N 1 3 328.456 2.582 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000667658612 481716256 /nfs/dbraw/zinc/71/62/56/481716256.db2.gz KXTGKWAGQBSIGH-DFQSSKMNSA-N 1 3 346.519 2.931 20 0 EFADHO C[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)[C@@H]1CCC[NH3+] ZINC000662313414 481716945 /nfs/dbraw/zinc/71/69/45/481716945.db2.gz MRGJANNLQDDLED-MLGOLLRUSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313428 481717158 /nfs/dbraw/zinc/71/71/58/481717158.db2.gz NKVFWKXHEYGMTR-IEBWSBKVSA-N 1 3 331.504 2.575 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637718605 481725067 /nfs/dbraw/zinc/72/50/67/481725067.db2.gz HCLVYCUMGFMMFU-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662326788 481727015 /nfs/dbraw/zinc/72/70/15/481727015.db2.gz CAAMEZPMWOCLFY-YSIASYRMSA-N 1 3 330.472 2.630 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662326788 481727021 /nfs/dbraw/zinc/72/70/21/481727021.db2.gz CAAMEZPMWOCLFY-YSIASYRMSA-N 1 3 330.472 2.630 20 0 EFADHO C[C@@H](c1cnccn1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326871 481727849 /nfs/dbraw/zinc/72/78/49/481727849.db2.gz FULRWWVTYUHDME-AWEZNQCLSA-N 1 3 340.475 2.607 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000648792137 481744769 /nfs/dbraw/zinc/74/47/69/481744769.db2.gz UULIULMYDFGVKA-ONCXSQPRSA-N 1 3 343.515 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000648792137 481744772 /nfs/dbraw/zinc/74/47/72/481744772.db2.gz UULIULMYDFGVKA-ONCXSQPRSA-N 1 3 343.515 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000648795675 481746772 /nfs/dbraw/zinc/74/67/72/481746772.db2.gz WRPMTTDJYWREQX-DLTWYDFYSA-N 1 3 335.517 2.587 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000648795675 481746783 /nfs/dbraw/zinc/74/67/83/481746783.db2.gz WRPMTTDJYWREQX-DLTWYDFYSA-N 1 3 335.517 2.587 20 0 EFADHO CN(CCCN(C)C(=O)Nc1cccc(C[NH3+])c1)Cc1ccco1 ZINC000667733368 481769442 /nfs/dbraw/zinc/76/94/42/481769442.db2.gz BEKUVJRLIVVKCW-UHFFFAOYSA-N 1 3 330.432 2.724 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000662379758 481771514 /nfs/dbraw/zinc/77/15/14/481771514.db2.gz RUTPDDNGVYLUPU-KRWDZBQOSA-N 1 3 345.531 2.951 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCN3CCCCCC3)cc21 ZINC000662380318 481772003 /nfs/dbraw/zinc/77/20/03/481772003.db2.gz JLLNYCZEYGNERD-GOSISDBHSA-N 1 3 329.488 2.671 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000660121845 481772033 /nfs/dbraw/zinc/77/20/33/481772033.db2.gz PAQWXYIQAIPDKN-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)(CNC(=O)c1cccc2c1C[NH2+]C2)N1CCc2ccccc2C1 ZINC000662379029 481772227 /nfs/dbraw/zinc/77/22/27/481772227.db2.gz IPBZPIBWZFEBFI-UHFFFAOYSA-N 1 3 349.478 2.857 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667736575 481773117 /nfs/dbraw/zinc/77/31/17/481773117.db2.gz JGXWUZXVWDFKCI-DNVCBOLYSA-N 1 3 338.455 2.787 20 0 EFADHO C[NH+](C)CC1(CNC(=O)Nc2ccc3c(c2)CNCC3)CCCC1 ZINC000667738644 481774526 /nfs/dbraw/zinc/77/45/26/481774526.db2.gz XGUAMWDFKYYFAJ-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386843 481777183 /nfs/dbraw/zinc/77/71/83/481777183.db2.gz NYAOZUIVGXZGRY-HZPDHXFCSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662389415 481780299 /nfs/dbraw/zinc/78/02/99/481780299.db2.gz XDYCBRKBGXCCNX-MAUKXSAKSA-N 1 3 329.488 2.527 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc3c2CNC3)CC1 ZINC000662390970 481780767 /nfs/dbraw/zinc/78/07/67/481780767.db2.gz QWRKKWWIWAPWSM-UHFFFAOYSA-N 1 3 349.478 2.993 20 0 EFADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662397662 481784512 /nfs/dbraw/zinc/78/45/12/481784512.db2.gz HNCDDLDKSWMKNV-AZUAARDMSA-N 1 3 337.467 2.510 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCCC1 ZINC000667753983 481785918 /nfs/dbraw/zinc/78/59/18/481785918.db2.gz KMPYULDQYMWDRP-OAHLLOKOSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000651465108 481792900 /nfs/dbraw/zinc/79/29/00/481792900.db2.gz LGVQRKPYLOYVBP-JYJNAYRXSA-N 1 3 329.488 2.673 20 0 EFADHO Cc1ccc([C@H](CNC(=O)c2cc3c(s2)CCNC3)[NH+](C)C)cc1 ZINC000662416570 481794909 /nfs/dbraw/zinc/79/49/09/481794909.db2.gz DBGJIXKCZOACPE-INIZCTEOSA-N 1 3 343.496 2.735 20 0 EFADHO CC[C@@H](NC)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000662429977 481801793 /nfs/dbraw/zinc/80/17/93/481801793.db2.gz MIRWGJSYFLCBSW-QGZVFWFLSA-N 1 3 330.476 2.920 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637841808 481803529 /nfs/dbraw/zinc/80/35/29/481803529.db2.gz PWROHCVCZHZCCP-GOSISDBHSA-N 1 3 335.451 2.793 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637841808 481803540 /nfs/dbraw/zinc/80/35/40/481803540.db2.gz PWROHCVCZHZCCP-GOSISDBHSA-N 1 3 335.451 2.793 20 0 EFADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662449592 481811213 /nfs/dbraw/zinc/81/12/13/481811213.db2.gz ZDLASELWKJJDCU-SXLOBPIMSA-N 1 3 341.499 2.764 20 0 EFADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@H+](C)Cc1ccccc1 ZINC000662455577 481814246 /nfs/dbraw/zinc/81/42/46/481814246.db2.gz YIFDLUUJZQAALN-AWEZNQCLSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@@H](CNC(=O)c1cc2c(s1)CCNC2)[N@@H+](C)Cc1ccccc1 ZINC000662455577 481814254 /nfs/dbraw/zinc/81/42/54/481814254.db2.gz YIFDLUUJZQAALN-AWEZNQCLSA-N 1 3 343.496 2.644 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000662480144 481830314 /nfs/dbraw/zinc/83/03/14/481830314.db2.gz PRYQJQYVLOQKOT-RBUKOAKNSA-N 1 3 331.504 2.730 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000667819496 481830407 /nfs/dbraw/zinc/83/04/07/481830407.db2.gz UYTWMQUMKVANCY-LJQANCHMSA-N 1 3 338.455 2.884 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662479950 481830638 /nfs/dbraw/zinc/83/06/38/481830638.db2.gz NMCGNLVNTFSNGH-PZJWPPBQSA-N 1 3 349.478 2.954 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662479950 481830646 /nfs/dbraw/zinc/83/06/46/481830646.db2.gz NMCGNLVNTFSNGH-PZJWPPBQSA-N 1 3 349.478 2.954 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1cccs1 ZINC000662493303 481839521 /nfs/dbraw/zinc/83/95/21/481839521.db2.gz JWGLYJKQCJJSMW-HNNXBMFYSA-N 1 3 325.522 2.649 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662508375 481848194 /nfs/dbraw/zinc/84/81/94/481848194.db2.gz AAMWBFMPWGUNDW-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660244305 481852980 /nfs/dbraw/zinc/85/29/80/481852980.db2.gz PGMKAYRYCJCTLV-KDURUIRLSA-N 1 3 339.568 2.930 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000662543183 481868342 /nfs/dbraw/zinc/86/83/42/481868342.db2.gz WRZFOSMKSFBTTR-MOPGFXCFSA-N 1 3 344.503 2.591 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000662561469 481876081 /nfs/dbraw/zinc/87/60/81/481876081.db2.gz KRRJOVVVMROZSP-KXBFYZLASA-N 1 3 327.472 2.967 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)(C)C ZINC000654446690 481876384 /nfs/dbraw/zinc/87/63/84/481876384.db2.gz RZEIAGBXLZUETL-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654451416 481878709 /nfs/dbraw/zinc/87/87/09/481878709.db2.gz VBXDHCQJPYVOKN-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654451416 481878713 /nfs/dbraw/zinc/87/87/13/481878713.db2.gz VBXDHCQJPYVOKN-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662570749 481880675 /nfs/dbraw/zinc/88/06/75/481880675.db2.gz HYYXIFLSQNYLIM-HNNXBMFYSA-N 1 3 329.469 2.604 20 0 EFADHO CN(CCN1CCCCC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662583677 481886287 /nfs/dbraw/zinc/88/62/87/481886287.db2.gz GFUKWVZZASWBKS-GOSISDBHSA-N 1 3 329.488 2.623 20 0 EFADHO COC[C@H](CC(C)(C)C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000651693501 481908310 /nfs/dbraw/zinc/90/83/10/481908310.db2.gz QJKPPIUTFHNGMY-SFHVURJKSA-N 1 3 348.535 2.635 20 0 EFADHO COC[C@@H](CC(C)(C)C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000651693531 481908760 /nfs/dbraw/zinc/90/87/60/481908760.db2.gz SBDVFBULGOGPDB-QGZVFWFLSA-N 1 3 325.541 2.586 20 0 EFADHO [NH3+]C1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC2(CCC2)C1 ZINC000662663272 481921848 /nfs/dbraw/zinc/92/18/48/481921848.db2.gz CNZCSYUZBMHVLH-QGZVFWFLSA-N 1 3 327.472 2.601 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2cccc3c2CCNC3)CCCCCC1 ZINC000662664571 481923461 /nfs/dbraw/zinc/92/34/61/481923461.db2.gz CLHUYQQLRJLUCI-UHFFFAOYSA-N 1 3 329.488 2.717 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662669089 481925649 /nfs/dbraw/zinc/92/56/49/481925649.db2.gz UZNGUYAWGABEGE-VQIMIIECSA-N 1 3 327.472 2.744 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662669089 481925655 /nfs/dbraw/zinc/92/56/55/481925655.db2.gz UZNGUYAWGABEGE-VQIMIIECSA-N 1 3 327.472 2.744 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2(NC3CC3)CCC2)cc1 ZINC000662669758 481925986 /nfs/dbraw/zinc/92/59/86/481925986.db2.gz TVXBIVGGJQCHPD-UHFFFAOYSA-N 1 3 329.488 2.819 20 0 EFADHO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000668008107 481930062 /nfs/dbraw/zinc/93/00/62/481930062.db2.gz NANNRIPJEPELPJ-PMACEKPBSA-N 1 3 341.499 2.563 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)c2cccc3c2CCNC3)CC1 ZINC000662683040 481932362 /nfs/dbraw/zinc/93/23/62/481932362.db2.gz MNKTWGOZCUIUBV-UHFFFAOYSA-N 1 3 329.488 2.574 20 0 EFADHO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc2c(s1)CCNC2 ZINC000662685426 481933350 /nfs/dbraw/zinc/93/33/50/481933350.db2.gz STTVQPJARLNJDV-UHFFFAOYSA-N 1 3 345.468 2.716 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000665557350 481934454 /nfs/dbraw/zinc/93/44/54/481934454.db2.gz SBUJWUBOGQZDHC-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665557399 481935244 /nfs/dbraw/zinc/93/52/44/481935244.db2.gz ULBXRFXLWHLHKU-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)CCN(C(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662697691 481938214 /nfs/dbraw/zinc/93/82/14/481938214.db2.gz AHYRVFYKWSGJGJ-UHFFFAOYSA-N 1 3 329.469 2.602 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660404899 481939439 /nfs/dbraw/zinc/93/94/39/481939439.db2.gz RESKBAGGXKFVQA-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660404899 481939444 /nfs/dbraw/zinc/93/94/44/481939444.db2.gz RESKBAGGXKFVQA-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662726560 481949539 /nfs/dbraw/zinc/94/95/39/481949539.db2.gz KYCOQTUWSLFPKU-BHIYHBOVSA-N 1 3 343.515 2.886 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729866 481952402 /nfs/dbraw/zinc/95/24/02/481952402.db2.gz OJFMGDKLZQZKNA-INIZCTEOSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729866 481952409 /nfs/dbraw/zinc/95/24/09/481952409.db2.gz OJFMGDKLZQZKNA-INIZCTEOSA-N 1 3 343.515 2.963 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H]1c1cccs1 ZINC000662745265 481957366 /nfs/dbraw/zinc/95/73/66/481957366.db2.gz LCTXCJXYWRKJAG-FVQBIDKESA-N 1 3 335.517 2.635 20 0 EFADHO NC1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC2(CCC2)C1 ZINC000662772540 481964679 /nfs/dbraw/zinc/96/46/79/481964679.db2.gz ADUJQUHFBVETAB-UHFFFAOYSA-N 1 3 327.350 2.764 20 0 EFADHO CC1(C)CC[NH2+][C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662787694 481970205 /nfs/dbraw/zinc/97/02/05/481970205.db2.gz BGEGICBYFCVYGM-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO c1ncn(C[C@@H]2CCCN2Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000662795595 481972916 /nfs/dbraw/zinc/97/29/16/481972916.db2.gz IHYFIKALBUCZAZ-FQEVSTJZSA-N 1 3 339.487 2.929 20 0 EFADHO CC[C@@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC000662870862 481999954 /nfs/dbraw/zinc/99/99/54/481999954.db2.gz OBTUCEMYTKFIDX-MRXNPFEDSA-N 1 3 325.884 2.748 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000668169551 482013677 /nfs/dbraw/zinc/01/36/77/482013677.db2.gz UCAVVZAJGMIWOZ-WSTZPKSXSA-N 1 3 346.519 2.644 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000668169551 482013683 /nfs/dbraw/zinc/01/36/83/482013683.db2.gz UCAVVZAJGMIWOZ-WSTZPKSXSA-N 1 3 346.519 2.644 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727227 482015897 /nfs/dbraw/zinc/01/58/97/482015897.db2.gz IEHBYAOPBWJNQT-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727227 482015902 /nfs/dbraw/zinc/01/59/02/482015902.db2.gz IEHBYAOPBWJNQT-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654731912 482022045 /nfs/dbraw/zinc/02/20/45/482022045.db2.gz PKGJZPNHBZNBPE-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654732867 482024070 /nfs/dbraw/zinc/02/40/70/482024070.db2.gz IIVNIEHFFUIZSO-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO COc1cccc(CN(C)CCCN(C)CC[NH+](C)C)c1Cl ZINC000660559010 482026555 /nfs/dbraw/zinc/02/65/55/482026555.db2.gz FRUDTLDYOMNKNF-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572510 482032310 /nfs/dbraw/zinc/03/23/10/482032310.db2.gz RVQYSFYKFFEDGR-ROUUACIJSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572510 482032318 /nfs/dbraw/zinc/03/23/18/482032318.db2.gz RVQYSFYKFFEDGR-ROUUACIJSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572511 482032902 /nfs/dbraw/zinc/03/29/02/482032902.db2.gz RVQYSFYKFFEDGR-ZWKOTPCHSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572511 482032910 /nfs/dbraw/zinc/03/29/10/482032910.db2.gz RVQYSFYKFFEDGR-ZWKOTPCHSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572508 482032993 /nfs/dbraw/zinc/03/29/93/482032993.db2.gz RVQYSFYKFFEDGR-MSOLQXFVSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572508 482033001 /nfs/dbraw/zinc/03/30/01/482033001.db2.gz RVQYSFYKFFEDGR-MSOLQXFVSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665764034 482039785 /nfs/dbraw/zinc/03/97/85/482039785.db2.gz RZCWXUNTLHFYEG-QXAKKESOSA-N 1 3 346.519 2.504 20 0 EFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 ZINC000665764034 482039788 /nfs/dbraw/zinc/03/97/88/482039788.db2.gz RZCWXUNTLHFYEG-QXAKKESOSA-N 1 3 346.519 2.504 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCC1 ZINC000649364155 482042396 /nfs/dbraw/zinc/04/23/96/482042396.db2.gz YSTBQJOCPINVGP-GBESFXJTSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000652032477 482044235 /nfs/dbraw/zinc/04/42/35/482044235.db2.gz XUJWOAFQTWNAKC-JFIYKMOQSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1ccc(CN2CC[C@H](CN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000652032477 482044241 /nfs/dbraw/zinc/04/42/41/482044241.db2.gz XUJWOAFQTWNAKC-JFIYKMOQSA-N 1 3 349.544 2.677 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660634931 482059987 /nfs/dbraw/zinc/05/99/87/482059987.db2.gz XCKPFDLFWHMAPW-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660634931 482059991 /nfs/dbraw/zinc/05/99/91/482059991.db2.gz XCKPFDLFWHMAPW-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413035 482066457 /nfs/dbraw/zinc/06/64/57/482066457.db2.gz IUSJQRYTDPYTMD-OALUTQOASA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413035 482066462 /nfs/dbraw/zinc/06/64/62/482066462.db2.gz IUSJQRYTDPYTMD-OALUTQOASA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413035 482066467 /nfs/dbraw/zinc/06/64/67/482066467.db2.gz IUSJQRYTDPYTMD-OALUTQOASA-N 1 3 342.487 2.888 20 0 EFADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649413574 482066497 /nfs/dbraw/zinc/06/64/97/482066497.db2.gz LNRYQUCMVFSOKZ-OXAFFQKASA-N 1 3 331.548 2.820 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](n3ccnc3C)C2)cc1 ZINC000649413195 482066696 /nfs/dbraw/zinc/06/66/96/482066696.db2.gz PBDFBXGQGIEIHQ-MSOLQXFVSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](n3ccnc3C)C2)cc1 ZINC000649413195 482066697 /nfs/dbraw/zinc/06/66/97/482066697.db2.gz PBDFBXGQGIEIHQ-MSOLQXFVSA-N 1 3 328.460 2.580 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668300711 482077512 /nfs/dbraw/zinc/07/75/12/482077512.db2.gz UEKSPZUNEDZALU-LJQANCHMSA-N 1 3 331.504 2.666 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000652117364 482081530 /nfs/dbraw/zinc/08/15/30/482081530.db2.gz YFTMDOUALQSNBD-LJQANCHMSA-N 1 3 344.503 2.512 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664765 482082624 /nfs/dbraw/zinc/08/26/24/482082624.db2.gz SNQMMOZBBWXOMO-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664765 482082626 /nfs/dbraw/zinc/08/26/26/482082626.db2.gz SNQMMOZBBWXOMO-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665108 482083097 /nfs/dbraw/zinc/08/30/97/482083097.db2.gz UGTXRWMSNGFPBD-GHTZIAJQSA-N 1 3 341.499 2.566 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665108 482083100 /nfs/dbraw/zinc/08/31/00/482083100.db2.gz UGTXRWMSNGFPBD-GHTZIAJQSA-N 1 3 341.499 2.566 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCCC2CC[NH2+]CC2)N(C)C)cc1 ZINC000652119736 482083143 /nfs/dbraw/zinc/08/31/43/482083143.db2.gz WYKRVPGQGJRUKX-IBGZPJMESA-N 1 3 346.519 2.541 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665110 482083591 /nfs/dbraw/zinc/08/35/91/482083591.db2.gz UGTXRWMSNGFPBD-NQIIRXRSSA-N 1 3 341.499 2.566 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665110 482083595 /nfs/dbraw/zinc/08/35/95/482083595.db2.gz UGTXRWMSNGFPBD-NQIIRXRSSA-N 1 3 341.499 2.566 20 0 EFADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)NC1CCCC1 ZINC000660677469 482089342 /nfs/dbraw/zinc/08/93/42/482089342.db2.gz HFVIHINLQQYVLT-UHFFFAOYSA-N 1 3 329.488 2.690 20 0 EFADHO C[C@H]1CCCN1C(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678776 482090150 /nfs/dbraw/zinc/09/01/50/482090150.db2.gz KCXBNODCOFLQET-KRWDZBQOSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652137753 482093029 /nfs/dbraw/zinc/09/30/29/482093029.db2.gz UZZDPCFCYRGJIO-APWZRJJASA-N 1 3 344.503 2.511 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4CCC[C@H]43)CC2)CC1 ZINC000655010942 482130782 /nfs/dbraw/zinc/13/07/82/482130782.db2.gz UUQFWZJZSZGRAW-VQIMIIECSA-N 1 3 333.520 2.584 20 0 EFADHO [NH3+]C1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000668490911 482142916 /nfs/dbraw/zinc/14/29/16/482142916.db2.gz IHRYRPHPGHJAPO-SFHVURJKSA-N 1 3 344.503 2.784 20 0 EFADHO CC[N@@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000660785991 482144713 /nfs/dbraw/zinc/14/47/13/482144713.db2.gz FQUOECCKMVJJGP-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000660785991 482144715 /nfs/dbraw/zinc/14/47/15/482144715.db2.gz FQUOECCKMVJJGP-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1=CCCOC1 ZINC000668568445 482172061 /nfs/dbraw/zinc/17/20/61/482172061.db2.gz HJGCUEZFNIFAQH-UHFFFAOYSA-N 1 3 330.472 2.940 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC000666090265 482177743 /nfs/dbraw/zinc/17/77/43/482177743.db2.gz SKCHKNTVFZOYMW-DLBZAZTESA-N 1 3 347.934 2.955 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC000666090268 482177859 /nfs/dbraw/zinc/17/78/59/482177859.db2.gz SKCHKNTVFZOYMW-SJORKVTESA-N 1 3 347.934 2.955 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000652349432 482184119 /nfs/dbraw/zinc/18/41/19/482184119.db2.gz ORMDVYUGDXBTDY-JGGQBBKZSA-N 1 3 343.393 2.819 20 0 EFADHO CCOc1ccccc1OCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347630 482184461 /nfs/dbraw/zinc/18/44/61/482184461.db2.gz HMOYVXSIGYLOFH-QKLQHJQFSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000652351937 482185721 /nfs/dbraw/zinc/18/57/21/482185721.db2.gz KJZLRDVLXDLNPS-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000652351937 482185723 /nfs/dbraw/zinc/18/57/23/482185723.db2.gz KJZLRDVLXDLNPS-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000652351937 482185727 /nfs/dbraw/zinc/18/57/27/482185727.db2.gz KJZLRDVLXDLNPS-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C4CCC4)CC3)CC2)CC1 ZINC000655164007 482190108 /nfs/dbraw/zinc/19/01/08/482190108.db2.gz FREBZMZXRDZSLX-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1(C)C ZINC000666134834 482190726 /nfs/dbraw/zinc/19/07/26/482190726.db2.gz NWEGXUYXITXSRG-INIZCTEOSA-N 1 3 335.923 2.813 20 0 EFADHO COc1c(C)cnc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1C ZINC000652362476 482194829 /nfs/dbraw/zinc/19/48/29/482194829.db2.gz IAWZWIRDBMZFRZ-NXHRZFHOSA-N 1 3 333.476 2.568 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CC[C@H]1[NH3+] ZINC000668660966 482203979 /nfs/dbraw/zinc/20/39/79/482203979.db2.gz IWGLCTUHQYHXBL-BHIYHBOVSA-N 1 3 346.519 2.838 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000668660985 482204517 /nfs/dbraw/zinc/20/45/17/482204517.db2.gz JHGMHDMNBWCXFV-KRWDZBQOSA-N 1 3 332.492 2.592 20 0 EFADHO CCCc1cc(NCCN2CCN(CC)CC2)c2ccccc2[nH+]1 ZINC000663398342 482207749 /nfs/dbraw/zinc/20/77/49/482207749.db2.gz QUGMRLRAVQBOLS-UHFFFAOYSA-N 1 3 326.488 2.659 20 0 EFADHO CC(C)N(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000660902082 482208507 /nfs/dbraw/zinc/20/85/07/482208507.db2.gz JDJFMCFUGMSALR-RTWAWAEBSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)N(C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000660902082 482208511 /nfs/dbraw/zinc/20/85/11/482208511.db2.gz JDJFMCFUGMSALR-RTWAWAEBSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)Oc1ccc2nccc(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000663401952 482210755 /nfs/dbraw/zinc/21/07/55/482210755.db2.gz AIUBYVNUXPACKT-UHFFFAOYSA-N 1 3 343.471 2.703 20 0 EFADHO CCCc1ccc2nccc(NCCC[NH+]3CCC(O)CC3)c2c1 ZINC000663403245 482212666 /nfs/dbraw/zinc/21/26/66/482212666.db2.gz ROVPCWDMNDCZIS-UHFFFAOYSA-N 1 3 327.472 2.868 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CO2 ZINC000663467115 482253805 /nfs/dbraw/zinc/25/38/05/482253805.db2.gz ZPLJIIXULYIZBI-WMZOPIPTSA-N 1 3 330.472 2.710 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668800029 482270699 /nfs/dbraw/zinc/27/06/99/482270699.db2.gz VYEJEQJKGIHUPS-ICSRJNTNSA-N 1 3 343.515 2.666 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C1(CO)CCC1)C1CCN(C)CC1 ZINC000668802740 482272597 /nfs/dbraw/zinc/27/25/97/482272597.db2.gz WMGGRWQDTSLZAR-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C1(CO)CCC1)C1CCN(C)CC1 ZINC000668802740 482272604 /nfs/dbraw/zinc/27/26/04/482272604.db2.gz WMGGRWQDTSLZAR-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000663580297 482307742 /nfs/dbraw/zinc/30/77/42/482307742.db2.gz OULIBWPVSNDXBI-KRWDZBQOSA-N 1 3 346.519 2.599 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc2c(c1)CNC2 ZINC000663599980 482316835 /nfs/dbraw/zinc/31/68/35/482316835.db2.gz OEVAMLUHQLVIGR-OAHLLOKOSA-N 1 3 328.460 2.533 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc2c(c1)CNC2 ZINC000663599980 482316837 /nfs/dbraw/zinc/31/68/37/482316837.db2.gz OEVAMLUHQLVIGR-OAHLLOKOSA-N 1 3 328.460 2.533 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccsc1 ZINC000663621242 482324281 /nfs/dbraw/zinc/32/42/81/482324281.db2.gz UJDPCVBQQGTEQX-GOEBONIOSA-N 1 3 340.537 2.770 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccsc1 ZINC000663621246 482324577 /nfs/dbraw/zinc/32/45/77/482324577.db2.gz UJDPCVBQQGTEQX-ZBFHGGJFSA-N 1 3 340.537 2.770 20 0 EFADHO c1cn(C[C@@H]2CC[N@H+](Cc3cccc(CN4CCCCC4)c3)C2)nn1 ZINC000661143156 482342295 /nfs/dbraw/zinc/34/22/95/482342295.db2.gz SQSLHNYFALWZBH-HXUWFJFHSA-N 1 3 339.487 2.786 20 0 EFADHO c1cn(C[C@@H]2CC[N@@H+](Cc3cccc(CN4CCCCC4)c3)C2)nn1 ZINC000661143156 482342300 /nfs/dbraw/zinc/34/23/00/482342300.db2.gz SQSLHNYFALWZBH-HXUWFJFHSA-N 1 3 339.487 2.786 20 0 EFADHO c1cn(C[C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000661143156 482342304 /nfs/dbraw/zinc/34/23/04/482342304.db2.gz SQSLHNYFALWZBH-HXUWFJFHSA-N 1 3 339.487 2.786 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000669129437 482385265 /nfs/dbraw/zinc/38/52/65/482385265.db2.gz ZZNLHWYHRAHEGC-YZGWKJHDSA-N 1 3 343.515 2.807 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000663846784 482405215 /nfs/dbraw/zinc/40/52/15/482405215.db2.gz LGEWGKXWHIWNMP-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N2CCCC2)cc1 ZINC000663869697 482413599 /nfs/dbraw/zinc/41/35/99/482413599.db2.gz AZKIULNIPNTHBT-PKOBYXMFSA-N 1 3 346.519 2.771 20 0 EFADHO COC(=O)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173961200 534103493 /nfs/dbraw/zinc/10/34/93/534103493.db2.gz VKYRUGYQDZZVNM-UHFFFAOYSA-N 1 3 346.471 2.550 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187307861 534289740 /nfs/dbraw/zinc/28/97/40/534289740.db2.gz KAVRDQVOUIGLSH-XLIONFOSSA-N 1 3 342.483 2.964 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187307861 534289743 /nfs/dbraw/zinc/28/97/43/534289743.db2.gz KAVRDQVOUIGLSH-XLIONFOSSA-N 1 3 342.483 2.964 20 0 EFADHO CC(C)C[NH+]1CCC(N[C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000177836322 519720530 /nfs/dbraw/zinc/72/05/30/519720530.db2.gz ZIKGNBCVNCQGLT-ZDUSSCGKSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000156718251 519730973 /nfs/dbraw/zinc/73/09/73/519730973.db2.gz GQNPARIAEZPVFH-IBGZPJMESA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000156718251 519730976 /nfs/dbraw/zinc/73/09/76/519730976.db2.gz GQNPARIAEZPVFH-IBGZPJMESA-N 1 3 346.519 2.525 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181492380 520365944 /nfs/dbraw/zinc/36/59/44/520365944.db2.gz VLFYUSJBXRKRJX-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000236856237 521214592 /nfs/dbraw/zinc/21/45/92/521214592.db2.gz PXQNQZFVOPMQIY-KRWDZBQOSA-N 1 3 333.476 2.926 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C[C@@H]1OC ZINC000182266576 521699639 /nfs/dbraw/zinc/69/96/39/521699639.db2.gz WZWWRZFCLSNXQH-ZCNNSNEGSA-N 1 3 346.515 2.937 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O[C@@H]2CCOC2)[C@H](C)C1 ZINC000120569860 521721017 /nfs/dbraw/zinc/72/10/17/521721017.db2.gz DUOBAGGXSWQWFQ-QRQLOZEOSA-N 1 3 332.488 2.983 20 0 EFADHO CCc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341169 521761983 /nfs/dbraw/zinc/76/19/83/521761983.db2.gz DJDLKDYBXQZEST-UHFFFAOYSA-N 1 3 344.503 2.929 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181627071 521807233 /nfs/dbraw/zinc/80/72/33/521807233.db2.gz SKCZSHYYJMPYGV-UHOSZYNNSA-N 1 3 332.488 2.920 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000154712728 521913909 /nfs/dbraw/zinc/91/39/09/521913909.db2.gz UHTDGWFQNXRBSW-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000156682273 521914029 /nfs/dbraw/zinc/91/40/29/521914029.db2.gz RHTCLAWFXOWCRK-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO COC1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCC1 ZINC000181084588 522630730 /nfs/dbraw/zinc/63/07/30/522630730.db2.gz KWLZRKVFMNDLMS-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237031587 523021561 /nfs/dbraw/zinc/02/15/61/523021561.db2.gz FSJWIAYHEXTZPA-IBGZPJMESA-N 1 3 343.515 2.689 20 0 EFADHO COc1ccc(Br)c(CNCC2CC[NH+](C)CC2)c1 ZINC000087787972 523483629 /nfs/dbraw/zinc/48/36/29/523483629.db2.gz CETWOUHZYUMLTQ-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000153740216 523584462 /nfs/dbraw/zinc/58/44/62/523584462.db2.gz WJCXTDRPHIPRLS-CQSZACIVSA-N 1 3 333.476 2.535 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000153740216 523584470 /nfs/dbraw/zinc/58/44/70/523584470.db2.gz WJCXTDRPHIPRLS-CQSZACIVSA-N 1 3 333.476 2.535 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000179394368 523766595 /nfs/dbraw/zinc/76/65/95/523766595.db2.gz CFUWNXNDAOGOLQ-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000179394378 523767889 /nfs/dbraw/zinc/76/78/89/523767889.db2.gz CFUWNXNDAOGOLQ-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000178816341 523839766 /nfs/dbraw/zinc/83/97/66/523839766.db2.gz RVRRVARFORBUEA-CRAIPNDOSA-N 1 3 335.517 2.637 20 0 EFADHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000195341529 523984005 /nfs/dbraw/zinc/98/40/05/523984005.db2.gz DWGARHGHLTUKLW-UHFFFAOYSA-N 1 3 344.503 2.929 20 0 EFADHO COc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)[C@H](CO)C(C)C)cc1 ZINC000179920233 524011792 /nfs/dbraw/zinc/01/17/92/524011792.db2.gz YEZUJFHLLOFVRH-UYAOXDASSA-N 1 3 334.504 2.998 20 0 EFADHO COc1ccc(CN(CC[C@H]2CCC[N@H+]2C)[C@H](CO)C(C)C)cc1 ZINC000179920233 524011796 /nfs/dbraw/zinc/01/17/96/524011796.db2.gz YEZUJFHLLOFVRH-UYAOXDASSA-N 1 3 334.504 2.998 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000120666618 524024389 /nfs/dbraw/zinc/02/43/89/524024389.db2.gz KEYJWTOGVLREKN-QFBILLFUSA-N 1 3 332.488 2.922 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000120676214 524024818 /nfs/dbraw/zinc/02/48/18/524024818.db2.gz ZEBZLMZTWNMKMT-UWJYYQICSA-N 1 3 345.531 2.837 20 0 EFADHO CN(CCNC(=O)N(CC[NH+](C)C)C1CCCC1)Cc1ccccc1 ZINC000119879318 524059090 /nfs/dbraw/zinc/05/90/90/524059090.db2.gz WXWGOFNOWKYNQQ-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000195637591 524364703 /nfs/dbraw/zinc/36/47/03/524364703.db2.gz CYDSHAMDBZSASE-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000195637591 524364712 /nfs/dbraw/zinc/36/47/12/524364712.db2.gz CYDSHAMDBZSASE-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C[C@H](C)O1 ZINC000245860181 524944478 /nfs/dbraw/zinc/94/44/78/524944478.db2.gz HTUGULYSYWNZQA-ZWJWXYIHSA-N 1 3 336.520 2.813 20 0 EFADHO C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182709025 525107352 /nfs/dbraw/zinc/10/73/52/525107352.db2.gz ZSWJDFORNMQZOL-TWMKSMIVSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182709025 525107354 /nfs/dbraw/zinc/10/73/54/525107354.db2.gz ZSWJDFORNMQZOL-TWMKSMIVSA-N 1 3 348.535 2.564 20 0 EFADHO COc1ccc([C@@H](C)NCCOCC[NH+](C)C)cc1Br ZINC000219322310 525150459 /nfs/dbraw/zinc/15/04/59/525150459.db2.gz XOYQQCPASUBWKG-GFCCVEGCSA-N 1 3 345.281 2.687 20 0 EFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182384080 525190527 /nfs/dbraw/zinc/19/05/27/525190527.db2.gz XYMVNJRTUIXJQH-CVEARBPZSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H](NC(=O)NC1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182384080 525190533 /nfs/dbraw/zinc/19/05/33/525190533.db2.gz XYMVNJRTUIXJQH-CVEARBPZSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000153906444 525285635 /nfs/dbraw/zinc/28/56/35/525285635.db2.gz POHKSFFUTBOXLV-HBFSDRIKSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000263216888 525863497 /nfs/dbraw/zinc/86/34/97/525863497.db2.gz KZLLYFDIGAKHFJ-AZUAARDMSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000237409492 526097538 /nfs/dbraw/zinc/09/75/38/526097538.db2.gz ZODRUDWXLFRLAO-UZLBHIALSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@@H](c1ccccn1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000177295062 526114276 /nfs/dbraw/zinc/11/42/76/526114276.db2.gz JMNYEDPRBOATAF-INIZCTEOSA-N 1 3 346.519 2.559 20 0 EFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152804194 526382404 /nfs/dbraw/zinc/38/24/04/526382404.db2.gz DNFSODBIUWNPES-WMZOPIPTSA-N 1 3 347.478 2.544 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000414068179 536499563 /nfs/dbraw/zinc/49/95/63/536499563.db2.gz AUOPQNLMZNPFKB-ZACQAIPSSA-N 1 3 335.492 2.500 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000158604785 528775568 /nfs/dbraw/zinc/77/55/68/528775568.db2.gz CIWKWBLNCWUXEY-MJGOQNOKSA-N 1 3 329.488 2.918 20 0 EFADHO CCN1CCC(n2nccc2NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184221239 528991067 /nfs/dbraw/zinc/99/10/67/528991067.db2.gz ILCOVRMDWDHIQV-UHFFFAOYSA-N 1 3 347.507 2.778 20 0 EFADHO CC[C@@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000176258983 529326741 /nfs/dbraw/zinc/32/67/41/529326741.db2.gz VNMRNHUDWTVIEB-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000347718434 535054086 /nfs/dbraw/zinc/05/40/86/535054086.db2.gz KTGBBACDQJLKFQ-MSOLQXFVSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417093620 535061122 /nfs/dbraw/zinc/06/11/22/535061122.db2.gz BTBKJPUGAGQUEU-RTBURBONSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417225844 535061928 /nfs/dbraw/zinc/06/19/28/535061928.db2.gz YQXPQUBGFYGSMK-YTQUADARSA-N 1 3 346.519 2.837 20 0 EFADHO CC(C)n1ccc(C[C@@H](C)NCc2ccncc2OCC[NH+](C)C)n1 ZINC000343983894 535091893 /nfs/dbraw/zinc/09/18/93/535091893.db2.gz LNRKYUQCEHNTDO-MRXNPFEDSA-N 1 3 345.491 2.520 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000411329059 535158468 /nfs/dbraw/zinc/15/84/68/535158468.db2.gz SMFIEBJSYYMONH-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(F)c3cccnc23)CC1 ZINC000344676288 535165211 /nfs/dbraw/zinc/16/52/11/535165211.db2.gz RZRDEGATLNOGBC-UHFFFAOYSA-N 1 3 331.435 2.699 20 0 EFADHO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414202726 535184313 /nfs/dbraw/zinc/18/43/13/535184313.db2.gz UPIWNOUXGASXEN-RBUKOAKNSA-N 1 3 337.552 2.587 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418436838 535187109 /nfs/dbraw/zinc/18/71/09/535187109.db2.gz JHJMMGJWVXLEFD-QGZVFWFLSA-N 1 3 346.519 2.667 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418432024 535188522 /nfs/dbraw/zinc/18/85/22/535188522.db2.gz YKNAJRDOXOVXOO-KRWDZBQOSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000346276208 535205360 /nfs/dbraw/zinc/20/53/60/535205360.db2.gz GZQWUTHBDMTJCU-SJORKVTESA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)CO[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344114387 535213074 /nfs/dbraw/zinc/21/30/74/535213074.db2.gz VRSNTTZWSZJMHV-OALUTQOASA-N 1 3 349.519 2.951 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000236871734 535457157 /nfs/dbraw/zinc/45/71/57/535457157.db2.gz WLIJNRTURSYGEW-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000349968749 535482702 /nfs/dbraw/zinc/48/27/02/535482702.db2.gz VMZJSDFCZLUOOK-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CCOc1ccccc1CN(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000349065091 535504742 /nfs/dbraw/zinc/50/47/42/535504742.db2.gz XHXAJXPTWOERDZ-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1ccccc1CN(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000349065091 535504745 /nfs/dbraw/zinc/50/47/45/535504745.db2.gz XHXAJXPTWOERDZ-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355759542 535506010 /nfs/dbraw/zinc/50/60/10/535506010.db2.gz BIUCBXMYSVALNZ-KRWDZBQOSA-N 1 3 326.529 2.621 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000343505517 535526383 /nfs/dbraw/zinc/52/63/83/535526383.db2.gz NCDGFIWUPDGXOB-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000343505517 535526386 /nfs/dbraw/zinc/52/63/86/535526386.db2.gz NCDGFIWUPDGXOB-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000343505520 535526459 /nfs/dbraw/zinc/52/64/59/535526459.db2.gz NCDGFIWUPDGXOB-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000343505520 535526462 /nfs/dbraw/zinc/52/64/62/535526462.db2.gz NCDGFIWUPDGXOB-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccccc2C)[C@H](C)C1 ZINC000343455172 535526642 /nfs/dbraw/zinc/52/66/42/535526642.db2.gz CFLHNXGSZVKQGI-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccccc2C)[C@H](C)C1 ZINC000343455172 535526647 /nfs/dbraw/zinc/52/66/47/535526647.db2.gz CFLHNXGSZVKQGI-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccccc2C)[C@@H](C)C1 ZINC000343455174 535526763 /nfs/dbraw/zinc/52/67/63/535526763.db2.gz CFLHNXGSZVKQGI-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccccc2C)[C@@H](C)C1 ZINC000343455174 535526765 /nfs/dbraw/zinc/52/67/65/535526765.db2.gz CFLHNXGSZVKQGI-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662424 535580879 /nfs/dbraw/zinc/58/08/79/535580879.db2.gz GHKXJPVBYIXEGW-XUVXKRRUSA-N 1 3 343.515 2.697 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662424 535580884 /nfs/dbraw/zinc/58/08/84/535580884.db2.gz GHKXJPVBYIXEGW-XUVXKRRUSA-N 1 3 343.515 2.697 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)ccc1F ZINC000349072510 535594340 /nfs/dbraw/zinc/59/43/40/535594340.db2.gz IXAOYZTVVSPCDD-KRWDZBQOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)ccc1F ZINC000349072510 535594345 /nfs/dbraw/zinc/59/43/45/535594345.db2.gz IXAOYZTVVSPCDD-KRWDZBQOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)(C)C ZINC000342862518 535595293 /nfs/dbraw/zinc/59/52/93/535595293.db2.gz SSFZQTWBQYVMLI-SJORKVTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@@H](C)C(C)(C)C ZINC000342862518 535595294 /nfs/dbraw/zinc/59/52/94/535595294.db2.gz SSFZQTWBQYVMLI-SJORKVTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000266022611 535599165 /nfs/dbraw/zinc/59/91/65/535599165.db2.gz XHNVLNBTLDAMJF-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000359226369 535605888 /nfs/dbraw/zinc/60/58/88/535605888.db2.gz KJDHBWSHFLCYKA-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1 ZINC000343592364 535606383 /nfs/dbraw/zinc/60/63/83/535606383.db2.gz CQAMGARPLNCPTL-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)c1 ZINC000343630853 535607161 /nfs/dbraw/zinc/60/71/61/535607161.db2.gz QTXAMBJAQAPBPW-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000236880701 535675165 /nfs/dbraw/zinc/67/51/65/535675165.db2.gz GWYUWLDPDDMVDJ-ZHALLVOQSA-N 1 3 347.503 2.712 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000343507150 535693095 /nfs/dbraw/zinc/69/30/95/535693095.db2.gz HQBXEGZNZLBFQV-SFHVURJKSA-N 1 3 349.494 2.829 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000349713823 535719839 /nfs/dbraw/zinc/71/98/39/535719839.db2.gz LTNPBTMFJDCHJL-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000346421125 535721379 /nfs/dbraw/zinc/72/13/79/535721379.db2.gz SJOWFQKQCYDXJZ-FXAWDEMLSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000346421125 535721381 /nfs/dbraw/zinc/72/13/81/535721381.db2.gz SJOWFQKQCYDXJZ-FXAWDEMLSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000344693494 535753283 /nfs/dbraw/zinc/75/32/83/535753283.db2.gz KPEGSWYDFRSEIK-OALUTQOASA-N 1 3 331.504 2.732 20 0 EFADHO CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696066 535773822 /nfs/dbraw/zinc/77/38/22/535773822.db2.gz ATIXSXCKXTWDTN-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696066 535773827 /nfs/dbraw/zinc/77/38/27/535773827.db2.gz ATIXSXCKXTWDTN-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@@H+]1C[C@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000351719293 535779899 /nfs/dbraw/zinc/77/98/99/535779899.db2.gz LUOLFCYPAXJNDM-UXHICEINSA-N 1 3 344.547 2.613 20 0 EFADHO CC[N@H+]1C[C@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000351719293 535779901 /nfs/dbraw/zinc/77/99/01/535779901.db2.gz LUOLFCYPAXJNDM-UXHICEINSA-N 1 3 344.547 2.613 20 0 EFADHO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OCC(=O)N(C)C ZINC000359373027 535802886 /nfs/dbraw/zinc/80/28/86/535802886.db2.gz SYNOVTKQZRTTSJ-QGZVFWFLSA-N 1 3 349.519 2.782 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCO2 ZINC000363783168 535809036 /nfs/dbraw/zinc/80/90/36/535809036.db2.gz JABXFARHDZFZND-AZUAARDMSA-N 1 3 343.515 2.831 20 0 EFADHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000360572451 535876769 /nfs/dbraw/zinc/87/67/69/535876769.db2.gz KLQRCJUNFGCRRS-IRXDYDNUSA-N 1 3 330.476 2.611 20 0 EFADHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(-c2ccccc2)n1 ZINC000342919785 535892666 /nfs/dbraw/zinc/89/26/66/535892666.db2.gz WDVAWWKVKRWKRP-UHFFFAOYSA-N 1 3 342.487 2.630 20 0 EFADHO CC[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000349452628 535905936 /nfs/dbraw/zinc/90/59/36/535905936.db2.gz KDJAEHOPVWLBPK-SFHVURJKSA-N 1 3 330.476 2.644 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414878256 535911605 /nfs/dbraw/zinc/91/16/05/535911605.db2.gz GXCUFOHSHRMBDX-SFHVURJKSA-N 1 3 348.491 2.656 20 0 EFADHO C[NH+](C)CCOc1cnccc1CN[C@@H]1Cc2ccc(Cl)cc2C1 ZINC000344000149 535919297 /nfs/dbraw/zinc/91/92/97/535919297.db2.gz WEGCVWYQFXXXLZ-GOSISDBHSA-N 1 3 345.874 2.932 20 0 EFADHO CN(C)C[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418379172 535941180 /nfs/dbraw/zinc/94/11/80/535941180.db2.gz CTULEOJKZJVPRI-UYSNPLJNSA-N 1 3 338.883 2.512 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000265056828 535943714 /nfs/dbraw/zinc/94/37/14/535943714.db2.gz XVRNNQRWAAKLSZ-LBPRGKRZSA-N 1 3 327.831 2.691 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000265056828 535943721 /nfs/dbraw/zinc/94/37/21/535943721.db2.gz XVRNNQRWAAKLSZ-LBPRGKRZSA-N 1 3 327.831 2.691 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1CCC(C[NH3+])CC1 ZINC000343643731 535975439 /nfs/dbraw/zinc/97/54/39/535975439.db2.gz BWCBDZRTLFNVDL-UHFFFAOYSA-N 1 3 343.471 2.989 20 0 EFADHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000360208099 536026212 /nfs/dbraw/zinc/02/62/12/536026212.db2.gz JWOONILUIYZSJZ-LJQANCHMSA-N 1 3 343.446 2.920 20 0 EFADHO CNC(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000412055668 536327704 /nfs/dbraw/zinc/32/77/04/536327704.db2.gz PVBCGNNSTMYNLQ-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365187074 536389568 /nfs/dbraw/zinc/38/95/68/536389568.db2.gz YXCURIKTIHFAEH-FUHIMQAGSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365187074 536389570 /nfs/dbraw/zinc/38/95/70/536389570.db2.gz YXCURIKTIHFAEH-FUHIMQAGSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418663598 536470726 /nfs/dbraw/zinc/47/07/26/536470726.db2.gz XYWWNMPXELSKAK-GBESFXJTSA-N 1 3 344.503 2.592 20 0 EFADHO COC(=O)[C@H](CC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000425425126 536663970 /nfs/dbraw/zinc/66/39/70/536663970.db2.gz OBQLZLPMIXVBLT-QRVBRYPASA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@H](CC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000425425126 536663975 /nfs/dbraw/zinc/66/39/75/536663975.db2.gz OBQLZLPMIXVBLT-QRVBRYPASA-N 1 3 330.472 2.749 20 0 EFADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](CN)C3CC3)c2)cc1 ZINC000414811027 536778217 /nfs/dbraw/zinc/77/82/17/536778217.db2.gz VXSRPGZHLQXZTL-IBGZPJMESA-N 1 3 339.439 2.774 20 0 EFADHO COc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422941201 536810184 /nfs/dbraw/zinc/81/01/84/536810184.db2.gz OGLCPZRIHKLGPF-ZTFGCOKTSA-N 1 3 348.487 2.859 20 0 EFADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422941200 536810234 /nfs/dbraw/zinc/81/02/34/536810234.db2.gz OGLCPZRIHKLGPF-JCGIZDLHSA-N 1 3 348.487 2.859 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)C2CC2)cc1 ZINC000351472671 536857278 /nfs/dbraw/zinc/85/72/78/536857278.db2.gz BPPBIKJFEZBJES-BEFAXECRSA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)C2CC2)cc1 ZINC000351472671 536857284 /nfs/dbraw/zinc/85/72/84/536857284.db2.gz BPPBIKJFEZBJES-BEFAXECRSA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc([C@@H](C)CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000349062712 536885297 /nfs/dbraw/zinc/88/52/97/536885297.db2.gz NRVDLJMATVLNSO-KRWDZBQOSA-N 1 3 333.520 2.757 20 0 EFADHO COc1ccc([C@@H](C)CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000349062712 536885300 /nfs/dbraw/zinc/88/53/00/536885300.db2.gz NRVDLJMATVLNSO-KRWDZBQOSA-N 1 3 333.520 2.757 20 0 EFADHO COc1cccc(-c2nn(C(C)(C)C)cc2CNC[C@@H](C)C[NH3+])c1 ZINC000414876294 537070239 /nfs/dbraw/zinc/07/02/39/537070239.db2.gz LCJRASAJRBEGOW-AWEZNQCLSA-N 1 3 330.476 2.998 20 0 EFADHO CN1CCC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000261810396 545621220 /nfs/dbraw/zinc/62/12/20/545621220.db2.gz RUHKZAYYFBSYFL-LUXYFRNMSA-N 1 3 335.517 2.765 20 0 EFADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000339070619 545922484 /nfs/dbraw/zinc/92/24/84/545922484.db2.gz NQADAFBJIYXVKB-UXHICEINSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339070619 545922488 /nfs/dbraw/zinc/92/24/88/545922488.db2.gz NQADAFBJIYXVKB-UXHICEINSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339070619 545922490 /nfs/dbraw/zinc/92/24/90/545922490.db2.gz NQADAFBJIYXVKB-UXHICEINSA-N 1 3 341.499 2.816 20 0 EFADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067003 545922541 /nfs/dbraw/zinc/92/25/41/545922541.db2.gz HLMJLQPAEASZIP-IRXDYDNUSA-N 1 3 330.472 2.952 20 0 EFADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067003 545922542 /nfs/dbraw/zinc/92/25/42/545922542.db2.gz HLMJLQPAEASZIP-IRXDYDNUSA-N 1 3 330.472 2.952 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339232873 545924445 /nfs/dbraw/zinc/92/44/45/545924445.db2.gz NJVPWEABZISZID-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339232873 545924449 /nfs/dbraw/zinc/92/44/49/545924449.db2.gz NJVPWEABZISZID-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352089497 546047119 /nfs/dbraw/zinc/04/71/19/546047119.db2.gz MRJRKQGPCTWTPW-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](C)C[C@H]2c2ccccc2)CC1 ZINC000353206645 546058197 /nfs/dbraw/zinc/05/81/97/546058197.db2.gz RZKCVFHEAKLXTF-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000353206647 546058353 /nfs/dbraw/zinc/05/83/53/546058353.db2.gz RZKCVFHEAKLXTF-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000357289343 546102957 /nfs/dbraw/zinc/10/29/57/546102957.db2.gz AUPRJAXDNSJNND-QFBILLFUSA-N 1 3 347.503 2.679 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000357289343 546102959 /nfs/dbraw/zinc/10/29/59/546102959.db2.gz AUPRJAXDNSJNND-QFBILLFUSA-N 1 3 347.503 2.679 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390971005 546164017 /nfs/dbraw/zinc/16/40/17/546164017.db2.gz QZDUDOJEOPHSRI-VQTJNVASSA-N 1 3 347.547 2.578 20 0 EFADHO C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000414291827 546188658 /nfs/dbraw/zinc/18/86/58/546188658.db2.gz ATTITBCOSYMEFV-XYPHTWIQSA-N 1 3 342.430 2.826 20 0 EFADHO CCCC[C@H](CN)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000414817659 546193824 /nfs/dbraw/zinc/19/38/24/546193824.db2.gz SPOFDBCZIPFKFT-LLVKDONJSA-N 1 3 329.238 2.785 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417005582 546206250 /nfs/dbraw/zinc/20/62/50/546206250.db2.gz JBCQNEUULMPQGG-BZUAXINKSA-N 1 3 338.521 2.700 20 0 EFADHO CC[C@]1(CO)CCCN([C@@H](C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460925 546220660 /nfs/dbraw/zinc/22/06/60/546220660.db2.gz NVVVGPHCWNUSCK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CC[C@]1(CO)CCCN([C@@H](C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460925 546220664 /nfs/dbraw/zinc/22/06/64/546220664.db2.gz NVVVGPHCWNUSCK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CN1CC[NH+](CC2(C)CCN(Cc3scnc3C3CC3)CC2)CC1 ZINC000426156752 546220914 /nfs/dbraw/zinc/22/09/14/546220914.db2.gz MPIOAVGKRHLFNB-UHFFFAOYSA-N 1 3 348.560 2.870 20 0 EFADHO C[C@H]1CN(CCOC2CCCCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000490633035 546279515 /nfs/dbraw/zinc/27/95/15/546279515.db2.gz WDTBGEAOOVBWKO-ICSRJNTNSA-N 1 3 337.552 2.684 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)N2CCCC2)cc1 ZINC000655446313 546449937 /nfs/dbraw/zinc/44/99/37/546449937.db2.gz NQSOUUCUJRGOLG-IRFCIJBXSA-N 1 3 341.499 2.638 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447176 546450800 /nfs/dbraw/zinc/45/08/00/546450800.db2.gz LEHWHBWUJHKFPI-UZLBHIALSA-N 1 3 342.487 2.521 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467882 546457037 /nfs/dbraw/zinc/45/70/37/546457037.db2.gz OTTYFEODWCXVBM-MJGOQNOKSA-N 1 3 349.906 2.620 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CC(C)C ZINC000655687587 546533558 /nfs/dbraw/zinc/53/35/58/546533558.db2.gz QYRGUNSDBNOTJR-VQTJNVASSA-N 1 3 339.568 2.976 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CC(C)C ZINC000655687588 546534220 /nfs/dbraw/zinc/53/42/20/546534220.db2.gz QYRGUNSDBNOTJR-WOJBJXKFSA-N 1 3 339.568 2.976 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655690333 546535399 /nfs/dbraw/zinc/53/53/99/546535399.db2.gz MHCOLNMWARIRHW-UXHICEINSA-N 1 3 331.504 2.522 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698215 546538478 /nfs/dbraw/zinc/53/84/78/546538478.db2.gz ZZYWAMRHTILHRI-UXHICEINSA-N 1 3 349.494 2.661 20 0 EFADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccco1 ZINC000655702829 546541705 /nfs/dbraw/zinc/54/17/05/546541705.db2.gz BGHPXORVOHJIPN-RTBURBONSA-N 1 3 349.519 2.896 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccco1 ZINC000655702829 546541710 /nfs/dbraw/zinc/54/17/10/546541710.db2.gz BGHPXORVOHJIPN-RTBURBONSA-N 1 3 349.519 2.896 20 0 EFADHO C([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN1CC1CCCCC1 ZINC000655710656 546544611 /nfs/dbraw/zinc/54/46/11/546544611.db2.gz CTQCRFZKSUCUDF-SFTDATJTSA-N 1 3 349.563 2.874 20 0 EFADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655714455 546545405 /nfs/dbraw/zinc/54/54/05/546545405.db2.gz DVDGTMXXSYZGMW-PMACEKPBSA-N 1 3 337.552 2.874 20 0 EFADHO CCCCN1CCCC[C@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655714457 546546083 /nfs/dbraw/zinc/54/60/83/546546083.db2.gz DVDGTMXXSYZGMW-VQTJNVASSA-N 1 3 337.552 2.874 20 0 EFADHO CN(C)CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000655716347 546547140 /nfs/dbraw/zinc/54/71/40/546547140.db2.gz SJORSQYFHKPNJJ-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO CCO[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655761675 546570097 /nfs/dbraw/zinc/57/00/97/546570097.db2.gz NHGIIDOKUUABLQ-WOJBJXKFSA-N 1 3 332.488 2.997 20 0 EFADHO C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000655840227 546606314 /nfs/dbraw/zinc/60/63/14/546606314.db2.gz QDIMVACZZHBONR-NQERJWCQSA-N 1 3 340.467 2.936 20 0 EFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655908477 546632170 /nfs/dbraw/zinc/63/21/70/546632170.db2.gz WKRBGVALUMDQMA-MSOLQXFVSA-N 1 3 330.476 2.935 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000655908024 546632315 /nfs/dbraw/zinc/63/23/15/546632315.db2.gz QYHXXEIGHCZYQT-MSOLQXFVSA-N 1 3 330.476 2.935 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655963738 546652915 /nfs/dbraw/zinc/65/29/15/546652915.db2.gz RMELUWSHMVDSNL-WBAXXEDZSA-N 1 3 330.476 2.522 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655972992 546655878 /nfs/dbraw/zinc/65/58/78/546655878.db2.gz BUJROFPUDNYIPF-OALUTQOASA-N 1 3 344.503 2.564 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655972994 546656061 /nfs/dbraw/zinc/65/60/61/546656061.db2.gz BUJROFPUDNYIPF-RTBURBONSA-N 1 3 344.503 2.564 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655972991 546656287 /nfs/dbraw/zinc/65/62/87/546656287.db2.gz BUJROFPUDNYIPF-MOPGFXCFSA-N 1 3 344.503 2.564 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H](N)C3)CC2)cs1 ZINC000656197413 546718814 /nfs/dbraw/zinc/71/88/14/546718814.db2.gz HTPKWYMQQDXJFM-HZPDHXFCSA-N 1 3 336.549 2.777 20 0 EFADHO CN(CCn1cc(CC[NH+]2CCCCC2)nn1)Cc1cccc(F)c1 ZINC000656449546 546804925 /nfs/dbraw/zinc/80/49/25/546804925.db2.gz AMXDZCZGQRASHL-UHFFFAOYSA-N 1 3 345.466 2.578 20 0 EFADHO CC(C)(C)[C@@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656467872 546810571 /nfs/dbraw/zinc/81/05/71/546810571.db2.gz GKWXAWDTMYBCLK-AEFFLSMTSA-N 1 3 327.476 2.846 20 0 EFADHO CC(C)(C)[C@@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656467872 546810576 /nfs/dbraw/zinc/81/05/76/546810576.db2.gz GKWXAWDTMYBCLK-AEFFLSMTSA-N 1 3 327.476 2.846 20 0 EFADHO COc1nc(C)cc(C)c1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000656496515 546819292 /nfs/dbraw/zinc/81/92/92/546819292.db2.gz YTRHNEIVJPBJQV-UHFFFAOYSA-N 1 3 326.444 2.861 20 0 EFADHO Cc1cc(C)n2c(CN3CCC([C@H]4CCC[NH2+]C4)CC3)cnc2n1 ZINC000656785444 546923056 /nfs/dbraw/zinc/92/30/56/546923056.db2.gz HLHZPHCCDRZJAO-KRWDZBQOSA-N 1 3 327.476 2.558 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785529 546923271 /nfs/dbraw/zinc/92/32/71/546923271.db2.gz LLVNZWHRCRUPPF-LJQANCHMSA-N 1 3 328.504 2.893 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc2n1 ZINC000656785105 546923560 /nfs/dbraw/zinc/92/35/60/546923560.db2.gz ILKRGMFQMXLSGW-QGZVFWFLSA-N 1 3 327.476 2.558 20 0 EFADHO CCCOc1ccc(C[NH2+]CCCCN2CCN(C)CC2)c(C)c1 ZINC000657307114 547101014 /nfs/dbraw/zinc/10/10/14/547101014.db2.gz AJOSRLDYWJREDW-UHFFFAOYSA-N 1 3 333.520 2.901 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cccc(F)c2OC(F)F)CC1 ZINC000657349117 547125367 /nfs/dbraw/zinc/12/53/67/547125367.db2.gz BROKGAXPPKICSH-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cccc(F)c2OC(F)F)CC1 ZINC000657349117 547125371 /nfs/dbraw/zinc/12/53/71/547125371.db2.gz BROKGAXPPKICSH-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC000657355901 547128371 /nfs/dbraw/zinc/12/83/71/547128371.db2.gz DAXRXGLJWLSZDH-AWEZNQCLSA-N 1 3 346.393 2.754 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC000657355901 547128378 /nfs/dbraw/zinc/12/83/78/547128378.db2.gz DAXRXGLJWLSZDH-AWEZNQCLSA-N 1 3 346.393 2.754 20 0 EFADHO C[N@@H+]1CCN(CCNCc2cccc(F)c2OC(F)F)CC1(C)C ZINC000657457895 547170657 /nfs/dbraw/zinc/17/06/57/547170657.db2.gz DUUJIBRLFNBYHW-UHFFFAOYSA-N 1 3 345.409 2.543 20 0 EFADHO C[N@H+]1CCN(CCNCc2cccc(F)c2OC(F)F)CC1(C)C ZINC000657457895 547170661 /nfs/dbraw/zinc/17/06/61/547170661.db2.gz DUUJIBRLFNBYHW-UHFFFAOYSA-N 1 3 345.409 2.543 20 0 EFADHO CO[C@](C)(CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000657593088 547219855 /nfs/dbraw/zinc/21/98/55/547219855.db2.gz YLGNESDLZIMBQG-SLFFLAALSA-N 1 3 332.488 2.825 20 0 EFADHO CO[C@](C)(CN[C@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000657593088 547219857 /nfs/dbraw/zinc/21/98/57/547219857.db2.gz YLGNESDLZIMBQG-SLFFLAALSA-N 1 3 332.488 2.825 20 0 EFADHO CN(C)c1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)s1 ZINC000657612665 547228539 /nfs/dbraw/zinc/22/85/39/547228539.db2.gz OHYDLHKVENSSSQ-UHFFFAOYSA-N 1 3 345.516 2.606 20 0 EFADHO c1cc(CN2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)ccn1 ZINC000657613660 547229508 /nfs/dbraw/zinc/22/95/08/547229508.db2.gz PBGIAZLPEYGCFK-UHFFFAOYSA-N 1 3 337.471 2.751 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1C1CC1 ZINC000657613672 547229828 /nfs/dbraw/zinc/22/98/28/547229828.db2.gz PCSCIDHAEYIFOD-LPHOPBHVSA-N 1 3 328.504 2.508 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1C1CC1 ZINC000657613670 547229911 /nfs/dbraw/zinc/22/99/11/547229911.db2.gz PCSCIDHAEYIFOD-APWZRJJASA-N 1 3 328.504 2.508 20 0 EFADHO CC(C)Cn1nccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613765 547230031 /nfs/dbraw/zinc/23/00/31/547230031.db2.gz REMIGFKHSWLMOK-UHFFFAOYSA-N 1 3 341.503 2.936 20 0 EFADHO COc1cc(OC)c(CNCC2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000657812621 547292397 /nfs/dbraw/zinc/29/23/97/547292397.db2.gz UYWUYYFSUGBCHB-UHFFFAOYSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc2c(cc1CNCC1CC[NH+](CC3CC3)CC1)OCO2 ZINC000657813225 547292545 /nfs/dbraw/zinc/29/25/45/547292545.db2.gz KXWFZSNYIINGJO-UHFFFAOYSA-N 1 3 332.444 2.636 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835454 547297895 /nfs/dbraw/zinc/29/78/95/547297895.db2.gz GGOPBXCBPWNBRI-ZIAGYGMSSA-N 1 3 326.435 2.696 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2ccncc2s1 ZINC000657835469 547297906 /nfs/dbraw/zinc/29/79/06/547297906.db2.gz NGSAPAMSXYPKDU-HNNXBMFYSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657838987 547298656 /nfs/dbraw/zinc/29/86/56/547298656.db2.gz IZWBZNZEQWAAKJ-KSZLIROESA-N 1 3 341.503 2.934 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000657838987 547298664 /nfs/dbraw/zinc/29/86/64/547298664.db2.gz IZWBZNZEQWAAKJ-KSZLIROESA-N 1 3 341.503 2.934 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657837200 547298680 /nfs/dbraw/zinc/29/86/80/547298680.db2.gz RKFOKMHREHBRLQ-DLBZAZTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000657837200 547298686 /nfs/dbraw/zinc/29/86/86/547298686.db2.gz RKFOKMHREHBRLQ-DLBZAZTESA-N 1 3 327.476 2.831 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)c1 ZINC000657869405 547307116 /nfs/dbraw/zinc/30/71/16/547307116.db2.gz VXDDOEGIYUTMEE-CEXWTWQISA-N 1 3 343.515 2.892 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000657899835 547313273 /nfs/dbraw/zinc/31/32/73/547313273.db2.gz DFKJBWSLTIVEMS-MRXNPFEDSA-N 1 3 332.488 2.691 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)cc1 ZINC000657920057 547316861 /nfs/dbraw/zinc/31/68/61/547316861.db2.gz VKWYEHQTBZAHRU-QYZOEREBSA-N 1 3 343.515 2.892 20 0 EFADHO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000657985825 547329546 /nfs/dbraw/zinc/32/95/46/547329546.db2.gz ANEZKXVUJDEDLO-INIZCTEOSA-N 1 3 343.309 2.938 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)CC1 ZINC000658008083 547335331 /nfs/dbraw/zinc/33/53/31/547335331.db2.gz ZUAUIGPJLOOKBU-KRWDZBQOSA-N 1 3 330.472 2.961 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000658017690 547337051 /nfs/dbraw/zinc/33/70/51/547337051.db2.gz AEFOUCGUHZZQGG-MJGOQNOKSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@H](Cn1cncn1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658017690 547337052 /nfs/dbraw/zinc/33/70/52/547337052.db2.gz AEFOUCGUHZZQGG-MJGOQNOKSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@H](Cn1cncn1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658017690 547337053 /nfs/dbraw/zinc/33/70/53/547337053.db2.gz AEFOUCGUHZZQGG-MJGOQNOKSA-N 1 3 327.476 2.559 20 0 EFADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccn1C ZINC000658164479 547377438 /nfs/dbraw/zinc/37/74/38/547377438.db2.gz DOZNIMHJQLHSHD-GOSISDBHSA-N 1 3 327.476 2.768 20 0 EFADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]2CCC[C@H]21 ZINC000658164570 547377638 /nfs/dbraw/zinc/37/76/38/547377638.db2.gz NVLLZJFLRCRLGP-QHAWAJNXSA-N 1 3 342.531 2.756 20 0 EFADHO C(=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671245265 547547788 /nfs/dbraw/zinc/54/77/88/547547788.db2.gz QLQGZSVQGHXGRX-ZXWXGPFHSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671245265 547547791 /nfs/dbraw/zinc/54/77/91/547547791.db2.gz QLQGZSVQGHXGRX-ZXWXGPFHSA-N 1 3 334.504 2.829 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753628 547667106 /nfs/dbraw/zinc/66/71/06/547667106.db2.gz KHYKIFQTTCBCDX-JCURWCKSSA-N 1 3 345.443 2.562 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000673132071 547862924 /nfs/dbraw/zinc/86/29/24/547862924.db2.gz LFRQLMFHWFUYAJ-QRQLOZEOSA-N 1 3 346.519 2.850 20 0 EFADHO COc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000673627094 547922540 /nfs/dbraw/zinc/92/25/40/547922540.db2.gz IFBGJDHAUYPZGN-CRAIPNDOSA-N 1 3 348.487 2.998 20 0 EFADHO CC(C)N1CCC[C@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000674006237 548007360 /nfs/dbraw/zinc/00/73/60/548007360.db2.gz PRPJDCBTZJHDEU-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1 ZINC000674166647 548036419 /nfs/dbraw/zinc/03/64/19/548036419.db2.gz ODFWAMDLCDBBIV-QGZVFWFLSA-N 1 3 326.440 2.893 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000675176719 548220220 /nfs/dbraw/zinc/22/02/20/548220220.db2.gz IHZQVUOPMWAUJJ-KZNAEPCWSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000675184723 548222892 /nfs/dbraw/zinc/22/28/92/548222892.db2.gz ODHSQSRYYQGTOW-OALUTQOASA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000675192215 548225660 /nfs/dbraw/zinc/22/56/60/548225660.db2.gz PYEWEIRGKPFVSH-KRWDZBQOSA-N 1 3 326.529 2.669 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000675198845 548227894 /nfs/dbraw/zinc/22/78/94/548227894.db2.gz ZDGBNHAWYZUDFV-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C)cs2)[C@H](C)C1 ZINC000675749683 548345576 /nfs/dbraw/zinc/34/55/76/548345576.db2.gz XGMRBICRZOHEPA-GDBMZVCRSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C)cs2)[C@H](C)C1 ZINC000675749683 548345580 /nfs/dbraw/zinc/34/55/80/548345580.db2.gz XGMRBICRZOHEPA-GDBMZVCRSA-N 1 3 325.522 2.721 20 0 EFADHO CCC[NH+]1CCC(NCCc2ccc(OC)c(OC)c2OC)CC1 ZINC000675810639 548357731 /nfs/dbraw/zinc/35/77/31/548357731.db2.gz QHWURIZDWBJOAL-UHFFFAOYSA-N 1 3 336.476 2.719 20 0 EFADHO COC1CCN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000675929483 548377242 /nfs/dbraw/zinc/37/72/42/548377242.db2.gz HOMVUGUIBQCWSJ-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO COC1CCN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000675929483 548377244 /nfs/dbraw/zinc/37/72/44/548377244.db2.gz HOMVUGUIBQCWSJ-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccc(C[N@@H+]2CCCOC[C@H]2C)cc1 ZINC000676712601 548526474 /nfs/dbraw/zinc/52/64/74/548526474.db2.gz AUWGOBPQTHPBQA-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1 ZINC000676712601 548526479 /nfs/dbraw/zinc/52/64/79/548526479.db2.gz AUWGOBPQTHPBQA-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO OCCC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678133978 548849358 /nfs/dbraw/zinc/84/93/58/548849358.db2.gz PJAAQJJLCFRBOO-UHFFFAOYSA-N 1 3 332.488 2.756 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2CCC(C[NH+](C)C)CC2)c1 ZINC000678139028 548851771 /nfs/dbraw/zinc/85/17/71/548851771.db2.gz HFODFIOSABIEBG-UHFFFAOYSA-N 1 3 328.460 2.859 20 0 EFADHO Cn1nc(C[NH2+]CC2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000678500305 548941398 /nfs/dbraw/zinc/94/13/98/548941398.db2.gz LPPDQAQDYNWRRF-UHFFFAOYSA-N 1 3 335.455 2.975 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678598842 548958799 /nfs/dbraw/zinc/95/87/99/548958799.db2.gz OHEDFEQHSBHSRW-GBESFXJTSA-N 1 3 336.426 2.920 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678598841 548958983 /nfs/dbraw/zinc/95/89/83/548958983.db2.gz OHEDFEQHSBHSRW-CEXWTWQISA-N 1 3 336.426 2.920 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)NC ZINC000678747915 548981024 /nfs/dbraw/zinc/98/10/24/548981024.db2.gz SKMBVRLUQCWTOJ-SJLPKXTDSA-N 1 3 347.503 2.727 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2)CC1 ZINC000678772260 548984963 /nfs/dbraw/zinc/98/49/63/548984963.db2.gz WELCZNWFMQKRND-PXNSSMCTSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000678858918 549004768 /nfs/dbraw/zinc/00/47/68/549004768.db2.gz UPDOBDZHTXXVBJ-DLBZAZTESA-N 1 3 346.519 2.536 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C12CCCC2 ZINC000678923909 549017308 /nfs/dbraw/zinc/01/73/08/549017308.db2.gz FAIKRVSNYPXLTI-WOJBJXKFSA-N 1 3 349.563 2.872 20 0 EFADHO C[N@H+]1CC=C(CNCc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678941495 549022041 /nfs/dbraw/zinc/02/20/41/549022041.db2.gz OVGXVPHIZYCPAC-UHFFFAOYSA-N 1 3 330.863 2.936 20 0 EFADHO C[N@@H+]1CC=C(CNCc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000678941495 549022044 /nfs/dbraw/zinc/02/20/44/549022044.db2.gz OVGXVPHIZYCPAC-UHFFFAOYSA-N 1 3 330.863 2.936 20 0 EFADHO CC(=O)NC1CCC([N@@H+](C)Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680334886 549300111 /nfs/dbraw/zinc/30/01/11/549300111.db2.gz BPWKUEWSYIUMIE-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CC(=O)NC1CCC([N@H+](C)Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000680334886 549300114 /nfs/dbraw/zinc/30/01/14/549300114.db2.gz BPWKUEWSYIUMIE-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681389650 549525352 /nfs/dbraw/zinc/52/53/52/549525352.db2.gz RCWFUWKHVPKSGU-WMQCIHAUSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(CC2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000681389652 549525510 /nfs/dbraw/zinc/52/55/10/549525510.db2.gz RCWFUWKHVPKSGU-YYWHXJBOSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CN1C ZINC000681491448 549547531 /nfs/dbraw/zinc/54/75/31/549547531.db2.gz IZJKPHTWIIQCSZ-ROUUACIJSA-N 1 3 331.504 2.686 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)NC ZINC000682029739 549681967 /nfs/dbraw/zinc/68/19/67/549681967.db2.gz URYFADGLGXSINK-GOSISDBHSA-N 1 3 347.503 2.728 20 0 EFADHO Cc1ncc([C@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)n1 ZINC000682075737 549691810 /nfs/dbraw/zinc/69/18/10/549691810.db2.gz ILGJGZHXWPXMJP-KRWDZBQOSA-N 1 3 345.535 2.504 20 0 EFADHO Cc1cc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000682226394 549716024 /nfs/dbraw/zinc/71/60/24/549716024.db2.gz RDYZAELOWWCNBR-UHFFFAOYSA-N 1 3 340.899 2.914 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2ccc3cnccc3c2)ccn1 ZINC000683774343 549943724 /nfs/dbraw/zinc/94/37/24/549943724.db2.gz LIHJPZVNFKSGSH-UHFFFAOYSA-N 1 3 336.439 2.860 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)C(C)(C)CC ZINC000684904892 550111135 /nfs/dbraw/zinc/11/11/35/550111135.db2.gz BCRBUOMSSRWJQA-MRXNPFEDSA-N 1 3 326.529 2.575 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)C(C)(C)CC ZINC000684904892 550111136 /nfs/dbraw/zinc/11/11/36/550111136.db2.gz BCRBUOMSSRWJQA-MRXNPFEDSA-N 1 3 326.529 2.575 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(OCCN(C)C)cc1 ZINC000685442920 550152053 /nfs/dbraw/zinc/15/20/53/550152053.db2.gz HURVHDLOHWURNN-PKOBYXMFSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000685455278 550153643 /nfs/dbraw/zinc/15/36/43/550153643.db2.gz HYZSMHGXUMOOIB-IHWYPQMZSA-N 1 3 349.469 2.937 20 0 EFADHO CSc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000685615941 550170309 /nfs/dbraw/zinc/17/03/09/550170309.db2.gz GRAPXLKBXWJXMN-CYBMUJFWSA-N 1 3 325.547 2.728 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1C1CC1 ZINC000753944494 575364274 /nfs/dbraw/zinc/36/42/74/575364274.db2.gz BDEAVCUARNEOES-MAUKXSAKSA-N 1 3 344.503 2.515 20 0 EFADHO Cc1ccc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000755236670 575564130 /nfs/dbraw/zinc/56/41/30/575564130.db2.gz YBJLQRJZMLWZNX-UHFFFAOYSA-N 1 3 345.531 2.723 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759844335 575945104 /nfs/dbraw/zinc/94/51/04/575945104.db2.gz IGDASVDLSCFLNI-QGZVFWFLSA-N 1 3 338.492 2.666 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759844335 575945108 /nfs/dbraw/zinc/94/51/08/575945108.db2.gz IGDASVDLSCFLNI-QGZVFWFLSA-N 1 3 338.492 2.666 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964142 575963704 /nfs/dbraw/zinc/96/37/04/575963704.db2.gz DFLZMGOKMAMRFH-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964142 575963705 /nfs/dbraw/zinc/96/37/05/575963705.db2.gz DFLZMGOKMAMRFH-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964142 575963706 /nfs/dbraw/zinc/96/37/06/575963706.db2.gz DFLZMGOKMAMRFH-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@@H](O)c2ccco2)[C@@H](C)C1 ZINC000763414294 576376606 /nfs/dbraw/zinc/37/66/06/576376606.db2.gz IOFXIMIEWBFCKE-XWTMOSNGSA-N 1 3 338.492 2.818 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@@H](O)c2ccco2)[C@@H](C)C1 ZINC000763414294 576376607 /nfs/dbraw/zinc/37/66/07/576376607.db2.gz IOFXIMIEWBFCKE-XWTMOSNGSA-N 1 3 338.492 2.818 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763754142 576395926 /nfs/dbraw/zinc/39/59/26/576395926.db2.gz MVCAXSMTOIRSSX-JFRXWTBNSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763754142 576395928 /nfs/dbraw/zinc/39/59/28/576395928.db2.gz MVCAXSMTOIRSSX-JFRXWTBNSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763777017 576397972 /nfs/dbraw/zinc/39/79/72/576397972.db2.gz CUNQWPDRXKQHAH-NJAFHUGGSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763777017 576397973 /nfs/dbraw/zinc/39/79/73/576397973.db2.gz CUNQWPDRXKQHAH-NJAFHUGGSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764661800 576486698 /nfs/dbraw/zinc/48/66/98/576486698.db2.gz HCNPYYVGDMNPKX-TZIWHRDSSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764661800 576486699 /nfs/dbraw/zinc/48/66/99/576486699.db2.gz HCNPYYVGDMNPKX-TZIWHRDSSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(OCCN(C)C)cc1 ZINC000765438449 577042329 /nfs/dbraw/zinc/04/23/29/577042329.db2.gz IROGFQLOCWBNPA-JKSUJKDBSA-N 1 3 328.460 2.699 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc(OCCN(C)C)c1 ZINC000765443162 577043063 /nfs/dbraw/zinc/04/30/63/577043063.db2.gz VKOKJZKFFRHYCZ-JKSUJKDBSA-N 1 3 328.460 2.699 20 0 EFADHO CCN1CCN([C@@H](C)CNc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765466115 577044524 /nfs/dbraw/zinc/04/45/24/577044524.db2.gz MMIJQPGFKQSUSB-HNNXBMFYSA-N 1 3 328.460 2.681 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000765816998 577080376 /nfs/dbraw/zinc/08/03/76/577080376.db2.gz ZRHPZJCLWGHOKK-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000766535956 577163414 /nfs/dbraw/zinc/16/34/14/577163414.db2.gz NUFCSGYJGPXWSS-LPHOPBHVSA-N 1 3 330.476 2.880 20 0 EFADHO C[C@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000766881108 577186362 /nfs/dbraw/zinc/18/63/62/577186362.db2.gz ZRLWQLMTIHVINF-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1cccc(NCC[NH2+]Cc2ccc(OCCN(C)C)cc2)n1 ZINC000769401761 577359640 /nfs/dbraw/zinc/35/96/40/577359640.db2.gz ZYKXWUGBBHHKEW-UHFFFAOYSA-N 1 3 328.460 2.532 20 0 EFADHO CN1CCC(NC(=S)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000769550602 577372054 /nfs/dbraw/zinc/37/20/54/577372054.db2.gz BWCJBGNMDXMWGG-UHFFFAOYSA-N 1 3 346.544 2.706 20 0 EFADHO CC[NH+](CC)CCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000772066589 581277729 /nfs/dbraw/zinc/27/77/29/581277729.db2.gz YEHFPXYSGPHCOB-UHFFFAOYSA-N 1 3 347.503 2.716 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000820650828 606211565 /nfs/dbraw/zinc/21/15/65/606211565.db2.gz XIBBRXBMBZMPHF-ZIAGYGMSSA-N 1 3 348.520 2.776 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000820650828 606211566 /nfs/dbraw/zinc/21/15/66/606211566.db2.gz XIBBRXBMBZMPHF-ZIAGYGMSSA-N 1 3 348.520 2.776 20 0 EFADHO c1sc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1-c1nnn[n-]1 ZINC000823821420 606219150 /nfs/dbraw/zinc/21/91/50/606219150.db2.gz UCDGXDJEWPDDLO-UHFFFAOYSA-N 1 3 334.493 2.674 20 0 EFADHO c1sc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1-c1nn[n-]n1 ZINC000823821420 606219152 /nfs/dbraw/zinc/21/91/52/606219152.db2.gz UCDGXDJEWPDDLO-UHFFFAOYSA-N 1 3 334.493 2.674 20 0 EFADHO CCc1cccc(C[N@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001751988898 1249108405 /nfs/dbraw/zinc/10/84/05/1249108405.db2.gz FBGQESARWAKXJF-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001751988898 1249108415 /nfs/dbraw/zinc/10/84/15/1249108415.db2.gz FBGQESARWAKXJF-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CN(CC(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001752060048 1249250385 /nfs/dbraw/zinc/25/03/85/1249250385.db2.gz IMGDLXVDNXVAEH-OAHLLOKOSA-N 1 3 347.494 2.838 20 0 EFADHO CN(CC(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001752060048 1249250395 /nfs/dbraw/zinc/25/03/95/1249250395.db2.gz IMGDLXVDNXVAEH-OAHLLOKOSA-N 1 3 347.494 2.838 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001753728571 1249988880 /nfs/dbraw/zinc/98/88/80/1249988880.db2.gz CKHSKZOFTZEAFS-QWHCGFSZSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001753728571 1249988882 /nfs/dbraw/zinc/98/88/82/1249988882.db2.gz CKHSKZOFTZEAFS-QWHCGFSZSA-N 1 3 336.307 2.616 20 0 EFADHO CC[C@@]1(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC[NH2+]C1 ZINC000398129345 1250193132 /nfs/dbraw/zinc/19/31/32/1250193132.db2.gz JBOWFOPBWFCVHC-AZUAARDMSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172214 1250195283 /nfs/dbraw/zinc/19/52/83/1250195283.db2.gz UZVPJRJLNLRQAL-OXJNMPFZSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172214 1250195288 /nfs/dbraw/zinc/19/52/88/1250195288.db2.gz UZVPJRJLNLRQAL-OXJNMPFZSA-N 1 3 337.467 2.786 20 0 EFADHO CO[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000850513091 1250517346 /nfs/dbraw/zinc/51/73/46/1250517346.db2.gz DMPNLFKZBABZSI-OALUTQOASA-N 1 3 329.488 2.841 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)ccn1 ZINC000850515427 1250518619 /nfs/dbraw/zinc/51/86/19/1250518619.db2.gz XWACWZSGTCDQTL-LJQANCHMSA-N 1 3 329.488 2.842 20 0 EFADHO C[C@@H]1CC[C@@H](NCCC2CCN(C(=O)OC(C)(C)C)CC2)C[NH2+]1 ZINC000703999343 1250720953 /nfs/dbraw/zinc/72/09/53/1250720953.db2.gz VFBZPOCONDLQQU-GDBMZVCRSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)[C@H](CN)C[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717020015 1251364959 /nfs/dbraw/zinc/36/49/59/1251364959.db2.gz HBYWPIKRPPZFSE-ZIAGYGMSSA-N 1 3 349.466 2.699 20 0 EFADHO CC(C)[C@@H](CN)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717019999 1251364980 /nfs/dbraw/zinc/36/49/80/1251364980.db2.gz HBYWPIKRPPZFSE-KBPBESRZSA-N 1 3 349.466 2.699 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968672 1265634599 /nfs/dbraw/zinc/63/45/99/1265634599.db2.gz SNFQFQQRFNOOQP-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968672 1265634608 /nfs/dbraw/zinc/63/46/08/1265634608.db2.gz SNFQFQQRFNOOQP-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001089735084 1252339477 /nfs/dbraw/zinc/33/94/77/1252339477.db2.gz FQGIZMLGZHGJSD-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001089735084 1252339487 /nfs/dbraw/zinc/33/94/87/1252339487.db2.gz FQGIZMLGZHGJSD-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001106910763 1252428744 /nfs/dbraw/zinc/42/87/44/1252428744.db2.gz NNAHFBIUNLGBCD-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2CC)C1 ZINC001484352819 1252442674 /nfs/dbraw/zinc/44/26/74/1252442674.db2.gz MULKGPWOICADOG-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040894973 1252586100 /nfs/dbraw/zinc/58/61/00/1252586100.db2.gz PPLSPZZVWZVSFJ-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001484743617 1252851140 /nfs/dbraw/zinc/85/11/40/1252851140.db2.gz DNWZWERAQSDYAJ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001484743617 1252851156 /nfs/dbraw/zinc/85/11/56/1252851156.db2.gz DNWZWERAQSDYAJ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001004055497 1265843733 /nfs/dbraw/zinc/84/37/33/1265843733.db2.gz IWZONOJBQFGTDJ-UHFFFAOYSA-N 1 3 344.503 2.812 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995799410 1254709079 /nfs/dbraw/zinc/70/90/79/1254709079.db2.gz RVSRNLKBUWTFRR-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995914534 1254853267 /nfs/dbraw/zinc/85/32/67/1254853267.db2.gz DIXGPEAABXEQKK-LJQANCHMSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C(C)(C)C1)N(C)C ZINC000995948014 1254864389 /nfs/dbraw/zinc/86/43/89/1254864389.db2.gz JQCYLDQVTJWTRU-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](CC)N(C)C)CC2(C)C)c1 ZINC000995950606 1254877466 /nfs/dbraw/zinc/87/74/66/1254877466.db2.gz ORCNQSQZZWFPLO-RTBURBONSA-N 1 3 345.531 2.916 20 0 EFADHO CC1CC(C[NH2+][C@H]2CN(C(=O)C(C)(C)N3CCCC3)CC2(C)C)C1 ZINC000996123665 1255028223 /nfs/dbraw/zinc/02/82/23/1255028223.db2.gz DABKUHHCINISAH-JCYILVPMSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)N(C)C ZINC000996249722 1255127312 /nfs/dbraw/zinc/12/73/12/1255127312.db2.gz SOPGRJBKWLIIOB-ZWKOTPCHSA-N 1 3 349.494 2.739 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN3CCC[C@H]3C)CC2(C)C)cc1 ZINC000996293168 1255178495 /nfs/dbraw/zinc/17/84/95/1255178495.db2.gz BLWZXLPBRIHOFY-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)CC2(C)C)c1 ZINC000996299667 1255183576 /nfs/dbraw/zinc/18/35/76/1255183576.db2.gz BYAKRESWSWNNMA-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC000996299831 1255184641 /nfs/dbraw/zinc/18/46/41/1255184641.db2.gz FBQBRNXLNRYOCU-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000996300874 1255184825 /nfs/dbraw/zinc/18/48/25/1255184825.db2.gz OWJKIOJQZDSPQI-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000996300439 1255185048 /nfs/dbraw/zinc/18/50/48/1255185048.db2.gz MFNOXZVJSVSLBI-FUHWJXTLSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC2(C)C)cc1 ZINC000996300840 1255185256 /nfs/dbraw/zinc/18/52/56/1255185256.db2.gz OTJUHCNRMHYSDN-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000996299994 1255185268 /nfs/dbraw/zinc/18/52/68/1255185268.db2.gz IEYGZJYYXYCFNQ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C(C)(C)C1)N(C)C ZINC000996313800 1255196630 /nfs/dbraw/zinc/19/66/30/1255196630.db2.gz FZADPMFFPBYJKA-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)CC2(C)C)cc1 ZINC000996312848 1255196957 /nfs/dbraw/zinc/19/69/57/1255196957.db2.gz BFRDGEFYXYQHHU-RBUKOAKNSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2C)C(C)(C)C1)N(C)C ZINC000996315670 1255197894 /nfs/dbraw/zinc/19/78/94/1255197894.db2.gz RWMJDTUMHZDDRA-ROUUACIJSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C(C)(C)C1)N(C)C ZINC000996316497 1255197912 /nfs/dbraw/zinc/19/79/12/1255197912.db2.gz ZVNGSZORCXUMMB-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996356167 1255243147 /nfs/dbraw/zinc/24/31/47/1255243147.db2.gz POXSDLYIEKITBK-RHSMWYFYSA-N 1 3 326.444 2.540 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996355858 1255243689 /nfs/dbraw/zinc/24/36/89/1255243689.db2.gz OEDQOLDSINZZOF-GOSISDBHSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357369 1255244280 /nfs/dbraw/zinc/24/42/80/1255244280.db2.gz XJMQPZSJKKXUES-QAPCUYQASA-N 1 3 340.471 2.848 20 0 EFADHO CC1CCC(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)CC1 ZINC000996357625 1255244745 /nfs/dbraw/zinc/24/47/45/1255244745.db2.gz ZUCDDQZDBQXPTA-DQPZFDDXSA-N 1 3 332.492 2.605 20 0 EFADHO C[C@H](C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996379766 1255260959 /nfs/dbraw/zinc/26/09/59/1255260959.db2.gz ONQYXNVVPXZBQV-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996379311 1255261167 /nfs/dbraw/zinc/26/11/67/1255261167.db2.gz KOYVGPXKLLYYOS-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c(C)s1 ZINC000996662039 1255673171 /nfs/dbraw/zinc/67/31/71/1255673171.db2.gz CBEXWNCOGJMIDS-UHFFFAOYSA-N 1 3 349.544 2.930 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000996662097 1255673470 /nfs/dbraw/zinc/67/34/70/1255673470.db2.gz CPRGUTITVHTYOY-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000996667001 1255685047 /nfs/dbraw/zinc/68/50/47/1255685047.db2.gz ROFLIUNJIMBSEF-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)CCC1 ZINC000996667740 1255689539 /nfs/dbraw/zinc/68/95/39/1255689539.db2.gz XQVSROYCLVFRKD-IBGZPJMESA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1)C1CC1 ZINC000996674130 1255713152 /nfs/dbraw/zinc/71/31/52/1255713152.db2.gz AAZRWZSXDAZXLX-GOSISDBHSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996671352 1255717276 /nfs/dbraw/zinc/71/72/76/1255717276.db2.gz MPLCGSOGUGGQPF-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996675526 1255723843 /nfs/dbraw/zinc/72/38/43/1255723843.db2.gz ZKUSFHPEPYHMDA-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996678261 1255728681 /nfs/dbraw/zinc/72/86/81/1255728681.db2.gz LXBUVSYBMLADMC-OXJNMPFZSA-N 1 3 343.515 2.977 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996681209 1255734730 /nfs/dbraw/zinc/73/47/30/1255734730.db2.gz XWCPCSCMZJPWLE-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000996693195 1255755306 /nfs/dbraw/zinc/75/53/06/1255755306.db2.gz IJLWULHOHPONKP-ZBFHGGJFSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000996693189 1255755395 /nfs/dbraw/zinc/75/53/95/1255755395.db2.gz IJLWULHOHPONKP-HOCLYGCPSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)[NH+]1CCCCC1 ZINC001107409414 1255758148 /nfs/dbraw/zinc/75/81/48/1255758148.db2.gz UMTHQNBQSYDJRG-VQIMIIECSA-N 1 3 339.499 2.581 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC000996710444 1255788911 /nfs/dbraw/zinc/78/89/11/1255788911.db2.gz DRCQYCJLMYTPFL-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccccc1CC[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000996710698 1255800173 /nfs/dbraw/zinc/80/01/73/1255800173.db2.gz DVCXKGQJESXCRU-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CC2CCC(F)(F)CC2)CC1)N(C)C ZINC000996711726 1255809247 /nfs/dbraw/zinc/80/92/47/1255809247.db2.gz KSAWRNFBYSDZBF-MRXNPFEDSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1)N(C)C ZINC000996711822 1255812925 /nfs/dbraw/zinc/81/29/25/1255812925.db2.gz LFTGVSDTCOQGJQ-CQSZACIVSA-N 1 3 343.924 2.822 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CCC2CC2)CC3)CCC1 ZINC001107436754 1255815314 /nfs/dbraw/zinc/81/53/14/1255815314.db2.gz NSCGVJWLEHXDTC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC2CC2)CC3)CCC1 ZINC001107436754 1255815327 /nfs/dbraw/zinc/81/53/27/1255815327.db2.gz NSCGVJWLEHXDTC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436687 1255816052 /nfs/dbraw/zinc/81/60/52/1255816052.db2.gz KPIZICJGLDFFNU-IEBWSBKVSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436687 1255816066 /nfs/dbraw/zinc/81/60/66/1255816066.db2.gz KPIZICJGLDFFNU-IEBWSBKVSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC000996712430 1255817503 /nfs/dbraw/zinc/81/75/03/1255817503.db2.gz OJVAIOJQCVFUAC-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1)N(C)C ZINC000996715960 1255827582 /nfs/dbraw/zinc/82/75/82/1255827582.db2.gz HHOVDYAACCKWSC-GOSISDBHSA-N 1 3 343.471 2.854 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000996715147 1255840962 /nfs/dbraw/zinc/84/09/62/1255840962.db2.gz DNWXBIZIQNBDSM-GOSISDBHSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)N(C)C ZINC001107451285 1255856948 /nfs/dbraw/zinc/85/69/48/1255856948.db2.gz STLAXAWHXLQFCV-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)N(C)C ZINC001107451285 1255856954 /nfs/dbraw/zinc/85/69/54/1255856954.db2.gz STLAXAWHXLQFCV-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001107547472 1256109382 /nfs/dbraw/zinc/10/93/82/1256109382.db2.gz OVJLHJUPKBUHPB-HUCQDORMSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001107547472 1256109395 /nfs/dbraw/zinc/10/93/95/1256109395.db2.gz OVJLHJUPKBUHPB-HUCQDORMSA-N 1 3 339.911 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107554672 1256121104 /nfs/dbraw/zinc/12/11/04/1256121104.db2.gz IQGKXUNCAKOQBK-SQWLQELKSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107554672 1256121108 /nfs/dbraw/zinc/12/11/08/1256121108.db2.gz IQGKXUNCAKOQBK-SQWLQELKSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2ccsc2)CC1 ZINC001203456045 1256366452 /nfs/dbraw/zinc/36/64/52/1256366452.db2.gz OYJGTCMXDANQCQ-UHFFFAOYSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001203456006 1256367995 /nfs/dbraw/zinc/36/79/95/1256367995.db2.gz NTSMCVBLYITXBP-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001203456364 1256487861 /nfs/dbraw/zinc/48/78/61/1256487861.db2.gz WGFRSRNWCGLYDD-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000996966922 1256583985 /nfs/dbraw/zinc/58/39/85/1256583985.db2.gz XSZOQRGJGGQTOJ-GOSISDBHSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996978920 1256602186 /nfs/dbraw/zinc/60/21/86/1256602186.db2.gz PLFHCFJZZRSBTO-HXUWFJFHSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996993176 1256635817 /nfs/dbraw/zinc/63/58/17/1256635817.db2.gz BEYKINUJYAOKFL-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC000997007141 1256670463 /nfs/dbraw/zinc/67/04/63/1256670463.db2.gz OXKXVUSHVYHCDV-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1F ZINC000997007286 1256671397 /nfs/dbraw/zinc/67/13/97/1256671397.db2.gz PNTGBPLMUREUDB-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c(C)c1 ZINC000997008504 1256674690 /nfs/dbraw/zinc/67/46/90/1256674690.db2.gz VBNSXJHPBPJWNF-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997039116 1256724308 /nfs/dbraw/zinc/72/43/08/1256724308.db2.gz AIOQSQGIYPCIGE-UHFFFAOYSA-N 1 3 340.471 2.856 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000997042256 1256729512 /nfs/dbraw/zinc/72/95/12/1256729512.db2.gz OLLWDGQVQHMESI-IBGZPJMESA-N 1 3 338.455 2.610 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004150370 1266075944 /nfs/dbraw/zinc/07/59/44/1266075944.db2.gz RTERSZQZKQSJOR-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004150370 1266075953 /nfs/dbraw/zinc/07/59/53/1266075953.db2.gz RTERSZQZKQSJOR-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)CC1 ZINC000997116097 1256957433 /nfs/dbraw/zinc/95/74/33/1256957433.db2.gz UVROXIHUXWEQIR-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997118332 1256975446 /nfs/dbraw/zinc/97/54/46/1256975446.db2.gz FEIPMOZRMODLJC-CTHFIRIDSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997118332 1256975452 /nfs/dbraw/zinc/97/54/52/1256975452.db2.gz FEIPMOZRMODLJC-CTHFIRIDSA-N 1 3 341.927 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997121448 1256981640 /nfs/dbraw/zinc/98/16/40/1256981640.db2.gz QFUIOYWWINGEJX-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997121447 1256981793 /nfs/dbraw/zinc/98/17/93/1256981793.db2.gz QFUIOYWWINGEJX-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997119822 1256982690 /nfs/dbraw/zinc/98/26/90/1256982690.db2.gz KMMZXOKWUYBDSX-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032400699 1257087956 /nfs/dbraw/zinc/08/79/56/1257087956.db2.gz RKVWAAPRRHLCJJ-GBESFXJTSA-N 1 3 345.531 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032400699 1257087965 /nfs/dbraw/zinc/08/79/65/1257087965.db2.gz RKVWAAPRRHLCJJ-GBESFXJTSA-N 1 3 345.531 2.725 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032399976 1257088215 /nfs/dbraw/zinc/08/82/15/1257088215.db2.gz ODEGFRWKPIBVAS-OKZBNKHCSA-N 1 3 333.520 2.581 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032399976 1257088220 /nfs/dbraw/zinc/08/82/20/1257088220.db2.gz ODEGFRWKPIBVAS-OKZBNKHCSA-N 1 3 333.520 2.581 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032400485 1257091751 /nfs/dbraw/zinc/09/17/51/1257091751.db2.gz JSDDBOJZYJKGMA-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032400485 1257091761 /nfs/dbraw/zinc/09/17/61/1257091761.db2.gz JSDDBOJZYJKGMA-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405675 1257125621 /nfs/dbraw/zinc/12/56/21/1257125621.db2.gz NUDLWCRVJJXWLS-HOJAQTOUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405675 1257125624 /nfs/dbraw/zinc/12/56/24/1257125624.db2.gz NUDLWCRVJJXWLS-HOJAQTOUSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001032407738 1257132150 /nfs/dbraw/zinc/13/21/50/1257132150.db2.gz MOTKUKVWZMAJSG-UFYCRDLUSA-N 1 3 343.515 2.504 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCN(Cc2ccsc2)CC1 ZINC000997290861 1257357696 /nfs/dbraw/zinc/35/76/96/1257357696.db2.gz ZVTNSSYBOFKLTC-OAHLLOKOSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1cccc(F)c1 ZINC000997307808 1257386501 /nfs/dbraw/zinc/38/65/01/1257386501.db2.gz WCAJKSKCKWCGRZ-OAHLLOKOSA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000997366713 1257456274 /nfs/dbraw/zinc/45/62/74/1257456274.db2.gz KADJQKOATHJILA-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000997367258 1257457537 /nfs/dbraw/zinc/45/75/37/1257457537.db2.gz ZARQHNVUYATUEF-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1)C1CC1 ZINC001032445385 1257481920 /nfs/dbraw/zinc/48/19/20/1257481920.db2.gz DQYKIRAMGZMZFR-GBESFXJTSA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1)C1CC1 ZINC001032445385 1257481925 /nfs/dbraw/zinc/48/19/25/1257481925.db2.gz DQYKIRAMGZMZFR-GBESFXJTSA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001032445596 1257482625 /nfs/dbraw/zinc/48/26/25/1257482625.db2.gz LWMLFYWWFQTLLO-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)C1CC1 ZINC001032445596 1257482629 /nfs/dbraw/zinc/48/26/29/1257482629.db2.gz LWMLFYWWFQTLLO-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032456373 1257521243 /nfs/dbraw/zinc/52/12/43/1257521243.db2.gz OEXBARMIQFOXKX-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032456373 1257521249 /nfs/dbraw/zinc/52/12/49/1257521249.db2.gz OEXBARMIQFOXKX-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032492937 1257856520 /nfs/dbraw/zinc/85/65/20/1257856520.db2.gz DVZADSKFVGCDPF-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032492937 1257856523 /nfs/dbraw/zinc/85/65/23/1257856523.db2.gz DVZADSKFVGCDPF-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001203459283 1257958476 /nfs/dbraw/zinc/95/84/76/1257958476.db2.gz BYYVRCDYCXXJLQ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032500251 1257978067 /nfs/dbraw/zinc/97/80/67/1257978067.db2.gz QNHUMEGGFWSJOW-PMACEKPBSA-N 1 3 346.434 2.742 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997609103 1258109861 /nfs/dbraw/zinc/10/98/61/1258109861.db2.gz ZEPAJTWNCVYLKV-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997611733 1258112940 /nfs/dbraw/zinc/11/29/40/1258112940.db2.gz GMLFVOAOYOZZTI-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997611758 1258114680 /nfs/dbraw/zinc/11/46/80/1258114680.db2.gz HFDSGECZCOGNDD-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000997614326 1258117176 /nfs/dbraw/zinc/11/71/76/1258117176.db2.gz QIPKHDIKWCTTTP-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1)C1CCC1 ZINC000997831447 1258505837 /nfs/dbraw/zinc/50/58/37/1258505837.db2.gz SDTIVHXPKNPFKI-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)C1CCC1 ZINC000997832015 1258506470 /nfs/dbraw/zinc/50/64/70/1258506470.db2.gz XILNZKGNMBAZTA-QRVBRYPASA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC000997839439 1258514219 /nfs/dbraw/zinc/51/42/19/1258514219.db2.gz GDLKYMWODKOJPA-KRWDZBQOSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC000997841120 1258516294 /nfs/dbraw/zinc/51/62/94/1258516294.db2.gz VVIZSDIGUWCVNH-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000997845586 1258522051 /nfs/dbraw/zinc/52/20/51/1258522051.db2.gz XXWXUZUSYVZARA-FQEVSTJZSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000997855591 1258528994 /nfs/dbraw/zinc/52/89/94/1258528994.db2.gz NTKZKGWKKQEICS-GOSISDBHSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000997854434 1258533434 /nfs/dbraw/zinc/53/34/34/1258533434.db2.gz DHZBADVMEDXIHA-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997872389 1258556782 /nfs/dbraw/zinc/55/67/82/1258556782.db2.gz VWVAJYSBIJFGEW-INIZCTEOSA-N 1 3 331.504 2.987 20 0 EFADHO CCC[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997874981 1258558262 /nfs/dbraw/zinc/55/82/62/1258558262.db2.gz VFIPNLPXIJEVPQ-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004200939 1266205802 /nfs/dbraw/zinc/20/58/02/1266205802.db2.gz GSRSJMVLCDBSBD-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)=CC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004204727 1266217237 /nfs/dbraw/zinc/21/72/37/1266217237.db2.gz VPXRJDTYIRFPBR-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1)N(C)C ZINC000998047638 1259024957 /nfs/dbraw/zinc/02/49/57/1259024957.db2.gz RLHFUNBLLNERNH-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000998080912 1259079404 /nfs/dbraw/zinc/07/94/04/1259079404.db2.gz FPXMSESXJZAFMF-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000998081277 1259079812 /nfs/dbraw/zinc/07/98/12/1259079812.db2.gz ICXFIEDJVULRLZ-KRWDZBQOSA-N 1 3 343.515 2.665 20 0 EFADHO CC1(C)CC(C[NH2+]CC2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000998081188 1259079938 /nfs/dbraw/zinc/07/99/38/1259079938.db2.gz GRQGBRJPFJCMNY-UHFFFAOYSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC000998086860 1259084013 /nfs/dbraw/zinc/08/40/13/1259084013.db2.gz URJYOFZALMYWGU-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000998084065 1259086587 /nfs/dbraw/zinc/08/65/87/1259086587.db2.gz YMCRQZLZWYGDDF-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000998092780 1259101086 /nfs/dbraw/zinc/10/10/86/1259101086.db2.gz FZGKEWAEIFVAQA-VTGFLYEISA-N 1 3 341.927 2.784 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998113762 1259126162 /nfs/dbraw/zinc/12/61/62/1259126162.db2.gz CDPRFMDVKQVXCP-INIZCTEOSA-N 1 3 340.471 2.850 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000998118901 1259128866 /nfs/dbraw/zinc/12/88/66/1259128866.db2.gz KBLGKFXOAOUHAP-HNNXBMFYSA-N 1 3 326.444 2.542 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1F ZINC000998119465 1259129561 /nfs/dbraw/zinc/12/95/61/1259129561.db2.gz LZJOYHWTCQYUFI-AWEZNQCLSA-N 1 3 344.434 2.681 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC1 ZINC001032603017 1259163502 /nfs/dbraw/zinc/16/35/02/1259163502.db2.gz KTKXZYHUEDXECW-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000998176667 1259195834 /nfs/dbraw/zinc/19/58/34/1259195834.db2.gz MLJJSUQGXBXRKD-SGNXQUTQSA-N 1 3 339.911 2.538 20 0 EFADHO COc1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)N2CCCC2)cc1 ZINC000929306391 1266242202 /nfs/dbraw/zinc/24/22/02/1266242202.db2.gz ZWYSZQZTKJZCBT-GOSISDBHSA-N 1 3 347.503 2.727 20 0 EFADHO CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C(F)(F)F ZINC000998263879 1259337325 /nfs/dbraw/zinc/33/73/25/1259337325.db2.gz YKAGOTGCDIHGGF-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1F ZINC000998267919 1259341978 /nfs/dbraw/zinc/34/19/78/1259341978.db2.gz ABPXQPKKKVQANJ-MRXNPFEDSA-N 1 3 347.478 2.811 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268078 1259344423 /nfs/dbraw/zinc/34/44/23/1259344423.db2.gz DYPYTTFOSHDMOU-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998269999 1259351631 /nfs/dbraw/zinc/35/16/31/1259351631.db2.gz TYROZSYHMJSVMD-UHFFFAOYSA-N 1 3 347.478 2.558 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC000998270794 1259352863 /nfs/dbraw/zinc/35/28/63/1259352863.db2.gz ZZQPFRKTMQPQBJ-UHFFFAOYSA-N 1 3 335.536 2.881 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]CC3CCC3)CC2)c1 ZINC000998286586 1259379770 /nfs/dbraw/zinc/37/97/70/1259379770.db2.gz KGODXDHEWBNXLQ-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCc2ccc([S@](C)=O)cc2)c1 ZINC000085302725 1259383152 /nfs/dbraw/zinc/38/31/52/1259383152.db2.gz HRKABCIUHMOJAA-XMMPIXPASA-N 1 3 346.496 2.654 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCC2)C1 ZINC001032627567 1259427635 /nfs/dbraw/zinc/42/76/35/1259427635.db2.gz AIZNWXRIYVNGFM-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CCCCC2)C1 ZINC001032627567 1259427639 /nfs/dbraw/zinc/42/76/39/1259427639.db2.gz AIZNWXRIYVNGFM-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998551858 1259672754 /nfs/dbraw/zinc/67/27/54/1259672754.db2.gz RMEZQJBAZXOTLG-JMLCCBQJSA-N 1 3 349.906 2.822 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998549098 1259675380 /nfs/dbraw/zinc/67/53/80/1259675380.db2.gz KFLWLLGRSQXPNP-LEOMRAHMSA-N 1 3 341.455 2.606 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998549091 1259675581 /nfs/dbraw/zinc/67/55/81/1259675581.db2.gz KFLWLLGRSQXPNP-HTWSVDAQSA-N 1 3 341.455 2.606 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]Cc1ccsc1 ZINC001036556993 1259677654 /nfs/dbraw/zinc/67/76/54/1259677654.db2.gz VOZWXVXAPYNKFX-QAPCUYQASA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036579709 1259732378 /nfs/dbraw/zinc/73/23/78/1259732378.db2.gz QLDCONLTUUUMRJ-QAPCUYQASA-N 1 3 332.492 2.749 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001036580151 1259733675 /nfs/dbraw/zinc/73/36/75/1259733675.db2.gz XYQFWHIDKCIOLL-CRAIPNDOSA-N 1 3 344.503 2.749 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001036580098 1259733841 /nfs/dbraw/zinc/73/38/41/1259733841.db2.gz XEFRWTVCBQJZQG-VQIMIIECSA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001036599783 1259746176 /nfs/dbraw/zinc/74/61/76/1259746176.db2.gz PMCMNVRDADSGPZ-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998725294 1259878887 /nfs/dbraw/zinc/87/88/87/1259878887.db2.gz WHZFBJYHQATDRF-GXTWGEPZSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998725690 1259878956 /nfs/dbraw/zinc/87/89/56/1259878956.db2.gz XADUPFLEWCIZNJ-FUHWJXTLSA-N 1 3 341.455 2.608 20 0 EFADHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000998993520 1260137844 /nfs/dbraw/zinc/13/78/44/1260137844.db2.gz FPOZNLVHHUDECK-LEOMRAHMSA-N 1 3 349.906 2.903 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000999142976 1260250765 /nfs/dbraw/zinc/25/07/65/1260250765.db2.gz FCEXQUONCPQCDM-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999146092 1260252550 /nfs/dbraw/zinc/25/25/50/1260252550.db2.gz UZTJQILVNUWHGB-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999146096 1260253536 /nfs/dbraw/zinc/25/35/36/1260253536.db2.gz UZTJQILVNUWHGB-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2CC1 ZINC000946518417 1260295850 /nfs/dbraw/zinc/29/58/50/1260295850.db2.gz UEYKBDIPJRXGIT-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2CC1 ZINC000946518417 1260295856 /nfs/dbraw/zinc/29/58/56/1260295856.db2.gz UEYKBDIPJRXGIT-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001032665113 1260361714 /nfs/dbraw/zinc/36/17/14/1260361714.db2.gz YLKGPMYPINEFDS-BZSNNMDCSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999347277 1260550951 /nfs/dbraw/zinc/55/09/51/1260550951.db2.gz IKBXWEOXZWEIDH-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO CC1CCC(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000999348275 1260552500 /nfs/dbraw/zinc/55/25/00/1260552500.db2.gz NEIVKUUWBFYSMN-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999349722 1260553811 /nfs/dbraw/zinc/55/38/11/1260553811.db2.gz UHEDHSOKXJPURJ-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000999351601 1260554490 /nfs/dbraw/zinc/55/44/90/1260554490.db2.gz DYXUSRJEMGQCRF-SJLPKXTDSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000999352678 1260555942 /nfs/dbraw/zinc/55/59/42/1260555942.db2.gz KHOALFHCYUFCLI-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000999375020 1260558220 /nfs/dbraw/zinc/55/82/20/1260558220.db2.gz KCDDJBTZSYACOL-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000999362665 1260563735 /nfs/dbraw/zinc/56/37/35/1260563735.db2.gz CNVKCFDWAIVACD-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000999362668 1260564443 /nfs/dbraw/zinc/56/44/43/1260564443.db2.gz CNVKCFDWAIVACD-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999363690 1260565570 /nfs/dbraw/zinc/56/55/70/1260565570.db2.gz JHSVPPJUNLKKMU-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000999366105 1260567548 /nfs/dbraw/zinc/56/75/48/1260567548.db2.gz VKNYYHMHWDYQGB-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC000999365673 1260567764 /nfs/dbraw/zinc/56/77/64/1260567764.db2.gz RBPDACPHSOLHJM-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999365654 1260568040 /nfs/dbraw/zinc/56/80/40/1260568040.db2.gz QPHBQSYBNHDSKO-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000999368990 1260570022 /nfs/dbraw/zinc/57/00/22/1260570022.db2.gz IFUBQXIMGKVYQQ-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999400887 1260579830 /nfs/dbraw/zinc/57/98/30/1260579830.db2.gz MLJVDIUPCAHWNI-MSOLQXFVSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999400887 1260579838 /nfs/dbraw/zinc/57/98/38/1260579838.db2.gz MLJVDIUPCAHWNI-MSOLQXFVSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999400890 1260579912 /nfs/dbraw/zinc/57/99/12/1260579912.db2.gz MLJVDIUPCAHWNI-ROUUACIJSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999400890 1260579918 /nfs/dbraw/zinc/57/99/18/1260579918.db2.gz MLJVDIUPCAHWNI-ROUUACIJSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)(C)C2)C1 ZINC000999402928 1260595799 /nfs/dbraw/zinc/59/57/99/1260595799.db2.gz LNOWGOZWIDADIM-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999402690 1260595983 /nfs/dbraw/zinc/59/59/83/1260595983.db2.gz IYPFOCRJDLPRBN-VNCLNFNDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999405199 1260598888 /nfs/dbraw/zinc/59/88/88/1260598888.db2.gz CTUVQLVRUUSCMG-QHGAOEGBSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CF)cc2)C1 ZINC000999407488 1260602089 /nfs/dbraw/zinc/60/20/89/1260602089.db2.gz VQRQEOLTUYGEEI-VNCLNFNDSA-N 1 3 347.478 2.719 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000999408590 1260602369 /nfs/dbraw/zinc/60/23/69/1260602369.db2.gz LUJMLSBLAGVXIU-PBPGXSGUSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000999409032 1260604492 /nfs/dbraw/zinc/60/44/92/1260604492.db2.gz OCKGKRIPAFSYBG-RWBZWWBESA-N 1 3 349.906 2.761 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999425560 1260615771 /nfs/dbraw/zinc/61/57/71/1260615771.db2.gz VBQLAZVXOCDRIL-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000999470815 1260662407 /nfs/dbraw/zinc/66/24/07/1260662407.db2.gz WSHPASGOJIPISJ-UHFFFAOYSA-N 1 3 340.471 2.855 20 0 EFADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000999471417 1260662756 /nfs/dbraw/zinc/66/27/56/1260662756.db2.gz DTBJXVJYUAVKJD-VMWRSERWSA-N 1 3 326.444 2.683 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000999474106 1260665295 /nfs/dbraw/zinc/66/52/95/1260665295.db2.gz QLBWUVCEYBOXGU-UHFFFAOYSA-N 1 3 348.450 2.885 20 0 EFADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC000999474047 1260665381 /nfs/dbraw/zinc/66/53/81/1260665381.db2.gz PTPWIGSQOYUAPM-VMWRSERWSA-N 1 3 344.434 2.822 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC000999475277 1260668162 /nfs/dbraw/zinc/66/81/62/1260668162.db2.gz VEJVZMJCAMXJOH-OLJMKKDRSA-N 1 3 346.862 2.946 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000999489020 1260712142 /nfs/dbraw/zinc/71/21/42/1260712142.db2.gz IGWZFUBFDWCMDL-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000999491543 1260714117 /nfs/dbraw/zinc/71/41/17/1260714117.db2.gz VOZAFNMZJSIZEJ-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001033068883 1266357529 /nfs/dbraw/zinc/35/75/29/1266357529.db2.gz FRUBJPNLYVIEKC-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001033068883 1266357540 /nfs/dbraw/zinc/35/75/40/1266357540.db2.gz FRUBJPNLYVIEKC-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3=CCCCC3)C2)CC1 ZINC000999597720 1260760682 /nfs/dbraw/zinc/76/06/82/1260760682.db2.gz HHDRNGFYWSKEFU-UHFFFAOYSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000999834175 1260946249 /nfs/dbraw/zinc/94/62/49/1260946249.db2.gz TYAQKEJNFUCLDU-RWBZWWBESA-N 1 3 333.451 2.562 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1 ZINC000999876128 1260965486 /nfs/dbraw/zinc/96/54/86/1260965486.db2.gz GSUFUMMMHDUCCR-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032732065 1261093959 /nfs/dbraw/zinc/09/39/59/1261093959.db2.gz VQWCKQUPVFFCAR-FHWLQOOXSA-N 1 3 331.504 2.504 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032732065 1261093963 /nfs/dbraw/zinc/09/39/63/1261093963.db2.gz VQWCKQUPVFFCAR-FHWLQOOXSA-N 1 3 331.504 2.504 20 0 EFADHO COc1ccc([C@@H]2C[C@H]([N@@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644354 1261180580 /nfs/dbraw/zinc/18/05/80/1261180580.db2.gz QUOKAQBUDXHCOZ-RMJJICAUSA-N 1 3 330.472 2.799 20 0 EFADHO COc1ccc([C@@H]2C[C@H]([N@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644354 1261180583 /nfs/dbraw/zinc/18/05/83/1261180583.db2.gz QUOKAQBUDXHCOZ-RMJJICAUSA-N 1 3 330.472 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001000190376 1261192699 /nfs/dbraw/zinc/19/26/99/1261192699.db2.gz GBMVNERNEFHHFJ-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921747462 1261355304 /nfs/dbraw/zinc/35/53/04/1261355304.db2.gz OWEJXYBLUHBGES-LPHOPBHVSA-N 1 3 332.488 2.848 20 0 EFADHO COc1ccc([C@H]2C[C@H]([NH+]3CCC4(CN(C)C4)CC3)CCO2)cc1 ZINC001168665689 1261376383 /nfs/dbraw/zinc/37/63/83/1261376383.db2.gz SNYXXDAFKTXIBA-IEBWSBKVSA-N 1 3 330.472 2.943 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000923330379 1261467483 /nfs/dbraw/zinc/46/74/83/1261467483.db2.gz DHBQBAKFMOTOJO-PWIZWCRZSA-N 1 3 340.467 2.762 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@H](O)CC(F)(F)F ZINC000923345517 1261530487 /nfs/dbraw/zinc/53/04/87/1261530487.db2.gz NLRCXNATMNHFNG-BBWFWOEESA-N 1 3 344.421 2.972 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@H](O)CC(F)(F)F ZINC000923345523 1261531684 /nfs/dbraw/zinc/53/16/84/1261531684.db2.gz NLRCXNATMNHFNG-GVDBMIGSSA-N 1 3 344.421 2.972 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000923354728 1261549339 /nfs/dbraw/zinc/54/93/39/1261549339.db2.gz VPRUSWPZSYLDPM-HUUCEWRRSA-N 1 3 330.394 2.812 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000923372260 1261567559 /nfs/dbraw/zinc/56/75/59/1261567559.db2.gz FZFDQBSXQYLGPV-WBVHZDCISA-N 1 3 340.895 2.885 20 0 EFADHO [NH3+]C[C@H](NC[C@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000923372960 1261573672 /nfs/dbraw/zinc/57/36/72/1261573672.db2.gz KNTPJHVEKADQAE-HOCLYGCPSA-N 1 3 326.868 2.577 20 0 EFADHO [NH3+]C[C@H](NC[C@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000923373886 1261574150 /nfs/dbraw/zinc/57/41/50/1261574150.db2.gz PULBNMPRLCLENE-RDJZCZTQSA-N 1 3 326.868 2.577 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923383406 1261582297 /nfs/dbraw/zinc/58/22/97/1261582297.db2.gz ZEQNPYSRTFUQRY-MRVWCRGKSA-N 1 3 333.259 2.593 20 0 EFADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420752 1261643937 /nfs/dbraw/zinc/64/39/37/1261643937.db2.gz KBGMDHXSEYNDSK-VHKYSDTDSA-N 1 3 337.467 2.871 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420752 1261643944 /nfs/dbraw/zinc/64/39/44/1261643944.db2.gz KBGMDHXSEYNDSK-VHKYSDTDSA-N 1 3 337.467 2.871 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001006083576 1261663834 /nfs/dbraw/zinc/66/38/34/1261663834.db2.gz JIDUMMROODETOR-AEFFLSMTSA-N 1 3 341.515 2.920 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902812 1261692752 /nfs/dbraw/zinc/69/27/52/1261692752.db2.gz ZWDPGGIDEIZWGJ-HDICACEKSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902812 1261692762 /nfs/dbraw/zinc/69/27/62/1261692762.db2.gz ZWDPGGIDEIZWGJ-HDICACEKSA-N 1 3 343.515 2.941 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1 ZINC000946904777 1261725317 /nfs/dbraw/zinc/72/53/17/1261725317.db2.gz PMWVKCJYFBFYKC-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2CC1 ZINC000946904777 1261725326 /nfs/dbraw/zinc/72/53/26/1261725326.db2.gz PMWVKCJYFBFYKC-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923487783 1261745679 /nfs/dbraw/zinc/74/56/79/1261745679.db2.gz HLQMNBOPWGDJQD-HOTGVXAUSA-N 1 3 325.456 2.688 20 0 EFADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923485097 1261757794 /nfs/dbraw/zinc/75/77/94/1261757794.db2.gz FKYOIHHNFAQXAS-LSDHHAIUSA-N 1 3 329.444 2.623 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@@H](CC[NH3+])C1 ZINC000923491324 1261773085 /nfs/dbraw/zinc/77/30/85/1261773085.db2.gz HWFQLOMYAAEGHS-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493073 1261777602 /nfs/dbraw/zinc/77/76/02/1261777602.db2.gz SGXFYPTTWCQTAQ-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1)[NH+]1CCCC1 ZINC001032804093 1261824519 /nfs/dbraw/zinc/82/45/19/1261824519.db2.gz WSXRJMIYJBDSQK-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC2(CCC2)C1 ZINC001032802742 1261840590 /nfs/dbraw/zinc/84/05/90/1261840590.db2.gz MWNJCCMNJMXRTL-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC2(CCC2)C1 ZINC001032802742 1261840592 /nfs/dbraw/zinc/84/05/92/1261840592.db2.gz MWNJCCMNJMXRTL-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C)[NH+]1CCCC1 ZINC001032803699 1261847090 /nfs/dbraw/zinc/84/70/90/1261847090.db2.gz JQUPUEHVOCFBAT-OKZBNKHCSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000947981288 1261929488 /nfs/dbraw/zinc/92/94/88/1261929488.db2.gz UUOZREZXCFLPPC-RHSMWYFYSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000947981288 1261929493 /nfs/dbraw/zinc/92/94/93/1261929493.db2.gz UUOZREZXCFLPPC-RHSMWYFYSA-N 1 3 332.492 2.810 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)N1CCCC1 ZINC001078695339 1262223296 /nfs/dbraw/zinc/22/32/96/1262223296.db2.gz KYAJOSJJKGRPQV-IRXDYDNUSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001078793830 1262359865 /nfs/dbraw/zinc/35/98/65/1262359865.db2.gz BPHKBZMGUNIZSH-QZTJIDSGSA-N 1 3 342.487 2.778 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033093184 1266498114 /nfs/dbraw/zinc/49/81/14/1266498114.db2.gz XRRNXAMXUIZLKJ-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033093184 1266498120 /nfs/dbraw/zinc/49/81/20/1266498120.db2.gz XRRNXAMXUIZLKJ-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001033093227 1266498159 /nfs/dbraw/zinc/49/81/59/1266498159.db2.gz ZMVJRDCRWBFPKI-FHLIZLRMSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001033093227 1266498166 /nfs/dbraw/zinc/49/81/66/1266498166.db2.gz ZMVJRDCRWBFPKI-FHLIZLRMSA-N 1 3 349.544 2.738 20 0 EFADHO C[C@@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C/Cl ZINC001485922718 1262502794 /nfs/dbraw/zinc/50/27/94/1262502794.db2.gz PXJYXICKMIJUEB-RILDOFPPSA-N 1 3 337.895 2.593 20 0 EFADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001485925744 1262506068 /nfs/dbraw/zinc/50/60/68/1262506068.db2.gz FNQFMBVKSBLGCI-WBVHZDCISA-N 1 3 340.471 2.509 20 0 EFADHO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001486081522 1262602979 /nfs/dbraw/zinc/60/29/79/1262602979.db2.gz NKPOMFQEGBJSCN-LAJIPVAHSA-N 1 3 341.499 2.763 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001486128735 1262661498 /nfs/dbraw/zinc/66/14/98/1262661498.db2.gz LLNYUNMEGVWGBH-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001486220194 1262823608 /nfs/dbraw/zinc/82/36/08/1262823608.db2.gz YEDIZTHJZBFBIG-SJLPKXTDSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@@H]4O)CC3)ccc2O1 ZINC000921859337 1262914577 /nfs/dbraw/zinc/91/45/77/1262914577.db2.gz KVGHKGVAOLKMEO-YSGRDPCXSA-N 1 3 344.499 2.868 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001082449650 1263171704 /nfs/dbraw/zinc/17/17/04/1263171704.db2.gz COBCCFOSIZMDBO-OLMNPRSZSA-N 1 3 349.906 2.679 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001486464598 1263178864 /nfs/dbraw/zinc/17/88/64/1263178864.db2.gz GKVRWVHYCDOIFF-QQFBHYJXSA-N 1 3 347.478 2.950 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001486464596 1263178878 /nfs/dbraw/zinc/17/88/78/1263178878.db2.gz GKVRWVHYCDOIFF-FHERZECASA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082507548 1263202192 /nfs/dbraw/zinc/20/21/92/1263202192.db2.gz VNRYPNUEGSGCMJ-BHIYHBOVSA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082544956 1263216514 /nfs/dbraw/zinc/21/65/14/1263216514.db2.gz ZAOPWGPRMHDHEX-ATZDWAIDSA-N 1 3 347.478 2.637 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082544956 1263216520 /nfs/dbraw/zinc/21/65/20/1263216520.db2.gz ZAOPWGPRMHDHEX-ATZDWAIDSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001082559708 1263221538 /nfs/dbraw/zinc/22/15/38/1263221538.db2.gz NAGIFYLSAYJOOX-AHRSYUTCSA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082559398 1263221847 /nfs/dbraw/zinc/22/18/47/1263221847.db2.gz DPIPNGWEXUNUGV-ATZDWAIDSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082559600 1263222305 /nfs/dbraw/zinc/22/23/05/1263222305.db2.gz KDDAEYAGRYYUHX-ATZDWAIDSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCC(C)CC1 ZINC001082562201 1263223814 /nfs/dbraw/zinc/22/38/14/1263223814.db2.gz XGLZPFZWPCMOFV-MPLMCADHSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001082575086 1263228528 /nfs/dbraw/zinc/22/85/28/1263228528.db2.gz KSFATPNQJVWYJX-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575062 1263229548 /nfs/dbraw/zinc/22/95/48/1263229548.db2.gz JDSIUIOUBDTRGU-LZQZEXGQSA-N 1 3 349.494 2.657 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001082589042 1263231669 /nfs/dbraw/zinc/23/16/69/1263231669.db2.gz FCJLIDYGPVKCGC-CDHQVMDDSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001082575435 1263231776 /nfs/dbraw/zinc/23/17/76/1263231776.db2.gz FTSXSRURDMDOIR-QRQLOZEOSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@@H](N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)c1ccccc1F ZINC001082720107 1263299788 /nfs/dbraw/zinc/29/97/88/1263299788.db2.gz GPSAQSPIJULOJN-SPYBWZPUSA-N 1 3 347.478 2.665 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724832 1263303891 /nfs/dbraw/zinc/30/38/91/1263303891.db2.gz NINXLUOAKQTRBB-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c(C)c1 ZINC001082740986 1263313332 /nfs/dbraw/zinc/31/33/32/1263313332.db2.gz MHFSXIITPXCFQG-QWFCFKBJSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001082742694 1263313478 /nfs/dbraw/zinc/31/34/78/1263313478.db2.gz OWGUGODEKVZCOB-ZHALLVOQSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082741366 1263313955 /nfs/dbraw/zinc/31/39/55/1263313955.db2.gz YTDJUKBSMRKCRE-ZHALLVOQSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001082742622 1263314107 /nfs/dbraw/zinc/31/41/07/1263314107.db2.gz MKAZFMZTJRDELX-ZHALLVOQSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082741339 1263314232 /nfs/dbraw/zinc/31/42/32/1263314232.db2.gz YAUANSSULRDDEV-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001082741380 1263314589 /nfs/dbraw/zinc/31/45/89/1263314589.db2.gz ZFMLJTWBNWQHFJ-RVKKMQEKSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001082740936 1263315060 /nfs/dbraw/zinc/31/50/60/1263315060.db2.gz KVCRATDWKYWJJP-QWFCFKBJSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001082766850 1263327743 /nfs/dbraw/zinc/32/77/43/1263327743.db2.gz DSNVJQJEGORJJV-GPMSIDNRSA-N 1 3 340.471 2.767 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082861880 1263374598 /nfs/dbraw/zinc/37/45/98/1263374598.db2.gz RGDMGJXWUXICMS-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082861880 1263374607 /nfs/dbraw/zinc/37/46/07/1263374607.db2.gz RGDMGJXWUXICMS-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082921103 1263412246 /nfs/dbraw/zinc/41/22/46/1263412246.db2.gz WICRCUXCGFYKOF-RVKKMQEKSA-N 1 3 349.906 2.537 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082921103 1263412250 /nfs/dbraw/zinc/41/22/50/1263412250.db2.gz WICRCUXCGFYKOF-RVKKMQEKSA-N 1 3 349.906 2.537 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001084429125 1263901358 /nfs/dbraw/zinc/90/13/58/1263901358.db2.gz NHXAGURANJMRTP-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21)N(C)C ZINC001084429125 1263901362 /nfs/dbraw/zinc/90/13/62/1263901362.db2.gz NHXAGURANJMRTP-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001084428906 1263902120 /nfs/dbraw/zinc/90/21/20/1263902120.db2.gz AZRSYBGFUUVXJG-QRVBRYPASA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001084428906 1263902127 /nfs/dbraw/zinc/90/21/27/1263902127.db2.gz AZRSYBGFUUVXJG-QRVBRYPASA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001084428906 1263902130 /nfs/dbraw/zinc/90/21/30/1263902130.db2.gz AZRSYBGFUUVXJG-QRVBRYPASA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21)N1CCCC1 ZINC001084571954 1264033059 /nfs/dbraw/zinc/03/30/59/1264033059.db2.gz NESFVXUODQYPOZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21)N1CCCC1 ZINC001084571954 1264033063 /nfs/dbraw/zinc/03/30/63/1264033063.db2.gz NESFVXUODQYPOZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21)[NH+]1CCCC1 ZINC001084571753 1264034947 /nfs/dbraw/zinc/03/49/47/1264034947.db2.gz CQCONBXHMKPXEK-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084639547 1264101766 /nfs/dbraw/zinc/10/17/66/1264101766.db2.gz WXPDOSAJJNAHDA-VAMGGRTRSA-N 1 3 343.515 2.614 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001032830283 1264193633 /nfs/dbraw/zinc/19/36/33/1264193633.db2.gz LMIHRIPUADMHFI-HNJRGHQBSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001032830283 1264193640 /nfs/dbraw/zinc/19/36/40/1264193640.db2.gz LMIHRIPUADMHFI-HNJRGHQBSA-N 1 3 343.515 2.977 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001084701036 1264245075 /nfs/dbraw/zinc/24/50/75/1264245075.db2.gz LKHOHWNMJBELSO-DFQSSKMNSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001084701036 1264245080 /nfs/dbraw/zinc/24/50/80/1264245080.db2.gz LKHOHWNMJBELSO-DFQSSKMNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001272968528 1264334500 /nfs/dbraw/zinc/33/45/00/1264334500.db2.gz CFEBQPPXRGTGMM-NRFANRHFSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001002956132 1264355369 /nfs/dbraw/zinc/35/53/69/1264355369.db2.gz SGMYSDUGNHBPDB-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21)c1c[nH]cn1 ZINC001084776758 1264375450 /nfs/dbraw/zinc/37/54/50/1264375450.db2.gz QWBMJTZHEVJBJT-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21)c1c[nH]cn1 ZINC001084776758 1264375459 /nfs/dbraw/zinc/37/54/59/1264375459.db2.gz QWBMJTZHEVJBJT-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001272969190 1264378906 /nfs/dbraw/zinc/37/89/06/1264378906.db2.gz NYRJNWLLWDCYAN-OAQYLSRUSA-N 1 3 343.515 2.796 20 0 EFADHO CC(C)c1ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001272969190 1264378916 /nfs/dbraw/zinc/37/89/16/1264378916.db2.gz NYRJNWLLWDCYAN-OAQYLSRUSA-N 1 3 343.515 2.796 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](CCC4CC4)C[C@H]32)c1 ZINC001084849801 1264536348 /nfs/dbraw/zinc/53/63/48/1264536348.db2.gz UIWOGJSTMJBJOK-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](CCC4CC4)C[C@H]32)c1 ZINC001084849801 1264536352 /nfs/dbraw/zinc/53/63/52/1264536352.db2.gz UIWOGJSTMJBJOK-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084850174 1264537146 /nfs/dbraw/zinc/53/71/46/1264537146.db2.gz NSMGYRMQDVYPQP-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccnc3CC2)C[C@H](C)O1 ZINC000421847667 1264597901 /nfs/dbraw/zinc/59/79/01/1264597901.db2.gz YBJSYWGKENUUQP-SCTDSRPQSA-N 1 3 331.504 2.808 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001410307376 1264720872 /nfs/dbraw/zinc/72/08/72/1264720872.db2.gz IGWVPQPTWMBDDU-GOSISDBHSA-N 1 3 346.519 2.995 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001410327701 1264813482 /nfs/dbraw/zinc/81/34/82/1264813482.db2.gz VKICUWUYEOHUMU-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)N(C)C ZINC001085025380 1264959251 /nfs/dbraw/zinc/95/92/51/1264959251.db2.gz XKBGFNVXNRZEQO-HSALFYBXSA-N 1 3 343.515 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)N(C)C ZINC001085025380 1264959258 /nfs/dbraw/zinc/95/92/58/1264959258.db2.gz XKBGFNVXNRZEQO-HSALFYBXSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001003626073 1264986513 /nfs/dbraw/zinc/98/65/13/1264986513.db2.gz KZBBOCWWIXZUDT-LXPRWKDFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](CCC3CC3)CC2)C1 ZINC001003626246 1264987659 /nfs/dbraw/zinc/98/76/59/1264987659.db2.gz AARUHELGCNAODT-IBGZPJMESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001003627871 1264996435 /nfs/dbraw/zinc/99/64/35/1264996435.db2.gz IZZKZSUWSQNQKW-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049785 1265030379 /nfs/dbraw/zinc/03/03/79/1265030379.db2.gz YOLQNAYDJVBBCC-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049785 1265030380 /nfs/dbraw/zinc/03/03/80/1265030380.db2.gz YOLQNAYDJVBBCC-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001003735890 1265111940 /nfs/dbraw/zinc/11/19/40/1265111940.db2.gz MPYJSTCKCRKGHH-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003740468 1265116410 /nfs/dbraw/zinc/11/64/10/1265116410.db2.gz KUFCHNPIKHRTHB-RDJZCZTQSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(F)c(Cl)c1 ZINC001410444121 1265354850 /nfs/dbraw/zinc/35/48/50/1265354850.db2.gz SEWINASAOXZPAD-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075328 1266444660 /nfs/dbraw/zinc/44/46/60/1266444660.db2.gz FURBUNMAGCPHDH-HOTGVXAUSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075328 1266444663 /nfs/dbraw/zinc/44/46/63/1266444663.db2.gz FURBUNMAGCPHDH-HOTGVXAUSA-N 1 3 327.488 2.532 20 0 EFADHO Cc1cccc(CC[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273042992 1266612699 /nfs/dbraw/zinc/61/26/99/1266612699.db2.gz XIWIWVDMIYXZGW-NRFANRHFSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cccc(CC[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273042992 1266612706 /nfs/dbraw/zinc/61/27/06/1266612706.db2.gz XIWIWVDMIYXZGW-NRFANRHFSA-N 1 3 343.515 2.556 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004374273 1266811065 /nfs/dbraw/zinc/81/10/65/1266811065.db2.gz ZSXZVMHZMCLXHO-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004374273 1266811078 /nfs/dbraw/zinc/81/10/78/1266811078.db2.gz ZSXZVMHZMCLXHO-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004375172 1266816218 /nfs/dbraw/zinc/81/62/18/1266816218.db2.gz OURXENVMCHDUOJ-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004375172 1266816239 /nfs/dbraw/zinc/81/62/39/1266816239.db2.gz OURXENVMCHDUOJ-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CCC3)CC2)CCC1 ZINC001004457877 1267094017 /nfs/dbraw/zinc/09/40/17/1267094017.db2.gz MBABVOIFAYXZNR-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CCC3)CC2)CCC1 ZINC001004457877 1267094031 /nfs/dbraw/zinc/09/40/31/1267094031.db2.gz MBABVOIFAYXZNR-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CCC1 ZINC001004458524 1267094145 /nfs/dbraw/zinc/09/41/45/1267094145.db2.gz OAJHKWGDYFELMJ-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1)C1CCC1 ZINC001004458524 1267094158 /nfs/dbraw/zinc/09/41/58/1267094158.db2.gz OAJHKWGDYFELMJ-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CCC1 ZINC001004458720 1267095094 /nfs/dbraw/zinc/09/50/94/1267095094.db2.gz PAKCLQZRDZMGOC-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1)C1CCC1 ZINC001004458720 1267095107 /nfs/dbraw/zinc/09/51/07/1267095107.db2.gz PAKCLQZRDZMGOC-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033125744 1267138866 /nfs/dbraw/zinc/13/88/66/1267138866.db2.gz HQGMBFWKIMUZDB-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033125744 1267138871 /nfs/dbraw/zinc/13/88/71/1267138871.db2.gz HQGMBFWKIMUZDB-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125443 1267151327 /nfs/dbraw/zinc/15/13/27/1267151327.db2.gz DVQXCHOKPJLQBJ-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125443 1267151328 /nfs/dbraw/zinc/15/13/28/1267151328.db2.gz DVQXCHOKPJLQBJ-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546028 1267267765 /nfs/dbraw/zinc/26/77/65/1267267765.db2.gz FDISQIGJBRFICS-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546028 1267267767 /nfs/dbraw/zinc/26/77/67/1267267767.db2.gz FDISQIGJBRFICS-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004549229 1267275185 /nfs/dbraw/zinc/27/51/85/1267275185.db2.gz VLYAFHDCDFODPU-QFBILLFUSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004549229 1267275192 /nfs/dbraw/zinc/27/51/92/1267275192.db2.gz VLYAFHDCDFODPU-QFBILLFUSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946633024 1267352150 /nfs/dbraw/zinc/35/21/50/1267352150.db2.gz CPGZBOLIIMKSKI-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946633024 1267352163 /nfs/dbraw/zinc/35/21/63/1267352163.db2.gz CPGZBOLIIMKSKI-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033147159 1267367302 /nfs/dbraw/zinc/36/73/02/1267367302.db2.gz USJRIDFUVZQOTP-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033147159 1267367313 /nfs/dbraw/zinc/36/73/13/1267367313.db2.gz USJRIDFUVZQOTP-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC001085406402 1267393615 /nfs/dbraw/zinc/39/36/15/1267393615.db2.gz DLHGLBKMGUSTSI-HZPDHXFCSA-N 1 3 346.500 2.582 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001004622120 1267402770 /nfs/dbraw/zinc/40/27/70/1267402770.db2.gz WJHBCXRMWMTAMI-QZTJIDSGSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001004622120 1267402771 /nfs/dbraw/zinc/40/27/71/1267402771.db2.gz WJHBCXRMWMTAMI-QZTJIDSGSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615884 1267408142 /nfs/dbraw/zinc/40/81/42/1267408142.db2.gz IPYNZMOIRNZQFJ-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615884 1267408146 /nfs/dbraw/zinc/40/81/46/1267408146.db2.gz IPYNZMOIRNZQFJ-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004618436 1267412271 /nfs/dbraw/zinc/41/22/71/1267412271.db2.gz DTYFJVMIJIADQJ-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004618436 1267412276 /nfs/dbraw/zinc/41/22/76/1267412276.db2.gz DTYFJVMIJIADQJ-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079695 1267473562 /nfs/dbraw/zinc/47/35/62/1267473562.db2.gz SUWHIHINKFLHDB-GHTZIAJQSA-N 1 3 343.515 2.809 20 0 EFADHO C[C@@H](C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079695 1267473566 /nfs/dbraw/zinc/47/35/66/1267473566.db2.gz SUWHIHINKFLHDB-GHTZIAJQSA-N 1 3 343.515 2.809 20 0 EFADHO Cc1ccc(CCC[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)o1 ZINC001273087304 1267598969 /nfs/dbraw/zinc/59/89/69/1267598969.db2.gz PBDMOCMWGSRXLX-FQEVSTJZSA-N 1 3 347.503 2.539 20 0 EFADHO Cc1ccc(CCC[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)o1 ZINC001273087304 1267598970 /nfs/dbraw/zinc/59/89/70/1267598970.db2.gz PBDMOCMWGSRXLX-FQEVSTJZSA-N 1 3 347.503 2.539 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001128543497 1267748045 /nfs/dbraw/zinc/74/80/45/1267748045.db2.gz DLNVXEJZFLQOOZ-IBGZPJMESA-N 1 3 345.462 2.726 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001128543126 1267750300 /nfs/dbraw/zinc/75/03/00/1267750300.db2.gz BVRJGTHHTNEIPY-WMZOPIPTSA-N 1 3 337.483 2.750 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)[C@H](F)CN(CC)CC)c1ccc(F)cc1 ZINC001128544657 1267759076 /nfs/dbraw/zinc/75/90/76/1267759076.db2.gz OJBONUBSDJHRFR-SJORKVTESA-N 1 3 341.446 2.663 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085589622 1267950447 /nfs/dbraw/zinc/95/04/47/1267950447.db2.gz PTHYTGRFAPCEBX-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085589622 1267950455 /nfs/dbraw/zinc/95/04/55/1267950455.db2.gz PTHYTGRFAPCEBX-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085629220 1268050556 /nfs/dbraw/zinc/05/05/56/1268050556.db2.gz OGXNXFXYMYOWBM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085629220 1268050568 /nfs/dbraw/zinc/05/05/68/1268050568.db2.gz OGXNXFXYMYOWBM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639023 1268093324 /nfs/dbraw/zinc/09/33/24/1268093324.db2.gz GMEMXTOMXQFWCQ-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639023 1268093335 /nfs/dbraw/zinc/09/33/35/1268093335.db2.gz GMEMXTOMXQFWCQ-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@H]1CCN1CC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639676 1268096843 /nfs/dbraw/zinc/09/68/43/1268096843.db2.gz UFVMINAFETUNME-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CC1CCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639676 1268096849 /nfs/dbraw/zinc/09/68/49/1268096849.db2.gz UFVMINAFETUNME-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004953712 1268244109 /nfs/dbraw/zinc/24/41/09/1268244109.db2.gz KXXQHFFTCYUHPG-CRAIPNDOSA-N 1 3 330.476 2.812 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004957752 1268249142 /nfs/dbraw/zinc/24/91/42/1268249142.db2.gz UYQVYKFEXMFUSA-YJBOKZPZSA-N 1 3 344.503 2.892 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004957750 1268249890 /nfs/dbraw/zinc/24/98/90/1268249890.db2.gz UYQVYKFEXMFUSA-QAPCUYQASA-N 1 3 344.503 2.892 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765329 1268260149 /nfs/dbraw/zinc/26/01/49/1268260149.db2.gz MCWWDCHCVHWVNV-CEXWTWQISA-N 1 3 335.536 2.709 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765329 1268260163 /nfs/dbraw/zinc/26/01/63/1268260163.db2.gz MCWWDCHCVHWVNV-CEXWTWQISA-N 1 3 335.536 2.709 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946765679 1268269436 /nfs/dbraw/zinc/26/94/36/1268269436.db2.gz URRKFXDOHJPBGD-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946765679 1268269446 /nfs/dbraw/zinc/26/94/46/1268269446.db2.gz URRKFXDOHJPBGD-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044748490 1268361269 /nfs/dbraw/zinc/36/12/69/1268361269.db2.gz DNCUYPWBGFRZRF-AEFFLSMTSA-N 1 3 340.471 2.738 20 0 EFADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085741980 1268391533 /nfs/dbraw/zinc/39/15/33/1268391533.db2.gz FIPKHKVBUPDXEQ-WMZOPIPTSA-N 1 3 349.494 2.685 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)CC[C@@H]3C2)C1 ZINC000946779237 1268510543 /nfs/dbraw/zinc/51/05/43/1268510543.db2.gz KSGLTYMJZCPMGC-RSYAAINLSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)CN4CC[C@@H](C)C4)CC[C@@H]3C2)C1 ZINC000946779237 1268510548 /nfs/dbraw/zinc/51/05/48/1268510548.db2.gz KSGLTYMJZCPMGC-RSYAAINLSA-N 1 3 347.547 2.545 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779861 1268520447 /nfs/dbraw/zinc/52/04/47/1268520447.db2.gz UMBAVJMADJZWGN-QRVBRYPASA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779861 1268520454 /nfs/dbraw/zinc/52/04/54/1268520454.db2.gz UMBAVJMADJZWGN-QRVBRYPASA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2CC1)N(C)C ZINC000946784563 1268581967 /nfs/dbraw/zinc/58/19/67/1268581967.db2.gz NPKAYUWYSJFJAX-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2CC1)N(C)C ZINC000946784563 1268581970 /nfs/dbraw/zinc/58/19/70/1268581970.db2.gz NPKAYUWYSJFJAX-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123647 1268582892 /nfs/dbraw/zinc/58/28/92/1268582892.db2.gz AIDMMASLHHBDKK-NSHGMRRFSA-N 1 3 333.520 2.607 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123647 1268582900 /nfs/dbraw/zinc/58/29/00/1268582900.db2.gz AIDMMASLHHBDKK-NSHGMRRFSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC1)N(C)C ZINC000946784733 1268583250 /nfs/dbraw/zinc/58/32/50/1268583250.db2.gz RHDHDDSFDPMJAV-ZCNNSNEGSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC1)N(C)C ZINC000946784733 1268583253 /nfs/dbraw/zinc/58/32/53/1268583253.db2.gz RHDHDDSFDPMJAV-ZCNNSNEGSA-N 1 3 343.515 2.697 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798790 1268594185 /nfs/dbraw/zinc/59/41/85/1268594185.db2.gz AKSBQYWZGCDPAQ-MJGOQNOKSA-N 1 3 343.515 2.931 20 0 EFADHO CN(C[C@H]1CCN1[C@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001085799272 1268596789 /nfs/dbraw/zinc/59/67/89/1268596789.db2.gz NTJJCXGIYGHBLC-QUCCMNQESA-N 1 3 341.499 2.548 20 0 EFADHO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125491 1268613986 /nfs/dbraw/zinc/61/39/86/1268613986.db2.gz QISYMBVPJBXOAF-OXJNMPFZSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125491 1268613993 /nfs/dbraw/zinc/61/39/93/1268613993.db2.gz QISYMBVPJBXOAF-OXJNMPFZSA-N 1 3 347.503 2.568 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)CC1 ZINC001273125480 1268615319 /nfs/dbraw/zinc/61/53/19/1268615319.db2.gz QIGWOEQTVLPCRD-RBUKOAKNSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=C[C@H](C)[C@@H](CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001273126341 1268634725 /nfs/dbraw/zinc/63/47/25/1268634725.db2.gz VCNANFBWWWVFIF-ZVDOUQERSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125799 1268643237 /nfs/dbraw/zinc/64/32/37/1268643237.db2.gz RRTZYPFHCKHEQM-NCXUSEDFSA-N 1 3 333.520 2.606 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125799 1268643244 /nfs/dbraw/zinc/64/32/44/1268643244.db2.gz RRTZYPFHCKHEQM-NCXUSEDFSA-N 1 3 333.520 2.606 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946797529 1268683990 /nfs/dbraw/zinc/68/39/90/1268683990.db2.gz GDIWSMBOLSNECB-HDICACEKSA-N 1 3 342.487 2.623 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946797529 1268683995 /nfs/dbraw/zinc/68/39/95/1268683995.db2.gz GDIWSMBOLSNECB-HDICACEKSA-N 1 3 342.487 2.623 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033319696 1268770066 /nfs/dbraw/zinc/77/00/66/1268770066.db2.gz RLSPVNLCGXQOJG-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033319696 1268770072 /nfs/dbraw/zinc/77/00/72/1268770072.db2.gz RLSPVNLCGXQOJG-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317905 1268775823 /nfs/dbraw/zinc/77/58/23/1268775823.db2.gz DVGPOPHTLMWSNG-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033417045 1269088262 /nfs/dbraw/zinc/08/82/62/1269088262.db2.gz UOCGPCXONKQMDN-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033417045 1269088270 /nfs/dbraw/zinc/08/82/70/1269088270.db2.gz UOCGPCXONKQMDN-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001033417064 1269089049 /nfs/dbraw/zinc/08/90/49/1269089049.db2.gz UYHQJDMIHOOGFG-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001033417064 1269089057 /nfs/dbraw/zinc/08/90/57/1269089057.db2.gz UYHQJDMIHOOGFG-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001033418805 1269098717 /nfs/dbraw/zinc/09/87/17/1269098717.db2.gz DBMHTFJOCKVNLF-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001033418805 1269098726 /nfs/dbraw/zinc/09/87/26/1269098726.db2.gz DBMHTFJOCKVNLF-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005181824 1269335263 /nfs/dbraw/zinc/33/52/63/1269335263.db2.gz AGVBOCMAFZDVFG-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005177918 1269338410 /nfs/dbraw/zinc/33/84/10/1269338410.db2.gz FXZDCKZRUWKAFQ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001085985241 1269411428 /nfs/dbraw/zinc/41/14/28/1269411428.db2.gz WPUMWLWJKGYSFD-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]2CN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001085985241 1269411433 /nfs/dbraw/zinc/41/14/33/1269411433.db2.gz WPUMWLWJKGYSFD-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572287 1269469672 /nfs/dbraw/zinc/46/96/72/1269469672.db2.gz UKXNQGYVZPMSQQ-IBGZPJMESA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033572292 1269471270 /nfs/dbraw/zinc/47/12/70/1269471270.db2.gz UKXNQGYVZPMSQQ-LJQANCHMSA-N 1 3 333.520 2.607 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCCF)C1 ZINC001033574808 1269476811 /nfs/dbraw/zinc/47/68/11/1269476811.db2.gz NHTPYOJMDGUDPK-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCCF)C1 ZINC001033574808 1269476813 /nfs/dbraw/zinc/47/68/13/1269476813.db2.gz NHTPYOJMDGUDPK-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001409968059 1269674937 /nfs/dbraw/zinc/67/49/37/1269674937.db2.gz QNZBABMLTMZHAA-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661529 1269757816 /nfs/dbraw/zinc/75/78/16/1269757816.db2.gz LOTSGIUIABMIKB-VQTJNVASSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661529 1269757824 /nfs/dbraw/zinc/75/78/24/1269757824.db2.gz LOTSGIUIABMIKB-VQTJNVASSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661522 1269758440 /nfs/dbraw/zinc/75/84/40/1269758440.db2.gz LOTSGIUIABMIKB-PMACEKPBSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661522 1269758446 /nfs/dbraw/zinc/75/84/46/1269758446.db2.gz LOTSGIUIABMIKB-PMACEKPBSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001033683191 1269788434 /nfs/dbraw/zinc/78/84/34/1269788434.db2.gz GMFWLPKEKGOYEF-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001033683191 1269788444 /nfs/dbraw/zinc/78/84/44/1269788444.db2.gz GMFWLPKEKGOYEF-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001033684599 1269795554 /nfs/dbraw/zinc/79/55/54/1269795554.db2.gz OOJNRPCDFDJWQH-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001033684599 1269795564 /nfs/dbraw/zinc/79/55/64/1269795564.db2.gz OOJNRPCDFDJWQH-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686054 1269798993 /nfs/dbraw/zinc/79/89/93/1269798993.db2.gz ZDGLWGBVAXBWBL-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686054 1269799003 /nfs/dbraw/zinc/79/90/03/1269799003.db2.gz ZDGLWGBVAXBWBL-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001086084397 1269853760 /nfs/dbraw/zinc/85/37/60/1269853760.db2.gz PDJURDASYGAERR-JQHSSLGASA-N 1 3 349.544 2.914 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086084990 1269859321 /nfs/dbraw/zinc/85/93/21/1269859321.db2.gz NEYLWSLLLPZERU-SXLOBPIMSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001410867996 1269946909 /nfs/dbraw/zinc/94/69/09/1269946909.db2.gz SDHZZUNRWBMTFW-UONOGXRCSA-N 1 3 348.318 2.760 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033826260 1270248656 /nfs/dbraw/zinc/24/86/56/1270248656.db2.gz NPSNINVALCDMEB-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033826260 1270248664 /nfs/dbraw/zinc/24/86/64/1270248664.db2.gz NPSNINVALCDMEB-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001005407751 1270392106 /nfs/dbraw/zinc/39/21/06/1270392106.db2.gz SGXUFPPHQUIBQD-CRAIPNDOSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001005407751 1270392116 /nfs/dbraw/zinc/39/21/16/1270392116.db2.gz SGXUFPPHQUIBQD-CRAIPNDOSA-N 1 3 349.544 2.820 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932163 1270618998 /nfs/dbraw/zinc/61/89/98/1270618998.db2.gz IPHRIQCXIAQBMV-RTBURBONSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932163 1270619004 /nfs/dbraw/zinc/61/90/04/1270619004.db2.gz IPHRIQCXIAQBMV-RTBURBONSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1c(C)cccc1Cl ZINC001128786200 1270682295 /nfs/dbraw/zinc/68/22/95/1270682295.db2.gz SPHASAXWEOHXHW-QGZVFWFLSA-N 1 3 337.895 2.729 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1c(C)cccc1Cl ZINC001128786200 1270682299 /nfs/dbraw/zinc/68/22/99/1270682299.db2.gz SPHASAXWEOHXHW-QGZVFWFLSA-N 1 3 337.895 2.729 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033942143 1270707305 /nfs/dbraw/zinc/70/73/05/1270707305.db2.gz YEWNXKAIURQEQH-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CC3)C2)c1 ZINC001086278156 1270803126 /nfs/dbraw/zinc/80/31/26/1270803126.db2.gz JOTQFZPHPPBWCE-IZAXUBKRSA-N 1 3 329.488 2.646 20 0 EFADHO CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CCN(CC=C(C)C)C1 ZINC001034014204 1270832972 /nfs/dbraw/zinc/83/29/72/1270832972.db2.gz ZNNKMDWUHFYKBY-FQEVSTJZSA-N 1 3 347.547 2.997 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001034046694 1270958482 /nfs/dbraw/zinc/95/84/82/1270958482.db2.gz UKIQLPRNPSVNCT-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001034046694 1270958486 /nfs/dbraw/zinc/95/84/86/1270958486.db2.gz UKIQLPRNPSVNCT-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086364826 1271168975 /nfs/dbraw/zinc/16/89/75/1271168975.db2.gz SYMBFJPOIGEULC-BHIYHBOVSA-N 1 3 347.547 2.924 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086364576 1271169019 /nfs/dbraw/zinc/16/90/19/1271169019.db2.gz JZGGGPZVLSGQFM-BRWVUGGUSA-N 1 3 335.517 2.605 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086381951 1271225146 /nfs/dbraw/zinc/22/51/46/1271225146.db2.gz NLUZXOZYWMIGGS-UFYCRDLUSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001086382845 1271226173 /nfs/dbraw/zinc/22/61/73/1271226173.db2.gz ZXFXLFXHFPRQPA-JFIYKMOQSA-N 1 3 349.544 2.649 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC001034273199 1271522674 /nfs/dbraw/zinc/52/26/74/1271522674.db2.gz ZZMKNMFZWFGNHP-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001034273199 1271522680 /nfs/dbraw/zinc/52/26/80/1271522680.db2.gz ZZMKNMFZWFGNHP-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001034273199 1271522689 /nfs/dbraw/zinc/52/26/89/1271522689.db2.gz ZZMKNMFZWFGNHP-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](F)CN1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291601 1271575000 /nfs/dbraw/zinc/57/50/00/1271575000.db2.gz MKUSIASIUXBVKW-CVEARBPZSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291601 1271575008 /nfs/dbraw/zinc/57/50/08/1271575008.db2.gz MKUSIASIUXBVKW-CVEARBPZSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291601 1271575013 /nfs/dbraw/zinc/57/50/13/1271575013.db2.gz MKUSIASIUXBVKW-CVEARBPZSA-N 1 3 332.423 2.667 20 0 EFADHO CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330278 1271671890 /nfs/dbraw/zinc/67/18/90/1271671890.db2.gz LWDDNCSQIZGWAS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330278 1271671896 /nfs/dbraw/zinc/67/18/96/1271671896.db2.gz LWDDNCSQIZGWAS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341042 1271703861 /nfs/dbraw/zinc/70/38/61/1271703861.db2.gz ZBRZUDNQTYFVCZ-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341042 1271703867 /nfs/dbraw/zinc/70/38/67/1271703867.db2.gz ZBRZUDNQTYFVCZ-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)C1 ZINC001034395684 1271886398 /nfs/dbraw/zinc/88/63/98/1271886398.db2.gz BODCXHJIFVOXRD-YJBOKZPZSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034395684 1271886410 /nfs/dbraw/zinc/88/64/10/1271886410.db2.gz BODCXHJIFVOXRD-YJBOKZPZSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)C1 ZINC001034396770 1271889457 /nfs/dbraw/zinc/88/94/57/1271889457.db2.gz HQMJBLCLYGPBTG-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)C1 ZINC001034396770 1271889463 /nfs/dbraw/zinc/88/94/63/1271889463.db2.gz HQMJBLCLYGPBTG-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398188 1271890851 /nfs/dbraw/zinc/89/08/51/1271890851.db2.gz NITBJIPJZIAPFH-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398188 1271890867 /nfs/dbraw/zinc/89/08/67/1271890867.db2.gz NITBJIPJZIAPFH-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)CC1 ZINC000746241027 1271929033 /nfs/dbraw/zinc/92/90/33/1271929033.db2.gz UGHHVMFLONFPMI-GOSISDBHSA-N 1 3 329.488 2.626 20 0 EFADHO Cc1ccncc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001411211962 1272005387 /nfs/dbraw/zinc/00/53/87/1272005387.db2.gz AGZNZZDUVASPHW-QZTJIDSGSA-N 1 3 348.535 2.597 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001168754923 1272027853 /nfs/dbraw/zinc/02/78/53/1272027853.db2.gz FAHKXWITDZRNOM-GOSISDBHSA-N 1 3 335.467 2.641 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C ZINC001168755061 1272108238 /nfs/dbraw/zinc/10/82/38/1272108238.db2.gz HAEYOVUJHTZBLM-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761034 1272171393 /nfs/dbraw/zinc/17/13/93/1272171393.db2.gz DMWYSGXYSHAUIO-YLJYHZDGSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761034 1272171397 /nfs/dbraw/zinc/17/13/97/1272171397.db2.gz DMWYSGXYSHAUIO-YLJYHZDGSA-N 1 3 328.431 2.971 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001168755116 1272191405 /nfs/dbraw/zinc/19/14/05/1272191405.db2.gz ILDZVKWUEAXNMQ-UHFFFAOYSA-N 1 3 327.419 2.562 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034529341 1272202364 /nfs/dbraw/zinc/20/23/64/1272202364.db2.gz YZCXRHWZGOVSGL-GOSISDBHSA-N 1 3 347.478 2.701 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541092 1272250409 /nfs/dbraw/zinc/25/04/09/1272250409.db2.gz LYTLVMGGKZFKBB-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001034541092 1272250412 /nfs/dbraw/zinc/25/04/12/1272250412.db2.gz LYTLVMGGKZFKBB-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]13)C2 ZINC001169122871 1272677792 /nfs/dbraw/zinc/67/77/92/1272677792.db2.gz FPUDWTJAISJXNA-OOOWVJFSSA-N 1 3 347.503 2.623 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]13)C2 ZINC001169122871 1272677801 /nfs/dbraw/zinc/67/78/01/1272677801.db2.gz FPUDWTJAISJXNA-OOOWVJFSSA-N 1 3 347.503 2.623 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc3ccccc3Cl)C1)C2 ZINC001169124377 1272680456 /nfs/dbraw/zinc/68/04/56/1272680456.db2.gz QNYUGMVCGZVZAO-WCXIOVBPSA-N 1 3 347.890 2.656 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125433 1272682513 /nfs/dbraw/zinc/68/25/13/1272682513.db2.gz ILWNGXHKFNVZIZ-MWDXBVQZSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125433 1272682515 /nfs/dbraw/zinc/68/25/15/1272682515.db2.gz ILWNGXHKFNVZIZ-MWDXBVQZSA-N 1 3 337.508 2.800 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)c1cccc(F)c1NC3=O)C2 ZINC001169136882 1272696432 /nfs/dbraw/zinc/69/64/32/1272696432.db2.gz BIGFIKTWXYCFGQ-FICVDOATSA-N 1 3 343.446 2.737 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)c1cccc(F)c1NC3=O)C2 ZINC001169136882 1272696436 /nfs/dbraw/zinc/69/64/36/1272696436.db2.gz BIGFIKTWXYCFGQ-FICVDOATSA-N 1 3 343.446 2.737 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146414 1272708410 /nfs/dbraw/zinc/70/84/10/1272708410.db2.gz PFZHMLJKHGMYFX-MUJYYYPQSA-N 1 3 325.497 2.847 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169146414 1272708417 /nfs/dbraw/zinc/70/84/17/1272708417.db2.gz PFZHMLJKHGMYFX-MUJYYYPQSA-N 1 3 325.497 2.847 20 0 EFADHO CC1(C)C[C@H](Nc2ccc3c(c2)COC32CNC2)C[C@](C)(C[NH3+])C1 ZINC001169154303 1272714406 /nfs/dbraw/zinc/71/44/06/1272714406.db2.gz WKMMMTSAPWCEED-LPHOPBHVSA-N 1 3 329.488 2.971 20 0 EFADHO CCOC(=O)c1coc(C2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001169155005 1272715726 /nfs/dbraw/zinc/71/57/26/1272715726.db2.gz VUTCWFKWHVBZCY-MUJYYYPQSA-N 1 3 347.459 2.656 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169153611 1272716347 /nfs/dbraw/zinc/71/63/47/1272716347.db2.gz LLQDXXDLHJZWCM-UUAJXVIYSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001169153611 1272716353 /nfs/dbraw/zinc/71/63/53/1272716353.db2.gz LLQDXXDLHJZWCM-UUAJXVIYSA-N 1 3 337.508 2.847 20 0 EFADHO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034733340 1272759708 /nfs/dbraw/zinc/75/97/08/1272759708.db2.gz WJKWWPWYNIVUKT-MPGHIAIKSA-N 1 3 327.488 2.624 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC001034735461 1272761202 /nfs/dbraw/zinc/76/12/02/1272761202.db2.gz HRVDAYQYRRNKJZ-SZMVWBNQSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001034735942 1272762608 /nfs/dbraw/zinc/76/26/08/1272762608.db2.gz QZPZYOJNMGECHD-IHPCNDPISA-N 1 3 343.515 2.996 20 0 EFADHO CCN1CCC([N@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001169249702 1272773128 /nfs/dbraw/zinc/77/31/28/1272773128.db2.gz JYDJERAMWJKMCW-BGYRXZFFSA-N 1 3 327.516 2.843 20 0 EFADHO CCN1CCC([N@@H+]2C[C@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001169249702 1272773134 /nfs/dbraw/zinc/77/31/34/1272773134.db2.gz JYDJERAMWJKMCW-BGYRXZFFSA-N 1 3 327.516 2.843 20 0 EFADHO CC[NH+]1CCC(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cccnc2)CC1 ZINC001169248739 1272774454 /nfs/dbraw/zinc/77/44/54/1272774454.db2.gz AKSQEVVPXYUTKU-SFTDATJTSA-N 1 3 343.515 2.978 20 0 EFADHO CC[NH+]1CCC(N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC1 ZINC001169255315 1272777686 /nfs/dbraw/zinc/77/76/86/1272777686.db2.gz PLNKYRKIFIAOST-IBGZPJMESA-N 1 3 347.528 2.970 20 0 EFADHO CC[NH+]1CCC(N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)CC1 ZINC001169255320 1272778121 /nfs/dbraw/zinc/77/81/21/1272778121.db2.gz PLNKYRKIFIAOST-LJQANCHMSA-N 1 3 347.528 2.970 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1 ZINC001034737278 1272786842 /nfs/dbraw/zinc/78/68/42/1272786842.db2.gz ISYCEUPHDXQRNJ-ULQDDVLXSA-N 1 3 349.544 2.792 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001156307011 1272910729 /nfs/dbraw/zinc/91/07/29/1272910729.db2.gz ZIKZGCHQEVWCNE-IAGOWNOFSA-N 1 3 329.504 2.827 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCF ZINC001156307011 1272910736 /nfs/dbraw/zinc/91/07/36/1272910736.db2.gz ZIKZGCHQEVWCNE-IAGOWNOFSA-N 1 3 329.504 2.827 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1 ZINC001034786668 1272964081 /nfs/dbraw/zinc/96/40/81/1272964081.db2.gz QECUXHWTIALZHZ-SHTZXODSSA-N 1 3 346.500 2.582 20 0 EFADHO C[C@H]1CN(Cc2cc(O)cc(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206013105 1273019396 /nfs/dbraw/zinc/01/93/96/1273019396.db2.gz PLXVVNSIBORGNB-WCQYABFASA-N 1 3 327.266 2.962 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169722218 1273124236 /nfs/dbraw/zinc/12/42/36/1273124236.db2.gz XRYYANBENYGTPY-LJQANCHMSA-N 1 3 329.488 2.754 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2ccc(NCc3ncccc3[O-])cc2)CC1 ZINC001169733879 1273143847 /nfs/dbraw/zinc/14/38/47/1273143847.db2.gz ZXJVVJFDCPKFKD-UHFFFAOYSA-N 1 3 326.444 2.570 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001034885491 1273150302 /nfs/dbraw/zinc/15/03/02/1273150302.db2.gz VDTRGMVROCXRRM-UXHICEINSA-N 1 3 341.499 2.739 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@@H]2C1 ZINC001169791084 1273169904 /nfs/dbraw/zinc/16/99/04/1273169904.db2.gz RDCXRXIKJATAGO-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@@H]2C1 ZINC001169791084 1273169910 /nfs/dbraw/zinc/16/99/10/1273169910.db2.gz RDCXRXIKJATAGO-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791084 1273169918 /nfs/dbraw/zinc/16/99/18/1273169918.db2.gz RDCXRXIKJATAGO-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791084 1273169922 /nfs/dbraw/zinc/16/99/22/1273169922.db2.gz RDCXRXIKJATAGO-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO COc1ccc(C2([NH3+])CCN([C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169926804 1273264960 /nfs/dbraw/zinc/26/49/60/1273264960.db2.gz HOYGHFZOPVPJOA-KRWDZBQOSA-N 1 3 346.471 2.631 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001034957418 1273270683 /nfs/dbraw/zinc/27/06/83/1273270683.db2.gz SWAKCVVFJNKUQL-SJLPKXTDSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001034957834 1273272654 /nfs/dbraw/zinc/27/26/54/1273272654.db2.gz LFYZWPPNYQLCIP-DNVCBOLYSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001034958294 1273272898 /nfs/dbraw/zinc/27/28/98/1273272898.db2.gz GULBCSNLIWFROY-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957849 1273272942 /nfs/dbraw/zinc/27/29/42/1273272942.db2.gz LVQBBTQVSNUHJQ-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001034958830 1273275322 /nfs/dbraw/zinc/27/53/22/1273275322.db2.gz MIELJOYQPFSFRQ-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034959516 1273276870 /nfs/dbraw/zinc/27/68/70/1273276870.db2.gz ZVEZRZCIBDVFRQ-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001034973776 1273294271 /nfs/dbraw/zinc/29/42/71/1273294271.db2.gz CNZOPRHQDJYRSE-QZTJIDSGSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001034973707 1273294349 /nfs/dbraw/zinc/29/43/49/1273294349.db2.gz BFVXQYNVBCEWOB-BHIYHBOVSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001034974426 1273296920 /nfs/dbraw/zinc/29/69/20/1273296920.db2.gz HTSRJWKYWDQMKX-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001034975342 1273297900 /nfs/dbraw/zinc/29/79/00/1273297900.db2.gz RGJRZQYXWMSYTD-SJLPKXTDSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001034974861 1273298207 /nfs/dbraw/zinc/29/82/07/1273298207.db2.gz JWDHSLGQIOTCHA-BHIYHBOVSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001034964349 1273317502 /nfs/dbraw/zinc/31/75/02/1273317502.db2.gz JCUVYHKAALNUHI-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001034964729 1273318417 /nfs/dbraw/zinc/31/84/17/1273318417.db2.gz USYUIFXTHPUKQK-MOPGFXCFSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001034966171 1273322051 /nfs/dbraw/zinc/32/20/51/1273322051.db2.gz PQQFBVYPCBIGJF-UHOSZYNNSA-N 1 3 331.504 2.914 20 0 EFADHO CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703572 1273376838 /nfs/dbraw/zinc/37/68/38/1273376838.db2.gz RBNZALJMUXMWRH-SKNOTLCPSA-N 1 3 333.520 2.796 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703570 1273377174 /nfs/dbraw/zinc/37/71/74/1273377174.db2.gz RBNZALJMUXMWRH-NQVSYGGRSA-N 1 3 333.520 2.796 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001129358897 1273396991 /nfs/dbraw/zinc/39/69/91/1273396991.db2.gz YBBVUQJDGVJFQT-MRXNPFEDSA-N 1 3 335.879 2.517 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001035039461 1273426104 /nfs/dbraw/zinc/42/61/04/1273426104.db2.gz CQTGIRIRRQUGND-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001035039970 1273426624 /nfs/dbraw/zinc/42/66/24/1273426624.db2.gz PWUNQDYZEFGNCZ-UYAOXDASSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001035040277 1273427371 /nfs/dbraw/zinc/42/73/71/1273427371.db2.gz YEXCFKAPCGHHRW-BZUAXINKSA-N 1 3 345.478 2.589 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC001035062346 1273448060 /nfs/dbraw/zinc/44/80/60/1273448060.db2.gz GYQIUJOZKCHNMD-HXUWFJFHSA-N 1 3 348.450 2.886 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001035062796 1273449981 /nfs/dbraw/zinc/44/99/81/1273449981.db2.gz NEARFCVKVUFPHY-MJGOQNOKSA-N 1 3 338.455 2.610 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001035062789 1273450012 /nfs/dbraw/zinc/45/00/12/1273450012.db2.gz MWLBYFXMQAYPGI-LJQANCHMSA-N 1 3 340.471 2.856 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001035049747 1273467111 /nfs/dbraw/zinc/46/71/11/1273467111.db2.gz SBQGDBMOSRALBM-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001035050186 1273468560 /nfs/dbraw/zinc/46/85/60/1273468560.db2.gz WTLCMXMDXZTTNR-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001035051973 1273469583 /nfs/dbraw/zinc/46/95/83/1273469583.db2.gz BFVXQYNVBCEWOB-NEWSRXKRSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001035052192 1273470245 /nfs/dbraw/zinc/47/02/45/1273470245.db2.gz HTSRJWKYWDQMKX-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108765958 1273470419 /nfs/dbraw/zinc/47/04/19/1273470419.db2.gz VLTVRONHQQEINT-KSZLIROESA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC001035052326 1273470645 /nfs/dbraw/zinc/47/06/45/1273470645.db2.gz KONUEZIEPWXIFP-XHSDSOJGSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001035052577 1273471315 /nfs/dbraw/zinc/47/13/15/1273471315.db2.gz QAWHLJDCNRPRPG-HOJAQTOUSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001035052727 1273471360 /nfs/dbraw/zinc/47/13/60/1273471360.db2.gz ZRKPGRBFDXPGKQ-CRAIPNDOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001035102634 1273517681 /nfs/dbraw/zinc/51/76/81/1273517681.db2.gz PRQGEJVOKVKLIG-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001035102634 1273517686 /nfs/dbraw/zinc/51/76/86/1273517686.db2.gz PRQGEJVOKVKLIG-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035132523 1273602788 /nfs/dbraw/zinc/60/27/88/1273602788.db2.gz ARDVBVAENHIZJD-MOPGFXCFSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000704789865 1273659984 /nfs/dbraw/zinc/65/99/84/1273659984.db2.gz WQQLIIQYZSQUTA-DLBZAZTESA-N 1 3 325.447 2.811 20 0 EFADHO [NH3+]CCCCCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000844200415 1278805347 /nfs/dbraw/zinc/80/53/47/1278805347.db2.gz UDAHGMFEABQFPF-QGZVFWFLSA-N 1 3 335.467 2.673 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196574 1273760348 /nfs/dbraw/zinc/76/03/48/1273760348.db2.gz PDPVNKSGPZYXFI-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196574 1273760353 /nfs/dbraw/zinc/76/03/53/1273760353.db2.gz PDPVNKSGPZYXFI-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193396 1273812739 /nfs/dbraw/zinc/81/27/39/1273812739.db2.gz AWRUCTCMIBZVTB-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193396 1273812747 /nfs/dbraw/zinc/81/27/47/1273812747.db2.gz AWRUCTCMIBZVTB-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](C/C=C/Cl)C2)CC1)C1CCC1 ZINC001035193883 1273814609 /nfs/dbraw/zinc/81/46/09/1273814609.db2.gz BWUAUJSKKNSRHW-YCRREMRBSA-N 1 3 339.911 2.538 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](C/C=C/Cl)C2)CC1)C1CCC1 ZINC001035193883 1273814618 /nfs/dbraw/zinc/81/46/18/1273814618.db2.gz BWUAUJSKKNSRHW-YCRREMRBSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193551 1273816421 /nfs/dbraw/zinc/81/64/21/1273816421.db2.gz FZIQBPBZRQSKCR-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035193551 1273816431 /nfs/dbraw/zinc/81/64/31/1273816431.db2.gz FZIQBPBZRQSKCR-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227749 1273849607 /nfs/dbraw/zinc/84/96/07/1273849607.db2.gz XHRYBNDMIBQOCJ-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227749 1273849613 /nfs/dbraw/zinc/84/96/13/1273849613.db2.gz XHRYBNDMIBQOCJ-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228516 1273853222 /nfs/dbraw/zinc/85/32/22/1273853222.db2.gz SUAHHSUQSHQPMC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035228516 1273853228 /nfs/dbraw/zinc/85/32/28/1273853228.db2.gz SUAHHSUQSHQPMC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)N(C)C ZINC001035229646 1273934206 /nfs/dbraw/zinc/93/42/06/1273934206.db2.gz VSYAQTYSOPDWJX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)N(C)C ZINC001035229646 1273934217 /nfs/dbraw/zinc/93/42/17/1273934217.db2.gz VSYAQTYSOPDWJX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001035254591 1273985216 /nfs/dbraw/zinc/98/52/16/1273985216.db2.gz MJGJOWBJXGTQBK-UHFFFAOYSA-N 1 3 347.528 2.658 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001035254591 1273985223 /nfs/dbraw/zinc/98/52/23/1273985223.db2.gz MJGJOWBJXGTQBK-UHFFFAOYSA-N 1 3 347.528 2.658 20 0 EFADHO CC1(C)CC([NH+]2CCC(N)(Cc3cccnc3)CC2)CC(C)(C)N1O ZINC001169986983 1273999552 /nfs/dbraw/zinc/99/95/52/1273999552.db2.gz DWBRRFYQBJCILF-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO CC1(C)CC(N2CCC([NH3+])(Cc3cccnc3)CC2)CC(C)(C)N1O ZINC001169986983 1273999562 /nfs/dbraw/zinc/99/95/62/1273999562.db2.gz DWBRRFYQBJCILF-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109419589 1274256382 /nfs/dbraw/zinc/25/63/82/1274256382.db2.gz WNDPKELSNVGXEV-YRPNKDGESA-N 1 3 341.499 2.783 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109419589 1274256388 /nfs/dbraw/zinc/25/63/88/1274256388.db2.gz WNDPKELSNVGXEV-YRPNKDGESA-N 1 3 341.499 2.783 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035720288 1274405842 /nfs/dbraw/zinc/40/58/42/1274405842.db2.gz LJEVETJHQSWWQH-LJQANCHMSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035720288 1274405852 /nfs/dbraw/zinc/40/58/52/1274405852.db2.gz LJEVETJHQSWWQH-LJQANCHMSA-N 1 3 347.547 2.855 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)C1CC1 ZINC001035721469 1274407358 /nfs/dbraw/zinc/40/73/58/1274407358.db2.gz WOGUKVLWWBJPET-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)C1CC1 ZINC001035721431 1274407534 /nfs/dbraw/zinc/40/75/34/1274407534.db2.gz VMQPSQCKTIZQJA-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CC4CC(C)(C)C4)C3)CC2)CCC1 ZINC001035724150 1274411744 /nfs/dbraw/zinc/41/17/44/1274411744.db2.gz RVIBFMFDRUBLLP-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733597 1274423467 /nfs/dbraw/zinc/42/34/67/1274423467.db2.gz VWSKBSZVVWHXJR-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733597 1274423471 /nfs/dbraw/zinc/42/34/71/1274423471.db2.gz VWSKBSZVVWHXJR-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590207 1274453027 /nfs/dbraw/zinc/45/30/27/1274453027.db2.gz XYVKUAJWIBNFPM-BDINKKKZSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590207 1274453031 /nfs/dbraw/zinc/45/30/31/1274453031.db2.gz XYVKUAJWIBNFPM-BDINKKKZSA-N 1 3 333.520 2.939 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3CC4(CCC4)C3)C2)CC1)N(C)C ZINC001035796526 1274494903 /nfs/dbraw/zinc/49/49/03/1274494903.db2.gz IDSZKCAJSQJTSQ-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCc3cccs3)C2)CC1)N(C)C ZINC001035798789 1274496747 /nfs/dbraw/zinc/49/67/47/1274496747.db2.gz SPNRVCREIPVPNP-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001035778566 1274507621 /nfs/dbraw/zinc/50/76/21/1274507621.db2.gz IKNKKMNFTSWZAV-ROUUACIJSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035778566 1274507629 /nfs/dbraw/zinc/50/76/29/1274507629.db2.gz IKNKKMNFTSWZAV-ROUUACIJSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035821345 1274516704 /nfs/dbraw/zinc/51/67/04/1274516704.db2.gz ZAQMYAVOHHWKSC-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)cc1C ZINC001109653941 1274523057 /nfs/dbraw/zinc/52/30/57/1274523057.db2.gz OGMMECNDWDSNQZ-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001035851575 1274558716 /nfs/dbraw/zinc/55/87/16/1274558716.db2.gz RPBPTUIZLGVIMJ-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO Cc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035851524 1274558953 /nfs/dbraw/zinc/55/89/53/1274558953.db2.gz PIOFPGOYCNTICS-UHFFFAOYSA-N 1 3 341.499 2.515 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836087 1274573435 /nfs/dbraw/zinc/57/34/35/1274573435.db2.gz GBJNSAXKMGCJKM-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1 ZINC001035856716 1274604900 /nfs/dbraw/zinc/60/49/00/1274604900.db2.gz AGTXVEPUXAWLIT-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001035857264 1274606576 /nfs/dbraw/zinc/60/65/76/1274606576.db2.gz LAUGELYLUOXEDS-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC2(C[NH+](CCCF)C2)CC1 ZINC001035857759 1274608166 /nfs/dbraw/zinc/60/81/66/1274608166.db2.gz DDWBIYLQELVSDD-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CC(C)C[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035858861 1274611168 /nfs/dbraw/zinc/61/11/68/1274611168.db2.gz NNKJGYOUDMMZEG-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)N3CCCC3)C2)s1 ZINC000844327346 1278888210 /nfs/dbraw/zinc/88/82/10/1278888210.db2.gz PXYTWCFKHLKYRI-KRWDZBQOSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)N3CCCC3)C2)s1 ZINC000844327346 1278888222 /nfs/dbraw/zinc/88/82/22/1278888222.db2.gz PXYTWCFKHLKYRI-KRWDZBQOSA-N 1 3 349.544 2.823 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036027138 1274898884 /nfs/dbraw/zinc/89/88/84/1274898884.db2.gz GGHDTKKXFXGEGC-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC001036052609 1274976582 /nfs/dbraw/zinc/97/65/82/1274976582.db2.gz BJFLAULKCZBVSE-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001036055950 1274982803 /nfs/dbraw/zinc/98/28/03/1274982803.db2.gz RVAUGASZSNISAT-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036064116 1274994574 /nfs/dbraw/zinc/99/45/74/1274994574.db2.gz LPUHQIMQIPLUOE-WMLDXEAASA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036066742 1275022092 /nfs/dbraw/zinc/02/20/92/1275022092.db2.gz RTDLDZKEBQGTIN-QFBILLFUSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036197054 1275210113 /nfs/dbraw/zinc/21/01/13/1275210113.db2.gz BZXBYAPHQBDWLN-QFBILLFUSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)c1 ZINC001036197125 1275210145 /nfs/dbraw/zinc/21/01/45/1275210145.db2.gz DJQKPKLIVVQQFD-APWZRJJASA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)c1 ZINC001036197127 1275210529 /nfs/dbraw/zinc/21/05/29/1275210529.db2.gz DJQKPKLIVVQQFD-QFBILLFUSA-N 1 3 340.471 2.596 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112567814 1275221086 /nfs/dbraw/zinc/22/10/86/1275221086.db2.gz JNUUCNHVVMPMCT-PXNSSMCTSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCNCc1nc2cc(C)ccc2s1 ZINC001170223404 1278932203 /nfs/dbraw/zinc/93/22/03/1278932203.db2.gz TTYUWISAPPOVBV-UHFFFAOYSA-N 1 3 348.516 2.542 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCNCc1nc2cc(C)ccc2s1 ZINC001170223404 1278932218 /nfs/dbraw/zinc/93/22/18/1278932218.db2.gz TTYUWISAPPOVBV-UHFFFAOYSA-N 1 3 348.516 2.542 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC001036207597 1275226725 /nfs/dbraw/zinc/22/67/25/1275226725.db2.gz UEZIHHJFPSZWKI-APWZRJJASA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036190341 1275246363 /nfs/dbraw/zinc/24/63/63/1275246363.db2.gz CWYOYSYBKZOFDS-DOTOQJQBSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036191951 1275248963 /nfs/dbraw/zinc/24/89/63/1275248963.db2.gz IDQMIISWFNSNGC-FUHWJXTLSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036191929 1275249286 /nfs/dbraw/zinc/24/92/86/1275249286.db2.gz FYTJPLZKNVWKLA-QFBILLFUSA-N 1 3 340.471 2.596 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585963 1275312574 /nfs/dbraw/zinc/31/25/74/1275312574.db2.gz BAZFWCPTXLNJOP-GGVAOPBYSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036301578 1275382237 /nfs/dbraw/zinc/38/22/37/1275382237.db2.gz GANOSSHBMASPLQ-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036305540 1275424305 /nfs/dbraw/zinc/42/43/05/1275424305.db2.gz UMHQRKGUXKQODZ-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036306646 1275427466 /nfs/dbraw/zinc/42/74/66/1275427466.db2.gz YEOCITSLIQNZLH-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408225 1275549803 /nfs/dbraw/zinc/54/98/03/1275549803.db2.gz FASZYOZHIRRAHC-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408802 1275551588 /nfs/dbraw/zinc/55/15/88/1275551588.db2.gz GROSVETTWFLIGY-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO COc1ccc(C[C@@H]2CCCCN2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000844414802 1278963706 /nfs/dbraw/zinc/96/37/06/1278963706.db2.gz YHDVRXVXEQQBTD-RBUKOAKNSA-N 1 3 332.488 2.549 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036408299 1275595221 /nfs/dbraw/zinc/59/52/21/1275595221.db2.gz AAAFEBIZFBEAGC-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448932 1275607717 /nfs/dbraw/zinc/60/77/17/1275607717.db2.gz CKQNWEOLPJRBMY-DOTOQJQBSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448616 1275608271 /nfs/dbraw/zinc/60/82/71/1275608271.db2.gz BYVPRSNKDFDEQV-ZBFHGGJFSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036455095 1275682138 /nfs/dbraw/zinc/68/21/38/1275682138.db2.gz GAQLQTCVFTXZGA-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CN1CCCC1 ZINC000746652807 1275698675 /nfs/dbraw/zinc/69/86/75/1275698675.db2.gz RDGQPIBWYKEARU-INIZCTEOSA-N 1 3 330.394 2.984 20 0 EFADHO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CN1CCCC1 ZINC000746652807 1275698685 /nfs/dbraw/zinc/69/86/85/1275698685.db2.gz RDGQPIBWYKEARU-INIZCTEOSA-N 1 3 330.394 2.984 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036469610 1275712510 /nfs/dbraw/zinc/71/25/10/1275712510.db2.gz ASVUDSISBYPYEI-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036477163 1275726368 /nfs/dbraw/zinc/72/63/68/1275726368.db2.gz XTLPWWSDQYKGGZ-IRXDYDNUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036477165 1275726440 /nfs/dbraw/zinc/72/64/40/1275726440.db2.gz XTLPWWSDQYKGGZ-SJORKVTESA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450599 1275732293 /nfs/dbraw/zinc/73/22/93/1275732293.db2.gz OKFSCYXORXFFLO-GDBMZVCRSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450546 1275732341 /nfs/dbraw/zinc/73/23/41/1275732341.db2.gz NRJRWXHTRPULSS-AEFFLSMTSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036451806 1275735972 /nfs/dbraw/zinc/73/59/72/1275735972.db2.gz QCQQMGNWTGUAHT-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(N3CCCC[C@@H]3C)n2)O1 ZINC001170278448 1278993921 /nfs/dbraw/zinc/99/39/21/1278993921.db2.gz PXJHZLXZHIPOOC-WFXMFSGNSA-N 1 3 348.491 2.597 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001135995603 1276286038 /nfs/dbraw/zinc/28/60/38/1276286038.db2.gz IJQSHOJYBOLJRM-NNQLKGDCSA-N 1 3 338.323 2.910 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001135995603 1276286040 /nfs/dbraw/zinc/28/60/40/1276286040.db2.gz IJQSHOJYBOLJRM-NNQLKGDCSA-N 1 3 338.323 2.910 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031133 1276339045 /nfs/dbraw/zinc/33/90/45/1276339045.db2.gz GEONYFFVIIXFNA-LSDHHAIUSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001136031372 1276339928 /nfs/dbraw/zinc/33/99/28/1276339928.db2.gz JMVWQXQAHCAVLO-UIOUNXJESA-N 1 3 340.471 2.847 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001136031861 1276340211 /nfs/dbraw/zinc/34/02/11/1276340211.db2.gz RLPCSBVDFIJZFN-JKSUJKDBSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001136031636 1276340392 /nfs/dbraw/zinc/34/03/92/1276340392.db2.gz NQMSUWHPROOBHR-HUUCEWRRSA-N 1 3 328.460 2.642 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)cc1 ZINC001136031567 1276340462 /nfs/dbraw/zinc/34/04/62/1276340462.db2.gz MVLNCZJNMFZMHP-GJZGRUSLSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001136032048 1276341349 /nfs/dbraw/zinc/34/13/49/1276341349.db2.gz VFFOUGXMGVSDNT-QWHCGFSZSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001136032046 1276341780 /nfs/dbraw/zinc/34/17/80/1276341780.db2.gz VFFOUGXMGVSDNT-CHWSQXEVSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1nccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cn1 ZINC000817888099 1276348006 /nfs/dbraw/zinc/34/80/06/1276348006.db2.gz ANIRSJKEOICPKA-HNAYVOBHSA-N 1 3 335.455 2.624 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831236 1276348761 /nfs/dbraw/zinc/34/87/61/1276348761.db2.gz OXNQFJUNBVTUOD-RLLQIKCJSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831236 1276348764 /nfs/dbraw/zinc/34/87/64/1276348764.db2.gz OXNQFJUNBVTUOD-RLLQIKCJSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccc12 ZINC000817880078 1276359610 /nfs/dbraw/zinc/35/96/10/1276359610.db2.gz LMUAECZGDYQEKC-BPUTZDHNSA-N 1 3 344.455 2.785 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929724 1276362046 /nfs/dbraw/zinc/36/20/46/1276362046.db2.gz SAKOQUQGPULONX-QLFBSQMISA-N 1 3 327.266 2.732 20 0 EFADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817900321 1276366318 /nfs/dbraw/zinc/36/63/18/1276366318.db2.gz ODXHVWAUXNYYBM-GGPKGHCWSA-N 1 3 342.414 2.705 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901260 1276367005 /nfs/dbraw/zinc/36/70/05/1276367005.db2.gz UNJUJVLAUIYCIJ-UGFHNGPFSA-N 1 3 332.366 2.596 20 0 EFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902629 1276367336 /nfs/dbraw/zinc/36/73/36/1276367336.db2.gz VTOWXOLCLNOHOI-AABGKKOBSA-N 1 3 326.440 2.768 20 0 EFADHO COc1ccc([C@H](NC[C@H](C)N2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817913126 1276374753 /nfs/dbraw/zinc/37/47/53/1276374753.db2.gz FHXGNNIDGXQRQJ-VDGAXYAQSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924166 1276379610 /nfs/dbraw/zinc/37/96/10/1276379610.db2.gz FJOVEHITDLIXSQ-ZEWNOJEFSA-N 1 3 340.467 2.729 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H](NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000817949055 1276396536 /nfs/dbraw/zinc/39/65/36/1276396536.db2.gz GUDFBCKOLLANRI-SJORKVTESA-N 1 3 331.460 2.772 20 0 EFADHO Cc1cc(F)ccc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000817972956 1276415972 /nfs/dbraw/zinc/41/59/72/1276415972.db2.gz QNBJQGVELDCBHU-IUODEOHRSA-N 1 3 333.373 2.621 20 0 EFADHO C[C@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ncc1F ZINC000817976984 1276417184 /nfs/dbraw/zinc/41/71/84/1276417184.db2.gz YKZVVLMCECLWOO-JOYOIKCWSA-N 1 3 328.229 2.776 20 0 EFADHO COc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1CN1CCCCC1 ZINC000817978199 1276417323 /nfs/dbraw/zinc/41/73/23/1276417323.db2.gz YHXZCBNEWMSNNV-QKUWSGOFSA-N 1 3 329.488 2.550 20 0 EFADHO N[C@H](CCC[NH3+])Nc1ccc(Oc2nccc(C(F)(F)F)n2)cc1 ZINC001170900566 1276507607 /nfs/dbraw/zinc/50/76/07/1276507607.db2.gz WIOAITAWKUKYIG-ZDUSSCGKSA-N 1 3 341.337 2.723 20 0 EFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000818945340 1276554574 /nfs/dbraw/zinc/55/45/74/1276554574.db2.gz CGGCNLBCLDRQIQ-INIZCTEOSA-N 1 3 328.378 2.955 20 0 EFADHO COCC[N@H+](C)CCCNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818953495 1276556856 /nfs/dbraw/zinc/55/68/56/1276556856.db2.gz IMJPOEDUAAMKFD-OAHLLOKOSA-N 1 3 335.275 2.585 20 0 EFADHO COCC[N@@H+](C)CCCNC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818953495 1276556861 /nfs/dbraw/zinc/55/68/61/1276556861.db2.gz IMJPOEDUAAMKFD-OAHLLOKOSA-N 1 3 335.275 2.585 20 0 EFADHO COc1ccc(OC)c([C@@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000819080378 1276599046 /nfs/dbraw/zinc/59/90/46/1276599046.db2.gz FMUSJOXLGHNUAV-WMZOPIPTSA-N 1 3 338.492 2.693 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000819105983 1276610493 /nfs/dbraw/zinc/61/04/93/1276610493.db2.gz RERDMCHWCAGUDC-HCKVZZMMSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)c2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000819105983 1276610508 /nfs/dbraw/zinc/61/05/08/1276610508.db2.gz RERDMCHWCAGUDC-HCKVZZMMSA-N 1 3 345.256 2.694 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819078302 1276621986 /nfs/dbraw/zinc/62/19/86/1276621986.db2.gz ILJVHUYENUAAPT-INIZCTEOSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113050683 1276672498 /nfs/dbraw/zinc/67/24/98/1276672498.db2.gz TVSJOTRZQYCGJL-SFHVURJKSA-N 1 3 346.519 2.734 20 0 EFADHO C[C@@H](CCNCCC(=O)Nc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000819231643 1276700669 /nfs/dbraw/zinc/70/06/69/1276700669.db2.gz ZZCVJNSAVAXGJQ-KRWDZBQOSA-N 1 3 346.519 2.935 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001168762402 1277007874 /nfs/dbraw/zinc/00/78/74/1277007874.db2.gz AMVLEXFAPNJKBR-GOSISDBHSA-N 1 3 331.504 2.544 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001168762487 1277262787 /nfs/dbraw/zinc/26/27/87/1277262787.db2.gz CRBQNOAPGUCBCO-CQSZACIVSA-N 1 3 325.884 2.839 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005990008 1277313650 /nfs/dbraw/zinc/31/36/50/1277313650.db2.gz BSVJZZOBIURHME-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO COCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000820808749 1277316454 /nfs/dbraw/zinc/31/64/54/1277316454.db2.gz MRYBZFGEUPJJKR-IHWFROFDSA-N 1 3 332.488 2.825 20 0 EFADHO COCCOCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000820808749 1277316461 /nfs/dbraw/zinc/31/64/61/1277316461.db2.gz MRYBZFGEUPJJKR-IHWFROFDSA-N 1 3 332.488 2.825 20 0 EFADHO OC[C@H](Cc1c[nH]c2ccccc12)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820811273 1277317984 /nfs/dbraw/zinc/31/79/84/1277317984.db2.gz OBAJUZSDDWBSAR-PUERQQPESA-N 1 3 339.483 2.819 20 0 EFADHO OC[C@H](Cc1c[nH]c2ccccc12)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811273 1277317991 /nfs/dbraw/zinc/31/79/91/1277317991.db2.gz OBAJUZSDDWBSAR-PUERQQPESA-N 1 3 339.483 2.819 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820868516 1277338097 /nfs/dbraw/zinc/33/80/97/1277338097.db2.gz NBTTWFDYCQOTMN-MRXNPFEDSA-N 1 3 339.524 2.955 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC2(CNC(=O)OC(C)(C)C)CCC2)C1 ZINC000820868516 1277338105 /nfs/dbraw/zinc/33/81/05/1277338105.db2.gz NBTTWFDYCQOTMN-MRXNPFEDSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001005995933 1277355199 /nfs/dbraw/zinc/35/51/99/1277355199.db2.gz AHOGBGDDRLISEJ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001005996919 1277376348 /nfs/dbraw/zinc/37/63/48/1277376348.db2.gz OEIOYTZMBKIIGM-HNNXBMFYSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cs1 ZINC001005996919 1277376357 /nfs/dbraw/zinc/37/63/57/1277376357.db2.gz OEIOYTZMBKIIGM-HNNXBMFYSA-N 1 3 349.544 2.964 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175109123 1287312502 /nfs/dbraw/zinc/31/25/02/1287312502.db2.gz ZPQGSDLNGCIBGW-ZWKOTPCHSA-N 1 3 343.556 2.654 20 0 EFADHO Cc1c(O)cccc1C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001144111424 1279124200 /nfs/dbraw/zinc/12/42/00/1279124200.db2.gz BINVBXPPNQPTRP-TZIWHRDSSA-N 1 3 344.499 2.881 20 0 EFADHO Cc1c(O)cccc1C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001144111424 1279124206 /nfs/dbraw/zinc/12/42/06/1279124206.db2.gz BINVBXPPNQPTRP-TZIWHRDSSA-N 1 3 344.499 2.881 20 0 EFADHO CCc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N(C)CC)c1 ZINC001114488261 1287339904 /nfs/dbraw/zinc/33/99/04/1287339904.db2.gz JPHHQKKEIXQSCW-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N(C)CC)c1 ZINC001114488261 1287339910 /nfs/dbraw/zinc/33/99/10/1287339910.db2.gz JPHHQKKEIXQSCW-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001091026528 1279351575 /nfs/dbraw/zinc/35/15/75/1279351575.db2.gz PDJURDASYGAERR-VJFUWPCTSA-N 1 3 349.544 2.914 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001091037726 1279392659 /nfs/dbraw/zinc/39/26/59/1279392659.db2.gz XDLMEQRWRRJYPT-RKHAHWSXSA-N 1 3 349.906 2.665 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2CC(NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001091037726 1279392672 /nfs/dbraw/zinc/39/26/72/1279392672.db2.gz XDLMEQRWRRJYPT-RKHAHWSXSA-N 1 3 349.906 2.665 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091057825 1279471511 /nfs/dbraw/zinc/47/15/11/1279471511.db2.gz CMWNMPPPRIIZCD-CTWPCTMYSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001114487804 1287357857 /nfs/dbraw/zinc/35/78/57/1287357857.db2.gz BLFRMFYQBSGNJQ-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001114487804 1287357862 /nfs/dbraw/zinc/35/78/62/1287357862.db2.gz BLFRMFYQBSGNJQ-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001114488181 1287363915 /nfs/dbraw/zinc/36/39/15/1287363915.db2.gz IJKGTKMHJOUOSA-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001114488181 1287363920 /nfs/dbraw/zinc/36/39/20/1287363920.db2.gz IJKGTKMHJOUOSA-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO CC[C@@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C)OC ZINC001175295354 1287376723 /nfs/dbraw/zinc/37/67/23/1287376723.db2.gz FMQRCLOVRUIFSV-SJORKVTESA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175296469 1287378445 /nfs/dbraw/zinc/37/84/45/1287378445.db2.gz PPTKSAGJWIQDHK-CVEARBPZSA-N 1 3 331.520 2.977 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CCC[C@@H]1C ZINC001175255162 1287379940 /nfs/dbraw/zinc/37/99/40/1287379940.db2.gz DDBQTSNXPPNIGJ-SJORKVTESA-N 1 3 329.504 2.875 20 0 EFADHO COCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256205 1287380206 /nfs/dbraw/zinc/38/02/06/1287380206.db2.gz IWAIFFKZKQZEKR-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CCC[C@@H]1C ZINC001175257005 1287381310 /nfs/dbraw/zinc/38/13/10/1287381310.db2.gz RSWDVSSKSCMURS-MOPGFXCFSA-N 1 3 345.531 2.978 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CCC[C@@H]1C ZINC001175257006 1287381353 /nfs/dbraw/zinc/38/13/53/1287381353.db2.gz RSWDVSSKSCMURS-OALUTQOASA-N 1 3 345.531 2.978 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CCC[C@H]1C ZINC001175257007 1287381363 /nfs/dbraw/zinc/38/13/63/1287381363.db2.gz RSWDVSSKSCMURS-RBUKOAKNSA-N 1 3 345.531 2.978 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CCC[C@H]1C ZINC001175256884 1287381514 /nfs/dbraw/zinc/38/15/14/1287381514.db2.gz PULXJOMHSREPMZ-ZIAGYGMSSA-N 1 3 337.430 2.688 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262147 1287384011 /nfs/dbraw/zinc/38/40/11/1287384011.db2.gz CBOUCFRQEAXYDI-MOPGFXCFSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CC[C@H](C)C1 ZINC001175263021 1287384203 /nfs/dbraw/zinc/38/42/03/1287384203.db2.gz NEJWMAYLUFDVRI-UONOGXRCSA-N 1 3 337.430 2.545 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001175265053 1287385041 /nfs/dbraw/zinc/38/50/41/1287385041.db2.gz XDAAXABLPMSWIL-IRXDYDNUSA-N 1 3 349.494 2.932 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001175315370 1287398055 /nfs/dbraw/zinc/39/80/55/1287398055.db2.gz FJDWOOAGRPBKQK-YJBOKZPZSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001175314922 1287398220 /nfs/dbraw/zinc/39/82/20/1287398220.db2.gz CJHIHKBSZOCYLR-CJNGLKHVSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001175318140 1287400134 /nfs/dbraw/zinc/40/01/34/1287400134.db2.gz WIPPLEUCVVRWTN-ZFWWWQNUSA-N 1 3 333.467 2.637 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(Cl)s1 ZINC001129418952 1280182849 /nfs/dbraw/zinc/18/28/49/1280182849.db2.gz YVYQNPLHASPOCD-CYBMUJFWSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1ccc(Cl)s1 ZINC001129418952 1280182853 /nfs/dbraw/zinc/18/28/53/1280182853.db2.gz YVYQNPLHASPOCD-CYBMUJFWSA-N 1 3 343.924 2.870 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc2ccccc2c1 ZINC001129454976 1280194844 /nfs/dbraw/zinc/19/48/44/1280194844.db2.gz QNRMGGAZMHNADO-QRWLVFNGSA-N 1 3 339.483 2.947 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129437031 1280199786 /nfs/dbraw/zinc/19/97/86/1280199786.db2.gz UXIGYVSVWJDSGU-FQEVSTJZSA-N 1 3 339.483 2.694 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129443097 1280200988 /nfs/dbraw/zinc/20/09/88/1280200988.db2.gz ICERHUNKJYCYFD-DLBZAZTESA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091267493 1280236048 /nfs/dbraw/zinc/23/60/48/1280236048.db2.gz NICITDPJHAQJCH-SOAGJPPSSA-N 1 3 343.515 2.934 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235644 1280286223 /nfs/dbraw/zinc/28/62/23/1280286223.db2.gz IBKIPLZPKCWMBT-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001171238272 1280332497 /nfs/dbraw/zinc/33/24/97/1280332497.db2.gz TVOROJJPZHFVEP-QGZVFWFLSA-N 1 3 331.504 2.936 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238651 1280335575 /nfs/dbraw/zinc/33/55/75/1280335575.db2.gz XJUBVWYXRWFJCQ-KRWDZBQOSA-N 1 3 341.540 2.550 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949720 1280378552 /nfs/dbraw/zinc/37/85/52/1280378552.db2.gz HWYWUQAMBDQMIL-IBGZPJMESA-N 1 3 349.519 2.611 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001129953877 1280378950 /nfs/dbraw/zinc/37/89/50/1280378950.db2.gz SLHYVTYFSPBCLR-WBMJQRKESA-N 1 3 343.874 2.832 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001129947033 1280381614 /nfs/dbraw/zinc/38/16/14/1280381614.db2.gz GPXQWOUBZYYZEX-KRWDZBQOSA-N 1 3 333.501 2.693 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091364279 1280408275 /nfs/dbraw/zinc/40/82/75/1280408275.db2.gz BOEFCYLKFWLHBC-HWOWSKLDSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001091364279 1280408283 /nfs/dbraw/zinc/40/82/83/1280408283.db2.gz BOEFCYLKFWLHBC-HWOWSKLDSA-N 1 3 349.906 2.585 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248052 1280439224 /nfs/dbraw/zinc/43/92/24/1280439224.db2.gz QHYXQDKWPILGNW-XJKSGUPXSA-N 1 3 345.478 2.637 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)N(C)C ZINC001130203671 1280572406 /nfs/dbraw/zinc/57/24/06/1280572406.db2.gz SPXHSBWNQYVUMI-LJQANCHMSA-N 1 3 331.504 2.890 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@@H](CC)c1ccc(Cl)cc1)N(C)C ZINC001130204793 1280574004 /nfs/dbraw/zinc/57/40/04/1280574004.db2.gz ACRYYANPKUSOEW-JKSUJKDBSA-N 1 3 325.884 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001130425373 1280857709 /nfs/dbraw/zinc/85/77/09/1280857709.db2.gz WNCLUPHROQCFSY-SREVYHEPSA-N 1 3 337.895 2.789 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCOc1c(C)cccc1C ZINC001130427279 1280863365 /nfs/dbraw/zinc/86/33/65/1280863365.db2.gz KXAXZJFUBQFZBP-UHFFFAOYSA-N 1 3 349.519 2.508 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001146592330 1280944891 /nfs/dbraw/zinc/94/48/91/1280944891.db2.gz JPCMREBIZBHQDJ-ZIAGYGMSSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001146600053 1280947134 /nfs/dbraw/zinc/94/71/34/1280947134.db2.gz FBUAUZIEPSLPTN-ROUUACIJSA-N 1 3 333.520 2.832 20 0 EFADHO C[C@@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1F ZINC001130556525 1281010805 /nfs/dbraw/zinc/01/08/05/1281010805.db2.gz LQNRTKSPSRAZIS-OAHLLOKOSA-N 1 3 344.434 2.514 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000872203255 1287474344 /nfs/dbraw/zinc/47/43/44/1287474344.db2.gz ZPMXCKOORLWSAE-OWCLPIDISA-N 1 3 341.293 2.945 20 0 EFADHO O=C(NCC[NH2+]Cc1cc(F)ccc1Cl)c1ccn2cncc2c1 ZINC001130867560 1281246754 /nfs/dbraw/zinc/24/67/54/1281246754.db2.gz KCZBMIKHRFWRLS-UHFFFAOYSA-N 1 3 346.793 2.646 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747263 1281263365 /nfs/dbraw/zinc/26/33/65/1281263365.db2.gz DUHUAOPVVUISJL-MSOLQXFVSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147747263 1281263373 /nfs/dbraw/zinc/26/33/73/1281263373.db2.gz DUHUAOPVVUISJL-MSOLQXFVSA-N 1 3 337.552 2.789 20 0 EFADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175573637 1287490380 /nfs/dbraw/zinc/49/03/80/1287490380.db2.gz PTLWNGLZKDTMKB-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001147826300 1281305259 /nfs/dbraw/zinc/30/52/59/1281305259.db2.gz VCDVFVWMQSHEAS-NVXWUHKLSA-N 1 3 337.895 2.666 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147836073 1281311876 /nfs/dbraw/zinc/31/18/76/1281311876.db2.gz PPCBSJXWISOGHN-MDZDMXLPSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147836073 1281311885 /nfs/dbraw/zinc/31/18/85/1281311885.db2.gz PPCBSJXWISOGHN-MDZDMXLPSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666774 1281317690 /nfs/dbraw/zinc/31/76/90/1281317690.db2.gz FOPVYMQEJWLZKK-GGPKGHCWSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666774 1281317705 /nfs/dbraw/zinc/31/77/05/1281317705.db2.gz FOPVYMQEJWLZKK-GGPKGHCWSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091667422 1281320011 /nfs/dbraw/zinc/32/00/11/1281320011.db2.gz SSMMRQLRUAJLGA-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1 ZINC001091667422 1281320021 /nfs/dbraw/zinc/32/00/21/1281320021.db2.gz SSMMRQLRUAJLGA-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900212 1281351907 /nfs/dbraw/zinc/35/19/07/1281351907.db2.gz JZUBMCDJYVXSJO-CHWSQXEVSA-N 1 3 341.858 2.588 20 0 EFADHO C[C@@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900212 1281351916 /nfs/dbraw/zinc/35/19/16/1281351916.db2.gz JZUBMCDJYVXSJO-CHWSQXEVSA-N 1 3 341.858 2.588 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCC1 ZINC001091672045 1281393860 /nfs/dbraw/zinc/39/38/60/1281393860.db2.gz DJPOKNRVPBYSTO-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCC1 ZINC001091672045 1281393873 /nfs/dbraw/zinc/39/38/73/1281393873.db2.gz DJPOKNRVPBYSTO-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226375 1281461863 /nfs/dbraw/zinc/46/18/63/1281461863.db2.gz DUHUAOPVVUISJL-QZTJIDSGSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226375 1281461869 /nfs/dbraw/zinc/46/18/69/1281461869.db2.gz DUHUAOPVVUISJL-QZTJIDSGSA-N 1 3 337.552 2.789 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148276938 1281490422 /nfs/dbraw/zinc/49/04/22/1281490422.db2.gz AMOCDEMQWQBIMV-QWNKOJSDSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148276938 1281490429 /nfs/dbraw/zinc/49/04/29/1281490429.db2.gz AMOCDEMQWQBIMV-QWNKOJSDSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148284809 1281493609 /nfs/dbraw/zinc/49/36/09/1281493609.db2.gz FLKSFYFOVJKQPL-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148284809 1281493610 /nfs/dbraw/zinc/49/36/10/1281493610.db2.gz FLKSFYFOVJKQPL-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2)[NH+](CC)CC ZINC001148285458 1281494532 /nfs/dbraw/zinc/49/45/32/1281494532.db2.gz SHLRZJDIPPRNDB-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000872252673 1287503276 /nfs/dbraw/zinc/50/32/76/1287503276.db2.gz VIWGBTMWJDVQEI-QHAWAJNXSA-N 1 3 342.483 2.581 20 0 EFADHO CC[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000872252673 1287503279 /nfs/dbraw/zinc/50/32/79/1287503279.db2.gz VIWGBTMWJDVQEI-QHAWAJNXSA-N 1 3 342.483 2.581 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2)CC(C)(C)C ZINC001148315162 1281513944 /nfs/dbraw/zinc/51/39/44/1281513944.db2.gz DUBPLZAEWGWWEX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2)CC(C)(C)C ZINC001148315162 1281513954 /nfs/dbraw/zinc/51/39/54/1281513954.db2.gz DUBPLZAEWGWWEX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001148315577 1281515153 /nfs/dbraw/zinc/51/51/53/1281515153.db2.gz PKMWHWQJJCCATK-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2)CC(C)(C)C ZINC001148315577 1281515159 /nfs/dbraw/zinc/51/51/59/1281515159.db2.gz PKMWHWQJJCCATK-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C/C=C\c1ccccc1)C2 ZINC001148462625 1281561477 /nfs/dbraw/zinc/56/14/77/1281561477.db2.gz IZYONJMAIVKQCA-FLIBITNWSA-N 1 3 341.499 2.576 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C\c1ccccc1)C2 ZINC001148462625 1281561488 /nfs/dbraw/zinc/56/14/88/1281561488.db2.gz IZYONJMAIVKQCA-FLIBITNWSA-N 1 3 341.499 2.576 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1cccc(C)c1)C2 ZINC001148469849 1281565210 /nfs/dbraw/zinc/56/52/10/1281565210.db2.gz XSRQRPIAKBMDPW-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1cccc(C)c1)C2 ZINC001148469849 1281565219 /nfs/dbraw/zinc/56/52/19/1281565219.db2.gz XSRQRPIAKBMDPW-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)cc(C)c1)C2 ZINC001148647029 1281671067 /nfs/dbraw/zinc/67/10/67/1281671067.db2.gz LDCWYVHVYPKXLR-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC001148647029 1281671078 /nfs/dbraw/zinc/67/10/78/1281671078.db2.gz LDCWYVHVYPKXLR-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001148647337 1281671909 /nfs/dbraw/zinc/67/19/09/1281671909.db2.gz SKROZQUXLWSOQK-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001148647337 1281671917 /nfs/dbraw/zinc/67/19/17/1281671917.db2.gz SKROZQUXLWSOQK-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1ccc(NC(=N)N)cc1 ZINC001148652364 1281676110 /nfs/dbraw/zinc/67/61/10/1281676110.db2.gz RUTJMOXLHFUZEH-INIZCTEOSA-N 1 3 337.427 2.741 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737708 1281686342 /nfs/dbraw/zinc/68/63/42/1281686342.db2.gz IBGOGNWQOLBTAC-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737708 1281686351 /nfs/dbraw/zinc/68/63/51/1281686351.db2.gz IBGOGNWQOLBTAC-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737707 1281687259 /nfs/dbraw/zinc/68/72/59/1281687259.db2.gz IBGOGNWQOLBTAC-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737707 1281687266 /nfs/dbraw/zinc/68/72/66/1281687266.db2.gz IBGOGNWQOLBTAC-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740753 1281695301 /nfs/dbraw/zinc/69/53/01/1281695301.db2.gz GNVDQEDBKDLBPZ-APWZRJJASA-N 1 3 347.528 2.513 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1)C1CCC1 ZINC001091740753 1281695308 /nfs/dbraw/zinc/69/53/08/1281695308.db2.gz GNVDQEDBKDLBPZ-APWZRJJASA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279913 1287519224 /nfs/dbraw/zinc/51/92/24/1287519224.db2.gz MOUNPEMKJYJMCH-KANFNMMFSA-N 1 3 329.488 2.846 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001091743212 1281727774 /nfs/dbraw/zinc/72/77/74/1281727774.db2.gz LSNZZLMNZZOQIQ-UZLBHIALSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CCC1 ZINC001091743212 1281727784 /nfs/dbraw/zinc/72/77/84/1281727784.db2.gz LSNZZLMNZZOQIQ-UZLBHIALSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148833816 1281760558 /nfs/dbraw/zinc/76/05/58/1281760558.db2.gz LSJIYIWWWBNNJO-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001148833816 1281760561 /nfs/dbraw/zinc/76/05/61/1281760561.db2.gz LSJIYIWWWBNNJO-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834222 1281760700 /nfs/dbraw/zinc/76/07/00/1281760700.db2.gz YKWUXWADYHSOOE-XFHJGTJQSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834222 1281760703 /nfs/dbraw/zinc/76/07/03/1281760703.db2.gz YKWUXWADYHSOOE-XFHJGTJQSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839531 1281780884 /nfs/dbraw/zinc/78/08/84/1281780884.db2.gz QEHWULXFZVCOEH-SFHVURJKSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839531 1281780891 /nfs/dbraw/zinc/78/08/91/1281780891.db2.gz QEHWULXFZVCOEH-SFHVURJKSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839952 1281780934 /nfs/dbraw/zinc/78/09/34/1281780934.db2.gz VWNIPVVUMLJMQJ-UHFFFAOYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148839952 1281780942 /nfs/dbraw/zinc/78/09/42/1281780942.db2.gz VWNIPVVUMLJMQJ-UHFFFAOYSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001148845180 1281781867 /nfs/dbraw/zinc/78/18/67/1281781867.db2.gz XLTVMZVIDNFYSI-KRWDZBQOSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001148845180 1281781877 /nfs/dbraw/zinc/78/18/77/1281781877.db2.gz XLTVMZVIDNFYSI-KRWDZBQOSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758304 1281793463 /nfs/dbraw/zinc/79/34/63/1281793463.db2.gz ADRNYYGFRXNIOQ-DYXWJJEUSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758304 1281793472 /nfs/dbraw/zinc/79/34/72/1281793472.db2.gz ADRNYYGFRXNIOQ-DYXWJJEUSA-N 1 3 347.547 2.853 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872295841 1287527153 /nfs/dbraw/zinc/52/71/53/1287527153.db2.gz JPJSSXRMPNTUMU-LZQZEXGQSA-N 1 3 344.503 2.631 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@H](C)COC ZINC001175740020 1287534157 /nfs/dbraw/zinc/53/41/57/1287534157.db2.gz QRFWSEXXGAABOC-QZTJIDSGSA-N 1 3 343.556 2.798 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562008 1281915249 /nfs/dbraw/zinc/91/52/49/1281915249.db2.gz WAIVIBXSHLHGGZ-SFHLNBCPSA-N 1 3 342.483 2.926 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562008 1281915256 /nfs/dbraw/zinc/91/52/56/1281915256.db2.gz WAIVIBXSHLHGGZ-SFHLNBCPSA-N 1 3 342.483 2.926 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086927263 1281949321 /nfs/dbraw/zinc/94/93/21/1281949321.db2.gz XRVPAACPFFLULT-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941324 1281969993 /nfs/dbraw/zinc/96/99/93/1281969993.db2.gz QNQDQPKNLXDOTI-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942136 1281971598 /nfs/dbraw/zinc/97/15/98/1281971598.db2.gz JWHIADKXFQRFBL-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C[C@@H]2C)CC[NH+](CCC2CC2)CC3)C1 ZINC001086942636 1281973163 /nfs/dbraw/zinc/97/31/63/1281973163.db2.gz XDKWNWUOCGEKSZ-ROUUACIJSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCCC3)C2)CC1 ZINC001086957555 1282030331 /nfs/dbraw/zinc/03/03/31/1282030331.db2.gz QQXDTQFIARCAKO-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171360476 1282051472 /nfs/dbraw/zinc/05/14/72/1282051472.db2.gz ZPQGSDLNGCIBGW-MSOLQXFVSA-N 1 3 343.556 2.654 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001175768115 1287546574 /nfs/dbraw/zinc/54/65/74/1287546574.db2.gz KJBRJFJTRYZQRQ-SFHVURJKSA-N 1 3 333.520 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCCCCF)N(C)C ZINC001171366646 1282104275 /nfs/dbraw/zinc/10/42/75/1282104275.db2.gz BJXXHQDCPKOUCC-SJORKVTESA-N 1 3 331.520 2.977 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCC(C)C ZINC001175785885 1287551516 /nfs/dbraw/zinc/55/15/16/1287551516.db2.gz GFEPOBYTSRVLAM-GOSISDBHSA-N 1 3 343.556 2.656 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ns1 ZINC001175786758 1287551755 /nfs/dbraw/zinc/55/17/55/1287551755.db2.gz PENOLTXCONVKMH-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(C2OCCO2)s1 ZINC000809606182 1282311249 /nfs/dbraw/zinc/31/12/49/1282311249.db2.gz NKORACMBBTVTMZ-CQSZACIVSA-N 1 3 339.505 2.933 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(C2OCCO2)s1 ZINC000809606182 1282311255 /nfs/dbraw/zinc/31/12/55/1282311255.db2.gz NKORACMBBTVTMZ-CQSZACIVSA-N 1 3 339.505 2.933 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605789 1282313405 /nfs/dbraw/zinc/31/34/05/1282313405.db2.gz IUOWIAWHBLDVJN-RYTJFDOTSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605789 1282313408 /nfs/dbraw/zinc/31/34/08/1282313408.db2.gz IUOWIAWHBLDVJN-RYTJFDOTSA-N 1 3 339.524 3.000 20 0 EFADHO c1nc(C2OCCO2)sc1CNCCCCC[NH+]1CCCCC1 ZINC000809613878 1282318551 /nfs/dbraw/zinc/31/85/51/1282318551.db2.gz GICGVSKWFMCJLO-UHFFFAOYSA-N 1 3 339.505 2.934 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013174 1282338750 /nfs/dbraw/zinc/33/87/50/1282338750.db2.gz KUOGIQOYMMWZMQ-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013174 1282338761 /nfs/dbraw/zinc/33/87/61/1282338761.db2.gz KUOGIQOYMMWZMQ-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H](CC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000809638620 1282353090 /nfs/dbraw/zinc/35/30/90/1282353090.db2.gz MIJNOLCQBIFDNJ-QQFBHYJXSA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092070837 1282367899 /nfs/dbraw/zinc/36/78/99/1282367899.db2.gz AHHPTSSPWZAZOH-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1 ZINC001092070837 1282367903 /nfs/dbraw/zinc/36/79/03/1282367903.db2.gz AHHPTSSPWZAZOH-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092071373 1282368730 /nfs/dbraw/zinc/36/87/30/1282368730.db2.gz SZDSBZJZBRUXTD-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092071373 1282368740 /nfs/dbraw/zinc/36/87/40/1282368740.db2.gz SZDSBZJZBRUXTD-SBHAEUEKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071408 1282368918 /nfs/dbraw/zinc/36/89/18/1282368918.db2.gz UXMWBERNPADXRX-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071408 1282368930 /nfs/dbraw/zinc/36/89/30/1282368930.db2.gz UXMWBERNPADXRX-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071319 1282369410 /nfs/dbraw/zinc/36/94/10/1282369410.db2.gz QKDWEPJTFGQRHR-NSHGMRRFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071319 1282369415 /nfs/dbraw/zinc/36/94/15/1282369415.db2.gz QKDWEPJTFGQRHR-NSHGMRRFSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(CNCCNC(=O)CC2([NH+](C)C)CCCC2)cc1F ZINC001131840666 1282410515 /nfs/dbraw/zinc/41/05/15/1282410515.db2.gz SENWMXXVIMGQKK-UHFFFAOYSA-N 1 3 335.467 2.604 20 0 EFADHO CC(C)c1ncc(CN(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000809741693 1282439156 /nfs/dbraw/zinc/43/91/56/1282439156.db2.gz SPHSWPIBLIJYHC-MRXNPFEDSA-N 1 3 336.549 2.867 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140205 1283035166 /nfs/dbraw/zinc/03/51/66/1283035166.db2.gz GLEYNFDUOUDSDH-QZTJIDSGSA-N 1 3 344.503 2.843 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCCCF ZINC001132150656 1283046333 /nfs/dbraw/zinc/04/63/33/1283046333.db2.gz UWEOERKBWBPXEZ-DLBZAZTESA-N 1 3 339.499 2.724 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)C1 ZINC001092906927 1283112160 /nfs/dbraw/zinc/11/21/60/1283112160.db2.gz MIMICGXMJOJBRF-JKTKEZCCSA-N 1 3 341.927 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C/C=C\Cl)C[C@H]2C)C1 ZINC001092906927 1283112168 /nfs/dbraw/zinc/11/21/68/1283112168.db2.gz MIMICGXMJOJBRF-JKTKEZCCSA-N 1 3 341.927 2.545 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCCCF ZINC001132214206 1283142426 /nfs/dbraw/zinc/14/24/26/1283142426.db2.gz CZTJSAHTYKTGGD-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCCCF ZINC001132214206 1283142430 /nfs/dbraw/zinc/14/24/30/1283142430.db2.gz CZTJSAHTYKTGGD-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001093025113 1283166346 /nfs/dbraw/zinc/16/63/46/1283166346.db2.gz QURMYHYXWYAGOY-IXRRTHQVSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001093025113 1283166351 /nfs/dbraw/zinc/16/63/51/1283166351.db2.gz QURMYHYXWYAGOY-IXRRTHQVSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001093025113 1283166353 /nfs/dbraw/zinc/16/63/53/1283166353.db2.gz QURMYHYXWYAGOY-IXRRTHQVSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001093025113 1283166354 /nfs/dbraw/zinc/16/63/54/1283166354.db2.gz QURMYHYXWYAGOY-IXRRTHQVSA-N 1 3 341.927 2.686 20 0 EFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056959 1283191141 /nfs/dbraw/zinc/19/11/41/1283191141.db2.gz XOIXINFXRYRDJD-ZRPGBGELSA-N 1 3 349.906 2.798 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132265559 1283219280 /nfs/dbraw/zinc/21/92/80/1283219280.db2.gz OKRGATKOZLCZCQ-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132270679 1283226587 /nfs/dbraw/zinc/22/65/87/1283226587.db2.gz VBXBLQNWVDUYHK-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280411 1283233169 /nfs/dbraw/zinc/23/31/69/1283233169.db2.gz IELUCTCBJBCPFG-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132278920 1283250868 /nfs/dbraw/zinc/25/08/68/1283250868.db2.gz STFRVPULCBZJES-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735356 1283309524 /nfs/dbraw/zinc/30/95/24/1283309524.db2.gz IKLVCRXNWSNJSH-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735356 1283309532 /nfs/dbraw/zinc/30/95/32/1283309532.db2.gz IKLVCRXNWSNJSH-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735358 1283309826 /nfs/dbraw/zinc/30/98/26/1283309826.db2.gz IKLVCRXNWSNJSH-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735358 1283309837 /nfs/dbraw/zinc/30/98/37/1283309837.db2.gz IKLVCRXNWSNJSH-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735429 1283310781 /nfs/dbraw/zinc/31/07/81/1283310781.db2.gz JNQIHJPOPHDZBL-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735429 1283310791 /nfs/dbraw/zinc/31/07/91/1283310791.db2.gz JNQIHJPOPHDZBL-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735661 1283312772 /nfs/dbraw/zinc/31/27/72/1283312772.db2.gz OIZOTHPEXDRGDP-RBUKOAKNSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735661 1283312779 /nfs/dbraw/zinc/31/27/79/1283312779.db2.gz OIZOTHPEXDRGDP-RBUKOAKNSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736473 1283315373 /nfs/dbraw/zinc/31/53/73/1283315373.db2.gz AFSUQVFFOSPGKB-QUCCMNQESA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736473 1283315380 /nfs/dbraw/zinc/31/53/80/1283315380.db2.gz AFSUQVFFOSPGKB-QUCCMNQESA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736771 1283319451 /nfs/dbraw/zinc/31/94/51/1283319451.db2.gz GQCQTLRPXVDRML-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736771 1283319462 /nfs/dbraw/zinc/31/94/62/1283319462.db2.gz GQCQTLRPXVDRML-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CN1CCC(C)(C)C1 ZINC001135475883 1288046333 /nfs/dbraw/zinc/04/63/33/1288046333.db2.gz GNWMZVDZVQXXMX-HOTGVXAUSA-N 1 3 329.504 2.731 20 0 EFADHO Cc1cc(N(CC(C)(C)[NH3+])S(=O)(=O)c2ccccc2)cc(C)n1 ZINC001170610072 1283373376 /nfs/dbraw/zinc/37/33/76/1283373376.db2.gz PZCCPUCQOIGULD-UHFFFAOYSA-N 1 3 333.457 2.631 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[C@H](C)N(CCOC)C1 ZINC001132419852 1283513727 /nfs/dbraw/zinc/51/37/27/1283513727.db2.gz JCXPUKJHCJANJJ-ROUUACIJSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410810 1283529683 /nfs/dbraw/zinc/52/96/83/1283529683.db2.gz OMFQIYDXDDGKGC-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410810 1283529691 /nfs/dbraw/zinc/52/96/91/1283529691.db2.gz OMFQIYDXDDGKGC-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCCF ZINC001158625367 1283564297 /nfs/dbraw/zinc/56/42/97/1283564297.db2.gz PWDSDGKXCBGRRL-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001158625367 1283564303 /nfs/dbraw/zinc/56/43/03/1283564303.db2.gz PWDSDGKXCBGRRL-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132437947 1283579035 /nfs/dbraw/zinc/57/90/35/1283579035.db2.gz ZIFSWWLTLPEMLR-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1csc(C)n1 ZINC001176023910 1287660777 /nfs/dbraw/zinc/66/07/77/1287660777.db2.gz LNNLLLONOBTKFY-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1csc(C)n1 ZINC001176023910 1287660789 /nfs/dbraw/zinc/66/07/89/1287660789.db2.gz LNNLLLONOBTKFY-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093362674 1283785908 /nfs/dbraw/zinc/78/59/08/1283785908.db2.gz VRVMLKLKFDHQQL-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093362674 1283785918 /nfs/dbraw/zinc/78/59/18/1283785918.db2.gz VRVMLKLKFDHQQL-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093371729 1283808031 /nfs/dbraw/zinc/80/80/31/1283808031.db2.gz UBJPNOUWQMGGKR-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093371729 1283808043 /nfs/dbraw/zinc/80/80/43/1283808043.db2.gz UBJPNOUWQMGGKR-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093371730 1283808724 /nfs/dbraw/zinc/80/87/24/1283808724.db2.gz UBJPNOUWQMGGKR-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093371730 1283808735 /nfs/dbraw/zinc/80/87/35/1283808735.db2.gz UBJPNOUWQMGGKR-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093372456 1283812076 /nfs/dbraw/zinc/81/20/76/1283812076.db2.gz DKTIRKQSSINVJV-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093372456 1283812086 /nfs/dbraw/zinc/81/20/86/1283812086.db2.gz DKTIRKQSSINVJV-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372181 1283812376 /nfs/dbraw/zinc/81/23/76/1283812376.db2.gz YSQUYCMMOWNTGZ-HXUWFJFHSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372181 1283812389 /nfs/dbraw/zinc/81/23/89/1283812389.db2.gz YSQUYCMMOWNTGZ-HXUWFJFHSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093373060 1283814698 /nfs/dbraw/zinc/81/46/98/1283814698.db2.gz IRAQBPOOOQPAFI-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093373060 1283814702 /nfs/dbraw/zinc/81/47/02/1283814702.db2.gz IRAQBPOOOQPAFI-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384353 1283860318 /nfs/dbraw/zinc/86/03/18/1283860318.db2.gz XEJVKVMXLOKOGY-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384353 1283860328 /nfs/dbraw/zinc/86/03/28/1283860328.db2.gz XEJVKVMXLOKOGY-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)C1 ZINC001036820659 1284058842 /nfs/dbraw/zinc/05/88/42/1284058842.db2.gz MRGWDLDUVJPECU-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)C1 ZINC001036820659 1284058846 /nfs/dbraw/zinc/05/88/46/1284058846.db2.gz MRGWDLDUVJPECU-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001132737496 1284205149 /nfs/dbraw/zinc/20/51/49/1284205149.db2.gz NNULZFHNDQYOQT-ZDUSSCGKSA-N 1 3 343.924 2.729 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001132737496 1284205161 /nfs/dbraw/zinc/20/51/61/1284205161.db2.gz NNULZFHNDQYOQT-ZDUSSCGKSA-N 1 3 343.924 2.729 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)CC1 ZINC001036852799 1284325431 /nfs/dbraw/zinc/32/54/31/1284325431.db2.gz JVOVUWCRQULTGZ-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)CC1 ZINC001036852799 1284325439 /nfs/dbraw/zinc/32/54/39/1284325439.db2.gz JVOVUWCRQULTGZ-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176760487 1288123869 /nfs/dbraw/zinc/12/38/69/1288123869.db2.gz YMYKVBKYYVHBKH-GOSISDBHSA-N 1 3 343.556 2.654 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCCCF ZINC001132892340 1284427249 /nfs/dbraw/zinc/42/72/49/1284427249.db2.gz DPUHEQRBJNSHHV-DLBZAZTESA-N 1 3 341.515 2.685 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892260 1284427386 /nfs/dbraw/zinc/42/73/86/1284427386.db2.gz CWXLKCVLPKQHOZ-PLQXZHKYSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001132936271 1284465338 /nfs/dbraw/zinc/46/53/38/1284465338.db2.gz AYOWPEPUODWXLX-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001132938510 1284491134 /nfs/dbraw/zinc/49/11/34/1284491134.db2.gz VATRFBIPERUDEB-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)C)C1 ZINC001132938511 1284491432 /nfs/dbraw/zinc/49/14/32/1284491432.db2.gz VATRFBIPERUDEB-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CCCCCC1 ZINC001093824539 1284543525 /nfs/dbraw/zinc/54/35/25/1284543525.db2.gz ZWKRWPXCHXJURA-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824192 1284543672 /nfs/dbraw/zinc/54/36/72/1284543672.db2.gz JXMUTQUTKIXSMY-NSISKUIASA-N 1 3 343.515 2.519 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001093839304 1284555317 /nfs/dbraw/zinc/55/53/17/1284555317.db2.gz JJRBODYHSOYYSK-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001093857540 1284572401 /nfs/dbraw/zinc/57/24/01/1284572401.db2.gz KIBWVHYVNKODNX-NSISKUIASA-N 1 3 345.531 2.773 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1)N(C)C ZINC001093858554 1284573960 /nfs/dbraw/zinc/57/39/60/1284573960.db2.gz BDEVXFQHKNLCAT-MISYRCLQSA-N 1 3 345.531 2.828 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC1 ZINC001132995153 1284614671 /nfs/dbraw/zinc/61/46/71/1284614671.db2.gz MXEXTDPICHQAQU-UHFFFAOYSA-N 1 3 344.286 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)N(C)C ZINC001094020803 1284713386 /nfs/dbraw/zinc/71/33/86/1284713386.db2.gz CNANYOGSQLGJGR-BHIYHBOVSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001094040753 1284728344 /nfs/dbraw/zinc/72/83/44/1284728344.db2.gz OBMJNJXPPNEGFL-ZIFCJYIRSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001094042089 1284730387 /nfs/dbraw/zinc/73/03/87/1284730387.db2.gz JEEOZEDKIXROMU-ILZDJORESA-N 1 3 343.515 2.521 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001094075015 1284759137 /nfs/dbraw/zinc/75/91/37/1284759137.db2.gz VBNWMQLVSHEABM-IXDOHACOSA-N 1 3 340.471 2.706 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120930 1284830203 /nfs/dbraw/zinc/83/02/03/1284830203.db2.gz CLDHSZKXKSYEOD-MSOLQXFVSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]C/C=C/Cl ZINC001133122014 1284831304 /nfs/dbraw/zinc/83/13/04/1284831304.db2.gz NNLQFVHYRQIXCP-DODUIYEKSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001133135690 1284850428 /nfs/dbraw/zinc/85/04/28/1284850428.db2.gz VMPINEDNRHSLRE-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133176674 1284933059 /nfs/dbraw/zinc/93/30/59/1284933059.db2.gz AIJRMPKHOHGFSA-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133177765 1284935708 /nfs/dbraw/zinc/93/57/08/1284935708.db2.gz HHJSZTLKLAMCCA-WBVHZDCISA-N 1 3 337.533 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133178284 1284937191 /nfs/dbraw/zinc/93/71/91/1284937191.db2.gz NVQPRZVKYFZIFL-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001133186185 1284952586 /nfs/dbraw/zinc/95/25/86/1284952586.db2.gz PMHICQUFKRHIHU-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC)C1 ZINC001133185618 1284952676 /nfs/dbraw/zinc/95/26/76/1284952676.db2.gz GLKPZSGYJYIXNW-ZWKOTPCHSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133190270 1284965838 /nfs/dbraw/zinc/96/58/38/1284965838.db2.gz GARHIJBCXGAMHM-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133194207 1284971550 /nfs/dbraw/zinc/97/15/50/1284971550.db2.gz AJFWNXIRTTWIBA-MJGOQNOKSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413990 1285039357 /nfs/dbraw/zinc/03/93/57/1285039357.db2.gz ODAOVNUEYLJTMK-QWFCFKBJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413990 1285039365 /nfs/dbraw/zinc/03/93/65/1285039365.db2.gz ODAOVNUEYLJTMK-QWFCFKBJSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133274057 1285112079 /nfs/dbraw/zinc/11/20/79/1285112079.db2.gz APQGUBARILFKLH-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133274058 1285113677 /nfs/dbraw/zinc/11/36/77/1285113677.db2.gz APQGUBARILFKLH-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133274127 1285113851 /nfs/dbraw/zinc/11/38/51/1285113851.db2.gz BMXTUCMETYZRCE-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCCF ZINC001133337369 1285215717 /nfs/dbraw/zinc/21/57/17/1285215717.db2.gz MTNBSLURQXRFRU-VQIMIIECSA-N 1 3 349.494 2.796 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345485 1285227161 /nfs/dbraw/zinc/22/71/61/1285227161.db2.gz CREBQIDJKYWFCA-ZWKOTPCHSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345542 1285227259 /nfs/dbraw/zinc/22/72/59/1285227259.db2.gz DNOPRESVPGXNTB-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133345601 1285227560 /nfs/dbraw/zinc/22/75/60/1285227560.db2.gz FGIDTNPPJHTGFW-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345545 1285228062 /nfs/dbraw/zinc/22/80/62/1285228062.db2.gz DNOPRESVPGXNTB-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133346132 1285228588 /nfs/dbraw/zinc/22/85/88/1285228588.db2.gz JVOBIPICYFETLZ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133347421 1285234674 /nfs/dbraw/zinc/23/46/74/1285234674.db2.gz XHKGYIGRGBDXKD-DOTOQJQBSA-N 1 3 337.533 2.663 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](CC)N(C)C ZINC001133399880 1285323345 /nfs/dbraw/zinc/32/33/45/1285323345.db2.gz XUHCIFGWDZDOLH-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)C[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405858 1285360011 /nfs/dbraw/zinc/36/00/11/1285360011.db2.gz UMBNIMBLEAQONW-UHFFFAOYSA-N 1 3 348.878 2.880 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C(C)C)N(C)C ZINC001133399933 1285360568 /nfs/dbraw/zinc/36/05/68/1285360568.db2.gz ZVCHSJQUONUNCW-KRWDZBQOSA-N 1 3 339.911 2.864 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CC2)C1 ZINC001036901959 1285380937 /nfs/dbraw/zinc/38/09/37/1285380937.db2.gz BLDUJSJWPAFCQK-AZUAARDMSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)C1 ZINC001036901959 1285380947 /nfs/dbraw/zinc/38/09/47/1285380947.db2.gz BLDUJSJWPAFCQK-AZUAARDMSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCCNCc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC001133419964 1285381870 /nfs/dbraw/zinc/38/18/70/1285381870.db2.gz ZLYKCSWGPLLVHS-OAHLLOKOSA-N 1 3 346.302 2.785 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCF)C1 ZINC001036902344 1285382828 /nfs/dbraw/zinc/38/28/28/1285382828.db2.gz JHZJXCISSFJOGR-IEBWSBKVSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCF)C1 ZINC001036902344 1285382836 /nfs/dbraw/zinc/38/28/36/1285382836.db2.gz JHZJXCISSFJOGR-IEBWSBKVSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CC3)C2)c1 ZINC001036903052 1285384741 /nfs/dbraw/zinc/38/47/41/1285384741.db2.gz UPBQEIGOSLKFDA-UXHICEINSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CC3)C2)c1 ZINC001036903052 1285384750 /nfs/dbraw/zinc/38/47/50/1285384750.db2.gz UPBQEIGOSLKFDA-UXHICEINSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001133434467 1285425414 /nfs/dbraw/zinc/42/54/14/1285425414.db2.gz SLHYVTYFSPBCLR-BLLLJJGKSA-N 1 3 343.874 2.832 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001133434186 1285425435 /nfs/dbraw/zinc/42/54/35/1285425435.db2.gz KBYZFFIYPWYHSF-OAHLLOKOSA-N 1 3 346.302 2.785 20 0 EFADHO CN1CCC[C@H]1CC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834146 1285463980 /nfs/dbraw/zinc/46/39/80/1285463980.db2.gz LTIYRYCYANOQIN-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834146 1285464006 /nfs/dbraw/zinc/46/40/06/1285464006.db2.gz LTIYRYCYANOQIN-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@H]1CC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834144 1285464461 /nfs/dbraw/zinc/46/44/61/1285464461.db2.gz LTIYRYCYANOQIN-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834144 1285464469 /nfs/dbraw/zinc/46/44/69/1285464469.db2.gz LTIYRYCYANOQIN-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NCCCNC(=O)CCCC[NH+](C)C)c1c(F)cccc1F ZINC001171585038 1285634544 /nfs/dbraw/zinc/63/45/44/1285634544.db2.gz IFVHGFFGBSEQDR-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cnccc1C ZINC001171585809 1285636060 /nfs/dbraw/zinc/63/60/60/1285636060.db2.gz DRDRCEHDJMEVJV-QGZVFWFLSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001171585828 1285636133 /nfs/dbraw/zinc/63/61/33/1285636133.db2.gz FJHVTBZALUGPAD-CYBMUJFWSA-N 1 3 339.446 2.934 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001171586802 1285637407 /nfs/dbraw/zinc/63/74/07/1285637407.db2.gz TWVDWMIYXHUPAP-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001171586802 1285637417 /nfs/dbraw/zinc/63/74/17/1285637417.db2.gz TWVDWMIYXHUPAP-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCOC1CCC1 ZINC001171586959 1285638976 /nfs/dbraw/zinc/63/89/76/1285638976.db2.gz WOEMYXMNJFVOAW-INIZCTEOSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1cccc2c1CC[C@@H](N1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171574999 1285653929 /nfs/dbraw/zinc/65/39/29/1285653929.db2.gz UGNFBOJVKDGQNR-HXUWFJFHSA-N 1 3 327.516 2.566 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](NC2(C[NH3+])CC2)C[C@@H]1C(C)(C)C ZINC001171595517 1285666565 /nfs/dbraw/zinc/66/65/65/1285666565.db2.gz FRRJULVNFPDCHR-UONOGXRCSA-N 1 3 325.497 2.882 20 0 EFADHO CN1C(C)(C)CC([NH2+]CC2CCN(c3cnccn3)CC2)CC1(C)C ZINC001171627577 1285691406 /nfs/dbraw/zinc/69/14/06/1285691406.db2.gz XJYINWSUFNPKLN-UHFFFAOYSA-N 1 3 345.535 2.934 20 0 EFADHO CN(C)C(=O)[C@@H]1CC12CC[NH+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171636078 1285715573 /nfs/dbraw/zinc/71/55/73/1285715573.db2.gz AKRLCKMGBPXSNQ-INIZCTEOSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340474911 1289025637 /nfs/dbraw/zinc/02/56/37/1289025637.db2.gz PYUYDBYPQRXAQT-GFEQUFNTSA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340474911 1289025642 /nfs/dbraw/zinc/02/56/42/1289025642.db2.gz PYUYDBYPQRXAQT-GFEQUFNTSA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340474911 1289025647 /nfs/dbraw/zinc/02/56/47/1289025647.db2.gz PYUYDBYPQRXAQT-GFEQUFNTSA-N 1 3 333.524 2.965 20 0 EFADHO COc1ccnc(O[C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641173 1285719358 /nfs/dbraw/zinc/71/93/58/1285719358.db2.gz NGWIYUULAARZTF-HNNXBMFYSA-N 1 3 348.491 2.590 20 0 EFADHO COc1ccnc(O[C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)n1 ZINC001171641173 1285719363 /nfs/dbraw/zinc/71/93/63/1285719363.db2.gz NGWIYUULAARZTF-HNNXBMFYSA-N 1 3 348.491 2.590 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Oc3ncccn3)C2)CC1(C)C ZINC001171641364 1285720193 /nfs/dbraw/zinc/72/01/93/1285720193.db2.gz QJIMLHQESJUZLS-INIZCTEOSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Oc3ncccn3)C2)CC1(C)C ZINC001171641364 1285720200 /nfs/dbraw/zinc/72/02/00/1285720200.db2.gz QJIMLHQESJUZLS-INIZCTEOSA-N 1 3 332.492 2.971 20 0 EFADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ccncn3)CC2)CC1(C)C ZINC001171641323 1285720500 /nfs/dbraw/zinc/72/05/00/1285720500.db2.gz ONSFEEBNVWSBRO-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ccncn3)CC2)CC1(C)C ZINC001171641323 1285720508 /nfs/dbraw/zinc/72/05/08/1285720508.db2.gz ONSFEEBNVWSBRO-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO Cc1cncnc1O[C@@H]1CC[N@@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641669 1285721124 /nfs/dbraw/zinc/72/11/24/1285721124.db2.gz SLZYTRQOQXNBPF-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1cncnc1O[C@@H]1CC[N@H+](C2CC(C)(C)N(C)C(C)(C)C2)C1 ZINC001171641669 1285721132 /nfs/dbraw/zinc/72/11/32/1285721132.db2.gz SLZYTRQOQXNBPF-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001171762409 1285769693 /nfs/dbraw/zinc/76/96/93/1285769693.db2.gz CYQDOVYLBTVDCG-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001171762962 1285770381 /nfs/dbraw/zinc/77/03/81/1285770381.db2.gz OCNOHSIJIOSXIK-UHFFFAOYSA-N 1 3 327.419 2.562 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001171762402 1285770751 /nfs/dbraw/zinc/77/07/51/1285770751.db2.gz CMGSNVRYYFDQJN-XQRVVYSFSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H]1C[C@H](n2c(=N)sc3c2CCNC3)C[N@@H+]1Cc1ccccc1 ZINC001171764139 1285772048 /nfs/dbraw/zinc/77/20/48/1285772048.db2.gz RDYHUCPHYFADHE-ZFWWWQNUSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@H]1C[C@H](n2c(=N)sc3c2CCNC3)C[N@H+]1Cc1ccccc1 ZINC001171764139 1285772057 /nfs/dbraw/zinc/77/20/57/1285772057.db2.gz RDYHUCPHYFADHE-ZFWWWQNUSA-N 1 3 328.485 2.510 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccccc1OC(C)C)[NH+](CC)CC ZINC001133685358 1285779854 /nfs/dbraw/zinc/77/98/54/1285779854.db2.gz UOJDXOPZCJDLQY-SFHVURJKSA-N 1 3 349.519 2.800 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccc(F)c(Cl)c1)[NH+](CC)CC ZINC001133685697 1285779988 /nfs/dbraw/zinc/77/99/88/1285779988.db2.gz ZSPJLMRTHPYCBK-MRXNPFEDSA-N 1 3 343.874 2.805 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H]([NH2+]CCCN2CCCC2)CC1 ZINC001171863691 1285864340 /nfs/dbraw/zinc/86/43/40/1285864340.db2.gz CJLOJCFOIJDIDO-IBGZPJMESA-N 1 3 329.488 2.757 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086711876 1285942401 /nfs/dbraw/zinc/94/24/01/1285942401.db2.gz FUCRQTVVRUTQDA-XUVXKRRUSA-N 1 3 343.515 2.936 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973420 1285956741 /nfs/dbraw/zinc/95/67/41/1285956741.db2.gz YXHVZCHRUFEHCO-KZNAEPCWSA-N 1 3 330.472 2.971 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973420 1285956748 /nfs/dbraw/zinc/95/67/48/1285956748.db2.gz YXHVZCHRUFEHCO-KZNAEPCWSA-N 1 3 330.472 2.971 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975069 1285958859 /nfs/dbraw/zinc/95/88/59/1285958859.db2.gz CBZZZBVLXXWXMD-SJORKVTESA-N 1 3 329.488 2.544 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975069 1285958864 /nfs/dbraw/zinc/95/88/64/1285958864.db2.gz CBZZZBVLXXWXMD-SJORKVTESA-N 1 3 329.488 2.544 20 0 EFADHO CO[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1OC ZINC001171978494 1285962919 /nfs/dbraw/zinc/96/29/19/1285962919.db2.gz YMFAUGISMFEMHI-QRVBRYPASA-N 1 3 332.488 2.775 20 0 EFADHO CO[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C[C@@H]1OC ZINC001171978494 1285962923 /nfs/dbraw/zinc/96/29/23/1285962923.db2.gz YMFAUGISMFEMHI-QRVBRYPASA-N 1 3 332.488 2.775 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987378 1285966680 /nfs/dbraw/zinc/96/66/80/1285966680.db2.gz UKJDYNGMBYUHIA-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987378 1285966687 /nfs/dbraw/zinc/96/66/87/1285966687.db2.gz UKJDYNGMBYUHIA-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001133819622 1285973488 /nfs/dbraw/zinc/97/34/88/1285973488.db2.gz JLJGONZKDMQTLT-MRXNPFEDSA-N 1 3 325.456 2.530 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001133819932 1285975634 /nfs/dbraw/zinc/97/56/34/1285975634.db2.gz RXBQXGCPFLNDDA-MRXNPFEDSA-N 1 3 331.504 2.674 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccc2ccccc2c1 ZINC001133823656 1285981175 /nfs/dbraw/zinc/98/11/75/1285981175.db2.gz LIMWVEPYEPMXKT-QGZVFWFLSA-N 1 3 339.483 2.572 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)CC1=O ZINC001172032809 1285981412 /nfs/dbraw/zinc/98/14/12/1285981412.db2.gz RYMXIERGCFFHTL-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CC[C@H](N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1=O ZINC001172049657 1285988962 /nfs/dbraw/zinc/98/89/62/1285988962.db2.gz YGAJLYVEHCHSGN-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CC[C@H](N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1=O ZINC001172049657 1285988975 /nfs/dbraw/zinc/98/89/75/1285988975.db2.gz YGAJLYVEHCHSGN-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072796 1285992021 /nfs/dbraw/zinc/99/20/21/1285992021.db2.gz NBPHSFQLJQDWQQ-NCYKPQTJSA-N 1 3 341.499 2.783 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072796 1285992032 /nfs/dbraw/zinc/99/20/32/1285992032.db2.gz NBPHSFQLJQDWQQ-NCYKPQTJSA-N 1 3 341.499 2.783 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C[C@@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001172101596 1285998530 /nfs/dbraw/zinc/99/85/30/1285998530.db2.gz FSPSYGIZRRUPEP-RDGPPVDQSA-N 1 3 344.503 2.512 20 0 EFADHO N=c1ncc(CN)cn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172065286 1286007736 /nfs/dbraw/zinc/00/77/36/1286007736.db2.gz JZXZIEBXHNCNBA-BWTSREIZSA-N 1 3 337.471 2.579 20 0 EFADHO N=c1ncc(CN)cn1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065286 1286007741 /nfs/dbraw/zinc/00/77/41/1286007741.db2.gz JZXZIEBXHNCNBA-BWTSREIZSA-N 1 3 337.471 2.579 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(Cl)cc1 ZINC001133824081 1286008692 /nfs/dbraw/zinc/00/86/92/1286008692.db2.gz XIWMAUKHUMXZCH-RHSMWYFYSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001133824006 1286008748 /nfs/dbraw/zinc/00/87/48/1286008748.db2.gz VTTNDZYWPJGUJI-LBPRGKRZSA-N 1 3 344.286 2.684 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001133823960 1286008993 /nfs/dbraw/zinc/00/89/93/1286008993.db2.gz UHFCIYFFHLIEBM-KRWDZBQOSA-N 1 3 331.504 2.575 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3cc(Cl)ccn3)CC1)C2 ZINC001172126809 1286010640 /nfs/dbraw/zinc/01/06/40/1286010640.db2.gz YETONKJYOXLQBB-BJWYYQGGSA-N 1 3 334.895 2.872 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1cccc2ccccc21 ZINC001133850438 1286012724 /nfs/dbraw/zinc/01/27/24/1286012724.db2.gz MVFHDKHJWCMNML-IRXDYDNUSA-N 1 3 339.483 2.948 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001172129118 1286012732 /nfs/dbraw/zinc/01/27/32/1286012732.db2.gz WMHAULHQIKTQOY-ZSBIGDGJSA-N 1 3 328.382 2.735 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CCNC3)C2 ZINC001172129118 1286012742 /nfs/dbraw/zinc/01/27/42/1286012742.db2.gz WMHAULHQIKTQOY-ZSBIGDGJSA-N 1 3 328.382 2.735 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001172131912 1286015775 /nfs/dbraw/zinc/01/57/75/1286015775.db2.gz ZJIIWBKTJUIBIP-GDNZZTSVSA-N 1 3 328.382 2.735 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001172131912 1286015779 /nfs/dbraw/zinc/01/57/79/1286015779.db2.gz ZJIIWBKTJUIBIP-GDNZZTSVSA-N 1 3 328.382 2.735 20 0 EFADHO COc1cccnc1O[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172132498 1286015800 /nfs/dbraw/zinc/01/58/00/1286015800.db2.gz LWVSAPPDZZCURZ-MLHJIOFPSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172132498 1286015803 /nfs/dbraw/zinc/01/58/03/1286015803.db2.gz LWVSAPPDZZCURZ-MLHJIOFPSA-N 1 3 345.487 2.949 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172104374 1286021356 /nfs/dbraw/zinc/02/13/56/1286021356.db2.gz CBEAOBLKZFCLHS-LAFIBXOBSA-N 1 3 325.500 2.722 20 0 EFADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1OC ZINC001172109022 1286022183 /nfs/dbraw/zinc/02/21/83/1286022183.db2.gz BKHOMKLSSUPJRQ-NNZMDNLPSA-N 1 3 348.487 2.825 20 0 EFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC001172109430 1286023688 /nfs/dbraw/zinc/02/36/88/1286023688.db2.gz GWOKQMLLSZCCSS-KYHPRHEASA-N 1 3 344.455 2.902 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001165718996 1312669927 /nfs/dbraw/zinc/66/99/27/1312669927.db2.gz WNTXEWNHWBPSGF-HUUCEWRRSA-N 1 3 345.478 2.638 20 0 EFADHO COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001172117439 1286027418 /nfs/dbraw/zinc/02/74/18/1286027418.db2.gz LSYSEPJTFXDOAI-DFGXFYAUSA-N 1 3 332.444 2.601 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCC2=CCCCC2)C1 ZINC001133856214 1286030980 /nfs/dbraw/zinc/03/09/80/1286030980.db2.gz ARTFMBIROBNJNL-LJQANCHMSA-N 1 3 339.499 2.795 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133849743 1286031210 /nfs/dbraw/zinc/03/12/10/1286031210.db2.gz CVXHUAMBWAOKNE-HXUWFJFHSA-N 1 3 349.494 2.722 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123582 1286031794 /nfs/dbraw/zinc/03/17/94/1286031794.db2.gz FDTXENGJBHERBE-PXCRPINLSA-N 1 3 325.500 2.917 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123582 1286031799 /nfs/dbraw/zinc/03/17/99/1286031799.db2.gz FDTXENGJBHERBE-PXCRPINLSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123582 1286031805 /nfs/dbraw/zinc/03/18/05/1286031805.db2.gz FDTXENGJBHERBE-PXCRPINLSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123582 1286031809 /nfs/dbraw/zinc/03/18/09/1286031809.db2.gz FDTXENGJBHERBE-PXCRPINLSA-N 1 3 325.500 2.917 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1C ZINC001133856896 1286032497 /nfs/dbraw/zinc/03/24/97/1286032497.db2.gz VJVPCBJZYKBFNX-FQEVSTJZSA-N 1 3 349.494 2.722 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCCc2ccccc2)C1 ZINC001133856844 1286032702 /nfs/dbraw/zinc/03/27/02/1286032702.db2.gz SNGSCDKZRWFBLQ-FQEVSTJZSA-N 1 3 349.494 2.538 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001133856727 1286032918 /nfs/dbraw/zinc/03/29/18/1286032918.db2.gz OPZQWTMXLBKAKH-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123587 1286033174 /nfs/dbraw/zinc/03/31/74/1286033174.db2.gz FDTXENGJBHERBE-XODKDNOYSA-N 1 3 325.500 2.917 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123587 1286033182 /nfs/dbraw/zinc/03/31/82/1286033182.db2.gz FDTXENGJBHERBE-XODKDNOYSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123587 1286033191 /nfs/dbraw/zinc/03/31/91/1286033191.db2.gz FDTXENGJBHERBE-XODKDNOYSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123587 1286033196 /nfs/dbraw/zinc/03/31/96/1286033196.db2.gz FDTXENGJBHERBE-XODKDNOYSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(c3nccc4occc43)CC1)C2 ZINC001172123957 1286033570 /nfs/dbraw/zinc/03/35/70/1286033570.db2.gz IAZONHKGMVOJIQ-BJWYYQGGSA-N 1 3 340.471 2.965 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3nccc4occc43)CC1)C2 ZINC001172123958 1286033806 /nfs/dbraw/zinc/03/38/06/1286033806.db2.gz IAZONHKGMVOJIQ-FVQHAEBGSA-N 1 3 340.471 2.965 20 0 EFADHO O=C1CC[C@@H]2C[C@H]([NH2+]C3CCN(C[C@@H]4CC=CCC4)CC3)CCN12 ZINC001172165910 1286044573 /nfs/dbraw/zinc/04/45/73/1286044573.db2.gz KVDXDSBPVLMTRY-BHIYHBOVSA-N 1 3 331.504 2.550 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+](C2C[C@H]4CC[C@@H](C2)O4)CC3)cn1 ZINC001172225879 1286058158 /nfs/dbraw/zinc/05/81/58/1286058158.db2.gz UBZNXIDTPXHIMX-YQQQUEKLSA-N 1 3 344.503 2.561 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2cccc3ccccc32)C1 ZINC001133894193 1286072544 /nfs/dbraw/zinc/07/25/44/1286072544.db2.gz WUKUGJLEBAQLNG-UHFFFAOYSA-N 1 3 339.483 2.778 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001133896120 1286075803 /nfs/dbraw/zinc/07/58/03/1286075803.db2.gz CRZCZFUXZHVKQK-GOSISDBHSA-N 1 3 347.478 2.641 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2ccc(SC)cc2)CC1 ZINC001172246892 1286077793 /nfs/dbraw/zinc/07/77/93/1286077793.db2.gz ZCUSLDTVXFWXJR-UHFFFAOYSA-N 1 3 338.517 2.878 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001172254897 1286084336 /nfs/dbraw/zinc/08/43/36/1286084336.db2.gz CYCRZUBNPQNTKA-HXUWFJFHSA-N 1 3 332.488 2.778 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001133906013 1286088842 /nfs/dbraw/zinc/08/88/42/1286088842.db2.gz MZBRELDBFYYFOE-UHFFFAOYSA-N 1 3 331.504 2.748 20 0 EFADHO CN(CC(=O)NCC[NH2+]CC/C=C\c1ccccc1)CC(C)(C)C ZINC001133906424 1286089727 /nfs/dbraw/zinc/08/97/27/1286089727.db2.gz VMTCAZBCLVGRMM-WQLSENKSSA-N 1 3 331.504 2.774 20 0 EFADHO CN(CC(=O)NCC[NH2+]CC/C=C/c1ccccc1)CC(C)(C)C ZINC001133906425 1286090110 /nfs/dbraw/zinc/09/01/10/1286090110.db2.gz VMTCAZBCLVGRMM-XYOKQWHBSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)c(F)c1 ZINC001133908104 1286092229 /nfs/dbraw/zinc/09/22/29/1286092229.db2.gz HYGJQXXLUOICOW-CYBMUJFWSA-N 1 3 341.446 2.710 20 0 EFADHO CC[C@H](C)OCC[C@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001172352519 1286122349 /nfs/dbraw/zinc/12/23/49/1286122349.db2.gz ICNLHEXSRLZMJE-OALUTQOASA-N 1 3 327.557 2.930 20 0 EFADHO CC[NH+](CC)CCCN1CCN([C@H](C)CCOCC(C)C)CC1 ZINC001172475343 1286142040 /nfs/dbraw/zinc/14/20/40/1286142040.db2.gz IFPXROONIGPWRZ-LJQANCHMSA-N 1 3 327.557 2.787 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCOC(C)C)C2 ZINC001172450852 1286155729 /nfs/dbraw/zinc/15/57/29/1286155729.db2.gz CHQVOYKCOJBQPK-MISYRCLQSA-N 1 3 338.536 2.870 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCOC(C)C)C2 ZINC001172450852 1286155737 /nfs/dbraw/zinc/15/57/37/1286155737.db2.gz CHQVOYKCOJBQPK-MISYRCLQSA-N 1 3 338.536 2.870 20 0 EFADHO CC(C)COCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172463902 1286159070 /nfs/dbraw/zinc/15/90/70/1286159070.db2.gz VTQMRXVSFQOBQU-KRWDZBQOSA-N 1 3 326.525 2.918 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)N(C)C ZINC001133965768 1286171937 /nfs/dbraw/zinc/17/19/37/1286171937.db2.gz JLMWEPYMBYVUOZ-DOMZBBRYSA-N 1 3 345.409 2.812 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001133965827 1286172499 /nfs/dbraw/zinc/17/24/99/1286172499.db2.gz LNBDBZPPARZJGC-AWEZNQCLSA-N 1 3 332.275 2.539 20 0 EFADHO CN(CCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172677401 1286242704 /nfs/dbraw/zinc/24/27/04/1286242704.db2.gz RGLFYOWSLROMDD-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO COC(=O)N1CCC([NH2+]C2CCN(C[C@H]3CC=CCC3)CC2)CC1 ZINC001172736175 1286249672 /nfs/dbraw/zinc/24/96/72/1286249672.db2.gz KKKBNMSXZPORRB-INIZCTEOSA-N 1 3 335.492 2.628 20 0 EFADHO Cc1nccc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)c1F ZINC001170719761 1286252524 /nfs/dbraw/zinc/25/25/24/1286252524.db2.gz YUECWOMZYAFDHE-IYARVYRRSA-N 1 3 346.494 2.702 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001173000602 1286378139 /nfs/dbraw/zinc/37/81/39/1286378139.db2.gz QWYXNFXENWXNJO-RTBURBONSA-N 1 3 347.478 2.893 20 0 EFADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172991359 1286388595 /nfs/dbraw/zinc/38/85/95/1286388595.db2.gz QXYGBOCHICBUJU-UHFFFAOYSA-N 1 3 335.467 2.752 20 0 EFADHO C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001173051849 1286393671 /nfs/dbraw/zinc/39/36/71/1286393671.db2.gz AFQRLFWELGSEKO-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1CC[C@@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001173051849 1286393679 /nfs/dbraw/zinc/39/36/79/1286393679.db2.gz AFQRLFWELGSEKO-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001173051849 1286393687 /nfs/dbraw/zinc/39/36/87/1286393687.db2.gz AFQRLFWELGSEKO-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061879 1286396947 /nfs/dbraw/zinc/39/69/47/1286396947.db2.gz MHFBJKFFJIUYQB-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061879 1286396953 /nfs/dbraw/zinc/39/69/53/1286396953.db2.gz MHFBJKFFJIUYQB-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3nccc(C)n3)CC2)CC1 ZINC001173112709 1286415606 /nfs/dbraw/zinc/41/56/06/1286415606.db2.gz CBKCLMYMYYKPGA-UHFFFAOYSA-N 1 3 331.508 2.560 20 0 EFADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095061772 1286471274 /nfs/dbraw/zinc/47/12/74/1286471274.db2.gz BCTZEPTVEWCVQZ-WDSOQIARSA-N 1 3 343.515 2.987 20 0 EFADHO CCSC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001173304604 1286515457 /nfs/dbraw/zinc/51/54/57/1286515457.db2.gz QARBUKWEIAEWRY-RYQLBKOJSA-N 1 3 326.550 2.808 20 0 EFADHO CCSC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001173304604 1286515460 /nfs/dbraw/zinc/51/54/60/1286515460.db2.gz QARBUKWEIAEWRY-RYQLBKOJSA-N 1 3 326.550 2.808 20 0 EFADHO CCOCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368871 1286638392 /nfs/dbraw/zinc/63/83/92/1286638392.db2.gz BPFBJWCWUPEUQA-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccn1 ZINC001134369845 1286641132 /nfs/dbraw/zinc/64/11/32/1286641132.db2.gz SRLUSGFXUZAPGF-SJORKVTESA-N 1 3 346.519 2.719 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750792 1286725752 /nfs/dbraw/zinc/72/57/52/1286725752.db2.gz NPXMLJZZJSULPZ-ROUUACIJSA-N 1 3 341.540 2.549 20 0 EFADHO COCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170751276 1286731651 /nfs/dbraw/zinc/73/16/51/1286731651.db2.gz PYCNLURCGGFMFN-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@H](N2CCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC001173665009 1286742451 /nfs/dbraw/zinc/74/24/51/1286742451.db2.gz QUPZGGYOAPEETL-IRXDYDNUSA-N 1 3 331.460 2.634 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC001173665007 1286743032 /nfs/dbraw/zinc/74/30/32/1286743032.db2.gz QUPZGGYOAPEETL-DLBZAZTESA-N 1 3 331.460 2.634 20 0 EFADHO N[C@@]1(C(F)(F)F)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206211962 1286769129 /nfs/dbraw/zinc/76/91/29/1286769129.db2.gz QOPAVPWIDYXXQC-KRWDZBQOSA-N 1 3 341.421 2.864 20 0 EFADHO c1nnn([C@@H]2CCC[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C2)n1 ZINC001173747599 1286775141 /nfs/dbraw/zinc/77/51/41/1286775141.db2.gz CFNRUIUISBKANZ-RTBURBONSA-N 1 3 346.523 2.791 20 0 EFADHO C[C@@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173774203 1286791228 /nfs/dbraw/zinc/79/12/28/1286791228.db2.gz SYRZJAHXUUEULS-LBPRGKRZSA-N 1 3 341.858 2.610 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173774203 1286791233 /nfs/dbraw/zinc/79/12/33/1286791233.db2.gz SYRZJAHXUUEULS-LBPRGKRZSA-N 1 3 341.858 2.610 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583701 1286916694 /nfs/dbraw/zinc/91/66/94/1286916694.db2.gz NLYVURHOGAHOLC-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583453 1286917688 /nfs/dbraw/zinc/91/76/88/1286917688.db2.gz KOAKTXVVLBUFDR-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001134584778 1286918673 /nfs/dbraw/zinc/91/86/73/1286918673.db2.gz WWNFAYZWZBLTBY-HZPDHXFCSA-N 1 3 346.519 2.556 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001134584504 1286918792 /nfs/dbraw/zinc/91/87/92/1286918792.db2.gz URISDKMFJVPDMC-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001134607494 1286966938 /nfs/dbraw/zinc/96/69/38/1286966938.db2.gz IIGPFFAFTPYCEU-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001134607496 1286967904 /nfs/dbraw/zinc/96/79/04/1286967904.db2.gz IIGPFFAFTPYCEU-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134608524 1286970113 /nfs/dbraw/zinc/97/01/13/1286970113.db2.gz WVKOQKXBVPDKDI-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134608607 1286970143 /nfs/dbraw/zinc/97/01/43/1286970143.db2.gz XPRMTUKDUTWXSO-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO CC[NH+](CC)CCNC(=O)c1ccc(Nc2ccncc2C)cc1 ZINC001174540352 1287039740 /nfs/dbraw/zinc/03/97/40/1287039740.db2.gz WPLIDQXSMCYXTJ-UHFFFAOYSA-N 1 3 326.444 2.627 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769190 1287119110 /nfs/dbraw/zinc/11/91/10/1287119110.db2.gz FNXPPCIIBGZYKI-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001134763111 1287160120 /nfs/dbraw/zinc/16/01/20/1287160120.db2.gz MBRUCFHERBRLMN-KRWDZBQOSA-N 1 3 337.895 2.809 20 0 EFADHO CCc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134763444 1287160948 /nfs/dbraw/zinc/16/09/48/1287160948.db2.gz YVWRKMSQYWNNRF-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001134766839 1287163946 /nfs/dbraw/zinc/16/39/46/1287163946.db2.gz NICQXBKDRSRAJH-MOPGFXCFSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2c1cccc2F ZINC001134766172 1287164031 /nfs/dbraw/zinc/16/40/31/1287164031.db2.gz DSKKKEWAEZLIKK-OALUTQOASA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c(C)c1 ZINC001134766797 1287164227 /nfs/dbraw/zinc/16/42/27/1287164227.db2.gz MMVPMBGGFUACSZ-LJQANCHMSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001134769231 1287166292 /nfs/dbraw/zinc/16/62/92/1287166292.db2.gz IOHFSDKJEZXVQY-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001134769231 1287166295 /nfs/dbraw/zinc/16/62/95/1287166295.db2.gz IOHFSDKJEZXVQY-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001134768720 1287166539 /nfs/dbraw/zinc/16/65/39/1287166539.db2.gz FOJPSVGOBUTAKU-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134772228 1287168596 /nfs/dbraw/zinc/16/85/96/1287168596.db2.gz AHVVEYJVABOUPZ-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134772228 1287168605 /nfs/dbraw/zinc/16/86/05/1287168605.db2.gz AHVVEYJVABOUPZ-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001134773116 1287170024 /nfs/dbraw/zinc/17/00/24/1287170024.db2.gz LFOWBLFIZJHOBV-SJORKVTESA-N 1 3 349.519 2.669 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001134772910 1287170082 /nfs/dbraw/zinc/17/00/82/1287170082.db2.gz JCESPIAUXIYHCO-GJZGRUSLSA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1csc(C)n1 ZINC001134772396 1287170593 /nfs/dbraw/zinc/17/05/93/1287170593.db2.gz CTRAWKSETOPREQ-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1csc(C)n1 ZINC001134772396 1287170597 /nfs/dbraw/zinc/17/05/97/1287170597.db2.gz CTRAWKSETOPREQ-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC001134773636 1287171174 /nfs/dbraw/zinc/17/11/74/1287171174.db2.gz PUTPWOOUNKNIJN-CVEARBPZSA-N 1 3 349.519 2.798 20 0 EFADHO C[C@H]1[C@@H](NCc2sccc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001179435162 1289139316 /nfs/dbraw/zinc/13/93/16/1289139316.db2.gz LUVGGFWRERXGIH-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC/C(Cl)=C\Cl ZINC001135297408 1287911579 /nfs/dbraw/zinc/91/15/79/1287911579.db2.gz BBOOWBWYBVBCSG-CDRMENOJSA-N 1 3 336.307 2.520 20 0 EFADHO C[C@H](C[C@H](C)NCc1c(F)cccc1F)NC(=O)CCC[NH+](C)C ZINC001135315556 1287944458 /nfs/dbraw/zinc/94/44/58/1287944458.db2.gz QAFKVXFKKXFLCT-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176351093 1287961457 /nfs/dbraw/zinc/96/14/57/1287961457.db2.gz PUBIKZMHWGZKEW-CYBMUJFWSA-N 1 3 334.489 2.787 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCCc1ccccc1 ZINC001135440409 1288023426 /nfs/dbraw/zinc/02/34/26/1288023426.db2.gz LWJFCHDPLOAPCE-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1csc(C)c1)C(C)C ZINC001135474529 1288024167 /nfs/dbraw/zinc/02/41/67/1288024167.db2.gz SHKSUXIURYKUGC-MRXNPFEDSA-N 1 3 325.522 2.629 20 0 EFADHO CCCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481807 1288037042 /nfs/dbraw/zinc/03/70/42/1288037042.db2.gz XSKGPPUKTHOJIP-IAGOWNOFSA-N 1 3 343.556 2.654 20 0 EFADHO COCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481893 1288037064 /nfs/dbraw/zinc/03/70/64/1288037064.db2.gz YYCNVFAAZHGTHK-IAGOWNOFSA-N 1 3 343.556 2.654 20 0 EFADHO CC(C)OCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481573 1288037107 /nfs/dbraw/zinc/03/71/07/1288037107.db2.gz VNQFFUKMDNZRCS-SJORKVTESA-N 1 3 343.556 2.652 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566136 1288041971 /nfs/dbraw/zinc/04/19/71/1288041971.db2.gz YPUOMZBKAFMDGS-YFPJMFCJSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176566136 1288041980 /nfs/dbraw/zinc/04/19/80/1288041980.db2.gz YPUOMZBKAFMDGS-YFPJMFCJSA-N 1 3 336.307 2.522 20 0 EFADHO Cc1cncc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001135475741 1288047238 /nfs/dbraw/zinc/04/72/38/1288047238.db2.gz FZJJQYGGKDEWKY-DLBZAZTESA-N 1 3 348.535 2.741 20 0 EFADHO Cc1ncccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475640 1288047399 /nfs/dbraw/zinc/04/73/99/1288047399.db2.gz DGKLIJGZPNPATH-HOTGVXAUSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001135513323 1288069529 /nfs/dbraw/zinc/06/95/29/1288069529.db2.gz MPOUVCHNJBWDJP-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001135513252 1288069869 /nfs/dbraw/zinc/06/98/69/1288069869.db2.gz JGXAEJYIAAHJCR-UHFFFAOYSA-N 1 3 325.541 2.887 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739192 1288090463 /nfs/dbraw/zinc/09/04/63/1288090463.db2.gz VFNBNTAEPULCBU-DLBZAZTESA-N 1 3 349.519 2.661 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746906 1288093768 /nfs/dbraw/zinc/09/37/68/1288093768.db2.gz PATFBHUOEMEGEG-SJORKVTESA-N 1 3 349.519 2.661 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)c1ccccc1CN(C)C ZINC001176746901 1288093812 /nfs/dbraw/zinc/09/38/12/1288093812.db2.gz PAIUEFNOLLRRDB-INIZCTEOSA-N 1 3 337.483 2.986 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176753324 1288119061 /nfs/dbraw/zinc/11/90/61/1288119061.db2.gz FZQOOUHTCPBSAP-AWEZNQCLSA-N 1 3 333.467 2.637 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176753775 1288120060 /nfs/dbraw/zinc/12/00/60/1288120060.db2.gz MULGDCSMRBSPAG-MRXNPFEDSA-N 1 3 337.483 2.931 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC001176889832 1288164083 /nfs/dbraw/zinc/16/40/83/1288164083.db2.gz FXHDYHCBGLZXLN-POAQFYNOSA-N 1 3 343.515 2.894 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2)c1 ZINC001176890029 1288164096 /nfs/dbraw/zinc/16/40/96/1288164096.db2.gz KACIEAJSPBVBLB-UHFFFAOYSA-N 1 3 325.456 2.658 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1cc(F)ccc1F ZINC001179490143 1289161054 /nfs/dbraw/zinc/16/10/54/1289161054.db2.gz KCDLXJOEDZIZNE-DCGLDWPTSA-N 1 3 339.430 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001176948397 1288190749 /nfs/dbraw/zinc/19/07/49/1288190749.db2.gz VDBVXCNRMSFFCQ-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001176971587 1288199257 /nfs/dbraw/zinc/19/92/57/1288199257.db2.gz DTPCMSVVHFOWBO-SFHVURJKSA-N 1 3 335.467 2.639 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001176971585 1288199939 /nfs/dbraw/zinc/19/99/39/1288199939.db2.gz DTPCMSVVHFOWBO-GOSISDBHSA-N 1 3 335.467 2.639 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001176972230 1288201913 /nfs/dbraw/zinc/20/19/13/1288201913.db2.gz RQGCXUVJSNWGAP-CYBMUJFWSA-N 1 3 343.874 2.976 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C ZINC001176986997 1288207700 /nfs/dbraw/zinc/20/77/00/1288207700.db2.gz YYBWCDOHOSOPAM-GOSISDBHSA-N 1 3 335.467 2.604 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001176986899 1288207772 /nfs/dbraw/zinc/20/77/72/1288207772.db2.gz XZXADWXGBYCHSC-CQSZACIVSA-N 1 3 325.884 2.837 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(Cl)c1 ZINC001176986791 1288207952 /nfs/dbraw/zinc/20/79/52/1288207952.db2.gz VUBHYPLONCDZFC-QGZVFWFLSA-N 1 3 337.895 2.810 20 0 EFADHO CCc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCCCN1CC ZINC001176986876 1288208046 /nfs/dbraw/zinc/20/80/46/1288208046.db2.gz XNJRKTHEWRTUDX-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001176986432 1288208242 /nfs/dbraw/zinc/20/82/42/1288208242.db2.gz OANLJBHFXMKBCX-AWEZNQCLSA-N 1 3 337.430 2.689 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176991403 1288216808 /nfs/dbraw/zinc/21/68/08/1288216808.db2.gz ASTOIRGXAZBTPV-OALUTQOASA-N 1 3 329.488 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176991402 1288216995 /nfs/dbraw/zinc/21/69/95/1288216995.db2.gz ASTOIRGXAZBTPV-MOPGFXCFSA-N 1 3 329.488 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001176992604 1288217635 /nfs/dbraw/zinc/21/76/35/1288217635.db2.gz VMVSGUNWJWQMDN-KRWDZBQOSA-N 1 3 337.533 2.835 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001176992310 1288217876 /nfs/dbraw/zinc/21/78/76/1288217876.db2.gz LUNVPXGETYNTBC-QFBILLFUSA-N 1 3 347.503 2.727 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001176992413 1288218518 /nfs/dbraw/zinc/21/85/18/1288218518.db2.gz OORZNCACYBLRHH-RTBURBONSA-N 1 3 347.478 2.783 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001135691150 1288267434 /nfs/dbraw/zinc/26/74/34/1288267434.db2.gz PGBSIFBBGZCREQ-MSOLQXFVSA-N 1 3 348.535 2.967 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135706659 1288291010 /nfs/dbraw/zinc/29/10/10/1288291010.db2.gz YVZAGEGBRAZNRQ-MSOLQXFVSA-N 1 3 333.520 2.834 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135743647 1288324534 /nfs/dbraw/zinc/32/45/34/1288324534.db2.gz NONBXOXIKIRQPV-NEPJUHHUSA-N 1 3 346.928 2.511 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001135744268 1288325457 /nfs/dbraw/zinc/32/54/57/1288325457.db2.gz YLWDAXWEXJIBDD-KGLIPLIRSA-N 1 3 339.446 2.934 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000817021455 1288377247 /nfs/dbraw/zinc/37/72/47/1288377247.db2.gz IPYZUDKMJURPGZ-HNAYVOBHSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000817021455 1288377254 /nfs/dbraw/zinc/37/72/54/1288377254.db2.gz IPYZUDKMJURPGZ-HNAYVOBHSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000817021453 1288377970 /nfs/dbraw/zinc/37/79/70/1288377970.db2.gz IPYZUDKMJURPGZ-BEFAXECRSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000817021453 1288377974 /nfs/dbraw/zinc/37/79/74/1288377974.db2.gz IPYZUDKMJURPGZ-BEFAXECRSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C)C1(C(=O)N(CCC[NH2+]CCCF)CC2CCCC2)CCC1 ZINC001177339634 1288399087 /nfs/dbraw/zinc/39/90/87/1288399087.db2.gz MLLPLJPTGKVPGZ-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)[C@H](C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)N(C)C ZINC001177409159 1288420277 /nfs/dbraw/zinc/42/02/77/1288420277.db2.gz NYNDFRCVFDZVPV-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@@H](C)C1 ZINC001177416138 1288424728 /nfs/dbraw/zinc/42/47/28/1288424728.db2.gz VOHOIRGZDGTQML-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001135857092 1288510918 /nfs/dbraw/zinc/51/09/18/1288510918.db2.gz CPLPRBMKOBQCJV-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001135857092 1288510922 /nfs/dbraw/zinc/51/09/22/1288510922.db2.gz CPLPRBMKOBQCJV-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNCc2ccccc2-n2nnc3ccccc32)C1 ZINC001177794252 1288549741 /nfs/dbraw/zinc/54/97/41/1288549741.db2.gz AQWNOFXLWJCKMB-INIZCTEOSA-N 1 3 335.455 2.852 20 0 EFADHO C[N@H+]1CCC[C@@H](CNCc2ccccc2-n2nnc3ccccc32)C1 ZINC001177794252 1288549748 /nfs/dbraw/zinc/54/97/48/1288549748.db2.gz AQWNOFXLWJCKMB-INIZCTEOSA-N 1 3 335.455 2.852 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC=C(Cl)Cl ZINC001178045019 1288634754 /nfs/dbraw/zinc/63/47/54/1288634754.db2.gz AKWHHLHOYDDYRQ-CYBMUJFWSA-N 1 3 336.307 2.666 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC=C(Cl)Cl ZINC001178045020 1288635275 /nfs/dbraw/zinc/63/52/75/1288635275.db2.gz AKWHHLHOYDDYRQ-ZDUSSCGKSA-N 1 3 336.307 2.666 20 0 EFADHO Cc1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)s1 ZINC001135966178 1288689331 /nfs/dbraw/zinc/68/93/31/1288689331.db2.gz KGJZTVGIHHMYNY-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001135979342 1288704340 /nfs/dbraw/zinc/70/43/40/1288704340.db2.gz FUFIDVUSFQTOOK-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001135981062 1288706261 /nfs/dbraw/zinc/70/62/61/1288706261.db2.gz XBOINFHPEDMCOI-CABCVRRESA-N 1 3 325.522 2.505 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001135981064 1288706608 /nfs/dbraw/zinc/70/66/08/1288706608.db2.gz XBOINFHPEDMCOI-HUUCEWRRSA-N 1 3 325.522 2.505 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135981104 1288707034 /nfs/dbraw/zinc/70/70/34/1288707034.db2.gz XZXWAEMSVFGUTF-IRXDYDNUSA-N 1 3 349.519 2.718 20 0 EFADHO COc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)c(C)n1 ZINC001232332498 1312678232 /nfs/dbraw/zinc/67/82/32/1312678232.db2.gz RMSVPIVCOUVIEF-UHFFFAOYSA-N 1 3 347.503 2.723 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]Cc1ccsc1)C1CCC1 ZINC001178705301 1288879907 /nfs/dbraw/zinc/87/99/07/1288879907.db2.gz LKCDDXNWZNEGFS-UHFFFAOYSA-N 1 3 337.533 2.999 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC=C(Cl)Cl)[C@@H]2C)CC[N@@H+]1C ZINC001178735660 1288889381 /nfs/dbraw/zinc/88/93/81/1288889381.db2.gz AIIJJLZAFMWACI-XDQVBPFNSA-N 1 3 348.318 2.615 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC=C(Cl)Cl)[C@@H]2C)CC[N@H+]1C ZINC001178735660 1288889384 /nfs/dbraw/zinc/88/93/84/1288889384.db2.gz AIIJJLZAFMWACI-XDQVBPFNSA-N 1 3 348.318 2.615 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255715 1312682579 /nfs/dbraw/zinc/68/25/79/1312682579.db2.gz OAZLBZHYKASEMF-JKSUJKDBSA-N 1 3 343.496 2.544 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255715 1312682583 /nfs/dbraw/zinc/68/25/83/1312682583.db2.gz OAZLBZHYKASEMF-JKSUJKDBSA-N 1 3 343.496 2.544 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cncc(C)c1 ZINC001178854045 1288944222 /nfs/dbraw/zinc/94/42/22/1288944222.db2.gz VRIOGVNYWUKSLQ-UHFFFAOYSA-N 1 3 348.535 2.887 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC[C@H]1CCCCO1)N(C)C ZINC001178815431 1288945205 /nfs/dbraw/zinc/94/52/05/1288945205.db2.gz BWVXHJOKRQNAHF-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001178816265 1288945917 /nfs/dbraw/zinc/94/59/17/1288945917.db2.gz ZOZBCMRGEJWMIF-MRXNPFEDSA-N 1 3 340.537 2.558 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCc1cccs1)N(C)C ZINC001178820428 1288946616 /nfs/dbraw/zinc/94/66/16/1288946616.db2.gz YNXSCCTXLHTOMS-QGZVFWFLSA-N 1 3 339.549 2.897 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179539283 1289183759 /nfs/dbraw/zinc/18/37/59/1289183759.db2.gz STSVUHOIPPYQBH-WXZUVFNWSA-N 1 3 345.890 2.530 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546324 1289185284 /nfs/dbraw/zinc/18/52/84/1289185284.db2.gz LGFABKARRFPESN-SQNIBIBYSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549668 1289186331 /nfs/dbraw/zinc/18/63/31/1289186331.db2.gz FLMKUPJSPBTSAM-RDJZCZTQSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CC2CC(F)(F)C2)C1 ZINC001179586572 1289189514 /nfs/dbraw/zinc/18/95/14/1289189514.db2.gz QPNKHZZMIDQLSW-HNNXBMFYSA-N 1 3 345.478 2.640 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2cccc(F)c2)C1 ZINC001179586547 1289189579 /nfs/dbraw/zinc/18/95/79/1289189579.db2.gz PZMRSKGTFUTTMT-KRWDZBQOSA-N 1 3 349.494 2.934 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccc(F)cc2)C1 ZINC001179586510 1289189827 /nfs/dbraw/zinc/18/98/27/1289189827.db2.gz PQSHOPYYKXEFKX-QGZVFWFLSA-N 1 3 349.494 2.934 20 0 EFADHO CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179590571 1289191328 /nfs/dbraw/zinc/19/13/28/1289191328.db2.gz JAKVFMJBSLGCTP-GOSISDBHSA-N 1 3 329.504 2.875 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179593184 1289193238 /nfs/dbraw/zinc/19/32/38/1289193238.db2.gz ZCEBLIAFEJQIHB-MRXNPFEDSA-N 1 3 329.504 2.733 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC001179779123 1289253780 /nfs/dbraw/zinc/25/37/80/1289253780.db2.gz AKDGNRMJABFESM-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@@H]1C ZINC001179744033 1289255986 /nfs/dbraw/zinc/25/59/86/1289255986.db2.gz CZIXLLIFRBJWNH-FFZOFVMBSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC001179744160 1289256107 /nfs/dbraw/zinc/25/61/07/1289256107.db2.gz FOSLWSNNJADHCR-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@@H]1C ZINC001179744536 1289257078 /nfs/dbraw/zinc/25/70/78/1289257078.db2.gz UYMJSCMSSDPKQR-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)nc1C ZINC001179846602 1289284403 /nfs/dbraw/zinc/28/44/03/1289284403.db2.gz OIYZODCRNUVMML-UHFFFAOYSA-N 1 3 348.535 2.806 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1cnc(C)s1 ZINC001179846544 1289285148 /nfs/dbraw/zinc/28/51/48/1289285148.db2.gz JGBAWELXHXSWHI-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)[C@@H]1C ZINC001179983320 1289351924 /nfs/dbraw/zinc/35/19/24/1289351924.db2.gz VZTNDYQQEXBWHZ-VDGAXYAQSA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179983381 1289352008 /nfs/dbraw/zinc/35/20/08/1289352008.db2.gz ZCTYIQFCRLZSCW-XCUKTARSSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179983380 1289352614 /nfs/dbraw/zinc/35/26/14/1289352614.db2.gz ZCTYIQFCRLZSCW-FMISOVINSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2F)[C@@H]1C ZINC001179987195 1289353755 /nfs/dbraw/zinc/35/37/55/1289353755.db2.gz OTMKEGXFUGIJQT-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCOc1ccccc1 ZINC001180123265 1289425773 /nfs/dbraw/zinc/42/57/73/1289425773.db2.gz DJXLQELMIAOXCL-UHFFFAOYSA-N 1 3 349.519 2.673 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl ZINC001180123913 1289426274 /nfs/dbraw/zinc/42/62/74/1289426274.db2.gz NNOOPNPLHRYCGX-SDNWHVSQSA-N 1 3 338.323 2.913 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001180158685 1289437025 /nfs/dbraw/zinc/43/70/25/1289437025.db2.gz PGFCJMIRUYTFKP-UHFFFAOYSA-N 1 3 326.460 2.667 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001180222943 1289449958 /nfs/dbraw/zinc/44/99/58/1289449958.db2.gz XIPQROBFJSRADU-YJBOKZPZSA-N 1 3 335.467 2.575 20 0 EFADHO CCOCC[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180357622 1289494947 /nfs/dbraw/zinc/49/49/47/1289494947.db2.gz XTXVMUNDJAUANQ-UHFFFAOYSA-N 1 3 349.519 2.665 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001166004757 1312717280 /nfs/dbraw/zinc/71/72/80/1312717280.db2.gz WNDZCYDWTBJAIS-CQSZACIVSA-N 1 3 331.913 2.584 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001166004739 1312717309 /nfs/dbraw/zinc/71/73/09/1312717309.db2.gz VIELCILUUAIXEZ-GOSISDBHSA-N 1 3 331.460 2.615 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001166011156 1312717702 /nfs/dbraw/zinc/71/77/02/1312717702.db2.gz YKTZHCIJHWWZIR-LJQANCHMSA-N 1 3 333.520 2.691 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001166010290 1312717935 /nfs/dbraw/zinc/71/79/35/1312717935.db2.gz NHIXHLJUBZQHHJ-FSENSJEKSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@@H](C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)N1CCCC1 ZINC001180584251 1289576934 /nfs/dbraw/zinc/57/69/34/1289576934.db2.gz SZHXZYSTAGLMKN-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C1CCCC1 ZINC001180630235 1289586931 /nfs/dbraw/zinc/58/69/31/1289586931.db2.gz FVTIPDTZHPBRGM-UAPYVXQJSA-N 1 3 344.503 2.555 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000873190158 1289630836 /nfs/dbraw/zinc/63/08/36/1289630836.db2.gz WMDMGMKDNATQSN-CEWLAPEOSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000873190158 1289630845 /nfs/dbraw/zinc/63/08/45/1289630845.db2.gz WMDMGMKDNATQSN-CEWLAPEOSA-N 1 3 345.531 2.740 20 0 EFADHO COc1ccccc1OCCN(C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203489 1289639698 /nfs/dbraw/zinc/63/96/98/1289639698.db2.gz FBVJDGUUDJVSHJ-UHFFFAOYSA-N 1 3 332.469 2.913 20 0 EFADHO CCc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)s1 ZINC000873218322 1289650503 /nfs/dbraw/zinc/65/05/03/1289650503.db2.gz CMRVHVZZXKQJDG-UHFFFAOYSA-N 1 3 327.457 2.640 20 0 EFADHO Cc1cc(C)c(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c(C)c1 ZINC000873218831 1289650531 /nfs/dbraw/zinc/65/05/31/1289650531.db2.gz SINYPDCFPUSYPI-UHFFFAOYSA-N 1 3 335.455 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC(C)(C)C3)C2)c1 ZINC001016329880 1312723810 /nfs/dbraw/zinc/72/38/10/1312723810.db2.gz COLUGHGLVHGJBQ-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC(C)(C)C3)C2)c1 ZINC001016329880 1312723813 /nfs/dbraw/zinc/72/38/13/1312723813.db2.gz COLUGHGLVHGJBQ-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO COC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873291148 1289706098 /nfs/dbraw/zinc/70/60/98/1289706098.db2.gz DPTMGJLCVTWWCS-SJORKVTESA-N 1 3 338.879 2.776 20 0 EFADHO c1c[nH]c([C@@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CCCCC2)n1 ZINC000873294564 1289709088 /nfs/dbraw/zinc/70/90/88/1289709088.db2.gz WSYGCHRSHCJSND-IRXDYDNUSA-N 1 3 332.492 2.779 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000873297671 1289711794 /nfs/dbraw/zinc/71/17/94/1289711794.db2.gz YWCHXNNUTQOKLK-SJKOYZFVSA-N 1 3 333.863 2.756 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001181652632 1289886797 /nfs/dbraw/zinc/88/67/97/1289886797.db2.gz NROMFTGSBHCOOA-JHYWFVFGSA-N 1 3 347.890 2.638 20 0 EFADHO CC(C)CCC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746697 1289928480 /nfs/dbraw/zinc/92/84/80/1289928480.db2.gz WLOOYEYKZMNCOG-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754446 1289929362 /nfs/dbraw/zinc/92/93/62/1289929362.db2.gz ARWPTQNMINTVTQ-YVWKXTFCSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]Cc1ccsc1 ZINC001181754873 1289929410 /nfs/dbraw/zinc/92/94/10/1289929410.db2.gz GKAFWNRBHKYGQD-LSBZLQRGSA-N 1 3 349.544 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]Cc1ccsc1 ZINC001181754872 1289930199 /nfs/dbraw/zinc/93/01/99/1289930199.db2.gz GKAFWNRBHKYGQD-DKSSEZFCSA-N 1 3 349.544 2.663 20 0 EFADHO O=C(CC1CC[NH+](Cc2ccccc2)CC1)N1CCN2CCC1CC2 ZINC001182042309 1290053391 /nfs/dbraw/zinc/05/33/91/1290053391.db2.gz YCBOSPYJHQMEFH-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001182517742 1290213381 /nfs/dbraw/zinc/21/33/81/1290213381.db2.gz WQKHKVJVDVFYBD-YFVAEKQCSA-N 1 3 345.531 2.847 20 0 EFADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001182630528 1290228983 /nfs/dbraw/zinc/22/89/83/1290228983.db2.gz ZLDWYJYIKZWSRI-LZQZEXGQSA-N 1 3 341.515 2.682 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001182924052 1290269138 /nfs/dbraw/zinc/26/91/38/1290269138.db2.gz DKCWCIMWIHFIHJ-YLJYHZDGSA-N 1 3 335.536 2.903 20 0 EFADHO Cc1c(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccnc1Cl ZINC001232754836 1312773681 /nfs/dbraw/zinc/77/36/81/1312773681.db2.gz KMNRQHUVMLOPRX-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1 ZINC001183516893 1290353228 /nfs/dbraw/zinc/35/32/28/1290353228.db2.gz DHQDVXUQASRDHR-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001183510266 1290358052 /nfs/dbraw/zinc/35/80/52/1290358052.db2.gz RMGUHLLOIYDDSA-YLJYHZDGSA-N 1 3 335.536 2.901 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000874828522 1290379122 /nfs/dbraw/zinc/37/91/22/1290379122.db2.gz HKUBTGNONVBSCS-PMACEKPBSA-N 1 3 341.499 2.981 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827271 1290397738 /nfs/dbraw/zinc/39/77/38/1290397738.db2.gz XVEOSEJCDBKWMN-HUUCEWRRSA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827271 1290397751 /nfs/dbraw/zinc/39/77/51/1290397751.db2.gz XVEOSEJCDBKWMN-HUUCEWRRSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCCCCF ZINC001184575794 1290476014 /nfs/dbraw/zinc/47/60/14/1290476014.db2.gz DYRDZJBXQZFVBU-SJORKVTESA-N 1 3 341.515 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001184710886 1290497223 /nfs/dbraw/zinc/49/72/23/1290497223.db2.gz ADSIYPSACYIBBE-VIGJRRFGSA-N 1 3 329.916 2.543 20 0 EFADHO c1c2ccccc2oc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507087 1312787033 /nfs/dbraw/zinc/78/70/33/1312787033.db2.gz MRBNLVXNMRTEOC-HDICACEKSA-N 1 3 325.456 2.833 20 0 EFADHO COc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507144 1312787444 /nfs/dbraw/zinc/78/74/44/1312787444.db2.gz OTFJYGZJAOJGIL-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO COc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903507144 1312787448 /nfs/dbraw/zinc/78/74/48/1312787448.db2.gz OTFJYGZJAOJGIL-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO COc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903507144 1312787450 /nfs/dbraw/zinc/78/74/50/1312787450.db2.gz OTFJYGZJAOJGIL-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795575561 1290554073 /nfs/dbraw/zinc/55/40/73/1290554073.db2.gz WTUYRJMQHJWOQD-RDJZCZTQSA-N 1 3 340.920 2.963 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795575561 1290554077 /nfs/dbraw/zinc/55/40/77/1290554077.db2.gz WTUYRJMQHJWOQD-RDJZCZTQSA-N 1 3 340.920 2.963 20 0 EFADHO C[C@H](c1cc(F)ccc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511254 1312792968 /nfs/dbraw/zinc/79/29/68/1312792968.db2.gz YXXQOLSSBWZRCT-XYPHTWIQSA-N 1 3 335.442 2.926 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185167164 1290606771 /nfs/dbraw/zinc/60/67/71/1290606771.db2.gz COYSNAKMOLOOSZ-ZWKOTPCHSA-N 1 3 335.536 2.759 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168480 1290606928 /nfs/dbraw/zinc/60/69/28/1290606928.db2.gz HGGUDUILZREOFN-DLBZAZTESA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]C/C=C\Cl ZINC001185168052 1290607246 /nfs/dbraw/zinc/60/72/46/1290607246.db2.gz FTSJYKTUXDQPMM-ATEGUMQPSA-N 1 3 341.927 2.545 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185171504 1290609348 /nfs/dbraw/zinc/60/93/48/1290609348.db2.gz WSLADYITORKDSE-FUHWJXTLSA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185361228 1290650883 /nfs/dbraw/zinc/65/08/83/1290650883.db2.gz WPUVQMBVOMSSNC-ZWKOTPCHSA-N 1 3 325.541 2.839 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001037158603 1290689963 /nfs/dbraw/zinc/68/99/63/1290689963.db2.gz UDVAKFBMSJETQK-SJORKVTESA-N 1 3 344.503 2.715 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)CC1 ZINC000875873225 1290692656 /nfs/dbraw/zinc/69/26/56/1290692656.db2.gz NUBBTKDJVIOGEK-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001185549203 1290705386 /nfs/dbraw/zinc/70/53/86/1290705386.db2.gz PLEPMKOZYHZXDZ-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001185551273 1290705451 /nfs/dbraw/zinc/70/54/51/1290705451.db2.gz YUJXCJFXPCTAEU-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001185549694 1290706459 /nfs/dbraw/zinc/70/64/59/1290706459.db2.gz RIQSBPBJUSCPCK-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC001185547199 1290718154 /nfs/dbraw/zinc/71/81/54/1290718154.db2.gz FYYAPELHGNOAGF-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185546770 1290718516 /nfs/dbraw/zinc/71/85/16/1290718516.db2.gz CSVVTVMZJSRYHE-IRXDYDNUSA-N 1 3 325.541 2.839 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001166626389 1312805836 /nfs/dbraw/zinc/80/58/36/1312805836.db2.gz FHYTYZDSMPBPRD-KBXCAEBGSA-N 1 3 349.906 2.908 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626145 1312806054 /nfs/dbraw/zinc/80/60/54/1312806054.db2.gz BRTWQJZOBOENOB-HNNXBMFYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001166627209 1312806218 /nfs/dbraw/zinc/80/62/18/1312806218.db2.gz SHCZRUHQUJRGLE-APWZRJJASA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC001166627021 1312806307 /nfs/dbraw/zinc/80/63/07/1312806307.db2.gz OBRURLXJCILBNI-SJORKVTESA-N 1 3 343.515 2.817 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627649 1312806500 /nfs/dbraw/zinc/80/65/00/1312806500.db2.gz YKTWFJPMHUMLQP-ROUUACIJSA-N 1 3 331.504 2.945 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876031814 1290762018 /nfs/dbraw/zinc/76/20/18/1290762018.db2.gz SHRHNBGSCWGZQH-UHFFFAOYSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001185750235 1290762559 /nfs/dbraw/zinc/76/25/59/1290762559.db2.gz IFCPJIIBCQMMEP-RDJZCZTQSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001166634464 1312808253 /nfs/dbraw/zinc/80/82/53/1312808253.db2.gz SWBMLBAVJLBOJU-HNNXBMFYSA-N 1 3 329.444 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001166633154 1312808435 /nfs/dbraw/zinc/80/84/35/1312808435.db2.gz APZLSWOYIZBKOJ-KRWDZBQOSA-N 1 3 339.483 2.920 20 0 EFADHO C[C@@H](NCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1c(F)cccc1F ZINC001166645016 1312809631 /nfs/dbraw/zinc/80/96/31/1312809631.db2.gz LPHQMMZZAJNTIG-UONOGXRCSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H](NCCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1c(F)cccc1F ZINC001166645016 1312809632 /nfs/dbraw/zinc/80/96/32/1312809632.db2.gz LPHQMMZZAJNTIG-UONOGXRCSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cc(F)ccc1F ZINC001166644786 1312809692 /nfs/dbraw/zinc/80/96/92/1312809692.db2.gz HTCHHDDAWRHCAW-ZIAGYGMSSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H](NCCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1c(F)cccc1F ZINC001166645014 1312809757 /nfs/dbraw/zinc/80/97/57/1312809757.db2.gz LPHQMMZZAJNTIG-KGLIPLIRSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H](NCCCNC(=O)C[N@H+]1CCC[C@H]1C)c1c(F)cccc1F ZINC001166645014 1312809761 /nfs/dbraw/zinc/80/97/61/1312809761.db2.gz LPHQMMZZAJNTIG-KGLIPLIRSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cc(F)ccc1F ZINC001166644784 1312809815 /nfs/dbraw/zinc/80/98/15/1312809815.db2.gz HTCHHDDAWRHCAW-KGLIPLIRSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001166646038 1312810279 /nfs/dbraw/zinc/81/02/79/1312810279.db2.gz XPNNSNFNDJJIES-UONOGXRCSA-N 1 3 339.430 2.606 20 0 EFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC001273513537 1290817132 /nfs/dbraw/zinc/81/71/32/1290817132.db2.gz FFBFDHSHUBSHBJ-GOSISDBHSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCCNCc1c(F)cccc1Cl ZINC001166627198 1312806760 /nfs/dbraw/zinc/80/67/60/1312806760.db2.gz RXBHZIQVJHPKCT-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)NCCCNCc1c(F)cccc1Cl ZINC001166627198 1312806765 /nfs/dbraw/zinc/80/67/65/1312806765.db2.gz RXBHZIQVJHPKCT-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001166627430 1312806995 /nfs/dbraw/zinc/80/69/95/1312806995.db2.gz VSFNBQRGYIEXCU-SKKUGFDVSA-N 1 3 349.906 2.933 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166667630 1312815111 /nfs/dbraw/zinc/81/51/11/1312815111.db2.gz FRERETWOILNKLJ-CQSZACIVSA-N 1 3 337.895 2.586 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001166667853 1312815250 /nfs/dbraw/zinc/81/52/50/1312815250.db2.gz JQQPYDQJEVHGCI-KRWDZBQOSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001166676931 1312817017 /nfs/dbraw/zinc/81/70/17/1312817017.db2.gz DZPIMCPDKMQLBP-INIZCTEOSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001166677354 1312817307 /nfs/dbraw/zinc/81/73/07/1312817307.db2.gz HWSMFKQBCDOCEP-OUMXJLHTSA-N 1 3 349.906 2.791 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC001166677204 1312817360 /nfs/dbraw/zinc/81/73/60/1312817360.db2.gz GXKWBEPUWYCBHF-QGZVFWFLSA-N 1 3 339.483 2.778 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1Cl ZINC001166677817 1312817407 /nfs/dbraw/zinc/81/74/07/1312817407.db2.gz NQDZWLWWUFNVQX-HUUCEWRRSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001166678421 1312817623 /nfs/dbraw/zinc/81/76/23/1312817623.db2.gz VBSMSEPUBGFICD-YPHWWSSASA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001166677734 1312817646 /nfs/dbraw/zinc/81/76/46/1312817646.db2.gz MDQUBUIEBMYAFE-LPHOPBHVSA-N 1 3 329.488 2.502 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CCC2CCCC2)C1 ZINC001166687563 1312820430 /nfs/dbraw/zinc/82/04/30/1312820430.db2.gz WJHPINVBUCJECW-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CCc2ccccc2)C1 ZINC001166687194 1312820442 /nfs/dbraw/zinc/82/04/42/1312820442.db2.gz ILHZLWMMLBDESB-FQEVSTJZSA-N 1 3 349.494 2.538 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001166687526 1312820779 /nfs/dbraw/zinc/82/07/79/1312820779.db2.gz UUIBSLBKPXQIMK-FQEVSTJZSA-N 1 3 349.494 2.803 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001186412580 1290950927 /nfs/dbraw/zinc/95/09/27/1290950927.db2.gz PRNIBIGEIGZKKP-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001186451497 1290955827 /nfs/dbraw/zinc/95/58/27/1290955827.db2.gz GWBBPKAKOGEBOM-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001186451030 1290955875 /nfs/dbraw/zinc/95/58/75/1290955875.db2.gz BFRRPDOPSHKOGX-DZGCQCFKSA-N 1 3 339.430 2.558 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)C(C)C ZINC001186428913 1290958710 /nfs/dbraw/zinc/95/87/10/1290958710.db2.gz ZYLVGTKMGKVIGQ-IAGOWNOFSA-N 1 3 337.533 2.805 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001186486706 1290963109 /nfs/dbraw/zinc/96/31/09/1290963109.db2.gz CSMMYOOGVTXTKD-RDTXWAMCSA-N 1 3 349.906 2.860 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001186487630 1290963262 /nfs/dbraw/zinc/96/32/62/1290963262.db2.gz KUWOVZHCVYOGOD-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001186488730 1290964554 /nfs/dbraw/zinc/96/45/54/1290964554.db2.gz UDLGNRBENWOLAD-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO Cn1nccc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248394465 1290989176 /nfs/dbraw/zinc/98/91/76/1290989176.db2.gz HYSJMQHXAZNGKG-CEWLAPEOSA-N 1 3 338.499 2.853 20 0 EFADHO CCCN1CC[C@H](C[NH2+]CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876963631 1291088063 /nfs/dbraw/zinc/08/80/63/1291088063.db2.gz GHXCLSNXUGXLTL-MRXNPFEDSA-N 1 3 325.497 2.567 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876963950 1291088898 /nfs/dbraw/zinc/08/88/98/1291088898.db2.gz MGRIAXDMRIANOS-HNNXBMFYSA-N 1 3 327.513 2.859 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166736829 1312832262 /nfs/dbraw/zinc/83/22/62/1312832262.db2.gz UNNNKYIZYXKYIE-MRXNPFEDSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccccc1F ZINC001166744458 1312833256 /nfs/dbraw/zinc/83/32/56/1312833256.db2.gz XXGMAHDYYNERDI-HNNXBMFYSA-N 1 3 335.467 2.715 20 0 EFADHO CCc1ccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001166744129 1312833428 /nfs/dbraw/zinc/83/34/28/1312833428.db2.gz JDMYJOHNVUEFQJ-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001187321935 1291144432 /nfs/dbraw/zinc/14/44/32/1291144432.db2.gz IRIQWNISSQWHBN-RDTXWAMCSA-N 1 3 349.906 2.860 20 0 EFADHO CC(=O)OC1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093454170 1291144614 /nfs/dbraw/zinc/14/46/14/1291144614.db2.gz IRGCPOVUPIRHAD-UHFFFAOYSA-N 1 3 346.471 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001187329887 1291145620 /nfs/dbraw/zinc/14/56/20/1291145620.db2.gz ZITYRCIWFWSYBV-HXUWFJFHSA-N 1 3 339.483 2.872 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201123 1291164071 /nfs/dbraw/zinc/16/40/71/1291164071.db2.gz DEVOBWBEVPRAGA-IBGZPJMESA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000877200632 1291164260 /nfs/dbraw/zinc/16/42/60/1291164260.db2.gz NLYPCCWJBWYBFI-LJQANCHMSA-N 1 3 329.488 2.848 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)c2cc3c(s2)CCNC3)CC1 ZINC000877201452 1291164284 /nfs/dbraw/zinc/16/42/84/1291164284.db2.gz YSFAORQOHKCTNB-UHFFFAOYSA-N 1 3 335.517 2.634 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857791 1291249418 /nfs/dbraw/zinc/24/94/18/1291249418.db2.gz RDSAOMHPQRNNSE-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857791 1291249424 /nfs/dbraw/zinc/24/94/24/1291249424.db2.gz RDSAOMHPQRNNSE-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857703 1291250070 /nfs/dbraw/zinc/25/00/70/1291250070.db2.gz PPFNANUDZCLYEE-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857703 1291250078 /nfs/dbraw/zinc/25/00/78/1291250078.db2.gz PPFNANUDZCLYEE-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856831 1291250681 /nfs/dbraw/zinc/25/06/81/1291250681.db2.gz DJZUDDZHFIRCES-QLLBUPAMSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856831 1291250686 /nfs/dbraw/zinc/25/06/86/1291250686.db2.gz DJZUDDZHFIRCES-QLLBUPAMSA-N 1 3 333.520 2.748 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)C1 ZINC000877552421 1291272583 /nfs/dbraw/zinc/27/25/83/1291272583.db2.gz TZSUUDWJQBHMKQ-IBGZPJMESA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)C1 ZINC000877552421 1291272586 /nfs/dbraw/zinc/27/25/86/1291272586.db2.gz TZSUUDWJQBHMKQ-IBGZPJMESA-N 1 3 339.524 2.955 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188086207 1291310115 /nfs/dbraw/zinc/31/01/15/1291310115.db2.gz YVROFBXHINLVQW-ZMBJWTFHSA-N 1 3 329.488 2.909 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145791 1291320235 /nfs/dbraw/zinc/32/02/35/1291320235.db2.gz PDSDHIVHFCRTEA-QGZVFWFLSA-N 1 3 337.895 2.679 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001188158228 1291332975 /nfs/dbraw/zinc/33/29/75/1291332975.db2.gz IMOFKQFCFXSHHE-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001188158174 1291334047 /nfs/dbraw/zinc/33/40/47/1291334047.db2.gz FXHSANSGXHYSTI-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCC(C)(C)CC3)CC2)C1 ZINC000957328298 1291390546 /nfs/dbraw/zinc/39/05/46/1291390546.db2.gz MYINNQHMQUNAQA-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCN(CC3CCC(C)(C)CC3)CC2)C1 ZINC000957328298 1291390557 /nfs/dbraw/zinc/39/05/57/1291390557.db2.gz MYINNQHMQUNAQA-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1)N(C)C ZINC001166851732 1312853914 /nfs/dbraw/zinc/85/39/14/1312853914.db2.gz FREFLDXUOZKQPT-KRWDZBQOSA-N 1 3 339.911 2.709 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001166851701 1312854116 /nfs/dbraw/zinc/85/41/16/1312854116.db2.gz DZPJQFYEDKWEEV-HNNXBMFYSA-N 1 3 345.409 2.642 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001166857680 1312854645 /nfs/dbraw/zinc/85/46/45/1312854645.db2.gz GEYIIGBQKUNJCJ-HNNXBMFYSA-N 1 3 327.419 2.560 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001166857726 1312854722 /nfs/dbraw/zinc/85/47/22/1312854722.db2.gz IJCKMEUQZIUJLS-IRXDYDNUSA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001166857309 1312854828 /nfs/dbraw/zinc/85/48/28/1312854828.db2.gz CDPQPLMPGNNCFX-ROUUACIJSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001166858360 1312855323 /nfs/dbraw/zinc/85/53/23/1312855323.db2.gz RIZQJBIKDIBYEA-WVRJYTFGSA-N 1 3 337.895 2.789 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1F)N(C)C ZINC001166858301 1312855356 /nfs/dbraw/zinc/85/53/56/1312855356.db2.gz OQMQIWCDLAKNOH-DOMZBBRYSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001166858010 1312855604 /nfs/dbraw/zinc/85/56/04/1312855604.db2.gz KJQCQCAXKSUCJA-IBGZPJMESA-N 1 3 331.504 2.890 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC1 ZINC001166870017 1312857041 /nfs/dbraw/zinc/85/70/41/1312857041.db2.gz QCZDCFIIXPXUJK-UHFFFAOYSA-N 1 3 348.318 2.523 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970010 1291531139 /nfs/dbraw/zinc/53/11/39/1291531139.db2.gz DNQNSOIIFCEOLS-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001189390107 1291694967 /nfs/dbraw/zinc/69/49/67/1291694967.db2.gz NCGWKTRJJYOURZ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001189390107 1291694974 /nfs/dbraw/zinc/69/49/74/1291694974.db2.gz NCGWKTRJJYOURZ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517355 1291697496 /nfs/dbraw/zinc/69/74/96/1291697496.db2.gz OQYTTZZVIIDFIP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517162 1291697608 /nfs/dbraw/zinc/69/76/08/1291697608.db2.gz KUGNTHSSLGLXGS-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000957516723 1291698709 /nfs/dbraw/zinc/69/87/09/1291698709.db2.gz APEFLUIDTZBMRB-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000878549736 1291712538 /nfs/dbraw/zinc/71/25/38/1291712538.db2.gz OUAVTCAILMGDSG-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000878712252 1291765003 /nfs/dbraw/zinc/76/50/03/1291765003.db2.gz WZWKJLFVIBFEPT-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559339 1291765105 /nfs/dbraw/zinc/76/51/05/1291765105.db2.gz GIXYOVBBMXIRMK-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)N(C)C ZINC000957563281 1291771791 /nfs/dbraw/zinc/77/17/91/1291771791.db2.gz DIUTVXKYANBUHS-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016611224 1312881001 /nfs/dbraw/zinc/88/10/01/1312881001.db2.gz CNZSULZOYHROHJ-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001189660471 1291807641 /nfs/dbraw/zinc/80/76/41/1291807641.db2.gz RAKZDHJYEWUWLE-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001189660471 1291807651 /nfs/dbraw/zinc/80/76/51/1291807651.db2.gz RAKZDHJYEWUWLE-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001167043716 1312887737 /nfs/dbraw/zinc/88/77/37/1312887737.db2.gz FRNBUBGAOAMAIJ-QGZVFWFLSA-N 1 3 337.552 2.885 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC000957605457 1291859639 /nfs/dbraw/zinc/85/96/39/1291859639.db2.gz CQKFIAVYAMGIRS-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605452 1291859684 /nfs/dbraw/zinc/85/96/84/1291859684.db2.gz CLZLBXYCCPKDGD-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612266 1291878095 /nfs/dbraw/zinc/87/80/95/1291878095.db2.gz MHCMQGLGDWLOPL-UHFFFAOYSA-N 1 3 330.476 2.623 20 0 EFADHO c1nc2ccccn2c1CN1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001203148019 1312889629 /nfs/dbraw/zinc/88/96/29/1312889629.db2.gz FAEVTOMGHHTHRQ-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO c1nc2ccccn2c1CN1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001203148019 1312889633 /nfs/dbraw/zinc/88/96/33/1312889633.db2.gz FAEVTOMGHHTHRQ-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN4CCCC4)CC3)CC2)C1 ZINC000957644913 1291954366 /nfs/dbraw/zinc/95/43/66/1291954366.db2.gz OBLHFNGSZPWRPX-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957645018 1291955774 /nfs/dbraw/zinc/95/57/74/1291955774.db2.gz RSOPDCKOSNVJOS-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957645278 1291955905 /nfs/dbraw/zinc/95/59/05/1291955905.db2.gz VHCMAYOSAWVTEC-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3CC)CC2)CC1 ZINC000957647907 1291959388 /nfs/dbraw/zinc/95/93/88/1291959388.db2.gz WYUIYOHNTBWUDU-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)Oc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001137140929 1291973601 /nfs/dbraw/zinc/97/36/01/1291973601.db2.gz XTJJOCQDWOZMPW-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248920 1292043113 /nfs/dbraw/zinc/04/31/13/1292043113.db2.gz YWAHECIPKKLWFF-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016651069 1312903525 /nfs/dbraw/zinc/90/35/25/1312903525.db2.gz DDMSDAIMYDDUMQ-ZWKOTPCHSA-N 1 3 333.520 2.798 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016651065 1312903629 /nfs/dbraw/zinc/90/36/29/1312903629.db2.gz DDMSDAIMYDDUMQ-QZTJIDSGSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF)N1CCCCC1 ZINC001049477464 1312904196 /nfs/dbraw/zinc/90/41/96/1312904196.db2.gz GYEHNNRAAYNASW-DLBZAZTESA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF)N1CCCCC1 ZINC001049477464 1312904200 /nfs/dbraw/zinc/90/42/00/1312904200.db2.gz GYEHNNRAAYNASW-DLBZAZTESA-N 1 3 339.499 2.676 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016652264 1312904366 /nfs/dbraw/zinc/90/43/66/1312904366.db2.gz PXHNKOAYUZWHPC-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000957720129 1292130670 /nfs/dbraw/zinc/13/06/70/1292130670.db2.gz CJEMFFJDVMHMQI-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000957720129 1292130671 /nfs/dbraw/zinc/13/06/71/1292130671.db2.gz CJEMFFJDVMHMQI-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442910 1292162005 /nfs/dbraw/zinc/16/20/05/1292162005.db2.gz CEQLBJZDJMJEBE-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442910 1292162008 /nfs/dbraw/zinc/16/20/08/1292162008.db2.gz CEQLBJZDJMJEBE-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO COc1cccc([C@@H]2C[N@H+](CCCCn3ccnc3C)CCN2)c1 ZINC000879525366 1292172359 /nfs/dbraw/zinc/17/23/59/1292172359.db2.gz WSAORPLTPAOLIB-IBGZPJMESA-N 1 3 328.460 2.627 20 0 EFADHO COc1cccc([C@@H]2C[N@@H+](CCCCn3ccnc3C)CCN2)c1 ZINC000879525366 1292172362 /nfs/dbraw/zinc/17/23/62/1292172362.db2.gz WSAORPLTPAOLIB-IBGZPJMESA-N 1 3 328.460 2.627 20 0 EFADHO COc1cccc([C@@H]2CN(CCCCn3ccnc3C)CC[NH2+]2)c1 ZINC000879525366 1292172365 /nfs/dbraw/zinc/17/23/65/1292172365.db2.gz WSAORPLTPAOLIB-IBGZPJMESA-N 1 3 328.460 2.627 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC000957774088 1292225834 /nfs/dbraw/zinc/22/58/34/1292225834.db2.gz HKCWPZPUXMEZQH-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001190776581 1292309972 /nfs/dbraw/zinc/30/99/72/1292309972.db2.gz PVCUIXPJSXNEFC-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001190776581 1292309980 /nfs/dbraw/zinc/30/99/80/1292309980.db2.gz PVCUIXPJSXNEFC-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001190789817 1292316457 /nfs/dbraw/zinc/31/64/57/1292316457.db2.gz SZZLASSWLXYMIQ-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001190789817 1292316466 /nfs/dbraw/zinc/31/64/66/1292316466.db2.gz SZZLASSWLXYMIQ-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1)N(C)C ZINC001190901629 1292348196 /nfs/dbraw/zinc/34/81/96/1292348196.db2.gz ZVGGMCHFTZKYCL-ZIAGYGMSSA-N 1 3 337.430 2.592 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1)N(C)C ZINC001190901629 1292348205 /nfs/dbraw/zinc/34/82/05/1292348205.db2.gz ZVGGMCHFTZKYCL-ZIAGYGMSSA-N 1 3 337.430 2.592 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001190899081 1292371210 /nfs/dbraw/zinc/37/12/10/1292371210.db2.gz HAACVFVYWLPDAD-HQNNKSEMSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001190899081 1292371218 /nfs/dbraw/zinc/37/12/18/1292371218.db2.gz HAACVFVYWLPDAD-HQNNKSEMSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001191020083 1292429554 /nfs/dbraw/zinc/42/95/54/1292429554.db2.gz SETUBFOYCLXCMZ-GOSISDBHSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001191020083 1292429558 /nfs/dbraw/zinc/42/95/58/1292429558.db2.gz SETUBFOYCLXCMZ-GOSISDBHSA-N 1 3 349.494 2.897 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203508539 1312942216 /nfs/dbraw/zinc/94/22/16/1312942216.db2.gz YXSJDRDLPZBGSN-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203520345 1312945014 /nfs/dbraw/zinc/94/50/14/1312945014.db2.gz FNGGFZKIUQGZEO-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203524589 1312946127 /nfs/dbraw/zinc/94/61/27/1312946127.db2.gz XDQUELXIHDFZLQ-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203524551 1312946413 /nfs/dbraw/zinc/94/64/13/1312946413.db2.gz WSHKMSRNXFANIM-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008354 1292748114 /nfs/dbraw/zinc/74/81/14/1292748114.db2.gz WHFXUPDFLQWJNU-ABMFHFBKSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192343485 1292878075 /nfs/dbraw/zinc/87/80/75/1292878075.db2.gz PMINYICAIMUYGM-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192343485 1292878086 /nfs/dbraw/zinc/87/80/86/1292878086.db2.gz PMINYICAIMUYGM-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001192385743 1292885818 /nfs/dbraw/zinc/88/58/18/1292885818.db2.gz JFRLJVHDHWTAPK-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001192385743 1292885830 /nfs/dbraw/zinc/88/58/30/1292885830.db2.gz JFRLJVHDHWTAPK-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203578146 1312962527 /nfs/dbraw/zinc/96/25/27/1312962527.db2.gz UFNUDHBMUBELRB-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203578146 1312962531 /nfs/dbraw/zinc/96/25/31/1312962531.db2.gz UFNUDHBMUBELRB-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760917 1312963439 /nfs/dbraw/zinc/96/34/39/1312963439.db2.gz FBRMABFADMYKPN-HOTGVXAUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761138 1312963469 /nfs/dbraw/zinc/96/34/69/1312963469.db2.gz GUIKSYGVYDVFGI-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)CN1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760867 1312963583 /nfs/dbraw/zinc/96/35/83/1312963583.db2.gz CXHXXXUAQBFFOF-HOTGVXAUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192670424 1292975405 /nfs/dbraw/zinc/97/54/05/1292975405.db2.gz AAJCRBHSCTZDEV-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192670424 1292975415 /nfs/dbraw/zinc/97/54/15/1292975415.db2.gz AAJCRBHSCTZDEV-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO CCCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](CC)N(C)C)cc1 ZINC001114848614 1292997811 /nfs/dbraw/zinc/99/78/11/1292997811.db2.gz COXVELZGTSMFBS-ZGXWSNOMSA-N 1 3 343.515 2.526 20 0 EFADHO CCCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](CC)N(C)C)cc1 ZINC001114848614 1292997817 /nfs/dbraw/zinc/99/78/17/1292997817.db2.gz COXVELZGTSMFBS-ZGXWSNOMSA-N 1 3 343.515 2.526 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001192946701 1293106312 /nfs/dbraw/zinc/10/63/12/1293106312.db2.gz DWWFVLLYYFGGEK-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001192946701 1293106315 /nfs/dbraw/zinc/10/63/15/1293106315.db2.gz DWWFVLLYYFGGEK-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C1 ZINC001192947547 1293106424 /nfs/dbraw/zinc/10/64/24/1293106424.db2.gz JQITZSLPDHAYOV-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C1 ZINC001192947547 1293106428 /nfs/dbraw/zinc/10/64/28/1293106428.db2.gz JQITZSLPDHAYOV-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001192946703 1293107418 /nfs/dbraw/zinc/10/74/18/1293107418.db2.gz DWWFVLLYYFGGEK-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001192946703 1293107420 /nfs/dbraw/zinc/10/74/20/1293107420.db2.gz DWWFVLLYYFGGEK-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2C)C1 ZINC001192946670 1293107434 /nfs/dbraw/zinc/10/74/34/1293107434.db2.gz CONAVYSNLIOPDU-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)C1 ZINC001192946670 1293107436 /nfs/dbraw/zinc/10/74/36/1293107436.db2.gz CONAVYSNLIOPDU-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001192948807 1293108232 /nfs/dbraw/zinc/10/82/32/1293108232.db2.gz VCGPKUQHFPFPLP-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001192948807 1293108238 /nfs/dbraw/zinc/10/82/38/1293108238.db2.gz VCGPKUQHFPFPLP-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001192948808 1293108773 /nfs/dbraw/zinc/10/87/73/1293108773.db2.gz VCGPKUQHFPFPLP-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001192948808 1293108775 /nfs/dbraw/zinc/10/87/75/1293108775.db2.gz VCGPKUQHFPFPLP-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001192948932 1293110285 /nfs/dbraw/zinc/11/02/85/1293110285.db2.gz YFYSHHZTOKXTBC-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001192948932 1293110291 /nfs/dbraw/zinc/11/02/91/1293110291.db2.gz YFYSHHZTOKXTBC-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001192970163 1293126977 /nfs/dbraw/zinc/12/69/77/1293126977.db2.gz QAYXBZFZVFRBBX-DRHVUCGNSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001192970163 1293126982 /nfs/dbraw/zinc/12/69/82/1293126982.db2.gz QAYXBZFZVFRBBX-DRHVUCGNSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001192970848 1293129146 /nfs/dbraw/zinc/12/91/46/1293129146.db2.gz ZBUAIWQTLKJGBH-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001192970848 1293129148 /nfs/dbraw/zinc/12/91/48/1293129148.db2.gz ZBUAIWQTLKJGBH-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203642835 1312979152 /nfs/dbraw/zinc/97/91/52/1312979152.db2.gz ZFTNKLWYQPMERA-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203652368 1312982017 /nfs/dbraw/zinc/98/20/17/1312982017.db2.gz UEFSUDDMNGYSHU-OLZOCXBDSA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203651194 1312981327 /nfs/dbraw/zinc/98/13/27/1312981327.db2.gz MEHBLGJYBMUUKN-IAGOWNOFSA-N 1 3 349.544 2.649 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203652316 1312981697 /nfs/dbraw/zinc/98/16/97/1312981697.db2.gz TXVRXZTYCLEUAU-IAGOWNOFSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203661048 1312983531 /nfs/dbraw/zinc/98/35/31/1312983531.db2.gz SLVIRMFEZHIDFJ-SJORKVTESA-N 1 3 332.492 2.714 20 0 EFADHO CC[N@H+](C)[C@H](C(=O)N1CC[C@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193423541 1293303084 /nfs/dbraw/zinc/30/30/84/1293303084.db2.gz BZDJUOJGZMUULU-OCECCIJISA-N 1 3 349.906 2.965 20 0 EFADHO CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193423541 1293303092 /nfs/dbraw/zinc/30/30/92/1293303092.db2.gz BZDJUOJGZMUULU-OCECCIJISA-N 1 3 349.906 2.965 20 0 EFADHO CN(CCc1ccccc1F)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571457 1293349797 /nfs/dbraw/zinc/34/97/97/1293349797.db2.gz RVTLGQYOZSVVMK-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC2CCCC2)CC3)C1 ZINC001016818767 1312995908 /nfs/dbraw/zinc/99/59/08/1312995908.db2.gz GKPQBIJGVWVPCT-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819023 1312996068 /nfs/dbraw/zinc/99/60/68/1312996068.db2.gz INIFXWWRJODIDP-HNAYVOBHSA-N 1 3 339.499 2.578 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001193610444 1293364575 /nfs/dbraw/zinc/36/45/75/1293364575.db2.gz PFWKAIUGDGLJLR-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001193610444 1293364582 /nfs/dbraw/zinc/36/45/82/1293364582.db2.gz PFWKAIUGDGLJLR-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001193620854 1293369435 /nfs/dbraw/zinc/36/94/35/1293369435.db2.gz CBAVOXANBHUAHJ-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001193620854 1293369443 /nfs/dbraw/zinc/36/94/43/1293369443.db2.gz CBAVOXANBHUAHJ-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001193621890 1293369750 /nfs/dbraw/zinc/36/97/50/1293369750.db2.gz JKHYJAWPEALDQW-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001193621890 1293369757 /nfs/dbraw/zinc/36/97/57/1293369757.db2.gz JKHYJAWPEALDQW-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001193621542 1293371004 /nfs/dbraw/zinc/37/10/04/1293371004.db2.gz HALAWBHQUBUPRT-POGDKVGISA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001193621542 1293371013 /nfs/dbraw/zinc/37/10/13/1293371013.db2.gz HALAWBHQUBUPRT-POGDKVGISA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193630882 1293376909 /nfs/dbraw/zinc/37/69/09/1293376909.db2.gz PZISKENIYNDPFI-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193630882 1293376919 /nfs/dbraw/zinc/37/69/19/1293376919.db2.gz PZISKENIYNDPFI-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001193642022 1293382363 /nfs/dbraw/zinc/38/23/63/1293382363.db2.gz KRPUMOQVZNDJAN-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001193642022 1293382369 /nfs/dbraw/zinc/38/23/69/1293382369.db2.gz KRPUMOQVZNDJAN-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CCCCC2)CC3)C1 ZINC001016820827 1312997440 /nfs/dbraw/zinc/99/74/40/1312997440.db2.gz UZJXNMXPBBQNKO-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001193643018 1293382743 /nfs/dbraw/zinc/38/27/43/1293382743.db2.gz PKMKDPCGMSLMSW-MJGOQNOKSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001193643018 1293382752 /nfs/dbraw/zinc/38/27/52/1293382752.db2.gz PKMKDPCGMSLMSW-MJGOQNOKSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001193643019 1293383970 /nfs/dbraw/zinc/38/39/70/1293383970.db2.gz PKMKDPCGMSLMSW-PKOBYXMFSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001193643019 1293383974 /nfs/dbraw/zinc/38/39/74/1293383974.db2.gz PKMKDPCGMSLMSW-PKOBYXMFSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193643510 1293384137 /nfs/dbraw/zinc/38/41/37/1293384137.db2.gz VEKUOMXZDAHHLA-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193643510 1293384143 /nfs/dbraw/zinc/38/41/43/1293384143.db2.gz VEKUOMXZDAHHLA-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001193643570 1293384219 /nfs/dbraw/zinc/38/42/19/1293384219.db2.gz WXXYICFEYRIKDV-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001193643570 1293384228 /nfs/dbraw/zinc/38/42/28/1293384228.db2.gz WXXYICFEYRIKDV-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193643706 1293384308 /nfs/dbraw/zinc/38/43/08/1293384308.db2.gz ZGRLXQOTUQDWFE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193643706 1293384316 /nfs/dbraw/zinc/38/43/16/1293384316.db2.gz ZGRLXQOTUQDWFE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193601352 1293389036 /nfs/dbraw/zinc/38/90/36/1293389036.db2.gz ZTLFNQNWENRNGU-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001193601352 1293389047 /nfs/dbraw/zinc/38/90/47/1293389047.db2.gz ZTLFNQNWENRNGU-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCCC2CCC2)CC3)C1 ZINC001016828099 1313000325 /nfs/dbraw/zinc/00/03/25/1313000325.db2.gz CLDIXSXDTBJXBH-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016828455 1313000408 /nfs/dbraw/zinc/00/04/08/1313000408.db2.gz FVGBLIIMQZURHL-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@H]2C)CC1 ZINC001016828430 1313000564 /nfs/dbraw/zinc/00/05/64/1313000564.db2.gz FFJUXGYGUNROOG-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](Cc2ccsc2)CC3)C1 ZINC001016830108 1313000889 /nfs/dbraw/zinc/00/08/89/1313000889.db2.gz PZNXHARXMOSVLI-NVXWUHKLSA-N 1 3 347.528 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016829217 1313000970 /nfs/dbraw/zinc/00/09/70/1313000970.db2.gz LKGSGWLVRKXDLJ-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001016829736 1313001033 /nfs/dbraw/zinc/00/10/33/1313001033.db2.gz NFUPUIHKXIZCSD-WMZOPIPTSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001016829731 1313001138 /nfs/dbraw/zinc/00/11/38/1313001138.db2.gz NFUPUIHKXIZCSD-AEFFLSMTSA-N 1 3 347.547 2.735 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016829228 1313001308 /nfs/dbraw/zinc/00/13/08/1313001308.db2.gz LPPNWLSSDQWGIY-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096547448 1313003737 /nfs/dbraw/zinc/00/37/37/1313003737.db2.gz PAQIACJBSAOBFG-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547448 1313003742 /nfs/dbraw/zinc/00/37/42/1313003742.db2.gz PAQIACJBSAOBFG-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547448 1313003746 /nfs/dbraw/zinc/00/37/46/1313003746.db2.gz PAQIACJBSAOBFG-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001194229110 1293547848 /nfs/dbraw/zinc/54/78/48/1293547848.db2.gz VKMGYKLKENLFMT-SFHVURJKSA-N 1 3 349.544 2.965 20 0 EFADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229439 1293549946 /nfs/dbraw/zinc/54/99/46/1293549946.db2.gz XIVKHFMYXSNLCN-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229439 1293549950 /nfs/dbraw/zinc/54/99/50/1293549950.db2.gz XIVKHFMYXSNLCN-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCC2)C1 ZINC001194266659 1293575656 /nfs/dbraw/zinc/57/56/56/1293575656.db2.gz XSKAKIYTRCXZTL-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001194266659 1293575661 /nfs/dbraw/zinc/57/56/61/1293575661.db2.gz XSKAKIYTRCXZTL-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203772398 1313011604 /nfs/dbraw/zinc/01/16/04/1313011604.db2.gz SFFABMOWJSJNBM-ROUUACIJSA-N 1 3 347.478 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001194283490 1293586792 /nfs/dbraw/zinc/58/67/92/1293586792.db2.gz CFOKLKWDFBNRBX-KRWDZBQOSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001194283490 1293586795 /nfs/dbraw/zinc/58/67/95/1293586795.db2.gz CFOKLKWDFBNRBX-KRWDZBQOSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001194283436 1293587108 /nfs/dbraw/zinc/58/71/08/1293587108.db2.gz ARHZFVCWRZOIRL-GOSISDBHSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001194283436 1293587113 /nfs/dbraw/zinc/58/71/13/1293587113.db2.gz ARHZFVCWRZOIRL-GOSISDBHSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001194292547 1293590209 /nfs/dbraw/zinc/59/02/09/1293590209.db2.gz ADDVWJMZSRKDGA-YJBOKZPZSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001194292547 1293590215 /nfs/dbraw/zinc/59/02/15/1293590215.db2.gz ADDVWJMZSRKDGA-YJBOKZPZSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001194292601 1293590897 /nfs/dbraw/zinc/59/08/97/1293590897.db2.gz AWROTYSCRBRILW-CRAIPNDOSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001194292601 1293590900 /nfs/dbraw/zinc/59/09/00/1293590900.db2.gz AWROTYSCRBRILW-CRAIPNDOSA-N 1 3 335.467 2.760 20 0 EFADHO COc1cccc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292716 1293591025 /nfs/dbraw/zinc/59/10/25/1293591025.db2.gz BUIAMIIOALVWAO-FUHWJXTLSA-N 1 3 347.503 2.629 20 0 EFADHO COc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292716 1293591029 /nfs/dbraw/zinc/59/10/29/1293591029.db2.gz BUIAMIIOALVWAO-FUHWJXTLSA-N 1 3 347.503 2.629 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001194293824 1293591770 /nfs/dbraw/zinc/59/17/70/1293591770.db2.gz JMSMAKZQLPOVSW-KXBFYZLASA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001194293824 1293591776 /nfs/dbraw/zinc/59/17/76/1293591776.db2.gz JMSMAKZQLPOVSW-KXBFYZLASA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001194295012 1293591823 /nfs/dbraw/zinc/59/18/23/1293591823.db2.gz OBNHIXDCLNASFU-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001194295012 1293591827 /nfs/dbraw/zinc/59/18/27/1293591827.db2.gz OBNHIXDCLNASFU-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001194294225 1293592294 /nfs/dbraw/zinc/59/22/94/1293592294.db2.gz LBZLUCWBGXICSM-IEBWSBKVSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001194294225 1293592299 /nfs/dbraw/zinc/59/22/99/1293592299.db2.gz LBZLUCWBGXICSM-IEBWSBKVSA-N 1 3 347.478 2.686 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296175 1293593364 /nfs/dbraw/zinc/59/33/64/1293593364.db2.gz XSFGBWZVUANKBW-FQEVSTJZSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296175 1293593368 /nfs/dbraw/zinc/59/33/68/1293593368.db2.gz XSFGBWZVUANKBW-FQEVSTJZSA-N 1 3 345.531 2.664 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001194296110 1293593712 /nfs/dbraw/zinc/59/37/12/1293593712.db2.gz WCYGSCGSILJQNF-SFHVURJKSA-N 1 3 342.487 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001194296110 1293593715 /nfs/dbraw/zinc/59/37/15/1293593715.db2.gz WCYGSCGSILJQNF-SFHVURJKSA-N 1 3 342.487 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203791804 1313016522 /nfs/dbraw/zinc/01/65/22/1313016522.db2.gz LLKLZJVBGBHEKO-ROUUACIJSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203792426 1313017015 /nfs/dbraw/zinc/01/70/15/1313017015.db2.gz PFQMZQQMVOEFHM-QZTJIDSGSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203794168 1313017512 /nfs/dbraw/zinc/01/75/12/1313017512.db2.gz VAZDRYQWFYCECP-RTBURBONSA-N 1 3 343.515 2.586 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)c1 ZINC001203794858 1313017751 /nfs/dbraw/zinc/01/77/51/1313017751.db2.gz ZMHJGBFFWFKCJN-OALUTQOASA-N 1 3 343.515 2.852 20 0 EFADHO COc1cccc(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203820092 1313024329 /nfs/dbraw/zinc/02/43/29/1313024329.db2.gz CMRDRWFHUJVFPK-TZIWHRDSSA-N 1 3 344.499 2.876 20 0 EFADHO COc1cccc(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c1 ZINC001203820092 1313024333 /nfs/dbraw/zinc/02/43/33/1313024333.db2.gz CMRDRWFHUJVFPK-TZIWHRDSSA-N 1 3 344.499 2.876 20 0 EFADHO O=C(OCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000800173729 1293941174 /nfs/dbraw/zinc/94/11/74/1293941174.db2.gz INVUAEXRJCJTLG-UHFFFAOYSA-N 1 3 330.472 2.928 20 0 EFADHO CC[C@@H](F)C[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203902657 1313044236 /nfs/dbraw/zinc/04/42/36/1313044236.db2.gz HPJKXGHNUAGYAQ-MRXNPFEDSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001195785810 1294034884 /nfs/dbraw/zinc/03/48/84/1294034884.db2.gz WJYDAQBWHXBOAU-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001195785810 1294034892 /nfs/dbraw/zinc/03/48/92/1294034892.db2.gz WJYDAQBWHXBOAU-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](CC(C)C)[NH2+]C)c1ccsc1 ZINC000884189033 1294037693 /nfs/dbraw/zinc/03/76/93/1294037693.db2.gz VGCQJLSZCLJZTG-JKSUJKDBSA-N 1 3 325.522 2.881 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CC2CC2)CCCC1)c1ccccc1 ZINC000884219498 1294053802 /nfs/dbraw/zinc/05/38/02/1294053802.db2.gz QNYUGYOVWPTJQI-YJBOKZPZSA-N 1 3 329.488 2.894 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCc2ccccc2)CC1 ZINC001203932541 1313050338 /nfs/dbraw/zinc/05/03/38/1313050338.db2.gz JKRJMHPZGGPENK-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001203932447 1313050361 /nfs/dbraw/zinc/05/03/61/1313050361.db2.gz FTLZQPSVFNZYSH-OAHLLOKOSA-N 1 3 335.467 2.808 20 0 EFADHO CC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196025628 1294109135 /nfs/dbraw/zinc/10/91/35/1294109135.db2.gz RCXYYUDDLPFBFZ-IWAYRVGRSA-N 1 3 327.488 2.557 20 0 EFADHO CC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196025628 1294109137 /nfs/dbraw/zinc/10/91/37/1294109137.db2.gz RCXYYUDDLPFBFZ-IWAYRVGRSA-N 1 3 327.488 2.557 20 0 EFADHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000884450317 1294142922 /nfs/dbraw/zinc/14/29/22/1294142922.db2.gz FBFPBYIXEWRGAY-HUUCEWRRSA-N 1 3 343.393 2.552 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016950012 1313055991 /nfs/dbraw/zinc/05/59/91/1313055991.db2.gz IGINKVLQDIRUIT-QGZVFWFLSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016952399 1313056654 /nfs/dbraw/zinc/05/66/54/1313056654.db2.gz VKMHJOCMKYIAIU-SFHVURJKSA-N 1 3 342.487 2.732 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001196339671 1294202845 /nfs/dbraw/zinc/20/28/45/1294202845.db2.gz BJMIQNHETKRQTA-HNNXBMFYSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001196339671 1294202848 /nfs/dbraw/zinc/20/28/48/1294202848.db2.gz BJMIQNHETKRQTA-HNNXBMFYSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001196339671 1294202854 /nfs/dbraw/zinc/20/28/54/1294202854.db2.gz BJMIQNHETKRQTA-HNNXBMFYSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001196339671 1294202858 /nfs/dbraw/zinc/20/28/58/1294202858.db2.gz BJMIQNHETKRQTA-HNNXBMFYSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC001196339677 1294203517 /nfs/dbraw/zinc/20/35/17/1294203517.db2.gz BJMIQNHETKRQTA-OAHLLOKOSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001196339677 1294203500 /nfs/dbraw/zinc/20/35/00/1294203500.db2.gz BJMIQNHETKRQTA-OAHLLOKOSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001196339677 1294203507 /nfs/dbraw/zinc/20/35/07/1294203507.db2.gz BJMIQNHETKRQTA-OAHLLOKOSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC001196339677 1294203513 /nfs/dbraw/zinc/20/35/13/1294203513.db2.gz BJMIQNHETKRQTA-OAHLLOKOSA-N 1 3 345.478 2.686 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388259 1294220488 /nfs/dbraw/zinc/22/04/88/1294220488.db2.gz GCLFZUJUBMWMFW-VOFKWLDRSA-N 1 3 335.536 2.997 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388259 1294220489 /nfs/dbraw/zinc/22/04/89/1294220489.db2.gz GCLFZUJUBMWMFW-VOFKWLDRSA-N 1 3 335.536 2.997 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619508 1294308697 /nfs/dbraw/zinc/30/86/97/1294308697.db2.gz DCLPISQNEJFZDH-GNAXCBTBSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001196944176 1294419264 /nfs/dbraw/zinc/41/92/64/1294419264.db2.gz ZWYBKDIONJVHHA-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO C[NH+](C)CCC(=O)N1CCCN(Cc2ccc3ccccc3c2)CC1 ZINC001197049935 1294439811 /nfs/dbraw/zinc/43/98/11/1294439811.db2.gz ZOECETWQVANOBF-UHFFFAOYSA-N 1 3 339.483 2.826 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN(C)C1CCC1 ZINC000958790930 1294489107 /nfs/dbraw/zinc/48/91/07/1294489107.db2.gz KIPCMGALYDYDFZ-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCC1 ZINC000958794889 1294494548 /nfs/dbraw/zinc/49/45/48/1294494548.db2.gz OQEIRSBAXAJQQW-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000958798431 1294498392 /nfs/dbraw/zinc/49/83/92/1294498392.db2.gz FIIQXDRJKVBNEF-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1)N(C)C ZINC000958798171 1294498478 /nfs/dbraw/zinc/49/84/78/1294498478.db2.gz BTFBNHZXDQBIOE-WOJBJXKFSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CCC[C@@H]1C ZINC000958803129 1294503716 /nfs/dbraw/zinc/50/37/16/1294503716.db2.gz MXUXYTVMRCSEGR-LPHOPBHVSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CCC1)N(C)C ZINC000958803210 1294504340 /nfs/dbraw/zinc/50/43/40/1294504340.db2.gz OWAZHTJJNIYVKK-PMACEKPBSA-N 1 3 343.515 2.842 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCCN1CC ZINC000958809075 1294511981 /nfs/dbraw/zinc/51/19/81/1294511981.db2.gz BBAVWYLJUJFWTH-OALUTQOASA-N 1 3 329.488 2.596 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]C(C)C ZINC000958810132 1294513452 /nfs/dbraw/zinc/51/34/52/1294513452.db2.gz NOCCIUFUQQYYAR-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C[NH2+]C(C)C ZINC000958810139 1294513557 /nfs/dbraw/zinc/51/35/57/1294513557.db2.gz NOCCIUFUQQYYAR-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)C(C)C ZINC001197484674 1294565011 /nfs/dbraw/zinc/56/50/11/1294565011.db2.gz HYDGGGRPAQSQLI-IAGOWNOFSA-N 1 3 329.504 2.635 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001197705495 1294678597 /nfs/dbraw/zinc/67/85/97/1294678597.db2.gz AFRVUYPQEGCSCQ-LJQANCHMSA-N 1 3 329.488 2.550 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001197705495 1294678608 /nfs/dbraw/zinc/67/86/08/1294678608.db2.gz AFRVUYPQEGCSCQ-LJQANCHMSA-N 1 3 329.488 2.550 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(CCCc2cccc(F)c2)CC1 ZINC001197706393 1294680855 /nfs/dbraw/zinc/68/08/55/1294680855.db2.gz HHCWQNPIMOTDKV-UHFFFAOYSA-N 1 3 349.494 2.634 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(CCCc2cccc(F)c2)CC1 ZINC001197706393 1294680866 /nfs/dbraw/zinc/68/08/66/1294680866.db2.gz HHCWQNPIMOTDKV-UHFFFAOYSA-N 1 3 349.494 2.634 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197810024 1294727120 /nfs/dbraw/zinc/72/71/20/1294727120.db2.gz QGOTVYJWGDHEPY-YSKLNCTFSA-N 1 3 335.536 2.997 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC001197871604 1294756234 /nfs/dbraw/zinc/75/62/34/1294756234.db2.gz TVBUVETYCOKMQS-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO CC1(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CCOCC1 ZINC001276448289 1313101819 /nfs/dbraw/zinc/10/18/19/1313101819.db2.gz LFEXSYZJDKZTHN-HDICACEKSA-N 1 3 331.504 2.975 20 0 EFADHO CC1(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)CCOCC1 ZINC001276448289 1313101822 /nfs/dbraw/zinc/10/18/22/1313101822.db2.gz LFEXSYZJDKZTHN-HDICACEKSA-N 1 3 331.504 2.975 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001197908000 1294795777 /nfs/dbraw/zinc/79/57/77/1294795777.db2.gz OXLTVRWORGYKKU-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN(Cc2cccc(C)c2)CC1 ZINC001197908000 1294795786 /nfs/dbraw/zinc/79/57/86/1294795786.db2.gz OXLTVRWORGYKKU-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)c1ccccc1CN(C)C)c1ccccc1 ZINC001152384548 1294823889 /nfs/dbraw/zinc/82/38/89/1294823889.db2.gz TULLVCGYLVRFJP-INIZCTEOSA-N 1 3 325.456 2.829 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)c2ccccc2CN(C)C)cc1C ZINC001152393456 1294863393 /nfs/dbraw/zinc/86/33/93/1294863393.db2.gz OTLZDSFRRWCSLH-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)C1 ZINC001198097720 1294876120 /nfs/dbraw/zinc/87/61/20/1294876120.db2.gz FURKIMNPBYGVOK-CSBXVMIQSA-N 1 3 341.499 2.576 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)C1 ZINC001198097720 1294876129 /nfs/dbraw/zinc/87/61/29/1294876129.db2.gz FURKIMNPBYGVOK-CSBXVMIQSA-N 1 3 341.499 2.576 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629754 1313109104 /nfs/dbraw/zinc/10/91/04/1313109104.db2.gz LTSBVURJSGCJII-QZTJIDSGSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629754 1313109107 /nfs/dbraw/zinc/10/91/07/1313109107.db2.gz LTSBVURJSGCJII-QZTJIDSGSA-N 1 3 333.520 2.892 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001234345408 1313109515 /nfs/dbraw/zinc/10/95/15/1313109515.db2.gz HUJAZCANRZBECV-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]2CN(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001234345408 1313109519 /nfs/dbraw/zinc/10/95/19/1313109519.db2.gz HUJAZCANRZBECV-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629637 1313109671 /nfs/dbraw/zinc/10/96/71/1313109671.db2.gz LIDIHLDEANHQAP-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629637 1313109674 /nfs/dbraw/zinc/10/96/74/1313109674.db2.gz LIDIHLDEANHQAP-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO COc1ccc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903718832 1313113215 /nfs/dbraw/zinc/11/32/15/1313113215.db2.gz RLPUTDOBLJNXKD-LJQANCHMSA-N 1 3 330.472 2.818 20 0 EFADHO COc1cc(C)c(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000903719456 1313114287 /nfs/dbraw/zinc/11/42/87/1313114287.db2.gz ZYBAWNYAIWOFIC-QGZVFWFLSA-N 1 3 348.487 2.603 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+]1CCCC1 ZINC001198259549 1294960008 /nfs/dbraw/zinc/96/00/08/1294960008.db2.gz QGUDQXKLMUHTQS-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001152446421 1295030403 /nfs/dbraw/zinc/03/04/03/1295030403.db2.gz YLIGRUTUQZAGSR-GFCCVEGCSA-N 1 3 329.847 2.586 20 0 EFADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234416283 1313123920 /nfs/dbraw/zinc/12/39/20/1313123920.db2.gz ZQPNFTUUEUDMMG-VXARMHRZSA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234416283 1313123923 /nfs/dbraw/zinc/12/39/23/1313123923.db2.gz ZQPNFTUUEUDMMG-VXARMHRZSA-N 1 3 335.536 2.996 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1OC ZINC001198759997 1295237264 /nfs/dbraw/zinc/23/72/64/1295237264.db2.gz OUCJPCAKUVQORM-HKUYNNGSSA-N 1 3 347.503 2.582 20 0 EFADHO c1ccc2c(c1)COC21CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734723 1313138827 /nfs/dbraw/zinc/13/88/27/1313138827.db2.gz VHNXGSIMANEVDI-SFHVURJKSA-N 1 3 342.483 2.667 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)CCc1ccccc1 ZINC000887134100 1295289174 /nfs/dbraw/zinc/28/91/74/1295289174.db2.gz BYLNIFLTOZFQAB-YLJYHZDGSA-N 1 3 325.456 2.586 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895452 1295296863 /nfs/dbraw/zinc/29/68/63/1295296863.db2.gz RGJLKOUKBCBVGZ-ROUUACIJSA-N 1 3 349.519 2.973 20 0 EFADHO CCCN[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895451 1295296942 /nfs/dbraw/zinc/29/69/42/1295296942.db2.gz RGJLKOUKBCBVGZ-QZTJIDSGSA-N 1 3 349.519 2.973 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902752 1295304433 /nfs/dbraw/zinc/30/44/33/1295304433.db2.gz OILVOFDXFZHEPI-SJORKVTESA-N 1 3 335.492 2.582 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1OC ZINC001198903209 1295306698 /nfs/dbraw/zinc/30/66/98/1295306698.db2.gz WRNFYXZDELBFEG-SJLPKXTDSA-N 1 3 347.503 2.584 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(C)C ZINC001198865936 1295308735 /nfs/dbraw/zinc/30/87/35/1295308735.db2.gz PLIILHLRZWRHOB-BQFCYCMXSA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(C)C ZINC001198865936 1295308744 /nfs/dbraw/zinc/30/87/44/1295308744.db2.gz PLIILHLRZWRHOB-BQFCYCMXSA-N 1 3 347.503 2.581 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](NCC1CCC1)c1ccccc1OC ZINC001198953585 1295353654 /nfs/dbraw/zinc/35/36/54/1295353654.db2.gz QVPRKORXVGQQIU-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCC1CCC1)c1ccccc1OC ZINC001198953585 1295353662 /nfs/dbraw/zinc/35/36/62/1295353662.db2.gz QVPRKORXVGQQIU-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC001198968487 1295365904 /nfs/dbraw/zinc/36/59/04/1295365904.db2.gz MIMMIRQEOYEMFW-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1C ZINC001203925094 1295407943 /nfs/dbraw/zinc/40/79/43/1295407943.db2.gz KJCPCAFQVJEMGH-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)c1cccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)n1 ZINC001203925112 1295410898 /nfs/dbraw/zinc/41/08/98/1295410898.db2.gz LDEXEZONJQABMX-UHFFFAOYSA-N 1 3 346.519 2.626 20 0 EFADHO Cc1nn(C)cc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001204578743 1313168066 /nfs/dbraw/zinc/16/80/66/1313168066.db2.gz HLTSIMHYTUBRDN-UHFFFAOYSA-N 1 3 339.487 2.612 20 0 EFADHO Cc1nn(C)cc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001204578743 1313168068 /nfs/dbraw/zinc/16/80/68/1313168068.db2.gz HLTSIMHYTUBRDN-UHFFFAOYSA-N 1 3 339.487 2.612 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001234643337 1313176390 /nfs/dbraw/zinc/17/63/90/1313176390.db2.gz OEGIESUMWVKGCM-HOTGVXAUSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001234643337 1313176393 /nfs/dbraw/zinc/17/63/93/1313176393.db2.gz OEGIESUMWVKGCM-HOTGVXAUSA-N 1 3 329.504 2.635 20 0 EFADHO CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643927 1313176563 /nfs/dbraw/zinc/17/65/63/1313176563.db2.gz RJBMQOGPLJAGTN-IRXDYDNUSA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643927 1313176566 /nfs/dbraw/zinc/17/65/66/1313176566.db2.gz RJBMQOGPLJAGTN-IRXDYDNUSA-N 1 3 329.504 2.779 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)CC1 ZINC001049687915 1313180156 /nfs/dbraw/zinc/18/01/56/1313180156.db2.gz OTNJBUJZHGZLHF-ZWKOTPCHSA-N 1 3 347.528 2.655 20 0 EFADHO COc1ccc([C@@H]2CCCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1F ZINC000903767060 1313180630 /nfs/dbraw/zinc/18/06/30/1313180630.db2.gz STJSLHPALQDWDX-IEZWGBDMSA-N 1 3 334.435 2.740 20 0 EFADHO COc1ccc([C@@H]2CCCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1F ZINC000903767055 1313180642 /nfs/dbraw/zinc/18/06/42/1313180642.db2.gz STJSLHPALQDWDX-AYBZRNKSSA-N 1 3 334.435 2.740 20 0 EFADHO Fc1ccc([C@@H]2CCCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1F ZINC000903770274 1313183799 /nfs/dbraw/zinc/18/37/99/1313183799.db2.gz WGAYDQGVJDFLQU-JTDSTZFVSA-N 1 3 336.426 2.913 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017125777 1313185462 /nfs/dbraw/zinc/18/54/62/1313185462.db2.gz FIYYGNIMPDHTBC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017125777 1313185465 /nfs/dbraw/zinc/18/54/65/1313185465.db2.gz FIYYGNIMPDHTBC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000803811961 1313186324 /nfs/dbraw/zinc/18/63/24/1313186324.db2.gz XZMGFZQGUCNPMV-LJQANCHMSA-N 1 3 347.503 2.680 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049704024 1313200716 /nfs/dbraw/zinc/20/07/16/1313200716.db2.gz OEOKBMPWJPNRPZ-HSALFYBXSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049704024 1313200717 /nfs/dbraw/zinc/20/07/17/1313200717.db2.gz OEOKBMPWJPNRPZ-HSALFYBXSA-N 1 3 343.515 2.838 20 0 EFADHO CCOC(=O)c1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)c[nH]1 ZINC001234947966 1313211021 /nfs/dbraw/zinc/21/10/21/1313211021.db2.gz YDEVNLFVNKEJJU-UHFFFAOYSA-N 1 3 333.476 2.745 20 0 EFADHO CC(C)=CCN1CC[C@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274270481 1296050928 /nfs/dbraw/zinc/05/09/28/1296050928.db2.gz UGSKNUKYXTXAOC-FQEVSTJZSA-N 1 3 338.455 2.954 20 0 EFADHO CC(C)=CCN1CC[C@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274270481 1296050938 /nfs/dbraw/zinc/05/09/38/1296050938.db2.gz UGSKNUKYXTXAOC-FQEVSTJZSA-N 1 3 338.455 2.954 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001276478563 1313218219 /nfs/dbraw/zinc/21/82/19/1313218219.db2.gz GHMNXKXHRKZUQM-FQEVSTJZSA-N 1 3 333.495 2.718 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001276478563 1313218222 /nfs/dbraw/zinc/21/82/22/1313218222.db2.gz GHMNXKXHRKZUQM-FQEVSTJZSA-N 1 3 333.495 2.718 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC000959848637 1296137688 /nfs/dbraw/zinc/13/76/88/1296137688.db2.gz JYZDIPUNPUEBDY-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000959848637 1296137692 /nfs/dbraw/zinc/13/76/92/1296137692.db2.gz JYZDIPUNPUEBDY-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235003292 1313221028 /nfs/dbraw/zinc/22/10/28/1313221028.db2.gz VWHHJISIXXOCPO-SCWSEQNSSA-N 1 3 330.516 2.676 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)N1CCCCC1 ZINC000959867737 1296166604 /nfs/dbraw/zinc/16/66/04/1296166604.db2.gz AQXDVPYWGXIXJI-BWTSREIZSA-N 1 3 345.531 2.798 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)N1CCCCC1 ZINC000959867737 1296166606 /nfs/dbraw/zinc/16/66/06/1296166606.db2.gz AQXDVPYWGXIXJI-BWTSREIZSA-N 1 3 345.531 2.798 20 0 EFADHO COC(=O)c1ccccc1CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793454 1313223699 /nfs/dbraw/zinc/22/36/99/1313223699.db2.gz SQNWZSBBXYHDJZ-UHFFFAOYSA-N 1 3 338.451 2.966 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N1CCCCC1 ZINC000959894590 1296203531 /nfs/dbraw/zinc/20/35/31/1296203531.db2.gz OFXYPUSCEVMMSY-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N1CCCCC1 ZINC000959894590 1296203540 /nfs/dbraw/zinc/20/35/40/1296203540.db2.gz OFXYPUSCEVMMSY-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042258 1313229616 /nfs/dbraw/zinc/22/96/16/1313229616.db2.gz XCLSZGYDGPJYEI-GOSISDBHSA-N 1 3 325.497 2.899 20 0 EFADHO Cc1ccc(Cl)nc1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001275266880 1296246377 /nfs/dbraw/zinc/24/63/77/1296246377.db2.gz XOGDXZHOHVCMOF-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC001275326184 1296256453 /nfs/dbraw/zinc/25/64/53/1296256453.db2.gz MDKZJVQZQLHSTR-NRFANRHFSA-N 1 3 343.515 2.831 20 0 EFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC001275326184 1296256468 /nfs/dbraw/zinc/25/64/68/1296256468.db2.gz MDKZJVQZQLHSTR-NRFANRHFSA-N 1 3 343.515 2.831 20 0 EFADHO CCOC(=O)c1[nH]c2cc(C)ccc2c1CN1CCC(C[NH3+])CC1 ZINC001205052764 1313226777 /nfs/dbraw/zinc/22/67/77/1313226777.db2.gz CHCZLYQXJBRRGB-UHFFFAOYSA-N 1 3 329.444 2.824 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc3ncoc3c1)C2 ZINC001275612542 1296324693 /nfs/dbraw/zinc/32/46/93/1296324693.db2.gz GZDGSPIYJQOTSK-FQEVSTJZSA-N 1 3 342.487 2.677 20 0 EFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3ncoc3c1)C2 ZINC001275612542 1296324707 /nfs/dbraw/zinc/32/47/07/1296324707.db2.gz GZDGSPIYJQOTSK-FQEVSTJZSA-N 1 3 342.487 2.677 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC000960009314 1296353496 /nfs/dbraw/zinc/35/34/96/1296353496.db2.gz ZMCZRFLBEUNIOW-BPQIPLTHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC000960009314 1296353507 /nfs/dbraw/zinc/35/35/07/1296353507.db2.gz ZMCZRFLBEUNIOW-BPQIPLTHSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)cc1 ZINC000960021537 1296368853 /nfs/dbraw/zinc/36/88/53/1296368853.db2.gz CZPFJZCQKCULCK-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235135594 1313250332 /nfs/dbraw/zinc/25/03/32/1313250332.db2.gz OMCMTZNEXFDHDY-UHFFFAOYSA-N 1 3 346.471 2.838 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC000960042794 1296395888 /nfs/dbraw/zinc/39/58/88/1296395888.db2.gz IXRYCDUFEPDWEQ-OWCLPIDISA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC000960130414 1296489598 /nfs/dbraw/zinc/48/95/98/1296489598.db2.gz GTKCLCAEFSQNLO-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2)C1 ZINC000960130013 1296489662 /nfs/dbraw/zinc/48/96/62/1296489662.db2.gz CYRYWAVDYLZAFI-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000960131039 1296489685 /nfs/dbraw/zinc/48/96/85/1296489685.db2.gz LWHMXJAEXYXGBP-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC000960130415 1296490025 /nfs/dbraw/zinc/49/00/25/1296490025.db2.gz GTKCLCAEFSQNLO-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960130439 1296490324 /nfs/dbraw/zinc/49/03/24/1296490324.db2.gz HKFIWHWKGBOMPK-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC000960131666 1296491908 /nfs/dbraw/zinc/49/19/08/1296491908.db2.gz UOHPKLLZDIQBOT-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC000960150694 1296512732 /nfs/dbraw/zinc/51/27/32/1296512732.db2.gz LQAGQFUXHLPQLX-IBGZPJMESA-N 1 3 340.471 2.686 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001017210165 1313268220 /nfs/dbraw/zinc/26/82/20/1313268220.db2.gz XGTWUCYPVSRJSJ-JLAWEPINSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001017210165 1313268223 /nfs/dbraw/zinc/26/82/23/1313268223.db2.gz XGTWUCYPVSRJSJ-JLAWEPINSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017212809 1313268444 /nfs/dbraw/zinc/26/84/44/1313268444.db2.gz ORGNSYGNQOAJDP-MOPGFXCFSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017212809 1313268449 /nfs/dbraw/zinc/26/84/49/1313268449.db2.gz ORGNSYGNQOAJDP-MOPGFXCFSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017212752 1313268732 /nfs/dbraw/zinc/26/87/32/1313268732.db2.gz OMCISTNHNCNLCO-HKUYNNGSSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017212752 1313268736 /nfs/dbraw/zinc/26/87/36/1313268736.db2.gz OMCISTNHNCNLCO-HKUYNNGSSA-N 1 3 349.494 2.836 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960188585 1296556571 /nfs/dbraw/zinc/55/65/71/1296556571.db2.gz ORLIUSGANDICIK-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960188585 1296556579 /nfs/dbraw/zinc/55/65/79/1296556579.db2.gz ORLIUSGANDICIK-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCCC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000068130280 1296557462 /nfs/dbraw/zinc/55/74/62/1296557462.db2.gz ZTNBTCZEBDKDLE-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc2[nH]cc(CN3CC4(C3)CC[N@@H+](CCN(C)C)C4)c2c1 ZINC001276054689 1296583452 /nfs/dbraw/zinc/58/34/52/1296583452.db2.gz LYJRYOSPKIPMAW-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO Cc1ccc2[nH]cc(CN3CC4(C3)CC[N@H+](CCN(C)C)C4)c2c1 ZINC001276054689 1296583463 /nfs/dbraw/zinc/58/34/63/1296583463.db2.gz LYJRYOSPKIPMAW-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO Cc1n[nH]cc1CN1CCC2(CC[N@H+](Cc3scnc3C)C2)CC1 ZINC001276067774 1296587272 /nfs/dbraw/zinc/58/72/72/1296587272.db2.gz IKFARJJVDFYQGE-UHFFFAOYSA-N 1 3 345.516 2.971 20 0 EFADHO Cc1n[nH]cc1CN1CCC2(CC[N@@H+](Cc3scnc3C)C2)CC1 ZINC001276067774 1296587285 /nfs/dbraw/zinc/58/72/85/1296587285.db2.gz IKFARJJVDFYQGE-UHFFFAOYSA-N 1 3 345.516 2.971 20 0 EFADHO Cc1n[nH]cc1C[NH2+][C@@]12CC[C@@](NCc3cccc(=O)[nH]3)(C1)CCC2 ZINC001276068119 1296588947 /nfs/dbraw/zinc/58/89/47/1296588947.db2.gz KWDOUSXOYPFYLG-RBUKOAKNSA-N 1 3 341.459 2.544 20 0 EFADHO Cc1n[nH]cc1CN[C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001276068119 1296588960 /nfs/dbraw/zinc/58/89/60/1296588960.db2.gz KWDOUSXOYPFYLG-RBUKOAKNSA-N 1 3 341.459 2.544 20 0 EFADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235259258 1313276846 /nfs/dbraw/zinc/27/68/46/1313276846.db2.gz CKWPTZLPYGNIPI-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259258 1313276850 /nfs/dbraw/zinc/27/68/50/1313276850.db2.gz CKWPTZLPYGNIPI-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001049768755 1313279570 /nfs/dbraw/zinc/27/95/70/1313279570.db2.gz ZSFGMQYDSPDBHO-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCCC1 ZINC001049768755 1313279573 /nfs/dbraw/zinc/27/95/73/1313279573.db2.gz ZSFGMQYDSPDBHO-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccncc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276197963 1296646366 /nfs/dbraw/zinc/64/63/66/1296646366.db2.gz SJICWWNUZIVWKW-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ccncc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276197963 1296646383 /nfs/dbraw/zinc/64/63/83/1296646383.db2.gz SJICWWNUZIVWKW-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001201239694 1296647053 /nfs/dbraw/zinc/64/70/53/1296647053.db2.gz LNUSWVZLSSCOMN-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO Cn1ccnc1CN1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001276228879 1296665369 /nfs/dbraw/zinc/66/53/69/1296665369.db2.gz AXUNSXCBNANZNI-GASCZTMLSA-N 1 3 344.425 2.906 20 0 EFADHO Cn1ccnc1CN1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001276228879 1296665383 /nfs/dbraw/zinc/66/53/83/1296665383.db2.gz AXUNSXCBNANZNI-GASCZTMLSA-N 1 3 344.425 2.906 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC000960263368 1296669511 /nfs/dbraw/zinc/66/95/11/1296669511.db2.gz VVHHATDKUZCZEX-HSALFYBXSA-N 1 3 341.499 2.641 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCCC(=O)OC(C)(C)C)C1 ZINC001459628759 1296670485 /nfs/dbraw/zinc/67/04/85/1296670485.db2.gz PGIQMAYOYMTGGX-INIZCTEOSA-N 1 3 328.497 2.541 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436681 1313288639 /nfs/dbraw/zinc/28/86/39/1313288639.db2.gz BEFKHFWOARGWJW-ZWKOTPCHSA-N 1 3 349.494 2.708 20 0 EFADHO Cc1cccnc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276257317 1296689161 /nfs/dbraw/zinc/68/91/61/1296689161.db2.gz GWKJDEQFIHDKNC-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1cccnc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276257317 1296689173 /nfs/dbraw/zinc/68/91/73/1296689173.db2.gz GWKJDEQFIHDKNC-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO CCC/C=C\CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205460930 1313293518 /nfs/dbraw/zinc/29/35/18/1313293518.db2.gz ARSCMBAQAGFWOL-RURPWVQCSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]1CC1(C)C ZINC001413011035 1296724906 /nfs/dbraw/zinc/72/49/06/1296724906.db2.gz LVLCBUYVPIECMC-BZSNNMDCSA-N 1 3 331.504 2.820 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469707 1313295708 /nfs/dbraw/zinc/29/57/08/1313295708.db2.gz UTDNWJSQAFEMED-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001201321918 1296727011 /nfs/dbraw/zinc/72/70/11/1296727011.db2.gz XOQSSXNSKSXDDH-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001205516175 1313303734 /nfs/dbraw/zinc/30/37/34/1313303734.db2.gz RNYNZPCVNTWEDJ-HXUWFJFHSA-N 1 3 345.531 2.706 20 0 EFADHO C[N@@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001017259857 1313304498 /nfs/dbraw/zinc/30/44/98/1313304498.db2.gz IJAGNPYRFRCMCU-KRWDZBQOSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001017259857 1313304500 /nfs/dbraw/zinc/30/45/00/1313304500.db2.gz IJAGNPYRFRCMCU-KRWDZBQOSA-N 1 3 347.478 2.592 20 0 EFADHO CCn1cc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001205532844 1313307152 /nfs/dbraw/zinc/30/71/52/1313307152.db2.gz IMDUIPMRHSQMSH-UHFFFAOYSA-N 1 3 339.487 2.786 20 0 EFADHO CCn1cc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cn1 ZINC001205532844 1313307156 /nfs/dbraw/zinc/30/71/56/1313307156.db2.gz IMDUIPMRHSQMSH-UHFFFAOYSA-N 1 3 339.487 2.786 20 0 EFADHO CC(C)(C)C(=O)Nc1cnccc1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205559479 1313312719 /nfs/dbraw/zinc/31/27/19/1313312719.db2.gz ROOVRHPLXGQIBG-GOSISDBHSA-N 1 3 336.455 2.719 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001205561944 1313313540 /nfs/dbraw/zinc/31/35/40/1313313540.db2.gz MVEINCHVZRPFTC-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235423317 1313317999 /nfs/dbraw/zinc/31/79/99/1313317999.db2.gz FXTPAGUNTMRMJJ-GJZGRUSLSA-N 1 3 328.460 2.783 20 0 EFADHO CCCC[C@H](CC)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201566208 1296930102 /nfs/dbraw/zinc/93/01/02/1296930102.db2.gz RREPNIBGWDAYJS-RDGPPVDQSA-N 1 3 333.524 2.889 20 0 EFADHO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201566208 1296930114 /nfs/dbraw/zinc/93/01/14/1296930114.db2.gz RREPNIBGWDAYJS-RDGPPVDQSA-N 1 3 333.524 2.889 20 0 EFADHO CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201566209 1296931707 /nfs/dbraw/zinc/93/17/07/1296931707.db2.gz RREPNIBGWDAYJS-YRXWBPOGSA-N 1 3 333.524 2.889 20 0 EFADHO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001201566209 1296931712 /nfs/dbraw/zinc/93/17/12/1296931712.db2.gz RREPNIBGWDAYJS-YRXWBPOGSA-N 1 3 333.524 2.889 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477126 1297065448 /nfs/dbraw/zinc/06/54/48/1297065448.db2.gz GYPPNVFOENWZQG-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477126 1297065458 /nfs/dbraw/zinc/06/54/58/1297065458.db2.gz GYPPNVFOENWZQG-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235511923 1313340195 /nfs/dbraw/zinc/34/01/95/1313340195.db2.gz HPETVYUQFCYLFG-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235511923 1313340199 /nfs/dbraw/zinc/34/01/99/1313340199.db2.gz HPETVYUQFCYLFG-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512220 1313340335 /nfs/dbraw/zinc/34/03/35/1313340335.db2.gz HPETVYUQFCYLFG-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512220 1313340337 /nfs/dbraw/zinc/34/03/37/1313340337.db2.gz HPETVYUQFCYLFG-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000960484683 1297085739 /nfs/dbraw/zinc/08/57/39/1297085739.db2.gz AHUIMLYROLLXPI-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000960484683 1297085747 /nfs/dbraw/zinc/08/57/47/1297085747.db2.gz AHUIMLYROLLXPI-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960486114 1297087848 /nfs/dbraw/zinc/08/78/48/1297087848.db2.gz HMDSLFNRNGGZNA-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960486114 1297087863 /nfs/dbraw/zinc/08/78/63/1297087863.db2.gz HMDSLFNRNGGZNA-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960487676 1297096827 /nfs/dbraw/zinc/09/68/27/1297096827.db2.gz NVRZYSRBLOLXFW-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960487676 1297096844 /nfs/dbraw/zinc/09/68/44/1297096844.db2.gz NVRZYSRBLOLXFW-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC000960490289 1297100261 /nfs/dbraw/zinc/10/02/61/1297100261.db2.gz WUBLZRKWMCVFNC-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC000960490289 1297100264 /nfs/dbraw/zinc/10/02/64/1297100264.db2.gz WUBLZRKWMCVFNC-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC000960491329 1297101457 /nfs/dbraw/zinc/10/14/57/1297101457.db2.gz ZWFDRNHYDYEGOC-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC000960491329 1297101469 /nfs/dbraw/zinc/10/14/69/1297101469.db2.gz ZWFDRNHYDYEGOC-WOJBJXKFSA-N 1 3 343.515 2.820 20 0 EFADHO Fc1ccc(C[C@@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903887061 1313352404 /nfs/dbraw/zinc/35/24/04/1313352404.db2.gz WYRSFUASGCHXFQ-ROUUACIJSA-N 1 3 343.450 2.549 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000929563461 1297191867 /nfs/dbraw/zinc/19/18/67/1297191867.db2.gz NZARBCNYGOKQPZ-UHFFFAOYSA-N 1 3 330.476 2.887 20 0 EFADHO FC(F)(F)[C@H]1CCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001235658732 1313367825 /nfs/dbraw/zinc/36/78/25/1313367825.db2.gz AOGOAADLCDHGND-KRWDZBQOSA-N 1 3 341.421 2.866 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC000960644723 1297355112 /nfs/dbraw/zinc/35/51/12/1297355112.db2.gz YMMHZPSYLIVWFM-BPQIPLTHSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000960644723 1297355123 /nfs/dbraw/zinc/35/51/23/1297355123.db2.gz YMMHZPSYLIVWFM-BPQIPLTHSA-N 1 3 349.544 2.820 20 0 EFADHO [NH3+]CCCCCN1CCN(Cc2cccc(Br)c2)CC1 ZINC001235690151 1313375725 /nfs/dbraw/zinc/37/57/25/1313375725.db2.gz LJDPLFRMCJFTNL-UHFFFAOYSA-N 1 3 340.309 2.696 20 0 EFADHO COC(=O)CCN(Cc1cc2c(s1)C[NH2+]CC2)Cc1ccccc1 ZINC001235693680 1313376621 /nfs/dbraw/zinc/37/66/21/1313376621.db2.gz YYTVYDMPHORHNT-UHFFFAOYSA-N 1 3 344.480 2.959 20 0 EFADHO Fc1ccccc1CN1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235691539 1313376640 /nfs/dbraw/zinc/37/66/40/1313376640.db2.gz KGVVKQHOKJXIMS-UHFFFAOYSA-N 1 3 331.479 2.723 20 0 EFADHO C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903899395 1313377559 /nfs/dbraw/zinc/37/75/59/1313377559.db2.gz UGFZQBPQLFNZOY-AYBZRNKSSA-N 1 3 325.460 2.581 20 0 EFADHO CC(C)OCCN(CCOC(C)C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235695351 1313377840 /nfs/dbraw/zinc/37/78/40/1313377840.db2.gz QZAIHDYVSJIMEP-UHFFFAOYSA-N 1 3 334.504 2.984 20 0 EFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235694231 1313377963 /nfs/dbraw/zinc/37/79/63/1313377963.db2.gz ADDAXKPPIHSMCJ-CQSZACIVSA-N 1 3 336.501 2.948 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC000960666320 1297392875 /nfs/dbraw/zinc/39/28/75/1297392875.db2.gz BXPBGJVYJBCTID-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC000960666320 1297392889 /nfs/dbraw/zinc/39/28/89/1297392889.db2.gz BXPBGJVYJBCTID-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903896225 1313370631 /nfs/dbraw/zinc/37/06/31/1313370631.db2.gz UHDFQEPWHUMHHV-RCCFBDPRSA-N 1 3 339.487 2.889 20 0 EFADHO CCCCCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235721549 1313383589 /nfs/dbraw/zinc/38/35/89/1313383589.db2.gz FWTZCTFGMGPVFM-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC000960680146 1297415771 /nfs/dbraw/zinc/41/57/71/1297415771.db2.gz KZUSKEJWDFBPNI-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC000960680146 1297415773 /nfs/dbraw/zinc/41/57/73/1297415773.db2.gz KZUSKEJWDFBPNI-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960692432 1297426186 /nfs/dbraw/zinc/42/61/86/1297426186.db2.gz ZMRJKZNPAUQJJQ-MSOLQXFVSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960692432 1297426192 /nfs/dbraw/zinc/42/61/92/1297426192.db2.gz ZMRJKZNPAUQJJQ-MSOLQXFVSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850773 1313386192 /nfs/dbraw/zinc/38/61/92/1313386192.db2.gz UKHFGTMCOZXSQD-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850773 1313386194 /nfs/dbraw/zinc/38/61/94/1313386194.db2.gz UKHFGTMCOZXSQD-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCC2)CCC1 ZINC000960695208 1297431876 /nfs/dbraw/zinc/43/18/76/1297431876.db2.gz ZLZXPZJDFWBMJT-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCC2)CCC1 ZINC000960695208 1297431880 /nfs/dbraw/zinc/43/18/80/1297431880.db2.gz ZLZXPZJDFWBMJT-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO FC(F)Oc1cc(CN2CCC(C3CC[NH2+]CC3)CC2)ccn1 ZINC001235703518 1313380809 /nfs/dbraw/zinc/38/08/09/1313380809.db2.gz XBSUBRZUQZDDLR-UHFFFAOYSA-N 1 3 325.403 2.895 20 0 EFADHO FC(F)Oc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cn1 ZINC001235705872 1313381173 /nfs/dbraw/zinc/38/11/73/1313381173.db2.gz NDNQLUWVIGQVDQ-UHFFFAOYSA-N 1 3 325.403 2.895 20 0 EFADHO C[C@@H]1CN(Cc2cc(O)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205995954 1313388521 /nfs/dbraw/zinc/38/85/21/1313388521.db2.gz SFXZTBNZYVJTEG-VXGBXAGGSA-N 1 3 327.266 2.962 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001211256315 1314463928 /nfs/dbraw/zinc/46/39/28/1314463928.db2.gz CVTOUHOQBWIRDB-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1cnc(CN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Br)c1 ZINC001206012621 1313391556 /nfs/dbraw/zinc/39/15/56/1313391556.db2.gz NAPCYSWDMWCEFO-CHWSQXEVSA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908511 1313393205 /nfs/dbraw/zinc/39/32/05/1313393205.db2.gz KGZQAZNOVVCNDD-QRQLOZEOSA-N 1 3 339.487 2.656 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cnn1C ZINC000903909326 1313394479 /nfs/dbraw/zinc/39/44/79/1313394479.db2.gz TYUQBLTXXQUROF-SXLOBPIMSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cnn1C ZINC000903909326 1313394482 /nfs/dbraw/zinc/39/44/82/1313394482.db2.gz TYUQBLTXXQUROF-SXLOBPIMSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1ncc(Br)cc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206035546 1313394580 /nfs/dbraw/zinc/39/45/80/1313394580.db2.gz CIRYLIWZWHWLPR-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ccc([C@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903910311 1313397265 /nfs/dbraw/zinc/39/72/65/1313397265.db2.gz LLGRZVMQRARNOZ-ROUUACIJSA-N 1 3 325.460 2.501 20 0 EFADHO Cc1cccc([C@@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903915043 1313406995 /nfs/dbraw/zinc/40/69/95/1313406995.db2.gz XOAWYQTYDAJULE-MSOLQXFVSA-N 1 3 325.460 2.501 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549016 1313408343 /nfs/dbraw/zinc/40/83/43/1313408343.db2.gz BLZCOOZHSDYKMD-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549016 1313408346 /nfs/dbraw/zinc/40/83/46/1313408346.db2.gz BLZCOOZHSDYKMD-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017553323 1313410813 /nfs/dbraw/zinc/41/08/13/1313410813.db2.gz MERSPNQMOUFIEZ-QCRHNUIXSA-N 1 3 333.520 2.581 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017553323 1313410815 /nfs/dbraw/zinc/41/08/15/1313410815.db2.gz MERSPNQMOUFIEZ-QCRHNUIXSA-N 1 3 333.520 2.581 20 0 EFADHO CCOCCN(CCOCC)Cc1cn2c3c1cccc3C[NH2+]CC2 ZINC001235866186 1313412504 /nfs/dbraw/zinc/41/25/04/1313412504.db2.gz VZQVZJVMWCAGAI-UHFFFAOYSA-N 1 3 345.487 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC000960861747 1297712855 /nfs/dbraw/zinc/71/28/55/1297712855.db2.gz HYNMSOJPNZDMHK-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC000960861747 1297712862 /nfs/dbraw/zinc/71/28/62/1297712862.db2.gz HYNMSOJPNZDMHK-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864771 1297717566 /nfs/dbraw/zinc/71/75/66/1297717566.db2.gz PGQSDXYKGUVNRB-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864771 1297717575 /nfs/dbraw/zinc/71/75/75/1297717575.db2.gz PGQSDXYKGUVNRB-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(Cc1ccsc1)C[C@@H]1CCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000960866198 1297720980 /nfs/dbraw/zinc/72/09/80/1297720980.db2.gz SEWMPMKVGXUGKM-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO CN(Cc1ccsc1)C[C@@H]1CCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000960866198 1297720988 /nfs/dbraw/zinc/72/09/88/1297720988.db2.gz SEWMPMKVGXUGKM-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867332 1297723577 /nfs/dbraw/zinc/72/35/77/1297723577.db2.gz WBMRXCRKTFCGFI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867332 1297723589 /nfs/dbraw/zinc/72/35/89/1297723589.db2.gz WBMRXCRKTFCGFI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960867448 1297724766 /nfs/dbraw/zinc/72/47/66/1297724766.db2.gz XBMKQDLJPYCBLZ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960867448 1297724771 /nfs/dbraw/zinc/72/47/71/1297724771.db2.gz XBMKQDLJPYCBLZ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960867066 1297725144 /nfs/dbraw/zinc/72/51/44/1297725144.db2.gz UTHDPGNREYNLMZ-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960867066 1297725149 /nfs/dbraw/zinc/72/51/49/1297725149.db2.gz UTHDPGNREYNLMZ-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO COCC[N@H+](CCCCCCCCCC(=O)OC)C1CCNCC1 ZINC001235946134 1313421689 /nfs/dbraw/zinc/42/16/89/1313421689.db2.gz KJTNYBMMLBPZCE-UHFFFAOYSA-N 1 3 342.524 2.981 20 0 EFADHO COCC[N@@H+](CCCCCCCCCC(=O)OC)C1CCNCC1 ZINC001235946134 1313421692 /nfs/dbraw/zinc/42/16/92/1313421692.db2.gz KJTNYBMMLBPZCE-UHFFFAOYSA-N 1 3 342.524 2.981 20 0 EFADHO COCCN(CCCCCCCCCC(=O)OC)C1CC[NH2+]CC1 ZINC001235946134 1313421696 /nfs/dbraw/zinc/42/16/96/1313421696.db2.gz KJTNYBMMLBPZCE-UHFFFAOYSA-N 1 3 342.524 2.981 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206275691 1313430005 /nfs/dbraw/zinc/43/00/05/1313430005.db2.gz YIGWUGUHANIVJE-MSOLQXFVSA-N 1 3 337.552 2.839 20 0 EFADHO COCCOc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903921858 1313422959 /nfs/dbraw/zinc/42/29/59/1313422959.db2.gz RPZFJICURPNTLI-UHFFFAOYSA-N 1 3 326.440 2.647 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914636 1297802615 /nfs/dbraw/zinc/80/26/15/1297802615.db2.gz UYHLZALBHFWENG-SJLPKXTDSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914636 1297802622 /nfs/dbraw/zinc/80/26/22/1297802622.db2.gz UYHLZALBHFWENG-SJLPKXTDSA-N 1 3 340.471 2.945 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001206301250 1313432453 /nfs/dbraw/zinc/43/24/53/1313432453.db2.gz KRSPZNMIJBQWIJ-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC000947684285 1297856309 /nfs/dbraw/zinc/85/63/09/1297856309.db2.gz HBYORYLRTIXDLY-YOEHRIQHSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC000947684283 1297856354 /nfs/dbraw/zinc/85/63/54/1297856354.db2.gz HBYORYLRTIXDLY-WMLDXEAASA-N 1 3 335.517 2.559 20 0 EFADHO Cc1nc(-c2ccccc2)sc1CN1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001236073699 1313437811 /nfs/dbraw/zinc/43/78/11/1313437811.db2.gz PLVMJYYFUFTVFK-QGZVFWFLSA-N 1 3 342.512 2.726 20 0 EFADHO CCCCOc1cccc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)c1 ZINC001236077749 1313438235 /nfs/dbraw/zinc/43/82/35/1313438235.db2.gz BFXGUVNTNQDHFF-LJQANCHMSA-N 1 3 331.504 2.720 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610834 1313438472 /nfs/dbraw/zinc/43/84/72/1313438472.db2.gz IZTKJWYQGZAPGD-MKXGPGLRSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610834 1313438476 /nfs/dbraw/zinc/43/84/76/1313438476.db2.gz IZTKJWYQGZAPGD-MKXGPGLRSA-N 1 3 335.536 2.686 20 0 EFADHO COc1ccc2c(CN3CCC4(CC[N@H+](C)C4)CC3)cc(=O)oc2c1 ZINC001277978401 1313438550 /nfs/dbraw/zinc/43/85/50/1313438550.db2.gz SDNYXOHHRIOREA-UHFFFAOYSA-N 1 3 342.439 2.719 20 0 EFADHO COc1ccc2c(CN3CCC4(CC[N@@H+](C)C4)CC3)cc(=O)oc2c1 ZINC001277978401 1313438551 /nfs/dbraw/zinc/43/85/51/1313438551.db2.gz SDNYXOHHRIOREA-UHFFFAOYSA-N 1 3 342.439 2.719 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C[C@H]1CCC[NH2+]C1 ZINC001236097705 1313441278 /nfs/dbraw/zinc/44/12/78/1313441278.db2.gz MGOPTUDFJXCUKO-QXAKKESOSA-N 1 3 330.472 2.797 20 0 EFADHO Cc1cc(F)cc(Cl)c1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236131692 1313445539 /nfs/dbraw/zinc/44/55/39/1313445539.db2.gz GHDQKOYHIGPUBY-UHFFFAOYSA-N 1 3 325.859 2.657 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC000948246397 1297955033 /nfs/dbraw/zinc/95/50/33/1297955033.db2.gz XHDNEVOOLLQIAK-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000948246397 1297955042 /nfs/dbraw/zinc/95/50/42/1297955042.db2.gz XHDNEVOOLLQIAK-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948246616 1297955670 /nfs/dbraw/zinc/95/56/70/1297955670.db2.gz YZNNMDYOUFUECY-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948246616 1297955678 /nfs/dbraw/zinc/95/56/78/1297955678.db2.gz YZNNMDYOUFUECY-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO Clc1ccc([C@@]23C[C@@H]2CN(CC[C@H]2C[NH2+]CCO2)C3)cc1Cl ZINC001236156143 1313448226 /nfs/dbraw/zinc/44/82/26/1313448226.db2.gz XMXJIVWHPJVTHY-KEYYUXOJSA-N 1 3 341.282 2.945 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029657 1298029693 /nfs/dbraw/zinc/02/96/93/1298029693.db2.gz RRLIOBVOBYJIOA-IBGZPJMESA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029657 1298029702 /nfs/dbraw/zinc/02/97/02/1298029702.db2.gz RRLIOBVOBYJIOA-IBGZPJMESA-N 1 3 343.515 2.822 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961029237 1298030607 /nfs/dbraw/zinc/03/06/07/1298030607.db2.gz PZRADGMTSOWBBX-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961029237 1298030613 /nfs/dbraw/zinc/03/06/13/1298030613.db2.gz PZRADGMTSOWBBX-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000961031069 1298034795 /nfs/dbraw/zinc/03/47/95/1298034795.db2.gz IFCHSGDAXBRKSC-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000961031069 1298034802 /nfs/dbraw/zinc/03/48/02/1298034802.db2.gz IFCHSGDAXBRKSC-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037263 1298049817 /nfs/dbraw/zinc/04/98/17/1298049817.db2.gz SDDDXKZXCOOJND-APWZRJJASA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037263 1298049826 /nfs/dbraw/zinc/04/98/26/1298049826.db2.gz SDDDXKZXCOOJND-APWZRJJASA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000948775803 1298063538 /nfs/dbraw/zinc/06/35/38/1298063538.db2.gz RHCXPLXZBXOESC-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000948775803 1298063547 /nfs/dbraw/zinc/06/35/47/1298063547.db2.gz RHCXPLXZBXOESC-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO Fc1cc(-c2ncc3c(n2)C[NH2+]CC3)ccc1CN1CCCCC1 ZINC001236231571 1313458451 /nfs/dbraw/zinc/45/84/51/1313458451.db2.gz JBLDNCQQMHCAIR-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC2CC2)c1 ZINC001049907018 1313465541 /nfs/dbraw/zinc/46/55/41/1313465541.db2.gz BFYILDOVNHITCV-WOJBJXKFSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CC2CC2)c1 ZINC001049907018 1313465545 /nfs/dbraw/zinc/46/55/45/1313465545.db2.gz BFYILDOVNHITCV-WOJBJXKFSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017658126 1313459776 /nfs/dbraw/zinc/45/97/76/1313459776.db2.gz YTVYMENSHYPDPC-HDICACEKSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000948920113 1298089188 /nfs/dbraw/zinc/08/91/88/1298089188.db2.gz XBSBDMDNTDXMSZ-ZCNNSNEGSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000948920113 1298089203 /nfs/dbraw/zinc/08/92/03/1298089203.db2.gz XBSBDMDNTDXMSZ-ZCNNSNEGSA-N 1 3 343.515 2.842 20 0 EFADHO COc1ccc(Br)cc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314461 1313468056 /nfs/dbraw/zinc/46/80/56/1313468056.db2.gz NIWBCNFENQPQIE-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909338 1313470126 /nfs/dbraw/zinc/47/01/26/1313470126.db2.gz ABDVGLWLLOUTGV-RBUKOAKNSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909338 1313470128 /nfs/dbraw/zinc/47/01/28/1313470128.db2.gz ABDVGLWLLOUTGV-RBUKOAKNSA-N 1 3 329.488 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCF)c1 ZINC001049912435 1313472962 /nfs/dbraw/zinc/47/29/62/1313472962.db2.gz KRNQBNGUAWDGKJ-OALUTQOASA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCF)c1 ZINC001049912435 1313472965 /nfs/dbraw/zinc/47/29/65/1313472965.db2.gz KRNQBNGUAWDGKJ-OALUTQOASA-N 1 3 347.478 2.787 20 0 EFADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccccc2N2CCC(O)CC2)C1 ZINC001206549829 1313474313 /nfs/dbraw/zinc/47/43/13/1313474313.db2.gz QKVONWPRDZWZGN-FQEVSTJZSA-N 1 3 331.504 2.599 20 0 EFADHO COC(=O)c1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1O ZINC001236376502 1313474764 /nfs/dbraw/zinc/47/47/64/1313474764.db2.gz RWUYGFFYEUMXFU-INIZCTEOSA-N 1 3 346.471 2.923 20 0 EFADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001206555390 1313475479 /nfs/dbraw/zinc/47/54/79/1313475479.db2.gz KOXNIHQMYFNLMT-GOSISDBHSA-N 1 3 337.533 2.660 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001211269494 1314467071 /nfs/dbraw/zinc/46/70/71/1314467071.db2.gz RQGIPJOEHCGHSW-QGZVFWFLSA-N 1 3 337.895 2.761 20 0 EFADHO O=C(c1ccccc1)[C@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001236434618 1313480997 /nfs/dbraw/zinc/48/09/97/1313480997.db2.gz STUKBWXVAVWWGL-FQEVSTJZSA-N 1 3 349.478 2.801 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178261 1298254777 /nfs/dbraw/zinc/25/47/77/1298254777.db2.gz CGNLMVZPSVAQAK-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178261 1298254792 /nfs/dbraw/zinc/25/47/92/1298254792.db2.gz CGNLMVZPSVAQAK-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183327 1298265823 /nfs/dbraw/zinc/26/58/23/1298265823.db2.gz MIJDOLBUOGUPSW-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183327 1298265829 /nfs/dbraw/zinc/26/58/29/1298265829.db2.gz MIJDOLBUOGUPSW-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187457 1298270946 /nfs/dbraw/zinc/27/09/46/1298270946.db2.gz UDASYGHUNYKWIU-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187457 1298270947 /nfs/dbraw/zinc/27/09/47/1298270947.db2.gz UDASYGHUNYKWIU-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188141 1298273940 /nfs/dbraw/zinc/27/39/40/1298273940.db2.gz UJMVTMADVXHSCY-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188141 1298273949 /nfs/dbraw/zinc/27/39/49/1298273949.db2.gz UJMVTMADVXHSCY-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229115 1298369413 /nfs/dbraw/zinc/36/94/13/1298369413.db2.gz HJAAUAKCLMLFOI-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229115 1298369424 /nfs/dbraw/zinc/36/94/24/1298369424.db2.gz HJAAUAKCLMLFOI-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229118 1298370551 /nfs/dbraw/zinc/37/05/51/1298370551.db2.gz HJAAUAKCLMLFOI-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229118 1298370557 /nfs/dbraw/zinc/37/05/57/1298370557.db2.gz HJAAUAKCLMLFOI-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CCN[C@@]12CC[C@@]([NH2+]C)(C1)CCC2)C(=O)OC(C)(C)C ZINC001276492412 1313500088 /nfs/dbraw/zinc/50/00/88/1313500088.db2.gz UNEUANZENJQWGC-MSOLQXFVSA-N 1 3 325.497 2.898 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262817 1298446823 /nfs/dbraw/zinc/44/68/23/1298446823.db2.gz QCPCJOKMXSXXJL-PMACEKPBSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262817 1298446825 /nfs/dbraw/zinc/44/68/25/1298446825.db2.gz QCPCJOKMXSXXJL-PMACEKPBSA-N 1 3 349.563 2.935 20 0 EFADHO Nc1cccc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001276492116 1313507432 /nfs/dbraw/zinc/50/74/32/1313507432.db2.gz KANQNSIMFCIFNR-UHFFFAOYSA-N 1 3 339.487 2.870 20 0 EFADHO Nc1cccc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)n1 ZINC001276492116 1313507434 /nfs/dbraw/zinc/50/74/34/1313507434.db2.gz KANQNSIMFCIFNR-UHFFFAOYSA-N 1 3 339.487 2.870 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295092 1298514726 /nfs/dbraw/zinc/51/47/26/1298514726.db2.gz XCLWPOLEELQLMO-VQTJNVASSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295092 1298514737 /nfs/dbraw/zinc/51/47/37/1298514737.db2.gz XCLWPOLEELQLMO-VQTJNVASSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605525 1313510761 /nfs/dbraw/zinc/51/07/61/1313510761.db2.gz RULRIHSUILKXSJ-NEWSRXKRSA-N 1 3 329.488 2.739 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096605525 1313510765 /nfs/dbraw/zinc/51/07/65/1313510765.db2.gz RULRIHSUILKXSJ-NEWSRXKRSA-N 1 3 329.488 2.739 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961337366 1298572778 /nfs/dbraw/zinc/57/27/78/1298572778.db2.gz BSMNTOCOMFIOBE-PMACEKPBSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961337366 1298572788 /nfs/dbraw/zinc/57/27/88/1298572788.db2.gz BSMNTOCOMFIOBE-PMACEKPBSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765767 1313517476 /nfs/dbraw/zinc/51/74/76/1313517476.db2.gz LNPNPDNWGKGKQO-OQIJWPOYSA-N 1 3 333.520 2.582 20 0 EFADHO CCCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903980132 1313529709 /nfs/dbraw/zinc/52/97/09/1313529709.db2.gz JGOJMKHZLQQLOZ-BGYRXZFFSA-N 1 3 343.515 2.876 20 0 EFADHO CCCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903980132 1313529711 /nfs/dbraw/zinc/52/97/11/1313529711.db2.gz JGOJMKHZLQQLOZ-BGYRXZFFSA-N 1 3 343.515 2.876 20 0 EFADHO Fc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903979993 1313529967 /nfs/dbraw/zinc/52/99/67/1313529967.db2.gz BGBTWADMIBUFQI-HDICACEKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903979993 1313529970 /nfs/dbraw/zinc/52/99/70/1313529970.db2.gz BGBTWADMIBUFQI-HDICACEKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903979993 1313529974 /nfs/dbraw/zinc/52/99/74/1313529974.db2.gz BGBTWADMIBUFQI-HDICACEKSA-N 1 3 337.870 2.880 20 0 EFADHO Clc1cscc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980248 1313530739 /nfs/dbraw/zinc/53/07/39/1313530739.db2.gz LPLNMTYARWVERX-GASCZTMLSA-N 1 3 325.909 2.802 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+](CC4CC4)C3)CC2)CCC1 ZINC000961377575 1298649486 /nfs/dbraw/zinc/64/94/86/1298649486.db2.gz XNJIKENFGPFNKR-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)CCC1 ZINC000961377575 1298649494 /nfs/dbraw/zinc/64/94/94/1298649494.db2.gz XNJIKENFGPFNKR-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961377589 1298650197 /nfs/dbraw/zinc/65/01/97/1298650197.db2.gz XQKKTWPTYAEBIY-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961377589 1298650213 /nfs/dbraw/zinc/65/02/13/1298650213.db2.gz XQKKTWPTYAEBIY-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000961406965 1298701536 /nfs/dbraw/zinc/70/15/36/1298701536.db2.gz UCZVPJIHDSYAMR-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000961406965 1298701544 /nfs/dbraw/zinc/70/15/44/1298701544.db2.gz UCZVPJIHDSYAMR-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961411416 1298706681 /nfs/dbraw/zinc/70/66/81/1298706681.db2.gz NFRJBTWHZCTLBL-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961411416 1298706693 /nfs/dbraw/zinc/70/66/93/1298706693.db2.gz NFRJBTWHZCTLBL-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC000961413001 1298709976 /nfs/dbraw/zinc/70/99/76/1298709976.db2.gz WMJIRMLGQCQMAN-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC000961413001 1298709983 /nfs/dbraw/zinc/70/99/83/1298709983.db2.gz WMJIRMLGQCQMAN-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cccc(CC)c2)CC1 ZINC001206890571 1313541392 /nfs/dbraw/zinc/54/13/92/1313541392.db2.gz YALGQMICIDZCOU-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000961436846 1298746897 /nfs/dbraw/zinc/74/68/97/1298746897.db2.gz WSWSWUFFMDPAPQ-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961436846 1298746901 /nfs/dbraw/zinc/74/69/01/1298746901.db2.gz WSWSWUFFMDPAPQ-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccn1 ZINC001490309407 1298751462 /nfs/dbraw/zinc/75/14/62/1298751462.db2.gz JGWDBGVTPLMPSL-IEBWSBKVSA-N 1 3 346.519 2.673 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccn1 ZINC001490309407 1298751467 /nfs/dbraw/zinc/75/14/67/1298751467.db2.gz JGWDBGVTPLMPSL-IEBWSBKVSA-N 1 3 346.519 2.673 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)N1CCCC1 ZINC000961456676 1298764988 /nfs/dbraw/zinc/76/49/88/1298764988.db2.gz GJCVUQKDQUWXLY-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)N1CCCC1 ZINC000961456676 1298764995 /nfs/dbraw/zinc/76/49/95/1298764995.db2.gz GJCVUQKDQUWXLY-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2CCN3CCCC2CCCC2)CC1 ZINC001278022352 1313546028 /nfs/dbraw/zinc/54/60/28/1313546028.db2.gz RDOLBWLZQRPMEY-FXAWDEMLSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+](C)CCN(Cc1ccc([O-])c(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC001236930480 1313555721 /nfs/dbraw/zinc/55/57/21/1313555721.db2.gz BAGNWCSNDIDHHG-AWEZNQCLSA-N 1 3 345.409 2.527 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001236975210 1313564068 /nfs/dbraw/zinc/56/40/68/1313564068.db2.gz HMJWWZLAHRUBJN-QGZVFWFLSA-N 1 3 341.421 2.735 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@@H]3NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001490597878 1299019612 /nfs/dbraw/zinc/01/96/12/1299019612.db2.gz APZRKDIAOWMVCO-ABHNRTSZSA-N 1 3 349.563 2.981 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC001278047786 1313581337 /nfs/dbraw/zinc/58/13/37/1313581337.db2.gz HLVYLFLILSQZEQ-TZIWHRDSSA-N 1 3 345.531 2.775 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC001278047786 1313581340 /nfs/dbraw/zinc/58/13/40/1313581340.db2.gz HLVYLFLILSQZEQ-TZIWHRDSSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110615253 1299106801 /nfs/dbraw/zinc/10/68/01/1299106801.db2.gz KUZMRUSNFVVERG-XDNAFOTISA-N 1 3 341.515 2.824 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110615253 1299106805 /nfs/dbraw/zinc/10/68/05/1299106805.db2.gz KUZMRUSNFVVERG-XDNAFOTISA-N 1 3 341.515 2.824 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110615289 1299107537 /nfs/dbraw/zinc/10/75/37/1299107537.db2.gz MMDQKWZYAWQYDF-SAHYRCCCSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110615289 1299107540 /nfs/dbraw/zinc/10/75/40/1299107540.db2.gz MMDQKWZYAWQYDF-SAHYRCCCSA-N 1 3 339.499 2.744 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110616535 1299161501 /nfs/dbraw/zinc/16/15/01/1299161501.db2.gz JWJGHJQDZKGVPP-VQHPVUNQSA-N 1 3 327.488 2.578 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001110616535 1299161505 /nfs/dbraw/zinc/16/15/05/1299161505.db2.gz JWJGHJQDZKGVPP-VQHPVUNQSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@@H]1Cc2cccc(Br)c2CN1CC[C@H]1C[NH2+]CCO1 ZINC001237192725 1313602383 /nfs/dbraw/zinc/60/23/83/1313602383.db2.gz YJODRVZPWSRFTO-OCCSQVGLSA-N 1 3 339.277 2.574 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000961948480 1299265525 /nfs/dbraw/zinc/26/55/25/1299265525.db2.gz SRJYMCKQCSVEKT-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000961948480 1299265538 /nfs/dbraw/zinc/26/55/38/1299265538.db2.gz SRJYMCKQCSVEKT-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961961868 1299276167 /nfs/dbraw/zinc/27/61/67/1299276167.db2.gz SIXWIVAVBQUOPQ-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961961868 1299276173 /nfs/dbraw/zinc/27/61/73/1299276173.db2.gz SIXWIVAVBQUOPQ-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961961869 1299276928 /nfs/dbraw/zinc/27/69/28/1299276928.db2.gz SIXWIVAVBQUOPQ-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)N1CCCCCC1 ZINC000961961869 1299276939 /nfs/dbraw/zinc/27/69/39/1299276939.db2.gz SIXWIVAVBQUOPQ-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017948738 1313608631 /nfs/dbraw/zinc/60/86/31/1313608631.db2.gz GXDBNZCQHXPLBT-BGYRXZFFSA-N 1 3 343.515 2.880 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001017949347 1313609220 /nfs/dbraw/zinc/60/92/20/1313609220.db2.gz LFTUCFPUSBLBCE-BGYRXZFFSA-N 1 3 343.515 2.736 20 0 EFADHO c1ccc2ncc(CC3CC[NH+](CC[C@@H]4CNCCO4)CC3)cc2c1 ZINC001237259731 1313613949 /nfs/dbraw/zinc/61/39/49/1313613949.db2.gz XJDUAJXEECAUBT-HXUWFJFHSA-N 1 3 339.483 2.868 20 0 EFADHO CN(Cc1ccccc1N1CC[NH2+]CC1)C[C@H]1Cc2ccccc2O1 ZINC001237265631 1313614749 /nfs/dbraw/zinc/61/47/49/1313614749.db2.gz QLJPXNAOYSOPEU-LJQANCHMSA-N 1 3 337.467 2.532 20 0 EFADHO Cc1cc(Cl)cc(C)c1CN1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001237349921 1313629302 /nfs/dbraw/zinc/62/93/02/1313629302.db2.gz CVRVYFYHNMFDRM-UHFFFAOYSA-N 1 3 337.895 2.553 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000962305771 1299566133 /nfs/dbraw/zinc/56/61/33/1299566133.db2.gz MUDIOQRJOLBVGD-MDCZIUGASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000962305690 1299566220 /nfs/dbraw/zinc/56/62/20/1299566220.db2.gz LREBPEAUIJTNKA-LYGPFTKASA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC000962307783 1299570009 /nfs/dbraw/zinc/57/00/09/1299570009.db2.gz VLEFFDQKXHFFBD-MNNVXMFVSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000962309595 1299571370 /nfs/dbraw/zinc/57/13/70/1299571370.db2.gz NSVCVSSPJUOFIY-MXWWQKGMSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000962310480 1299571869 /nfs/dbraw/zinc/57/18/69/1299571869.db2.gz WDHOTRXIMYJLNM-IVMQYODDSA-N 1 3 347.547 2.783 20 0 EFADHO CC1(C)CC(C[NH2+]CC2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000962311110 1299573134 /nfs/dbraw/zinc/57/31/34/1299573134.db2.gz FSGYOGBNZBXMCD-UHFFFAOYSA-N 1 3 335.536 2.639 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000962310546 1299573283 /nfs/dbraw/zinc/57/32/83/1299573283.db2.gz YALBDOARAKKRQP-VQSBYGRUSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]([NH2+]CC1CC(NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000962311585 1299573341 /nfs/dbraw/zinc/57/33/41/1299573341.db2.gz MSBSLKWVGKLVQS-LRYGQEGESA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC000962310622 1299573402 /nfs/dbraw/zinc/57/34/02/1299573402.db2.gz ZXUYHEWBUPGCJM-UQPPLGOBSA-N 1 3 349.906 2.666 20 0 EFADHO C[NH+](C)CCN1CCN(C[C@@H]2C[C@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207191693 1313634227 /nfs/dbraw/zinc/63/42/27/1313634227.db2.gz NCDKBLUXZSGUDO-WMZOPIPTSA-N 1 3 349.906 2.539 20 0 EFADHO COc1ccc2c(c1)n[nH]c2CN1CCN(c2cc[nH+]cc2C)CC1 ZINC001237398089 1313636505 /nfs/dbraw/zinc/63/65/05/1313636505.db2.gz OKIIBWUSKPAMFW-UHFFFAOYSA-N 1 3 337.427 2.597 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001207279644 1313650042 /nfs/dbraw/zinc/65/00/42/1313650042.db2.gz NPWPXUVSOURKJR-GJZGRUSLSA-N 1 3 325.497 2.658 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001207279644 1313650043 /nfs/dbraw/zinc/65/00/43/1313650043.db2.gz NPWPXUVSOURKJR-GJZGRUSLSA-N 1 3 325.497 2.658 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2c(C)cccc2C)C1 ZINC000962596773 1299852003 /nfs/dbraw/zinc/85/20/03/1299852003.db2.gz BGAZDBDTHMGEDW-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000962601560 1299861232 /nfs/dbraw/zinc/86/12/32/1299861232.db2.gz JVSHFTDFAQIDMS-MKQDKFQKSA-N 1 3 344.434 2.645 20 0 EFADHO CCOC[C@H]1COCCC12CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207282148 1313652311 /nfs/dbraw/zinc/65/23/11/1313652311.db2.gz MYSGNFGDKWOGPL-KRWDZBQOSA-N 1 3 326.525 2.729 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001207282423 1313652344 /nfs/dbraw/zinc/65/23/44/1313652344.db2.gz QEPJXGLCUGJPIP-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)c1 ZINC000962731858 1299972786 /nfs/dbraw/zinc/97/27/86/1299972786.db2.gz ZDSOQBBPTQVJDB-PMOLBWCYSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)c1 ZINC000962731858 1299972803 /nfs/dbraw/zinc/97/28/03/1299972803.db2.gz ZDSOQBBPTQVJDB-PMOLBWCYSA-N 1 3 341.499 2.598 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(CCN(C[C@@]34C[C@@H]3C[NH2+]C4)CC2)CC1 ZINC000853246840 1300066083 /nfs/dbraw/zinc/06/60/83/1300066083.db2.gz UUQITNSDZVEFEV-UZLBHIALSA-N 1 3 349.519 2.709 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1 ZINC000962809775 1300088476 /nfs/dbraw/zinc/08/84/76/1300088476.db2.gz UGYGUXXSSRUAAG-SOAGJPPSSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H]1CN(CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207398421 1313675141 /nfs/dbraw/zinc/67/51/41/1313675141.db2.gz OGPZBOWMTWPUQX-INIZCTEOSA-N 1 3 325.497 2.660 20 0 EFADHO C[NH+]1CCC(CN2CCO[C@@]3(CCCN(c4ccccc4)C3)C2)CC1 ZINC001207396680 1313674649 /nfs/dbraw/zinc/67/46/49/1313674649.db2.gz PZPRYGBMUMOROM-NRFANRHFSA-N 1 3 343.515 2.700 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000963155879 1300376451 /nfs/dbraw/zinc/37/64/51/1300376451.db2.gz CUMDJXAIIHIYMI-SOAGJPPSSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000963155867 1300377649 /nfs/dbraw/zinc/37/76/49/1300377649.db2.gz CUMDJXAIIHIYMI-MHJFOBGBSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000963157615 1300379280 /nfs/dbraw/zinc/37/92/80/1300379280.db2.gz PEHVSYMVEVGNFF-FAFZWHIHSA-N 1 3 347.478 2.779 20 0 EFADHO C[NH+]1CCC(CCN2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001207485568 1313698271 /nfs/dbraw/zinc/69/82/71/1313698271.db2.gz WWXMSJJZEXLILW-CYBMUJFWSA-N 1 3 346.397 3.000 20 0 EFADHO C[NH+]1CCC(CCN2CCN(c3nccc4occc43)CC2)CC1 ZINC001207485572 1313698016 /nfs/dbraw/zinc/69/80/16/1313698016.db2.gz WYLABRZDDKGAQH-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO COc1cccc(CN2CCN(CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207486933 1313698052 /nfs/dbraw/zinc/69/80/52/1313698052.db2.gz PBQGNSAXALBHBR-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO C[NH+]1CCC(CCN2CC[C@@H](n3cc(Br)cn3)C2)CC1 ZINC001207489321 1313698783 /nfs/dbraw/zinc/69/87/83/1313698783.db2.gz YWQKADSATRAYDY-OAHLLOKOSA-N 1 3 341.297 2.624 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314416 1300577637 /nfs/dbraw/zinc/57/76/37/1300577637.db2.gz KYRQMSGAPICDJA-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314416 1300577643 /nfs/dbraw/zinc/57/76/43/1300577643.db2.gz KYRQMSGAPICDJA-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CCC3CC3)C2)CCC1 ZINC000963314420 1300578049 /nfs/dbraw/zinc/57/80/49/1300578049.db2.gz LDAFQRVLIHKDHF-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CCC3CC3)C2)CCC1 ZINC000963314420 1300578052 /nfs/dbraw/zinc/57/80/52/1300578052.db2.gz LDAFQRVLIHKDHF-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC3CCC3)C2)CCC1 ZINC000963314563 1300578296 /nfs/dbraw/zinc/57/82/96/1300578296.db2.gz NGTQFZKDBZKIBB-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC3CCC3)C2)CCC1 ZINC000963314563 1300578299 /nfs/dbraw/zinc/57/82/99/1300578299.db2.gz NGTQFZKDBZKIBB-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315439 1300580801 /nfs/dbraw/zinc/58/08/01/1300580801.db2.gz SQJVQJADRNRPPG-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315439 1300580810 /nfs/dbraw/zinc/58/08/10/1300580810.db2.gz SQJVQJADRNRPPG-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364988 1300697830 /nfs/dbraw/zinc/69/78/30/1300697830.db2.gz DZGMUECXXXDLPG-WMZOPIPTSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364988 1300697837 /nfs/dbraw/zinc/69/78/37/1300697837.db2.gz DZGMUECXXXDLPG-WMZOPIPTSA-N 1 3 330.476 2.621 20 0 EFADHO CCC[C@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278154546 1313720324 /nfs/dbraw/zinc/72/03/24/1313720324.db2.gz TVKROHYQTHOZEU-SFHVURJKSA-N 1 3 347.547 2.997 20 0 EFADHO CCOCCN(CCOCC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC001138773204 1300826056 /nfs/dbraw/zinc/82/60/56/1300826056.db2.gz WBLILTCIIGYPQS-UHFFFAOYSA-N 1 3 338.492 2.502 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)cc21 ZINC001237880991 1313725759 /nfs/dbraw/zinc/72/57/59/1313725759.db2.gz MHFMEAHCDYVAHV-QGZVFWFLSA-N 1 3 332.488 2.642 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)cc21 ZINC001237880991 1313725763 /nfs/dbraw/zinc/72/57/63/1313725763.db2.gz MHFMEAHCDYVAHV-QGZVFWFLSA-N 1 3 332.488 2.642 20 0 EFADHO CC[N@H+](CCN1CCOCC1)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237884779 1313725811 /nfs/dbraw/zinc/72/58/11/1313725811.db2.gz FEIYVQUVGXIREA-UHFFFAOYSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@@H+](CCN1CCOCC1)Cc1ccc2c(c1)C(C(C)C)=NCC2 ZINC001237884779 1313725815 /nfs/dbraw/zinc/72/58/15/1313725815.db2.gz FEIYVQUVGXIREA-UHFFFAOYSA-N 1 3 343.515 2.842 20 0 EFADHO Oc1ccc(CC[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)cc1 ZINC001278161482 1313728342 /nfs/dbraw/zinc/72/83/42/1313728342.db2.gz YEADRFYUINGGBO-UHFFFAOYSA-N 1 3 340.471 2.646 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176337 1313727791 /nfs/dbraw/zinc/72/77/91/1313727791.db2.gz GXAPDERQKWEGQG-CADBVGFASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176340 1313727973 /nfs/dbraw/zinc/72/79/73/1313727973.db2.gz GXAPDERQKWEGQG-ZSYWTGECSA-N 1 3 335.536 2.828 20 0 EFADHO NC(=O)C1CCN(C2CC[NH+](CCCCc3ccccc3)CC2)CC1 ZINC001207616582 1313730460 /nfs/dbraw/zinc/73/04/60/1313730460.db2.gz GZWFZQLDMXVYJF-UHFFFAOYSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001207650177 1313740133 /nfs/dbraw/zinc/74/01/33/1313740133.db2.gz WBYMCZHVBCKFMS-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001207650177 1313740137 /nfs/dbraw/zinc/74/01/37/1313740137.db2.gz WBYMCZHVBCKFMS-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)N(C)C ZINC001207653056 1313741633 /nfs/dbraw/zinc/74/16/33/1313741633.db2.gz VVZKMSPOUVLWAH-QRQLOZEOSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)N(C)C ZINC001207653056 1313741636 /nfs/dbraw/zinc/74/16/36/1313741636.db2.gz VVZKMSPOUVLWAH-QRQLOZEOSA-N 1 3 335.536 2.900 20 0 EFADHO CCOc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)ccc1C ZINC001238080589 1313757624 /nfs/dbraw/zinc/75/76/24/1313757624.db2.gz QEQMBVCEJSUWQR-UHFFFAOYSA-N 1 3 331.504 2.606 20 0 EFADHO CC(C)(C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2)N1CCCCC1 ZINC000963809008 1301336236 /nfs/dbraw/zinc/33/62/36/1301336236.db2.gz SUADQHRGTDTSSD-UHFFFAOYSA-N 1 3 333.520 2.678 20 0 EFADHO C(C1CCCC1)N1CCO[C@@H]2C[N@H+](CC3CCSCC3)C[C@@H]2C1 ZINC001207748168 1313764039 /nfs/dbraw/zinc/76/40/39/1313764039.db2.gz WXJZFBUHUFHWMN-RBUKOAKNSA-N 1 3 338.561 2.952 20 0 EFADHO C(C1CCCC1)N1CCO[C@@H]2C[N@@H+](CC3CCSCC3)C[C@@H]2C1 ZINC001207748168 1313764042 /nfs/dbraw/zinc/76/40/42/1313764042.db2.gz WXJZFBUHUFHWMN-RBUKOAKNSA-N 1 3 338.561 2.952 20 0 EFADHO c1ncn2c1cccc2C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001238106373 1313762313 /nfs/dbraw/zinc/76/23/13/1313762313.db2.gz YRRHXAVEOMZHSX-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO c1ncn2c1cccc2C[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001238106373 1313762316 /nfs/dbraw/zinc/76/23/16/1313762316.db2.gz YRRHXAVEOMZHSX-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO C[N@H+](CCCN1CCCC1)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859292235 1301420597 /nfs/dbraw/zinc/42/05/97/1301420597.db2.gz VIZWORREEBHFBD-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859292235 1301420604 /nfs/dbraw/zinc/42/06/04/1301420604.db2.gz VIZWORREEBHFBD-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO CC(C)[NH2+]C1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963902226 1301452833 /nfs/dbraw/zinc/45/28/33/1301452833.db2.gz HXTLNZXJYJDCGT-RJYAGPCLSA-N 1 3 341.515 2.967 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207794716 1313776466 /nfs/dbraw/zinc/77/64/66/1313776466.db2.gz DNRDDPHETDSNKV-KURKYZTESA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001207794716 1313776471 /nfs/dbraw/zinc/77/64/71/1313776471.db2.gz DNRDDPHETDSNKV-KURKYZTESA-N 1 3 341.515 2.683 20 0 EFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001207795801 1313776880 /nfs/dbraw/zinc/77/68/80/1313776880.db2.gz QTCPKGTUYYUOCA-UHFFFAOYSA-N 1 3 329.488 2.795 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001202502600 1301731194 /nfs/dbraw/zinc/73/11/94/1301731194.db2.gz FRSVXTKTCRHTDI-IOMDMTNGSA-N 1 3 345.890 2.532 20 0 EFADHO C[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001207859271 1313789829 /nfs/dbraw/zinc/78/98/29/1313789829.db2.gz NEDGSFFMKXTTCG-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC001207859271 1313789833 /nfs/dbraw/zinc/78/98/33/1313789833.db2.gz NEDGSFFMKXTTCG-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202504240 1301767897 /nfs/dbraw/zinc/76/78/97/1301767897.db2.gz SDHDJCPFWCFOQL-KBXCAEBGSA-N 1 3 345.478 2.528 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)N1CCCC1 ZINC001037056137 1302072583 /nfs/dbraw/zinc/07/25/83/1302072583.db2.gz BVBBBHCUNJPREA-RBUKOAKNSA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1)N1CCCC1 ZINC001037056136 1302072918 /nfs/dbraw/zinc/07/29/18/1302072918.db2.gz BVBBBHCUNJPREA-OALUTQOASA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)N1CCCC1 ZINC001037056135 1302073593 /nfs/dbraw/zinc/07/35/93/1302073593.db2.gz BVBBBHCUNJPREA-MOPGFXCFSA-N 1 3 343.515 2.936 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000861631522 1302176170 /nfs/dbraw/zinc/17/61/70/1302176170.db2.gz AIKYKFVAFKUWTK-CZUORRHYSA-N 1 3 340.899 2.712 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001208013658 1313825401 /nfs/dbraw/zinc/82/54/01/1313825401.db2.gz IZUJKWZRENGFFP-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CCc1ccc(CNC23CC(C(=O)N(C)CC[NH+](CC)CC)(C2)C3)o1 ZINC001278248406 1313836903 /nfs/dbraw/zinc/83/69/03/1313836903.db2.gz BVPIDVOUKKHWBN-UHFFFAOYSA-N 1 3 347.503 2.655 20 0 EFADHO CCCN(CCN[C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811709 1302378640 /nfs/dbraw/zinc/37/86/40/1302378640.db2.gz ATECENPRKDJDSI-HOTGVXAUSA-N 1 3 327.513 2.953 20 0 EFADHO CCCN(CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811709 1302378651 /nfs/dbraw/zinc/37/86/51/1302378651.db2.gz ATECENPRKDJDSI-HOTGVXAUSA-N 1 3 327.513 2.953 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208073482 1313841044 /nfs/dbraw/zinc/84/10/44/1313841044.db2.gz CEBWNPVRYQDOBC-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208073482 1313841048 /nfs/dbraw/zinc/84/10/48/1313841048.db2.gz CEBWNPVRYQDOBC-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208113525 1313850533 /nfs/dbraw/zinc/85/05/33/1313850533.db2.gz AUXXTWPFILJESG-QRQLOZEOSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208113525 1313850535 /nfs/dbraw/zinc/85/05/35/1313850535.db2.gz AUXXTWPFILJESG-QRQLOZEOSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)cc1 ZINC001097100450 1313851787 /nfs/dbraw/zinc/85/17/87/1313851787.db2.gz QNMUYSZPSXASEY-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)cc1 ZINC001097100450 1313851790 /nfs/dbraw/zinc/85/17/90/1313851790.db2.gz QNMUYSZPSXASEY-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO CCOC(=O)C1CC[NH+](C2CCN(CC[C@H](C)SC)CC2)CC1 ZINC001208145429 1313856624 /nfs/dbraw/zinc/85/66/24/1313856624.db2.gz YCJYEYBMIHYETQ-HNNXBMFYSA-N 1 3 342.549 2.868 20 0 EFADHO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@@]4(CCN(C)C4)C3)c[nH]c2c1 ZINC001276559336 1313857765 /nfs/dbraw/zinc/85/77/65/1313857765.db2.gz VZXDYWZGTCNZSG-FQEVSTJZSA-N 1 3 341.455 2.872 20 0 EFADHO COC(=O)c1ccc2c(C[N@H+]3CCC[C@@]4(CCN(C)C4)C3)c[nH]c2c1 ZINC001276559336 1313857768 /nfs/dbraw/zinc/85/77/68/1313857768.db2.gz VZXDYWZGTCNZSG-FQEVSTJZSA-N 1 3 341.455 2.872 20 0 EFADHO CSc1ncc(C)cc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238721736 1313859575 /nfs/dbraw/zinc/85/95/75/1313859575.db2.gz WREBDWDBYPTUSH-UHFFFAOYSA-N 1 3 348.560 2.571 20 0 EFADHO COc1cc(C)c(C)cc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001238755144 1313864331 /nfs/dbraw/zinc/86/43/31/1313864331.db2.gz AJMPSNAKEXJYDS-RBUKOAKNSA-N 1 3 331.504 2.522 20 0 EFADHO COc1cc(C)c(C)cc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001238755144 1313864334 /nfs/dbraw/zinc/86/43/34/1313864334.db2.gz AJMPSNAKEXJYDS-RBUKOAKNSA-N 1 3 331.504 2.522 20 0 EFADHO C[NH+](C)CC1(CN2CC3(C2)CCN(Cc2cccnc2)C3)CCCC1 ZINC001208186747 1313864452 /nfs/dbraw/zinc/86/44/52/1313864452.db2.gz XDUCUBYCJQIVOR-UHFFFAOYSA-N 1 3 342.531 2.711 20 0 EFADHO CC[N@H+](CCNC(=O)OC(C)(C)C)CC1(CN(C)C)CCCC1 ZINC001208186916 1313864255 /nfs/dbraw/zinc/86/42/55/1313864255.db2.gz AMNRRQVOHSWRBW-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC1(CN(C)C)CCCC1 ZINC001208186916 1313864258 /nfs/dbraw/zinc/86/42/58/1313864258.db2.gz AMNRRQVOHSWRBW-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(CCC(=O)N3CC3CC3)CC2)CCCC1 ZINC001208185357 1313864693 /nfs/dbraw/zinc/86/46/93/1313864693.db2.gz MIUDBGAWDSHMAF-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CCCC1 ZINC001208187711 1313865532 /nfs/dbraw/zinc/86/55/32/1313865532.db2.gz NYCFYMUFLNGDDQ-JKSUJKDBSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@@H]3C2)CCCC1 ZINC001208187711 1313865536 /nfs/dbraw/zinc/86/55/36/1313865536.db2.gz NYCFYMUFLNGDDQ-JKSUJKDBSA-N 1 3 337.508 2.660 20 0 EFADHO CC1CC(C[NH2+]C2CC3(CC(NC(=O)CN4CCC[C@H]4C)C3)C2)C1 ZINC000965065473 1302788621 /nfs/dbraw/zinc/78/86/21/1302788621.db2.gz XFKFWWVMSMPTLO-BYCYZPFKSA-N 1 3 333.520 2.534 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119989354 1302876685 /nfs/dbraw/zinc/87/66/85/1302876685.db2.gz WDSHZMAKSBZCEM-IEBWSBKVSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000119989354 1302876699 /nfs/dbraw/zinc/87/66/99/1302876699.db2.gz WDSHZMAKSBZCEM-IEBWSBKVSA-N 1 3 343.515 2.982 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368748 1302879950 /nfs/dbraw/zinc/87/99/50/1302879950.db2.gz RVBUPVMWDZMVPN-LYTJHDFESA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368748 1302879959 /nfs/dbraw/zinc/87/99/59/1302879959.db2.gz RVBUPVMWDZMVPN-LYTJHDFESA-N 1 3 333.520 2.654 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000719858034 1303126056 /nfs/dbraw/zinc/12/60/56/1303126056.db2.gz PCESGTQDRHGKEI-MSOLQXFVSA-N 1 3 349.544 2.580 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719858034 1303126060 /nfs/dbraw/zinc/12/60/60/1303126060.db2.gz PCESGTQDRHGKEI-MSOLQXFVSA-N 1 3 349.544 2.580 20 0 EFADHO CSCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719858034 1303126061 /nfs/dbraw/zinc/12/60/61/1303126061.db2.gz PCESGTQDRHGKEI-MSOLQXFVSA-N 1 3 349.544 2.580 20 0 EFADHO Cn1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)c(-c2cc(F)ccc2F)n1 ZINC000865412167 1303242993 /nfs/dbraw/zinc/24/29/93/1303242993.db2.gz LGYNYFAHIDFCDN-CYBMUJFWSA-N 1 3 346.425 2.939 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865415289 1303244673 /nfs/dbraw/zinc/24/46/73/1303244673.db2.gz ZFVCYVLMRCVFSY-ZDUSSCGKSA-N 1 3 345.409 2.543 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1)C1CCC1 ZINC001208339453 1313904422 /nfs/dbraw/zinc/90/44/22/1313904422.db2.gz ADQPEEVIZMHLLU-KRWDZBQOSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001208329317 1313901350 /nfs/dbraw/zinc/90/13/50/1313901350.db2.gz SSMMPWMFHGGURH-KRWDZBQOSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1)C1CC1 ZINC001208335709 1313902959 /nfs/dbraw/zinc/90/29/59/1313902959.db2.gz ZCZSRHSSPSJQTC-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)C1CCC1 ZINC001208338396 1313904015 /nfs/dbraw/zinc/90/40/15/1313904015.db2.gz XZDZEGZHYSRMCJ-FUKWUPMWSA-N 1 3 341.499 2.765 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)C1CCC1 ZINC001208338398 1313904213 /nfs/dbraw/zinc/90/42/13/1313904213.db2.gz XZDZEGZHYSRMCJ-SMTIMMHKSA-N 1 3 341.499 2.765 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641324 1303346377 /nfs/dbraw/zinc/34/63/77/1303346377.db2.gz WFZVHKRPZIYBEL-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO C[N@H+]1CCCC[C@@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641324 1303346385 /nfs/dbraw/zinc/34/63/85/1303346385.db2.gz WFZVHKRPZIYBEL-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641324 1303346387 /nfs/dbraw/zinc/34/63/87/1303346387.db2.gz WFZVHKRPZIYBEL-KBPBESRZSA-N 1 3 349.466 2.856 20 0 EFADHO CC(C)[NH+]1CCC(CCNCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000865717164 1303377247 /nfs/dbraw/zinc/37/72/47/1303377247.db2.gz RCMHCPASBCPIDV-UHFFFAOYSA-N 1 3 344.546 2.752 20 0 EFADHO Cc1cc(C)c(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239216694 1313915035 /nfs/dbraw/zinc/91/50/35/1313915035.db2.gz OWTDZJIHGATSAC-INIZCTEOSA-N 1 3 330.476 2.608 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965933167 1303466395 /nfs/dbraw/zinc/46/63/95/1303466395.db2.gz QKVRMEHONZCNTM-QAELIBMJSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1cccc(Cl)c1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214118 1313914637 /nfs/dbraw/zinc/91/46/37/1313914637.db2.gz GAFWAWBGHMCAOB-ZDUSSCGKSA-N 1 3 336.867 2.644 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001208414821 1313924091 /nfs/dbraw/zinc/92/40/91/1313924091.db2.gz YJIPDXNGKMNCEN-WOJBJXKFSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001208414659 1313923906 /nfs/dbraw/zinc/92/39/06/1313923906.db2.gz UVNMKIGEIIOJAX-WOJBJXKFSA-N 1 3 345.531 2.848 20 0 EFADHO CCCC[C@@H](CC)COC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239319675 1313925390 /nfs/dbraw/zinc/92/53/90/1313925390.db2.gz REPTWVLQQRPBEX-HZPDHXFCSA-N 1 3 325.497 2.803 20 0 EFADHO CCCC[C@H](CC)COC(=O)N(CCN(C)C)C1CC[NH2+]CC1 ZINC001239340008 1313927050 /nfs/dbraw/zinc/92/70/50/1313927050.db2.gz HMDIVAMFQRAUCJ-INIZCTEOSA-N 1 3 327.513 2.955 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208438023 1313928779 /nfs/dbraw/zinc/92/87/79/1313928779.db2.gz ABYVFMUJAIEHDO-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)[C@H](C)C1 ZINC000866555571 1303682574 /nfs/dbraw/zinc/68/25/74/1303682574.db2.gz SJNKJMYAFARFEJ-NRSPTQNISA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)[C@H](C)C1 ZINC000866555571 1303682579 /nfs/dbraw/zinc/68/25/79/1303682579.db2.gz SJNKJMYAFARFEJ-NRSPTQNISA-N 1 3 345.531 2.516 20 0 EFADHO CN(CCC[NH3+])CCCNC(=S)Nc1ccc(C(C)(C)C)cc1 ZINC001239376764 1313930849 /nfs/dbraw/zinc/93/08/49/1313930849.db2.gz ZKJVLBFONVEXCR-UHFFFAOYSA-N 1 3 336.549 2.941 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001208448269 1313930886 /nfs/dbraw/zinc/93/08/86/1313930886.db2.gz ZELPOABBJGVDFQ-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001037856164 1303729788 /nfs/dbraw/zinc/72/97/88/1303729788.db2.gz YOVHXNORSMWVJO-MOPGFXCFSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037858808 1303754562 /nfs/dbraw/zinc/75/45/62/1303754562.db2.gz YJNBGJZZMGAMGF-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037863851 1303801779 /nfs/dbraw/zinc/80/17/79/1303801779.db2.gz YVSSKKVDEOGILU-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN([C@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493166 1313943710 /nfs/dbraw/zinc/94/37/10/1313943710.db2.gz VDQMZCYIQBAOJA-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N(CC)CC ZINC001208574603 1313965421 /nfs/dbraw/zinc/96/54/21/1313965421.db2.gz BKWNLIUQHAQFSI-BRWVUGGUSA-N 1 3 329.504 2.683 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N(CC)CC ZINC001208574603 1313965425 /nfs/dbraw/zinc/96/54/25/1313965425.db2.gz BKWNLIUQHAQFSI-BRWVUGGUSA-N 1 3 329.504 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N(CC)CC ZINC001208575788 1313966097 /nfs/dbraw/zinc/96/60/97/1313966097.db2.gz VGROIFIGKHPTCJ-NXHRZFHOSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N(CC)CC ZINC001208575788 1313966100 /nfs/dbraw/zinc/96/61/00/1313966100.db2.gz VGROIFIGKHPTCJ-NXHRZFHOSA-N 1 3 337.552 2.980 20 0 EFADHO CC[NH+]1CCC(CN2CCN(Cc3cccc(OC)c3)CC2)CC1 ZINC001208600963 1313973364 /nfs/dbraw/zinc/97/33/64/1313973364.db2.gz HYAOGZNOVXWKRR-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CC[NH+]1CCC(CN2CCN(C[C@@H](OC)c3ccccc3)CC2)CC1 ZINC001208600942 1313973403 /nfs/dbraw/zinc/97/34/03/1313973403.db2.gz GUEXDGKUUUWIIA-OAQYLSRUSA-N 1 3 345.531 2.724 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001208605242 1313974889 /nfs/dbraw/zinc/97/48/89/1313974889.db2.gz BAEVLVHJHOBVOB-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001208605242 1313974892 /nfs/dbraw/zinc/97/48/92/1313974892.db2.gz BAEVLVHJHOBVOB-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@@H](C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208609187 1313978415 /nfs/dbraw/zinc/97/84/15/1313978415.db2.gz YTEHHADPICMNQU-MRXNPFEDSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001208611300 1313978577 /nfs/dbraw/zinc/97/85/77/1313978577.db2.gz BNFRHQPPSZJILL-KRWDZBQOSA-N 1 3 336.483 2.886 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001208611300 1313978581 /nfs/dbraw/zinc/97/85/81/1313978581.db2.gz BNFRHQPPSZJILL-KRWDZBQOSA-N 1 3 336.483 2.886 20 0 EFADHO CN1c2ccccc2C2(CCN(C[C@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC001208611492 1313979061 /nfs/dbraw/zinc/97/90/61/1313979061.db2.gz DPOKZJDHBDXQAT-KRWDZBQOSA-N 1 3 341.499 2.729 20 0 EFADHO CN1c2ccccc2C2(CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC001208611492 1313979063 /nfs/dbraw/zinc/97/90/63/1313979063.db2.gz DPOKZJDHBDXQAT-KRWDZBQOSA-N 1 3 341.499 2.729 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001208615530 1313981346 /nfs/dbraw/zinc/98/13/46/1313981346.db2.gz HLDBIOIXPZQZIL-INIZCTEOSA-N 1 3 349.906 2.830 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001208615530 1313981349 /nfs/dbraw/zinc/98/13/49/1313981349.db2.gz HLDBIOIXPZQZIL-INIZCTEOSA-N 1 3 349.906 2.830 20 0 EFADHO CCN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001208619180 1313983375 /nfs/dbraw/zinc/98/33/75/1313983375.db2.gz WGYOKJARFWILGE-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO CCN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001208619180 1313983378 /nfs/dbraw/zinc/98/33/78/1313983378.db2.gz WGYOKJARFWILGE-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001208713249 1313999929 /nfs/dbraw/zinc/99/99/29/1313999929.db2.gz OCZBTIKPWMUKJG-RDJZCZTQSA-N 1 3 334.460 2.765 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770214 1314011881 /nfs/dbraw/zinc/01/18/81/1314011881.db2.gz QIVBMYJTETZANS-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037930106 1304852758 /nfs/dbraw/zinc/85/27/58/1304852758.db2.gz XPKLMEWFXGSZGM-QZTJIDSGSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037930107 1304853460 /nfs/dbraw/zinc/85/34/60/1304853460.db2.gz XPKLMEWFXGSZGM-ROUUACIJSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](CCC(=O)OC)C[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001208799070 1314019044 /nfs/dbraw/zinc/01/90/44/1314019044.db2.gz XMWABHXPXLAQJM-WMZOPIPTSA-N 1 3 340.508 2.541 20 0 EFADHO c1ccc(CN2CCC=C(c3cnc(O[C@H]4CC[NH2+]C4)nc3)C2)cc1 ZINC001240388279 1314027242 /nfs/dbraw/zinc/02/72/42/1314027242.db2.gz GXYUIHNJOPTPAC-IBGZPJMESA-N 1 3 336.439 2.507 20 0 EFADHO CC[NH+](CC)CCOC(=O)c1ccc(NC2=CCN(C)CC2)cc1 ZINC001208843873 1314027345 /nfs/dbraw/zinc/02/73/45/1314027345.db2.gz JWEKGUVYKIEASW-UHFFFAOYSA-N 1 3 331.460 2.817 20 0 EFADHO c1c([C@H]2CNCCO2)cn2c1cccc2-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457522 1314035711 /nfs/dbraw/zinc/03/57/11/1314035711.db2.gz WBCBVGNURWUFOG-OAQYLSRUSA-N 1 3 333.435 2.913 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037953934 1305271029 /nfs/dbraw/zinc/27/10/29/1305271029.db2.gz ZQHYRMAEBZJJPE-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO c1ccc(C[N@H+]2CCC[C@@H](CN3CCN(CC4CC4)CC3)C2)cc1 ZINC001208938427 1314052277 /nfs/dbraw/zinc/05/22/77/1314052277.db2.gz ZCFRWFZPSBLYQB-NRFANRHFSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(CC4CC4)CC3)C2)cc1 ZINC001208938427 1314052281 /nfs/dbraw/zinc/05/22/81/1314052281.db2.gz ZCFRWFZPSBLYQB-NRFANRHFSA-N 1 3 327.516 2.926 20 0 EFADHO O=C1CCCC2(CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208942052 1314052508 /nfs/dbraw/zinc/05/25/08/1314052508.db2.gz BQYODLYWIYORDA-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C1CCCC2(CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208942052 1314052510 /nfs/dbraw/zinc/05/25/10/1314052510.db2.gz BQYODLYWIYORDA-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942100 1314053152 /nfs/dbraw/zinc/05/31/52/1314053152.db2.gz GORFZNSGFADDTR-RTWAWAEBSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942100 1314053154 /nfs/dbraw/zinc/05/31/54/1314053154.db2.gz GORFZNSGFADDTR-RTWAWAEBSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001202531298 1305499038 /nfs/dbraw/zinc/49/90/38/1305499038.db2.gz FETIVZRHOJPHBQ-POGDKVGISA-N 1 3 329.488 2.621 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965291 1314060251 /nfs/dbraw/zinc/06/02/51/1314060251.db2.gz YFQBQIOZUIVTNX-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965291 1314060255 /nfs/dbraw/zinc/06/02/55/1314060255.db2.gz YFQBQIOZUIVTNX-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO COc1cc(NC2=CCN(C)CC2)ccc1OCC[NH+]1CCCC1 ZINC001208978893 1314063170 /nfs/dbraw/zinc/06/31/70/1314063170.db2.gz FGGDATRTOLYKHK-UHFFFAOYSA-N 1 3 331.460 2.801 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]C(C)C ZINC001037981093 1305573621 /nfs/dbraw/zinc/57/36/21/1305573621.db2.gz BVTIWADQOHVZEP-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC000870905914 1305671435 /nfs/dbraw/zinc/67/14/35/1305671435.db2.gz GDDRHRLPEQOFLM-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018867287 1314071957 /nfs/dbraw/zinc/07/19/57/1314071957.db2.gz KZGLBECUWIZLNG-OWCLPIDISA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001018867287 1314071961 /nfs/dbraw/zinc/07/19/61/1314071961.db2.gz KZGLBECUWIZLNG-OWCLPIDISA-N 1 3 349.906 2.679 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000870966575 1305715715 /nfs/dbraw/zinc/71/57/15/1305715715.db2.gz MHFXDYKNWBFKSL-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+]1CCC(C2CCN(CCOC(=O)c3ccccc3)CC2)CC1 ZINC001209046108 1314078263 /nfs/dbraw/zinc/07/82/63/1314078263.db2.gz ZAVPIYRBCZBCJK-UHFFFAOYSA-N 1 3 330.472 2.897 20 0 EFADHO CCC[N@H+](Cc1cccc(Br)c1)C[C@@]1(O)CCCNC1 ZINC001246046753 1314573595 /nfs/dbraw/zinc/57/35/95/1314573595.db2.gz QPQHOKZFAYUOTC-MRXNPFEDSA-N 1 3 341.293 2.776 20 0 EFADHO CCC[N@@H+](Cc1cccc(Br)c1)C[C@@]1(O)CCCNC1 ZINC001246046753 1314573600 /nfs/dbraw/zinc/57/36/00/1314573600.db2.gz QPQHOKZFAYUOTC-MRXNPFEDSA-N 1 3 341.293 2.776 20 0 EFADHO Brc1ccc2c(c1)C[C@H](NC[C@]13CCC[C@H]1C[NH2+]C3)C2 ZINC001246132029 1314586599 /nfs/dbraw/zinc/58/65/99/1314586599.db2.gz XRUOVXXKIGRPLJ-USXIJHARSA-N 1 3 335.289 2.896 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141467 1305945830 /nfs/dbraw/zinc/94/58/30/1305945830.db2.gz FKWVQVHXIGDUDA-APWZRJJASA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141467 1305945833 /nfs/dbraw/zinc/94/58/33/1305945833.db2.gz FKWVQVHXIGDUDA-APWZRJJASA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141482 1305953791 /nfs/dbraw/zinc/95/37/91/1305953791.db2.gz FNETVSBAHRQUER-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141482 1305953802 /nfs/dbraw/zinc/95/38/02/1305953802.db2.gz FNETVSBAHRQUER-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO Cc1noc(C)c1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276620736 1314102559 /nfs/dbraw/zinc/10/25/59/1314102559.db2.gz KQUQLZHNMLCDLX-IBGZPJMESA-N 1 3 334.508 2.531 20 0 EFADHO Cc1noc(C)c1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276620736 1314102561 /nfs/dbraw/zinc/10/25/61/1314102561.db2.gz KQUQLZHNMLCDLX-IBGZPJMESA-N 1 3 334.508 2.531 20 0 EFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCCc3ccncc3)C2)C1 ZINC001209185583 1314109585 /nfs/dbraw/zinc/10/95/85/1314109585.db2.gz UIHDFWAGCCTXJS-NHCUHLMSSA-N 1 3 343.515 2.695 20 0 EFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCCc3ccncc3)C2)C1 ZINC001209185583 1314109586 /nfs/dbraw/zinc/10/95/86/1314109586.db2.gz UIHDFWAGCCTXJS-NHCUHLMSSA-N 1 3 343.515 2.695 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)CCC1 ZINC001018963212 1314112817 /nfs/dbraw/zinc/11/28/17/1314112817.db2.gz DOHJXDZJPWFARK-IBGZPJMESA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001276623594 1314113508 /nfs/dbraw/zinc/11/35/08/1314113508.db2.gz IYUXTTMPISHHPM-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001276623594 1314113510 /nfs/dbraw/zinc/11/35/10/1314113510.db2.gz IYUXTTMPISHHPM-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001018968043 1314114771 /nfs/dbraw/zinc/11/47/71/1314114771.db2.gz QOYWJHNYUBQXEO-ROUUACIJSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001018968043 1314114774 /nfs/dbraw/zinc/11/47/74/1314114774.db2.gz QOYWJHNYUBQXEO-ROUUACIJSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001018999012 1314126383 /nfs/dbraw/zinc/12/63/83/1314126383.db2.gz CPMXAZYVIRZTCW-IHPCNDPISA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001018999185 1314126536 /nfs/dbraw/zinc/12/65/36/1314126536.db2.gz JBGSGLGRYVIWBB-FHWLQOOXSA-N 1 3 331.504 2.914 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001019000674 1314127319 /nfs/dbraw/zinc/12/73/19/1314127319.db2.gz IQGUEMPOIPSXOR-OALUTQOASA-N 1 3 331.504 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001019002072 1314128577 /nfs/dbraw/zinc/12/85/77/1314128577.db2.gz GOHSIXNYNSHTNP-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000968645430 1306530194 /nfs/dbraw/zinc/53/01/94/1306530194.db2.gz ZRQSVNTZMIEOGJ-IEBWSBKVSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000968645430 1306530200 /nfs/dbraw/zinc/53/02/00/1306530200.db2.gz ZRQSVNTZMIEOGJ-IEBWSBKVSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001209304191 1314136108 /nfs/dbraw/zinc/13/61/08/1314136108.db2.gz OKWKVKCBQTVCBV-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC001019033205 1314143496 /nfs/dbraw/zinc/14/34/96/1314143496.db2.gz DPWHVJAQCKREON-VQTJNVASSA-N 1 3 339.483 2.871 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001019033154 1314143729 /nfs/dbraw/zinc/14/37/29/1314143729.db2.gz BHOUGQPNCGWUEJ-HACGYAERSA-N 1 3 339.430 2.557 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968856322 1306726999 /nfs/dbraw/zinc/72/69/99/1306726999.db2.gz HFRFNBNEWBFOPP-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968856322 1306727004 /nfs/dbraw/zinc/72/70/04/1306727004.db2.gz HFRFNBNEWBFOPP-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)CC[N@@H+]1C ZINC000968863367 1306734816 /nfs/dbraw/zinc/73/48/16/1306734816.db2.gz GFTNPKCORNPKKS-BPQIPLTHSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)CC[N@H+]1C ZINC000968863367 1306734817 /nfs/dbraw/zinc/73/48/17/1306734817.db2.gz GFTNPKCORNPKKS-BPQIPLTHSA-N 1 3 349.544 2.949 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968882118 1306754438 /nfs/dbraw/zinc/75/44/38/1306754438.db2.gz HJOREFAMTJGCKL-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968882118 1306754443 /nfs/dbraw/zinc/75/44/43/1306754443.db2.gz HJOREFAMTJGCKL-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742909 1306766446 /nfs/dbraw/zinc/76/64/46/1306766446.db2.gz JIFHGCSQDGFGTK-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044748493 1306770286 /nfs/dbraw/zinc/77/02/86/1306770286.db2.gz DNCUYPWBGFRZRF-WMZOPIPTSA-N 1 3 340.471 2.738 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748839 1306770814 /nfs/dbraw/zinc/77/08/14/1306770814.db2.gz GAESULZEXVPVDS-WMLDXEAASA-N 1 3 344.434 2.591 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1C ZINC001044749447 1306770847 /nfs/dbraw/zinc/77/08/47/1306770847.db2.gz KFELLIXOGKKRTN-SJLPKXTDSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044750138 1306771504 /nfs/dbraw/zinc/77/15/04/1306771504.db2.gz MZQQJYUJEMXZTM-RHSMWYFYSA-N 1 3 344.434 2.569 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c(C)c1 ZINC001044753392 1306774118 /nfs/dbraw/zinc/77/41/18/1306774118.db2.gz BZZQPHGLGQRFRE-SJLPKXTDSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968904109 1306777219 /nfs/dbraw/zinc/77/72/19/1306777219.db2.gz JNVNDKGYNRMHSJ-QGZVFWFLSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(Cl)c1 ZINC000968912640 1306786497 /nfs/dbraw/zinc/78/64/97/1306786497.db2.gz NIQNKGDGVCVUNM-SJLPKXTDSA-N 1 3 349.906 2.679 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000968922171 1306798790 /nfs/dbraw/zinc/79/87/90/1306798790.db2.gz UAMVHVRZMSKDTD-IEBWSBKVSA-N 1 3 329.488 2.813 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)C1CCC1 ZINC000968921653 1306798918 /nfs/dbraw/zinc/79/89/18/1306798918.db2.gz DIQRACCLOYLCHB-YLJYHZDGSA-N 1 3 341.499 2.739 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)C1CCC1 ZINC000968921652 1306799313 /nfs/dbraw/zinc/79/93/13/1306799313.db2.gz DIQRACCLOYLCHB-XLIONFOSSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000968924347 1306801251 /nfs/dbraw/zinc/80/12/51/1306801251.db2.gz CLGNGLLVMLVZAK-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044792883 1306805342 /nfs/dbraw/zinc/80/53/42/1306805342.db2.gz MVOTTWNLYLINOI-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968928381 1306807564 /nfs/dbraw/zinc/80/75/64/1306807564.db2.gz JRBVANWDQFXDHS-QZTJIDSGSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968928381 1306807558 /nfs/dbraw/zinc/80/75/58/1306807558.db2.gz JRBVANWDQFXDHS-QZTJIDSGSA-N 1 3 341.515 2.827 20 0 EFADHO CCC[NH+]1C[C@H]2CN(CCCCCNC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209377108 1314149781 /nfs/dbraw/zinc/14/97/81/1314149781.db2.gz XRWYXFNBAPKTPJ-IRXDYDNUSA-N 1 3 339.524 2.955 20 0 EFADHO CCCN1C[C@H]2C[NH+](CCCCCNC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209377108 1314149784 /nfs/dbraw/zinc/14/97/84/1314149784.db2.gz XRWYXFNBAPKTPJ-IRXDYDNUSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC000968990184 1306866221 /nfs/dbraw/zinc/86/62/21/1306866221.db2.gz WRUPRUIQJCUZIL-ZMYBRWDISA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC000968989206 1306866321 /nfs/dbraw/zinc/86/63/21/1306866321.db2.gz DSRBNCCZDUKXLO-RKVPGOIHSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000968989540 1306866428 /nfs/dbraw/zinc/86/64/28/1306866428.db2.gz IVBQXMDXPQDXMU-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044856660 1306867491 /nfs/dbraw/zinc/86/74/91/1306867491.db2.gz BHQCBMDKFIYEEF-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044857853 1306868100 /nfs/dbraw/zinc/86/81/00/1306868100.db2.gz OLRRFIMCIFGYMP-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC001044857494 1306868191 /nfs/dbraw/zinc/86/81/91/1306868191.db2.gz KEOJVWJSTGXLOZ-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857484 1306868216 /nfs/dbraw/zinc/86/82/16/1306868216.db2.gz KDFPNUPJFPMBNA-VQIMIIECSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857482 1306868576 /nfs/dbraw/zinc/86/85/76/1306868576.db2.gz KDFPNUPJFPMBNA-LPHOPBHVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857483 1306868755 /nfs/dbraw/zinc/86/87/55/1306868755.db2.gz KDFPNUPJFPMBNA-QFBILLFUSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044859055 1306868984 /nfs/dbraw/zinc/86/89/84/1306868984.db2.gz ZIOXIEGFLYSRDN-RBUKOAKNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1F ZINC001044858862 1306869683 /nfs/dbraw/zinc/86/96/83/1306869683.db2.gz WQDDUHZZTSUDGR-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC000968996689 1306873111 /nfs/dbraw/zinc/87/31/11/1306873111.db2.gz MTTIKXBZYBRWHR-XHSDSOJGSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c(C)s1 ZINC001044865085 1306876553 /nfs/dbraw/zinc/87/65/53/1306876553.db2.gz NGPFTBULEJFNLX-KDOFPFPSSA-N 1 3 349.544 2.930 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044868309 1306879297 /nfs/dbraw/zinc/87/92/97/1306879297.db2.gz SLVARDMJUGJLCI-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC000969074408 1306948518 /nfs/dbraw/zinc/94/85/18/1306948518.db2.gz BTFDTCXKQLGBJM-CZUORRHYSA-N 1 3 341.858 2.510 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC000969076572 1306949173 /nfs/dbraw/zinc/94/91/73/1306949173.db2.gz BHOUGQPNCGWUEJ-DXCKQFNASA-N 1 3 339.430 2.557 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC000969077054 1306951366 /nfs/dbraw/zinc/95/13/66/1306951366.db2.gz JRTKWOGFNVUUSA-KZNAEPCWSA-N 1 3 335.467 2.808 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001044960197 1306956487 /nfs/dbraw/zinc/95/64/87/1306956487.db2.gz YPWKMTPXCXDMHW-DOTOQJQBSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209410839 1314158647 /nfs/dbraw/zinc/15/86/47/1314158647.db2.gz ASIXZUYHDJALFT-IEBWSBKVSA-N 1 3 329.488 2.652 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001045066897 1307029463 /nfs/dbraw/zinc/02/94/63/1307029463.db2.gz IBXDZVLXICFLRP-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001045067610 1307031685 /nfs/dbraw/zinc/03/16/85/1307031685.db2.gz VGFHDXRBNSMWOQ-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001045067858 1307031937 /nfs/dbraw/zinc/03/19/37/1307031937.db2.gz BPJJTDZYCZXODD-PKOBYXMFSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cs1 ZINC001045070297 1307032241 /nfs/dbraw/zinc/03/22/41/1307032241.db2.gz BMOSWLYYVPMLSN-KRWDZBQOSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c(C)s1 ZINC001045070306 1307032376 /nfs/dbraw/zinc/03/23/76/1307032376.db2.gz BYHWNAQGTZBQNF-SFHVURJKSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001045070654 1307033671 /nfs/dbraw/zinc/03/36/71/1307033671.db2.gz PRDTWADBUCCCOS-KXBFYZLASA-N 1 3 347.478 2.952 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC001045070724 1307033761 /nfs/dbraw/zinc/03/37/61/1307033761.db2.gz SSEMHUGCMGEMCW-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC001045070629 1307034123 /nfs/dbraw/zinc/03/41/23/1307034123.db2.gz OKQHUZVHYKCOPO-SFHVURJKSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C)N(C)C ZINC001045089405 1307045360 /nfs/dbraw/zinc/04/53/60/1307045360.db2.gz HTSRJWKYWDQMKX-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C)c1 ZINC001045093295 1307048914 /nfs/dbraw/zinc/04/89/14/1307048914.db2.gz UBNHXNPNHFCRTH-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO O=C(NC1CCC1)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209450001 1314165268 /nfs/dbraw/zinc/16/52/68/1314165268.db2.gz GMXYLURLBYRHOH-GOSISDBHSA-N 1 3 333.520 2.633 20 0 EFADHO C(CN1CCCCC1)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001209451752 1314165661 /nfs/dbraw/zinc/16/56/61/1314165661.db2.gz QFAJUNRDXQKNFN-VAMGGRTRSA-N 1 3 336.520 2.911 20 0 EFADHO C(CN1CCCCC1)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001209451752 1314165665 /nfs/dbraw/zinc/16/56/65/1314165665.db2.gz QFAJUNRDXQKNFN-VAMGGRTRSA-N 1 3 336.520 2.911 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001045187142 1307122508 /nfs/dbraw/zinc/12/25/08/1307122508.db2.gz DQKJWQOSVBVYJT-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001045187396 1307123471 /nfs/dbraw/zinc/12/34/71/1307123471.db2.gz MEINLJGAURGXTM-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001045199442 1307133780 /nfs/dbraw/zinc/13/37/80/1307133780.db2.gz AAFQKKFNPMSJLM-YJBOKZPZSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)c1 ZINC001045200216 1307134971 /nfs/dbraw/zinc/13/49/71/1307134971.db2.gz QIDPRZHXHQGRCR-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001045200368 1307135042 /nfs/dbraw/zinc/13/50/42/1307135042.db2.gz WBLUZUOXPDNBDV-KXBFYZLASA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001045205264 1307137240 /nfs/dbraw/zinc/13/72/40/1307137240.db2.gz HWGYBFLMKPFPAH-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015564 1307144710 /nfs/dbraw/zinc/14/47/10/1307144710.db2.gz KMWYYJBQBODHBR-PASDCYSWSA-N 1 3 339.499 2.576 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015564 1307144714 /nfs/dbraw/zinc/14/47/14/1307144714.db2.gz KMWYYJBQBODHBR-PASDCYSWSA-N 1 3 339.499 2.576 20 0 EFADHO CN(Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)nc1)C1CC1 ZINC001241977813 1314169041 /nfs/dbraw/zinc/16/90/41/1314169041.db2.gz YGBRDYPGOYASAD-UHFFFAOYSA-N 1 3 336.483 2.748 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2=CCCCC2)CC1 ZINC001045251010 1307175901 /nfs/dbraw/zinc/17/59/01/1307175901.db2.gz AKQNHOIDQWJBOF-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC001045273596 1307194445 /nfs/dbraw/zinc/19/44/45/1307194445.db2.gz PRQGEJVOKVKLIG-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001045273596 1307194451 /nfs/dbraw/zinc/19/44/51/1307194451.db2.gz PRQGEJVOKVKLIG-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO O=C([C@@H]1CC2CC[NH+]1CC2)N1C[C@H]2C[C@@H](C1)N2CCC1CCCCC1 ZINC001276646992 1314173552 /nfs/dbraw/zinc/17/35/52/1314173552.db2.gz TZAMBEYACDPTSR-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)s1 ZINC001045309672 1307230252 /nfs/dbraw/zinc/23/02/52/1307230252.db2.gz BAEYYFGOSQSGJI-KRWDZBQOSA-N 1 3 335.517 2.541 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001045311537 1307230603 /nfs/dbraw/zinc/23/06/03/1307230603.db2.gz MRVUKHUZHQGYFN-AZUAARDMSA-N 1 3 341.499 2.740 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001045321567 1307239903 /nfs/dbraw/zinc/23/99/03/1307239903.db2.gz WRZTWRGNUSAWDF-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001045438304 1307338267 /nfs/dbraw/zinc/33/82/67/1307338267.db2.gz OQXNCEPJQGNBIT-DAWZGUTISA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001045438634 1307339417 /nfs/dbraw/zinc/33/94/17/1307339417.db2.gz UQDSXJKQAFUESH-CVEARBPZSA-N 1 3 327.488 2.578 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007324766 1307367239 /nfs/dbraw/zinc/36/72/39/1307367239.db2.gz FKHMMMAXPMDDTH-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007324766 1307367241 /nfs/dbraw/zinc/36/72/41/1307367241.db2.gz FKHMMMAXPMDDTH-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001007376471 1307397755 /nfs/dbraw/zinc/39/77/55/1307397755.db2.gz KJYJJIWNCPBXCM-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001007376471 1307397759 /nfs/dbraw/zinc/39/77/59/1307397759.db2.gz KJYJJIWNCPBXCM-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455788 1307446265 /nfs/dbraw/zinc/44/62/65/1307446265.db2.gz DPCDJMHIJRDYIY-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455788 1307446267 /nfs/dbraw/zinc/44/62/67/1307446267.db2.gz DPCDJMHIJRDYIY-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639941 1307492568 /nfs/dbraw/zinc/49/25/68/1307492568.db2.gz VVPYFVIOZFZGNA-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045639941 1307492572 /nfs/dbraw/zinc/49/25/72/1307492572.db2.gz VVPYFVIOZFZGNA-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640144 1307492675 /nfs/dbraw/zinc/49/26/75/1307492675.db2.gz GWKQGYWYXHSBCK-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640144 1307492678 /nfs/dbraw/zinc/49/26/78/1307492678.db2.gz GWKQGYWYXHSBCK-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(CC13CC(NC(=O)OC(C)(C)C)(C1)C3)C2 ZINC001276653804 1314192214 /nfs/dbraw/zinc/19/22/14/1314192214.db2.gz SENBYBCXDXUVBL-HDYDNRTBSA-N 1 3 349.519 2.852 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(CC13CC(NC(=O)OC(C)(C)C)(C1)C3)C2 ZINC001276653804 1314192215 /nfs/dbraw/zinc/19/22/15/1314192215.db2.gz SENBYBCXDXUVBL-HDYDNRTBSA-N 1 3 349.519 2.852 20 0 EFADHO O=C(N[C@H]1CCCN(CC2=CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618733 1307528685 /nfs/dbraw/zinc/52/86/85/1307528685.db2.gz LFDDSXWAELKLFP-IBGZPJMESA-N 1 3 345.531 2.943 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001007649751 1307542697 /nfs/dbraw/zinc/54/26/97/1307542697.db2.gz WZLQEFDLAZTZQT-SJORKVTESA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001007649751 1307542703 /nfs/dbraw/zinc/54/27/03/1307542703.db2.gz WZLQEFDLAZTZQT-SJORKVTESA-N 1 3 335.517 2.621 20 0 EFADHO Nc1ccc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)cn1 ZINC001276654760 1314194488 /nfs/dbraw/zinc/19/44/88/1314194488.db2.gz UTZKDEFEHZTUAX-RBUKOAKNSA-N 1 3 325.460 2.717 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045776267 1307587578 /nfs/dbraw/zinc/58/75/78/1307587578.db2.gz NHFCDQNJBMWOCX-QYZOEREBSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045776267 1307587581 /nfs/dbraw/zinc/58/75/81/1307587581.db2.gz NHFCDQNJBMWOCX-QYZOEREBSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1NCCn2c(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)ccc21 ZINC000900003755 1307590447 /nfs/dbraw/zinc/59/04/47/1307590447.db2.gz DCRDAJJUVGRZGT-ZDUSSCGKSA-N 1 3 337.427 2.931 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001045780775 1307591929 /nfs/dbraw/zinc/59/19/29/1307591929.db2.gz WDJPTQMELJNBBW-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001045780775 1307591931 /nfs/dbraw/zinc/59/19/31/1307591931.db2.gz WDJPTQMELJNBBW-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ncsc1CN1CCC2(CN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658492 1314201916 /nfs/dbraw/zinc/20/19/16/1314201916.db2.gz NBFJVVBUPMNEQY-UHFFFAOYSA-N 1 3 336.549 2.547 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCC1 ZINC001045823774 1307698856 /nfs/dbraw/zinc/69/88/56/1307698856.db2.gz BZTFXXZRKSHFBK-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCC1 ZINC001045823774 1307698859 /nfs/dbraw/zinc/69/88/59/1307698859.db2.gz BZTFXXZRKSHFBK-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N(C)C ZINC001045841861 1307728776 /nfs/dbraw/zinc/72/87/76/1307728776.db2.gz PFHQNLRMSLFVIU-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N(C)C ZINC001045841861 1307728782 /nfs/dbraw/zinc/72/87/82/1307728782.db2.gz PFHQNLRMSLFVIU-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001209641352 1314207158 /nfs/dbraw/zinc/20/71/58/1314207158.db2.gz JARHTDMQXWPYHY-TXDDUOMGSA-N 1 3 345.890 2.532 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209643690 1314207983 /nfs/dbraw/zinc/20/79/83/1314207983.db2.gz VJTOCGNJHPOTOW-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001209642519 1314208038 /nfs/dbraw/zinc/20/80/38/1314208038.db2.gz OHTGTMBAKDHIPA-LSDHHAIUSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644012 1314208445 /nfs/dbraw/zinc/20/84/45/1314208445.db2.gz YHRZVFJKXIJZEH-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001209644193 1314208547 /nfs/dbraw/zinc/20/85/47/1314208547.db2.gz ZQAYGYRITJYBGR-LKUKICGVSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001209644194 1314208703 /nfs/dbraw/zinc/20/87/03/1314208703.db2.gz ZQAYGYRITJYBGR-NKSPSUOSSA-N 1 3 341.499 2.622 20 0 EFADHO O=C(N[C@H]1CCC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008052376 1307787198 /nfs/dbraw/zinc/78/71/98/1307787198.db2.gz KYYGZPUWHJCPBY-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008052376 1307787200 /nfs/dbraw/zinc/78/72/00/1307787200.db2.gz KYYGZPUWHJCPBY-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)c1 ZINC001045894563 1307829870 /nfs/dbraw/zinc/82/98/70/1307829870.db2.gz FTWUCWYGJPWWNB-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCF)c1 ZINC001045894563 1307829874 /nfs/dbraw/zinc/82/98/74/1307829874.db2.gz FTWUCWYGJPWWNB-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001209669817 1314213617 /nfs/dbraw/zinc/21/36/17/1314213617.db2.gz UVNMKIGEIIOJAX-UXHICEINSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001276664118 1314215558 /nfs/dbraw/zinc/21/55/58/1314215558.db2.gz LVKCQXGGAAWVQM-PMACEKPBSA-N 1 3 345.531 2.992 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1 ZINC001276664118 1314215561 /nfs/dbraw/zinc/21/55/61/1314215561.db2.gz LVKCQXGGAAWVQM-PMACEKPBSA-N 1 3 345.531 2.992 20 0 EFADHO C[NH2+][C@@]12CC[C@@](NCCc3c(Cl)ncnc3Cl)(C1)CCC2 ZINC001276664968 1314217984 /nfs/dbraw/zinc/21/79/84/1314217984.db2.gz CIJPILCVHPKZQQ-LSDHHAIUSA-N 1 3 329.275 2.980 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942849 1307954744 /nfs/dbraw/zinc/95/47/44/1307954744.db2.gz BFSNPIURYMIKRK-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001045942849 1307954748 /nfs/dbraw/zinc/95/47/48/1307954748.db2.gz BFSNPIURYMIKRK-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942989 1307955618 /nfs/dbraw/zinc/95/56/18/1307955618.db2.gz DUXKAXFCRUSVMV-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942989 1307955623 /nfs/dbraw/zinc/95/56/23/1307955623.db2.gz DUXKAXFCRUSVMV-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@H+](CCCF)C3)C2)CCC1 ZINC001045943067 1307956935 /nfs/dbraw/zinc/95/69/35/1307956935.db2.gz FVVYNMYXMLUISP-SFHVURJKSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@@H+](CCCF)C3)C2)CCC1 ZINC001045943067 1307956939 /nfs/dbraw/zinc/95/69/39/1307956939.db2.gz FVVYNMYXMLUISP-SFHVURJKSA-N 1 3 339.499 2.535 20 0 EFADHO C[N@H+]1CC[C@H]2CN(CCc3c(Cl)ncnc3Cl)C[C@H]2CC1 ZINC001276666062 1314219857 /nfs/dbraw/zinc/21/98/57/1314219857.db2.gz XXGJKAJDHFGFIM-TXEJJXNPSA-N 1 3 329.275 2.600 20 0 EFADHO C[N@@H+]1CC[C@H]2CN(CCc3c(Cl)ncnc3Cl)C[C@H]2CC1 ZINC001276666062 1314219861 /nfs/dbraw/zinc/21/98/61/1314219861.db2.gz XXGJKAJDHFGFIM-TXEJJXNPSA-N 1 3 329.275 2.600 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)CC[N@@H+]1C ZINC001008297698 1307971051 /nfs/dbraw/zinc/97/10/51/1307971051.db2.gz DMGUYLRIBKNIER-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)CC[N@H+]1C ZINC001008297698 1307971054 /nfs/dbraw/zinc/97/10/54/1307971054.db2.gz DMGUYLRIBKNIER-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001008299368 1307971740 /nfs/dbraw/zinc/97/17/40/1307971740.db2.gz PUJSUKICXKXABK-YTQUADARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001008299368 1307971744 /nfs/dbraw/zinc/97/17/44/1307971744.db2.gz PUJSUKICXKXABK-YTQUADARSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001008299998 1307973015 /nfs/dbraw/zinc/97/30/15/1307973015.db2.gz TVOILYXTINHCRR-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001008299998 1307973021 /nfs/dbraw/zinc/97/30/21/1307973021.db2.gz TVOILYXTINHCRR-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCc3cccs3)C2)CC[N@@H+]1C ZINC001008313664 1307983701 /nfs/dbraw/zinc/98/37/01/1307983701.db2.gz MNABTKXNWVDZQB-ULQDDVLXSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(CCc3cccs3)C2)CC[N@H+]1C ZINC001008313664 1307983706 /nfs/dbraw/zinc/98/37/06/1307983706.db2.gz MNABTKXNWVDZQB-ULQDDVLXSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045957976 1307997862 /nfs/dbraw/zinc/99/78/62/1307997862.db2.gz ILVFCKQQDSSVOX-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045957976 1307997863 /nfs/dbraw/zinc/99/78/63/1307997863.db2.gz ILVFCKQQDSSVOX-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900335622 1308000320 /nfs/dbraw/zinc/00/03/20/1308000320.db2.gz ZKIKFAFTCIXUTJ-GSEOLPGOSA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000900335622 1308000327 /nfs/dbraw/zinc/00/03/27/1308000327.db2.gz ZKIKFAFTCIXUTJ-GSEOLPGOSA-N 1 3 341.499 2.955 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001045964931 1308017340 /nfs/dbraw/zinc/01/73/40/1308017340.db2.gz AFKIWVWPZGPYRF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001045964931 1308017345 /nfs/dbraw/zinc/01/73/45/1308017345.db2.gz AFKIWVWPZGPYRF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001045965033 1308018271 /nfs/dbraw/zinc/01/82/71/1308018271.db2.gz BNBSXZBUYFDUSL-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001045965033 1308018279 /nfs/dbraw/zinc/01/82/79/1308018279.db2.gz BNBSXZBUYFDUSL-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001045966235 1308021583 /nfs/dbraw/zinc/02/15/83/1308021583.db2.gz RIYRDDVCHXEUDP-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045966235 1308021585 /nfs/dbraw/zinc/02/15/85/1308021585.db2.gz RIYRDDVCHXEUDP-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO Cc1c(F)cc(CN2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1F ZINC001276670333 1314223689 /nfs/dbraw/zinc/22/36/89/1314223689.db2.gz AKMWYLDLVYYLFF-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO Nc1ccncc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209732757 1314225479 /nfs/dbraw/zinc/22/54/79/1314225479.db2.gz DFZNGWAACRFVHL-MOPGFXCFSA-N 1 3 336.483 2.838 20 0 EFADHO Nc1ccncc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209732757 1314225483 /nfs/dbraw/zinc/22/54/83/1314225483.db2.gz DFZNGWAACRFVHL-MOPGFXCFSA-N 1 3 336.483 2.838 20 0 EFADHO c1ncc(C2=CC[C@@H]([NH+]3CCCC3)CC2)nc1OCCN1CCCC1 ZINC001242687747 1314225603 /nfs/dbraw/zinc/22/56/03/1314225603.db2.gz ARUVEPRMFFSCGU-GOSISDBHSA-N 1 3 342.487 2.983 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001008508571 1308124449 /nfs/dbraw/zinc/12/44/49/1308124449.db2.gz IMNXJDBXOMLKNW-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001008508571 1308124451 /nfs/dbraw/zinc/12/44/51/1308124451.db2.gz IMNXJDBXOMLKNW-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001008508573 1308124521 /nfs/dbraw/zinc/12/45/21/1308124521.db2.gz IMNXJDBXOMLKNW-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001008508573 1308124526 /nfs/dbraw/zinc/12/45/26/1308124526.db2.gz IMNXJDBXOMLKNW-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136454 1308125123 /nfs/dbraw/zinc/12/51/23/1308125123.db2.gz DBJRSHRHQUBRRP-XEYPJELSSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136454 1308125127 /nfs/dbraw/zinc/12/51/27/1308125127.db2.gz DBJRSHRHQUBRRP-XEYPJELSSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510461 1308125239 /nfs/dbraw/zinc/12/52/39/1308125239.db2.gz REAMTZZMOPKCPQ-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510461 1308125242 /nfs/dbraw/zinc/12/52/42/1308125242.db2.gz REAMTZZMOPKCPQ-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511301 1308126140 /nfs/dbraw/zinc/12/61/40/1308126140.db2.gz WFPFWLWVKSFECL-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511301 1308126142 /nfs/dbraw/zinc/12/61/42/1308126142.db2.gz WFPFWLWVKSFECL-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511299 1308126352 /nfs/dbraw/zinc/12/63/52/1308126352.db2.gz WFPFWLWVKSFECL-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511299 1308126357 /nfs/dbraw/zinc/12/63/57/1308126357.db2.gz WFPFWLWVKSFECL-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F ZINC001413152795 1308171149 /nfs/dbraw/zinc/17/11/49/1308171149.db2.gz NSGRYXGTWCDMKB-SFHVURJKSA-N 1 3 344.430 2.691 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC001413152795 1308171155 /nfs/dbraw/zinc/17/11/55/1308171155.db2.gz NSGRYXGTWCDMKB-SFHVURJKSA-N 1 3 344.430 2.691 20 0 EFADHO CN(C)CC1(C[NH2+]Cc2cn(C)nc2-c2cccnc2)CCCC1 ZINC001413157075 1308177486 /nfs/dbraw/zinc/17/74/86/1308177486.db2.gz WKYNJEIECPEXSZ-UHFFFAOYSA-N 1 3 327.476 2.694 20 0 EFADHO Cc1ccc(OC(C)C)cc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001278353523 1314237497 /nfs/dbraw/zinc/23/74/97/1314237497.db2.gz IHWLLRFDLOXELX-UHFFFAOYSA-N 1 3 345.531 2.852 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009200831 1308427489 /nfs/dbraw/zinc/42/74/89/1308427489.db2.gz HHXOXCIMPROOSJ-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009200831 1308427490 /nfs/dbraw/zinc/42/74/90/1308427490.db2.gz HHXOXCIMPROOSJ-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009200829 1308427824 /nfs/dbraw/zinc/42/78/24/1308427824.db2.gz HHXOXCIMPROOSJ-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009200829 1308427828 /nfs/dbraw/zinc/42/78/28/1308427828.db2.gz HHXOXCIMPROOSJ-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200852 1308427883 /nfs/dbraw/zinc/42/78/83/1308427883.db2.gz HTIJTOQIFCWWTK-MSOLQXFVSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200852 1308427885 /nfs/dbraw/zinc/42/78/85/1308427885.db2.gz HTIJTOQIFCWWTK-MSOLQXFVSA-N 1 3 349.544 2.603 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001209836785 1314247449 /nfs/dbraw/zinc/24/74/49/1314247449.db2.gz NKHMEVZYTKXRFI-GOSISDBHSA-N 1 3 340.471 2.556 20 0 EFADHO c1c[nH]c(C[NH2+][C@@]23CC[C@@](NCc4n[nH]c5c4CCC5)(C2)CCC3)c1 ZINC001276674589 1314250958 /nfs/dbraw/zinc/25/09/58/1314250958.db2.gz QYJJVCIICDKXMS-VQTJNVASSA-N 1 3 339.487 2.951 20 0 EFADHO CCN1CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC001413193754 1308498700 /nfs/dbraw/zinc/49/87/00/1308498700.db2.gz YCSSJHQOMDYPQC-MRXNPFEDSA-N 1 3 339.842 2.658 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCc2ccccc2)C1 ZINC001046315265 1308530364 /nfs/dbraw/zinc/53/03/64/1308530364.db2.gz IWHMZMUJXOGLAT-PZJWPPBQSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCc2ccccc2)C1 ZINC001046315265 1308530369 /nfs/dbraw/zinc/53/03/69/1308530369.db2.gz IWHMZMUJXOGLAT-PZJWPPBQSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009629718 1308591511 /nfs/dbraw/zinc/59/15/11/1308591511.db2.gz UWGVGVQCJIJOEH-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009629718 1308591515 /nfs/dbraw/zinc/59/15/15/1308591515.db2.gz UWGVGVQCJIJOEH-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374249 1308596625 /nfs/dbraw/zinc/59/66/25/1308596625.db2.gz FSOPDJTZRVNKDX-CTNGQTDRSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374249 1308596628 /nfs/dbraw/zinc/59/66/28/1308596628.db2.gz FSOPDJTZRVNKDX-CTNGQTDRSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001209954809 1314263680 /nfs/dbraw/zinc/26/36/80/1314263680.db2.gz ZDSAMOSIKJFDAN-MSOLQXFVSA-N 1 3 341.515 2.970 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)CC1 ZINC001209950238 1314262760 /nfs/dbraw/zinc/26/27/60/1314262760.db2.gz DGBJVVLWKMAFPO-AWEZNQCLSA-N 1 3 348.318 2.618 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001209951218 1314262915 /nfs/dbraw/zinc/26/29/15/1314262915.db2.gz KGCQRGULWYJEDW-VKFONMJVSA-N 1 3 327.900 2.582 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCCCC1 ZINC001096100833 1308724780 /nfs/dbraw/zinc/72/47/80/1308724780.db2.gz ISZVNPFIDXRITH-NQYYFHDYSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCCCC1 ZINC001096100833 1308724784 /nfs/dbraw/zinc/72/47/84/1308724784.db2.gz ISZVNPFIDXRITH-NQYYFHDYSA-N 1 3 333.520 2.773 20 0 EFADHO [NH3+]CCN1CCN(Cc2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC001209976664 1314266974 /nfs/dbraw/zinc/26/69/74/1314266974.db2.gz XOBUXUHTNKEWKF-UHFFFAOYSA-N 1 3 334.467 2.911 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562942 1308797939 /nfs/dbraw/zinc/79/79/39/1308797939.db2.gz WNUWOUFSSZNLAB-PZJWPPBQSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562942 1308797940 /nfs/dbraw/zinc/79/79/40/1308797940.db2.gz WNUWOUFSSZNLAB-PZJWPPBQSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562941 1308798050 /nfs/dbraw/zinc/79/80/50/1308798050.db2.gz WNUWOUFSSZNLAB-FPOVZHCZSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562941 1308798054 /nfs/dbraw/zinc/79/80/54/1308798054.db2.gz WNUWOUFSSZNLAB-FPOVZHCZSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC001046588767 1308849472 /nfs/dbraw/zinc/84/94/72/1308849472.db2.gz SFJRZHWZRULNDL-LJQANCHMSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC001046588765 1308849657 /nfs/dbraw/zinc/84/96/57/1308849657.db2.gz SFJRZHWZRULNDL-IBGZPJMESA-N 1 3 349.544 2.787 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C ZINC001210032886 1314273232 /nfs/dbraw/zinc/27/32/32/1314273232.db2.gz CWLSAIYBPJDTNN-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1C ZINC001210032886 1314273236 /nfs/dbraw/zinc/27/32/36/1314273236.db2.gz CWLSAIYBPJDTNN-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853295 1314273565 /nfs/dbraw/zinc/27/35/65/1314273565.db2.gz KMWYYJBQBODHBR-OAFZBRQQSA-N 1 3 339.499 2.576 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853295 1314273568 /nfs/dbraw/zinc/27/35/68/1314273568.db2.gz KMWYYJBQBODHBR-OAFZBRQQSA-N 1 3 339.499 2.576 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001210041937 1314274829 /nfs/dbraw/zinc/27/48/29/1314274829.db2.gz ZDJBWJROSOHWMA-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001210041937 1314274832 /nfs/dbraw/zinc/27/48/32/1314274832.db2.gz ZDJBWJROSOHWMA-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC001052676126 1314286531 /nfs/dbraw/zinc/28/65/31/1314286531.db2.gz DGJHIYNMSGRWFW-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC001052676127 1314286767 /nfs/dbraw/zinc/28/67/67/1314286767.db2.gz DGJHIYNMSGRWFW-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)=CCN1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705436 1309137904 /nfs/dbraw/zinc/13/79/04/1309137904.db2.gz ABUBWJRUCQSGDE-FQEVSTJZSA-N 1 3 329.488 2.909 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001210183331 1314292399 /nfs/dbraw/zinc/29/23/99/1314292399.db2.gz OIXDTXXDQDFAHX-SJORKVTESA-N 1 3 329.504 2.827 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001210216907 1314296648 /nfs/dbraw/zinc/29/66/48/1314296648.db2.gz BVKZCXLTCLUHOW-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001210218225 1314296985 /nfs/dbraw/zinc/29/69/85/1314296985.db2.gz PSJPOSFZXRNCEP-BEFAXECRSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210217597 1314296991 /nfs/dbraw/zinc/29/69/91/1314296991.db2.gz JZVYVBZYRDEOPJ-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001210219863 1314297060 /nfs/dbraw/zinc/29/70/60/1314297060.db2.gz URVTUAXDFRYBNW-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001210217272 1314297092 /nfs/dbraw/zinc/29/70/92/1314297092.db2.gz FXMMBVYBYVSSHQ-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO C[C@H](CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC001413271326 1309193703 /nfs/dbraw/zinc/19/37/03/1309193703.db2.gz LSPNRWZKNBJFOM-QZTJIDSGSA-N 1 3 345.531 2.786 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001210183698 1314292886 /nfs/dbraw/zinc/29/28/86/1314292886.db2.gz QXQXWSVNSLLGKA-SIJIIQCFSA-N 1 3 329.916 2.832 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001210183701 1314292943 /nfs/dbraw/zinc/29/29/43/1314292943.db2.gz QXQXWSVNSLLGKA-YHWKNFMLSA-N 1 3 329.916 2.832 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210220909 1314297938 /nfs/dbraw/zinc/29/79/38/1314297938.db2.gz YLRCISBOEWVISR-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019381573 1314303053 /nfs/dbraw/zinc/30/30/53/1314303053.db2.gz MNDMHLXFTJHUKO-HKUYNNGSSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001019381038 1314303115 /nfs/dbraw/zinc/30/31/15/1314303115.db2.gz WMQDADGGEWORAG-STQMWFEESA-N 1 3 341.908 2.576 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001019381004 1314303204 /nfs/dbraw/zinc/30/32/04/1314303204.db2.gz VLXBQOUNEMBGKX-XLIONFOSSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001019381128 1314303377 /nfs/dbraw/zinc/30/33/77/1314303377.db2.gz YSTKXOPWCIUPQM-OLZOCXBDSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001019381128 1314303381 /nfs/dbraw/zinc/30/33/81/1314303381.db2.gz YSTKXOPWCIUPQM-OLZOCXBDSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001019381195 1314303549 /nfs/dbraw/zinc/30/35/49/1314303549.db2.gz AEBQFMBETLHGJM-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001019382436 1314304167 /nfs/dbraw/zinc/30/41/67/1314304167.db2.gz AZTIRKQCPBCFMF-XLIONFOSSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)c(C)s1 ZINC001046777954 1309336222 /nfs/dbraw/zinc/33/62/22/1309336222.db2.gz ZCFRLZKYSQMJGD-SFHVURJKSA-N 1 3 347.528 2.541 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC001019386654 1314306193 /nfs/dbraw/zinc/30/61/93/1314306193.db2.gz SJZBKTVZFBNHMR-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC001019386654 1314306195 /nfs/dbraw/zinc/30/61/95/1314306195.db2.gz SJZBKTVZFBNHMR-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001019386179 1314306605 /nfs/dbraw/zinc/30/66/05/1314306605.db2.gz HCFASRPYLNCHTE-QAPCUYQASA-N 1 3 347.478 2.809 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001019386936 1314307106 /nfs/dbraw/zinc/30/71/06/1314307106.db2.gz ZDINJKQKGATGBP-KRWDZBQOSA-N 1 3 349.906 2.762 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001019386917 1314307148 /nfs/dbraw/zinc/30/71/48/1314307148.db2.gz YOVYORGRPMTYMW-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001019397042 1314312691 /nfs/dbraw/zinc/31/26/91/1314312691.db2.gz GJBPFUSWDXHLJD-OALUTQOASA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)CC2)C1 ZINC001052701458 1314310119 /nfs/dbraw/zinc/31/01/19/1314310119.db2.gz FHRBYAMZYMSHCN-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)CC2)C1 ZINC001052701458 1314310122 /nfs/dbraw/zinc/31/01/22/1314310122.db2.gz FHRBYAMZYMSHCN-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC001019394928 1314310759 /nfs/dbraw/zinc/31/07/59/1314310759.db2.gz QZFXICTTYYLAQQ-JQHSSLGASA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC001019394929 1314310912 /nfs/dbraw/zinc/31/09/12/1314310912.db2.gz QZFXICTTYYLAQQ-SZMVWBNQSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001019394905 1314310938 /nfs/dbraw/zinc/31/09/38/1314310938.db2.gz QDIGSVKPEJICGD-WDSOQIARSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001019396321 1314311917 /nfs/dbraw/zinc/31/19/17/1314311917.db2.gz VNIUXOVNDQFPPJ-JQFCIGGWSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706389 1314314058 /nfs/dbraw/zinc/31/40/58/1314314058.db2.gz RYQOOGKEZFGRMU-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706389 1314314063 /nfs/dbraw/zinc/31/40/63/1314314063.db2.gz RYQOOGKEZFGRMU-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711886 1314317172 /nfs/dbraw/zinc/31/71/72/1314317172.db2.gz APSVWTNIBHFMLJ-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711886 1314317176 /nfs/dbraw/zinc/31/71/76/1314317176.db2.gz APSVWTNIBHFMLJ-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001052713466 1314320218 /nfs/dbraw/zinc/32/02/18/1314320218.db2.gz XYSSIFLTWSYZIE-MAUKXSAKSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001052713466 1314320221 /nfs/dbraw/zinc/32/02/21/1314320221.db2.gz XYSSIFLTWSYZIE-MAUKXSAKSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052716530 1314322006 /nfs/dbraw/zinc/32/20/06/1314322006.db2.gz OGNDDLNQSZQHQQ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052716530 1314322009 /nfs/dbraw/zinc/32/20/09/1314322009.db2.gz OGNDDLNQSZQHQQ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964336 1309786054 /nfs/dbraw/zinc/78/60/54/1309786054.db2.gz PQGHSKVGGDNMAC-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964336 1309786056 /nfs/dbraw/zinc/78/60/56/1309786056.db2.gz PQGHSKVGGDNMAC-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964333 1309786790 /nfs/dbraw/zinc/78/67/90/1309786790.db2.gz PQGHSKVGGDNMAC-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964333 1309786796 /nfs/dbraw/zinc/78/67/96/1309786796.db2.gz PQGHSKVGGDNMAC-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001046977321 1309823661 /nfs/dbraw/zinc/82/36/61/1309823661.db2.gz GKWAGBOFKBVBMP-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001046977321 1309823668 /nfs/dbraw/zinc/82/36/68/1309823668.db2.gz GKWAGBOFKBVBMP-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046986656 1309852560 /nfs/dbraw/zinc/85/25/60/1309852560.db2.gz DYSXTTLSALAFIQ-INIZCTEOSA-N 1 3 345.478 2.589 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001046987202 1309854295 /nfs/dbraw/zinc/85/42/95/1309854295.db2.gz RTZOLIDNBPNBGJ-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001046987202 1309854302 /nfs/dbraw/zinc/85/43/02/1309854302.db2.gz RTZOLIDNBPNBGJ-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001210494492 1314342673 /nfs/dbraw/zinc/34/26/73/1314342673.db2.gz VMLNWJFHIDWITM-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001210494492 1314342677 /nfs/dbraw/zinc/34/26/77/1314342677.db2.gz VMLNWJFHIDWITM-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019468516 1314354996 /nfs/dbraw/zinc/35/49/96/1314354996.db2.gz YQHDPEVLWAVERV-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019468516 1314354998 /nfs/dbraw/zinc/35/49/98/1314354998.db2.gz YQHDPEVLWAVERV-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019468301 1314355015 /nfs/dbraw/zinc/35/50/15/1314355015.db2.gz OWXQDQICSMEKBU-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764101 1314357662 /nfs/dbraw/zinc/35/76/62/1314357662.db2.gz MNTCPLDOORNHQQ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764101 1314357666 /nfs/dbraw/zinc/35/76/66/1314357666.db2.gz MNTCPLDOORNHQQ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1cnccc1/C=C/N(C)C ZINC001244289580 1314368905 /nfs/dbraw/zinc/36/89/05/1314368905.db2.gz YULDXVJVWKJFGO-YRNVUSSQSA-N 1 3 338.455 2.699 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCC1)C2 ZINC001047190467 1310279208 /nfs/dbraw/zinc/27/92/08/1310279208.db2.gz PXTNLFZAPPBEJP-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC001047190467 1310279215 /nfs/dbraw/zinc/27/92/15/1310279215.db2.gz PXTNLFZAPPBEJP-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001047225208 1310352045 /nfs/dbraw/zinc/35/20/45/1310352045.db2.gz ANEPKYMSZUKREE-UXHICEINSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001019558645 1314383469 /nfs/dbraw/zinc/38/34/69/1314383469.db2.gz DZNZNWHFGBQYFS-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047243715 1310398731 /nfs/dbraw/zinc/39/87/31/1310398731.db2.gz MHNOPUSJZKSECJ-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001047245551 1310403113 /nfs/dbraw/zinc/40/31/13/1310403113.db2.gz YTUBKXUVKWXPJF-MOPGFXCFSA-N 1 3 337.552 2.932 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047245594 1310404528 /nfs/dbraw/zinc/40/45/28/1310404528.db2.gz ZYKCVOCLZMOCCT-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019560759 1314384093 /nfs/dbraw/zinc/38/40/93/1314384093.db2.gz WVACKDIRUWUDMD-OALUTQOASA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001019560663 1314384363 /nfs/dbraw/zinc/38/43/63/1314384363.db2.gz RJWAQIMPWDUWNM-HKUYNNGSSA-N 1 3 329.488 2.670 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001019560578 1314384567 /nfs/dbraw/zinc/38/45/67/1314384567.db2.gz NQTWETILLGKRQA-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047260197 1310440894 /nfs/dbraw/zinc/44/08/94/1310440894.db2.gz YBAOAUROPFCZGE-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001210782119 1314386293 /nfs/dbraw/zinc/38/62/93/1314386293.db2.gz IWWLAASNBVOJGF-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1 ZINC001047266060 1310461095 /nfs/dbraw/zinc/46/10/95/1310461095.db2.gz PKWKFNDKOLXIQA-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210782126 1314387281 /nfs/dbraw/zinc/38/72/81/1314387281.db2.gz IZJHBDDJAAWQEW-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210783866 1314387918 /nfs/dbraw/zinc/38/79/18/1314387918.db2.gz WFQFFKYJIDRFAB-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210810854 1314392272 /nfs/dbraw/zinc/39/22/72/1314392272.db2.gz FLUFZVFSWCSERP-ZWKOTPCHSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001210811174 1314392311 /nfs/dbraw/zinc/39/23/11/1314392311.db2.gz KQKFOBWQTHFUOX-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210812246 1314392503 /nfs/dbraw/zinc/39/25/03/1314392503.db2.gz VQSHHKFHLXXXNC-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001210812358 1314392676 /nfs/dbraw/zinc/39/26/76/1314392676.db2.gz YQIVTLXOEJRACY-FQEVSTJZSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001210811452 1314392780 /nfs/dbraw/zinc/39/27/80/1314392780.db2.gz OEQJGJVXXUDFJE-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001210812276 1314393003 /nfs/dbraw/zinc/39/30/03/1314393003.db2.gz WARMKTAODAXJLZ-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001052837543 1314408702 /nfs/dbraw/zinc/40/87/02/1314408702.db2.gz QVILORABHAIMFY-ASRSSLEJSA-N 1 3 341.927 2.830 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001221664457 1311009392 /nfs/dbraw/zinc/00/93/92/1311009392.db2.gz VOKZDKBTWNQJPY-HPFJUIBNSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001221664457 1311009396 /nfs/dbraw/zinc/00/93/96/1311009396.db2.gz VOKZDKBTWNQJPY-HPFJUIBNSA-N 1 3 347.547 2.996 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710962 1311017380 /nfs/dbraw/zinc/01/73/80/1311017380.db2.gz RDORZVIEYSSEQC-FULQXFFOSA-N 1 3 345.531 2.750 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710963 1311017506 /nfs/dbraw/zinc/01/75/06/1311017506.db2.gz RDORZVIEYSSEQC-HJNCVVPOSA-N 1 3 345.531 2.750 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+]1CCCC1 ZINC001221730471 1311020453 /nfs/dbraw/zinc/02/04/53/1311020453.db2.gz JDCQVPWHECMLNU-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21)N1CCCC1 ZINC001221730471 1311020456 /nfs/dbraw/zinc/02/04/56/1311020456.db2.gz JDCQVPWHECMLNU-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21)N1CCCC1 ZINC001221730471 1311020458 /nfs/dbraw/zinc/02/04/58/1311020458.db2.gz JDCQVPWHECMLNU-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772356 1311029243 /nfs/dbraw/zinc/02/92/43/1311029243.db2.gz WEXSENWETKPFJN-BHIYHBOVSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776829 1311029922 /nfs/dbraw/zinc/02/99/22/1311029922.db2.gz FTNLOEDCWRQCPV-QXAKKESOSA-N 1 3 329.488 2.622 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001221812115 1311036751 /nfs/dbraw/zinc/03/67/51/1311036751.db2.gz ZHMSKGQVMKUYDF-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001221812115 1311036754 /nfs/dbraw/zinc/03/67/54/1311036754.db2.gz ZHMSKGQVMKUYDF-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221921625 1311054831 /nfs/dbraw/zinc/05/48/31/1311054831.db2.gz CDAOSCUVELVLSP-QXAKKESOSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221921625 1311054833 /nfs/dbraw/zinc/05/48/33/1311054833.db2.gz CDAOSCUVELVLSP-QXAKKESOSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)CC[N@@H+](C)CC)[C@@H]3C2)cc1 ZINC001221922007 1311055238 /nfs/dbraw/zinc/05/52/38/1311055238.db2.gz VHYHQCPXTPGNNG-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)CC[N@H+](C)CC)[C@@H]3C2)cc1 ZINC001221922007 1311055241 /nfs/dbraw/zinc/05/52/41/1311055241.db2.gz VHYHQCPXTPGNNG-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221968490 1311061241 /nfs/dbraw/zinc/06/12/41/1311061241.db2.gz QCZPCGCQPNEMSZ-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221968490 1311061244 /nfs/dbraw/zinc/06/12/44/1311061244.db2.gz QCZPCGCQPNEMSZ-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1)N1CCCC1 ZINC001099165021 1311072510 /nfs/dbraw/zinc/07/25/10/1311072510.db2.gz JDTPOVYTDNDHNX-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1)N1CCCC1 ZINC001099165021 1311072511 /nfs/dbraw/zinc/07/25/11/1311072511.db2.gz JDTPOVYTDNDHNX-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO Clc1cccc(-c2cc(CN3CCNC4(CC[NH2+]CC4)C3)on2)c1 ZINC001222104293 1311085777 /nfs/dbraw/zinc/08/57/77/1311085777.db2.gz DCHYCTAOHDWGGA-UHFFFAOYSA-N 1 3 346.862 2.522 20 0 EFADHO CCOC(=O)[C@@]12CN(CCCc3cccc(F)c3)C[C@@H]1C[NH2+]CCC2 ZINC001222125455 1311088580 /nfs/dbraw/zinc/08/85/80/1311088580.db2.gz MLZYRWYPGRNHAY-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](CCCc3cccc(F)c3)C[C@@H]1CNCCC2 ZINC001222125455 1311088582 /nfs/dbraw/zinc/08/85/82/1311088582.db2.gz MLZYRWYPGRNHAY-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](CCCc3cccc(F)c3)C[C@@H]1CNCCC2 ZINC001222125455 1311088584 /nfs/dbraw/zinc/08/85/84/1311088584.db2.gz MLZYRWYPGRNHAY-PXNSSMCTSA-N 1 3 348.462 2.623 20 0 EFADHO C(c1nc2c(s1)CNCC2)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222173238 1311094908 /nfs/dbraw/zinc/09/49/08/1311094908.db2.gz RSQGNSAQSJDEFF-GOSISDBHSA-N 1 3 334.533 2.535 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527314 1311100364 /nfs/dbraw/zinc/10/03/64/1311100364.db2.gz DKACPACRLQIZBL-AITUJVMLSA-N 1 3 344.503 2.701 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527314 1311100367 /nfs/dbraw/zinc/10/03/67/1311100367.db2.gz DKACPACRLQIZBL-AITUJVMLSA-N 1 3 344.503 2.701 20 0 EFADHO CCn1ccc2c1cccc2CN1CC2(C1)CC[N@H+](CCN(C)C)C2 ZINC001276828655 1311105891 /nfs/dbraw/zinc/10/58/91/1311105891.db2.gz WMBZYGYTVYHSRD-UHFFFAOYSA-N 1 3 340.515 2.731 20 0 EFADHO CCn1ccc2c1cccc2CN1CC2(C1)CC[N@@H+](CCN(C)C)C2 ZINC001276828655 1311105893 /nfs/dbraw/zinc/10/58/93/1311105893.db2.gz WMBZYGYTVYHSRD-UHFFFAOYSA-N 1 3 340.515 2.731 20 0 EFADHO Cc1cccc(CN2CCOCC3(CC[NH2+]CC3)C2)c1OC(C)C ZINC001222407795 1311126438 /nfs/dbraw/zinc/12/64/38/1311126438.db2.gz NUCBHYDDZWBLJR-UHFFFAOYSA-N 1 3 332.488 2.984 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276830386 1311136885 /nfs/dbraw/zinc/13/68/85/1311136885.db2.gz LFSIHVWZPDFJKR-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276830386 1311136888 /nfs/dbraw/zinc/13/68/88/1311136888.db2.gz LFSIHVWZPDFJKR-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO COC(C)(C)CCC[C@H](C)CCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492365 1311140847 /nfs/dbraw/zinc/14/08/47/1311140847.db2.gz UQLWFPYYWGZIBK-BZSNNMDCSA-N 1 3 325.541 2.634 20 0 EFADHO CCOC(=O)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC001222629245 1311163546 /nfs/dbraw/zinc/16/35/46/1311163546.db2.gz FWOHMRMJWZNMEC-GASCZTMLSA-N 1 3 336.863 2.948 20 0 EFADHO [S-]c1ccoc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276847903 1311196763 /nfs/dbraw/zinc/19/67/63/1311196763.db2.gz JWWUIZWKXNTIHI-GASCZTMLSA-N 1 3 332.473 2.635 20 0 EFADHO [S-]c1ccoc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276847903 1311196765 /nfs/dbraw/zinc/19/67/65/1311196765.db2.gz JWWUIZWKXNTIHI-GASCZTMLSA-N 1 3 332.473 2.635 20 0 EFADHO [S-]c1ccoc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276847903 1311196769 /nfs/dbraw/zinc/19/67/69/1311196769.db2.gz JWWUIZWKXNTIHI-GASCZTMLSA-N 1 3 332.473 2.635 20 0 EFADHO [S-]c1ccoc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276847903 1311196771 /nfs/dbraw/zinc/19/67/71/1311196771.db2.gz JWWUIZWKXNTIHI-GASCZTMLSA-N 1 3 332.473 2.635 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929397 1311199641 /nfs/dbraw/zinc/19/96/41/1311199641.db2.gz GIFDGVQTLWLHIM-WYBNUAJGSA-N 1 3 335.536 2.852 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929397 1311199644 /nfs/dbraw/zinc/19/96/44/1311199644.db2.gz GIFDGVQTLWLHIM-WYBNUAJGSA-N 1 3 335.536 2.852 20 0 EFADHO Cc1cc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)cnc1C ZINC001276870925 1311228585 /nfs/dbraw/zinc/22/85/85/1311228585.db2.gz UOKPOMSODPUKLL-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)cnc1C ZINC001276870925 1311228588 /nfs/dbraw/zinc/22/85/88/1311228588.db2.gz UOKPOMSODPUKLL-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CC2CCC2)CC1)N1CCCCC1 ZINC001223203090 1311230005 /nfs/dbraw/zinc/23/00/05/1311230005.db2.gz RAMHJFIVADKASB-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC001276875718 1311230786 /nfs/dbraw/zinc/23/07/86/1311230786.db2.gz GNVRRSOOSSXONT-LJQANCHMSA-N 1 3 325.460 2.575 20 0 EFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC001276875718 1311230787 /nfs/dbraw/zinc/23/07/87/1311230787.db2.gz GNVRRSOOSSXONT-LJQANCHMSA-N 1 3 325.460 2.575 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223246091 1311232502 /nfs/dbraw/zinc/23/25/02/1311232502.db2.gz LSHKDHLCMVHYCC-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001223246091 1311232504 /nfs/dbraw/zinc/23/25/04/1311232504.db2.gz LSHKDHLCMVHYCC-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364215 1311236905 /nfs/dbraw/zinc/23/69/05/1311236905.db2.gz OASZJFSDLDUTMR-ZMONRNFJSA-N 1 3 333.520 2.607 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364215 1311236907 /nfs/dbraw/zinc/23/69/07/1311236907.db2.gz OASZJFSDLDUTMR-ZMONRNFJSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865889 1311238888 /nfs/dbraw/zinc/23/88/88/1311238888.db2.gz VUMDNZZTXFJCFX-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866699 1311239188 /nfs/dbraw/zinc/23/91/88/1311239188.db2.gz DDACBGHHXJHVBQ-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001047866916 1311239331 /nfs/dbraw/zinc/23/93/31/1311239331.db2.gz FQTVVRZUHVEJGZ-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001047866759 1311239418 /nfs/dbraw/zinc/23/94/18/1311239418.db2.gz DXMKWCHBBPNTNT-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001047866761 1311239483 /nfs/dbraw/zinc/23/94/83/1311239483.db2.gz DXMKWCHBBPNTNT-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001047869421 1311241422 /nfs/dbraw/zinc/24/14/22/1311241422.db2.gz QQPAJGIMIBIFHC-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869607 1311241838 /nfs/dbraw/zinc/24/18/38/1311241838.db2.gz RCYIIKGJRVZOIB-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871749 1311244258 /nfs/dbraw/zinc/24/42/58/1311244258.db2.gz ZFYYKLVYTJBKDH-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871891 1311244345 /nfs/dbraw/zinc/24/43/45/1311244345.db2.gz ZXKUBYULUIXTJM-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C\c3ccccc3)[C@H]2C1 ZINC001223430546 1311259864 /nfs/dbraw/zinc/25/98/64/1311259864.db2.gz MPAQTPOFCVNIBD-WTGAGXSVSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC001223457192 1311263131 /nfs/dbraw/zinc/26/31/31/1311263131.db2.gz HNCJYWOSWZKHFU-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC001223464648 1311263880 /nfs/dbraw/zinc/26/38/80/1311263880.db2.gz AHKDDTHHYPVQCV-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC001223471548 1311264138 /nfs/dbraw/zinc/26/41/38/1311264138.db2.gz ALHFZHVSEYYBFA-CEXWTWQISA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC001223471860 1311265164 /nfs/dbraw/zinc/26/51/64/1311265164.db2.gz GNQKOQOXDKSXIM-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001223487986 1311267259 /nfs/dbraw/zinc/26/72/59/1311267259.db2.gz XHCVDOGLEWYMSD-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070789 1311277149 /nfs/dbraw/zinc/27/71/49/1311277149.db2.gz SZIILGWPIQDFEC-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO Cc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102070789 1311277153 /nfs/dbraw/zinc/27/71/53/1311277153.db2.gz SZIILGWPIQDFEC-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001223597117 1311279995 /nfs/dbraw/zinc/27/99/95/1311279995.db2.gz JEXGYKIMQPWXNA-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCCC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372980 1311305477 /nfs/dbraw/zinc/30/54/77/1311305477.db2.gz SJEJBBYDCFXHQR-GPMSIDNRSA-N 1 3 341.515 2.683 20 0 EFADHO CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372980 1311305480 /nfs/dbraw/zinc/30/54/80/1311305480.db2.gz SJEJBBYDCFXHQR-GPMSIDNRSA-N 1 3 341.515 2.683 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102525104 1311315720 /nfs/dbraw/zinc/31/57/20/1311315720.db2.gz LAMCOYQPMJRMQH-VQIMIIECSA-N 1 3 349.494 2.682 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CF)cc2)C[C@H]1C ZINC001102525104 1311315722 /nfs/dbraw/zinc/31/57/22/1311315722.db2.gz LAMCOYQPMJRMQH-VQIMIIECSA-N 1 3 349.494 2.682 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001102525047 1311316025 /nfs/dbraw/zinc/31/60/25/1311316025.db2.gz JHESQTXDTHUEBA-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C ZINC001102525047 1311316027 /nfs/dbraw/zinc/31/60/27/1311316027.db2.gz JHESQTXDTHUEBA-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223955543 1311325200 /nfs/dbraw/zinc/32/52/00/1311325200.db2.gz NNAQWNJFLOHQKS-MSOLQXFVSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975687 1311343552 /nfs/dbraw/zinc/34/35/52/1311343552.db2.gz MUGUYSBEGVZKPT-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047981232 1311348255 /nfs/dbraw/zinc/34/82/55/1311348255.db2.gz BIEQELDTUJEYLU-IRXDYDNUSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001047986530 1311352617 /nfs/dbraw/zinc/35/26/17/1311352617.db2.gz DMLAITNPQDFFOK-FUHWJXTLSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047987546 1311353053 /nfs/dbraw/zinc/35/30/53/1311353053.db2.gz HZYHBTBGSSTYJU-DZGCQCFKSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001047988798 1311354934 /nfs/dbraw/zinc/35/49/34/1311354934.db2.gz ODIUTGJQQBIVEA-SJLPKXTDSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048008901 1311367280 /nfs/dbraw/zinc/36/72/80/1311367280.db2.gz RGXCEHFTEPWLNC-HKUYNNGSSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048009487 1311367582 /nfs/dbraw/zinc/36/75/82/1311367582.db2.gz VBTUUXAQZIPBTM-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048010107 1311368394 /nfs/dbraw/zinc/36/83/94/1311368394.db2.gz YULUPPPUXTYRTM-AEFFLSMTSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001224496097 1311398804 /nfs/dbraw/zinc/39/88/04/1311398804.db2.gz NNWMMFSJIVZGMF-IAGOWNOFSA-N 1 3 329.504 2.683 20 0 EFADHO C[NH+](C)CCC(=O)NCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC001224338694 1311378264 /nfs/dbraw/zinc/37/82/64/1311378264.db2.gz YLWYVRVMSAKGAR-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001224402457 1311385450 /nfs/dbraw/zinc/38/54/50/1311385450.db2.gz IIXYTZQCSYVNLV-GOSISDBHSA-N 1 3 337.552 2.837 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001224402716 1311385672 /nfs/dbraw/zinc/38/56/72/1311385672.db2.gz NPXBITDJITWWED-HXUWFJFHSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)CCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402477 1311385835 /nfs/dbraw/zinc/38/58/35/1311385835.db2.gz JCMLGBYZJGDKSN-GOSISDBHSA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCCF ZINC001158786816 1311387841 /nfs/dbraw/zinc/38/78/41/1311387841.db2.gz HMCHTVQXUVOCQU-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001158786816 1311387843 /nfs/dbraw/zinc/38/78/43/1311387843.db2.gz HMCHTVQXUVOCQU-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577240 1311410470 /nfs/dbraw/zinc/41/04/70/1311410470.db2.gz WMQWBGMXMJDKTB-MRXNPFEDSA-N 1 3 325.541 2.839 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224577237 1311410505 /nfs/dbraw/zinc/41/05/05/1311410505.db2.gz WMQWBGMXMJDKTB-INIZCTEOSA-N 1 3 325.541 2.839 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001224583596 1311410875 /nfs/dbraw/zinc/41/08/75/1311410875.db2.gz VFOCWAMAXIYMMJ-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001224583620 1311410889 /nfs/dbraw/zinc/41/08/89/1311410889.db2.gz WFPWISOWWMJTBT-IBGZPJMESA-N 1 3 349.494 2.537 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059144 1311418876 /nfs/dbraw/zinc/41/88/76/1311418876.db2.gz PDUWIOXHQGMCFR-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063719 1311422579 /nfs/dbraw/zinc/42/25/79/1311422579.db2.gz FRABVZBVDSZRBT-APWZRJJASA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067108 1311425700 /nfs/dbraw/zinc/42/57/00/1311425700.db2.gz RNCPVPRGDBNRRF-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001048067917 1311426997 /nfs/dbraw/zinc/42/69/97/1311426997.db2.gz UJKMTDGUHYQILG-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048069086 1311428375 /nfs/dbraw/zinc/42/83/75/1311428375.db2.gz ZXTWCUXGWPCFSM-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224738750 1311429104 /nfs/dbraw/zinc/42/91/04/1311429104.db2.gz CYQZEOBIFLYXAE-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740022 1311429612 /nfs/dbraw/zinc/42/96/12/1311429612.db2.gz VWFBFIGALPWCGG-AEFFLSMTSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](C(=O)NCC1CC[NH+](CCC2CC2)CC1)N1CCCCCC1 ZINC001224739754 1311429803 /nfs/dbraw/zinc/42/98/03/1311429803.db2.gz PVABHFAXHMZSDS-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)Cc1ccnc(N2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001159018781 1311434620 /nfs/dbraw/zinc/43/46/20/1311434620.db2.gz WRFVVALZAGIJIC-UHFFFAOYSA-N 1 3 336.483 2.785 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884448 1311446510 /nfs/dbraw/zinc/44/65/10/1311446510.db2.gz VCJWQCCXNUWUHE-QZTJIDSGSA-N 1 3 343.531 2.929 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001224904059 1311448880 /nfs/dbraw/zinc/44/88/80/1311448880.db2.gz GOYYETRAKQLNNA-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001224910761 1311449692 /nfs/dbraw/zinc/44/96/92/1311449692.db2.gz GFKYSIAYMKJXJR-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001224911363 1311449718 /nfs/dbraw/zinc/44/97/18/1311449718.db2.gz MYCNJBTYYYTVSU-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCNc1ccccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000902137926 1311463515 /nfs/dbraw/zinc/46/35/15/1311463515.db2.gz GFXJUUKKAMFFGE-UHFFFAOYSA-N 1 3 330.520 2.767 20 0 EFADHO CC(C)(C)OC(=O)c1c2c(sc1NC1=CNCCC1)C[NH2+]CC2 ZINC001159272899 1311483695 /nfs/dbraw/zinc/48/36/95/1311483695.db2.gz RUEALOFIPUSNSQ-UHFFFAOYSA-N 1 3 335.473 2.986 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001225206488 1311489999 /nfs/dbraw/zinc/48/99/99/1311489999.db2.gz FDKRMMGIQUTKGE-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001225243982 1311494200 /nfs/dbraw/zinc/49/42/00/1311494200.db2.gz BUGRNKBFVXLUCL-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001225252061 1311495429 /nfs/dbraw/zinc/49/54/29/1311495429.db2.gz KTIZNDYMWZPAGW-KRWDZBQOSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014401978 1311498364 /nfs/dbraw/zinc/49/83/64/1311498364.db2.gz VHVQEBUCGFEOKY-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014401978 1311498367 /nfs/dbraw/zinc/49/83/67/1311498367.db2.gz VHVQEBUCGFEOKY-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001225284091 1311500691 /nfs/dbraw/zinc/50/06/91/1311500691.db2.gz DCZZIEZKEHTAFO-UHFFFAOYSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014411655 1311502632 /nfs/dbraw/zinc/50/26/32/1311502632.db2.gz YTLUHYNHFBXAMN-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014411655 1311502636 /nfs/dbraw/zinc/50/26/36/1311502636.db2.gz YTLUHYNHFBXAMN-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001014412061 1311503253 /nfs/dbraw/zinc/50/32/53/1311503253.db2.gz FKPCLJGHWZAEMD-PMACEKPBSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001014412061 1311503255 /nfs/dbraw/zinc/50/32/55/1311503255.db2.gz FKPCLJGHWZAEMD-PMACEKPBSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001014412064 1311503466 /nfs/dbraw/zinc/50/34/66/1311503466.db2.gz FKPCLJGHWZAEMD-WOJBJXKFSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001014412064 1311503471 /nfs/dbraw/zinc/50/34/71/1311503471.db2.gz FKPCLJGHWZAEMD-WOJBJXKFSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014414849 1311505014 /nfs/dbraw/zinc/50/50/14/1311505014.db2.gz RTFUSXKEKXLLPW-AZUAARDMSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001014414849 1311505017 /nfs/dbraw/zinc/50/50/17/1311505017.db2.gz RTFUSXKEKXLLPW-AZUAARDMSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014441541 1311518052 /nfs/dbraw/zinc/51/80/52/1311518052.db2.gz ZBUSMNZQJDPUTH-MSOLQXFVSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014441541 1311518054 /nfs/dbraw/zinc/51/80/54/1311518054.db2.gz ZBUSMNZQJDPUTH-MSOLQXFVSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225547305 1311540958 /nfs/dbraw/zinc/54/09/58/1311540958.db2.gz VGDFFVZPPPWGEZ-RHSMWYFYSA-N 1 3 340.427 2.794 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225557851 1311542624 /nfs/dbraw/zinc/54/26/24/1311542624.db2.gz TXMYFFQIUHOXEB-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO CCc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001225582705 1311547997 /nfs/dbraw/zinc/54/79/97/1311547997.db2.gz QTJLFUBBXOOGRK-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014507963 1311549640 /nfs/dbraw/zinc/54/96/40/1311549640.db2.gz MHPKDYMSCRLTEN-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014507963 1311549643 /nfs/dbraw/zinc/54/96/43/1311549643.db2.gz MHPKDYMSCRLTEN-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CN1CCN(Cc2cccc(Nc3ccc4c(c3)CC[NH2+]C4)c2)CC1 ZINC001159601323 1311549733 /nfs/dbraw/zinc/54/97/33/1311549733.db2.gz VNGLOYQGSRUFNW-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)ccc3C)C2)CC[N@@H+]1C ZINC001014507758 1311549769 /nfs/dbraw/zinc/54/97/69/1311549769.db2.gz LACANWPQRHGRHS-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)ccc3C)C2)CC[N@H+]1C ZINC001014507758 1311549772 /nfs/dbraw/zinc/54/97/72/1311549772.db2.gz LACANWPQRHGRHS-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)c(C)c3)C2)CC[N@@H+]1C ZINC001014509177 1311550311 /nfs/dbraw/zinc/55/03/11/1311550311.db2.gz QCYDMFLVJNOQRT-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)c(C)c3)C2)CC[N@H+]1C ZINC001014509177 1311550315 /nfs/dbraw/zinc/55/03/15/1311550315.db2.gz QCYDMFLVJNOQRT-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627898 1311555063 /nfs/dbraw/zinc/55/50/63/1311555063.db2.gz BNLAQGNFFMRXPB-SFFCAUCYSA-N 1 3 333.520 2.965 20 0 EFADHO CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159627898 1311555067 /nfs/dbraw/zinc/55/50/67/1311555067.db2.gz BNLAQGNFFMRXPB-SFFCAUCYSA-N 1 3 333.520 2.965 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001159628175 1311555160 /nfs/dbraw/zinc/55/51/60/1311555160.db2.gz DRJLTIYPPCSIAJ-GOSISDBHSA-N 1 3 347.528 2.523 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001159628175 1311555164 /nfs/dbraw/zinc/55/51/64/1311555164.db2.gz DRJLTIYPPCSIAJ-GOSISDBHSA-N 1 3 347.528 2.523 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628427 1311555370 /nfs/dbraw/zinc/55/53/70/1311555370.db2.gz ITWQXGOWXAAZDO-PKOBYXMFSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628427 1311555372 /nfs/dbraw/zinc/55/53/72/1311555372.db2.gz ITWQXGOWXAAZDO-PKOBYXMFSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cc(N2CCC[C@@]3(CCCN(Cc4cn[nH]c4)C3)C2)cc[nH+]1 ZINC001277065371 1311566481 /nfs/dbraw/zinc/56/64/81/1311566481.db2.gz WCLWFEQSGXJMNJ-LJQANCHMSA-N 1 3 325.460 2.996 20 0 EFADHO Cc1cc(CN2CC[C@@]3(C2)CCCN(c2cc[nH+]c(C)c2)C3)n(C)n1 ZINC001277065125 1311566657 /nfs/dbraw/zinc/56/66/57/1311566657.db2.gz VBEYKQQWKLUJGZ-HXUWFJFHSA-N 1 3 339.487 2.924 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001159854977 1311597585 /nfs/dbraw/zinc/59/75/85/1311597585.db2.gz YLDXWDYDRSFMGF-QGZVFWFLSA-N 1 3 349.906 2.908 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159862117 1311599248 /nfs/dbraw/zinc/59/92/48/1311599248.db2.gz VMNXHLUFJVGNLT-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC001159915715 1311607823 /nfs/dbraw/zinc/60/78/23/1311607823.db2.gz MKROSZGNFAEYTN-MSOLQXFVSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl)C1CC1 ZINC001159915716 1311608064 /nfs/dbraw/zinc/60/80/64/1311608064.db2.gz MKROSZGNFAEYTN-QZTJIDSGSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC001159923845 1311610119 /nfs/dbraw/zinc/61/01/19/1311610119.db2.gz JIDOJSUVZURUSE-YWPBOTNQSA-N 1 3 349.906 2.789 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001159926046 1311611050 /nfs/dbraw/zinc/61/10/50/1311611050.db2.gz YXAUWJVLPUREHL-IBGZPJMESA-N 1 3 331.504 2.575 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC001159932166 1311611839 /nfs/dbraw/zinc/61/18/39/1311611839.db2.gz NVEPAPKICQNHFL-IBGZPJMESA-N 1 3 329.488 2.500 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC001159931576 1311612006 /nfs/dbraw/zinc/61/20/06/1311612006.db2.gz FNHYLSCCFVTENK-PXNSSMCTSA-N 1 3 343.515 2.543 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001096313929 1311614069 /nfs/dbraw/zinc/61/40/69/1311614069.db2.gz RTWWWEZQTBZVJI-VSZNYVQBSA-N 1 3 339.499 2.722 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001096313929 1311614070 /nfs/dbraw/zinc/61/40/70/1311614070.db2.gz RTWWWEZQTBZVJI-VSZNYVQBSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001159992167 1311624552 /nfs/dbraw/zinc/62/45/52/1311624552.db2.gz INTPOAJBDKEQBI-UHFFFAOYSA-N 1 3 331.504 2.692 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001159997119 1311626402 /nfs/dbraw/zinc/62/64/02/1311626402.db2.gz HDDXMRVOTIMAKT-IBGZPJMESA-N 1 3 347.478 2.783 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997378 1311626414 /nfs/dbraw/zinc/62/64/14/1311626414.db2.gz OFKFBXIPJONBOD-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F)C1CCC1 ZINC001159997190 1311626676 /nfs/dbraw/zinc/62/66/76/1311626676.db2.gz JKZYMHGMMSBYTM-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001160003421 1311626973 /nfs/dbraw/zinc/62/69/73/1311626973.db2.gz NXPGAXAQVWPOLZ-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048278808 1311632143 /nfs/dbraw/zinc/63/21/43/1311632143.db2.gz CXDUIEYYMOTLMX-FUHWJXTLSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048278811 1311632525 /nfs/dbraw/zinc/63/25/25/1311632525.db2.gz CXDUIEYYMOTLMX-WMZOPIPTSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cs1 ZINC001048280882 1311633627 /nfs/dbraw/zinc/63/36/27/1311633627.db2.gz PTIGPFNKMDDUCX-WMLDXEAASA-N 1 3 349.544 2.725 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001048281067 1311633848 /nfs/dbraw/zinc/63/38/48/1311633848.db2.gz QQRIABINWIKPDE-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630990 1311634517 /nfs/dbraw/zinc/63/45/17/1311634517.db2.gz NTKVHKYQWVPCLL-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630990 1311634518 /nfs/dbraw/zinc/63/45/18/1311634518.db2.gz NTKVHKYQWVPCLL-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630983 1311634689 /nfs/dbraw/zinc/63/46/89/1311634689.db2.gz NTKVHKYQWVPCLL-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630983 1311634693 /nfs/dbraw/zinc/63/46/93/1311634693.db2.gz NTKVHKYQWVPCLL-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631874 1311635422 /nfs/dbraw/zinc/63/54/22/1311635422.db2.gz PBZDOFZUNZOAFO-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631874 1311635425 /nfs/dbraw/zinc/63/54/25/1311635425.db2.gz PBZDOFZUNZOAFO-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001014635905 1311637547 /nfs/dbraw/zinc/63/75/47/1311637547.db2.gz XRHYZTXFLZKBQS-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001014635905 1311637549 /nfs/dbraw/zinc/63/75/49/1311637549.db2.gz XRHYZTXFLZKBQS-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CN(Cc2cccc(CN[C@H]3CC[NH2+]CC(C)(C)C3)c2)CCO1 ZINC000902345892 1311657784 /nfs/dbraw/zinc/65/77/84/1311657784.db2.gz BOLCJDGGFOLCJL-PXNSSMCTSA-N 1 3 345.531 2.775 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000902347435 1311658831 /nfs/dbraw/zinc/65/88/31/1311658831.db2.gz UMJJUHFRCASUHE-MOPGFXCFSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705269 1311675967 /nfs/dbraw/zinc/67/59/67/1311675967.db2.gz NHBVRGUDQRHBDR-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705269 1311675971 /nfs/dbraw/zinc/67/59/71/1311675971.db2.gz NHBVRGUDQRHBDR-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001014718412 1311684508 /nfs/dbraw/zinc/68/45/08/1311684508.db2.gz XOUNNHUQYICCQL-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001014718412 1311684512 /nfs/dbraw/zinc/68/45/12/1311684512.db2.gz XOUNNHUQYICCQL-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724918 1311691083 /nfs/dbraw/zinc/69/10/83/1311691083.db2.gz YAGFJSFHXCWEQR-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724918 1311691085 /nfs/dbraw/zinc/69/10/85/1311691085.db2.gz YAGFJSFHXCWEQR-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000902383134 1311693665 /nfs/dbraw/zinc/69/36/65/1311693665.db2.gz CSWWAJDKKKCAEZ-RBUKOAKNSA-N 1 3 343.515 2.588 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)C1CC1 ZINC001160352241 1311695209 /nfs/dbraw/zinc/69/52/09/1311695209.db2.gz DZNWWCUYJQRCBW-FQEVSTJZSA-N 1 3 345.531 2.965 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)C1CC1 ZINC001160352241 1311695212 /nfs/dbraw/zinc/69/52/12/1311695212.db2.gz DZNWWCUYJQRCBW-FQEVSTJZSA-N 1 3 345.531 2.965 20 0 EFADHO CC/C=C\CC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359787 1311696389 /nfs/dbraw/zinc/69/63/89/1311696389.db2.gz AQUREBMVBRODQV-WAYWQWQTSA-N 1 3 333.520 2.965 20 0 EFADHO CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359787 1311696391 /nfs/dbraw/zinc/69/63/91/1311696391.db2.gz AQUREBMVBRODQV-WAYWQWQTSA-N 1 3 333.520 2.965 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](CCCCCF)CC2)CCC1 ZINC001160359964 1311697364 /nfs/dbraw/zinc/69/73/64/1311697364.db2.gz HUESTWVCDPJAMV-UHFFFAOYSA-N 1 3 339.499 2.749 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](CCCCCF)CC2)CCC1 ZINC001160359964 1311697366 /nfs/dbraw/zinc/69/73/66/1311697366.db2.gz HUESTWVCDPJAMV-UHFFFAOYSA-N 1 3 339.499 2.749 20 0 EFADHO CN(CC(=O)NCCC1=CC[N@H+](CCCCCF)CC1)C1CCC1 ZINC001160380286 1311700300 /nfs/dbraw/zinc/70/03/00/1311700300.db2.gz XLZDENHMCIQXEF-UHFFFAOYSA-N 1 3 339.499 2.749 20 0 EFADHO CN(CC(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)C1CCC1 ZINC001160380286 1311700303 /nfs/dbraw/zinc/70/03/03/1311700303.db2.gz XLZDENHMCIQXEF-UHFFFAOYSA-N 1 3 339.499 2.749 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001160405825 1311703778 /nfs/dbraw/zinc/70/37/78/1311703778.db2.gz AGQLGMDTEALVCJ-FQEVSTJZSA-N 1 3 343.515 2.911 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001160405825 1311703782 /nfs/dbraw/zinc/70/37/82/1311703782.db2.gz AGQLGMDTEALVCJ-FQEVSTJZSA-N 1 3 343.515 2.911 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001160420565 1311706073 /nfs/dbraw/zinc/70/60/73/1311706073.db2.gz HLKOMFKWYVPPAU-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001160420407 1311706379 /nfs/dbraw/zinc/70/63/79/1311706379.db2.gz DPHYLHIXFLFOAZ-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001160421852 1311706831 /nfs/dbraw/zinc/70/68/31/1311706831.db2.gz VIELCILUUAIXEZ-SFHVURJKSA-N 1 3 331.460 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001160427510 1311707472 /nfs/dbraw/zinc/70/74/72/1311707472.db2.gz SIVUYHPMUIOESG-MOPGFXCFSA-N 1 3 349.494 2.885 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902403979 1311714278 /nfs/dbraw/zinc/71/42/78/1311714278.db2.gz GUKKKEIJQFURFB-VQTJNVASSA-N 1 3 345.531 2.564 20 0 EFADHO C[C@@H]([NH2+]CC1(N)CC1)c1ccc(F)c(I)c1 ZINC000902406155 1311716985 /nfs/dbraw/zinc/71/69/85/1311716985.db2.gz MBVOKQSXMCDRRK-MRVPVSSYSA-N 1 3 334.176 2.572 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2)CCC1 ZINC001226783467 1311723188 /nfs/dbraw/zinc/72/31/88/1311723188.db2.gz ZOVPWAKOUVZLKS-QZTJIDSGSA-N 1 3 329.488 2.688 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)C1CC1 ZINC001226799949 1311725225 /nfs/dbraw/zinc/72/52/25/1311725225.db2.gz GWRRZPSMPPVVNC-KZNAEPCWSA-N 1 3 349.544 2.648 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)C1CC1 ZINC001226800910 1311725238 /nfs/dbraw/zinc/72/52/38/1311725238.db2.gz PWDYTYNQHDDXSC-GUDVDZBRSA-N 1 3 329.488 2.544 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001226799477 1311725335 /nfs/dbraw/zinc/72/53/35/1311725335.db2.gz AEVJIKPCYFTOMU-QRVBRYPASA-N 1 3 347.547 2.924 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001226800425 1311725358 /nfs/dbraw/zinc/72/53/58/1311725358.db2.gz KUUSZCVGCLSFGD-KURKYZTESA-N 1 3 335.536 2.780 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048389105 1311733928 /nfs/dbraw/zinc/73/39/28/1311733928.db2.gz ZCYUCVIZQGYIDW-SJLPKXTDSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048415275 1311753828 /nfs/dbraw/zinc/75/38/28/1311753828.db2.gz AUPFKIRCXHHAGC-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1)N(C)C ZINC001227038607 1311755097 /nfs/dbraw/zinc/75/50/97/1311755097.db2.gz IEOOGBBHTAKTDK-VAMGGRTRSA-N 1 3 345.531 2.976 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048419042 1311755673 /nfs/dbraw/zinc/75/56/73/1311755673.db2.gz XVLWALFJUOLQQJ-UYAOXDASSA-N 1 3 347.547 2.903 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001227057085 1311756163 /nfs/dbraw/zinc/75/61/63/1311756163.db2.gz MFYQQVNHLRKMBK-GUDVDZBRSA-N 1 3 346.519 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001227056768 1311756355 /nfs/dbraw/zinc/75/63/55/1311756355.db2.gz LAUJJTVDXYHQAT-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO CN(Cc1sc2ccccc2c1Cl)C(=O)[C@H](N)CCC[NH3+] ZINC001160674398 1311757014 /nfs/dbraw/zinc/75/70/14/1311757014.db2.gz MPSFMRHNOOVALZ-LLVKDONJSA-N 1 3 325.865 2.579 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)C[C@@H](N)c1cccc(Cl)c1Cl ZINC001160687471 1311759989 /nfs/dbraw/zinc/75/99/89/1311759989.db2.gz FGMHMPJPAOBQKO-CQSZACIVSA-N 1 3 344.286 2.938 20 0 EFADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001160695478 1311761939 /nfs/dbraw/zinc/76/19/39/1311761939.db2.gz MOFCFQJZLJQDRU-SWLSCSKDSA-N 1 3 343.393 2.553 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N(Cc1ccccn1)C1CCCCC1 ZINC001160715933 1311765919 /nfs/dbraw/zinc/76/59/19/1311765919.db2.gz MNKPNSRYNVRKTE-IBGZPJMESA-N 1 3 346.519 2.802 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC001227150167 1311768611 /nfs/dbraw/zinc/76/86/11/1311768611.db2.gz LJLQCQXVPOZFQM-RTBURBONSA-N 1 3 345.531 2.976 20 0 EFADHO CC[C@@H]1CO[C@@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160728861 1311769698 /nfs/dbraw/zinc/76/96/98/1311769698.db2.gz GFTDGSHEONRNNV-AOIWGVFYSA-N 1 3 341.540 2.835 20 0 EFADHO CC[C@@H]1CO[C@](C)(CCC(C)C)N1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160728864 1311769958 /nfs/dbraw/zinc/76/99/58/1311769958.db2.gz GFTDGSHEONRNNV-ZIFCJYIRSA-N 1 3 341.540 2.835 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001160882858 1311802260 /nfs/dbraw/zinc/80/22/60/1311802260.db2.gz AAWJEUIFTQRUMM-MRXNPFEDSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001160882991 1311802404 /nfs/dbraw/zinc/80/24/04/1311802404.db2.gz DQANMSBGUVYSFL-DLBZAZTESA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001160883646 1311803198 /nfs/dbraw/zinc/80/31/98/1311803198.db2.gz RIZQJBIKDIBYEA-XTKXOIQPSA-N 1 3 337.895 2.789 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048479636 1311810233 /nfs/dbraw/zinc/81/02/33/1311810233.db2.gz OOCUYVJFJJEECP-JXFKEZNVSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048479639 1311810401 /nfs/dbraw/zinc/81/04/01/1311810401.db2.gz OOCUYVJFJJEECP-UZLBHIALSA-N 1 3 343.515 2.846 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001014956576 1311821212 /nfs/dbraw/zinc/82/12/12/1311821212.db2.gz WAKNNXUUTQPUDK-SJLPKXTDSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001014956576 1311821216 /nfs/dbraw/zinc/82/12/16/1311821216.db2.gz WAKNNXUUTQPUDK-SJLPKXTDSA-N 1 3 341.455 2.608 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCSCC1 ZINC000902522806 1311832524 /nfs/dbraw/zinc/83/25/24/1311832524.db2.gz YKLWRIYNXGMXIV-IEBWSBKVSA-N 1 3 348.512 2.744 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@H](C)C[C@H]2COCCN2)c1 ZINC000902528907 1311839760 /nfs/dbraw/zinc/83/97/60/1311839760.db2.gz SSDVVPSUSNOLPP-AEFFLSMTSA-N 1 3 335.492 2.586 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000902529750 1311840302 /nfs/dbraw/zinc/84/03/02/1311840302.db2.gz YODQXLPJQBLRFH-UXHICEINSA-N 1 3 347.503 2.586 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)[C@@H](C1CC1)N1CCCC1 ZINC001227704421 1311842127 /nfs/dbraw/zinc/84/21/27/1311842127.db2.gz YQKFUFJUTQLDHE-BNQIEWIESA-N 1 3 339.911 2.630 20 0 EFADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@@H](N)CC3CCC3)CC2)CC1 ZINC001161048382 1311846323 /nfs/dbraw/zinc/84/63/23/1311846323.db2.gz WYBYCRGACRRVDG-IBGZPJMESA-N 1 3 335.536 2.865 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161064654 1311850510 /nfs/dbraw/zinc/85/05/10/1311850510.db2.gz QYCSUVJYZFYYCM-RRFJBIMHSA-N 1 3 343.393 2.824 20 0 EFADHO C[NH+](C)CCC(=O)NCCC1=CCN(C/C=C/c2ccccc2)CC1 ZINC001161088562 1311855690 /nfs/dbraw/zinc/85/56/90/1311855690.db2.gz CBWXCRPVSHNHMC-RMKNXTFCSA-N 1 3 341.499 2.790 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001227793068 1311857071 /nfs/dbraw/zinc/85/70/71/1311857071.db2.gz YVLOTGZWFZVYLQ-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCc2ccccc2)CC1)C1CC1 ZINC001227798460 1311857871 /nfs/dbraw/zinc/85/78/71/1311857871.db2.gz ZCCRLOUQRDRNCR-FQEVSTJZSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227798445 1311858097 /nfs/dbraw/zinc/85/80/97/1311858097.db2.gz YVWTXDANCSLVTI-KUHUBIRLSA-N 1 3 347.478 2.808 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227807830 1311859885 /nfs/dbraw/zinc/85/98/85/1311859885.db2.gz XULQVTKTJJGZJD-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CC1CCC(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001227816901 1311860544 /nfs/dbraw/zinc/86/05/44/1311860544.db2.gz HTCYKGPTEHBIHC-RJYAGPCLSA-N 1 3 335.536 2.734 20 0 EFADHO C[NH+](C)[C@@H](C(=O)NC1CCN(C/C=C\c2ccccc2)CC1)C1CC1 ZINC001227818080 1311860990 /nfs/dbraw/zinc/86/09/90/1311860990.db2.gz QJUXMLLUPZWNEK-QKWWCAPFSA-N 1 3 341.499 2.621 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c(C)c1 ZINC001227818324 1311861048 /nfs/dbraw/zinc/86/10/48/1311861048.db2.gz UZVWEYFEWASJGL-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001227825204 1311861926 /nfs/dbraw/zinc/86/19/26/1311861926.db2.gz HUIGSGQAZXGXKY-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c(C)s1 ZINC001227832071 1311863243 /nfs/dbraw/zinc/86/32/43/1311863243.db2.gz BNEMAYRMKKUJDA-UHFFFAOYSA-N 1 3 349.544 2.930 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC001227832531 1311863753 /nfs/dbraw/zinc/86/37/53/1311863753.db2.gz KKGOJSUGKNNECF-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cnc(NC2CCN(Cc3ccc(O)cc3)CC2)c(C[NH3+])c1 ZINC001161136230 1311867525 /nfs/dbraw/zinc/86/75/25/1311867525.db2.gz DZXVMBUKJZWPPQ-UHFFFAOYSA-N 1 3 326.444 2.631 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001048531617 1311869231 /nfs/dbraw/zinc/86/92/31/1311869231.db2.gz VFNRLWJQTIECAN-MHORFTMASA-N 1 3 339.499 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001048531617 1311869236 /nfs/dbraw/zinc/86/92/36/1311869236.db2.gz VFNRLWJQTIECAN-MHORFTMASA-N 1 3 339.499 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048531694 1311869744 /nfs/dbraw/zinc/86/97/44/1311869744.db2.gz ZUHNUICEUNNHQT-RDGPPVDQSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048531694 1311869748 /nfs/dbraw/zinc/86/97/48/1311869748.db2.gz ZUHNUICEUNNHQT-RDGPPVDQSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900334 1311871675 /nfs/dbraw/zinc/87/16/75/1311871675.db2.gz STJKYXFMZMTJDC-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161388675 1311876346 /nfs/dbraw/zinc/87/63/46/1311876346.db2.gz JPYMAFABLFQUOC-WOJBJXKFSA-N 1 3 345.531 2.963 20 0 EFADHO Cc1ccc(CN(C(=O)[C@@H]2C[C@@H](F)CCN2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395559 1311878187 /nfs/dbraw/zinc/87/81/87/1311878187.db2.gz FWLUXYVVUUCJKU-VJANTYMQSA-N 1 3 347.478 2.684 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001015051376 1311882614 /nfs/dbraw/zinc/88/26/14/1311882614.db2.gz AROGUSJLKQZETE-WMZOPIPTSA-N 1 3 349.544 2.602 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cccc(Cl)c1Cl ZINC001161413608 1311882622 /nfs/dbraw/zinc/88/26/22/1311882622.db2.gz QUPMFSBXBNATHQ-BNQQVVLKSA-N 1 3 342.270 2.579 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001015051376 1311882615 /nfs/dbraw/zinc/88/26/15/1311882615.db2.gz AROGUSJLKQZETE-WMZOPIPTSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2cc(C)ccc2C)CC1)N(C)C ZINC001227979357 1311882726 /nfs/dbraw/zinc/88/27/26/1311882726.db2.gz DTRCJEVXADBQLN-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001015051372 1311882882 /nfs/dbraw/zinc/88/28/82/1311882882.db2.gz AROGUSJLKQZETE-SJLPKXTDSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001015051372 1311882886 /nfs/dbraw/zinc/88/28/86/1311882886.db2.gz AROGUSJLKQZETE-SJLPKXTDSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015052829 1311883816 /nfs/dbraw/zinc/88/38/16/1311883816.db2.gz OCFLASUXSYCIFG-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015052829 1311883819 /nfs/dbraw/zinc/88/38/19/1311883819.db2.gz OCFLASUXSYCIFG-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001015054695 1311884468 /nfs/dbraw/zinc/88/44/68/1311884468.db2.gz YRBBKHQVJVDOCX-WOJBJXKFSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001015054695 1311884471 /nfs/dbraw/zinc/88/44/71/1311884471.db2.gz YRBBKHQVJVDOCX-WOJBJXKFSA-N 1 3 343.515 2.540 20 0 EFADHO CN(CC(=O)N(Cc1ccccc1)C1CC[NH2+]CC1)C1CCCC1 ZINC001161424339 1311884666 /nfs/dbraw/zinc/88/46/66/1311884666.db2.gz HOLCHQWGZLPZJG-UHFFFAOYSA-N 1 3 329.488 2.642 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001227986770 1311884858 /nfs/dbraw/zinc/88/48/58/1311884858.db2.gz MJZHXIFMSCUATQ-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1)N(C)C ZINC001227987032 1311884971 /nfs/dbraw/zinc/88/49/71/1311884971.db2.gz QAEOUICUQBZDJI-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1oc(CN2CCCC3(CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000802652705 1311886513 /nfs/dbraw/zinc/88/65/13/1311886513.db2.gz QMVWWXKYMGHADH-UHFFFAOYSA-N 1 3 334.460 2.936 20 0 EFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)CC2CC[NH2+]CC2)CC1 ZINC001161436913 1311888845 /nfs/dbraw/zinc/88/88/45/1311888845.db2.gz QKGPKOFPWMZBTC-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)CN(C)C ZINC000902571257 1311890603 /nfs/dbraw/zinc/89/06/03/1311890603.db2.gz GVDSLBYSIWRWLN-HNNXBMFYSA-N 1 3 335.492 2.999 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC001161445335 1311891812 /nfs/dbraw/zinc/89/18/12/1311891812.db2.gz OOPXWHPITLRUBB-BZSNNMDCSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161448254 1311892075 /nfs/dbraw/zinc/89/20/75/1311892075.db2.gz AGAUFHLWVDYCRY-QGZVFWFLSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001161487299 1311898371 /nfs/dbraw/zinc/89/83/71/1311898371.db2.gz FISOFSTVHLTUQO-ZBFHGGJFSA-N 1 3 343.393 2.683 20 0 EFADHO C[C@@H](Nc1cccc(N2CCC([NH3+])CC2)n1)c1ccc2c(c1)OCO2 ZINC001161516187 1311905592 /nfs/dbraw/zinc/90/55/92/1311905592.db2.gz NRAYEFGWGRYANB-CYBMUJFWSA-N 1 3 340.427 2.911 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091561 1311905950 /nfs/dbraw/zinc/90/59/50/1311905950.db2.gz WYQWYKWANBPEGO-ROUUACIJSA-N 1 3 341.499 2.875 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)CC1 ZINC001228341996 1311933294 /nfs/dbraw/zinc/93/32/94/1311933294.db2.gz QHJORACIDLWQAS-ZIAGYGMSSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccccc1F ZINC001228354692 1311935942 /nfs/dbraw/zinc/93/59/42/1311935942.db2.gz BDIMFWJTPOKWST-BMGDILEWSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001228444553 1311948796 /nfs/dbraw/zinc/94/87/96/1311948796.db2.gz CSTWJVUGYWBUEL-BZUAXINKSA-N 1 3 345.478 2.635 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2C)CC1 ZINC001161755162 1311966157 /nfs/dbraw/zinc/96/61/57/1311966157.db2.gz OUCRMXSYZLEVRZ-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2C)CC1 ZINC001161755162 1311966160 /nfs/dbraw/zinc/96/61/60/1311966160.db2.gz OUCRMXSYZLEVRZ-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(Cl)Cl)C1 ZINC001228602689 1311968564 /nfs/dbraw/zinc/96/85/64/1311968564.db2.gz JHVIUHCTIYNYJJ-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001161785868 1311972227 /nfs/dbraw/zinc/97/22/27/1311972227.db2.gz UKQNWAINODOQAH-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001161785868 1311972232 /nfs/dbraw/zinc/97/22/32/1311972232.db2.gz UKQNWAINODOQAH-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCCC(C)C)CC1 ZINC001161785355 1311972392 /nfs/dbraw/zinc/97/23/92/1311972392.db2.gz NJTIPLGUEFZUPG-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001161785355 1311972394 /nfs/dbraw/zinc/97/23/94/1311972394.db2.gz NJTIPLGUEFZUPG-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)N(C)C ZINC001228661261 1311976780 /nfs/dbraw/zinc/97/67/80/1311976780.db2.gz PNLBJSXFJOELLA-QRVBRYPASA-N 1 3 331.504 2.586 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl)N(C)C ZINC001228660303 1311977050 /nfs/dbraw/zinc/97/70/50/1311977050.db2.gz CXXPJEHWOPPUCU-UPJWGTAASA-N 1 3 336.307 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001228661792 1311977698 /nfs/dbraw/zinc/97/76/98/1311977698.db2.gz XNPXNZKLWWIHAT-QRVBRYPASA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001161863235 1311989913 /nfs/dbraw/zinc/98/99/13/1311989913.db2.gz PHALSFDGWOKTPP-GOSISDBHSA-N 1 3 347.528 2.647 20 0 EFADHO Cc1cc(CN2CC=C(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001161863235 1311989914 /nfs/dbraw/zinc/98/99/14/1311989914.db2.gz PHALSFDGWOKTPP-GOSISDBHSA-N 1 3 347.528 2.647 20 0 EFADHO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)cc1 ZINC001161874680 1311992679 /nfs/dbraw/zinc/99/26/79/1311992679.db2.gz IYFBHSINZVEUSF-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)cc1 ZINC001161874680 1311992681 /nfs/dbraw/zinc/99/26/81/1311992681.db2.gz IYFBHSINZVEUSF-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161942291 1312009803 /nfs/dbraw/zinc/00/98/03/1312009803.db2.gz JGMBPPFPLKAWEO-UHFFFAOYSA-N 1 3 333.520 2.965 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161942291 1312009805 /nfs/dbraw/zinc/00/98/05/1312009805.db2.gz JGMBPPFPLKAWEO-UHFFFAOYSA-N 1 3 333.520 2.965 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCN(CCCCC(F)(F)F)CC2)CC1 ZINC001228888516 1312015574 /nfs/dbraw/zinc/01/55/74/1312015574.db2.gz HICXPKVEIBONRJ-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904353 1312017704 /nfs/dbraw/zinc/01/77/04/1312017704.db2.gz AKCOEEBYKFCEJM-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC ZINC001229175102 1312057201 /nfs/dbraw/zinc/05/72/01/1312057201.db2.gz XSXJLRARKWIECG-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CCCCC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001229193636 1312059870 /nfs/dbraw/zinc/05/98/70/1312059870.db2.gz NESYTSMMVGJHAY-IBGZPJMESA-N 1 3 341.515 2.970 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001229237383 1312065421 /nfs/dbraw/zinc/06/54/21/1312065421.db2.gz CILUMLYXMXXCIX-BZUAXINKSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)N(C)C ZINC001229253846 1312068173 /nfs/dbraw/zinc/06/81/73/1312068173.db2.gz LDIFDIOTIBGYSY-IBGZPJMESA-N 1 3 342.487 2.589 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1)N(C)C ZINC001229254184 1312068502 /nfs/dbraw/zinc/06/85/02/1312068502.db2.gz QAEOUICUQBZDJI-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001229253272 1312068543 /nfs/dbraw/zinc/06/85/43/1312068543.db2.gz AFLQNDGCBHYGLJ-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015386019 1312088857 /nfs/dbraw/zinc/08/88/57/1312088857.db2.gz GERPDPUHOLGXNX-UXHICEINSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015386019 1312088859 /nfs/dbraw/zinc/08/88/59/1312088859.db2.gz GERPDPUHOLGXNX-UXHICEINSA-N 1 3 345.531 2.942 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392000 1312091908 /nfs/dbraw/zinc/09/19/08/1312091908.db2.gz LUJZQEGQDGRSQU-GOSISDBHSA-N 1 3 329.488 2.561 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015392260 1312091928 /nfs/dbraw/zinc/09/19/28/1312091928.db2.gz NGZSWUBYPBYCPO-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015392260 1312091932 /nfs/dbraw/zinc/09/19/32/1312091932.db2.gz NGZSWUBYPBYCPO-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015392259 1312092082 /nfs/dbraw/zinc/09/20/82/1312092082.db2.gz NGZSWUBYPBYCPO-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015392259 1312092084 /nfs/dbraw/zinc/09/20/84/1312092084.db2.gz NGZSWUBYPBYCPO-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015392261 1312092314 /nfs/dbraw/zinc/09/23/14/1312092314.db2.gz NGZSWUBYPBYCPO-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015392261 1312092316 /nfs/dbraw/zinc/09/23/16/1312092316.db2.gz NGZSWUBYPBYCPO-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+][C@H]1CCC[C@H](Nc2nc(N3CCOCC3)cc3ccccc32)C1 ZINC001162395912 1312097931 /nfs/dbraw/zinc/09/79/31/1312097931.db2.gz WXIVZJCBEIJWJY-HOTGVXAUSA-N 1 3 326.444 2.753 20 0 EFADHO CN(Cc1ccc(-n2cncc2-c2cccc(C[NH3+])c2)nc1)C1CC1 ZINC001162569241 1312126455 /nfs/dbraw/zinc/12/64/55/1312126455.db2.gz PGQZSWIDDSXQLC-UHFFFAOYSA-N 1 3 333.439 2.987 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@@]3(F)CCCC[NH2+]C3)cn2)CC1 ZINC001162581115 1312128991 /nfs/dbraw/zinc/12/89/91/1312128991.db2.gz YQDMCTBRFXTNRJ-LJQANCHMSA-N 1 3 349.498 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1)N(C)C ZINC001229746142 1312131953 /nfs/dbraw/zinc/13/19/53/1312131953.db2.gz IEOOGBBHTAKTDK-AQNXPRMDSA-N 1 3 345.531 2.976 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC001229868749 1312151832 /nfs/dbraw/zinc/15/18/32/1312151832.db2.gz MNYGUQZQEZXFDF-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015498304 1312153204 /nfs/dbraw/zinc/15/32/04/1312153204.db2.gz KFIBRXLKWLPIHA-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001162762796 1312169986 /nfs/dbraw/zinc/16/99/86/1312169986.db2.gz KYQXHHBVYSTHEO-HIFRSBDPSA-N 1 3 348.454 2.644 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)NC1CCN(CCOCC)CC1 ZINC001230015599 1312171540 /nfs/dbraw/zinc/17/15/40/1312171540.db2.gz HTQCOSQHQRZQBP-UHFFFAOYSA-N 1 3 341.540 2.506 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001162777463 1312173662 /nfs/dbraw/zinc/17/36/62/1312173662.db2.gz CIBGBAVEXCVYIZ-GDBMZVCRSA-N 1 3 335.455 2.578 20 0 EFADHO c1cc2c(cc1CNc1cncc([C@@H]3CN4CCC3CC4)n1)CC[NH2+]C2 ZINC001162807268 1312179920 /nfs/dbraw/zinc/17/99/20/1312179920.db2.gz DPJMATYUQRBTRC-LJQANCHMSA-N 1 3 349.482 2.544 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832259 1312186147 /nfs/dbraw/zinc/18/61/47/1312186147.db2.gz MQWZRXNUFZCDNU-HXUWFJFHSA-N 1 3 345.531 2.644 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001230112957 1312188435 /nfs/dbraw/zinc/18/84/35/1312188435.db2.gz IZLFLYLTMLWTKX-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001230112904 1312188638 /nfs/dbraw/zinc/18/86/38/1312188638.db2.gz GLTOEFRPZNDZMM-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001230115323 1312189896 /nfs/dbraw/zinc/18/98/96/1312189896.db2.gz OPGKSRHYNDZPMF-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2ccccc2C)CC1 ZINC001230115442 1312190007 /nfs/dbraw/zinc/19/00/07/1312190007.db2.gz XARBLUDFKJBQNP-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CC/C=C/CC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679522 1312203927 /nfs/dbraw/zinc/20/39/27/1312203927.db2.gz JGFMLRZMQHAHAT-SNAWJCMRSA-N 1 3 335.536 2.903 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597588 1312204821 /nfs/dbraw/zinc/20/48/21/1312204821.db2.gz VQAYVVZHPDBNHZ-DLBZAZTESA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597588 1312204824 /nfs/dbraw/zinc/20/48/24/1312204824.db2.gz VQAYVVZHPDBNHZ-DLBZAZTESA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597216 1312204961 /nfs/dbraw/zinc/20/49/61/1312204961.db2.gz OPPJZPLHKQPMLX-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597216 1312204964 /nfs/dbraw/zinc/20/49/64/1312204964.db2.gz OPPJZPLHKQPMLX-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597590 1312205464 /nfs/dbraw/zinc/20/54/64/1312205464.db2.gz VQAYVVZHPDBNHZ-IRXDYDNUSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597590 1312205468 /nfs/dbraw/zinc/20/54/68/1312205468.db2.gz VQAYVVZHPDBNHZ-IRXDYDNUSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001162928056 1312205672 /nfs/dbraw/zinc/20/56/72/1312205672.db2.gz CFMKHXWRQUBQPY-LJQANCHMSA-N 1 3 345.531 2.645 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928826 1312206270 /nfs/dbraw/zinc/20/62/70/1312206270.db2.gz OPWSXVLAOISEOB-IBGZPJMESA-N 1 3 345.531 2.932 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864068 1312206315 /nfs/dbraw/zinc/20/63/15/1312206315.db2.gz BOBSBXKPYXVQLH-YTQUADARSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001048864068 1312206316 /nfs/dbraw/zinc/20/63/16/1312206316.db2.gz BOBSBXKPYXVQLH-YTQUADARSA-N 1 3 341.499 2.622 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH2+]CCC1CC1)CCc1ccccc1)N(C)C ZINC001162934985 1312206883 /nfs/dbraw/zinc/20/68/83/1312206883.db2.gz NRAJFBMSVFOLDC-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603576 1312208315 /nfs/dbraw/zinc/20/83/15/1312208315.db2.gz VNTOBHMHHOQQDU-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603576 1312208319 /nfs/dbraw/zinc/20/83/19/1312208319.db2.gz VNTOBHMHHOQQDU-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603573 1312209111 /nfs/dbraw/zinc/20/91/11/1312209111.db2.gz VNTOBHMHHOQQDU-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603573 1312209114 /nfs/dbraw/zinc/20/91/14/1312209114.db2.gz VNTOBHMHHOQQDU-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001230284613 1312215385 /nfs/dbraw/zinc/21/53/85/1312215385.db2.gz NVUIQVYIDJLAOP-QZTJIDSGSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2C1)N(C)C ZINC001048875904 1312216373 /nfs/dbraw/zinc/21/63/73/1312216373.db2.gz SVZIKVLYUDLNIJ-OTWHNJEPSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2C1)N(C)C ZINC001048875904 1312216374 /nfs/dbraw/zinc/21/63/74/1312216374.db2.gz SVZIKVLYUDLNIJ-OTWHNJEPSA-N 1 3 347.547 2.543 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001015616190 1312217700 /nfs/dbraw/zinc/21/77/00/1312217700.db2.gz QLBCQVNWIXAACY-VDGAXYAQSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001015616190 1312217702 /nfs/dbraw/zinc/21/77/02/1312217702.db2.gz QLBCQVNWIXAACY-VDGAXYAQSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)N(C)CC(=O)N(CC[NH2+]CCC1CC1)CCc1ccccc1 ZINC001163006214 1312224457 /nfs/dbraw/zinc/22/44/57/1312224457.db2.gz ACEURUJYXAGISV-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001230367301 1312230350 /nfs/dbraw/zinc/23/03/50/1312230350.db2.gz VAGXRYYMWSIBKM-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001230366917 1312230364 /nfs/dbraw/zinc/23/03/64/1312230364.db2.gz NBMVVYQPKJNWGC-OAHLLOKOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001048891574 1312230478 /nfs/dbraw/zinc/23/04/78/1312230478.db2.gz QGMJUTSRKAFXKY-QCRHNUIXSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001048891574 1312230481 /nfs/dbraw/zinc/23/04/81/1312230481.db2.gz QGMJUTSRKAFXKY-QCRHNUIXSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1)N(C)C ZINC001048891184 1312230502 /nfs/dbraw/zinc/23/05/02/1312230502.db2.gz LOLDRFOXYZPDPG-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1)N(C)C ZINC001048891184 1312230506 /nfs/dbraw/zinc/23/05/06/1312230506.db2.gz LOLDRFOXYZPDPG-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001163087935 1312238302 /nfs/dbraw/zinc/23/83/02/1312238302.db2.gz VGWOIARDGYRIMH-CVEARBPZSA-N 1 3 330.476 2.641 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001015648376 1312245145 /nfs/dbraw/zinc/24/51/45/1312245145.db2.gz GSVSPRTUZOGCAF-HXUWFJFHSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(F)cc2ncnc(Cl)c21 ZINC001163128386 1312246757 /nfs/dbraw/zinc/24/67/57/1312246757.db2.gz JGXLRXLPZXPDHF-UHFFFAOYSA-N 1 3 338.818 2.700 20 0 EFADHO CC[C@H](C)c1nc2[nH]ccc2c(NC(=[NH2+])NCCN(CC)CC)n1 ZINC001163130183 1312247484 /nfs/dbraw/zinc/24/74/84/1312247484.db2.gz ZLMXLWXGCANVND-LBPRGKRZSA-N 1 3 331.468 2.749 20 0 EFADHO COC(=O)c1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000902972358 1312252607 /nfs/dbraw/zinc/25/26/07/1312252607.db2.gz CTMCQOKXAKOQQC-IRXDYDNUSA-N 1 3 348.487 2.933 20 0 EFADHO COC(=O)c1ccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000902972358 1312252611 /nfs/dbraw/zinc/25/26/11/1312252611.db2.gz CTMCQOKXAKOQQC-IRXDYDNUSA-N 1 3 348.487 2.933 20 0 EFADHO CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537538 1312259822 /nfs/dbraw/zinc/25/98/22/1312259822.db2.gz HOVWRDFRZSIRJU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537538 1312259825 /nfs/dbraw/zinc/25/98/25/1312259825.db2.gz HOVWRDFRZSIRJU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537539 1312260032 /nfs/dbraw/zinc/26/00/32/1312260032.db2.gz HOVWRDFRZSIRJU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001230537539 1312260034 /nfs/dbraw/zinc/26/00/34/1312260034.db2.gz HOVWRDFRZSIRJU-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO c1cc2c(s1)[C@@H](Nc1ncnc3sc4c(c31)CC[NH2+]C4)CNC2 ZINC001163219903 1312267165 /nfs/dbraw/zinc/26/71/65/1312267165.db2.gz HRYCSMBAZOZASL-NSHDSACASA-N 1 3 343.481 2.655 20 0 EFADHO Fc1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1CN1CCCC1 ZINC001163291393 1312283593 /nfs/dbraw/zinc/28/35/93/1312283593.db2.gz PSZOQQKRBGRTSL-OXJNMPFZSA-N 1 3 347.478 2.992 20 0 EFADHO CN1CCCC[C@@H]1c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc1 ZINC001163312984 1312287005 /nfs/dbraw/zinc/28/70/05/1312287005.db2.gz ABIHYHFWKRSVFK-LMMKCTJWSA-N 1 3 330.476 2.561 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628915 1312289723 /nfs/dbraw/zinc/28/97/23/1312289723.db2.gz LFIUZQANTUCUSP-QZTJIDSGSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628915 1312289725 /nfs/dbraw/zinc/28/97/25/1312289725.db2.gz LFIUZQANTUCUSP-QZTJIDSGSA-N 1 3 341.515 2.778 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705662 1312289890 /nfs/dbraw/zinc/28/98/90/1312289890.db2.gz NQWTZVSLILTKQC-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705662 1312289894 /nfs/dbraw/zinc/28/98/94/1312289894.db2.gz NQWTZVSLILTKQC-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705861 1312291961 /nfs/dbraw/zinc/29/19/61/1312291961.db2.gz QLHBUEBYYYPQTE-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705861 1312291965 /nfs/dbraw/zinc/29/19/65/1312291965.db2.gz QLHBUEBYYYPQTE-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CCSc1ccccc1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277462847 1312312077 /nfs/dbraw/zinc/31/20/77/1312312077.db2.gz CJVOILNLYMPACX-UHFFFAOYSA-N 1 3 333.545 2.868 20 0 EFADHO CC(C)CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccnc1 ZINC001230716714 1312317985 /nfs/dbraw/zinc/31/79/85/1312317985.db2.gz LDWQZCKSMSKQCL-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1cccnc1 ZINC001230716714 1312317989 /nfs/dbraw/zinc/31/79/89/1312317989.db2.gz LDWQZCKSMSKQCL-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCN(C)C[C@H]2c2ccccc2)n1 ZINC001163669065 1312358980 /nfs/dbraw/zinc/35/89/80/1312358980.db2.gz JACHBNJBVYTSJI-SFHVURJKSA-N 1 3 337.471 2.878 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC001163669065 1312358984 /nfs/dbraw/zinc/35/89/84/1312358984.db2.gz JACHBNJBVYTSJI-SFHVURJKSA-N 1 3 337.471 2.878 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC001163669065 1312358988 /nfs/dbraw/zinc/35/89/88/1312358988.db2.gz JACHBNJBVYTSJI-SFHVURJKSA-N 1 3 337.471 2.878 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107268 1312361352 /nfs/dbraw/zinc/36/13/52/1312361352.db2.gz PLBVFSMOAJWQMU-ZNMIVQPWSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107268 1312361354 /nfs/dbraw/zinc/36/13/54/1312361354.db2.gz PLBVFSMOAJWQMU-ZNMIVQPWSA-N 1 3 325.497 2.895 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015794466 1312364520 /nfs/dbraw/zinc/36/45/20/1312364520.db2.gz HDHPDSGMWMKRHY-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796666 1312367122 /nfs/dbraw/zinc/36/71/22/1312367122.db2.gz ZIMHFVFTEGHMDX-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796666 1312367125 /nfs/dbraw/zinc/36/71/25/1312367125.db2.gz ZIMHFVFTEGHMDX-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C)C[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871354 1312375424 /nfs/dbraw/zinc/37/54/24/1312375424.db2.gz DGKZYIJVGBATJV-GOSISDBHSA-N 1 3 348.535 2.778 20 0 EFADHO CC[C@@H](C)C[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871354 1312375427 /nfs/dbraw/zinc/37/54/27/1312375427.db2.gz DGKZYIJVGBATJV-GOSISDBHSA-N 1 3 348.535 2.778 20 0 EFADHO CC(C)N1CCN(Cc2ccc(N[C@@H](C)C[NH+](C)C)c(F)c2)CC1 ZINC001163785880 1312384167 /nfs/dbraw/zinc/38/41/67/1312384167.db2.gz IWOXCEPEGYMRGV-INIZCTEOSA-N 1 3 336.499 2.714 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2(CCNC(=O)[C@H]3CCCN3C)CC2)c1 ZINC001163820605 1312387815 /nfs/dbraw/zinc/38/78/15/1312387815.db2.gz GMZMRLMFFLILHH-GOSISDBHSA-N 1 3 347.478 2.604 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(Cc1ccccc1C)C2 ZINC001277470447 1312389331 /nfs/dbraw/zinc/38/93/31/1312389331.db2.gz RPFMSEZUDOAUAW-LJQANCHMSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]3C2)cs1 ZINC001049038784 1312392175 /nfs/dbraw/zinc/39/21/75/1312392175.db2.gz MACYTQNMSPJGEV-FGTMMUONSA-N 1 3 349.544 2.533 20 0 EFADHO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]3C2)cs1 ZINC001049038784 1312392179 /nfs/dbraw/zinc/39/21/79/1312392179.db2.gz MACYTQNMSPJGEV-FGTMMUONSA-N 1 3 349.544 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049039464 1312392419 /nfs/dbraw/zinc/39/24/19/1312392419.db2.gz QUSJWYGXWOFSBX-HSALFYBXSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049039464 1312392421 /nfs/dbraw/zinc/39/24/21/1312392421.db2.gz QUSJWYGXWOFSBX-HSALFYBXSA-N 1 3 347.547 2.853 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001049058624 1312413366 /nfs/dbraw/zinc/41/33/66/1312413366.db2.gz HDTLATJZXHOSRA-TUEWSUPBSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001049058624 1312413367 /nfs/dbraw/zinc/41/33/67/1312413367.db2.gz HDTLATJZXHOSRA-TUEWSUPBSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCCC4)C[C@@H]3C2)C1 ZINC001049059066 1312413922 /nfs/dbraw/zinc/41/39/22/1312413922.db2.gz MINSZWDYLNRSLQ-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCCC4)C[C@@H]3C2)C1 ZINC001049059066 1312413926 /nfs/dbraw/zinc/41/39/26/1312413926.db2.gz MINSZWDYLNRSLQ-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC(=O)OCc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000903159313 1312417340 /nfs/dbraw/zinc/41/73/40/1312417340.db2.gz FZNLVEBLTQWXIE-SJORKVTESA-N 1 3 348.487 2.901 20 0 EFADHO CC(=O)OCc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000903159313 1312417341 /nfs/dbraw/zinc/41/73/41/1312417341.db2.gz FZNLVEBLTQWXIE-SJORKVTESA-N 1 3 348.487 2.901 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001049067359 1312419537 /nfs/dbraw/zinc/41/95/37/1312419537.db2.gz YEXMOHQEHLHING-NWGLXNPWSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001049067359 1312419538 /nfs/dbraw/zinc/41/95/38/1312419538.db2.gz YEXMOHQEHLHING-NWGLXNPWSA-N 1 3 347.478 2.617 20 0 EFADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H]1c1ccccc1 ZINC000903172175 1312427686 /nfs/dbraw/zinc/42/76/86/1312427686.db2.gz MQUBMLMTFWLCJV-VUQUMOFBSA-N 1 3 326.484 2.900 20 0 EFADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1c1ccccc1 ZINC000903172175 1312427690 /nfs/dbraw/zinc/42/76/90/1312427690.db2.gz MQUBMLMTFWLCJV-VUQUMOFBSA-N 1 3 326.484 2.900 20 0 EFADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H]1c1ccccc1 ZINC000903172174 1312428072 /nfs/dbraw/zinc/42/80/72/1312428072.db2.gz MQUBMLMTFWLCJV-QQFYDIPVSA-N 1 3 326.484 2.900 20 0 EFADHO OC[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1c1ccccc1 ZINC000903172174 1312428075 /nfs/dbraw/zinc/42/80/75/1312428075.db2.gz MQUBMLMTFWLCJV-QQFYDIPVSA-N 1 3 326.484 2.900 20 0 EFADHO CC1(C)CCC(C[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC1 ZINC001049083587 1312437592 /nfs/dbraw/zinc/43/75/92/1312437592.db2.gz KHEOONDASTYOOQ-CALCHBBNSA-N 1 3 344.503 2.559 20 0 EFADHO CC1(C)CCC(C[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)CC1 ZINC001049083587 1312437595 /nfs/dbraw/zinc/43/75/95/1312437595.db2.gz KHEOONDASTYOOQ-CALCHBBNSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H](NCc1cc(N(C)C)ccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000903201877 1312458035 /nfs/dbraw/zinc/45/80/35/1312458035.db2.gz QEZIWTXVNGXDKV-INIZCTEOSA-N 1 3 342.487 2.939 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997576 1312500458 /nfs/dbraw/zinc/50/04/58/1312500458.db2.gz FMGLIGFJTLIEMD-AZUAARDMSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997576 1312500460 /nfs/dbraw/zinc/50/04/60/1312500460.db2.gz FMGLIGFJTLIEMD-AZUAARDMSA-N 1 3 343.515 2.842 20 0 EFADHO O=C(N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1)C12CC[NH+](CC1)C2 ZINC001016003394 1312505262 /nfs/dbraw/zinc/50/52/62/1312505262.db2.gz HAAKAQFDJHXFRK-HXUWFJFHSA-N 1 3 349.478 2.626 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164486521 1312523582 /nfs/dbraw/zinc/52/35/82/1312523582.db2.gz PBWWZBIOVGLHMA-QXAKKESOSA-N 1 3 337.471 2.519 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncn1 ZINC001164486521 1312523584 /nfs/dbraw/zinc/52/35/84/1312523584.db2.gz PBWWZBIOVGLHMA-QXAKKESOSA-N 1 3 337.471 2.519 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ncn1 ZINC001164486520 1312523859 /nfs/dbraw/zinc/52/38/59/1312523859.db2.gz PBWWZBIOVGLHMA-NZSAHSFTSA-N 1 3 337.471 2.519 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ncn1 ZINC001164486520 1312523862 /nfs/dbraw/zinc/52/38/62/1312523862.db2.gz PBWWZBIOVGLHMA-NZSAHSFTSA-N 1 3 337.471 2.519 20 0 EFADHO CC(C)(C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1)N1CCCCC1 ZINC001164535871 1312535497 /nfs/dbraw/zinc/53/54/97/1312535497.db2.gz AGHPBQFFDMKNBN-POHAHGRESA-N 1 3 341.927 2.880 20 0 EFADHO COCc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)o1 ZINC001231691070 1312550105 /nfs/dbraw/zinc/55/01/05/1312550105.db2.gz ASJIVNXVNSYENK-UHFFFAOYSA-N 1 3 336.476 2.750 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)c2)cn1 ZINC001165083585 1312564572 /nfs/dbraw/zinc/56/45/72/1312564572.db2.gz YLVRWPZHWMHVAI-QUCCMNQESA-N 1 3 345.450 2.978 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)c2)cn1 ZINC001165083585 1312564575 /nfs/dbraw/zinc/56/45/75/1312564575.db2.gz YLVRWPZHWMHVAI-QUCCMNQESA-N 1 3 345.450 2.978 20 0 EFADHO CSc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001231787553 1312565602 /nfs/dbraw/zinc/56/56/02/1312565602.db2.gz OKLXDEQZGAEWIR-UHFFFAOYSA-N 1 3 333.545 2.868 20 0 EFADHO CN(Cc1ccc(N2C[C@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1)C1CC1 ZINC001165167595 1312580505 /nfs/dbraw/zinc/58/05/05/1312580505.db2.gz DKKKVXOQVLABIX-DENIHFKCSA-N 1 3 348.494 2.653 20 0 EFADHO c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001165168573 1312580948 /nfs/dbraw/zinc/58/09/48/1312580948.db2.gz LMDAPRCSRCAYLX-IRLDBZIGSA-N 1 3 348.494 2.655 20 0 EFADHO [NH3+][C@H]1CCN(c2ccc(NC3=CCCN(Cc4ccccc4)C3)cn2)C1 ZINC001165213126 1312587626 /nfs/dbraw/zinc/58/76/26/1312587626.db2.gz LGEDPDRFNNZGHX-SFHVURJKSA-N 1 3 349.482 2.821 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231843 1312606433 /nfs/dbraw/zinc/60/64/33/1312606433.db2.gz MTVJZLWFMHXTCV-RWQQGDIJSA-N 1 3 335.536 2.686 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231843 1312606437 /nfs/dbraw/zinc/60/64/37/1312606437.db2.gz MTVJZLWFMHXTCV-RWQQGDIJSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CCC4)C[C@@H]3C2)c1 ZINC001049231605 1312606588 /nfs/dbraw/zinc/60/65/88/1312606588.db2.gz GEDZQQDHHYZZKD-BGYRXZFFSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CC4CCC4)C[C@@H]3C2)c1 ZINC001049231605 1312606591 /nfs/dbraw/zinc/60/65/91/1312606591.db2.gz GEDZQQDHHYZZKD-BGYRXZFFSA-N 1 3 341.499 2.552 20 0 EFADHO CC[C@H](F)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232345 1312607141 /nfs/dbraw/zinc/60/71/41/1312607141.db2.gz STXCIQBVDRFJRK-OTWHNJEPSA-N 1 3 347.478 2.500 20 0 EFADHO CC[C@H](F)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232345 1312607144 /nfs/dbraw/zinc/60/71/44/1312607144.db2.gz STXCIQBVDRFJRK-OTWHNJEPSA-N 1 3 347.478 2.500 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049234019 1312609437 /nfs/dbraw/zinc/60/94/37/1312609437.db2.gz VNJBCCIDHQSENK-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049234019 1312609442 /nfs/dbraw/zinc/60/94/42/1312609442.db2.gz VNJBCCIDHQSENK-OTWHNJEPSA-N 1 3 347.547 2.687 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCNCc1cccc(Cl)c1Cl ZINC001165359686 1312615915 /nfs/dbraw/zinc/61/59/15/1312615915.db2.gz GOEVODDMWQTOHS-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(F)cc(CN(C)C)c2)C(C)C)C1 ZINC001232149668 1312634125 /nfs/dbraw/zinc/63/41/25/1312634125.db2.gz OBMMOZSYMBKWNN-LJQANCHMSA-N 1 3 335.467 2.719 20 0 EFADHO CC(=O)N1CC[C@@H]([N@H+](Cc2cc(F)cc(CN(C)C)c2)C(C)C)C1 ZINC001232149668 1312634129 /nfs/dbraw/zinc/63/41/29/1312634129.db2.gz OBMMOZSYMBKWNN-LJQANCHMSA-N 1 3 335.467 2.719 20 0 EFADHO Cc1cc(N2CCN(Cc3cc(F)cc(CN(C)C)c3)CC2)cc[nH+]1 ZINC001232148311 1312634243 /nfs/dbraw/zinc/63/42/43/1312634243.db2.gz BGGDARACTSRPQS-UHFFFAOYSA-N 1 3 342.462 2.913 20 0 EFADHO Cc1c[nH+]ccc1N1CCN(Cc2cc(F)cc(CN(C)C)c2)CC1 ZINC001232150602 1312635515 /nfs/dbraw/zinc/63/55/15/1312635515.db2.gz IWOJYNVVDJWGAG-UHFFFAOYSA-N 1 3 342.462 2.913 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165484435 1312636295 /nfs/dbraw/zinc/63/62/95/1312636295.db2.gz DPIFZRXMNUSIFG-SJLPKXTDSA-N 1 3 337.552 2.885 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1)C1CC1 ZINC001165485479 1312637006 /nfs/dbraw/zinc/63/70/06/1312637006.db2.gz XHHJTXHOYMGWAT-AWEZNQCLSA-N 1 3 348.318 2.522 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1)C1CC1 ZINC001165485480 1312637025 /nfs/dbraw/zinc/63/70/25/1312637025.db2.gz XHHJTXHOYMGWAT-CQSZACIVSA-N 1 3 348.318 2.522 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)C1CC1 ZINC001165485333 1312637081 /nfs/dbraw/zinc/63/70/81/1312637081.db2.gz SAXCWNLRWQIESB-SFHVURJKSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001165509115 1312640137 /nfs/dbraw/zinc/64/01/37/1312640137.db2.gz KEOMKHSRMBXXSJ-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC001165718212 1312669433 /nfs/dbraw/zinc/66/94/33/1312669433.db2.gz DXKRQOYIJACRQY-FUHWJXTLSA-N 1 3 331.504 2.964 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864242 1314430804 /nfs/dbraw/zinc/43/08/04/1314430804.db2.gz CYNKPHFYQWMWPC-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864242 1314430806 /nfs/dbraw/zinc/43/08/06/1314430806.db2.gz CYNKPHFYQWMWPC-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865429 1314432006 /nfs/dbraw/zinc/43/20/06/1314432006.db2.gz OFRDETKQHPBVIA-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865429 1314432007 /nfs/dbraw/zinc/43/20/07/1314432007.db2.gz OFRDETKQHPBVIA-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001052897224 1314457932 /nfs/dbraw/zinc/45/79/32/1314457932.db2.gz HNJWHQQVJHEDGB-SFHVURJKSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001052897224 1314457936 /nfs/dbraw/zinc/45/79/36/1314457936.db2.gz HNJWHQQVJHEDGB-SFHVURJKSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052897947 1314458904 /nfs/dbraw/zinc/45/89/04/1314458904.db2.gz PEVIZRQHYLGYDD-KRWDZBQOSA-N 1 3 330.476 2.732 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052897947 1314458906 /nfs/dbraw/zinc/45/89/06/1314458906.db2.gz PEVIZRQHYLGYDD-KRWDZBQOSA-N 1 3 330.476 2.732 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250949 1314463367 /nfs/dbraw/zinc/46/33/67/1314463367.db2.gz YTOXHBHHNUHTSC-SFHVURJKSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001211269288 1314466799 /nfs/dbraw/zinc/46/67/99/1314466799.db2.gz OZDAMNJVKINUQO-GOSISDBHSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1ccc(CCC[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211275936 1314467805 /nfs/dbraw/zinc/46/78/05/1314467805.db2.gz CLVXFXCGDRJYNZ-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001211276837 1314468302 /nfs/dbraw/zinc/46/83/02/1314468302.db2.gz JCPIKNJDCYXEST-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001211279115 1314468363 /nfs/dbraw/zinc/46/83/63/1314468363.db2.gz VYHVOTRXJRVAAD-IEBWSBKVSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001211282842 1314468705 /nfs/dbraw/zinc/46/87/05/1314468705.db2.gz DCTUFOFKIVQJEA-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211282520 1314468779 /nfs/dbraw/zinc/46/87/79/1314468779.db2.gz AZLRWDMQRVUULO-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001211287142 1314469779 /nfs/dbraw/zinc/46/97/79/1314469779.db2.gz ZXVXLINGLFGSGY-BEFAXECRSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001211285778 1314469851 /nfs/dbraw/zinc/46/98/51/1314469851.db2.gz RJNKTROUZOKZLM-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211367176 1314484937 /nfs/dbraw/zinc/48/49/37/1314484937.db2.gz OZCDITANEIQMMI-GUDVDZBRSA-N 1 3 335.536 2.900 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931731 1314489976 /nfs/dbraw/zinc/48/99/76/1314489976.db2.gz BIYOCQBVOAJQJK-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931731 1314489982 /nfs/dbraw/zinc/48/99/82/1314489982.db2.gz BIYOCQBVOAJQJK-SJLPKXTDSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931729 1314490059 /nfs/dbraw/zinc/49/00/59/1314490059.db2.gz BIYOCQBVOAJQJK-AEFFLSMTSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931729 1314490062 /nfs/dbraw/zinc/49/00/62/1314490062.db2.gz BIYOCQBVOAJQJK-AEFFLSMTSA-N 1 3 349.906 2.762 20 0 EFADHO C[NH+](C)Cc1c[nH]c2nccc(C3=CC[C@H](N4CCOCC4)CC3)c12 ZINC001245429860 1314490486 /nfs/dbraw/zinc/49/04/86/1314490486.db2.gz ZVDUVMFFTSXFSB-KRWDZBQOSA-N 1 3 340.471 2.893 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931732 1314490963 /nfs/dbraw/zinc/49/09/63/1314490963.db2.gz BIYOCQBVOAJQJK-WMZOPIPTSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931732 1314490968 /nfs/dbraw/zinc/49/09/68/1314490968.db2.gz BIYOCQBVOAJQJK-WMZOPIPTSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933147 1314492610 /nfs/dbraw/zinc/49/26/10/1314492610.db2.gz WJPNIWDHDHGMBI-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933147 1314492614 /nfs/dbraw/zinc/49/26/14/1314492614.db2.gz WJPNIWDHDHGMBI-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CC3CC3)CC2)c1 ZINC001052954790 1314514998 /nfs/dbraw/zinc/51/49/98/1314514998.db2.gz SGUZPNDFQHMXID-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)c1 ZINC001052954790 1314515002 /nfs/dbraw/zinc/51/50/02/1314515002.db2.gz SGUZPNDFQHMXID-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001019820634 1314516047 /nfs/dbraw/zinc/51/60/47/1314516047.db2.gz RPNVDXSZBQGVCT-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001019820645 1314516415 /nfs/dbraw/zinc/51/64/15/1314516415.db2.gz RXEHOFPEPHDAMC-RBUKOAKNSA-N 1 3 347.478 2.721 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052956680 1314516725 /nfs/dbraw/zinc/51/67/25/1314516725.db2.gz XDUMTJYPHSSLDZ-GJZGRUSLSA-N 1 3 349.441 2.784 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052956680 1314516731 /nfs/dbraw/zinc/51/67/31/1314516731.db2.gz XDUMTJYPHSSLDZ-GJZGRUSLSA-N 1 3 349.441 2.784 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCC(C)(C)C)CC1 ZINC001052984936 1314542500 /nfs/dbraw/zinc/54/25/00/1314542500.db2.gz XOPPNLLLSWQXQZ-HDICACEKSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCC(C)(C)C)CC1 ZINC001052984936 1314542504 /nfs/dbraw/zinc/54/25/04/1314542504.db2.gz XOPPNLLLSWQXQZ-HDICACEKSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986760 1314543847 /nfs/dbraw/zinc/54/38/47/1314543847.db2.gz UGEVHJWHBLNTOI-AHRSYUTCSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986760 1314543852 /nfs/dbraw/zinc/54/38/52/1314543852.db2.gz UGEVHJWHBLNTOI-AHRSYUTCSA-N 1 3 347.547 2.972 20 0 EFADHO C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052990038 1314546065 /nfs/dbraw/zinc/54/60/65/1314546065.db2.gz ISKLPBSTGVUGCB-GZEVZEKLSA-N 1 3 331.504 2.502 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980563 1314559081 /nfs/dbraw/zinc/55/90/81/1314559081.db2.gz BUTIQWDEHJLFHT-QQXKLLMISA-N 1 3 326.525 2.558 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245989142 1314560598 /nfs/dbraw/zinc/56/05/98/1314560598.db2.gz YIXUZCDIRDGWAW-FCGDIQPGSA-N 1 3 326.525 2.560 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@@]2(C)CCC[NH2+]CC2)cc1 ZINC001245991346 1314561353 /nfs/dbraw/zinc/56/13/53/1314561353.db2.gz JYUBPEZVKSWYEI-XLIONFOSSA-N 1 3 334.504 2.846 20 0 EFADHO NC1(C[NH2+]C[C@H](O)COc2cccc3ccccc32)CCCCC1 ZINC001245994979 1314561417 /nfs/dbraw/zinc/56/14/17/1314561417.db2.gz QKWCGJBCPOOGMU-KRWDZBQOSA-N 1 3 328.456 2.831 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245993285 1314561850 /nfs/dbraw/zinc/56/18/50/1314561850.db2.gz IRRRKCOFNHPEGJ-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO O[C@@]1(C[NH2+]C2(Cc3cccc(C(F)(F)F)c3)CCC2)CCCNC1 ZINC001246002940 1314564170 /nfs/dbraw/zinc/56/41/70/1314564170.db2.gz VRQVBBSVJGAHSR-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@@]1(CNC2(Cc3cccc(C(F)(F)F)c3)CCC2)CCC[NH2+]C1 ZINC001246002940 1314564174 /nfs/dbraw/zinc/56/41/74/1314564174.db2.gz VRQVBBSVJGAHSR-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@@]1(C[NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)CCCNC1 ZINC001246004521 1314565177 /nfs/dbraw/zinc/56/51/77/1314565177.db2.gz ZLQLQKASUMIIDN-KRWDZBQOSA-N 1 3 342.405 2.732 20 0 EFADHO O[C@]1(C[NH2+]CCc2ccc(CCc3ccccc3)cc2)CCCNC1 ZINC001246016607 1314565643 /nfs/dbraw/zinc/56/56/43/1314565643.db2.gz UFYKGIPIEJMVFI-JOCHJYFZSA-N 1 3 338.495 2.718 20 0 EFADHO O[C@]1(CNCCc2ccc(CCc3ccccc3)cc2)CCC[NH2+]C1 ZINC001246016607 1314565647 /nfs/dbraw/zinc/56/56/47/1314565647.db2.gz UFYKGIPIEJMVFI-JOCHJYFZSA-N 1 3 338.495 2.718 20 0 EFADHO C[C@@H]1C[N@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)Cc2ccccc21 ZINC001246017905 1314566640 /nfs/dbraw/zinc/56/66/40/1314566640.db2.gz CRIXNNUDXKLCSX-CAYVGHNUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@@H]1C[N@@H+](C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)Cc2ccccc21 ZINC001246017905 1314566644 /nfs/dbraw/zinc/56/66/44/1314566644.db2.gz CRIXNNUDXKLCSX-CAYVGHNUSA-N 1 3 346.421 2.815 20 0 EFADHO O[C@@H](CN[C@@H](C1CC1)C1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001246019492 1314567188 /nfs/dbraw/zinc/56/71/88/1314567188.db2.gz KOJFAXPQHFZPNI-UNMCSNQZSA-N 1 3 336.479 2.767 20 0 EFADHO CCC[C@H](O)C[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022779 1314567756 /nfs/dbraw/zinc/56/77/56/1314567756.db2.gz BKZBWUWTHNETHV-PMACEKPBSA-N 1 3 346.515 2.951 20 0 EFADHO CCC[C@H](O)C[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022779 1314567758 /nfs/dbraw/zinc/56/77/58/1314567758.db2.gz BKZBWUWTHNETHV-PMACEKPBSA-N 1 3 346.515 2.951 20 0 EFADHO O[C@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COc1cccc2ccccc21 ZINC001246020968 1314568298 /nfs/dbraw/zinc/56/82/98/1314568298.db2.gz QQJJLCIXJYZJCB-WIYYLYMNSA-N 1 3 340.467 2.557 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+]1CCCc2ccccc2C1 ZINC001246047440 1314573238 /nfs/dbraw/zinc/57/32/38/1314573238.db2.gz WHVIWAWHQVSCMR-VQTJNVASSA-N 1 3 346.421 2.644 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+]1CCCc2ccccc2C1 ZINC001246047440 1314573242 /nfs/dbraw/zinc/57/32/42/1314573242.db2.gz WHVIWAWHQVSCMR-VQTJNVASSA-N 1 3 346.421 2.644 20 0 EFADHO CC(C)C[N@H+](C[C@H](O)CCOCc1ccccc1)[C@@H]1CCCNC1 ZINC001246071366 1314579582 /nfs/dbraw/zinc/57/95/82/1314579582.db2.gz ZSXJWXFNYKNXNS-WOJBJXKFSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)C[N@@H+](C[C@H](O)CCOCc1ccccc1)[C@@H]1CCCNC1 ZINC001246071366 1314579584 /nfs/dbraw/zinc/57/95/84/1314579584.db2.gz ZSXJWXFNYKNXNS-WOJBJXKFSA-N 1 3 334.504 2.664 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001246071352 1314579773 /nfs/dbraw/zinc/57/97/73/1314579773.db2.gz ZFLYZACGQLRGQL-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001246071352 1314579777 /nfs/dbraw/zinc/57/97/77/1314579777.db2.gz ZFLYZACGQLRGQL-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccc(OC[C@@H](O)CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001246071352 1314579780 /nfs/dbraw/zinc/57/97/80/1314579780.db2.gz ZFLYZACGQLRGQL-SFHVURJKSA-N 1 3 334.504 2.835 20 0 EFADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C[NH2+]1 ZINC001246078232 1314580270 /nfs/dbraw/zinc/58/02/70/1314580270.db2.gz BYSGTFRMQPCYIG-ZUWIJXEISA-N 1 3 327.472 2.552 20 0 EFADHO c1ccc(C[C@H]2C[C@H]([NH2+]CCc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246075566 1314580467 /nfs/dbraw/zinc/58/04/67/1314580467.db2.gz JYCJXCRHQGJHPA-MOPGFXCFSA-N 1 3 338.451 2.911 20 0 EFADHO O[C@@]1(CN[C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246094190 1314582066 /nfs/dbraw/zinc/58/20/66/1314582066.db2.gz DIZQRPJFSRLWQV-YOEHRIQHSA-N 1 3 343.298 2.945 20 0 EFADHO O[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCCNC1 ZINC001246094190 1314582068 /nfs/dbraw/zinc/58/20/68/1314582068.db2.gz DIZQRPJFSRLWQV-YOEHRIQHSA-N 1 3 343.298 2.945 20 0 EFADHO Clc1cc(Cl)c2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246149988 1314589791 /nfs/dbraw/zinc/58/97/91/1314589791.db2.gz RIDDRGISDYHOBQ-GNNTXSLPSA-N 1 3 341.282 2.675 20 0 EFADHO CCCC[C@@H]1C[C@@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171878 1314592923 /nfs/dbraw/zinc/59/29/23/1314592923.db2.gz TZVNOIBVBGCQNN-MOPGFXCFSA-N 1 3 337.552 2.922 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246218121 1314598366 /nfs/dbraw/zinc/59/83/66/1314598366.db2.gz MCTSEMBGMCTFIR-UHNFBRDESA-N 1 3 332.822 2.906 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1(C)C ZINC001246216485 1314598716 /nfs/dbraw/zinc/59/87/16/1314598716.db2.gz KXQAJMKEQQHFIJ-OWSLCNJRSA-N 1 3 330.472 2.527 20 0 EFADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1(C)C ZINC001246216485 1314598718 /nfs/dbraw/zinc/59/87/18/1314598718.db2.gz KXQAJMKEQQHFIJ-OWSLCNJRSA-N 1 3 330.472 2.527 20 0 EFADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@]3(O)CCCNC3)ccc2c1 ZINC001246231988 1314599934 /nfs/dbraw/zinc/59/99/34/1314599934.db2.gz PEGIROZHFRNJQJ-IERDGZPVSA-N 1 3 342.483 2.874 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029803 1314602418 /nfs/dbraw/zinc/60/24/18/1314602418.db2.gz WDFNNZWIACRFDP-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029803 1314602422 /nfs/dbraw/zinc/60/24/22/1314602422.db2.gz WDFNNZWIACRFDP-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO Clc1ccc(C2(N[C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c(Cl)c1 ZINC001246254409 1314602829 /nfs/dbraw/zinc/60/28/29/1314602829.db2.gz QJJBDZFYEDXJQV-GFCCVEGCSA-N 1 3 326.271 2.666 20 0 EFADHO c1ccc(C[C@@H]2C[C@H](NC[C@@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246282196 1314605904 /nfs/dbraw/zinc/60/59/04/1314605904.db2.gz UEXCLGUBCXWFGU-VSKRKVRLSA-N 1 3 335.495 2.654 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H](NC[C@@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246282187 1314605932 /nfs/dbraw/zinc/60/59/32/1314605932.db2.gz UEXCLGUBCXWFGU-BDTNDASRSA-N 1 3 335.495 2.654 20 0 EFADHO CC1(C)C[C@H]([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C(C)(C)N1O ZINC001246285296 1314606383 /nfs/dbraw/zinc/60/63/83/1314606383.db2.gz HTOMOPNWOCVWTP-BZSNNMDCSA-N 1 3 331.504 2.960 20 0 EFADHO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001246328350 1314611327 /nfs/dbraw/zinc/61/13/27/1314611327.db2.gz LHOCKDFSXVKITL-YVLXSGLVSA-N 1 3 345.270 2.665 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246348800 1314613859 /nfs/dbraw/zinc/61/38/59/1314613859.db2.gz LQUYNJHQAPODEI-UHOFOFEASA-N 1 3 329.271 2.817 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246346940 1314614119 /nfs/dbraw/zinc/61/41/19/1314614119.db2.gz GPQMOIMRNIVEFD-UHOFOFEASA-N 1 3 329.271 2.817 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246357582 1314614831 /nfs/dbraw/zinc/61/48/31/1314614831.db2.gz BFTNKPBXEQZIOF-SWLSCSKDSA-N 1 3 341.421 2.798 20 0 EFADHO COC(=O)CC1(N[C@H](Cc2ccccc2)CC(C)C)CC[NH2+]CC1 ZINC001246362865 1314615762 /nfs/dbraw/zinc/61/57/62/1314615762.db2.gz IPOMTTDQNVTCEX-SFHVURJKSA-N 1 3 332.488 2.919 20 0 EFADHO COC(=O)CC1([NH2+][C@H](Cc2ccccc2)CC(C)C)CCNCC1 ZINC001246362865 1314615766 /nfs/dbraw/zinc/61/57/66/1314615766.db2.gz IPOMTTDQNVTCEX-SFHVURJKSA-N 1 3 332.488 2.919 20 0 EFADHO Fc1ccc(Cl)cc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246361997 1314615875 /nfs/dbraw/zinc/61/58/75/1314615875.db2.gz ZMXIPYFMNIWTJQ-INIZCTEOSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246361807 1314616244 /nfs/dbraw/zinc/61/62/44/1314616244.db2.gz YJZUUJWEPXIIAX-KBXCAEBGSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038443 1314617791 /nfs/dbraw/zinc/61/77/91/1314617791.db2.gz IBSIJESJOYQKHX-IRXDYDNUSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038443 1314617795 /nfs/dbraw/zinc/61/77/95/1314617795.db2.gz IBSIJESJOYQKHX-IRXDYDNUSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)CCN1 ZINC001246385258 1314620465 /nfs/dbraw/zinc/62/04/65/1314620465.db2.gz DFKITFMSPAVIIX-HJWJTTGWSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4c(cccc4F)C3=O)CC2)CCN1 ZINC001246392719 1314621697 /nfs/dbraw/zinc/62/16/97/1314621697.db2.gz IJTVMTMOOLUQGI-KLHDSHLOSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4cc(F)ccc4C3=O)CC2)CCN1 ZINC001246394036 1314623020 /nfs/dbraw/zinc/62/30/20/1314623020.db2.gz LJTDHLUMKFIFFS-NKGKWGDASA-N 1 3 345.462 2.823 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246404896 1314624367 /nfs/dbraw/zinc/62/43/67/1314624367.db2.gz ITJGPPDNYFVBHR-BBWFWOEESA-N 1 3 341.503 2.755 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246404897 1314624409 /nfs/dbraw/zinc/62/44/09/1314624409.db2.gz ITJGPPDNYFVBHR-BRWVUGGUSA-N 1 3 341.503 2.755 20 0 EFADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1cccc(Cl)c1 ZINC001246407992 1314624885 /nfs/dbraw/zinc/62/48/85/1314624885.db2.gz WTYJZSIDPUWDIN-WKILWMFISA-N 1 3 335.879 2.723 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@@H]2CCCCNC2)C1 ZINC001246406857 1314625193 /nfs/dbraw/zinc/62/51/93/1314625193.db2.gz PYTARKWKUOMMCS-IAGOWNOFSA-N 1 3 341.503 2.757 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246409503 1314626259 /nfs/dbraw/zinc/62/62/59/1314626259.db2.gz ZWRMRTDXNIZOJQ-RDJZCZTQSA-N 1 3 339.487 2.576 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020144026 1314631272 /nfs/dbraw/zinc/63/12/72/1314631272.db2.gz OGNOYPJIHDGSRP-BZSNNMDCSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)(C)[C@H](CN1CCOCC1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246486473 1314635979 /nfs/dbraw/zinc/63/59/79/1314635979.db2.gz BVHVINILJIZNLA-MSOLQXFVSA-N 1 3 337.552 2.778 20 0 EFADHO CC(C)(C)[C@@H](CN1CCOCC1)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246486478 1314636326 /nfs/dbraw/zinc/63/63/26/1314636326.db2.gz BVHVINILJIZNLA-QZTJIDSGSA-N 1 3 337.552 2.778 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)N3CCCCC3)C2)cc1 ZINC001020151114 1314637379 /nfs/dbraw/zinc/63/73/79/1314637379.db2.gz LRGVQKCHTJTDBQ-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4c(F)cc(F)cc4C3)CC2)NC1 ZINC001246497788 1314637461 /nfs/dbraw/zinc/63/74/61/1314637461.db2.gz XWAAQXMTOUMDIY-QGZVFWFLSA-N 1 3 345.437 2.864 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3Cc4ccc(Cl)cc4C3)CC2)NC1 ZINC001246494805 1314638084 /nfs/dbraw/zinc/63/80/84/1314638084.db2.gz LMFUJOSHQNURTQ-SFHVURJKSA-N 1 3 329.875 2.849 20 0 EFADHO C[C@]1([NH3+])CCN([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246531738 1314642781 /nfs/dbraw/zinc/64/27/81/1314642781.db2.gz SRAUXUJZARBUKW-HUUJSLGLSA-N 1 3 341.499 2.741 20 0 EFADHO C[C@H](Cc1ccccc1Br)N1CCC[C@](O)(C[NH3+])CC1 ZINC001246543699 1314644596 /nfs/dbraw/zinc/64/45/96/1314644596.db2.gz NKKSIXRKBCEZIR-CZUORRHYSA-N 1 3 341.293 2.556 20 0 EFADHO C[C@@]1(CN)CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587938 1314651935 /nfs/dbraw/zinc/65/19/35/1314651935.db2.gz WXVAXXBRKQBRNP-QUCCMNQESA-N 1 3 329.488 2.742 20 0 EFADHO C[C@@]1(CN)CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587938 1314651941 /nfs/dbraw/zinc/65/19/41/1314651941.db2.gz WXVAXXBRKQBRNP-QUCCMNQESA-N 1 3 329.488 2.742 20 0 EFADHO N[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@H]1F ZINC001246583622 1314652381 /nfs/dbraw/zinc/65/23/81/1314652381.db2.gz HXYXHSQTEYDYQO-MFKWGIFDSA-N 1 3 331.479 2.943 20 0 EFADHO N[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@@H]1F ZINC001246583622 1314652384 /nfs/dbraw/zinc/65/23/84/1314652384.db2.gz HXYXHSQTEYDYQO-MFKWGIFDSA-N 1 3 331.479 2.943 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](C)CC(C)(C)SC)C[C@@H]1CNCCC2 ZINC001246594689 1314654684 /nfs/dbraw/zinc/65/46/84/1314654684.db2.gz KTDBAJPVQASWFY-VKJFTORMSA-N 1 3 342.549 2.771 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@H](C)CC(C)(C)SC)C[C@@H]1CNCCC2 ZINC001246594689 1314654688 /nfs/dbraw/zinc/65/46/88/1314654688.db2.gz KTDBAJPVQASWFY-VKJFTORMSA-N 1 3 342.549 2.771 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001246609819 1314656180 /nfs/dbraw/zinc/65/61/80/1314656180.db2.gz NXLVQFAJAXJUMD-OXJNMPFZSA-N 1 3 330.472 2.870 20 0 EFADHO COC(=O)c1ccc(C[C@H](C)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246607432 1314656189 /nfs/dbraw/zinc/65/61/89/1314656189.db2.gz DSXDNNUPXRKJEI-JXFKEZNVSA-N 1 3 330.472 2.870 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246609923 1314657568 /nfs/dbraw/zinc/65/75/68/1314657568.db2.gz KMCXMCXQDNNNCL-HECZYDGTSA-N 1 3 334.504 2.964 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246609923 1314657572 /nfs/dbraw/zinc/65/75/72/1314657572.db2.gz KMCXMCXQDNNNCL-HECZYDGTSA-N 1 3 334.504 2.964 20 0 EFADHO c1ccc2c(c1)CCC21CCC(N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001246621074 1314658005 /nfs/dbraw/zinc/65/80/05/1314658005.db2.gz DAEPOWORXBQADC-KJJOEJEFSA-N 1 3 326.484 2.733 20 0 EFADHO CCCCCC1CCC([N@@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001246626558 1314659596 /nfs/dbraw/zinc/65/95/96/1314659596.db2.gz JRPONUJDTNEKLK-LBXVMSDZSA-N 1 3 333.520 2.537 20 0 EFADHO CCCCCC1CCC([N@H+]2CC3(CNC3)[C@]3(CCNC3=O)C2)CC1 ZINC001246626558 1314659599 /nfs/dbraw/zinc/65/95/99/1314659599.db2.gz JRPONUJDTNEKLK-LBXVMSDZSA-N 1 3 333.520 2.537 20 0 EFADHO C[C@H](Cc1c(F)cccc1Cl)N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001246633769 1314661670 /nfs/dbraw/zinc/66/16/70/1314661670.db2.gz MISNZSJTMYWYSH-PBFPGSCMSA-N 1 3 326.843 2.720 20 0 EFADHO COC(=O)[C@@H]1CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001246677740 1314669003 /nfs/dbraw/zinc/66/90/03/1314669003.db2.gz NCZSIBBZIBWBLS-RDGPPVDQSA-N 1 3 330.472 2.999 20 0 EFADHO CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCNC3(CCC3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674497 1314669252 /nfs/dbraw/zinc/66/92/52/1314669252.db2.gz UKDLYRZGKUENSK-TVFCKZIOSA-N 1 3 334.504 2.962 20 0 EFADHO CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCNC3(CCC3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674497 1314669257 /nfs/dbraw/zinc/66/92/57/1314669257.db2.gz UKDLYRZGKUENSK-TVFCKZIOSA-N 1 3 334.504 2.962 20 0 EFADHO Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001246682495 1314669878 /nfs/dbraw/zinc/66/98/78/1314669878.db2.gz DFYLMDCAVNGSPU-DODZYUBVSA-N 1 3 332.513 2.928 20 0 EFADHO Cc1ccc(SC[C@H](C)[N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001246682495 1314669882 /nfs/dbraw/zinc/66/98/82/1314669882.db2.gz DFYLMDCAVNGSPU-DODZYUBVSA-N 1 3 332.513 2.928 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020213920 1314671355 /nfs/dbraw/zinc/67/13/55/1314671355.db2.gz ASCWKSGCSYFHJB-BQFCYCMXSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020213920 1314671362 /nfs/dbraw/zinc/67/13/62/1314671362.db2.gz ASCWKSGCSYFHJB-BQFCYCMXSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020213921 1314671696 /nfs/dbraw/zinc/67/16/96/1314671696.db2.gz ASCWKSGCSYFHJB-JFIYKMOQSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020213921 1314671698 /nfs/dbraw/zinc/67/16/98/1314671698.db2.gz ASCWKSGCSYFHJB-JFIYKMOQSA-N 1 3 349.906 2.951 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1 ZINC001246692899 1314671766 /nfs/dbraw/zinc/67/17/66/1314671766.db2.gz PGEYVUAJKPZTBU-QKYXUNIQSA-N 1 3 348.462 2.818 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1 ZINC001246692899 1314671770 /nfs/dbraw/zinc/67/17/70/1314671770.db2.gz PGEYVUAJKPZTBU-QKYXUNIQSA-N 1 3 348.462 2.818 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CCN1 ZINC001246715858 1314674981 /nfs/dbraw/zinc/67/49/81/1314674981.db2.gz DERXOJHHAVFCCK-HKUYNNGSSA-N 1 3 341.499 2.755 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CC[NH2+]1 ZINC001246715858 1314674985 /nfs/dbraw/zinc/67/49/85/1314674985.db2.gz DERXOJHHAVFCCK-HKUYNNGSSA-N 1 3 341.499 2.755 20 0 EFADHO CC[C@H]1[N@@H+]([C@@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720553 1314675506 /nfs/dbraw/zinc/67/55/06/1314675506.db2.gz IOVXLPGYJJONKC-UIXUWTQFSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H]1[N@H+]([C@@H]2CCN[C@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720553 1314675509 /nfs/dbraw/zinc/67/55/09/1314675509.db2.gz IOVXLPGYJJONKC-UIXUWTQFSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H]1[N@@H+]([C@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720548 1314675852 /nfs/dbraw/zinc/67/58/52/1314675852.db2.gz IOVXLPGYJJONKC-BOLBYERCSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H]1[N@H+]([C@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720548 1314675856 /nfs/dbraw/zinc/67/58/56/1314675856.db2.gz IOVXLPGYJJONKC-BOLBYERCSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759754 1314677387 /nfs/dbraw/zinc/67/73/87/1314677387.db2.gz ONXDALMUWWSAOQ-DPPMAADESA-N 1 3 345.462 2.863 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759754 1314677390 /nfs/dbraw/zinc/67/73/90/1314677390.db2.gz ONXDALMUWWSAOQ-DPPMAADESA-N 1 3 345.462 2.863 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246754993 1314677446 /nfs/dbraw/zinc/67/74/46/1314677446.db2.gz OYXXCHXQFUUTGT-RANZSIQMSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CCN1 ZINC001246754993 1314677451 /nfs/dbraw/zinc/67/74/51/1314677451.db2.gz OYXXCHXQFUUTGT-RANZSIQMSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246768942 1314678667 /nfs/dbraw/zinc/67/86/67/1314678667.db2.gz VUBBXMGJDKZQKY-BIENJYKASA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768942 1314678672 /nfs/dbraw/zinc/67/86/72/1314678672.db2.gz VUBBXMGJDKZQKY-BIENJYKASA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768942 1314678676 /nfs/dbraw/zinc/67/86/76/1314678676.db2.gz VUBBXMGJDKZQKY-BIENJYKASA-N 1 3 349.425 2.534 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C4C[C@@H](C)[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246775452 1314680239 /nfs/dbraw/zinc/68/02/39/1314680239.db2.gz GRYDHBIRDQXXLE-CBGDNZLLSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+](C4C[C@@H](C)N[C@H](C)C4)C3)CC2=O)cc1 ZINC001246775452 1314680243 /nfs/dbraw/zinc/68/02/43/1314680243.db2.gz GRYDHBIRDQXXLE-CBGDNZLLSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+](C4C[C@@H](C)N[C@H](C)C4)C3)CC2=O)cc1 ZINC001246775452 1314680249 /nfs/dbraw/zinc/68/02/49/1314680249.db2.gz GRYDHBIRDQXXLE-CBGDNZLLSA-N 1 3 341.499 2.953 20 0 EFADHO Brc1cccc([C@H]2CN([C@H]3CCC[NH2+]CC3)CCN2)c1 ZINC001246803359 1314684743 /nfs/dbraw/zinc/68/47/43/1314684743.db2.gz CAVVYJMVXXGRMA-JKSUJKDBSA-N 1 3 338.293 2.538 20 0 EFADHO Brc1cccc([C@@H]2CN([C@@H]3CCC[NH2+]CC3)CCN2)c1 ZINC001246803355 1314684880 /nfs/dbraw/zinc/68/48/80/1314684880.db2.gz CAVVYJMVXXGRMA-CVEARBPZSA-N 1 3 338.293 2.538 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246811069 1314688057 /nfs/dbraw/zinc/68/80/57/1314688057.db2.gz RDRQBQXVWAIETP-CEXWTWQISA-N 1 3 330.472 2.625 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246811069 1314688058 /nfs/dbraw/zinc/68/80/58/1314688058.db2.gz RDRQBQXVWAIETP-CEXWTWQISA-N 1 3 330.472 2.625 20 0 EFADHO c1ccc2c(c1)CCC[C@H]2N1CCN([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873096 1314699927 /nfs/dbraw/zinc/69/99/27/1314699927.db2.gz DJFDAJDABSLVED-XODKDNOYSA-N 1 3 325.500 2.965 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246873519 1314700038 /nfs/dbraw/zinc/70/00/38/1314700038.db2.gz SLLOVNAQBQPGRF-LRDDRELGSA-N 1 3 325.859 2.517 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246886824 1314702775 /nfs/dbraw/zinc/70/27/75/1314702775.db2.gz LIWRYONQVUCMHR-CQSZACIVSA-N 1 3 339.886 2.780 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCNC(C)(C)C1 ZINC001246891157 1314703811 /nfs/dbraw/zinc/70/38/11/1314703811.db2.gz NKLYOHSHPZMCOE-HOTGVXAUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCNC(C)(C)C1 ZINC001246891157 1314703815 /nfs/dbraw/zinc/70/38/15/1314703815.db2.gz NKLYOHSHPZMCOE-HOTGVXAUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246891157 1314703819 /nfs/dbraw/zinc/70/38/19/1314703819.db2.gz NKLYOHSHPZMCOE-HOTGVXAUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889497 1314704145 /nfs/dbraw/zinc/70/41/45/1314704145.db2.gz FBGQWPZZUFBKQM-XDNAFOTISA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889497 1314704147 /nfs/dbraw/zinc/70/41/47/1314704147.db2.gz FBGQWPZZUFBKQM-XDNAFOTISA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889497 1314704151 /nfs/dbraw/zinc/70/41/51/1314704151.db2.gz FBGQWPZZUFBKQM-XDNAFOTISA-N 1 3 340.508 2.730 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001020288748 1314711131 /nfs/dbraw/zinc/71/11/31/1314711131.db2.gz IOJVPAWYNBPIRE-LSTDLKDCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001020288748 1314711135 /nfs/dbraw/zinc/71/11/35/1314711135.db2.gz IOJVPAWYNBPIRE-LSTDLKDCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001053098967 1314713427 /nfs/dbraw/zinc/71/34/27/1314713427.db2.gz RLCPILIXAGLRSW-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001053098967 1314713431 /nfs/dbraw/zinc/71/34/31/1314713431.db2.gz RLCPILIXAGLRSW-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO CCOCCN(C1CC[NH2+]CC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951041 1314713815 /nfs/dbraw/zinc/71/38/15/1314713815.db2.gz RNYOJTODSMDDTA-KRWDZBQOSA-N 1 3 338.442 2.913 20 0 EFADHO CCOCC[N@H+](C1CCNCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951041 1314713821 /nfs/dbraw/zinc/71/38/21/1314713821.db2.gz RNYOJTODSMDDTA-KRWDZBQOSA-N 1 3 338.442 2.913 20 0 EFADHO CCOCC[N@@H+](C1CCNCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951041 1314713825 /nfs/dbraw/zinc/71/38/25/1314713825.db2.gz RNYOJTODSMDDTA-KRWDZBQOSA-N 1 3 338.442 2.913 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214610902 1314715333 /nfs/dbraw/zinc/71/53/33/1314715333.db2.gz HHJOKMXSLZDANN-MCIONIFRSA-N 1 3 348.318 2.615 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214610902 1314715338 /nfs/dbraw/zinc/71/53/38/1314715338.db2.gz HHJOKMXSLZDANN-MCIONIFRSA-N 1 3 348.318 2.615 20 0 EFADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCNC[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246985220 1314723857 /nfs/dbraw/zinc/72/38/57/1314723857.db2.gz AYLFSWBIZACTSN-CWRNSKLLSA-N 1 3 345.384 2.763 20 0 EFADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001247000472 1314728055 /nfs/dbraw/zinc/72/80/55/1314728055.db2.gz NCZSIBBZIBWBLS-OKYOBFRVSA-N 1 3 330.472 2.999 20 0 EFADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001247000470 1314728613 /nfs/dbraw/zinc/72/86/13/1314728613.db2.gz NCZSIBBZIBWBLS-HCXYKTFWSA-N 1 3 330.472 2.999 20 0 EFADHO COc1ccc([C@@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@@H]4C3)CCO2)cc1 ZINC001247012161 1314731057 /nfs/dbraw/zinc/73/10/57/1314731057.db2.gz CGHMPUJZTFDOMK-LFGUQSLTSA-N 1 3 330.472 2.989 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247013240 1314731151 /nfs/dbraw/zinc/73/11/51/1314731151.db2.gz GISKDBFUHZKGBS-HSALFYBXSA-N 1 3 341.499 2.755 20 0 EFADHO CC1(C)NC[C@@H](c2nc3c(cccc3F)n2CC2CC[NH2+]CC2)O1 ZINC001247032725 1314732962 /nfs/dbraw/zinc/73/29/62/1314732962.db2.gz YKPZYNZOXPUQMD-HNNXBMFYSA-N 1 3 332.423 2.572 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001214952982 1314762229 /nfs/dbraw/zinc/76/22/29/1314762229.db2.gz VHVFLUJCIDLZSH-MISYRCLQSA-N 1 3 345.531 2.704 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001214998109 1314767264 /nfs/dbraw/zinc/76/72/64/1314767264.db2.gz RHPMQFGTPPCMPY-IEBWSBKVSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001215474200 1314839883 /nfs/dbraw/zinc/83/98/83/1314839883.db2.gz MUVVPHHPHHUZRA-MISYRCLQSA-N 1 3 345.531 2.642 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001215539944 1314848010 /nfs/dbraw/zinc/84/80/10/1314848010.db2.gz FBTBYUFEOPXOCF-QWFCFKBJSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1)N(C)C ZINC001215571291 1314852575 /nfs/dbraw/zinc/85/25/75/1314852575.db2.gz JCCHURAWAOQBPY-LUOIFRJISA-N 1 3 343.515 2.867 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001276725938 1314856142 /nfs/dbraw/zinc/85/61/42/1314856142.db2.gz GXTWCOTYGXGNHI-HXUWFJFHSA-N 1 3 333.495 2.718 20 0 EFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001276725938 1314856146 /nfs/dbraw/zinc/85/61/46/1314856146.db2.gz GXTWCOTYGXGNHI-HXUWFJFHSA-N 1 3 333.495 2.718 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC001247892567 1314862357 /nfs/dbraw/zinc/86/23/57/1314862357.db2.gz AQKFGMGGSCMDJA-ZACQAIPSSA-N 1 3 326.444 2.901 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038339415 1314872114 /nfs/dbraw/zinc/87/21/14/1314872114.db2.gz HBOWDBFJGWNGTB-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCC2)C1 ZINC001038339415 1314872118 /nfs/dbraw/zinc/87/21/18/1314872118.db2.gz HBOWDBFJGWNGTB-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038339410 1314873024 /nfs/dbraw/zinc/87/30/24/1314873024.db2.gz HBOWDBFJGWNGTB-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038339410 1314873028 /nfs/dbraw/zinc/87/30/28/1314873028.db2.gz HBOWDBFJGWNGTB-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001038393569 1314903472 /nfs/dbraw/zinc/90/34/72/1314903472.db2.gz IKMHRURYRZPFCK-SFHVURJKSA-N 1 3 333.520 2.633 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001038411812 1314914200 /nfs/dbraw/zinc/91/42/00/1314914200.db2.gz USMAPOZOIPWHTK-ICSRJNTNSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001038411812 1314914202 /nfs/dbraw/zinc/91/42/02/1314914202.db2.gz USMAPOZOIPWHTK-ICSRJNTNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466207 1314951559 /nfs/dbraw/zinc/95/15/59/1314951559.db2.gz RJTMDMHZBGWVHK-QAPCUYQASA-N 1 3 334.423 2.900 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466207 1314951561 /nfs/dbraw/zinc/95/15/61/1314951561.db2.gz RJTMDMHZBGWVHK-QAPCUYQASA-N 1 3 334.423 2.900 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466210 1314951623 /nfs/dbraw/zinc/95/16/23/1314951623.db2.gz RJTMDMHZBGWVHK-YJBOKZPZSA-N 1 3 334.423 2.900 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466210 1314951626 /nfs/dbraw/zinc/95/16/26/1314951626.db2.gz RJTMDMHZBGWVHK-YJBOKZPZSA-N 1 3 334.423 2.900 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001216510928 1314963992 /nfs/dbraw/zinc/96/39/92/1314963992.db2.gz DVMGWCCMVOFUCO-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(Cc3n[nH]c4cc(C(F)(F)F)ccc43)C[C@@H]2C1 ZINC001248845614 1314983940 /nfs/dbraw/zinc/98/39/40/1314983940.db2.gz RQJXJRVMYJIOAW-NEPJUHHUSA-N 1 3 338.377 2.965 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(Cc3n[nH]c4cc(C(F)(F)F)ccc43)C[C@@H]2C1 ZINC001248845614 1314983944 /nfs/dbraw/zinc/98/39/44/1314983944.db2.gz RQJXJRVMYJIOAW-NEPJUHHUSA-N 1 3 338.377 2.965 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001216845125 1315014552 /nfs/dbraw/zinc/01/45/52/1315014552.db2.gz YDZIQGXQACJXRH-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842651 1315014717 /nfs/dbraw/zinc/01/47/17/1315014717.db2.gz JKWSOVDWCANDOU-UWWQBHOKSA-N 1 3 335.467 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001216854005 1315015501 /nfs/dbraw/zinc/01/55/01/1315015501.db2.gz PYRQZXDOUPDMDM-RVKKMQEKSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001216851886 1315015889 /nfs/dbraw/zinc/01/58/89/1315015889.db2.gz KCXPEUKPTDRTOE-SJLPKXTDSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001216852410 1315016100 /nfs/dbraw/zinc/01/61/00/1315016100.db2.gz YPMBZRIHOSIOPT-SJLPKXTDSA-N 1 3 337.552 2.980 20 0 EFADHO CN(C)Cc1ccc(-c2noc(C3(C4CC4)CC[NH2+]CC3)n2)cc1 ZINC001249147512 1315025600 /nfs/dbraw/zinc/02/56/00/1315025600.db2.gz HRQYNWMQYFSBCC-UHFFFAOYSA-N 1 3 326.444 2.829 20 0 EFADHO Clc1cncc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276753963 1315054480 /nfs/dbraw/zinc/05/44/80/1315054480.db2.gz BOZGBWCKPPBLFR-CALCHBBNSA-N 1 3 345.878 2.802 20 0 EFADHO Clc1cncc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276753963 1315054482 /nfs/dbraw/zinc/05/44/82/1315054482.db2.gz BOZGBWCKPPBLFR-CALCHBBNSA-N 1 3 345.878 2.802 20 0 EFADHO Cc1ccc(C)c([C@H](C)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001038672524 1315084825 /nfs/dbraw/zinc/08/48/25/1315084825.db2.gz XRZNHEGDFNVKOP-HKUYNNGSSA-N 1 3 343.515 2.897 20 0 EFADHO CN1CCC[C@@H](Oc2nc(-c3ccccc3)cn2C2CC[NH2+]CC2)C1 ZINC001218194778 1315162038 /nfs/dbraw/zinc/16/20/38/1315162038.db2.gz WYBJZBUFIHLXCE-GOSISDBHSA-N 1 3 340.471 2.948 20 0 EFADHO CC(C)n1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001276776229 1315163826 /nfs/dbraw/zinc/16/38/26/1315163826.db2.gz ARBOUWODXJEFAC-MOPGFXCFSA-N 1 3 333.524 2.550 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276777056 1315166792 /nfs/dbraw/zinc/16/67/92/1315166792.db2.gz NWXCXGKQCFTZEG-OALUTQOASA-N 1 3 331.504 2.684 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276777056 1315166794 /nfs/dbraw/zinc/16/67/94/1315166794.db2.gz NWXCXGKQCFTZEG-OALUTQOASA-N 1 3 331.504 2.684 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)nc1)C2 ZINC001276783009 1315185553 /nfs/dbraw/zinc/18/55/53/1315185553.db2.gz LCWLMVKTYLOPSD-GOSISDBHSA-N 1 3 336.911 2.585 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050002 1315222901 /nfs/dbraw/zinc/22/29/01/1315222901.db2.gz PLGHNWIZUAGSSW-XKGZKEIXSA-N 1 3 343.515 2.670 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050002 1315222905 /nfs/dbraw/zinc/22/29/05/1315222905.db2.gz PLGHNWIZUAGSSW-XKGZKEIXSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(Oc2ccccc2)ncc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218682061 1315230398 /nfs/dbraw/zinc/23/03/98/1315230398.db2.gz LHEGCQYRFMCHOW-HNNXBMFYSA-N 1 3 328.416 2.577 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cnc2c(cccc2C(F)(F)F)c1 ZINC001218706563 1315233307 /nfs/dbraw/zinc/23/33/07/1315233307.db2.gz IGROQHXLJIUAIA-ZDUSSCGKSA-N 1 3 340.349 2.648 20 0 EFADHO COC(=O)c1cc(Cl)cc(CN2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)c1 ZINC001276795474 1315241273 /nfs/dbraw/zinc/24/12/73/1315241273.db2.gz DZWCGGSQEARHAP-GASCZTMLSA-N 1 3 336.863 2.900 20 0 EFADHO COC(=O)c1cc(Cl)cc(CN2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)c1 ZINC001276795474 1315241276 /nfs/dbraw/zinc/24/12/76/1315241276.db2.gz DZWCGGSQEARHAP-GASCZTMLSA-N 1 3 336.863 2.900 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250682016 1315241695 /nfs/dbraw/zinc/24/16/95/1315241695.db2.gz NVPKTOWHQGWRNS-KRWDZBQOSA-N 1 3 340.895 2.791 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC001218846020 1315249401 /nfs/dbraw/zinc/24/94/01/1315249401.db2.gz UPLVQOXZCMOZSL-IBGZPJMESA-N 1 3 340.471 2.670 20 0 EFADHO Cc1ccc2cccnc2c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218847302 1315250037 /nfs/dbraw/zinc/25/00/37/1315250037.db2.gz GZQLWSSEPRLJAB-INIZCTEOSA-N 1 3 328.460 2.977 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC001218848415 1315250348 /nfs/dbraw/zinc/25/03/48/1315250348.db2.gz XXNCPOYVGQZIRX-CQSZACIVSA-N 1 3 340.452 2.968 20 0 EFADHO Cc1cccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c1Br ZINC001218905381 1315257769 /nfs/dbraw/zinc/25/77/69/1315257769.db2.gz DVUKKMZWOQGTFY-LBPRGKRZSA-N 1 3 342.281 2.755 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001250763613 1315260414 /nfs/dbraw/zinc/26/04/14/1315260414.db2.gz MNGABCSDMBSFHJ-AZUAARDMSA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001250763613 1315260418 /nfs/dbraw/zinc/26/04/18/1315260418.db2.gz MNGABCSDMBSFHJ-AZUAARDMSA-N 1 3 332.488 2.577 20 0 EFADHO O=C(Nc1ccc2[nH]c(-c3ccccc3)cc2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218989143 1315269127 /nfs/dbraw/zinc/26/91/27/1315269127.db2.gz SARVLZFWMRTRRT-KRWDZBQOSA-N 1 3 346.434 2.582 20 0 EFADHO [NH3+][C@H](CC(=O)Nc1cccc2c1CNC2)Cc1c[nH]c2ccccc12 ZINC001218994223 1315269613 /nfs/dbraw/zinc/26/96/13/1315269613.db2.gz FRLIRSJHIARHKR-HNNXBMFYSA-N 1 3 334.423 2.670 20 0 EFADHO C[NH+](C)CCc1ccc(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)cc1 ZINC001219022929 1315273427 /nfs/dbraw/zinc/27/34/27/1315273427.db2.gz ZSROHUOYTDQBAG-FQEVSTJZSA-N 1 3 343.446 2.828 20 0 EFADHO O=C(NC[C@@H]1CCN1CCCC1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038906559 1315284517 /nfs/dbraw/zinc/28/45/17/1315284517.db2.gz ZLTLGVKOGPKFHM-FQEVSTJZSA-N 1 3 347.547 2.879 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccc2ccc(-c3ccccc3)nc21 ZINC001219220849 1315292655 /nfs/dbraw/zinc/29/26/55/1315292655.db2.gz OCNYFGUWQNGWFH-INIZCTEOSA-N 1 3 334.423 2.907 20 0 EFADHO CC(C)c1ccc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C(F)(F)F)c1 ZINC001219266500 1315295414 /nfs/dbraw/zinc/29/54/14/1315295414.db2.gz LHYXPYZZSFBAHZ-CYBMUJFWSA-N 1 3 341.377 2.576 20 0 EFADHO Cc1ccc(C)c([C@H](C)N2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038919333 1315295589 /nfs/dbraw/zinc/29/55/89/1315295589.db2.gz IRAJSFBKJYHUAX-ZWKOTPCHSA-N 1 3 341.499 2.651 20 0 EFADHO N[C@H](C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1)C1CCCCC1 ZINC001219287949 1315297794 /nfs/dbraw/zinc/29/77/94/1315297794.db2.gz GFTVXJZJPHJJTE-KRWDZBQOSA-N 1 3 348.466 2.599 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccc2F)CC1)C(F)(F)F ZINC001250993326 1315308055 /nfs/dbraw/zinc/30/80/55/1315308055.db2.gz SDOXUYYSJFEXLN-HNNXBMFYSA-N 1 3 334.357 2.551 20 0 EFADHO Cc1cc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)ccn1 ZINC001276805995 1315323430 /nfs/dbraw/zinc/32/34/30/1315323430.db2.gz FTWMDKBJXNGFEE-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)ccn1 ZINC001276805995 1315323435 /nfs/dbraw/zinc/32/34/35/1315323435.db2.gz FTWMDKBJXNGFEE-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Clc1ncccc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276806693 1315330129 /nfs/dbraw/zinc/33/01/29/1315330129.db2.gz RVFPIMMOYKZKQQ-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO Clc1ncccc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276806693 1315330132 /nfs/dbraw/zinc/33/01/32/1315330132.db2.gz RVFPIMMOYKZKQQ-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128963 1315336965 /nfs/dbraw/zinc/33/69/65/1315336965.db2.gz HLAJPDQWNIUIAE-ICSRJNTNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128963 1315336970 /nfs/dbraw/zinc/33/69/70/1315336970.db2.gz HLAJPDQWNIUIAE-ICSRJNTNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054129168 1315337373 /nfs/dbraw/zinc/33/73/73/1315337373.db2.gz LYVZWECLTZHOHI-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054129168 1315337378 /nfs/dbraw/zinc/33/73/78/1315337378.db2.gz LYVZWECLTZHOHI-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054128871 1315337687 /nfs/dbraw/zinc/33/76/87/1315337687.db2.gz GAFCFDRHLJRYHK-PKOBYXMFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054128871 1315337690 /nfs/dbraw/zinc/33/76/90/1315337690.db2.gz GAFCFDRHLJRYHK-PKOBYXMFSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129538 1315338952 /nfs/dbraw/zinc/33/89/52/1315338952.db2.gz SYRHKEOAHICRHY-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054129538 1315338957 /nfs/dbraw/zinc/33/89/57/1315338957.db2.gz SYRHKEOAHICRHY-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132191 1315341218 /nfs/dbraw/zinc/34/12/18/1315341218.db2.gz BBDAEQORUKQQOS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132191 1315341222 /nfs/dbraw/zinc/34/12/22/1315341222.db2.gz BBDAEQORUKQQOS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO N[C@H](CC(=O)NC[C@@]1(F)CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001219767740 1315344068 /nfs/dbraw/zinc/34/40/68/1315344068.db2.gz DFYWPILNISJLNJ-UKRRQHHQSA-N 1 3 348.249 2.591 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NCCC[NH2+]C2CCCCC2)c(C)c1 ZINC001219952686 1315358868 /nfs/dbraw/zinc/35/88/68/1315358868.db2.gz ZVRDDCQCQVIRGB-IBGZPJMESA-N 1 3 331.504 2.602 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)CCC1 ZINC001054142512 1315359618 /nfs/dbraw/zinc/35/96/18/1315359618.db2.gz DVTROTOUYWLPDN-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)CCC1 ZINC001054142512 1315359622 /nfs/dbraw/zinc/35/96/22/1315359622.db2.gz DVTROTOUYWLPDN-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144704 1315362226 /nfs/dbraw/zinc/36/22/26/1315362226.db2.gz CDNKMIFCMFTQTA-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144704 1315362229 /nfs/dbraw/zinc/36/22/29/1315362229.db2.gz CDNKMIFCMFTQTA-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001054145453 1315363638 /nfs/dbraw/zinc/36/36/38/1315363638.db2.gz QIUPLSBLBIKDQX-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001054145453 1315363641 /nfs/dbraw/zinc/36/36/41/1315363641.db2.gz QIUPLSBLBIKDQX-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145148 1315363682 /nfs/dbraw/zinc/36/36/82/1315363682.db2.gz LDENUBNXTMEDHA-HXUWFJFHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145148 1315363687 /nfs/dbraw/zinc/36/36/87/1315363687.db2.gz LDENUBNXTMEDHA-HXUWFJFHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220030374 1315365707 /nfs/dbraw/zinc/36/57/07/1315365707.db2.gz DREQPSFDASEFJI-QZTJIDSGSA-N 1 3 329.488 2.764 20 0 EFADHO CC(C)C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220030374 1315365712 /nfs/dbraw/zinc/36/57/12/1315365712.db2.gz DREQPSFDASEFJI-QZTJIDSGSA-N 1 3 329.488 2.764 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220064251 1315369497 /nfs/dbraw/zinc/36/94/97/1315369497.db2.gz XMDJVRUFJWNVKY-VJRVKHOTSA-N 1 3 347.547 2.911 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220064251 1315369501 /nfs/dbraw/zinc/36/95/01/1315369501.db2.gz XMDJVRUFJWNVKY-VJRVKHOTSA-N 1 3 347.547 2.911 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1)[NH+](C)C ZINC001054148132 1315370032 /nfs/dbraw/zinc/37/00/32/1315370032.db2.gz HJAKJFDVQZFOHB-YKLDRSPPSA-N 1 3 341.927 2.640 20 0 EFADHO CCCC[C@@H](CC)COCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220131464 1315373004 /nfs/dbraw/zinc/37/30/04/1315373004.db2.gz MPARKENEIGEGPU-MSOLQXFVSA-N 1 3 343.556 2.785 20 0 EFADHO CCCC[C@H](CC)COCCCNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220131468 1315373528 /nfs/dbraw/zinc/37/35/28/1315373528.db2.gz MPARKENEIGEGPU-ROUUACIJSA-N 1 3 343.556 2.785 20 0 EFADHO CN[C@H](C(=O)N1CCC[C@@H]([NH3+])c2cc(C)ccc21)[C@@H](C)OC(C)(C)C ZINC001220384510 1315405329 /nfs/dbraw/zinc/40/53/29/1315405329.db2.gz WJLOQORWGJWMDE-KYJSFNMBSA-N 1 3 347.503 2.913 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1cccnc1Cl)C2 ZINC001276813729 1315415835 /nfs/dbraw/zinc/41/58/35/1315415835.db2.gz RZEQRKADBSPKJP-GOSISDBHSA-N 1 3 336.911 2.585 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1)[NH+](C)C ZINC001054191497 1315431813 /nfs/dbraw/zinc/43/18/13/1315431813.db2.gz HJAKJFDVQZFOHB-BTILFOLHSA-N 1 3 341.927 2.640 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054191262 1315431894 /nfs/dbraw/zinc/43/18/94/1315431894.db2.gz DOYYXGAKOPQYJC-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054191262 1315431897 /nfs/dbraw/zinc/43/18/97/1315431897.db2.gz DOYYXGAKOPQYJC-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196424 1315439922 /nfs/dbraw/zinc/43/99/22/1315439922.db2.gz HCIPUOCOVPRDEL-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196424 1315439925 /nfs/dbraw/zinc/43/99/25/1315439925.db2.gz HCIPUOCOVPRDEL-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001054197728 1315442407 /nfs/dbraw/zinc/44/24/07/1315442407.db2.gz HHGCAQVASFLNJB-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001054197728 1315442413 /nfs/dbraw/zinc/44/24/13/1315442413.db2.gz HHGCAQVASFLNJB-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001054204970 1315452553 /nfs/dbraw/zinc/45/25/53/1315452553.db2.gz HJHXVQJNONPHJO-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001054204970 1315452557 /nfs/dbraw/zinc/45/25/57/1315452557.db2.gz HJHXVQJNONPHJO-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209886 1315461818 /nfs/dbraw/zinc/46/18/18/1315461818.db2.gz ZWPXOPRCJVTLTK-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209886 1315461820 /nfs/dbraw/zinc/46/18/20/1315461820.db2.gz ZWPXOPRCJVTLTK-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO [NH3+]CCCCCCCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926661 1315464398 /nfs/dbraw/zinc/46/43/98/1315464398.db2.gz VGNCRGLOVYIALZ-UHFFFAOYSA-N 1 3 346.519 2.709 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1cc2c(s1)CNCC2 ZINC001220917285 1315464533 /nfs/dbraw/zinc/46/45/33/1315464533.db2.gz UPJBTSAXCKELTO-INIZCTEOSA-N 1 3 347.528 2.778 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1cc2c(s1)CNCC2 ZINC001220917285 1315464537 /nfs/dbraw/zinc/46/45/37/1315464537.db2.gz UPJBTSAXCKELTO-INIZCTEOSA-N 1 3 347.528 2.778 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002754 1315470131 /nfs/dbraw/zinc/47/01/31/1315470131.db2.gz XKETVUXLDCUTCA-LNLFQRSKSA-N 1 3 347.478 2.942 20 0 EFADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001221160587 1315487525 /nfs/dbraw/zinc/48/75/25/1315487525.db2.gz WQIQWMKGOZAZPS-SFHVURJKSA-N 1 3 333.520 2.739 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039115674 1315490395 /nfs/dbraw/zinc/49/03/95/1315490395.db2.gz OHHAQNFJJPYKKU-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039115674 1315490400 /nfs/dbraw/zinc/49/04/00/1315490400.db2.gz OHHAQNFJJPYKKU-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C)[PH+](CCCNC(=O)[C@H](N)Cc1c[nH]cn1)C(C)(C)C ZINC001221271350 1315500970 /nfs/dbraw/zinc/50/09/70/1315500970.db2.gz BATXFQAKYYGUFI-CQSZACIVSA-N 1 3 340.452 2.865 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054244427 1315515622 /nfs/dbraw/zinc/51/56/22/1315515622.db2.gz FLRSNQKNNPCUDW-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054244427 1315515627 /nfs/dbraw/zinc/51/56/27/1315515627.db2.gz FLRSNQKNNPCUDW-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134295 1315518051 /nfs/dbraw/zinc/51/80/51/1315518051.db2.gz OKZUOAAJDQMMQO-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134295 1315518053 /nfs/dbraw/zinc/51/80/53/1315518053.db2.gz OKZUOAAJDQMMQO-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134516 1315518141 /nfs/dbraw/zinc/51/81/41/1315518141.db2.gz RALIKYFBWIEOEJ-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134516 1315518146 /nfs/dbraw/zinc/51/81/46/1315518146.db2.gz RALIKYFBWIEOEJ-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039135630 1315520241 /nfs/dbraw/zinc/52/02/41/1315520241.db2.gz HGNFIHBIALJFJM-OQRFJMDLSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039135630 1315520245 /nfs/dbraw/zinc/52/02/45/1315520245.db2.gz HGNFIHBIALJFJM-OQRFJMDLSA-N 1 3 341.927 2.640 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221398891 1315520413 /nfs/dbraw/zinc/52/04/13/1315520413.db2.gz JERQYJHUFZJREO-QHAWAJNXSA-N 1 3 349.478 2.558 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039136487 1315521344 /nfs/dbraw/zinc/52/13/44/1315521344.db2.gz MSWLEOVISYTIJV-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039136487 1315521346 /nfs/dbraw/zinc/52/13/46/1315521346.db2.gz MSWLEOVISYTIJV-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039136488 1315521914 /nfs/dbraw/zinc/52/19/14/1315521914.db2.gz MSWLEOVISYTIJV-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039136488 1315521917 /nfs/dbraw/zinc/52/19/17/1315521917.db2.gz MSWLEOVISYTIJV-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CC[N@H+](CC4CCC4)C3)CC2)CCC1 ZINC001039137745 1315524427 /nfs/dbraw/zinc/52/44/27/1315524427.db2.gz QUANDHPSGSJARP-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CC[N@@H+](CC4CCC4)C3)CC2)CCC1 ZINC001039137745 1315524431 /nfs/dbraw/zinc/52/44/31/1315524431.db2.gz QUANDHPSGSJARP-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)N(C)C ZINC001054297987 1315535491 /nfs/dbraw/zinc/53/54/91/1315535491.db2.gz KXLZGTWAVZIMGB-BZUAXINKSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039153537 1315549177 /nfs/dbraw/zinc/54/91/77/1315549177.db2.gz BBDPGIUCMABYQJ-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039153537 1315549181 /nfs/dbraw/zinc/54/91/81/1315549181.db2.gz BBDPGIUCMABYQJ-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN1CC2(C1)CC[NH+](C)CC2 ZINC001253010405 1315552608 /nfs/dbraw/zinc/55/26/08/1315552608.db2.gz SHJUFGHGMALMAG-MSOLQXFVSA-N 1 3 326.525 2.608 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221588061 1315558634 /nfs/dbraw/zinc/55/86/34/1315558634.db2.gz RKFCCEXCVGDWPP-FGTMMUONSA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)C)C[C@H]21 ZINC001221588061 1315558639 /nfs/dbraw/zinc/55/86/39/1315558639.db2.gz RKFCCEXCVGDWPP-FGTMMUONSA-N 1 3 341.515 2.635 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC001039164191 1315563088 /nfs/dbraw/zinc/56/30/88/1315563088.db2.gz FRRZTTPMHMGVGZ-FQEVSTJZSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC001039164191 1315563094 /nfs/dbraw/zinc/56/30/94/1315563094.db2.gz FRRZTTPMHMGVGZ-FQEVSTJZSA-N 1 3 347.547 2.689 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164406 1315564435 /nfs/dbraw/zinc/56/44/35/1315564435.db2.gz JJXNJJOGDDTWES-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164406 1315564438 /nfs/dbraw/zinc/56/44/38/1315564438.db2.gz JJXNJJOGDDTWES-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165768 1315565778 /nfs/dbraw/zinc/56/57/78/1315565778.db2.gz SJWOKOAQTAGRMO-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165768 1315565781 /nfs/dbraw/zinc/56/57/81/1315565781.db2.gz SJWOKOAQTAGRMO-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631550 1315567560 /nfs/dbraw/zinc/56/75/60/1315567560.db2.gz WUKYHNPPKALKNK-POMXJBLMSA-N 1 3 335.536 2.852 20 0 EFADHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631550 1315567563 /nfs/dbraw/zinc/56/75/63/1315567563.db2.gz WUKYHNPPKALKNK-POMXJBLMSA-N 1 3 335.536 2.852 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054651553 1315567856 /nfs/dbraw/zinc/56/78/56/1315567856.db2.gz YLYYQTDZRPUCRD-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656959 1315572050 /nfs/dbraw/zinc/57/20/50/1315572050.db2.gz CCJZZTZHSLODHZ-AQRBRUGDSA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656959 1315572052 /nfs/dbraw/zinc/57/20/52/1315572052.db2.gz CCJZZTZHSLODHZ-AQRBRUGDSA-N 1 3 335.536 2.996 20 0 EFADHO C[C@](O)(C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC001253122499 1315572307 /nfs/dbraw/zinc/57/23/07/1315572307.db2.gz ODVNGYSNBDVKAA-NRFANRHFSA-N 1 3 339.483 2.791 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054736088 1315572954 /nfs/dbraw/zinc/57/29/54/1315572954.db2.gz LAKVNRWEEVKJMW-QAPCUYQASA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172668 1315576368 /nfs/dbraw/zinc/57/63/68/1315576368.db2.gz BBJMHZFAQNQNJC-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172668 1315576373 /nfs/dbraw/zinc/57/63/73/1315576373.db2.gz BBJMHZFAQNQNJC-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172670 1315576448 /nfs/dbraw/zinc/57/64/48/1315576448.db2.gz BBJMHZFAQNQNJC-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172670 1315576452 /nfs/dbraw/zinc/57/64/52/1315576452.db2.gz BBJMHZFAQNQNJC-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCOCC1 ZINC001253208697 1315580865 /nfs/dbraw/zinc/58/08/65/1315580865.db2.gz ANEWJWLSJWNKTO-RBUKOAKNSA-N 1 3 338.467 2.586 20 0 EFADHO COc1ccccc1CC1(CNC[C@H](O)C[NH2+]C(C)(C)C)CCC1 ZINC001253411392 1315601836 /nfs/dbraw/zinc/60/18/36/1315601836.db2.gz KWWXMPLHMAGRCX-KRWDZBQOSA-N 1 3 334.504 2.747 20 0 EFADHO CC(C)(C)OC[C@@H](O)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001253455350 1315605418 /nfs/dbraw/zinc/60/54/18/1315605418.db2.gz GWNUIIGMVBZKIK-IBGZPJMESA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)(C)OC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001253467956 1315607966 /nfs/dbraw/zinc/60/79/66/1315607966.db2.gz NERJUPMQLLLBSF-YRPNKDGESA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)(C)OC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253467956 1315607972 /nfs/dbraw/zinc/60/79/72/1315607972.db2.gz NERJUPMQLLLBSF-YRPNKDGESA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212448 1315628335 /nfs/dbraw/zinc/62/83/35/1315628335.db2.gz GNDBFKZEOVVYCY-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212448 1315628337 /nfs/dbraw/zinc/62/83/37/1315628337.db2.gz GNDBFKZEOVVYCY-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001039213202 1315629179 /nfs/dbraw/zinc/62/91/79/1315629179.db2.gz ISPSOGDCLVGUFK-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001039213202 1315629182 /nfs/dbraw/zinc/62/91/82/1315629182.db2.gz ISPSOGDCLVGUFK-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001039213203 1315629450 /nfs/dbraw/zinc/62/94/50/1315629450.db2.gz ISPSOGDCLVGUFK-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001039213203 1315629453 /nfs/dbraw/zinc/62/94/53/1315629453.db2.gz ISPSOGDCLVGUFK-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[C@@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001253761959 1315636132 /nfs/dbraw/zinc/63/61/32/1315636132.db2.gz NQRCONNWLLMTLG-IBGZPJMESA-N 1 3 331.504 2.775 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001000192730 1315647910 /nfs/dbraw/zinc/64/79/10/1315647910.db2.gz NDNNKHPRXJGMDP-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001000191830 1315647981 /nfs/dbraw/zinc/64/79/81/1315647981.db2.gz KIGLDSLPFDENDG-LPHOPBHVSA-N 1 3 347.478 2.721 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228680 1315651872 /nfs/dbraw/zinc/65/18/72/1315651872.db2.gz HCDHSPJXIXCNGS-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228680 1315651875 /nfs/dbraw/zinc/65/18/75/1315651875.db2.gz HCDHSPJXIXCNGS-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)Oc1ccccc1OC[C@H](O)CNC(C)(C)CC[NH+](C)C ZINC001254028292 1315666547 /nfs/dbraw/zinc/66/65/47/1315666547.db2.gz UOFFRSXORAKLMT-MRXNPFEDSA-N 1 3 338.492 2.533 20 0 EFADHO OC1(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029953 1315666575 /nfs/dbraw/zinc/66/65/75/1315666575.db2.gz MRKKPTUCICBHLG-WOJBJXKFSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029953 1315666577 /nfs/dbraw/zinc/66/65/77/1315666577.db2.gz MRKKPTUCICBHLG-WOJBJXKFSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[NH+]2CCC3(CCOC3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254029688 1315666709 /nfs/dbraw/zinc/66/67/09/1315666709.db2.gz IQWBYDPIZOYIJE-UHFFFAOYSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038656 1315667588 /nfs/dbraw/zinc/66/75/88/1315667588.db2.gz MRTKENADICSLPB-KRWDZBQOSA-N 1 3 336.426 2.745 20 0 EFADHO OC1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038656 1315667591 /nfs/dbraw/zinc/66/75/91/1315667591.db2.gz MRTKENADICSLPB-KRWDZBQOSA-N 1 3 336.426 2.745 20 0 EFADHO OC1(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037234 1315667819 /nfs/dbraw/zinc/66/78/19/1315667819.db2.gz UKFMSIOKMVIYKB-VQTJNVASSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037234 1315667821 /nfs/dbraw/zinc/66/78/21/1315667821.db2.gz UKFMSIOKMVIYKB-VQTJNVASSA-N 1 3 344.499 2.514 20 0 EFADHO O[C@@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC001254051538 1315669478 /nfs/dbraw/zinc/66/94/78/1315669478.db2.gz QPBLIEPTLMAVNX-FQEVSTJZSA-N 1 3 346.515 2.544 20 0 EFADHO CCN(CC)c1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254164202 1315677092 /nfs/dbraw/zinc/67/70/92/1315677092.db2.gz HIGIOTUBTUBQBL-UHFFFAOYSA-N 1 3 344.507 2.510 20 0 EFADHO C[NH+]1CCC2(CN([C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254206562 1315681670 /nfs/dbraw/zinc/68/16/70/1315681670.db2.gz UZBKHRBUUHEQNK-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@H]3Cc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001254289293 1315691146 /nfs/dbraw/zinc/69/11/46/1315691146.db2.gz SAMVVURFRQGRGV-UXLLHSPISA-N 1 3 335.289 2.800 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc(Br)cc4C3)C[C@@H]2C1 ZINC001254289293 1315691147 /nfs/dbraw/zinc/69/11/47/1315691147.db2.gz SAMVVURFRQGRGV-UXLLHSPISA-N 1 3 335.289 2.800 20 0 EFADHO CN(C)C1CC[NH+]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001254299921 1315692568 /nfs/dbraw/zinc/69/25/68/1315692568.db2.gz MBDCKUGABJTJNM-MRXNPFEDSA-N 1 3 325.497 2.802 20 0 EFADHO CC(=O)N1CCC(N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001254420607 1315702866 /nfs/dbraw/zinc/70/28/66/1315702866.db2.gz NECWJTRBWGDXOW-UHFFFAOYSA-N 1 3 349.906 2.687 20 0 EFADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)(C)C1 ZINC001039298110 1315707255 /nfs/dbraw/zinc/70/72/55/1315707255.db2.gz KRHKGXPOHARITL-AYHJJNSGSA-N 1 3 335.536 2.876 20 0 EFADHO CN1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC001254506001 1315711253 /nfs/dbraw/zinc/71/12/53/1315711253.db2.gz NFYPASDNBDHYOY-GJZGRUSLSA-N 1 3 327.266 2.556 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC3(CCCN3C(=O)c3ccco3)CC2)CC1 ZINC001254520387 1315715731 /nfs/dbraw/zinc/71/57/31/1315715731.db2.gz OBMWNDBBLZEPJX-KRWDZBQOSA-N 1 3 345.487 2.835 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC3(CCCN3C(=O)c3ccco3)CC2)CC1 ZINC001254520387 1315715733 /nfs/dbraw/zinc/71/57/33/1315715733.db2.gz OBMWNDBBLZEPJX-KRWDZBQOSA-N 1 3 345.487 2.835 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001254522172 1315716306 /nfs/dbraw/zinc/71/63/06/1315716306.db2.gz DHDCTPLUXBRAOC-INIZCTEOSA-N 1 3 327.472 2.847 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC3(CC2)CC(=O)Nc2ccccc23)CC1 ZINC001254522172 1315716308 /nfs/dbraw/zinc/71/63/08/1315716308.db2.gz DHDCTPLUXBRAOC-INIZCTEOSA-N 1 3 327.472 2.847 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254523857 1315717636 /nfs/dbraw/zinc/71/76/36/1315717636.db2.gz SATSYBQHZXZMDS-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254523857 1315717637 /nfs/dbraw/zinc/71/76/37/1315717637.db2.gz SATSYBQHZXZMDS-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001254528760 1315719238 /nfs/dbraw/zinc/71/92/38/1315719238.db2.gz ABJXXUWVRFJCOU-HZPDHXFCSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001254528760 1315719241 /nfs/dbraw/zinc/71/92/41/1315719241.db2.gz ABJXXUWVRFJCOU-HZPDHXFCSA-N 1 3 333.451 2.504 20 0 EFADHO C[C@@H](CN)C[NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732556 1315743002 /nfs/dbraw/zinc/74/30/02/1315743002.db2.gz CYWDCOYZWCOKBW-LSDHHAIUSA-N 1 3 325.497 2.741 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH2+]CCCN3CCCC3)C[C@@H]2C1 ZINC001254883404 1315754163 /nfs/dbraw/zinc/75/41/63/1315754163.db2.gz PRGRHALXHQEIQK-FVQHAEBGSA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH2+]CCCN3CCCC3)C[C@@H]2C1 ZINC001254883403 1315754356 /nfs/dbraw/zinc/75/43/56/1315754356.db2.gz PRGRHALXHQEIQK-BJWYYQGGSA-N 1 3 337.508 2.707 20 0 EFADHO O=C1C[C@H]2CC([NH2+]CC3CCN(Cc4ccccn4)CC3)C[C@@H]2C1 ZINC001254936386 1315760500 /nfs/dbraw/zinc/76/05/00/1315760500.db2.gz VCIWYCUXUHNFPW-IAGOWNOFSA-N 1 3 327.472 2.641 20 0 EFADHO COc1cccc(CC2([NH3+])CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)c1 ZINC001254942585 1315762174 /nfs/dbraw/zinc/76/21/74/1315762174.db2.gz XKYASUYQEJGTSQ-PIIMJCKOSA-N 1 3 342.483 2.789 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254965292 1315766830 /nfs/dbraw/zinc/76/68/30/1315766830.db2.gz WIIIYABBLARPKE-OALUTQOASA-N 1 3 349.563 2.874 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001254982467 1315768153 /nfs/dbraw/zinc/76/81/53/1315768153.db2.gz UOXQQPLXDYWNNH-ADHGMGHFSA-N 1 3 349.519 2.658 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001254982467 1315768155 /nfs/dbraw/zinc/76/81/55/1315768155.db2.gz UOXQQPLXDYWNNH-ADHGMGHFSA-N 1 3 349.519 2.658 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415841 1315776460 /nfs/dbraw/zinc/77/64/60/1315776460.db2.gz XULKNKDHKFONJE-MSOLQXFVSA-N 1 3 333.520 2.892 20 0 EFADHO CN(C(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC001255121592 1315778093 /nfs/dbraw/zinc/77/80/93/1315778093.db2.gz DODNDRIGJTYGIR-FNLKRUPLSA-N 1 3 341.499 2.783 20 0 EFADHO CN(C(=O)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001255121592 1315778094 /nfs/dbraw/zinc/77/80/94/1315778094.db2.gz DODNDRIGJTYGIR-FNLKRUPLSA-N 1 3 341.499 2.783 20 0 EFADHO CNC(=O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)(C)C ZINC001255128549 1315779760 /nfs/dbraw/zinc/77/97/60/1315779760.db2.gz DHBNOUJJVNQVQD-AKHDSKFASA-N 1 3 343.515 2.932 20 0 EFADHO CN(CCC1OCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146493 1315782441 /nfs/dbraw/zinc/78/24/41/1315782441.db2.gz HLRUSOPILSTOED-REPLKXPHSA-N 1 3 330.472 2.877 20 0 EFADHO CN(CCC1OCCO1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146493 1315782443 /nfs/dbraw/zinc/78/24/43/1315782443.db2.gz HLRUSOPILSTOED-REPLKXPHSA-N 1 3 330.472 2.877 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148762 1315783296 /nfs/dbraw/zinc/78/32/96/1315783296.db2.gz ZTARPZHSUBHMHJ-REPLKXPHSA-N 1 3 329.488 2.592 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148762 1315783298 /nfs/dbraw/zinc/78/32/98/1315783298.db2.gz ZTARPZHSUBHMHJ-REPLKXPHSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CCCCC2)CC3)C1 ZINC001050663566 1315793498 /nfs/dbraw/zinc/79/34/98/1315793498.db2.gz VHNCQBIKYQUXLP-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](Cc2ccsc2)CC3)C1 ZINC001050663565 1315793789 /nfs/dbraw/zinc/79/37/89/1315793789.db2.gz VFCUEUHOISNLBV-MRXNPFEDSA-N 1 3 347.528 2.514 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039447230 1315797029 /nfs/dbraw/zinc/79/70/29/1315797029.db2.gz FLULTSUKACUSQA-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)N1CCCCCC1 ZINC001039447230 1315797032 /nfs/dbraw/zinc/79/70/32/1315797032.db2.gz FLULTSUKACUSQA-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001039469914 1315814102 /nfs/dbraw/zinc/81/41/02/1315814102.db2.gz MMRYOOHJPWSIPO-AQNXPRMDSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001039469914 1315814104 /nfs/dbraw/zinc/81/41/04/1315814104.db2.gz MMRYOOHJPWSIPO-AQNXPRMDSA-N 1 3 341.499 2.512 20 0 EFADHO O[C@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255393631 1315815104 /nfs/dbraw/zinc/81/51/04/1315815104.db2.gz PPPLUHLTRITUSD-VQTJNVASSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1cccnc1 ZINC001255393631 1315815108 /nfs/dbraw/zinc/81/51/08/1315815108.db2.gz PPPLUHLTRITUSD-VQTJNVASSA-N 1 3 325.456 2.759 20 0 EFADHO COCCn1cncc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255394564 1315816323 /nfs/dbraw/zinc/81/63/23/1315816323.db2.gz VXQKPIYTTRCEHS-LJQANCHMSA-N 1 3 342.487 2.674 20 0 EFADHO NC(=O)c1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)c1 ZINC001255395013 1315816573 /nfs/dbraw/zinc/81/65/73/1315816573.db2.gz XUTQZSLYNZXMHZ-FQEVSTJZSA-N 1 3 337.467 2.930 20 0 EFADHO O[C@@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397214 1315816608 /nfs/dbraw/zinc/81/66/08/1315816608.db2.gz NAYGCFZZOWUQRU-UXHICEINSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397214 1315816610 /nfs/dbraw/zinc/81/66/10/1315816610.db2.gz NAYGCFZZOWUQRU-UXHICEINSA-N 1 3 325.456 2.759 20 0 EFADHO CCOC(=O)[C@H]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403802 1315817308 /nfs/dbraw/zinc/81/73/08/1315817308.db2.gz GXNZYPIGAZNVLL-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO CCOC(=O)[C@H]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403802 1315817311 /nfs/dbraw/zinc/81/73/11/1315817311.db2.gz GXNZYPIGAZNVLL-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)C[C@H]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410358 1315819723 /nfs/dbraw/zinc/81/97/23/1315819723.db2.gz VEXDLJYCLSORTE-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)C[C@H]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410358 1315819727 /nfs/dbraw/zinc/81/97/27/1315819727.db2.gz VEXDLJYCLSORTE-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO CN1CCC[C@@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421703 1315821854 /nfs/dbraw/zinc/82/18/54/1315821854.db2.gz RNKXDXWESKDBRN-IAGOWNOFSA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC[C@@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421703 1315821857 /nfs/dbraw/zinc/82/18/57/1315821857.db2.gz RNKXDXWESKDBRN-IAGOWNOFSA-N 1 3 326.444 2.868 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@H]1CC[N@H+](C)C1)CC2 ZINC001255430645 1315823585 /nfs/dbraw/zinc/82/35/85/1315823585.db2.gz HEAIVGBWRDGOGR-IRXDYDNUSA-N 1 3 349.544 2.508 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@H]1CC[N@@H+](C)C1)CC2 ZINC001255430645 1315823587 /nfs/dbraw/zinc/82/35/87/1315823587.db2.gz HEAIVGBWRDGOGR-IRXDYDNUSA-N 1 3 349.544 2.508 20 0 EFADHO COC(=O)C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001255671606 1315855211 /nfs/dbraw/zinc/85/52/11/1315855211.db2.gz LSYSEPJTFXDOAI-MMNRESRNSA-N 1 3 332.444 2.601 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255682512 1315858123 /nfs/dbraw/zinc/85/81/23/1315858123.db2.gz LWVSAPPDZZCURZ-UJJTZGENSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255682512 1315858127 /nfs/dbraw/zinc/85/81/27/1315858127.db2.gz LWVSAPPDZZCURZ-UJJTZGENSA-N 1 3 345.487 2.949 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001255684397 1315858755 /nfs/dbraw/zinc/85/87/55/1315858755.db2.gz ZFBSILDZIXUNSS-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001255684397 1315858758 /nfs/dbraw/zinc/85/87/58/1315858758.db2.gz ZFBSILDZIXUNSS-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@H](Cc1ccccc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001255852211 1315873346 /nfs/dbraw/zinc/87/33/46/1315873346.db2.gz AIZCIWISLYPYGY-QGZVFWFLSA-N 1 3 333.495 2.716 20 0 EFADHO COc1cccc(OC)c1CN1CCC(n2cccc2C[NH3+])CC1 ZINC001255922746 1315881497 /nfs/dbraw/zinc/88/14/97/1315881497.db2.gz RGCAVJCWSMCAOD-UHFFFAOYSA-N 1 3 329.444 2.801 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940983 1315882558 /nfs/dbraw/zinc/88/25/58/1315882558.db2.gz KPXUZPGOEUNPGS-WCVJEAGWSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940983 1315882561 /nfs/dbraw/zinc/88/25/61/1315882561.db2.gz KPXUZPGOEUNPGS-WCVJEAGWSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255939354 1315882645 /nfs/dbraw/zinc/88/26/45/1315882645.db2.gz CFTSHABCYRWJBQ-MWDXBVQZSA-N 1 3 339.524 2.952 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940982 1315882714 /nfs/dbraw/zinc/88/27/14/1315882714.db2.gz KPXUZPGOEUNPGS-LVQVYYBASA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940982 1315882717 /nfs/dbraw/zinc/88/27/17/1315882717.db2.gz KPXUZPGOEUNPGS-LVQVYYBASA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC001255944653 1315883422 /nfs/dbraw/zinc/88/34/22/1315883422.db2.gz WUZOGTZHZUJHIF-QFBILLFUSA-N 1 3 345.531 2.826 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255948807 1315883902 /nfs/dbraw/zinc/88/39/02/1315883902.db2.gz PVUQJPOWSHNZFA-GJZGRUSLSA-N 1 3 327.513 2.952 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ccc(F)cn2)CCOCC1 ZINC001255952997 1315883929 /nfs/dbraw/zinc/88/39/29/1315883929.db2.gz HLWYSSNKAAWYHW-MRXNPFEDSA-N 1 3 337.483 2.979 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001255953603 1315884011 /nfs/dbraw/zinc/88/40/11/1315884011.db2.gz LUXLJVXQPMMMAR-HKUYNNGSSA-N 1 3 333.520 2.980 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ncccc2F)CCOCC1 ZINC001255952468 1315884186 /nfs/dbraw/zinc/88/41/86/1315884186.db2.gz MTAFGAZQTFLILY-INIZCTEOSA-N 1 3 337.483 2.979 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC001255954068 1315884499 /nfs/dbraw/zinc/88/44/99/1315884499.db2.gz RQLHQUHSSLIAPQ-IAGOWNOFSA-N 1 3 341.503 2.919 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039622718 1315887159 /nfs/dbraw/zinc/88/71/59/1315887159.db2.gz JACDXWSMVTWNHZ-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039622718 1315887163 /nfs/dbraw/zinc/88/71/63/1315887163.db2.gz JACDXWSMVTWNHZ-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC1(C)CC(N)CC(C)(C)[NH+]1C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255969558 1315887297 /nfs/dbraw/zinc/88/72/97/1315887297.db2.gz CJUNCCVPQCEDEX-UHFFFAOYSA-N 1 3 335.414 2.520 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039622494 1315887376 /nfs/dbraw/zinc/88/73/76/1315887376.db2.gz CTOIFGLTFXJVON-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039622494 1315887380 /nfs/dbraw/zinc/88/73/80/1315887380.db2.gz CTOIFGLTFXJVON-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677793 1315894039 /nfs/dbraw/zinc/89/40/39/1315894039.db2.gz PYPYOFLUMNONNJ-YSTOQKLRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677793 1315894043 /nfs/dbraw/zinc/89/40/43/1315894043.db2.gz PYPYOFLUMNONNJ-YSTOQKLRSA-N 1 3 345.531 2.869 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379008 1315939947 /nfs/dbraw/zinc/93/99/47/1315939947.db2.gz ZLFLDNCANLAPSC-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379008 1315939949 /nfs/dbraw/zinc/93/99/49/1315939949.db2.gz ZLFLDNCANLAPSC-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471186 1315945439 /nfs/dbraw/zinc/94/54/39/1315945439.db2.gz HXUZBAMOSCIXBM-NCOADZHNSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471186 1315945440 /nfs/dbraw/zinc/94/54/40/1315945440.db2.gz HXUZBAMOSCIXBM-NCOADZHNSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256530460 1315952333 /nfs/dbraw/zinc/95/23/33/1315952333.db2.gz LWCLGFKVDIZSJA-PWIZWCRZSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256530460 1315952336 /nfs/dbraw/zinc/95/23/36/1315952336.db2.gz LWCLGFKVDIZSJA-PWIZWCRZSA-N 1 3 325.456 2.758 20 0 EFADHO COCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553685 1315957006 /nfs/dbraw/zinc/95/70/06/1315957006.db2.gz JAMZJXCBJSVAJZ-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO COCCCN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553685 1315957007 /nfs/dbraw/zinc/95/70/07/1315957007.db2.gz JAMZJXCBJSVAJZ-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC001256563859 1315959723 /nfs/dbraw/zinc/95/97/23/1315959723.db2.gz IZMAVHYOXNDUJG-HKUYNNGSSA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256566236 1315960024 /nfs/dbraw/zinc/96/00/24/1315960024.db2.gz RLUHFXDWJMLXFF-UHFFFAOYSA-N 1 3 330.520 2.899 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC1 ZINC001256565947 1315960134 /nfs/dbraw/zinc/96/01/34/1315960134.db2.gz NTNWDCLNEMUCMA-SFHVURJKSA-N 1 3 347.478 2.893 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2(c3cccnc3)CCOCC2)CC1 ZINC001256567715 1315960997 /nfs/dbraw/zinc/96/09/97/1315960997.db2.gz XTZYEXGSHPKQIZ-UHFFFAOYSA-N 1 3 331.504 2.982 20 0 EFADHO CC[NH+](CC)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256590253 1315965483 /nfs/dbraw/zinc/96/54/83/1315965483.db2.gz FKYOJGUOCLFONQ-UHFFFAOYSA-N 1 3 330.520 2.852 20 0 EFADHO COc1ccc(NC2CCN(Cc3ccncc3)CC2)cc1C[NH3+] ZINC001256587057 1315965794 /nfs/dbraw/zinc/96/57/94/1315965794.db2.gz ZRKHBEHNOSYLMZ-UHFFFAOYSA-N 1 3 326.444 2.625 20 0 EFADHO C[N@H+](C1CC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256594192 1315966387 /nfs/dbraw/zinc/96/63/87/1315966387.db2.gz OXDKFOSLSDBJKJ-UHFFFAOYSA-N 1 3 328.504 2.605 20 0 EFADHO C[N@@H+](C1CC1)C1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256594192 1315966391 /nfs/dbraw/zinc/96/63/91/1315966391.db2.gz OXDKFOSLSDBJKJ-UHFFFAOYSA-N 1 3 328.504 2.605 20 0 EFADHO N=c1sc2c(n1C1CCN(Cc3ccccc3)CC1)CC[NH2+]C2 ZINC001256611384 1315968619 /nfs/dbraw/zinc/96/86/19/1315968619.db2.gz REOOCQOEVOCRFS-UHFFFAOYSA-N 1 3 328.485 2.512 20 0 EFADHO CCOC(=O)CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001256618773 1315969576 /nfs/dbraw/zinc/96/95/76/1315969576.db2.gz MHNUJCOPIHMKJL-YQQQUEKLSA-N 1 3 330.472 2.897 20 0 EFADHO Cc1ccc(CN2C[C@H]3C[NH+](C4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001256622520 1315970334 /nfs/dbraw/zinc/97/03/34/1315970334.db2.gz BLFMKIZNQQNTCQ-CJLFMRGVSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1nc(CN2CCC3(C[NH+](C4C[C@H]5CC[C@@H](C4)N5C)C3)C2)cs1 ZINC001256626893 1315971535 /nfs/dbraw/zinc/97/15/35/1315971535.db2.gz WCZCEBWXOQMPJB-JWTNVVGKSA-N 1 3 346.544 2.584 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256642674 1315974370 /nfs/dbraw/zinc/97/43/70/1315974370.db2.gz LWQMDOGZJMBJLS-LJQANCHMSA-N 1 3 345.531 2.512 20 0 EFADHO Cn1c(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1C(F)(F)F ZINC001256677728 1315979947 /nfs/dbraw/zinc/97/99/47/1315979947.db2.gz NRSJMXKWXLROGX-UHFFFAOYSA-N 1 3 345.409 2.777 20 0 EFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cnc2ccccn21 ZINC001256678146 1315980123 /nfs/dbraw/zinc/98/01/23/1315980123.db2.gz RZLMQGGXVNSGHO-KLAILNCOSA-N 1 3 328.460 2.628 20 0 EFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc2c(c1)OCCO2 ZINC001256678738 1315980176 /nfs/dbraw/zinc/98/01/76/1315980176.db2.gz ZRODSTMNYFHKBS-FAEJEUNOSA-N 1 3 346.471 2.752 20 0 EFADHO CN(C)C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678858 1315980257 /nfs/dbraw/zinc/98/02/57/1315980257.db2.gz SRAVCVWBAVJYFX-MHJFOBGBSA-N 1 3 331.504 2.522 20 0 EFADHO Cc1ccccc1OCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679004 1315980279 /nfs/dbraw/zinc/98/02/79/1315980279.db2.gz YWQCVJNZAIMYOD-UHFFFAOYSA-N 1 3 332.488 2.997 20 0 EFADHO Fc1cc(F)c(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256677591 1315980376 /nfs/dbraw/zinc/98/03/76/1315980376.db2.gz GFPYOJOWYYNVBP-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO COc1cccc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256680991 1315980870 /nfs/dbraw/zinc/98/08/70/1315980870.db2.gz HWBGFMKHSUUHCU-UHFFFAOYSA-N 1 3 347.503 2.601 20 0 EFADHO [NH3+][C@H]1Cc2c3ccccc3n(C3CCC(N4CCOCC4)CC3)c2C1 ZINC001256682493 1315980942 /nfs/dbraw/zinc/98/09/42/1315980942.db2.gz JPSYTECAJSEXSK-GTPINHCMSA-N 1 3 339.483 2.883 20 0 EFADHO COc1cccc2c(C[NH3+])cn(C3CCC(N4CCOCC4)CC3)c21 ZINC001256684326 1315981272 /nfs/dbraw/zinc/98/12/72/1315981272.db2.gz PKBFYWSOOJQUDF-UHFFFAOYSA-N 1 3 343.471 2.925 20 0 EFADHO COc1ccc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256685803 1315981528 /nfs/dbraw/zinc/98/15/28/1315981528.db2.gz HFJFLDFCOHNICV-LBXVMSDZSA-N 1 3 345.487 2.774 20 0 EFADHO COc1cnccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256689194 1315981945 /nfs/dbraw/zinc/98/19/45/1315981945.db2.gz SUTYOOBYBIDPAD-LBXVMSDZSA-N 1 3 345.487 2.774 20 0 EFADHO COc1cncc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256689622 1315982080 /nfs/dbraw/zinc/98/20/80/1315982080.db2.gz YEXFWFHMZQRMKS-QLOJAFMTSA-N 1 3 345.487 2.774 20 0 EFADHO c1cnc2c(c1)cccc2C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256688440 1315982418 /nfs/dbraw/zinc/98/24/18/1315982418.db2.gz ZPFBOCLGVZNCQD-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO FC(F)(F)c1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccn1 ZINC001256688034 1315982434 /nfs/dbraw/zinc/98/24/34/1315982434.db2.gz MVWOOFDRBNFILB-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Fc1cncc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)c1 ZINC001256687613 1315982558 /nfs/dbraw/zinc/98/25/58/1315982558.db2.gz ZQQOAECMHMVNAB-ACBHZAAOSA-N 1 3 333.451 2.905 20 0 EFADHO FC1(F)COC2(C1)CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256691499 1315982803 /nfs/dbraw/zinc/98/28/03/1315982803.db2.gz QAENIZCKPQTROD-UHFFFAOYSA-N 1 3 344.446 2.520 20 0 EFADHO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(N2CCOCC2)CC1 ZINC001256698350 1315983583 /nfs/dbraw/zinc/98/35/83/1315983583.db2.gz AKCKNWMMLUGELP-ACBHZAAOSA-N 1 3 330.472 2.565 20 0 EFADHO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(N2CCOCC2)CC1 ZINC001256698350 1315983587 /nfs/dbraw/zinc/98/35/87/1315983587.db2.gz AKCKNWMMLUGELP-ACBHZAAOSA-N 1 3 330.472 2.565 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039861077 1315986364 /nfs/dbraw/zinc/98/63/64/1315986364.db2.gz UUOMBPWITIDKJH-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039861077 1315986366 /nfs/dbraw/zinc/98/63/66/1315986366.db2.gz UUOMBPWITIDKJH-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039861034 1315986431 /nfs/dbraw/zinc/98/64/31/1315986431.db2.gz SPCAVDMCNGQKJZ-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039861034 1315986434 /nfs/dbraw/zinc/98/64/34/1315986434.db2.gz SPCAVDMCNGQKJZ-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806650 1315992750 /nfs/dbraw/zinc/99/27/50/1315992750.db2.gz HXFQHNQSHVTINQ-QZTJIDSGSA-N 1 3 346.471 2.653 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806650 1315992753 /nfs/dbraw/zinc/99/27/53/1315992753.db2.gz HXFQHNQSHVTINQ-QZTJIDSGSA-N 1 3 346.471 2.653 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806652 1315993183 /nfs/dbraw/zinc/99/31/83/1315993183.db2.gz HXFQHNQSHVTINQ-ZWKOTPCHSA-N 1 3 346.471 2.653 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256806652 1315993185 /nfs/dbraw/zinc/99/31/85/1315993185.db2.gz HXFQHNQSHVTINQ-ZWKOTPCHSA-N 1 3 346.471 2.653 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256809304 1315993522 /nfs/dbraw/zinc/99/35/22/1315993522.db2.gz YJELSVSXQLLAQC-SFTDATJTSA-N 1 3 345.531 2.866 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815432 1315993974 /nfs/dbraw/zinc/99/39/74/1315993974.db2.gz AAVLGQNZTAGTMA-RBUKOAKNSA-N 1 3 348.487 2.724 20 0 EFADHO Oc1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC001256855535 1315999659 /nfs/dbraw/zinc/99/96/59/1315999659.db2.gz ODBZGFPFERHDQS-UHFFFAOYSA-N 1 3 338.455 2.578 20 0 EFADHO NCc1cc(-c2ccncc2)nn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908893 1316008408 /nfs/dbraw/zinc/00/84/08/1316008408.db2.gz RIXWOLVVXLDZQM-QGZVFWFLSA-N 1 3 325.460 2.983 20 0 EFADHO NCc1cc(-c2ccncc2)nn1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908893 1316008411 /nfs/dbraw/zinc/00/84/11/1316008411.db2.gz RIXWOLVVXLDZQM-QGZVFWFLSA-N 1 3 325.460 2.983 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913802 1316015612 /nfs/dbraw/zinc/01/56/12/1316015612.db2.gz DSPIBMXGDYVDER-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913802 1316015616 /nfs/dbraw/zinc/01/56/16/1316015616.db2.gz DSPIBMXGDYVDER-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039972465 1316042311 /nfs/dbraw/zinc/04/23/11/1316042311.db2.gz NPPXFQPRBHCFJK-WCIQWLHISA-N 1 3 347.547 2.972 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039972923 1316042827 /nfs/dbraw/zinc/04/28/27/1316042827.db2.gz YKRNEWJGKDWAIZ-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC001257213995 1316047518 /nfs/dbraw/zinc/04/75/18/1316047518.db2.gz VODCNLYYEBYSIU-QGZVFWFLSA-N 1 3 349.906 2.903 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 ZINC001257215765 1316047889 /nfs/dbraw/zinc/04/78/89/1316047889.db2.gz YSNQHMHZSSNOQN-NVXWUHKLSA-N 1 3 337.508 2.800 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CC1 ZINC001257220328 1316049050 /nfs/dbraw/zinc/04/90/50/1316049050.db2.gz NMAJIPNJRNWOKP-LJQANCHMSA-N 1 3 341.499 2.813 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001040014282 1316055117 /nfs/dbraw/zinc/05/51/17/1316055117.db2.gz IWTJPRMYIFPTJG-KDURUIRLSA-N 1 3 333.520 2.728 20 0 EFADHO CCCC[C@H](CC)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257420278 1316063574 /nfs/dbraw/zinc/06/35/74/1316063574.db2.gz KHSKCTQOSUEEKD-SFHVURJKSA-N 1 3 333.520 2.779 20 0 EFADHO CCCC[C@H](CC)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257420278 1316063578 /nfs/dbraw/zinc/06/35/78/1316063578.db2.gz KHSKCTQOSUEEKD-SFHVURJKSA-N 1 3 333.520 2.779 20 0 EFADHO CCCC[C@@H](CC)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257420274 1316063921 /nfs/dbraw/zinc/06/39/21/1316063921.db2.gz KHSKCTQOSUEEKD-GOSISDBHSA-N 1 3 333.520 2.779 20 0 EFADHO CCCC[C@@H](CC)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257420274 1316063923 /nfs/dbraw/zinc/06/39/23/1316063923.db2.gz KHSKCTQOSUEEKD-GOSISDBHSA-N 1 3 333.520 2.779 20 0 EFADHO c1cc(CN2CCC(C[NH2+]C3CCC4(COC4)CC3)CC2)ccn1 ZINC001257902692 1316102184 /nfs/dbraw/zinc/10/21/84/1316102184.db2.gz ZQKVBCWXGYNQTN-UHFFFAOYSA-N 1 3 329.488 2.842 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040114998 1316102491 /nfs/dbraw/zinc/10/24/91/1316102491.db2.gz MOQHNLTVIRUQRL-MJGOQNOKSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040114998 1316102494 /nfs/dbraw/zinc/10/24/94/1316102494.db2.gz MOQHNLTVIRUQRL-MJGOQNOKSA-N 1 3 347.528 2.657 20 0 EFADHO CC(C)C[NH+]1CCC(NCC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258003005 1316108384 /nfs/dbraw/zinc/10/83/84/1316108384.db2.gz TVTUQKXJKWWBCI-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001258003005 1316108387 /nfs/dbraw/zinc/10/83/87/1316108387.db2.gz TVTUQKXJKWWBCI-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO COc1ccccc1CN1CC[C@H](NC2CC[NH+](CC(C)C)CC2)C1 ZINC001258008164 1316109284 /nfs/dbraw/zinc/10/92/84/1316109284.db2.gz IIXNVIGNEVUPPV-FQEVSTJZSA-N 1 3 345.531 2.980 20 0 EFADHO CC(C)C[NH+]1CCC(NCC2(c3ncccc3F)CCOCC2)CC1 ZINC001258007641 1316109598 /nfs/dbraw/zinc/10/95/98/1316109598.db2.gz KUJUEJKRVRJTLH-UHFFFAOYSA-N 1 3 349.494 2.979 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(c3ncccc3F)CCOCC2)CC1 ZINC001258007641 1316109601 /nfs/dbraw/zinc/10/96/01/1316109601.db2.gz KUJUEJKRVRJTLH-UHFFFAOYSA-N 1 3 349.494 2.979 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)c3ccccc3F)C2)CC1 ZINC001258008136 1316109681 /nfs/dbraw/zinc/10/96/81/1316109681.db2.gz GUMJCTUPCHBGNB-KRWDZBQOSA-N 1 3 347.478 2.750 20 0 EFADHO CC[N@H+](CCNC(=O)OC(C)(C)C)C1CCN(CC(C)C)CC1 ZINC001258016621 1316110748 /nfs/dbraw/zinc/11/07/48/1316110748.db2.gz AZZYHXPAHSUNDG-UHFFFAOYSA-N 1 3 327.513 2.953 20 0 EFADHO CC[N@@H+](CCNC(=O)OC(C)(C)C)C1CCN(CC(C)C)CC1 ZINC001258016621 1316110750 /nfs/dbraw/zinc/11/07/50/1316110750.db2.gz AZZYHXPAHSUNDG-UHFFFAOYSA-N 1 3 327.513 2.953 20 0 EFADHO CCOC(=O)CCC[C@@H](C)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258114272 1316119692 /nfs/dbraw/zinc/11/96/92/1316119692.db2.gz QYPBYCYESAYUCU-MRXNPFEDSA-N 1 3 333.476 2.539 20 0 EFADHO c1ccc(CC[NH+]2CCC(N3CCN4CCCC[C@@H]4C3)CC2)cc1 ZINC001258142814 1316124570 /nfs/dbraw/zinc/12/45/70/1316124570.db2.gz BPPKBLPGRMKPSG-OAQYLSRUSA-N 1 3 327.516 2.864 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398779 1316148470 /nfs/dbraw/zinc/14/84/70/1316148470.db2.gz YLXYFMFNKSBROA-IBGZPJMESA-N 1 3 347.547 2.976 20 0 EFADHO CCCN1CCC([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258775340 1316177334 /nfs/dbraw/zinc/17/73/34/1316177334.db2.gz LANFWVDCTIVOQV-PMACEKPBSA-N 1 3 327.516 2.925 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@H]1CCC[C@H](C)C1)CCC2 ZINC001258824825 1316181864 /nfs/dbraw/zinc/18/18/64/1316181864.db2.gz TXIOZQMPPGKONW-WMZOPIPTSA-N 1 3 346.519 2.870 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]CCCN2CCCC2)cc(OC)c1OC ZINC001258852592 1316184845 /nfs/dbraw/zinc/18/48/45/1316184845.db2.gz LCMBLXMVIIZZJX-OAHLLOKOSA-N 1 3 336.476 2.719 20 0 EFADHO CCOC(=O)C1(N[C@H](C)CCC[NH+](CC)CC)CCN(CC)CC1 ZINC001258902475 1316190468 /nfs/dbraw/zinc/19/04/68/1316190468.db2.gz CYNOAPZLZGLDTE-QGZVFWFLSA-N 1 3 341.540 2.504 20 0 EFADHO CCOC(=O)C1(N[C@@H](C)CCC[NH+](CC)CC)CCN(CC)CC1 ZINC001258902474 1316190565 /nfs/dbraw/zinc/19/05/65/1316190565.db2.gz CYNOAPZLZGLDTE-KRWDZBQOSA-N 1 3 341.540 2.504 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381905836 1316198698 /nfs/dbraw/zinc/19/86/98/1316198698.db2.gz XWMYGQSCFTXXIQ-OWCLPIDISA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040381736 1316231861 /nfs/dbraw/zinc/23/18/61/1316231861.db2.gz YOSSVMBWVJWIAB-UYAOXDASSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040381736 1316231864 /nfs/dbraw/zinc/23/18/64/1316231864.db2.gz YOSSVMBWVJWIAB-UYAOXDASSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040393350 1316239999 /nfs/dbraw/zinc/23/99/99/1316239999.db2.gz AYNGPKNXYXFMEQ-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040393350 1316240001 /nfs/dbraw/zinc/24/00/01/1316240001.db2.gz AYNGPKNXYXFMEQ-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394577 1316240928 /nfs/dbraw/zinc/24/09/28/1316240928.db2.gz JKTOCKZDGBMYTG-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394577 1316240932 /nfs/dbraw/zinc/24/09/32/1316240932.db2.gz JKTOCKZDGBMYTG-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040397091 1316242546 /nfs/dbraw/zinc/24/25/46/1316242546.db2.gz XVUAGCULXBXVEM-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040397091 1316242547 /nfs/dbraw/zinc/24/25/47/1316242547.db2.gz XVUAGCULXBXVEM-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC(F)(F)F)C2)N(C)C ZINC001040399414 1316243472 /nfs/dbraw/zinc/24/34/72/1316243472.db2.gz OFRDRIPQYCPSBV-HOCLYGCPSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC(F)(F)F)C2)N(C)C ZINC001040399414 1316243473 /nfs/dbraw/zinc/24/34/73/1316243473.db2.gz OFRDRIPQYCPSBV-HOCLYGCPSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465504 1316281204 /nfs/dbraw/zinc/28/12/04/1316281204.db2.gz ZFUXFUNWGWIIJV-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465504 1316281208 /nfs/dbraw/zinc/28/12/08/1316281208.db2.gz ZFUXFUNWGWIIJV-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040532349 1316311448 /nfs/dbraw/zinc/31/14/48/1316311448.db2.gz WKPNNKOQKHQDKA-LJQANCHMSA-N 1 3 347.528 2.658 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040532349 1316311452 /nfs/dbraw/zinc/31/14/52/1316311452.db2.gz WKPNNKOQKHQDKA-LJQANCHMSA-N 1 3 347.528 2.658 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]2C)c1 ZINC001072369119 1316377941 /nfs/dbraw/zinc/37/79/41/1316377941.db2.gz LRRXMABGCSQNRD-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040836827 1316385825 /nfs/dbraw/zinc/38/58/25/1316385825.db2.gz WTRPKKMQBJTULI-GOSISDBHSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040948364 1316409378 /nfs/dbraw/zinc/40/93/78/1316409378.db2.gz PLWUESXOVMHQBD-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040948688 1316409421 /nfs/dbraw/zinc/40/94/21/1316409421.db2.gz XATZIIWKSKVPFP-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(CN2CCC3(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C3)C2)cs1 ZINC001072955405 1316424916 /nfs/dbraw/zinc/42/49/16/1316424916.db2.gz IZFRXWNBMZMXIY-QGZVFWFLSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@]3(CCN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC001041142038 1316457744 /nfs/dbraw/zinc/45/77/44/1316457744.db2.gz SGSMDLSXRBNCHW-MJGOQNOKSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC001041142038 1316457748 /nfs/dbraw/zinc/45/77/48/1316457748.db2.gz SGSMDLSXRBNCHW-MJGOQNOKSA-N 1 3 347.528 2.575 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)N(C)C ZINC001262565391 1316472454 /nfs/dbraw/zinc/47/24/54/1316472454.db2.gz KEOZMNLVUCCMIT-RYUDHWBXSA-N 1 3 335.275 2.663 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041277183 1316499422 /nfs/dbraw/zinc/49/94/22/1316499422.db2.gz NOBKOGNEJMHNON-LOGPRUAHSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041277183 1316499425 /nfs/dbraw/zinc/49/94/25/1316499425.db2.gz NOBKOGNEJMHNON-LOGPRUAHSA-N 1 3 339.911 2.536 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cc1 ZINC001074564930 1316525085 /nfs/dbraw/zinc/52/50/85/1316525085.db2.gz JZTLDGZDROPVRG-FFZOFVMBSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565050 1316525160 /nfs/dbraw/zinc/52/51/60/1316525160.db2.gz PIMFAXUDJCNURX-WBAXXEDZSA-N 1 3 349.906 2.556 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074564981 1316525324 /nfs/dbraw/zinc/52/53/24/1316525324.db2.gz MKRKMZIKGDFVCH-WBAXXEDZSA-N 1 3 349.906 2.822 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)c(C)s1 ZINC001074564875 1316525384 /nfs/dbraw/zinc/52/53/84/1316525384.db2.gz IBSYQMZORBEDAJ-JQFCIGGWSA-N 1 3 335.517 2.538 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CCC1 ZINC001041357448 1316526024 /nfs/dbraw/zinc/52/60/24/1316526024.db2.gz HXKGJCVWBKAKAC-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CCC1 ZINC001041357448 1316526026 /nfs/dbraw/zinc/52/60/26/1316526026.db2.gz HXKGJCVWBKAKAC-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CCC1 ZINC001041356841 1316526050 /nfs/dbraw/zinc/52/60/50/1316526050.db2.gz BVHKTLJMFGYTEY-IBGZPJMESA-N 1 3 347.528 2.657 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CCC1 ZINC001041356841 1316526052 /nfs/dbraw/zinc/52/60/52/1316526052.db2.gz BVHKTLJMFGYTEY-IBGZPJMESA-N 1 3 347.528 2.657 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CCC1 ZINC001041358694 1316526870 /nfs/dbraw/zinc/52/68/70/1316526870.db2.gz PSQXVQRIQMTOLB-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CCC1 ZINC001041358694 1316526871 /nfs/dbraw/zinc/52/68/71/1316526871.db2.gz PSQXVQRIQMTOLB-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001041358650 1316527065 /nfs/dbraw/zinc/52/70/65/1316527065.db2.gz PNAPPPGIZQQVJQ-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001041358650 1316527068 /nfs/dbraw/zinc/52/70/68/1316527068.db2.gz PNAPPPGIZQQVJQ-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360615 1316527995 /nfs/dbraw/zinc/52/79/95/1316527995.db2.gz ZIYAAFKMFXNZNS-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360615 1316527999 /nfs/dbraw/zinc/52/79/99/1316527999.db2.gz ZIYAAFKMFXNZNS-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378729 1316532707 /nfs/dbraw/zinc/53/27/07/1316532707.db2.gz LJNMVIOKCGDSCD-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378729 1316532709 /nfs/dbraw/zinc/53/27/09/1316532709.db2.gz LJNMVIOKCGDSCD-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)cc1C ZINC001074878144 1316538952 /nfs/dbraw/zinc/53/89/52/1316538952.db2.gz CBHCVGZWLXNWDL-QSFXBCCZSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)cc1 ZINC001074877859 1316539117 /nfs/dbraw/zinc/53/91/17/1316539117.db2.gz PSKPRFFIDSEWCY-UWVAXJGDSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)c1 ZINC001074878241 1316539249 /nfs/dbraw/zinc/53/92/49/1316539249.db2.gz IEQQZAPFNCJYPL-ZWOKBUDYSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041402058 1316541082 /nfs/dbraw/zinc/54/10/82/1316541082.db2.gz FSOVJWNBOKVOIH-UYAOXDASSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041402058 1316541084 /nfs/dbraw/zinc/54/10/84/1316541084.db2.gz FSOVJWNBOKVOIH-UYAOXDASSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC001491567841 1316559911 /nfs/dbraw/zinc/55/99/11/1316559911.db2.gz HXVWXNYGELYBAX-UONOGXRCSA-N 1 3 337.895 2.837 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)CC1 ZINC001041625545 1316625823 /nfs/dbraw/zinc/62/58/23/1316625823.db2.gz IXDIVHAANIFYTM-IBGZPJMESA-N 1 3 347.528 2.514 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041646508 1316633200 /nfs/dbraw/zinc/63/32/00/1316633200.db2.gz RTJTXCFEEXZASK-XLIONFOSSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041646508 1316633202 /nfs/dbraw/zinc/63/32/02/1316633202.db2.gz RTJTXCFEEXZASK-XLIONFOSSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672971 1316644201 /nfs/dbraw/zinc/64/42/01/1316644201.db2.gz SAZHLDWFHGNUAB-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672971 1316644205 /nfs/dbraw/zinc/64/42/05/1316644205.db2.gz SAZHLDWFHGNUAB-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041676655 1316645263 /nfs/dbraw/zinc/64/52/63/1316645263.db2.gz YXOJSPRHSDYVGH-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041676655 1316645266 /nfs/dbraw/zinc/64/52/66/1316645266.db2.gz YXOJSPRHSDYVGH-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677352 1316645630 /nfs/dbraw/zinc/64/56/30/1316645630.db2.gz AWQBWNTVBNVREH-LAUBAEHRSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677352 1316645632 /nfs/dbraw/zinc/64/56/32/1316645632.db2.gz AWQBWNTVBNVREH-LAUBAEHRSA-N 1 3 347.547 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677694 1316645974 /nfs/dbraw/zinc/64/59/74/1316645974.db2.gz DWNSDUARELGWSM-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677694 1316645977 /nfs/dbraw/zinc/64/59/77/1316645977.db2.gz DWNSDUARELGWSM-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041684048 1316647373 /nfs/dbraw/zinc/64/73/73/1316647373.db2.gz ABMHNXWEWYAOCV-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041684048 1316647375 /nfs/dbraw/zinc/64/73/75/1316647375.db2.gz ABMHNXWEWYAOCV-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041686992 1316648498 /nfs/dbraw/zinc/64/84/98/1316648498.db2.gz OTKMLHPXXGUULY-FXAWDEMLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041686992 1316648503 /nfs/dbraw/zinc/64/85/03/1316648503.db2.gz OTKMLHPXXGUULY-FXAWDEMLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041691672 1316649359 /nfs/dbraw/zinc/64/93/59/1316649359.db2.gz FSOVJWNBOKVOIH-ICSRJNTNSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041691672 1316649361 /nfs/dbraw/zinc/64/93/61/1316649361.db2.gz FSOVJWNBOKVOIH-ICSRJNTNSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001041711756 1316657477 /nfs/dbraw/zinc/65/74/77/1316657477.db2.gz IGXBFIWBULFXKG-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001041711756 1316657479 /nfs/dbraw/zinc/65/74/79/1316657479.db2.gz IGXBFIWBULFXKG-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001041715528 1316659906 /nfs/dbraw/zinc/65/99/06/1316659906.db2.gz VVYOQZXCJUNALU-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001041715528 1316659907 /nfs/dbraw/zinc/65/99/07/1316659907.db2.gz VVYOQZXCJUNALU-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757002 1316683591 /nfs/dbraw/zinc/68/35/91/1316683591.db2.gz OIQNCFUJSZDVHR-HXUWFJFHSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757002 1316683593 /nfs/dbraw/zinc/68/35/93/1316683593.db2.gz OIQNCFUJSZDVHR-HXUWFJFHSA-N 1 3 333.520 2.609 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041844652 1316730561 /nfs/dbraw/zinc/73/05/61/1316730561.db2.gz BWOZOCNMQPWZKT-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041844652 1316730564 /nfs/dbraw/zinc/73/05/64/1316730564.db2.gz BWOZOCNMQPWZKT-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844982 1316731565 /nfs/dbraw/zinc/73/15/65/1316731565.db2.gz QTUCBRVDMDWNQD-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844982 1316731568 /nfs/dbraw/zinc/73/15/68/1316731568.db2.gz QTUCBRVDMDWNQD-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042061502 1316851671 /nfs/dbraw/zinc/85/16/71/1316851671.db2.gz GPBDTXSGEAERDA-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042061502 1316851674 /nfs/dbraw/zinc/85/16/74/1316851674.db2.gz GPBDTXSGEAERDA-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042062526 1316852914 /nfs/dbraw/zinc/85/29/14/1316852914.db2.gz MPTDSDSGZQBOLN-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042062526 1316852916 /nfs/dbraw/zinc/85/29/16/1316852916.db2.gz MPTDSDSGZQBOLN-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001265866116 1316897104 /nfs/dbraw/zinc/89/71/04/1316897104.db2.gz HQHZTYUDGSCIBO-IBGZPJMESA-N 1 3 344.503 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001265866116 1316897107 /nfs/dbraw/zinc/89/71/07/1316897107.db2.gz HQHZTYUDGSCIBO-IBGZPJMESA-N 1 3 344.503 2.692 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186124 1316939790 /nfs/dbraw/zinc/93/97/90/1316939790.db2.gz DFDUVAQYPRZRDM-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186124 1316939793 /nfs/dbraw/zinc/93/97/93/1316939793.db2.gz DFDUVAQYPRZRDM-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCC3)[C@@H]2C1)N1CCCC1 ZINC001042186203 1316939834 /nfs/dbraw/zinc/93/98/34/1316939834.db2.gz FBCPBCHWPVARAB-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCC3)[C@@H]2C1)N1CCCC1 ZINC001042186203 1316939836 /nfs/dbraw/zinc/93/98/36/1316939836.db2.gz FBCPBCHWPVARAB-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186624 1316940036 /nfs/dbraw/zinc/94/00/36/1316940036.db2.gz ISEQUFPIXFAKEI-ROUUACIJSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186624 1316940037 /nfs/dbraw/zinc/94/00/37/1316940037.db2.gz ISEQUFPIXFAKEI-ROUUACIJSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369689 1317225381 /nfs/dbraw/zinc/22/53/81/1317225381.db2.gz ZZCZPOQEQDBJLD-PXNSSMCTSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369689 1317225385 /nfs/dbraw/zinc/22/53/85/1317225385.db2.gz ZZCZPOQEQDBJLD-PXNSSMCTSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@@H]2C1 ZINC001042369303 1317225727 /nfs/dbraw/zinc/22/57/27/1317225727.db2.gz WDHOFXYCQDJEAJ-YLJYHZDGSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C1 ZINC001042369303 1317225735 /nfs/dbraw/zinc/22/57/35/1317225735.db2.gz WDHOFXYCQDJEAJ-YLJYHZDGSA-N 1 3 341.499 2.695 20 0 EFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccc4[nH]ccc4c2)CC3)cn1 ZINC001279378076 1317251234 /nfs/dbraw/zinc/25/12/34/1317251234.db2.gz QBSGOOANENYHRR-UHFFFAOYSA-N 1 3 349.482 2.962 20 0 EFADHO Cc1ccccc1CCC[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001319132374 1328785523 /nfs/dbraw/zinc/78/55/23/1328785523.db2.gz KALBSPRKIIJCIM-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001319537357 1328912182 /nfs/dbraw/zinc/91/21/82/1328912182.db2.gz FKWOVAITMNUFDY-OAHLLOKOSA-N 1 3 336.439 2.742 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1C ZINC001491580783 1323721981 /nfs/dbraw/zinc/72/19/81/1323721981.db2.gz WNBDWERJTCASOG-HNNXBMFYSA-N 1 3 349.519 2.576 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001492251852 1324377539 /nfs/dbraw/zinc/37/75/39/1324377539.db2.gz YXZWEZCBYKBCJF-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001492251852 1324377541 /nfs/dbraw/zinc/37/75/41/1324377541.db2.gz YXZWEZCBYKBCJF-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492402908 1324486036 /nfs/dbraw/zinc/48/60/36/1324486036.db2.gz WYGGNVUCHSYISB-GOSISDBHSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492402910 1324486353 /nfs/dbraw/zinc/48/63/53/1324486353.db2.gz WYGGNVUCHSYISB-SFHVURJKSA-N 1 3 335.467 2.667 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001492483702 1328286610 /nfs/dbraw/zinc/28/66/10/1328286610.db2.gz DSMJLOHCYRRBED-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001380991002 1348010311 /nfs/dbraw/zinc/01/03/11/1348010311.db2.gz STPPQNIEOLYDLU-QZTJIDSGSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001380991002 1348010312 /nfs/dbraw/zinc/01/03/12/1348010312.db2.gz STPPQNIEOLYDLU-QZTJIDSGSA-N 1 3 341.515 2.638 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001326408747 1329753801 /nfs/dbraw/zinc/75/38/01/1329753801.db2.gz MQSFUYLQXNJUCY-SFHVURJKSA-N 1 3 333.476 2.863 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001382313740 1348860760 /nfs/dbraw/zinc/86/07/60/1348860760.db2.gz LRLLKAYHVOBCSY-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)c3cccc(C[NH3+])c3)cc2)CC1 ZINC001328576756 1330604588 /nfs/dbraw/zinc/60/45/88/1330604588.db2.gz BTNUYUAUBUXQFU-UHFFFAOYSA-N 1 3 338.455 2.540 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001333731490 1331204503 /nfs/dbraw/zinc/20/45/03/1331204503.db2.gz CATKBSWALXFODI-RBUKOAKNSA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001333731490 1331204507 /nfs/dbraw/zinc/20/45/07/1331204507.db2.gz CATKBSWALXFODI-RBUKOAKNSA-N 1 3 344.503 2.673 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001340111551 1332140984 /nfs/dbraw/zinc/14/09/84/1332140984.db2.gz DQJXEXNOIHIUEB-QAPCUYQASA-N 1 3 332.492 2.531 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001340111551 1332140989 /nfs/dbraw/zinc/14/09/89/1332140989.db2.gz DQJXEXNOIHIUEB-QAPCUYQASA-N 1 3 332.492 2.531 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CCSCCC[NH3+])CC1 ZINC001340805048 1332206935 /nfs/dbraw/zinc/20/69/35/1332206935.db2.gz SMSOPSDXROBRPL-UHFFFAOYSA-N 1 3 349.544 2.501 20 0 EFADHO COc1nc(Cl)c(CNCCC2CC[NH+](C(C)C)CC2)n1C ZINC001351784350 1333286757 /nfs/dbraw/zinc/28/67/57/1333286757.db2.gz VDDQLFCCFPZFPP-UHFFFAOYSA-N 1 3 328.888 2.682 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001001763051 1333454181 /nfs/dbraw/zinc/45/41/81/1333454181.db2.gz VGQDJFOAYBTVAL-YJBOKZPZSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001001763051 1333454183 /nfs/dbraw/zinc/45/41/83/1333454183.db2.gz VGQDJFOAYBTVAL-YJBOKZPZSA-N 1 3 349.544 2.807 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000847498404 1333805876 /nfs/dbraw/zinc/80/58/76/1333805876.db2.gz WGPRSWCLANIDQK-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001002036511 1333967690 /nfs/dbraw/zinc/96/76/90/1333967690.db2.gz GDVIXHVHJALGGY-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)N(C)C ZINC001353298777 1334071514 /nfs/dbraw/zinc/07/15/14/1334071514.db2.gz XEFUYOKVLYOVDH-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO C[C@@H](CCNCCC(=O)Nc1ccc(Br)cc1)[NH+](C)C ZINC001353298777 1334071508 /nfs/dbraw/zinc/07/15/08/1334071508.db2.gz XEFUYOKVLYOVDH-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001100442332 1334118704 /nfs/dbraw/zinc/11/87/04/1334118704.db2.gz BSXZCKNDIRNDIH-FAFZWHIHSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001100647091 1334481487 /nfs/dbraw/zinc/48/14/87/1334481487.db2.gz CAYYLTDAZPPJEY-SOAGJPPSSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100676176 1334549812 /nfs/dbraw/zinc/54/98/12/1334549812.db2.gz JBZIMZJKQOHGTB-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001100676164 1334549921 /nfs/dbraw/zinc/54/99/21/1334549921.db2.gz IQNDNPLVUHHORE-KKXNLOMOSA-N 1 3 343.515 2.506 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCc2ccccc2)C1 ZINC001100676221 1334550344 /nfs/dbraw/zinc/55/03/44/1334550344.db2.gz KWFKMWIGVOKVRQ-QHGAOEGBSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001100676215 1334550664 /nfs/dbraw/zinc/55/06/64/1334550664.db2.gz KPQOPVGDTHVZEW-HJOIGYKYSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCc2ccsc2)C1 ZINC001100676379 1334550848 /nfs/dbraw/zinc/55/08/48/1334550848.db2.gz MPJHNCRJACMZOH-FAEJEUNOSA-N 1 3 349.544 2.649 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001100678154 1334555918 /nfs/dbraw/zinc/55/59/18/1334555918.db2.gz ALDIRCHAEQNIEM-PBPGXSGUSA-N 1 3 343.515 2.575 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001100678710 1334556856 /nfs/dbraw/zinc/55/68/56/1334556856.db2.gz UOSISMGFKRHICZ-PBPGXSGUSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001100678543 1334556949 /nfs/dbraw/zinc/55/69/49/1334556949.db2.gz OFDGKZPIDIZZBO-BYVUOIPQSA-N 1 3 341.499 2.526 20 0 EFADHO CCCCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679726 1334559182 /nfs/dbraw/zinc/55/91/82/1334559182.db2.gz LCIWMHOCCKOQEE-LADRWXRNSA-N 1 3 341.515 2.874 20 0 EFADHO CCCc1ccc(C[NH2+]C2CC(CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001100683727 1334569417 /nfs/dbraw/zinc/56/94/17/1334569417.db2.gz OWMKVAMVWNIJIR-MHJFOBGBSA-N 1 3 345.531 2.964 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N(C)CC)CCCO1 ZINC001200850122 1334669247 /nfs/dbraw/zinc/66/92/47/1334669247.db2.gz DHXUUTNHGZQMPS-KRWDZBQOSA-N 1 3 341.540 2.504 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC001356055256 1334942793 /nfs/dbraw/zinc/94/27/93/1334942793.db2.gz AVDLYOMMQPLPHW-ZIFCJYIRSA-N 1 3 342.487 2.548 20 0 EFADHO Cc1ccc(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)o1 ZINC000849058099 1335062848 /nfs/dbraw/zinc/06/28/48/1335062848.db2.gz KDGBFVQMDGYNQM-UHFFFAOYSA-N 1 3 340.471 2.909 20 0 EFADHO COc1ccc(CNC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1OC ZINC000849061511 1335064300 /nfs/dbraw/zinc/06/43/00/1335064300.db2.gz IZHNPCHXRRCIID-HUUCEWRRSA-N 1 3 348.491 2.581 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(Cc2ccc(F)cc2)CC1 ZINC000849075329 1335070087 /nfs/dbraw/zinc/07/00/87/1335070087.db2.gz VCHCDDSMIVQLQE-QGZVFWFLSA-N 1 3 332.467 2.747 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCC1 ZINC000849080069 1335071295 /nfs/dbraw/zinc/07/12/95/1335071295.db2.gz OGUPBGYGULNPKE-KRWDZBQOSA-N 1 3 344.503 2.715 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000849087631 1335072583 /nfs/dbraw/zinc/07/25/83/1335072583.db2.gz GLAZONIJHXRZLQ-HZPDHXFCSA-N 1 3 338.883 2.626 20 0 EFADHO COCCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849097312 1335551447 /nfs/dbraw/zinc/55/14/47/1335551447.db2.gz AGNRBGGRVLYOCU-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO Cc1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)ccn1 ZINC000849113491 1335554682 /nfs/dbraw/zinc/55/46/82/1335554682.db2.gz PTVJOUXFXYFPIZ-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCN1C(C)C)[NH+](C)C ZINC001361413948 1336062423 /nfs/dbraw/zinc/06/24/23/1336062423.db2.gz CIENPQXYNZPFTJ-WDSOQIARSA-N 1 3 331.504 2.975 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001361518851 1336141889 /nfs/dbraw/zinc/14/18/89/1336141889.db2.gz AWJHONOXWMPUIE-PMACEKPBSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001361518851 1336141891 /nfs/dbraw/zinc/14/18/91/1336141891.db2.gz AWJHONOXWMPUIE-PMACEKPBSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001361648543 1336245102 /nfs/dbraw/zinc/24/51/02/1336245102.db2.gz ZZWZGULLFGOBTF-MOPGFXCFSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001361864919 1336383980 /nfs/dbraw/zinc/38/39/80/1336383980.db2.gz DTJDLRJTGKOMGP-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001361864919 1336383983 /nfs/dbraw/zinc/38/39/83/1336383983.db2.gz DTJDLRJTGKOMGP-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001361864919 1336383986 /nfs/dbraw/zinc/38/39/86/1336383986.db2.gz DTJDLRJTGKOMGP-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935459 1336425274 /nfs/dbraw/zinc/42/52/74/1336425274.db2.gz FVPLQHMZBSSFON-MOPGFXCFSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935459 1336425275 /nfs/dbraw/zinc/42/52/75/1336425275.db2.gz FVPLQHMZBSSFON-MOPGFXCFSA-N 1 3 331.504 2.834 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001362514297 1336641597 /nfs/dbraw/zinc/64/15/97/1336641597.db2.gz CTMPGMJTVHIULM-GOSISDBHSA-N 1 3 335.492 2.680 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001362514297 1336641601 /nfs/dbraw/zinc/64/16/01/1336641601.db2.gz CTMPGMJTVHIULM-GOSISDBHSA-N 1 3 335.492 2.680 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001362522484 1336644897 /nfs/dbraw/zinc/64/48/97/1336644897.db2.gz SDRBYELJBHTYKC-YTQUADARSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001362522484 1336644899 /nfs/dbraw/zinc/64/48/99/1336644899.db2.gz SDRBYELJBHTYKC-YTQUADARSA-N 1 3 331.504 2.914 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001362620773 1336677565 /nfs/dbraw/zinc/67/75/65/1336677565.db2.gz IUDFVKLTTMMRAC-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001362620773 1336677570 /nfs/dbraw/zinc/67/75/70/1336677570.db2.gz IUDFVKLTTMMRAC-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC001362664567 1336697241 /nfs/dbraw/zinc/69/72/41/1336697241.db2.gz QEXMPVJCICABFM-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C1 ZINC001362700268 1336709277 /nfs/dbraw/zinc/70/92/77/1336709277.db2.gz LFBWMPJZXJNHBX-GOSISDBHSA-N 1 3 343.515 2.840 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C1 ZINC001362700268 1336709279 /nfs/dbraw/zinc/70/92/79/1336709279.db2.gz LFBWMPJZXJNHBX-GOSISDBHSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1 ZINC001362758747 1336730083 /nfs/dbraw/zinc/73/00/83/1336730083.db2.gz HVBGBRZJEKSFCU-YSIASYRMSA-N 1 3 343.515 2.901 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001363365227 1336894613 /nfs/dbraw/zinc/89/46/13/1336894613.db2.gz WTIMRVOTXJEQJU-DLBZAZTESA-N 1 3 326.843 2.947 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001363365241 1336894888 /nfs/dbraw/zinc/89/48/88/1336894888.db2.gz WTIMRVOTXJEQJU-SJORKVTESA-N 1 3 326.843 2.947 20 0 EFADHO Cc1ccccc1[C@H](CO)NCc1ccc(OCC[NH+](C)C)cc1 ZINC001363371770 1336897960 /nfs/dbraw/zinc/89/79/60/1336897960.db2.gz VIDMXYUWWUGSHH-FQEVSTJZSA-N 1 3 328.456 2.759 20 0 EFADHO CN(C)c1cc(NCC2CC[NH+](C)CC2)ncc1Br ZINC001363612533 1336954543 /nfs/dbraw/zinc/95/45/43/1336954543.db2.gz WPQNTNIOBNKDQW-UHFFFAOYSA-N 1 3 327.270 2.664 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC001363692544 1336996354 /nfs/dbraw/zinc/99/63/54/1336996354.db2.gz SSRWJCWSTCWUSE-UHFFFAOYSA-N 1 3 335.517 2.755 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001363758055 1337027996 /nfs/dbraw/zinc/02/79/96/1337027996.db2.gz WOVXJHDIKHOVKA-MOPGFXCFSA-N 1 3 329.488 2.710 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC001363758055 1337027999 /nfs/dbraw/zinc/02/79/99/1337027999.db2.gz WOVXJHDIKHOVKA-MOPGFXCFSA-N 1 3 329.488 2.710 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNCc2c[nH]c(C(=O)OC)c2)c1 ZINC001363848382 1337079560 /nfs/dbraw/zinc/07/95/60/1337079560.db2.gz HZMOBNSJRNMQFC-UHFFFAOYSA-N 1 3 329.444 2.933 20 0 EFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC[C@@H]1C ZINC001363874249 1337094603 /nfs/dbraw/zinc/09/46/03/1337094603.db2.gz JNSKYRAAQSEUPE-DLBZAZTESA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@H+](CCCN(C)C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001363898288 1337104346 /nfs/dbraw/zinc/10/43/46/1337104346.db2.gz BMXZPXNZQAIGDP-OAHLLOKOSA-N 1 3 343.512 2.632 20 0 EFADHO CC[N@@H+](CCCN(C)C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC001363898288 1337104349 /nfs/dbraw/zinc/10/43/49/1337104349.db2.gz BMXZPXNZQAIGDP-OAHLLOKOSA-N 1 3 343.512 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001365937295 1337269401 /nfs/dbraw/zinc/26/94/01/1337269401.db2.gz HVMRAVRRVKBZRR-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001365937295 1337269405 /nfs/dbraw/zinc/26/94/05/1337269405.db2.gz HVMRAVRRVKBZRR-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1C ZINC001366004193 1337316176 /nfs/dbraw/zinc/31/61/76/1337316176.db2.gz OUABALBVRVJDOC-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CCCF)CC1 ZINC001366027334 1337333024 /nfs/dbraw/zinc/33/30/24/1337333024.db2.gz SJOBDCXYBUPXRJ-UHFFFAOYSA-N 1 3 327.488 2.533 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)sc1C)C1CC1)N(C)C ZINC001366062272 1337356028 /nfs/dbraw/zinc/35/60/28/1337356028.db2.gz MBFLFJYWPQAGSP-IRXDYDNUSA-N 1 3 337.533 2.690 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)C1)N(C)C ZINC001366134886 1337395578 /nfs/dbraw/zinc/39/55/78/1337395578.db2.gz MPCDDTUHHUGLQA-GDLHICMESA-N 1 3 339.430 2.603 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001366173870 1337415587 /nfs/dbraw/zinc/41/55/87/1337415587.db2.gz UGCOJOHETRKLLB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001366173870 1337415589 /nfs/dbraw/zinc/41/55/89/1337415589.db2.gz UGCOJOHETRKLLB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(F)ccc1CN1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366178634 1337419711 /nfs/dbraw/zinc/41/97/11/1337419711.db2.gz NCGKABKPTIIYAC-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001366187109 1337426935 /nfs/dbraw/zinc/42/69/35/1337426935.db2.gz KLBOWXBKEOBCEH-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001366187109 1337426938 /nfs/dbraw/zinc/42/69/38/1337426938.db2.gz KLBOWXBKEOBCEH-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001366241272 1337472759 /nfs/dbraw/zinc/47/27/59/1337472759.db2.gz MZMSFUOCSKDXPY-BPCQOVAHSA-N 1 3 336.307 2.663 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001366282220 1337489008 /nfs/dbraw/zinc/48/90/08/1337489008.db2.gz DHCPSKKYKIIFJQ-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001366282226 1337489256 /nfs/dbraw/zinc/48/92/56/1337489256.db2.gz DHCPSKKYKIIFJQ-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001366286497 1337491744 /nfs/dbraw/zinc/49/17/44/1337491744.db2.gz MCQCGZMDXXXYFL-OAHLLOKOSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCc1cccs1 ZINC001366359515 1337534302 /nfs/dbraw/zinc/53/43/02/1337534302.db2.gz BDCKORFEFBLDMG-OAHLLOKOSA-N 1 3 345.512 2.760 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001366394573 1337556446 /nfs/dbraw/zinc/55/64/46/1337556446.db2.gz WCTIYQFIXFUJBN-CABCVRRESA-N 1 3 337.895 2.933 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001366394573 1337556448 /nfs/dbraw/zinc/55/64/48/1337556448.db2.gz WCTIYQFIXFUJBN-CABCVRRESA-N 1 3 337.895 2.933 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001366405162 1337561137 /nfs/dbraw/zinc/56/11/37/1337561137.db2.gz GCFGGDPZKTXQPS-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001366416863 1337567289 /nfs/dbraw/zinc/56/72/89/1337567289.db2.gz VHHFXZKGWFKAEB-IBGZPJMESA-N 1 3 331.504 2.529 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001366491425 1337631960 /nfs/dbraw/zinc/63/19/60/1337631960.db2.gz XWLDHRFGKNOPOW-KRWDZBQOSA-N 1 3 333.520 2.957 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001366510456 1337651022 /nfs/dbraw/zinc/65/10/22/1337651022.db2.gz OJHZESXOLZFSPO-WFASDCNBSA-N 1 3 345.940 2.972 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001366514241 1337655521 /nfs/dbraw/zinc/65/55/21/1337655521.db2.gz YHGHEYDZHYALQU-LPHOPBHVSA-N 1 3 331.504 2.890 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001366528844 1337666152 /nfs/dbraw/zinc/66/61/52/1337666152.db2.gz JMTGTZNPTXYQAI-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001366528844 1337666155 /nfs/dbraw/zinc/66/61/55/1337666155.db2.gz JMTGTZNPTXYQAI-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001366538317 1337673806 /nfs/dbraw/zinc/67/38/06/1337673806.db2.gz UEUCAONBAQMQCQ-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001366538317 1337673807 /nfs/dbraw/zinc/67/38/07/1337673807.db2.gz UEUCAONBAQMQCQ-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001366686114 1337862828 /nfs/dbraw/zinc/86/28/28/1337862828.db2.gz AHANUYZVECWYAM-RTBURBONSA-N 1 3 349.494 2.680 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001366686114 1337862831 /nfs/dbraw/zinc/86/28/31/1337862831.db2.gz AHANUYZVECWYAM-RTBURBONSA-N 1 3 349.494 2.680 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001366829229 1338081659 /nfs/dbraw/zinc/08/16/59/1338081659.db2.gz JVOHNCLDJLYHPL-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001366829229 1338081663 /nfs/dbraw/zinc/08/16/63/1338081663.db2.gz JVOHNCLDJLYHPL-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](C/C=C\Cl)C1)CC(C)(C)C ZINC001366847736 1338112447 /nfs/dbraw/zinc/11/24/47/1338112447.db2.gz SGZFJLKVTHYWHG-GTBONMDNSA-N 1 3 329.916 2.545 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1)CC(C)(C)C ZINC001366847736 1338112449 /nfs/dbraw/zinc/11/24/49/1338112449.db2.gz SGZFJLKVTHYWHG-GTBONMDNSA-N 1 3 329.916 2.545 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001366880164 1338157292 /nfs/dbraw/zinc/15/72/92/1338157292.db2.gz RNVXDUYEOVBUPJ-FSNWXROXSA-N 1 3 347.906 2.589 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001366880164 1338157294 /nfs/dbraw/zinc/15/72/94/1338157294.db2.gz RNVXDUYEOVBUPJ-FSNWXROXSA-N 1 3 347.906 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001366886072 1338167062 /nfs/dbraw/zinc/16/70/62/1338167062.db2.gz XOXNSJJGRWQYNI-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001366886072 1338167063 /nfs/dbraw/zinc/16/70/63/1338167063.db2.gz XOXNSJJGRWQYNI-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001366973266 1338233123 /nfs/dbraw/zinc/23/31/23/1338233123.db2.gz VBAIKFNPHSJWRN-FQEVSTJZSA-N 1 3 343.515 2.698 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001367062665 1338335017 /nfs/dbraw/zinc/33/50/17/1338335017.db2.gz YIZQBARFTZBNCQ-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001367084478 1338369852 /nfs/dbraw/zinc/36/98/52/1338369852.db2.gz ZDIODVQNDGALEQ-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001367084478 1338369856 /nfs/dbraw/zinc/36/98/56/1338369856.db2.gz ZDIODVQNDGALEQ-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001367097285 1338383024 /nfs/dbraw/zinc/38/30/24/1338383024.db2.gz HIOCJIDNWPUIIZ-MRXNPFEDSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1c(C)cccc1C ZINC001367099661 1338386545 /nfs/dbraw/zinc/38/65/45/1338386545.db2.gz HSGNDXPZUXUSKM-HKUYNNGSSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)ccc1C ZINC001367101683 1338387981 /nfs/dbraw/zinc/38/79/81/1338387981.db2.gz POJOWDBVBUEKBV-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)ccc1C ZINC001367101679 1338388499 /nfs/dbraw/zinc/38/84/99/1338388499.db2.gz POJOWDBVBUEKBV-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001367203251 1338510419 /nfs/dbraw/zinc/51/04/19/1338510419.db2.gz QCFCEXGPRKFYFA-MGPQQGTHSA-N 1 3 337.430 2.542 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001367216718 1338526380 /nfs/dbraw/zinc/52/63/80/1338526380.db2.gz UOTRDDVUVUJKAF-AEFFLSMTSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCCF)CC1 ZINC001367219051 1338528933 /nfs/dbraw/zinc/52/89/33/1338528933.db2.gz PHNLHLOXNSIGSL-GOSISDBHSA-N 1 3 341.515 2.827 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)c1 ZINC001367240191 1338544235 /nfs/dbraw/zinc/54/42/35/1338544235.db2.gz RCWMKHIGTOTGHZ-FQEVSTJZSA-N 1 3 329.488 2.646 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001367245714 1338548235 /nfs/dbraw/zinc/54/82/35/1338548235.db2.gz RTHFLBIVOGPVQW-MRXNPFEDSA-N 1 3 331.504 2.630 20 0 EFADHO CC(C)C[NH2+]C[C@@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001367248548 1338550248 /nfs/dbraw/zinc/55/02/48/1338550248.db2.gz VPJPWRKZLMMUDD-HXUWFJFHSA-N 1 3 331.504 2.892 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1csc(C)c1 ZINC001367260967 1338560543 /nfs/dbraw/zinc/56/05/43/1338560543.db2.gz NBTZPPOZUCGXRA-PBHICJAKSA-N 1 3 337.533 2.773 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001367293159 1338593009 /nfs/dbraw/zinc/59/30/09/1338593009.db2.gz VGQSPJVBXNFPMR-PBHICJAKSA-N 1 3 328.460 2.754 20 0 EFADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326435 1338625098 /nfs/dbraw/zinc/62/50/98/1338625098.db2.gz DXNKXINXAFWSPJ-HZPDHXFCSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326435 1338625102 /nfs/dbraw/zinc/62/51/02/1338625102.db2.gz DXNKXINXAFWSPJ-HZPDHXFCSA-N 1 3 347.478 2.857 20 0 EFADHO Cc1ccc(CN2CC3(C2)CCN(C(=O)CCC[NH+](C)C)CC3)cc1 ZINC001367335711 1338635035 /nfs/dbraw/zinc/63/50/35/1338635035.db2.gz KDFXQWONXMEVDH-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001367354880 1338650887 /nfs/dbraw/zinc/65/08/87/1338650887.db2.gz DETRTFVTTNHSDJ-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001367439149 1338742216 /nfs/dbraw/zinc/74/22/16/1338742216.db2.gz IWRJECQWKFSDEN-HWJGFJICSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001367482916 1338782702 /nfs/dbraw/zinc/78/27/02/1338782702.db2.gz MZKRWWPYANLCAU-IBGZPJMESA-N 1 3 342.487 2.808 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2ccccc2C2CC2)C1 ZINC001367537122 1338841494 /nfs/dbraw/zinc/84/14/94/1338841494.db2.gz QHFMDPJZMNSCJO-QGZVFWFLSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)Cc2ccccc2C2CC2)C1 ZINC001367537122 1338841499 /nfs/dbraw/zinc/84/14/99/1338841499.db2.gz QHFMDPJZMNSCJO-QGZVFWFLSA-N 1 3 343.515 2.796 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001367544412 1338850340 /nfs/dbraw/zinc/85/03/40/1338850340.db2.gz FTLJPCTXVGARAH-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001367544412 1338850346 /nfs/dbraw/zinc/85/03/46/1338850346.db2.gz FTLJPCTXVGARAH-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001367555223 1338867151 /nfs/dbraw/zinc/86/71/51/1338867151.db2.gz LYMKKLAGCFQKCG-WBVHZDCISA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001367555223 1338867155 /nfs/dbraw/zinc/86/71/55/1338867155.db2.gz LYMKKLAGCFQKCG-WBVHZDCISA-N 1 3 332.492 2.701 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001367638330 1338893521 /nfs/dbraw/zinc/89/35/21/1338893521.db2.gz LRGVQMRUBWHAQS-KUHUBIRLSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001367647691 1338902907 /nfs/dbraw/zinc/90/29/07/1338902907.db2.gz MLCOEFGAYOKLEI-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803890 1339023703 /nfs/dbraw/zinc/02/37/03/1339023703.db2.gz MHNICSKMPRZDTK-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803890 1339023707 /nfs/dbraw/zinc/02/37/07/1339023707.db2.gz MHNICSKMPRZDTK-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367820085 1339037081 /nfs/dbraw/zinc/03/70/81/1339037081.db2.gz HLPHELZQJDMMCI-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001367841069 1339058021 /nfs/dbraw/zinc/05/80/21/1339058021.db2.gz ZTTGMKNFHIYKAY-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001367841069 1339058024 /nfs/dbraw/zinc/05/80/24/1339058024.db2.gz ZTTGMKNFHIYKAY-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367845639 1339062081 /nfs/dbraw/zinc/06/20/81/1339062081.db2.gz OFFFCGHZEOHBBT-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367845639 1339062086 /nfs/dbraw/zinc/06/20/86/1339062086.db2.gz OFFFCGHZEOHBBT-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1)C1CCC1 ZINC001367899767 1339094444 /nfs/dbraw/zinc/09/44/44/1339094444.db2.gz NINGUFZUGXUUFJ-GOSISDBHSA-N 1 3 349.906 2.809 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2CCC2CCCCCC2)CC1 ZINC001367961744 1339130189 /nfs/dbraw/zinc/13/01/89/1339130189.db2.gz PKLMYGACHRFCSP-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001367996442 1339149807 /nfs/dbraw/zinc/14/98/07/1339149807.db2.gz JJDQHSFJFVKRQB-LJQANCHMSA-N 1 3 343.515 2.860 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001368035069 1339168728 /nfs/dbraw/zinc/16/87/28/1339168728.db2.gz IELVUKXYXXSLKS-SFHVURJKSA-N 1 3 331.504 2.628 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCN(C/C=C\Cl)C2CCCCCC2)C1 ZINC001368052160 1339178259 /nfs/dbraw/zinc/17/82/59/1339178259.db2.gz SWORHBVNGCKMKJ-DIEDAUMRSA-N 1 3 341.927 2.832 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCN(C/C=C\Cl)C2CCCCCC2)C1 ZINC001368052160 1339178260 /nfs/dbraw/zinc/17/82/60/1339178260.db2.gz SWORHBVNGCKMKJ-DIEDAUMRSA-N 1 3 341.927 2.832 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC001368058337 1339182025 /nfs/dbraw/zinc/18/20/25/1339182025.db2.gz IYRRVAOXECQDNW-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC001368058337 1339182026 /nfs/dbraw/zinc/18/20/26/1339182026.db2.gz IYRRVAOXECQDNW-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001368106121 1339196652 /nfs/dbraw/zinc/19/66/52/1339196652.db2.gz MELWNXBGTLUJNP-NVXWUHKLSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CC(C)C1)C1CCCC1 ZINC001368144968 1339217519 /nfs/dbraw/zinc/21/75/19/1339217519.db2.gz MYSKJWLKDJKYHM-LEHRNKBSSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368199796 1339250872 /nfs/dbraw/zinc/25/08/72/1339250872.db2.gz UKRWLBZDHVDNPJ-OXJNMPFZSA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001368206265 1339255021 /nfs/dbraw/zinc/25/50/21/1339255021.db2.gz GIBDSJKDKBRXCQ-LJQANCHMSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001368463284 1339400822 /nfs/dbraw/zinc/40/08/22/1339400822.db2.gz YOKJYBBSOQTNNH-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CCC1)N(C)C ZINC001368479548 1339416906 /nfs/dbraw/zinc/41/69/06/1339416906.db2.gz WNMCKDRWFNRNHV-MRXNPFEDSA-N 1 3 337.895 2.809 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCc2ccc(C)cc2)CC1 ZINC001368517182 1339451625 /nfs/dbraw/zinc/45/16/25/1339451625.db2.gz DCIZANYBSYOHAY-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccc(C)cc2)CC1 ZINC001368517182 1339451626 /nfs/dbraw/zinc/45/16/26/1339451626.db2.gz DCIZANYBSYOHAY-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001368522488 1339458350 /nfs/dbraw/zinc/45/83/50/1339458350.db2.gz MXKKIMLYADXYMY-VUBSUSDNSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001368522691 1339458700 /nfs/dbraw/zinc/45/87/00/1339458700.db2.gz FKDFUSRITGNQRB-LZUBRRHXSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368523927 1339461361 /nfs/dbraw/zinc/46/13/61/1339461361.db2.gz NQYSODWNDFUKRU-DKKFBQAASA-N 1 3 331.504 2.881 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001368545827 1339483786 /nfs/dbraw/zinc/48/37/86/1339483786.db2.gz LCWLWLQFKLWHPG-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001368545827 1339483788 /nfs/dbraw/zinc/48/37/88/1339483788.db2.gz LCWLWLQFKLWHPG-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001368556876 1339498273 /nfs/dbraw/zinc/49/82/73/1339498273.db2.gz LYDHCYTWNXNQPE-GOSISDBHSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001368556876 1339498276 /nfs/dbraw/zinc/49/82/76/1339498276.db2.gz LYDHCYTWNXNQPE-GOSISDBHSA-N 1 3 345.531 2.926 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368570544 1339519892 /nfs/dbraw/zinc/51/98/92/1339519892.db2.gz DHLUEXGNMJIGPG-RUCARUNLSA-N 1 3 343.515 2.718 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368607026 1339546934 /nfs/dbraw/zinc/54/69/34/1339546934.db2.gz NKPXFQLTBJGQCS-NSISKUIASA-N 1 3 345.531 2.820 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2Cl)C1 ZINC001368649063 1339564679 /nfs/dbraw/zinc/56/46/79/1339564679.db2.gz ACDJDHHWKIQYNU-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2Cl)C1 ZINC001368649063 1339564682 /nfs/dbraw/zinc/56/46/82/1339564682.db2.gz ACDJDHHWKIQYNU-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001368715019 1339635147 /nfs/dbraw/zinc/63/51/47/1339635147.db2.gz AGGVKFNHRSNLDZ-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001368719719 1339639405 /nfs/dbraw/zinc/63/94/05/1339639405.db2.gz WGJHNZNGGAMVCT-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001368729763 1339648892 /nfs/dbraw/zinc/64/88/92/1339648892.db2.gz POOMQXSYTRVKQK-WMLDXEAASA-N 1 3 337.895 2.727 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368790949 1339720801 /nfs/dbraw/zinc/72/08/01/1339720801.db2.gz BPGQYVKKSQWFFR-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1cccs1)C1CCC1 ZINC001368807767 1339745549 /nfs/dbraw/zinc/74/55/49/1339745549.db2.gz ROMMTSJOMRHFNK-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1cccs1)C1CCC1 ZINC001368807767 1339745552 /nfs/dbraw/zinc/74/55/52/1339745552.db2.gz ROMMTSJOMRHFNK-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809940 1339747428 /nfs/dbraw/zinc/74/74/28/1339747428.db2.gz JZBUWIFVFDVTPI-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809940 1339747432 /nfs/dbraw/zinc/74/74/32/1339747432.db2.gz JZBUWIFVFDVTPI-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001369088515 1339907877 /nfs/dbraw/zinc/90/78/77/1339907877.db2.gz NCHRDXZGNDBPFU-OXJNMPFZSA-N 1 3 345.531 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001369098597 1339914005 /nfs/dbraw/zinc/91/40/05/1339914005.db2.gz WKKCKYBZQSADQP-WQUMIJFDSA-N 1 3 343.515 2.867 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC(F)(F)F)C2)CCC1 ZINC001370294500 1340015065 /nfs/dbraw/zinc/01/50/65/1340015065.db2.gz GDFOPMVPUYQZRZ-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CCC(F)(F)F)C2)CCC1 ZINC001370294500 1340015069 /nfs/dbraw/zinc/01/50/69/1340015069.db2.gz GDFOPMVPUYQZRZ-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001370481680 1340095612 /nfs/dbraw/zinc/09/56/12/1340095612.db2.gz FWHUCVHXXXQKIG-UFYCRDLUSA-N 1 3 345.531 2.962 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370545938 1340127159 /nfs/dbraw/zinc/12/71/59/1340127159.db2.gz IEAOZJWBEORQFT-DWRORGKVSA-N 1 3 331.504 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001370757355 1340200122 /nfs/dbraw/zinc/20/01/22/1340200122.db2.gz ZKXHAEBIVVDHSN-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001370757355 1340200125 /nfs/dbraw/zinc/20/01/25/1340200125.db2.gz ZKXHAEBIVVDHSN-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001370774259 1340203505 /nfs/dbraw/zinc/20/35/05/1340203505.db2.gz ITSGQNNNFASYQX-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001370774259 1340203507 /nfs/dbraw/zinc/20/35/07/1340203507.db2.gz ITSGQNNNFASYQX-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2CC)C1 ZINC001370786158 1340209873 /nfs/dbraw/zinc/20/98/73/1340209873.db2.gz SFYCKQAUOHVRSS-GOSISDBHSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2CC)C1 ZINC001370786158 1340209878 /nfs/dbraw/zinc/20/98/78/1340209878.db2.gz SFYCKQAUOHVRSS-GOSISDBHSA-N 1 3 345.531 2.919 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370786686 1340210340 /nfs/dbraw/zinc/21/03/40/1340210340.db2.gz UJFXLMZZVHUNBL-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370786686 1340210341 /nfs/dbraw/zinc/21/03/41/1340210341.db2.gz UJFXLMZZVHUNBL-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001370787476 1340210415 /nfs/dbraw/zinc/21/04/15/1340210415.db2.gz VXWDHUCECWCWQJ-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001370787476 1340210418 /nfs/dbraw/zinc/21/04/18/1340210418.db2.gz VXWDHUCECWCWQJ-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](CCCF)C1 ZINC001370967101 1340312058 /nfs/dbraw/zinc/31/20/58/1340312058.db2.gz CXMZDFNSFXJQFR-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001370967101 1340312062 /nfs/dbraw/zinc/31/20/62/1340312062.db2.gz CXMZDFNSFXJQFR-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001371081277 1340353210 /nfs/dbraw/zinc/35/32/10/1340353210.db2.gz ZCWDIAWPUAGOBF-HTWSVDAQSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001371197809 1340410032 /nfs/dbraw/zinc/41/00/32/1340410032.db2.gz COCHXMCHAMBSAN-CQSZACIVSA-N 1 3 329.444 2.511 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001371432463 1340587166 /nfs/dbraw/zinc/58/71/66/1340587166.db2.gz TYDDOPAESZKPAG-KXBFYZLASA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001371870874 1340732745 /nfs/dbraw/zinc/73/27/45/1340732745.db2.gz YNRKPGKTPWEKOV-CJNGLKHVSA-N 1 3 325.884 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001373239877 1340963117 /nfs/dbraw/zinc/96/31/17/1340963117.db2.gz SXMGOHIMJZCAKG-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001373239877 1340963118 /nfs/dbraw/zinc/96/31/18/1340963118.db2.gz SXMGOHIMJZCAKG-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001373243636 1340965254 /nfs/dbraw/zinc/96/52/54/1340965254.db2.gz GHUVTBHLQCIJRG-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001373243636 1340965255 /nfs/dbraw/zinc/96/52/55/1340965255.db2.gz GHUVTBHLQCIJRG-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373513358 1341041725 /nfs/dbraw/zinc/04/17/25/1341041725.db2.gz HPIKJTXQQKXASE-OALUTQOASA-N 1 3 331.504 2.772 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001373561388 1341054044 /nfs/dbraw/zinc/05/40/44/1341054044.db2.gz QPTCGUDWTTXFHG-GOSISDBHSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594463 1341064176 /nfs/dbraw/zinc/06/41/76/1341064176.db2.gz UTBZRNLGLFVPPS-NEWSRXKRSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594463 1341064178 /nfs/dbraw/zinc/06/41/78/1341064178.db2.gz UTBZRNLGLFVPPS-NEWSRXKRSA-N 1 3 331.504 2.833 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001373611573 1341070055 /nfs/dbraw/zinc/07/00/55/1341070055.db2.gz AROSWFOSSLZNGB-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001373611573 1341070057 /nfs/dbraw/zinc/07/00/57/1341070057.db2.gz AROSWFOSSLZNGB-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)c1 ZINC001373614803 1341071271 /nfs/dbraw/zinc/07/12/71/1341071271.db2.gz WHDQACQSNNDGJW-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001373639939 1341079245 /nfs/dbraw/zinc/07/92/45/1341079245.db2.gz OEQFORONNZQJLD-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001373639939 1341079246 /nfs/dbraw/zinc/07/92/46/1341079246.db2.gz OEQFORONNZQJLD-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373679618 1341096659 /nfs/dbraw/zinc/09/66/59/1341096659.db2.gz JXVKLIYFWLEQBX-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373679618 1341096661 /nfs/dbraw/zinc/09/66/61/1341096661.db2.gz JXVKLIYFWLEQBX-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373689490 1341102886 /nfs/dbraw/zinc/10/28/86/1341102886.db2.gz VGWFVRIGEBAPLX-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373689490 1341102888 /nfs/dbraw/zinc/10/28/88/1341102888.db2.gz VGWFVRIGEBAPLX-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001373788947 1341147680 /nfs/dbraw/zinc/14/76/80/1341147680.db2.gz BKXVTPWZVDJGJV-RTBURBONSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1c(C)cccc1Cl ZINC001373799797 1341152884 /nfs/dbraw/zinc/15/28/84/1341152884.db2.gz WVFMSUFKCOQAAT-PBHICJAKSA-N 1 3 339.911 2.973 20 0 EFADHO C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001373913829 1341201012 /nfs/dbraw/zinc/20/10/12/1341201012.db2.gz ZHECXMCOYGOZRK-IAGOWNOFSA-N 1 3 340.471 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001373923442 1341205238 /nfs/dbraw/zinc/20/52/38/1341205238.db2.gz KVEAECYKZANXDW-BZUAXINKSA-N 1 3 345.478 2.635 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001373924260 1341205759 /nfs/dbraw/zinc/20/57/59/1341205759.db2.gz UUGGUAKWQAXMNR-FHWLQOOXSA-N 1 3 331.504 2.852 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001373936214 1341219888 /nfs/dbraw/zinc/21/98/88/1341219888.db2.gz VJTLQCOJHJXGCJ-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CC1CCN(CC(=O)NCCC2CC[NH+](C/C=C/Cl)CC2)CC1 ZINC001373949235 1341239847 /nfs/dbraw/zinc/23/98/47/1341239847.db2.gz NSQYPYQDQFCZJK-KRXBUXKQSA-N 1 3 341.927 2.689 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001373968297 1341262003 /nfs/dbraw/zinc/26/20/03/1341262003.db2.gz HEZKFCKWRYDPDF-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374017649 1341305854 /nfs/dbraw/zinc/30/58/54/1341305854.db2.gz WWFDQFIUTQKCOJ-MAUKXSAKSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374025074 1341313384 /nfs/dbraw/zinc/31/33/84/1341313384.db2.gz IWPPRNGGQUUMAV-PBHICJAKSA-N 1 3 339.911 2.768 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001374028239 1341317631 /nfs/dbraw/zinc/31/76/31/1341317631.db2.gz QQPYWZNJGXMSJM-ZBFHGGJFSA-N 1 3 347.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001374072330 1341364428 /nfs/dbraw/zinc/36/44/28/1341364428.db2.gz LJURSKHTZYBMPG-OXQOHEQNSA-N 1 3 345.531 2.603 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001374078271 1341371345 /nfs/dbraw/zinc/37/13/45/1341371345.db2.gz NSZIXSSTVLZFAE-YOEHRIQHSA-N 1 3 331.460 2.615 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1ccc(F)cc1 ZINC001374083143 1341378771 /nfs/dbraw/zinc/37/87/71/1341378771.db2.gz YWHCYGKUEXPVOX-OAHLLOKOSA-N 1 3 337.483 2.646 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001374098901 1341402519 /nfs/dbraw/zinc/40/25/19/1341402519.db2.gz PNMXVLMPPMSLER-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CCCC1)N(C)C ZINC001374178043 1341516958 /nfs/dbraw/zinc/51/69/58/1341516958.db2.gz OTHNTQPZKOJAHR-LJQANCHMSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCCC1)N(C)C ZINC001374178338 1341517801 /nfs/dbraw/zinc/51/78/01/1341517801.db2.gz WMASLQVGZLECGK-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001374236052 1341589554 /nfs/dbraw/zinc/58/95/54/1341589554.db2.gz WDNBJDPTJVCSMN-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374321040 1341718873 /nfs/dbraw/zinc/71/88/73/1341718873.db2.gz NDRBNACDLHYVMZ-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cs1 ZINC001392226546 1355880745 /nfs/dbraw/zinc/88/07/45/1355880745.db2.gz ABESGPKWDUXYJU-MRXNPFEDSA-N 1 3 337.533 2.771 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001392233039 1355888838 /nfs/dbraw/zinc/88/88/38/1355888838.db2.gz MFDIMPBRJNRBBS-IBGZPJMESA-N 1 3 349.494 2.849 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001374376929 1341825600 /nfs/dbraw/zinc/82/56/00/1341825600.db2.gz JOMDAVWWKYTSGQ-TZMCWYRMSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001374376927 1341825718 /nfs/dbraw/zinc/82/57/18/1341825718.db2.gz JOMDAVWWKYTSGQ-OCCSQVGLSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001374376925 1341825730 /nfs/dbraw/zinc/82/57/30/1341825730.db2.gz JOMDAVWWKYTSGQ-JSGCOSHPSA-N 1 3 348.318 2.616 20 0 EFADHO CCc1cccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)c1 ZINC001374428563 1341910320 /nfs/dbraw/zinc/91/03/20/1341910320.db2.gz WBUOMNGHKLRRDM-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1Cl)C(C)C)N(C)C ZINC001374443495 1341927587 /nfs/dbraw/zinc/92/75/87/1341927587.db2.gz KPGAFCPDDHPHJF-SJORKVTESA-N 1 3 339.911 2.911 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470098 1341949514 /nfs/dbraw/zinc/94/95/14/1341949514.db2.gz CUFVXGMERIERAK-YOEHRIQHSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001374470098 1341949518 /nfs/dbraw/zinc/94/95/18/1341949518.db2.gz CUFVXGMERIERAK-YOEHRIQHSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN(C)CC(C)(C)C ZINC001392593567 1356144463 /nfs/dbraw/zinc/14/44/63/1356144463.db2.gz RQPGVOALSPUJRO-AWEZNQCLSA-N 1 3 339.911 2.912 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@@H]2CCCc3ccccc32)CCC1 ZINC001374498623 1341982348 /nfs/dbraw/zinc/98/23/48/1341982348.db2.gz FOSBJBMCDMQMGW-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@@H]2CCCc3ccccc32)CCC1 ZINC001374498623 1341982351 /nfs/dbraw/zinc/98/23/51/1341982351.db2.gz FOSBJBMCDMQMGW-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001374507281 1341997391 /nfs/dbraw/zinc/99/73/91/1341997391.db2.gz RALAXJDCDRFTER-OAHLLOKOSA-N 1 3 333.467 2.542 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001374507281 1341997394 /nfs/dbraw/zinc/99/73/94/1341997394.db2.gz RALAXJDCDRFTER-OAHLLOKOSA-N 1 3 333.467 2.542 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001374529923 1342026781 /nfs/dbraw/zinc/02/67/81/1342026781.db2.gz JYGUWGLXHBAGJT-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)Cc1ccc2c(c1)CCC2)[NH+](C)C ZINC001374551664 1342060650 /nfs/dbraw/zinc/06/06/50/1342060650.db2.gz ZWIUIFZCFVLWQZ-HXUWFJFHSA-N 1 3 345.531 2.652 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001374551643 1342060914 /nfs/dbraw/zinc/06/09/14/1342060914.db2.gz ZNNVJBGIVRSHGC-IBGZPJMESA-N 1 3 333.520 2.780 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001374748845 1342150529 /nfs/dbraw/zinc/15/05/29/1342150529.db2.gz GUWUZKOMPKNPJT-DYVFJYSZSA-N 1 3 341.446 2.804 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001374896225 1342228831 /nfs/dbraw/zinc/22/88/31/1342228831.db2.gz YNQFIKTWUAIWDJ-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001374896214 1342229089 /nfs/dbraw/zinc/22/90/89/1342229089.db2.gz YNQFIKTWUAIWDJ-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001374932820 1342249988 /nfs/dbraw/zinc/24/99/88/1342249988.db2.gz AYHPFBQZURPZIL-BBRMVZONSA-N 1 3 325.884 2.583 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001374936670 1342252252 /nfs/dbraw/zinc/25/22/52/1342252252.db2.gz ZGFLLYYWKFIARN-DOXZYTNZSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051938 1342353425 /nfs/dbraw/zinc/35/34/25/1342353425.db2.gz BQAWJUDVPMNWPI-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051938 1342353427 /nfs/dbraw/zinc/35/34/27/1342353427.db2.gz BQAWJUDVPMNWPI-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051936 1342353603 /nfs/dbraw/zinc/35/36/03/1342353603.db2.gz BQAWJUDVPMNWPI-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051936 1342353607 /nfs/dbraw/zinc/35/36/07/1342353607.db2.gz BQAWJUDVPMNWPI-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052744 1342355079 /nfs/dbraw/zinc/35/50/79/1342355079.db2.gz DJIRATXZFLAJPO-VGMNTSGFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052744 1342355084 /nfs/dbraw/zinc/35/50/84/1342355084.db2.gz DJIRATXZFLAJPO-VGMNTSGFSA-N 1 3 329.488 2.621 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001375151611 1342466671 /nfs/dbraw/zinc/46/66/71/1342466671.db2.gz UQHWKSQMELPSDL-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001375151611 1342466673 /nfs/dbraw/zinc/46/66/73/1342466673.db2.gz UQHWKSQMELPSDL-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001375151610 1342466847 /nfs/dbraw/zinc/46/68/47/1342466847.db2.gz UQHWKSQMELPSDL-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001375151610 1342466849 /nfs/dbraw/zinc/46/68/49/1342466849.db2.gz UQHWKSQMELPSDL-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375151614 1342466948 /nfs/dbraw/zinc/46/69/48/1342466948.db2.gz UQHWKSQMELPSDL-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375151614 1342466951 /nfs/dbraw/zinc/46/69/51/1342466951.db2.gz UQHWKSQMELPSDL-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001375176056 1342492053 /nfs/dbraw/zinc/49/20/53/1342492053.db2.gz IKWCWNXDMFFBEF-MOPGFXCFSA-N 1 3 331.504 2.793 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC001375227468 1342529930 /nfs/dbraw/zinc/52/99/30/1342529930.db2.gz DCMONUVITCKXFC-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375293114 1342600011 /nfs/dbraw/zinc/60/00/11/1342600011.db2.gz ZOVHISBCASPELM-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CCCc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC001375419603 1342723048 /nfs/dbraw/zinc/72/30/48/1342723048.db2.gz DUJKHABCCVJZEM-VQIMIIECSA-N 1 3 343.515 2.718 20 0 EFADHO CCCc1ccc(CNC2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC001375419603 1342723057 /nfs/dbraw/zinc/72/30/57/1342723057.db2.gz DUJKHABCCVJZEM-VQIMIIECSA-N 1 3 343.515 2.718 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001375424291 1342727193 /nfs/dbraw/zinc/72/71/93/1342727193.db2.gz CLKTYSCZRVAHNL-INIZCTEOSA-N 1 3 335.517 2.669 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001375424291 1342727198 /nfs/dbraw/zinc/72/71/98/1342727198.db2.gz CLKTYSCZRVAHNL-INIZCTEOSA-N 1 3 335.517 2.669 20 0 EFADHO Cc1cc(F)ccc1CNC1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001375493882 1342799969 /nfs/dbraw/zinc/79/99/69/1342799969.db2.gz NQQOOATXZBMCGZ-UHFFFAOYSA-N 1 3 347.478 2.604 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001375518150 1342827293 /nfs/dbraw/zinc/82/72/93/1342827293.db2.gz NQKXRHJZHLCBOE-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001375518150 1342827300 /nfs/dbraw/zinc/82/73/00/1342827300.db2.gz NQKXRHJZHLCBOE-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1)N1CCCCCC1 ZINC001375541275 1342853750 /nfs/dbraw/zinc/85/37/50/1342853750.db2.gz DVSHUHMAUBLRBV-AWEZNQCLSA-N 1 3 343.462 2.535 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001375545712 1342858167 /nfs/dbraw/zinc/85/81/67/1342858167.db2.gz VSEUGJDYVNRZEM-YSSFQJQWSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001375547174 1342860040 /nfs/dbraw/zinc/86/00/40/1342860040.db2.gz YQKWGSXNIAPFDE-MISYRCLQSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001375548384 1342862266 /nfs/dbraw/zinc/86/22/66/1342862266.db2.gz FOFRNOQCEKVBDT-LSOMNZGLSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001375551725 1342866039 /nfs/dbraw/zinc/86/60/39/1342866039.db2.gz WAMKJWXOOZHUJP-FHWLQOOXSA-N 1 3 331.504 2.574 20 0 EFADHO CCCC[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001375595271 1342912126 /nfs/dbraw/zinc/91/21/26/1342912126.db2.gz CZFYAWOBZASQLE-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001375595271 1342912130 /nfs/dbraw/zinc/91/21/30/1342912130.db2.gz CZFYAWOBZASQLE-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001375776419 1342997830 /nfs/dbraw/zinc/99/78/30/1342997830.db2.gz ZRGGMNLMODYSFR-GOSISDBHSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001375888931 1343134712 /nfs/dbraw/zinc/13/47/12/1343134712.db2.gz KNYAHLOZTALTTA-IFXJQAMLSA-N 1 3 344.434 2.681 20 0 EFADHO CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001375914812 1343162798 /nfs/dbraw/zinc/16/27/98/1343162798.db2.gz ASNKOHDHHZAKQB-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001375925395 1343173122 /nfs/dbraw/zinc/17/31/22/1343173122.db2.gz DYLCABFCAOPPJA-DAWZGUTISA-N 1 3 337.552 2.837 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001376061680 1343294335 /nfs/dbraw/zinc/29/43/35/1343294335.db2.gz STDXDLLXVPXTGW-PKOBYXMFSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001376064498 1343298226 /nfs/dbraw/zinc/29/82/26/1343298226.db2.gz RRMBCEKPGQTNAZ-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001376068079 1343302102 /nfs/dbraw/zinc/30/21/02/1343302102.db2.gz HFVOTTGYMOKKAR-FQEVSTJZSA-N 1 3 343.515 2.686 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376140129 1343349565 /nfs/dbraw/zinc/34/95/65/1343349565.db2.gz CZOWTHLQXOEBET-WOJBJXKFSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376140129 1343349566 /nfs/dbraw/zinc/34/95/66/1343349566.db2.gz CZOWTHLQXOEBET-WOJBJXKFSA-N 1 3 345.531 2.568 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376151395 1343357235 /nfs/dbraw/zinc/35/72/35/1343357235.db2.gz NUIJMBZXYQOXJX-UZLBHIALSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376153263 1343358754 /nfs/dbraw/zinc/35/87/54/1343358754.db2.gz DORICGHAAZIMLP-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)C1 ZINC001393752678 1357125968 /nfs/dbraw/zinc/12/59/68/1357125968.db2.gz VPEHAQISMKKAET-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)[C@@H](C)C1 ZINC001393752678 1357125972 /nfs/dbraw/zinc/12/59/72/1357125972.db2.gz VPEHAQISMKKAET-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC23CC[NH+](CC2CCCC2)CC3)CCC1 ZINC001376176043 1343376570 /nfs/dbraw/zinc/37/65/70/1343376570.db2.gz VZUNGVQHETVYRT-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001376259774 1343434716 /nfs/dbraw/zinc/43/47/16/1343434716.db2.gz UWPKRDOAFXQQSC-IRXDYDNUSA-N 1 3 337.533 2.627 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)s1)C1CC1)N(C)C ZINC001376265143 1343438362 /nfs/dbraw/zinc/43/83/62/1343438362.db2.gz VMMJRGITCNCUMP-KGLIPLIRSA-N 1 3 343.924 2.726 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001376546330 1343668329 /nfs/dbraw/zinc/66/83/29/1343668329.db2.gz YBCCSWXRWHZAKC-IBGZPJMESA-N 1 3 345.531 2.993 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001376546330 1343668330 /nfs/dbraw/zinc/66/83/30/1343668330.db2.gz YBCCSWXRWHZAKC-IBGZPJMESA-N 1 3 345.531 2.993 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC001376703223 1343773391 /nfs/dbraw/zinc/77/33/91/1343773391.db2.gz AVOIGJMHFPZXKF-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376851592 1343891842 /nfs/dbraw/zinc/89/18/42/1343891842.db2.gz UOWPSVFTQHAQAG-RHSMWYFYSA-N 1 3 339.911 2.829 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001376876377 1343912354 /nfs/dbraw/zinc/91/23/54/1343912354.db2.gz IKDSPABGTCCBHW-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001393786979 1357156243 /nfs/dbraw/zinc/15/62/43/1357156243.db2.gz LJWZAFGSVAKSFH-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@@H](C)C1 ZINC001393786979 1357156244 /nfs/dbraw/zinc/15/62/44/1357156244.db2.gz LJWZAFGSVAKSFH-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912180 1343951268 /nfs/dbraw/zinc/95/12/68/1343951268.db2.gz UNVSEDQPAILHDK-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912180 1343951271 /nfs/dbraw/zinc/95/12/71/1343951271.db2.gz UNVSEDQPAILHDK-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001376915541 1343953398 /nfs/dbraw/zinc/95/33/98/1343953398.db2.gz WQHXLXOLLIHODL-MEMKZHQFSA-N 1 3 327.900 2.586 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)cc1F ZINC001376938062 1343969806 /nfs/dbraw/zinc/96/98/06/1343969806.db2.gz GUYXLRFMAROVOF-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)cc1F ZINC001376938062 1343969809 /nfs/dbraw/zinc/96/98/09/1343969809.db2.gz GUYXLRFMAROVOF-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001393790421 1357159903 /nfs/dbraw/zinc/15/99/03/1357159903.db2.gz URHILXWLUZOLNB-AZUAARDMSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001393790421 1357159905 /nfs/dbraw/zinc/15/99/05/1357159905.db2.gz URHILXWLUZOLNB-AZUAARDMSA-N 1 3 345.531 2.848 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001376968776 1343997626 /nfs/dbraw/zinc/99/76/26/1343997626.db2.gz WUXDVAMRCKACPT-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001377003523 1344047739 /nfs/dbraw/zinc/04/77/39/1344047739.db2.gz KBQQKWFQKIFWNY-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001377003523 1344047743 /nfs/dbraw/zinc/04/77/43/1344047743.db2.gz KBQQKWFQKIFWNY-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001377092848 1344128358 /nfs/dbraw/zinc/12/83/58/1344128358.db2.gz LYFKMWHMAQRKRS-MAUKXSAKSA-N 1 3 337.483 2.705 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001377152890 1344141058 /nfs/dbraw/zinc/14/10/58/1344141058.db2.gz ZGZKAGJHBARHPN-SFHVURJKSA-N 1 3 335.467 2.577 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001377152890 1344141062 /nfs/dbraw/zinc/14/10/62/1344141062.db2.gz ZGZKAGJHBARHPN-SFHVURJKSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+]([C@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001377552068 1344170306 /nfs/dbraw/zinc/17/03/06/1344170306.db2.gz DKFKFWFNYPOXTA-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+]([C@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001377552068 1344170309 /nfs/dbraw/zinc/17/03/09/1344170309.db2.gz DKFKFWFNYPOXTA-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001393804819 1357170521 /nfs/dbraw/zinc/17/05/21/1357170521.db2.gz QZKYLLMTDUNZHB-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001393804822 1357170526 /nfs/dbraw/zinc/17/05/26/1357170526.db2.gz QZKYLLMTDUNZHB-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001377609408 1344216661 /nfs/dbraw/zinc/21/66/61/1344216661.db2.gz NVRVGXRNTPLRSK-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1 ZINC001377637812 1344247274 /nfs/dbraw/zinc/24/72/74/1344247274.db2.gz DOXLGTCLAFSVQS-BGYRXZFFSA-N 1 3 343.515 2.636 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1 ZINC001377637812 1344247281 /nfs/dbraw/zinc/24/72/81/1344247281.db2.gz DOXLGTCLAFSVQS-BGYRXZFFSA-N 1 3 343.515 2.636 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001377641014 1344251528 /nfs/dbraw/zinc/25/15/28/1344251528.db2.gz OPXUIUFTISXLTR-MSOLQXFVSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001377641014 1344251532 /nfs/dbraw/zinc/25/15/32/1344251532.db2.gz OPXUIUFTISXLTR-MSOLQXFVSA-N 1 3 325.541 2.932 20 0 EFADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001377669775 1344296608 /nfs/dbraw/zinc/29/66/08/1344296608.db2.gz CKLVQUPNSOKTDT-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2F)C1)N(C)C ZINC001377712285 1344357688 /nfs/dbraw/zinc/35/76/88/1344357688.db2.gz WJHOFEBVVDWAFV-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)N(C)C ZINC001377712285 1344357691 /nfs/dbraw/zinc/35/76/91/1344357691.db2.gz WJHOFEBVVDWAFV-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001377756335 1344403327 /nfs/dbraw/zinc/40/33/27/1344403327.db2.gz BSSIYRXRXLOVDZ-UXHZXRBQSA-N 1 3 341.927 2.785 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001377761278 1344411213 /nfs/dbraw/zinc/41/12/13/1344411213.db2.gz ONHFEKZSSVVGHK-FQEVSTJZSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001377761278 1344411217 /nfs/dbraw/zinc/41/12/17/1344411217.db2.gz ONHFEKZSSVVGHK-FQEVSTJZSA-N 1 3 345.531 2.926 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CCC3CC3)C2)c1 ZINC001377776800 1344425264 /nfs/dbraw/zinc/42/52/64/1344425264.db2.gz BOZPOTDPAVVFHZ-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CCC3CC3)C2)c1 ZINC001377776800 1344425267 /nfs/dbraw/zinc/42/52/67/1344425267.db2.gz BOZPOTDPAVVFHZ-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001378019911 1344670110 /nfs/dbraw/zinc/67/01/10/1344670110.db2.gz HKYXYUGYRYTESD-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001378037379 1344688184 /nfs/dbraw/zinc/68/81/84/1344688184.db2.gz MSVCDZABHXPUSM-BJLQDIEVSA-N 1 3 341.499 2.691 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378062398 1344714252 /nfs/dbraw/zinc/71/42/52/1344714252.db2.gz CZOWTHLQXOEBET-PMACEKPBSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378062398 1344714256 /nfs/dbraw/zinc/71/42/56/1344714256.db2.gz CZOWTHLQXOEBET-PMACEKPBSA-N 1 3 345.531 2.568 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001378072795 1344728889 /nfs/dbraw/zinc/72/88/89/1344728889.db2.gz DMJZNOJCZCLWEW-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001378072795 1344728894 /nfs/dbraw/zinc/72/88/94/1344728894.db2.gz DMJZNOJCZCLWEW-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001378090115 1344747122 /nfs/dbraw/zinc/74/71/22/1344747122.db2.gz TWDFULJTCXBVKW-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1Cl)N(C)C ZINC001378132299 1344794630 /nfs/dbraw/zinc/79/46/30/1344794630.db2.gz UOJBFGHAVGYPSY-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1Cl)N(C)C ZINC001378132299 1344794633 /nfs/dbraw/zinc/79/46/33/1344794633.db2.gz UOJBFGHAVGYPSY-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378184179 1344857494 /nfs/dbraw/zinc/85/74/94/1344857494.db2.gz MTPBJHPINNFSND-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378184179 1344857496 /nfs/dbraw/zinc/85/74/96/1344857496.db2.gz MTPBJHPINNFSND-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)N(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001378199797 1344877293 /nfs/dbraw/zinc/87/72/93/1344877293.db2.gz PFJAELHAUQOKOZ-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2csc(C)c2)CCCC1 ZINC001378373446 1345021247 /nfs/dbraw/zinc/02/12/47/1345021247.db2.gz KVFDTLPABQIQJR-UHFFFAOYSA-N 1 3 337.533 2.917 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)c1 ZINC001378373389 1345021420 /nfs/dbraw/zinc/02/14/20/1345021420.db2.gz DQAWUVNOVWDIDF-IBGZPJMESA-N 1 3 342.487 2.924 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)C1CCC1 ZINC001378439076 1345077157 /nfs/dbraw/zinc/07/71/57/1345077157.db2.gz KZQOFGAMRQYWCN-IYARVYRRSA-N 1 3 329.488 2.688 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001378443329 1345080633 /nfs/dbraw/zinc/08/06/33/1345080633.db2.gz ZHXAXILDSNDCQZ-RBSFLKMASA-N 1 3 349.441 2.829 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NCCC1CCN(CCF)CC1 ZINC001378483754 1345115773 /nfs/dbraw/zinc/11/57/73/1345115773.db2.gz WMDLWRGSUMNCCH-UHFFFAOYSA-N 1 3 349.494 2.592 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001378536779 1345147220 /nfs/dbraw/zinc/14/72/20/1345147220.db2.gz VOFOEWNQYRUPEP-WBVHZDCISA-N 1 3 325.541 2.835 20 0 EFADHO CCc1ccc(CC[NH+]2CC([C@H](C)NC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001378581708 1345177913 /nfs/dbraw/zinc/17/79/13/1345177913.db2.gz LDOBAWXDDNEXNH-JXFKEZNVSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001378586472 1345181826 /nfs/dbraw/zinc/18/18/26/1345181826.db2.gz ZPNNEKUJRBGUCE-AEFFLSMTSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001378590194 1345183482 /nfs/dbraw/zinc/18/34/82/1345183482.db2.gz SNMAIQLMJZICRB-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001378614598 1345199175 /nfs/dbraw/zinc/19/91/75/1345199175.db2.gz NTKDRDVCXFNLAS-MJGOQNOKSA-N 1 3 333.520 2.732 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001378714159 1345268968 /nfs/dbraw/zinc/26/89/68/1345268968.db2.gz GJYYOXIFORGXPZ-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](C[C@H](C)CC(C)C)C2)CC1 ZINC001378734318 1345282764 /nfs/dbraw/zinc/28/27/64/1345282764.db2.gz VRXWIUMQUCBDPQ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378771270 1345304724 /nfs/dbraw/zinc/30/47/24/1345304724.db2.gz CPUGGAVYTFPIQK-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2F)N(C)C(=O)CN(C)C1CCC1 ZINC001378779503 1345309974 /nfs/dbraw/zinc/30/99/74/1345309974.db2.gz WVGRBOQKXYSJJM-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001378796346 1345319981 /nfs/dbraw/zinc/31/99/81/1345319981.db2.gz NFOOIARLWAKENP-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC(C)C)C2 ZINC001378796346 1345319985 /nfs/dbraw/zinc/31/99/85/1345319985.db2.gz NFOOIARLWAKENP-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001378845192 1345357687 /nfs/dbraw/zinc/35/76/87/1345357687.db2.gz TXBLPSSDTOOCEJ-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001378845185 1345358023 /nfs/dbraw/zinc/35/80/23/1345358023.db2.gz TXBLPSSDTOOCEJ-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001378846471 1345359297 /nfs/dbraw/zinc/35/92/97/1345359297.db2.gz RGUNYCQDRZYDFR-LRDDRELGSA-N 1 3 343.874 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001378931506 1345437130 /nfs/dbraw/zinc/43/71/30/1345437130.db2.gz ZIKKTKCCXLIZGF-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001379031817 1345513389 /nfs/dbraw/zinc/51/33/89/1345513389.db2.gz KALNCJHIFUNXQL-LJQANCHMSA-N 1 3 331.504 2.596 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001379031817 1345513392 /nfs/dbraw/zinc/51/33/92/1345513392.db2.gz KALNCJHIFUNXQL-LJQANCHMSA-N 1 3 331.504 2.596 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001393882053 1357248170 /nfs/dbraw/zinc/24/81/70/1357248170.db2.gz JNSXLDPZAQREME-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001393882053 1357248173 /nfs/dbraw/zinc/24/81/73/1357248173.db2.gz JNSXLDPZAQREME-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001379074564 1345555081 /nfs/dbraw/zinc/55/50/81/1345555081.db2.gz JXPMHCVXKKLXSJ-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001379074564 1345555085 /nfs/dbraw/zinc/55/50/85/1345555085.db2.gz JXPMHCVXKKLXSJ-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001379089448 1345565312 /nfs/dbraw/zinc/56/53/12/1345565312.db2.gz PNAMVNFRSRBJOK-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001379100353 1345576915 /nfs/dbraw/zinc/57/69/15/1345576915.db2.gz SIACZOVHHYICSH-BQHJZSHBSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001379100353 1345576917 /nfs/dbraw/zinc/57/69/17/1345576917.db2.gz SIACZOVHHYICSH-BQHJZSHBSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001379127145 1345605458 /nfs/dbraw/zinc/60/54/58/1345605458.db2.gz RAGFPXIIMRKFEG-IBGZPJMESA-N 1 3 331.504 2.796 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001379127145 1345605460 /nfs/dbraw/zinc/60/54/60/1345605460.db2.gz RAGFPXIIMRKFEG-IBGZPJMESA-N 1 3 331.504 2.796 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001379142822 1345619964 /nfs/dbraw/zinc/61/99/64/1345619964.db2.gz BGHIFSPYGJTMCM-UEOUDEGLSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCc1cccs1 ZINC001379215668 1345663234 /nfs/dbraw/zinc/66/32/34/1345663234.db2.gz HPUJZXISGXRAAR-OAHLLOKOSA-N 1 3 339.549 2.705 20 0 EFADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccccc1Cl ZINC001379232033 1345671511 /nfs/dbraw/zinc/67/15/11/1345671511.db2.gz VDLXDFRKVHSSGT-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001379232038 1345671910 /nfs/dbraw/zinc/67/19/10/1345671910.db2.gz VDMPQBMRIRZJAK-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cs1 ZINC001393888254 1357258146 /nfs/dbraw/zinc/25/81/46/1357258146.db2.gz XPRVFBMJVQBSTJ-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001379329584 1345732713 /nfs/dbraw/zinc/73/27/13/1345732713.db2.gz YAPXYDOZGOKORW-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001379420447 1345775354 /nfs/dbraw/zinc/77/53/54/1345775354.db2.gz RAIWXACPPXNHTP-OAHLLOKOSA-N 1 3 337.483 2.728 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001379555236 1345855991 /nfs/dbraw/zinc/85/59/91/1345855991.db2.gz YYVZASUGHYKISZ-BMGDILEWSA-N 1 3 337.483 2.957 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001379596502 1345906936 /nfs/dbraw/zinc/90/69/36/1345906936.db2.gz GMKGGKZZFFORJP-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001419631220 1375593412 /nfs/dbraw/zinc/59/34/12/1375593412.db2.gz IQDRMVCXZCJRSO-HOTGVXAUSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001419631220 1375593421 /nfs/dbraw/zinc/59/34/21/1375593421.db2.gz IQDRMVCXZCJRSO-HOTGVXAUSA-N 1 3 329.504 2.541 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001379906543 1347399235 /nfs/dbraw/zinc/39/92/35/1347399235.db2.gz DJQQWQNSRKAPMF-SFHVURJKSA-N 1 3 346.519 2.961 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1 ZINC001380077601 1347504043 /nfs/dbraw/zinc/50/40/43/1347504043.db2.gz FOZOTBGBYLGKLX-IUYMFKLXSA-N 1 3 341.499 2.813 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CC1 ZINC001380080344 1347506289 /nfs/dbraw/zinc/50/62/89/1347506289.db2.gz PHQFAKKSNMBFMG-QGZVFWFLSA-N 1 3 349.544 2.978 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(OC)cc1)C(C)(C)C)N(C)C ZINC001380092128 1347511956 /nfs/dbraw/zinc/51/19/56/1347511956.db2.gz YEYRWJXUSRXCMJ-ZWKOTPCHSA-N 1 3 349.519 2.656 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(NCc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001380098710 1347514694 /nfs/dbraw/zinc/51/46/94/1347514694.db2.gz KBVGIOGULYIZDF-INIZCTEOSA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1F)N(C)C ZINC001380192547 1347555034 /nfs/dbraw/zinc/55/50/34/1347555034.db2.gz XCEPBTADXYAODD-SFHVURJKSA-N 1 3 335.467 2.672 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C[C@H]1C ZINC001380262161 1347560115 /nfs/dbraw/zinc/56/01/15/1347560115.db2.gz DFQYJWROGNNXKE-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1 ZINC001380288892 1347570709 /nfs/dbraw/zinc/57/07/09/1347570709.db2.gz YZXNJERQGORDES-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380309421 1347582492 /nfs/dbraw/zinc/58/24/92/1347582492.db2.gz PZIPHPOTQCHUBH-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380309420 1347582499 /nfs/dbraw/zinc/58/24/99/1347582499.db2.gz PZIPHPOTQCHUBH-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001380392751 1347643002 /nfs/dbraw/zinc/64/30/02/1347643002.db2.gz ALVPAVBTVLPRRL-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001380405208 1347650758 /nfs/dbraw/zinc/65/07/58/1347650758.db2.gz XPPRFPOOCXKQDD-FQEVSTJZSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001380420140 1347659329 /nfs/dbraw/zinc/65/93/29/1347659329.db2.gz DZRBPBUATDTWLZ-PZJWPPBQSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001380427776 1347664221 /nfs/dbraw/zinc/66/42/21/1347664221.db2.gz UXCVRFUHVLGJPR-OAQYLSRUSA-N 1 3 345.531 2.973 20 0 EFADHO CC1(CNC(=O)C23CCC[NH+]2CCC3)CCN(C/C=C\Cl)CC1 ZINC001380447672 1347677595 /nfs/dbraw/zinc/67/75/95/1347677595.db2.gz FSMKIGLQALPMDJ-WTKPLQERSA-N 1 3 339.911 2.586 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380659188 1347795392 /nfs/dbraw/zinc/79/53/92/1347795392.db2.gz FJCPNFHAXGHFNR-HOTGVXAUSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001380804270 1347889625 /nfs/dbraw/zinc/88/96/25/1347889625.db2.gz POXROQJLJIEFCK-SNRMKQJTSA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CCC1)N(C)C ZINC001380895290 1347942084 /nfs/dbraw/zinc/94/20/84/1347942084.db2.gz LVJLWKWVWRNOLN-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CCC1)N(C)C ZINC001380895289 1347942255 /nfs/dbraw/zinc/94/22/55/1347942255.db2.gz LVJLWKWVWRNOLN-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380939154 1347971541 /nfs/dbraw/zinc/97/15/41/1347971541.db2.gz NSYDYJLUGNZKDJ-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380939154 1347971542 /nfs/dbraw/zinc/97/15/42/1347971542.db2.gz NSYDYJLUGNZKDJ-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2F)CC1)N(C)C ZINC001380940189 1347972128 /nfs/dbraw/zinc/97/21/28/1347972128.db2.gz RSUUHNRGUXGMNN-HKUYNNGSSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2F)CC1)N(C)C ZINC001380940189 1347972131 /nfs/dbraw/zinc/97/21/31/1347972131.db2.gz RSUUHNRGUXGMNN-HKUYNNGSSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001380949132 1347978677 /nfs/dbraw/zinc/97/86/77/1347978677.db2.gz MDVAHAXLCLPYPY-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001380949132 1347978679 /nfs/dbraw/zinc/97/86/79/1347978679.db2.gz MDVAHAXLCLPYPY-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001380969655 1347992981 /nfs/dbraw/zinc/99/29/81/1347992981.db2.gz HWFVUCISPYJPML-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001380969655 1347992984 /nfs/dbraw/zinc/99/29/84/1347992984.db2.gz HWFVUCISPYJPML-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380973690 1347996942 /nfs/dbraw/zinc/99/69/42/1347996942.db2.gz WTPBRKODULOZDZ-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380973690 1347996944 /nfs/dbraw/zinc/99/69/44/1347996944.db2.gz WTPBRKODULOZDZ-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCCF)C1 ZINC001380991072 1348009827 /nfs/dbraw/zinc/00/98/27/1348009827.db2.gz UEKBLFKJOCGMLO-ZWKOTPCHSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CCCF)C1 ZINC001380991072 1348009832 /nfs/dbraw/zinc/00/98/32/1348009832.db2.gz UEKBLFKJOCGMLO-ZWKOTPCHSA-N 1 3 341.515 2.781 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]C/C=C/Cl)CC2)CCC1 ZINC001394011253 1357384201 /nfs/dbraw/zinc/38/42/01/1357384201.db2.gz XIXCQGAISREBNE-LFYBBSHMSA-N 1 3 327.900 2.582 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1CCc1cccs1 ZINC001381171288 1348119632 /nfs/dbraw/zinc/11/96/32/1348119632.db2.gz OZDXFAQNZYIUDT-CVEARBPZSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1CCc1cccs1 ZINC001381171288 1348119635 /nfs/dbraw/zinc/11/96/35/1348119635.db2.gz OZDXFAQNZYIUDT-CVEARBPZSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001394024500 1357396108 /nfs/dbraw/zinc/39/61/08/1357396108.db2.gz QCZKGDYEVCODDO-GOSISDBHSA-N 1 3 345.531 2.911 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001381801119 1348535142 /nfs/dbraw/zinc/53/51/42/1348535142.db2.gz CLZLXDTZBPSGAV-SJORKVTESA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001381801119 1348535144 /nfs/dbraw/zinc/53/51/44/1348535144.db2.gz CLZLXDTZBPSGAV-SJORKVTESA-N 1 3 331.504 2.916 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001381806980 1348539601 /nfs/dbraw/zinc/53/96/01/1348539601.db2.gz RUZNRHLTQFKUKY-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001381809774 1348542218 /nfs/dbraw/zinc/54/22/18/1348542218.db2.gz URDNMLFBPLAWJO-PXNSSMCTSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001381823601 1348552411 /nfs/dbraw/zinc/55/24/11/1348552411.db2.gz OHHJXQUFSAYFLN-YLJYHZDGSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001381824654 1348552929 /nfs/dbraw/zinc/55/29/29/1348552929.db2.gz CUBSVTWFLGMLKA-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1sccc1Cl)[NH+](C)C ZINC001382155147 1348776437 /nfs/dbraw/zinc/77/64/37/1348776437.db2.gz FMRSHJWXVYOLFD-DOMZBBRYSA-N 1 3 345.940 2.924 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CCC[NH+]1CCCC1 ZINC001382307326 1348859017 /nfs/dbraw/zinc/85/90/17/1348859017.db2.gz FQVDRNHDLRXXNR-FUHWJXTLSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001382588949 1349036539 /nfs/dbraw/zinc/03/65/39/1349036539.db2.gz KQCAZHDZMVREAT-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001394101961 1357473451 /nfs/dbraw/zinc/47/34/51/1357473451.db2.gz JYACMXTYFKSDKD-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCCCC1)N(C)C ZINC001394116354 1357489469 /nfs/dbraw/zinc/48/94/69/1357489469.db2.gz ZDNHXKIVVGPCJO-FUHWJXTLSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001394116354 1357489471 /nfs/dbraw/zinc/48/94/71/1357489471.db2.gz ZDNHXKIVVGPCJO-FUHWJXTLSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001394267186 1357651972 /nfs/dbraw/zinc/65/19/72/1357651972.db2.gz POGOIUDMQYJROR-QFBILLFUSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001388684675 1352918499 /nfs/dbraw/zinc/91/84/99/1352918499.db2.gz ZHCVMVQLHIURHK-ZFKCKOODSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001388686523 1352920644 /nfs/dbraw/zinc/92/06/44/1352920644.db2.gz KOOIYQMXCRIWGI-SCRDCRAPSA-N 1 3 343.924 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C\Cl)CC2 ZINC001388765997 1352990099 /nfs/dbraw/zinc/99/00/99/1352990099.db2.gz ZRKVCEQCPLFDDD-MEMKZHQFSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C\Cl)CC2 ZINC001388765997 1352990103 /nfs/dbraw/zinc/99/01/03/1352990103.db2.gz ZRKVCEQCPLFDDD-MEMKZHQFSA-N 1 3 341.927 2.784 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001389667165 1353540586 /nfs/dbraw/zinc/54/05/86/1353540586.db2.gz OLDNOCZAGWGTQF-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)cc1 ZINC001389668582 1353541380 /nfs/dbraw/zinc/54/13/80/1353541380.db2.gz PDJOVJRTPGSRSX-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001389696001 1353561449 /nfs/dbraw/zinc/56/14/49/1353561449.db2.gz ULVBVTILHNMLLQ-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001389863511 1353653909 /nfs/dbraw/zinc/65/39/09/1353653909.db2.gz UGJMHWIAPVZIPS-LNLFQRSKSA-N 1 3 331.504 2.626 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001389880565 1353664779 /nfs/dbraw/zinc/66/47/79/1353664779.db2.gz DJUWYQQESBFPPB-WGSAOQKQSA-N 1 3 345.531 2.964 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390030339 1353753071 /nfs/dbraw/zinc/75/30/71/1353753071.db2.gz CZLJFGRLYQCGHT-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390030339 1353753077 /nfs/dbraw/zinc/75/30/77/1353753077.db2.gz CZLJFGRLYQCGHT-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001390046846 1353765165 /nfs/dbraw/zinc/76/51/65/1353765165.db2.gz VBFWLAXJWXGZFA-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001390046846 1353765169 /nfs/dbraw/zinc/76/51/69/1353765169.db2.gz VBFWLAXJWXGZFA-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001390057580 1353772412 /nfs/dbraw/zinc/77/24/12/1353772412.db2.gz GNXUMCYBVIENLA-VQTJNVASSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001390057580 1353772416 /nfs/dbraw/zinc/77/24/16/1353772416.db2.gz GNXUMCYBVIENLA-VQTJNVASSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001390163477 1353880209 /nfs/dbraw/zinc/88/02/09/1353880209.db2.gz RBVKXTMPLNGGAS-ROUUACIJSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001390163477 1353880216 /nfs/dbraw/zinc/88/02/16/1353880216.db2.gz RBVKXTMPLNGGAS-ROUUACIJSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201468 1353920051 /nfs/dbraw/zinc/92/00/51/1353920051.db2.gz UJJXWCZDLFVOPU-DLBZAZTESA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201468 1353920056 /nfs/dbraw/zinc/92/00/56/1353920056.db2.gz UJJXWCZDLFVOPU-DLBZAZTESA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001390267135 1353965583 /nfs/dbraw/zinc/96/55/83/1353965583.db2.gz UUGGUAKWQAXMNR-ACBHZAAOSA-N 1 3 331.504 2.852 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001394675541 1357994343 /nfs/dbraw/zinc/99/43/43/1357994343.db2.gz YINGCJNSZVBMMA-ROUUACIJSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001390403598 1354065336 /nfs/dbraw/zinc/06/53/36/1354065336.db2.gz RCLFLLILRJNOPN-YOEHRIQHSA-N 1 3 339.911 2.563 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001390464705 1354099513 /nfs/dbraw/zinc/09/95/13/1354099513.db2.gz QNUZBPIZALDING-CQSZACIVSA-N 1 3 337.895 2.585 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001390477373 1354111401 /nfs/dbraw/zinc/11/14/01/1354111401.db2.gz HVMVIBYNNMNPBR-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001390503268 1354130459 /nfs/dbraw/zinc/13/04/59/1354130459.db2.gz CBHPXYHHDHVNKX-HNAYVOBHSA-N 1 3 348.535 2.694 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccc(Cl)s1 ZINC001390535877 1354157160 /nfs/dbraw/zinc/15/71/60/1354157160.db2.gz PYBIIFPYYASCCW-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001390619942 1354217005 /nfs/dbraw/zinc/21/70/05/1354217005.db2.gz SHBVIJBLVXBEGM-ROUUACIJSA-N 1 3 329.488 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001390641020 1354240412 /nfs/dbraw/zinc/24/04/12/1354240412.db2.gz ZMXHMIPLTFRGRS-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001390641020 1354240415 /nfs/dbraw/zinc/24/04/15/1354240415.db2.gz ZMXHMIPLTFRGRS-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001390764162 1354351366 /nfs/dbraw/zinc/35/13/66/1354351366.db2.gz JCNUMPAEMPVMNC-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1c(C)cccc1C ZINC001390764162 1354351368 /nfs/dbraw/zinc/35/13/68/1354351368.db2.gz JCNUMPAEMPVMNC-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001390764477 1354351464 /nfs/dbraw/zinc/35/14/64/1354351464.db2.gz HWBOEXLJQWWKDC-VQIMIIECSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001390764477 1354351469 /nfs/dbraw/zinc/35/14/69/1354351469.db2.gz HWBOEXLJQWWKDC-VQIMIIECSA-N 1 3 331.504 2.698 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390764080 1354352056 /nfs/dbraw/zinc/35/20/56/1354352056.db2.gz IUXVQBFDHWTSIL-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390764080 1354352060 /nfs/dbraw/zinc/35/20/60/1354352060.db2.gz IUXVQBFDHWTSIL-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC001390766330 1354353277 /nfs/dbraw/zinc/35/32/77/1354353277.db2.gz MHEPTZIHFJHUPV-LSBZLQRGSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC001390766330 1354353283 /nfs/dbraw/zinc/35/32/83/1354353283.db2.gz MHEPTZIHFJHUPV-LSBZLQRGSA-N 1 3 347.478 2.591 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001390780509 1354368225 /nfs/dbraw/zinc/36/82/25/1354368225.db2.gz VVWBFZPZHQAHPH-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001390780509 1354368232 /nfs/dbraw/zinc/36/82/32/1354368232.db2.gz VVWBFZPZHQAHPH-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2cccc(C)c2)C1 ZINC001390802716 1354389758 /nfs/dbraw/zinc/38/97/58/1354389758.db2.gz RNXPCZSJNVQTFQ-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2cccc(C)c2)C1 ZINC001390802716 1354389761 /nfs/dbraw/zinc/38/97/61/1354389761.db2.gz RNXPCZSJNVQTFQ-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)CCc1ccccc1Cl)[NH+](C)C ZINC001390821013 1354406824 /nfs/dbraw/zinc/40/68/24/1354406824.db2.gz UZPXFXIQPFKFTJ-QGZVFWFLSA-N 1 3 339.911 2.517 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001390823913 1354409985 /nfs/dbraw/zinc/40/99/85/1354409985.db2.gz FYMHASWPZTUZIO-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC001390823913 1354409989 /nfs/dbraw/zinc/40/99/89/1354409989.db2.gz FYMHASWPZTUZIO-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO CN(CCNC(=O)CC[NH+]1CCCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001390859605 1354441810 /nfs/dbraw/zinc/44/18/10/1354441810.db2.gz TXZULQWYIXYENR-LJQANCHMSA-N 1 3 347.478 2.737 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001391011876 1354682044 /nfs/dbraw/zinc/68/20/44/1354682044.db2.gz SUXRLWFNCQYJCL-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001391011876 1354682049 /nfs/dbraw/zinc/68/20/49/1354682049.db2.gz SUXRLWFNCQYJCL-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001391062245 1354751339 /nfs/dbraw/zinc/75/13/39/1354751339.db2.gz MGJKYPMFEORTIM-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391069168 1354759385 /nfs/dbraw/zinc/75/93/85/1354759385.db2.gz LGKLEYFHYNJJFN-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391069168 1354759391 /nfs/dbraw/zinc/75/93/91/1354759391.db2.gz LGKLEYFHYNJJFN-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094771 1354787056 /nfs/dbraw/zinc/78/70/56/1354787056.db2.gz JBSPGHPRSAJQQO-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094771 1354787061 /nfs/dbraw/zinc/78/70/61/1354787061.db2.gz JBSPGHPRSAJQQO-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001391189206 1354918356 /nfs/dbraw/zinc/91/83/56/1354918356.db2.gz XHUHPEAQYMFJPD-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001391189206 1354918365 /nfs/dbraw/zinc/91/83/65/1354918365.db2.gz XHUHPEAQYMFJPD-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCc2c1cccc2F ZINC001391194550 1354921827 /nfs/dbraw/zinc/92/18/27/1354921827.db2.gz BFVIWJUGHKPBNT-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCc2c1cccc2F ZINC001391194550 1354921831 /nfs/dbraw/zinc/92/18/31/1354921831.db2.gz BFVIWJUGHKPBNT-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001391201702 1354929957 /nfs/dbraw/zinc/92/99/57/1354929957.db2.gz STMSUXDAEBJONZ-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001391201702 1354929961 /nfs/dbraw/zinc/92/99/61/1354929961.db2.gz STMSUXDAEBJONZ-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001391238535 1354961215 /nfs/dbraw/zinc/96/12/15/1354961215.db2.gz CQADVKBAKLKGIX-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO CC1CC(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)c2ccccc2)C1 ZINC001391253646 1354975928 /nfs/dbraw/zinc/97/59/28/1354975928.db2.gz BFXXKUIDSOKNMH-UHYCVJNDSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001391316106 1355061872 /nfs/dbraw/zinc/06/18/72/1355061872.db2.gz ZDDNTNKUEJNGQK-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001391316106 1355061877 /nfs/dbraw/zinc/06/18/77/1355061877.db2.gz ZDDNTNKUEJNGQK-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391320128 1355068667 /nfs/dbraw/zinc/06/86/67/1355068667.db2.gz SGAJSPXEONQKCX-MOPGFXCFSA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391320128 1355068671 /nfs/dbraw/zinc/06/86/71/1355068671.db2.gz SGAJSPXEONQKCX-MOPGFXCFSA-N 1 3 349.494 2.825 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001436665780 1387274800 /nfs/dbraw/zinc/27/48/00/1387274800.db2.gz FMODWDUONOCXLL-LJQANCHMSA-N 1 3 349.494 2.789 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001391338181 1355094500 /nfs/dbraw/zinc/09/45/00/1355094500.db2.gz LBALIWBZLVWNKC-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001391338181 1355094505 /nfs/dbraw/zinc/09/45/05/1355094505.db2.gz LBALIWBZLVWNKC-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\c1ccccc1 ZINC001391537188 1355285677 /nfs/dbraw/zinc/28/56/77/1355285677.db2.gz MZWMKUQUSLAONH-XZXCKGAHSA-N 1 3 341.499 2.717 20 0 EFADHO CCc1ccccc1CN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001391629988 1355375793 /nfs/dbraw/zinc/37/57/93/1355375793.db2.gz ICGSBPZKNNXBRE-IBGZPJMESA-N 1 3 343.515 2.624 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(CF)cc1 ZINC001399733389 1361463600 /nfs/dbraw/zinc/46/36/00/1361463600.db2.gz SAUFUZNBRIQJSA-UHFFFAOYSA-N 1 3 347.478 2.723 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1cc2ccccc2o1 ZINC001391717838 1355460616 /nfs/dbraw/zinc/46/06/16/1355460616.db2.gz LCHAADLULOOGEX-INIZCTEOSA-N 1 3 343.471 2.759 20 0 EFADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001391719680 1355463238 /nfs/dbraw/zinc/46/32/38/1355463238.db2.gz KQKFZGVYDIODMF-GOSISDBHSA-N 1 3 333.520 2.957 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001391722897 1355466889 /nfs/dbraw/zinc/46/68/89/1355466889.db2.gz OAITZUNBBCVUKV-HZPDHXFCSA-N 1 3 325.522 2.627 20 0 EFADHO CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1ccns1 ZINC001391741502 1355486636 /nfs/dbraw/zinc/48/66/36/1355486636.db2.gz NATXCGKYFFKCEC-INIZCTEOSA-N 1 3 346.500 2.503 20 0 EFADHO CCCN(C)CC(=O)NCCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001391848803 1355592226 /nfs/dbraw/zinc/59/22/26/1355592226.db2.gz USNVKHYICKKPDU-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001391895283 1355629825 /nfs/dbraw/zinc/62/98/25/1355629825.db2.gz RLWGRNKKSNQFRJ-DOOVCASASA-N 1 3 336.307 2.522 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC/C(Cl)=C/Cl ZINC001391895283 1355629826 /nfs/dbraw/zinc/62/98/26/1355629826.db2.gz RLWGRNKKSNQFRJ-DOOVCASASA-N 1 3 336.307 2.522 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001391898729 1355633178 /nfs/dbraw/zinc/63/31/78/1355633178.db2.gz IZKMLLALVMANED-SUMWQHHRSA-N 1 3 339.911 2.831 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001391948504 1355672445 /nfs/dbraw/zinc/67/24/45/1355672445.db2.gz IJPDGPZAYQALKI-WCQYABFASA-N 1 3 331.913 2.584 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001392006790 1355710356 /nfs/dbraw/zinc/71/03/56/1355710356.db2.gz CZYAMQFFDABZTM-ABHNRTSZSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCC1 ZINC001392019667 1355720518 /nfs/dbraw/zinc/72/05/18/1355720518.db2.gz CSOGCMJYDPQBSO-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392069621 1355747596 /nfs/dbraw/zinc/74/75/96/1355747596.db2.gz DGAXNBFEPDUMCV-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001392125139 1355787424 /nfs/dbraw/zinc/78/74/24/1355787424.db2.gz PUYOZZAJDNBRGD-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001392149831 1355806015 /nfs/dbraw/zinc/80/60/15/1355806015.db2.gz IGEUZRGUTKPPJZ-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001392182864 1355836216 /nfs/dbraw/zinc/83/62/16/1355836216.db2.gz QFLDMVBFVFBQSH-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCc2ccccc2)C1 ZINC001392198351 1355854971 /nfs/dbraw/zinc/85/49/71/1355854971.db2.gz XYSGAUZUZRVTAD-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001392233041 1355888531 /nfs/dbraw/zinc/88/85/31/1355888531.db2.gz MFDIMPBRJNRBBS-LJQANCHMSA-N 1 3 349.494 2.849 20 0 EFADHO CN(CCN(C)[C@@H]1CCCc2ccc(F)cc21)C(=O)CCC[NH+](C)C ZINC001392299461 1355955597 /nfs/dbraw/zinc/95/55/97/1355955597.db2.gz HIFPIQRMTCCOKE-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO C[C@@H](C(=O)N(C)CCN(C)Cc1ccccc1)[NH+]1CCCCCC1 ZINC001392312646 1355970546 /nfs/dbraw/zinc/97/05/46/1355970546.db2.gz MJFLHVULFARVJS-SFHVURJKSA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001392323539 1355988832 /nfs/dbraw/zinc/98/88/32/1355988832.db2.gz VAZSDKIWHIHLNS-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001392323539 1355988835 /nfs/dbraw/zinc/98/88/35/1355988835.db2.gz VAZSDKIWHIHLNS-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC001392337465 1356004962 /nfs/dbraw/zinc/00/49/62/1356004962.db2.gz KUGVAMLEAFRIFL-VQIMIIECSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001392359011 1356016820 /nfs/dbraw/zinc/01/68/20/1356016820.db2.gz XAXXVLDEVLPUAJ-SJLPKXTDSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001392442022 1356041022 /nfs/dbraw/zinc/04/10/22/1356041022.db2.gz JQAQJKVYXGNEIJ-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@H](C(C)C)N(C)C ZINC001392458383 1356051909 /nfs/dbraw/zinc/05/19/09/1356051909.db2.gz JFABFWJJDPCOQL-OALUTQOASA-N 1 3 349.494 2.837 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001392538705 1356110172 /nfs/dbraw/zinc/11/01/72/1356110172.db2.gz ZDBOAKJRIZDHTB-OAHLLOKOSA-N 1 3 337.895 2.810 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001392576681 1356133046 /nfs/dbraw/zinc/13/30/46/1356133046.db2.gz UVFKMZRSRFBHNN-RDJZCZTQSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2Cl)NC(=O)CN(C)C1CCC1 ZINC001392569443 1356127512 /nfs/dbraw/zinc/12/75/12/1356127512.db2.gz VHVNSXCVTBVDQG-UGSOOPFHSA-N 1 3 349.906 2.906 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001392687194 1356237727 /nfs/dbraw/zinc/23/77/27/1356237727.db2.gz QHJNNTGYFQNZEU-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001392687194 1356237732 /nfs/dbraw/zinc/23/77/32/1356237732.db2.gz QHJNNTGYFQNZEU-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001392688846 1356239605 /nfs/dbraw/zinc/23/96/05/1356239605.db2.gz IUXDSNFGQQMPMW-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H](CN(C)Cc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001392692935 1356246072 /nfs/dbraw/zinc/24/60/72/1356246072.db2.gz XMCHXJYMCYSVQO-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001392708157 1356260916 /nfs/dbraw/zinc/26/09/16/1356260916.db2.gz DEZQGGCINPLALB-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001392708157 1356260918 /nfs/dbraw/zinc/26/09/18/1356260918.db2.gz DEZQGGCINPLALB-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718267 1356272320 /nfs/dbraw/zinc/27/23/20/1356272320.db2.gz CFSSSZLBZYHYJP-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718267 1356272327 /nfs/dbraw/zinc/27/23/27/1356272327.db2.gz CFSSSZLBZYHYJP-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO COc1cccc(CN(C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001392731094 1356290529 /nfs/dbraw/zinc/29/05/29/1356290529.db2.gz RFRKYVCXZCFRFO-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001392766798 1356310392 /nfs/dbraw/zinc/31/03/92/1356310392.db2.gz RZMIOWOHJLMTMC-IFXJQAMLSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001392773086 1356314378 /nfs/dbraw/zinc/31/43/78/1356314378.db2.gz JNXNGBYUPBVKCN-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001392897678 1356415502 /nfs/dbraw/zinc/41/55/02/1356415502.db2.gz NEGHKRQJXYCBTP-FUKWUPMWSA-N 1 3 341.499 2.811 20 0 EFADHO Cc1ccc(CNC2(CNC(=O)C34CCC[NH+]3CCC4)CC2)cc1F ZINC001392911477 1356425381 /nfs/dbraw/zinc/42/53/81/1356425381.db2.gz HHWQSLLTZGEYDT-UHFFFAOYSA-N 1 3 345.462 2.501 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001393035027 1356526573 /nfs/dbraw/zinc/52/65/73/1356526573.db2.gz JNJRUEDYGKJELE-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@H]1C ZINC001393035022 1356526978 /nfs/dbraw/zinc/52/69/78/1356526978.db2.gz JNJRUEDYGKJELE-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001393068309 1356555895 /nfs/dbraw/zinc/55/58/95/1356555895.db2.gz NQJWQAACARBCSS-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001393070970 1356558821 /nfs/dbraw/zinc/55/88/21/1356558821.db2.gz OMRQAYMOHBTAGZ-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001393070970 1356558822 /nfs/dbraw/zinc/55/88/22/1356558822.db2.gz OMRQAYMOHBTAGZ-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001393122491 1356624038 /nfs/dbraw/zinc/62/40/38/1356624038.db2.gz NVIXSRKWJCSFLI-NRFANRHFSA-N 1 3 343.515 2.952 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2(C)CCN(C/C=C\Cl)CC2)CC1 ZINC001393182260 1356688725 /nfs/dbraw/zinc/68/87/25/1356688725.db2.gz GDVXNOBKYGRCAG-BAQGIRSFSA-N 1 3 341.927 2.689 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)CC(C)(C)C ZINC001393208500 1356723091 /nfs/dbraw/zinc/72/30/91/1356723091.db2.gz YATJPUUPJODQTB-FQEVSTJZSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1)CC(C)(C)C ZINC001393208500 1356723096 /nfs/dbraw/zinc/72/30/96/1356723096.db2.gz YATJPUUPJODQTB-FQEVSTJZSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C ZINC001393404591 1356822847 /nfs/dbraw/zinc/82/28/47/1356822847.db2.gz AWSMHZIPXAPDBA-IBGZPJMESA-N 1 3 331.504 2.886 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001393411835 1356827365 /nfs/dbraw/zinc/82/73/65/1356827365.db2.gz FMYZJHVGFBMMAJ-QRVBRYPASA-N 1 3 343.515 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1 ZINC001393411835 1356827369 /nfs/dbraw/zinc/82/73/69/1356827369.db2.gz FMYZJHVGFBMMAJ-QRVBRYPASA-N 1 3 343.515 2.788 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)cc1C ZINC001393542338 1356932891 /nfs/dbraw/zinc/93/28/91/1356932891.db2.gz DHXCLMMRRKBBDV-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)CC1 ZINC001393594718 1356974952 /nfs/dbraw/zinc/97/49/52/1356974952.db2.gz FNHVPKCUQINWMP-HXUWFJFHSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC001393594718 1356974957 /nfs/dbraw/zinc/97/49/57/1356974957.db2.gz FNHVPKCUQINWMP-HXUWFJFHSA-N 1 3 345.531 2.932 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)cc1F ZINC001393596741 1356978856 /nfs/dbraw/zinc/97/88/56/1356978856.db2.gz PXQYRAWZOPWDOZ-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC001393597192 1356980450 /nfs/dbraw/zinc/98/04/50/1356980450.db2.gz IPWSBBBUOGXBEO-MJGOQNOKSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001393597884 1356981968 /nfs/dbraw/zinc/98/19/68/1356981968.db2.gz SPXZIBXVBLKTCR-RBUKOAKNSA-N 1 3 349.494 2.883 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001393611986 1357001120 /nfs/dbraw/zinc/00/11/20/1357001120.db2.gz CTXJONAERABASL-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1C ZINC001393611986 1357001124 /nfs/dbraw/zinc/00/11/24/1357001124.db2.gz CTXJONAERABASL-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001393635653 1357032035 /nfs/dbraw/zinc/03/20/35/1357032035.db2.gz PIGZFAIQIKMJEH-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001393635653 1357032040 /nfs/dbraw/zinc/03/20/40/1357032040.db2.gz PIGZFAIQIKMJEH-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001393643418 1357043677 /nfs/dbraw/zinc/04/36/77/1357043677.db2.gz NWBBAJNEKNGFOX-FQEVSTJZSA-N 1 3 345.531 2.796 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001393643418 1357043681 /nfs/dbraw/zinc/04/36/81/1357043681.db2.gz NWBBAJNEKNGFOX-FQEVSTJZSA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1)[NH+](C)C ZINC001394487920 1357869302 /nfs/dbraw/zinc/86/93/02/1357869302.db2.gz CCSVNDALFJSIGU-KXBFYZLASA-N 1 3 345.487 2.956 20 0 EFADHO COc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)ccc1C ZINC001394488414 1357870110 /nfs/dbraw/zinc/87/01/10/1357870110.db2.gz GOWJNFPJQJDNNM-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001394488875 1357870342 /nfs/dbraw/zinc/87/03/42/1357870342.db2.gz KCHMATQQTFBBIL-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccc(CC)cc2)C[C@H]1C ZINC001394665872 1357984913 /nfs/dbraw/zinc/98/49/13/1357984913.db2.gz DZUWEJYSSNKBTQ-YLJYHZDGSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394674980 1357992309 /nfs/dbraw/zinc/99/23/09/1357992309.db2.gz WHPRCMQVRIWVKD-FUHWJXTLSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001394698756 1358023351 /nfs/dbraw/zinc/02/33/51/1358023351.db2.gz BEYZCDOXRGLNFJ-WBVHZDCISA-N 1 3 349.544 2.915 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCCC2)c(F)c1 ZINC001394866420 1358174944 /nfs/dbraw/zinc/17/49/44/1358174944.db2.gz LTWIOOADFJXRQE-UHFFFAOYSA-N 1 3 335.467 2.816 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001436875804 1387335354 /nfs/dbraw/zinc/33/53/54/1387335354.db2.gz AYRAJZYFDPZYAX-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001437040342 1387385258 /nfs/dbraw/zinc/38/52/58/1387385258.db2.gz YOKTWLFQTDOULN-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001397053499 1359637373 /nfs/dbraw/zinc/63/73/73/1359637373.db2.gz JNGNFPIHHOJDAZ-HRCADAONSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001397081120 1359659249 /nfs/dbraw/zinc/65/92/49/1359659249.db2.gz MYLQAFJFAOETQK-XKGZKEIXSA-N 1 3 343.515 2.630 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001397090588 1359668474 /nfs/dbraw/zinc/66/84/74/1359668474.db2.gz AJOOWTGSVMCROT-CEXWTWQISA-N 1 3 331.504 2.574 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001397469575 1359908465 /nfs/dbraw/zinc/90/84/65/1359908465.db2.gz BRUNWQZBDZHRGQ-CXAGYDPISA-N 1 3 337.533 2.643 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437151962 1387425315 /nfs/dbraw/zinc/42/53/15/1387425315.db2.gz WUPKEIPBGNMOLD-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001397590463 1359985844 /nfs/dbraw/zinc/98/58/44/1359985844.db2.gz FCHHNJISINZNOE-OTWHNJEPSA-N 1 3 331.504 2.566 20 0 EFADHO CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397677924 1360043556 /nfs/dbraw/zinc/04/35/56/1360043556.db2.gz FVLPEDSOBZBJHD-XUVXKRRUSA-N 1 3 345.531 2.957 20 0 EFADHO CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397677924 1360043558 /nfs/dbraw/zinc/04/35/58/1360043558.db2.gz FVLPEDSOBZBJHD-XUVXKRRUSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397695309 1360056639 /nfs/dbraw/zinc/05/66/39/1360056639.db2.gz KPOFYJUXRZCALP-RGCFKVTRSA-N 1 3 349.494 2.957 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398210272 1360382745 /nfs/dbraw/zinc/38/27/45/1360382745.db2.gz UIJUZHPCFRAJOU-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001398369859 1360491486 /nfs/dbraw/zinc/49/14/86/1360491486.db2.gz ZRIIBVXWNYMOIK-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001398404310 1360523026 /nfs/dbraw/zinc/52/30/26/1360523026.db2.gz KMBRLPOYKMVGGB-LJQANCHMSA-N 1 3 343.515 2.506 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001398539637 1360634113 /nfs/dbraw/zinc/63/41/13/1360634113.db2.gz UCKDUNOZRVSJNU-XJKCOSOUSA-N 1 3 341.858 2.556 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001398539846 1360634159 /nfs/dbraw/zinc/63/41/59/1360634159.db2.gz OBJRRWQJNLOWKL-BJLQDIEVSA-N 1 3 345.531 2.935 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001398543890 1360637352 /nfs/dbraw/zinc/63/73/52/1360637352.db2.gz ZRZCLLYWFMYFJZ-LNLFQRSKSA-N 1 3 347.478 2.998 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001398561116 1360646787 /nfs/dbraw/zinc/64/67/87/1360646787.db2.gz XDUFPPXKBGQUDJ-QWFCFKBJSA-N 1 3 343.515 2.887 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC001398568849 1360650132 /nfs/dbraw/zinc/65/01/32/1360650132.db2.gz SXTHABSBFFVFRF-KKUMJFAQSA-N 1 3 337.895 2.980 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001398825174 1360817098 /nfs/dbraw/zinc/81/70/98/1360817098.db2.gz ZCZQAHAVPVIZIY-NMDDUFOESA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001398825174 1360817101 /nfs/dbraw/zinc/81/71/01/1360817101.db2.gz ZCZQAHAVPVIZIY-NMDDUFOESA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1cccs1 ZINC001398927059 1360877375 /nfs/dbraw/zinc/87/73/75/1360877375.db2.gz FRGKXJAOVNQBHZ-OAHLLOKOSA-N 1 3 337.533 2.649 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001398943342 1360885337 /nfs/dbraw/zinc/88/53/37/1360885337.db2.gz UXDWGOHLTJRANL-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001399109971 1361001316 /nfs/dbraw/zinc/00/13/16/1361001316.db2.gz QSEYYXGOPKFWHW-JKSUJKDBSA-N 1 3 331.504 2.672 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001399228179 1361085152 /nfs/dbraw/zinc/08/51/52/1361085152.db2.gz IRIQWNISSQWHBN-KSSFIOAISA-N 1 3 349.906 2.860 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001399275034 1361116030 /nfs/dbraw/zinc/11/60/30/1361116030.db2.gz ABHSNRRPTYENGR-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001399275034 1361116034 /nfs/dbraw/zinc/11/60/34/1361116034.db2.gz ABHSNRRPTYENGR-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001399255782 1361102680 /nfs/dbraw/zinc/10/26/80/1361102680.db2.gz BDAJMNQKGFGXFA-ROUUACIJSA-N 1 3 349.494 2.993 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001399274583 1361116294 /nfs/dbraw/zinc/11/62/94/1361116294.db2.gz WVGGXBKLKLFDTQ-IRXDYDNUSA-N 1 3 346.519 2.577 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001399342293 1361161776 /nfs/dbraw/zinc/16/17/76/1361161776.db2.gz QZKYLLMTDUNZHB-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001399412461 1361204554 /nfs/dbraw/zinc/20/45/54/1361204554.db2.gz HKMQBGBQHCGMSU-QAPCUYQASA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001399575482 1361344621 /nfs/dbraw/zinc/34/46/21/1361344621.db2.gz LVCBLKIRERFNJU-KXBFYZLASA-N 1 3 331.504 2.625 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001399575482 1361344623 /nfs/dbraw/zinc/34/46/23/1361344623.db2.gz LVCBLKIRERFNJU-KXBFYZLASA-N 1 3 331.504 2.625 20 0 EFADHO CC[N@@H+](C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCN1C ZINC001399684484 1361427089 /nfs/dbraw/zinc/42/70/89/1361427089.db2.gz BOHXCRBAKLZKJY-JXTAAOLFSA-N 1 3 349.906 2.886 20 0 EFADHO CC[N@H+](C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCN1C ZINC001399684484 1361427092 /nfs/dbraw/zinc/42/70/92/1361427092.db2.gz BOHXCRBAKLZKJY-JXTAAOLFSA-N 1 3 349.906 2.886 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001399752977 1361478874 /nfs/dbraw/zinc/47/88/74/1361478874.db2.gz KFBKHPZFUJQCIT-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)c1cccc(Cl)c1 ZINC001399829156 1361521535 /nfs/dbraw/zinc/52/15/35/1361521535.db2.gz QFMRQDVTFQDDGP-GOEBONIOSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1cccc(Cl)c1 ZINC001399829156 1361521539 /nfs/dbraw/zinc/52/15/39/1361521539.db2.gz QFMRQDVTFQDDGP-GOEBONIOSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399831734 1361523484 /nfs/dbraw/zinc/52/34/84/1361523484.db2.gz WJUQGDKQCIGEDY-LAQIPUCWSA-N 1 3 349.906 2.743 20 0 EFADHO CCN(C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399831734 1361523487 /nfs/dbraw/zinc/52/34/87/1361523487.db2.gz WJUQGDKQCIGEDY-LAQIPUCWSA-N 1 3 349.906 2.743 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001399875972 1361543800 /nfs/dbraw/zinc/54/38/00/1361543800.db2.gz XGPOGIFNCGLYBV-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001399892180 1361555780 /nfs/dbraw/zinc/55/57/80/1361555780.db2.gz GWEMWMBZFYNTOB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001399892180 1361555782 /nfs/dbraw/zinc/55/57/82/1361555782.db2.gz GWEMWMBZFYNTOB-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001399954873 1361608073 /nfs/dbraw/zinc/60/80/73/1361608073.db2.gz RMCLNZUTKOKHSP-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001399954873 1361608075 /nfs/dbraw/zinc/60/80/75/1361608075.db2.gz RMCLNZUTKOKHSP-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001400028275 1361679219 /nfs/dbraw/zinc/67/92/19/1361679219.db2.gz LHGJVKQNKLJUII-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001400028275 1361679223 /nfs/dbraw/zinc/67/92/23/1361679223.db2.gz LHGJVKQNKLJUII-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001400065460 1361708717 /nfs/dbraw/zinc/70/87/17/1361708717.db2.gz DZKRLDACXYZFHS-MAUKXSAKSA-N 1 3 335.467 2.667 20 0 EFADHO CN(CCNC1c2ccccc2-c2ccccc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001400076374 1361716763 /nfs/dbraw/zinc/71/67/63/1361716763.db2.gz APKQJQRGIMCYMY-INIZCTEOSA-N 1 3 349.478 2.756 20 0 EFADHO CN(CCNC1c2ccccc2-c2ccccc21)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001400076374 1361716766 /nfs/dbraw/zinc/71/67/66/1361716766.db2.gz APKQJQRGIMCYMY-INIZCTEOSA-N 1 3 349.478 2.756 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C ZINC001400088510 1361727374 /nfs/dbraw/zinc/72/73/74/1361727374.db2.gz QKEDOUPKZPWMFS-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001400186423 1361827512 /nfs/dbraw/zinc/82/75/12/1361827512.db2.gz TUHLYKLTOIZANY-LXPRWKDFSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](CCNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001400186423 1361827515 /nfs/dbraw/zinc/82/75/15/1361827515.db2.gz TUHLYKLTOIZANY-LXPRWKDFSA-N 1 3 337.552 2.839 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC001400194840 1361834853 /nfs/dbraw/zinc/83/48/53/1361834853.db2.gz ZLSWHGHEGSPGSQ-DFIVBLOKSA-N 1 3 349.906 2.943 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001437316751 1387538007 /nfs/dbraw/zinc/53/80/07/1387538007.db2.gz QXCCEIJNCNJLPL-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)C1 ZINC001400506537 1362002477 /nfs/dbraw/zinc/00/24/77/1362002477.db2.gz LAFLQLBUPWXKOW-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001400802228 1362172746 /nfs/dbraw/zinc/17/27/46/1362172746.db2.gz JJHIFRAAJXCKJI-IBGZPJMESA-N 1 3 345.531 2.978 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001400818644 1362184222 /nfs/dbraw/zinc/18/42/22/1362184222.db2.gz FOHNZOAEUVUSJQ-IRXDYDNUSA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001400934504 1362274987 /nfs/dbraw/zinc/27/49/87/1362274987.db2.gz PDJCPLSZYJWCKX-IUODEOHRSA-N 1 3 345.940 2.972 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCC1 ZINC001400990436 1362332065 /nfs/dbraw/zinc/33/20/65/1362332065.db2.gz NYTRPWPWAPQQCE-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001437345285 1387568280 /nfs/dbraw/zinc/56/82/80/1387568280.db2.gz CMDIFECTWHXRMU-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001437345285 1387568283 /nfs/dbraw/zinc/56/82/83/1387568283.db2.gz CMDIFECTWHXRMU-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001437349239 1387570546 /nfs/dbraw/zinc/57/05/46/1387570546.db2.gz JIWQJAOGYSBKJL-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001437349239 1387570551 /nfs/dbraw/zinc/57/05/51/1387570551.db2.gz JIWQJAOGYSBKJL-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC001401053546 1362398000 /nfs/dbraw/zinc/39/80/00/1362398000.db2.gz YTOSHPJTXWPDTK-JLTOFOAXSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001401058637 1362401459 /nfs/dbraw/zinc/40/14/59/1362401459.db2.gz XULTWBDTZWQQGP-UFYCRDLUSA-N 1 3 345.531 2.895 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](C/C=C/Cl)CC1)CC(C)(C)C ZINC001401073653 1362414654 /nfs/dbraw/zinc/41/46/54/1362414654.db2.gz GVCSRBCVGVXNMP-WEVVVXLNSA-N 1 3 343.943 2.935 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](C/C=C\Cl)CC1)CC(C)(C)C ZINC001401073651 1362414888 /nfs/dbraw/zinc/41/48/88/1362414888.db2.gz GVCSRBCVGVXNMP-UITAMQMPSA-N 1 3 343.943 2.935 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001401113416 1362450873 /nfs/dbraw/zinc/45/08/73/1362450873.db2.gz HWQUZOUXQVYQLF-FUHWJXTLSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001401113418 1362451357 /nfs/dbraw/zinc/45/13/57/1362451357.db2.gz HWQUZOUXQVYQLF-WMZOPIPTSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001401134101 1362470521 /nfs/dbraw/zinc/47/05/21/1362470521.db2.gz GLUTVINOTBTLLV-WFASDCNBSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cc2ccccc2o1 ZINC001401133992 1362471526 /nfs/dbraw/zinc/47/15/26/1362471526.db2.gz VZOBBSMZWAUDQR-HZPDHXFCSA-N 1 3 343.471 2.617 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401140204 1362476403 /nfs/dbraw/zinc/47/64/03/1362476403.db2.gz VMRRXSOGHVOZEA-CJNGLKHVSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001401150025 1362486616 /nfs/dbraw/zinc/48/66/16/1362486616.db2.gz YYVAOIZCSWIQNP-LSDHHAIUSA-N 1 3 328.460 2.672 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2cccs2)CCCC1)N(C)C ZINC001401186171 1362523970 /nfs/dbraw/zinc/52/39/70/1362523970.db2.gz RCFVJTCYSVPNBD-INIZCTEOSA-N 1 3 337.533 2.649 20 0 EFADHO C[C@@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)CN(C)C1CCC1 ZINC001401221359 1362560663 /nfs/dbraw/zinc/56/06/63/1362560663.db2.gz PLOARJNJWQNWDI-HNNXBMFYSA-N 1 3 343.471 2.854 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)ccc1C ZINC001401242211 1362580377 /nfs/dbraw/zinc/58/03/77/1362580377.db2.gz FEJKRBBYASFTTN-VQIMIIECSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001401247741 1362586973 /nfs/dbraw/zinc/58/69/73/1362586973.db2.gz PDYNATHSQSKGKO-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001401258463 1362598250 /nfs/dbraw/zinc/59/82/50/1362598250.db2.gz LRJJEQDLCQFIGN-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001401288575 1362635226 /nfs/dbraw/zinc/63/52/26/1362635226.db2.gz CPHNOKDQBCWJAE-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C/C=C/Cl)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001401306867 1362653087 /nfs/dbraw/zinc/65/30/87/1362653087.db2.gz XOYJMDZHJBHXJD-YCRREMRBSA-N 1 3 341.927 2.641 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)ccc1C)C(C)C)N(C)C ZINC001401340873 1362687848 /nfs/dbraw/zinc/68/78/48/1362687848.db2.gz GFPVMXXAEADRSN-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001401344051 1362691536 /nfs/dbraw/zinc/69/15/36/1362691536.db2.gz SGYUOUSOPWCXJD-RBUKOAKNSA-N 1 3 333.520 2.812 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C)N(C)C ZINC001401345005 1362692484 /nfs/dbraw/zinc/69/24/84/1362692484.db2.gz SVDOKJWOCVNLTP-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001401382887 1362735779 /nfs/dbraw/zinc/73/57/79/1362735779.db2.gz IECIMDOSBVKDNE-UHFFFAOYSA-N 1 3 347.547 2.906 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001401382887 1362735782 /nfs/dbraw/zinc/73/57/82/1362735782.db2.gz IECIMDOSBVKDNE-UHFFFAOYSA-N 1 3 347.547 2.906 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001401484579 1362876430 /nfs/dbraw/zinc/87/64/30/1362876430.db2.gz GZZOJZXYAMCHGK-APWZRJJASA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001401588665 1362953620 /nfs/dbraw/zinc/95/36/20/1362953620.db2.gz WZAWOWRGXMYAMP-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001401600039 1362962118 /nfs/dbraw/zinc/96/21/18/1362962118.db2.gz JXALBDIPQDEGSB-STQMWFEESA-N 1 3 332.423 2.645 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC001401605427 1362966207 /nfs/dbraw/zinc/96/62/07/1362966207.db2.gz SQFHVWNNQSKFKI-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC001401606671 1362967534 /nfs/dbraw/zinc/96/75/34/1362967534.db2.gz KSCNJYMPHMPDMH-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001401611231 1362971324 /nfs/dbraw/zinc/97/13/24/1362971324.db2.gz WDUCCBJZSDVIMT-CHWSQXEVSA-N 1 3 332.423 2.645 20 0 EFADHO Cc1cncc(CNC[C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001401638933 1362989601 /nfs/dbraw/zinc/98/96/01/1362989601.db2.gz FZVOAJGGHNRMPV-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(CNC[C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001401638933 1362989605 /nfs/dbraw/zinc/98/96/05/1362989605.db2.gz FZVOAJGGHNRMPV-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001401705917 1363039960 /nfs/dbraw/zinc/03/99/60/1363039960.db2.gz VEJSLXZSGJGFTG-ZYSHUDEJSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767925 1363104733 /nfs/dbraw/zinc/10/47/33/1363104733.db2.gz LVGHYUFOHUEKCH-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401767925 1363104734 /nfs/dbraw/zinc/10/47/34/1363104734.db2.gz LVGHYUFOHUEKCH-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001401798879 1363144604 /nfs/dbraw/zinc/14/46/04/1363144604.db2.gz OXGXGRFEPQAMOX-HKUYNNGSSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001401798879 1363144607 /nfs/dbraw/zinc/14/46/07/1363144607.db2.gz OXGXGRFEPQAMOX-HKUYNNGSSA-N 1 3 333.520 2.560 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401810505 1363160238 /nfs/dbraw/zinc/16/02/38/1363160238.db2.gz ZFOXAINFDHNQPJ-MJGOQNOKSA-N 1 3 333.520 2.889 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401810505 1363160239 /nfs/dbraw/zinc/16/02/39/1363160239.db2.gz ZFOXAINFDHNQPJ-MJGOQNOKSA-N 1 3 333.520 2.889 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC001401841938 1363180019 /nfs/dbraw/zinc/18/00/19/1363180019.db2.gz MLHPBKWRTIFGBC-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@H](CC)C1 ZINC001401873930 1363205051 /nfs/dbraw/zinc/20/50/51/1363205051.db2.gz MNOBYEIQHQTWPF-IEBWSBKVSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@H](CC)C1 ZINC001401873933 1363205060 /nfs/dbraw/zinc/20/50/60/1363205060.db2.gz MNOBYEIQHQTWPF-MJGOQNOKSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001401873998 1363206359 /nfs/dbraw/zinc/20/63/59/1363206359.db2.gz PKKTYKUMPXNGOX-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001401881014 1363211442 /nfs/dbraw/zinc/21/14/42/1363211442.db2.gz SAIRHQIUBBKASQ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@@H](CC)C1 ZINC001401879526 1363209589 /nfs/dbraw/zinc/20/95/89/1363209589.db2.gz QMKJKORHAJTSNR-HKUYNNGSSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC(C)C ZINC001401881012 1363211560 /nfs/dbraw/zinc/21/15/60/1363211560.db2.gz SAIRHQIUBBKASQ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001401971226 1363287422 /nfs/dbraw/zinc/28/74/22/1363287422.db2.gz RXKRVELSBBDGBT-SFHVURJKSA-N 1 3 343.515 2.998 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001401986956 1363303400 /nfs/dbraw/zinc/30/34/00/1363303400.db2.gz OVDAUBIBYHEDGB-UHFFFAOYSA-N 1 3 349.906 2.954 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001402000628 1363318444 /nfs/dbraw/zinc/31/84/44/1363318444.db2.gz MNDALJAMADICAO-MRXNPFEDSA-N 1 3 349.441 2.595 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCCN(CCC(F)(F)F)C2 ZINC001402000621 1363318638 /nfs/dbraw/zinc/31/86/38/1363318638.db2.gz MNDALJAMADICAO-INIZCTEOSA-N 1 3 349.441 2.595 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001402032626 1363344602 /nfs/dbraw/zinc/34/46/02/1363344602.db2.gz NQDNTGUIAOBMIN-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001402077836 1363382043 /nfs/dbraw/zinc/38/20/43/1363382043.db2.gz POXBLGVCMKRXSX-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001402087594 1363391486 /nfs/dbraw/zinc/39/14/86/1363391486.db2.gz GRQOPGDIGJXLLP-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001402159460 1363467033 /nfs/dbraw/zinc/46/70/33/1363467033.db2.gz PIJIHUBNVZTIPR-OAQYLSRUSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001402196998 1363504731 /nfs/dbraw/zinc/50/47/31/1363504731.db2.gz LRBUAUGISZLYEX-ICSRJNTNSA-N 1 3 331.504 2.663 20 0 EFADHO CC1(CNC(=O)CCC[NH+]2CCCC2)CCN(C/C=C\Cl)CC1 ZINC001402208524 1363521999 /nfs/dbraw/zinc/52/19/99/1363521999.db2.gz RSDPBXCEPZMOMY-UITAMQMPSA-N 1 3 341.927 2.833 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC12CCN(Cc1ccc(F)cc1)CC2 ZINC001402248803 1363569153 /nfs/dbraw/zinc/56/91/53/1363569153.db2.gz KFRXKLQDTOVXOU-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001402250616 1363569998 /nfs/dbraw/zinc/56/99/98/1363569998.db2.gz VWPBOHDXCSQKOZ-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001402250429 1363570103 /nfs/dbraw/zinc/57/01/03/1363570103.db2.gz UTTIIUNOXPKNBX-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC001437424222 1387633914 /nfs/dbraw/zinc/63/39/14/1387633914.db2.gz YWFTYLABCASFPO-HUUCEWRRSA-N 1 3 328.460 2.815 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001402313566 1363600426 /nfs/dbraw/zinc/60/04/26/1363600426.db2.gz NLGSYGYOLAUVSE-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)c1 ZINC001402318004 1363602410 /nfs/dbraw/zinc/60/24/10/1363602410.db2.gz RXGJVTYTYALKTR-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001402367038 1363627469 /nfs/dbraw/zinc/62/74/69/1363627469.db2.gz CAHHRXAYVVJNHZ-VQTJNVASSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001402371201 1363629487 /nfs/dbraw/zinc/62/94/87/1363629487.db2.gz HAQBFDMYYVINEE-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402384940 1363643023 /nfs/dbraw/zinc/64/30/23/1363643023.db2.gz CKWWHJOMLTURNE-CRFVKXMPSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402404637 1363664041 /nfs/dbraw/zinc/66/40/41/1363664041.db2.gz CCVGLFHCHGUKFC-KZNAEPCWSA-N 1 3 325.541 2.741 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402407168 1363666540 /nfs/dbraw/zinc/66/65/40/1363666540.db2.gz NMRKFBWNBCOHPW-UXHZXRBQSA-N 1 3 341.927 2.785 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001402422237 1363682228 /nfs/dbraw/zinc/68/22/28/1363682228.db2.gz KLGAPELARMVRPT-ZACQAIPSSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1 ZINC001402422237 1363682235 /nfs/dbraw/zinc/68/22/35/1363682235.db2.gz KLGAPELARMVRPT-ZACQAIPSSA-N 1 3 347.478 2.619 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001402511632 1363751874 /nfs/dbraw/zinc/75/18/74/1363751874.db2.gz CRZDPOGGHIXGSU-IYARVYRRSA-N 1 3 349.494 2.849 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001402543174 1363773968 /nfs/dbraw/zinc/77/39/68/1363773968.db2.gz BNXXLXHQAKBNKP-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCC1)N1CCCCCC1 ZINC001402568854 1363797350 /nfs/dbraw/zinc/79/73/50/1363797350.db2.gz CZRDGBSIPYNJFG-XMELGKRDSA-N 1 3 327.900 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622423 1363847877 /nfs/dbraw/zinc/84/78/77/1363847877.db2.gz YBDDSLQOZRGYDD-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622423 1363847881 /nfs/dbraw/zinc/84/78/81/1363847881.db2.gz YBDDSLQOZRGYDD-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccccc1C1CC1)C(=O)[C@H]1CCCN1C ZINC001402635373 1363865887 /nfs/dbraw/zinc/86/58/87/1363865887.db2.gz GMRXYDDRJWMSBC-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)[C@H]1CCCN1C ZINC001402635373 1363865890 /nfs/dbraw/zinc/86/58/90/1363865890.db2.gz GMRXYDDRJWMSBC-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402676705 1363925370 /nfs/dbraw/zinc/92/53/70/1363925370.db2.gz KIRHSIRDFLAPAA-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402676705 1363925373 /nfs/dbraw/zinc/92/53/73/1363925373.db2.gz KIRHSIRDFLAPAA-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001402699087 1363947160 /nfs/dbraw/zinc/94/71/60/1363947160.db2.gz SGUPRKUIZGWQIR-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001402699087 1363947163 /nfs/dbraw/zinc/94/71/63/1363947163.db2.gz SGUPRKUIZGWQIR-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001402701956 1363948536 /nfs/dbraw/zinc/94/85/36/1363948536.db2.gz STJBKEPULUGXNZ-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C)cc1 ZINC001402786219 1364032603 /nfs/dbraw/zinc/03/26/03/1364032603.db2.gz MQAIHYYGYWPFTO-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001402792877 1364039202 /nfs/dbraw/zinc/03/92/02/1364039202.db2.gz UEZRXYULXCDMAR-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C)CC(C)(C)C ZINC001402801247 1364048695 /nfs/dbraw/zinc/04/86/95/1364048695.db2.gz UAEUNYHIBOVZMK-HNNXBMFYSA-N 1 3 329.504 2.541 20 0 EFADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C)CC(C)(C)C ZINC001402801247 1364048701 /nfs/dbraw/zinc/04/87/01/1364048701.db2.gz UAEUNYHIBOVZMK-HNNXBMFYSA-N 1 3 329.504 2.541 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001402821645 1364069309 /nfs/dbraw/zinc/06/93/09/1364069309.db2.gz DKMVFIQROHVRGW-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1sccc1Cl ZINC001402826336 1364073288 /nfs/dbraw/zinc/07/32/88/1364073288.db2.gz VGZRAPGCDZXYPV-LBPRGKRZSA-N 1 3 343.924 2.870 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001402984110 1364181331 /nfs/dbraw/zinc/18/13/31/1364181331.db2.gz AKSZBXSHXPVMAW-IEBWSBKVSA-N 1 3 333.520 2.792 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001402999767 1364198122 /nfs/dbraw/zinc/19/81/22/1364198122.db2.gz JOTSMCGTMVFHBU-KSSFIOAISA-N 1 3 349.494 2.885 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001403097796 1364304531 /nfs/dbraw/zinc/30/45/31/1364304531.db2.gz HMFHVIWSLURCJL-CHWSQXEVSA-N 1 3 343.874 2.976 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001403133952 1364349023 /nfs/dbraw/zinc/34/90/23/1364349023.db2.gz HKBGYULUDVVRMM-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001403133952 1364349025 /nfs/dbraw/zinc/34/90/25/1364349025.db2.gz HKBGYULUDVVRMM-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001403150052 1364368128 /nfs/dbraw/zinc/36/81/28/1364368128.db2.gz RYPDSZNBEDREIR-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001403150052 1364368134 /nfs/dbraw/zinc/36/81/34/1364368134.db2.gz RYPDSZNBEDREIR-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001403150054 1364368636 /nfs/dbraw/zinc/36/86/36/1364368636.db2.gz RYPDSZNBEDREIR-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001403150054 1364368642 /nfs/dbraw/zinc/36/86/42/1364368642.db2.gz RYPDSZNBEDREIR-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO CCCc1ccc(C[N@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001437472544 1387675534 /nfs/dbraw/zinc/67/55/34/1387675534.db2.gz QEXJSTPGHCQNIT-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCCc1ccc(C[N@@H+](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001437472544 1387675539 /nfs/dbraw/zinc/67/55/39/1387675539.db2.gz QEXJSTPGHCQNIT-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403161709 1364380965 /nfs/dbraw/zinc/38/09/65/1364380965.db2.gz CWEUPTHILJQXCJ-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403161709 1364380968 /nfs/dbraw/zinc/38/09/68/1364380968.db2.gz CWEUPTHILJQXCJ-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccc(F)cc1 ZINC001403172088 1364394586 /nfs/dbraw/zinc/39/45/86/1364394586.db2.gz WDFUTMRPVAVOIE-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001403228782 1364446653 /nfs/dbraw/zinc/44/66/53/1364446653.db2.gz OBZFSCQGMZFKIQ-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccccc1 ZINC001403252737 1364464731 /nfs/dbraw/zinc/46/47/31/1364464731.db2.gz DRELSUGSAIRAHS-SFHVURJKSA-N 1 3 328.460 2.615 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001403290343 1364505634 /nfs/dbraw/zinc/50/56/34/1364505634.db2.gz KNSONYQUVHTNIX-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001403318888 1364535143 /nfs/dbraw/zinc/53/51/43/1364535143.db2.gz RNANMKCHFPMWRR-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001403318888 1364535147 /nfs/dbraw/zinc/53/51/47/1364535147.db2.gz RNANMKCHFPMWRR-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001403395481 1364600761 /nfs/dbraw/zinc/60/07/61/1364600761.db2.gz FBKDSTGJFSKHCW-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001403566016 1364768678 /nfs/dbraw/zinc/76/86/78/1364768678.db2.gz RHRFIFYCQCXVQX-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001403566016 1364768682 /nfs/dbraw/zinc/76/86/82/1364768682.db2.gz RHRFIFYCQCXVQX-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001403587631 1364789694 /nfs/dbraw/zinc/78/96/94/1364789694.db2.gz IJDOPDPFQQDRRK-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CCc1ccc(C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403690680 1364867750 /nfs/dbraw/zinc/86/77/50/1364867750.db2.gz YGFNLYHJISTZOY-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403690680 1364867754 /nfs/dbraw/zinc/86/77/54/1364867754.db2.gz YGFNLYHJISTZOY-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001403767653 1364913579 /nfs/dbraw/zinc/91/35/79/1364913579.db2.gz WYQGYJXTEAAHFZ-MRXNPFEDSA-N 1 3 331.504 2.626 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001403767653 1364913585 /nfs/dbraw/zinc/91/35/85/1364913585.db2.gz WYQGYJXTEAAHFZ-MRXNPFEDSA-N 1 3 331.504 2.626 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H]1C ZINC001403770389 1364918842 /nfs/dbraw/zinc/91/88/42/1364918842.db2.gz NDBFLGDGFZLRBZ-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001403773867 1364922984 /nfs/dbraw/zinc/92/29/84/1364922984.db2.gz ZSXBHPRVUIZSGC-APWZRJJASA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001403773867 1364922987 /nfs/dbraw/zinc/92/29/87/1364922987.db2.gz ZSXBHPRVUIZSGC-APWZRJJASA-N 1 3 331.504 2.871 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001403780481 1364931497 /nfs/dbraw/zinc/93/14/97/1364931497.db2.gz XOCWFESTOLRDMB-QWHCGFSZSA-N 1 3 336.307 2.616 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001403780481 1364931502 /nfs/dbraw/zinc/93/15/02/1364931502.db2.gz XOCWFESTOLRDMB-QWHCGFSZSA-N 1 3 336.307 2.616 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001403813875 1364969682 /nfs/dbraw/zinc/96/96/82/1364969682.db2.gz YTCRZUNIAJKTHV-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001403855056 1364999408 /nfs/dbraw/zinc/99/94/08/1364999408.db2.gz YYIZCJMDGCSFLV-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1 ZINC001403855056 1364999412 /nfs/dbraw/zinc/99/94/12/1364999412.db2.gz YYIZCJMDGCSFLV-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC(F)(F)CC1 ZINC001403937941 1365071835 /nfs/dbraw/zinc/07/18/35/1365071835.db2.gz DWJBHDJBAXXVTR-UHFFFAOYSA-N 1 3 342.434 2.524 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC(F)(F)CC1 ZINC001403937941 1365071843 /nfs/dbraw/zinc/07/18/43/1365071843.db2.gz DWJBHDJBAXXVTR-UHFFFAOYSA-N 1 3 342.434 2.524 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001404068874 1365227474 /nfs/dbraw/zinc/22/74/74/1365227474.db2.gz AVEZHMIPEZYTGI-MOPGFXCFSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001404068874 1365227479 /nfs/dbraw/zinc/22/74/79/1365227479.db2.gz AVEZHMIPEZYTGI-MOPGFXCFSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCc2cccc(C)c2)C1)N(C)C ZINC001404086062 1365246449 /nfs/dbraw/zinc/24/64/49/1365246449.db2.gz RLFQRAYMELTSOR-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCc2cccc(C)c2)C1)N(C)C ZINC001404086062 1365246452 /nfs/dbraw/zinc/24/64/52/1365246452.db2.gz RLFQRAYMELTSOR-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404091449 1365252412 /nfs/dbraw/zinc/25/24/12/1365252412.db2.gz VCFJRXLTSTYVTR-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404091449 1365252415 /nfs/dbraw/zinc/25/24/15/1365252415.db2.gz VCFJRXLTSTYVTR-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001437527537 1387731222 /nfs/dbraw/zinc/73/12/22/1387731222.db2.gz UMMIIEXTRLJYCD-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001404217524 1365359744 /nfs/dbraw/zinc/35/97/44/1365359744.db2.gz OCTPMHATLVBMCU-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001404217524 1365359749 /nfs/dbraw/zinc/35/97/49/1365359749.db2.gz OCTPMHATLVBMCU-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO CN(C/C=C\Cl)CC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001404617936 1365719390 /nfs/dbraw/zinc/71/93/90/1365719390.db2.gz IFZFGLJZHPNGDY-UITAMQMPSA-N 1 3 341.927 2.785 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001405080733 1366007179 /nfs/dbraw/zinc/00/71/79/1366007179.db2.gz ULOFOZVDVWBBKP-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001437569776 1387781109 /nfs/dbraw/zinc/78/11/09/1387781109.db2.gz KMSSBIYJDZECQH-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001437569776 1387781115 /nfs/dbraw/zinc/78/11/15/1387781115.db2.gz KMSSBIYJDZECQH-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405139358 1366051700 /nfs/dbraw/zinc/05/17/00/1366051700.db2.gz DUOADCJGNTUNIL-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405139358 1366051704 /nfs/dbraw/zinc/05/17/04/1366051704.db2.gz DUOADCJGNTUNIL-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)C1(N(C)C)CCC1 ZINC001405344185 1366154044 /nfs/dbraw/zinc/15/40/44/1366154044.db2.gz APICKXYYMIFGBO-SFHVURJKSA-N 1 3 331.504 2.718 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)c(F)c1 ZINC001405350333 1366157589 /nfs/dbraw/zinc/15/75/89/1366157589.db2.gz DKWLBLFJZKYTKL-MRXNPFEDSA-N 1 3 335.467 2.603 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(NCc2ccccc2F)CCCC1)[NH+](C)C ZINC001405753457 1366387761 /nfs/dbraw/zinc/38/77/61/1366387761.db2.gz IXLZCKSCYSXTAD-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001405756519 1366390410 /nfs/dbraw/zinc/39/04/10/1366390410.db2.gz DQLZBQFPHXLVDX-CQSZACIVSA-N 1 3 349.441 2.830 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001405820461 1366439293 /nfs/dbraw/zinc/43/92/93/1366439293.db2.gz CELFRFKEVBBNCV-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001405976890 1367039106 /nfs/dbraw/zinc/03/91/06/1367039106.db2.gz RIEQYDSFNQGBFQ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001405979690 1367043421 /nfs/dbraw/zinc/04/34/21/1367043421.db2.gz SWVXMYAXXZTTLI-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001405979691 1367044030 /nfs/dbraw/zinc/04/40/30/1367044030.db2.gz SWVXMYAXXZTTLI-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001406008157 1367085562 /nfs/dbraw/zinc/08/55/62/1367085562.db2.gz VTFHFVGWNMFHIR-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001406145531 1367314325 /nfs/dbraw/zinc/31/43/25/1367314325.db2.gz IPIFFRZDYNLPEH-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001406145531 1367314330 /nfs/dbraw/zinc/31/43/30/1367314330.db2.gz IPIFFRZDYNLPEH-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CCC(F)(F)CC1 ZINC001437637084 1387870901 /nfs/dbraw/zinc/87/09/01/1387870901.db2.gz JOHFPJHSAKKQOI-MRXNPFEDSA-N 1 3 347.494 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)CC1CCC(F)(F)CC1 ZINC001437637084 1387870903 /nfs/dbraw/zinc/87/09/03/1387870903.db2.gz JOHFPJHSAKKQOI-MRXNPFEDSA-N 1 3 347.494 2.836 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001406310854 1367465303 /nfs/dbraw/zinc/46/53/03/1367465303.db2.gz PWRSRODDHLTHPG-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)CN(C)C1CCC1 ZINC001406325721 1367484915 /nfs/dbraw/zinc/48/49/15/1367484915.db2.gz LDAQSIXTVQRRMF-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001406325398 1367485279 /nfs/dbraw/zinc/48/52/79/1367485279.db2.gz KVLGRCVXEOCIJH-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001406362664 1367523941 /nfs/dbraw/zinc/52/39/41/1367523941.db2.gz YNQFIKTWUAIWDJ-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO CCN(CCNC(=O)CC[N@H+](C)CC)[C@@H]1CCc2c1cccc2F ZINC001437644279 1387882643 /nfs/dbraw/zinc/88/26/43/1387882643.db2.gz WOFWYUOAHHPWDA-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCN(CCNC(=O)CC[N@@H+](C)CC)[C@@H]1CCc2c1cccc2F ZINC001437644279 1387882650 /nfs/dbraw/zinc/88/26/50/1387882650.db2.gz WOFWYUOAHHPWDA-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001406405047 1367552393 /nfs/dbraw/zinc/55/23/93/1367552393.db2.gz PVHRWFPUYANCNZ-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CN(C)CC(C)(C)C ZINC001406526115 1367685882 /nfs/dbraw/zinc/68/58/82/1367685882.db2.gz CDYOIKUGCRNWKP-KBXCAEBGSA-N 1 3 349.494 2.885 20 0 EFADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001406719160 1367968302 /nfs/dbraw/zinc/96/83/02/1367968302.db2.gz JGTJRHDPCBEIDS-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001406779469 1368039365 /nfs/dbraw/zinc/03/93/65/1368039365.db2.gz OSRPSMJMGPHEHR-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN1CCCc1ccccc1 ZINC001406894430 1368181182 /nfs/dbraw/zinc/18/11/82/1368181182.db2.gz DGXAHFVYYAYQQP-HXUWFJFHSA-N 1 3 343.515 2.686 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001406917531 1368210527 /nfs/dbraw/zinc/21/05/27/1368210527.db2.gz IMJUASWEEMLESI-QGZVFWFLSA-N 1 3 349.906 2.951 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CC1 ZINC001406928052 1368222432 /nfs/dbraw/zinc/22/24/32/1368222432.db2.gz WPIGHTKXWRBECR-GOSISDBHSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2c(C)cc(C)cc2C)CC1)N(C)C ZINC001406966306 1368257043 /nfs/dbraw/zinc/25/70/43/1368257043.db2.gz OMBQEJZYGZFQFM-SFHVURJKSA-N 1 3 331.504 2.690 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1)N(C)C ZINC001407023875 1368340462 /nfs/dbraw/zinc/34/04/62/1368340462.db2.gz UNFAMDNESSRKQB-HQWZXOHUSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C/C=C/Cl)CC2CC2)CC1)N(C)C ZINC001407023875 1368340468 /nfs/dbraw/zinc/34/04/68/1368340468.db2.gz UNFAMDNESSRKQB-HQWZXOHUSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001407108851 1368434539 /nfs/dbraw/zinc/43/45/39/1368434539.db2.gz IZVCFKQFVWYLKB-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001407125106 1368456936 /nfs/dbraw/zinc/45/69/36/1368456936.db2.gz QPSKRADKBYUUCM-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(CCc2ccccc2F)CC1 ZINC001407125106 1368456940 /nfs/dbraw/zinc/45/69/40/1368456940.db2.gz QPSKRADKBYUUCM-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2csc(C)c2)CC1 ZINC001407126814 1368457998 /nfs/dbraw/zinc/45/79/98/1368457998.db2.gz XGPNCHXHBHJBBZ-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2csc(C)c2)CC1 ZINC001407126814 1368458002 /nfs/dbraw/zinc/45/80/02/1368458002.db2.gz XGPNCHXHBHJBBZ-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001407235470 1368627486 /nfs/dbraw/zinc/62/74/86/1368627486.db2.gz JVOPDCKZPIFHHJ-AZUAARDMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1cccc(C)c1 ZINC001492967508 1369237479 /nfs/dbraw/zinc/23/74/79/1369237479.db2.gz MKNRWMXBPZCAFN-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1cccc(C)c1 ZINC001492967508 1369237484 /nfs/dbraw/zinc/23/74/84/1369237484.db2.gz MKNRWMXBPZCAFN-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CCC1)N(C)C ZINC001407807454 1369258579 /nfs/dbraw/zinc/25/85/79/1369258579.db2.gz XMTWEHBWKUNQHB-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2)CCC1)CC(C)(C)C ZINC001407809472 1369260765 /nfs/dbraw/zinc/26/07/65/1369260765.db2.gz VGCKMXNTGQLECD-UHFFFAOYSA-N 1 3 331.504 2.793 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NC/C=C/Cl)CCC2)cc1 ZINC001407817543 1369267957 /nfs/dbraw/zinc/26/79/57/1369267957.db2.gz AOZVYFRNUSFFHY-NYYWCZLTSA-N 1 3 335.879 2.743 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc3c(c2)CCC3)CCC1 ZINC001407832199 1369285744 /nfs/dbraw/zinc/28/57/44/1369285744.db2.gz XKRGVURNWQDDOG-UHFFFAOYSA-N 1 3 343.515 2.646 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001407872610 1369333818 /nfs/dbraw/zinc/33/38/18/1369333818.db2.gz GCBRGSRPCXEHIA-PMACEKPBSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001407872610 1369333820 /nfs/dbraw/zinc/33/38/20/1369333820.db2.gz GCBRGSRPCXEHIA-PMACEKPBSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001407927035 1369413058 /nfs/dbraw/zinc/41/30/58/1369413058.db2.gz YBJBHVGKNVNRFP-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001407927035 1369413060 /nfs/dbraw/zinc/41/30/60/1369413060.db2.gz YBJBHVGKNVNRFP-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001408103389 1369610087 /nfs/dbraw/zinc/61/00/87/1369610087.db2.gz YRWJAKZGSUARRN-QAPCUYQASA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001408120987 1369625056 /nfs/dbraw/zinc/62/50/56/1369625056.db2.gz VGXATHOYWSNOOO-DKVQLLHESA-N 1 3 341.499 2.621 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001408199876 1369707177 /nfs/dbraw/zinc/70/71/77/1369707177.db2.gz UHDULPYDELHZPE-KRWDZBQOSA-N 1 3 331.504 2.506 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001408200222 1369707572 /nfs/dbraw/zinc/70/75/72/1369707572.db2.gz ZPMVKPTTXLQDFW-GJBHZFNWSA-N 1 3 329.488 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001408254311 1369755174 /nfs/dbraw/zinc/75/51/74/1369755174.db2.gz XXBJYGNARGOHTE-LBPRGKRZSA-N 1 3 342.434 2.571 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1 ZINC001437760407 1388024349 /nfs/dbraw/zinc/02/43/49/1388024349.db2.gz FHAOLOPGNGPIRY-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)cc1 ZINC001437760407 1388024356 /nfs/dbraw/zinc/02/43/56/1388024356.db2.gz FHAOLOPGNGPIRY-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)CN1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001408267739 1369765556 /nfs/dbraw/zinc/76/55/56/1369765556.db2.gz VGNBNPOMIGCFGZ-LJQANCHMSA-N 1 3 343.515 2.700 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001408293725 1369786993 /nfs/dbraw/zinc/78/69/93/1369786993.db2.gz LDFWQJDPAPAAKE-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001408293725 1369787002 /nfs/dbraw/zinc/78/70/02/1369787002.db2.gz LDFWQJDPAPAAKE-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001414556188 1370436790 /nfs/dbraw/zinc/43/67/90/1370436790.db2.gz KHWHDNBGRPNVPZ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001414556188 1370436796 /nfs/dbraw/zinc/43/67/96/1370436796.db2.gz KHWHDNBGRPNVPZ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1 ZINC001437812076 1388107051 /nfs/dbraw/zinc/10/70/51/1388107051.db2.gz KSNHLIYTAUNJON-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1cccc(C)c1)C1CC1 ZINC001437812076 1388107063 /nfs/dbraw/zinc/10/70/63/1388107063.db2.gz KSNHLIYTAUNJON-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001437833635 1388125335 /nfs/dbraw/zinc/12/53/35/1388125335.db2.gz ZEGSEKJNZMPFAH-ZDUSSCGKSA-N 1 3 343.874 2.930 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001417769495 1373233487 /nfs/dbraw/zinc/23/34/87/1373233487.db2.gz OFDGKZPIDIZZBO-GJKYOWFBSA-N 1 3 341.499 2.526 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001417774056 1373239252 /nfs/dbraw/zinc/23/92/52/1373239252.db2.gz JZCCDMQXTYINSM-KHYOSLBOSA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001417778033 1373244477 /nfs/dbraw/zinc/24/44/77/1373244477.db2.gz NMKPAUPHGYIBHD-OTWHNJEPSA-N 1 3 331.504 2.628 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001417799970 1373267629 /nfs/dbraw/zinc/26/76/29/1373267629.db2.gz FTCFAUNKJDUDGN-KOMQPUFPSA-N 1 3 337.895 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001417816676 1373288791 /nfs/dbraw/zinc/28/87/91/1373288791.db2.gz ZCAGKPGYQHMJNP-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001417918871 1373414361 /nfs/dbraw/zinc/41/43/61/1373414361.db2.gz SXTJRAJARNISQS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001417918871 1373414364 /nfs/dbraw/zinc/41/43/64/1373414364.db2.gz SXTJRAJARNISQS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001417951776 1373443378 /nfs/dbraw/zinc/44/33/78/1373443378.db2.gz CMORGRJCWBAMPM-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001418063360 1373569607 /nfs/dbraw/zinc/56/96/07/1373569607.db2.gz QTRSKCGLQRRKSJ-RBSFLKMASA-N 1 3 333.451 2.608 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001418065369 1373571606 /nfs/dbraw/zinc/57/16/06/1373571606.db2.gz ZZCJLIWJPNMVDB-IYARVYRRSA-N 1 3 329.488 2.525 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001418143911 1373670908 /nfs/dbraw/zinc/67/09/08/1373670908.db2.gz WSOQVASFAKHOJP-LJQANCHMSA-N 1 3 345.531 2.993 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001418145964 1373672481 /nfs/dbraw/zinc/67/24/81/1373672481.db2.gz JERMUWPBYWYGAO-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001418148989 1373676578 /nfs/dbraw/zinc/67/65/78/1373676578.db2.gz VZRNABHGZIOPGC-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001418172012 1373724575 /nfs/dbraw/zinc/72/45/75/1373724575.db2.gz IRJWAZRTTLTUCP-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001418172012 1373724578 /nfs/dbraw/zinc/72/45/78/1373724578.db2.gz IRJWAZRTTLTUCP-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418174505 1373730816 /nfs/dbraw/zinc/73/08/16/1373730816.db2.gz MCRODBNBDQQHLX-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCC(NC/C(Cl)=C/Cl)CC2)CC1 ZINC001418186149 1373749577 /nfs/dbraw/zinc/74/95/77/1373749577.db2.gz MUAGVPWEKDBLGF-XFXZXTDPSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001418277517 1373848924 /nfs/dbraw/zinc/84/89/24/1373848924.db2.gz XBCCIHDJBHESLT-CQSZACIVSA-N 1 3 347.494 2.884 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001418278090 1373850009 /nfs/dbraw/zinc/85/00/09/1373850009.db2.gz MLMKAFYJFQYSKL-HXUWFJFHSA-N 1 3 343.515 2.843 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001418278090 1373850015 /nfs/dbraw/zinc/85/00/15/1373850015.db2.gz MLMKAFYJFQYSKL-HXUWFJFHSA-N 1 3 343.515 2.843 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001418367899 1373941935 /nfs/dbraw/zinc/94/19/35/1373941935.db2.gz QAHODWIOYGFKQJ-IRXDYDNUSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001418393620 1373975017 /nfs/dbraw/zinc/97/50/17/1373975017.db2.gz AGOWBEHPUGTKIP-GOSISDBHSA-N 1 3 345.531 2.978 20 0 EFADHO CN(C/C=C\Cl)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437992284 1388305004 /nfs/dbraw/zinc/30/50/04/1388305004.db2.gz HYGUERQMRQCGSZ-WTKPLQERSA-N 1 3 339.911 2.538 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cc(C)cc1C ZINC001418562612 1374185366 /nfs/dbraw/zinc/18/53/66/1374185366.db2.gz RGSFAJRWWBZVLO-INIZCTEOSA-N 1 3 345.531 2.892 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cc(C)cc1C ZINC001418562612 1374185370 /nfs/dbraw/zinc/18/53/70/1374185370.db2.gz RGSFAJRWWBZVLO-INIZCTEOSA-N 1 3 345.531 2.892 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001418635472 1374301454 /nfs/dbraw/zinc/30/14/54/1374301454.db2.gz RSUHKHPOPLWDLU-HRCADAONSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658603 1374334303 /nfs/dbraw/zinc/33/43/03/1374334303.db2.gz NBXWIVAHGXJXKM-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658603 1374334309 /nfs/dbraw/zinc/33/43/09/1374334309.db2.gz NBXWIVAHGXJXKM-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001418676820 1374355745 /nfs/dbraw/zinc/35/57/45/1374355745.db2.gz UYSVWBKLQUHZME-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001418689694 1374372624 /nfs/dbraw/zinc/37/26/24/1374372624.db2.gz NBLOXVKHVMASMI-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001418689694 1374372627 /nfs/dbraw/zinc/37/26/27/1374372627.db2.gz NBLOXVKHVMASMI-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001418690251 1374373296 /nfs/dbraw/zinc/37/32/96/1374373296.db2.gz NTXUJIPQIJRUGH-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001418690251 1374373299 /nfs/dbraw/zinc/37/32/99/1374373299.db2.gz NTXUJIPQIJRUGH-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001418694852 1374379515 /nfs/dbraw/zinc/37/95/15/1374379515.db2.gz COBZPECLGUVLAS-XSWJXKHESA-N 1 3 335.467 2.711 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001418701629 1374388402 /nfs/dbraw/zinc/38/84/02/1374388402.db2.gz WTXXDLSCYXJNQE-SFHVURJKSA-N 1 3 347.478 2.640 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001418775391 1374486549 /nfs/dbraw/zinc/48/65/49/1374486549.db2.gz GBPICMLXIQHDHI-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799075 1374518603 /nfs/dbraw/zinc/51/86/03/1374518603.db2.gz SSVZTEXYUBQKNR-HOCLYGCPSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799075 1374518605 /nfs/dbraw/zinc/51/86/05/1374518605.db2.gz SSVZTEXYUBQKNR-HOCLYGCPSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438020136 1388322206 /nfs/dbraw/zinc/32/22/06/1388322206.db2.gz ASIHSFOFBIOKRR-KZNAEPCWSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438020136 1388322210 /nfs/dbraw/zinc/32/22/10/1388322210.db2.gz ASIHSFOFBIOKRR-KZNAEPCWSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001418890058 1374639365 /nfs/dbraw/zinc/63/93/65/1374639365.db2.gz KGDUIDWTXWKCCK-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001418890058 1374639369 /nfs/dbraw/zinc/63/93/69/1374639369.db2.gz KGDUIDWTXWKCCK-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001418931739 1374697985 /nfs/dbraw/zinc/69/79/85/1374697985.db2.gz CRSOQOPSSJUHKJ-KRWDZBQOSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001418931739 1374697989 /nfs/dbraw/zinc/69/79/89/1374697989.db2.gz CRSOQOPSSJUHKJ-KRWDZBQOSA-N 1 3 349.494 2.756 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001418943588 1374716049 /nfs/dbraw/zinc/71/60/49/1374716049.db2.gz ZQIBCZDFQGZMBA-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[N@@H+](C)CC)C1 ZINC001418943588 1374716051 /nfs/dbraw/zinc/71/60/51/1374716051.db2.gz ZQIBCZDFQGZMBA-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001418945895 1374719054 /nfs/dbraw/zinc/71/90/54/1374719054.db2.gz IANQURDLWBKYSW-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1 ZINC001419076552 1374816131 /nfs/dbraw/zinc/81/61/31/1374816131.db2.gz IWFTZQBWKGHQON-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001419079351 1374818942 /nfs/dbraw/zinc/81/89/42/1374818942.db2.gz YYHWQOQSBFBHSK-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419188513 1374933906 /nfs/dbraw/zinc/93/39/06/1374933906.db2.gz DNXDEXFWXXAXMG-IEBWSBKVSA-N 1 3 329.488 2.814 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001419188441 1374934086 /nfs/dbraw/zinc/93/40/86/1374934086.db2.gz BYTZLVVCTGOVJC-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001419190957 1374937370 /nfs/dbraw/zinc/93/73/70/1374937370.db2.gz GZKDRYYTNNHYEI-AEFFLSMTSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC001419210388 1374956253 /nfs/dbraw/zinc/95/62/53/1374956253.db2.gz OJCRLLDFSUPBTK-RBUKOAKNSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC001419210397 1374956422 /nfs/dbraw/zinc/95/64/22/1374956422.db2.gz OJCRLLDFSUPBTK-RTBURBONSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)ccc1C ZINC001419266828 1375014283 /nfs/dbraw/zinc/01/42/83/1375014283.db2.gz YVSOZYOBYPUCBW-RBUKOAKNSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001419343712 1375135411 /nfs/dbraw/zinc/13/54/11/1375135411.db2.gz STJZXXIGLQKLBQ-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001419377098 1375190334 /nfs/dbraw/zinc/19/03/34/1375190334.db2.gz JZGQSLAEVIXGBA-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001419390512 1375209549 /nfs/dbraw/zinc/20/95/49/1375209549.db2.gz UWEBQSUNDBPJRS-LJQANCHMSA-N 1 3 331.504 2.921 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001419415198 1375243981 /nfs/dbraw/zinc/24/39/81/1375243981.db2.gz VZBPAEHWJJZJAD-WGSAOQKQSA-N 1 3 345.531 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1 ZINC001419426151 1375258124 /nfs/dbraw/zinc/25/81/24/1375258124.db2.gz NAVBFICTKSPFSZ-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1Cl ZINC001419474189 1375318874 /nfs/dbraw/zinc/31/88/74/1375318874.db2.gz YKSXWBUDURCWPL-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001419528501 1375392342 /nfs/dbraw/zinc/39/23/42/1375392342.db2.gz PRHQTBZZICRJHI-KDOFPFPSSA-N 1 3 340.471 2.680 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001419554168 1375441443 /nfs/dbraw/zinc/44/14/43/1375441443.db2.gz XNUSGQWFUQLUDZ-HUQFFUELSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001419611174 1375536641 /nfs/dbraw/zinc/53/66/41/1375536641.db2.gz LRZKEJJHMHTOBK-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419664872 1375664111 /nfs/dbraw/zinc/66/41/11/1375664111.db2.gz HMYRDDWKPLSTKB-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1C ZINC001419745933 1375805924 /nfs/dbraw/zinc/80/59/24/1375805924.db2.gz SHOVCVBJBRGCJV-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001419750082 1375811663 /nfs/dbraw/zinc/81/16/63/1375811663.db2.gz ZOGOJQSUINENRJ-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438191265 1388407643 /nfs/dbraw/zinc/40/76/43/1388407643.db2.gz BJTWBDCUJUJXEJ-IPMKNSEASA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438191265 1388407647 /nfs/dbraw/zinc/40/76/47/1388407647.db2.gz BJTWBDCUJUJXEJ-IPMKNSEASA-N 1 3 331.504 2.914 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1)CC(C)(C)C ZINC001419837986 1375965877 /nfs/dbraw/zinc/96/58/77/1375965877.db2.gz IYGYVHVLIPFCPR-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1)CC(C)(C)C ZINC001419837986 1375965883 /nfs/dbraw/zinc/96/58/83/1375965883.db2.gz IYGYVHVLIPFCPR-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001419856173 1376010645 /nfs/dbraw/zinc/01/06/45/1376010645.db2.gz WCQHOADLFDRPTN-KRWDZBQOSA-N 1 3 333.520 2.610 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CC(F)(F)C1 ZINC001419908649 1376110637 /nfs/dbraw/zinc/11/06/37/1376110637.db2.gz PDPGZTBIJBZDMT-HNNXBMFYSA-N 1 3 347.494 2.740 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)c1 ZINC001419910775 1376112815 /nfs/dbraw/zinc/11/28/15/1376112815.db2.gz SHVRDPWGERJINU-RBUKOAKNSA-N 1 3 333.520 2.812 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001420001121 1376260830 /nfs/dbraw/zinc/26/08/30/1376260830.db2.gz CXBQYAUPSDDECU-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001420001121 1376260840 /nfs/dbraw/zinc/26/08/40/1376260840.db2.gz CXBQYAUPSDDECU-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC001420002740 1376263833 /nfs/dbraw/zinc/26/38/33/1376263833.db2.gz DAKXXTZGHLQBPY-LJQANCHMSA-N 1 3 333.520 2.725 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001420028232 1376316347 /nfs/dbraw/zinc/31/63/47/1376316347.db2.gz LGDLZEVVRLEWFD-ZWKOTPCHSA-N 1 3 329.488 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001420073185 1376420641 /nfs/dbraw/zinc/42/06/41/1376420641.db2.gz HRGZKRUQAYMSRC-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CCCC2)C1 ZINC001420073185 1376420659 /nfs/dbraw/zinc/42/06/59/1376420659.db2.gz HRGZKRUQAYMSRC-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001420078060 1376429445 /nfs/dbraw/zinc/42/94/45/1376429445.db2.gz OAYWLWUIDRRGHZ-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2F)C1 ZINC001420078060 1376429450 /nfs/dbraw/zinc/42/94/50/1376429450.db2.gz OAYWLWUIDRRGHZ-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001420139589 1376497829 /nfs/dbraw/zinc/49/78/29/1376497829.db2.gz PNCKGHGJYJHXSY-CJNGLKHVSA-N 1 3 325.884 2.665 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001420299047 1376688713 /nfs/dbraw/zinc/68/87/13/1376688713.db2.gz KTZKALUEOYVGAD-CRAIPNDOSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001420304137 1376696101 /nfs/dbraw/zinc/69/61/01/1376696101.db2.gz BDKGPLVIEZRSLU-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001420304137 1376696109 /nfs/dbraw/zinc/69/61/09/1376696109.db2.gz BDKGPLVIEZRSLU-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1C ZINC001420343195 1376769536 /nfs/dbraw/zinc/76/95/36/1376769536.db2.gz MUESSZIWZZHJGU-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO Cc1cccc([C@H](C)N(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001420350328 1376782766 /nfs/dbraw/zinc/78/27/66/1376782766.db2.gz ONNHARGMNGRQOQ-SFHVURJKSA-N 1 3 331.504 2.980 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438269644 1388469656 /nfs/dbraw/zinc/46/96/56/1388469656.db2.gz NKJDJCKBLGUANX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001438269644 1388469658 /nfs/dbraw/zinc/46/96/58/1388469658.db2.gz NKJDJCKBLGUANX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cc(C)cc(C)c1 ZINC001420430654 1376953815 /nfs/dbraw/zinc/95/38/15/1376953815.db2.gz WGWANYRYYODRKX-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cc(C)cc(C)c1 ZINC001420430654 1376953816 /nfs/dbraw/zinc/95/38/16/1376953816.db2.gz WGWANYRYYODRKX-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO C[C@@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)CN(C)C1CCC1 ZINC001420441268 1376982005 /nfs/dbraw/zinc/98/20/05/1376982005.db2.gz YRGSQXHGWYTAIS-AWEZNQCLSA-N 1 3 329.444 2.511 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001420491493 1377070065 /nfs/dbraw/zinc/07/00/65/1377070065.db2.gz DNBRREWXUYQLCM-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001420491493 1377070066 /nfs/dbraw/zinc/07/00/66/1377070066.db2.gz DNBRREWXUYQLCM-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001420499376 1377085850 /nfs/dbraw/zinc/08/58/50/1377085850.db2.gz WVQGDKGFEYVEAO-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1cc(C)sc1C ZINC001420499376 1377085853 /nfs/dbraw/zinc/08/58/53/1377085853.db2.gz WVQGDKGFEYVEAO-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001420509148 1377105533 /nfs/dbraw/zinc/10/55/33/1377105533.db2.gz UWDKKWMPPCVQCC-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420586430 1377257094 /nfs/dbraw/zinc/25/70/94/1377257094.db2.gz RIRUDCBMNVDSJO-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420586430 1377257098 /nfs/dbraw/zinc/25/70/98/1377257098.db2.gz RIRUDCBMNVDSJO-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587841 1377261443 /nfs/dbraw/zinc/26/14/43/1377261443.db2.gz VBRMBMKFMMZFOS-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587841 1377261449 /nfs/dbraw/zinc/26/14/49/1377261449.db2.gz VBRMBMKFMMZFOS-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001420590119 1377266579 /nfs/dbraw/zinc/26/65/79/1377266579.db2.gz ZLSHOEYSWSGSOA-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001420590119 1377266581 /nfs/dbraw/zinc/26/65/81/1377266581.db2.gz ZLSHOEYSWSGSOA-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001420597255 1377284411 /nfs/dbraw/zinc/28/44/11/1377284411.db2.gz KCNLXQRHSZWJCJ-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001420597255 1377284413 /nfs/dbraw/zinc/28/44/13/1377284413.db2.gz KCNLXQRHSZWJCJ-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616348 1377333575 /nfs/dbraw/zinc/33/35/75/1377333575.db2.gz UFEXHCFURRJCNB-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001420631996 1377375112 /nfs/dbraw/zinc/37/51/12/1377375112.db2.gz JIXUVWLCFFFMSW-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001420631996 1377375113 /nfs/dbraw/zinc/37/51/13/1377375113.db2.gz JIXUVWLCFFFMSW-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC001420651039 1377416663 /nfs/dbraw/zinc/41/66/63/1377416663.db2.gz WZRWMNIHNRNHLK-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1C ZINC001420651039 1377416665 /nfs/dbraw/zinc/41/66/65/1377416665.db2.gz WZRWMNIHNRNHLK-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001420723043 1377567048 /nfs/dbraw/zinc/56/70/48/1377567048.db2.gz FWFWGUQQDRFUKK-LRDDRELGSA-N 1 3 343.874 2.928 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CCC2CC2)c2ccccc2)CCC1 ZINC001420772129 1377637455 /nfs/dbraw/zinc/63/74/55/1377637455.db2.gz FQRRNRJTSPEVLP-GOSISDBHSA-N 1 3 329.488 2.718 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001420790557 1377673445 /nfs/dbraw/zinc/67/34/45/1377673445.db2.gz GRUXFVIVHKFHIQ-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933039 1377901321 /nfs/dbraw/zinc/90/13/21/1377901321.db2.gz SPGRDRILZWVDCC-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933039 1377901325 /nfs/dbraw/zinc/90/13/25/1377901325.db2.gz SPGRDRILZWVDCC-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001420958528 1377938425 /nfs/dbraw/zinc/93/84/25/1377938425.db2.gz IANGYSSIXGFKAO-SJORKVTESA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001420959915 1377943214 /nfs/dbraw/zinc/94/32/14/1377943214.db2.gz QIYOPFCSQOXMLZ-UHFFFAOYSA-N 1 3 345.462 2.501 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001421007200 1378011566 /nfs/dbraw/zinc/01/15/66/1378011566.db2.gz SZICLBVVRPHGIB-UHFFFAOYSA-N 1 3 349.906 2.954 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001438356754 1388530449 /nfs/dbraw/zinc/53/04/49/1388530449.db2.gz GLTPEMHZXWLQAI-FUHWJXTLSA-N 1 3 340.471 2.823 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001421100020 1378125189 /nfs/dbraw/zinc/12/51/89/1378125189.db2.gz GWHXTQDJBZXWOA-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC001421143067 1378178464 /nfs/dbraw/zinc/17/84/64/1378178464.db2.gz WVNHYROBONOTHB-KXBFYZLASA-N 1 3 347.478 2.735 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001421256235 1378358853 /nfs/dbraw/zinc/35/88/53/1378358853.db2.gz MWZRJJJZJJQWJK-OXQOHEQNSA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001421257573 1378361252 /nfs/dbraw/zinc/36/12/52/1378361252.db2.gz QQRBFSLEHKUQCZ-AZUAARDMSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2csc(C)c2)C1 ZINC001421264721 1378375502 /nfs/dbraw/zinc/37/55/02/1378375502.db2.gz VLNPTCHPPBGBTO-SFHVURJKSA-N 1 3 337.533 2.727 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]Cc3ccc(F)cc3)CCCC2)C1 ZINC001438399109 1388561025 /nfs/dbraw/zinc/56/10/25/1388561025.db2.gz HBSBHFHJXMVYFJ-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@H](NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526372 1378751815 /nfs/dbraw/zinc/75/18/15/1378751815.db2.gz HQKOKBNZMQAKQV-JKSUJKDBSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526372 1378751816 /nfs/dbraw/zinc/75/18/16/1378751816.db2.gz HQKOKBNZMQAKQV-JKSUJKDBSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001421536908 1378773641 /nfs/dbraw/zinc/77/36/41/1378773641.db2.gz ZEAMLOXBKYIVQR-ZHBQJWOISA-N 1 3 348.318 2.616 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571457 1378828131 /nfs/dbraw/zinc/82/81/31/1378828131.db2.gz FUKULYLJEQXYOH-HAGHYFMRSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571457 1378828141 /nfs/dbraw/zinc/82/81/41/1378828141.db2.gz FUKULYLJEQXYOH-HAGHYFMRSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]Cc2ccccc2)cc1)N(C)C ZINC001421607448 1378876056 /nfs/dbraw/zinc/87/60/56/1378876056.db2.gz JKTJSJJJXKBIIE-FQEVSTJZSA-N 1 3 339.483 2.933 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](CC2CCC2)CC1)CC(C)(C)C ZINC001421632516 1378914106 /nfs/dbraw/zinc/91/41/06/1378914106.db2.gz JVMQDWCGIBTBQQ-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001421758243 1379088733 /nfs/dbraw/zinc/08/87/33/1379088733.db2.gz IWPPRNGGQUUMAV-RHSMWYFYSA-N 1 3 339.911 2.768 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001421815179 1379166331 /nfs/dbraw/zinc/16/63/31/1379166331.db2.gz AJTQYTNZCPXKPJ-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001421815179 1379166332 /nfs/dbraw/zinc/16/63/32/1379166332.db2.gz AJTQYTNZCPXKPJ-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823202 1379182289 /nfs/dbraw/zinc/18/22/89/1379182289.db2.gz QUWMWBQIWNEGAO-RBUKOAKNSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823202 1379182300 /nfs/dbraw/zinc/18/23/00/1379182300.db2.gz QUWMWBQIWNEGAO-RBUKOAKNSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001421852877 1379240806 /nfs/dbraw/zinc/24/08/06/1379240806.db2.gz PZXSHRRQCPOTPG-KRWDZBQOSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001421868382 1379272848 /nfs/dbraw/zinc/27/28/48/1379272848.db2.gz DETPMNMQZIMOQJ-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001421868382 1379272851 /nfs/dbraw/zinc/27/28/51/1379272851.db2.gz DETPMNMQZIMOQJ-GOSISDBHSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)CN(C)C1CCC1 ZINC001421902136 1379330346 /nfs/dbraw/zinc/33/03/46/1379330346.db2.gz KKHSCUBUTSWRQW-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001438442666 1388604248 /nfs/dbraw/zinc/60/42/48/1388604248.db2.gz AANPSFDLNWIOFB-FHWLQOOXSA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001421935086 1379373618 /nfs/dbraw/zinc/37/36/18/1379373618.db2.gz BGLNAQBOKKPSTK-BEFAXECRSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001421968712 1379424591 /nfs/dbraw/zinc/42/45/91/1379424591.db2.gz YUGZBQRCRCRDNS-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccc(CC)cc2)[C@@H](C)C1 ZINC001422048574 1379539944 /nfs/dbraw/zinc/53/99/44/1379539944.db2.gz MWXCFAALSCFLIA-PXNSSMCTSA-N 1 3 345.531 2.570 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001422053423 1379547596 /nfs/dbraw/zinc/54/75/96/1379547596.db2.gz UBFNCQVGUDIKOO-QFBILLFUSA-N 1 3 331.504 2.527 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001422056662 1379551164 /nfs/dbraw/zinc/55/11/64/1379551164.db2.gz GCIWXCZEXVASEM-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001422056662 1379551168 /nfs/dbraw/zinc/55/11/68/1379551168.db2.gz GCIWXCZEXVASEM-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN(CCF)CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001422058150 1379554614 /nfs/dbraw/zinc/55/46/14/1379554614.db2.gz BYDHNTMIJWETRX-UHFFFAOYSA-N 1 3 341.515 2.783 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001422061123 1379558047 /nfs/dbraw/zinc/55/80/47/1379558047.db2.gz YPJQGWKZUFDHSH-GOEBONIOSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCC1CCN(Cc2ccccc2F)CC1 ZINC001438452227 1388615442 /nfs/dbraw/zinc/61/54/42/1388615442.db2.gz FHFHQJAQMGILJQ-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCC1CCN(Cc2ccccc2F)CC1 ZINC001438452227 1388615445 /nfs/dbraw/zinc/61/54/45/1388615445.db2.gz FHFHQJAQMGILJQ-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001422093917 1379602819 /nfs/dbraw/zinc/60/28/19/1379602819.db2.gz JIYFDNKSFHBATI-GOSISDBHSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001422095651 1379604821 /nfs/dbraw/zinc/60/48/21/1379604821.db2.gz NAXCVEDQSPHALX-BEBFYNPSSA-N 1 3 343.515 2.915 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001422117484 1379635558 /nfs/dbraw/zinc/63/55/58/1379635558.db2.gz CAHLYURJQBPHJQ-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(F)cc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001422131375 1379659247 /nfs/dbraw/zinc/65/92/47/1379659247.db2.gz RMPJKJOUZHORJY-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1F ZINC001422133054 1379663163 /nfs/dbraw/zinc/66/31/63/1379663163.db2.gz UISJYBZPRPFQDQ-SJLPKXTDSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1F ZINC001422133065 1379663444 /nfs/dbraw/zinc/66/34/44/1379663444.db2.gz UISJYBZPRPFQDQ-WMZOPIPTSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001422149874 1379688394 /nfs/dbraw/zinc/68/83/94/1379688394.db2.gz IBTCZGIELPGSAF-GDZNZVCISA-N 1 3 339.430 2.604 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1C ZINC001422202348 1379764730 /nfs/dbraw/zinc/76/47/30/1379764730.db2.gz VWWAUKUUXCEBDO-INIZCTEOSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001422202348 1379764732 /nfs/dbraw/zinc/76/47/32/1379764732.db2.gz VWWAUKUUXCEBDO-INIZCTEOSA-N 1 3 331.504 2.535 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422204248 1379766728 /nfs/dbraw/zinc/76/67/28/1379766728.db2.gz WRUIHRCPHRZFSN-YHYXMXQVSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422204248 1379766736 /nfs/dbraw/zinc/76/67/36/1379766736.db2.gz WRUIHRCPHRZFSN-YHYXMXQVSA-N 1 3 341.927 2.784 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CNCc2ccccc2F)CC1 ZINC001422219534 1379795503 /nfs/dbraw/zinc/79/55/03/1379795503.db2.gz HILFQPUWFHFVQU-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001422262922 1379880351 /nfs/dbraw/zinc/88/03/51/1379880351.db2.gz BEEKTYIQBRARNV-MOPGFXCFSA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C(Cl)=C\Cl)CCC1 ZINC001422293551 1379903331 /nfs/dbraw/zinc/90/33/31/1379903331.db2.gz ZHMAIFIWUOYNNS-QGBLLJAOSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](O)c1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC001422576627 1380354091 /nfs/dbraw/zinc/35/40/91/1380354091.db2.gz FVGHQANMILTFGW-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC001422592503 1380390468 /nfs/dbraw/zinc/39/04/68/1380390468.db2.gz XHDFEFWWBOOASH-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2cccnc21 ZINC001422592503 1380390469 /nfs/dbraw/zinc/39/04/69/1380390469.db2.gz XHDFEFWWBOOASH-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001422677281 1380565826 /nfs/dbraw/zinc/56/58/26/1380565826.db2.gz YYVZASUGHYKISZ-WBAXXEDZSA-N 1 3 337.483 2.957 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001422745662 1380747463 /nfs/dbraw/zinc/74/74/63/1380747463.db2.gz WBHWQDRPAJTWQJ-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001422751032 1380755326 /nfs/dbraw/zinc/75/53/26/1380755326.db2.gz ANMPUKKCZCGDHC-IRXDYDNUSA-N 1 3 331.504 2.834 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001422752903 1380757906 /nfs/dbraw/zinc/75/79/06/1380757906.db2.gz FWJZTMGITBAJFY-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001422752903 1380757918 /nfs/dbraw/zinc/75/79/18/1380757918.db2.gz FWJZTMGITBAJFY-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001422752899 1380758018 /nfs/dbraw/zinc/75/80/18/1380758018.db2.gz FWJZTMGITBAJFY-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001422752899 1380758024 /nfs/dbraw/zinc/75/80/24/1380758024.db2.gz FWJZTMGITBAJFY-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001422755634 1380763579 /nfs/dbraw/zinc/76/35/79/1380763579.db2.gz OHHJXQUFSAYFLN-PXNSSMCTSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1)N(C)C ZINC001422913456 1381044138 /nfs/dbraw/zinc/04/41/38/1381044138.db2.gz YBNJHGGRCYXEJT-FUHWJXTLSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001422913456 1381044143 /nfs/dbraw/zinc/04/41/43/1381044143.db2.gz YBNJHGGRCYXEJT-FUHWJXTLSA-N 1 3 325.541 2.980 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422926943 1381071995 /nfs/dbraw/zinc/07/19/95/1381071995.db2.gz ZZQMZKKGXZBRKZ-DXWDOBMASA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422926943 1381071999 /nfs/dbraw/zinc/07/19/99/1381071999.db2.gz ZZQMZKKGXZBRKZ-DXWDOBMASA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929568 1381078523 /nfs/dbraw/zinc/07/85/23/1381078523.db2.gz WWVNRQUISRVTGV-MEMKZHQFSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929568 1381078530 /nfs/dbraw/zinc/07/85/30/1381078530.db2.gz WWVNRQUISRVTGV-MEMKZHQFSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423103279 1381355277 /nfs/dbraw/zinc/35/52/77/1381355277.db2.gz DNQOEZCXDIBKGJ-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001423108214 1381363934 /nfs/dbraw/zinc/36/39/34/1381363934.db2.gz SMLDUJDYLPPAGX-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001423151123 1381449598 /nfs/dbraw/zinc/44/95/98/1381449598.db2.gz BCKJKZTUNCCOBQ-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438656206 1388722167 /nfs/dbraw/zinc/72/21/67/1388722167.db2.gz XHPWMWXZKOSLJJ-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001423160699 1381473316 /nfs/dbraw/zinc/47/33/16/1381473316.db2.gz PYJVJDCABNCHBV-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438656198 1388722469 /nfs/dbraw/zinc/72/24/69/1388722469.db2.gz XHPWMWXZKOSLJJ-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCc1ccccc1F ZINC001423167170 1381490133 /nfs/dbraw/zinc/49/01/33/1381490133.db2.gz CHNMVLRXBRWEMX-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001423226564 1381624568 /nfs/dbraw/zinc/62/45/68/1381624568.db2.gz IIFAHMAKSVGASO-IRXDYDNUSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001423352324 1381829880 /nfs/dbraw/zinc/82/98/80/1381829880.db2.gz XOZFHNDIYSMXPN-AJKQWTFCSA-N 1 3 327.900 2.584 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001438705920 1388750927 /nfs/dbraw/zinc/75/09/27/1388750927.db2.gz LUUNGGNOPUNMLD-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001423524773 1382015193 /nfs/dbraw/zinc/01/51/93/1382015193.db2.gz OIZNJUVKNJCFSX-UHFFFAOYSA-N 1 3 349.494 2.969 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CC2)C(C)(C)C)c1 ZINC001423621786 1382181280 /nfs/dbraw/zinc/18/12/80/1382181280.db2.gz RALNXFOVDBOZCY-SFHVURJKSA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CC2)C(C)(C)C)c1 ZINC001423621783 1382181741 /nfs/dbraw/zinc/18/17/41/1382181741.db2.gz RALNXFOVDBOZCY-GOSISDBHSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001423650251 1382224431 /nfs/dbraw/zinc/22/44/31/1382224431.db2.gz ZJTKJPUILHVPCE-ICSRJNTNSA-N 1 3 349.494 2.740 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]C/C=C/c2ccccc2)C1)C1CCC1 ZINC001423688579 1382293604 /nfs/dbraw/zinc/29/36/04/1382293604.db2.gz QHNRSTGSKPGIFS-JXMROGBWSA-N 1 3 341.499 2.763 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001423688706 1382294878 /nfs/dbraw/zinc/29/48/78/1382294878.db2.gz SLOYCEVWJBXHRZ-UHFFFAOYSA-N 1 3 329.488 2.558 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)CC3CCC3)CC2)CCC1 ZINC001438766243 1388796101 /nfs/dbraw/zinc/79/61/01/1388796101.db2.gz PDBORRSLMLTBJV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)CC3CCC3)CC2)CCC1 ZINC001438766243 1388796104 /nfs/dbraw/zinc/79/61/04/1388796104.db2.gz PDBORRSLMLTBJV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c1 ZINC001424181073 1382833303 /nfs/dbraw/zinc/83/33/03/1382833303.db2.gz FDVMJLKIDXJCQY-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc2c(c1)CN(CC1CC1)C2)[NH+](C)C ZINC001424440361 1383019855 /nfs/dbraw/zinc/01/98/55/1383019855.db2.gz LQNGUDQUBLOQQM-IBGZPJMESA-N 1 3 329.488 2.615 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001424512711 1383063895 /nfs/dbraw/zinc/06/38/95/1383063895.db2.gz LICPJBAYPHEZKB-LSDHHAIUSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001424512711 1383063903 /nfs/dbraw/zinc/06/39/03/1383063903.db2.gz LICPJBAYPHEZKB-LSDHHAIUSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1F ZINC001424705442 1383278685 /nfs/dbraw/zinc/27/86/85/1383278685.db2.gz CAFMTWALIKWBHV-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CN(CCc1ccccc1F)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001424715606 1383289814 /nfs/dbraw/zinc/28/98/14/1383289814.db2.gz NVIXVJZBXISKQR-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1cccc([C@@H](C)N2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001425247667 1383562625 /nfs/dbraw/zinc/56/26/25/1383562625.db2.gz CYMRRXNAMWEHMK-IAGOWNOFSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001425263378 1383579547 /nfs/dbraw/zinc/57/95/47/1383579547.db2.gz GFDWZTHEQQABEI-CQSZACIVSA-N 1 3 346.519 2.914 20 0 EFADHO CN(CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC001438874138 1388882066 /nfs/dbraw/zinc/88/20/66/1388882066.db2.gz OKTMVKDRHDXPIY-UHFFFAOYSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438899826 1388902991 /nfs/dbraw/zinc/90/29/91/1388902991.db2.gz ZVYKNDPNOGRRJP-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001438915190 1388913421 /nfs/dbraw/zinc/91/34/21/1388913421.db2.gz FGYPHDKHWOTATF-MRXNPFEDSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001438915190 1388913425 /nfs/dbraw/zinc/91/34/25/1388913425.db2.gz FGYPHDKHWOTATF-MRXNPFEDSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)N(C)C)cc1 ZINC001426791171 1384555728 /nfs/dbraw/zinc/55/57/28/1384555728.db2.gz JLDROHCPTBKCJK-GOSISDBHSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)N(C)C)cc1 ZINC001426791171 1384555731 /nfs/dbraw/zinc/55/57/31/1384555731.db2.gz JLDROHCPTBKCJK-GOSISDBHSA-N 1 3 346.519 2.629 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)[C@@H]1CCCN1C ZINC001439077459 1388982002 /nfs/dbraw/zinc/98/20/02/1388982002.db2.gz RMWBGVZXCOORDO-GUYCJALGSA-N 1 3 339.430 2.558 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2(C[NH+](C)C)CC2)c2ccccc2)CC1 ZINC001433621357 1386937344 /nfs/dbraw/zinc/93/73/44/1386937344.db2.gz SKBUDFSGIGNJOQ-LJQANCHMSA-N 1 3 343.515 2.918 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001439177719 1389033585 /nfs/dbraw/zinc/03/35/85/1389033585.db2.gz XXRVLEUQXZJAPP-HZPDHXFCSA-N 1 3 331.504 2.672 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001439177639 1389033679 /nfs/dbraw/zinc/03/36/79/1389033679.db2.gz XLMGHWMTPHNWIK-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)CC(C)(C)C ZINC001439256594 1389077506 /nfs/dbraw/zinc/07/75/06/1389077506.db2.gz VBXAAXAIHPFMNI-KSSFIOAISA-N 1 3 349.494 2.885 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330645 1389148673 /nfs/dbraw/zinc/14/86/73/1389148673.db2.gz JWMVARUAQZAHFA-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330645 1389148682 /nfs/dbraw/zinc/14/86/82/1389148682.db2.gz JWMVARUAQZAHFA-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001439364253 1389190412 /nfs/dbraw/zinc/19/04/12/1389190412.db2.gz NCMPWPONGWSYOS-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001439395647 1389235476 /nfs/dbraw/zinc/23/54/76/1389235476.db2.gz BHDZZLPUCSTJIA-AWEZNQCLSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001439395647 1389235479 /nfs/dbraw/zinc/23/54/79/1389235479.db2.gz BHDZZLPUCSTJIA-AWEZNQCLSA-N 1 3 334.508 2.914 20 0 EFADHO C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440106390 1389388667 /nfs/dbraw/zinc/38/86/67/1389388667.db2.gz CDMQJUXMFIZFBR-OLZOCXBDSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001440287617 1389505551 /nfs/dbraw/zinc/50/55/51/1389505551.db2.gz DFRACASZGKKHAQ-RKVPGOIHSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001440291188 1389508552 /nfs/dbraw/zinc/50/85/52/1389508552.db2.gz ORYJQGVMJRHZHK-FZNQNYSPSA-N 1 3 335.517 2.525 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)c1 ZINC001440316564 1389528747 /nfs/dbraw/zinc/52/87/47/1389528747.db2.gz AGUINGDERRGQTR-UHFFFAOYSA-N 1 3 329.488 2.608 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)cc1C ZINC001440323240 1389534675 /nfs/dbraw/zinc/53/46/75/1389534675.db2.gz MIKPWYGONPHPFH-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001440322876 1389535044 /nfs/dbraw/zinc/53/50/44/1389535044.db2.gz WLCYMZRJXOEAOF-MAEOIBBWSA-N 1 3 347.478 2.686 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H](NCC=C(Cl)Cl)C2)CC1 ZINC001440328851 1389539247 /nfs/dbraw/zinc/53/92/47/1389539247.db2.gz XAQZMRXNWOAMFU-OKILXGFUSA-N 1 3 348.318 2.522 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001440380338 1389578782 /nfs/dbraw/zinc/57/87/82/1389578782.db2.gz BBHZSJYEJWIADR-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001440380338 1389578784 /nfs/dbraw/zinc/57/87/84/1389578784.db2.gz BBHZSJYEJWIADR-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(F)c2)CC1 ZINC001440392751 1389588456 /nfs/dbraw/zinc/58/84/56/1389588456.db2.gz AKKCFPNUFAEYNL-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2)CC1 ZINC001440392751 1389588460 /nfs/dbraw/zinc/58/84/60/1389588460.db2.gz AKKCFPNUFAEYNL-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001440665487 1389807187 /nfs/dbraw/zinc/80/71/87/1389807187.db2.gz XVIREYJHRIDRMA-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440707494 1389830649 /nfs/dbraw/zinc/83/06/49/1389830649.db2.gz RNAORDSTNVEEAO-LWAXHKBTSA-N 1 3 341.927 2.641 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440707494 1389830652 /nfs/dbraw/zinc/83/06/52/1389830652.db2.gz RNAORDSTNVEEAO-LWAXHKBTSA-N 1 3 341.927 2.641 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@@H](C)CC(C)C)N(C)C ZINC001440717302 1389833516 /nfs/dbraw/zinc/83/35/16/1389833516.db2.gz YUOJUGDZJWGNDD-BZSNNMDCSA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCc2cccs2)CCC1 ZINC001440736388 1389857785 /nfs/dbraw/zinc/85/77/85/1389857785.db2.gz SPAQSFQVEUYACD-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCc2cccs2)CCC1 ZINC001440736388 1389857791 /nfs/dbraw/zinc/85/77/91/1389857791.db2.gz SPAQSFQVEUYACD-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2cnccc2C)CC1 ZINC001440857068 1389958635 /nfs/dbraw/zinc/95/86/35/1389958635.db2.gz IMISFXBYUCKUHW-UHFFFAOYSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001440944306 1390030895 /nfs/dbraw/zinc/03/08/95/1390030895.db2.gz ZNIBCLPGTSRVNX-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001440944306 1390030902 /nfs/dbraw/zinc/03/09/02/1390030902.db2.gz ZNIBCLPGTSRVNX-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001440965146 1390055984 /nfs/dbraw/zinc/05/59/84/1390055984.db2.gz XBESWWLHHWPIAD-AUUYWEPGSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001440990782 1391009398 /nfs/dbraw/zinc/00/93/98/1391009398.db2.gz IRJAVQVYJFRDFU-CRAIPNDOSA-N 1 3 332.492 2.892 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CCC1 ZINC001441197554 1391175386 /nfs/dbraw/zinc/17/53/86/1391175386.db2.gz IIPTXFDOCJVJCA-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001441281547 1391230175 /nfs/dbraw/zinc/23/01/75/1391230175.db2.gz DTRHNILRPXYTCD-KRWDZBQOSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001441281547 1391230179 /nfs/dbraw/zinc/23/01/79/1391230179.db2.gz DTRHNILRPXYTCD-KRWDZBQOSA-N 1 3 349.494 2.838 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001441383316 1391274682 /nfs/dbraw/zinc/27/46/82/1391274682.db2.gz HSFHSZLJKOIAMQ-LNLFQRSKSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001441384477 1391275550 /nfs/dbraw/zinc/27/55/50/1391275550.db2.gz KEWCDKBBDZDZRO-JQFCIGGWSA-N 1 3 333.451 2.608 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001441583217 1391375133 /nfs/dbraw/zinc/37/51/33/1391375133.db2.gz KOTRNBILWIOWSU-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001441583217 1391375136 /nfs/dbraw/zinc/37/51/36/1391375136.db2.gz KOTRNBILWIOWSU-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444318041 1391471174 /nfs/dbraw/zinc/47/11/74/1391471174.db2.gz GSTJJCVHCAAANG-DOTOQJQBSA-N 1 3 331.504 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccc1F ZINC001444820631 1391510654 /nfs/dbraw/zinc/51/06/54/1391510654.db2.gz DKVPARNPLBDUCY-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccc1F ZINC001444820631 1391510655 /nfs/dbraw/zinc/51/06/55/1391510655.db2.gz DKVPARNPLBDUCY-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CC[N@H+](C)Cc1ccccc1C1CC1)C(=O)CN(C)C1CCC1 ZINC001444995203 1391516867 /nfs/dbraw/zinc/51/68/67/1391516867.db2.gz RKFGKPPPZXXQBD-UHFFFAOYSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)CN(C)C1CCC1 ZINC001444995203 1391516870 /nfs/dbraw/zinc/51/68/70/1391516870.db2.gz RKFGKPPPZXXQBD-UHFFFAOYSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001444995530 1391517008 /nfs/dbraw/zinc/51/70/08/1391517008.db2.gz WLDYIKALJHPKCW-IBGZPJMESA-N 1 3 333.520 2.780 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001445387581 1391527400 /nfs/dbraw/zinc/52/74/00/1391527400.db2.gz FKZXQIFOVXKSGD-MRXNPFEDSA-N 1 3 331.504 2.889 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506961393 1406508606 /nfs/dbraw/zinc/50/86/06/1406508606.db2.gz QHZXHUNLHWULCZ-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001447359394 1391710992 /nfs/dbraw/zinc/71/09/92/1391710992.db2.gz QFNSRYXFZVHNOE-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001447359394 1391711004 /nfs/dbraw/zinc/71/10/04/1391711004.db2.gz QFNSRYXFZVHNOE-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001448126329 1391978165 /nfs/dbraw/zinc/97/81/65/1391978165.db2.gz YWPXYYBAMAFHPX-LBPRGKRZSA-N 1 3 342.434 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001448126329 1391978169 /nfs/dbraw/zinc/97/81/69/1391978169.db2.gz YWPXYYBAMAFHPX-LBPRGKRZSA-N 1 3 342.434 2.523 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001448675557 1392162544 /nfs/dbraw/zinc/16/25/44/1392162544.db2.gz HINNNXBOOFDHLA-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001448675736 1392163225 /nfs/dbraw/zinc/16/32/25/1392163225.db2.gz HUANCLIQZIQJSU-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001448675576 1392163761 /nfs/dbraw/zinc/16/37/61/1392163761.db2.gz HINNNXBOOFDHLA-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CN(C)CC(C)(C)C ZINC001449028671 1392218725 /nfs/dbraw/zinc/21/87/25/1392218725.db2.gz NXZVEVMFOQSBRF-HIFRSBDPSA-N 1 3 345.478 2.589 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001449065782 1392247676 /nfs/dbraw/zinc/24/76/76/1392247676.db2.gz YGQJUEHBSIWRNO-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001456545410 1394711839 /nfs/dbraw/zinc/71/18/39/1394711839.db2.gz CADSXGXIFLGAPM-AZUAARDMSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001456545410 1394711848 /nfs/dbraw/zinc/71/18/48/1394711848.db2.gz CADSXGXIFLGAPM-AZUAARDMSA-N 1 3 343.515 2.982 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cs1 ZINC001507126088 1406737738 /nfs/dbraw/zinc/73/77/38/1406737738.db2.gz LLWWQLDFSOUKGW-AWEZNQCLSA-N 1 3 339.549 2.971 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001507151871 1406775591 /nfs/dbraw/zinc/77/55/91/1406775591.db2.gz KQCOLEKPFZRKMG-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CNC(=O)CCCN(C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001459772409 1395982614 /nfs/dbraw/zinc/98/26/14/1395982614.db2.gz DEYPOXHAKYSXGN-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460624239 1396238741 /nfs/dbraw/zinc/23/87/41/1396238741.db2.gz ACGYSBMMICOABJ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100345 1396289134 /nfs/dbraw/zinc/28/91/34/1396289134.db2.gz HQMGRYNEXFTPTM-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100345 1396289139 /nfs/dbraw/zinc/28/91/39/1396289139.db2.gz HQMGRYNEXFTPTM-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC001462473744 1396437429 /nfs/dbraw/zinc/43/74/29/1396437429.db2.gz AUSKMQGJKURYAJ-NUVZVAJJSA-N 1 3 336.520 2.957 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC001462513608 1396439371 /nfs/dbraw/zinc/43/93/71/1396439371.db2.gz IUUSLQGBVJAEEL-ADEKHHIBSA-N 1 3 336.520 2.815 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001464580926 1396587928 /nfs/dbraw/zinc/58/79/28/1396587928.db2.gz SROHBOBSSJDSRE-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO COc1cccc(CN(CC[NH+](C)C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001466882220 1396794209 /nfs/dbraw/zinc/79/42/09/1396794209.db2.gz ZWHXLLJWAGCLHO-UHFFFAOYSA-N 1 3 349.519 2.563 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507288820 1406852814 /nfs/dbraw/zinc/85/28/14/1406852814.db2.gz HAPCRXZVGDZHKB-PBHICJAKSA-N 1 3 349.906 2.761 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC001467717281 1396887799 /nfs/dbraw/zinc/88/77/99/1396887799.db2.gz PSRWOSMFEHENFO-UHFFFAOYSA-N 1 3 326.529 2.621 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001507292981 1406857374 /nfs/dbraw/zinc/85/73/74/1406857374.db2.gz NCJNMYBEIAVMFR-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1[C@H](NCc2cc3ccccc3o2)CCN1C(=O)CCC[NH+](C)C ZINC001507291581 1406856778 /nfs/dbraw/zinc/85/67/78/1406856778.db2.gz WVALOCHYGMLTIR-CRAIPNDOSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@@H](CCN(C)C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001473968168 1397357765 /nfs/dbraw/zinc/35/77/65/1397357765.db2.gz MHIQWCQJQYLBHG-NSHDSACASA-N 1 3 325.254 2.527 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472141 1397535684 /nfs/dbraw/zinc/53/56/84/1397535684.db2.gz PTILIWATTHKBAX-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472141 1397535685 /nfs/dbraw/zinc/53/56/85/1397535685.db2.gz PTILIWATTHKBAX-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CN(C[C@H]1CCN1CC1CCC(F)(F)CC1)C(=O)CCC[NH+](C)C ZINC001479239903 1397633384 /nfs/dbraw/zinc/63/33/84/1397633384.db2.gz AALDOYPKINPWRK-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001479400801 1397714867 /nfs/dbraw/zinc/71/48/67/1397714867.db2.gz XRLNYDKLKWJGCN-IHPCNDPISA-N 1 3 343.515 2.936 20 0 EFADHO C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480086238 1398123906 /nfs/dbraw/zinc/12/39/06/1398123906.db2.gz WVZDZAUJPOBRJF-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480086238 1398123910 /nfs/dbraw/zinc/12/39/10/1398123910.db2.gz WVZDZAUJPOBRJF-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)CC(C)(C)C ZINC001480158714 1398132700 /nfs/dbraw/zinc/13/27/00/1398132700.db2.gz YFJIVTMIYKMZHP-AZNMXJPWSA-N 1 3 343.515 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC001480168713 1398138821 /nfs/dbraw/zinc/13/88/21/1398138821.db2.gz VYMQOJXIXMKDQF-JQFCIGGWSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1F ZINC001480174410 1398142793 /nfs/dbraw/zinc/14/27/93/1398142793.db2.gz VQEJLELVWVTKLF-BRWVUGGUSA-N 1 3 347.478 3.000 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1F ZINC001480174411 1398143264 /nfs/dbraw/zinc/14/32/64/1398143264.db2.gz VQEJLELVWVTKLF-ULQDDVLXSA-N 1 3 347.478 3.000 20 0 EFADHO COc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001480536397 1398197347 /nfs/dbraw/zinc/19/73/47/1398197347.db2.gz GWMZVRJODMXENX-INIZCTEOSA-N 1 3 349.519 2.576 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)c1ccccc1F ZINC001480597843 1398238037 /nfs/dbraw/zinc/23/80/37/1398238037.db2.gz VJJXXQMURNFHBR-CVEARBPZSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480675284 1398277038 /nfs/dbraw/zinc/27/70/38/1398277038.db2.gz FRQUGNWVWNNYMK-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001480711956 1398303914 /nfs/dbraw/zinc/30/39/14/1398303914.db2.gz PRJGKGDIVXINQD-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(CF)cc1 ZINC001493061948 1398405584 /nfs/dbraw/zinc/40/55/84/1398405584.db2.gz JQMFDKOKYLKKIE-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(CF)cc1 ZINC001493061948 1398405590 /nfs/dbraw/zinc/40/55/90/1398405590.db2.gz JQMFDKOKYLKKIE-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493266486 1398574314 /nfs/dbraw/zinc/57/43/14/1398574314.db2.gz GGSAOMKUEGAKTP-SFHVURJKSA-N 1 3 347.478 2.640 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1csc(C)c1 ZINC001493290487 1398589650 /nfs/dbraw/zinc/58/96/50/1398589650.db2.gz INWFHGURVHRZNL-NVXWUHKLSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1csc(C)c1 ZINC001493290487 1398589655 /nfs/dbraw/zinc/58/96/55/1398589655.db2.gz INWFHGURVHRZNL-NVXWUHKLSA-N 1 3 337.533 2.725 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001493696612 1398814237 /nfs/dbraw/zinc/81/42/37/1398814237.db2.gz XMHISYPUGCNATF-OAHLLOKOSA-N 1 3 337.483 2.913 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001493696277 1398815045 /nfs/dbraw/zinc/81/50/45/1398815045.db2.gz RWBQFGFBQOKFLU-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001493696277 1398815051 /nfs/dbraw/zinc/81/50/51/1398815051.db2.gz RWBQFGFBQOKFLU-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001493806016 1398895466 /nfs/dbraw/zinc/89/54/66/1398895466.db2.gz DGQTXRZCAZEEIW-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)c1 ZINC001494020164 1399066279 /nfs/dbraw/zinc/06/62/79/1399066279.db2.gz HMFINULJIYFTMJ-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)CN(C)C3CCC3)C2)c1 ZINC001494020164 1399066281 /nfs/dbraw/zinc/06/62/81/1399066281.db2.gz HMFINULJIYFTMJ-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001507398311 1407010007 /nfs/dbraw/zinc/01/00/07/1407010007.db2.gz IYLAIHPQSXYJLD-RDJZCZTQSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CCCC(C)(C)C)C1 ZINC001494173850 1399187039 /nfs/dbraw/zinc/18/70/39/1399187039.db2.gz XZVHQCRGDCWLES-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1 ZINC001494173850 1399187041 /nfs/dbraw/zinc/18/70/41/1399187041.db2.gz XZVHQCRGDCWLES-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)CCC1 ZINC001494558320 1399377819 /nfs/dbraw/zinc/37/78/19/1399377819.db2.gz CXIRHDSLFNPXAM-UHFFFAOYSA-N 1 3 341.499 2.596 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccnc1C ZINC001494981301 1399587555 /nfs/dbraw/zinc/58/75/55/1399587555.db2.gz NJSFNIBTTCCBOG-GOSISDBHSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001495602108 1400110115 /nfs/dbraw/zinc/11/01/15/1400110115.db2.gz BCJQZIQGOGWAJO-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001495602108 1400110119 /nfs/dbraw/zinc/11/01/19/1400110119.db2.gz BCJQZIQGOGWAJO-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(Cl)s1 ZINC001495685858 1400166254 /nfs/dbraw/zinc/16/62/54/1400166254.db2.gz XCBRBCUAQUVKJQ-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001496192081 1400530476 /nfs/dbraw/zinc/53/04/76/1400530476.db2.gz AOPYNOSQTNJBSV-GOSISDBHSA-N 1 3 331.504 2.663 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)CCC2CC2)CC1)C1CCC1 ZINC001496504833 1400780970 /nfs/dbraw/zinc/78/09/70/1400780970.db2.gz KOPJTXFIDYSLIP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CCC2CC2)CC1)C1CCC1 ZINC001496504833 1400780975 /nfs/dbraw/zinc/78/09/75/1400780975.db2.gz KOPJTXFIDYSLIP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CCN(C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496836384 1401024624 /nfs/dbraw/zinc/02/46/24/1401024624.db2.gz RHQIZVYLWSZDAI-APWZRJJASA-N 1 3 347.478 2.545 20 0 EFADHO CN(CCN(C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496836384 1401024628 /nfs/dbraw/zinc/02/46/28/1401024628.db2.gz RHQIZVYLWSZDAI-APWZRJJASA-N 1 3 347.478 2.545 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001496888817 1401078863 /nfs/dbraw/zinc/07/88/63/1401078863.db2.gz QHXOMWWLURADOK-ICSRJNTNSA-N 1 3 343.515 2.854 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2CNC/C(Cl)=C/Cl)CC1 ZINC001496903850 1401090938 /nfs/dbraw/zinc/09/09/38/1401090938.db2.gz JPXPSJUATLVTRL-DOOVCASASA-N 1 3 348.318 2.522 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001497204817 1401217681 /nfs/dbraw/zinc/21/76/81/1401217681.db2.gz GLBKETVOSINBRC-KUHUBIRLSA-N 1 3 347.478 2.782 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001497969260 1401782103 /nfs/dbraw/zinc/78/21/03/1401782103.db2.gz NVROHGUDHWVGAF-MRXNPFEDSA-N 1 3 327.472 2.776 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001498052908 1401833028 /nfs/dbraw/zinc/83/30/28/1401833028.db2.gz ASEWVBRINKNTHL-QWHCGFSZSA-N 1 3 339.430 2.604 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001498118307 1401864446 /nfs/dbraw/zinc/86/44/46/1401864446.db2.gz QWQDROXORPAZJS-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001498118675 1401864563 /nfs/dbraw/zinc/86/45/63/1401864563.db2.gz VYXOZXRSRMHPPM-AWEZNQCLSA-N 1 3 339.911 2.912 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001498771602 1402279060 /nfs/dbraw/zinc/27/90/60/1402279060.db2.gz WNKZCLQJTUWXJS-IFXJQAMLSA-N 1 3 347.478 2.855 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2Cl)C2CC2)CCC1 ZINC001498771531 1402279221 /nfs/dbraw/zinc/27/92/21/1402279221.db2.gz WADMWKHONHIWAR-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001499048281 1402443570 /nfs/dbraw/zinc/44/35/70/1402443570.db2.gz OKXLSFYDKLZBHQ-MJGOQNOKSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001499226519 1402528511 /nfs/dbraw/zinc/52/85/11/1402528511.db2.gz QZOOCKVFARWXEQ-IBGZPJMESA-N 1 3 343.515 2.915 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC001499427159 1402609205 /nfs/dbraw/zinc/60/92/05/1402609205.db2.gz XIHVLZABWRGSBM-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001499522996 1402659512 /nfs/dbraw/zinc/65/95/12/1402659512.db2.gz IMUSVPBWGCXJAI-SFHVURJKSA-N 1 3 341.515 2.971 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001499522996 1402659513 /nfs/dbraw/zinc/65/95/13/1402659513.db2.gz IMUSVPBWGCXJAI-SFHVURJKSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C/Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001499842626 1402810744 /nfs/dbraw/zinc/81/07/44/1402810744.db2.gz ADYYRYPYCUAGFA-QPMGALROSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001499853438 1402821368 /nfs/dbraw/zinc/82/13/68/1402821368.db2.gz NCCLCCPWEQVLRE-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001499997381 1402889396 /nfs/dbraw/zinc/88/93/96/1402889396.db2.gz DGSZCGUPUULFMJ-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001500377848 1403084077 /nfs/dbraw/zinc/08/40/77/1403084077.db2.gz CBHWCESVGVKWTF-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001500380038 1403085128 /nfs/dbraw/zinc/08/51/28/1403085128.db2.gz IZTUTICRBFKHSF-FQEVSTJZSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001500380073 1403085525 /nfs/dbraw/zinc/08/55/25/1403085525.db2.gz JOUFACMLOIHCMY-KXBFYZLASA-N 1 3 326.444 2.542 20 0 EFADHO CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001501081200 1403432932 /nfs/dbraw/zinc/43/29/32/1403432932.db2.gz ZJGRDKLURGTEJB-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001501621387 1403649582 /nfs/dbraw/zinc/64/95/82/1403649582.db2.gz BJOAWLVLQYKHRT-LSDHHAIUSA-N 1 3 344.434 2.681 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001501638222 1403660242 /nfs/dbraw/zinc/66/02/42/1403660242.db2.gz UEMBRHUAALGDBE-IEJDHCNXSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001501638224 1403660280 /nfs/dbraw/zinc/66/02/80/1403660280.db2.gz UEMBRHUAALGDBE-RHYMJRRZSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C)CCC1 ZINC001501960011 1403906116 /nfs/dbraw/zinc/90/61/16/1403906116.db2.gz FLXUASLILRDVDQ-LJQANCHMSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)c(C)c1 ZINC001501962124 1403908323 /nfs/dbraw/zinc/90/83/23/1403908323.db2.gz RNSXJINLNHMIGG-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001502339348 1404081140 /nfs/dbraw/zinc/08/11/40/1404081140.db2.gz CXNGPWCJUOLVLV-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001502339348 1404081145 /nfs/dbraw/zinc/08/11/45/1404081145.db2.gz CXNGPWCJUOLVLV-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC(CC)CC)CC1(C)C ZINC001502835729 1404391292 /nfs/dbraw/zinc/39/12/92/1404391292.db2.gz AKJLKQDBVGVWPZ-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC(CC)CC)CC1(C)C ZINC001502835729 1404391300 /nfs/dbraw/zinc/39/13/00/1404391300.db2.gz AKJLKQDBVGVWPZ-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001502936446 1404438673 /nfs/dbraw/zinc/43/86/73/1404438673.db2.gz YLOSPTQSBRYWKI-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001502936446 1404438678 /nfs/dbraw/zinc/43/86/78/1404438678.db2.gz YLOSPTQSBRYWKI-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001503690536 1404499507 /nfs/dbraw/zinc/49/95/07/1404499507.db2.gz GYQHGSSHJGZTQV-HXUWFJFHSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C/C=C/c1ccccc1 ZINC001505452294 1404656899 /nfs/dbraw/zinc/65/68/99/1404656899.db2.gz FLUPQLRBJSXFAD-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C/C=C/c1ccccc1 ZINC001505452294 1404656907 /nfs/dbraw/zinc/65/69/07/1404656907.db2.gz FLUPQLRBJSXFAD-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1C ZINC001505459479 1404675992 /nfs/dbraw/zinc/67/59/92/1404675992.db2.gz QZHZJXVLLSAUCO-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1C ZINC001505459479 1404676005 /nfs/dbraw/zinc/67/60/05/1404676005.db2.gz QZHZJXVLLSAUCO-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935994 1405247765 /nfs/dbraw/zinc/24/77/65/1405247765.db2.gz SHOBVJGTDHNAMP-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935994 1405247768 /nfs/dbraw/zinc/24/77/68/1405247768.db2.gz SHOBVJGTDHNAMP-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001506063544 1405422325 /nfs/dbraw/zinc/42/23/25/1405422325.db2.gz SQBDBWGDBVYHGK-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001506627326 1406063351 /nfs/dbraw/zinc/06/33/51/1406063351.db2.gz PRRASENZRQPAQK-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001506628698 1406064195 /nfs/dbraw/zinc/06/41/95/1406064195.db2.gz XBILDQGBVYTEBZ-HZPDHXFCSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001506628699 1406064467 /nfs/dbraw/zinc/06/44/67/1406064467.db2.gz XBILDQGBVYTEBZ-JKSUJKDBSA-N 1 3 329.488 2.668 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1Cn1cc(CN[C@H]2CCCC23CCCCC3)nn1 ZINC001550906727 1413796970 /nfs/dbraw/zinc/79/69/70/1413796970.db2.gz QOAZAKVWBYDQEE-JQHSSLGASA-N 1 3 331.508 2.998 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C12CCC2 ZINC001551238431 1413969955 /nfs/dbraw/zinc/96/99/55/1413969955.db2.gz SMAZVQPSOIPBSM-YBXZHIRMSA-N 1 3 336.520 2.957 20 0 EFADHO COc1cncc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1C ZINC001551238731 1413971332 /nfs/dbraw/zinc/97/13/32/1413971332.db2.gz YHYYQIXHRCCTJV-UHFFFAOYSA-N 1 3 333.476 2.522 20 0 EFADHO Cn1ccc(-c2nc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)cs2)n1 ZINC001551257997 1413980312 /nfs/dbraw/zinc/98/03/12/1413980312.db2.gz BPJFZOAWPZAOGQ-OFQRWUPVSA-N 1 3 345.516 2.706 20 0 EFADHO Cc1ccc2oc(=O)n(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c2c1 ZINC001551380677 1414049130 /nfs/dbraw/zinc/04/91/30/1414049130.db2.gz DWFXOGJVQCSKCK-HRCADAONSA-N 1 3 329.444 2.523 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3ccc(-c4ccc(F)cn4)n3)C[C@@H]2C1 ZINC001551382901 1414052391 /nfs/dbraw/zinc/05/23/91/1414052391.db2.gz YJHMJOSMYZGLMR-HLLBOEOZSA-N 1 3 343.450 2.704 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COC[C@H]2c2ccccc2)CC1 ZINC001551398437 1414061416 /nfs/dbraw/zinc/06/14/16/1414061416.db2.gz DLUHVABSNRHTKD-OMYXNUHHSA-N 1 3 344.499 2.792 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COC[C@H]2c2ccccc2)CC1 ZINC001551398438 1414061776 /nfs/dbraw/zinc/06/17/76/1414061776.db2.gz DLUHVABSNRHTKD-RKDVLTNBSA-N 1 3 344.499 2.792 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnc(Cl)n1C ZINC001551399300 1414062549 /nfs/dbraw/zinc/06/25/49/1414062549.db2.gz LBMHZBINVKRFMF-TUBUQKNSSA-N 1 3 340.899 2.758 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@]2(O)CC3CCC2CC3)CC1 ZINC001551464588 1414085487 /nfs/dbraw/zinc/08/54/87/1414085487.db2.gz FEUGLGCMVILHRA-ZWQJFZRQSA-N 1 3 336.520 2.551 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC001552158718 1414357438 /nfs/dbraw/zinc/35/74/38/1414357438.db2.gz KYRYLOCQMJMMKH-SQNIBIBYSA-N 1 3 349.906 2.695 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552228962 1414380618 /nfs/dbraw/zinc/38/06/18/1414380618.db2.gz WUNKWNCQLRXEAE-RBUKOAKNSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@H]3C[C@H](Oc4ccccc4)C3(C)C)c2C1 ZINC001552256393 1414395037 /nfs/dbraw/zinc/39/50/37/1414395037.db2.gz KUPDYBNOBNCWDU-OALUTQOASA-N 1 3 340.471 2.664 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)[C@H]1c1ccccc1 ZINC001552300399 1414413934 /nfs/dbraw/zinc/41/39/34/1414413934.db2.gz CUPAOUIBAITFFW-HSALFYBXSA-N 1 3 341.499 2.813 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)[C@H]1c1ccccc1 ZINC001552300399 1414413938 /nfs/dbraw/zinc/41/39/38/1414413938.db2.gz CUPAOUIBAITFFW-HSALFYBXSA-N 1 3 341.499 2.813 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)[C@H]1c1ccccc1 ZINC001552302664 1414415034 /nfs/dbraw/zinc/41/50/34/1414415034.db2.gz VCVZYHBXUBHQQE-FGTMMUONSA-N 1 3 329.488 2.668 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)[C@H]1c1ccccc1 ZINC001552302664 1414415036 /nfs/dbraw/zinc/41/50/36/1414415036.db2.gz VCVZYHBXUBHQQE-FGTMMUONSA-N 1 3 329.488 2.668 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)[C@H]2C1 ZINC001552332453 1414428448 /nfs/dbraw/zinc/42/84/48/1414428448.db2.gz QQSNWLRZYPEQLA-UXPWSPDFSA-N 1 3 341.499 2.662 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)[C@H]2C1 ZINC001552332453 1414428451 /nfs/dbraw/zinc/42/84/51/1414428451.db2.gz QQSNWLRZYPEQLA-UXPWSPDFSA-N 1 3 341.499 2.662 20 0 EFADHO Cn1ccnc1[C@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552377856 1414443609 /nfs/dbraw/zinc/44/36/09/1414443609.db2.gz FIEWORVTNBQGJX-APWZRJJASA-N 1 3 346.519 2.884 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC001552377709 1414443943 /nfs/dbraw/zinc/44/39/43/1414443943.db2.gz DLACYVKDFJNFKK-OXQOHEQNSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552377862 1414444146 /nfs/dbraw/zinc/44/41/46/1414444146.db2.gz FIEWORVTNBQGJX-VQIMIIECSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552377209 1414444213 /nfs/dbraw/zinc/44/42/13/1414444213.db2.gz ZIARHGANHBDARI-QAPCUYQASA-N 1 3 334.508 2.740 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC001552523992 1414477735 /nfs/dbraw/zinc/47/77/35/1414477735.db2.gz ISQXFJDCILGTSU-MISYRCLQSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC001552525274 1414478531 /nfs/dbraw/zinc/47/85/31/1414478531.db2.gz LTBOXMWZXHERRJ-QWFCFKBJSA-N 1 3 346.519 2.788 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552831580 1414577937 /nfs/dbraw/zinc/57/79/37/1414577937.db2.gz SOBUBRRHUKJAMA-FPOVZHCZSA-N 1 3 341.499 2.562 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001552833086 1414578562 /nfs/dbraw/zinc/57/85/62/1414578562.db2.gz JWTHEJDWFLFKLQ-IPMKNSEASA-N 1 3 346.519 2.788 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552833086 1414578563 /nfs/dbraw/zinc/57/85/63/1414578563.db2.gz JWTHEJDWFLFKLQ-IPMKNSEASA-N 1 3 346.519 2.788 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552833086 1414578565 /nfs/dbraw/zinc/57/85/65/1414578565.db2.gz JWTHEJDWFLFKLQ-IPMKNSEASA-N 1 3 346.519 2.788 20 0 EFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC001553022047 1414647345 /nfs/dbraw/zinc/64/73/45/1414647345.db2.gz HRYNLRNUOUFOPL-OKZBNKHCSA-N 1 3 335.536 2.780 20 0 EFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553022049 1414647643 /nfs/dbraw/zinc/64/76/43/1414647643.db2.gz HRYNLRNUOUFOPL-RCCFBDPRSA-N 1 3 335.536 2.780 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@]34CC[NH2+][C@H]3CCCC4)n2)cc1 ZINC001553250927 1414751558 /nfs/dbraw/zinc/75/15/58/1414751558.db2.gz MHWXXUPECOIBAC-LPHOPBHVSA-N 1 3 326.444 2.972 20 0 EFADHO C[C@@H](NC(=O)NC1(C2CC[NH2+]CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC001553480766 1414833991 /nfs/dbraw/zinc/83/39/91/1414833991.db2.gz IMKKXEISVGSSHT-CRAIPNDOSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)[C@@H](c1ccccc1)N(C)C ZINC001553481454 1414834272 /nfs/dbraw/zinc/83/42/72/1414834272.db2.gz KCRVUCDFEXHOPV-QRFRQXIXSA-N 1 3 344.503 2.605 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001567146891 1415952431 /nfs/dbraw/zinc/95/24/31/1415952431.db2.gz FCNDWTOBFFPFMA-AZUAARDMSA-N 1 3 345.531 2.706 20 0 EFADHO O=C(c1ccc2c(c1)C[NH2+]CC2)N1CCN(CC2CCCCC2)CC1 ZINC001645864865 1416577180 /nfs/dbraw/zinc/57/71/80/1416577180.db2.gz XJMDTYNNCKHTNJ-UHFFFAOYSA-N 1 3 341.499 2.670 20 0 EFADHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001699852554 1417479249 /nfs/dbraw/zinc/47/92/49/1417479249.db2.gz CPWXQYFQOIAMHU-UYAOXDASSA-N 1 3 349.494 2.537 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000151586088 1418245378 /nfs/dbraw/zinc/24/53/78/1418245378.db2.gz JGYOPMOJBUPRHT-UWJYYQICSA-N 1 3 327.516 2.971 20 0 EFADHO CC[NH+](CC)C1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC001771671366 1423752051 /nfs/dbraw/zinc/75/20/51/1423752051.db2.gz JKNBRSXBCJWBBR-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](N[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001020512386 713094674 /nfs/dbraw/zinc/09/46/74/713094674.db2.gz ZEBJRALHTHGCHO-QEOTZNIISA-N 1 3 347.478 2.854 20 0 EFADHO C[C@@H](N[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001020512386 713094677 /nfs/dbraw/zinc/09/46/77/713094677.db2.gz ZEBJRALHTHGCHO-QEOTZNIISA-N 1 3 347.478 2.854 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc2c(c1)CCC2 ZINC000969595041 713183015 /nfs/dbraw/zinc/18/30/15/713183015.db2.gz MJXXPBNLKMPGAN-CDHQVMDDSA-N 1 3 341.499 2.521 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969653269 713205582 /nfs/dbraw/zinc/20/55/82/713205582.db2.gz IWDLEIKYAJZQLA-LPHOPBHVSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969653271 713205669 /nfs/dbraw/zinc/20/56/69/713205669.db2.gz IWDLEIKYAJZQLA-VQIMIIECSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969654448 713206054 /nfs/dbraw/zinc/20/60/54/713206054.db2.gz QIAHBOSABJUHMG-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC001020586051 713265489 /nfs/dbraw/zinc/26/54/89/713265489.db2.gz CRXDLKAOXCIPKD-LTCOOKNTSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001020586079 713265514 /nfs/dbraw/zinc/26/55/14/713265514.db2.gz DVMFOGHGLNSRCR-DJIMGWMZSA-N 1 3 341.455 2.654 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC001020586014 713265542 /nfs/dbraw/zinc/26/55/42/713265542.db2.gz CEXIKQGQVVEYSQ-VGWMRTNUSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001020586263 713265867 /nfs/dbraw/zinc/26/58/67/713265867.db2.gz JIZLUPVURLOXBK-WDSOQIARSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001020587594 713266641 /nfs/dbraw/zinc/26/66/41/713266641.db2.gz MQOJYFWKFYROAL-XMDUPGNXSA-N 1 3 345.462 2.534 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001020587688 713266676 /nfs/dbraw/zinc/26/66/76/713266676.db2.gz QRALHHAKQUGUDX-NBMJBFSESA-N 1 3 329.488 2.777 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001020587687 713266690 /nfs/dbraw/zinc/26/66/90/713266690.db2.gz QRALHHAKQUGUDX-CAMMJAKZSA-N 1 3 329.488 2.777 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001020588436 713266875 /nfs/dbraw/zinc/26/68/75/713266875.db2.gz ASJACVAIYLJVHO-VDGAXYAQSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020589143 713267218 /nfs/dbraw/zinc/26/72/18/713267218.db2.gz XUQMTMGAPVPGOG-KKXDTOCCSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001020586612 713267626 /nfs/dbraw/zinc/26/76/26/713267626.db2.gz TTYDPGGDNGLMEH-WDSOQIARSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000969811290 713269737 /nfs/dbraw/zinc/26/97/37/713269737.db2.gz NGXSYISTPBMXHJ-GOEBONIOSA-N 1 3 349.906 2.933 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c(C)s1 ZINC001020591239 713269921 /nfs/dbraw/zinc/26/99/21/713269921.db2.gz IGMTWYILRPFWKK-QAQDUYKDSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001020591896 713270048 /nfs/dbraw/zinc/27/00/48/713270048.db2.gz WESKPGKOOYBDDI-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832591 713277012 /nfs/dbraw/zinc/27/70/12/713277012.db2.gz HYZUOJLJSKUOLT-MJGOQNOKSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832591 713277013 /nfs/dbraw/zinc/27/70/13/713277013.db2.gz HYZUOJLJSKUOLT-MJGOQNOKSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC000969845486 713280372 /nfs/dbraw/zinc/28/03/72/713280372.db2.gz DMGXFNOXKKRTTE-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC000969844363 713280951 /nfs/dbraw/zinc/28/09/51/713280951.db2.gz JBGSGLGRYVIWBB-CEXWTWQISA-N 1 3 331.504 2.914 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000969947095 713320020 /nfs/dbraw/zinc/32/00/20/713320020.db2.gz AEBQFMBETLHGJM-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(Cl)c1 ZINC000969949641 713320293 /nfs/dbraw/zinc/32/02/93/713320293.db2.gz WOIRJQGFLVPTHX-DOTOQJQBSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(Cl)c1 ZINC000969949641 713320294 /nfs/dbraw/zinc/32/02/94/713320294.db2.gz WOIRJQGFLVPTHX-DOTOQJQBSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000969949636 713320339 /nfs/dbraw/zinc/32/03/39/713320339.db2.gz WMQDADGGEWORAG-QWHCGFSZSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000969949563 713320393 /nfs/dbraw/zinc/32/03/93/713320393.db2.gz VAKWUYWIPWFFMJ-NVXWUHKLSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c(C)s1 ZINC000969955572 713321549 /nfs/dbraw/zinc/32/15/49/713321549.db2.gz PLUSLABEZFOEEB-QGZVFWFLSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969951795 713322062 /nfs/dbraw/zinc/32/20/62/713322062.db2.gz RALONTQBXFIVLT-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000969951801 713322193 /nfs/dbraw/zinc/32/21/93/713322193.db2.gz RDILCNGOKIJWEI-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969956126 713323879 /nfs/dbraw/zinc/32/38/79/713323879.db2.gz WDWQJXHLRNIPPV-GDBMZVCRSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000969956126 713323881 /nfs/dbraw/zinc/32/38/81/713323881.db2.gz WDWQJXHLRNIPPV-GDBMZVCRSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1F ZINC000969968669 713326521 /nfs/dbraw/zinc/32/65/21/713326521.db2.gz VCYXIIGYBBUSOI-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC000969985953 713334709 /nfs/dbraw/zinc/33/47/09/713334709.db2.gz PEOUWTWXXXCCKH-NSHGMRRFSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC000969986349 713334905 /nfs/dbraw/zinc/33/49/05/713334905.db2.gz YLLXPNOJHNWUMZ-SCTDSRPQSA-N 1 3 331.504 2.895 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC000969991045 713336537 /nfs/dbraw/zinc/33/65/37/713336537.db2.gz DEBISEVIBDLUAL-MJGOQNOKSA-N 1 3 346.519 2.544 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001020676256 713345905 /nfs/dbraw/zinc/34/59/05/713345905.db2.gz YKDNIBSRBNITCG-JYJNAYRXSA-N 1 3 343.462 2.531 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3C(C)C)C2)c1 ZINC001020676107 713345985 /nfs/dbraw/zinc/34/59/85/713345985.db2.gz RKWBMUWMRKMQMS-VAMGGRTRSA-N 1 3 343.515 2.995 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CN([C@@H](C)c2ccccc2)C1 ZINC000970049979 713360476 /nfs/dbraw/zinc/36/04/76/713360476.db2.gz JKRKKSQFNIMLTG-IRXDYDNUSA-N 1 3 341.499 2.813 20 0 EFADHO C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CN(Cc2ccsc2)C1 ZINC000970060222 713365423 /nfs/dbraw/zinc/36/54/23/713365423.db2.gz OQLJXCKVGHISNG-CYBMUJFWSA-N 1 3 340.452 2.646 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112134 713429305 /nfs/dbraw/zinc/42/93/05/713429305.db2.gz CWADWEDTZJALKH-OALUTQOASA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112134 713429307 /nfs/dbraw/zinc/42/93/07/713429307.db2.gz CWADWEDTZJALKH-OALUTQOASA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112132 713429369 /nfs/dbraw/zinc/42/93/69/713429369.db2.gz CWADWEDTZJALKH-MOPGFXCFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039112132 713429371 /nfs/dbraw/zinc/42/93/71/713429371.db2.gz CWADWEDTZJALKH-MOPGFXCFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112137 713429429 /nfs/dbraw/zinc/42/94/29/713429429.db2.gz CWADWEDTZJALKH-RTBURBONSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039112137 713429432 /nfs/dbraw/zinc/42/94/32/713429432.db2.gz CWADWEDTZJALKH-RTBURBONSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001020928900 713442483 /nfs/dbraw/zinc/44/24/83/713442483.db2.gz PIRSVKJGNLQYSL-VGWMRTNUSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001020928900 713442484 /nfs/dbraw/zinc/44/24/84/713442484.db2.gz PIRSVKJGNLQYSL-VGWMRTNUSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001020928897 713442537 /nfs/dbraw/zinc/44/25/37/713442537.db2.gz PIRSVKJGNLQYSL-FZKCQIBNSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001020928897 713442539 /nfs/dbraw/zinc/44/25/39/713442539.db2.gz PIRSVKJGNLQYSL-FZKCQIBNSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001020928898 713442614 /nfs/dbraw/zinc/44/26/14/713442614.db2.gz PIRSVKJGNLQYSL-KLHDSHLOSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001020928898 713442615 /nfs/dbraw/zinc/44/26/15/713442615.db2.gz PIRSVKJGNLQYSL-KLHDSHLOSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001020980626 713466035 /nfs/dbraw/zinc/46/60/35/713466035.db2.gz OGDFQIAYQUNSML-BPUTZDHNSA-N 1 3 326.444 2.567 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001020981893 713466129 /nfs/dbraw/zinc/46/61/29/713466129.db2.gz RFHGFCVDBSMUIR-XLNGHYISSA-N 1 3 332.492 2.714 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000970176610 713506333 /nfs/dbraw/zinc/50/63/33/713506333.db2.gz FCRQHHODBYGXLP-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000970177566 713508492 /nfs/dbraw/zinc/50/84/92/713508492.db2.gz YQHDPEVLWAVERV-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000970177566 713508494 /nfs/dbraw/zinc/50/84/94/713508494.db2.gz YQHDPEVLWAVERV-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001021087704 713560786 /nfs/dbraw/zinc/56/07/86/713560786.db2.gz GNZDWEYSDRKNFH-PSBWJHGTSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001021091065 713562738 /nfs/dbraw/zinc/56/27/38/713562738.db2.gz RJHXHEJUWLNWPO-BMOGMMAESA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1C ZINC001021090884 713562784 /nfs/dbraw/zinc/56/27/84/713562784.db2.gz MXSFWXSDIPRCPL-HNBVOPMISA-N 1 3 343.515 2.913 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001021090986 713562929 /nfs/dbraw/zinc/56/29/29/713562929.db2.gz PXWDQOPOCIMVNS-JOCBIADPSA-N 1 3 333.520 2.676 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001021093518 713563940 /nfs/dbraw/zinc/56/39/40/713563940.db2.gz DZPFLPKUWPZDKP-WGSAOQKQSA-N 1 3 337.467 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001021094235 713564459 /nfs/dbraw/zinc/56/44/59/713564459.db2.gz MUTZYCXEYJHVSZ-UTRMSSBJSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001021096376 713574975 /nfs/dbraw/zinc/57/49/75/713574975.db2.gz PZEHZOHOMFQAMH-CPLYBDICSA-N 1 3 335.536 2.924 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001021096403 713575060 /nfs/dbraw/zinc/57/50/60/713575060.db2.gz RGIURTJCZPMNMX-JFIYKMOQSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001021096364 713575115 /nfs/dbraw/zinc/57/51/15/713575115.db2.gz PJWQGGZLSYOPOR-BZSNNMDCSA-N 1 3 349.906 2.951 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000970333922 713643026 /nfs/dbraw/zinc/64/30/26/713643026.db2.gz DZNZNWHFGBQYFS-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970360418 713661330 /nfs/dbraw/zinc/66/13/30/713661330.db2.gz FAGBAKWWZRADJL-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970367541 713667069 /nfs/dbraw/zinc/66/70/69/713667069.db2.gz SSTBKGOBJYLZIZ-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021254268 713714193 /nfs/dbraw/zinc/71/41/93/713714193.db2.gz JUPNGDFCLPZFNS-XLNWEVDSSA-N 1 3 339.911 2.723 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021254268 713714194 /nfs/dbraw/zinc/71/41/94/713714194.db2.gz JUPNGDFCLPZFNS-XLNWEVDSSA-N 1 3 339.911 2.723 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCC1 ZINC001021256942 713715321 /nfs/dbraw/zinc/71/53/21/713715321.db2.gz YROUNLWMPDSGGS-ALOPSCKCSA-N 1 3 339.499 2.722 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCC1 ZINC001021256942 713715323 /nfs/dbraw/zinc/71/53/23/713715323.db2.gz YROUNLWMPDSGGS-ALOPSCKCSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000970482901 713742861 /nfs/dbraw/zinc/74/28/61/713742861.db2.gz CLKKNGAWKXYKKC-NVXWUHKLSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000970482901 713742864 /nfs/dbraw/zinc/74/28/64/713742864.db2.gz CLKKNGAWKXYKKC-NVXWUHKLSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCC1 ZINC001021343334 713815133 /nfs/dbraw/zinc/81/51/33/713815133.db2.gz IYOKQKVTJSXHJL-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCC1 ZINC001021343334 713815137 /nfs/dbraw/zinc/81/51/37/713815137.db2.gz IYOKQKVTJSXHJL-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001021380756 713852541 /nfs/dbraw/zinc/85/25/41/713852541.db2.gz SXVLBBDGSMIRML-CSNJMZFVSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001021380756 713852544 /nfs/dbraw/zinc/85/25/44/713852544.db2.gz SXVLBBDGSMIRML-CSNJMZFVSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001021380707 713852628 /nfs/dbraw/zinc/85/26/28/713852628.db2.gz QVNXHMUZBJIEMD-FFHGMXDLSA-N 1 3 347.425 2.535 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001021380707 713852631 /nfs/dbraw/zinc/85/26/31/713852631.db2.gz QVNXHMUZBJIEMD-FFHGMXDLSA-N 1 3 347.425 2.535 20 0 EFADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001021400341 713873390 /nfs/dbraw/zinc/87/33/90/713873390.db2.gz UGNFBQIUMRXCEX-BPIHKTFHSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001021400341 713873392 /nfs/dbraw/zinc/87/33/92/713873392.db2.gz UGNFBQIUMRXCEX-BPIHKTFHSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)CC1 ZINC000970670572 713889325 /nfs/dbraw/zinc/88/93/25/713889325.db2.gz QUEROAOIRNWPSW-QGZVFWFLSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1 ZINC001021447751 713924329 /nfs/dbraw/zinc/92/43/29/713924329.db2.gz ABEKKISXAWBJCK-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001021447751 713924332 /nfs/dbraw/zinc/92/43/32/713924332.db2.gz ABEKKISXAWBJCK-AYHJJNSGSA-N 1 3 344.503 2.953 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970716893 713930652 /nfs/dbraw/zinc/93/06/52/713930652.db2.gz HXPCFOQFXOKJFV-QZTJIDSGSA-N 1 3 329.488 2.651 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc2c(c1)CCC2 ZINC000970717809 713931842 /nfs/dbraw/zinc/93/18/42/713931842.db2.gz NOFOKTSRGWHKNT-OXJNMPFZSA-N 1 3 341.499 2.523 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970720657 713932865 /nfs/dbraw/zinc/93/28/65/713932865.db2.gz XZSZPRMFUOVSCJ-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC000970785831 713991945 /nfs/dbraw/zinc/99/19/45/713991945.db2.gz GSCNLULMTQKXOM-HXUWFJFHSA-N 1 3 337.467 2.753 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000970789372 713995701 /nfs/dbraw/zinc/99/57/01/713995701.db2.gz YUTZZLVWEJUTLH-LEOMRAHMSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000970795322 714000970 /nfs/dbraw/zinc/00/09/70/714000970.db2.gz CUOMQUXEFRXDCK-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000970795850 714001965 /nfs/dbraw/zinc/00/19/65/714001965.db2.gz HFTZHHCWIKHORI-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC000970799761 714004054 /nfs/dbraw/zinc/00/40/54/714004054.db2.gz HXFJMPAOQAVHNA-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000970799371 714004072 /nfs/dbraw/zinc/00/40/72/714004072.db2.gz AVBQGLOICGPDQP-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000970800491 714009217 /nfs/dbraw/zinc/00/92/17/714009217.db2.gz QDVFIKVTOZEXSF-QZTJIDSGSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CCC2CC2)C1 ZINC000970915251 714130513 /nfs/dbraw/zinc/13/05/13/714130513.db2.gz FCRYKLBMLWIAJY-HNNXBMFYSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000970927845 714142689 /nfs/dbraw/zinc/14/26/89/714142689.db2.gz HUHPWBCDHSESJL-QAPCUYQASA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670759 714273812 /nfs/dbraw/zinc/27/38/12/714273812.db2.gz OHWPUUZKYRQTOW-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670759 714273814 /nfs/dbraw/zinc/27/38/14/714273814.db2.gz OHWPUUZKYRQTOW-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001021676847 714285760 /nfs/dbraw/zinc/28/57/60/714285760.db2.gz FGBMMSQSHCRSSK-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001021676847 714285761 /nfs/dbraw/zinc/28/57/61/714285761.db2.gz FGBMMSQSHCRSSK-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679065 714289623 /nfs/dbraw/zinc/28/96/23/714289623.db2.gz LNPPKMFPYGZOJC-SJLPKXTDSA-N 1 3 344.503 2.701 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@@H]3[C@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679065 714289627 /nfs/dbraw/zinc/28/96/27/714289627.db2.gz LNPPKMFPYGZOJC-SJLPKXTDSA-N 1 3 344.503 2.701 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680135 714292186 /nfs/dbraw/zinc/29/21/86/714292186.db2.gz VYEGMBKZDIWIPD-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680135 714292188 /nfs/dbraw/zinc/29/21/88/714292188.db2.gz VYEGMBKZDIWIPD-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200558 714460659 /nfs/dbraw/zinc/46/06/59/714460659.db2.gz HQQVXXZVNSRGTG-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200558 714460660 /nfs/dbraw/zinc/46/06/60/714460660.db2.gz HQQVXXZVNSRGTG-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC000971200152 714460936 /nfs/dbraw/zinc/46/09/36/714460936.db2.gz DRZHUVPUIGBKCF-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC000971200152 714460937 /nfs/dbraw/zinc/46/09/37/714460937.db2.gz DRZHUVPUIGBKCF-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207213 714464207 /nfs/dbraw/zinc/46/42/07/714464207.db2.gz AIYOKFWCCCUXHK-MSOLQXFVSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207213 714464208 /nfs/dbraw/zinc/46/42/08/714464208.db2.gz AIYOKFWCCCUXHK-MSOLQXFVSA-N 1 3 349.906 2.509 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980249849 717979189 /nfs/dbraw/zinc/97/91/89/717979189.db2.gz CESOGLKZASBPOI-WDSOQIARSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980249849 717979191 /nfs/dbraw/zinc/97/91/91/717979191.db2.gz CESOGLKZASBPOI-WDSOQIARSA-N 1 3 343.515 2.987 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@H]2C1 ZINC000980254961 717985218 /nfs/dbraw/zinc/98/52/18/717985218.db2.gz OIQIRZJYJFZMMF-KBAYOESNSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC000980254961 717985222 /nfs/dbraw/zinc/98/52/22/717985222.db2.gz OIQIRZJYJFZMMF-KBAYOESNSA-N 1 3 347.478 2.548 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980255858 717985950 /nfs/dbraw/zinc/98/59/50/717985950.db2.gz PXTCRFOAOLRPOP-JQHSSLGASA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980255858 717985954 /nfs/dbraw/zinc/98/59/54/717985954.db2.gz PXTCRFOAOLRPOP-JQHSSLGASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000891411895 714632429 /nfs/dbraw/zinc/63/24/29/714632429.db2.gz RQDUQNLNGGALCV-PBWTXFEYSA-N 1 3 344.503 2.639 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524889 714689639 /nfs/dbraw/zinc/68/96/39/714689639.db2.gz LQOVSFKZZBGARM-RBUKOAKNSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524889 714689641 /nfs/dbraw/zinc/68/96/41/714689641.db2.gz LQOVSFKZZBGARM-RBUKOAKNSA-N 1 3 347.478 2.731 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)N(C)C)cc1 ZINC000891447091 714711263 /nfs/dbraw/zinc/71/12/63/714711263.db2.gz UERQGNPIJAOKEE-MSOLQXFVSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1)N1CCCCC1 ZINC001022081840 714735190 /nfs/dbraw/zinc/73/51/90/714735190.db2.gz PJBOLRDLPZMJQS-ZRSRNVLSSA-N 1 3 347.547 2.924 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001022081841 714735234 /nfs/dbraw/zinc/73/52/34/714735234.db2.gz PJVZLYDGCAIOPD-CALCHBBNSA-N 1 3 335.536 2.924 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000971641055 714797306 /nfs/dbraw/zinc/79/73/06/714797306.db2.gz KZFQNJRRUBVICJ-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000971641055 714797310 /nfs/dbraw/zinc/79/73/10/714797310.db2.gz KZFQNJRRUBVICJ-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO [NH3+][C@H](C[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1)C1CCCC1 ZINC000891559265 714824335 /nfs/dbraw/zinc/82/43/35/714824335.db2.gz DAPAPBLWNDBKMQ-SZVBFZGTSA-N 1 3 348.535 2.552 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022163848 714844021 /nfs/dbraw/zinc/84/40/21/714844021.db2.gz ASCWKSGCSYFHJB-JZXOWHBKSA-N 1 3 349.906 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022163848 714844024 /nfs/dbraw/zinc/84/40/24/714844024.db2.gz ASCWKSGCSYFHJB-JZXOWHBKSA-N 1 3 349.906 2.951 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971673619 714872644 /nfs/dbraw/zinc/87/26/44/714872644.db2.gz IWQAYGLAMQRUAH-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971673619 714872645 /nfs/dbraw/zinc/87/26/45/714872645.db2.gz IWQAYGLAMQRUAH-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674029 714873137 /nfs/dbraw/zinc/87/31/37/714873137.db2.gz MVHNEUKDGIJYAB-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674029 714873140 /nfs/dbraw/zinc/87/31/40/714873140.db2.gz MVHNEUKDGIJYAB-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971676234 714873730 /nfs/dbraw/zinc/87/37/30/714873730.db2.gz DVZUXZGFOKDQPN-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971676234 714873733 /nfs/dbraw/zinc/87/37/33/714873733.db2.gz DVZUXZGFOKDQPN-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678554 714875440 /nfs/dbraw/zinc/87/54/40/714875440.db2.gz OAZMDYJRBAEHDT-ICSRJNTNSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971678554 714875442 /nfs/dbraw/zinc/87/54/42/714875442.db2.gz OAZMDYJRBAEHDT-ICSRJNTNSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971680300 714876220 /nfs/dbraw/zinc/87/62/20/714876220.db2.gz YLQHVUDMILRHTA-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971680300 714876223 /nfs/dbraw/zinc/87/62/23/714876223.db2.gz YLQHVUDMILRHTA-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(CF)cc3)C2)CCC1 ZINC000971679115 714876599 /nfs/dbraw/zinc/87/65/99/714876599.db2.gz RFALZUSIDJCDFH-SFHVURJKSA-N 1 3 347.478 2.673 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)CCC1 ZINC000971679115 714876601 /nfs/dbraw/zinc/87/66/01/714876601.db2.gz RFALZUSIDJCDFH-SFHVURJKSA-N 1 3 347.478 2.673 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC000971679427 714877441 /nfs/dbraw/zinc/87/74/41/714877441.db2.gz TUSCCVDAFIFBLT-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC000971679427 714877444 /nfs/dbraw/zinc/87/74/44/714877444.db2.gz TUSCCVDAFIFBLT-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971685743 714884900 /nfs/dbraw/zinc/88/49/00/714884900.db2.gz OWMCBLHVTCZOOR-RBUKOAKNSA-N 1 3 347.478 2.507 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685732 714885025 /nfs/dbraw/zinc/88/50/25/714885025.db2.gz OSIQQHRQJHCXKT-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685732 714885027 /nfs/dbraw/zinc/88/50/27/714885027.db2.gz OSIQQHRQJHCXKT-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000971685976 714885302 /nfs/dbraw/zinc/88/53/02/714885302.db2.gz PXLAGWWAYREFJV-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000971685976 714885304 /nfs/dbraw/zinc/88/53/04/714885304.db2.gz PXLAGWWAYREFJV-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686012 714885494 /nfs/dbraw/zinc/88/54/94/714885494.db2.gz QHZWWUOYZYNUDH-OALUTQOASA-N 1 3 347.478 2.529 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686012 714885497 /nfs/dbraw/zinc/88/54/97/714885497.db2.gz QHZWWUOYZYNUDH-OALUTQOASA-N 1 3 347.478 2.529 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000971685981 714885553 /nfs/dbraw/zinc/88/55/53/714885553.db2.gz PXLAGWWAYREFJV-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000971685981 714885556 /nfs/dbraw/zinc/88/55/56/714885556.db2.gz PXLAGWWAYREFJV-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000971686247 714885814 /nfs/dbraw/zinc/88/58/14/714885814.db2.gz BBHOIDYNDGNBFS-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000971686247 714885817 /nfs/dbraw/zinc/88/58/17/714885817.db2.gz BBHOIDYNDGNBFS-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686705 714886261 /nfs/dbraw/zinc/88/62/61/714886261.db2.gz FFRLVIHCMSNNBP-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686705 714886264 /nfs/dbraw/zinc/88/62/64/714886264.db2.gz FFRLVIHCMSNNBP-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971687380 714886884 /nfs/dbraw/zinc/88/68/84/714886884.db2.gz YSGAQVJKPNNYFZ-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971687380 714886887 /nfs/dbraw/zinc/88/68/87/714886887.db2.gz YSGAQVJKPNNYFZ-VQTJNVASSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689861 714887755 /nfs/dbraw/zinc/88/77/55/714887755.db2.gz NSVIXMVUFVWOST-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689861 714887758 /nfs/dbraw/zinc/88/77/58/714887758.db2.gz NSVIXMVUFVWOST-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000971777966 714956618 /nfs/dbraw/zinc/95/66/18/714956618.db2.gz IXGDJNWXKWPORK-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000971777966 714956621 /nfs/dbraw/zinc/95/66/21/714956621.db2.gz IXGDJNWXKWPORK-RTBURBONSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000971778262 714956729 /nfs/dbraw/zinc/95/67/29/714956729.db2.gz MDTKWCBSERBGBV-PKOBYXMFSA-N 1 3 342.487 2.541 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000971778262 714956733 /nfs/dbraw/zinc/95/67/33/714956733.db2.gz MDTKWCBSERBGBV-PKOBYXMFSA-N 1 3 342.487 2.541 20 0 EFADHO CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000891895820 715099296 /nfs/dbraw/zinc/09/92/96/715099296.db2.gz OHQLNGSDCDNQRS-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000891898702 715101342 /nfs/dbraw/zinc/10/13/42/715101342.db2.gz AWWNLDGCIBPRCI-NZSAHSFTSA-N 1 3 346.519 2.524 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035083 715227334 /nfs/dbraw/zinc/22/73/34/715227334.db2.gz XYTNUZJIEMVQRX-QFBILLFUSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035083 715227335 /nfs/dbraw/zinc/22/73/35/715227335.db2.gz XYTNUZJIEMVQRX-QFBILLFUSA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035083 715227336 /nfs/dbraw/zinc/22/73/36/715227336.db2.gz XYTNUZJIEMVQRX-QFBILLFUSA-N 1 3 339.524 2.907 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001022601942 715247225 /nfs/dbraw/zinc/24/72/25/715247225.db2.gz ZEBJRALHTHGCHO-QUSNUVHPSA-N 1 3 347.478 2.854 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001022601942 715247227 /nfs/dbraw/zinc/24/72/27/715247227.db2.gz ZEBJRALHTHGCHO-QUSNUVHPSA-N 1 3 347.478 2.854 20 0 EFADHO Cc1cc(F)ncc1CN1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000892193282 715316099 /nfs/dbraw/zinc/31/60/99/715316099.db2.gz RBQFIVXWMXDQNO-UHFFFAOYSA-N 1 3 334.483 2.520 20 0 EFADHO COc1ccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c(C)c1 ZINC000892194182 715321132 /nfs/dbraw/zinc/32/11/32/715321132.db2.gz TYXAIERJSJICDT-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001027044717 715341774 /nfs/dbraw/zinc/34/17/74/715341774.db2.gz COOMSFNGCNSKII-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1F ZINC001027045642 715343148 /nfs/dbraw/zinc/34/31/48/715343148.db2.gz WPVYXWKNECLJLH-PKOBYXMFSA-N 1 3 349.494 2.658 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943112 715362999 /nfs/dbraw/zinc/36/29/99/715362999.db2.gz DDAGAAPHNUZOAA-ZWKOTPCHSA-N 1 3 335.536 2.901 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943112 715363002 /nfs/dbraw/zinc/36/30/02/715363002.db2.gz DDAGAAPHNUZOAA-ZWKOTPCHSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)c1 ZINC000974991884 715406294 /nfs/dbraw/zinc/40/62/94/715406294.db2.gz FYYLQRXHVQBCCQ-LJQANCHMSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022711367 715406440 /nfs/dbraw/zinc/40/64/40/715406440.db2.gz YJUWPRYGKBBSFT-JCGIZDLHSA-N 1 3 349.906 2.870 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022711368 715406457 /nfs/dbraw/zinc/40/64/57/715406457.db2.gz YJUWPRYGKBBSFT-OLMNPRSZSA-N 1 3 349.906 2.870 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001022711343 715406510 /nfs/dbraw/zinc/40/65/10/715406510.db2.gz XMNQYJJRICQZRG-FCEWJHQRSA-N 1 3 339.499 2.626 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001022712218 715408076 /nfs/dbraw/zinc/40/80/76/715408076.db2.gz MRQBDZANWJJEAI-LBKNJMOBSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001027069124 715409520 /nfs/dbraw/zinc/40/95/20/715409520.db2.gz LGPXNALVJCVHNO-ICSRJNTNSA-N 1 3 345.531 2.890 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001027069284 715409554 /nfs/dbraw/zinc/40/95/54/715409554.db2.gz PCKOTFKMEXXZPX-JSGCOSHPSA-N 1 3 343.924 2.680 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027069370 715410167 /nfs/dbraw/zinc/41/01/67/715410167.db2.gz RJUUDDFZYSQEQT-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001022712468 715411700 /nfs/dbraw/zinc/41/17/00/715411700.db2.gz RFJDVAQDQALMCT-DFEHZGFQSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001027063254 715415146 /nfs/dbraw/zinc/41/51/46/715415146.db2.gz JQVDEFVBLMPKES-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063231 715415467 /nfs/dbraw/zinc/41/54/67/715415467.db2.gz JFIUXLYCQDBYNM-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1Cl ZINC001022713594 715417396 /nfs/dbraw/zinc/41/73/96/715417396.db2.gz KXKJHJCCHYYMLW-YHUYYLMFSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001027064296 715418134 /nfs/dbraw/zinc/41/81/34/715418134.db2.gz BCWISXCQXQRCPS-OXJNMPFZSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC001027064224 715418259 /nfs/dbraw/zinc/41/82/59/715418259.db2.gz ZJZCXOUVXGQCKX-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001022713870 715418875 /nfs/dbraw/zinc/41/88/75/715418875.db2.gz NAEGCABSYULWRR-DFEHZGFQSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001027065204 715419566 /nfs/dbraw/zinc/41/95/66/715419566.db2.gz SRJWHVSALMCMGK-IEBWSBKVSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027065144 715419860 /nfs/dbraw/zinc/41/98/60/715419860.db2.gz RPGCROKOBVHBSR-IEBWSBKVSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001027065397 715421134 /nfs/dbraw/zinc/42/11/34/715421134.db2.gz XYJPIVNBFBHYPL-RDJZCZTQSA-N 1 3 349.906 2.620 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027065574 715421239 /nfs/dbraw/zinc/42/12/39/715421239.db2.gz APQJSJQYMYSLLD-GOSISDBHSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715031 715427309 /nfs/dbraw/zinc/42/73/09/715427309.db2.gz CKIIMBQYTPKWBE-XOYOTBSWSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001022716959 715434511 /nfs/dbraw/zinc/43/45/11/715434511.db2.gz KWQSLKZTXSHJNG-OLMNPRSZSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718300 715439091 /nfs/dbraw/zinc/43/90/91/715439091.db2.gz BONXDJTUKVUTAE-PNBKFKSVSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718300 715439093 /nfs/dbraw/zinc/43/90/93/715439093.db2.gz BONXDJTUKVUTAE-PNBKFKSVSA-N 1 3 349.906 2.583 20 0 EFADHO C[NH2+]C[C@H]1CCN(CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262081318 715441241 /nfs/dbraw/zinc/44/12/41/715441241.db2.gz FDORNZMORGGHDO-GOSISDBHSA-N 1 3 332.488 2.923 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001022721510 715445408 /nfs/dbraw/zinc/44/54/08/715445408.db2.gz XQCNGGGVMKFBMC-MXASKKJJSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001022721510 715445413 /nfs/dbraw/zinc/44/54/13/715445413.db2.gz XQCNGGGVMKFBMC-MXASKKJJSA-N 1 3 349.906 2.583 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034846 715458125 /nfs/dbraw/zinc/45/81/25/715458125.db2.gz GDXFQCHRSLLOFV-KXBFYZLASA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034846 715458130 /nfs/dbraw/zinc/45/81/30/715458130.db2.gz GDXFQCHRSLLOFV-KXBFYZLASA-N 1 3 341.515 2.682 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331271 715465984 /nfs/dbraw/zinc/46/59/84/715465984.db2.gz FDVKJUVDDDWQOB-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331271 715465987 /nfs/dbraw/zinc/46/59/87/715465987.db2.gz FDVKJUVDDDWQOB-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001027070601 715494640 /nfs/dbraw/zinc/49/46/40/715494640.db2.gz UQPNPKDESKHAFT-PMACEKPBSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091071 715544659 /nfs/dbraw/zinc/54/46/59/715544659.db2.gz CSBMHDCGQMLUMG-AWEZNQCLSA-N 1 3 346.862 2.552 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232843 715568861 /nfs/dbraw/zinc/56/88/61/715568861.db2.gz UPZYSKLWGBOLJZ-HNAYVOBHSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235579 715575283 /nfs/dbraw/zinc/57/52/83/715575283.db2.gz QDSVCGKDWCQGSG-IBGZPJMESA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972264813 715610760 /nfs/dbraw/zinc/61/07/60/715610760.db2.gz HSEOXQCWWVYBIX-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972264813 715610762 /nfs/dbraw/zinc/61/07/62/715610762.db2.gz HSEOXQCWWVYBIX-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000972265646 715612570 /nfs/dbraw/zinc/61/25/70/715612570.db2.gz OSQYMLLSXJMTHN-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000972265646 715612572 /nfs/dbraw/zinc/61/25/72/715612572.db2.gz OSQYMLLSXJMTHN-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001027139530 715683467 /nfs/dbraw/zinc/68/34/67/715683467.db2.gz KNMHTQDVAUVEFY-IBGZPJMESA-N 1 3 343.515 2.665 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330017 715697649 /nfs/dbraw/zinc/69/76/49/715697649.db2.gz CXQJBOYWHBFQHU-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330017 715697653 /nfs/dbraw/zinc/69/76/53/715697653.db2.gz CXQJBOYWHBFQHU-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972329832 715699011 /nfs/dbraw/zinc/69/90/11/715699011.db2.gz CLQNQBNQKRXSIV-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972329832 715699014 /nfs/dbraw/zinc/69/90/14/715699014.db2.gz CLQNQBNQKRXSIV-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972331273 715699719 /nfs/dbraw/zinc/69/97/19/715699719.db2.gz JAHHGTHDWSBCQA-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972331273 715699721 /nfs/dbraw/zinc/69/97/21/715699721.db2.gz JAHHGTHDWSBCQA-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000972330456 715700851 /nfs/dbraw/zinc/70/08/51/715700851.db2.gz GNGCJOPDUWMHTQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000972330456 715700852 /nfs/dbraw/zinc/70/08/52/715700852.db2.gz GNGCJOPDUWMHTQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972330423 715701017 /nfs/dbraw/zinc/70/10/17/715701017.db2.gz GDFNLXHUNYKCQF-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972330423 715701022 /nfs/dbraw/zinc/70/10/22/715701022.db2.gz GDFNLXHUNYKCQF-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972330421 715701197 /nfs/dbraw/zinc/70/11/97/715701197.db2.gz GDFNLXHUNYKCQF-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972330421 715701203 /nfs/dbraw/zinc/70/12/03/715701203.db2.gz GDFNLXHUNYKCQF-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972332045 715701584 /nfs/dbraw/zinc/70/15/84/715701584.db2.gz AHDOOHQUFLJOGP-APWZRJJASA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972332045 715701589 /nfs/dbraw/zinc/70/15/89/715701589.db2.gz AHDOOHQUFLJOGP-APWZRJJASA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972332182 715703317 /nfs/dbraw/zinc/70/33/17/715703317.db2.gz NQSHXVDSYYROKI-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972332182 715703321 /nfs/dbraw/zinc/70/33/21/715703321.db2.gz NQSHXVDSYYROKI-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972332936 715704882 /nfs/dbraw/zinc/70/48/82/715704882.db2.gz RZZRJFYXCLNYMM-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972332936 715704887 /nfs/dbraw/zinc/70/48/87/715704887.db2.gz RZZRJFYXCLNYMM-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038240747 715706416 /nfs/dbraw/zinc/70/64/16/715706416.db2.gz QTOXMGWDLCIXRS-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038240747 715706420 /nfs/dbraw/zinc/70/64/20/715706420.db2.gz QTOXMGWDLCIXRS-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334162 715707473 /nfs/dbraw/zinc/70/74/73/715707473.db2.gz DZJXCTDXVATXJE-QAPCUYQASA-N 1 3 349.906 2.715 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334162 715707476 /nfs/dbraw/zinc/70/74/76/715707476.db2.gz DZJXCTDXVATXJE-QAPCUYQASA-N 1 3 349.906 2.715 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334148 715707630 /nfs/dbraw/zinc/70/76/30/715707630.db2.gz DXVNVCAPZSABEF-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334148 715707633 /nfs/dbraw/zinc/70/76/33/715707633.db2.gz DXVNVCAPZSABEF-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000972334177 715707905 /nfs/dbraw/zinc/70/79/05/715707905.db2.gz FDERLYJHGBJQED-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000972334177 715707909 /nfs/dbraw/zinc/70/79/09/715707909.db2.gz FDERLYJHGBJQED-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000972334494 715708270 /nfs/dbraw/zinc/70/82/70/715708270.db2.gz HHMNPTOEDMDDHJ-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000972334494 715708274 /nfs/dbraw/zinc/70/82/74/715708274.db2.gz HHMNPTOEDMDDHJ-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027408739 715708605 /nfs/dbraw/zinc/70/86/05/715708605.db2.gz WWXMSWMUYVHLIC-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027408739 715708608 /nfs/dbraw/zinc/70/86/08/715708608.db2.gz WWXMSWMUYVHLIC-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334728 715708663 /nfs/dbraw/zinc/70/86/63/715708663.db2.gz IVXPPWNBVVDEIW-APWZRJJASA-N 1 3 347.478 2.531 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334728 715708667 /nfs/dbraw/zinc/70/86/67/715708667.db2.gz IVXPPWNBVVDEIW-APWZRJJASA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1F ZINC000972334945 715709375 /nfs/dbraw/zinc/70/93/75/715709375.db2.gz LPOLLFCZIIDEHU-QAPCUYQASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1F ZINC000972334945 715709379 /nfs/dbraw/zinc/70/93/79/715709379.db2.gz LPOLLFCZIIDEHU-QAPCUYQASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972336513 715712068 /nfs/dbraw/zinc/71/20/68/715712068.db2.gz XVQCDPMPOUNCDI-BEFAXECRSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972336513 715712072 /nfs/dbraw/zinc/71/20/72/715712072.db2.gz XVQCDPMPOUNCDI-BEFAXECRSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001027416339 715728778 /nfs/dbraw/zinc/72/87/78/715728778.db2.gz FJRSEVPQYQNFAT-KBAYOESNSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001027416339 715728783 /nfs/dbraw/zinc/72/87/83/715728783.db2.gz FJRSEVPQYQNFAT-KBAYOESNSA-N 1 3 349.544 2.820 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022808126 715730052 /nfs/dbraw/zinc/73/00/52/715730052.db2.gz PZPXFROXXPMMDZ-OTWHNJEPSA-N 1 3 333.520 2.987 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001022807738 715730072 /nfs/dbraw/zinc/73/00/72/715730072.db2.gz MRNRSHLJBKEKKB-CEXWTWQISA-N 1 3 347.478 2.825 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000972352954 715738045 /nfs/dbraw/zinc/73/80/45/715738045.db2.gz DVJHGHVSFPGDAN-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000972352954 715738048 /nfs/dbraw/zinc/73/80/48/715738048.db2.gz DVJHGHVSFPGDAN-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353934 715738588 /nfs/dbraw/zinc/73/85/88/715738588.db2.gz JOUVVKAWJFPPCT-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353934 715738591 /nfs/dbraw/zinc/73/85/91/715738591.db2.gz JOUVVKAWJFPPCT-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000972353831 715738728 /nfs/dbraw/zinc/73/87/28/715738728.db2.gz IXSDUQBXFUNVCD-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000972353831 715738731 /nfs/dbraw/zinc/73/87/31/715738731.db2.gz IXSDUQBXFUNVCD-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000972353821 715739061 /nfs/dbraw/zinc/73/90/61/715739061.db2.gz IXGDJNWXKWPORK-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000972353821 715739065 /nfs/dbraw/zinc/73/90/65/715739065.db2.gz IXGDJNWXKWPORK-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000972354197 715739633 /nfs/dbraw/zinc/73/96/33/715739633.db2.gz KBIGSTMLHLTZHQ-IRXDYDNUSA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000972354197 715739636 /nfs/dbraw/zinc/73/96/36/715739636.db2.gz KBIGSTMLHLTZHQ-IRXDYDNUSA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000972355045 715741755 /nfs/dbraw/zinc/74/17/55/715741755.db2.gz RGDVYVZICRKHES-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000972355045 715741760 /nfs/dbraw/zinc/74/17/60/715741760.db2.gz RGDVYVZICRKHES-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000972355032 715742250 /nfs/dbraw/zinc/74/22/50/715742250.db2.gz RBXCCTKTBJJEDY-MSOLQXFVSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000972355032 715742254 /nfs/dbraw/zinc/74/22/54/715742254.db2.gz RBXCCTKTBJJEDY-MSOLQXFVSA-N 1 3 335.467 2.507 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001027441000 715810149 /nfs/dbraw/zinc/81/01/49/715810149.db2.gz PJRBAORZAVXTOH-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001027441000 715810152 /nfs/dbraw/zinc/81/01/52/715810152.db2.gz PJRBAORZAVXTOH-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001027441198 715810223 /nfs/dbraw/zinc/81/02/23/715810223.db2.gz AYXKSHGVEMNMTR-IBGZPJMESA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001027441198 715810227 /nfs/dbraw/zinc/81/02/27/715810227.db2.gz AYXKSHGVEMNMTR-IBGZPJMESA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001027441573 715811653 /nfs/dbraw/zinc/81/16/53/715811653.db2.gz GFVFWYMSCMCAOG-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001027441573 715811657 /nfs/dbraw/zinc/81/16/57/715811657.db2.gz GFVFWYMSCMCAOG-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)CCC1 ZINC001027441662 715812071 /nfs/dbraw/zinc/81/20/71/715812071.db2.gz WCARYGNOOMHLBN-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCC1 ZINC001027441662 715812076 /nfs/dbraw/zinc/81/20/76/715812076.db2.gz WCARYGNOOMHLBN-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001027443165 715816427 /nfs/dbraw/zinc/81/64/27/715816427.db2.gz JKOAYGMLNOOWFQ-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001027443165 715816431 /nfs/dbraw/zinc/81/64/31/715816431.db2.gz JKOAYGMLNOOWFQ-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443537 715818313 /nfs/dbraw/zinc/81/83/13/715818313.db2.gz MRPOBSZPYJWABV-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443537 715818317 /nfs/dbraw/zinc/81/83/17/715818317.db2.gz MRPOBSZPYJWABV-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001027442240 715823219 /nfs/dbraw/zinc/82/32/19/715823219.db2.gz RHJBGTRCIKVHHF-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001027442240 715823222 /nfs/dbraw/zinc/82/32/22/715823222.db2.gz RHJBGTRCIKVHHF-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027451881 715846724 /nfs/dbraw/zinc/84/67/24/715846724.db2.gz IKEZWKWTAAMOQM-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027451881 715846730 /nfs/dbraw/zinc/84/67/30/715846730.db2.gz IKEZWKWTAAMOQM-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1)[NH+](C)C ZINC001027452596 715852797 /nfs/dbraw/zinc/85/27/97/715852797.db2.gz RNXSZZYLNVHJLT-IRXDYDNUSA-N 1 3 337.533 2.757 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC001027459794 715874768 /nfs/dbraw/zinc/87/47/68/715874768.db2.gz BSEWBSWUSQTYRB-DOTOQJQBSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC001027459794 715874772 /nfs/dbraw/zinc/87/47/72/715874772.db2.gz BSEWBSWUSQTYRB-DOTOQJQBSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426888 715876868 /nfs/dbraw/zinc/87/68/68/715876868.db2.gz RHTGWUDCVSBFNL-ROUUACIJSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426888 715876871 /nfs/dbraw/zinc/87/68/71/715876871.db2.gz RHTGWUDCVSBFNL-ROUUACIJSA-N 1 3 326.444 2.636 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429659 715881444 /nfs/dbraw/zinc/88/14/44/715881444.db2.gz MTNBBNRKHKGAIB-DOTOQJQBSA-N 1 3 326.444 2.555 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429659 715881448 /nfs/dbraw/zinc/88/14/48/715881448.db2.gz MTNBBNRKHKGAIB-DOTOQJQBSA-N 1 3 326.444 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027462469 715886167 /nfs/dbraw/zinc/88/61/67/715886167.db2.gz YLFCKFDWACIZHX-RTBURBONSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027462469 715886173 /nfs/dbraw/zinc/88/61/73/715886173.db2.gz YLFCKFDWACIZHX-RTBURBONSA-N 1 3 349.494 2.919 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217285 715921021 /nfs/dbraw/zinc/92/10/21/715921021.db2.gz HHKNZCLZAQATKQ-MRXNPFEDSA-N 1 3 349.906 2.682 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1Cl ZINC001027216974 715921106 /nfs/dbraw/zinc/92/11/06/715921106.db2.gz CMWOOSJIKANHBZ-HZPDHXFCSA-N 1 3 349.906 2.935 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001027216557 715921128 /nfs/dbraw/zinc/92/11/28/715921128.db2.gz AUKBUECJDNXLCT-CVEARBPZSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218100 715922119 /nfs/dbraw/zinc/92/21/19/715922119.db2.gz XNPVEGXBLMOZGL-ZWKOTPCHSA-N 1 3 329.488 2.590 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001027233023 715944572 /nfs/dbraw/zinc/94/45/72/715944572.db2.gz WFZWBWOVRFRCIW-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CC3CCCC3)C2)c1 ZINC001027234264 715946331 /nfs/dbraw/zinc/94/63/31/715946331.db2.gz TWWZGKKNDJUBGW-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001027234620 715946994 /nfs/dbraw/zinc/94/69/94/715946994.db2.gz ANZAEJFQEHPKCC-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001027235985 715950009 /nfs/dbraw/zinc/95/00/09/715950009.db2.gz ZNKQGGDKKXSMTL-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001027235296 715957950 /nfs/dbraw/zinc/95/79/50/715957950.db2.gz OTRNKJACIZLBGD-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1)C1CCC1 ZINC000985468414 724441419 /nfs/dbraw/zinc/44/14/19/724441419.db2.gz UCQMCZPOEBUINR-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1)C1CCC1 ZINC000985468414 724441421 /nfs/dbraw/zinc/44/14/21/724441421.db2.gz UCQMCZPOEBUINR-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CCc2cccs2)CC1)C1CCC1 ZINC000985468571 724441626 /nfs/dbraw/zinc/44/16/26/724441626.db2.gz WVKUIIXVBGDWAW-UHFFFAOYSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1)C1CCC1 ZINC000985468571 724441627 /nfs/dbraw/zinc/44/16/27/724441627.db2.gz WVKUIIXVBGDWAW-UHFFFAOYSA-N 1 3 349.544 2.698 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482879 716012973 /nfs/dbraw/zinc/01/29/73/716012973.db2.gz OGMSCPABKXPUSK-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248800 716013315 /nfs/dbraw/zinc/01/33/15/716013315.db2.gz PSKBMNNEJXTGIC-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248800 716013321 /nfs/dbraw/zinc/01/33/21/716013321.db2.gz PSKBMNNEJXTGIC-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893492531 716027162 /nfs/dbraw/zinc/02/71/62/716027162.db2.gz QASBOLJEZOMGBD-CSODTCANSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001022976969 716047212 /nfs/dbraw/zinc/04/72/12/716047212.db2.gz PIRSVKJGNLQYSL-FPCVCCKLSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001022976969 716047217 /nfs/dbraw/zinc/04/72/17/716047217.db2.gz PIRSVKJGNLQYSL-FPCVCCKLSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029106948 722877685 /nfs/dbraw/zinc/87/76/85/722877685.db2.gz DOFMWFGEAMTPBA-UZLBHIALSA-N 1 3 343.515 2.744 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001029001787 722620050 /nfs/dbraw/zinc/62/00/50/722620050.db2.gz CFMFWTRXIPXZQH-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001029001787 722620053 /nfs/dbraw/zinc/62/00/53/722620053.db2.gz CFMFWTRXIPXZQH-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001023024646 716093601 /nfs/dbraw/zinc/09/36/01/716093601.db2.gz CZFNKCKABCTOMP-XYPHTWIQSA-N 1 3 326.444 2.567 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001023024994 716093701 /nfs/dbraw/zinc/09/37/01/716093701.db2.gz PYTJFUKHCPCKSY-HDICACEKSA-N 1 3 338.455 2.575 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001023122828 716161951 /nfs/dbraw/zinc/16/19/51/716161951.db2.gz GNZDWEYSDRKNFH-AMBYYYRHSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001023123333 716162246 /nfs/dbraw/zinc/16/22/46/716162246.db2.gz SSFMLTAKIMLQHT-MKXGPGLRSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001023123185 716162248 /nfs/dbraw/zinc/16/22/48/716162248.db2.gz RJHXHEJUWLNWPO-LFGUQSLTSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c(C)c1 ZINC001023124287 716163064 /nfs/dbraw/zinc/16/30/64/716163064.db2.gz FABZHKGYBGNADG-LFGUQSLTSA-N 1 3 343.515 2.913 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023124298 716163074 /nfs/dbraw/zinc/16/30/74/716163074.db2.gz FBPQLMPMYVRWOV-RWQQGDIJSA-N 1 3 333.520 2.987 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023124296 716163118 /nfs/dbraw/zinc/16/31/18/716163118.db2.gz FBPQLMPMYVRWOV-AMBYYYRHSA-N 1 3 333.520 2.987 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001023124166 716163155 /nfs/dbraw/zinc/16/31/55/716163155.db2.gz ARIPRLLPKFTALI-NFQUHZNNSA-N 1 3 343.515 2.859 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001023124222 716163236 /nfs/dbraw/zinc/16/32/36/716163236.db2.gz CLPUBJPLZQIFKE-NXNVCVFFSA-N 1 3 349.906 2.950 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023125423 716163645 /nfs/dbraw/zinc/16/36/45/716163645.db2.gz PXWDQOPOCIMVNS-AHCXZYCDSA-N 1 3 333.520 2.676 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001023130614 716165915 /nfs/dbraw/zinc/16/59/15/716165915.db2.gz XAAXLPOYQVXWEB-OTWHNJEPSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023130868 716166126 /nfs/dbraw/zinc/16/61/26/716166126.db2.gz JYDHHKJDILVJBR-KSZLIROESA-N 1 3 333.520 2.678 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977442780 716218353 /nfs/dbraw/zinc/21/83/53/716218353.db2.gz YGQYXGVNAONMLT-LJQANCHMSA-N 1 3 347.547 2.901 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC000977447506 716223860 /nfs/dbraw/zinc/22/38/60/716223860.db2.gz FASXJNMXTDKXTR-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977447506 716223864 /nfs/dbraw/zinc/22/38/64/716223864.db2.gz FASXJNMXTDKXTR-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027652248 716331736 /nfs/dbraw/zinc/33/17/36/716331736.db2.gz PPZROECBAUIDCU-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027652248 716331740 /nfs/dbraw/zinc/33/17/40/716331740.db2.gz PPZROECBAUIDCU-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023365205 716384358 /nfs/dbraw/zinc/38/43/58/716384358.db2.gz ZKEVPJREVRQJJS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023365205 716384363 /nfs/dbraw/zinc/38/43/63/716384363.db2.gz ZKEVPJREVRQJJS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC000985470742 724443940 /nfs/dbraw/zinc/44/39/40/724443940.db2.gz QDBLCJREPYESFS-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC000985470742 724443942 /nfs/dbraw/zinc/44/39/42/724443942.db2.gz QDBLCJREPYESFS-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637480 716415597 /nfs/dbraw/zinc/41/55/97/716415597.db2.gz GGFRLEXGNJJYMM-YJBOKZPZSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637480 716415602 /nfs/dbraw/zinc/41/56/02/716415602.db2.gz GGFRLEXGNJJYMM-YJBOKZPZSA-N 1 3 349.494 2.937 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000977621157 716421177 /nfs/dbraw/zinc/42/11/77/716421177.db2.gz IVLFEUFBYIFODD-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000977621157 716421180 /nfs/dbraw/zinc/42/11/80/716421180.db2.gz IVLFEUFBYIFODD-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000977621154 716421584 /nfs/dbraw/zinc/42/15/84/716421584.db2.gz IVLFEUFBYIFODD-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000977621154 716421586 /nfs/dbraw/zinc/42/15/86/716421586.db2.gz IVLFEUFBYIFODD-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402696 716423306 /nfs/dbraw/zinc/42/33/06/716423306.db2.gz QYIYZZXGSNNIQT-HUUCEWRRSA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402696 716423311 /nfs/dbraw/zinc/42/33/11/716423311.db2.gz QYIYZZXGSNNIQT-HUUCEWRRSA-N 1 3 349.441 2.641 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1)C1CC1 ZINC000985470961 724444128 /nfs/dbraw/zinc/44/41/28/724444128.db2.gz RFCUTRIPOUSXRD-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1)C1CC1 ZINC000985470961 724444129 /nfs/dbraw/zinc/44/41/29/724444129.db2.gz RFCUTRIPOUSXRD-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@H+](CC3CC3)CC2(C)C)c1 ZINC000977639691 716430164 /nfs/dbraw/zinc/43/01/64/716430164.db2.gz KKUBSVNWBQQAQK-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@@H+](CC3CC3)CC2(C)C)c1 ZINC000977639691 716430165 /nfs/dbraw/zinc/43/01/65/716430165.db2.gz KKUBSVNWBQQAQK-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027547419 716449321 /nfs/dbraw/zinc/44/93/21/716449321.db2.gz RXMBSQIPPLEAJH-SZMVWBNQSA-N 1 3 349.544 2.901 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027547419 716449324 /nfs/dbraw/zinc/44/93/24/716449324.db2.gz RXMBSQIPPLEAJH-SZMVWBNQSA-N 1 3 349.544 2.901 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803173 716455890 /nfs/dbraw/zinc/45/58/90/716455890.db2.gz XVAQVUHCIGRWAP-AKHDSKFASA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978803173 716455892 /nfs/dbraw/zinc/45/58/92/716455892.db2.gz XVAQVUHCIGRWAP-AKHDSKFASA-N 1 3 335.536 2.589 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027680287 716486393 /nfs/dbraw/zinc/48/63/93/716486393.db2.gz CGOSDQUGKILAGX-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027680287 716486397 /nfs/dbraw/zinc/48/63/97/716486397.db2.gz CGOSDQUGKILAGX-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681047 716488795 /nfs/dbraw/zinc/48/87/95/716488795.db2.gz OKHKYELEUNVLAE-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681047 716488798 /nfs/dbraw/zinc/48/87/98/716488798.db2.gz OKHKYELEUNVLAE-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC001027681074 716489066 /nfs/dbraw/zinc/48/90/66/716489066.db2.gz OQTIZPATYGYFSP-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001027681074 716489071 /nfs/dbraw/zinc/48/90/71/716489071.db2.gz OQTIZPATYGYFSP-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027562024 716561734 /nfs/dbraw/zinc/56/17/34/716561734.db2.gz IKEZWKWTAAMOQM-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027562024 716561736 /nfs/dbraw/zinc/56/17/36/716561736.db2.gz IKEZWKWTAAMOQM-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001023555373 716620597 /nfs/dbraw/zinc/62/05/97/716620597.db2.gz WKCZVUYJHKXFHY-JZXOWHBKSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001023555373 716620600 /nfs/dbraw/zinc/62/06/00/716620600.db2.gz WKCZVUYJHKXFHY-JZXOWHBKSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575690 716704860 /nfs/dbraw/zinc/70/48/60/716704860.db2.gz CFPWTFDFWSDWAZ-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575690 716704864 /nfs/dbraw/zinc/70/48/64/716704864.db2.gz CFPWTFDFWSDWAZ-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027575664 716705278 /nfs/dbraw/zinc/70/52/78/716705278.db2.gz BZMPDFMJNCOKCS-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027575664 716705285 /nfs/dbraw/zinc/70/52/85/716705285.db2.gz BZMPDFMJNCOKCS-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001027576094 716709047 /nfs/dbraw/zinc/70/90/47/716709047.db2.gz KBYAHKZQWFSZLX-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001027576094 716709049 /nfs/dbraw/zinc/70/90/49/716709049.db2.gz KBYAHKZQWFSZLX-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001027576430 716713362 /nfs/dbraw/zinc/71/33/62/716713362.db2.gz OUIOYYPAFWSNFR-YJBOKZPZSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cs1 ZINC001027576430 716713368 /nfs/dbraw/zinc/71/33/68/716713368.db2.gz OUIOYYPAFWSNFR-YJBOKZPZSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027576539 716714555 /nfs/dbraw/zinc/71/45/55/716714555.db2.gz QYJXXHITJKBGAD-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027576539 716714558 /nfs/dbraw/zinc/71/45/58/716714558.db2.gz QYJXXHITJKBGAD-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027576695 716715629 /nfs/dbraw/zinc/71/56/29/716715629.db2.gz UWBCRIVWMKCGSI-DOTOQJQBSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](N(C)Cc2ccsc2)C1 ZINC001027576695 716715634 /nfs/dbraw/zinc/71/56/34/716715634.db2.gz UWBCRIVWMKCGSI-DOTOQJQBSA-N 1 3 335.517 2.655 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CC1 ZINC000972611597 716721468 /nfs/dbraw/zinc/72/14/68/716721468.db2.gz CTVQAHYDZDISIP-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CC1 ZINC000972611597 716721469 /nfs/dbraw/zinc/72/14/69/716721469.db2.gz CTVQAHYDZDISIP-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC000972611783 716722143 /nfs/dbraw/zinc/72/21/43/716722143.db2.gz FFGBONDNTUPZHC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC000972611783 716722148 /nfs/dbraw/zinc/72/21/48/716722148.db2.gz FFGBONDNTUPZHC-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577512 716722278 /nfs/dbraw/zinc/72/22/78/716722278.db2.gz MPMNWBLOJREITQ-QAPCUYQASA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577512 716722283 /nfs/dbraw/zinc/72/22/83/716722283.db2.gz MPMNWBLOJREITQ-QAPCUYQASA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577637 716723871 /nfs/dbraw/zinc/72/38/71/716723871.db2.gz PGIQBTHKBUNRML-YJBOKZPZSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577637 716723874 /nfs/dbraw/zinc/72/38/74/716723874.db2.gz PGIQBTHKBUNRML-YJBOKZPZSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000978141736 716838789 /nfs/dbraw/zinc/83/87/89/716838789.db2.gz GNCGAIQODJRMFS-YSTOQKLRSA-N 1 3 345.531 2.654 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000978141736 716838794 /nfs/dbraw/zinc/83/87/94/716838794.db2.gz GNCGAIQODJRMFS-YSTOQKLRSA-N 1 3 345.531 2.654 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001023696512 716839238 /nfs/dbraw/zinc/83/92/38/716839238.db2.gz OLQLGLGHWSMLNW-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023696512 716839239 /nfs/dbraw/zinc/83/92/39/716839239.db2.gz OLQLGLGHWSMLNW-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593921 716874574 /nfs/dbraw/zinc/87/45/74/716874574.db2.gz AAUWMDKTCLKBJL-FUHWJXTLSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593921 716874577 /nfs/dbraw/zinc/87/45/77/716874577.db2.gz AAUWMDKTCLKBJL-FUHWJXTLSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593920 716874800 /nfs/dbraw/zinc/87/48/00/716874800.db2.gz AAUWMDKTCLKBJL-AEFFLSMTSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593920 716874804 /nfs/dbraw/zinc/87/48/04/716874804.db2.gz AAUWMDKTCLKBJL-AEFFLSMTSA-N 1 3 340.471 2.945 20 0 EFADHO C[N@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593984 716875198 /nfs/dbraw/zinc/87/51/98/716875198.db2.gz BFZMHEYVJSCVHH-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CC1CCCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593984 716875203 /nfs/dbraw/zinc/87/52/03/716875203.db2.gz BFZMHEYVJSCVHH-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594166 716875866 /nfs/dbraw/zinc/87/58/66/716875866.db2.gz DPVXBXPLEQHFSY-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594166 716875871 /nfs/dbraw/zinc/87/58/71/716875871.db2.gz DPVXBXPLEQHFSY-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978232632 716906729 /nfs/dbraw/zinc/90/67/29/716906729.db2.gz OCXGWHSSIKABMR-AKHDSKFASA-N 1 3 347.547 2.591 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978232632 716906735 /nfs/dbraw/zinc/90/67/35/716906735.db2.gz OCXGWHSSIKABMR-AKHDSKFASA-N 1 3 347.547 2.591 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027602578 716931230 /nfs/dbraw/zinc/93/12/30/716931230.db2.gz XUYFMYLFDLLRIG-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602578 716931234 /nfs/dbraw/zinc/93/12/34/716931234.db2.gz XUYFMYLFDLLRIG-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027602580 716931273 /nfs/dbraw/zinc/93/12/73/716931273.db2.gz XUYFMYLFDLLRIG-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602580 716931277 /nfs/dbraw/zinc/93/12/77/716931277.db2.gz XUYFMYLFDLLRIG-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](CCC3CC3)C2)c1 ZINC001023761746 716974369 /nfs/dbraw/zinc/97/43/69/716974369.db2.gz IEVZZMUWRNFEFV-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001023761746 716974373 /nfs/dbraw/zinc/97/43/73/716974373.db2.gz IEVZZMUWRNFEFV-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023761754 716974595 /nfs/dbraw/zinc/97/45/95/716974595.db2.gz IRSCCRXLTOIBQL-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023761754 716974597 /nfs/dbraw/zinc/97/45/97/716974597.db2.gz IRSCCRXLTOIBQL-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023763490 716976313 /nfs/dbraw/zinc/97/63/13/716976313.db2.gz OTTQTRRSDRGMEK-MRXNPFEDSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023763490 716976320 /nfs/dbraw/zinc/97/63/20/716976320.db2.gz OTTQTRRSDRGMEK-MRXNPFEDSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CCCF)C2)c1 ZINC001023761963 716976623 /nfs/dbraw/zinc/97/66/23/716976623.db2.gz NVTBGAACHLJBKS-KRWDZBQOSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CCCF)C2)c1 ZINC001023761963 716976625 /nfs/dbraw/zinc/97/66/25/716976625.db2.gz NVTBGAACHLJBKS-KRWDZBQOSA-N 1 3 335.467 2.550 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001024016540 717212744 /nfs/dbraw/zinc/21/27/44/717212744.db2.gz IBRSLQBDBXEVQF-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001024016680 717214213 /nfs/dbraw/zinc/21/42/13/717214213.db2.gz MLQRPOYPYJDLHO-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001024017090 717215194 /nfs/dbraw/zinc/21/51/94/717215194.db2.gz ACKHKYRGNGYYQO-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001024019176 717216258 /nfs/dbraw/zinc/21/62/58/717216258.db2.gz VXFWKYXUGFVGPJ-MAUKXSAKSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001024019132 717216284 /nfs/dbraw/zinc/21/62/84/717216284.db2.gz VKPQGRSYFGHFIK-APWZRJJASA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001024019179 717216686 /nfs/dbraw/zinc/21/66/86/717216686.db2.gz VXFWKYXUGFVGPJ-YJBOKZPZSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001024019177 717216783 /nfs/dbraw/zinc/21/67/83/717216783.db2.gz VXFWKYXUGFVGPJ-QAPCUYQASA-N 1 3 335.536 2.591 20 0 EFADHO C[N@H+](CCC1CCCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405103 717218001 /nfs/dbraw/zinc/21/80/01/717218001.db2.gz FIQQCFOWFCCFDU-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CCC1CCCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405103 717218005 /nfs/dbraw/zinc/21/80/05/717218005.db2.gz FIQQCFOWFCCFDU-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001024017848 717219377 /nfs/dbraw/zinc/21/93/77/717219377.db2.gz YIEIAVZLWYJICR-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001024018079 717219441 /nfs/dbraw/zinc/21/94/41/717219441.db2.gz KCZCVRHDZBOKCH-UYAOXDASSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001024018309 717220027 /nfs/dbraw/zinc/22/00/27/717220027.db2.gz MMKMLIMXPYUBKM-UYAOXDASSA-N 1 3 343.515 2.663 20 0 EFADHO C[N@H+](Cc1ccccc1C1CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407480 717222035 /nfs/dbraw/zinc/22/20/35/717222035.db2.gz YIEOBFXIGHENRM-LJQANCHMSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](Cc1ccccc1C1CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407480 717222038 /nfs/dbraw/zinc/22/20/38/717222038.db2.gz YIEOBFXIGHENRM-LJQANCHMSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408149 717223152 /nfs/dbraw/zinc/22/31/52/717223152.db2.gz IBRUXQKVBGPZBF-QGZVFWFLSA-N 1 3 341.455 2.561 20 0 EFADHO C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408149 717223156 /nfs/dbraw/zinc/22/31/56/717223156.db2.gz IBRUXQKVBGPZBF-QGZVFWFLSA-N 1 3 341.455 2.561 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001024019457 717228430 /nfs/dbraw/zinc/22/84/30/717228430.db2.gz ZLVCNPVURFHFOF-PXNSSMCTSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001024026684 717236956 /nfs/dbraw/zinc/23/69/56/717236956.db2.gz GQLIXUDQHJKSIY-AEFFLSMTSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024027173 717237297 /nfs/dbraw/zinc/23/72/97/717237297.db2.gz PWZSEEWUEMPOSW-HKUYNNGSSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001024027379 717237316 /nfs/dbraw/zinc/23/73/16/717237316.db2.gz RLZHGTCSOQJDSX-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930073 717242883 /nfs/dbraw/zinc/24/28/83/717242883.db2.gz MLEKVAHZBAJBLY-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930073 717242886 /nfs/dbraw/zinc/24/28/86/717242886.db2.gz MLEKVAHZBAJBLY-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001024039331 717250103 /nfs/dbraw/zinc/25/01/03/717250103.db2.gz UODNLBASNGBYDV-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CCC3CC3)C2)c1 ZINC000980471845 717310410 /nfs/dbraw/zinc/31/04/10/717310410.db2.gz PPWJVZUCMXZHNE-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)c1 ZINC000980471845 717310415 /nfs/dbraw/zinc/31/04/15/717310415.db2.gz PPWJVZUCMXZHNE-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000980486093 717329041 /nfs/dbraw/zinc/32/90/41/717329041.db2.gz QGDUDHBKMKLCHS-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000980486093 717329045 /nfs/dbraw/zinc/32/90/45/717329045.db2.gz QGDUDHBKMKLCHS-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000980482672 717339997 /nfs/dbraw/zinc/33/99/97/717339997.db2.gz BFQPULALHRVJCG-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000980482672 717340002 /nfs/dbraw/zinc/34/00/02/717340002.db2.gz BFQPULALHRVJCG-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001024155857 717449852 /nfs/dbraw/zinc/44/98/52/717449852.db2.gz BIYNLOKYEXOVJX-MJGOQNOKSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156105 717450471 /nfs/dbraw/zinc/45/04/71/717450471.db2.gz IIAVKIOWRSYCKT-HKUYNNGSSA-N 1 3 333.520 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024156918 717451749 /nfs/dbraw/zinc/45/17/49/717451749.db2.gz VEQVREDUDMURKV-PKOBYXMFSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001024159435 717453473 /nfs/dbraw/zinc/45/34/73/717453473.db2.gz FJVSNGLGSYJQCP-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024157353 717454286 /nfs/dbraw/zinc/45/42/86/717454286.db2.gz ZNZDQAFDQHRFGL-CVEARBPZSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024157355 717454347 /nfs/dbraw/zinc/45/43/47/717454347.db2.gz ZNZDQAFDQHRFGL-HOTGVXAUSA-N 1 3 335.517 2.561 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001024157101 717454485 /nfs/dbraw/zinc/45/44/85/717454485.db2.gz WXQKWYXIFWUCIQ-QGZVFWFLSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1F ZINC001024178849 717476922 /nfs/dbraw/zinc/47/69/22/717476922.db2.gz GBPNIGGWEOGVIT-GJZGRUSLSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980605717 717477844 /nfs/dbraw/zinc/47/78/44/717477844.db2.gz VUYJKHVGGPCEPN-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180332 717479411 /nfs/dbraw/zinc/47/94/11/717479411.db2.gz VYUMWIGDOUSJEI-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180334 717479468 /nfs/dbraw/zinc/47/94/68/717479468.db2.gz VYUMWIGDOUSJEI-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001024180345 717479736 /nfs/dbraw/zinc/47/97/36/717479736.db2.gz WCEMPLNHVHXFMJ-HUUCEWRRSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980607425 717488252 /nfs/dbraw/zinc/48/82/52/717488252.db2.gz OQPQSJSEROLIAC-IAGOWNOFSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980608268 717488913 /nfs/dbraw/zinc/48/89/13/717488913.db2.gz ZKVSGHVBWHLCNV-HOTGVXAUSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC001024211567 717496199 /nfs/dbraw/zinc/49/61/99/717496199.db2.gz DAKBTLXSPCSLTH-KRWDZBQOSA-N 1 3 349.544 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024278071 717563130 /nfs/dbraw/zinc/56/31/30/717563130.db2.gz AZYIEYUMCWYIMG-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699870 717604963 /nfs/dbraw/zinc/60/49/63/717604963.db2.gz GMVVHIOPOVPWOE-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980701087 717606267 /nfs/dbraw/zinc/60/62/67/717606267.db2.gz YJKCUMNSAMTSEX-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703369 717608094 /nfs/dbraw/zinc/60/80/94/717608094.db2.gz FAOGVZWJQXEFRE-CRAIPNDOSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980705414 717611084 /nfs/dbraw/zinc/61/10/84/717611084.db2.gz ZCCSWZRZDVUUSU-DLBZAZTESA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC000980708742 717640161 /nfs/dbraw/zinc/64/01/61/717640161.db2.gz OGGDMFYDIVTVHY-IUODEOHRSA-N 1 3 346.500 2.657 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739350 717658527 /nfs/dbraw/zinc/65/85/27/717658527.db2.gz PHUPEUBJRFLVJE-MSOLQXFVSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740151 717659142 /nfs/dbraw/zinc/65/91/42/717659142.db2.gz VGJSYNRRQSTNAC-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027878593 717740614 /nfs/dbraw/zinc/74/06/14/717740614.db2.gz DTYSJISPQNNPKE-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027878593 717740616 /nfs/dbraw/zinc/74/06/16/717740616.db2.gz DTYSJISPQNNPKE-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001027879448 717746868 /nfs/dbraw/zinc/74/68/68/717746868.db2.gz SIFJMJPFVGFKCS-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001027879448 717746874 /nfs/dbraw/zinc/74/68/74/717746874.db2.gz SIFJMJPFVGFKCS-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001027879448 717746878 /nfs/dbraw/zinc/74/68/78/717746878.db2.gz SIFJMJPFVGFKCS-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001027879448 717746886 /nfs/dbraw/zinc/74/68/86/717746886.db2.gz SIFJMJPFVGFKCS-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801689 717765969 /nfs/dbraw/zinc/76/59/69/717765969.db2.gz VLOBDUFZLOYVCO-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801718 717766287 /nfs/dbraw/zinc/76/62/87/717766287.db2.gz VZVQBMKRHYHPIF-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000980802067 717767262 /nfs/dbraw/zinc/76/72/62/717767262.db2.gz XYYPYLFDQKGGKB-CVEARBPZSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000980799654 717774123 /nfs/dbraw/zinc/77/41/23/717774123.db2.gz JWGGJHCSEIEUST-WMLDXEAASA-N 1 3 349.544 2.787 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001027985145 717786997 /nfs/dbraw/zinc/78/69/97/717786997.db2.gz CYBNTUVTNUGBLC-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001027985145 717787000 /nfs/dbraw/zinc/78/70/00/717787000.db2.gz CYBNTUVTNUGBLC-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001027985144 717787028 /nfs/dbraw/zinc/78/70/28/717787028.db2.gz CYBNTUVTNUGBLC-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC001027985144 717787029 /nfs/dbraw/zinc/78/70/29/717787029.db2.gz CYBNTUVTNUGBLC-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476906 717788646 /nfs/dbraw/zinc/78/86/46/717788646.db2.gz GXLFHRVURMNGKB-OALUTQOASA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024476906 717788651 /nfs/dbraw/zinc/78/86/51/717788651.db2.gz GXLFHRVURMNGKB-OALUTQOASA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811868 717789528 /nfs/dbraw/zinc/78/95/28/717789528.db2.gz SMILMERVFHPADI-QFBILLFUSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001029753341 724469809 /nfs/dbraw/zinc/46/98/09/724469809.db2.gz CVXQHOVMWOVDFN-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001029753341 724469810 /nfs/dbraw/zinc/46/98/10/724469810.db2.gz CVXQHOVMWOVDFN-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(NC[C@@H]1CCCCN1CCCF)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479903 717805742 /nfs/dbraw/zinc/80/57/42/717805742.db2.gz TUNHJTBSXQHMOJ-ROUUACIJSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@@H]1CCCCN1CCCF)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479903 717805743 /nfs/dbraw/zinc/80/57/43/717805743.db2.gz TUNHJTBSXQHMOJ-ROUUACIJSA-N 1 3 339.499 2.724 20 0 EFADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503003 717832702 /nfs/dbraw/zinc/83/27/02/717832702.db2.gz UNSJBYUDTMFUAF-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001029754724 724473635 /nfs/dbraw/zinc/47/36/35/724473635.db2.gz CDZGPBGZWHSWRC-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001029754724 724473638 /nfs/dbraw/zinc/47/36/38/724473638.db2.gz CDZGPBGZWHSWRC-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980174263 717858381 /nfs/dbraw/zinc/85/83/81/717858381.db2.gz UMFVGQVIMYAUKR-KSZLIROESA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980174263 717858384 /nfs/dbraw/zinc/85/83/84/717858384.db2.gz UMFVGQVIMYAUKR-KSZLIROESA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001029755237 724474483 /nfs/dbraw/zinc/47/44/83/724474483.db2.gz KEQLFGWSXAHOCU-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001029755237 724474484 /nfs/dbraw/zinc/47/44/84/724474484.db2.gz KEQLFGWSXAHOCU-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001029754959 724474537 /nfs/dbraw/zinc/47/45/37/724474537.db2.gz GFIZZBHRTZZDRB-CRAIPNDOSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001029754959 724474538 /nfs/dbraw/zinc/47/45/38/724474538.db2.gz GFIZZBHRTZZDRB-CRAIPNDOSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001029755745 724475641 /nfs/dbraw/zinc/47/56/41/724475641.db2.gz SOWNDYSYDZMPMV-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001029755745 724475643 /nfs/dbraw/zinc/47/56/43/724475643.db2.gz SOWNDYSYDZMPMV-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904646 724475978 /nfs/dbraw/zinc/47/59/78/724475978.db2.gz ZWUSVGKHXBDTGG-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904646 724475981 /nfs/dbraw/zinc/47/59/81/724475981.db2.gz ZWUSVGKHXBDTGG-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904330 724477415 /nfs/dbraw/zinc/47/74/15/724477415.db2.gz SVNATPBCVPZFOR-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904330 724477417 /nfs/dbraw/zinc/47/74/17/724477417.db2.gz SVNATPBCVPZFOR-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904332 724477465 /nfs/dbraw/zinc/47/74/65/724477465.db2.gz SVNATPBCVPZFOR-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904332 724477467 /nfs/dbraw/zinc/47/74/67/724477467.db2.gz SVNATPBCVPZFOR-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905316 724478626 /nfs/dbraw/zinc/47/86/26/724478626.db2.gz LGTRKEVKPAUJIY-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905316 724478629 /nfs/dbraw/zinc/47/86/29/724478629.db2.gz LGTRKEVKPAUJIY-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027917934 718092109 /nfs/dbraw/zinc/09/21/09/718092109.db2.gz HSKZXRSUFYFJDS-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027917934 718092111 /nfs/dbraw/zinc/09/21/11/718092111.db2.gz HSKZXRSUFYFJDS-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027918248 718093647 /nfs/dbraw/zinc/09/36/47/718093647.db2.gz LDYCCFNIUAURHS-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027918248 718093651 /nfs/dbraw/zinc/09/36/51/718093651.db2.gz LDYCCFNIUAURHS-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001027918614 718095522 /nfs/dbraw/zinc/09/55/22/718095522.db2.gz OXOXEZSUFUMYBU-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC001027918614 718095527 /nfs/dbraw/zinc/09/55/27/718095527.db2.gz OXOXEZSUFUMYBU-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921438 718102861 /nfs/dbraw/zinc/10/28/61/718102861.db2.gz OREICDUYKNUEHN-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921438 718102867 /nfs/dbraw/zinc/10/28/67/718102867.db2.gz OREICDUYKNUEHN-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921440 718103144 /nfs/dbraw/zinc/10/31/44/718103144.db2.gz OREICDUYKNUEHN-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921440 718103145 /nfs/dbraw/zinc/10/31/45/718103145.db2.gz OREICDUYKNUEHN-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029761369 724482253 /nfs/dbraw/zinc/48/22/53/724482253.db2.gz RAMKGTBVOZAGAX-HKUYNNGSSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029761369 724482257 /nfs/dbraw/zinc/48/22/57/724482257.db2.gz RAMKGTBVOZAGAX-HKUYNNGSSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981143193 718151954 /nfs/dbraw/zinc/15/19/54/718151954.db2.gz FMNDADNTIAXJGO-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981143193 718151956 /nfs/dbraw/zinc/15/19/56/718151956.db2.gz FMNDADNTIAXJGO-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981143787 718152247 /nfs/dbraw/zinc/15/22/47/718152247.db2.gz UYBYDNMZAYBTDS-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981143787 718152249 /nfs/dbraw/zinc/15/22/49/718152249.db2.gz UYBYDNMZAYBTDS-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001029767662 724486048 /nfs/dbraw/zinc/48/60/48/724486048.db2.gz XKVVFDCVVRPPBZ-WOJBJXKFSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001029767662 724486050 /nfs/dbraw/zinc/48/60/50/724486050.db2.gz XKVVFDCVVRPPBZ-WOJBJXKFSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029767202 724485185 /nfs/dbraw/zinc/48/51/85/724485185.db2.gz MDELUWDNDOSMMO-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029767202 724485189 /nfs/dbraw/zinc/48/51/89/724485189.db2.gz MDELUWDNDOSMMO-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169497 718163545 /nfs/dbraw/zinc/16/35/45/718163545.db2.gz ZQZXNIPRZQBOKQ-FXAWDEMLSA-N 1 3 341.499 2.624 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001024802052 718169045 /nfs/dbraw/zinc/16/90/45/718169045.db2.gz RTMSAOFPSZNNEL-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001024802052 718169046 /nfs/dbraw/zinc/16/90/46/718169046.db2.gz RTMSAOFPSZNNEL-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001024803892 718170231 /nfs/dbraw/zinc/17/02/31/718170231.db2.gz MADQXSXMJGGJNP-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001024803892 718170236 /nfs/dbraw/zinc/17/02/36/718170236.db2.gz MADQXSXMJGGJNP-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024813951 718174137 /nfs/dbraw/zinc/17/41/37/718174137.db2.gz KLIBYNAMDJQDRO-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024813951 718174138 /nfs/dbraw/zinc/17/41/38/718174138.db2.gz KLIBYNAMDJQDRO-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC001024902169 718213570 /nfs/dbraw/zinc/21/35/70/718213570.db2.gz JTLMGKBAUCVERT-IAGOWNOFSA-N 1 3 335.517 2.621 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001024902184 718213617 /nfs/dbraw/zinc/21/36/17/718213617.db2.gz KHPAQVCBPQGVJR-SJLPKXTDSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892530447 718218208 /nfs/dbraw/zinc/21/82/08/718218208.db2.gz OFXFTLFBAQGVGO-RBUKOAKNSA-N 1 3 346.519 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001024982120 718247426 /nfs/dbraw/zinc/24/74/26/718247426.db2.gz FOKQEIQENRBEAN-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001024982276 718247514 /nfs/dbraw/zinc/24/75/14/718247514.db2.gz KSNFAYNYLQWBIJ-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001024982973 718248236 /nfs/dbraw/zinc/24/82/36/718248236.db2.gz ILQPSILLLRSHMQ-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001024984464 718249001 /nfs/dbraw/zinc/24/90/01/718249001.db2.gz GJIIKPBUIGPNDE-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001024985593 718249697 /nfs/dbraw/zinc/24/96/97/718249697.db2.gz QSKXUNOOEZQIIP-IRXDYDNUSA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001024998771 718255714 /nfs/dbraw/zinc/25/57/14/718255714.db2.gz JDHYROAFFCINHC-RTBURBONSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001024998819 718255787 /nfs/dbraw/zinc/25/57/87/718255787.db2.gz LACDHSKZLRLSPF-RTBURBONSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1)N(C)C ZINC000985498094 724496649 /nfs/dbraw/zinc/49/66/49/724496649.db2.gz ZZGAHZKMOJRAHG-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1)N(C)C ZINC000985498094 724496654 /nfs/dbraw/zinc/49/66/54/724496654.db2.gz ZZGAHZKMOJRAHG-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985495186 724493321 /nfs/dbraw/zinc/49/33/21/724493321.db2.gz IRTIAISBSQNKCC-GOEBONIOSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985495186 724493322 /nfs/dbraw/zinc/49/33/22/724493322.db2.gz IRTIAISBSQNKCC-GOEBONIOSA-N 1 3 345.478 2.685 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029910517 724496924 /nfs/dbraw/zinc/49/69/24/724496924.db2.gz NZAABVPMIJULMZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029910517 724496925 /nfs/dbraw/zinc/49/69/25/724496925.db2.gz NZAABVPMIJULMZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN1CCC([NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924577953 718331729 /nfs/dbraw/zinc/33/17/29/718331729.db2.gz MEDDMAODOLYMPB-AUUYWEPGSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN1CCC([NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924577956 718334059 /nfs/dbraw/zinc/33/40/59/718334059.db2.gz MEDDMAODOLYMPB-KUHUBIRLSA-N 1 3 335.467 2.855 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892612769 718341343 /nfs/dbraw/zinc/34/13/43/718341343.db2.gz DMRJTFQKDSNYGW-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001025073853 718341874 /nfs/dbraw/zinc/34/18/74/718341874.db2.gz UHHUPHBESYJCCH-IAGOWNOFSA-N 1 3 337.533 2.805 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001025083701 718349769 /nfs/dbraw/zinc/34/97/69/718349769.db2.gz BYYKRIPQKOZHPO-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2)C1 ZINC001025084565 718350251 /nfs/dbraw/zinc/35/02/51/718350251.db2.gz CYRYWAVDYLZAFI-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001025085565 718351337 /nfs/dbraw/zinc/35/13/37/718351337.db2.gz SIHPZZUSSYRSGW-SJLPKXTDSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001025085565 718351340 /nfs/dbraw/zinc/35/13/40/718351340.db2.gz SIHPZZUSSYRSGW-SJLPKXTDSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001025086862 718351388 /nfs/dbraw/zinc/35/13/88/718351388.db2.gz JDHYROAFFCINHC-MOPGFXCFSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001025087104 718351798 /nfs/dbraw/zinc/35/17/98/718351798.db2.gz RMYJCUCDCPQIKI-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC[N@@H+]1C ZINC000981193526 718490907 /nfs/dbraw/zinc/49/09/07/718490907.db2.gz BYMYVWIRWFPSEJ-POAQFYNOSA-N 1 3 341.499 2.548 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC[N@H+]1C ZINC000981193526 718490908 /nfs/dbraw/zinc/49/09/08/718490908.db2.gz BYMYVWIRWFPSEJ-POAQFYNOSA-N 1 3 341.499 2.548 20 0 EFADHO O=C(OCc1ccccc1)N1CC([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000892679567 718580701 /nfs/dbraw/zinc/58/07/01/718580701.db2.gz PXCKAMYSLFGXEM-UHFFFAOYSA-N 1 3 343.471 2.614 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC000985503544 724519506 /nfs/dbraw/zinc/51/95/06/724519506.db2.gz VXPSMPYOZYGLDU-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC000985503544 724519510 /nfs/dbraw/zinc/51/95/10/724519510.db2.gz VXPSMPYOZYGLDU-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981369209 718668452 /nfs/dbraw/zinc/66/84/52/718668452.db2.gz GRPJXOCZUKUDQL-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981369209 718668454 /nfs/dbraw/zinc/66/84/54/718668454.db2.gz GRPJXOCZUKUDQL-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1)[NH+](C)C ZINC000981387216 718673658 /nfs/dbraw/zinc/67/36/58/718673658.db2.gz FOWCBIPLTMZOAI-PMACEKPBSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1)[NH+](C)C ZINC000981387217 718673713 /nfs/dbraw/zinc/67/37/13/718673713.db2.gz FOWCBIPLTMZOAI-UXHICEINSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC000981390830 718679473 /nfs/dbraw/zinc/67/94/73/718679473.db2.gz KTDPUYZGGDOOLJ-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC000981390830 718679476 /nfs/dbraw/zinc/67/94/76/718679476.db2.gz KTDPUYZGGDOOLJ-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000981484905 718753618 /nfs/dbraw/zinc/75/36/18/718753618.db2.gz CXCOUBLQUCLFAZ-HOTGVXAUSA-N 1 3 346.500 2.848 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000981484886 718753763 /nfs/dbraw/zinc/75/37/63/718753763.db2.gz CKVBXKVSMKOYBA-IRXDYDNUSA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000981486245 718754882 /nfs/dbraw/zinc/75/48/82/718754882.db2.gz NAZVRICUDWQNAZ-MSOLQXFVSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000981489031 718757237 /nfs/dbraw/zinc/75/72/37/718757237.db2.gz YJTBAUIPSHIAGS-JKSUJKDBSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000981489027 718757356 /nfs/dbraw/zinc/75/73/56/718757356.db2.gz YJTBAUIPSHIAGS-CVEARBPZSA-N 1 3 332.492 2.714 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000981542938 718800681 /nfs/dbraw/zinc/80/06/81/718800681.db2.gz YGPBCSRWGLUYHM-ROUUACIJSA-N 1 3 329.488 2.789 20 0 EFADHO CC(C)CCN1CCC([NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000924596253 718875845 /nfs/dbraw/zinc/87/58/45/718875845.db2.gz PDSDBWOUHRBAJK-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2C/C=C/c2ccccc2)CC1 ZINC001028112579 718934247 /nfs/dbraw/zinc/93/42/47/718934247.db2.gz VBMYGYRGRBSTMS-MRSBXDGLSA-N 1 3 341.499 2.622 20 0 EFADHO CN(Cc1ccc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1)C1CC1 ZINC001164425614 718946442 /nfs/dbraw/zinc/94/64/42/718946442.db2.gz WYRIZRAFOOEQHN-VQTJNVASSA-N 1 3 334.467 2.751 20 0 EFADHO CCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981768727 719028129 /nfs/dbraw/zinc/02/81/29/719028129.db2.gz QBKUCLVWNUBRJF-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000981768727 719028131 /nfs/dbraw/zinc/02/81/31/719028131.db2.gz QBKUCLVWNUBRJF-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[NH+]1CCC(CNCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000892731825 719067070 /nfs/dbraw/zinc/06/70/70/719067070.db2.gz NLTHKVMCXHNKRS-UHFFFAOYSA-N 1 3 330.259 2.863 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981809539 719070527 /nfs/dbraw/zinc/07/05/27/719070527.db2.gz LWANPAMSVXHKAC-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981809539 719070532 /nfs/dbraw/zinc/07/05/32/719070532.db2.gz LWANPAMSVXHKAC-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2)C1CC1 ZINC000981811931 719071754 /nfs/dbraw/zinc/07/17/54/719071754.db2.gz BVTWRVZHMIQZRI-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2)C1CC1 ZINC000981811931 719071759 /nfs/dbraw/zinc/07/17/59/719071759.db2.gz BVTWRVZHMIQZRI-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2)C1CCC1 ZINC000981816348 719078979 /nfs/dbraw/zinc/07/89/79/719078979.db2.gz YLKQNAZQGYKUIF-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2)C1CCC1 ZINC000981816348 719078985 /nfs/dbraw/zinc/07/89/85/719078985.db2.gz YLKQNAZQGYKUIF-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1C)C2)N(C)C ZINC000981841775 719118988 /nfs/dbraw/zinc/11/89/88/719118988.db2.gz LENUCYJVQLCUJI-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1C)C2)N(C)C ZINC000981841775 719118989 /nfs/dbraw/zinc/11/89/89/719118989.db2.gz LENUCYJVQLCUJI-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000981872941 719148192 /nfs/dbraw/zinc/14/81/92/719148192.db2.gz FBRGVTSMJUNLPV-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000981872410 719148222 /nfs/dbraw/zinc/14/82/22/719148222.db2.gz KPBZFGZKJGYYSA-HXUWFJFHSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628679 719251448 /nfs/dbraw/zinc/25/14/48/719251448.db2.gz TXXHEUQGNPSJIH-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628679 719251450 /nfs/dbraw/zinc/25/14/50/719251450.db2.gz TXXHEUQGNPSJIH-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001025630966 719258720 /nfs/dbraw/zinc/25/87/20/719258720.db2.gz XNXPWHDWOSDGKU-SJORKVTESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001025630966 719258721 /nfs/dbraw/zinc/25/87/21/719258721.db2.gz XNXPWHDWOSDGKU-SJORKVTESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001025630963 719258731 /nfs/dbraw/zinc/25/87/31/719258731.db2.gz XNXPWHDWOSDGKU-DLBZAZTESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001025630963 719258732 /nfs/dbraw/zinc/25/87/32/719258732.db2.gz XNXPWHDWOSDGKU-DLBZAZTESA-N 1 3 349.494 2.938 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001019775897 719383487 /nfs/dbraw/zinc/38/34/87/719383487.db2.gz LKVOGHBZVSXBCW-KBXCAEBGSA-N 1 3 347.890 2.614 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001019820691 719391621 /nfs/dbraw/zinc/39/16/21/719391621.db2.gz UPEBNLNRKFDNTA-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001019820712 719391773 /nfs/dbraw/zinc/39/17/73/719391773.db2.gz VQBIZLNUXLMITI-PMACEKPBSA-N 1 3 343.515 2.602 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC000981992496 719405625 /nfs/dbraw/zinc/40/56/25/719405625.db2.gz WSKFVVDPMLBCND-DAWZGUTISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC000981992496 719405627 /nfs/dbraw/zinc/40/56/27/719405627.db2.gz WSKFVVDPMLBCND-DAWZGUTISA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC000982012390 719436730 /nfs/dbraw/zinc/43/67/30/719436730.db2.gz VXLOKBSLIOWREV-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC000982012390 719436733 /nfs/dbraw/zinc/43/67/33/719436733.db2.gz VXLOKBSLIOWREV-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2=CCCCC2)C3)C1 ZINC000982013570 719439194 /nfs/dbraw/zinc/43/91/94/719439194.db2.gz VXOLWRWEIVOZAA-GOSISDBHSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2=CCCCC2)C3)C1 ZINC000982013570 719439196 /nfs/dbraw/zinc/43/91/96/719439196.db2.gz VXOLWRWEIVOZAA-GOSISDBHSA-N 1 3 345.531 2.753 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2)N(C)C ZINC000982018625 719449342 /nfs/dbraw/zinc/44/93/42/719449342.db2.gz GRXJHARLYXUVBP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2)N(C)C ZINC000982018625 719449344 /nfs/dbraw/zinc/44/93/44/719449344.db2.gz GRXJHARLYXUVBP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](CC1CCCCCC1)C2 ZINC000982036455 719489995 /nfs/dbraw/zinc/48/99/95/719489995.db2.gz GZCNBCRKFRSUIK-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](CC1CCCCCC1)C2 ZINC000982036455 719489997 /nfs/dbraw/zinc/48/99/97/719489997.db2.gz GZCNBCRKFRSUIK-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339645 719513509 /nfs/dbraw/zinc/51/35/09/719513509.db2.gz JAIKCAXLLKPVRM-ZWKOTPCHSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339645 719513510 /nfs/dbraw/zinc/51/35/10/719513510.db2.gz JAIKCAXLLKPVRM-ZWKOTPCHSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)[NH+]1CCCCCC1 ZINC000982084652 719527356 /nfs/dbraw/zinc/52/73/56/719527356.db2.gz XAFRSNDRTYKQTN-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CCOC(=O)c1ncc(CNCCC2CC[NH+](CC)CC2)s1 ZINC000893065703 719558722 /nfs/dbraw/zinc/55/87/22/719558722.db2.gz AAQZTRQEXGGQQN-UHFFFAOYSA-N 1 3 325.478 2.531 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982160937 719619463 /nfs/dbraw/zinc/61/94/63/719619463.db2.gz GIQLISUWTDMZPH-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982160937 719619466 /nfs/dbraw/zinc/61/94/66/719619466.db2.gz GIQLISUWTDMZPH-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001026043334 719672980 /nfs/dbraw/zinc/67/29/80/719672980.db2.gz KOCBJDCUHWDEHV-DIJIZQCHSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001026043334 719672984 /nfs/dbraw/zinc/67/29/84/719672984.db2.gz KOCBJDCUHWDEHV-DIJIZQCHSA-N 1 3 341.499 2.526 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148525 719801909 /nfs/dbraw/zinc/80/19/09/719801909.db2.gz OBVSUKTYEPWETG-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148525 719801916 /nfs/dbraw/zinc/80/19/16/719801916.db2.gz OBVSUKTYEPWETG-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1 ZINC000982292542 719822455 /nfs/dbraw/zinc/82/24/55/719822455.db2.gz OBMTWRFYKYFIHB-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(C)C)C[C@]2(C)C1 ZINC000982292542 719822463 /nfs/dbraw/zinc/82/24/63/719822463.db2.gz OBMTWRFYKYFIHB-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295929 719838001 /nfs/dbraw/zinc/83/80/01/719838001.db2.gz GGFRZMZCWDMKBX-VUBSUSDNSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295929 719838010 /nfs/dbraw/zinc/83/80/10/719838010.db2.gz GGFRZMZCWDMKBX-VUBSUSDNSA-N 1 3 335.536 2.543 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)C4(N(C)C)CCC4)C[C@@]3(C)C2)C1 ZINC000982295988 719838863 /nfs/dbraw/zinc/83/88/63/719838863.db2.gz IVGDQXFLGHSQDA-HCABLIJQSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)C4(N(C)C)CCC4)C[C@@]3(C)C2)C1 ZINC000982295988 719838870 /nfs/dbraw/zinc/83/88/70/719838870.db2.gz IVGDQXFLGHSQDA-HCABLIJQSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297414 719843334 /nfs/dbraw/zinc/84/33/34/719843334.db2.gz HKDHRLIHBVCAEC-BGYRXZFFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297414 719843340 /nfs/dbraw/zinc/84/33/40/719843340.db2.gz HKDHRLIHBVCAEC-BGYRXZFFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982300886 719856432 /nfs/dbraw/zinc/85/64/32/719856432.db2.gz BCJTZMPXFDKAHO-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982300886 719856439 /nfs/dbraw/zinc/85/64/39/719856439.db2.gz BCJTZMPXFDKAHO-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(OC)c1OC ZINC000261686478 720040218 /nfs/dbraw/zinc/04/02/18/720040218.db2.gz NFFPJGUBPVQMMG-MRXNPFEDSA-N 1 3 334.460 2.676 20 0 EFADHO O=C(c1ccco1)N1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925537388 720100276 /nfs/dbraw/zinc/10/02/76/720100276.db2.gz WWEYBGSBJLBMNX-MSOLQXFVSA-N 1 3 345.487 2.642 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986354660 724649566 /nfs/dbraw/zinc/64/95/66/724649566.db2.gz KXGXTHHJTRFEHF-BEFAXECRSA-N 1 3 347.478 2.697 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCCC4)[C@@H]3C2)CCC1 ZINC001026281882 720120968 /nfs/dbraw/zinc/12/09/68/720120968.db2.gz KAEUBYXYVSQYNK-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986357714 724650709 /nfs/dbraw/zinc/65/07/09/724650709.db2.gz URHWQGJXYLAWPW-UZLBHIALSA-N 1 3 343.515 2.812 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3)[C@@H]2C1)C1CCC1 ZINC001026283912 720135231 /nfs/dbraw/zinc/13/52/31/720135231.db2.gz NARQBGMRTFRVPG-JQHSSLGASA-N 1 3 347.528 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c(C)s1 ZINC000986358207 724651288 /nfs/dbraw/zinc/65/12/88/724651288.db2.gz XGJZEBIDYSYTNH-KDOFPFPSSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1F ZINC000986358203 724651405 /nfs/dbraw/zinc/65/14/05/724651405.db2.gz XFZCKKNHUMIIBP-KXBFYZLASA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358590 724651611 /nfs/dbraw/zinc/65/16/11/724651611.db2.gz ZRZPKWRVVXUQMP-QFBILLFUSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c(C)c1 ZINC000986358506 724651777 /nfs/dbraw/zinc/65/17/77/724651777.db2.gz YRECOJYJZSLHHE-XLIONFOSSA-N 1 3 343.515 2.867 20 0 EFADHO C[NH+](C)CC1CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893940839 720172145 /nfs/dbraw/zinc/17/21/45/720172145.db2.gz REVUGFBEYBQFAW-AWEZNQCLSA-N 1 3 349.466 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986351593 724659756 /nfs/dbraw/zinc/65/97/56/724659756.db2.gz DAQOZDYDVJOOBZ-HNAYVOBHSA-N 1 3 347.478 2.697 20 0 EFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(CNC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000894082409 720263553 /nfs/dbraw/zinc/26/35/53/720263553.db2.gz DNRIWJLQMFFCPU-HDICACEKSA-N 1 3 345.487 2.705 20 0 EFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(CNC(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000894082409 720263557 /nfs/dbraw/zinc/26/35/57/720263557.db2.gz DNRIWJLQMFFCPU-HDICACEKSA-N 1 3 345.487 2.705 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029828781 724663911 /nfs/dbraw/zinc/66/39/11/724663911.db2.gz KKQGOYKZJPBMIX-IEBWSBKVSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029828781 724663912 /nfs/dbraw/zinc/66/39/12/724663912.db2.gz KKQGOYKZJPBMIX-IEBWSBKVSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029830045 724667526 /nfs/dbraw/zinc/66/75/26/724667526.db2.gz NXQKIWKXELNGRS-IEBWSBKVSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029830045 724667530 /nfs/dbraw/zinc/66/75/30/724667530.db2.gz NXQKIWKXELNGRS-IEBWSBKVSA-N 1 3 349.494 2.692 20 0 EFADHO CCCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028317080 720346820 /nfs/dbraw/zinc/34/68/20/720346820.db2.gz WSMPHRGAFMADEG-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028317080 720346825 /nfs/dbraw/zinc/34/68/25/720346825.db2.gz WSMPHRGAFMADEG-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729852 720356057 /nfs/dbraw/zinc/35/60/57/720356057.db2.gz YPQGRHDNAWWFFU-MOPGFXCFSA-N 1 3 333.439 2.822 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333021 720373465 /nfs/dbraw/zinc/37/34/65/720373465.db2.gz BIRRNCJXGNRAMM-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333021 720373470 /nfs/dbraw/zinc/37/34/70/720373470.db2.gz BIRRNCJXGNRAMM-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]12 ZINC001026427482 720558956 /nfs/dbraw/zinc/55/89/56/720558956.db2.gz OMBBHQWOIYFWSZ-GUDVDZBRSA-N 1 3 329.488 2.597 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026427483 720559077 /nfs/dbraw/zinc/55/90/77/720559077.db2.gz OMBBHQWOIYFWSZ-IPMKNSEASA-N 1 3 329.488 2.597 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(F)cc1 ZINC000947686239 720576564 /nfs/dbraw/zinc/57/65/64/720576564.db2.gz VUBCFDFSEXDOPU-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001029840454 724690388 /nfs/dbraw/zinc/69/03/88/724690388.db2.gz ZJGUUBBDKGEQNZ-NVXWUHKLSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001029840454 724690389 /nfs/dbraw/zinc/69/03/89/724690389.db2.gz ZJGUUBBDKGEQNZ-NVXWUHKLSA-N 1 3 349.544 2.679 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC001008407122 720605800 /nfs/dbraw/zinc/60/58/00/720605800.db2.gz QIMXLURTRZPLKJ-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029841476 724691800 /nfs/dbraw/zinc/69/18/00/724691800.db2.gz IVUQNFNRDYHKSE-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029841476 724691801 /nfs/dbraw/zinc/69/18/01/724691801.db2.gz IVUQNFNRDYHKSE-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841564 724691826 /nfs/dbraw/zinc/69/18/26/724691826.db2.gz KBXIAZXWNIUQAB-ROUUACIJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841564 724691827 /nfs/dbraw/zinc/69/18/27/724691827.db2.gz KBXIAZXWNIUQAB-ROUUACIJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841194 724692297 /nfs/dbraw/zinc/69/22/97/724692297.db2.gz GIHMTRMCKPSRQV-DLBZAZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841194 724692298 /nfs/dbraw/zinc/69/22/98/724692298.db2.gz GIHMTRMCKPSRQV-DLBZAZTESA-N 1 3 335.536 2.687 20 0 EFADHO OC1(c2cccnc2)CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925640130 720672199 /nfs/dbraw/zinc/67/21/99/720672199.db2.gz GGTQRSBKUUGMLX-OMYXNUHHSA-N 1 3 343.515 2.970 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001029842906 724697670 /nfs/dbraw/zinc/69/76/70/724697670.db2.gz YUTSJMWNRGCSGE-DOTOQJQBSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001029842906 724697671 /nfs/dbraw/zinc/69/76/71/724697671.db2.gz YUTSJMWNRGCSGE-DOTOQJQBSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001029842932 724698160 /nfs/dbraw/zinc/69/81/60/724698160.db2.gz ZDYSNKDKGXPXFD-IRXDYDNUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001029842932 724698161 /nfs/dbraw/zinc/69/81/61/724698161.db2.gz ZDYSNKDKGXPXFD-IRXDYDNUSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029843226 724702458 /nfs/dbraw/zinc/70/24/58/724702458.db2.gz GFEQMZIXKADXSP-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029843226 724702461 /nfs/dbraw/zinc/70/24/61/724702461.db2.gz GFEQMZIXKADXSP-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026561137 720748498 /nfs/dbraw/zinc/74/84/98/720748498.db2.gz PJXOFTUYPMZFHR-IVMQYODDSA-N 1 3 333.520 2.988 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC001026561300 720749479 /nfs/dbraw/zinc/74/94/79/720749479.db2.gz VAYNZQKGJIBEBC-KKXNLOMOSA-N 1 3 343.515 2.588 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)CN4CCC[C@@H]4C)C[C@@]3(C)C2)C1 ZINC000982553727 720821062 /nfs/dbraw/zinc/82/10/62/720821062.db2.gz PMBKTKPFBGIKMU-FHLDVFSJSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)CN4CCC[C@@H]4C)C[C@@]3(C)C2)C1 ZINC000982553727 720821065 /nfs/dbraw/zinc/82/10/65/720821065.db2.gz PMBKTKPFBGIKMU-FHLDVFSJSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554310 720822257 /nfs/dbraw/zinc/82/22/57/720822257.db2.gz VCLNGNNWPXGGQY-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554310 720822262 /nfs/dbraw/zinc/82/22/62/720822262.db2.gz VCLNGNNWPXGGQY-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982561204 720830781 /nfs/dbraw/zinc/83/07/81/720830781.db2.gz SZKVOVJQUBFYRC-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982561204 720830788 /nfs/dbraw/zinc/83/07/88/720830788.db2.gz SZKVOVJQUBFYRC-YSIASYRMSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982560861 720831124 /nfs/dbraw/zinc/83/11/24/720831124.db2.gz OJNXKHBNCHUEKR-YSIASYRMSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)N(C)C)C[C@@]2(C)C1 ZINC000982560861 720831133 /nfs/dbraw/zinc/83/11/33/720831133.db2.gz OJNXKHBNCHUEKR-YSIASYRMSA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511306 720852857 /nfs/dbraw/zinc/85/28/57/720852857.db2.gz WFPFWLWVKSFECL-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008511306 720852863 /nfs/dbraw/zinc/85/28/63/720852863.db2.gz WFPFWLWVKSFECL-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616973 720951638 /nfs/dbraw/zinc/95/16/38/720951638.db2.gz IUBBYZKRXKBJSB-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616973 720951642 /nfs/dbraw/zinc/95/16/42/720951642.db2.gz IUBBYZKRXKBJSB-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985613905 724715716 /nfs/dbraw/zinc/71/57/16/724715716.db2.gz FHBRSTKJTGHAKC-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(Cl)c1 ZINC001026735112 721005110 /nfs/dbraw/zinc/00/51/10/721005110.db2.gz YTFLSKUWRDCBMN-QAPCUYQASA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026735051 721005318 /nfs/dbraw/zinc/00/53/18/721005318.db2.gz YJCQDTYGTNTQKK-FXAWDEMLSA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001029944210 724726275 /nfs/dbraw/zinc/72/62/75/724726275.db2.gz FRZLTVRRVKMFJR-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001029944210 724726278 /nfs/dbraw/zinc/72/62/78/724726278.db2.gz FRZLTVRRVKMFJR-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001029947803 724730494 /nfs/dbraw/zinc/73/04/94/724730494.db2.gz WWPQXLUHZHZPQX-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001029947803 724730496 /nfs/dbraw/zinc/73/04/96/724730496.db2.gz WWPQXLUHZHZPQX-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028580349 721109447 /nfs/dbraw/zinc/10/94/47/721109447.db2.gz URVZSAFSSBOIFR-SJLPKXTDSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028580349 721109450 /nfs/dbraw/zinc/10/94/50/721109450.db2.gz URVZSAFSSBOIFR-SJLPKXTDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000893375778 721130406 /nfs/dbraw/zinc/13/04/06/721130406.db2.gz QMDSSUJUBJJKDT-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000893375778 721130409 /nfs/dbraw/zinc/13/04/09/721130409.db2.gz QMDSSUJUBJJKDT-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985636192 724737450 /nfs/dbraw/zinc/73/74/50/724737450.db2.gz DLNHJJUYYQJFHL-LJQANCHMSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985636192 724737454 /nfs/dbraw/zinc/73/74/54/724737454.db2.gz DLNHJJUYYQJFHL-LJQANCHMSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(N(C)Cc2ccccc2F)CC1)[NH+](C)C ZINC000985636272 724737984 /nfs/dbraw/zinc/73/79/84/724737984.db2.gz HYFAFIZCRYVZAH-LJQANCHMSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587806 721180797 /nfs/dbraw/zinc/18/07/97/721180797.db2.gz QELABLSVRZEWIZ-AEFFLSMTSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587806 721180799 /nfs/dbraw/zinc/18/07/99/721180799.db2.gz QELABLSVRZEWIZ-AEFFLSMTSA-N 1 3 349.544 2.664 20 0 EFADHO CC1(C)CN(CCCF)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000974680650 721275945 /nfs/dbraw/zinc/27/59/45/721275945.db2.gz JJBNJWADHZEJKM-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(CCCF)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000974680650 721275948 /nfs/dbraw/zinc/27/59/48/721275948.db2.gz JJBNJWADHZEJKM-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001026884983 721293758 /nfs/dbraw/zinc/29/37/58/721293758.db2.gz FBIQLCAAAJGTJL-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001026889067 721297118 /nfs/dbraw/zinc/29/71/18/721297118.db2.gz RMMBOBNVSZOKKX-HKUYNNGSSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888820 721297168 /nfs/dbraw/zinc/29/71/68/721297168.db2.gz OFYSKRMVGVOIQS-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001026888950 721297539 /nfs/dbraw/zinc/29/75/39/721297539.db2.gz PPUCTLZDQKTREJ-XLIONFOSSA-N 1 3 343.515 2.582 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001026889956 721298574 /nfs/dbraw/zinc/29/85/74/721298574.db2.gz GAAJABDRCJNOIM-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001026891392 721300916 /nfs/dbraw/zinc/30/09/16/721300916.db2.gz SUABJLYNPDZGSN-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001026886159 721305187 /nfs/dbraw/zinc/30/51/87/721305187.db2.gz RTFQWZMXNXVPRB-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001026886168 721305221 /nfs/dbraw/zinc/30/52/21/721305221.db2.gz SELFMENIJMSIPD-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001026886165 721305319 /nfs/dbraw/zinc/30/53/19/721305319.db2.gz RVXVFZKDNMOJFG-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887284 721306651 /nfs/dbraw/zinc/30/66/51/721306651.db2.gz NZBLQAWRRHKOCJ-FXAWDEMLSA-N 1 3 343.515 2.582 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982832993 721307200 /nfs/dbraw/zinc/30/72/00/721307200.db2.gz AENSSWNULIFSCE-OYRHEFFESA-N 1 3 343.515 2.942 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982832993 721307203 /nfs/dbraw/zinc/30/72/03/721307203.db2.gz AENSSWNULIFSCE-OYRHEFFESA-N 1 3 343.515 2.942 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026888039 721308523 /nfs/dbraw/zinc/30/85/23/721308523.db2.gz ABERCWGPWOWCAK-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001026888315 721308719 /nfs/dbraw/zinc/30/87/19/721308719.db2.gz CVXPNADFUDJVBJ-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026900830 721312263 /nfs/dbraw/zinc/31/22/63/721312263.db2.gz CZVBRWGCDSWYHV-APWZRJJASA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901768 721313182 /nfs/dbraw/zinc/31/31/82/721313182.db2.gz TXHXDWRKKVYVNW-APWZRJJASA-N 1 3 349.494 2.658 20 0 EFADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000985646995 724752610 /nfs/dbraw/zinc/75/26/10/724752610.db2.gz MUPOHBOQSYROCY-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000985646995 724752611 /nfs/dbraw/zinc/75/26/11/724752611.db2.gz MUPOHBOQSYROCY-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001026916185 721343430 /nfs/dbraw/zinc/34/34/30/721343430.db2.gz CRUGWDPEUDHXJX-DOTOQJQBSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001026916209 721343678 /nfs/dbraw/zinc/34/36/78/721343678.db2.gz DMKWMFKOQOIVOE-DOTOQJQBSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001026917075 721344092 /nfs/dbraw/zinc/34/40/92/721344092.db2.gz VIIALFCDDYTTCR-QZTJIDSGSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC000985648683 724756698 /nfs/dbraw/zinc/75/66/98/724756698.db2.gz XQKYDYTUVVXIGF-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC000985648683 724756701 /nfs/dbraw/zinc/75/67/01/724756701.db2.gz XQKYDYTUVVXIGF-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893395208 721374424 /nfs/dbraw/zinc/37/44/24/721374424.db2.gz LSJPLGWRXJJSJO-RBUKOAKNSA-N 1 3 348.535 2.662 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000974757143 721392979 /nfs/dbraw/zinc/39/29/79/721392979.db2.gz FZRDYOLTEYWFSW-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000974757143 721392981 /nfs/dbraw/zinc/39/29/81/721392981.db2.gz FZRDYOLTEYWFSW-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CCc3cccs3)CC2)C1 ZINC000985654458 724762874 /nfs/dbraw/zinc/76/28/74/724762874.db2.gz OSHUENPMIQBEEY-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCc3cccs3)CC2)C1 ZINC000985654458 724762876 /nfs/dbraw/zinc/76/28/76/724762876.db2.gz OSHUENPMIQBEEY-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)Cc3ccccc3F)CC2)C1 ZINC000985656253 724766841 /nfs/dbraw/zinc/76/68/41/724766841.db2.gz WSRDRUIERXVFHA-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)Cc3ccccc3F)CC2)C1 ZINC000985656253 724766843 /nfs/dbraw/zinc/76/68/43/724766843.db2.gz WSRDRUIERXVFHA-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164793217 721492593 /nfs/dbraw/zinc/49/25/93/721492593.db2.gz PVINWPGPALYXBY-UHFFFAOYSA-N 1 3 337.471 2.940 20 0 EFADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(N)n1)CC2 ZINC001164793217 721492597 /nfs/dbraw/zinc/49/25/97/721492597.db2.gz PVINWPGPALYXBY-UHFFFAOYSA-N 1 3 337.471 2.940 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852558 724773503 /nfs/dbraw/zinc/77/35/03/724773503.db2.gz DNYYVCXNGIETKX-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852558 724773506 /nfs/dbraw/zinc/77/35/06/724773506.db2.gz DNYYVCXNGIETKX-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001029853056 724774906 /nfs/dbraw/zinc/77/49/06/724774906.db2.gz KMLSBLZBZITKAG-SFHVURJKSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001029853056 724774909 /nfs/dbraw/zinc/77/49/09/724774909.db2.gz KMLSBLZBZITKAG-SFHVURJKSA-N 1 3 340.471 2.550 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC001029970232 724777159 /nfs/dbraw/zinc/77/71/59/724777159.db2.gz QLIKJFFYXKLIME-IBGZPJMESA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC001029970232 724777162 /nfs/dbraw/zinc/77/71/62/724777162.db2.gz QLIKJFFYXKLIME-IBGZPJMESA-N 1 3 349.563 2.933 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853692 724778650 /nfs/dbraw/zinc/77/86/50/724778650.db2.gz QEVPLUFZVXJRHG-HNNXBMFYSA-N 1 3 346.862 2.586 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853692 724778654 /nfs/dbraw/zinc/77/86/54/724778654.db2.gz QEVPLUFZVXJRHG-HNNXBMFYSA-N 1 3 346.862 2.586 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1)N(C)C ZINC001029972556 724783738 /nfs/dbraw/zinc/78/37/38/724783738.db2.gz KTTYYGMADVOADK-QGZVFWFLSA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1)N(C)C ZINC001029972556 724783740 /nfs/dbraw/zinc/78/37/40/724783740.db2.gz KTTYYGMADVOADK-QGZVFWFLSA-N 1 3 337.533 2.759 20 0 EFADHO C[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674388 724785163 /nfs/dbraw/zinc/78/51/63/724785163.db2.gz BHERQQUJOOBZKY-LJQANCHMSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674388 724785165 /nfs/dbraw/zinc/78/51/65/724785165.db2.gz BHERQQUJOOBZKY-LJQANCHMSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675372 724785209 /nfs/dbraw/zinc/78/52/09/724785209.db2.gz RRXMLXXYFDZSAD-UHFFFAOYSA-N 1 3 346.862 2.729 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675372 724785211 /nfs/dbraw/zinc/78/52/11/724785211.db2.gz RRXMLXXYFDZSAD-UHFFFAOYSA-N 1 3 346.862 2.729 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675105 724787021 /nfs/dbraw/zinc/78/70/21/724787021.db2.gz NPPBJKNYZHRPQU-UHFFFAOYSA-N 1 3 346.862 2.729 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675105 724787025 /nfs/dbraw/zinc/78/70/25/724787025.db2.gz NPPBJKNYZHRPQU-UHFFFAOYSA-N 1 3 346.862 2.729 20 0 EFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N)n3)C[C@H]21 ZINC001165026657 721806136 /nfs/dbraw/zinc/80/61/36/721806136.db2.gz RULGHLPOQKGRTA-CGTJXYLNSA-N 1 3 337.471 2.796 20 0 EFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N)n3)C[C@H]21 ZINC001165026657 721806138 /nfs/dbraw/zinc/80/61/38/721806138.db2.gz RULGHLPOQKGRTA-CGTJXYLNSA-N 1 3 337.471 2.796 20 0 EFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001165026656 721806266 /nfs/dbraw/zinc/80/62/66/721806266.db2.gz RULGHLPOQKGRTA-BPQIPLTHSA-N 1 3 337.471 2.796 20 0 EFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001165026656 721806269 /nfs/dbraw/zinc/80/62/69/721806269.db2.gz RULGHLPOQKGRTA-BPQIPLTHSA-N 1 3 337.471 2.796 20 0 EFADHO CC[C@H](F)CN1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710387 721878394 /nfs/dbraw/zinc/87/83/94/721878394.db2.gz MCFXEXRGVVZCEA-AEFFLSMTSA-N 1 3 349.494 2.591 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1coc2ccccc21 ZINC000924964934 721918099 /nfs/dbraw/zinc/91/80/99/721918099.db2.gz MCEVMCADUVRLKD-CABCVRRESA-N 1 3 329.444 2.671 20 0 EFADHO COc1cc([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000924971288 721959510 /nfs/dbraw/zinc/95/95/10/721959510.db2.gz XFEZLUYHWSYKJA-CQSZACIVSA-N 1 3 333.432 2.517 20 0 EFADHO COc1cc([C@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)on1 ZINC000924971282 721959518 /nfs/dbraw/zinc/95/95/18/721959518.db2.gz XFEZLUYHWSYKJA-AWEZNQCLSA-N 1 3 333.432 2.517 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3cccc(Cl)c3)C2)CC1 ZINC001028779328 721982475 /nfs/dbraw/zinc/98/24/75/721982475.db2.gz ZBMMMYQERUEOSH-MRXNPFEDSA-N 1 3 349.906 2.620 20 0 EFADHO CC[C@H](F)CN1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802473 722005914 /nfs/dbraw/zinc/00/59/14/722005914.db2.gz PDWXZVPXBRFZNZ-MJGOQNOKSA-N 1 3 349.494 2.591 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028845147 722043529 /nfs/dbraw/zinc/04/35/29/722043529.db2.gz GXUITSIZBARTTE-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028845147 722043531 /nfs/dbraw/zinc/04/35/31/722043531.db2.gz GXUITSIZBARTTE-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331859 722108708 /nfs/dbraw/zinc/10/87/08/722108708.db2.gz JOZGXIXTKHTNDF-VQTJNVASSA-N 1 3 325.456 2.702 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985236 722598883 /nfs/dbraw/zinc/59/88/83/722598883.db2.gz JNIVPYAQYQYDDC-NVXWUHKLSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985236 722598884 /nfs/dbraw/zinc/59/88/84/722598884.db2.gz JNIVPYAQYQYDDC-NVXWUHKLSA-N 1 3 349.906 2.538 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC001029000758 722617052 /nfs/dbraw/zinc/61/70/52/722617052.db2.gz JEFZXFAMNUQBRM-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC001029000758 722617054 /nfs/dbraw/zinc/61/70/54/722617054.db2.gz JEFZXFAMNUQBRM-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000805 722617065 /nfs/dbraw/zinc/61/70/65/722617065.db2.gz KFEJKUNCOTZJMN-AEFFLSMTSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000805 722617067 /nfs/dbraw/zinc/61/70/67/722617067.db2.gz KFEJKUNCOTZJMN-AEFFLSMTSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H](F)CN1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001241 722618535 /nfs/dbraw/zinc/61/85/35/722618535.db2.gz SMZXEIUYLYIUAG-WBVHZDCISA-N 1 3 335.467 2.548 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001029001740 722619968 /nfs/dbraw/zinc/61/99/68/722619968.db2.gz BQICMSGAQYCWFP-WMZOPIPTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001029001740 722619969 /nfs/dbraw/zinc/61/99/69/722619969.db2.gz BQICMSGAQYCWFP-WMZOPIPTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001029002940 722621105 /nfs/dbraw/zinc/62/11/05/722621105.db2.gz FAJIOZYLDZNUBP-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001029002940 722621106 /nfs/dbraw/zinc/62/11/06/722621106.db2.gz FAJIOZYLDZNUBP-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000261959156 722631571 /nfs/dbraw/zinc/63/15/71/722631571.db2.gz GYMHZZOXNGSISJ-UHFFFAOYSA-N 1 3 332.398 2.930 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065109 722724970 /nfs/dbraw/zinc/72/49/70/722724970.db2.gz CPTMALQBIDHNHW-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001029065367 722725225 /nfs/dbraw/zinc/72/52/25/722725225.db2.gz GGOXAJKOANRSKA-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066067 722726256 /nfs/dbraw/zinc/72/62/56/722726256.db2.gz NZHHRCQSTGFALY-CRAIPNDOSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066068 722726344 /nfs/dbraw/zinc/72/63/44/722726344.db2.gz NZHHRCQSTGFALY-MAUKXSAKSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066359 722726395 /nfs/dbraw/zinc/72/63/95/722726395.db2.gz SEUVUMQVMXEVFI-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000894624935 722801354 /nfs/dbraw/zinc/80/13/54/722801354.db2.gz XMXLVSSCHRJKKM-OXQOHEQNSA-N 1 3 346.471 2.545 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000894624935 722801355 /nfs/dbraw/zinc/80/13/55/722801355.db2.gz XMXLVSSCHRJKKM-OXQOHEQNSA-N 1 3 346.471 2.545 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000894750440 722835773 /nfs/dbraw/zinc/83/57/73/722835773.db2.gz HXMMDAOHOVXGAU-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000894750440 722835774 /nfs/dbraw/zinc/83/57/74/722835774.db2.gz HXMMDAOHOVXGAU-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC000983661775 722846785 /nfs/dbraw/zinc/84/67/85/722846785.db2.gz PDUNGIAWNKWSEG-MISYRCLQSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000983662112 722846903 /nfs/dbraw/zinc/84/69/03/722846903.db2.gz QJTGIENXIVSMHJ-GUDVDZBRSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107475 722878044 /nfs/dbraw/zinc/87/80/44/722878044.db2.gz OCOXFVNDSORIBV-KDOFPFPSSA-N 1 3 349.544 2.805 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108665 722879617 /nfs/dbraw/zinc/87/96/17/722879617.db2.gz NGNZQIWRCNNBBY-OAHLLOKOSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001029111199 722883287 /nfs/dbraw/zinc/88/32/87/722883287.db2.gz CVKOJPPQGDFGEU-HNAYVOBHSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001029111607 722884998 /nfs/dbraw/zinc/88/49/98/722884998.db2.gz LEIAJLUSRRUGAD-CZUORRHYSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001029111608 722885006 /nfs/dbraw/zinc/88/50/06/722885006.db2.gz LEIAJLUSRRUGAD-XJKSGUPXSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147173 722925473 /nfs/dbraw/zinc/92/54/73/722925473.db2.gz OAZZOQKPTSKOQC-IAGOWNOFSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029147561 722925610 /nfs/dbraw/zinc/92/56/10/722925610.db2.gz WTJJNZLMQAZGDH-HZPDHXFCSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149952 722925760 /nfs/dbraw/zinc/92/57/60/722925760.db2.gz FYSUNARLWDHVKS-MRXNPFEDSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173926 722942432 /nfs/dbraw/zinc/94/24/32/722942432.db2.gz TXCYGEWRBJSTMZ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000896082873 723128724 /nfs/dbraw/zinc/12/87/24/723128724.db2.gz UOCRQHLJEVPTIK-SFHVURJKSA-N 1 3 335.492 2.581 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000896082873 723128727 /nfs/dbraw/zinc/12/87/27/723128727.db2.gz UOCRQHLJEVPTIK-SFHVURJKSA-N 1 3 335.492 2.581 20 0 EFADHO CN(CCS(=O)(=O)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000060160181 723215825 /nfs/dbraw/zinc/21/58/25/723215825.db2.gz RXPNJVGWXOKAQZ-UHFFFAOYSA-N 1 3 344.565 2.930 20 0 EFADHO CN(CCS(=O)(=O)CC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000060160181 723215829 /nfs/dbraw/zinc/21/58/29/723215829.db2.gz RXPNJVGWXOKAQZ-UHFFFAOYSA-N 1 3 344.565 2.930 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000896609237 723404746 /nfs/dbraw/zinc/40/47/46/723404746.db2.gz YILMWLIHEFHQMC-BOHSKOPMSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029375334 723477838 /nfs/dbraw/zinc/47/78/38/723477838.db2.gz LFCVRXYWDHVXNB-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029375334 723477841 /nfs/dbraw/zinc/47/78/41/723477841.db2.gz LFCVRXYWDHVXNB-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC000984800088 723494689 /nfs/dbraw/zinc/49/46/89/723494689.db2.gz MUZRPBINJYAKST-YYAJDYIMSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC000984803741 723495902 /nfs/dbraw/zinc/49/59/02/723495902.db2.gz IVSHDEHFHIUNDA-QQTQMKHKSA-N 1 3 341.499 2.500 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC000984806469 723496847 /nfs/dbraw/zinc/49/68/47/723496847.db2.gz YCIOBBOVQJAWNG-SZMVWBNQSA-N 1 3 347.478 2.603 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(F)c3)C2)C1 ZINC000984808572 723498069 /nfs/dbraw/zinc/49/80/69/723498069.db2.gz MLUAUFMADPOKBJ-SAABIXHNSA-N 1 3 347.478 2.542 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000896848994 723545517 /nfs/dbraw/zinc/54/55/17/723545517.db2.gz NSBBBBDLWRLVBR-LMMKCTJWSA-N 1 3 347.503 2.723 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000985072798 723815285 /nfs/dbraw/zinc/81/52/85/723815285.db2.gz AEAQCRIUXHMXFJ-IYARVYRRSA-N 1 3 340.471 2.508 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000985149652 723886713 /nfs/dbraw/zinc/88/67/13/723886713.db2.gz NSZFRPPTLGDHFM-SXOLKLDHSA-N 1 3 347.547 2.924 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985151548 723888097 /nfs/dbraw/zinc/88/80/97/723888097.db2.gz YYYGOWCRYLYJRU-KBAYOESNSA-N 1 3 335.536 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC000985155477 723890024 /nfs/dbraw/zinc/89/00/24/723890024.db2.gz ZUYODWLXARWCLP-IEZWGBDMSA-N 1 3 347.478 2.685 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985154774 723893251 /nfs/dbraw/zinc/89/32/51/723893251.db2.gz PUXCAZIGYREMNV-GUDVDZBRSA-N 1 3 333.520 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000985154661 723893311 /nfs/dbraw/zinc/89/33/11/723893311.db2.gz LRVSETNMTKYPPD-VAMGGRTRSA-N 1 3 343.515 2.854 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895292935 724003065 /nfs/dbraw/zinc/00/30/65/724003065.db2.gz DSQWMLKEKYBXPA-OLZOCXBDSA-N 1 3 341.883 2.996 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@H](C)[NH+](C)C ZINC000895292935 724003062 /nfs/dbraw/zinc/00/30/62/724003062.db2.gz DSQWMLKEKYBXPA-OLZOCXBDSA-N 1 3 341.883 2.996 20 0 EFADHO C[C@H](CC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000895428055 724128286 /nfs/dbraw/zinc/12/82/86/724128286.db2.gz FNVSOEANYZUDCR-QAPCUYQASA-N 1 3 327.513 2.953 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000985332431 724131384 /nfs/dbraw/zinc/13/13/84/724131384.db2.gz OHPGNWAPZKQEJX-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000985332431 724131385 /nfs/dbraw/zinc/13/13/85/724131385.db2.gz OHPGNWAPZKQEJX-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985332487 724133042 /nfs/dbraw/zinc/13/30/42/724133042.db2.gz QDDHHNONQOPGIG-LPHOPBHVSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985332487 724133043 /nfs/dbraw/zinc/13/30/43/724133043.db2.gz QDDHHNONQOPGIG-LPHOPBHVSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1)[NH+]1CCCC1 ZINC001029597964 724205643 /nfs/dbraw/zinc/20/56/43/724205643.db2.gz RMLUJYOCOGQSKC-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029671836 724359760 /nfs/dbraw/zinc/35/97/60/724359760.db2.gz CNNZDUMVSRHBLL-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029671836 724359763 /nfs/dbraw/zinc/35/97/63/724359763.db2.gz CNNZDUMVSRHBLL-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029671619 724359868 /nfs/dbraw/zinc/35/98/68/724359868.db2.gz ALJXVNPVYAHEEZ-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029671619 724359872 /nfs/dbraw/zinc/35/98/72/724359872.db2.gz ALJXVNPVYAHEEZ-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029672533 724361277 /nfs/dbraw/zinc/36/12/77/724361277.db2.gz JSBXAKJKICHDQV-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029672533 724361284 /nfs/dbraw/zinc/36/12/84/724361284.db2.gz JSBXAKJKICHDQV-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672539 724361344 /nfs/dbraw/zinc/36/13/44/724361344.db2.gz JUHRIYMQMVNDGI-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672539 724361349 /nfs/dbraw/zinc/36/13/49/724361349.db2.gz JUHRIYMQMVNDGI-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672540 724361366 /nfs/dbraw/zinc/36/13/66/724361366.db2.gz JUHRIYMQMVNDGI-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672540 724361370 /nfs/dbraw/zinc/36/13/70/724361370.db2.gz JUHRIYMQMVNDGI-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029672532 724361452 /nfs/dbraw/zinc/36/14/52/724361452.db2.gz JSBXAKJKICHDQV-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029672532 724361456 /nfs/dbraw/zinc/36/14/56/724361456.db2.gz JSBXAKJKICHDQV-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672516 724361621 /nfs/dbraw/zinc/36/16/21/724361621.db2.gz JQRUEGJGRFMCEO-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672516 724361623 /nfs/dbraw/zinc/36/16/23/724361623.db2.gz JQRUEGJGRFMCEO-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672726 724361868 /nfs/dbraw/zinc/36/18/68/724361868.db2.gz NLGSIKIZRCRGOR-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672726 724361873 /nfs/dbraw/zinc/36/18/73/724361873.db2.gz NLGSIKIZRCRGOR-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029672529 724361958 /nfs/dbraw/zinc/36/19/58/724361958.db2.gz JSBXAKJKICHDQV-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029672529 724361961 /nfs/dbraw/zinc/36/19/61/724361961.db2.gz JSBXAKJKICHDQV-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672633 724362147 /nfs/dbraw/zinc/36/21/47/724362147.db2.gz LTVDLKAHVWTDJS-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672633 724362152 /nfs/dbraw/zinc/36/21/52/724362152.db2.gz LTVDLKAHVWTDJS-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029673163 724363779 /nfs/dbraw/zinc/36/37/79/724363779.db2.gz WQBOPQSFUOGRFX-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029673163 724363783 /nfs/dbraw/zinc/36/37/83/724363783.db2.gz WQBOPQSFUOGRFX-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029674992 724366737 /nfs/dbraw/zinc/36/67/37/724366737.db2.gz JUQVAGLDKFLHIX-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029674992 724366739 /nfs/dbraw/zinc/36/67/39/724366739.db2.gz JUQVAGLDKFLHIX-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675995 724369772 /nfs/dbraw/zinc/36/97/72/724369772.db2.gz YZUDGRWPAQPEDR-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675995 724369774 /nfs/dbraw/zinc/36/97/74/724369774.db2.gz YZUDGRWPAQPEDR-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)c1 ZINC000986815257 724895287 /nfs/dbraw/zinc/89/52/87/724895287.db2.gz SIIBTKKDIUTKSO-HNAYVOBHSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986939747 724962174 /nfs/dbraw/zinc/96/21/74/724962174.db2.gz OFGDXILJOWXUDV-NVXWUHKLSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942569 724963576 /nfs/dbraw/zinc/96/35/76/724963576.db2.gz UPXGTZKFDOPHEO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001029995790 724983096 /nfs/dbraw/zinc/98/30/96/724983096.db2.gz YVYSSVRHIDFJHI-HFCFLWKCSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001029995790 724983097 /nfs/dbraw/zinc/98/30/97/724983097.db2.gz YVYSSVRHIDFJHI-HFCFLWKCSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)cc1 ZINC000986963243 724992302 /nfs/dbraw/zinc/99/23/02/724992302.db2.gz YAGBLEKAAUOWMU-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CCC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008356 725459276 /nfs/dbraw/zinc/45/92/76/725459276.db2.gz BYUAVMKMJSYEMW-ZJOUEHCJSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CCC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008356 725459278 /nfs/dbraw/zinc/45/92/78/725459278.db2.gz BYUAVMKMJSYEMW-ZJOUEHCJSA-N 1 3 345.531 2.774 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992008974 725459593 /nfs/dbraw/zinc/45/95/93/725459593.db2.gz FCHVGHVSWCQLPF-QKNQBKEWSA-N 1 3 345.531 2.940 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992008974 725459597 /nfs/dbraw/zinc/45/95/97/725459597.db2.gz FCHVGHVSWCQLPF-QKNQBKEWSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc3ccccc3c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055777 725465595 /nfs/dbraw/zinc/46/55/95/725465595.db2.gz CWRAXZPIEHANGP-QRWLVFNGSA-N 1 3 348.450 2.885 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)c(C)c1 ZINC000987060657 725471198 /nfs/dbraw/zinc/47/11/98/725471198.db2.gz VWRHRHPKHOUKCV-QFBILLFUSA-N 1 3 340.471 2.657 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064494 725474641 /nfs/dbraw/zinc/47/46/41/725474641.db2.gz GAOOWNXTPLDIQQ-QRWLVFNGSA-N 1 3 348.450 2.885 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071556 725483191 /nfs/dbraw/zinc/48/31/91/725483191.db2.gz XGPCMWRPBGCVMS-MAUKXSAKSA-N 1 3 332.492 2.892 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987122008 725523370 /nfs/dbraw/zinc/52/33/70/725523370.db2.gz BJMGNMDBINVLDH-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015052697 725599379 /nfs/dbraw/zinc/59/93/79/725599379.db2.gz NQPUIFIDONUWOH-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015052697 725599381 /nfs/dbraw/zinc/59/93/81/725599381.db2.gz NQPUIFIDONUWOH-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186762 725601490 /nfs/dbraw/zinc/60/14/90/725601490.db2.gz HCDNQZPLXDTUTM-KFKAGJAMSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186762 725601491 /nfs/dbraw/zinc/60/14/91/725601491.db2.gz HCDNQZPLXDTUTM-KFKAGJAMSA-N 1 3 339.499 2.721 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)c1 ZINC000987251447 725611890 /nfs/dbraw/zinc/61/18/90/725611890.db2.gz BWXMTNKVCMUZBR-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252035 725612443 /nfs/dbraw/zinc/61/24/43/725612443.db2.gz DAWWILOEAFWSAP-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255322 725614036 /nfs/dbraw/zinc/61/40/36/725614036.db2.gz OAPSBWMOKIJWRD-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256935 725615151 /nfs/dbraw/zinc/61/51/51/725615151.db2.gz UOWRODAZOFXSEH-ICSRJNTNSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987257416 725615717 /nfs/dbraw/zinc/61/57/17/725615717.db2.gz WRDAKFDNFAONBT-HKUYNNGSSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000324061786 725667817 /nfs/dbraw/zinc/66/78/17/725667817.db2.gz WLWCOANOOPGFJC-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992282732 725671916 /nfs/dbraw/zinc/67/19/16/725671916.db2.gz IWRBWBSKRRTDBR-YQVWRLOYSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040725488 725711382 /nfs/dbraw/zinc/71/13/82/725711382.db2.gz ARVGYSORTHEKOK-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987527916 725735859 /nfs/dbraw/zinc/73/58/59/725735859.db2.gz XSVXVYBOMYORNN-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987523856 725739134 /nfs/dbraw/zinc/73/91/34/725739134.db2.gz KRGHCKMXEFXVMA-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CN1CCCC1 ZINC000987533770 725741303 /nfs/dbraw/zinc/74/13/03/725741303.db2.gz TXFYEUKWEHWOPF-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987534206 725741658 /nfs/dbraw/zinc/74/16/58/725741658.db2.gz VUINDRLUOFAXEJ-QAPCUYQASA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569256 725759422 /nfs/dbraw/zinc/75/94/22/725759422.db2.gz WQTCUOVBEBAZAZ-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569468 725759854 /nfs/dbraw/zinc/75/98/54/725759854.db2.gz XKWSXBGWUKUZOX-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987571559 725760870 /nfs/dbraw/zinc/76/08/70/725760870.db2.gz QWLFJMWDWFMYAX-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816043 725873813 /nfs/dbraw/zinc/87/38/13/725873813.db2.gz YFUFSRDNDUMBBL-IAGOWNOFSA-N 1 3 326.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816043 725873815 /nfs/dbraw/zinc/87/38/15/725873815.db2.gz YFUFSRDNDUMBBL-IAGOWNOFSA-N 1 3 326.444 2.600 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000152022722 725908752 /nfs/dbraw/zinc/90/87/52/725908752.db2.gz CUPPYIBAPIHCLD-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040737879 725993314 /nfs/dbraw/zinc/99/33/14/725993314.db2.gz AKKOLUXEVYNIJW-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992695661 726119502 /nfs/dbraw/zinc/11/95/02/726119502.db2.gz VEFGDCRUTXOOLG-FGTMMUONSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC000992921931 726340128 /nfs/dbraw/zinc/34/01/28/726340128.db2.gz DSXCCJONZYLLCI-WDSOQIARSA-N 1 3 347.478 2.548 20 0 EFADHO C[C@]1(C[NH2+]Cc2cccc(C(N)=O)c2)CCN(Cc2ccccc2)C1 ZINC000310963558 726379069 /nfs/dbraw/zinc/37/90/69/726379069.db2.gz BXIIWFUTWXLQRC-OAQYLSRUSA-N 1 3 337.467 2.787 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084040 726864404 /nfs/dbraw/zinc/86/44/04/726864404.db2.gz LSWRRLORJNCYNA-AEFFLSMTSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084040 726864408 /nfs/dbraw/zinc/86/44/08/726864408.db2.gz LSWRRLORJNCYNA-AEFFLSMTSA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)[C@@H](CNC(=S)NCCC[NH+](C)C)c1ccsc1 ZINC000915126634 726878323 /nfs/dbraw/zinc/87/83/23/726878323.db2.gz HMSHBSZBZXIHQW-HNNXBMFYSA-N 1 3 342.578 2.547 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000915229179 726907793 /nfs/dbraw/zinc/90/77/93/726907793.db2.gz XYHIZNBSAUICBS-UHFFFAOYSA-N 1 3 331.460 2.559 20 0 EFADHO CC[NH+](CC)Cc1ccc(NC(=O)c2ccnn2CCN(C)C)cc1 ZINC000907651375 726983556 /nfs/dbraw/zinc/98/35/56/726983556.db2.gz KLZRTLCBCOIBIS-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091585 727090411 /nfs/dbraw/zinc/09/04/11/727090411.db2.gz JTHLWHIBZKDTSR-MJGOQNOKSA-N 1 3 347.503 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091585 727090413 /nfs/dbraw/zinc/09/04/13/727090413.db2.gz JTHLWHIBZKDTSR-MJGOQNOKSA-N 1 3 347.503 2.536 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000910278306 727426430 /nfs/dbraw/zinc/42/64/30/727426430.db2.gz DLVDZRPNYKWPIZ-KRWDZBQOSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994249544 727667198 /nfs/dbraw/zinc/66/71/98/727667198.db2.gz HAXAAWDVPFAGRH-PKOBYXMFSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cc1 ZINC000994252679 727675106 /nfs/dbraw/zinc/67/51/06/727675106.db2.gz MLCUXZLCHDTEPO-PKOBYXMFSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000994464471 727761053 /nfs/dbraw/zinc/76/10/53/727761053.db2.gz NWKUAPIKMOSSBO-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CC1CC1 ZINC000994464471 727761054 /nfs/dbraw/zinc/76/10/54/727761054.db2.gz NWKUAPIKMOSSBO-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCF ZINC000994484922 727767230 /nfs/dbraw/zinc/76/72/30/727767230.db2.gz JGLDMWRLSCASBD-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCF ZINC000994484922 727767232 /nfs/dbraw/zinc/76/72/32/727767232.db2.gz JGLDMWRLSCASBD-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000913099272 727781609 /nfs/dbraw/zinc/78/16/09/727781609.db2.gz LTMBDOICHZJVNQ-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000913099271 727781823 /nfs/dbraw/zinc/78/18/23/727781823.db2.gz LTMBDOICHZJVNQ-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948636 727979757 /nfs/dbraw/zinc/97/97/57/727979757.db2.gz IQCXPGVWMKUZBQ-UHFFFAOYSA-N 1 3 343.515 2.700 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000226564209 728260281 /nfs/dbraw/zinc/26/02/81/728260281.db2.gz LSYLPXDGGITGSF-CVEARBPZSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC000948767180 728368440 /nfs/dbraw/zinc/36/84/40/728368440.db2.gz RPJRVNNCJKQFPG-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC000948767180 728368442 /nfs/dbraw/zinc/36/84/42/728368442.db2.gz RPJRVNNCJKQFPG-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948772051 728379261 /nfs/dbraw/zinc/37/92/61/728379261.db2.gz RDWBNAXTHLEOOU-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948772051 728379262 /nfs/dbraw/zinc/37/92/62/728379262.db2.gz RDWBNAXTHLEOOU-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCF)CC2 ZINC001040952925 728391944 /nfs/dbraw/zinc/39/19/44/728391944.db2.gz FEDJEIJWXCYZAU-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833626 728538816 /nfs/dbraw/zinc/53/88/16/728538816.db2.gz ZCNFQQGPBBBRKE-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837018 728538859 /nfs/dbraw/zinc/53/88/59/728538859.db2.gz GEWRQUYRPISZIC-QQFBHYJXSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837018 728538860 /nfs/dbraw/zinc/53/88/60/728538860.db2.gz GEWRQUYRPISZIC-QQFBHYJXSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837018 728538862 /nfs/dbraw/zinc/53/88/62/728538862.db2.gz GEWRQUYRPISZIC-QQFBHYJXSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040848437 729090355 /nfs/dbraw/zinc/09/03/55/729090355.db2.gz IPHBKHZONYYKJQ-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CCC1CC1 ZINC000939806318 729129409 /nfs/dbraw/zinc/12/94/09/729129409.db2.gz GPHMHIIRVCHMAP-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CCC1CC1 ZINC000939806239 729129697 /nfs/dbraw/zinc/12/96/97/729129697.db2.gz DVKMMISMZUBCRQ-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC1CCC1 ZINC000939806562 729129948 /nfs/dbraw/zinc/12/99/48/729129948.db2.gz KFIUVGSXUPYOKU-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001031665566 729198892 /nfs/dbraw/zinc/19/88/92/729198892.db2.gz AOTRZMKFEXFKPI-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031665566 729198894 /nfs/dbraw/zinc/19/88/94/729198894.db2.gz AOTRZMKFEXFKPI-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665929 729200222 /nfs/dbraw/zinc/20/02/22/729200222.db2.gz JGTMSLSVBDAYGB-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665929 729200226 /nfs/dbraw/zinc/20/02/26/729200226.db2.gz JGTMSLSVBDAYGB-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000920768737 729229951 /nfs/dbraw/zinc/22/99/51/729229951.db2.gz WTNBNQZIBCMAJV-UHFFFAOYSA-N 1 3 343.515 2.987 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031715138 729497736 /nfs/dbraw/zinc/49/77/36/729497736.db2.gz QSWMCHXDIBDJOQ-IBGZPJMESA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001031713860 729498295 /nfs/dbraw/zinc/49/82/95/729498295.db2.gz GYEBMWYEHYIISP-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001031713860 729498296 /nfs/dbraw/zinc/49/82/96/729498296.db2.gz GYEBMWYEHYIISP-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001031765118 729772360 /nfs/dbraw/zinc/77/23/60/729772360.db2.gz AXBCRRJLMKCWIG-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001031765118 729772361 /nfs/dbraw/zinc/77/23/61/729772361.db2.gz AXBCRRJLMKCWIG-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031765120 729772366 /nfs/dbraw/zinc/77/23/66/729772366.db2.gz AXBCRRJLMKCWIG-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001031765120 729772367 /nfs/dbraw/zinc/77/23/67/729772367.db2.gz AXBCRRJLMKCWIG-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001569986951 1085824141 /nfs/dbraw/zinc/82/41/41/1085824141.db2.gz MMKWMFCLXKUCDZ-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F)N(C)C ZINC001570687644 1086460324 /nfs/dbraw/zinc/46/03/24/1086460324.db2.gz DNHNQSPZQJDVQD-ZDUSSCGKSA-N 1 3 339.446 2.599 20 0 EFADHO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[C@H](c1ccccc1)N(C)C ZINC001646540489 1087853448 /nfs/dbraw/zinc/85/34/48/1087853448.db2.gz MYEGKWSMBCRPPS-PSBWJHGTSA-N 1 3 346.519 2.837 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001646739857 1088197175 /nfs/dbraw/zinc/19/71/75/1088197175.db2.gz ILXYTCOLLGGXHB-WFASDCNBSA-N 1 3 341.883 2.982 20 0 EFADHO C[C@@H](C(=O)N1[C@H](C)CNC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001575061813 1088220589 /nfs/dbraw/zinc/22/05/89/1088220589.db2.gz GUJUGCWWDHPWNB-KSZLIROESA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H]3CNCC[C@H]32)CC1 ZINC001575184503 1088294148 /nfs/dbraw/zinc/29/41/48/1088294148.db2.gz VEAKFCMRHTWECP-IAGOWNOFSA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H]3CNCC[C@H]32)CC1 ZINC001575184503 1088294169 /nfs/dbraw/zinc/29/41/69/1088294169.db2.gz VEAKFCMRHTWECP-IAGOWNOFSA-N 1 3 337.508 2.707 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@@H]([NH3+])c1ccccc1 ZINC001646843657 1088357536 /nfs/dbraw/zinc/35/75/36/1088357536.db2.gz BGHRORFDVYXIMP-ZOCIIQOWSA-N 1 3 343.446 2.881 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001575423488 1088459068 /nfs/dbraw/zinc/45/90/68/1088459068.db2.gz VHDOPWASEIONJB-LNLFQRSKSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC001575423488 1088459076 /nfs/dbraw/zinc/45/90/76/1088459076.db2.gz VHDOPWASEIONJB-LNLFQRSKSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)C[C@H](NCc1cccc(C[NH3+])c1)C(=O)Nc1nccs1 ZINC001575549386 1088546826 /nfs/dbraw/zinc/54/68/26/1088546826.db2.gz MCVHJNBYWFYLMQ-HNNXBMFYSA-N 1 3 332.473 2.745 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC001575648851 1088609993 /nfs/dbraw/zinc/60/99/93/1088609993.db2.gz RDUJIOIZOYYODM-UXPWSPDFSA-N 1 3 345.531 2.992 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC001575647882 1088610032 /nfs/dbraw/zinc/61/00/32/1088610032.db2.gz AWODBUBBQIHCCC-GJYPPUQNSA-N 1 3 348.535 2.913 20 0 EFADHO C[C@H](NC(=O)c1cc2c(s1)CNCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC001576224308 1089024763 /nfs/dbraw/zinc/02/47/63/1089024763.db2.gz FLUVXTHULLXVGF-UGSOOPFHSA-N 1 3 343.496 2.815 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC001576239483 1089035814 /nfs/dbraw/zinc/03/58/14/1089035814.db2.gz NUATTYYCNZCYMJ-FXUDXRNXSA-N 1 3 325.497 2.895 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CCCC1 ZINC001647227197 1089132448 /nfs/dbraw/zinc/13/24/48/1089132448.db2.gz GKVFRCPBNHCHSO-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576597316 1089347140 /nfs/dbraw/zinc/34/71/40/1089347140.db2.gz FLRIVNOFIYGBKK-YYIAUSFCSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576597316 1089347151 /nfs/dbraw/zinc/34/71/51/1089347151.db2.gz FLRIVNOFIYGBKK-YYIAUSFCSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600020 1089348327 /nfs/dbraw/zinc/34/83/27/1089348327.db2.gz XJKCZHHSBIACFC-BZUAXINKSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600020 1089348341 /nfs/dbraw/zinc/34/83/41/1089348341.db2.gz XJKCZHHSBIACFC-BZUAXINKSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001576600206 1089349801 /nfs/dbraw/zinc/34/98/01/1089349801.db2.gz YYSPNIRHGYQUDN-QZWWFDLISA-N 1 3 339.524 2.857 20 0 EFADHO C[C@H]1C[C@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576605292 1089353093 /nfs/dbraw/zinc/35/30/93/1089353093.db2.gz KDTNHQVKVYREGL-UHOSZYNNSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623961 1089360797 /nfs/dbraw/zinc/36/07/97/1089360797.db2.gz NBFWLHQRWLPIGX-LVQVYYBASA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623961 1089360801 /nfs/dbraw/zinc/36/08/01/1089360801.db2.gz NBFWLHQRWLPIGX-LVQVYYBASA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@H]1NCc2ccccc21 ZINC001576669326 1089389045 /nfs/dbraw/zinc/38/90/45/1089389045.db2.gz PYFOVJVKWQPMNA-SZVBFZGTSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC001576700331 1089403350 /nfs/dbraw/zinc/40/33/50/1089403350.db2.gz QLYHLDXDCDNXLW-PSBWJHGTSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]CCCNC1CC1 ZINC001576724812 1089422139 /nfs/dbraw/zinc/42/21/39/1089422139.db2.gz QIWYJHCEJRIPTD-YCPHGPKFSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1NCCC[NH2+]C1CC1 ZINC001576724812 1089422145 /nfs/dbraw/zinc/42/21/45/1089422145.db2.gz QIWYJHCEJRIPTD-YCPHGPKFSA-N 1 3 325.497 2.752 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)c2ccccc2)CC1 ZINC001576729647 1089423414 /nfs/dbraw/zinc/42/34/14/1089423414.db2.gz UIPUIZVSSXFWEZ-RTBURBONSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001576752663 1089437430 /nfs/dbraw/zinc/43/74/30/1089437430.db2.gz JMZJYWLNRHMRBC-KFWWJZLASA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CN(CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC001576800256 1089465595 /nfs/dbraw/zinc/46/55/95/1089465595.db2.gz GWEXHDWCWUKXBS-ZCRFILTFSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1N ZINC001576800256 1089465611 /nfs/dbraw/zinc/46/56/11/1089465611.db2.gz GWEXHDWCWUKXBS-ZCRFILTFSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1N ZINC001576800256 1089465618 /nfs/dbraw/zinc/46/56/18/1089465618.db2.gz GWEXHDWCWUKXBS-ZCRFILTFSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001576880302 1089505608 /nfs/dbraw/zinc/50/56/08/1089505608.db2.gz QMTFZTTUIUXINO-CUSZFKRNSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001576880302 1089505612 /nfs/dbraw/zinc/50/56/12/1089505612.db2.gz QMTFZTTUIUXINO-CUSZFKRNSA-N 1 3 347.478 2.635 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001576982145 1089561950 /nfs/dbraw/zinc/56/19/50/1089561950.db2.gz SBAOFJCJIOVMIG-QRTARXTBSA-N 1 3 339.911 2.865 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccco1 ZINC001577004235 1089576741 /nfs/dbraw/zinc/57/67/41/1089576741.db2.gz SKZPLPBOQOWCEH-FRQCXROJSA-N 1 3 348.491 2.636 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12)c1ccco1 ZINC001577002164 1089577048 /nfs/dbraw/zinc/57/70/48/1089577048.db2.gz DJHJGPSTNVMDTH-DOEOUOAPSA-N 1 3 347.503 2.993 20 0 EFADHO CC[C@H](CNC(=O)NCC([NH3+])(CC)CC)N1CCc2ccccc2C1 ZINC001577085293 1089640894 /nfs/dbraw/zinc/64/08/94/1089640894.db2.gz WIMZIDIBELXKTQ-GOSISDBHSA-N 1 3 346.519 2.640 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC001577579792 1090060163 /nfs/dbraw/zinc/06/01/63/1090060163.db2.gz GRQBGWSSGASQOY-IAGOWNOFSA-N 1 3 336.476 2.751 20 0 EFADHO CCCOc1c(OC)cc(CCNC[C@@]2(C)CC[NH2+]C2)cc1OC ZINC001577579860 1090060807 /nfs/dbraw/zinc/06/08/07/1090060807.db2.gz MLNCMMXMZDWCND-LJQANCHMSA-N 1 3 336.476 2.624 20 0 EFADHO CCN(C(=O)c1cccc(CN2CCCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001577645890 1090101896 /nfs/dbraw/zinc/10/18/96/1090101896.db2.gz DJVYGCAHVXRXNS-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CCN1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001577759013 1090171582 /nfs/dbraw/zinc/17/15/82/1090171582.db2.gz DLYRQRVFJIROJD-IBGZPJMESA-N 1 3 343.515 2.689 20 0 EFADHO CCN1CCN(Cc2ccc(NCc3cccc(C[NH3+])c3)cc2)CC1 ZINC001577778286 1090178061 /nfs/dbraw/zinc/17/80/61/1090178061.db2.gz QAMLOBPKPSVSJW-UHFFFAOYSA-N 1 3 338.499 2.895 20 0 EFADHO CN(CCC1CCN(C[C@]23C[C@H]2C[NH2+]C3)CC1)C(=O)OC(C)(C)C ZINC001578463711 1090378213 /nfs/dbraw/zinc/37/82/13/1090378213.db2.gz ODRIAFHPGIXXJI-QFBILLFUSA-N 1 3 337.508 2.565 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C12CCC(CC1)[NH2+]2 ZINC001578483384 1090383606 /nfs/dbraw/zinc/38/36/06/1090383606.db2.gz WPKVEXHYLGMSGG-OBXNSHGQSA-N 1 3 341.499 2.784 20 0 EFADHO CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[C@H]1CCCN(C)C1 ZINC001578528482 1090392266 /nfs/dbraw/zinc/39/22/66/1090392266.db2.gz HBMSSKGTAKPDST-OALUTQOASA-N 1 3 340.471 2.575 20 0 EFADHO CN1CCN(c2ccc(NCC[NH2+]C(C)(C)C)c3cnccc32)CC1 ZINC001578537352 1090393588 /nfs/dbraw/zinc/39/35/88/1090393588.db2.gz SXYMSBHKQXNWSY-UHFFFAOYSA-N 1 3 341.503 2.787 20 0 EFADHO COC(=O)C1(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@]4(CN)C3)cc2)CC1 ZINC001578784909 1090442647 /nfs/dbraw/zinc/44/26/47/1090442647.db2.gz XHEQEFHJLVMPBE-ICSRJNTNSA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)C1(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@]4(CN)C3)cc2)CC1 ZINC001578784909 1090442648 /nfs/dbraw/zinc/44/26/48/1090442648.db2.gz XHEQEFHJLVMPBE-ICSRJNTNSA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)Cc1ccccc1CN1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001578820672 1090448580 /nfs/dbraw/zinc/44/85/80/1090448580.db2.gz HKYIWUVBACPMIC-SFHVURJKSA-N 1 3 330.472 2.886 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCC3(C[NH2+][C@@H]3C(C)C)CC2)c1 ZINC001578872931 1090460409 /nfs/dbraw/zinc/46/04/09/1090460409.db2.gz MYOFFWMHXYDDLB-GOSISDBHSA-N 1 3 346.471 2.692 20 0 EFADHO COC(=O)c1cccc2c(CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)ccnc12 ZINC001578878283 1090462062 /nfs/dbraw/zinc/46/20/62/1090462062.db2.gz TVBNVUWIDFSJJV-FMKPAKJESA-N 1 3 341.455 2.827 20 0 EFADHO COc1cc(Br)ccc1CCC[NH2+]CC(C)(C)CN ZINC001579138441 1090523753 /nfs/dbraw/zinc/52/37/53/1090523753.db2.gz DFRKLBACIDNEPY-UHFFFAOYSA-N 1 3 329.282 2.965 20 0 EFADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC001579150385 1090527880 /nfs/dbraw/zinc/52/78/80/1090527880.db2.gz IZZXCSZASUQDKQ-AWEZNQCLSA-N 1 3 333.476 2.721 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001579199813 1090542975 /nfs/dbraw/zinc/54/29/75/1090542975.db2.gz LMAOZPSYKRBIAG-FUHWJXTLSA-N 1 3 345.487 2.525 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001579199812 1090543270 /nfs/dbraw/zinc/54/32/70/1090543270.db2.gz LMAOZPSYKRBIAG-AEFFLSMTSA-N 1 3 345.487 2.525 20 0 EFADHO COc1ccc(CC(C)(C)[NH2+]Cc2nc3c(s2)CNCC3)cc1 ZINC001579205653 1090546705 /nfs/dbraw/zinc/54/67/05/1090546705.db2.gz FGBMEUTVQPCROX-UHFFFAOYSA-N 1 3 331.485 2.908 20 0 EFADHO COc1ccc([C@@H](C)NC2CC3(C[C@@H]3[NH3+])C2)c(Br)c1 ZINC001579237754 1090556082 /nfs/dbraw/zinc/55/60/82/1090556082.db2.gz MQMGMDLUVRENFV-AYBBVMILSA-N 1 3 325.250 2.988 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@H]2CC[C@]21C[NH3+] ZINC001579284990 1090578009 /nfs/dbraw/zinc/57/80/09/1090578009.db2.gz SZXNSKVAVNCCRU-BEFAXECRSA-N 1 3 334.460 2.676 20 0 EFADHO COc1ccccc1-c1noc([C@H](C)NC[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001579296466 1090583774 /nfs/dbraw/zinc/58/37/74/1090583774.db2.gz AFQKTPBDHOQIBW-HZSPNIEDSA-N 1 3 330.432 2.784 20 0 EFADHO Cc1cc(CN2C[C@H](C)OC3(CC[NH2+]CC3)C2)c2ccccc2n1 ZINC001579598438 1090640330 /nfs/dbraw/zinc/64/03/30/1090640330.db2.gz WEPZMPZUSLZJAD-INIZCTEOSA-N 1 3 325.456 2.886 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]CC3)N(C)C)cc1 ZINC001579667869 1090657510 /nfs/dbraw/zinc/65/75/10/1090657510.db2.gz VXRNEHMXQGWSKP-HXUWFJFHSA-N 1 3 337.467 2.673 20 0 EFADHO Cc1ccc(C[N@H+](CC(C)C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC001579691033 1090662915 /nfs/dbraw/zinc/66/29/15/1090662915.db2.gz IJRYMUYONXZWMB-LJQANCHMSA-N 1 3 345.531 2.959 20 0 EFADHO Cc1ccc(C[N@@H+](CC(C)C)C[C@H]2CCCN(C(=O)CN)C2)c(C)c1 ZINC001579691033 1090662919 /nfs/dbraw/zinc/66/29/19/1090662919.db2.gz IJRYMUYONXZWMB-LJQANCHMSA-N 1 3 345.531 2.959 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC001579761027 1090681034 /nfs/dbraw/zinc/68/10/34/1090681034.db2.gz VBTFRNDEMJTFPG-IHPCNDPISA-N 1 3 343.515 2.711 20 0 EFADHO Cc1ccccc1CN(Cc1ccccn1)C[C@H](O)C1CC[NH2+]CC1 ZINC001579800149 1090691080 /nfs/dbraw/zinc/69/10/80/1090691080.db2.gz MTIPJFYLPLGLKV-NRFANRHFSA-N 1 3 339.483 2.753 20 0 EFADHO Cc1c(C[C@@H](C[NH3+])CN(Cc2ccccc2C)C2CC2)cnn1C ZINC001579799815 1090691179 /nfs/dbraw/zinc/69/11/79/1090691179.db2.gz AQJIRDXXHPFPAF-KRWDZBQOSA-N 1 3 326.488 2.819 20 0 EFADHO Cc1ccccc1O[C@@H](C)CNCc1ccc(N2CC[NH2+]CC2)o1 ZINC001579805530 1090692632 /nfs/dbraw/zinc/69/26/32/1090692632.db2.gz UEBCLNQMCBSFDI-INIZCTEOSA-N 1 3 329.444 2.555 20 0 EFADHO Clc1nc(N2CCCC2)sc1CNCCC1=CC[NH2+]CC1 ZINC001579939805 1090728766 /nfs/dbraw/zinc/72/87/66/1090728766.db2.gz BXXGAHRWKQPQAT-UHFFFAOYSA-N 1 3 326.897 2.796 20 0 EFADHO Cn1nc2c(c1CN[C@@H](CCC[NH3+])c1ccccc1)CSCC2 ZINC001579998837 1090740425 /nfs/dbraw/zinc/74/04/25/1090740425.db2.gz XBYKZFYKWURYET-INIZCTEOSA-N 1 3 330.501 2.779 20 0 EFADHO FC(F)(F)COc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC001580018971 1090743783 /nfs/dbraw/zinc/74/37/83/1090743783.db2.gz PUZXPYZHUXATPX-HNNXBMFYSA-N 1 3 343.393 2.844 20 0 EFADHO FC(F)(F)c1ccccc1N1CC[C@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC001580022032 1090745029 /nfs/dbraw/zinc/74/50/29/1090745029.db2.gz ZGKAKZWXBJKQMU-KGLIPLIRSA-N 1 3 327.394 2.873 20 0 EFADHO FC(F)Sc1ccc(CN2CCC(OC3C[NH2+]C3)CC2)cc1 ZINC001580024299 1090745085 /nfs/dbraw/zinc/74/50/85/1090745085.db2.gz UZXCSMSSFCWUSC-UHFFFAOYSA-N 1 3 328.428 2.954 20 0 EFADHO [NH3+]C[C@@]12CN([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@H]1CCCC2 ZINC001580255164 1090835056 /nfs/dbraw/zinc/83/50/56/1090835056.db2.gz HVIJLCNHBJFNIO-FNHZYXHNSA-N 1 3 347.890 2.896 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001580261897 1090839471 /nfs/dbraw/zinc/83/94/71/1090839471.db2.gz MOYHHTGATHZSIW-YTQUADARSA-N 1 3 329.488 2.677 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001580261897 1090839478 /nfs/dbraw/zinc/83/94/78/1090839478.db2.gz MOYHHTGATHZSIW-YTQUADARSA-N 1 3 329.488 2.677 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001580261894 1090839547 /nfs/dbraw/zinc/83/95/47/1090839547.db2.gz MOYHHTGATHZSIW-QXAKKESOSA-N 1 3 329.488 2.677 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC001580261894 1090839552 /nfs/dbraw/zinc/83/95/52/1090839552.db2.gz MOYHHTGATHZSIW-QXAKKESOSA-N 1 3 329.488 2.677 20 0 EFADHO O=C([C@@H]1C[C@]12CCC[NH2+]C2)N(CCN1CCCC1)c1ccccc1 ZINC001580479782 1090913771 /nfs/dbraw/zinc/91/37/71/1090913771.db2.gz XOVLYZOEBOMBQD-ICSRJNTNSA-N 1 3 327.472 2.505 20 0 EFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580672547 1090981997 /nfs/dbraw/zinc/98/19/97/1090981997.db2.gz FTRYQRHELIUNOH-VQTJNVASSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001580672547 1090982000 /nfs/dbraw/zinc/98/20/00/1090982000.db2.gz FTRYQRHELIUNOH-VQTJNVASSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(OCc1ccccc1)N1CCC[C@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC001580802594 1091014816 /nfs/dbraw/zinc/01/48/16/1091014816.db2.gz BVAGTSJJSKVMLG-MSOLQXFVSA-N 1 3 331.460 2.519 20 0 EFADHO O=C1COc2ccc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)cc2N1 ZINC001580850062 1091027197 /nfs/dbraw/zinc/02/71/97/1091027197.db2.gz OKOQYAPMQHBVBN-MRXNPFEDSA-N 1 3 343.471 2.619 20 0 EFADHO c1ccc(CCN(Cc2cccnc2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001580893221 1091037901 /nfs/dbraw/zinc/03/79/01/1091037901.db2.gz XYGKAJKJQNTAOL-FQEVSTJZSA-N 1 3 337.467 2.647 20 0 EFADHO CC[C@H](F)C[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1 ZINC001115601651 1092657576 /nfs/dbraw/zinc/65/75/76/1092657576.db2.gz LWTCDXQIJUIJLR-HNNXBMFYSA-N 1 3 329.504 2.874 20 0 EFADHO COc1ccc(CN2CCCC3(CC[NH2+]CC3)C2)c(OC)c1OC ZINC001649849929 1092738113 /nfs/dbraw/zinc/73/81/13/1092738113.db2.gz OMARJXGJCVHRHP-UHFFFAOYSA-N 1 3 334.460 2.678 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006440 1092874466 /nfs/dbraw/zinc/87/44/66/1092874466.db2.gz HBRFBWIXONXGEF-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006440 1092874474 /nfs/dbraw/zinc/87/44/74/1092874474.db2.gz HBRFBWIXONXGEF-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075449912 1092875121 /nfs/dbraw/zinc/87/51/21/1092875121.db2.gz VPLFLGQEWWRRAW-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075449912 1092875131 /nfs/dbraw/zinc/87/51/31/1092875131.db2.gz VPLFLGQEWWRRAW-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001087213628 1092888642 /nfs/dbraw/zinc/88/86/42/1092888642.db2.gz DXWPREFEDUBYTO-MNEFBYGVSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087219602 1092972197 /nfs/dbraw/zinc/97/21/97/1092972197.db2.gz FQMOALUCQPTAHK-PBHICJAKSA-N 1 3 332.492 2.605 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158176 1092986817 /nfs/dbraw/zinc/98/68/17/1092986817.db2.gz HTJCYJHEJXXOAR-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158176 1092986826 /nfs/dbraw/zinc/98/68/26/1092986826.db2.gz HTJCYJHEJXXOAR-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158176 1092986838 /nfs/dbraw/zinc/98/68/38/1092986838.db2.gz HTJCYJHEJXXOAR-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098219561 1093001593 /nfs/dbraw/zinc/00/15/93/1093001593.db2.gz KBXJUZMNZXXSPW-NBYUQASBSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001098219561 1093001598 /nfs/dbraw/zinc/00/15/98/1093001598.db2.gz KBXJUZMNZXXSPW-NBYUQASBSA-N 1 3 341.499 2.558 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453743 1093038748 /nfs/dbraw/zinc/03/87/48/1093038748.db2.gz AFBFHCZLBZMKRI-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453743 1093038752 /nfs/dbraw/zinc/03/87/52/1093038752.db2.gz AFBFHCZLBZMKRI-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001167627589 1093147298 /nfs/dbraw/zinc/14/72/98/1093147298.db2.gz QARFIVYNBDOXMQ-LJQANCHMSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627542 1093147447 /nfs/dbraw/zinc/14/74/47/1093147447.db2.gz PFPHDICRPBHGKH-LJQANCHMSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001167627201 1093150067 /nfs/dbraw/zinc/15/00/67/1093150067.db2.gz LWOGWBKPNPRICQ-IBGZPJMESA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001167628228 1093150919 /nfs/dbraw/zinc/15/09/19/1093150919.db2.gz XPZOHSLBUQMSFJ-GOSISDBHSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001167628232 1093151411 /nfs/dbraw/zinc/15/14/11/1093151411.db2.gz XPZOHSLBUQMSFJ-SFHVURJKSA-N 1 3 335.467 2.685 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075459100 1093241541 /nfs/dbraw/zinc/24/15/41/1093241541.db2.gz YLJLRSHICIEUCH-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075459100 1093241548 /nfs/dbraw/zinc/24/15/48/1093241548.db2.gz YLJLRSHICIEUCH-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001590047458 1093243251 /nfs/dbraw/zinc/24/32/51/1093243251.db2.gz SVYHYUBZGFTZCG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001590047458 1093243257 /nfs/dbraw/zinc/24/32/57/1093243257.db2.gz SVYHYUBZGFTZCG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590727596 1093557814 /nfs/dbraw/zinc/55/78/14/1093557814.db2.gz MCAAVSGPEPEOPG-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590727596 1093557820 /nfs/dbraw/zinc/55/78/20/1093557820.db2.gz MCAAVSGPEPEOPG-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@H+](CC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590727596 1093557827 /nfs/dbraw/zinc/55/78/27/1093557827.db2.gz MCAAVSGPEPEOPG-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@@H+](CC1CC[NH+](CC)CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590727596 1093557831 /nfs/dbraw/zinc/55/78/31/1093557831.db2.gz MCAAVSGPEPEOPG-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO C[N@H+](CCCC[NH+]1CCCCC1)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001591065930 1093658224 /nfs/dbraw/zinc/65/82/24/1093658224.db2.gz YTIFFXUNYNNSMP-UHFFFAOYSA-N 1 3 342.491 2.607 20 0 EFADHO C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001591065930 1093658228 /nfs/dbraw/zinc/65/82/28/1093658228.db2.gz YTIFFXUNYNNSMP-UHFFFAOYSA-N 1 3 342.491 2.607 20 0 EFADHO C[N@H+](CCCC[NH+]1CCCCC1)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001591065930 1093658230 /nfs/dbraw/zinc/65/82/30/1093658230.db2.gz YTIFFXUNYNNSMP-UHFFFAOYSA-N 1 3 342.491 2.607 20 0 EFADHO C[N@@H+](CCCC[NH+]1CCCCC1)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001591065930 1093658233 /nfs/dbraw/zinc/65/82/33/1093658233.db2.gz YTIFFXUNYNNSMP-UHFFFAOYSA-N 1 3 342.491 2.607 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)C2CC[NH+](CC3CC3)CC2)c1 ZINC001480934551 1094302377 /nfs/dbraw/zinc/30/23/77/1094302377.db2.gz NNOBLJOWHNWPCK-UHFFFAOYSA-N 1 3 343.515 2.665 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1c1ccccc1 ZINC001211616096 1094311037 /nfs/dbraw/zinc/31/10/37/1094311037.db2.gz WMXJSTXTJQSZTN-RBUKOAKNSA-N 1 3 343.515 2.855 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001481108328 1094585713 /nfs/dbraw/zinc/58/57/13/1094585713.db2.gz USNNRQDNSAFDOY-OAHLLOKOSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001104676277 1094589048 /nfs/dbraw/zinc/58/90/48/1094589048.db2.gz COEBSRYLPPFGHW-QWFCFKBJSA-N 1 3 343.515 2.745 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676826 1094592815 /nfs/dbraw/zinc/59/28/15/1094592815.db2.gz ZNMUBPKCQFAYFR-UWCDRFHNSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001104676692 1094592855 /nfs/dbraw/zinc/59/28/55/1094592855.db2.gz UKZHXYSBEMTJEX-ZHALLVOQSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCCCC3)C2)C1 ZINC001104681081 1094612257 /nfs/dbraw/zinc/61/22/57/1094612257.db2.gz CVGNJCHSUHKACG-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682444 1094628110 /nfs/dbraw/zinc/62/81/10/1094628110.db2.gz QFCURVJAUONNEZ-IXDOHACOSA-N 1 3 343.531 2.787 20 0 EFADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684112 1094630949 /nfs/dbraw/zinc/63/09/49/1094630949.db2.gz XVRYNIBYIWNEEQ-ZACQAIPSSA-N 1 3 341.515 2.541 20 0 EFADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684075 1094631145 /nfs/dbraw/zinc/63/11/45/1094631145.db2.gz XCYBQWCDINIENH-KZNAEPCWSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001481460074 1094669845 /nfs/dbraw/zinc/66/98/45/1094669845.db2.gz UYNYNFRHOSPTJX-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001481460074 1094669854 /nfs/dbraw/zinc/66/98/54/1094669854.db2.gz UYNYNFRHOSPTJX-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1cc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cs1 ZINC001104729050 1094763794 /nfs/dbraw/zinc/76/37/94/1094763794.db2.gz NSXKXNFSXWITIV-CZUORRHYSA-N 1 3 346.500 2.597 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001481498337 1094943732 /nfs/dbraw/zinc/94/37/32/1094943732.db2.gz PBOZMQRVEOFKNU-ODEHLZOCSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001481498337 1094943738 /nfs/dbraw/zinc/94/37/38/1094943738.db2.gz PBOZMQRVEOFKNU-ODEHLZOCSA-N 1 3 343.515 2.820 20 0 EFADHO CCCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(F)cc1 ZINC001481141277 1094955079 /nfs/dbraw/zinc/95/50/79/1094955079.db2.gz MVHQNONSRPHPAN-UHFFFAOYSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC001087428591 1094960040 /nfs/dbraw/zinc/96/00/40/1094960040.db2.gz NVPRVBRTJCKVST-IYWMVGAKSA-N 1 3 343.515 2.711 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC)CC[C@@H]2c2ccccc2)CC[N@H+]1C ZINC001087428591 1094960051 /nfs/dbraw/zinc/96/00/51/1094960051.db2.gz NVPRVBRTJCKVST-IYWMVGAKSA-N 1 3 343.515 2.711 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(F)ccc1C ZINC001481147623 1094977571 /nfs/dbraw/zinc/97/75/71/1094977571.db2.gz HHWVSIHPCUGVQJ-INIZCTEOSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cc(F)ccc1C ZINC001481147623 1094977581 /nfs/dbraw/zinc/97/75/81/1094977581.db2.gz HHWVSIHPCUGVQJ-INIZCTEOSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CC(F)(F)C1 ZINC001481155396 1095027783 /nfs/dbraw/zinc/02/77/83/1095027783.db2.gz YNZKWKBNXAMUSU-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@H]1CCCCN1CC)CC1CC(F)(F)C1 ZINC001481155396 1095027799 /nfs/dbraw/zinc/02/77/99/1095027799.db2.gz YNZKWKBNXAMUSU-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001167815654 1095103042 /nfs/dbraw/zinc/10/30/42/1095103042.db2.gz XACZWKHXBZINMG-LJQANCHMSA-N 1 3 343.515 2.892 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531848 1095106188 /nfs/dbraw/zinc/10/61/88/1095106188.db2.gz UBVBSUTWMVDIEW-FBMVRSEGSA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531849 1095106560 /nfs/dbraw/zinc/10/65/60/1095106560.db2.gz UBVBSUTWMVDIEW-YBDVPCCLSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C2CC2)cc1 ZINC001481169744 1095107931 /nfs/dbraw/zinc/10/79/31/1095107931.db2.gz XFUMVGWUXOKPOK-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C2CC2)cc1 ZINC001481169744 1095107939 /nfs/dbraw/zinc/10/79/39/1095107939.db2.gz XFUMVGWUXOKPOK-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001481172587 1095116880 /nfs/dbraw/zinc/11/68/80/1095116880.db2.gz HLEBIVXJBPUIGT-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001481172587 1095116882 /nfs/dbraw/zinc/11/68/82/1095116882.db2.gz HLEBIVXJBPUIGT-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccc(OC)cn2)CC1 ZINC001167834412 1095291370 /nfs/dbraw/zinc/29/13/70/1095291370.db2.gz JORBVEJUKDPJBX-QGZVFWFLSA-N 1 3 334.508 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC(C)C)[C@H]2C1(C)C ZINC001087316193 1095297526 /nfs/dbraw/zinc/29/75/26/1095297526.db2.gz OVUMEOCQRYUUDA-ATZDWAIDSA-N 1 3 346.519 2.912 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC(C)C)[C@H]2C1(C)C ZINC001087316193 1095297531 /nfs/dbraw/zinc/29/75/31/1095297531.db2.gz OVUMEOCQRYUUDA-ATZDWAIDSA-N 1 3 346.519 2.912 20 0 EFADHO CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@@H]21 ZINC001087318535 1095330222 /nfs/dbraw/zinc/33/02/22/1095330222.db2.gz ZCDJQUXMUWVOPV-GUDVDZBRSA-N 1 3 343.515 2.987 20 0 EFADHO CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@@H]21 ZINC001087318535 1095330233 /nfs/dbraw/zinc/33/02/33/1095330233.db2.gz ZCDJQUXMUWVOPV-GUDVDZBRSA-N 1 3 343.515 2.987 20 0 EFADHO CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@H]21 ZINC001087318537 1095330763 /nfs/dbraw/zinc/33/07/63/1095330763.db2.gz ZCDJQUXMUWVOPV-QYZOEREBSA-N 1 3 343.515 2.987 20 0 EFADHO CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3cccc(CN(C)C)c3)C(C)(C)[C@H]21 ZINC001087318537 1095330780 /nfs/dbraw/zinc/33/07/80/1095330780.db2.gz ZCDJQUXMUWVOPV-QYZOEREBSA-N 1 3 343.515 2.987 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2nccc(Cl)n2)CC1 ZINC001167837159 1095340527 /nfs/dbraw/zinc/34/05/27/1095340527.db2.gz IPKXKQDPWQBVOM-HNNXBMFYSA-N 1 3 339.915 2.763 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000981957615 1095774053 /nfs/dbraw/zinc/77/40/53/1095774053.db2.gz NODSUPREDAQGAD-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC000981957615 1095774063 /nfs/dbraw/zinc/77/40/63/1095774063.db2.gz NODSUPREDAQGAD-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@@H+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000981957617 1095775856 /nfs/dbraw/zinc/77/58/56/1095775856.db2.gz NODSUPREDAQGAD-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[N@H+]([C@H]3CCc4ccccc43)CC2)C1 ZINC000981957617 1095775865 /nfs/dbraw/zinc/77/58/65/1095775865.db2.gz NODSUPREDAQGAD-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO c1nc2ccccn2c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001203144217 1096052956 /nfs/dbraw/zinc/05/29/56/1096052956.db2.gz DGAAURCUNUYXTO-UHFFFAOYSA-N 1 3 342.487 2.659 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1cccc(Cl)c1 ZINC001207422187 1096088068 /nfs/dbraw/zinc/08/80/68/1096088068.db2.gz BONQNKQHIONGOY-UHFFFAOYSA-N 1 3 326.868 2.699 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1cccc(Cl)c1 ZINC001207422187 1096088083 /nfs/dbraw/zinc/08/80/83/1096088083.db2.gz BONQNKQHIONGOY-UHFFFAOYSA-N 1 3 326.868 2.699 20 0 EFADHO CC[C@@H](C(=O)NCC1CN([C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001481645721 1096152999 /nfs/dbraw/zinc/15/29/99/1096152999.db2.gz WFENUJUDJHYSTG-APWZRJJASA-N 1 3 331.504 2.916 20 0 EFADHO CC[C@@H](C(=O)NCC1CN([C@@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001481645722 1096153953 /nfs/dbraw/zinc/15/39/53/1096153953.db2.gz WFENUJUDJHYSTG-LPHOPBHVSA-N 1 3 331.504 2.916 20 0 EFADHO CC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481678769 1096300508 /nfs/dbraw/zinc/30/05/08/1096300508.db2.gz YDXFKKWXTMQSFY-FHWLQOOXSA-N 1 3 329.488 2.765 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167900610 1096333307 /nfs/dbraw/zinc/33/33/07/1096333307.db2.gz LVJXZYWNDXQVDV-UHFFFAOYSA-N 1 3 330.476 2.637 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481705935 1096347982 /nfs/dbraw/zinc/34/79/82/1096347982.db2.gz BJTWBDCUJUJXEJ-CEXWTWQISA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481705935 1096347990 /nfs/dbraw/zinc/34/79/90/1096347990.db2.gz BJTWBDCUJUJXEJ-CEXWTWQISA-N 1 3 331.504 2.914 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603648747 1096575956 /nfs/dbraw/zinc/57/59/56/1096575956.db2.gz AKDIELYMIXQIFN-IMUUDWKMSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603648747 1096575961 /nfs/dbraw/zinc/57/59/61/1096575961.db2.gz AKDIELYMIXQIFN-IMUUDWKMSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603651355 1096577805 /nfs/dbraw/zinc/57/78/05/1096577805.db2.gz QTDHYHARMGZFBU-LMWSTFAQSA-N 1 3 332.427 2.529 20 0 EFADHO C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603651355 1096577812 /nfs/dbraw/zinc/57/78/12/1096577812.db2.gz QTDHYHARMGZFBU-LMWSTFAQSA-N 1 3 332.427 2.529 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603656484 1096579969 /nfs/dbraw/zinc/57/99/69/1096579969.db2.gz IXTVXOZKSHEBPS-AWEZNQCLSA-N 1 3 349.442 2.581 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603656484 1096579977 /nfs/dbraw/zinc/57/99/77/1096579977.db2.gz IXTVXOZKSHEBPS-AWEZNQCLSA-N 1 3 349.442 2.581 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730323 1096608750 /nfs/dbraw/zinc/60/87/50/1096608750.db2.gz WPADEWBRDOYUPM-VQTJNVASSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603896296 1096663614 /nfs/dbraw/zinc/66/36/14/1096663614.db2.gz PMNXICYZICMELT-OAHLLOKOSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603896296 1096663618 /nfs/dbraw/zinc/66/36/18/1096663618.db2.gz PMNXICYZICMELT-OAHLLOKOSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603896296 1096663622 /nfs/dbraw/zinc/66/36/22/1096663622.db2.gz PMNXICYZICMELT-OAHLLOKOSA-N 1 3 328.464 2.611 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603896296 1096663626 /nfs/dbraw/zinc/66/36/26/1096663626.db2.gz PMNXICYZICMELT-OAHLLOKOSA-N 1 3 328.464 2.611 20 0 EFADHO C[N@H+](CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001604741948 1096946280 /nfs/dbraw/zinc/94/62/80/1096946280.db2.gz VCMLVSGXGAQDAV-SFHVURJKSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@@H+](CCCC[NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001604741948 1096946283 /nfs/dbraw/zinc/94/62/83/1096946283.db2.gz VCMLVSGXGAQDAV-SFHVURJKSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@H+](CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001604741948 1096946289 /nfs/dbraw/zinc/94/62/89/1096946289.db2.gz VCMLVSGXGAQDAV-SFHVURJKSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@@H+](CCCC[NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001604741948 1096946294 /nfs/dbraw/zinc/94/62/94/1096946294.db2.gz VCMLVSGXGAQDAV-SFHVURJKSA-N 1 3 340.475 2.708 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C/Cl)CC2)CC1 ZINC001482021748 1097101297 /nfs/dbraw/zinc/10/12/97/1097101297.db2.gz AZBIUSIWBSCBGJ-GOTXVSDISA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001482101971 1097263291 /nfs/dbraw/zinc/26/32/91/1097263291.db2.gz QDXLRGMUOCEHTN-AWEZNQCLSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001482107017 1097267186 /nfs/dbraw/zinc/26/71/86/1097267186.db2.gz FFSGLOJBZFKKFV-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609122667 1098154860 /nfs/dbraw/zinc/15/48/60/1098154860.db2.gz LPVYWZOMQZBAQW-KBXCAEBGSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609122667 1098154866 /nfs/dbraw/zinc/15/48/66/1098154866.db2.gz LPVYWZOMQZBAQW-KBXCAEBGSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609154344 1098172330 /nfs/dbraw/zinc/17/23/30/1098172330.db2.gz MMAABDQPHOSKFW-HOTGVXAUSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609154344 1098172333 /nfs/dbraw/zinc/17/23/33/1098172333.db2.gz MMAABDQPHOSKFW-HOTGVXAUSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167751529 1098807028 /nfs/dbraw/zinc/80/70/28/1098807028.db2.gz JPVRTQDQXLDERV-AEFFLSMTSA-N 1 3 343.519 2.962 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNc1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167751529 1098807045 /nfs/dbraw/zinc/80/70/45/1098807045.db2.gz JPVRTQDQXLDERV-AEFFLSMTSA-N 1 3 343.519 2.962 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104939144 1099093899 /nfs/dbraw/zinc/09/38/99/1099093899.db2.gz JHTGKJAJRQIWEI-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001482293432 1099156273 /nfs/dbraw/zinc/15/62/73/1099156273.db2.gz VVKMVEGLWFONNJ-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C\Cl)C1 ZINC001211663986 1099293389 /nfs/dbraw/zinc/29/33/89/1099293389.db2.gz KPIYUPSHYFXOIW-MQSXSKFUSA-N 1 3 349.906 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001481339033 1099369107 /nfs/dbraw/zinc/36/91/07/1099369107.db2.gz GXFSGXOTQMULCD-MRXNPFEDSA-N 1 3 349.494 2.884 20 0 EFADHO CCC(=O)N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167978180 1099400331 /nfs/dbraw/zinc/40/03/31/1099400331.db2.gz LPCOCHZMFUULFJ-GSWHEVMTSA-N 1 3 333.520 2.819 20 0 EFADHO COC(=O)C12CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)(CC1)C2 ZINC001167982047 1099406880 /nfs/dbraw/zinc/40/68/80/1099406880.db2.gz UPNMVXUKBIWDKR-IXHKABCMSA-N 1 3 332.488 2.857 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001105064473 1099526813 /nfs/dbraw/zinc/52/68/13/1099526813.db2.gz QJIQWYPXNFQUTK-IEBWSBKVSA-N 1 3 335.536 2.901 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001105067375 1099541683 /nfs/dbraw/zinc/54/16/83/1099541683.db2.gz YAASXDSTYPNCGE-QRVBRYPASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001105067377 1099542074 /nfs/dbraw/zinc/54/20/74/1099542074.db2.gz YBTPJPJTWHWFHD-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001105067315 1099542863 /nfs/dbraw/zinc/54/28/63/1099542863.db2.gz WRVXRAJIOXOJMS-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1c1ccccc1 ZINC001211673344 1099604717 /nfs/dbraw/zinc/60/47/17/1099604717.db2.gz DFYXDEXHBZUFKD-YSIASYRMSA-N 1 3 343.515 2.855 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001482342726 1099700076 /nfs/dbraw/zinc/70/00/76/1099700076.db2.gz CZYLWVWTBWLZHI-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994838 1099757412 /nfs/dbraw/zinc/75/74/12/1099757412.db2.gz QRIYRSGFBDWBJB-JWTNVVGKSA-N 1 3 333.520 2.615 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994838 1099757423 /nfs/dbraw/zinc/75/74/23/1099757423.db2.gz QRIYRSGFBDWBJB-JWTNVVGKSA-N 1 3 333.520 2.615 20 0 EFADHO C[NH+](C)CCCOc1ccc(N(C(=N)N)c2ccc(F)cc2)cn1 ZINC001167994279 1099759507 /nfs/dbraw/zinc/75/95/07/1099759507.db2.gz GJJNHRTUQWRLFE-UHFFFAOYSA-N 1 3 331.395 2.583 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC2CCC2)C1 ZINC001112536224 1099833399 /nfs/dbraw/zinc/83/33/99/1099833399.db2.gz XWLJDNCRTUDCFW-PXNSSMCTSA-N 1 3 344.503 2.751 20 0 EFADHO O=C([C@@H]1CCN1C1CCCCC1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001270915888 1100260685 /nfs/dbraw/zinc/26/06/85/1100260685.db2.gz KGBVWUALINIHEO-IBGZPJMESA-N 1 3 345.531 2.870 20 0 EFADHO O=C([C@@H]1CCN1C1CCCCC1)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001270915888 1100260688 /nfs/dbraw/zinc/26/06/88/1100260688.db2.gz KGBVWUALINIHEO-IBGZPJMESA-N 1 3 345.531 2.870 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915798 1100263309 /nfs/dbraw/zinc/26/33/09/1100263309.db2.gz IADHVGUTMFYHMB-ICSRJNTNSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915798 1100263316 /nfs/dbraw/zinc/26/33/16/1100263316.db2.gz IADHVGUTMFYHMB-ICSRJNTNSA-N 1 3 333.520 2.728 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccsc1 ZINC001087578483 1100549489 /nfs/dbraw/zinc/54/94/89/1100549489.db2.gz YCGOHOOQCDOBND-MXASKKJJSA-N 1 3 335.517 2.557 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccsc1 ZINC001087578483 1100549496 /nfs/dbraw/zinc/54/94/96/1100549496.db2.gz YCGOHOOQCDOBND-MXASKKJJSA-N 1 3 335.517 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395584 1100555080 /nfs/dbraw/zinc/55/50/80/1100555080.db2.gz AJNJSCALNPKEEO-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395584 1100555084 /nfs/dbraw/zinc/55/50/84/1100555084.db2.gz AJNJSCALNPKEEO-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CC([NH2+]C[C@@H](O)C(F)(F)F)C[C@@H](C)N1Cc1ccccc1 ZINC001168019407 1100628775 /nfs/dbraw/zinc/62/87/75/1100628775.db2.gz IRHCNHIXPWZUEE-XJKCOSOUSA-N 1 3 330.394 2.941 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001087671698 1100652950 /nfs/dbraw/zinc/65/29/50/1100652950.db2.gz LQDZFLGXJJLTHA-OTWHNJEPSA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC=C(C)C ZINC001087671698 1100652953 /nfs/dbraw/zinc/65/29/53/1100652953.db2.gz LQDZFLGXJJLTHA-OTWHNJEPSA-N 1 3 333.520 2.796 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482470924 1100855745 /nfs/dbraw/zinc/85/57/45/1100855745.db2.gz IDLZBMBDLFCYJH-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1CC(N2CCO[C@@H](CN(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039283 1101081525 /nfs/dbraw/zinc/08/15/25/1101081525.db2.gz CSKTYKRYGQQARE-OPYAIIAOSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC(=O)N2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039677 1101083744 /nfs/dbraw/zinc/08/37/44/1101083744.db2.gz HDHYGUJNHOLWHY-NBMJBFSESA-N 1 3 329.488 2.686 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2CCCC(=O)N2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039677 1101083750 /nfs/dbraw/zinc/08/37/50/1101083750.db2.gz HDHYGUJNHOLWHY-NBMJBFSESA-N 1 3 329.488 2.686 20 0 EFADHO CO[C@@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1OC ZINC001168039849 1101088955 /nfs/dbraw/zinc/08/89/55/1101088955.db2.gz IARWZVUYJOGYTO-LZKBNWESSA-N 1 3 332.488 2.774 20 0 EFADHO CO[C@@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1OC ZINC001168039849 1101088965 /nfs/dbraw/zinc/08/89/65/1101088965.db2.gz IARWZVUYJOGYTO-LZKBNWESSA-N 1 3 332.488 2.774 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966423 1101095251 /nfs/dbraw/zinc/09/52/51/1101095251.db2.gz BKNGAXIPUPNUAB-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966423 1101095254 /nfs/dbraw/zinc/09/52/54/1101095254.db2.gz BKNGAXIPUPNUAB-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993122 1101166644 /nfs/dbraw/zinc/16/66/44/1101166644.db2.gz AJPMYCLGHCWJEZ-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993122 1101166650 /nfs/dbraw/zinc/16/66/50/1101166650.db2.gz AJPMYCLGHCWJEZ-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993290 1101167309 /nfs/dbraw/zinc/16/73/09/1101167309.db2.gz JLCQHORJDNMCRS-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993290 1101167311 /nfs/dbraw/zinc/16/73/11/1101167311.db2.gz JLCQHORJDNMCRS-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001087994880 1101169274 /nfs/dbraw/zinc/16/92/74/1101169274.db2.gz INKHXRMZTOCCST-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CCC1 ZINC001087994880 1101169276 /nfs/dbraw/zinc/16/92/76/1101169276.db2.gz INKHXRMZTOCCST-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088002871 1101178498 /nfs/dbraw/zinc/17/84/98/1101178498.db2.gz WTNSLQJJACOIIM-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088002871 1101178503 /nfs/dbraw/zinc/17/85/03/1101178503.db2.gz WTNSLQJJACOIIM-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088002745 1101179135 /nfs/dbraw/zinc/17/91/35/1101179135.db2.gz RFXYCRODQLKVNZ-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088002745 1101179138 /nfs/dbraw/zinc/17/91/38/1101179138.db2.gz RFXYCRODQLKVNZ-AABGKKOBSA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002870 1101179219 /nfs/dbraw/zinc/17/92/19/1101179219.db2.gz WTNKBRCFVIJUDH-QYZOEREBSA-N 1 3 337.552 2.789 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088002870 1101179220 /nfs/dbraw/zinc/17/92/20/1101179220.db2.gz WTNKBRCFVIJUDH-QYZOEREBSA-N 1 3 337.552 2.789 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214168 1101289988 /nfs/dbraw/zinc/28/99/88/1101289988.db2.gz NXGYINXIHCIYIG-FXAWDEMLSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214168 1101289992 /nfs/dbraw/zinc/28/99/92/1101289992.db2.gz NXGYINXIHCIYIG-FXAWDEMLSA-N 1 3 333.520 2.728 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)C12CC[NH+](CC1)CC2 ZINC001271290432 1101341832 /nfs/dbraw/zinc/34/18/32/1101341832.db2.gz NIWXXIVDRIWDLN-GBESFXJTSA-N 1 3 347.547 2.974 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC3)[C@@H](C)C2)CC1 ZINC001075344010 1101357696 /nfs/dbraw/zinc/35/76/96/1101357696.db2.gz IANWEJONUWRWBL-PKOBYXMFSA-N 1 3 335.536 2.593 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001075344009 1101358036 /nfs/dbraw/zinc/35/80/36/1101358036.db2.gz IANWEJONUWRWBL-MJGOQNOKSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088095584 1101508507 /nfs/dbraw/zinc/50/85/07/1101508507.db2.gz WTNSLQJJACOIIM-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088095584 1101508520 /nfs/dbraw/zinc/50/85/20/1101508520.db2.gz WTNSLQJJACOIIM-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)CC1 ZINC000067671579 1101550721 /nfs/dbraw/zinc/55/07/21/1101550721.db2.gz NKPBDEAUUUWXNQ-QGZVFWFLSA-N 1 3 349.519 2.598 20 0 EFADHO CCCOc1ccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC000067671603 1101550790 /nfs/dbraw/zinc/55/07/90/1101550790.db2.gz DYCJIXGYRPJLON-KRWDZBQOSA-N 1 3 349.519 2.600 20 0 EFADHO CCCOc1ccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC000067671602 1101550844 /nfs/dbraw/zinc/55/08/44/1101550844.db2.gz DYCJIXGYRPJLON-QGZVFWFLSA-N 1 3 349.519 2.600 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1 ZINC001088106226 1101554575 /nfs/dbraw/zinc/55/45/75/1101554575.db2.gz RHSKEUPYFZZSTO-RLLQIKCJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1 ZINC001088106226 1101554587 /nfs/dbraw/zinc/55/45/87/1101554587.db2.gz RHSKEUPYFZZSTO-RLLQIKCJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088105969 1101559138 /nfs/dbraw/zinc/55/91/38/1101559138.db2.gz JQTFYJOLMCTTLY-NXHRZFHOSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088105969 1101559148 /nfs/dbraw/zinc/55/91/48/1101559148.db2.gz JQTFYJOLMCTTLY-NXHRZFHOSA-N 1 3 347.528 2.513 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCC4)CC[C@@H]3C2)C1 ZINC001088107124 1101561705 /nfs/dbraw/zinc/56/17/05/1101561705.db2.gz IBYMPLUXXRYUJZ-MOPGFXCFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCC4)CC[C@@H]3C2)C1 ZINC001088107124 1101561714 /nfs/dbraw/zinc/56/17/14/1101561714.db2.gz IBYMPLUXXRYUJZ-MOPGFXCFSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088109383 1101565956 /nfs/dbraw/zinc/56/59/56/1101565956.db2.gz BWRAOCVZRUERCQ-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)N(C)C ZINC001088109383 1101565964 /nfs/dbraw/zinc/56/59/64/1101565964.db2.gz BWRAOCVZRUERCQ-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001087134777 1101609803 /nfs/dbraw/zinc/60/98/03/1101609803.db2.gz GKFHHNVMRMCLPD-MNEFBYGVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129934 1101623284 /nfs/dbraw/zinc/62/32/84/1101623284.db2.gz NDUCHIOVEPKINU-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129934 1101623289 /nfs/dbraw/zinc/62/32/89/1101623289.db2.gz NDUCHIOVEPKINU-CEXWTWQISA-N 1 3 335.536 2.686 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001088150731 1101686096 /nfs/dbraw/zinc/68/60/96/1101686096.db2.gz SUFGQVHRWMFHNB-TUNPWDSISA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)CN4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001088150731 1101686105 /nfs/dbraw/zinc/68/61/05/1101686105.db2.gz SUFGQVHRWMFHNB-TUNPWDSISA-N 1 3 347.547 2.545 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056842 1101691266 /nfs/dbraw/zinc/69/12/66/1101691266.db2.gz JDVGPMZYRDRUGP-JWWGGVBKSA-N 1 3 343.515 2.981 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056842 1101691274 /nfs/dbraw/zinc/69/12/74/1101691274.db2.gz JDVGPMZYRDRUGP-JWWGGVBKSA-N 1 3 343.515 2.981 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056841 1101691582 /nfs/dbraw/zinc/69/15/82/1101691582.db2.gz JDVGPMZYRDRUGP-HRQSHJORSA-N 1 3 343.515 2.981 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168056841 1101691588 /nfs/dbraw/zinc/69/15/88/1101691588.db2.gz JDVGPMZYRDRUGP-HRQSHJORSA-N 1 3 343.515 2.981 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000069645192 1101723342 /nfs/dbraw/zinc/72/33/42/1101723342.db2.gz WNYBWGGSLBUZKJ-UHFFFAOYSA-N 1 3 328.412 2.646 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(-n2cccn2)cc1 ZINC001655633845 1101862702 /nfs/dbraw/zinc/86/27/02/1101862702.db2.gz ALZNJKZWRFGUAJ-KRWDZBQOSA-N 1 3 333.439 2.978 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001075367156 1101981775 /nfs/dbraw/zinc/98/17/75/1101981775.db2.gz NOZMCWRCAKTBPB-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1)N(C)C ZINC001104348194 1101994456 /nfs/dbraw/zinc/99/44/56/1101994456.db2.gz ANQOOPAXGDSEEZ-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001167224177 1102077755 /nfs/dbraw/zinc/07/77/55/1102077755.db2.gz GGFJDHOBFAAMNW-OAHLLOKOSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167223874 1102078199 /nfs/dbraw/zinc/07/81/99/1102078199.db2.gz COHNOZZYYUEOBG-INIZCTEOSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC001167224242 1102079048 /nfs/dbraw/zinc/07/90/48/1102079048.db2.gz HUGPTMVSLMJETP-OAHLLOKOSA-N 1 3 349.544 2.917 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001167232636 1102097400 /nfs/dbraw/zinc/09/74/00/1102097400.db2.gz KTVWMBSSMDXUPT-KRWDZBQOSA-N 1 3 347.547 2.785 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001167232711 1102097483 /nfs/dbraw/zinc/09/74/83/1102097483.db2.gz NLQGASMNPCQVJZ-QZTJIDSGSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001167232671 1102099114 /nfs/dbraw/zinc/09/91/14/1102099114.db2.gz LWRARDHJRDXAEB-INIZCTEOSA-N 1 3 335.536 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001167232968 1102100162 /nfs/dbraw/zinc/10/01/62/1102100162.db2.gz WJFTZYDXEXUOIF-INIZCTEOSA-N 1 3 347.478 2.544 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001167232969 1102100282 /nfs/dbraw/zinc/10/02/82/1102100282.db2.gz WJFTZYDXEXUOIF-MRXNPFEDSA-N 1 3 347.478 2.544 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240949 1102126535 /nfs/dbraw/zinc/12/65/35/1102126535.db2.gz XBADKKUJLQZBFC-HNNXBMFYSA-N 1 3 329.504 2.589 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001167257624 1102160390 /nfs/dbraw/zinc/16/03/90/1102160390.db2.gz FMZILBSVQPZPBT-BLRBJFNZSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001480875675 1102241172 /nfs/dbraw/zinc/24/11/72/1102241172.db2.gz JHRAGLCPDGGBME-FQEVSTJZSA-N 1 3 341.499 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001480875675 1102241177 /nfs/dbraw/zinc/24/11/77/1102241177.db2.gz JHRAGLCPDGGBME-FQEVSTJZSA-N 1 3 341.499 2.974 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001167480861 1102301138 /nfs/dbraw/zinc/30/11/38/1102301138.db2.gz UTJFTXJPHCTOIZ-KRWDZBQOSA-N 1 3 325.541 2.887 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCCc2ccccc2)CC1 ZINC001167484178 1102349065 /nfs/dbraw/zinc/34/90/65/1102349065.db2.gz XFSSHUBAIQPJBS-UHFFFAOYSA-N 1 3 345.531 2.837 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001167487060 1102382718 /nfs/dbraw/zinc/38/27/18/1102382718.db2.gz YFLRLURPIWRQNB-DHZHZOJOSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001087181450 1102709732 /nfs/dbraw/zinc/70/97/32/1102709732.db2.gz RWECLSMUBKAFLK-HYVNUMGLSA-N 1 3 337.533 2.805 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480883625 1102718823 /nfs/dbraw/zinc/71/88/23/1102718823.db2.gz IPWBCQXNRZUOCW-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001480883625 1102718833 /nfs/dbraw/zinc/71/88/33/1102718833.db2.gz IPWBCQXNRZUOCW-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccsc1 ZINC001104292060 1102862747 /nfs/dbraw/zinc/86/27/47/1102862747.db2.gz ISMYUXGJFVDZAG-OLMNPRSZSA-N 1 3 349.544 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104292312 1102864609 /nfs/dbraw/zinc/86/46/09/1102864609.db2.gz UVIRORZVIIHJJP-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCCCCF ZINC001104294180 1102876011 /nfs/dbraw/zinc/87/60/11/1102876011.db2.gz AJOIHNXNEYQILW-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO c1csc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000076763569 1102939084 /nfs/dbraw/zinc/93/90/84/1102939084.db2.gz XBKFBXZAVJSRFJ-AWEZNQCLSA-N 1 3 346.500 2.729 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnccc2C)C1)N(C)C ZINC001088334256 1102986044 /nfs/dbraw/zinc/98/60/44/1102986044.db2.gz DNADAKABALQTLY-RTBURBONSA-N 1 3 346.519 2.591 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001271938899 1103121149 /nfs/dbraw/zinc/12/11/49/1103121149.db2.gz CLGQHGRQZOQMPL-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271940544 1103128878 /nfs/dbraw/zinc/12/88/78/1103128878.db2.gz JWHTUNFHKJCUCJ-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001483266572 1103187491 /nfs/dbraw/zinc/18/74/91/1103187491.db2.gz OYQJTOCXWGWJPN-GJZGRUSLSA-N 1 3 337.483 2.959 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cs1 ZINC001483266433 1103192050 /nfs/dbraw/zinc/19/20/50/1103192050.db2.gz MDZVVQADWRBZOX-ZDUSSCGKSA-N 1 3 325.522 2.629 20 0 EFADHO C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccccc1)N1CCCCCC1 ZINC001271976605 1103329065 /nfs/dbraw/zinc/32/90/65/1103329065.db2.gz WGWUNHLQQOQURL-SLFFLAALSA-N 1 3 341.499 2.909 20 0 EFADHO C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](c1ccccc1)N1CCCCCC1 ZINC001271976605 1103329079 /nfs/dbraw/zinc/32/90/79/1103329079.db2.gz WGWUNHLQQOQURL-SLFFLAALSA-N 1 3 341.499 2.909 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)C1 ZINC001088382043 1103340799 /nfs/dbraw/zinc/34/07/99/1103340799.db2.gz SRKMPAROCQAAHL-CRAIPNDOSA-N 1 3 345.478 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001088382377 1103342128 /nfs/dbraw/zinc/34/21/28/1103342128.db2.gz ZTPZEQHIRZLPNT-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112196343 1103365385 /nfs/dbraw/zinc/36/53/85/1103365385.db2.gz DLJOWYJEMCBPHS-HUUCEWRRSA-N 1 3 349.441 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC=C(C)C)C1 ZINC001112196343 1103365402 /nfs/dbraw/zinc/36/54/02/1103365402.db2.gz DLJOWYJEMCBPHS-HUUCEWRRSA-N 1 3 349.441 2.663 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001088390118 1103378392 /nfs/dbraw/zinc/37/83/92/1103378392.db2.gz FLEQZLAKTIGOJB-SFHVURJKSA-N 1 3 340.471 2.556 20 0 EFADHO CCc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001409481941 1103456275 /nfs/dbraw/zinc/45/62/75/1103456275.db2.gz BTYMYJHFOOYDLU-UHFFFAOYSA-N 1 3 342.487 2.789 20 0 EFADHO C[C@@H]1[C@H](C)N(C(=O)c2ccc(C[NH+]3CCCCC3)o2)[C@@H](C)CN1C ZINC000905985375 1103792251 /nfs/dbraw/zinc/79/22/51/1103792251.db2.gz UBCRWXDPWDFDPH-XHSDSOJGSA-N 1 3 333.476 2.819 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001127066464 1103962949 /nfs/dbraw/zinc/96/29/49/1103962949.db2.gz PDKOAGVQTLDMCE-QGZVFWFLSA-N 1 3 329.444 2.511 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001127066464 1103962953 /nfs/dbraw/zinc/96/29/53/1103962953.db2.gz PDKOAGVQTLDMCE-QGZVFWFLSA-N 1 3 329.444 2.511 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001483567856 1103967289 /nfs/dbraw/zinc/96/72/89/1103967289.db2.gz UKHSJLQGVXRENW-IRXDYDNUSA-N 1 3 337.533 2.627 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001105438294 1104097186 /nfs/dbraw/zinc/09/71/86/1104097186.db2.gz CKEAZNIWCMDTKD-RVWIWJKTSA-N 1 3 343.515 2.544 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001105439058 1104100717 /nfs/dbraw/zinc/10/07/17/1104100717.db2.gz XPJVVIKJVGORQW-QFUCXCTJSA-N 1 3 343.515 2.687 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168377967 1104113323 /nfs/dbraw/zinc/11/33/23/1104113323.db2.gz IPRBRPUDLRNHDP-FUHWJXTLSA-N 1 3 349.519 2.802 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H](c3nc(-c4ccccc4)no3)C3(CNC3)C2)cc1 ZINC001211912334 1104195230 /nfs/dbraw/zinc/19/52/30/1104195230.db2.gz ZLEHFONIIDTVLI-SFHVURJKSA-N 1 3 346.434 2.926 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H](c3nc(-c4ccccc4)no3)C3(CNC3)C2)cc1 ZINC001211912334 1104195237 /nfs/dbraw/zinc/19/52/37/1104195237.db2.gz ZLEHFONIIDTVLI-SFHVURJKSA-N 1 3 346.434 2.926 20 0 EFADHO Fc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168395165 1104199499 /nfs/dbraw/zinc/19/94/99/1104199499.db2.gz OGIVFDWJYRPDTI-UHFFFAOYSA-N 1 3 333.451 2.938 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001105447406 1104213847 /nfs/dbraw/zinc/21/38/47/1104213847.db2.gz FLRUGTBIIAUYNU-SBHAEUEKSA-N 1 3 343.515 2.687 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001409561156 1104253477 /nfs/dbraw/zinc/25/34/77/1104253477.db2.gz GKOXPQBBODQUAL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001409561156 1104253484 /nfs/dbraw/zinc/25/34/84/1104253484.db2.gz GKOXPQBBODQUAL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001664190980 1104312492 /nfs/dbraw/zinc/31/24/92/1104312492.db2.gz XVIFZXJGUVJMNF-HNNXBMFYSA-N 1 3 327.419 2.512 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001409574847 1104313020 /nfs/dbraw/zinc/31/30/20/1104313020.db2.gz XMPHDOFZVBJRCF-HKUYNNGSSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001409574847 1104313032 /nfs/dbraw/zinc/31/30/32/1104313032.db2.gz XMPHDOFZVBJRCF-HKUYNNGSSA-N 1 3 333.520 2.560 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1cccc(F)c1 ZINC001409587019 1104373426 /nfs/dbraw/zinc/37/34/26/1104373426.db2.gz MAFDSTPWJJRDLB-INIZCTEOSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1cccc(F)c1 ZINC001409587019 1104373437 /nfs/dbraw/zinc/37/34/37/1104373437.db2.gz MAFDSTPWJJRDLB-INIZCTEOSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](CN1CCCC1=O)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000080191243 1104515836 /nfs/dbraw/zinc/51/58/36/1104515836.db2.gz PHQQKINNSGWRAL-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CN1CCCC1=O)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080191243 1104515842 /nfs/dbraw/zinc/51/58/42/1104515842.db2.gz PHQQKINNSGWRAL-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)cc1F ZINC001409653886 1104597810 /nfs/dbraw/zinc/59/78/10/1104597810.db2.gz YHKBSNICXDWFAV-INIZCTEOSA-N 1 3 349.494 2.803 20 0 EFADHO CN(CC[N@H+](C)CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001482618311 1104651138 /nfs/dbraw/zinc/65/11/38/1104651138.db2.gz BCYIFOHSCCJUTI-UYAOXDASSA-N 1 3 343.515 2.591 20 0 EFADHO CN(CC[N@@H+](C)CC[C@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001482618311 1104651143 /nfs/dbraw/zinc/65/11/43/1104651143.db2.gz BCYIFOHSCCJUTI-UYAOXDASSA-N 1 3 343.515 2.591 20 0 EFADHO CN(CC[N@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001482618310 1104651384 /nfs/dbraw/zinc/65/13/84/1104651384.db2.gz BCYIFOHSCCJUTI-AZUAARDMSA-N 1 3 343.515 2.591 20 0 EFADHO CN(CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001482618310 1104651389 /nfs/dbraw/zinc/65/13/89/1104651389.db2.gz BCYIFOHSCCJUTI-AZUAARDMSA-N 1 3 343.515 2.591 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccc(F)cc1 ZINC001409693891 1104672774 /nfs/dbraw/zinc/67/27/74/1104672774.db2.gz SBLCQFBOCJBWQU-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC000081047679 1104710958 /nfs/dbraw/zinc/71/09/58/1104710958.db2.gz PZGPHCYZZCHBHI-IRXDYDNUSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000081358637 1104795415 /nfs/dbraw/zinc/79/54/15/1104795415.db2.gz BKYUPWDGBVFLTB-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@@H]1C ZINC001088605372 1104850892 /nfs/dbraw/zinc/85/08/92/1104850892.db2.gz QZVGSLIJWCQAMR-HOJAQTOUSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H]1C ZINC001088605372 1104850901 /nfs/dbraw/zinc/85/09/01/1104850901.db2.gz QZVGSLIJWCQAMR-HOJAQTOUSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001482677969 1104881022 /nfs/dbraw/zinc/88/10/22/1104881022.db2.gz JMCHKABFEHIPIM-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001030019279 1105212626 /nfs/dbraw/zinc/21/26/26/1105212626.db2.gz DDMXVRSCOZLYOG-WDSOQIARSA-N 1 3 331.504 2.914 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000261537541 1105232729 /nfs/dbraw/zinc/23/27/29/1105232729.db2.gz MIXFYEKJHWLMCZ-PKOBYXMFSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261537540 1105233298 /nfs/dbraw/zinc/23/32/98/1105233298.db2.gz MIXFYEKJHWLMCZ-MJGOQNOKSA-N 1 3 331.504 2.603 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)CN1CC[C@@H](C)C1 ZINC001482950512 1105247890 /nfs/dbraw/zinc/24/78/90/1105247890.db2.gz UPJFOLHJLQFYJT-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(CCNCc1cc2ccccc2o1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001668460386 1105301266 /nfs/dbraw/zinc/30/12/66/1105301266.db2.gz ZBJONWZJDHHGPO-IBGZPJMESA-N 1 3 345.487 2.957 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988955991 1105399411 /nfs/dbraw/zinc/39/94/11/1105399411.db2.gz NIKTWCLWUISBRA-LPHOPBHVSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988956333 1105400237 /nfs/dbraw/zinc/40/02/37/1105400237.db2.gz PUFBFXOTNLVJOB-NVXWUHKLSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988964235 1105408177 /nfs/dbraw/zinc/40/81/77/1105408177.db2.gz AIYNMNUUTULJGY-SJLPKXTDSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389097 1105839621 /nfs/dbraw/zinc/83/96/21/1105839621.db2.gz IAXCOBRFIKKGSN-WMLDXEAASA-N 1 3 349.906 2.761 20 0 EFADHO CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563666 1105943082 /nfs/dbraw/zinc/94/30/82/1105943082.db2.gz QQWRPHUMGQAART-QZTJIDSGSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566409 1105955349 /nfs/dbraw/zinc/95/53/49/1105955349.db2.gz KZZKWMHULQQZBI-KRWDZBQOSA-N 1 3 332.492 2.749 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000897908659 1106144597 /nfs/dbraw/zinc/14/45/97/1106144597.db2.gz KIULBBKDUJOIDU-SFHVURJKSA-N 1 3 349.519 2.971 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000989449303 1106183901 /nfs/dbraw/zinc/18/39/01/1106183901.db2.gz GLVGVKMXOZUEQA-RHSMWYFYSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000989449415 1106185620 /nfs/dbraw/zinc/18/56/20/1106185620.db2.gz HDQOQZFSMAQKAR-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449685 1106208838 /nfs/dbraw/zinc/20/88/38/1106208838.db2.gz KPMGXXFPQLEPKX-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449657 1106209270 /nfs/dbraw/zinc/20/92/70/1106209270.db2.gz KKLBEOWVUSTGJQ-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451851 1106215587 /nfs/dbraw/zinc/21/55/87/1106215587.db2.gz WGAKHWWKVVXMMG-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451194 1106220458 /nfs/dbraw/zinc/22/04/58/1106220458.db2.gz RZPTUFZQBFBLGT-JKSUJKDBSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)CC1 ZINC000898074670 1106225738 /nfs/dbraw/zinc/22/57/38/1106225738.db2.gz VOOOHKBDAYTCBV-GVDBMIGSSA-N 1 3 337.508 2.989 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000989457869 1106279153 /nfs/dbraw/zinc/27/91/53/1106279153.db2.gz XHQILEPZIRWXTM-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000989457869 1106279157 /nfs/dbraw/zinc/27/91/57/1106279157.db2.gz XHQILEPZIRWXTM-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)c1c[nH]cn1 ZINC000989486955 1106354931 /nfs/dbraw/zinc/35/49/31/1106354931.db2.gz VWBGANRXGKMUJR-ZACQAIPSSA-N 1 3 344.503 2.658 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)c1c[nH]cn1 ZINC000989486955 1106354935 /nfs/dbraw/zinc/35/49/35/1106354935.db2.gz VWBGANRXGKMUJR-ZACQAIPSSA-N 1 3 344.503 2.658 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606634 1106481941 /nfs/dbraw/zinc/48/19/41/1106481941.db2.gz SVVNQQCSNXFMRR-QUCCMNQESA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606669 1106481961 /nfs/dbraw/zinc/48/19/61/1106481961.db2.gz TVQIAZZNPBHOOF-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606803 1106482500 /nfs/dbraw/zinc/48/25/00/1106482500.db2.gz VDGSHRONWWKWCQ-MJGOQNOKSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682232 1106543090 /nfs/dbraw/zinc/54/30/90/1106543090.db2.gz HWKIUEMMKYXELD-ZBFHGGJFSA-N 1 3 347.890 2.515 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001088692933 1106549795 /nfs/dbraw/zinc/54/97/95/1106549795.db2.gz DVHVYMDACNGCDA-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001088692933 1106549797 /nfs/dbraw/zinc/54/97/97/1106549797.db2.gz DVHVYMDACNGCDA-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[NH+]1CC(Nc2nc(N3CCOCC3)cc3ccccc32)C1 ZINC001168313224 1106588154 /nfs/dbraw/zinc/58/81/54/1106588154.db2.gz NPFJDTJVZZKKFM-UHFFFAOYSA-N 1 3 326.444 2.576 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730493 1106594376 /nfs/dbraw/zinc/59/43/76/1106594376.db2.gz ZUBXIHNFVCOWFK-KRWDZBQOSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730493 1106594379 /nfs/dbraw/zinc/59/43/79/1106594379.db2.gz ZUBXIHNFVCOWFK-KRWDZBQOSA-N 1 3 331.504 2.942 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000989797463 1106668281 /nfs/dbraw/zinc/66/82/81/1106668281.db2.gz XTHIDFYQJPQUDT-SUMWQHHRSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798762 1106670345 /nfs/dbraw/zinc/67/03/45/1106670345.db2.gz FOZTZNGANFSOBC-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989799124 1106670376 /nfs/dbraw/zinc/67/03/76/1106670376.db2.gz JUZHNEYSFMSCHR-PKOBYXMFSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829765 1106688240 /nfs/dbraw/zinc/68/82/40/1106688240.db2.gz WIKRNMKYWCVVTE-DOTOQJQBSA-N 1 3 335.517 2.703 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320581 1106711068 /nfs/dbraw/zinc/71/10/68/1106711068.db2.gz DOTDDARNNSGNAF-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC001168320670 1106715012 /nfs/dbraw/zinc/71/50/12/1106715012.db2.gz JIWRZGICUUNKTO-UHFFFAOYSA-N 1 3 335.467 2.542 20 0 EFADHO O[C@H](CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)COCc1ccccc1 ZINC000903210367 1107070097 /nfs/dbraw/zinc/07/00/97/1107070097.db2.gz XBYGXNHQEFOWLV-VCYXJBJXSA-N 1 3 344.499 2.702 20 0 EFADHO O[C@H](CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)COCc1ccccc1 ZINC000903210367 1107070114 /nfs/dbraw/zinc/07/01/14/1107070114.db2.gz XBYGXNHQEFOWLV-VCYXJBJXSA-N 1 3 344.499 2.702 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001168344536 1107374807 /nfs/dbraw/zinc/37/48/07/1107374807.db2.gz DOYSBBNHJYLATH-QGZVFWFLSA-N 1 3 331.504 2.964 20 0 EFADHO Cc1ccc(CC[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001168345313 1107383314 /nfs/dbraw/zinc/38/33/14/1107383314.db2.gz PCGCXNMYLRKZKF-UHFFFAOYSA-N 1 3 345.531 2.754 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168345269 1107383551 /nfs/dbraw/zinc/38/35/51/1107383551.db2.gz MRNXSGCSCQORFG-KRWDZBQOSA-N 1 3 325.541 2.885 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001088703012 1107444003 /nfs/dbraw/zinc/44/40/03/1107444003.db2.gz WXKSUSAAQLEKCB-WBVHZDCISA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CC(C)(C)C1 ZINC001088703012 1107444007 /nfs/dbraw/zinc/44/40/07/1107444007.db2.gz WXKSUSAAQLEKCB-WBVHZDCISA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC000990243238 1107551847 /nfs/dbraw/zinc/55/18/47/1107551847.db2.gz CTLGIDQFAXDPPX-KDOFPFPSSA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243359 1107552113 /nfs/dbraw/zinc/55/21/13/1107552113.db2.gz FFNVMCWBKUBQFY-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243360 1107553086 /nfs/dbraw/zinc/55/30/86/1107553086.db2.gz FFNVMCWBKUBQFY-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC000990243235 1107553128 /nfs/dbraw/zinc/55/31/28/1107553128.db2.gz CTLGIDQFAXDPPX-KBXCAEBGSA-N 1 3 333.451 2.562 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000990245826 1107554196 /nfs/dbraw/zinc/55/41/96/1107554196.db2.gz YSFKJSRXXZYUCJ-FQEVSTJZSA-N 1 3 343.515 2.787 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000990276368 1107586832 /nfs/dbraw/zinc/58/68/32/1107586832.db2.gz IGJOFFXDJFVEQF-QGZVFWFLSA-N 1 3 335.879 2.515 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000990278392 1107590063 /nfs/dbraw/zinc/59/00/63/1107590063.db2.gz RDQICVIYVCMIJB-HXUWFJFHSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990278348 1107590329 /nfs/dbraw/zinc/59/03/29/1107590329.db2.gz QDIRYCZBGHLTEJ-LPHOPBHVSA-N 1 3 329.488 2.731 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040250207 1107675189 /nfs/dbraw/zinc/67/51/89/1107675189.db2.gz NLEAOONHYHKGKL-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040250207 1107675195 /nfs/dbraw/zinc/67/51/95/1107675195.db2.gz NLEAOONHYHKGKL-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1ccsc1 ZINC001088708018 1107688970 /nfs/dbraw/zinc/68/89/70/1107688970.db2.gz ALBFWAIIIMPLHE-DYVFJYSZSA-N 1 3 340.452 2.789 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1ccsc1 ZINC001088708018 1107688980 /nfs/dbraw/zinc/68/89/80/1107688980.db2.gz ALBFWAIIIMPLHE-DYVFJYSZSA-N 1 3 340.452 2.789 20 0 EFADHO CN(C[C@@]1(C)CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317242 1107809787 /nfs/dbraw/zinc/80/97/87/1107809787.db2.gz USVVXRCQQYVBGC-FQEVSTJZSA-N 1 3 329.488 2.613 20 0 EFADHO C[N@H+](C[C@@]1(C)CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317242 1107809801 /nfs/dbraw/zinc/80/98/01/1107809801.db2.gz USVVXRCQQYVBGC-FQEVSTJZSA-N 1 3 329.488 2.613 20 0 EFADHO C[N@@H+](C[C@@]1(C)CCCNC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000904317242 1107809819 /nfs/dbraw/zinc/80/98/19/1107809819.db2.gz USVVXRCQQYVBGC-FQEVSTJZSA-N 1 3 329.488 2.613 20 0 EFADHO CC(C)(C)CC[C@@H]([NH3+])CNCCCN1c2ccccc2OCC1=O ZINC000904362396 1107847885 /nfs/dbraw/zinc/84/78/85/1107847885.db2.gz MEUGQJPHAXBPTK-OAHLLOKOSA-N 1 3 333.476 2.545 20 0 EFADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000904371528 1107866853 /nfs/dbraw/zinc/86/68/53/1107866853.db2.gz PNJCAXQSFRZCCL-GPMSIDNRSA-N 1 3 339.524 2.859 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC001089186149 1107881850 /nfs/dbraw/zinc/88/18/50/1107881850.db2.gz HGGPXSPVXBYSKF-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC001089186149 1107881872 /nfs/dbraw/zinc/88/18/72/1107881872.db2.gz HGGPXSPVXBYSKF-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272419281 1108245357 /nfs/dbraw/zinc/24/53/57/1108245357.db2.gz FXZWQLYEOIZQQR-QGZVFWFLSA-N 1 3 343.515 2.975 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001089256724 1108246486 /nfs/dbraw/zinc/24/64/86/1108246486.db2.gz AJCHJZJQRAYYTN-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089256724 1108246495 /nfs/dbraw/zinc/24/64/95/1108246495.db2.gz AJCHJZJQRAYYTN-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001089261081 1108294815 /nfs/dbraw/zinc/29/48/15/1108294815.db2.gz LOPIMAAMSLZZSU-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCCN1C(=O)CN1CCCC1 ZINC001089261081 1108294823 /nfs/dbraw/zinc/29/48/23/1108294823.db2.gz LOPIMAAMSLZZSU-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001089261805 1108297134 /nfs/dbraw/zinc/29/71/34/1108297134.db2.gz QZNIPWXWFPQFEB-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001089261805 1108297141 /nfs/dbraw/zinc/29/71/41/1108297141.db2.gz QZNIPWXWFPQFEB-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)CC[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272447923 1108343332 /nfs/dbraw/zinc/34/33/32/1108343332.db2.gz ALUKZYFJXYYAGW-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001272453999 1108364671 /nfs/dbraw/zinc/36/46/71/1108364671.db2.gz PRJVTROMGPYYHR-SFHVURJKSA-N 1 3 329.488 2.624 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905056128 1108380293 /nfs/dbraw/zinc/38/02/93/1108380293.db2.gz WBFCCEJTIOMHKD-IBGZPJMESA-N 1 3 334.504 2.807 20 0 EFADHO O[C@@H](CCOCc1ccccc1)CNC1CC[NH+](C2CCCC2)CC1 ZINC000905156214 1108432435 /nfs/dbraw/zinc/43/24/35/1108432435.db2.gz SNGZSMQVNDVMFP-NRFANRHFSA-N 1 3 346.515 2.951 20 0 EFADHO O[C@@H](CCOCc1ccccc1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000905156214 1108432442 /nfs/dbraw/zinc/43/24/42/1108432442.db2.gz SNGZSMQVNDVMFP-NRFANRHFSA-N 1 3 346.515 2.951 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256146 1108466735 /nfs/dbraw/zinc/46/67/35/1108466735.db2.gz MLVIWBRZAZGALF-SJORKVTESA-N 1 3 341.455 2.513 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256146 1108466740 /nfs/dbraw/zinc/46/67/40/1108466740.db2.gz MLVIWBRZAZGALF-SJORKVTESA-N 1 3 341.455 2.513 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000905211190 1108520321 /nfs/dbraw/zinc/52/03/21/1108520321.db2.gz ZHAFHCKPUPQNIO-MTNOOBJLSA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000905211190 1108520333 /nfs/dbraw/zinc/52/03/33/1108520333.db2.gz ZHAFHCKPUPQNIO-MTNOOBJLSA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(F)F ZINC000905262020 1108551108 /nfs/dbraw/zinc/55/11/08/1108551108.db2.gz FATXFNDMRFWNCD-WMZOPIPTSA-N 1 3 326.431 2.894 20 0 EFADHO Cc1cccc([C@@H](O)CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000905262317 1108552166 /nfs/dbraw/zinc/55/21/66/1108552166.db2.gz VADWAPYNAURTDJ-IBGZPJMESA-N 1 3 343.471 2.544 20 0 EFADHO C[C@@](O)(C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)C(F)F ZINC000905262018 1108552647 /nfs/dbraw/zinc/55/26/47/1108552647.db2.gz FATXFNDMRFWNCD-FUHWJXTLSA-N 1 3 326.431 2.894 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CC3CCCC3)C2)C1=O ZINC001272500317 1108559264 /nfs/dbraw/zinc/55/92/64/1108559264.db2.gz WERAPDWUGJRTPB-OAQYLSRUSA-N 1 3 341.499 2.729 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001272500317 1108559269 /nfs/dbraw/zinc/55/92/69/1108559269.db2.gz WERAPDWUGJRTPB-OAQYLSRUSA-N 1 3 341.499 2.729 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)N(C)C ZINC000697835457 1108562001 /nfs/dbraw/zinc/56/20/01/1108562001.db2.gz DNYUQEXMNGYUDB-QBPKDAKJSA-N 1 3 339.524 2.952 20 0 EFADHO CC(C)(C)OC(=O)NCC(C)(C)NC1CC[NH+](CC2CC2)CC1 ZINC001168359967 1108574205 /nfs/dbraw/zinc/57/42/05/1108574205.db2.gz KHCFQIOFFNNSKK-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)c1 ZINC001101037799 1108644875 /nfs/dbraw/zinc/64/48/75/1108644875.db2.gz XHAKWEVMYAJKPR-UHFFFAOYSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001167051475 1108739910 /nfs/dbraw/zinc/73/99/10/1108739910.db2.gz NYVFSVIZCBZDQS-GOSISDBHSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924720785 1108864454 /nfs/dbraw/zinc/86/44/54/1108864454.db2.gz BNYRHJORNHLFQB-GOSISDBHSA-N 1 3 338.499 2.550 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001030021653 1108892115 /nfs/dbraw/zinc/89/21/15/1108892115.db2.gz QPUXSHLYYNRTPF-WDSOQIARSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990791358 1109360505 /nfs/dbraw/zinc/36/05/05/1109360505.db2.gz NEAZTPNABWSCAV-KLICCBINSA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990791358 1109360511 /nfs/dbraw/zinc/36/05/11/1109360511.db2.gz NEAZTPNABWSCAV-KLICCBINSA-N 1 3 347.528 2.702 20 0 EFADHO c1cc(-c2nc(CC3CC[NH2+]CC3)no2)oc1CN1CCCCC1 ZINC000900016035 1109584018 /nfs/dbraw/zinc/58/40/18/1109584018.db2.gz IZGJSAMRNBPUCA-UHFFFAOYSA-N 1 3 330.432 2.858 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001076321926 1109766639 /nfs/dbraw/zinc/76/66/39/1109766639.db2.gz BVEQGIAQDDPGSC-YSIASYRMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001076321926 1109766641 /nfs/dbraw/zinc/76/66/41/1109766641.db2.gz BVEQGIAQDDPGSC-YSIASYRMSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604166 1109944722 /nfs/dbraw/zinc/94/47/22/1109944722.db2.gz PUBFKRJPOMHZKQ-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604166 1109944726 /nfs/dbraw/zinc/94/47/26/1109944726.db2.gz PUBFKRJPOMHZKQ-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]32)c1 ZINC001076604106 1109945089 /nfs/dbraw/zinc/94/50/89/1109945089.db2.gz MHOFMZGKTRECRV-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)c1 ZINC001076604106 1109945094 /nfs/dbraw/zinc/94/50/94/1109945094.db2.gz MHOFMZGKTRECRV-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106246830 1111213407 /nfs/dbraw/zinc/21/34/07/1111213407.db2.gz RFNVGLMIWOUTTH-KZNAEPCWSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106246529 1111213427 /nfs/dbraw/zinc/21/34/27/1111213427.db2.gz NBFRWOKXMSBXOH-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106246854 1111213825 /nfs/dbraw/zinc/21/38/25/1111213825.db2.gz SJLJPVISWBIZJY-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106250063 1111221660 /nfs/dbraw/zinc/22/16/60/1111221660.db2.gz XLYWDDNJRWANIM-LZQZEXGQSA-N 1 3 335.536 2.591 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250053 1111221735 /nfs/dbraw/zinc/22/17/35/1111221735.db2.gz XGRYMYONWKKVMM-XHCLTZFXSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255691 1111233508 /nfs/dbraw/zinc/23/35/08/1111233508.db2.gz FDEXPGSOLXOZBH-KZNAEPCWSA-N 1 3 337.552 2.837 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127317105 1111347979 /nfs/dbraw/zinc/34/79/79/1111347979.db2.gz JLNZHWWMAIOACH-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1)N1CCCCC1 ZINC001127321713 1111412370 /nfs/dbraw/zinc/41/23/70/1111412370.db2.gz DPAGAMTWLBTTMX-UHFFFAOYSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322823 1111422867 /nfs/dbraw/zinc/42/28/67/1111422867.db2.gz XQJHGXWJGTZIBZ-UHFFFAOYSA-N 1 3 335.467 2.604 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001106336141 1111425599 /nfs/dbraw/zinc/42/55/99/1111425599.db2.gz DRVVGPOFCYTJRM-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001106339334 1111432216 /nfs/dbraw/zinc/43/22/16/1111432216.db2.gz GRBHUUSXHPGBLL-NVXWUHKLSA-N 1 3 349.494 2.740 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106340404 1111433075 /nfs/dbraw/zinc/43/30/75/1111433075.db2.gz WPTWNCIEYGQADO-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21)N1CCCCC1 ZINC001127327266 1111456350 /nfs/dbraw/zinc/45/63/50/1111456350.db2.gz IYTNFFSEMHGHHU-GOSISDBHSA-N 1 3 347.478 2.783 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1)N(C)C ZINC001272607786 1111549399 /nfs/dbraw/zinc/54/93/99/1111549399.db2.gz FGAWGIBKKSKWMH-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1)N(C)C ZINC001272607786 1111549402 /nfs/dbraw/zinc/54/94/02/1111549402.db2.gz FGAWGIBKKSKWMH-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665263 1111708374 /nfs/dbraw/zinc/70/83/74/1111708374.db2.gz PDNQTBONBDHFPV-YSNLUETFSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106665492 1111708459 /nfs/dbraw/zinc/70/84/59/1111708459.db2.gz YWRNPMNPLBJVSD-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3CCCCC3)[C@H](C)C2)C1 ZINC001106666794 1111708868 /nfs/dbraw/zinc/70/88/68/1111708868.db2.gz VXDRSQZZTFSKMA-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106668824 1111712042 /nfs/dbraw/zinc/71/20/42/1111712042.db2.gz QGJQCOOYPNQXJI-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1)N(C)C ZINC001106673095 1111713324 /nfs/dbraw/zinc/71/33/24/1111713324.db2.gz BRHBXSXTKXHZRY-BOXHGLORSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(F)cc1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001272617307 1111750463 /nfs/dbraw/zinc/75/04/63/1111750463.db2.gz WWLYRLKQBXMDOS-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106729205 1111771092 /nfs/dbraw/zinc/77/10/92/1111771092.db2.gz MLMSDUDKZCTCJP-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729466 1111771599 /nfs/dbraw/zinc/77/15/99/1111771599.db2.gz SCDMOSOLXTZDHV-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106775434 1111821209 /nfs/dbraw/zinc/82/12/09/1111821209.db2.gz FJLDQRJERXJKLN-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC[N@@H+]1C ZINC001089390687 1112056313 /nfs/dbraw/zinc/05/63/13/1112056313.db2.gz HYWJQZVZEACXBH-MEGFOXKASA-N 1 3 341.927 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC[N@H+]1C ZINC001089390687 1112056318 /nfs/dbraw/zinc/05/63/18/1112056318.db2.gz HYWJQZVZEACXBH-MEGFOXKASA-N 1 3 341.927 2.686 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089400285 1112070115 /nfs/dbraw/zinc/07/01/15/1112070115.db2.gz HPHBYOFAFNJSAV-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089400285 1112070120 /nfs/dbraw/zinc/07/01/20/1112070120.db2.gz HPHBYOFAFNJSAV-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC1 ZINC001089484086 1112214987 /nfs/dbraw/zinc/21/49/87/1112214987.db2.gz RUTFWRSGJDNLHK-KZJSRBBCSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487720 1112222602 /nfs/dbraw/zinc/22/26/02/1112222602.db2.gz MXGADJGSXVARGN-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487720 1112222606 /nfs/dbraw/zinc/22/26/06/1112222606.db2.gz MXGADJGSXVARGN-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487716 1112222733 /nfs/dbraw/zinc/22/27/33/1112222733.db2.gz MXGADJGSXVARGN-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487716 1112222736 /nfs/dbraw/zinc/22/27/36/1112222736.db2.gz MXGADJGSXVARGN-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491850 1112228319 /nfs/dbraw/zinc/22/83/19/1112228319.db2.gz WOCSCUXLYGSQEA-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491850 1112228323 /nfs/dbraw/zinc/22/83/23/1112228323.db2.gz WOCSCUXLYGSQEA-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547278 1112291912 /nfs/dbraw/zinc/29/19/12/1112291912.db2.gz AXCBHLCWFBJOGG-GOEBONIOSA-N 1 3 334.508 2.914 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547278 1112291915 /nfs/dbraw/zinc/29/19/15/1112291915.db2.gz AXCBHLCWFBJOGG-GOEBONIOSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089548627 1112294038 /nfs/dbraw/zinc/29/40/38/1112294038.db2.gz NMNYDVXHNMAOAW-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089548627 1112294045 /nfs/dbraw/zinc/29/40/45/1112294045.db2.gz NMNYDVXHNMAOAW-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO CC[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001040848551 1112304501 /nfs/dbraw/zinc/30/45/01/1112304501.db2.gz KQBFUVMIMBYTNF-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CC1 ZINC001483773890 1112361497 /nfs/dbraw/zinc/36/14/97/1112361497.db2.gz OFCIPJGFVFGJEK-SFHVURJKSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1cc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)c(C)s1 ZINC001483793978 1112454821 /nfs/dbraw/zinc/45/48/21/1112454821.db2.gz OBCSJPXQSMCRLU-UHFFFAOYSA-N 1 3 349.544 2.979 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001483798745 1112460957 /nfs/dbraw/zinc/46/09/57/1112460957.db2.gz JSCRRJBYFAZHSE-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001483798745 1112460965 /nfs/dbraw/zinc/46/09/65/1112460965.db2.gz JSCRRJBYFAZHSE-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCc3cccs3)C2)C1 ZINC001483845959 1112505127 /nfs/dbraw/zinc/50/51/27/1112505127.db2.gz CJHYNVNJEUGRGQ-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCc3cccs3)C2)C1 ZINC001483845959 1112505133 /nfs/dbraw/zinc/50/51/33/1112505133.db2.gz CJHYNVNJEUGRGQ-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001483924502 1112563792 /nfs/dbraw/zinc/56/37/92/1112563792.db2.gz JBMPGZONGUPBKC-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001483952190 1112595692 /nfs/dbraw/zinc/59/56/92/1112595692.db2.gz RNPVMQFFVJWZQR-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(F)(F)F)C1CCCC1)N(C)C ZINC001484009205 1112657902 /nfs/dbraw/zinc/65/79/02/1112657902.db2.gz LBCMGRFNHFSSLC-KBPBESRZSA-N 1 3 337.430 2.544 20 0 EFADHO CCc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001484548117 1112996159 /nfs/dbraw/zinc/99/61/59/1112996159.db2.gz VWIKWJJFRRKNNV-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001484657689 1113096572 /nfs/dbraw/zinc/09/65/72/1113096572.db2.gz NVONFFVRKKWXBG-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001484657689 1113096575 /nfs/dbraw/zinc/09/65/75/1113096575.db2.gz NVONFFVRKKWXBG-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001484826013 1117764331 /nfs/dbraw/zinc/76/43/31/1117764331.db2.gz ZWVQTUZJZWXXKX-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1 ZINC001484826013 1117764336 /nfs/dbraw/zinc/76/43/36/1117764336.db2.gz ZWVQTUZJZWXXKX-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCCCF)CC1(C)C)N(C)C ZINC001484938013 1117852025 /nfs/dbraw/zinc/85/20/25/1117852025.db2.gz ZLJISLOMRCJEBQ-IRXDYDNUSA-N 1 3 343.531 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCCCF)CC1(C)C)N(C)C ZINC001484938013 1117852029 /nfs/dbraw/zinc/85/20/29/1117852029.db2.gz ZLJISLOMRCJEBQ-IRXDYDNUSA-N 1 3 343.531 2.929 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821258 1117920845 /nfs/dbraw/zinc/92/08/45/1117920845.db2.gz RMHDGNCZVRNVEC-OKYOBFRVSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821258 1117920854 /nfs/dbraw/zinc/92/08/54/1117920854.db2.gz RMHDGNCZVRNVEC-OKYOBFRVSA-N 1 3 345.531 2.606 20 0 EFADHO CN(CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1CC1)C1CCC1 ZINC001485044387 1117963699 /nfs/dbraw/zinc/96/36/99/1117963699.db2.gz YKQFSKOEBWMDOJ-TZIWHRDSSA-N 1 3 341.499 2.643 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1F ZINC001485076562 1118018337 /nfs/dbraw/zinc/01/83/37/1118018337.db2.gz UINYYPMKPSARAE-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1F ZINC001485076562 1118018344 /nfs/dbraw/zinc/01/83/44/1118018344.db2.gz UINYYPMKPSARAE-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CN(CC(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)C1CCC1 ZINC001485238674 1118170503 /nfs/dbraw/zinc/17/05/03/1118170503.db2.gz JRDUXEXHYQCBAC-WCIBSUBMSA-N 1 3 327.900 2.582 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2F)C1 ZINC001485260991 1118180808 /nfs/dbraw/zinc/18/08/08/1118180808.db2.gz SOTYKVOVBXAXQQ-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845504 1118242012 /nfs/dbraw/zinc/24/20/12/1118242012.db2.gz FPBVGJYFYOXMCV-RDGPPVDQSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845504 1118242016 /nfs/dbraw/zinc/24/20/16/1118242016.db2.gz FPBVGJYFYOXMCV-RDGPPVDQSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485344571 1118264970 /nfs/dbraw/zinc/26/49/70/1118264970.db2.gz IQYVRSAWOYJXRU-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485377237 1118303382 /nfs/dbraw/zinc/30/33/82/1118303382.db2.gz YGAWTDJLHSYNCP-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485377237 1118303387 /nfs/dbraw/zinc/30/33/87/1118303387.db2.gz YGAWTDJLHSYNCP-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CC1CC(C)C1 ZINC001485390969 1118316780 /nfs/dbraw/zinc/31/67/80/1118316780.db2.gz ZGXVDBVAEJCBAV-UPTPFMHGSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CC1CC(C)C1 ZINC001485390969 1118316781 /nfs/dbraw/zinc/31/67/81/1118316781.db2.gz ZGXVDBVAEJCBAV-UPTPFMHGSA-N 1 3 331.504 2.844 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001485508610 1118427222 /nfs/dbraw/zinc/42/72/22/1118427222.db2.gz HHBYKBDFXLLPLC-IAGOWNOFSA-N 1 3 343.515 2.977 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001485528870 1118429705 /nfs/dbraw/zinc/42/97/05/1118429705.db2.gz MTFUPHSEXDWICY-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001485528870 1118429707 /nfs/dbraw/zinc/42/97/07/1118429707.db2.gz MTFUPHSEXDWICY-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485526408 1118437340 /nfs/dbraw/zinc/43/73/40/1118437340.db2.gz JTFADQWHKBWJDA-KRWDZBQOSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(F)c(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1 ZINC001272706890 1118747504 /nfs/dbraw/zinc/74/75/04/1118747504.db2.gz JAVJRLQAMQYBBV-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862922 1118805234 /nfs/dbraw/zinc/80/52/34/1118805234.db2.gz QVSYHEQMKKRXQC-OKYOBFRVSA-N 1 3 347.547 2.687 20 0 EFADHO CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089862922 1118805239 /nfs/dbraw/zinc/80/52/39/1118805239.db2.gz QVSYHEQMKKRXQC-OKYOBFRVSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032027728 1118952698 /nfs/dbraw/zinc/95/26/98/1118952698.db2.gz YIIHLCFWYMUDIY-GOSISDBHSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042877 1119072894 /nfs/dbraw/zinc/07/28/94/1119072894.db2.gz MYFJUEHRHPXIIV-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001032042877 1119072898 /nfs/dbraw/zinc/07/28/98/1119072898.db2.gz MYFJUEHRHPXIIV-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC2CN(CC3=CCCCC3)C2)cc1 ZINC001032055330 1119189425 /nfs/dbraw/zinc/18/94/25/1119189425.db2.gz YCGAJUNDOCWVHC-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)C3CC[NH+](C(C)C)CC3)C2)c1 ZINC001032095325 1119624300 /nfs/dbraw/zinc/62/43/00/1119624300.db2.gz WUFGKBLUXNUTBV-UHFFFAOYSA-N 1 3 343.515 2.663 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001032119288 1119768677 /nfs/dbraw/zinc/76/86/77/1119768677.db2.gz LHKLBJGAEOTVIF-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001107035916 1120013529 /nfs/dbraw/zinc/01/35/29/1120013529.db2.gz DMLKMDOBYGLQIA-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cs1 ZINC001107042294 1120067080 /nfs/dbraw/zinc/06/70/80/1120067080.db2.gz FNFKUADZPKELGH-RHSMWYFYSA-N 1 3 337.533 2.581 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)c1 ZINC001107042412 1120067788 /nfs/dbraw/zinc/06/77/88/1120067788.db2.gz LSFODAVDRDDWQS-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1C ZINC000944441744 1120193852 /nfs/dbraw/zinc/19/38/52/1120193852.db2.gz ACACNXFJRMLXCB-YOEHRIQHSA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1C ZINC000944441744 1120193856 /nfs/dbraw/zinc/19/38/56/1120193856.db2.gz ACACNXFJRMLXCB-YOEHRIQHSA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@H]1C ZINC000944447130 1120195864 /nfs/dbraw/zinc/19/58/64/1120195864.db2.gz XTFSNDCBVBWZAW-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C[C@H]1C ZINC000944447130 1120195865 /nfs/dbraw/zinc/19/58/65/1120195865.db2.gz XTFSNDCBVBWZAW-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032205195 1120196583 /nfs/dbraw/zinc/19/65/83/1120196583.db2.gz RGWSTGOYNHTWNV-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001032206207 1120200181 /nfs/dbraw/zinc/20/01/81/1120200181.db2.gz UWHMWTUFYDRHKM-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028183 1120518930 /nfs/dbraw/zinc/51/89/30/1120518930.db2.gz FJRAYKZSHPQCTE-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028183 1120518933 /nfs/dbraw/zinc/51/89/33/1120518933.db2.gz FJRAYKZSHPQCTE-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029636 1120520611 /nfs/dbraw/zinc/52/06/11/1120520611.db2.gz VGKSDUHQZOJDBF-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029636 1120520616 /nfs/dbraw/zinc/52/06/16/1120520616.db2.gz VGKSDUHQZOJDBF-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029428 1120520777 /nfs/dbraw/zinc/52/07/77/1120520777.db2.gz SPEUJLFNCLDNBA-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029428 1120520780 /nfs/dbraw/zinc/52/07/80/1120520780.db2.gz SPEUJLFNCLDNBA-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089873 1120559642 /nfs/dbraw/zinc/55/96/42/1120559642.db2.gz IODYJJXHFJSWLC-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089873 1120559645 /nfs/dbraw/zinc/55/96/45/1120559645.db2.gz IODYJJXHFJSWLC-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090545 1120560566 /nfs/dbraw/zinc/56/05/66/1120560566.db2.gz LJWJQDGCLMFTAS-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090545 1120560568 /nfs/dbraw/zinc/56/05/68/1120560568.db2.gz LJWJQDGCLMFTAS-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccc([C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173956577 231080183 /nfs/dbraw/zinc/08/01/83/231080183.db2.gz APAINZAVEKGISP-HXUWFJFHSA-N 1 3 332.488 2.605 20 0 EFADHO CC[C@@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]1 ZINC000134586975 529519590 /nfs/dbraw/zinc/51/95/90/529519590.db2.gz BHJGAOYZXANGJH-IBGZPJMESA-N 1 3 347.528 2.749 20 0 EFADHO CN(C)CCN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000176283865 231615829 /nfs/dbraw/zinc/61/58/29/231615829.db2.gz KEXMWQCEIXDNKB-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000339402903 282241483 /nfs/dbraw/zinc/24/14/83/282241483.db2.gz MNIGXIXJBJDTPJ-GOSISDBHSA-N 1 3 346.519 2.853 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000173956772 529870362 /nfs/dbraw/zinc/87/03/62/529870362.db2.gz URVWCMCDSBPGID-QGZVFWFLSA-N 1 3 349.544 2.829 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000173956772 529870363 /nfs/dbraw/zinc/87/03/63/529870363.db2.gz URVWCMCDSBPGID-QGZVFWFLSA-N 1 3 349.544 2.829 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCCC1 ZINC000168709256 529970536 /nfs/dbraw/zinc/97/05/36/529970536.db2.gz FJYDGHMLEIKJPH-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCCC1 ZINC000168709256 529970537 /nfs/dbraw/zinc/97/05/37/529970537.db2.gz FJYDGHMLEIKJPH-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO CN(c1ccccc1CN1CCC(C)(O)CC1)C1CC[NH+](C)CC1 ZINC000179725201 530036830 /nfs/dbraw/zinc/03/68/30/530036830.db2.gz HGLYKYVVIDHWJM-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000154171103 530058683 /nfs/dbraw/zinc/05/86/83/530058683.db2.gz OCDKLIGHNDPCBV-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC[C@@H]21 ZINC000154171103 530058684 /nfs/dbraw/zinc/05/86/84/530058684.db2.gz OCDKLIGHNDPCBV-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000101662841 219153538 /nfs/dbraw/zinc/15/35/38/219153538.db2.gz JQSVNOBWWRFXBL-BBWFWOEESA-N 1 3 347.503 2.505 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450019243 282389757 /nfs/dbraw/zinc/38/97/57/282389757.db2.gz UNUZVSXTFCXKFP-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450019243 282389758 /nfs/dbraw/zinc/38/97/58/282389758.db2.gz UNUZVSXTFCXKFP-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000377265995 299119390 /nfs/dbraw/zinc/11/93/90/299119390.db2.gz OXTRPFFFEBCLEM-UHOSZYNNSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410275 299119596 /nfs/dbraw/zinc/11/95/96/299119596.db2.gz XWNNMQMASRNJTC-JENIJYKNSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410275 299119597 /nfs/dbraw/zinc/11/95/97/299119597.db2.gz XWNNMQMASRNJTC-JENIJYKNSA-N 1 3 348.535 2.519 20 0 EFADHO NC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000178693729 232383351 /nfs/dbraw/zinc/38/33/51/232383351.db2.gz UEHQIBRLUUULIW-FQEVSTJZSA-N 1 3 337.467 2.641 20 0 EFADHO CN1CCC([NH+]2CCC(NCC3=Cc4ccccc4OC3)CC2)CC1 ZINC000102425763 219203150 /nfs/dbraw/zinc/20/31/50/219203150.db2.gz VWRCIRNTINKSOD-UHFFFAOYSA-N 1 3 341.499 2.611 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000067452971 215148136 /nfs/dbraw/zinc/14/81/36/215148136.db2.gz YGCAZNNXZFQGHK-HZPDHXFCSA-N 1 3 336.476 2.683 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000068775245 215333493 /nfs/dbraw/zinc/33/34/93/215333493.db2.gz FRXMRHHTQPASJT-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068775245 215333495 /nfs/dbraw/zinc/33/34/95/215333495.db2.gz FRXMRHHTQPASJT-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCC[NH2+]1 ZINC000180995418 234055433 /nfs/dbraw/zinc/05/54/33/234055433.db2.gz RIBJYIKJTCYPSC-YJBOKZPZSA-N 1 3 335.517 2.609 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411875357 535198864 /nfs/dbraw/zinc/19/88/64/535198864.db2.gz LYGZGBVKGFIWOW-UHFFFAOYSA-N 1 3 325.566 2.764 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411875357 535198870 /nfs/dbraw/zinc/19/88/70/535198870.db2.gz LYGZGBVKGFIWOW-UHFFFAOYSA-N 1 3 325.566 2.764 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000374443814 283092938 /nfs/dbraw/zinc/09/29/38/283092938.db2.gz NQICDLYCTATWHD-YQVWRLOYSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000374443814 283092940 /nfs/dbraw/zinc/09/29/40/283092940.db2.gz NQICDLYCTATWHD-YQVWRLOYSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000195598988 295905340 /nfs/dbraw/zinc/90/53/40/295905340.db2.gz PPHTZQPERZULCL-AOIWGVFYSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCCC12CCN(C)CC2 ZINC000361714007 295908418 /nfs/dbraw/zinc/90/84/18/295908418.db2.gz LVNHZPHJVADVHO-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1C ZINC000422562931 291099023 /nfs/dbraw/zinc/09/90/23/291099023.db2.gz RBIZREBKZDBKDU-XCRHUMRWSA-N 1 3 348.487 2.660 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353952097 283171280 /nfs/dbraw/zinc/17/12/80/283171280.db2.gz SPXMRDNJOPBZRE-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353952097 283171283 /nfs/dbraw/zinc/17/12/83/283171283.db2.gz SPXMRDNJOPBZRE-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H]1C[C@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]1 ZINC000358680810 291107046 /nfs/dbraw/zinc/10/70/46/291107046.db2.gz BYEXEVWHHIBWFC-DLBZAZTESA-N 1 3 329.488 2.677 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357632242 283182889 /nfs/dbraw/zinc/18/28/89/283182889.db2.gz AVJJMBFLDFLQQI-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357632242 283182890 /nfs/dbraw/zinc/18/28/90/283182890.db2.gz AVJJMBFLDFLQQI-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000344543921 283219551 /nfs/dbraw/zinc/21/95/51/283219551.db2.gz VOLHGKMHUMYBAK-IAGOWNOFSA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000355457996 283237581 /nfs/dbraw/zinc/23/75/81/283237581.db2.gz JCQWSLATKFGXAD-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000351812035 283238271 /nfs/dbraw/zinc/23/82/71/283238271.db2.gz STGOWOWFCJZAOP-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000351812035 283238277 /nfs/dbraw/zinc/23/82/77/283238277.db2.gz STGOWOWFCJZAOP-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCNC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821131 283381114 /nfs/dbraw/zinc/38/11/14/283381114.db2.gz OAIXXEMEFIJGGI-INIZCTEOSA-N 1 3 332.492 2.535 20 0 EFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000414206284 299284019 /nfs/dbraw/zinc/28/40/19/299284019.db2.gz YDMAICLWPNYIQP-CEXWTWQISA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000421824318 296005508 /nfs/dbraw/zinc/00/55/08/296005508.db2.gz IBONUIANXAYCGA-BBRMVZONSA-N 1 3 328.859 2.847 20 0 EFADHO C[C@H](NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423023972 299309122 /nfs/dbraw/zinc/30/91/22/299309122.db2.gz KZRCDJXXKBJERR-BNLOLNQZSA-N 1 3 325.859 2.669 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267192955 299309784 /nfs/dbraw/zinc/30/97/84/299309784.db2.gz DOXNWDNMNSLNRA-WFXMLNOXSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267192955 299309787 /nfs/dbraw/zinc/30/97/87/299309787.db2.gz DOXNWDNMNSLNRA-WFXMLNOXSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000131727974 223264063 /nfs/dbraw/zinc/26/40/63/223264063.db2.gz UWGKXKFQTKUZNX-MNOVXSKESA-N 1 3 330.259 2.991 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164839635 239119112 /nfs/dbraw/zinc/11/91/12/239119112.db2.gz XRGDYMBKCUIXFH-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191837846 239331036 /nfs/dbraw/zinc/33/10/36/239331036.db2.gz BMORACGVMCHPGS-UKAVVXHISA-N 1 3 345.531 2.596 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000193874579 240342803 /nfs/dbraw/zinc/34/28/03/240342803.db2.gz BUVKBSLJQZOTCX-MDMHHNQBSA-N 1 3 342.483 2.828 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000358411728 283923600 /nfs/dbraw/zinc/92/36/00/283923600.db2.gz PZLKTXWQTKFFGL-ROUUACIJSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1F ZINC000132862218 223369173 /nfs/dbraw/zinc/36/91/73/223369173.db2.gz XPBBXQKLVGOWFR-GJZGRUSLSA-N 1 3 336.451 2.986 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000226873482 242117360 /nfs/dbraw/zinc/11/73/60/242117360.db2.gz ISMOQVOCAHCAAQ-KCPJHIHWSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000226873482 242117364 /nfs/dbraw/zinc/11/73/64/242117364.db2.gz ISMOQVOCAHCAAQ-KCPJHIHWSA-N 1 3 327.266 2.555 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236758450 242348024 /nfs/dbraw/zinc/34/80/24/242348024.db2.gz RECZVNGZPCJZMS-MJGOQNOKSA-N 1 3 349.494 2.870 20 0 EFADHO CCC(CC)(C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236777706 242354148 /nfs/dbraw/zinc/35/41/48/242354148.db2.gz OGPQIQKZLPWONU-INIZCTEOSA-N 1 3 335.467 2.671 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000236704175 242327601 /nfs/dbraw/zinc/32/76/01/242327601.db2.gz FADWZKCQXCEILF-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000236704175 242327608 /nfs/dbraw/zinc/32/76/08/242327608.db2.gz FADWZKCQXCEILF-LPHOPBHVSA-N 1 3 331.504 2.908 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](CN)c1ccccc1)c1ccccc1 ZINC000236833012 242374535 /nfs/dbraw/zinc/37/45/35/242374535.db2.gz KNAXOFZXBKSKCU-UXHICEINSA-N 1 3 339.483 2.928 20 0 EFADHO CCCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC[NH2+]CC1 ZINC000236855514 242385134 /nfs/dbraw/zinc/38/51/34/242385134.db2.gz GTFZKGIGQQZUPI-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000247190815 299377265 /nfs/dbraw/zinc/37/72/65/299377265.db2.gz UKTRLOGLFKNIQS-IAOVAPTHSA-N 1 3 339.505 2.582 20 0 EFADHO CC[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000411435359 242836465 /nfs/dbraw/zinc/83/64/65/242836465.db2.gz CMDUGCKGWCRKDU-LJQANCHMSA-N 1 3 347.503 2.725 20 0 EFADHO OC[C@@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411985770 243056293 /nfs/dbraw/zinc/05/62/93/243056293.db2.gz JGSKYCSFTMYXRN-WOJBJXKFSA-N 1 3 332.488 2.550 20 0 EFADHO OC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCOC1 ZINC000411985770 243056299 /nfs/dbraw/zinc/05/62/99/243056299.db2.gz JGSKYCSFTMYXRN-WOJBJXKFSA-N 1 3 332.488 2.550 20 0 EFADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423179314 296118740 /nfs/dbraw/zinc/11/87/40/296118740.db2.gz LXHMEAYOWIZUFW-IEBWSBKVSA-N 1 3 331.504 2.700 20 0 EFADHO OCC1([C@H]([NH2+]CCCN2CCCCC2)c2ccccc2)CCOCC1 ZINC000412015101 243072225 /nfs/dbraw/zinc/07/22/25/243072225.db2.gz ZDZNGFHOMIYMDJ-HXUWFJFHSA-N 1 3 346.515 2.982 20 0 EFADHO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC[C@H]3CCCN3C)ccc2NC1=O ZINC000245856330 243162026 /nfs/dbraw/zinc/16/20/26/243162026.db2.gz HLDWJOQYDODGFY-LXZKKBNFSA-N 1 3 331.460 2.931 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1[NH+](C)C ZINC000412144084 243165493 /nfs/dbraw/zinc/16/54/93/243165493.db2.gz APJPMTMNUHDIMQ-LPHOPBHVSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000246459899 243257995 /nfs/dbraw/zinc/25/79/95/243257995.db2.gz VYBCUEABAJUBKH-DBXWQHBBSA-N 1 3 346.515 2.931 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000412415803 243306416 /nfs/dbraw/zinc/30/64/16/243306416.db2.gz KFSZQZRAIMCJHA-INIZCTEOSA-N 1 3 339.455 2.871 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000246554202 243271406 /nfs/dbraw/zinc/27/14/06/243271406.db2.gz UBXQJTSHBGSHBM-MNIJEXPFSA-N 1 3 341.499 2.686 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1C ZINC000414179287 244033826 /nfs/dbraw/zinc/03/38/26/244033826.db2.gz AGXPWVHCIIGRQV-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1C ZINC000414179286 244034324 /nfs/dbraw/zinc/03/43/24/244034324.db2.gz AGXPWVHCIIGRQV-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CC[C@H](C)C[C@H](CC)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414195710 244041764 /nfs/dbraw/zinc/04/17/64/244041764.db2.gz OGZRLIQMTZSYBZ-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298968 244076670 /nfs/dbraw/zinc/07/66/70/244076670.db2.gz HPULEDWNPSCHFP-VQTJNVASSA-N 1 3 346.515 2.808 20 0 EFADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414332548 244093477 /nfs/dbraw/zinc/09/34/77/244093477.db2.gz DZMHXBWSQMLCSA-HKUYNNGSSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000414490928 244193910 /nfs/dbraw/zinc/19/39/10/244193910.db2.gz YLQWRSAQWDDEBH-UHFFFAOYSA-N 1 3 345.531 2.696 20 0 EFADHO C[C@H](CC[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414490439 244193998 /nfs/dbraw/zinc/19/39/98/244193998.db2.gz XLRPHYVRQHIMSH-LJQANCHMSA-N 1 3 345.531 2.566 20 0 EFADHO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703777 244298826 /nfs/dbraw/zinc/29/88/26/244298826.db2.gz VTLZZRRXUVKDKS-YLJYHZDGSA-N 1 3 331.504 2.821 20 0 EFADHO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414703777 244298831 /nfs/dbraw/zinc/29/88/31/244298831.db2.gz VTLZZRRXUVKDKS-YLJYHZDGSA-N 1 3 331.504 2.821 20 0 EFADHO COc1cccc([C@H](C)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414701236 244296252 /nfs/dbraw/zinc/29/62/52/244296252.db2.gz ULKABUSMJLSOIO-SQNIBIBYSA-N 1 3 331.504 2.762 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2CCCc2ccccc2)C1 ZINC000414697834 244296285 /nfs/dbraw/zinc/29/62/85/244296285.db2.gz CGFNIRGLQCFRNV-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CCCc2ccccc2)C1 ZINC000414697834 244296287 /nfs/dbraw/zinc/29/62/87/244296287.db2.gz CGFNIRGLQCFRNV-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1C[C@H](CN(C)Cc2cc3c(cc2OC(F)F)OCO3)CC[NH2+]1 ZINC000414698172 244296926 /nfs/dbraw/zinc/29/69/26/244296926.db2.gz IQOQZSWJUDFKQV-NWDGAFQWSA-N 1 3 342.386 2.837 20 0 EFADHO C[C@@H]1C[C@@H](CN2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414679085 244288516 /nfs/dbraw/zinc/28/85/16/244288516.db2.gz KYMHMYLUNKGUNP-KGLIPLIRSA-N 1 3 327.925 2.907 20 0 EFADHO CCN(CC(=O)Nc1c(F)cccc1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414728104 244311366 /nfs/dbraw/zinc/31/13/66/244311366.db2.gz CACKOIMXJVXIDL-STQMWFEESA-N 1 3 325.403 2.613 20 0 EFADHO CCN(CC(=O)Nc1c(F)cccc1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414728100 244311457 /nfs/dbraw/zinc/31/14/57/244311457.db2.gz CACKOIMXJVXIDL-OLZOCXBDSA-N 1 3 325.403 2.613 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747706 244323133 /nfs/dbraw/zinc/32/31/33/244323133.db2.gz SMJAIGXMPLPDFS-YZGWKJHDSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747706 244323137 /nfs/dbraw/zinc/32/31/37/244323137.db2.gz SMJAIGXMPLPDFS-YZGWKJHDSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414746554 244323794 /nfs/dbraw/zinc/32/37/94/244323794.db2.gz RBVURAZLWSLVFI-BEFAXECRSA-N 1 3 335.467 2.652 20 0 EFADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414746554 244323802 /nfs/dbraw/zinc/32/38/02/244323802.db2.gz RBVURAZLWSLVFI-BEFAXECRSA-N 1 3 335.467 2.652 20 0 EFADHO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414746557 244324746 /nfs/dbraw/zinc/32/47/46/244324746.db2.gz RBVURAZLWSLVFI-KXBFYZLASA-N 1 3 335.467 2.652 20 0 EFADHO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414746557 244324753 /nfs/dbraw/zinc/32/47/53/244324753.db2.gz RBVURAZLWSLVFI-KXBFYZLASA-N 1 3 335.467 2.652 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414771889 244339210 /nfs/dbraw/zinc/33/92/10/244339210.db2.gz APDYVFGMMBKSSB-RTBURBONSA-N 1 3 342.462 2.892 20 0 EFADHO COC(=O)c1nc([C@@H]2CCCN2C[C@H]2CC[NH2+][C@@H](C)C2)sc1C ZINC000414755642 244329207 /nfs/dbraw/zinc/32/92/07/244329207.db2.gz IAGUXXGMAFOMLB-UBHSHLNASA-N 1 3 337.489 2.763 20 0 EFADHO CCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OCC ZINC000414798914 244359441 /nfs/dbraw/zinc/35/94/41/244359441.db2.gz ZRYNAHLFPODCJZ-XLIONFOSSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@@H](C[NH3+])C1CC1 ZINC000414807048 244362200 /nfs/dbraw/zinc/36/22/00/244362200.db2.gz QQVLGVMWJLILFP-YGRLFVJLSA-N 1 3 345.365 2.629 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CC1 ZINC000414814079 244364649 /nfs/dbraw/zinc/36/46/49/244364649.db2.gz YYCFABCDAYAXGU-IINYFYTJSA-N 1 3 329.366 2.749 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414848068 244369237 /nfs/dbraw/zinc/36/92/37/244369237.db2.gz WRCFERMIEJXUES-VXGBXAGGSA-N 1 3 342.281 2.611 20 0 EFADHO Fc1ccc(-n2cc(CNCC[C@H]3CCC[NH2+]C3)nn2)cc1Cl ZINC000414848803 244369589 /nfs/dbraw/zinc/36/95/89/244369589.db2.gz XJWFTFNDFPWONA-GFCCVEGCSA-N 1 3 337.830 2.539 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414847473 244370437 /nfs/dbraw/zinc/37/04/37/244370437.db2.gz VWKJVZJEMYSJPV-NEPJUHHUSA-N 1 3 342.281 2.611 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@@H]1CCCNC1 ZINC000414854376 244372019 /nfs/dbraw/zinc/37/20/19/244372019.db2.gz LTYKNCBVQDVUSG-LSDHHAIUSA-N 1 3 349.906 2.922 20 0 EFADHO COc1ccc(Br)c(CNCC[C@@H]2CCC[NH2+]C2)c1 ZINC000414854610 244373071 /nfs/dbraw/zinc/37/30/71/244373071.db2.gz ULBJVGSCEHNUMZ-LBPRGKRZSA-N 1 3 327.266 2.937 20 0 EFADHO Clc1ccc(OC2CCCC2)c(CNCCN2CC[NH2+]CC2)c1 ZINC000414860791 244375685 /nfs/dbraw/zinc/37/56/85/244375685.db2.gz DMWXOKZJEYBTLU-UHFFFAOYSA-N 1 3 337.895 2.656 20 0 EFADHO COc1ccccc1-n1nccc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779483 244342386 /nfs/dbraw/zinc/34/23/86/244342386.db2.gz KDSWWUOTACLELL-DLBZAZTESA-N 1 3 340.471 2.702 20 0 EFADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777854 244342557 /nfs/dbraw/zinc/34/25/57/244342557.db2.gz INMONYSZPLKGOR-LSDHHAIUSA-N 1 3 336.863 2.948 20 0 EFADHO NC[C@H]1C[N@H+](CCCCCOc2ccccc2)CC12CCOCC2 ZINC000414777257 244342633 /nfs/dbraw/zinc/34/26/33/244342633.db2.gz HVTDCOPTLKBNKK-SFHVURJKSA-N 1 3 332.488 2.923 20 0 EFADHO NC[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC12CCOCC2 ZINC000414777257 244342641 /nfs/dbraw/zinc/34/26/41/244342641.db2.gz HVTDCOPTLKBNKK-SFHVURJKSA-N 1 3 332.488 2.923 20 0 EFADHO CC(C)COc1ccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414778013 244342991 /nfs/dbraw/zinc/34/29/91/244342991.db2.gz IUQDVIRMQKXTLA-SFHVURJKSA-N 1 3 332.488 2.909 20 0 EFADHO CCOc1c(OC)cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784456 244347421 /nfs/dbraw/zinc/34/74/21/244347421.db2.gz RHUWTVFSOFDLMP-DLBZAZTESA-N 1 3 348.487 2.924 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCC3CC3)cc2)CC12CCOCC2 ZINC000414782246 244348006 /nfs/dbraw/zinc/34/80/06/244348006.db2.gz OCMHHSBNMIEHMH-GOSISDBHSA-N 1 3 330.472 2.663 20 0 EFADHO Cc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc2cccnc12 ZINC000414786668 244351630 /nfs/dbraw/zinc/35/16/30/244351630.db2.gz URTSRACIIIRNME-SFHVURJKSA-N 1 3 325.456 2.731 20 0 EFADHO CCCOc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC ZINC000414789326 244354629 /nfs/dbraw/zinc/35/46/29/244354629.db2.gz OCXQVOMDSBKOTQ-XLIONFOSSA-N 1 3 348.487 2.812 20 0 EFADHO Cc1ncc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1-c1ccccc1 ZINC000414793320 244356596 /nfs/dbraw/zinc/35/65/96/244356596.db2.gz TVLJAOQTRGLNKO-UXHICEINSA-N 1 3 340.471 2.509 20 0 EFADHO COC[C@@]1(C[NH2+]C[C@@H](C)c2cccc(Br)c2)CCCN1 ZINC000414945612 244397584 /nfs/dbraw/zinc/39/75/84/244397584.db2.gz QSLOUWNXKKJQRU-CJNGLKHVSA-N 1 3 341.293 2.911 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1 ZINC000414945970 244397968 /nfs/dbraw/zinc/39/79/68/244397968.db2.gz JACUEWVMQIFMRO-DZGCQCFKSA-N 1 3 335.879 2.675 20 0 EFADHO CC(C)(CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCCCC1 ZINC000416820279 244857030 /nfs/dbraw/zinc/85/70/30/244857030.db2.gz CEOACZCFGHGCJH-UHFFFAOYSA-N 1 3 338.540 2.802 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417225792 245051943 /nfs/dbraw/zinc/05/19/43/245051943.db2.gz YIYUODVNJXLULK-TXPKVOOTSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000417675244 245086892 /nfs/dbraw/zinc/08/68/92/245086892.db2.gz BRNDUVZFDLGGEE-GPMSIDNRSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000417705760 245087607 /nfs/dbraw/zinc/08/76/07/245087607.db2.gz NWLLXXRSWPEOGG-JKSUJKDBSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000417705757 245088541 /nfs/dbraw/zinc/08/85/41/245088541.db2.gz NWLLXXRSWPEOGG-CVEARBPZSA-N 1 3 346.519 2.885 20 0 EFADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000417388928 245076954 /nfs/dbraw/zinc/07/69/54/245076954.db2.gz PASQYFVVKLTQKJ-INDMIFKZSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417388928 245076961 /nfs/dbraw/zinc/07/69/61/245076961.db2.gz PASQYFVVKLTQKJ-INDMIFKZSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417388928 245076967 /nfs/dbraw/zinc/07/69/67/245076967.db2.gz PASQYFVVKLTQKJ-INDMIFKZSA-N 1 3 349.469 2.826 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418310198 245118743 /nfs/dbraw/zinc/11/87/43/245118743.db2.gz JIJSKNQGBFTSAY-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418425755 245152706 /nfs/dbraw/zinc/15/27/06/245152706.db2.gz KKNFZGGKAHKWAP-SFHVURJKSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(C(=O)NCC[NH2+]CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418327276 245124215 /nfs/dbraw/zinc/12/42/15/245124215.db2.gz PWKXAEQMZQFKRO-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000262698408 245128233 /nfs/dbraw/zinc/12/82/33/245128233.db2.gz FVVQYTAMSNBXLM-LJQANCHMSA-N 1 3 333.476 2.926 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000418341370 245128459 /nfs/dbraw/zinc/12/84/59/245128459.db2.gz DCVJXNIACVGZJK-GPMSIDNRSA-N 1 3 346.519 2.874 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000418353885 245132888 /nfs/dbraw/zinc/13/28/88/245132888.db2.gz NUAUNONTIYMJDP-SFHVURJKSA-N 1 3 332.492 2.547 20 0 EFADHO CCC[C@](C)(N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262706543 245132996 /nfs/dbraw/zinc/13/29/96/245132996.db2.gz MLZGIUSVQWEYAQ-FQEVSTJZSA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@](C)(N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000262706543 245133001 /nfs/dbraw/zinc/13/30/01/245133001.db2.gz MLZGIUSVQWEYAQ-FQEVSTJZSA-N 1 3 331.504 2.875 20 0 EFADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418387414 245141738 /nfs/dbraw/zinc/14/17/38/245141738.db2.gz OGIATYOWALDSBR-CTWPCTMYSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418416595 245150522 /nfs/dbraw/zinc/15/05/22/245150522.db2.gz QYKGDXZXCOSKQW-MJGOQNOKSA-N 1 3 346.519 2.666 20 0 EFADHO CCCN(C(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC000418495572 245175392 /nfs/dbraw/zinc/17/53/92/245175392.db2.gz BLPPUTDEFHTNKD-MOPGFXCFSA-N 1 3 340.471 2.623 20 0 EFADHO NC[C@H](NC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499712 245177021 /nfs/dbraw/zinc/17/70/21/245177021.db2.gz MNQMYXGXQAIUCC-KXBFYZLASA-N 1 3 340.471 2.610 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502335 245177533 /nfs/dbraw/zinc/17/75/33/245177533.db2.gz VAEKCKILLBIRCL-KUHUBIRLSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502336 245177772 /nfs/dbraw/zinc/17/77/72/245177772.db2.gz VAEKCKILLBIRCL-LIRRHRJNSA-N 1 3 340.471 2.608 20 0 EFADHO CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418432199 245154290 /nfs/dbraw/zinc/15/42/90/245154290.db2.gz YUOIEVWZFVIOTQ-RBUKOAKNSA-N 1 3 346.519 2.666 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418456332 245163756 /nfs/dbraw/zinc/16/37/56/245163756.db2.gz FQLZQAGKXBESSZ-IFXJQAMLSA-N 1 3 340.471 2.768 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418547324 245190081 /nfs/dbraw/zinc/19/00/81/245190081.db2.gz AIUUWDACTZZKAO-UHFFFAOYSA-N 1 3 344.503 2.553 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)NCc1ccc2c(c1)CNC2)c1ccccc1 ZINC000418552908 245192149 /nfs/dbraw/zinc/19/21/49/245192149.db2.gz LIAWSRHIPNCTAO-IBGZPJMESA-N 1 3 338.455 2.569 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418570023 245198098 /nfs/dbraw/zinc/19/80/98/245198098.db2.gz CREFYDYHVSJEAZ-ZWKOTPCHSA-N 1 3 332.492 2.550 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418675884 245240711 /nfs/dbraw/zinc/24/07/11/245240711.db2.gz RMQFQSFLBSZBQI-KRWDZBQOSA-N 1 3 346.519 2.810 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000418649749 245226157 /nfs/dbraw/zinc/22/61/57/245226157.db2.gz JNTJDQSEJSJFBL-IEBWSBKVSA-N 1 3 344.503 2.519 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000418655911 245229684 /nfs/dbraw/zinc/22/96/84/245229684.db2.gz RNWLOSSDJSGFEG-KVSKMBFKSA-N 1 3 346.519 2.763 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000418655911 245229690 /nfs/dbraw/zinc/22/96/90/245229690.db2.gz RNWLOSSDJSGFEG-KVSKMBFKSA-N 1 3 346.519 2.763 20 0 EFADHO CC(C)N1CCC([NH2+][C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000419144718 245344458 /nfs/dbraw/zinc/34/44/58/245344458.db2.gz PALAPWUHGNYKGT-BEFAXECRSA-N 1 3 347.478 2.950 20 0 EFADHO [NH3+]CCCOC1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420297682 245595174 /nfs/dbraw/zinc/59/51/74/245595174.db2.gz ZCSNAGSTBWKNMX-UHFFFAOYSA-N 1 3 330.831 2.688 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334351 245626632 /nfs/dbraw/zinc/62/66/32/245626632.db2.gz GGVMQKYIGWORLU-UXHICEINSA-N 1 3 343.515 2.529 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420341946 245632051 /nfs/dbraw/zinc/63/20/51/245632051.db2.gz OYYAICUFGJXUGZ-IRFCIJBXSA-N 1 3 341.499 2.575 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000111546047 220164929 /nfs/dbraw/zinc/16/49/29/220164929.db2.gz WGZFIAUZCTUWRE-KRWDZBQOSA-N 1 3 343.515 2.540 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000363569637 296207949 /nfs/dbraw/zinc/20/79/49/296207949.db2.gz PQQOKCAGSWVTAW-IBGZPJMESA-N 1 3 327.472 2.593 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](N2CCCC2)C1 ZINC000365137551 296208024 /nfs/dbraw/zinc/20/80/24/296208024.db2.gz YONQDENBGVUDDF-HXUWFJFHSA-N 1 3 341.499 2.983 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000421824319 246129775 /nfs/dbraw/zinc/12/97/75/246129775.db2.gz IBONUIANXAYCGA-CJNGLKHVSA-N 1 3 328.859 2.847 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422143880 246270253 /nfs/dbraw/zinc/27/02/53/246270253.db2.gz QHMZTLMZOFDUOE-OALUTQOASA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422143880 246270258 /nfs/dbraw/zinc/27/02/58/246270258.db2.gz QHMZTLMZOFDUOE-OALUTQOASA-N 1 3 346.519 2.587 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000422137155 246266071 /nfs/dbraw/zinc/26/60/71/246266071.db2.gz PHUAEJQZFDANDK-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000422137155 246266075 /nfs/dbraw/zinc/26/60/75/246266075.db2.gz PHUAEJQZFDANDK-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1C[C@H](C)N(Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C[NH3+] ZINC000422565361 246385346 /nfs/dbraw/zinc/38/53/46/246385346.db2.gz YSGWSZCPFDKFIK-SOLBZPMBSA-N 1 3 342.487 2.804 20 0 EFADHO C[C@@H]1C[C@@H](C)N(Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C[NH3+] ZINC000422565359 246386136 /nfs/dbraw/zinc/38/61/36/246386136.db2.gz YSGWSZCPFDKFIK-NUJGCVRESA-N 1 3 342.487 2.804 20 0 EFADHO C[C@H]1CCNCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000422755054 246446352 /nfs/dbraw/zinc/44/63/52/246446352.db2.gz FHQJCIXUKDYHFR-QFBILLFUSA-N 1 3 329.488 2.517 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000422904414 246505785 /nfs/dbraw/zinc/50/57/85/246505785.db2.gz XKJAAKOCHLRHGD-VAMGGRTRSA-N 1 3 328.504 2.556 20 0 EFADHO O=C(C1CCC1)N(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1CC1 ZINC000422959462 246525796 /nfs/dbraw/zinc/52/57/96/246525796.db2.gz SCUNDDAHAKLVFY-IPMKNSEASA-N 1 3 333.520 2.678 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890433 246501537 /nfs/dbraw/zinc/50/15/37/246501537.db2.gz SCQFBHCSAPWJJE-JQHSSLGASA-N 1 3 348.487 2.765 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1C(F)(F)F ZINC000422987039 246534756 /nfs/dbraw/zinc/53/47/56/246534756.db2.gz DYLNRPMFNUQRSK-NTQSIJHJSA-N 1 3 342.405 2.729 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](CC)c2c(C)noc2C)CC[NH2+]CC1 ZINC000423018780 246543523 /nfs/dbraw/zinc/54/35/23/246543523.db2.gz ZSOXIPFRYQHNCA-HUUCEWRRSA-N 1 3 337.464 2.654 20 0 EFADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000423028223 246545974 /nfs/dbraw/zinc/54/59/74/246545974.db2.gz SIOPUNPHDUIAHH-ZEPSKSRBSA-N 1 3 339.842 2.692 20 0 EFADHO O=C1[C@@H](N[C@H]2CCC[NH2+]CC2)CCN1c1ccc(Cl)cc1Cl ZINC000423066419 246560766 /nfs/dbraw/zinc/56/07/66/246560766.db2.gz DMSUJGCMBVCCHJ-JSGCOSHPSA-N 1 3 342.270 2.830 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067958 246561582 /nfs/dbraw/zinc/56/15/82/246561582.db2.gz IXHBMYYAAXYLMT-ZWNOBZJWSA-N 1 3 330.259 2.816 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)C2 ZINC000423402512 246627307 /nfs/dbraw/zinc/62/73/07/246627307.db2.gz YFKSIZLXDVHZGH-RRQGHBQHSA-N 1 3 341.421 2.654 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC[C@@H](C(=O)OC)c2ccccc2)[C@@H](C)C1 ZINC000425414226 247076255 /nfs/dbraw/zinc/07/62/55/247076255.db2.gz ICWXYGXDGZWPCS-UHOSZYNNSA-N 1 3 332.488 2.995 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC[C@@H](C(=O)OC)c2ccccc2)[C@@H](C)C1 ZINC000425414226 247076257 /nfs/dbraw/zinc/07/62/57/247076257.db2.gz ICWXYGXDGZWPCS-UHOSZYNNSA-N 1 3 332.488 2.995 20 0 EFADHO Cc1cccnc1C(C)(C)CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425895302 247208851 /nfs/dbraw/zinc/20/88/51/247208851.db2.gz ISFBASFAAVOIPL-UHFFFAOYSA-N 1 3 328.460 2.912 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425952480 247216758 /nfs/dbraw/zinc/21/67/58/247216758.db2.gz PGCQZTWKXVVEOL-OLZOCXBDSA-N 1 3 341.883 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H](C)C[NH+](C)C ZINC000425952480 247216762 /nfs/dbraw/zinc/21/67/62/247216762.db2.gz PGCQZTWKXVVEOL-OLZOCXBDSA-N 1 3 341.883 2.853 20 0 EFADHO CC[C@@]1(CO)CCCN(CC(C)C[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000426458731 247282060 /nfs/dbraw/zinc/28/20/60/247282060.db2.gz KFMZWJGPPYCYSS-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@@]1(CO)CCCN(CC(C)C[N@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000426458731 247282064 /nfs/dbraw/zinc/28/20/64/247282064.db2.gz KFMZWJGPPYCYSS-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427286271 247334241 /nfs/dbraw/zinc/33/42/41/247334241.db2.gz DTCDMARUVMIEEC-AOIWGVFYSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427299828 247334756 /nfs/dbraw/zinc/33/47/56/247334756.db2.gz QSVADLLBRGDRSR-WSTZPKSXSA-N 1 3 343.515 2.936 20 0 EFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265278286 247364410 /nfs/dbraw/zinc/36/44/10/247364410.db2.gz HZHBRMQGJLVEKM-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265278286 247364413 /nfs/dbraw/zinc/36/44/13/247364413.db2.gz HZHBRMQGJLVEKM-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CSc1cc2c(cc1CN1CCC3(CC[NH2+]C3)CC1)OCCO2 ZINC000430927472 247850190 /nfs/dbraw/zinc/85/01/90/247850190.db2.gz QWDUAIUMFJHPDJ-UHFFFAOYSA-N 1 3 334.485 2.755 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000261613133 284581302 /nfs/dbraw/zinc/58/13/02/284581302.db2.gz FBFUMQUALDDEDV-VQIMIIECSA-N 1 3 331.504 2.903 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433913561 248101621 /nfs/dbraw/zinc/10/16/21/248101621.db2.gz DLZZXYQFXRANMK-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000433913561 248101625 /nfs/dbraw/zinc/10/16/25/248101625.db2.gz DLZZXYQFXRANMK-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000434355222 248145863 /nfs/dbraw/zinc/14/58/63/248145863.db2.gz LWHRKISSLANBOE-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000435376578 248232892 /nfs/dbraw/zinc/23/28/92/248232892.db2.gz RVBVQFFCHDHWSA-SFHVURJKSA-N 1 3 344.547 2.648 20 0 EFADHO COc1ccc(OCc2ccccn2)c(CN2CCC(C[NH3+])CC2)c1 ZINC000435373464 248233198 /nfs/dbraw/zinc/23/31/98/248233198.db2.gz NMMZHVMSKGNQSJ-UHFFFAOYSA-N 1 3 341.455 2.840 20 0 EFADHO CCOC(=O)COc1ccc(CN(CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435387933 248234777 /nfs/dbraw/zinc/23/47/77/248234777.db2.gz CCLDSKGBGMTSOR-QGZVFWFLSA-N 1 3 334.460 2.593 20 0 EFADHO C[C@@H](C(=O)NCC[NH2+]C(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC000439491967 249832347 /nfs/dbraw/zinc/83/23/47/249832347.db2.gz FQFZVFMMHCQEBO-KRWDZBQOSA-N 1 3 345.531 2.834 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1(C)C ZINC000441336545 250019183 /nfs/dbraw/zinc/01/91/83/250019183.db2.gz BKFQNQKCZSISNE-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO COc1cc(CN2CCC(CC[NH+](C)C)CC2)cc(OC)c1OC ZINC000092381273 218137982 /nfs/dbraw/zinc/13/79/82/218137982.db2.gz UFVJTVUZXDQYKF-UHFFFAOYSA-N 1 3 336.476 2.876 20 0 EFADHO CCN(CC)C(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821461 218172103 /nfs/dbraw/zinc/17/21/03/218172103.db2.gz QZEXAUFLUBIOQD-KRWDZBQOSA-N 1 3 346.519 2.877 20 0 EFADHO CC[C@H](C)NC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820984 218172503 /nfs/dbraw/zinc/17/25/03/218172503.db2.gz BSOGNSOMZPKDKV-DLBZAZTESA-N 1 3 346.519 2.923 20 0 EFADHO CSc1ccccc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000442799733 250120904 /nfs/dbraw/zinc/12/09/04/250120904.db2.gz ZRDWHXMMIMLZGN-LSDHHAIUSA-N 1 3 335.517 2.647 20 0 EFADHO C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443233150 250174470 /nfs/dbraw/zinc/17/44/70/250174470.db2.gz ZWVAGNGDLVRADN-SJLPKXTDSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443060724 250154579 /nfs/dbraw/zinc/15/45/79/250154579.db2.gz PSUBMOYKBKNMIM-KBPBESRZSA-N 1 3 339.430 2.545 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057871 250156088 /nfs/dbraw/zinc/15/60/88/250156088.db2.gz IMLMSQWPCJHDDN-CHWSQXEVSA-N 1 3 341.402 2.676 20 0 EFADHO CCN(C(=O)CN1CCC[C@H](CC[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000443072001 250156625 /nfs/dbraw/zinc/15/66/25/250156625.db2.gz NGCISCUDMODHKV-HZPDHXFCSA-N 1 3 335.467 2.796 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443066099 250157710 /nfs/dbraw/zinc/15/77/10/250157710.db2.gz DJZITMAMWCEQAP-BQFCYCMXSA-N 1 3 331.504 2.876 20 0 EFADHO COc1cc(CN2CCC(CCC[NH+](C)C)CC2)cc2c1OCO2 ZINC000093688302 218242643 /nfs/dbraw/zinc/24/26/43/218242643.db2.gz JEYRDYDEYYFEGV-UHFFFAOYSA-N 1 3 334.460 2.978 20 0 EFADHO CC(=O)Nc1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735169 218244872 /nfs/dbraw/zinc/24/48/72/218244872.db2.gz YVIIZVHGQHFLOI-UHFFFAOYSA-N 1 3 345.487 2.722 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443959624 250242035 /nfs/dbraw/zinc/24/20/35/250242035.db2.gz IBPNNJVZZZEXMV-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO [NH3+]CCCn1ccc2cc(C(=O)NCc3ccc4c(c3)CNC4)ccc21 ZINC000444250095 250277581 /nfs/dbraw/zinc/27/75/81/250277581.db2.gz RFLGKUMWBSIFAO-UHFFFAOYSA-N 1 3 348.450 2.523 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000444024747 250251386 /nfs/dbraw/zinc/25/13/86/250251386.db2.gz YAYJBOWPJMYQBU-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+](CC)CC ZINC000444461434 250302646 /nfs/dbraw/zinc/30/26/46/250302646.db2.gz SIASFWICMQUQTA-LJQANCHMSA-N 1 3 347.503 2.702 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000444886660 250362577 /nfs/dbraw/zinc/36/25/77/250362577.db2.gz QCAOSGKATLWIQT-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000236821506 284767151 /nfs/dbraw/zinc/76/71/51/284767151.db2.gz IRACAUFGIWGRCQ-AWEZNQCLSA-N 1 3 331.382 2.553 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CC)[C@H](O)CC)CC1 ZINC000449638379 251088121 /nfs/dbraw/zinc/08/81/21/251088121.db2.gz KKRYKXOGELSREO-AZUAARDMSA-N 1 3 333.520 2.858 20 0 EFADHO CCc1cc(NCc2ccccc2CN2CCC(O)CC2)cc[nH+]1 ZINC000450359132 251358593 /nfs/dbraw/zinc/35/85/93/251358593.db2.gz VCNLPAHIAIKWEY-UHFFFAOYSA-N 1 3 325.456 2.635 20 0 EFADHO CO[C@@H](C)[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000268726329 252175134 /nfs/dbraw/zinc/17/51/34/252175134.db2.gz AVEJTVHTQNLSTH-OALUTQOASA-N 1 3 333.520 2.910 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000268742187 252192347 /nfs/dbraw/zinc/19/23/47/252192347.db2.gz DKUYBYITLOWPSM-FQEVSTJZSA-N 1 3 331.504 2.688 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]CC(C)(C)CN(C)C)cc1OC ZINC000268753165 252203584 /nfs/dbraw/zinc/20/35/84/252203584.db2.gz WAINAMRTKPVMEE-HNNXBMFYSA-N 1 3 338.492 2.959 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)N(C)C ZINC000454321320 252214513 /nfs/dbraw/zinc/21/45/13/252214513.db2.gz SPUUVDFLCKRTEO-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N(C)C ZINC000454321320 252214518 /nfs/dbraw/zinc/21/45/18/252214518.db2.gz SPUUVDFLCKRTEO-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[N@H+](C)CCCN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772286 252221431 /nfs/dbraw/zinc/22/14/31/252221431.db2.gz QDRLISAFAVBAPV-ZDUSSCGKSA-N 1 3 326.872 2.772 20 0 EFADHO CC(C)[N@@H+](C)CCCN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772286 252221435 /nfs/dbraw/zinc/22/14/35/252221435.db2.gz QDRLISAFAVBAPV-ZDUSSCGKSA-N 1 3 326.872 2.772 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772286 252221440 /nfs/dbraw/zinc/22/14/40/252221440.db2.gz QDRLISAFAVBAPV-ZDUSSCGKSA-N 1 3 326.872 2.772 20 0 EFADHO C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787780 252237790 /nfs/dbraw/zinc/23/77/90/252237790.db2.gz WKZKGEWUIPWWBS-INIZCTEOSA-N 1 3 342.487 2.939 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000268777974 252229670 /nfs/dbraw/zinc/22/96/70/252229670.db2.gz OMQRDXJOMIBXNQ-NHCUHLMSSA-N 1 3 327.516 2.910 20 0 EFADHO CO[C@@H](C)[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268780843 252230705 /nfs/dbraw/zinc/23/07/05/252230705.db2.gz DDIMJBXNYLBUOO-OALUTQOASA-N 1 3 333.520 2.597 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CCCC1 ZINC000268805420 252259040 /nfs/dbraw/zinc/25/90/40/252259040.db2.gz CJDKCWHCEDPENO-CZUORRHYSA-N 1 3 344.377 2.619 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000268848816 252296566 /nfs/dbraw/zinc/29/65/66/252296566.db2.gz GUQMGDYCCBIFPV-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848816 252296568 /nfs/dbraw/zinc/29/65/68/252296568.db2.gz GUQMGDYCCBIFPV-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268848816 252296573 /nfs/dbraw/zinc/29/65/73/252296573.db2.gz GUQMGDYCCBIFPV-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000268825445 252276222 /nfs/dbraw/zinc/27/62/22/252276222.db2.gz IUPQRCLWVOFIJA-CVEARBPZSA-N 1 3 341.293 2.947 20 0 EFADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000268828929 252278751 /nfs/dbraw/zinc/27/87/51/252278751.db2.gz LTYFLJGEBZYYNK-YTQUADARSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000268828929 252278754 /nfs/dbraw/zinc/27/87/54/252278754.db2.gz LTYFLJGEBZYYNK-YTQUADARSA-N 1 3 331.504 2.838 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)N(C)C ZINC000454518552 252291575 /nfs/dbraw/zinc/29/15/75/252291575.db2.gz XSGVVRREHPQSKK-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000268848820 252297604 /nfs/dbraw/zinc/29/76/04/252297604.db2.gz GUQMGDYCCBIFPV-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848820 252297606 /nfs/dbraw/zinc/29/76/06/252297606.db2.gz GUQMGDYCCBIFPV-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268848820 252297608 /nfs/dbraw/zinc/29/76/08/252297608.db2.gz GUQMGDYCCBIFPV-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H](CN[C@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000268877838 252325397 /nfs/dbraw/zinc/32/53/97/252325397.db2.gz QQSUROHUZPRQCC-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)CN1CCCC1 ZINC000268877838 252325399 /nfs/dbraw/zinc/32/53/99/252325399.db2.gz QQSUROHUZPRQCC-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418701688 285099220 /nfs/dbraw/zinc/09/92/20/285099220.db2.gz PWAQBGWSXIZHFX-INIZCTEOSA-N 1 3 334.508 2.797 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000347002879 285097912 /nfs/dbraw/zinc/09/79/12/285097912.db2.gz DZZSYMLDEMEBKR-FQEVSTJZSA-N 1 3 341.499 2.980 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000347002879 285097914 /nfs/dbraw/zinc/09/79/14/285097914.db2.gz DZZSYMLDEMEBKR-FQEVSTJZSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)c2)CCO1 ZINC000153477671 224111031 /nfs/dbraw/zinc/11/10/31/224111031.db2.gz JQYHUSKRVVVENN-BMQTXXJKSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477671 224111033 /nfs/dbraw/zinc/11/10/33/224111033.db2.gz JQYHUSKRVVVENN-BMQTXXJKSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477671 224111036 /nfs/dbraw/zinc/11/10/36/224111036.db2.gz JQYHUSKRVVVENN-BMQTXXJKSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000339748121 296390081 /nfs/dbraw/zinc/39/00/81/296390081.db2.gz NENOERREAFFESU-YQVWRLOYSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000154273811 224230261 /nfs/dbraw/zinc/23/02/61/224230261.db2.gz ZUESDMGBMQQHAO-XQQFMLRXSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000154273811 224230262 /nfs/dbraw/zinc/23/02/62/224230262.db2.gz ZUESDMGBMQQHAO-XQQFMLRXSA-N 1 3 347.286 2.805 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341042319 285257538 /nfs/dbraw/zinc/25/75/38/285257538.db2.gz BJZYYGJGARRXHE-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000341042319 285257542 /nfs/dbraw/zinc/25/75/42/285257542.db2.gz BJZYYGJGARRXHE-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(F)(F)F ZINC000356042342 285276399 /nfs/dbraw/zinc/27/63/99/285276399.db2.gz HVQARIIMYZIDHN-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCCC(F)(F)F ZINC000356042342 285276400 /nfs/dbraw/zinc/27/64/00/285276400.db2.gz HVQARIIMYZIDHN-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(COC)cc1 ZINC000349065098 285281894 /nfs/dbraw/zinc/28/18/94/285281894.db2.gz XJWJHCUNVNIDDO-FQEVSTJZSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(COC)cc1 ZINC000349065098 285281896 /nfs/dbraw/zinc/28/18/96/285281896.db2.gz XJWJHCUNVNIDDO-FQEVSTJZSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1OC ZINC000349039446 285282799 /nfs/dbraw/zinc/28/27/99/285282799.db2.gz XPDXIPREOXJRQL-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1OC ZINC000349039446 285282800 /nfs/dbraw/zinc/28/28/00/285282800.db2.gz XPDXIPREOXJRQL-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000118772812 221180633 /nfs/dbraw/zinc/18/06/33/221180633.db2.gz SWMPJGXSSMJUJA-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181947227 285335811 /nfs/dbraw/zinc/33/58/11/285335811.db2.gz WAAIMZMTAJVBOK-CRAIPNDOSA-N 1 3 335.467 2.655 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181947264 285336183 /nfs/dbraw/zinc/33/61/83/285336183.db2.gz WAAIMZMTAJVBOK-QAPCUYQASA-N 1 3 335.467 2.655 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)[C@H](C)C1 ZINC000158563678 285376606 /nfs/dbraw/zinc/37/66/06/285376606.db2.gz TZSFVANMNIXHKN-AHRSYUTCSA-N 1 3 349.494 2.519 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000361692237 285388102 /nfs/dbraw/zinc/38/81/02/285388102.db2.gz JVBMQZVMWSXLIS-NEWSRXKRSA-N 1 3 346.519 2.804 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000361692237 285388103 /nfs/dbraw/zinc/38/81/03/285388103.db2.gz JVBMQZVMWSXLIS-NEWSRXKRSA-N 1 3 346.519 2.804 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@H]1C ZINC000361767021 285388130 /nfs/dbraw/zinc/38/81/30/285388130.db2.gz AURZYTXZFBAPIJ-SQNIBIBYSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@H]1C ZINC000361767021 285388131 /nfs/dbraw/zinc/38/81/31/285388131.db2.gz AURZYTXZFBAPIJ-SQNIBIBYSA-N 1 3 338.540 2.621 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000132866981 533297426 /nfs/dbraw/zinc/29/74/26/533297426.db2.gz KPCQJUZRTQHNAY-MGPUTAFESA-N 1 3 330.472 2.773 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc(OC)n2)CC1 ZINC000179677082 533313135 /nfs/dbraw/zinc/31/31/35/533313135.db2.gz XFNSKFFWBIPRDV-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc(OC)n2)CC1 ZINC000179677082 533313142 /nfs/dbraw/zinc/31/31/42/533313142.db2.gz XFNSKFFWBIPRDV-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000163928623 533378366 /nfs/dbraw/zinc/37/83/66/533378366.db2.gz XCJOZUPHJRSENW-TZIWHRDSSA-N 1 3 345.531 2.599 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000164577652 533604900 /nfs/dbraw/zinc/60/49/00/533604900.db2.gz LKVNELMNOAUCTI-RHSMWYFYSA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000164577652 533604905 /nfs/dbraw/zinc/60/49/05/533604905.db2.gz LKVNELMNOAUCTI-RHSMWYFYSA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166412564 533605115 /nfs/dbraw/zinc/60/51/15/533605115.db2.gz ZTDKROBADQXZJF-GOSISDBHSA-N 1 3 349.544 2.759 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164562956 533605288 /nfs/dbraw/zinc/60/52/88/533605288.db2.gz FQNGQAZMNHFJNZ-QGZVFWFLSA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000164563085 533648443 /nfs/dbraw/zinc/64/84/43/533648443.db2.gz FQNGQAZMNHFJNZ-KRWDZBQOSA-N 1 3 335.517 2.937 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3nccn3C)CC2)cc1 ZINC000182679738 141375783 /nfs/dbraw/zinc/37/57/83/141375783.db2.gz NRPDIWIOUKDKIP-MRXNPFEDSA-N 1 3 342.487 2.992 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC(C)CC1 ZINC000342981507 141916343 /nfs/dbraw/zinc/91/63/43/141916343.db2.gz SDGJYXOFUAKZHH-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC(C)CC1 ZINC000342981507 141916344 /nfs/dbraw/zinc/91/63/44/141916344.db2.gz SDGJYXOFUAKZHH-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000344788814 142078589 /nfs/dbraw/zinc/07/85/89/142078589.db2.gz FWYHCSMKPASQMG-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000346178260 142162013 /nfs/dbraw/zinc/16/20/13/142162013.db2.gz FHTBRYCWASGNSW-MKXGPGLRSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000346178260 142162014 /nfs/dbraw/zinc/16/20/14/142162014.db2.gz FHTBRYCWASGNSW-MKXGPGLRSA-N 1 3 335.536 2.972 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000346203658 142166460 /nfs/dbraw/zinc/16/64/60/142166460.db2.gz RQYROOIJLPNHMX-RDJZCZTQSA-N 1 3 334.460 2.642 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000346203654 142166691 /nfs/dbraw/zinc/16/66/91/142166691.db2.gz RQYROOIJLPNHMX-DOTOQJQBSA-N 1 3 334.460 2.642 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000346255384 142177544 /nfs/dbraw/zinc/17/75/44/142177544.db2.gz CRFSHAKEBXIQQM-RCCFBDPRSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346272969 142181207 /nfs/dbraw/zinc/18/12/07/142181207.db2.gz FZKLGQAJELIOJE-QRQLOZEOSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346272962 142181216 /nfs/dbraw/zinc/18/12/16/142181216.db2.gz FZKLGQAJELIOJE-NEWSRXKRSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347456003 142219360 /nfs/dbraw/zinc/21/93/60/142219360.db2.gz VRFIPDXKYLRRRK-IRXDYDNUSA-N 1 3 344.503 2.629 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCc3ccccc3F)CC2)CC1 ZINC000347464308 142221177 /nfs/dbraw/zinc/22/11/77/142221177.db2.gz IEGBZMKTUMKLNI-UHFFFAOYSA-N 1 3 333.495 2.718 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000347514333 142229201 /nfs/dbraw/zinc/22/92/01/142229201.db2.gz FSZFPIMQYHHEOC-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000347514333 142229202 /nfs/dbraw/zinc/22/92/02/142229202.db2.gz FSZFPIMQYHHEOC-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C(C)C ZINC000347667667 142253760 /nfs/dbraw/zinc/25/37/60/142253760.db2.gz KWTQCGSLIALHNI-QZTJIDSGSA-N 1 3 340.556 2.915 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)CNC2 ZINC000347674643 142254565 /nfs/dbraw/zinc/25/45/65/142254565.db2.gz NNSLXSSKKPXEIR-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000347684350 142256117 /nfs/dbraw/zinc/25/61/17/142256117.db2.gz FEJBAYSCXUFCKF-IBGZPJMESA-N 1 3 347.462 2.960 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347887510 142287370 /nfs/dbraw/zinc/28/73/70/142287370.db2.gz GCZKBQDAWPMCHT-WSTZPKSXSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347887510 142287371 /nfs/dbraw/zinc/28/73/71/142287371.db2.gz GCZKBQDAWPMCHT-WSTZPKSXSA-N 1 3 343.515 2.982 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1C ZINC000347915373 142292227 /nfs/dbraw/zinc/29/22/27/142292227.db2.gz CUMRXOVDOMOWTK-IYBDPMFKSA-N 1 3 335.492 2.659 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1C ZINC000347915373 142292228 /nfs/dbraw/zinc/29/22/28/142292228.db2.gz CUMRXOVDOMOWTK-IYBDPMFKSA-N 1 3 335.492 2.659 20 0 EFADHO C[C@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000349318242 142320116 /nfs/dbraw/zinc/32/01/16/142320116.db2.gz QZLSECVANBASIC-KRWDZBQOSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@H]1CN(Cc2ccc3ncccc3c2)CC[N@H+]1C1CCN(C)CC1 ZINC000349318242 142320117 /nfs/dbraw/zinc/32/01/17/142320117.db2.gz QZLSECVANBASIC-KRWDZBQOSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@H]1CN(Cc2ccc3ncccc3c2)CCN1C1CC[NH+](C)CC1 ZINC000349318242 142320118 /nfs/dbraw/zinc/32/01/18/142320118.db2.gz QZLSECVANBASIC-KRWDZBQOSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349412232 142328528 /nfs/dbraw/zinc/32/85/28/142328528.db2.gz YFMCCWOAOLIUJV-OKCRPCIYSA-N 1 3 349.563 2.682 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349412232 142328529 /nfs/dbraw/zinc/32/85/29/142328529.db2.gz YFMCCWOAOLIUJV-OKCRPCIYSA-N 1 3 349.563 2.682 20 0 EFADHO Cc1ccc2[nH]c(C[NH2+]C3CCN(CCN(C)C)CC3)cc2c1C ZINC000349616777 142340613 /nfs/dbraw/zinc/34/06/13/142340613.db2.gz WXZQLOSHHCTNFY-UHFFFAOYSA-N 1 3 328.504 2.900 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000349752275 142354788 /nfs/dbraw/zinc/35/47/88/142354788.db2.gz ABUBQHJCJJLHRJ-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000349752275 142354789 /nfs/dbraw/zinc/35/47/89/142354789.db2.gz ABUBQHJCJJLHRJ-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000349868166 142370304 /nfs/dbraw/zinc/37/03/04/142370304.db2.gz LYRQUMCJAILEPF-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000349881111 142372280 /nfs/dbraw/zinc/37/22/80/142372280.db2.gz RMPSLMKVZNHXMW-DLBZAZTESA-N 1 3 334.508 2.536 20 0 EFADHO CC(C)OCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349882707 142373251 /nfs/dbraw/zinc/37/32/51/142373251.db2.gz NCESCPPXQPSMOJ-WOJBJXKFSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)OCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349882707 142373253 /nfs/dbraw/zinc/37/32/53/142373253.db2.gz NCESCPPXQPSMOJ-WOJBJXKFSA-N 1 3 334.504 2.616 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000349979082 142386527 /nfs/dbraw/zinc/38/65/27/142386527.db2.gz VRSJQZPWKRKOGC-AZUAARDMSA-N 1 3 337.552 2.541 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000349979082 142386528 /nfs/dbraw/zinc/38/65/28/142386528.db2.gz VRSJQZPWKRKOGC-AZUAARDMSA-N 1 3 337.552 2.541 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000339916640 144880253 /nfs/dbraw/zinc/88/02/53/144880253.db2.gz JPRNFSITCRAIQS-IBGZPJMESA-N 1 3 346.519 2.581 20 0 EFADHO Cc1cnc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1C ZINC000341297110 145028736 /nfs/dbraw/zinc/02/87/36/145028736.db2.gz YHHKBCXDJZXPSJ-UHFFFAOYSA-N 1 3 342.487 2.535 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000341357691 145038715 /nfs/dbraw/zinc/03/87/15/145038715.db2.gz BESRUZWXBCXGOL-ROUUACIJSA-N 1 3 346.519 2.681 20 0 EFADHO FC(F)CN1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000341406293 145047172 /nfs/dbraw/zinc/04/71/72/145047172.db2.gz UNNSHHUJHQFJNG-UHFFFAOYSA-N 1 3 338.446 2.617 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000342112413 145064342 /nfs/dbraw/zinc/06/43/42/145064342.db2.gz VXRSFPOSSSKPGN-GVDBMIGSSA-N 1 3 326.444 2.728 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]21 ZINC000342138635 145068770 /nfs/dbraw/zinc/06/87/70/145068770.db2.gz NNPJQIJWHCVJJQ-VNQPRFMTSA-N 1 3 346.862 2.992 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]21 ZINC000342138612 145068797 /nfs/dbraw/zinc/06/87/97/145068797.db2.gz NNPJQIJWHCVJJQ-CWRNSKLLSA-N 1 3 346.862 2.992 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]21 ZINC000342147736 145071167 /nfs/dbraw/zinc/07/11/67/145071167.db2.gz UXOASECERANCNN-YYQUZTFQSA-N 1 3 333.863 2.505 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342699157 145174809 /nfs/dbraw/zinc/17/48/09/145174809.db2.gz VDFQLNGNELRQGN-BXWFABGCSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342756406 145186171 /nfs/dbraw/zinc/18/61/71/145186171.db2.gz SBYBVDZPSDNOOA-QGZVFWFLSA-N 1 3 343.515 2.690 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000343567408 145240148 /nfs/dbraw/zinc/24/01/48/145240148.db2.gz LLUWZOOBYDWFMP-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000343567408 145240150 /nfs/dbraw/zinc/24/01/50/145240150.db2.gz LLUWZOOBYDWFMP-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H]1C[N@H+](Cc2ccccc2N2CCN(CC)CC2)CCCO1 ZINC000343677995 145269088 /nfs/dbraw/zinc/26/90/88/145269088.db2.gz MYQZIQSXMNGYHL-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CC[C@H]1C[N@@H+](Cc2ccccc2N2CCN(CC)CC2)CCCO1 ZINC000343677995 145269089 /nfs/dbraw/zinc/26/90/89/145269089.db2.gz MYQZIQSXMNGYHL-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000343764226 145289251 /nfs/dbraw/zinc/28/92/51/145289251.db2.gz KKHDDZBLPZBBIB-UHFFFAOYSA-N 1 3 339.483 2.866 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000343962683 145334203 /nfs/dbraw/zinc/33/42/03/145334203.db2.gz AYWXRBZZHIEPGI-UZLBHIALSA-N 1 3 343.471 2.888 20 0 EFADHO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000343978731 145337307 /nfs/dbraw/zinc/33/73/07/145337307.db2.gz LCDARMCGJMSXJF-QFBILLFUSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000343978731 145337309 /nfs/dbraw/zinc/33/73/09/145337309.db2.gz LCDARMCGJMSXJF-QFBILLFUSA-N 1 3 327.472 2.891 20 0 EFADHO CN(CCCN(C)Cc1cc(Cl)cc2c1OCC2)CC[NH+](C)C ZINC000344009597 145344575 /nfs/dbraw/zinc/34/45/75/145344575.db2.gz BDQVXDCUNNZOJL-UHFFFAOYSA-N 1 3 339.911 2.590 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)CCN(C)C)c2ccccc2n1 ZINC000344030168 145349983 /nfs/dbraw/zinc/34/99/83/145349983.db2.gz NYDVNDMWHKYJBX-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)CCN(C)C)c2ccccc2n1 ZINC000344030168 145349984 /nfs/dbraw/zinc/34/99/84/145349984.db2.gz NYDVNDMWHKYJBX-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000344088151 145365618 /nfs/dbraw/zinc/36/56/18/145365618.db2.gz NOWLTJWOVZPWOM-QGZVFWFLSA-N 1 3 335.492 2.824 20 0 EFADHO c1c(CCNC2CC[NH+](C3CCCCC3)CC2)nc2n1CCS2 ZINC000344097110 145367358 /nfs/dbraw/zinc/36/73/58/145367358.db2.gz HTBQUOYKPWOEQW-UHFFFAOYSA-N 1 3 334.533 2.918 20 0 EFADHO c1c(CC[NH2+]C2CCN(C3CCCCC3)CC2)nc2n1CCS2 ZINC000344097110 145367360 /nfs/dbraw/zinc/36/73/60/145367360.db2.gz HTBQUOYKPWOEQW-UHFFFAOYSA-N 1 3 334.533 2.918 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cc(C)ccc1OC ZINC000344163421 145382504 /nfs/dbraw/zinc/38/25/04/145382504.db2.gz ZXMXJOKDIXFDJI-UHFFFAOYSA-N 1 3 333.520 2.853 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cc(C)ccc1OC ZINC000344163421 145382507 /nfs/dbraw/zinc/38/25/07/145382507.db2.gz ZXMXJOKDIXFDJI-UHFFFAOYSA-N 1 3 333.520 2.853 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](OC)c1ccccc1 ZINC000344170094 145383841 /nfs/dbraw/zinc/38/38/41/145383841.db2.gz PTBYLXGRANBNHG-HXUWFJFHSA-N 1 3 333.520 2.724 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](OC)c1ccccc1 ZINC000344170094 145383842 /nfs/dbraw/zinc/38/38/42/145383842.db2.gz PTBYLXGRANBNHG-HXUWFJFHSA-N 1 3 333.520 2.724 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000348815291 146007244 /nfs/dbraw/zinc/00/72/44/146007244.db2.gz FJGOKNTVJJTUKM-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C/C=C\c1ccc(F)cc1F)CCN(C)C1CC[NH+](C)CC1 ZINC000349062095 146045494 /nfs/dbraw/zinc/04/54/94/146045494.db2.gz LPDFZWOYVZSSPE-PLNGDYQASA-N 1 3 337.458 2.936 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000349086620 146050598 /nfs/dbraw/zinc/05/05/98/146050598.db2.gz DUWDMPLSNLDOJG-VQTJNVASSA-N 1 3 345.531 2.930 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]12 ZINC000351496674 146131695 /nfs/dbraw/zinc/13/16/95/146131695.db2.gz RRYFLTQVFURGET-VHDGCEQUSA-N 1 3 332.835 2.602 20 0 EFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C12CCCN1CCC2 ZINC000351497647 146131840 /nfs/dbraw/zinc/13/18/40/146131840.db2.gz FFEWWUHCHCDJII-UHFFFAOYSA-N 1 3 333.520 2.920 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000351579030 146150559 /nfs/dbraw/zinc/15/05/59/146150559.db2.gz FCOGFEREXZZUDC-LUKYLMHMSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000351579030 146150561 /nfs/dbraw/zinc/15/05/61/146150561.db2.gz FCOGFEREXZZUDC-LUKYLMHMSA-N 1 3 348.491 2.635 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351608317 146158346 /nfs/dbraw/zinc/15/83/46/146158346.db2.gz ZHJBVBDWFRWFSS-WSTZPKSXSA-N 1 3 332.488 2.730 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000351608317 146158347 /nfs/dbraw/zinc/15/83/47/146158347.db2.gz ZHJBVBDWFRWFSS-WSTZPKSXSA-N 1 3 332.488 2.730 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000351734109 146190526 /nfs/dbraw/zinc/19/05/26/146190526.db2.gz MDCGLPHCJHMPGM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000351734109 146190527 /nfs/dbraw/zinc/19/05/27/146190527.db2.gz MDCGLPHCJHMPGM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351760459 146196551 /nfs/dbraw/zinc/19/65/51/146196551.db2.gz SXFBTHLWAJSONT-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351760459 146196553 /nfs/dbraw/zinc/19/65/53/146196553.db2.gz SXFBTHLWAJSONT-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO Cc1ccc(-c2noc(CCCN3CC[C@@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000351850592 146218278 /nfs/dbraw/zinc/21/82/78/146218278.db2.gz JFBRUHYGILPVRR-DZGCQCFKSA-N 1 3 332.423 2.786 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351876519 146224072 /nfs/dbraw/zinc/22/40/72/146224072.db2.gz FYKHROUNWSEVOQ-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351876519 146224073 /nfs/dbraw/zinc/22/40/73/146224073.db2.gz FYKHROUNWSEVOQ-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261775193 545620818 /nfs/dbraw/zinc/62/08/18/545620818.db2.gz OSHBRGYTACUMCC-HHXXYDBFSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352076872 146283626 /nfs/dbraw/zinc/28/36/26/146283626.db2.gz LXHIUAVNPFYINA-VQIMIIECSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000352086044 146286098 /nfs/dbraw/zinc/28/60/98/146286098.db2.gz YUCUZTWDYWZKGF-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353111726 146398859 /nfs/dbraw/zinc/39/88/59/146398859.db2.gz MXSMOZHEZSPVHA-QRQLOZEOSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353111726 146398861 /nfs/dbraw/zinc/39/88/61/146398861.db2.gz MXSMOZHEZSPVHA-QRQLOZEOSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353111730 146399349 /nfs/dbraw/zinc/39/93/49/146399349.db2.gz MXSMOZHEZSPVHA-UHOSZYNNSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353111730 146399353 /nfs/dbraw/zinc/39/93/53/146399353.db2.gz MXSMOZHEZSPVHA-UHOSZYNNSA-N 1 3 346.519 2.851 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2CN2CCCCC2)CCCC1 ZINC000356115271 147150795 /nfs/dbraw/zinc/15/07/95/147150795.db2.gz JANSNTYCWBRHQU-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCCCC1 ZINC000356275219 147196871 /nfs/dbraw/zinc/19/68/71/147196871.db2.gz DOJUVLXRIIKRNT-WMZOPIPTSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nc1 ZINC000356843564 147352111 /nfs/dbraw/zinc/35/21/11/147352111.db2.gz LQUJMLMGBCBCDL-VAMGGRTRSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000356843564 147352113 /nfs/dbraw/zinc/35/21/13/147352113.db2.gz LQUJMLMGBCBCDL-VAMGGRTRSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC000356843564 147352115 /nfs/dbraw/zinc/35/21/15/147352115.db2.gz LQUJMLMGBCBCDL-VAMGGRTRSA-N 1 3 336.483 2.828 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1)CC1CC1 ZINC000356895689 147365707 /nfs/dbraw/zinc/36/57/07/147365707.db2.gz QJMDPFQPZLLXKS-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1)CC1CC1 ZINC000356895689 147365709 /nfs/dbraw/zinc/36/57/09/147365709.db2.gz QJMDPFQPZLLXKS-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000359207710 148023750 /nfs/dbraw/zinc/02/37/50/148023750.db2.gz QRGIMFSQOFMCJZ-QFBILLFUSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000359207710 148023751 /nfs/dbraw/zinc/02/37/51/148023751.db2.gz QRGIMFSQOFMCJZ-QFBILLFUSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000359333136 148058746 /nfs/dbraw/zinc/05/87/46/148058746.db2.gz SDYRCMMHLYTCKI-HRCADAONSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359333136 148058748 /nfs/dbraw/zinc/05/87/48/148058748.db2.gz SDYRCMMHLYTCKI-HRCADAONSA-N 1 3 338.496 2.737 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000359604464 148136938 /nfs/dbraw/zinc/13/69/38/148136938.db2.gz WRLGKOSDUCTVPI-FGTMMUONSA-N 1 3 337.508 2.609 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCCC2)[C@H](C)C1 ZINC000359608026 148138112 /nfs/dbraw/zinc/13/81/12/148138112.db2.gz RQXDDYDWCBOEOJ-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000359648694 148151257 /nfs/dbraw/zinc/15/12/57/148151257.db2.gz JDKSYMMLRYIIEO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000359648694 148151258 /nfs/dbraw/zinc/15/12/58/148151258.db2.gz JDKSYMMLRYIIEO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO COCCN1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000359917919 148222742 /nfs/dbraw/zinc/22/27/42/148222742.db2.gz PCCNCSGQKLEACZ-SFHVURJKSA-N 1 3 335.492 2.507 20 0 EFADHO COCC[NH+]1CCC(NC[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000359917919 148222744 /nfs/dbraw/zinc/22/27/44/148222744.db2.gz PCCNCSGQKLEACZ-SFHVURJKSA-N 1 3 335.492 2.507 20 0 EFADHO COCCN1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000359937901 148227901 /nfs/dbraw/zinc/22/79/01/148227901.db2.gz JOADCEZAVORLAJ-UHFFFAOYSA-N 1 3 337.552 2.876 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000359943566 148230544 /nfs/dbraw/zinc/23/05/44/148230544.db2.gz QPHYMPIAJMBMFT-YRPNKDGESA-N 1 3 339.568 2.833 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](COC)CC(C)C)cc2)CC1 ZINC000360022856 148252495 /nfs/dbraw/zinc/25/24/95/148252495.db2.gz JDCGOVBAJDSDNG-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](COC)CC(C)C)cc2)CC1 ZINC000360022857 148252774 /nfs/dbraw/zinc/25/27/74/148252774.db2.gz JDCGOVBAJDSDNG-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000360137080 148281072 /nfs/dbraw/zinc/28/10/72/148281072.db2.gz RNPPABXVRQYGHF-SFHVURJKSA-N 1 3 348.535 2.797 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000360137080 148281073 /nfs/dbraw/zinc/28/10/73/148281073.db2.gz RNPPABXVRQYGHF-SFHVURJKSA-N 1 3 348.535 2.797 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000360154659 148285775 /nfs/dbraw/zinc/28/57/75/148285775.db2.gz UYOCSSXHPBIYPX-UFYCRDLUSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000360244060 148309408 /nfs/dbraw/zinc/30/94/08/148309408.db2.gz ZAEIJUWPXMFXQQ-JXFKEZNVSA-N 1 3 325.456 2.856 20 0 EFADHO COCC[NH+]1CCC(NCc2ccc(-c3ccncc3)cc2)CC1 ZINC000360245822 148310637 /nfs/dbraw/zinc/31/06/37/148310637.db2.gz QUWIOTLEWPLXMG-UHFFFAOYSA-N 1 3 325.456 2.949 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H](C)C1 ZINC000360339501 148336040 /nfs/dbraw/zinc/33/60/40/148336040.db2.gz UHYSCDQYNQIXTB-FPAYPSAMSA-N 1 3 331.504 2.820 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360363714 148341939 /nfs/dbraw/zinc/34/19/39/148341939.db2.gz ZYYLJVTWGMTWIC-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360363714 148341940 /nfs/dbraw/zinc/34/19/40/148341940.db2.gz ZYYLJVTWGMTWIC-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360547410 148389840 /nfs/dbraw/zinc/38/98/40/148389840.db2.gz RFNBNEIXDJPMAC-LXPRWKDFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360547410 148389842 /nfs/dbraw/zinc/38/98/42/148389842.db2.gz RFNBNEIXDJPMAC-LXPRWKDFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc(OCCN(C)C)c1 ZINC000363759068 149008509 /nfs/dbraw/zinc/00/85/09/149008509.db2.gz TYYCJTOSCAWWLN-WMLDXEAASA-N 1 3 328.460 2.558 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCC2 ZINC000363780269 149011738 /nfs/dbraw/zinc/01/17/38/149011738.db2.gz BWQQFMLAKXEDLL-OXJNMPFZSA-N 1 3 327.516 2.994 20 0 EFADHO Cc1ccccc1OCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000363799018 149013710 /nfs/dbraw/zinc/01/37/10/149013710.db2.gz YUZCRSNUGZDCFE-UHFFFAOYSA-N 1 3 345.531 2.723 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000363866049 149023494 /nfs/dbraw/zinc/02/34/94/149023494.db2.gz VNBAMDCEIVTPJX-ZWKOTPCHSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000363866049 149023495 /nfs/dbraw/zinc/02/34/95/149023495.db2.gz VNBAMDCEIVTPJX-ZWKOTPCHSA-N 1 3 343.515 2.854 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987876 149043012 /nfs/dbraw/zinc/04/30/12/149043012.db2.gz NOZHCWMHJJGLIK-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987876 149043013 /nfs/dbraw/zinc/04/30/13/149043013.db2.gz NOZHCWMHJJGLIK-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987875 149043055 /nfs/dbraw/zinc/04/30/55/149043055.db2.gz NOZHCWMHJJGLIK-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987875 149043057 /nfs/dbraw/zinc/04/30/57/149043057.db2.gz NOZHCWMHJJGLIK-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1ccc(N2CCC[C@@H](N3CCC(C[NH+](C)C)CC3)C2=O)cc1 ZINC000364276243 149113175 /nfs/dbraw/zinc/11/31/75/149113175.db2.gz UWZRMQBJSOLDBB-LJQANCHMSA-N 1 3 329.488 2.764 20 0 EFADHO COC1(C[NH2+]CC2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000365407433 149389480 /nfs/dbraw/zinc/38/94/80/149389480.db2.gz WRANJCZIJZUSAX-UHFFFAOYSA-N 1 3 338.517 2.745 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000367997841 150005368 /nfs/dbraw/zinc/00/53/68/150005368.db2.gz NNWKIAMVFJLPKN-KDOFPFPSSA-N 1 3 348.462 2.912 20 0 EFADHO NC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000368114134 150041761 /nfs/dbraw/zinc/04/17/61/150041761.db2.gz WICMGVYQPIPWEH-XUVXKRRUSA-N 1 3 337.467 2.592 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370636260 150638250 /nfs/dbraw/zinc/63/82/50/150638250.db2.gz RDXWUGDTAGYTSS-LAUBAEHRSA-N 1 3 343.515 2.831 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000372442773 151006991 /nfs/dbraw/zinc/00/69/91/151006991.db2.gz XYQHCHSNBZABEE-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CC(=O)N1CC[C@@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2C1 ZINC000373121648 151117720 /nfs/dbraw/zinc/11/77/20/151117720.db2.gz CQJMWONNAMZZON-HXUWFJFHSA-N 1 3 327.472 2.696 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000373989522 151263098 /nfs/dbraw/zinc/26/30/98/151263098.db2.gz JBRIFIYVPHYZFX-FXAWDEMLSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1c(-c2cc(CN3CCCC4(CC[NH+](C)CC4)C3)on2)cnn1C ZINC000374178146 151296100 /nfs/dbraw/zinc/29/61/00/151296100.db2.gz XVIKFYAQSJFRPA-UHFFFAOYSA-N 1 3 343.475 2.691 20 0 EFADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374175688 151296501 /nfs/dbraw/zinc/29/65/01/151296501.db2.gz RITNYCQKTRGZMT-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1cccc(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323301 151322946 /nfs/dbraw/zinc/32/29/46/151322946.db2.gz HFYTYXOVQNKGOI-RXVVDRJESA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323301 151322949 /nfs/dbraw/zinc/32/29/49/151322949.db2.gz HFYTYXOVQNKGOI-RXVVDRJESA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323301 151322951 /nfs/dbraw/zinc/32/29/51/151322951.db2.gz HFYTYXOVQNKGOI-RXVVDRJESA-N 1 3 345.531 2.586 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000374522954 151361542 /nfs/dbraw/zinc/36/15/42/151361542.db2.gz UOSAMFHGXSRDIK-MSOLQXFVSA-N 1 3 342.483 2.972 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000374522954 151361543 /nfs/dbraw/zinc/36/15/43/151361543.db2.gz UOSAMFHGXSRDIK-MSOLQXFVSA-N 1 3 342.483 2.972 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000374522956 151362991 /nfs/dbraw/zinc/36/29/91/151362991.db2.gz UOSAMFHGXSRDIK-ROUUACIJSA-N 1 3 342.483 2.972 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000374522956 151362993 /nfs/dbraw/zinc/36/29/93/151362993.db2.gz UOSAMFHGXSRDIK-ROUUACIJSA-N 1 3 342.483 2.972 20 0 EFADHO CN1CCN(CC2CC[NH+](CC(C)(C)c3ccccc3)CC2)CC1 ZINC000377631182 151910350 /nfs/dbraw/zinc/91/03/50/151910350.db2.gz WAIJWCUHARQHJC-UHFFFAOYSA-N 1 3 329.532 2.924 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C12CCCCC2 ZINC000362033252 286293358 /nfs/dbraw/zinc/29/33/58/286293358.db2.gz SXKQRNLWWOCAOR-DFQSSKMNSA-N 1 3 349.563 2.872 20 0 EFADHO C[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320553 152056462 /nfs/dbraw/zinc/05/64/62/152056462.db2.gz QDVWOWCHJHZEMR-YLJYHZDGSA-N 1 3 349.494 2.552 20 0 EFADHO C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C1=CCN(C)CC1 ZINC000378566192 152116526 /nfs/dbraw/zinc/11/65/26/152116526.db2.gz LAKUKDNYVJUBAD-MRXNPFEDSA-N 1 3 348.535 2.591 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311416 286357032 /nfs/dbraw/zinc/35/70/32/286357032.db2.gz VVBKLQDTFJXSKN-RXVVDRJESA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311416 286357036 /nfs/dbraw/zinc/35/70/36/286357036.db2.gz VVBKLQDTFJXSKN-RXVVDRJESA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000420311416 286357039 /nfs/dbraw/zinc/35/70/39/286357039.db2.gz VVBKLQDTFJXSKN-RXVVDRJESA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN[C@@H](C)[C@H]2COc3ccccc32)cc1 ZINC000420395224 286372401 /nfs/dbraw/zinc/37/24/01/286372401.db2.gz DECSOSGWOJVRHQ-ZSZQSSIHSA-N 1 3 326.440 2.892 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422760509 286373076 /nfs/dbraw/zinc/37/30/76/286373076.db2.gz QEPBPAAWVQSAJT-UXPWSPDFSA-N 1 3 331.504 2.810 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCn1cc(Br)cn1 ZINC000312433602 286891655 /nfs/dbraw/zinc/89/16/55/286891655.db2.gz IKPGNYHPWHXYCN-ZFWWWQNUSA-N 1 3 343.313 2.936 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000042341522 287031739 /nfs/dbraw/zinc/03/17/39/287031739.db2.gz HJPVXHCBLSYPOA-IUODEOHRSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890925 287271436 /nfs/dbraw/zinc/27/14/36/287271436.db2.gz PHTSENMNOLWAJR-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890925 287271438 /nfs/dbraw/zinc/27/14/38/287271438.db2.gz PHTSENMNOLWAJR-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000265629297 287275999 /nfs/dbraw/zinc/27/59/99/287275999.db2.gz IWQSQSFFHOZVBU-FWVUHSSSSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000265629297 287276001 /nfs/dbraw/zinc/27/60/01/287276001.db2.gz IWQSQSFFHOZVBU-FWVUHSSSSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000166565987 226163056 /nfs/dbraw/zinc/16/30/56/226163056.db2.gz OTFDADHUXONBMY-ONGXBYRLSA-N 1 3 340.467 2.936 20 0 EFADHO O=C(CC1CC[NH2+]CC1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000166704362 226165496 /nfs/dbraw/zinc/16/54/96/226165496.db2.gz SUPCSTMMHFWLEI-UHFFFAOYSA-N 1 3 347.528 2.606 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168507448 226218076 /nfs/dbraw/zinc/21/80/76/226218076.db2.gz MHZPWBDHWBCVEH-SZMVWBNQSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168507448 226218079 /nfs/dbraw/zinc/21/80/79/226218079.db2.gz MHZPWBDHWBCVEH-SZMVWBNQSA-N 1 3 349.544 2.578 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000123223892 222238229 /nfs/dbraw/zinc/23/82/29/222238229.db2.gz UTEWPXKPWPHMAI-UHFFFAOYSA-N 1 3 345.487 2.949 20 0 EFADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(-n2cnnn2)cc1 ZINC000123725692 222324314 /nfs/dbraw/zinc/32/43/14/222324314.db2.gz SWUNSGVBVKJNSH-OAHLLOKOSA-N 1 3 336.443 2.575 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123407041 222273006 /nfs/dbraw/zinc/27/30/06/222273006.db2.gz PWFLHJVMCXXIQT-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO Cn1ccc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000123424029 222275509 /nfs/dbraw/zinc/27/55/09/222275509.db2.gz LCNQOMUJNVLUEN-UHFFFAOYSA-N 1 3 340.515 2.713 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000123451692 222280081 /nfs/dbraw/zinc/28/00/81/222280081.db2.gz MRSSDQDXNLBHFG-GOSISDBHSA-N 1 3 338.467 2.619 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123552036 222296153 /nfs/dbraw/zinc/29/61/53/222296153.db2.gz HUIIWPUUTBDAJL-MRXNPFEDSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NCC[NH+]1CCCCCC1 ZINC000123948287 222355914 /nfs/dbraw/zinc/35/59/14/222355914.db2.gz UCNJIPRDBCCMFV-AWEZNQCLSA-N 1 3 338.883 2.918 20 0 EFADHO Cc1noc([C@@H]2CCCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)n1 ZINC000091832257 544537154 /nfs/dbraw/zinc/53/71/54/544537154.db2.gz HZDZJEJQJPANOI-QGZVFWFLSA-N 1 3 344.459 2.698 20 0 EFADHO CN(C)CCOc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093659925 544555252 /nfs/dbraw/zinc/55/52/52/544555252.db2.gz LMQSGUOWYXUQCP-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CN(C)CCOc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093659925 544555255 /nfs/dbraw/zinc/55/52/55/544555255.db2.gz LMQSGUOWYXUQCP-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093692876 544555597 /nfs/dbraw/zinc/55/55/97/544555597.db2.gz QSHHXADGPGBQTB-IBGZPJMESA-N 1 3 333.520 2.791 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCCCN1C ZINC000092692706 544550243 /nfs/dbraw/zinc/55/02/43/544550243.db2.gz FPAYLIOIFZGEKJ-LJQANCHMSA-N 1 3 344.503 2.631 20 0 EFADHO OCC[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093107593 544551158 /nfs/dbraw/zinc/55/11/58/544551158.db2.gz YERMMFXLFDDRDW-GOSISDBHSA-N 1 3 332.488 2.756 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000158936804 544790292 /nfs/dbraw/zinc/79/02/92/544790292.db2.gz JBAUGUNAHWMNNA-KRWDZBQOSA-N 1 3 347.503 2.747 20 0 EFADHO Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166467417 544851728 /nfs/dbraw/zinc/85/17/28/544851728.db2.gz NQADAFBJIYXVKB-WOJBJXKFSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166467417 544851732 /nfs/dbraw/zinc/85/17/32/544851732.db2.gz NQADAFBJIYXVKB-WOJBJXKFSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166467417 544851739 /nfs/dbraw/zinc/85/17/39/544851739.db2.gz NQADAFBJIYXVKB-WOJBJXKFSA-N 1 3 341.499 2.816 20 0 EFADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166395988 544852116 /nfs/dbraw/zinc/85/21/16/544852116.db2.gz HLMJLQPAEASZIP-IAGOWNOFSA-N 1 3 330.472 2.952 20 0 EFADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166395988 544852122 /nfs/dbraw/zinc/85/21/22/544852122.db2.gz HLMJLQPAEASZIP-IAGOWNOFSA-N 1 3 330.472 2.952 20 0 EFADHO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000180248940 544921713 /nfs/dbraw/zinc/92/17/13/544921713.db2.gz AISHCEXELUKGNP-QGZVFWFLSA-N 1 3 341.503 2.971 20 0 EFADHO Cc1n[nH]cc1[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000180248960 544922190 /nfs/dbraw/zinc/92/21/90/544922190.db2.gz AISHCEXELUKGNP-KRWDZBQOSA-N 1 3 341.503 2.971 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000680582451 549352845 /nfs/dbraw/zinc/35/28/45/549352845.db2.gz DSOJNHQVGBVMBG-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000680582453 549353413 /nfs/dbraw/zinc/35/34/13/549353413.db2.gz DSOJNHQVGBVMBG-VQTJNVASSA-N 1 3 341.499 2.594 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000186466908 265069340 /nfs/dbraw/zinc/06/93/40/265069340.db2.gz ZTYXCQPKSYFLQS-NVXWUHKLSA-N 1 3 349.475 2.508 20 0 EFADHO COCCC1(C[NH2+]C2CCN(CCN(C)C)CC2)CCCCC1 ZINC000189033304 265169128 /nfs/dbraw/zinc/16/91/28/265169128.db2.gz YKILNRQCVWEIEY-UHFFFAOYSA-N 1 3 325.541 2.589 20 0 EFADHO C[NH+](C)CCCC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189797206 265200458 /nfs/dbraw/zinc/20/04/58/265200458.db2.gz MZNPVTQWWQIPBY-UHFFFAOYSA-N 1 3 328.394 2.957 20 0 EFADHO CC(C)[C@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189956611 265204860 /nfs/dbraw/zinc/20/48/60/265204860.db2.gz CTBUCISXHLBTOB-KURKYZTESA-N 1 3 345.531 2.893 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000190139285 265210858 /nfs/dbraw/zinc/21/08/58/265210858.db2.gz QDWZUPJSPYTABU-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000190108026 265210990 /nfs/dbraw/zinc/21/09/90/265210990.db2.gz DSJISMNBKAEAHO-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CC(C)CCOC1CC[NH+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192722172 265306053 /nfs/dbraw/zinc/30/60/53/265306053.db2.gz FQVXASCBECLHEG-UHFFFAOYSA-N 1 3 339.568 2.930 20 0 EFADHO CO[C@]1(C)C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192750758 265308505 /nfs/dbraw/zinc/30/85/05/265308505.db2.gz PZZNMHRCMNYSEQ-PKOBYXMFSA-N 1 3 325.541 2.538 20 0 EFADHO CO[C@]1(C)C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000192750758 265308506 /nfs/dbraw/zinc/30/85/06/265308506.db2.gz PZZNMHRCMNYSEQ-PKOBYXMFSA-N 1 3 325.541 2.538 20 0 EFADHO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192804452 265310142 /nfs/dbraw/zinc/31/01/42/265310142.db2.gz LDGUNZROCYONKT-MOPGFXCFSA-N 1 3 325.541 2.586 20 0 EFADHO CCNC(=O)C1(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CCC1 ZINC000277207720 273151129 /nfs/dbraw/zinc/15/11/29/273151129.db2.gz JZBGIMMNIBQGJI-INIZCTEOSA-N 1 3 347.503 2.584 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000271564315 266009660 /nfs/dbraw/zinc/00/96/60/266009660.db2.gz XMFWLKCHHIHYBA-GBESFXJTSA-N 1 3 330.472 2.868 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000271707812 266045898 /nfs/dbraw/zinc/04/58/98/266045898.db2.gz MKGLOVWGMRNETO-VQIMIIECSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271707812 266045900 /nfs/dbraw/zinc/04/59/00/266045900.db2.gz MKGLOVWGMRNETO-VQIMIIECSA-N 1 3 348.487 2.963 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000271750962 266054432 /nfs/dbraw/zinc/05/44/32/266054432.db2.gz XNGPAFJHPKDVNX-PBHICJAKSA-N 1 3 330.419 2.599 20 0 EFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271916165 266096063 /nfs/dbraw/zinc/09/60/63/266096063.db2.gz YVNLYSDALLYRLO-LBPRGKRZSA-N 1 3 344.427 2.595 20 0 EFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000271916165 266096065 /nfs/dbraw/zinc/09/60/65/266096065.db2.gz YVNLYSDALLYRLO-LBPRGKRZSA-N 1 3 344.427 2.595 20 0 EFADHO C[C@@H]([NH2+]Cc1cnc2cnccn12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272251738 266205518 /nfs/dbraw/zinc/20/55/18/266205518.db2.gz YMWBOSGCNWFPDE-AEFFLSMTSA-N 1 3 335.455 2.730 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@H](C)O1 ZINC000272318980 266227838 /nfs/dbraw/zinc/22/78/38/266227838.db2.gz KBYCWENARGIDFM-HDICACEKSA-N 1 3 346.515 2.890 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)N(C)C)cc1 ZINC000272533431 266297947 /nfs/dbraw/zinc/29/79/47/266297947.db2.gz BOIOUEMQOTWIFG-SFHVURJKSA-N 1 3 346.519 2.629 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272550745 266305268 /nfs/dbraw/zinc/30/52/68/266305268.db2.gz SPUZPDMNZRZJDJ-MJGOQNOKSA-N 1 3 329.488 2.695 20 0 EFADHO COc1cc(-c2ccccc2)ccc1CNCC1(O)CC[NH+](C)CC1 ZINC000272629772 266332518 /nfs/dbraw/zinc/33/25/18/266332518.db2.gz ANWKOSNPLINJFU-UHFFFAOYSA-N 1 3 340.467 2.909 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669283 266344382 /nfs/dbraw/zinc/34/43/82/266344382.db2.gz PBNSOTMYRDQZJI-IZBJGVDFSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669283 266344384 /nfs/dbraw/zinc/34/43/84/266344384.db2.gz PBNSOTMYRDQZJI-IZBJGVDFSA-N 1 3 332.488 2.681 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272695338 266353754 /nfs/dbraw/zinc/35/37/54/266353754.db2.gz XQOYGAWNVVVASC-UYAOXDASSA-N 1 3 341.499 2.839 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272695336 266353902 /nfs/dbraw/zinc/35/39/02/266353902.db2.gz XQOYGAWNVVVASC-ICSRJNTNSA-N 1 3 341.499 2.839 20 0 EFADHO CCCc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)sc1C ZINC000103211951 273000841 /nfs/dbraw/zinc/00/08/41/273000841.db2.gz MMCQQDWWNDDTFH-UHFFFAOYSA-N 1 3 325.522 2.574 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1)C(C)C ZINC000108339328 273009352 /nfs/dbraw/zinc/00/93/52/273009352.db2.gz QJMTXXDRQNCCLP-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1)C(C)C ZINC000108339328 273009354 /nfs/dbraw/zinc/00/93/54/273009354.db2.gz QJMTXXDRQNCCLP-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000108544905 273010203 /nfs/dbraw/zinc/01/02/03/273010203.db2.gz WDXCGMKNMYCEDS-IBGZPJMESA-N 1 3 346.519 2.669 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000276962572 267086229 /nfs/dbraw/zinc/08/62/29/267086229.db2.gz MJWORHKPILNURB-GOSISDBHSA-N 1 3 348.535 2.908 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000276962572 267086235 /nfs/dbraw/zinc/08/62/35/267086235.db2.gz MJWORHKPILNURB-GOSISDBHSA-N 1 3 348.535 2.908 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000277390182 267170203 /nfs/dbraw/zinc/17/02/03/267170203.db2.gz XISQRBDJSYXZEE-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CN(CCC[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCO1 ZINC000277971237 267310605 /nfs/dbraw/zinc/31/06/05/267310605.db2.gz SPDSDHJNPWWCPP-HNNXBMFYSA-N 1 3 329.444 2.531 20 0 EFADHO C[C@@H]1CN(CCC[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCO1 ZINC000277971240 267310838 /nfs/dbraw/zinc/31/08/38/267310838.db2.gz SPDSDHJNPWWCPP-OAHLLOKOSA-N 1 3 329.444 2.531 20 0 EFADHO CC[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000132605518 273018840 /nfs/dbraw/zinc/01/88/40/273018840.db2.gz KDAZBHDAECCZNW-FQEVSTJZSA-N 1 3 342.487 2.618 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000278300350 267394404 /nfs/dbraw/zinc/39/44/04/267394404.db2.gz CDDGHOIYAKHZLR-ROUUACIJSA-N 1 3 336.451 2.692 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCC1 ZINC000193715165 273064331 /nfs/dbraw/zinc/06/43/31/273064331.db2.gz VPUAWLJGQPEMJX-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO C[C@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CN1C1CC1 ZINC000271247014 273103246 /nfs/dbraw/zinc/10/32/46/273103246.db2.gz VXBRUBJGQDTVDN-HOTGVXAUSA-N 1 3 343.519 2.649 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000277318568 273152300 /nfs/dbraw/zinc/15/23/00/273152300.db2.gz UYHNGWNEFWYAFO-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000277318568 273152301 /nfs/dbraw/zinc/15/23/01/273152301.db2.gz UYHNGWNEFWYAFO-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000277318580 273152356 /nfs/dbraw/zinc/15/23/56/273152356.db2.gz UYHNGWNEFWYAFO-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000277318580 273152358 /nfs/dbraw/zinc/15/23/58/273152358.db2.gz UYHNGWNEFWYAFO-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279004389 273165492 /nfs/dbraw/zinc/16/54/92/273165492.db2.gz GZVKAWZAGJKDCW-UYAOXDASSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279004389 273165493 /nfs/dbraw/zinc/16/54/93/273165493.db2.gz GZVKAWZAGJKDCW-UYAOXDASSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000279173692 273184671 /nfs/dbraw/zinc/18/46/71/273184671.db2.gz JJPABQWRDFLZQU-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000279173692 273184672 /nfs/dbraw/zinc/18/46/72/273184672.db2.gz JJPABQWRDFLZQU-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C12CCCN1CCC2 ZINC000279337929 273204293 /nfs/dbraw/zinc/20/42/93/273204293.db2.gz IBNBBCDHMZUHSL-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO CO[C@@H](c1ccccc1)[C@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000279639892 273237243 /nfs/dbraw/zinc/23/72/43/273237243.db2.gz AOXJJKWNKOKFHP-PKOBYXMFSA-N 1 3 332.488 2.997 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)[C@H]1C ZINC000279849694 273260431 /nfs/dbraw/zinc/26/04/31/273260431.db2.gz IGUUUAIDKXDKEJ-XYJFISCASA-N 1 3 348.487 2.694 20 0 EFADHO CN1CCC(O)(C[NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000280798559 273367946 /nfs/dbraw/zinc/36/79/46/273367946.db2.gz IDACACZSIUXKRS-UHFFFAOYSA-N 1 3 331.287 2.972 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCCF)cc1 ZINC000282836946 273626477 /nfs/dbraw/zinc/62/64/77/273626477.db2.gz VWNHKMAWXNGYCS-MJGOQNOKSA-N 1 3 349.494 2.986 20 0 EFADHO CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000284055316 273791388 /nfs/dbraw/zinc/79/13/88/273791388.db2.gz KMAZUJORAFCPCF-IBGZPJMESA-N 1 3 330.476 2.638 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284142878 273802495 /nfs/dbraw/zinc/80/24/95/273802495.db2.gz DHBHAIAIYDYGEH-GXTWGEPZSA-N 1 3 329.872 2.751 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000285457972 274003339 /nfs/dbraw/zinc/00/33/39/274003339.db2.gz JNEAZFLZKWQQCO-SFHVURJKSA-N 1 3 334.504 2.849 20 0 EFADHO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000285466327 274004930 /nfs/dbraw/zinc/00/49/30/274004930.db2.gz KCCIZHOLJCAZJY-ZWKOTPCHSA-N 1 3 345.531 2.979 20 0 EFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000414965656 274047192 /nfs/dbraw/zinc/04/71/92/274047192.db2.gz ZVDVLMGTUTZPRC-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000285677677 274051031 /nfs/dbraw/zinc/05/10/31/274051031.db2.gz NAYLVTANANJUAF-YJBOKZPZSA-N 1 3 330.476 2.839 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285687706 274053255 /nfs/dbraw/zinc/05/32/55/274053255.db2.gz OGLJUCUDPVKYIC-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285875161 274091934 /nfs/dbraw/zinc/09/19/34/274091934.db2.gz ZFEBEORYJCPPRH-CQSZACIVSA-N 1 3 339.439 2.930 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000286069600 274127093 /nfs/dbraw/zinc/12/70/93/274127093.db2.gz MGBIYAAMTFTLQH-ZDUSSCGKSA-N 1 3 345.409 2.723 20 0 EFADHO c1ncn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000286131391 274139752 /nfs/dbraw/zinc/13/97/52/274139752.db2.gz OMULMCPBSRQLGF-XUVXKRRUSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000286131391 274139755 /nfs/dbraw/zinc/13/97/55/274139755.db2.gz OMULMCPBSRQLGF-XUVXKRRUSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000286131391 274139756 /nfs/dbraw/zinc/13/97/56/274139756.db2.gz OMULMCPBSRQLGF-XUVXKRRUSA-N 1 3 339.487 2.559 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)[NH+](CC)CC ZINC000286268366 274165864 /nfs/dbraw/zinc/16/58/64/274165864.db2.gz VWAQZGBNEPKKIW-ROUUACIJSA-N 1 3 335.492 2.535 20 0 EFADHO CCCCN1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286365590 274186443 /nfs/dbraw/zinc/18/64/43/274186443.db2.gz ZJFPFWBPLRFKTH-AWEZNQCLSA-N 1 3 331.460 2.933 20 0 EFADHO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000287352496 274401525 /nfs/dbraw/zinc/40/15/25/274401525.db2.gz JGXXWQMGPZQQIH-QFBILLFUSA-N 1 3 346.519 2.709 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000287695929 274472734 /nfs/dbraw/zinc/47/27/34/274472734.db2.gz NKICSUPPAAKOEV-HOCLYGCPSA-N 1 3 343.393 2.998 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(CCc3ccccc3)CC2)C1 ZINC000414679134 274944190 /nfs/dbraw/zinc/94/41/90/274944190.db2.gz LDVGFHXBYLIQEO-FQEVSTJZSA-N 1 3 343.515 2.529 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1NCCc2ccccc21)[NH+]1CCCCC1 ZINC000262356740 275666120 /nfs/dbraw/zinc/66/61/20/275666120.db2.gz JRJBZFUWMYHTDX-OALUTQOASA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000236766763 275748326 /nfs/dbraw/zinc/74/83/26/275748326.db2.gz VRYLCDAONCYMSH-KFKAGJAMSA-N 1 3 331.504 2.952 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000079553404 276013450 /nfs/dbraw/zinc/01/34/50/276013450.db2.gz INSIGOXNKRKUKJ-BHIYHBOVSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000079553404 276013451 /nfs/dbraw/zinc/01/34/51/276013451.db2.gz INSIGOXNKRKUKJ-BHIYHBOVSA-N 1 3 331.504 2.742 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245635631 276013704 /nfs/dbraw/zinc/01/37/04/276013704.db2.gz BYSRGCAHNLYGHE-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000245635631 276013706 /nfs/dbraw/zinc/01/37/06/276013706.db2.gz BYSRGCAHNLYGHE-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353634050 276024972 /nfs/dbraw/zinc/02/49/72/276024972.db2.gz XZKHOLWCBSYXGA-RBUKOAKNSA-N 1 3 331.504 2.934 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353634051 276025156 /nfs/dbraw/zinc/02/51/56/276025156.db2.gz XZKHOLWCBSYXGA-RTBURBONSA-N 1 3 331.504 2.934 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000342701368 276063436 /nfs/dbraw/zinc/06/34/36/276063436.db2.gz YEXAHUKUHRIFCU-QRQLOZEOSA-N 1 3 329.488 2.670 20 0 EFADHO CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444156453 276063781 /nfs/dbraw/zinc/06/37/81/276063781.db2.gz BJRUQZZTNXZPEX-SAJDGTNDSA-N 1 3 341.499 2.670 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338484833 276107779 /nfs/dbraw/zinc/10/77/79/276107779.db2.gz RGICSWGLCCIOKO-JENIJYKNSA-N 1 3 346.519 2.851 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](CN)c1ccccc1 ZINC000236908743 276110855 /nfs/dbraw/zinc/11/08/55/276110855.db2.gz PQBKLTUFBLKLOH-HXUWFJFHSA-N 1 3 339.483 2.887 20 0 EFADHO CC1CCC(O)(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000357672528 276191564 /nfs/dbraw/zinc/19/15/64/276191564.db2.gz BVDAYPAWMISSQQ-SFANZJOMSA-N 1 3 338.536 2.749 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093942339 276194710 /nfs/dbraw/zinc/19/47/10/276194710.db2.gz DZLYGYYBPSVDAZ-SFHVURJKSA-N 1 3 332.536 2.821 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928628 276225300 /nfs/dbraw/zinc/22/53/00/276225300.db2.gz BXDZYAXBJYEIGB-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928628 276225302 /nfs/dbraw/zinc/22/53/02/276225302.db2.gz BXDZYAXBJYEIGB-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928628 276225303 /nfs/dbraw/zinc/22/53/03/276225303.db2.gz BXDZYAXBJYEIGB-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928628 276225304 /nfs/dbraw/zinc/22/53/04/276225304.db2.gz BXDZYAXBJYEIGB-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2N2CCOCC2)[C@H](C)C1 ZINC000345170330 276229630 /nfs/dbraw/zinc/22/96/30/276229630.db2.gz BQUYWTGTGDZPDY-MJGOQNOKSA-N 1 3 331.504 2.652 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423430147 276247906 /nfs/dbraw/zinc/24/79/06/276247906.db2.gz HYJFYCWGQHYPMX-SJLPKXTDSA-N 1 3 331.504 2.903 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423430147 276247908 /nfs/dbraw/zinc/24/79/08/276247908.db2.gz HYJFYCWGQHYPMX-SJLPKXTDSA-N 1 3 331.504 2.903 20 0 EFADHO CCN(CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000101982294 276346730 /nfs/dbraw/zinc/34/67/30/276346730.db2.gz DYOKKWLZCHXCTG-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)CC(C)C)CC1 ZINC000349421126 276359282 /nfs/dbraw/zinc/35/92/82/276359282.db2.gz ZLWIJWCUKQORNQ-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000192665911 276384043 /nfs/dbraw/zinc/38/40/43/276384043.db2.gz GRLHYVZAKYABSL-HXUWFJFHSA-N 1 3 330.520 2.941 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000416844021 276672490 /nfs/dbraw/zinc/67/24/90/276672490.db2.gz PJDKBDPCDGXKDY-UHOSZYNNSA-N 1 3 346.519 2.668 20 0 EFADHO CN1CCC(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000364194625 277024068 /nfs/dbraw/zinc/02/40/68/277024068.db2.gz IILWIAQMDAKRQL-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO CN1CCC(O)(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000269062735 277032444 /nfs/dbraw/zinc/03/24/44/277032444.db2.gz URCZDSQCGLESRQ-AWEZNQCLSA-N 1 3 326.893 2.923 20 0 EFADHO CC(C)(CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000079219074 277300381 /nfs/dbraw/zinc/30/03/81/277300381.db2.gz FYGKANJSQFKETB-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)(CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCCC1 ZINC000079219076 277300383 /nfs/dbraw/zinc/30/03/83/277300383.db2.gz FYGKANJSQFKETB-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)[C@@H](C)[NH3+] ZINC000423317942 277724925 /nfs/dbraw/zinc/72/49/25/277724925.db2.gz YVSFPXUWDULXIH-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000449224338 277791122 /nfs/dbraw/zinc/79/11/22/277791122.db2.gz LLGQUUAHEUVVHB-JTDSTZFVSA-N 1 3 331.504 2.892 20 0 EFADHO COc1cccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000072759350 278017524 /nfs/dbraw/zinc/01/75/24/278017524.db2.gz JLCBOAMFEAGIFI-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO COc1cccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)c1 ZINC000072759350 278017525 /nfs/dbraw/zinc/01/75/25/278017525.db2.gz JLCBOAMFEAGIFI-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO CC(C)c1ccc(C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414682843 278035429 /nfs/dbraw/zinc/03/54/29/278035429.db2.gz SARGFIHRIBKCPP-SFHVURJKSA-N 1 3 343.515 2.972 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C2CC2)cc1 ZINC000414682843 278035431 /nfs/dbraw/zinc/03/54/31/278035431.db2.gz SARGFIHRIBKCPP-SFHVURJKSA-N 1 3 343.515 2.972 20 0 EFADHO C[C@H](CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000370765325 278163001 /nfs/dbraw/zinc/16/30/01/278163001.db2.gz CISZSFYAEINIJX-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423044390 278169563 /nfs/dbraw/zinc/16/95/63/278169563.db2.gz AMPGPNNZCMZXOM-DGCLKSJQSA-N 1 3 329.366 2.528 20 0 EFADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000351756417 278177311 /nfs/dbraw/zinc/17/73/11/278177311.db2.gz AAJUQWIIWFCGQR-IEBWSBKVSA-N 1 3 346.519 2.709 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192786043 278210218 /nfs/dbraw/zinc/21/02/18/278210218.db2.gz XJXZLXBNIISIFN-KRWDZBQOSA-N 1 3 346.519 2.712 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422861882 278226857 /nfs/dbraw/zinc/22/68/57/278226857.db2.gz NCANFVRWQOJOFM-OXJNMPFZSA-N 1 3 337.467 2.862 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468506 278259011 /nfs/dbraw/zinc/25/90/11/278259011.db2.gz XFLFDVJCNOKHBX-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468506 278259012 /nfs/dbraw/zinc/25/90/12/278259012.db2.gz XFLFDVJCNOKHBX-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443058753 278339396 /nfs/dbraw/zinc/33/93/96/278339396.db2.gz LIBGZRGQFPERTJ-SFHVURJKSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267204546 278344672 /nfs/dbraw/zinc/34/46/72/278344672.db2.gz GLDUDMMRZIZEKO-QUCCMNQESA-N 1 3 331.504 2.524 20 0 EFADHO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187221 278739521 /nfs/dbraw/zinc/73/95/21/278739521.db2.gz IETMSNNZFFIDQO-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000358579149 278788697 /nfs/dbraw/zinc/78/86/97/278788697.db2.gz NOQKMHFSQKEGKB-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592492 288087358 /nfs/dbraw/zinc/08/73/58/288087358.db2.gz NGBWOHQVAZRYQF-YZGWKJHDSA-N 1 3 343.515 2.774 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592492 288087359 /nfs/dbraw/zinc/08/73/59/288087359.db2.gz NGBWOHQVAZRYQF-YZGWKJHDSA-N 1 3 343.515 2.774 20 0 EFADHO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449332238 279007717 /nfs/dbraw/zinc/00/77/17/279007717.db2.gz CNDOWMHLQUSADF-UKBAYJJMSA-N 1 3 329.488 2.526 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339947702 279130620 /nfs/dbraw/zinc/13/06/20/279130620.db2.gz RFAVACCVCYPERP-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191837874 288107218 /nfs/dbraw/zinc/10/72/18/288107218.db2.gz BMORACGVMCHPGS-VURPSTOHSA-N 1 3 345.531 2.596 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449994993 279135018 /nfs/dbraw/zinc/13/50/18/279135018.db2.gz VLUIHYJKMIENJC-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690242 279199529 /nfs/dbraw/zinc/19/95/29/279199529.db2.gz COLBDWDVDKPHFD-QFBILLFUSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690242 279199532 /nfs/dbraw/zinc/19/95/32/279199532.db2.gz COLBDWDVDKPHFD-QFBILLFUSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817738 279226388 /nfs/dbraw/zinc/22/63/88/279226388.db2.gz HCVHVKKNOIQKFW-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817738 279226389 /nfs/dbraw/zinc/22/63/89/279226389.db2.gz HCVHVKKNOIQKFW-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637589 279302118 /nfs/dbraw/zinc/30/21/18/279302118.db2.gz CYDSHAMDBZSASE-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637589 279302121 /nfs/dbraw/zinc/30/21/21/279302121.db2.gz CYDSHAMDBZSASE-XDNAFOTISA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccs1 ZINC000265591418 279302677 /nfs/dbraw/zinc/30/26/77/279302677.db2.gz ATAMLHCNBAWIST-HZPDHXFCSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccs1 ZINC000265591418 279302679 /nfs/dbraw/zinc/30/26/79/279302679.db2.gz ATAMLHCNBAWIST-HZPDHXFCSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000352910845 279316767 /nfs/dbraw/zinc/31/67/67/279316767.db2.gz PLIHBFHOZQEYSC-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000352910845 279316769 /nfs/dbraw/zinc/31/67/69/279316769.db2.gz PLIHBFHOZQEYSC-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CNC(=O)NCCC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000111855382 279334365 /nfs/dbraw/zinc/33/43/65/279334365.db2.gz UGTCSIWFNSLZCJ-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000348618711 279335097 /nfs/dbraw/zinc/33/50/97/279335097.db2.gz ALEKQXNNMJEBKP-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000348618711 279335098 /nfs/dbraw/zinc/33/50/98/279335098.db2.gz ALEKQXNNMJEBKP-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367596540 279362446 /nfs/dbraw/zinc/36/24/46/279362446.db2.gz PUXANDRQFPSIOB-IEBWSBKVSA-N 1 3 347.551 2.894 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414186342 280185751 /nfs/dbraw/zinc/18/57/51/280185751.db2.gz HPFUUVBITSWLGJ-QGZVFWFLSA-N 1 3 337.533 2.585 20 0 EFADHO CC(C)[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCC1 ZINC000105090053 280246654 /nfs/dbraw/zinc/24/66/54/280246654.db2.gz FYOLLFSGETYPJG-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)[NH+]1CCCCCC1 ZINC000345478301 280247178 /nfs/dbraw/zinc/24/71/78/280247178.db2.gz JQOYJYMPQSYKHA-KSZLIROESA-N 1 3 338.540 2.669 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3CCCC[C@@H]3CN)CC2)c1 ZINC000422801456 281228079 /nfs/dbraw/zinc/22/80/79/281228079.db2.gz BYYBMDMJJXTXDS-CTNGQTDRSA-N 1 3 344.547 2.614 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165726380 281837654 /nfs/dbraw/zinc/83/76/54/281837654.db2.gz PSUBIAHOBXGUIY-GBESFXJTSA-N 1 3 329.488 2.703 20 0 EFADHO CN(C)CC1(C[NH2+]C2CCN(Cc3cccnc3)CC2)CCCC1 ZINC000355514593 282075384 /nfs/dbraw/zinc/07/53/84/282075384.db2.gz OKNWXWKRJRPDRF-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000067705670 292698700 /nfs/dbraw/zinc/69/87/00/292698700.db2.gz WXYNJXXUVVGDGK-LJQANCHMSA-N 1 3 346.519 2.770 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000422247214 289063904 /nfs/dbraw/zinc/06/39/04/289063904.db2.gz VXTUOVQDEQRYPU-DAWZGUTISA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000174385843 289225463 /nfs/dbraw/zinc/22/54/63/289225463.db2.gz XJIDDCMBLRAUST-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2CN2CCCCC2)C1 ZINC000176592778 289305893 /nfs/dbraw/zinc/30/58/93/289305893.db2.gz RDTAQCALUSDREC-RCCFBDPRSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000261628043 289354758 /nfs/dbraw/zinc/35/47/58/289354758.db2.gz HAUXDKZCTSIXAZ-SNRMKQJTSA-N 1 3 325.456 2.742 20 0 EFADHO C[NH+](C)CCC1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000079572169 292791016 /nfs/dbraw/zinc/79/10/16/292791016.db2.gz FRGRLZMQGIDQFF-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)c1 ZINC000420310141 293000506 /nfs/dbraw/zinc/00/05/06/293000506.db2.gz MGBREBPLRHHZTK-WOJBJXKFSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CC[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)c1 ZINC000420310141 293000512 /nfs/dbraw/zinc/00/05/12/293000512.db2.gz MGBREBPLRHHZTK-WOJBJXKFSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CCN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000420310141 293000517 /nfs/dbraw/zinc/00/05/17/293000517.db2.gz MGBREBPLRHHZTK-WOJBJXKFSA-N 1 3 326.488 2.864 20 0 EFADHO CC[C@@H](COC)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125338648 293008828 /nfs/dbraw/zinc/00/88/28/293008828.db2.gz QQIBDLRYUJSINS-IBGZPJMESA-N 1 3 333.520 2.912 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854355 293018508 /nfs/dbraw/zinc/01/85/08/293018508.db2.gz IQVCHZOOQVDFLW-UONOGXRCSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854355 293018513 /nfs/dbraw/zinc/01/85/13/293018513.db2.gz IQVCHZOOQVDFLW-UONOGXRCSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854355 293018515 /nfs/dbraw/zinc/01/85/15/293018515.db2.gz IQVCHZOOQVDFLW-UONOGXRCSA-N 1 3 343.313 2.744 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000128130039 293092844 /nfs/dbraw/zinc/09/28/44/293092844.db2.gz FUBIPFXPBPHRAC-KRWDZBQOSA-N 1 3 346.519 2.703 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCCCC1 ZINC000129072771 293123566 /nfs/dbraw/zinc/12/35/66/293123566.db2.gz SWLPZHPIIJXCMA-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271566 293129283 /nfs/dbraw/zinc/12/92/83/293129283.db2.gz SYLDYYCEXHZECS-QAPCUYQASA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271566 293129285 /nfs/dbraw/zinc/12/92/85/293129285.db2.gz SYLDYYCEXHZECS-QAPCUYQASA-N 1 3 325.497 2.754 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000339059748 293202206 /nfs/dbraw/zinc/20/22/06/293202206.db2.gz OUCYNAGYFUZHSA-DYESRHJHSA-N 1 3 344.547 2.971 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000339059748 293202207 /nfs/dbraw/zinc/20/22/07/293202207.db2.gz OUCYNAGYFUZHSA-DYESRHJHSA-N 1 3 344.547 2.971 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CCCN1 ZINC000423420972 293293632 /nfs/dbraw/zinc/29/36/32/293293632.db2.gz XJILPWIQGMNYES-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H]1CN(CCOCC[N@@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000351994789 297007749 /nfs/dbraw/zinc/00/77/49/297007749.db2.gz LGACIHAYIGNHMG-ZIAGYGMSSA-N 1 3 340.405 2.957 20 0 EFADHO C[C@@H]1CN(CCOCC[N@H+]2CCC(F)(F)[C@H](C)C2)CCC1(F)F ZINC000351994789 297007750 /nfs/dbraw/zinc/00/77/50/297007750.db2.gz LGACIHAYIGNHMG-ZIAGYGMSSA-N 1 3 340.405 2.957 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154358572 293422374 /nfs/dbraw/zinc/42/23/74/293422374.db2.gz OUBFUBDKUCLTAR-SFHVURJKSA-N 1 3 335.467 2.657 20 0 EFADHO Cc1cccc(C[C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c1 ZINC000154432672 293425964 /nfs/dbraw/zinc/42/59/64/293425964.db2.gz SOHHAMAMZNKJEV-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO CO[C@@H](CC(C)C)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000419228272 293487432 /nfs/dbraw/zinc/48/74/32/293487432.db2.gz LXEYRZAKBNQINT-IBGZPJMESA-N 1 3 325.541 2.538 20 0 EFADHO CN(C)CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCC1 ZINC000158842051 293586270 /nfs/dbraw/zinc/58/62/70/293586270.db2.gz WEWWZCDWMYGSTM-UHFFFAOYSA-N 1 3 338.540 2.811 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCC2 ZINC000290018516 293976842 /nfs/dbraw/zinc/97/68/42/293976842.db2.gz CAZWLDHYWGAOMG-RTBURBONSA-N 1 3 347.503 2.849 20 0 EFADHO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290152674 294012574 /nfs/dbraw/zinc/01/25/74/294012574.db2.gz LJJUQLKUWBDEEF-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290152674 294012575 /nfs/dbraw/zinc/01/25/75/294012575.db2.gz LJJUQLKUWBDEEF-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290152674 294012576 /nfs/dbraw/zinc/01/25/76/294012576.db2.gz LJJUQLKUWBDEEF-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO COCCOc1ccc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290363413 294067146 /nfs/dbraw/zinc/06/71/46/294067146.db2.gz GYERJYHREQTVFA-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO COCCOc1ccc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)cc1 ZINC000290363413 294067150 /nfs/dbraw/zinc/06/71/50/294067150.db2.gz GYERJYHREQTVFA-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290399876 294076577 /nfs/dbraw/zinc/07/65/77/294076577.db2.gz JHGOXGZQKSVLCQ-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290399876 294076580 /nfs/dbraw/zinc/07/65/80/294076580.db2.gz JHGOXGZQKSVLCQ-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290399876 294076583 /nfs/dbraw/zinc/07/65/83/294076583.db2.gz JHGOXGZQKSVLCQ-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290399876 294076584 /nfs/dbraw/zinc/07/65/84/294076584.db2.gz JHGOXGZQKSVLCQ-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc2c1OCO2 ZINC000290461487 294092824 /nfs/dbraw/zinc/09/28/24/294092824.db2.gz NBCCBVWKOXCWSR-INIZCTEOSA-N 1 3 332.444 2.588 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000290459390 294092899 /nfs/dbraw/zinc/09/28/99/294092899.db2.gz WKUYHQWNONQWLS-WFXMLNOXSA-N 1 3 346.515 2.931 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000290473419 294095618 /nfs/dbraw/zinc/09/56/18/294095618.db2.gz XAZJNBNWOQAALB-QRQLOZEOSA-N 1 3 347.503 2.705 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563520 294121230 /nfs/dbraw/zinc/12/12/30/294121230.db2.gz SLQQOXLQWDCMBN-WDYCEAGBSA-N 1 3 346.471 2.543 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000290563520 294121234 /nfs/dbraw/zinc/12/12/34/294121234.db2.gz SLQQOXLQWDCMBN-WDYCEAGBSA-N 1 3 346.471 2.543 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000290637243 294142977 /nfs/dbraw/zinc/14/29/77/294142977.db2.gz YGQYEKNVFGGXIK-LJQANCHMSA-N 1 3 339.487 2.739 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000290637243 294142979 /nfs/dbraw/zinc/14/29/79/294142979.db2.gz YGQYEKNVFGGXIK-LJQANCHMSA-N 1 3 339.487 2.739 20 0 EFADHO C[C@H](CCNC(=O)C1C[C@H](c2ccccc2)OC1=O)[NH+]1CCCCC1 ZINC000290656351 294147981 /nfs/dbraw/zinc/14/79/81/294147981.db2.gz ZJPXZHNUOREDMD-KBAYOESNSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291195095 294306151 /nfs/dbraw/zinc/30/61/51/294306151.db2.gz JDKSYMMLRYIIEO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291195095 294306154 /nfs/dbraw/zinc/30/61/54/294306154.db2.gz JDKSYMMLRYIIEO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291409151 294373459 /nfs/dbraw/zinc/37/34/59/294373459.db2.gz AGTMIVSMYOHQCH-IRXDYDNUSA-N 1 3 332.444 2.529 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291409144 294373511 /nfs/dbraw/zinc/37/35/11/294373511.db2.gz AGTMIVSMYOHQCH-DLBZAZTESA-N 1 3 332.444 2.529 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000292071782 294570693 /nfs/dbraw/zinc/57/06/93/294570693.db2.gz LGELNRCSRVDUGK-KRWDZBQOSA-N 1 3 347.528 2.749 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000292079781 294572414 /nfs/dbraw/zinc/57/24/14/294572414.db2.gz LZMJRDWRSISOPW-MSOLQXFVSA-N 1 3 345.531 2.963 20 0 EFADHO FC(F)O[C@@H]1CCC[C@H]1N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423115061 294706097 /nfs/dbraw/zinc/70/60/97/294706097.db2.gz MQWNOJHRRCESQT-CXHZTBPHSA-N 1 3 338.398 2.992 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN(C)C ZINC000293833460 295059557 /nfs/dbraw/zinc/05/95/57/295059557.db2.gz WOJLALCIOSXUSQ-GJZGRUSLSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+](C)C ZINC000293833460 295059560 /nfs/dbraw/zinc/05/95/60/295059560.db2.gz WOJLALCIOSXUSQ-GJZGRUSLSA-N 1 3 339.911 2.864 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN(C)C)cc1Cn1cccn1 ZINC000293868978 295067792 /nfs/dbraw/zinc/06/77/92/295067792.db2.gz YCGVTHWMGNPMBX-CVEARBPZSA-N 1 3 330.476 2.788 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN(C)C ZINC000293888317 295072194 /nfs/dbraw/zinc/07/21/94/295072194.db2.gz ZAVUBKRCPVAAIO-CABCVRRESA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+](C)C ZINC000293888317 295072196 /nfs/dbraw/zinc/07/21/96/295072196.db2.gz ZAVUBKRCPVAAIO-CABCVRRESA-N 1 3 339.911 2.864 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294263662 295137480 /nfs/dbraw/zinc/13/74/80/295137480.db2.gz NZSKGYRAIYMDNM-IYBDPMFKSA-N 1 3 345.487 2.865 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294263662 295137482 /nfs/dbraw/zinc/13/74/82/295137482.db2.gz NZSKGYRAIYMDNM-IYBDPMFKSA-N 1 3 345.487 2.865 20 0 EFADHO C[C@H](NC[C@H](O)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294611754 295194124 /nfs/dbraw/zinc/19/41/24/295194124.db2.gz OEYBDTBKGXOPAR-RIFZZMRRSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H](NC[C@H](O)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000294611754 295194125 /nfs/dbraw/zinc/19/41/25/295194125.db2.gz OEYBDTBKGXOPAR-RIFZZMRRSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000294611754 295194126 /nfs/dbraw/zinc/19/41/26/295194126.db2.gz OEYBDTBKGXOPAR-RIFZZMRRSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294611761 295194509 /nfs/dbraw/zinc/19/45/09/295194509.db2.gz OEYBDTBKGXOPAR-VPWXQRGCSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000294611761 295194511 /nfs/dbraw/zinc/19/45/11/295194511.db2.gz OEYBDTBKGXOPAR-VPWXQRGCSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000294611761 295194513 /nfs/dbraw/zinc/19/45/13/295194513.db2.gz OEYBDTBKGXOPAR-VPWXQRGCSA-N 1 3 334.479 2.972 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000294653853 295201024 /nfs/dbraw/zinc/20/10/24/295201024.db2.gz CCTRRYJUPWRRKT-KRWDZBQOSA-N 1 3 348.487 2.586 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1OC ZINC000353590912 295207492 /nfs/dbraw/zinc/20/74/92/295207492.db2.gz VWCNXAOUKRUWIL-MRXNPFEDSA-N 1 3 349.519 2.689 20 0 EFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150982049 295210302 /nfs/dbraw/zinc/21/03/02/295210302.db2.gz NPLQKHWBTVCMDW-IRXDYDNUSA-N 1 3 333.520 2.803 20 0 EFADHO C[C@@H](CCCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000294699149 295210442 /nfs/dbraw/zinc/21/04/42/295210442.db2.gz CXYDLNCJDJQXGW-KRWDZBQOSA-N 1 3 333.520 2.715 20 0 EFADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCCC1 ZINC000165895419 295221144 /nfs/dbraw/zinc/22/11/44/295221144.db2.gz XFTWRHHPGAFSIA-SFHVURJKSA-N 1 3 329.488 2.676 20 0 EFADHO COc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509702 295241740 /nfs/dbraw/zinc/24/17/40/295241740.db2.gz RVSCFNDTEOAKOC-LMSBXDPUSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509702 295241741 /nfs/dbraw/zinc/24/17/41/295241741.db2.gz RVSCFNDTEOAKOC-LMSBXDPUSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)N(C)C)cc1OC ZINC000089509702 295241744 /nfs/dbraw/zinc/24/17/44/295241744.db2.gz RVSCFNDTEOAKOC-LMSBXDPUSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCCCC[C@H]2N)N(C)C)cc1OC ZINC000422989483 295241865 /nfs/dbraw/zinc/24/18/65/295241865.db2.gz LXMOVICMEXVIQY-ZACQAIPSSA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1OC ZINC000422989483 295241867 /nfs/dbraw/zinc/24/18/67/295241867.db2.gz LXMOVICMEXVIQY-ZACQAIPSSA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000422754636 295241990 /nfs/dbraw/zinc/24/19/90/295241990.db2.gz JRJQBEIMYVNPJN-WMWLNJEOSA-N 1 3 329.488 2.705 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926181 295248832 /nfs/dbraw/zinc/24/88/32/295248832.db2.gz CQCBRJUSPGFUBD-OALUTQOASA-N 1 3 329.488 2.920 20 0 EFADHO CCN(C)C(=O)[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000294947935 295249622 /nfs/dbraw/zinc/24/96/22/295249622.db2.gz CUBCWGHPIMBSHW-IBGZPJMESA-N 1 3 331.504 2.744 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000150950536 295273747 /nfs/dbraw/zinc/27/37/47/295273747.db2.gz ZMYSGMITJHNFGO-LJQANCHMSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000295198314 295281043 /nfs/dbraw/zinc/28/10/43/295281043.db2.gz OVOMGVIEQMORTM-HOTGVXAUSA-N 1 3 329.488 2.907 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000295215049 295283387 /nfs/dbraw/zinc/28/33/87/295283387.db2.gz AXVFOCAHQQSSHD-DLBZAZTESA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000295215049 295283389 /nfs/dbraw/zinc/28/33/89/295283389.db2.gz AXVFOCAHQQSSHD-DLBZAZTESA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000295215051 295283434 /nfs/dbraw/zinc/28/34/34/295283434.db2.gz AXVFOCAHQQSSHD-IRXDYDNUSA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000295215051 295283435 /nfs/dbraw/zinc/28/34/35/295283435.db2.gz AXVFOCAHQQSSHD-IRXDYDNUSA-N 1 3 348.487 2.586 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000295235301 295286007 /nfs/dbraw/zinc/28/60/07/295286007.db2.gz SFSQRTRLCMKARJ-GOSISDBHSA-N 1 3 331.504 2.542 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000295336774 295302838 /nfs/dbraw/zinc/30/28/38/295302838.db2.gz ZVOOSRPODQXZPT-OAHLLOKOSA-N 1 3 335.517 2.605 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000295599851 295347293 /nfs/dbraw/zinc/34/72/93/295347293.db2.gz FRRKWDVZAJVWFK-INIZCTEOSA-N 1 3 332.492 2.535 20 0 EFADHO CS[C@@H]1CN(CCN(C)Cc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000295758666 295371899 /nfs/dbraw/zinc/37/18/99/295371899.db2.gz ORGAZPWLTBAMBC-RTBURBONSA-N 1 3 333.545 2.630 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000364463675 295545483 /nfs/dbraw/zinc/54/54/83/295545483.db2.gz UTUYWTPEPVPPBE-JKSUJKDBSA-N 1 3 335.517 2.781 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237548693 297228020 /nfs/dbraw/zinc/22/80/20/297228020.db2.gz COUFRMVUCNLESZ-LMMKCTJWSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237468461 297228431 /nfs/dbraw/zinc/22/84/31/297228431.db2.gz CSLDWVSKNPCMEJ-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997532 297277653 /nfs/dbraw/zinc/27/76/53/297277653.db2.gz GCLALZHVLNCQLN-BRWVUGGUSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997532 297277655 /nfs/dbraw/zinc/27/76/55/297277655.db2.gz GCLALZHVLNCQLN-BRWVUGGUSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000423313198 299002586 /nfs/dbraw/zinc/00/25/86/299002586.db2.gz WJKUIWVTZLRCOU-HNAYVOBHSA-N 1 3 325.456 2.609 20 0 EFADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422900692 301291209 /nfs/dbraw/zinc/29/12/09/301291209.db2.gz QWGOCZPLMZYPDZ-NUEKZKHPSA-N 1 3 326.868 2.759 20 0 EFADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422900692 301291212 /nfs/dbraw/zinc/29/12/12/301291212.db2.gz QWGOCZPLMZYPDZ-NUEKZKHPSA-N 1 3 326.868 2.759 20 0 EFADHO Cc1ccc([C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)cc1 ZINC000423398397 301721884 /nfs/dbraw/zinc/72/18/84/301721884.db2.gz VIOXZKPZKVHRRD-IAGOWNOFSA-N 1 3 341.421 2.872 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103311204 301793796 /nfs/dbraw/zinc/79/37/96/301793796.db2.gz RZSXKDABZWCIHX-IBGZPJMESA-N 1 3 346.519 2.629 20 0 EFADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422951387 301976932 /nfs/dbraw/zinc/97/69/32/301976932.db2.gz YJZYJOZSEDGPSZ-CEXWTWQISA-N 1 3 332.488 2.819 20 0 EFADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423010545 303118605 /nfs/dbraw/zinc/11/86/05/303118605.db2.gz GVOLWEQUMVBJPS-MCIONIFRSA-N 1 3 343.393 2.990 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000414670327 303365892 /nfs/dbraw/zinc/36/58/92/303365892.db2.gz CYQFNZFUEYMHMO-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000414670327 303365893 /nfs/dbraw/zinc/36/58/93/303365893.db2.gz CYQFNZFUEYMHMO-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO NC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000238012916 303390909 /nfs/dbraw/zinc/39/09/09/303390909.db2.gz FYTBMVSGWLKJRD-UYAOXDASSA-N 1 3 343.515 2.844 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000237963580 303577243 /nfs/dbraw/zinc/57/72/43/303577243.db2.gz PMRRCJMVMCNZSW-IBGZPJMESA-N 1 3 329.488 2.720 20 0 EFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422728368 304856094 /nfs/dbraw/zinc/85/60/94/304856094.db2.gz FZGNEYYBKNILDA-BQJUDKOJSA-N 1 3 343.515 2.570 20 0 EFADHO O[C@@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297303099 310878349 /nfs/dbraw/zinc/87/83/49/310878349.db2.gz BFZQZFUZHOSHKX-FQEVSTJZSA-N 1 3 325.456 2.634 20 0 EFADHO CCn1ccnc1[C@H](C)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000297921244 310940953 /nfs/dbraw/zinc/94/09/53/310940953.db2.gz XEMGCIJEVOZUSO-INIZCTEOSA-N 1 3 330.476 2.737 20 0 EFADHO Cc1cccc(C[C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298113713 310958389 /nfs/dbraw/zinc/95/83/89/310958389.db2.gz ONILWFDTDKIGFD-LJQANCHMSA-N 1 3 325.456 2.552 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000298561822 311003248 /nfs/dbraw/zinc/00/32/48/311003248.db2.gz JSHDXFKTZRYMOP-ULQDDVLXSA-N 1 3 331.504 2.779 20 0 EFADHO COc1ccc([C@H](C[NH2+]C2CCN(C3CC3)CC2)N(C)C)cc1OC ZINC000298564405 311003798 /nfs/dbraw/zinc/00/37/98/311003798.db2.gz WHNKEWKFFNGQQX-SFHVURJKSA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)cc1OC ZINC000298564405 311003800 /nfs/dbraw/zinc/00/38/00/311003800.db2.gz WHNKEWKFFNGQQX-SFHVURJKSA-N 1 3 347.503 2.523 20 0 EFADHO CC(C)[C@@H](C)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000298705661 311015999 /nfs/dbraw/zinc/01/59/99/311015999.db2.gz IPYFBCDGFCDPAQ-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000299429547 311083799 /nfs/dbraw/zinc/08/37/99/311083799.db2.gz HVJLTTDJLPFNNW-KRWDZBQOSA-N 1 3 349.519 2.867 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000302968548 311208839 /nfs/dbraw/zinc/20/88/39/311208839.db2.gz HQLUUAJSPXKXOE-QGZVFWFLSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000302968548 311208840 /nfs/dbraw/zinc/20/88/40/311208840.db2.gz HQLUUAJSPXKXOE-QGZVFWFLSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CN(C)C ZINC000309742755 311228650 /nfs/dbraw/zinc/22/86/50/311228650.db2.gz WJNSJGOUKSWVET-WZYMTQMTSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CNCc3ccccc32)([NH+](C)C)C1 ZINC000325685962 311243315 /nfs/dbraw/zinc/24/33/15/311243315.db2.gz ODISOWHWTHBTRI-XFQXTVEOSA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000325878367 311243653 /nfs/dbraw/zinc/24/36/53/311243653.db2.gz MOYYUQKQPGZKAM-FUMNGEBKSA-N 1 3 337.552 2.634 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC1(O)CCN(C)CC1 ZINC000329669490 311287502 /nfs/dbraw/zinc/28/75/02/311287502.db2.gz SNIWOTIXKIQEOY-SFHVURJKSA-N 1 3 327.472 2.900 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@@H]1C ZINC000331224619 311361845 /nfs/dbraw/zinc/36/18/45/311361845.db2.gz DUDBFYRXSPNIHI-ZFWWWQNUSA-N 1 3 336.455 2.541 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@@H]1C ZINC000331224619 311361846 /nfs/dbraw/zinc/36/18/46/311361846.db2.gz DUDBFYRXSPNIHI-ZFWWWQNUSA-N 1 3 336.455 2.541 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000332530009 311515327 /nfs/dbraw/zinc/51/53/27/311515327.db2.gz UXMMHBAWEKXRGX-UHFFFAOYSA-N 1 3 330.476 2.936 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000333176673 311578046 /nfs/dbraw/zinc/57/80/46/311578046.db2.gz QZVCRXMKYNCPOA-MJGOQNOKSA-N 1 3 341.455 2.659 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)nn1 ZINC000333252247 311590060 /nfs/dbraw/zinc/59/00/60/311590060.db2.gz HBAMRAMOYRKITM-INDMIFKZSA-N 1 3 343.519 2.654 20 0 EFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1csc(Cl)c1 ZINC000333298326 311596625 /nfs/dbraw/zinc/59/66/25/311596625.db2.gz PPVWJPUNFXSENT-ZXIHIIQKSA-N 1 3 341.908 2.699 20 0 EFADHO C[C@H](CN1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414774776 312052178 /nfs/dbraw/zinc/05/21/78/312052178.db2.gz UVYLUQXNNOXEGU-RHSMWYFYSA-N 1 3 341.421 2.788 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414831027 312055288 /nfs/dbraw/zinc/05/52/88/312055288.db2.gz PEECLWJDBBWFSD-QWHCGFSZSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414831027 312055290 /nfs/dbraw/zinc/05/52/90/312055290.db2.gz PEECLWJDBBWFSD-QWHCGFSZSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414833526 312055766 /nfs/dbraw/zinc/05/57/66/312055766.db2.gz FWSHVWOBTAQOSE-KDOFPFPSSA-N 1 3 333.476 2.910 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414839263 312056775 /nfs/dbraw/zinc/05/67/75/312056775.db2.gz MCJVZRCREXWWED-UONOGXRCSA-N 1 3 325.884 2.522 20 0 EFADHO Brc1cc2c(cc1CNCC[C@H]1CCC[NH2+]C1)OCO2 ZINC000414849828 312057906 /nfs/dbraw/zinc/05/79/06/312057906.db2.gz MDBQMCMHFNBKAZ-LLVKDONJSA-N 1 3 341.249 2.657 20 0 EFADHO Fc1ccc(-n2cc(CNCC[C@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414851665 312058333 /nfs/dbraw/zinc/05/83/33/312058333.db2.gz OSBSIXZJLJWXDM-GFCCVEGCSA-N 1 3 337.830 2.539 20 0 EFADHO CN(c1ccccc1CNC[C@]1(C)CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414920346 312063178 /nfs/dbraw/zinc/06/31/78/312063178.db2.gz ZCNGWYGSVGBULX-OAQYLSRUSA-N 1 3 344.547 2.696 20 0 EFADHO Cc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414972117 312069291 /nfs/dbraw/zinc/06/92/91/312069291.db2.gz MAQVHSWOWMTOIG-AWEZNQCLSA-N 1 3 335.801 2.574 20 0 EFADHO COCC1(CNCc2cc(F)ccc2Br)CC[NH2+]CC1 ZINC000414978865 312070334 /nfs/dbraw/zinc/07/03/34/312070334.db2.gz UCWPKZPRMSFAJJ-UHFFFAOYSA-N 1 3 345.256 2.694 20 0 EFADHO Cc1cc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000414985497 312071677 /nfs/dbraw/zinc/07/16/77/312071677.db2.gz MXAVIWRWYXDKNB-CQSZACIVSA-N 1 3 335.801 2.574 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](CNCc2cc3c(cc2Br)OCO3)C1 ZINC000414986758 312071718 /nfs/dbraw/zinc/07/17/18/312071718.db2.gz CNZAAKDPDZXTSU-PWSUYJOCSA-N 1 3 341.249 2.785 20 0 EFADHO FC(F)(F)[C@@H](CNCc1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000414990894 312072416 /nfs/dbraw/zinc/07/24/16/312072416.db2.gz SAOUMUSTMUHRMG-QGZVFWFLSA-N 1 3 337.389 2.766 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997224 312074449 /nfs/dbraw/zinc/07/44/49/312074449.db2.gz YJHYNAQLUJVZOZ-IUODEOHRSA-N 1 3 349.828 2.697 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415003676 312075854 /nfs/dbraw/zinc/07/58/54/312075854.db2.gz NNAXMGHLBIDUGP-OCCSQVGLSA-N 1 3 344.908 2.741 20 0 EFADHO C[C@H](CCCC[NH3+])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000415012547 312077179 /nfs/dbraw/zinc/07/71/79/312077179.db2.gz JIQVLRUBQKKPNR-LLVKDONJSA-N 1 3 325.819 2.667 20 0 EFADHO COc1cccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1OC(F)F ZINC000415011096 312077354 /nfs/dbraw/zinc/07/73/54/312077354.db2.gz QCVHGMIANOBCBQ-UONOGXRCSA-N 1 3 326.387 2.774 20 0 EFADHO COc1c(Br)cccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415012993 312077666 /nfs/dbraw/zinc/07/76/66/312077666.db2.gz UEDUZTSBTHDSFV-DZGCQCFKSA-N 1 3 339.277 2.935 20 0 EFADHO COC(=O)C1CCC([NH2+]C[C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000415014388 312077694 /nfs/dbraw/zinc/07/76/94/312077694.db2.gz ZLKFBGASNGBKGO-DHRZBBNESA-N 1 3 348.462 2.840 20 0 EFADHO COc1ccc(OCc2ccccn2)c(CN[C@H](C)CCC[NH3+])c1 ZINC000415025436 312078841 /nfs/dbraw/zinc/07/88/41/312078841.db2.gz QZAXWWBEQNBSSJ-OAHLLOKOSA-N 1 3 329.444 2.886 20 0 EFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000415027230 312079350 /nfs/dbraw/zinc/07/93/50/312079350.db2.gz ARICIDVSTHHUGE-GHMZBOCLSA-N 1 3 340.258 2.791 20 0 EFADHO COc1ccc(OCc2nc(CN[C@H]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415043805 312082548 /nfs/dbraw/zinc/08/25/48/312082548.db2.gz SAWOMCIEOHXRJQ-KGLIPLIRSA-N 1 3 347.484 2.948 20 0 EFADHO NC[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CCCC1 ZINC000415063922 312086504 /nfs/dbraw/zinc/08/65/04/312086504.db2.gz JEIRJUKRVQYIAN-FQEVSTJZSA-N 1 3 333.495 2.940 20 0 EFADHO CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415077724 312088799 /nfs/dbraw/zinc/08/87/99/312088799.db2.gz HYJNNCVTXJXSKT-GJZGRUSLSA-N 1 3 335.517 2.647 20 0 EFADHO COc1ccc([C@H](CNC[C@@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000415079297 312089053 /nfs/dbraw/zinc/08/90/53/312089053.db2.gz HUHCMPMWAWPMPH-XLIONFOSSA-N 1 3 331.504 2.811 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000415078080 312089220 /nfs/dbraw/zinc/08/92/20/312089220.db2.gz IESFFSQMNDAEKZ-HSALFYBXSA-N 1 3 343.515 2.575 20 0 EFADHO COc1ccc([C@@H](CNC[C@@]2(C)CC[NH2+]C2)N2CCCCC2)cc1 ZINC000415082402 312089911 /nfs/dbraw/zinc/08/99/11/312089911.db2.gz LRGAWFIDVLRNHC-UXHICEINSA-N 1 3 331.504 2.811 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1Cl ZINC000415083428 312090440 /nfs/dbraw/zinc/09/04/40/312090440.db2.gz FHZMLMDVCROQNB-RYUDHWBXSA-N 1 3 344.286 2.841 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000415085913 312090703 /nfs/dbraw/zinc/09/07/03/312090703.db2.gz UAASRYVFFDANEG-BPQIPLTHSA-N 1 3 329.488 2.972 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCCNCC3)CCOCC2)cc1 ZINC000415086004 312090802 /nfs/dbraw/zinc/09/08/02/312090802.db2.gz JCRMIHZJRFFNCH-GOSISDBHSA-N 1 3 332.488 2.865 20 0 EFADHO CCOc1ccc(C2(CN[C@@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000415086004 312090803 /nfs/dbraw/zinc/09/08/03/312090803.db2.gz JCRMIHZJRFFNCH-GOSISDBHSA-N 1 3 332.488 2.865 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000415088237 312091161 /nfs/dbraw/zinc/09/11/61/312091161.db2.gz VXBOGCZQPIZCBD-GBESFXJTSA-N 1 3 331.504 2.637 20 0 EFADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415089463 312091788 /nfs/dbraw/zinc/09/17/88/312091788.db2.gz XXVUUOPTONATSB-AQNXPRMDSA-N 1 3 338.499 2.984 20 0 EFADHO Cc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415096935 312093185 /nfs/dbraw/zinc/09/31/85/312093185.db2.gz CCNVIIYOKSQVAN-HKUYNNGSSA-N 1 3 331.504 2.869 20 0 EFADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415096936 312093342 /nfs/dbraw/zinc/09/33/42/312093342.db2.gz CCNVIIYOKSQVAN-IEBWSBKVSA-N 1 3 331.504 2.869 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCNC2)CC1)c1ccccc1 ZINC000415099219 312093742 /nfs/dbraw/zinc/09/37/42/312093742.db2.gz GIYSCNLSWBGTOH-YLJYHZDGSA-N 1 3 343.515 2.760 20 0 EFADHO COC(=O)[C@](C)(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110784 312095969 /nfs/dbraw/zinc/09/59/69/312095969.db2.gz SVPWRAXSDJENNT-AJYBTWMASA-N 1 3 330.472 2.628 20 0 EFADHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)s1 ZINC000415120055 312097672 /nfs/dbraw/zinc/09/76/72/312097672.db2.gz FTNHWBBGDUNQOH-AWEZNQCLSA-N 1 3 333.505 2.933 20 0 EFADHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)s1 ZINC000415120055 312097674 /nfs/dbraw/zinc/09/76/74/312097674.db2.gz FTNHWBBGDUNQOH-AWEZNQCLSA-N 1 3 333.505 2.933 20 0 EFADHO CC(C)(C)c1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000415120055 312097676 /nfs/dbraw/zinc/09/76/76/312097676.db2.gz FTNHWBBGDUNQOH-AWEZNQCLSA-N 1 3 333.505 2.933 20 0 EFADHO [NH3+]Cc1cn([C@H]2CCCN(Cc3ccc(-c4ccccc4)o3)C2)nn1 ZINC000415123735 312098535 /nfs/dbraw/zinc/09/85/35/312098535.db2.gz JOMZFEUIANJNCM-KRWDZBQOSA-N 1 3 337.427 2.834 20 0 EFADHO COc1cccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)c1 ZINC000415134584 312101004 /nfs/dbraw/zinc/10/10/04/312101004.db2.gz OXAHECAMISWNHW-UHFFFAOYSA-N 1 3 339.483 2.778 20 0 EFADHO COc1ccc(Oc2ccc(CN3CCC(O)(C[NH3+])CC3)cc2)cc1 ZINC000415136660 312101367 /nfs/dbraw/zinc/10/13/67/312101367.db2.gz CWZBSNZBGSIRNI-UHFFFAOYSA-N 1 3 342.439 2.773 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)c(OCCN(C)C)c1 ZINC000415207143 312114045 /nfs/dbraw/zinc/11/40/45/312114045.db2.gz TZDMBXIMXQHRIB-KRWDZBQOSA-N 1 3 348.491 2.574 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000415880859 312178563 /nfs/dbraw/zinc/17/85/63/312178563.db2.gz HBZUAGRHORQDAS-UHFFFAOYSA-N 1 3 330.476 2.766 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000415936997 312181289 /nfs/dbraw/zinc/18/12/89/312181289.db2.gz WTRBCJKJGXFAMB-IBGZPJMESA-N 1 3 340.471 2.700 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000415936998 312181360 /nfs/dbraw/zinc/18/13/60/312181360.db2.gz WTRBCJKJGXFAMB-LJQANCHMSA-N 1 3 340.471 2.700 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000415939059 312181680 /nfs/dbraw/zinc/18/16/80/312181680.db2.gz ZUAXKCUFAQXLIT-GOSISDBHSA-N 1 3 326.444 2.830 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccco1 ZINC000415944993 312182843 /nfs/dbraw/zinc/18/28/43/312182843.db2.gz BQHUFQSAEGFOPY-XJKSGUPXSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@H]1[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCN1C ZINC000415957404 312184883 /nfs/dbraw/zinc/18/48/83/312184883.db2.gz UNGZPZVIOKGXCI-IINYFYTJSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000415957957 312184997 /nfs/dbraw/zinc/18/49/97/312184997.db2.gz NDLDORXWEPFMEP-RDTXWAMCSA-N 1 3 326.444 2.958 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415957361 312185154 /nfs/dbraw/zinc/18/51/54/312185154.db2.gz UGEKVGUJLGUIMZ-UHFFFAOYSA-N 1 3 344.381 2.722 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000415958990 312185627 /nfs/dbraw/zinc/18/56/27/312185627.db2.gz OSIPSLZMZSEASG-UHFFFAOYSA-N 1 3 338.455 2.931 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)CNCCO2 ZINC000415968939 312187217 /nfs/dbraw/zinc/18/72/17/312187217.db2.gz GAYDADBZDOWSJD-UHFFFAOYSA-N 1 3 346.475 2.556 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415970653 312187645 /nfs/dbraw/zinc/18/76/45/312187645.db2.gz FODZNTVNQSOMQG-IBGZPJMESA-N 1 3 338.455 2.931 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000415982092 312189917 /nfs/dbraw/zinc/18/99/17/312189917.db2.gz DBAKIAQSPRLPMP-IBGZPJMESA-N 1 3 340.471 2.700 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccsc1 ZINC000417009893 312194293 /nfs/dbraw/zinc/19/42/93/312194293.db2.gz OABCSFVRRCPSSP-IJEWVQPXSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1ccsc1 ZINC000417009893 312194294 /nfs/dbraw/zinc/19/42/94/312194294.db2.gz OABCSFVRRCPSSP-IJEWVQPXSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccsc1 ZINC000417010488 312194519 /nfs/dbraw/zinc/19/45/19/312194519.db2.gz PGCSIISJDABMDS-CVEARBPZSA-N 1 3 338.521 2.654 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417329754 312209737 /nfs/dbraw/zinc/20/97/37/312209737.db2.gz NJBCKRMNNCJJPE-DLBZAZTESA-N 1 3 338.540 2.657 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417351280 312212494 /nfs/dbraw/zinc/21/24/94/312212494.db2.gz BYTCJVISZRXLDR-MOPGFXCFSA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000417351811 312213033 /nfs/dbraw/zinc/21/30/33/312213033.db2.gz DNVLCPJLUGVEJI-MJGOQNOKSA-N 1 3 346.519 2.949 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000417354173 312213198 /nfs/dbraw/zinc/21/31/98/312213198.db2.gz LFALVALEEPYNFK-FUHWJXTLSA-N 1 3 332.492 2.559 20 0 EFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000417357632 312213617 /nfs/dbraw/zinc/21/36/17/312213617.db2.gz HAQHMSJHUPYXAS-MSOLQXFVSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000417359221 312214159 /nfs/dbraw/zinc/21/41/59/312214159.db2.gz VISARTPLQWLDDF-LMMKCTJWSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)C2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000417362360 312214576 /nfs/dbraw/zinc/21/45/76/312214576.db2.gz ZYYMHDFSDAQDDE-LJQANCHMSA-N 1 3 344.503 2.525 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417471582 312227503 /nfs/dbraw/zinc/22/75/03/312227503.db2.gz VMJAESYJCJBERO-UHFFFAOYSA-N 1 3 332.492 2.601 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000417508678 312232527 /nfs/dbraw/zinc/23/25/27/312232527.db2.gz TZUCFBPHCZGIBC-IBGZPJMESA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000417553829 312239227 /nfs/dbraw/zinc/23/92/27/312239227.db2.gz VLMZBBXJRJREBC-RDTXWAMCSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000417553829 312239229 /nfs/dbraw/zinc/23/92/29/312239229.db2.gz VLMZBBXJRJREBC-RDTXWAMCSA-N 1 3 332.492 2.592 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417558747 312239853 /nfs/dbraw/zinc/23/98/53/312239853.db2.gz WBSGKJFMCJVZHO-LJQANCHMSA-N 1 3 344.503 2.744 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417558747 312239856 /nfs/dbraw/zinc/23/98/56/312239856.db2.gz WBSGKJFMCJVZHO-LJQANCHMSA-N 1 3 344.503 2.744 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000417576867 312242761 /nfs/dbraw/zinc/24/27/61/312242761.db2.gz IIOXFFVVHGNWNS-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417579869 312243408 /nfs/dbraw/zinc/24/34/08/312243408.db2.gz BWISYFJFVGGCBP-QZTJIDSGSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417622041 312248513 /nfs/dbraw/zinc/24/85/13/312248513.db2.gz HYWBHFKXXUXVAI-HNNXBMFYSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417620781 312248647 /nfs/dbraw/zinc/24/86/47/312248647.db2.gz GNALAFZZMVVRGV-BFYDXBDKSA-N 1 3 332.492 2.556 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCCC[NH2+]C1CC1)c1ccccc1 ZINC000417624564 312249103 /nfs/dbraw/zinc/24/91/03/312249103.db2.gz LBDFJPBHOYIUIL-HNNXBMFYSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000417624459 312249174 /nfs/dbraw/zinc/24/91/74/312249174.db2.gz KSXPUQVQKUWUDW-OXJNMPFZSA-N 1 3 346.519 2.805 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417632464 312249947 /nfs/dbraw/zinc/24/99/47/312249947.db2.gz SUQZCQGZGPYXDB-NVXWUHKLSA-N 1 3 332.492 2.509 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417632467 312249959 /nfs/dbraw/zinc/24/99/59/312249959.db2.gz SUQZCQGZGPYXDB-WBVHZDCISA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000417635831 312250581 /nfs/dbraw/zinc/25/05/81/312250581.db2.gz WXGRXVFDKRDTGD-BQFCYCMXSA-N 1 3 346.519 2.933 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417677538 312255430 /nfs/dbraw/zinc/25/54/30/312255430.db2.gz FXZXIRLSGORSGM-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417677546 312255556 /nfs/dbraw/zinc/25/55/56/312255556.db2.gz FYMLRJPDEIOGCM-OXJNMPFZSA-N 1 3 344.503 2.592 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417692581 312257721 /nfs/dbraw/zinc/25/77/21/312257721.db2.gz OLXBWURNPUWCNS-CVEARBPZSA-N 1 3 332.492 2.509 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000417695128 312257933 /nfs/dbraw/zinc/25/79/33/312257933.db2.gz TYENIMJTFQFUQH-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417697941 312258367 /nfs/dbraw/zinc/25/83/67/312258367.db2.gz XCFGQSALRGMWCM-ZACQAIPSSA-N 1 3 344.503 2.591 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417699104 312258603 /nfs/dbraw/zinc/25/86/03/312258603.db2.gz YUHYENMPNXRPGM-APWZRJJASA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417699234 312258702 /nfs/dbraw/zinc/25/87/02/312258702.db2.gz GXSARILJIBFZNR-JQHSSLGASA-N 1 3 344.503 2.652 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417743867 312264611 /nfs/dbraw/zinc/26/46/11/312264611.db2.gz DLFYABJGGSJXCS-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417816046 312273843 /nfs/dbraw/zinc/27/38/43/312273843.db2.gz BYUNKCXBEFCFPF-QXAKKESOSA-N 1 3 346.519 2.570 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH3+] ZINC000417817293 312274374 /nfs/dbraw/zinc/27/43/74/312274374.db2.gz DLMMIOYWWWVWEM-WMZOPIPTSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417818475 312274714 /nfs/dbraw/zinc/27/47/14/312274714.db2.gz FMUSCTMBTZIFLV-FUHWJXTLSA-N 1 3 346.519 2.523 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417824571 312276517 /nfs/dbraw/zinc/27/65/17/312276517.db2.gz AGIGWUOONLUBMB-ZIFCJYIRSA-N 1 3 346.519 2.856 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417836912 312278754 /nfs/dbraw/zinc/27/87/54/312278754.db2.gz LVJNLMPBUBSZEF-SJLPKXTDSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000417845543 312280312 /nfs/dbraw/zinc/28/03/12/312280312.db2.gz IRKUKELQXAFJNI-GBESFXJTSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000417848562 312280995 /nfs/dbraw/zinc/28/09/95/312280995.db2.gz VOTLKDXGYHJJKW-GWFLUQINSA-N 1 3 344.503 2.609 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000417852878 312282352 /nfs/dbraw/zinc/28/23/52/312282352.db2.gz ZSQNZRLFQITZMM-SJLPKXTDSA-N 1 3 346.519 2.856 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000417858096 312283604 /nfs/dbraw/zinc/28/36/04/312283604.db2.gz USVVATKGVVUISJ-QZTJIDSGSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000417858098 312283907 /nfs/dbraw/zinc/28/39/07/312283907.db2.gz USVVATKGVVUISJ-ZWKOTPCHSA-N 1 3 329.488 2.561 20 0 EFADHO CC1(C)C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CO1 ZINC000417895590 312291111 /nfs/dbraw/zinc/29/11/11/312291111.db2.gz ZPAIQHBNFKQNER-FQEVSTJZSA-N 1 3 345.531 2.742 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000418017112 312309936 /nfs/dbraw/zinc/30/99/36/312309936.db2.gz RZRDMGCEQRIYCO-UHOSZYNNSA-N 1 3 346.519 2.522 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418021702 312310618 /nfs/dbraw/zinc/31/06/18/312310618.db2.gz AAEPSCGGKHWORI-RBUKOAKNSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418035142 312313918 /nfs/dbraw/zinc/31/39/18/312313918.db2.gz OYGXRBOICGRNFM-QRVBRYPASA-N 1 3 346.519 2.570 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418037742 312314204 /nfs/dbraw/zinc/31/42/04/312314204.db2.gz REPUTNGQUCASOE-WMZOPIPTSA-N 1 3 334.508 2.570 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000418043443 312315297 /nfs/dbraw/zinc/31/52/97/312315297.db2.gz ZCSKBUQADBHOSC-QRQLOZEOSA-N 1 3 346.519 2.522 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000418116491 312329415 /nfs/dbraw/zinc/32/94/15/312329415.db2.gz QGQXIGXTVGMSNO-RTBURBONSA-N 1 3 344.503 2.783 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418157993 312336494 /nfs/dbraw/zinc/33/64/94/312336494.db2.gz YALHEEYUWJTCGY-GOSISDBHSA-N 1 3 346.519 2.523 20 0 EFADHO C[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000418183726 312341585 /nfs/dbraw/zinc/34/15/85/312341585.db2.gz OUOHNGXTTBNNBD-RYQLBKOJSA-N 1 3 332.492 2.509 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418182955 312341837 /nfs/dbraw/zinc/34/18/37/312341837.db2.gz NNRRUNUZNQVTGC-RDJZCZTQSA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N(C)C ZINC000418184148 312342231 /nfs/dbraw/zinc/34/22/31/312342231.db2.gz PMDOXISJQDJVEJ-DWRORGKVSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C ZINC000418188452 312342711 /nfs/dbraw/zinc/34/27/11/312342711.db2.gz ULJNQNDVMGFAMY-NUJGCVRESA-N 1 3 334.508 2.659 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C ZINC000418188450 312342840 /nfs/dbraw/zinc/34/28/40/312342840.db2.gz ULJNQNDVMGFAMY-BQFCYCMXSA-N 1 3 334.508 2.659 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])N(C)C)cc1 ZINC000418188208 312342878 /nfs/dbraw/zinc/34/28/78/312342878.db2.gz GADAIYVWHLYBTR-YJBOKZPZSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418190858 312343400 /nfs/dbraw/zinc/34/34/00/312343400.db2.gz JVVAUOGUQVZQRD-APWZRJJASA-N 1 3 348.535 2.914 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418191307 312343520 /nfs/dbraw/zinc/34/35/20/312343520.db2.gz XFDPFNSURBNNAU-CJNGLKHVSA-N 1 3 340.899 2.712 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCC[C@H]1C[NH3+])N(C)C ZINC000418191067 312343619 /nfs/dbraw/zinc/34/36/19/312343619.db2.gz XCZWXHORWDURKI-RYRKJORJSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000418193354 312344347 /nfs/dbraw/zinc/34/43/47/312344347.db2.gz ZLBDXSGTADQHPP-DFEOGRTESA-N 1 3 346.519 2.674 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000418193837 312344659 /nfs/dbraw/zinc/34/46/59/312344659.db2.gz NVLNNYAJZMTNTG-MOPGFXCFSA-N 1 3 346.519 2.524 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000418207839 312347010 /nfs/dbraw/zinc/34/70/10/312347010.db2.gz CHJKVRRLKHOOAY-MAUKXSAKSA-N 1 3 334.508 2.668 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000418234885 312351379 /nfs/dbraw/zinc/35/13/79/312351379.db2.gz JTQDKVNMFZMBQR-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418235449 312351840 /nfs/dbraw/zinc/35/18/40/312351840.db2.gz KVDMNMRNHWTGAS-BZSNNMDCSA-N 1 3 338.540 2.561 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418248695 312353765 /nfs/dbraw/zinc/35/37/65/312353765.db2.gz SBYVGDALTOYSIO-KRWDZBQOSA-N 1 3 346.519 2.858 20 0 EFADHO NC[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000418294079 312357945 /nfs/dbraw/zinc/35/79/45/312357945.db2.gz GPYMELICXWHGPT-GOSISDBHSA-N 1 3 340.471 2.800 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000418294215 312357949 /nfs/dbraw/zinc/35/79/49/312357949.db2.gz HCZFOCUEMBVOLD-UHFFFAOYSA-N 1 3 346.519 2.730 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420341948 312362355 /nfs/dbraw/zinc/36/23/55/312362355.db2.gz OYYAICUFGJXUGZ-ZJOUEHCJSA-N 1 3 341.499 2.575 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342884 312362410 /nfs/dbraw/zinc/36/24/10/312362410.db2.gz QJYHABUIVQRQIE-QFHJOOASSA-N 1 3 341.499 2.674 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342881 312362424 /nfs/dbraw/zinc/36/24/24/312362424.db2.gz QJYHABUIVQRQIE-ISARSNTHSA-N 1 3 341.499 2.674 20 0 EFADHO C[C@H](CCNC(=O)N(C)C[C@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000420788173 312390586 /nfs/dbraw/zinc/39/05/86/312390586.db2.gz DFIYGUXFZRNNCP-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N(C)C[C@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000420788173 312390589 /nfs/dbraw/zinc/39/05/89/312390589.db2.gz DFIYGUXFZRNNCP-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420818079 312396268 /nfs/dbraw/zinc/39/62/68/312396268.db2.gz DIKMFJHOIVBNOU-IPJUCJBFSA-N 1 3 346.519 2.679 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)NC2CCN(c3ccccc3F)C2)CC1 ZINC000420854805 312398183 /nfs/dbraw/zinc/39/81/83/312398183.db2.gz ZVSPKKNRWHVAJR-HWOWSKLDSA-N 1 3 348.466 2.576 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422824084 312410794 /nfs/dbraw/zinc/41/07/94/312410794.db2.gz MUQSSQSPTBCYKP-NEPJUHHUSA-N 1 3 327.856 2.701 20 0 EFADHO N[C@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000423352769 312414577 /nfs/dbraw/zinc/41/45/77/312414577.db2.gz BQHKUGMLDARZME-IBGZPJMESA-N 1 3 329.488 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2cccs2)CC1)[C@H](C)[NH3+] ZINC000423357090 312415210 /nfs/dbraw/zinc/41/52/10/312415210.db2.gz LMCDVRLUZFIKMZ-WMLDXEAASA-N 1 3 337.533 2.696 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000423356614 312415266 /nfs/dbraw/zinc/41/52/66/312415266.db2.gz QWONRXJSDVQOSJ-IUODEOHRSA-N 1 3 339.867 2.607 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000423365513 312416392 /nfs/dbraw/zinc/41/63/92/312416392.db2.gz KHGWTKXTSVAHDH-HOCLYGCPSA-N 1 3 330.476 2.519 20 0 EFADHO Cc1cc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1F ZINC000423375202 312417173 /nfs/dbraw/zinc/41/71/73/312417173.db2.gz CYPUBMYYDCRLPQ-HIFRSBDPSA-N 1 3 347.400 2.929 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423373495 312417310 /nfs/dbraw/zinc/41/73/10/312417310.db2.gz HPOUVWBZYMMHLW-HNNXBMFYSA-N 1 3 337.467 2.819 20 0 EFADHO CC(C)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423373992 312417354 /nfs/dbraw/zinc/41/73/54/312417354.db2.gz CBCHFBHUGZGGHZ-HOTGVXAUSA-N 1 3 329.410 2.809 20 0 EFADHO CC1(C)C[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423377891 312417722 /nfs/dbraw/zinc/41/77/22/312417722.db2.gz FQUSPUSTOISIIH-HOTGVXAUSA-N 1 3 341.421 2.835 20 0 EFADHO Cc1c([C@H](C)NCCC[C@H]2CCC[NH2+]2)nnn1-c1ccc(F)cc1 ZINC000423477465 312422027 /nfs/dbraw/zinc/42/20/27/312422027.db2.gz JXEHJEHLRHPPOX-BBRMVZONSA-N 1 3 331.439 2.898 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423753734 312448865 /nfs/dbraw/zinc/44/88/65/312448865.db2.gz XTZMXCGYSHPATB-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000423835371 312466411 /nfs/dbraw/zinc/46/64/11/312466411.db2.gz DLCZCQPOMKDUTN-KRWDZBQOSA-N 1 3 344.503 2.545 20 0 EFADHO CN(C)[C@@]1(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCSC1 ZINC000424134893 312513237 /nfs/dbraw/zinc/51/32/37/312513237.db2.gz OHVWJWZOSGRLPO-FUHWJXTLSA-N 1 3 341.565 2.618 20 0 EFADHO COc1ccc(OC(F)F)c(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000430959195 312546383 /nfs/dbraw/zinc/54/63/83/312546383.db2.gz XBDRUGPIBGZOPM-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO CN(CCN1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455939823 312998912 /nfs/dbraw/zinc/99/89/12/312998912.db2.gz TUIOQXWMOQPZCT-GOSISDBHSA-N 1 3 330.476 2.795 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NCCN1CCCC[C@H]1CC ZINC000469273337 313120926 /nfs/dbraw/zinc/12/09/26/313120926.db2.gz KZRMJJVVQOJVJT-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475034986 313215163 /nfs/dbraw/zinc/21/51/63/313215163.db2.gz XBFRRCOXSAEJLM-LMMKCTJWSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000475034986 313215167 /nfs/dbraw/zinc/21/51/67/313215167.db2.gz XBFRRCOXSAEJLM-LMMKCTJWSA-N 1 3 331.504 2.916 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)CNC(C)(C)c1cccs1)c1ccccc1 ZINC000475144228 313219288 /nfs/dbraw/zinc/21/92/88/313219288.db2.gz GLBRBTLJRIZSPV-MRXNPFEDSA-N 1 3 345.512 2.992 20 0 EFADHO Cc1cc(NC2CCN(CCOc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000477747504 313244211 /nfs/dbraw/zinc/24/42/11/313244211.db2.gz QHXBOVRLNCFICC-UHFFFAOYSA-N 1 3 329.419 2.906 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000479318616 313264981 /nfs/dbraw/zinc/26/49/81/313264981.db2.gz SGUVAVFQQMOKJZ-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000479318616 313264983 /nfs/dbraw/zinc/26/49/83/313264983.db2.gz SGUVAVFQQMOKJZ-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000479318620 313265121 /nfs/dbraw/zinc/26/51/21/313265121.db2.gz SGUVAVFQQMOKJZ-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000479318620 313265122 /nfs/dbraw/zinc/26/51/22/313265122.db2.gz SGUVAVFQQMOKJZ-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCCN1CCC[C@H](C)C1 ZINC000479381689 313266828 /nfs/dbraw/zinc/26/68/28/313266828.db2.gz VGWMIVUMJNAQAH-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479478781 313269270 /nfs/dbraw/zinc/26/92/70/313269270.db2.gz XLTWOBHUDULCTD-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479478781 313269273 /nfs/dbraw/zinc/26/92/73/313269273.db2.gz XLTWOBHUDULCTD-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479478783 313269298 /nfs/dbraw/zinc/26/92/98/313269298.db2.gz XLTWOBHUDULCTD-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479478783 313269301 /nfs/dbraw/zinc/26/93/01/313269301.db2.gz XLTWOBHUDULCTD-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCCCC2)[C@@H](C)C1 ZINC000480088660 313278697 /nfs/dbraw/zinc/27/86/97/313278697.db2.gz IRRPUCMBTJZPOV-RBUKOAKNSA-N 1 3 339.568 2.978 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000481006038 313286446 /nfs/dbraw/zinc/28/64/46/313286446.db2.gz XBJVPZDJEUVEAP-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483810328 313316108 /nfs/dbraw/zinc/31/61/08/313316108.db2.gz UDFZSAYVTGXKOS-ZXTQRBJTSA-N 1 3 342.886 2.948 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483810328 313316111 /nfs/dbraw/zinc/31/61/11/313316111.db2.gz UDFZSAYVTGXKOS-ZXTQRBJTSA-N 1 3 342.886 2.948 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CCCC1 ZINC000484777523 313323160 /nfs/dbraw/zinc/32/31/60/313323160.db2.gz QVLGJMHVKXQBHO-WTGUMLROSA-N 1 3 337.552 2.634 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000487425180 313392138 /nfs/dbraw/zinc/39/21/38/313392138.db2.gz FJBVNWFDBRFFQM-OXJNMPFZSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC1CC[NH+](C)CC1)N(C)C ZINC000487425184 313392264 /nfs/dbraw/zinc/39/22/64/313392264.db2.gz FJBVNWFDBRFFQM-UZLBHIALSA-N 1 3 331.504 2.834 20 0 EFADHO CC1CCN([C@H](CNC(=O)/C=C\C[NH+](C)C)c2cccs2)CC1 ZINC000491632096 313771439 /nfs/dbraw/zinc/77/14/39/313771439.db2.gz GBCQXPCLSWGZHP-HQQUCIOCSA-N 1 3 335.517 2.755 20 0 EFADHO CN(C)C/C=C\C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000491875421 313798804 /nfs/dbraw/zinc/79/88/04/313798804.db2.gz YNQIKIWPEZEDEP-XFXZXTDPSA-N 1 3 329.488 2.797 20 0 EFADHO Cc1cc(NC(=O)/C=C\CN(C)C)ccc1OCC[NH+]1CCCC1 ZINC000491890751 313803294 /nfs/dbraw/zinc/80/32/94/313803294.db2.gz XYHCXVDWNYLYPN-SREVYHEPSA-N 1 3 331.460 2.526 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000493473517 314369659 /nfs/dbraw/zinc/36/96/59/314369659.db2.gz NICGVVMGPCAWBD-OWCLPIDISA-N 1 3 327.513 2.856 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000493473517 314369660 /nfs/dbraw/zinc/36/96/60/314369660.db2.gz NICGVVMGPCAWBD-OWCLPIDISA-N 1 3 327.513 2.856 20 0 EFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496108865 314947729 /nfs/dbraw/zinc/94/77/29/314947729.db2.gz UTQQJVXAYOIROF-NUJGCVRESA-N 1 3 331.460 2.628 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496269140 315006119 /nfs/dbraw/zinc/00/61/19/315006119.db2.gz ZQMFLLVNLHNUIR-VQIMIIECSA-N 1 3 345.487 2.765 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](NC[C@@]3(C)CC[NH2+]C3)C[C@H]2C1 ZINC000496354590 315037512 /nfs/dbraw/zinc/03/75/12/315037512.db2.gz CEGUAQDKHLREMX-GGXPGOJBSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCCN2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496381769 315047512 /nfs/dbraw/zinc/04/75/12/315047512.db2.gz HCZJRBOGENERBF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCCN2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496381769 315047515 /nfs/dbraw/zinc/04/75/15/315047515.db2.gz HCZJRBOGENERBF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO CC1([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CCNCC1 ZINC000496418500 315059886 /nfs/dbraw/zinc/05/98/86/315059886.db2.gz ICILEHKWWKURHL-UHFFFAOYSA-N 1 3 345.487 2.767 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000496459272 315073805 /nfs/dbraw/zinc/07/38/05/315073805.db2.gz KOEJMGKXOBBKQN-INIZCTEOSA-N 1 3 325.497 2.563 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462691 315075124 /nfs/dbraw/zinc/07/51/24/315075124.db2.gz RGQJDLBWWVEVGV-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462691 315075126 /nfs/dbraw/zinc/07/51/26/315075126.db2.gz RGQJDLBWWVEVGV-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462691 315075128 /nfs/dbraw/zinc/07/51/28/315075128.db2.gz RGQJDLBWWVEVGV-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462691 315075130 /nfs/dbraw/zinc/07/51/30/315075130.db2.gz RGQJDLBWWVEVGV-IAGOWNOFSA-N 1 3 339.524 2.907 20 0 EFADHO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000496518289 315096559 /nfs/dbraw/zinc/09/65/59/315096559.db2.gz JCXAVRAEYCBGJZ-CVEARBPZSA-N 1 3 346.475 2.507 20 0 EFADHO CC[C@@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542142 315103701 /nfs/dbraw/zinc/10/37/01/315103701.db2.gz HWRCMMSBBLPDCJ-ARFHVFGLSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542142 315103705 /nfs/dbraw/zinc/10/37/05/315103705.db2.gz HWRCMMSBBLPDCJ-ARFHVFGLSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H](NCC1=CC[N@H+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496639142 315140866 /nfs/dbraw/zinc/14/08/66/315140866.db2.gz HYEPHXKIHYFPNS-CQSZACIVSA-N 1 3 346.475 2.763 20 0 EFADHO C[C@@H](NCC1=CC[N@@H+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496639142 315140868 /nfs/dbraw/zinc/14/08/68/315140868.db2.gz HYEPHXKIHYFPNS-CQSZACIVSA-N 1 3 346.475 2.763 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496677994 315154121 /nfs/dbraw/zinc/15/41/21/315154121.db2.gz BUAYESUMHKXEAG-GGXPGOJBSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000496756232 315183838 /nfs/dbraw/zinc/18/38/38/315183838.db2.gz IQVKSJDIOBHDOH-CVEARBPZSA-N 1 3 339.524 2.953 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000496793020 315197584 /nfs/dbraw/zinc/19/75/84/315197584.db2.gz KSYZYLQXGWGHTN-BZUAXINKSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000496793020 315197586 /nfs/dbraw/zinc/19/75/86/315197586.db2.gz KSYZYLQXGWGHTN-BZUAXINKSA-N 1 3 327.513 2.952 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CN(C)C ZINC000496833670 315213376 /nfs/dbraw/zinc/21/33/76/315213376.db2.gz ADESGFZDDNGXPM-BZUAXINKSA-N 1 3 327.513 2.809 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC000496986256 315267885 /nfs/dbraw/zinc/26/78/85/315267885.db2.gz OLXZDMJNMFGJEZ-HZPDHXFCSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000496986256 315267889 /nfs/dbraw/zinc/26/78/89/315267889.db2.gz OLXZDMJNMFGJEZ-HZPDHXFCSA-N 1 3 335.492 2.602 20 0 EFADHO O=C1O[C@@]2(CN1CN1CCC[C@@H]1C1CCCC1)C[NH+]1CCC2CC1 ZINC000497033652 315285423 /nfs/dbraw/zinc/28/54/23/315285423.db2.gz CDFIDFJZVXPWBD-IEBWSBKVSA-N 1 3 333.476 2.515 20 0 EFADHO C[C@H]1CN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000497032663 315285688 /nfs/dbraw/zinc/28/56/88/315285688.db2.gz GPWIOAFQYBCRPP-QFBILLFUSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1N ZINC000497032663 315285689 /nfs/dbraw/zinc/28/56/89/315285689.db2.gz GPWIOAFQYBCRPP-QFBILLFUSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)CC[C@H]1N ZINC000497032663 315285691 /nfs/dbraw/zinc/28/56/91/315285691.db2.gz GPWIOAFQYBCRPP-QFBILLFUSA-N 1 3 345.487 2.704 20 0 EFADHO CN(CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085912 315304108 /nfs/dbraw/zinc/30/41/08/315304108.db2.gz ZQDJRICLNWIJNQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085912 315304111 /nfs/dbraw/zinc/30/41/11/315304111.db2.gz ZQDJRICLNWIJNQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085912 315304115 /nfs/dbraw/zinc/30/41/15/315304115.db2.gz ZQDJRICLNWIJNQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085912 315304118 /nfs/dbraw/zinc/30/41/18/315304118.db2.gz ZQDJRICLNWIJNQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)CC(C)C ZINC000497126766 315318937 /nfs/dbraw/zinc/31/89/37/315318937.db2.gz HQDWSEUFEIFQCG-XJKSGUPXSA-N 1 3 336.480 2.660 20 0 EFADHO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)CC(C)C ZINC000497126761 315319325 /nfs/dbraw/zinc/31/93/25/315319325.db2.gz HQDWSEUFEIFQCG-CJNGLKHVSA-N 1 3 336.480 2.660 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178825 315339111 /nfs/dbraw/zinc/33/91/11/315339111.db2.gz PODSKVWSJXQKTH-OAHLLOKOSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178825 315339113 /nfs/dbraw/zinc/33/91/13/315339113.db2.gz PODSKVWSJXQKTH-OAHLLOKOSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178825 315339115 /nfs/dbraw/zinc/33/91/15/315339115.db2.gz PODSKVWSJXQKTH-OAHLLOKOSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H](C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000497235489 315360942 /nfs/dbraw/zinc/36/09/42/315360942.db2.gz GMJPGHDAWMYOJE-OAHLLOKOSA-N 1 3 325.497 2.613 20 0 EFADHO O=C1O[C@@]2(CN1CN(CC1CC1)C1CCCCC1)C[NH+]1CCC2CC1 ZINC000497263516 315371705 /nfs/dbraw/zinc/37/17/05/315371705.db2.gz UAMOIRGMFMYDQZ-HXUWFJFHSA-N 1 3 347.503 2.905 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCCNC2CC2)CC1 ZINC000497305193 315386506 /nfs/dbraw/zinc/38/65/06/315386506.db2.gz NXGNEROFVOLGDE-INIZCTEOSA-N 1 3 331.460 2.772 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000501931650 315430657 /nfs/dbraw/zinc/43/06/57/315430657.db2.gz VSOZDVZSGKAJEM-XLIONFOSSA-N 1 3 343.515 2.854 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000516915187 315717672 /nfs/dbraw/zinc/71/76/72/315717672.db2.gz AHFAHDCROCCQPD-UHFFFAOYSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@H](NC[C@@H]1CSCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000517229713 315747625 /nfs/dbraw/zinc/74/76/25/315747625.db2.gz IOKXJRNRWVJDBS-YTQUADARSA-N 1 3 333.545 2.582 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000517731103 315777513 /nfs/dbraw/zinc/77/75/13/315777513.db2.gz MPYARAAKBIUYIG-SFHVURJKSA-N 1 3 329.488 2.703 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)C ZINC000519819988 315918695 /nfs/dbraw/zinc/91/86/95/315918695.db2.gz BTWNOXHXIJBNJJ-RDJZCZTQSA-N 1 3 339.911 2.688 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000521862568 316047692 /nfs/dbraw/zinc/04/76/92/316047692.db2.gz DFIZBOOIKIVQLB-SFHVURJKSA-N 1 3 334.504 2.896 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000523438843 316123421 /nfs/dbraw/zinc/12/34/21/316123421.db2.gz SNVVJSVMLAXAFM-MSOLQXFVSA-N 1 3 343.515 2.773 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000524156179 316147989 /nfs/dbraw/zinc/14/79/89/316147989.db2.gz PZJLTWUYWGTGGI-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000524156179 316147993 /nfs/dbraw/zinc/14/79/93/316147993.db2.gz PZJLTWUYWGTGGI-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000524425754 316157397 /nfs/dbraw/zinc/15/73/97/316157397.db2.gz OWBUCNVHWPCYKE-NZSAHSFTSA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000524774521 316173664 /nfs/dbraw/zinc/17/36/64/316173664.db2.gz MDQGTWKIEWGOPB-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1 ZINC000524774521 316173667 /nfs/dbraw/zinc/17/36/67/316173667.db2.gz MDQGTWKIEWGOPB-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1)C1CC1 ZINC000525292675 316207276 /nfs/dbraw/zinc/20/72/76/316207276.db2.gz NRAZRIOZGBYPHL-MRXNPFEDSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1)C1CC1 ZINC000525292675 316207281 /nfs/dbraw/zinc/20/72/81/316207281.db2.gz NRAZRIOZGBYPHL-MRXNPFEDSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525437816 316214846 /nfs/dbraw/zinc/21/48/46/316214846.db2.gz BOQCEDIDFBFEAX-ROUUACIJSA-N 1 3 340.556 2.726 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC000525484853 316216394 /nfs/dbraw/zinc/21/63/94/316216394.db2.gz UTGVABXYKGWDAU-BJLQDIEVSA-N 1 3 345.531 2.929 20 0 EFADHO O=C1[C@H]([NH2+]C2CCN(CC3CC3)CC2)CCCN1C1CCCCC1 ZINC000525954963 316262522 /nfs/dbraw/zinc/26/25/22/316262522.db2.gz WCFLLXCJMJVQCR-LJQANCHMSA-N 1 3 333.520 2.774 20 0 EFADHO CCOC(=O)[C@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000526062053 316285231 /nfs/dbraw/zinc/28/52/31/316285231.db2.gz UHCXEBFNTDCOCY-OAQYLSRUSA-N 1 3 344.499 2.971 20 0 EFADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000526107500 316293532 /nfs/dbraw/zinc/29/35/32/316293532.db2.gz GFTCJNLEVNVXNY-OAQYLSRUSA-N 1 3 347.547 2.843 20 0 EFADHO O[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000527100529 316334161 /nfs/dbraw/zinc/33/41/61/316334161.db2.gz KDOIYDGTXZCANE-HOCLYGCPSA-N 1 3 334.426 2.934 20 0 EFADHO CSCc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000527125823 316337943 /nfs/dbraw/zinc/33/79/43/316337943.db2.gz YTIWLBXNCXPDAK-UHFFFAOYSA-N 1 3 338.521 2.507 20 0 EFADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCN1C1CCCC1 ZINC000530025602 317028121 /nfs/dbraw/zinc/02/81/21/317028121.db2.gz DTFLNPZKOUZDNW-FQEVSTJZSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCN1C1CCCC1 ZINC000530025602 317028125 /nfs/dbraw/zinc/02/81/25/317028125.db2.gz DTFLNPZKOUZDNW-FQEVSTJZSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530028213 317030602 /nfs/dbraw/zinc/03/06/02/317030602.db2.gz PSJZCUVUMOKQCR-ICSRJNTNSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530028213 317030606 /nfs/dbraw/zinc/03/06/06/317030606.db2.gz PSJZCUVUMOKQCR-ICSRJNTNSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000530219405 317083490 /nfs/dbraw/zinc/08/34/90/317083490.db2.gz LRUQYCJGXDAVOA-QGZVFWFLSA-N 1 3 347.890 2.819 20 0 EFADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000530225382 317085250 /nfs/dbraw/zinc/08/52/50/317085250.db2.gz YXVLWJHGSYJVNC-HGMXIMQMSA-N 1 3 339.842 2.692 20 0 EFADHO c1ccc2c(c1)ccnc2CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248127 317091463 /nfs/dbraw/zinc/09/14/63/317091463.db2.gz GPBDXSGURNYNLG-SFHVURJKSA-N 1 3 325.456 2.825 20 0 EFADHO CCc1ccc([C@@H](C)CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530881321 317190700 /nfs/dbraw/zinc/19/07/00/317190700.db2.gz RDNBMTAZDSDJNY-KRWDZBQOSA-N 1 3 333.520 2.694 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531941075 317334792 /nfs/dbraw/zinc/33/47/92/317334792.db2.gz JNBBZIHLPABURQ-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCCN2CCCC2=O)CC1 ZINC000532165057 317364993 /nfs/dbraw/zinc/36/49/93/317364993.db2.gz PSKTVKSWMNQOPW-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCCN2CCCC2=O)CC1 ZINC000532165057 317364997 /nfs/dbraw/zinc/36/49/97/317364997.db2.gz PSKTVKSWMNQOPW-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C2CCC1CC2 ZINC000532466957 317404916 /nfs/dbraw/zinc/40/49/16/317404916.db2.gz YOIUHKAOPUAPJG-DZIBYMRMSA-N 1 3 341.499 2.783 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(CC)CC ZINC000537295750 317666970 /nfs/dbraw/zinc/66/69/70/317666970.db2.gz MYGJEPXYFBBUFS-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000541823821 317790915 /nfs/dbraw/zinc/79/09/15/317790915.db2.gz SZSHIVQQYCQYGR-WBVHZDCISA-N 1 3 340.556 2.725 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)CC1 ZINC000543678586 317858404 /nfs/dbraw/zinc/85/84/04/317858404.db2.gz WTNKFHYIUBUNRW-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(O)CCN(C(C)C)CC2)c1 ZINC000544017959 317872756 /nfs/dbraw/zinc/87/27/56/317872756.db2.gz PMUUNEUJERRHBO-QGZVFWFLSA-N 1 3 347.503 2.537 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccnn1-c1ccccc1 ZINC000547393991 318003274 /nfs/dbraw/zinc/00/32/74/318003274.db2.gz RMWSDSVQOODQAK-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000552047060 318240100 /nfs/dbraw/zinc/24/01/00/318240100.db2.gz YQSHPUPXORJSFU-YJBOKZPZSA-N 1 3 340.458 2.968 20 0 EFADHO O=C(C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)NCCN1CCCCCC1 ZINC000552064608 318241000 /nfs/dbraw/zinc/24/10/00/318241000.db2.gz BBBKWTLXOYTTDL-UXHICEINSA-N 1 3 343.515 2.905 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCCC[NH+](C)C ZINC000552721752 318261937 /nfs/dbraw/zinc/26/19/37/318261937.db2.gz NGIQWARBSBLSSV-UHFFFAOYSA-N 1 3 346.519 2.878 20 0 EFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCCC[NH+](C)C ZINC000552788093 318263281 /nfs/dbraw/zinc/26/32/81/318263281.db2.gz NBTQQEVOLDYVRZ-UHFFFAOYSA-N 1 3 341.446 2.587 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009002 318343437 /nfs/dbraw/zinc/34/34/37/318343437.db2.gz DVFVEZBTCQWQNU-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)CCCC[NH+](C)C)CC1 ZINC000555900218 318373687 /nfs/dbraw/zinc/37/36/87/318373687.db2.gz JPCULZJWICWOGF-UHFFFAOYSA-N 1 3 331.504 2.841 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1Cl ZINC000556127177 318379839 /nfs/dbraw/zinc/37/98/39/318379839.db2.gz YGIQDIRCDQDVPS-UHFFFAOYSA-N 1 3 346.302 2.867 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556584535 318394244 /nfs/dbraw/zinc/39/42/44/318394244.db2.gz WJRGARKQGZUFKX-PMACEKPBSA-N 1 3 345.531 2.850 20 0 EFADHO CCCCC1CCC(C(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000556690040 318399105 /nfs/dbraw/zinc/39/91/05/318399105.db2.gz XIEDZKQZXXKKKL-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO [NH3+]CCC1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000563275934 318762223 /nfs/dbraw/zinc/76/22/23/318762223.db2.gz RDJFHFNUVHLGML-UHFFFAOYSA-N 1 3 343.515 2.529 20 0 EFADHO CCc1c2ccccc2oc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563779727 318815311 /nfs/dbraw/zinc/81/53/11/318815311.db2.gz BSPSFGFEZFHJSM-UHFFFAOYSA-N 1 3 331.460 2.561 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000563880556 318825119 /nfs/dbraw/zinc/82/51/19/318825119.db2.gz XFQCTSRLQIVMMT-DZGCQCFKSA-N 1 3 330.501 2.982 20 0 EFADHO C[C@@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H](N)c1ccccc1 ZINC000564656792 318878555 /nfs/dbraw/zinc/87/85/55/318878555.db2.gz ZLEBJTNRQKIARI-LZOCWMOGSA-N 1 3 341.499 2.592 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@H](N)C3)CCOCC2)cc1 ZINC000565225582 318949028 /nfs/dbraw/zinc/94/90/28/318949028.db2.gz FZTUCUVCGVBPFE-ROUUACIJSA-N 1 3 332.488 2.993 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[NH2+]C(C)C ZINC000565529073 318979424 /nfs/dbraw/zinc/97/94/24/318979424.db2.gz HTIPPYBHAJDFQK-UHFFFAOYSA-N 1 3 326.529 2.672 20 0 EFADHO Cn1ccnc1COc1ccc(CN2CCC(CC[NH3+])CC2)cc1 ZINC000565719299 318996291 /nfs/dbraw/zinc/99/62/91/318996291.db2.gz IFQXNPNBCCOQHY-UHFFFAOYSA-N 1 3 328.460 2.560 20 0 EFADHO c1ncn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)n1 ZINC000566090994 319031121 /nfs/dbraw/zinc/03/11/21/319031121.db2.gz LTWGZBIJCBEFTA-CEXWTWQISA-N 1 3 325.460 2.668 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2cccs2)C1 ZINC000566116146 319034858 /nfs/dbraw/zinc/03/48/58/319034858.db2.gz UNJNLDWBYCOKKT-DLBZAZTESA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2cccs2)C1 ZINC000566116146 319034860 /nfs/dbraw/zinc/03/48/60/319034860.db2.gz UNJNLDWBYCOKKT-DLBZAZTESA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000566116146 319034863 /nfs/dbraw/zinc/03/48/63/319034863.db2.gz UNJNLDWBYCOKKT-DLBZAZTESA-N 1 3 340.533 2.583 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000566131501 319037860 /nfs/dbraw/zinc/03/78/60/319037860.db2.gz MAKOCPVWFUCUAM-BBRMVZONSA-N 1 3 342.405 2.849 20 0 EFADHO CN(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000566182458 319045294 /nfs/dbraw/zinc/04/52/94/319045294.db2.gz IZBHINXQGXDMID-SFHVURJKSA-N 1 3 343.858 2.976 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)C1CCCCC1 ZINC000566289026 319058110 /nfs/dbraw/zinc/05/81/10/319058110.db2.gz SWOZSJYDHZVHEN-RTBURBONSA-N 1 3 329.488 2.500 20 0 EFADHO CC[C@H]1CCC[C@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566628211 319096471 /nfs/dbraw/zinc/09/64/71/319096471.db2.gz AVCVMXMJFYWAFT-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H](C)CC3(C)C)CC2)CC1 ZINC000566806151 319112588 /nfs/dbraw/zinc/11/25/88/319112588.db2.gz OSTBIZJCIHIREY-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000566915123 319121715 /nfs/dbraw/zinc/12/17/15/319121715.db2.gz GGJFYQHHFFJOKO-WOJBJXKFSA-N 1 3 347.547 2.878 20 0 EFADHO CSc1ccc([C@H](CNC(=O)CN2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000566982258 319128585 /nfs/dbraw/zinc/12/85/85/319128585.db2.gz DINIBJKLZNSXQH-KRWDZBQOSA-N 1 3 349.544 2.859 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000567226888 319150962 /nfs/dbraw/zinc/15/09/62/319150962.db2.gz VSXGTAFGKHEKJX-YTQUADARSA-N 1 3 347.478 2.764 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC000567228082 319151281 /nfs/dbraw/zinc/15/12/81/319151281.db2.gz FJVZJASCCTYIKA-PXNSSMCTSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000567648451 319192123 /nfs/dbraw/zinc/19/21/23/319192123.db2.gz YUROMULYKOMWRI-SWLSCSKDSA-N 1 3 334.851 2.910 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000567647695 319192438 /nfs/dbraw/zinc/19/24/38/319192438.db2.gz LDEWGDAZNLBDGU-SWLSCSKDSA-N 1 3 334.851 2.910 20 0 EFADHO N[C@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000567661445 319193151 /nfs/dbraw/zinc/19/31/51/319193151.db2.gz SKEWFPPMZNNDQU-ROUUACIJSA-N 1 3 329.488 2.981 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000567660131 319193233 /nfs/dbraw/zinc/19/32/33/319193233.db2.gz GRJMZPHHBZCCNY-WDSOQIARSA-N 1 3 343.515 2.886 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000567746496 319206404 /nfs/dbraw/zinc/20/64/04/319206404.db2.gz RMFWAAIDTXJJJL-BZUAXINKSA-N 1 3 335.517 2.909 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567752268 319207940 /nfs/dbraw/zinc/20/79/40/319207940.db2.gz DNVNAIBUMADXHL-OLZOCXBDSA-N 1 3 339.867 2.845 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000567752268 319207942 /nfs/dbraw/zinc/20/79/42/319207942.db2.gz DNVNAIBUMADXHL-OLZOCXBDSA-N 1 3 339.867 2.845 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1)C1CC1 ZINC000567847713 319217250 /nfs/dbraw/zinc/21/72/50/319217250.db2.gz YFKRLUNINWJGIK-AEFFLSMTSA-N 1 3 329.488 2.918 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000568148650 319250120 /nfs/dbraw/zinc/25/01/20/319250120.db2.gz GKMFQRPJUMAKEH-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000568148650 319250122 /nfs/dbraw/zinc/25/01/22/319250122.db2.gz GKMFQRPJUMAKEH-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000568156872 319251013 /nfs/dbraw/zinc/25/10/13/319251013.db2.gz IYRWPOVXQWJTHW-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000568227237 319261660 /nfs/dbraw/zinc/26/16/60/319261660.db2.gz VDVBNHJJWVLZAP-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc3ccccc32)CC[N@@H+]1C ZINC000568343779 319272440 /nfs/dbraw/zinc/27/24/40/319272440.db2.gz INETWTAYFNLXAG-NJAFHUGGSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc3ccccc32)CC[N@H+]1C ZINC000568343779 319272441 /nfs/dbraw/zinc/27/24/41/319272441.db2.gz INETWTAYFNLXAG-NJAFHUGGSA-N 1 3 328.456 2.652 20 0 EFADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000568358213 319274087 /nfs/dbraw/zinc/27/40/87/319274087.db2.gz ILYIGVDTNIOINR-IPMKNSEASA-N 1 3 339.487 2.688 20 0 EFADHO CC[C@@H]1C[C@@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568660906 319306946 /nfs/dbraw/zinc/30/69/46/319306946.db2.gz BAXBAXCQYNWDNR-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](O)C1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000568740827 319313850 /nfs/dbraw/zinc/31/38/50/319313850.db2.gz WMTMUXWFRGRMDA-KPFFTGBYSA-N 1 3 330.472 2.629 20 0 EFADHO CC(C)[C@H](O)C1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000568740828 319313980 /nfs/dbraw/zinc/31/39/80/319313980.db2.gz WMTMUXWFRGRMDA-QRFRQXIXSA-N 1 3 330.472 2.629 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000568873732 319326915 /nfs/dbraw/zinc/32/69/15/319326915.db2.gz JTKCUKYDPGFRLW-WFASDCNBSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000568873732 319326917 /nfs/dbraw/zinc/32/69/17/319326917.db2.gz JTKCUKYDPGFRLW-WFASDCNBSA-N 1 3 330.394 2.681 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568882174 319328196 /nfs/dbraw/zinc/32/81/96/319328196.db2.gz WFWRAFLEIPEWGI-GHMZBOCLSA-N 1 3 337.773 2.992 20 0 EFADHO CC[C@]1(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000568887838 319328714 /nfs/dbraw/zinc/32/87/14/319328714.db2.gz LWGPCFVQKUNAMZ-HXUWFJFHSA-N 1 3 344.503 2.679 20 0 EFADHO COc1cccc(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1OC ZINC000568987614 319337929 /nfs/dbraw/zinc/33/79/29/319337929.db2.gz DZJMXPBEFAINJB-QAPCUYQASA-N 1 3 328.456 2.794 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000569083722 319346603 /nfs/dbraw/zinc/34/66/03/319346603.db2.gz PVSMWGRYQMXHML-KRWDZBQOSA-N 1 3 344.503 2.964 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000569214711 319359267 /nfs/dbraw/zinc/35/92/67/319359267.db2.gz ZTBLIYDDJJDPIJ-RBSFLKMASA-N 1 3 326.868 2.542 20 0 EFADHO [NH3+]Cc1ccc(CNC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000569358609 319373768 /nfs/dbraw/zinc/37/37/68/319373768.db2.gz CQAZFXISEBTYJD-UHFFFAOYSA-N 1 3 344.503 2.553 20 0 EFADHO CC(C)CC[C@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000570322883 319465606 /nfs/dbraw/zinc/46/56/06/319465606.db2.gz OJWCCLIUGOPVDW-FQEVSTJZSA-N 1 3 334.504 2.530 20 0 EFADHO C[C@H]1CC[NH2+][C@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000571213876 319552196 /nfs/dbraw/zinc/55/21/96/319552196.db2.gz POZRAWGGOHUAKV-LPHOPBHVSA-N 1 3 344.503 2.535 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571556024 319585624 /nfs/dbraw/zinc/58/56/24/319585624.db2.gz HXCDGQLPBWAQRW-MDZRGWNJSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571556022 319585658 /nfs/dbraw/zinc/58/56/58/319585658.db2.gz HXCDGQLPBWAQRW-GPMSIDNRSA-N 1 3 343.515 2.746 20 0 EFADHO O=C(C1CC[NH+](C2CC2)CC1)N(CCN1CCCC1)c1ccccc1 ZINC000571972857 319623060 /nfs/dbraw/zinc/62/30/60/319623060.db2.gz RPIXFTQYOSCJHV-UHFFFAOYSA-N 1 3 341.499 2.990 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1 ZINC000572364837 319662955 /nfs/dbraw/zinc/66/29/55/319662955.db2.gz YKSGQVQXVXJJGI-AWEZNQCLSA-N 1 3 327.428 2.661 20 0 EFADHO CCNCCC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572712633 319697227 /nfs/dbraw/zinc/69/72/27/319697227.db2.gz KBAOBDBVVWBUOW-HOTGVXAUSA-N 1 3 343.471 2.573 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000573073756 319730906 /nfs/dbraw/zinc/73/09/06/319730906.db2.gz DABZARRLHZNIBG-LJQANCHMSA-N 1 3 346.519 2.841 20 0 EFADHO CC[NH+]1CCC(CN[C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000574674262 319883761 /nfs/dbraw/zinc/88/37/61/319883761.db2.gz JKFCAIZDBHQRNQ-OAHLLOKOSA-N 1 3 334.460 2.621 20 0 EFADHO Cc1c([C@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000575372890 319942683 /nfs/dbraw/zinc/94/26/83/319942683.db2.gz BWDXRRRQNYTCPV-JSGCOSHPSA-N 1 3 333.867 2.879 20 0 EFADHO C[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H](N)c1ccccc1 ZINC000575921826 319966204 /nfs/dbraw/zinc/96/62/04/319966204.db2.gz TXRQDFRXIQHJLN-WBAXXEDZSA-N 1 3 329.488 2.559 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000576015116 319975739 /nfs/dbraw/zinc/97/57/39/319975739.db2.gz LUWKZWJNLXKKMM-DLBZAZTESA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000576174016 319990990 /nfs/dbraw/zinc/99/09/90/319990990.db2.gz QCWDMSPBNUVRRV-QGZVFWFLSA-N 1 3 338.540 2.657 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576290214 320002510 /nfs/dbraw/zinc/00/25/10/320002510.db2.gz BRNFGDSUKQXCAC-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576290214 320002511 /nfs/dbraw/zinc/00/25/11/320002511.db2.gz BRNFGDSUKQXCAC-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000576509232 320021916 /nfs/dbraw/zinc/02/19/16/320021916.db2.gz UUAXMOICWKCWKV-SFHVURJKSA-N 1 3 334.504 2.896 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576696569 320039608 /nfs/dbraw/zinc/03/96/08/320039608.db2.gz LIPFKPGEAFMMDA-MRXNPFEDSA-N 1 3 345.487 2.760 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@H](C)CC3)CC2)CC1 ZINC000576764687 320046810 /nfs/dbraw/zinc/04/68/10/320046810.db2.gz ASFXTHCDUJGEGN-SAABIXHNSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000576849454 320054522 /nfs/dbraw/zinc/05/45/22/320054522.db2.gz WHNMCPGSMYWWEA-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000577217723 320089457 /nfs/dbraw/zinc/08/94/57/320089457.db2.gz QPIXYMJKACWFSY-FHWLQOOXSA-N 1 3 331.504 2.876 20 0 EFADHO O[C@@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1 ZINC000577601928 320126137 /nfs/dbraw/zinc/12/61/37/320126137.db2.gz DVQMAWHGWNDRBR-FQEVSTJZSA-N 1 3 340.467 2.812 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622128 320128644 /nfs/dbraw/zinc/12/86/44/320128644.db2.gz WCQBTUYRXAQBFN-CJNGLKHVSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622128 320128645 /nfs/dbraw/zinc/12/86/45/320128645.db2.gz WCQBTUYRXAQBFN-CJNGLKHVSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622128 320128648 /nfs/dbraw/zinc/12/86/48/320128648.db2.gz WCQBTUYRXAQBFN-CJNGLKHVSA-N 1 3 342.405 2.683 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000577662144 320131786 /nfs/dbraw/zinc/13/17/86/320131786.db2.gz NRNKOCONIGIWFX-PKOBYXMFSA-N 1 3 346.471 2.545 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000577662144 320131788 /nfs/dbraw/zinc/13/17/88/320131788.db2.gz NRNKOCONIGIWFX-PKOBYXMFSA-N 1 3 346.471 2.545 20 0 EFADHO FC(F)(F)c1cnc(NCCN[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000577946701 320158649 /nfs/dbraw/zinc/15/86/49/320158649.db2.gz CQKNVMCAYOKWPX-NSHDSACASA-N 1 3 336.789 2.897 20 0 EFADHO CN(C)Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1 ZINC000577952115 320159489 /nfs/dbraw/zinc/15/94/89/320159489.db2.gz REJVLVOFLFGZFW-UHFFFAOYSA-N 1 3 344.484 2.924 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578122173 320175515 /nfs/dbraw/zinc/17/55/15/320175515.db2.gz YDEKZTVJFRDRBY-MDZRGWNJSA-N 1 3 344.503 2.652 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000578224259 320185814 /nfs/dbraw/zinc/18/58/14/320185814.db2.gz DESYSSQANIWQMP-RYUDHWBXSA-N 1 3 331.382 2.868 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000578353455 320198719 /nfs/dbraw/zinc/19/87/19/320198719.db2.gz FUTIAVQBOJABPX-MBOZVWFJSA-N 1 3 343.515 2.748 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000578435676 320206054 /nfs/dbraw/zinc/20/60/54/320206054.db2.gz MLYQASSOHHAREZ-HXUWFJFHSA-N 1 3 334.504 2.940 20 0 EFADHO Cc1cc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000185691361 323394759 /nfs/dbraw/zinc/39/47/59/323394759.db2.gz TXADBSOAPFQPJY-LSDHHAIUSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000185691361 323394763 /nfs/dbraw/zinc/39/47/63/323394763.db2.gz TXADBSOAPFQPJY-LSDHHAIUSA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)no1 ZINC000185691361 323394766 /nfs/dbraw/zinc/39/47/66/323394766.db2.gz TXADBSOAPFQPJY-LSDHHAIUSA-N 1 3 334.464 2.554 20 0 EFADHO CCN(C)C(=O)[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000296582375 323563284 /nfs/dbraw/zinc/56/32/84/323563284.db2.gz UKZFYFDVHZWSNF-LPHOPBHVSA-N 1 3 349.519 2.781 20 0 EFADHO CC(C)CN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CCN(C)CC1 ZINC000579490895 323970323 /nfs/dbraw/zinc/97/03/23/323970323.db2.gz KYDBXGKNAXQPRS-UHFFFAOYSA-N 1 3 345.531 2.983 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CCNc2ccc3ccccc3n2)CC1 ZINC000579631531 324000782 /nfs/dbraw/zinc/00/07/82/324000782.db2.gz CZVQVLIMQBXWGY-UHFFFAOYSA-N 1 3 326.488 2.921 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)CNCc1cccc(C[NH+](C)C)c1 ZINC000579703180 324015122 /nfs/dbraw/zinc/01/51/22/324015122.db2.gz DFJTUXFZVRUELO-FQEVSTJZSA-N 1 3 342.483 2.895 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580292334 324133747 /nfs/dbraw/zinc/13/37/47/324133747.db2.gz DVBUBIOUXPAHMK-APWZRJJASA-N 1 3 344.503 2.592 20 0 EFADHO c1ccc(C[C@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000580769163 324230920 /nfs/dbraw/zinc/23/09/20/324230920.db2.gz UZYFWANYDQESQA-AEFFLSMTSA-N 1 3 339.487 2.773 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000581066526 324298039 /nfs/dbraw/zinc/29/80/39/324298039.db2.gz NYFGYIAVLSDAGG-FQEVSTJZSA-N 1 3 342.483 2.895 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109119 324305495 /nfs/dbraw/zinc/30/54/95/324305495.db2.gz RZSNLXFHYVZJEQ-JKSUJKDBSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109119 324305496 /nfs/dbraw/zinc/30/54/96/324305496.db2.gz RZSNLXFHYVZJEQ-JKSUJKDBSA-N 1 3 345.487 2.723 20 0 EFADHO CN(C)Cc1ccccc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000581474885 324386533 /nfs/dbraw/zinc/38/65/33/324386533.db2.gz RDZRUWNWTDVYJP-QGZVFWFLSA-N 1 3 347.528 2.904 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000581873537 324470446 /nfs/dbraw/zinc/47/04/46/324470446.db2.gz XOEGTQBGWSAKCQ-GOEBONIOSA-N 1 3 338.521 2.511 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000582419318 324590671 /nfs/dbraw/zinc/59/06/71/324590671.db2.gz WVLFMKKQFZZCQL-VYMRPNJYSA-N 1 3 338.540 2.654 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2c1cccc2Cl)N1CC[NH2+]CC1 ZINC000583019042 324721330 /nfs/dbraw/zinc/72/13/30/324721330.db2.gz YYVGYCJBBOJJQP-LSDHHAIUSA-N 1 3 347.812 2.753 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000583317215 324785648 /nfs/dbraw/zinc/78/56/48/324785648.db2.gz ZXXXGXJEZSTTGO-FQEVSTJZSA-N 1 3 339.483 2.537 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000137468689 473206003 /nfs/dbraw/zinc/20/60/03/473206003.db2.gz AGTSPIUVYWAYLO-XLIONFOSSA-N 1 3 343.515 2.886 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000155657085 472589795 /nfs/dbraw/zinc/58/97/95/472589795.db2.gz JYNDQJDZDSPSCN-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000137478705 473207824 /nfs/dbraw/zinc/20/78/24/473207824.db2.gz RDLBXYKQCDYLQB-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000137478705 473207828 /nfs/dbraw/zinc/20/78/28/473207828.db2.gz RDLBXYKQCDYLQB-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CC1CCN(CC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000137570713 473208843 /nfs/dbraw/zinc/20/88/43/473208843.db2.gz VQEPCDCLXXMGMZ-HXUWFJFHSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137570713 473208849 /nfs/dbraw/zinc/20/88/49/473208849.db2.gz VQEPCDCLXXMGMZ-HXUWFJFHSA-N 1 3 343.515 2.699 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)Cn3cccn3)CC2)cc1 ZINC000138263721 473217458 /nfs/dbraw/zinc/21/74/58/473217458.db2.gz AMZTZDHJKOKWPP-KRWDZBQOSA-N 1 3 342.487 2.782 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2[nH]ccc21 ZINC000081626549 473233688 /nfs/dbraw/zinc/23/36/88/473233688.db2.gz LZADURRHYKZBDU-INIZCTEOSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2[nH]ccc21 ZINC000081626549 473233694 /nfs/dbraw/zinc/23/36/94/473233694.db2.gz LZADURRHYKZBDU-INIZCTEOSA-N 1 3 342.487 2.656 20 0 EFADHO c1ccc(CCN2CCC([NH2+]C[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000124389929 473240581 /nfs/dbraw/zinc/24/05/81/473240581.db2.gz AKOUIZUCFXZKML-IBGZPJMESA-N 1 3 327.516 2.767 20 0 EFADHO c1ccc(CCN2CCC([NH2+]C[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000124390083 473240835 /nfs/dbraw/zinc/24/08/35/473240835.db2.gz AKOUIZUCFXZKML-LJQANCHMSA-N 1 3 327.516 2.767 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000081671647 473241217 /nfs/dbraw/zinc/24/12/17/473241217.db2.gz HIPAAEQCPGQFBX-UHFFFAOYSA-N 1 3 336.455 2.543 20 0 EFADHO CC[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000124530321 473257389 /nfs/dbraw/zinc/25/73/89/473257389.db2.gz BGCNXENODIJKFJ-HZPDHXFCSA-N 1 3 337.533 2.978 20 0 EFADHO c1c[nH]c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000176984548 473280723 /nfs/dbraw/zinc/28/07/23/473280723.db2.gz DGXTWANLMJDKCW-UHFFFAOYSA-N 1 3 328.460 2.571 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742457 473306370 /nfs/dbraw/zinc/30/63/70/473306370.db2.gz ITJSEQOZLHWUTM-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112742457 473306374 /nfs/dbraw/zinc/30/63/74/473306374.db2.gz ITJSEQOZLHWUTM-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000191091868 473476242 /nfs/dbraw/zinc/47/62/42/473476242.db2.gz MWYNADZEPUWUOE-DLBZAZTESA-N 1 3 344.565 2.834 20 0 EFADHO CN(CCOc1ccccc1Cl)CCN(C)C1CC[NH+](C)CC1 ZINC000177383713 473368815 /nfs/dbraw/zinc/36/88/15/473368815.db2.gz YADIEMAJPHEFBX-UHFFFAOYSA-N 1 3 339.911 2.677 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000150946717 473384873 /nfs/dbraw/zinc/38/48/73/473384873.db2.gz RJXMOFWCNMSDNS-KRWDZBQOSA-N 1 3 337.508 2.978 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000150975953 473390426 /nfs/dbraw/zinc/39/04/26/473390426.db2.gz GVZMTNQHSLWNCR-OAHLLOKOSA-N 1 3 336.549 2.699 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000162859318 473391715 /nfs/dbraw/zinc/39/17/15/473391715.db2.gz UEOLFQFBEHVCKY-HDICACEKSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC(C)(C)C ZINC000625325407 479867278 /nfs/dbraw/zinc/86/72/78/479867278.db2.gz IHRICERWCBVGJY-IRXDYDNUSA-N 1 3 345.531 2.895 20 0 EFADHO CN(c1ccccc1CN1C[C@@H]2CCC[C@]2([NH3+])C1)C1CCN(C)CC1 ZINC000622003529 479878001 /nfs/dbraw/zinc/87/80/01/479878001.db2.gz AXLSGTGOCOUCSB-RXVVDRJESA-N 1 3 342.531 2.530 20 0 EFADHO C[N@@H+]1CC[C@@H](NCCC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000340188855 475840204 /nfs/dbraw/zinc/84/02/04/475840204.db2.gz QLOLYLDCOKBHBO-MOPGFXCFSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+]1CC[C@@H](NCCC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000340188855 475840209 /nfs/dbraw/zinc/84/02/09/475840209.db2.gz QLOLYLDCOKBHBO-MOPGFXCFSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@@H+]1CC[C@H](NCCC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000340188856 475840632 /nfs/dbraw/zinc/84/06/32/475840632.db2.gz QLOLYLDCOKBHBO-OALUTQOASA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+]1CC[C@H](NCCC(=O)N2CCCCC2)C[C@H]1c1ccccc1 ZINC000340188856 475840639 /nfs/dbraw/zinc/84/06/39/475840639.db2.gz QLOLYLDCOKBHBO-OALUTQOASA-N 1 3 329.488 2.814 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000355414957 475916811 /nfs/dbraw/zinc/91/68/11/475916811.db2.gz SNHLGVNEACKYTH-HZPDHXFCSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000388783075 476780424 /nfs/dbraw/zinc/78/04/24/476780424.db2.gz HGVKJHGYMFJHLI-MRVWCRGKSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000388783075 476780429 /nfs/dbraw/zinc/78/04/29/476780429.db2.gz HGVKJHGYMFJHLI-MRVWCRGKSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422799541 476781401 /nfs/dbraw/zinc/78/14/01/476781401.db2.gz XFIZOGNCYRQCEG-BNEJOLLZSA-N 1 3 338.879 2.854 20 0 EFADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422836217 476800528 /nfs/dbraw/zinc/80/05/28/476800528.db2.gz JPUPQOPLUXWNKB-JCHJZTRSSA-N 1 3 349.906 2.665 20 0 EFADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422836215 476801654 /nfs/dbraw/zinc/80/16/54/476801654.db2.gz JPUPQOPLUXWNKB-DSLXNQLJSA-N 1 3 349.906 2.665 20 0 EFADHO CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416827461 477325853 /nfs/dbraw/zinc/32/58/53/477325853.db2.gz CRQHXPFHCDHSTD-HUUCEWRRSA-N 1 3 338.521 2.558 20 0 EFADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424336402 477375405 /nfs/dbraw/zinc/37/54/05/477375405.db2.gz QNEYAKYGPKRZGO-HUUCEWRRSA-N 1 3 344.286 2.811 20 0 EFADHO C[C@@H]1C[C@H](C)N(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C[NH3+] ZINC000424079737 477285692 /nfs/dbraw/zinc/28/56/92/477285692.db2.gz UOXITYAZIIBTJT-JTDSTZFVSA-N 1 3 329.488 2.728 20 0 EFADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC000451529272 478067941 /nfs/dbraw/zinc/06/79/41/478067941.db2.gz NCWVMHRRBWLNKQ-HXUWFJFHSA-N 1 3 333.520 2.753 20 0 EFADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC000451529272 478067950 /nfs/dbraw/zinc/06/79/50/478067950.db2.gz NCWVMHRRBWLNKQ-HXUWFJFHSA-N 1 3 333.520 2.753 20 0 EFADHO COCCc1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000631106619 479897320 /nfs/dbraw/zinc/89/73/20/479897320.db2.gz WXASXBOJBQAWNH-UHFFFAOYSA-N 1 3 346.500 2.733 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425585 479897756 /nfs/dbraw/zinc/89/77/56/479897756.db2.gz PRHWOVZRFBBYHZ-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](CNC[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425585 479897761 /nfs/dbraw/zinc/89/77/61/479897761.db2.gz PRHWOVZRFBBYHZ-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](CNC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425585 479897764 /nfs/dbraw/zinc/89/77/64/479897764.db2.gz PRHWOVZRFBBYHZ-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO Cc1ccc2sc(CN(C)CCCN(C)CC[NH+](C)C)nc2c1 ZINC000625431706 479919669 /nfs/dbraw/zinc/91/96/69/479919669.db2.gz JLZJQOVFNUBVFK-UHFFFAOYSA-N 1 3 334.533 2.920 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000631195651 479952206 /nfs/dbraw/zinc/95/22/06/479952206.db2.gz IULDCYKNZHPTOI-OXJNMPFZSA-N 1 3 337.467 2.643 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000631195649 479953430 /nfs/dbraw/zinc/95/34/30/479953430.db2.gz IULDCYKNZHPTOI-JXFKEZNVSA-N 1 3 337.467 2.643 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016439121 471937450 /nfs/dbraw/zinc/93/74/50/471937450.db2.gz BYPIKXVIRBQQEZ-UHFFFAOYSA-N 1 3 347.547 2.735 20 0 EFADHO COC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000631197306 479953927 /nfs/dbraw/zinc/95/39/27/479953927.db2.gz YSJRQBISFYRTSB-IEBWSBKVSA-N 1 3 332.488 2.540 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000067704520 472074213 /nfs/dbraw/zinc/07/42/13/472074213.db2.gz CPCWRDNCNUIAMP-LJQANCHMSA-N 1 3 344.503 2.524 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054762193 472112626 /nfs/dbraw/zinc/11/26/26/472112626.db2.gz UPRIYFILMDTHPN-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000075604607 472165773 /nfs/dbraw/zinc/16/57/73/472165773.db2.gz RROOSLIZWULGRJ-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000075604607 472165777 /nfs/dbraw/zinc/16/57/77/472165777.db2.gz RROOSLIZWULGRJ-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCC(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000075604611 472166088 /nfs/dbraw/zinc/16/60/88/472166088.db2.gz RROOSLIZWULGRJ-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000075604611 472166093 /nfs/dbraw/zinc/16/60/93/472166093.db2.gz RROOSLIZWULGRJ-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000075860624 472210272 /nfs/dbraw/zinc/21/02/72/472210272.db2.gz FKVUPZCJADLGAB-QGZVFWFLSA-N 1 3 346.475 2.531 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000075860624 472210276 /nfs/dbraw/zinc/21/02/76/472210276.db2.gz FKVUPZCJADLGAB-QGZVFWFLSA-N 1 3 346.475 2.531 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000068598283 472217336 /nfs/dbraw/zinc/21/73/36/472217336.db2.gz MRRBSGBFJYYZGM-HUUCEWRRSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000075935749 472223401 /nfs/dbraw/zinc/22/34/01/472223401.db2.gz LMVANNWIGARSIW-UEXGIBASSA-N 1 3 346.515 2.715 20 0 EFADHO C[C@@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000085358557 472238504 /nfs/dbraw/zinc/23/85/04/472238504.db2.gz OGKQHYZNWLORSO-OAHLLOKOSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000076076244 472263093 /nfs/dbraw/zinc/26/30/93/472263093.db2.gz XFTLHIXNXAYDHX-MJGOQNOKSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110086 472274548 /nfs/dbraw/zinc/27/45/48/472274548.db2.gz WXJYQZCLSITJFO-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110086 472274553 /nfs/dbraw/zinc/27/45/53/472274553.db2.gz WXJYQZCLSITJFO-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cc(C)n(CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000076110275 472275254 /nfs/dbraw/zinc/27/52/54/472275254.db2.gz QTHYFEDYCQEESS-FQEVSTJZSA-N 1 3 326.488 2.954 20 0 EFADHO Cc1cc(C)n(CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000076110275 472275261 /nfs/dbraw/zinc/27/52/61/472275261.db2.gz QTHYFEDYCQEESS-FQEVSTJZSA-N 1 3 326.488 2.954 20 0 EFADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000076117776 472277726 /nfs/dbraw/zinc/27/77/26/472277726.db2.gz JMMXBMORHKGZOJ-SFHVURJKSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000076117776 472277734 /nfs/dbraw/zinc/27/77/34/472277734.db2.gz JMMXBMORHKGZOJ-SFHVURJKSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523272 472331987 /nfs/dbraw/zinc/33/19/87/472331987.db2.gz PZDPEHLSTJNHLH-GOSISDBHSA-N 1 3 345.531 2.706 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076428123 472346596 /nfs/dbraw/zinc/34/65/96/472346596.db2.gz PISXRPPUICRVJM-HDICACEKSA-N 1 3 343.515 2.877 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000044913444 472352673 /nfs/dbraw/zinc/35/26/73/472352673.db2.gz YEKNSYJPTHRSPJ-UHFFFAOYSA-N 1 3 347.478 2.640 20 0 EFADHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171444 472390203 /nfs/dbraw/zinc/39/02/03/472390203.db2.gz HFNYHMFSZWJGEP-IBGZPJMESA-N 1 3 329.488 2.501 20 0 EFADHO O=C(NCCN1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057171444 472390209 /nfs/dbraw/zinc/39/02/09/472390209.db2.gz HFNYHMFSZWJGEP-IBGZPJMESA-N 1 3 329.488 2.501 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000154234963 472404538 /nfs/dbraw/zinc/40/45/38/472404538.db2.gz PXDDCQXUDLGNHI-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC000154234963 472404544 /nfs/dbraw/zinc/40/45/44/472404544.db2.gz PXDDCQXUDLGNHI-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116440586 472409493 /nfs/dbraw/zinc/40/94/93/472409493.db2.gz KSIIUTAEAMFFRF-QZTJIDSGSA-N 1 3 348.535 2.955 20 0 EFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(Cl)cc2)cc1 ZINC000076894046 472421171 /nfs/dbraw/zinc/42/11/71/472421171.db2.gz KOOACDFYFVJFIJ-UHFFFAOYSA-N 1 3 345.874 2.921 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cnc2ccsc2c1 ZINC000154415112 472431006 /nfs/dbraw/zinc/43/10/06/472431006.db2.gz JJFTVDCLCSRSCA-OAHLLOKOSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000154436860 472433446 /nfs/dbraw/zinc/43/34/46/472433446.db2.gz DVFGPDQHZWMSQP-QGZVFWFLSA-N 1 3 347.503 2.526 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000154436758 472434049 /nfs/dbraw/zinc/43/40/49/472434049.db2.gz DVFGPDQHZWMSQP-KRWDZBQOSA-N 1 3 347.503 2.526 20 0 EFADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000089614846 472469194 /nfs/dbraw/zinc/46/91/94/472469194.db2.gz WPBFRNKUBSLZFH-OAHLLOKOSA-N 1 3 325.497 2.802 20 0 EFADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000089614846 472469202 /nfs/dbraw/zinc/46/92/02/472469202.db2.gz WPBFRNKUBSLZFH-OAHLLOKOSA-N 1 3 325.497 2.802 20 0 EFADHO CC(C)[N@H+](C)CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633772748 479990959 /nfs/dbraw/zinc/99/09/59/479990959.db2.gz CXMDWRJNRVSBPJ-HNNXBMFYSA-N 1 3 345.409 2.765 20 0 EFADHO CC(C)[N@@H+](C)CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633772748 479990965 /nfs/dbraw/zinc/99/09/65/479990965.db2.gz CXMDWRJNRVSBPJ-HNNXBMFYSA-N 1 3 345.409 2.765 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000097361362 472492334 /nfs/dbraw/zinc/49/23/34/472492334.db2.gz JMJZVGDVYWBSFF-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000097361362 472492337 /nfs/dbraw/zinc/49/23/37/472492337.db2.gz JMJZVGDVYWBSFF-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO CC1CCN(CCNC(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000097361297 472492672 /nfs/dbraw/zinc/49/26/72/472492672.db2.gz ZVZRIIMSNKTPDG-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CC1CCN(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000097361297 472492681 /nfs/dbraw/zinc/49/26/81/472492681.db2.gz ZVZRIIMSNKTPDG-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CN1CCC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000128774916 472495690 /nfs/dbraw/zinc/49/56/90/472495690.db2.gz LGEAQEQXMXZREO-LBPRGKRZSA-N 1 3 339.277 2.815 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098030237 472513502 /nfs/dbraw/zinc/51/35/02/472513502.db2.gz BGKCCRDHKBPFQK-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098030237 472513508 /nfs/dbraw/zinc/51/35/08/472513508.db2.gz BGKCCRDHKBPFQK-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000098030179 472513529 /nfs/dbraw/zinc/51/35/29/472513529.db2.gz KVTNKCQTECITFI-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000098030179 472513536 /nfs/dbraw/zinc/51/35/36/472513536.db2.gz KVTNKCQTECITFI-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129044327 472518438 /nfs/dbraw/zinc/51/84/38/472518438.db2.gz BGDFWDSLLUIAPY-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000129044327 472518441 /nfs/dbraw/zinc/51/84/41/472518441.db2.gz BGDFWDSLLUIAPY-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NCC1(C[NH+](C)C)CCCC1 ZINC000129476913 472546957 /nfs/dbraw/zinc/54/69/57/472546957.db2.gz HQFCPSLDGCDHQX-ZDUSSCGKSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000101651890 472547170 /nfs/dbraw/zinc/54/71/70/472547170.db2.gz LSSKLXNKYHTZQM-OXQOHEQNSA-N 1 3 331.504 2.989 20 0 EFADHO CN(c1ccccc1CN1CCC[C@](C)(O)C1)C1CC[NH+](C)CC1 ZINC000129511097 472549401 /nfs/dbraw/zinc/54/94/01/472549401.db2.gz YWLWXHAVJGQSKV-FQEVSTJZSA-N 1 3 331.504 2.564 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1C(C)(C)C ZINC000119716907 472577025 /nfs/dbraw/zinc/57/70/25/472577025.db2.gz RKPLQBZUJRJLQN-UHFFFAOYSA-N 1 3 334.508 2.941 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000155626377 472583283 /nfs/dbraw/zinc/58/32/83/472583283.db2.gz IJNUBUYTZDKDHR-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000155626377 472583290 /nfs/dbraw/zinc/58/32/90/472583290.db2.gz IJNUBUYTZDKDHR-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000155625506 472584083 /nfs/dbraw/zinc/58/40/83/472584083.db2.gz OFWMYRYMJSYOCF-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO O=C(NCC[NH+]1CCCC1)c1ccc(CNCc2ccsc2)cc1 ZINC000130195922 472589536 /nfs/dbraw/zinc/58/95/36/472589536.db2.gz RZBDCQQGZDNRDB-UHFFFAOYSA-N 1 3 343.496 2.864 20 0 EFADHO CCN(C)CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000102806906 472594058 /nfs/dbraw/zinc/59/40/58/472594058.db2.gz CBPFBRJJMPFMEL-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000155704054 472598284 /nfs/dbraw/zinc/59/82/84/472598284.db2.gz VDIGGOOXKBXXCY-HOTGVXAUSA-N 1 3 336.499 2.568 20 0 EFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000090147374 472602818 /nfs/dbraw/zinc/60/28/18/472602818.db2.gz QRZUVSRNYCFUSY-KRWDZBQOSA-N 1 3 344.503 2.679 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000077756070 472603508 /nfs/dbraw/zinc/60/35/08/472603508.db2.gz WDQFJZWYHPRAQC-HNNXBMFYSA-N 1 3 346.475 2.629 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000071997659 472626807 /nfs/dbraw/zinc/62/68/07/472626807.db2.gz KDVSDWRCLLNNHZ-IBGZPJMESA-N 1 3 334.504 2.707 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120119468 472634559 /nfs/dbraw/zinc/63/45/59/472634559.db2.gz LTCXUYDFAGASIQ-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1c(F)cccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120228151 472652362 /nfs/dbraw/zinc/65/23/62/472652362.db2.gz DSEQHCDADSELOK-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000090854102 472661768 /nfs/dbraw/zinc/66/17/68/472661768.db2.gz IXXOIFNPAPUZHA-FQEVSTJZSA-N 1 3 330.520 2.756 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000090854102 472661772 /nfs/dbraw/zinc/66/17/72/472661772.db2.gz IXXOIFNPAPUZHA-FQEVSTJZSA-N 1 3 330.520 2.756 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCO[C@H]2C)cc1OC ZINC000120307014 472666230 /nfs/dbraw/zinc/66/62/30/472666230.db2.gz UZXOLRGRRSFCBV-DOTOQJQBSA-N 1 3 336.476 2.683 20 0 EFADHO CC[C@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000131551544 472677549 /nfs/dbraw/zinc/67/75/49/472677549.db2.gz QSIXRRILVNIYQG-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000131551329 472677773 /nfs/dbraw/zinc/67/77/73/472677773.db2.gz QSIXRRILVNIYQG-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCN1CCCC1 ZINC000120385041 472680063 /nfs/dbraw/zinc/68/00/63/472680063.db2.gz HBFMVJDKEKDFIV-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCN1CCCC1 ZINC000120385041 472680069 /nfs/dbraw/zinc/68/00/69/472680069.db2.gz HBFMVJDKEKDFIV-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000105083430 472719617 /nfs/dbraw/zinc/71/96/17/472719617.db2.gz AZIXIDQQZZBNQR-RTBURBONSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[NH+]1CCCC1 ZINC000072816836 472720431 /nfs/dbraw/zinc/72/04/31/472720431.db2.gz SDZPTLGVXHWTNX-UHFFFAOYSA-N 1 3 329.444 2.710 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000061955930 472724250 /nfs/dbraw/zinc/72/42/50/472724250.db2.gz RQECSZGYEPMABL-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000061955930 472724256 /nfs/dbraw/zinc/72/42/56/472724256.db2.gz RQECSZGYEPMABL-DLBZAZTESA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCC1 ZINC000105141304 472728167 /nfs/dbraw/zinc/72/81/67/472728167.db2.gz DDJJULKXJZFVQD-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000105178990 472730781 /nfs/dbraw/zinc/73/07/81/472730781.db2.gz SWNOMAOATVEFLF-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN(C)Cc2ccccc2)C1 ZINC000105178990 472730788 /nfs/dbraw/zinc/73/07/88/472730788.db2.gz SWNOMAOATVEFLF-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000120718116 472735258 /nfs/dbraw/zinc/73/52/58/472735258.db2.gz FLPITJQKPUVQAY-KFZJALRRSA-N 1 3 325.447 2.886 20 0 EFADHO CC(C)[C@@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000156962601 472771098 /nfs/dbraw/zinc/77/10/98/472771098.db2.gz SPAQYKMPHMHASB-VQTJNVASSA-N 1 3 343.515 2.908 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804630 472771939 /nfs/dbraw/zinc/77/19/39/472771939.db2.gz FVINDBDZCACUFR-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804630 472771947 /nfs/dbraw/zinc/77/19/47/472771947.db2.gz FVINDBDZCACUFR-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO C[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000091723101 472798050 /nfs/dbraw/zinc/79/80/50/472798050.db2.gz ZPOXCMDLMOMNNO-LSDHHAIUSA-N 1 3 337.533 2.909 20 0 EFADHO C[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000091723101 472798057 /nfs/dbraw/zinc/79/80/57/472798057.db2.gz ZPOXCMDLMOMNNO-LSDHHAIUSA-N 1 3 337.533 2.909 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000063756115 472811287 /nfs/dbraw/zinc/81/12/87/472811287.db2.gz ZVWRSYMXJFNQCQ-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000063756115 472811292 /nfs/dbraw/zinc/81/12/92/472811292.db2.gz ZVWRSYMXJFNQCQ-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000121175403 472811601 /nfs/dbraw/zinc/81/16/01/472811601.db2.gz VMHIHNGUVQGWQU-HUUCEWRRSA-N 1 3 325.447 2.889 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157354398 472811539 /nfs/dbraw/zinc/81/15/39/472811539.db2.gz HAVHTPXRNXAZED-KBPBESRZSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157354398 472811545 /nfs/dbraw/zinc/81/15/45/472811545.db2.gz HAVHTPXRNXAZED-KBPBESRZSA-N 1 3 343.313 2.888 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000133588202 472820238 /nfs/dbraw/zinc/82/02/38/472820238.db2.gz FKEITQSATBKARX-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc(C)c1F ZINC000121315473 472835249 /nfs/dbraw/zinc/83/52/49/472835249.db2.gz XPGZXJFNGRQXRT-UHFFFAOYSA-N 1 3 347.478 2.731 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)c1 ZINC000073604932 472838887 /nfs/dbraw/zinc/83/88/87/472838887.db2.gz IFDIUYGLJBZZIV-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)c1 ZINC000073604932 472838895 /nfs/dbraw/zinc/83/88/95/472838895.db2.gz IFDIUYGLJBZZIV-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000106458700 472853937 /nfs/dbraw/zinc/85/39/37/472853937.db2.gz DIONLYYQVBQQQV-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106521467 472857964 /nfs/dbraw/zinc/85/79/64/472857964.db2.gz XPZJZVBVRLXZKM-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106521467 472857970 /nfs/dbraw/zinc/85/79/70/472857970.db2.gz XPZJZVBVRLXZKM-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516264 472858333 /nfs/dbraw/zinc/85/83/33/472858333.db2.gz TYDMZSFUPNYUOJ-HKUYNNGSSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516264 472858337 /nfs/dbraw/zinc/85/83/37/472858337.db2.gz TYDMZSFUPNYUOJ-HKUYNNGSSA-N 1 3 344.503 2.605 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000079492137 472874249 /nfs/dbraw/zinc/87/42/49/472874249.db2.gz KNSGBKYQAOTTHB-KRWDZBQOSA-N 1 3 340.895 2.743 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000158074851 472889546 /nfs/dbraw/zinc/88/95/46/472889546.db2.gz GPWLMZFGDHPCSQ-JSGCOSHPSA-N 1 3 339.867 2.750 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000158074851 472889551 /nfs/dbraw/zinc/88/95/51/472889551.db2.gz GPWLMZFGDHPCSQ-JSGCOSHPSA-N 1 3 339.867 2.750 20 0 EFADHO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc(OCCN(C)C)c1 ZINC000158253155 472914644 /nfs/dbraw/zinc/91/46/44/472914644.db2.gz MIOUYLWWQWTUAF-MRXNPFEDSA-N 1 3 330.476 2.644 20 0 EFADHO CCOC(=O)N1CCC(NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000079773844 472920565 /nfs/dbraw/zinc/92/05/65/472920565.db2.gz NHNAWNREDNXTOL-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO CCOC(=O)N1CCC(NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000079773844 472920569 /nfs/dbraw/zinc/92/05/69/472920569.db2.gz NHNAWNREDNXTOL-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO CCOC(=O)N1CCC([NH2+]CCCN(C)C2CCCCC2)CC1 ZINC000079773844 472920576 /nfs/dbraw/zinc/92/05/76/472920576.db2.gz NHNAWNREDNXTOL-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C(F)(F)F ZINC000079785363 472923508 /nfs/dbraw/zinc/92/35/08/472923508.db2.gz QIZGUTSZEXCLQE-SNVBAGLBSA-N 1 3 331.338 2.714 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000065476871 472951362 /nfs/dbraw/zinc/95/13/62/472951362.db2.gz RZVSPMZJBWYGQK-GOSISDBHSA-N 1 3 334.508 2.629 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065517804 472963226 /nfs/dbraw/zinc/96/32/26/472963226.db2.gz JNJGOEJRWSWYLZ-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C)CC1 ZINC000074220865 472966188 /nfs/dbraw/zinc/96/61/88/472966188.db2.gz CDNXGDMGRYLMRY-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C)CC1 ZINC000074220865 472966193 /nfs/dbraw/zinc/96/61/93/472966193.db2.gz CDNXGDMGRYLMRY-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000074252994 472971573 /nfs/dbraw/zinc/97/15/73/472971573.db2.gz VIACJMPWDYZIMZ-AWEZNQCLSA-N 1 3 329.444 2.661 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080109478 472977826 /nfs/dbraw/zinc/97/78/26/472977826.db2.gz HBAKWYCVMOIRLH-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000080109478 472977832 /nfs/dbraw/zinc/97/78/32/472977832.db2.gz HBAKWYCVMOIRLH-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000122167506 472983159 /nfs/dbraw/zinc/98/31/59/472983159.db2.gz XLQYBDAPTBRCGP-OAGGEKHMSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000122167506 472983166 /nfs/dbraw/zinc/98/31/66/472983166.db2.gz XLQYBDAPTBRCGP-OAGGEKHMSA-N 1 3 325.497 2.754 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158953800 472983644 /nfs/dbraw/zinc/98/36/44/472983644.db2.gz NUUAGWZUYRBVRG-ZIFCJYIRSA-N 1 3 334.504 2.870 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074319599 472985979 /nfs/dbraw/zinc/98/59/79/472985979.db2.gz SMQDEFFEPWQPNT-GOSISDBHSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000074319599 472985988 /nfs/dbraw/zinc/98/59/88/472985988.db2.gz SMQDEFFEPWQPNT-GOSISDBHSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000159005211 472989064 /nfs/dbraw/zinc/98/90/64/472989064.db2.gz ODQKLOHXNYZEBB-LJQANCHMSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325666 472989320 /nfs/dbraw/zinc/98/93/20/472989320.db2.gz DIHCOOWTEUSVCP-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325666 472989328 /nfs/dbraw/zinc/98/93/28/472989328.db2.gz DIHCOOWTEUSVCP-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159027485 472992767 /nfs/dbraw/zinc/99/27/67/472992767.db2.gz NOOUQBOGRIXZBQ-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000608475192 480022693 /nfs/dbraw/zinc/02/26/93/480022693.db2.gz OJXIVPBFMJECSP-AJYBTWMASA-N 1 3 343.515 2.981 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000608475192 480022696 /nfs/dbraw/zinc/02/26/96/480022696.db2.gz OJXIVPBFMJECSP-AJYBTWMASA-N 1 3 343.515 2.981 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccccc3Cl)CC2)CC1 ZINC000050802271 473011660 /nfs/dbraw/zinc/01/16/60/473011660.db2.gz AFVUKCJLNGNGIL-UHFFFAOYSA-N 1 3 335.879 2.628 20 0 EFADHO CSc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050802892 473011828 /nfs/dbraw/zinc/01/18/28/473011828.db2.gz CTLOIEBELVTGQK-UHFFFAOYSA-N 1 3 347.528 2.697 20 0 EFADHO CC1CC[NH+](CCCNC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000159356562 473022168 /nfs/dbraw/zinc/02/21/68/473022168.db2.gz DFDQRLORUGJNRB-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC(C)C)CC1 ZINC000065961405 473032993 /nfs/dbraw/zinc/03/29/93/473032993.db2.gz GJNPVLSFUVBVAA-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)CC(C)C)CC1 ZINC000065961326 473033135 /nfs/dbraw/zinc/03/31/35/473033135.db2.gz KDHSZKMCPGHMQV-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)CC(C)C)CC1 ZINC000065961326 473033141 /nfs/dbraw/zinc/03/31/41/473033141.db2.gz KDHSZKMCPGHMQV-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000051236034 473034252 /nfs/dbraw/zinc/03/42/52/473034252.db2.gz ZVLZDFGIKKPOHT-UHFFFAOYSA-N 1 3 334.439 2.506 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000066155977 473049943 /nfs/dbraw/zinc/04/99/43/473049943.db2.gz DRXNVGIKGMUJDA-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1)C1CC1 ZINC000108784543 473053813 /nfs/dbraw/zinc/05/38/13/473053813.db2.gz RLYUHZNLQQOTEV-QGZVFWFLSA-N 1 3 341.499 2.885 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1)C1CC1 ZINC000108784543 473053817 /nfs/dbraw/zinc/05/38/17/473053817.db2.gz RLYUHZNLQQOTEV-QGZVFWFLSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066179006 473053861 /nfs/dbraw/zinc/05/38/61/473053861.db2.gz LZFRNJOCZCOEGJ-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066179006 473053865 /nfs/dbraw/zinc/05/38/65/473053865.db2.gz LZFRNJOCZCOEGJ-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122747902 473054687 /nfs/dbraw/zinc/05/46/87/473054687.db2.gz YRVRCDFVADELOR-HOTGVXAUSA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000066190512 473055928 /nfs/dbraw/zinc/05/59/28/473055928.db2.gz LTAIKBAAHGUHQV-WMZOPIPTSA-N 1 3 334.508 2.627 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000066190512 473055932 /nfs/dbraw/zinc/05/59/32/473055932.db2.gz LTAIKBAAHGUHQV-WMZOPIPTSA-N 1 3 334.508 2.627 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000066203249 473058865 /nfs/dbraw/zinc/05/88/65/473058865.db2.gz ZELIEHIMLKGOPM-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000066203249 473058872 /nfs/dbraw/zinc/05/88/72/473058872.db2.gz ZELIEHIMLKGOPM-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NCCN1CCC[C@@H](C)C1)C(C)C ZINC000074851312 473079679 /nfs/dbraw/zinc/07/96/79/473079679.db2.gz PMBXYYLNOFERGK-QGZVFWFLSA-N 1 3 326.529 2.526 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NCCC[NH+](C)C)c2ccccc2)CC1 ZINC000052497324 473113208 /nfs/dbraw/zinc/11/32/08/473113208.db2.gz QLEZISMJUASMGV-IBGZPJMESA-N 1 3 346.519 2.711 20 0 EFADHO CCCN1CCC([N@H+](C)CCOc2cccc(C(=O)OC)c2)CC1 ZINC000109788878 473123091 /nfs/dbraw/zinc/12/30/91/473123091.db2.gz ZKCXPRLHINDDEG-UHFFFAOYSA-N 1 3 334.460 2.658 20 0 EFADHO CCCN1CCC([N@@H+](C)CCOc2cccc(C(=O)OC)c2)CC1 ZINC000109788878 473123095 /nfs/dbraw/zinc/12/30/95/473123095.db2.gz ZKCXPRLHINDDEG-UHFFFAOYSA-N 1 3 334.460 2.658 20 0 EFADHO CCc1nn(C)c(CC)c1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735226 473137254 /nfs/dbraw/zinc/13/72/54/473137254.db2.gz BHSNJUBVMXBZJI-UHFFFAOYSA-N 1 3 348.535 2.622 20 0 EFADHO C[C@H](C1CC1)N(C(=O)CN1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000123434822 473141396 /nfs/dbraw/zinc/14/13/96/473141396.db2.gz KCNRHVAARPHRAM-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1N(C)C ZINC000093945480 473165398 /nfs/dbraw/zinc/16/53/98/473165398.db2.gz YECYJVWBKIRNTC-SJORKVTESA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H]([NH3+])C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000110650315 473169341 /nfs/dbraw/zinc/16/93/41/473169341.db2.gz DGHICGHBGCHCPV-LBPRGKRZSA-N 1 3 327.266 2.887 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000095420060 473201721 /nfs/dbraw/zinc/20/17/21/473201721.db2.gz XWRAOBMMCZWTNA-IBGZPJMESA-N 1 3 333.545 2.633 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(c3ccccn3)CC2)C[C@@H](C)O1 ZINC000162859535 473392060 /nfs/dbraw/zinc/39/20/60/473392060.db2.gz UEOLFQFBEHVCKY-QZTJIDSGSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992085 473392730 /nfs/dbraw/zinc/39/27/30/473392730.db2.gz RIKOMAHHFLPZTE-AWEZNQCLSA-N 1 3 341.446 2.965 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000177512550 473392988 /nfs/dbraw/zinc/39/29/88/473392988.db2.gz MPFQQCMRUQPCHI-QZTJIDSGSA-N 1 3 331.504 2.835 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCSC3)CC2)c1 ZINC000125324830 473394624 /nfs/dbraw/zinc/39/46/24/473394624.db2.gz RORQWXKMXVTTFE-GOSISDBHSA-N 1 3 333.545 2.992 20 0 EFADHO CCOC[C@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125332905 473395167 /nfs/dbraw/zinc/39/51/67/473395167.db2.gz FIVVMTCLOYBGDF-IBGZPJMESA-N 1 3 333.520 2.912 20 0 EFADHO Cc1ccc(C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C2CC2)cc1 ZINC000151005334 473395396 /nfs/dbraw/zinc/39/53/96/473395396.db2.gz AFKXNIAXTDYPTM-OAQYLSRUSA-N 1 3 329.532 2.932 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000113580919 473405245 /nfs/dbraw/zinc/40/52/45/473405245.db2.gz XOCJSSVTUGZXEL-INIZCTEOSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)N(C)C1CC1)c1ccccc1 ZINC000113616303 473410839 /nfs/dbraw/zinc/41/08/39/473410839.db2.gz VNBWVDCESUBJAY-JKSUJKDBSA-N 1 3 346.519 2.898 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)N(C)C1CC1 ZINC000113616300 473411021 /nfs/dbraw/zinc/41/10/21/473411021.db2.gz VNBWVDCESUBJAY-CVEARBPZSA-N 1 3 346.519 2.898 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000185389941 473413071 /nfs/dbraw/zinc/41/30/71/473413071.db2.gz CHIYPLGXXRVSLD-INIZCTEOSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)N(C)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000190893799 473421218 /nfs/dbraw/zinc/42/12/18/473421218.db2.gz QYOJRVWCXQIUOK-ROUUACIJSA-N 1 3 348.535 2.905 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nccn2-c2ccccc2)C[C@H](C)O1 ZINC000190893493 473421555 /nfs/dbraw/zinc/42/15/55/473421555.db2.gz GAEVRAVTMSWDHT-HDICACEKSA-N 1 3 342.487 2.851 20 0 EFADHO [NH3+][C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000163271279 473428167 /nfs/dbraw/zinc/42/81/67/473428167.db2.gz ASLOIPWRZKCUHZ-HXUWFJFHSA-N 1 3 337.467 2.811 20 0 EFADHO C[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)CN1CCCCC1 ZINC000125606671 473433085 /nfs/dbraw/zinc/43/30/85/473433085.db2.gz ZFYXBQMCFYSTCH-ZIAGYGMSSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@H](CN[C@H](C)Cn1cc(Br)cn1)C[NH+]1CCCCC1 ZINC000125606671 473433091 /nfs/dbraw/zinc/43/30/91/473433091.db2.gz ZFYXBQMCFYSTCH-ZIAGYGMSSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151415133 473454351 /nfs/dbraw/zinc/45/43/51/473454351.db2.gz HYYKJYGUFMXXKQ-MDZRGWNJSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NC(C)(C)C ZINC000163619161 473459796 /nfs/dbraw/zinc/45/97/96/473459796.db2.gz CVOYKZJGLFRGQS-LSDHHAIUSA-N 1 3 335.492 2.581 20 0 EFADHO C[C@@H](NC[C@H](O)COc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674297 473485113 /nfs/dbraw/zinc/48/51/13/473485113.db2.gz RYZHFPBZUHVSFF-AOIWGVFYSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@@H](NC[C@H](O)COc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674297 473485119 /nfs/dbraw/zinc/48/51/19/473485119.db2.gz RYZHFPBZUHVSFF-AOIWGVFYSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185674297 473485124 /nfs/dbraw/zinc/48/51/24/473485124.db2.gz RYZHFPBZUHVSFF-AOIWGVFYSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674281 473485528 /nfs/dbraw/zinc/48/55/28/473485528.db2.gz RYZHFPBZUHVSFF-LNLFQRSKSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674281 473485532 /nfs/dbraw/zinc/48/55/32/473485532.db2.gz RYZHFPBZUHVSFF-LNLFQRSKSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000185674281 473485537 /nfs/dbraw/zinc/48/55/37/473485537.db2.gz RYZHFPBZUHVSFF-LNLFQRSKSA-N 1 3 332.488 2.669 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)CC2CCC2)CC1 ZINC000171970781 473493009 /nfs/dbraw/zinc/49/30/09/473493009.db2.gz JSBQGASNNPTRKP-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000164583665 473493813 /nfs/dbraw/zinc/49/38/13/473493813.db2.gz WXNKGJIQPZATEP-GOSISDBHSA-N 1 3 331.504 2.908 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719604 473497166 /nfs/dbraw/zinc/49/71/66/473497166.db2.gz QVMKVZKGEBVFLR-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719604 473497169 /nfs/dbraw/zinc/49/71/69/473497169.db2.gz QVMKVZKGEBVFLR-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719604 473497178 /nfs/dbraw/zinc/49/71/78/473497178.db2.gz QVMKVZKGEBVFLR-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000164973272 473504468 /nfs/dbraw/zinc/50/44/68/473504468.db2.gz ZFFYSEJXYDVPSX-MJGOQNOKSA-N 1 3 347.503 2.742 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000164973272 473504472 /nfs/dbraw/zinc/50/44/72/473504472.db2.gz ZFFYSEJXYDVPSX-MJGOQNOKSA-N 1 3 347.503 2.742 20 0 EFADHO C[C@H](C(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000165700870 473513835 /nfs/dbraw/zinc/51/38/35/473513835.db2.gz FMZKSFNSMQTLNG-FUHWJXTLSA-N 1 3 331.504 2.903 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165954975 473518728 /nfs/dbraw/zinc/51/87/28/473518728.db2.gz YNMARFWIYSFUMB-ZBFHGGJFSA-N 1 3 347.503 2.924 20 0 EFADHO C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)N1CCCCC1 ZINC000178464049 473518837 /nfs/dbraw/zinc/51/88/37/473518837.db2.gz QGASZJSOJHWJAP-DLBZAZTESA-N 1 3 347.503 2.679 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000165989885 473519784 /nfs/dbraw/zinc/51/97/84/473519784.db2.gz BGWAUSANLMCMFJ-MAUKXSAKSA-N 1 3 349.475 2.651 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000166003222 473520421 /nfs/dbraw/zinc/52/04/21/473520421.db2.gz SKRQFHDEWWPQCP-VQIMIIECSA-N 1 3 347.503 2.821 20 0 EFADHO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000126712244 473538880 /nfs/dbraw/zinc/53/88/80/473538880.db2.gz MHYCGDINANMCOO-FQEVSTJZSA-N 1 3 333.520 2.729 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000126725920 473539804 /nfs/dbraw/zinc/53/98/04/473539804.db2.gz ANWFELLHPMYSNJ-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000126725920 473539811 /nfs/dbraw/zinc/53/98/11/473539811.db2.gz ANWFELLHPMYSNJ-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000168509026 473542277 /nfs/dbraw/zinc/54/22/77/473542277.db2.gz GKXAUXPBZGJCFO-HKUYNNGSSA-N 1 3 331.504 2.886 20 0 EFADHO CCC[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000168571203 473543497 /nfs/dbraw/zinc/54/34/97/473543497.db2.gz CMNIXOVYOTWHHH-FQEVSTJZSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000168664019 473543948 /nfs/dbraw/zinc/54/39/48/473543948.db2.gz OAAOIJCVBHKVIY-GHMZBOCLSA-N 1 3 330.259 2.991 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccsc1 ZINC000178701069 473545429 /nfs/dbraw/zinc/54/54/29/473545429.db2.gz PJQUPIRPBDSMLE-ROUUACIJSA-N 1 3 345.512 2.990 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1ccsc1 ZINC000178701090 473545679 /nfs/dbraw/zinc/54/56/79/473545679.db2.gz PJQUPIRPBDSMLE-MSOLQXFVSA-N 1 3 345.512 2.990 20 0 EFADHO C[C@@H]([C@H](C)[NH2+]CCCCN1CCN(CCO)CC1)C1CCCCC1 ZINC000168925206 473545828 /nfs/dbraw/zinc/54/58/28/473545828.db2.gz FSNVIISBAMJYFC-OALUTQOASA-N 1 3 339.568 2.571 20 0 EFADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463965 473566107 /nfs/dbraw/zinc/56/61/07/473566107.db2.gz QPRAOVYDMZSDRZ-JKSUJKDBSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463965 473566113 /nfs/dbraw/zinc/56/61/13/473566113.db2.gz QPRAOVYDMZSDRZ-JKSUJKDBSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000178843385 473576904 /nfs/dbraw/zinc/57/69/04/473576904.db2.gz OVVOMUZGNPOGOU-CYBMUJFWSA-N 1 3 329.444 2.694 20 0 EFADHO C[C@H](NCC[S@](=O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000127202442 473586756 /nfs/dbraw/zinc/58/67/56/473586756.db2.gz BHOFEKRDWDVKNU-NPMXOYFQSA-N 1 3 340.533 2.825 20 0 EFADHO CC1CCC(N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000115648088 473591225 /nfs/dbraw/zinc/59/12/25/473591225.db2.gz XBXFMJDLEHPOOZ-UHFFFAOYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](NCC[S@](=O)C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000127323767 473599540 /nfs/dbraw/zinc/59/95/40/473599540.db2.gz PEFFBRNTSILYAR-NPMXOYFQSA-N 1 3 340.533 2.825 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000127392023 473607167 /nfs/dbraw/zinc/60/71/67/473607167.db2.gz XRTIRLMSBOFBAV-TXPKVOOTSA-N 1 3 331.504 2.987 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3cccc(Cl)c3)CC2)CC1 ZINC000170781901 473613817 /nfs/dbraw/zinc/61/38/17/473613817.db2.gz MOJYMCNOCGZZRC-UHFFFAOYSA-N 1 3 349.906 2.557 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000127895391 473661754 /nfs/dbraw/zinc/66/17/54/473661754.db2.gz FDPBBTJHSFJEKO-MAUKXSAKSA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000127895391 473661758 /nfs/dbraw/zinc/66/17/58/473661758.db2.gz FDPBBTJHSFJEKO-MAUKXSAKSA-N 1 3 344.503 2.563 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154094726 473667482 /nfs/dbraw/zinc/66/74/82/473667482.db2.gz KEHIWZLKGHUQFM-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000172712966 473674723 /nfs/dbraw/zinc/67/47/23/473674723.db2.gz OINLALRFRDQGND-IBGZPJMESA-N 1 3 331.504 2.834 20 0 EFADHO CC[C@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393183 473683577 /nfs/dbraw/zinc/68/35/77/473683577.db2.gz GTCPWISZYYXITF-INIZCTEOSA-N 1 3 332.492 2.535 20 0 EFADHO C[C@@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000192483379 473684777 /nfs/dbraw/zinc/68/47/77/473684777.db2.gz IAPCJPTXBOYGAD-CTNGQTDRSA-N 1 3 345.531 2.599 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000179426547 473686679 /nfs/dbraw/zinc/68/66/79/473686679.db2.gz WRDMDRXGSXBPIM-HNNXBMFYSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000179422564 473687181 /nfs/dbraw/zinc/68/71/81/473687181.db2.gz YOVCBYMWACLZPQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000179422564 473687183 /nfs/dbraw/zinc/68/71/83/473687183.db2.gz YOVCBYMWACLZPQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000179422564 473687186 /nfs/dbraw/zinc/68/71/86/473687186.db2.gz YOVCBYMWACLZPQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000179422564 473687187 /nfs/dbraw/zinc/68/71/87/473687187.db2.gz YOVCBYMWACLZPQ-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO C[C@H](C(=O)N1CCC(C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000269120946 473699440 /nfs/dbraw/zinc/69/94/40/473699440.db2.gz CMQTZUXLEUGACF-QGZVFWFLSA-N 1 3 343.515 2.527 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000269125862 473702363 /nfs/dbraw/zinc/70/23/63/473702363.db2.gz DTGHNKVRZOZTEW-SFHVURJKSA-N 1 3 333.451 2.961 20 0 EFADHO COc1ccc([C@H]2CC[N@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000192728721 473714259 /nfs/dbraw/zinc/71/42/59/473714259.db2.gz IUBJPDJXUQKXRB-FQEVSTJZSA-N 1 3 345.531 2.901 20 0 EFADHO COc1ccc([C@H]2CC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)cc1 ZINC000192728721 473714263 /nfs/dbraw/zinc/71/42/63/473714263.db2.gz IUBJPDJXUQKXRB-FQEVSTJZSA-N 1 3 345.531 2.901 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](CC)CC ZINC000274047386 473715875 /nfs/dbraw/zinc/71/58/75/473715875.db2.gz HSEAADQIAWCHJT-SFHVURJKSA-N 1 3 335.492 2.823 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262753638 473719790 /nfs/dbraw/zinc/71/97/90/473719790.db2.gz NXYZTJYUDDAATN-VDZJLULYSA-N 1 3 347.478 2.766 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000269190185 473725075 /nfs/dbraw/zinc/72/50/75/473725075.db2.gz JVZFEIUETUJYAC-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000192788201 473726214 /nfs/dbraw/zinc/72/62/14/473726214.db2.gz AIIQSFOQQWMKGL-FQEVSTJZSA-N 1 3 333.520 2.506 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000245627908 473728277 /nfs/dbraw/zinc/72/82/77/473728277.db2.gz SEEKUQVXKZDNSE-NQIIRXRSSA-N 1 3 344.547 2.966 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC000245627908 473728283 /nfs/dbraw/zinc/72/82/83/473728283.db2.gz SEEKUQVXKZDNSE-NQIIRXRSSA-N 1 3 344.547 2.966 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000245693300 473737691 /nfs/dbraw/zinc/73/76/91/473737691.db2.gz BTQBWVLVQPSHIA-OAQYLSRUSA-N 1 3 343.515 2.829 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000245693300 473737699 /nfs/dbraw/zinc/73/76/99/473737699.db2.gz BTQBWVLVQPSHIA-OAQYLSRUSA-N 1 3 343.515 2.829 20 0 EFADHO Fc1cncc([C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000281500196 473742963 /nfs/dbraw/zinc/74/29/63/473742963.db2.gz GRQTYQJQQBMZNA-KUHUBIRLSA-N 1 3 333.451 2.762 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@H]1CCOC1)C1CCN(C)CC1 ZINC000245754923 473745548 /nfs/dbraw/zinc/74/55/48/473745548.db2.gz OLPAXODKTLAYQL-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@H]1CCOC1)C1CCN(C)CC1 ZINC000245754923 473745554 /nfs/dbraw/zinc/74/55/54/473745554.db2.gz OLPAXODKTLAYQL-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000269240631 473746298 /nfs/dbraw/zinc/74/62/98/473746298.db2.gz AXYUJUXLXJBWKS-LSTHTHJFSA-N 1 3 337.467 2.508 20 0 EFADHO O=C(CNC[C@@H]1CCCO1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269242306 473746329 /nfs/dbraw/zinc/74/63/29/473746329.db2.gz JXSXNFDGUSWEMK-IBGZPJMESA-N 1 3 345.487 2.770 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1(C)C ZINC000281511666 473747618 /nfs/dbraw/zinc/74/76/18/473747618.db2.gz AATDRTCOGFLCMH-UHFFFAOYSA-N 1 3 338.499 2.864 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@H]2COc3ccccc32)CC1 ZINC000193008325 473759982 /nfs/dbraw/zinc/75/99/82/473759982.db2.gz ONLBUXUFISZJLK-PKOBYXMFSA-N 1 3 331.504 2.557 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186820248 473762960 /nfs/dbraw/zinc/76/29/60/473762960.db2.gz DHXRPYBZEOYUEP-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCCCCS(C)(=O)=O)CC2)C1 ZINC000186855436 473768998 /nfs/dbraw/zinc/76/89/98/473768998.db2.gz RCYNAJVIJGAJAT-SJLPKXTDSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCCCS(C)(=O)=O)CC2)C1 ZINC000186855436 473769003 /nfs/dbraw/zinc/76/90/03/473769003.db2.gz RCYNAJVIJGAJAT-SJLPKXTDSA-N 1 3 344.565 2.834 20 0 EFADHO CS(=O)(=O)CCCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000186871391 473772035 /nfs/dbraw/zinc/77/20/35/473772035.db2.gz WIGVUOPSBJHQKC-UHFFFAOYSA-N 1 3 330.538 2.588 20 0 EFADHO CS(=O)(=O)CCCCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000186871391 473772038 /nfs/dbraw/zinc/77/20/38/473772038.db2.gz WIGVUOPSBJHQKC-UHFFFAOYSA-N 1 3 330.538 2.588 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000287878216 473786002 /nfs/dbraw/zinc/78/60/02/473786002.db2.gz YGEBJLMLPBWGQK-OAHLLOKOSA-N 1 3 325.460 2.935 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000246273509 473812303 /nfs/dbraw/zinc/81/23/03/473812303.db2.gz AXMONIFFCPJTTI-MSOLQXFVSA-N 1 3 327.472 2.572 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000246273509 473812310 /nfs/dbraw/zinc/81/23/10/473812310.db2.gz AXMONIFFCPJTTI-MSOLQXFVSA-N 1 3 327.472 2.572 20 0 EFADHO COc1c(Br)cccc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000187226510 473841424 /nfs/dbraw/zinc/84/14/24/473841424.db2.gz SLUNKUCZCBMZED-GFCCVEGCSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246378081 473844339 /nfs/dbraw/zinc/84/43/39/473844339.db2.gz ISDJFVFSJLOKGR-NEWSRXKRSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000246378081 473844345 /nfs/dbraw/zinc/84/43/45/473844345.db2.gz ISDJFVFSJLOKGR-NEWSRXKRSA-N 1 3 341.499 2.640 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCN(C)C2CC2)c1 ZINC000274513432 473857877 /nfs/dbraw/zinc/85/78/77/473857877.db2.gz LPBRLFWSDFLIPJ-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246419610 473857838 /nfs/dbraw/zinc/85/78/38/473857838.db2.gz BUHKJBNYOFOUMD-YSIASYRMSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246419610 473857845 /nfs/dbraw/zinc/85/78/45/473857845.db2.gz BUHKJBNYOFOUMD-YSIASYRMSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246428311 473859546 /nfs/dbraw/zinc/85/95/46/473859546.db2.gz MPTMRNSJZALTPM-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246428311 473859550 /nfs/dbraw/zinc/85/95/50/473859550.db2.gz MPTMRNSJZALTPM-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000194216604 473862371 /nfs/dbraw/zinc/86/23/71/473862371.db2.gz BVBBSMFXIQLCHZ-FQEVSTJZSA-N 1 3 329.488 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000633942884 480065112 /nfs/dbraw/zinc/06/51/12/480065112.db2.gz SNZRWWKVQQVOHA-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246461489 473871237 /nfs/dbraw/zinc/87/12/37/473871237.db2.gz PFGFCAXRJMEQQJ-LPHOPBHVSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246461489 473871243 /nfs/dbraw/zinc/87/12/43/473871243.db2.gz PFGFCAXRJMEQQJ-LPHOPBHVSA-N 1 3 346.519 2.620 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCSCC1 ZINC000187536535 473883552 /nfs/dbraw/zinc/88/35/52/473883552.db2.gz DLSAXZIAXNFANB-KXBFYZLASA-N 1 3 334.529 2.875 20 0 EFADHO C[N@@H+]1CCCN(CCCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180467089 473884262 /nfs/dbraw/zinc/88/42/62/473884262.db2.gz FBPWCSVRXPLZDF-NRFANRHFSA-N 1 3 338.499 2.788 20 0 EFADHO C[N@H+]1CCCN(CCCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180467089 473884269 /nfs/dbraw/zinc/88/42/69/473884269.db2.gz FBPWCSVRXPLZDF-NRFANRHFSA-N 1 3 338.499 2.788 20 0 EFADHO CN1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000246531381 473891659 /nfs/dbraw/zinc/89/16/59/473891659.db2.gz RVRRVARFORBUEA-YJBOKZPZSA-N 1 3 335.517 2.637 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@](C)(O)C(F)(F)F ZINC000281950826 473894602 /nfs/dbraw/zinc/89/46/02/473894602.db2.gz JQTJMACLPUZQPO-INIZCTEOSA-N 1 3 345.409 2.933 20 0 EFADHO CN1CC[C@@H](CSc2nnc(SC[C@@H]3CC[N@H+](C)C3)s2)C1 ZINC000187656724 473899585 /nfs/dbraw/zinc/89/95/85/473899585.db2.gz ILJOLJZRMFDYNY-VXGBXAGGSA-N 1 3 344.575 2.626 20 0 EFADHO CN1CC[C@@H](CSc2nnc(SC[C@@H]3CC[N@@H+](C)C3)s2)C1 ZINC000187656724 473899596 /nfs/dbraw/zinc/89/95/96/473899596.db2.gz ILJOLJZRMFDYNY-VXGBXAGGSA-N 1 3 344.575 2.626 20 0 EFADHO COCCC[C@H](NCCC[N@H+](C)CCOC)c1ccc(F)cc1 ZINC000282075719 473937828 /nfs/dbraw/zinc/93/78/28/473937828.db2.gz XDVCONPMMYKOPW-SFHVURJKSA-N 1 3 326.456 2.851 20 0 EFADHO COCCC[C@H](NCCC[N@@H+](C)CCOC)c1ccc(F)cc1 ZINC000282075719 473937834 /nfs/dbraw/zinc/93/78/34/473937834.db2.gz XDVCONPMMYKOPW-SFHVURJKSA-N 1 3 326.456 2.851 20 0 EFADHO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274746768 473942187 /nfs/dbraw/zinc/94/21/87/473942187.db2.gz AYZQBLLLOSJMML-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000194742880 473946609 /nfs/dbraw/zinc/94/66/09/473946609.db2.gz LNELKFIVACVERV-VQIMIIECSA-N 1 3 341.499 2.640 20 0 EFADHO COCc1cc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000282127298 473954597 /nfs/dbraw/zinc/95/45/97/473954597.db2.gz BEQLQTOKJGRFSZ-MRXNPFEDSA-N 1 3 349.519 2.518 20 0 EFADHO CN(C)c1ccccc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949951 473964369 /nfs/dbraw/zinc/96/43/69/473964369.db2.gz PGHYAONZIMANCD-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000282159796 473964776 /nfs/dbraw/zinc/96/47/76/473964776.db2.gz DIAKSXHLXSMJLQ-GOSISDBHSA-N 1 3 347.503 2.525 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282177323 473971513 /nfs/dbraw/zinc/97/15/13/473971513.db2.gz FLKXHLBVNDDOOP-SFHVURJKSA-N 1 3 331.504 2.824 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@H](C)C2)C[C@@H](C)O1 ZINC000246840758 473979212 /nfs/dbraw/zinc/97/92/12/473979212.db2.gz AXQUUBLSHNYOCX-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000246840758 473979219 /nfs/dbraw/zinc/97/92/19/473979219.db2.gz AXQUUBLSHNYOCX-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000246840758 473979225 /nfs/dbraw/zinc/97/92/25/473979225.db2.gz AXQUUBLSHNYOCX-NEYJZJCJSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000282205440 473981456 /nfs/dbraw/zinc/98/14/56/473981456.db2.gz HDIWMAQCPRAEKR-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000282212343 473984037 /nfs/dbraw/zinc/98/40/37/473984037.db2.gz OMQHPSKXJHFLMH-RTWAWAEBSA-N 1 3 345.531 2.729 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)[C@@H](C)C1 ZINC000246867227 473987926 /nfs/dbraw/zinc/98/79/26/473987926.db2.gz DFBONGJCFVWUFW-JSGCOSHPSA-N 1 3 331.382 2.843 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246879193 473990908 /nfs/dbraw/zinc/99/09/08/473990908.db2.gz DWYCKYSUXWSDNK-SJLPKXTDSA-N 1 3 330.476 2.696 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246879193 473990914 /nfs/dbraw/zinc/99/09/14/473990914.db2.gz DWYCKYSUXWSDNK-SJLPKXTDSA-N 1 3 330.476 2.696 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1(C)C ZINC000282267430 474001816 /nfs/dbraw/zinc/00/18/16/474001816.db2.gz KIPRSXWNENLWNT-INIZCTEOSA-N 1 3 337.508 2.978 20 0 EFADHO CSc1ccccc1C[C@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282296727 474013907 /nfs/dbraw/zinc/01/39/07/474013907.db2.gz MBBOICXTMFMKHR-INIZCTEOSA-N 1 3 335.561 2.955 20 0 EFADHO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274930866 474018006 /nfs/dbraw/zinc/01/80/06/474018006.db2.gz QVSZOBDVCGJUJB-DFQSSKMNSA-N 1 3 347.572 2.924 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246997467 474029697 /nfs/dbraw/zinc/02/96/97/474029697.db2.gz TVCGAWFFZQIKHN-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246997467 474029705 /nfs/dbraw/zinc/02/97/05/474029705.db2.gz TVCGAWFFZQIKHN-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC(C)CC1 ZINC000174387624 474033580 /nfs/dbraw/zinc/03/35/80/474033580.db2.gz OZTMNMDOJGZFIO-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC(C)CC1 ZINC000174387624 474033585 /nfs/dbraw/zinc/03/35/85/474033585.db2.gz OZTMNMDOJGZFIO-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCCC2 ZINC000181468101 474039740 /nfs/dbraw/zinc/03/97/40/474039740.db2.gz BCLQXMPHIONUNT-OALUTQOASA-N 1 3 337.552 2.730 20 0 EFADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC(C)C ZINC000282384124 474045627 /nfs/dbraw/zinc/04/56/27/474045627.db2.gz OPQRQILWKVTXSE-UHFFFAOYSA-N 1 3 349.519 2.598 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264582427 474046685 /nfs/dbraw/zinc/04/66/85/474046685.db2.gz JVQSTHMNSRTNMO-SFHVURJKSA-N 1 3 330.476 2.840 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000275117611 474075682 /nfs/dbraw/zinc/07/56/82/474075682.db2.gz ZBHXBKIIJBQYIE-CVEARBPZSA-N 1 3 346.519 2.890 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000282492804 474085678 /nfs/dbraw/zinc/08/56/78/474085678.db2.gz XPQNQINFJIJZEW-AWEZNQCLSA-N 1 3 341.446 2.965 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C)C1 ZINC000247228650 474094658 /nfs/dbraw/zinc/09/46/58/474094658.db2.gz WUQQJXNMNSPLCU-HOJAQTOUSA-N 1 3 343.515 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@H](C)C1 ZINC000247228650 474094666 /nfs/dbraw/zinc/09/46/66/474094666.db2.gz WUQQJXNMNSPLCU-HOJAQTOUSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000289056116 474131821 /nfs/dbraw/zinc/13/18/21/474131821.db2.gz BQLTXGPENICPPR-CZUORRHYSA-N 1 3 330.394 2.855 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)C1C[C@H](c2ccccc2)OC1=O ZINC000289058823 474134152 /nfs/dbraw/zinc/13/41/52/474134152.db2.gz IZXWLZBGGGQZNA-QZTJIDSGSA-N 1 3 344.455 2.673 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182271368 474137524 /nfs/dbraw/zinc/13/75/24/474137524.db2.gz RRYJGGVLIRGCBG-GBESFXJTSA-N 1 3 332.488 2.546 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000188621703 474143732 /nfs/dbraw/zinc/14/37/32/474143732.db2.gz OKKLQGYUGAWZSL-IBGZPJMESA-N 1 3 346.519 2.807 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000175152674 474149844 /nfs/dbraw/zinc/14/98/44/474149844.db2.gz YOXHGNXBWITXHX-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000175152674 474149848 /nfs/dbraw/zinc/14/98/48/474149848.db2.gz YOXHGNXBWITXHX-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540656 474177784 /nfs/dbraw/zinc/17/77/84/474177784.db2.gz QAHMXEVGPTXMHP-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540656 474177791 /nfs/dbraw/zinc/17/77/91/474177791.db2.gz QAHMXEVGPTXMHP-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540656 474177798 /nfs/dbraw/zinc/17/77/98/474177798.db2.gz QAHMXEVGPTXMHP-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CCC[NH+]1CCC(NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223367958 474183287 /nfs/dbraw/zinc/18/32/87/474183287.db2.gz SGLYWZLQJPWLSF-MRXNPFEDSA-N 1 3 325.497 2.850 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223367892 474183775 /nfs/dbraw/zinc/18/37/75/474183775.db2.gz SGLYWZLQJPWLSF-INIZCTEOSA-N 1 3 325.497 2.850 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000223545811 474186604 /nfs/dbraw/zinc/18/66/04/474186604.db2.gz DXMVAIVAVVFVTD-HNNXBMFYSA-N 1 3 325.497 2.848 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2CCCF)c1 ZINC000282775663 474190188 /nfs/dbraw/zinc/19/01/88/474190188.db2.gz OPIPASGSGNTRTO-HKUYNNGSSA-N 1 3 349.494 2.986 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289255047 474199024 /nfs/dbraw/zinc/19/90/24/474199024.db2.gz BTBSFAOKHBPVBM-ROUUACIJSA-N 1 3 344.455 2.527 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289269236 474202683 /nfs/dbraw/zinc/20/26/83/474202683.db2.gz NIHZXBRPFPDEOL-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289269236 474202687 /nfs/dbraw/zinc/20/26/87/474202687.db2.gz NIHZXBRPFPDEOL-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCCF)cc1 ZINC000282836949 474212714 /nfs/dbraw/zinc/21/27/14/474212714.db2.gz VWNHKMAWXNGYCS-PKOBYXMFSA-N 1 3 349.494 2.986 20 0 EFADHO COc1ccc2oc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)cc2c1 ZINC000270669317 474213229 /nfs/dbraw/zinc/21/32/29/474213229.db2.gz VVPPIBIXJXYNEZ-OALUTQOASA-N 1 3 344.455 2.909 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(CC)CC ZINC000265448702 474218054 /nfs/dbraw/zinc/21/80/54/474218054.db2.gz CEJYNYFMXIDGBH-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CCO[C@@H]1C[C@@](CO)([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000188904137 474230029 /nfs/dbraw/zinc/23/00/29/474230029.db2.gz WXIROJBYRMORLS-QUCCMNQESA-N 1 3 338.536 2.939 20 0 EFADHO CCO[C@@H]1C[C@](CO)([NH2+]C2CCN(C3CCCCC3)CC2)C1(C)C ZINC000188904178 474230224 /nfs/dbraw/zinc/23/02/24/474230224.db2.gz WXIROJBYRMORLS-UYAOXDASSA-N 1 3 338.536 2.939 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000275559917 474236288 /nfs/dbraw/zinc/23/62/88/474236288.db2.gz BBRRWKDQLSTGNO-INIZCTEOSA-N 1 3 332.492 2.596 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000275559917 474236290 /nfs/dbraw/zinc/23/62/90/474236290.db2.gz BBRRWKDQLSTGNO-INIZCTEOSA-N 1 3 332.492 2.596 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@@H](C)c1ccccc1 ZINC000275567744 474238171 /nfs/dbraw/zinc/23/81/71/474238171.db2.gz XQXYDAIKAJTDGU-DZJNRPSUSA-N 1 3 335.467 2.568 20 0 EFADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000175512675 474238457 /nfs/dbraw/zinc/23/84/57/474238457.db2.gz YGHFQYBPRLYVFK-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226365776 474241015 /nfs/dbraw/zinc/24/10/15/474241015.db2.gz QAMQDEAOZLJYFT-MRXNPFEDSA-N 1 3 325.497 2.565 20 0 EFADHO CC1CCN(CCNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275592495 474244704 /nfs/dbraw/zinc/24/47/04/474244704.db2.gz FSZSXRWHZXTSSK-UHFFFAOYSA-N 1 3 332.492 2.644 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccs1 ZINC000265591421 474263101 /nfs/dbraw/zinc/26/31/01/474263101.db2.gz ATAMLHCNBAWIST-JKSUJKDBSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccs1 ZINC000265591421 474263105 /nfs/dbraw/zinc/26/31/05/474263105.db2.gz ATAMLHCNBAWIST-JKSUJKDBSA-N 1 3 337.533 2.726 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](CN)c3ccccc3)C2)CC1 ZINC000236624906 474274696 /nfs/dbraw/zinc/27/46/96/474274696.db2.gz BOVGODOIYPYQCI-ICSRJNTNSA-N 1 3 343.515 2.699 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189050858 474276548 /nfs/dbraw/zinc/27/65/48/474276548.db2.gz VBHDXPCXQYZQAW-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189050858 474276555 /nfs/dbraw/zinc/27/65/55/474276555.db2.gz VBHDXPCXQYZQAW-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236666114 474277884 /nfs/dbraw/zinc/27/78/84/474277884.db2.gz RLQCNRXNNIBASB-MOPGFXCFSA-N 1 3 331.504 2.602 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000236652534 474278200 /nfs/dbraw/zinc/27/82/00/474278200.db2.gz XLPOHJWNQDWUFS-IBGZPJMESA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000236652534 474278206 /nfs/dbraw/zinc/27/82/06/474278206.db2.gz XLPOHJWNQDWUFS-IBGZPJMESA-N 1 3 331.504 2.730 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCCC2)c2ccccc2)CC1 ZINC000236659110 474278468 /nfs/dbraw/zinc/27/84/68/474278468.db2.gz ILTWGYUNLATKSB-GOSISDBHSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265657346 474284596 /nfs/dbraw/zinc/28/45/96/474284596.db2.gz PYBJXQULLYCXOS-BZYKYNINSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265657346 474284603 /nfs/dbraw/zinc/28/46/03/474284603.db2.gz PYBJXQULLYCXOS-BZYKYNINSA-N 1 3 343.515 2.899 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCN2CCCC2)cc1 ZINC000275699103 474287133 /nfs/dbraw/zinc/28/71/33/474287133.db2.gz LFVOJMRVYKRRAH-IBGZPJMESA-N 1 3 327.476 2.793 20 0 EFADHO CN1CCN(CC2CC[NH+](CCSCc3ccccc3)CC2)CC1 ZINC000289480260 474288262 /nfs/dbraw/zinc/28/82/62/474288262.db2.gz QITBNNMFTIHCFK-UHFFFAOYSA-N 1 3 347.572 2.879 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265664647 474288183 /nfs/dbraw/zinc/28/81/83/474288183.db2.gz CMUJNGOMFWRSJW-NEWSRXKRSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265664647 474288190 /nfs/dbraw/zinc/28/81/90/474288190.db2.gz CMUJNGOMFWRSJW-NEWSRXKRSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265664649 474288625 /nfs/dbraw/zinc/28/86/25/474288625.db2.gz CMUJNGOMFWRSJW-NZSAHSFTSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265664649 474288631 /nfs/dbraw/zinc/28/86/31/474288631.db2.gz CMUJNGOMFWRSJW-NZSAHSFTSA-N 1 3 329.488 2.592 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1ccccc1 ZINC000289482768 474289980 /nfs/dbraw/zinc/28/99/80/474289980.db2.gz QRCWDTVIUZHKCZ-UHFFFAOYSA-N 1 3 341.503 2.535 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000275727649 474296307 /nfs/dbraw/zinc/29/63/07/474296307.db2.gz WVHTYTMRZUKMQB-SFHVURJKSA-N 1 3 344.503 2.883 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000275727649 474296314 /nfs/dbraw/zinc/29/63/14/474296314.db2.gz WVHTYTMRZUKMQB-SFHVURJKSA-N 1 3 344.503 2.883 20 0 EFADHO CCN1CCC(n2nccc2NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000236922575 474303561 /nfs/dbraw/zinc/30/35/61/474303561.db2.gz AGVPXQNZXWSRIA-OAHLLOKOSA-N 1 3 347.507 2.504 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000236917811 474303715 /nfs/dbraw/zinc/30/37/15/474303715.db2.gz OTGGXCQWZINADZ-FQEVSTJZSA-N 1 3 339.483 2.887 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236924834 474304531 /nfs/dbraw/zinc/30/45/31/474304531.db2.gz BTAOKJIFKUMTBY-HNAYVOBHSA-N 1 3 344.503 2.531 20 0 EFADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396901 474305915 /nfs/dbraw/zinc/30/59/15/474305915.db2.gz HMUQZXXFLVKIPR-LFAQGZIKSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248396901 474305919 /nfs/dbraw/zinc/30/59/19/474305919.db2.gz HMUQZXXFLVKIPR-LFAQGZIKSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396901 474305924 /nfs/dbraw/zinc/30/59/24/474305924.db2.gz HMUQZXXFLVKIPR-LFAQGZIKSA-N 1 3 348.556 2.989 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1CCCCCC1 ZINC000175783250 474307785 /nfs/dbraw/zinc/30/77/85/474307785.db2.gz DJGSELILEDBQLA-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236967021 474313328 /nfs/dbraw/zinc/31/33/28/474313328.db2.gz LAGHZMGSBNSUOO-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236967021 474313331 /nfs/dbraw/zinc/31/33/31/474313331.db2.gz LAGHZMGSBNSUOO-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO c1ccc(COCCOCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248414100 474313514 /nfs/dbraw/zinc/31/35/14/474313514.db2.gz MGKKFGLXNBBPPI-UXHICEINSA-N 1 3 332.488 2.826 20 0 EFADHO c1ccc(COCCOCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248414100 474313521 /nfs/dbraw/zinc/31/35/21/474313521.db2.gz MGKKFGLXNBBPPI-UXHICEINSA-N 1 3 332.488 2.826 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236990844 474318374 /nfs/dbraw/zinc/31/83/74/474318374.db2.gz DDWONJUIKMDIJW-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236994687 474318847 /nfs/dbraw/zinc/31/88/47/474318847.db2.gz RFRZNQXWYDBRMQ-DKKFBQAASA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236994687 474318856 /nfs/dbraw/zinc/31/88/56/474318856.db2.gz RFRZNQXWYDBRMQ-DKKFBQAASA-N 1 3 331.504 2.871 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248437174 474321634 /nfs/dbraw/zinc/32/16/34/474321634.db2.gz GWWRKAUBQFFPJE-UZLBHIALSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248437174 474321640 /nfs/dbraw/zinc/32/16/40/474321640.db2.gz GWWRKAUBQFFPJE-UZLBHIALSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000248439275 474323899 /nfs/dbraw/zinc/32/38/99/474323899.db2.gz IJYULEHUAWGPIE-PMACEKPBSA-N 1 3 342.487 2.618 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cnn(C)c1 ZINC000248439275 474323907 /nfs/dbraw/zinc/32/39/07/474323907.db2.gz IJYULEHUAWGPIE-PMACEKPBSA-N 1 3 342.487 2.618 20 0 EFADHO CN(C)CCN1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000275815046 474327729 /nfs/dbraw/zinc/32/77/29/474327729.db2.gz QKUVSFPCQUANNW-UHFFFAOYSA-N 1 3 333.520 2.851 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cccc4[nH]ccc43)CC2)CC1 ZINC000237070766 474332768 /nfs/dbraw/zinc/33/27/68/474332768.db2.gz HAZHAQYKMAARSB-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO CN1CCC(N2CCC([NH2+]Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000237070766 474332770 /nfs/dbraw/zinc/33/27/70/474332770.db2.gz HAZHAQYKMAARSB-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCC2 ZINC000248464064 474333134 /nfs/dbraw/zinc/33/31/34/474333134.db2.gz ZEYOKWJWESSHJF-VAMGGRTRSA-N 1 3 344.499 2.691 20 0 EFADHO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133202 474334783 /nfs/dbraw/zinc/33/47/83/474334783.db2.gz WDOVPBFOUPCHCR-UFYCRDLUSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000237138946 474345084 /nfs/dbraw/zinc/34/50/84/474345084.db2.gz BAQDEZVJPUFCJU-OALUTQOASA-N 1 3 325.456 2.804 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183699 474346482 /nfs/dbraw/zinc/34/64/82/474346482.db2.gz UFTSPCJTVKVOIP-WFXMLNOXSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183699 474346488 /nfs/dbraw/zinc/34/64/88/474346488.db2.gz UFTSPCJTVKVOIP-WFXMLNOXSA-N 1 3 344.547 2.965 20 0 EFADHO COC(=O)c1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)c[nH]1 ZINC000237175483 474351819 /nfs/dbraw/zinc/35/18/19/474351819.db2.gz QSECRVOVYAGQNB-UHFFFAOYSA-N 1 3 329.444 2.931 20 0 EFADHO COC(=O)c1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)c[nH]1 ZINC000237175483 474351823 /nfs/dbraw/zinc/35/18/23/474351823.db2.gz QSECRVOVYAGQNB-UHFFFAOYSA-N 1 3 329.444 2.931 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268253 474354955 /nfs/dbraw/zinc/35/49/55/474354955.db2.gz WLWZUWITCGXSSC-OALUTQOASA-N 1 3 343.515 2.812 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268253 474354962 /nfs/dbraw/zinc/35/49/62/474354962.db2.gz WLWZUWITCGXSSC-OALUTQOASA-N 1 3 343.515 2.812 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308901 474367251 /nfs/dbraw/zinc/36/72/51/474367251.db2.gz YVCHSEXKPCQSNY-RBUKOAKNSA-N 1 3 343.515 2.812 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308901 474367260 /nfs/dbraw/zinc/36/72/60/474367260.db2.gz YVCHSEXKPCQSNY-RBUKOAKNSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269805 474372481 /nfs/dbraw/zinc/37/24/81/474372481.db2.gz HKGJNOQWAFGMFS-GUDVDZBRSA-N 1 3 329.488 2.627 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000237276908 474373680 /nfs/dbraw/zinc/37/36/80/474373680.db2.gz HCSZRBFIGNAKGG-CRAIPNDOSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000237276908 474373687 /nfs/dbraw/zinc/37/36/87/474373687.db2.gz HCSZRBFIGNAKGG-CRAIPNDOSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000237321639 474380945 /nfs/dbraw/zinc/38/09/45/474380945.db2.gz HCSZRBFIGNAKGG-QAPCUYQASA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000237321639 474380953 /nfs/dbraw/zinc/38/09/53/474380953.db2.gz HCSZRBFIGNAKGG-QAPCUYQASA-N 1 3 349.544 2.615 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000289698364 474382112 /nfs/dbraw/zinc/38/21/12/474382112.db2.gz IMLIFZQUNFGWJX-FGTMMUONSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000289698364 474382119 /nfs/dbraw/zinc/38/21/19/474382119.db2.gz IMLIFZQUNFGWJX-FGTMMUONSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)s1 ZINC000289698364 474382125 /nfs/dbraw/zinc/38/21/25/474382125.db2.gz IMLIFZQUNFGWJX-FGTMMUONSA-N 1 3 342.512 2.889 20 0 EFADHO C[C@H](C(=O)NC1CCC([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237406048 474396510 /nfs/dbraw/zinc/39/65/10/474396510.db2.gz LODJGTHZWZDUTQ-PBPGXSGUSA-N 1 3 343.515 2.716 20 0 EFADHO c1ccc(C[N@H+]2CC[C@H](N3CCN(C[C@H]4CCSC4)CC3)C2)cc1 ZINC000289743877 474407201 /nfs/dbraw/zinc/40/72/01/474407201.db2.gz QGOXUQHMENDWJC-UXHICEINSA-N 1 3 345.556 2.632 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@H](N3CCN(C[C@H]4CCSC4)CC3)C2)cc1 ZINC000289743877 474407204 /nfs/dbraw/zinc/40/72/04/474407204.db2.gz QGOXUQHMENDWJC-UXHICEINSA-N 1 3 345.556 2.632 20 0 EFADHO C[C@@H](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237460610 474409835 /nfs/dbraw/zinc/40/98/35/474409835.db2.gz XEYCEBQQVPTMRI-PXNSSMCTSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237467726 474410233 /nfs/dbraw/zinc/41/02/33/474410233.db2.gz WCYJOGFJOZKOIS-QZTJIDSGSA-N 1 3 343.515 2.544 20 0 EFADHO CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248734250 474419725 /nfs/dbraw/zinc/41/97/25/474419725.db2.gz PJJUYJWKHKDCIV-ILZDJORESA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237565708 474429138 /nfs/dbraw/zinc/42/91/38/474429138.db2.gz PYTZIEWSLHQCNY-LMNJBCLMSA-N 1 3 343.515 2.888 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(OC(C)C)C3)cc2)CC1 ZINC000189520043 474429592 /nfs/dbraw/zinc/42/95/92/474429592.db2.gz NYHGWGHZUWYTPC-UHFFFAOYSA-N 1 3 345.531 2.870 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237570181 474430936 /nfs/dbraw/zinc/43/09/36/474430936.db2.gz HGNHFPBHYKNQHW-UZLBHIALSA-N 1 3 337.467 2.928 20 0 EFADHO COCCOCc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000289798645 474432356 /nfs/dbraw/zinc/43/23/56/474432356.db2.gz REAVMSQZLHGHHH-UHFFFAOYSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237587271 474434669 /nfs/dbraw/zinc/43/46/69/474434669.db2.gz LGOCJTOKBGTCTR-VQIMIIECSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237584830 474434971 /nfs/dbraw/zinc/43/49/71/474434971.db2.gz CIHAULBGJOEQRX-SJLPKXTDSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237584830 474434976 /nfs/dbraw/zinc/43/49/76/474434976.db2.gz CIHAULBGJOEQRX-SJLPKXTDSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237591314 474436846 /nfs/dbraw/zinc/43/68/46/474436846.db2.gz HGNHFPBHYKNQHW-OXQOHEQNSA-N 1 3 337.467 2.928 20 0 EFADHO C[C@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]C1 ZINC000237607000 474439939 /nfs/dbraw/zinc/43/99/39/474439939.db2.gz CFARMJBUGQDGJB-IBGZPJMESA-N 1 3 347.528 2.606 20 0 EFADHO C[C@H](CC(=O)NCCCN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237620197 474442382 /nfs/dbraw/zinc/44/23/82/474442382.db2.gz KAUSYTBAOXKXSX-QGZVFWFLSA-N 1 3 331.504 2.651 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283606233 474448164 /nfs/dbraw/zinc/44/81/64/474448164.db2.gz QSULFGLOBXIJKL-GOSISDBHSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283606233 474448170 /nfs/dbraw/zinc/44/81/70/474448170.db2.gz QSULFGLOBXIJKL-GOSISDBHSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237644484 474448438 /nfs/dbraw/zinc/44/84/38/474448438.db2.gz PKRHLSBGJRUDQN-IAGOWNOFSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000183949960 474450692 /nfs/dbraw/zinc/45/06/92/474450692.db2.gz VTDNLBPEOOGEBB-HNNXBMFYSA-N 1 3 338.517 2.863 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000289851171 474455431 /nfs/dbraw/zinc/45/54/31/474455431.db2.gz CEYXDJVACIAKTP-ZWKOTPCHSA-N 1 3 345.487 2.796 20 0 EFADHO CN(C)C1(CN(C)C(=O)NCCC[N@H+](C)C2CCCCC2)CCC1 ZINC000189643269 474455666 /nfs/dbraw/zinc/45/56/66/474455666.db2.gz NLONVSIKCPVXEL-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)C1(CN(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)CCC1 ZINC000189643269 474455670 /nfs/dbraw/zinc/45/56/70/474455670.db2.gz NLONVSIKCPVXEL-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO Cc1cc(NC(=O)C2(C[NH3+])CCCC2)ccc1OCCN1CCCC1 ZINC000237687789 474458674 /nfs/dbraw/zinc/45/86/74/474458674.db2.gz CFGHMBPFBQLOTC-UHFFFAOYSA-N 1 3 345.487 2.927 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000237711879 474462605 /nfs/dbraw/zinc/46/26/05/474462605.db2.gz ALOLGZSXROSVMP-BEFAXECRSA-N 1 3 325.456 2.701 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000248863800 474462826 /nfs/dbraw/zinc/46/28/26/474462826.db2.gz SKQWKKXWQUFWNB-LJQANCHMSA-N 1 3 337.552 2.826 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000248863800 474462833 /nfs/dbraw/zinc/46/28/33/474462833.db2.gz SKQWKKXWQUFWNB-LJQANCHMSA-N 1 3 337.552 2.826 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000176399424 474464279 /nfs/dbraw/zinc/46/42/79/474464279.db2.gz FWPCUWJCPZRELL-RBUKOAKNSA-N 1 3 346.519 2.723 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1OCCN1CCCC1 ZINC000237717969 474464268 /nfs/dbraw/zinc/46/42/68/474464268.db2.gz HHJJFXMJGBMQOF-SJORKVTESA-N 1 3 331.460 2.536 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000237719356 474464410 /nfs/dbraw/zinc/46/44/10/474464410.db2.gz DBOCDDMQWSMKHD-BEFAXECRSA-N 1 3 341.455 2.902 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237728198 474466454 /nfs/dbraw/zinc/46/64/54/474466454.db2.gz DKAKSZRBCMYWMW-AEFFLSMTSA-N 1 3 329.488 2.593 20 0 EFADHO Cc1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1OCC[NH+]1CCCC1 ZINC000237745994 474468289 /nfs/dbraw/zinc/46/82/89/474468289.db2.gz CIFHUWLTGIFUEJ-QGZVFWFLSA-N 1 3 333.476 2.782 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCN1Cc1ccccc1 ZINC000289905462 474478457 /nfs/dbraw/zinc/47/84/57/474478457.db2.gz NBZSAJWJLFDAEY-PSBWJHGTSA-N 1 3 329.488 2.544 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237821638 474483410 /nfs/dbraw/zinc/48/34/10/474483410.db2.gz AKRVPLGZNUKKNZ-PMACEKPBSA-N 1 3 337.467 2.510 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000237886803 474493945 /nfs/dbraw/zinc/49/39/45/474493945.db2.gz KGTOOKNNWNPXSJ-NXEWRWPSSA-N 1 3 341.499 2.688 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237893305 474496271 /nfs/dbraw/zinc/49/62/71/474496271.db2.gz VDLSJCKWVQVJTL-RAFMOHDBSA-N 1 3 341.499 2.688 20 0 EFADHO [NH3+][C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237897803 474497251 /nfs/dbraw/zinc/49/72/51/474497251.db2.gz ZTXFPNOGKWIKGV-UXHICEINSA-N 1 3 337.467 2.857 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000176618435 474509427 /nfs/dbraw/zinc/50/94/27/474509427.db2.gz JEMAQHWEAXOBDL-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237945468 474510170 /nfs/dbraw/zinc/51/01/70/474510170.db2.gz WZNPQIQQOABNQF-FQEVSTJZSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238003362 474519280 /nfs/dbraw/zinc/51/92/80/474519280.db2.gz WZNPQIQQOABNQF-HXUWFJFHSA-N 1 3 341.499 2.642 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000238024410 474524021 /nfs/dbraw/zinc/52/40/21/474524021.db2.gz IDHDCZOREWPGBA-SJORKVTESA-N 1 3 347.528 2.734 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)N1CCCCC1 ZINC000184509071 474533036 /nfs/dbraw/zinc/53/30/36/474533036.db2.gz ARSDNOBEVSCIQJ-CVEARBPZSA-N 1 3 328.464 2.577 20 0 EFADHO O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000238121881 474537276 /nfs/dbraw/zinc/53/72/76/474537276.db2.gz KEGBCWHVEUZBQD-QFIPXVFZSA-N 1 3 338.495 2.887 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@H](c1ccccc1)N(C)C ZINC000623015067 480110712 /nfs/dbraw/zinc/11/07/12/480110712.db2.gz AMYHXUMSMPKCRK-VQIMIIECSA-N 1 3 333.520 2.503 20 0 EFADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@H](c1ccccc1)N(C)C ZINC000623015067 480110718 /nfs/dbraw/zinc/11/07/18/480110718.db2.gz AMYHXUMSMPKCRK-VQIMIIECSA-N 1 3 333.520 2.503 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000290051770 474540942 /nfs/dbraw/zinc/54/09/42/474540942.db2.gz UCJSGTCSIYROIH-ROUUACIJSA-N 1 3 347.528 2.605 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249203501 474545755 /nfs/dbraw/zinc/54/57/55/474545755.db2.gz ARFGMZKXJVSBBB-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000249203501 474545758 /nfs/dbraw/zinc/54/57/58/474545758.db2.gz ARFGMZKXJVSBBB-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO COc1ncccc1CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000290077956 474550299 /nfs/dbraw/zinc/55/02/99/474550299.db2.gz GOAXJLZXPVRAQP-INIZCTEOSA-N 1 3 343.471 2.924 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000271445961 474550453 /nfs/dbraw/zinc/55/04/53/474550453.db2.gz CXMCYAQFCLZTAT-SLFFLAALSA-N 1 3 346.540 2.984 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290101874 474556408 /nfs/dbraw/zinc/55/64/08/474556408.db2.gz JYNNRMWRHTVUPM-AABGKKOBSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CN1C1CC1 ZINC000284042841 474558145 /nfs/dbraw/zinc/55/81/45/474558145.db2.gz OVKCCFPWVRZRCD-SJLPKXTDSA-N 1 3 343.515 2.874 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000245398459 474579107 /nfs/dbraw/zinc/57/91/07/474579107.db2.gz SRSMZZZWQWANBQ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000249493600 474580369 /nfs/dbraw/zinc/58/03/69/474580369.db2.gz YZXKGXCERMFYPV-QRVBRYPASA-N 1 3 334.529 2.697 20 0 EFADHO CSC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000249493600 474580372 /nfs/dbraw/zinc/58/03/72/474580372.db2.gz YZXKGXCERMFYPV-QRVBRYPASA-N 1 3 334.529 2.697 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000249515710 474584815 /nfs/dbraw/zinc/58/48/15/474584815.db2.gz CXPGAMAJCAJEAB-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000249515710 474584822 /nfs/dbraw/zinc/58/48/22/474584822.db2.gz CXPGAMAJCAJEAB-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CC(C)[N@@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284168411 474587458 /nfs/dbraw/zinc/58/74/58/474587458.db2.gz QQEWDGHOKFLMPN-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)[N@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284168411 474587463 /nfs/dbraw/zinc/58/74/63/474587463.db2.gz QQEWDGHOKFLMPN-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CCCC1 ZINC000184743349 474599354 /nfs/dbraw/zinc/59/93/54/474599354.db2.gz WXYJUKDXGYSYFN-IRXDYDNUSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)[NH2+]C1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284225797 474599727 /nfs/dbraw/zinc/59/97/27/474599727.db2.gz UTEDPSAMLRYEBI-NRFANRHFSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184755049 474600961 /nfs/dbraw/zinc/60/09/61/474600961.db2.gz SMDXDAJACRHOEK-IAGOWNOFSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000284252828 474604881 /nfs/dbraw/zinc/60/48/81/474604881.db2.gz VTWLJUVRWJSEMQ-GOSISDBHSA-N 1 3 341.503 2.658 20 0 EFADHO C[C@H](CCn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284273665 474607709 /nfs/dbraw/zinc/60/77/09/474607709.db2.gz HAHGNXPEARAYPN-QGZVFWFLSA-N 1 3 342.487 2.925 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249752740 474611277 /nfs/dbraw/zinc/61/12/77/474611277.db2.gz RZXSJHIDUUJTHW-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249752740 474611279 /nfs/dbraw/zinc/61/12/79/474611279.db2.gz RZXSJHIDUUJTHW-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCSCC1 ZINC000249786227 474615951 /nfs/dbraw/zinc/61/59/51/474615951.db2.gz DLSAXZIAXNFANB-DNVCBOLYSA-N 1 3 334.529 2.875 20 0 EFADHO COc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278362981 474621621 /nfs/dbraw/zinc/62/16/21/474621621.db2.gz BLAXACGRPDEWMW-CVEARBPZSA-N 1 3 336.476 2.855 20 0 EFADHO COc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278362981 474621623 /nfs/dbraw/zinc/62/16/23/474621623.db2.gz BLAXACGRPDEWMW-CVEARBPZSA-N 1 3 336.476 2.855 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000267306826 474644178 /nfs/dbraw/zinc/64/41/78/474644178.db2.gz RTTBHWOLSLOMCH-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000267325825 474648775 /nfs/dbraw/zinc/64/87/75/474648775.db2.gz KXWFYHNQQWSJEE-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267339149 474651280 /nfs/dbraw/zinc/65/12/80/474651280.db2.gz NHEVMLVBBPMMRL-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000278469093 474652936 /nfs/dbraw/zinc/65/29/36/474652936.db2.gz ZDDIAJRTJKEBPW-QGZVFWFLSA-N 1 3 333.545 2.667 20 0 EFADHO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272971539 474653931 /nfs/dbraw/zinc/65/39/31/474653931.db2.gz OLAADXWJRNNHPR-MRXNPFEDSA-N 1 3 327.472 2.663 20 0 EFADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1=CC[N@H+](C)CC1 ZINC000272984575 474657939 /nfs/dbraw/zinc/65/79/39/474657939.db2.gz PKSNBFRWMJSKJL-AWEZNQCLSA-N 1 3 341.455 2.875 20 0 EFADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1=CC[N@@H+](C)CC1 ZINC000272984575 474657943 /nfs/dbraw/zinc/65/79/43/474657943.db2.gz PKSNBFRWMJSKJL-AWEZNQCLSA-N 1 3 341.455 2.875 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000252651819 474704173 /nfs/dbraw/zinc/70/41/73/474704173.db2.gz IWFGWFNPMRACHW-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000252651819 474704182 /nfs/dbraw/zinc/70/41/82/474704182.db2.gz IWFGWFNPMRACHW-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000344397212 474718223 /nfs/dbraw/zinc/71/82/23/474718223.db2.gz XRGZLNYSTGEPTC-IRXDYDNUSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000623054472 480124209 /nfs/dbraw/zinc/12/42/09/480124209.db2.gz OHKBCPVQKMPQCF-SFHVURJKSA-N 1 3 330.476 2.744 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000340858866 474724629 /nfs/dbraw/zinc/72/46/29/474724629.db2.gz LJRGPIDRRKCOBX-RTBURBONSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000340858866 474724633 /nfs/dbraw/zinc/72/46/33/474724633.db2.gz LJRGPIDRRKCOBX-RTBURBONSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000340862910 474728932 /nfs/dbraw/zinc/72/89/32/474728932.db2.gz VIYWQIANVCMWGA-YTQUADARSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000340862910 474728943 /nfs/dbraw/zinc/72/89/43/474728943.db2.gz VIYWQIANVCMWGA-YTQUADARSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000338939554 474754782 /nfs/dbraw/zinc/75/47/82/474754782.db2.gz SYKRKOPBMCHBHT-ROUUACIJSA-N 1 3 332.488 2.887 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000292999484 474757008 /nfs/dbraw/zinc/75/70/08/474757008.db2.gz OTTHUSXLEFTOTI-HXUWFJFHSA-N 1 3 343.471 2.636 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000292999484 474757017 /nfs/dbraw/zinc/75/70/17/474757017.db2.gz OTTHUSXLEFTOTI-HXUWFJFHSA-N 1 3 343.471 2.636 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000338967666 474784377 /nfs/dbraw/zinc/78/43/77/474784377.db2.gz VTQXIAQYUUHXFE-FPOVZHCZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000338967666 474784383 /nfs/dbraw/zinc/78/43/83/474784383.db2.gz VTQXIAQYUUHXFE-FPOVZHCZSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000291996445 474793386 /nfs/dbraw/zinc/79/33/86/474793386.db2.gz BSIUNPWJMRJPHH-BHIYHBOVSA-N 1 3 329.488 2.688 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000273234559 474793667 /nfs/dbraw/zinc/79/36/67/474793667.db2.gz PCALPXCEMNQUFV-CQSZACIVSA-N 1 3 325.522 2.805 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000623060376 480126370 /nfs/dbraw/zinc/12/63/70/480126370.db2.gz KCKPQBGOOKCSQS-AEFFLSMTSA-N 1 3 330.476 2.744 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000338979304 474798925 /nfs/dbraw/zinc/79/89/25/474798925.db2.gz HNWAKMJDJBLYCO-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000338979304 474798936 /nfs/dbraw/zinc/79/89/36/474798936.db2.gz HNWAKMJDJBLYCO-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338980116 474800340 /nfs/dbraw/zinc/80/03/40/474800340.db2.gz FPUKNSJTNGFJKT-QGZVFWFLSA-N 1 3 348.535 2.927 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338980116 474800348 /nfs/dbraw/zinc/80/03/48/474800348.db2.gz FPUKNSJTNGFJKT-QGZVFWFLSA-N 1 3 348.535 2.927 20 0 EFADHO CSCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000305876763 474802550 /nfs/dbraw/zinc/80/25/50/474802550.db2.gz RQYREURZQXHULZ-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000305876763 474802558 /nfs/dbraw/zinc/80/25/58/474802558.db2.gz RQYREURZQXHULZ-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000305876763 474802565 /nfs/dbraw/zinc/80/25/65/474802565.db2.gz RQYREURZQXHULZ-ZSYWTGECSA-N 1 3 334.529 2.601 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000623065375 480127086 /nfs/dbraw/zinc/12/70/86/480127086.db2.gz ACCRNMGGIXNYHR-UHFFFAOYSA-N 1 3 330.476 2.746 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000623066503 480127553 /nfs/dbraw/zinc/12/75/53/480127553.db2.gz JIVRQMHQELRNGI-IRXDYDNUSA-N 1 3 330.476 2.602 20 0 EFADHO C[C@@](O)(C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309857011 474820105 /nfs/dbraw/zinc/82/01/05/474820105.db2.gz LMOWDKAQMKQXCI-JKSUJKDBSA-N 1 3 330.394 2.802 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309942206 474821163 /nfs/dbraw/zinc/82/11/63/474821163.db2.gz MVKIZTSGWMYASG-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@]1(C[NH2+]Cc2cc(C(N)=O)cs2)CCN(Cc2ccccc2)C1 ZINC000310090393 474822468 /nfs/dbraw/zinc/82/24/68/474822468.db2.gz QSAXCHRIYIHYIH-IBGZPJMESA-N 1 3 343.496 2.849 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000623066501 480128101 /nfs/dbraw/zinc/12/81/01/480128101.db2.gz JIVRQMHQELRNGI-DLBZAZTESA-N 1 3 330.476 2.602 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000340962475 474823776 /nfs/dbraw/zinc/82/37/76/474823776.db2.gz IDTXRFZDJVHFEI-KSZLIROESA-N 1 3 338.540 2.669 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310584630 474827620 /nfs/dbraw/zinc/82/76/20/474827620.db2.gz UFTOHMAPTPMAHD-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C12CCC[NH+]1CCC2 ZINC000278785829 474834311 /nfs/dbraw/zinc/83/43/11/474834311.db2.gz HUWFTMUUAQHWRU-MRXNPFEDSA-N 1 3 347.528 2.705 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000340981420 474843492 /nfs/dbraw/zinc/84/34/92/474843492.db2.gz FCMWRMCBEKFKNN-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCn1cc(Br)cn1 ZINC000312433581 474849956 /nfs/dbraw/zinc/84/99/56/474849956.db2.gz IKPGNYHPWHXYCN-DZGCQCFKSA-N 1 3 343.313 2.936 20 0 EFADHO Brc1cnn(CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000312413336 474850343 /nfs/dbraw/zinc/85/03/43/474850343.db2.gz GEMNRJAAIDNLTD-RBSFLKMASA-N 1 3 341.297 2.546 20 0 EFADHO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N(C)C ZINC000278816677 474851863 /nfs/dbraw/zinc/85/18/63/474851863.db2.gz PCDKUXQGDZZGQQ-HNAYVOBHSA-N 1 3 329.488 2.668 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000292125936 474863001 /nfs/dbraw/zinc/86/30/01/474863001.db2.gz QXOUEJIAMDOSMZ-MRXNPFEDSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268225563 474873013 /nfs/dbraw/zinc/87/30/13/474873013.db2.gz RIJJWPRLTGNKHJ-UZLBHIALSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000317390466 474887086 /nfs/dbraw/zinc/88/70/86/474887086.db2.gz JWDQPILJNCLMRS-MRVWCRGKSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000317390466 474887100 /nfs/dbraw/zinc/88/71/00/474887100.db2.gz JWDQPILJNCLMRS-MRVWCRGKSA-N 1 3 347.286 2.805 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000339059750 474890794 /nfs/dbraw/zinc/89/07/94/474890794.db2.gz OUCYNAGYFUZHSA-LAUBAEHRSA-N 1 3 344.547 2.971 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000339059750 474890798 /nfs/dbraw/zinc/89/07/98/474890798.db2.gz OUCYNAGYFUZHSA-LAUBAEHRSA-N 1 3 344.547 2.971 20 0 EFADHO Oc1cccc2c1CCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000285112523 474895629 /nfs/dbraw/zinc/89/56/29/474895629.db2.gz KUOBQMNPJSEYQT-NSHGMRRFSA-N 1 3 330.472 2.737 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)COC(C)C)cc2)CC1 ZINC000337325318 474897130 /nfs/dbraw/zinc/89/71/30/474897130.db2.gz BTLXVEYBOUCVKV-SFHVURJKSA-N 1 3 333.520 2.727 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCN(C)CCN(C)C)CCN1Cc1ccccc1 ZINC000623087131 480132620 /nfs/dbraw/zinc/13/26/20/480132620.db2.gz BAZBHALMIVTDBY-CTNGQTDRSA-N 1 3 346.563 2.513 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000339071055 474900558 /nfs/dbraw/zinc/90/05/58/474900558.db2.gz PTJVMRHWCRQCFH-GJZGRUSLSA-N 1 3 342.409 3.119 20 0 EFADHO FC(F)(F)c1ccc(NCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000339071055 474900562 /nfs/dbraw/zinc/90/05/62/474900562.db2.gz PTJVMRHWCRQCFH-GJZGRUSLSA-N 1 3 342.409 3.119 20 0 EFADHO CCC[C@@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268332904 474927876 /nfs/dbraw/zinc/92/78/76/474927876.db2.gz IZBSGWWOMXOXGD-HXUWFJFHSA-N 1 3 333.520 2.858 20 0 EFADHO CN1CC=C(C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000285213694 474931223 /nfs/dbraw/zinc/93/12/23/474931223.db2.gz OOKKVIZVCQUBBL-SFHVURJKSA-N 1 3 343.471 2.891 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337355714 474931490 /nfs/dbraw/zinc/93/14/90/474931490.db2.gz AYXSNYRAQXBTGW-INIZCTEOSA-N 1 3 348.491 2.623 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@@H]21 ZINC000322500038 474939463 /nfs/dbraw/zinc/93/94/63/474939463.db2.gz DGZOJLASWWDSNS-MELADBBJSA-N 1 3 332.473 2.790 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000337366986 474943440 /nfs/dbraw/zinc/94/34/40/474943440.db2.gz LTOOQFLAGQXYTM-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCC[C@@H]1C ZINC000337388921 474967495 /nfs/dbraw/zinc/96/74/95/474967495.db2.gz YJVYWOBPZGHZTR-LSDHHAIUSA-N 1 3 338.540 2.858 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261597658 474986596 /nfs/dbraw/zinc/98/65/96/474986596.db2.gz AEHNKHBSAHEIQN-QAPCUYQASA-N 1 3 349.906 2.729 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc(OC)c1OC ZINC000261597680 474987123 /nfs/dbraw/zinc/98/71/23/474987123.db2.gz AFBYPWKDMKSCCU-INIZCTEOSA-N 1 3 334.460 2.676 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000325387678 474987653 /nfs/dbraw/zinc/98/76/53/474987653.db2.gz YSVFTNXTADSMKF-GDBMZVCRSA-N 1 3 333.476 2.721 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cn[nH]c1 ZINC000285366458 474991394 /nfs/dbraw/zinc/99/13/94/474991394.db2.gz VUGRAYDNJXSWGF-QGZVFWFLSA-N 1 3 327.476 2.663 20 0 EFADHO [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1c1ccccc1 ZINC000261609519 474993291 /nfs/dbraw/zinc/99/32/91/474993291.db2.gz BSDJBRZIAKVHFB-LEWJYISDSA-N 1 3 349.478 2.849 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)c2cccc3c2CCNC3)([NH+](C)C)C1 ZINC000325837175 474994232 /nfs/dbraw/zinc/99/42/32/474994232.db2.gz VPILQWUAYNMISC-FOIQADDNSA-N 1 3 329.488 2.573 20 0 EFADHO C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[C@H]([NH3+])c1ccccc1 ZINC000261628041 475001688 /nfs/dbraw/zinc/00/16/88/475001688.db2.gz HAUXDKZCTSIXAZ-IPELMVKDSA-N 1 3 325.456 2.742 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261638132 475004946 /nfs/dbraw/zinc/00/49/46/475004946.db2.gz ICGVSHWVKGSKKR-RVKKMQEKSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000341135729 475014565 /nfs/dbraw/zinc/01/45/65/475014565.db2.gz HMQHCYQDFVEJRL-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000341135729 475014573 /nfs/dbraw/zinc/01/45/73/475014573.db2.gz HMQHCYQDFVEJRL-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000261667382 475017151 /nfs/dbraw/zinc/01/71/51/475017151.db2.gz LGGKZPQYTTVPQP-QFBILLFUSA-N 1 3 329.488 2.799 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(CC)CCC[NH2+]3)c(C)c2)CC1 ZINC000327153727 475018029 /nfs/dbraw/zinc/01/80/29/475018029.db2.gz QDUCLGGEWYAPME-HXUWFJFHSA-N 1 3 344.503 2.608 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)c2cccc3c2CCNC3)c1 ZINC000328257266 475026894 /nfs/dbraw/zinc/02/68/94/475026894.db2.gz DFLPBRJCRDGGMM-UHFFFAOYSA-N 1 3 339.439 2.525 20 0 EFADHO C[C@H](c1ccccc1Cl)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261707395 475032591 /nfs/dbraw/zinc/03/25/91/475032591.db2.gz PGSCXHUWSQRXAZ-RKVPGOIHSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@H](c1ccccc1Cl)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261707397 475033152 /nfs/dbraw/zinc/03/31/52/475033152.db2.gz PGSCXHUWSQRXAZ-RVKKMQEKSA-N 1 3 349.906 2.981 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)ccc1-n1cncn1 ZINC000261728593 475041504 /nfs/dbraw/zinc/04/15/04/475041504.db2.gz OBTDMFABXXSLEP-UXHICEINSA-N 1 3 347.466 2.750 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H](CN)[C@H](c3ccccc3)C2)ccc1-n1cncn1 ZINC000261728593 475041517 /nfs/dbraw/zinc/04/15/17/475041517.db2.gz OBTDMFABXXSLEP-UXHICEINSA-N 1 3 347.466 2.750 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000341357689 475044499 /nfs/dbraw/zinc/04/44/99/475044499.db2.gz BESRUZWXBCXGOL-MSOLQXFVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261771846 475056908 /nfs/dbraw/zinc/05/69/08/475056908.db2.gz ZEVMFAZUFAESLP-IRXDYDNUSA-N 1 3 331.504 2.980 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339227908 475057581 /nfs/dbraw/zinc/05/75/81/475057581.db2.gz FACHIDLGORVRLI-LJQANCHMSA-N 1 3 329.488 2.631 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294337827 475066792 /nfs/dbraw/zinc/06/67/92/475066792.db2.gz YERPRXLUEUWMQS-INIZCTEOSA-N 1 3 346.475 2.649 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294337832 475067090 /nfs/dbraw/zinc/06/70/90/475067090.db2.gz YERPRXLUEUWMQS-MRXNPFEDSA-N 1 3 346.475 2.649 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000337500824 475073595 /nfs/dbraw/zinc/07/35/95/475073595.db2.gz KGORBIGRYCXVRT-UHFFFAOYSA-N 1 3 346.519 2.668 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000339247406 475079602 /nfs/dbraw/zinc/07/96/02/475079602.db2.gz OYJGBGWAJMISEA-GOSISDBHSA-N 1 3 329.488 2.814 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261839222 475081626 /nfs/dbraw/zinc/08/16/26/475081626.db2.gz UWCQOIRGPACNMV-GOEBONIOSA-N 1 3 330.476 2.649 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1 ZINC000345318045 475090736 /nfs/dbraw/zinc/09/07/36/475090736.db2.gz LRYMVVFWFMCQAJ-QFBILLFUSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261873225 475093755 /nfs/dbraw/zinc/09/37/55/475093755.db2.gz YDIBHCGJARPJCG-NXWXRZEISA-N 1 3 329.488 2.531 20 0 EFADHO Cc1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000261891457 475102256 /nfs/dbraw/zinc/10/22/56/475102256.db2.gz TYNWPHKXICCHCG-QGZVFWFLSA-N 1 3 345.487 2.798 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000268982000 475109719 /nfs/dbraw/zinc/10/97/19/475109719.db2.gz DBDFZRGQAFCVLQ-GUXCAODWSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1cccc(OCCN(C)C)c1 ZINC000268981996 475109871 /nfs/dbraw/zinc/10/98/71/475109871.db2.gz DBDFZRGQAFCVLQ-FTRWYGJKSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@@H](Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000281196953 475110826 /nfs/dbraw/zinc/11/08/26/475110826.db2.gz JXJJSUHPHZSZES-BBRMVZONSA-N 1 3 330.394 2.683 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)ccc2O1 ZINC000268991171 475115619 /nfs/dbraw/zinc/11/56/19/475115619.db2.gz WAIRQKYWVCRMJB-RBUKOAKNSA-N 1 3 344.499 2.868 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H](c1ccccc1)N(C)C ZINC000287365049 475115854 /nfs/dbraw/zinc/11/58/54/475115854.db2.gz QPGFHCOXRFMYIO-AITUJVMLSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H](c1ccccc1)N(C)C ZINC000287365049 475115862 /nfs/dbraw/zinc/11/58/62/475115862.db2.gz QPGFHCOXRFMYIO-AITUJVMLSA-N 1 3 344.503 2.604 20 0 EFADHO CCOc1ccc(Cl)cc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000269000133 475119885 /nfs/dbraw/zinc/11/98/85/475119885.db2.gz OWXRWYPURHCYPK-CYBMUJFWSA-N 1 3 326.868 2.846 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000287386238 475124623 /nfs/dbraw/zinc/12/46/23/475124623.db2.gz VCBHIDAYXSZIQB-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000287386235 475124888 /nfs/dbraw/zinc/12/48/88/475124888.db2.gz VCBHIDAYXSZIQB-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO CNC(=O)C1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000269020547 475129877 /nfs/dbraw/zinc/12/98/77/475129877.db2.gz PRQQQLSSOSKKSQ-KLHKWILBSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000261991130 475138944 /nfs/dbraw/zinc/13/89/44/475138944.db2.gz MTNBYSYAOYINDH-DYESRHJHSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H](C(=O)N1CC[C@](C)(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000261991132 475139676 /nfs/dbraw/zinc/13/96/76/475139676.db2.gz MTNBYSYAOYINDH-LAUBAEHRSA-N 1 3 343.515 2.527 20 0 EFADHO CCOc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000337578729 475149091 /nfs/dbraw/zinc/14/90/91/475149091.db2.gz LNIHDFOBBPNNPS-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CCOc1cccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000337578729 475149097 /nfs/dbraw/zinc/14/90/97/475149097.db2.gz LNIHDFOBBPNNPS-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CCn1c(C)cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000337587973 475158537 /nfs/dbraw/zinc/15/85/37/475158537.db2.gz UOGREDUZEVGTBH-SFHVURJKSA-N 1 3 348.535 2.613 20 0 EFADHO CCn1c(C)cc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1C ZINC000337587973 475158546 /nfs/dbraw/zinc/15/85/46/475158546.db2.gz UOGREDUZEVGTBH-SFHVURJKSA-N 1 3 348.535 2.613 20 0 EFADHO CCn1c(C)cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000337587970 475158678 /nfs/dbraw/zinc/15/86/78/475158678.db2.gz UOGREDUZEVGTBH-GOSISDBHSA-N 1 3 348.535 2.613 20 0 EFADHO CCn1c(C)cc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1C ZINC000337587970 475158690 /nfs/dbraw/zinc/15/86/90/475158690.db2.gz UOGREDUZEVGTBH-GOSISDBHSA-N 1 3 348.535 2.613 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OC ZINC000295996008 475158936 /nfs/dbraw/zinc/15/89/36/475158936.db2.gz PZGVCLAUQRLSJZ-WWTUQBGBSA-N 1 3 334.460 2.988 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000269080742 475164197 /nfs/dbraw/zinc/16/41/97/475164197.db2.gz ZPCRBGAACVTDFB-MRXNPFEDSA-N 1 3 325.456 2.856 20 0 EFADHO C[C@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Cl)c1 ZINC000262118890 475176478 /nfs/dbraw/zinc/17/64/78/475176478.db2.gz XDNHXQXMIXLPQC-RHSMWYFYSA-N 1 3 337.895 2.763 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1csc2ccccc12 ZINC000262118840 475176980 /nfs/dbraw/zinc/17/69/80/475176980.db2.gz XCMGPQAPUSLZBD-OAHLLOKOSA-N 1 3 331.485 2.721 20 0 EFADHO CCN(Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000337607306 475178979 /nfs/dbraw/zinc/17/89/79/475178979.db2.gz VRSFKXGEHVXGLC-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000262125606 475179819 /nfs/dbraw/zinc/17/98/19/475179819.db2.gz LAGHZMGSBNSUOO-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341605440 475180251 /nfs/dbraw/zinc/18/02/51/475180251.db2.gz KCRGZLSUKQPPKD-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262154086 475187318 /nfs/dbraw/zinc/18/73/18/475187318.db2.gz ZEFLCRFVBRDTHH-SNBYJETDSA-N 1 3 343.515 2.777 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@H]21 ZINC000262174704 475191192 /nfs/dbraw/zinc/19/11/92/475191192.db2.gz VRQKJXOXWNCVRU-GSEOLPGOSA-N 1 3 330.472 2.804 20 0 EFADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000262215265 475200861 /nfs/dbraw/zinc/20/08/61/475200861.db2.gz MDEBZNGQSWIEEX-HBMCJLEFSA-N 1 3 349.478 2.604 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341651367 475206795 /nfs/dbraw/zinc/20/67/95/475206795.db2.gz ZRWTXMNUKCOYAK-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341651367 475206799 /nfs/dbraw/zinc/20/67/99/475206799.db2.gz ZRWTXMNUKCOYAK-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])N(C)C)cc1 ZINC000262254284 475208988 /nfs/dbraw/zinc/20/89/88/475208988.db2.gz IWLZWSNTVPMTAF-LKXUXUIPSA-N 1 3 343.515 2.868 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341658704 475209203 /nfs/dbraw/zinc/20/92/03/475209203.db2.gz WMXYIXUNMCNVJZ-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341658704 475209207 /nfs/dbraw/zinc/20/92/07/475209207.db2.gz WMXYIXUNMCNVJZ-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000262288427 475214960 /nfs/dbraw/zinc/21/49/60/475214960.db2.gz GIIOXRDSHZROLP-PKOBYXMFSA-N 1 3 335.492 2.712 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cc3ccccc3o2)C1)[C@@H]1CCC[NH2+]1 ZINC000262310588 475217912 /nfs/dbraw/zinc/21/79/12/475217912.db2.gz YWQMBBGGVBBVSJ-YJBOKZPZSA-N 1 3 341.455 2.513 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339442113 475218931 /nfs/dbraw/zinc/21/89/31/475218931.db2.gz UZCFMXREPBADDV-HXUWFJFHSA-N 1 3 345.487 2.832 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339442113 475218932 /nfs/dbraw/zinc/21/89/32/475218932.db2.gz UZCFMXREPBADDV-HXUWFJFHSA-N 1 3 345.487 2.832 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000262339816 475222112 /nfs/dbraw/zinc/22/21/12/475222112.db2.gz SQWHTTKSVCJOEX-JOUKPKRSSA-N 1 3 345.487 2.719 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296215392 475226138 /nfs/dbraw/zinc/22/61/38/475226138.db2.gz BRSVCFUMBKAKHS-IAGOWNOFSA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296215392 475226142 /nfs/dbraw/zinc/22/61/42/475226142.db2.gz BRSVCFUMBKAKHS-IAGOWNOFSA-N 1 3 348.487 2.729 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354533421 475226694 /nfs/dbraw/zinc/22/66/94/475226694.db2.gz CWNQZYNZASKYHO-DOTOQJQBSA-N 1 3 346.475 2.529 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354533421 475226698 /nfs/dbraw/zinc/22/66/98/475226698.db2.gz CWNQZYNZASKYHO-DOTOQJQBSA-N 1 3 346.475 2.529 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccc1OCCN1CCCC1 ZINC000262428909 475240059 /nfs/dbraw/zinc/24/00/59/475240059.db2.gz RIRLNZWWGLCEPO-IRXDYDNUSA-N 1 3 345.487 2.796 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000262437636 475240620 /nfs/dbraw/zinc/24/06/20/475240620.db2.gz GMJQEGSTKOSHRW-ZKYQVNSYSA-N 1 3 342.270 2.991 20 0 EFADHO CCC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000361174383 475244392 /nfs/dbraw/zinc/24/43/92/475244392.db2.gz ABLSJYBTXFFUPZ-IEBWSBKVSA-N 1 3 347.503 2.713 20 0 EFADHO CCC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000361174383 475244399 /nfs/dbraw/zinc/24/43/99/475244399.db2.gz ABLSJYBTXFFUPZ-IEBWSBKVSA-N 1 3 347.503 2.713 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000296294613 475257291 /nfs/dbraw/zinc/25/72/91/475257291.db2.gz FTGJXJWTRYKUGM-CVEARBPZSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000296294613 475257299 /nfs/dbraw/zinc/25/72/99/475257299.db2.gz FTGJXJWTRYKUGM-CVEARBPZSA-N 1 3 329.488 2.675 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000339503973 475259554 /nfs/dbraw/zinc/25/95/54/475259554.db2.gz KBTGWGLSHWCTEJ-UHFFFAOYSA-N 1 3 336.524 2.580 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357925479 475266644 /nfs/dbraw/zinc/26/66/44/475266644.db2.gz VRBYGHAGZZTURN-YQVWRLOYSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357925479 475266650 /nfs/dbraw/zinc/26/66/50/475266650.db2.gz VRBYGHAGZZTURN-YQVWRLOYSA-N 1 3 346.519 2.535 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cccnc1N ZINC000296325868 475269848 /nfs/dbraw/zinc/26/98/48/475269848.db2.gz OSTIKBLFUDLVNZ-UHFFFAOYSA-N 1 3 325.460 2.797 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358011319 475332190 /nfs/dbraw/zinc/33/21/90/475332190.db2.gz ZHHUYZMFDQEOTD-CTNGQTDRSA-N 1 3 344.547 2.519 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000339551069 475299267 /nfs/dbraw/zinc/29/92/67/475299267.db2.gz ADZYJHLOJAFJBP-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358011325 475332740 /nfs/dbraw/zinc/33/27/40/475332740.db2.gz ZHHUYZMFDQEOTD-TZIWHRDSSA-N 1 3 344.547 2.519 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357976482 475305436 /nfs/dbraw/zinc/30/54/36/475305436.db2.gz QDWVPCNHLYMELT-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000357976482 475305443 /nfs/dbraw/zinc/30/54/43/475305443.db2.gz QDWVPCNHLYMELT-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO CSC1c2cc(-c3noc([C@@H]4C[N@H+](C)C[C@@H]4C)n3)ccc2NC1=O ZINC000361254370 475306139 /nfs/dbraw/zinc/30/61/39/475306139.db2.gz XUKZEIYTVGGVFL-BHYNMZESSA-N 1 3 344.440 2.758 20 0 EFADHO CSC1c2cc(-c3noc([C@@H]4C[N@@H+](C)C[C@@H]4C)n3)ccc2NC1=O ZINC000361254370 475306146 /nfs/dbraw/zinc/30/61/46/475306146.db2.gz XUKZEIYTVGGVFL-BHYNMZESSA-N 1 3 344.440 2.758 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCNC(=O)CC1 ZINC000296437463 475315043 /nfs/dbraw/zinc/31/50/43/475315043.db2.gz YXMQNNTZGUCKDR-GOSISDBHSA-N 1 3 344.503 2.536 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CCNC(=O)CC1 ZINC000296437463 475315048 /nfs/dbraw/zinc/31/50/48/475315048.db2.gz YXMQNNTZGUCKDR-GOSISDBHSA-N 1 3 344.503 2.536 20 0 EFADHO CC(C)CC[C@@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361275572 475320208 /nfs/dbraw/zinc/32/02/08/475320208.db2.gz XQGWSFONUKCJLV-WSTZPKSXSA-N 1 3 340.552 2.995 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000296451296 475321999 /nfs/dbraw/zinc/32/19/99/475321999.db2.gz OGOYPJQGCDXOLQ-IAGOWNOFSA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000296451296 475322003 /nfs/dbraw/zinc/32/20/03/475322003.db2.gz OGOYPJQGCDXOLQ-IAGOWNOFSA-N 1 3 348.487 2.586 20 0 EFADHO CCN1CCC([NH2+]Cc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341817696 475327054 /nfs/dbraw/zinc/32/70/54/475327054.db2.gz IBUNEUGNIIMARS-ROUUACIJSA-N 1 3 345.531 2.870 20 0 EFADHO CC[NH+]1CCC(NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341817696 475327058 /nfs/dbraw/zinc/32/70/58/475327058.db2.gz IBUNEUGNIIMARS-ROUUACIJSA-N 1 3 345.531 2.870 20 0 EFADHO CC[NH+](CC)CCN(CCN1CCCOCC1)Cc1ccccc1 ZINC000361309197 475342773 /nfs/dbraw/zinc/34/27/73/475342773.db2.gz NYFVDHJCUHFZDB-UHFFFAOYSA-N 1 3 333.520 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705532 475348689 /nfs/dbraw/zinc/34/86/89/475348689.db2.gz LKNGOVQLOQKTMP-RDGPPVDQSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705532 475348698 /nfs/dbraw/zinc/34/86/98/475348698.db2.gz LKNGOVQLOQKTMP-RDGPPVDQSA-N 1 3 337.552 2.980 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000331649347 475363440 /nfs/dbraw/zinc/36/34/40/475363440.db2.gz WHOOOWKQWQGSSF-CRAIPNDOSA-N 1 3 331.460 2.997 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000361336830 475365322 /nfs/dbraw/zinc/36/53/22/475365322.db2.gz WEPLKOFIKDYRKQ-BEFAXECRSA-N 1 3 348.535 2.565 20 0 EFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000361346723 475373784 /nfs/dbraw/zinc/37/37/84/475373784.db2.gz QDMXCTHGPBRUNY-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345696466 475374698 /nfs/dbraw/zinc/37/46/98/475374698.db2.gz QVCQMJUMRWCCCM-IUODEOHRSA-N 1 3 325.403 2.840 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345696466 475374701 /nfs/dbraw/zinc/37/47/01/475374701.db2.gz QVCQMJUMRWCCCM-IUODEOHRSA-N 1 3 325.403 2.840 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361354254 475379872 /nfs/dbraw/zinc/37/98/72/475379872.db2.gz JUIUTCUDTYRIMD-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)Cn2ccnc2C)[C@@H](C)C1 ZINC000358081779 475384421 /nfs/dbraw/zinc/38/44/21/475384421.db2.gz IHBBEOMIYBODLQ-AOIWGVFYSA-N 1 3 336.524 2.554 20 0 EFADHO CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC ZINC000341894804 475389596 /nfs/dbraw/zinc/38/95/96/475389596.db2.gz YIKCHNUWPKZMNK-IIAWOOMASA-N 1 3 336.476 2.921 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000361367959 475391242 /nfs/dbraw/zinc/39/12/42/475391242.db2.gz FIQREJZBOQUAPG-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)CC(F)F)CCCC1)c1ccccc1 ZINC000345718613 475391600 /nfs/dbraw/zinc/39/16/00/475391600.db2.gz SVPNQILAMIUSKG-DZGCQCFKSA-N 1 3 339.430 2.749 20 0 EFADHO CCC(CC)(CNC(=O)[C@H](N)CC(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000345719396 475392767 /nfs/dbraw/zinc/39/27/67/475392767.db2.gz PSUMEFLFPHBYLP-UKRRQHHQSA-N 1 3 341.446 2.995 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358098049 475397572 /nfs/dbraw/zinc/39/75/72/475397572.db2.gz OMQIXBFFBINZCI-SJLPKXTDSA-N 1 3 336.524 2.591 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358098049 475397582 /nfs/dbraw/zinc/39/75/82/475397582.db2.gz OMQIXBFFBINZCI-SJLPKXTDSA-N 1 3 336.524 2.591 20 0 EFADHO Cc1nc(COc2ccc(CN3CCCC[C@H]3CC[NH3+])cc2)no1 ZINC000352545530 475399729 /nfs/dbraw/zinc/39/97/29/475399729.db2.gz JWPQPNUCQVCSCM-INIZCTEOSA-N 1 3 330.432 2.660 20 0 EFADHO Cn1c2ccc(CN(CCC[NH3+])CC3CCCC3)cc2sc1=O ZINC000352544688 475399893 /nfs/dbraw/zinc/39/98/93/475399893.db2.gz CJMQMPUNEOYZRJ-UHFFFAOYSA-N 1 3 333.501 2.941 20 0 EFADHO Cc1nc(COc2ccc(CN3CCCC[C@@H]3CC[NH3+])cc2)no1 ZINC000352545533 475400153 /nfs/dbraw/zinc/40/01/53/475400153.db2.gz JWPQPNUCQVCSCM-MRXNPFEDSA-N 1 3 330.432 2.660 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000341910256 475404714 /nfs/dbraw/zinc/40/47/14/475404714.db2.gz KXMQCSPTPHLKIO-SFHVURJKSA-N 1 3 344.565 2.645 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]C3CC(OC(C)(C)C)C3)cc2)CC1 ZINC000352553981 475408635 /nfs/dbraw/zinc/40/86/35/475408635.db2.gz FCYFYHRMKCFWIM-UHFFFAOYSA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000358134437 475429373 /nfs/dbraw/zinc/42/93/73/475429373.db2.gz JFJHENSNPTXZBL-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000358134437 475429381 /nfs/dbraw/zinc/42/93/81/475429381.db2.gz JFJHENSNPTXZBL-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000341937138 475429459 /nfs/dbraw/zinc/42/94/59/475429459.db2.gz IBAYFWWHIBDOHD-DLBZAZTESA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000352612555 475460208 /nfs/dbraw/zinc/46/02/08/475460208.db2.gz PJNBZSMIJMUYEC-UHFFFAOYSA-N 1 3 343.313 2.888 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000361431437 475446458 /nfs/dbraw/zinc/44/64/58/475446458.db2.gz DNKFESDDIBIFBL-SESVDKBCSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000361431437 475446461 /nfs/dbraw/zinc/44/64/61/475446461.db2.gz DNKFESDDIBIFBL-SESVDKBCSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CCC(C)CC1 ZINC000341954735 475446960 /nfs/dbraw/zinc/44/69/60/475446960.db2.gz MANMFKAEFCFOGM-IRXDYDNUSA-N 1 3 340.556 2.772 20 0 EFADHO FC(F)(F)c1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000296758776 475464407 /nfs/dbraw/zinc/46/44/07/475464407.db2.gz DCUJSZVSJFAZDX-UHFFFAOYSA-N 1 3 327.394 2.827 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000337993759 475489512 /nfs/dbraw/zinc/48/95/12/475489512.db2.gz SXHZUXDRJMTUKT-LSDHHAIUSA-N 1 3 326.431 2.722 20 0 EFADHO C[C@@H](CC[NH+]1CCC(N(C)CCCO)CC1)OCc1ccccc1 ZINC000354885640 475491484 /nfs/dbraw/zinc/49/14/84/475491484.db2.gz FRKPWDSICFLGBP-SFHVURJKSA-N 1 3 334.504 2.760 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352653238 475495091 /nfs/dbraw/zinc/49/50/91/475495091.db2.gz VKIGAKFXETYEOD-MSOLQXFVSA-N 1 3 344.565 2.690 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000352665953 475508244 /nfs/dbraw/zinc/50/82/44/475508244.db2.gz STGFWVHAIIDPEM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000352665953 475508249 /nfs/dbraw/zinc/50/82/49/475508249.db2.gz STGFWVHAIIDPEM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO NC(=O)[C@]1(O)CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000332126497 475522074 /nfs/dbraw/zinc/52/20/74/475522074.db2.gz MWKVKXXXVMYAKG-IBGZPJMESA-N 1 3 331.460 2.535 20 0 EFADHO N[C@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000332136192 475526698 /nfs/dbraw/zinc/52/66/98/475526698.db2.gz CXFOYQBYEIKQNY-DZGCQCFKSA-N 1 3 335.879 2.804 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000348256213 475531452 /nfs/dbraw/zinc/53/14/52/475531452.db2.gz VNEFBTXKUMSNBG-INIZCTEOSA-N 1 3 336.476 2.857 20 0 EFADHO CC[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263642 475541749 /nfs/dbraw/zinc/54/17/49/475541749.db2.gz XYSMFAKUWDLFGS-UXHICEINSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263642 475541755 /nfs/dbraw/zinc/54/17/55/475541755.db2.gz XYSMFAKUWDLFGS-UXHICEINSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938117 475542084 /nfs/dbraw/zinc/54/20/84/475542084.db2.gz NCVAPIDOJQIZBG-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938117 475542090 /nfs/dbraw/zinc/54/20/90/475542090.db2.gz NCVAPIDOJQIZBG-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000338049595 475544254 /nfs/dbraw/zinc/54/42/54/475544254.db2.gz YVTRTLZKEJROAE-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338049595 475544264 /nfs/dbraw/zinc/54/42/64/475544264.db2.gz YVTRTLZKEJROAE-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CCC(N2CCC([NH2+]C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000348270368 475546436 /nfs/dbraw/zinc/54/64/36/475546436.db2.gz XTVQWGBTCQJCMX-WIYYLYMNSA-N 1 3 327.516 2.938 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+](CC)CC ZINC000345982985 475548658 /nfs/dbraw/zinc/54/86/58/475548658.db2.gz WTMZDJXEYSCCRQ-OALUTQOASA-N 1 3 331.504 2.888 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@H]21 ZINC000342079103 475552105 /nfs/dbraw/zinc/55/21/05/475552105.db2.gz DPRYHAKXLQJGHR-ZFVVBOAOSA-N 1 3 333.863 2.505 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000348274651 475552617 /nfs/dbraw/zinc/55/26/17/475552617.db2.gz BLPGUKBZVAJUAB-QLFBSQMISA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000348274651 475552622 /nfs/dbraw/zinc/55/26/22/475552622.db2.gz BLPGUKBZVAJUAB-QLFBSQMISA-N 1 3 347.425 2.536 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]21 ZINC000342080657 475553338 /nfs/dbraw/zinc/55/33/38/475553338.db2.gz GUIZONOSFOGDNZ-NUEKZKHPSA-N 1 3 346.862 2.992 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000338063526 475558590 /nfs/dbraw/zinc/55/85/90/475558590.db2.gz BLVNPNKTMBDIDN-ZMMAXQRCSA-N 1 3 331.504 2.975 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000338063526 475558594 /nfs/dbraw/zinc/55/85/94/475558594.db2.gz BLVNPNKTMBDIDN-ZMMAXQRCSA-N 1 3 331.504 2.975 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000346178261 475567491 /nfs/dbraw/zinc/56/74/91/475567491.db2.gz FHTBRYCWASGNSW-XWSJACJDSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000346178261 475567501 /nfs/dbraw/zinc/56/75/01/475567501.db2.gz FHTBRYCWASGNSW-XWSJACJDSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)CC1 ZINC000339859825 475568057 /nfs/dbraw/zinc/56/80/57/475568057.db2.gz KRKVUKILVYQKGN-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1F ZINC000358311981 475580881 /nfs/dbraw/zinc/58/08/81/475580881.db2.gz AYWYEIBUYHGLFJ-DOPJRALCSA-N 1 3 336.451 2.863 20 0 EFADHO CC(C)(C)OC(=O)CC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348319415 475588197 /nfs/dbraw/zinc/58/81/97/475588197.db2.gz MIJOHETXXFFSFN-QZTJIDSGSA-N 1 3 330.472 2.782 20 0 EFADHO CCn1cccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000348355693 475614490 /nfs/dbraw/zinc/61/44/90/475614490.db2.gz LMYBUFFOBQKVQL-PXNSSMCTSA-N 1 3 339.483 2.868 20 0 EFADHO CC[C@@H]1CN(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000348359381 475616117 /nfs/dbraw/zinc/61/61/17/475616117.db2.gz SSMNTSTVJZTCRT-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000348359381 475616121 /nfs/dbraw/zinc/61/61/21/475616121.db2.gz SSMNTSTVJZTCRT-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000348359381 475616127 /nfs/dbraw/zinc/61/61/27/475616127.db2.gz SSMNTSTVJZTCRT-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000348370309 475624715 /nfs/dbraw/zinc/62/47/15/475624715.db2.gz FUPLYAZOIQVEKW-RBUKOAKNSA-N 1 3 346.519 2.771 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000348370309 475624720 /nfs/dbraw/zinc/62/47/20/475624720.db2.gz FUPLYAZOIQVEKW-RBUKOAKNSA-N 1 3 346.519 2.771 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000348373769 475626797 /nfs/dbraw/zinc/62/67/97/475626797.db2.gz JADJFBZADBQWNM-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000348373769 475626803 /nfs/dbraw/zinc/62/68/03/475626803.db2.gz JADJFBZADBQWNM-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000339944999 475630207 /nfs/dbraw/zinc/63/02/07/475630207.db2.gz MAMFMZYTSXNBMW-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000339944998 475630615 /nfs/dbraw/zinc/63/06/15/475630615.db2.gz MAMFMZYTSXNBMW-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342743946 475634637 /nfs/dbraw/zinc/63/46/37/475634637.db2.gz QMVXJYGYURDANY-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342743946 475634644 /nfs/dbraw/zinc/63/46/44/475634644.db2.gz QMVXJYGYURDANY-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(SC)s2)CC1 ZINC000352857349 475657667 /nfs/dbraw/zinc/65/76/67/475657667.db2.gz YOFJBGNYOBBYOM-UHFFFAOYSA-N 1 3 327.563 2.977 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358418744 475664049 /nfs/dbraw/zinc/66/40/49/475664049.db2.gz HLHJKAKOVWNQOT-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358418744 475664054 /nfs/dbraw/zinc/66/40/54/475664054.db2.gz HLHJKAKOVWNQOT-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000355116944 475677813 /nfs/dbraw/zinc/67/78/13/475677813.db2.gz YIWHDAVQFQYDQA-QFBILLFUSA-N 1 3 346.519 2.890 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000361710263 475687517 /nfs/dbraw/zinc/68/75/17/475687517.db2.gz GXIHZNDRIHLBBG-LJQANCHMSA-N 1 3 331.504 2.730 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361714029 475689875 /nfs/dbraw/zinc/68/98/75/475689875.db2.gz MEONWFYOBKHNNF-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361714029 475689884 /nfs/dbraw/zinc/68/98/84/475689884.db2.gz MEONWFYOBKHNNF-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338232111 475694856 /nfs/dbraw/zinc/69/48/56/475694856.db2.gz GBTSIFBQAQBBAY-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO COC(=O)C1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000297294735 475694869 /nfs/dbraw/zinc/69/48/69/475694869.db2.gz ASPHBWBRRSFGOL-UHFFFAOYSA-N 1 3 331.460 2.764 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353130528 475705247 /nfs/dbraw/zinc/70/52/47/475705247.db2.gz PHOZDMWIXPXNOG-XUVXKRRUSA-N 1 3 343.515 2.821 20 0 EFADHO CCN1CCN(c2ccccc2CN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000353134441 475707026 /nfs/dbraw/zinc/70/70/26/475707026.db2.gz HILCLKTWUUPFRO-UHFFFAOYSA-N 1 3 344.547 2.791 20 0 EFADHO CCc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000346624754 475710270 /nfs/dbraw/zinc/71/02/70/475710270.db2.gz RHKFQBCYPYUIKY-IBGZPJMESA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000346624754 475710275 /nfs/dbraw/zinc/71/02/75/475710275.db2.gz RHKFQBCYPYUIKY-IBGZPJMESA-N 1 3 331.504 2.737 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNCc1ccccc1N1CCN(CC)CC1 ZINC000353140499 475712757 /nfs/dbraw/zinc/71/27/57/475712757.db2.gz PCNJHMDBZAJJJB-FQEVSTJZSA-N 1 3 344.547 2.793 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNCc1ccccc1N1CCN(CC)CC1 ZINC000353140499 475712769 /nfs/dbraw/zinc/71/27/69/475712769.db2.gz PCNJHMDBZAJJJB-FQEVSTJZSA-N 1 3 344.547 2.793 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNCc1ccccc1N1CCN(CC)CC1 ZINC000353140500 475714040 /nfs/dbraw/zinc/71/40/40/475714040.db2.gz PCNJHMDBZAJJJB-HXUWFJFHSA-N 1 3 344.547 2.793 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNCc1ccccc1N1CCN(CC)CC1 ZINC000353140500 475714049 /nfs/dbraw/zinc/71/40/49/475714049.db2.gz PCNJHMDBZAJJJB-HXUWFJFHSA-N 1 3 344.547 2.793 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000361750796 475718704 /nfs/dbraw/zinc/71/87/04/475718704.db2.gz OWFNTMAPQQKKIE-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@@H]1C ZINC000361750796 475718712 /nfs/dbraw/zinc/71/87/12/475718712.db2.gz OWFNTMAPQQKKIE-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C ZINC000361750797 475719676 /nfs/dbraw/zinc/71/96/76/475719676.db2.gz OWFNTMAPQQKKIE-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(CN(C)C)c2)C[C@H]1C ZINC000361750797 475719683 /nfs/dbraw/zinc/71/96/83/475719683.db2.gz OWFNTMAPQQKKIE-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C[C@H]1C ZINC000361753060 475720858 /nfs/dbraw/zinc/72/08/58/475720858.db2.gz GHLFTNLWQLFLFW-MHORFTMASA-N 1 3 338.540 2.764 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C[C@H]1C ZINC000361753060 475720864 /nfs/dbraw/zinc/72/08/64/475720864.db2.gz GHLFTNLWQLFLFW-MHORFTMASA-N 1 3 338.540 2.764 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361756777 475725027 /nfs/dbraw/zinc/72/50/27/475725027.db2.gz WBDSQNKAAWBAPG-KEYYUXOJSA-N 1 3 339.505 2.582 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC000338261717 475725035 /nfs/dbraw/zinc/72/50/35/475725035.db2.gz URRUQHBGTODSKO-IEBWSBKVSA-N 1 3 344.503 2.607 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361756777 475725033 /nfs/dbraw/zinc/72/50/33/475725033.db2.gz WBDSQNKAAWBAPG-KEYYUXOJSA-N 1 3 339.505 2.582 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000346644682 475729119 /nfs/dbraw/zinc/72/91/19/475729119.db2.gz DOZIZVWCBKWEMJ-UHFFFAOYSA-N 1 3 332.473 2.535 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C2CC2)cc1 ZINC000358503033 475730219 /nfs/dbraw/zinc/73/02/19/475730219.db2.gz DLBVIYNLLISNLB-UHFFFAOYSA-N 1 3 341.499 2.562 20 0 EFADHO CN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@H]1CCCc2ccccc21 ZINC000358502456 475731475 /nfs/dbraw/zinc/73/14/75/475731475.db2.gz BUZMHUGOVMYKFJ-IBGZPJMESA-N 1 3 341.499 2.598 20 0 EFADHO CC(C)C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358502434 475731640 /nfs/dbraw/zinc/73/16/40/475731640.db2.gz BTQKZVFZBGAAQC-IBGZPJMESA-N 1 3 343.515 2.966 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000338270703 475733359 /nfs/dbraw/zinc/73/33/59/475733359.db2.gz OMFSQNBJWMDBAJ-SFHVURJKSA-N 1 3 331.504 2.876 20 0 EFADHO CCCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OC ZINC000346652071 475733692 /nfs/dbraw/zinc/73/36/92/475733692.db2.gz DMGYIKUPIMFVHO-UHFFFAOYSA-N 1 3 336.476 2.814 20 0 EFADHO Cc1ccc([C@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)C2CC2)cc1 ZINC000358507072 475734279 /nfs/dbraw/zinc/73/42/79/475734279.db2.gz MWUCCXNTKGYAOU-FQEVSTJZSA-N 1 3 341.499 2.638 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000338277730 475739413 /nfs/dbraw/zinc/73/94/13/475739413.db2.gz RJFFURSRKBHULD-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CSc1cccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515701 475739784 /nfs/dbraw/zinc/73/97/84/475739784.db2.gz NGIADQGBNQXKMH-CQSZACIVSA-N 1 3 333.501 2.811 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521170 475742101 /nfs/dbraw/zinc/74/21/01/475742101.db2.gz XELNAXWCEMYZOT-HOTGVXAUSA-N 1 3 347.528 2.876 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000348552936 475754427 /nfs/dbraw/zinc/75/44/27/475754427.db2.gz WEKDIIYTFJYQAZ-PMACEKPBSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000348552936 475754432 /nfs/dbraw/zinc/75/44/32/475754432.db2.gz WEKDIIYTFJYQAZ-PMACEKPBSA-N 1 3 331.504 2.564 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000355219092 475754980 /nfs/dbraw/zinc/75/49/80/475754980.db2.gz MATHUSBKQNXTBV-INIZCTEOSA-N 1 3 330.501 2.821 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000338293526 475756474 /nfs/dbraw/zinc/75/64/74/475756474.db2.gz INASGAUXLHDIOL-HKUYNNGSSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000338301770 475762294 /nfs/dbraw/zinc/76/22/94/475762294.db2.gz HJEWHJLRBUPRHS-ZWKOTPCHSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000338301770 475762301 /nfs/dbraw/zinc/76/23/01/475762301.db2.gz HJEWHJLRBUPRHS-ZWKOTPCHSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204729 475768602 /nfs/dbraw/zinc/76/86/02/475768602.db2.gz NOFRXYNVBXIZPT-ICSRJNTNSA-N 1 3 329.488 2.629 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204729 475768611 /nfs/dbraw/zinc/76/86/11/475768611.db2.gz NOFRXYNVBXIZPT-ICSRJNTNSA-N 1 3 329.488 2.629 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]3CCC[C@H]3[NH3+])c(C)c2)CC1 ZINC000340117149 475770899 /nfs/dbraw/zinc/77/08/99/475770899.db2.gz IGWKLJCRXPXRFK-SJLPKXTDSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000348635668 475790701 /nfs/dbraw/zinc/79/07/01/475790701.db2.gz OGORYXKAMBYLTA-UHFFFAOYSA-N 1 3 345.531 2.993 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000348637188 475793681 /nfs/dbraw/zinc/79/36/81/475793681.db2.gz RUSSYMZGIPDXCF-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000348637188 475793691 /nfs/dbraw/zinc/79/36/91/475793691.db2.gz RUSSYMZGIPDXCF-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCCCOC(C)(C)C)CC2)CC1 ZINC000355280197 475795844 /nfs/dbraw/zinc/79/58/44/475795844.db2.gz UXRZLCOOTCDUCM-UHFFFAOYSA-N 1 3 339.568 2.931 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000343136493 475799550 /nfs/dbraw/zinc/79/95/50/475799550.db2.gz ZPKLZARGNNTYJH-ZVDOUQERSA-N 1 3 345.531 2.770 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355321328 475825888 /nfs/dbraw/zinc/82/58/88/475825888.db2.gz PQKALPHCJJZWFM-FQEVSTJZSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355321328 475825892 /nfs/dbraw/zinc/82/58/92/475825892.db2.gz PQKALPHCJJZWFM-FQEVSTJZSA-N 1 3 345.531 2.945 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297628950 475835403 /nfs/dbraw/zinc/83/54/03/475835403.db2.gz JFRMGMJYGAQYHS-MRXNPFEDSA-N 1 3 336.911 2.728 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000297628376 475835946 /nfs/dbraw/zinc/83/59/46/475835946.db2.gz LWSVQPRXDLLXLB-AUUYWEPGSA-N 1 3 329.419 2.901 20 0 EFADHO CCOC(=O)N[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)CC(C)C ZINC000297646376 475843097 /nfs/dbraw/zinc/84/30/97/475843097.db2.gz MZUMIOIIJAWSQT-KRWDZBQOSA-N 1 3 348.491 2.801 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000340195283 475848719 /nfs/dbraw/zinc/84/87/19/475848719.db2.gz JJJGBAZOQVHGBP-YLJYHZDGSA-N 1 3 343.515 2.575 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)[C@H](C)C1 ZINC000361897806 475851356 /nfs/dbraw/zinc/85/13/56/475851356.db2.gz WHDHMKSZXGDKEK-VQIMIIECSA-N 1 3 336.524 2.999 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353305968 475854253 /nfs/dbraw/zinc/85/42/53/475854253.db2.gz TYJCFEILXYICSC-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353305968 475854260 /nfs/dbraw/zinc/85/42/60/475854260.db2.gz TYJCFEILXYICSC-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353305966 475854723 /nfs/dbraw/zinc/85/47/23/475854723.db2.gz TYJCFEILXYICSC-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353305966 475854732 /nfs/dbraw/zinc/85/47/32/475854732.db2.gz TYJCFEILXYICSC-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353312647 475859630 /nfs/dbraw/zinc/85/96/30/475859630.db2.gz JOENWUAUXSQWRT-RTBURBONSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000355359767 475866057 /nfs/dbraw/zinc/86/60/57/475866057.db2.gz FOIPQFLEGRMRTC-AEFFLSMTSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000358701908 475869206 /nfs/dbraw/zinc/86/92/06/475869206.db2.gz ZEJPBPVPSFZGJT-AIANPOQGSA-N 1 3 335.517 2.635 20 0 EFADHO CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CCN(c3ccncc3)CC1)O2 ZINC000297752308 475876453 /nfs/dbraw/zinc/87/64/53/475876453.db2.gz UJUKRWRVAPRYGY-NQKNOSNGSA-N 1 3 345.487 2.962 20 0 EFADHO N[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)c2ccccc21 ZINC000333243626 475881898 /nfs/dbraw/zinc/88/18/98/475881898.db2.gz FIHZBDBNEVOKDP-OALUTQOASA-N 1 3 329.488 2.756 20 0 EFADHO CN(C)C1(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340243448 475884728 /nfs/dbraw/zinc/88/47/28/475884728.db2.gz PQOABIBWVKDPJB-RBUKOAKNSA-N 1 3 331.504 2.522 20 0 EFADHO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297829316 475899634 /nfs/dbraw/zinc/89/96/34/475899634.db2.gz ZOUDWYMALGNXAZ-CQSZACIVSA-N 1 3 334.464 2.553 20 0 EFADHO CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000340274075 475907672 /nfs/dbraw/zinc/90/76/72/475907672.db2.gz AKELQNDJMFBLJG-ZGXWSNOMSA-N 1 3 337.552 2.823 20 0 EFADHO CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000340274075 475907676 /nfs/dbraw/zinc/90/76/76/475907676.db2.gz AKELQNDJMFBLJG-ZGXWSNOMSA-N 1 3 337.552 2.823 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340276159 475909237 /nfs/dbraw/zinc/90/92/37/475909237.db2.gz HUEIEJVRWZRNFJ-IYBDPMFKSA-N 1 3 337.533 2.897 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000355408227 475910303 /nfs/dbraw/zinc/91/03/03/475910303.db2.gz JICUEKWJMCSRAG-IRXDYDNUSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000355408227 475910306 /nfs/dbraw/zinc/91/03/06/475910306.db2.gz JICUEKWJMCSRAG-IRXDYDNUSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000355408227 475910308 /nfs/dbraw/zinc/91/03/08/475910308.db2.gz JICUEKWJMCSRAG-IRXDYDNUSA-N 1 3 343.515 2.812 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000355410637 475913108 /nfs/dbraw/zinc/91/31/08/475913108.db2.gz HXVQTIDNZBBMLM-ILZDJORESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000297877860 475913578 /nfs/dbraw/zinc/91/35/78/475913578.db2.gz UWZHQBIWQLUADI-MRXNPFEDSA-N 1 3 341.455 2.981 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000355413208 475915646 /nfs/dbraw/zinc/91/56/46/475915646.db2.gz PWIAKIKXCXLSOC-ZHALLVOQSA-N 1 3 329.488 2.813 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2ccc(OCCO)cc2)C[C@H]1c1ccccc1 ZINC000340283909 475916226 /nfs/dbraw/zinc/91/62/26/475916226.db2.gz CQDLXUMSTAAVDB-FPOVZHCZSA-N 1 3 340.467 2.983 20 0 EFADHO C[N@H+]1CC[C@H](NCc2ccc(OCCO)cc2)C[C@H]1c1ccccc1 ZINC000340283909 475916233 /nfs/dbraw/zinc/91/62/33/475916233.db2.gz CQDLXUMSTAAVDB-FPOVZHCZSA-N 1 3 340.467 2.983 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCO1 ZINC000297956585 475936593 /nfs/dbraw/zinc/93/65/93/475936593.db2.gz WDIZCPULSPIPAN-WSTZPKSXSA-N 1 3 343.515 2.828 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)CCO1 ZINC000297956585 475936603 /nfs/dbraw/zinc/93/66/03/475936603.db2.gz WDIZCPULSPIPAN-WSTZPKSXSA-N 1 3 343.515 2.828 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333459638 475942978 /nfs/dbraw/zinc/94/29/78/475942978.db2.gz GEOTVMDQRIJXAB-LPHOPBHVSA-N 1 3 342.487 2.934 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333459638 475942983 /nfs/dbraw/zinc/94/29/83/475942983.db2.gz GEOTVMDQRIJXAB-LPHOPBHVSA-N 1 3 342.487 2.934 20 0 EFADHO CCN(CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1)C1CC1 ZINC000338478544 475943837 /nfs/dbraw/zinc/94/38/37/475943837.db2.gz UUBRZNKRNJLXML-SFHVURJKSA-N 1 3 338.540 2.671 20 0 EFADHO O=C1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407482 475944290 /nfs/dbraw/zinc/94/42/90/475944290.db2.gz WMAZDZFPZXGJBZ-LWYYNNOASA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407482 475944297 /nfs/dbraw/zinc/94/42/97/475944297.db2.gz WMAZDZFPZXGJBZ-LWYYNNOASA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407482 475944302 /nfs/dbraw/zinc/94/43/02/475944302.db2.gz WMAZDZFPZXGJBZ-LWYYNNOASA-N 1 3 341.499 2.545 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000346895619 475945870 /nfs/dbraw/zinc/94/58/70/475945870.db2.gz YXCURIKTIHFAEH-QKLQHJQFSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000346895619 475945879 /nfs/dbraw/zinc/94/58/79/475945879.db2.gz YXCURIKTIHFAEH-QKLQHJQFSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000346895620 475946467 /nfs/dbraw/zinc/94/64/67/475946467.db2.gz YXCURIKTIHFAEH-SQGPQFPESA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000346895620 475946475 /nfs/dbraw/zinc/94/64/75/475946475.db2.gz YXCURIKTIHFAEH-SQGPQFPESA-N 1 3 344.503 2.860 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C12CCCCC2 ZINC000362033255 475952559 /nfs/dbraw/zinc/95/25/59/475952559.db2.gz SXKQRNLWWOCAOR-YZGWKJHDSA-N 1 3 349.563 2.872 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353419896 475952544 /nfs/dbraw/zinc/95/25/44/475952544.db2.gz DHOVJUPDABYHSD-XWSJACJDSA-N 1 3 333.520 2.630 20 0 EFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353419896 475952552 /nfs/dbraw/zinc/95/25/52/475952552.db2.gz DHOVJUPDABYHSD-XWSJACJDSA-N 1 3 333.520 2.630 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362034282 475952668 /nfs/dbraw/zinc/95/26/68/475952668.db2.gz XQADYXCHOFJXEZ-BHIYHBOVSA-N 1 3 337.552 2.728 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000338498750 475958137 /nfs/dbraw/zinc/95/81/37/475958137.db2.gz WYIQRQPCYPIRMI-MJGOQNOKSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)N1CCc2ccccc2C1 ZINC000353432326 475960849 /nfs/dbraw/zinc/96/08/49/475960849.db2.gz SALWLYHTMBGNML-VAMGGRTRSA-N 1 3 343.515 2.574 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353446502 475973826 /nfs/dbraw/zinc/97/38/26/475973826.db2.gz JYDXJJJNHFGINH-UXPWSPDFSA-N 1 3 343.515 2.962 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355485608 475977810 /nfs/dbraw/zinc/97/78/10/475977810.db2.gz ZASNAGWZARDXLW-QGZVFWFLSA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355485608 475977817 /nfs/dbraw/zinc/97/78/17/475977817.db2.gz ZASNAGWZARDXLW-QGZVFWFLSA-N 1 3 346.519 2.762 20 0 EFADHO CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362077839 475981822 /nfs/dbraw/zinc/98/18/22/475981822.db2.gz KEPUTWOQSAAIHO-HKUYNNGSSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362077839 475981830 /nfs/dbraw/zinc/98/18/30/475981830.db2.gz KEPUTWOQSAAIHO-HKUYNNGSSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362077842 475982790 /nfs/dbraw/zinc/98/27/90/475982790.db2.gz KEPUTWOQSAAIHO-PKOBYXMFSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000362077842 475982794 /nfs/dbraw/zinc/98/27/94/475982794.db2.gz KEPUTWOQSAAIHO-PKOBYXMFSA-N 1 3 331.504 2.543 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1)[NH+](C)C ZINC000353457110 475985565 /nfs/dbraw/zinc/98/55/65/475985565.db2.gz QQYWXZYLAZCQBL-BXWFABGCSA-N 1 3 344.503 2.522 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000353458915 475986523 /nfs/dbraw/zinc/98/65/23/475986523.db2.gz KTRCAPRVOSKTJH-ZWKOTPCHSA-N 1 3 349.544 2.710 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000353466670 475992033 /nfs/dbraw/zinc/99/20/33/475992033.db2.gz IMUOLUQUEGCKQN-AABGKKOBSA-N 1 3 343.515 2.964 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000353465093 475993315 /nfs/dbraw/zinc/99/33/15/475993315.db2.gz ZKAMQLONMDUVDN-HSALFYBXSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467078 475995440 /nfs/dbraw/zinc/99/54/40/475995440.db2.gz KRCYLCDTVNZBHW-WFASDCNBSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467078 475995447 /nfs/dbraw/zinc/99/54/47/475995447.db2.gz KRCYLCDTVNZBHW-WFASDCNBSA-N 1 3 343.393 2.567 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000358868193 476000708 /nfs/dbraw/zinc/00/07/08/476000708.db2.gz VRUZHVVVVTUMSZ-IBGZPJMESA-N 1 3 343.446 2.506 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@H](CN)c1ccc(F)cc1)Cc1ccccc1 ZINC000358868193 476000717 /nfs/dbraw/zinc/00/07/17/476000717.db2.gz VRUZHVVVVTUMSZ-IBGZPJMESA-N 1 3 343.446 2.506 20 0 EFADHO C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N(C)Cc1ccccc1 ZINC000349787767 476001720 /nfs/dbraw/zinc/00/17/20/476001720.db2.gz VJSDQYZOVBAQAI-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4CC=CCC4)[C@H]3C2)cc1 ZINC000355522036 476005434 /nfs/dbraw/zinc/00/54/34/476005434.db2.gz AFESZLYDTIXBGY-PCCBWWKXSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4CC=CCC4)[C@H]3C2)cc1 ZINC000355522036 476005443 /nfs/dbraw/zinc/00/54/43/476005443.db2.gz AFESZLYDTIXBGY-PCCBWWKXSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4CC=CCC4)[C@H]3C2)cc1 ZINC000355522036 476005447 /nfs/dbraw/zinc/00/54/47/476005447.db2.gz AFESZLYDTIXBGY-PCCBWWKXSA-N 1 3 325.500 2.749 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000355524372 476006804 /nfs/dbraw/zinc/00/68/04/476006804.db2.gz LDMDRJQNLVTBSC-IEBWSBKVSA-N 1 3 346.519 2.805 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358888527 476014222 /nfs/dbraw/zinc/01/42/22/476014222.db2.gz SVESOVJQUDEMLO-QZTJIDSGSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358888527 476014231 /nfs/dbraw/zinc/01/42/31/476014231.db2.gz SVESOVJQUDEMLO-QZTJIDSGSA-N 1 3 335.467 2.639 20 0 EFADHO CCCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000346996730 476018793 /nfs/dbraw/zinc/01/87/93/476018793.db2.gz CWPXPQLHBZTLFL-HNNXBMFYSA-N 1 3 334.460 2.591 20 0 EFADHO CCC[N@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CCNCC1 ZINC000346996730 476018796 /nfs/dbraw/zinc/01/87/96/476018796.db2.gz CWPXPQLHBZTLFL-HNNXBMFYSA-N 1 3 334.460 2.591 20 0 EFADHO CCC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CCNCC1 ZINC000346996730 476018800 /nfs/dbraw/zinc/01/88/00/476018800.db2.gz CWPXPQLHBZTLFL-HNNXBMFYSA-N 1 3 334.460 2.591 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)C(N)C(F)(F)F)CCCC1)c1ccccc1 ZINC000353499376 476023133 /nfs/dbraw/zinc/02/31/33/476023133.db2.gz AHWBYABDMWCRGQ-TZMCWYRMSA-N 1 3 343.393 2.656 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)N(C)C)cc1 ZINC000353508493 476030418 /nfs/dbraw/zinc/03/04/18/476030418.db2.gz GDJJHEUTDIYDIK-CEXWTWQISA-N 1 3 331.504 2.602 20 0 EFADHO Cn1cncc1CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000298244060 476031419 /nfs/dbraw/zinc/03/14/19/476031419.db2.gz CPJDMGVQYXLUOI-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO Cn1cncc1CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000298244060 476031423 /nfs/dbraw/zinc/03/14/23/476031423.db2.gz CPJDMGVQYXLUOI-UHFFFAOYSA-N 1 3 327.476 2.596 20 0 EFADHO COc1cc(C)c(CN2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000353518596 476041019 /nfs/dbraw/zinc/04/10/19/476041019.db2.gz LEINUDUNJREXOW-UHFFFAOYSA-N 1 3 336.476 2.555 20 0 EFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353527744 476048464 /nfs/dbraw/zinc/04/84/64/476048464.db2.gz MAQZLBUEFUJQOJ-UHFFFAOYSA-N 1 3 342.487 2.723 20 0 EFADHO COCCOc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1OC ZINC000347037875 476052891 /nfs/dbraw/zinc/05/28/91/476052891.db2.gz GAISQKSSBGBKJA-GOSISDBHSA-N 1 3 348.487 2.684 20 0 EFADHO c1ccc(CCN2CC[C@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000298363304 476069409 /nfs/dbraw/zinc/06/94/09/476069409.db2.gz KFCXFHAKDMXGMW-LJQANCHMSA-N 1 3 327.516 2.767 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000356147179 476085771 /nfs/dbraw/zinc/08/57/71/476085771.db2.gz BXPOLFJNMLITHI-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000356182733 476088359 /nfs/dbraw/zinc/08/83/59/476088359.db2.gz YOUJAXGSLHKODB-NUJGCVRESA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000356182733 476088366 /nfs/dbraw/zinc/08/83/66/476088366.db2.gz YOUJAXGSLHKODB-NUJGCVRESA-N 1 3 344.503 2.604 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCCCCC1 ZINC000356275216 476095064 /nfs/dbraw/zinc/09/50/64/476095064.db2.gz DOJUVLXRIIKRNT-SJLPKXTDSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000347114503 476103106 /nfs/dbraw/zinc/10/31/06/476103106.db2.gz TUKKIZRGIIRGRK-YOFSQIOKSA-N 1 3 342.531 2.543 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cc(Cl)cc2c1OCC2 ZINC000350262791 476113305 /nfs/dbraw/zinc/11/33/05/476113305.db2.gz IPCITYMYUCCNGK-UHFFFAOYSA-N 1 3 326.868 2.723 20 0 EFADHO CC[NH+](CC)CCOCCNCc1csc(Br)c1 ZINC000350270745 476114514 /nfs/dbraw/zinc/11/45/14/476114514.db2.gz USDOWAANNBGNPA-UHFFFAOYSA-N 1 3 335.311 2.959 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343841298 476122314 /nfs/dbraw/zinc/12/23/14/476122314.db2.gz RJZAURUZWKFTPF-GVDBMIGSSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343841298 476122322 /nfs/dbraw/zinc/12/23/22/476122322.db2.gz RJZAURUZWKFTPF-GVDBMIGSSA-N 1 3 338.540 2.669 20 0 EFADHO CCc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336678874 476125415 /nfs/dbraw/zinc/12/54/15/476125415.db2.gz DENZRRLUSBDMGX-AEFFLSMTSA-N 1 3 326.488 2.983 20 0 EFADHO NC(=O)c1cccc(C[N@@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000336815315 476135631 /nfs/dbraw/zinc/13/56/31/476135631.db2.gz HMWFPTVECYSFGB-RTWAWAEBSA-N 1 3 349.478 2.739 20 0 EFADHO NC(=O)c1cccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000336815315 476135637 /nfs/dbraw/zinc/13/56/37/476135637.db2.gz HMWFPTVECYSFGB-RTWAWAEBSA-N 1 3 349.478 2.739 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359039956 476136348 /nfs/dbraw/zinc/13/63/48/476136348.db2.gz OAHOOTCZIFCGMS-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359039956 476136353 /nfs/dbraw/zinc/13/63/53/476136353.db2.gz OAHOOTCZIFCGMS-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO COc1cc([C@@H](C)NCC2(SC)CC[NH+](C)CC2)c(F)cn1 ZINC000353630602 476139587 /nfs/dbraw/zinc/13/95/87/476139587.db2.gz MTYNTLIXMFEYAH-GFCCVEGCSA-N 1 3 327.469 2.707 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000347180597 476154952 /nfs/dbraw/zinc/15/49/52/476154952.db2.gz CADPURXAQNNGMJ-ZACQAIPSSA-N 1 3 345.487 2.549 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663281 476169075 /nfs/dbraw/zinc/16/90/75/476169075.db2.gz UIUVHSPKXPFYPH-QRVBRYPASA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663281 476169078 /nfs/dbraw/zinc/16/90/78/476169078.db2.gz UIUVHSPKXPFYPH-QRVBRYPASA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc(N2CCCC2)n1 ZINC000353663281 476169085 /nfs/dbraw/zinc/16/90/85/476169085.db2.gz UIUVHSPKXPFYPH-QRVBRYPASA-N 1 3 328.504 2.953 20 0 EFADHO CCC[C@@](C)(N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353664402 476169236 /nfs/dbraw/zinc/16/92/36/476169236.db2.gz OKHIVZRLTSSWOJ-VQIMIIECSA-N 1 3 347.503 2.520 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338769546 476173426 /nfs/dbraw/zinc/17/34/26/476173426.db2.gz IPSAJQBAYCCJSK-QFBILLFUSA-N 1 3 341.499 2.813 20 0 EFADHO COc1cc2c(c(CN3CCC([C@H]4CCC[NH2+]4)CC3)c1)O[C@@H](C)C2 ZINC000347224647 476182542 /nfs/dbraw/zinc/18/25/42/476182542.db2.gz VCXRNRINOMSYBP-IFXJQAMLSA-N 1 3 330.472 2.983 20 0 EFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000338789584 476188052 /nfs/dbraw/zinc/18/80/52/476188052.db2.gz MIMRKIHJQHTJGY-MKXGPGLRSA-N 1 3 341.499 2.544 20 0 EFADHO COCCOc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357059304 476195787 /nfs/dbraw/zinc/19/57/87/476195787.db2.gz WVIGCUIPEGCPEM-SFHVURJKSA-N 1 3 348.487 2.542 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)CC1 ZINC000344262340 476196471 /nfs/dbraw/zinc/19/64/71/476196471.db2.gz WTWVYQXKYUBOMW-SJLPKXTDSA-N 1 3 338.540 2.526 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000303047024 476218641 /nfs/dbraw/zinc/21/86/41/476218641.db2.gz XJXLBMHWYXSSLZ-HKUYNNGSSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000303190244 476221515 /nfs/dbraw/zinc/22/15/15/476221515.db2.gz FJLOWPVDWLIAEO-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000303190244 476221519 /nfs/dbraw/zinc/22/15/19/476221519.db2.gz FJLOWPVDWLIAEO-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000338833917 476222569 /nfs/dbraw/zinc/22/25/69/476222569.db2.gz QOKSFEOBXGTNAX-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347277425 476224289 /nfs/dbraw/zinc/22/42/89/476224289.db2.gz SYTXSBJOPAXGFE-FXAWDEMLSA-N 1 3 339.483 2.626 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000353731207 476224510 /nfs/dbraw/zinc/22/45/10/476224510.db2.gz YYYNAISPEPZYPF-NTDBWNAOSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000353731207 476224515 /nfs/dbraw/zinc/22/45/15/476224515.db2.gz YYYNAISPEPZYPF-NTDBWNAOSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000353731204 476224820 /nfs/dbraw/zinc/22/48/20/476224820.db2.gz YYYNAISPEPZYPF-BMFAXAFESA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000353731204 476224827 /nfs/dbraw/zinc/22/48/27/476224827.db2.gz YYYNAISPEPZYPF-BMFAXAFESA-N 1 3 346.519 2.768 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093429 476226722 /nfs/dbraw/zinc/22/67/22/476226722.db2.gz YKFVQBMUMVPANZ-FQEVSTJZSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000357098786 476230555 /nfs/dbraw/zinc/23/05/55/476230555.db2.gz BKRZYUYGIKZLKA-BXWFABGCSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](C(=O)NCC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000347293586 476236452 /nfs/dbraw/zinc/23/64/52/476236452.db2.gz CKRKRHQFNCOMKZ-QGZVFWFLSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](C(=O)NCC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000347293586 476236463 /nfs/dbraw/zinc/23/64/63/476236463.db2.gz CKRKRHQFNCOMKZ-QGZVFWFLSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](C(=O)NCC[N@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000347293578 476237250 /nfs/dbraw/zinc/23/72/50/476237250.db2.gz CKRKRHQFNCOMKZ-KRWDZBQOSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000347293578 476237257 /nfs/dbraw/zinc/23/72/57/476237257.db2.gz CKRKRHQFNCOMKZ-KRWDZBQOSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000303459309 476237312 /nfs/dbraw/zinc/23/73/12/476237312.db2.gz KYEJDZGQLMNLFU-MSOLQXFVSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000359718269 476260588 /nfs/dbraw/zinc/26/05/88/476260588.db2.gz PALQCBAHTQLCQX-RTBURBONSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000359718269 476260595 /nfs/dbraw/zinc/26/05/95/476260595.db2.gz PALQCBAHTQLCQX-RTBURBONSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)N(C)C ZINC000359718265 476261263 /nfs/dbraw/zinc/26/12/63/476261263.db2.gz PALQCBAHTQLCQX-RBUKOAKNSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)N(C)C ZINC000359718265 476261268 /nfs/dbraw/zinc/26/12/68/476261268.db2.gz PALQCBAHTQLCQX-RBUKOAKNSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360006345 476281873 /nfs/dbraw/zinc/28/18/73/476281873.db2.gz JQJBNLVZBTWNDI-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360006345 476281876 /nfs/dbraw/zinc/28/18/76/476281876.db2.gz JQJBNLVZBTWNDI-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(C1CC1)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000362510348 476290724 /nfs/dbraw/zinc/29/07/24/476290724.db2.gz ONVWIXOGXKUPKX-UHFFFAOYSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000360091284 476291201 /nfs/dbraw/zinc/29/12/01/476291201.db2.gz VKNLKGCGOPUTAT-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000360091284 476291205 /nfs/dbraw/zinc/29/12/05/476291205.db2.gz VKNLKGCGOPUTAT-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353843485 476298377 /nfs/dbraw/zinc/29/83/77/476298377.db2.gz PCODHPLVKLVJHY-ZACQAIPSSA-N 1 3 340.508 2.587 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353852003 476300881 /nfs/dbraw/zinc/30/08/81/476300881.db2.gz RSLWGYGSVRLDAQ-IPMKNSEASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C(=O)C1CCN(C2CC2)CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000362544954 476303125 /nfs/dbraw/zinc/30/31/25/476303125.db2.gz KBDASLLRIHATFY-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863909 476305526 /nfs/dbraw/zinc/30/55/26/476305526.db2.gz HEFPTISSIHBKIQ-WMZOPIPTSA-N 1 3 330.476 2.561 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000360549755 476306869 /nfs/dbraw/zinc/30/68/69/476306869.db2.gz LKVOELLEARJKOO-BTRQGYIVSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000360549755 476306871 /nfs/dbraw/zinc/30/68/71/476306871.db2.gz LKVOELLEARJKOO-BTRQGYIVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000360581139 476308708 /nfs/dbraw/zinc/30/87/08/476308708.db2.gz OFRHCQZMLYHEQN-BZPMIXESSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000360581139 476308712 /nfs/dbraw/zinc/30/87/12/476308712.db2.gz OFRHCQZMLYHEQN-BZPMIXESSA-N 1 3 347.286 2.663 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1)N(C)C ZINC000357281929 476315173 /nfs/dbraw/zinc/31/51/73/476315173.db2.gz LFRQXXIQCYBWJF-IEBWSBKVSA-N 1 3 346.519 2.723 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592490 476320567 /nfs/dbraw/zinc/32/05/67/476320567.db2.gz NGBWOHQVAZRYQF-MISYRCLQSA-N 1 3 343.515 2.774 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592490 476320571 /nfs/dbraw/zinc/32/05/71/476320571.db2.gz NGBWOHQVAZRYQF-MISYRCLQSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000360677772 476338576 /nfs/dbraw/zinc/33/85/76/476338576.db2.gz AUHZGXPTMVVKAS-HSALFYBXSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000360677772 476338578 /nfs/dbraw/zinc/33/85/78/476338578.db2.gz AUHZGXPTMVVKAS-HSALFYBXSA-N 1 3 343.515 2.838 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000357357874 476344960 /nfs/dbraw/zinc/34/49/60/476344960.db2.gz XGUXJYAZVXJLDR-LZLYRXPVSA-N 1 3 331.504 2.932 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353993475 476350396 /nfs/dbraw/zinc/35/03/96/476350396.db2.gz SPWRFCFYYGOVHW-WOJBJXKFSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000357376704 476350527 /nfs/dbraw/zinc/35/05/27/476350527.db2.gz BAYVPPKVKSEYEC-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000353993473 476350690 /nfs/dbraw/zinc/35/06/90/476350690.db2.gz SPWRFCFYYGOVHW-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000357383507 476352512 /nfs/dbraw/zinc/35/25/12/476352512.db2.gz CWAZZGVMOLVIRL-AEFFLSMTSA-N 1 3 347.503 2.620 20 0 EFADHO c1ccc(CN2CC[C@@H]3C[N@@H+](CCN4CCCCC4)C[C@H]3C2)cc1 ZINC000377337450 476357353 /nfs/dbraw/zinc/35/73/53/476357353.db2.gz MZYRTZQHTWYDAQ-NHCUHLMSSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(CN2CC[C@@H]3C[N@H+](CCN4CCCCC4)C[C@H]3C2)cc1 ZINC000377337450 476357357 /nfs/dbraw/zinc/35/73/57/476357357.db2.gz MZYRTZQHTWYDAQ-NHCUHLMSSA-N 1 3 327.516 2.926 20 0 EFADHO CCCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000354019093 476369538 /nfs/dbraw/zinc/36/95/38/476369538.db2.gz UIFJSGMGBYUJDE-GHTZIAJQSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000354019093 476369543 /nfs/dbraw/zinc/36/95/43/476369543.db2.gz UIFJSGMGBYUJDE-GHTZIAJQSA-N 1 3 345.531 2.933 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354035187 476381260 /nfs/dbraw/zinc/38/12/60/476381260.db2.gz KGPMWBMAYCQTKH-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccccc2NC(C)=O)CC1 ZINC000354035483 476382174 /nfs/dbraw/zinc/38/21/74/476382174.db2.gz YLWNJUBVEIMVPO-UHFFFAOYSA-N 1 3 347.503 2.968 20 0 EFADHO C[C@@H]1CN(Cc2coc3ccccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354038312 476384254 /nfs/dbraw/zinc/38/42/54/476384254.db2.gz JZPWSBADENNLAK-VQIMIIECSA-N 1 3 327.472 2.891 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000354044531 476388412 /nfs/dbraw/zinc/38/84/12/476388412.db2.gz JMUXYXMINMEZKY-UHFFFAOYSA-N 1 3 330.476 2.886 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000354045757 476389342 /nfs/dbraw/zinc/38/93/42/476389342.db2.gz ZKHHDCXYXCRVPN-UHFFFAOYSA-N 1 3 343.515 2.831 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC3(C2)CCOCC3)CC1 ZINC000354045757 476389349 /nfs/dbraw/zinc/38/93/49/476389349.db2.gz ZKHHDCXYXCRVPN-UHFFFAOYSA-N 1 3 343.515 2.831 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCO)CC1 ZINC000354045521 476389430 /nfs/dbraw/zinc/38/94/30/476389430.db2.gz VEZPNCAZDOPQAR-UHFFFAOYSA-N 1 3 334.504 2.618 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCCO)CC1 ZINC000354045521 476389433 /nfs/dbraw/zinc/38/94/33/476389433.db2.gz VEZPNCAZDOPQAR-UHFFFAOYSA-N 1 3 334.504 2.618 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000369087485 476390269 /nfs/dbraw/zinc/39/02/69/476390269.db2.gz ILTLLYVEKBUAIY-RBUKOAKNSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000369087485 476390274 /nfs/dbraw/zinc/39/02/74/476390274.db2.gz ILTLLYVEKBUAIY-RBUKOAKNSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000354136959 476452878 /nfs/dbraw/zinc/45/28/78/476452878.db2.gz KTCYTCKDJZGZCJ-JCHJZTRSSA-N 1 3 346.519 2.850 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000362890977 476465469 /nfs/dbraw/zinc/46/54/69/476465469.db2.gz HLDUHRVQKZUKGC-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000362890977 476465474 /nfs/dbraw/zinc/46/54/74/476465474.db2.gz HLDUHRVQKZUKGC-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO COC(=O)c1cc2cc(CN3CCC(C[NH+](C)C)CC3)ccc2o1 ZINC000357590225 476475628 /nfs/dbraw/zinc/47/56/28/476475628.db2.gz DELPIVBDQHQPKA-UHFFFAOYSA-N 1 3 330.428 2.993 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000354179042 476484229 /nfs/dbraw/zinc/48/42/29/476484229.db2.gz YXGLAJGMAJKOHP-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000351627293 476486057 /nfs/dbraw/zinc/48/60/57/476486057.db2.gz GCBLXZIRGCLYAJ-IXDOHACOSA-N 1 3 338.540 2.621 20 0 EFADHO Cc1cc(CNCCOCC[NH+](C)C)ccc1Oc1cccnc1 ZINC000354188676 476489308 /nfs/dbraw/zinc/48/93/08/476489308.db2.gz FPKIHEWEHOGFFM-UHFFFAOYSA-N 1 3 329.444 2.850 20 0 EFADHO C[NH+](C)CCOCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000354191389 476491214 /nfs/dbraw/zinc/49/12/14/476491214.db2.gz NGCOUTNFDIGXET-UHFFFAOYSA-N 1 3 345.270 2.937 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000369719931 476494510 /nfs/dbraw/zinc/49/45/10/476494510.db2.gz CKAZIDQHUPYGTI-HXUWFJFHSA-N 1 3 346.519 2.540 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000357630682 476501588 /nfs/dbraw/zinc/50/15/88/476501588.db2.gz YMYIDYBVYJCBCW-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357632038 476502853 /nfs/dbraw/zinc/50/28/53/476502853.db2.gz JPGZKNNXFBUUNH-WDSOQIARSA-N 1 3 331.504 2.790 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354223923 476516256 /nfs/dbraw/zinc/51/62/56/476516256.db2.gz LTNKEPCTZHWWBY-NVXWUHKLSA-N 1 3 334.460 2.657 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354223923 476516262 /nfs/dbraw/zinc/51/62/62/476516262.db2.gz LTNKEPCTZHWWBY-NVXWUHKLSA-N 1 3 334.460 2.657 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000354245609 476534228 /nfs/dbraw/zinc/53/42/28/476534228.db2.gz TUXUITVTBHLIFS-RBUKOAKNSA-N 1 3 331.504 2.916 20 0 EFADHO CN(Cc1ccccc1C[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352186149 476534265 /nfs/dbraw/zinc/53/42/65/476534265.db2.gz JJBJWDRCMWJBER-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccccc1C[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352186149 476534275 /nfs/dbraw/zinc/53/42/75/476534275.db2.gz JJBJWDRCMWJBER-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000354245606 476534352 /nfs/dbraw/zinc/53/43/52/476534352.db2.gz TUXUITVTBHLIFS-MOPGFXCFSA-N 1 3 331.504 2.916 20 0 EFADHO COCc1ccccc1/C=C(/C)CNCCC[NH+]1CCC(O)CC1 ZINC000352221828 476562318 /nfs/dbraw/zinc/56/23/18/476562318.db2.gz OAQKPYGLZWWMKD-VKAVYKQESA-N 1 3 332.488 2.673 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377761797 476565867 /nfs/dbraw/zinc/56/58/67/476565867.db2.gz PTWDCAYBNHTFES-YESZJQIVSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377761797 476565876 /nfs/dbraw/zinc/56/58/76/476565876.db2.gz PTWDCAYBNHTFES-YESZJQIVSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000377762056 476566326 /nfs/dbraw/zinc/56/63/26/476566326.db2.gz CPRNWPYUGAUHFJ-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000377762056 476566333 /nfs/dbraw/zinc/56/63/33/476566333.db2.gz CPRNWPYUGAUHFJ-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000357740405 476569927 /nfs/dbraw/zinc/56/99/27/476569927.db2.gz JLQIJTJDXKUJBJ-AEFFLSMTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000357740405 476569929 /nfs/dbraw/zinc/56/99/29/476569929.db2.gz JLQIJTJDXKUJBJ-AEFFLSMTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)N2CCCCCC2)o1 ZINC000357784912 476602222 /nfs/dbraw/zinc/60/22/22/476602222.db2.gz AMWPINUWRLFVCS-QGZVFWFLSA-N 1 3 335.492 2.743 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377844367 476609338 /nfs/dbraw/zinc/60/93/38/476609338.db2.gz WEMUCLDQTCDETQ-GOSISDBHSA-N 1 3 327.488 2.580 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)ccc1OC ZINC000361121717 476616327 /nfs/dbraw/zinc/61/63/27/476616327.db2.gz HYFRCMREUOQVKT-SFHVURJKSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)ccc1OC ZINC000361121717 476616333 /nfs/dbraw/zinc/61/63/33/476616333.db2.gz HYFRCMREUOQVKT-SFHVURJKSA-N 1 3 337.483 2.682 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000374985283 476622033 /nfs/dbraw/zinc/62/20/33/476622033.db2.gz YHDKNHYNADTFNP-AQNXPRMDSA-N 1 3 341.499 2.607 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357812398 476623717 /nfs/dbraw/zinc/62/37/17/476623717.db2.gz HIVHBXHEMDBLIH-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357812398 476623722 /nfs/dbraw/zinc/62/37/22/476623722.db2.gz HIVHBXHEMDBLIH-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO NC[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000365569552 476627386 /nfs/dbraw/zinc/62/73/86/476627386.db2.gz SPIVULKUVNVGBK-HNAYVOBHSA-N 1 3 325.456 2.736 20 0 EFADHO O=C(N1CCC[C@H](C[NH+]2CCCCCC2)C1)C12CCCN1CCC2 ZINC000377926949 476645385 /nfs/dbraw/zinc/64/53/85/476645385.db2.gz VCEDWLCOXMWKLA-GOSISDBHSA-N 1 3 333.520 2.729 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354413066 476646784 /nfs/dbraw/zinc/64/67/84/476646784.db2.gz MTMXHIQTZGABPW-XQQFMLRXSA-N 1 3 328.909 2.940 20 0 EFADHO CC(C)(C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CCCC1 ZINC000357855668 476651381 /nfs/dbraw/zinc/65/13/81/476651381.db2.gz RNFVEZKDWXUNGU-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1)N(C)C ZINC000357873750 476663494 /nfs/dbraw/zinc/66/34/94/476663494.db2.gz QLYKPSDSJMXMDS-JXFKEZNVSA-N 1 3 343.515 2.977 20 0 EFADHO COc1ccc2c(c1)CC[N@@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000370148858 476678733 /nfs/dbraw/zinc/67/87/33/476678733.db2.gz MMQBYAHFUUBVFR-UHFFFAOYSA-N 1 3 345.531 2.512 20 0 EFADHO COc1ccc2c(c1)CC[N@H+](CCCN1CCN(C(C)C)CC1)CC2 ZINC000370148858 476678735 /nfs/dbraw/zinc/67/87/35/476678735.db2.gz MMQBYAHFUUBVFR-UHFFFAOYSA-N 1 3 345.531 2.512 20 0 EFADHO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000422627000 476721600 /nfs/dbraw/zinc/72/16/00/476721600.db2.gz MIRNMKGMLZGZCC-FQEVSTJZSA-N 1 3 349.478 2.815 20 0 EFADHO CC(C)(CC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000422624269 476722082 /nfs/dbraw/zinc/72/20/82/476722082.db2.gz YSFWGDNDWRBOSW-QGZVFWFLSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422631207 476723161 /nfs/dbraw/zinc/72/31/61/476723161.db2.gz FGLQHRATSHLJBB-INMHGKMJSA-N 1 3 328.460 2.974 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422631208 476723395 /nfs/dbraw/zinc/72/33/95/476723395.db2.gz FGLQHRATSHLJBB-VYDXJSESSA-N 1 3 328.460 2.974 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641860 476727657 /nfs/dbraw/zinc/72/76/57/476727657.db2.gz YNPHCCKUUIAUTF-JYJNAYRXSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422641860 476727664 /nfs/dbraw/zinc/72/76/64/476727664.db2.gz YNPHCCKUUIAUTF-JYJNAYRXSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@@H](C)C[C@@H]1C ZINC000422641860 476727668 /nfs/dbraw/zinc/72/76/68/476727668.db2.gz YNPHCCKUUIAUTF-JYJNAYRXSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641865 476728320 /nfs/dbraw/zinc/72/83/20/476728320.db2.gz YNPHCCKUUIAUTF-OAGGEKHMSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422641865 476728322 /nfs/dbraw/zinc/72/83/22/476728322.db2.gz YNPHCCKUUIAUTF-OAGGEKHMSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@H]1C ZINC000422641865 476728326 /nfs/dbraw/zinc/72/83/26/476728326.db2.gz YNPHCCKUUIAUTF-OAGGEKHMSA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445027175 476731826 /nfs/dbraw/zinc/73/18/26/476731826.db2.gz DHKUKLRBLYFURI-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCN2CCCC(C)(C)C2)C1 ZINC000445027175 476731829 /nfs/dbraw/zinc/73/18/29/476731829.db2.gz DHKUKLRBLYFURI-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccncc2)CC1 ZINC000422693747 476733452 /nfs/dbraw/zinc/73/34/52/476733452.db2.gz MLKAVNABMBQKOL-YLJYHZDGSA-N 1 3 330.520 2.946 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccncc2)CC1 ZINC000422693744 476733477 /nfs/dbraw/zinc/73/34/77/476733477.db2.gz MLKAVNABMBQKOL-FXAWDEMLSA-N 1 3 330.520 2.946 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422702637 476735229 /nfs/dbraw/zinc/73/52/29/476735229.db2.gz FMVOPWKGMMSEBI-MVJPYGJCSA-N 1 3 329.488 2.784 20 0 EFADHO CCC(CC)C(=O)N1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422700459 476735329 /nfs/dbraw/zinc/73/53/29/476735329.db2.gz BXYHJYXPEBXTSM-UZLBHIALSA-N 1 3 345.531 2.962 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422702635 476736174 /nfs/dbraw/zinc/73/61/74/476736174.db2.gz FMVOPWKGMMSEBI-JOCLIGHLSA-N 1 3 329.488 2.784 20 0 EFADHO CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381387490 476737379 /nfs/dbraw/zinc/73/73/79/476737379.db2.gz TZIGCKUKNQHMPG-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381387490 476737384 /nfs/dbraw/zinc/73/73/84/476737384.db2.gz TZIGCKUKNQHMPG-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381387490 476737389 /nfs/dbraw/zinc/73/73/89/476737389.db2.gz TZIGCKUKNQHMPG-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381175914 476738043 /nfs/dbraw/zinc/73/80/43/476738043.db2.gz ZTYAPCZAJBCSNH-VQTJNVASSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381175914 476738050 /nfs/dbraw/zinc/73/80/50/476738050.db2.gz ZTYAPCZAJBCSNH-VQTJNVASSA-N 1 3 343.515 2.922 20 0 EFADHO COc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC1CCCC1 ZINC000422710188 476738718 /nfs/dbraw/zinc/73/87/18/476738718.db2.gz LBQXDJVIZONYFX-BMGDILEWSA-N 1 3 348.487 2.859 20 0 EFADHO CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381387491 476738791 /nfs/dbraw/zinc/73/87/91/476738791.db2.gz TZIGCKUKNQHMPG-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381387491 476738797 /nfs/dbraw/zinc/73/87/97/476738797.db2.gz TZIGCKUKNQHMPG-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381387491 476738802 /nfs/dbraw/zinc/73/88/02/476738802.db2.gz TZIGCKUKNQHMPG-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375253552 476739912 /nfs/dbraw/zinc/73/99/12/476739912.db2.gz UJJCNBQAILPCFN-UHFFFAOYSA-N 1 3 341.499 2.888 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422712254 476739916 /nfs/dbraw/zinc/73/99/16/476739916.db2.gz NUAJMQKWPQZXKX-GZBFAFLISA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422712254 476739922 /nfs/dbraw/zinc/73/99/22/476739922.db2.gz NUAJMQKWPQZXKX-GZBFAFLISA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422718068 476740383 /nfs/dbraw/zinc/74/03/83/476740383.db2.gz WKXRGDJADDLKIN-DLBZAZTESA-N 1 3 325.566 2.845 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000365870939 476742568 /nfs/dbraw/zinc/74/25/68/476742568.db2.gz FHTCEISCBDYPIZ-QRFRQXIXSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719240 476744085 /nfs/dbraw/zinc/74/40/85/476744085.db2.gz XZAVBZOHRGFIEW-YSSFQJQWSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719240 476744090 /nfs/dbraw/zinc/74/40/90/476744090.db2.gz XZAVBZOHRGFIEW-YSSFQJQWSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000422724210 476745578 /nfs/dbraw/zinc/74/55/78/476745578.db2.gz UXXFNNNDMDAQPW-YSSFQJQWSA-N 1 3 341.455 2.503 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCC[NH2+]1 ZINC000382762381 476747531 /nfs/dbraw/zinc/74/75/31/476747531.db2.gz LHXFVXGNIZYIMZ-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422730887 476749542 /nfs/dbraw/zinc/74/95/42/476749542.db2.gz MPZLDBOMIUWBGO-YNEHKIRRSA-N 1 3 331.382 2.879 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)N(C)C)c1 ZINC000422733716 476750325 /nfs/dbraw/zinc/75/03/25/476750325.db2.gz RJJCSVPDYZLSSJ-XOBRGWDASA-N 1 3 342.487 2.811 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734757 476751111 /nfs/dbraw/zinc/75/11/11/476751111.db2.gz TYBCIBBHMMRTQC-ZENOOKHLSA-N 1 3 343.393 2.881 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734757 476751116 /nfs/dbraw/zinc/75/11/16/476751116.db2.gz TYBCIBBHMMRTQC-ZENOOKHLSA-N 1 3 343.393 2.881 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)N(C)C)c1 ZINC000422737933 476754084 /nfs/dbraw/zinc/75/40/84/476754084.db2.gz XYSXUWHWTVLPCG-NDXORKPFSA-N 1 3 341.499 2.846 20 0 EFADHO COc1cccc([C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)c1 ZINC000422737933 476754090 /nfs/dbraw/zinc/75/40/90/476754090.db2.gz XYSXUWHWTVLPCG-NDXORKPFSA-N 1 3 341.499 2.846 20 0 EFADHO CN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1c1ccccc1 ZINC000365893323 476754813 /nfs/dbraw/zinc/75/48/13/476754813.db2.gz XPWCOJOOUGHJKT-PMACEKPBSA-N 1 3 337.467 2.923 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422745643 476755299 /nfs/dbraw/zinc/75/52/99/476755299.db2.gz MQYDMFIORWWEIG-OLZOCXBDSA-N 1 3 340.414 2.937 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422745642 476756412 /nfs/dbraw/zinc/75/64/12/476756412.db2.gz MQYDMFIORWWEIG-CHWSQXEVSA-N 1 3 340.414 2.937 20 0 EFADHO CC(C)(C)c1csc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422746712 476756987 /nfs/dbraw/zinc/75/69/87/476756987.db2.gz XACXRRLAOOTAMU-RBSFLKMASA-N 1 3 337.533 2.730 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000422749427 476757121 /nfs/dbraw/zinc/75/71/21/476757121.db2.gz ZCNQBEOZVPWCEE-BPUTZDHNSA-N 1 3 332.492 2.583 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000422749428 476757741 /nfs/dbraw/zinc/75/77/41/476757741.db2.gz ZCNQBEOZVPWCEE-CWRNSKLLSA-N 1 3 332.492 2.583 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000422750795 476759812 /nfs/dbraw/zinc/75/98/12/476759812.db2.gz BOWULJWTJWVSSM-ICSRJNTNSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(CN)nc3C)CC2)n1 ZINC000422763776 476766050 /nfs/dbraw/zinc/76/60/50/476766050.db2.gz PGYQDULJZPSFKQ-OAHLLOKOSA-N 1 3 339.487 2.872 20 0 EFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774526 476771358 /nfs/dbraw/zinc/77/13/58/476771358.db2.gz XITVGLKDLICRFZ-IPMKNSEASA-N 1 3 334.529 2.975 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000387435714 476772039 /nfs/dbraw/zinc/77/20/39/476772039.db2.gz RECSYYZVSIDTFB-CQSZACIVSA-N 1 3 347.286 2.807 20 0 EFADHO Cc1cccc2c(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422782405 476772041 /nfs/dbraw/zinc/77/20/41/476772041.db2.gz LZCAPTHSTZWDOH-GBESFXJTSA-N 1 3 327.472 2.766 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422792922 476777812 /nfs/dbraw/zinc/77/78/12/476777812.db2.gz DXMVNCVVXKZXRJ-VUCTXSBTSA-N 1 3 328.859 2.880 20 0 EFADHO CCN(CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792262 476777829 /nfs/dbraw/zinc/77/78/29/476777829.db2.gz VYKYCUVYDWKLLV-HSALFYBXSA-N 1 3 331.504 2.650 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000422795002 476778860 /nfs/dbraw/zinc/77/88/60/476778860.db2.gz VDQYPGRDSQJQSA-KRWDZBQOSA-N 1 3 343.515 2.875 20 0 EFADHO C[NH+](C)C1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC1 ZINC000445858402 476781502 /nfs/dbraw/zinc/78/15/02/476781502.db2.gz CXZOLAXFWUVBQL-SFHVURJKSA-N 1 3 344.503 2.607 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422818875 476791389 /nfs/dbraw/zinc/79/13/89/476791389.db2.gz HHDHGYSBLYTOSY-OCCSQVGLSA-N 1 3 339.867 2.784 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422818875 476791395 /nfs/dbraw/zinc/79/13/95/476791395.db2.gz HHDHGYSBLYTOSY-OCCSQVGLSA-N 1 3 339.867 2.784 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422818379 476791775 /nfs/dbraw/zinc/79/17/75/476791775.db2.gz KDSIJQNUGYSKSL-CQSZACIVSA-N 1 3 330.451 2.770 20 0 EFADHO c1cnc2c(c1)cccc2CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422818184 476791874 /nfs/dbraw/zinc/79/18/74/476791874.db2.gz JOWMHOYQGBFJFN-IPMKNSEASA-N 1 3 325.456 2.524 20 0 EFADHO CCC(CC)[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCOCC1 ZINC000422820501 476793309 /nfs/dbraw/zinc/79/33/09/476793309.db2.gz QYVOUCWHFRCUMV-QMMLZNLJSA-N 1 3 347.547 2.672 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCOCC1 ZINC000422820762 476793792 /nfs/dbraw/zinc/79/37/92/476793792.db2.gz SDOIUXPVPNFQTJ-QRWLVFNGSA-N 1 3 348.535 2.636 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCC[C@H]1C[NH3+] ZINC000422819859 476793860 /nfs/dbraw/zinc/79/38/60/476793860.db2.gz JCSZHQVZGDSNFC-JSGCOSHPSA-N 1 3 339.867 2.703 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1CN ZINC000422819859 476793865 /nfs/dbraw/zinc/79/38/65/476793865.db2.gz JCSZHQVZGDSNFC-JSGCOSHPSA-N 1 3 339.867 2.703 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390739339 476797772 /nfs/dbraw/zinc/79/77/72/476797772.db2.gz LAPSFIJUSWQYLL-QZTJIDSGSA-N 1 3 331.504 2.791 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422828254 476797875 /nfs/dbraw/zinc/79/78/75/476797875.db2.gz OEDSINRYLFGEFB-GBESFXJTSA-N 1 3 345.487 2.785 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1ccccc1Cl ZINC000422829326 476799597 /nfs/dbraw/zinc/79/95/97/476799597.db2.gz BTVLCKWODKDXDZ-HGTKMLMNSA-N 1 3 326.868 2.839 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390781695 476799778 /nfs/dbraw/zinc/79/97/78/476799778.db2.gz RLSIQYZIAXCTHS-MSOLQXFVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](CN1CCCCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837506 476802323 /nfs/dbraw/zinc/80/23/23/476802323.db2.gz UTHDEJWTJSAXRL-YVWKXTFCSA-N 1 3 329.488 2.706 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842185 476804468 /nfs/dbraw/zinc/80/44/68/476804468.db2.gz FGPGUCDFHKDFDA-IEBWSBKVSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422842045 476805200 /nfs/dbraw/zinc/80/52/00/476805200.db2.gz FBIJDVVMFZGLBJ-MJGOQNOKSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422841404 476805264 /nfs/dbraw/zinc/80/52/64/476805264.db2.gz CXWNHMNPFIQKOC-HKUYNNGSSA-N 1 3 347.572 2.896 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849546 476809852 /nfs/dbraw/zinc/80/98/52/476809852.db2.gz VACXXAPZINUQDW-APWZRJJASA-N 1 3 338.455 2.941 20 0 EFADHO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000375393038 476813708 /nfs/dbraw/zinc/81/37/08/476813708.db2.gz SZRIBOFJSOAEMU-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375393038 476813717 /nfs/dbraw/zinc/81/37/17/476813717.db2.gz SZRIBOFJSOAEMU-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375393038 476813722 /nfs/dbraw/zinc/81/37/22/476813722.db2.gz SZRIBOFJSOAEMU-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000391683295 476815142 /nfs/dbraw/zinc/81/51/42/476815142.db2.gz SWXIRWFCTVBHPU-APWZRJJASA-N 1 3 331.504 2.901 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1 ZINC000391683295 476815148 /nfs/dbraw/zinc/81/51/48/476815148.db2.gz SWXIRWFCTVBHPU-APWZRJJASA-N 1 3 331.504 2.901 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccn(-c2ccccc2)n1 ZINC000422864736 476816700 /nfs/dbraw/zinc/81/67/00/476816700.db2.gz VUNYRGCLLWZBTO-LAUBAEHRSA-N 1 3 334.467 2.963 20 0 EFADHO C[C@H](NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422868240 476819253 /nfs/dbraw/zinc/81/92/53/476819253.db2.gz URDHEYTUPNGVRE-KSSFIOAISA-N 1 3 333.451 2.551 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3CN)CCOCC2)cc1 ZINC000422875924 476823597 /nfs/dbraw/zinc/82/35/97/476823597.db2.gz DMURNLBIRMMBBC-QFBILLFUSA-N 1 3 332.488 2.851 20 0 EFADHO CN1CC=C(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392268101 476823964 /nfs/dbraw/zinc/82/39/64/476823964.db2.gz QRKOWXWYWHYVEE-SJORKVTESA-N 1 3 337.508 2.921 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C ZINC000422879006 476825053 /nfs/dbraw/zinc/82/50/53/476825053.db2.gz JYCKQFANYNYVBU-CEXWTWQISA-N 1 3 331.504 2.568 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc(F)c(Cl)c2)CC[NH2+]CC1 ZINC000422880019 476825379 /nfs/dbraw/zinc/82/53/79/476825379.db2.gz NBHRRQJSYWWIIZ-LBPRGKRZSA-N 1 3 342.842 2.890 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000366042355 476829730 /nfs/dbraw/zinc/82/97/30/476829730.db2.gz XVPSLCQJUNBZPK-HXUWFJFHSA-N 1 3 341.499 2.594 20 0 EFADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)N)CCCC2)c1 ZINC000422891691 476831081 /nfs/dbraw/zinc/83/10/81/476831081.db2.gz VZOUQZNEGAPMKF-AYOQOUSVSA-N 1 3 332.488 2.849 20 0 EFADHO Cc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422898901 476835371 /nfs/dbraw/zinc/83/53/71/476835371.db2.gz NFBKVRJPUOCVIX-XUVXKRRUSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905250 476839373 /nfs/dbraw/zinc/83/93/73/476839373.db2.gz YXZWEFPTEUEBMH-BFHYXJOUSA-N 1 3 340.309 2.991 20 0 EFADHO CCc1nc(CN2CCC(CN[C@@H](C)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422910411 476843822 /nfs/dbraw/zinc/84/38/22/476843822.db2.gz ICLVFAJRTSRYSF-YOEHRIQHSA-N 1 3 336.549 2.648 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920706 476847399 /nfs/dbraw/zinc/84/73/99/476847399.db2.gz MSCMCEASTZTAPI-JOYOIKCWSA-N 1 3 337.773 2.850 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422926347 476848035 /nfs/dbraw/zinc/84/80/35/476848035.db2.gz WNEPZGHRLULNQK-PXNSSMCTSA-N 1 3 330.520 2.624 20 0 EFADHO CCN1CCN(Cc2ccc(NC3CCC(C[NH3+])CC3)cc2)CC1 ZINC000422923642 476848457 /nfs/dbraw/zinc/84/84/57/476848457.db2.gz SGBJTXQDGRVIML-UHFFFAOYSA-N 1 3 330.520 2.754 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCC[C@@H]2CN)cc1 ZINC000422923959 476848558 /nfs/dbraw/zinc/84/85/58/476848558.db2.gz AGAOSQXVGYMLLI-WDYCEAGBSA-N 1 3 347.503 2.760 20 0 EFADHO [NH3+][C@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)c2ccccc21 ZINC000422925441 476848756 /nfs/dbraw/zinc/84/87/56/476848756.db2.gz VGIHCAJDTUOVIR-DLBZAZTESA-N 1 3 325.460 2.672 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000430545970 476851646 /nfs/dbraw/zinc/85/16/46/476851646.db2.gz BYACKJNVKGVVCX-DLBZAZTESA-N 1 3 331.504 2.882 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933633 476851936 /nfs/dbraw/zinc/85/19/36/476851936.db2.gz BPFALGAWIYFDEK-MELADBBJSA-N 1 3 340.309 2.991 20 0 EFADHO C[C@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000422934013 476852671 /nfs/dbraw/zinc/85/26/71/476852671.db2.gz BXTFAMINHFFRSR-QVTBYWDJSA-N 1 3 343.515 2.668 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000430545971 476852696 /nfs/dbraw/zinc/85/26/96/476852696.db2.gz BYACKJNVKGVVCX-IAGOWNOFSA-N 1 3 331.504 2.882 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422938270 476855506 /nfs/dbraw/zinc/85/55/06/476855506.db2.gz DLWKCBQGAVKMJV-SWLSCSKDSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938270 476855511 /nfs/dbraw/zinc/85/55/11/476855511.db2.gz DLWKCBQGAVKMJV-SWLSCSKDSA-N 1 3 327.266 2.935 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422941938 476856742 /nfs/dbraw/zinc/85/67/42/476856742.db2.gz OYRJZVDRNPQXIW-SLFFLAALSA-N 1 3 348.487 2.983 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1cccc(Br)c1 ZINC000422941536 476857903 /nfs/dbraw/zinc/85/79/03/476857903.db2.gz JKMUIBPZOSFLJT-SWLSCSKDSA-N 1 3 327.266 2.806 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414060269 476857983 /nfs/dbraw/zinc/85/79/83/476857983.db2.gz JITRCMKDCSJUQN-ZWKOTPCHSA-N 1 3 339.568 2.976 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cs1 ZINC000397600445 476859030 /nfs/dbraw/zinc/85/90/30/476859030.db2.gz TVFIFXPMXAOUSZ-SNVBAGLBSA-N 1 3 333.295 2.618 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000414068177 476860944 /nfs/dbraw/zinc/86/09/44/476860944.db2.gz AUOPQNLMZNPFKB-YESZJQIVSA-N 1 3 335.492 2.500 20 0 EFADHO COc1cc(OC)cc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422947806 476861023 /nfs/dbraw/zinc/86/10/23/476861023.db2.gz ZAWCAVDCJGEWRV-MOPGFXCFSA-N 1 3 328.412 2.817 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCC[C@@H]3CN)cc2)n1 ZINC000422952143 476862171 /nfs/dbraw/zinc/86/21/71/476862171.db2.gz BWVNKXMPXMHGEO-IAGOWNOFSA-N 1 3 328.460 2.949 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430567817 476863026 /nfs/dbraw/zinc/86/30/26/476863026.db2.gz GJANWYKNGCFZID-TZMCWYRMSA-N 1 3 334.851 2.992 20 0 EFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422955285 476865086 /nfs/dbraw/zinc/86/50/86/476865086.db2.gz LNYXCQVGYOILNL-NWDGAFQWSA-N 1 3 342.281 2.802 20 0 EFADHO CCOC(=O)C1([C@@H](C)NC2(c3ccc(F)cc3)CC2)CC[NH2+]CC1 ZINC000422958622 476865765 /nfs/dbraw/zinc/86/57/65/476865765.db2.gz PPYWFQLZIIVMKE-CQSZACIVSA-N 1 3 334.435 2.726 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000398038194 476865881 /nfs/dbraw/zinc/86/58/81/476865881.db2.gz JRTADAZYAWAOQJ-WMZOPIPTSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCc1cncn1C ZINC000398036175 476866624 /nfs/dbraw/zinc/86/66/24/476866624.db2.gz PWTXBTGHNZWSQC-XLIONFOSSA-N 1 3 326.488 2.853 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398102366 476867693 /nfs/dbraw/zinc/86/76/93/476867693.db2.gz ZQEUSGZESRZMCN-CGTJXYLNSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000398101572 476868896 /nfs/dbraw/zinc/86/88/96/476868896.db2.gz ZJCPWPJBHMGXQX-NZSAHSFTSA-N 1 3 329.488 2.545 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)c1ccc(F)cc1 ZINC000422960329 476868908 /nfs/dbraw/zinc/86/89/08/476868908.db2.gz VVCAYPNAMJOKNL-IPMKNSEASA-N 1 3 347.478 2.846 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422960329 476868915 /nfs/dbraw/zinc/86/89/15/476868915.db2.gz VVCAYPNAMJOKNL-IPMKNSEASA-N 1 3 347.478 2.846 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)c1ccc(F)cc1 ZINC000422960326 476869394 /nfs/dbraw/zinc/86/93/94/476869394.db2.gz VVCAYPNAMJOKNL-CEXWTWQISA-N 1 3 347.478 2.846 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422960326 476869400 /nfs/dbraw/zinc/86/94/00/476869400.db2.gz VVCAYPNAMJOKNL-CEXWTWQISA-N 1 3 347.478 2.846 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000398183841 476870936 /nfs/dbraw/zinc/87/09/36/476870936.db2.gz XTBLIBFCBUDVTI-QWFCFKBJSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000446405241 476874493 /nfs/dbraw/zinc/87/44/93/476874493.db2.gz KAAAODATCIFMOU-NSISKUIASA-N 1 3 343.515 2.716 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430600508 476876837 /nfs/dbraw/zinc/87/68/37/476876837.db2.gz SBSOPLGFKUVROT-CHWSQXEVSA-N 1 3 339.867 2.736 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422993214 476882652 /nfs/dbraw/zinc/88/26/52/476882652.db2.gz RCAZNGBDLWFPRP-UWJYYQICSA-N 1 3 338.499 2.846 20 0 EFADHO CN(c1ccccc1CN1CCCO[C@H](CF)C1)C1CC[NH+](C)CC1 ZINC000414483027 476882797 /nfs/dbraw/zinc/88/27/97/476882797.db2.gz YQGJWFBZTPCSNI-LJQANCHMSA-N 1 3 349.494 2.777 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399537454 476884118 /nfs/dbraw/zinc/88/41/18/476884118.db2.gz VDMAVGDSGWSLSX-QFBILLFUSA-N 1 3 331.504 2.729 20 0 EFADHO COc1cc(NCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422997772 476884800 /nfs/dbraw/zinc/88/48/00/476884800.db2.gz BWTOHMBLHDNTRS-IPMKNSEASA-N 1 3 333.476 2.626 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)cc1OC ZINC000423005123 476888577 /nfs/dbraw/zinc/88/85/77/476888577.db2.gz QUUQLAZLRSAFLW-KDOFPFPSSA-N 1 3 342.439 2.530 20 0 EFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414742559 476890058 /nfs/dbraw/zinc/89/00/58/476890058.db2.gz ICVRLPUEHYKMMJ-QUCCMNQESA-N 1 3 343.515 2.542 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000414786648 476892852 /nfs/dbraw/zinc/89/28/52/476892852.db2.gz KWWILCZQPHHXAB-MJGOQNOKSA-N 1 3 329.419 2.702 20 0 EFADHO COC[C@H](CCC[NH3+])N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017058 476893003 /nfs/dbraw/zinc/89/30/03/476893003.db2.gz NVZGBWZHJMDOQN-VBNZEHGJSA-N 1 3 330.831 2.653 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414855098 476893915 /nfs/dbraw/zinc/89/39/15/476893915.db2.gz WDSNURPKQMESET-BXUZGUMPSA-N 1 3 329.286 2.531 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000423030137 476896336 /nfs/dbraw/zinc/89/63/36/476896336.db2.gz JEKJRQKNMXNVGE-DUXKGJEZSA-N 1 3 345.531 2.654 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000423033052 476899272 /nfs/dbraw/zinc/89/92/72/476899272.db2.gz WLSCPGIVMCTCGZ-HZUKXOBISA-N 1 3 347.286 2.852 20 0 EFADHO Cc1cc(Br)cn2cc(CCN[C@@H](C)C[C@H](C)[NH3+])nc12 ZINC000423038168 476900967 /nfs/dbraw/zinc/90/09/67/476900967.db2.gz NXBQMKBHVAHOPX-RYUDHWBXSA-N 1 3 339.281 2.663 20 0 EFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C[C@H](C)N)nc12 ZINC000423038168 476900970 /nfs/dbraw/zinc/90/09/70/476900970.db2.gz NXBQMKBHVAHOPX-RYUDHWBXSA-N 1 3 339.281 2.663 20 0 EFADHO COCC1(CNCc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000414959527 476902246 /nfs/dbraw/zinc/90/22/46/476902246.db2.gz SIQHYJWOSUZUBA-UHFFFAOYSA-N 1 3 345.256 2.694 20 0 EFADHO COCC1(CNCc2ccccc2Br)CC[NH2+]CC1 ZINC000414957563 476902365 /nfs/dbraw/zinc/90/23/65/476902365.db2.gz QBCYGRDRWAWUOT-UHFFFAOYSA-N 1 3 327.266 2.555 20 0 EFADHO COCC1(CNCc2c(F)cccc2N2CCCC2)CC[NH2+]CC1 ZINC000414959559 476902472 /nfs/dbraw/zinc/90/24/72/476902472.db2.gz SNLWZOLTWQCXRJ-UHFFFAOYSA-N 1 3 335.467 2.532 20 0 EFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414959239 476902729 /nfs/dbraw/zinc/90/27/29/476902729.db2.gz XCXSYJBRKZBLNC-OAGGEKHMSA-N 1 3 343.471 2.572 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccc(Br)cc2)CCCN1 ZINC000414962528 476903487 /nfs/dbraw/zinc/90/34/87/476903487.db2.gz WHAJINOJTCGTRW-CZUORRHYSA-N 1 3 341.293 2.738 20 0 EFADHO FC(F)(F)[C@H](CNCc1cc2ccccc2s1)N1CC[NH2+]CC1 ZINC000414964831 476905025 /nfs/dbraw/zinc/90/50/25/476905025.db2.gz CLIXXMYZTACVGW-HNNXBMFYSA-N 1 3 343.418 2.827 20 0 EFADHO COCC1(CNCc2csc(-c3ccsc3)n2)CC[NH2+]CC1 ZINC000414963747 476905349 /nfs/dbraw/zinc/90/53/49/476905349.db2.gz XKSMWTAIRITDIR-UHFFFAOYSA-N 1 3 337.514 2.977 20 0 EFADHO Cc1ccc(Br)cc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000423059462 476910309 /nfs/dbraw/zinc/91/03/09/476910309.db2.gz LTUGPPXDPCVWLX-NILFDRSVSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067956 476913229 /nfs/dbraw/zinc/91/32/29/476913229.db2.gz IXHBMYYAAXYLMT-GXFFZTMASA-N 1 3 330.259 2.816 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000430758992 476913285 /nfs/dbraw/zinc/91/32/85/476913285.db2.gz WHDMDWRGFJCBHB-QZTJIDSGSA-N 1 3 333.476 2.863 20 0 EFADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423066493 476913469 /nfs/dbraw/zinc/91/34/69/476913469.db2.gz DVRVDMLYPNFUQN-SLFFLAALSA-N 1 3 341.499 2.585 20 0 EFADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423066494 476913687 /nfs/dbraw/zinc/91/36/87/476913687.db2.gz DVRVDMLYPNFUQN-VAMGGRTRSA-N 1 3 341.499 2.585 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000430761447 476914313 /nfs/dbraw/zinc/91/43/13/476914313.db2.gz MEWDWKPMDBFOSH-UHOSZYNNSA-N 1 3 343.515 2.703 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423072559 476916267 /nfs/dbraw/zinc/91/62/67/476916267.db2.gz JPHXBJZUNVDRTF-JSGCOSHPSA-N 1 3 331.382 2.976 20 0 EFADHO O[C@H]1CCC[C@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000423075314 476916393 /nfs/dbraw/zinc/91/63/93/476916393.db2.gz OFNIAEAFLXJHIT-WSCSCYJOSA-N 1 3 332.463 2.772 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000430780673 476916973 /nfs/dbraw/zinc/91/69/73/476916973.db2.gz OCDXFIBYPJHNIV-IPELMVKDSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000430780673 476916978 /nfs/dbraw/zinc/91/69/78/476916978.db2.gz OCDXFIBYPJHNIV-IPELMVKDSA-N 1 3 329.488 2.703 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423072561 476917525 /nfs/dbraw/zinc/91/75/25/476917525.db2.gz JPHXBJZUNVDRTF-OCCSQVGLSA-N 1 3 331.382 2.976 20 0 EFADHO C[C@@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423079004 476919216 /nfs/dbraw/zinc/91/92/16/476919216.db2.gz XFIZOGNCYRQCEG-VIBAHUMZSA-N 1 3 338.879 2.854 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423079205 476919270 /nfs/dbraw/zinc/91/92/70/476919270.db2.gz XRQLUXAMJLSPRR-QTJFZDIUSA-N 1 3 343.446 2.805 20 0 EFADHO CC[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCC[NH2+]1 ZINC000423076550 476919389 /nfs/dbraw/zinc/91/93/89/476919389.db2.gz RNUYGJOUTKXUAP-QHAWAJNXSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000430802840 476919727 /nfs/dbraw/zinc/91/97/27/476919727.db2.gz OPCXOQGARVWRSX-IEZWGBDMSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000430802840 476919730 /nfs/dbraw/zinc/91/97/30/476919730.db2.gz OPCXOQGARVWRSX-IEZWGBDMSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@](C)(CO)Cc1ccccc1 ZINC000423083001 476920374 /nfs/dbraw/zinc/92/03/74/476920374.db2.gz XZRXYLQLCCOFDQ-IOMROCGXSA-N 1 3 326.484 2.776 20 0 EFADHO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(OCCN(C)C)cc1 ZINC000370661437 476921144 /nfs/dbraw/zinc/92/11/44/476921144.db2.gz FZFYGEDCZGRSTO-YOEHRIQHSA-N 1 3 328.460 2.558 20 0 EFADHO CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423274761 476979820 /nfs/dbraw/zinc/97/98/20/476979820.db2.gz MJFWMJNYJBYYJH-MFKMUULPSA-N 1 3 332.229 2.925 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423083182 476922518 /nfs/dbraw/zinc/92/25/18/476922518.db2.gz FLZINJHKUIELHE-JSGCOSHPSA-N 1 3 329.286 2.533 20 0 EFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423083894 476923087 /nfs/dbraw/zinc/92/30/87/476923087.db2.gz ZKHNCFUAXBIJMX-JSGCOSHPSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423083894 476923093 /nfs/dbraw/zinc/92/30/93/476923093.db2.gz ZKHNCFUAXBIJMX-JSGCOSHPSA-N 1 3 331.382 2.847 20 0 EFADHO CN(c1ccccc1CN1CC([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000366253737 476925436 /nfs/dbraw/zinc/92/54/36/476925436.db2.gz WUISVCKHWQGNOU-GOSISDBHSA-N 1 3 343.515 2.685 20 0 EFADHO Fc1cc(F)cc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423092241 476925915 /nfs/dbraw/zinc/92/59/15/476925915.db2.gz BBNCUYWDMXXMQZ-BHWRABCJSA-N 1 3 336.426 2.958 20 0 EFADHO Cc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1I ZINC000423092629 476926078 /nfs/dbraw/zinc/92/60/78/476926078.db2.gz CTGSGMAHTMFFKQ-GXTWGEPZSA-N 1 3 344.240 2.817 20 0 EFADHO Cc1cc(CN[C@@H](C)C[C@H](C)[NH3+])ccc1I ZINC000423099656 476928115 /nfs/dbraw/zinc/92/81/15/476928115.db2.gz MGDLZCFSXFVINN-QWRGUYRKSA-N 1 3 332.229 2.815 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407304257 476931173 /nfs/dbraw/zinc/93/11/73/476931173.db2.gz CIFIBAWYEYBYEM-YSIASYRMSA-N 1 3 341.499 2.545 20 0 EFADHO Fc1ccc2[nH]cc(CCCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000423109477 476931776 /nfs/dbraw/zinc/93/17/76/476931776.db2.gz HFGVXDZGTIWHTO-QWFCFKBJSA-N 1 3 345.462 2.986 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000423122258 476935605 /nfs/dbraw/zinc/93/56/05/476935605.db2.gz BYQCJVMSDOCDFR-ZXNZYJFHSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000423122925 476936308 /nfs/dbraw/zinc/93/63/08/476936308.db2.gz LPZZSJBBENZKGD-VHKYSDTDSA-N 1 3 325.456 2.666 20 0 EFADHO c1nc(SC2CCCC2)ncc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423140505 476942181 /nfs/dbraw/zinc/94/21/81/476942181.db2.gz YSAHGQVXGQYFBN-XYPWUTKMSA-N 1 3 332.517 2.926 20 0 EFADHO Cn1cc(-c2ncc(CNCCCCC[NH+]3CCCCC3)cn2)cn1 ZINC000366286404 476942446 /nfs/dbraw/zinc/94/24/46/476942446.db2.gz TYLKBARWUGIZGR-UHFFFAOYSA-N 1 3 342.491 2.623 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148631 476943858 /nfs/dbraw/zinc/94/38/58/476943858.db2.gz WFCJHMMQSLJRFR-CJNGLKHVSA-N 1 3 344.908 2.611 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148631 476943866 /nfs/dbraw/zinc/94/38/66/476943866.db2.gz WFCJHMMQSLJRFR-CJNGLKHVSA-N 1 3 344.908 2.611 20 0 EFADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000430948946 476946532 /nfs/dbraw/zinc/94/65/32/476946532.db2.gz MBNIPLQWCCCGEA-UHFFFAOYSA-N 1 3 332.398 2.930 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430950937 476946954 /nfs/dbraw/zinc/94/69/54/476946954.db2.gz SVLUQNPQQCVCFX-KRWDZBQOSA-N 1 3 331.504 2.793 20 0 EFADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@@H](C)CCC[NH3+])CC1 ZINC000423157016 476947892 /nfs/dbraw/zinc/94/78/92/476947892.db2.gz MAKYWNOURFPAOB-INIZCTEOSA-N 1 3 346.471 2.642 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423157038 476947969 /nfs/dbraw/zinc/94/79/69/476947969.db2.gz MGAMYDMPVKHYBB-HUUCEWRRSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000423157038 476947974 /nfs/dbraw/zinc/94/79/74/476947974.db2.gz MGAMYDMPVKHYBB-HUUCEWRRSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC([C@@H](C)[NH3+])CC2)C2CC2)cc1 ZINC000430954102 476949025 /nfs/dbraw/zinc/94/90/25/476949025.db2.gz DLDUOOGWLXWSLN-MRXNPFEDSA-N 1 3 329.488 2.545 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430957873 476949589 /nfs/dbraw/zinc/94/95/89/476949589.db2.gz QLLDQBNTTHFXAI-OWCLPIDISA-N 1 3 331.504 2.874 20 0 EFADHO C[NH2+]CC1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000430964329 476952190 /nfs/dbraw/zinc/95/21/90/476952190.db2.gz DKYCQVVOFAAPAN-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000423172527 476952202 /nfs/dbraw/zinc/95/22/02/476952202.db2.gz UBMCBNAOLAOGGB-CVEARBPZSA-N 1 3 344.908 2.883 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(Br)cc1F ZINC000423176402 476953756 /nfs/dbraw/zinc/95/37/56/476953756.db2.gz CBQAYHVGYVWOSC-LBPRGKRZSA-N 1 3 344.272 2.534 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423181787 476955754 /nfs/dbraw/zinc/95/57/54/476955754.db2.gz JMRRJGCJUVWSPS-OAHLLOKOSA-N 1 3 330.501 2.756 20 0 EFADHO Fc1ccc([C@@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423180038 476956125 /nfs/dbraw/zinc/95/61/25/476956125.db2.gz NHMQLFJUWOBSOP-FQEVSTJZSA-N 1 3 327.447 2.800 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423186949 476957060 /nfs/dbraw/zinc/95/70/60/476957060.db2.gz ORVAKTBYZPJVAG-KRWDZBQOSA-N 1 3 340.471 2.820 20 0 EFADHO Cc1cc(Cl)cc2c1OCCC[C@H]2NCCCN1CC[NH2+]CC1 ZINC000423187510 476957162 /nfs/dbraw/zinc/95/71/62/476957162.db2.gz XYXOSVGYWXBLBE-QGZVFWFLSA-N 1 3 337.895 2.747 20 0 EFADHO Fc1ccc(C(NCCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000423195218 476960692 /nfs/dbraw/zinc/96/06/92/476960692.db2.gz YXENLXGKXZTUTJ-UHFFFAOYSA-N 1 3 345.437 2.939 20 0 EFADHO Cc1cccc([C@@H](NCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423202152 476962427 /nfs/dbraw/zinc/96/24/27/476962427.db2.gz KFLJGCYRQRLKRE-HXUWFJFHSA-N 1 3 327.447 2.718 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415902632 476964099 /nfs/dbraw/zinc/96/40/99/476964099.db2.gz WJRLSVBZRSYVIQ-UHFFFAOYSA-N 1 3 330.476 2.672 20 0 EFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000431035295 476964642 /nfs/dbraw/zinc/96/46/42/476964642.db2.gz RMNABSRDIUILPJ-OAHLLOKOSA-N 1 3 338.455 2.637 20 0 EFADHO Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423210167 476965204 /nfs/dbraw/zinc/96/52/04/476965204.db2.gz WATRZMRYRSILDJ-OAHLLOKOSA-N 1 3 344.528 2.598 20 0 EFADHO CNCc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000415905290 476965506 /nfs/dbraw/zinc/96/55/06/476965506.db2.gz UPEJTFJFBFPZSG-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CC[C@@H](NCCN1CC[NH2+]CC1)c1cc(F)cc(Br)c1 ZINC000423210769 476965856 /nfs/dbraw/zinc/96/58/56/476965856.db2.gz XHUBWPICLDCBHO-OAHLLOKOSA-N 1 3 344.272 2.534 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000415905394 476966419 /nfs/dbraw/zinc/96/64/19/476966419.db2.gz IINLSGQBMCCMEI-SFHVURJKSA-N 1 3 330.476 2.888 20 0 EFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(CN2CCCC2)c1 ZINC000370753723 476968558 /nfs/dbraw/zinc/96/85/58/476968558.db2.gz LIONCKGJLZZTEX-YQQQUEKLSA-N 1 3 327.472 2.767 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000431062647 476968812 /nfs/dbraw/zinc/96/88/12/476968812.db2.gz RYBCEXGRLMFDAL-NSEAXLEKSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000431059384 476969309 /nfs/dbraw/zinc/96/93/09/476969309.db2.gz CAJHMFCCKDDRLE-UWVAXJGDSA-N 1 3 343.515 2.964 20 0 EFADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000370762799 476973059 /nfs/dbraw/zinc/97/30/59/476973059.db2.gz BDXLFPPCTCKAMZ-FQEVSTJZSA-N 1 3 341.499 2.773 20 0 EFADHO NC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000370762799 476973064 /nfs/dbraw/zinc/97/30/64/476973064.db2.gz BDXLFPPCTCKAMZ-FQEVSTJZSA-N 1 3 341.499 2.773 20 0 EFADHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763824 476974221 /nfs/dbraw/zinc/97/42/21/476974221.db2.gz PQMLPNALPRBVOC-SBHAEUEKSA-N 1 3 341.499 2.629 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000447304693 476975085 /nfs/dbraw/zinc/97/50/85/476975085.db2.gz MLCWPHDPJNYSSL-DLBZAZTESA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000447304693 476975089 /nfs/dbraw/zinc/97/50/89/476975089.db2.gz MLCWPHDPJNYSSL-DLBZAZTESA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)nc1 ZINC000447304693 476975095 /nfs/dbraw/zinc/97/50/95/476975095.db2.gz MLCWPHDPJNYSSL-DLBZAZTESA-N 1 3 344.503 2.961 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415933169 476975131 /nfs/dbraw/zinc/97/51/31/476975131.db2.gz FJYHEWVVYMUCIB-UHFFFAOYSA-N 1 3 348.491 2.610 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H](C[NH3+])C1CCCCC1 ZINC000423271827 476980596 /nfs/dbraw/zinc/98/05/96/476980596.db2.gz YFQIUXYHSWFNNN-WMLDXEAASA-N 1 3 333.476 2.910 20 0 EFADHO CCC(N)(CC)C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000423289985 476983186 /nfs/dbraw/zinc/98/31/86/476983186.db2.gz YWKXFXYHZZXMFQ-ZDUSSCGKSA-N 1 3 327.494 2.616 20 0 EFADHO C[C@@H](C[NH3+])CN[C@@H](C)c1ccc(F)c(I)c1 ZINC000423307874 476987870 /nfs/dbraw/zinc/98/78/70/476987870.db2.gz NVNRQHDBYZXAFY-IUCAKERBSA-N 1 3 336.192 2.676 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@H](C)CCN2)cc1 ZINC000423306190 476988409 /nfs/dbraw/zinc/98/84/09/476988409.db2.gz SLABLEXOORLXLG-QAPCUYQASA-N 1 3 333.476 2.734 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000423306572 476988601 /nfs/dbraw/zinc/98/86/01/476988601.db2.gz LVFZIJFPNVDUKW-HNNXBMFYSA-N 1 3 335.517 2.766 20 0 EFADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(I)cc1 ZINC000423315168 476989689 /nfs/dbraw/zinc/98/96/89/476989689.db2.gz IPQPXKCZGWAIDI-TVQRCGJNSA-N 1 3 330.213 2.679 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(I)cc1 ZINC000423315166 476990316 /nfs/dbraw/zinc/99/03/16/476990316.db2.gz IPQPXKCZGWAIDI-NOZJJQNGSA-N 1 3 330.213 2.679 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 ZINC000423315593 476992174 /nfs/dbraw/zinc/99/21/74/476992174.db2.gz JBTUDXDBVPIPQT-AWEZNQCLSA-N 1 3 327.428 2.899 20 0 EFADHO [NH3+]CCCCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000423318923 476992260 /nfs/dbraw/zinc/99/22/60/476992260.db2.gz FBKVWYQYBXYRMP-OAHLLOKOSA-N 1 3 335.249 2.657 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423317366 476992496 /nfs/dbraw/zinc/99/24/96/476992496.db2.gz ATTZBUOJOBXSBP-APWZRJJASA-N 1 3 331.504 2.695 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423324582 476994385 /nfs/dbraw/zinc/99/43/85/476994385.db2.gz IADIHUGEMYNBMZ-IBGZPJMESA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423324583 476996442 /nfs/dbraw/zinc/99/64/42/476996442.db2.gz IADIHUGEMYNBMZ-LJQANCHMSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000423333099 476997074 /nfs/dbraw/zinc/99/70/74/476997074.db2.gz DTARQWQPWJIEJH-KXBFYZLASA-N 1 3 325.456 2.609 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423336252 477000215 /nfs/dbraw/zinc/00/02/15/477000215.db2.gz UJLALHRICDQGBN-AHRSYUTCSA-N 1 3 345.531 2.805 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC000457391786 477001557 /nfs/dbraw/zinc/00/15/57/477001557.db2.gz DFSWXRTYXVNZPR-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H](C)[NH3+] ZINC000423353824 477003520 /nfs/dbraw/zinc/00/35/20/477003520.db2.gz MMNGQKCAJOPKQW-LRDDRELGSA-N 1 3 341.883 2.838 20 0 EFADHO N[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCC1 ZINC000423362386 477004294 /nfs/dbraw/zinc/00/42/94/477004294.db2.gz SYMVKHXJPUCISV-IBGZPJMESA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000423356613 477004823 /nfs/dbraw/zinc/00/48/23/477004823.db2.gz QWONRXJSDVQOSJ-DOMZBBRYSA-N 1 3 339.867 2.607 20 0 EFADHO CCC[NH+]1CCC(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)CC1 ZINC000423361104 477004936 /nfs/dbraw/zinc/00/49/36/477004936.db2.gz WVXOPSKBVNUSBH-GOSISDBHSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H](C)[NH3+] ZINC000423361852 477005459 /nfs/dbraw/zinc/00/54/59/477005459.db2.gz SFVNNRUZXDXTGQ-VYDXJSESSA-N 1 3 337.533 2.696 20 0 EFADHO Cc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000423370991 477008363 /nfs/dbraw/zinc/00/83/63/477008363.db2.gz ACHPMFCZQJOUAV-GDBMZVCRSA-N 1 3 329.410 2.790 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383919 477012578 /nfs/dbraw/zinc/01/25/78/477012578.db2.gz JQLWDJLCMABLTO-FVQBIDKESA-N 1 3 341.421 2.969 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423381589 477012720 /nfs/dbraw/zinc/01/27/20/477012720.db2.gz NTXFFBOHOFXCRV-GPMSIDNRSA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000423396694 477015444 /nfs/dbraw/zinc/01/54/44/477015444.db2.gz SJMVTLPJJXURPE-UHFFFAOYSA-N 1 3 329.488 2.807 20 0 EFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423393772 477016166 /nfs/dbraw/zinc/01/61/66/477016166.db2.gz RHAXTNLKZMGTEN-RISCZKNCSA-N 1 3 335.801 2.827 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580728 477017086 /nfs/dbraw/zinc/01/70/86/477017086.db2.gz RDSRMPSZWDQMTL-MOPGFXCFSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580728 477017095 /nfs/dbraw/zinc/01/70/95/477017095.db2.gz RDSRMPSZWDQMTL-MOPGFXCFSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580728 477017104 /nfs/dbraw/zinc/01/71/04/477017104.db2.gz RDSRMPSZWDQMTL-MOPGFXCFSA-N 1 3 339.568 2.835 20 0 EFADHO CSCC[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447583929 477018627 /nfs/dbraw/zinc/01/86/27/477018627.db2.gz DHUFNPPYBPVBDE-AKHDSKFASA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583929 477018632 /nfs/dbraw/zinc/01/86/32/477018632.db2.gz DHUFNPPYBPVBDE-AKHDSKFASA-N 1 3 334.529 2.886 20 0 EFADHO CSc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403206 477018894 /nfs/dbraw/zinc/01/88/94/477018894.db2.gz ZDDSOVAHPUZVJW-DOMZBBRYSA-N 1 3 347.450 2.895 20 0 EFADHO Cc1cc(C)cc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423401973 477020033 /nfs/dbraw/zinc/02/00/33/477020033.db2.gz XYNCWJKQZBHSRF-GOEBONIOSA-N 1 3 329.410 2.790 20 0 EFADHO Fc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423404664 477020676 /nfs/dbraw/zinc/02/06/76/477020676.db2.gz ZZTXOSQQKWSJGE-HZPDHXFCSA-N 1 3 345.384 2.629 20 0 EFADHO C[C@H](NCCOCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000447600427 477021560 /nfs/dbraw/zinc/02/15/60/477021560.db2.gz MMYUIRCQFRRYCB-NSHDSACASA-N 1 3 333.245 2.817 20 0 EFADHO CCc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403684 477022024 /nfs/dbraw/zinc/02/20/24/477022024.db2.gz ZIDYQEHEBPJHKZ-BBRMVZONSA-N 1 3 329.410 2.736 20 0 EFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)c(F)c1 ZINC000447600426 477022085 /nfs/dbraw/zinc/02/20/85/477022085.db2.gz MMYUIRCQFRRYCB-LLVKDONJSA-N 1 3 333.245 2.817 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420165 477028333 /nfs/dbraw/zinc/02/83/33/477028333.db2.gz BCACACDRQIDZFX-MDZRGWNJSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420165 477028343 /nfs/dbraw/zinc/02/83/43/477028343.db2.gz BCACACDRQIDZFX-MDZRGWNJSA-N 1 3 345.487 2.734 20 0 EFADHO COC[C@]1(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCN1 ZINC000423419356 477028813 /nfs/dbraw/zinc/02/88/13/477028813.db2.gz VXUWJLLDHAHIAJ-QWFCFKBJSA-N 1 3 332.488 2.729 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000423419539 477028874 /nfs/dbraw/zinc/02/88/74/477028874.db2.gz IZTWIURUXXDZJP-RHSMWYFYSA-N 1 3 328.460 2.530 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000423419843 477028880 /nfs/dbraw/zinc/02/88/80/477028880.db2.gz IZTWIURUXXDZJP-WMLDXEAASA-N 1 3 328.460 2.530 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423427922 477029672 /nfs/dbraw/zinc/02/96/72/477029672.db2.gz QTZVZZWRNSYAIC-BRWVUGGUSA-N 1 3 338.517 2.512 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H](C)[NH3+] ZINC000423424750 477030269 /nfs/dbraw/zinc/03/02/69/477030269.db2.gz NOKGOQFJVIRDHV-OTRWWLKZSA-N 1 3 337.533 2.867 20 0 EFADHO Cc1c([C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccccc1 ZINC000423427479 477030380 /nfs/dbraw/zinc/03/03/80/477030380.db2.gz QOYRYJGUCVXDBW-XIRDDKMYSA-N 1 3 327.476 2.991 20 0 EFADHO CSc1ccccc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423451652 477036268 /nfs/dbraw/zinc/03/62/68/477036268.db2.gz IPSJSUFJEAGJCI-NRXGSXMXSA-N 1 3 347.528 2.706 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416156125 477044216 /nfs/dbraw/zinc/04/42/16/477044216.db2.gz AJPMLJQEJSAWQN-PKOBYXMFSA-N 1 3 331.504 2.870 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416156125 477044221 /nfs/dbraw/zinc/04/42/21/477044221.db2.gz AJPMLJQEJSAWQN-PKOBYXMFSA-N 1 3 331.504 2.870 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](N)c2ccccc2CC)[C@H](C)C1 ZINC000423509948 477055415 /nfs/dbraw/zinc/05/54/15/477055415.db2.gz RSSZMMUHDAAUME-UIFIKXQLSA-N 1 3 347.547 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](N)c2ccccc2CC)[C@H](C)C1 ZINC000423509948 477055418 /nfs/dbraw/zinc/05/54/18/477055418.db2.gz RSSZMMUHDAAUME-UIFIKXQLSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452729491 477061330 /nfs/dbraw/zinc/06/13/30/477061330.db2.gz KJJCRTVQDHGBIC-SFHVURJKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452729491 477061336 /nfs/dbraw/zinc/06/13/36/477061336.db2.gz KJJCRTVQDHGBIC-SFHVURJKSA-N 1 3 331.504 2.744 20 0 EFADHO CN(C)[C@H](CC(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000416188395 477062915 /nfs/dbraw/zinc/06/29/15/477062915.db2.gz IJAZJSHEEWFUAY-GOSISDBHSA-N 1 3 329.488 2.766 20 0 EFADHO CN(C)[C@H](CC(=O)N1CCC2(CCC[N@H+]2C)CC1)c1ccccc1 ZINC000416188395 477062920 /nfs/dbraw/zinc/06/29/20/477062920.db2.gz IJAZJSHEEWFUAY-GOSISDBHSA-N 1 3 329.488 2.766 20 0 EFADHO C[N@H+](Cc1ccccc1)C1(CNC(=O)C23CCCN2CCC3)CCC1 ZINC000452733757 477062979 /nfs/dbraw/zinc/06/29/79/477062979.db2.gz SYGKYKVDTPHILY-UHFFFAOYSA-N 1 3 341.499 2.786 20 0 EFADHO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C23CCCN2CCC3)CCC1 ZINC000452733757 477062980 /nfs/dbraw/zinc/06/29/80/477062980.db2.gz SYGKYKVDTPHILY-UHFFFAOYSA-N 1 3 341.499 2.786 20 0 EFADHO FC(F)(F)CCN1CCC(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000423530045 477066297 /nfs/dbraw/zinc/06/62/97/477066297.db2.gz PBSJKGBSGDQDMJ-DLBZAZTESA-N 1 3 341.421 2.748 20 0 EFADHO C[C@H](O)C[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828997 477069357 /nfs/dbraw/zinc/06/93/57/477069357.db2.gz RKNBTEZDKUYSDO-VJANTYMQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](O)C[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828997 477069361 /nfs/dbraw/zinc/06/93/61/477069361.db2.gz RKNBTEZDKUYSDO-VJANTYMQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000431666268 477070736 /nfs/dbraw/zinc/07/07/36/477070736.db2.gz SHZNQLHECYEJHP-FJIDUMEYSA-N 1 3 338.540 2.669 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416225131 477077902 /nfs/dbraw/zinc/07/79/02/477077902.db2.gz RSXGGCVPZGPRRZ-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN(C2CC2)C1 ZINC000416237800 477085032 /nfs/dbraw/zinc/08/50/32/477085032.db2.gz FXBZNWULOGMPQM-LPHOPBHVSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000416244574 477090266 /nfs/dbraw/zinc/09/02/66/477090266.db2.gz QQMQKHVYXYVRAF-ZZJWQFMZSA-N 1 3 329.488 2.763 20 0 EFADHO CN(C)[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000416244574 477090271 /nfs/dbraw/zinc/09/02/71/477090271.db2.gz QQMQKHVYXYVRAF-ZZJWQFMZSA-N 1 3 329.488 2.763 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000431803402 477098466 /nfs/dbraw/zinc/09/84/66/477098466.db2.gz XWQPSVVORAKAKT-MJGOQNOKSA-N 1 3 329.488 2.624 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000447947103 477098863 /nfs/dbraw/zinc/09/88/63/477098863.db2.gz APRMARSBLJBBGS-JKSUJKDBSA-N 1 3 340.556 2.772 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCC(C)CC1 ZINC000447962496 477104186 /nfs/dbraw/zinc/10/41/86/477104186.db2.gz HRIHCIFLDGZDOH-IAGOWNOFSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431852401 477107727 /nfs/dbraw/zinc/10/77/27/477107727.db2.gz WYUUMNARPAUHNB-HKUYNNGSSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431852401 477107732 /nfs/dbraw/zinc/10/77/32/477107732.db2.gz WYUUMNARPAUHNB-HKUYNNGSSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000447974716 477108004 /nfs/dbraw/zinc/10/80/04/477108004.db2.gz FRLOROPMUYRIDU-QGZVFWFLSA-N 1 3 338.540 2.526 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000447989863 477111829 /nfs/dbraw/zinc/11/18/29/477111829.db2.gz PYMPDYFABRICBM-OAHLLOKOSA-N 1 3 338.540 2.715 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431895256 477116097 /nfs/dbraw/zinc/11/60/97/477116097.db2.gz ZUQHUPVIOOGTRV-HXUWFJFHSA-N 1 3 345.531 2.976 20 0 EFADHO C[C@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423712771 477119439 /nfs/dbraw/zinc/11/94/39/477119439.db2.gz OURGYHBXDGXCKW-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000423720907 477122753 /nfs/dbraw/zinc/12/27/53/477122753.db2.gz BAWGKOLNXUEZTF-QGWWYQLQSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000423720907 477122758 /nfs/dbraw/zinc/12/27/58/477122758.db2.gz BAWGKOLNXUEZTF-QGWWYQLQSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000423721228 477123076 /nfs/dbraw/zinc/12/30/76/477123076.db2.gz FGUNLSBOCBSXCS-QGZVFWFLSA-N 1 3 331.504 2.603 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423743166 477130201 /nfs/dbraw/zinc/13/02/01/477130201.db2.gz JSDZVUHRXALSJU-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423744466 477130389 /nfs/dbraw/zinc/13/03/89/477130389.db2.gz LHUWTJCACFHIBD-AZUAARDMSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000423744469 477130969 /nfs/dbraw/zinc/13/09/69/477130969.db2.gz LHUWTJCACFHIBD-QUCCMNQESA-N 1 3 345.531 2.773 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423750161 477132076 /nfs/dbraw/zinc/13/20/76/477132076.db2.gz SSMSKNPHXHSBOQ-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423755831 477135345 /nfs/dbraw/zinc/13/53/45/477135345.db2.gz GEDRKZBTJODAOI-AEFFLSMTSA-N 1 3 335.467 2.624 20 0 EFADHO CC(C)CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)C1CCN(C)CC1 ZINC000423761838 477135984 /nfs/dbraw/zinc/13/59/84/477135984.db2.gz PHGOCNCWGAJDIP-UHFFFAOYSA-N 1 3 343.515 2.567 20 0 EFADHO O=C(C1CC[NH2+]CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763034 477137122 /nfs/dbraw/zinc/13/71/22/477137122.db2.gz TVUGYGBDPSVENK-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccs1)C1CC[NH2+]CC1 ZINC000423768822 477138297 /nfs/dbraw/zinc/13/82/97/477138297.db2.gz DOFSOEJSAQQDAN-HNNXBMFYSA-N 1 3 337.533 2.664 20 0 EFADHO CN(C)C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423772515 477140138 /nfs/dbraw/zinc/14/01/38/477140138.db2.gz LHDAMPMRMRMCSH-KRWDZBQOSA-N 1 3 337.895 2.839 20 0 EFADHO N[C@@H](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000423781641 477141883 /nfs/dbraw/zinc/14/18/83/477141883.db2.gz HXCAUMKUCYTQMM-IBGZPJMESA-N 1 3 338.455 2.504 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423786939 477145075 /nfs/dbraw/zinc/14/50/75/477145075.db2.gz VUEGAZZBTGLPLL-UWVAXJGDSA-N 1 3 343.515 2.649 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCCCC1 ZINC000448261561 477153428 /nfs/dbraw/zinc/15/34/28/477153428.db2.gz QIDNODHJPVDUPB-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453063132 477155633 /nfs/dbraw/zinc/15/56/33/477155633.db2.gz VDGAREZOCMKJJO-VAMGGRTRSA-N 1 3 341.499 2.545 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000453063132 477155640 /nfs/dbraw/zinc/15/56/40/477155640.db2.gz VDGAREZOCMKJJO-VAMGGRTRSA-N 1 3 341.499 2.545 20 0 EFADHO CC[NH+]1CCC(NC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411233828 477162711 /nfs/dbraw/zinc/16/27/11/477162711.db2.gz AQNYAKWQCNKEPO-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@@H](Cc1cnccn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000453089580 477164974 /nfs/dbraw/zinc/16/49/74/477164974.db2.gz OFZPSAMNCPFLCJ-HNNXBMFYSA-N 1 3 330.501 2.971 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748795 477166306 /nfs/dbraw/zinc/16/63/06/477166306.db2.gz SLXRQCFUUJPBSF-LPHOPBHVSA-N 1 3 348.535 2.733 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748795 477166312 /nfs/dbraw/zinc/16/63/12/477166312.db2.gz SLXRQCFUUJPBSF-LPHOPBHVSA-N 1 3 348.535 2.733 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000448437659 477175321 /nfs/dbraw/zinc/17/53/21/477175321.db2.gz QCRVLWUKUBBFJA-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000448437659 477175325 /nfs/dbraw/zinc/17/53/25/477175325.db2.gz QCRVLWUKUBBFJA-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453141703 477176776 /nfs/dbraw/zinc/17/67/76/477176776.db2.gz HMRURYSNKZNIDD-UWHLTILDSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453141703 477176778 /nfs/dbraw/zinc/17/67/78/477176778.db2.gz HMRURYSNKZNIDD-UWHLTILDSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423843027 477179649 /nfs/dbraw/zinc/17/96/49/477179649.db2.gz HZCLQGLFYIUAKL-SUMDDJOVSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411309781 477191642 /nfs/dbraw/zinc/19/16/42/477191642.db2.gz MTCHXJCKTPTQBX-IYBDPMFKSA-N 1 3 337.533 2.897 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423897817 477205059 /nfs/dbraw/zinc/20/50/59/477205059.db2.gz HQSMWIKBBJYKMU-FHWLQOOXSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423897817 477205063 /nfs/dbraw/zinc/20/50/63/477205063.db2.gz HQSMWIKBBJYKMU-FHWLQOOXSA-N 1 3 329.488 2.627 20 0 EFADHO COCCN1CC[C@@H](N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000453338455 477209031 /nfs/dbraw/zinc/20/90/31/477209031.db2.gz BOVVRTXKYAEORV-QGZVFWFLSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423904441 477210669 /nfs/dbraw/zinc/21/06/69/477210669.db2.gz OESZSQCKJKWTSD-AYBZRNKSSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000423904441 477210676 /nfs/dbraw/zinc/21/06/76/477210676.db2.gz OESZSQCKJKWTSD-AYBZRNKSSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910077 477214040 /nfs/dbraw/zinc/21/40/40/477214040.db2.gz UOLHKQNZGOOEAC-QXAKKESOSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427483 477214031 /nfs/dbraw/zinc/21/40/31/477214031.db2.gz YVQKJGAKCXAOAG-AEFFLSMTSA-N 1 3 348.487 2.999 20 0 EFADHO CC[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427483 477214038 /nfs/dbraw/zinc/21/40/38/477214038.db2.gz YVQKJGAKCXAOAG-AEFFLSMTSA-N 1 3 348.487 2.999 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910077 477214049 /nfs/dbraw/zinc/21/40/49/477214049.db2.gz UOLHKQNZGOOEAC-QXAKKESOSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000371283768 477216236 /nfs/dbraw/zinc/21/62/36/477216236.db2.gz LVWZCIJGUVXWJS-RXVVDRJESA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000371283766 477217328 /nfs/dbraw/zinc/21/73/28/477217328.db2.gz LVWZCIJGUVXWJS-GHTZIAJQSA-N 1 3 345.531 2.738 20 0 EFADHO O=C1C[C@]2(CN1)CCCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000411394165 477217873 /nfs/dbraw/zinc/21/78/73/477217873.db2.gz YBBSYIXYFXCYRB-NRFANRHFSA-N 1 3 341.499 2.775 20 0 EFADHO O=C1C[C@]2(CN1)CCC[N@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000411394165 477217883 /nfs/dbraw/zinc/21/78/83/477217883.db2.gz YBBSYIXYFXCYRB-NRFANRHFSA-N 1 3 341.499 2.775 20 0 EFADHO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000411394165 477217890 /nfs/dbraw/zinc/21/78/90/477217890.db2.gz YBBSYIXYFXCYRB-NRFANRHFSA-N 1 3 341.499 2.775 20 0 EFADHO C[C@H]1COCCN(Cc2ccccc2C[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000371296957 477225004 /nfs/dbraw/zinc/22/50/04/477225004.db2.gz FOBCJRQWOPRYEI-HDICACEKSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCCN(Cc2ccccc2C[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000371296957 477225011 /nfs/dbraw/zinc/22/50/11/477225011.db2.gz FOBCJRQWOPRYEI-HDICACEKSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCC[N@@H+](Cc2ccccc2CN2CCOC[C@@H](C)C2)C1 ZINC000371296957 477225014 /nfs/dbraw/zinc/22/50/14/477225014.db2.gz FOBCJRQWOPRYEI-HDICACEKSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCC[N@H+](Cc2ccccc2CN2CCOC[C@@H](C)C2)C1 ZINC000371296957 477225022 /nfs/dbraw/zinc/22/50/22/477225022.db2.gz FOBCJRQWOPRYEI-HDICACEKSA-N 1 3 332.488 2.623 20 0 EFADHO [NH3+]C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000423935734 477225444 /nfs/dbraw/zinc/22/54/44/477225444.db2.gz AXTIXIDUEADYPD-IEBWSBKVSA-N 1 3 347.478 2.671 20 0 EFADHO C[C@@H]1CN(CCSc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303983 477228878 /nfs/dbraw/zinc/22/88/78/477228878.db2.gz QYPXDAXYORZFBK-MJGOQNOKSA-N 1 3 333.545 2.737 20 0 EFADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000411442495 477236523 /nfs/dbraw/zinc/23/65/23/477236523.db2.gz GVBKPAVRLDMYJK-KRWDZBQOSA-N 1 3 337.895 2.981 20 0 EFADHO CC(C)N1CCc2nc(CNCCCC[N@H+](C)C3CC3)sc2C1 ZINC000453599410 477245675 /nfs/dbraw/zinc/24/56/75/477245675.db2.gz RCOLCFNALXYXRB-UHFFFAOYSA-N 1 3 336.549 2.874 20 0 EFADHO CC(C)N1CCc2nc(CNCCCC[N@@H+](C)C3CC3)sc2C1 ZINC000453599410 477245681 /nfs/dbraw/zinc/24/56/81/477245681.db2.gz RCOLCFNALXYXRB-UHFFFAOYSA-N 1 3 336.549 2.874 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000423996975 477253640 /nfs/dbraw/zinc/25/36/40/477253640.db2.gz KUIAARGUGFZIKJ-IEBWSBKVSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000411497324 477257307 /nfs/dbraw/zinc/25/73/07/477257307.db2.gz YXSIFNUSHNBDSU-IAGOWNOFSA-N 1 3 331.504 2.757 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000424011033 477260440 /nfs/dbraw/zinc/26/04/40/477260440.db2.gz YKVJPLPOSCXEHE-MAUKXSAKSA-N 1 3 329.488 2.728 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376274346 477262869 /nfs/dbraw/zinc/26/28/69/477262869.db2.gz LDZQZANAUMFEEK-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411526682 477265197 /nfs/dbraw/zinc/26/51/97/477265197.db2.gz MWRXGCPAFNPWFJ-INIZCTEOSA-N 1 3 343.515 2.817 20 0 EFADHO CC(C)N(C)C(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000411532526 477267332 /nfs/dbraw/zinc/26/73/32/477267332.db2.gz MLJOPZMXOSZFAC-IRXDYDNUSA-N 1 3 331.504 2.599 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1)C1CC1 ZINC000424050665 477274682 /nfs/dbraw/zinc/27/46/82/477274682.db2.gz FEVXWNDGWGDENZ-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411560981 477275901 /nfs/dbraw/zinc/27/59/01/477275901.db2.gz QDARHTRGKPFGHK-VQTJNVASSA-N 1 3 332.488 2.956 20 0 EFADHO CCS[C@@H]1CCCC[C@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411561016 477275969 /nfs/dbraw/zinc/27/59/69/477275969.db2.gz QGKKKAWWLCZXLF-IAGOWNOFSA-N 1 3 341.565 2.629 20 0 EFADHO CC(C)OC[C@H](CO)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634178 477301498 /nfs/dbraw/zinc/30/14/98/477301498.db2.gz KTAMAMPLVUKONJ-FQEVSTJZSA-N 1 3 334.504 2.890 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416785552 477309622 /nfs/dbraw/zinc/30/96/22/477309622.db2.gz LCXIICHHOJUISZ-AEFFLSMTSA-N 1 3 332.492 2.640 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416788211 477311428 /nfs/dbraw/zinc/31/14/28/477311428.db2.gz PYOUNNDYXJZPRS-OALUTQOASA-N 1 3 344.503 2.655 20 0 EFADHO [NH3+]C1(CNC(=O)NC2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000416792578 477312857 /nfs/dbraw/zinc/31/28/57/477312857.db2.gz LWUFFXVCDNKZFU-UHFFFAOYSA-N 1 3 344.503 2.612 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000416802365 477316483 /nfs/dbraw/zinc/31/64/83/477316483.db2.gz HMBSAHLVGZDZJU-SFHVURJKSA-N 1 3 334.508 2.667 20 0 EFADHO COC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCO1 ZINC000411683531 477325946 /nfs/dbraw/zinc/32/59/46/477325946.db2.gz ZKJITEFCAPRTJH-UXHICEINSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@H]([NH3+])CCNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416831989 477328820 /nfs/dbraw/zinc/32/88/20/477328820.db2.gz IBDILTGPABWAGY-GJZGRUSLSA-N 1 3 338.521 2.558 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416834430 477329412 /nfs/dbraw/zinc/32/94/12/477329412.db2.gz DJRRJNSFEQIHQP-AWEZNQCLSA-N 1 3 338.521 2.702 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416834436 477329598 /nfs/dbraw/zinc/32/95/98/477329598.db2.gz DJRRJNSFEQIHQP-CQSZACIVSA-N 1 3 338.521 2.702 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)N(C)C)cc1 ZINC000416838433 477331190 /nfs/dbraw/zinc/33/11/90/477331190.db2.gz JFNQFQOYTYVSKF-IEBWSBKVSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217919 477332981 /nfs/dbraw/zinc/33/29/81/477332981.db2.gz PFKNEJXBSFFVQO-QEUVDIPISA-N 1 3 341.499 2.627 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)N(C)C)cc1 ZINC000416844179 477333079 /nfs/dbraw/zinc/33/30/79/477333079.db2.gz PRAJOVRISFZUQU-IPELMVKDSA-N 1 3 346.519 2.621 20 0 EFADHO CN1CCO[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000411697239 477333229 /nfs/dbraw/zinc/33/32/29/477333229.db2.gz KMICQPANJYOHRS-NHCUHLMSSA-N 1 3 343.515 2.577 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416846811 477335232 /nfs/dbraw/zinc/33/52/32/477335232.db2.gz UNRWSIIWIBIBMB-YTQUADARSA-N 1 3 346.519 2.696 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416849285 477336563 /nfs/dbraw/zinc/33/65/63/477336563.db2.gz XUOSYOPZAWDJNJ-MOPGFXCFSA-N 1 3 346.519 2.901 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435612148 477347401 /nfs/dbraw/zinc/34/74/01/477347401.db2.gz FCOCSCRJAXZQLW-MJGOQNOKSA-N 1 3 329.488 2.644 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000416875460 477347763 /nfs/dbraw/zinc/34/77/63/477347763.db2.gz QUSKVDTVXSGRQL-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CN(CCCN(C)Cc1ccc(-c2ncco2)cc1F)CC[NH+](C)C ZINC000411733597 477348174 /nfs/dbraw/zinc/34/81/74/477348174.db2.gz GMIDHHMIGZRICJ-UHFFFAOYSA-N 1 3 348.466 2.796 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000416878355 477350912 /nfs/dbraw/zinc/35/09/12/477350912.db2.gz VRTJWXUALWKGGO-SFHVURJKSA-N 1 3 334.508 2.523 20 0 EFADHO CCCCNC(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696960 477353489 /nfs/dbraw/zinc/35/34/89/477353489.db2.gz WGKNOOLGIVXVPO-QGZVFWFLSA-N 1 3 349.544 2.999 20 0 EFADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424284677 477354906 /nfs/dbraw/zinc/35/49/06/477354906.db2.gz DNUXDORDVUWJOJ-HUUCEWRRSA-N 1 3 349.906 2.981 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285576 477355495 /nfs/dbraw/zinc/35/54/95/477355495.db2.gz FXCVTHVWQBRAGO-YLJYHZDGSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424296776 477360560 /nfs/dbraw/zinc/36/05/60/477360560.db2.gz SHUQDZGDMWTUIW-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000411767081 477361053 /nfs/dbraw/zinc/36/10/53/477361053.db2.gz DTOLYZSYDBJDDB-OAHLLOKOSA-N 1 3 329.488 2.815 20 0 EFADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1Cl ZINC000424300540 477361733 /nfs/dbraw/zinc/36/17/33/477361733.db2.gz WPLQJMRAEZVPNF-GJZGRUSLSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301182 477364055 /nfs/dbraw/zinc/36/40/55/477364055.db2.gz XJTZBUXYIJJOHP-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)NCCCC1CCCCC1)CC[NH2+]CC2 ZINC000424301536 477364121 /nfs/dbraw/zinc/36/41/21/477364121.db2.gz XOSDDKGHSXIWDI-KRWDZBQOSA-N 1 3 335.536 2.927 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000376504775 477367931 /nfs/dbraw/zinc/36/79/31/477367931.db2.gz FGZHOAOBLKUDNR-GVDBMIGSSA-N 1 3 340.508 2.539 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370016 477375201 /nfs/dbraw/zinc/37/52/01/477375201.db2.gz FYLGDDZVJVIVBT-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370016 477375207 /nfs/dbraw/zinc/37/52/07/477375207.db2.gz FYLGDDZVJVIVBT-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2N)ccc1OCC(F)(F)F ZINC000424366021 477379272 /nfs/dbraw/zinc/37/92/72/477379272.db2.gz IFUDRIQWGXETBV-CHWSQXEVSA-N 1 3 332.366 2.996 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000376553268 477397490 /nfs/dbraw/zinc/39/74/90/477397490.db2.gz MLLMEHFWHQGCBN-UYAOXDASSA-N 1 3 330.520 2.881 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000376553268 477397493 /nfs/dbraw/zinc/39/74/93/477397493.db2.gz MLLMEHFWHQGCBN-UYAOXDASSA-N 1 3 330.520 2.881 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000416975520 477400530 /nfs/dbraw/zinc/40/05/30/477400530.db2.gz MZOYNLXNENQJRK-UHFFFAOYSA-N 1 3 346.519 2.586 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000424426586 477402497 /nfs/dbraw/zinc/40/24/97/477402497.db2.gz AOIJRHZGULEURI-UHFFFAOYSA-N 1 3 330.476 2.982 20 0 EFADHO COc1cc(C)ccc1CN1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000449035137 477403142 /nfs/dbraw/zinc/40/31/42/477403142.db2.gz FSPPHFIDAWTFEP-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000416985024 477405886 /nfs/dbraw/zinc/40/58/86/477405886.db2.gz YIUZJZPNHLMMDG-IBGZPJMESA-N 1 3 346.519 2.632 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000424445296 477410056 /nfs/dbraw/zinc/41/00/56/477410056.db2.gz OJMUZIGXPQMMSD-UHFFFAOYSA-N 1 3 326.444 2.707 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000424444789 477410987 /nfs/dbraw/zinc/41/09/87/477410987.db2.gz NLHGINKBKNCWDI-SFHVURJKSA-N 1 3 326.444 2.878 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000449057787 477415537 /nfs/dbraw/zinc/41/55/37/477415537.db2.gz DZIHIXFNZKHTRA-IBGZPJMESA-N 1 3 344.499 2.835 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417011385 477421016 /nfs/dbraw/zinc/42/10/16/477421016.db2.gz RXANJSYXORVGHE-HZPDHXFCSA-N 1 3 338.521 2.572 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000417011384 477421484 /nfs/dbraw/zinc/42/14/84/477421484.db2.gz RXANJSYXORVGHE-CVEARBPZSA-N 1 3 338.521 2.572 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccsc1 ZINC000417012560 477422566 /nfs/dbraw/zinc/42/25/66/477422566.db2.gz XEPJIAANTDFGNK-OFQRWUPVSA-N 1 3 338.521 2.510 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449075236 477424009 /nfs/dbraw/zinc/42/40/09/477424009.db2.gz DLILAYXIIRTXBI-GOSISDBHSA-N 1 3 333.520 2.837 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000417014111 477424149 /nfs/dbraw/zinc/42/41/49/477424149.db2.gz ZLAYGBHQKOBZQL-JKSUJKDBSA-N 1 3 340.537 2.804 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2cccc(S(C)(=O)=O)c2)C1 ZINC000449081785 477427175 /nfs/dbraw/zinc/42/71/75/477427175.db2.gz HWAPHRMZCMWGCO-INIZCTEOSA-N 1 3 338.517 2.692 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cccc(S(C)(=O)=O)c2)C1 ZINC000449081785 477427185 /nfs/dbraw/zinc/42/71/85/477427185.db2.gz HWAPHRMZCMWGCO-INIZCTEOSA-N 1 3 338.517 2.692 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417030050 477432190 /nfs/dbraw/zinc/43/21/90/477432190.db2.gz PIKPSOSMDJRONF-QZTJIDSGSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](CNC[C@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000449088387 477433168 /nfs/dbraw/zinc/43/31/68/477433168.db2.gz HZMZYLJFOZMIGU-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCC1 ZINC000449088387 477433177 /nfs/dbraw/zinc/43/31/77/477433177.db2.gz HZMZYLJFOZMIGU-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092342 477434329 /nfs/dbraw/zinc/43/43/29/477434329.db2.gz LNCRHLVLPPIMLY-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092342 477434338 /nfs/dbraw/zinc/43/43/38/477434338.db2.gz LNCRHLVLPPIMLY-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092342 477434349 /nfs/dbraw/zinc/43/43/49/477434349.db2.gz LNCRHLVLPPIMLY-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417050173 477441865 /nfs/dbraw/zinc/44/18/65/477441865.db2.gz WCRPWYGBCKRGKS-LMMKCTJWSA-N 1 3 346.519 2.744 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105869 477441829 /nfs/dbraw/zinc/44/18/29/477441829.db2.gz JOMDAJVMHNWDII-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105869 477441834 /nfs/dbraw/zinc/44/18/34/477441834.db2.gz JOMDAJVMHNWDII-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105869 477441840 /nfs/dbraw/zinc/44/18/40/477441840.db2.gz JOMDAJVMHNWDII-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376658044 477447967 /nfs/dbraw/zinc/44/79/67/477447967.db2.gz ILVZVLMXNZCETM-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000376658044 477447974 /nfs/dbraw/zinc/44/79/74/477447974.db2.gz ILVZVLMXNZCETM-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245864 477449195 /nfs/dbraw/zinc/44/91/95/477449195.db2.gz ZJLRQQDSZXTIEM-APWZRJJASA-N 1 3 346.519 2.841 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245864 477449206 /nfs/dbraw/zinc/44/92/06/477449206.db2.gz ZJLRQQDSZXTIEM-APWZRJJASA-N 1 3 346.519 2.841 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417224708 477449244 /nfs/dbraw/zinc/44/92/44/477449244.db2.gz VUSCXXPFTBAYMU-KBAYOESNSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000454972721 477450322 /nfs/dbraw/zinc/45/03/22/477450322.db2.gz BBKGLVBILHBHGJ-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000454972721 477450326 /nfs/dbraw/zinc/45/03/26/477450326.db2.gz BBKGLVBILHBHGJ-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376669141 477452559 /nfs/dbraw/zinc/45/25/59/477452559.db2.gz BITGWNSTAOMDBE-AZUAARDMSA-N 1 3 328.504 2.681 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436313283 477460491 /nfs/dbraw/zinc/46/04/91/477460491.db2.gz LPCAWOUGQQPPRN-RBUKOAKNSA-N 1 3 331.435 2.774 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000449161084 477463255 /nfs/dbraw/zinc/46/32/55/477463255.db2.gz DPMKCXYTHWBPTQ-CRAIPNDOSA-N 1 3 346.519 2.747 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449165596 477467051 /nfs/dbraw/zinc/46/70/51/477467051.db2.gz AITBDOGLHGIONY-RYRKJORJSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449165596 477467056 /nfs/dbraw/zinc/46/70/56/477467056.db2.gz AITBDOGLHGIONY-RYRKJORJSA-N 1 3 329.488 2.544 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418463041 477474948 /nfs/dbraw/zinc/47/49/48/477474948.db2.gz KQOSQYNUVLHWCV-PKOBYXMFSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(C(=O)NC[C@H](C)C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418485340 477475723 /nfs/dbraw/zinc/47/57/23/477475723.db2.gz GYKNFAWKRWUEHP-IEBWSBKVSA-N 1 3 346.519 2.667 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418591260 477479370 /nfs/dbraw/zinc/47/93/70/477479370.db2.gz ULMQWHPCARZHQW-XHSDSOJGSA-N 1 3 338.883 2.512 20 0 EFADHO CC1(C)CCCN(CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418672717 477482152 /nfs/dbraw/zinc/48/21/52/477482152.db2.gz MTHOQIIKTMAGAR-GOSISDBHSA-N 1 3 346.519 2.888 20 0 EFADHO CCn1nnc(C)c1CNCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449207586 477487470 /nfs/dbraw/zinc/48/74/70/477487470.db2.gz CDMMMSPDXSCIOC-QFBILLFUSA-N 1 3 341.503 2.997 20 0 EFADHO CCn1nnc(C)c1CNCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449207586 477487478 /nfs/dbraw/zinc/48/74/78/477487478.db2.gz CDMMMSPDXSCIOC-QFBILLFUSA-N 1 3 341.503 2.997 20 0 EFADHO COc1cc(F)cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000449230497 477497043 /nfs/dbraw/zinc/49/70/43/477497043.db2.gz ALYJCENDKIFPFL-IBGZPJMESA-N 1 3 344.430 2.691 20 0 EFADHO COc1cc(F)cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000449230497 477497051 /nfs/dbraw/zinc/49/70/51/477497051.db2.gz ALYJCENDKIFPFL-IBGZPJMESA-N 1 3 344.430 2.691 20 0 EFADHO CC(C)COc1ccccc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449300155 477532581 /nfs/dbraw/zinc/53/25/81/477532581.db2.gz CZZGGHOYRFMEML-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449304359 477533772 /nfs/dbraw/zinc/53/37/72/477533772.db2.gz OHIMVRVXIKSACG-MRXNPFEDSA-N 1 3 329.488 2.979 20 0 EFADHO Cc1cccc(CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000449324716 477547211 /nfs/dbraw/zinc/54/72/11/477547211.db2.gz HHCHYZOIAYYXFB-WCRBZPEASA-N 1 3 327.516 2.780 20 0 EFADHO Cc1cccc(CCN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000449324716 477547217 /nfs/dbraw/zinc/54/72/17/477547217.db2.gz HHCHYZOIAYYXFB-WCRBZPEASA-N 1 3 327.516 2.780 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455222838 477552100 /nfs/dbraw/zinc/55/21/00/477552100.db2.gz GNZWOAZCXQFOPJ-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000436718053 477568591 /nfs/dbraw/zinc/56/85/91/477568591.db2.gz CYZMVIOVDONRDN-IBGZPJMESA-N 1 3 341.499 2.770 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000458755684 477577046 /nfs/dbraw/zinc/57/70/46/477577046.db2.gz DISFDJFAQRTSKK-RDJZCZTQSA-N 1 3 334.508 2.626 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001445 477593398 /nfs/dbraw/zinc/59/33/98/477593398.db2.gz DBJRSHRHQUBRRP-IZBJGVDFSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001445 477593402 /nfs/dbraw/zinc/59/34/02/477593402.db2.gz DBJRSHRHQUBRRP-IZBJGVDFSA-N 1 3 341.499 2.592 20 0 EFADHO CN(C)CCN(C(=O)NCCCCC[NH+]1CCCC1)C1CCCC1 ZINC000458834897 477619836 /nfs/dbraw/zinc/61/98/36/477619836.db2.gz AJEWMWOZMDIONM-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296340 477670334 /nfs/dbraw/zinc/67/03/34/477670334.db2.gz DJJWDFHTBVOVIX-UFYCRDLUSA-N 1 3 340.467 2.763 20 0 EFADHO COc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420296340 477670340 /nfs/dbraw/zinc/67/03/40/477670340.db2.gz DJJWDFHTBVOVIX-UFYCRDLUSA-N 1 3 340.467 2.763 20 0 EFADHO CN(CC[C@@H]1CCC[NH2+]C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000420301145 477673919 /nfs/dbraw/zinc/67/39/19/477673919.db2.gz LBXCQHGKOSKLQF-LBPRGKRZSA-N 1 3 342.386 2.838 20 0 EFADHO CC[C@@H](Cc1ccccc1)N(C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420306018 477676843 /nfs/dbraw/zinc/67/68/43/477676843.db2.gz QHSJKSWKUADDRL-ACRUOGEOSA-N 1 3 326.484 2.870 20 0 EFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304972 477677211 /nfs/dbraw/zinc/67/72/11/477677211.db2.gz PBFOYOHPDFYMRS-NXXWWENFSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304972 477677219 /nfs/dbraw/zinc/67/72/19/477677219.db2.gz PBFOYOHPDFYMRS-NXXWWENFSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304972 477677224 /nfs/dbraw/zinc/67/72/24/477677224.db2.gz PBFOYOHPDFYMRS-NXXWWENFSA-N 1 3 342.458 2.934 20 0 EFADHO Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420305825 477678010 /nfs/dbraw/zinc/67/80/10/477678010.db2.gz QAWSBJIAWNSCKK-QMMLZNLJSA-N 1 3 326.484 2.789 20 0 EFADHO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420305825 477678020 /nfs/dbraw/zinc/67/80/20/477678020.db2.gz QAWSBJIAWNSCKK-QMMLZNLJSA-N 1 3 326.484 2.789 20 0 EFADHO Cc1ccc(C[C@@H](C)N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420305825 477678029 /nfs/dbraw/zinc/67/80/29/477678029.db2.gz QAWSBJIAWNSCKK-QMMLZNLJSA-N 1 3 326.484 2.789 20 0 EFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420308464 477679899 /nfs/dbraw/zinc/67/98/99/477679899.db2.gz SHDKIYYRLWLXEO-RHSMWYFYSA-N 1 3 335.879 2.767 20 0 EFADHO Cc1noc(CCCN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000420306986 477680315 /nfs/dbraw/zinc/68/03/15/477680315.db2.gz IEUILPIRSUZSAZ-RBUKOAKNSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)n1 ZINC000420306986 477680321 /nfs/dbraw/zinc/68/03/21/477680321.db2.gz IEUILPIRSUZSAZ-RBUKOAKNSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)n1 ZINC000420306986 477680326 /nfs/dbraw/zinc/68/03/26/477680326.db2.gz IEUILPIRSUZSAZ-RBUKOAKNSA-N 1 3 342.487 2.983 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312440 477684195 /nfs/dbraw/zinc/68/41/95/477684195.db2.gz WZICQNHASITIGX-VNTMZGSJSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312440 477684198 /nfs/dbraw/zinc/68/41/98/477684198.db2.gz WZICQNHASITIGX-VNTMZGSJSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@@H]1C[C@@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C12CCCC2 ZINC000420312440 477684203 /nfs/dbraw/zinc/68/42/03/477684203.db2.gz WZICQNHASITIGX-VNTMZGSJSA-N 1 3 346.515 2.587 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000420313260 477684716 /nfs/dbraw/zinc/68/47/16/477684716.db2.gz XVPYALQTAKUIMR-GIVPXCGWSA-N 1 3 342.458 2.621 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000420313260 477684722 /nfs/dbraw/zinc/68/47/22/477684722.db2.gz XVPYALQTAKUIMR-GIVPXCGWSA-N 1 3 342.458 2.621 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000420313260 477684726 /nfs/dbraw/zinc/68/47/26/477684726.db2.gz XVPYALQTAKUIMR-GIVPXCGWSA-N 1 3 342.458 2.621 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000420315567 477686487 /nfs/dbraw/zinc/68/64/87/477686487.db2.gz RZURFBUCBHKPPT-ZDUSSCGKSA-N 1 3 327.266 2.889 20 0 EFADHO CCCN(CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1OC ZINC000420318846 477687796 /nfs/dbraw/zinc/68/77/96/477687796.db2.gz PAHWBLGBVLRUBU-INIZCTEOSA-N 1 3 333.476 2.735 20 0 EFADHO O=C(CCc1ccccc1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420317107 477689269 /nfs/dbraw/zinc/68/92/69/477689269.db2.gz NDTFWMDBDUOYDV-FQEVSTJZSA-N 1 3 343.515 2.543 20 0 EFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420323662 477692033 /nfs/dbraw/zinc/69/20/33/477692033.db2.gz GPPAPEPCSGNTEZ-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO CCn1cc(C2CCN(C[C@@H](C[NH3+])c3ccc(OC)cc3)CC2)cn1 ZINC000420324944 477694915 /nfs/dbraw/zinc/69/49/15/477694915.db2.gz VXJRWRCUCZNKLC-GOSISDBHSA-N 1 3 342.487 2.834 20 0 EFADHO CCn1cc(C2CC[NH+](C[C@@H](CN)c3ccc(OC)cc3)CC2)cn1 ZINC000420324944 477694921 /nfs/dbraw/zinc/69/49/21/477694921.db2.gz VXJRWRCUCZNKLC-GOSISDBHSA-N 1 3 342.487 2.834 20 0 EFADHO CCN(Cc1ccc2c(c1)OCO2)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420326423 477695598 /nfs/dbraw/zinc/69/55/98/477695598.db2.gz XKUXRIBSRUOXHR-KRWDZBQOSA-N 1 3 342.439 2.988 20 0 EFADHO CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](CN)c1ccc(OC)cc1 ZINC000420326423 477695605 /nfs/dbraw/zinc/69/56/05/477695605.db2.gz XKUXRIBSRUOXHR-KRWDZBQOSA-N 1 3 342.439 2.988 20 0 EFADHO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](CN)c1ccc(OC)cc1 ZINC000420326423 477695610 /nfs/dbraw/zinc/69/56/10/477695610.db2.gz XKUXRIBSRUOXHR-KRWDZBQOSA-N 1 3 342.439 2.988 20 0 EFADHO COc1ccc([C@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420327314 477696355 /nfs/dbraw/zinc/69/63/55/477696355.db2.gz YGASIQIRLHRNAN-YSSFQJQWSA-N 1 3 328.456 2.619 20 0 EFADHO COc1ccc([C@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420327314 477696359 /nfs/dbraw/zinc/69/63/59/477696359.db2.gz YGASIQIRLHRNAN-YSSFQJQWSA-N 1 3 328.456 2.619 20 0 EFADHO CS[C@@H]1C[N@H+](C[C@@H]2CCCCN2C(C)C)C[C@@H]1N1CCCC1 ZINC000450741775 477700737 /nfs/dbraw/zinc/70/07/37/477700737.db2.gz YDOIAAJXIWRSLT-OKZBNKHCSA-N 1 3 325.566 2.761 20 0 EFADHO CS[C@@H]1C[N@@H+](C[C@@H]2CCCCN2C(C)C)C[C@@H]1N1CCCC1 ZINC000450741775 477700743 /nfs/dbraw/zinc/70/07/43/477700743.db2.gz YDOIAAJXIWRSLT-OKZBNKHCSA-N 1 3 325.566 2.761 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C2CC2)CC1 ZINC000420330534 477701030 /nfs/dbraw/zinc/70/10/30/477701030.db2.gz QBERPYFHEGSHBQ-CXUOOODFSA-N 1 3 347.547 2.878 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)CC1 ZINC000420330538 477701107 /nfs/dbraw/zinc/70/11/07/477701107.db2.gz QBERPYFHEGSHBQ-QGLXBCBXSA-N 1 3 347.547 2.878 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2c(F)cccc2Cl)CC1 ZINC000420331866 477702944 /nfs/dbraw/zinc/70/29/44/477702944.db2.gz MPKXBJNJVXLBLV-SJORKVTESA-N 1 3 326.843 2.850 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420332997 477703064 /nfs/dbraw/zinc/70/30/64/477703064.db2.gz DVLRLGDOWAQOFU-CMKODMSKSA-N 1 3 341.499 2.502 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333593 477703665 /nfs/dbraw/zinc/70/36/65/477703665.db2.gz FJQYEZRWMSOOPP-YLJYHZDGSA-N 1 3 343.515 2.506 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334946 477704058 /nfs/dbraw/zinc/70/40/58/477704058.db2.gz GYGNLLVYPQIXGV-BHIYHBOVSA-N 1 3 329.488 2.528 20 0 EFADHO [NH3+]C[C@H]1CN(CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333854 477704536 /nfs/dbraw/zinc/70/45/36/477704536.db2.gz TVQMPKQRZWCFMO-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333854 477704542 /nfs/dbraw/zinc/70/45/42/477704542.db2.gz TVQMPKQRZWCFMO-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333854 477704549 /nfs/dbraw/zinc/70/45/49/477704549.db2.gz TVQMPKQRZWCFMO-HNNXBMFYSA-N 1 3 338.879 2.796 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334422 477705107 /nfs/dbraw/zinc/70/51/07/477705107.db2.gz GIGDDJASQZZGPV-GPMSIDNRSA-N 1 3 345.487 2.734 20 0 EFADHO Cc1cc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)ccc1F ZINC000420335616 477706270 /nfs/dbraw/zinc/70/62/70/477706270.db2.gz LTGFKKNPDJPEOL-GASCZTMLSA-N 1 3 330.407 2.616 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339014 477707045 /nfs/dbraw/zinc/70/70/45/477707045.db2.gz LKYVKMLJEITACM-SVMUCYCZSA-N 1 3 335.536 2.637 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000420337393 477707633 /nfs/dbraw/zinc/70/76/33/477707633.db2.gz JYOXQNQWDWWTJQ-XHSDSOJGSA-N 1 3 333.451 2.783 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339616 477709225 /nfs/dbraw/zinc/70/92/25/477709225.db2.gz MCZSZHFEQBZPSU-SBHAEUEKSA-N 1 3 343.515 2.821 20 0 EFADHO CCC[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340113 477709575 /nfs/dbraw/zinc/70/95/75/477709575.db2.gz MQOISOIZFVDWQX-AQNXPRMDSA-N 1 3 343.515 2.966 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420341945 477711458 /nfs/dbraw/zinc/71/14/58/477711458.db2.gz OYYAICUFGJXUGZ-DYXWJJEUSA-N 1 3 341.499 2.575 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341193 477711622 /nfs/dbraw/zinc/71/16/22/477711622.db2.gz OBGUTEBQANIJIP-UXHICEINSA-N 1 3 343.515 2.745 20 0 EFADHO O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)N(Cc1ccccc1)C1CC1 ZINC000420341317 477711847 /nfs/dbraw/zinc/71/18/47/477711847.db2.gz UPUNRRRLONRXFM-HXUWFJFHSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341011 477711930 /nfs/dbraw/zinc/71/19/30/477711930.db2.gz PQFXIRBHIKQENW-NCOADZHNSA-N 1 3 347.528 2.732 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345795 477713964 /nfs/dbraw/zinc/71/39/64/477713964.db2.gz WRNHMMCNURWESQ-KBAYOESNSA-N 1 3 347.478 2.667 20 0 EFADHO c1ccc2cc(OCCCN3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000420346177 477714077 /nfs/dbraw/zinc/71/40/77/477714077.db2.gz CIUGOPRIPAYHAL-HXUWFJFHSA-N 1 3 339.483 2.588 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346973 477714927 /nfs/dbraw/zinc/71/49/27/477714927.db2.gz ZPBKUBGZYNMHPF-VYDXJSESSA-N 1 3 349.906 2.666 20 0 EFADHO CSc1cccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346629 477715462 /nfs/dbraw/zinc/71/54/62/477715462.db2.gz WXYJIWMLCXVOQL-SOUVJXGZSA-N 1 3 333.501 2.667 20 0 EFADHO CC(C)(C)c1ccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347498 477715865 /nfs/dbraw/zinc/71/58/65/477715865.db2.gz GZPKISHXLWCWSP-IBGZPJMESA-N 1 3 345.531 2.733 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000420346683 477715953 /nfs/dbraw/zinc/71/59/53/477715953.db2.gz XEVXCVGXFBMFRI-QKLQHJQFSA-N 1 3 347.478 2.570 20 0 EFADHO FC(F)(F)c1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420353025 477717831 /nfs/dbraw/zinc/71/78/31/477717831.db2.gz BFJQFXUNJAGYNW-AWEZNQCLSA-N 1 3 327.394 2.827 20 0 EFADHO COC(=O)CCN(CCC1CC[NH2+]CC1)Cc1cccc(F)c1F ZINC000420357550 477718388 /nfs/dbraw/zinc/71/83/88/477718388.db2.gz IDYZTCRBUPSQLV-UHFFFAOYSA-N 1 3 340.414 2.720 20 0 EFADHO C[NH+](C)CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000437579335 477721622 /nfs/dbraw/zinc/72/16/22/477721622.db2.gz HZIBLDSTPCJCBL-UHFFFAOYSA-N 1 3 330.451 2.844 20 0 EFADHO Brc1cccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420365126 477722739 /nfs/dbraw/zinc/72/27/39/477722739.db2.gz DPVZHLGOZKZJJG-CQSZACIVSA-N 1 3 338.293 2.571 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(C3CCCCC3)CC2)cc1 ZINC000420364372 477723807 /nfs/dbraw/zinc/72/38/07/477723807.db2.gz QQMMUTCVXKPBFE-GOSISDBHSA-N 1 3 331.504 2.688 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000420365910 477724969 /nfs/dbraw/zinc/72/49/69/477724969.db2.gz QMWRJEBZLUTMNO-CQSZACIVSA-N 1 3 327.266 2.806 20 0 EFADHO Cc1ccc(S(=O)(=O)CCCN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420370735 477729799 /nfs/dbraw/zinc/72/97/99/477729799.db2.gz PBTPYJAYBXDQCW-SFHVURJKSA-N 1 3 338.517 2.656 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420374248 477730604 /nfs/dbraw/zinc/73/06/04/477730604.db2.gz HGLYQOYZGQXIFJ-QUCCMNQESA-N 1 3 332.488 2.901 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374246 477731524 /nfs/dbraw/zinc/73/15/24/477731524.db2.gz HGLYQOYZGQXIFJ-AZUAARDMSA-N 1 3 332.488 2.901 20 0 EFADHO COC[C@H](Cc1ccccc1)N(C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420377892 477733019 /nfs/dbraw/zinc/73/30/19/477733019.db2.gz SSLRBMSCURYDCN-UXHICEINSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420377892 477733025 /nfs/dbraw/zinc/73/30/25/477733025.db2.gz SSLRBMSCURYDCN-UXHICEINSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420377892 477733026 /nfs/dbraw/zinc/73/30/26/477733026.db2.gz SSLRBMSCURYDCN-UXHICEINSA-N 1 3 342.483 2.927 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420378636 477734729 /nfs/dbraw/zinc/73/47/29/477734729.db2.gz MLECRIJULKAFQG-PMACEKPBSA-N 1 3 348.487 2.682 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000377325151 477740773 /nfs/dbraw/zinc/74/07/73/477740773.db2.gz WXFARWPTHHLQCS-GOSISDBHSA-N 1 3 327.488 2.532 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420390241 477742679 /nfs/dbraw/zinc/74/26/79/477742679.db2.gz ZCPBGNMDLKRRAE-UYAOXDASSA-N 1 3 332.488 2.901 20 0 EFADHO CCc1cccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420390731 477742986 /nfs/dbraw/zinc/74/29/86/477742986.db2.gz ZSGGNRAGOXAAQS-VQTJNVASSA-N 1 3 332.488 2.846 20 0 EFADHO C[C@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420392485 477744554 /nfs/dbraw/zinc/74/45/54/477744554.db2.gz BPUVBNPGSQAERK-GXTWGEPZSA-N 1 3 334.851 2.849 20 0 EFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000420392689 477744597 /nfs/dbraw/zinc/74/45/97/477744597.db2.gz JDAIBYDZZNTVIS-GUYCJALGSA-N 1 3 337.414 2.757 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000420394854 477745732 /nfs/dbraw/zinc/74/57/32/477745732.db2.gz SCJUCIULIQCKPO-CRAIPNDOSA-N 1 3 338.879 2.937 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000437742701 477746397 /nfs/dbraw/zinc/74/63/97/477746397.db2.gz GJLBXSHDHYMZDK-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO C[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000420396442 477747943 /nfs/dbraw/zinc/74/79/43/477747943.db2.gz FEPRCEFXIPGLDK-UXPWSPDFSA-N 1 3 326.484 2.873 20 0 EFADHO Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372334670 477760821 /nfs/dbraw/zinc/76/08/21/477760821.db2.gz WTLUEUQFYOAHIR-UXHICEINSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1cccc(C)c1OCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372334670 477760824 /nfs/dbraw/zinc/76/08/24/477760824.db2.gz WTLUEUQFYOAHIR-UXHICEINSA-N 1 3 345.531 2.640 20 0 EFADHO CN1CC=C(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455839400 477764612 /nfs/dbraw/zinc/76/46/12/477764612.db2.gz CJCSMVXSAHEODE-GOSISDBHSA-N 1 3 328.460 2.619 20 0 EFADHO CC[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427265946 477772179 /nfs/dbraw/zinc/77/21/79/477772179.db2.gz GBRJKTAGKHUWGA-FXAWDEMLSA-N 1 3 343.515 2.719 20 0 EFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc3c(c1)CC[C@H]3[NH+](C)C)CC2 ZINC000455873923 477772663 /nfs/dbraw/zinc/77/26/63/477772663.db2.gz AELUONWZTAILMD-ZIFCJYIRSA-N 1 3 342.487 2.936 20 0 EFADHO CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942144 477788504 /nfs/dbraw/zinc/78/85/04/477788504.db2.gz UPBGELKBBHIQAA-FUHWJXTLSA-N 1 3 330.476 2.841 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000451035351 477798003 /nfs/dbraw/zinc/79/80/03/477798003.db2.gz GRCOKXJDPNIQLB-CTNGQTDRSA-N 1 3 347.547 2.501 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000451035351 477798010 /nfs/dbraw/zinc/79/80/10/477798010.db2.gz GRCOKXJDPNIQLB-CTNGQTDRSA-N 1 3 347.547 2.501 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459312179 477835013 /nfs/dbraw/zinc/83/50/13/477835013.db2.gz NYSQBAAMOYWDKX-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459312179 477835019 /nfs/dbraw/zinc/83/50/19/477835019.db2.gz NYSQBAAMOYWDKX-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000493821199 477843790 /nfs/dbraw/zinc/84/37/90/477843790.db2.gz LTKICMBUBNZOCZ-ICEKFOEVSA-N 1 3 329.488 2.523 20 0 EFADHO CN(C)C/C=C\C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000493821199 477843798 /nfs/dbraw/zinc/84/37/98/477843798.db2.gz LTKICMBUBNZOCZ-ICEKFOEVSA-N 1 3 329.488 2.523 20 0 EFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962688 477860078 /nfs/dbraw/zinc/86/00/78/477860078.db2.gz KUCUDLRKUOPQNJ-GHTZIAJQSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962688 477860087 /nfs/dbraw/zinc/86/00/87/477860087.db2.gz KUCUDLRKUOPQNJ-GHTZIAJQSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000438551543 477861452 /nfs/dbraw/zinc/86/14/52/477861452.db2.gz FCYYZTBAMXHAJO-LMMKCTJWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966206 477864311 /nfs/dbraw/zinc/86/43/11/477864311.db2.gz QOHNJMXYQMXLCE-RXVVDRJESA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966206 477864325 /nfs/dbraw/zinc/86/43/25/477864325.db2.gz QOHNJMXYQMXLCE-RXVVDRJESA-N 1 3 343.515 2.577 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000460892560 477869231 /nfs/dbraw/zinc/86/92/31/477869231.db2.gz HQCDKBCHHCBVBC-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C)ccc3OC)CC2)CC1 ZINC000420974863 477869496 /nfs/dbraw/zinc/86/94/96/477869496.db2.gz FEZVVNSNRFGHOY-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C)ccc3OC)CC2)CC1 ZINC000420974863 477869503 /nfs/dbraw/zinc/86/95/03/477869503.db2.gz FEZVVNSNRFGHOY-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(C)ccc3OC)CC2)CC1 ZINC000420974863 477869510 /nfs/dbraw/zinc/86/95/10/477869510.db2.gz FEZVVNSNRFGHOY-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000461227296 477875142 /nfs/dbraw/zinc/87/51/42/477875142.db2.gz QGIWOOSIGYCTKK-XYJFISCASA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000461227296 477875148 /nfs/dbraw/zinc/87/51/48/477875148.db2.gz QGIWOOSIGYCTKK-XYJFISCASA-N 1 3 334.508 2.706 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471207 477878685 /nfs/dbraw/zinc/87/86/85/477878685.db2.gz AYWPZOBCRRVHGC-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471207 477878690 /nfs/dbraw/zinc/87/86/90/477878690.db2.gz AYWPZOBCRRVHGC-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C(C)=O)cc3)CC2)CC1 ZINC000420985919 477880851 /nfs/dbraw/zinc/88/08/51/477880851.db2.gz XFULQVLZHWCZHN-UHFFFAOYSA-N 1 3 343.515 2.881 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C(C)=O)cc3)CC2)CC1 ZINC000420985919 477880859 /nfs/dbraw/zinc/88/08/59/477880859.db2.gz XFULQVLZHWCZHN-UHFFFAOYSA-N 1 3 343.515 2.881 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000462015550 477892701 /nfs/dbraw/zinc/89/27/01/477892701.db2.gz QKFFHNOXFRTOJI-KRWDZBQOSA-N 1 3 340.556 2.869 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000462015550 477892709 /nfs/dbraw/zinc/89/27/09/477892709.db2.gz QKFFHNOXFRTOJI-KRWDZBQOSA-N 1 3 340.556 2.869 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3ccccc3OC2)C[C@@H](C)O1 ZINC000493977573 477893802 /nfs/dbraw/zinc/89/38/02/477893802.db2.gz OQIPXQFJDZBGNX-LMMKCTJWSA-N 1 3 332.488 2.859 20 0 EFADHO COC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434951 477902557 /nfs/dbraw/zinc/90/25/57/477902557.db2.gz VRSREGOPLBZEGM-IBGZPJMESA-N 1 3 325.456 2.898 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494068089 477915044 /nfs/dbraw/zinc/91/50/44/477915044.db2.gz DUHQJWFTDJKOJD-SOLBZPMBSA-N 1 3 331.504 2.932 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494068087 477915613 /nfs/dbraw/zinc/91/56/13/477915613.db2.gz DUHQJWFTDJKOJD-NUJGCVRESA-N 1 3 331.504 2.932 20 0 EFADHO C[C@H](CN1CCC[C@@H](CCO)CC1)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025170 477915903 /nfs/dbraw/zinc/91/59/03/477915903.db2.gz YAGIUYITNQJMDQ-OWZKRDHZSA-N 1 3 340.552 2.592 20 0 EFADHO C[C@H](CN1CCC[C@@H](CCO)CC1)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421025170 477915912 /nfs/dbraw/zinc/91/59/12/477915912.db2.gz YAGIUYITNQJMDQ-OWZKRDHZSA-N 1 3 340.552 2.592 20 0 EFADHO C[C@@H](CN1CCC[C@H](CCO)CC1)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025170 477915917 /nfs/dbraw/zinc/91/59/17/477915917.db2.gz YAGIUYITNQJMDQ-OWZKRDHZSA-N 1 3 340.552 2.592 20 0 EFADHO C[C@@H](CN1CCC[C@H](CCO)CC1)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025170 477915922 /nfs/dbraw/zinc/91/59/22/477915922.db2.gz YAGIUYITNQJMDQ-OWZKRDHZSA-N 1 3 340.552 2.592 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000494114150 477924566 /nfs/dbraw/zinc/92/45/66/477924566.db2.gz WZZNHLYYLCQVRQ-MRXNPFEDSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000494114150 477924573 /nfs/dbraw/zinc/92/45/73/477924573.db2.gz WZZNHLYYLCQVRQ-MRXNPFEDSA-N 1 3 325.497 2.709 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000463061571 477925207 /nfs/dbraw/zinc/92/52/07/477925207.db2.gz JEJVJYDCGHNQMG-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000463061571 477925212 /nfs/dbraw/zinc/92/52/12/477925212.db2.gz JEJVJYDCGHNQMG-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486938 477931876 /nfs/dbraw/zinc/93/18/76/477931876.db2.gz GOASTSVIHQVEAE-UKAVVXHISA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486938 477931881 /nfs/dbraw/zinc/93/18/81/477931881.db2.gz GOASTSVIHQVEAE-UKAVVXHISA-N 1 3 327.516 2.923 20 0 EFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532492483 477934797 /nfs/dbraw/zinc/93/47/97/477934797.db2.gz BFCDAAMYDKWIKR-OAHLLOKOSA-N 1 3 345.487 2.723 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccs1)C(C)C ZINC000439367990 477969139 /nfs/dbraw/zinc/96/91/39/477969139.db2.gz FPTZYGMOBFRLIU-UHFFFAOYSA-N 1 3 340.537 2.552 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccs1)C(C)C ZINC000439367990 477969145 /nfs/dbraw/zinc/96/91/45/477969145.db2.gz FPTZYGMOBFRLIU-UHFFFAOYSA-N 1 3 340.537 2.552 20 0 EFADHO Cn1c2ccccc2cc(C[NH2+]C2CCN(c3ccncc3)CC2)c1=O ZINC000459553872 477970595 /nfs/dbraw/zinc/97/05/95/477970595.db2.gz CAKNPQQXZXZAHL-UHFFFAOYSA-N 1 3 348.450 2.692 20 0 EFADHO CCOc1cc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1O ZINC000459555959 477972960 /nfs/dbraw/zinc/97/29/60/477972960.db2.gz HGUSFLGOLYFLDI-SFHVURJKSA-N 1 3 349.519 2.639 20 0 EFADHO CCOc1cc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)ccc1O ZINC000459555959 477972967 /nfs/dbraw/zinc/97/29/67/477972967.db2.gz HGUSFLGOLYFLDI-SFHVURJKSA-N 1 3 349.519 2.639 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCCCCC1 ZINC000465435358 477976887 /nfs/dbraw/zinc/97/68/87/477976887.db2.gz AGWDKPIMVLRFQG-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NC1CCCCCC1 ZINC000465435358 477976894 /nfs/dbraw/zinc/97/68/94/477976894.db2.gz AGWDKPIMVLRFQG-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428863516 477999811 /nfs/dbraw/zinc/99/98/11/477999811.db2.gz YAMBMSNIBJHLKK-CQSZACIVSA-N 1 3 337.464 2.762 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428863516 477999819 /nfs/dbraw/zinc/99/98/19/477999819.db2.gz YAMBMSNIBJHLKK-CQSZACIVSA-N 1 3 337.464 2.762 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428948422 478013262 /nfs/dbraw/zinc/01/32/62/478013262.db2.gz STAKQAHIZLRUFJ-CRAIPNDOSA-N 1 3 329.488 2.789 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000517046554 478043330 /nfs/dbraw/zinc/04/33/30/478043330.db2.gz DCHUGJQSXFVKJT-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000494688273 478044596 /nfs/dbraw/zinc/04/45/96/478044596.db2.gz SQPIIFJUNBOLLY-TXPKVOOTSA-N 1 3 331.504 2.764 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000494706090 478051918 /nfs/dbraw/zinc/05/19/18/478051918.db2.gz CVHROBFKRCCFKJ-NVXWUHKLSA-N 1 3 335.467 2.671 20 0 EFADHO CC(C)N1CCc2nc(CNC3CCC([NH+](C)C)CC3)sc2C1 ZINC000421366652 478057545 /nfs/dbraw/zinc/05/75/45/478057545.db2.gz CGCCILDRAJDLRR-UHFFFAOYSA-N 1 3 336.549 2.872 20 0 EFADHO CCc1ncc(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)s1 ZINC000421378783 478064285 /nfs/dbraw/zinc/06/42/85/478064285.db2.gz TVTKIIAFXGSHJU-UHFFFAOYSA-N 1 3 336.549 2.698 20 0 EFADHO CCc1ncc(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)s1 ZINC000421378783 478064288 /nfs/dbraw/zinc/06/42/88/478064288.db2.gz TVTKIIAFXGSHJU-UHFFFAOYSA-N 1 3 336.549 2.698 20 0 EFADHO Cc1c([C@@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000517229803 478067727 /nfs/dbraw/zinc/06/77/27/478067727.db2.gz OXLHLHGORADNEG-OCCSQVGLSA-N 1 3 333.867 2.879 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000440076347 478070369 /nfs/dbraw/zinc/07/03/69/478070369.db2.gz SHXQYXXRWLMOHF-IAGOWNOFSA-N 1 3 340.556 2.725 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000440253162 478096909 /nfs/dbraw/zinc/09/69/09/478096909.db2.gz VHNWXKDFNSEITQ-GOSISDBHSA-N 1 3 348.535 2.879 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000440253162 478096918 /nfs/dbraw/zinc/09/69/18/478096918.db2.gz VHNWXKDFNSEITQ-GOSISDBHSA-N 1 3 348.535 2.879 20 0 EFADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560515375 478102183 /nfs/dbraw/zinc/10/21/83/478102183.db2.gz OAXNLDYPCFOMAE-QXCFHYIPSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000495066271 478116310 /nfs/dbraw/zinc/11/63/10/478116310.db2.gz KDUVBGDTLCWFMW-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000495066271 478116317 /nfs/dbraw/zinc/11/63/17/478116317.db2.gz KDUVBGDTLCWFMW-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000560626342 478120314 /nfs/dbraw/zinc/12/03/14/478120314.db2.gz OQNWSTOFQBSSPM-RBUKOAKNSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H](C[NH3+])C1CC1 ZINC000517892612 478130428 /nfs/dbraw/zinc/13/04/28/478130428.db2.gz ZEOVDFNSAPXCAE-IINYFYTJSA-N 1 3 329.366 2.749 20 0 EFADHO C[C@H]1C[C@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000488331093 478140178 /nfs/dbraw/zinc/14/01/78/478140178.db2.gz IOTFQBWVAMNMLY-PXNSSMCTSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]1C[C@@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000488331091 478140237 /nfs/dbraw/zinc/14/02/37/478140237.db2.gz IOTFQBWVAMNMLY-FXAWDEMLSA-N 1 3 343.515 2.603 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000518169407 478147714 /nfs/dbraw/zinc/14/77/14/478147714.db2.gz WFEPJKFYXCCEDZ-APWZRJJASA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000518169407 478147719 /nfs/dbraw/zinc/14/77/19/478147719.db2.gz WFEPJKFYXCCEDZ-APWZRJJASA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000518169407 478147724 /nfs/dbraw/zinc/14/77/24/478147724.db2.gz WFEPJKFYXCCEDZ-APWZRJJASA-N 1 3 346.515 2.798 20 0 EFADHO C[NH+](C)CCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534343133 478149145 /nfs/dbraw/zinc/14/91/45/478149145.db2.gz CVOHGLVNILUOTA-UHFFFAOYSA-N 1 3 331.439 2.570 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000429551140 478151439 /nfs/dbraw/zinc/15/14/39/478151439.db2.gz WTHBELKDVYMJKR-INIZCTEOSA-N 1 3 325.403 2.710 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000429551140 478151442 /nfs/dbraw/zinc/15/14/42/478151442.db2.gz WTHBELKDVYMJKR-INIZCTEOSA-N 1 3 325.403 2.710 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574403 478163084 /nfs/dbraw/zinc/16/30/84/478163084.db2.gz HFULJCWSWTWSFV-NEWSRXKRSA-N 1 3 343.515 2.601 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574403 478163087 /nfs/dbraw/zinc/16/30/87/478163087.db2.gz HFULJCWSWTWSFV-NEWSRXKRSA-N 1 3 343.515 2.601 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C1CC1 ZINC000429644505 478167199 /nfs/dbraw/zinc/16/71/99/478167199.db2.gz APKFOEDSAJIDIR-MSOLQXFVSA-N 1 3 327.472 2.637 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C3CCC3)CC2)CC1 ZINC000561224796 478168386 /nfs/dbraw/zinc/16/83/86/478168386.db2.gz GICQWFPBRIWLJF-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1C[C@H]([N@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687458 478174231 /nfs/dbraw/zinc/17/42/31/478174231.db2.gz XDSPJZCSWYONDG-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@H]([N@@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687458 478174237 /nfs/dbraw/zinc/17/42/37/478174237.db2.gz XDSPJZCSWYONDG-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@H](N(C)CCN2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000429687458 478174242 /nfs/dbraw/zinc/17/42/42/478174242.db2.gz XDSPJZCSWYONDG-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@H](N(C)CCN2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000429687458 478174249 /nfs/dbraw/zinc/17/42/49/478174249.db2.gz XDSPJZCSWYONDG-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO Clc1ccc(SC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000518535807 478175707 /nfs/dbraw/zinc/17/57/07/478175707.db2.gz QRYWOLTYTCGWHZ-UHFFFAOYSA-N 1 3 339.936 2.802 20 0 EFADHO C[NH+](C)CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000535067744 478195242 /nfs/dbraw/zinc/19/52/42/478195242.db2.gz DNFYTYJYNPLREL-UHFFFAOYSA-N 1 3 342.443 2.579 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000535083022 478197310 /nfs/dbraw/zinc/19/73/10/478197310.db2.gz IKNTUUVDPPFSJC-UHFFFAOYSA-N 1 3 345.466 2.959 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000535083022 478197313 /nfs/dbraw/zinc/19/73/13/478197313.db2.gz IKNTUUVDPPFSJC-UHFFFAOYSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146576 478220800 /nfs/dbraw/zinc/22/08/00/478220800.db2.gz BZBMOMLJLMQJGS-IAGOWNOFSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146576 478220805 /nfs/dbraw/zinc/22/08/05/478220805.db2.gz BZBMOMLJLMQJGS-IAGOWNOFSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146580 478220977 /nfs/dbraw/zinc/22/09/77/478220977.db2.gz BZBMOMLJLMQJGS-IRXDYDNUSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146580 478220982 /nfs/dbraw/zinc/22/09/82/478220982.db2.gz BZBMOMLJLMQJGS-IRXDYDNUSA-N 1 3 348.535 2.519 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344009 478221307 /nfs/dbraw/zinc/22/13/07/478221307.db2.gz MWVVECSFLXTJFL-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344009 478221312 /nfs/dbraw/zinc/22/13/12/478221312.db2.gz MWVVECSFLXTJFL-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000562357038 478237736 /nfs/dbraw/zinc/23/77/36/478237736.db2.gz WZTUNBBBUFHBTB-UHFFFAOYSA-N 1 3 332.492 2.911 20 0 EFADHO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](CCCN2CCCC2)C1 ZINC000495587599 478238342 /nfs/dbraw/zinc/23/83/42/478238342.db2.gz HZSWHCACOGVWTG-SFHVURJKSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCCN2CCCC2)C1 ZINC000495587599 478238344 /nfs/dbraw/zinc/23/83/44/478238344.db2.gz HZSWHCACOGVWTG-SFHVURJKSA-N 1 3 325.497 2.709 20 0 EFADHO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000590659347 478279013 /nfs/dbraw/zinc/27/90/13/478279013.db2.gz FJZNAYRRUGYMMH-MOPGFXCFSA-N 1 3 348.487 2.839 20 0 EFADHO Cn1c2ccc(F)cc2nc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000537060583 478285062 /nfs/dbraw/zinc/28/50/62/478285062.db2.gz JRBQSXUEIWUJJJ-UHFFFAOYSA-N 1 3 330.451 2.719 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000490087020 478311441 /nfs/dbraw/zinc/31/14/41/478311441.db2.gz DIGYBSOSVNMLEH-PKOBYXMFSA-N 1 3 343.515 2.773 20 0 EFADHO C[NH+](C)CCCC1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000537649560 478323551 /nfs/dbraw/zinc/32/35/51/478323551.db2.gz NJNGCKIYIYWOAJ-UHFFFAOYSA-N 1 3 345.466 2.960 20 0 EFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000490375966 478334253 /nfs/dbraw/zinc/33/42/53/478334253.db2.gz QRWMJFLVROIQAK-UYAOXDASSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@@]2(CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000490375966 478334257 /nfs/dbraw/zinc/33/42/57/478334257.db2.gz QRWMJFLVROIQAK-UYAOXDASSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)C2)C1 ZINC000490375954 478334617 /nfs/dbraw/zinc/33/46/17/478334617.db2.gz QRWMJFLVROIQAK-ICSRJNTNSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CC[C@]2(CCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)C2)C1 ZINC000490375954 478334620 /nfs/dbraw/zinc/33/46/20/478334620.db2.gz QRWMJFLVROIQAK-ICSRJNTNSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000537967610 478342272 /nfs/dbraw/zinc/34/22/72/478342272.db2.gz RTJZPWPLACTYIF-IUODEOHRSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000537967610 478342276 /nfs/dbraw/zinc/34/22/76/478342276.db2.gz RTJZPWPLACTYIF-IUODEOHRSA-N 1 3 334.851 2.862 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000490499079 478346065 /nfs/dbraw/zinc/34/60/65/478346065.db2.gz MXAXFWPMGPKHDT-DBVUQKKJSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000490499079 478346070 /nfs/dbraw/zinc/34/60/70/478346070.db2.gz MXAXFWPMGPKHDT-DBVUQKKJSA-N 1 3 345.531 2.802 20 0 EFADHO N[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389196 478349442 /nfs/dbraw/zinc/34/94/42/478349442.db2.gz VYWPUBWNZLIPNK-RBUKOAKNSA-N 1 3 340.471 2.775 20 0 EFADHO [NH3+][C@H]1CCC[C@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389196 478349445 /nfs/dbraw/zinc/34/94/45/478349445.db2.gz VYWPUBWNZLIPNK-RBUKOAKNSA-N 1 3 340.471 2.775 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC(C[NH3+])CC2)N2CCCC2)cc1 ZINC000562796997 478353054 /nfs/dbraw/zinc/35/30/54/478353054.db2.gz NRSKXCVBGBPZGK-IBGZPJMESA-N 1 3 344.503 2.512 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000562803270 478355033 /nfs/dbraw/zinc/35/50/33/478355033.db2.gz QAOZJXWSXPKZPI-KPFFTGBYSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000562811881 478357446 /nfs/dbraw/zinc/35/74/46/478357446.db2.gz VRBYGHAGZZTURN-ZIFCJYIRSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000562811881 478357450 /nfs/dbraw/zinc/35/74/50/478357450.db2.gz VRBYGHAGZZTURN-ZIFCJYIRSA-N 1 3 346.519 2.535 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCCC2 ZINC000538397964 478358094 /nfs/dbraw/zinc/35/80/94/478358094.db2.gz GXFDJYGLGYYPIA-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490697441 478371269 /nfs/dbraw/zinc/37/12/69/478371269.db2.gz XTTHCNHSSSDUCD-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490697441 478371273 /nfs/dbraw/zinc/37/12/73/478371273.db2.gz XTTHCNHSSSDUCD-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000570517554 478377285 /nfs/dbraw/zinc/37/72/85/478377285.db2.gz IJIDCMTZBLLWIO-SFHVURJKSA-N 1 3 338.455 2.652 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891054 478390549 /nfs/dbraw/zinc/39/05/49/478390549.db2.gz JTKAKIVADYTBRI-HOTGVXAUSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891054 478390558 /nfs/dbraw/zinc/39/05/58/478390558.db2.gz JTKAKIVADYTBRI-HOTGVXAUSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891054 478390564 /nfs/dbraw/zinc/39/05/64/478390564.db2.gz JTKAKIVADYTBRI-HOTGVXAUSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000562958595 478393996 /nfs/dbraw/zinc/39/39/96/478393996.db2.gz AOMVCPSRVYKMSJ-ICBNADEASA-N 1 3 335.536 2.970 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000562987910 478404833 /nfs/dbraw/zinc/40/48/33/478404833.db2.gz UTQOFTLEMSGYML-LJQANCHMSA-N 1 3 346.446 2.807 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccc(F)cc2)c1 ZINC000562987910 478404845 /nfs/dbraw/zinc/40/48/45/478404845.db2.gz UTQOFTLEMSGYML-LJQANCHMSA-N 1 3 346.446 2.807 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000581668214 478416072 /nfs/dbraw/zinc/41/60/72/478416072.db2.gz CQRUOTCNXKXMGJ-DFQSSKMNSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000581668214 478416079 /nfs/dbraw/zinc/41/60/79/478416079.db2.gz CQRUOTCNXKXMGJ-DFQSSKMNSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495927277 478417046 /nfs/dbraw/zinc/41/70/46/478417046.db2.gz IDTDVZZDAIQZAU-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495927277 478417055 /nfs/dbraw/zinc/41/70/55/478417055.db2.gz IDTDVZZDAIQZAU-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000539495169 478418072 /nfs/dbraw/zinc/41/80/72/478418072.db2.gz GLMXTWHLIXSMIW-MOPGFXCFSA-N 1 3 334.504 2.963 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000581724800 478429838 /nfs/dbraw/zinc/42/98/38/478429838.db2.gz YVQVUGZILWOULW-IBGZPJMESA-N 1 3 340.471 2.768 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000563061033 478435192 /nfs/dbraw/zinc/43/51/92/478435192.db2.gz VHGZIRAMQHIBIE-NSHGMRRFSA-N 1 3 345.531 2.821 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000563061033 478435199 /nfs/dbraw/zinc/43/51/99/478435199.db2.gz VHGZIRAMQHIBIE-NSHGMRRFSA-N 1 3 345.531 2.821 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000491086521 478439761 /nfs/dbraw/zinc/43/97/61/478439761.db2.gz UMFDOEBYFKCWDR-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000491086521 478439767 /nfs/dbraw/zinc/43/97/67/478439767.db2.gz UMFDOEBYFKCWDR-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000539825116 478443265 /nfs/dbraw/zinc/44/32/65/478443265.db2.gz MAOVRWBMMSQZPS-GHTZIAJQSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000539825116 478443271 /nfs/dbraw/zinc/44/32/71/478443271.db2.gz MAOVRWBMMSQZPS-GHTZIAJQSA-N 1 3 345.531 2.933 20 0 EFADHO F[C@@]1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCNC1 ZINC000563113350 478451500 /nfs/dbraw/zinc/45/15/00/478451500.db2.gz KJWILFJKMQWEJI-SFHVURJKSA-N 1 3 330.407 2.881 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000581873538 478456636 /nfs/dbraw/zinc/45/66/36/478456636.db2.gz XOEGTQBGWSAKCQ-HOCLYGCPSA-N 1 3 338.521 2.511 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527643138 478458172 /nfs/dbraw/zinc/45/81/72/478458172.db2.gz VZLTUPWMYJRKPS-GOSISDBHSA-N 1 3 336.524 2.565 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000527643970 478458227 /nfs/dbraw/zinc/45/82/27/478458227.db2.gz ZRTMKRJVZVXZTA-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000496026678 478489028 /nfs/dbraw/zinc/48/90/28/478489028.db2.gz OLBANSWTLXOZMC-KLHDSHLOSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000496026678 478489033 /nfs/dbraw/zinc/48/90/33/478489033.db2.gz OLBANSWTLXOZMC-KLHDSHLOSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(NCCCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)OCc1ccccc1 ZINC000496041749 478497931 /nfs/dbraw/zinc/49/79/31/478497931.db2.gz GRATZMRSYXQWMU-DFNIBXOVSA-N 1 3 345.487 2.956 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000563263749 478498911 /nfs/dbraw/zinc/49/89/11/478498911.db2.gz RIHMIABDZNGBMV-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000563263749 478498917 /nfs/dbraw/zinc/49/89/17/478498917.db2.gz RIHMIABDZNGBMV-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC000496064319 478511670 /nfs/dbraw/zinc/51/16/70/478511670.db2.gz UJEXCZNGPBUZAJ-HNNXBMFYSA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@H+](C4CCCC4)C3)C2)C1 ZINC000496064319 478511673 /nfs/dbraw/zinc/51/16/73/478511673.db2.gz UJEXCZNGPBUZAJ-HNNXBMFYSA-N 1 3 349.519 2.992 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000582117293 478515199 /nfs/dbraw/zinc/51/51/99/478515199.db2.gz KYIYJGHVLBWSBA-JKSUJKDBSA-N 1 3 340.895 2.710 20 0 EFADHO CCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000563350107 478525246 /nfs/dbraw/zinc/52/52/46/478525246.db2.gz KZJXKQDNIVHUKO-HUUCEWRRSA-N 1 3 337.533 2.514 20 0 EFADHO CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000563350107 478525254 /nfs/dbraw/zinc/52/52/54/478525254.db2.gz KZJXKQDNIVHUKO-HUUCEWRRSA-N 1 3 337.533 2.514 20 0 EFADHO CC(C)(C)OC(=O)NCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000496089188 478530455 /nfs/dbraw/zinc/53/04/55/478530455.db2.gz KPCOKNVTDFWBBE-UHFFFAOYSA-N 1 3 325.497 2.709 20 0 EFADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)N(C)C ZINC000591429409 478549194 /nfs/dbraw/zinc/54/91/94/478549194.db2.gz DNFDRHNIXXZSPR-IRXDYDNUSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)N(C)C ZINC000591429409 478549198 /nfs/dbraw/zinc/54/91/98/478549198.db2.gz DNFDRHNIXXZSPR-IRXDYDNUSA-N 1 3 347.503 2.620 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000563522605 478578685 /nfs/dbraw/zinc/57/86/85/478578685.db2.gz OWRHJUXLDMBXQZ-HNNXBMFYSA-N 1 3 338.521 2.572 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000563545955 478584366 /nfs/dbraw/zinc/58/43/66/478584366.db2.gz XIDBIWRFPQWFSH-WDSOQIARSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](CCc1ccc(I)cc1)NC[C@H](C)[NH3+] ZINC000591581315 478585399 /nfs/dbraw/zinc/58/53/99/478585399.db2.gz NRWPEIMGMRNSOJ-WDEREUQCSA-N 1 3 332.229 2.549 20 0 EFADHO CCOC(=O)c1oc2c(c1C)[C@@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591581836 478585827 /nfs/dbraw/zinc/58/58/27/478585827.db2.gz YVWDSJCMCXDNAP-DZGCQCFKSA-N 1 3 332.444 2.874 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563562376 478588221 /nfs/dbraw/zinc/58/82/21/478588221.db2.gz WZFOMROQZAMBPT-PKOBYXMFSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000541823819 478592580 /nfs/dbraw/zinc/59/25/80/478592580.db2.gz SZSHIVQQYCQYGR-NVXWUHKLSA-N 1 3 340.556 2.725 20 0 EFADHO CC[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000563592379 478594862 /nfs/dbraw/zinc/59/48/62/478594862.db2.gz FZHTVGBTCRIFRW-SFHVURJKSA-N 1 3 346.519 2.586 20 0 EFADHO CC[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000563592378 478595066 /nfs/dbraw/zinc/59/50/66/478595066.db2.gz FZHTVGBTCRIFRW-GOSISDBHSA-N 1 3 346.519 2.586 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000571433357 478596142 /nfs/dbraw/zinc/59/61/42/478596142.db2.gz ZIVLIKGZOROJIE-WQVCFCJDSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000571433357 478596145 /nfs/dbraw/zinc/59/61/45/478596145.db2.gz ZIVLIKGZOROJIE-WQVCFCJDSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000571437472 478596702 /nfs/dbraw/zinc/59/67/02/478596702.db2.gz XPGSHOAKOGGYHB-XGXHKWSGSA-N 1 3 329.488 2.846 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)/C=C\C[NH+](C)C ZINC000491634478 478607826 /nfs/dbraw/zinc/60/78/26/478607826.db2.gz GSAIUWSMWRRCLS-PLNGDYQASA-N 1 3 333.501 2.600 20 0 EFADHO CC(C)(C)OC(=O)NCC1(C[NH2+]CCCN2CCCCC2)CC1 ZINC000496209281 478612837 /nfs/dbraw/zinc/61/28/37/478612837.db2.gz VCHJBWRTVSYEDD-UHFFFAOYSA-N 1 3 325.497 2.757 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC000563727002 478625477 /nfs/dbraw/zinc/62/54/77/478625477.db2.gz QUJHBYWVEGJBBI-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000582646430 478647702 /nfs/dbraw/zinc/64/77/02/478647702.db2.gz CNUZOYXWVFOSGP-RMFSNUHRSA-N 1 3 345.531 2.870 20 0 EFADHO Fc1ccc([C@@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571754966 478670442 /nfs/dbraw/zinc/67/04/42/478670442.db2.gz BZQWZESYKCSVTN-IRXDYDNUSA-N 1 3 343.450 2.837 20 0 EFADHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000571786600 478677140 /nfs/dbraw/zinc/67/71/40/478677140.db2.gz TUGOTLHLMIOJQZ-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000571786600 478677146 /nfs/dbraw/zinc/67/71/46/478677146.db2.gz TUGOTLHLMIOJQZ-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000582779535 478680731 /nfs/dbraw/zinc/68/07/31/478680731.db2.gz RCZKTHZGPRMNFP-RTWAWAEBSA-N 1 3 347.466 2.909 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000582790730 478687807 /nfs/dbraw/zinc/68/78/07/478687807.db2.gz BZHGIUZOBMRISV-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000582790730 478687813 /nfs/dbraw/zinc/68/78/13/478687813.db2.gz BZHGIUZOBMRISV-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000571875645 478695972 /nfs/dbraw/zinc/69/59/72/478695972.db2.gz UIMFPXXCHOVQEA-QUCCMNQESA-N 1 3 332.488 2.515 20 0 EFADHO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCCNC1 ZINC000571872848 478696383 /nfs/dbraw/zinc/69/63/83/478696383.db2.gz DLYGAAKXMOJFPE-OLZOCXBDSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]C1 ZINC000571872848 478696389 /nfs/dbraw/zinc/69/63/89/478696389.db2.gz DLYGAAKXMOJFPE-OLZOCXBDSA-N 1 3 331.382 2.847 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000571875644 478696740 /nfs/dbraw/zinc/69/67/40/478696740.db2.gz UIMFPXXCHOVQEA-ICSRJNTNSA-N 1 3 332.488 2.515 20 0 EFADHO COc1cc([C@@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000582914023 478718515 /nfs/dbraw/zinc/71/85/15/478718515.db2.gz BDHHCYSSBXILBF-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000491872212 478719088 /nfs/dbraw/zinc/71/90/88/478719088.db2.gz RPOCUQAKVDSDIQ-RWERQFNSSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000491872212 478719101 /nfs/dbraw/zinc/71/91/01/478719101.db2.gz RPOCUQAKVDSDIQ-RWERQFNSSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491880251 478722267 /nfs/dbraw/zinc/72/22/67/478722267.db2.gz CLWBXRGZQLECGZ-XTKXOIQPSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491880251 478722271 /nfs/dbraw/zinc/72/22/71/478722271.db2.gz CLWBXRGZQLECGZ-XTKXOIQPSA-N 1 3 329.488 2.653 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000582958639 478727053 /nfs/dbraw/zinc/72/70/53/478727053.db2.gz KLFKEMWKEUCUME-AQNXPRMDSA-N 1 3 331.504 2.527 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@H](C)[C@@H]3C)CC2)CC1 ZINC000564352460 478731085 /nfs/dbraw/zinc/73/10/85/478731085.db2.gz SHIDBTSFQGSBHM-ULQDDVLXSA-N 1 3 335.536 2.686 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCc2c1cccc2Cl)N1CC[NH2+]CC1 ZINC000583019040 478743467 /nfs/dbraw/zinc/74/34/67/478743467.db2.gz YYVGYCJBBOJJQP-GJZGRUSLSA-N 1 3 347.812 2.753 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498213924 478754076 /nfs/dbraw/zinc/75/40/76/478754076.db2.gz KXNLPQBHOLQSHP-QRFRQXIXSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498213924 478754089 /nfs/dbraw/zinc/75/40/89/478754089.db2.gz KXNLPQBHOLQSHP-QRFRQXIXSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000572114859 478754750 /nfs/dbraw/zinc/75/47/50/478754750.db2.gz LSEFNBNSRXCWHW-RTBURBONSA-N 1 3 334.504 2.897 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498210325 478754872 /nfs/dbraw/zinc/75/48/72/478754872.db2.gz OHGFJRXMXYWDOD-QRQLOZEOSA-N 1 3 331.504 2.921 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498210325 478754879 /nfs/dbraw/zinc/75/48/79/478754879.db2.gz OHGFJRXMXYWDOD-QRQLOZEOSA-N 1 3 331.504 2.921 20 0 EFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1ccc2ccccc2c1 ZINC000572148976 478763746 /nfs/dbraw/zinc/76/37/46/478763746.db2.gz MBPQWVIULKPRON-HXUWFJFHSA-N 1 3 340.467 2.796 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601283733 478764537 /nfs/dbraw/zinc/76/45/37/478764537.db2.gz JNRLQWWOYOBHNT-OALUTQOASA-N 1 3 346.519 2.770 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCN(C)c1ccncc1 ZINC000543714043 478769467 /nfs/dbraw/zinc/76/94/67/478769467.db2.gz HULLCHHAFGQNMP-GOSISDBHSA-N 1 3 332.492 2.535 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CCN(C)c1ccncc1 ZINC000543714043 478769475 /nfs/dbraw/zinc/76/94/75/478769475.db2.gz HULLCHHAFGQNMP-GOSISDBHSA-N 1 3 332.492 2.535 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000583133908 478772827 /nfs/dbraw/zinc/77/28/27/478772827.db2.gz ZSGAFZFGGQJWCS-SFHVURJKSA-N 1 3 332.492 2.511 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCCN3CCCC3=O)C2)s1 ZINC000583148874 478776453 /nfs/dbraw/zinc/77/64/53/478776453.db2.gz RWSIEGRNLAJJEI-QGZVFWFLSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCCN3CCCC3=O)C2)s1 ZINC000583148874 478776455 /nfs/dbraw/zinc/77/64/55/478776455.db2.gz RWSIEGRNLAJJEI-QGZVFWFLSA-N 1 3 349.544 2.823 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNCc2ccccc21 ZINC000564726308 478795593 /nfs/dbraw/zinc/79/55/93/478795593.db2.gz OGMVODZDCWIPIF-DFQSSKMNSA-N 1 3 343.515 2.890 20 0 EFADHO [NH3+]CCC1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000572299451 478800249 /nfs/dbraw/zinc/80/02/49/478800249.db2.gz BGEWOMCWZHXAJL-GOSISDBHSA-N 1 3 347.478 2.625 20 0 EFADHO COC(=O)COc1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000544006534 478803549 /nfs/dbraw/zinc/80/35/49/478803549.db2.gz NBWRJXWBMPCWFM-UHFFFAOYSA-N 1 3 348.487 2.791 20 0 EFADHO COC(=O)COc1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000544006534 478803557 /nfs/dbraw/zinc/80/35/57/478803557.db2.gz NBWRJXWBMPCWFM-UHFFFAOYSA-N 1 3 348.487 2.791 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845777 478828563 /nfs/dbraw/zinc/82/85/63/478828563.db2.gz XUYHGILKABRJCE-BSIFCXSSSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845777 478828574 /nfs/dbraw/zinc/82/85/74/478828574.db2.gz XUYHGILKABRJCE-BSIFCXSSSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845777 478828581 /nfs/dbraw/zinc/82/85/81/478828581.db2.gz XUYHGILKABRJCE-BSIFCXSSSA-N 1 3 344.499 2.515 20 0 EFADHO C[N@H+](C[C@H](O)CNCCCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000564846090 478829530 /nfs/dbraw/zinc/82/95/30/478829530.db2.gz FNOYFWHNDDVVKF-CQSZACIVSA-N 1 3 347.286 2.807 20 0 EFADHO C[N@@H+](C[C@H](O)CNCCCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000564846090 478829534 /nfs/dbraw/zinc/82/95/34/478829534.db2.gz FNOYFWHNDDVVKF-CQSZACIVSA-N 1 3 347.286 2.807 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845779 478829805 /nfs/dbraw/zinc/82/98/05/478829805.db2.gz XUYHGILKABRJCE-OZOXKJRCSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845779 478829809 /nfs/dbraw/zinc/82/98/09/478829809.db2.gz XUYHGILKABRJCE-OZOXKJRCSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845779 478829814 /nfs/dbraw/zinc/82/98/14/478829814.db2.gz XUYHGILKABRJCE-OZOXKJRCSA-N 1 3 344.499 2.515 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000564847994 478830898 /nfs/dbraw/zinc/83/08/98/478830898.db2.gz SEEQQYYUXJKFFO-XLIONFOSSA-N 1 3 342.483 2.901 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2cccc(F)c2F)CCCC1)C1CC1 ZINC000564864147 478838452 /nfs/dbraw/zinc/83/84/52/478838452.db2.gz PAUFWVAIYPUCSY-HNNXBMFYSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2cccc(F)c2F)CCCC1)C1CC1 ZINC000564864147 478838457 /nfs/dbraw/zinc/83/84/57/478838457.db2.gz PAUFWVAIYPUCSY-HNNXBMFYSA-N 1 3 338.442 2.821 20 0 EFADHO C[C@@H](CN1CCC(C[NH+]2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000492129017 478838893 /nfs/dbraw/zinc/83/88/93/478838893.db2.gz CJJVJMHZXUELOJ-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCC[C@H](C)C1 ZINC000572494624 478850995 /nfs/dbraw/zinc/85/09/95/478850995.db2.gz BJDKRPZNHJKJSP-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCC[C@H](C)C1 ZINC000572494624 478851004 /nfs/dbraw/zinc/85/10/04/478851004.db2.gz BJDKRPZNHJKJSP-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)C1CNC1 ZINC000583434766 478851565 /nfs/dbraw/zinc/85/15/65/478851565.db2.gz VAWZYYQTPQXGBA-HNNXBMFYSA-N 1 3 340.471 2.504 20 0 EFADHO C[C@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)C1C[NH2+]C1 ZINC000583434766 478851569 /nfs/dbraw/zinc/85/15/69/478851569.db2.gz VAWZYYQTPQXGBA-HNNXBMFYSA-N 1 3 340.471 2.504 20 0 EFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494739 478851990 /nfs/dbraw/zinc/85/19/90/478851990.db2.gz LNYBVWBQXWWIJS-BZUAXINKSA-N 1 3 344.503 2.820 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000492159344 478852332 /nfs/dbraw/zinc/85/23/32/478852332.db2.gz YLNDWLCSMYLFPY-RHHFQONYSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000492159344 478852340 /nfs/dbraw/zinc/85/23/40/478852340.db2.gz YLNDWLCSMYLFPY-RHHFQONYSA-N 1 3 341.499 2.617 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000572541672 478863843 /nfs/dbraw/zinc/86/38/43/478863843.db2.gz FYVKYPVUZWSETI-UTUOFQBUSA-N 1 3 333.259 2.593 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1C ZINC000505342860 478863950 /nfs/dbraw/zinc/86/39/50/478863950.db2.gz IHYMGAMGZPEGDY-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1C ZINC000505342860 478863954 /nfs/dbraw/zinc/86/39/54/478863954.db2.gz IHYMGAMGZPEGDY-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H](NC(=O)NCc1ccc(C[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000564938966 478865427 /nfs/dbraw/zinc/86/54/27/478865427.db2.gz XDGONTBECQCKKQ-HNAYVOBHSA-N 1 3 340.471 2.636 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000583509918 478869745 /nfs/dbraw/zinc/86/97/45/478869745.db2.gz BAMXALOGBIWKOQ-KFWWJZLASA-N 1 3 346.393 2.596 20 0 EFADHO C[NH+](C)C/C=C\C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000492197480 478870291 /nfs/dbraw/zinc/87/02/91/478870291.db2.gz FPYLWQLTRVKORK-SREVYHEPSA-N 1 3 331.460 2.608 20 0 EFADHO CN(C)C/C=C\C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000492197480 478870301 /nfs/dbraw/zinc/87/03/01/478870301.db2.gz FPYLWQLTRVKORK-SREVYHEPSA-N 1 3 331.460 2.608 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)/C=C/CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000492208806 478876189 /nfs/dbraw/zinc/87/61/89/478876189.db2.gz PFHVMTNGGWLJGF-JWUWVAEESA-N 1 3 329.488 2.521 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)/C=C/CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000492208806 478876192 /nfs/dbraw/zinc/87/61/92/478876192.db2.gz PFHVMTNGGWLJGF-JWUWVAEESA-N 1 3 329.488 2.521 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)c1C ZINC000572632038 478884803 /nfs/dbraw/zinc/88/48/03/478884803.db2.gz QHHVIXWTUUDUDO-IBGZPJMESA-N 1 3 332.488 2.568 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000565038209 478893293 /nfs/dbraw/zinc/89/32/93/478893293.db2.gz LXWSXJMVNRVQRG-OALUTQOASA-N 1 3 344.503 2.535 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000528713777 478894078 /nfs/dbraw/zinc/89/40/78/478894078.db2.gz IQHZZTOOKKJTLR-GJZGRUSLSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@H+]1CCCC[C@@H]1C ZINC000528713777 478894087 /nfs/dbraw/zinc/89/40/87/478894087.db2.gz IQHZZTOOKKJTLR-GJZGRUSLSA-N 1 3 346.475 2.553 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492254827 478894966 /nfs/dbraw/zinc/89/49/66/478894966.db2.gz AQEFCFGDTGMEOF-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528718797 478895288 /nfs/dbraw/zinc/89/52/88/478895288.db2.gz ZBFPZOPMYSJSPK-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528718797 478895295 /nfs/dbraw/zinc/89/52/95/478895295.db2.gz ZBFPZOPMYSJSPK-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO NC[C@@H](C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713199 478902145 /nfs/dbraw/zinc/90/21/45/478902145.db2.gz QIBDXWFHRPTALI-CABCVRRESA-N 1 3 330.407 2.618 20 0 EFADHO NC[C@@H](C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713199 478902148 /nfs/dbraw/zinc/90/21/48/478902148.db2.gz QIBDXWFHRPTALI-CABCVRRESA-N 1 3 330.407 2.618 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000572824647 478927537 /nfs/dbraw/zinc/92/75/37/478927537.db2.gz BNMUBUQDHHHEGQ-FUHWJXTLSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000572824649 478928031 /nfs/dbraw/zinc/92/80/31/478928031.db2.gz BNMUBUQDHHHEGQ-WMZOPIPTSA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000583741243 478930382 /nfs/dbraw/zinc/93/03/82/478930382.db2.gz LDVACCJPXFRUIJ-OAHLLOKOSA-N 1 3 330.476 2.779 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000583741243 478930386 /nfs/dbraw/zinc/93/03/86/478930386.db2.gz LDVACCJPXFRUIJ-OAHLLOKOSA-N 1 3 330.476 2.779 20 0 EFADHO CCN(CCN1CC[NH2+]CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000572842611 478935051 /nfs/dbraw/zinc/93/50/51/478935051.db2.gz NPOUVFWFGXIOAF-CQSZACIVSA-N 1 3 329.410 2.994 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508843372 478942432 /nfs/dbraw/zinc/94/24/32/478942432.db2.gz FCFUINJFQIBZSD-WDSOQIARSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000508843372 478942434 /nfs/dbraw/zinc/94/24/34/478942434.db2.gz FCFUINJFQIBZSD-WDSOQIARSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccc(NC(=O)C2(CN[C@H](C)C3C[NH2+]C3)CCCC2)cc1C ZINC000583806458 478945338 /nfs/dbraw/zinc/94/53/38/478945338.db2.gz HXSAYYRTLWPAAH-MRXNPFEDSA-N 1 3 329.488 3.000 20 0 EFADHO Cc1ccc(NC(=O)C2(C[NH2+][C@H](C)C3CNC3)CCCC2)cc1C ZINC000583806458 478945347 /nfs/dbraw/zinc/94/53/47/478945347.db2.gz HXSAYYRTLWPAAH-MRXNPFEDSA-N 1 3 329.488 3.000 20 0 EFADHO C[C@@H](C[NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000572930012 478951545 /nfs/dbraw/zinc/95/15/45/478951545.db2.gz RATNGULBFPMGEY-HNNXBMFYSA-N 1 3 325.447 2.686 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2ccccc2C(F)(F)F)C1 ZINC000565226637 478956931 /nfs/dbraw/zinc/95/69/31/478956931.db2.gz PQOXZIZYQXTMGK-BPLDGKMQSA-N 1 3 330.394 2.716 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2ccccc2C(F)(F)F)C1 ZINC000565226644 478957783 /nfs/dbraw/zinc/95/77/83/478957783.db2.gz PQOXZIZYQXTMGK-NWANDNLSSA-N 1 3 330.394 2.716 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC[C@H](O)CN(C)C3CC3)c2)CC1 ZINC000572954146 478958552 /nfs/dbraw/zinc/95/85/52/478958552.db2.gz FVVDQGJYNFLZJN-NRFANRHFSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000510240029 478963361 /nfs/dbraw/zinc/96/33/61/478963361.db2.gz UQTHVECDVFPEDF-YSIASYRMSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000510240029 478963371 /nfs/dbraw/zinc/96/33/71/478963371.db2.gz UQTHVECDVFPEDF-YSIASYRMSA-N 1 3 345.531 2.990 20 0 EFADHO CCOCC[C@@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000573005660 478971487 /nfs/dbraw/zinc/97/14/87/478971487.db2.gz XNZKLNYVTFKXSZ-IAGOWNOFSA-N 1 3 340.533 2.598 20 0 EFADHO CCOCC[C@@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000573005660 478971499 /nfs/dbraw/zinc/97/14/99/478971499.db2.gz XNZKLNYVTFKXSZ-IAGOWNOFSA-N 1 3 340.533 2.598 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512104670 478988965 /nfs/dbraw/zinc/98/89/65/478988965.db2.gz HOFQFKYRLQNOQS-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512104670 478988975 /nfs/dbraw/zinc/98/89/75/478988975.db2.gz HOFQFKYRLQNOQS-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000565368812 478991338 /nfs/dbraw/zinc/99/13/38/478991338.db2.gz RUMMAZAGJAQMRI-GOSISDBHSA-N 1 3 346.519 2.626 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000565368812 478991343 /nfs/dbraw/zinc/99/13/43/478991343.db2.gz RUMMAZAGJAQMRI-GOSISDBHSA-N 1 3 346.519 2.626 20 0 EFADHO CCCCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000573105055 478992295 /nfs/dbraw/zinc/99/22/95/478992295.db2.gz HBZXLYGYZQOTHX-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000573126557 478998322 /nfs/dbraw/zinc/99/83/22/478998322.db2.gz VBPZSKMGYZLFKE-APWZRJJASA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512546726 479000371 /nfs/dbraw/zinc/00/03/71/479000371.db2.gz XKKUNDUKJKCIDW-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512546726 479000386 /nfs/dbraw/zinc/00/03/86/479000386.db2.gz XKKUNDUKJKCIDW-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512550463 479001026 /nfs/dbraw/zinc/00/10/26/479001026.db2.gz ICBBMBBQVSUZQC-YTQUADARSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512550463 479001035 /nfs/dbraw/zinc/00/10/35/479001035.db2.gz ICBBMBBQVSUZQC-YTQUADARSA-N 1 3 331.504 2.744 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000584102424 479014688 /nfs/dbraw/zinc/01/46/88/479014688.db2.gz DDHQEVVVYACMGD-IBGZPJMESA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COc1cccc2ccccc21)CN1CCCC1 ZINC000565535738 479029519 /nfs/dbraw/zinc/02/95/19/479029519.db2.gz YXGWCQREMPSTLF-MJGOQNOKSA-N 1 3 342.483 2.901 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000565557870 479035967 /nfs/dbraw/zinc/03/59/67/479035967.db2.gz SZKRJCQSZFGDTE-LPHOPBHVSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000573319645 479039503 /nfs/dbraw/zinc/03/95/03/479039503.db2.gz WKHGOMHBWYVXPT-HRCADAONSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@@H](NC[C@@H](O)COCc1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000565594609 479042317 /nfs/dbraw/zinc/04/23/17/479042317.db2.gz RKWLCSGOWDUHMI-GDBMZVCRSA-N 1 3 342.911 2.783 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)[NH+]1CCC(C)CC1 ZINC000514719822 479054206 /nfs/dbraw/zinc/05/42/06/479054206.db2.gz AUZDEHNFHXGDBS-AWEZNQCLSA-N 1 3 348.466 2.713 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CC(F)(F)F)CC2)CC1 ZINC000573385115 479054739 /nfs/dbraw/zinc/05/47/39/479054739.db2.gz OTJALSBWIYCHQR-ZDUSSCGKSA-N 1 3 349.441 2.640 20 0 EFADHO CN(CCNC(=O)Nc1cccc2c1CC[NH2+]C2)Cc1ccccc1 ZINC000514719827 479054862 /nfs/dbraw/zinc/05/48/62/479054862.db2.gz AYAITZGFIVYVQJ-UHFFFAOYSA-N 1 3 338.455 2.586 20 0 EFADHO C[C@H](CNC(=O)C[C@@H]([NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000514790204 479065616 /nfs/dbraw/zinc/06/56/16/479065616.db2.gz YJCGNNULFHAASN-XLIONFOSSA-N 1 3 339.483 2.583 20 0 EFADHO CCCCN(C)C(=O)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000573498789 479079417 /nfs/dbraw/zinc/07/94/17/479079417.db2.gz MXDGOWMTPUMBOY-UHFFFAOYSA-N 1 3 343.515 2.803 20 0 EFADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000546934253 479081854 /nfs/dbraw/zinc/08/18/54/479081854.db2.gz UPYZKNFBTFQXDL-SESVDKBCSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000546934253 479081859 /nfs/dbraw/zinc/08/18/59/479081859.db2.gz UPYZKNFBTFQXDL-SESVDKBCSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000546934253 479081866 /nfs/dbraw/zinc/08/18/66/479081866.db2.gz UPYZKNFBTFQXDL-SESVDKBCSA-N 1 3 338.499 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000573578585 479098637 /nfs/dbraw/zinc/09/86/37/479098637.db2.gz RLKWNQKECVISLI-QWHCGFSZSA-N 1 3 325.840 2.537 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000573578585 479098645 /nfs/dbraw/zinc/09/86/45/479098645.db2.gz RLKWNQKECVISLI-QWHCGFSZSA-N 1 3 325.840 2.537 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000584339751 479100176 /nfs/dbraw/zinc/10/01/76/479100176.db2.gz RATKJVAGPFVIPH-UHFFFAOYSA-N 1 3 346.475 2.508 20 0 EFADHO CC(C)[NH2+]CCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000573679980 479119672 /nfs/dbraw/zinc/11/96/72/479119672.db2.gz ZDDIUZGLIDAPPX-UHFFFAOYSA-N 1 3 344.503 2.545 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@]34C[NH2+]C[C@@H]3CCCC4)n2)cc1 ZINC000584397961 479120040 /nfs/dbraw/zinc/12/00/40/479120040.db2.gz RUNQUAURDQYRGC-QFBILLFUSA-N 1 3 326.444 2.829 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000515164857 479125854 /nfs/dbraw/zinc/12/58/54/479125854.db2.gz TZBGNASSAKQCCC-ROUUACIJSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000515164857 479125859 /nfs/dbraw/zinc/12/58/59/479125859.db2.gz TZBGNASSAKQCCC-ROUUACIJSA-N 1 3 332.492 2.545 20 0 EFADHO COC(=O)c1ccc(CNC2CCC([NH+]3CCC(C)CC3)CC2)n1C ZINC000602013792 479136845 /nfs/dbraw/zinc/13/68/45/479136845.db2.gz XGSHUJOODXAUDH-UHFFFAOYSA-N 1 3 347.503 2.944 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCOC[C@H]1CCCO1 ZINC000573803041 479147095 /nfs/dbraw/zinc/14/70/95/479147095.db2.gz CBXVNYGLCVHRQD-HBMCJLEFSA-N 1 3 346.515 2.854 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C[C@@H](O)COC(C)C)C2)s1 ZINC000573843186 479157662 /nfs/dbraw/zinc/15/76/62/479157662.db2.gz MEDPTOGGWFPNCL-DLBZAZTESA-N 1 3 340.533 2.596 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H](O)COC(C)C)C2)s1 ZINC000573843186 479157667 /nfs/dbraw/zinc/15/76/67/479157667.db2.gz MEDPTOGGWFPNCL-DLBZAZTESA-N 1 3 340.533 2.596 20 0 EFADHO C[C@@]1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000569694283 479158435 /nfs/dbraw/zinc/15/84/35/479158435.db2.gz GNMVMQDFRIKKDX-UYAOXDASSA-N 1 3 344.503 2.512 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC4(CC4)C3)CC2)CC1 ZINC000569707077 479161102 /nfs/dbraw/zinc/16/11/02/479161102.db2.gz UFSPNIQNVNAXRB-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000569743762 479167621 /nfs/dbraw/zinc/16/76/21/479167621.db2.gz CWMMKTIAEZPGAR-HNNXBMFYSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569842534 479193272 /nfs/dbraw/zinc/19/32/72/479193272.db2.gz RVKVQOCZDBZJRW-XYJFISCASA-N 1 3 334.508 2.568 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000574069895 479210110 /nfs/dbraw/zinc/21/01/10/479210110.db2.gz APGOPJVLFCJHGW-WBVHZDCISA-N 1 3 346.471 2.571 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2C)c1 ZINC000574072235 479210360 /nfs/dbraw/zinc/21/03/60/479210360.db2.gz SBLRKRFGILRVOW-FQEVSTJZSA-N 1 3 342.483 2.976 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2C)c1 ZINC000574072235 479210365 /nfs/dbraw/zinc/21/03/65/479210365.db2.gz SBLRKRFGILRVOW-FQEVSTJZSA-N 1 3 342.483 2.976 20 0 EFADHO c1nc2ccccc2n1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000574307927 479262909 /nfs/dbraw/zinc/26/29/09/479262909.db2.gz JCTIHSUNFXTNMM-GHTZIAJQSA-N 1 3 348.450 2.882 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)cc3)CC2)CC1 ZINC000557433118 479279101 /nfs/dbraw/zinc/27/91/01/479279101.db2.gz MXDKBMCAWMJLNQ-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000557456644 479280322 /nfs/dbraw/zinc/28/03/22/479280322.db2.gz KALZNLHQJRWOFJ-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000557521131 479285704 /nfs/dbraw/zinc/28/57/04/479285704.db2.gz MDFQRPSDFWXDQU-SJORKVTESA-N 1 3 347.503 2.653 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593317673 479291260 /nfs/dbraw/zinc/29/12/60/479291260.db2.gz UUDNZHCBHNRCTD-VKJFTORMSA-N 1 3 334.460 2.576 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])N(CC)CC)cc1 ZINC000574623606 479317756 /nfs/dbraw/zinc/31/77/56/479317756.db2.gz RIBYIDNXMLCECO-GOSISDBHSA-N 1 3 334.508 2.622 20 0 EFADHO COC(=O)C[C@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611273951 479333665 /nfs/dbraw/zinc/33/36/65/479333665.db2.gz JFDSPUUIGKAPRW-GOSISDBHSA-N 1 3 346.471 2.689 20 0 EFADHO C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000603328003 479348068 /nfs/dbraw/zinc/34/80/68/479348068.db2.gz ZHFXUEUGZLFRPW-QGZVFWFLSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000574783860 479348341 /nfs/dbraw/zinc/34/83/41/479348341.db2.gz YJOPKOBZBDVIJU-SFHVURJKSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000574783860 479348346 /nfs/dbraw/zinc/34/83/46/479348346.db2.gz YJOPKOBZBDVIJU-SFHVURJKSA-N 1 3 330.476 2.718 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000586870325 479367122 /nfs/dbraw/zinc/36/71/22/479367122.db2.gz ZMIDDKDLQKIABK-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000586870325 479367128 /nfs/dbraw/zinc/36/71/28/479367128.db2.gz ZMIDDKDLQKIABK-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(I)s1)CN(C)C ZINC000603426368 479382639 /nfs/dbraw/zinc/38/26/39/479382639.db2.gz HUVRUWQCORBNGW-SECBINFHSA-N 1 3 338.258 2.640 20 0 EFADHO CC1(C)CCN(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000574999910 479387958 /nfs/dbraw/zinc/38/79/58/479387958.db2.gz OSCSRZOVDWHBKF-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO c1cc2n(n1)C[C@@H](CNC[C@H]1CCC[N@@H+]1CC1CCCCC1)CN2 ZINC000596691760 479389926 /nfs/dbraw/zinc/38/99/26/479389926.db2.gz WSMGAJSGKFHGJL-ZWKOTPCHSA-N 1 3 331.508 2.559 20 0 EFADHO c1cc2n(n1)C[C@@H](CNC[C@H]1CCC[N@H+]1CC1CCCCC1)CN2 ZINC000596691760 479389930 /nfs/dbraw/zinc/38/99/30/479389930.db2.gz WSMGAJSGKFHGJL-ZWKOTPCHSA-N 1 3 331.508 2.559 20 0 EFADHO CCCc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000596691591 479390324 /nfs/dbraw/zinc/39/03/24/479390324.db2.gz MHQIFEMIIUFUPR-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000575053243 479395598 /nfs/dbraw/zinc/39/55/98/479395598.db2.gz DCGSPIQRPLTAMO-DLVXIWMQSA-N 1 3 332.488 2.514 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000575053243 479395602 /nfs/dbraw/zinc/39/56/02/479395602.db2.gz DCGSPIQRPLTAMO-DLVXIWMQSA-N 1 3 332.488 2.514 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000575053244 479396003 /nfs/dbraw/zinc/39/60/03/479396003.db2.gz DCGSPIQRPLTAMO-LBKNJMOBSA-N 1 3 332.488 2.514 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)CO[C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000575053244 479396014 /nfs/dbraw/zinc/39/60/14/479396014.db2.gz DCGSPIQRPLTAMO-LBKNJMOBSA-N 1 3 332.488 2.514 20 0 EFADHO Cc1sc2ncnc(N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c2c1C ZINC000602613665 479423991 /nfs/dbraw/zinc/42/39/91/479423991.db2.gz JSVOCIGOUSWKMN-CQSZACIVSA-N 1 3 345.516 2.889 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000575355100 479435565 /nfs/dbraw/zinc/43/55/65/479435565.db2.gz XVPOCQRDJLMRGS-SFHVURJKSA-N 1 3 346.519 2.681 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC000575816849 479480634 /nfs/dbraw/zinc/48/06/34/479480634.db2.gz XSQMLKRZSVHLRG-FGTMMUONSA-N 1 3 337.895 2.573 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000575814436 479480654 /nfs/dbraw/zinc/48/06/54/479480654.db2.gz MZNVXHFRFDCREE-IBGZPJMESA-N 1 3 329.488 2.537 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000575814437 479480706 /nfs/dbraw/zinc/48/07/06/479480706.db2.gz MZNVXHFRFDCREE-LJQANCHMSA-N 1 3 329.488 2.537 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000575822291 479481945 /nfs/dbraw/zinc/48/19/45/479481945.db2.gz KNSNMKMEBBJJIC-CQSZACIVSA-N 1 3 331.460 2.789 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604203099 479485813 /nfs/dbraw/zinc/48/58/13/479485813.db2.gz KMUVAPJTIIBMQR-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO CCN1CCN([C@H]2CC[N@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589163267 479488730 /nfs/dbraw/zinc/48/87/30/479488730.db2.gz HOLYKSLKACUKQH-LIMHQNJXSA-N 1 3 335.442 2.690 20 0 EFADHO CCN1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(F)c(F)c3)C2)CC1 ZINC000589163267 479488734 /nfs/dbraw/zinc/48/87/34/479488734.db2.gz HOLYKSLKACUKQH-LIMHQNJXSA-N 1 3 335.442 2.690 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000575981332 479514997 /nfs/dbraw/zinc/51/49/97/479514997.db2.gz HJJMSEYTNHMMKF-KDOFPFPSSA-N 1 3 340.895 2.852 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000618664064 479542510 /nfs/dbraw/zinc/54/25/10/479542510.db2.gz OZONOROUSPRZCT-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000618664064 479542520 /nfs/dbraw/zinc/54/25/20/479542520.db2.gz OZONOROUSPRZCT-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CNCc3ccccc32)CCCCCC1 ZINC000576155946 479552370 /nfs/dbraw/zinc/55/23/70/479552370.db2.gz OJGDBBNGQBIUFS-GOSISDBHSA-N 1 3 329.488 2.644 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)(C)C ZINC000604788892 479571090 /nfs/dbraw/zinc/57/10/90/479571090.db2.gz SUPSXIPWAGQTMC-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CN1C1CC1 ZINC000612106927 479585829 /nfs/dbraw/zinc/58/58/29/479585829.db2.gz SAHXCCUODKRGMO-YVWKXTFCSA-N 1 3 341.499 2.607 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1SC ZINC000597192038 479613539 /nfs/dbraw/zinc/61/35/39/479613539.db2.gz PMENNORCNZYQBG-OTWHNJEPSA-N 1 3 349.544 2.792 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000578865477 479622152 /nfs/dbraw/zinc/62/21/52/479622152.db2.gz QNTZSYUTALGCCX-DWRORGKVSA-N 1 3 346.519 2.807 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875712 479623534 /nfs/dbraw/zinc/62/35/34/479623534.db2.gz XIYJPSAESIDJGA-RDJZCZTQSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875712 479623539 /nfs/dbraw/zinc/62/35/39/479623539.db2.gz XIYJPSAESIDJGA-RDJZCZTQSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875713 479623893 /nfs/dbraw/zinc/62/38/93/479623893.db2.gz XIYJPSAESIDJGA-WBVHZDCISA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875713 479623898 /nfs/dbraw/zinc/62/38/98/479623898.db2.gz XIYJPSAESIDJGA-WBVHZDCISA-N 1 3 337.533 2.677 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618984182 479659057 /nfs/dbraw/zinc/65/90/57/479659057.db2.gz SHMDZDCFSRCNMQ-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618984182 479659062 /nfs/dbraw/zinc/65/90/62/479659062.db2.gz SHMDZDCFSRCNMQ-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000579329994 479686377 /nfs/dbraw/zinc/68/63/77/479686377.db2.gz KLURRWVJXKJLEC-OAHLLOKOSA-N 1 3 330.476 2.528 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000579329994 479686382 /nfs/dbraw/zinc/68/63/82/479686382.db2.gz KLURRWVJXKJLEC-OAHLLOKOSA-N 1 3 330.476 2.528 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000612559717 479692124 /nfs/dbraw/zinc/69/21/24/479692124.db2.gz LMFQWESASORFDA-SFHVURJKSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606686155 479723763 /nfs/dbraw/zinc/72/37/63/479723763.db2.gz UWDBTIYLNRPXPE-DLBZAZTESA-N 1 3 346.519 2.536 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC1CCN(CCc2ccccc2)CC1 ZINC000621641150 479734356 /nfs/dbraw/zinc/73/43/56/479734356.db2.gz BEZUCSFBFMJTDD-LJQANCHMSA-N 1 3 343.515 2.590 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000621642266 479735021 /nfs/dbraw/zinc/73/50/21/479735021.db2.gz JEWGYTJONIVRKT-IRXDYDNUSA-N 1 3 349.544 2.856 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000621642267 479735302 /nfs/dbraw/zinc/73/53/02/479735302.db2.gz JEWGYTJONIVRKT-SJORKVTESA-N 1 3 349.544 2.856 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000621642168 479735383 /nfs/dbraw/zinc/73/53/83/479735383.db2.gz GRPRXADKYYJOFQ-PKOBYXMFSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000621642264 479735704 /nfs/dbraw/zinc/73/57/04/479735704.db2.gz JEWGYTJONIVRKT-DLBZAZTESA-N 1 3 349.544 2.856 20 0 EFADHO CC[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642376 479735980 /nfs/dbraw/zinc/73/59/80/479735980.db2.gz LORVNEQFTXVOBQ-XLIONFOSSA-N 1 3 343.515 2.719 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621643506 479736353 /nfs/dbraw/zinc/73/63/53/479736353.db2.gz HCHUJEQYOVZZSS-MRXNPFEDSA-N 1 3 344.503 2.911 20 0 EFADHO Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000621650152 479737842 /nfs/dbraw/zinc/73/78/42/479737842.db2.gz UULRQIHXHUINMI-INIZCTEOSA-N 1 3 333.476 2.654 20 0 EFADHO CC1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000621681462 479750207 /nfs/dbraw/zinc/75/02/07/479750207.db2.gz SEULKXIIXZDUIF-GHTZIAJQSA-N 1 3 341.499 2.629 20 0 EFADHO C[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000621738121 479776823 /nfs/dbraw/zinc/77/68/23/479776823.db2.gz ZBOXXQUUCXLSHF-PKOBYXMFSA-N 1 3 332.488 2.612 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000621738120 479777827 /nfs/dbraw/zinc/77/78/27/479777827.db2.gz ZBOXXQUUCXLSHF-MJGOQNOKSA-N 1 3 332.488 2.612 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633346490 479780788 /nfs/dbraw/zinc/78/07/88/479780788.db2.gz DBPYWQZPHKCYNT-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CC1CCN([C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612870448 479786478 /nfs/dbraw/zinc/78/64/78/479786478.db2.gz CXYLRJYOKOHEON-QUCCMNQESA-N 1 3 344.503 2.511 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000621773152 479786879 /nfs/dbraw/zinc/78/68/79/479786879.db2.gz HMRURYSNKZNIDD-MHTWAQMVSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000621773152 479786884 /nfs/dbraw/zinc/78/68/84/479786884.db2.gz HMRURYSNKZNIDD-MHTWAQMVSA-N 1 3 341.499 2.640 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000633372020 479795945 /nfs/dbraw/zinc/79/59/45/479795945.db2.gz JLADTJNRQXTNQE-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CN1CCN(c2cc[nH+]c(NCc3cnc(-c4ccccc4)[nH]3)c2)CC1 ZINC000630961769 479804286 /nfs/dbraw/zinc/80/42/86/479804286.db2.gz SVXKHUXYEUAPQN-UHFFFAOYSA-N 1 3 348.454 2.836 20 0 EFADHO CN1CCN(CCCC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628201957 479810379 /nfs/dbraw/zinc/81/03/79/479810379.db2.gz BLENQHSWBFOOOT-UHFFFAOYSA-N 1 3 343.437 2.865 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612971414 479823809 /nfs/dbraw/zinc/82/38/09/479823809.db2.gz OOMLNYSDEKNKFG-WBVHZDCISA-N 1 3 344.503 2.557 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC000631043801 479853980 /nfs/dbraw/zinc/85/39/80/479853980.db2.gz AQBBBRBNQYKQRX-QGZVFWFLSA-N 1 3 331.504 2.986 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631567416 480158943 /nfs/dbraw/zinc/15/89/43/480158943.db2.gz ZTZCGCPARKJDQK-GOSISDBHSA-N 1 3 347.503 2.526 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)N1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631569862 480160126 /nfs/dbraw/zinc/16/01/26/480160126.db2.gz NPTMAIWYDLIOLY-SJLPKXTDSA-N 1 3 349.519 2.771 20 0 EFADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000631581317 480165966 /nfs/dbraw/zinc/16/59/66/480165966.db2.gz LBCPJCAINMIJOZ-QRWLVFNGSA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000617344269 480174735 /nfs/dbraw/zinc/17/47/35/480174735.db2.gz FHZLKQPUXZEFGQ-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CC[N@H+](CCC(=O)Nc1cccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626062937 480182711 /nfs/dbraw/zinc/18/27/11/480182711.db2.gz LXZJZRSVFSGTAF-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO CC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccc(CN(C)C)cc1 ZINC000626062937 480182719 /nfs/dbraw/zinc/18/27/19/480182719.db2.gz LXZJZRSVFSGTAF-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO CCN(CCc1nnn(C(C)(C)C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063713 480184030 /nfs/dbraw/zinc/18/40/30/480184030.db2.gz NDXJEBYDSHCXFG-UHFFFAOYSA-N 1 3 344.507 2.554 20 0 EFADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3ncccc32)C1 ZINC000631616174 480184186 /nfs/dbraw/zinc/18/41/86/480184186.db2.gz GBBCKAANWWDIFP-RXVVDRJESA-N 1 3 337.467 2.815 20 0 EFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3ncccc32)C1 ZINC000631616174 480184187 /nfs/dbraw/zinc/18/41/87/480184187.db2.gz GBBCKAANWWDIFP-RXVVDRJESA-N 1 3 337.467 2.815 20 0 EFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000631624105 480187424 /nfs/dbraw/zinc/18/74/24/480187424.db2.gz BELDMAYFCUWAHB-KRWDZBQOSA-N 1 3 347.503 2.525 20 0 EFADHO CCC1(N2CCOCC2)CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000626089398 480196010 /nfs/dbraw/zinc/19/60/10/480196010.db2.gz OQQBXDCFOUGQMZ-LJQANCHMSA-N 1 3 337.552 2.826 20 0 EFADHO CCC1(N2CCOCC2)CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000626089398 480196014 /nfs/dbraw/zinc/19/60/14/480196014.db2.gz OQQBXDCFOUGQMZ-LJQANCHMSA-N 1 3 337.552 2.826 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000631664163 480205514 /nfs/dbraw/zinc/20/55/14/480205514.db2.gz MGHZXOJQRWYLII-PKOBYXMFSA-N 1 3 327.516 2.971 20 0 EFADHO COC1([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000631664947 480206599 /nfs/dbraw/zinc/20/65/99/480206599.db2.gz SRHFDVNGQIKQLH-CMKODMSKSA-N 1 3 346.515 2.928 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000631721476 480237402 /nfs/dbraw/zinc/23/74/02/480237402.db2.gz YHQSZVVKMSYWKK-XNISGKROSA-N 1 3 330.394 2.798 20 0 EFADHO Clc1ccccc1[C@@H]1CCC[C@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629405723 480245819 /nfs/dbraw/zinc/24/58/19/480245819.db2.gz LYZQMERULKRGCT-UWWQBHOKSA-N 1 3 345.878 2.892 20 0 EFADHO CC1(C)CC(NC(=O)NC[C@@H]2CCN2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000623393625 480263254 /nfs/dbraw/zinc/26/32/54/480263254.db2.gz LWVZEHOKWJYPLZ-INIZCTEOSA-N 1 3 336.524 2.612 20 0 EFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3c(F)ccc(F)c3Cl)C2)CC1 ZINC000623416105 480273209 /nfs/dbraw/zinc/27/32/09/480273209.db2.gz JPMFGWBGYIUQFX-GFCCVEGCSA-N 1 3 343.849 2.876 20 0 EFADHO CN1CCC([N@H+]2CC[C@@H](NCc3c(F)ccc(F)c3Cl)C2)CC1 ZINC000623416105 480273213 /nfs/dbraw/zinc/27/32/13/480273213.db2.gz JPMFGWBGYIUQFX-GFCCVEGCSA-N 1 3 343.849 2.876 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000623453634 480291795 /nfs/dbraw/zinc/29/17/95/480291795.db2.gz YBHOUKSOFQWWNG-IRXDYDNUSA-N 1 3 338.879 2.816 20 0 EFADHO CN(C)CC1(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000614399202 480294295 /nfs/dbraw/zinc/29/42/95/480294295.db2.gz KXEBSIJSKBPTNM-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)CC1(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000614399202 480294302 /nfs/dbraw/zinc/29/43/02/480294302.db2.gz KXEBSIJSKBPTNM-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CO[C@H](CN1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000629547677 480299031 /nfs/dbraw/zinc/29/90/31/480299031.db2.gz LIOPWUUHFAHLIH-WJFTUGDTSA-N 1 3 336.451 2.874 20 0 EFADHO O=C1[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCCCC1 ZINC000629548778 480300936 /nfs/dbraw/zinc/30/09/36/480300936.db2.gz YCGQYOGWKCVUCD-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO Clc1ccc([C@@H]2CC[C@@H](NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)cc1 ZINC000629548633 480301057 /nfs/dbraw/zinc/30/10/57/480301057.db2.gz HTAUVKLDVVBFJK-QGPMSJSTSA-N 1 3 345.878 2.892 20 0 EFADHO O[C@H](CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000629577878 480312936 /nfs/dbraw/zinc/31/29/36/480312936.db2.gz KHTSLDRCOUEVGK-DJIMGWMZSA-N 1 3 342.405 2.998 20 0 EFADHO COC[C@H](C)[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000629590411 480320059 /nfs/dbraw/zinc/32/00/59/480320059.db2.gz YSGPOUMMSRTJAZ-IEZWGBDMSA-N 1 3 330.472 2.532 20 0 EFADHO COC[C@H](C)[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000629590411 480320063 /nfs/dbraw/zinc/32/00/63/480320063.db2.gz YSGPOUMMSRTJAZ-IEZWGBDMSA-N 1 3 330.472 2.532 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103387 480334125 /nfs/dbraw/zinc/33/41/25/480334125.db2.gz AUNXGVCXKXVICF-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103387 480334128 /nfs/dbraw/zinc/33/41/28/480334128.db2.gz AUNXGVCXKXVICF-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000621108534 480339440 /nfs/dbraw/zinc/33/94/40/480339440.db2.gz BFGKPRKMASRYTJ-QUCCMNQESA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000621108534 480339445 /nfs/dbraw/zinc/33/94/45/480339445.db2.gz BFGKPRKMASRYTJ-QUCCMNQESA-N 1 3 343.515 2.918 20 0 EFADHO COc1ccc(Oc2ccc(CN(C)CCOCC[NH3+])cc2)cc1 ZINC000629664137 480349358 /nfs/dbraw/zinc/34/93/58/480349358.db2.gz JOGLDPFJABKOFA-UHFFFAOYSA-N 1 3 330.428 2.895 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000623656533 480384111 /nfs/dbraw/zinc/38/41/11/480384111.db2.gz WIVLTMORGDZYHM-HNNXBMFYSA-N 1 3 328.460 2.907 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCN3C3CCCC3)C2)CC1 ZINC000635455841 480391003 /nfs/dbraw/zinc/39/10/03/480391003.db2.gz HKCKLMAPVJDJJB-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000644527102 480417157 /nfs/dbraw/zinc/41/71/57/480417157.db2.gz ZICHMNOCNKVBAH-QUCCMNQESA-N 1 3 347.547 2.579 20 0 EFADHO C[C@H]1CC[C@H](CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)O1 ZINC000634688222 480430125 /nfs/dbraw/zinc/43/01/25/480430125.db2.gz LZQMDXNKMHCBQZ-WMLDXEAASA-N 1 3 332.492 2.624 20 0 EFADHO CO[C@@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976952 480433632 /nfs/dbraw/zinc/43/36/32/480433632.db2.gz FOBWDAANWOUJKU-QUCCMNQESA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@@H](C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976952 480433646 /nfs/dbraw/zinc/43/36/46/480433646.db2.gz FOBWDAANWOUJKU-QUCCMNQESA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@@H](C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976952 480433651 /nfs/dbraw/zinc/43/36/51/480433651.db2.gz FOBWDAANWOUJKU-QUCCMNQESA-N 1 3 338.536 2.872 20 0 EFADHO O[C@]1(CN[C@H]2C[C@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701907 480441140 /nfs/dbraw/zinc/44/11/40/480441140.db2.gz XTMUHZMTRYONFK-ACRUOGEOSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@H]2C[C@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701907 480441148 /nfs/dbraw/zinc/44/11/48/480441148.db2.gz XTMUHZMTRYONFK-ACRUOGEOSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@@]1(CNCCOC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701346 480442045 /nfs/dbraw/zinc/44/20/45/480442045.db2.gz OBRYPZHGXMHPDC-HXUWFJFHSA-N 1 3 332.488 2.562 20 0 EFADHO O[C@@]1(CNCCOC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701346 480442048 /nfs/dbraw/zinc/44/20/48/480442048.db2.gz OBRYPZHGXMHPDC-HXUWFJFHSA-N 1 3 332.488 2.562 20 0 EFADHO O[C@@]1(CNCCc2cccc(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000634704580 480444670 /nfs/dbraw/zinc/44/46/70/480444670.db2.gz MMBMYAIBGALBOD-HXUWFJFHSA-N 1 3 346.421 2.734 20 0 EFADHO O[C@@]1(CNCCc2cccc(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704580 480444678 /nfs/dbraw/zinc/44/46/78/480444678.db2.gz MMBMYAIBGALBOD-HXUWFJFHSA-N 1 3 346.421 2.734 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN(C)C1CCC1)Cc1ccccc1 ZINC000629947962 480465242 /nfs/dbraw/zinc/46/52/42/480465242.db2.gz ZKMSCVWPKIGVKS-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO C[N@@H+]1C[C@H](C(=O)NCCN2CCCC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000626676531 480465264 /nfs/dbraw/zinc/46/52/64/480465264.db2.gz VTZQMCHUZSAHJF-MOPGFXCFSA-N 1 3 343.515 2.570 20 0 EFADHO C[N@H+]1C[C@H](C(=O)NCCN2CCCC(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000626676531 480465272 /nfs/dbraw/zinc/46/52/72/480465272.db2.gz VTZQMCHUZSAHJF-MOPGFXCFSA-N 1 3 343.515 2.570 20 0 EFADHO CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724533 480467767 /nfs/dbraw/zinc/46/77/67/480467767.db2.gz SDLBJTAQXOBSCX-RLLQIKCJSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724533 480467774 /nfs/dbraw/zinc/46/77/74/480467774.db2.gz SDLBJTAQXOBSCX-RLLQIKCJSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724533 480467782 /nfs/dbraw/zinc/46/77/82/480467782.db2.gz SDLBJTAQXOBSCX-RLLQIKCJSA-N 1 3 334.504 2.520 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000629953213 480468806 /nfs/dbraw/zinc/46/88/06/480468806.db2.gz LSPUVZBXTULDRH-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000629953213 480468811 /nfs/dbraw/zinc/46/88/11/480468811.db2.gz LSPUVZBXTULDRH-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635576836 480474366 /nfs/dbraw/zinc/47/43/66/480474366.db2.gz XRJMORQLUWTCED-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635576836 480474374 /nfs/dbraw/zinc/47/43/74/480474374.db2.gz XRJMORQLUWTCED-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000629959511 480474745 /nfs/dbraw/zinc/47/47/45/480474745.db2.gz DZYWOOZMZCOXIV-CTXDPNEZSA-N 1 3 341.499 2.783 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000629959511 480474747 /nfs/dbraw/zinc/47/47/47/480474747.db2.gz DZYWOOZMZCOXIV-CTXDPNEZSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21)C1=CCN(C)CC1 ZINC000644618391 480476609 /nfs/dbraw/zinc/47/66/09/480476609.db2.gz CHBXEJSWGGKQOS-SCWSEQNSSA-N 1 3 344.499 2.682 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000629963954 480478150 /nfs/dbraw/zinc/47/81/50/480478150.db2.gz YUGVRVAZXSGGOV-KBXCAEBGSA-N 1 3 335.517 2.732 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000629963954 480478158 /nfs/dbraw/zinc/47/81/58/480478158.db2.gz YUGVRVAZXSGGOV-KBXCAEBGSA-N 1 3 335.517 2.732 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000626710655 480483112 /nfs/dbraw/zinc/48/31/12/480483112.db2.gz MKRPOQZIEKWWEG-QYZOEREBSA-N 1 3 343.515 2.568 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000626710655 480483118 /nfs/dbraw/zinc/48/31/18/480483118.db2.gz MKRPOQZIEKWWEG-QYZOEREBSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000629980054 480490541 /nfs/dbraw/zinc/49/05/41/480490541.db2.gz BNNMSMBVPWSTJW-IBGZPJMESA-N 1 3 331.504 2.744 20 0 EFADHO COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)N2CCCC2)cc1 ZINC000638048455 480493410 /nfs/dbraw/zinc/49/34/10/480493410.db2.gz DKSQPRYMOZGPKI-RBUKOAKNSA-N 1 3 347.503 2.712 20 0 EFADHO COc1cc(CCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000621391866 480494501 /nfs/dbraw/zinc/49/45/01/480494501.db2.gz WWHJSRWSWMHQSW-JKSUJKDBSA-N 1 3 334.460 2.558 20 0 EFADHO COc1cc(CCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1O ZINC000621391866 480494515 /nfs/dbraw/zinc/49/45/15/480494515.db2.gz WWHJSRWSWMHQSW-JKSUJKDBSA-N 1 3 334.460 2.558 20 0 EFADHO COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CCC(C)C)N2CCCC2)c1 ZINC000638051478 480494797 /nfs/dbraw/zinc/49/47/97/480494797.db2.gz IWVYDNBHMFZZJM-MOPGFXCFSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623897340 480510277 /nfs/dbraw/zinc/51/02/77/480510277.db2.gz KPVHSYPYCZYNJM-NSHDSACASA-N 1 3 334.357 2.952 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638079703 480518775 /nfs/dbraw/zinc/51/87/75/480518775.db2.gz GXRNOTZZHQEUIS-RBUKOAKNSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638079703 480518782 /nfs/dbraw/zinc/51/87/82/480518782.db2.gz GXRNOTZZHQEUIS-RBUKOAKNSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000638092723 480528445 /nfs/dbraw/zinc/52/84/45/480528445.db2.gz ZUKACUGRALCJTO-MRXNPFEDSA-N 1 3 332.492 2.895 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1csc(C)c1 ZINC000640647171 480538951 /nfs/dbraw/zinc/53/89/51/480538951.db2.gz MKDBBLMYBPTVLY-MRXNPFEDSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1csc(C)c1 ZINC000640647171 480538958 /nfs/dbraw/zinc/53/89/58/480538958.db2.gz MKDBBLMYBPTVLY-MRXNPFEDSA-N 1 3 338.521 2.936 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638118576 480544926 /nfs/dbraw/zinc/54/49/26/480544926.db2.gz AURKEEMAJYXTNY-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638118576 480544934 /nfs/dbraw/zinc/54/49/34/480544934.db2.gz AURKEEMAJYXTNY-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000638124754 480552514 /nfs/dbraw/zinc/55/25/14/480552514.db2.gz VBXOWUDGNPIXPF-KRWDZBQOSA-N 1 3 330.476 2.905 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638126103 480553568 /nfs/dbraw/zinc/55/35/68/480553568.db2.gz POQGRNRILKAMGT-UHFFFAOYSA-N 1 3 337.467 2.884 20 0 EFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000621507312 480562823 /nfs/dbraw/zinc/56/28/23/480562823.db2.gz VRAOPBJSTKMRBU-ZWKOTPCHSA-N 1 3 343.515 2.544 20 0 EFADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000635690400 480565344 /nfs/dbraw/zinc/56/53/44/480565344.db2.gz RVUGFVNVYGUWQU-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO C[NH+](C)CC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000635704620 480573744 /nfs/dbraw/zinc/57/37/44/480573744.db2.gz LNXVRWOFTZQXJR-UHFFFAOYSA-N 1 3 345.487 2.832 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@@H]1C ZINC000624093061 480605130 /nfs/dbraw/zinc/60/51/30/480605130.db2.gz NATBKCQAJYTVRU-KVPLUYHFSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@@H]1C ZINC000624093061 480605135 /nfs/dbraw/zinc/60/51/35/480605135.db2.gz NATBKCQAJYTVRU-KVPLUYHFSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1cccc(N2CCOCC2)c1 ZINC000624119768 480619609 /nfs/dbraw/zinc/61/96/09/480619609.db2.gz JHEJMNILKQEDCW-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCN1CCCN(C)CC1 ZINC000644885104 480626839 /nfs/dbraw/zinc/62/68/39/480626839.db2.gz AVZJJXMWTAIFKU-MNDPQUGUSA-N 1 3 345.531 2.854 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310095 480659593 /nfs/dbraw/zinc/65/95/93/480659593.db2.gz WABZSABXCPHNCD-QRQLOZEOSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310095 480659596 /nfs/dbraw/zinc/65/95/96/480659596.db2.gz WABZSABXCPHNCD-QRQLOZEOSA-N 1 3 331.504 2.777 20 0 EFADHO COc1ccc([C@@H](NC2CC[NH+](CC(C)(C)O)CC2)C2CC2)cc1 ZINC000638316324 480662435 /nfs/dbraw/zinc/66/24/35/480662435.db2.gz MIPIZXAUDMQMNG-IBGZPJMESA-N 1 3 332.488 2.971 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638359141 480682723 /nfs/dbraw/zinc/68/27/23/480682723.db2.gz HDSYQXCLQFBNMY-UHFFFAOYSA-N 1 3 345.318 2.693 20 0 EFADHO COC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635006240 480683741 /nfs/dbraw/zinc/68/37/41/480683741.db2.gz BBJFWQJWGXDLRS-KRWDZBQOSA-N 1 3 348.397 2.569 20 0 EFADHO COc1ccc2c(c1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635008485 480684761 /nfs/dbraw/zinc/68/47/61/480684761.db2.gz KCNURIKDQUEIKE-IBGZPJMESA-N 1 3 338.455 2.989 20 0 EFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(F)c1 ZINC000635008891 480685248 /nfs/dbraw/zinc/68/52/48/480685248.db2.gz LDHCSLDZAFQHLV-ZDUSSCGKSA-N 1 3 330.407 2.812 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1N(C)C ZINC000635006607 480685756 /nfs/dbraw/zinc/68/57/56/480685756.db2.gz BVJXFUIVMLZPTO-OAHLLOKOSA-N 1 3 325.460 2.730 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009827 480686188 /nfs/dbraw/zinc/68/61/88/480686188.db2.gz HUDWFXKWQOYGQC-AOIWGVFYSA-N 1 3 330.520 2.660 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2C1 ZINC000635010145 480687310 /nfs/dbraw/zinc/68/73/10/480687310.db2.gz IXUKQYQIZBPMBS-MJGOQNOKSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000635013306 480688857 /nfs/dbraw/zinc/68/88/57/480688857.db2.gz XUTZWALGWPGNRI-WMZOPIPTSA-N 1 3 331.504 2.952 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635014066 480690165 /nfs/dbraw/zinc/69/01/65/480690165.db2.gz LRHSQUCPYWLLHV-DOMZBBRYSA-N 1 3 333.863 2.929 20 0 EFADHO CCCC(=O)Nc1cccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638373752 480691578 /nfs/dbraw/zinc/69/15/78/480691578.db2.gz IZWMWWRGTHNNMU-UHFFFAOYSA-N 1 3 347.503 2.750 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373288 480691621 /nfs/dbraw/zinc/69/16/21/480691621.db2.gz BGYDMPCKPIUOPI-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901937 480695983 /nfs/dbraw/zinc/69/59/83/480695983.db2.gz BQSNCFYRZNCOLG-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901937 480695985 /nfs/dbraw/zinc/69/59/85/480695985.db2.gz BQSNCFYRZNCOLG-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CO[C@@](C)(C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000638386913 480700450 /nfs/dbraw/zinc/70/04/50/480700450.db2.gz SQKKELQNWUTYHC-NRFANRHFSA-N 1 3 345.531 2.994 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638402467 480706714 /nfs/dbraw/zinc/70/67/14/480706714.db2.gz OBUGNMHLABJIBC-IEBWSBKVSA-N 1 3 329.488 2.860 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638402467 480706721 /nfs/dbraw/zinc/70/67/21/480706721.db2.gz OBUGNMHLABJIBC-IEBWSBKVSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCN(C)CC(F)F ZINC000624324458 480707765 /nfs/dbraw/zinc/70/77/65/480707765.db2.gz LMMSRUFXEXTBAN-RDJZCZTQSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCN(C)CC(F)F ZINC000624324458 480707769 /nfs/dbraw/zinc/70/77/69/480707769.db2.gz LMMSRUFXEXTBAN-RDJZCZTQSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCN(C)CC(F)F ZINC000624324459 480707986 /nfs/dbraw/zinc/70/79/86/480707986.db2.gz LMMSRUFXEXTBAN-WBVHZDCISA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCN(C)CC(F)F ZINC000624324459 480707992 /nfs/dbraw/zinc/70/79/92/480707992.db2.gz LMMSRUFXEXTBAN-WBVHZDCISA-N 1 3 325.447 2.684 20 0 EFADHO CCCN(C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645132264 480709863 /nfs/dbraw/zinc/70/98/63/480709863.db2.gz UMQPIEFJRDHLSH-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CCCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCN(C)C1 ZINC000645132264 480709867 /nfs/dbraw/zinc/70/98/67/480709867.db2.gz UMQPIEFJRDHLSH-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO O=C(NC1CCN(Cc2ccccc2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635071739 480714689 /nfs/dbraw/zinc/71/46/89/480714689.db2.gz VSFVSMQGTITFIO-UHFFFAOYSA-N 1 3 341.499 2.643 20 0 EFADHO CCCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000645162528 480724434 /nfs/dbraw/zinc/72/44/34/480724434.db2.gz NKEMYKKMEMYKPR-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645162531 480724457 /nfs/dbraw/zinc/72/44/57/480724457.db2.gz NKEMYKKMEMYKPR-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)c2cccs2)CC1 ZINC000635114091 480731106 /nfs/dbraw/zinc/73/11/06/480731106.db2.gz MUCCFVUWSPMMAR-INIZCTEOSA-N 1 3 349.544 2.979 20 0 EFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000638457489 480735326 /nfs/dbraw/zinc/73/53/26/480735326.db2.gz RXXAUVGOXBTURK-WBVHZDCISA-N 1 3 349.544 2.997 20 0 EFADHO CO[C@]1(CNCc2cccc(C[NH+]3CCCCCC3)c2)CCOC1 ZINC000638458555 480736055 /nfs/dbraw/zinc/73/60/55/480736055.db2.gz UOXCGMNXJVKQJG-FQEVSTJZSA-N 1 3 332.488 2.958 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645204733 480742630 /nfs/dbraw/zinc/74/26/30/480742630.db2.gz PROWVOQGYTUZGS-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645204733 480742632 /nfs/dbraw/zinc/74/26/32/480742632.db2.gz PROWVOQGYTUZGS-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C12CCC[NH+](CCC1)C2 ZINC000635139748 480744562 /nfs/dbraw/zinc/74/45/62/480744562.db2.gz WYTHNFXKJITSSV-IBGZPJMESA-N 1 3 341.499 2.816 20 0 EFADHO COCCN(C)CCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638483948 480746537 /nfs/dbraw/zinc/74/65/37/480746537.db2.gz ROWJRKNKIYIWER-ICSRJNTNSA-N 1 3 331.504 2.522 20 0 EFADHO COCCN(C)CCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638483948 480746539 /nfs/dbraw/zinc/74/65/39/480746539.db2.gz ROWJRKNKIYIWER-ICSRJNTNSA-N 1 3 331.504 2.522 20 0 EFADHO COCCN(C)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638483947 480746765 /nfs/dbraw/zinc/74/67/65/480746765.db2.gz ROWJRKNKIYIWER-AZUAARDMSA-N 1 3 331.504 2.522 20 0 EFADHO COCCN(C)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638483947 480746770 /nfs/dbraw/zinc/74/67/70/480746770.db2.gz ROWJRKNKIYIWER-AZUAARDMSA-N 1 3 331.504 2.522 20 0 EFADHO Cn1cc(CCC[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cn1 ZINC000638521286 480763970 /nfs/dbraw/zinc/76/39/70/480763970.db2.gz FKEVWNOXYOPAEX-HXUWFJFHSA-N 1 3 326.488 2.507 20 0 EFADHO COC[C@@](C)(O)C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638584581 480788491 /nfs/dbraw/zinc/78/84/91/480788491.db2.gz UEJUYQQEVARYLN-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@](C)(O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638584581 480788493 /nfs/dbraw/zinc/78/84/93/480788493.db2.gz UEJUYQQEVARYLN-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@](C)(O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638584581 480788495 /nfs/dbraw/zinc/78/84/95/480788495.db2.gz UEJUYQQEVARYLN-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638596056 480791630 /nfs/dbraw/zinc/79/16/30/480791630.db2.gz DWJXFFFZSQVSRI-KRWDZBQOSA-N 1 3 339.568 2.712 20 0 EFADHO C[C@H](C[NH3+])C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000645332090 480798025 /nfs/dbraw/zinc/79/80/25/480798025.db2.gz PKSNFWGVQHYMNS-OAHLLOKOSA-N 1 3 325.456 2.626 20 0 EFADHO Cc1ccc(NC(=O)NC2(C[NH3+])CCCCC2)c(OCCN(C)C)c1 ZINC000632929996 480804601 /nfs/dbraw/zinc/80/46/01/480804601.db2.gz ABOJWJGAJAHEPB-UHFFFAOYSA-N 1 3 348.491 2.719 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624556414 480816536 /nfs/dbraw/zinc/81/65/36/480816536.db2.gz OWVWORCFPGMCDN-IZBJGVDFSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624556414 480816542 /nfs/dbraw/zinc/81/65/42/480816542.db2.gz OWVWORCFPGMCDN-IZBJGVDFSA-N 1 3 343.515 2.568 20 0 EFADHO Cn1c(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000638669617 480821749 /nfs/dbraw/zinc/82/17/49/480821749.db2.gz UKBZXFNMPXOVFU-INIZCTEOSA-N 1 3 327.472 2.769 20 0 EFADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Cl ZINC000638689305 480831033 /nfs/dbraw/zinc/83/10/33/480831033.db2.gz KMAROSIESMBQQJ-CQSZACIVSA-N 1 3 340.895 2.932 20 0 EFADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Cl)cc1 ZINC000638696872 480832619 /nfs/dbraw/zinc/83/26/19/480832619.db2.gz FFQVSKANVITLFR-CQSZACIVSA-N 1 3 340.895 2.932 20 0 EFADHO CC[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1F ZINC000638732993 480845617 /nfs/dbraw/zinc/84/56/17/480845617.db2.gz RXPNKZASBHJHPU-MRXNPFEDSA-N 1 3 338.467 2.808 20 0 EFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)Cc1ccccc1 ZINC000638749706 480851017 /nfs/dbraw/zinc/85/10/17/480851017.db2.gz LLZHXEILHOMTOS-PWRODBHTSA-N 1 3 346.515 2.602 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000645472843 480856468 /nfs/dbraw/zinc/85/64/68/480856468.db2.gz JOOFUCHYNADPNG-IEBWSBKVSA-N 1 3 331.504 2.649 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000645472584 480856720 /nfs/dbraw/zinc/85/67/20/480856720.db2.gz MOUJDOGRAFJPRX-PZJWPPBQSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000645473529 480858336 /nfs/dbraw/zinc/85/83/36/480858336.db2.gz SDWAIYIZEQRMPX-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO CC[C@@](C)(N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179353 480858568 /nfs/dbraw/zinc/85/85/68/480858568.db2.gz JORXRUXQWSMPCD-LJQANCHMSA-N 1 3 327.476 2.896 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635412284 480862182 /nfs/dbraw/zinc/86/21/82/480862182.db2.gz QHFCJZCWISMPNO-HKUYNNGSSA-N 1 3 341.499 2.814 20 0 EFADHO CC1CC[NH+](C2CCC(NCc3cc4c(cn3)OCCO4)CC2)CC1 ZINC000638776163 480862880 /nfs/dbraw/zinc/86/28/80/480862880.db2.gz MEQRMATUPJCBIB-UHFFFAOYSA-N 1 3 345.487 2.986 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]CC2(CO)COC2)CCN(Cc2ccccc2)C1 ZINC000638776695 480863893 /nfs/dbraw/zinc/86/38/93/480863893.db2.gz CPVTZOLIGLWZSH-OAQYLSRUSA-N 1 3 346.515 2.523 20 0 EFADHO CC(C)(C)[C@@]1(CNCC2(CO)COC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638776695 480863901 /nfs/dbraw/zinc/86/39/01/480863901.db2.gz CPVTZOLIGLWZSH-OAQYLSRUSA-N 1 3 346.515 2.523 20 0 EFADHO CC(C)(C)[C@@]1(CNCC2(CO)COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638776695 480863907 /nfs/dbraw/zinc/86/39/07/480863907.db2.gz CPVTZOLIGLWZSH-OAQYLSRUSA-N 1 3 346.515 2.523 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645501287 480870016 /nfs/dbraw/zinc/87/00/16/480870016.db2.gz WLKKDAOKCZLZKU-YJBOKZPZSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3NCC3(C)C)cc2)C1 ZINC000645501287 480870022 /nfs/dbraw/zinc/87/00/22/480870022.db2.gz WLKKDAOKCZLZKU-YJBOKZPZSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645502837 480870148 /nfs/dbraw/zinc/87/01/48/480870148.db2.gz IIUJOKOGHSSSSB-QAPCUYQASA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645502837 480870154 /nfs/dbraw/zinc/87/01/54/480870154.db2.gz IIUJOKOGHSSSSB-QAPCUYQASA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645502835 480870375 /nfs/dbraw/zinc/87/03/75/480870375.db2.gz IIUJOKOGHSSSSB-MAUKXSAKSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645502835 480870382 /nfs/dbraw/zinc/87/03/82/480870382.db2.gz IIUJOKOGHSSSSB-MAUKXSAKSA-N 1 3 329.488 2.675 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000641226969 480875997 /nfs/dbraw/zinc/87/59/97/480875997.db2.gz IQQUPXJMSPETIJ-ZWKOTPCHSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000638807105 480877652 /nfs/dbraw/zinc/87/76/52/480877652.db2.gz PHTBLGKGFYWNAD-YLJYHZDGSA-N 1 3 346.515 2.979 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829088 480886774 /nfs/dbraw/zinc/88/67/74/480886774.db2.gz IQQZIPUAGLJZOB-SWLSCSKDSA-N 1 3 345.409 2.812 20 0 EFADHO CN(C)C[C@H](NC(=O)CC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000638831116 480887964 /nfs/dbraw/zinc/88/79/64/480887964.db2.gz IGBAZQJEZNFVQE-AWEZNQCLSA-N 1 3 343.393 2.696 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851583 480896139 /nfs/dbraw/zinc/89/61/39/480896139.db2.gz KFXBMUYKHXLSOO-VQIMIIECSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851583 480896142 /nfs/dbraw/zinc/89/61/42/480896142.db2.gz KFXBMUYKHXLSOO-VQIMIIECSA-N 1 3 349.478 2.788 20 0 EFADHO CCN1CCN(CCC[NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638852486 480897172 /nfs/dbraw/zinc/89/71/72/480897172.db2.gz GUWGSQMASZPZNE-FQEVSTJZSA-N 1 3 333.520 2.770 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000638880923 480905858 /nfs/dbraw/zinc/90/58/58/480905858.db2.gz PEWCJEBOMBONNV-HNNXBMFYSA-N 1 3 337.414 2.959 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000645682987 480914133 /nfs/dbraw/zinc/91/41/33/480914133.db2.gz ASPGAELBWUWZOZ-ROUUACIJSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000639001946 480928038 /nfs/dbraw/zinc/92/80/38/480928038.db2.gz SCUDFXPYHGNEDK-PZJWPPBQSA-N 1 3 349.478 2.573 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000639005887 480928948 /nfs/dbraw/zinc/92/89/48/480928948.db2.gz QMWCBCQLSAZWRY-HOJAQTOUSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])C2)cc1 ZINC000639005851 480929004 /nfs/dbraw/zinc/92/90/04/480929004.db2.gz PIKAOVSITMNHSR-NSHGMRRFSA-N 1 3 329.488 2.593 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000639005889 480929178 /nfs/dbraw/zinc/92/91/78/480929178.db2.gz QMWCBCQLSAZWRY-RLLQIKCJSA-N 1 3 343.515 2.711 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000645790849 480932004 /nfs/dbraw/zinc/93/20/04/480932004.db2.gz WSMAXXAORASITL-UHFFFAOYSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000645790849 480932007 /nfs/dbraw/zinc/93/20/07/480932007.db2.gz WSMAXXAORASITL-UHFFFAOYSA-N 1 3 346.519 2.538 20 0 EFADHO OCCCCOc1ccccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000639107709 480955798 /nfs/dbraw/zinc/95/57/98/480955798.db2.gz CEIJPXPQIRAFPP-UHFFFAOYSA-N 1 3 332.488 2.802 20 0 EFADHO Cn1ccnc1COc1ccc(C[N@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482996 480960748 /nfs/dbraw/zinc/96/07/48/480960748.db2.gz QFQQADIODQIMDH-UHFFFAOYSA-N 1 3 340.471 2.716 20 0 EFADHO Cn1ccnc1COc1ccc(C[N@@H+](C2CC2)C2CCNCC2)cc1 ZINC000647482996 480960759 /nfs/dbraw/zinc/96/07/59/480960759.db2.gz QFQQADIODQIMDH-UHFFFAOYSA-N 1 3 340.471 2.716 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)N1 ZINC000639114795 480961935 /nfs/dbraw/zinc/96/19/35/480961935.db2.gz HIFJCBWESILTFN-ZHALLVOQSA-N 1 3 327.472 2.613 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)N1 ZINC000639114795 480961938 /nfs/dbraw/zinc/96/19/38/480961938.db2.gz HIFJCBWESILTFN-ZHALLVOQSA-N 1 3 327.472 2.613 20 0 EFADHO CN(C)CCOc1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647489022 480963311 /nfs/dbraw/zinc/96/33/11/480963311.db2.gz JUUUSXNAFNWQEH-UXHICEINSA-N 1 3 331.504 2.734 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543071 480992244 /nfs/dbraw/zinc/99/22/44/480992244.db2.gz HFAIZFZRRYLAIT-HZPDHXFCSA-N 1 3 334.460 2.621 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543588 480992716 /nfs/dbraw/zinc/99/27/16/480992716.db2.gz PWQZHTPXIQWBFF-JKSUJKDBSA-N 1 3 348.487 2.924 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc2n1 ZINC000647543508 480993171 /nfs/dbraw/zinc/99/31/71/480993171.db2.gz OLOASCPNMVRFKA-SJORKVTESA-N 1 3 327.476 2.558 20 0 EFADHO CC[C@](C)(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160963 481006982 /nfs/dbraw/zinc/00/69/82/481006982.db2.gz ICEXRCRORCCOLB-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@](C)(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160963 481006989 /nfs/dbraw/zinc/00/69/89/481006989.db2.gz ICEXRCRORCCOLB-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@](C)(CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160964 481007102 /nfs/dbraw/zinc/00/71/02/481007102.db2.gz ICEXRCRORCCOLB-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@](C)(CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160964 481007108 /nfs/dbraw/zinc/00/71/08/481007108.db2.gz ICEXRCRORCCOLB-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO CN(CCC(N)=O)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639165096 481009045 /nfs/dbraw/zinc/00/90/45/481009045.db2.gz CJSZLWPWBVTIEK-FQEVSTJZSA-N 1 3 331.504 2.732 20 0 EFADHO CN(CCC(N)=O)C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639165096 481009051 /nfs/dbraw/zinc/00/90/51/481009051.db2.gz CJSZLWPWBVTIEK-FQEVSTJZSA-N 1 3 331.504 2.732 20 0 EFADHO C[N@H+](CCC(N)=O)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639165096 481009058 /nfs/dbraw/zinc/00/90/58/481009058.db2.gz CJSZLWPWBVTIEK-FQEVSTJZSA-N 1 3 331.504 2.732 20 0 EFADHO C[N@@H+](CCC(N)=O)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639165096 481009066 /nfs/dbraw/zinc/00/90/66/481009066.db2.gz CJSZLWPWBVTIEK-FQEVSTJZSA-N 1 3 331.504 2.732 20 0 EFADHO CN(CCN1CCCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000652987980 481013236 /nfs/dbraw/zinc/01/32/36/481013236.db2.gz GENKJXRVDJPHER-UHFFFAOYSA-N 1 3 329.488 2.840 20 0 EFADHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cn1cccn1 ZINC000639177200 481019602 /nfs/dbraw/zinc/01/96/02/481019602.db2.gz BJPUBTPVDYRRNF-LPHOPBHVSA-N 1 3 342.487 2.712 20 0 EFADHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cn1cccn1 ZINC000639177200 481019606 /nfs/dbraw/zinc/01/96/06/481019606.db2.gz BJPUBTPVDYRRNF-LPHOPBHVSA-N 1 3 342.487 2.712 20 0 EFADHO C[C@H](CCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1)[NH+](C)C ZINC000664110236 481027242 /nfs/dbraw/zinc/02/72/42/481027242.db2.gz UUVGIJJERKPDSZ-HZPDHXFCSA-N 1 3 334.508 2.755 20 0 EFADHO CC[C@]1(CNC2CC[NH+](CC(C)(C)O)CC2)OCCc2ccccc21 ZINC000639187919 481029448 /nfs/dbraw/zinc/02/94/48/481029448.db2.gz GVAIKGKZDHBXJG-OAQYLSRUSA-N 1 3 346.515 2.690 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000641717743 481030069 /nfs/dbraw/zinc/03/00/69/481030069.db2.gz OPRFEJXDZMUYJE-UHFFFAOYSA-N 1 3 348.441 2.630 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000641717743 481030080 /nfs/dbraw/zinc/03/00/80/481030080.db2.gz OPRFEJXDZMUYJE-UHFFFAOYSA-N 1 3 348.441 2.630 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000669279372 481030691 /nfs/dbraw/zinc/03/06/91/481030691.db2.gz CMNGSCKFLNJWBF-JKSUJKDBSA-N 1 3 338.521 2.572 20 0 EFADHO CO[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194497 481035917 /nfs/dbraw/zinc/03/59/17/481035917.db2.gz DRGWNRXUADDHIA-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194497 481035922 /nfs/dbraw/zinc/03/59/22/481035922.db2.gz DRGWNRXUADDHIA-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194497 481035928 /nfs/dbraw/zinc/03/59/28/481035928.db2.gz DRGWNRXUADDHIA-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@@]1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCOC1 ZINC000639196414 481037677 /nfs/dbraw/zinc/03/76/77/481037677.db2.gz ZQKZHDCZQIYKHI-VQTJNVASSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@@]1(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196414 481037682 /nfs/dbraw/zinc/03/76/82/481037682.db2.gz ZQKZHDCZQIYKHI-VQTJNVASSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@@]1(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196414 481037689 /nfs/dbraw/zinc/03/76/89/481037689.db2.gz ZQKZHDCZQIYKHI-VQTJNVASSA-N 1 3 332.488 2.684 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)NCc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000669297576 481039863 /nfs/dbraw/zinc/03/98/63/481039863.db2.gz JMHYCBBFAOIKDI-IBGZPJMESA-N 1 3 344.503 2.600 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664145000 481048677 /nfs/dbraw/zinc/04/86/77/481048677.db2.gz DPDPZXFNDUHEFP-DLBZAZTESA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000664145003 481048819 /nfs/dbraw/zinc/04/88/19/481048819.db2.gz DPDPZXFNDUHEFP-SJORKVTESA-N 1 3 346.519 2.851 20 0 EFADHO Cc1cc(Br)ccc1[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000641774260 481066172 /nfs/dbraw/zinc/06/61/72/481066172.db2.gz NWPYZWPROXIYTC-ZDUSSCGKSA-N 1 3 341.293 2.865 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)[C@@H]1CCO)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500710 481075129 /nfs/dbraw/zinc/07/51/29/481075129.db2.gz UGVDDOFLYJCGES-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)[C@@H]1CCO)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500710 481075133 /nfs/dbraw/zinc/07/51/33/481075133.db2.gz UGVDDOFLYJCGES-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661500710 481075137 /nfs/dbraw/zinc/07/51/37/481075137.db2.gz UGVDDOFLYJCGES-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661500710 481075141 /nfs/dbraw/zinc/07/51/41/481075141.db2.gz UGVDDOFLYJCGES-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653107866 481083811 /nfs/dbraw/zinc/08/38/11/481083811.db2.gz AAWJARYHRWIOJG-PMACEKPBSA-N 1 3 341.499 2.606 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C[C@@H]1C ZINC000666758512 481083962 /nfs/dbraw/zinc/08/39/62/481083962.db2.gz UDLGKJGZKMHLQX-SQNIBIBYSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)C[C@@H]1C ZINC000666758512 481083967 /nfs/dbraw/zinc/08/39/67/481083967.db2.gz UDLGKJGZKMHLQX-SQNIBIBYSA-N 1 3 338.540 2.621 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113452 481087082 /nfs/dbraw/zinc/08/70/82/481087082.db2.gz CFMKNZBHPNOIAK-QZTJIDSGSA-N 1 3 347.528 2.607 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000653113806 481088209 /nfs/dbraw/zinc/08/82/09/481088209.db2.gz OGKZODSOJOPGCC-RBUKOAKNSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653117751 481089999 /nfs/dbraw/zinc/08/99/99/481089999.db2.gz VBFAADGZZSPPPM-FUHWJXTLSA-N 1 3 329.488 2.718 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@H]3C[C@@H]([NH3+])C3(C)C)n2)cc1F ZINC000641808921 481093019 /nfs/dbraw/zinc/09/30/19/481093019.db2.gz UZKHWZNFVUFWHY-CABCVRRESA-N 1 3 332.423 2.832 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000646106383 481095000 /nfs/dbraw/zinc/09/50/00/481095000.db2.gz WPKFHDPOKZFYTP-ROUUACIJSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000669405640 481099797 /nfs/dbraw/zinc/09/97/97/481099797.db2.gz ADXPGSGUBYYNGJ-ISARSNTHSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000669406538 481100101 /nfs/dbraw/zinc/10/01/01/481100101.db2.gz ZEUYIEIVTUIUPN-OAHLLOKOSA-N 1 3 344.503 2.600 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000669406538 481100104 /nfs/dbraw/zinc/10/01/04/481100104.db2.gz ZEUYIEIVTUIUPN-OAHLLOKOSA-N 1 3 344.503 2.600 20 0 EFADHO CC(C)(CCC[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420498 481110381 /nfs/dbraw/zinc/11/03/81/481110381.db2.gz NLKXZSKYWZAMEI-GOSISDBHSA-N 1 3 346.519 2.715 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420862 481110720 /nfs/dbraw/zinc/11/07/20/481110720.db2.gz YGQXQAYSAIRIBE-PKOBYXMFSA-N 1 3 346.519 2.715 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000669427453 481117467 /nfs/dbraw/zinc/11/74/67/481117467.db2.gz HGVMUAPRSXUJFV-MOPGFXCFSA-N 1 3 344.503 2.573 20 0 EFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)NCc1ccccc1Cl ZINC000647814344 481120054 /nfs/dbraw/zinc/12/00/54/481120054.db2.gz JOWMGIBAYKZGIV-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)NCc1ccccc1Cl ZINC000647814344 481120065 /nfs/dbraw/zinc/12/00/65/481120065.db2.gz JOWMGIBAYKZGIV-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)NCc1ccccc1Cl ZINC000647814344 481120070 /nfs/dbraw/zinc/12/00/70/481120070.db2.gz JOWMGIBAYKZGIV-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO CN(CCC[NH3+])CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000647849537 481138579 /nfs/dbraw/zinc/13/85/79/481138579.db2.gz XKZWCFAJPJZFDP-SFHVURJKSA-N 1 3 331.485 2.624 20 0 EFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000669479714 481146867 /nfs/dbraw/zinc/14/68/67/481146867.db2.gz PKRXVYVOVXHHET-LZLYRXPVSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000669479717 481147539 /nfs/dbraw/zinc/14/75/39/481147539.db2.gz QJKNCMLDCPMTAL-JQHSSLGASA-N 1 3 344.503 2.509 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[NH2+]1 ZINC000669483653 481151060 /nfs/dbraw/zinc/15/10/60/481151060.db2.gz GENMTHOHOCRGKX-BHIYHBOVSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666858047 481151672 /nfs/dbraw/zinc/15/16/72/481151672.db2.gz USUMPAIFPNLGAO-YOEHRIQHSA-N 1 3 337.895 2.809 20 0 EFADHO O=C(c1cccc(F)c1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647874858 481151953 /nfs/dbraw/zinc/15/19/53/481151953.db2.gz FGIUTCIHMPFUFL-UHFFFAOYSA-N 1 3 347.478 2.753 20 0 EFADHO C[C@@H]1NCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)[C@H]1C ZINC000669483967 481152420 /nfs/dbraw/zinc/15/24/20/481152420.db2.gz WBRADOZJHJOWET-LNLFQRSKSA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH2+]CCCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483974 481152466 /nfs/dbraw/zinc/15/24/66/481152466.db2.gz WLZBRMUXPBJMJU-GOSISDBHSA-N 1 3 332.492 2.512 20 0 EFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483969 481152533 /nfs/dbraw/zinc/15/25/33/481152533.db2.gz WBRADOZJHJOWET-YQVWRLOYSA-N 1 3 344.503 2.605 20 0 EFADHO O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483996 481152771 /nfs/dbraw/zinc/15/27/71/481152771.db2.gz XUYYGAATIYLSIZ-MOPGFXCFSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000669486830 481155161 /nfs/dbraw/zinc/15/51/61/481155161.db2.gz BVJSVNIWFWHDRW-SJLPKXTDSA-N 1 3 344.503 2.653 20 0 EFADHO O=C1CC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]2N1 ZINC000661595774 481155466 /nfs/dbraw/zinc/15/54/66/481155466.db2.gz DWTFGDVEDCXLCO-WOJBJXKFSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000669491106 481158229 /nfs/dbraw/zinc/15/82/29/481158229.db2.gz MDORXLSGLXTKKY-RBUKOAKNSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000669491106 481158240 /nfs/dbraw/zinc/15/82/40/481158240.db2.gz MDORXLSGLXTKKY-RBUKOAKNSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000669519929 481176111 /nfs/dbraw/zinc/17/61/11/481176111.db2.gz XNLQQLGUMINUQG-QYZOEREBSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000669519927 481176442 /nfs/dbraw/zinc/17/64/42/481176442.db2.gz XNLQQLGUMINUQG-FHWLQOOXSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC000669521788 481177968 /nfs/dbraw/zinc/17/79/68/481177968.db2.gz XJIOKQYTRCXBCW-AEFFLSMTSA-N 1 3 344.503 2.562 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000669530015 481184329 /nfs/dbraw/zinc/18/43/29/481184329.db2.gz NUAIQOZBEFGHEE-MSOLQXFVSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[NH+](C)C ZINC000664341945 481188887 /nfs/dbraw/zinc/18/88/87/481188887.db2.gz NXHBRWUEJHZCRW-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000669562614 481209116 /nfs/dbraw/zinc/20/91/16/481209116.db2.gz ZWFLQAMKIFMTNE-GOSISDBHSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1nccn1CCCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661649513 481210484 /nfs/dbraw/zinc/21/04/84/481210484.db2.gz QITHURCMCQWKJP-FQEVSTJZSA-N 1 3 326.488 2.830 20 0 EFADHO Cc1nccn1CCCN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661649513 481210490 /nfs/dbraw/zinc/21/04/90/481210490.db2.gz QITHURCMCQWKJP-FQEVSTJZSA-N 1 3 326.488 2.830 20 0 EFADHO CCN(C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975052 481226275 /nfs/dbraw/zinc/22/62/75/481226275.db2.gz JKGCDUQRUDURRL-ROUUACIJSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000647975539 481227843 /nfs/dbraw/zinc/22/78/43/481227843.db2.gz BQKZOAOJUJJFQN-YRPNKDGESA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975735 481228054 /nfs/dbraw/zinc/22/80/54/481228054.db2.gz FJNWOGUESRUJEL-IXDOHACOSA-N 1 3 349.544 2.507 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCc2ccccc21 ZINC000647975366 481228530 /nfs/dbraw/zinc/22/85/30/481228530.db2.gz YGKVDBJYDJPCBG-RTBURBONSA-N 1 3 341.499 2.677 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976467 481230540 /nfs/dbraw/zinc/23/05/40/481230540.db2.gz OVPTYXIMBIMVOW-XCDZQEORSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977092 481230674 /nfs/dbraw/zinc/23/06/74/481230674.db2.gz XTXLLIFTBSFTAM-BHIYHBOVSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976787 481232330 /nfs/dbraw/zinc/23/23/30/481232330.db2.gz UKCYDIDGHXKYIJ-HOJAQTOUSA-N 1 3 343.515 2.918 20 0 EFADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978136 481233069 /nfs/dbraw/zinc/23/30/69/481233069.db2.gz NCDZDARKKOFMGE-MOPGFXCFSA-N 1 3 335.536 2.737 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977667 481234223 /nfs/dbraw/zinc/23/42/23/481234223.db2.gz FXHFTAMXEXKMIZ-QWHCGFSZSA-N 1 3 326.378 2.615 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995460 481243877 /nfs/dbraw/zinc/24/38/77/481243877.db2.gz OLDVFIKUJSOCRS-GDBMZVCRSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995460 481243886 /nfs/dbraw/zinc/24/38/86/481243886.db2.gz OLDVFIKUJSOCRS-GDBMZVCRSA-N 1 3 331.460 2.677 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650657393 481243976 /nfs/dbraw/zinc/24/39/76/481243976.db2.gz YFNCECJETCGFEX-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650657393 481243985 /nfs/dbraw/zinc/24/39/85/481243985.db2.gz YFNCECJETCGFEX-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000642694776 481244161 /nfs/dbraw/zinc/24/41/61/481244161.db2.gz YQAFSXILFYLYPO-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000646381125 481262416 /nfs/dbraw/zinc/26/24/16/481262416.db2.gz IJEBNNXVONGNCA-RTBURBONSA-N 1 3 329.488 2.600 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000667041803 481272390 /nfs/dbraw/zinc/27/23/90/481272390.db2.gz VJDLBEPYHNJNRA-RTBURBONSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC000650706731 481275682 /nfs/dbraw/zinc/27/56/82/481275682.db2.gz ROTBCONUMVJLSI-QWFCFKBJSA-N 1 3 340.471 2.591 20 0 EFADHO CCCn1nc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650706172 481276153 /nfs/dbraw/zinc/27/61/53/481276153.db2.gz FQVMGOKSIFJVGN-LNLFQRSKSA-N 1 3 334.508 2.628 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000650706151 481276184 /nfs/dbraw/zinc/27/61/84/481276184.db2.gz FHZGPPLVSNMOQH-IMJJTQAJSA-N 1 3 346.500 2.857 20 0 EFADHO CCn1nc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc21 ZINC000650707473 481278195 /nfs/dbraw/zinc/27/81/95/481278195.db2.gz GURGENAOVOBYFP-YRNRMSPPSA-N 1 3 342.487 2.775 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)C1 ZINC000650722311 481289932 /nfs/dbraw/zinc/28/99/32/481289932.db2.gz PFASCALHYMIHTJ-YZGWKJHDSA-N 1 3 340.471 2.733 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(N3CCCC3)nc2)C1 ZINC000650723890 481291440 /nfs/dbraw/zinc/29/14/40/481291440.db2.gz VOLDXUZZCCBDNZ-GUDVDZBRSA-N 1 3 344.503 2.543 20 0 EFADHO CCn1nc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c2ccccc21 ZINC000650723867 481291689 /nfs/dbraw/zinc/29/16/89/481291689.db2.gz VDIRFKBXOQRLJQ-YSGRDPCXSA-N 1 3 342.487 2.917 20 0 EFADHO Cc1ccc2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)n2c1 ZINC000650723043 481292954 /nfs/dbraw/zinc/29/29/54/481292954.db2.gz GQQAIQSZAWDIHK-JQHSSLGASA-N 1 3 328.460 2.504 20 0 EFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000646483081 481325550 /nfs/dbraw/zinc/32/55/50/481325550.db2.gz ZSDJYLFURASSOV-VQIMIIECSA-N 1 3 329.488 2.837 20 0 EFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000650764617 481326635 /nfs/dbraw/zinc/32/66/35/481326635.db2.gz GEIISTGRZXEIGB-DZJNRPSUSA-N 1 3 329.488 2.663 20 0 EFADHO NC1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC2(CCC2)C1 ZINC000659276330 481328378 /nfs/dbraw/zinc/32/83/78/481328378.db2.gz TWMXXOPABGAMAL-UHFFFAOYSA-N 1 3 333.520 2.953 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000659286825 481336207 /nfs/dbraw/zinc/33/62/07/481336207.db2.gz RCJHOUYVNRMGIL-INIZCTEOSA-N 1 3 341.499 2.990 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659287443 481337713 /nfs/dbraw/zinc/33/77/13/481337713.db2.gz OKUFKZNHPSLIAY-SJLPKXTDSA-N 1 3 341.499 2.817 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000659287443 481337717 /nfs/dbraw/zinc/33/77/17/481337717.db2.gz OKUFKZNHPSLIAY-SJLPKXTDSA-N 1 3 341.499 2.817 20 0 EFADHO CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659288484 481337755 /nfs/dbraw/zinc/33/77/55/481337755.db2.gz YIKLFLPDGKIUHL-ZIFCJYIRSA-N 1 3 327.472 2.696 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNCC4)cc21 ZINC000659296631 481345821 /nfs/dbraw/zinc/34/58/21/481345821.db2.gz GZBMLCRAWFXWMV-KRWDZBQOSA-N 1 3 335.451 2.963 20 0 EFADHO C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318495 481358995 /nfs/dbraw/zinc/35/89/95/481358995.db2.gz CYVIRDIQBLRFQU-AEFFLSMTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318495 481359005 /nfs/dbraw/zinc/35/90/05/481359005.db2.gz CYVIRDIQBLRFQU-AEFFLSMTSA-N 1 3 341.499 2.675 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664599186 481360898 /nfs/dbraw/zinc/36/08/98/481360898.db2.gz LJMZIJWVAIPJFP-KRWDZBQOSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664599186 481360905 /nfs/dbraw/zinc/36/09/05/481360905.db2.gz LJMZIJWVAIPJFP-KRWDZBQOSA-N 1 3 325.456 2.887 20 0 EFADHO N[C@@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659326065 481363170 /nfs/dbraw/zinc/36/31/70/481363170.db2.gz WMYDJXJMASNCQX-QZTJIDSGSA-N 1 3 335.451 2.595 20 0 EFADHO CN1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653618092 481365656 /nfs/dbraw/zinc/36/56/56/481365656.db2.gz IBLWDZOBCJAELC-KBXCAEBGSA-N 1 3 330.476 2.699 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661878392 481385957 /nfs/dbraw/zinc/38/59/57/481385957.db2.gz NLNHGHCCGFOCPL-PMACEKPBSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661878392 481385960 /nfs/dbraw/zinc/38/59/60/481385960.db2.gz NLNHGHCCGFOCPL-PMACEKPBSA-N 1 3 337.552 2.684 20 0 EFADHO O[C@]1(CN2CC[C@H](c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639645292 481392848 /nfs/dbraw/zinc/39/28/48/481392848.db2.gz GOCRMUCFVMJSOI-SFTDATJTSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@]1(CN2CC[C@H](c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639645292 481392858 /nfs/dbraw/zinc/39/28/58/481392858.db2.gz GOCRMUCFVMJSOI-SFTDATJTSA-N 1 3 337.467 2.508 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661899414 481402071 /nfs/dbraw/zinc/40/20/71/481402071.db2.gz WTJLZOVOBIPXRF-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661899414 481402078 /nfs/dbraw/zinc/40/20/78/481402078.db2.gz WTJLZOVOBIPXRF-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646610629 481404144 /nfs/dbraw/zinc/40/41/44/481404144.db2.gz DJCAHSSXORJZQI-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646610629 481404151 /nfs/dbraw/zinc/40/41/51/481404151.db2.gz DJCAHSSXORJZQI-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646664924 481425621 /nfs/dbraw/zinc/42/56/21/481425621.db2.gz BHTCQRHCKAMKRX-UYAOXDASSA-N 1 3 343.515 2.857 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000646678590 481430584 /nfs/dbraw/zinc/43/05/84/481430584.db2.gz RSKWJBHWCGLXJM-FQEVSTJZSA-N 1 3 343.515 2.714 20 0 EFADHO O[C@]1(CN2CC[C@@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692553 481432448 /nfs/dbraw/zinc/43/24/48/481432448.db2.gz GFNXWUUUNRSQLC-RTWAWAEBSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@]1(CN2CC[C@@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692553 481432452 /nfs/dbraw/zinc/43/24/52/481432452.db2.gz GFNXWUUUNRSQLC-RTWAWAEBSA-N 1 3 337.467 2.508 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000646690471 481436724 /nfs/dbraw/zinc/43/67/24/481436724.db2.gz CUMQZYZBTKWEMT-QGZVFWFLSA-N 1 3 335.467 2.542 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000650918790 481439052 /nfs/dbraw/zinc/43/90/52/481439052.db2.gz KZMWGYFUZPTDGY-IAGOWNOFSA-N 1 3 338.540 2.813 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000650918790 481439054 /nfs/dbraw/zinc/43/90/54/481439054.db2.gz KZMWGYFUZPTDGY-IAGOWNOFSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659443272 481439136 /nfs/dbraw/zinc/43/91/36/481439136.db2.gz YRGZLUHKYVMKOG-FPAYPSAMSA-N 1 3 344.503 2.591 20 0 EFADHO CCCN1CC[C@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000661951416 481439154 /nfs/dbraw/zinc/43/91/54/481439154.db2.gz MZGFBRLZULSXER-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000661951202 481439750 /nfs/dbraw/zinc/43/97/50/481439750.db2.gz JYBZORWDNAUKNU-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000661951202 481439757 /nfs/dbraw/zinc/43/97/57/481439757.db2.gz JYBZORWDNAUKNU-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000659444947 481439882 /nfs/dbraw/zinc/43/98/82/481439882.db2.gz JQNKFPQELJWHJH-KRWDZBQOSA-N 1 3 332.492 2.511 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000661951193 481439865 /nfs/dbraw/zinc/43/98/65/481439865.db2.gz JYBZORWDNAUKNU-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000661951193 481439875 /nfs/dbraw/zinc/43/98/75/481439875.db2.gz JYBZORWDNAUKNU-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO Cn1c2ccccc2nc1CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639702942 481440824 /nfs/dbraw/zinc/44/08/24/481440824.db2.gz IDODVFLDGUGEET-UHFFFAOYSA-N 1 3 335.455 2.723 20 0 EFADHO Cn1c2ccccc2nc1CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639702942 481440827 /nfs/dbraw/zinc/44/08/27/481440827.db2.gz IDODVFLDGUGEET-UHFFFAOYSA-N 1 3 335.455 2.723 20 0 EFADHO CCCN1CC[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000661952815 481441603 /nfs/dbraw/zinc/44/16/03/481441603.db2.gz IJKRFYXPGLVKFS-KRWDZBQOSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H](C(N)=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639725976 481461977 /nfs/dbraw/zinc/46/19/77/481461977.db2.gz PAYGFQXPPDDJCQ-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453143 481473949 /nfs/dbraw/zinc/47/39/49/481473949.db2.gz JNDPVSCHRBKQEC-IHETXDGRSA-N 1 3 337.895 2.508 20 0 EFADHO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000643452037 481474446 /nfs/dbraw/zinc/47/44/46/481474446.db2.gz PTIASGXNURTGDF-CZUORRHYSA-N 1 3 327.428 2.512 20 0 EFADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643457592 481476062 /nfs/dbraw/zinc/47/60/62/481476062.db2.gz PHCUNIRYOCGSEW-CGTJXYLNSA-N 1 3 332.488 2.720 20 0 EFADHO FC(F)(F)c1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643456692 481476370 /nfs/dbraw/zinc/47/63/70/481476370.db2.gz ZXHLHOBHJDECBD-YESZJQIVSA-N 1 3 342.405 2.995 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659512923 481477344 /nfs/dbraw/zinc/47/73/44/481477344.db2.gz RWYOZMOENNXRPW-QZTJIDSGSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659512923 481477350 /nfs/dbraw/zinc/47/73/50/481477350.db2.gz RWYOZMOENNXRPW-QZTJIDSGSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000643462269 481478375 /nfs/dbraw/zinc/47/83/75/481478375.db2.gz SMELIQBLWCVYAK-CWFSZBLJSA-N 1 3 341.455 2.503 20 0 EFADHO OCC1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000643466277 481480941 /nfs/dbraw/zinc/48/09/41/481480941.db2.gz QKNJMXMLMYDZOI-XLIONFOSSA-N 1 3 330.472 2.775 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000637373734 481490004 /nfs/dbraw/zinc/49/00/04/481490004.db2.gz RFAPFCKTLDVEPR-KBAYOESNSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000637373734 481490012 /nfs/dbraw/zinc/49/00/12/481490012.db2.gz RFAPFCKTLDVEPR-KBAYOESNSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523449 481496274 /nfs/dbraw/zinc/49/62/74/481496274.db2.gz JZGDMCNBRMDROS-CYBMUJFWSA-N 1 3 327.403 2.936 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523449 481496284 /nfs/dbraw/zinc/49/62/84/481496284.db2.gz JZGDMCNBRMDROS-CYBMUJFWSA-N 1 3 327.403 2.936 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523450 481496913 /nfs/dbraw/zinc/49/69/13/481496913.db2.gz JZGDMCNBRMDROS-ZDUSSCGKSA-N 1 3 327.403 2.936 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523450 481496921 /nfs/dbraw/zinc/49/69/21/481496921.db2.gz JZGDMCNBRMDROS-ZDUSSCGKSA-N 1 3 327.403 2.936 20 0 EFADHO F[C@@H]1CN[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000643538675 481499012 /nfs/dbraw/zinc/49/90/12/481499012.db2.gz REYKNRGYLGMTNA-OMZCGLGVSA-N 1 3 331.479 2.719 20 0 EFADHO CN(C(=O)NCC1([NH3+])CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000659571881 481500017 /nfs/dbraw/zinc/50/00/17/481500017.db2.gz MMKCRVIYQPSSHH-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000643547364 481500726 /nfs/dbraw/zinc/50/07/26/481500726.db2.gz DJWLKVLRZZUPRG-MOPGFXCFSA-N 1 3 339.487 2.982 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000643547367 481500861 /nfs/dbraw/zinc/50/08/61/481500861.db2.gz DJWLKVLRZZUPRG-RTBURBONSA-N 1 3 339.487 2.982 20 0 EFADHO C[C@H]1CCN(C(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659574751 481500927 /nfs/dbraw/zinc/50/09/27/481500927.db2.gz YHTWBCOBQJUGRV-KRWDZBQOSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659573216 481501022 /nfs/dbraw/zinc/50/10/22/481501022.db2.gz MODNHXPTCJOKKP-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659573556 481501507 /nfs/dbraw/zinc/50/15/07/481501507.db2.gz POYLLKNLBPDSMO-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000659623346 481520983 /nfs/dbraw/zinc/52/09/83/481520983.db2.gz ZPJNBPLEDKXQFO-RBUKOAKNSA-N 1 3 346.519 2.666 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000648426525 481537310 /nfs/dbraw/zinc/53/73/10/481537310.db2.gz BGGKIPWHLJJMMG-WGMWDUQUSA-N 1 3 345.531 2.870 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000653936347 481544253 /nfs/dbraw/zinc/54/42/53/481544253.db2.gz RQWYVTCHQDHPMZ-MSOLQXFVSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000653936347 481544248 /nfs/dbraw/zinc/54/42/48/481544248.db2.gz RQWYVTCHQDHPMZ-MSOLQXFVSA-N 1 3 330.476 2.887 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648450527 481555587 /nfs/dbraw/zinc/55/55/87/481555587.db2.gz RGFBOTUPTKCSAA-KBXCAEBGSA-N 1 3 337.458 2.826 20 0 EFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000648466364 481565751 /nfs/dbraw/zinc/56/57/51/481565751.db2.gz QFWYPSCGABOKJK-AZUAARDMSA-N 1 3 332.488 2.691 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000637504096 481573189 /nfs/dbraw/zinc/57/31/89/481573189.db2.gz IMTUATZYBUNAMZ-OALUTQOASA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646987427 481588065 /nfs/dbraw/zinc/58/80/65/481588065.db2.gz WWIRZCPNFWBIRF-YLJYHZDGSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647064224 481623745 /nfs/dbraw/zinc/62/37/45/481623745.db2.gz MAHXLSMUZVAVFI-SJORKVTESA-N 1 3 347.503 2.797 20 0 EFADHO CC[N@H+](CCCNC(=O)N(C)CCN(C)C1CC1)C1CCCCC1 ZINC000651220113 481638540 /nfs/dbraw/zinc/63/85/40/481638540.db2.gz SMYMTYMTFUQQSO-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC(=O)N(C)CCN(C)C1CC1)C1CCCCC1 ZINC000651220113 481638542 /nfs/dbraw/zinc/63/85/42/481638542.db2.gz SMYMTYMTFUQQSO-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]C3CCc4ccccc4CC3)C2)CC1 ZINC000651228252 481645197 /nfs/dbraw/zinc/64/51/97/481645197.db2.gz DQRHJCQNDDHHPG-FQEVSTJZSA-N 1 3 327.516 2.692 20 0 EFADHO COc1ccc(CCC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662248829 481664766 /nfs/dbraw/zinc/66/47/66/481664766.db2.gz KFUBBRAYIGJYCD-HXUWFJFHSA-N 1 3 344.499 2.861 20 0 EFADHO CCCCN(C)C(=O)C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662251947 481666372 /nfs/dbraw/zinc/66/63/72/481666372.db2.gz GQYYLKBYZAKIAJ-UHFFFAOYSA-N 1 3 343.515 2.803 20 0 EFADHO CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258796 481672326 /nfs/dbraw/zinc/67/23/26/481672326.db2.gz XRAFHXWJTCXTTO-MRXNPFEDSA-N 1 3 343.515 2.707 20 0 EFADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258796 481672333 /nfs/dbraw/zinc/67/23/33/481672333.db2.gz XRAFHXWJTCXTTO-MRXNPFEDSA-N 1 3 343.515 2.707 20 0 EFADHO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258796 481672337 /nfs/dbraw/zinc/67/23/37/481672337.db2.gz XRAFHXWJTCXTTO-MRXNPFEDSA-N 1 3 343.515 2.707 20 0 EFADHO c1ccc2sc(C3CCN(C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC000662258106 481672687 /nfs/dbraw/zinc/67/26/87/481672687.db2.gz IEUHBZIXLOATAM-HNNXBMFYSA-N 1 3 343.496 2.997 20 0 EFADHO c1csc(N2CCCN(Cc3cccc4c3CC[NH2+]C4)CC2)n1 ZINC000662259864 481674835 /nfs/dbraw/zinc/67/48/35/481674835.db2.gz CQVRVNPHMUQPJC-UHFFFAOYSA-N 1 3 328.485 2.501 20 0 EFADHO Cc1c(Br)cncc1CN(C)CC1CC[NH+](C)CC1 ZINC000667597275 481675299 /nfs/dbraw/zinc/67/52/99/481675299.db2.gz IILYIAKIKGFEFR-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CC(C)c1csc([C@@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662265143 481679515 /nfs/dbraw/zinc/67/95/15/481679515.db2.gz VCMZWJLBAQBHHA-CABCVRRESA-N 1 3 335.517 2.967 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CO[C@H](C)C3)CC2)c1 ZINC000647170024 481679760 /nfs/dbraw/zinc/67/97/60/481679760.db2.gz KWBAQUIMANNHIS-MOPGFXCFSA-N 1 3 331.504 2.664 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279505 481685840 /nfs/dbraw/zinc/68/58/40/481685840.db2.gz KRXOYCOVTVZKSJ-BQFCYCMXSA-N 1 3 330.472 2.989 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279505 481685845 /nfs/dbraw/zinc/68/58/45/481685845.db2.gz KRXOYCOVTVZKSJ-BQFCYCMXSA-N 1 3 330.472 2.989 20 0 EFADHO CO[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@](C)(CO)C1 ZINC000640005661 481687625 /nfs/dbraw/zinc/68/76/25/481687625.db2.gz RXBBEZXVHZUFRC-WOJBJXKFSA-N 1 3 332.488 2.644 20 0 EFADHO CO[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@](C)(CO)C1 ZINC000640004483 481687755 /nfs/dbraw/zinc/68/77/55/481687755.db2.gz MWPRHXQDQRSANN-WOJBJXKFSA-N 1 3 332.488 2.644 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC000648715739 481688826 /nfs/dbraw/zinc/68/88/26/481688826.db2.gz DUQNYGJUVHUQAD-BRWVUGGUSA-N 1 3 349.544 2.978 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC000648715739 481688833 /nfs/dbraw/zinc/68/88/33/481688833.db2.gz DUQNYGJUVHUQAD-BRWVUGGUSA-N 1 3 349.544 2.978 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291019 481692897 /nfs/dbraw/zinc/69/28/97/481692897.db2.gz NFJGMGPAVJKLFK-PXNSSMCTSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290753 481694043 /nfs/dbraw/zinc/69/40/43/481694043.db2.gz JLWHZUSQJZPPMB-PXNSSMCTSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291976 481694790 /nfs/dbraw/zinc/69/47/90/481694790.db2.gz ZWOFCSXLAVAQDX-NTDBWNAOSA-N 1 3 335.536 2.591 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293040 481697116 /nfs/dbraw/zinc/69/71/16/481697116.db2.gz ITSBKECOUZQXMP-MJGOQNOKSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293260 481698205 /nfs/dbraw/zinc/69/82/05/481698205.db2.gz FHVCAVBCKGGMFL-MJQMVNBJSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662295095 481700186 /nfs/dbraw/zinc/70/01/86/481700186.db2.gz DYHADIDRVBZVTQ-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1ccc(Cl)cc1 ZINC000662295352 481700345 /nfs/dbraw/zinc/70/03/45/481700345.db2.gz QMXOBPTZUWUYGK-QGZVFWFLSA-N 1 3 349.906 2.668 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294819 481700560 /nfs/dbraw/zinc/70/05/60/481700560.db2.gz NYOGJRNNCKUKPQ-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294188 481700908 /nfs/dbraw/zinc/70/09/08/481700908.db2.gz BVKXQVSQEGMCGZ-CRAIPNDOSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294083 481701162 /nfs/dbraw/zinc/70/11/62/481701162.db2.gz ATYSXDXFHKBGPD-RDJZCZTQSA-N 1 3 349.544 2.507 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(CC[C@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012334 481701155 /nfs/dbraw/zinc/70/11/55/481701155.db2.gz SUYBXUZPGMOUIN-QGPMSJSTSA-N 1 3 345.512 2.906 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(CC[C@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012334 481701157 /nfs/dbraw/zinc/70/11/57/481701157.db2.gz SUYBXUZPGMOUIN-QGPMSJSTSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC[C@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012334 481701165 /nfs/dbraw/zinc/70/11/65/481701165.db2.gz SUYBXUZPGMOUIN-QGPMSJSTSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC[C@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012334 481701167 /nfs/dbraw/zinc/70/11/67/481701167.db2.gz SUYBXUZPGMOUIN-QGPMSJSTSA-N 1 3 345.512 2.906 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297849 481704513 /nfs/dbraw/zinc/70/45/13/481704513.db2.gz SKZNEMGMZWFQQY-RDJZCZTQSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298673 481704742 /nfs/dbraw/zinc/70/47/42/481704742.db2.gz WRBSEYVTXJVYBD-HOCLYGCPSA-N 1 3 333.451 2.864 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298770 481705135 /nfs/dbraw/zinc/70/51/35/481705135.db2.gz XUAMNOWITCSEMY-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298671 481706233 /nfs/dbraw/zinc/70/62/33/481706233.db2.gz WRBSEYVTXJVYBD-GOEBONIOSA-N 1 3 333.451 2.864 20 0 EFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N(C1CC1)C1CCCC1 ZINC000662299061 481706301 /nfs/dbraw/zinc/70/63/01/481706301.db2.gz ZJCXUQMVSSFPHO-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C3[C@H]4CCCCCC[C@H]34)CC2)CC1 ZINC000667641779 481706643 /nfs/dbraw/zinc/70/66/43/481706643.db2.gz CZTITCYVHYAVAR-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662311239 481715779 /nfs/dbraw/zinc/71/57/79/481715779.db2.gz AKEKWMMLNQBIEC-QWFCFKBJSA-N 1 3 345.531 2.882 20 0 EFADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)[C@@H]1CCC[NH3+] ZINC000662316264 481719260 /nfs/dbraw/zinc/71/92/60/481719260.db2.gz VJUVZMPAEOXHDM-CRAIPNDOSA-N 1 3 335.467 2.624 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317440 481721218 /nfs/dbraw/zinc/72/12/18/481721218.db2.gz PLOFFNYBPXZBTA-FXAWDEMLSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317440 481721224 /nfs/dbraw/zinc/72/12/24/481721224.db2.gz PLOFFNYBPXZBTA-FXAWDEMLSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000662317440 481721233 /nfs/dbraw/zinc/72/12/33/481721233.db2.gz PLOFFNYBPXZBTA-FXAWDEMLSA-N 1 3 326.440 2.891 20 0 EFADHO [NH3+][C@@H](CCC(=O)Nc1cnc2c(c1)CNCC2)CC1CCCCC1 ZINC000644103231 481724474 /nfs/dbraw/zinc/72/44/74/481724474.db2.gz MHCHYWDSDREERT-INIZCTEOSA-N 1 3 330.476 2.744 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000648765329 481726390 /nfs/dbraw/zinc/72/63/90/481726390.db2.gz CQEASYJTQXICPY-BHIYHBOVSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000648765329 481726395 /nfs/dbraw/zinc/72/63/95/481726395.db2.gz CQEASYJTQXICPY-BHIYHBOVSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ncccc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326729 481727960 /nfs/dbraw/zinc/72/79/60/481727960.db2.gz AWUADTJJKOSHSQ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1ncccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326729 481727969 /nfs/dbraw/zinc/72/79/69/481727969.db2.gz AWUADTJJKOSHSQ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(COC)cs2)C1 ZINC000667681342 481733085 /nfs/dbraw/zinc/73/30/85/481733085.db2.gz GUPPETNMFKZSOG-MRXNPFEDSA-N 1 3 326.506 2.827 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335742 481734184 /nfs/dbraw/zinc/73/41/84/481734184.db2.gz PRYGWGCPMFQSBJ-AEFFLSMTSA-N 1 3 339.487 2.760 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335742 481734194 /nfs/dbraw/zinc/73/41/94/481734194.db2.gz PRYGWGCPMFQSBJ-AEFFLSMTSA-N 1 3 339.487 2.760 20 0 EFADHO COc1ccc([C@H](N[C@H]2CCN(C(C)(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000665236687 481737835 /nfs/dbraw/zinc/73/78/35/481737835.db2.gz SADFYEKBCWDYNN-UHOSZYNNSA-N 1 3 331.504 2.951 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000660075586 481742427 /nfs/dbraw/zinc/74/24/27/481742427.db2.gz YYOXWMBIUHRIFU-PMACEKPBSA-N 1 3 327.516 2.818 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000660075586 481742431 /nfs/dbraw/zinc/74/24/31/481742431.db2.gz YYOXWMBIUHRIFU-PMACEKPBSA-N 1 3 327.516 2.818 20 0 EFADHO C[C@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000665253573 481748724 /nfs/dbraw/zinc/74/87/24/481748724.db2.gz WCPPLWDCIZRQNA-UETVFIHBSA-N 1 3 335.442 2.625 20 0 EFADHO COc1ccc(-c2cc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000665262322 481756198 /nfs/dbraw/zinc/75/61/98/481756198.db2.gz YOXLPOHRUMFJRE-OWCLPIDISA-N 1 3 327.428 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000648810015 481759883 /nfs/dbraw/zinc/75/98/83/481759883.db2.gz JUVPETQCHSYLQE-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000648810015 481759889 /nfs/dbraw/zinc/75/98/89/481759889.db2.gz JUVPETQCHSYLQE-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667724121 481761801 /nfs/dbraw/zinc/76/18/01/481761801.db2.gz XQYKKSTYCMOSFW-CRAIPNDOSA-N 1 3 328.460 2.626 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667724121 481761809 /nfs/dbraw/zinc/76/18/09/481761809.db2.gz XQYKKSTYCMOSFW-CRAIPNDOSA-N 1 3 328.460 2.626 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CCCCC1 ZINC000665276047 481764354 /nfs/dbraw/zinc/76/43/54/481764354.db2.gz XNNLKUXHXNQDET-OKZBNKHCSA-N 1 3 335.536 2.973 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000667726649 481764719 /nfs/dbraw/zinc/76/47/19/481764719.db2.gz VUXCELGIIXRWRY-IBGZPJMESA-N 1 3 338.455 2.931 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C(=O)NCc1cccs1 ZINC000647332859 481764943 /nfs/dbraw/zinc/76/49/43/481764943.db2.gz GHZCIGRQKDQHHG-QGZVFWFLSA-N 1 3 335.517 2.607 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)N(C)Cc1ccccc1 ZINC000667728148 481765550 /nfs/dbraw/zinc/76/55/50/481765550.db2.gz NTXCRDBYLRNVTG-HNNXBMFYSA-N 1 3 326.444 2.787 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)N(C)Cc1ccccc1 ZINC000667728149 481766106 /nfs/dbraw/zinc/76/61/06/481766106.db2.gz NTXCRDBYLRNVTG-OAHLLOKOSA-N 1 3 326.444 2.787 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000644191064 481768413 /nfs/dbraw/zinc/76/84/13/481768413.db2.gz AUBQSQOWIFZSAF-MSOLQXFVSA-N 1 3 330.476 2.933 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000644191064 481768424 /nfs/dbraw/zinc/76/84/24/481768424.db2.gz AUBQSQOWIFZSAF-MSOLQXFVSA-N 1 3 330.476 2.933 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000667733930 481770415 /nfs/dbraw/zinc/77/04/15/481770415.db2.gz OFBSCVZKKDYCDF-GOSISDBHSA-N 1 3 342.443 2.578 20 0 EFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000665288958 481771269 /nfs/dbraw/zinc/77/12/69/481771269.db2.gz BSAJUUXTRKBYTE-JCHJZTRSSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H]1CCCNC1 ZINC000665288958 481771277 /nfs/dbraw/zinc/77/12/77/481771277.db2.gz BSAJUUXTRKBYTE-JCHJZTRSSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@H](CCNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCCCC1 ZINC000667745723 481780660 /nfs/dbraw/zinc/78/06/60/481780660.db2.gz SOUYBDBVYUFIHO-OAHLLOKOSA-N 1 3 330.476 2.718 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)C[C@H]2NCc3ccccc32)([NH+](C)C)C1 ZINC000662401361 481786128 /nfs/dbraw/zinc/78/61/28/481786128.db2.gz SASOCUOJEBDPHF-XFQXTVEOSA-N 1 3 329.488 2.848 20 0 EFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000648852770 481787315 /nfs/dbraw/zinc/78/73/15/481787315.db2.gz CHXPSZWPNSDALM-SWBPCFCJSA-N 1 3 341.499 2.531 20 0 EFADHO CCN1CC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000660151018 481788694 /nfs/dbraw/zinc/78/86/94/481788694.db2.gz XBWBHOLEXZIQMH-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CCN1CC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000660151018 481788697 /nfs/dbraw/zinc/78/86/97/481788697.db2.gz XBWBHOLEXZIQMH-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000660155937 481791878 /nfs/dbraw/zinc/79/18/78/481791878.db2.gz FDXCFZIRVXSWGU-UHFFFAOYSA-N 1 3 334.508 2.664 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(C)nc(C)n2)CC1 ZINC000660155937 481791886 /nfs/dbraw/zinc/79/18/86/481791886.db2.gz FDXCFZIRVXSWGU-UHFFFAOYSA-N 1 3 334.508 2.664 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637841811 481803743 /nfs/dbraw/zinc/80/37/43/481803743.db2.gz PWROHCVCZHZCCP-SFHVURJKSA-N 1 3 335.451 2.793 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637841811 481803753 /nfs/dbraw/zinc/80/37/53/481803753.db2.gz PWROHCVCZHZCCP-SFHVURJKSA-N 1 3 335.451 2.793 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)Nc1cnc2c(c1)CNCC2)CC(C)C ZINC000667792326 481807720 /nfs/dbraw/zinc/80/77/20/481807720.db2.gz VXIHQPBAOKZWKA-KRWDZBQOSA-N 1 3 347.507 2.605 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662441133 481808212 /nfs/dbraw/zinc/80/82/12/481808212.db2.gz JHUFWUJRPWWPPD-HKUYNNGSSA-N 1 3 327.472 2.698 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662444053 481809403 /nfs/dbraw/zinc/80/94/03/481809403.db2.gz DIOJBISUBGICRQ-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662444053 481809404 /nfs/dbraw/zinc/80/94/04/481809404.db2.gz DIOJBISUBGICRQ-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000654349129 481809544 /nfs/dbraw/zinc/80/95/44/481809544.db2.gz YJDJDZSPZHKSNZ-IRXDYDNUSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000648894266 481814465 /nfs/dbraw/zinc/81/44/65/481814465.db2.gz UDCPPEABESFQCH-QRQLOZEOSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000648894266 481814477 /nfs/dbraw/zinc/81/44/77/481814477.db2.gz UDCPPEABESFQCH-QRQLOZEOSA-N 1 3 343.515 2.744 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc2c(s1)CCNC2 ZINC000662488259 481835525 /nfs/dbraw/zinc/83/55/25/481835525.db2.gz TYDNXDKNPCYHHF-UHFFFAOYSA-N 1 3 347.528 2.921 20 0 EFADHO C[N@H+](CCCNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662525644 481859856 /nfs/dbraw/zinc/85/98/56/481859856.db2.gz JQDPMSNCXUXHBN-UHFFFAOYSA-N 1 3 335.517 2.778 20 0 EFADHO C[N@@H+](CCCNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662525644 481859863 /nfs/dbraw/zinc/85/98/63/481859863.db2.gz JQDPMSNCXUXHBN-UHFFFAOYSA-N 1 3 335.517 2.778 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000660275154 481870288 /nfs/dbraw/zinc/87/02/88/481870288.db2.gz QXBIQGKNPBGJHZ-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000662570762 481880623 /nfs/dbraw/zinc/88/06/23/481880623.db2.gz HZGOORROTLRLMY-OAHLLOKOSA-N 1 3 342.468 2.783 20 0 EFADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000662587577 481889016 /nfs/dbraw/zinc/88/90/16/481889016.db2.gz HXPYXBXWSFKXHL-IPELMVKDSA-N 1 3 329.488 2.561 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312367 481889398 /nfs/dbraw/zinc/88/93/98/481889398.db2.gz QEMJUYSSCLLFGB-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312367 481889404 /nfs/dbraw/zinc/88/94/04/481889404.db2.gz QEMJUYSSCLLFGB-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000654469422 481890026 /nfs/dbraw/zinc/89/00/26/481890026.db2.gz ZDADFASBGDDQHC-MSOLQXFVSA-N 1 3 338.540 2.811 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662589509 481890400 /nfs/dbraw/zinc/89/04/00/481890400.db2.gz JBISPPPSMGUEAQ-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(CC2CCC2)CC1 ZINC000665478331 481890487 /nfs/dbraw/zinc/89/04/87/481890487.db2.gz NNANJXXKJDDGRD-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(CC2CCC2)CC1 ZINC000665478331 481890491 /nfs/dbraw/zinc/89/04/91/481890491.db2.gz NNANJXXKJDDGRD-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000662596473 481893031 /nfs/dbraw/zinc/89/30/31/481893031.db2.gz STBJTOJTTNPIGY-MOPGFXCFSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502985 481904925 /nfs/dbraw/zinc/90/49/25/481904925.db2.gz YIJLTHIWZCKUNX-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502985 481904919 /nfs/dbraw/zinc/90/49/19/481904919.db2.gz YIJLTHIWZCKUNX-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000662673606 481927309 /nfs/dbraw/zinc/92/73/09/481927309.db2.gz NBRYJSSHNCPVLH-UHFFFAOYSA-N 1 3 341.499 2.737 20 0 EFADHO CC(C)[C@H](CNC(=O)c1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000662678756 481930444 /nfs/dbraw/zinc/93/04/44/481930444.db2.gz IDSLHDVWRXHKGB-FQEVSTJZSA-N 1 3 343.515 2.819 20 0 EFADHO NC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC2(CCC2)C1 ZINC000662696890 481938033 /nfs/dbraw/zinc/93/80/33/481938033.db2.gz YDRSUYWJQBCDBU-UHFFFAOYSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662696164 481938678 /nfs/dbraw/zinc/93/86/78/481938678.db2.gz VBVPDJAAQNGHEP-HNNXBMFYSA-N 1 3 329.488 2.573 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662696164 481938684 /nfs/dbraw/zinc/93/86/84/481938684.db2.gz VBVPDJAAQNGHEP-HNNXBMFYSA-N 1 3 329.488 2.573 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416836 481945819 /nfs/dbraw/zinc/94/58/19/481945819.db2.gz XHJMIQNKSVDZOB-WMLDXEAASA-N 1 3 333.501 2.906 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416836 481945822 /nfs/dbraw/zinc/94/58/22/481945822.db2.gz XHJMIQNKSVDZOB-WMLDXEAASA-N 1 3 333.501 2.906 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662744930 481956654 /nfs/dbraw/zinc/95/66/54/481956654.db2.gz AMBOQLVURSSNDL-OAHLLOKOSA-N 1 3 329.366 2.537 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@H]1c1cccs1 ZINC000662745266 481957123 /nfs/dbraw/zinc/95/71/23/481957123.db2.gz LCTXCJXYWRKJAG-KBMXLJTQSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)CN(C(=O)c1cc2c(s1)CCNC2)C1CC[NH+](C)CC1 ZINC000662787454 481970046 /nfs/dbraw/zinc/97/00/46/481970046.db2.gz AEFULIVIZZWFIW-UHFFFAOYSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788627 481970179 /nfs/dbraw/zinc/97/01/79/481970179.db2.gz PIHFAMYWPAYURN-SOLBZPMBSA-N 1 3 341.499 2.810 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788627 481970182 /nfs/dbraw/zinc/97/01/82/481970182.db2.gz PIHFAMYWPAYURN-SOLBZPMBSA-N 1 3 341.499 2.810 20 0 EFADHO [NH3+][C@H]1C[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000662789858 481971483 /nfs/dbraw/zinc/97/14/83/481971483.db2.gz DTIFXYLIHIDPCH-JCNLHEQBSA-N 1 3 335.879 2.502 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662794905 481972417 /nfs/dbraw/zinc/97/24/17/481972417.db2.gz RIXOVIRTQCVLAU-OAHLLOKOSA-N 1 3 329.366 2.537 20 0 EFADHO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cccc2c1CCNC2 ZINC000662813662 481981773 /nfs/dbraw/zinc/98/17/73/481981773.db2.gz CLBKPOUNVBRHRZ-UHFFFAOYSA-N 1 3 342.468 2.508 20 0 EFADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cccc2c1CCNC2 ZINC000662813911 481982061 /nfs/dbraw/zinc/98/20/61/481982061.db2.gz DVAJNMPWMXKZHY-UHFFFAOYSA-N 1 3 342.468 2.508 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1)C(C)C ZINC000662837150 481989719 /nfs/dbraw/zinc/98/97/19/481989719.db2.gz LLVVWTACMBNYTG-UHFFFAOYSA-N 1 3 343.475 2.670 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)Nc2nn(C)c(C)c2CN)cc1)C(C)C ZINC000662837150 481989724 /nfs/dbraw/zinc/98/97/24/481989724.db2.gz LLVVWTACMBNYTG-UHFFFAOYSA-N 1 3 343.475 2.670 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@H]3CCCN4CCCC[C@@H]34)cc21 ZINC000662836093 481990384 /nfs/dbraw/zinc/99/03/84/481990384.db2.gz VOXSFLCWOIGQNF-IHPCNDPISA-N 1 3 341.499 2.812 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000662845207 481993499 /nfs/dbraw/zinc/99/34/99/481993499.db2.gz FPGQGXVOTLEGJK-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@H+](CCCNC1CCN(C(=O)N(C)C)CC1)C1CCCCC1 ZINC000651910183 481998839 /nfs/dbraw/zinc/99/88/39/481998839.db2.gz KDTZGZMEDIYETK-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC1CCN(C(=O)N(C)C)CC1)C1CCCCC1 ZINC000651910183 481998845 /nfs/dbraw/zinc/99/88/45/481998845.db2.gz KDTZGZMEDIYETK-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@H+](CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910315 481999846 /nfs/dbraw/zinc/99/98/46/481999846.db2.gz PBGCUKURHRHQSU-SJLPKXTDSA-N 1 3 344.565 2.977 20 0 EFADHO CC[N@@H+](CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000651910315 481999849 /nfs/dbraw/zinc/99/98/49/481999849.db2.gz PBGCUKURHRHQSU-SJLPKXTDSA-N 1 3 344.565 2.977 20 0 EFADHO COc1cc2nccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000665691539 482000022 /nfs/dbraw/zinc/00/00/22/482000022.db2.gz DMHIWSKEAMGKKG-CYBMUJFWSA-N 1 3 327.428 2.570 20 0 EFADHO COc1cc2nccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2cc1OC ZINC000665691539 482000026 /nfs/dbraw/zinc/00/00/26/482000026.db2.gz DMHIWSKEAMGKKG-CYBMUJFWSA-N 1 3 327.428 2.570 20 0 EFADHO CCc1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2c1 ZINC000649268009 482003459 /nfs/dbraw/zinc/00/34/59/482003459.db2.gz RGAGGQGBCVLTGY-WOJBJXKFSA-N 1 3 325.456 2.833 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000654725382 482014578 /nfs/dbraw/zinc/01/45/78/482014578.db2.gz HDJMGDZPMZYENG-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000649293388 482016265 /nfs/dbraw/zinc/01/62/65/482016265.db2.gz RFSXNTKUKYAXNI-MSOLQXFVSA-N 1 3 343.515 2.687 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727229 482016704 /nfs/dbraw/zinc/01/67/04/482016704.db2.gz IEHBYAOPBWJNQT-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727229 482016708 /nfs/dbraw/zinc/01/67/08/482016708.db2.gz IEHBYAOPBWJNQT-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654728793 482017940 /nfs/dbraw/zinc/01/79/40/482017940.db2.gz BBDWEJFQJCPIHI-OKZBNKHCSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654728793 482017934 /nfs/dbraw/zinc/01/79/34/482017934.db2.gz BBDWEJFQJCPIHI-OKZBNKHCSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000654729333 482018276 /nfs/dbraw/zinc/01/82/76/482018276.db2.gz RVDXYAWWTYKALQ-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000654729333 482018273 /nfs/dbraw/zinc/01/82/73/482018273.db2.gz RVDXYAWWTYKALQ-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO c1cc([C@H]2C[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)CCO2)ccn1 ZINC000651967495 482019229 /nfs/dbraw/zinc/01/92/29/482019229.db2.gz IRWRRSRGJSNVFM-AZUAARDMSA-N 1 3 338.455 2.955 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000649311347 482023326 /nfs/dbraw/zinc/02/33/26/482023326.db2.gz JFJMYBGZXDYBNI-YSIASYRMSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000649311347 482023332 /nfs/dbraw/zinc/02/33/32/482023332.db2.gz JFJMYBGZXDYBNI-YSIASYRMSA-N 1 3 343.515 2.669 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654733415 482023947 /nfs/dbraw/zinc/02/39/47/482023947.db2.gz VCHOLHNTQMZJNI-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663004026 482031506 /nfs/dbraw/zinc/03/15/06/482031506.db2.gz NZJAHOPXWSKRDZ-MJGOQNOKSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663004026 482031512 /nfs/dbraw/zinc/03/15/12/482031512.db2.gz NZJAHOPXWSKRDZ-MJGOQNOKSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCCCC1 ZINC000649364154 482042600 /nfs/dbraw/zinc/04/26/00/482042600.db2.gz YSTBQJOCPINVGP-CEXWTWQISA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000649371245 482045759 /nfs/dbraw/zinc/04/57/59/482045759.db2.gz YMXHMIWPBZRETC-ULQDDVLXSA-N 1 3 347.503 2.795 20 0 EFADHO COc1ccc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)cc1F ZINC000649411165 482066330 /nfs/dbraw/zinc/06/63/30/482066330.db2.gz ZJRYUBZPEYMSJH-UHFFFAOYSA-N 1 3 349.494 2.732 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000660657835 482077150 /nfs/dbraw/zinc/07/71/50/482077150.db2.gz ATFSWEWWTMPOAQ-IBGZPJMESA-N 1 3 326.444 2.697 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000660657835 482077155 /nfs/dbraw/zinc/07/71/55/482077155.db2.gz ATFSWEWWTMPOAQ-IBGZPJMESA-N 1 3 326.444 2.697 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@]3(C(F)(F)F)CC[NH2+]C3)n2)cc1 ZINC000663155435 482090318 /nfs/dbraw/zinc/09/03/18/482090318.db2.gz IRYAJGWQZICVQA-HNNXBMFYSA-N 1 3 340.349 2.592 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000652191167 482119906 /nfs/dbraw/zinc/11/99/06/482119906.db2.gz MEEXTBZBXRHGTF-QFBILLFUSA-N 1 3 346.519 2.675 20 0 EFADHO NC[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000652210801 482127617 /nfs/dbraw/zinc/12/76/17/482127617.db2.gz HTNLXWCCCBNMQL-LJQANCHMSA-N 1 3 340.471 2.529 20 0 EFADHO CCCCCN(CCNC(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000652228910 482135615 /nfs/dbraw/zinc/13/56/15/482135615.db2.gz VTAALHFESFNYGJ-LJQANCHMSA-N 1 3 346.519 2.669 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CCCN2C)CC1 ZINC000649574686 482136424 /nfs/dbraw/zinc/13/64/24/482136424.db2.gz RJYKEXRVQCHCGG-FUHWJXTLSA-N 1 3 348.510 2.712 20 0 EFADHO CC(C)c1nc(CN[C@@H](C)CN(C)CCC[NH+](C)C)c2ccccn21 ZINC000668475254 482137330 /nfs/dbraw/zinc/13/73/30/482137330.db2.gz LMIYLUYSODEDAJ-KRWDZBQOSA-N 1 3 345.535 2.819 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655031446 482137968 /nfs/dbraw/zinc/13/79/68/482137968.db2.gz YCULLZMFBIALRE-QUCCMNQESA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655031446 482137973 /nfs/dbraw/zinc/13/79/73/482137973.db2.gz YCULLZMFBIALRE-QUCCMNQESA-N 1 3 341.499 2.642 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOCc3ccccc3)CC2)CC1 ZINC000660835786 482169971 /nfs/dbraw/zinc/16/99/71/482169971.db2.gz YHUIMNMSLZXTER-UHFFFAOYSA-N 1 3 345.531 2.695 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOCc3ccccc3)CC2)CC1 ZINC000660835786 482169976 /nfs/dbraw/zinc/16/99/76/482169976.db2.gz YHUIMNMSLZXTER-UHFFFAOYSA-N 1 3 345.531 2.695 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000652349431 482183525 /nfs/dbraw/zinc/18/35/25/482183525.db2.gz ORMDVYUGDXBTDY-BJJXKVORSA-N 1 3 343.393 2.819 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](CC)C2)N(C)C)cc1 ZINC000668657089 482203351 /nfs/dbraw/zinc/20/33/51/482203351.db2.gz CSMQQOSMLTVIGS-WDSOQIARSA-N 1 3 346.519 2.621 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H](O)CN(C)C(C)C)cc1 ZINC000660919496 482219028 /nfs/dbraw/zinc/21/90/28/482219028.db2.gz YNIZELVICUIOAW-RTBURBONSA-N 1 3 334.504 2.793 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@H](O)CN(C)C(C)C)cc1 ZINC000660919496 482219031 /nfs/dbraw/zinc/21/90/31/482219031.db2.gz YNIZELVICUIOAW-RTBURBONSA-N 1 3 334.504 2.793 20 0 EFADHO C[NH+](C)C1(CNC(=O)NCc2ccc3c(c2)CNC3)CCCCCC1 ZINC000668715684 482225073 /nfs/dbraw/zinc/22/50/73/482225073.db2.gz HWOZCNWIMBDJQQ-UHFFFAOYSA-N 1 3 344.503 2.744 20 0 EFADHO OC[C@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000668757044 482248920 /nfs/dbraw/zinc/24/89/20/482248920.db2.gz YJQPPVWOKUZJDW-SFHVURJKSA-N 1 3 333.382 2.652 20 0 EFADHO C[NH2+]CCCC(=O)N1CCC(NCc2cc3ccccc3o2)CC1 ZINC000663503191 482268224 /nfs/dbraw/zinc/26/82/24/482268224.db2.gz GTCGBZMNXJOSCB-UHFFFAOYSA-N 1 3 329.444 2.513 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000655353543 482278604 /nfs/dbraw/zinc/27/86/04/482278604.db2.gz UHZDFPSUNYGWEB-BHIYHBOVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000655353543 482278610 /nfs/dbraw/zinc/27/86/10/482278610.db2.gz UHZDFPSUNYGWEB-BHIYHBOVSA-N 1 3 333.520 2.774 20 0 EFADHO CN1CCN(CC[N@H+](C)Cc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000649827408 482282256 /nfs/dbraw/zinc/28/22/56/482282256.db2.gz NPJQSXBUJFEUOL-QFIPXVFZSA-N 1 3 337.511 2.977 20 0 EFADHO CN1CCN(CC[N@@H+](C)Cc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000649827408 482282265 /nfs/dbraw/zinc/28/22/65/482282265.db2.gz NPJQSXBUJFEUOL-QFIPXVFZSA-N 1 3 337.511 2.977 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000649835035 482287853 /nfs/dbraw/zinc/28/78/53/482287853.db2.gz XDMZGNOUFMEIIC-KRWDZBQOSA-N 1 3 343.515 2.637 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc2c(c1)CNC2 ZINC000663599979 482317312 /nfs/dbraw/zinc/31/73/12/482317312.db2.gz OEVAMLUHQLVIGR-HNNXBMFYSA-N 1 3 328.460 2.533 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc2c(c1)CNC2 ZINC000663599979 482317316 /nfs/dbraw/zinc/31/73/16/482317316.db2.gz OEVAMLUHQLVIGR-HNNXBMFYSA-N 1 3 328.460 2.533 20 0 EFADHO CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)c1[nH+]ccc2[nH]ccc21 ZINC000663826040 482400330 /nfs/dbraw/zinc/40/03/30/482400330.db2.gz NRBBZGUOGNCODK-KBXCAEBGSA-N 1 3 338.459 2.816 20 0 EFADHO COc1cc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000131696629 533892286 /nfs/dbraw/zinc/89/22/86/533892286.db2.gz CLYYSQMFUVWZND-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000572749609 518183238 /nfs/dbraw/zinc/18/32/38/518183238.db2.gz YOLOSVKIDUTYJK-UWVGGRQHSA-N 1 3 336.789 2.753 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000186747338 534392972 /nfs/dbraw/zinc/39/29/72/534392972.db2.gz PUELQUVDWCUGLE-LSDHHAIUSA-N 1 3 343.393 2.782 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000186747338 534392978 /nfs/dbraw/zinc/39/29/78/534392978.db2.gz PUELQUVDWCUGLE-LSDHHAIUSA-N 1 3 343.393 2.782 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000192757820 519680986 /nfs/dbraw/zinc/68/09/86/519680986.db2.gz HQOHZVVXJUSJOM-MOPGFXCFSA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000192757820 519680987 /nfs/dbraw/zinc/68/09/87/519680987.db2.gz HQOHZVVXJUSJOM-MOPGFXCFSA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000192728529 519681487 /nfs/dbraw/zinc/68/14/87/519681487.db2.gz RVXRBTNJGBDJRA-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO CC(C)CO[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1(C)C ZINC000245854776 519760709 /nfs/dbraw/zinc/76/07/09/519760709.db2.gz GWGUEFKICPRNMK-NZSAHSFTSA-N 1 3 338.536 2.917 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000151136879 519864045 /nfs/dbraw/zinc/86/40/45/519864045.db2.gz JIRFRFUTVHXGHS-NLWGTHIKSA-N 1 3 330.520 2.614 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000066987450 520231206 /nfs/dbraw/zinc/23/12/06/520231206.db2.gz LEHWWFANJDYPON-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000066987450 520231216 /nfs/dbraw/zinc/23/12/16/520231216.db2.gz LEHWWFANJDYPON-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000066987414 520231454 /nfs/dbraw/zinc/23/14/54/520231454.db2.gz FAGIFZSUKVIRTA-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245455706 520254656 /nfs/dbraw/zinc/25/46/56/520254656.db2.gz SSKCWJNQIVEYIP-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245455706 520254664 /nfs/dbraw/zinc/25/46/64/520254664.db2.gz SSKCWJNQIVEYIP-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000236661960 521035970 /nfs/dbraw/zinc/03/59/70/521035970.db2.gz CREXELGUVIVFLO-TZIWHRDSSA-N 1 3 343.515 2.966 20 0 EFADHO CCCC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000236790507 521205702 /nfs/dbraw/zinc/20/57/02/521205702.db2.gz IYVVCYWWNJOLET-WMZOPIPTSA-N 1 3 347.503 2.520 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C1CC1 ZINC000153403494 521297626 /nfs/dbraw/zinc/29/76/26/521297626.db2.gz XGRKFHCTELRWMO-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C1CC1 ZINC000153403494 521297638 /nfs/dbraw/zinc/29/76/38/521297638.db2.gz XGRKFHCTELRWMO-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000063755947 521476749 /nfs/dbraw/zinc/47/67/49/521476749.db2.gz RSQCAIHTSLCKTH-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO [NH3+]CC1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCCC1 ZINC000165895297 534586842 /nfs/dbraw/zinc/58/68/42/534586842.db2.gz XFTWRHHPGAFSIA-GOSISDBHSA-N 1 3 329.488 2.676 20 0 EFADHO CCS[C@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076067815 521732662 /nfs/dbraw/zinc/73/26/62/521732662.db2.gz UDEUOMCQBNEWID-SJORKVTESA-N 1 3 341.565 2.581 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245931234 521804597 /nfs/dbraw/zinc/80/45/97/521804597.db2.gz SKCZSHYYJMPYGV-BHIYHBOVSA-N 1 3 332.488 2.920 20 0 EFADHO Clc1cc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000166345330 534630113 /nfs/dbraw/zinc/63/01/13/534630113.db2.gz IEWSUCSCDPPWTH-HUUCEWRRSA-N 1 3 336.863 2.870 20 0 EFADHO Clc1cc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000166345330 534630118 /nfs/dbraw/zinc/63/01/18/534630118.db2.gz IEWSUCSCDPPWTH-HUUCEWRRSA-N 1 3 336.863 2.870 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000246122666 522679779 /nfs/dbraw/zinc/67/97/79/522679779.db2.gz HNJCYFSMBMLVAZ-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000246122666 522679786 /nfs/dbraw/zinc/67/97/86/522679786.db2.gz HNJCYFSMBMLVAZ-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO COC1CCN(C2(CNC(=[NH2+])N3CCC(C)CC3)CCCC2)CC1 ZINC000263187159 522702243 /nfs/dbraw/zinc/70/22/43/522702243.db2.gz XAFTWLVECLBDML-UHFFFAOYSA-N 1 3 336.524 2.666 20 0 EFADHO COC[C@H]([NH2+]CC1CCN(Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000120692226 522732661 /nfs/dbraw/zinc/73/26/61/522732661.db2.gz KWFISIDMTZOHJX-FQEVSTJZSA-N 1 3 332.488 2.922 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CC34CCCCC4)CC2)CC1 ZINC000180344770 523767996 /nfs/dbraw/zinc/76/79/96/523767996.db2.gz WPAXGPCEGMCAAX-GOSISDBHSA-N 1 3 348.535 2.567 20 0 EFADHO CN1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000178816353 523812852 /nfs/dbraw/zinc/81/28/52/523812852.db2.gz RVRRVARFORBUEA-MAUKXSAKSA-N 1 3 335.517 2.637 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000237124268 523839940 /nfs/dbraw/zinc/83/99/40/523839940.db2.gz ROYPCZBEBCMXOF-KCYZZUKISA-N 1 3 335.517 2.765 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000120667120 524024352 /nfs/dbraw/zinc/02/43/52/524024352.db2.gz KEYJWTOGVLREKN-APWZRJJASA-N 1 3 332.488 2.922 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182709069 525094951 /nfs/dbraw/zinc/09/49/51/525094951.db2.gz ZSWJDFORNMQZOL-YYIAUSFCSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182709069 525094965 /nfs/dbraw/zinc/09/49/65/525094965.db2.gz ZSWJDFORNMQZOL-YYIAUSFCSA-N 1 3 348.535 2.564 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H]2C)CC1 ZINC000177873690 525136561 /nfs/dbraw/zinc/13/65/61/525136561.db2.gz NVCWDZPMMBOUDT-AEFFLSMTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153933305 525284668 /nfs/dbraw/zinc/28/46/68/525284668.db2.gz JXYGFRQOFNPCIV-HBFSDRIKSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(C)CC1 ZINC000090028409 525435606 /nfs/dbraw/zinc/43/56/06/525435606.db2.gz UPZFOSLDYSMXQG-INIZCTEOSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H](NCCOCC[NH+](C)C)c1cc(Br)ccc1F ZINC000219314636 525452311 /nfs/dbraw/zinc/45/23/11/525452311.db2.gz NNLAOXPIPOCCOA-LLVKDONJSA-N 1 3 333.245 2.817 20 0 EFADHO Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)cc1 ZINC000192703868 525959217 /nfs/dbraw/zinc/95/92/17/525959217.db2.gz JLXIGMDMBUGWCU-VTHDOGFWSA-N 1 3 343.515 2.583 20 0 EFADHO COc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000067452954 526015009 /nfs/dbraw/zinc/01/50/09/526015009.db2.gz VCBAEMYSYCJQKD-IYBDPMFKSA-N 1 3 336.476 2.683 20 0 EFADHO C[C@H](C(=O)NCCc1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123404948 526055538 /nfs/dbraw/zinc/05/55/38/526055538.db2.gz ZHFZIZYZFIZMQH-GOSISDBHSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000245202370 526082156 /nfs/dbraw/zinc/08/21/56/526082156.db2.gz RUYFRUIIEPKQHG-BRWVUGGUSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000262934899 526094556 /nfs/dbraw/zinc/09/45/56/526094556.db2.gz IFCXWNLCUWLVEZ-LPHOPBHVSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](c1ccccc1Cl)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519151 526111913 /nfs/dbraw/zinc/11/19/13/526111913.db2.gz TZSVVZNSMAESIZ-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1)N(C)C ZINC000349933696 534911821 /nfs/dbraw/zinc/91/18/21/534911821.db2.gz IQYOSCIWXXPKJS-VQIMIIECSA-N 1 3 347.503 2.932 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)N(C)C ZINC000349933696 534911830 /nfs/dbraw/zinc/91/18/30/534911830.db2.gz IQYOSCIWXXPKJS-VQIMIIECSA-N 1 3 347.503 2.932 20 0 EFADHO Cc1cc(C(=O)NC2CC[NH+](CC[C@@H]3CCCN3C)CC2)c(C)o1 ZINC000120536972 526264387 /nfs/dbraw/zinc/26/43/87/526264387.db2.gz QWURMJBYPNUIMY-KRWDZBQOSA-N 1 3 333.476 2.575 20 0 EFADHO OCC[NH+]1CCC(CNCc2ccc(Oc3ccccc3)o2)CC1 ZINC000180897896 527552272 /nfs/dbraw/zinc/55/22/72/527552272.db2.gz XISALTICGYPYKQ-UHFFFAOYSA-N 1 3 330.428 2.866 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000165983178 527718917 /nfs/dbraw/zinc/71/89/17/527718917.db2.gz GCQFPTLIMXCGEA-RDJZCZTQSA-N 1 3 336.476 2.855 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000174519257 528269295 /nfs/dbraw/zinc/26/92/95/528269295.db2.gz UJAMLUFYUVWEBM-LJQANCHMSA-N 1 3 347.503 2.536 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129325666 528272492 /nfs/dbraw/zinc/27/24/92/528272492.db2.gz SYYIFOAAOHYNMM-PKOBYXMFSA-N 1 3 346.519 2.663 20 0 EFADHO CC(C)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000168787809 528550218 /nfs/dbraw/zinc/55/02/18/528550218.db2.gz NQTYAAGMRBSXNA-IPQPSQTFSA-N 1 3 329.488 2.672 20 0 EFADHO CC(C)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000168787809 528550222 /nfs/dbraw/zinc/55/02/22/528550222.db2.gz NQTYAAGMRBSXNA-IPQPSQTFSA-N 1 3 329.488 2.672 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000165996893 528834890 /nfs/dbraw/zinc/83/48/90/528834890.db2.gz KEDRILPSMLQRNH-FQEVSTJZSA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000165996893 528834896 /nfs/dbraw/zinc/83/48/96/528834896.db2.gz KEDRILPSMLQRNH-FQEVSTJZSA-N 1 3 339.483 2.713 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000154499951 529143424 /nfs/dbraw/zinc/14/34/24/529143424.db2.gz CMLLBJYLGRKQEW-KRWDZBQOSA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154234737 529145002 /nfs/dbraw/zinc/14/50/02/529145002.db2.gz LIQINYBQEOXLKV-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154244393 529145178 /nfs/dbraw/zinc/14/51/78/529145178.db2.gz PIPJUJZCUHJHHR-SFHVURJKSA-N 1 3 335.467 2.657 20 0 EFADHO CC(C)O[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344124529 534928897 /nfs/dbraw/zinc/92/88/97/534928897.db2.gz XDHVNAWPCDLCCP-MSOLQXFVSA-N 1 3 335.492 2.704 20 0 EFADHO CCC[NH+]1CCN(c2ccccc2CN2CCCO[C@@H](CF)C2)CC1 ZINC000414482847 534934408 /nfs/dbraw/zinc/93/44/08/534934408.db2.gz XYPLMOAFEYOUBN-IBGZPJMESA-N 1 3 349.494 2.779 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000435391383 534935945 /nfs/dbraw/zinc/93/59/45/534935945.db2.gz SFUWTJYZGPHNPU-LJQANCHMSA-N 1 3 344.547 2.650 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000361269028 534945755 /nfs/dbraw/zinc/94/57/55/534945755.db2.gz YPBDZOXUBCDGOH-LNLFQRSKSA-N 1 3 326.525 2.605 20 0 EFADHO CC1(C)Cc2cccc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2O1 ZINC000414766489 534953218 /nfs/dbraw/zinc/95/32/18/534953218.db2.gz DQUDXSRALMQGFQ-MJGOQNOKSA-N 1 3 330.472 2.728 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356672682 534957081 /nfs/dbraw/zinc/95/70/81/534957081.db2.gz HQGHFLXTSSEPFH-VQIMIIECSA-N 1 3 331.504 2.748 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000360289307 535019681 /nfs/dbraw/zinc/01/96/81/535019681.db2.gz AXFYYDFWKBNBJA-RTBURBONSA-N 1 3 349.519 2.779 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418467119 535032036 /nfs/dbraw/zinc/03/20/36/535032036.db2.gz OOHCRPGOCZEPMQ-HZPDHXFCSA-N 1 3 340.899 2.759 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000427272970 535043222 /nfs/dbraw/zinc/04/32/22/535043222.db2.gz GOUFPOGQXSCTQG-VQIMIIECSA-N 1 3 343.515 2.575 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCCC1 ZINC000422139734 535104824 /nfs/dbraw/zinc/10/48/24/535104824.db2.gz BWVZQNKNIQZFOB-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN1C)[NH+]1CCCC1 ZINC000422139730 535105187 /nfs/dbraw/zinc/10/51/87/535105187.db2.gz BWVZQNKNIQZFOB-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414711177 535124380 /nfs/dbraw/zinc/12/43/80/535124380.db2.gz MGOYOGQVIMQUSM-MRXNPFEDSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414711177 535124383 /nfs/dbraw/zinc/12/43/83/535124383.db2.gz MGOYOGQVIMQUSM-MRXNPFEDSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341363236 535176242 /nfs/dbraw/zinc/17/62/42/535176242.db2.gz OSKNUTVEQIEKGX-GOSISDBHSA-N 1 3 330.520 2.756 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418444826 535191316 /nfs/dbraw/zinc/19/13/16/535191316.db2.gz XGQTUMONYVMYNN-KRWDZBQOSA-N 1 3 328.460 2.656 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000346276205 535205731 /nfs/dbraw/zinc/20/57/31/535205731.db2.gz GZQWUTHBDMTJCU-DLBZAZTESA-N 1 3 344.503 2.673 20 0 EFADHO CCCN(C(=O)N[C@H](C)CC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418527964 535225252 /nfs/dbraw/zinc/22/52/52/535225252.db2.gz OPJODJBLAOSUMK-MJGOQNOKSA-N 1 3 346.519 2.810 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(CC)CC ZINC000344091273 535407381 /nfs/dbraw/zinc/40/73/81/535407381.db2.gz DEBJPTZMYIAAII-RCCFBDPRSA-N 1 3 326.525 2.653 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262881511 535487927 /nfs/dbraw/zinc/48/79/27/535487927.db2.gz FOEVJKORBOUPIG-INIZCTEOSA-N 1 3 335.517 2.561 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000427462540 535499916 /nfs/dbraw/zinc/49/99/16/535499916.db2.gz NAKUTPIUTBTUPS-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[NH+](CC)CCOc1cc(NC(=O)C2(N)CCCC2)ccc1OC ZINC000236877099 535550763 /nfs/dbraw/zinc/55/07/63/535550763.db2.gz MWXQWRHPLWZRRJ-UHFFFAOYSA-N 1 3 349.475 2.626 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000349881117 535575143 /nfs/dbraw/zinc/57/51/43/535575143.db2.gz RMPSLMKVZNHXMW-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNCc1cc(C(=O)OC)n(C)c1 ZINC000347926780 535610619 /nfs/dbraw/zinc/61/06/19/535610619.db2.gz SXPFZJPFLMJTDN-UHFFFAOYSA-N 1 3 343.471 2.943 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)c1ccccc1 ZINC000236875274 535671182 /nfs/dbraw/zinc/67/11/82/535671182.db2.gz UXSRWCXFWARXRN-LJQANCHMSA-N 1 3 331.504 2.966 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C)CC(C)C ZINC000341304596 535672958 /nfs/dbraw/zinc/67/29/58/535672958.db2.gz VFKLETQOGIOPPX-RYQLBKOJSA-N 1 3 338.540 2.525 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000360045596 535693889 /nfs/dbraw/zinc/69/38/89/535693889.db2.gz LPMNGAOPIBZFTH-KRWDZBQOSA-N 1 3 331.504 2.785 20 0 EFADHO CCN(CCC(=O)NCc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435629005 535703320 /nfs/dbraw/zinc/70/33/20/535703320.db2.gz SDBUUQOCFFMHOM-MRXNPFEDSA-N 1 3 337.895 2.810 20 0 EFADHO CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCCNCC1 ZINC000435629005 535703327 /nfs/dbraw/zinc/70/33/27/535703327.db2.gz SDBUUQOCFFMHOM-MRXNPFEDSA-N 1 3 337.895 2.810 20 0 EFADHO CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@@H]1CCCNCC1 ZINC000435629005 535703333 /nfs/dbraw/zinc/70/33/33/535703333.db2.gz SDBUUQOCFFMHOM-MRXNPFEDSA-N 1 3 337.895 2.810 20 0 EFADHO CCN(CCC(=O)NCc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435629004 535704873 /nfs/dbraw/zinc/70/48/73/535704873.db2.gz SDBUUQOCFFMHOM-INIZCTEOSA-N 1 3 337.895 2.810 20 0 EFADHO CC[N@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCCNCC1 ZINC000435629004 535704877 /nfs/dbraw/zinc/70/48/77/535704877.db2.gz SDBUUQOCFFMHOM-INIZCTEOSA-N 1 3 337.895 2.810 20 0 EFADHO CC[N@@H+](CCC(=O)NCc1ccccc1Cl)[C@H]1CCCNCC1 ZINC000435629004 535704886 /nfs/dbraw/zinc/70/48/86/535704886.db2.gz SDBUUQOCFFMHOM-INIZCTEOSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000346421127 535721340 /nfs/dbraw/zinc/72/13/40/535721340.db2.gz SJOWFQKQCYDXJZ-PXNSSMCTSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000346421127 535721343 /nfs/dbraw/zinc/72/13/43/535721343.db2.gz SJOWFQKQCYDXJZ-PXNSSMCTSA-N 1 3 330.520 2.576 20 0 EFADHO CCN(CCOC)c1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)n1 ZINC000351713818 535751783 /nfs/dbraw/zinc/75/17/83/535751783.db2.gz XDLGKWXTWDWSIW-HKUYNNGSSA-N 1 3 348.535 2.716 20 0 EFADHO CCN(CCOC)c1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)n1 ZINC000351713818 535751792 /nfs/dbraw/zinc/75/17/92/535751792.db2.gz XDLGKWXTWDWSIW-HKUYNNGSSA-N 1 3 348.535 2.716 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](OC)C2(C)C)CC1 ZINC000344693493 535753535 /nfs/dbraw/zinc/75/35/35/535753535.db2.gz KPEGSWYDFRSEIK-MOPGFXCFSA-N 1 3 331.504 2.732 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1)C1CC1 ZINC000359779058 535780991 /nfs/dbraw/zinc/78/09/91/535780991.db2.gz TWUILBARZNQEQI-KXBFYZLASA-N 1 3 329.488 2.693 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2(C)CCC2)CC1 ZINC000432782556 535916281 /nfs/dbraw/zinc/91/62/81/535916281.db2.gz XRIONAGMAIVCNM-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1C[C@@H]1C ZINC000414342449 535916599 /nfs/dbraw/zinc/91/65/99/535916599.db2.gz PPFBXWBKBGALMG-YSSFQJQWSA-N 1 3 343.515 2.908 20 0 EFADHO CC[C@H](O)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000344484877 535965555 /nfs/dbraw/zinc/96/55/55/535965555.db2.gz XLRALMMKWAUCRH-IBGZPJMESA-N 1 3 333.520 2.858 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000418657197 535976300 /nfs/dbraw/zinc/97/63/00/535976300.db2.gz UFMGNYJGPHDGMZ-HKUYNNGSSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000418657197 535976305 /nfs/dbraw/zinc/97/63/05/535976305.db2.gz UFMGNYJGPHDGMZ-HKUYNNGSSA-N 1 3 346.519 2.765 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000342913081 536009336 /nfs/dbraw/zinc/00/93/36/536009336.db2.gz GXRGSOUGVWKFMU-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000342913081 536009341 /nfs/dbraw/zinc/00/93/41/536009341.db2.gz GXRGSOUGVWKFMU-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000433317419 536041466 /nfs/dbraw/zinc/04/14/66/536041466.db2.gz KYWCOMUZCZFWQH-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000360297408 536093397 /nfs/dbraw/zinc/09/33/97/536093397.db2.gz WTFPFPQEJYFADF-BHIYHBOVSA-N 1 3 331.504 2.744 20 0 EFADHO CCc1cc(OC)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349277550 536155676 /nfs/dbraw/zinc/15/56/76/536155676.db2.gz LQHKDLJHPFMDAN-KRWDZBQOSA-N 1 3 345.531 2.858 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000359570476 536174809 /nfs/dbraw/zinc/17/48/09/536174809.db2.gz ZPJGOJWDFQICQU-WMLDXEAASA-N 1 3 333.476 2.699 20 0 EFADHO CN(CCC1CC[NH2+]CC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000359207487 536323711 /nfs/dbraw/zinc/32/37/11/536323711.db2.gz BGNHYJYIQUYJQY-LJQANCHMSA-N 1 3 330.451 2.970 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262638798 536345347 /nfs/dbraw/zinc/34/53/47/536345347.db2.gz JJFUEXVQIMHAGA-HUUCEWRRSA-N 1 3 330.476 2.649 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(OC)c2)CC1 ZINC000347559481 536778765 /nfs/dbraw/zinc/77/87/65/536778765.db2.gz CYORGMAEWGCCTJ-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(OC)c2)CC1 ZINC000347559481 536778769 /nfs/dbraw/zinc/77/87/69/536778769.db2.gz CYORGMAEWGCCTJ-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H](C)C[C@H](C)[NH3+])c2)n1 ZINC000423078462 536851578 /nfs/dbraw/zinc/85/15/78/536851578.db2.gz OMWRERQRUUCQKT-NWDGAFQWSA-N 1 3 333.457 2.812 20 0 EFADHO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422793197 536862996 /nfs/dbraw/zinc/86/29/96/536862996.db2.gz RZUFZWQMKWETBG-ZIAGYGMSSA-N 1 3 329.444 2.975 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000261640912 545619366 /nfs/dbraw/zinc/61/93/66/545619366.db2.gz ASHZMROGHXQITH-SUMDDJOVSA-N 1 3 347.478 2.624 20 0 EFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000261545877 545619713 /nfs/dbraw/zinc/61/97/13/545619713.db2.gz LXTMMYMAKOCRRU-HXUWFJFHSA-N 1 3 335.451 2.684 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000280222675 545653273 /nfs/dbraw/zinc/65/32/73/545653273.db2.gz UVFFJKMZUPTOAC-CRAIPNDOSA-N 1 3 348.487 2.782 20 0 EFADHO COc1cc2c(cc1OC)[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000280222675 545653276 /nfs/dbraw/zinc/65/32/76/545653276.db2.gz UVFFJKMZUPTOAC-CRAIPNDOSA-N 1 3 348.487 2.782 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1-c1ccccc1 ZINC000282159811 545666972 /nfs/dbraw/zinc/66/69/72/545666972.db2.gz DIFFLEIIFJPWCS-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO Cc1cccc(N2CC[NH+](CCCCN[C@@H](C)c3ncc[nH]3)CC2)c1 ZINC000285663599 545681593 /nfs/dbraw/zinc/68/15/93/545681593.db2.gz MZSUTYMBNMKWAJ-SFHVURJKSA-N 1 3 341.503 2.971 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cscc1Br ZINC000286354246 545686369 /nfs/dbraw/zinc/68/63/69/545686369.db2.gz FQPSOQVKNIRUOH-ZDUSSCGKSA-N 1 3 347.322 2.837 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cscc1Br ZINC000286354246 545686378 /nfs/dbraw/zinc/68/63/78/545686378.db2.gz FQPSOQVKNIRUOH-ZDUSSCGKSA-N 1 3 347.322 2.837 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339240752 545925326 /nfs/dbraw/zinc/92/53/26/545925326.db2.gz QUWOJMUYAUUHOA-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339240752 545925330 /nfs/dbraw/zinc/92/53/30/545925330.db2.gz QUWOJMUYAUUHOA-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000339259186 545927569 /nfs/dbraw/zinc/92/75/69/545927569.db2.gz WZXGSNCVRJIAJC-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@H]2C)N(C)C)cc1 ZINC000339259186 545927571 /nfs/dbraw/zinc/92/75/71/545927571.db2.gz WZXGSNCVRJIAJC-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000343438729 545958295 /nfs/dbraw/zinc/95/82/95/545958295.db2.gz DWFSIMWMDGTMKG-QZTJIDSGSA-N 1 3 341.503 2.549 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360338375 546129027 /nfs/dbraw/zinc/12/90/27/546129027.db2.gz XWSCUQUJAGUBNQ-ZIFCJYIRSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389909712 546160413 /nfs/dbraw/zinc/16/04/13/546160413.db2.gz INUAZOPKWLBSMH-NZSAHSFTSA-N 1 3 331.504 2.634 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000391741617 546165469 /nfs/dbraw/zinc/16/54/69/546165469.db2.gz RSOFDUXSHJUOJL-CVEARBPZSA-N 1 3 328.464 2.577 20 0 EFADHO COc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC000414127015 546186908 /nfs/dbraw/zinc/18/69/08/546186908.db2.gz RWCSALCIYIQBQQ-MRXNPFEDSA-N 1 3 347.503 2.597 20 0 EFADHO C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000414291824 546188671 /nfs/dbraw/zinc/18/86/71/546188671.db2.gz ATTITBCOSYMEFV-XKQJLSEDSA-N 1 3 342.430 2.826 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414934889 546193989 /nfs/dbraw/zinc/19/39/89/546193989.db2.gz YHGBCFHWEHFVAT-XOKHGSTOSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414934889 546193996 /nfs/dbraw/zinc/19/39/96/546193996.db2.gz YHGBCFHWEHFVAT-XOKHGSTOSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414925071 546194375 /nfs/dbraw/zinc/19/43/75/546194375.db2.gz KZGVZMBIOIITKW-BMFZPTHFSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000414925071 546194380 /nfs/dbraw/zinc/19/43/80/546194380.db2.gz KZGVZMBIOIITKW-BMFZPTHFSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000655446525 546450150 /nfs/dbraw/zinc/45/01/50/546450150.db2.gz DPIGDCDQUHQWQE-VELGLUOQSA-N 1 3 341.499 2.545 20 0 EFADHO C[NH+](C)CC(C)(C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000655550473 546482041 /nfs/dbraw/zinc/48/20/41/546482041.db2.gz NCCGVUSKILXTIW-GOSISDBHSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1ccco1 ZINC000655703982 546541459 /nfs/dbraw/zinc/54/14/59/546541459.db2.gz XPVNPZLWMKTRPR-ROUUACIJSA-N 1 3 335.492 2.505 20 0 EFADHO Cc1ccc([C@@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)N2CCCC2)o1 ZINC000655704662 546541692 /nfs/dbraw/zinc/54/16/92/546541692.db2.gz HOMWXMWNHFQXGJ-RTBURBONSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655703726 546542030 /nfs/dbraw/zinc/54/20/30/546542030.db2.gz UIJBXVZDIQHEOH-SFTDATJTSA-N 1 3 345.531 2.831 20 0 EFADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655706248 546542640 /nfs/dbraw/zinc/54/26/40/546542640.db2.gz KEESZKFJWRXHLS-DMUMMCEESA-N 1 3 337.552 2.586 20 0 EFADHO C([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN1CC1CCCCC1 ZINC000655710655 546544824 /nfs/dbraw/zinc/54/48/24/546544824.db2.gz CTQCRFZKSUCUDF-RTWAWAEBSA-N 1 3 349.563 2.874 20 0 EFADHO c1cc2cc(C[NH2+]CCCN3CCN(c4ccncc4)CC3)ccc2[nH]1 ZINC000655723662 546550853 /nfs/dbraw/zinc/55/08/53/546550853.db2.gz NOPBOSYWTCAOQQ-UHFFFAOYSA-N 1 3 349.482 2.865 20 0 EFADHO c1ccc2c(c1)CCO[C@@H]2CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655731041 546556136 /nfs/dbraw/zinc/55/61/36/546556136.db2.gz UQQZQVJUIUNPNO-UYAOXDASSA-N 1 3 330.472 2.533 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655746171 546562369 /nfs/dbraw/zinc/56/23/69/546562369.db2.gz OPWZATWQZVFXBA-FQEVSTJZSA-N 1 3 344.503 2.936 20 0 EFADHO CN(C)C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655768439 546573595 /nfs/dbraw/zinc/57/35/95/546573595.db2.gz DAUKFSROGZJUKQ-WOJBJXKFSA-N 1 3 349.494 2.661 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCc3noc4ccccc43)CC2)C1 ZINC000655940350 546650403 /nfs/dbraw/zinc/65/04/03/546650403.db2.gz RYLJRFMIAICJGI-DNVCBOLYSA-N 1 3 329.444 2.589 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655963735 546653133 /nfs/dbraw/zinc/65/31/33/546653133.db2.gz RMELUWSHMVDSNL-BMGDILEWSA-N 1 3 330.476 2.522 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@H](N)C3)CC2)cs1 ZINC000656197414 546718667 /nfs/dbraw/zinc/71/86/67/546718667.db2.gz HTPKWYMQQDXJFM-JKSUJKDBSA-N 1 3 336.549 2.777 20 0 EFADHO C[C@@H](O)CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000656279261 546762693 /nfs/dbraw/zinc/76/26/93/546762693.db2.gz NCRIOOKYBPZQKU-MRXNPFEDSA-N 1 3 331.504 2.562 20 0 EFADHO COc1cccc2c1OC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656496670 546819242 /nfs/dbraw/zinc/81/92/42/546819242.db2.gz VCTZRKRVZXKBSA-QGZVFWFLSA-N 1 3 339.439 2.652 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]C3CC(C)(c4ccccc4)C3)C2)CC1 ZINC000656499174 546820621 /nfs/dbraw/zinc/82/06/21/546820621.db2.gz YXKUIVBLJOLGPY-JSOIOWGOSA-N 1 3 327.516 2.865 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656500029 546820691 /nfs/dbraw/zinc/82/06/91/546820691.db2.gz TXQVQWIPKWAHJG-OXJNMPFZSA-N 1 3 325.456 2.805 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCC1 ZINC000656789156 546925128 /nfs/dbraw/zinc/92/51/28/546925128.db2.gz KRPULDJMYQFZQU-CQSZACIVSA-N 1 3 337.895 2.938 20 0 EFADHO c1csc(C[N@H+]2CCC[C@H](CNCc3cnc4n3CCC4)C2)c1 ZINC000657338051 547118364 /nfs/dbraw/zinc/11/83/64/547118364.db2.gz HLLLAXJZMKJOFO-OAHLLOKOSA-N 1 3 330.501 2.893 20 0 EFADHO c1csc(C[N@@H+]2CCC[C@H](CNCc3cnc4n3CCC4)C2)c1 ZINC000657338051 547118370 /nfs/dbraw/zinc/11/83/70/547118370.db2.gz HLLLAXJZMKJOFO-OAHLLOKOSA-N 1 3 330.501 2.893 20 0 EFADHO c1csc(CN2CCC[C@H](C[NH2+]Cc3cnc4n3CCC4)C2)c1 ZINC000657338051 547118377 /nfs/dbraw/zinc/11/83/77/547118377.db2.gz HLLLAXJZMKJOFO-OAHLLOKOSA-N 1 3 330.501 2.893 20 0 EFADHO Cc1cccc2[nH]c(C[NH2+][C@H]3CCN(C4CCN(C)CC4)C3)cc21 ZINC000657358387 547129437 /nfs/dbraw/zinc/12/94/37/547129437.db2.gz CPAMFKCVUKKGQT-INIZCTEOSA-N 1 3 326.488 2.734 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cc(F)ccc2OC(F)F)CC1 ZINC000657386118 547140590 /nfs/dbraw/zinc/14/05/90/547140590.db2.gz BPOJZBUGKTUCOB-UHFFFAOYSA-N 1 3 345.409 2.543 20 0 EFADHO COCc1csc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000657430578 547159192 /nfs/dbraw/zinc/15/91/92/547159192.db2.gz RIWRRPPJIBQHJJ-SFHVURJKSA-N 1 3 346.496 2.751 20 0 EFADHO COCc1csc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000657430578 547159195 /nfs/dbraw/zinc/15/91/95/547159195.db2.gz RIWRRPPJIBQHJJ-SFHVURJKSA-N 1 3 346.496 2.751 20 0 EFADHO CCOc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000657613864 547229899 /nfs/dbraw/zinc/22/98/99/547229899.db2.gz UYDLWOLYQPJSCT-UHFFFAOYSA-N 1 3 340.471 2.877 20 0 EFADHO COc1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(OC)c1OC ZINC000657811830 547292409 /nfs/dbraw/zinc/29/24/09/547292409.db2.gz IFDOZLXGANXFEO-UHFFFAOYSA-N 1 3 348.487 2.924 20 0 EFADHO Cn1nc(C(F)(F)F)cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657816588 547293225 /nfs/dbraw/zinc/29/32/25/547293225.db2.gz XUKFVIDIWOHIJG-UHFFFAOYSA-N 1 3 330.398 2.651 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C3(OC)CCC3)cc2)CC1 ZINC000657839407 547298849 /nfs/dbraw/zinc/29/88/49/547298849.db2.gz UOULUIWDAQFCRY-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657840693 547299726 /nfs/dbraw/zinc/29/97/26/547299726.db2.gz VDZCJHZNCAHCNL-FGTMMUONSA-N 1 3 341.503 2.934 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657840693 547299734 /nfs/dbraw/zinc/29/97/34/547299734.db2.gz VDZCJHZNCAHCNL-FGTMMUONSA-N 1 3 341.503 2.934 20 0 EFADHO CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000657985826 547329643 /nfs/dbraw/zinc/32/96/43/547329643.db2.gz ANEZKXVUJDEDLO-MRXNPFEDSA-N 1 3 343.309 2.938 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(F)F)nc1 ZINC000658002916 547333466 /nfs/dbraw/zinc/33/34/66/547333466.db2.gz PTCNJFDPODDVPF-ZDUSSCGKSA-N 1 3 326.435 2.696 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC000658094586 547354552 /nfs/dbraw/zinc/35/45/52/547354552.db2.gz YTOHRLFOGVXILF-KURKYZTESA-N 1 3 325.541 2.586 20 0 EFADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]2CCO[C@H]21 ZINC000658167479 547378341 /nfs/dbraw/zinc/37/83/41/547378341.db2.gz SIPLWHMOGOLTTH-GUDVDZBRSA-N 1 3 329.488 2.697 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2nccn21 ZINC000658166469 547378388 /nfs/dbraw/zinc/37/83/88/547378388.db2.gz VFBZJVNCDNTLQA-QAPCUYQASA-N 1 3 325.460 2.786 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168797 547378696 /nfs/dbraw/zinc/37/86/96/547378696.db2.gz YXCNVIDWPFVYIW-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166819 547378902 /nfs/dbraw/zinc/37/89/02/547378902.db2.gz PJIXOFCWOPVFED-HXUWFJFHSA-N 1 3 341.503 2.805 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2nccn21 ZINC000658166467 547378953 /nfs/dbraw/zinc/37/89/53/547378953.db2.gz VFBZJVNCDNTLQA-CRAIPNDOSA-N 1 3 325.460 2.786 20 0 EFADHO CCn1cc(CNC2CCC([N@H+](C)Cc3ccccc3)CC2)nn1 ZINC000658175309 547381382 /nfs/dbraw/zinc/38/13/82/547381382.db2.gz ACXPUPVRTCIYNX-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO CCn1cc(CNC2CCC([N@@H+](C)Cc3ccccc3)CC2)nn1 ZINC000658175309 547381387 /nfs/dbraw/zinc/38/13/87/547381387.db2.gz ACXPUPVRTCIYNX-UHFFFAOYSA-N 1 3 327.476 2.831 20 0 EFADHO C(=C\C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671245264 547547557 /nfs/dbraw/zinc/54/75/57/547547557.db2.gz QLQGZSVQGHXGRX-BYFLOPAXSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C\C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)\CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000671245264 547547558 /nfs/dbraw/zinc/54/75/58/547547558.db2.gz QLQGZSVQGHXGRX-BYFLOPAXSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C\C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000671245264 547547561 /nfs/dbraw/zinc/54/75/61/547547561.db2.gz QLQGZSVQGHXGRX-BYFLOPAXSA-N 1 3 334.504 2.829 20 0 EFADHO C(=C\C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)\CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000671245264 547547564 /nfs/dbraw/zinc/54/75/64/547547564.db2.gz QLQGZSVQGHXGRX-BYFLOPAXSA-N 1 3 334.504 2.829 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753627 547667536 /nfs/dbraw/zinc/66/75/36/547667536.db2.gz KHYKIFQTTCBCDX-AFAVFJNCSA-N 1 3 345.443 2.562 20 0 EFADHO COc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000673627097 547922450 /nfs/dbraw/zinc/92/24/50/547922450.db2.gz IFBGJDHAUYPZGN-YJBOKZPZSA-N 1 3 348.487 2.998 20 0 EFADHO COC[C@@H]1CCCN1Cc1ccccc1C[N@@H+]1CCC[C@H]1COC ZINC000674500345 548100196 /nfs/dbraw/zinc/10/01/96/548100196.db2.gz VVJOYZQNVDQNJW-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@@H]1CCCN1Cc1ccccc1C[N@H+]1CCC[C@H]1COC ZINC000674500345 548100197 /nfs/dbraw/zinc/10/01/97/548100197.db2.gz VVJOYZQNVDQNJW-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675176717 548219689 /nfs/dbraw/zinc/21/96/89/548219689.db2.gz IHZQVUOPMWAUJJ-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675176717 548219692 /nfs/dbraw/zinc/21/96/92/548219692.db2.gz IHZQVUOPMWAUJJ-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000675177886 548219785 /nfs/dbraw/zinc/21/97/85/548219785.db2.gz RCQGFCPNDHPGEN-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000675177886 548219787 /nfs/dbraw/zinc/21/97/87/548219787.db2.gz RCQGFCPNDHPGEN-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000675177877 548219835 /nfs/dbraw/zinc/21/98/35/548219835.db2.gz RCQGFCPNDHPGEN-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000675177877 548219837 /nfs/dbraw/zinc/21/98/37/548219837.db2.gz RCQGFCPNDHPGEN-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000675177889 548220076 /nfs/dbraw/zinc/22/00/76/548220076.db2.gz RCQGFCPNDHPGEN-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000675177889 548220079 /nfs/dbraw/zinc/22/00/79/548220079.db2.gz RCQGFCPNDHPGEN-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000675177747 548220152 /nfs/dbraw/zinc/22/01/52/548220152.db2.gz QRPSBMFCRRQUNB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000675177747 548220155 /nfs/dbraw/zinc/22/01/55/548220155.db2.gz QRPSBMFCRRQUNB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000675734020 548341373 /nfs/dbraw/zinc/34/13/73/548341373.db2.gz VDLPDCQTRHKHAV-NQIIRXRSSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)(C)N1CCC([NH2+]Cc2ccc(Cn3cncn3)cc2)CC1 ZINC000675737687 548342495 /nfs/dbraw/zinc/34/24/95/548342495.db2.gz GYVOVSSTQRHUAL-UHFFFAOYSA-N 1 3 327.476 2.679 20 0 EFADHO C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC[NH+](C)CC1 ZINC000675734768 548342922 /nfs/dbraw/zinc/34/29/22/548342922.db2.gz UOVBXHYKODJOGA-LLVKDONJSA-N 1 3 341.381 2.568 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675779530 548350870 /nfs/dbraw/zinc/35/08/70/548350870.db2.gz CRGWTWDNBWHQLU-WIYYLYMNSA-N 1 3 345.531 2.729 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675779530 548350873 /nfs/dbraw/zinc/35/08/73/548350873.db2.gz CRGWTWDNBWHQLU-WIYYLYMNSA-N 1 3 345.531 2.729 20 0 EFADHO C[NH+](C)CCOc1ccc(CNC(C)(C)C(=O)NCC(C)(C)C)cc1 ZINC000676496995 548484203 /nfs/dbraw/zinc/48/42/03/548484203.db2.gz VLEYIFVXSHUTMK-UHFFFAOYSA-N 1 3 349.519 2.658 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000678037214 548824895 /nfs/dbraw/zinc/82/48/95/548824895.db2.gz OKYFOVVURPQZIW-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](CCO)C1)C1CCN(C)CC1 ZINC000678240739 548874807 /nfs/dbraw/zinc/87/48/07/548874807.db2.gz ZKFAWLXSDDFJGN-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](CCO)C1)C1CCN(C)CC1 ZINC000678240739 548874812 /nfs/dbraw/zinc/87/48/12/548874812.db2.gz ZKFAWLXSDDFJGN-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000678274670 548885191 /nfs/dbraw/zinc/88/51/91/548885191.db2.gz RRIMJXXFWRZIKH-QGZVFWFLSA-N 1 3 331.504 2.828 20 0 EFADHO C[C@H]1CN(Cc2nccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000678285765 548889909 /nfs/dbraw/zinc/88/99/09/548889909.db2.gz BUWMHAOMNZDLFQ-UWJYYQICSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000678687453 548974655 /nfs/dbraw/zinc/97/46/55/548974655.db2.gz ZACAZSZQGXMIPW-CJNGLKHVSA-N 1 3 344.459 2.563 20 0 EFADHO Cc1cc(C)cc(OCCN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000678718891 548977690 /nfs/dbraw/zinc/97/76/90/548977690.db2.gz DATWZGXNZOZXIV-UHFFFAOYSA-N 1 3 333.520 2.640 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000678929531 549018847 /nfs/dbraw/zinc/01/88/47/549018847.db2.gz JQTRVUIOXZDHJF-WMZOPIPTSA-N 1 3 336.524 2.865 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000679005529 549037059 /nfs/dbraw/zinc/03/70/59/549037059.db2.gz VTPCIRLUEFTKMK-GOSISDBHSA-N 1 3 344.547 2.966 20 0 EFADHO C[C@H](NCCOC[C@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679626338 549161130 /nfs/dbraw/zinc/16/11/30/549161130.db2.gz UFAAQWGXWPYCIB-IHPCNDPISA-N 1 3 332.488 2.540 20 0 EFADHO C[C@H](NCCOC[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679626338 549161134 /nfs/dbraw/zinc/16/11/34/549161134.db2.gz UFAAQWGXWPYCIB-IHPCNDPISA-N 1 3 332.488 2.540 20 0 EFADHO c1ncn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000679723177 549190643 /nfs/dbraw/zinc/19/06/43/549190643.db2.gz JHEBQLPHLHUTKX-SLFFLAALSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000679723178 549190794 /nfs/dbraw/zinc/19/07/94/549190794.db2.gz JHEBQLPHLHUTKX-UFYCRDLUSA-N 1 3 339.487 2.559 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680267900 549284648 /nfs/dbraw/zinc/28/46/48/549284648.db2.gz DRJOJOGWHHFIOW-XUVXKRRUSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680267900 549284652 /nfs/dbraw/zinc/28/46/52/549284652.db2.gz DRJOJOGWHHFIOW-XUVXKRRUSA-N 1 3 343.515 2.744 20 0 EFADHO CN(C)c1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000680431983 549322204 /nfs/dbraw/zinc/32/22/04/549322204.db2.gz CCGKPSJFWUKGOZ-UHFFFAOYSA-N 1 3 344.547 2.602 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)C1CCC(F)(F)CC1 ZINC000682733647 549798481 /nfs/dbraw/zinc/79/84/81/549798481.db2.gz ZJKGBVDFCIBCQY-GDBMZVCRSA-N 1 3 329.479 2.959 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](NCc3nc4ccc(F)cc4s3)C2)CC1 ZINC000683201490 549862550 /nfs/dbraw/zinc/86/25/50/549862550.db2.gz CTNYIPSESISTJM-AWEZNQCLSA-N 1 3 348.491 2.694 20 0 EFADHO Cc1ccc(CCC[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)cn1 ZINC000684394148 550034048 /nfs/dbraw/zinc/03/40/48/550034048.db2.gz XYHVBMPHQHFZNC-OAQYLSRUSA-N 1 3 339.483 2.679 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000685449093 550152592 /nfs/dbraw/zinc/15/25/92/550152592.db2.gz VLELQNCNWVXVJM-PXNSSMCTSA-N 1 3 331.504 2.686 20 0 EFADHO CN(Cc1ccc2cnccc2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457679 550154332 /nfs/dbraw/zinc/15/43/32/550154332.db2.gz JLDLCSVMJVZXPL-NRFANRHFSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1ccc2cnccc2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457679 550154333 /nfs/dbraw/zinc/15/43/33/550154333.db2.gz JLDLCSVMJVZXPL-NRFANRHFSA-N 1 3 338.499 2.835 20 0 EFADHO Cc1nccn1CCC[N@@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685462110 550155080 /nfs/dbraw/zinc/15/50/80/550155080.db2.gz BWFXCLVCSUBRBL-UHFFFAOYSA-N 1 3 330.476 2.654 20 0 EFADHO Cc1nccn1CCC[N@H+](C)Cc1ccc(OCCN(C)C)cc1 ZINC000685462110 550155084 /nfs/dbraw/zinc/15/50/84/550155084.db2.gz BWFXCLVCSUBRBL-UHFFFAOYSA-N 1 3 330.476 2.654 20 0 EFADHO CN1CCC(N2CC[C@@H]([N@H+](C)CC3Cc4ccccc4C3)C2)CC1 ZINC000685847986 550188130 /nfs/dbraw/zinc/18/81/30/550188130.db2.gz FQQRKMDNXYCBBT-OAQYLSRUSA-N 1 3 327.516 2.502 20 0 EFADHO CN1CCC(N2CC[C@@H]([N@@H+](C)CC3Cc4ccccc4C3)C2)CC1 ZINC000685847986 550188133 /nfs/dbraw/zinc/18/81/33/550188133.db2.gz FQQRKMDNXYCBBT-OAQYLSRUSA-N 1 3 327.516 2.502 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(Cn3nccc3-c3cccnc3)C2)CC1 ZINC000755779110 575632478 /nfs/dbraw/zinc/63/24/78/575632478.db2.gz IHVLQBYGCMPRQN-GOSISDBHSA-N 1 3 325.460 2.566 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000757727372 575851789 /nfs/dbraw/zinc/85/17/89/575851789.db2.gz HIRRRJHSFCXOOY-LOTPSLMQSA-N 1 3 348.535 2.565 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000760703599 576064011 /nfs/dbraw/zinc/06/40/11/576064011.db2.gz PHJWBQPKMQRCCD-UHFFFAOYSA-N 1 3 332.488 2.725 20 0 EFADHO CN(C)C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)c2ccccc2O1 ZINC000760993514 576098416 /nfs/dbraw/zinc/09/84/16/576098416.db2.gz BPARQODSWDXQHN-QGZVFWFLSA-N 1 3 345.487 2.608 20 0 EFADHO FC(F)(F)[C@@H]1CCN(CCOCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761054823 576106449 /nfs/dbraw/zinc/10/64/49/576106449.db2.gz JSGBRISUJSXCCC-VXGBXAGGSA-N 1 3 348.331 2.771 20 0 EFADHO FC(F)(F)[C@@H]1CCN(CCOCC[N@H+]2CC[C@@H](C(F)(F)F)C2)C1 ZINC000761054823 576106453 /nfs/dbraw/zinc/10/64/53/576106453.db2.gz JSGBRISUJSXCCC-VXGBXAGGSA-N 1 3 348.331 2.771 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@H](O)c2ccco2)[C@@H](C)C1 ZINC000763414292 576376525 /nfs/dbraw/zinc/37/65/25/576376525.db2.gz IOFXIMIEWBFCKE-MHORFTMASA-N 1 3 338.492 2.818 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@H](O)c2ccco2)[C@@H](C)C1 ZINC000763414292 576376526 /nfs/dbraw/zinc/37/65/26/576376526.db2.gz IOFXIMIEWBFCKE-MHORFTMASA-N 1 3 338.492 2.818 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763738841 576394305 /nfs/dbraw/zinc/39/43/05/576394305.db2.gz VBQORWDYKKROMB-GOSISDBHSA-N 1 3 343.471 2.716 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000763738841 576394307 /nfs/dbraw/zinc/39/43/07/576394307.db2.gz VBQORWDYKKROMB-GOSISDBHSA-N 1 3 343.471 2.716 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763758873 576396672 /nfs/dbraw/zinc/39/66/72/576396672.db2.gz HVDKFAILQDOULN-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763758873 576396674 /nfs/dbraw/zinc/39/66/74/576396674.db2.gz HVDKFAILQDOULN-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763777014 576397917 /nfs/dbraw/zinc/39/79/17/576397917.db2.gz CUNQWPDRXKQHAH-KBAYOESNSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763777014 576397918 /nfs/dbraw/zinc/39/79/18/576397918.db2.gz CUNQWPDRXKQHAH-KBAYOESNSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763777011 576397942 /nfs/dbraw/zinc/39/79/42/576397942.db2.gz CUNQWPDRXKQHAH-BPQIPLTHSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763777011 576397944 /nfs/dbraw/zinc/39/79/44/576397944.db2.gz CUNQWPDRXKQHAH-BPQIPLTHSA-N 1 3 328.456 2.582 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764935386 576526309 /nfs/dbraw/zinc/52/63/09/576526309.db2.gz XBGCUFTYLBZANP-MSOLQXFVSA-N 1 3 341.503 2.549 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@@H](C)C1 ZINC000765250043 577023290 /nfs/dbraw/zinc/02/32/90/577023290.db2.gz ASNVHXQVKZIQIK-FHWLQOOXSA-N 1 3 325.541 2.587 20 0 EFADHO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000765629014 577060811 /nfs/dbraw/zinc/06/08/11/577060811.db2.gz GBVIIORRMSPGLB-WBVHZDCISA-N 1 3 349.475 2.508 20 0 EFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1(C)C ZINC000765813833 577079990 /nfs/dbraw/zinc/07/99/90/577079990.db2.gz VMDQLDQBLXORSW-RTBURBONSA-N 1 3 337.552 2.727 20 0 EFADHO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000765947914 577091209 /nfs/dbraw/zinc/09/12/09/577091209.db2.gz XSEMTUBTLOJKRL-MJGOQNOKSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCNc2ncccn2)CC1 ZINC000766517175 577160733 /nfs/dbraw/zinc/16/07/33/577160733.db2.gz LSLGJFNHJFZZEN-AEFFLSMTSA-N 1 3 331.508 2.911 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925866 577243044 /nfs/dbraw/zinc/24/30/44/577243044.db2.gz GIGMOGABFXFWKV-VQTJNVASSA-N 1 3 325.456 2.702 20 0 EFADHO CCN1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000769617586 577375525 /nfs/dbraw/zinc/37/55/25/577375525.db2.gz YMKUUJPKDWJFKJ-UHFFFAOYSA-N 1 3 338.540 2.770 20 0 EFADHO CCOC(=O)N1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000769938825 577394426 /nfs/dbraw/zinc/39/44/26/577394426.db2.gz KNGZGVLYPMMSJR-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO CCOC(=O)N1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000769938825 577394427 /nfs/dbraw/zinc/39/44/27/577394427.db2.gz KNGZGVLYPMMSJR-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO CC[NH+](CC)CCOC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O ZINC000772042386 581274860 /nfs/dbraw/zinc/27/48/60/581274860.db2.gz QYNZPYPNXYPQOT-KRWDZBQOSA-N 1 3 332.444 2.541 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033377 581389766 /nfs/dbraw/zinc/38/97/66/581389766.db2.gz SLSAHNAGRMYHEI-AOIWGVFYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033377 581389767 /nfs/dbraw/zinc/38/97/67/581389767.db2.gz SLSAHNAGRMYHEI-AOIWGVFYSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000390640080 1249592792 /nfs/dbraw/zinc/59/27/92/1249592792.db2.gz KQTMYTMBRSZVPY-DOTOQJQBSA-N 1 3 340.895 2.537 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000390640080 1249592805 /nfs/dbraw/zinc/59/28/05/1249592805.db2.gz KQTMYTMBRSZVPY-DOTOQJQBSA-N 1 3 340.895 2.537 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167836296 1249691252 /nfs/dbraw/zinc/69/12/52/1249691252.db2.gz SGSXILOHRAVROM-UHFFFAOYSA-N 1 3 335.536 2.785 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172218 1250195608 /nfs/dbraw/zinc/19/56/08/1250195608.db2.gz UZVPJRJLNLRQAL-OXQOHEQNSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172218 1250195615 /nfs/dbraw/zinc/19/56/15/1250195615.db2.gz UZVPJRJLNLRQAL-OXQOHEQNSA-N 1 3 337.467 2.786 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929018 1250348633 /nfs/dbraw/zinc/34/86/33/1250348633.db2.gz KLNVFSGBLRQASO-CHWSQXEVSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929018 1250348645 /nfs/dbraw/zinc/34/86/45/1250348645.db2.gz KLNVFSGBLRQASO-CHWSQXEVSA-N 1 3 347.286 2.665 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000109068178 1247808613 /nfs/dbraw/zinc/80/86/13/1247808613.db2.gz BGNHFGDEWOPUPV-KRWDZBQOSA-N 1 3 348.510 2.542 20 0 EFADHO COCC[NH+]1CCC(NCc2ccc(Br)cc2)CC1 ZINC000129466681 1248633671 /nfs/dbraw/zinc/63/36/71/1248633671.db2.gz VRZBYEJCTMMISM-UHFFFAOYSA-N 1 3 327.266 2.650 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]CC[C@@H](C)N2CCCCC2)CC1 ZINC000850459912 1250493707 /nfs/dbraw/zinc/49/37/07/1250493707.db2.gz JVXFGFBGKOZHOX-KLAILNCOSA-N 1 3 325.497 2.898 20 0 EFADHO C[C@H]1CC[C@@H](NCCC2CCN(C(=O)OC(C)(C)C)CC2)C[NH2+]1 ZINC000703999345 1250720358 /nfs/dbraw/zinc/72/03/58/1250720358.db2.gz VFBZPOCONDLQQU-GOEBONIOSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H]1CC[C@H](NCCC2CCN(C(=O)OC(C)(C)C)CC2)C[NH2+]1 ZINC000703999347 1250720758 /nfs/dbraw/zinc/72/07/58/1250720758.db2.gz VFBZPOCONDLQQU-HOCLYGCPSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704449026 1250860787 /nfs/dbraw/zinc/86/07/87/1250860787.db2.gz DDFYGEXLZLVFOJ-ICSRJNTNSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000704449026 1250860799 /nfs/dbraw/zinc/86/07/99/1250860799.db2.gz DDFYGEXLZLVFOJ-ICSRJNTNSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711335436 1251342639 /nfs/dbraw/zinc/34/26/39/1251342639.db2.gz AHEAXWADDPGMFI-SLYNCCJLSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716581190 1251361412 /nfs/dbraw/zinc/36/14/12/1251361412.db2.gz NNEKNJWCVOICRT-YCPHGPKFSA-N 1 3 325.497 2.752 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797008 1251755045 /nfs/dbraw/zinc/75/50/45/1251755045.db2.gz KZWHASWWYSCUKF-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797008 1251755050 /nfs/dbraw/zinc/75/50/50/1251755050.db2.gz KZWHASWWYSCUKF-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003971534 1265617608 /nfs/dbraw/zinc/61/76/08/1265617608.db2.gz QQDXKWHDTKAGNG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003971534 1265617616 /nfs/dbraw/zinc/61/76/16/1265617616.db2.gz QQDXKWHDTKAGNG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001003967219 1265630004 /nfs/dbraw/zinc/63/00/04/1265630004.db2.gz JNVOUCMYEUWIRY-ZXYDQQDNSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001003967219 1265630012 /nfs/dbraw/zinc/63/00/12/1265630012.db2.gz JNVOUCMYEUWIRY-ZXYDQQDNSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001484056794 1252135191 /nfs/dbraw/zinc/13/51/91/1252135191.db2.gz CINDENSNAOJSQC-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484112362 1252261257 /nfs/dbraw/zinc/26/12/57/1252261257.db2.gz FWAWDXFRXGLVRS-HXUWFJFHSA-N 1 3 340.471 2.543 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)C1 ZINC001003968783 1265640177 /nfs/dbraw/zinc/64/01/77/1265640177.db2.gz UPVIXZNCCSYAJX-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)C1 ZINC001003968783 1265640185 /nfs/dbraw/zinc/64/01/85/1265640185.db2.gz UPVIXZNCCSYAJX-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC001106908349 1252315764 /nfs/dbraw/zinc/31/57/64/1252315764.db2.gz WTFDKAPJERZCST-IXDOHACOSA-N 1 3 349.494 2.913 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106910671 1252415845 /nfs/dbraw/zinc/41/58/45/1252415845.db2.gz JFFPQTHQOMHXNU-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001106910812 1252440061 /nfs/dbraw/zinc/44/00/61/1252440061.db2.gz POWCQLKSIJPFPN-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@H](C)C1 ZINC001106910804 1252440759 /nfs/dbraw/zinc/44/07/59/1252440759.db2.gz PJYQWHSLJUTZKT-JWHDQAAXSA-N 1 3 337.552 2.839 20 0 EFADHO CN(CCC[N@H+](C)C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001484736705 1252870743 /nfs/dbraw/zinc/87/07/43/1252870743.db2.gz PIVWLGTWSMZHIC-UBIUBJKMSA-N 1 3 329.488 2.574 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001484736705 1252870755 /nfs/dbraw/zinc/87/07/55/1252870755.db2.gz PIVWLGTWSMZHIC-UBIUBJKMSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001484758261 1252928568 /nfs/dbraw/zinc/92/85/68/1252928568.db2.gz ABAUHNZOAKPFPK-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001484758261 1252928575 /nfs/dbraw/zinc/92/85/75/1252928575.db2.gz ABAUHNZOAKPFPK-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003983995 1265689069 /nfs/dbraw/zinc/68/90/69/1265689069.db2.gz XVJQEHLPIPNZNQ-HNNXBMFYSA-N 1 3 345.462 2.563 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995799407 1254709201 /nfs/dbraw/zinc/70/92/01/1254709201.db2.gz RVSRNLKBUWTFRR-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)cc1 ZINC000995891859 1254813711 /nfs/dbraw/zinc/81/37/11/1254813711.db2.gz DQJIKHBISGFNBF-GOSISDBHSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CC1 ZINC000995892867 1254814792 /nfs/dbraw/zinc/81/47/92/1254814792.db2.gz GITGZEDRIHONCJ-IRXDYDNUSA-N 1 3 335.536 2.589 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)CCC1 ZINC000995882782 1254830664 /nfs/dbraw/zinc/83/06/64/1254830664.db2.gz ATBYZGZDIQSVGY-KRWDZBQOSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCc3ccccc3)C(C)(C)C2)CCC1 ZINC000995883696 1254830757 /nfs/dbraw/zinc/83/07/57/1254830757.db2.gz FCRJTICSGZCARS-GOSISDBHSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)c1 ZINC000995884592 1254832367 /nfs/dbraw/zinc/83/23/67/1254832367.db2.gz GPSQNHZIZTZTAT-SFHVURJKSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)CCC1 ZINC000995889560 1254837118 /nfs/dbraw/zinc/83/71/18/1254837118.db2.gz WLSSSFZZUXSDIF-QGZVFWFLSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCc3cccs3)C(C)(C)C2)CCC1 ZINC000995887970 1254838132 /nfs/dbraw/zinc/83/81/32/1254838132.db2.gz QUKUNOQOWJCJAF-INIZCTEOSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)cc1 ZINC000995917736 1254841101 /nfs/dbraw/zinc/84/11/01/1254841101.db2.gz MKGJPBSQPQZWJO-LJQANCHMSA-N 1 3 343.515 2.806 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)C1CCC1 ZINC000995917607 1254841153 /nfs/dbraw/zinc/84/11/53/1254841153.db2.gz LJUBNWFJPXJTAT-GOSISDBHSA-N 1 3 347.478 2.637 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CCC1 ZINC000995919475 1254841400 /nfs/dbraw/zinc/84/14/00/1254841400.db2.gz RIGYLQQUWFWODK-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC1(C)C ZINC000995914525 1254853732 /nfs/dbraw/zinc/85/37/32/1254853732.db2.gz DIXGPEAABXEQKK-IBGZPJMESA-N 1 3 343.515 2.806 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C(C)(C)C1)C1CCC1 ZINC000995916091 1254856140 /nfs/dbraw/zinc/85/61/40/1254856140.db2.gz IJEYXLIHGCMBLJ-QGZVFWFLSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1)N(C)C ZINC000995932499 1254866148 /nfs/dbraw/zinc/86/61/48/1254866148.db2.gz JOHCACGIYJYUGH-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CN(C(=O)[C@@H](CC)N(C)C)CC2(C)C)c1 ZINC000995950603 1254876498 /nfs/dbraw/zinc/87/64/98/1254876498.db2.gz ORCNQSQZZWFPLO-MOPGFXCFSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C(C)(C)C1)N(C)C ZINC000995954137 1254882341 /nfs/dbraw/zinc/88/23/41/1254882341.db2.gz WJFDMTCXCUDMMY-QZTJIDSGSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)N1CCCC1 ZINC000996124571 1255028391 /nfs/dbraw/zinc/02/83/91/1255028391.db2.gz GTNRIPSVVWETLO-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N3CCCC3)CC2(C)C)C1 ZINC000996123668 1255029121 /nfs/dbraw/zinc/02/91/21/1255029121.db2.gz DABKUHHCINISAH-OFLPRAFFSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N1CCCC1 ZINC000996136729 1255060575 /nfs/dbraw/zinc/06/05/75/1255060575.db2.gz PYIFUWMBFHIHAK-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1NCCF ZINC000996193369 1255092413 /nfs/dbraw/zinc/09/24/13/1255092413.db2.gz VHBLPENHSCQCPV-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1NCCF ZINC000996193369 1255092421 /nfs/dbraw/zinc/09/24/21/1255092421.db2.gz VHBLPENHSCQCPV-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000996300048 1255184340 /nfs/dbraw/zinc/18/43/40/1255184340.db2.gz JEMDECDEVDNDQL-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000996300430 1255184755 /nfs/dbraw/zinc/18/47/55/1255184755.db2.gz MFAVSGUKOVQBSR-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000996299903 1255184864 /nfs/dbraw/zinc/18/48/64/1255184864.db2.gz GNXFOZHHXCABOY-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000996299884 1255185168 /nfs/dbraw/zinc/18/51/68/1255185168.db2.gz GGMVEEDCHJADJU-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996299885 1255185294 /nfs/dbraw/zinc/18/52/94/1255185294.db2.gz GGPGNPIWXSPMGN-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCc2cccs2)C(C)(C)C1 ZINC000996302665 1255188258 /nfs/dbraw/zinc/18/82/58/1255188258.db2.gz YOPGEQHVNUOCJN-WBVHZDCISA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C(C)(C)C1)N(C)C ZINC000996316067 1255198397 /nfs/dbraw/zinc/19/83/97/1255198397.db2.gz WJFDMTCXCUDMMY-ZWKOTPCHSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cc1C ZINC000996353668 1255240987 /nfs/dbraw/zinc/24/09/87/1255240987.db2.gz BXNFCGYMCFYMNL-GOSISDBHSA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996378141 1255259438 /nfs/dbraw/zinc/25/94/38/1255259438.db2.gz FMSGPZZUWGANIM-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000996664128 1255682115 /nfs/dbraw/zinc/68/21/15/1255682115.db2.gz FQSLBKJYQGCGKA-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccccc1 ZINC000996663962 1255682189 /nfs/dbraw/zinc/68/21/89/1255682189.db2.gz BRQCPDIDTOFVTN-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccc(F)cc1 ZINC000996667053 1255685258 /nfs/dbraw/zinc/68/52/58/1255685258.db2.gz WFRNRICJOFNMNK-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccccc1F ZINC000996667459 1255687148 /nfs/dbraw/zinc/68/71/48/1255687148.db2.gz ZDAWEUHGBGNMGA-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)c1 ZINC000996664524 1255698137 /nfs/dbraw/zinc/69/81/37/1255698137.db2.gz PUCLLEHHKQNZJU-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CCC(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000996665434 1255701386 /nfs/dbraw/zinc/70/13/86/1255701386.db2.gz LRVXDWWNWMFIOJ-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000996691158 1255753937 /nfs/dbraw/zinc/75/39/37/1255753937.db2.gz HWHCXJVTPJRVPB-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC000996696916 1255767566 /nfs/dbraw/zinc/76/75/66/1255767566.db2.gz QKSJPKBWVBDTBR-APWZRJJASA-N 1 3 331.504 2.914 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000996699204 1255772377 /nfs/dbraw/zinc/77/23/77/1255772377.db2.gz XCGLBJWXCNYHPZ-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC000996710283 1255787138 /nfs/dbraw/zinc/78/71/38/1255787138.db2.gz BQNRHASFRUEWEQ-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC000996710215 1255787243 /nfs/dbraw/zinc/78/72/43/1255787243.db2.gz AKEFORAXLUMCEQ-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1)N(C)C ZINC000996710278 1255787383 /nfs/dbraw/zinc/78/73/83/1255787383.db2.gz BJTVNOWMGRULHR-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000996711045 1255803816 /nfs/dbraw/zinc/80/38/16/1255803816.db2.gz IORVBYOFHCEZCE-RTBURBONSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1)N(C)C ZINC000996711683 1255809207 /nfs/dbraw/zinc/80/92/07/1255809207.db2.gz KLGBVISLSSHZOI-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436818 1255814761 /nfs/dbraw/zinc/81/47/61/1255814761.db2.gz RXDVSQJTAGIWEY-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436818 1255814774 /nfs/dbraw/zinc/81/47/74/1255814774.db2.gz RXDVSQJTAGIWEY-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436630 1255815424 /nfs/dbraw/zinc/81/54/24/1255815424.db2.gz HKPSOBZMODNAJZ-LZLYRXPVSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436630 1255815440 /nfs/dbraw/zinc/81/54/40/1255815440.db2.gz HKPSOBZMODNAJZ-LZLYRXPVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438622 1255820070 /nfs/dbraw/zinc/82/00/70/1255820070.db2.gz FGNXXSZFPPVBOP-QWFCFKBJSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107438622 1255820080 /nfs/dbraw/zinc/82/00/80/1255820080.db2.gz FGNXXSZFPPVBOP-QWFCFKBJSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438655 1255821981 /nfs/dbraw/zinc/82/19/81/1255821981.db2.gz GKBRCLKVPUPDMH-KVSKMBFKSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438655 1255821988 /nfs/dbraw/zinc/82/19/88/1255821988.db2.gz GKBRCLKVPUPDMH-KVSKMBFKSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1)N(C)C ZINC000996713404 1255824474 /nfs/dbraw/zinc/82/44/74/1255824474.db2.gz UUXBAPIMERPMQW-QGZVFWFLSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2)N(C)C ZINC001107450859 1255855565 /nfs/dbraw/zinc/85/55/65/1255855565.db2.gz OJWPYMFTJHOEEZ-ZHALLVOQSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2)N(C)C ZINC001107450859 1255855569 /nfs/dbraw/zinc/85/55/69/1255855569.db2.gz OJWPYMFTJHOEEZ-ZHALLVOQSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1)N(C)C ZINC000996720896 1255876646 /nfs/dbraw/zinc/87/66/46/1255876646.db2.gz VQLWBFTVUMQDHN-RDTXWAMCSA-N 1 3 335.467 2.808 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485381 1255954034 /nfs/dbraw/zinc/95/40/34/1255954034.db2.gz YNWNEXHPPOAUQT-QWFCFKBJSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485381 1255954041 /nfs/dbraw/zinc/95/40/41/1255954041.db2.gz YNWNEXHPPOAUQT-QWFCFKBJSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)N(C)C ZINC001107533902 1256069980 /nfs/dbraw/zinc/06/99/80/1256069980.db2.gz MEVXVCHEMHYKLA-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)N(C)C ZINC001107533902 1256069986 /nfs/dbraw/zinc/06/99/86/1256069986.db2.gz MEVXVCHEMHYKLA-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)CC(C)(C)C ZINC001107553065 1256118185 /nfs/dbraw/zinc/11/81/85/1256118185.db2.gz ZVOLOHYFEOGGQP-VQIMIIECSA-N 1 3 341.515 2.685 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)CC(C)(C)C ZINC001107553065 1256118196 /nfs/dbraw/zinc/11/81/96/1256118196.db2.gz ZVOLOHYFEOGGQP-VQIMIIECSA-N 1 3 341.515 2.685 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2 ZINC001107583119 1256180778 /nfs/dbraw/zinc/18/07/78/1256180778.db2.gz QTJALASTYUNNBN-IEBWSBKVSA-N 1 3 341.515 2.829 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC001107583119 1256180782 /nfs/dbraw/zinc/18/07/82/1256180782.db2.gz QTJALASTYUNNBN-IEBWSBKVSA-N 1 3 341.515 2.829 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107613819 1256298092 /nfs/dbraw/zinc/29/80/92/1256298092.db2.gz AALQVVMVLLLFHB-OMBXOEEJSA-N 1 3 341.927 2.832 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646112 1256371523 /nfs/dbraw/zinc/37/15/23/1256371523.db2.gz CNOCXVRVKJROHR-WSTZPKSXSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646112 1256371526 /nfs/dbraw/zinc/37/15/26/1256371526.db2.gz CNOCXVRVKJROHR-WSTZPKSXSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000996975981 1256615086 /nfs/dbraw/zinc/61/50/86/1256615086.db2.gz BJWHFVOQXRYWKD-LJQANCHMSA-N 1 3 349.494 2.823 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000996995762 1256645372 /nfs/dbraw/zinc/64/53/72/1256645372.db2.gz QFJBHRZDTBFSHP-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000996998490 1256652093 /nfs/dbraw/zinc/65/20/93/1256652093.db2.gz KAVNXESQICMREP-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000996998488 1256652385 /nfs/dbraw/zinc/65/23/85/1256652385.db2.gz KAVNXESQICMREP-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996999240 1256653159 /nfs/dbraw/zinc/65/31/59/1256653159.db2.gz MYPNJOLBEAINFQ-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccccc1F ZINC000996999048 1256654003 /nfs/dbraw/zinc/65/40/03/1256654003.db2.gz LSRUELZLFIKAFW-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000997003108 1256656752 /nfs/dbraw/zinc/65/67/52/1256656752.db2.gz YRGLNWWOMKWVRY-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1C ZINC000997000589 1256657004 /nfs/dbraw/zinc/65/70/04/1256657004.db2.gz RPIKFGDUYKTHCN-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)C1 ZINC000996996884 1256663676 /nfs/dbraw/zinc/66/36/76/1256663676.db2.gz AJJYJMAYZOFCQC-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC000997005332 1256666986 /nfs/dbraw/zinc/66/69/86/1256666986.db2.gz HYZYMRYGCKYXDI-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997005624 1256668573 /nfs/dbraw/zinc/66/85/73/1256668573.db2.gz IWVOINFVWLAOEC-WMZOPIPTSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCCCCC3)CC2)C1 ZINC000997006407 1256668784 /nfs/dbraw/zinc/66/87/84/1256668784.db2.gz LXGPYUABAQMJPG-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000997007304 1256671781 /nfs/dbraw/zinc/67/17/81/1256671781.db2.gz PVWLSQDBQICIIL-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1)N(C)C ZINC000997009611 1256681859 /nfs/dbraw/zinc/68/18/59/1256681859.db2.gz LFTGVSDTCOQGJQ-AWEZNQCLSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1)N(C)C ZINC000997010389 1256682923 /nfs/dbraw/zinc/68/29/23/1256682923.db2.gz UUXBAPIMERPMQW-KRWDZBQOSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1)N(C)C ZINC000997011650 1256683935 /nfs/dbraw/zinc/68/39/35/1256683935.db2.gz CCTVJNWYDVMKQK-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1)N(C)C ZINC000997014798 1256687976 /nfs/dbraw/zinc/68/79/76/1256687976.db2.gz KLGBVISLSSHZOI-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1)N(C)C ZINC000997016627 1256691505 /nfs/dbraw/zinc/69/15/05/1256691505.db2.gz VQLWBFTVUMQDHN-KDOFPFPSSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997037123 1256721695 /nfs/dbraw/zinc/72/16/95/1256721695.db2.gz UEKOMNMXQWJQCW-CVEARBPZSA-N 1 3 332.492 2.749 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997080936 1256797724 /nfs/dbraw/zinc/79/77/24/1256797724.db2.gz YEFGROFQLWWRDC-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997080931 1256798045 /nfs/dbraw/zinc/79/80/45/1256798045.db2.gz YEFGROFQLWWRDC-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CCCCC3)CC2)CC1 ZINC000997115413 1256953024 /nfs/dbraw/zinc/95/30/24/1256953024.db2.gz NCMCHPPZMYUTBG-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)cs1 ZINC000997115760 1256954673 /nfs/dbraw/zinc/95/46/73/1256954673.db2.gz QSUCZLQEVMCXOD-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032399975 1257088641 /nfs/dbraw/zinc/08/86/41/1257088641.db2.gz ODEGFRWKPIBVAS-BZSNNMDCSA-N 1 3 333.520 2.581 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032399975 1257088648 /nfs/dbraw/zinc/08/86/48/1257088648.db2.gz ODEGFRWKPIBVAS-BZSNNMDCSA-N 1 3 333.520 2.581 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000997307021 1257385547 /nfs/dbraw/zinc/38/55/47/1257385547.db2.gz LIDDLDDZRVNUEP-UHFFFAOYSA-N 1 3 333.520 2.633 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000997306284 1257386442 /nfs/dbraw/zinc/38/64/42/1257386442.db2.gz BKMJILKSYBKZIT-MSOLQXFVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000997307922 1257386485 /nfs/dbraw/zinc/38/64/85/1257386485.db2.gz XTFBIMQRGHIJJO-UHFFFAOYSA-N 1 3 343.515 2.788 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000997307820 1257386614 /nfs/dbraw/zinc/38/66/14/1257386614.db2.gz WNQLNMOKASBURD-UHFFFAOYSA-N 1 3 335.879 2.516 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000997364346 1257451457 /nfs/dbraw/zinc/45/14/57/1257451457.db2.gz LWLULTASIDHNOT-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000997367230 1257456470 /nfs/dbraw/zinc/45/64/70/1257456470.db2.gz YNTLZBURQUDSRH-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO Cn1cnc2cc(CNCc3ccc(OCC[NH+](C)C)cc3)ccc21 ZINC000922483453 1266117020 /nfs/dbraw/zinc/11/70/20/1266117020.db2.gz ZNHCKYDDOGUDFZ-UHFFFAOYSA-N 1 3 338.455 2.804 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000997369179 1257475116 /nfs/dbraw/zinc/47/51/16/1257475116.db2.gz YYULWWFZGFMFAV-IBGZPJMESA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032434040 1257477425 /nfs/dbraw/zinc/47/74/25/1257477425.db2.gz YEXYGTZTQPMXEQ-OKZBNKHCSA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032434040 1257477429 /nfs/dbraw/zinc/47/74/29/1257477429.db2.gz YEXYGTZTQPMXEQ-OKZBNKHCSA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032433821 1257477497 /nfs/dbraw/zinc/47/74/97/1257477497.db2.gz SMZBIRQEVQKFQI-GBESFXJTSA-N 1 3 345.531 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032433821 1257477501 /nfs/dbraw/zinc/47/75/01/1257477501.db2.gz SMZBIRQEVQKFQI-GBESFXJTSA-N 1 3 345.531 2.726 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1)C1CC1 ZINC001032445718 1257482205 /nfs/dbraw/zinc/48/22/05/1257482205.db2.gz OJBXTOJUQYZSGF-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1)C1CC1 ZINC001032445718 1257482213 /nfs/dbraw/zinc/48/22/13/1257482213.db2.gz OJBXTOJUQYZSGF-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032455872 1257518996 /nfs/dbraw/zinc/51/89/96/1257518996.db2.gz DRVPPWCTVNUWLM-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032455872 1257519003 /nfs/dbraw/zinc/51/90/03/1257519003.db2.gz DRVPPWCTVNUWLM-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997607743 1258104125 /nfs/dbraw/zinc/10/41/25/1258104125.db2.gz QPKJSKWAQDUHHQ-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO CC1CCC(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000997611965 1258110011 /nfs/dbraw/zinc/11/00/11/1258110011.db2.gz IKCMWUXNMZMYCZ-TVPLGVNVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC000997612618 1258110719 /nfs/dbraw/zinc/11/07/19/1258110719.db2.gz JXQAXWYFWPQJDG-KXBFYZLASA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000997614436 1258117877 /nfs/dbraw/zinc/11/78/77/1258117877.db2.gz QSUVSYJDGRNFDI-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001203459656 1258126261 /nfs/dbraw/zinc/12/62/61/1258126261.db2.gz HOHQIMFPGIYAMR-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001203459715 1258132810 /nfs/dbraw/zinc/13/28/10/1258132810.db2.gz IKPZIYHAIDYLIC-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032539730 1258273626 /nfs/dbraw/zinc/27/36/26/1258273626.db2.gz GHTJMLTYFMJBDI-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C)nc1C ZINC001168595304 1258372233 /nfs/dbraw/zinc/37/22/33/1258372233.db2.gz INZGWWGYDHWWRZ-UHFFFAOYSA-N 1 3 348.535 2.806 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1 ZINC000997785809 1258403951 /nfs/dbraw/zinc/40/39/51/1258403951.db2.gz DYZMRSBJPBAGBO-WMZOPIPTSA-N 1 3 341.515 2.826 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001168596883 1258409147 /nfs/dbraw/zinc/40/91/47/1258409147.db2.gz RSAWPNCHJKVJAJ-HOCLYGCPSA-N 1 3 347.507 2.810 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000997824112 1258495662 /nfs/dbraw/zinc/49/56/62/1258495662.db2.gz QISZDPWNLTYTJF-OXJNMPFZSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000997824114 1258495749 /nfs/dbraw/zinc/49/57/49/1258495749.db2.gz QISZDPWNLTYTJF-OXQOHEQNSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC000997823407 1258496484 /nfs/dbraw/zinc/49/64/84/1258496484.db2.gz NJENRNYKPCGLLZ-QRVBRYPASA-N 1 3 347.547 2.735 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC000997856370 1258530109 /nfs/dbraw/zinc/53/01/09/1258530109.db2.gz VBBJABOCXMCMLP-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC000997854495 1258533269 /nfs/dbraw/zinc/53/32/69/1258533269.db2.gz FPSPRGBYNFEHEN-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC000997857336 1258534195 /nfs/dbraw/zinc/53/41/95/1258534195.db2.gz ZCLSWXMDSMGFKN-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001168607206 1258598862 /nfs/dbraw/zinc/59/88/62/1258598862.db2.gz SIKQAULMDPCUAY-UHFFFAOYSA-N 1 3 338.323 2.913 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032581364 1258764110 /nfs/dbraw/zinc/76/41/10/1258764110.db2.gz SAXYXKSPHLVGFJ-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032581364 1258764116 /nfs/dbraw/zinc/76/41/16/1258764116.db2.gz SAXYXKSPHLVGFJ-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465433 1258765968 /nfs/dbraw/zinc/76/59/68/1258765968.db2.gz XPHWZGLPVHNJDC-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465433 1258765973 /nfs/dbraw/zinc/76/59/73/1258765973.db2.gz XPHWZGLPVHNJDC-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004204024 1266215179 /nfs/dbraw/zinc/21/51/79/1266215179.db2.gz OAEYAKMCYCOXSI-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC001004204108 1266216070 /nfs/dbraw/zinc/21/60/70/1266216070.db2.gz PLDKHAHDRGZZPM-ROUUACIJSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@@H+]1C ZINC001032588339 1258906063 /nfs/dbraw/zinc/90/60/63/1258906063.db2.gz AJEAFJSLUMHMQL-WNHJNPCNSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@H+]1C ZINC001032588339 1258906070 /nfs/dbraw/zinc/90/60/70/1258906070.db2.gz AJEAFJSLUMHMQL-WNHJNPCNSA-N 1 3 333.520 2.582 20 0 EFADHO COCCC1([NH3+])CCN([C@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168612880 1258960548 /nfs/dbraw/zinc/96/05/48/1258960548.db2.gz CZBGBKJUJIYMGU-HKUYNNGSSA-N 1 3 348.487 2.745 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001004206434 1266233248 /nfs/dbraw/zinc/23/32/48/1266233248.db2.gz LNYSOATWWOVWPD-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC000998083094 1259085618 /nfs/dbraw/zinc/08/56/18/1259085618.db2.gz UQZIMNPLQVQNGG-OAHLLOKOSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC000998083698 1259086731 /nfs/dbraw/zinc/08/67/31/1259086731.db2.gz XMOOPQVUYSWOMC-ROUUACIJSA-N 1 3 343.515 2.918 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]Cc3ccccc3)CC2)C1 ZINC000998084179 1259087054 /nfs/dbraw/zinc/08/70/54/1259087054.db2.gz ZVHUJZQVNZXYMA-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC000998084069 1259087072 /nfs/dbraw/zinc/08/70/72/1259087072.db2.gz YOIQDQYYUVUTEY-HNNXBMFYSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001004206430 1266233489 /nfs/dbraw/zinc/23/34/89/1266233489.db2.gz LNYSOATWWOVWPD-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000998118211 1259128696 /nfs/dbraw/zinc/12/86/96/1259128696.db2.gz FBWNUGUKWLAEMA-UHFFFAOYSA-N 1 3 340.471 2.543 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)c1 ZINC000998120719 1259136100 /nfs/dbraw/zinc/13/61/00/1259136100.db2.gz RLBJBBVPOHRJEH-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602877 1259158358 /nfs/dbraw/zinc/15/83/58/1259158358.db2.gz FVQAIQVACPXHOH-SLFFLAALSA-N 1 3 341.499 2.765 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188852 1259211127 /nfs/dbraw/zinc/21/11/27/1259211127.db2.gz KXFDRUOZUNMGPE-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188852 1259211134 /nfs/dbraw/zinc/21/11/34/1259211134.db2.gz KXFDRUOZUNMGPE-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032629024 1259436195 /nfs/dbraw/zinc/43/61/95/1259436195.db2.gz RJRUDDZHYNZPBV-TXPKVOOTSA-N 1 3 339.499 2.530 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032629024 1259436201 /nfs/dbraw/zinc/43/62/01/1259436201.db2.gz RJRUDDZHYNZPBV-TXPKVOOTSA-N 1 3 339.499 2.530 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000998548405 1259675242 /nfs/dbraw/zinc/67/52/42/1259675242.db2.gz HOONGULFRSERGC-YIZWMMSDSA-N 1 3 341.908 2.575 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001036556698 1259676767 /nfs/dbraw/zinc/67/67/67/1259676767.db2.gz PQJNGDRLVXOQMS-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000998550619 1259677031 /nfs/dbraw/zinc/67/70/31/1259677031.db2.gz NJSJOJBHYPRFFE-ABHNRTSZSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001036580097 1259733596 /nfs/dbraw/zinc/73/35/96/1259733596.db2.gz XEFRWTVCBQJZQG-QFBILLFUSA-N 1 3 340.471 2.678 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998725295 1259878832 /nfs/dbraw/zinc/87/88/32/1259878832.db2.gz WHZFBJYHQATDRF-JSGCOSHPSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1 ZINC000946517858 1260248257 /nfs/dbraw/zinc/24/82/57/1260248257.db2.gz JWZRTHWVMFJHAF-KSZLIROESA-N 1 3 347.528 2.513 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CC1 ZINC000946517858 1260248263 /nfs/dbraw/zinc/24/82/63/1260248263.db2.gz JWZRTHWVMFJHAF-KSZLIROESA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999146087 1260253491 /nfs/dbraw/zinc/25/34/91/1260253491.db2.gz UZTJQILVNUWHGB-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032663813 1260352825 /nfs/dbraw/zinc/35/28/25/1260352825.db2.gz DHZRNVXXADUHQS-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032663813 1260352833 /nfs/dbraw/zinc/35/28/33/1260352833.db2.gz DHZRNVXXADUHQS-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3ccccc3F)C2)CC[N@@H+]1C ZINC000999294021 1260495722 /nfs/dbraw/zinc/49/57/22/1260495722.db2.gz POMZHVUUJVNFEG-QEFXCSQDSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CC(NCc3ccccc3F)C2)CC[N@H+]1C ZINC000999294021 1260495724 /nfs/dbraw/zinc/49/57/24/1260495724.db2.gz POMZHVUUJVNFEG-QEFXCSQDSA-N 1 3 347.478 2.635 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999308811 1260510733 /nfs/dbraw/zinc/51/07/33/1260510733.db2.gz RSACRYOHOLDAHP-MJGOQNOKSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999308811 1260510739 /nfs/dbraw/zinc/51/07/39/1260510739.db2.gz RSACRYOHOLDAHP-MJGOQNOKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC000999347334 1260551219 /nfs/dbraw/zinc/55/12/19/1260551219.db2.gz JMRJPRYCQSOCQI-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCC3=CCCCC3)C2)CCC1 ZINC000999349804 1260553455 /nfs/dbraw/zinc/55/34/55/1260553455.db2.gz VAPDEPOSTZNQNM-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999350611 1260554158 /nfs/dbraw/zinc/55/41/58/1260554158.db2.gz YVRIFRWGXYZFQO-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1F ZINC000999372904 1260555797 /nfs/dbraw/zinc/55/57/97/1260555797.db2.gz PIYXRRJNCMUXEY-PKOBYXMFSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999376408 1260559295 /nfs/dbraw/zinc/55/92/95/1260559295.db2.gz WCAWAZJWOBDQNG-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999376417 1260560324 /nfs/dbraw/zinc/56/03/24/1260560324.db2.gz WCAWAZJWOBDQNG-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999379378 1260560518 /nfs/dbraw/zinc/56/05/18/1260560518.db2.gz YIZAHBBPWZQKGS-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999378112 1260561004 /nfs/dbraw/zinc/56/10/04/1260561004.db2.gz OXWFMESHPJHANA-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000999380153 1260561931 /nfs/dbraw/zinc/56/19/31/1260561931.db2.gz SOPKSJLJNMKGPP-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999379421 1260563003 /nfs/dbraw/zinc/56/30/03/1260563003.db2.gz YOWKKPPKDQHWCZ-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CC1 ZINC000999362658 1260563804 /nfs/dbraw/zinc/56/38/04/1260563804.db2.gz BIECPGDEMRCVHV-RBUKOAKNSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000999364573 1260567107 /nfs/dbraw/zinc/56/71/07/1260567107.db2.gz NPCGQWBQMNCCPV-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999366674 1260569567 /nfs/dbraw/zinc/56/95/67/1260569567.db2.gz YYHNDWGYSPYBAW-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000999367012 1260570330 /nfs/dbraw/zinc/57/03/30/1260570330.db2.gz DHJFSBAJMYVMGY-QZTJIDSGSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000999369601 1260570735 /nfs/dbraw/zinc/57/07/35/1260570735.db2.gz JMAFAYIZLWXUQL-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999369986 1260570847 /nfs/dbraw/zinc/57/08/47/1260570847.db2.gz KVOSYSGCJQZORW-MOPGFXCFSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC000999369606 1260571001 /nfs/dbraw/zinc/57/10/01/1260571001.db2.gz JMTUKRDGMOOQOE-ROUUACIJSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC000999398811 1260577871 /nfs/dbraw/zinc/57/78/71/1260577871.db2.gz AJGVKPJOOWDDRD-IVMQYODDSA-N 1 3 333.520 2.940 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000999403407 1260596377 /nfs/dbraw/zinc/59/63/77/1260596377.db2.gz OLGNVASIFKTNTE-UHFFFAOYSA-N 1 3 343.515 2.540 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999404465 1260598081 /nfs/dbraw/zinc/59/80/81/1260598081.db2.gz WWCQZKDIDFOTNS-PBPGXSGUSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000999405217 1260598640 /nfs/dbraw/zinc/59/86/40/1260598640.db2.gz DFRMQERDDKHBPJ-KKXNLOMOSA-N 1 3 343.515 2.601 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCc2cccs2)C1 ZINC000999407158 1260599936 /nfs/dbraw/zinc/59/99/36/1260599936.db2.gz DHNHIRNMEUELGU-UHFFFAOYSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1F ZINC000999408408 1260601693 /nfs/dbraw/zinc/60/16/93/1260601693.db2.gz KJLNZCQTGCIDKI-RWBZWWBESA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999407831 1260602902 /nfs/dbraw/zinc/60/29/02/1260602902.db2.gz XKGFJDPULYRABL-FAEJEUNOSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000999409174 1260604400 /nfs/dbraw/zinc/60/44/00/1260604400.db2.gz PBQHBNGYINPUFH-APMMTJHUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999431682 1260620976 /nfs/dbraw/zinc/62/09/76/1260620976.db2.gz DBLJDYKOEHIECQ-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999433069 1260621727 /nfs/dbraw/zinc/62/17/27/1260621727.db2.gz JNTKAQZVDAFQCD-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999467615 1260658899 /nfs/dbraw/zinc/65/88/99/1260658899.db2.gz CRQQOZIYFBXZQP-HPUBIQBYSA-N 1 3 326.444 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000999489626 1260712036 /nfs/dbraw/zinc/71/20/36/1260712036.db2.gz KZSRFHOARCBHAF-FUHWJXTLSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000999490047 1260712981 /nfs/dbraw/zinc/71/29/81/1260712981.db2.gz NXTYJVLLESLPLR-IEBWSBKVSA-N 1 3 342.487 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000999490779 1260713208 /nfs/dbraw/zinc/71/32/08/1260713208.db2.gz SNTBTUJEGZVECD-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999489797 1260713274 /nfs/dbraw/zinc/71/32/74/1260713274.db2.gz NAXQHMLHBAWIFT-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCc3ccccc3)C2)CC1 ZINC000999598999 1260762030 /nfs/dbraw/zinc/76/20/30/1260762030.db2.gz PATKXUFDNCUDBO-UHFFFAOYSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCc2ccccc2Cl)C1 ZINC000999834091 1260945756 /nfs/dbraw/zinc/94/57/56/1260945756.db2.gz QMSJZNKIJZMONA-UHFFFAOYSA-N 1 3 349.906 2.557 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000999876559 1260964863 /nfs/dbraw/zinc/96/48/63/1260964863.db2.gz OCWFHGGHYRXFBP-JCYILVPMSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033071224 1266377373 /nfs/dbraw/zinc/37/73/73/1266377373.db2.gz XMSHEFSDQSKWNN-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033071224 1266377385 /nfs/dbraw/zinc/37/73/85/1266377385.db2.gz XMSHEFSDQSKWNN-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033071351 1266381226 /nfs/dbraw/zinc/38/12/26/1266381226.db2.gz ZJOFRFAYRIEFFS-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033071351 1266381232 /nfs/dbraw/zinc/38/12/32/1266381232.db2.gz ZJOFRFAYRIEFFS-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033071352 1266382372 /nfs/dbraw/zinc/38/23/72/1266382372.db2.gz ZJOFRFAYRIEFFS-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033071352 1266382382 /nfs/dbraw/zinc/38/23/82/1266382382.db2.gz ZJOFRFAYRIEFFS-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO O=C1C[C@]2(CN1CC1CCCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273031152 1266382777 /nfs/dbraw/zinc/38/27/77/1266382777.db2.gz SOOACWVCSPZFHY-FQEVSTJZSA-N 1 3 333.520 2.633 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032731245 1261092102 /nfs/dbraw/zinc/09/21/02/1261092102.db2.gz GKPKIJAZSXEYFT-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032731245 1261092106 /nfs/dbraw/zinc/09/21/06/1261092106.db2.gz GKPKIJAZSXEYFT-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)C1 ZINC001032731141 1261092262 /nfs/dbraw/zinc/09/22/62/1261092262.db2.gz ALSZEVYLWZOJKD-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)C1 ZINC001032731141 1261092267 /nfs/dbraw/zinc/09/22/67/1261092267.db2.gz ALSZEVYLWZOJKD-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC1CCCCC1 ZINC001272862728 1261187350 /nfs/dbraw/zinc/18/73/50/1261187350.db2.gz NHAWKMYHEKPAGN-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001272862728 1261187356 /nfs/dbraw/zinc/18/73/56/1261187356.db2.gz NHAWKMYHEKPAGN-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO O=C(Nc1cccc(F)c1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903726902 1261227226 /nfs/dbraw/zinc/22/72/26/1261227226.db2.gz ORFBNACUHAUZFL-OAHLLOKOSA-N 1 3 333.451 2.866 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@H](C)C1 ZINC000921747467 1261355087 /nfs/dbraw/zinc/35/50/87/1261355087.db2.gz OWEJXYBLUHBGES-VQIMIIECSA-N 1 3 332.488 2.848 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000923330770 1261468603 /nfs/dbraw/zinc/46/86/03/1261468603.db2.gz IKVIAZRNCROCRH-LZLYRXPVSA-N 1 3 334.504 2.701 20 0 EFADHO Cc1csc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C)n1 ZINC000923322744 1261474366 /nfs/dbraw/zinc/47/43/66/1261474366.db2.gz NHZKNDYQBJJYKC-XYTVBORESA-N 1 3 334.533 2.883 20 0 EFADHO C[C@@H](c1cccnc1)N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923327450 1261481677 /nfs/dbraw/zinc/48/16/77/1261481677.db2.gz PTOVNRBKXKSXMD-KOQQBVACSA-N 1 3 328.504 2.681 20 0 EFADHO CC1([NH3+])CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000923345073 1261529308 /nfs/dbraw/zinc/52/93/08/1261529308.db2.gz HXKGBZFSALJKFK-MRXNPFEDSA-N 1 3 337.467 2.969 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001006058524 1261544794 /nfs/dbraw/zinc/54/47/94/1261544794.db2.gz ALISUKDELLHCDO-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000923354729 1261549139 /nfs/dbraw/zinc/54/91/39/1261549139.db2.gz VPRUSWPZSYLDPM-LSDHHAIUSA-N 1 3 330.394 2.812 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923381462 1261580039 /nfs/dbraw/zinc/58/00/39/1261580039.db2.gz IUGOYSSYAUSGLF-MRVWCRGKSA-N 1 3 333.259 2.593 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]3CC2)c1 ZINC000946900051 1261633407 /nfs/dbraw/zinc/63/34/07/1261633407.db2.gz VYAZDZHLVWKKNL-KDURUIRLSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]3CC2)c1 ZINC000946900051 1261633411 /nfs/dbraw/zinc/63/34/11/1261633411.db2.gz VYAZDZHLVWKKNL-KDURUIRLSA-N 1 3 347.478 2.502 20 0 EFADHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420742 1261643343 /nfs/dbraw/zinc/64/33/43/1261643343.db2.gz KBGMDHXSEYNDSK-JSNMRZPZSA-N 1 3 337.467 2.871 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420742 1261643349 /nfs/dbraw/zinc/64/33/49/1261643349.db2.gz KBGMDHXSEYNDSK-JSNMRZPZSA-N 1 3 337.467 2.871 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946902780 1261692872 /nfs/dbraw/zinc/69/28/72/1261692872.db2.gz YVDIFOXTBLWMOL-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946902780 1261692883 /nfs/dbraw/zinc/69/28/83/1261692883.db2.gz YVDIFOXTBLWMOL-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1 ZINC000946904776 1261726050 /nfs/dbraw/zinc/72/60/50/1261726050.db2.gz PMWVKCJYFBFYKC-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2CC1 ZINC000946904776 1261726057 /nfs/dbraw/zinc/72/60/57/1261726057.db2.gz PMWVKCJYFBFYKC-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486861 1261743577 /nfs/dbraw/zinc/74/35/77/1261743577.db2.gz KXJKMYCPLGLUOZ-CVEARBPZSA-N 1 3 325.456 2.688 20 0 EFADHO [NH3+]CC[C@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000923488537 1261766710 /nfs/dbraw/zinc/76/67/10/1261766710.db2.gz BXEHLIWCIVUWSV-AWEZNQCLSA-N 1 3 328.435 2.671 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000923490073 1261770374 /nfs/dbraw/zinc/77/03/74/1261770374.db2.gz RFFPYSGZZKWAEY-VXGBXAGGSA-N 1 3 344.286 2.841 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000923493178 1261777875 /nfs/dbraw/zinc/77/78/75/1261777875.db2.gz RTIBDWGSLBDRFL-GOSISDBHSA-N 1 3 343.515 2.675 20 0 EFADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923494268 1261779594 /nfs/dbraw/zinc/77/95/94/1261779594.db2.gz VIRXNBOUVWFZJA-GFCCVEGCSA-N 1 3 344.286 2.623 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032801125 1261781574 /nfs/dbraw/zinc/78/15/74/1261781574.db2.gz LRBDWCNXPXVZMJ-OALUTQOASA-N 1 3 333.520 2.728 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504052 1261800736 /nfs/dbraw/zinc/80/07/36/1261800736.db2.gz SWQDRDONFUNHAR-YLJYHZDGSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923504639 1261801578 /nfs/dbraw/zinc/80/15/78/1261801578.db2.gz CMKDLGNJOFVZBM-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO Cn1cc(-c2cc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)on2)cn1 ZINC000923506373 1261806203 /nfs/dbraw/zinc/80/62/03/1261806203.db2.gz IGJGUGKQRABISE-OAHLLOKOSA-N 1 3 343.475 2.677 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)[NH+]1CCCC1 ZINC001032804164 1261825498 /nfs/dbraw/zinc/82/54/98/1261825498.db2.gz ZPHCOKUMCLTBPN-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1cc(Cl)ccc1Cl ZINC000923519382 1261826546 /nfs/dbraw/zinc/82/65/46/1261826546.db2.gz RIJPTWJLOXRHFG-NWDGAFQWSA-N 1 3 342.270 2.863 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCCC1 ZINC001032803799 1261847583 /nfs/dbraw/zinc/84/75/83/1261847583.db2.gz LXUUNGJTZJBUKJ-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000947980620 1261907302 /nfs/dbraw/zinc/90/73/02/1261907302.db2.gz QJRJDIYSYHRHND-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000947980620 1261907309 /nfs/dbraw/zinc/90/73/09/1261907309.db2.gz QJRJDIYSYHRHND-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO CC(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078627453 1262075482 /nfs/dbraw/zinc/07/54/82/1262075482.db2.gz YWHUGHKEXQTQTF-SJORKVTESA-N 1 3 335.536 2.924 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1nc2cc(C)ccc2s1 ZINC001168763032 1262075986 /nfs/dbraw/zinc/07/59/86/1262075986.db2.gz IUQMMVXKUOAJTK-UHFFFAOYSA-N 1 3 348.516 2.542 20 0 EFADHO Cc1ccsc1C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001272934183 1262341803 /nfs/dbraw/zinc/34/18/03/1262341803.db2.gz NPJMKAKYKXZWRZ-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001272933980 1262358983 /nfs/dbraw/zinc/35/89/83/1262358983.db2.gz LBGQMJHENYKREI-IBGZPJMESA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCN(C)C)C3=O)CC2)s1 ZINC001272933980 1262358990 /nfs/dbraw/zinc/35/89/90/1262358990.db2.gz LBGQMJHENYKREI-IBGZPJMESA-N 1 3 349.544 2.823 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001078794669 1262360652 /nfs/dbraw/zinc/36/06/52/1262360652.db2.gz JXFABSGXQRRDQD-IRXDYDNUSA-N 1 3 344.503 2.714 20 0 EFADHO CC(C)[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819045 1262362492 /nfs/dbraw/zinc/36/24/92/1262362492.db2.gz IADAVQADNOQIRW-MSOLQXFVSA-N 1 3 329.488 2.787 20 0 EFADHO CC(C)[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819784 1262363787 /nfs/dbraw/zinc/36/37/87/1262363787.db2.gz RKZHVLABUBBHHM-MSOLQXFVSA-N 1 3 329.488 2.787 20 0 EFADHO CCC[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818902 1262391543 /nfs/dbraw/zinc/39/15/43/1262391543.db2.gz FGKMDNKFUBAJQJ-QZTJIDSGSA-N 1 3 329.488 2.789 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@H]1C ZINC001486090658 1262613389 /nfs/dbraw/zinc/61/33/89/1262613389.db2.gz BTVPCDLJPURUGZ-CRAIPNDOSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001486092828 1262616747 /nfs/dbraw/zinc/61/67/47/1262616747.db2.gz RKIOXNANAPFCRV-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001033096983 1266527359 /nfs/dbraw/zinc/52/73/59/1266527359.db2.gz SJSORSZMUQEEKP-SLFFLAALSA-N 1 3 343.515 2.758 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001033096983 1266527363 /nfs/dbraw/zinc/52/73/63/1266527363.db2.gz SJSORSZMUQEEKP-SLFFLAALSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001486201909 1262786783 /nfs/dbraw/zinc/78/67/83/1262786783.db2.gz IGKHHODEZGSBFS-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(C)c1 ZINC000921858343 1262901907 /nfs/dbraw/zinc/90/19/07/1262901907.db2.gz DZCWRCBXZGLJSS-PMACEKPBSA-N 1 3 332.488 2.861 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2)C(C)(C)C)CCC1 ZINC001486398130 1262995543 /nfs/dbraw/zinc/99/55/43/1262995543.db2.gz CQLMGCYKVZZISS-QGZVFWFLSA-N 1 3 331.504 2.791 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)CCC1 ZINC001486399229 1262997697 /nfs/dbraw/zinc/99/76/97/1262997697.db2.gz QZXSBCLCQOEGEC-KRWDZBQOSA-N 1 3 349.494 2.931 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccc(F)cc2)C(C)(C)C)CCC1 ZINC001486399230 1262997894 /nfs/dbraw/zinc/99/78/94/1262997894.db2.gz QZXSBCLCQOEGEC-QGZVFWFLSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001486466036 1263181127 /nfs/dbraw/zinc/18/11/27/1263181127.db2.gz XWOAVCQFIBKFSQ-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C)C1 ZINC001082512097 1263195075 /nfs/dbraw/zinc/19/50/75/1263195075.db2.gz KTACESGLCDHBOO-GPQLOAJWSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082559720 1263221273 /nfs/dbraw/zinc/22/12/73/1263221273.db2.gz NMLSECYFZUZASC-ATZDWAIDSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001082557663 1263221506 /nfs/dbraw/zinc/22/15/06/1263221506.db2.gz XLWFVBVFCQDMSF-SOLBZPMBSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001082557595 1263221916 /nfs/dbraw/zinc/22/19/16/1263221916.db2.gz RITMXHDKVPRGRY-ZHALLVOQSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559949 1263221970 /nfs/dbraw/zinc/22/19/70/1263221970.db2.gz UHCKBCSQPDUNON-NSISKUIASA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1cccc(F)c1 ZINC001082557450 1263222342 /nfs/dbraw/zinc/22/23/42/1263222342.db2.gz FMSHAZRZEVOAFF-IIDMSEBBSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccccc1F ZINC001082561824 1263223572 /nfs/dbraw/zinc/22/35/72/1263223572.db2.gz UNDDITQMVNMAMS-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccc(F)cc1 ZINC001082561796 1263223852 /nfs/dbraw/zinc/22/38/52/1263223852.db2.gz QYDIMXDIBKIFSZ-ZRGWGRIASA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575284 1263228622 /nfs/dbraw/zinc/22/86/22/1263228622.db2.gz WGYUPMJEIRWQBX-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001082747540 1263291262 /nfs/dbraw/zinc/29/12/62/1263291262.db2.gz YYECQZKUVYZYTC-BNOWGMLFSA-N 1 3 343.924 2.678 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001082748425 1263295321 /nfs/dbraw/zinc/29/53/21/1263295321.db2.gz LATGXFQVFIFWKD-YSGRDPCXSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082742531 1263312883 /nfs/dbraw/zinc/31/28/83/1263312883.db2.gz JATMUSWCIQVTBS-YQVWRLOYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001082741759 1263313101 /nfs/dbraw/zinc/31/31/01/1263313101.db2.gz BCOWRMFQDZTZKW-XFQXTVEOSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001082742532 1263313817 /nfs/dbraw/zinc/31/38/17/1263313817.db2.gz JATMUSWCIQVTBS-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c(C)c1 ZINC001082742643 1263314677 /nfs/dbraw/zinc/31/46/77/1263314677.db2.gz NHDLCHDQXXKVFT-ILZDJORESA-N 1 3 343.515 2.582 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742218 1263314961 /nfs/dbraw/zinc/31/49/61/1263314961.db2.gz WDKYCFGMPDIJQZ-SQGPQFPESA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001082783129 1263337730 /nfs/dbraw/zinc/33/77/30/1263337730.db2.gz CDJGWTSAJCQTEQ-MISYRCLQSA-N 1 3 343.515 2.886 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082943681 1263424800 /nfs/dbraw/zinc/42/48/00/1263424800.db2.gz XADLAZLAJIEXOD-BHIYHBOVSA-N 1 3 347.547 2.878 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001082943261 1263424909 /nfs/dbraw/zinc/42/49/09/1263424909.db2.gz AWKRWOWNXJTNLR-ATZDWAIDSA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001082943264 1263425636 /nfs/dbraw/zinc/42/56/36/1263425636.db2.gz AWQPYGLPNOJUBS-ZTFGCOKTSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084338228 1263829653 /nfs/dbraw/zinc/82/96/53/1263829653.db2.gz KIMMQBXBGHWWRC-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084338228 1263829665 /nfs/dbraw/zinc/82/96/65/1263829665.db2.gz KIMMQBXBGHWWRC-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCCC3CCCCC3)C2)C1=O ZINC001273044126 1266626349 /nfs/dbraw/zinc/62/63/49/1266626349.db2.gz CNMZGSOFGKIFQH-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1=O ZINC001273044126 1266626358 /nfs/dbraw/zinc/62/63/58/1266626358.db2.gz CNMZGSOFGKIFQH-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084389051 1263902871 /nfs/dbraw/zinc/90/28/71/1263902871.db2.gz PYJLSTJWZMYFGH-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084389051 1263902875 /nfs/dbraw/zinc/90/28/75/1263902875.db2.gz PYJLSTJWZMYFGH-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084388697 1263903657 /nfs/dbraw/zinc/90/36/57/1263903657.db2.gz AWSBJXDTBBMNOW-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084388697 1263903663 /nfs/dbraw/zinc/90/36/63/1263903663.db2.gz AWSBJXDTBBMNOW-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCCC3CCCCC3)C2)C1=O ZINC001273044128 1266626586 /nfs/dbraw/zinc/62/65/86/1266626586.db2.gz CNMZGSOFGKIFQH-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1=O ZINC001273044128 1266626589 /nfs/dbraw/zinc/62/65/89/1266626589.db2.gz CNMZGSOFGKIFQH-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084545549 1264013902 /nfs/dbraw/zinc/01/39/02/1264013902.db2.gz OGVWMYZHACWALK-AQNXPRMDSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084545549 1264013907 /nfs/dbraw/zinc/01/39/07/1264013907.db2.gz OGVWMYZHACWALK-AQNXPRMDSA-N 1 3 345.531 2.584 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545516 1264015014 /nfs/dbraw/zinc/01/50/14/1264015014.db2.gz NHRLQTUMJRMZRR-GUDVDZBRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545516 1264015026 /nfs/dbraw/zinc/01/50/26/1264015026.db2.gz NHRLQTUMJRMZRR-GUDVDZBRSA-N 1 3 347.547 2.830 20 0 EFADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603713 1264068603 /nfs/dbraw/zinc/06/86/03/1264068603.db2.gz HHGYCNSQHXKOMN-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603713 1264068614 /nfs/dbraw/zinc/06/86/14/1264068614.db2.gz HHGYCNSQHXKOMN-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603714 1264069353 /nfs/dbraw/zinc/06/93/53/1264069353.db2.gz HHGYCNSQHXKOMN-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603714 1264069357 /nfs/dbraw/zinc/06/93/57/1264069357.db2.gz HHGYCNSQHXKOMN-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001002792479 1264081990 /nfs/dbraw/zinc/08/19/90/1264081990.db2.gz OYGPRBIPCWNSKV-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(C/C=C\c3ccccc3)CC2)CC[N@@H+]1C ZINC001002851928 1264180230 /nfs/dbraw/zinc/18/02/30/1264180230.db2.gz LXUAHYXQVUSBPF-UPVPCIMBSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(C/C=C\c3ccccc3)CC2)CC[N@H+]1C ZINC001002851928 1264180234 /nfs/dbraw/zinc/18/02/34/1264180234.db2.gz LXUAHYXQVUSBPF-UPVPCIMBSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001084701037 1264246137 /nfs/dbraw/zinc/24/61/37/1264246137.db2.gz LKHOHWNMJBELSO-MISYRCLQSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC001084701037 1264246141 /nfs/dbraw/zinc/24/61/41/1264246141.db2.gz LKHOHWNMJBELSO-MISYRCLQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001272968529 1264333860 /nfs/dbraw/zinc/33/38/60/1264333860.db2.gz CFEBQPPXRGTGMM-OAQYLSRUSA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21)c1c[nH]cn1 ZINC001084776092 1264375881 /nfs/dbraw/zinc/37/58/81/1264375881.db2.gz IFCVBCAYXFJFFF-HZPDHXFCSA-N 1 3 344.503 2.656 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21)c1c[nH]cn1 ZINC001084776092 1264375888 /nfs/dbraw/zinc/37/58/88/1264375888.db2.gz IFCVBCAYXFJFFF-HZPDHXFCSA-N 1 3 344.503 2.656 20 0 EFADHO CCc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972366 1264469894 /nfs/dbraw/zinc/46/98/94/1264469894.db2.gz SIAAPUKTIVTGMB-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972366 1264469899 /nfs/dbraw/zinc/46/98/99/1264469899.db2.gz SIAAPUKTIVTGMB-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852180 1264532686 /nfs/dbraw/zinc/53/26/86/1264532686.db2.gz LDIQHFMSWITKRE-YVWKXTFCSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852180 1264532690 /nfs/dbraw/zinc/53/26/90/1264532690.db2.gz LDIQHFMSWITKRE-YVWKXTFCSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084850357 1264536391 /nfs/dbraw/zinc/53/63/91/1264536391.db2.gz YEJHYNIOZOKMAG-WOJBJXKFSA-N 1 3 341.499 2.861 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084850367 1264537016 /nfs/dbraw/zinc/53/70/16/1264537016.db2.gz YWRHPJKTIJWCOK-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001410307381 1264719593 /nfs/dbraw/zinc/71/95/93/1264719593.db2.gz IGWVPQPTWMBDDU-SFHVURJKSA-N 1 3 346.519 2.995 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001084953504 1264754623 /nfs/dbraw/zinc/75/46/23/1264754623.db2.gz QSHYGRATZIYGDE-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)C)[C@H]2C1 ZINC001084953504 1264754628 /nfs/dbraw/zinc/75/46/28/1264754628.db2.gz QSHYGRATZIYGDE-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001004371433 1266795281 /nfs/dbraw/zinc/79/52/81/1266795281.db2.gz OMRVUOMGHLNDQC-MWXKITEQSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001004371433 1266795287 /nfs/dbraw/zinc/79/52/87/1266795287.db2.gz OMRVUOMGHLNDQC-MWXKITEQSA-N 1 3 339.911 2.536 20 0 EFADHO CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001272993608 1264901649 /nfs/dbraw/zinc/90/16/49/1264901649.db2.gz PGSHUQCQIVRXTE-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001003626904 1264978606 /nfs/dbraw/zinc/97/86/06/1264978606.db2.gz XFGPVIQNXQCGIL-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001003623452 1264981614 /nfs/dbraw/zinc/98/16/14/1264981614.db2.gz FZDPUAHRIIOYAT-INIZCTEOSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003625439 1264985946 /nfs/dbraw/zinc/98/59/46/1264985946.db2.gz GDOFUQQWQIJMRK-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001003626892 1264989549 /nfs/dbraw/zinc/98/95/49/1264989549.db2.gz WVHXJHUCTRPOFF-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c(C)s1 ZINC001003627117 1264994269 /nfs/dbraw/zinc/99/42/69/1264994269.db2.gz CJCSULZNWLQSLN-CQSZACIVSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001003627577 1264995606 /nfs/dbraw/zinc/99/56/06/1264995606.db2.gz GQSQTFWUWFHIPR-KRWDZBQOSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001003632410 1265001138 /nfs/dbraw/zinc/00/11/38/1265001138.db2.gz ZRBWDIPMOFPLFR-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001410396141 1265002451 /nfs/dbraw/zinc/00/24/51/1265002451.db2.gz YOHQSGGCFABCGM-HNNXBMFYSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049496 1265028219 /nfs/dbraw/zinc/02/82/19/1265028219.db2.gz FFKWOXJPRPNBET-QRQLOZEOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049496 1265028224 /nfs/dbraw/zinc/02/82/24/1265028224.db2.gz FFKWOXJPRPNBET-QRQLOZEOSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049747 1265030107 /nfs/dbraw/zinc/03/01/07/1265030107.db2.gz WJHBNXHZWIHNPA-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049747 1265030114 /nfs/dbraw/zinc/03/01/14/1265030114.db2.gz WJHBNXHZWIHNPA-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001085072723 1265076180 /nfs/dbraw/zinc/07/61/80/1265076180.db2.gz QMRNSBBGXWLONE-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC)[C@H]2C1 ZINC001085072723 1265076187 /nfs/dbraw/zinc/07/61/87/1265076187.db2.gz QMRNSBBGXWLONE-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003740467 1265116844 /nfs/dbraw/zinc/11/68/44/1265116844.db2.gz KUFCHNPIKHRTHB-NVXWUHKLSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001003742569 1265124295 /nfs/dbraw/zinc/12/42/95/1265124295.db2.gz XVSBPJIFIYFPNN-TVPLGVNVSA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101623 1265146803 /nfs/dbraw/zinc/14/68/03/1265146803.db2.gz VMSVOCIWQOELKV-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101623 1265146810 /nfs/dbraw/zinc/14/68/10/1265146810.db2.gz VMSVOCIWQOELKV-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001410439326 1265321061 /nfs/dbraw/zinc/32/10/61/1265321061.db2.gz QYMVFKRECLUDBQ-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001033076771 1266432057 /nfs/dbraw/zinc/43/20/57/1266432057.db2.gz OUIFIPWOWBBPTQ-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001033076771 1266432061 /nfs/dbraw/zinc/43/20/61/1266432061.db2.gz OUIFIPWOWBBPTQ-ABHNRTSZSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001033096130 1266523086 /nfs/dbraw/zinc/52/30/86/1266523086.db2.gz JGYSQNLPZVCFTJ-HSALFYBXSA-N 1 3 343.515 2.758 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001033096130 1266523094 /nfs/dbraw/zinc/52/30/94/1266523094.db2.gz JGYSQNLPZVCFTJ-HSALFYBXSA-N 1 3 343.515 2.758 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001004371417 1266793625 /nfs/dbraw/zinc/79/36/25/1266793625.db2.gz OMRVUOMGHLNDQC-JNZXNGNHSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001004371417 1266793631 /nfs/dbraw/zinc/79/36/31/1266793631.db2.gz OMRVUOMGHLNDQC-JNZXNGNHSA-N 1 3 339.911 2.536 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454938 1267080930 /nfs/dbraw/zinc/08/09/30/1267080930.db2.gz AZPRPEPXHASCMB-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454938 1267080933 /nfs/dbraw/zinc/08/09/33/1267080933.db2.gz AZPRPEPXHASCMB-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457258 1267087506 /nfs/dbraw/zinc/08/75/06/1267087506.db2.gz JCPXITDYXNIPJT-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457258 1267087517 /nfs/dbraw/zinc/08/75/17/1267087517.db2.gz JCPXITDYXNIPJT-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457254 1267088298 /nfs/dbraw/zinc/08/82/98/1267088298.db2.gz JCPXITDYXNIPJT-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004457254 1267088309 /nfs/dbraw/zinc/08/83/09/1267088309.db2.gz JCPXITDYXNIPJT-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458655 1267091976 /nfs/dbraw/zinc/09/19/76/1267091976.db2.gz PYBJESFJWVIZQD-VQTJNVASSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458655 1267091985 /nfs/dbraw/zinc/09/19/85/1267091985.db2.gz PYBJESFJWVIZQD-VQTJNVASSA-N 1 3 347.547 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033125742 1267139612 /nfs/dbraw/zinc/13/96/12/1267139612.db2.gz HQGMBFWKIMUZDB-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033125742 1267139616 /nfs/dbraw/zinc/13/96/16/1267139616.db2.gz HQGMBFWKIMUZDB-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033127843 1267154756 /nfs/dbraw/zinc/15/47/56/1267154756.db2.gz XKATXEQYPLEZAF-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033127843 1267154760 /nfs/dbraw/zinc/15/47/60/1267154760.db2.gz XKATXEQYPLEZAF-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033126192 1267168270 /nfs/dbraw/zinc/16/82/70/1267168270.db2.gz LCOMDYJKAGHJNY-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033126192 1267168272 /nfs/dbraw/zinc/16/82/72/1267168272.db2.gz LCOMDYJKAGHJNY-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033126408 1267170463 /nfs/dbraw/zinc/17/04/63/1267170463.db2.gz MRXMFWQBYSWMGC-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033126408 1267170470 /nfs/dbraw/zinc/17/04/70/1267170470.db2.gz MRXMFWQBYSWMGC-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623562 1267215935 /nfs/dbraw/zinc/21/59/35/1267215935.db2.gz MJNNKMKUBFPLAX-GDAAHCPNSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623562 1267215945 /nfs/dbraw/zinc/21/59/45/1267215945.db2.gz MJNNKMKUBFPLAX-GDAAHCPNSA-N 1 3 335.536 2.543 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004543979 1267262684 /nfs/dbraw/zinc/26/26/84/1267262684.db2.gz RGRRJIWWNKKFGC-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004543979 1267262696 /nfs/dbraw/zinc/26/26/96/1267262696.db2.gz RGRRJIWWNKKFGC-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545450 1267266033 /nfs/dbraw/zinc/26/60/33/1267266033.db2.gz CKMZGBVWRIALOZ-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004545450 1267266041 /nfs/dbraw/zinc/26/60/41/1267266041.db2.gz CKMZGBVWRIALOZ-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549256 1267274879 /nfs/dbraw/zinc/27/48/79/1267274879.db2.gz WMMKYCGCQSDERN-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549256 1267274893 /nfs/dbraw/zinc/27/48/93/1267274893.db2.gz WMMKYCGCQSDERN-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)C1 ZINC001085393542 1267369265 /nfs/dbraw/zinc/36/92/65/1267369265.db2.gz BOJNNAQJGVOENU-KFKAGJAMSA-N 1 3 347.478 2.685 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)C1 ZINC001085393542 1267369275 /nfs/dbraw/zinc/36/92/75/1267369275.db2.gz BOJNNAQJGVOENU-KFKAGJAMSA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633355 1267388239 /nfs/dbraw/zinc/38/82/39/1267388239.db2.gz UCFOOOYXMWIEEH-OKYOBFRVSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633355 1267388250 /nfs/dbraw/zinc/38/82/50/1267388250.db2.gz UCFOOOYXMWIEEH-OKYOBFRVSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC001085406655 1267404515 /nfs/dbraw/zinc/40/45/15/1267404515.db2.gz QLXWXLSNMLQQBR-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCC1CCCC1 ZINC001273101006 1267668543 /nfs/dbraw/zinc/66/85/43/1267668543.db2.gz LECPIYQGVJYATB-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001273101006 1267668548 /nfs/dbraw/zinc/66/85/48/1267668548.db2.gz LECPIYQGVJYATB-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)C1CCN(Cc2ccccc2)CC1 ZINC001649120144 1267671143 /nfs/dbraw/zinc/67/11/43/1267671143.db2.gz ZQDXDOSPJCVCFT-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)C1CCN(Cc2ccccc2)CC1 ZINC001649120142 1267671848 /nfs/dbraw/zinc/67/18/48/1267671848.db2.gz ZQDXDOSPJCVCFT-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccccc1C(C)C ZINC001128540262 1267734063 /nfs/dbraw/zinc/73/40/63/1267734063.db2.gz SZLAPVSWPYKVDG-GOSISDBHSA-N 1 3 337.483 2.696 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001128551996 1267895079 /nfs/dbraw/zinc/89/50/79/1267895079.db2.gz IOURYQWWXSPZPZ-BBRMVZONSA-N 1 3 343.874 2.787 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085593502 1267939479 /nfs/dbraw/zinc/93/94/79/1267939479.db2.gz KTZPAFKEFVYLAL-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085593502 1267939483 /nfs/dbraw/zinc/93/94/83/1267939483.db2.gz KTZPAFKEFVYLAL-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085593503 1267940228 /nfs/dbraw/zinc/94/02/28/1267940228.db2.gz KTZPAFKEFVYLAL-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085593503 1267940230 /nfs/dbraw/zinc/94/02/30/1267940230.db2.gz KTZPAFKEFVYLAL-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085594565 1267943028 /nfs/dbraw/zinc/94/30/28/1267943028.db2.gz JTBDPJOTOINUQN-RTBURBONSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085594565 1267943034 /nfs/dbraw/zinc/94/30/34/1267943034.db2.gz JTBDPJOTOINUQN-RTBURBONSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085589312 1267950602 /nfs/dbraw/zinc/95/06/02/1267950602.db2.gz JDOWNWZANRFXPA-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085589312 1267950609 /nfs/dbraw/zinc/95/06/09/1267950609.db2.gz JDOWNWZANRFXPA-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598532 1267961708 /nfs/dbraw/zinc/96/17/08/1267961708.db2.gz VPUHIDOWCFWHGM-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2cccs2)CC[N@@H+]1C ZINC001085606047 1267972315 /nfs/dbraw/zinc/97/23/15/1267972315.db2.gz BUCQVJPBDDGMPQ-RYQLBKOJSA-N 1 3 349.544 2.554 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CCN2CCc2cccs2)CC[N@H+]1C ZINC001085606047 1267972320 /nfs/dbraw/zinc/97/23/20/1267972320.db2.gz BUCQVJPBDDGMPQ-RYQLBKOJSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C[C@@H]1CCN1CC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639675 1268093862 /nfs/dbraw/zinc/09/38/62/1268093862.db2.gz UFVMINAFETUNME-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CC1CCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639675 1268093874 /nfs/dbraw/zinc/09/38/74/1268093874.db2.gz UFVMINAFETUNME-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942987 1268199579 /nfs/dbraw/zinc/19/95/79/1268199579.db2.gz CIDDEZKVRHRVAZ-YJBOKZPZSA-N 1 3 332.492 2.892 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004943993 1268202567 /nfs/dbraw/zinc/20/25/67/1268202567.db2.gz FVAIBITXLSPURM-LPHOPBHVSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004957747 1268249490 /nfs/dbraw/zinc/24/94/90/1268249490.db2.gz UYQVYKFEXMFUSA-MAUKXSAKSA-N 1 3 344.503 2.892 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033224042 1268292004 /nfs/dbraw/zinc/29/20/04/1268292004.db2.gz YROSQPOCLBHWAX-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033224042 1268292013 /nfs/dbraw/zinc/29/20/13/1268292013.db2.gz YROSQPOCLBHWAX-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776615 1268481964 /nfs/dbraw/zinc/48/19/64/1268481964.db2.gz PWCQUPNKYHRMBY-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776615 1268481967 /nfs/dbraw/zinc/48/19/67/1268481967.db2.gz PWCQUPNKYHRMBY-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085780026 1268495527 /nfs/dbraw/zinc/49/55/27/1268495527.db2.gz JKGNNAURZIYQHU-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085780026 1268495532 /nfs/dbraw/zinc/49/55/32/1268495532.db2.gz JKGNNAURZIYQHU-RBUKOAKNSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782313 1268504277 /nfs/dbraw/zinc/50/42/77/1268504277.db2.gz RLKRUAGRNFYBOO-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782313 1268504282 /nfs/dbraw/zinc/50/42/82/1268504282.db2.gz RLKRUAGRNFYBOO-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085784618 1268521151 /nfs/dbraw/zinc/52/11/51/1268521151.db2.gz YGPUHBQXPNYTRX-WDSOQIARSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085784618 1268521155 /nfs/dbraw/zinc/52/11/55/1268521155.db2.gz YGPUHBQXPNYTRX-WDSOQIARSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799549 1268595859 /nfs/dbraw/zinc/59/58/59/1268595859.db2.gz TWCSIWUSKVJLDA-HXUWFJFHSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799462 1268596661 /nfs/dbraw/zinc/59/66/61/1268596661.db2.gz RLWDUQNJVHYAHX-XLIONFOSSA-N 1 3 343.515 2.931 20 0 EFADHO CC1=C[C@H](C)[C@H](CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001273126337 1268635375 /nfs/dbraw/zinc/63/53/75/1268635375.db2.gz VCNANFBWWWVFIF-IRFCIJBXSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033295946 1268679980 /nfs/dbraw/zinc/67/99/80/1268679980.db2.gz OXBLQIRTICJFBI-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033295946 1268679994 /nfs/dbraw/zinc/67/99/94/1268679994.db2.gz OXBLQIRTICJFBI-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CC[C@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273127977 1268684170 /nfs/dbraw/zinc/68/41/70/1268684170.db2.gz MRJCPIXONNORKY-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CC[C@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273127977 1268684176 /nfs/dbraw/zinc/68/41/76/1268684176.db2.gz MRJCPIXONNORKY-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033295472 1268691819 /nfs/dbraw/zinc/69/18/19/1268691819.db2.gz LECKXFKDDHNJHU-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033295472 1268691827 /nfs/dbraw/zinc/69/18/27/1268691827.db2.gz LECKXFKDDHNJHU-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033295181 1268692334 /nfs/dbraw/zinc/69/23/34/1268692334.db2.gz IUNHTKPHRQFQNA-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033295181 1268692338 /nfs/dbraw/zinc/69/23/38/1268692338.db2.gz IUNHTKPHRQFQNA-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO COc1ncc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1C ZINC001137000385 1278439336 /nfs/dbraw/zinc/43/93/36/1278439336.db2.gz UDPMHATXZFGCHF-UHFFFAOYSA-N 1 3 347.503 2.723 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414522 1269080452 /nfs/dbraw/zinc/08/04/52/1269080452.db2.gz CIGLSKPUAWVEHP-APWZRJJASA-N 1 3 339.499 2.698 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414522 1269080460 /nfs/dbraw/zinc/08/04/60/1269080460.db2.gz CIGLSKPUAWVEHP-APWZRJJASA-N 1 3 339.499 2.698 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085918504 1269081872 /nfs/dbraw/zinc/08/18/72/1269081872.db2.gz FJTDIBTYXURLFH-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085918504 1269081878 /nfs/dbraw/zinc/08/18/78/1269081878.db2.gz FJTDIBTYXURLFH-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085918504 1269081884 /nfs/dbraw/zinc/08/18/84/1269081884.db2.gz FJTDIBTYXURLFH-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085918504 1269081890 /nfs/dbraw/zinc/08/18/90/1269081890.db2.gz FJTDIBTYXURLFH-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033415647 1269082627 /nfs/dbraw/zinc/08/26/27/1269082627.db2.gz JVIQKBBNDUKJSW-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033415647 1269082636 /nfs/dbraw/zinc/08/26/36/1269082636.db2.gz JVIQKBBNDUKJSW-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085919322 1269103905 /nfs/dbraw/zinc/10/39/05/1269103905.db2.gz YUQLJKRLVSJEDU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085919322 1269103894 /nfs/dbraw/zinc/10/38/94/1269103894.db2.gz YUQLJKRLVSJEDU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085919322 1269103899 /nfs/dbraw/zinc/10/38/99/1269103899.db2.gz YUQLJKRLVSJEDU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085919322 1269103910 /nfs/dbraw/zinc/10/39/10/1269103910.db2.gz YUQLJKRLVSJEDU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cc(OC)ccc2OC)C[C@H]1C ZINC000740884262 1269152094 /nfs/dbraw/zinc/15/20/94/1269152094.db2.gz SSLXRXIYXXWTGK-RVKKMQEKSA-N 1 3 336.476 2.542 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cc(OC)ccc2OC)C[C@H]1C ZINC000740884262 1269152097 /nfs/dbraw/zinc/15/20/97/1269152097.db2.gz SSLXRXIYXXWTGK-RVKKMQEKSA-N 1 3 336.476 2.542 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001005177917 1269337071 /nfs/dbraw/zinc/33/70/71/1269337071.db2.gz FXYYFMOEOWJISX-LJQANCHMSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001005181058 1269341197 /nfs/dbraw/zinc/34/11/97/1269341197.db2.gz VHBVYXILQMGTDM-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005181811 1269344340 /nfs/dbraw/zinc/34/43/40/1269344340.db2.gz ZVOTYXRIEKIZOQ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085986418 1269396179 /nfs/dbraw/zinc/39/61/79/1269396179.db2.gz DJPCNPIAJGRCRE-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085986418 1269396194 /nfs/dbraw/zinc/39/61/94/1269396194.db2.gz DJPCNPIAJGRCRE-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085986417 1269397008 /nfs/dbraw/zinc/39/70/08/1269397008.db2.gz DJPCNPIAJGRCRE-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085986417 1269397019 /nfs/dbraw/zinc/39/70/19/1269397019.db2.gz DJPCNPIAJGRCRE-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001085986480 1269397322 /nfs/dbraw/zinc/39/73/22/1269397322.db2.gz FKOQHMWGIVBLAE-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]2CN(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001085986480 1269397331 /nfs/dbraw/zinc/39/73/31/1269397331.db2.gz FKOQHMWGIVBLAE-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085986810 1269398824 /nfs/dbraw/zinc/39/88/24/1269398824.db2.gz NKQAXJWXZXIKPF-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085986810 1269398835 /nfs/dbraw/zinc/39/88/35/1269398835.db2.gz NKQAXJWXZXIKPF-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033591048 1269512279 /nfs/dbraw/zinc/51/22/79/1269512279.db2.gz SMMPCFLJMFGCQP-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033591048 1269512283 /nfs/dbraw/zinc/51/22/83/1269512283.db2.gz SMMPCFLJMFGCQP-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cc(C)sc1C ZINC001493015273 1269546762 /nfs/dbraw/zinc/54/67/62/1269546762.db2.gz UAZHCTZNAVNQRO-QGZVFWFLSA-N 1 3 339.549 2.889 20 0 EFADHO CC/C=C\CCCCC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273133704 1269669594 /nfs/dbraw/zinc/66/95/94/1269669594.db2.gz FIEBNPCJXBGEGX-KKHYBRAUSA-N 1 3 335.536 2.999 20 0 EFADHO CC/C=C\CCCCC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001273133704 1269669595 /nfs/dbraw/zinc/66/95/95/1269669595.db2.gz FIEBNPCJXBGEGX-KKHYBRAUSA-N 1 3 335.536 2.999 20 0 EFADHO CCCc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033663771 1269725580 /nfs/dbraw/zinc/72/55/80/1269725580.db2.gz YWRIHJWRMZQBDR-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCCc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033663771 1269725586 /nfs/dbraw/zinc/72/55/86/1269725586.db2.gz YWRIHJWRMZQBDR-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681633 1269785744 /nfs/dbraw/zinc/78/57/44/1269785744.db2.gz VQMGSRRTGCIWIA-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681633 1269785750 /nfs/dbraw/zinc/78/57/50/1269785750.db2.gz VQMGSRRTGCIWIA-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682148 1269785829 /nfs/dbraw/zinc/78/58/29/1269785829.db2.gz AIGFIARHOPUCJV-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682148 1269785839 /nfs/dbraw/zinc/78/58/39/1269785839.db2.gz AIGFIARHOPUCJV-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001033686059 1269799489 /nfs/dbraw/zinc/79/94/89/1269799489.db2.gz ZERKXFLIYNIJSU-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001033686059 1269799497 /nfs/dbraw/zinc/79/94/97/1269799497.db2.gz ZERKXFLIYNIJSU-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086084991 1269858476 /nfs/dbraw/zinc/85/84/76/1269858476.db2.gz NEYLWSLLLPZERU-YZGWKJHDSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086084838 1269859248 /nfs/dbraw/zinc/85/92/48/1269859248.db2.gz INSODFWZZIRIEQ-CEXWTWQISA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086085055 1269859504 /nfs/dbraw/zinc/85/95/04/1269859504.db2.gz QCJHPDGNAYLWIP-JQHSSLGASA-N 1 3 335.536 2.780 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001086090900 1269914582 /nfs/dbraw/zinc/91/45/82/1269914582.db2.gz XDLMEQRWRRJYPT-TXCZRRACSA-N 1 3 349.906 2.665 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001086090900 1269914588 /nfs/dbraw/zinc/91/45/88/1269914588.db2.gz XDLMEQRWRRJYPT-TXCZRRACSA-N 1 3 349.906 2.665 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001086102380 1269972236 /nfs/dbraw/zinc/97/22/36/1269972236.db2.gz UDEKGMAOQAEFEO-SXLOBPIMSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086101962 1269972752 /nfs/dbraw/zinc/97/27/52/1269972752.db2.gz CMWNMPPPRIIZCD-OTWHNJEPSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086102027 1269973290 /nfs/dbraw/zinc/97/32/90/1269973290.db2.gz GEWHZZIWDNUYTB-BPQIPLTHSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086102516 1269974681 /nfs/dbraw/zinc/97/46/81/1269974681.db2.gz ZVIKWDFCVVUEIO-JQHSSLGASA-N 1 3 335.536 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H]1C ZINC001410874088 1269986867 /nfs/dbraw/zinc/98/68/67/1269986867.db2.gz WEOOEWOQXVOFOR-MAUKXSAKSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)[C@H]1C ZINC001410877535 1270028360 /nfs/dbraw/zinc/02/83/60/1270028360.db2.gz ZBDDLNUCHAQDMF-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001033838386 1270322783 /nfs/dbraw/zinc/32/27/83/1270322783.db2.gz NRRSWBQBGWVGJT-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001033838386 1270322792 /nfs/dbraw/zinc/32/27/92/1270322792.db2.gz NRRSWBQBGWVGJT-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033827597 1270335715 /nfs/dbraw/zinc/33/57/15/1270335715.db2.gz GRGLNYNEZZANKC-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033827597 1270335724 /nfs/dbraw/zinc/33/57/24/1270335724.db2.gz GRGLNYNEZZANKC-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001005396575 1270384580 /nfs/dbraw/zinc/38/45/80/1270384580.db2.gz NWQNEIFOROZSIN-MRXNPFEDSA-N 1 3 341.515 2.922 20 0 EFADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCN(Cc2ccsc2)CC1 ZINC001005397331 1270385709 /nfs/dbraw/zinc/38/57/09/1270385709.db2.gz JGTMTNRQWFTJNH-SFHVURJKSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCN(Cc2ccsc2)CC1 ZINC001005397330 1270386320 /nfs/dbraw/zinc/38/63/20/1270386320.db2.gz JGTMTNRQWFTJNH-GOSISDBHSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198229 1270433463 /nfs/dbraw/zinc/43/34/63/1270433463.db2.gz NSHOPFDJACKMPX-TXCZRRACSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198229 1270433467 /nfs/dbraw/zinc/43/34/67/1270433467.db2.gz NSHOPFDJACKMPX-TXCZRRACSA-N 1 3 349.906 2.522 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001005416711 1270435546 /nfs/dbraw/zinc/43/55/46/1270435546.db2.gz XYAIJNDJDLDCTP-ZWKOTPCHSA-N 1 3 349.544 2.901 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001005416711 1270435553 /nfs/dbraw/zinc/43/55/53/1270435553.db2.gz XYAIJNDJDLDCTP-ZWKOTPCHSA-N 1 3 349.544 2.901 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001128773583 1270519914 /nfs/dbraw/zinc/51/99/14/1270519914.db2.gz BYAVHKSSXDITNE-QGZVFWFLSA-N 1 3 329.444 2.513 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001128773583 1270519921 /nfs/dbraw/zinc/51/99/21/1270519921.db2.gz BYAVHKSSXDITNE-QGZVFWFLSA-N 1 3 329.444 2.513 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932160 1270617147 /nfs/dbraw/zinc/61/71/47/1270617147.db2.gz IPHRIQCXIAQBMV-MOPGFXCFSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932160 1270617156 /nfs/dbraw/zinc/61/71/56/1270617156.db2.gz IPHRIQCXIAQBMV-MOPGFXCFSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1c(C)cccc1Cl ZINC001128786197 1270681763 /nfs/dbraw/zinc/68/17/63/1270681763.db2.gz SPHASAXWEOHXHW-KRWDZBQOSA-N 1 3 337.895 2.729 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1c(C)cccc1Cl ZINC001128786197 1270681774 /nfs/dbraw/zinc/68/17/74/1270681774.db2.gz SPHASAXWEOHXHW-KRWDZBQOSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086270458 1270779265 /nfs/dbraw/zinc/77/92/65/1270779265.db2.gz GKDDJKZHJIJHRX-YHUYYLMFSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086270458 1270779270 /nfs/dbraw/zinc/77/92/70/1270779270.db2.gz GKDDJKZHJIJHRX-YHUYYLMFSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086270455 1270779361 /nfs/dbraw/zinc/77/93/61/1270779361.db2.gz GKDDJKZHJIJHRX-CAOSSQGBSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086270455 1270779366 /nfs/dbraw/zinc/77/93/66/1270779366.db2.gz GKDDJKZHJIJHRX-CAOSSQGBSA-N 1 3 349.906 2.837 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001034042135 1270948341 /nfs/dbraw/zinc/94/83/41/1270948341.db2.gz LMRIEFJXNJJSQO-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034042135 1270948347 /nfs/dbraw/zinc/94/83/47/1270948347.db2.gz LMRIEFJXNJJSQO-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001034047078 1270958130 /nfs/dbraw/zinc/95/81/30/1270958130.db2.gz YEDIOIDSGCTNKC-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001034047078 1270958133 /nfs/dbraw/zinc/95/81/33/1270958133.db2.gz YEDIOIDSGCTNKC-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001086364948 1271168664 /nfs/dbraw/zinc/16/86/64/1271168664.db2.gz ZBNWTVVNRNTFGG-BQFCYCMXSA-N 1 3 349.544 2.648 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034133383 1271185385 /nfs/dbraw/zinc/18/53/85/1271185385.db2.gz YUCVWPCRBIZZHD-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034133383 1271185390 /nfs/dbraw/zinc/18/53/90/1271185390.db2.gz YUCVWPCRBIZZHD-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1F ZINC001034133258 1271185502 /nfs/dbraw/zinc/18/55/02/1271185502.db2.gz XGXBCIYYPMTEAG-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC001034133258 1271185505 /nfs/dbraw/zinc/18/55/05/1271185505.db2.gz XGXBCIYYPMTEAG-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001086381997 1271225065 /nfs/dbraw/zinc/22/50/65/1271225065.db2.gz OQCUMVOQILXMSZ-UFYCRDLUSA-N 1 3 343.515 2.588 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086381886 1271225301 /nfs/dbraw/zinc/22/53/01/1271225301.db2.gz MCWGSXPCBINFAY-GUDVDZBRSA-N 1 3 329.488 2.545 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086382416 1271225770 /nfs/dbraw/zinc/22/57/70/1271225770.db2.gz GEWHZZIWDNUYTB-KBAYOESNSA-N 1 3 349.544 2.915 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001411123474 1271371178 /nfs/dbraw/zinc/37/11/78/1271371178.db2.gz XUDDZHOTYYAHES-QFBILLFUSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001411123474 1271371192 /nfs/dbraw/zinc/37/11/92/1271371192.db2.gz XUDDZHOTYYAHES-QFBILLFUSA-N 1 3 349.494 2.679 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC001034273200 1271523038 /nfs/dbraw/zinc/52/30/38/1271523038.db2.gz ZZMKNMFZWFGNHP-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001034273200 1271523043 /nfs/dbraw/zinc/52/30/43/1271523043.db2.gz ZZMKNMFZWFGNHP-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001034273200 1271523055 /nfs/dbraw/zinc/52/30/55/1271523055.db2.gz ZZMKNMFZWFGNHP-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478337 1271697454 /nfs/dbraw/zinc/69/74/54/1271697454.db2.gz NSHOPFDJACKMPX-MUIFIZLQSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478337 1271697463 /nfs/dbraw/zinc/69/74/63/1271697463.db2.gz NSHOPFDJACKMPX-MUIFIZLQSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341044 1271703773 /nfs/dbraw/zinc/70/37/73/1271703773.db2.gz ZBRZUDNQTYFVCZ-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341044 1271703778 /nfs/dbraw/zinc/70/37/78/1271703778.db2.gz ZBRZUDNQTYFVCZ-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001168754707 1271766769 /nfs/dbraw/zinc/76/67/69/1271766769.db2.gz ACSBVSYIPNHTAA-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001034378951 1271804216 /nfs/dbraw/zinc/80/42/16/1271804216.db2.gz YQMVXGGPMGJGLG-SFHVURJKSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086497686 1271868699 /nfs/dbraw/zinc/86/86/99/1271868699.db2.gz WXDYOZCXZAJLAX-CPLYBDICSA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)C1 ZINC001034395680 1271883029 /nfs/dbraw/zinc/88/30/29/1271883029.db2.gz BODCXHJIFVOXRD-CRAIPNDOSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034395680 1271883040 /nfs/dbraw/zinc/88/30/40/1271883040.db2.gz BODCXHJIFVOXRD-CRAIPNDOSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)N(C)C ZINC001411209311 1271966102 /nfs/dbraw/zinc/96/61/02/1271966102.db2.gz VNPAPFRXVAOGAN-CABCVRRESA-N 1 3 347.494 2.738 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034480894 1272087619 /nfs/dbraw/zinc/08/76/19/1272087619.db2.gz OCYINOUPUQARNO-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034480894 1272087632 /nfs/dbraw/zinc/08/76/32/1272087632.db2.gz OCYINOUPUQARNO-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525852 1272194211 /nfs/dbraw/zinc/19/42/11/1272194211.db2.gz QOAYKLGDWHGIPV-HKUYNNGSSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525852 1272194214 /nfs/dbraw/zinc/19/42/14/1272194214.db2.gz QOAYKLGDWHGIPV-HKUYNNGSSA-N 1 3 347.478 2.557 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773221 1272207170 /nfs/dbraw/zinc/20/71/70/1272207170.db2.gz SBYBNAKQPCOLIZ-PXNSSMCTSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773221 1272207174 /nfs/dbraw/zinc/20/71/74/1272207174.db2.gz SBYBNAKQPCOLIZ-PXNSSMCTSA-N 1 3 328.431 2.971 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034642747 1272432729 /nfs/dbraw/zinc/43/27/29/1272432729.db2.gz KPNPESNCNUVOHM-CPLYBDICSA-N 1 3 335.536 2.922 20 0 EFADHO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001169084192 1272661179 /nfs/dbraw/zinc/66/11/79/1272661179.db2.gz HLEHJQUVHAKXDA-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)C[C@H](Cc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001169084192 1272661193 /nfs/dbraw/zinc/66/11/93/1272661193.db2.gz HLEHJQUVHAKXDA-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)C2 ZINC001169090292 1272667443 /nfs/dbraw/zinc/66/74/43/1272667443.db2.gz JHTLJGSDCGVORJ-XFIYOXNOSA-N 1 3 341.471 2.549 20 0 EFADHO C[C@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126299 1272679956 /nfs/dbraw/zinc/67/99/56/1272679956.db2.gz RHCMAWZFCMGFSL-NXOAAHMSSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126299 1272679960 /nfs/dbraw/zinc/67/99/60/1272679960.db2.gz RHCMAWZFCMGFSL-NXOAAHMSSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126297 1272680007 /nfs/dbraw/zinc/68/00/07/1272680007.db2.gz RHCMAWZFCMGFSL-MWDXBVQZSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126297 1272680009 /nfs/dbraw/zinc/68/00/09/1272680009.db2.gz RHCMAWZFCMGFSL-MWDXBVQZSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126300 1272682634 /nfs/dbraw/zinc/68/26/34/1272682634.db2.gz RHCMAWZFCMGFSL-WCXIOVBPSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCN1C(=O)OC(C)(C)C ZINC001169126300 1272682637 /nfs/dbraw/zinc/68/26/37/1272682637.db2.gz RHCMAWZFCMGFSL-WCXIOVBPSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001169125787 1272682931 /nfs/dbraw/zinc/68/29/31/1272682931.db2.gz LLQDXXDLHJZWCM-NQNKBUKLSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001169125787 1272682944 /nfs/dbraw/zinc/68/29/44/1272682944.db2.gz LLQDXXDLHJZWCM-NQNKBUKLSA-N 1 3 337.508 2.847 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)c1ccccc1NC3=O)C2 ZINC001169129868 1272686606 /nfs/dbraw/zinc/68/66/06/1272686606.db2.gz LETBVIIFVXAJFG-ZSHCYNCHSA-N 1 3 325.456 2.598 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CC1)c1ccccc1NC3=O)C2 ZINC001169129868 1272686611 /nfs/dbraw/zinc/68/66/11/1272686611.db2.gz LETBVIIFVXAJFG-ZSHCYNCHSA-N 1 3 325.456 2.598 20 0 EFADHO Cc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(N2CCOCC2)n1 ZINC001169135590 1272695518 /nfs/dbraw/zinc/69/55/18/1272695518.db2.gz BFPWVMACQZKTMS-HNAYVOBHSA-N 1 3 347.507 2.577 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169139716 1272700461 /nfs/dbraw/zinc/70/04/61/1272700461.db2.gz DZQOGVZYVKSFHB-ZSHCYNCHSA-N 1 3 335.492 2.601 20 0 EFADHO COc1cccc(CN2CCC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC001169109485 1272703459 /nfs/dbraw/zinc/70/34/59/1272703459.db2.gz JDRKZXWUFPPGGF-ACDBMABISA-N 1 3 343.515 2.874 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034735893 1272762215 /nfs/dbraw/zinc/76/22/15/1272762215.db2.gz PJXOFTUYPMZFHR-WDSOQIARSA-N 1 3 333.520 2.988 20 0 EFADHO CC[NH+]1CCC(N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001169251190 1272773513 /nfs/dbraw/zinc/77/35/13/1272773513.db2.gz VLPQHINHSLPAJH-WBVHZDCISA-N 1 3 337.508 2.802 20 0 EFADHO CC[NH+]1CCC(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169249358 1272773990 /nfs/dbraw/zinc/77/39/90/1272773990.db2.gz HQWWGPLKOPKBQY-INIZCTEOSA-N 1 3 325.497 2.802 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034775373 1272924306 /nfs/dbraw/zinc/92/43/06/1272924306.db2.gz MYGSCPPICBRRJK-ULQDDVLXSA-N 1 3 327.488 2.628 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001169452692 1272926842 /nfs/dbraw/zinc/92/68/42/1272926842.db2.gz PQAQANMUJSZGIG-KRWDZBQOSA-N 1 3 331.504 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034786954 1272963805 /nfs/dbraw/zinc/96/38/05/1272963805.db2.gz UMJSOVXRRLVVMD-QAQDUYKDSA-N 1 3 330.476 2.778 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169513274 1272975943 /nfs/dbraw/zinc/97/59/43/1272975943.db2.gz LDPFEZWSJGJMGB-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO CC(=O)N1CC[C@@H]([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169536936 1272994622 /nfs/dbraw/zinc/99/46/22/1272994622.db2.gz GRCGFZNKFXDQTJ-IEBWSBKVSA-N 1 3 345.487 2.577 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034816284 1273054300 /nfs/dbraw/zinc/05/43/00/1273054300.db2.gz KXWXMCBATKEOJU-LJQANCHMSA-N 1 3 329.488 2.675 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)c2ccccc2CN(C)C)cc1 ZINC001034831441 1273097618 /nfs/dbraw/zinc/09/76/18/1273097618.db2.gz DMFBABOSNRHJTR-UHFFFAOYSA-N 1 3 325.456 2.788 20 0 EFADHO CCCN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783157 1273164578 /nfs/dbraw/zinc/16/45/78/1273164578.db2.gz AFRKJAFZNYBOSI-IBGZPJMESA-N 1 3 331.504 2.955 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@@H]2C1 ZINC001169791086 1273169989 /nfs/dbraw/zinc/16/99/89/1273169989.db2.gz RDCXRXIKJATAGO-ZCNNSNEGSA-N 1 3 341.499 2.565 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@@H]2C1 ZINC001169791086 1273169992 /nfs/dbraw/zinc/16/99/92/1273169992.db2.gz RDCXRXIKJATAGO-ZCNNSNEGSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791086 1273169999 /nfs/dbraw/zinc/16/99/99/1273169999.db2.gz RDCXRXIKJATAGO-ZCNNSNEGSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791086 1273170002 /nfs/dbraw/zinc/17/00/02/1273170002.db2.gz RDCXRXIKJATAGO-ZCNNSNEGSA-N 1 3 341.499 2.565 20 0 EFADHO C[C@H](CCCC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@@H]1CCCN1C ZINC001169809937 1273176724 /nfs/dbraw/zinc/17/67/24/1273176724.db2.gz MLXIOAFSJBQABD-QOUCBHDVSA-N 1 3 336.307 2.664 20 0 EFADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926592 1273265111 /nfs/dbraw/zinc/26/51/11/1273265111.db2.gz YKYKYMXKEOBYOE-KRWDZBQOSA-N 1 3 334.435 2.761 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2Cl)CCC1 ZINC001034956612 1273269399 /nfs/dbraw/zinc/26/93/99/1273269399.db2.gz BXYWYVRPISYOLF-MRXNPFEDSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957758 1273270616 /nfs/dbraw/zinc/27/06/16/1273270616.db2.gz HYLWUJVLHRGOHD-LJQANCHMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c(C)s1 ZINC001034957584 1273270719 /nfs/dbraw/zinc/27/07/19/1273270719.db2.gz BYHWNAQGTZBQNF-GOSISDBHSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001034957444 1273271277 /nfs/dbraw/zinc/27/12/77/1273271277.db2.gz UZCVMLIGAAFMCH-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034958868 1273275338 /nfs/dbraw/zinc/27/53/38/1273275338.db2.gz MWNAQHXTUNBELF-RTBURBONSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001034973688 1273294613 /nfs/dbraw/zinc/29/46/13/1273294613.db2.gz ATFWIBJWVOEOMZ-QZTJIDSGSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001034974876 1273297760 /nfs/dbraw/zinc/29/77/60/1273297760.db2.gz KONUEZIEPWXIFP-BZUAXINKSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001034975591 1273300552 /nfs/dbraw/zinc/30/05/52/1273300552.db2.gz UTGZSFOZHPYCJX-ZTFGCOKTSA-N 1 3 335.467 2.808 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001034961451 1273314589 /nfs/dbraw/zinc/31/45/89/1273314589.db2.gz SJIIIJHZUHTRSV-MSOLQXFVSA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001129357317 1273372854 /nfs/dbraw/zinc/37/28/54/1273372854.db2.gz JLYSGWPDPXAMMA-UHFFFAOYSA-N 1 3 331.504 2.575 20 0 EFADHO CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704950 1273379004 /nfs/dbraw/zinc/37/90/04/1273379004.db2.gz VZBFPZPTTNPLSY-WSOJGZCQSA-N 1 3 333.520 2.796 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001129358500 1273384965 /nfs/dbraw/zinc/38/49/65/1273384965.db2.gz SQALFIRJRPTVNB-UHFFFAOYSA-N 1 3 331.504 2.674 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001035013965 1273387786 /nfs/dbraw/zinc/38/77/86/1273387786.db2.gz QXKXFDXZRAVVBZ-HDMKZQKVSA-N 1 3 333.451 2.562 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC001035047408 1273462321 /nfs/dbraw/zinc/46/23/21/1273462321.db2.gz CNJNFMQWSLERDH-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001035050153 1273468328 /nfs/dbraw/zinc/46/83/28/1273468328.db2.gz WBLUZUOXPDNBDV-DNVCBOLYSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001035051184 1273469338 /nfs/dbraw/zinc/46/93/38/1273469338.db2.gz KWDISFKFUFXMGZ-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001035051184 1273469348 /nfs/dbraw/zinc/46/93/48/1273469348.db2.gz KWDISFKFUFXMGZ-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001035052135 1273469706 /nfs/dbraw/zinc/46/97/06/1273469706.db2.gz FHLBBUSWHGGVOI-AEFFLSMTSA-N 1 3 343.471 2.854 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1F ZINC001035051604 1273470068 /nfs/dbraw/zinc/47/00/68/1273470068.db2.gz PQUVGRHXLAQUDZ-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001035052578 1273470672 /nfs/dbraw/zinc/47/06/72/1273470672.db2.gz QAWHLJDCNRPRPG-RLLQIKCJSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001035052540 1273470889 /nfs/dbraw/zinc/47/08/89/1273470889.db2.gz OIJPXRDGUCKSJQ-MOPGFXCFSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785569 1273471924 /nfs/dbraw/zinc/47/19/24/1273471924.db2.gz ITCKWAMEGXMVKN-OTWHNJEPSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001035055766 1273475703 /nfs/dbraw/zinc/47/57/03/1273475703.db2.gz VVGUPVSRVBSHMA-SJORKVTESA-N 1 3 337.533 2.786 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001035086619 1273493316 /nfs/dbraw/zinc/49/33/16/1273493316.db2.gz YDOPURQCEVCVQN-LJQANCHMSA-N 1 3 347.547 2.879 20 0 EFADHO [NH3+]CCCCCCCN1CCN(c2ncnc3sccc32)CC1 ZINC000844222041 1278796678 /nfs/dbraw/zinc/79/66/78/1278796678.db2.gz RFXYQLVQFUGRKB-UHFFFAOYSA-N 1 3 333.505 2.723 20 0 EFADHO Clc1ccc(CN2CCN(CCCC3CC[NH2+]CC3)CC2)cn1 ZINC000844222097 1278796823 /nfs/dbraw/zinc/79/68/23/1278796823.db2.gz UEZOOIBCAQTVJC-UHFFFAOYSA-N 1 3 336.911 2.632 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001035126174 1273589516 /nfs/dbraw/zinc/58/95/16/1273589516.db2.gz UIOVIMAGYVVTHA-HXUWFJFHSA-N 1 3 341.499 2.740 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001035126030 1273589758 /nfs/dbraw/zinc/58/97/58/1273589758.db2.gz RSOHDNLWWXDDMZ-QGZVFWFLSA-N 1 3 341.455 2.609 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC001035125345 1273590222 /nfs/dbraw/zinc/59/02/22/1273590222.db2.gz FJQBBSVYNMUYTQ-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001035132144 1273599574 /nfs/dbraw/zinc/59/95/74/1273599574.db2.gz AIYDITFTXKVZDK-OUNSHVDWSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)(C(=O)N1CCC2(CCN(CCF)C2)CC1)[NH+]1CCCCC1 ZINC001035184935 1273752363 /nfs/dbraw/zinc/75/23/63/1273752363.db2.gz QHUZMRKYPYPJJD-UHFFFAOYSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035196277 1273757737 /nfs/dbraw/zinc/75/77/37/1273757737.db2.gz CBQPDNGRQOVTFM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035196277 1273757744 /nfs/dbraw/zinc/75/77/44/1273757744.db2.gz CBQPDNGRQOVTFM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035196460 1273757760 /nfs/dbraw/zinc/75/77/60/1273757760.db2.gz KNHWGEWKRJLVBH-ACBHZAAOSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035196460 1273757764 /nfs/dbraw/zinc/75/77/64/1273757764.db2.gz KNHWGEWKRJLVBH-ACBHZAAOSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CCC(F)(F)F)C2)CC1)N(C)C ZINC001035197155 1273761487 /nfs/dbraw/zinc/76/14/87/1273761487.db2.gz JSKAVIHHUFMLLN-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CCC(F)(F)F)C2)CC1)N(C)C ZINC001035197155 1273761495 /nfs/dbraw/zinc/76/14/95/1273761495.db2.gz JSKAVIHHUFMLLN-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001035198065 1273763656 /nfs/dbraw/zinc/76/36/56/1273763656.db2.gz CNHRFXBUUOOYHU-VCELZJIISA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001035198065 1273763661 /nfs/dbraw/zinc/76/36/61/1273763661.db2.gz CNHRFXBUUOOYHU-VCELZJIISA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001035198063 1273764135 /nfs/dbraw/zinc/76/41/35/1273764135.db2.gz CNHRFXBUUOOYHU-SGNXQUTQSA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001035198063 1273764140 /nfs/dbraw/zinc/76/41/40/1273764140.db2.gz CNHRFXBUUOOYHU-SGNXQUTQSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC[C@@H](C)F)C2)CC1)N(C)C ZINC001035225042 1273840817 /nfs/dbraw/zinc/84/08/17/1273840817.db2.gz SMPIGUGJNBJQJQ-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC[C@@H](C)F)C2)CC1)N(C)C ZINC001035225042 1273840824 /nfs/dbraw/zinc/84/08/24/1273840824.db2.gz SMPIGUGJNBJQJQ-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227020 1273845917 /nfs/dbraw/zinc/84/59/17/1273845917.db2.gz MVVIYAQPZUUFJB-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035227020 1273845926 /nfs/dbraw/zinc/84/59/26/1273845926.db2.gz MVVIYAQPZUUFJB-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227748 1273848340 /nfs/dbraw/zinc/84/83/40/1273848340.db2.gz XHRYBNDMIBQOCJ-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227748 1273848345 /nfs/dbraw/zinc/84/83/45/1273848345.db2.gz XHRYBNDMIBQOCJ-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)c(Cl)c1 ZINC001129380417 1273856140 /nfs/dbraw/zinc/85/61/40/1273856140.db2.gz IEZATGOFDWLTLQ-LBPRGKRZSA-N 1 3 341.858 2.730 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCC(F)(F)F)C2)CC1)N(C)C ZINC001035229357 1273933486 /nfs/dbraw/zinc/93/34/86/1273933486.db2.gz JSKAVIHHUFMLLN-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC(F)(F)F)C2)CC1)N(C)C ZINC001035229357 1273933492 /nfs/dbraw/zinc/93/34/92/1273933492.db2.gz JSKAVIHHUFMLLN-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361023 1274191854 /nfs/dbraw/zinc/19/18/54/1274191854.db2.gz JWJGHJQDZKGVPP-NCOADZHNSA-N 1 3 327.488 2.578 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361023 1274191859 /nfs/dbraw/zinc/19/18/59/1274191859.db2.gz JWJGHJQDZKGVPP-NCOADZHNSA-N 1 3 327.488 2.578 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109462126 1274304980 /nfs/dbraw/zinc/30/49/80/1274304980.db2.gz CMDSHDBITDHSQL-QYZOEREBSA-N 1 3 343.515 2.681 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1ccccc1 ZINC001109462126 1274304988 /nfs/dbraw/zinc/30/49/88/1274304988.db2.gz CMDSHDBITDHSQL-QYZOEREBSA-N 1 3 343.515 2.681 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1 ZINC001109462126 1274304995 /nfs/dbraw/zinc/30/49/95/1274304995.db2.gz CMDSHDBITDHSQL-QYZOEREBSA-N 1 3 343.515 2.681 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1 ZINC001109462126 1274305001 /nfs/dbraw/zinc/30/50/01/1274305001.db2.gz CMDSHDBITDHSQL-QYZOEREBSA-N 1 3 343.515 2.681 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109471051 1274321792 /nfs/dbraw/zinc/32/17/92/1274321792.db2.gz SEVFBYNYLNXJHW-QYZOEREBSA-N 1 3 342.487 2.596 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035721279 1274407913 /nfs/dbraw/zinc/40/79/13/1274407913.db2.gz TUHJJGJFQGPGCO-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)C1CCC1 ZINC001035722646 1274409471 /nfs/dbraw/zinc/40/94/71/1274409471.db2.gz YGIAMHJEYQORII-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CC4=CCCCC4)C3)CC2)CCC1 ZINC001035723428 1274411337 /nfs/dbraw/zinc/41/13/37/1274411337.db2.gz HSNVRAKJQJVITE-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035724864 1274412677 /nfs/dbraw/zinc/41/26/77/1274412677.db2.gz BDBYZCCINLHQHS-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035724864 1274412682 /nfs/dbraw/zinc/41/26/82/1274412682.db2.gz BDBYZCCINLHQHS-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)CC2 ZINC001035754650 1274439359 /nfs/dbraw/zinc/43/93/59/1274439359.db2.gz FSYQPORCUSKIKB-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)N(C)C ZINC001035786811 1274480733 /nfs/dbraw/zinc/48/07/33/1274480733.db2.gz FAGJBLREYOBJNK-GOSISDBHSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035796357 1274494291 /nfs/dbraw/zinc/49/42/91/1274494291.db2.gz AFPZDULBGNKIHZ-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035795742 1274494770 /nfs/dbraw/zinc/49/47/70/1274494770.db2.gz YNISTAKVFOQZRE-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](Cc3ccccc3C)C2)CC1)N(C)C ZINC001035797300 1274495755 /nfs/dbraw/zinc/49/57/55/1274495755.db2.gz WQOHLQJTNLBUFP-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035797902 1274496017 /nfs/dbraw/zinc/49/60/17/1274496017.db2.gz JHJAZWFJKQQZOA-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC001035799187 1274496808 /nfs/dbraw/zinc/49/68/08/1274496808.db2.gz VKEOCVFJNFWUAY-QGZVFWFLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)CN2CCC(C)(C)C2)CC3)C1 ZINC001035799242 1274497342 /nfs/dbraw/zinc/49/73/42/1274497342.db2.gz WXEJAEOJQUPQLV-UHFFFAOYSA-N 1 3 347.547 2.689 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109649734 1274517155 /nfs/dbraw/zinc/51/71/55/1274517155.db2.gz BFCGYBKWZAOPHR-QYZOEREBSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653296 1274521463 /nfs/dbraw/zinc/52/14/63/1274521463.db2.gz SAIUTZPOGVRCCC-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001035804873 1274530358 /nfs/dbraw/zinc/53/03/58/1274530358.db2.gz VGRIIWWJLMZXPW-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1 ZINC001109673965 1274545938 /nfs/dbraw/zinc/54/59/38/1274545938.db2.gz UTCZIBUGFUWRDV-AABGKKOBSA-N 1 3 343.515 2.983 20 0 EFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C1CC1 ZINC001109673339 1274546477 /nfs/dbraw/zinc/54/64/77/1274546477.db2.gz JIQGJXIIVOYNTO-HOJAQTOUSA-N 1 3 341.499 2.737 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001035851094 1274557681 /nfs/dbraw/zinc/55/76/81/1274557681.db2.gz GERCJQPYGDAFNF-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+](CC)CC ZINC001109714542 1274570942 /nfs/dbraw/zinc/57/09/42/1274570942.db2.gz OFCIKTIAXUWFMA-XDNAFOTISA-N 1 3 341.515 2.968 20 0 EFADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035857976 1274607333 /nfs/dbraw/zinc/60/73/33/1274607333.db2.gz OKGOGBJRUMMBMT-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1Cl ZINC001170211967 1278885265 /nfs/dbraw/zinc/88/52/65/1278885265.db2.gz UFVKKAUIGWQYNE-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCNCc1cc(Cl)ccc1Cl ZINC001170211967 1278885277 /nfs/dbraw/zinc/88/52/77/1278885277.db2.gz UFVKKAUIGWQYNE-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)N3CCCC3)C2)s1 ZINC000844327348 1278887922 /nfs/dbraw/zinc/88/79/22/1278887922.db2.gz PXYTWCFKHLKYRI-QGZVFWFLSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)N3CCCC3)C2)s1 ZINC000844327348 1278887929 /nfs/dbraw/zinc/88/79/29/1278887929.db2.gz PXYTWCFKHLKYRI-QGZVFWFLSA-N 1 3 349.544 2.823 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001036052846 1274976436 /nfs/dbraw/zinc/97/64/36/1274976436.db2.gz CDWPLSDGCAYKRA-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036053890 1274977351 /nfs/dbraw/zinc/97/73/51/1274977351.db2.gz IEGLOBCWXVDTBI-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036055435 1274980599 /nfs/dbraw/zinc/98/05/99/1274980599.db2.gz PCEMZRYZLXINEZ-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036055966 1274982327 /nfs/dbraw/zinc/98/23/27/1274982327.db2.gz SDUPXCHSXSXIKE-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001036055952 1274982577 /nfs/dbraw/zinc/98/25/77/1274982577.db2.gz RVAUGASZSNISAT-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036056640 1274982685 /nfs/dbraw/zinc/98/26/85/1274982685.db2.gz WEHUPJYFIODAQW-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036055967 1274982720 /nfs/dbraw/zinc/98/27/20/1274982720.db2.gz SDUPXCHSXSXIKE-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001036056907 1274983670 /nfs/dbraw/zinc/98/36/70/1274983670.db2.gz WROYQAUBHPTJCP-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001036064101 1274993618 /nfs/dbraw/zinc/99/36/18/1274993618.db2.gz LOWJYZXCSVHIDM-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)cs1 ZINC001036067136 1275021385 /nfs/dbraw/zinc/02/13/85/1275021385.db2.gz SYWASDZKRDNGHL-RDTXWAMCSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036066743 1275021558 /nfs/dbraw/zinc/02/15/58/1275021558.db2.gz RTDLDZKEBQGTIN-VQIMIIECSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001036182361 1275180554 /nfs/dbraw/zinc/18/05/54/1275180554.db2.gz MUFKPCDATUWVMZ-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)C2)C1 ZINC001112568087 1275221694 /nfs/dbraw/zinc/22/16/94/1275221694.db2.gz XNPCUCUUOLIRGY-BZWMRVRASA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001036204888 1275222918 /nfs/dbraw/zinc/22/29/18/1275222918.db2.gz LLFSDICMFDIMJP-YJBOKZPZSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC001036206173 1275224518 /nfs/dbraw/zinc/22/45/18/1275224518.db2.gz PLLYQWXAYJSFRL-DYVFJYSZSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1C ZINC001036207601 1275226944 /nfs/dbraw/zinc/22/69/44/1275226944.db2.gz UEZIHHJFPSZWKI-LPHOPBHVSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)s1 ZINC001036191906 1275249501 /nfs/dbraw/zinc/24/95/01/1275249501.db2.gz FTJHJRJBFUURMP-SJKOYZFVSA-N 1 3 346.500 2.657 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036303960 1275387315 /nfs/dbraw/zinc/38/73/15/1275387315.db2.gz NTETZEIANLAAJD-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCC1CC1 ZINC001036305537 1275424982 /nfs/dbraw/zinc/42/49/82/1275424982.db2.gz UMHQRKGUXKQODZ-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036307222 1275428657 /nfs/dbraw/zinc/42/86/57/1275428657.db2.gz ZKTLYCMONOWCNV-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC(NC(=S)Nc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063149093 1278951905 /nfs/dbraw/zinc/95/19/05/1278951905.db2.gz LEGAOYOHOLJIMW-UHFFFAOYSA-N 1 3 332.517 2.663 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786783250 1275527384 /nfs/dbraw/zinc/52/73/84/1275527384.db2.gz LTLYJKYYTKAVAS-INIZCTEOSA-N 1 3 330.476 2.743 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036416406 1275565115 /nfs/dbraw/zinc/56/51/15/1275565115.db2.gz ULNOGGDFLLUMQJ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036408302 1275595463 /nfs/dbraw/zinc/59/54/63/1275595463.db2.gz AAAFEBIZFBEAGC-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001036448402 1275607331 /nfs/dbraw/zinc/60/73/31/1275607331.db2.gz AYLVFHPDNIHPKO-AEFFLSMTSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448613 1275607966 /nfs/dbraw/zinc/60/79/66/1275607966.db2.gz BYVPRSNKDFDEQV-GOEBONIOSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036455094 1275682278 /nfs/dbraw/zinc/68/22/78/1275682278.db2.gz GAQLQTCVFTXZGA-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036472968 1275718083 /nfs/dbraw/zinc/71/80/83/1275718083.db2.gz JXMCYOVSPWALQK-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086551472 1275725872 /nfs/dbraw/zinc/72/58/72/1275725872.db2.gz BOEFCYLKFWLHBC-BZUAXINKSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086551472 1275725875 /nfs/dbraw/zinc/72/58/75/1275725875.db2.gz BOEFCYLKFWLHBC-BZUAXINKSA-N 1 3 349.906 2.585 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036451799 1275735287 /nfs/dbraw/zinc/73/52/87/1275735287.db2.gz QCQQMGNWTGUAHT-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135976509 1276275008 /nfs/dbraw/zinc/27/50/08/1276275008.db2.gz KNEZBOQWFXNXES-JKSUJKDBSA-N 1 3 337.483 2.871 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135977697 1276275933 /nfs/dbraw/zinc/27/59/33/1276275933.db2.gz XPASVXSHDYXSLP-DLBZAZTESA-N 1 3 333.520 2.964 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001136030928 1276339607 /nfs/dbraw/zinc/33/96/07/1276339607.db2.gz DPOODSZFGNAWBP-HOTGVXAUSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001136031419 1276340309 /nfs/dbraw/zinc/34/03/09/1276340309.db2.gz KVOZTRWKWLDFNH-KGLIPLIRSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001136031637 1276340406 /nfs/dbraw/zinc/34/04/06/1276340406.db2.gz NQMSUWHPROOBHR-LSDHHAIUSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001136031545 1276340496 /nfs/dbraw/zinc/34/04/96/1276340496.db2.gz MSOXYKDHJRYHHC-JKSUJKDBSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001136032238 1276340991 /nfs/dbraw/zinc/34/09/91/1276340991.db2.gz XVHGVWLYVLWHCN-CVEARBPZSA-N 1 3 342.487 2.685 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001136031975 1276341366 /nfs/dbraw/zinc/34/13/66/1276341366.db2.gz UKANQCNKZLXVQS-GJZGRUSLSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001136032054 1276341439 /nfs/dbraw/zinc/34/14/39/1276341439.db2.gz VHEPMQFZNXRGEI-CABCVRRESA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001136032373 1276341800 /nfs/dbraw/zinc/34/18/00/1276341800.db2.gz ZXRWEHAVYSLGBR-ZIAGYGMSSA-N 1 3 332.492 2.714 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831237 1276348714 /nfs/dbraw/zinc/34/87/14/1276348714.db2.gz OXNQFJUNBVTUOD-YSIASYRMSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831237 1276348717 /nfs/dbraw/zinc/34/87/17/1276348717.db2.gz OXNQFJUNBVTUOD-YSIASYRMSA-N 1 3 349.563 2.935 20 0 EFADHO O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000817896633 1276364012 /nfs/dbraw/zinc/36/40/12/1276364012.db2.gz MOMBJPZUSZKUFK-JZXOWHBKSA-N 1 3 330.453 2.627 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897751 1276365567 /nfs/dbraw/zinc/36/55/67/1276365567.db2.gz WSHSJIJCCDTTGL-ZIBCJSCZSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901257 1276367042 /nfs/dbraw/zinc/36/70/42/1276367042.db2.gz UNJUJVLAUIYCIJ-DFBGVHRSSA-N 1 3 332.366 2.596 20 0 EFADHO COCCc1nc(C)c([C@H](C)NCc2ccc(CC[NH3+])cc2)s1 ZINC000817949915 1276395314 /nfs/dbraw/zinc/39/53/14/1276395314.db2.gz UFEFZLBPUSOWGS-ZDUSSCGKSA-N 1 3 333.501 2.992 20 0 EFADHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817961261 1276402202 /nfs/dbraw/zinc/40/22/02/1276402202.db2.gz VTTGSKDQCPXSHB-NJZAAPMLSA-N 1 3 346.443 2.851 20 0 EFADHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817961259 1276402543 /nfs/dbraw/zinc/40/25/43/1276402543.db2.gz VTTGSKDQCPXSHB-CORIIIEPSA-N 1 3 346.443 2.851 20 0 EFADHO Cc1cc(F)ccc1[C@@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000817972952 1276414814 /nfs/dbraw/zinc/41/48/14/1276414814.db2.gz QNBJQGVELDCBHU-DOMZBBRYSA-N 1 3 333.373 2.621 20 0 EFADHO COc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1CN1CCCCC1 ZINC000817978198 1276416697 /nfs/dbraw/zinc/41/66/97/1276416697.db2.gz YHXZCBNEWMSNNV-FEUVXWNVSA-N 1 3 329.488 2.550 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985646 1276423590 /nfs/dbraw/zinc/42/35/90/1276423590.db2.gz MOTARXVJKJYFAC-QWHCGFSZSA-N 1 3 336.867 2.716 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086820062 1276503986 /nfs/dbraw/zinc/50/39/86/1276503986.db2.gz OBQSGGLWFGDSJD-IPMKNSEASA-N 1 3 335.536 2.924 20 0 EFADHO CCOc1ccc(C(=O)Nc2ccc(N[C@H](N)CCC[NH3+])cc2)cc1 ZINC001170900668 1276507163 /nfs/dbraw/zinc/50/71/63/1276507163.db2.gz NSVYJTBVSQZKSD-SFHVURJKSA-N 1 3 342.443 2.773 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001170097866 1276509063 /nfs/dbraw/zinc/50/90/63/1276509063.db2.gz GAUPTAJDQREBNI-NZSAHSFTSA-N 1 3 343.515 2.580 20 0 EFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000818966759 1276552992 /nfs/dbraw/zinc/55/29/92/1276552992.db2.gz ODAYVGWMCUQBBH-QGZVFWFLSA-N 1 3 326.843 2.977 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1cccc(F)c1 ZINC000818984338 1276563776 /nfs/dbraw/zinc/56/37/76/1276563776.db2.gz FBBXTRBCRYBTIL-SFHVURJKSA-N 1 3 332.419 2.589 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000819105982 1276611311 /nfs/dbraw/zinc/61/13/11/1276611311.db2.gz RERDMCHWCAGUDC-GMXABZIVSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000819105982 1276611328 /nfs/dbraw/zinc/61/13/28/1276611328.db2.gz RERDMCHWCAGUDC-GMXABZIVSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158176 1276660698 /nfs/dbraw/zinc/66/06/98/1276660698.db2.gz ZCOHSHSDKYIWAN-YLJYHZDGSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158176 1276660707 /nfs/dbraw/zinc/66/07/07/1276660707.db2.gz ZCOHSHSDKYIWAN-YLJYHZDGSA-N 1 3 337.552 2.935 20 0 EFADHO CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711339201 1276672322 /nfs/dbraw/zinc/67/23/22/1276672322.db2.gz KJEJTZZTYOJOMA-ZVDOUQERSA-N 1 3 341.499 2.642 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001168762392 1276985448 /nfs/dbraw/zinc/98/54/48/1276985448.db2.gz ALWZSEIODKPIQE-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cc1csc(CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001174962619 1287270911 /nfs/dbraw/zinc/27/09/11/1287270911.db2.gz VXJKLIFCSFUSOE-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNCCC[NH+]2CCCCC2)cc1 ZINC000790120700 1277289567 /nfs/dbraw/zinc/28/95/67/1277289567.db2.gz KIEFBMGJPJPETB-UHFFFAOYSA-N 1 3 332.492 2.547 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+]CCCN2CCCCC2)cc1 ZINC000790120700 1277289576 /nfs/dbraw/zinc/28/95/76/1277289576.db2.gz KIEFBMGJPJPETB-UHFFFAOYSA-N 1 3 332.492 2.547 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNCC2([NH+](C)C)CCCCC2)cc1 ZINC000790122864 1277290669 /nfs/dbraw/zinc/29/06/69/1277290669.db2.gz WONWWSFEQOMGRL-UHFFFAOYSA-N 1 3 346.519 2.935 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001005992093 1277324659 /nfs/dbraw/zinc/32/46/59/1277324659.db2.gz SJVHHGHLHJPVNO-SFHVURJKSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001005992347 1277327687 /nfs/dbraw/zinc/32/76/87/1277327687.db2.gz SZIJNJGTJBVJSQ-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001005992702 1277330304 /nfs/dbraw/zinc/33/03/04/1277330304.db2.gz VDXUSRYJQVGGLF-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001005992818 1277330730 /nfs/dbraw/zinc/33/07/30/1277330730.db2.gz VUKMDLYLHRRPMI-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923286840 1277497508 /nfs/dbraw/zinc/49/75/08/1277497508.db2.gz ARAHBQCBXHFKST-NWANDNLSSA-N 1 3 330.394 2.668 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175108562 1287312643 /nfs/dbraw/zinc/31/26/43/1287312643.db2.gz SSWRLSQENLTOBA-PKOBYXMFSA-N 1 3 348.535 2.741 20 0 EFADHO c1nc(C2OCCO2)sc1CNCCCCC[NH+]1CCCC1 ZINC000815151372 1287331106 /nfs/dbraw/zinc/33/11/06/1287331106.db2.gz NKZVYYKNOJVKGA-UHFFFAOYSA-N 1 3 325.478 2.544 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001091026351 1279351517 /nfs/dbraw/zinc/35/15/17/1279351517.db2.gz NAMCSSCWNZJGQR-MHJFOBGBSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091026950 1279352952 /nfs/dbraw/zinc/35/29/52/1279352952.db2.gz UGOFRVVCMWZQGK-CTWPCTMYSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CCCC2)C1 ZINC001091027200 1279355278 /nfs/dbraw/zinc/35/52/78/1279355278.db2.gz ZUSVBKMREOWVRJ-ACBHZAAOSA-N 1 3 335.536 2.924 20 0 EFADHO CCOc1cc(CN2CCC(CC[NH3+])CC2)ccc1OC(=O)CC ZINC000844911526 1279360705 /nfs/dbraw/zinc/36/07/05/1279360705.db2.gz NPARWWIVUZTCJW-UHFFFAOYSA-N 1 3 334.460 2.962 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091059719 1279485532 /nfs/dbraw/zinc/48/55/32/1279485532.db2.gz XMXPVEDGWUVKCJ-JCYILVPMSA-N 1 3 335.517 2.607 20 0 EFADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295925 1287376511 /nfs/dbraw/zinc/37/65/11/1287376511.db2.gz LMPHCVCEKYRKES-KRWDZBQOSA-N 1 3 343.556 2.656 20 0 EFADHO O[C@H](C[NH2+]CCCN1CCCCC1)c1ccc(Br)cc1 ZINC000871965591 1287378061 /nfs/dbraw/zinc/37/80/61/1287378061.db2.gz ITJROKSIJOHXAP-MRXNPFEDSA-N 1 3 341.293 2.948 20 0 EFADHO C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)CN(C)CC(C)(C)C ZINC001175297795 1287378333 /nfs/dbraw/zinc/37/83/33/1287378333.db2.gz WXDOBNLXCISWEO-JKSUJKDBSA-N 1 3 331.520 2.977 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN(C)CC(C)(C)C ZINC001175296388 1287378499 /nfs/dbraw/zinc/37/84/99/1287378499.db2.gz NJOFCZXATCSTJZ-WWRUEGTHSA-N 1 3 331.932 2.981 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CCC[C@H]1C ZINC001175256883 1287381436 /nfs/dbraw/zinc/38/14/36/1287381436.db2.gz PULXJOMHSREPMZ-UONOGXRCSA-N 1 3 337.430 2.688 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256589 1287381490 /nfs/dbraw/zinc/38/14/90/1287381490.db2.gz MLIYTPFNWJNCHV-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262150 1287384192 /nfs/dbraw/zinc/38/41/92/1287384192.db2.gz CBOUCFRQEAXYDI-RTBURBONSA-N 1 3 345.531 2.836 20 0 EFADHO CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263379 1287384235 /nfs/dbraw/zinc/38/42/35/1287384235.db2.gz PMEDDWBMKPPKAF-CRAIPNDOSA-N 1 3 329.504 2.874 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262149 1287384306 /nfs/dbraw/zinc/38/43/06/1287384306.db2.gz CBOUCFRQEAXYDI-RBUKOAKNSA-N 1 3 345.531 2.836 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263020 1287384429 /nfs/dbraw/zinc/38/44/29/1287384429.db2.gz NEJWMAYLUFDVRI-KGLIPLIRSA-N 1 3 337.430 2.545 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CC[C@H](C)C1 ZINC001175263019 1287384475 /nfs/dbraw/zinc/38/44/75/1287384475.db2.gz NEJWMAYLUFDVRI-KBPBESRZSA-N 1 3 337.430 2.545 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271798 1287387160 /nfs/dbraw/zinc/38/71/60/1287387160.db2.gz DMUYCPYHFSWYAX-HZPDHXFCSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccnc1)NC(=O)CN1CCC(C)(C)C1 ZINC001175273001 1287388547 /nfs/dbraw/zinc/38/85/47/1287388547.db2.gz MTRLMHRRZSOXTI-KRWDZBQOSA-N 1 3 346.519 2.578 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263022 1287383902 /nfs/dbraw/zinc/38/39/02/1287383902.db2.gz NEJWMAYLUFDVRI-ZIAGYGMSSA-N 1 3 337.430 2.545 20 0 EFADHO CN(C)C1(C(=O)NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)CCC1 ZINC000846131562 1280031148 /nfs/dbraw/zinc/03/11/48/1280031148.db2.gz LKHYMAOGVIBQCG-OAHLLOKOSA-N 1 3 337.895 2.586 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1)N(C)C ZINC001175306444 1287395373 /nfs/dbraw/zinc/39/53/73/1287395373.db2.gz SIADXVMPDBDWTM-WBVHZDCISA-N 1 3 339.549 2.895 20 0 EFADHO COc1ccc(Cl)cc1CN1CCN(CCCCCC[NH3+])CC1 ZINC000846220997 1280073316 /nfs/dbraw/zinc/07/33/16/1280073316.db2.gz FOWZJDFDMCVMME-UHFFFAOYSA-N 1 3 339.911 2.985 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114284936 1280119129 /nfs/dbraw/zinc/11/91/29/1280119129.db2.gz CZMAPTBPNAWOIK-PIIMJCKOSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114284936 1280119135 /nfs/dbraw/zinc/11/91/35/1280119135.db2.gz CZMAPTBPNAWOIK-PIIMJCKOSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001175318395 1287401427 /nfs/dbraw/zinc/40/14/27/1287401427.db2.gz ZSRFTPRFBAPBAI-QAPCUYQASA-N 1 3 337.483 2.931 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001129444345 1280189458 /nfs/dbraw/zinc/18/94/58/1280189458.db2.gz RSXPUJLZYROPPU-HNNXBMFYSA-N 1 3 344.286 2.539 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)c(C)c1C ZINC001129437305 1280199998 /nfs/dbraw/zinc/19/99/98/1280199998.db2.gz YOQASBUYSCJFAB-HXUWFJFHSA-N 1 3 345.531 2.775 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)c(C)c1C ZINC001129437303 1280200531 /nfs/dbraw/zinc/20/05/31/1280200531.db2.gz YOQASBUYSCJFAB-FQEVSTJZSA-N 1 3 345.531 2.775 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001129443409 1280201260 /nfs/dbraw/zinc/20/12/60/1280201260.db2.gz JTDVQBDJZRVHBI-HNNXBMFYSA-N 1 3 344.286 2.539 20 0 EFADHO COc1cc2c(cc1OC)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCCC2 ZINC000872037963 1287408659 /nfs/dbraw/zinc/40/86/59/1287408659.db2.gz IZKSWYPCXJXRSV-QGZVFWFLSA-N 1 3 348.487 2.518 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001171235663 1280288225 /nfs/dbraw/zinc/28/82/25/1280288225.db2.gz IITWVICDDMCFIY-GOSISDBHSA-N 1 3 345.531 2.978 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234954 1280308936 /nfs/dbraw/zinc/30/89/36/1280308936.db2.gz AGRNMPHQVHGLPX-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001171238621 1280334401 /nfs/dbraw/zinc/33/44/01/1280334401.db2.gz WVXWEMIXKUBLDQ-CYBMUJFWSA-N 1 3 337.430 2.688 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001129954057 1280379570 /nfs/dbraw/zinc/37/95/70/1280379570.db2.gz XQWQDCGAEZZZLI-CJNGLKHVSA-N 1 3 325.884 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001129953921 1280379770 /nfs/dbraw/zinc/37/97/70/1280379770.db2.gz UUWLOQHCUXOTPE-CJNGLKHVSA-N 1 3 325.884 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001129953876 1280379781 /nfs/dbraw/zinc/37/97/81/1280379781.db2.gz SLHYVTYFSPBCLR-LRDDRELGSA-N 1 3 343.874 2.832 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001129947402 1280381848 /nfs/dbraw/zinc/38/18/48/1280381848.db2.gz YHHBWRTZQGMGSW-BBRMVZONSA-N 1 3 325.884 2.693 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3c[nH]c4c3cccc4F)CC2)CC1 ZINC001137056315 1287428745 /nfs/dbraw/zinc/42/87/45/1287428745.db2.gz PPZMYHKEGPFBPI-UHFFFAOYSA-N 1 3 330.451 2.519 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186537 1280554348 /nfs/dbraw/zinc/55/43/48/1280554348.db2.gz IDVFECRFPMNYJP-TZMCWYRMSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186537 1280554353 /nfs/dbraw/zinc/55/43/53/1280554353.db2.gz IDVFECRFPMNYJP-TZMCWYRMSA-N 1 3 341.908 2.624 20 0 EFADHO CN(C)C1CC[NH+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)CC1 ZINC001171259049 1280660190 /nfs/dbraw/zinc/66/01/90/1280660190.db2.gz CMCKQSYCKAZXJW-YOFSQIOKSA-N 1 3 341.499 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001146590932 1280945634 /nfs/dbraw/zinc/94/56/34/1280945634.db2.gz DVJTVKPOGUTEBL-HOTGVXAUSA-N 1 3 337.483 2.581 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001146592671 1280945771 /nfs/dbraw/zinc/94/57/71/1280945771.db2.gz KHFSZNVGBALDHP-UONOGXRCSA-N 1 3 339.446 2.932 20 0 EFADHO CC(C)c1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001146592673 1280945840 /nfs/dbraw/zinc/94/58/40/1280945840.db2.gz KIDCSYOTGSNDAK-DLBZAZTESA-N 1 3 348.535 2.918 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001146592669 1280946056 /nfs/dbraw/zinc/94/60/56/1280946056.db2.gz KHFSZNVGBALDHP-KBPBESRZSA-N 1 3 339.446 2.932 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001146592329 1280946417 /nfs/dbraw/zinc/94/64/17/1280946417.db2.gz JPCMREBIZBHQDJ-UONOGXRCSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001146599623 1280947051 /nfs/dbraw/zinc/94/70/51/1280947051.db2.gz CMPXKWUOBPDKMT-CABCVRRESA-N 1 3 325.522 2.504 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001146599625 1280947336 /nfs/dbraw/zinc/94/73/36/1280947336.db2.gz CMPXKWUOBPDKMT-HUUCEWRRSA-N 1 3 325.522 2.504 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001146595467 1280947489 /nfs/dbraw/zinc/94/74/89/1280947489.db2.gz ZXHLVIKPANGWFX-KBPBESRZSA-N 1 3 341.446 2.678 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146595124 1280947886 /nfs/dbraw/zinc/94/78/86/1280947886.db2.gz XGXFKQJCIRCRSW-CVEARBPZSA-N 1 3 337.483 2.847 20 0 EFADHO Cc1cccc(OCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146600916 1280949445 /nfs/dbraw/zinc/94/94/45/1280949445.db2.gz JNMULOGVJQOFPX-QZTJIDSGSA-N 1 3 349.519 2.587 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130709224 1281122528 /nfs/dbraw/zinc/12/25/28/1281122528.db2.gz XMYPDPGZSHFHMU-YJBOKZPZSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130709224 1281122534 /nfs/dbraw/zinc/12/25/34/1281122534.db2.gz XMYPDPGZSHFHMU-YJBOKZPZSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130709222 1281123000 /nfs/dbraw/zinc/12/30/00/1281123000.db2.gz XMYPDPGZSHFHMU-MAUKXSAKSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001130709222 1281123004 /nfs/dbraw/zinc/12/30/04/1281123004.db2.gz XMYPDPGZSHFHMU-MAUKXSAKSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000872204369 1287475642 /nfs/dbraw/zinc/47/56/42/1287475642.db2.gz PDIDSTOALOFHGL-TUKIKUTGSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000872204369 1287475653 /nfs/dbraw/zinc/47/56/53/1287475653.db2.gz PDIDSTOALOFHGL-TUKIKUTGSA-N 1 3 327.266 2.555 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666775 1281319771 /nfs/dbraw/zinc/31/97/71/1281319771.db2.gz FOPVYMQEJWLZKK-HBFSDRIKSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091666775 1281319781 /nfs/dbraw/zinc/31/97/81/1281319781.db2.gz FOPVYMQEJWLZKK-HBFSDRIKSA-N 1 3 333.520 2.606 20 0 EFADHO COCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571419 1287488931 /nfs/dbraw/zinc/48/89/31/1287488931.db2.gz ACCIPEGVDLCBHB-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175573635 1287489579 /nfs/dbraw/zinc/48/95/79/1287489579.db2.gz PTLWNGLZKDTMKB-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nn1 ZINC001170526092 1281341370 /nfs/dbraw/zinc/34/13/70/1281341370.db2.gz PLYKJNGOPZBDIT-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO Cc1nccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527787 1281362323 /nfs/dbraw/zinc/36/23/23/1281362323.db2.gz CDSUCPYSFVCPHY-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2)[NH+](CC)CC ZINC001148285435 1281495439 /nfs/dbraw/zinc/49/54/39/1281495439.db2.gz RMDKPHUONAWLJT-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292537 1281497347 /nfs/dbraw/zinc/49/73/47/1281497347.db2.gz KJGUZVLTLOVDHM-SREVYHEPSA-N 1 3 347.547 2.999 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292537 1281497353 /nfs/dbraw/zinc/49/73/53/1281497353.db2.gz KJGUZVLTLOVDHM-SREVYHEPSA-N 1 3 347.547 2.999 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCNCc1ccccc1C(F)(F)F ZINC001148360564 1281530177 /nfs/dbraw/zinc/53/01/77/1281530177.db2.gz XMTROBASXSEOLD-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001148365725 1281534510 /nfs/dbraw/zinc/53/45/10/1281534510.db2.gz XZJOGIYQGXXWKS-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](Cc4ccsc4)C[C@@]3(C)C2)CCC1 ZINC001091735103 1281643801 /nfs/dbraw/zinc/64/38/01/1281643801.db2.gz JROKMDUSQDCJLN-AEFFLSMTSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](Cc4ccsc4)C[C@@]3(C)C2)CCC1 ZINC001091735103 1281643813 /nfs/dbraw/zinc/64/38/13/1281643813.db2.gz JROKMDUSQDCJLN-AEFFLSMTSA-N 1 3 347.528 2.513 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001148577830 1281657112 /nfs/dbraw/zinc/65/71/12/1281657112.db2.gz GCCHRUQZNAIUIY-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001148577830 1281657124 /nfs/dbraw/zinc/65/71/24/1281657124.db2.gz GCCHRUQZNAIUIY-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]CCc1cc(Cl)ccc1Cl ZINC001148642943 1281669608 /nfs/dbraw/zinc/66/96/08/1281669608.db2.gz RBJBCXHKVDXJCE-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1CC)C2 ZINC001148646997 1281671247 /nfs/dbraw/zinc/67/12/47/1281671247.db2.gz JTGGMBBIBFGTPB-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1CC)C2 ZINC001148646997 1281671253 /nfs/dbraw/zinc/67/12/53/1281671253.db2.gz JTGGMBBIBFGTPB-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc(C)c1)C2 ZINC001148651911 1281673777 /nfs/dbraw/zinc/67/37/77/1281673777.db2.gz REMYAFJLJNOPMM-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1cccc(C)c1)C2 ZINC001148651911 1281673784 /nfs/dbraw/zinc/67/37/84/1281673784.db2.gz REMYAFJLJNOPMM-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC001148655287 1281677337 /nfs/dbraw/zinc/67/73/37/1281677337.db2.gz KVSGBLQGCQMRHD-UHFFFAOYSA-N 1 3 339.483 2.901 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738011 1281685820 /nfs/dbraw/zinc/68/58/20/1281685820.db2.gz MPNCCSKHYCPNMM-OPYAIIAOSA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738011 1281685832 /nfs/dbraw/zinc/68/58/32/1281685832.db2.gz MPNCCSKHYCPNMM-OPYAIIAOSA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738010 1281686582 /nfs/dbraw/zinc/68/65/82/1281686582.db2.gz MPNCCSKHYCPNMM-LQWHRVPQSA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CC1 ZINC001091738010 1281686592 /nfs/dbraw/zinc/68/65/92/1281686592.db2.gz MPNCCSKHYCPNMM-LQWHRVPQSA-N 1 3 347.547 2.543 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000872286573 1287522162 /nfs/dbraw/zinc/52/21/62/1287522162.db2.gz LBSZFLVKYITHCN-MOPGFXCFSA-N 1 3 344.503 2.675 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](C/C=C\c1ccccc1)C2 ZINC001148838894 1281777997 /nfs/dbraw/zinc/77/79/97/1281777997.db2.gz HDFPZVZSURBIHN-YFHOEESVSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C\c1ccccc1)C2 ZINC001148838894 1281778008 /nfs/dbraw/zinc/77/80/08/1281778008.db2.gz HDFPZVZSURBIHN-YFHOEESVSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148844464 1281782314 /nfs/dbraw/zinc/78/23/14/1281782314.db2.gz MQIUCQXJJPMFFE-GOSISDBHSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148844464 1281782322 /nfs/dbraw/zinc/78/23/22/1281782322.db2.gz MQIUCQXJJPMFFE-GOSISDBHSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148844523 1281782891 /nfs/dbraw/zinc/78/28/91/1281782891.db2.gz PJXLZJZGOYTEGQ-MRXNPFEDSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148844523 1281782894 /nfs/dbraw/zinc/78/28/94/1281782894.db2.gz PJXLZJZGOYTEGQ-MRXNPFEDSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872295839 1287527618 /nfs/dbraw/zinc/52/76/18/1287527618.db2.gz JPJSSXRMPNTUMU-IPELMVKDSA-N 1 3 344.503 2.631 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C)CCCCC1 ZINC001273451056 1281858055 /nfs/dbraw/zinc/85/80/55/1281858055.db2.gz UALRDQMFCFQRLR-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(C)CCCCC1 ZINC001273451056 1281858059 /nfs/dbraw/zinc/85/80/59/1281858059.db2.gz UALRDQMFCFQRLR-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001086882293 1281871464 /nfs/dbraw/zinc/87/14/64/1281871464.db2.gz KAOAIPVHDMBAAX-QFBILLFUSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872310286 1287534502 /nfs/dbraw/zinc/53/45/02/1287534502.db2.gz VIBAEQYLHXDEKP-OTWHNJEPSA-N 1 3 329.488 2.593 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)OC ZINC001175740128 1287534863 /nfs/dbraw/zinc/53/48/63/1287534863.db2.gz RWPYCROLAUCLCQ-ROUUACIJSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CC1CCC1)CC2 ZINC001086908385 1281910069 /nfs/dbraw/zinc/91/00/69/1281910069.db2.gz ZKVLJKNHOBMXJO-SJLPKXTDSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170562578 1281928203 /nfs/dbraw/zinc/92/82/03/1281928203.db2.gz DXWONBHOMWPPOR-WTGUMLROSA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170562578 1281928209 /nfs/dbraw/zinc/92/82/09/1281928209.db2.gz DXWONBHOMWPPOR-WTGUMLROSA-N 1 3 342.483 2.782 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CC1CCC1)CC2 ZINC001086926823 1281947326 /nfs/dbraw/zinc/94/73/26/1281947326.db2.gz LFYVKLHWPLYGCG-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926680 1281947730 /nfs/dbraw/zinc/94/77/30/1281947730.db2.gz HDBBWNWICVJTCZ-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071438 1282368403 /nfs/dbraw/zinc/36/84/03/1282368403.db2.gz VUDIBNWGZXXKAC-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071438 1282368416 /nfs/dbraw/zinc/36/84/16/1282368416.db2.gz VUDIBNWGZXXKAC-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C)o1 ZINC000809731221 1282410315 /nfs/dbraw/zinc/41/03/15/1282410315.db2.gz DLQPGIZYHDQQDC-UHFFFAOYSA-N 1 3 347.503 2.711 20 0 EFADHO C[C@@H](NCCNC(=O)CC1([NH+](C)C)CCCC1)c1cccc(F)c1 ZINC001131828643 1282417593 /nfs/dbraw/zinc/41/75/93/1282417593.db2.gz YMJPZQHNEWATOD-OAHLLOKOSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001092657971 1282914266 /nfs/dbraw/zinc/91/42/66/1282914266.db2.gz ATIXGBYXMIFROX-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001092657971 1282914277 /nfs/dbraw/zinc/91/42/77/1282914277.db2.gz ATIXGBYXMIFROX-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1nn(C)c(Cl)c1CNCC1(SC)CC[NH+](C)CC1 ZINC000810170299 1282963729 /nfs/dbraw/zinc/96/37/29/1282963729.db2.gz KBEHWSQFCTZLOR-UHFFFAOYSA-N 1 3 330.929 2.553 20 0 EFADHO CSC1(CNCc2c(Cl)nc3ccccn32)CC[NH+](C)CC1 ZINC000810171035 1282964934 /nfs/dbraw/zinc/96/49/34/1282964934.db2.gz VYHWNBAHVSGMIV-UHFFFAOYSA-N 1 3 338.908 2.905 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCCCF ZINC001132150657 1283046419 /nfs/dbraw/zinc/04/64/19/1283046419.db2.gz UWEOERKBWBPXEZ-IAGOWNOFSA-N 1 3 339.499 2.724 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCOC(C)C)C1 ZINC001132152658 1283049597 /nfs/dbraw/zinc/04/95/97/1283049597.db2.gz GZGHLGFOXWRLTE-IRXDYDNUSA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCOC(C)C)C1 ZINC001132152658 1283049604 /nfs/dbraw/zinc/04/96/04/1283049604.db2.gz GZGHLGFOXWRLTE-IRXDYDNUSA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132153869 1283054887 /nfs/dbraw/zinc/05/48/87/1283054887.db2.gz UPMGFUHULIAFQX-HZPDHXFCSA-N 1 3 329.504 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCCF)C1 ZINC001132153869 1283054894 /nfs/dbraw/zinc/05/48/94/1283054894.db2.gz UPMGFUHULIAFQX-HZPDHXFCSA-N 1 3 329.504 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132153866 1283056604 /nfs/dbraw/zinc/05/66/04/1283056604.db2.gz UPMGFUHULIAFQX-CVEARBPZSA-N 1 3 329.504 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCCF)C1 ZINC001132153866 1283056613 /nfs/dbraw/zinc/05/66/13/1283056613.db2.gz UPMGFUHULIAFQX-CVEARBPZSA-N 1 3 329.504 2.826 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001093024740 1283165741 /nfs/dbraw/zinc/16/57/41/1283165741.db2.gz DCOXHIFKWLYQDQ-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001093024740 1283165747 /nfs/dbraw/zinc/16/57/47/1283165747.db2.gz DCOXHIFKWLYQDQ-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@H]2C)c1 ZINC001132265009 1283217159 /nfs/dbraw/zinc/21/71/59/1283217159.db2.gz GUMDBWOIRSTHKI-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132265558 1283218660 /nfs/dbraw/zinc/21/86/60/1283218660.db2.gz OKRGATKOZLCZCQ-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C)cc1 ZINC001132266286 1283220235 /nfs/dbraw/zinc/22/02/35/1283220235.db2.gz WGNARCQHOOSFAD-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266672 1283221183 /nfs/dbraw/zinc/22/11/83/1283221183.db2.gz YLZZALMPWVHVJC-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCF)C1)N1CCCCC1 ZINC001036717506 1283223068 /nfs/dbraw/zinc/22/30/68/1283223068.db2.gz WQVADRSPKBBQNA-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCF)C1)N1CCCCC1 ZINC001036717506 1283223077 /nfs/dbraw/zinc/22/30/77/1283223077.db2.gz WQVADRSPKBBQNA-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717705 1283224742 /nfs/dbraw/zinc/22/47/42/1283224742.db2.gz ZVJHNKHQPPUNSU-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717705 1283224750 /nfs/dbraw/zinc/22/47/50/1283224750.db2.gz ZVJHNKHQPPUNSU-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1nc(C(C)C)ccc1CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284038 1283239316 /nfs/dbraw/zinc/23/93/16/1283239316.db2.gz TVBXDFLRCXKVIN-UHFFFAOYSA-N 1 3 346.519 2.594 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCCCC(F)(F)F ZINC001132274509 1283245485 /nfs/dbraw/zinc/24/54/85/1283245485.db2.gz VLQDSSPJLGKPQN-ZIAGYGMSSA-N 1 3 337.430 2.640 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(C2CC2)cc1 ZINC001132277288 1283248314 /nfs/dbraw/zinc/24/83/14/1283248314.db2.gz FEFMURYUGIAAII-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001093120784 1283264152 /nfs/dbraw/zinc/26/41/52/1283264152.db2.gz NNKKWJMLRXGRHZ-KZNAEPCWSA-N 1 3 341.515 2.685 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001093120784 1283264161 /nfs/dbraw/zinc/26/41/61/1283264161.db2.gz NNKKWJMLRXGRHZ-KZNAEPCWSA-N 1 3 341.515 2.685 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735511 1283313013 /nfs/dbraw/zinc/31/30/13/1283313013.db2.gz LFXWQTOHQJLOJJ-DLBZAZTESA-N 1 3 347.528 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735511 1283313025 /nfs/dbraw/zinc/31/30/25/1283313025.db2.gz LFXWQTOHQJLOJJ-DLBZAZTESA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736478 1283316404 /nfs/dbraw/zinc/31/64/04/1283316404.db2.gz AGCUIEBUELJMBV-UYAOXDASSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736478 1283316411 /nfs/dbraw/zinc/31/64/11/1283316411.db2.gz AGCUIEBUELJMBV-UYAOXDASSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736772 1283318914 /nfs/dbraw/zinc/31/89/14/1283318914.db2.gz GQCQTLRPXVDRML-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736772 1283318921 /nfs/dbraw/zinc/31/89/21/1283318921.db2.gz GQCQTLRPXVDRML-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224347 1283513317 /nfs/dbraw/zinc/51/33/17/1283513317.db2.gz RLTCTBLSIFTNEH-SJLPKXTDSA-N 1 3 331.504 2.702 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224347 1283513328 /nfs/dbraw/zinc/51/33/28/1283513328.db2.gz RLTCTBLSIFTNEH-SJLPKXTDSA-N 1 3 331.504 2.702 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093223956 1283513950 /nfs/dbraw/zinc/51/39/50/1283513950.db2.gz KPSWUFOFPXWPPN-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093223956 1283513959 /nfs/dbraw/zinc/51/39/59/1283513959.db2.gz KPSWUFOFPXWPPN-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001093225519 1283515386 /nfs/dbraw/zinc/51/53/86/1283515386.db2.gz MNKGYWLDGDJWIU-NXHRZFHOSA-N 1 3 349.544 2.807 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001093225519 1283515392 /nfs/dbraw/zinc/51/53/92/1283515392.db2.gz MNKGYWLDGDJWIU-NXHRZFHOSA-N 1 3 349.544 2.807 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1 ZINC001158624376 1283551826 /nfs/dbraw/zinc/55/18/26/1283551826.db2.gz AATPGQMKDYCDCD-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001158624376 1283551837 /nfs/dbraw/zinc/55/18/37/1283551837.db2.gz AATPGQMKDYCDCD-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433373 1283567024 /nfs/dbraw/zinc/56/70/24/1283567024.db2.gz NEQYSOKGHNXFOO-ROUUACIJSA-N 1 3 341.540 2.504 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361481 1283782592 /nfs/dbraw/zinc/78/25/92/1283782592.db2.gz KVCAWWQSVHNPHK-RBUKOAKNSA-N 1 3 345.531 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361481 1283782603 /nfs/dbraw/zinc/78/26/03/1283782603.db2.gz KVCAWWQSVHNPHK-RBUKOAKNSA-N 1 3 345.531 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361483 1283783301 /nfs/dbraw/zinc/78/33/01/1283783301.db2.gz KVCAWWQSVHNPHK-RTBURBONSA-N 1 3 345.531 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361483 1283783311 /nfs/dbraw/zinc/78/33/11/1283783311.db2.gz KVCAWWQSVHNPHK-RTBURBONSA-N 1 3 345.531 2.584 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371457 1283807340 /nfs/dbraw/zinc/80/73/40/1283807340.db2.gz RBTFCDCTKISFHB-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371457 1283807345 /nfs/dbraw/zinc/80/73/45/1283807345.db2.gz RBTFCDCTKISFHB-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093372187 1283812218 /nfs/dbraw/zinc/81/22/18/1283812218.db2.gz YUIIXALMSRSZCF-RTBURBONSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093372187 1283812231 /nfs/dbraw/zinc/81/22/31/1283812231.db2.gz YUIIXALMSRSZCF-RTBURBONSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377250 1283829819 /nfs/dbraw/zinc/82/98/19/1283829819.db2.gz HRVGKIAOCKJPOK-PXNSSMCTSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377250 1283829826 /nfs/dbraw/zinc/82/98/26/1283829826.db2.gz HRVGKIAOCKJPOK-PXNSSMCTSA-N 1 3 347.547 2.830 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001093378891 1283834343 /nfs/dbraw/zinc/83/43/43/1283834343.db2.gz VMOWPBLRKMPFDD-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001093378891 1283834355 /nfs/dbraw/zinc/83/43/55/1283834355.db2.gz VMOWPBLRKMPFDD-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378983 1283834459 /nfs/dbraw/zinc/83/44/59/1283834459.db2.gz XIDNSXUYCRXDBP-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378983 1283834472 /nfs/dbraw/zinc/83/44/72/1283834472.db2.gz XIDNSXUYCRXDBP-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379707 1283839263 /nfs/dbraw/zinc/83/92/63/1283839263.db2.gz GPZUPRFROYYDIW-LJQANCHMSA-N 1 3 344.503 2.701 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379707 1283839274 /nfs/dbraw/zinc/83/92/74/1283839274.db2.gz GPZUPRFROYYDIW-LJQANCHMSA-N 1 3 344.503 2.701 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379923 1283842518 /nfs/dbraw/zinc/84/25/18/1283842518.db2.gz LWFMFAXQNZSOKA-LJQANCHMSA-N 1 3 344.503 2.845 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379923 1283842525 /nfs/dbraw/zinc/84/25/25/1283842525.db2.gz LWFMFAXQNZSOKA-LJQANCHMSA-N 1 3 344.503 2.845 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093384426 1283860441 /nfs/dbraw/zinc/86/04/41/1283860441.db2.gz ZLAZQESJDPACKE-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093384426 1283860445 /nfs/dbraw/zinc/86/04/45/1283860445.db2.gz ZLAZQESJDPACKE-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccccn1)[C@H]1CCC[N@H+](CC)CC1 ZINC001132555032 1283930260 /nfs/dbraw/zinc/93/02/60/1283930260.db2.gz PDVFMSOCNAONOY-IBGZPJMESA-N 1 3 346.519 2.626 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccccn1)[C@H]1CCC[N@@H+](CC)CC1 ZINC001132555032 1283930270 /nfs/dbraw/zinc/93/02/70/1283930270.db2.gz PDVFMSOCNAONOY-IBGZPJMESA-N 1 3 346.519 2.626 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[N@H+](CC)CC1)N(C)C ZINC001132555591 1283932707 /nfs/dbraw/zinc/93/27/07/1283932707.db2.gz WXHDMCNXOPDCQK-MOPGFXCFSA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[N@@H+](CC)CC1)N(C)C ZINC001132555591 1283932713 /nfs/dbraw/zinc/93/27/13/1283932713.db2.gz WXHDMCNXOPDCQK-MOPGFXCFSA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036821360 1284062906 /nfs/dbraw/zinc/06/29/06/1284062906.db2.gz YTVCAHHDOAVRDC-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036821360 1284062915 /nfs/dbraw/zinc/06/29/15/1284062915.db2.gz YTVCAHHDOAVRDC-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820283 1284096454 /nfs/dbraw/zinc/09/64/54/1284096454.db2.gz FYXFOEUYENVQRH-MSOLQXFVSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820283 1284096463 /nfs/dbraw/zinc/09/64/63/1284096463.db2.gz FYXFOEUYENVQRH-MSOLQXFVSA-N 1 3 333.520 2.607 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)C1 ZINC001176063671 1287690821 /nfs/dbraw/zinc/69/08/21/1287690821.db2.gz FHTDRDZOTMTFDQ-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2c(Cl)cccc2Cl)C1 ZINC001176063671 1287690834 /nfs/dbraw/zinc/69/08/34/1287690834.db2.gz FHTDRDZOTMTFDQ-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001036830110 1284174079 /nfs/dbraw/zinc/17/40/79/1284174079.db2.gz POKNYUVRJFNMJX-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001036830110 1284174082 /nfs/dbraw/zinc/17/40/82/1284174082.db2.gz POKNYUVRJFNMJX-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790693 1284291884 /nfs/dbraw/zinc/29/18/84/1284291884.db2.gz JIFROIXQCOPZLR-IBGZPJMESA-N 1 3 347.478 2.829 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790693 1284291894 /nfs/dbraw/zinc/29/18/94/1284291894.db2.gz JIFROIXQCOPZLR-IBGZPJMESA-N 1 3 347.478 2.829 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852816 1284325922 /nfs/dbraw/zinc/32/59/22/1284325922.db2.gz KDKZOHBYYPKQRZ-OALUTQOASA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852816 1284325925 /nfs/dbraw/zinc/32/59/25/1284325925.db2.gz KDKZOHBYYPKQRZ-OALUTQOASA-N 1 3 333.520 2.607 20 0 EFADHO C[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001132823760 1284334233 /nfs/dbraw/zinc/33/42/33/1284334233.db2.gz LFRBVPNHUYCVTQ-SJORKVTESA-N 1 3 341.515 2.685 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132892347 1284426952 /nfs/dbraw/zinc/42/69/52/1284426952.db2.gz DSCSQGZQPPSHTB-IRXDYDNUSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001132938308 1284490949 /nfs/dbraw/zinc/49/09/49/1284490949.db2.gz TVCQRKAKRHGAOV-SJORKVTESA-N 1 3 343.531 2.931 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001132938306 1284491384 /nfs/dbraw/zinc/49/13/84/1284491384.db2.gz TVCQRKAKRHGAOV-IAGOWNOFSA-N 1 3 343.531 2.931 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCNC2c3ccccc3-c3ccccc32)CC1 ZINC001132992517 1284605010 /nfs/dbraw/zinc/60/50/10/1284605010.db2.gz AFQKXKVMTPBSRX-UHFFFAOYSA-N 1 3 349.478 2.804 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001094040424 1284728096 /nfs/dbraw/zinc/72/80/96/1284728096.db2.gz IQRAUHXNKHRWFC-QWFCFKBJSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)c2)[C@H](C)C1)N(C)C ZINC001094049480 1284732622 /nfs/dbraw/zinc/73/26/22/1284732622.db2.gz VVJOTWOMIYLDEM-XYPHTWIQSA-N 1 3 337.533 2.581 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094088753 1284771575 /nfs/dbraw/zinc/77/15/75/1284771575.db2.gz MGCRUBIGAKUDNZ-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120738 1284829508 /nfs/dbraw/zinc/82/95/08/1284829508.db2.gz ABTVXCZCGZDFJJ-ROUUACIJSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133122216 1284832736 /nfs/dbraw/zinc/83/27/36/1284832736.db2.gz OZFUVRKOMBQEIO-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133135814 1284850381 /nfs/dbraw/zinc/85/03/81/1284850381.db2.gz XKWIWCRTISUDCP-HOTGVXAUSA-N 1 3 334.508 2.853 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135796 1284851009 /nfs/dbraw/zinc/85/10/09/1284851009.db2.gz XCRVHWHVKKITEJ-SDKBWNRFSA-N 1 3 332.492 2.773 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133176663 1284934410 /nfs/dbraw/zinc/93/44/10/1284934410.db2.gz AEFUCRXTWRPUQW-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133177762 1284935110 /nfs/dbraw/zinc/93/51/10/1284935110.db2.gz HHJSZTLKLAMCCA-DOTOQJQBSA-N 1 3 337.533 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133178426 1284937138 /nfs/dbraw/zinc/93/71/38/1284937138.db2.gz QTXODHSWVLDDLP-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133181393 1284943167 /nfs/dbraw/zinc/94/31/67/1284943167.db2.gz AKRLWEZNYKIPLK-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133181395 1284943812 /nfs/dbraw/zinc/94/38/12/1284943812.db2.gz AKRLWEZNYKIPLK-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133190807 1284965182 /nfs/dbraw/zinc/96/51/82/1284965182.db2.gz IQQLVVMZAUPYNA-PKOBYXMFSA-N 1 3 335.536 2.903 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4c(F)cccc4C3)CC2)CC1 ZINC001171441732 1284983752 /nfs/dbraw/zinc/98/37/52/1284983752.db2.gz NCAWDBHKMWIPCU-LJQANCHMSA-N 1 3 345.506 2.642 20 0 EFADHO [NH3+]Cc1nccnc1Nc1nccc2c1CCN(Cc1ccccc1)C2 ZINC001171445150 1285095803 /nfs/dbraw/zinc/09/58/03/1285095803.db2.gz VIHHYGLSVWTUED-UHFFFAOYSA-N 1 3 346.438 2.632 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133274276 1285111979 /nfs/dbraw/zinc/11/19/79/1285111979.db2.gz FIHGUPQRVRGCND-DOTOQJQBSA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133274279 1285112268 /nfs/dbraw/zinc/11/22/68/1285112268.db2.gz FIHGUPQRVRGCND-WBVHZDCISA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133274059 1285113513 /nfs/dbraw/zinc/11/35/13/1285113513.db2.gz APQGUBARILFKLH-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133275875 1285114492 /nfs/dbraw/zinc/11/44/92/1285114492.db2.gz XTVJMISFLUSHJX-PKOBYXMFSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133275390 1285115119 /nfs/dbraw/zinc/11/51/19/1285115119.db2.gz SKFXBXXMQBQRHE-ROUUACIJSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133275358 1285115190 /nfs/dbraw/zinc/11/51/90/1285115190.db2.gz RTUWKSLXLIDHSH-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133275973 1285115670 /nfs/dbraw/zinc/11/56/70/1285115670.db2.gz YOQZCERTKPFTEW-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC001133297176 1285172853 /nfs/dbraw/zinc/17/28/53/1285172853.db2.gz IYVBSQLCRWRYQA-OAHLLOKOSA-N 1 3 344.286 2.638 20 0 EFADHO CCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C ZINC001133337775 1285216766 /nfs/dbraw/zinc/21/67/66/1285216766.db2.gz PPBSHKCDASECCZ-LPHOPBHVSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133346575 1285219603 /nfs/dbraw/zinc/21/96/03/1285219603.db2.gz MYUFCEXNJCWSRW-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133346600 1285225386 /nfs/dbraw/zinc/22/53/86/1285225386.db2.gz NFOBZUVZWVDDPZ-MJGOQNOKSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133347116 1285234062 /nfs/dbraw/zinc/23/40/62/1285234062.db2.gz SVRYSCAXWLTPIY-WMZOPIPTSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133347218 1285234114 /nfs/dbraw/zinc/23/41/14/1285234114.db2.gz UWYVEZSCFYUEAN-FUHWJXTLSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1cc(-n2c(-c3ccccc3)cnc2[C@H](C)N)nc2c1C[NH2+]CC2 ZINC001170680122 1285236214 /nfs/dbraw/zinc/23/62/14/1285236214.db2.gz XWEYRPQWRAIZDV-AWEZNQCLSA-N 1 3 333.439 2.908 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133347426 1285237126 /nfs/dbraw/zinc/23/71/26/1285237126.db2.gz XHKGYIGRGBDXKD-RDJZCZTQSA-N 1 3 337.533 2.663 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H](C1CC1)N(C)C ZINC001133398226 1285316533 /nfs/dbraw/zinc/31/65/33/1285316533.db2.gz KUQTXUZKZVGEQW-KRWDZBQOSA-N 1 3 337.895 2.618 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CC2)C1 ZINC001036901962 1285379643 /nfs/dbraw/zinc/37/96/43/1285379643.db2.gz BLDUJSJWPAFCQK-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CC2)C1 ZINC001036901962 1285379655 /nfs/dbraw/zinc/37/96/55/1285379655.db2.gz BLDUJSJWPAFCQK-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902941 1285384349 /nfs/dbraw/zinc/38/43/49/1285384349.db2.gz SJTPSFRLLSOVNX-QUCCMNQESA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902941 1285384357 /nfs/dbraw/zinc/38/43/57/1285384357.db2.gz SJTPSFRLLSOVNX-QUCCMNQESA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902939 1285385292 /nfs/dbraw/zinc/38/52/92/1285385292.db2.gz SJTPSFRLLSOVNX-AZUAARDMSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902939 1285385302 /nfs/dbraw/zinc/38/53/02/1285385302.db2.gz SJTPSFRLLSOVNX-AZUAARDMSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCF)C2)c1 ZINC001036902870 1285385861 /nfs/dbraw/zinc/38/58/61/1285385861.db2.gz RDIXMLWCOLPQSE-RTBURBONSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCCF)C2)c1 ZINC001036902870 1285385872 /nfs/dbraw/zinc/38/58/72/1285385872.db2.gz RDIXMLWCOLPQSE-RTBURBONSA-N 1 3 347.478 2.644 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001036904596 1285394276 /nfs/dbraw/zinc/39/42/76/1285394276.db2.gz UUASCOSHVBDEFD-HBKWROQRSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)[C@H](C(=O)NCCN[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001133434501 1285425298 /nfs/dbraw/zinc/42/52/98/1285425298.db2.gz UUWLOQHCUXOTPE-XJKSGUPXSA-N 1 3 325.884 2.693 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001133434662 1285425541 /nfs/dbraw/zinc/42/55/41/1285425541.db2.gz XQWQDCGAEZZZLI-XJKSGUPXSA-N 1 3 325.884 2.693 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001171508961 1285617005 /nfs/dbraw/zinc/61/70/05/1285617005.db2.gz KHTAJCOXHFIHLW-CHWSQXEVSA-N 1 3 338.323 2.910 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccns1 ZINC001171585977 1285636163 /nfs/dbraw/zinc/63/61/63/1285636163.db2.gz GMMKQKFRYUWJJV-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001171586520 1285637762 /nfs/dbraw/zinc/63/77/62/1285637762.db2.gz PCYXWMRCCNUHEM-MRXNPFEDSA-N 1 3 334.508 2.577 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCOCC(C)C ZINC001171586926 1285638212 /nfs/dbraw/zinc/63/82/12/1285638212.db2.gz VYWZDMFHXHGSGW-QGZVFWFLSA-N 1 3 343.556 2.654 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC(N)C2)C[C@@H]1C(C)(C)C ZINC001171592286 1285640113 /nfs/dbraw/zinc/64/01/13/1285640113.db2.gz BMHBXEJIBPKRQQ-OOJKYFRXSA-N 1 3 325.497 2.880 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC(N)C2)C[C@H]1C(C)(C)C ZINC001171592287 1285640626 /nfs/dbraw/zinc/64/06/26/1285640626.db2.gz BMHBXEJIBPKRQQ-SHWKFHJASA-N 1 3 325.497 2.880 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171564189 1285650509 /nfs/dbraw/zinc/65/05/09/1285650509.db2.gz VBGSJCDTXISODO-KRWDZBQOSA-N 1 3 330.472 2.599 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171564189 1285650514 /nfs/dbraw/zinc/65/05/14/1285650514.db2.gz VBGSJCDTXISODO-KRWDZBQOSA-N 1 3 330.472 2.599 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171597198 1285669657 /nfs/dbraw/zinc/66/96/57/1285669657.db2.gz VNCZUEXPQKGLQY-QGZVFWFLSA-N 1 3 343.556 2.798 20 0 EFADHO CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171619828 1285682801 /nfs/dbraw/zinc/68/28/01/1285682801.db2.gz RRLOAFFHCLODGX-INIZCTEOSA-N 1 3 345.531 2.967 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(Cc3cccnc3)C2)CC1(C)C ZINC001171625120 1285689008 /nfs/dbraw/zinc/68/90/08/1285689008.db2.gz COFMGECKGRNVSV-KRWDZBQOSA-N 1 3 330.520 2.897 20 0 EFADHO Cc1cc(N2CC[C@@H](NC3CC(C)(C)[NH+](C)C(C)(C)C3)C2)ncn1 ZINC001171626924 1285691216 /nfs/dbraw/zinc/69/12/16/1285691216.db2.gz HKHOXNYOYYJCQN-OAHLLOKOSA-N 1 3 331.508 2.605 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(C(=O)c3ccccn3)C2)CC1(C)C ZINC001171626867 1285691460 /nfs/dbraw/zinc/69/14/60/1285691460.db2.gz FAPFJZMXEDABQS-OAHLLOKOSA-N 1 3 344.503 2.537 20 0 EFADHO COc1ncnc2c1CC[N@@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171637771 1285715451 /nfs/dbraw/zinc/71/54/51/1285715451.db2.gz PFBGJJGEENIELC-UHFFFAOYSA-N 1 3 332.492 2.537 20 0 EFADHO COc1ncnc2c1CC[N@H+](C1CC(C)(C)N(C)C(C)(C)C1)CC2 ZINC001171637771 1285715454 /nfs/dbraw/zinc/71/54/54/1285715454.db2.gz PFBGJJGEENIELC-UHFFFAOYSA-N 1 3 332.492 2.537 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC001171637466 1285715712 /nfs/dbraw/zinc/71/57/12/1285715712.db2.gz OLFLHWBPICANTF-INIZCTEOSA-N 1 3 335.536 2.972 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1(C)C ZINC001171637466 1285715717 /nfs/dbraw/zinc/71/57/17/1285715717.db2.gz OLFLHWBPICANTF-INIZCTEOSA-N 1 3 335.536 2.972 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC1(C)C ZINC001171641295 1285718543 /nfs/dbraw/zinc/71/85/43/1285718543.db2.gz OEWDKHDQMOFMNK-OAHLLOKOSA-N 1 3 336.455 2.720 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CC[C@@H](Oc3ncc(F)cn3)C2)CC1(C)C ZINC001171641295 1285718548 /nfs/dbraw/zinc/71/85/48/1285718548.db2.gz OEWDKHDQMOFMNK-OAHLLOKOSA-N 1 3 336.455 2.720 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001171725183 1285741876 /nfs/dbraw/zinc/74/18/76/1285741876.db2.gz HJTPDCQSLMZCBI-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cccc(F)c1Cl ZINC001171725183 1285741886 /nfs/dbraw/zinc/74/18/86/1285741886.db2.gz HJTPDCQSLMZCBI-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001171770528 1285777191 /nfs/dbraw/zinc/77/71/91/1285777191.db2.gz RFRKGXCVGAOAGL-AWEZNQCLSA-N 1 3 325.884 2.839 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccc(C(C)C)nc1C)[NH+](CC)CC ZINC001133684716 1285778152 /nfs/dbraw/zinc/77/81/52/1285778152.db2.gz LWOISMVDJFRGPU-IBGZPJMESA-N 1 3 348.535 2.840 20 0 EFADHO CN(C)C1CC[NH+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171885003 1285874103 /nfs/dbraw/zinc/87/41/03/1285874103.db2.gz HODUSKVVCVKVAB-IBGZPJMESA-N 1 3 329.488 2.707 20 0 EFADHO CN(C)C1CC[NH+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)CC1 ZINC001171885005 1285874633 /nfs/dbraw/zinc/87/46/33/1285874633.db2.gz HODUSKVVCVKVAB-LJQANCHMSA-N 1 3 329.488 2.707 20 0 EFADHO C[C@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974708 1285958595 /nfs/dbraw/zinc/95/85/95/1285958595.db2.gz IUJIZOXKFPNLSL-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974708 1285958602 /nfs/dbraw/zinc/95/86/02/1285958602.db2.gz IUJIZOXKFPNLSL-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987379 1285966094 /nfs/dbraw/zinc/96/60/94/1285966094.db2.gz UKJDYNGMBYUHIA-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987379 1285966095 /nfs/dbraw/zinc/96/60/95/1285966095.db2.gz UKJDYNGMBYUHIA-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CN1C[C@@H]2C[N@H+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171987782 1285967218 /nfs/dbraw/zinc/96/72/18/1285967218.db2.gz JIKVQEGRXDICAI-ZCNNSNEGSA-N 1 3 327.516 2.923 20 0 EFADHO CN1C[C@@H]2C[N@@H+]([C@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171987782 1285967221 /nfs/dbraw/zinc/96/72/21/1285967221.db2.gz JIKVQEGRXDICAI-ZCNNSNEGSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001133819444 1285973574 /nfs/dbraw/zinc/97/35/74/1285973574.db2.gz CAZLPRIHBGDLHY-GUYCJALGSA-N 1 3 335.879 2.517 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001133819925 1285975037 /nfs/dbraw/zinc/97/50/37/1285975037.db2.gz RTFJNTFMTXRIEX-ZSQCLPQSSA-N 1 3 335.879 2.543 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)c(C)c1C ZINC001133819885 1285975653 /nfs/dbraw/zinc/97/56/53/1285975653.db2.gz QGAOBTXLCOETOM-CQSZACIVSA-N 1 3 345.531 2.919 20 0 EFADHO NC(=O)[C@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074109 1285993685 /nfs/dbraw/zinc/99/36/85/1285993685.db2.gz FQYPQJCYUMTLHE-FUMNGEBKSA-N 1 3 341.499 2.912 20 0 EFADHO NC(=O)[C@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074109 1285993692 /nfs/dbraw/zinc/99/36/92/1285993692.db2.gz FQYPQJCYUMTLHE-FUMNGEBKSA-N 1 3 341.499 2.912 20 0 EFADHO O=C1CCC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001172080421 1285998290 /nfs/dbraw/zinc/99/82/90/1285998290.db2.gz VULYNXHVNPXTSG-LWYYNNOASA-N 1 3 341.499 2.830 20 0 EFADHO O=C1CCC[C@@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001172080421 1285998296 /nfs/dbraw/zinc/99/82/96/1285998296.db2.gz VULYNXHVNPXTSG-LWYYNNOASA-N 1 3 341.499 2.830 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087240 1286002231 /nfs/dbraw/zinc/00/22/31/1286002231.db2.gz GPBPISIJCQNJPH-JONQDZQNSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087240 1286002236 /nfs/dbraw/zinc/00/22/36/1286002236.db2.gz GPBPISIJCQNJPH-JONQDZQNSA-N 1 3 325.497 2.834 20 0 EFADHO CCc1cccc(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133850681 1286012989 /nfs/dbraw/zinc/01/29/89/1286012989.db2.gz PYLDXRROIJJOPG-FQEVSTJZSA-N 1 3 349.494 2.667 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CC1)OC(=O)c1ccncc13)C2 ZINC001172129870 1286013084 /nfs/dbraw/zinc/01/30/84/1286013084.db2.gz LPAIEWUJSTZZQV-ZSHCYNCHSA-N 1 3 341.455 2.558 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC3(CC1)OC(=O)c1ccncc13)C2 ZINC001172129870 1286013088 /nfs/dbraw/zinc/01/30/88/1286013088.db2.gz LPAIEWUJSTZZQV-ZSHCYNCHSA-N 1 3 341.455 2.558 20 0 EFADHO Cc1cc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001172132788 1286016011 /nfs/dbraw/zinc/01/60/11/1286016011.db2.gz NZIRCRYNLAURLF-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001172132788 1286016015 /nfs/dbraw/zinc/01/60/15/1286016015.db2.gz NZIRCRYNLAURLF-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001133845874 1286023878 /nfs/dbraw/zinc/02/38/78/1286023878.db2.gz PDQODDMUEQYMQE-WMLDXEAASA-N 1 3 337.895 2.839 20 0 EFADHO COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001172110001 1286024135 /nfs/dbraw/zinc/02/41/35/1286024135.db2.gz IEKLGSVSMCIEEV-BMFAXAFESA-N 1 3 346.471 2.904 20 0 EFADHO COCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC001172114623 1286024948 /nfs/dbraw/zinc/02/49/48/1286024948.db2.gz OWKHQCNXDCRALJ-OSYLJGHBSA-N 1 3 336.451 2.956 20 0 EFADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC001172114620 1286025132 /nfs/dbraw/zinc/02/51/32/1286025132.db2.gz OWKHQCNXDCRALJ-BJWYYQGGSA-N 1 3 336.451 2.956 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC3(C1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172117362 1286027102 /nfs/dbraw/zinc/02/71/02/1286027102.db2.gz GLEZBUKBQROFHV-BJWYYQGGSA-N 1 3 349.519 2.945 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3nc4ccccc4o3)CC1)C2 ZINC001172123120 1286031512 /nfs/dbraw/zinc/03/15/12/1286031512.db2.gz YEHGWHLDCNVLKM-FVQHAEBGSA-N 1 3 340.471 2.965 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)c1ccccc1 ZINC001133856815 1286032529 /nfs/dbraw/zinc/03/25/29/1286032529.db2.gz RUJWIKJLCKSFIZ-DNVCBOLYSA-N 1 3 335.467 2.666 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC001133856783 1286033094 /nfs/dbraw/zinc/03/30/94/1286033094.db2.gz QVUTXMPQCORSTF-FQEVSTJZSA-N 1 3 349.494 2.722 20 0 EFADHO O=C1CC[C@@H]2C[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)CCN12 ZINC001172154887 1286040480 /nfs/dbraw/zinc/04/04/80/1286040480.db2.gz IXOYKEOHLGGLFH-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001165719025 1312670044 /nfs/dbraw/zinc/67/00/44/1312670044.db2.gz XMZPJUHUGRFFAM-IAGOWNOFSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133894228 1286071976 /nfs/dbraw/zinc/07/19/76/1286071976.db2.gz YNHBUPQLORHBNW-UHFFFAOYSA-N 1 3 337.895 2.586 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001133897062 1286077443 /nfs/dbraw/zinc/07/74/43/1286077443.db2.gz XLGJTSSHZYUNGF-KRWDZBQOSA-N 1 3 349.906 2.765 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001172253836 1286084006 /nfs/dbraw/zinc/08/40/06/1286084006.db2.gz CYCRZUBNPQNTKA-FQEVSTJZSA-N 1 3 332.488 2.778 20 0 EFADHO COCCC[NH+]1CCC(N2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001172254051 1286084475 /nfs/dbraw/zinc/08/44/75/1286084475.db2.gz HZCBZLGHXJEPSD-KRWDZBQOSA-N 1 3 340.508 2.684 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC001165718609 1312670099 /nfs/dbraw/zinc/67/00/99/1312670099.db2.gz MTRMOWRGLWFPOJ-GOSISDBHSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H]1C ZINC001172377893 1286117931 /nfs/dbraw/zinc/11/79/31/1286117931.db2.gz ZOIUUVPMDJVDHC-AOIWGVFYSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H]1C ZINC001172377893 1286117937 /nfs/dbraw/zinc/11/79/37/1286117937.db2.gz ZOIUUVPMDJVDHC-AOIWGVFYSA-N 1 3 345.531 2.635 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]CCc1cccc(Cl)c1Cl)N(C)C ZINC001133965842 1286172258 /nfs/dbraw/zinc/17/22/58/1286172258.db2.gz MFVXOEKXELHYHA-AWEZNQCLSA-N 1 3 346.302 2.582 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665208 1286237368 /nfs/dbraw/zinc/23/73/68/1286237368.db2.gz WKMADZGDRPBYKT-IPMKNSEASA-N 1 3 329.488 2.640 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665208 1286237376 /nfs/dbraw/zinc/23/73/76/1286237376.db2.gz WKMADZGDRPBYKT-IPMKNSEASA-N 1 3 329.488 2.640 20 0 EFADHO CCCC[N@H+](C)CCCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172666798 1286238388 /nfs/dbraw/zinc/23/83/88/1286238388.db2.gz ZHDYKBWONCULOJ-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CCCC[N@@H+](C)CCCN[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172666798 1286238399 /nfs/dbraw/zinc/23/83/99/1286238399.db2.gz ZHDYKBWONCULOJ-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@H+](CC3CCOCC3)C1)C2 ZINC001172717877 1286246488 /nfs/dbraw/zinc/24/64/88/1286246488.db2.gz UGABNSLDXOAWPH-RTBURBONSA-N 1 3 334.891 2.898 20 0 EFADHO Clc1ccc2c(c1)C[C@H](N[C@@H]1CC[N@@H+](CC3CCOCC3)C1)C2 ZINC001172717877 1286246498 /nfs/dbraw/zinc/24/64/98/1286246498.db2.gz UGABNSLDXOAWPH-RTBURBONSA-N 1 3 334.891 2.898 20 0 EFADHO CO[C@@H]1CCC[C@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)C1 ZINC001172939358 1286343803 /nfs/dbraw/zinc/34/38/03/1286343803.db2.gz UKBUAMXNKSMJMF-RBUKOAKNSA-N 1 3 346.519 2.808 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@H](OC)C1)C2 ZINC001172939598 1286344306 /nfs/dbraw/zinc/34/43/06/1286344306.db2.gz ROVPEMWNROXZFI-ZGXWSNOMSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@H](OC)C1)C2 ZINC001172939598 1286344311 /nfs/dbraw/zinc/34/43/11/1286344311.db2.gz ROVPEMWNROXZFI-ZGXWSNOMSA-N 1 3 336.520 2.624 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC001173111922 1286415341 /nfs/dbraw/zinc/41/53/41/1286415341.db2.gz NIWCHRKCKJKOGW-UHFFFAOYSA-N 1 3 345.535 2.868 20 0 EFADHO CN(C)CCN1CC[N@@H+](C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173120526 1286416656 /nfs/dbraw/zinc/41/66/56/1286416656.db2.gz GBMGBGCPRKAPKV-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1CC[N@H+](C2CCC3(CCCCC3)CC2)CCC1=O ZINC001173120526 1286416660 /nfs/dbraw/zinc/41/66/60/1286416660.db2.gz GBMGBGCPRKAPKV-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062650 1286472274 /nfs/dbraw/zinc/47/22/74/1286472274.db2.gz PITDRFAXZDBGGK-JQHSSLGASA-N 1 3 329.488 2.739 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369173 1286639801 /nfs/dbraw/zinc/63/98/01/1286639801.db2.gz HTOLPGDSRBQLLI-VMFRVMOISA-N 1 3 329.916 2.876 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccn1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369843 1286640758 /nfs/dbraw/zinc/64/07/58/1286640758.db2.gz SRLUSGFXUZAPGF-IAGOWNOFSA-N 1 3 346.519 2.719 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C(=O)OC)cc3)C[C@H]2C1 ZINC001173735681 1286770835 /nfs/dbraw/zinc/77/08/35/1286770835.db2.gz QVALLHCCBSWHAQ-KFKAGJAMSA-N 1 3 330.472 2.678 20 0 EFADHO O=C(NCCCCCCC[NH+]1CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000747953438 1286771688 /nfs/dbraw/zinc/77/16/88/1286771688.db2.gz ASIGLXDZDCENDG-KRWDZBQOSA-N 1 3 336.524 2.569 20 0 EFADHO c1nnn([C@@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC001173751967 1286776776 /nfs/dbraw/zinc/77/67/76/1286776776.db2.gz NTMCDMBENOPDSZ-SJLPKXTDSA-N 1 3 332.496 2.544 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001134583048 1286916495 /nfs/dbraw/zinc/91/64/95/1286916495.db2.gz DKJDBHQQNCISSJ-KBPBESRZSA-N 1 3 337.533 2.914 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001134583269 1286916746 /nfs/dbraw/zinc/91/67/46/1286916746.db2.gz HVRJLUCDXYEKSJ-HOTGVXAUSA-N 1 3 335.536 2.924 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583583 1286917672 /nfs/dbraw/zinc/91/76/72/1286917672.db2.gz MLOUYFBZOMHLLD-HOTGVXAUSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001134584503 1286918633 /nfs/dbraw/zinc/91/86/33/1286918633.db2.gz URISDKMFJVPDMC-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CCc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134584165 1286918915 /nfs/dbraw/zinc/91/89/15/1286918915.db2.gz RDTKQUBQGRTCAW-HOTGVXAUSA-N 1 3 349.494 2.725 20 0 EFADHO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134607647 1286967090 /nfs/dbraw/zinc/96/70/90/1286967090.db2.gz JEQFOCRMKVWRKF-CVEARBPZSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)n1 ZINC001134608180 1286968844 /nfs/dbraw/zinc/96/88/44/1286968844.db2.gz RTXAAYJUNMYQDO-HOTGVXAUSA-N 1 3 346.519 2.556 20 0 EFADHO C[NH+](C)CCn1cc(NC2=CCCN(Cc3ccccc3)C2)cn1 ZINC001174392869 1286985111 /nfs/dbraw/zinc/98/51/11/1286985111.db2.gz LDLSZHZTBXWWKT-UHFFFAOYSA-N 1 3 325.460 2.646 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCCCCNC/C(Cl)=C/Cl ZINC001179399702 1289122841 /nfs/dbraw/zinc/12/28/41/1289122841.db2.gz FIUKJBWKFXLJOE-OWBHPGMISA-N 1 3 338.323 2.913 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001174692484 1287113151 /nfs/dbraw/zinc/11/31/51/1287113151.db2.gz UEXYPRILXSRRAP-CQSZACIVSA-N 1 3 340.471 2.606 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001174684093 1287113815 /nfs/dbraw/zinc/11/38/15/1287113815.db2.gz YZHKBAUCVFMFTL-QGZVFWFLSA-N 1 3 344.434 2.573 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001174690994 1287114580 /nfs/dbraw/zinc/11/45/80/1287114580.db2.gz GHUWNBRAKMRBLZ-UHFFFAOYSA-N 1 3 342.487 2.755 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccccc1C(C)C ZINC001174692491 1287114992 /nfs/dbraw/zinc/11/49/92/1287114992.db2.gz UOHNTDHYRHYVNM-UHFFFAOYSA-N 1 3 328.460 2.680 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134758986 1287154056 /nfs/dbraw/zinc/15/40/56/1287154056.db2.gz DTEVEQQATYBODJ-LJQANCHMSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001134759659 1287155073 /nfs/dbraw/zinc/15/50/73/1287155073.db2.gz XDGVVFQGZREJCX-SFHVURJKSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001134759659 1287155078 /nfs/dbraw/zinc/15/50/78/1287155078.db2.gz XDGVVFQGZREJCX-SFHVURJKSA-N 1 3 343.471 2.902 20 0 EFADHO Cc1ccc(CCC[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001134763397 1287159897 /nfs/dbraw/zinc/15/98/97/1287159897.db2.gz XFJIRBUGVHRLHR-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001134762749 1287159998 /nfs/dbraw/zinc/15/99/98/1287159998.db2.gz FHJHSUXLTBQHFG-CQSZACIVSA-N 1 3 337.430 2.688 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001134766814 1287163789 /nfs/dbraw/zinc/16/37/89/1287163789.db2.gz MUMRWQOFVNJQNL-RTBURBONSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001134767068 1287163980 /nfs/dbraw/zinc/16/39/80/1287163980.db2.gz RJSYWHNGYVLFMC-CVEARBPZSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001134766365 1287163998 /nfs/dbraw/zinc/16/39/98/1287163998.db2.gz GGRCMUQFBZZHAT-JKSUJKDBSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001134769330 1287166632 /nfs/dbraw/zinc/16/66/32/1287166632.db2.gz KMFPWMCZRUTVLP-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001134772909 1287169894 /nfs/dbraw/zinc/16/98/94/1287169894.db2.gz JCESPIAUXIYHCO-CABCVRRESA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC001134772394 1287170007 /nfs/dbraw/zinc/17/00/07/1287170007.db2.gz CTRAWKSETOPREQ-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC001134772394 1287170012 /nfs/dbraw/zinc/17/00/12/1287170012.db2.gz CTRAWKSETOPREQ-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccsc1 ZINC001134773078 1287170371 /nfs/dbraw/zinc/17/03/71/1287170371.db2.gz KNUIALITBMUSPJ-KGLIPLIRSA-N 1 3 325.522 2.851 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001134773667 1287171393 /nfs/dbraw/zinc/17/13/93/1287171393.db2.gz QFUKEAHHCSVMNL-NWDGAFQWSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001134774368 1287171756 /nfs/dbraw/zinc/17/17/56/1287171756.db2.gz XUYZGXNSNJHEJB-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001134774070 1287171932 /nfs/dbraw/zinc/17/19/32/1287171932.db2.gz URWDLBNOFMCQEY-IRXDYDNUSA-N 1 3 333.520 2.832 20 0 EFADHO C[C@@H](NCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001134754477 1287172732 /nfs/dbraw/zinc/17/27/32/1287172732.db2.gz PLZLIEWGBVWSTB-CVEARBPZSA-N 1 3 335.467 2.857 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483664 1287196138 /nfs/dbraw/zinc/19/61/38/1287196138.db2.gz KRHDVDIFZZBPFX-ZSYWTGECSA-N 1 3 343.515 2.914 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N(C)CC ZINC001114483664 1287196144 /nfs/dbraw/zinc/19/61/44/1287196144.db2.gz KRHDVDIFZZBPFX-ZSYWTGECSA-N 1 3 343.515 2.914 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430833 1289138389 /nfs/dbraw/zinc/13/83/89/1289138389.db2.gz HAPCRXZVGDZHKB-YOEHRIQHSA-N 1 3 349.906 2.761 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176277339 1287919139 /nfs/dbraw/zinc/91/91/39/1287919139.db2.gz CKJXOYCZYXXSPM-MRXNPFEDSA-N 1 3 337.483 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)nc1C ZINC001176277480 1287919913 /nfs/dbraw/zinc/91/99/13/1287919913.db2.gz FTIZHKAKQHWLNS-INIZCTEOSA-N 1 3 348.535 2.805 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ns1 ZINC001176285019 1287923189 /nfs/dbraw/zinc/92/31/89/1287923189.db2.gz LFHMZJLHQCHIMU-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ns1 ZINC001176285018 1287923261 /nfs/dbraw/zinc/92/32/61/1287923261.db2.gz LFHMZJLHQCHIMU-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001176285726 1287923462 /nfs/dbraw/zinc/92/34/62/1287923462.db2.gz PXSLZMZRWGXPHR-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001176292558 1287926011 /nfs/dbraw/zinc/92/60/11/1287926011.db2.gz KZSISFRMRHQZSP-GOSISDBHSA-N 1 3 349.519 2.672 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176350451 1287960297 /nfs/dbraw/zinc/96/02/97/1287960297.db2.gz DWZAFGAZQWCDJE-AWEZNQCLSA-N 1 3 346.450 2.865 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CCCCCF ZINC001176352007 1287961005 /nfs/dbraw/zinc/96/10/05/1287961005.db2.gz YQKKDMVKHZAXMX-AWEZNQCLSA-N 1 3 326.460 2.665 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176351599 1287961478 /nfs/dbraw/zinc/96/14/78/1287961478.db2.gz VJNDKNXJNHGZGP-AWEZNQCLSA-N 1 3 346.450 2.865 20 0 EFADHO CC(C)OCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481572 1288037002 /nfs/dbraw/zinc/03/70/02/1288037002.db2.gz VNQFFUKMDNZRCS-IRXDYDNUSA-N 1 3 343.556 2.652 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001135513275 1288069933 /nfs/dbraw/zinc/06/99/33/1288069933.db2.gz KLSOFXLOVBGUKE-ZDUSSCGKSA-N 1 3 345.409 2.814 20 0 EFADHO Cc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001176754908 1288120196 /nfs/dbraw/zinc/12/01/96/1288120196.db2.gz ZZUAINRDKRBWNG-MRXNPFEDSA-N 1 3 348.535 2.803 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001176753691 1288120507 /nfs/dbraw/zinc/12/05/07/1288120507.db2.gz KSVFJNKGTDYRSU-FYQHACEVSA-N 1 3 338.323 2.910 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCOC ZINC001176758461 1288121256 /nfs/dbraw/zinc/12/12/56/1288121256.db2.gz CKQOBKQVZXEHED-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176758407 1288121745 /nfs/dbraw/zinc/12/17/45/1288121745.db2.gz BAMUJJUIYSYFSB-RBYQPQOCSA-N 1 3 329.916 2.878 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176758409 1288121782 /nfs/dbraw/zinc/12/17/82/1288121782.db2.gz BAMUJJUIYSYFSB-ZVYLKZBJSA-N 1 3 329.916 2.878 20 0 EFADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760160 1288122646 /nfs/dbraw/zinc/12/26/46/1288122646.db2.gz QQQCTPQURBASNR-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001176760513 1288124098 /nfs/dbraw/zinc/12/40/98/1288124098.db2.gz ZEJAMRSDGXTIOV-GOSISDBHSA-N 1 3 349.519 2.670 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)c(Cl)c1 ZINC001179482887 1289160141 /nfs/dbraw/zinc/16/01/41/1289160141.db2.gz ZMMIQNIIDZDGDR-YOEHRIQHSA-N 1 3 337.895 2.679 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccccc1Cl ZINC001179489605 1289161328 /nfs/dbraw/zinc/16/13/28/1289161328.db2.gz CRRBDWDFHAHPMN-ZQIUZPCESA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1cc(F)ccc1F ZINC001179490144 1289161391 /nfs/dbraw/zinc/16/13/91/1289161391.db2.gz KCDLXJOEDZIZNE-IGCXYCKISA-N 1 3 339.430 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001176948073 1288191203 /nfs/dbraw/zinc/19/12/03/1288191203.db2.gz FCQUGETZMZGMRF-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001176975674 1288203252 /nfs/dbraw/zinc/20/32/52/1288203252.db2.gz SRTGHOKPJOSPEP-UHFFFAOYSA-N 1 3 327.472 2.776 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001176974828 1288203303 /nfs/dbraw/zinc/20/33/03/1288203303.db2.gz CMFHDYZNDVRLAE-UHFFFAOYSA-N 1 3 339.911 2.709 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCCC(F)(F)F ZINC001176986433 1288207788 /nfs/dbraw/zinc/20/77/88/1288207788.db2.gz OANLJBHFXMKBCX-CQSZACIVSA-N 1 3 337.430 2.689 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001176986305 1288208273 /nfs/dbraw/zinc/20/82/73/1288208273.db2.gz KAJZUCTVCBEMHR-IBGZPJMESA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1c(C)cccc1C ZINC001176986198 1288208470 /nfs/dbraw/zinc/20/84/70/1288208470.db2.gz HIWILNLOQQIGOJ-LJQANCHMSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1 ZINC001176986814 1288208505 /nfs/dbraw/zinc/20/85/05/1288208505.db2.gz WRCWKZFSJDKUHB-IBGZPJMESA-N 1 3 346.519 2.675 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001176986884 1288208527 /nfs/dbraw/zinc/20/85/27/1288208527.db2.gz XOGWMHSJHSBABG-KEEQEYLASA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001176986798 1288208550 /nfs/dbraw/zinc/20/85/50/1288208550.db2.gz WGJKHTNPDCPXNS-FQEVSTJZSA-N 1 3 345.531 2.980 20 0 EFADHO CCc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001176992039 1288216239 /nfs/dbraw/zinc/21/62/39/1288216239.db2.gz HTSGTXNBKMNYHP-FQEVSTJZSA-N 1 3 345.531 2.762 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001176991833 1288216470 /nfs/dbraw/zinc/21/64/70/1288216470.db2.gz FLICASHZXMAHSW-GOSISDBHSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C)ccc1F ZINC001176992044 1288216935 /nfs/dbraw/zinc/21/69/35/1288216935.db2.gz HVEQGVAANLRVDB-GOSISDBHSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001176992779 1288217595 /nfs/dbraw/zinc/21/75/95/1288217595.db2.gz ZSVRACRXHHRTHJ-YJBOKZPZSA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001176992605 1288217652 /nfs/dbraw/zinc/21/76/52/1288217652.db2.gz VMVSGUNWJWQMDN-QGZVFWFLSA-N 1 3 337.533 2.835 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001176992508 1288217734 /nfs/dbraw/zinc/21/77/34/1288217734.db2.gz RSCUAGMOHWTZBP-CRAIPNDOSA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176992263 1288218348 /nfs/dbraw/zinc/21/83/48/1288218348.db2.gz KWRIWGNCAIVFLV-LJQANCHMSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001176992511 1288218381 /nfs/dbraw/zinc/21/83/81/1288218381.db2.gz RSCUAGMOHWTZBP-YJBOKZPZSA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001176992332 1288218939 /nfs/dbraw/zinc/21/89/39/1288218939.db2.gz MMOFZTXYOBIYCU-HZPDHXFCSA-N 1 3 345.478 2.782 20 0 EFADHO CCN(CC(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1)C1CC1 ZINC000816767264 1288269400 /nfs/dbraw/zinc/26/94/00/1288269400.db2.gz SXLDEKBNOKZQDJ-UHFFFAOYSA-N 1 3 342.443 2.846 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135706137 1288290805 /nfs/dbraw/zinc/29/08/05/1288290805.db2.gz PFTRIEZOVUCMDM-IRXDYDNUSA-N 1 3 345.531 2.890 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001135706104 1288290971 /nfs/dbraw/zinc/29/09/71/1288290971.db2.gz OXMYOHUBMFVFRV-QZTJIDSGSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135706583 1288291022 /nfs/dbraw/zinc/29/10/22/1288291022.db2.gz WTGKKBVFUHQYAI-CVEARBPZSA-N 1 3 344.503 2.883 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135706018 1288291287 /nfs/dbraw/zinc/29/12/87/1288291287.db2.gz NHQQTCCTVCBKNI-ZIAGYGMSSA-N 1 3 325.522 2.771 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135746630 1288327229 /nfs/dbraw/zinc/32/72/29/1288327229.db2.gz IPZLQWUYPVUYMR-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499188 1289171604 /nfs/dbraw/zinc/17/16/04/1289171604.db2.gz OJSLWAGXQMQWIB-LJQANCHMSA-N 1 3 348.535 2.742 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177331093 1288395473 /nfs/dbraw/zinc/39/54/73/1288395473.db2.gz XEWLPAFNMNIVKT-QGZVFWFLSA-N 1 3 347.494 2.634 20 0 EFADHO CC[C@@H](C(=O)N(CCC[NH2+]CC(C)C)CC1CCCC1)N(C)C ZINC001177420000 1288425525 /nfs/dbraw/zinc/42/55/25/1288425525.db2.gz ZKLKLELACAGTTF-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]C/C=C/Cl)CC1CCCC1 ZINC001177431034 1288437490 /nfs/dbraw/zinc/43/74/90/1288437490.db2.gz HROFUNPTLPJBOA-XVNBXDOJSA-N 1 3 338.883 2.703 20 0 EFADHO CC(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203257573 1288505580 /nfs/dbraw/zinc/50/55/80/1288505580.db2.gz NCHTWADDQODDQG-IAGOWNOFSA-N 1 3 335.536 2.924 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl ZINC001178045023 1288635375 /nfs/dbraw/zinc/63/53/75/1288635375.db2.gz ANTRXEKLAXOWKU-FZDNWWAKSA-N 1 3 336.307 2.666 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC001137655663 1288662643 /nfs/dbraw/zinc/66/26/43/1288662643.db2.gz ZEMKDEFZFISSEL-UHFFFAOYSA-N 1 3 339.886 2.939 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1ccc(C)cc1 ZINC001135979488 1288704299 /nfs/dbraw/zinc/70/42/99/1288704299.db2.gz GUXOJZLAQBOVGK-QZTJIDSGSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135979902 1288705597 /nfs/dbraw/zinc/70/55/97/1288705597.db2.gz KCIUXIVLYMWTHU-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001016250043 1312680536 /nfs/dbraw/zinc/68/05/36/1312680536.db2.gz MEDLUBVATPUNJQ-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001016250043 1312680541 /nfs/dbraw/zinc/68/05/41/1312680541.db2.gz MEDLUBVATPUNJQ-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178689382 1288872540 /nfs/dbraw/zinc/87/25/40/1288872540.db2.gz WJSKJVHEVJKVHX-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178689595 1288872554 /nfs/dbraw/zinc/87/25/54/1288872554.db2.gz RXBJVAOVKNPYOH-MELADBBJSA-N 1 3 348.318 2.757 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178689595 1288872555 /nfs/dbraw/zinc/87/25/55/1288872555.db2.gz RXBJVAOVKNPYOH-MELADBBJSA-N 1 3 348.318 2.757 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001178698865 1288876770 /nfs/dbraw/zinc/87/67/70/1288876770.db2.gz XOWPQENOHFHVNU-IBGZPJMESA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001016250044 1312680403 /nfs/dbraw/zinc/68/04/03/1312680403.db2.gz MEDLUBVATPUNJQ-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001016250044 1312680407 /nfs/dbraw/zinc/68/04/07/1312680407.db2.gz MEDLUBVATPUNJQ-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO C[NH+](C)CCC(=O)NCCCNCc1cc(Cl)sc1Cl ZINC001165781291 1312680409 /nfs/dbraw/zinc/68/04/09/1312680409.db2.gz ODIKCXUMHSLVNW-UHFFFAOYSA-N 1 3 338.304 2.603 20 0 EFADHO C[NH+](C)CCC(=O)NCCCNCc1c(Cl)oc2ccccc21 ZINC001165781141 1312680446 /nfs/dbraw/zinc/68/04/46/1312680446.db2.gz HYPWQYHPMRQHCB-UHFFFAOYSA-N 1 3 337.851 2.634 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255712 1312682694 /nfs/dbraw/zinc/68/26/94/1312682694.db2.gz OAZLBZHYKASEMF-CVEARBPZSA-N 1 3 343.496 2.544 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255712 1312682697 /nfs/dbraw/zinc/68/26/97/1312682697.db2.gz OAZLBZHYKASEMF-CVEARBPZSA-N 1 3 343.496 2.544 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CC[C@H]1CCCO1 ZINC001178853111 1288942634 /nfs/dbraw/zinc/94/26/34/1288942634.db2.gz BQXNSHQZLQAZHE-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001178853190 1288943266 /nfs/dbraw/zinc/94/32/66/1288943266.db2.gz DFVJODQTZUFTOU-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCOCC(C)C ZINC001178853989 1288943749 /nfs/dbraw/zinc/94/37/49/1288943749.db2.gz RVQVLJRISXHKBN-UHFFFAOYSA-N 1 3 343.556 2.656 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccns1 ZINC001178853953 1288943982 /nfs/dbraw/zinc/94/39/82/1288943982.db2.gz QOLYNRGCYUEUAP-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@@H]1CCCCO1 ZINC001178854151 1288944166 /nfs/dbraw/zinc/94/41/66/1288944166.db2.gz VXZXATCOFOKDBJ-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001178815880 1288944932 /nfs/dbraw/zinc/94/49/32/1288944932.db2.gz MYXYXEWLCODVSK-MRXNPFEDSA-N 1 3 340.537 2.558 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001165809566 1312685513 /nfs/dbraw/zinc/68/55/13/1312685513.db2.gz KYNJZBKFNCAXOH-UHFFFAOYSA-N 1 3 337.430 2.545 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178925017 1288967888 /nfs/dbraw/zinc/96/78/88/1288967888.db2.gz AMDBLBLMSFGJLR-MJBXVCDLSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001178925017 1288967892 /nfs/dbraw/zinc/96/78/92/1288967892.db2.gz AMDBLBLMSFGJLR-MJBXVCDLSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001178902370 1288975519 /nfs/dbraw/zinc/97/55/19/1288975519.db2.gz NKPOMFQEGBJSCN-XHYTXEILSA-N 1 3 341.499 2.763 20 0 EFADHO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCN(C)CC3)nc1)CC2 ZINC001232361401 1312688083 /nfs/dbraw/zinc/68/80/83/1312688083.db2.gz XEVFDBUKEZPJRB-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCN(C)CC3)nc1)CC2 ZINC001232361401 1312688087 /nfs/dbraw/zinc/68/80/87/1312688087.db2.gz XEVFDBUKEZPJRB-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]2C)C1 ZINC001179538860 1289182135 /nfs/dbraw/zinc/18/21/35/1289182135.db2.gz JJKPRWVYZVFHOW-ILXRZTDVSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C/c3ccccc3)[C@@H]2C)C1 ZINC001179539161 1289183150 /nfs/dbraw/zinc/18/31/50/1289183150.db2.gz PZDDPSATEQGYPH-IYIYPWCISA-N 1 3 341.499 2.621 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)[C@@H]2C)C1 ZINC001179539348 1289183742 /nfs/dbraw/zinc/18/37/42/1289183742.db2.gz VNWMHURYKLVMAK-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CC2CC(F)(F)C2)C1 ZINC001179586573 1289189567 /nfs/dbraw/zinc/18/95/67/1289189567.db2.gz QPNKHZZMIDQLSW-OAHLLOKOSA-N 1 3 345.478 2.640 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccc(F)cc2)C1 ZINC001179586508 1289189814 /nfs/dbraw/zinc/18/98/14/1289189814.db2.gz PQSHOPYYKXEFKX-KRWDZBQOSA-N 1 3 349.494 2.934 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccsc2)C1 ZINC001179587368 1289189947 /nfs/dbraw/zinc/18/99/47/1289189947.db2.gz ZUTFJDRTGAOSCU-MRXNPFEDSA-N 1 3 337.533 2.856 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCCCCC[NH2+]CCCF)C1 ZINC001179591641 1289193187 /nfs/dbraw/zinc/19/31/87/1289193187.db2.gz ZIDPFOBGQONVAF-SFHVURJKSA-N 1 3 347.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC[C@H]1CCCCO1)N(C)C ZINC001179609016 1289198314 /nfs/dbraw/zinc/19/83/14/1289198314.db2.gz BWVXHJOKRQNAHF-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001232396262 1312693251 /nfs/dbraw/zinc/69/32/51/1312693251.db2.gz LVKCQXGGAAWVQM-VQTJNVASSA-N 1 3 345.531 2.992 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1 ZINC001232396262 1312693254 /nfs/dbraw/zinc/69/32/54/1312693254.db2.gz LVKCQXGGAAWVQM-VQTJNVASSA-N 1 3 345.531 2.992 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001179744234 1289255933 /nfs/dbraw/zinc/25/59/33/1289255933.db2.gz JCNVALVPCYHTGK-ZOCIIQOWSA-N 1 3 347.478 2.734 20 0 EFADHO CO[C@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746193 1289256592 /nfs/dbraw/zinc/25/65/92/1289256592.db2.gz QMLDGTQDZIWVPJ-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001179856520 1289287095 /nfs/dbraw/zinc/28/70/95/1289287095.db2.gz DFFHZONINANXAJ-YJBOKZPZSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)[C@@H]1C ZINC001179856520 1289287102 /nfs/dbraw/zinc/28/71/02/1289287102.db2.gz DFFHZONINANXAJ-YJBOKZPZSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001179860947 1289295772 /nfs/dbraw/zinc/29/57/72/1289295772.db2.gz DAWDUFNAQNYIFC-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001179860947 1289295776 /nfs/dbraw/zinc/29/57/76/1289295776.db2.gz DAWDUFNAQNYIFC-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H]1C ZINC001179982860 1289350200 /nfs/dbraw/zinc/35/02/00/1289350200.db2.gz FKPLDTFICQABRA-XHSDSOJGSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179982916 1289351290 /nfs/dbraw/zinc/35/12/90/1289351290.db2.gz HKTXONYTOFSPCH-LNLFQRSKSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)[C@@H]1C ZINC001179983319 1289352815 /nfs/dbraw/zinc/35/28/15/1289352815.db2.gz VZTNDYQQEXBWHZ-FFZOFVMBSA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)cc2)[C@@H]1C ZINC001179987483 1289353559 /nfs/dbraw/zinc/35/35/59/1289353559.db2.gz YSXNQBSXHBNGJP-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO c1cc2c(cc[nH+]c2N2CCCn3cnc(CNC4CCC4)c3C2)[nH]1 ZINC001165908239 1312703133 /nfs/dbraw/zinc/70/31/33/1312703133.db2.gz AJYRNYOOFMHAFK-UHFFFAOYSA-N 1 3 336.443 2.812 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4[C@H]3CCC[N@@H+]4C)c2cc1OC ZINC000872778196 1289376624 /nfs/dbraw/zinc/37/66/24/1289376624.db2.gz CVDLYMNTMLJZQW-DLBZAZTESA-N 1 3 327.428 2.925 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4[C@H]3CCC[N@H+]4C)c2cc1OC ZINC000872778196 1289376630 /nfs/dbraw/zinc/37/66/30/1289376630.db2.gz CVDLYMNTMLJZQW-DLBZAZTESA-N 1 3 327.428 2.925 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(OC)cc1 ZINC001180124303 1289427484 /nfs/dbraw/zinc/42/74/84/1289427484.db2.gz TWYHIHNMZWPXRY-UHFFFAOYSA-N 1 3 349.519 2.803 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(C)nc1C ZINC001180124527 1289427556 /nfs/dbraw/zinc/42/75/56/1289427556.db2.gz YYKVTCXGXCBKEO-UHFFFAOYSA-N 1 3 348.535 2.806 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001180204120 1289442917 /nfs/dbraw/zinc/44/29/17/1289442917.db2.gz HQJKSKVJEODMCS-ZWCJNJPNSA-N 1 3 335.879 2.693 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001232461649 1312709165 /nfs/dbraw/zinc/70/91/65/1312709165.db2.gz BXXXNKUWYOOUGR-FFZOFVMBSA-N 1 3 339.487 2.846 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001232461649 1312709169 /nfs/dbraw/zinc/70/91/69/1312709169.db2.gz BXXXNKUWYOOUGR-FFZOFVMBSA-N 1 3 339.487 2.846 20 0 EFADHO Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1 ZINC001180226640 1289450967 /nfs/dbraw/zinc/45/09/67/1289450967.db2.gz DRTDLNJECXJUJC-ICSRJNTNSA-N 1 3 345.531 2.847 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)C1 ZINC001180260409 1289468841 /nfs/dbraw/zinc/46/88/41/1289468841.db2.gz YNJOCDPHUWSVJA-LFGHMXSPSA-N 1 3 336.307 2.523 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)C1 ZINC001180260409 1289468845 /nfs/dbraw/zinc/46/88/45/1289468845.db2.gz YNJOCDPHUWSVJA-LFGHMXSPSA-N 1 3 336.307 2.523 20 0 EFADHO CCN(CC)CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001180390018 1289506861 /nfs/dbraw/zinc/50/68/61/1289506861.db2.gz VIXMCZMOWXQNCI-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCN(CC)CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001180390018 1289506867 /nfs/dbraw/zinc/50/68/67/1289506867.db2.gz VIXMCZMOWXQNCI-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180390773 1289507418 /nfs/dbraw/zinc/50/74/18/1289507418.db2.gz HHNFQBURENNLFZ-QAQDUYKDSA-N 1 3 335.467 2.766 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001180369547 1289515429 /nfs/dbraw/zinc/51/54/29/1289515429.db2.gz LCIIBTWJQHQYPO-SFHVURJKSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180369454 1289515869 /nfs/dbraw/zinc/51/58/69/1289515869.db2.gz GXLAJHJUGPFHRV-UHFFFAOYSA-N 1 3 333.520 2.836 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001180369642 1289515893 /nfs/dbraw/zinc/51/58/93/1289515893.db2.gz QFNLWNHORYDSOB-UHFFFAOYSA-N 1 3 337.483 2.932 20 0 EFADHO CC(C)[C@H](C(=O)NCCCN[C@H](C)c1nc2ccccc2o1)[NH+](C)C ZINC001166010948 1312717891 /nfs/dbraw/zinc/71/78/91/1312717891.db2.gz XCFPSOFDASLZBU-RHSMWYFYSA-N 1 3 346.475 2.571 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)cc1F)N(C)C ZINC001166010159 1312717929 /nfs/dbraw/zinc/71/79/29/1312717929.db2.gz IXLRNYXQXQMYHV-SUMWQHHRSA-N 1 3 341.446 2.708 20 0 EFADHO CCOC(=O)c1cc(CN2CCCC3(CC[NH+](C)CC3)C2)[nH]c1C ZINC000824333181 1289608068 /nfs/dbraw/zinc/60/80/68/1289608068.db2.gz UGQMIBQIFUPVIZ-UHFFFAOYSA-N 1 3 333.476 2.808 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000873190159 1289630643 /nfs/dbraw/zinc/63/06/43/1289630643.db2.gz WMDMGMKDNATQSN-HLAWJBBLSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000873190159 1289630654 /nfs/dbraw/zinc/63/06/54/1289630654.db2.gz WMDMGMKDNATQSN-HLAWJBBLSA-N 1 3 345.531 2.740 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001016332760 1312725601 /nfs/dbraw/zinc/72/56/01/1312725601.db2.gz SEJHWZNLFWKFDI-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001016332760 1312725605 /nfs/dbraw/zinc/72/56/05/1312725605.db2.gz SEJHWZNLFWKFDI-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO COc1ccc(OC)c([C@@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873289917 1289704425 /nfs/dbraw/zinc/70/44/25/1289704425.db2.gz MHABXTKEOFYSRR-ZBFHGGJFSA-N 1 3 334.460 2.513 20 0 EFADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000873289472 1289704647 /nfs/dbraw/zinc/70/46/47/1289704647.db2.gz IFMQIHGXKXMVIH-AAEUAGOBSA-N 1 3 328.378 2.913 20 0 EFADHO Fc1ccc2c(c1)[C@H](NC[C@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292926 1289707741 /nfs/dbraw/zinc/70/77/41/1289707741.db2.gz WNOHZNJXEZIVCS-NVXWUHKLSA-N 1 3 334.435 2.788 20 0 EFADHO c1c[nH]c([C@H](NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CCCCC2)n1 ZINC000873294562 1289708359 /nfs/dbraw/zinc/70/83/59/1289708359.db2.gz WSYGCHRSHCJSND-DLBZAZTESA-N 1 3 332.492 2.779 20 0 EFADHO Fc1cc2c(c(F)c1F)[C@H](NC[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873294401 1289708622 /nfs/dbraw/zinc/70/86/22/1289708622.db2.gz VSWAMZASEBHCMM-GXTWGEPZSA-N 1 3 340.389 2.840 20 0 EFADHO c1c[nH]c([C@@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C2CCCCC2)n1 ZINC000873294565 1289708638 /nfs/dbraw/zinc/70/86/38/1289708638.db2.gz WSYGCHRSHCJSND-SJORKVTESA-N 1 3 332.492 2.779 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181670464 1289895888 /nfs/dbraw/zinc/89/58/88/1289895888.db2.gz AHYVLMIPPFYINC-YVWKXTFCSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001181670501 1289896202 /nfs/dbraw/zinc/89/62/02/1289896202.db2.gz BIJPRUHGAKZZJK-QWFCFKBJSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCCCF ZINC001181754921 1289929479 /nfs/dbraw/zinc/92/94/79/1289929479.db2.gz IPYCBUFSRZUECB-HHXXYDBFSA-N 1 3 341.515 2.541 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754436 1289929730 /nfs/dbraw/zinc/92/97/30/1289929730.db2.gz AKUZWGGDTJSIOD-WUFOPFSCSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181754595 1289929878 /nfs/dbraw/zinc/92/98/78/1289929878.db2.gz DKWGWECONIMLQD-LKUPVBHCSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCCCF ZINC001181754922 1289930218 /nfs/dbraw/zinc/93/02/18/1289930218.db2.gz IPYCBUFSRZUECB-SZVBFZGTSA-N 1 3 341.515 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001181801080 1289942551 /nfs/dbraw/zinc/94/25/51/1289942551.db2.gz MALVAVXWKCFSSD-DFWKGLRPSA-N 1 3 337.552 2.693 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001181885462 1289990115 /nfs/dbraw/zinc/99/01/15/1289990115.db2.gz VAGICYFXFNNVKP-YFVAEKQCSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001181896524 1289993436 /nfs/dbraw/zinc/99/34/36/1289993436.db2.gz NIXXRHLFYXFLLL-YVWKXTFCSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001202539033 1290203381 /nfs/dbraw/zinc/20/33/81/1290203381.db2.gz HVOPKDGWVKTASU-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1)N(C)C ZINC001182517756 1290212579 /nfs/dbraw/zinc/21/25/79/1290212579.db2.gz WUULVVBSRYDVLH-ZHALLVOQSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001182623500 1290226113 /nfs/dbraw/zinc/22/61/13/1290226113.db2.gz MWQLYVUAYXRFEI-OXQOHEQNSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623176 1290226331 /nfs/dbraw/zinc/22/63/31/1290226331.db2.gz FSOJBLBZFDADBY-GPMSIDNRSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@H](F)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623683 1290227871 /nfs/dbraw/zinc/22/78/71/1290227871.db2.gz RASSQOPDTGNZNE-JTDSTZFVSA-N 1 3 341.515 2.541 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001182963748 1290280960 /nfs/dbraw/zinc/28/09/60/1290280960.db2.gz CXHGSPONJLJLKI-RTBURBONSA-N 1 3 349.494 2.674 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(C)c2)C1 ZINC001182933101 1290282088 /nfs/dbraw/zinc/28/20/88/1290282088.db2.gz IWKVXVBVZKVCQV-WIYYLYMNSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001182934151 1290282145 /nfs/dbraw/zinc/28/21/45/1290282145.db2.gz RKYOOBUMFMKNIG-YLJYHZDGSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CCCC2)C[C@H]1CC[NH3+] ZINC000903496407 1312771870 /nfs/dbraw/zinc/77/18/70/1312771870.db2.gz MRGDPNPEMKNEBP-QZTJIDSGSA-N 1 3 343.515 2.531 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@H](N3C[C@@H](C)[C@H](CC[NH3+])C3)C2=O)c1 ZINC000903497301 1312773922 /nfs/dbraw/zinc/77/39/22/1312773922.db2.gz UQKJPHZYWDUKDS-INMHGKMJSA-N 1 3 333.451 2.546 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000874829409 1290377302 /nfs/dbraw/zinc/37/73/02/1290377302.db2.gz LNXCYHVNDZKDCZ-RTBURBONSA-N 1 3 327.472 2.591 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000874829407 1290378661 /nfs/dbraw/zinc/37/86/61/1290378661.db2.gz LNXCYHVNDZKDCZ-OALUTQOASA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835693 1290381363 /nfs/dbraw/zinc/38/13/63/1290381363.db2.gz AUDMSIAJFURPSV-MOPGFXCFSA-N 1 3 336.439 2.556 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835693 1290381375 /nfs/dbraw/zinc/38/13/75/1290381375.db2.gz AUDMSIAJFURPSV-MOPGFXCFSA-N 1 3 336.439 2.556 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001183737853 1290389206 /nfs/dbraw/zinc/38/92/06/1290389206.db2.gz GUOZYWHHBZTKOR-MRXNPFEDSA-N 1 3 337.533 2.786 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000874845523 1290393352 /nfs/dbraw/zinc/39/33/52/1290393352.db2.gz VTGISGGHWGEYTF-XUVXKRRUSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000874845523 1290393364 /nfs/dbraw/zinc/39/33/64/1290393364.db2.gz VTGISGGHWGEYTF-XUVXKRRUSA-N 1 3 341.499 2.594 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCCNCc1cc2ccccc2o1 ZINC001151361510 1290393397 /nfs/dbraw/zinc/39/33/97/1290393397.db2.gz JRPOUZDBXDYHFG-UHFFFAOYSA-N 1 3 343.471 2.905 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508305 1312787754 /nfs/dbraw/zinc/78/77/54/1312787754.db2.gz BMPHGGCTMDNFPG-XYPHTWIQSA-N 1 3 335.442 2.926 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508305 1312787758 /nfs/dbraw/zinc/78/77/58/1312787758.db2.gz BMPHGGCTMDNFPG-XYPHTWIQSA-N 1 3 335.442 2.926 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508305 1312787759 /nfs/dbraw/zinc/78/77/59/1312787759.db2.gz BMPHGGCTMDNFPG-XYPHTWIQSA-N 1 3 335.442 2.926 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C ZINC001185167163 1290608005 /nfs/dbraw/zinc/60/80/05/1290608005.db2.gz COYSNAKMOLOOSZ-ROUUACIJSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185171842 1290608697 /nfs/dbraw/zinc/60/86/97/1290608697.db2.gz ZRUACOIJXNGUTN-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185171840 1290609360 /nfs/dbraw/zinc/60/93/60/1290609360.db2.gz ZRUACOIJXNGUTN-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cc2nc[nH]c2C)cs1 ZINC001037156394 1290610040 /nfs/dbraw/zinc/61/00/40/1290610040.db2.gz FRXFSACLRUZFSL-CVEARBPZSA-N 1 3 346.500 2.705 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001185361134 1290651410 /nfs/dbraw/zinc/65/14/10/1290651410.db2.gz UYQRQADWJDOYKH-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037158225 1290678863 /nfs/dbraw/zinc/67/88/63/1290678863.db2.gz SFGOCMODBYJXAG-SJORKVTESA-N 1 3 332.492 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001037158224 1290679266 /nfs/dbraw/zinc/67/92/66/1290679266.db2.gz SFGOCMODBYJXAG-IRXDYDNUSA-N 1 3 332.492 2.715 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247935359 1290693054 /nfs/dbraw/zinc/69/30/54/1290693054.db2.gz CJXLQRDHFMGNAH-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247935359 1290693063 /nfs/dbraw/zinc/69/30/63/1290693063.db2.gz CJXLQRDHFMGNAH-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001185536670 1290716268 /nfs/dbraw/zinc/71/62/68/1290716268.db2.gz ODCSEMZHXHXJJU-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC001185546230 1290716775 /nfs/dbraw/zinc/71/67/75/1290716775.db2.gz BHYFMHKGRBLJGZ-SJORKVTESA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185546185 1290717356 /nfs/dbraw/zinc/71/73/56/1290717356.db2.gz AOQMANLDPJZUFZ-ROUUACIJSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185546506 1290718075 /nfs/dbraw/zinc/71/80/75/1290718075.db2.gz CREPCRPWHKNZNW-PKOBYXMFSA-N 1 3 335.536 2.903 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626094 1312805582 /nfs/dbraw/zinc/80/55/82/1312805582.db2.gz ALRJOPIALBYKMJ-SFHVURJKSA-N 1 3 331.504 2.508 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166626480 1312805721 /nfs/dbraw/zinc/80/57/21/1312805721.db2.gz GVVLLNOKZUWLTG-KRWDZBQOSA-N 1 3 331.504 2.890 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c(Cl)c1 ZINC001166626806 1312806297 /nfs/dbraw/zinc/80/62/97/1312806297.db2.gz JVRWHVPWHJVNLN-HNNXBMFYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCc2ccccc21 ZINC001166627210 1312806389 /nfs/dbraw/zinc/80/63/89/1312806389.db2.gz SHCZRUHQUJRGLE-LPHOPBHVSA-N 1 3 329.488 2.644 20 0 EFADHO CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185742007 1290755352 /nfs/dbraw/zinc/75/53/52/1290755352.db2.gz QAKVGDYKROXPOM-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CCCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@H]1CCN(C)C1 ZINC000876028269 1290759646 /nfs/dbraw/zinc/75/96/46/1290759646.db2.gz RCZIYOIGPUICBV-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185752802 1290764489 /nfs/dbraw/zinc/76/44/89/1290764489.db2.gz UWQIROYWNSLAMS-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F ZINC001166634920 1312808345 /nfs/dbraw/zinc/80/83/45/1312808345.db2.gz YOXXDQSROWWKMS-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001166633917 1312808613 /nfs/dbraw/zinc/80/86/13/1312808613.db2.gz OACYXIHVAPXYDA-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166633840 1312808625 /nfs/dbraw/zinc/80/86/25/1312808625.db2.gz KKLVCDCUODXTBZ-MRXNPFEDSA-N 1 3 346.519 2.594 20 0 EFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC001273513538 1290817105 /nfs/dbraw/zinc/81/71/05/1290817105.db2.gz FFBFDHSHUBSHBJ-SFHVURJKSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001166627249 1312806898 /nfs/dbraw/zinc/80/68/98/1312806898.db2.gz TUVXCLRXAOIAJY-IEBWSBKVSA-N 1 3 343.515 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001166667855 1312814826 /nfs/dbraw/zinc/81/48/26/1312814826.db2.gz JRERYOKKECNUTQ-KRWDZBQOSA-N 1 3 345.531 2.922 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001166676636 1312816492 /nfs/dbraw/zinc/81/64/92/1312816492.db2.gz ACUWIMMGOIBQQN-KDOFPFPSSA-N 1 3 349.906 2.765 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001166678581 1312817086 /nfs/dbraw/zinc/81/70/86/1312817086.db2.gz WNPMLVQUOVNJPX-KRWDZBQOSA-N 1 3 331.504 2.577 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001166676863 1312817108 /nfs/dbraw/zinc/81/71/08/1312817108.db2.gz DJWVGNGTMXTBPO-DNVCBOLYSA-N 1 3 347.478 2.641 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001166677736 1312817255 /nfs/dbraw/zinc/81/72/55/1312817255.db2.gz MDQUBUIEBMYAFE-VQIMIIECSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001166677136 1312817396 /nfs/dbraw/zinc/81/73/96/1312817396.db2.gz FXMPJDHPEWMUHU-CQSZACIVSA-N 1 3 339.430 2.562 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC001166677203 1312817713 /nfs/dbraw/zinc/81/77/13/1312817713.db2.gz GXKWBEPUWYCBHF-KRWDZBQOSA-N 1 3 339.483 2.778 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001166678419 1312817763 /nfs/dbraw/zinc/81/77/63/1312817763.db2.gz VBSMSEPUBGFICD-PRCIHIDRSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166678877 1312818125 /nfs/dbraw/zinc/81/81/25/1312818125.db2.gz XRBXKWJETYZLHS-AWEZNQCLSA-N 1 3 337.895 2.586 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC2CCCCC2)C1 ZINC001166687494 1312820834 /nfs/dbraw/zinc/82/08/34/1312820834.db2.gz UDPZBJOAIUSAKM-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001186488666 1290964376 /nfs/dbraw/zinc/96/43/76/1290964376.db2.gz RADYJGYAABJCEF-YRVHBARZSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)N2CCCC2)cc1 ZINC000876740100 1290998107 /nfs/dbraw/zinc/99/81/07/1290998107.db2.gz GTMTWDLWCUFJTM-ZVDOUQERSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166736105 1312831401 /nfs/dbraw/zinc/83/14/01/1312831401.db2.gz DNNRRPZKKXZQGB-QGZVFWFLSA-N 1 3 331.504 2.884 20 0 EFADHO COc1cccc([C@H](C)[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166736827 1312831910 /nfs/dbraw/zinc/83/19/10/1312831910.db2.gz UNNNKYIZYXKYIE-INIZCTEOSA-N 1 3 347.503 2.584 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166736738 1312831939 /nfs/dbraw/zinc/83/19/39/1312831939.db2.gz SHJPPBZDOKXBAJ-UHFFFAOYSA-N 1 3 345.531 2.755 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(Cl)s1)CC(C)(C)C ZINC001166743995 1312832664 /nfs/dbraw/zinc/83/26/64/1312832664.db2.gz CHGZDXSFZLNMMS-UHFFFAOYSA-N 1 3 345.940 2.975 20 0 EFADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744375 1312832944 /nfs/dbraw/zinc/83/29/44/1312832944.db2.gz TXBJFSCIEHFIIY-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1sccc1Cl)CC(C)(C)C ZINC001166744451 1312833177 /nfs/dbraw/zinc/83/31/77/1312833177.db2.gz XNDIJKYGZANFOT-UHFFFAOYSA-N 1 3 345.940 2.975 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CCCc1ccsc1)CC(C)(C)C ZINC001166744237 1312833445 /nfs/dbraw/zinc/83/34/45/1312833445.db2.gz MYBXUYIKERGNEX-UHFFFAOYSA-N 1 3 339.549 2.755 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1)CC(C)(C)C ZINC001166744332 1312833459 /nfs/dbraw/zinc/83/34/59/1312833459.db2.gz QXFMHZOPRSEYRR-OAHLLOKOSA-N 1 3 347.494 2.886 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001187276935 1291135286 /nfs/dbraw/zinc/13/52/86/1291135286.db2.gz XPDAAJBWVYFBCX-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001187276935 1291135291 /nfs/dbraw/zinc/13/52/91/1291135291.db2.gz XPDAAJBWVYFBCX-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130349 1291139475 /nfs/dbraw/zinc/13/94/75/1291139475.db2.gz LDMDFZRMNUYOAQ-XHDPSFHLSA-N 1 3 343.393 2.565 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001187323265 1291143711 /nfs/dbraw/zinc/14/37/11/1291143711.db2.gz ZHIKVMJOMDXRBP-GOSISDBHSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001187321525 1291143964 /nfs/dbraw/zinc/14/39/64/1291143964.db2.gz BYUBUUFNWGSARJ-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001187323015 1291144401 /nfs/dbraw/zinc/14/44/01/1291144401.db2.gz TXGBGTSYSLPQKD-MRXNPFEDSA-N 1 3 345.512 2.934 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001187329746 1291145875 /nfs/dbraw/zinc/14/58/75/1291145875.db2.gz UUJUTSHVEGYHDB-ZWKOTPCHSA-N 1 3 331.504 2.897 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166750915 1312835086 /nfs/dbraw/zinc/83/50/86/1312835086.db2.gz MMPBHAUMANSALX-MRXNPFEDSA-N 1 3 349.519 2.830 20 0 EFADHO CCc1ccccc1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166758034 1312836934 /nfs/dbraw/zinc/83/69/34/1312836934.db2.gz AAGBSKPSDLVQKM-UHFFFAOYSA-N 1 3 331.504 2.577 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3Cc4ccccc4CN3)cc21 ZINC000877339579 1291198736 /nfs/dbraw/zinc/19/87/36/1291198736.db2.gz COCNKFMKMMGVEA-QUCCMNQESA-N 1 3 349.478 2.510 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877443137 1291236689 /nfs/dbraw/zinc/23/66/89/1291236689.db2.gz AXLXKYFBGUGBTA-PKOBYXMFSA-N 1 3 335.536 2.865 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000877451143 1291238685 /nfs/dbraw/zinc/23/86/85/1291238685.db2.gz KALOTTGGBSVYFQ-WOJBJXKFSA-N 1 3 341.499 2.537 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000877451142 1291238695 /nfs/dbraw/zinc/23/86/95/1291238695.db2.gz KALOTTGGBSVYFQ-VQTJNVASSA-N 1 3 341.499 2.537 20 0 EFADHO C[C@@H](CCOCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000877499679 1291250299 /nfs/dbraw/zinc/25/02/99/1291250299.db2.gz SPQBSDQDEDLCPJ-SFHVURJKSA-N 1 3 333.520 2.597 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC001188139891 1291317063 /nfs/dbraw/zinc/31/70/63/1291317063.db2.gz UMXKNQFWSRSJIU-RHSMWYFYSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001188158498 1291333464 /nfs/dbraw/zinc/33/34/64/1291333464.db2.gz QLQBEYLQWKLIOZ-SJLPKXTDSA-N 1 3 349.906 2.858 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000877746637 1291356696 /nfs/dbraw/zinc/35/66/96/1291356696.db2.gz UWILXTWPUNIZDM-UHFFFAOYSA-N 1 3 343.515 2.687 20 0 EFADHO C[NH+](C)CCCC(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001166883543 1312860617 /nfs/dbraw/zinc/86/06/17/1312860617.db2.gz WOYYVVHPESMYON-UHFFFAOYSA-N 1 3 336.307 2.523 20 0 EFADHO Cc1cc(CN2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c(C)s1 ZINC001188969868 1291531658 /nfs/dbraw/zinc/53/16/58/1291531658.db2.gz BVEHUNDQQLPJHJ-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054271 1291564566 /nfs/dbraw/zinc/56/45/66/1291564566.db2.gz BKLHKUUSSVPLSL-YTQUADARSA-N 1 3 347.478 2.761 20 0 EFADHO CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312544 1291668788 /nfs/dbraw/zinc/66/87/88/1291668788.db2.gz VDXJDRZWPXKECZ-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312544 1291668794 /nfs/dbraw/zinc/66/87/94/1291668794.db2.gz VDXJDRZWPXKECZ-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001189389349 1291693944 /nfs/dbraw/zinc/69/39/44/1291693944.db2.gz JHPMPVLJBJHPKU-OABSHCPFSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001189389349 1291693956 /nfs/dbraw/zinc/69/39/56/1291693956.db2.gz JHPMPVLJBJHPKU-OABSHCPFSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000957516724 1291698031 /nfs/dbraw/zinc/69/80/31/1291698031.db2.gz APEFLUIDTZBMRB-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517159 1291698297 /nfs/dbraw/zinc/69/82/97/1291698297.db2.gz KUGNTHSSLGLXGS-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517160 1291698673 /nfs/dbraw/zinc/69/86/73/1291698673.db2.gz KUGNTHSSLGLXGS-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751318 1291752885 /nfs/dbraw/zinc/75/28/85/1291752885.db2.gz YBFGFVQFYUDJNM-RMJJICAUSA-N 1 3 347.478 2.665 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(C)sc3C)C[C@H]21 ZINC001189667162 1291792889 /nfs/dbraw/zinc/79/28/89/1291792889.db2.gz BRHJRQMAHDMNLD-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(C)sc3C)C[C@H]21 ZINC001189667162 1291792897 /nfs/dbraw/zinc/79/28/97/1291792897.db2.gz BRHJRQMAHDMNLD-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957602799 1291854698 /nfs/dbraw/zinc/85/46/98/1291854698.db2.gz FYUJFAHDPURXAR-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC000957603281 1291856211 /nfs/dbraw/zinc/85/62/11/1291856211.db2.gz PYBXCNRNKTYEEG-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605998 1291859859 /nfs/dbraw/zinc/85/98/59/1291859859.db2.gz UIAJOTSUZFMQRF-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001016620156 1312885506 /nfs/dbraw/zinc/88/55/06/1312885506.db2.gz IMGYYHLNMHQGSV-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)N1CCCCC1 ZINC001016620473 1312886080 /nfs/dbraw/zinc/88/60/80/1312886080.db2.gz KDONHMZQGQNIJK-INIZCTEOSA-N 1 3 339.499 2.581 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)Cc4c[nH]cn4)CC3)CC2)C1 ZINC000957611696 1291876767 /nfs/dbraw/zinc/87/67/67/1291876767.db2.gz ABGYALZLCTWWRN-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612591 1291879086 /nfs/dbraw/zinc/87/90/86/1291879086.db2.gz PQXGKZZYMGFOID-MRXNPFEDSA-N 1 3 332.492 2.703 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2 ZINC000957645015 1291954210 /nfs/dbraw/zinc/95/42/10/1291954210.db2.gz RNXMFVXXJBGBJR-BAQGIRSFSA-N 1 3 339.911 2.539 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644953 1291954482 /nfs/dbraw/zinc/95/44/82/1291954482.db2.gz PLJJEJXUKDCDRT-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957647724 1291959494 /nfs/dbraw/zinc/95/94/94/1291959494.db2.gz TYGQTBPIHZZDJS-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO COCCSc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000775352760 1292004310 /nfs/dbraw/zinc/00/43/10/1292004310.db2.gz NGMURCBWJVYNNB-WBVHZDCISA-N 1 3 338.517 2.532 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114794388 1292025646 /nfs/dbraw/zinc/02/56/46/1292025646.db2.gz HTRWGZDXDRMGGL-YDZRNGNQSA-N 1 3 333.520 2.510 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114794388 1292025654 /nfs/dbraw/zinc/02/56/54/1292025654.db2.gz HTRWGZDXDRMGGL-YDZRNGNQSA-N 1 3 333.520 2.510 20 0 EFADHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690827 1292070399 /nfs/dbraw/zinc/07/03/99/1292070399.db2.gz RBWQNOPPKIFNNK-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690827 1292070408 /nfs/dbraw/zinc/07/04/08/1292070408.db2.gz RBWQNOPPKIFNNK-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049477762 1312905523 /nfs/dbraw/zinc/90/55/23/1312905523.db2.gz IZWJUTRHMFHBMX-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049477762 1312905526 /nfs/dbraw/zinc/90/55/26/1312905526.db2.gz IZWJUTRHMFHBMX-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203326058 1312907914 /nfs/dbraw/zinc/90/79/14/1312907914.db2.gz RZLSRAJZZYMZSB-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001190436216 1292174469 /nfs/dbraw/zinc/17/44/69/1292174469.db2.gz SJJZYYAERDPSAG-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001190436216 1292174474 /nfs/dbraw/zinc/17/44/74/1292174474.db2.gz SJJZYYAERDPSAG-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CC2CC(C)C2)CC1)N(C)C ZINC000957753533 1292193245 /nfs/dbraw/zinc/19/32/45/1292193245.db2.gz UUGYFHCVAQKLOZ-KVZIAJEVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)CC2CC(C)C2)CC1)N(C)C ZINC000957753533 1292193247 /nfs/dbraw/zinc/19/32/47/1292193247.db2.gz UUGYFHCVAQKLOZ-KVZIAJEVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776189 1292228746 /nfs/dbraw/zinc/22/87/46/1292228746.db2.gz CUMFJKVLJNSOBQ-UHFFFAOYSA-N 1 3 349.544 2.904 20 0 EFADHO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776189 1292228753 /nfs/dbraw/zinc/22/87/53/1292228753.db2.gz CUMFJKVLJNSOBQ-UHFFFAOYSA-N 1 3 349.544 2.904 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1)C1CCC1 ZINC001190674766 1292280529 /nfs/dbraw/zinc/28/05/29/1292280529.db2.gz DKWBEXGGNJEEKT-SONCPKABSA-N 1 3 341.499 2.717 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1)C1CCC1 ZINC001190674766 1292280534 /nfs/dbraw/zinc/28/05/34/1292280534.db2.gz DKWBEXGGNJEEKT-SONCPKABSA-N 1 3 341.499 2.717 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001190778094 1292312459 /nfs/dbraw/zinc/31/24/59/1292312459.db2.gz YMYHTCOGHZAMEG-ALHCXDLNSA-N 1 3 343.515 2.819 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001190899084 1292370560 /nfs/dbraw/zinc/37/05/60/1292370560.db2.gz HAACVFVYWLPDAD-WBDJMKMOSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001190899084 1292370570 /nfs/dbraw/zinc/37/05/70/1292370570.db2.gz HAACVFVYWLPDAD-WBDJMKMOSA-N 1 3 343.515 2.963 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)CC(C)(C)C ZINC001203426632 1312921585 /nfs/dbraw/zinc/92/15/85/1312921585.db2.gz NWPAGDXLOXWLTA-IRXDYDNUSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425829 1312921610 /nfs/dbraw/zinc/92/16/10/1312921610.db2.gz DQBVAGULRNLOTI-DLBZAZTESA-N 1 3 335.536 2.948 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001191030151 1292432433 /nfs/dbraw/zinc/43/24/33/1292432433.db2.gz QLSSKYYHETYTKR-IEBWSBKVSA-N 1 3 343.515 2.937 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001191030151 1292432439 /nfs/dbraw/zinc/43/24/39/1292432439.db2.gz QLSSKYYHETYTKR-IEBWSBKVSA-N 1 3 343.515 2.937 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049505926 1312938566 /nfs/dbraw/zinc/93/85/66/1312938566.db2.gz SQFZKIBDUZGBHU-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049505926 1312938569 /nfs/dbraw/zinc/93/85/69/1312938569.db2.gz SQFZKIBDUZGBHU-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203513818 1312942502 /nfs/dbraw/zinc/94/25/02/1312942502.db2.gz IHMUJVYJDCAWPY-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203513817 1312942708 /nfs/dbraw/zinc/94/27/08/1312942708.db2.gz IHMUJVYJDCAWPY-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203515216 1312943033 /nfs/dbraw/zinc/94/30/33/1312943033.db2.gz REEYLZIFWWAQQE-ROUUACIJSA-N 1 3 329.488 2.545 20 0 EFADHO COc1cc(OC)c(CN2CCC3(C2)CC[NH+](C)CC3)c(OC)c1 ZINC001203517117 1312943830 /nfs/dbraw/zinc/94/38/30/1312943830.db2.gz JAUWPJXOJWRVMG-UHFFFAOYSA-N 1 3 334.460 2.630 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203520344 1312944878 /nfs/dbraw/zinc/94/48/78/1312944878.db2.gz FNGGFZKIUQGZEO-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(-c2ccccc2)on1 ZINC001276317397 1292732377 /nfs/dbraw/zinc/73/23/77/1292732377.db2.gz YMCIPQNOCCBIGO-OALUTQOASA-N 1 3 340.471 2.552 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(-c2ccccc2)on1 ZINC001276317397 1292732380 /nfs/dbraw/zinc/73/23/80/1292732380.db2.gz YMCIPQNOCCBIGO-OALUTQOASA-N 1 3 340.471 2.552 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1F ZINC001192046269 1292744824 /nfs/dbraw/zinc/74/48/24/1292744824.db2.gz LWMHDEXNSVFFIJ-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccnc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276321073 1292745013 /nfs/dbraw/zinc/74/50/13/1292745013.db2.gz WFJXBBVRSUUWCN-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccnc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276321073 1292745017 /nfs/dbraw/zinc/74/50/17/1292745017.db2.gz WFJXBBVRSUUWCN-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccnc(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001276321073 1292745022 /nfs/dbraw/zinc/74/50/22/1292745022.db2.gz WFJXBBVRSUUWCN-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192005539 1292745870 /nfs/dbraw/zinc/74/58/70/1292745870.db2.gz AYVWIJRMPKYGEC-KRWDZBQOSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccnc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001276321280 1292748532 /nfs/dbraw/zinc/74/85/32/1292748532.db2.gz DBDHAHMGOMVRMR-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ccnc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c1 ZINC001276321280 1292748543 /nfs/dbraw/zinc/74/85/43/1292748543.db2.gz DBDHAHMGOMVRMR-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192027968 1292754065 /nfs/dbraw/zinc/75/40/65/1292754065.db2.gz BTSUOJXSRQLZBQ-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039059 1292757589 /nfs/dbraw/zinc/75/75/89/1292757589.db2.gz VPRBOTCVJJBLNC-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114840680 1292821910 /nfs/dbraw/zinc/82/19/10/1292821910.db2.gz NNIBXDJMWTXOOI-DZFIZOCASA-N 1 3 333.520 2.511 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114840680 1292821928 /nfs/dbraw/zinc/82/19/28/1292821928.db2.gz NNIBXDJMWTXOOI-DZFIZOCASA-N 1 3 333.520 2.511 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001192387191 1292886231 /nfs/dbraw/zinc/88/62/31/1292886231.db2.gz VLXICUHXPWGVDP-VVUIVXFESA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001192387191 1292886241 /nfs/dbraw/zinc/88/62/41/1292886241.db2.gz VLXICUHXPWGVDP-VVUIVXFESA-N 1 3 329.488 2.573 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760916 1312963744 /nfs/dbraw/zinc/96/37/44/1312963744.db2.gz FBRMABFADMYKPN-CVEARBPZSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)N1CCCC1 ZINC001016760681 1312963806 /nfs/dbraw/zinc/96/38/06/1312963806.db2.gz BYTNHASAHMZAOK-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016762337 1312965033 /nfs/dbraw/zinc/96/50/33/1312965033.db2.gz ZFWJIHFEXVEHBB-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192670431 1292975510 /nfs/dbraw/zinc/97/55/10/1292975510.db2.gz AAJCRBHSCTZDEV-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192670431 1292975516 /nfs/dbraw/zinc/97/55/16/1292975516.db2.gz AAJCRBHSCTZDEV-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO Cc1nc(Cl)c(CCN2CC[C@@H](C[NH3+])[C@@H](C)CC2)c(Cl)n1 ZINC001205604787 1292980643 /nfs/dbraw/zinc/98/06/43/1292980643.db2.gz XBPWIZKHPPQIDW-JQWIXIFHSA-N 1 3 331.291 2.941 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001192907257 1293096801 /nfs/dbraw/zinc/09/68/01/1293096801.db2.gz UZLKNDYXUCJSNO-IAGOWNOFSA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@@H](C)F)C1 ZINC001192907257 1293096807 /nfs/dbraw/zinc/09/68/07/1293096807.db2.gz UZLKNDYXUCJSNO-IAGOWNOFSA-N 1 3 329.504 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001192948657 1293108764 /nfs/dbraw/zinc/10/87/64/1293108764.db2.gz UYRBDAOGCCQLLI-AEFFLSMTSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001192948657 1293108766 /nfs/dbraw/zinc/10/87/66/1293108766.db2.gz UYRBDAOGCCQLLI-AEFFLSMTSA-N 1 3 347.503 2.631 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049535242 1312977747 /nfs/dbraw/zinc/97/77/47/1312977747.db2.gz ZJKOHXDQBOGSQJ-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049535242 1312977751 /nfs/dbraw/zinc/97/77/51/1312977751.db2.gz ZJKOHXDQBOGSQJ-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001192969953 1293127041 /nfs/dbraw/zinc/12/70/41/1293127041.db2.gz OPUGMZOSYAKEMO-HKUYNNGSSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001192969953 1293127043 /nfs/dbraw/zinc/12/70/43/1293127043.db2.gz OPUGMZOSYAKEMO-HKUYNNGSSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001192969466 1293127121 /nfs/dbraw/zinc/12/71/21/1293127121.db2.gz KKTRFNUPDYUUFQ-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001192969466 1293127122 /nfs/dbraw/zinc/12/71/22/1293127122.db2.gz KKTRFNUPDYUUFQ-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001192969950 1293127919 /nfs/dbraw/zinc/12/79/19/1293127919.db2.gz OLHLIIIAKBNBRI-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001192969950 1293127924 /nfs/dbraw/zinc/12/79/24/1293127924.db2.gz OLHLIIIAKBNBRI-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1 ZINC001192970777 1293129252 /nfs/dbraw/zinc/12/92/52/1293129252.db2.gz YWXKMFWZQFGFSO-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1 ZINC001192970777 1293129254 /nfs/dbraw/zinc/12/92/54/1293129254.db2.gz YWXKMFWZQFGFSO-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCC/C=C/CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026526 1293145500 /nfs/dbraw/zinc/14/55/00/1293145500.db2.gz KQINCAGKAMPOIE-GHOSXJJBSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C/CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026526 1293145508 /nfs/dbraw/zinc/14/55/08/1293145508.db2.gz KQINCAGKAMPOIE-GHOSXJJBSA-N 1 3 335.536 2.997 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203649646 1312980181 /nfs/dbraw/zinc/98/01/81/1312980181.db2.gz CWRYFELTBAKXIH-MSOLQXFVSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203650308 1312980557 /nfs/dbraw/zinc/98/05/57/1312980557.db2.gz GGTAEFCQCABNAI-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203650680 1312980909 /nfs/dbraw/zinc/98/09/09/1312980909.db2.gz JEXAKRXRXOZZRC-IRXDYDNUSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203651193 1312981009 /nfs/dbraw/zinc/98/10/09/1312981009.db2.gz MEHBLGJYBMUUKN-DLBZAZTESA-N 1 3 349.544 2.649 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203652558 1312981685 /nfs/dbraw/zinc/98/16/85/1312981685.db2.gz VPKKBHVXHIPJHP-RTBURBONSA-N 1 3 343.515 2.588 20 0 EFADHO CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661383 1312983646 /nfs/dbraw/zinc/98/36/46/1312983646.db2.gz UPQAZNWOMBZKIC-SJORKVTESA-N 1 3 332.492 2.858 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203662035 1312984034 /nfs/dbraw/zinc/98/40/34/1312984034.db2.gz XMGFJCGXPWEBCX-DLBZAZTESA-N 1 3 332.492 2.714 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193278693 1293231268 /nfs/dbraw/zinc/23/12/68/1293231268.db2.gz JPTZHDAVMZYNPG-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193278693 1293231274 /nfs/dbraw/zinc/23/12/74/1293231274.db2.gz JPTZHDAVMZYNPG-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193291980 1293238165 /nfs/dbraw/zinc/23/81/65/1293238165.db2.gz KTLYJPXVVPDFFU-SCEWNMGZSA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193291980 1293238169 /nfs/dbraw/zinc/23/81/69/1293238169.db2.gz KTLYJPXVVPDFFU-SCEWNMGZSA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001193292397 1293238691 /nfs/dbraw/zinc/23/86/91/1293238691.db2.gz OCXOJNPSAWTJMS-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001193292397 1293238700 /nfs/dbraw/zinc/23/87/00/1293238700.db2.gz OCXOJNPSAWTJMS-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193292882 1293239645 /nfs/dbraw/zinc/23/96/45/1293239645.db2.gz VPGSYPCSINBDRA-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193292882 1293239652 /nfs/dbraw/zinc/23/96/52/1293239652.db2.gz VPGSYPCSINBDRA-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CN(C)[C@](C)(C(=O)N1CC[C@@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193408032 1293282740 /nfs/dbraw/zinc/28/27/40/1293282740.db2.gz BYCIYJNNLJYGOV-DOMOKVQJSA-N 1 3 349.906 2.749 20 0 EFADHO CN(C/C=C\Cl)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408032 1293282744 /nfs/dbraw/zinc/28/27/44/1293282744.db2.gz BYCIYJNNLJYGOV-DOMOKVQJSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc2c(c1)nccc2N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000882726460 1293298645 /nfs/dbraw/zinc/29/86/45/1293298645.db2.gz VEPXVLLCRLPZRA-INIZCTEOSA-N 1 3 341.455 2.981 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570788 1293347172 /nfs/dbraw/zinc/34/71/72/1293347172.db2.gz NRXUFMWCKGQDTO-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571790 1293348998 /nfs/dbraw/zinc/34/89/98/1293348998.db2.gz WFPOBMXSEJRZEJ-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571789 1293349420 /nfs/dbraw/zinc/34/94/20/1293349420.db2.gz WFPOBMXSEJRZEJ-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO Cc1c(Br)cncc1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205637907 1293359501 /nfs/dbraw/zinc/35/95/01/1293359501.db2.gz JVLKRIJVXNUDEC-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC2CCCC2)CC3)C1 ZINC001016818768 1312996101 /nfs/dbraw/zinc/99/61/01/1312996101.db2.gz GKPQBIJGVWVPCT-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819671 1312996444 /nfs/dbraw/zinc/99/64/44/1312996444.db2.gz LTHHBTHJVCGEBN-KXBFYZLASA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001193621502 1293370026 /nfs/dbraw/zinc/37/00/26/1293370026.db2.gz FYVOPGBJRXLCNX-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001193621502 1293370032 /nfs/dbraw/zinc/37/00/32/1293370032.db2.gz FYVOPGBJRXLCNX-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001193623067 1293372224 /nfs/dbraw/zinc/37/22/24/1293372224.db2.gz XAXAZQVZDODGMG-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001193623067 1293372234 /nfs/dbraw/zinc/37/22/34/1293372234.db2.gz XAXAZQVZDODGMG-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001193623068 1293373792 /nfs/dbraw/zinc/37/37/92/1293373792.db2.gz XAXAZQVZDODGMG-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001193623068 1293373802 /nfs/dbraw/zinc/37/38/02/1293373802.db2.gz XAXAZQVZDODGMG-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001193630302 1293374452 /nfs/dbraw/zinc/37/44/52/1293374452.db2.gz HEVVPJJTKWTQQZ-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001193630302 1293374459 /nfs/dbraw/zinc/37/44/59/1293374459.db2.gz HEVVPJJTKWTQQZ-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193630879 1293376605 /nfs/dbraw/zinc/37/66/05/1293376605.db2.gz PZISKENIYNDPFI-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193630879 1293376612 /nfs/dbraw/zinc/37/66/12/1293376612.db2.gz PZISKENIYNDPFI-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2C)C1 ZINC001193641635 1293381658 /nfs/dbraw/zinc/38/16/58/1293381658.db2.gz IHEWVUXRHDYSFR-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2C)C1 ZINC001193641635 1293381666 /nfs/dbraw/zinc/38/16/66/1293381666.db2.gz IHEWVUXRHDYSFR-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2CCCCC2)CC3)C1 ZINC001016820825 1312997393 /nfs/dbraw/zinc/99/73/93/1312997393.db2.gz UZJXNMXPBBQNKO-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001193642411 1293382624 /nfs/dbraw/zinc/38/26/24/1293382624.db2.gz NRSQCKAXLTWRJG-SJLPKXTDSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001193642411 1293382627 /nfs/dbraw/zinc/38/26/27/1293382627.db2.gz NRSQCKAXLTWRJG-SJLPKXTDSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193643507 1293385011 /nfs/dbraw/zinc/38/50/11/1293385011.db2.gz VEKUOMXZDAHHLA-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193643507 1293385019 /nfs/dbraw/zinc/38/50/19/1293385019.db2.gz VEKUOMXZDAHHLA-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001193643681 1293385059 /nfs/dbraw/zinc/38/50/59/1293385059.db2.gz YSTTTZBXVQOFFT-SFHVURJKSA-N 1 3 342.487 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001193643681 1293385065 /nfs/dbraw/zinc/38/50/65/1293385065.db2.gz YSTTTZBXVQOFFT-SFHVURJKSA-N 1 3 342.487 2.542 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193600518 1293389695 /nfs/dbraw/zinc/38/96/95/1293389695.db2.gz FOKJJHMYOABACY-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193600518 1293389705 /nfs/dbraw/zinc/38/97/05/1293389705.db2.gz FOKJJHMYOABACY-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016829231 1313001243 /nfs/dbraw/zinc/00/12/43/1313001243.db2.gz LPPNWLSSDQWGIY-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001016830819 1313001716 /nfs/dbraw/zinc/00/17/16/1313001716.db2.gz WLTUGUNCANSCGX-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ncc(Br)cc1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205651923 1293514638 /nfs/dbraw/zinc/51/46/38/1293514638.db2.gz LVTIDGPAQGKXLB-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226744 1293560859 /nfs/dbraw/zinc/56/08/59/1293560859.db2.gz GIDGLHDUSZOBFI-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246289 1293569467 /nfs/dbraw/zinc/56/94/67/1293569467.db2.gz KNSQMNFGCVUZGQ-GOSISDBHSA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246289 1293569473 /nfs/dbraw/zinc/56/94/73/1293569473.db2.gz KNSQMNFGCVUZGQ-GOSISDBHSA-N 1 3 329.488 2.861 20 0 EFADHO C[C@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246716 1293570201 /nfs/dbraw/zinc/57/02/01/1293570201.db2.gz QMHNESBPGIIQRB-DOTOQJQBSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246716 1293570206 /nfs/dbraw/zinc/57/02/06/1293570206.db2.gz QMHNESBPGIIQRB-DOTOQJQBSA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203772397 1313011514 /nfs/dbraw/zinc/01/15/14/1313011514.db2.gz SFFABMOWJSJNBM-QZTJIDSGSA-N 1 3 347.478 2.738 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284748 1293587372 /nfs/dbraw/zinc/58/73/72/1293587372.db2.gz MYPFYVHAIYYKOP-GOSISDBHSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284748 1293587374 /nfs/dbraw/zinc/58/73/74/1293587374.db2.gz MYPFYVHAIYYKOP-GOSISDBHSA-N 1 3 335.467 2.507 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285490 1293587867 /nfs/dbraw/zinc/58/78/67/1293587867.db2.gz SJIGMSHOJNDGEA-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285490 1293587870 /nfs/dbraw/zinc/58/78/70/1293587870.db2.gz SJIGMSHOJNDGEA-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001194285862 1293588344 /nfs/dbraw/zinc/58/83/44/1293588344.db2.gz SYUNVQNYKUIETB-SCEWNMGZSA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001194285862 1293588349 /nfs/dbraw/zinc/58/83/49/1293588349.db2.gz SYUNVQNYKUIETB-SCEWNMGZSA-N 1 3 329.488 2.573 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285851 1293588374 /nfs/dbraw/zinc/58/83/74/1293588374.db2.gz SUZKKWKROUHKPD-ZWKOTPCHSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285851 1293588378 /nfs/dbraw/zinc/58/83/78/1293588378.db2.gz SUZKKWKROUHKPD-ZWKOTPCHSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285171 1293588939 /nfs/dbraw/zinc/58/89/39/1293588939.db2.gz QQUDMQNFYNENDA-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285171 1293588944 /nfs/dbraw/zinc/58/89/44/1293588944.db2.gz QQUDMQNFYNENDA-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO COc1cccc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292719 1293589782 /nfs/dbraw/zinc/58/97/82/1293589782.db2.gz BUIAMIIOALVWAO-WMZOPIPTSA-N 1 3 347.503 2.629 20 0 EFADHO COc1cccc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292719 1293589786 /nfs/dbraw/zinc/58/97/86/1293589786.db2.gz BUIAMIIOALVWAO-WMZOPIPTSA-N 1 3 347.503 2.629 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000883435155 1293591353 /nfs/dbraw/zinc/59/13/53/1293591353.db2.gz LQQNIGPOPHOJMZ-KRWDZBQOSA-N 1 3 346.471 2.693 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203792985 1293594022 /nfs/dbraw/zinc/59/40/22/1293594022.db2.gz RGKMUKVLKVVSQW-OLZOCXBDSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203792304 1313017063 /nfs/dbraw/zinc/01/70/63/1313017063.db2.gz OOVZMODSHGKBMZ-DLBZAZTESA-N 1 3 349.544 2.648 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC001152146888 1293724309 /nfs/dbraw/zinc/72/43/09/1293724309.db2.gz LPBFUDALRXCMCE-QZTJIDSGSA-N 1 3 331.504 2.506 20 0 EFADHO c1cn(CCN2CCC3(C[NH+](CC4(c5ccccc5)CC4)C3)C2)cn1 ZINC001276424028 1313031180 /nfs/dbraw/zinc/03/11/80/1313031180.db2.gz FANZETXBXCAUGJ-UHFFFAOYSA-N 1 3 336.483 2.623 20 0 EFADHO C(C[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)C1CCOCC1 ZINC001202652581 1293984965 /nfs/dbraw/zinc/98/49/65/1293984965.db2.gz UVEBJMOJLJMCSG-WOJBJXKFSA-N 1 3 336.520 2.626 20 0 EFADHO C(C[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1)C1CCOCC1 ZINC001202652581 1293984968 /nfs/dbraw/zinc/98/49/68/1293984968.db2.gz UVEBJMOJLJMCSG-WOJBJXKFSA-N 1 3 336.520 2.626 20 0 EFADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203896358 1313043149 /nfs/dbraw/zinc/04/31/49/1313043149.db2.gz MXPJXTXPEIGDDC-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001202666893 1294001912 /nfs/dbraw/zinc/00/19/12/1294001912.db2.gz CTWIGJNNRVWGQD-XBXARRHUSA-N 1 3 338.455 2.636 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC001152237620 1294020471 /nfs/dbraw/zinc/02/04/71/1294020471.db2.gz RVHKGYBCVUVYCI-UHFFFAOYSA-N 1 3 347.409 2.546 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001195785809 1294034392 /nfs/dbraw/zinc/03/43/92/1294034392.db2.gz WJYDAQBWHXBOAU-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001195785809 1294034394 /nfs/dbraw/zinc/03/43/94/1294034394.db2.gz WJYDAQBWHXBOAU-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC001203924546 1313047591 /nfs/dbraw/zinc/04/75/91/1313047591.db2.gz CCLYKJCHIBDXBL-UHFFFAOYSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000884218706 1294054305 /nfs/dbraw/zinc/05/43/05/1294054305.db2.gz WMUVEIDUTWGHTP-LZQZEXGQSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000884218706 1294054309 /nfs/dbraw/zinc/05/43/09/1294054309.db2.gz WMUVEIDUTWGHTP-LZQZEXGQSA-N 1 3 329.488 2.625 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC001196033884 1294117800 /nfs/dbraw/zinc/11/78/00/1294117800.db2.gz VDRREADXSBQVIM-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001196033884 1294117803 /nfs/dbraw/zinc/11/78/03/1294117803.db2.gz VDRREADXSBQVIM-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000884450318 1294142613 /nfs/dbraw/zinc/14/26/13/1294142613.db2.gz FBFPBYIXEWRGAY-LSDHHAIUSA-N 1 3 343.393 2.552 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154446 1294151992 /nfs/dbraw/zinc/15/19/92/1294151992.db2.gz GQYNSJCQGUNHDL-UEKDZROGSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196154446 1294151999 /nfs/dbraw/zinc/15/19/99/1294151999.db2.gz GQYNSJCQGUNHDL-UEKDZROGSA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001196156368 1294152435 /nfs/dbraw/zinc/15/24/35/1294152435.db2.gz ZQQBGHKAJKLRJC-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001196156368 1294152441 /nfs/dbraw/zinc/15/24/41/1294152441.db2.gz ZQQBGHKAJKLRJC-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016949103 1313054950 /nfs/dbraw/zinc/05/49/50/1313054950.db2.gz ABZDAUVSVYTAIB-GOSISDBHSA-N 1 3 344.503 2.812 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196163110 1294154951 /nfs/dbraw/zinc/15/49/51/1294154951.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 1 3 341.515 2.923 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196163110 1294154954 /nfs/dbraw/zinc/15/49/54/1294154954.db2.gz IBVSMZRHIKBVQE-SFHVURJKSA-N 1 3 341.515 2.923 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001196215517 1294167102 /nfs/dbraw/zinc/16/71/02/1294167102.db2.gz MOBFBGIGCIYZSF-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1)N(C)C ZINC001196215517 1294167104 /nfs/dbraw/zinc/16/71/04/1294167104.db2.gz MOBFBGIGCIYZSF-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2nc[nH]c2C)CC1 ZINC001016951178 1313056301 /nfs/dbraw/zinc/05/63/01/1313056301.db2.gz OZWFULVJBBARHJ-QGZVFWFLSA-N 1 3 332.492 2.668 20 0 EFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275692 1294189249 /nfs/dbraw/zinc/18/92/49/1294189249.db2.gz LPDZEIXVMBADDY-ROUUACIJSA-N 1 3 339.499 2.677 20 0 EFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CCCN(CCCCCF)CC1 ZINC001196275692 1294189254 /nfs/dbraw/zinc/18/92/54/1294189254.db2.gz LPDZEIXVMBADDY-ROUUACIJSA-N 1 3 339.499 2.677 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275982 1294189430 /nfs/dbraw/zinc/18/94/30/1294189430.db2.gz QIJSUOUJOFSTNH-ARJAWSKDSA-N 1 3 333.520 2.753 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196275983 1294189547 /nfs/dbraw/zinc/18/95/47/1294189547.db2.gz QIJSUOUJOFSTNH-ONEGZZNKSA-N 1 3 333.520 2.753 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196276298 1294189563 /nfs/dbraw/zinc/18/95/63/1294189563.db2.gz XWZBCVUNUKVSGW-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196276298 1294189566 /nfs/dbraw/zinc/18/95/66/1294189566.db2.gz XWZBCVUNUKVSGW-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196389074 1294221968 /nfs/dbraw/zinc/22/19/68/1294221968.db2.gz ZTCVWFXLAWYDJS-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196389074 1294221976 /nfs/dbraw/zinc/22/19/76/1294221976.db2.gz ZTCVWFXLAWYDJS-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO Cc1cc(CN2CCCC3(CN(CC[NH+](C)C)C3)C2)cnc1C1CC1 ZINC001277829814 1313061869 /nfs/dbraw/zinc/06/18/69/1313061869.db2.gz ARZRKFYLMCCZET-UHFFFAOYSA-N 1 3 342.531 2.727 20 0 EFADHO C[C@H](C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1)c1ccccc1 ZINC001276434819 1313063667 /nfs/dbraw/zinc/06/36/67/1313063667.db2.gz FRGRTNUIMNFZMJ-GOSISDBHSA-N 1 3 343.515 2.666 20 0 EFADHO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccs2)CC1 ZINC001204012627 1313064528 /nfs/dbraw/zinc/06/45/28/1313064528.db2.gz IFYUIPZGADCUDB-QZTJIDSGSA-N 1 3 347.528 2.655 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619509 1294307594 /nfs/dbraw/zinc/30/75/94/1294307594.db2.gz DCLPISQNEJFZDH-LLHWWHOWSA-N 1 3 333.520 2.751 20 0 EFADHO O=c1cccc(CN2CCCC3(CC[NH+](C[C@H]4CCCO4)CC3)C2)[nH]1 ZINC001276435422 1313065631 /nfs/dbraw/zinc/06/56/31/1313065631.db2.gz ZSJUBDLWEHQRFA-GOSISDBHSA-N 1 3 345.487 2.644 20 0 EFADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983367 1313071238 /nfs/dbraw/zinc/07/12/38/1313071238.db2.gz ROYUGEQAELKVKK-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970816 1294414612 /nfs/dbraw/zinc/41/46/12/1294414612.db2.gz YHWDYXIWOPOETL-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c1 ZINC001196944177 1294418666 /nfs/dbraw/zinc/41/86/66/1294418666.db2.gz ZWYBKDIONJVHHA-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC1 ZINC001196952755 1294420579 /nfs/dbraw/zinc/42/05/79/1294420579.db2.gz ANVWOLHSDSIROZ-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049081 1294439676 /nfs/dbraw/zinc/43/96/76/1294439676.db2.gz OCTIENBJYFLOCH-QZTJIDSGSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001197049081 1294439677 /nfs/dbraw/zinc/43/96/77/1294439677.db2.gz OCTIENBJYFLOCH-QZTJIDSGSA-N 1 3 325.541 2.789 20 0 EFADHO C[NH+](C)CCC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001197048632 1294439746 /nfs/dbraw/zinc/43/97/46/1294439746.db2.gz GFEGHFLCIAYMJN-UHFFFAOYSA-N 1 3 329.488 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]C/C=C/Cl)CC2)c1 ZINC001203869230 1294449549 /nfs/dbraw/zinc/44/95/49/1294449549.db2.gz AVMNAESNKCDIOQ-RUDMXATFSA-N 1 3 335.879 2.695 20 0 EFADHO CC[C@H](C(=O)N1CCCN(CCc2ccccc2)CC1)[NH+](CC)CC ZINC001197141157 1294457832 /nfs/dbraw/zinc/45/78/32/1294457832.db2.gz CYQHMFCYIRNWQC-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000958790520 1294489401 /nfs/dbraw/zinc/48/94/01/1294489401.db2.gz FIIQXDRJKVBNEF-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC000958791212 1294490302 /nfs/dbraw/zinc/49/03/02/1294490302.db2.gz OWAZHTJJNIYVKK-WOJBJXKFSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCC1 ZINC000958794888 1294495410 /nfs/dbraw/zinc/49/54/10/1294495410.db2.gz OQEIRSBAXAJQQW-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1)N(C)C ZINC000958798170 1294499331 /nfs/dbraw/zinc/49/93/31/1294499331.db2.gz BTFBNHZXDQBIOE-VQTJNVASSA-N 1 3 343.515 2.698 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCCN1C(C)C ZINC000958802728 1294503211 /nfs/dbraw/zinc/50/32/11/1294503211.db2.gz CCULGFDUWRZIOC-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CCC[C@H]1C ZINC000958803131 1294504032 /nfs/dbraw/zinc/50/40/32/1294504032.db2.gz MXUXYTVMRCSEGR-VQIMIIECSA-N 1 3 329.488 2.595 20 0 EFADHO Cc1ncc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001276348866 1294519996 /nfs/dbraw/zinc/51/99/96/1294519996.db2.gz CFMSBRGIDALZEL-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)s1 ZINC001276348866 1294520003 /nfs/dbraw/zinc/52/00/03/1294520003.db2.gz CFMSBRGIDALZEL-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203876444 1294524552 /nfs/dbraw/zinc/52/45/52/1294524552.db2.gz KSNLRWHKVUGGEK-WYMLVPIESA-N 1 3 348.318 2.762 20 0 EFADHO Cc1cc(CN2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)n(C)n1 ZINC001276444684 1313089806 /nfs/dbraw/zinc/08/98/06/1313089806.db2.gz VXFTYYIIAOPUPI-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049615691 1313090018 /nfs/dbraw/zinc/09/00/18/1313090018.db2.gz NIGGILOREQLIPW-AQNXPRMDSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049615691 1313090022 /nfs/dbraw/zinc/09/00/22/1313090022.db2.gz NIGGILOREQLIPW-AQNXPRMDSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049616129 1313090586 /nfs/dbraw/zinc/09/05/86/1313090586.db2.gz RMKWNVXDHQUJFD-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049616129 1313090589 /nfs/dbraw/zinc/09/05/89/1313090589.db2.gz RMKWNVXDHQUJFD-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCCN(C2CCC2)C1 ZINC000886059523 1294652130 /nfs/dbraw/zinc/65/21/30/1294652130.db2.gz GUQMTZPVRNYODC-RCCFBDPRSA-N 1 3 336.520 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN([C@H](C)c2cccc(C)c2)CC1 ZINC001197692697 1294672934 /nfs/dbraw/zinc/67/29/34/1294672934.db2.gz WIYCQPKFOUJVKP-GOSISDBHSA-N 1 3 331.504 2.932 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN([C@H](C)c2cccc(C)c2)CC1 ZINC001197692697 1294672947 /nfs/dbraw/zinc/67/29/47/1294672947.db2.gz WIYCQPKFOUJVKP-GOSISDBHSA-N 1 3 331.504 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC001197705757 1294679581 /nfs/dbraw/zinc/67/95/81/1294679581.db2.gz FEZZSBKRKFMSTL-MRXNPFEDSA-N 1 3 345.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC001197705757 1294679593 /nfs/dbraw/zinc/67/95/93/1294679593.db2.gz FEZZSBKRKFMSTL-MRXNPFEDSA-N 1 3 345.478 2.688 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886131809 1294718290 /nfs/dbraw/zinc/71/82/90/1294718290.db2.gz HYRIRJNJAWUJBC-IBGZPJMESA-N 1 3 349.563 2.685 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197809644 1294725360 /nfs/dbraw/zinc/72/53/60/1294725360.db2.gz FGOSIBJLDDIGJW-ZWKOTPCHSA-N 1 3 341.515 2.781 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCc1ccc(F)c(F)c1 ZINC001152383866 1294843372 /nfs/dbraw/zinc/84/33/72/1294843372.db2.gz KRBNMNJHPDTJFF-UHFFFAOYSA-N 1 3 347.409 2.546 20 0 EFADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345019 1313109209 /nfs/dbraw/zinc/10/92/09/1313109209.db2.gz FOTSCUPBDLZGAL-ASIGSXEYSA-N 1 3 333.520 2.607 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CC(N3CCCCC3)C2)cc1 ZINC001204269461 1313112327 /nfs/dbraw/zinc/11/23/27/1313112327.db2.gz CWAPQIVPPLPSIS-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCC(N3CC(F)C3)CC2)cc1 ZINC001204269812 1313112790 /nfs/dbraw/zinc/11/27/90/1313112790.db2.gz KMVDLNVULQEAHE-UHFFFAOYSA-N 1 3 349.494 2.635 20 0 EFADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719352 1313113096 /nfs/dbraw/zinc/11/30/96/1313113096.db2.gz YNFRIAHJHQBDRO-QGZVFWFLSA-N 1 3 348.487 2.684 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545684 1295010637 /nfs/dbraw/zinc/01/06/37/1295010637.db2.gz PWENSGWNGDCIEN-OXQOHEQNSA-N 1 3 329.488 2.670 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203904426 1295032699 /nfs/dbraw/zinc/03/26/99/1295032699.db2.gz WIBOEUCNAJTNHF-HFBDAHEESA-N 1 3 348.318 2.760 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203904426 1295032705 /nfs/dbraw/zinc/03/27/05/1295032705.db2.gz WIBOEUCNAJTNHF-HFBDAHEESA-N 1 3 348.318 2.760 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)CC1 ZINC000886633645 1295070839 /nfs/dbraw/zinc/07/08/39/1295070839.db2.gz ZYOXKAURFDLBJN-CSLYMUCUSA-N 1 3 333.480 2.543 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NCc2nc([C@@H]3CCCO3)n[nH]2)CC1 ZINC000886633645 1295070851 /nfs/dbraw/zinc/07/08/51/1295070851.db2.gz ZYOXKAURFDLBJN-CSLYMUCUSA-N 1 3 333.480 2.543 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)CC1 ZINC000886633646 1295071818 /nfs/dbraw/zinc/07/18/18/1295071818.db2.gz ZYOXKAURFDLBJN-SWKXRBFHSA-N 1 3 333.480 2.543 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NCc2nc([C@H]3CCCO3)n[nH]2)CC1 ZINC000886633646 1295071828 /nfs/dbraw/zinc/07/18/28/1295071828.db2.gz ZYOXKAURFDLBJN-SWKXRBFHSA-N 1 3 333.480 2.543 20 0 EFADHO c1ccc(CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]2CCCO2)cc1 ZINC000903726967 1313124137 /nfs/dbraw/zinc/12/41/37/1313124137.db2.gz PRKQTWWTLRZTNO-VQTJNVASSA-N 1 3 344.499 2.826 20 0 EFADHO Cc1nc(C2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)[nH]c1C ZINC000886670497 1295099341 /nfs/dbraw/zinc/09/93/41/1295099341.db2.gz QLOFQNXLPYCEHF-UHFFFAOYSA-N 1 3 326.444 2.869 20 0 EFADHO c1ccc([C@@H]2CN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CCS2)cc1 ZINC000903730488 1313132154 /nfs/dbraw/zinc/13/21/54/1313132154.db2.gz WTJPHDFQCLVGKO-MSOLQXFVSA-N 1 3 332.513 2.935 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NC(C)C ZINC001198723316 1295205459 /nfs/dbraw/zinc/20/54/59/1295205459.db2.gz DNKZQGRRUNZIRK-MSOLQXFVSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NC(C)C ZINC001198723316 1295205462 /nfs/dbraw/zinc/20/54/62/1295205462.db2.gz DNKZQGRRUNZIRK-MSOLQXFVSA-N 1 3 347.503 2.723 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740367 1295214429 /nfs/dbraw/zinc/21/44/29/1295214429.db2.gz DBYZMDMXQLMJEM-RCCFBDPRSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740367 1295214442 /nfs/dbraw/zinc/21/44/42/1295214442.db2.gz DBYZMDMXQLMJEM-RCCFBDPRSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017069869 1313138264 /nfs/dbraw/zinc/13/82/64/1313138264.db2.gz BMKKRZDYRWRXLM-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017069869 1313138267 /nfs/dbraw/zinc/13/82/67/1313138267.db2.gz BMKKRZDYRWRXLM-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CCC[NH+](C)C)NCCC(C)C ZINC001198864526 1295277511 /nfs/dbraw/zinc/27/75/11/1295277511.db2.gz BDVARFSFWLPQRK-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CCN[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895898 1295299249 /nfs/dbraw/zinc/29/92/49/1295299249.db2.gz XXUUTDQOVMCOPM-DLBZAZTESA-N 1 3 335.492 2.582 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)CN1CCC[C@H]1C)c1ccccc1OC ZINC001198901879 1295301986 /nfs/dbraw/zinc/30/19/86/1295301986.db2.gz AEYLKHGKBRGWQS-AEFFLSMTSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1OC)N(C)C ZINC001198902002 1295302655 /nfs/dbraw/zinc/30/26/55/1295302655.db2.gz CHSDECBURJJSLD-ROUUACIJSA-N 1 3 347.503 2.582 20 0 EFADHO CC/C=C\CCC[NH+]1CCC2(CCCN(CC(=O)N(C)C)C2)CC1 ZINC001276465815 1313142429 /nfs/dbraw/zinc/14/24/29/1313142429.db2.gz QSWKEZXYOGNJDP-WAYWQWQTSA-N 1 3 335.536 2.999 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C(C)C ZINC001198903180 1295306816 /nfs/dbraw/zinc/30/68/16/1295306816.db2.gz WGJZDYVJDSHOEI-QGZVFWFLSA-N 1 3 349.519 2.828 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(C)C ZINC001198885344 1295316648 /nfs/dbraw/zinc/31/66/48/1295316648.db2.gz FDVFOAGBTQPEMC-PKOBYXMFSA-N 1 3 349.519 2.684 20 0 EFADHO CC/C=C\CCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885975 1295321062 /nfs/dbraw/zinc/32/10/62/1295321062.db2.gz WHJRDKPTKINXQQ-HPFMTEOYSA-N 1 3 347.503 2.750 20 0 EFADHO CCN[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1OC ZINC001198924902 1295333938 /nfs/dbraw/zinc/33/39/38/1295333938.db2.gz NZKFBXTWQQLCCD-QZTJIDSGSA-N 1 3 347.503 2.725 20 0 EFADHO CCN[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1OC ZINC001198924902 1295333943 /nfs/dbraw/zinc/33/39/43/1295333943.db2.gz NZKFBXTWQQLCCD-QZTJIDSGSA-N 1 3 347.503 2.725 20 0 EFADHO Cc1nc2c(s1)[C@H](N(C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903739201 1313144598 /nfs/dbraw/zinc/14/45/98/1313144598.db2.gz FCZIOOVUAYVMIF-GOEBONIOSA-N 1 3 335.517 2.919 20 0 EFADHO CC[C@@H](C)C[NH2+][C@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939358 1295343365 /nfs/dbraw/zinc/34/33/65/1295343365.db2.gz KSSAJYPSEHZEPT-SJLPKXTDSA-N 1 3 349.519 2.830 20 0 EFADHO CCN[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1OC ZINC001198953932 1295352407 /nfs/dbraw/zinc/35/24/07/1295352407.db2.gz WRTPCGKQPSMEMV-SFHVURJKSA-N 1 3 347.503 2.582 20 0 EFADHO CCCCN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960701 1295359242 /nfs/dbraw/zinc/35/92/42/1295359242.db2.gz LQGNJSWGTBKDRJ-SJLPKXTDSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960701 1295359252 /nfs/dbraw/zinc/35/92/52/1295359252.db2.gz LQGNJSWGTBKDRJ-SJLPKXTDSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCC[NH2+][C@H](CNC(=O)CN(C)CCC)c1ccccc1OC ZINC001198968201 1295363644 /nfs/dbraw/zinc/36/36/44/1295363644.db2.gz LZRUZUFMYXDVTO-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CCCC[NH+](C)C)NCC1CC1 ZINC001198967419 1295363893 /nfs/dbraw/zinc/36/38/93/1295363893.db2.gz GGPHGLODSVLYCV-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](NCC1CC1)c1ccccc1OC ZINC001198968578 1295366092 /nfs/dbraw/zinc/36/60/92/1295366092.db2.gz OEGSGTYUINPMGC-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](NCC1CC1)c1ccccc1OC ZINC001198968578 1295366097 /nfs/dbraw/zinc/36/60/97/1295366097.db2.gz OEGSGTYUINPMGC-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCOC(=O)[C@H](CCc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000903743454 1313151206 /nfs/dbraw/zinc/15/12/06/1313151206.db2.gz LIKNQVFBYHTEHK-SFHVURJKSA-N 1 3 330.472 2.626 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001234644377 1313176655 /nfs/dbraw/zinc/17/66/55/1313176655.db2.gz UARBQJVQYYNUTH-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234644377 1313176658 /nfs/dbraw/zinc/17/66/58/1313176658.db2.gz UARBQJVQYYNUTH-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO Cc1ccccc1CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001199788459 1295752364 /nfs/dbraw/zinc/75/23/64/1295752364.db2.gz QTPVQPXOBOKJEC-FQEVSTJZSA-N 1 3 343.515 2.602 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)CC1 ZINC001049687914 1313180139 /nfs/dbraw/zinc/18/01/39/1313180139.db2.gz OTNJBUJZHGZLHF-ROUUACIJSA-N 1 3 347.528 2.655 20 0 EFADHO Fc1cccc(OC2CCN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903769858 1313182898 /nfs/dbraw/zinc/18/28/98/1313182898.db2.gz PXVDXAYQYSGVNP-IBGZPJMESA-N 1 3 348.462 2.828 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141836 1313198497 /nfs/dbraw/zinc/19/84/97/1313198497.db2.gz JPCOFWJWJPHHDE-AZUAARDMSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141836 1313198503 /nfs/dbraw/zinc/19/85/03/1313198503.db2.gz JPCOFWJWJPHHDE-AZUAARDMSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049704027 1313200579 /nfs/dbraw/zinc/20/05/79/1313200579.db2.gz OEOKBMPWJPNRPZ-XUVXKRRUSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049704027 1313200583 /nfs/dbraw/zinc/20/05/83/1313200583.db2.gz OEOKBMPWJPNRPZ-XUVXKRRUSA-N 1 3 343.515 2.838 20 0 EFADHO CCC[C@@H]1CN(C[C@H](O)C[N@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965122 1296019659 /nfs/dbraw/zinc/01/96/59/1296019659.db2.gz CIHLKWGPDHEYHV-NHCUHLMSSA-N 1 3 347.547 2.674 20 0 EFADHO CCC[C@@H]1CN(C[C@H](O)C[N@@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965122 1296019663 /nfs/dbraw/zinc/01/96/63/1296019663.db2.gz CIHLKWGPDHEYHV-NHCUHLMSSA-N 1 3 347.547 2.674 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017154596 1313209615 /nfs/dbraw/zinc/20/96/15/1313209615.db2.gz VFXNNBHZQULVQX-NVXWUHKLSA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017154596 1313209618 /nfs/dbraw/zinc/20/96/18/1313209618.db2.gz VFXNNBHZQULVQX-NVXWUHKLSA-N 1 3 337.533 2.759 20 0 EFADHO COCCN(Cc1ccc(C)c(C)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903785078 1313210126 /nfs/dbraw/zinc/21/01/26/1313210126.db2.gz VZDAMGAEWXOUBE-HXUWFJFHSA-N 1 3 346.515 2.911 20 0 EFADHO CCCCN1CC[C@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274269172 1296049198 /nfs/dbraw/zinc/04/91/98/1296049198.db2.gz LIFPATWSGYWFLL-IBGZPJMESA-N 1 3 326.444 2.787 20 0 EFADHO CCCCN1CC[C@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274269172 1296049212 /nfs/dbraw/zinc/04/92/12/1296049212.db2.gz LIFPATWSGYWFLL-IBGZPJMESA-N 1 3 326.444 2.787 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049706481 1313203281 /nfs/dbraw/zinc/20/32/81/1313203281.db2.gz ZJKOHXDQBOGSQJ-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049706481 1313203283 /nfs/dbraw/zinc/20/32/83/1313203283.db2.gz ZJKOHXDQBOGSQJ-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049706483 1313203683 /nfs/dbraw/zinc/20/36/83/1313203683.db2.gz ZJKOHXDQBOGSQJ-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049706483 1313203685 /nfs/dbraw/zinc/20/36/85/1313203685.db2.gz ZJKOHXDQBOGSQJ-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049706482 1313203942 /nfs/dbraw/zinc/20/39/42/1313203942.db2.gz ZJKOHXDQBOGSQJ-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049706482 1313203945 /nfs/dbraw/zinc/20/39/45/1313203945.db2.gz ZJKOHXDQBOGSQJ-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903786995 1313213003 /nfs/dbraw/zinc/21/30/03/1313213003.db2.gz SRSSLFRMOMXOLA-IAGOWNOFSA-N 1 3 345.487 2.735 20 0 EFADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)ccc1OC ZINC001234973598 1313215136 /nfs/dbraw/zinc/21/51/36/1313215136.db2.gz BCPSNEIZJIVKBA-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CCSCC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277913280 1313215179 /nfs/dbraw/zinc/21/51/79/1313215179.db2.gz GGICKTOHAKCSEV-IYBDPMFKSA-N 1 3 335.517 2.684 20 0 EFADHO CCSCC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277913280 1313215182 /nfs/dbraw/zinc/21/51/82/1313215182.db2.gz GGICKTOHAKCSEV-IYBDPMFKSA-N 1 3 335.517 2.684 20 0 EFADHO Cc1cccc(F)c1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274584028 1296113560 /nfs/dbraw/zinc/11/35/60/1296113560.db2.gz RIOLFKQYFMQWSM-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001049720718 1313223071 /nfs/dbraw/zinc/22/30/71/1313223071.db2.gz SSUZGTFDQKURGD-GPMSIDNRSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001049720718 1313223076 /nfs/dbraw/zinc/22/30/76/1313223076.db2.gz SSUZGTFDQKURGD-GPMSIDNRSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959870794 1296170369 /nfs/dbraw/zinc/17/03/69/1296170369.db2.gz JVMZFGFTHXIYTJ-FVQHAEBGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC000959870794 1296170370 /nfs/dbraw/zinc/17/03/70/1296170370.db2.gz JVMZFGFTHXIYTJ-FVQHAEBGSA-N 1 3 335.536 2.734 20 0 EFADHO CCCN(CCC)C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794399 1313224377 /nfs/dbraw/zinc/22/43/77/1313224377.db2.gz TXKVWNVJNMGTSO-UHFFFAOYSA-N 1 3 331.504 2.628 20 0 EFADHO CCSCC[NH+]1CCC2(CCN(Cc3cc(C)nn3C)C2)CC1 ZINC001277916953 1313225237 /nfs/dbraw/zinc/22/52/37/1313225237.db2.gz PLASAZJGPTXFHG-UHFFFAOYSA-N 1 3 336.549 2.770 20 0 EFADHO [NH3+]CC1CCN(Cc2c(-c3ccccc3)nc3n2CCS3)CC1 ZINC001205040284 1313225335 /nfs/dbraw/zinc/22/53/35/1313225335.db2.gz DHJLZDLLPIHHJR-UHFFFAOYSA-N 1 3 328.485 2.827 20 0 EFADHO CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794549 1313225374 /nfs/dbraw/zinc/22/53/74/1313225374.db2.gz ZGAAQZPLYZLEAH-SJORKVTESA-N 1 3 331.504 2.672 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001274886546 1296202779 /nfs/dbraw/zinc/20/27/79/1296202779.db2.gz DUWLEGVKVILARV-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001274886546 1296202790 /nfs/dbraw/zinc/20/27/90/1296202790.db2.gz DUWLEGVKVILARV-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@@H]3CCC=CO3)CC2)C1 ZINC001274892604 1296210249 /nfs/dbraw/zinc/21/02/49/1296210249.db2.gz DKMLFFKZBKHQLQ-SFHVURJKSA-N 1 3 330.476 2.780 20 0 EFADHO Cc1ccc(C(F)(F)F)cc1CN1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235039374 1313230081 /nfs/dbraw/zinc/23/00/81/1313230081.db2.gz ZGLCCDGNFXNXSZ-CZUORRHYSA-N 1 3 328.378 2.824 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC000959925027 1296241693 /nfs/dbraw/zinc/24/16/93/1296241693.db2.gz LLUBWNPAUHKWOH-RBUKOAKNSA-N 1 3 347.478 2.699 20 0 EFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC001275326186 1296257526 /nfs/dbraw/zinc/25/75/26/1296257526.db2.gz MDKZJVQZQLHSTR-OAQYLSRUSA-N 1 3 343.515 2.831 20 0 EFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)C1 ZINC001275326186 1296257534 /nfs/dbraw/zinc/25/75/34/1296257534.db2.gz MDKZJVQZQLHSTR-OAQYLSRUSA-N 1 3 343.515 2.831 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)c1 ZINC000960022516 1296370209 /nfs/dbraw/zinc/37/02/09/1296370209.db2.gz LGHITWIFBTVHGU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC000960023897 1296372998 /nfs/dbraw/zinc/37/29/98/1296372998.db2.gz ZPUIEWBSMXGNRG-IBGZPJMESA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC000960042573 1296395674 /nfs/dbraw/zinc/39/56/74/1296395674.db2.gz IADAFGHYXFYEDL-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001017202196 1313256031 /nfs/dbraw/zinc/25/60/31/1313256031.db2.gz QSWFQSWPXYRWPU-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001017202196 1313256034 /nfs/dbraw/zinc/25/60/34/1313256034.db2.gz QSWFQSWPXYRWPU-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000960132165 1296491573 /nfs/dbraw/zinc/49/15/73/1296491573.db2.gz SIHPZZUSSYRSGW-AEFFLSMTSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000960132165 1296491579 /nfs/dbraw/zinc/49/15/79/1296491579.db2.gz SIHPZZUSSYRSGW-AEFFLSMTSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000960132166 1296491891 /nfs/dbraw/zinc/49/18/91/1296491891.db2.gz SIHPZZUSSYRSGW-WMZOPIPTSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC000960132166 1296491893 /nfs/dbraw/zinc/49/18/93/1296491893.db2.gz SIHPZZUSSYRSGW-WMZOPIPTSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cc(F)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(F)c1 ZINC001235199971 1313262844 /nfs/dbraw/zinc/26/28/44/1313262844.db2.gz UQSGHDRXHKSOEZ-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960136851 1296496720 /nfs/dbraw/zinc/49/67/20/1296496720.db2.gz KBYSGUFGHRKLPN-MAUKXSAKSA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC000960137928 1296498592 /nfs/dbraw/zinc/49/85/92/1296498592.db2.gz XDLQJKKIHIVZSK-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1OC(C)=O ZINC001235231523 1313270417 /nfs/dbraw/zinc/27/04/17/1313270417.db2.gz SHPURHWBCTUBGZ-SFHVURJKSA-N 1 3 346.471 2.975 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC000960150770 1296512622 /nfs/dbraw/zinc/51/26/22/1296512622.db2.gz NSVROGHJZMCRGX-QAPCUYQASA-N 1 3 326.444 2.684 20 0 EFADHO C[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209260 1313267219 /nfs/dbraw/zinc/26/72/19/1313267219.db2.gz MKKSFYWWTJAXNU-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CCC1)C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209260 1313267222 /nfs/dbraw/zinc/26/72/22/1313267222.db2.gz MKKSFYWWTJAXNU-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017211562 1313267420 /nfs/dbraw/zinc/26/74/20/1313267420.db2.gz JYHNHZDGJFBUMJ-ZBFHGGJFSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017211562 1313267423 /nfs/dbraw/zinc/26/74/23/1313267423.db2.gz JYHNHZDGJFBUMJ-ZBFHGGJFSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017214125 1313269399 /nfs/dbraw/zinc/26/93/99/1313269399.db2.gz VFXNNBHZQULVQX-WBVHZDCISA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017214125 1313269402 /nfs/dbraw/zinc/26/94/02/1313269402.db2.gz VFXNNBHZQULVQX-WBVHZDCISA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017213985 1313269825 /nfs/dbraw/zinc/26/98/25/1313269825.db2.gz UDTYMGLHNQEYLB-HKUYNNGSSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017213985 1313269829 /nfs/dbraw/zinc/26/98/29/1313269829.db2.gz UDTYMGLHNQEYLB-HKUYNNGSSA-N 1 3 349.494 2.836 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCC2CCCC2)CC1)C1CC1 ZINC001201053846 1296567056 /nfs/dbraw/zinc/56/70/56/1296567056.db2.gz ZEMWXVBBMLTPPM-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222981 1313275434 /nfs/dbraw/zinc/27/54/34/1313275434.db2.gz XJLWXBFLWNQAGI-HNNXBMFYSA-N 1 3 332.492 2.559 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222981 1313275438 /nfs/dbraw/zinc/27/54/38/1313275438.db2.gz XJLWXBFLWNQAGI-HNNXBMFYSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001017223062 1313275462 /nfs/dbraw/zinc/27/54/62/1313275462.db2.gz YPRNUUVWZAOZGF-SFHVURJKSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001017223062 1313275466 /nfs/dbraw/zinc/27/54/66/1313275466.db2.gz YPRNUUVWZAOZGF-SFHVURJKSA-N 1 3 340.471 2.631 20 0 EFADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235262488 1313278438 /nfs/dbraw/zinc/27/84/38/1313278438.db2.gz OYRLWXFNBZBIRB-OXUXSNCKSA-N 1 3 335.536 2.853 20 0 EFADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235262488 1313278442 /nfs/dbraw/zinc/27/84/42/1313278442.db2.gz OYRLWXFNBZBIRB-OXUXSNCKSA-N 1 3 335.536 2.853 20 0 EFADHO Cc1c(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)cnn1C ZINC001276198090 1296645150 /nfs/dbraw/zinc/64/51/50/1296645150.db2.gz QYSIKYIZALMJCW-UHFFFAOYSA-N 1 3 341.503 2.935 20 0 EFADHO Cc1c(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)cnn1C ZINC001276198090 1296645168 /nfs/dbraw/zinc/64/51/68/1296645168.db2.gz QYSIKYIZALMJCW-UHFFFAOYSA-N 1 3 341.503 2.935 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525497 1296682917 /nfs/dbraw/zinc/68/29/17/1296682917.db2.gz TYDXNPJYWGNZFD-YRXWBPOGSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525497 1296682928 /nfs/dbraw/zinc/68/29/28/1296682928.db2.gz TYDXNPJYWGNZFD-YRXWBPOGSA-N 1 3 333.520 2.652 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017240540 1313290489 /nfs/dbraw/zinc/29/04/89/1313290489.db2.gz ONPWYTDCMFYZIV-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017240540 1313290492 /nfs/dbraw/zinc/29/04/92/1313290492.db2.gz ONPWYTDCMFYZIV-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001017242439 1313291825 /nfs/dbraw/zinc/29/18/25/1313291825.db2.gz XLNPXKGXTVSONP-GPJFCIFZSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001017242439 1313291829 /nfs/dbraw/zinc/29/18/29/1313291829.db2.gz XLNPXKGXTVSONP-GPJFCIFZSA-N 1 3 349.563 2.935 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000353476808 1313294405 /nfs/dbraw/zinc/29/44/05/1313294405.db2.gz ZJIXIUGNESEOCV-HSALFYBXSA-N 1 3 341.499 2.575 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1)C1CC1 ZINC001235337539 1313295189 /nfs/dbraw/zinc/29/51/89/1313295189.db2.gz UIIWIFCUWFYSQS-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1)C1CC1 ZINC001235337539 1313295191 /nfs/dbraw/zinc/29/51/91/1313295191.db2.gz UIIWIFCUWFYSQS-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(F)cc(Br)c1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235338395 1313295211 /nfs/dbraw/zinc/29/52/11/1313295211.db2.gz AEQFKKNYDPTNOM-LLVKDONJSA-N 1 3 327.241 2.938 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001201327683 1296731892 /nfs/dbraw/zinc/73/18/92/1296731892.db2.gz PZRVBPFKQJZYFM-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3ccc(Cl)s3)C[C@@H]1CC[NH2+]CC2 ZINC001235348582 1313297487 /nfs/dbraw/zinc/29/74/87/1313297487.db2.gz HNGYKIKDXGQQPW-LRDDRELGSA-N 1 3 342.892 2.766 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3csc(Cl)c3)C[C@@H]1CC[NH2+]CC2 ZINC001235349461 1313297780 /nfs/dbraw/zinc/29/77/80/1313297780.db2.gz OGWVCIJIQMSYLQ-BBRMVZONSA-N 1 3 342.892 2.766 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000925439567 1296837985 /nfs/dbraw/zinc/83/79/85/1296837985.db2.gz MTGAZPSNTGFPFW-IZBJGVDFSA-N 1 3 348.535 2.610 20 0 EFADHO CCOc1ccc(C2(CN[C@H]3CCC[NH2+][C@H]3C)CCOCC2)cc1 ZINC000925555911 1296852776 /nfs/dbraw/zinc/85/27/76/1296852776.db2.gz DOQVMYSIRUGORC-LPHOPBHVSA-N 1 3 332.488 2.864 20 0 EFADHO [NH3+]CCC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1ccccc1 ZINC000925565142 1296854264 /nfs/dbraw/zinc/85/42/64/1296854264.db2.gz PGDYKLLCPCKFMZ-LJQANCHMSA-N 1 3 346.496 2.671 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925574866 1296858534 /nfs/dbraw/zinc/85/85/34/1296858534.db2.gz FNCVOCYLQUGSJZ-XKQJLSEDSA-N 1 3 335.879 2.787 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925574859 1296858822 /nfs/dbraw/zinc/85/88/22/1296858822.db2.gz FNCVOCYLQUGSJZ-IAOVAPTHSA-N 1 3 335.879 2.787 20 0 EFADHO [NH3+]C[C@@]1(F)CCCN(Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001205558665 1313312978 /nfs/dbraw/zinc/31/29/78/1313312978.db2.gz HYNHBUPKBZSHLS-GOSISDBHSA-N 1 3 332.398 2.936 20 0 EFADHO [NH3+]CCC[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccccc1 ZINC000925582181 1296862865 /nfs/dbraw/zinc/86/28/65/1296862865.db2.gz YFCOPJYLJYWQAO-SFHVURJKSA-N 1 3 344.480 2.586 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235407778 1313314973 /nfs/dbraw/zinc/31/49/73/1313314973.db2.gz TYOBBEOUQQHYEW-ZMYBRWDISA-N 1 3 334.435 2.617 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001235407778 1313314977 /nfs/dbraw/zinc/31/49/77/1313314977.db2.gz TYOBBEOUQQHYEW-ZMYBRWDISA-N 1 3 334.435 2.617 20 0 EFADHO O=c1ccc2c(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423907 1313318577 /nfs/dbraw/zinc/31/85/77/1313318577.db2.gz HBRUDHLDVFYIDH-CABCVRRESA-N 1 3 341.455 2.858 20 0 EFADHO O=c1ccc2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423907 1313318582 /nfs/dbraw/zinc/31/85/82/1313318582.db2.gz HBRUDHLDVFYIDH-CABCVRRESA-N 1 3 341.455 2.858 20 0 EFADHO c1ccc2c(c1)snc2N1CCN(CCC2CC[NH2+]CC2)CC1 ZINC001235433365 1313319992 /nfs/dbraw/zinc/31/99/92/1313319992.db2.gz UZTIKQZTLUSVPA-UHFFFAOYSA-N 1 3 330.501 2.808 20 0 EFADHO C[C@@H]1CCN(Cc2cccnc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205617652 1313323831 /nfs/dbraw/zinc/32/38/31/1313323831.db2.gz LYPZGFCHBZQVBP-HUUCEWRRSA-N 1 3 332.492 2.873 20 0 EFADHO C[C@H]1CCN(Cc2ccc(Br)cc2N)CC[C@@H]1C[NH3+] ZINC001205627046 1313325907 /nfs/dbraw/zinc/32/59/07/1313325907.db2.gz LXPYQYUUXRTLGY-NWDGAFQWSA-N 1 3 326.282 2.838 20 0 EFADHO C[C@H]1CCN(Cc2cccc(Br)c2N)CC[C@@H]1C[NH3+] ZINC001205638421 1313327931 /nfs/dbraw/zinc/32/79/31/1313327931.db2.gz NULPJVHVLBIXNI-NWDGAFQWSA-N 1 3 326.282 2.838 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000927082006 1296986230 /nfs/dbraw/zinc/98/62/30/1296986230.db2.gz YFXFOXFEEATHNT-BURNTYAHSA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000927082005 1296986892 /nfs/dbraw/zinc/98/68/92/1296986892.db2.gz YFXFOXFEEATHNT-BQJUDKOJSA-N 1 3 344.499 2.682 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@H]2CCN2C2CCOCC2)CC1 ZINC000927109460 1296993394 /nfs/dbraw/zinc/99/33/94/1296993394.db2.gz NCAACDVGROEMCI-UIFIKXQLSA-N 1 3 349.563 2.872 20 0 EFADHO CCCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201750952 1297050340 /nfs/dbraw/zinc/05/03/40/1297050340.db2.gz QHASALRWZFXIGD-UHFFFAOYSA-N 1 3 349.523 2.677 20 0 EFADHO CN(Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684457 1313337719 /nfs/dbraw/zinc/33/77/19/1313337719.db2.gz MUGQKVPGKAQXJA-INIZCTEOSA-N 1 3 331.416 2.523 20 0 EFADHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684457 1313337723 /nfs/dbraw/zinc/33/77/23/1313337723.db2.gz MUGQKVPGKAQXJA-INIZCTEOSA-N 1 3 331.416 2.523 20 0 EFADHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684457 1313337727 /nfs/dbraw/zinc/33/77/27/1313337727.db2.gz MUGQKVPGKAQXJA-INIZCTEOSA-N 1 3 331.416 2.523 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960487677 1297097466 /nfs/dbraw/zinc/09/74/66/1297097466.db2.gz NVRZYSRBLOLXFW-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960487677 1297097479 /nfs/dbraw/zinc/09/74/79/1297097479.db2.gz NVRZYSRBLOLXFW-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960487675 1297098919 /nfs/dbraw/zinc/09/89/19/1297098919.db2.gz NVRZYSRBLOLXFW-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960487675 1297098933 /nfs/dbraw/zinc/09/89/33/1297098933.db2.gz NVRZYSRBLOLXFW-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCC[NH+](C)C)C3)cc1 ZINC001110960799 1297159008 /nfs/dbraw/zinc/15/90/08/1297159008.db2.gz JHVKWLYIQFVIHS-AQNXPRMDSA-N 1 3 343.515 2.812 20 0 EFADHO COCC(COC)[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000929847640 1297212824 /nfs/dbraw/zinc/21/28/24/1297212824.db2.gz MQHBKDJGCZZRCA-AZUAARDMSA-N 1 3 332.488 2.634 20 0 EFADHO COCC(COC)[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000929847640 1297212831 /nfs/dbraw/zinc/21/28/31/1297212831.db2.gz MQHBKDJGCZZRCA-AZUAARDMSA-N 1 3 332.488 2.634 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903889131 1313357938 /nfs/dbraw/zinc/35/79/38/1313357938.db2.gz PAGZRDWWWPDBDS-JLYLLQBASA-N 1 3 342.487 2.675 20 0 EFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903896220 1313370385 /nfs/dbraw/zinc/37/03/85/1313370385.db2.gz UHDFQEPWHUMHHV-KURKYZTESA-N 1 3 339.487 2.889 20 0 EFADHO Cc1ccccc1[C@@H]1C[C@H](C)N(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903896217 1313370441 /nfs/dbraw/zinc/37/04/41/1313370441.db2.gz UHDFQEPWHUMHHV-KSZLIROESA-N 1 3 339.487 2.889 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000930601099 1297277888 /nfs/dbraw/zinc/27/78/88/1297277888.db2.gz DTMINRHFWONXPZ-APWZRJJASA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000930601099 1297277895 /nfs/dbraw/zinc/27/78/95/1297277895.db2.gz DTMINRHFWONXPZ-APWZRJJASA-N 1 3 337.508 2.804 20 0 EFADHO C[C@H](N)C[NH+]1CCC(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001235692898 1313377046 /nfs/dbraw/zinc/37/70/46/1313377046.db2.gz WDJDFEFAUPISAE-INIZCTEOSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC000960667379 1297393619 /nfs/dbraw/zinc/39/36/19/1297393619.db2.gz IGUCUMLCWRDNFH-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC000960667379 1297393633 /nfs/dbraw/zinc/39/36/33/1297393633.db2.gz IGUCUMLCWRDNFH-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC000960667347 1297395985 /nfs/dbraw/zinc/39/59/85/1297395985.db2.gz HOKGUGGVSOOMHE-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC000960667347 1297395999 /nfs/dbraw/zinc/39/59/99/1297395999.db2.gz HOKGUGGVSOOMHE-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847737 1313382685 /nfs/dbraw/zinc/38/26/85/1313382685.db2.gz GAYQVBCJRZBURV-SJJHQCBESA-N 1 3 344.503 2.799 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847737 1313382689 /nfs/dbraw/zinc/38/26/89/1313382689.db2.gz GAYQVBCJRZBURV-SJJHQCBESA-N 1 3 344.503 2.799 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC000960679634 1297413484 /nfs/dbraw/zinc/41/34/84/1297413484.db2.gz JPJGXTQIHBGPBE-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC000960679634 1297413486 /nfs/dbraw/zinc/41/34/86/1297413486.db2.gz JPJGXTQIHBGPBE-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO CN(C[C@H]1CCN1CCCCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727085 1313384422 /nfs/dbraw/zinc/38/44/22/1313384422.db2.gz WXLOKVBJHMZAIX-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)C1CC1 ZINC000960686413 1297420493 /nfs/dbraw/zinc/42/04/93/1297420493.db2.gz WNWXQCHLNJGMQH-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)C1CC1 ZINC000960686413 1297420496 /nfs/dbraw/zinc/42/04/96/1297420496.db2.gz WNWXQCHLNJGMQH-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC000960685781 1297420662 /nfs/dbraw/zinc/42/06/62/1297420662.db2.gz VYYDWHRNVPCAAH-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC000960685781 1297420667 /nfs/dbraw/zinc/42/06/67/1297420667.db2.gz VYYDWHRNVPCAAH-IBGZPJMESA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)N(C)C ZINC000960687630 1297422325 /nfs/dbraw/zinc/42/23/25/1297422325.db2.gz LTYITLSQYJZGFJ-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)N(C)C ZINC000960687630 1297422328 /nfs/dbraw/zinc/42/23/28/1297422328.db2.gz LTYITLSQYJZGFJ-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850935 1313387251 /nfs/dbraw/zinc/38/72/51/1313387251.db2.gz VAMNCQZHJCVYIV-DLBZAZTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850935 1313387255 /nfs/dbraw/zinc/38/72/55/1313387255.db2.gz VAMNCQZHJCVYIV-DLBZAZTESA-N 1 3 344.503 2.943 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000932634477 1297440923 /nfs/dbraw/zinc/44/09/23/1297440923.db2.gz ABUZWVQHIFEDPZ-IAGOWNOFSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000932634477 1297440929 /nfs/dbraw/zinc/44/09/29/1297440929.db2.gz ABUZWVQHIFEDPZ-IAGOWNOFSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000932634477 1297440932 /nfs/dbraw/zinc/44/09/32/1297440932.db2.gz ABUZWVQHIFEDPZ-IAGOWNOFSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000932634477 1297440934 /nfs/dbraw/zinc/44/09/34/1297440934.db2.gz ABUZWVQHIFEDPZ-IAGOWNOFSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC[C@H]2CCCN2C)C1 ZINC000932634476 1297442011 /nfs/dbraw/zinc/44/20/11/1297442011.db2.gz ABUZWVQHIFEDPZ-DLBZAZTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCN2C)C1 ZINC000932634476 1297442017 /nfs/dbraw/zinc/44/20/17/1297442017.db2.gz ABUZWVQHIFEDPZ-DLBZAZTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000932634476 1297442025 /nfs/dbraw/zinc/44/20/25/1297442025.db2.gz ABUZWVQHIFEDPZ-DLBZAZTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000932634476 1297442034 /nfs/dbraw/zinc/44/20/34/1297442034.db2.gz ABUZWVQHIFEDPZ-DLBZAZTESA-N 1 3 345.487 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846236 1313380131 /nfs/dbraw/zinc/38/01/31/1313380131.db2.gz FVEOMJZFOHLNCX-HZPDHXFCSA-N 1 3 332.492 2.799 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846236 1313380134 /nfs/dbraw/zinc/38/01/34/1313380134.db2.gz FVEOMJZFOHLNCX-HZPDHXFCSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960709488 1297452405 /nfs/dbraw/zinc/45/24/05/1297452405.db2.gz LSXNFUSVIKIDTG-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960709488 1297452414 /nfs/dbraw/zinc/45/24/14/1297452414.db2.gz LSXNFUSVIKIDTG-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905868 1313388768 /nfs/dbraw/zinc/38/87/68/1313388768.db2.gz PMBQXNWGBZMKOT-YTTRVJOFSA-N 1 3 336.501 2.614 20 0 EFADHO Cc1cnc(CN2CCC[C@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206012623 1313391088 /nfs/dbraw/zinc/39/10/88/1313391088.db2.gz NAPCYSWDMWCEFO-QWHCGFSZSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1c(Br)cncc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206013181 1313391405 /nfs/dbraw/zinc/39/14/05/1313391405.db2.gz PWGUGVBYTVWKEK-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1cncc(Br)c1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206022393 1313392602 /nfs/dbraw/zinc/39/26/02/1313392602.db2.gz CCWGHPSUPPVDIN-QWHCGFSZSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ncc(Br)cc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206035541 1313394618 /nfs/dbraw/zinc/39/46/18/1313394618.db2.gz CIRYLIWZWHWLPR-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO Brc1cccc([C@@H]2CN(C[C@@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235794978 1313397505 /nfs/dbraw/zinc/39/75/05/1313397505.db2.gz MVNFXMHDEWAIKQ-HOTGVXAUSA-N 1 3 338.293 2.538 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549454 1313408729 /nfs/dbraw/zinc/40/87/29/1313408729.db2.gz INBDBRPFRAVAGG-CADBVGFASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549454 1313408730 /nfs/dbraw/zinc/40/87/30/1313408730.db2.gz INBDBRPFRAVAGG-CADBVGFASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549455 1313408939 /nfs/dbraw/zinc/40/89/39/1313408939.db2.gz INBDBRPFRAVAGG-HCXYKTFWSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549455 1313408942 /nfs/dbraw/zinc/40/89/42/1313408942.db2.gz INBDBRPFRAVAGG-HCXYKTFWSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000903917517 1313411267 /nfs/dbraw/zinc/41/12/67/1313411267.db2.gz ZFKOTNIRGAVHTI-DLBZAZTESA-N 1 3 331.508 2.995 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001017555797 1313411964 /nfs/dbraw/zinc/41/19/64/1313411964.db2.gz UPNPDVAZQKFPOD-YHFFBGSDSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1nc2cc(C[NH+]3CCC(N4CCN(C)CC4)CC3)ccc2s1 ZINC001235867819 1313412491 /nfs/dbraw/zinc/41/24/91/1313412491.db2.gz VSMPSBURTHJTLW-UHFFFAOYSA-N 1 3 344.528 2.817 20 0 EFADHO CCOC(=O)c1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)nc1 ZINC001235870559 1313413318 /nfs/dbraw/zinc/41/33/18/1313413318.db2.gz SGYVEIRJOQONLK-UHFFFAOYSA-N 1 3 333.476 2.811 20 0 EFADHO Brc1ccc([C@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235881415 1313414314 /nfs/dbraw/zinc/41/43/14/1313414314.db2.gz FMJBEGVLSZGZJK-HOCLYGCPSA-N 1 3 339.277 2.617 20 0 EFADHO Brc1ccc([C@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235881415 1313414317 /nfs/dbraw/zinc/41/43/17/1313414317.db2.gz FMJBEGVLSZGZJK-HOCLYGCPSA-N 1 3 339.277 2.617 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC000960859117 1297706709 /nfs/dbraw/zinc/70/67/09/1297706709.db2.gz BQKKISKCYIIJOL-CRAIPNDOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC000960859117 1297706722 /nfs/dbraw/zinc/70/67/22/1297706722.db2.gz BQKKISKCYIIJOL-CRAIPNDOSA-N 1 3 349.544 2.964 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC000960860883 1297710628 /nfs/dbraw/zinc/71/06/28/1297710628.db2.gz GJHWAARTKFICSV-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC000960860883 1297710637 /nfs/dbraw/zinc/71/06/37/1297710637.db2.gz GJHWAARTKFICSV-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860083 1297711114 /nfs/dbraw/zinc/71/11/14/1297711114.db2.gz DVYSMDIKHRCORB-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860083 1297711121 /nfs/dbraw/zinc/71/11/21/1297711121.db2.gz DVYSMDIKHRCORB-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864766 1297717975 /nfs/dbraw/zinc/71/79/75/1297717975.db2.gz PGQSDXYKGUVNRB-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864766 1297717993 /nfs/dbraw/zinc/71/79/93/1297717993.db2.gz PGQSDXYKGUVNRB-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC000960864532 1297719862 /nfs/dbraw/zinc/71/98/62/1297719862.db2.gz OCVSGOXOGMOIAX-YJBOKZPZSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC000960864532 1297719872 /nfs/dbraw/zinc/71/98/72/1297719872.db2.gz OCVSGOXOGMOIAX-YJBOKZPZSA-N 1 3 349.544 2.821 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960867011 1297724639 /nfs/dbraw/zinc/72/46/39/1297724639.db2.gz ULSUJAKZIFKIFE-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960867011 1297724645 /nfs/dbraw/zinc/72/46/45/1297724645.db2.gz ULSUJAKZIFKIFE-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000960867362 1297725247 /nfs/dbraw/zinc/72/52/47/1297725247.db2.gz WEQBTDCOSGXYLA-PKOBYXMFSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960867362 1297725259 /nfs/dbraw/zinc/72/52/59/1297725259.db2.gz WEQBTDCOSGXYLA-PKOBYXMFSA-N 1 3 329.488 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960868610 1297726970 /nfs/dbraw/zinc/72/69/70/1297726970.db2.gz KAPHCFHPKJZELI-HKUYNNGSSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960868610 1297726983 /nfs/dbraw/zinc/72/69/83/1297726983.db2.gz KAPHCFHPKJZELI-HKUYNNGSSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960881119 1297737030 /nfs/dbraw/zinc/73/70/30/1297737030.db2.gz LIBFDXLXYWCAKI-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960881119 1297737038 /nfs/dbraw/zinc/73/70/38/1297737038.db2.gz LIBFDXLXYWCAKI-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO Cc1ccc(I)cc1C[N@@H+](CCN)C(C)C ZINC001235947658 1313421934 /nfs/dbraw/zinc/42/19/34/1313421934.db2.gz MDIQCVSOAMNOFP-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO Cc1ccc(I)cc1C[N@H+](CCN)C(C)C ZINC001235947658 1313421935 /nfs/dbraw/zinc/42/19/35/1313421935.db2.gz MDIQCVSOAMNOFP-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960886734 1297745259 /nfs/dbraw/zinc/74/52/59/1297745259.db2.gz ZCNBNQLOEVWKRG-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960886734 1297745270 /nfs/dbraw/zinc/74/52/70/1297745270.db2.gz ZCNBNQLOEVWKRG-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C[C@@H]3CCC[NH2+]C3)C1)C2 ZINC001236007577 1313431024 /nfs/dbraw/zinc/43/10/24/1313431024.db2.gz WIAZUCQYOPVOCF-HGHGUNKESA-N 1 3 342.483 2.581 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206274838 1313429598 /nfs/dbraw/zinc/42/95/98/1313429598.db2.gz LOLIREVMFVIOQT-GRRFOWRYSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNC/C(Cl)=C/Cl)CC1 ZINC001206274838 1313429600 /nfs/dbraw/zinc/42/96/00/1313429600.db2.gz LOLIREVMFVIOQT-GRRFOWRYSA-N 1 3 348.318 2.618 20 0 EFADHO Fc1c(C[NH+]2CCCCC2)cccc1-c1ncnc2c1CCNC2 ZINC001236002823 1313429960 /nfs/dbraw/zinc/42/99/60/1313429960.db2.gz OEZBTGQOAJTEGU-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275694 1313429996 /nfs/dbraw/zinc/42/99/96/1313429996.db2.gz YIGWUGUHANIVJE-ZWKOTPCHSA-N 1 3 337.552 2.839 20 0 EFADHO Nc1ccc(OC(F)(F)F)cc1CN1CC2(C1)CCC[NH2+]CC2 ZINC001236009647 1313430633 /nfs/dbraw/zinc/43/06/33/1313430633.db2.gz NWUNYKALUREPTK-UHFFFAOYSA-N 1 3 329.366 2.743 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001488859590 1297804964 /nfs/dbraw/zinc/80/49/64/1297804964.db2.gz YCXXWZNWKMYQNV-USJZOSNVSA-N 1 3 335.467 2.711 20 0 EFADHO C[C@@H]1C[C@@H](NCc2cccc3c2CC[NH2+]C3)C(=O)N1c1ccccc1 ZINC000903924679 1313426274 /nfs/dbraw/zinc/42/62/74/1313426274.db2.gz GXSAAHBZJBTUCS-FOIQADDNSA-N 1 3 335.451 2.616 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3cccc(C(C)(C)C)c3)C[C@H]1CNCC2 ZINC001236039013 1313432430 /nfs/dbraw/zinc/43/24/30/1313432430.db2.gz OZBQEHVDBDJRDE-WIYYLYMNSA-N 1 3 344.499 2.959 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cccc(C(C)(C)C)c3)C[C@H]1CNCC2 ZINC001236039013 1313432431 /nfs/dbraw/zinc/43/24/31/1313432431.db2.gz OZBQEHVDBDJRDE-WIYYLYMNSA-N 1 3 344.499 2.959 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C(C)C)cc3)C[C@H]1CNCC2 ZINC001236039184 1313432539 /nfs/dbraw/zinc/43/25/39/1313432539.db2.gz YAEMEWLHCGRRQL-UYAOXDASSA-N 1 3 330.472 2.785 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@H]1CNCC2 ZINC001236039184 1313432542 /nfs/dbraw/zinc/43/25/42/1313432542.db2.gz YAEMEWLHCGRRQL-UYAOXDASSA-N 1 3 330.472 2.785 20 0 EFADHO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000903930042 1313434810 /nfs/dbraw/zinc/43/48/10/1313434810.db2.gz QRWCVBBWJGWZKU-RLLQIKCJSA-N 1 3 339.487 2.971 20 0 EFADHO c1ccc2c(c1)CCN1CCN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@H]21 ZINC001236059807 1313435385 /nfs/dbraw/zinc/43/53/85/1313435385.db2.gz LWFKEVMVABSGFY-JOCHJYFZSA-N 1 3 333.479 2.747 20 0 EFADHO c1ccc2c(c1)CCN1CCN(Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001236059808 1313435599 /nfs/dbraw/zinc/43/55/99/1313435599.db2.gz LWFKEVMVABSGFY-QFIPXVFZSA-N 1 3 333.479 2.747 20 0 EFADHO Cc1ccc(-c2cncc(CN3CCC[C@@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236080830 1313439336 /nfs/dbraw/zinc/43/93/36/1313439336.db2.gz XKKKJFNDIUWTAK-OAQYLSRUSA-N 1 3 336.483 2.664 20 0 EFADHO Cc1nc(-c2ccccc2)sc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073697 1313437689 /nfs/dbraw/zinc/43/76/89/1313437689.db2.gz PLVMJYYFUFTVFK-KRWDZBQOSA-N 1 3 342.512 2.726 20 0 EFADHO [NH3+]CC1CN([C@@H]2CCCN(Cc3c[nH]c4cccc(Cl)c34)C2)C1 ZINC001236080182 1313438934 /nfs/dbraw/zinc/43/89/34/1313438934.db2.gz SEHLMSCGGFERPS-OAHLLOKOSA-N 1 3 332.879 2.676 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001236081571 1313439943 /nfs/dbraw/zinc/43/99/43/1313439943.db2.gz QTTDJHYYEPVGIG-UHFFFAOYSA-N 1 3 341.455 2.522 20 0 EFADHO c1cc(-c2ccccc2)oc1CN1CCC(N2CC[NH2+]CC2)CC1 ZINC001236126473 1313444255 /nfs/dbraw/zinc/44/42/55/1313444255.db2.gz AGNGEMKSVFHATK-UHFFFAOYSA-N 1 3 325.456 2.816 20 0 EFADHO Cc1ccc(F)c(CN2CCC([NH+]3CCNCC3)CC2)c1Cl ZINC001236129178 1313444856 /nfs/dbraw/zinc/44/48/56/1313444856.db2.gz PJOYJFOTFNCNRB-UHFFFAOYSA-N 1 3 325.859 2.657 20 0 EFADHO CC(C)COc1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC001236129001 1313444971 /nfs/dbraw/zinc/44/49/71/1313444971.db2.gz UJRKOAPYMFCEGO-UHFFFAOYSA-N 1 3 331.504 2.591 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960981467 1297943603 /nfs/dbraw/zinc/94/36/03/1297943603.db2.gz YPVHBLHMIPPBAY-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960981467 1297943613 /nfs/dbraw/zinc/94/36/13/1297943613.db2.gz YPVHBLHMIPPBAY-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000960981448 1297944016 /nfs/dbraw/zinc/94/40/16/1297944016.db2.gz YHBODKFRAUTOPW-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000960981448 1297944023 /nfs/dbraw/zinc/94/40/23/1297944023.db2.gz YHBODKFRAUTOPW-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960981469 1297944187 /nfs/dbraw/zinc/94/41/87/1297944187.db2.gz YPVHBLHMIPPBAY-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960981469 1297944195 /nfs/dbraw/zinc/94/41/95/1297944195.db2.gz YPVHBLHMIPPBAY-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CC(N2CC[NH2+]CC2)C1 ZINC001236158723 1313448743 /nfs/dbraw/zinc/44/87/43/1313448743.db2.gz BSTQCQJGYOUBQX-KRWDZBQOSA-N 1 3 329.532 2.752 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001206411808 1313449565 /nfs/dbraw/zinc/44/95/65/1313449565.db2.gz UWPMXPMGEMSYTD-DLBZAZTESA-N 1 3 346.519 2.997 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)[C@H]1CCc2ccccc21 ZINC000961027892 1298026758 /nfs/dbraw/zinc/02/67/58/1298026758.db2.gz LQXZGZCLJQJONZ-QUCCMNQESA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)[C@H]1CCc2ccccc21 ZINC000961027892 1298026768 /nfs/dbraw/zinc/02/67/68/1298026768.db2.gz LQXZGZCLJQJONZ-QUCCMNQESA-N 1 3 341.499 2.693 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)CC1CCCCCC1 ZINC000961027865 1298026951 /nfs/dbraw/zinc/02/69/51/1298026951.db2.gz LHHWCQILNBIVCC-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)CC1CCCCCC1 ZINC000961027865 1298026962 /nfs/dbraw/zinc/02/69/62/1298026962.db2.gz LHHWCQILNBIVCC-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028738 1298027449 /nfs/dbraw/zinc/02/74/49/1298027449.db2.gz NYALFBGKMOMCQH-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028738 1298027459 /nfs/dbraw/zinc/02/74/59/1298027459.db2.gz NYALFBGKMOMCQH-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961031501 1298037196 /nfs/dbraw/zinc/03/71/96/1298037196.db2.gz YDRPJAIDSLDYOG-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961031501 1298037203 /nfs/dbraw/zinc/03/72/03/1298037203.db2.gz YDRPJAIDSLDYOG-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033978 1298042105 /nfs/dbraw/zinc/04/21/05/1298042105.db2.gz KRTQCEXOONSJGU-PKOBYXMFSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033978 1298042117 /nfs/dbraw/zinc/04/21/17/1298042117.db2.gz KRTQCEXOONSJGU-PKOBYXMFSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034614 1298042788 /nfs/dbraw/zinc/04/27/88/1298042788.db2.gz NYZVSSNACVGKJQ-VQIMIIECSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034614 1298042794 /nfs/dbraw/zinc/04/27/94/1298042794.db2.gz NYZVSSNACVGKJQ-VQIMIIECSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288291 1313465384 /nfs/dbraw/zinc/46/53/84/1313465384.db2.gz YRDAMXIPIXPHBZ-CRAIPNDOSA-N 1 3 337.458 2.731 20 0 EFADHO CC(C)(C)OC(=O)c1ccc(N2CCN(CCCC[NH3+])CC2)cc1 ZINC001236239417 1313459357 /nfs/dbraw/zinc/45/93/57/1313459357.db2.gz FLAGYIZSXYRFCD-UHFFFAOYSA-N 1 3 333.476 2.503 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2C(C)C)CC[N@@H+]1C ZINC000948920007 1298089600 /nfs/dbraw/zinc/08/96/00/1298089600.db2.gz VQFGRTVVNWLXSU-ZCNNSNEGSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2c3ccccc3CCN2C(C)C)CC[N@H+]1C ZINC000948920007 1298089607 /nfs/dbraw/zinc/08/96/07/1298089607.db2.gz VQFGRTVVNWLXSU-ZCNNSNEGSA-N 1 3 343.515 2.841 20 0 EFADHO Fc1cc(-c2nccc(C3C[NH2+]C3)n2)ccc1CN1CCCCC1 ZINC001236248913 1313460925 /nfs/dbraw/zinc/46/09/25/1313460925.db2.gz LHLLTDFFPSTKAK-UHFFFAOYSA-N 1 3 326.419 2.955 20 0 EFADHO c1ccc(CN(Cc2nc3c(s2)CNCC3)C2CC[NH2+]CC2)cc1 ZINC001236301224 1313466791 /nfs/dbraw/zinc/46/67/91/1313466791.db2.gz XXVJZRYCDWMTLT-UHFFFAOYSA-N 1 3 342.512 2.543 20 0 EFADHO Cc1nc(Cl)c(CCN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(Cl)n1 ZINC001236314221 1313467715 /nfs/dbraw/zinc/46/77/15/1313467715.db2.gz LPUVVYRWISORKN-TXEJJXNPSA-N 1 3 329.275 2.566 20 0 EFADHO c1c([C@H]2CNCCO2)cn2c1cccc2-c1cccc2c1CC[NH2+]C2 ZINC001236352701 1313473128 /nfs/dbraw/zinc/47/31/28/1313473128.db2.gz IQSZXAOPDUNAFD-OAQYLSRUSA-N 1 3 333.435 2.913 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCF)c1 ZINC001049912434 1313473333 /nfs/dbraw/zinc/47/33/33/1313473333.db2.gz KRNQBNGUAWDGKJ-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCF)c1 ZINC001049912434 1313473335 /nfs/dbraw/zinc/47/33/35/1313473335.db2.gz KRNQBNGUAWDGKJ-MOPGFXCFSA-N 1 3 347.478 2.787 20 0 EFADHO COC(=O)c1ccc2c(C[N@@H+]3CCCC[C@@](C)(CN)C3)c[nH]c2c1 ZINC001206548135 1313474224 /nfs/dbraw/zinc/47/42/24/1313474224.db2.gz HKLGRLQBRBQYGP-IBGZPJMESA-N 1 3 329.444 2.905 20 0 EFADHO COC(=O)c1ccc2c(C[N@H+]3CCCC[C@@](C)(CN)C3)c[nH]c2c1 ZINC001206548135 1313474226 /nfs/dbraw/zinc/47/42/26/1313474226.db2.gz HKLGRLQBRBQYGP-IBGZPJMESA-N 1 3 329.444 2.905 20 0 EFADHO CC(C)(C)OC(=O)NCCN(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373836 1313474839 /nfs/dbraw/zinc/47/48/39/1313474839.db2.gz LWABPUGYGWXLHE-HNNXBMFYSA-N 1 3 325.497 2.755 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017694796 1313478449 /nfs/dbraw/zinc/47/84/49/1313478449.db2.gz BWWIEKWWFFSDPA-OKYOBFRVSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017694796 1313478451 /nfs/dbraw/zinc/47/84/51/1313478451.db2.gz BWWIEKWWFFSDPA-OKYOBFRVSA-N 1 3 335.536 2.828 20 0 EFADHO c1cc(CN2CCOC[C@@H]2C2CCCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236433421 1313480433 /nfs/dbraw/zinc/48/04/33/1313480433.db2.gz HWUAKLRJDHOZIS-OAQYLSRUSA-N 1 3 343.515 2.877 20 0 EFADHO c1cc(CN2CCOC[C@H]2C2CCCCC2)cc(N2CC[NH2+]CC2)c1 ZINC001236433417 1313480519 /nfs/dbraw/zinc/48/05/19/1313480519.db2.gz HWUAKLRJDHOZIS-NRFANRHFSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCCCN1CCN(C)CC1 ZINC001206591208 1313480782 /nfs/dbraw/zinc/48/07/82/1313480782.db2.gz QWHXHJXPMAOAGP-CTNGQTDRSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCN1CCN(C)CC1 ZINC001206591208 1313480785 /nfs/dbraw/zinc/48/07/85/1313480785.db2.gz QWHXHJXPMAOAGP-CTNGQTDRSA-N 1 3 345.531 2.551 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181178 1298258560 /nfs/dbraw/zinc/25/85/60/1298258560.db2.gz IUNQMLWKGRBGMA-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181178 1298258568 /nfs/dbraw/zinc/25/85/68/1298258568.db2.gz IUNQMLWKGRBGMA-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181182 1298259305 /nfs/dbraw/zinc/25/93/05/1298259305.db2.gz IUNQMLWKGRBGMA-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181182 1298259312 /nfs/dbraw/zinc/25/93/12/1298259312.db2.gz IUNQMLWKGRBGMA-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017706360 1313485985 /nfs/dbraw/zinc/48/59/85/1313485985.db2.gz LXLCJTQYIDBHNN-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230774 1298373985 /nfs/dbraw/zinc/37/39/85/1298373985.db2.gz LLJCPKVCPNIWIR-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230774 1298373997 /nfs/dbraw/zinc/37/39/97/1298373997.db2.gz LLJCPKVCPNIWIR-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO O[C@@]1(C(F)(F)F)CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206811202 1313515033 /nfs/dbraw/zinc/51/50/33/1313515033.db2.gz RSCMQWIDRYDCAG-INIZCTEOSA-N 1 3 328.378 2.612 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001211283610 1314468752 /nfs/dbraw/zinc/46/87/52/1314468752.db2.gz HGTVGEGJOIEEBK-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(-c2ccccc2)on1 ZINC001206842838 1313522445 /nfs/dbraw/zinc/52/24/45/1313522445.db2.gz YMCIPQNOCCBIGO-RBUKOAKNSA-N 1 3 340.471 2.552 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(-c2ccccc2)on1 ZINC001206842838 1313522450 /nfs/dbraw/zinc/52/24/50/1313522450.db2.gz YMCIPQNOCCBIGO-RBUKOAKNSA-N 1 3 340.471 2.552 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001017767635 1313518518 /nfs/dbraw/zinc/51/85/18/1313518518.db2.gz QYCFQWJQJPGWDR-DBYSVDLZSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC[NH+](C)C ZINC001017767603 1313518562 /nfs/dbraw/zinc/51/85/62/1313518562.db2.gz OWCWCZSRGMIQJX-KDURUIRLSA-N 1 3 343.515 2.736 20 0 EFADHO CC(C)(C)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767260 1313525520 /nfs/dbraw/zinc/52/55/20/1313525520.db2.gz LRDYZRIHYVEKAN-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767260 1313525522 /nfs/dbraw/zinc/52/55/22/1313525522.db2.gz LRDYZRIHYVEKAN-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767260 1313525525 /nfs/dbraw/zinc/52/55/25/1313525525.db2.gz LRDYZRIHYVEKAN-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236767260 1313525529 /nfs/dbraw/zinc/52/55/29/1313525529.db2.gz LRDYZRIHYVEKAN-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC000961372996 1298635907 /nfs/dbraw/zinc/63/59/07/1298635907.db2.gz FKRKRGPMGCGZQK-OALUTQOASA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1)N(C)C ZINC000961372996 1298635917 /nfs/dbraw/zinc/63/59/17/1298635917.db2.gz FKRKRGPMGCGZQK-OALUTQOASA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961372398 1298636865 /nfs/dbraw/zinc/63/68/65/1298636865.db2.gz CJWQSHJUGZYRAL-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961372398 1298636876 /nfs/dbraw/zinc/63/68/76/1298636876.db2.gz CJWQSHJUGZYRAL-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373412 1298639007 /nfs/dbraw/zinc/63/90/07/1298639007.db2.gz HCICHEMMPWPVRT-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373412 1298639020 /nfs/dbraw/zinc/63/90/20/1298639020.db2.gz HCICHEMMPWPVRT-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377083 1298646156 /nfs/dbraw/zinc/64/61/56/1298646156.db2.gz XAUKURHTQICINR-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377083 1298646167 /nfs/dbraw/zinc/64/61/67/1298646167.db2.gz XAUKURHTQICINR-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961377390 1298647595 /nfs/dbraw/zinc/64/75/95/1298647595.db2.gz HDTNGKLPLDQBGO-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961377390 1298647603 /nfs/dbraw/zinc/64/76/03/1298647603.db2.gz HDTNGKLPLDQBGO-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCCF)C2)CC1)N(C)C ZINC000961379935 1298652732 /nfs/dbraw/zinc/65/27/32/1298652732.db2.gz XHGHTJSJNZHRBY-ZWKOTPCHSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCCF)C2)CC1)N(C)C ZINC000961379935 1298652745 /nfs/dbraw/zinc/65/27/45/1298652745.db2.gz XHGHTJSJNZHRBY-ZWKOTPCHSA-N 1 3 341.515 2.637 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000961406970 1298700933 /nfs/dbraw/zinc/70/09/33/1298700933.db2.gz UCZVPJIHDSYAMR-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000961406970 1298700947 /nfs/dbraw/zinc/70/09/47/1298700947.db2.gz UCZVPJIHDSYAMR-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001490300801 1298721511 /nfs/dbraw/zinc/72/15/11/1298721511.db2.gz MOEWEKNVCVVJEQ-WMZOPIPTSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001490300801 1298721520 /nfs/dbraw/zinc/72/15/20/1298721520.db2.gz MOEWEKNVCVVJEQ-WMZOPIPTSA-N 1 3 341.515 2.970 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2csc(C)c2)CC1 ZINC001206890327 1313541339 /nfs/dbraw/zinc/54/13/39/1313541339.db2.gz LSKJQLVQBODJPF-UHFFFAOYSA-N 1 3 337.533 2.727 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cccnc1C ZINC001490309227 1298752554 /nfs/dbraw/zinc/75/25/54/1298752554.db2.gz ILEMHRLEQPZLPZ-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001206928574 1313557436 /nfs/dbraw/zinc/55/74/36/1313557436.db2.gz AKWVDMFCCLBVOE-TWGQIWQCSA-N 1 3 341.499 2.624 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001206954498 1313570006 /nfs/dbraw/zinc/57/00/06/1313570006.db2.gz LGVHYSTYZWQEQL-CEXWTWQISA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001206954833 1313571057 /nfs/dbraw/zinc/57/10/57/1313571057.db2.gz ZQWHXCFIIPSTQZ-KRWDZBQOSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222290 1299031987 /nfs/dbraw/zinc/03/19/87/1299031987.db2.gz QLRZKOYAROEVLI-IRXDYDNUSA-N 1 3 340.471 2.884 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222290 1299031999 /nfs/dbraw/zinc/03/19/99/1299031999.db2.gz QLRZKOYAROEVLI-IRXDYDNUSA-N 1 3 340.471 2.884 20 0 EFADHO CCCN(C(=O)CN1CCC(C)CC1)C1CC[NH+](CCCF)CC1 ZINC001490621799 1299050919 /nfs/dbraw/zinc/05/09/19/1299050919.db2.gz GEZGAHUMCNTXGJ-UHFFFAOYSA-N 1 3 341.515 2.781 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110615291 1299106375 /nfs/dbraw/zinc/10/63/75/1299106375.db2.gz MMDQKWZYAWQYDF-WCMNNEMMSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110615291 1299106379 /nfs/dbraw/zinc/10/63/79/1299106379.db2.gz MMDQKWZYAWQYDF-WCMNNEMMSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110615288 1299106464 /nfs/dbraw/zinc/10/64/64/1299106464.db2.gz MMDQKWZYAWQYDF-JRDRHZIOSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110615288 1299106468 /nfs/dbraw/zinc/10/64/68/1299106468.db2.gz MMDQKWZYAWQYDF-JRDRHZIOSA-N 1 3 339.499 2.744 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCC(C)(C)CC4)C[C@H]32)C1 ZINC000961793127 1299116587 /nfs/dbraw/zinc/11/65/87/1299116587.db2.gz YTTBCBZHISNHMM-LBKNJMOBSA-N 1 3 347.547 2.591 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCC(C)(C)CC4)C[C@H]32)C1 ZINC000961793127 1299116592 /nfs/dbraw/zinc/11/65/92/1299116592.db2.gz YTTBCBZHISNHMM-LBKNJMOBSA-N 1 3 347.547 2.591 20 0 EFADHO CCCC[C@H](CC)CN1C[C@@H]2CN(CC[NH+]3CCCC3)C[C@H](C1)O2 ZINC001278055693 1313590542 /nfs/dbraw/zinc/59/05/42/1313590542.db2.gz JCRUEGBHFCHVMZ-SLFFLAALSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961830319 1299145508 /nfs/dbraw/zinc/14/55/08/1299145508.db2.gz WBDJNBYJPWBPOC-CTWPCTMYSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]C/C=C\Cl)C2CC2)c1 ZINC001490740755 1299177477 /nfs/dbraw/zinc/17/74/77/1299177477.db2.gz FXPPZWBDGDWPQK-ASRSSLEJSA-N 1 3 335.879 2.599 20 0 EFADHO C[NH+]1CCC2(CC1)CN(C[C@@H]1COC(C)(C)O1)Cc1ccccc12 ZINC001278066099 1313603547 /nfs/dbraw/zinc/60/35/47/1313603547.db2.gz FETIGQJVVDMZKM-QGZVFWFLSA-N 1 3 330.472 2.617 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001207068914 1313604539 /nfs/dbraw/zinc/60/45/39/1313604539.db2.gz FZSCLEVUWAHENL-UHFFFAOYSA-N 1 3 338.455 2.670 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001207068914 1313604542 /nfs/dbraw/zinc/60/45/42/1313604542.db2.gz FZSCLEVUWAHENL-UHFFFAOYSA-N 1 3 338.455 2.670 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961944384 1299261731 /nfs/dbraw/zinc/26/17/31/1299261731.db2.gz KQJGRDKAJBYEIU-ZSYWTGECSA-N 1 3 335.536 2.732 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC000961944384 1299261739 /nfs/dbraw/zinc/26/17/39/1299261739.db2.gz KQJGRDKAJBYEIU-ZSYWTGECSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000961948679 1299266158 /nfs/dbraw/zinc/26/61/58/1299266158.db2.gz UQZNFODJUQGUST-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000961948679 1299266170 /nfs/dbraw/zinc/26/61/70/1299266170.db2.gz UQZNFODJUQGUST-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961964520 1299277891 /nfs/dbraw/zinc/27/78/91/1299277891.db2.gz XZDQWAPQELQQJQ-GDAAHCPNSA-N 1 3 335.536 2.734 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC000961964520 1299277903 /nfs/dbraw/zinc/27/79/03/1299277903.db2.gz XZDQWAPQELQQJQ-GDAAHCPNSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccccn1 ZINC000851945650 1299477762 /nfs/dbraw/zinc/47/77/62/1299477762.db2.gz BKDFIXYEENUYKA-IMFGXOCKSA-N 1 3 325.456 2.615 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)c1ccccn1 ZINC000851945650 1299477772 /nfs/dbraw/zinc/47/77/72/1299477772.db2.gz BKDFIXYEENUYKA-IMFGXOCKSA-N 1 3 325.456 2.615 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109050 1299552322 /nfs/dbraw/zinc/55/23/22/1299552322.db2.gz TZEDOSOWMYPZKS-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109050 1299552327 /nfs/dbraw/zinc/55/23/27/1299552327.db2.gz TZEDOSOWMYPZKS-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO Cc1cccc(C[NH2+]CC2CC(NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000962305779 1299566179 /nfs/dbraw/zinc/56/61/79/1299566179.db2.gz MUXDAGOTVURMPN-UHFFFAOYSA-N 1 3 343.515 2.711 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000962309673 1299571740 /nfs/dbraw/zinc/57/17/40/1299571740.db2.gz PYQFXJDAVMPMPK-ZRZPHAQCSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]([NH2+]CC1CC(NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000962311587 1299573006 /nfs/dbraw/zinc/57/30/06/1299573006.db2.gz MSBSLKWVGKLVQS-MUYFXNHWSA-N 1 3 343.515 2.964 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962384959 1299648350 /nfs/dbraw/zinc/64/83/50/1299648350.db2.gz KQOXDDWQOVKAMK-ABHNRTSZSA-N 1 3 349.544 2.995 20 0 EFADHO CN(C)C1CC[NH+](CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)CC1 ZINC001207224663 1313641240 /nfs/dbraw/zinc/64/12/40/1313641240.db2.gz WBNNTHWPZWAHAW-UHFFFAOYSA-N 1 3 337.508 2.850 20 0 EFADHO C[NH+](C)C1CCN(CCC23CC(NC(=O)OC(C)(C)C)(C2)C3)CC1 ZINC001207224663 1313641241 /nfs/dbraw/zinc/64/12/41/1313641241.db2.gz WBNNTHWPZWAHAW-UHFFFAOYSA-N 1 3 337.508 2.850 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2C)CCC12C[NH2+]C2 ZINC001237428759 1313642943 /nfs/dbraw/zinc/64/29/43/1313642943.db2.gz CWBCQSMYZQMTBS-INIZCTEOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2c3ccoc3ccc2F)CCC12C[NH2+]C2 ZINC001237435630 1313643754 /nfs/dbraw/zinc/64/37/54/1313643754.db2.gz JZSODQFMDJPITP-OAHLLOKOSA-N 1 3 346.402 2.547 20 0 EFADHO CC[C@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000852554437 1299756177 /nfs/dbraw/zinc/75/61/77/1299756177.db2.gz MNVGXFFKWWNQFY-IBGZPJMESA-N 1 3 344.503 2.545 20 0 EFADHO COc1ncc(Br)cc1CN(C)C1CCC([NH3+])CC1 ZINC000852740649 1299851121 /nfs/dbraw/zinc/85/11/21/1299851121.db2.gz HTARHFLWHYFZJR-UHFFFAOYSA-N 1 3 328.254 2.554 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001207281944 1313651005 /nfs/dbraw/zinc/65/10/05/1313651005.db2.gz KGEKUPLFIZHBRF-SFHVURJKSA-N 1 3 343.515 2.570 20 0 EFADHO C[C@H](c1ccc(Br)cc1)N1CCN(CCCC[NH3+])CC1 ZINC001237467147 1313651391 /nfs/dbraw/zinc/65/13/91/1313651391.db2.gz ZPFIWPDRTAQIRE-CQSZACIVSA-N 1 3 340.309 2.867 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001207282679 1313651538 /nfs/dbraw/zinc/65/15/38/1313651538.db2.gz UOMQGRPQIFJQRT-YLJYHZDGSA-N 1 3 347.503 2.672 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001207282679 1313651542 /nfs/dbraw/zinc/65/15/42/1313651542.db2.gz UOMQGRPQIFJQRT-YLJYHZDGSA-N 1 3 347.503 2.672 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCC1CCCCC1)CC2 ZINC001207256223 1313647187 /nfs/dbraw/zinc/64/71/87/1313647187.db2.gz FBANTXIYMVOURG-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCC1CCCCC1)CC2 ZINC001207256223 1313647191 /nfs/dbraw/zinc/64/71/91/1313647191.db2.gz FBANTXIYMVOURG-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO COC(=O)c1ccc(OC2CC[NH+](CC(C)(C)CN(C)C)CC2)cc1 ZINC001207285378 1313652507 /nfs/dbraw/zinc/65/25/07/1313652507.db2.gz ITQKZQVLMMCGAV-UHFFFAOYSA-N 1 3 348.487 2.904 20 0 EFADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317698 1313658665 /nfs/dbraw/zinc/65/86/65/1313658665.db2.gz HAHDBDKZONVUGQ-LPHOPBHVSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317698 1313658669 /nfs/dbraw/zinc/65/86/69/1313658669.db2.gz HAHDBDKZONVUGQ-LPHOPBHVSA-N 1 3 337.508 2.804 20 0 EFADHO O[C@@H](CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097658 1300006212 /nfs/dbraw/zinc/00/62/12/1300006212.db2.gz GSQVJEHMOBDCOY-QAPCUYQASA-N 1 3 331.485 2.678 20 0 EFADHO O[C@@H](CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097658 1300006227 /nfs/dbraw/zinc/00/62/27/1300006227.db2.gz GSQVJEHMOBDCOY-QAPCUYQASA-N 1 3 331.485 2.678 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000962783741 1300051522 /nfs/dbraw/zinc/05/15/22/1300051522.db2.gz XUUYPZYULMQPSS-PMOLBWCYSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000962783741 1300051530 /nfs/dbraw/zinc/05/15/30/1300051530.db2.gz XUUYPZYULMQPSS-PMOLBWCYSA-N 1 3 341.499 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962808769 1300086958 /nfs/dbraw/zinc/08/69/58/1300086958.db2.gz PUXCAZIGYREMNV-CTWPCTMYSA-N 1 3 333.520 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC000962808728 1300087253 /nfs/dbraw/zinc/08/72/53/1300087253.db2.gz OIPBINGUHCKPGF-NKELODKYSA-N 1 3 347.478 2.685 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1 ZINC000962810296 1300088883 /nfs/dbraw/zinc/08/88/83/1300088883.db2.gz XIXIVEVMGYAUCJ-VMWRSERWSA-N 1 3 349.544 2.915 20 0 EFADHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001278124559 1313680530 /nfs/dbraw/zinc/68/05/30/1313680530.db2.gz GVKLIHPLNWZOHU-AWEZNQCLSA-N 1 3 345.478 2.590 20 0 EFADHO CCc1n[nH]cc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001237656542 1313687157 /nfs/dbraw/zinc/68/71/57/1313687157.db2.gz YMEQSLAMSZSBTI-UHFFFAOYSA-N 1 3 339.487 2.855 20 0 EFADHO CCc1n[nH]cc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001237656542 1313687160 /nfs/dbraw/zinc/68/71/60/1313687160.db2.gz YMEQSLAMSZSBTI-UHFFFAOYSA-N 1 3 339.487 2.855 20 0 EFADHO Fc1cc(C(F)(F)F)ccc1N1CCN(CC2CC[NH2+]CC2)CC1 ZINC001207440906 1313685381 /nfs/dbraw/zinc/68/53/81/1313685381.db2.gz LKGCRCBODJSACN-UHFFFAOYSA-N 1 3 345.384 2.966 20 0 EFADHO CO[C@H](CN1CCN(CCC2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001207487798 1313699262 /nfs/dbraw/zinc/69/92/62/1313699262.db2.gz RZUSQPYRSNMPDI-OAQYLSRUSA-N 1 3 345.531 2.724 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315193 1300580750 /nfs/dbraw/zinc/58/07/50/1300580750.db2.gz RHIZGYLEJVLBHG-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315193 1300580757 /nfs/dbraw/zinc/58/07/57/1300580757.db2.gz RHIZGYLEJVLBHG-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359703 1300683296 /nfs/dbraw/zinc/68/32/96/1300683296.db2.gz ICWCMKOWGFLMLO-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359703 1300683300 /nfs/dbraw/zinc/68/33/00/1300683300.db2.gz ICWCMKOWGFLMLO-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998205 1300838777 /nfs/dbraw/zinc/83/87/77/1300838777.db2.gz ROGCSFJMKKIKJD-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998205 1300838795 /nfs/dbraw/zinc/83/87/95/1300838795.db2.gz ROGCSFJMKKIKJD-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998211 1300840187 /nfs/dbraw/zinc/84/01/87/1300840187.db2.gz ROGCSFJMKKIKJD-OWCLPIDISA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998211 1300840208 /nfs/dbraw/zinc/84/02/08/1300840208.db2.gz ROGCSFJMKKIKJD-OWCLPIDISA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@H](C(=O)N(C)C)C3)cc21 ZINC001237880100 1313725026 /nfs/dbraw/zinc/72/50/26/1313725026.db2.gz FFLVVFWMDSIHQE-SFHVURJKSA-N 1 3 341.499 2.988 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)C)C3)cc21 ZINC001237880100 1313725030 /nfs/dbraw/zinc/72/50/30/1313725030.db2.gz FFLVVFWMDSIHQE-SFHVURJKSA-N 1 3 341.499 2.988 20 0 EFADHO CCOc1cc(F)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001237923932 1313732100 /nfs/dbraw/zinc/73/21/00/1313732100.db2.gz NSGUOVQTADYYRF-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001096886293 1313740145 /nfs/dbraw/zinc/74/01/45/1313740145.db2.gz IOOAUESMJGVTAL-OMLYQKCNSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001096886293 1313740150 /nfs/dbraw/zinc/74/01/50/1313740150.db2.gz IOOAUESMJGVTAL-OMLYQKCNSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001096886293 1313740153 /nfs/dbraw/zinc/74/01/53/1313740153.db2.gz IOOAUESMJGVTAL-OMLYQKCNSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001096886293 1313740156 /nfs/dbraw/zinc/74/01/56/1313740156.db2.gz IOOAUESMJGVTAL-OMLYQKCNSA-N 1 3 339.483 2.516 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c2ccoc2ccc1F ZINC001278172832 1313740349 /nfs/dbraw/zinc/74/03/49/1313740349.db2.gz DEVNDQQMEDTUHE-ROUUACIJSA-N 1 3 331.435 2.782 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c2ccoc2ccc1F ZINC001278172832 1313740354 /nfs/dbraw/zinc/74/03/54/1313740354.db2.gz DEVNDQQMEDTUHE-ROUUACIJSA-N 1 3 331.435 2.782 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1c3ccoc3ccc1F)C2 ZINC001278173795 1313741691 /nfs/dbraw/zinc/74/16/91/1313741691.db2.gz SIWDSMQIMHTJMO-CABCVRRESA-N 1 3 331.435 2.640 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246316680 1301121938 /nfs/dbraw/zinc/12/19/38/1301121938.db2.gz KEVZNEFSDRUKCR-SJORKVTESA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246316680 1301121949 /nfs/dbraw/zinc/12/19/49/1301121949.db2.gz KEVZNEFSDRUKCR-SJORKVTESA-N 1 3 339.524 2.953 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001202495246 1301229721 /nfs/dbraw/zinc/22/97/21/1301229721.db2.gz ATNBUJNAIWGDFH-CXKPLTABSA-N 1 3 341.499 2.765 20 0 EFADHO CCC[N@H+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772128 1313769434 /nfs/dbraw/zinc/76/94/34/1313769434.db2.gz BKAALQBTIAGQBP-CALCHBBNSA-N 1 3 337.508 2.517 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772128 1313769438 /nfs/dbraw/zinc/76/94/38/1313769438.db2.gz BKAALQBTIAGQBP-CALCHBBNSA-N 1 3 337.508 2.517 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001207750186 1313764728 /nfs/dbraw/zinc/76/47/28/1313764728.db2.gz MEFOQTNJPMTFTB-SOLBZPMBSA-N 1 3 331.504 2.914 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001207750186 1313764732 /nfs/dbraw/zinc/76/47/32/1313764732.db2.gz MEFOQTNJPMTFTB-SOLBZPMBSA-N 1 3 331.504 2.914 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001207757766 1313765758 /nfs/dbraw/zinc/76/57/58/1313765758.db2.gz LVXYNHAWGLNVPK-ATZDWAIDSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001207757766 1313765761 /nfs/dbraw/zinc/76/57/61/1313765761.db2.gz LVXYNHAWGLNVPK-ATZDWAIDSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C ZINC001207757773 1313766141 /nfs/dbraw/zinc/76/61/41/1313766141.db2.gz MCOQGQNLKYFGDW-GPQLOAJWSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C ZINC001207757773 1313766144 /nfs/dbraw/zinc/76/61/44/1313766144.db2.gz MCOQGQNLKYFGDW-GPQLOAJWSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207796704 1313777067 /nfs/dbraw/zinc/77/70/67/1313777067.db2.gz ZWJZAQNYUFLLQI-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207796704 1313777069 /nfs/dbraw/zinc/77/70/69/1313777069.db2.gz ZWJZAQNYUFLLQI-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]CCC3CC3)CC2)CC1 ZINC000964035170 1301635952 /nfs/dbraw/zinc/63/59/52/1301635952.db2.gz QGYABWOGEMCKDT-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)CCN1CCN(CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207841782 1313785062 /nfs/dbraw/zinc/78/50/62/1313785062.db2.gz IBPGWCAUFOJBHE-UHFFFAOYSA-N 1 3 343.437 2.817 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]C/C=C\Cl)CC2)C1 ZINC001202502603 1301731427 /nfs/dbraw/zinc/73/14/27/1301731427.db2.gz FRSVXTKTCRHTDI-RLXIPRIJSA-N 1 3 345.890 2.532 20 0 EFADHO CC[NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)c1ccc2ccccc2c1 ZINC001278207347 1313789760 /nfs/dbraw/zinc/78/97/60/1313789760.db2.gz PUZPXJMARMQFMK-IBGZPJMESA-N 1 3 336.439 2.881 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018311034 1313805718 /nfs/dbraw/zinc/80/57/18/1313805718.db2.gz XPDRPCDKAQKITI-OKYOBFRVSA-N 1 3 335.536 2.828 20 0 EFADHO COCCN1CCC[C@H]1COC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000861036875 1301994214 /nfs/dbraw/zinc/99/42/14/1301994214.db2.gz UHUNHVMYNDUWME-IBGZPJMESA-N 1 3 346.471 2.550 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccsc1)N1CCCC1 ZINC001037057323 1302077255 /nfs/dbraw/zinc/07/72/55/1302077255.db2.gz UBTMMZXJKQUDAZ-DLBZAZTESA-N 1 3 349.544 2.997 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000861631523 1302175220 /nfs/dbraw/zinc/17/52/20/1302175220.db2.gz AIKYKFVAFKUWTK-XJKSGUPXSA-N 1 3 340.899 2.712 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208014259 1313824785 /nfs/dbraw/zinc/82/47/85/1313824785.db2.gz OGPBWBMBGNEFKQ-ZIAGYGMSSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208014259 1313824787 /nfs/dbraw/zinc/82/47/87/1313824787.db2.gz OGPBWBMBGNEFKQ-ZIAGYGMSSA-N 1 3 348.318 2.759 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000862481976 1302393867 /nfs/dbraw/zinc/39/38/67/1302393867.db2.gz BYEOCPDAORWUBE-GPMSIDNRSA-N 1 3 337.508 2.565 20 0 EFADHO COc1cc(C)cc(F)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001238591002 1313842965 /nfs/dbraw/zinc/84/29/65/1313842965.db2.gz UUFFDHFTEMCUKY-UHFFFAOYSA-N 1 3 349.494 2.602 20 0 EFADHO C[NH+]1CCC(C)(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001208109952 1313849682 /nfs/dbraw/zinc/84/96/82/1313849682.db2.gz QBRAYUWWPJBAHX-HZPDHXFCSA-N 1 3 337.508 2.660 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@H]1CCC(C)=C[C@H]1C)CC2 ZINC001208161764 1313858189 /nfs/dbraw/zinc/85/81/89/1313858189.db2.gz OBRRSRZKLAFDNR-QZTJIDSGSA-N 1 3 333.520 2.655 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@H]1CCC(C)=C[C@H]1C)CC2 ZINC001208161764 1313858190 /nfs/dbraw/zinc/85/81/90/1313858190.db2.gz OBRRSRZKLAFDNR-QZTJIDSGSA-N 1 3 333.520 2.655 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@@H](C)SC)CC2)C1 ZINC001208142244 1313855209 /nfs/dbraw/zinc/85/52/09/1313855209.db2.gz NYAHLVKZWFAPMQ-CVEARBPZSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@@H](C)SC)CC2)C1 ZINC001208142244 1313855212 /nfs/dbraw/zinc/85/52/12/1313855212.db2.gz NYAHLVKZWFAPMQ-CVEARBPZSA-N 1 3 342.549 2.868 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184086 1313863777 /nfs/dbraw/zinc/86/37/77/1313863777.db2.gz IMCBKKQXYXTSBQ-HIFRSBDPSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184086 1313863780 /nfs/dbraw/zinc/86/37/80/1313863780.db2.gz IMCBKKQXYXTSBQ-HIFRSBDPSA-N 1 3 340.405 2.836 20 0 EFADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3(CN(C)C)CCCC3)O2)n1 ZINC001208187227 1313864966 /nfs/dbraw/zinc/86/49/66/1313864966.db2.gz SFSNADOWGCASFE-ZACQAIPSSA-N 1 3 348.491 2.794 20 0 EFADHO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3(CN(C)C)CCCC3)O2)n1 ZINC001208187227 1313864970 /nfs/dbraw/zinc/86/49/70/1313864970.db2.gz SFSNADOWGCASFE-ZACQAIPSSA-N 1 3 348.491 2.794 20 0 EFADHO COc1ccnc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)c1 ZINC001208189036 1313865222 /nfs/dbraw/zinc/86/52/22/1313865222.db2.gz PONSTZVSFNFGIV-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO COc1ccnc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)c1 ZINC001208189036 1313865225 /nfs/dbraw/zinc/86/52/25/1313865225.db2.gz PONSTZVSFNFGIV-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO CC(C)[NH2+]C1CC2(CC(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000965063142 1302786328 /nfs/dbraw/zinc/78/63/28/1302786328.db2.gz KCXHKWSRPQKWER-LBOWEKIUSA-N 1 3 339.499 2.624 20 0 EFADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000794615086 1302856989 /nfs/dbraw/zinc/85/69/89/1302856989.db2.gz UTGBWWWLEKAURU-SFTDATJTSA-N 1 3 347.547 2.750 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119989513 1302876875 /nfs/dbraw/zinc/87/68/75/1302876875.db2.gz WDSHZMAKSBZCEM-PKOBYXMFSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000119989513 1302876888 /nfs/dbraw/zinc/87/68/88/1302876888.db2.gz WDSHZMAKSBZCEM-PKOBYXMFSA-N 1 3 343.515 2.982 20 0 EFADHO COc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1OC(C)C ZINC001238932669 1313884987 /nfs/dbraw/zinc/88/49/87/1313884987.db2.gz TYWVRJODESLFRK-UHFFFAOYSA-N 1 3 327.428 2.954 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cccc(OC(C)(C)C)c2)CC1 ZINC000865412244 1303242532 /nfs/dbraw/zinc/24/25/32/1303242532.db2.gz LJTUNUMGAMYMKS-UHFFFAOYSA-N 1 3 333.520 2.981 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865437203 1303257034 /nfs/dbraw/zinc/25/70/34/1303257034.db2.gz CPTKBZPFYUIQHH-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO CC(C)(C)Oc1cccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000865450524 1303263180 /nfs/dbraw/zinc/26/31/80/1303263180.db2.gz NLHOYHQCAMUDJW-QGZVFWFLSA-N 1 3 347.503 2.541 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)C1CC1 ZINC001208335747 1313902879 /nfs/dbraw/zinc/90/28/79/1313902879.db2.gz ZYBVPJOJUWEZPB-XGRQOQASSA-N 1 3 341.499 2.621 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001208335543 1313903017 /nfs/dbraw/zinc/90/30/17/1313903017.db2.gz VNQSCKIYWDUGND-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965933144 1303466690 /nfs/dbraw/zinc/46/66/90/1303466690.db2.gz PIHRDFIGRZPEML-WZXTXQKWSA-N 1 3 333.520 2.678 20 0 EFADHO CN(CCC[NH3+])CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001239231838 1313917685 /nfs/dbraw/zinc/91/76/85/1313917685.db2.gz TYWUTSONVOWZFT-UHFFFAOYSA-N 1 3 333.263 2.786 20 0 EFADHO Cc1ccc(Cl)c(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239213406 1313914108 /nfs/dbraw/zinc/91/41/08/1313914108.db2.gz BKYYIBKFDAICDM-CYBMUJFWSA-N 1 3 336.867 2.644 20 0 EFADHO CN(C)CCN(C(=O)Nc1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC001239308046 1313924020 /nfs/dbraw/zinc/92/40/20/1313924020.db2.gz OAUQWMFETQNNQO-IBGZPJMESA-N 1 3 340.471 2.987 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001208411498 1313923384 /nfs/dbraw/zinc/92/33/84/1313923384.db2.gz VVBNPEFHJSFKCW-AFCAKZNGSA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001208414324 1313923927 /nfs/dbraw/zinc/92/39/27/1313923927.db2.gz MLUGPDICXWJCEY-RBUKOAKNSA-N 1 3 331.504 2.540 20 0 EFADHO CC1(C)C[NH2+]Cc2cc(NC(=S)NCCN3CCCCC3)ccc21 ZINC001239350233 1313928052 /nfs/dbraw/zinc/92/80/52/1313928052.db2.gz FNXAZBQGIBMMGA-UHFFFAOYSA-N 1 3 346.544 2.840 20 0 EFADHO S=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1 ZINC001239363680 1313929744 /nfs/dbraw/zinc/92/97/44/1313929744.db2.gz RLLAMLCMNCJXEC-CQSZACIVSA-N 1 3 338.908 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001208448046 1313930981 /nfs/dbraw/zinc/93/09/81/1313930981.db2.gz UGYFGIPMUADJJM-LJQANCHMSA-N 1 3 345.531 2.930 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001208448207 1313931358 /nfs/dbraw/zinc/93/13/58/1313931358.db2.gz WURVXNAZQZSVCU-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1c(Cl)cccc1Cl ZINC001239396771 1313932617 /nfs/dbraw/zinc/93/26/17/1313932617.db2.gz NYKHIAZYKSQJMH-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001208454319 1313932979 /nfs/dbraw/zinc/93/29/79/1313932979.db2.gz UTYZFZKWYSBKPX-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001208454384 1313933265 /nfs/dbraw/zinc/93/32/65/1313933265.db2.gz WGUICCQLAPZXBJ-QGZVFWFLSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001037856169 1303729648 /nfs/dbraw/zinc/72/96/48/1303729648.db2.gz YOVHXNORSMWVJO-RTBURBONSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000866666136 1303740242 /nfs/dbraw/zinc/74/02/42/1303740242.db2.gz OFHRKGMCCYPUEH-SFHVURJKSA-N 1 3 329.488 2.812 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001037861391 1303759127 /nfs/dbraw/zinc/75/91/27/1303759127.db2.gz REZVAEHZGHIKGE-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCC(C)(C)CC4)C[C@H]32)CCC1 ZINC001114405565 1303867107 /nfs/dbraw/zinc/86/71/07/1303867107.db2.gz VEWGOVCIZDLPEB-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCC(C)(C)CC4)C[C@H]32)CCC1 ZINC001114405565 1303867113 /nfs/dbraw/zinc/86/71/13/1303867113.db2.gz VEWGOVCIZDLPEB-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405437 1303867273 /nfs/dbraw/zinc/86/72/73/1303867273.db2.gz SJNRGLXHJQXCIO-GDAAHCPNSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405437 1303867277 /nfs/dbraw/zinc/86/72/77/1303867277.db2.gz SJNRGLXHJQXCIO-GDAAHCPNSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208528025 1313953209 /nfs/dbraw/zinc/95/32/09/1313953209.db2.gz XRQYYOYPNHEYOX-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208528025 1313953210 /nfs/dbraw/zinc/95/32/10/1313953210.db2.gz XRQYYOYPNHEYOX-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208527872 1313953226 /nfs/dbraw/zinc/95/32/26/1313953226.db2.gz VRKBMGNCEUUITA-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208527872 1313953227 /nfs/dbraw/zinc/95/32/27/1313953227.db2.gz VRKBMGNCEUUITA-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208527813 1313953231 /nfs/dbraw/zinc/95/32/31/1313953231.db2.gz SLGIAXLIQAIBQE-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208527813 1313953232 /nfs/dbraw/zinc/95/32/32/1313953232.db2.gz SLGIAXLIQAIBQE-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)N(CC)CC ZINC001208574638 1313965299 /nfs/dbraw/zinc/96/52/99/1313965299.db2.gz CGVFDGBWYXCIEE-KURKYZTESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)N(CC)CC ZINC001208574638 1313965302 /nfs/dbraw/zinc/96/53/02/1313965302.db2.gz CGVFDGBWYXCIEE-KURKYZTESA-N 1 3 325.541 2.980 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607300 1313975896 /nfs/dbraw/zinc/97/58/96/1313975896.db2.gz LJCPXZSRXJFJAR-NEPJUHHUSA-N 1 3 332.370 2.610 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607300 1313975898 /nfs/dbraw/zinc/97/58/98/1313975898.db2.gz LJCPXZSRXJFJAR-NEPJUHHUSA-N 1 3 332.370 2.610 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1 ZINC001208607564 1313977111 /nfs/dbraw/zinc/97/71/11/1313977111.db2.gz CRKNLNGGFMMJLX-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1 ZINC001208607564 1313977115 /nfs/dbraw/zinc/97/71/15/1313977115.db2.gz CRKNLNGGFMMJLX-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(C[C@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612063 1313980150 /nfs/dbraw/zinc/98/01/50/1313980150.db2.gz AKFCHTGXALTQAE-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CCN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612063 1313980153 /nfs/dbraw/zinc/98/01/53/1313980153.db2.gz AKFCHTGXALTQAE-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001208615531 1313980771 /nfs/dbraw/zinc/98/07/71/1313980771.db2.gz HLDBIOIXPZQZIL-MRXNPFEDSA-N 1 3 349.906 2.830 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001208615531 1313980774 /nfs/dbraw/zinc/98/07/74/1313980774.db2.gz HLDBIOIXPZQZIL-MRXNPFEDSA-N 1 3 349.906 2.830 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208619601 1313983496 /nfs/dbraw/zinc/98/34/96/1313983496.db2.gz YHXJFNHQLKDMNG-KRWDZBQOSA-N 1 3 344.503 2.923 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208619601 1313983499 /nfs/dbraw/zinc/98/34/99/1313983499.db2.gz YHXJFNHQLKDMNG-KRWDZBQOSA-N 1 3 344.503 2.923 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526812 1304532326 /nfs/dbraw/zinc/53/23/26/1304532326.db2.gz PVXAHUMNBXXHFJ-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO COC(=O)[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001208719420 1314001616 /nfs/dbraw/zinc/00/16/16/1314001616.db2.gz RLYZQTCLPVMLDF-FCLVOEFKSA-N 1 3 330.472 2.906 20 0 EFADHO COC(=O)[C@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001208719420 1314001619 /nfs/dbraw/zinc/00/16/19/1314001619.db2.gz RLYZQTCLPVMLDF-FCLVOEFKSA-N 1 3 330.472 2.906 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203586 1304748503 /nfs/dbraw/zinc/74/85/03/1304748503.db2.gz FDDTXWHOAUOPKY-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203586 1304748508 /nfs/dbraw/zinc/74/85/08/1304748508.db2.gz FDDTXWHOAUOPKY-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC2=CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206746 1304750021 /nfs/dbraw/zinc/75/00/21/1304750021.db2.gz OFTOYEDMNFCNOW-IEBWSBKVSA-N 1 3 345.531 2.942 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001037931579 1304879397 /nfs/dbraw/zinc/87/93/97/1304879397.db2.gz FUSZNKWTWDUEDX-NVXWUHKLSA-N 1 3 346.500 2.739 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001037933094 1304891545 /nfs/dbraw/zinc/89/15/45/1304891545.db2.gz KUUGWLPPDJPMEP-KBXCAEBGSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]3CC2)n(C)n1 ZINC001276592165 1314023103 /nfs/dbraw/zinc/02/31/03/1314023103.db2.gz ZYMULWCXBCLOSL-IYBDPMFKSA-N 1 3 345.516 2.529 20 0 EFADHO Cc1cc(CN2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]3CC2)n(C)n1 ZINC001276592165 1314023104 /nfs/dbraw/zinc/02/31/04/1314023104.db2.gz ZYMULWCXBCLOSL-IYBDPMFKSA-N 1 3 345.516 2.529 20 0 EFADHO c1ccc(CN2CCC=C(c3ncccc3N3CC[NH2+]CC3)C2)cc1 ZINC001240385805 1314026483 /nfs/dbraw/zinc/02/64/83/1314026483.db2.gz LHGPJJXWUBUDDC-UHFFFAOYSA-N 1 3 334.467 2.781 20 0 EFADHO CN1CCN(Cc2ccc(-c3cccc(-n4cc[nH+]c4N)c3)cc2)CC1 ZINC001240408817 1314030472 /nfs/dbraw/zinc/03/04/72/1314030472.db2.gz RKRZOEQILJPKNL-UHFFFAOYSA-N 1 3 347.466 2.869 20 0 EFADHO [O-]c1cccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276591339 1314033378 /nfs/dbraw/zinc/03/33/78/1314033378.db2.gz JJISDUKCFMSHEJ-UHFFFAOYSA-N 1 3 326.444 2.603 20 0 EFADHO [O-]c1cccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276591339 1314033379 /nfs/dbraw/zinc/03/33/79/1314033379.db2.gz JJISDUKCFMSHEJ-UHFFFAOYSA-N 1 3 326.444 2.603 20 0 EFADHO c1c([C@@H]2CNCCO2)cn2c1cccc2-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457518 1314035703 /nfs/dbraw/zinc/03/57/03/1314035703.db2.gz WBCBVGNURWUFOG-NRFANRHFSA-N 1 3 333.435 2.913 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001097406039 1314038177 /nfs/dbraw/zinc/03/81/77/1314038177.db2.gz USCQCPGREBUMEH-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001097406039 1314038181 /nfs/dbraw/zinc/03/81/81/1314038181.db2.gz USCQCPGREBUMEH-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)C12CCCN1CCC2 ZINC001097430203 1314046390 /nfs/dbraw/zinc/04/63/90/1314046390.db2.gz GAWBYQISZITQRW-QRVBRYPASA-N 1 3 345.531 2.917 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)C12CCCN1CCC2 ZINC001097430203 1314046392 /nfs/dbraw/zinc/04/63/92/1314046392.db2.gz GAWBYQISZITQRW-QRVBRYPASA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001208918694 1314046664 /nfs/dbraw/zinc/04/66/64/1314046664.db2.gz KSSOUVAJTPMLBG-ZDUSSCGKSA-N 1 3 348.318 2.760 20 0 EFADHO CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097431080 1314046976 /nfs/dbraw/zinc/04/69/76/1314046976.db2.gz XSLHCGIFYTUIHF-KURKYZTESA-N 1 3 333.520 2.773 20 0 EFADHO CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097431080 1314046980 /nfs/dbraw/zinc/04/69/80/1314046980.db2.gz XSLHCGIFYTUIHF-KURKYZTESA-N 1 3 333.520 2.773 20 0 EFADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718791 1305358970 /nfs/dbraw/zinc/35/89/70/1305358970.db2.gz UWCRBOKJVYPGKS-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718791 1305358981 /nfs/dbraw/zinc/35/89/81/1305358981.db2.gz UWCRBOKJVYPGKS-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCN(C2(c3ccc(-c4ccc5c(n4)CC[NH2+]C5)cc3)CC2)CC1 ZINC001240573346 1314049125 /nfs/dbraw/zinc/04/91/25/1314049125.db2.gz HLOJASVLSBOYMX-UHFFFAOYSA-N 1 3 348.494 2.631 20 0 EFADHO CCC(=O)NC1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937570 1314051612 /nfs/dbraw/zinc/05/16/12/1314051612.db2.gz UNTPVQBZBCPOCL-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CCC(=O)NC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937570 1314051613 /nfs/dbraw/zinc/05/16/13/1314051613.db2.gz UNTPVQBZBCPOCL-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940571 1314052437 /nfs/dbraw/zinc/05/24/37/1314052437.db2.gz DTQNWXBSCKMGFZ-IRXDYDNUSA-N 1 3 342.405 2.755 20 0 EFADHO OC[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940571 1314052439 /nfs/dbraw/zinc/05/24/39/1314052439.db2.gz DTQNWXBSCKMGFZ-IRXDYDNUSA-N 1 3 342.405 2.755 20 0 EFADHO O=C1CCCC2(CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208942050 1314052901 /nfs/dbraw/zinc/05/29/01/1314052901.db2.gz BQYODLYWIYORDA-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=C1CCCC2(CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208942050 1314052904 /nfs/dbraw/zinc/05/29/04/1314052904.db2.gz BQYODLYWIYORDA-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO COC(=O)CC1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942121 1314053115 /nfs/dbraw/zinc/05/31/15/1314053115.db2.gz OLPZZOGWELSBDY-LJQANCHMSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)CC1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942121 1314053119 /nfs/dbraw/zinc/05/31/19/1314053119.db2.gz OLPZZOGWELSBDY-LJQANCHMSA-N 1 3 330.472 2.784 20 0 EFADHO COCC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208948203 1314055346 /nfs/dbraw/zinc/05/53/46/1314055346.db2.gz FNEKXNBOWAHTCF-HXUWFJFHSA-N 1 3 345.531 2.551 20 0 EFADHO COCC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001208948203 1314055349 /nfs/dbraw/zinc/05/53/49/1314055349.db2.gz FNEKXNBOWAHTCF-HXUWFJFHSA-N 1 3 345.531 2.551 20 0 EFADHO COC(=O)[C@H]1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946886 1314055645 /nfs/dbraw/zinc/05/56/45/1314055645.db2.gz JJKSQUCQPMUMDF-RTBURBONSA-N 1 3 342.483 2.784 20 0 EFADHO COC(=O)[C@H]1CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946886 1314055646 /nfs/dbraw/zinc/05/56/46/1314055646.db2.gz JJKSQUCQPMUMDF-RTBURBONSA-N 1 3 342.483 2.784 20 0 EFADHO FC1CN(C2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208954477 1314057262 /nfs/dbraw/zinc/05/72/62/1314057262.db2.gz VOXVDONQSHBXOA-SFHVURJKSA-N 1 3 331.479 2.627 20 0 EFADHO FC1CN(C2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208954477 1314057263 /nfs/dbraw/zinc/05/72/63/1314057263.db2.gz VOXVDONQSHBXOA-SFHVURJKSA-N 1 3 331.479 2.627 20 0 EFADHO COCCCCN1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208962111 1314059149 /nfs/dbraw/zinc/05/91/49/1314059149.db2.gz HOPHLZDPSXRRAO-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO COCCCCN1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208962111 1314059152 /nfs/dbraw/zinc/05/91/52/1314059152.db2.gz HOPHLZDPSXRRAO-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO CC(=O)N1CCC[C@@H](C[N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001208969282 1314060640 /nfs/dbraw/zinc/06/06/40/1314060640.db2.gz BVXRJKNSGUUEES-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC[C@@H](C[N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001208969282 1314060642 /nfs/dbraw/zinc/06/06/42/1314060642.db2.gz BVXRJKNSGUUEES-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC[C@@H](CN(C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001208969282 1314060643 /nfs/dbraw/zinc/06/06/43/1314060643.db2.gz BVXRJKNSGUUEES-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC[C@H](C[N@@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001208969280 1314061039 /nfs/dbraw/zinc/06/10/39/1314061039.db2.gz BVXRJKNSGUUEES-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC[C@H](C[N@H+](C)C2CCN(C3CCCCC3)CC2)C1 ZINC001208969280 1314061040 /nfs/dbraw/zinc/06/10/40/1314061040.db2.gz BVXRJKNSGUUEES-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC[C@H](CN(C)C2CC[NH+](C3CCCCC3)CC2)C1 ZINC001208969280 1314061043 /nfs/dbraw/zinc/06/10/43/1314061043.db2.gz BVXRJKNSGUUEES-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037981970 1305583130 /nfs/dbraw/zinc/58/31/30/1305583130.db2.gz HUMWOJABMRKPME-XLIONFOSSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]C(C)C ZINC001037982372 1305585692 /nfs/dbraw/zinc/58/56/92/1305585692.db2.gz KDBBMFLQGODLHF-HKUYNNGSSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037985588 1305593585 /nfs/dbraw/zinc/59/35/85/1305593585.db2.gz WISMQDXBUPREJJ-ICSRJNTNSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000967924466 1305605412 /nfs/dbraw/zinc/60/54/12/1305605412.db2.gz IOSFPWLUBMWSPQ-MOPGFXCFSA-N 1 3 343.515 2.769 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC001018849033 1314068569 /nfs/dbraw/zinc/06/85/69/1314068569.db2.gz NEYNJSDZWXLBKI-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CC[NH2+]CC1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000870917901 1305681686 /nfs/dbraw/zinc/68/16/86/1305681686.db2.gz AZBUTSOOKXMXLC-IBGZPJMESA-N 1 3 329.488 2.720 20 0 EFADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000870918142 1305682189 /nfs/dbraw/zinc/68/21/89/1305682189.db2.gz DUGARFHTNJZEFE-OTWHNJEPSA-N 1 3 329.488 2.847 20 0 EFADHO CCCN(C)CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870964341 1305714913 /nfs/dbraw/zinc/71/49/13/1305714913.db2.gz YOQXUEMLYROAOU-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1)N(C)C ZINC001202532435 1305789013 /nfs/dbraw/zinc/78/90/13/1305789013.db2.gz XXWQZGOZUXKCLX-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000871187146 1305874408 /nfs/dbraw/zinc/87/44/08/1305874408.db2.gz ABXFYQCATGPZOM-IBGZPJMESA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000968155026 1305922754 /nfs/dbraw/zinc/92/27/54/1305922754.db2.gz PUBFGZQOPPVNKZ-FXAWDEMLSA-N 1 3 343.515 2.663 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccc(F)cc1Cl ZINC001209113394 1314091504 /nfs/dbraw/zinc/09/15/04/1314091504.db2.gz RVRWNUREKKPXFA-UHFFFAOYSA-N 1 3 344.858 2.838 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccc(F)cc1Cl ZINC001209113394 1314091507 /nfs/dbraw/zinc/09/15/07/1314091507.db2.gz RVRWNUREKKPXFA-UHFFFAOYSA-N 1 3 344.858 2.838 20 0 EFADHO Cc1ccc(CN2CC[C@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000968188885 1305965668 /nfs/dbraw/zinc/96/56/68/1305965668.db2.gz DULVITFBHAVUKW-FXAWDEMLSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1 ZINC001095962825 1306117149 /nfs/dbraw/zinc/11/71/49/1306117149.db2.gz IIWSVGJBMVONDS-AABGKKOBSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)c1 ZINC001095963038 1306119008 /nfs/dbraw/zinc/11/90/08/1306119008.db2.gz RAOAPUZEKZYNLK-AABGKKOBSA-N 1 3 341.499 2.558 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cc4ccccc4o3)C2)CCC1 ZINC001018962741 1314112603 /nfs/dbraw/zinc/11/26/03/1314112603.db2.gz KIOADDJPDFZLIR-INIZCTEOSA-N 1 3 341.455 2.608 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CCC1 ZINC001018962981 1314112629 /nfs/dbraw/zinc/11/26/29/1314112629.db2.gz SPRVPOAWHXRZBO-PKOBYXMFSA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C3CC3)C2)CCC1 ZINC001018963138 1314112981 /nfs/dbraw/zinc/11/29/81/1314112981.db2.gz APUXXEUEYDUJLQ-SFHVURJKSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cncc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001276623682 1314113894 /nfs/dbraw/zinc/11/38/94/1314113894.db2.gz KFRNSVIEUWRRFV-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1cncc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001276623682 1314113898 /nfs/dbraw/zinc/11/38/98/1314113898.db2.gz KFRNSVIEUWRRFV-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000968417256 1306285737 /nfs/dbraw/zinc/28/57/37/1306285737.db2.gz DXYMDVLOIJAMBK-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001018971681 1314117573 /nfs/dbraw/zinc/11/75/73/1314117573.db2.gz NTSYHLGKDIHYIO-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001018971510 1314117738 /nfs/dbraw/zinc/11/77/38/1314117738.db2.gz DISXNPZVDORPML-PKOBYXMFSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001018999535 1314126876 /nfs/dbraw/zinc/12/68/76/1314126876.db2.gz WRUPRUIQJCUZIL-JVPBZIDWSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001019000691 1314127077 /nfs/dbraw/zinc/12/70/77/1314127077.db2.gz JKYPWKMNRFCGOR-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO c1ccc(CN2CC=C(c3cnc(O[C@H]4CC[NH2+]C4)nc3)CC2)cc1 ZINC001241504742 1314127281 /nfs/dbraw/zinc/12/72/81/1314127281.db2.gz ZDEUUWJKACOGHA-IBGZPJMESA-N 1 3 336.439 2.507 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001019001867 1314127643 /nfs/dbraw/zinc/12/76/43/1314127643.db2.gz ALFHNLGSMZNNIH-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922235 1306487670 /nfs/dbraw/zinc/48/76/70/1306487670.db2.gz VKAUHRRXMKHIDE-MZADBLRESA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922235 1306487674 /nfs/dbraw/zinc/48/76/74/1306487674.db2.gz VKAUHRRXMKHIDE-MZADBLRESA-N 1 3 333.520 2.654 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)CC1 ZINC001209288646 1314131621 /nfs/dbraw/zinc/13/16/21/1314131621.db2.gz WZYJYDLYYIWEFR-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)n1nccc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276630897 1314134370 /nfs/dbraw/zinc/13/43/70/1314134370.db2.gz PERNDJCLKBJFDV-MOPGFXCFSA-N 1 3 333.524 2.550 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCCC1 ZINC000968672270 1306554923 /nfs/dbraw/zinc/55/49/23/1306554923.db2.gz DUTVEKVNNGZSBS-QGZVFWFLSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673775 1306555781 /nfs/dbraw/zinc/55/57/81/1306555781.db2.gz MAPGPTIVDMBYSY-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673775 1306555783 /nfs/dbraw/zinc/55/57/83/1306555783.db2.gz MAPGPTIVDMBYSY-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674303 1306556861 /nfs/dbraw/zinc/55/68/61/1306556861.db2.gz QKJLXLOALYAFMW-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674303 1306556865 /nfs/dbraw/zinc/55/68/65/1306556865.db2.gz QKJLXLOALYAFMW-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674133 1306557434 /nfs/dbraw/zinc/55/74/34/1306557434.db2.gz PLDKEJVFSGNWMD-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674133 1306557437 /nfs/dbraw/zinc/55/74/37/1306557437.db2.gz PLDKEJVFSGNWMD-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674137 1306557584 /nfs/dbraw/zinc/55/75/84/1306557584.db2.gz PLDKEJVFSGNWMD-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674137 1306557585 /nfs/dbraw/zinc/55/75/85/1306557585.db2.gz PLDKEJVFSGNWMD-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683067 1306565212 /nfs/dbraw/zinc/56/52/12/1306565212.db2.gz XXBLWLIJTPSJIC-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683067 1306565215 /nfs/dbraw/zinc/56/52/15/1306565215.db2.gz XXBLWLIJTPSJIC-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc(N2CCN(CCCC3OCCO3)CC2)c2ccccc2[nH+]1 ZINC001209305063 1314135813 /nfs/dbraw/zinc/13/58/13/1314135813.db2.gz YLJXHOUVPBAWQM-UHFFFAOYSA-N 1 3 341.455 2.818 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001209304193 1314135823 /nfs/dbraw/zinc/13/58/23/1314135823.db2.gz OKWKVKCBQTVCBV-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](N[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001209304194 1314136001 /nfs/dbraw/zinc/13/60/01/1314136001.db2.gz OKWKVKCBQTVCBV-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001209314875 1314137845 /nfs/dbraw/zinc/13/78/45/1314137845.db2.gz MDGFCKWZGBXUEH-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628117 1306672215 /nfs/dbraw/zinc/67/22/15/1306672215.db2.gz FUTLQVQSRKVHIG-QAPCUYQASA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628116 1306672242 /nfs/dbraw/zinc/67/22/42/1306672242.db2.gz FUTLQVQSRKVHIG-MAUKXSAKSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628466 1306672323 /nfs/dbraw/zinc/67/23/23/1306672323.db2.gz IFIPDSHRLAFPIJ-CVEARBPZSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627786 1306672379 /nfs/dbraw/zinc/67/23/79/1306672379.db2.gz CGHBQSRUOQQOLN-YJBOKZPZSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN(C)C1CCC1 ZINC001044628099 1306672590 /nfs/dbraw/zinc/67/25/90/1306672590.db2.gz FRTMOIQAWFIHFH-WBVHZDCISA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001044629765 1306673370 /nfs/dbraw/zinc/67/33/70/1306673370.db2.gz PNRZOTISEQUKFS-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001044629766 1306673836 /nfs/dbraw/zinc/67/38/36/1306673836.db2.gz PNRZOTISEQUKFS-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC001019032344 1314142894 /nfs/dbraw/zinc/14/28/94/1314142894.db2.gz QZFXICTTYYLAQQ-CGTJXYLNSA-N 1 3 349.906 2.858 20 0 EFADHO CCN1CCN(c2ccc(-c3cc(C)c4c(n3)CC[NH2+]C4)cc2)CC1 ZINC001241738812 1314143406 /nfs/dbraw/zinc/14/34/06/1314143406.db2.gz RWICCAKAZWVXKN-UHFFFAOYSA-N 1 3 336.483 2.845 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001019033493 1314143746 /nfs/dbraw/zinc/14/37/46/1314143746.db2.gz QDIGSVKPEJICGD-YTQUADARSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001019034983 1314144127 /nfs/dbraw/zinc/14/41/27/1314144127.db2.gz VNIUXOVNDQFPPJ-XOKHGSTOSA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC[N@@H+]1C ZINC000968864237 1306735726 /nfs/dbraw/zinc/73/57/26/1306735726.db2.gz STJQUTNMIAYCPT-RBSFLKMASA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC[N@H+]1C ZINC000968864237 1306735728 /nfs/dbraw/zinc/73/57/28/1306735728.db2.gz STJQUTNMIAYCPT-RBSFLKMASA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044748492 1306770331 /nfs/dbraw/zinc/77/03/31/1306770331.db2.gz DNCUYPWBGFRZRF-SJLPKXTDSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1C ZINC001044749448 1306770360 /nfs/dbraw/zinc/77/03/60/1306770360.db2.gz KFELLIXOGKKRTN-WMZOPIPTSA-N 1 3 340.471 2.738 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044748183 1306770402 /nfs/dbraw/zinc/77/04/02/1306770402.db2.gz BTQCPOXBDHTPOU-MAUKXSAKSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1C ZINC001044749446 1306770652 /nfs/dbraw/zinc/77/06/52/1306770652.db2.gz KFELLIXOGKKRTN-FUHWJXTLSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749652 1306770947 /nfs/dbraw/zinc/77/09/47/1306770947.db2.gz KFUFCDWVGWDQKV-IAGOWNOFSA-N 1 3 340.471 2.738 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044748184 1306771163 /nfs/dbraw/zinc/77/11/63/1306771163.db2.gz BTQCPOXBDHTPOU-QAPCUYQASA-N 1 3 340.471 2.684 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044752391 1306772974 /nfs/dbraw/zinc/77/29/74/1306772974.db2.gz XTJMKDKVKMWDDX-AEFFLSMTSA-N 1 3 340.471 2.738 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000968904341 1306777265 /nfs/dbraw/zinc/77/72/65/1306777265.db2.gz PTFPCYYBMBTJFI-RHSMWYFYSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968903910 1306777371 /nfs/dbraw/zinc/77/73/71/1306777371.db2.gz AQMFDDMVUIKTBZ-GOSISDBHSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000968904352 1306777953 /nfs/dbraw/zinc/77/79/53/1306777953.db2.gz QCKQXYVEILAJEP-WMLDXEAASA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000968907238 1306780656 /nfs/dbraw/zinc/78/06/56/1306780656.db2.gz IKTWZVMZHZYBAZ-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000968907225 1306780936 /nfs/dbraw/zinc/78/09/36/1306780936.db2.gz GZXXHCZQRVNPAT-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC000968912780 1306786011 /nfs/dbraw/zinc/78/60/11/1306786011.db2.gz RPBBMHQXSCYFGC-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000968912631 1306786191 /nfs/dbraw/zinc/78/61/91/1306786191.db2.gz NDSRDXRPMQQFKR-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000968921795 1306799023 /nfs/dbraw/zinc/79/90/23/1306799023.db2.gz JTEPJIALMYQWKH-SJLPKXTDSA-N 1 3 329.488 2.731 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000968921898 1306799252 /nfs/dbraw/zinc/79/92/52/1306799252.db2.gz MALDGIRETYXIQI-RHSMWYFYSA-N 1 3 333.451 2.562 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)C[C@H]2C)CC1 ZINC001044791475 1306804020 /nfs/dbraw/zinc/80/40/20/1306804020.db2.gz GXMSOXQWIQVHBF-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)(C)OC(=O)NCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001209369178 1314148382 /nfs/dbraw/zinc/14/83/82/1314148382.db2.gz OJCXROYDJXHEHS-UHFFFAOYSA-N 1 3 348.491 2.899 20 0 EFADHO CN1CC2(C1)CC[NH+](CCCCCNC(=O)OC(C)(C)C)CC2 ZINC001209374811 1314149274 /nfs/dbraw/zinc/14/92/74/1314149274.db2.gz IIJRCXJYHQZYDX-UHFFFAOYSA-N 1 3 325.497 2.709 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968990152 1306866198 /nfs/dbraw/zinc/86/61/98/1306866198.db2.gz VMLGQZZWTPZLDY-WDYCEAGBSA-N 1 3 347.503 2.533 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000968990055 1306866208 /nfs/dbraw/zinc/86/62/08/1306866208.db2.gz QVYGYLKRARALJM-UXHICEINSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044856658 1306867607 /nfs/dbraw/zinc/86/76/07/1306867607.db2.gz BHQCBMDKFIYEEF-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044857234 1306867625 /nfs/dbraw/zinc/86/76/25/1306867625.db2.gz GQCQLLWCSQLRLE-ICSRJNTNSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044857213 1306867724 /nfs/dbraw/zinc/86/77/24/1306867724.db2.gz GHDSLWCDGCBXNH-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000968990207 1306867888 /nfs/dbraw/zinc/86/78/88/1306867888.db2.gz XTHARYCPQZDKDB-QGTPRVQTSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1C ZINC001044858099 1306868512 /nfs/dbraw/zinc/86/85/12/1306868512.db2.gz QCLRGHBYSVXRTE-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044859094 1306868996 /nfs/dbraw/zinc/86/89/96/1306868996.db2.gz ZWFFNUYOZOXHAY-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044859095 1306869593 /nfs/dbraw/zinc/86/95/93/1306869593.db2.gz ZWFFNUYOZOXHAY-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC000968994658 1306871960 /nfs/dbraw/zinc/87/19/60/1306871960.db2.gz XLKMUFZVGBWADC-WDSKNZHCSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C\Cl ZINC000968994658 1306871962 /nfs/dbraw/zinc/87/19/62/1306871962.db2.gz XLKMUFZVGBWADC-WDSKNZHCSA-N 1 3 327.900 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000968996299 1306872008 /nfs/dbraw/zinc/87/20/08/1306872008.db2.gz FHMDVSWSQAULMX-SJORKVTESA-N 1 3 337.895 2.617 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC000969074829 1306948420 /nfs/dbraw/zinc/94/84/20/1306948420.db2.gz VNIUXOVNDQFPPJ-IAOVAPTHSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC000969074889 1306949744 /nfs/dbraw/zinc/94/97/44/1306949744.db2.gz YLNLZBIVJGXNBH-FSPWUOQZSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC000969077497 1306950821 /nfs/dbraw/zinc/95/08/21/1306950821.db2.gz UHGDEQLLJJRIGK-IAOVAPTHSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC000969077498 1306951327 /nfs/dbraw/zinc/95/13/27/1306951327.db2.gz UHGDEQLLJJRIGK-KBRIMQKVSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC000969076872 1306951399 /nfs/dbraw/zinc/95/13/99/1306951399.db2.gz DPWHVJAQCKREON-WOJBJXKFSA-N 1 3 339.483 2.871 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000969100139 1306973645 /nfs/dbraw/zinc/97/36/45/1306973645.db2.gz YIKVYUHCESHOOU-SJLPKXTDSA-N 1 3 341.455 2.608 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCCCc1ccccc1Br ZINC001253208468 1315580670 /nfs/dbraw/zinc/58/06/70/1315580670.db2.gz RFLCVSSSMDSWRO-HNNXBMFYSA-N 1 3 343.309 2.674 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001045067483 1307029971 /nfs/dbraw/zinc/02/99/71/1307029971.db2.gz MWNAQHXTUNBELF-RBUKOAKNSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001045067462 1307030528 /nfs/dbraw/zinc/03/05/28/1307030528.db2.gz MIELJOYQPFSFRQ-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001045067243 1307030612 /nfs/dbraw/zinc/03/06/12/1307030612.db2.gz NVSXEDFESQNDQD-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1C ZINC001045067005 1307030620 /nfs/dbraw/zinc/03/06/20/1307030620.db2.gz CEJUFJSYCVTZLG-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001045067404 1307030726 /nfs/dbraw/zinc/03/07/26/1307030726.db2.gz QDBUQWLNYZYWNL-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1F ZINC001045067976 1307031172 /nfs/dbraw/zinc/03/11/72/1307031172.db2.gz XUBXFEDBNAWLQS-HKUYNNGSSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001045068024 1307031556 /nfs/dbraw/zinc/03/15/56/1307031556.db2.gz ZOFRRNQMIRVSBC-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)CC1 ZINC001045070710 1307033709 /nfs/dbraw/zinc/03/37/09/1307033709.db2.gz SEGAOOHZKCTDMX-TVPLGVNVSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001045070843 1307033934 /nfs/dbraw/zinc/03/39/34/1307033934.db2.gz YZNJVRLPLFLFIU-ICSRJNTNSA-N 1 3 341.499 2.739 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001045089326 1307045614 /nfs/dbraw/zinc/04/56/14/1307045614.db2.gz FHLBBUSWHGGVOI-FUHWJXTLSA-N 1 3 343.471 2.854 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001045089191 1307045625 /nfs/dbraw/zinc/04/56/25/1307045625.db2.gz COFOFTJVQHWHCW-VQTJNVASSA-N 1 3 343.515 2.596 20 0 EFADHO CN1CCC[C@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC001254504450 1315710608 /nfs/dbraw/zinc/71/06/08/1315710608.db2.gz BFMLDPAXHNFHEM-GJZGRUSLSA-N 1 3 327.266 2.556 20 0 EFADHO O=C1Nc2ccccc2C12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209451016 1314165051 /nfs/dbraw/zinc/16/50/51/1314165051.db2.gz YQDKWOILUOEVQY-UHFFFAOYSA-N 1 3 327.472 2.848 20 0 EFADHO Cn1cc([C@@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001209452006 1314165553 /nfs/dbraw/zinc/16/55/53/1314165553.db2.gz ZIJIGFCJCCSKKQ-SFHVURJKSA-N 1 3 346.519 2.635 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001045187258 1307123816 /nfs/dbraw/zinc/12/38/16/1307123816.db2.gz GRUJZOKYNSDNCA-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001045188022 1307123875 /nfs/dbraw/zinc/12/38/75/1307123875.db2.gz YWCBXKVSDOBHHO-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001045199630 1307134182 /nfs/dbraw/zinc/13/41/82/1307134182.db2.gz GEERQULJPKSDJU-UZLBHIALSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001045199627 1307134205 /nfs/dbraw/zinc/13/42/05/1307134205.db2.gz GDTIJVNCNZHXJJ-PXNSSMCTSA-N 1 3 343.515 2.726 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC001045200208 1307134700 /nfs/dbraw/zinc/13/47/00/1307134700.db2.gz QCCILFZNBYQIRN-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001045200087 1307134928 /nfs/dbraw/zinc/13/49/28/1307134928.db2.gz BHEKHIGMTKBARH-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045200116 1307134977 /nfs/dbraw/zinc/13/49/77/1307134977.db2.gz CBXJMYQRMZWWSZ-WBVHZDCISA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001045200116 1307134979 /nfs/dbraw/zinc/13/49/79/1307134979.db2.gz CBXJMYQRMZWWSZ-WBVHZDCISA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001045201240 1307135833 /nfs/dbraw/zinc/13/58/33/1307135833.db2.gz YZPWLKZABARSOD-APWZRJJASA-N 1 3 347.478 2.699 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001045201871 1307136000 /nfs/dbraw/zinc/13/60/00/1307136000.db2.gz KCGBGICCUKYOGO-KRWDZBQOSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001045201234 1307136189 /nfs/dbraw/zinc/13/61/89/1307136189.db2.gz YSEOZCCNYBFGSP-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001045205487 1307136891 /nfs/dbraw/zinc/13/68/91/1307136891.db2.gz MEJBGWBEICVCNI-HKUYNNGSSA-N 1 3 342.487 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001045205087 1307137135 /nfs/dbraw/zinc/13/71/35/1307137135.db2.gz COFOFTJVQHWHCW-PMACEKPBSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)c1 ZINC001045251448 1307175941 /nfs/dbraw/zinc/17/59/41/1307175941.db2.gz TXVMZHJXTULDCF-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001045311384 1307229814 /nfs/dbraw/zinc/22/98/14/1307229814.db2.gz KIQBGIJZYWCNGI-IBGZPJMESA-N 1 3 341.499 2.740 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC001045310780 1307230441 /nfs/dbraw/zinc/23/04/41/1307230441.db2.gz VHWFXGPZDWNCIO-IBGZPJMESA-N 1 3 343.515 2.788 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001045321266 1307239308 /nfs/dbraw/zinc/23/93/08/1307239308.db2.gz JJEZHDCUVUSWKS-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CC(C)(C)CN(C)C)C2 ZINC001276654579 1314194090 /nfs/dbraw/zinc/19/40/90/1314194090.db2.gz RBNSNZZFHZHKKM-QYZOEREBSA-N 1 3 345.531 2.629 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)(C)CN(C)C)C2 ZINC001276654579 1314194091 /nfs/dbraw/zinc/19/40/91/1314194091.db2.gz RBNSNZZFHZHKKM-QYZOEREBSA-N 1 3 345.531 2.629 20 0 EFADHO C[C@H]1NCCn2c(-c3nc(-c4ccc(C[NH+](C)C)cc4)no3)ccc21 ZINC000900003754 1307590401 /nfs/dbraw/zinc/59/04/01/1307590401.db2.gz DCRDAJJUVGRZGT-CYBMUJFWSA-N 1 3 337.427 2.931 20 0 EFADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097704729 1314202782 /nfs/dbraw/zinc/20/27/82/1314202782.db2.gz BNMGRGGDAZXNGW-AKHDSKFASA-N 1 3 333.520 2.915 20 0 EFADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097704729 1314202786 /nfs/dbraw/zinc/20/27/86/1314202786.db2.gz BNMGRGGDAZXNGW-AKHDSKFASA-N 1 3 333.520 2.915 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045807393 1307665449 /nfs/dbraw/zinc/66/54/49/1307665449.db2.gz WSZPQWKYEKCKRL-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045807393 1307665453 /nfs/dbraw/zinc/66/54/53/1307665453.db2.gz WSZPQWKYEKCKRL-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097705898 1314203364 /nfs/dbraw/zinc/20/33/64/1314203364.db2.gz XKJYZYVDTBKKLG-AKHDSKFASA-N 1 3 333.520 2.913 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001097705898 1314203368 /nfs/dbraw/zinc/20/33/68/1314203368.db2.gz XKJYZYVDTBKKLG-AKHDSKFASA-N 1 3 333.520 2.913 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001209630607 1314204278 /nfs/dbraw/zinc/20/42/78/1314204278.db2.gz AHWGBTQGTQUBHJ-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209642569 1314208031 /nfs/dbraw/zinc/20/80/31/1314208031.db2.gz PDNHOZMOAMGHNN-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001209644195 1314208204 /nfs/dbraw/zinc/20/82/04/1314208204.db2.gz ZQAYGYRITJYBGR-QKHICEAHSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644008 1314208220 /nfs/dbraw/zinc/20/82/20/1314208220.db2.gz YHRZVFJKXIJZEH-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053090 1307787666 /nfs/dbraw/zinc/78/76/66/1307787666.db2.gz RFJBDNWHHQOUIZ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053090 1307787669 /nfs/dbraw/zinc/78/76/69/1307787669.db2.gz RFJBDNWHHQOUIZ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](F)CCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065071 1307795214 /nfs/dbraw/zinc/79/52/14/1307795214.db2.gz YJZYZUXCTWDETJ-WMZOPIPTSA-N 1 3 349.494 2.733 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001209685395 1314216855 /nfs/dbraw/zinc/21/68/55/1314216855.db2.gz PWBDFYFFSDJCKE-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045941311 1307950345 /nfs/dbraw/zinc/95/03/45/1307950345.db2.gz JJTLDJLGSDIPSR-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001045941311 1307950352 /nfs/dbraw/zinc/95/03/52/1307950352.db2.gz JJTLDJLGSDIPSR-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045941996 1307952753 /nfs/dbraw/zinc/95/27/53/1307952753.db2.gz PTZVFEBFDJFXJA-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045941996 1307952758 /nfs/dbraw/zinc/95/27/58/1307952758.db2.gz PTZVFEBFDJFXJA-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001045942803 1307955407 /nfs/dbraw/zinc/95/54/07/1307955407.db2.gz ACDJMYCCSMOHRU-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001045942803 1307955412 /nfs/dbraw/zinc/95/54/12/1307955412.db2.gz ACDJMYCCSMOHRU-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001045943462 1307957802 /nfs/dbraw/zinc/95/78/02/1307957802.db2.gz ISXRJDOIYNEBIW-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001045943462 1307957807 /nfs/dbraw/zinc/95/78/07/1307957807.db2.gz ISXRJDOIYNEBIW-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944148 1307960390 /nfs/dbraw/zinc/96/03/90/1307960390.db2.gz YOFXUYCPDOAPBS-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944148 1307960395 /nfs/dbraw/zinc/96/03/95/1307960395.db2.gz YOFXUYCPDOAPBS-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045947084 1307969469 /nfs/dbraw/zinc/96/94/69/1307969469.db2.gz IWGADULJZBOUNE-QUCCMNQESA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045947084 1307969474 /nfs/dbraw/zinc/96/94/74/1307969474.db2.gz IWGADULJZBOUNE-QUCCMNQESA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958698 1308000447 /nfs/dbraw/zinc/00/04/47/1308000447.db2.gz WEGXEQIENBJJAS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958698 1308000451 /nfs/dbraw/zinc/00/04/51/1308000451.db2.gz WEGXEQIENBJJAS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001045963631 1308013944 /nfs/dbraw/zinc/01/39/44/1308013944.db2.gz BQLXHNSSKHTIDR-IEBWSBKVSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001045963631 1308013948 /nfs/dbraw/zinc/01/39/48/1308013948.db2.gz BQLXHNSSKHTIDR-IEBWSBKVSA-N 1 3 341.515 2.637 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001045965107 1308018488 /nfs/dbraw/zinc/01/84/88/1308018488.db2.gz DDMITSCMDOFHPI-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001045965107 1308018493 /nfs/dbraw/zinc/01/84/93/1308018493.db2.gz DDMITSCMDOFHPI-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045966224 1308021872 /nfs/dbraw/zinc/02/18/72/1308021872.db2.gz RCKCAFGIGYVKJC-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045966224 1308021874 /nfs/dbraw/zinc/02/18/74/1308021874.db2.gz RCKCAFGIGYVKJC-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(C2)CCCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001045969279 1308030940 /nfs/dbraw/zinc/03/09/40/1308030940.db2.gz NHECLUCRMPKYGC-UHYCVJNDSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(C2)CCCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001045969279 1308030944 /nfs/dbraw/zinc/03/09/44/1308030944.db2.gz NHECLUCRMPKYGC-UHYCVJNDSA-N 1 3 344.503 2.703 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008407371 1308051270 /nfs/dbraw/zinc/05/12/70/1308051270.db2.gz UBSNBJKGFOOWJM-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO COc1cccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)c1 ZINC001413114009 1308063667 /nfs/dbraw/zinc/06/36/67/1308063667.db2.gz KQLWHUHRUXXXTA-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO CN(Cc1ccc(-c2cnn(C3CC[NH+](C)CC3)c2)nc1)C1CC1 ZINC001242727392 1314228419 /nfs/dbraw/zinc/22/84/19/1314228419.db2.gz ACKMXYWZOWDRTB-UHFFFAOYSA-N 1 3 325.460 2.806 20 0 EFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779785 1314229186 /nfs/dbraw/zinc/22/91/86/1314229186.db2.gz YCZMERMTCJHNDC-OBZTUIKSSA-N 1 3 341.499 2.811 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001413135255 1308124082 /nfs/dbraw/zinc/12/40/82/1308124082.db2.gz YFXGLALRPQLWFB-TUFZTROESA-N 1 3 336.426 2.945 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(Cl)cc1 ZINC001019241660 1314235076 /nfs/dbraw/zinc/23/50/76/1314235076.db2.gz RTLCDALPPYMVMQ-XOKHGSTOSA-N 1 3 335.879 2.686 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001008760577 1308271077 /nfs/dbraw/zinc/27/10/77/1308271077.db2.gz KCMZXEMKCGAKGS-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001008763545 1308272620 /nfs/dbraw/zinc/27/26/20/1308272620.db2.gz AICGKFMEBDZJBO-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009203267 1308429116 /nfs/dbraw/zinc/42/91/16/1308429116.db2.gz PNLCBIZIGQVHIQ-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203267 1308429119 /nfs/dbraw/zinc/42/91/19/1308429119.db2.gz PNLCBIZIGQVHIQ-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001009223144 1308438124 /nfs/dbraw/zinc/43/81/24/1308438124.db2.gz GDUJZHQDSIQBQH-PKOBYXMFSA-N 1 3 341.499 2.732 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225675 1308438514 /nfs/dbraw/zinc/43/85/14/1308438514.db2.gz OIBUYWGXGRPSLG-ZWKOTPCHSA-N 1 3 341.499 2.732 20 0 EFADHO CCN1CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC001413193752 1308498903 /nfs/dbraw/zinc/49/89/03/1308498903.db2.gz YCSSJHQOMDYPQC-INIZCTEOSA-N 1 3 339.842 2.658 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001046317167 1308533122 /nfs/dbraw/zinc/53/31/22/1308533122.db2.gz SOEPMUFREHEDNE-UYAOXDASSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046317167 1308533125 /nfs/dbraw/zinc/53/31/25/1308533125.db2.gz SOEPMUFREHEDNE-UYAOXDASSA-N 1 3 333.520 2.940 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516149 1308555448 /nfs/dbraw/zinc/55/54/48/1308555448.db2.gz MVXVTFHVOSJOJM-RBUKOAKNSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516149 1308555449 /nfs/dbraw/zinc/55/54/49/1308555449.db2.gz MVXVTFHVOSJOJM-RBUKOAKNSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001019289184 1314255608 /nfs/dbraw/zinc/25/56/08/1314255608.db2.gz YIZDOBSBLBMUBD-YVSFHVDLSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001019289184 1314255612 /nfs/dbraw/zinc/25/56/12/1314255612.db2.gz YIZDOBSBLBMUBD-YVSFHVDLSA-N 1 3 347.478 2.808 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615009 1308586819 /nfs/dbraw/zinc/58/68/19/1308586819.db2.gz ZMWDJMXSXGLZOM-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615009 1308586822 /nfs/dbraw/zinc/58/68/22/1308586822.db2.gz ZMWDJMXSXGLZOM-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)c(C3CC3)c1)C2 ZINC001278357773 1314257112 /nfs/dbraw/zinc/25/71/12/1314257112.db2.gz MVLNYFHBTBWKCC-AEFFLSMTSA-N 1 3 331.479 2.771 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC001413204202 1308610608 /nfs/dbraw/zinc/61/06/08/1308610608.db2.gz CPUNYVRIUBCZNE-JLAWEPINSA-N 1 3 336.520 2.959 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]C[C@@H]2COCO2)CCN(Cc2ccccc2)C1 ZINC001413224588 1308773289 /nfs/dbraw/zinc/77/32/89/1308773289.db2.gz NWSLHJISPLWGAE-QUCCMNQESA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@@H]2COCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001413224588 1308773291 /nfs/dbraw/zinc/77/32/91/1308773291.db2.gz NWSLHJISPLWGAE-QUCCMNQESA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@@H]2COCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001413224588 1308773293 /nfs/dbraw/zinc/77/32/93/1308773293.db2.gz NWSLHJISPLWGAE-QUCCMNQESA-N 1 3 332.488 2.887 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001019337431 1314281001 /nfs/dbraw/zinc/28/10/01/1314281001.db2.gz JBGSGLGRYVIWBB-GBESFXJTSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001019339123 1314282178 /nfs/dbraw/zinc/28/21/78/1314282178.db2.gz PHHPRHGGLNJTAS-AZUAARDMSA-N 1 3 345.531 2.889 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC001019343070 1314283727 /nfs/dbraw/zinc/28/37/27/1314283727.db2.gz WPPVGSHTFGQZSY-DOTOQJQBSA-N 1 3 337.895 2.617 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001210175774 1314292024 /nfs/dbraw/zinc/29/20/24/1314292024.db2.gz SBXPBEDWMSGYIZ-IBGZPJMESA-N 1 3 346.519 2.674 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001210182474 1314292291 /nfs/dbraw/zinc/29/22/91/1314292291.db2.gz HJKYVNMHBCCPQI-SJORKVTESA-N 1 3 329.504 2.827 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001210183330 1314292439 /nfs/dbraw/zinc/29/24/39/1314292439.db2.gz OIXDTXXDQDFAHX-IRXDYDNUSA-N 1 3 329.504 2.827 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN(CC)CC)C2)c1 ZINC001210217115 1314296294 /nfs/dbraw/zinc/29/62/94/1314296294.db2.gz CQYCAIXVRFUUDR-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001210217033 1314296324 /nfs/dbraw/zinc/29/63/24/1314296324.db2.gz CHBUYQMJNZEHQD-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001210219868 1314296928 /nfs/dbraw/zinc/29/69/28/1314296928.db2.gz URVTUAXDFRYBNW-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001210217497 1314297031 /nfs/dbraw/zinc/29/70/31/1314297031.db2.gz JJGLZRFFMUTVIF-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210218160 1314297085 /nfs/dbraw/zinc/29/70/85/1314297085.db2.gz PDCRCBOAJJXJAZ-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210217679 1314297107 /nfs/dbraw/zinc/29/71/07/1314297107.db2.gz LCYSDMHUGZSDJZ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001210229801 1314299286 /nfs/dbraw/zinc/29/92/86/1314299286.db2.gz SQLAGWTZUUWHHN-SFHVURJKSA-N 1 3 335.467 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001019381280 1314303060 /nfs/dbraw/zinc/30/30/60/1314303060.db2.gz DJIANOFECMEPIY-QAPCUYQASA-N 1 3 349.906 2.557 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001019380697 1314302620 /nfs/dbraw/zinc/30/26/20/1314302620.db2.gz JPTDSGJZXQSOQK-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019381574 1314303321 /nfs/dbraw/zinc/30/33/21/1314303321.db2.gz MNDMHLXFTJHUKO-MJGOQNOKSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001019381262 1314303526 /nfs/dbraw/zinc/30/35/26/1314303526.db2.gz CUHGFOKRLQLSIJ-GUYCJALGSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001019381052 1314303651 /nfs/dbraw/zinc/30/36/51/1314303651.db2.gz WVSOWEOETWFYMX-WBVHZDCISA-N 1 3 341.455 2.608 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001019381052 1314303657 /nfs/dbraw/zinc/30/36/57/1314303657.db2.gz WVSOWEOETWFYMX-WBVHZDCISA-N 1 3 341.455 2.608 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019382590 1314304050 /nfs/dbraw/zinc/30/40/50/1314304050.db2.gz CSPRXUMIDXQITO-KSSFIOAISA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001019382425 1314304062 /nfs/dbraw/zinc/30/40/62/1314304062.db2.gz ATHGAORPBAKWLG-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001019383005 1314304891 /nfs/dbraw/zinc/30/48/91/1314304891.db2.gz SDAKAOXTWLFHMI-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001019383006 1314304912 /nfs/dbraw/zinc/30/49/12/1314304912.db2.gz SDAKAOXTWLFHMI-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386723 1314306434 /nfs/dbraw/zinc/30/64/34/1314306434.db2.gz UPBVXGKZLDCDTD-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019386085 1314306650 /nfs/dbraw/zinc/30/66/50/1314306650.db2.gz BGTUPPPDOSJLTA-SFHVURJKSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC001052701376 1314310482 /nfs/dbraw/zinc/31/04/82/1314310482.db2.gz FDURGGSMQLPMJS-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC001052701376 1314310485 /nfs/dbraw/zinc/31/04/85/1314310485.db2.gz FDURGGSMQLPMJS-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001019394904 1314311024 /nfs/dbraw/zinc/31/10/24/1314311024.db2.gz QDIGSVKPEJICGD-UHOSZYNNSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001019395823 1314311333 /nfs/dbraw/zinc/31/13/33/1314311333.db2.gz IMWQCGYRPZOFQU-HKUYNNGSSA-N 1 3 331.504 2.643 20 0 EFADHO CN1CCN(c2cccc(-c3ccc(N4CC[NH2+]CC4)cc3)c2)CC1 ZINC001243671633 1314312361 /nfs/dbraw/zinc/31/23/61/1314312361.db2.gz UOTNDBLRSIVZRN-UHFFFAOYSA-N 1 3 336.483 2.515 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105514 1309476137 /nfs/dbraw/zinc/47/61/37/1309476137.db2.gz NRRITIZUIYXCLV-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105514 1309476142 /nfs/dbraw/zinc/47/61/42/1309476142.db2.gz NRRITIZUIYXCLV-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831284 1309476397 /nfs/dbraw/zinc/47/63/97/1309476397.db2.gz IRIJMBKKURFEMF-TZIWHRDSSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831284 1309476406 /nfs/dbraw/zinc/47/64/06/1309476406.db2.gz IRIJMBKKURFEMF-TZIWHRDSSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834672 1309486538 /nfs/dbraw/zinc/48/65/38/1309486538.db2.gz VDJCRUZHVIFWSG-PZJWPPBQSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834672 1309486544 /nfs/dbraw/zinc/48/65/44/1309486544.db2.gz VDJCRUZHVIFWSG-PZJWPPBQSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001210356159 1314318317 /nfs/dbraw/zinc/31/83/17/1314318317.db2.gz LMEYDFJZERQBIO-OAQYLSRUSA-N 1 3 341.474 2.904 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CCC3CC3)C2)c1 ZINC001046851208 1309521755 /nfs/dbraw/zinc/52/17/55/1309521755.db2.gz DCYPGMMTEKZKIA-HXUWFJFHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)c1 ZINC001046851208 1309521759 /nfs/dbraw/zinc/52/17/59/1309521759.db2.gz DCYPGMMTEKZKIA-HXUWFJFHSA-N 1 3 329.488 2.743 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@](C)(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001046853106 1309527176 /nfs/dbraw/zinc/52/71/76/1309527176.db2.gz SQWKURPSWQEOJB-QYGXFBIXSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@](C)(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001046853106 1309527183 /nfs/dbraw/zinc/52/71/83/1309527183.db2.gz SQWKURPSWQEOJB-QYGXFBIXSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@](C)(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001046853105 1309528097 /nfs/dbraw/zinc/52/80/97/1309528097.db2.gz SQWKURPSWQEOJB-IAYYMHMVSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CC[C@](C)(NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001046853105 1309528098 /nfs/dbraw/zinc/52/80/98/1309528098.db2.gz SQWKURPSWQEOJB-IAYYMHMVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001052713075 1314320006 /nfs/dbraw/zinc/32/00/06/1314320006.db2.gz QJAMOJPNPCFMPT-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001052713075 1314320010 /nfs/dbraw/zinc/32/00/10/1314320010.db2.gz QJAMOJPNPCFMPT-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052713242 1314320539 /nfs/dbraw/zinc/32/05/39/1314320539.db2.gz UIWSLLSRHROSLB-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052713242 1314320542 /nfs/dbraw/zinc/32/05/42/1314320542.db2.gz UIWSLLSRHROSLB-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCc3cccs3)CC2)C1 ZINC001052712730 1314317959 /nfs/dbraw/zinc/31/79/59/1314317959.db2.gz OAXJSZUMXYLRFZ-IRXDYDNUSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCc3cccs3)CC2)C1 ZINC001052712730 1314317962 /nfs/dbraw/zinc/31/79/62/1314317962.db2.gz OAXJSZUMXYLRFZ-IRXDYDNUSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052712603 1314318300 /nfs/dbraw/zinc/31/83/00/1314318300.db2.gz LJHQYNLUXXDJEU-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052712603 1314318302 /nfs/dbraw/zinc/31/83/02/1314318302.db2.gz LJHQYNLUXXDJEU-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426495 1314332220 /nfs/dbraw/zinc/33/22/20/1314332220.db2.gz GSEDAOQPCWDGAK-JXYKKQOOSA-N 1 3 343.515 2.868 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046934505 1309711493 /nfs/dbraw/zinc/71/14/93/1309711493.db2.gz CJALLMLYNCQXGY-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046934505 1309711495 /nfs/dbraw/zinc/71/14/95/1309711495.db2.gz CJALLMLYNCQXGY-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046964481 1309785892 /nfs/dbraw/zinc/78/58/92/1309785892.db2.gz UZPCDSBSJQGFMW-CVEARBPZSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046964481 1309785901 /nfs/dbraw/zinc/78/59/01/1309785901.db2.gz UZPCDSBSJQGFMW-CVEARBPZSA-N 1 3 345.478 2.592 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001019465864 1314352960 /nfs/dbraw/zinc/35/29/60/1314352960.db2.gz LIUZNTYAOVOQLZ-AEFFLSMTSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2)N1CCCC1 ZINC001047123898 1310154444 /nfs/dbraw/zinc/15/44/44/1310154444.db2.gz XFIBBAZBVNJJDV-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2)N1CCCC1 ZINC001047123898 1310154446 /nfs/dbraw/zinc/15/44/46/1310154446.db2.gz XFIBBAZBVNJJDV-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCF)C3)c1 ZINC001047208123 1310310317 /nfs/dbraw/zinc/31/03/17/1310310317.db2.gz XNAODXYHXUGHAP-UHOSZYNNSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCF)C3)c1 ZINC001047208123 1310310327 /nfs/dbraw/zinc/31/03/27/1310310327.db2.gz XNAODXYHXUGHAP-UHOSZYNNSA-N 1 3 347.478 2.691 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047245527 1310402659 /nfs/dbraw/zinc/40/26/59/1310402659.db2.gz ZOJVYLZKEWHAOE-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001047245553 1310403231 /nfs/dbraw/zinc/40/32/31/1310403231.db2.gz YTUBKXUVKWXPJF-OALUTQOASA-N 1 3 337.552 2.932 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCc4ccccc43)C2)CC1 ZINC001019560583 1314384161 /nfs/dbraw/zinc/38/41/61/1314384161.db2.gz NUODSKJTKMVTNM-ICSRJNTNSA-N 1 3 341.499 2.596 20 0 EFADHO CCCC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047260028 1310439659 /nfs/dbraw/zinc/43/96/59/1310439659.db2.gz WQOZXEVOUWNGNO-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210783379 1314386941 /nfs/dbraw/zinc/38/69/41/1314386941.db2.gz SKCGIMYYJAGLBD-BQHJZSHBSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210783399 1314387258 /nfs/dbraw/zinc/38/72/58/1314387258.db2.gz SMIBNSWEUAQIEL-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001210796443 1314389630 /nfs/dbraw/zinc/38/96/30/1314389630.db2.gz GTBNMXISOQNRED-CYBMUJFWSA-N 1 3 336.307 2.618 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001210796443 1314389634 /nfs/dbraw/zinc/38/96/34/1314389634.db2.gz GTBNMXISOQNRED-CYBMUJFWSA-N 1 3 336.307 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001210810790 1314391985 /nfs/dbraw/zinc/39/19/85/1314391985.db2.gz DGCZHTVBMOLMEH-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210810851 1314392204 /nfs/dbraw/zinc/39/22/04/1314392204.db2.gz FLUFZVFSWCSERP-MSOLQXFVSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001210810874 1314392264 /nfs/dbraw/zinc/39/22/64/1314392264.db2.gz GGPJPPRCABNVDX-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001210810680 1314392328 /nfs/dbraw/zinc/39/23/28/1314392328.db2.gz CLQRXHNHJQULLH-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001019653006 1314409851 /nfs/dbraw/zinc/40/98/51/1314409851.db2.gz CLKKNGAWKXYKKC-WBVHZDCISA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001019653006 1314409854 /nfs/dbraw/zinc/40/98/54/1314409854.db2.gz CLKKNGAWKXYKKC-WBVHZDCISA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(F)c1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276691713 1314411581 /nfs/dbraw/zinc/41/15/81/1314411581.db2.gz CKQKROTWTNAENF-HXUWFJFHSA-N 1 3 333.495 2.984 20 0 EFADHO Cc1cccc(F)c1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276691713 1314411584 /nfs/dbraw/zinc/41/15/84/1314411584.db2.gz CKQKROTWTNAENF-HXUWFJFHSA-N 1 3 333.495 2.984 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221968239 1311061581 /nfs/dbraw/zinc/06/15/81/1311061581.db2.gz JLNOIWQDWWUFEW-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221968239 1311061582 /nfs/dbraw/zinc/06/15/82/1311061582.db2.gz JLNOIWQDWWUFEW-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1)N1CCCC1 ZINC001099165022 1311072495 /nfs/dbraw/zinc/07/24/95/1311072495.db2.gz JDTPOVYTDNDHNX-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1)N1CCCC1 ZINC001099165022 1311072497 /nfs/dbraw/zinc/07/24/97/1311072497.db2.gz JDTPOVYTDNDHNX-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141635 1311090412 /nfs/dbraw/zinc/09/04/12/1311090412.db2.gz PDSZIHUIPHKRTQ-HXUWFJFHSA-N 1 3 330.472 2.871 20 0 EFADHO CCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490914 1311098035 /nfs/dbraw/zinc/09/80/35/1311098035.db2.gz WYSSQAWNKJIZOY-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490914 1311098036 /nfs/dbraw/zinc/09/80/36/1311098036.db2.gz WYSSQAWNKJIZOY-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490916 1311098138 /nfs/dbraw/zinc/09/81/38/1311098138.db2.gz WYSSQAWNKJIZOY-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490916 1311098142 /nfs/dbraw/zinc/09/81/42/1311098142.db2.gz WYSSQAWNKJIZOY-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO Nc1ncc(CN2CCC3(CCC[N@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001276850689 1311199816 /nfs/dbraw/zinc/19/98/16/1311199816.db2.gz SJFOEQVOXAZZTE-UHFFFAOYSA-N 1 3 345.516 2.932 20 0 EFADHO Nc1ncc(CN2CCC3(CCC[N@@H+](Cc4ccc[nH]4)C3)CC2)s1 ZINC001276850689 1311199819 /nfs/dbraw/zinc/19/98/19/1311199819.db2.gz SJFOEQVOXAZZTE-UHFFFAOYSA-N 1 3 345.516 2.932 20 0 EFADHO Nc1cccc(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001276859784 1311208376 /nfs/dbraw/zinc/20/83/76/1311208376.db2.gz AVXGWMCBYLTBAD-UHFFFAOYSA-N 1 3 339.487 2.870 20 0 EFADHO CC(C)(C(=O)NCC1CCN(C/C=C\Cl)CC1)[NH+]1CCCCC1 ZINC001223203443 1311229995 /nfs/dbraw/zinc/22/99/95/1311229995.db2.gz YEKOTKGBWZFUSB-TWGQIWQCSA-N 1 3 341.927 2.832 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353597 1311235958 /nfs/dbraw/zinc/23/59/58/1311235958.db2.gz AGJIBFIABPVDGH-GPZIAXRUSA-N 1 3 335.536 2.709 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353597 1311235962 /nfs/dbraw/zinc/23/59/62/1311235962.db2.gz AGJIBFIABPVDGH-GPZIAXRUSA-N 1 3 335.536 2.709 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364213 1311236788 /nfs/dbraw/zinc/23/67/88/1311236788.db2.gz OASZJFSDLDUTMR-INVOHUSESA-N 1 3 333.520 2.607 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364213 1311236793 /nfs/dbraw/zinc/23/67/93/1311236793.db2.gz OASZJFSDLDUTMR-INVOHUSESA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865891 1311238879 /nfs/dbraw/zinc/23/88/79/1311238879.db2.gz VUMDNZZTXFJCFX-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867956 1311240311 /nfs/dbraw/zinc/24/03/11/1311240311.db2.gz LMHKIRHKYNYQSK-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868311 1311240434 /nfs/dbraw/zinc/24/04/34/1311240434.db2.gz NKXQWOLATCPNHI-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1O ZINC001276879409 1311240917 /nfs/dbraw/zinc/24/09/17/1311240917.db2.gz BFTQYBDPCIZORI-FQEVSTJZSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cc1O ZINC001276879409 1311240919 /nfs/dbraw/zinc/24/09/19/1311240919.db2.gz BFTQYBDPCIZORI-FQEVSTJZSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1O ZINC001276879410 1311241024 /nfs/dbraw/zinc/24/10/24/1311241024.db2.gz BFTQYBDPCIZORI-HXUWFJFHSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cc1O ZINC001276879410 1311241026 /nfs/dbraw/zinc/24/10/26/1311241026.db2.gz BFTQYBDPCIZORI-HXUWFJFHSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001047869195 1311241809 /nfs/dbraw/zinc/24/18/09/1311241809.db2.gz PVQMCQWSIZUEPE-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001047869996 1311242277 /nfs/dbraw/zinc/24/22/77/1311242277.db2.gz TWOYCELTEDHGMQ-DOTOQJQBSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047870931 1311243064 /nfs/dbraw/zinc/24/30/64/1311243064.db2.gz WRMUPDUXTXAXDY-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223438875 1311261235 /nfs/dbraw/zinc/26/12/35/1311261235.db2.gz GIFDGVQTLWLHIM-HOHRJFBBSA-N 1 3 335.536 2.852 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223438875 1311261236 /nfs/dbraw/zinc/26/12/36/1311261236.db2.gz GIFDGVQTLWLHIM-HOHRJFBBSA-N 1 3 335.536 2.852 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1)C1CC1 ZINC001223465791 1311264247 /nfs/dbraw/zinc/26/42/47/1311264247.db2.gz LCMHMKHJYRTBAR-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC001223471551 1311264492 /nfs/dbraw/zinc/26/44/92/1311264492.db2.gz ALHFZHVSEYYBFA-QRVBRYPASA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CCC2CCCC2)CC1)C1CC1 ZINC001223472897 1311265086 /nfs/dbraw/zinc/26/50/86/1311265086.db2.gz XNVJRGJTVZPBQU-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H](C3CC3)N(C)C)CC2)cs1 ZINC001223471584 1311265208 /nfs/dbraw/zinc/26/52/08/1311265208.db2.gz BAYLJRIQKBBBFX-GOSISDBHSA-N 1 3 349.544 2.725 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1)C1CCC1 ZINC001223487964 1311267439 /nfs/dbraw/zinc/26/74/39/1311267439.db2.gz WDKXILDMXSZZAY-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1)N(CC)CC ZINC001223489447 1311267926 /nfs/dbraw/zinc/26/79/26/1311267926.db2.gz PNCWQHRISDYFJF-QRVBRYPASA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1)N(CC)CC ZINC001223489447 1311267930 /nfs/dbraw/zinc/26/79/30/1311267930.db2.gz PNCWQHRISDYFJF-QRVBRYPASA-N 1 3 335.536 2.996 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223506553 1311269885 /nfs/dbraw/zinc/26/98/85/1311269885.db2.gz FQQOMSDXLLGSRF-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001223506553 1311269887 /nfs/dbraw/zinc/26/98/87/1311269887.db2.gz FQQOMSDXLLGSRF-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976307 1311271325 /nfs/dbraw/zinc/27/13/25/1311271325.db2.gz WNBKMECJLFPANU-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)N2CCCCC2)[C@H](C)C1 ZINC001101976307 1311271328 /nfs/dbraw/zinc/27/13/28/1311271328.db2.gz WNBKMECJLFPANU-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001223533129 1311272218 /nfs/dbraw/zinc/27/22/18/1311272218.db2.gz AGOMLLNOWMYWCD-IBGZPJMESA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)CCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533422 1311272987 /nfs/dbraw/zinc/27/29/87/1311272987.db2.gz JCMLGBYZJGDKSN-SFHVURJKSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223533551 1311273015 /nfs/dbraw/zinc/27/30/15/1311273015.db2.gz LFRZFNVIURGROV-SFHVURJKSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102071105 1311277358 /nfs/dbraw/zinc/27/73/58/1311277358.db2.gz DIWAVZUJRFUQGF-ZACQAIPSSA-N 1 3 325.541 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(C)C ZINC001102071105 1311277359 /nfs/dbraw/zinc/27/73/59/1311277359.db2.gz DIWAVZUJRFUQGF-ZACQAIPSSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001102378055 1311306018 /nfs/dbraw/zinc/30/60/18/1311306018.db2.gz LWLYZQBBKKMVJW-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001102378055 1311306020 /nfs/dbraw/zinc/30/60/20/1311306020.db2.gz LWLYZQBBKKMVJW-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001102525313 1311316190 /nfs/dbraw/zinc/31/61/90/1311316190.db2.gz WIEQSFSRFBEMLG-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001102525313 1311316193 /nfs/dbraw/zinc/31/61/93/1311316193.db2.gz WIEQSFSRFBEMLG-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001223947181 1311324854 /nfs/dbraw/zinc/32/48/54/1311324854.db2.gz XTRNOVRMABXQQY-CABCVRRESA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223945272 1311324936 /nfs/dbraw/zinc/32/49/36/1311324936.db2.gz PHFXTUKTGWMVPY-QGZVFWFLSA-N 1 3 341.515 2.827 20 0 EFADHO CC1CC(C[NH+]2CCC(CNC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001224023993 1311333451 /nfs/dbraw/zinc/33/34/51/1311333451.db2.gz HBHFTPDLFKRAJV-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987724 1311339433 /nfs/dbraw/zinc/33/94/33/1311339433.db2.gz OJLIBRWQNIYIGI-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)N2CCCCC2)C1 ZINC001102987724 1311339435 /nfs/dbraw/zinc/33/94/35/1311339435.db2.gz OJLIBRWQNIYIGI-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975159 1311343214 /nfs/dbraw/zinc/34/32/14/1311343214.db2.gz IIGBTXCBIITMPI-DOTOQJQBSA-N 1 3 349.544 2.807 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001047986182 1311351963 /nfs/dbraw/zinc/35/19/63/1311351963.db2.gz CFJMKFQLQZNYEV-YJBOKZPZSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001047988797 1311354330 /nfs/dbraw/zinc/35/43/30/1311354330.db2.gz ODIUTGJQQBIVEA-FUHWJXTLSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001047988799 1311354737 /nfs/dbraw/zinc/35/47/37/1311354737.db2.gz ODIUTGJQQBIVEA-WMZOPIPTSA-N 1 3 340.471 2.596 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047991181 1311355833 /nfs/dbraw/zinc/35/58/33/1311355833.db2.gz ZNTHKQJEOFWGII-CRAIPNDOSA-N 1 3 340.471 2.541 20 0 EFADHO CC[C@H](C(=O)NCC1CCN(Cc2cccnc2)CC1)[NH+](CC)CC ZINC001224476899 1311396265 /nfs/dbraw/zinc/39/62/65/1311396265.db2.gz LXKKFZSOGLDFTR-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CCc2cccs2)CC1 ZINC001224534984 1311403977 /nfs/dbraw/zinc/40/39/77/1311403977.db2.gz BOKCMSPBSQTKLB-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001224536251 1311404800 /nfs/dbraw/zinc/40/48/00/1311404800.db2.gz KNLLEJAWXZUHEZ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001224536253 1311404894 /nfs/dbraw/zinc/40/48/94/1311404894.db2.gz KNLLEJAWXZUHEZ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001224536703 1311405084 /nfs/dbraw/zinc/40/50/84/1311405084.db2.gz NWZQOPKTISFRFH-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001224559852 1311407122 /nfs/dbraw/zinc/40/71/22/1311407122.db2.gz PQRYIJCODZXJOO-QGZVFWFLSA-N 1 3 347.547 2.737 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001224559855 1311407520 /nfs/dbraw/zinc/40/75/20/1311407520.db2.gz PQRZVBPLDXQOPI-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)ns1 ZINC001276984533 1311413304 /nfs/dbraw/zinc/41/33/04/1311413304.db2.gz AMNJYYFPYWCFTF-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO Cc1cc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)ns1 ZINC001276984533 1311413307 /nfs/dbraw/zinc/41/33/07/1311413307.db2.gz AMNJYYFPYWCFTF-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1 ZINC001158922904 1311417962 /nfs/dbraw/zinc/41/79/62/1311417962.db2.gz MLMBXFTXSLJTIL-MRXNPFEDSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001158922904 1311417965 /nfs/dbraw/zinc/41/79/65/1311417965.db2.gz MLMBXFTXSLJTIL-MRXNPFEDSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001158922920 1311418168 /nfs/dbraw/zinc/41/81/68/1311418168.db2.gz MXQPFSOSCNCCCI-LJQANCHMSA-N 1 3 349.494 2.979 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001158922920 1311418172 /nfs/dbraw/zinc/41/81/72/1311418172.db2.gz MXQPFSOSCNCCCI-LJQANCHMSA-N 1 3 349.494 2.979 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058710 1311418338 /nfs/dbraw/zinc/41/83/38/1311418338.db2.gz IPOPAXDRUALDHZ-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]([NH2+]CC1CCCCCC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059597 1311418983 /nfs/dbraw/zinc/41/89/83/1311418983.db2.gz UNAMJABVKKOTJL-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001048067913 1311427166 /nfs/dbraw/zinc/42/71/66/1311427166.db2.gz UJKMTDGUHYQILG-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048068588 1311427384 /nfs/dbraw/zinc/42/73/84/1311427384.db2.gz WWDGHAHYHFRDFK-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001224894566 1311447726 /nfs/dbraw/zinc/44/77/26/1311447726.db2.gz MNYAKOVEWFIZFW-QGZVFWFLSA-N 1 3 331.504 2.918 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001224910667 1311449725 /nfs/dbraw/zinc/44/97/25/1311449725.db2.gz CYQUKHWGCDFMMN-CEXWTWQISA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001159155138 1311462408 /nfs/dbraw/zinc/46/24/08/1311462408.db2.gz JXYUYYGTKUXGQG-RHSMWYFYSA-N 1 3 341.446 2.663 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001225228814 1311492295 /nfs/dbraw/zinc/49/22/95/1311492295.db2.gz ZQDJZAFWUGBLTI-JXMROGBWSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001225228148 1311492315 /nfs/dbraw/zinc/49/23/15/1311492315.db2.gz DXGHSARDOYABMK-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001225228517 1311492580 /nfs/dbraw/zinc/49/25/80/1311492580.db2.gz NXHUDDIKXDEHGP-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001225252608 1311495570 /nfs/dbraw/zinc/49/55/70/1311495570.db2.gz RTKXTCDLZSCIAW-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001225284839 1311501089 /nfs/dbraw/zinc/50/10/89/1311501089.db2.gz JCILETPTESYVCP-UHFFFAOYSA-N 1 3 332.492 2.525 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001014423523 1311508816 /nfs/dbraw/zinc/50/88/16/1311508816.db2.gz JUFBONVZANZTRH-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001014423523 1311508823 /nfs/dbraw/zinc/50/88/23/1311508823.db2.gz JUFBONVZANZTRH-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1 ZINC001159460271 1311520863 /nfs/dbraw/zinc/52/08/63/1311520863.db2.gz QKSCOWQQLRBFAN-UHFFFAOYSA-N 1 3 335.455 2.573 20 0 EFADHO Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001159460769 1311520896 /nfs/dbraw/zinc/52/08/96/1311520896.db2.gz ZZUKCBXFXXSJCK-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@H]2CNCCO2)nc1 ZINC001159500912 1311527909 /nfs/dbraw/zinc/52/79/09/1311527909.db2.gz FYFTYYDEDAZJQM-CGTJXYLNSA-N 1 3 332.492 2.807 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@H]2CNCCO2)nc1 ZINC001159500912 1311527911 /nfs/dbraw/zinc/52/79/11/1311527911.db2.gz FYFTYYDEDAZJQM-CGTJXYLNSA-N 1 3 332.492 2.807 20 0 EFADHO C[C@@H](Nc1[nH+]ccc2c1ccn2Cc1ccccc1)[C@H]1CNCCO1 ZINC001159500285 1311528053 /nfs/dbraw/zinc/52/80/53/1311528053.db2.gz RJNUWFIAVNDHOJ-DNVCBOLYSA-N 1 3 336.439 2.873 20 0 EFADHO CNc1ccccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000902206929 1311535066 /nfs/dbraw/zinc/53/50/66/1311535066.db2.gz XNTSZCPZLPLLHK-UHFFFAOYSA-N 1 3 339.483 2.975 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001225582695 1311547847 /nfs/dbraw/zinc/54/78/47/1311547847.db2.gz PYCXDGZMZZMVJN-HXUWFJFHSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cc1C ZINC001225582932 1311548095 /nfs/dbraw/zinc/54/80/95/1311548095.db2.gz VQEFIWORIDBKRT-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014507959 1311549464 /nfs/dbraw/zinc/54/94/64/1311549464.db2.gz MHPKDYMSCRLTEN-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001014507959 1311549467 /nfs/dbraw/zinc/54/94/67/1311549467.db2.gz MHPKDYMSCRLTEN-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001159628147 1311554942 /nfs/dbraw/zinc/55/49/42/1311554942.db2.gz DCGPQXYDRFZZMR-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001159628147 1311554946 /nfs/dbraw/zinc/55/49/46/1311554946.db2.gz DCGPQXYDRFZZMR-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001159787569 1311584661 /nfs/dbraw/zinc/58/46/61/1311584661.db2.gz YFYMIIOEYAKFSI-ZETCQYMHSA-N 1 3 333.597 2.704 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccccc2C2CC2)CCC1 ZINC001159854206 1311597194 /nfs/dbraw/zinc/59/71/94/1311597194.db2.gz MGHMUVAVDIUBNE-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001159854740 1311597356 /nfs/dbraw/zinc/59/73/56/1311597356.db2.gz SFHDCDKQVLKEBD-UHFFFAOYSA-N 1 3 331.504 2.692 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159853644 1311597415 /nfs/dbraw/zinc/59/74/15/1311597415.db2.gz GPWUQCPZUKKXRN-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]CC[C@@H]2CCc3ccccc32)CCC1 ZINC001159854239 1311597479 /nfs/dbraw/zinc/59/74/79/1311597479.db2.gz NPZDWWLXONPWOR-SFHVURJKSA-N 1 3 343.515 2.687 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]CCCCc2ccccc2)CCC1 ZINC001159854237 1311597689 /nfs/dbraw/zinc/59/76/89/1311597689.db2.gz NOCQCQKRRHAOOA-UHFFFAOYSA-N 1 3 331.504 2.590 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cc(F)ccc1F ZINC001159860993 1311598844 /nfs/dbraw/zinc/59/88/44/1311598844.db2.gz IALATOIWOKADIT-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc3ccccc3c2)CCC1 ZINC001159862091 1311598852 /nfs/dbraw/zinc/59/88/52/1311598852.db2.gz UMOJZPHAWCQZBQ-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl)C1CC1 ZINC001159915718 1311607549 /nfs/dbraw/zinc/60/75/49/1311607549.db2.gz MKROSZGNFAEYTN-ZWKOTPCHSA-N 1 3 349.906 2.763 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001159915320 1311607586 /nfs/dbraw/zinc/60/75/86/1311607586.db2.gz JNWDLJCKQPFMRP-CXAGYDPISA-N 1 3 337.895 2.837 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c(C)c1 ZINC001159916795 1311608644 /nfs/dbraw/zinc/60/86/44/1311608644.db2.gz SUFLMXGXQXMMRW-IBGZPJMESA-N 1 3 331.504 2.548 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC001159923007 1311608896 /nfs/dbraw/zinc/60/88/96/1311608896.db2.gz BYVZRIKZWXKLAN-ROUUACIJSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC001159923844 1311610139 /nfs/dbraw/zinc/61/01/39/1311610139.db2.gz JIDOJSUVZURUSE-LKIHTYOGSA-N 1 3 349.906 2.789 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001159926047 1311610797 /nfs/dbraw/zinc/61/07/97/1311610797.db2.gz YXAUWJVLPUREHL-LJQANCHMSA-N 1 3 331.504 2.575 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)C1CC1 ZINC001159932171 1311611675 /nfs/dbraw/zinc/61/16/75/1311611675.db2.gz NYDGKOSBMKZFJA-MRXNPFEDSA-N 1 3 339.430 2.560 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1Cl ZINC001159933087 1311611847 /nfs/dbraw/zinc/61/18/47/1311611847.db2.gz ZDZQWPZUJYATLF-DYVFJYSZSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001226160531 1311622187 /nfs/dbraw/zinc/62/21/87/1311622187.db2.gz ITOXMQOQTAFACY-RBSFLKMASA-N 1 3 349.441 2.829 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226170918 1311623883 /nfs/dbraw/zinc/62/38/83/1311623883.db2.gz SZGMTLWAKXMMOU-IVZDYFLXSA-N 1 3 327.900 2.629 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)C1CCC1 ZINC001159997585 1311626484 /nfs/dbraw/zinc/62/64/84/1311626484.db2.gz SPBVYVLQKGGQEW-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001160003126 1311626723 /nfs/dbraw/zinc/62/67/23/1311626723.db2.gz DMCVHMRYLCZNGV-KRWDZBQOSA-N 1 3 331.504 2.945 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)C1CCC1 ZINC001159997285 1311626794 /nfs/dbraw/zinc/62/67/94/1311626794.db2.gz KAHZXEMHXNZJIB-SFHVURJKSA-N 1 3 349.906 2.908 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001160003641 1311627132 /nfs/dbraw/zinc/62/71/32/1311627132.db2.gz XYDYFZOQKCDUCA-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001048274923 1311628314 /nfs/dbraw/zinc/62/83/14/1311628314.db2.gz AJWMZNUHNHHXHJ-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048279814 1311632788 /nfs/dbraw/zinc/63/27/88/1311632788.db2.gz LUSPQOGDCBYNLI-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048279820 1311632804 /nfs/dbraw/zinc/63/28/04/1311632804.db2.gz LUSPQOGDCBYNLI-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001014627607 1311632827 /nfs/dbraw/zinc/63/28/27/1311632827.db2.gz HPZJCLWXTLYFSS-WOJBJXKFSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001014627607 1311632831 /nfs/dbraw/zinc/63/28/31/1311632831.db2.gz HPZJCLWXTLYFSS-WOJBJXKFSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048279811 1311632958 /nfs/dbraw/zinc/63/29/58/1311632958.db2.gz LUSPQOGDCBYNLI-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001048282187 1311634733 /nfs/dbraw/zinc/63/47/33/1311634733.db2.gz XVRSTBVMGALHMC-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630995 1311634815 /nfs/dbraw/zinc/63/48/15/1311634815.db2.gz NTKVHKYQWVPCLL-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630995 1311634818 /nfs/dbraw/zinc/63/48/18/1311634818.db2.gz NTKVHKYQWVPCLL-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014632036 1311635185 /nfs/dbraw/zinc/63/51/85/1311635185.db2.gz QHIJUPHNFXUKKQ-QZTJIDSGSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001014632036 1311635186 /nfs/dbraw/zinc/63/51/86/1311635186.db2.gz QHIJUPHNFXUKKQ-QZTJIDSGSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014632041 1311635324 /nfs/dbraw/zinc/63/53/24/1311635324.db2.gz QHIJUPHNFXUKKQ-ZWKOTPCHSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014632041 1311635325 /nfs/dbraw/zinc/63/53/25/1311635325.db2.gz QHIJUPHNFXUKKQ-ZWKOTPCHSA-N 1 3 349.544 2.746 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014635855 1311637372 /nfs/dbraw/zinc/63/73/72/1311637372.db2.gz XOGPOFSAYJLWKB-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014635855 1311637376 /nfs/dbraw/zinc/63/73/76/1311637376.db2.gz XOGPOFSAYJLWKB-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635855 1311637380 /nfs/dbraw/zinc/63/73/80/1311637380.db2.gz XOGPOFSAYJLWKB-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635855 1311637384 /nfs/dbraw/zinc/63/73/84/1311637384.db2.gz XOGPOFSAYJLWKB-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001014635908 1311637498 /nfs/dbraw/zinc/63/74/98/1311637498.db2.gz XRHYZTXFLZKBQS-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001014635908 1311637499 /nfs/dbraw/zinc/63/74/99/1311637499.db2.gz XRHYZTXFLZKBQS-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[NH2+]CC(C)(C)C3)c2)CCO1 ZINC000902345893 1311657709 /nfs/dbraw/zinc/65/77/09/1311657709.db2.gz BOLCJDGGFOLCJL-XLIONFOSSA-N 1 3 345.531 2.775 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705272 1311676013 /nfs/dbraw/zinc/67/60/13/1311676013.db2.gz NHBVRGUDQRHBDR-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705272 1311676016 /nfs/dbraw/zinc/67/60/16/1311676016.db2.gz NHBVRGUDQRHBDR-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000902383121 1311693527 /nfs/dbraw/zinc/69/35/27/1311693527.db2.gz CSWWAJDKKKCAEZ-MOPGFXCFSA-N 1 3 343.515 2.588 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000902384085 1311694800 /nfs/dbraw/zinc/69/48/00/1311694800.db2.gz GWLBYLTZRBODCO-IRXDYDNUSA-N 1 3 330.476 2.661 20 0 EFADHO CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359925 1311695810 /nfs/dbraw/zinc/69/58/10/1311695810.db2.gz GKLHLHMWWQOLCB-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160359925 1311695811 /nfs/dbraw/zinc/69/58/11/1311695811.db2.gz GKLHLHMWWQOLCB-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001160428267 1311707335 /nfs/dbraw/zinc/70/73/35/1311707335.db2.gz XXPRPECZWWUCTA-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001160427774 1311707448 /nfs/dbraw/zinc/70/74/48/1311707448.db2.gz SZJJBBQFESFYCJ-JXFKEZNVSA-N 1 3 345.531 2.918 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCN[C@@H](C)c1nc2ccccc2o1)[NH+](C)C ZINC001160427898 1311707697 /nfs/dbraw/zinc/70/76/97/1311707697.db2.gz XCFPSOFDASLZBU-YOEHRIQHSA-N 1 3 346.475 2.571 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160428280 1311707981 /nfs/dbraw/zinc/70/79/81/1311707981.db2.gz YOHOBJXYXWQTIB-IBGZPJMESA-N 1 3 349.519 2.658 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1)N(C)C ZINC001160473892 1311718510 /nfs/dbraw/zinc/71/85/10/1311718510.db2.gz RXTACDPDRVDZHM-LJQANCHMSA-N 1 3 333.520 2.965 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1)N(C)C ZINC001160473892 1311718514 /nfs/dbraw/zinc/71/85/14/1311718514.db2.gz RXTACDPDRVDZHM-LJQANCHMSA-N 1 3 333.520 2.965 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2(N(C)C)CCC2)c1 ZINC001226782513 1311722716 /nfs/dbraw/zinc/72/27/16/1311722716.db2.gz NTQKOQJDBLVDKJ-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2=CCCCC2)CCC1 ZINC001226783196 1311722798 /nfs/dbraw/zinc/72/27/98/1311722798.db2.gz VAUKQXIIMZLAQP-QZTJIDSGSA-N 1 3 333.520 2.988 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)C1CC1 ZINC001226801397 1311725163 /nfs/dbraw/zinc/72/51/63/1311725163.db2.gz WJVISRVXSJDOCK-ZACQAIPSSA-N 1 3 335.517 2.605 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1 ZINC001160518209 1311725782 /nfs/dbraw/zinc/72/57/82/1311725782.db2.gz KDPQUAGWDJWTML-UHFFFAOYSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001160518209 1311725786 /nfs/dbraw/zinc/72/57/86/1311725786.db2.gz KDPQUAGWDJWTML-UHFFFAOYSA-N 1 3 335.536 2.901 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl)C1CCC1 ZINC001226830537 1311729450 /nfs/dbraw/zinc/72/94/50/1311729450.db2.gz IJAIXJODJMCRKL-ZIAGYGMSSA-N 1 3 348.318 2.807 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC001048388002 1311732626 /nfs/dbraw/zinc/73/26/26/1311732626.db2.gz UTRLPXVKSWFHPW-HKUYNNGSSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048388135 1311733103 /nfs/dbraw/zinc/73/31/03/1311733103.db2.gz VCRYTNKEUMBWSX-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)s1 ZINC001048395887 1311738942 /nfs/dbraw/zinc/73/89/42/1311738942.db2.gz FQPAGIIKCHDEGM-WBMJQRKESA-N 1 3 346.500 2.515 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)N(C)C ZINC001226922303 1311741354 /nfs/dbraw/zinc/74/13/54/1311741354.db2.gz OBABUXWRBKFYKZ-ZACQAIPSSA-N 1 3 337.533 2.851 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)N(C)C ZINC001226942184 1311744207 /nfs/dbraw/zinc/74/42/07/1311744207.db2.gz RPYMZUSVMPDRJU-ZACQAIPSSA-N 1 3 329.504 2.729 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048415397 1311753742 /nfs/dbraw/zinc/75/37/42/1311753742.db2.gz BCHGSIKLZGVHJB-ICSRJNTNSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001227057175 1311756513 /nfs/dbraw/zinc/75/65/13/1311756513.db2.gz PLPVSDHXPIFGFR-KZNAEPCWSA-N 1 3 335.536 2.924 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC001227090072 1311760140 /nfs/dbraw/zinc/76/01/40/1311760140.db2.gz DETLMEPYRLTEBG-DDQKFYEASA-N 1 3 348.318 2.807 20 0 EFADHO CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(CCC[NH+]1CCCCC1)C2 ZINC001277182245 1311764735 /nfs/dbraw/zinc/76/47/35/1311764735.db2.gz AYORCVORKTUXDF-BCDXTJNWSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC(C)C ZINC001227149931 1311768425 /nfs/dbraw/zinc/76/84/25/1311768425.db2.gz IABZUNGVTLLLHD-IAGOWNOFSA-N 1 3 341.540 2.549 20 0 EFADHO CN(Cc1ccc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1)C1CC1 ZINC001160741751 1311772237 /nfs/dbraw/zinc/77/22/37/1311772237.db2.gz GGVNUUIWSZMSCZ-KBPBESRZSA-N 1 3 328.382 2.628 20 0 EFADHO FC(F)(F)[C@@H]1C[NH2+]CC[C@H]1Nc1ncccc1CN1CCCC1 ZINC001160747361 1311773333 /nfs/dbraw/zinc/77/33/33/1311773333.db2.gz ISUNLAKZFWYILH-ZIAGYGMSSA-N 1 3 328.382 2.630 20 0 EFADHO FC(F)(F)[C@@H]1C[NH2+]CC[C@@H]1Nc1ncccc1CN1CCCC1 ZINC001160747359 1311773465 /nfs/dbraw/zinc/77/34/65/1311773465.db2.gz ISUNLAKZFWYILH-KGLIPLIRSA-N 1 3 328.382 2.630 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC000902476191 1311775682 /nfs/dbraw/zinc/77/56/82/1311775682.db2.gz NKTGOZHLSFMDRR-JEBQAFNWSA-N 1 3 337.870 2.926 20 0 EFADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911459 1311795977 /nfs/dbraw/zinc/79/59/77/1311795977.db2.gz UFRDEKNJXNACEM-GOSISDBHSA-N 1 3 331.504 2.553 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001160883291 1311802727 /nfs/dbraw/zinc/80/27/27/1311802727.db2.gz KJQCQCAXKSUCJA-LJQANCHMSA-N 1 3 331.504 2.890 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1F)N(C)C ZINC001160883490 1311803397 /nfs/dbraw/zinc/80/33/97/1311803397.db2.gz OQMQIWCDLAKNOH-SWLSCSKDSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CC/C=C\c1cccc(OC)c1)N(C)C ZINC001160889501 1311803625 /nfs/dbraw/zinc/80/36/25/1311803625.db2.gz LHEKSKJIUQCYGR-FUKWUPMWSA-N 1 3 347.503 2.535 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CCCOc1ccc(C)c(C)c1)N(C)C ZINC001160890084 1311803691 /nfs/dbraw/zinc/80/36/91/1311803691.db2.gz UOKZWASWSVBJPT-LJQANCHMSA-N 1 3 349.519 2.508 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001160889303 1311803907 /nfs/dbraw/zinc/80/39/07/1311803907.db2.gz HMVWUKYQHAYXGV-MLGOLLRUSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1F)N(C)C ZINC001160890133 1311803929 /nfs/dbraw/zinc/80/39/29/1311803929.db2.gz VXQBLLMKKBRIII-DLBZAZTESA-N 1 3 341.446 2.852 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC001160958226 1311821242 /nfs/dbraw/zinc/82/12/42/1311821242.db2.gz XRQMMXBCFCSFMT-SXLOBPIMSA-N 1 3 343.515 2.888 20 0 EFADHO C[NH2+]CCCC(=O)N(C)C[C@@H]1CCCCN1Cc1ccc(OC)cc1 ZINC001160958480 1311822106 /nfs/dbraw/zinc/82/21/06/1311822106.db2.gz XHHSXROHXCWDNB-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703165 1311841977 /nfs/dbraw/zinc/84/19/77/1311841977.db2.gz CUKVCXCZTHREHJ-QRVBRYPASA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC001227703709 1311842038 /nfs/dbraw/zinc/84/20/38/1311842038.db2.gz MASISVBWECQOPW-QRVBRYPASA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703164 1311842115 /nfs/dbraw/zinc/84/21/15/1311842115.db2.gz CUKVCXCZTHREHJ-GUDVDZBRSA-N 1 3 333.520 2.844 20 0 EFADHO CN(C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161064353 1311850575 /nfs/dbraw/zinc/85/05/75/1311850575.db2.gz PMLSGMAZCPTWCT-KURKYZTESA-N 1 3 331.504 2.582 20 0 EFADHO Cc1ccc(F)cc1CN1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088448 1311855703 /nfs/dbraw/zinc/85/57/03/1311855703.db2.gz AIYROCGWRLVPMB-UHFFFAOYSA-N 1 3 347.478 2.724 20 0 EFADHO Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](N)C2CC[NH2+]CC2)cc1C ZINC001161103247 1311857963 /nfs/dbraw/zinc/85/79/63/1311857963.db2.gz GZQMASUSAPSURG-OALUTQOASA-N 1 3 329.488 2.684 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c(C)s1 ZINC001227798304 1311857999 /nfs/dbraw/zinc/85/79/99/1311857999.db2.gz WQWQJPPHVGKTFN-SFHVURJKSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001227797973 1311858035 /nfs/dbraw/zinc/85/80/35/1311858035.db2.gz QBGYGLAWBKRCIY-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](CCCc3ccccc3)CC2)CCC1 ZINC001227807029 1311859163 /nfs/dbraw/zinc/85/91/63/1311859163.db2.gz LEWDZYCHCYMLGX-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)C1CC1 ZINC001227817857 1311860684 /nfs/dbraw/zinc/86/06/84/1311860684.db2.gz NQKDJEYTSDCUOC-IBGZPJMESA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCN(CCc2ccccc2F)CC1)[NH+](C)C ZINC001227899180 1311871214 /nfs/dbraw/zinc/87/12/14/1311871214.db2.gz BKESWEFNQZDJNI-IBGZPJMESA-N 1 3 349.494 2.535 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900938 1311871923 /nfs/dbraw/zinc/87/19/23/1311871923.db2.gz SJGOFPSLKLZTFW-ARFHVFGLSA-N 1 3 327.488 2.626 20 0 EFADHO Cc1ccc(CN(C(=O)[C@@H]2CNC[C@@H](F)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395548 1311878174 /nfs/dbraw/zinc/87/81/74/1311878174.db2.gz FSLRXALYEIONNS-VJANTYMQSA-N 1 3 347.478 2.541 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001015051365 1311882695 /nfs/dbraw/zinc/88/26/95/1311882695.db2.gz AROGUSJLKQZETE-AEFFLSMTSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001015051365 1311882699 /nfs/dbraw/zinc/88/26/99/1311882699.db2.gz AROGUSJLKQZETE-AEFFLSMTSA-N 1 3 349.544 2.602 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227979463 1311882950 /nfs/dbraw/zinc/88/29/50/1311882950.db2.gz HIMUZLBJNDRQKV-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccccc2C2CC2)CC1)N(C)C ZINC001227986614 1311884749 /nfs/dbraw/zinc/88/47/49/1311884749.db2.gz HAOQGJZITMJAFV-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)N(C)C ZINC001227987083 1311885054 /nfs/dbraw/zinc/88/50/54/1311885054.db2.gz RGSDKCHVCDNPGD-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001228065352 1311896488 /nfs/dbraw/zinc/89/64/88/1311896488.db2.gz OQYJNUOXYAFZBW-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001161487737 1311898773 /nfs/dbraw/zinc/89/87/73/1311898773.db2.gz ICWJTURSHJJCHS-CZUORRHYSA-N 1 3 344.286 2.971 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015088508 1311903772 /nfs/dbraw/zinc/90/37/72/1311903772.db2.gz BXSVSYIDFFKGIJ-LJQANCHMSA-N 1 3 341.499 2.568 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)cs1 ZINC001015112490 1311919349 /nfs/dbraw/zinc/91/93/49/1311919349.db2.gz DMJNOTITLSJHIA-MRXNPFEDSA-N 1 3 340.452 2.709 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccn4cncc4c3)C2)cs1 ZINC001015112490 1311919353 /nfs/dbraw/zinc/91/93/53/1311919353.db2.gz DMJNOTITLSJHIA-MRXNPFEDSA-N 1 3 340.452 2.709 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccn4cncc4c3)C2)cs1 ZINC001015112490 1311919357 /nfs/dbraw/zinc/91/93/57/1311919357.db2.gz DMJNOTITLSJHIA-MRXNPFEDSA-N 1 3 340.452 2.709 20 0 EFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1sccc1Cl ZINC001228365701 1311937283 /nfs/dbraw/zinc/93/72/83/1311937283.db2.gz HYIJBLFZXXVCIF-ZIAGYGMSSA-N 1 3 343.924 2.870 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001161645792 1311939054 /nfs/dbraw/zinc/93/90/54/1311939054.db2.gz RSHLZMUQNFIWGA-UHFFFAOYSA-N 1 3 335.517 2.728 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCC1=CCN(Cc2ccsc2)CC1 ZINC001161645792 1311939058 /nfs/dbraw/zinc/93/90/58/1311939058.db2.gz RSHLZMUQNFIWGA-UHFFFAOYSA-N 1 3 335.517 2.728 20 0 EFADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1CN(C)C)C2 ZINC001048590746 1311942971 /nfs/dbraw/zinc/94/29/71/1311942971.db2.gz YEUDSWAFMJEEDZ-VBUUOAMHSA-N 1 3 329.488 2.741 20 0 EFADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1CN(C)C)C2 ZINC001048590746 1311942974 /nfs/dbraw/zinc/94/29/74/1311942974.db2.gz YEUDSWAFMJEEDZ-VBUUOAMHSA-N 1 3 329.488 2.741 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NCCC2=CCN(Cc3ccsc3)CC2)C1 ZINC001161704521 1311955592 /nfs/dbraw/zinc/95/55/92/1311955592.db2.gz BTDIHVMFWFSRRV-QGZVFWFLSA-N 1 3 347.528 2.728 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NCCC2=CCN(Cc3ccsc3)CC2)C1 ZINC001161704521 1311955594 /nfs/dbraw/zinc/95/55/94/1311955594.db2.gz BTDIHVMFWFSRRV-QGZVFWFLSA-N 1 3 347.528 2.728 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCCCN2CCN(C)CC2)nc1 ZINC001161704032 1311956007 /nfs/dbraw/zinc/95/60/07/1311956007.db2.gz YNVHKVKWFJGKJL-SFHVURJKSA-N 1 3 345.535 2.505 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NCCCN2CCN(C)CC2)nc1 ZINC001161704032 1311956011 /nfs/dbraw/zinc/95/60/11/1311956011.db2.gz YNVHKVKWFJGKJL-SFHVURJKSA-N 1 3 345.535 2.505 20 0 EFADHO CC(C)C1=[NH+]CCc2ccc(NCCCN3CCN(C)CC3)cc21 ZINC001161711142 1311957408 /nfs/dbraw/zinc/95/74/08/1311957408.db2.gz WLSQYIDNJPZYRX-UHFFFAOYSA-N 1 3 328.504 2.737 20 0 EFADHO CN1CCN(CCCNc2ccc(SC3CC[NH2+]CC3)cc2)CC1 ZINC001161712113 1311957803 /nfs/dbraw/zinc/95/78/03/1311957803.db2.gz ZRKUWOGPGKRHRR-UHFFFAOYSA-N 1 3 348.560 2.580 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161758616 1311966910 /nfs/dbraw/zinc/96/69/10/1311966910.db2.gz IUXYRLWZKNWWBX-HSALFYBXSA-N 1 3 347.547 2.903 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161758616 1311966912 /nfs/dbraw/zinc/96/69/12/1311966912.db2.gz IUXYRLWZKNWWBX-HSALFYBXSA-N 1 3 347.547 2.903 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001161758788 1311967172 /nfs/dbraw/zinc/96/71/72/1311967172.db2.gz PVVQPPWVDNVVCS-UHFFFAOYSA-N 1 3 349.544 2.771 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001161758788 1311967175 /nfs/dbraw/zinc/96/71/75/1311967175.db2.gz PVVQPPWVDNVVCS-UHFFFAOYSA-N 1 3 349.544 2.771 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161758615 1311967313 /nfs/dbraw/zinc/96/73/13/1311967313.db2.gz IUXYRLWZKNWWBX-AQNXPRMDSA-N 1 3 347.547 2.903 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161758615 1311967316 /nfs/dbraw/zinc/96/73/16/1311967316.db2.gz IUXYRLWZKNWWBX-AQNXPRMDSA-N 1 3 347.547 2.903 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161784140 1311971822 /nfs/dbraw/zinc/97/18/22/1311971822.db2.gz DSZNJRTVDHAOQY-UHFFFAOYSA-N 1 3 344.503 2.835 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161784140 1311971825 /nfs/dbraw/zinc/97/18/25/1311971825.db2.gz DSZNJRTVDHAOQY-UHFFFAOYSA-N 1 3 344.503 2.835 20 0 EFADHO CN(C)CC[N@@H+]1CCC[C@@]2(CCCN(Cc3ccc4n3CCC4)C2)C1 ZINC001277330431 1312000985 /nfs/dbraw/zinc/00/09/85/1312000985.db2.gz JWELZJDEUMNHSE-OAQYLSRUSA-N 1 3 344.547 2.674 20 0 EFADHO CN(C)CC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc4n3CCC4)C2)C1 ZINC001277330431 1312000987 /nfs/dbraw/zinc/00/09/87/1312000987.db2.gz JWELZJDEUMNHSE-OAQYLSRUSA-N 1 3 344.547 2.674 20 0 EFADHO Cc1cccc(C[N@H+]2CC=C(CCNC(=O)CN(C)C(C)C)CC2)c1 ZINC001161942402 1312009637 /nfs/dbraw/zinc/00/96/37/1312009637.db2.gz WVTOHZBMQASVCB-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)CN(C)C(C)C)CC2)c1 ZINC001161942402 1312009640 /nfs/dbraw/zinc/00/96/40/1312009640.db2.gz WVTOHZBMQASVCB-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)C3(C[NH+](C)C)CC3)CC2)c(C)s1 ZINC001228865456 1312012882 /nfs/dbraw/zinc/01/28/82/1312012882.db2.gz ZKSOICVQGSHTJG-UHFFFAOYSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879424 1312014477 /nfs/dbraw/zinc/01/44/77/1312014477.db2.gz NATHLFGOPUPSPF-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001228904927 1312018056 /nfs/dbraw/zinc/01/80/56/1312018056.db2.gz ZLWLTPVIYNFNIM-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904492 1312018192 /nfs/dbraw/zinc/01/81/92/1312018192.db2.gz JGSNRGNEHQQXFE-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCCCC1 ZINC001228924486 1312021038 /nfs/dbraw/zinc/02/10/38/1312021038.db2.gz DWTBEHMMUJZZBM-BRWVUGGUSA-N 1 3 327.488 2.628 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC001229000094 1312034741 /nfs/dbraw/zinc/03/47/41/1312034741.db2.gz ZOOKVPKOIIQRDL-ARJAWSKDSA-N 1 3 349.906 2.886 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001229007721 1312035251 /nfs/dbraw/zinc/03/52/51/1312035251.db2.gz CMJFOVJYYSJOLB-UHFFFAOYSA-N 1 3 329.488 2.596 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COC ZINC001229173415 1312057150 /nfs/dbraw/zinc/05/71/50/1312057150.db2.gz DAICFUDUNRHWDP-RCCFBDPRSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC001229230475 1312064342 /nfs/dbraw/zinc/06/43/42/1312064342.db2.gz ICJADNJEJHHJBY-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001229231237 1312064850 /nfs/dbraw/zinc/06/48/50/1312064850.db2.gz OFOZHBSLJPTONL-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC001229253848 1312068647 /nfs/dbraw/zinc/06/86/47/1312068647.db2.gz LHHZCBFQOORRHL-BEFAXECRSA-N 1 3 347.503 2.677 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390500 1312090938 /nfs/dbraw/zinc/09/09/38/1312090938.db2.gz CZLGJWLRBFNQQZ-OALUTQOASA-N 1 3 345.531 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390500 1312090940 /nfs/dbraw/zinc/09/09/40/1312090940.db2.gz CZLGJWLRBFNQQZ-OALUTQOASA-N 1 3 345.531 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390495 1312091045 /nfs/dbraw/zinc/09/10/45/1312091045.db2.gz CZLGJWLRBFNQQZ-MOPGFXCFSA-N 1 3 345.531 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390495 1312091046 /nfs/dbraw/zinc/09/10/46/1312091046.db2.gz CZLGJWLRBFNQQZ-MOPGFXCFSA-N 1 3 345.531 2.632 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015392001 1312092182 /nfs/dbraw/zinc/09/21/82/1312092182.db2.gz LUJZQEGQDGRSQU-SFHVURJKSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N1CCCCCC1 ZINC001229461621 1312100583 /nfs/dbraw/zinc/10/05/83/1312100583.db2.gz BWSBZOSGJSQIFL-QGZVFWFLSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001162461082 1312107797 /nfs/dbraw/zinc/10/77/97/1312107797.db2.gz MYZMRBJPZRIBGZ-KBPBESRZSA-N 1 3 347.507 2.573 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccco1)C2 ZINC001277398958 1312110500 /nfs/dbraw/zinc/11/05/00/1312110500.db2.gz DLKPPEMHKZFKBE-IZZQQSIFSA-N 1 3 347.503 2.538 20 0 EFADHO CCC(=O)C1(c2cccc(O[C@@H](C)C[NH+](C)C)c2)CCN(C)CC1 ZINC001229734773 1312129980 /nfs/dbraw/zinc/12/99/80/1312129980.db2.gz CQSGHFAQAJQUSG-INIZCTEOSA-N 1 3 332.488 2.958 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)N(C)C ZINC001229746327 1312131743 /nfs/dbraw/zinc/13/17/43/1312131743.db2.gz KKQZLQGZXHPYTG-ZACQAIPSSA-N 1 3 337.533 2.648 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC001229859841 1312150843 /nfs/dbraw/zinc/15/08/43/1312150843.db2.gz FPLPANDXCWONCC-RTBURBONSA-N 1 3 346.519 2.557 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1F ZINC001229868481 1312151692 /nfs/dbraw/zinc/15/16/92/1312151692.db2.gz JCSAZEVQUUBTGN-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499873 1312154697 /nfs/dbraw/zinc/15/46/97/1312154697.db2.gz RHNUOUVZDODWIJ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001015499873 1312154700 /nfs/dbraw/zinc/15/47/00/1312154700.db2.gz RHNUOUVZDODWIJ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC001015502293 1312155915 /nfs/dbraw/zinc/15/59/15/1312155915.db2.gz FHIAWTLDRCBJCG-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC001015502293 1312155918 /nfs/dbraw/zinc/15/59/18/1312155918.db2.gz FHIAWTLDRCBJCG-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)c1 ZINC001015502576 1312156638 /nfs/dbraw/zinc/15/66/38/1312156638.db2.gz GMBQTYZTJAJTBJ-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1 ZINC001229933681 1312161019 /nfs/dbraw/zinc/16/10/19/1312161019.db2.gz UVJQGCUKTMUOLR-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO C[NH+](C)[C@](C)(C(=O)NC1CCN(C/C=C/Cl)CC1)c1ccccc1 ZINC001229998891 1312168163 /nfs/dbraw/zinc/16/81/63/1312168163.db2.gz FINBZPRKTWEPKH-UBIUBJKMSA-N 1 3 349.906 2.797 20 0 EFADHO COCC[N@H+](C)Cc1ccnc(-n2c3ccccc3nc2[C@@H](C)N)c1 ZINC001162764575 1312170965 /nfs/dbraw/zinc/17/09/65/1312170965.db2.gz YVUCYXYFGLRYIH-CQSZACIVSA-N 1 3 339.443 2.518 20 0 EFADHO COCC[N@@H+](C)Cc1ccnc(-n2c3ccccc3nc2[C@@H](C)N)c1 ZINC001162764575 1312170967 /nfs/dbraw/zinc/17/09/67/1312170967.db2.gz YVUCYXYFGLRYIH-CQSZACIVSA-N 1 3 339.443 2.518 20 0 EFADHO Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162764693 1312171179 /nfs/dbraw/zinc/17/11/79/1312171179.db2.gz ZZEQSNYJLRJZEY-OCCSQVGLSA-N 1 3 336.443 2.611 20 0 EFADHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001162764694 1312171258 /nfs/dbraw/zinc/17/12/58/1312171258.db2.gz ZZEQSNYJLRJZEY-TZMCWYRMSA-N 1 3 336.443 2.611 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001162766878 1312171821 /nfs/dbraw/zinc/17/18/21/1312171821.db2.gz RAIDKNPDMJGRJU-IUODEOHRSA-N 1 3 347.426 2.512 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001162777079 1312173683 /nfs/dbraw/zinc/17/36/83/1312173683.db2.gz KJMSGHMTDUPLEY-GFCCVEGCSA-N 1 3 334.427 2.983 20 0 EFADHO c1cc2c(cc1CNc1cncc([C@H]3CN4CCC3CC4)n1)CC[NH2+]C2 ZINC001162807267 1312180021 /nfs/dbraw/zinc/18/00/21/1312180021.db2.gz DPJMATYUQRBTRC-IBGZPJMESA-N 1 3 349.482 2.544 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832257 1312186379 /nfs/dbraw/zinc/18/63/79/1312186379.db2.gz MQWZRXNUFZCDNU-FQEVSTJZSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC001230101621 1312186947 /nfs/dbraw/zinc/18/69/47/1312186947.db2.gz VGJJVZOSDDBXHY-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC001230101621 1312186950 /nfs/dbraw/zinc/18/69/50/1312186950.db2.gz VGJJVZOSDDBXHY-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836479 1312187522 /nfs/dbraw/zinc/18/75/22/1312187522.db2.gz JVCNSQGERDBWNW-IBGZPJMESA-N 1 3 333.520 2.644 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001230112978 1312188342 /nfs/dbraw/zinc/18/83/42/1312188342.db2.gz KBDWPABDICZNOZ-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2cccc(CC)c2)CC1 ZINC001230112825 1312188678 /nfs/dbraw/zinc/18/86/78/1312188678.db2.gz BORXVABFGKYXJP-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001230115153 1312189409 /nfs/dbraw/zinc/18/94/09/1312189409.db2.gz AQHBIXSHUSCNAB-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(C)C(C)(C)C(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1 ZINC001162850723 1312189902 /nfs/dbraw/zinc/18/99/02/1312189902.db2.gz PVMSCUSBWUOOMU-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597073 1312203773 /nfs/dbraw/zinc/20/37/73/1312203773.db2.gz LOQPCELLGBAUDV-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597073 1312203776 /nfs/dbraw/zinc/20/37/76/1312203776.db2.gz LOQPCELLGBAUDV-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001162919089 1312204087 /nfs/dbraw/zinc/20/40/87/1312204087.db2.gz LRYDOZIBPMADFI-LJQANCHMSA-N 1 3 333.520 2.642 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001230280273 1312214514 /nfs/dbraw/zinc/21/45/14/1312214514.db2.gz SFJDNBGMVHOZLD-QZTJIDSGSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1C ZINC001015611298 1312214561 /nfs/dbraw/zinc/21/45/61/1312214561.db2.gz GSNAHFORCDTDLW-YSIASYRMSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1C ZINC001015611298 1312214563 /nfs/dbraw/zinc/21/45/63/1312214563.db2.gz GSNAHFORCDTDLW-YSIASYRMSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230279962 1312214746 /nfs/dbraw/zinc/21/47/46/1312214746.db2.gz KPHQPNYCSNIHIF-RTBURBONSA-N 1 3 349.494 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048875640 1312215460 /nfs/dbraw/zinc/21/54/60/1312215460.db2.gz GBKYKZQLTNIGCE-LMCOJAPRSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048875640 1312215463 /nfs/dbraw/zinc/21/54/63/1312215463.db2.gz GBKYKZQLTNIGCE-LMCOJAPRSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001230284573 1312215474 /nfs/dbraw/zinc/21/54/74/1312215474.db2.gz LMFRGLBEYTUJOV-CHWSQXEVSA-N 1 3 336.307 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001048876673 1312216698 /nfs/dbraw/zinc/21/66/98/1312216698.db2.gz ZOYZZPHNRXWVCH-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001048876673 1312216702 /nfs/dbraw/zinc/21/67/02/1312216702.db2.gz ZOYZZPHNRXWVCH-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(Cc1cnc(NC(=O)OC(C)(C)C)[nH]1)CC2 ZINC001277452689 1312217101 /nfs/dbraw/zinc/21/71/01/1312217101.db2.gz YKPVECKHXDMGGY-UHFFFAOYSA-N 1 3 349.479 2.674 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(Cc1cnc(NC(=O)OC(C)(C)C)[nH]1)CC2 ZINC001277452689 1312217104 /nfs/dbraw/zinc/21/71/04/1312217104.db2.gz YKPVECKHXDMGGY-UHFFFAOYSA-N 1 3 349.479 2.674 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH2+]CC1CCC1)CCc1ccccc1 ZINC001162987686 1312219665 /nfs/dbraw/zinc/21/96/65/1312219665.db2.gz UFGMJCFMMLNHPJ-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001163006693 1312224404 /nfs/dbraw/zinc/22/44/04/1312224404.db2.gz JBHXVXZYGIARGH-HXUWFJFHSA-N 1 3 345.531 2.932 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1c(Cl)nc(Cl)nc1C1CC1 ZINC001163130162 1312247433 /nfs/dbraw/zinc/24/74/33/1312247433.db2.gz XZCKGSCHRBBMKZ-UHFFFAOYSA-N 1 3 345.278 2.939 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001163007062 1312225391 /nfs/dbraw/zinc/22/53/91/1312225391.db2.gz ODTFVTLQXPHJKN-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888129 1312226529 /nfs/dbraw/zinc/22/65/29/1312226529.db2.gz IHPCWHLXMQSNPW-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048888129 1312226532 /nfs/dbraw/zinc/22/65/32/1312226532.db2.gz IHPCWHLXMQSNPW-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001048891619 1312230826 /nfs/dbraw/zinc/23/08/26/1312230826.db2.gz SINMHROQCUTKOT-FTEYMNFISA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001048891619 1312230829 /nfs/dbraw/zinc/23/08/29/1312230829.db2.gz SINMHROQCUTKOT-FTEYMNFISA-N 1 3 343.515 2.786 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCCc2ccccc2)CC1 ZINC001230374491 1312232358 /nfs/dbraw/zinc/23/23/58/1312232358.db2.gz ZIXDELVVORYEJG-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H]1CCCCN1c1cccc(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001163087942 1312238194 /nfs/dbraw/zinc/23/81/94/1312238194.db2.gz VGWOIARDGYRIMH-JKSUJKDBSA-N 1 3 330.476 2.641 20 0 EFADHO Fc1ccc(NCC[C@H]2CCOC23C[NH2+]C3)cc1CN1CCCC1 ZINC001163094679 1312239289 /nfs/dbraw/zinc/23/92/89/1312239289.db2.gz AJQORIYISVSDRS-INIZCTEOSA-N 1 3 333.451 2.602 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc2ccc(OC)cc2cc1C ZINC001163122164 1312245455 /nfs/dbraw/zinc/24/54/55/1312245455.db2.gz CHJVBEHMAGMTDE-UHFFFAOYSA-N 1 3 329.448 2.830 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655013 1312250597 /nfs/dbraw/zinc/25/05/97/1312250597.db2.gz JXJNYWXWBIUONN-LJQANCHMSA-N 1 3 343.515 2.842 20 0 EFADHO CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537541 1312259799 /nfs/dbraw/zinc/25/97/99/1312259799.db2.gz HOVWRDFRZSIRJU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001230537541 1312259803 /nfs/dbraw/zinc/25/98/03/1312259803.db2.gz HOVWRDFRZSIRJU-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO c1cc2c(s1)[C@H](Nc1cncc([C@@H]3C[NH+]4CCC3CC4)n1)CNC2 ZINC001163227175 1312268876 /nfs/dbraw/zinc/26/88/76/1312268876.db2.gz RCBNGGGHVGHKCB-GDBMZVCRSA-N 1 3 341.484 2.604 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230617594 1312284825 /nfs/dbraw/zinc/28/48/25/1312284825.db2.gz DBOOYPSZLKEBLB-MPNRVQBSSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230617594 1312284828 /nfs/dbraw/zinc/28/48/28/1312284828.db2.gz DBOOYPSZLKEBLB-MPNRVQBSSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230618894 1312285579 /nfs/dbraw/zinc/28/55/79/1312285579.db2.gz SKLRLYNWOWFYLP-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230618894 1312285582 /nfs/dbraw/zinc/28/55/82/1312285582.db2.gz SKLRLYNWOWFYLP-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001230617833 1312285609 /nfs/dbraw/zinc/28/56/09/1312285609.db2.gz GNPMYXJHIRCEJD-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@@H](F)CC)CC1 ZINC001230617833 1312285613 /nfs/dbraw/zinc/28/56/13/1312285613.db2.gz GNPMYXJHIRCEJD-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001230617822 1312286135 /nfs/dbraw/zinc/28/61/35/1312286135.db2.gz GGUXTPGJPSAJFL-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001230617822 1312286138 /nfs/dbraw/zinc/28/61/38/1312286138.db2.gz GGUXTPGJPSAJFL-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163316809 1312287843 /nfs/dbraw/zinc/28/78/43/1312287843.db2.gz QVCFNTSYNBDVBH-GPMSIDNRSA-N 1 3 330.476 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230628542 1312288988 /nfs/dbraw/zinc/28/89/88/1312288988.db2.gz JGSAPBWKBVSOLE-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230628542 1312288992 /nfs/dbraw/zinc/28/89/92/1312288992.db2.gz JGSAPBWKBVSOLE-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230631337 1312290634 /nfs/dbraw/zinc/29/06/34/1312290634.db2.gz ZFUJKIOGJJASDF-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230631337 1312290637 /nfs/dbraw/zinc/29/06/37/1312290637.db2.gz ZFUJKIOGJJASDF-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705862 1312292109 /nfs/dbraw/zinc/29/21/09/1312292109.db2.gz QLHBUEBYYYPQTE-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705862 1312292112 /nfs/dbraw/zinc/29/21/12/1312292112.db2.gz QLHBUEBYYYPQTE-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713233 1312296640 /nfs/dbraw/zinc/29/66/40/1312296640.db2.gz KVBJBAXGRCDPBJ-LJQANCHMSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H](C)O1 ZINC000903060354 1312317217 /nfs/dbraw/zinc/31/72/17/1312317217.db2.gz XFSCIVTUEKZCDB-NQMRIUJISA-N 1 3 335.536 2.622 20 0 EFADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H](C)O1 ZINC000903060354 1312317221 /nfs/dbraw/zinc/31/72/21/1312317221.db2.gz XFSCIVTUEKZCDB-NQMRIUJISA-N 1 3 335.536 2.622 20 0 EFADHO C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C1(N2CCOCC2)CCCCC1 ZINC000903059510 1312317265 /nfs/dbraw/zinc/31/72/65/1312317265.db2.gz ZBXUPOVZWHSSFG-CTXDPNEZSA-N 1 3 347.547 2.769 20 0 EFADHO C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C1(N2CCOCC2)CCCCC1 ZINC000903059510 1312317267 /nfs/dbraw/zinc/31/72/67/1312317267.db2.gz ZBXUPOVZWHSSFG-CTXDPNEZSA-N 1 3 347.547 2.769 20 0 EFADHO c1ccc2c(c1)CCN(CCNC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)C2 ZINC000903062660 1312319441 /nfs/dbraw/zinc/31/94/41/1312319441.db2.gz VBDHBUOYWKRMTB-VCSGRIEYSA-N 1 3 325.500 2.792 20 0 EFADHO c1ccc2c(c1)CCN(CCNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)C2 ZINC000903062660 1312319443 /nfs/dbraw/zinc/31/94/43/1312319443.db2.gz VBDHBUOYWKRMTB-VCSGRIEYSA-N 1 3 325.500 2.792 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076466 1312329777 /nfs/dbraw/zinc/32/97/77/1312329777.db2.gz QNTYHHNYJGOILG-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076466 1312329783 /nfs/dbraw/zinc/32/97/83/1312329783.db2.gz QNTYHHNYJGOILG-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)C2(NC(=O)OC(C)(C)C)CC2)C1 ZINC000903076466 1312329787 /nfs/dbraw/zinc/32/97/87/1312329787.db2.gz QNTYHHNYJGOILG-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CCCC[N@H+](CCCNC(=O)[C@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778478 1312339251 /nfs/dbraw/zinc/33/92/51/1312339251.db2.gz PRXVTRRAILXSCW-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)[C@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778478 1312339252 /nfs/dbraw/zinc/33/92/52/1312339252.db2.gz PRXVTRRAILXSCW-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C)Cc1cccnc1 ZINC001230778763 1312339790 /nfs/dbraw/zinc/33/97/90/1312339790.db2.gz WIZCLNHACVQPFR-LJQANCHMSA-N 1 3 346.519 2.673 20 0 EFADHO CCN(CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C)Cc1cccnc1 ZINC001230778763 1312339793 /nfs/dbraw/zinc/33/97/93/1312339793.db2.gz WIZCLNHACVQPFR-LJQANCHMSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107265 1312361110 /nfs/dbraw/zinc/36/11/10/1312361110.db2.gz PLBVFSMOAJWQMU-KKUMJFAQSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107265 1312361113 /nfs/dbraw/zinc/36/11/13/1312361113.db2.gz PLBVFSMOAJWQMU-KKUMJFAQSA-N 1 3 325.497 2.895 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001015793021 1312362165 /nfs/dbraw/zinc/36/21/65/1312362165.db2.gz KKIBHJIXGBFCAJ-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001015793022 1312362224 /nfs/dbraw/zinc/36/22/24/1312362224.db2.gz KKIBHJIXGBFCAJ-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015793656 1312363095 /nfs/dbraw/zinc/36/30/95/1312363095.db2.gz BXMDROZLNMVHAP-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015793656 1312363099 /nfs/dbraw/zinc/36/30/99/1312363099.db2.gz BXMDROZLNMVHAP-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CCCC[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230840980 1312366842 /nfs/dbraw/zinc/36/68/42/1312366842.db2.gz LYKDCDNDWHCKOC-LJQANCHMSA-N 1 3 348.535 2.776 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230840980 1312366844 /nfs/dbraw/zinc/36/68/44/1312366844.db2.gz LYKDCDNDWHCKOC-LJQANCHMSA-N 1 3 348.535 2.776 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001015796761 1312366955 /nfs/dbraw/zinc/36/69/55/1312366955.db2.gz QFVUNODXYMLRPH-IBGZPJMESA-N 1 3 347.478 2.579 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c(C)s1 ZINC001015796906 1312367528 /nfs/dbraw/zinc/36/75/28/1312367528.db2.gz SVCVGTARHDWYME-SFHVURJKSA-N 1 3 349.544 2.787 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@@H+](Cc1cccnc1)CC1CCC1 ZINC001230871573 1312375718 /nfs/dbraw/zinc/37/57/18/1312375718.db2.gz MUPCFKAHRDZGNO-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@H+](Cc1cccnc1)CC1CCC1 ZINC001230871573 1312375721 /nfs/dbraw/zinc/37/57/21/1312375721.db2.gz MUPCFKAHRDZGNO-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC001163822160 1312388362 /nfs/dbraw/zinc/38/83/62/1312388362.db2.gz UBVYBDQCOKMZGE-YJBOKZPZSA-N 1 3 347.478 2.857 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001049040236 1312393132 /nfs/dbraw/zinc/39/31/32/1312393132.db2.gz ZOYZZPHNRXWVCH-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1)N(C)C ZINC001049040236 1312393135 /nfs/dbraw/zinc/39/31/35/1312393135.db2.gz ZOYZZPHNRXWVCH-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1 ZINC001049057086 1312413298 /nfs/dbraw/zinc/41/32/98/1312413298.db2.gz LEBLDNSBAVXDSQ-TUEWSUPBSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1 ZINC001049057086 1312413301 /nfs/dbraw/zinc/41/33/01/1312413301.db2.gz LEBLDNSBAVXDSQ-TUEWSUPBSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)C1 ZINC001049058528 1312413387 /nfs/dbraw/zinc/41/33/87/1312413387.db2.gz FWNXDWDZWNXJDN-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCCC4)C[C@@H]3C2)C1 ZINC001049058528 1312413390 /nfs/dbraw/zinc/41/33/90/1312413390.db2.gz FWNXDWDZWNXJDN-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCCC4)C[C@@H]3C2)C1 ZINC001049059541 1312413633 /nfs/dbraw/zinc/41/36/33/1312413633.db2.gz UHMAKTGXXVTXSP-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCCC4)C[C@@H]3C2)C1 ZINC001049059541 1312413638 /nfs/dbraw/zinc/41/36/38/1312413638.db2.gz UHMAKTGXXVTXSP-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1)N(C)C ZINC001049065779 1312419065 /nfs/dbraw/zinc/41/90/65/1312419065.db2.gz XGBGKRWZAVLKDV-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1)N(C)C ZINC001049065779 1312419069 /nfs/dbraw/zinc/41/90/69/1312419069.db2.gz XGBGKRWZAVLKDV-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082906 1312436136 /nfs/dbraw/zinc/43/61/36/1312436136.db2.gz LCTYLUSUPMTLPD-XWTMOSNGSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082906 1312436141 /nfs/dbraw/zinc/43/61/41/1312436141.db2.gz LCTYLUSUPMTLPD-XWTMOSNGSA-N 1 3 344.503 2.559 20 0 EFADHO COc1nccc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc21 ZINC001164210369 1312468639 /nfs/dbraw/zinc/46/86/39/1312468639.db2.gz BYEIDXAJKJGOTA-UHFFFAOYSA-N 1 3 328.460 2.681 20 0 EFADHO COc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c2ccncc12 ZINC001164216388 1312470734 /nfs/dbraw/zinc/47/07/34/1312470734.db2.gz ZYDQRAFXFDBGOE-UHFFFAOYSA-N 1 3 328.460 2.681 20 0 EFADHO COC(=O)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)c(C)c1C ZINC001164217495 1312470875 /nfs/dbraw/zinc/47/08/75/1312470875.db2.gz VPZMMKMCBMLNQV-UHFFFAOYSA-N 1 3 333.476 2.528 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCOc1ccccc1F ZINC001277500605 1312472194 /nfs/dbraw/zinc/47/21/94/1312472194.db2.gz PLYFPRHYYWJBAR-AYHJJNSGSA-N 1 3 349.494 2.741 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997577 1312500326 /nfs/dbraw/zinc/50/03/26/1312500326.db2.gz FMGLIGFJTLIEMD-ICSRJNTNSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997577 1312500329 /nfs/dbraw/zinc/50/03/29/1312500329.db2.gz FMGLIGFJTLIEMD-ICSRJNTNSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997579 1312500603 /nfs/dbraw/zinc/50/06/03/1312500603.db2.gz FMGLIGFJTLIEMD-UYAOXDASSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997579 1312500605 /nfs/dbraw/zinc/50/06/05/1312500605.db2.gz FMGLIGFJTLIEMD-UYAOXDASSA-N 1 3 343.515 2.842 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998219 1312501287 /nfs/dbraw/zinc/50/12/87/1312501287.db2.gz MWJDUZIKFOVEBT-YLJYHZDGSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998219 1312501291 /nfs/dbraw/zinc/50/12/91/1312501291.db2.gz MWJDUZIKFOVEBT-YLJYHZDGSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998868 1312501480 /nfs/dbraw/zinc/50/14/80/1312501480.db2.gz RAXIMVOYZWPZHQ-MJGOQNOKSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998868 1312501482 /nfs/dbraw/zinc/50/14/82/1312501482.db2.gz RAXIMVOYZWPZHQ-MJGOQNOKSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536605 1312535158 /nfs/dbraw/zinc/53/51/58/1312535158.db2.gz NXYBKPNMGOUIDY-MRXNPFEDSA-N 1 3 341.515 2.875 20 0 EFADHO Cc1ccc(O)cc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001277552042 1312551150 /nfs/dbraw/zinc/55/11/50/1312551150.db2.gz SZPOAEKQEFVBAI-FQEVSTJZSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(O)cc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001277552042 1312551154 /nfs/dbraw/zinc/55/11/54/1312551154.db2.gz SZPOAEKQEFVBAI-FQEVSTJZSA-N 1 3 331.504 2.550 20 0 EFADHO CN(Cc1ccc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)nc1)C1CC1 ZINC001164628202 1312553097 /nfs/dbraw/zinc/55/30/97/1312553097.db2.gz YMNWJCOKRBDRNU-IBGZPJMESA-N 1 3 336.483 2.697 20 0 EFADHO CN(C)Cc1ccnc(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1 ZINC001165158680 1312579879 /nfs/dbraw/zinc/57/98/79/1312579879.db2.gz CSSCVCWQGGVCEO-UHFFFAOYSA-N 1 3 336.483 2.785 20 0 EFADHO c1ccc([C@@]23C[NH2+]C[C@H]2CN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001165169420 1312580681 /nfs/dbraw/zinc/58/06/81/1312580681.db2.gz QABMXJBJGJZIJB-UNMCSNQZSA-N 1 3 348.494 2.655 20 0 EFADHO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3cc4cnccc4[nH]3)C[C@H]2C1 ZINC001232014053 1312606274 /nfs/dbraw/zinc/60/62/74/1312606274.db2.gz GKPJNNDEDCPOCU-MKZZRHPPSA-N 1 3 338.455 2.690 20 0 EFADHO O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@H]2C1 ZINC001232014053 1312606275 /nfs/dbraw/zinc/60/62/75/1312606275.db2.gz GKPJNNDEDCPOCU-MKZZRHPPSA-N 1 3 338.455 2.690 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231842 1312606479 /nfs/dbraw/zinc/60/64/79/1312606479.db2.gz MTVJZLWFMHXTCV-PBWTXFEYSA-N 1 3 335.536 2.686 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231842 1312606480 /nfs/dbraw/zinc/60/64/80/1312606480.db2.gz MTVJZLWFMHXTCV-PBWTXFEYSA-N 1 3 335.536 2.686 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001049232946 1312607578 /nfs/dbraw/zinc/60/75/78/1312607578.db2.gz FYIGBXNHEWCDEE-HSALFYBXSA-N 1 3 345.531 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)C[C@@H]2C1 ZINC001049232946 1312607582 /nfs/dbraw/zinc/60/75/82/1312607582.db2.gz FYIGBXNHEWCDEE-HSALFYBXSA-N 1 3 345.531 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001049232975 1312607832 /nfs/dbraw/zinc/60/78/32/1312607832.db2.gz GWLCYBQLGZBJLE-FGTMMUONSA-N 1 3 347.528 2.513 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001049232975 1312607836 /nfs/dbraw/zinc/60/78/36/1312607836.db2.gz GWLCYBQLGZBJLE-FGTMMUONSA-N 1 3 347.528 2.513 20 0 EFADHO CN(Cc1ccc(=O)[nH]n1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232026802 1312608120 /nfs/dbraw/zinc/60/81/20/1312608120.db2.gz YSHKGCHICQYSDT-UHFFFAOYSA-N 1 3 326.444 2.526 20 0 EFADHO CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145882 1312633702 /nfs/dbraw/zinc/63/37/02/1312633702.db2.gz ZGAZUJYXACSUCO-SFHVURJKSA-N 1 3 349.494 2.968 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]Cc3ccccc3)CC2)CCC1 ZINC001165465074 1312634263 /nfs/dbraw/zinc/63/42/63/1312634263.db2.gz SBBDTPCXFKWCOP-UHFFFAOYSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485544 1312636892 /nfs/dbraw/zinc/63/68/92/1312636892.db2.gz YPSNBPFEYRHDPV-LJQANCHMSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485543 1312637016 /nfs/dbraw/zinc/63/70/16/1312637016.db2.gz YPSNBPFEYRHDPV-IBGZPJMESA-N 1 3 343.515 2.711 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1)C1CCC1 ZINC001165501402 1312639067 /nfs/dbraw/zinc/63/90/67/1312639067.db2.gz HLYHJQZCEJFHEH-UHFFFAOYSA-N 1 3 348.318 2.666 20 0 EFADHO CCC(CC)C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165616797 1312653297 /nfs/dbraw/zinc/65/32/97/1312653297.db2.gz BUDZQVVHIFTEGU-KRWDZBQOSA-N 1 3 325.541 2.885 20 0 EFADHO COCc1cccc(CN2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001232252512 1312657938 /nfs/dbraw/zinc/65/79/38/1312657938.db2.gz YQUTYLOVECGYIT-UHFFFAOYSA-N 1 3 347.503 2.552 20 0 EFADHO CN(C)C(=O)CCN1CCC[C@@]2(CC[N@H+](CCCC(F)(F)F)C2)C1 ZINC001277636934 1312659111 /nfs/dbraw/zinc/65/91/11/1312659111.db2.gz OJOWEKRDBHAOSK-MRXNPFEDSA-N 1 3 349.441 2.595 20 0 EFADHO CN(C)C(=O)CCN1CCC[C@@]2(CC[N@@H+](CCCC(F)(F)F)C2)C1 ZINC001277636934 1312659114 /nfs/dbraw/zinc/65/91/14/1312659114.db2.gz OJOWEKRDBHAOSK-MRXNPFEDSA-N 1 3 349.441 2.595 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC001165718213 1312669168 /nfs/dbraw/zinc/66/91/68/1312669168.db2.gz DXKRQOYIJACRQY-SJLPKXTDSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001165717990 1312669609 /nfs/dbraw/zinc/66/96/09/1312669609.db2.gz CKAXMWYXZJURKB-GOSISDBHSA-N 1 3 331.504 2.711 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867368 1314433690 /nfs/dbraw/zinc/43/36/90/1314433690.db2.gz LQZQVINZDDYRRO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867368 1314433693 /nfs/dbraw/zinc/43/36/93/1314433693.db2.gz LQZQVINZDDYRRO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867370 1314433836 /nfs/dbraw/zinc/43/38/36/1314433836.db2.gz LQZQVINZDDYRRO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867370 1314433838 /nfs/dbraw/zinc/43/38/38/1314433838.db2.gz LQZQVINZDDYRRO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001052899236 1314460511 /nfs/dbraw/zinc/46/05/11/1314460511.db2.gz PRJWNZKWIMRAHH-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001052899236 1314460515 /nfs/dbraw/zinc/46/05/15/1314460515.db2.gz PRJWNZKWIMRAHH-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001211267540 1314466096 /nfs/dbraw/zinc/46/60/96/1314466096.db2.gz BVYXLOVHMAJRBJ-SSVWKNEZSA-N 1 3 329.488 2.621 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001211269493 1314467001 /nfs/dbraw/zinc/46/70/01/1314467001.db2.gz RQGIPJOEHCGHSW-KRWDZBQOSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001211285777 1314469605 /nfs/dbraw/zinc/46/96/05/1314469605.db2.gz RJNKTROUZOKZLM-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211284370 1314469653 /nfs/dbraw/zinc/46/96/53/1314469653.db2.gz LIZRYVOCUCXFBV-SJLPKXTDSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001211284877 1314469757 /nfs/dbraw/zinc/46/97/57/1314469757.db2.gz OIQIWFCSUNLXJD-HKUYNNGSSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001211284552 1314469932 /nfs/dbraw/zinc/46/99/32/1314469932.db2.gz MWWDYQDEXBXZSP-SFHVURJKSA-N 1 3 342.487 2.589 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001211285577 1314469939 /nfs/dbraw/zinc/46/99/39/1314469939.db2.gz PRCJCBJURSWXDG-QUCCMNQESA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001211336902 1314478712 /nfs/dbraw/zinc/47/87/12/1314478712.db2.gz FYEZOGCCCNMTLQ-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC001211336902 1314478713 /nfs/dbraw/zinc/47/87/13/1314478713.db2.gz FYEZOGCCCNMTLQ-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C)N1CCCC1 ZINC001211358797 1314483787 /nfs/dbraw/zinc/48/37/87/1314483787.db2.gz MAYWFEMDJVVFHW-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C)N1CCCC1 ZINC001211358797 1314483790 /nfs/dbraw/zinc/48/37/90/1314483790.db2.gz MAYWFEMDJVVFHW-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO c1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001245426844 1314488626 /nfs/dbraw/zinc/48/86/26/1314488626.db2.gz KFIRZTWMOYPKGF-AZUAARDMSA-N 1 3 328.456 2.695 20 0 EFADHO C[NH+](C)Cc1c[nH]c2nccc(C3=CC[C@@H](N4CCOCC4)CC3)c12 ZINC001245429863 1314490294 /nfs/dbraw/zinc/49/02/94/1314490294.db2.gz ZVDUVMFFTSXFSB-QGZVFWFLSA-N 1 3 340.471 2.893 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001052936213 1314495378 /nfs/dbraw/zinc/49/53/78/1314495378.db2.gz YQZATBROEOCKAT-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001052936213 1314495383 /nfs/dbraw/zinc/49/53/83/1314495383.db2.gz YQZATBROEOCKAT-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001019820359 1314514761 /nfs/dbraw/zinc/51/47/61/1314514761.db2.gz HFTZHHCWIKHORI-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001019815712 1314515486 /nfs/dbraw/zinc/51/54/86/1314515486.db2.gz LHUUYNHGRHCXGM-SFHVURJKSA-N 1 3 347.478 2.701 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052956044 1314515990 /nfs/dbraw/zinc/51/59/90/1314515990.db2.gz NZFALOSNCSASLF-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052956044 1314515994 /nfs/dbraw/zinc/51/59/94/1314515994.db2.gz NZFALOSNCSASLF-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958838 1314518952 /nfs/dbraw/zinc/51/89/52/1314518952.db2.gz PTMIYBSLHYTRPA-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)CC1 ZINC001052958838 1314518957 /nfs/dbraw/zinc/51/89/57/1314518957.db2.gz PTMIYBSLHYTRPA-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO O=C(/C=C\C1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052987099 1314543810 /nfs/dbraw/zinc/54/38/10/1314543810.db2.gz DOSQDKWKCBPLFB-XURGKKLVSA-N 1 3 343.515 2.502 20 0 EFADHO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC3CCC3)CC2)CC1 ZINC001052989798 1314546035 /nfs/dbraw/zinc/54/60/35/1314546035.db2.gz XLFDFBDZIRMAFW-KDURUIRLSA-N 1 3 345.531 2.726 20 0 EFADHO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC3CCC3)CC2)CC1 ZINC001052989798 1314546041 /nfs/dbraw/zinc/54/60/41/1314546041.db2.gz XLFDFBDZIRMAFW-KDURUIRLSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1C[C@@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052991180 1314546998 /nfs/dbraw/zinc/54/69/98/1314546998.db2.gz XFNKVYNTRIEBPT-MFHCWRBVSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982998 1314558954 /nfs/dbraw/zinc/55/89/54/1314558954.db2.gz KPULYEFZMQGKJF-BEKAIBRUSA-N 1 3 346.515 2.702 20 0 EFADHO O[C@@H](CNC[C@]12CCC[C@H]1C[NH2+]C2)COc1cccc2ccccc21 ZINC001245984079 1314559280 /nfs/dbraw/zinc/55/92/80/1314559280.db2.gz HOPGZGGOZDXNGE-BBTUJRGHSA-N 1 3 340.467 2.559 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CCCC[NH2+]C2)cc1 ZINC001245982069 1314559348 /nfs/dbraw/zinc/55/93/48/1314559348.db2.gz JUELXRXYOYRUNP-FUHWJXTLSA-N 1 3 334.504 2.703 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC001245985470 1314559876 /nfs/dbraw/zinc/55/98/76/1314559876.db2.gz LLZDOXOBPNLNJZ-BBTUJRGHSA-N 1 3 346.515 2.703 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCC1(c2ccc(Cl)cc2)CC1 ZINC001245990586 1314560608 /nfs/dbraw/zinc/56/06/08/1314560608.db2.gz ARVXPZQPEGTPMX-RBUKOAKNSA-N 1 3 344.886 2.892 20 0 EFADHO Cc1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)c(C)c1 ZINC001245989937 1314560864 /nfs/dbraw/zinc/56/08/64/1314560864.db2.gz ZWTPOCKAJPABNQ-VQTJNVASSA-N 1 3 348.437 2.645 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245993229 1314561453 /nfs/dbraw/zinc/56/14/53/1314561453.db2.gz NGBQGLTURKBSMN-IPMKNSEASA-N 1 3 328.541 2.950 20 0 EFADHO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)CC2 ZINC001245994543 1314561543 /nfs/dbraw/zinc/56/15/43/1314561543.db2.gz OPOYDKVYTUAMRU-SLFFLAALSA-N 1 3 346.421 2.781 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245995077 1314562671 /nfs/dbraw/zinc/56/26/71/1314562671.db2.gz SFXNHPGOCPRSCY-SUMDDJOVSA-N 1 3 334.504 2.702 20 0 EFADHO CC(C)(C[NH2+]C[C@@]1(O)CCCNC1)Cc1ccccc1C(F)(F)F ZINC001246003336 1314564230 /nfs/dbraw/zinc/56/42/30/1314564230.db2.gz DIQZSZQMBCSTGW-QGZVFWFLSA-N 1 3 344.421 2.978 20 0 EFADHO O[C@@]1(CNCC2(Cc3cccc(C(F)(F)F)c3)CCC2)CC[NH2+]C1 ZINC001246008482 1314564783 /nfs/dbraw/zinc/56/47/83/1314564783.db2.gz TYHMBRLPNFSRBY-KRWDZBQOSA-N 1 3 342.405 2.732 20 0 EFADHO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@]1(O)CCCNC1 ZINC001246009665 1314564791 /nfs/dbraw/zinc/56/47/91/1314564791.db2.gz YXQUZWDDSUUCOQ-INIZCTEOSA-N 1 3 330.394 2.731 20 0 EFADHO [NH3+][C@@H]1CCCN(C[C@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001246014445 1314566182 /nfs/dbraw/zinc/56/61/82/1314566182.db2.gz BQMYUBWIWQSVDP-OLZOCXBDSA-N 1 3 347.286 2.684 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001246015548 1314566213 /nfs/dbraw/zinc/56/62/13/1314566213.db2.gz PAUKKGAYOPIMMZ-QWHCGFSZSA-N 1 3 349.302 2.834 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN2CCC[C@](C)([NH3+])CC2)cc1 ZINC001246023755 1314567974 /nfs/dbraw/zinc/56/79/74/1314567974.db2.gz SRELZSIVPHYDEQ-XLIONFOSSA-N 1 3 334.504 2.927 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001246035391 1314570887 /nfs/dbraw/zinc/57/08/87/1314570887.db2.gz RNBFRXCLKUHKNF-FCHUYYIVSA-N 1 3 348.490 2.978 20 0 EFADHO CCCN(C[C@@H](O)COc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001246065892 1314578638 /nfs/dbraw/zinc/57/86/38/1314578638.db2.gz JXJUQHYMEGTJCL-PKOBYXMFSA-N 1 3 334.504 2.871 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C[C@]3(O)CCCNC3)C2)cc1 ZINC001246065109 1314578714 /nfs/dbraw/zinc/57/87/14/1314578714.db2.gz ODGSIWGPFBGTIO-PXNSSMCTSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@]3(O)CCCNC3)C2)cc1 ZINC001246065109 1314578719 /nfs/dbraw/zinc/57/87/19/1314578719.db2.gz ODGSIWGPFBGTIO-PXNSSMCTSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CCN(C[C@]3(O)CCC[NH2+]C3)C2)cc1 ZINC001246065109 1314578723 /nfs/dbraw/zinc/57/87/23/1314578723.db2.gz ODGSIWGPFBGTIO-PXNSSMCTSA-N 1 3 332.488 2.768 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001246100458 1314582631 /nfs/dbraw/zinc/58/26/31/1314582631.db2.gz DJEQTDMZCLMDIA-IUODEOHRSA-N 1 3 342.409 2.657 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246133892 1314587817 /nfs/dbraw/zinc/58/78/17/1314587817.db2.gz KNTPAPIBDSREKT-FFSVYQOJSA-N 1 3 329.271 2.750 20 0 EFADHO Clc1cc2c(cc1Cl)C[C@@H](NC[C@]13C[NH2+]C[C@H]1COC3)CC2 ZINC001246134849 1314587402 /nfs/dbraw/zinc/58/74/02/1314587402.db2.gz OHTRKQOPNURAQG-ZQIUZPCESA-N 1 3 341.282 2.676 20 0 EFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246135979 1314587489 /nfs/dbraw/zinc/58/74/89/1314587489.db2.gz UCFPZCGRDHRNHI-PEBVRCNWSA-N 1 3 344.833 2.765 20 0 EFADHO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246152776 1314589762 /nfs/dbraw/zinc/58/97/62/1314589762.db2.gz PUNBDBJQQISNBB-LZQZEXGQSA-N 1 3 336.426 2.570 20 0 EFADHO Clc1cccc2c1C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246152230 1314590010 /nfs/dbraw/zinc/59/00/10/1314590010.db2.gz PDWDNFNPIOLFQL-LZQZEXGQSA-N 1 3 334.891 2.946 20 0 EFADHO CCCC[C@H]1C[C@@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171880 1314593475 /nfs/dbraw/zinc/59/34/75/1314593475.db2.gz TZVNOIBVBGCQNN-OALUTQOASA-N 1 3 337.552 2.922 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027179 1314596202 /nfs/dbraw/zinc/59/62/02/1314596202.db2.gz AWIKJWCJVMYJBP-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027179 1314596206 /nfs/dbraw/zinc/59/62/06/1314596206.db2.gz AWIKJWCJVMYJBP-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CCNCC1(F)F ZINC001246223519 1314599614 /nfs/dbraw/zinc/59/96/14/1314599614.db2.gz WIVIQKGVVVCHOI-KZNAEPCWSA-N 1 3 337.458 2.574 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029637 1314602626 /nfs/dbraw/zinc/60/26/26/1314602626.db2.gz USIUDGRRISTDHZ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029637 1314602630 /nfs/dbraw/zinc/60/26/30/1314602630.db2.gz USIUDGRRISTDHZ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246286334 1314607043 /nfs/dbraw/zinc/60/70/43/1314607043.db2.gz KBLDZEDGGAVAGP-RBAQFSTRSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)(C)OC(=O)Cc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246321732 1314609810 /nfs/dbraw/zinc/60/98/10/1314609810.db2.gz FAEVCCJTADTEMN-DFNIBXOVSA-N 1 3 344.499 2.986 20 0 EFADHO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246334652 1314611691 /nfs/dbraw/zinc/61/16/91/1314611691.db2.gz OIEQYUNNQYUFMA-ZWKOTPCHSA-N 1 3 332.488 2.919 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246346946 1314614354 /nfs/dbraw/zinc/61/43/54/1314614354.db2.gz GPQMOIMRNIVEFD-VBNZEHGJSA-N 1 3 329.271 2.817 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCN[C@@H](C)C3)CC2)c1 ZINC001246359256 1314614666 /nfs/dbraw/zinc/61/46/66/1314614666.db2.gz MWLRYTBIIUVYTQ-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)c1 ZINC001246359803 1314614812 /nfs/dbraw/zinc/61/48/12/1314614812.db2.gz PGPRRPPDROFXJG-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC(N[C@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246359803 1314614815 /nfs/dbraw/zinc/61/48/15/1314614815.db2.gz PGPRRPPDROFXJG-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO C[NH2+]CC[C@@H](C)N[C@H]1CCN(Cc2ccccc2Br)C1 ZINC001246365546 1314615945 /nfs/dbraw/zinc/61/59/45/1314615945.db2.gz YSTYINWBMSLPNH-HIFRSBDPSA-N 1 3 340.309 2.611 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C)NC3)CC2)cc1F ZINC001246364167 1314616219 /nfs/dbraw/zinc/61/62/19/1314616219.db2.gz TZXSVQXNDRLQMZ-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC(N[C@H]3CC[C@H](C)[NH2+]C3)CC2)cc1F ZINC001246364167 1314616221 /nfs/dbraw/zinc/61/62/21/1314616221.db2.gz TZXSVQXNDRLQMZ-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@H](C)C3)CC2)cc1F ZINC001246360686 1314616306 /nfs/dbraw/zinc/61/63/06/1314616306.db2.gz HRRYZPVITQEFCR-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037800 1314616521 /nfs/dbraw/zinc/61/65/21/1314616521.db2.gz ATGFOPRJAHEJGC-ZWKOTPCHSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037800 1314616524 /nfs/dbraw/zinc/61/65/24/1314616524.db2.gz ATGFOPRJAHEJGC-ZWKOTPCHSA-N 1 3 344.503 2.869 20 0 EFADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246404290 1314624515 /nfs/dbraw/zinc/62/45/15/1314624515.db2.gz ILVQWKSTJZFDHC-NHYWBVRUSA-N 1 3 346.302 2.887 20 0 EFADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246404271 1314624580 /nfs/dbraw/zinc/62/45/80/1314624580.db2.gz ILVQWKSTJZFDHC-ABAIWWIYSA-N 1 3 346.302 2.887 20 0 EFADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2CCN[C@@H](C)C2)CC1 ZINC001246405683 1314625421 /nfs/dbraw/zinc/62/54/21/1314625421.db2.gz NGFVOMRPTXFISP-DOTOQJQBSA-N 1 3 341.503 2.755 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046032 1314629432 /nfs/dbraw/zinc/62/94/32/1314629432.db2.gz GXXTYETXUQROAZ-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046032 1314629438 /nfs/dbraw/zinc/62/94/38/1314629438.db2.gz GXXTYETXUQROAZ-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246488648 1314635950 /nfs/dbraw/zinc/63/59/50/1314635950.db2.gz NZMJHSLJRBBCCH-FGTMMUONSA-N 1 3 337.458 2.574 20 0 EFADHO COc1cccc2c1CC[C@H]([NH+]1CCC(C3=CC=C(N)CN3)CC1)C2 ZINC001246493362 1314637076 /nfs/dbraw/zinc/63/70/76/1314637076.db2.gz GMUYWQSWMYTGGQ-SFHVURJKSA-N 1 3 339.483 2.594 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3Cc4cccc(Cl)c4C3)CC2)NC1 ZINC001246492182 1314637125 /nfs/dbraw/zinc/63/71/25/1314637125.db2.gz BNLLRNNAMVHZFA-MRXNPFEDSA-N 1 3 329.875 2.849 20 0 EFADHO COc1cccc(C[C@@H](C)[NH+]2CCC(C3=CC=C(N)CN3)CC2)c1 ZINC001246497259 1314637568 /nfs/dbraw/zinc/63/75/68/1314637568.db2.gz XDWOIPLHCXTYQH-OAHLLOKOSA-N 1 3 327.472 2.668 20 0 EFADHO COc1ccccc1C[C@@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246494940 1314638105 /nfs/dbraw/zinc/63/81/05/1314638105.db2.gz MVXPPVYEKLHPBF-OAHLLOKOSA-N 1 3 327.472 2.668 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246505662 1314638495 /nfs/dbraw/zinc/63/84/95/1314638495.db2.gz FZEHJZIWINCQBG-TYNCELHUSA-N 1 3 339.277 2.730 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccc(Br)cc3C2)CCN1 ZINC001246505662 1314638498 /nfs/dbraw/zinc/63/84/98/1314638498.db2.gz FZEHJZIWINCQBG-TYNCELHUSA-N 1 3 339.277 2.730 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)N1CCCCC1 ZINC001020156526 1314640164 /nfs/dbraw/zinc/64/01/64/1314640164.db2.gz PJBOLRDLPZMJQS-UJWQCDCRSA-N 1 3 347.547 2.924 20 0 EFADHO [NH3+][C@@H]1CCCN(C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001246546891 1314645339 /nfs/dbraw/zinc/64/53/39/1314645339.db2.gz NTCCDPREMBKHIU-CYBMUJFWSA-N 1 3 342.409 2.882 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)N1CCCC[C@](O)(C[NH3+])C1 ZINC001246554933 1314647163 /nfs/dbraw/zinc/64/71/63/1314647163.db2.gz ADOKTEQXWQWGTF-CJNGLKHVSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246554933 1314647166 /nfs/dbraw/zinc/64/71/66/1314647166.db2.gz ADOKTEQXWQWGTF-CJNGLKHVSA-N 1 3 328.909 2.996 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246554933 1314647169 /nfs/dbraw/zinc/64/71/69/1314647169.db2.gz ADOKTEQXWQWGTF-CJNGLKHVSA-N 1 3 328.909 2.996 20 0 EFADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562610 1314648764 /nfs/dbraw/zinc/64/87/64/1314648764.db2.gz UPKOXBOUAWBTJV-TZIWHRDSSA-N 1 3 345.531 2.605 20 0 EFADHO CC1(C)C[C@H]([N@H+]2CCCC[C@@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562610 1314648768 /nfs/dbraw/zinc/64/87/68/1314648768.db2.gz UPKOXBOUAWBTJV-TZIWHRDSSA-N 1 3 345.531 2.605 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246609818 1314656389 /nfs/dbraw/zinc/65/63/89/1314656389.db2.gz NXLVQFAJAXJUMD-JXFKEZNVSA-N 1 3 330.472 2.870 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246610736 1314656783 /nfs/dbraw/zinc/65/67/83/1314656783.db2.gz RMBOMUAGFAUEGF-JYJNAYRXSA-N 1 3 333.442 2.915 20 0 EFADHO O=C1CC[C@H]([N@@H+]2CCC[C@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611690 1314657030 /nfs/dbraw/zinc/65/70/30/1314657030.db2.gz VBYLQIDWHQIEJN-FPOVZHCZSA-N 1 3 341.499 2.786 20 0 EFADHO O=C1CC[C@H]([N@H+]2CCC[C@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611690 1314657032 /nfs/dbraw/zinc/65/70/32/1314657032.db2.gz VBYLQIDWHQIEJN-FPOVZHCZSA-N 1 3 341.499 2.786 20 0 EFADHO C[C@H](CC(C)(C)SCc1ccco1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621684 1314657818 /nfs/dbraw/zinc/65/78/18/1314657818.db2.gz FUTRMBOPNJWFJR-BFYDXBDKSA-N 1 3 338.517 2.990 20 0 EFADHO Brc1ccc2c(c1)C[C@H](N1CC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246619285 1314658152 /nfs/dbraw/zinc/65/81/52/1314658152.db2.gz KGPIJJIIPKHEIQ-IAOVAPTHSA-N 1 3 335.289 2.990 20 0 EFADHO [NH3+]CC1(F)CCN([C@@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246627525 1314660673 /nfs/dbraw/zinc/66/06/73/1314660673.db2.gz MHPIOQJKDHUIHZ-CQSZACIVSA-N 1 3 327.241 2.679 20 0 EFADHO CCC[C@@H](CCc1ccccc1)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246651537 1314663974 /nfs/dbraw/zinc/66/39/74/1314663974.db2.gz MFSRLFKLVARAPY-PZJWPPBQSA-N 1 3 343.515 2.732 20 0 EFADHO CCOC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]2CCCC[C@@H]12 ZINC001246670352 1314668122 /nfs/dbraw/zinc/66/81/22/1314668122.db2.gz BJTGGIAUEYQJJC-NYLIBXOJSA-N 1 3 334.504 2.961 20 0 EFADHO CCOC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3)C[C@H]2CCCC[C@@H]12 ZINC001246670352 1314668124 /nfs/dbraw/zinc/66/81/24/1314668124.db2.gz BJTGGIAUEYQJJC-NYLIBXOJSA-N 1 3 334.504 2.961 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692070 1314671556 /nfs/dbraw/zinc/67/15/56/1314671556.db2.gz MVLZMIACAFPQKP-ATZDWAIDSA-N 1 3 334.435 2.760 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001246692070 1314671561 /nfs/dbraw/zinc/67/15/61/1314671561.db2.gz MVLZMIACAFPQKP-ATZDWAIDSA-N 1 3 334.435 2.760 20 0 EFADHO C[C@H]1C[C@@H](N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC[NH2+]1 ZINC001246695120 1314672484 /nfs/dbraw/zinc/67/24/84/1314672484.db2.gz LWRNMWGWQJHJGY-UMCUTINXSA-N 1 3 333.501 2.923 20 0 EFADHO CC[C@@H]1N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720361 1314675678 /nfs/dbraw/zinc/67/56/78/1314675678.db2.gz ITUSNSZSCRUMLS-SHDFEDOASA-N 1 3 345.531 2.915 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720290 1314675801 /nfs/dbraw/zinc/67/58/01/1314675801.db2.gz NFAZVGITGJSHEM-WBVHZDCISA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720290 1314675804 /nfs/dbraw/zinc/67/58/04/1314675804.db2.gz NFAZVGITGJSHEM-WBVHZDCISA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733843 1314676681 /nfs/dbraw/zinc/67/66/81/1314676681.db2.gz HCAIRPZBSZRAFT-RNQOJCNYSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733843 1314676686 /nfs/dbraw/zinc/67/66/86/1314676686.db2.gz HCAIRPZBSZRAFT-RNQOJCNYSA-N 1 3 329.488 2.841 20 0 EFADHO CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757780 1314677660 /nfs/dbraw/zinc/67/76/60/1314677660.db2.gz MTJOEMPTCNKCST-LHHMISFZSA-N 1 3 347.528 2.954 20 0 EFADHO CCCC[C@@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757780 1314677665 /nfs/dbraw/zinc/67/76/65/1314677665.db2.gz MTJOEMPTCNKCST-LHHMISFZSA-N 1 3 347.528 2.954 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)C[C@H](C)[NH2+]1 ZINC001246766414 1314678977 /nfs/dbraw/zinc/67/89/77/1314678977.db2.gz AQSBRSQTZLCTTQ-ALXJQNPVSA-N 1 3 345.535 2.650 20 0 EFADHO C[C@@H]1C[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806865 1314685901 /nfs/dbraw/zinc/68/59/01/1314685901.db2.gz OMUDFCNGPFNTCW-DAXOMENPSA-N 1 3 338.293 2.536 20 0 EFADHO COC(=O)[C@H]1C[C@H](N)C[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804519 1314685952 /nfs/dbraw/zinc/68/59/52/1314685952.db2.gz PZIGLSMTXKJJRO-YBXZHIRMSA-N 1 3 330.472 2.610 20 0 EFADHO COC(=O)[C@H]1C[C@H](N)C[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804519 1314685955 /nfs/dbraw/zinc/68/59/55/1314685955.db2.gz PZIGLSMTXKJJRO-YBXZHIRMSA-N 1 3 330.472 2.610 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246805499 1314685988 /nfs/dbraw/zinc/68/59/88/1314685988.db2.gz NTLGSOLCBDIFRN-KUDFPVQQSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805499 1314685993 /nfs/dbraw/zinc/68/59/93/1314685993.db2.gz NTLGSOLCBDIFRN-KUDFPVQQSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805499 1314685997 /nfs/dbraw/zinc/68/59/97/1314685997.db2.gz NTLGSOLCBDIFRN-KUDFPVQQSA-N 1 3 339.483 2.527 20 0 EFADHO COC(=O)[C@H]1CC[C@@H](C)N([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246813838 1314687562 /nfs/dbraw/zinc/68/75/62/1314687562.db2.gz QPBNWGLEUQGDPP-XGXHKWSGSA-N 1 3 330.472 2.623 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H](N3CCN[C@@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246828983 1314691318 /nfs/dbraw/zinc/69/13/18/1314691318.db2.gz UOMJKXGDPGEDRB-BHIFYINESA-N 1 3 335.495 2.996 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCNC2(CCC2)C1 ZINC001246890314 1314703902 /nfs/dbraw/zinc/70/39/02/1314703902.db2.gz ITHMJSOHDUUVOO-DLBZAZTESA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCNC2(CCC2)C1 ZINC001246890314 1314703907 /nfs/dbraw/zinc/70/39/07/1314703907.db2.gz ITHMJSOHDUUVOO-DLBZAZTESA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890314 1314703910 /nfs/dbraw/zinc/70/39/10/1314703910.db2.gz ITHMJSOHDUUVOO-DLBZAZTESA-N 1 3 340.508 2.731 20 0 EFADHO COC(=O)c1cccc2c1CN(C1CCC3(CC[NH2+]C3)CC1)CC2 ZINC001246902824 1314706363 /nfs/dbraw/zinc/70/63/63/1314706363.db2.gz WDSNKMXVZOEUFH-UHFFFAOYSA-N 1 3 328.456 2.754 20 0 EFADHO COC(=O)c1cccc2c1CN([C@@H]1CCC3(C1)CC[NH2+]CC3)CC2 ZINC001246902969 1314706939 /nfs/dbraw/zinc/70/69/39/1314706939.db2.gz WKKXVUVOUMMQEN-MRXNPFEDSA-N 1 3 328.456 2.754 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916376 1314707621 /nfs/dbraw/zinc/70/76/21/1314707621.db2.gz RPWPCEZMEOMXOV-IAGOWNOFSA-N 1 3 341.421 2.924 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916376 1314707624 /nfs/dbraw/zinc/70/76/24/1314707624.db2.gz RPWPCEZMEOMXOV-IAGOWNOFSA-N 1 3 341.421 2.924 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915280 1314708149 /nfs/dbraw/zinc/70/81/49/1314708149.db2.gz MBQFHXVGQDJBMB-IEBWSBKVSA-N 1 3 330.472 2.972 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915280 1314708152 /nfs/dbraw/zinc/70/81/52/1314708152.db2.gz MBQFHXVGQDJBMB-IEBWSBKVSA-N 1 3 330.472 2.972 20 0 EFADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@]12c1ccccc1OC2=O ZINC001246925078 1314708443 /nfs/dbraw/zinc/70/84/43/1314708443.db2.gz KYBFTSZBQDGHKD-LNDGSFSUSA-N 1 3 326.440 2.611 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939053 1314711070 /nfs/dbraw/zinc/71/10/70/1314711070.db2.gz SBGMATBQHJCFEB-KBMXLJTQSA-N 1 3 333.442 2.914 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939053 1314711071 /nfs/dbraw/zinc/71/10/71/1314711071.db2.gz SBGMATBQHJCFEB-KBMXLJTQSA-N 1 3 333.442 2.914 20 0 EFADHO c1ccc(C[C@H]2C[C@@H](N3CCN[C@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246944950 1314711989 /nfs/dbraw/zinc/71/19/89/1314711989.db2.gz UOMJKXGDPGEDRB-FKBYEOEOSA-N 1 3 335.495 2.996 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214611188 1314715849 /nfs/dbraw/zinc/71/58/49/1314715849.db2.gz SITLVXOEKYBATD-QRQLOZEOSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1C[C@@H](N2CCNC[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001246992390 1314726724 /nfs/dbraw/zinc/72/67/24/1314726724.db2.gz QUDHMHIXGXOGEB-PVAVHDDUSA-N 1 3 341.421 2.876 20 0 EFADHO C[C@@H]1C[C@@H](N2CCNC[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246992390 1314726727 /nfs/dbraw/zinc/72/67/27/1314726727.db2.gz QUDHMHIXGXOGEB-PVAVHDDUSA-N 1 3 341.421 2.876 20 0 EFADHO C[C@@H]1C[C@H](N2CCNC[C@@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001246992383 1314726819 /nfs/dbraw/zinc/72/68/19/1314726819.db2.gz QUDHMHIXGXOGEB-DJIMGWMZSA-N 1 3 341.421 2.876 20 0 EFADHO C[C@@H]1C[C@H](N2CCNC[C@@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246992383 1314726824 /nfs/dbraw/zinc/72/68/24/1314726824.db2.gz QUDHMHIXGXOGEB-DJIMGWMZSA-N 1 3 341.421 2.876 20 0 EFADHO C[NH2+]CCc1nc2cc(N3CCN(Cc4ccccc4)CC3)ccc2[nH]1 ZINC001247010983 1314730668 /nfs/dbraw/zinc/73/06/68/1314730668.db2.gz NJRQXQAQVURNEY-UHFFFAOYSA-N 1 3 349.482 2.647 20 0 EFADHO Fc1ccc2c(c1)nc(-c1ccc3n1CCNC3)n2C1CC[NH2+]CC1 ZINC001247031358 1314732982 /nfs/dbraw/zinc/73/29/82/1314732982.db2.gz XSHTVYLHUBMSQW-UHFFFAOYSA-N 1 3 339.418 2.672 20 0 EFADHO Cc1ccc2c(c1)nc(C[C@H]1COC(C)(C)N1)n2C1CC[NH2+]CC1 ZINC001247040835 1314733741 /nfs/dbraw/zinc/73/37/41/1314733741.db2.gz YFWFKLCKMPBBCS-AWEZNQCLSA-N 1 3 328.460 2.536 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001214952856 1314762394 /nfs/dbraw/zinc/76/23/94/1314762394.db2.gz PKIIRHSSUASUJU-MISYRCLQSA-N 1 3 345.531 2.704 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001214996688 1314766465 /nfs/dbraw/zinc/76/64/65/1314766465.db2.gz BEYHTIZCHAUKGB-CRAIPNDOSA-N 1 3 349.494 2.801 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499737 1314766564 /nfs/dbraw/zinc/76/65/64/1314766564.db2.gz FNTFQJKZSGUTFB-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499737 1314766569 /nfs/dbraw/zinc/76/65/69/1314766569.db2.gz FNTFQJKZSGUTFB-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001214997217 1314767205 /nfs/dbraw/zinc/76/72/05/1314767205.db2.gz FYAMEVIMVJOPSU-GVDBMIGSSA-N 1 3 325.541 2.835 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643527 1314774139 /nfs/dbraw/zinc/77/41/39/1314774139.db2.gz OJSQGGFYQRPWQI-YVSFHVDLSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643527 1314774144 /nfs/dbraw/zinc/77/41/44/1314774144.db2.gz OJSQGGFYQRPWQI-YVSFHVDLSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)CN(C)C ZINC000400973515 1314790842 /nfs/dbraw/zinc/79/08/42/1314790842.db2.gz QMSYMYRFKWEPMF-LTIDMASMSA-N 1 3 339.524 2.809 20 0 EFADHO C[NH+]1CCN(Cc2cccc(-c3noc([C@H](N)C(C)(C)C)n3)c2)CC1 ZINC001247507348 1314793981 /nfs/dbraw/zinc/79/39/81/1314793981.db2.gz KSZWGWCSQHDGOD-INIZCTEOSA-N 1 3 343.475 2.530 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001038274416 1314833034 /nfs/dbraw/zinc/83/30/34/1314833034.db2.gz YHPLXKXWCOVMDQ-HSALFYBXSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001038274416 1314833038 /nfs/dbraw/zinc/83/30/38/1314833038.db2.gz YHPLXKXWCOVMDQ-HSALFYBXSA-N 1 3 343.515 2.540 20 0 EFADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540662 1314847744 /nfs/dbraw/zinc/84/77/44/1314847744.db2.gz PKGPQMRRSARBIG-GPMSIDNRSA-N 1 3 341.515 2.826 20 0 EFADHO c1ccc(Oc2ccccc2-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247832823 1314849056 /nfs/dbraw/zinc/84/90/56/1314849056.db2.gz ZOCOSYUTRZTLLP-INIZCTEOSA-N 1 3 348.406 2.805 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001215551528 1314850513 /nfs/dbraw/zinc/85/05/13/1314850513.db2.gz UEZZUPNKCBOMDQ-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568910 1314852639 /nfs/dbraw/zinc/85/26/39/1314852639.db2.gz SGEYDIVRXFZQTE-NVXWUHKLSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215563716 1314852716 /nfs/dbraw/zinc/85/27/16/1314852716.db2.gz MMTHPRDQPGVCLG-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@]4(CO3)CCC[NH2+]C4)n2)cc1 ZINC001247922697 1314868517 /nfs/dbraw/zinc/86/85/17/1314868517.db2.gz UCVVIRBPUPHURZ-QFBILLFUSA-N 1 3 342.443 2.629 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001215774726 1314877380 /nfs/dbraw/zinc/87/73/80/1314877380.db2.gz WRRNFSSCIZNEBM-KURKYZTESA-N 1 3 341.515 2.826 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001215990034 1314898057 /nfs/dbraw/zinc/89/80/57/1314898057.db2.gz RFNZIYZNVYWNFD-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001215989952 1314898192 /nfs/dbraw/zinc/89/81/92/1314898192.db2.gz PEAFHNQJMUIPDO-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001215998764 1314898933 /nfs/dbraw/zinc/89/89/33/1314898933.db2.gz AMPRRZJCTFGSGB-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001215999322 1314899038 /nfs/dbraw/zinc/89/90/38/1314899038.db2.gz ZTAQXDPHVYNLJP-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001216001616 1314899902 /nfs/dbraw/zinc/89/99/02/1314899902.db2.gz GDABOPOKRBFTEO-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC(C)c1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406223 1314911055 /nfs/dbraw/zinc/91/10/55/1314911055.db2.gz BPAWESVDGLEWQJ-QUCCMNQESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406223 1314911058 /nfs/dbraw/zinc/91/10/58/1314911058.db2.gz BPAWESVDGLEWQJ-QUCCMNQESA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001216511015 1314964921 /nfs/dbraw/zinc/96/49/21/1314964921.db2.gz IPHYTOVMYZNHSA-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829498 1315013269 /nfs/dbraw/zinc/01/32/69/1315013269.db2.gz YWGOSEHFGFLVGT-GPMSIDNRSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843008 1315014274 /nfs/dbraw/zinc/01/42/74/1315014274.db2.gz RMNMBRMUDXPALR-RVKKMQEKSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]C/C=C\Cl ZINC001216842631 1315014298 /nfs/dbraw/zinc/01/42/98/1315014298.db2.gz IODYXQULFFJZFC-RBJPWVEASA-N 1 3 335.879 2.551 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000404880873 1315017350 /nfs/dbraw/zinc/01/73/50/1315017350.db2.gz BHKAIHLQFBPRBN-RBSFLKMASA-N 1 3 325.497 2.610 20 0 EFADHO C[NH+](C)Cc1ccccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001216875201 1315019149 /nfs/dbraw/zinc/01/91/49/1315019149.db2.gz CSXUUXZHAGUBPR-UHFFFAOYSA-N 1 3 335.411 2.506 20 0 EFADHO COc1ccc(Cn2cc(CN(C)CC3CC[NH+](C)CC3)cn2)cc1 ZINC001249339224 1315056173 /nfs/dbraw/zinc/05/61/73/1315056173.db2.gz GNSWEIUUIMWIFB-UHFFFAOYSA-N 1 3 342.487 2.714 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038670986 1315082893 /nfs/dbraw/zinc/08/28/93/1315082893.db2.gz OIPRTOLTWGDNLV-OALUTQOASA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038711809 1315114289 /nfs/dbraw/zinc/11/42/89/1315114289.db2.gz FETFPJRVPXSDIQ-IBGZPJMESA-N 1 3 331.504 2.641 20 0 EFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@@H]2C=CC[NH2+]C2)O1 ZINC001217882228 1315119101 /nfs/dbraw/zinc/11/91/01/1315119101.db2.gz JCQFMPIRDJBZRP-UYAOXDASSA-N 1 3 330.472 2.601 20 0 EFADHO c1ccc(CN2CCOC[C@H](OCCC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC001217894555 1315120116 /nfs/dbraw/zinc/12/01/16/1315120116.db2.gz GPRSDRDYSAJXQC-AZUAARDMSA-N 1 3 332.488 2.684 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC001217929524 1315122006 /nfs/dbraw/zinc/12/20/06/1315122006.db2.gz KPDZQBGGHAKYIO-ZSYWTGECSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC001217929524 1315122009 /nfs/dbraw/zinc/12/20/09/1315122009.db2.gz KPDZQBGGHAKYIO-ZSYWTGECSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC001217929521 1315122087 /nfs/dbraw/zinc/12/20/87/1315122087.db2.gz KPDZQBGGHAKYIO-AKHDSKFASA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC001217929521 1315122100 /nfs/dbraw/zinc/12/21/00/1315122100.db2.gz KPDZQBGGHAKYIO-AKHDSKFASA-N 1 3 330.472 2.638 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC001276767525 1315136877 /nfs/dbraw/zinc/13/68/77/1315136877.db2.gz FAIAUADDSIHMTD-OAQYLSRUSA-N 1 3 343.515 2.566 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc3c(c1)COC3)C2 ZINC001276767525 1315136883 /nfs/dbraw/zinc/13/68/83/1315136883.db2.gz FAIAUADDSIHMTD-OAQYLSRUSA-N 1 3 343.515 2.566 20 0 EFADHO F[C@@H]1CNCC[C@@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218067129 1315142387 /nfs/dbraw/zinc/14/23/87/1315142387.db2.gz RBCGAVDASCMQNQ-AEFFLSMTSA-N 1 3 344.434 2.553 20 0 EFADHO C[NH+](C)CCN1CC[C@H]2CN(Cc3ncc(Cl)s3)C[C@H]2CC1 ZINC001276775003 1315158192 /nfs/dbraw/zinc/15/81/92/1315158192.db2.gz CSCNKITYLWWMPT-OKILXGFUSA-N 1 3 342.940 2.502 20 0 EFADHO CC(C)n1cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276776634 1315166459 /nfs/dbraw/zinc/16/64/59/1315166459.db2.gz UAXHRLYYMFZBOZ-UHFFFAOYSA-N 1 3 342.491 2.675 20 0 EFADHO CC(C)n1cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276776634 1315166462 /nfs/dbraw/zinc/16/64/62/1315166462.db2.gz UAXHRLYYMFZBOZ-UHFFFAOYSA-N 1 3 342.491 2.675 20 0 EFADHO Cc1ccc2nc(CN3CC4(C3)CCN(CC[NH+](C)C)C4)ccc2c1 ZINC001276785114 1315194229 /nfs/dbraw/zinc/19/42/29/1315194229.db2.gz VVQNGCGYNLGQSG-UHFFFAOYSA-N 1 3 338.499 2.613 20 0 EFADHO CN(C)c1ccncc1NC(=O)C[C@@H]([NH3+])CSc1ccccc1 ZINC001218562893 1315215538 /nfs/dbraw/zinc/21/55/38/1315215538.db2.gz GCSMSBJCDWDKGW-CYBMUJFWSA-N 1 3 330.457 2.596 20 0 EFADHO CN1CCN(c2ccc3[nH]c(C4(C[NH+](C)C)CCCC4)nc3c2)CC1 ZINC001250569013 1315225691 /nfs/dbraw/zinc/22/56/91/1315225691.db2.gz JDRXRNWLZUBUPR-UHFFFAOYSA-N 1 3 341.503 2.688 20 0 EFADHO [NH3+][C@@H](CSc1ccccc1)CC(=O)Nc1cc([C@H]2CCCN2)no1 ZINC001218713547 1315233756 /nfs/dbraw/zinc/23/37/56/1315233756.db2.gz SJJQHRKJAUMWMW-TZMCWYRMSA-N 1 3 346.456 2.547 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001218714632 1315234734 /nfs/dbraw/zinc/23/47/34/1315234734.db2.gz ZXUJCKOZDHVALD-AWEZNQCLSA-N 1 3 332.448 2.598 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1 ZINC001218816620 1315245352 /nfs/dbraw/zinc/24/53/52/1315245352.db2.gz SJPCBVSCPIXYFU-ZDUSSCGKSA-N 1 3 329.366 2.675 20 0 EFADHO N[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC001218829651 1315247451 /nfs/dbraw/zinc/24/74/51/1315247451.db2.gz CPELCUQBXKRCIB-GFCCVEGCSA-N 1 3 335.757 2.624 20 0 EFADHO CCCCCCOc1ccc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218852397 1315250918 /nfs/dbraw/zinc/25/09/18/1315250918.db2.gz BHFNFLRQJVEIJK-SFHVURJKSA-N 1 3 333.476 2.911 20 0 EFADHO CC(C)(C[NH3+])c1ccc(NC(=O)[C@@](C)(N)Cc2ccc(F)cc2)cc1 ZINC001218895644 1315255869 /nfs/dbraw/zinc/25/58/69/1315255869.db2.gz RIRWWOQGDFXBIS-FQEVSTJZSA-N 1 3 343.446 2.961 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc3ccccc3[nH]1)CC2 ZINC001276798231 1315256015 /nfs/dbraw/zinc/25/60/15/1315256015.db2.gz PWRVOOYNJIJPKR-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H]2Cc3ccccc3CN2)cc1 ZINC001218897190 1315256451 /nfs/dbraw/zinc/25/64/51/1315256451.db2.gz DKJLIRNKHPRDEZ-IBGZPJMESA-N 1 3 337.467 2.966 20 0 EFADHO CN[C@H](C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1)[C@@H](C)OC(C)(C)C ZINC001218897877 1315256909 /nfs/dbraw/zinc/25/69/09/1315256909.db2.gz JWRQTXBDIGYTAV-CJNGLKHVSA-N 1 3 335.492 2.653 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001250763639 1315260549 /nfs/dbraw/zinc/26/05/49/1315260549.db2.gz MTMWKSKTSLIXSJ-SFHVURJKSA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001250763615 1315260576 /nfs/dbraw/zinc/26/05/76/1315260576.db2.gz MNGABCSDMBSFHJ-ICSRJNTNSA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(CCN(C)C3)C2)cc1 ZINC001250763615 1315260580 /nfs/dbraw/zinc/26/05/80/1315260580.db2.gz MNGABCSDMBSFHJ-ICSRJNTNSA-N 1 3 332.488 2.577 20 0 EFADHO N[C@H](C(=O)Nc1ccc(C2([NH3+])CCC2)cc1)C1Cc2ccccc2C1 ZINC001218973337 1315266845 /nfs/dbraw/zinc/26/68/45/1315266845.db2.gz YJYZUHOKAVZSKL-IBGZPJMESA-N 1 3 335.451 2.705 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2cccc(F)c2)CC1 ZINC001250813424 1315270495 /nfs/dbraw/zinc/27/04/95/1315270495.db2.gz SVNSNLJZUCGAKH-GOSISDBHSA-N 1 3 338.467 2.762 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2cccc(F)c2)CC1 ZINC001250813424 1315270500 /nfs/dbraw/zinc/27/05/00/1315270500.db2.gz SVNSNLJZUCGAKH-GOSISDBHSA-N 1 3 338.467 2.762 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)Nc1cccc2ccc(-c3ccccc3)nc21 ZINC001219220851 1315292538 /nfs/dbraw/zinc/29/25/38/1315292538.db2.gz OCNYFGUWQNGWFH-MRXNPFEDSA-N 1 3 334.423 2.907 20 0 EFADHO Cc1ccc(C)c([C@@H](C)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038919328 1315295948 /nfs/dbraw/zinc/29/59/48/1315295948.db2.gz IRAJSFBKJYHUAX-MSOLQXFVSA-N 1 3 341.499 2.651 20 0 EFADHO Cc1ccc(C)c([C@H](C)N2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038919332 1315296448 /nfs/dbraw/zinc/29/64/48/1315296448.db2.gz IRAJSFBKJYHUAX-ROUUACIJSA-N 1 3 341.499 2.651 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001038926139 1315302981 /nfs/dbraw/zinc/30/29/81/1315302981.db2.gz NVSFTRLITBKHLV-SFHVURJKSA-N 1 3 333.520 2.633 20 0 EFADHO O[C@H](CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1)C(F)(F)F ZINC001250978069 1315306089 /nfs/dbraw/zinc/30/60/89/1315306089.db2.gz PFZJLYUEYUUFER-YESZJQIVSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1)C(F)(F)F ZINC001250978069 1315306094 /nfs/dbraw/zinc/30/60/94/1315306094.db2.gz PFZJLYUEYUUFER-YESZJQIVSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC001251000989 1315309160 /nfs/dbraw/zinc/30/91/60/1315309160.db2.gz BXFRRFRNSIQTQU-VNQPRFMTSA-N 1 3 330.394 2.657 20 0 EFADHO N[C@@H](C(=O)Nc1ccccc1-c1ccc(Cl)cn1)C1CC[NH2+]CC1 ZINC001219400527 1315310006 /nfs/dbraw/zinc/31/00/06/1315310006.db2.gz QVFNFELUVTYVQH-QGZVFWFLSA-N 1 3 344.846 2.667 20 0 EFADHO COc1ccc2ccc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2n1 ZINC001219406757 1315311085 /nfs/dbraw/zinc/31/10/85/1315311085.db2.gz GZHZIBLBVHMZEV-INIZCTEOSA-N 1 3 344.459 2.678 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2c[nH]nc2c1Cl ZINC001219441658 1315314630 /nfs/dbraw/zinc/31/46/30/1315314630.db2.gz MSKLKXIMVNODCS-LBPRGKRZSA-N 1 3 337.855 2.650 20 0 EFADHO CC[C@H](C)[C@@H]([NH2+]C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668837 1315334761 /nfs/dbraw/zinc/33/47/61/1315334761.db2.gz AYJNPQLUVHNIBS-FXAWDEMLSA-N 1 3 345.531 2.691 20 0 EFADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219705037 1315340557 /nfs/dbraw/zinc/34/05/57/1315340557.db2.gz CBQHPYJJQYHUST-LEWJYISDSA-N 1 3 349.478 2.832 20 0 EFADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219705040 1315340575 /nfs/dbraw/zinc/34/05/75/1315340575.db2.gz CBQHPYJJQYHUST-SFTDATJTSA-N 1 3 349.478 2.832 20 0 EFADHO Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219711775 1315341385 /nfs/dbraw/zinc/34/13/85/1315341385.db2.gz HSRYIZSIKPATHT-HKUYNNGSSA-N 1 3 349.519 2.683 20 0 EFADHO Cc1ccc(CCCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)s1 ZINC001219718026 1315342138 /nfs/dbraw/zinc/34/21/38/1315342138.db2.gz CQRYBLLDGGOCBZ-INIZCTEOSA-N 1 3 325.522 2.601 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054140130 1315353953 /nfs/dbraw/zinc/35/39/53/1315353953.db2.gz ACIXEWXBNFKILX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054140130 1315353956 /nfs/dbraw/zinc/35/39/56/1315353956.db2.gz ACIXEWXBNFKILX-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC(=N)C12CC3CC(CC(C3)C1)C2 ZINC001219920735 1315356356 /nfs/dbraw/zinc/35/63/56/1315356356.db2.gz JYHYGIGZTFSAKR-FAKMSMKASA-N 1 3 348.535 2.792 20 0 EFADHO O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219950072 1315359645 /nfs/dbraw/zinc/35/96/45/1315359645.db2.gz GXUXKSQHXQVIHU-CTWPCTMYSA-N 1 3 341.499 2.703 20 0 EFADHO O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219950072 1315359649 /nfs/dbraw/zinc/35/96/49/1315359649.db2.gz GXUXKSQHXQVIHU-CTWPCTMYSA-N 1 3 341.499 2.703 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144707 1315362496 /nfs/dbraw/zinc/36/24/96/1315362496.db2.gz CDNKMIFCMFTQTA-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054144707 1315362499 /nfs/dbraw/zinc/36/24/99/1315362499.db2.gz CDNKMIFCMFTQTA-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC001219998765 1315363964 /nfs/dbraw/zinc/36/39/64/1315363964.db2.gz BAPCXJRUBJMVBK-MOPGFXCFSA-N 1 3 329.488 2.847 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145147 1315364334 /nfs/dbraw/zinc/36/43/34/1315364334.db2.gz LDENUBNXTMEDHA-FQEVSTJZSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145147 1315364339 /nfs/dbraw/zinc/36/43/39/1315364339.db2.gz LDENUBNXTMEDHA-FQEVSTJZSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145120 1315364660 /nfs/dbraw/zinc/36/46/60/1315364660.db2.gz KZIXUQXNAIELLE-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145120 1315364663 /nfs/dbraw/zinc/36/46/63/1315364663.db2.gz KZIXUQXNAIELLE-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO CC1(C)C[NH2+][C@](C)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001219999427 1315365194 /nfs/dbraw/zinc/36/51/94/1315365194.db2.gz SYUKTEFWRLCKOQ-PXNSSMCTSA-N 1 3 329.488 2.718 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145682 1315365549 /nfs/dbraw/zinc/36/55/49/1315365549.db2.gz WAACWEUYHRXXGU-ICSRJNTNSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145682 1315365552 /nfs/dbraw/zinc/36/55/52/1315365552.db2.gz WAACWEUYHRXXGU-ICSRJNTNSA-N 1 3 333.520 2.607 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1c2ccccc2-c2ccccc21 ZINC001220067736 1315369703 /nfs/dbraw/zinc/36/97/03/1315369703.db2.gz TUEMTEBCMHQOKL-IBGZPJMESA-N 1 3 337.467 2.932 20 0 EFADHO CC[C@@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001251769225 1315376873 /nfs/dbraw/zinc/37/68/73/1315376873.db2.gz PJMJJINUEUQQQW-RBUKOAKNSA-N 1 3 332.488 2.513 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220251963 1315390162 /nfs/dbraw/zinc/39/01/62/1315390162.db2.gz KTAXIHRLLWJIBL-IUODEOHRSA-N 1 3 344.286 2.984 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220251963 1315390165 /nfs/dbraw/zinc/39/01/65/1315390165.db2.gz KTAXIHRLLWJIBL-IUODEOHRSA-N 1 3 344.286 2.984 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C3CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001220289011 1315395674 /nfs/dbraw/zinc/39/56/74/1315395674.db2.gz OYNTUPGRRFKUER-ZACQAIPSSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289011 1315395675 /nfs/dbraw/zinc/39/56/75/1315395675.db2.gz OYNTUPGRRFKUER-ZACQAIPSSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289011 1315395677 /nfs/dbraw/zinc/39/56/77/1315395677.db2.gz OYNTUPGRRFKUER-ZACQAIPSSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001220289010 1315396257 /nfs/dbraw/zinc/39/62/57/1315396257.db2.gz OYNTUPGRRFKUER-IXDOHACOSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289010 1315396259 /nfs/dbraw/zinc/39/62/59/1315396259.db2.gz OYNTUPGRRFKUER-IXDOHACOSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289010 1315396263 /nfs/dbraw/zinc/39/62/63/1315396263.db2.gz OYNTUPGRRFKUER-IXDOHACOSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc12 ZINC001220339043 1315400913 /nfs/dbraw/zinc/40/09/13/1315400913.db2.gz RNMDHJBXMYJRFU-IBGZPJMESA-N 1 3 327.472 2.824 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001054176381 1315413982 /nfs/dbraw/zinc/41/39/82/1315413982.db2.gz FSTCUJSBOYWWCT-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001054176381 1315413983 /nfs/dbraw/zinc/41/39/83/1315413983.db2.gz FSTCUJSBOYWWCT-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(C)c1 ZINC001220509076 1315422839 /nfs/dbraw/zinc/42/28/39/1315422839.db2.gz JTGWNWIPLZOBDR-SFHVURJKSA-N 1 3 345.531 2.941 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039050440 1315424157 /nfs/dbraw/zinc/42/41/57/1315424157.db2.gz ORVYSUAPABYRDM-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039050440 1315424159 /nfs/dbraw/zinc/42/41/59/1315424159.db2.gz ORVYSUAPABYRDM-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO O[C@@H](COCc1ccccc1)C[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252282603 1315427672 /nfs/dbraw/zinc/42/76/72/1315427672.db2.gz QMIGJLQUOLBMHB-LEWJYISDSA-N 1 3 346.515 2.905 20 0 EFADHO O[C@@H](COCc1ccccc1)C[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001252282603 1315427676 /nfs/dbraw/zinc/42/76/76/1315427676.db2.gz QMIGJLQUOLBMHB-LEWJYISDSA-N 1 3 346.515 2.905 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC001252284707 1315428301 /nfs/dbraw/zinc/42/83/01/1315428301.db2.gz CJWMKNMTLGMMEF-ACRUOGEOSA-N 1 3 346.515 2.903 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC001252284707 1315428304 /nfs/dbraw/zinc/42/83/04/1315428304.db2.gz CJWMKNMTLGMMEF-ACRUOGEOSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC001252284707 1315428307 /nfs/dbraw/zinc/42/83/07/1315428307.db2.gz CJWMKNMTLGMMEF-ACRUOGEOSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1C[C@H](O)COCc1ccccc1 ZINC001252284707 1315428310 /nfs/dbraw/zinc/42/83/10/1315428310.db2.gz CJWMKNMTLGMMEF-ACRUOGEOSA-N 1 3 346.515 2.903 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CCN(C/C=C/Cl)C2)C1)[NH+](C)C ZINC001054191499 1315432468 /nfs/dbraw/zinc/43/24/68/1315432468.db2.gz HJAKJFDVQZFOHB-OTTBVJJXSA-N 1 3 341.927 2.640 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001054196457 1315439787 /nfs/dbraw/zinc/43/97/87/1315439787.db2.gz HOXKBPOAAXPJLU-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001054196457 1315439790 /nfs/dbraw/zinc/43/97/90/1315439790.db2.gz HOXKBPOAAXPJLU-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001054196456 1315440160 /nfs/dbraw/zinc/44/01/60/1315440160.db2.gz HOXKBPOAAXPJLU-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001054196456 1315440164 /nfs/dbraw/zinc/44/01/64/1315440164.db2.gz HOXKBPOAAXPJLU-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196425 1315440593 /nfs/dbraw/zinc/44/05/93/1315440593.db2.gz HCIPUOCOVPRDEL-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196425 1315440597 /nfs/dbraw/zinc/44/05/97/1315440597.db2.gz HCIPUOCOVPRDEL-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO C[NH+]1CCC2(CN(C[C@@H](O)COc3cccc4ccccc43)C2)CC1 ZINC001252386739 1315443978 /nfs/dbraw/zinc/44/39/78/1315443978.db2.gz QNCPCKPITMEQGF-GOSISDBHSA-N 1 3 340.467 2.607 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198246 1315444289 /nfs/dbraw/zinc/44/42/89/1315444289.db2.gz SXNHNSBQKKAACJ-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198246 1315444291 /nfs/dbraw/zinc/44/42/91/1315444291.db2.gz SXNHNSBQKKAACJ-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc3ccccc32)C1 ZINC001252393942 1315444493 /nfs/dbraw/zinc/44/44/93/1315444493.db2.gz HJWBXFWPGDCRIA-FUHWJXTLSA-N 1 3 328.456 2.511 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc3ccccc32)C1 ZINC001252393942 1315444497 /nfs/dbraw/zinc/44/44/97/1315444497.db2.gz HJWBXFWPGDCRIA-FUHWJXTLSA-N 1 3 328.456 2.511 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252395219 1315445150 /nfs/dbraw/zinc/44/51/50/1315445150.db2.gz YVPNCUYDWAVNCS-SFHVURJKSA-N 1 3 328.456 2.653 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054199362 1315445925 /nfs/dbraw/zinc/44/59/25/1315445925.db2.gz URFCWXHXOMKJFX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054199362 1315445928 /nfs/dbraw/zinc/44/59/28/1315445928.db2.gz URFCWXHXOMKJFX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc2ccccc21 ZINC001252405113 1315448342 /nfs/dbraw/zinc/44/83/42/1315448342.db2.gz BMGAPRHOAAAAPU-SZVBFZGTSA-N 1 3 328.456 2.509 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc2ccccc21 ZINC001252405113 1315448347 /nfs/dbraw/zinc/44/83/47/1315448347.db2.gz BMGAPRHOAAAAPU-SZVBFZGTSA-N 1 3 328.456 2.509 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001054205176 1315453998 /nfs/dbraw/zinc/45/39/98/1315453998.db2.gz MBLDCKYWULRIBK-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001054205176 1315454001 /nfs/dbraw/zinc/45/40/01/1315454001.db2.gz MBLDCKYWULRIBK-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(N[C@@H]1CCC[NH2+]C1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001220885042 1315460126 /nfs/dbraw/zinc/46/01/26/1315460126.db2.gz WOPSFDZOHWVEGY-HXUWFJFHSA-N 1 3 349.478 2.576 20 0 EFADHO CCCCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252526017 1315463191 /nfs/dbraw/zinc/46/31/91/1315463191.db2.gz GWYACMJJEOAJFR-WOZUAGRISA-N 1 3 346.515 2.949 20 0 EFADHO CCCCOC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252526017 1315463194 /nfs/dbraw/zinc/46/31/94/1315463194.db2.gz GWYACMJJEOAJFR-WOZUAGRISA-N 1 3 346.515 2.949 20 0 EFADHO N[C@H](C(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1)C1CCCCC1 ZINC001221004061 1315471023 /nfs/dbraw/zinc/47/10/23/1315471023.db2.gz KMOYFOKYBBGILP-FHWLQOOXSA-N 1 3 344.503 2.588 20 0 EFADHO CN(CC(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C1CCCC1 ZINC001221033580 1315474501 /nfs/dbraw/zinc/47/45/01/1315474501.db2.gz HRQRKBXFDDLNHS-HXUWFJFHSA-N 1 3 347.478 2.857 20 0 EFADHO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680642 1315485800 /nfs/dbraw/zinc/48/58/00/1315485800.db2.gz DONVHTNGFLUQEV-SFTDATJTSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)OC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680642 1315485801 /nfs/dbraw/zinc/48/58/01/1315485801.db2.gz DONVHTNGFLUQEV-SFTDATJTSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188626 1315490123 /nfs/dbraw/zinc/49/01/23/1315490123.db2.gz ZSCLUVWKSAPQRN-AJNGGQMLSA-N 1 3 349.441 2.671 20 0 EFADHO C[N@@H+]1CCC[C@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762462 1315502281 /nfs/dbraw/zinc/50/22/81/1315502281.db2.gz HRNOUUPGMFWVKQ-ZWKOTPCHSA-N 1 3 334.504 2.798 20 0 EFADHO C[N@H+]1CCC[C@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762462 1315502283 /nfs/dbraw/zinc/50/22/83/1315502283.db2.gz HRNOUUPGMFWVKQ-ZWKOTPCHSA-N 1 3 334.504 2.798 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252765144 1315503440 /nfs/dbraw/zinc/50/34/40/1315503440.db2.gz OSLUHYZEMOVLQT-ROUUACIJSA-N 1 3 334.504 2.798 20 0 EFADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001221331859 1315512124 /nfs/dbraw/zinc/51/21/24/1315512124.db2.gz GDMLPGBPGMXJQF-PWRODBHTSA-N 1 3 349.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054244334 1315514070 /nfs/dbraw/zinc/51/40/70/1315514070.db2.gz CTOUFUDGCBOHFW-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054244334 1315514072 /nfs/dbraw/zinc/51/40/72/1315514072.db2.gz CTOUFUDGCBOHFW-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054244336 1315514170 /nfs/dbraw/zinc/51/41/70/1315514170.db2.gz CTOUFUDGCBOHFW-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054244336 1315514172 /nfs/dbraw/zinc/51/41/72/1315514172.db2.gz CTOUFUDGCBOHFW-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1F)c1ccccc1 ZINC001221367972 1315515577 /nfs/dbraw/zinc/51/55/77/1315515577.db2.gz VECLXTLKNOYIJU-KZNAEPCWSA-N 1 3 335.467 2.666 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245695 1315517592 /nfs/dbraw/zinc/51/75/92/1315517592.db2.gz ZCJGQOHKQBHULZ-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245695 1315517595 /nfs/dbraw/zinc/51/75/95/1315517595.db2.gz ZCJGQOHKQBHULZ-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134312 1315518201 /nfs/dbraw/zinc/51/82/01/1315518201.db2.gz OZDZNIPGNBBTTJ-VQTJNVASSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134312 1315518205 /nfs/dbraw/zinc/51/82/05/1315518205.db2.gz OZDZNIPGNBBTTJ-VQTJNVASSA-N 1 3 347.547 2.853 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC001252865590 1315518346 /nfs/dbraw/zinc/51/83/46/1315518346.db2.gz LMOQIYZTUURCFQ-FQEVSTJZSA-N 1 3 343.446 2.756 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001039133962 1315518842 /nfs/dbraw/zinc/51/88/42/1315518842.db2.gz MWRMTGCJNKXLPB-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001039133962 1315518847 /nfs/dbraw/zinc/51/88/47/1315518847.db2.gz MWRMTGCJNKXLPB-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC(C)(C)c1cc(Cl)ccn1 ZINC001221394093 1315519304 /nfs/dbraw/zinc/51/93/04/1315519304.db2.gz VFIZLYRDYKVOGX-AWEZNQCLSA-N 1 3 340.899 2.582 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134812 1315519741 /nfs/dbraw/zinc/51/97/41/1315519741.db2.gz VPRXDBXOHSFZNE-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134812 1315519746 /nfs/dbraw/zinc/51/97/46/1315519746.db2.gz VPRXDBXOHSFZNE-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039135617 1315520290 /nfs/dbraw/zinc/52/02/90/1315520290.db2.gz HGNFIHBIALJFJM-APDXYKNESA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1)N(C)C ZINC001039135617 1315520292 /nfs/dbraw/zinc/52/02/92/1315520292.db2.gz HGNFIHBIALJFJM-APDXYKNESA-N 1 3 341.927 2.640 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CC[N@H+](CC4CCC4)C3)CC2)CCC1 ZINC001039137743 1315523971 /nfs/dbraw/zinc/52/39/71/1315523971.db2.gz QUANDHPSGSJARP-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CC[N@@H+](CC4CCC4)C3)CC2)CCC1 ZINC001039137743 1315523974 /nfs/dbraw/zinc/52/39/74/1315523974.db2.gz QUANDHPSGSJARP-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537881 1315548322 /nfs/dbraw/zinc/54/83/22/1315548322.db2.gz OBIVZQWSBKTBDV-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537881 1315548326 /nfs/dbraw/zinc/54/83/26/1315548326.db2.gz OBIVZQWSBKTBDV-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039153500 1315548487 /nfs/dbraw/zinc/54/84/87/1315548487.db2.gz AETDCSVPOKCVGV-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039153500 1315548490 /nfs/dbraw/zinc/54/84/90/1315548490.db2.gz AETDCSVPOKCVGV-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039154494 1315549536 /nfs/dbraw/zinc/54/95/36/1315549536.db2.gz ZQSFIUPDJWSICL-RBUKOAKNSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039154494 1315549539 /nfs/dbraw/zinc/54/95/39/1315549539.db2.gz ZQSFIUPDJWSICL-RBUKOAKNSA-N 1 3 335.536 2.543 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN1CC2(C1)CC[NH+](C)CC2 ZINC001253010406 1315552368 /nfs/dbraw/zinc/55/23/68/1315552368.db2.gz SHJUFGHGMALMAG-QZTJIDSGSA-N 1 3 326.525 2.608 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN1CC2(C1)CC[NH+](C)CC2 ZINC001253010408 1315552551 /nfs/dbraw/zinc/55/25/51/1315552551.db2.gz SHJUFGHGMALMAG-ZWKOTPCHSA-N 1 3 326.525 2.608 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253020713 1315555169 /nfs/dbraw/zinc/55/51/69/1315555169.db2.gz VAOVPZSAAVGMOF-UJWQCDCRSA-N 1 3 326.525 2.795 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253020713 1315555173 /nfs/dbraw/zinc/55/51/73/1315555173.db2.gz VAOVPZSAAVGMOF-UJWQCDCRSA-N 1 3 326.525 2.795 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039159213 1315556220 /nfs/dbraw/zinc/55/62/20/1315556220.db2.gz HGNFIHBIALJFJM-ZTXDWSKGSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039159213 1315556223 /nfs/dbraw/zinc/55/62/23/1315556223.db2.gz HGNFIHBIALJFJM-ZTXDWSKGSA-N 1 3 341.927 2.640 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594729 1315558596 /nfs/dbraw/zinc/55/85/96/1315558596.db2.gz ARXBWRBOGODQAE-UWCDRFHNSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594729 1315558601 /nfs/dbraw/zinc/55/86/01/1315558601.db2.gz ARXBWRBOGODQAE-UWCDRFHNSA-N 1 3 333.520 2.750 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039164305 1315563258 /nfs/dbraw/zinc/56/32/58/1315563258.db2.gz IPUXRHUKZKYWBV-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039164305 1315563261 /nfs/dbraw/zinc/56/32/61/1315563261.db2.gz IPUXRHUKZKYWBV-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165769 1315565459 /nfs/dbraw/zinc/56/54/59/1315565459.db2.gz SJWOKOAQTAGRMO-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039165769 1315565461 /nfs/dbraw/zinc/56/54/61/1315565461.db2.gz SJWOKOAQTAGRMO-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CC4CCC4)C3)CC2)C1 ZINC001039166120 1315565481 /nfs/dbraw/zinc/56/54/81/1315565481.db2.gz VQRSKRLMKMOFJF-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CC4CCC4)C3)CC2)C1 ZINC001039166120 1315565486 /nfs/dbraw/zinc/56/54/86/1315565486.db2.gz VQRSKRLMKMOFJF-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001039165441 1315565569 /nfs/dbraw/zinc/56/55/69/1315565569.db2.gz QGJILWKDQUAOKL-LJQANCHMSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC001039165441 1315565575 /nfs/dbraw/zinc/56/55/75/1315565575.db2.gz QGJILWKDQUAOKL-LJQANCHMSA-N 1 3 347.547 2.689 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001221657340 1315572186 /nfs/dbraw/zinc/57/21/86/1315572186.db2.gz RSCXIKIRQOLWRJ-IAGOWNOFSA-N 1 3 335.536 2.686 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001221657340 1315572183 /nfs/dbraw/zinc/57/21/83/1315572183.db2.gz RSCXIKIRQOLWRJ-IAGOWNOFSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054736091 1315572738 /nfs/dbraw/zinc/57/27/38/1315572738.db2.gz LAKVNRWEEVKJMW-YJBOKZPZSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001054735739 1315573055 /nfs/dbraw/zinc/57/30/55/1315573055.db2.gz HLDNALQAXSOVQM-KSSFIOAISA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039179470 1315585953 /nfs/dbraw/zinc/58/59/53/1315585953.db2.gz AETDCSVPOKCVGV-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039179470 1315585954 /nfs/dbraw/zinc/58/59/54/1315585954.db2.gz AETDCSVPOKCVGV-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179765 1315586358 /nfs/dbraw/zinc/58/63/58/1315586358.db2.gz FLFCYXSIIHPTKL-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179765 1315586361 /nfs/dbraw/zinc/58/63/61/1315586361.db2.gz FLFCYXSIIHPTKL-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039181960 1315589018 /nfs/dbraw/zinc/58/90/18/1315589018.db2.gz FWBYAKDVTMMDEC-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039181960 1315589022 /nfs/dbraw/zinc/58/90/22/1315589022.db2.gz FWBYAKDVTMMDEC-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@H](O)CCOCc1ccccc1 ZINC001253290210 1315590131 /nfs/dbraw/zinc/59/01/31/1315590131.db2.gz FSQHVPJJXQTMID-AZUAARDMSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC[C@H](O)CCOCc1ccccc1 ZINC001253290210 1315590134 /nfs/dbraw/zinc/59/01/34/1315590134.db2.gz FSQHVPJJXQTMID-AZUAARDMSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@H]1CCCCN1CCC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253290210 1315590136 /nfs/dbraw/zinc/59/01/36/1315590136.db2.gz FSQHVPJJXQTMID-AZUAARDMSA-N 1 3 334.504 2.808 20 0 EFADHO O[C@H](CCOCc1ccccc1)CNC1CC[NH+](C2CCCC2)CC1 ZINC001253298606 1315592133 /nfs/dbraw/zinc/59/21/33/1315592133.db2.gz SNGZSMQVNDVMFP-OAQYLSRUSA-N 1 3 346.515 2.951 20 0 EFADHO O[C@H](CCOCc1ccccc1)C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001253298606 1315592136 /nfs/dbraw/zinc/59/21/36/1315592136.db2.gz SNGZSMQVNDVMFP-OAQYLSRUSA-N 1 3 346.515 2.951 20 0 EFADHO CC(C)(C)[C@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253725739 1315632536 /nfs/dbraw/zinc/63/25/36/1315632536.db2.gz ZWBUEYUXSWUWDP-GOSISDBHSA-N 1 3 331.504 2.777 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(C[C@@H](O)C(C)(C)C)CC1 ZINC001253731322 1315633274 /nfs/dbraw/zinc/63/32/74/1315633274.db2.gz OAJIFRMDZDOMNL-GOSISDBHSA-N 1 3 327.557 2.523 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000191824 1315647897 /nfs/dbraw/zinc/64/78/97/1315647897.db2.gz KESJLTNFNCJFOB-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001000192574 1315648002 /nfs/dbraw/zinc/64/80/02/1315648002.db2.gz MTYSNKWAYLHPSU-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](NCc3ccccc3Cl)C2)C1 ZINC001000192574 1315648006 /nfs/dbraw/zinc/64/80/06/1315648006.db2.gz MTYSNKWAYLHPSU-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001000192374 1315648026 /nfs/dbraw/zinc/64/80/26/1315648026.db2.gz MASMSKINFHAASQ-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000191823 1315648359 /nfs/dbraw/zinc/64/83/59/1315648359.db2.gz KESJLTNFNCJFOB-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC001000191958 1315648368 /nfs/dbraw/zinc/64/83/68/1315648368.db2.gz LKFTZAJCXCCJKZ-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001000192562 1315648428 /nfs/dbraw/zinc/64/84/28/1315648428.db2.gz MTYSNKWAYLHPSU-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](NCc3ccccc3Cl)C2)C1 ZINC001000192562 1315648434 /nfs/dbraw/zinc/64/84/34/1315648434.db2.gz MTYSNKWAYLHPSU-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001000224978 1315649139 /nfs/dbraw/zinc/64/91/39/1315649139.db2.gz JJTOPYUSVGAVKB-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001000314570 1315653630 /nfs/dbraw/zinc/65/36/30/1315653630.db2.gz YQUGKMJRKSDGPE-SFHVURJKSA-N 1 3 338.455 2.610 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001000314509 1315653662 /nfs/dbraw/zinc/65/36/62/1315653662.db2.gz YBHCCCOJIPDNHW-QFBILLFUSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000321635 1315654218 /nfs/dbraw/zinc/65/42/18/1315654218.db2.gz UMCCKFMRUSONFM-NVXWUHKLSA-N 1 3 326.444 2.602 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238140 1315664253 /nfs/dbraw/zinc/66/42/53/1315664253.db2.gz MLWIAOAUPAULJW-FUHWJXTLSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238140 1315664255 /nfs/dbraw/zinc/66/42/55/1315664255.db2.gz MLWIAOAUPAULJW-FUHWJXTLSA-N 1 3 330.476 2.621 20 0 EFADHO CC[N@H+](Cc1ccncc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254030019 1315666741 /nfs/dbraw/zinc/66/67/41/1315666741.db2.gz SVZDAILCRSGANV-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO CC[N@@H+](Cc1ccncc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254030019 1315666745 /nfs/dbraw/zinc/66/67/45/1315666745.db2.gz SVZDAILCRSGANV-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO C[C@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001254033948 1315667677 /nfs/dbraw/zinc/66/76/77/1315667677.db2.gz BINSZKJWARJDOS-INIZCTEOSA-N 1 3 338.442 2.991 20 0 EFADHO C[C@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001254033948 1315667680 /nfs/dbraw/zinc/66/76/80/1315667680.db2.gz BINSZKJWARJDOS-INIZCTEOSA-N 1 3 338.442 2.991 20 0 EFADHO COC(C)(C)[C@@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038226 1315667746 /nfs/dbraw/zinc/66/77/46/1315667746.db2.gz AHXSFWBMCQBZAF-IBGZPJMESA-N 1 3 346.515 2.903 20 0 EFADHO COC(C)(C)[C@@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038226 1315667749 /nfs/dbraw/zinc/66/77/49/1315667749.db2.gz AHXSFWBMCQBZAF-IBGZPJMESA-N 1 3 346.515 2.903 20 0 EFADHO CC1(C)C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254039005 1315668502 /nfs/dbraw/zinc/66/85/02/1315668502.db2.gz VOMXWRFILXDZMS-UHFFFAOYSA-N 1 3 332.488 2.514 20 0 EFADHO CC1(C)C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCCO1 ZINC001254039005 1315668504 /nfs/dbraw/zinc/66/85/04/1315668504.db2.gz VOMXWRFILXDZMS-UHFFFAOYSA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)(NCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC001254051338 1315669136 /nfs/dbraw/zinc/66/91/36/1315669136.db2.gz ILUFBGKPVVVYNQ-UHFFFAOYSA-N 1 3 339.483 2.933 20 0 EFADHO OC1(CNCc2cccc(Cl)n2)CC[NH+](Cc2ccccc2)CC1 ZINC001254049308 1315669162 /nfs/dbraw/zinc/66/91/62/1315669162.db2.gz BZYIAPLGFMDSGO-UHFFFAOYSA-N 1 3 345.874 2.852 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2ccccc2C(F)(F)F)nn1 ZINC001254163655 1315677076 /nfs/dbraw/zinc/67/70/76/1315677076.db2.gz VDAXPEMXQYHCMX-UHFFFAOYSA-N 1 3 341.381 2.683 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189595 1315679271 /nfs/dbraw/zinc/67/92/71/1315679271.db2.gz XPDLCECLECZPTI-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189595 1315679275 /nfs/dbraw/zinc/67/92/75/1315679275.db2.gz XPDLCECLECZPTI-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189595 1315679279 /nfs/dbraw/zinc/67/92/79/1315679279.db2.gz XPDLCECLECZPTI-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001254199298 1315680630 /nfs/dbraw/zinc/68/06/30/1315680630.db2.gz MHGRLEMEQKPQQF-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001254199298 1315680634 /nfs/dbraw/zinc/68/06/34/1315680634.db2.gz MHGRLEMEQKPQQF-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCC3(CC3)CC1)CC2 ZINC001254442103 1315704660 /nfs/dbraw/zinc/70/46/60/1315704660.db2.gz COTUUKSCGFPZFM-UHFFFAOYSA-N 1 3 343.515 2.533 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC3(CC3)CC1)CC2 ZINC001254442103 1315704662 /nfs/dbraw/zinc/70/46/62/1315704662.db2.gz COTUUKSCGFPZFM-UHFFFAOYSA-N 1 3 343.515 2.533 20 0 EFADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039298243 1315707234 /nfs/dbraw/zinc/70/72/34/1315707234.db2.gz RHPNYLKSZQJROF-IHBAFOEMSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001039304740 1315710153 /nfs/dbraw/zinc/71/01/53/1315710153.db2.gz VUZKFNYUKDPLLT-YQQQUEKLSA-N 1 3 335.536 2.876 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519412 1315714180 /nfs/dbraw/zinc/71/41/80/1315714180.db2.gz IDPNULHFCINJKQ-APWZRJJASA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CC[C@@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519412 1315714182 /nfs/dbraw/zinc/71/41/82/1315714182.db2.gz IDPNULHFCINJKQ-APWZRJJASA-N 1 3 337.508 2.946 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254521101 1315715689 /nfs/dbraw/zinc/71/56/89/1315715689.db2.gz SQTRXHZYXHIZGV-MRXNPFEDSA-N 1 3 337.508 2.946 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001254521101 1315715691 /nfs/dbraw/zinc/71/56/91/1315715691.db2.gz SQTRXHZYXHIZGV-MRXNPFEDSA-N 1 3 337.508 2.946 20 0 EFADHO Cc1ccc2nc(C3CCN([C@@H]4CCC[N@@H+](C)CC4)CC3)nn2c1 ZINC001254524436 1315717721 /nfs/dbraw/zinc/71/77/21/1315717721.db2.gz ZYPIEOXAHTXUQW-QGZVFWFLSA-N 1 3 327.476 2.701 20 0 EFADHO Cc1ccc2nc(C3CCN([C@@H]4CCC[N@H+](C)CC4)CC3)nn2c1 ZINC001254524436 1315717723 /nfs/dbraw/zinc/71/77/23/1315717723.db2.gz ZYPIEOXAHTXUQW-QGZVFWFLSA-N 1 3 327.476 2.701 20 0 EFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254534265 1315721096 /nfs/dbraw/zinc/72/10/96/1315721096.db2.gz VCHYAGYFHCYXDK-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254534265 1315721099 /nfs/dbraw/zinc/72/10/99/1315721099.db2.gz VCHYAGYFHCYXDK-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001413065323 1315733838 /nfs/dbraw/zinc/73/38/38/1315733838.db2.gz XVTNBYIHQHDPPK-IBGZPJMESA-N 1 3 333.520 2.946 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373818 1315746329 /nfs/dbraw/zinc/74/63/29/1315746329.db2.gz PRXBLIPRPNDFMO-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(C)C ZINC001039373818 1315746331 /nfs/dbraw/zinc/74/63/31/1315746331.db2.gz PRXBLIPRPNDFMO-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC2CCN(CC2)C1 ZINC001254860413 1315750799 /nfs/dbraw/zinc/75/07/99/1315750799.db2.gz METHEERKYJMUSB-RTWAWAEBSA-N 1 3 327.516 2.925 20 0 EFADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC2CCN(CC2)C1 ZINC001254860413 1315750802 /nfs/dbraw/zinc/75/08/02/1315750802.db2.gz METHEERKYJMUSB-RTWAWAEBSA-N 1 3 327.516 2.925 20 0 EFADHO O=C1C[C@@H]2CC([NH2+]CC3CCN(Cc4cccnc4)CC3)C[C@H]2C1 ZINC001254933174 1315760328 /nfs/dbraw/zinc/76/03/28/1315760328.db2.gz DMJUVRWVDDWTGN-ROUUACIJSA-N 1 3 327.472 2.641 20 0 EFADHO [NH3+]C1(Cc2cccc(F)c2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254933317 1315760687 /nfs/dbraw/zinc/76/06/87/1315760687.db2.gz BSBAKHHXKRIHSG-HOTGVXAUSA-N 1 3 330.447 2.919 20 0 EFADHO [NH3+]C1(Cc2ccccc2F)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254938451 1315760951 /nfs/dbraw/zinc/76/09/51/1315760951.db2.gz GJQPNZRKMDDVPH-FVQHAEBGSA-N 1 3 330.447 2.919 20 0 EFADHO [NH3+]C1(Cc2ccc(F)cc2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254938834 1315761012 /nfs/dbraw/zinc/76/10/12/1315761012.db2.gz KKXQSUYXWYTGCA-HZPDHXFCSA-N 1 3 330.447 2.919 20 0 EFADHO [NH3+]C1(Cc2ccccc2F)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254938453 1315761334 /nfs/dbraw/zinc/76/13/34/1315761334.db2.gz GJQPNZRKMDDVPH-HOTGVXAUSA-N 1 3 330.447 2.919 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1)N1CCCCC1 ZINC001050324878 1315761547 /nfs/dbraw/zinc/76/15/47/1315761547.db2.gz FFCJFVKZVHFCMA-IYARVYRRSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)[N@H+](CCCN)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965156 1315766961 /nfs/dbraw/zinc/76/69/61/1315766961.db2.gz BRHXEWKTUMFYMA-XHSDSOJGSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965156 1315766963 /nfs/dbraw/zinc/76/69/63/1315766963.db2.gz BRHXEWKTUMFYMA-XHSDSOJGSA-N 1 3 325.497 2.834 20 0 EFADHO O=C1CCCCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123243 1315779082 /nfs/dbraw/zinc/77/90/82/1315779082.db2.gz PXYHFGTXRNCZAM-ACDBMABISA-N 1 3 341.499 2.784 20 0 EFADHO O=C1CCCCN1CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123243 1315779085 /nfs/dbraw/zinc/77/90/85/1315779085.db2.gz PXYHFGTXRNCZAM-ACDBMABISA-N 1 3 341.499 2.784 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](Cc1csc(C)c1)CC2)N(C)C ZINC001050562880 1315781996 /nfs/dbraw/zinc/78/19/96/1315781996.db2.gz GJDQRSMMMABICC-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](Cc2ccsc2)CC3)C1 ZINC001050663564 1315793606 /nfs/dbraw/zinc/79/36/06/1315793606.db2.gz VFCUEUHOISNLBV-INIZCTEOSA-N 1 3 347.528 2.514 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724027104 1315803276 /nfs/dbraw/zinc/80/32/76/1315803276.db2.gz IGWZPFNTIHWBHZ-ZACQAIPSSA-N 1 3 339.524 3.000 20 0 EFADHO O=C(C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1)N1CCCCC1 ZINC001255384076 1315814685 /nfs/dbraw/zinc/81/46/85/1315814685.db2.gz SNDGAMMILYSZSY-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO CC(=O)N1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397839 1315816253 /nfs/dbraw/zinc/81/62/53/1315816253.db2.gz HWESPUCVMJDIHC-FQEVSTJZSA-N 1 3 329.488 2.595 20 0 EFADHO CC(=O)N1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397839 1315816256 /nfs/dbraw/zinc/81/62/56/1315816256.db2.gz HWESPUCVMJDIHC-FQEVSTJZSA-N 1 3 329.488 2.595 20 0 EFADHO O[C@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397215 1315816717 /nfs/dbraw/zinc/81/67/17/1315816717.db2.gz NAYGCFZZOWUQRU-VQTJNVASSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397215 1315816719 /nfs/dbraw/zinc/81/67/19/1315816719.db2.gz NAYGCFZZOWUQRU-VQTJNVASSA-N 1 3 325.456 2.759 20 0 EFADHO O=C1NC[C@@]2(CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407821 1315819032 /nfs/dbraw/zinc/81/90/32/1315819032.db2.gz FIOBDLIOPHCRIU-UYAOXDASSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC[C@@]2(CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407821 1315819035 /nfs/dbraw/zinc/81/90/35/1315819035.db2.gz FIOBDLIOPHCRIU-UYAOXDASSA-N 1 3 343.471 2.616 20 0 EFADHO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001255442765 1315823907 /nfs/dbraw/zinc/82/39/07/1315823907.db2.gz CLWFLAXDUKXGRI-RBUKOAKNSA-N 1 3 331.504 2.686 20 0 EFADHO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001255442765 1315823913 /nfs/dbraw/zinc/82/39/13/1315823913.db2.gz CLWFLAXDUKXGRI-RBUKOAKNSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039484115 1315829268 /nfs/dbraw/zinc/82/92/68/1315829268.db2.gz PKHBNNVLMKRBOL-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039484115 1315829273 /nfs/dbraw/zinc/82/92/73/1315829273.db2.gz PKHBNNVLMKRBOL-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)N(C)C ZINC001039487142 1315835437 /nfs/dbraw/zinc/83/54/37/1315835437.db2.gz ZYLMSIWVTZYYTG-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)N(C)C ZINC001039487142 1315835441 /nfs/dbraw/zinc/83/54/41/1315835441.db2.gz ZYLMSIWVTZYYTG-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(CC3CCC3)CC2)C1 ZINC001255591781 1315845362 /nfs/dbraw/zinc/84/53/62/1315845362.db2.gz BBJGVGUNKBGJFD-QGZVFWFLSA-N 1 3 337.508 2.850 20 0 EFADHO C[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001255635226 1315851157 /nfs/dbraw/zinc/85/11/57/1315851157.db2.gz UJKYJHJECIUDDP-CQSZACIVSA-N 1 3 329.410 2.865 20 0 EFADHO COc1ccccc1C1(N)CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255671057 1315855391 /nfs/dbraw/zinc/85/53/91/1315855391.db2.gz FGUONGTZEYNYLC-JWTNVVGKSA-N 1 3 343.515 2.960 20 0 EFADHO COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001255672522 1315856088 /nfs/dbraw/zinc/85/60/88/1315856088.db2.gz IEKLGSVSMCIEEV-RGPMPMONSA-N 1 3 346.471 2.904 20 0 EFADHO CC(C)N1CCC(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC1 ZINC001255798834 1315868163 /nfs/dbraw/zinc/86/81/63/1315868163.db2.gz FSJMLAUBEYSMQE-MRXNPFEDSA-N 1 3 338.517 2.559 20 0 EFADHO C[C@H](Cc1ccccc1F)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255834306 1315872020 /nfs/dbraw/zinc/87/20/20/1315872020.db2.gz HZVIMSZQQULJKC-CJNGLKHVSA-N 1 3 339.455 2.936 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589595 1315880609 /nfs/dbraw/zinc/88/06/09/1315880609.db2.gz GDERQNJNBKTAIT-ZGXWSNOMSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589595 1315880613 /nfs/dbraw/zinc/88/06/13/1315880613.db2.gz GDERQNJNBKTAIT-ZGXWSNOMSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589592 1315880657 /nfs/dbraw/zinc/88/06/57/1315880657.db2.gz GDERQNJNBKTAIT-LWYYNNOASA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589592 1315880660 /nfs/dbraw/zinc/88/06/60/1315880660.db2.gz GDERQNJNBKTAIT-LWYYNNOASA-N 1 3 345.531 2.726 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255941938 1315882592 /nfs/dbraw/zinc/88/25/92/1315882592.db2.gz ZZVVFWREBFMFHM-JYJNAYRXSA-N 1 3 327.513 2.952 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001255941939 1315882838 /nfs/dbraw/zinc/88/28/38/1315882838.db2.gz ZZVVFWREBFMFHM-XHSDSOJGSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255945366 1315883052 /nfs/dbraw/zinc/88/30/52/1315883052.db2.gz DMVQXWMKDQDMAZ-VVLHAWIVSA-N 1 3 339.524 2.952 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCc1ccccc1N1CCN(C)CC1 ZINC001255943383 1315883075 /nfs/dbraw/zinc/88/30/75/1315883075.db2.gz LXKUQFRHAHOWKP-GOSISDBHSA-N 1 3 332.536 2.648 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255948806 1315883781 /nfs/dbraw/zinc/88/37/81/1315883781.db2.gz PVUQJPOWSHNZFA-CABCVRRESA-N 1 3 327.513 2.952 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]2C[C@@H]21 ZINC001255955054 1315884469 /nfs/dbraw/zinc/88/44/69/1315884469.db2.gz MZJRQEVCKIRFRH-LUKYLMHMSA-N 1 3 339.524 2.952 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039622719 1315887099 /nfs/dbraw/zinc/88/70/99/1315887099.db2.gz JACDXWSMVTWNHZ-SLFFLAALSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039622719 1315887103 /nfs/dbraw/zinc/88/71/03/1315887103.db2.gz JACDXWSMVTWNHZ-SLFFLAALSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001039644362 1315889299 /nfs/dbraw/zinc/88/92/99/1315889299.db2.gz YJUCLWCHXQEKQF-OTWHNJEPSA-N 1 3 347.547 2.828 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)C1CC1 ZINC001039644362 1315889302 /nfs/dbraw/zinc/88/93/02/1315889302.db2.gz YJUCLWCHXQEKQF-OTWHNJEPSA-N 1 3 347.547 2.828 20 0 EFADHO c1cnc(N2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)nc1 ZINC001256052305 1315896872 /nfs/dbraw/zinc/89/68/72/1315896872.db2.gz SOOUAQIAVPOTNS-UHFFFAOYSA-N 1 3 343.519 2.690 20 0 EFADHO CN(C)Cc1ccc(CSCC[NH2+]C2CCN(C3CC3)CC2)o1 ZINC001256066164 1315898765 /nfs/dbraw/zinc/89/87/65/1315898765.db2.gz WNFAACNPXGPFTC-UHFFFAOYSA-N 1 3 337.533 2.791 20 0 EFADHO c1ccc(CN2C[C@H]3C[NH+](C4CCN(C5CC5)CC4)C[C@@H]3C2)cc1 ZINC001256078602 1315900707 /nfs/dbraw/zinc/90/07/07/1315900707.db2.gz AZLCSQSGENOUPH-OALUTQOASA-N 1 3 325.500 2.677 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C1 ZINC001256297055 1315926977 /nfs/dbraw/zinc/92/69/77/1315926977.db2.gz UJQRYESJFCIMKO-HZPDHXFCSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC(N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001256470418 1315945527 /nfs/dbraw/zinc/94/55/27/1315945527.db2.gz VEEMPTALJVOGRQ-ZBFHGGJFSA-N 1 3 325.497 2.800 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256482714 1315947365 /nfs/dbraw/zinc/94/73/65/1315947365.db2.gz FQTOIVQWWYXEPK-HZPDHXFCSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256482712 1315947562 /nfs/dbraw/zinc/94/75/62/1315947562.db2.gz FQTOIVQWWYXEPK-CVEARBPZSA-N 1 3 337.508 2.802 20 0 EFADHO COC(=O)C12CC(N[C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001256523545 1315950943 /nfs/dbraw/zinc/95/09/43/1315950943.db2.gz PSJOAPHKTQHHFP-CBZJXEIOSA-N 1 3 328.456 2.725 20 0 EFADHO COC(=O)C12CC(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001256523545 1315950946 /nfs/dbraw/zinc/95/09/46/1315950946.db2.gz PSJOAPHKTQHHFP-CBZJXEIOSA-N 1 3 328.456 2.725 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001256554847 1315957564 /nfs/dbraw/zinc/95/75/64/1315957564.db2.gz MONWLISLLBXUBM-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001256568967 1315960903 /nfs/dbraw/zinc/96/09/03/1315960903.db2.gz MLNJKCNZBYDYRD-MRXNPFEDSA-N 1 3 326.431 2.721 20 0 EFADHO CC(C)(C)OC(=O)NCC1([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC001256567163 1315960939 /nfs/dbraw/zinc/96/09/39/1315960939.db2.gz TUXFCEZYCNBPCI-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO CC(C)N(C)Cc1nn(C2CC[NH+](C(C)(C)C)CC2)c2c1CCNC2 ZINC001256571545 1315961251 /nfs/dbraw/zinc/96/12/51/1315961251.db2.gz BLPRVUOXYHTEHN-UHFFFAOYSA-N 1 3 347.551 2.804 20 0 EFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001256571818 1315961403 /nfs/dbraw/zinc/96/14/03/1315961403.db2.gz LAXTXCHZHPSZOU-QUCCMNQESA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C)N1CCC([N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001256571818 1315961405 /nfs/dbraw/zinc/96/14/05/1315961405.db2.gz LAXTXCHZHPSZOU-QUCCMNQESA-N 1 3 336.520 2.909 20 0 EFADHO O=C1Nc2ccccc2[C@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604429 1315967837 /nfs/dbraw/zinc/96/78/37/1315967837.db2.gz LNOWELSDKWLVLE-LJQANCHMSA-N 1 3 335.451 2.977 20 0 EFADHO O=c1ccc2c([nH]1)CCN(C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001256608809 1315968445 /nfs/dbraw/zinc/96/84/45/1315968445.db2.gz FZNLMUIXHJGUKR-UHFFFAOYSA-N 1 3 337.467 2.852 20 0 EFADHO COc1ccc2c(c1)CC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256675084 1315979591 /nfs/dbraw/zinc/97/95/91/1315979591.db2.gz DJRGWHHIDWLMIM-GPJFCIFZSA-N 1 3 344.499 2.786 20 0 EFADHO COc1ccc(O[C@@H](C)C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677315 1315980372 /nfs/dbraw/zinc/98/03/72/1315980372.db2.gz CCCHDOAWRBTOAI-AOCRQIFASA-N 1 3 348.487 2.696 20 0 EFADHO c1cc(OC2CCC2)cc(C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256681357 1315980736 /nfs/dbraw/zinc/98/07/36/1315980736.db2.gz RLSCWLBHRXXDKG-UHFFFAOYSA-N 1 3 345.487 2.746 20 0 EFADHO COc1ccc(F)c(F)c1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682698 1315980824 /nfs/dbraw/zinc/98/08/24/1315980824.db2.gz MXXBDRXYVWBMNI-UHFFFAOYSA-N 1 3 340.414 2.706 20 0 EFADHO C[C@H](CCc1ccc(O)cc1)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686931 1315981513 /nfs/dbraw/zinc/98/15/13/1315981513.db2.gz WECPAVHTNMTBOB-IPJUCJBFSA-N 1 3 332.488 2.946 20 0 EFADHO COc1ccc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256685805 1315981554 /nfs/dbraw/zinc/98/15/54/1315981554.db2.gz HFJFLDFCOHNICV-UHYCVJNDSA-N 1 3 345.487 2.774 20 0 EFADHO Fc1cc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256685820 1315981559 /nfs/dbraw/zinc/98/15/59/1315981559.db2.gz HHOYHOFJINOBIZ-TVPLGVNVSA-N 1 3 333.451 2.905 20 0 EFADHO Fc1cccnc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256686154 1315981573 /nfs/dbraw/zinc/98/15/73/1315981573.db2.gz JSZOCYLMUKIHCR-HTWSVDAQSA-N 1 3 333.451 2.905 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256686746 1315981588 /nfs/dbraw/zinc/98/15/88/1315981588.db2.gz CUTLQZGQONKBOM-IJNIYJAUSA-N 1 3 345.487 2.939 20 0 EFADHO OC1([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)c2ccccc2)CCC1 ZINC001256683706 1315981593 /nfs/dbraw/zinc/98/15/93/1315981593.db2.gz GIVOSECIXCUJDL-MHJFOBGBSA-N 1 3 344.499 2.876 20 0 EFADHO O[C@@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1cc2ccccc2o1 ZINC001256686788 1315981800 /nfs/dbraw/zinc/98/18/00/1315981800.db2.gz DHTBYFLUGHEVJP-ABHNRTSZSA-N 1 3 344.455 2.699 20 0 EFADHO CC1(C)C[C@H](C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)CCO1 ZINC001256688072 1315982002 /nfs/dbraw/zinc/98/20/02/1315982002.db2.gz OVBOEFMEIVRJTM-WWDZGPRUSA-N 1 3 336.520 2.957 20 0 EFADHO [NH3+]Cc1ccc(-c2cn(C3CCC(N4CCOCC4)CC3)cn2)cc1 ZINC001256687989 1315982075 /nfs/dbraw/zinc/98/20/75/1315982075.db2.gz LYQGNWULAVCQQJ-UHFFFAOYSA-N 1 3 340.471 2.825 20 0 EFADHO c1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256688088 1315982115 /nfs/dbraw/zinc/98/21/15/1315982115.db2.gz PFUDWFJGHCDZNF-ADKAHSJRSA-N 1 3 332.513 2.936 20 0 EFADHO COc1ccccc1CC[N@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256697694 1315983852 /nfs/dbraw/zinc/98/38/52/1315983852.db2.gz HHFOVNGEIFFEKG-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO COc1ccccc1CC[N@@H+](C)C1CCC(N2CCOCC2)CC1 ZINC001256697694 1315983853 /nfs/dbraw/zinc/98/38/53/1315983853.db2.gz HHFOVNGEIFFEKG-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039860987 1315986687 /nfs/dbraw/zinc/98/66/87/1315986687.db2.gz RAQLRIIFLJFFFH-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039860987 1315986690 /nfs/dbraw/zinc/98/66/90/1315986690.db2.gz RAQLRIIFLJFFFH-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)C1 ZINC001039863632 1315988916 /nfs/dbraw/zinc/98/89/16/1315988916.db2.gz KIBWDRVWAFPHOZ-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)C1 ZINC001039863632 1315988919 /nfs/dbraw/zinc/98/89/19/1315988919.db2.gz KIBWDRVWAFPHOZ-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@@H+]1C ZINC001039876665 1315996109 /nfs/dbraw/zinc/99/61/09/1315996109.db2.gz YPUHWKANJNAYGQ-DSLXNQLJSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@H+]1C ZINC001039876665 1315996112 /nfs/dbraw/zinc/99/61/12/1315996112.db2.gz YPUHWKANJNAYGQ-DSLXNQLJSA-N 1 3 333.520 2.582 20 0 EFADHO Cc1ccc2c(n1)N(C)CCN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256859938 1316000979 /nfs/dbraw/zinc/00/09/79/1316000979.db2.gz TVJMYANOBSDWEM-UHFFFAOYSA-N 1 3 337.471 2.706 20 0 EFADHO CCC1CCC([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001256871814 1316002581 /nfs/dbraw/zinc/00/25/81/1316002581.db2.gz UVSSKZFYHHGGCQ-UHFFFAOYSA-N 1 3 345.531 2.779 20 0 EFADHO CCC1CCC([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)CC1 ZINC001256871814 1316002585 /nfs/dbraw/zinc/00/25/85/1316002585.db2.gz UVSSKZFYHHGGCQ-UHFFFAOYSA-N 1 3 345.531 2.779 20 0 EFADHO COC(=O)CC1CCC(N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001256989343 1316019074 /nfs/dbraw/zinc/01/90/74/1316019074.db2.gz APESNTIZPPLJNO-UHFFFAOYSA-N 1 3 331.460 2.634 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001257039999 1316023913 /nfs/dbraw/zinc/02/39/13/1316023913.db2.gz NFBMAMUZEUMTGA-QZTJIDSGSA-N 1 3 345.487 2.615 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039972570 1316042260 /nfs/dbraw/zinc/04/22/60/1316042260.db2.gz QYNQLBZRKCPMRV-ZGXWSNOMSA-N 1 3 347.547 2.972 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001257166971 1316042808 /nfs/dbraw/zinc/04/28/08/1316042808.db2.gz KWCXYMIEZOQWAG-UZLBHIALSA-N 1 3 330.472 2.822 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001257166971 1316042810 /nfs/dbraw/zinc/04/28/10/1316042810.db2.gz KWCXYMIEZOQWAG-UZLBHIALSA-N 1 3 330.472 2.822 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001039973621 1316043422 /nfs/dbraw/zinc/04/34/22/1316043422.db2.gz BLUOUWOQUVRALW-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001039973621 1316043423 /nfs/dbraw/zinc/04/34/23/1316043423.db2.gz BLUOUWOQUVRALW-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001039974171 1316043857 /nfs/dbraw/zinc/04/38/57/1316043857.db2.gz PUTCEQXIXQWUNE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001039974171 1316043858 /nfs/dbraw/zinc/04/38/58/1316043858.db2.gz PUTCEQXIXQWUNE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC1 ZINC001257211465 1316046504 /nfs/dbraw/zinc/04/65/04/1316046504.db2.gz LNOIVGASOLWING-SFHVURJKSA-N 1 3 333.451 2.503 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001257215766 1316047620 /nfs/dbraw/zinc/04/76/20/1316047620.db2.gz YSNQHMHZSSNOQN-RDJZCZTQSA-N 1 3 337.508 2.800 20 0 EFADHO CCC[C@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257245254 1316050857 /nfs/dbraw/zinc/05/08/57/1316050857.db2.gz MDOUTQUYJYMDOY-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001040005879 1316052179 /nfs/dbraw/zinc/05/21/79/1316052179.db2.gz KESPHUQVZBHDMB-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001040005879 1316052181 /nfs/dbraw/zinc/05/21/81/1316052181.db2.gz KESPHUQVZBHDMB-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001040006257 1316052618 /nfs/dbraw/zinc/05/26/18/1316052618.db2.gz WSFOWDGTVBUBAD-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001040006257 1316052621 /nfs/dbraw/zinc/05/26/21/1316052621.db2.gz WSFOWDGTVBUBAD-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257306420 1316054965 /nfs/dbraw/zinc/05/49/65/1316054965.db2.gz REGNPRFHXUXYMA-FUHWJXTLSA-N 1 3 331.504 2.580 20 0 EFADHO C[C@H]1CC(N2CCC(C)([NH3+])CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257580074 1316076860 /nfs/dbraw/zinc/07/68/60/1316076860.db2.gz DJFGUURIJAWHPI-KBPBESRZSA-N 1 3 325.497 2.976 20 0 EFADHO CC(C)C[NH+]1CCC(NCc2ccccc2N2CCN(C)CC2)CC1 ZINC001258002248 1316108340 /nfs/dbraw/zinc/10/83/40/1316108340.db2.gz DYTFWGCELOLBEE-UHFFFAOYSA-N 1 3 344.547 2.648 20 0 EFADHO CC(C)CN1CCC([NH2+]C2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001258007740 1316109340 /nfs/dbraw/zinc/10/93/40/1316109340.db2.gz QMUMTBHPZKZJNI-UHFFFAOYSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001258014408 1316110677 /nfs/dbraw/zinc/11/06/77/1316110677.db2.gz JHVBAFQKCGFVBI-HXUWFJFHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001258014408 1316110679 /nfs/dbraw/zinc/11/06/79/1316110679.db2.gz JHVBAFQKCGFVBI-HXUWFJFHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[NH+]1CCC(N2CCC[C@H](C(=O)N3CCCCC3)C2)CC1 ZINC001258014706 1316110832 /nfs/dbraw/zinc/11/08/32/1316110832.db2.gz QXTSADCYHWIUAD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@H]3CCN(C4CCC4)C3)CC2)cc1 ZINC001258137067 1316123616 /nfs/dbraw/zinc/12/36/16/1316123616.db2.gz DAJHGRLLBIMOAX-FQEVSTJZSA-N 1 3 327.516 2.910 20 0 EFADHO CCN1C[C@@H]2C[NH+](C3CCN(CCc4ccccc4)CC3)C[C@H]2C1 ZINC001258149888 1316124896 /nfs/dbraw/zinc/12/48/96/1316124896.db2.gz SCPXODVJIICPGF-WOJBJXKFSA-N 1 3 327.516 2.577 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H](C)CCSC)CC2)C1 ZINC001258216337 1316132633 /nfs/dbraw/zinc/13/26/33/1316132633.db2.gz XKINKOPABJCVOF-HOTGVXAUSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H](C)CCSC)CC2)C1 ZINC001258216337 1316132634 /nfs/dbraw/zinc/13/26/34/1316132634.db2.gz XKINKOPABJCVOF-HOTGVXAUSA-N 1 3 342.549 2.868 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236263 1316158238 /nfs/dbraw/zinc/15/82/38/1316158238.db2.gz KKBLIZXIEOKJFR-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236263 1316158239 /nfs/dbraw/zinc/15/82/39/1316158239.db2.gz KKBLIZXIEOKJFR-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO COCCC1([NH3+])CCN(C2CCC3(CC2)OCC(C)(C)CO3)CC1 ZINC001258522003 1316159596 /nfs/dbraw/zinc/15/95/96/1316159596.db2.gz PLGBMKNSZBLHOG-UHFFFAOYSA-N 1 3 340.508 2.528 20 0 EFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC(C)(C)C1)CCC2 ZINC001258603301 1316166717 /nfs/dbraw/zinc/16/67/17/1316166717.db2.gz HYKKJQJXYUICJL-QGZVFWFLSA-N 1 3 346.519 2.868 20 0 EFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC(C)(C)C1)CCC2 ZINC001258603301 1316166718 /nfs/dbraw/zinc/16/67/18/1316166718.db2.gz HYKKJQJXYUICJL-QGZVFWFLSA-N 1 3 346.519 2.868 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699528 1316172562 /nfs/dbraw/zinc/17/25/62/1316172562.db2.gz WBNMWFVFMAQJTR-DOTOQJQBSA-N 1 3 346.519 2.725 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699528 1316172564 /nfs/dbraw/zinc/17/25/64/1316172564.db2.gz WBNMWFVFMAQJTR-DOTOQJQBSA-N 1 3 346.519 2.725 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2OC)CC1 ZINC001258771454 1316176635 /nfs/dbraw/zinc/17/66/35/1316176635.db2.gz CHEAJWYSTGEGBA-SFTDATJTSA-N 1 3 345.531 2.740 20 0 EFADHO CCCN1CCC([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001258775341 1316177469 /nfs/dbraw/zinc/17/74/69/1316177469.db2.gz LANFWVDCTIVOQV-WOJBJXKFSA-N 1 3 327.516 2.925 20 0 EFADHO CCC[NH+]1CCC(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001258775387 1316177602 /nfs/dbraw/zinc/17/76/02/1316177602.db2.gz NBKUWZZZOBDNAH-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[NH+]1CCC(N2C[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)CC1 ZINC001258777946 1316178007 /nfs/dbraw/zinc/17/80/07/1316178007.db2.gz OLHYQWKUEWFXQY-RTBURBONSA-N 1 3 330.472 2.749 20 0 EFADHO COc1cnc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001276382172 1316178545 /nfs/dbraw/zinc/17/85/45/1316178545.db2.gz LJYXJOXFUCOWIA-IYBDPMFKSA-N 1 3 330.476 2.572 20 0 EFADHO COc1cnc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)cn1 ZINC001276382172 1316178548 /nfs/dbraw/zinc/17/85/48/1316178548.db2.gz LJYXJOXFUCOWIA-IYBDPMFKSA-N 1 3 330.476 2.572 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC[C@H](C)C1)CCC2 ZINC001258824823 1316181389 /nfs/dbraw/zinc/18/13/89/1316181389.db2.gz TXIOZQMPPGKONW-FUHWJXTLSA-N 1 3 346.519 2.870 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc(OC)c1OC ZINC001258855398 1316184856 /nfs/dbraw/zinc/18/48/56/1316184856.db2.gz AAVCUYPBTDZRJW-ZBFHGGJFSA-N 1 3 336.476 2.717 20 0 EFADHO COc1cc(C[C@@H](C)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc(OC)c1OC ZINC001258867712 1316186544 /nfs/dbraw/zinc/18/65/44/1316186544.db2.gz IWCKYZJCEFRGMF-OIISXLGYSA-N 1 3 348.487 2.527 20 0 EFADHO COc1cc(C[C@@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc(OC)c1OC ZINC001258867712 1316186545 /nfs/dbraw/zinc/18/65/45/1316186545.db2.gz IWCKYZJCEFRGMF-OIISXLGYSA-N 1 3 348.487 2.527 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381905833 1316198757 /nfs/dbraw/zinc/19/87/57/1316198757.db2.gz XWMYGQSCFTXXIQ-OAGGEKHMSA-N 1 3 327.513 2.857 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929334 1316230300 /nfs/dbraw/zinc/23/03/00/1316230300.db2.gz FBULIECVFVTVRE-WBMJQRKESA-N 1 3 328.378 2.813 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929334 1316230305 /nfs/dbraw/zinc/23/03/05/1316230305.db2.gz FBULIECVFVTVRE-WBMJQRKESA-N 1 3 328.378 2.813 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929334 1316230308 /nfs/dbraw/zinc/23/03/08/1316230308.db2.gz FBULIECVFVTVRE-WBMJQRKESA-N 1 3 328.378 2.813 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040393352 1316240040 /nfs/dbraw/zinc/24/00/40/1316240040.db2.gz AYNGPKNXYXFMEQ-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040393352 1316240042 /nfs/dbraw/zinc/24/00/42/1316240042.db2.gz AYNGPKNXYXFMEQ-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396167 1316241869 /nfs/dbraw/zinc/24/18/69/1316241869.db2.gz SKODKIQIEYPOLE-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396167 1316241873 /nfs/dbraw/zinc/24/18/73/1316241873.db2.gz SKODKIQIEYPOLE-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040397067 1316242165 /nfs/dbraw/zinc/24/21/65/1316242165.db2.gz XVUAGCULXBXVEM-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040397067 1316242168 /nfs/dbraw/zinc/24/21/68/1316242168.db2.gz XVUAGCULXBXVEM-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001040421118 1316254557 /nfs/dbraw/zinc/25/45/57/1316254557.db2.gz FKGHZKISEKCPBL-FQEVSTJZSA-N 1 3 344.503 2.703 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001040421118 1316254561 /nfs/dbraw/zinc/25/45/61/1316254561.db2.gz FKGHZKISEKCPBL-FQEVSTJZSA-N 1 3 344.503 2.703 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040543114 1316315075 /nfs/dbraw/zinc/31/50/75/1316315075.db2.gz HIAYQPABXWVEHY-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040543114 1316315080 /nfs/dbraw/zinc/31/50/80/1316315080.db2.gz HIAYQPABXWVEHY-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040545816 1316317614 /nfs/dbraw/zinc/31/76/14/1316317614.db2.gz VDJUCFQBQAKWQP-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001040545816 1316317617 /nfs/dbraw/zinc/31/76/17/1316317617.db2.gz VDJUCFQBQAKWQP-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727427 1316361568 /nfs/dbraw/zinc/36/15/68/1316361568.db2.gz QXWOQJNSSRSMRU-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729636 1316362167 /nfs/dbraw/zinc/36/21/67/1316362167.db2.gz KIGQHNIRSYXAAC-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001040735085 1316363111 /nfs/dbraw/zinc/36/31/11/1316363111.db2.gz JAGYJUDKPSNKHL-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001040835160 1316385102 /nfs/dbraw/zinc/38/51/02/1316385102.db2.gz JAGYJUDKPSNKHL-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849063 1316389040 /nfs/dbraw/zinc/38/90/40/1316389040.db2.gz OHXBPJWTBXRDHJ-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[NH+]1CCC2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)CC1 ZINC001040947327 1316408968 /nfs/dbraw/zinc/40/89/68/1316408968.db2.gz UOQDBSOCHUBZFO-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734597 1316409856 /nfs/dbraw/zinc/40/98/56/1316409856.db2.gz KXZJXRRZQPFSNB-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001072734597 1316409858 /nfs/dbraw/zinc/40/98/58/1316409858.db2.gz KXZJXRRZQPFSNB-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC1CCC1)C2)N(C)C ZINC001072955297 1316425300 /nfs/dbraw/zinc/42/53/00/1316425300.db2.gz CMYMOGIKGWDMCA-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2)N(C)C ZINC001072955297 1316425303 /nfs/dbraw/zinc/42/53/03/1316425303.db2.gz CMYMOGIKGWDMCA-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@]3(CCN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC001041142039 1316457889 /nfs/dbraw/zinc/45/78/89/1316457889.db2.gz SGSMDLSXRBNCHW-PKOBYXMFSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC001041142039 1316457891 /nfs/dbraw/zinc/45/78/91/1316457891.db2.gz SGSMDLSXRBNCHW-PKOBYXMFSA-N 1 3 347.528 2.575 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1)N(C)C ZINC001262565390 1316472480 /nfs/dbraw/zinc/47/24/80/1316472480.db2.gz KEOZMNLVUCCMIT-NWDGAFQWSA-N 1 3 335.275 2.663 20 0 EFADHO C[N@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073064 1316497051 /nfs/dbraw/zinc/49/70/51/1316497051.db2.gz HZSRGHLAMPQHIH-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CC1CCCCC1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073064 1316497054 /nfs/dbraw/zinc/49/70/54/1316497054.db2.gz HZSRGHLAMPQHIH-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1)N1CCCCC1 ZINC001041286390 1316502834 /nfs/dbraw/zinc/50/28/34/1316502834.db2.gz LEHQBDUJCCASMH-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@@H+](CCCF)C2)C1)N1CCCCC1 ZINC001041286390 1316502836 /nfs/dbraw/zinc/50/28/36/1316502836.db2.gz LEHQBDUJCCASMH-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)CCC1 ZINC001041355844 1316525566 /nfs/dbraw/zinc/52/55/66/1316525566.db2.gz RADUGUZNMQEVNP-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)CCC1 ZINC001041355844 1316525567 /nfs/dbraw/zinc/52/55/67/1316525567.db2.gz RADUGUZNMQEVNP-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001041356621 1316525999 /nfs/dbraw/zinc/52/59/99/1316525999.db2.gz ZXOYYAMJVQNTJR-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)CCC1 ZINC001041356621 1316526000 /nfs/dbraw/zinc/52/60/00/1316526000.db2.gz ZXOYYAMJVQNTJR-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357130 1316526063 /nfs/dbraw/zinc/52/60/63/1316526063.db2.gz DTSUUTLCAZIHNG-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357130 1316526067 /nfs/dbraw/zinc/52/60/67/1316526067.db2.gz DTSUUTLCAZIHNG-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358200 1316527247 /nfs/dbraw/zinc/52/72/47/1316527247.db2.gz LUTTTXGHNVFDEW-PZJWPPBQSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358200 1316527250 /nfs/dbraw/zinc/52/72/50/1316527250.db2.gz LUTTTXGHNVFDEW-PZJWPPBQSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccccc1F ZINC001074687064 1316530305 /nfs/dbraw/zinc/53/03/05/1316530305.db2.gz PESBQBJVQZODPF-DOXZYTNZSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041379637 1316532809 /nfs/dbraw/zinc/53/28/09/1316532809.db2.gz RTJTXCFEEXZASK-PXNSSMCTSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041379637 1316532810 /nfs/dbraw/zinc/53/28/10/1316532810.db2.gz RTJTXCFEEXZASK-PXNSSMCTSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)[C@@H]2C)C1 ZINC001074878234 1316539308 /nfs/dbraw/zinc/53/93/08/1316539308.db2.gz HXPSLWMQSCUCJH-AOIWGVFYSA-N 1 3 333.520 2.798 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)cc1 ZINC001074878407 1316539558 /nfs/dbraw/zinc/53/95/58/1316539558.db2.gz SKSCITIBENVDBL-UWVAXJGDSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001074878007 1316539656 /nfs/dbraw/zinc/53/96/56/1316539656.db2.gz VZODZNHKKZOIIC-BXWFABGCSA-N 1 3 347.478 2.697 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041401617 1316540861 /nfs/dbraw/zinc/54/08/61/1316540861.db2.gz CLUYJXROJPEAMM-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041401617 1316540864 /nfs/dbraw/zinc/54/08/64/1316540864.db2.gz CLUYJXROJPEAMM-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1)[NH+]1CCCC1 ZINC001041536537 1316580305 /nfs/dbraw/zinc/58/03/05/1316580305.db2.gz PEMKHRNFSFGGSB-MOTZXUDYSA-N 1 3 339.911 2.538 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)CC1 ZINC001041625547 1316625801 /nfs/dbraw/zinc/62/58/01/1316625801.db2.gz IXDIVHAANIFYTM-LJQANCHMSA-N 1 3 347.528 2.514 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041644491 1316632749 /nfs/dbraw/zinc/63/27/49/1316632749.db2.gz DOWKJWVGHKINOC-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041644491 1316632751 /nfs/dbraw/zinc/63/27/51/1316632751.db2.gz DOWKJWVGHKINOC-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041645215 1316632859 /nfs/dbraw/zinc/63/28/59/1316632859.db2.gz KCFYEAHCFCBOIJ-CTNGQTDRSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041645215 1316632861 /nfs/dbraw/zinc/63/28/61/1316632861.db2.gz KCFYEAHCFCBOIJ-CTNGQTDRSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041674387 1316644178 /nfs/dbraw/zinc/64/41/78/1316644178.db2.gz JJIPHTJORQLVQJ-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041674387 1316644182 /nfs/dbraw/zinc/64/41/82/1316644182.db2.gz JJIPHTJORQLVQJ-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001041676798 1316645247 /nfs/dbraw/zinc/64/52/47/1316645247.db2.gz ZSBGNTWWJQDHSI-NQIIRXRSSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001041676798 1316645249 /nfs/dbraw/zinc/64/52/49/1316645249.db2.gz ZSBGNTWWJQDHSI-NQIIRXRSSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001041676497 1316645498 /nfs/dbraw/zinc/64/54/98/1316645498.db2.gz XQKUJRGGPDCDEP-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001041676497 1316645499 /nfs/dbraw/zinc/64/54/99/1316645499.db2.gz XQKUJRGGPDCDEP-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041691668 1316649398 /nfs/dbraw/zinc/64/93/98/1316649398.db2.gz FSOVJWNBOKVOIH-AZUAARDMSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1)N(C)C ZINC001041691668 1316649400 /nfs/dbraw/zinc/64/94/00/1316649400.db2.gz FSOVJWNBOKVOIH-AZUAARDMSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001041711762 1316657460 /nfs/dbraw/zinc/65/74/60/1316657460.db2.gz IGXBFIWBULFXKG-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1 ZINC001041711762 1316657462 /nfs/dbraw/zinc/65/74/62/1316657462.db2.gz IGXBFIWBULFXKG-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001041723393 1316665735 /nfs/dbraw/zinc/66/57/35/1316665735.db2.gz HNDFGVXBNBEKMW-HKUYNNGSSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041723393 1316665739 /nfs/dbraw/zinc/66/57/39/1316665739.db2.gz HNDFGVXBNBEKMW-HKUYNNGSSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755707 1316682783 /nfs/dbraw/zinc/68/27/83/1316682783.db2.gz AYWCFQJMPVUSHU-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755707 1316682785 /nfs/dbraw/zinc/68/27/85/1316682785.db2.gz AYWCFQJMPVUSHU-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)CC1 ZINC001041757586 1316683481 /nfs/dbraw/zinc/68/34/81/1316683481.db2.gz ZHCZZUAMUWAFBR-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)CC1 ZINC001041757586 1316683483 /nfs/dbraw/zinc/68/34/83/1316683483.db2.gz ZHCZZUAMUWAFBR-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+](CC4CC4)C3)C2)c1 ZINC001041843628 1316730299 /nfs/dbraw/zinc/73/02/99/1316730299.db2.gz UXNZJNHDBZVJNX-NRFANRHFSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](CC4CC4)C3)C2)c1 ZINC001041843628 1316730300 /nfs/dbraw/zinc/73/03/00/1316730300.db2.gz UXNZJNHDBZVJNX-NRFANRHFSA-N 1 3 341.499 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041845724 1316732026 /nfs/dbraw/zinc/73/20/26/1316732026.db2.gz OXOORBOCVUHWDF-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041845724 1316732029 /nfs/dbraw/zinc/73/20/29/1316732029.db2.gz OXOORBOCVUHWDF-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041845708 1316732265 /nfs/dbraw/zinc/73/22/65/1316732265.db2.gz OGQMFJIVQRNVFI-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001041845708 1316732267 /nfs/dbraw/zinc/73/22/67/1316732267.db2.gz OGQMFJIVQRNVFI-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC001265902214 1316907924 /nfs/dbraw/zinc/90/79/24/1316907924.db2.gz KMBQBGPJVRDSGZ-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC001265902214 1316907927 /nfs/dbraw/zinc/90/79/27/1316907927.db2.gz KMBQBGPJVRDSGZ-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186125 1316940191 /nfs/dbraw/zinc/94/01/91/1316940191.db2.gz DFDUVAQYPRZRDM-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186125 1316940192 /nfs/dbraw/zinc/94/01/92/1316940192.db2.gz DFDUVAQYPRZRDM-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042313896 1317136795 /nfs/dbraw/zinc/13/67/95/1317136795.db2.gz KWJKXTXOIMGXQR-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042313896 1317136799 /nfs/dbraw/zinc/13/67/99/1317136799.db2.gz KWJKXTXOIMGXQR-IAGOWNOFSA-N 1 3 344.503 2.800 20 0 EFADHO Cc1[nH]c2ccccc2c1C[NH+]1CC2(C1)CCN(CCn1ccnc1)C2 ZINC001279227063 1317212150 /nfs/dbraw/zinc/21/21/50/1317212150.db2.gz TXISSRZHWSOMBX-UHFFFAOYSA-N 1 3 349.482 2.881 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@H+](CCCF)[C@@H]3C2)c1 ZINC001042366553 1317219838 /nfs/dbraw/zinc/21/98/38/1317219838.db2.gz WLNRQPKKOMGJQQ-PKOBYXMFSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](CCCF)[C@@H]3C2)c1 ZINC001042366553 1317219845 /nfs/dbraw/zinc/21/98/45/1317219845.db2.gz WLNRQPKKOMGJQQ-PKOBYXMFSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001042367684 1317223541 /nfs/dbraw/zinc/22/35/41/1317223541.db2.gz KFVLEROKFRLAPQ-APWZRJJASA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001042367684 1317223548 /nfs/dbraw/zinc/22/35/48/1317223548.db2.gz KFVLEROKFRLAPQ-APWZRJJASA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@@H]2C1 ZINC001042369300 1317224889 /nfs/dbraw/zinc/22/48/89/1317224889.db2.gz WDHOFXYCQDJEAJ-FXAWDEMLSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C1 ZINC001042369300 1317224894 /nfs/dbraw/zinc/22/48/94/1317224894.db2.gz WDHOFXYCQDJEAJ-FXAWDEMLSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)CC(C)(C)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001414064790 1328739642 /nfs/dbraw/zinc/73/96/42/1328739642.db2.gz VQWQOQVMSAFZSI-UHFFFAOYSA-N 1 3 339.281 2.774 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)Cc1c[nH]cn1 ZINC001319537356 1328911909 /nfs/dbraw/zinc/91/19/09/1328911909.db2.gz FKWOVAITMNUFDY-HNNXBMFYSA-N 1 3 336.439 2.742 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001491651629 1323777284 /nfs/dbraw/zinc/77/72/84/1323777284.db2.gz XGKAAQZPYIJYEE-INIZCTEOSA-N 1 3 327.472 2.776 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001491849311 1323944193 /nfs/dbraw/zinc/94/41/93/1323944193.db2.gz GSWVEUCECGKDJV-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C\Cl)C2)CCC1 ZINC001491874568 1323978565 /nfs/dbraw/zinc/97/85/65/1323978565.db2.gz OUTANOJIWWYAGT-YVAPMFQZSA-N 1 3 348.318 2.807 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001492039201 1324143032 /nfs/dbraw/zinc/14/30/32/1324143032.db2.gz AVGGFUALWNZHMF-MJGOQNOKSA-N 1 3 333.520 2.874 20 0 EFADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001492024415 1324184376 /nfs/dbraw/zinc/18/43/76/1324184376.db2.gz PKKNGZBKALDBDW-AWEZNQCLSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001492315793 1324415610 /nfs/dbraw/zinc/41/56/10/1324415610.db2.gz FYAUCCBRJIHFNT-PKOBYXMFSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001492315793 1324415615 /nfs/dbraw/zinc/41/56/15/1324415615.db2.gz FYAUCCBRJIHFNT-PKOBYXMFSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001492315788 1324415727 /nfs/dbraw/zinc/41/57/27/1324415727.db2.gz FYAUCCBRJIHFNT-HKUYNNGSSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1ccccc1 ZINC001492315788 1324415730 /nfs/dbraw/zinc/41/57/30/1324415730.db2.gz FYAUCCBRJIHFNT-HKUYNNGSSA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)C1 ZINC001316949505 1325406905 /nfs/dbraw/zinc/40/69/05/1325406905.db2.gz UBVBDIGLOLSODV-QZTJIDSGSA-N 1 3 341.515 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)C1 ZINC001316949505 1325406907 /nfs/dbraw/zinc/40/69/07/1325406907.db2.gz UBVBDIGLOLSODV-QZTJIDSGSA-N 1 3 341.515 2.829 20 0 EFADHO Cc1cc(C[NH2+]CCCCN2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC001321649284 1329400977 /nfs/dbraw/zinc/40/09/77/1329400977.db2.gz AKLUAPJKMCNRNU-UHFFFAOYSA-N 1 3 341.503 2.719 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001322797328 1329488876 /nfs/dbraw/zinc/48/88/76/1329488876.db2.gz UVHITYGGRUMQJS-QGZVFWFLSA-N 1 3 339.911 2.864 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001381223315 1348150178 /nfs/dbraw/zinc/15/01/78/1348150178.db2.gz QTJGLGLYXNPNNF-GUYCJALGSA-N 1 3 341.446 2.535 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC001326751263 1330358991 /nfs/dbraw/zinc/35/89/91/1330358991.db2.gz UENBBTBNTSPFDZ-AZUAARDMSA-N 1 3 344.503 2.675 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]C[C@H]3CC3(Cl)Cl)c2)CC1 ZINC001331053282 1330789209 /nfs/dbraw/zinc/78/92/09/1330789209.db2.gz OOXWVCRGKPOYLL-MRXNPFEDSA-N 1 3 342.314 2.717 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001333140352 1331083510 /nfs/dbraw/zinc/08/35/10/1331083510.db2.gz FXCXLKVSNBYLNF-RUXDESIVSA-N 1 3 337.430 2.638 20 0 EFADHO CCc1cccc(C[N@H+]2CC=C(CNC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001333364939 1331126235 /nfs/dbraw/zinc/12/62/35/1331126235.db2.gz JIYGBHATUAYSSJ-HXUWFJFHSA-N 1 3 343.515 2.838 20 0 EFADHO CCc1cccc(C[N@@H+]2CC=C(CNC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001333364939 1331126240 /nfs/dbraw/zinc/12/62/40/1331126240.db2.gz JIYGBHATUAYSSJ-HXUWFJFHSA-N 1 3 343.515 2.838 20 0 EFADHO O=C(CCNC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(F)c1 ZINC001335461005 1331351563 /nfs/dbraw/zinc/35/15/63/1331351563.db2.gz SPTODHWUPQQYOT-INIZCTEOSA-N 1 3 333.451 2.866 20 0 EFADHO O=C(CCNC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc(F)c1 ZINC001335461005 1331351571 /nfs/dbraw/zinc/35/15/71/1331351571.db2.gz SPTODHWUPQQYOT-INIZCTEOSA-N 1 3 333.451 2.866 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001340283577 1332166215 /nfs/dbraw/zinc/16/62/15/1332166215.db2.gz NEWLIFVOZGPVPM-HNAYVOBHSA-N 1 3 346.519 2.919 20 0 EFADHO C[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CN(C)C ZINC001346223892 1332613484 /nfs/dbraw/zinc/61/34/84/1332613484.db2.gz AQWUJNDXPVGNJM-GFCCVEGCSA-N 1 3 342.281 2.565 20 0 EFADHO C[C@H](CNCCC(=O)Nc1cccc(Br)c1)C[NH+](C)C ZINC001346223892 1332613488 /nfs/dbraw/zinc/61/34/88/1332613488.db2.gz AQWUJNDXPVGNJM-GFCCVEGCSA-N 1 3 342.281 2.565 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)C1CCN(C/C=C\c2ccccc2)CC1 ZINC001479891559 1332780982 /nfs/dbraw/zinc/78/09/82/1332780982.db2.gz WBLSZPCGGQYVLM-XFFZJAGNSA-N 1 3 343.515 2.964 20 0 EFADHO O=C(CN1CCCC2(CC[NH2+]CC2)C1)NCCCC1CCCCC1 ZINC001349389996 1332946460 /nfs/dbraw/zinc/94/64/60/1332946460.db2.gz QSJKWSCUKUQTTD-UHFFFAOYSA-N 1 3 335.536 2.929 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001001750653 1333437951 /nfs/dbraw/zinc/43/79/51/1333437951.db2.gz DPCRGXCNWHVKER-ROUUACIJSA-N 1 3 341.515 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001001750653 1333437953 /nfs/dbraw/zinc/43/79/53/1333437953.db2.gz DPCRGXCNWHVKER-ROUUACIJSA-N 1 3 341.515 2.685 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)Cc3ccco3)CC2)CC1 ZINC000847333614 1333561613 /nfs/dbraw/zinc/56/16/13/1333561613.db2.gz AEPLHXNQRSEVDX-MRXNPFEDSA-N 1 3 347.503 2.523 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCCN1CCc1ccccc1F ZINC001480324950 1333629913 /nfs/dbraw/zinc/62/99/13/1333629913.db2.gz RWGQCZKRAAIABZ-SFHVURJKSA-N 1 3 349.494 2.681 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911218 1333716776 /nfs/dbraw/zinc/71/67/76/1333716776.db2.gz NBSIZDDYFONECQ-QZTJIDSGSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911218 1333716785 /nfs/dbraw/zinc/71/67/85/1333716785.db2.gz NBSIZDDYFONECQ-QZTJIDSGSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943210 1333788191 /nfs/dbraw/zinc/78/81/91/1333788191.db2.gz PQLLUOAJUUNXTG-LJQANCHMSA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001100442396 1334118869 /nfs/dbraw/zinc/11/88/69/1334118869.db2.gz FMPNVUCDZGLLLV-BDVYOWHSSA-N 1 3 337.895 2.665 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]Cc2ccsc2)C1)N1CCCC1 ZINC001100562763 1334293861 /nfs/dbraw/zinc/29/38/61/1334293861.db2.gz YZVMATMPAAJQOZ-UHFFFAOYSA-N 1 3 335.517 2.607 20 0 EFADHO C[C@H](NC1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001100614411 1334407469 /nfs/dbraw/zinc/40/74/69/1334407469.db2.gz QXYYVZORQGONQM-FHERZECASA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H](NC1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001100614412 1334407587 /nfs/dbraw/zinc/40/75/87/1334407587.db2.gz QXYYVZORQGONQM-QQFBHYJXSA-N 1 3 347.478 2.713 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1CC(NCc2ccccc2Cl)C1 ZINC001100619709 1334416344 /nfs/dbraw/zinc/41/63/44/1334416344.db2.gz DHEPQLWWOLUQAF-UHFFFAOYSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001100647351 1334482510 /nfs/dbraw/zinc/48/25/10/1334482510.db2.gz PRTFCWJMBJEVBM-SOAGJPPSSA-N 1 3 345.531 2.608 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001100675950 1334550149 /nfs/dbraw/zinc/55/01/49/1334550149.db2.gz DQMJRKASNYALNE-BELGNNRLSA-N 1 3 349.544 2.834 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001100675989 1334550170 /nfs/dbraw/zinc/55/01/70/1334550170.db2.gz GGLGOOPUJBKKBD-NXVRBGIVSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC001100678151 1334556161 /nfs/dbraw/zinc/55/61/61/1334556161.db2.gz AGDYCBANPGUYAS-IPJUCJBFSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001100678745 1334556614 /nfs/dbraw/zinc/55/66/14/1334556614.db2.gz VSEUGJDYVNRZEM-VMEOHVCESA-N 1 3 343.515 2.630 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678595 1334556812 /nfs/dbraw/zinc/55/68/12/1334556812.db2.gz QFYQKIOPPRHULO-VXESANQCSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001100678561 1334557022 /nfs/dbraw/zinc/55/70/22/1334557022.db2.gz PASVBHVGTQISAP-PPDQVPDSSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCCc3ccsc3)C2)C1 ZINC001100678639 1334557030 /nfs/dbraw/zinc/55/70/30/1334557030.db2.gz RSBVAJHZFWRBRU-FAEJEUNOSA-N 1 3 349.544 2.507 20 0 EFADHO CC(C)=CC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679853 1334559957 /nfs/dbraw/zinc/55/99/57/1334559957.db2.gz SHNZMRXNLBMIMK-RJYAGPCLSA-N 1 3 339.499 2.650 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001100683853 1334569772 /nfs/dbraw/zinc/56/97/72/1334569772.db2.gz VKAZAYGBDQAQSY-YIZWMMSDSA-N 1 3 343.924 2.726 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001100683482 1334568742 /nfs/dbraw/zinc/56/87/42/1334568742.db2.gz DMIGNWKPRQTCCK-MHJFOBGBSA-N 1 3 345.531 2.752 20 0 EFADHO C[C@H](C(=O)NCC1CC([NH2+]CCCCCF)C1)N1CCCCCC1 ZINC001100732244 1334691300 /nfs/dbraw/zinc/69/13/00/1334691300.db2.gz ZBDZTEMVHOYLFH-WWDZGPRUSA-N 1 3 341.515 2.875 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](C4CCCC4)CC3=O)C[C@H]2C1 ZINC001356055088 1334942683 /nfs/dbraw/zinc/94/26/83/1334942683.db2.gz AIDLLJDVNBPNSE-NCXUSEDFSA-N 1 3 333.520 2.645 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000849000919 1335033213 /nfs/dbraw/zinc/03/32/13/1335033213.db2.gz HWHOJXFYDJBKDQ-OXJNMPFZSA-N 1 3 346.519 2.862 20 0 EFADHO CC(C)OCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849057009 1335061765 /nfs/dbraw/zinc/06/17/65/1335061765.db2.gz MWBATAJWDSDEJZ-UHFFFAOYSA-N 1 3 332.492 2.580 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1COC(C)C ZINC000849059722 1335063480 /nfs/dbraw/zinc/06/34/80/1335063480.db2.gz HCTRFEFDXNFIPG-GOSISDBHSA-N 1 3 332.492 2.710 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)cc1 ZINC000849068109 1335068526 /nfs/dbraw/zinc/06/85/26/1335068526.db2.gz SZIXFQZTPUWSEH-MRXNPFEDSA-N 1 3 332.492 2.962 20 0 EFADHO CCC[C@@H](CCO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096580 1335075756 /nfs/dbraw/zinc/07/57/56/1335075756.db2.gz WMODCHHADSLWRX-KRWDZBQOSA-N 1 3 346.519 2.564 20 0 EFADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849096767 1335075852 /nfs/dbraw/zinc/07/58/52/1335075852.db2.gz RXUFOMAZZLUYGG-NSHDSACASA-N 1 3 330.354 2.863 20 0 EFADHO CCC(CC)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849102933 1335552276 /nfs/dbraw/zinc/55/22/76/1335552276.db2.gz WEZZRJZKHCCCJK-UHFFFAOYSA-N 1 3 346.519 2.970 20 0 EFADHO CCCCCCNC(=[NH2+])NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000849103915 1335552291 /nfs/dbraw/zinc/55/22/91/1335552291.db2.gz GETNHESHCQRCNO-IBGZPJMESA-N 1 3 346.519 2.972 20 0 EFADHO CC[NH+]1CCC(CN2CCN(Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC001414134797 1335642816 /nfs/dbraw/zinc/64/28/16/1335642816.db2.gz HMSLMPQFRMQISE-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001361648545 1336244596 /nfs/dbraw/zinc/24/45/96/1336244596.db2.gz ZZWZGULLFGOBTF-RBUKOAKNSA-N 1 3 337.552 2.980 20 0 EFADHO CN(CC(=O)N(CC[NH+](C)C)CC1CCCCC1)CC(C)(C)C ZINC001361680755 1336267695 /nfs/dbraw/zinc/26/76/95/1336267695.db2.gz DEMWRTWDLJWWPK-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001361852600 1336375562 /nfs/dbraw/zinc/37/55/62/1336375562.db2.gz CPVWIZJPDCBVHC-FGTMMUONSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001361852600 1336375567 /nfs/dbraw/zinc/37/55/67/1336375567.db2.gz CPVWIZJPDCBVHC-FGTMMUONSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001361860250 1336381082 /nfs/dbraw/zinc/38/10/82/1336381082.db2.gz BCSVRXNZOZIJTO-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001361860250 1336381086 /nfs/dbraw/zinc/38/10/86/1336381086.db2.gz BCSVRXNZOZIJTO-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC001362023043 1336468483 /nfs/dbraw/zinc/46/84/83/1336468483.db2.gz IFOMTJDCEPKDQE-MOPGFXCFSA-N 1 3 331.504 2.841 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)N(C)C)cc1 ZINC001362023043 1336468484 /nfs/dbraw/zinc/46/84/84/1336468484.db2.gz IFOMTJDCEPKDQE-MOPGFXCFSA-N 1 3 331.504 2.841 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC001362023051 1336468748 /nfs/dbraw/zinc/46/87/48/1336468748.db2.gz IFOMTJDCEPKDQE-RBUKOAKNSA-N 1 3 331.504 2.841 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)N(C)C)cc1 ZINC001362023051 1336468752 /nfs/dbraw/zinc/46/87/52/1336468752.db2.gz IFOMTJDCEPKDQE-RBUKOAKNSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109961 1336507447 /nfs/dbraw/zinc/50/74/47/1336507447.db2.gz MSVRZDZGEDHZKT-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109961 1336507450 /nfs/dbraw/zinc/50/74/50/1336507450.db2.gz MSVRZDZGEDHZKT-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362499009 1336634810 /nfs/dbraw/zinc/63/48/10/1336634810.db2.gz LRDXBWGRPZTHRL-YZGWKJHDSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362499009 1336634813 /nfs/dbraw/zinc/63/48/13/1336634813.db2.gz LRDXBWGRPZTHRL-YZGWKJHDSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498997 1336635013 /nfs/dbraw/zinc/63/50/13/1336635013.db2.gz LRDXBWGRPZTHRL-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498997 1336635016 /nfs/dbraw/zinc/63/50/16/1336635016.db2.gz LRDXBWGRPZTHRL-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001362522476 1336644820 /nfs/dbraw/zinc/64/48/20/1336644820.db2.gz SDRBYELJBHTYKC-QXAKKESOSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC001362522476 1336644821 /nfs/dbraw/zinc/64/48/21/1336644821.db2.gz SDRBYELJBHTYKC-QXAKKESOSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001362789192 1336742598 /nfs/dbraw/zinc/74/25/98/1336742598.db2.gz LNKFICQOPVQJLF-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001362789192 1336742599 /nfs/dbraw/zinc/74/25/99/1336742599.db2.gz LNKFICQOPVQJLF-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC001362797748 1336745895 /nfs/dbraw/zinc/74/58/95/1336745895.db2.gz FUVRSAFLOXWWHR-IBGZPJMESA-N 1 3 345.531 2.946 20 0 EFADHO COC(=O)[C@H]1CC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001363197155 1336827787 /nfs/dbraw/zinc/82/77/87/1336827787.db2.gz HXBXWBIUDRPERW-FQEVSTJZSA-N 1 3 344.499 2.826 20 0 EFADHO COC(=O)[C@H]1CC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001363197155 1336827791 /nfs/dbraw/zinc/82/77/91/1336827791.db2.gz HXBXWBIUDRPERW-FQEVSTJZSA-N 1 3 344.499 2.826 20 0 EFADHO CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC001363364175 1336894294 /nfs/dbraw/zinc/89/42/94/1336894294.db2.gz ONQMWEFNDHRTBB-WOJBJXKFSA-N 1 3 332.488 2.943 20 0 EFADHO CCc1cnc(CNCc2cccc(CN3CC[NH+](C)CC3)c2)s1 ZINC001363366387 1336895168 /nfs/dbraw/zinc/89/51/68/1336895168.db2.gz WCUXIARXKATFII-UHFFFAOYSA-N 1 3 344.528 2.743 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@H]3CCN(C(C)C)C3)CC2)c1 ZINC001363610379 1336953273 /nfs/dbraw/zinc/95/32/73/1336953273.db2.gz PUIKJCBFKFOPKE-GOSISDBHSA-N 1 3 343.515 2.920 20 0 EFADHO Cc1ccc(C)c([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC001363789066 1337048361 /nfs/dbraw/zinc/04/83/61/1337048361.db2.gz JFDKWESLFQFUAT-QGZVFWFLSA-N 1 3 331.504 2.943 20 0 EFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC[C@@H]1C ZINC001363874251 1337094481 /nfs/dbraw/zinc/09/44/81/1337094481.db2.gz JNSKYRAAQSEUPE-IRXDYDNUSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001364422834 1337186412 /nfs/dbraw/zinc/18/64/12/1337186412.db2.gz LXVDHYHNUYZPFX-YVWKXTFCSA-N 1 3 331.504 2.964 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001364590241 1337194290 /nfs/dbraw/zinc/19/42/90/1337194290.db2.gz BFICGERVFSTNEJ-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC001364590241 1337194292 /nfs/dbraw/zinc/19/42/92/1337194292.db2.gz BFICGERVFSTNEJ-HXUWFJFHSA-N 1 3 340.467 2.942 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cccc1C ZINC001365799845 1337249764 /nfs/dbraw/zinc/24/97/64/1337249764.db2.gz CZZWCHPZAPUERU-GOSISDBHSA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cccc1C ZINC001365799845 1337249768 /nfs/dbraw/zinc/24/97/68/1337249768.db2.gz CZZWCHPZAPUERU-GOSISDBHSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)c(CN2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001365983278 1337299907 /nfs/dbraw/zinc/29/99/07/1337299907.db2.gz LPJNDLDZTBXULA-SFHVURJKSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001366245385 1337474494 /nfs/dbraw/zinc/47/44/94/1337474494.db2.gz DIAMPAOLJZBTBS-OOHWJJMZSA-N 1 3 334.508 2.960 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001366325853 1337513854 /nfs/dbraw/zinc/51/38/54/1337513854.db2.gz RCLFLLILRJNOPN-RHSMWYFYSA-N 1 3 339.911 2.563 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001366344757 1337524252 /nfs/dbraw/zinc/52/42/52/1337524252.db2.gz IDSNKFNVCIUTLA-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO Cc1nc(C(C)C)ccc1CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366385012 1337551834 /nfs/dbraw/zinc/55/18/34/1337551834.db2.gz GSIIVQZWWDATJP-SFHVURJKSA-N 1 3 346.519 2.546 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001366425971 1337575877 /nfs/dbraw/zinc/57/58/77/1337575877.db2.gz IBGBXWCLVZQXEV-MOPGFXCFSA-N 1 3 331.504 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001366494883 1337635859 /nfs/dbraw/zinc/63/58/59/1337635859.db2.gz BVQLVQOGRMRLKB-SJKOYZFVSA-N 1 3 344.434 2.572 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)Cc2nc[nH]c2C)c(C)s1 ZINC001366500231 1337641587 /nfs/dbraw/zinc/64/15/87/1337641587.db2.gz WXHWCEOLHNNGQS-LLVKDONJSA-N 1 3 334.489 2.624 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001366510449 1337651174 /nfs/dbraw/zinc/65/11/74/1337651174.db2.gz OJHZESXOLZFSPO-IUODEOHRSA-N 1 3 345.940 2.972 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366538412 1337673323 /nfs/dbraw/zinc/67/33/23/1337673323.db2.gz WFSBLEANVPEFDM-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366538412 1337673327 /nfs/dbraw/zinc/67/33/27/1337673327.db2.gz WFSBLEANVPEFDM-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2)CC(C)(C)C ZINC001366567362 1337702356 /nfs/dbraw/zinc/70/23/56/1337702356.db2.gz USVOZSOIRUKNLV-UHFFFAOYSA-N 1 3 345.531 2.701 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2)CC(C)(C)C ZINC001366567362 1337702361 /nfs/dbraw/zinc/70/23/61/1337702361.db2.gz USVOZSOIRUKNLV-UHFFFAOYSA-N 1 3 345.531 2.701 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001366575386 1337712490 /nfs/dbraw/zinc/71/24/90/1337712490.db2.gz PCRQQWMFIZAMTK-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)c(C)c1 ZINC001366616273 1337754994 /nfs/dbraw/zinc/75/49/94/1337754994.db2.gz KEKYKAUZHIUIGK-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)c(C)c1 ZINC001366616273 1337754995 /nfs/dbraw/zinc/75/49/95/1337754995.db2.gz KEKYKAUZHIUIGK-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCc2c1cccc2F ZINC001366616994 1337756450 /nfs/dbraw/zinc/75/64/50/1337756450.db2.gz RRFKNCITMUTTEQ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCc2c1cccc2F ZINC001366616994 1337756454 /nfs/dbraw/zinc/75/64/54/1337756454.db2.gz RRFKNCITMUTTEQ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1ccccc1 ZINC001366621367 1337762235 /nfs/dbraw/zinc/76/22/35/1337762235.db2.gz RFZVEMOIZCVZNW-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1ccccc1 ZINC001366621367 1337762237 /nfs/dbraw/zinc/76/22/37/1337762237.db2.gz RFZVEMOIZCVZNW-LJQANCHMSA-N 1 3 331.504 2.745 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001366628611 1337770076 /nfs/dbraw/zinc/77/00/76/1337770076.db2.gz DCPOCTLVSRAVCC-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001366628611 1337770077 /nfs/dbraw/zinc/77/00/77/1337770077.db2.gz DCPOCTLVSRAVCC-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001366670526 1337835287 /nfs/dbraw/zinc/83/52/87/1337835287.db2.gz UIGVIBHVKQKQLH-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001366670529 1337835545 /nfs/dbraw/zinc/83/55/45/1337835545.db2.gz UIGVIBHVKQKQLH-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1)N(C)C ZINC001366707163 1337901364 /nfs/dbraw/zinc/90/13/64/1337901364.db2.gz YZFAAZMOOFCIAW-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)N(C)C ZINC001366707163 1337901365 /nfs/dbraw/zinc/90/13/65/1337901365.db2.gz YZFAAZMOOFCIAW-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001366758215 1337977178 /nfs/dbraw/zinc/97/71/78/1337977178.db2.gz XGVQABURUNHVJE-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001366769344 1337990331 /nfs/dbraw/zinc/99/03/31/1337990331.db2.gz ONLOFBXNNJXSOK-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366828321 1338080302 /nfs/dbraw/zinc/08/03/02/1338080302.db2.gz GAVWFRQJRSRFDN-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366828321 1338080308 /nfs/dbraw/zinc/08/03/08/1338080308.db2.gz GAVWFRQJRSRFDN-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2F)C1)N(C)C ZINC001366832518 1338086566 /nfs/dbraw/zinc/08/65/66/1338086566.db2.gz WJHOFEBVVDWAFV-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2F)C1)N(C)C ZINC001366832518 1338086570 /nfs/dbraw/zinc/08/65/70/1338086570.db2.gz WJHOFEBVVDWAFV-LPHOPBHVSA-N 1 3 349.494 2.740 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001366882247 1338159561 /nfs/dbraw/zinc/15/95/61/1338159561.db2.gz RWJLRXWOIKVAJX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001366882247 1338159565 /nfs/dbraw/zinc/15/95/65/1338159565.db2.gz RWJLRXWOIKVAJX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001366976069 1338234493 /nfs/dbraw/zinc/23/44/93/1338234493.db2.gz ILRIUZIGPNITDQ-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001366987182 1338245080 /nfs/dbraw/zinc/24/50/80/1338245080.db2.gz QNMNOISMZYZOHB-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C)c1CN1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001366988500 1338245821 /nfs/dbraw/zinc/24/58/21/1338245821.db2.gz JSQAHLUURXNRIA-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO Cc1ccccc1CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001366998228 1338254742 /nfs/dbraw/zinc/25/47/42/1338254742.db2.gz WHDODWZVYQSKFV-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001366999137 1338256411 /nfs/dbraw/zinc/25/64/11/1338256411.db2.gz YXTVTCHRDBJMPI-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cc1 ZINC001367020440 1338277430 /nfs/dbraw/zinc/27/74/30/1338277430.db2.gz XFXYFLNNSJCIAE-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001367035362 1338295653 /nfs/dbraw/zinc/29/56/53/1338295653.db2.gz OIXHTPVWXHFHRH-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001367035362 1338295656 /nfs/dbraw/zinc/29/56/56/1338295656.db2.gz OIXHTPVWXHFHRH-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001367136621 1338427888 /nfs/dbraw/zinc/42/78/88/1338427888.db2.gz VENCJLMGBWUJSM-FUHWJXTLSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccc(Cl)cc1 ZINC001367139381 1338431212 /nfs/dbraw/zinc/43/12/12/1338431212.db2.gz VTGJVLOLCLWWML-MRXNPFEDSA-N 1 3 348.878 2.641 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cc(F)ccc2C)CCCC1)N(C)C ZINC001367162300 1338460835 /nfs/dbraw/zinc/46/08/35/1338460835.db2.gz BYZDJBNWZCDSMT-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(OC)c2)CCCC1)N(C)C ZINC001367165012 1338464491 /nfs/dbraw/zinc/46/44/91/1338464491.db2.gz WFFISESBEFNMBC-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@@H]1CCCC[C@@]1(CNCc1ccccn1)NC(=O)CCC[NH+](C)C ZINC001367201319 1338508619 /nfs/dbraw/zinc/50/86/19/1338508619.db2.gz YIYXPYABDCIQFP-XLIONFOSSA-N 1 3 346.519 2.578 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001367222268 1338530804 /nfs/dbraw/zinc/53/08/04/1338530804.db2.gz ZZTJXWHHZYBUTI-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)CC(C)(C)C ZINC001367222082 1338530971 /nfs/dbraw/zinc/53/09/71/1338530971.db2.gz WJWYQXSASREOJV-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001367226120 1338534972 /nfs/dbraw/zinc/53/49/72/1338534972.db2.gz UHPXORHWKMZPIF-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CCC(F)(F)F)C2)CC1 ZINC001367227846 1338535614 /nfs/dbraw/zinc/53/56/14/1338535614.db2.gz BRPLUXWUIVARGF-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC001367227846 1338535616 /nfs/dbraw/zinc/53/56/16/1338535616.db2.gz BRPLUXWUIVARGF-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367260600 1338560432 /nfs/dbraw/zinc/56/04/32/1338560432.db2.gz MBRZPSODFHRYPQ-PKOBYXMFSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1csc(C)c1 ZINC001367260975 1338560851 /nfs/dbraw/zinc/56/08/51/1338560851.db2.gz NBTZPPOZUCGXRA-WMLDXEAASA-N 1 3 337.533 2.773 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001367293187 1338593445 /nfs/dbraw/zinc/59/34/45/1338593445.db2.gz VGQSPJVBXNFPMR-WMLDXEAASA-N 1 3 328.460 2.754 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367293189 1338593466 /nfs/dbraw/zinc/59/34/66/1338593466.db2.gz TXMYAUOBYANHFC-DOMZBBRYSA-N 1 3 345.940 2.830 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCCC1)N(C)C ZINC001367325538 1338624050 /nfs/dbraw/zinc/62/40/50/1338624050.db2.gz WRYFPHVKZBZYRJ-LJQANCHMSA-N 1 3 345.531 2.834 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCCC1)N(C)C ZINC001367329331 1338629674 /nfs/dbraw/zinc/62/96/74/1338629674.db2.gz XQGHRHXYNUYVQU-OAHLLOKOSA-N 1 3 345.478 2.637 20 0 EFADHO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001367389584 1338686668 /nfs/dbraw/zinc/68/66/68/1338686668.db2.gz ZLSOAZMIQRRHFM-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367400158 1338697987 /nfs/dbraw/zinc/69/79/87/1338697987.db2.gz MDKJVJQFWFUMJO-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367400161 1338698068 /nfs/dbraw/zinc/69/80/68/1338698068.db2.gz MDKJVJQFWFUMJO-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO CC(C)C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367411682 1338708952 /nfs/dbraw/zinc/70/89/52/1338708952.db2.gz MYZRMGYBJSMUMZ-HNNXBMFYSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001367478235 1338777576 /nfs/dbraw/zinc/77/75/76/1338777576.db2.gz HQBLYXDNNYRUQO-BEFAXECRSA-N 1 3 349.494 2.959 20 0 EFADHO Cc1cc(F)ccc1CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367536126 1338839419 /nfs/dbraw/zinc/83/94/19/1338839419.db2.gz PKJIYJWEKHCPFP-GOSISDBHSA-N 1 3 337.483 2.611 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001367548406 1338857641 /nfs/dbraw/zinc/85/76/41/1338857641.db2.gz UYLCDZUGHUXGJD-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001367548406 1338857643 /nfs/dbraw/zinc/85/76/43/1338857643.db2.gz UYLCDZUGHUXGJD-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367647589 1338902755 /nfs/dbraw/zinc/90/27/55/1338902755.db2.gz KAZLDMGRJCEBKQ-BFYDXBDKSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367647589 1338902768 /nfs/dbraw/zinc/90/27/68/1338902768.db2.gz KAZLDMGRJCEBKQ-BFYDXBDKSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2Cl)NC(=O)C1(N(C)C)CCC1 ZINC001367675183 1338920173 /nfs/dbraw/zinc/92/01/73/1338920173.db2.gz MNYXKJLRUNSVQG-CXAGYDPISA-N 1 3 349.906 2.906 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001367713576 1338952334 /nfs/dbraw/zinc/95/23/34/1338952334.db2.gz CZPKZHUQPBMBJJ-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001367902395 1339095342 /nfs/dbraw/zinc/09/53/42/1339095342.db2.gz PWNYAZLGPJTNKP-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3cccc(Cl)c3)CC2)CCC1 ZINC001368000878 1339151414 /nfs/dbraw/zinc/15/14/14/1339151414.db2.gz CIZMWCKZIXRGFT-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccccc3C3CC3)CC2)CC[N@@H+]1C ZINC001368004332 1339153366 /nfs/dbraw/zinc/15/33/66/1339153366.db2.gz XZYXFRFXLCRBTN-CRAIPNDOSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccccc3C3CC3)CC2)CC[N@H+]1C ZINC001368004332 1339153368 /nfs/dbraw/zinc/15/33/68/1339153368.db2.gz XZYXFRFXLCRBTN-CRAIPNDOSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC001368007588 1339154879 /nfs/dbraw/zinc/15/48/79/1339154879.db2.gz OFEPLEJONLBPSM-SFHVURJKSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001368036695 1339168931 /nfs/dbraw/zinc/16/89/31/1339168931.db2.gz MXNFGTXCDCWUHL-IBWPDUFMSA-N 1 3 329.488 2.524 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C/C=C/Cl)C2CCCCCC2)C1 ZINC001368052161 1339178106 /nfs/dbraw/zinc/17/81/06/1339178106.db2.gz SWORHBVNGCKMKJ-VGZDNEPHSA-N 1 3 341.927 2.832 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C/C=C/Cl)C2CCCCCC2)C1 ZINC001368052161 1339178108 /nfs/dbraw/zinc/17/81/08/1339178108.db2.gz SWORHBVNGCKMKJ-VGZDNEPHSA-N 1 3 341.927 2.832 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001368162801 1339228183 /nfs/dbraw/zinc/22/81/83/1339228183.db2.gz OHPDWMIRBZYRBZ-IBGZPJMESA-N 1 3 347.478 2.579 20 0 EFADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001368217794 1339265115 /nfs/dbraw/zinc/26/51/15/1339265115.db2.gz MGWSVLFPMHPFID-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C1(C(=O)NC[C@]2(C)CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001368217794 1339265118 /nfs/dbraw/zinc/26/51/18/1339265118.db2.gz MGWSVLFPMHPFID-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cccc(CC)c2)C1 ZINC001368330668 1339301238 /nfs/dbraw/zinc/30/12/38/1339301238.db2.gz BAANJZGRLLMJMV-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001368428612 1339363294 /nfs/dbraw/zinc/36/32/94/1339363294.db2.gz YXHRVMOPKUWEQD-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001368428623 1339363757 /nfs/dbraw/zinc/36/37/57/1339363757.db2.gz YXHRVMOPKUWEQD-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)c1 ZINC001368472885 1339408755 /nfs/dbraw/zinc/40/87/55/1339408755.db2.gz HREAZXJTVQQTAJ-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001368478847 1339415861 /nfs/dbraw/zinc/41/58/61/1339415861.db2.gz BZGSKRCNAMUYNM-DKKFBQAASA-N 1 3 331.504 2.818 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001368478850 1339415913 /nfs/dbraw/zinc/41/59/13/1339415913.db2.gz BZGSKRCNAMUYNM-FPAYPSAMSA-N 1 3 331.504 2.818 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H](CC)N(C)C)CCC1 ZINC001368493064 1339431063 /nfs/dbraw/zinc/43/10/63/1339431063.db2.gz HXGCXJBFZOLFNM-SFHVURJKSA-N 1 3 331.504 2.718 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001368500406 1339438284 /nfs/dbraw/zinc/43/82/84/1339438284.db2.gz KWIHZUVXFCWDJA-KKHDSEBOSA-N 1 3 329.488 2.524 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368518123 1339452831 /nfs/dbraw/zinc/45/28/31/1339452831.db2.gz QVEOXKBCMRZEBS-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368518123 1339452834 /nfs/dbraw/zinc/45/28/34/1339452834.db2.gz QVEOXKBCMRZEBS-MSOLQXFVSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001368517566 1339452993 /nfs/dbraw/zinc/45/29/93/1339452993.db2.gz UJTSVYVSWAUGLZ-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001368517566 1339452995 /nfs/dbraw/zinc/45/29/95/1339452995.db2.gz UJTSVYVSWAUGLZ-ROUUACIJSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001368518409 1339454839 /nfs/dbraw/zinc/45/48/39/1339454839.db2.gz COBZPECLGUVLAS-BSXFFOKHSA-N 1 3 335.467 2.711 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368523942 1339460920 /nfs/dbraw/zinc/46/09/20/1339460920.db2.gz NQYSODWNDFUKRU-RNIPGJKVSA-N 1 3 331.504 2.881 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001368527981 1339465585 /nfs/dbraw/zinc/46/55/85/1339465585.db2.gz OYENEXCNTYLDQA-JEWRLFTDSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368529154 1339466523 /nfs/dbraw/zinc/46/65/23/1339466523.db2.gz SYKGYNQJGMUZIE-WSTZPKSXSA-N 1 3 345.531 2.874 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368531446 1339468857 /nfs/dbraw/zinc/46/88/57/1339468857.db2.gz ICDIVSAUWAZYGI-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368531446 1339468859 /nfs/dbraw/zinc/46/88/59/1339468859.db2.gz ICDIVSAUWAZYGI-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)C/C=C\c2ccccc2)CCC1 ZINC001368546601 1339484840 /nfs/dbraw/zinc/48/48/40/1339484840.db2.gz MGNZBQJZMCVNLA-JYRVWZFOSA-N 1 3 343.515 2.964 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)C/C=C\c2ccccc2)CCC1 ZINC001368546601 1339484846 /nfs/dbraw/zinc/48/48/46/1339484846.db2.gz MGNZBQJZMCVNLA-JYRVWZFOSA-N 1 3 343.515 2.964 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccccc2)CC1 ZINC001368557325 1339500006 /nfs/dbraw/zinc/50/00/06/1339500006.db2.gz GXDKXTLQPSRMDI-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC001368557325 1339500008 /nfs/dbraw/zinc/50/00/08/1339500008.db2.gz GXDKXTLQPSRMDI-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559662 1339503499 /nfs/dbraw/zinc/50/34/99/1339503499.db2.gz LOPMNVFKWCJHON-IRXDYDNUSA-N 1 3 334.508 2.949 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559662 1339503503 /nfs/dbraw/zinc/50/35/03/1339503503.db2.gz LOPMNVFKWCJHON-IRXDYDNUSA-N 1 3 334.508 2.949 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001368567481 1339516244 /nfs/dbraw/zinc/51/62/44/1339516244.db2.gz YPFFMCWLOMLECV-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001368567481 1339516247 /nfs/dbraw/zinc/51/62/47/1339516247.db2.gz YPFFMCWLOMLECV-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368590667 1339536468 /nfs/dbraw/zinc/53/64/68/1339536468.db2.gz NQYSODWNDFUKRU-CAMMJAKZSA-N 1 3 331.504 2.881 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001368714769 1339634615 /nfs/dbraw/zinc/63/46/15/1339634615.db2.gz YGQJFBDLXCDDMZ-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001368714769 1339634617 /nfs/dbraw/zinc/63/46/17/1339634617.db2.gz YGQJFBDLXCDDMZ-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001369150304 1339944561 /nfs/dbraw/zinc/94/45/61/1339944561.db2.gz JBDAOFGWTMQZSL-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001369150304 1339944564 /nfs/dbraw/zinc/94/45/64/1339944564.db2.gz JBDAOFGWTMQZSL-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001370481610 1340095565 /nfs/dbraw/zinc/09/55/65/1340095565.db2.gz FDSYLRHVHVAXGY-OHHBCXFOSA-N 1 3 347.478 2.636 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1)N(C)C ZINC001370517647 1340112082 /nfs/dbraw/zinc/11/20/82/1340112082.db2.gz BEKIKTDWHFDJQY-DZKIICNBSA-N 1 3 341.858 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001370543765 1340126296 /nfs/dbraw/zinc/12/62/96/1340126296.db2.gz ASFCVEPWGQGRFB-MJFSBKNWSA-N 1 3 339.430 2.603 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC001370754194 1340199056 /nfs/dbraw/zinc/19/90/56/1340199056.db2.gz QMVJRIZHENGHFF-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC001370754194 1340199060 /nfs/dbraw/zinc/19/90/60/1340199060.db2.gz QMVJRIZHENGHFF-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001370774263 1340204105 /nfs/dbraw/zinc/20/41/05/1340204105.db2.gz ITSGQNNNFASYQX-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001370774263 1340204110 /nfs/dbraw/zinc/20/41/10/1340204110.db2.gz ITSGQNNNFASYQX-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001370776565 1340205197 /nfs/dbraw/zinc/20/51/97/1340205197.db2.gz AJXXIUYLHQBYEO-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001370776565 1340205199 /nfs/dbraw/zinc/20/51/99/1340205199.db2.gz AJXXIUYLHQBYEO-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001370905493 1340274073 /nfs/dbraw/zinc/27/40/73/1340274073.db2.gz FEDHUIWTSOKZJF-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001371178557 1340396775 /nfs/dbraw/zinc/39/67/75/1340396775.db2.gz MOEFEASZPZKRKU-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001371197143 1340409200 /nfs/dbraw/zinc/40/92/00/1340409200.db2.gz ANOZUMFZAQRJST-STQMWFEESA-N 1 3 339.430 2.604 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001371197752 1340409887 /nfs/dbraw/zinc/40/98/87/1340409887.db2.gz BXRDOKDARCJPNK-HZPDHXFCSA-N 1 3 343.515 2.815 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001371197808 1340410064 /nfs/dbraw/zinc/41/00/64/1340410064.db2.gz COCHXMCHAMBSAN-AWEZNQCLSA-N 1 3 329.444 2.511 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001371199262 1340410585 /nfs/dbraw/zinc/41/05/85/1340410585.db2.gz IDLDXEUMAWBABV-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC001371407256 1340566104 /nfs/dbraw/zinc/56/61/04/1340566104.db2.gz KWSRAHJHQDNRRN-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC001371404118 1340563633 /nfs/dbraw/zinc/56/36/33/1340563633.db2.gz DUGICLZYEKPEJM-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC001371404118 1340563636 /nfs/dbraw/zinc/56/36/36/1340563636.db2.gz DUGICLZYEKPEJM-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1ccc(Cl)c(Cl)c1 ZINC001371407256 1340566101 /nfs/dbraw/zinc/56/61/01/1340566101.db2.gz KWSRAHJHQDNRRN-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001371432454 1340587195 /nfs/dbraw/zinc/58/71/95/1340587195.db2.gz TYDDOPAESZKPAG-BEFAXECRSA-N 1 3 331.504 2.745 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001371546301 1340638060 /nfs/dbraw/zinc/63/80/60/1340638060.db2.gz VTMHCVLLCPOIJL-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001371546301 1340638063 /nfs/dbraw/zinc/63/80/63/1340638063.db2.gz VTMHCVLLCPOIJL-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001371621901 1340680219 /nfs/dbraw/zinc/68/02/19/1340680219.db2.gz SEUVLISIOMMXEN-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001371870302 1340731922 /nfs/dbraw/zinc/73/19/22/1340731922.db2.gz QGNBORVZIZABLB-GDBMZVCRSA-N 1 3 347.494 2.883 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)cc1C ZINC001372808341 1340811156 /nfs/dbraw/zinc/81/11/56/1340811156.db2.gz KXBVCHCAJYLKBU-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)cc1C ZINC001372808341 1340811158 /nfs/dbraw/zinc/81/11/58/1340811158.db2.gz KXBVCHCAJYLKBU-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO CN(CC(=O)NCC[N@H+](Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001372856021 1340843790 /nfs/dbraw/zinc/84/37/90/1340843790.db2.gz FJCYUPSISWZNFI-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CN(CC(=O)NCC[N@@H+](Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001372856021 1340843796 /nfs/dbraw/zinc/84/37/96/1340843796.db2.gz FJCYUPSISWZNFI-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373314988 1340987634 /nfs/dbraw/zinc/98/76/34/1340987634.db2.gz HDPWQPRXJLYZMM-IEBWSBKVSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001373314988 1340987635 /nfs/dbraw/zinc/98/76/35/1340987635.db2.gz HDPWQPRXJLYZMM-IEBWSBKVSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001373329857 1340993355 /nfs/dbraw/zinc/99/33/55/1340993355.db2.gz KDZIMMCBGRERPE-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001373329857 1340993356 /nfs/dbraw/zinc/99/33/56/1340993356.db2.gz KDZIMMCBGRERPE-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001373385395 1341007585 /nfs/dbraw/zinc/00/75/85/1341007585.db2.gz FRHFKFDAQXSKTQ-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001373385395 1341007587 /nfs/dbraw/zinc/00/75/87/1341007587.db2.gz FRHFKFDAQXSKTQ-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001373512843 1341041721 /nfs/dbraw/zinc/04/17/21/1341041721.db2.gz GFEKFXROERURSB-FQEVSTJZSA-N 1 3 345.531 2.562 20 0 EFADHO CC[C@@H](C(=O)NCC1C[NH+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001373537916 1341047584 /nfs/dbraw/zinc/04/75/84/1341047584.db2.gz LKFPUVWJPQSRKG-IBGZPJMESA-N 1 3 331.504 2.698 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001373757285 1341136519 /nfs/dbraw/zinc/13/65/19/1341136519.db2.gz FZWOMEAYIHZCEH-HCWHUNCVSA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001373788944 1341147762 /nfs/dbraw/zinc/14/77/62/1341147762.db2.gz BKXVTPWZVDJGJV-RBUKOAKNSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1F)C1CC1)N(C)C ZINC001373889683 1341190183 /nfs/dbraw/zinc/19/01/83/1341190183.db2.gz RICXHYDDSDREIO-HKUYNNGSSA-N 1 3 335.467 2.540 20 0 EFADHO C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001373913828 1341201077 /nfs/dbraw/zinc/20/10/77/1341201077.db2.gz ZHECXMCOYGOZRK-DLBZAZTESA-N 1 3 340.471 2.932 20 0 EFADHO C[C@H](NC[C@H]1CCCN1C(=O)CCC[NH+](C)C)c1ccccc1F ZINC001373967991 1341261991 /nfs/dbraw/zinc/26/19/91/1341261991.db2.gz ZTOYXABLUABICX-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccccc1F ZINC001374016109 1341304738 /nfs/dbraw/zinc/30/47/38/1341304738.db2.gz SSCDUKPIWKFJBB-MRXNPFEDSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccccc1F ZINC001374016104 1341304754 /nfs/dbraw/zinc/30/47/54/1341304754.db2.gz SSCDUKPIWKFJBB-INIZCTEOSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001374069823 1341360743 /nfs/dbraw/zinc/36/07/43/1341360743.db2.gz CIIPQGCUZYPBPY-UONOGXRCSA-N 1 3 337.533 2.549 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1C ZINC001391627013 1355372744 /nfs/dbraw/zinc/37/27/44/1355372744.db2.gz YHYUZHKJBGPCSR-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001374078264 1341371433 /nfs/dbraw/zinc/37/14/33/1341371433.db2.gz NSZIXSSTVLZFAE-PBHICJAKSA-N 1 3 331.460 2.615 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001374098905 1341402680 /nfs/dbraw/zinc/40/26/80/1341402680.db2.gz PNMXVLMPPMSLER-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374102309 1341406818 /nfs/dbraw/zinc/40/68/18/1341406818.db2.gz ZCFXWRLRKIFZRB-BBRMVZONSA-N 1 3 325.884 2.522 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CCCC1)N(C)C ZINC001374171258 1341504437 /nfs/dbraw/zinc/50/44/37/1341504437.db2.gz DJOUMSAKMBQURM-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO C[NH+]1CCC(C(=O)NCC2(NCC=C(Cl)Cl)CCCC2)CC1 ZINC001374175587 1341512075 /nfs/dbraw/zinc/51/20/75/1341512075.db2.gz LCTOCWUHVLBEGE-UHFFFAOYSA-N 1 3 348.318 2.666 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001374236046 1341589842 /nfs/dbraw/zinc/58/98/42/1341589842.db2.gz WDNBJDPTJVCSMN-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374239545 1341595191 /nfs/dbraw/zinc/59/51/91/1341595191.db2.gz BLMNKGABNYBGSH-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001374284028 1341657652 /nfs/dbraw/zinc/65/76/52/1341657652.db2.gz CYXIKRDCRLWWDQ-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC(CCN(C)C/C=C\Cl)CC1 ZINC001392196916 1355853544 /nfs/dbraw/zinc/85/35/44/1355853544.db2.gz XTVIJHRCHKNRDL-YHYXMXQVSA-N 1 3 329.916 2.641 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC(CCN(C)C/C=C\Cl)CC1 ZINC001392196916 1355853546 /nfs/dbraw/zinc/85/35/46/1355853546.db2.gz XTVIJHRCHKNRDL-YHYXMXQVSA-N 1 3 329.916 2.641 20 0 EFADHO C[C@H]([NH2+]CCF)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001374392050 1341847018 /nfs/dbraw/zinc/84/70/18/1341847018.db2.gz JSGAQONKVCONIK-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001374423171 1341904364 /nfs/dbraw/zinc/90/43/64/1341904364.db2.gz FNCRTVXZLJXRGE-JSGCOSHPSA-N 1 3 338.323 2.622 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001374431557 1341914003 /nfs/dbraw/zinc/91/40/03/1341914003.db2.gz MVVPSBFAWGURSK-MAUKXSAKSA-N 1 3 349.494 2.959 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1csc(C)c1)C(C)C)N(C)C ZINC001374442130 1341926326 /nfs/dbraw/zinc/92/63/26/1341926326.db2.gz ATQOCKOIKOTLMO-HOTGVXAUSA-N 1 3 325.522 2.627 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001374490205 1341968719 /nfs/dbraw/zinc/96/87/19/1341968719.db2.gz DQSWUGUJLKXRLY-LJQANCHMSA-N 1 3 349.494 2.919 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001374490205 1341968720 /nfs/dbraw/zinc/96/87/20/1341968720.db2.gz DQSWUGUJLKXRLY-LJQANCHMSA-N 1 3 349.494 2.919 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001374498638 1341982714 /nfs/dbraw/zinc/98/27/14/1341982714.db2.gz FXVLBVNSQSRJLK-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001374498638 1341982717 /nfs/dbraw/zinc/98/27/17/1341982717.db2.gz FXVLBVNSQSRJLK-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001374530151 1342026586 /nfs/dbraw/zinc/02/65/86/1342026586.db2.gz LJUBKAFAVURFHK-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374545948 1342050822 /nfs/dbraw/zinc/05/08/22/1342050822.db2.gz DBTMWFIINUAPNS-GOSISDBHSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374545948 1342050824 /nfs/dbraw/zinc/05/08/24/1342050824.db2.gz DBTMWFIINUAPNS-GOSISDBHSA-N 1 3 331.504 2.870 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001374556230 1342068102 /nfs/dbraw/zinc/06/81/02/1342068102.db2.gz BPYHDBPMDJSVEV-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@H](C(C)C)N(C)C ZINC001374720028 1342135690 /nfs/dbraw/zinc/13/56/90/1342135690.db2.gz CDGKDROPWVNOSC-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO Cc1cccnc1CNC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001374792801 1342173876 /nfs/dbraw/zinc/17/38/76/1342173876.db2.gz ZVTMTYBIVMNWNY-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccnc1CNC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001374792801 1342173877 /nfs/dbraw/zinc/17/38/77/1342173877.db2.gz ZVTMTYBIVMNWNY-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO O=C(NCC1(NCc2ccc(CF)cc2)CC1)C12CCC[NH+]1CCC2 ZINC001392914502 1356427015 /nfs/dbraw/zinc/42/70/15/1356427015.db2.gz XWZJMBUAIVQIBL-UHFFFAOYSA-N 1 3 345.462 2.523 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051934 1342353398 /nfs/dbraw/zinc/35/33/98/1342353398.db2.gz BQAWJUDVPMNWPI-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051934 1342353401 /nfs/dbraw/zinc/35/34/01/1342353401.db2.gz BQAWJUDVPMNWPI-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001375092625 1342401720 /nfs/dbraw/zinc/40/17/20/1342401720.db2.gz CVFKUQQFMIEFDA-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001375092625 1342401718 /nfs/dbraw/zinc/40/17/18/1342401718.db2.gz CVFKUQQFMIEFDA-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375151636 1342466595 /nfs/dbraw/zinc/46/65/95/1342466595.db2.gz UQHWKSQMELPSDL-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375151636 1342466597 /nfs/dbraw/zinc/46/65/97/1342466597.db2.gz UQHWKSQMELPSDL-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)sc1C)C1CC1)N(C)C ZINC001375256848 1342561219 /nfs/dbraw/zinc/56/12/19/1342561219.db2.gz KKNYDXYMBWBZAS-IRXDYDNUSA-N 1 3 337.533 2.690 20 0 EFADHO CC1CC(CN2CC[C@H]2CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001375335513 1342641032 /nfs/dbraw/zinc/64/10/32/1342641032.db2.gz YYPSWNRIBUSJMG-ABHNRTSZSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001375495641 1342802968 /nfs/dbraw/zinc/80/29/68/1342802968.db2.gz OWUYQNNMOGTTKJ-FZNQNYSPSA-N 1 3 335.517 2.525 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)cc2C)CC1 ZINC001375519424 1342827833 /nfs/dbraw/zinc/82/78/33/1342827833.db2.gz YHPBOADOUMKGJR-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccc(Cl)cc2C)CC1 ZINC001375519424 1342827839 /nfs/dbraw/zinc/82/78/39/1342827839.db2.gz YHPBOADOUMKGJR-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375520513 1342829265 /nfs/dbraw/zinc/82/92/65/1342829265.db2.gz YCXXWZNWKMYQNV-LBTBCDHLSA-N 1 3 335.467 2.711 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001375533475 1342844256 /nfs/dbraw/zinc/84/42/56/1342844256.db2.gz DUBMQPRDMKKIKS-DTTOXWODSA-N 1 3 335.467 2.711 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1)c1ccccc1 ZINC001375548055 1342861915 /nfs/dbraw/zinc/86/19/15/1342861915.db2.gz BPQXHNNARSSFQS-OWYHZJEWSA-N 1 3 331.504 2.962 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001375551490 1342864550 /nfs/dbraw/zinc/86/45/50/1342864550.db2.gz BYUMGWLIRZNKPH-WGSAOQKQSA-N 1 3 331.504 2.630 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375558218 1342874228 /nfs/dbraw/zinc/87/42/28/1342874228.db2.gz QTYHSJQZCMIRNT-RGCFKVTRSA-N 1 3 349.494 2.957 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001375777967 1342999910 /nfs/dbraw/zinc/99/99/10/1342999910.db2.gz ICIYRNODNWHZNY-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001375778399 1343000369 /nfs/dbraw/zinc/00/03/69/1343000369.db2.gz KGXNFVCLDNKRJS-SFHVURJKSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001375886077 1343132000 /nfs/dbraw/zinc/13/20/00/1343132000.db2.gz DGQPKSJFJOTJSA-SFHVURJKSA-N 1 3 346.500 2.659 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001375893334 1343140046 /nfs/dbraw/zinc/14/00/46/1343140046.db2.gz WNJRJNYDUHCBGU-AZUAARDMSA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001375893338 1343140193 /nfs/dbraw/zinc/14/01/93/1343140193.db2.gz WNJRJNYDUHCBGU-ICSRJNTNSA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001375895099 1343141946 /nfs/dbraw/zinc/14/19/46/1343141946.db2.gz GPEIRBLAAAGZOS-ICSRJNTNSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001375927875 1343175759 /nfs/dbraw/zinc/17/57/59/1343175759.db2.gz XITQVXGTRCDRGL-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2cccnc2)CC1 ZINC001375927875 1343175762 /nfs/dbraw/zinc/17/57/62/1343175762.db2.gz XITQVXGTRCDRGL-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCCC[N@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375950226 1343203456 /nfs/dbraw/zinc/20/34/56/1343203456.db2.gz LRSXTUULUBTTPH-LJQANCHMSA-N 1 3 325.541 2.983 20 0 EFADHO CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375950226 1343203454 /nfs/dbraw/zinc/20/34/54/1343203454.db2.gz LRSXTUULUBTTPH-LJQANCHMSA-N 1 3 325.541 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001393736364 1357114321 /nfs/dbraw/zinc/11/43/21/1357114321.db2.gz ABKVHWQQUCWECG-UONOGXRCSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376151390 1343357213 /nfs/dbraw/zinc/35/72/13/1343357213.db2.gz NUIJMBZXYQOXJX-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001376165139 1343369349 /nfs/dbraw/zinc/36/93/49/1343369349.db2.gz LTXFOEJBWJJXDP-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001376175448 1343375736 /nfs/dbraw/zinc/37/57/36/1343375736.db2.gz CXLBCWFQBUKESX-YJBOKZPZSA-N 1 3 346.519 2.914 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001376251605 1343428334 /nfs/dbraw/zinc/42/83/34/1343428334.db2.gz JPFHVOIWRMLQNT-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001376277422 1343446506 /nfs/dbraw/zinc/44/65/06/1343446506.db2.gz CMNSVWDMFYGOOU-QGZVFWFLSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001376293611 1343462309 /nfs/dbraw/zinc/46/23/09/1343462309.db2.gz NVCCIJWJKIYYKN-QGZVFWFLSA-N 1 3 349.494 2.838 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001376293611 1343462314 /nfs/dbraw/zinc/46/23/14/1343462314.db2.gz NVCCIJWJKIYYKN-QGZVFWFLSA-N 1 3 349.494 2.838 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC001376375703 1343526442 /nfs/dbraw/zinc/52/64/42/1343526442.db2.gz MJRONWQJJIOSND-VAMGGRTRSA-N 1 3 339.483 2.917 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC(C)(C)C)C[C@@H]3C2)C1 ZINC001376419699 1343574242 /nfs/dbraw/zinc/57/42/42/1343574242.db2.gz USSFDMXVCGCCQS-OKZBNKHCSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC(C)(C)C)C[C@@H]3C2)C1 ZINC001376419699 1343574243 /nfs/dbraw/zinc/57/42/43/1343574243.db2.gz USSFDMXVCGCCQS-OKZBNKHCSA-N 1 3 335.536 2.545 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001376542971 1343666482 /nfs/dbraw/zinc/66/64/82/1343666482.db2.gz RFHLNSTVDDRBOH-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001376542971 1343666483 /nfs/dbraw/zinc/66/64/83/1343666483.db2.gz RFHLNSTVDDRBOH-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1)C1CCC1 ZINC001376666035 1343752257 /nfs/dbraw/zinc/75/22/57/1343752257.db2.gz TZJBMHZPDWJLLU-UHFFFAOYSA-N 1 3 347.478 2.827 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001376726492 1343785529 /nfs/dbraw/zinc/78/55/29/1343785529.db2.gz QHZGPOFFGSZORS-INIZCTEOSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ccccc1F ZINC001376729776 1343787823 /nfs/dbraw/zinc/78/78/23/1343787823.db2.gz XYHKMYJYUZURKC-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001376755184 1343809643 /nfs/dbraw/zinc/80/96/43/1343809643.db2.gz XKBGODKLDAZASR-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001376799424 1343848578 /nfs/dbraw/zinc/84/85/78/1343848578.db2.gz JARANJPRRRZZPG-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)[C@@H](C)C1 ZINC001393786016 1357154440 /nfs/dbraw/zinc/15/44/40/1357154440.db2.gz ILGPQPYADPBPAZ-ICSRJNTNSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)[C@@H](C)C1 ZINC001393786016 1357154444 /nfs/dbraw/zinc/15/44/44/1357154444.db2.gz ILGPQPYADPBPAZ-ICSRJNTNSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001393784742 1357153129 /nfs/dbraw/zinc/15/31/29/1357153129.db2.gz KJXXKOLIDAJDHE-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001393784742 1357153133 /nfs/dbraw/zinc/15/31/33/1357153133.db2.gz KJXXKOLIDAJDHE-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001393784726 1357153162 /nfs/dbraw/zinc/15/31/62/1357153162.db2.gz KJXXKOLIDAJDHE-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001393784726 1357153166 /nfs/dbraw/zinc/15/31/66/1357153166.db2.gz KJXXKOLIDAJDHE-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001376876391 1343912022 /nfs/dbraw/zinc/91/20/22/1343912022.db2.gz IKDSPABGTCCBHW-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001376898331 1343936944 /nfs/dbraw/zinc/93/69/44/1343936944.db2.gz YDKYYOBTUQPSAM-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001376898331 1343936946 /nfs/dbraw/zinc/93/69/46/1343936946.db2.gz YDKYYOBTUQPSAM-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001376916908 1343954294 /nfs/dbraw/zinc/95/42/94/1343954294.db2.gz CFKVFXRFNWHEOB-ZFWWWQNUSA-N 1 3 339.430 2.558 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C)cs1 ZINC001393788958 1357158272 /nfs/dbraw/zinc/15/82/72/1357158272.db2.gz VFTQDVWULLMQKF-YOEHRIQHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C)cs1 ZINC001393788955 1357158348 /nfs/dbraw/zinc/15/83/48/1357158348.db2.gz VFTQDVWULLMQKF-RHSMWYFYSA-N 1 3 349.544 2.867 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1 ZINC001376950970 1343980605 /nfs/dbraw/zinc/98/06/05/1343980605.db2.gz MLNZFRFCYMHFNV-CYBMUJFWSA-N 1 3 343.924 2.681 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001376951459 1343981594 /nfs/dbraw/zinc/98/15/94/1343981594.db2.gz COYIPYBNBWANBE-CRAIPNDOSA-N 1 3 326.444 2.542 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001376968775 1343997440 /nfs/dbraw/zinc/99/74/40/1343997440.db2.gz WUXDVAMRCKACPT-MSOLQXFVSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)[C@H](C)C1 ZINC001393790428 1357160877 /nfs/dbraw/zinc/16/08/77/1357160877.db2.gz URHILXWLUZOLNB-QUCCMNQESA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@H](C)C1 ZINC001393790428 1357160880 /nfs/dbraw/zinc/16/08/80/1357160880.db2.gz URHILXWLUZOLNB-QUCCMNQESA-N 1 3 345.531 2.848 20 0 EFADHO C[N@H+](CCCc1ccsc1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376991136 1344026679 /nfs/dbraw/zinc/02/66/79/1344026679.db2.gz ORNKTJJKWCOAHG-KRWDZBQOSA-N 1 3 346.500 2.569 20 0 EFADHO C[N@@H+](CCCc1ccsc1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376991136 1344026686 /nfs/dbraw/zinc/02/66/86/1344026686.db2.gz ORNKTJJKWCOAHG-KRWDZBQOSA-N 1 3 346.500 2.569 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001377149745 1344140552 /nfs/dbraw/zinc/14/05/52/1344140552.db2.gz HFHLLLPXFNSYTC-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001377149745 1344140557 /nfs/dbraw/zinc/14/05/57/1344140557.db2.gz HFHLLLPXFNSYTC-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001377151809 1344141165 /nfs/dbraw/zinc/14/11/65/1344141165.db2.gz SANIDZRKUCTUSD-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001377151809 1344141167 /nfs/dbraw/zinc/14/11/67/1344141167.db2.gz SANIDZRKUCTUSD-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001377396669 1344158880 /nfs/dbraw/zinc/15/88/80/1344158880.db2.gz VPJRPAGDDALFGF-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001377396669 1344158883 /nfs/dbraw/zinc/15/88/83/1344158883.db2.gz VPJRPAGDDALFGF-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001377592440 1344199251 /nfs/dbraw/zinc/19/92/51/1344199251.db2.gz NXPLZZAOTAQHMB-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001377613832 1344221954 /nfs/dbraw/zinc/22/19/54/1344221954.db2.gz VKOYOOZCYHGGQN-YRPJOXRESA-N 1 3 329.916 2.542 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)N(C)C ZINC001377618965 1344227719 /nfs/dbraw/zinc/22/77/19/1344227719.db2.gz KWARDUBFOOSJQI-GUDVDZBRSA-N 1 3 331.504 2.600 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001377624086 1344233612 /nfs/dbraw/zinc/23/36/12/1344233612.db2.gz VNBLSCDDHSCNHV-ZDUSSCGKSA-N 1 3 349.441 2.640 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001377702691 1344343596 /nfs/dbraw/zinc/34/35/96/1344343596.db2.gz VONVDUVMVJNFSE-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001377702691 1344343601 /nfs/dbraw/zinc/34/36/01/1344343601.db2.gz VONVDUVMVJNFSE-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001377714643 1344360487 /nfs/dbraw/zinc/36/04/87/1344360487.db2.gz CKXUEHZORSXVAA-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001377714643 1344360491 /nfs/dbraw/zinc/36/04/91/1344360491.db2.gz CKXUEHZORSXVAA-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001377727147 1344376817 /nfs/dbraw/zinc/37/68/17/1344376817.db2.gz YRGKPZYKDTWKFR-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001377727147 1344376822 /nfs/dbraw/zinc/37/68/22/1344376822.db2.gz YRGKPZYKDTWKFR-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001377727138 1344377170 /nfs/dbraw/zinc/37/71/70/1344377170.db2.gz YRGKPZYKDTWKFR-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001377727138 1344377171 /nfs/dbraw/zinc/37/71/71/1344377171.db2.gz YRGKPZYKDTWKFR-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001377756333 1344403195 /nfs/dbraw/zinc/40/31/95/1344403195.db2.gz BSSIYRXRXLOVDZ-RCMYXZNBSA-N 1 3 341.927 2.785 20 0 EFADHO C[N@H+](CCCC1CCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377796054 1344448206 /nfs/dbraw/zinc/44/82/06/1344448206.db2.gz NTAGOUSKSXXIBP-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCCC1CCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377796054 1344448208 /nfs/dbraw/zinc/44/82/08/1344448208.db2.gz NTAGOUSKSXXIBP-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@H+](CCC(=O)N[C@H]1CCCN(CCCF)C1)C1CCCCC1 ZINC001377844865 1344500821 /nfs/dbraw/zinc/50/08/21/1344500821.db2.gz MPMVUZWKIJJUSU-INIZCTEOSA-N 1 3 327.488 2.581 20 0 EFADHO C[N@@H+](CCC(=O)N[C@H]1CCCN(CCCF)C1)C1CCCCC1 ZINC001377844865 1344500825 /nfs/dbraw/zinc/50/08/25/1344500825.db2.gz MPMVUZWKIJJUSU-INIZCTEOSA-N 1 3 327.488 2.581 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001377860265 1344521838 /nfs/dbraw/zinc/52/18/38/1344521838.db2.gz CDJVSWMRUZVBDZ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001377860265 1344521846 /nfs/dbraw/zinc/52/18/46/1344521846.db2.gz CDJVSWMRUZVBDZ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001377945657 1344606008 /nfs/dbraw/zinc/60/60/08/1344606008.db2.gz AKVRALOUEGZTCW-HNNXBMFYSA-N 1 3 347.494 2.692 20 0 EFADHO CCc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001377967361 1344623734 /nfs/dbraw/zinc/62/37/34/1344623734.db2.gz RCBHYDAIJDVEGS-UHFFFAOYSA-N 1 3 342.487 2.789 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001378064221 1344717983 /nfs/dbraw/zinc/71/79/83/1344717983.db2.gz NISIBTNSRRZLBP-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001378064221 1344717990 /nfs/dbraw/zinc/71/79/90/1344717990.db2.gz NISIBTNSRRZLBP-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378076812 1344731550 /nfs/dbraw/zinc/73/15/50/1344731550.db2.gz DZIIEUICTRQQGB-HKUYNNGSSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378076812 1344731551 /nfs/dbraw/zinc/73/15/51/1344731551.db2.gz DZIIEUICTRQQGB-HKUYNNGSSA-N 1 3 331.504 2.580 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1CCN(CCc2cccs2)C1 ZINC001378085558 1344742734 /nfs/dbraw/zinc/74/27/34/1344742734.db2.gz YAVXZPLJGHPROR-KRWDZBQOSA-N 1 3 349.544 2.747 20 0 EFADHO Cc1ccc(CCC[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001378131248 1344793719 /nfs/dbraw/zinc/79/37/19/1344793719.db2.gz VKLCNUVSRYJRBR-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CCC[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001378131248 1344793723 /nfs/dbraw/zinc/79/37/23/1344793723.db2.gz VKLCNUVSRYJRBR-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001378178836 1344850364 /nfs/dbraw/zinc/85/03/64/1344850364.db2.gz VGYGOVSCIAZFNH-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001378178836 1344850366 /nfs/dbraw/zinc/85/03/66/1344850366.db2.gz VGYGOVSCIAZFNH-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001378182267 1344855170 /nfs/dbraw/zinc/85/51/70/1344855170.db2.gz YOQZHQWVNCGMGL-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001378182267 1344855173 /nfs/dbraw/zinc/85/51/73/1344855173.db2.gz YOQZHQWVNCGMGL-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378184203 1344857640 /nfs/dbraw/zinc/85/76/40/1344857640.db2.gz MTPBJHPINNFSND-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378184203 1344857644 /nfs/dbraw/zinc/85/76/44/1344857644.db2.gz MTPBJHPINNFSND-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001378250736 1344930795 /nfs/dbraw/zinc/93/07/95/1344930795.db2.gz BPPQXUJCYQTONB-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccc(F)cc1 ZINC001378379154 1345025651 /nfs/dbraw/zinc/02/56/51/1345025651.db2.gz KWHJDZWXFJFURQ-SFHVURJKSA-N 1 3 346.450 2.754 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC=C(Cl)Cl ZINC001378384419 1345030193 /nfs/dbraw/zinc/03/01/93/1345030193.db2.gz VZHLRLUNPAWBLG-CYBMUJFWSA-N 1 3 347.290 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001378536775 1345147468 /nfs/dbraw/zinc/14/74/68/1345147468.db2.gz VOFOEWNQYRUPEP-RDJZCZTQSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378548005 1345154577 /nfs/dbraw/zinc/15/45/77/1345154577.db2.gz KAJQOOUXDBJUBT-QAPCUYQASA-N 1 3 335.467 2.540 20 0 EFADHO Cc1cc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001378561327 1345164058 /nfs/dbraw/zinc/16/40/58/1345164058.db2.gz QNQAGIMKLQJWSG-AWEZNQCLSA-N 1 3 337.533 2.643 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001378578700 1345175481 /nfs/dbraw/zinc/17/54/81/1345175481.db2.gz RTFLANPWMWZYKX-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001378578700 1345175485 /nfs/dbraw/zinc/17/54/85/1345175485.db2.gz RTFLANPWMWZYKX-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1)N(C)C ZINC001378588794 1345182634 /nfs/dbraw/zinc/18/26/34/1345182634.db2.gz VOFOEWNQYRUPEP-NVXWUHKLSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001378590196 1345183568 /nfs/dbraw/zinc/18/35/68/1345183568.db2.gz SNMAIQLMJZICRB-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001378603418 1345192394 /nfs/dbraw/zinc/19/23/94/1345192394.db2.gz IJPDGPZAYQALKI-YPMHNXCESA-N 1 3 331.913 2.584 20 0 EFADHO Cc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001378592563 1345185627 /nfs/dbraw/zinc/18/56/27/1345185627.db2.gz YJVKLHXEUAWUKQ-XLIONFOSSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001378608308 1345195619 /nfs/dbraw/zinc/19/56/19/1345195619.db2.gz COTMAFYCMGOPPB-KDOFPFPSSA-N 1 3 337.483 2.562 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001378611686 1345197396 /nfs/dbraw/zinc/19/73/96/1345197396.db2.gz JDVONFBTVBJMDS-KXBFYZLASA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(OC)c2)CCCC1)N(C)C ZINC001378694183 1345254784 /nfs/dbraw/zinc/25/47/84/1345254784.db2.gz ZAJAUPGGWVMUDD-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@@H](C)CC(C)C)CCCC1 ZINC001378717631 1345271925 /nfs/dbraw/zinc/27/19/25/1345271925.db2.gz YEGSKFWWSRRGMJ-HNNXBMFYSA-N 1 3 334.508 2.961 20 0 EFADHO C[C@@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378774004 1345306053 /nfs/dbraw/zinc/30/60/53/1345306053.db2.gz ITMNTDHZBGTHKX-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1 ZINC001378921028 1345426256 /nfs/dbraw/zinc/42/62/56/1345426256.db2.gz KNSKOJDOFKEOHL-OCKNTNFFSA-N 1 3 341.927 2.784 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1 ZINC001378921028 1345426259 /nfs/dbraw/zinc/42/62/59/1345426259.db2.gz KNSKOJDOFKEOHL-OCKNTNFFSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@H](c1ccccc1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379072363 1345552069 /nfs/dbraw/zinc/55/20/69/1345552069.db2.gz CWDUOFPKZBUDBP-QGZVFWFLSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001379105440 1345581842 /nfs/dbraw/zinc/58/18/42/1345581842.db2.gz CRFLCXZFWWDYBV-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C/C=C/c1ccccc1 ZINC001379137852 1345616118 /nfs/dbraw/zinc/61/61/18/1345616118.db2.gz IFGYNTBNUBRMHQ-XEDBTPMOSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C/C=C/c1ccccc1 ZINC001379137852 1345616121 /nfs/dbraw/zinc/61/61/21/1345616121.db2.gz IFGYNTBNUBRMHQ-XEDBTPMOSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001379153731 1345629620 /nfs/dbraw/zinc/62/96/20/1345629620.db2.gz ZEKQHVXZVRWFAK-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001393886654 1357255243 /nfs/dbraw/zinc/25/52/43/1357255243.db2.gz ZISVQZWIGJCRJY-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001393886654 1357255247 /nfs/dbraw/zinc/25/52/47/1357255247.db2.gz ZISVQZWIGJCRJY-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001379266796 1345687675 /nfs/dbraw/zinc/68/76/75/1345687675.db2.gz LRTKASCQZKYXKQ-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001379266796 1345687678 /nfs/dbraw/zinc/68/76/78/1345687678.db2.gz LRTKASCQZKYXKQ-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001379266798 1345687876 /nfs/dbraw/zinc/68/78/76/1345687876.db2.gz LRTKASCQZKYXKQ-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001379266798 1345687877 /nfs/dbraw/zinc/68/78/77/1345687877.db2.gz LRTKASCQZKYXKQ-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cncc(CN[C@@H](C)CN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001379322889 1345726393 /nfs/dbraw/zinc/72/63/93/1345726393.db2.gz GXIQVFLPGUWGGP-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@@H](C(C)C)N(C)C ZINC001379328802 1345731510 /nfs/dbraw/zinc/73/15/10/1345731510.db2.gz WVLTVBNEDDMVTR-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001379383954 1345757816 /nfs/dbraw/zinc/75/78/16/1345757816.db2.gz SINFIMMLJHRTBW-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1cc2ccccc2o1)[NH+](C)C ZINC001379550300 1345849866 /nfs/dbraw/zinc/84/98/66/1345849866.db2.gz JGPMHNISHWBMJR-KBXCAEBGSA-N 1 3 331.460 2.613 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001379557024 1345858120 /nfs/dbraw/zinc/85/81/20/1345858120.db2.gz TUJCHFUWFJTKSF-WMLDXEAASA-N 1 3 337.895 2.761 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379685772 1347258450 /nfs/dbraw/zinc/25/84/50/1347258450.db2.gz WSMJSIWWDKSHKI-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379685772 1347258452 /nfs/dbraw/zinc/25/84/52/1347258452.db2.gz WSMJSIWWDKSHKI-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379685782 1347258558 /nfs/dbraw/zinc/25/85/58/1347258558.db2.gz WSMJSIWWDKSHKI-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001379685782 1347258560 /nfs/dbraw/zinc/25/85/60/1347258560.db2.gz WSMJSIWWDKSHKI-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)CCC[NH+](C)C ZINC001379721397 1347285737 /nfs/dbraw/zinc/28/57/37/1347285737.db2.gz FRJZASBDPLLNKH-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001379878025 1347383645 /nfs/dbraw/zinc/38/36/45/1347383645.db2.gz OSFBOBFFEHYSGX-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001379908977 1347400434 /nfs/dbraw/zinc/40/04/34/1347400434.db2.gz LINIGOQLORWKGV-RBUKOAKNSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001380077606 1347504118 /nfs/dbraw/zinc/50/41/18/1347504118.db2.gz FOZOTBGBYLGKLX-SMTIMMHKSA-N 1 3 341.499 2.813 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)c1 ZINC001380137627 1347529486 /nfs/dbraw/zinc/52/94/86/1347529486.db2.gz CTGIIYJLXAVSNI-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001380173893 1347548604 /nfs/dbraw/zinc/54/86/04/1347548604.db2.gz ZKQJDWBIQDEVPD-SOAGJPPSSA-N 1 3 345.531 2.703 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001380175303 1347549527 /nfs/dbraw/zinc/54/95/27/1347549527.db2.gz ACKIZMQIJHHFBJ-FHERZECASA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001380178784 1347552035 /nfs/dbraw/zinc/55/20/35/1347552035.db2.gz WYKFROUSQLTWFW-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C[C@H]1C ZINC001380262157 1347560036 /nfs/dbraw/zinc/56/00/36/1347560036.db2.gz DFQYJWROGNNXKE-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC(F)(F)F)C[C@H]2C)CC1 ZINC001380274936 1347564715 /nfs/dbraw/zinc/56/47/15/1347564715.db2.gz XFEKHUUVHYKPLG-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001380280741 1347566907 /nfs/dbraw/zinc/56/69/07/1347566907.db2.gz AJZIEEDIFXKGCU-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001380379279 1347630929 /nfs/dbraw/zinc/63/09/29/1347630929.db2.gz RZJYHKLRJWIJGP-NRFANRHFSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001380454576 1347683841 /nfs/dbraw/zinc/68/38/41/1347683841.db2.gz MEGRMDBBRQFOFB-UHFFFAOYSA-N 1 3 340.471 2.679 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001380471231 1347698742 /nfs/dbraw/zinc/69/87/42/1347698742.db2.gz FLNOVZMAWWKYMC-HKUYNNGSSA-N 1 3 325.541 2.981 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001380471231 1347698745 /nfs/dbraw/zinc/69/87/45/1347698745.db2.gz FLNOVZMAWWKYMC-HKUYNNGSSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001380675694 1347805103 /nfs/dbraw/zinc/80/51/03/1347805103.db2.gz ZIMMWPIMUQEXKO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001380859550 1347919859 /nfs/dbraw/zinc/91/98/59/1347919859.db2.gz IYGQLVRQDIVZOU-WQRDJFRPSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001380859550 1347919863 /nfs/dbraw/zinc/91/98/63/1347919863.db2.gz IYGQLVRQDIVZOU-WQRDJFRPSA-N 1 3 339.911 2.774 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CCC1)N(C)C ZINC001380882253 1347934309 /nfs/dbraw/zinc/93/43/09/1347934309.db2.gz WNMCKDRWFNRNHV-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc3ccccc3o2)CCC1 ZINC001380895478 1347942739 /nfs/dbraw/zinc/94/27/39/1347942739.db2.gz OVNIJXIYQNMTJF-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001380966588 1347990091 /nfs/dbraw/zinc/99/00/91/1347990091.db2.gz RVCMXQIWAMJTAJ-KRWDZBQOSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1C ZINC001380966588 1347990094 /nfs/dbraw/zinc/99/00/94/1347990094.db2.gz RVCMXQIWAMJTAJ-KRWDZBQOSA-N 1 3 345.531 2.926 20 0 EFADHO CN(CCC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)Cc1c[nH]cn1 ZINC001380970328 1347994421 /nfs/dbraw/zinc/99/44/21/1347994421.db2.gz IXNWOKFSVNXZJY-UHFFFAOYSA-N 1 3 342.434 2.558 20 0 EFADHO CN(CCC[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)Cc1c[nH]cn1 ZINC001380970328 1347994424 /nfs/dbraw/zinc/99/44/24/1347994424.db2.gz IXNWOKFSVNXZJY-UHFFFAOYSA-N 1 3 342.434 2.558 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCCF)C1 ZINC001380991065 1348009911 /nfs/dbraw/zinc/00/99/11/1348009911.db2.gz UEKBLFKJOCGMLO-QZTJIDSGSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001380991065 1348009916 /nfs/dbraw/zinc/00/99/16/1348009916.db2.gz UEKBLFKJOCGMLO-QZTJIDSGSA-N 1 3 341.515 2.781 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001381109881 1348081930 /nfs/dbraw/zinc/08/19/30/1348081930.db2.gz WADYQZIMOPMLGU-YJBOKZPZSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001381125223 1348093861 /nfs/dbraw/zinc/09/38/61/1348093861.db2.gz TZGCKQPHOSIPFU-UZLBHIALSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2F)[C@@H](C)C1 ZINC001381172366 1348119994 /nfs/dbraw/zinc/11/99/94/1348119994.db2.gz MEPWVUUJGHTOPF-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2F)[C@@H](C)C1 ZINC001381172366 1348119995 /nfs/dbraw/zinc/11/99/95/1348119995.db2.gz MEPWVUUJGHTOPF-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001381214569 1348144528 /nfs/dbraw/zinc/14/45/28/1348144528.db2.gz RAXLGONIVKRPMA-ZFWWWQNUSA-N 1 3 333.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)C/C=C\Cl)CC1)N(C)C ZINC001381255869 1348167086 /nfs/dbraw/zinc/16/70/86/1348167086.db2.gz MSLAWDQSFNERBR-BJIFSAINSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)C/C=C\Cl)CC1)N(C)C ZINC001381255869 1348167087 /nfs/dbraw/zinc/16/70/87/1348167087.db2.gz MSLAWDQSFNERBR-BJIFSAINSA-N 1 3 329.916 2.640 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001381294853 1348194111 /nfs/dbraw/zinc/19/41/11/1348194111.db2.gz TYWCMSWAWDIQKM-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC001381294853 1348194114 /nfs/dbraw/zinc/19/41/14/1348194114.db2.gz TYWCMSWAWDIQKM-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@H+](C)CCCF)c1 ZINC001381314350 1348206399 /nfs/dbraw/zinc/20/63/99/1348206399.db2.gz PTMVFIZHMQODQY-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCF)c1 ZINC001381314350 1348206402 /nfs/dbraw/zinc/20/64/02/1348206402.db2.gz PTMVFIZHMQODQY-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001381564061 1348361072 /nfs/dbraw/zinc/36/10/72/1348361072.db2.gz JDOSCTJFJRAIBO-ZDUSSCGKSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001381587606 1348382502 /nfs/dbraw/zinc/38/25/02/1348382502.db2.gz MJCXPYHMDSMKMZ-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001381587606 1348382506 /nfs/dbraw/zinc/38/25/06/1348382506.db2.gz MJCXPYHMDSMKMZ-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO Cc1cccnc1CN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001381759147 1348506709 /nfs/dbraw/zinc/50/67/09/1348506709.db2.gz PLYQMUCFQZYAPR-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001381771456 1348517374 /nfs/dbraw/zinc/51/73/74/1348517374.db2.gz CGNWRSYFESMALH-CGZBRXJRSA-N 1 3 335.536 2.734 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001381801118 1348535327 /nfs/dbraw/zinc/53/53/27/1348535327.db2.gz CLZLXDTZBPSGAV-IRXDYDNUSA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN([C@@H](C)c2ccccc2)C1 ZINC001381801118 1348535329 /nfs/dbraw/zinc/53/53/29/1348535329.db2.gz CLZLXDTZBPSGAV-IRXDYDNUSA-N 1 3 331.504 2.916 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001381806983 1348539857 /nfs/dbraw/zinc/53/98/57/1348539857.db2.gz RUZNRHLTQFKUKY-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001381811471 1348543394 /nfs/dbraw/zinc/54/33/94/1348543394.db2.gz ZUHZLKVCALDEFW-LPHOPBHVSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001381824652 1348552894 /nfs/dbraw/zinc/55/28/94/1348552894.db2.gz CUBSVTWFLGMLKA-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001382094684 1348715343 /nfs/dbraw/zinc/71/53/43/1348715343.db2.gz GDVIJVWQHPMDBG-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001382098233 1348718037 /nfs/dbraw/zinc/71/80/37/1348718037.db2.gz ZZSAHJKCYDZIDH-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001382307042 1348857422 /nfs/dbraw/zinc/85/74/22/1348857422.db2.gz BWESOHBNNZCZJU-UICDAGHKSA-N 1 3 349.906 2.736 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001382591703 1349038416 /nfs/dbraw/zinc/03/84/16/1349038416.db2.gz URVVLVGMEGUVLO-SOAGJPPSSA-N 1 3 345.531 2.969 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCc1ccccc1 ZINC001394171778 1357545565 /nfs/dbraw/zinc/54/55/65/1357545565.db2.gz JOXNLDGLHGSYRU-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CN(Cc2ccccc2)C1 ZINC001394232367 1357622798 /nfs/dbraw/zinc/62/27/98/1357622798.db2.gz LFZOYKBWKOTJLT-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC([C@@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001394229697 1357620222 /nfs/dbraw/zinc/62/02/22/1357620222.db2.gz QSBOVUPTIRUYIA-SJORKVTESA-N 1 3 343.515 2.977 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001394262505 1357648501 /nfs/dbraw/zinc/64/85/01/1357648501.db2.gz KVNZNSZYKFQCCM-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001388651973 1352892607 /nfs/dbraw/zinc/89/26/07/1352892607.db2.gz GXCBEMUTNBSTJZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001388651973 1352892615 /nfs/dbraw/zinc/89/26/15/1352892615.db2.gz GXCBEMUTNBSTJZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001388680616 1352915546 /nfs/dbraw/zinc/91/55/46/1352915546.db2.gz HIIXUZRPILDSPA-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC001388681985 1352917151 /nfs/dbraw/zinc/91/71/51/1352917151.db2.gz XCOPBOVQKUSWLZ-KDURUIRLSA-N 1 3 343.515 2.936 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001388696023 1352928303 /nfs/dbraw/zinc/92/83/03/1352928303.db2.gz ABAPDULWEZTMLL-IMFGXOCKSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001388726508 1352954417 /nfs/dbraw/zinc/95/44/17/1352954417.db2.gz OFDGKZPIDIZZBO-SBGOFHNDSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001388732738 1352959704 /nfs/dbraw/zinc/95/97/04/1352959704.db2.gz FOFRNOQCEKVBDT-TWKYDXJASA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)CC(C)(C)C ZINC001389515162 1353445169 /nfs/dbraw/zinc/44/51/69/1353445169.db2.gz CAZCBWBZXIPEHX-QGZVFWFLSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001389673520 1353544747 /nfs/dbraw/zinc/54/47/47/1353544747.db2.gz WPDBMBHXVGFWLE-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001389859754 1353652749 /nfs/dbraw/zinc/65/27/49/1353652749.db2.gz XELHCPBAFJYQLP-QAQDUYKDSA-N 1 3 349.906 2.870 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(C)C)C1)N(C)C ZINC001389898478 1353675686 /nfs/dbraw/zinc/67/56/86/1353675686.db2.gz JUOBRWVVIWRGST-BZSNNMDCSA-N 1 3 347.503 2.551 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]21)[NH+](C)C ZINC001390224238 1353933885 /nfs/dbraw/zinc/93/38/85/1353933885.db2.gz VZWYABSSGWBDHT-BPFKQRPKSA-N 1 3 347.478 2.519 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001390261756 1353961080 /nfs/dbraw/zinc/96/10/80/1353961080.db2.gz AQGNOWWNNPURPB-BENRWUELSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001390261756 1353961082 /nfs/dbraw/zinc/96/10/82/1353961082.db2.gz AQGNOWWNNPURPB-BENRWUELSA-N 1 3 336.307 2.664 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001390265927 1353963994 /nfs/dbraw/zinc/96/39/94/1353963994.db2.gz PHDAVBNNGXYTOD-BENRWUELSA-N 1 3 336.307 2.664 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001390472763 1354107310 /nfs/dbraw/zinc/10/73/10/1354107310.db2.gz BZYNGGVEEWEWOV-OAHLLOKOSA-N 1 3 337.483 2.706 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cc2ccccc2o1 ZINC001390531624 1354153138 /nfs/dbraw/zinc/15/31/38/1354153138.db2.gz FEEKOPYPPJAGLZ-INIZCTEOSA-N 1 3 343.471 2.903 20 0 EFADHO CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390630038 1354227139 /nfs/dbraw/zinc/22/71/39/1354227139.db2.gz SFSVIGHVNMCQDI-MSOLQXFVSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001390630038 1354227149 /nfs/dbraw/zinc/22/71/49/1354227149.db2.gz SFSVIGHVNMCQDI-MSOLQXFVSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001390700757 1354292705 /nfs/dbraw/zinc/29/27/05/1354292705.db2.gz LKBIEORVRGOMPH-WMLDXEAASA-N 1 3 339.911 2.911 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001390780508 1354367885 /nfs/dbraw/zinc/36/78/85/1354367885.db2.gz VVWBFZPZHQAHPH-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001390780508 1354367889 /nfs/dbraw/zinc/36/78/89/1354367889.db2.gz VVWBFZPZHQAHPH-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001390781967 1354368787 /nfs/dbraw/zinc/36/87/87/1354368787.db2.gz PDMJJBDWACBRHN-GOSISDBHSA-N 1 3 347.478 2.953 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC001390835807 1354421459 /nfs/dbraw/zinc/42/14/59/1354421459.db2.gz FLKYRIKTWMDQHN-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848628 1354431313 /nfs/dbraw/zinc/43/13/13/1354431313.db2.gz XCUQIJPDELJPON-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848628 1354431317 /nfs/dbraw/zinc/43/13/17/1354431317.db2.gz XCUQIJPDELJPON-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001390850691 1354434116 /nfs/dbraw/zinc/43/41/16/1354434116.db2.gz PJQYBKAQGIALNN-KRWDZBQOSA-N 1 3 339.911 2.783 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001390867796 1354450292 /nfs/dbraw/zinc/45/02/92/1354450292.db2.gz XHNYOUUGNRDGET-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001390867796 1354450295 /nfs/dbraw/zinc/45/02/95/1354450295.db2.gz XHNYOUUGNRDGET-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(CF)cc1 ZINC001390982546 1354632646 /nfs/dbraw/zinc/63/26/46/1354632646.db2.gz BQOPMLMKDJTQCP-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc(C)cc1C ZINC001391004674 1354671953 /nfs/dbraw/zinc/67/19/53/1354671953.db2.gz HVKUBQFDRLIQHD-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc(C)cc1C ZINC001391004674 1354671957 /nfs/dbraw/zinc/67/19/57/1354671957.db2.gz HVKUBQFDRLIQHD-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001391059287 1354747968 /nfs/dbraw/zinc/74/79/68/1354747968.db2.gz HHJDHDAWWLGXRI-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001391059287 1354747973 /nfs/dbraw/zinc/74/79/73/1354747973.db2.gz HHJDHDAWWLGXRI-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC001391083474 1354775430 /nfs/dbraw/zinc/77/54/30/1354775430.db2.gz IBDOOMOUKPAMFS-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC001391083474 1354775436 /nfs/dbraw/zinc/77/54/36/1354775436.db2.gz IBDOOMOUKPAMFS-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097659 1354791063 /nfs/dbraw/zinc/79/10/63/1354791063.db2.gz NSDOMNIWJJNWMA-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097659 1354791066 /nfs/dbraw/zinc/79/10/66/1354791066.db2.gz NSDOMNIWJJNWMA-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001391177337 1354903805 /nfs/dbraw/zinc/90/38/05/1354903805.db2.gz YXVASOZUFPENDX-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)c1ccccc1CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001391195299 1354922701 /nfs/dbraw/zinc/92/27/01/1354922701.db2.gz FUFUWXRLXPNVJR-SFHVURJKSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391195299 1354922707 /nfs/dbraw/zinc/92/27/07/1354922707.db2.gz FUFUWXRLXPNVJR-SFHVURJKSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001391212151 1354936756 /nfs/dbraw/zinc/93/67/56/1354936756.db2.gz FTCQBTPSRWLVRK-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]CC2CC(F)(F)C2)CC1 ZINC001391250514 1354973000 /nfs/dbraw/zinc/97/30/00/1354973000.db2.gz VAULHCFACAYELC-AWEZNQCLSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391301728 1355043688 /nfs/dbraw/zinc/04/36/88/1355043688.db2.gz UCPPCTAXDOWPSX-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391301728 1355043691 /nfs/dbraw/zinc/04/36/91/1355043691.db2.gz UCPPCTAXDOWPSX-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001391342082 1355098264 /nfs/dbraw/zinc/09/82/64/1355098264.db2.gz TUKCSTBAORIQMB-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001391342082 1355098268 /nfs/dbraw/zinc/09/82/68/1355098268.db2.gz TUKCSTBAORIQMB-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001391350081 1355109041 /nfs/dbraw/zinc/10/90/41/1355109041.db2.gz CNZAMSPDCPMJOB-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001391350081 1355109046 /nfs/dbraw/zinc/10/90/46/1355109046.db2.gz CNZAMSPDCPMJOB-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001391351044 1355110479 /nfs/dbraw/zinc/11/04/79/1355110479.db2.gz DXGSTBVZYRAAES-WUQYLLKWSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001391351044 1355110480 /nfs/dbraw/zinc/11/04/80/1355110480.db2.gz DXGSTBVZYRAAES-WUQYLLKWSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001391500238 1355251045 /nfs/dbraw/zinc/25/10/45/1355251045.db2.gz ACADNGFMKZHKSG-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001391503888 1355255151 /nfs/dbraw/zinc/25/51/51/1355255151.db2.gz GTQGQIJCAOFBID-MRXNPFEDSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391512976 1355264184 /nfs/dbraw/zinc/26/41/84/1355264184.db2.gz GNQUNTODHBFRDI-HXUWFJFHSA-N 1 3 345.531 2.944 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001391539063 1355287910 /nfs/dbraw/zinc/28/79/10/1355287910.db2.gz RMLZAOHQHXXQNI-BJLQDIEVSA-N 1 3 341.499 2.691 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H]1CCCc2ccccc21 ZINC001391539063 1355287913 /nfs/dbraw/zinc/28/79/13/1355287913.db2.gz RMLZAOHQHXXQNI-BJLQDIEVSA-N 1 3 341.499 2.691 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399812121 1361512234 /nfs/dbraw/zinc/51/22/34/1361512234.db2.gz SDEUKIHVDAJJTR-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@@H]1CCCc2ccccc21)N(C)C ZINC001399812121 1361512235 /nfs/dbraw/zinc/51/22/35/1361512235.db2.gz SDEUKIHVDAJJTR-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)CCC1 ZINC001391822698 1355566374 /nfs/dbraw/zinc/56/63/74/1355566374.db2.gz XFJWVXAAPKOVKL-IYARVYRRSA-N 1 3 329.488 2.688 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001391822962 1355567185 /nfs/dbraw/zinc/56/71/85/1355567185.db2.gz ZCWDIAWPUAGOBF-JFIYKMOQSA-N 1 3 335.467 2.683 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001391895284 1355629601 /nfs/dbraw/zinc/62/96/01/1355629601.db2.gz RLWGRNKKSNQFRJ-FWRQMEPDSA-N 1 3 336.307 2.522 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)CNC/C(Cl)=C\Cl ZINC001391895284 1355629598 /nfs/dbraw/zinc/62/95/98/1355629598.db2.gz RLWGRNKKSNQFRJ-FWRQMEPDSA-N 1 3 336.307 2.522 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001391895286 1355630117 /nfs/dbraw/zinc/63/01/17/1355630117.db2.gz RLWGRNKKSNQFRJ-LRZCHELBSA-N 1 3 336.307 2.522 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001391895286 1355630120 /nfs/dbraw/zinc/63/01/20/1355630120.db2.gz RLWGRNKKSNQFRJ-LRZCHELBSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001391921998 1355649434 /nfs/dbraw/zinc/64/94/34/1355649434.db2.gz OPDHPLHSHBCHOR-AUUYWEPGSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001392182868 1355836271 /nfs/dbraw/zinc/83/62/71/1355836271.db2.gz QFLDMVBFVFBQSH-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)C)N(C)C ZINC001392232519 1355887734 /nfs/dbraw/zinc/88/77/34/1355887734.db2.gz HBWOFVDVDFFDOR-KGLIPLIRSA-N 1 3 345.940 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)C)N(C)C ZINC001392241978 1355897949 /nfs/dbraw/zinc/89/79/49/1355897949.db2.gz FMXOJLQAZUDVHC-SJORKVTESA-N 1 3 341.446 2.535 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC001392255398 1355912087 /nfs/dbraw/zinc/91/20/87/1355912087.db2.gz KCGTXTQNZROTDB-LJQANCHMSA-N 1 3 342.487 2.808 20 0 EFADHO CN(CC[N@H+](C)Cc1cccc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001392267358 1355923094 /nfs/dbraw/zinc/92/30/94/1355923094.db2.gz ZHZFYNIMQJDKMM-HXUWFJFHSA-N 1 3 339.483 2.824 20 0 EFADHO CN(CC[N@@H+](C)Cc1cccc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001392267358 1355923096 /nfs/dbraw/zinc/92/30/96/1355923096.db2.gz ZHZFYNIMQJDKMM-HXUWFJFHSA-N 1 3 339.483 2.824 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001392279499 1355935072 /nfs/dbraw/zinc/93/50/72/1355935072.db2.gz PGPMOUWOHJYOHL-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001392279499 1355935076 /nfs/dbraw/zinc/93/50/76/1355935076.db2.gz PGPMOUWOHJYOHL-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC001392337460 1356004808 /nfs/dbraw/zinc/00/48/08/1356004808.db2.gz KUGVAMLEAFRIFL-LPHOPBHVSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1ccccc1C ZINC001392445447 1356043763 /nfs/dbraw/zinc/04/37/63/1356043763.db2.gz QPEZFYBLBMXSON-HUUCEWRRSA-N 1 3 328.460 2.815 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)CN1CC[C@H](C)C1 ZINC001392451579 1356047282 /nfs/dbraw/zinc/04/72/82/1356047282.db2.gz BBIMWLDRNZVIND-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001401086390 1362430195 /nfs/dbraw/zinc/43/01/95/1362430195.db2.gz GDDTWOGYOBGFQR-RCCFBDPRSA-N 1 3 325.541 2.835 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001392524306 1356097946 /nfs/dbraw/zinc/09/79/46/1356097946.db2.gz UFJOUPVWISITJZ-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001392524306 1356097947 /nfs/dbraw/zinc/09/79/47/1356097947.db2.gz UFJOUPVWISITJZ-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001392567328 1356125832 /nfs/dbraw/zinc/12/58/32/1356125832.db2.gz JAAOPNDAZBNHKR-HOTGVXAUSA-N 1 3 343.515 2.815 20 0 EFADHO C[C@@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001392618126 1356165683 /nfs/dbraw/zinc/16/56/83/1356165683.db2.gz ISTQDQPYWGUQLT-ZDUSSCGKSA-N 1 3 339.430 2.501 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001392657422 1356203346 /nfs/dbraw/zinc/20/33/46/1356203346.db2.gz AHZCYHTZCONRSF-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001392657422 1356203348 /nfs/dbraw/zinc/20/33/48/1356203348.db2.gz AHZCYHTZCONRSF-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392659531 1356206222 /nfs/dbraw/zinc/20/62/22/1356206222.db2.gz QQZCJJDXQHLENT-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392659531 1356206228 /nfs/dbraw/zinc/20/62/28/1356206228.db2.gz QQZCJJDXQHLENT-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1C ZINC001392718522 1356273707 /nfs/dbraw/zinc/27/37/07/1356273707.db2.gz CLJBBTPJDJVFCZ-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001392718522 1356273711 /nfs/dbraw/zinc/27/37/11/1356273711.db2.gz CLJBBTPJDJVFCZ-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001392766802 1356310292 /nfs/dbraw/zinc/31/02/92/1356310292.db2.gz RZMIOWOHJLMTMC-KUHUBIRLSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001392770939 1356313173 /nfs/dbraw/zinc/31/31/73/1356313173.db2.gz FTIDAJSEMPGBAA-UXHICEINSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)NC(=O)CN(C)C1CCC1 ZINC001401627985 1362982439 /nfs/dbraw/zinc/98/24/39/1362982439.db2.gz VHVNSXCVTBVDQG-ACJLOTCBSA-N 1 3 349.906 2.906 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001392810717 1356346554 /nfs/dbraw/zinc/34/65/54/1356346554.db2.gz XPWWGJRLWHVWQC-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2[C@@H]2CCCc3ccccc32)CC1 ZINC001392849346 1356373254 /nfs/dbraw/zinc/37/32/54/1356373254.db2.gz XJHLBJXMVGRYQU-IEBWSBKVSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392873332 1356396846 /nfs/dbraw/zinc/39/68/46/1356396846.db2.gz ZHPMDRUESXUWFN-MJGOQNOKSA-N 1 3 343.515 2.978 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1)CC(C)(C)C ZINC001392932079 1356442557 /nfs/dbraw/zinc/44/25/57/1356442557.db2.gz GEROMJLIZIWTBP-UHFFFAOYSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2C)CC1)N(C)C ZINC001392937362 1356446906 /nfs/dbraw/zinc/44/69/06/1356446906.db2.gz NUODFMMRWGCMPD-INIZCTEOSA-N 1 3 337.895 2.727 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001393035024 1356526921 /nfs/dbraw/zinc/52/69/21/1356526921.db2.gz JNJRUEDYGKJELE-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1csc(C)c1 ZINC001393084370 1356576367 /nfs/dbraw/zinc/57/63/67/1356576367.db2.gz FTINWZMLTJBMOQ-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1csc(C)c1 ZINC001393084370 1356576371 /nfs/dbraw/zinc/57/63/71/1356576371.db2.gz FTINWZMLTJBMOQ-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001402073550 1363378304 /nfs/dbraw/zinc/37/83/04/1363378304.db2.gz BLJPFUMLLVLOBJ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001393121166 1356622437 /nfs/dbraw/zinc/62/24/37/1356622437.db2.gz KTLWKAKARPTEAQ-OJLWIZQOSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001393121166 1356622441 /nfs/dbraw/zinc/62/24/41/1356622441.db2.gz KTLWKAKARPTEAQ-OJLWIZQOSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393156980 1356662146 /nfs/dbraw/zinc/66/21/46/1356662146.db2.gz FULHCKUFFPUZKT-FQEVSTJZSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393175210 1356681248 /nfs/dbraw/zinc/68/12/48/1356681248.db2.gz WTUDLAVVKXQJSJ-RDTXFTJFSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393175210 1356681252 /nfs/dbraw/zinc/68/12/52/1356681252.db2.gz WTUDLAVVKXQJSJ-RDTXFTJFSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001393597896 1356982066 /nfs/dbraw/zinc/98/20/66/1356982066.db2.gz SPXZIBXVBLKTCR-RTBURBONSA-N 1 3 349.494 2.883 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001393626260 1357018056 /nfs/dbraw/zinc/01/80/56/1357018056.db2.gz GCBRGSRPCXEHIA-WOJBJXKFSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001393626260 1357018060 /nfs/dbraw/zinc/01/80/60/1357018060.db2.gz GCBRGSRPCXEHIA-WOJBJXKFSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001393630872 1357024322 /nfs/dbraw/zinc/02/43/22/1357024322.db2.gz CYPZAYACRBFKIW-MRXNPFEDSA-N 1 3 328.460 2.802 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001393630872 1357024325 /nfs/dbraw/zinc/02/43/25/1357024325.db2.gz CYPZAYACRBFKIW-MRXNPFEDSA-N 1 3 328.460 2.802 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001393642746 1357042727 /nfs/dbraw/zinc/04/27/27/1357042727.db2.gz WVDIPNOWUGJCFQ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001393642746 1357042731 /nfs/dbraw/zinc/04/27/31/1357042731.db2.gz WVDIPNOWUGJCFQ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001393645337 1357046920 /nfs/dbraw/zinc/04/69/20/1357046920.db2.gz XQNDYRFDELKQOY-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001393645337 1357046922 /nfs/dbraw/zinc/04/69/22/1357046922.db2.gz XQNDYRFDELKQOY-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001394385607 1357757382 /nfs/dbraw/zinc/75/73/82/1357757382.db2.gz FFBOWXUCUYFZCS-RDTXFTJFSA-N 1 3 327.900 2.535 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001394385607 1357757384 /nfs/dbraw/zinc/75/73/84/1357757384.db2.gz FFBOWXUCUYFZCS-RDTXFTJFSA-N 1 3 327.900 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001394422969 1357800379 /nfs/dbraw/zinc/80/03/79/1357800379.db2.gz KXDPFAUOMPDWGW-MOPGFXCFSA-N 1 3 349.494 2.739 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001394443947 1357824249 /nfs/dbraw/zinc/82/42/49/1357824249.db2.gz BFCDRAGSEAFHNK-RTBURBONSA-N 1 3 340.471 2.930 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001394444052 1357824310 /nfs/dbraw/zinc/82/43/10/1357824310.db2.gz OJPVSYXYSRYKJM-RTBURBONSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001394495296 1357877353 /nfs/dbraw/zinc/87/73/53/1357877353.db2.gz KBUZYPXBOXZYEM-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC001394537695 1357923439 /nfs/dbraw/zinc/92/34/39/1357923439.db2.gz GKNANGUCAKTALJ-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1 ZINC001394545880 1357933036 /nfs/dbraw/zinc/93/30/36/1357933036.db2.gz WVJZOLPJGPGEJQ-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1 ZINC001394545880 1357933038 /nfs/dbraw/zinc/93/30/38/1357933038.db2.gz WVJZOLPJGPGEJQ-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394669645 1357986597 /nfs/dbraw/zinc/98/65/97/1357986597.db2.gz MVYKOMHZOAEISC-YJBOKZPZSA-N 1 3 349.494 2.883 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001394701341 1358027133 /nfs/dbraw/zinc/02/71/33/1358027133.db2.gz IQLKVHKGHCQWNS-WBVHZDCISA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001394702068 1358027165 /nfs/dbraw/zinc/02/71/65/1358027165.db2.gz ABQUGFIWXLNJJJ-SJLPKXTDSA-N 1 3 349.494 2.850 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001394701337 1358027790 /nfs/dbraw/zinc/02/77/90/1358027790.db2.gz IQLKVHKGHCQWNS-NVXWUHKLSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394708048 1358034535 /nfs/dbraw/zinc/03/45/35/1358034535.db2.gz QNYBROZOMOFKNK-HKUYNNGSSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1cccnc1CNC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001394829925 1358129251 /nfs/dbraw/zinc/12/92/51/1358129251.db2.gz AZRCHWWVOGCGMK-ROUUACIJSA-N 1 3 348.535 2.597 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCc2ccccc2F)C(C)(C)C)CC1 ZINC001394831010 1358131522 /nfs/dbraw/zinc/13/15/22/1358131522.db2.gz KBPFPDYJQKQTSZ-KRWDZBQOSA-N 1 3 349.494 2.788 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001394859462 1358166489 /nfs/dbraw/zinc/16/64/89/1358166489.db2.gz FRNLLDPYRKCGIG-IPJUCJBFSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001397093613 1359671114 /nfs/dbraw/zinc/67/11/14/1359671114.db2.gz APYQHNXPEKKOTM-QLFBSQMISA-N 1 3 349.441 2.686 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397093825 1359671215 /nfs/dbraw/zinc/67/12/15/1359671215.db2.gz DUBMQPRDMKKIKS-ZZCKCESHSA-N 1 3 335.467 2.711 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)cs1 ZINC001437137582 1387410548 /nfs/dbraw/zinc/41/05/48/1387410548.db2.gz QJFGBEZTDNMPJA-CQSZACIVSA-N 1 3 337.533 2.915 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001397138063 1359698932 /nfs/dbraw/zinc/69/89/32/1359698932.db2.gz AKHWSXZGCGVFPY-URJBQBQPSA-N 1 3 335.879 2.599 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)CC[NH+]1CCCCC1 ZINC001397563695 1359964684 /nfs/dbraw/zinc/96/46/84/1359964684.db2.gz BKUIATIZANRKBZ-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001397624682 1360010955 /nfs/dbraw/zinc/01/09/55/1360010955.db2.gz ITOBIGHRQMWTAR-YZGWKJHDSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1)N1CCCCC1 ZINC001397644050 1360023194 /nfs/dbraw/zinc/02/31/94/1360023194.db2.gz IAGNJWVNKFHXFO-HDJSIYSDSA-N 1 3 349.441 2.688 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001397652625 1360027457 /nfs/dbraw/zinc/02/74/57/1360027457.db2.gz SMVRCELKVBQOFI-RUCARUNLSA-N 1 3 343.515 2.718 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001397665394 1360035029 /nfs/dbraw/zinc/03/50/29/1360035029.db2.gz KPYHZRSGHSMQDM-DJIMGWMZSA-N 1 3 337.533 2.690 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001398348952 1360477510 /nfs/dbraw/zinc/47/75/10/1360477510.db2.gz YAVXZPLJGHPROR-QGZVFWFLSA-N 1 3 349.544 2.747 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001398404383 1360523237 /nfs/dbraw/zinc/52/32/37/1360523237.db2.gz KXSQYYNZHKYWCT-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001398420744 1360539083 /nfs/dbraw/zinc/53/90/83/1360539083.db2.gz YNESHNIKBRXOGA-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC001398531257 1360628603 /nfs/dbraw/zinc/62/86/03/1360628603.db2.gz CRZJBBGCWSEZEW-SOAMZJECSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3sccc3Cl)C2)CCC1 ZINC001398543850 1360637500 /nfs/dbraw/zinc/63/75/00/1360637500.db2.gz ZMONOJHWVGWTKP-HAQNSBGRSA-N 1 3 341.908 2.623 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC001398587223 1360659185 /nfs/dbraw/zinc/65/91/85/1360659185.db2.gz YJRMUTFMAHFIAO-ULQDDVLXSA-N 1 3 347.478 3.000 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001437211793 1387473591 /nfs/dbraw/zinc/47/35/91/1387473591.db2.gz STNUOEUJDFSKDV-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786900 1360790366 /nfs/dbraw/zinc/79/03/66/1360790366.db2.gz CZNXZXLJTKAODB-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786900 1360790369 /nfs/dbraw/zinc/79/03/69/1360790369.db2.gz CZNXZXLJTKAODB-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001398956068 1360894061 /nfs/dbraw/zinc/89/40/61/1360894061.db2.gz TTYNOXLDEQYNOY-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001398958215 1360895589 /nfs/dbraw/zinc/89/55/89/1360895589.db2.gz VXNRMLRKVWVBPX-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001398958225 1360895601 /nfs/dbraw/zinc/89/56/01/1360895601.db2.gz VXNRMLRKVWVBPX-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc(C)ccc1C ZINC001492878638 1360926122 /nfs/dbraw/zinc/92/61/22/1360926122.db2.gz KFDLLVSBNNLXEB-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001492878638 1360926126 /nfs/dbraw/zinc/92/61/26/1360926126.db2.gz KFDLLVSBNNLXEB-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001399059895 1360965279 /nfs/dbraw/zinc/96/52/79/1360965279.db2.gz YOLKGAURSWQPRC-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001399088823 1360984826 /nfs/dbraw/zinc/98/48/26/1360984826.db2.gz FSZADNULGNKBAD-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001399088851 1360985212 /nfs/dbraw/zinc/98/52/12/1360985212.db2.gz FSZADNULGNKBAD-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001399252920 1361101074 /nfs/dbraw/zinc/10/10/74/1361101074.db2.gz QQXYBAXZFSWFOL-MFYHJKBNSA-N 1 3 348.318 2.620 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001399336821 1361159384 /nfs/dbraw/zinc/15/93/84/1361159384.db2.gz KBBAVRLDDSCQFN-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001399389083 1361188742 /nfs/dbraw/zinc/18/87/42/1361188742.db2.gz IXJBTNKVVAHJLA-OAHLLOKOSA-N 1 3 337.483 2.788 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001399422209 1361212753 /nfs/dbraw/zinc/21/27/53/1361212753.db2.gz WRVCXPQSCWASIJ-KBXCAEBGSA-N 1 3 335.467 2.639 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001399478667 1361261718 /nfs/dbraw/zinc/26/17/18/1361261718.db2.gz FCHDEBJAHPAWFN-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001399478667 1361261723 /nfs/dbraw/zinc/26/17/23/1361261723.db2.gz FCHDEBJAHPAWFN-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[N@H+](CCCc1ccccc1)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399497950 1361279589 /nfs/dbraw/zinc/27/95/89/1361279589.db2.gz LKAFRFROXOAPOG-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO C[N@@H+](CCCc1ccccc1)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001399497950 1361279592 /nfs/dbraw/zinc/27/95/92/1361279592.db2.gz LKAFRFROXOAPOG-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399576691 1361345182 /nfs/dbraw/zinc/34/51/82/1361345182.db2.gz IKVHWOPFEBUQBG-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001399590951 1361357741 /nfs/dbraw/zinc/35/77/41/1361357741.db2.gz CGGJKDJDUCSDFV-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001399809384 1361510360 /nfs/dbraw/zinc/51/03/60/1361510360.db2.gz KCGFCBVAJXJGIT-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001399809384 1361510366 /nfs/dbraw/zinc/51/03/66/1361510366.db2.gz KCGFCBVAJXJGIT-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)c1cccc(Cl)c1 ZINC001399829158 1361521973 /nfs/dbraw/zinc/52/19/73/1361521973.db2.gz QFMRQDVTFQDDGP-HOCLYGCPSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](C)c1cccc(Cl)c1 ZINC001399829158 1361521975 /nfs/dbraw/zinc/52/19/75/1361521975.db2.gz QFMRQDVTFQDDGP-HOCLYGCPSA-N 1 3 337.895 2.791 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399847343 1361528092 /nfs/dbraw/zinc/52/80/92/1361528092.db2.gz HHJDHDAWWLGXRI-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399847343 1361528093 /nfs/dbraw/zinc/52/80/93/1361528093.db2.gz HHJDHDAWWLGXRI-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001399865688 1361536417 /nfs/dbraw/zinc/53/64/17/1361536417.db2.gz HYUAKYGKIXVPFF-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001399948649 1361602068 /nfs/dbraw/zinc/60/20/68/1361602068.db2.gz SKZZIJRNMBOCOJ-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001399948649 1361602074 /nfs/dbraw/zinc/60/20/74/1361602074.db2.gz SKZZIJRNMBOCOJ-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001399953662 1361606959 /nfs/dbraw/zinc/60/69/59/1361606959.db2.gz QOXBACNJDOUTCM-SFHVURJKSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(C)c(F)c2)C1 ZINC001399953662 1361606964 /nfs/dbraw/zinc/60/69/64/1361606964.db2.gz QOXBACNJDOUTCM-SFHVURJKSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001399954385 1361608096 /nfs/dbraw/zinc/60/80/96/1361608096.db2.gz XGQYYRCFUOVZHF-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001399954385 1361608100 /nfs/dbraw/zinc/60/81/00/1361608100.db2.gz XGQYYRCFUOVZHF-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001399954379 1361608252 /nfs/dbraw/zinc/60/82/52/1361608252.db2.gz XGQYYRCFUOVZHF-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001399954379 1361608257 /nfs/dbraw/zinc/60/82/57/1361608257.db2.gz XGQYYRCFUOVZHF-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001399954900 1361608668 /nfs/dbraw/zinc/60/86/68/1361608668.db2.gz RMCLNZUTKOKHSP-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001399954900 1361608671 /nfs/dbraw/zinc/60/86/71/1361608671.db2.gz RMCLNZUTKOKHSP-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1)N(C)C ZINC001399960288 1361613635 /nfs/dbraw/zinc/61/36/35/1361613635.db2.gz YZFAAZMOOFCIAW-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)N(C)C ZINC001399960288 1361613638 /nfs/dbraw/zinc/61/36/38/1361613638.db2.gz YZFAAZMOOFCIAW-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccc2c(c1)CCC2)C1CC1)N(C)C ZINC001400001930 1361654182 /nfs/dbraw/zinc/65/41/82/1361654182.db2.gz IXDWGMSILQOECF-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1)N(C)C ZINC001400001930 1361654184 /nfs/dbraw/zinc/65/41/84/1361654184.db2.gz IXDWGMSILQOECF-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001400003633 1361655983 /nfs/dbraw/zinc/65/59/83/1361655983.db2.gz KSQUOGBEGWOILD-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001400003633 1361655986 /nfs/dbraw/zinc/65/59/86/1361655986.db2.gz KSQUOGBEGWOILD-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO C[NH+](C)CCCC(=O)NCCN(C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001400022731 1361672528 /nfs/dbraw/zinc/67/25/28/1361672528.db2.gz LXBKCGYMCPGPQN-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(C)c(CN(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)c1 ZINC001400023268 1361674200 /nfs/dbraw/zinc/67/42/00/1361674200.db2.gz MHSOJTMLZZRHEQ-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400027917 1361678322 /nfs/dbraw/zinc/67/83/22/1361678322.db2.gz JMCFUGCTVQOVNZ-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400027917 1361678326 /nfs/dbraw/zinc/67/83/26/1361678326.db2.gz JMCFUGCTVQOVNZ-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400027914 1361678539 /nfs/dbraw/zinc/67/85/39/1361678539.db2.gz JMCFUGCTVQOVNZ-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400027914 1361678544 /nfs/dbraw/zinc/67/85/44/1361678544.db2.gz JMCFUGCTVQOVNZ-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C2CC2)cc1 ZINC001400042178 1361691876 /nfs/dbraw/zinc/69/18/76/1361691876.db2.gz QXNZNLYKWUOXFK-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1ccccc1)C1CC1 ZINC001400053411 1361701508 /nfs/dbraw/zinc/70/15/08/1361701508.db2.gz JLWGRBWHIMXQQF-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001400053411 1361701512 /nfs/dbraw/zinc/70/15/12/1361701512.db2.gz JLWGRBWHIMXQQF-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001437309497 1387533689 /nfs/dbraw/zinc/53/36/89/1387533689.db2.gz BVHUBYHBMOVJHB-CYBMUJFWSA-N 1 3 343.924 2.681 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001400179234 1361817875 /nfs/dbraw/zinc/81/78/75/1361817875.db2.gz DFIDEBDIEGUNLX-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001400179234 1361817878 /nfs/dbraw/zinc/81/78/78/1361817878.db2.gz DFIDEBDIEGUNLX-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001400183439 1361823444 /nfs/dbraw/zinc/82/34/44/1361823444.db2.gz KLNLKFNCNTVFSD-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001400183439 1361823447 /nfs/dbraw/zinc/82/34/47/1361823447.db2.gz KLNLKFNCNTVFSD-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001400188815 1361831047 /nfs/dbraw/zinc/83/10/47/1361831047.db2.gz WAHQQIVSGYPNKG-VQTJNVASSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001400188815 1361831048 /nfs/dbraw/zinc/83/10/48/1361831048.db2.gz WAHQQIVSGYPNKG-VQTJNVASSA-N 1 3 345.531 2.644 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)cc1 ZINC001400194844 1361834992 /nfs/dbraw/zinc/83/49/92/1361834992.db2.gz ZLSWHGHEGSPGSQ-QYSIDVQXSA-N 1 3 349.906 2.943 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001400200470 1361839833 /nfs/dbraw/zinc/83/98/33/1361839833.db2.gz KHDHJMKTTLIXMY-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001400200470 1361839837 /nfs/dbraw/zinc/83/98/37/1361839837.db2.gz KHDHJMKTTLIXMY-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CCC[NH+]3CCCC3)C2)cc1C ZINC001400566687 1362027642 /nfs/dbraw/zinc/02/76/42/1362027642.db2.gz AORMTSZFJGRYEA-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001400628678 1362059273 /nfs/dbraw/zinc/05/92/73/1362059273.db2.gz BZFHMAZDOHYSHZ-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001400657982 1362074645 /nfs/dbraw/zinc/07/46/45/1362074645.db2.gz LEDGMKXPTGAUBA-MOPGFXCFSA-N 1 3 349.494 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001400657982 1362074648 /nfs/dbraw/zinc/07/46/48/1362074648.db2.gz LEDGMKXPTGAUBA-MOPGFXCFSA-N 1 3 349.494 2.535 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](CC)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001400810584 1362178093 /nfs/dbraw/zinc/17/80/93/1362178093.db2.gz GYELUXXBZKFIOB-SFHVURJKSA-N 1 3 331.504 2.718 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001400814686 1362180071 /nfs/dbraw/zinc/18/00/71/1362180071.db2.gz QPOLTVRMIOPCPB-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001400814671 1362180137 /nfs/dbraw/zinc/18/01/37/1362180137.db2.gz QPOLTVRMIOPCPB-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)sc1C ZINC001400816289 1362181569 /nfs/dbraw/zinc/18/15/69/1362181569.db2.gz XEJAWRBGAXWZJC-INIZCTEOSA-N 1 3 337.533 2.834 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC001401053553 1362398387 /nfs/dbraw/zinc/39/83/87/1362398387.db2.gz YTOSHPJTXWPDTK-VLIAUNLRSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1)N(C)C ZINC001401059525 1362402355 /nfs/dbraw/zinc/40/23/55/1362402355.db2.gz ZOFKGFMOTGTNJO-ZOBUZTSGSA-N 1 3 337.533 2.648 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCC1CCN(Cc2cccc(F)c2)CC1 ZINC001401080122 1362423636 /nfs/dbraw/zinc/42/36/36/1362423636.db2.gz USZRCVGZDZKWIJ-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCC1CCN(Cc2cccc(F)c2)CC1 ZINC001401080122 1362423641 /nfs/dbraw/zinc/42/36/41/1362423641.db2.gz USZRCVGZDZKWIJ-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001401113379 1362450780 /nfs/dbraw/zinc/45/07/80/1362450780.db2.gz ATKCITGVALPQJH-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401133895 1362470757 /nfs/dbraw/zinc/47/07/57/1362470757.db2.gz VPZOERCGJRJODB-IAGOWNOFSA-N 1 3 337.552 2.887 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001401134982 1362472071 /nfs/dbraw/zinc/47/20/71/1362472071.db2.gz JSAGAIBNCLNRLP-YPMHNXCESA-N 1 3 331.913 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401140201 1362476438 /nfs/dbraw/zinc/47/64/38/1362476438.db2.gz VMRRXSOGHVOZEA-BBRMVZONSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001401148038 1362484741 /nfs/dbraw/zinc/48/47/41/1362484741.db2.gz VOAYJGDDCOZFKM-KBXCAEBGSA-N 1 3 337.483 2.562 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)cs1 ZINC001437354395 1387576029 /nfs/dbraw/zinc/57/60/29/1387576029.db2.gz XWQFPVGTTWRSQK-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)cs1 ZINC001437354396 1387576254 /nfs/dbraw/zinc/57/62/54/1387576254.db2.gz XWQFPVGTTWRSQK-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001401256535 1362595559 /nfs/dbraw/zinc/59/55/59/1362595559.db2.gz IGLVDIOKJCAYAQ-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001401288502 1362635289 /nfs/dbraw/zinc/63/52/89/1362635289.db2.gz DLDWHJIIMJFGCX-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1 ZINC001401311152 1362659607 /nfs/dbraw/zinc/65/96/07/1362659607.db2.gz VTTMXFUZWGLBAW-UITAMQMPSA-N 1 3 329.916 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1 ZINC001401311152 1362659611 /nfs/dbraw/zinc/65/96/11/1362659611.db2.gz VTTMXFUZWGLBAW-UITAMQMPSA-N 1 3 329.916 2.641 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001401344087 1362691737 /nfs/dbraw/zinc/69/17/37/1362691737.db2.gz SONIEOYGBFLQKZ-IBGZPJMESA-N 1 3 342.487 2.808 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001401376961 1362727828 /nfs/dbraw/zinc/72/78/28/1362727828.db2.gz JDDSJXSDZJUZBT-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001401376961 1362727832 /nfs/dbraw/zinc/72/78/32/1362727832.db2.gz JDDSJXSDZJUZBT-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2ccc(F)cc21)C(=O)CCC[NH+](C)C ZINC001401384715 1362738835 /nfs/dbraw/zinc/73/88/35/1362738835.db2.gz QEVFPFNOLUXONF-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001401647853 1362997854 /nfs/dbraw/zinc/99/78/54/1362997854.db2.gz OBWHCFABOUDOOA-MRXNPFEDSA-N 1 3 349.519 2.576 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001401704200 1363038240 /nfs/dbraw/zinc/03/82/40/1363038240.db2.gz XOIFZYUVQXVKPJ-VUCTXSBTSA-N 1 3 337.895 2.762 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CNCc2ccccc2F)CC1 ZINC001401707308 1363041403 /nfs/dbraw/zinc/04/14/03/1363041403.db2.gz CMQYCEMPBFOAQT-HNNXBMFYSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1)[NH+](C)C ZINC001401780747 1363120875 /nfs/dbraw/zinc/12/08/75/1363120875.db2.gz LKTWNJBRZZVVFW-FXKMFSNRSA-N 1 3 331.504 2.723 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001401792560 1363136783 /nfs/dbraw/zinc/13/67/83/1363136783.db2.gz CHJMJNHVPFKJOC-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001401792560 1363136787 /nfs/dbraw/zinc/13/67/87/1363136787.db2.gz CHJMJNHVPFKJOC-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)[C@H](CC)C1 ZINC001401879540 1363210028 /nfs/dbraw/zinc/21/00/28/1363210028.db2.gz QMKJKORHAJTSNR-MJGOQNOKSA-N 1 3 349.494 2.884 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC001401986737 1363303664 /nfs/dbraw/zinc/30/36/64/1363303664.db2.gz PHSNPTIVRVNRKE-KZSQQDEKSA-N 1 3 347.890 2.543 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC001401986737 1363303667 /nfs/dbraw/zinc/30/36/67/1363303667.db2.gz PHSNPTIVRVNRKE-KZSQQDEKSA-N 1 3 347.890 2.543 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001402055231 1363362946 /nfs/dbraw/zinc/36/29/46/1363362946.db2.gz GSYNMOSQLMRTOZ-CHWSQXEVSA-N 1 3 348.318 2.759 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(CC)c1 ZINC001402068768 1363374615 /nfs/dbraw/zinc/37/46/15/1363374615.db2.gz HWXIYQNZEVEFPC-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001402085748 1363389440 /nfs/dbraw/zinc/38/94/40/1363389440.db2.gz JSAHKBKYILCQBD-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001402087334 1363390983 /nfs/dbraw/zinc/39/09/83/1363390983.db2.gz FCXMWNBLWGYUBA-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001402089355 1363393965 /nfs/dbraw/zinc/39/39/65/1363393965.db2.gz FLBBEPQBVCCOMI-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001402089355 1363393967 /nfs/dbraw/zinc/39/39/67/1363393967.db2.gz FLBBEPQBVCCOMI-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001402169212 1363476259 /nfs/dbraw/zinc/47/62/59/1363476259.db2.gz IQDAADGZTLANSK-PZJWPPBQSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001402195873 1363503207 /nfs/dbraw/zinc/50/32/07/1363503207.db2.gz WWLLVLJWZKAZQI-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001402308014 1363597744 /nfs/dbraw/zinc/59/77/44/1363597744.db2.gz GMLNYVUYOGRCQP-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)C1CC1)N(C)C ZINC001402349067 1363620364 /nfs/dbraw/zinc/62/03/64/1363620364.db2.gz AACGCYGJUZBYJQ-UXHICEINSA-N 1 3 345.531 2.936 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1 ZINC001402418736 1363678327 /nfs/dbraw/zinc/67/83/27/1363678327.db2.gz AQNBSAFBRMKQNL-NXHRZFHOSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1 ZINC001402418736 1363678331 /nfs/dbraw/zinc/67/83/31/1363678331.db2.gz AQNBSAFBRMKQNL-NXHRZFHOSA-N 1 3 347.478 2.619 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001402525511 1363759831 /nfs/dbraw/zinc/75/98/31/1363759831.db2.gz YITFJTXCBPGOQO-LNLFQRSKSA-N 1 3 346.519 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622425 1363847667 /nfs/dbraw/zinc/84/76/67/1363847667.db2.gz YBDDSLQOZRGYDD-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622425 1363847671 /nfs/dbraw/zinc/84/76/71/1363847671.db2.gz YBDDSLQOZRGYDD-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622424 1363848045 /nfs/dbraw/zinc/84/80/45/1363848045.db2.gz YBDDSLQOZRGYDD-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622424 1363848050 /nfs/dbraw/zinc/84/80/50/1363848050.db2.gz YBDDSLQOZRGYDD-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402676721 1363925715 /nfs/dbraw/zinc/92/57/15/1363925715.db2.gz KIRHSIRDFLAPAA-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402676721 1363925719 /nfs/dbraw/zinc/92/57/19/1363925719.db2.gz KIRHSIRDFLAPAA-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001402676696 1363925858 /nfs/dbraw/zinc/92/58/58/1363925858.db2.gz KIRHSIRDFLAPAA-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402676696 1363925864 /nfs/dbraw/zinc/92/58/64/1363925864.db2.gz KIRHSIRDFLAPAA-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001402683989 1363933307 /nfs/dbraw/zinc/93/33/07/1363933307.db2.gz JAGJDYBNIDBTPQ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001402683989 1363933313 /nfs/dbraw/zinc/93/33/13/1363933313.db2.gz JAGJDYBNIDBTPQ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001402799547 1364046647 /nfs/dbraw/zinc/04/66/47/1364046647.db2.gz ZIPSKOMNWMBTRU-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001402809771 1364056764 /nfs/dbraw/zinc/05/67/64/1364056764.db2.gz COZGVOIMKMKOJU-QFBILLFUSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@@H](C)C1 ZINC001402809771 1364056768 /nfs/dbraw/zinc/05/67/68/1364056768.db2.gz COZGVOIMKMKOJU-QFBILLFUSA-N 1 3 346.519 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC001402965510 1364164510 /nfs/dbraw/zinc/16/45/10/1364164510.db2.gz QTEPRNMAAOGDEO-HKUYNNGSSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)C1 ZINC001402965510 1364164516 /nfs/dbraw/zinc/16/45/16/1364164516.db2.gz QTEPRNMAAOGDEO-HKUYNNGSSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1Cl ZINC001402981505 1364179026 /nfs/dbraw/zinc/17/90/26/1364179026.db2.gz OKQMCIJZDMLBHY-ZIAGYGMSSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1Cl ZINC001402981498 1364179466 /nfs/dbraw/zinc/17/94/66/1364179466.db2.gz OKQMCIJZDMLBHY-KBPBESRZSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001402999759 1364198464 /nfs/dbraw/zinc/19/84/64/1364198464.db2.gz JOTSMCGTMVFHBU-KBXCAEBGSA-N 1 3 349.494 2.885 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001437463309 1387667507 /nfs/dbraw/zinc/66/75/07/1387667507.db2.gz NJTPZTKHFPOPHY-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001437463309 1387667512 /nfs/dbraw/zinc/66/75/12/1387667512.db2.gz NJTPZTKHFPOPHY-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001403087820 1364292868 /nfs/dbraw/zinc/29/28/68/1364292868.db2.gz MBTISYIGXCPPBM-DAWZGUTISA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)c1cccc(F)c1 ZINC001403088167 1364293519 /nfs/dbraw/zinc/29/35/19/1364293519.db2.gz JTOZJMCFSVPTDV-CQSZACIVSA-N 1 3 346.450 2.927 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001403097807 1364304484 /nfs/dbraw/zinc/30/44/84/1364304484.db2.gz HMFHVIWSLURCJL-OLZOCXBDSA-N 1 3 343.874 2.976 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1cccc(F)c1 ZINC001403219961 1364441745 /nfs/dbraw/zinc/44/17/45/1364441745.db2.gz GDIFWLRBDSETFK-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001403292112 1364507217 /nfs/dbraw/zinc/50/72/17/1364507217.db2.gz MDIZPCJKKXELCO-OLZOCXBDSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001403325901 1364543809 /nfs/dbraw/zinc/54/38/09/1364543809.db2.gz YGMJJJBFUDQGQZ-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001403325901 1364543813 /nfs/dbraw/zinc/54/38/13/1364543813.db2.gz YGMJJJBFUDQGQZ-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001403327944 1364545602 /nfs/dbraw/zinc/54/56/02/1364545602.db2.gz OBKYRRFGPNZCDB-UZLBHIALSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001403341337 1364556004 /nfs/dbraw/zinc/55/60/04/1364556004.db2.gz BHEPAPBGHABQNU-LPHOPBHVSA-N 1 3 331.504 2.518 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001403341259 1364556064 /nfs/dbraw/zinc/55/60/64/1364556064.db2.gz BFYFGUJHMSPDEP-BBRMVZONSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001403360264 1364571225 /nfs/dbraw/zinc/57/12/25/1364571225.db2.gz VZVATSYSIWDEIY-QAPCUYQASA-N 1 3 337.552 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001403402351 1364607566 /nfs/dbraw/zinc/60/75/66/1364607566.db2.gz DDVBFESETTUIGG-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCCN(Cc1csc(C)c1)C2 ZINC001403402351 1364607569 /nfs/dbraw/zinc/60/75/69/1364607569.db2.gz DDVBFESETTUIGG-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCCc2ccccc2)CC1)N(C)C ZINC001403462219 1364664523 /nfs/dbraw/zinc/66/45/23/1364664523.db2.gz KKXQUTLBUFWZGM-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCCc2ccccc2)CC1)N(C)C ZINC001403462219 1364664531 /nfs/dbraw/zinc/66/45/31/1364664531.db2.gz KKXQUTLBUFWZGM-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403523843 1364729021 /nfs/dbraw/zinc/72/90/21/1364729021.db2.gz JDZWLSXGZMZWCS-WOJBJXKFSA-N 1 3 345.531 2.908 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCc1ccccc1 ZINC001403594028 1364797918 /nfs/dbraw/zinc/79/79/18/1364797918.db2.gz NTBUWNPPNCGDCY-QGZVFWFLSA-N 1 3 333.520 2.644 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001403613586 1364816891 /nfs/dbraw/zinc/81/68/91/1364816891.db2.gz YGPBFHDFOBHFTL-IBGZPJMESA-N 1 3 349.494 2.537 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001403613586 1364816894 /nfs/dbraw/zinc/81/68/94/1364816894.db2.gz YGPBFHDFOBHFTL-IBGZPJMESA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001403763235 1364910882 /nfs/dbraw/zinc/91/08/82/1364910882.db2.gz QOVAZUMMBOLLOU-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001403763235 1364910886 /nfs/dbraw/zinc/91/08/86/1364910886.db2.gz QOVAZUMMBOLLOU-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001403770394 1364918849 /nfs/dbraw/zinc/91/88/49/1364918849.db2.gz NDBFLGDGFZLRBZ-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CF)cc2)[C@H]1C ZINC001403807975 1364962467 /nfs/dbraw/zinc/96/24/67/1364962467.db2.gz VMGMQACQFYXEFZ-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CF)cc2)[C@H]1C ZINC001403807975 1364962471 /nfs/dbraw/zinc/96/24/71/1364962471.db2.gz VMGMQACQFYXEFZ-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)C1(N(C)C)CCC1 ZINC001403858283 1365001926 /nfs/dbraw/zinc/00/19/26/1365001926.db2.gz QYWZYLRQFAIDET-WQLSENKSSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](C/C=C\c1ccccc1)CCNC(=O)C1(N(C)C)CCC1 ZINC001403858283 1365001932 /nfs/dbraw/zinc/00/19/32/1365001932.db2.gz QYWZYLRQFAIDET-WQLSENKSSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCc2c1cccc2F ZINC001403915949 1365038426 /nfs/dbraw/zinc/03/84/26/1365038426.db2.gz UQKXOTMJNDDJDK-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCc2c1cccc2F ZINC001403915949 1365038430 /nfs/dbraw/zinc/03/84/30/1365038430.db2.gz UQKXOTMJNDDJDK-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCCc2ccccc21 ZINC001403932131 1365059934 /nfs/dbraw/zinc/05/99/34/1365059934.db2.gz OMZAWAKTMLMOHR-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCCc2ccccc21 ZINC001403932131 1365059938 /nfs/dbraw/zinc/05/99/38/1365059938.db2.gz OMZAWAKTMLMOHR-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001437517610 1387721065 /nfs/dbraw/zinc/72/10/65/1387721065.db2.gz QNBAPRTUGMIMBH-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001437517610 1387721070 /nfs/dbraw/zinc/72/10/70/1387721070.db2.gz QNBAPRTUGMIMBH-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001404023003 1365179377 /nfs/dbraw/zinc/17/93/77/1365179377.db2.gz ZCDOUJZLSHDQRA-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001404023003 1365179382 /nfs/dbraw/zinc/17/93/82/1365179382.db2.gz ZCDOUJZLSHDQRA-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001404070178 1365229613 /nfs/dbraw/zinc/22/96/13/1365229613.db2.gz FDHVOIBAVYYNMI-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001404070178 1365229616 /nfs/dbraw/zinc/22/96/16/1365229616.db2.gz FDHVOIBAVYYNMI-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090461 1365250410 /nfs/dbraw/zinc/25/04/10/1365250410.db2.gz RTGSHUZXHNQEMJ-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090461 1365250417 /nfs/dbraw/zinc/25/04/17/1365250417.db2.gz RTGSHUZXHNQEMJ-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)c(F)c1 ZINC001404157229 1365314183 /nfs/dbraw/zinc/31/41/83/1365314183.db2.gz KXDBBFZRSJVOLG-INIZCTEOSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)c(F)c1 ZINC001404157229 1365314187 /nfs/dbraw/zinc/31/41/87/1365314187.db2.gz KXDBBFZRSJVOLG-INIZCTEOSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C2CC2)c1 ZINC001404222249 1365365025 /nfs/dbraw/zinc/36/50/25/1365365025.db2.gz FFYGFPHFPANVHS-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C2CC2)c1 ZINC001404222249 1365365027 /nfs/dbraw/zinc/36/50/27/1365365027.db2.gz FFYGFPHFPANVHS-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001404317470 1365446499 /nfs/dbraw/zinc/44/64/99/1365446499.db2.gz IAOMPPUPBNUGJO-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001404317470 1365446504 /nfs/dbraw/zinc/44/65/04/1365446504.db2.gz IAOMPPUPBNUGJO-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001404709658 1365784239 /nfs/dbraw/zinc/78/42/39/1365784239.db2.gz PEBPFEDYZRRRGC-KRWDZBQOSA-N 1 3 349.544 2.747 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+]([C@H]3CCCc4ccccc43)C2)CCC1 ZINC001404890994 1365884521 /nfs/dbraw/zinc/88/45/21/1365884521.db2.gz UGQDDLOELIZWOQ-IBGZPJMESA-N 1 3 341.499 2.596 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001404892571 1365885317 /nfs/dbraw/zinc/88/53/17/1365885317.db2.gz OVKOQXKUCWKBPI-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1CN(Cc2ccc3ccccc3c2)C1 ZINC001404905284 1365897288 /nfs/dbraw/zinc/89/72/88/1365897288.db2.gz NVNAEHQUMURCRG-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCc1cccc(C)c1 ZINC001437568317 1387778556 /nfs/dbraw/zinc/77/85/56/1387778556.db2.gz AACNRLGGPIKFDP-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCc1cccc(C)c1 ZINC001437568317 1387778562 /nfs/dbraw/zinc/77/85/62/1387778562.db2.gz AACNRLGGPIKFDP-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001405068259 1365999555 /nfs/dbraw/zinc/99/95/55/1365999555.db2.gz MFCHDBVDASOZBL-QZTJIDSGSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001405068259 1365999558 /nfs/dbraw/zinc/99/95/58/1365999558.db2.gz MFCHDBVDASOZBL-QZTJIDSGSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001405141655 1366052866 /nfs/dbraw/zinc/05/28/66/1366052866.db2.gz GMFIVWGPQCOXMW-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccccc1Cl ZINC001405357056 1366161153 /nfs/dbraw/zinc/16/11/53/1366161153.db2.gz SFSKOHJGGAUOTR-HNNXBMFYSA-N 1 3 348.878 2.641 20 0 EFADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001405359867 1366162771 /nfs/dbraw/zinc/16/27/71/1366162771.db2.gz ZCGYMFUCOZZZJT-OAHLLOKOSA-N 1 3 345.409 2.799 20 0 EFADHO CC[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001405359861 1366163019 /nfs/dbraw/zinc/16/30/19/1366163019.db2.gz ZCGYMFUCOZZZJT-HNNXBMFYSA-N 1 3 345.409 2.799 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CC2CCC2)CCCC[C@@H]1C ZINC001405477046 1366228306 /nfs/dbraw/zinc/22/83/06/1366228306.db2.gz QMJUUJIAQVKDFW-LIRRHRJNSA-N 1 3 332.492 2.715 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001405558657 1366294484 /nfs/dbraw/zinc/29/44/84/1366294484.db2.gz JGTMULIKDCOSCS-ASRSSLEJSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001405558657 1366294491 /nfs/dbraw/zinc/29/44/91/1366294491.db2.gz JGTMULIKDCOSCS-ASRSSLEJSA-N 1 3 341.927 2.832 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1 ZINC001405593513 1366309835 /nfs/dbraw/zinc/30/98/35/1366309835.db2.gz OCOUYGQMRSGMKH-GUDVDZBRSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001405664820 1366327935 /nfs/dbraw/zinc/32/79/35/1366327935.db2.gz GPHYVIRZWWXZKK-WFASDCNBSA-N 1 3 345.940 2.830 20 0 EFADHO CCCOc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001405788346 1366416413 /nfs/dbraw/zinc/41/64/13/1366416413.db2.gz BLXAVDQWQXRFSY-QFBILLFUSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001405792777 1366419033 /nfs/dbraw/zinc/41/90/33/1366419033.db2.gz RBJHSSAYJNXXRC-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001405802932 1366426273 /nfs/dbraw/zinc/42/62/73/1366426273.db2.gz ZRIAQKKICDNKHG-FXAWDEMLSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)CN(C)C1CCC1 ZINC001405818221 1366437008 /nfs/dbraw/zinc/43/70/08/1366437008.db2.gz ADPUZMKUMHGESX-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCc2ccc(F)cc21 ZINC001437595272 1387805519 /nfs/dbraw/zinc/80/55/19/1387805519.db2.gz PSIHCXBLNZWNFG-BJZITVGISA-N 1 3 347.478 2.591 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCc2ccc(F)cc21 ZINC001437595272 1387805529 /nfs/dbraw/zinc/80/55/29/1387805529.db2.gz PSIHCXBLNZWNFG-BJZITVGISA-N 1 3 347.478 2.591 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001437599026 1387811624 /nfs/dbraw/zinc/81/16/24/1387811624.db2.gz QIRHJITZBIFKOY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(F)cc1C ZINC001437599026 1387811627 /nfs/dbraw/zinc/81/16/27/1387811627.db2.gz QIRHJITZBIFKOY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO C[C@@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001405848461 1366460039 /nfs/dbraw/zinc/46/00/39/1366460039.db2.gz HWAFCQWJVLUPLN-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)cs1 ZINC001405863315 1366473088 /nfs/dbraw/zinc/47/30/88/1366473088.db2.gz BCSMDLWXZZBFPE-HNNXBMFYSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001405979692 1367043518 /nfs/dbraw/zinc/04/35/18/1367043518.db2.gz SWVXMYAXXZTTLI-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001405979689 1367044007 /nfs/dbraw/zinc/04/40/07/1367044007.db2.gz SWVXMYAXXZTTLI-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001406109630 1367243763 /nfs/dbraw/zinc/24/37/63/1367243763.db2.gz UWRVARJTXNUUNQ-MSOLQXFVSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001406109630 1367243772 /nfs/dbraw/zinc/24/37/72/1367243772.db2.gz UWRVARJTXNUUNQ-MSOLQXFVSA-N 1 3 335.467 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001406184780 1367382562 /nfs/dbraw/zinc/38/25/62/1367382562.db2.gz NANOBCIWGGERBD-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001406184780 1367382567 /nfs/dbraw/zinc/38/25/67/1367382567.db2.gz NANOBCIWGGERBD-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001406397077 1367546629 /nfs/dbraw/zinc/54/66/29/1367546629.db2.gz SHMUDEWBIQGEIO-IIYDPXPESA-N 1 3 341.446 2.706 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1ccc(Cl)cc1F)[NH+](C)C ZINC001406513820 1367671135 /nfs/dbraw/zinc/67/11/35/1367671135.db2.gz NEMYMAMDBYIWBQ-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639150 1367845352 /nfs/dbraw/zinc/84/53/52/1367845352.db2.gz ROBBSKYBOLEEAH-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639150 1367845356 /nfs/dbraw/zinc/84/53/56/1367845356.db2.gz ROBBSKYBOLEEAH-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[N@H+](CCNC(=O)C(C)(C)N1CCCCC1)CCc1ccccc1 ZINC001492954643 1368022722 /nfs/dbraw/zinc/02/27/22/1368022722.db2.gz RAYBZBYIQLXIDI-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO CC[N@@H+](CCNC(=O)C(C)(C)N1CCCCC1)CCc1ccccc1 ZINC001492954643 1368022728 /nfs/dbraw/zinc/02/27/28/1368022728.db2.gz RAYBZBYIQLXIDI-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccc(F)cc1 ZINC001406770608 1368027238 /nfs/dbraw/zinc/02/72/38/1368027238.db2.gz GVWZWBRUZATHEW-IFXJQAMLSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccc(F)cc1 ZINC001406770603 1368027593 /nfs/dbraw/zinc/02/75/93/1368027593.db2.gz GVWZWBRUZATHEW-AUUYWEPGSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001406770501 1368027802 /nfs/dbraw/zinc/02/78/02/1368027802.db2.gz GLSCCMVIFGROKL-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001406775444 1368033494 /nfs/dbraw/zinc/03/34/94/1368033494.db2.gz JNWJPUJINSRENJ-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001406776758 1368035996 /nfs/dbraw/zinc/03/59/96/1368035996.db2.gz MJLRHNIXYNZFBM-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)cc1F ZINC001406783052 1368045144 /nfs/dbraw/zinc/04/51/44/1368045144.db2.gz SEKRIEOMDGIXPP-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001406784488 1368047173 /nfs/dbraw/zinc/04/71/73/1368047173.db2.gz JMDPMBMXWHRRDO-IEBWSBKVSA-N 1 3 340.471 2.896 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(Cl)cc1 ZINC001492956382 1368155385 /nfs/dbraw/zinc/15/53/85/1368155385.db2.gz IZTWOBKKVFOEHF-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(Cl)cc1 ZINC001492956382 1368155391 /nfs/dbraw/zinc/15/53/91/1368155391.db2.gz IZTWOBKKVFOEHF-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001406924266 1368218406 /nfs/dbraw/zinc/21/84/06/1368218406.db2.gz JQONMTWAIVLGDG-IBGZPJMESA-N 1 3 343.515 2.916 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001406925117 1368219554 /nfs/dbraw/zinc/21/95/54/1368219554.db2.gz MRZUEXUPDKCFAM-IBGZPJMESA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]CCc2cccs2)CC1)N1CCCCCC1 ZINC001406970738 1368260380 /nfs/dbraw/zinc/26/03/80/1368260380.db2.gz BTXHLZBVPLMPGV-INIZCTEOSA-N 1 3 349.544 2.794 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1 ZINC001406974752 1368266568 /nfs/dbraw/zinc/26/65/68/1368266568.db2.gz IPKBGNCPCNKAAT-SFHVURJKSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)C[C@H]1C ZINC001407098839 1368423352 /nfs/dbraw/zinc/42/33/52/1368423352.db2.gz VKMXKUNWJABTAT-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CNCc1ccccc1F ZINC001407105554 1368432065 /nfs/dbraw/zinc/43/20/65/1368432065.db2.gz DVWKNNYKTCRPIT-GOSISDBHSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCc2cccs2)CC1)N(C)C ZINC001407117285 1368444920 /nfs/dbraw/zinc/44/49/20/1368444920.db2.gz FVRVQGJWZWXMPO-MRXNPFEDSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]CC)c1ccc2ccccc2c1 ZINC001407145745 1368489869 /nfs/dbraw/zinc/48/98/69/1368489869.db2.gz YGIXNPUOGQQBRE-IBGZPJMESA-N 1 3 327.472 2.948 20 0 EFADHO CC1CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001407241013 1368636376 /nfs/dbraw/zinc/63/63/76/1368636376.db2.gz IMRSYTVQKCJITE-AFMYVXGZSA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001407272609 1368686031 /nfs/dbraw/zinc/68/60/31/1368686031.db2.gz WGEDJAOWTOKLSB-FQEVSTJZSA-N 1 3 349.494 2.826 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001407467638 1368889508 /nfs/dbraw/zinc/88/95/08/1368889508.db2.gz GRLVNQQCUOSYLO-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1)N(C)C ZINC001407539762 1368959492 /nfs/dbraw/zinc/95/94/92/1368959492.db2.gz PCAOHQHFYFRZDU-YNNCBHJXSA-N 1 3 349.563 2.978 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1)N(C)C ZINC001407539762 1368959497 /nfs/dbraw/zinc/95/94/97/1368959497.db2.gz PCAOHQHFYFRZDU-YNNCBHJXSA-N 1 3 349.563 2.978 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001437725687 1387974584 /nfs/dbraw/zinc/97/45/84/1387974584.db2.gz WEKZATINAXNTCO-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001407597019 1369021610 /nfs/dbraw/zinc/02/16/10/1369021610.db2.gz SQWFTXBKRUTWLD-KDURUIRLSA-N 1 3 343.515 2.535 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2C1 ZINC001407597019 1369021618 /nfs/dbraw/zinc/02/16/18/1369021618.db2.gz SQWFTXBKRUTWLD-KDURUIRLSA-N 1 3 343.515 2.535 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1cccc(C)c1 ZINC001492967507 1369237402 /nfs/dbraw/zinc/23/74/02/1369237402.db2.gz MKNRWMXBPZCAFN-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1cccc(C)c1 ZINC001492967507 1369237408 /nfs/dbraw/zinc/23/74/08/1369237408.db2.gz MKNRWMXBPZCAFN-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N1CCCCCC1 ZINC001407796410 1369244333 /nfs/dbraw/zinc/24/43/33/1369244333.db2.gz DLPKGHHPOYSHCR-CQSZACIVSA-N 1 3 349.441 2.832 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001437742897 1387994284 /nfs/dbraw/zinc/99/42/84/1387994284.db2.gz QYVLSICTXSICBU-SJORKVTESA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001437742897 1387994289 /nfs/dbraw/zinc/99/42/89/1387994289.db2.gz QYVLSICTXSICBU-SJORKVTESA-N 1 3 340.471 2.768 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001437743771 1387996041 /nfs/dbraw/zinc/99/60/41/1387996041.db2.gz UHRRKRQZSFWPKN-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001437743771 1387996043 /nfs/dbraw/zinc/99/60/43/1387996043.db2.gz UHRRKRQZSFWPKN-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)Cc2cccc(F)c2)CCC1 ZINC001407910433 1369381462 /nfs/dbraw/zinc/38/14/62/1369381462.db2.gz AKYNIGOAJLAIIP-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)Cc2cccc(F)c2)CCC1 ZINC001407910433 1369381467 /nfs/dbraw/zinc/38/14/67/1369381467.db2.gz AKYNIGOAJLAIIP-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001407917093 1369394131 /nfs/dbraw/zinc/39/41/31/1369394131.db2.gz MRUGHBAHDCPFER-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001407917093 1369394134 /nfs/dbraw/zinc/39/41/34/1369394134.db2.gz MRUGHBAHDCPFER-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001407927750 1369414198 /nfs/dbraw/zinc/41/41/98/1369414198.db2.gz ZGHPKOYRJPPOLF-KRWDZBQOSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001407927750 1369414203 /nfs/dbraw/zinc/41/42/03/1369414203.db2.gz ZGHPKOYRJPPOLF-KRWDZBQOSA-N 1 3 331.504 2.617 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001407956364 1369460048 /nfs/dbraw/zinc/46/00/48/1369460048.db2.gz PHRNZLGRORYEBG-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001407956364 1369460052 /nfs/dbraw/zinc/46/00/52/1369460052.db2.gz PHRNZLGRORYEBG-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001408005881 1369519056 /nfs/dbraw/zinc/51/90/56/1369519056.db2.gz KQGJAFIRGZGTLF-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO C[NH+]1CCC(CC(=O)NCc2ccc3c(c2)CN(CC2CC2)C3)CC1 ZINC001408059252 1369572179 /nfs/dbraw/zinc/57/21/79/1369572179.db2.gz RUMQDKPDAHVGSX-UHFFFAOYSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC001408094297 1369600810 /nfs/dbraw/zinc/60/08/10/1369600810.db2.gz KHQHTVMFSNPFOU-MJGOQNOKSA-N 1 3 345.531 2.644 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001408167908 1369670402 /nfs/dbraw/zinc/67/04/02/1369670402.db2.gz FRJGSWBMJUKPEJ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001408167908 1369670409 /nfs/dbraw/zinc/67/04/09/1369670409.db2.gz FRJGSWBMJUKPEJ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001408167901 1369671012 /nfs/dbraw/zinc/67/10/12/1369671012.db2.gz FRJGSWBMJUKPEJ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001408167901 1369671018 /nfs/dbraw/zinc/67/10/18/1369671018.db2.gz FRJGSWBMJUKPEJ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001408170451 1369673998 /nfs/dbraw/zinc/67/39/98/1369673998.db2.gz DMWIDAKROTYQKN-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001408173327 1369676441 /nfs/dbraw/zinc/67/64/41/1369676441.db2.gz RWSXPNKFDGXUFI-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001408173327 1369676444 /nfs/dbraw/zinc/67/64/44/1369676444.db2.gz RWSXPNKFDGXUFI-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001408173310 1369676742 /nfs/dbraw/zinc/67/67/42/1369676742.db2.gz RWSXPNKFDGXUFI-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001408173310 1369676747 /nfs/dbraw/zinc/67/67/47/1369676747.db2.gz RWSXPNKFDGXUFI-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001414189886 1370078334 /nfs/dbraw/zinc/07/83/34/1370078334.db2.gz ZVLVLKIHGPCIAJ-IAGOWNOFSA-N 1 3 339.524 2.715 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001414556189 1370436500 /nfs/dbraw/zinc/43/65/00/1370436500.db2.gz KHWHDNBGRPNVPZ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC001414556189 1370436506 /nfs/dbraw/zinc/43/65/06/1370436506.db2.gz KHWHDNBGRPNVPZ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001437843865 1388136343 /nfs/dbraw/zinc/13/63/43/1388136343.db2.gz SILSEXFFXKMAGP-CJNGLKHVSA-N 1 3 325.884 2.789 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001417769503 1373233419 /nfs/dbraw/zinc/23/34/19/1373233419.db2.gz OFDGKZPIDIZZBO-VNJSVHFESA-N 1 3 341.499 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001417770747 1373234566 /nfs/dbraw/zinc/23/45/66/1373234566.db2.gz TUNDPEQAHBQFRE-RYGJVYDSSA-N 1 3 343.515 2.630 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001417773302 1373238179 /nfs/dbraw/zinc/23/81/79/1373238179.db2.gz RCXSRMSKKOYZQT-OWCLPIDISA-N 1 3 345.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001417795112 1373261976 /nfs/dbraw/zinc/26/19/76/1373261976.db2.gz FCHHNJISINZNOE-GUDVDZBRSA-N 1 3 331.504 2.566 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001417804253 1373273072 /nfs/dbraw/zinc/27/30/72/1373273072.db2.gz WLCYMZRJXOEAOF-SAABIXHNSA-N 1 3 347.478 2.686 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437942810 1388257139 /nfs/dbraw/zinc/25/71/39/1388257139.db2.gz SWYDFOYTABEMDK-RDJZCZTQSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1)N(C)C ZINC001437942810 1388257142 /nfs/dbraw/zinc/25/71/42/1388257142.db2.gz SWYDFOYTABEMDK-RDJZCZTQSA-N 1 3 337.533 2.725 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001417912875 1373410598 /nfs/dbraw/zinc/41/05/98/1373410598.db2.gz BFNDJBBSBVZAPN-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC001418064228 1373570438 /nfs/dbraw/zinc/57/04/38/1373570438.db2.gz MJRONWQJJIOSND-UFYCRDLUSA-N 1 3 339.483 2.917 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001418064912 1373571393 /nfs/dbraw/zinc/57/13/93/1373571393.db2.gz NMFFRNGYGWKKMO-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001418065717 1373571875 /nfs/dbraw/zinc/57/18/75/1373571875.db2.gz SNXOPPYULNNMRU-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001418075492 1373580608 /nfs/dbraw/zinc/58/06/08/1373580608.db2.gz QBYAPWIDHPEMNP-DEYYWGMASA-N 1 3 349.906 2.906 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1 ZINC001418081197 1373587944 /nfs/dbraw/zinc/58/79/44/1373587944.db2.gz AATXGBCQHBLVHX-IHWFROFDSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC001418081197 1373587950 /nfs/dbraw/zinc/58/79/50/1373587950.db2.gz AATXGBCQHBLVHX-IHWFROFDSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001418172002 1373724599 /nfs/dbraw/zinc/72/45/99/1373724599.db2.gz IRJWAZRTTLTUCP-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001418172002 1373724602 /nfs/dbraw/zinc/72/46/02/1373724602.db2.gz IRJWAZRTTLTUCP-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001418172327 1373725610 /nfs/dbraw/zinc/72/56/10/1373725610.db2.gz GONXPYXZTANDSS-IAGOWNOFSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C/Cl ZINC001418172337 1373725673 /nfs/dbraw/zinc/72/56/73/1373725673.db2.gz UZMBIKDZEOZFGL-FRFGOACMSA-N 1 3 341.927 2.926 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C/Cl ZINC001418172337 1373725676 /nfs/dbraw/zinc/72/56/76/1373725676.db2.gz UZMBIKDZEOZFGL-FRFGOACMSA-N 1 3 341.927 2.926 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180039 1373740746 /nfs/dbraw/zinc/74/07/46/1373740746.db2.gz PZGGRDDCYQWRNA-UDKQVLDHSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180039 1373740752 /nfs/dbraw/zinc/74/07/52/1373740752.db2.gz PZGGRDDCYQWRNA-UDKQVLDHSA-N 1 3 347.547 2.734 20 0 EFADHO CC[C@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001418234271 1373790437 /nfs/dbraw/zinc/79/04/37/1373790437.db2.gz KJQCECIUEVHISW-YOEHRIQHSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001418242983 1373797949 /nfs/dbraw/zinc/79/79/49/1373797949.db2.gz UBYNVDIBDLAVPG-BBRMVZONSA-N 1 3 341.446 2.805 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1ccccc1F ZINC001418315331 1373895093 /nfs/dbraw/zinc/89/50/93/1373895093.db2.gz XIDHBVFBDHXIIR-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001418367894 1373941720 /nfs/dbraw/zinc/94/17/20/1373941720.db2.gz QAHODWIOYGFKQJ-DLBZAZTESA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001418401268 1373982149 /nfs/dbraw/zinc/98/21/49/1373982149.db2.gz DKMVFIQROHVRGW-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@@H]2CCc3c2cccc3Cl)CC[N@@H+]1C ZINC001418459257 1374046528 /nfs/dbraw/zinc/04/65/28/1374046528.db2.gz ATBINSURNGDCSA-HBUWYVDXSA-N 1 3 349.906 2.716 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@@H]2CCc3c2cccc3Cl)CC[N@H+]1C ZINC001418459257 1374046530 /nfs/dbraw/zinc/04/65/30/1374046530.db2.gz ATBINSURNGDCSA-HBUWYVDXSA-N 1 3 349.906 2.716 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001418463153 1374053980 /nfs/dbraw/zinc/05/39/80/1374053980.db2.gz NAQIIHCJHMRPOL-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001418463153 1374053985 /nfs/dbraw/zinc/05/39/85/1374053985.db2.gz NAQIIHCJHMRPOL-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418464826 1374055172 /nfs/dbraw/zinc/05/51/72/1374055172.db2.gz IEWHPRXULFNZMH-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001418464826 1374055177 /nfs/dbraw/zinc/05/51/77/1374055177.db2.gz IEWHPRXULFNZMH-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1c(C)cccc1C ZINC001418527486 1374136385 /nfs/dbraw/zinc/13/63/85/1374136385.db2.gz NKSRASVHZUIGIY-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1c(C)cccc1C ZINC001418527486 1374136392 /nfs/dbraw/zinc/13/63/92/1374136392.db2.gz NKSRASVHZUIGIY-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(C(F)F)cc1 ZINC001418538843 1374149159 /nfs/dbraw/zinc/14/91/59/1374149159.db2.gz GKSMFJBJIYVLNY-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN1C)Cc1ccc(C(F)F)cc1 ZINC001418538843 1374149160 /nfs/dbraw/zinc/14/91/60/1374149160.db2.gz GKSMFJBJIYVLNY-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001418546776 1374159186 /nfs/dbraw/zinc/15/91/86/1374159186.db2.gz DCPOCTLVSRAVCC-OALUTQOASA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001418546776 1374159190 /nfs/dbraw/zinc/15/91/90/1374159190.db2.gz DCPOCTLVSRAVCC-OALUTQOASA-N 1 3 349.494 2.837 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001418573784 1374207504 /nfs/dbraw/zinc/20/75/04/1374207504.db2.gz BSUBVVAJFBDPNB-SFHVURJKSA-N 1 3 345.531 2.874 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001418573784 1374207510 /nfs/dbraw/zinc/20/75/10/1374207510.db2.gz BSUBVVAJFBDPNB-SFHVURJKSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001418643647 1374313633 /nfs/dbraw/zinc/31/36/33/1374313633.db2.gz BJJMZLMIQFUFNE-DDBAPUKQSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001418662394 1374338375 /nfs/dbraw/zinc/33/83/75/1374338375.db2.gz VJDDSUDCLWLTLW-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001418662394 1374338379 /nfs/dbraw/zinc/33/83/79/1374338379.db2.gz VJDDSUDCLWLTLW-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001418676824 1374356455 /nfs/dbraw/zinc/35/64/55/1374356455.db2.gz UYSVWBKLQUHZME-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CC2CC(F)(F)C2)CC1 ZINC001438000998 1388313026 /nfs/dbraw/zinc/31/30/26/1388313026.db2.gz VISSOSCVXZMQIM-UHFFFAOYSA-N 1 3 345.478 2.544 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001438000998 1388313032 /nfs/dbraw/zinc/31/30/32/1388313032.db2.gz VISSOSCVXZMQIM-UHFFFAOYSA-N 1 3 345.478 2.544 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cccc1C ZINC001418728992 1374428682 /nfs/dbraw/zinc/42/86/82/1374428682.db2.gz SUYFHBCMFXMGNO-QGZVFWFLSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cccc1C ZINC001418728992 1374428687 /nfs/dbraw/zinc/42/86/87/1374428687.db2.gz SUYFHBCMFXMGNO-QGZVFWFLSA-N 1 3 345.531 2.973 20 0 EFADHO CC(C)N1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001418742769 1374446123 /nfs/dbraw/zinc/44/61/23/1374446123.db2.gz UGDVLOUBFSPCBB-RTBURBONSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@H](NCCN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1Cl ZINC001418826977 1374549239 /nfs/dbraw/zinc/54/92/39/1374549239.db2.gz KETSMWNESPKNLQ-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC1 ZINC001418846958 1374569687 /nfs/dbraw/zinc/56/96/87/1374569687.db2.gz DOYFUOVIJPWNHY-HDICACEKSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418900109 1374656121 /nfs/dbraw/zinc/65/61/21/1374656121.db2.gz DEFGXBDYMANCNH-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418900109 1374656124 /nfs/dbraw/zinc/65/61/24/1374656124.db2.gz DEFGXBDYMANCNH-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934513 1374702549 /nfs/dbraw/zinc/70/25/49/1374702549.db2.gz WVPJONZOHDRRFY-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934513 1374702552 /nfs/dbraw/zinc/70/25/52/1374702552.db2.gz WVPJONZOHDRRFY-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941541 1374711874 /nfs/dbraw/zinc/71/18/74/1374711874.db2.gz RSOXNRSVHJCOCT-IRXDYDNUSA-N 1 3 325.541 2.791 20 0 EFADHO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941541 1374711878 /nfs/dbraw/zinc/71/18/78/1374711878.db2.gz RSOXNRSVHJCOCT-IRXDYDNUSA-N 1 3 325.541 2.791 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001419055832 1374797177 /nfs/dbraw/zinc/79/71/77/1374797177.db2.gz SXUAWXMONLDBFT-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1 ZINC001419055832 1374797181 /nfs/dbraw/zinc/79/71/81/1374797181.db2.gz SXUAWXMONLDBFT-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001419190969 1374937051 /nfs/dbraw/zinc/93/70/51/1374937051.db2.gz GZKDRYYTNNHYEI-SJLPKXTDSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001419191622 1374937309 /nfs/dbraw/zinc/93/73/09/1374937309.db2.gz MLUYHCUSHULVOT-HNNXBMFYSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(F)ccc1C ZINC001419194580 1374940697 /nfs/dbraw/zinc/94/06/97/1374940697.db2.gz NPXBQRFXGYPZQZ-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC001419416175 1375245071 /nfs/dbraw/zinc/24/50/71/1375245071.db2.gz YETBOVPDJJGGPU-XEZPLFJOSA-N 1 3 341.858 2.556 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001419429624 1375261315 /nfs/dbraw/zinc/26/13/15/1375261315.db2.gz IGOPDNCDKXAKAS-KOQZAGCLSA-N 1 3 341.499 2.811 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(Cl)c1 ZINC001419467488 1375310491 /nfs/dbraw/zinc/31/04/91/1375310491.db2.gz IJAZREQVFWNLBC-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]Cc1cccc(F)c1 ZINC001419506345 1375356645 /nfs/dbraw/zinc/35/66/45/1375356645.db2.gz CDXSYPPAJBJIHL-SJORKVTESA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1)N1CCCCCC1 ZINC001419506337 1375356684 /nfs/dbraw/zinc/35/66/84/1375356684.db2.gz CDXSYPPAJBJIHL-IAGOWNOFSA-N 1 3 349.494 2.932 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629511 1375589097 /nfs/dbraw/zinc/58/90/97/1375589097.db2.gz ZHCIAYOLYFYJPV-RHSMWYFYSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629511 1375589103 /nfs/dbraw/zinc/58/91/03/1375589103.db2.gz ZHCIAYOLYFYJPV-RHSMWYFYSA-N 1 3 334.508 2.914 20 0 EFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001419638278 1375611056 /nfs/dbraw/zinc/61/10/56/1375611056.db2.gz SVRYGVCOXDBSLI-QOALNRGFSA-N 1 3 341.927 2.688 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001438160512 1388389662 /nfs/dbraw/zinc/38/96/62/1388389662.db2.gz KFALPVWSKSTQQS-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001419662810 1375661312 /nfs/dbraw/zinc/66/13/12/1375661312.db2.gz BKQMVXJXJHHDNO-LGKHCZOZSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001419662810 1375661317 /nfs/dbraw/zinc/66/13/17/1375661317.db2.gz BKQMVXJXJHHDNO-LGKHCZOZSA-N 1 3 343.515 2.689 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001419684133 1375708086 /nfs/dbraw/zinc/70/80/86/1375708086.db2.gz SMZMCEHKLNKYSB-TVPLGVNVSA-N 1 3 349.494 2.725 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001419758496 1375826653 /nfs/dbraw/zinc/82/66/53/1375826653.db2.gz UCUHLYJMLJWSFQ-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1cccc(C)c1 ZINC001438183070 1388405492 /nfs/dbraw/zinc/40/54/92/1388405492.db2.gz ZBOAIUCYSJATDS-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1cccc(C)c1 ZINC001438183070 1388405496 /nfs/dbraw/zinc/40/54/96/1388405496.db2.gz ZBOAIUCYSJATDS-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001419816040 1375928458 /nfs/dbraw/zinc/92/84/58/1375928458.db2.gz IGCOHBDVRCYVBD-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001419857494 1376012433 /nfs/dbraw/zinc/01/24/33/1376012433.db2.gz YJEBMQKEVAZZTO-CYBMUJFWSA-N 1 3 325.522 2.629 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C(C)C)cc1 ZINC001419881793 1376059624 /nfs/dbraw/zinc/05/96/24/1376059624.db2.gz XASOTSOWUPOQSO-LJQANCHMSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)c1 ZINC001419910777 1376112807 /nfs/dbraw/zinc/11/28/07/1376112807.db2.gz SHVRDPWGERJINU-RTBURBONSA-N 1 3 333.520 2.812 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001419914583 1376120179 /nfs/dbraw/zinc/12/01/79/1376120179.db2.gz SHPIKGGASKQETJ-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001419971390 1376212740 /nfs/dbraw/zinc/21/27/40/1376212740.db2.gz KWZMLBZJTUWSDZ-MOPGFXCFSA-N 1 3 349.494 2.789 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001419974400 1376217721 /nfs/dbraw/zinc/21/77/21/1376217721.db2.gz LESNFHVKASWFPL-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001419992582 1376246471 /nfs/dbraw/zinc/24/64/71/1376246471.db2.gz XBGQLXMOZHSJPN-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)C1 ZINC001420007892 1376270698 /nfs/dbraw/zinc/27/06/98/1376270698.db2.gz XOGBJGWCUQCZKJ-DNVCBOLYSA-N 1 3 347.478 2.545 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)C1 ZINC001420007892 1376270703 /nfs/dbraw/zinc/27/07/03/1376270703.db2.gz XOGBJGWCUQCZKJ-DNVCBOLYSA-N 1 3 347.478 2.545 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420028644 1376318004 /nfs/dbraw/zinc/31/80/04/1376318004.db2.gz LUCZTWHBUIJJMX-OALUTQOASA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001420038561 1376344655 /nfs/dbraw/zinc/34/46/55/1376344655.db2.gz KWZMLBZJTUWSDZ-RBUKOAKNSA-N 1 3 349.494 2.789 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001420049826 1376380737 /nfs/dbraw/zinc/38/07/37/1376380737.db2.gz MBIIYZSWTQGIPI-FQEVSTJZSA-N 1 3 345.531 2.727 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001420049826 1376380747 /nfs/dbraw/zinc/38/07/47/1376380747.db2.gz MBIIYZSWTQGIPI-FQEVSTJZSA-N 1 3 345.531 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001420176051 1376535854 /nfs/dbraw/zinc/53/58/54/1376535854.db2.gz YREZGOWRGNBAIK-GFCCVEGCSA-N 1 3 334.851 2.599 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001420221507 1376572326 /nfs/dbraw/zinc/57/23/26/1376572326.db2.gz DUVHHSQKLARKSU-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001420310383 1376709520 /nfs/dbraw/zinc/70/95/20/1376709520.db2.gz SPSSTIKRSKUONP-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001420310383 1376709523 /nfs/dbraw/zinc/70/95/23/1376709523.db2.gz SPSSTIKRSKUONP-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001420321919 1376731666 /nfs/dbraw/zinc/73/16/66/1376731666.db2.gz ADRQYADITUGNPE-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)c1cccc(Cl)c1 ZINC001420321919 1376731671 /nfs/dbraw/zinc/73/16/71/1376731671.db2.gz ADRQYADITUGNPE-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(Cl)cc1C ZINC001420373106 1376829276 /nfs/dbraw/zinc/82/92/76/1376829276.db2.gz YPRJJCSESJFPMZ-KRWDZBQOSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(Cl)cc1C ZINC001420373106 1376829279 /nfs/dbraw/zinc/82/92/79/1376829279.db2.gz YPRJJCSESJFPMZ-KRWDZBQOSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001420421642 1376930035 /nfs/dbraw/zinc/93/00/35/1376930035.db2.gz KGVWWTORIGBXFH-AEFFLSMTSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001420421642 1376930040 /nfs/dbraw/zinc/93/00/40/1376930040.db2.gz KGVWWTORIGBXFH-AEFFLSMTSA-N 1 3 331.504 2.836 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(CC(C)C)cc1 ZINC001420444242 1376987677 /nfs/dbraw/zinc/98/76/77/1376987677.db2.gz OZXQRRUYOOITIZ-FQEVSTJZSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(CC(C)C)cc1 ZINC001420444242 1376987681 /nfs/dbraw/zinc/98/76/81/1376987681.db2.gz OZXQRRUYOOITIZ-FQEVSTJZSA-N 1 3 345.531 2.775 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001420491491 1377069948 /nfs/dbraw/zinc/06/99/48/1377069948.db2.gz DNBRREWXUYQLCM-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@H]1CCc2ccc(F)cc21 ZINC001420491491 1377069950 /nfs/dbraw/zinc/06/99/50/1377069950.db2.gz DNBRREWXUYQLCM-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001420499370 1377086005 /nfs/dbraw/zinc/08/60/05/1377086005.db2.gz WVQGDKGFEYVEAO-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1cc(C)sc1C ZINC001420499370 1377086015 /nfs/dbraw/zinc/08/60/15/1377086015.db2.gz WVQGDKGFEYVEAO-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001420559971 1377196941 /nfs/dbraw/zinc/19/69/41/1377196941.db2.gz YDGBVLLFWIRLPY-INIZCTEOSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC001420559971 1377196946 /nfs/dbraw/zinc/19/69/46/1377196946.db2.gz YDGBVLLFWIRLPY-INIZCTEOSA-N 1 3 337.533 2.645 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616335 1377333595 /nfs/dbraw/zinc/33/35/95/1377333595.db2.gz UFEXHCFURRJCNB-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO CCc1cccc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001420667607 1377463871 /nfs/dbraw/zinc/46/38/71/1377463871.db2.gz WFEXLEZYPLYXSW-OXQOHEQNSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001420667607 1377463876 /nfs/dbraw/zinc/46/38/76/1377463876.db2.gz WFEXLEZYPLYXSW-OXQOHEQNSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001420723054 1377566743 /nfs/dbraw/zinc/56/67/43/1377566743.db2.gz FWFWGUQQDRFUKK-WBMJQRKESA-N 1 3 343.874 2.928 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001420757651 1377606549 /nfs/dbraw/zinc/60/65/49/1377606549.db2.gz MDTASPXPCSMSFP-QGZVFWFLSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001420763768 1377616978 /nfs/dbraw/zinc/61/69/78/1377616978.db2.gz YEFALCRSOVYYLN-INIZCTEOSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CCC2CC2)c2ccccc2)CCC1 ZINC001420772134 1377637027 /nfs/dbraw/zinc/63/70/27/1377637027.db2.gz FQRRNRJTSPEVLP-SFHVURJKSA-N 1 3 329.488 2.718 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001420790559 1377673902 /nfs/dbraw/zinc/67/39/02/1377673902.db2.gz GRUXFVIVHKFHIQ-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001420863663 1377795745 /nfs/dbraw/zinc/79/57/45/1377795745.db2.gz VIPURWIAKBIBKF-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001420863663 1377795748 /nfs/dbraw/zinc/79/57/48/1377795748.db2.gz VIPURWIAKBIBKF-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001420889228 1377840859 /nfs/dbraw/zinc/84/08/59/1377840859.db2.gz WJPZXAKIPARVNY-HFTQHKIXSA-N 1 3 341.927 2.833 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCCC2CCC2)CC1 ZINC001420936911 1377908978 /nfs/dbraw/zinc/90/89/78/1377908978.db2.gz SZVMGIPIFRHACB-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCCC2CCC2)CC1 ZINC001420936911 1377908981 /nfs/dbraw/zinc/90/89/81/1377908981.db2.gz SZVMGIPIFRHACB-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001420946456 1377923079 /nfs/dbraw/zinc/92/30/79/1377923079.db2.gz RCQRRMIFDPGFMP-SFHVURJKSA-N 1 3 329.488 2.606 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001420954998 1377935650 /nfs/dbraw/zinc/93/56/50/1377935650.db2.gz UWIJBJXBLNQGBR-MRXNPFEDSA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001420954998 1377935655 /nfs/dbraw/zinc/93/56/55/1377935655.db2.gz UWIJBJXBLNQGBR-MRXNPFEDSA-N 1 3 334.508 2.805 20 0 EFADHO O=C(NCC1(NCCC(F)(F)F)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001420961471 1377944081 /nfs/dbraw/zinc/94/40/81/1377944081.db2.gz WFERLDXSBQWXGD-AWEZNQCLSA-N 1 3 347.425 2.584 20 0 EFADHO O=C(NCC1(NCCC(F)(F)F)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001420961471 1377944086 /nfs/dbraw/zinc/94/40/86/1377944086.db2.gz WFERLDXSBQWXGD-AWEZNQCLSA-N 1 3 347.425 2.584 20 0 EFADHO O=C(NCC1(NCCC(F)(F)F)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001420961473 1377944329 /nfs/dbraw/zinc/94/43/29/1377944329.db2.gz WFERLDXSBQWXGD-CQSZACIVSA-N 1 3 347.425 2.584 20 0 EFADHO O=C(NCC1(NCCC(F)(F)F)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001420961473 1377944331 /nfs/dbraw/zinc/94/43/31/1377944331.db2.gz WFERLDXSBQWXGD-CQSZACIVSA-N 1 3 347.425 2.584 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)cc1 ZINC001420978674 1377968824 /nfs/dbraw/zinc/96/88/24/1377968824.db2.gz RQCHBXDFNMWYND-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001421006855 1378011478 /nfs/dbraw/zinc/01/14/78/1378011478.db2.gz LQIRXFZBLXVWOF-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001421006855 1378011481 /nfs/dbraw/zinc/01/14/81/1378011481.db2.gz LQIRXFZBLXVWOF-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001421007812 1378013232 /nfs/dbraw/zinc/01/32/32/1378013232.db2.gz OUJOLIMJVMSHSA-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001421007812 1378013235 /nfs/dbraw/zinc/01/32/35/1378013235.db2.gz OUJOLIMJVMSHSA-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO O=C(NCCN(CCF)C1CCCCCC1)C12CCC[NH+]1CCC2 ZINC001421017782 1378027583 /nfs/dbraw/zinc/02/75/83/1378027583.db2.gz ZPENAWPBRJAZLO-UHFFFAOYSA-N 1 3 339.499 2.725 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](CCC3CC3)CC3CC3)CC2)C1 ZINC001421018727 1378028831 /nfs/dbraw/zinc/02/88/31/1378028831.db2.gz MOLKHFQWNUDNDS-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](CCC3CC3)CC3CC3)CC2)C1 ZINC001421018727 1378028835 /nfs/dbraw/zinc/02/88/35/1378028835.db2.gz MOLKHFQWNUDNDS-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)CCN1C(=O)CCC[NH+](C)C ZINC001421098724 1378123329 /nfs/dbraw/zinc/12/33/29/1378123329.db2.gz DYLMCWBRGTZWOB-QOUCBHDVSA-N 1 3 336.307 2.616 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)CCN1C(=O)CCC[NH+](C)C ZINC001421098722 1378123469 /nfs/dbraw/zinc/12/34/69/1378123469.db2.gz DYLMCWBRGTZWOB-JBUYOTSVSA-N 1 3 336.307 2.616 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421099188 1378125081 /nfs/dbraw/zinc/12/50/81/1378125081.db2.gz FYOOFTWCUDSDAZ-IAGOWNOFSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)c1ccccc1C[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001421152838 1378193347 /nfs/dbraw/zinc/19/33/47/1378193347.db2.gz GJEGBICGAORORP-QGZVFWFLSA-N 1 3 343.515 2.700 20 0 EFADHO C[C@@H](C(=O)NCC1C[NH+](CC2CCCCC2)C1)N1CCCCCC1 ZINC001421161869 1378208384 /nfs/dbraw/zinc/20/83/84/1378208384.db2.gz YXFXHFSTHNLYBO-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001421163652 1378209589 /nfs/dbraw/zinc/20/95/89/1378209589.db2.gz UUECHKQRGXVLAE-GPVYEGESSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CCCC1)N(C)C ZINC001421167284 1378216903 /nfs/dbraw/zinc/21/69/03/1378216903.db2.gz IPKCLLUHLXUWQT-MOPGFXCFSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](Cc2ccccc2F)CC1 ZINC001421273537 1378392417 /nfs/dbraw/zinc/39/24/17/1378392417.db2.gz JUJJDOGEAYFWRX-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001421310416 1378475847 /nfs/dbraw/zinc/47/58/47/1378475847.db2.gz JQLCJPZHYOTCPR-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1 ZINC001421310413 1378475923 /nfs/dbraw/zinc/47/59/23/1378475923.db2.gz JQLCJPZHYOTCPR-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001421314067 1378482759 /nfs/dbraw/zinc/48/27/59/1378482759.db2.gz TXXSTHDOLRWHAO-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001421469424 1378658919 /nfs/dbraw/zinc/65/89/19/1378658919.db2.gz FQNFVOIIOPZYSK-HOTGVXAUSA-N 1 3 325.884 2.665 20 0 EFADHO Cc1ccc(C[NH2+]CC2(NC(=O)CN3CC[C@@H](C)C3)CCCC2)cc1 ZINC001438405599 1388565190 /nfs/dbraw/zinc/56/51/90/1388565190.db2.gz YOSFHIHKPMAPOI-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2csc(C)c2)C1 ZINC001421539221 1378778890 /nfs/dbraw/zinc/77/88/90/1378778890.db2.gz JXHNUQIMVRKLEZ-WBVHZDCISA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001421544627 1378787006 /nfs/dbraw/zinc/78/70/06/1378787006.db2.gz PKLBQZDIUJEABA-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001421570196 1378827514 /nfs/dbraw/zinc/82/75/14/1378827514.db2.gz UMPFHZHDOXCMTL-ZACQAIPSSA-N 1 3 347.478 2.619 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001421699402 1379006658 /nfs/dbraw/zinc/00/66/58/1379006658.db2.gz JRGQWARBZFJVGH-MRXNPFEDSA-N 1 3 343.515 2.502 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001421702017 1379009717 /nfs/dbraw/zinc/00/97/17/1379009717.db2.gz PBKWPBDEWYUVKI-INIZCTEOSA-N 1 3 331.504 2.630 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001421702020 1379010451 /nfs/dbraw/zinc/01/04/51/1379010451.db2.gz PBKWPBDEWYUVKI-MRXNPFEDSA-N 1 3 331.504 2.630 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CNCc2ccccc2F)CC1 ZINC001421707202 1379018030 /nfs/dbraw/zinc/01/80/30/1379018030.db2.gz HILFQPUWFHFVQU-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001421815778 1379168209 /nfs/dbraw/zinc/16/82/09/1379168209.db2.gz BJRUYGNXAHKKJZ-RBUKOAKNSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823207 1379181441 /nfs/dbraw/zinc/18/14/41/1379181441.db2.gz QUWMWBQIWNEGAO-RTBURBONSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001421823207 1379181449 /nfs/dbraw/zinc/18/14/49/1379181449.db2.gz QUWMWBQIWNEGAO-RTBURBONSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001421840136 1379216693 /nfs/dbraw/zinc/21/66/93/1379216693.db2.gz OBMWSJLOVKCYLZ-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001421840136 1379216705 /nfs/dbraw/zinc/21/67/05/1379216705.db2.gz OBMWSJLOVKCYLZ-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](C[C@@H](C)CC(C)C)C2)CC1)N(C)C ZINC001421854211 1379244500 /nfs/dbraw/zinc/24/45/00/1379244500.db2.gz ZHJQSYZFQOGYLL-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001421868538 1379272970 /nfs/dbraw/zinc/27/29/70/1379272970.db2.gz OVXNKYYYBDQRFF-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001421868538 1379272972 /nfs/dbraw/zinc/27/29/72/1379272972.db2.gz OVXNKYYYBDQRFF-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cccs3)CC2)CCC1 ZINC001438440068 1388601880 /nfs/dbraw/zinc/60/18/80/1388601880.db2.gz GRIVLIXYSWVWIX-WKILWMFISA-N 1 3 349.544 2.792 20 0 EFADHO C[C@@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001421904684 1379333043 /nfs/dbraw/zinc/33/30/43/1379333043.db2.gz QYKRGPKEOFSBLC-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC001422020801 1379497903 /nfs/dbraw/zinc/49/79/03/1379497903.db2.gz ANDXAALGYWBJDH-LJIOFZCZSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422029273 1379513571 /nfs/dbraw/zinc/51/35/71/1379513571.db2.gz KWZPFMAUECVQKS-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)[C@@H](C)C1 ZINC001422053417 1379547371 /nfs/dbraw/zinc/54/73/71/1379547371.db2.gz UBFNCQVGUDIKOO-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001422061132 1379558117 /nfs/dbraw/zinc/55/81/17/1379558117.db2.gz YPJQGWKZUFDHSH-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001422117475 1379635335 /nfs/dbraw/zinc/63/53/35/1379635335.db2.gz CAHLYURJQBPHJQ-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(F)cc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001422131362 1379659155 /nfs/dbraw/zinc/65/91/55/1379659155.db2.gz RMPJKJOUZHORJY-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cccc(F)c1 ZINC001422134187 1379665495 /nfs/dbraw/zinc/66/54/95/1379665495.db2.gz VOOHOFYWRMKOIL-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C(C)C)N(C)C ZINC001422219192 1379792956 /nfs/dbraw/zinc/79/29/56/1379792956.db2.gz KWARDUBFOOSJQI-QRVBRYPASA-N 1 3 331.504 2.600 20 0 EFADHO CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001422244834 1379849964 /nfs/dbraw/zinc/84/99/64/1379849964.db2.gz MUXRUSPEELVHTF-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001422244834 1379849969 /nfs/dbraw/zinc/84/99/69/1379849969.db2.gz MUXRUSPEELVHTF-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001438477456 1388633516 /nfs/dbraw/zinc/63/35/16/1388633516.db2.gz CWLGPRNRGNPRIL-IEBWSBKVSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cc2ccccc2o1 ZINC001438496246 1388640915 /nfs/dbraw/zinc/64/09/15/1388640915.db2.gz DXOHNDMVUBRAOX-HNNXBMFYSA-N 1 3 343.471 2.759 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001438498260 1388641245 /nfs/dbraw/zinc/64/12/45/1388641245.db2.gz MKDHGLQSLZXFDC-IAGOWNOFSA-N 1 3 331.504 2.882 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001422449837 1380120654 /nfs/dbraw/zinc/12/06/54/1380120654.db2.gz URGSCOCHZWCSPW-GJZGRUSLSA-N 1 3 328.460 2.815 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001422646614 1380481724 /nfs/dbraw/zinc/48/17/24/1380481724.db2.gz QLJYDFPAACDCQD-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001438547133 1388667098 /nfs/dbraw/zinc/66/70/98/1388667098.db2.gz SFFWAIIBKGMDQM-WMLDXEAASA-N 1 3 339.911 2.768 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001422758469 1380766936 /nfs/dbraw/zinc/76/69/36/1380766936.db2.gz XTUOOCMYSVGBCB-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001422758469 1380766943 /nfs/dbraw/zinc/76/69/43/1380766943.db2.gz XTUOOCMYSVGBCB-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001422758466 1380767077 /nfs/dbraw/zinc/76/70/77/1380767077.db2.gz XTUOOCMYSVGBCB-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001422758466 1380767082 /nfs/dbraw/zinc/76/70/82/1380767082.db2.gz XTUOOCMYSVGBCB-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001422880540 1380992931 /nfs/dbraw/zinc/99/29/31/1380992931.db2.gz RHDIEHIKESFQSY-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001422901749 1381028564 /nfs/dbraw/zinc/02/85/64/1381028564.db2.gz RBKYVPYINVSOLN-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001422901749 1381028567 /nfs/dbraw/zinc/02/85/67/1381028567.db2.gz RBKYVPYINVSOLN-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929566 1381078014 /nfs/dbraw/zinc/07/80/14/1381078014.db2.gz WWVNRQUISRVTGV-GEZBDVBVSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC(N(C)C/C=C\Cl)CC2)C1 ZINC001422929566 1381078017 /nfs/dbraw/zinc/07/80/17/1381078017.db2.gz WWVNRQUISRVTGV-GEZBDVBVSA-N 1 3 341.927 2.784 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001422998934 1381183291 /nfs/dbraw/zinc/18/32/91/1381183291.db2.gz WEYHEJUWIOUPNX-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001423016952 1381215163 /nfs/dbraw/zinc/21/51/63/1381215163.db2.gz CUOFURKZIKDQFG-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423112891 1381370658 /nfs/dbraw/zinc/37/06/58/1381370658.db2.gz NFALRNJXXVXDII-QZTJIDSGSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423112899 1381372035 /nfs/dbraw/zinc/37/20/35/1381372035.db2.gz NFALRNJXXVXDII-ROUUACIJSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438646007 1388716757 /nfs/dbraw/zinc/71/67/57/1388716757.db2.gz BBEJNFKKESOVMK-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438654869 1388721549 /nfs/dbraw/zinc/72/15/49/1388721549.db2.gz UBVQRJPPNGKGCA-OAHLLOKOSA-N 1 3 343.471 2.854 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C ZINC001438677013 1388733326 /nfs/dbraw/zinc/73/33/26/1388733326.db2.gz BXNQQDCMWCPJKK-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001423226569 1381623171 /nfs/dbraw/zinc/62/31/71/1381623171.db2.gz IIFAHMAKSVGASO-SJORKVTESA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc3ccccc32)CC1)N(C)C ZINC001423241240 1381663184 /nfs/dbraw/zinc/66/31/84/1381663184.db2.gz GJYWUOCPVINAPG-LJQANCHMSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(NCc2ccc(Cl)s2)CC1)[NH+](C)C ZINC001423295453 1381754394 /nfs/dbraw/zinc/75/43/94/1381754394.db2.gz WNUZIVULYCNORM-AWEZNQCLSA-N 1 3 343.924 2.726 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001423324872 1381785776 /nfs/dbraw/zinc/78/57/76/1381785776.db2.gz HQJKSKVJEODMCS-XESKBKHVSA-N 1 3 335.879 2.693 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001423363195 1381848996 /nfs/dbraw/zinc/84/89/96/1381848996.db2.gz KACFDTDCYMDXTA-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001423363195 1381848999 /nfs/dbraw/zinc/84/89/99/1381848999.db2.gz KACFDTDCYMDXTA-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001423367566 1381856280 /nfs/dbraw/zinc/85/62/80/1381856280.db2.gz YOOOJCJUYYMFJI-HOCLYGCPSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001423367566 1381856285 /nfs/dbraw/zinc/85/62/85/1381856285.db2.gz YOOOJCJUYYMFJI-HOCLYGCPSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001438705026 1388750431 /nfs/dbraw/zinc/75/04/31/1388750431.db2.gz HHISGFMJMIBMPC-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001423492890 1381984101 /nfs/dbraw/zinc/98/41/01/1381984101.db2.gz UHPXORHWKMZPIF-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423569092 1382085126 /nfs/dbraw/zinc/08/51/26/1382085126.db2.gz AZYOKYLBKUUIQY-LJQANCHMSA-N 1 3 335.467 2.579 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(C)c1)C(C)(C)C)N(C)C ZINC001423615041 1382169193 /nfs/dbraw/zinc/16/91/93/1382169193.db2.gz MYOSXGLQEUPCHN-ROUUACIJSA-N 1 3 333.520 2.956 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001423650252 1382224880 /nfs/dbraw/zinc/22/48/80/1382224880.db2.gz ZJTKJPUILHVPCE-QUCCMNQESA-N 1 3 349.494 2.740 20 0 EFADHO CN(C(=O)CC[NH+]1CCCCC1)C1CC(NCc2ccccc2F)C1 ZINC001423695583 1382306968 /nfs/dbraw/zinc/30/69/68/1382306968.db2.gz NDTCNGQFFOGSAU-UHFFFAOYSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC001423707377 1382329352 /nfs/dbraw/zinc/32/93/52/1382329352.db2.gz YLFOHYWTPKDGEB-FQEVSTJZSA-N 1 3 331.504 2.747 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC001423707377 1382329357 /nfs/dbraw/zinc/32/93/57/1382329357.db2.gz YLFOHYWTPKDGEB-FQEVSTJZSA-N 1 3 331.504 2.747 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001438776572 1388805807 /nfs/dbraw/zinc/80/58/07/1388805807.db2.gz QNXCFCUKXBTBQH-XCRGBYMUSA-N 1 3 329.916 2.543 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC1(NC/C=C\Cl)CCC1 ZINC001424211922 1382871333 /nfs/dbraw/zinc/87/13/33/1382871333.db2.gz DHFQPYRORHLZHH-POHAHGRESA-N 1 3 327.900 2.634 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001438800425 1388823787 /nfs/dbraw/zinc/82/37/87/1388823787.db2.gz DSUHRIVXGVKSSV-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2 ZINC001424439254 1383018606 /nfs/dbraw/zinc/01/86/06/1383018606.db2.gz CDDFVYFZOMJONQ-IBGZPJMESA-N 1 3 347.478 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001424439254 1383018609 /nfs/dbraw/zinc/01/86/09/1383018609.db2.gz CDDFVYFZOMJONQ-IBGZPJMESA-N 1 3 347.478 2.708 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001438811999 1388835065 /nfs/dbraw/zinc/83/50/65/1388835065.db2.gz ZAROHLSMWUGKMG-LJQANCHMSA-N 1 3 349.494 2.849 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](CC)CC2CC(C)C2)CC1 ZINC001424659477 1383234659 /nfs/dbraw/zinc/23/46/59/1383234659.db2.gz HJVCBNUVEKSFNZ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](CC)CC2CC(C)C2)CC1 ZINC001424659477 1383234666 /nfs/dbraw/zinc/23/46/66/1383234666.db2.gz HJVCBNUVEKSFNZ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C\c1ccccc1 ZINC001424719429 1383293160 /nfs/dbraw/zinc/29/31/60/1383293160.db2.gz RPKOBLAIUUDBER-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C\c1ccccc1 ZINC001424719429 1383293167 /nfs/dbraw/zinc/29/31/67/1383293167.db2.gz RPKOBLAIUUDBER-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001424718698 1383293460 /nfs/dbraw/zinc/29/34/60/1383293460.db2.gz GBTVDQLYLGUAFM-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001424718698 1383293466 /nfs/dbraw/zinc/29/34/66/1383293466.db2.gz GBTVDQLYLGUAFM-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001424949403 1383496864 /nfs/dbraw/zinc/49/68/64/1383496864.db2.gz PBVKSTYYFVQOKG-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001424949403 1383496868 /nfs/dbraw/zinc/49/68/68/1383496868.db2.gz PBVKSTYYFVQOKG-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cccc([C@H](C)N2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001425247701 1383564652 /nfs/dbraw/zinc/56/46/52/1383564652.db2.gz CYMRRXNAMWEHMK-SJORKVTESA-N 1 3 331.504 2.834 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001425252406 1383569437 /nfs/dbraw/zinc/56/94/37/1383569437.db2.gz JCTVNLSHMIQRBZ-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)(C)CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001425375036 1383634637 /nfs/dbraw/zinc/63/46/37/1383634637.db2.gz IPBQCOXYEUVPNI-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001425375036 1383634633 /nfs/dbraw/zinc/63/46/33/1383634633.db2.gz IPBQCOXYEUVPNI-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001425674381 1383750154 /nfs/dbraw/zinc/75/01/54/1383750154.db2.gz BARPPOJXLDFMCP-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425683147 1383758474 /nfs/dbraw/zinc/75/84/74/1383758474.db2.gz POUFEKWJCAAVCF-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001425683186 1383759561 /nfs/dbraw/zinc/75/95/61/1383759561.db2.gz PZLFFKPJORJKGB-XJKSGUPXSA-N 1 3 325.522 2.579 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001438879997 1388885339 /nfs/dbraw/zinc/88/53/39/1388885339.db2.gz YJDKSFNLJKEQNP-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001438879997 1388885345 /nfs/dbraw/zinc/88/53/45/1388885345.db2.gz YJDKSFNLJKEQNP-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001425969623 1383908269 /nfs/dbraw/zinc/90/82/69/1383908269.db2.gz PPMUZUVTMGDBCH-RBUKOAKNSA-N 1 3 331.504 2.711 20 0 EFADHO Cc1cc(C)c(CN(C)CCN(C)C(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001438900281 1388902429 /nfs/dbraw/zinc/90/24/29/1388902429.db2.gz AUFUPQDSFWTLDM-UHFFFAOYSA-N 1 3 345.531 2.844 20 0 EFADHO CCCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@@H]1CCN(C)C1 ZINC001426543066 1384405584 /nfs/dbraw/zinc/40/55/84/1384405584.db2.gz UDIIHCUVJITNGH-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001438961317 1388954584 /nfs/dbraw/zinc/95/45/84/1388954584.db2.gz LQQDPTHSFICPPB-ZMCCTTKHSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001439061641 1388972437 /nfs/dbraw/zinc/97/24/37/1388972437.db2.gz DHBBQOFPPVEHDG-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCN1C ZINC001439070807 1388976910 /nfs/dbraw/zinc/97/69/10/1388976910.db2.gz FRLWCKMZLMMUCL-UZLBHIALSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001434438621 1387151329 /nfs/dbraw/zinc/15/13/29/1387151329.db2.gz SKJRHSUMSCXWBS-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001434438621 1387151334 /nfs/dbraw/zinc/15/13/34/1387151334.db2.gz SKJRHSUMSCXWBS-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001439256471 1389077459 /nfs/dbraw/zinc/07/74/59/1389077459.db2.gz WNYRHWNHXCFLBF-ZENOOKHLSA-N 1 3 325.884 2.836 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001439364248 1389190471 /nfs/dbraw/zinc/19/04/71/1389190471.db2.gz NCMPWPONGWSYOS-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439366365 1389194637 /nfs/dbraw/zinc/19/46/37/1389194637.db2.gz HUSFBMGVFNBXIH-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC1CCC(F)(F)CC1 ZINC001439399585 1389243495 /nfs/dbraw/zinc/24/34/95/1389243495.db2.gz LIKGNLJCQVSHQJ-GFCCVEGCSA-N 1 3 342.434 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001439399585 1389243502 /nfs/dbraw/zinc/24/35/02/1389243502.db2.gz LIKGNLJCQVSHQJ-GFCCVEGCSA-N 1 3 342.434 2.523 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001439414552 1389270684 /nfs/dbraw/zinc/27/06/84/1389270684.db2.gz BMXDLAZQYYVUNN-PKOBYXMFSA-N 1 3 349.494 2.932 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001440160092 1389415022 /nfs/dbraw/zinc/41/50/22/1389415022.db2.gz SHDVPFZWYGUCLR-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001440160092 1389415024 /nfs/dbraw/zinc/41/50/24/1389415024.db2.gz SHDVPFZWYGUCLR-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001440252719 1389476509 /nfs/dbraw/zinc/47/65/09/1389476509.db2.gz PBJSIFXPLPEOIP-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001440252719 1389476512 /nfs/dbraw/zinc/47/65/12/1389476512.db2.gz PBJSIFXPLPEOIP-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001440300654 1389514689 /nfs/dbraw/zinc/51/46/89/1389514689.db2.gz HBKKINPTABGNBQ-QILLFSRXSA-N 1 3 349.906 2.666 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001440301926 1389515820 /nfs/dbraw/zinc/51/58/20/1389515820.db2.gz RMQVJXPSWREBHG-SFHVURJKSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001440301926 1389515823 /nfs/dbraw/zinc/51/58/23/1389515823.db2.gz RMQVJXPSWREBHG-SFHVURJKSA-N 1 3 347.478 2.827 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H](CC)N(C)C)CCC2)cc1 ZINC001440314976 1389527846 /nfs/dbraw/zinc/52/78/46/1389527846.db2.gz YMVSJMWSLGEJNK-GOSISDBHSA-N 1 3 331.504 2.718 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CCC1)C1CCC1 ZINC001440319064 1389531474 /nfs/dbraw/zinc/53/14/74/1389531474.db2.gz FEBDGAOLRWBJMU-UHFFFAOYSA-N 1 3 349.906 2.953 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001440325136 1389537569 /nfs/dbraw/zinc/53/75/69/1389537569.db2.gz XDQRCRPIDLLFIM-HRCADAONSA-N 1 3 335.467 2.713 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NCC2(NC/C=C\Cl)CCC2)cc1 ZINC001440342154 1389548972 /nfs/dbraw/zinc/54/89/72/1389548972.db2.gz WBVKSOZOZDJPJX-QCDXTXTGSA-N 1 3 349.906 2.785 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001440351596 1389557056 /nfs/dbraw/zinc/55/70/56/1389557056.db2.gz CAZMWXZAQHQPRN-ATZDWAIDSA-N 1 3 349.494 2.705 20 0 EFADHO CN(CCC[N@H+](C)CCCc1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001440449924 1389647817 /nfs/dbraw/zinc/64/78/17/1389647817.db2.gz VOQAYDRISCEJMZ-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CN(CCC[N@@H+](C)CCCc1cccc(F)c1)C(=O)[C@H]1CCCN1C ZINC001440449924 1389647823 /nfs/dbraw/zinc/64/78/23/1389647823.db2.gz VOQAYDRISCEJMZ-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440642655 1389792959 /nfs/dbraw/zinc/79/29/59/1389792959.db2.gz ALEYWPRCYGDPMN-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001440642655 1389792964 /nfs/dbraw/zinc/79/29/64/1389792964.db2.gz ALEYWPRCYGDPMN-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001440642658 1389792991 /nfs/dbraw/zinc/79/29/91/1389792991.db2.gz ALEYWPRCYGDPMN-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CN(C)C2CCC2)C[C@H]1C ZINC001440642658 1389792996 /nfs/dbraw/zinc/79/29/96/1389792996.db2.gz ALEYWPRCYGDPMN-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1cccs1 ZINC001440648142 1389796603 /nfs/dbraw/zinc/79/66/03/1389796603.db2.gz INFAEHPMIGZHCT-CVEARBPZSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1cccs1 ZINC001440648142 1389796607 /nfs/dbraw/zinc/79/66/07/1389796607.db2.gz INFAEHPMIGZHCT-CVEARBPZSA-N 1 3 349.544 2.744 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)Cc1ccccc1 ZINC001440674041 1389812250 /nfs/dbraw/zinc/81/22/50/1389812250.db2.gz JSUGXMISWNHWPV-SFHVURJKSA-N 1 3 331.504 2.540 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)Cc1ccccc1 ZINC001440674037 1389812986 /nfs/dbraw/zinc/81/29/86/1389812986.db2.gz JSUGXMISWNHWPV-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001440729954 1389850510 /nfs/dbraw/zinc/85/05/10/1389850510.db2.gz DSPJZQBWRURYND-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001440943788 1390031342 /nfs/dbraw/zinc/03/13/42/1390031342.db2.gz ZEGIIWWVPXIOTB-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001440943788 1390031347 /nfs/dbraw/zinc/03/13/47/1390031347.db2.gz ZEGIIWWVPXIOTB-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001440972088 1390063480 /nfs/dbraw/zinc/06/34/80/1390063480.db2.gz SRPFBUZQLGDTEE-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001440972088 1390063482 /nfs/dbraw/zinc/06/34/82/1390063482.db2.gz SRPFBUZQLGDTEE-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCc1ccccc1 ZINC001440983696 1390076290 /nfs/dbraw/zinc/07/62/90/1390076290.db2.gz HIKRHBXADXHYNS-AZUAARDMSA-N 1 3 345.531 2.930 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001441041659 1391055977 /nfs/dbraw/zinc/05/59/77/1391055977.db2.gz XFOANRSMXZOVNN-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC001441041659 1391055982 /nfs/dbraw/zinc/05/59/82/1391055982.db2.gz XFOANRSMXZOVNN-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC001441150500 1391147936 /nfs/dbraw/zinc/14/79/36/1391147936.db2.gz FCXWMYFDQZAYSV-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001441281550 1391230393 /nfs/dbraw/zinc/23/03/93/1391230393.db2.gz DTRHNILRPXYTCD-QGZVFWFLSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001441281550 1391230398 /nfs/dbraw/zinc/23/03/98/1391230398.db2.gz DTRHNILRPXYTCD-QGZVFWFLSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001441361301 1391266678 /nfs/dbraw/zinc/26/66/78/1391266678.db2.gz ZHIKVMJOMDXRBP-SFHVURJKSA-N 1 3 331.504 2.842 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc4ccccc4o3)C2)CCC1 ZINC001441383886 1391275409 /nfs/dbraw/zinc/27/54/09/1391275409.db2.gz JRFFHRYLZVESQY-WKILWMFISA-N 1 3 341.455 2.654 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001441413400 1391290437 /nfs/dbraw/zinc/29/04/37/1391290437.db2.gz FJPOVLVSNSDUJR-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccc(F)cc2F)C1 ZINC001441413400 1391290440 /nfs/dbraw/zinc/29/04/40/1391290440.db2.gz FJPOVLVSNSDUJR-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001441416288 1391291992 /nfs/dbraw/zinc/29/19/92/1391291992.db2.gz JSRHQZJVDFXACP-GUDVDZBRSA-N 1 3 343.515 2.685 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCc2ccsc2)CC1 ZINC001506955872 1406497845 /nfs/dbraw/zinc/49/78/45/1406497845.db2.gz OVEYGPYCKBQDHQ-SFHVURJKSA-N 1 3 349.544 2.698 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCc2ccsc2)CC1 ZINC001506955872 1406497850 /nfs/dbraw/zinc/49/78/50/1406497850.db2.gz OVEYGPYCKBQDHQ-SFHVURJKSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001441591181 1391380391 /nfs/dbraw/zinc/38/03/91/1391380391.db2.gz WGEUKSONDDOJHS-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001441591181 1391380396 /nfs/dbraw/zinc/38/03/96/1391380396.db2.gz WGEUKSONDDOJHS-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC001441836713 1391421548 /nfs/dbraw/zinc/42/15/48/1391421548.db2.gz CWFISTTVHHBJJU-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@@H](C(=O)NCC1CN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001443617053 1391453904 /nfs/dbraw/zinc/45/39/04/1391453904.db2.gz BWEWOLBAHVPTIE-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444318049 1391471049 /nfs/dbraw/zinc/47/10/49/1391471049.db2.gz GSTJJCVHCAAANG-RDJZCZTQSA-N 1 3 331.504 2.882 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001445556258 1391533428 /nfs/dbraw/zinc/53/34/28/1391533428.db2.gz BMPMXRISGABVJW-QWHCGFSZSA-N 1 3 339.430 2.604 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CCN2CCCc2ccccc2)CC1 ZINC001446090702 1391548010 /nfs/dbraw/zinc/54/80/10/1391548010.db2.gz AGTVMDFLSMAXRB-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001446625139 1391563960 /nfs/dbraw/zinc/56/39/60/1391563960.db2.gz DDOWTCZLACMWHL-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@H]1C ZINC001448023904 1391903158 /nfs/dbraw/zinc/90/31/58/1391903158.db2.gz OULGABUEMWBITC-DLBZAZTESA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccnc1 ZINC001448693486 1392175957 /nfs/dbraw/zinc/17/59/57/1392175957.db2.gz AUVQUXICONYXMJ-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001507089391 1406688206 /nfs/dbraw/zinc/68/82/06/1406688206.db2.gz MYKSYOXALRYCJX-YRYLYKBFSA-N 1 3 329.488 2.621 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001456545415 1394711505 /nfs/dbraw/zinc/71/15/05/1394711505.db2.gz CADSXGXIFLGAPM-ICSRJNTNSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC001456545415 1394711508 /nfs/dbraw/zinc/71/15/08/1394711508.db2.gz CADSXGXIFLGAPM-ICSRJNTNSA-N 1 3 343.515 2.982 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001507145758 1406764615 /nfs/dbraw/zinc/76/46/15/1406764615.db2.gz CDWYCJSEOXPJCA-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001507153125 1406777139 /nfs/dbraw/zinc/77/71/39/1406777139.db2.gz PBYCXGYGUINUCB-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460193084 1396012096 /nfs/dbraw/zinc/01/20/96/1396012096.db2.gz BYPLPJXVEAYEMK-QXAKKESOSA-N 1 3 334.504 2.865 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460193084 1396012102 /nfs/dbraw/zinc/01/21/02/1396012102.db2.gz BYPLPJXVEAYEMK-QXAKKESOSA-N 1 3 334.504 2.865 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001460230303 1396014054 /nfs/dbraw/zinc/01/40/54/1396014054.db2.gz SGAOHBDHUIZRPB-OAQYLSRUSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001460230303 1396014058 /nfs/dbraw/zinc/01/40/58/1396014058.db2.gz SGAOHBDHUIZRPB-OAQYLSRUSA-N 1 3 344.547 2.613 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccccc2C2CC2)CC1 ZINC001461146393 1396294108 /nfs/dbraw/zinc/29/41/08/1396294108.db2.gz NUAHVQCHKMJPHA-UHFFFAOYSA-N 1 3 329.488 2.596 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC001461341681 1396370921 /nfs/dbraw/zinc/37/09/21/1396370921.db2.gz AQTLUFYYFBEGDZ-IAGOWNOFSA-N 1 3 340.414 2.755 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC001462513921 1396439798 /nfs/dbraw/zinc/43/97/98/1396439798.db2.gz IUUSLQGBVJAEEL-LHQJTOJGSA-N 1 3 336.520 2.815 20 0 EFADHO CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001466680192 1396773121 /nfs/dbraw/zinc/77/31/21/1396773121.db2.gz UNQDHMQHUYEQFD-NSHGMRRFSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001466680192 1396773124 /nfs/dbraw/zinc/77/31/24/1396773124.db2.gz UNQDHMQHUYEQFD-NSHGMRRFSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289277 1406854057 /nfs/dbraw/zinc/85/40/57/1406854057.db2.gz QVYIXVOGYWYTSO-MAUKXSAKSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289879 1406854615 /nfs/dbraw/zinc/85/46/15/1406854615.db2.gz VQSYJVDSNQONKQ-PKOBYXMFSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@H]1[C@H](NCc2cc3ccccc3o2)CCN1C(=O)CCC[NH+](C)C ZINC001507291582 1406856139 /nfs/dbraw/zinc/85/61/39/1406856139.db2.gz WVALOCHYGMLTIR-MAUKXSAKSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@H]1C ZINC001507291912 1406856441 /nfs/dbraw/zinc/85/64/41/1406856441.db2.gz GCBODJGXOUBUEK-CRAIPNDOSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC001470298164 1397085150 /nfs/dbraw/zinc/08/51/50/1397085150.db2.gz RETYPCAQJCRQHE-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC001470855756 1397127163 /nfs/dbraw/zinc/12/71/63/1397127163.db2.gz UJKHIUVGNDGYAP-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC001470855756 1397127166 /nfs/dbraw/zinc/12/71/66/1397127166.db2.gz UJKHIUVGNDGYAP-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001473931306 1397352740 /nfs/dbraw/zinc/35/27/40/1397352740.db2.gz GFLCVMLRCQZNAE-OAHLLOKOSA-N 1 3 338.927 2.522 20 0 EFADHO Cc1nc2ccccn2c1CNCc1cccc(OCC[NH+](C)C)c1 ZINC001473939064 1397353746 /nfs/dbraw/zinc/35/37/46/1397353746.db2.gz SXUHQKMPGQPPPL-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001479234000 1397629151 /nfs/dbraw/zinc/62/91/51/1397629151.db2.gz LRLFBFQVFGFZCQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1cc(C)ccc1C ZINC001479257313 1397647085 /nfs/dbraw/zinc/64/70/85/1397647085.db2.gz POBJBUXRKWFSNG-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1cc(C)ccc1C ZINC001479257313 1397647088 /nfs/dbraw/zinc/64/70/88/1397647088.db2.gz POBJBUXRKWFSNG-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001479271124 1397660638 /nfs/dbraw/zinc/66/06/38/1397660638.db2.gz RCMJUWMPIDTPFK-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001479301194 1397672539 /nfs/dbraw/zinc/67/25/39/1397672539.db2.gz XWGVVJCADFHUSR-WOVMCDHWSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001479322582 1397684099 /nfs/dbraw/zinc/68/40/99/1397684099.db2.gz VSEUGJDYVNRZEM-RYGJVYDSSA-N 1 3 343.515 2.630 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001479338675 1397693176 /nfs/dbraw/zinc/69/31/76/1397693176.db2.gz QSBQCESQKNDXLW-RLFYNMQTSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001479371050 1397705968 /nfs/dbraw/zinc/70/59/68/1397705968.db2.gz HIIXUZRPILDSPA-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001479400247 1397714613 /nfs/dbraw/zinc/71/46/13/1397714613.db2.gz QFYQKIOPPRHULO-ZWOKBUDYSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001479971191 1398055661 /nfs/dbraw/zinc/05/56/61/1398055661.db2.gz MDCNBTQDFBFMKP-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001480084871 1398120766 /nfs/dbraw/zinc/12/07/66/1398120766.db2.gz ONNUWWNZWSOUMZ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001480084871 1398120769 /nfs/dbraw/zinc/12/07/69/1398120769.db2.gz ONNUWWNZWSOUMZ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C1)CC(C)(C)C ZINC001480158530 1398132933 /nfs/dbraw/zinc/13/29/33/1398132933.db2.gz RQPPPZJFFMVDKI-HAQNSBGRSA-N 1 3 336.307 2.520 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001480168530 1398138599 /nfs/dbraw/zinc/13/85/99/1398138599.db2.gz NLZMBRXOLFDMHR-IYARVYRRSA-N 1 3 331.504 2.889 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)CNC(=O)c1cccc(CN(C)C)c1 ZINC001480596792 1398237321 /nfs/dbraw/zinc/23/73/21/1398237321.db2.gz MIAHWLWHKGVVBY-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+]1CCCC1)c1ccccc1F ZINC001480597847 1398237890 /nfs/dbraw/zinc/23/78/90/1398237890.db2.gz VJJXXQMURNFHBR-JKSUJKDBSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001480675062 1398277204 /nfs/dbraw/zinc/27/72/04/1398277204.db2.gz CNQMJOOEIBZHTJ-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001480697768 1398291228 /nfs/dbraw/zinc/29/12/28/1398291228.db2.gz NZCDKOCCIIQIIZ-GJZGRUSLSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001480805001 1398323347 /nfs/dbraw/zinc/32/33/47/1398323347.db2.gz JZIWTFKMSVMLAB-PXAZEXFGSA-N 1 3 344.434 2.572 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001493239965 1398556393 /nfs/dbraw/zinc/55/63/93/1398556393.db2.gz NHPGVIURRARFJN-SFHVURJKSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001493239965 1398556398 /nfs/dbraw/zinc/55/63/98/1398556398.db2.gz NHPGVIURRARFJN-SFHVURJKSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001493412936 1398687036 /nfs/dbraw/zinc/68/70/36/1398687036.db2.gz CZTSJQFUGXMCSF-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[N@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001493412936 1398687040 /nfs/dbraw/zinc/68/70/40/1398687040.db2.gz CZTSJQFUGXMCSF-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)c1 ZINC001494020168 1399065973 /nfs/dbraw/zinc/06/59/73/1399065973.db2.gz HMFINULJIYFTMJ-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)CN(C)C3CCC3)C2)c1 ZINC001494020168 1399065975 /nfs/dbraw/zinc/06/59/75/1399065975.db2.gz HMFINULJIYFTMJ-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001494054572 1399094890 /nfs/dbraw/zinc/09/48/90/1399094890.db2.gz KQTCJFVVOZMWMS-NUEUPRNCSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001494054572 1399094895 /nfs/dbraw/zinc/09/48/95/1399094895.db2.gz KQTCJFVVOZMWMS-NUEUPRNCSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137414 1399159966 /nfs/dbraw/zinc/15/99/66/1399159966.db2.gz MEOWWAFVPIKBKC-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137414 1399159968 /nfs/dbraw/zinc/15/99/68/1399159968.db2.gz MEOWWAFVPIKBKC-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001494171526 1399185900 /nfs/dbraw/zinc/18/59/00/1399185900.db2.gz IVQRTMMQIWKDRX-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001494171526 1399185904 /nfs/dbraw/zinc/18/59/04/1399185904.db2.gz IVQRTMMQIWKDRX-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CC/C=C/c2ccccc2)C1)C1CCC1 ZINC001494558665 1399378500 /nfs/dbraw/zinc/37/85/00/1399378500.db2.gz HROKDPVMOLBORG-BJMVGYQFSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NCC1C[NH+]([C@@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001494559219 1399379217 /nfs/dbraw/zinc/37/92/17/1399379217.db2.gz NXDUOFGLAMGYJQ-HXUWFJFHSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)C[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001494661045 1399419507 /nfs/dbraw/zinc/41/95/07/1399419507.db2.gz YPTGXJSOLXJSSH-SQNIBIBYSA-N 1 3 333.520 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001507414331 1407027912 /nfs/dbraw/zinc/02/79/12/1407027912.db2.gz FLFNUMUUNSIMCS-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001507414331 1407027916 /nfs/dbraw/zinc/02/79/16/1407027916.db2.gz FLFNUMUUNSIMCS-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001494908927 1399548986 /nfs/dbraw/zinc/54/89/86/1399548986.db2.gz GEQYJNWOFNYLFC-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494919340 1399556205 /nfs/dbraw/zinc/55/62/05/1399556205.db2.gz VBVNOCFHOHWHOX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494919340 1399556213 /nfs/dbraw/zinc/55/62/13/1399556213.db2.gz VBVNOCFHOHWHOX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494919343 1399556356 /nfs/dbraw/zinc/55/63/56/1399556356.db2.gz VBVNOCFHOHWHOX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001494919343 1399556359 /nfs/dbraw/zinc/55/63/59/1399556359.db2.gz VBVNOCFHOHWHOX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccnc1C ZINC001494981302 1399587395 /nfs/dbraw/zinc/58/73/95/1399587395.db2.gz NJSFNIBTTCCBOG-SFHVURJKSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccccc1Cl ZINC001495052631 1399629906 /nfs/dbraw/zinc/62/99/06/1399629906.db2.gz YMXWUNDHTWMMFX-OAHLLOKOSA-N 1 3 337.895 2.666 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001495099134 1399663750 /nfs/dbraw/zinc/66/37/50/1399663750.db2.gz RCKGVAQXNDRQDC-INIZCTEOSA-N 1 3 334.508 2.961 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001495280720 1399789896 /nfs/dbraw/zinc/78/98/96/1399789896.db2.gz QDFVHTKSHJEWDY-PKOBYXMFSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001495298399 1399807316 /nfs/dbraw/zinc/80/73/16/1399807316.db2.gz OLUQNNPXBDXHJO-IBGZPJMESA-N 1 3 332.492 2.715 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001495683742 1400164642 /nfs/dbraw/zinc/16/46/42/1400164642.db2.gz KEDRQJLSHCCMHY-OAHLLOKOSA-N 1 3 331.504 2.630 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001495787424 1400268321 /nfs/dbraw/zinc/26/83/21/1400268321.db2.gz BATJGIJQSKVDQE-BEFAXECRSA-N 1 3 349.494 2.887 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001496370375 1400679025 /nfs/dbraw/zinc/67/90/25/1400679025.db2.gz UJDGMLGJVRAAGR-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001496463582 1400747856 /nfs/dbraw/zinc/74/78/56/1400747856.db2.gz SGOBEPABFYFVBY-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001496715949 1400937763 /nfs/dbraw/zinc/93/77/63/1400937763.db2.gz UGZVZICCEAVZHR-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccccc1C ZINC001496715949 1400937765 /nfs/dbraw/zinc/93/77/65/1400937765.db2.gz UGZVZICCEAVZHR-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001496717043 1400938987 /nfs/dbraw/zinc/93/89/87/1400938987.db2.gz CNUOOSVKMFWCKW-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001496717043 1400938992 /nfs/dbraw/zinc/93/89/92/1400938992.db2.gz CNUOOSVKMFWCKW-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001496888819 1401079332 /nfs/dbraw/zinc/07/93/32/1401079332.db2.gz QHXOMWWLURADOK-QUCCMNQESA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)CN1CC[C@H](C)C1 ZINC001497453738 1401386754 /nfs/dbraw/zinc/38/67/54/1401386754.db2.gz FQVKPTPNMFABJH-FUHWJXTLSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001498056473 1401834622 /nfs/dbraw/zinc/83/46/22/1401834622.db2.gz VOSSUSZMNORZLJ-FTRWYGJKSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001498056346 1401834649 /nfs/dbraw/zinc/83/46/49/1401834649.db2.gz QIXNHMOGDKRBJD-KYNGSXCRSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccc(CN(C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001498457917 1402120272 /nfs/dbraw/zinc/12/02/72/1402120272.db2.gz QKLWXHIBSSYKPN-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001498769053 1402278586 /nfs/dbraw/zinc/27/85/86/1402278586.db2.gz GVMOAYMEKNEKTF-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2Cl)C2CC2)CCC1 ZINC001498771534 1402279392 /nfs/dbraw/zinc/27/93/92/1402279392.db2.gz WADMWKHONHIWAR-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1cccnc1)C(C)(C)C)CC(C)(C)C ZINC001508027437 1407246643 /nfs/dbraw/zinc/24/66/43/1407246643.db2.gz YNGHOTVVAPUORU-KRWDZBQOSA-N 1 3 348.535 2.680 20 0 EFADHO CC(C)(C)[C@@H](CNCc1ccccn1)NC(=O)CCC[NH+]1CCCC1 ZINC001508035816 1407255676 /nfs/dbraw/zinc/25/56/76/1407255676.db2.gz MYTHMWCGMZBELR-GOSISDBHSA-N 1 3 346.519 2.578 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001499226520 1402528439 /nfs/dbraw/zinc/52/84/39/1402528439.db2.gz QZOOCKVFARWXEQ-LJQANCHMSA-N 1 3 343.515 2.915 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001499228900 1402529238 /nfs/dbraw/zinc/52/92/38/1402529238.db2.gz LRFMEWRRFGOLSH-OZVSCIAHSA-N 1 3 339.911 2.632 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001499228900 1402529241 /nfs/dbraw/zinc/52/92/41/1402529241.db2.gz LRFMEWRRFGOLSH-OZVSCIAHSA-N 1 3 339.911 2.632 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCc2ccccc2Cl)CC1)C1CCC1 ZINC001499250849 1402538045 /nfs/dbraw/zinc/53/80/45/1402538045.db2.gz LSOHUBMACCOIOB-UHFFFAOYSA-N 1 3 349.906 2.605 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001499263554 1402542669 /nfs/dbraw/zinc/54/26/69/1402542669.db2.gz IKUFYESCVMWSCO-PKOBYXMFSA-N 1 3 343.515 2.685 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001499324775 1402566037 /nfs/dbraw/zinc/56/60/37/1402566037.db2.gz NVHQXKIZJQZOOP-QHQPLOKBSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001499324775 1402566039 /nfs/dbraw/zinc/56/60/39/1402566039.db2.gz NVHQXKIZJQZOOP-QHQPLOKBSA-N 1 3 339.911 2.774 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001499609300 1402715143 /nfs/dbraw/zinc/71/51/43/1402715143.db2.gz DQCBHHLNJNUJQH-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001499609300 1402715147 /nfs/dbraw/zinc/71/51/47/1402715147.db2.gz DQCBHHLNJNUJQH-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001499842622 1402811071 /nfs/dbraw/zinc/81/10/71/1402811071.db2.gz ADYYRYPYCUAGFA-BKMOOISMSA-N 1 3 348.318 2.616 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CC(F)(F)C1)CC(C)(C)C ZINC001499926283 1402857795 /nfs/dbraw/zinc/85/77/95/1402857795.db2.gz HDKFVUAXRZLSPL-HNNXBMFYSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001500380071 1403085725 /nfs/dbraw/zinc/08/57/25/1403085725.db2.gz JOUFACMLOIHCMY-DNVCBOLYSA-N 1 3 326.444 2.542 20 0 EFADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001500459396 1403136468 /nfs/dbraw/zinc/13/64/68/1403136468.db2.gz HXMVXHDFATYMKX-UHFFFAOYSA-N 1 3 345.478 2.592 20 0 EFADHO C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051372 1403421266 /nfs/dbraw/zinc/42/12/66/1403421266.db2.gz VLZWJUWPWFFPPF-QWHCGFSZSA-N 1 3 348.318 2.616 20 0 EFADHO CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001501081201 1403432870 /nfs/dbraw/zinc/43/28/70/1403432870.db2.gz ZJGRDKLURGTEJB-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cc(F)ccc2C)C1 ZINC001501083260 1403433167 /nfs/dbraw/zinc/43/31/67/1403433167.db2.gz GMNJXWTXRSIDTK-DLBZAZTESA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2C)C1 ZINC001501083261 1403433183 /nfs/dbraw/zinc/43/31/83/1403433183.db2.gz GMNJXWTXRSIDTK-IAGOWNOFSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501640458 1403661843 /nfs/dbraw/zinc/66/18/43/1403661843.db2.gz CKMZLTDTEXLLRH-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC001502135915 1404033907 /nfs/dbraw/zinc/03/39/07/1404033907.db2.gz UUVRXNMUHHFMLO-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001502754020 1404325767 /nfs/dbraw/zinc/32/57/67/1404325767.db2.gz KFHZTFLOLFMBEK-OCCSQVGLSA-N 1 3 343.924 2.680 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001502936443 1404437745 /nfs/dbraw/zinc/43/77/45/1404437745.db2.gz YLOSPTQSBRYWKI-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001502936443 1404437747 /nfs/dbraw/zinc/43/77/47/1404437747.db2.gz YLOSPTQSBRYWKI-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001503004728 1404456939 /nfs/dbraw/zinc/45/69/39/1404456939.db2.gz ZKOYTYHRNINPLM-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001503004728 1404456942 /nfs/dbraw/zinc/45/69/42/1404456942.db2.gz ZKOYTYHRNINPLM-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001503004035 1404457196 /nfs/dbraw/zinc/45/71/96/1404457196.db2.gz VKWADIZDNPFHKO-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001503004035 1404457200 /nfs/dbraw/zinc/45/72/00/1404457200.db2.gz VKWADIZDNPFHKO-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCCN1CCc2ccccc2[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001503678506 1404497093 /nfs/dbraw/zinc/49/70/93/1404497093.db2.gz PXUABBOHNVKDKJ-LJQANCHMSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@H+](CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1)C(C)C ZINC001505399650 1404554271 /nfs/dbraw/zinc/55/42/71/1404554271.db2.gz UWLHMGGOUPDWDX-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@@H+](CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1)C(C)C ZINC001505399650 1404554278 /nfs/dbraw/zinc/55/42/78/1404554278.db2.gz UWLHMGGOUPDWDX-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO COC1C[C@H]2CC([NH2+]C3CCC(C)(N4CCOCC4)CC3)C[C@@H]2C1 ZINC001551237964 1413970062 /nfs/dbraw/zinc/97/00/62/1413970062.db2.gz DDKUPCQPTGMOFO-SBXPZINTSA-N 1 3 336.520 2.813 20 0 EFADHO Cn1cc(-c2nc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)cs2)cn1 ZINC001551262309 1413983782 /nfs/dbraw/zinc/98/37/82/1413983782.db2.gz QWJVBHWYRHXERD-JJRVBVJISA-N 1 3 345.516 2.706 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3ccc(-c4nccs4)n3)C[C@@H]2C1 ZINC001551380720 1414049619 /nfs/dbraw/zinc/04/96/19/1414049619.db2.gz FZIZFYVZSRKBSY-SOUVJXGZSA-N 1 3 331.489 2.626 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3cnc(-c4ccccc4)n3)C[C@H]2C1 ZINC001551382080 1414051450 /nfs/dbraw/zinc/05/14/50/1414051450.db2.gz LVNWEEKAYOLACW-RCCFBDPRSA-N 1 3 325.460 2.565 20 0 EFADHO c1cc(CN2CC[C@@]3(C2)COCCO3)cc(C[NH+]2CCCCC2)c1 ZINC001551384617 1414052980 /nfs/dbraw/zinc/05/29/80/1414052980.db2.gz YOBMHRWXFXUUMP-HXUWFJFHSA-N 1 3 330.472 2.664 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2COC[C@@H]2c2ccccc2)CC1 ZINC001551398436 1414060972 /nfs/dbraw/zinc/06/09/72/1414060972.db2.gz DLUHVABSNRHTKD-JWFWCLOMSA-N 1 3 344.499 2.792 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC001551400398 1414062285 /nfs/dbraw/zinc/06/22/85/1414062285.db2.gz OWBOLPVJJDQYHR-ADEKHHIBSA-N 1 3 338.536 2.941 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC001551400402 1414062450 /nfs/dbraw/zinc/06/24/50/1414062450.db2.gz OWBOLPVJJDQYHR-IQNGYNMSSA-N 1 3 338.536 2.941 20 0 EFADHO C[C@H](NC1CCC(C)([NH+]2CCOCC2)CC1)c1ncc(Cl)n1C ZINC001551402469 1414063809 /nfs/dbraw/zinc/06/38/09/1414063809.db2.gz VAEIBTYUHPACNT-CBCUQQMYSA-N 1 3 340.899 2.758 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)N1 ZINC001552231566 1414382635 /nfs/dbraw/zinc/38/26/35/1414382635.db2.gz IHZYTBBZRZIQRX-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@H]3C[C@H](OC(C)(C)C)C34CCC4)c2C1 ZINC001552273372 1414401103 /nfs/dbraw/zinc/40/11/03/1414401103.db2.gz HSFQKMJVXRDJGJ-IRXDYDNUSA-N 1 3 332.492 2.544 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C3(CCCCC3)C2)CCN(C2CC2)C1 ZINC001552294266 1414408299 /nfs/dbraw/zinc/40/82/99/1414408299.db2.gz XFIMKWOMUQDFGX-SJORKVTESA-N 1 3 348.535 2.567 20 0 EFADHO CCn1cc([C@H]2OCC[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552375768 1414443137 /nfs/dbraw/zinc/44/31/37/1414443137.db2.gz LUMQQEDZCCMRDP-YJBOKZPZSA-N 1 3 334.508 2.833 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC001552377699 1414444059 /nfs/dbraw/zinc/44/40/59/1414444059.db2.gz DENQCRUBILLTMU-VUHPKUFZSA-N 1 3 334.508 2.833 20 0 EFADHO c1ccc2oc(C3CCN(C[C@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC001552413356 1414451035 /nfs/dbraw/zinc/45/10/35/1414451035.db2.gz FUHOBJKFPXNVQN-OAHLLOKOSA-N 1 3 327.428 2.528 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N2CCCC2)cc1 ZINC001552420289 1414452153 /nfs/dbraw/zinc/45/21/53/1414452153.db2.gz RNOZCWXPZLQTOF-RTBURBONSA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(-c3nc([C@H]4CN5CCC4CC5)no3)cc21 ZINC001552469042 1414460472 /nfs/dbraw/zinc/46/04/72/1414460472.db2.gz IXUVCCSBSIBCMI-AEFFLSMTSA-N 1 3 338.455 2.924 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001552523857 1414477645 /nfs/dbraw/zinc/47/76/45/1414477645.db2.gz HNXFDRJBQRTCPH-QWFCFKBJSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001552525898 1414479670 /nfs/dbraw/zinc/47/96/70/1414479670.db2.gz IJUDGGMYCWUUKS-HLNWXESRSA-N 1 3 346.519 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC001552525898 1414479672 /nfs/dbraw/zinc/47/96/72/1414479672.db2.gz IJUDGGMYCWUUKS-HLNWXESRSA-N 1 3 346.519 2.787 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@H]2[NH2+]CC3)N2CCCC2)cc1 ZINC001552830814 1414577460 /nfs/dbraw/zinc/57/74/60/1414577460.db2.gz GTMTWDLWCUFJTM-QKNQBKEWSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)N2CCCC2)cc1 ZINC001552830812 1414577837 /nfs/dbraw/zinc/57/78/37/1414577837.db2.gz GTMTWDLWCUFJTM-IRFCIJBXSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)N(C)C)cc1 ZINC001553444681 1414815928 /nfs/dbraw/zinc/81/59/28/1414815928.db2.gz XVEAHBAEKRQHLJ-UYAOXDASSA-N 1 3 344.503 2.525 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)[C@H](c1ccccc1)N(C)C ZINC001553481451 1414833791 /nfs/dbraw/zinc/83/37/91/1414833791.db2.gz KCRVUCDFEXHOPV-ILZDJORESA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](NC(=O)NC1(C2CC[NH2+]CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC001553480778 1414834109 /nfs/dbraw/zinc/83/41/09/1414834109.db2.gz IMKKXEISVGSSHT-YJBOKZPZSA-N 1 3 344.503 2.509 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001645885221 1416579616 /nfs/dbraw/zinc/57/96/16/1416579616.db2.gz VSULZORXBSGWOG-MOPGFXCFSA-N 1 3 344.503 2.673 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)C3CCCCC3)C2)CC1 ZINC001645892813 1416581381 /nfs/dbraw/zinc/58/13/81/1416581381.db2.gz KEQAARKSAAXLHY-PKOBYXMFSA-N 1 3 335.536 2.865 20 0 EFADHO CCCN1CCCC[C@@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393535 1416769518 /nfs/dbraw/zinc/76/95/18/1416769518.db2.gz VDAOSFXMHUBLHK-LJQANCHMSA-N 1 3 344.503 2.679 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136604791 1417300351 /nfs/dbraw/zinc/30/03/51/1417300351.db2.gz IWTZYHOJVCDEQM-PMACEKPBSA-N 1 3 332.488 2.943 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1)N(C)C ZINC001698746700 1417326798 /nfs/dbraw/zinc/32/67/98/1417326798.db2.gz VRKSFQRZRBDGKP-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccccc2F)C1)N(C)C ZINC001699852551 1417479105 /nfs/dbraw/zinc/47/91/05/1417479105.db2.gz CPWXQYFQOIAMHU-QUCCMNQESA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001700079171 1417556103 /nfs/dbraw/zinc/55/61/03/1417556103.db2.gz MMKWMFCLXKUCDZ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000236716811 1418337963 /nfs/dbraw/zinc/33/79/63/1418337963.db2.gz SASPAXSCBRWVLB-YLJYHZDGSA-N 1 3 330.472 2.818 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCCCF)C2)N(C)C ZINC001716724852 1418976171 /nfs/dbraw/zinc/97/61/71/1418976171.db2.gz OUUNSRBMKZVVET-PKOBYXMFSA-N 1 3 341.515 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCCCF)C2)N(C)C ZINC001716724852 1418976175 /nfs/dbraw/zinc/97/61/75/1418976175.db2.gz OUUNSRBMKZVVET-PKOBYXMFSA-N 1 3 341.515 2.781 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@@H+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC001718030781 1419668873 /nfs/dbraw/zinc/66/88/73/1419668873.db2.gz DYKKQSDSHZEQNZ-VQIMIIECSA-N 1 3 329.488 2.836 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@H+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC001718030781 1419668876 /nfs/dbraw/zinc/66/88/76/1419668876.db2.gz DYKKQSDSHZEQNZ-VQIMIIECSA-N 1 3 329.488 2.836 20 0 EFADHO CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000247993328 1422461727 /nfs/dbraw/zinc/46/17/27/1422461727.db2.gz LXPVZEXZHWIJDK-RBUKOAKNSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000247993328 1422461730 /nfs/dbraw/zinc/46/17/30/1422461730.db2.gz LXPVZEXZHWIJDK-RBUKOAKNSA-N 1 3 331.504 2.978 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C/c2ccccc2)CCC1 ZINC001723905198 1424608110 /nfs/dbraw/zinc/60/81/10/1424608110.db2.gz CVLAFQLRIRAEFI-SSGOSMAHSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1F ZINC000969200044 712965906 /nfs/dbraw/zinc/96/59/06/712965906.db2.gz NWTPMKKGMYLVCY-JKSUJKDBSA-N 1 3 345.462 2.706 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001020543581 713124448 /nfs/dbraw/zinc/12/44/48/713124448.db2.gz WAGYSLHKDAKABX-FVQBIDKESA-N 1 3 349.906 2.980 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000969595215 713183468 /nfs/dbraw/zinc/18/34/68/713183468.db2.gz PINWOFAGZPMERI-BPQIPLTHSA-N 1 3 347.890 2.612 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000969653879 713206078 /nfs/dbraw/zinc/20/60/78/713206078.db2.gz NJPDCCKDZBITGR-QAPCUYQASA-N 1 3 349.544 2.600 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000969653877 713206120 /nfs/dbraw/zinc/20/61/20/713206120.db2.gz NJPDCCKDZBITGR-CRAIPNDOSA-N 1 3 349.544 2.600 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3ccccc3F)C2)C1 ZINC000969674715 713213590 /nfs/dbraw/zinc/21/35/90/713213590.db2.gz OESAVAIIVKKQLW-QZTJIDSGSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3ccccc3F)C2)C1 ZINC000969674715 713213592 /nfs/dbraw/zinc/21/35/92/713213592.db2.gz OESAVAIIVKKQLW-QZTJIDSGSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC000969688987 713219432 /nfs/dbraw/zinc/21/94/32/713219432.db2.gz GOEZDQSSAWDAOQ-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC000969688987 713219435 /nfs/dbraw/zinc/21/94/35/713219435.db2.gz GOEZDQSSAWDAOQ-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC000969691580 713220237 /nfs/dbraw/zinc/22/02/37/713220237.db2.gz UVEKBRWALNZXMP-ZYSHUDEJSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC000969691580 713220239 /nfs/dbraw/zinc/22/02/39/713220239.db2.gz UVEKBRWALNZXMP-ZYSHUDEJSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969698641 713222712 /nfs/dbraw/zinc/22/27/12/713222712.db2.gz FREKSNUCKGEXSN-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969698641 713222715 /nfs/dbraw/zinc/22/27/15/713222715.db2.gz FREKSNUCKGEXSN-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC000969700880 713223551 /nfs/dbraw/zinc/22/35/51/713223551.db2.gz QVKQNRYORJBISF-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC000969700880 713223554 /nfs/dbraw/zinc/22/35/54/713223554.db2.gz QVKQNRYORJBISF-SQGPQFPESA-N 1 3 343.515 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969793641 713263982 /nfs/dbraw/zinc/26/39/82/713263982.db2.gz QJYHLSCWMKIMLU-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969794078 713264353 /nfs/dbraw/zinc/26/43/53/713264353.db2.gz UTEDGTNSFJYHLS-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969794008 713264386 /nfs/dbraw/zinc/26/43/86/713264386.db2.gz UBIYTLQCNZQNQF-APWZRJJASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001020586045 713265389 /nfs/dbraw/zinc/26/53/89/713265389.db2.gz CQZGCHRPHLVYTF-FHWLQOOXSA-N 1 3 343.515 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001020586166 713265762 /nfs/dbraw/zinc/26/57/62/713265762.db2.gz HAJMHHCPNNPXCK-JQFCIGGWSA-N 1 3 335.879 2.561 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586217 713265772 /nfs/dbraw/zinc/26/57/72/713265772.db2.gz IHNMCPYHRUKOOD-VDGAXYAQSA-N 1 3 343.515 2.513 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001020588759 713267115 /nfs/dbraw/zinc/26/71/15/713267115.db2.gz LJIBOGPLOBLULL-NSISKUIASA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001020586657 713267575 /nfs/dbraw/zinc/26/75/75/713267575.db2.gz VCEFJCHWCXATCR-JQFCIGGWSA-N 1 3 335.879 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001020586831 713267791 /nfs/dbraw/zinc/26/77/91/713267791.db2.gz ZVGQLDAXFSMBLP-YSSFQJQWSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1Cl ZINC001020590048 713268777 /nfs/dbraw/zinc/26/87/77/713268777.db2.gz KXKJHJCCHYYMLW-FZKCQIBNSA-N 1 3 349.906 2.980 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001020589900 713268789 /nfs/dbraw/zinc/26/87/89/713268789.db2.gz HIKQXLKXVMESIF-OWYHZJEWSA-N 1 3 329.488 2.716 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001020589899 713268826 /nfs/dbraw/zinc/26/88/26/713268826.db2.gz HIKQXLKXVMESIF-NXWXRZEISA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)c(C)c1 ZINC001020591107 713269760 /nfs/dbraw/zinc/26/97/60/713269760.db2.gz DUYZOLJKXXIGMA-WGSAOQKQSA-N 1 3 343.515 2.772 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC001020591366 713269845 /nfs/dbraw/zinc/26/98/45/713269845.db2.gz LWPSYRISFMQXIR-ZHALLVOQSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591301 713269901 /nfs/dbraw/zinc/26/99/01/713269901.db2.gz KDFWVZJMKLKOHM-IYARVYRRSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591698 713270159 /nfs/dbraw/zinc/27/01/59/713270159.db2.gz SCMRKRLDQFPADN-IYARVYRRSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834313 713275874 /nfs/dbraw/zinc/27/58/74/713275874.db2.gz WTTTYTXRHZFQIC-PKOBYXMFSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834313 713275875 /nfs/dbraw/zinc/27/58/75/713275875.db2.gz WTTTYTXRHZFQIC-PKOBYXMFSA-N 1 3 347.547 2.901 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001020593124 713271419 /nfs/dbraw/zinc/27/14/19/713271419.db2.gz XQCNGGGVMKFBMC-HJWJTTGWSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001020593124 713271421 /nfs/dbraw/zinc/27/14/21/713271421.db2.gz XQCNGGGVMKFBMC-HJWJTTGWSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845260 713280077 /nfs/dbraw/zinc/28/00/77/713280077.db2.gz XOGQLVFJDLJBOE-QXAKKESOSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000969845716 713280449 /nfs/dbraw/zinc/28/04/49/713280449.db2.gz GOHSIXNYNSHTNP-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC000969845936 713280630 /nfs/dbraw/zinc/28/06/30/713280630.db2.gz MTTIKXBZYBRWHR-BZUAXINKSA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000969844815 713281278 /nfs/dbraw/zinc/28/12/78/713281278.db2.gz QVYGYLKRARALJM-WOJBJXKFSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)COCC2CCCCC2)CC1 ZINC000932421098 713287213 /nfs/dbraw/zinc/28/72/13/713287213.db2.gz MMEQZJYKYJCAEP-IBGZPJMESA-N 1 3 339.568 2.978 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000969949264 713320237 /nfs/dbraw/zinc/32/02/37/713320237.db2.gz PMJVANDBFOVVDH-QFBILLFUSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000969949663 713320437 /nfs/dbraw/zinc/32/04/37/713320437.db2.gz WVSOWEOETWFYMX-NVXWUHKLSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1 ZINC000969949663 713320439 /nfs/dbraw/zinc/32/04/39/713320439.db2.gz WVSOWEOETWFYMX-NVXWUHKLSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000969950984 713320794 /nfs/dbraw/zinc/32/07/94/713320794.db2.gz LNKRQCVIGRHYRU-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969948890 713321192 /nfs/dbraw/zinc/32/11/92/713321192.db2.gz MNDMHLXFTJHUKO-IEBWSBKVSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000969965006 713324749 /nfs/dbraw/zinc/32/47/49/713324749.db2.gz JWYYNDPORKELRI-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000969985443 713334238 /nfs/dbraw/zinc/33/42/38/713334238.db2.gz IMWQCGYRPZOFQU-MJGOQNOKSA-N 1 3 331.504 2.643 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC000969986050 713334640 /nfs/dbraw/zinc/33/46/40/713334640.db2.gz QDIGSVKPEJICGD-NEWSRXKRSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC000969991409 713336632 /nfs/dbraw/zinc/33/66/32/713336632.db2.gz JOBQAQOYUXAMIV-MOPGFXCFSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001020673801 713345216 /nfs/dbraw/zinc/34/52/16/713345216.db2.gz QQHNOEHLHZDLOZ-KBAYOESNSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020675902 713345594 /nfs/dbraw/zinc/34/55/94/713345594.db2.gz JQBLXUSBTQEDCZ-FHWLQOOXSA-N 1 3 329.488 2.686 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000970104374 713399584 /nfs/dbraw/zinc/39/95/84/713399584.db2.gz CWCGZOIEHAKWMX-HZPDHXFCSA-N 1 3 326.444 2.521 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC000970171667 713498019 /nfs/dbraw/zinc/49/80/19/713498019.db2.gz LIUZNTYAOVOQLZ-SJLPKXTDSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000970176626 713506462 /nfs/dbraw/zinc/50/64/62/713506462.db2.gz FMINLMHDYGYAEM-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001021089353 713561748 /nfs/dbraw/zinc/56/17/48/713561748.db2.gz ARIPRLLPKFTALI-XNFNUYLZSA-N 1 3 343.515 2.859 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccsc3)C2)c1 ZINC001021091942 713563283 /nfs/dbraw/zinc/56/32/83/713563283.db2.gz ZZZURHZBKQIWTP-IYARVYRRSA-N 1 3 343.496 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001021094003 713563908 /nfs/dbraw/zinc/56/39/08/713563908.db2.gz JMJXCVYYFNDZOO-UTRMSSBJSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001021096456 713575025 /nfs/dbraw/zinc/57/50/25/713575025.db2.gz UCEAKPSQEBKDPJ-LNLFQRSKSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001021096451 713575218 /nfs/dbraw/zinc/57/52/18/713575218.db2.gz TXTQBWTZSOPFSA-GUDVDZBRSA-N 1 3 347.478 2.745 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325383 713635435 /nfs/dbraw/zinc/63/54/35/713635435.db2.gz DYYCCHRORRTUKP-MAUKXSAKSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325383 713635437 /nfs/dbraw/zinc/63/54/37/713635437.db2.gz DYYCCHRORRTUKP-MAUKXSAKSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326934 713636778 /nfs/dbraw/zinc/63/67/78/713636778.db2.gz YEXJFKFUEUEFPJ-KSZLIROESA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970326934 713636780 /nfs/dbraw/zinc/63/67/80/713636780.db2.gz YEXJFKFUEUEFPJ-KSZLIROESA-N 1 3 343.515 2.662 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)CC1 ZINC000970337016 713639825 /nfs/dbraw/zinc/63/98/25/713639825.db2.gz JHNJKGJRYUKJCZ-LJQANCHMSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000970334369 713643930 /nfs/dbraw/zinc/64/39/30/713643930.db2.gz IBQDTZHUBLFBBC-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)CC1 ZINC000970335117 713644027 /nfs/dbraw/zinc/64/40/27/713644027.db2.gz NUODSKJTKMVTNM-UYAOXDASSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1C ZINC000970335580 713644715 /nfs/dbraw/zinc/64/47/15/713644715.db2.gz RRAOKQXPQRKYDA-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970335574 713644796 /nfs/dbraw/zinc/64/47/96/713644796.db2.gz ROTWYQQSVCNKHQ-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN([C@H](C)c2ccccc2)C1 ZINC000970371125 713669500 /nfs/dbraw/zinc/66/95/00/713669500.db2.gz BCKVNSXXTZEZPD-HZPDHXFCSA-N 1 3 329.488 2.526 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021274340 713726144 /nfs/dbraw/zinc/72/61/44/713726144.db2.gz SXTGACBJSVHNSV-BEZPCKGLSA-N 1 3 339.911 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021274340 713726146 /nfs/dbraw/zinc/72/61/46/713726146.db2.gz SXTGACBJSVHNSV-BEZPCKGLSA-N 1 3 339.911 2.725 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970483958 713744042 /nfs/dbraw/zinc/74/40/42/713744042.db2.gz NPFWMPKTGZEFDG-JKSUJKDBSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000970483958 713744044 /nfs/dbraw/zinc/74/40/44/713744044.db2.gz NPFWMPKTGZEFDG-JKSUJKDBSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC000970490776 713750993 /nfs/dbraw/zinc/75/09/93/713750993.db2.gz BEYHGKJLFMMCAW-HUUCEWRRSA-N 1 3 347.890 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001021380706 713852896 /nfs/dbraw/zinc/85/28/96/713852896.db2.gz QVNXHMUZBJIEMD-AVOUXACISA-N 1 3 347.425 2.535 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001021380706 713852900 /nfs/dbraw/zinc/85/29/00/713852900.db2.gz QVNXHMUZBJIEMD-AVOUXACISA-N 1 3 347.425 2.535 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970718228 713932185 /nfs/dbraw/zinc/93/21/85/713932185.db2.gz IDNOSNWTIQKUMT-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000970801269 714007156 /nfs/dbraw/zinc/00/71/56/714007156.db2.gz VQBIZLNUXLMITI-WOJBJXKFSA-N 1 3 343.515 2.602 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000970800426 714009328 /nfs/dbraw/zinc/00/93/28/714009328.db2.gz OBPSSVOFEBEHGH-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000970800426 714009331 /nfs/dbraw/zinc/00/93/31/714009331.db2.gz OBPSSVOFEBEHGH-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)[NH+]1CCCCC1 ZINC000970804690 714013881 /nfs/dbraw/zinc/01/38/81/714013881.db2.gz ZUTRVACPISHAPF-MSOLQXFVSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000980229041 717948115 /nfs/dbraw/zinc/94/81/15/717948115.db2.gz HVAYFKYYXKQNOW-YESZJQIVSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000980229041 717948117 /nfs/dbraw/zinc/94/81/17/717948117.db2.gz HVAYFKYYXKQNOW-YESZJQIVSA-N 1 3 346.519 2.914 20 0 EFADHO CC(C)c1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970870756 714089240 /nfs/dbraw/zinc/08/92/40/714089240.db2.gz VYCUIZWUCSJFIV-APWZRJJASA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970870756 714089241 /nfs/dbraw/zinc/08/92/41/714089241.db2.gz VYCUIZWUCSJFIV-APWZRJJASA-N 1 3 343.515 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970926750 714142458 /nfs/dbraw/zinc/14/24/58/714142458.db2.gz BQVJHUPNIVKEPZ-QFBILLFUSA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000970927843 714142958 /nfs/dbraw/zinc/14/29/58/714142958.db2.gz HUHPWBCDHSESJL-CRAIPNDOSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929400 714145888 /nfs/dbraw/zinc/14/58/88/714145888.db2.gz QVCZYFLYSIXUMC-CVEARBPZSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929659 714146570 /nfs/dbraw/zinc/14/65/70/714146570.db2.gz SBPRCRDEYRKDEB-GJZGRUSLSA-N 1 3 335.467 2.546 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@H+](CCC4CC4)CC[C@@H]32)C1 ZINC001021664226 714260348 /nfs/dbraw/zinc/26/03/48/714260348.db2.gz AGCGMLNQZWJJII-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@@H+](CCC4CC4)CC[C@@H]32)C1 ZINC001021664226 714260349 /nfs/dbraw/zinc/26/03/49/714260349.db2.gz AGCGMLNQZWJJII-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@H+](CCC4CC4)CC[C@H]32)C1 ZINC001021664234 714260522 /nfs/dbraw/zinc/26/05/22/714260522.db2.gz AGCGMLNQZWJJII-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@@H+](CCC4CC4)CC[C@H]32)C1 ZINC001021664234 714260526 /nfs/dbraw/zinc/26/05/26/714260526.db2.gz AGCGMLNQZWJJII-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@H+](CC4CCC4)CC[C@@H]32)C1 ZINC001021669911 714271362 /nfs/dbraw/zinc/27/13/62/714271362.db2.gz ICVQPSDKYMBNLL-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@@H+](CC4CCC4)CC[C@@H]32)C1 ZINC001021669911 714271364 /nfs/dbraw/zinc/27/13/64/714271364.db2.gz ICVQPSDKYMBNLL-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCF)C[C@H]3C2)c1 ZINC000980242669 717973020 /nfs/dbraw/zinc/97/30/20/717973020.db2.gz MJEFMYGXFHSDTQ-IPMKNSEASA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCF)C[C@H]3C2)c1 ZINC000980242669 717973022 /nfs/dbraw/zinc/97/30/22/717973022.db2.gz MJEFMYGXFHSDTQ-IPMKNSEASA-N 1 3 347.478 2.548 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC(C)(C)[NH3+])c1ccsc1 ZINC000891349294 714437234 /nfs/dbraw/zinc/43/72/34/714437234.db2.gz SSGRTFHBZAFOTI-AWEZNQCLSA-N 1 3 326.510 2.558 20 0 EFADHO CCCN1CCC([NH2+]Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000063903393 714452916 /nfs/dbraw/zinc/45/29/16/714452916.db2.gz SCWXLIQELREXKU-UHFFFAOYSA-N 1 3 348.487 2.819 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC000971200151 714460929 /nfs/dbraw/zinc/46/09/29/714460929.db2.gz DRZHUVPUIGBKCF-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC000971200151 714460930 /nfs/dbraw/zinc/46/09/30/714460930.db2.gz DRZHUVPUIGBKCF-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200268 714461232 /nfs/dbraw/zinc/46/12/32/714461232.db2.gz GAWFBBQSHGOVTR-WOJBJXKFSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200268 714461233 /nfs/dbraw/zinc/46/12/33/714461233.db2.gz GAWFBBQSHGOVTR-WOJBJXKFSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200266 714461268 /nfs/dbraw/zinc/46/12/68/714461268.db2.gz GAWFBBQSHGOVTR-VQTJNVASSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200266 714461270 /nfs/dbraw/zinc/46/12/70/714461270.db2.gz GAWFBBQSHGOVTR-VQTJNVASSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205034 714464668 /nfs/dbraw/zinc/46/46/68/714464668.db2.gz SBSDANZKRIANQK-SJLPKXTDSA-N 1 3 341.455 2.560 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205034 714464669 /nfs/dbraw/zinc/46/46/69/714464669.db2.gz SBSDANZKRIANQK-SJLPKXTDSA-N 1 3 341.455 2.560 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205033 714464709 /nfs/dbraw/zinc/46/47/09/714464709.db2.gz SBSDANZKRIANQK-FUHWJXTLSA-N 1 3 341.455 2.560 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205033 714464711 /nfs/dbraw/zinc/46/47/11/714464711.db2.gz SBSDANZKRIANQK-FUHWJXTLSA-N 1 3 341.455 2.560 20 0 EFADHO C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000891443417 714699330 /nfs/dbraw/zinc/69/93/30/714699330.db2.gz ZXDXIUIQGSCRFB-IBGZPJMESA-N 1 3 346.519 2.512 20 0 EFADHO C[N@H+](CC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540450 714700189 /nfs/dbraw/zinc/70/01/89/714700189.db2.gz RSLDJXYKOULUDQ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540450 714700190 /nfs/dbraw/zinc/70/01/90/714700190.db2.gz RSLDJXYKOULUDQ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CC[NH2+]CCC23CCC3)N(C)C)cc1 ZINC000891445402 714707246 /nfs/dbraw/zinc/70/72/46/714707246.db2.gz KEXOTEKYOSXFQI-GOSISDBHSA-N 1 3 344.503 2.525 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC000971560301 714707841 /nfs/dbraw/zinc/70/78/41/714707841.db2.gz DQTUOKDUKGUHCB-ATZDWAIDSA-N 1 3 347.478 2.529 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC000971560301 714707842 /nfs/dbraw/zinc/70/78/42/714707842.db2.gz DQTUOKDUKGUHCB-ATZDWAIDSA-N 1 3 347.478 2.529 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000971568145 714711243 /nfs/dbraw/zinc/71/12/43/714711243.db2.gz WGYNHFJZIIMHEW-GBESFXJTSA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000971568145 714711244 /nfs/dbraw/zinc/71/12/44/714711244.db2.gz WGYNHFJZIIMHEW-GBESFXJTSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)N(C)C)cc1 ZINC000891447092 714711292 /nfs/dbraw/zinc/71/12/92/714711292.db2.gz UERQGNPIJAOKEE-QZTJIDSGSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001022070006 714719804 /nfs/dbraw/zinc/71/98/04/714719804.db2.gz QFRWQCIWWPEJKB-CAOSSQGBSA-N 1 3 343.462 2.531 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022070712 714722483 /nfs/dbraw/zinc/72/24/83/714722483.db2.gz YYPXMYIEDVQKSM-CEXWTWQISA-N 1 3 333.520 2.987 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001022109278 714753745 /nfs/dbraw/zinc/75/37/45/714753745.db2.gz KKWXWAGNLDLNHN-MJQMVNBJSA-N 1 3 347.478 2.601 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001022109278 714753746 /nfs/dbraw/zinc/75/37/46/714753746.db2.gz KKWXWAGNLDLNHN-MJQMVNBJSA-N 1 3 347.478 2.601 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccsc1 ZINC000947725575 718001319 /nfs/dbraw/zinc/00/13/19/718001319.db2.gz AWPWGNYJVWDFNL-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccsc1 ZINC000947725575 718001324 /nfs/dbraw/zinc/00/13/24/718001324.db2.gz AWPWGNYJVWDFNL-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639790 714795211 /nfs/dbraw/zinc/79/52/11/714795211.db2.gz BPEVKFJMMKFRBS-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639790 714795213 /nfs/dbraw/zinc/79/52/13/714795213.db2.gz BPEVKFJMMKFRBS-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640545 714797356 /nfs/dbraw/zinc/79/73/56/714797356.db2.gz GAGBYZUTDLNXEB-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640545 714797358 /nfs/dbraw/zinc/79/73/58/714797358.db2.gz GAGBYZUTDLNXEB-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)([NH3+])CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000891559303 714824128 /nfs/dbraw/zinc/82/41/28/714824128.db2.gz DMFCNKRFBRWKJS-QGZVFWFLSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674375 714873325 /nfs/dbraw/zinc/87/33/25/714873325.db2.gz RHZMQBCRLFOIIL-CRAIPNDOSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674375 714873327 /nfs/dbraw/zinc/87/33/27/714873327.db2.gz RHZMQBCRLFOIIL-CRAIPNDOSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674378 714873484 /nfs/dbraw/zinc/87/34/84/714873484.db2.gz RHZMQBCRLFOIIL-YJBOKZPZSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674378 714873487 /nfs/dbraw/zinc/87/34/87/714873487.db2.gz RHZMQBCRLFOIIL-YJBOKZPZSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000971675590 714875801 /nfs/dbraw/zinc/87/58/01/714875801.db2.gz ZLKBSXHTSFESBI-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000971675590 714875803 /nfs/dbraw/zinc/87/58/03/714875803.db2.gz ZLKBSXHTSFESBI-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971680290 714876087 /nfs/dbraw/zinc/87/60/87/714876087.db2.gz YLQHVUDMILRHTA-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971680290 714876089 /nfs/dbraw/zinc/87/60/89/714876089.db2.gz YLQHVUDMILRHTA-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971680297 714876094 /nfs/dbraw/zinc/87/60/94/714876094.db2.gz YLQHVUDMILRHTA-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971680297 714876096 /nfs/dbraw/zinc/87/60/96/714876096.db2.gz YLQHVUDMILRHTA-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971680294 714876250 /nfs/dbraw/zinc/87/62/50/714876250.db2.gz YLQHVUDMILRHTA-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971680294 714876254 /nfs/dbraw/zinc/87/62/54/714876254.db2.gz YLQHVUDMILRHTA-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679892 714877743 /nfs/dbraw/zinc/87/77/43/714877743.db2.gz XCKHQUNDHMAQLU-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679892 714877745 /nfs/dbraw/zinc/87/77/45/714877745.db2.gz XCKHQUNDHMAQLU-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681431 714878318 /nfs/dbraw/zinc/87/83/18/714878318.db2.gz CTKNLHJOYMWBBT-MSOLQXFVSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681431 714878320 /nfs/dbraw/zinc/87/83/20/714878320.db2.gz CTKNLHJOYMWBBT-MSOLQXFVSA-N 1 3 349.906 2.713 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681057 714879656 /nfs/dbraw/zinc/87/96/56/714879656.db2.gz BEAFYHREIZRRKN-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681057 714879657 /nfs/dbraw/zinc/87/96/57/714879657.db2.gz BEAFYHREIZRRKN-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681881 714879994 /nfs/dbraw/zinc/87/99/94/714879994.db2.gz DXNQRQFYYMGSDU-OALUTQOASA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681881 714879995 /nfs/dbraw/zinc/87/99/95/714879995.db2.gz DXNQRQFYYMGSDU-OALUTQOASA-N 1 3 347.478 2.507 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000971687999 714882915 /nfs/dbraw/zinc/88/29/15/714882915.db2.gz SDXCNYLYFVOAQM-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000971687999 714882917 /nfs/dbraw/zinc/88/29/17/714882917.db2.gz SDXCNYLYFVOAQM-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC000971687903 714883040 /nfs/dbraw/zinc/88/30/40/714883040.db2.gz PONYQCLLKAMMSV-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC000971687903 714883041 /nfs/dbraw/zinc/88/30/41/714883041.db2.gz PONYQCLLKAMMSV-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688175 714883464 /nfs/dbraw/zinc/88/34/64/714883464.db2.gz SGMDIKWJDOCBFI-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688175 714883466 /nfs/dbraw/zinc/88/34/66/714883466.db2.gz SGMDIKWJDOCBFI-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1F ZINC000971685704 714885167 /nfs/dbraw/zinc/88/51/67/714885167.db2.gz OEVAQAASERTNJN-IEBWSBKVSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686555 714886169 /nfs/dbraw/zinc/88/61/69/714886169.db2.gz SLBDRSNZBWKINV-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686555 714886172 /nfs/dbraw/zinc/88/61/72/714886172.db2.gz SLBDRSNZBWKINV-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(C)C1 ZINC000891648945 714899118 /nfs/dbraw/zinc/89/91/18/714899118.db2.gz VVPUELJRDBYGPU-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971714801 714903637 /nfs/dbraw/zinc/90/36/37/714903637.db2.gz XSMFSUURGJBQIT-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971714801 714903639 /nfs/dbraw/zinc/90/36/39/714903639.db2.gz XSMFSUURGJBQIT-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715136 714904165 /nfs/dbraw/zinc/90/41/65/714904165.db2.gz DYYKMTJYDHZTEE-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715136 714904170 /nfs/dbraw/zinc/90/41/70/714904170.db2.gz DYYKMTJYDHZTEE-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971714803 714904321 /nfs/dbraw/zinc/90/43/21/714904321.db2.gz XSMFSUURGJBQIT-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971714803 714904324 /nfs/dbraw/zinc/90/43/24/714904324.db2.gz XSMFSUURGJBQIT-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971734857 714921334 /nfs/dbraw/zinc/92/13/34/714921334.db2.gz HJTLGYGMBRMHDC-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971734857 714921338 /nfs/dbraw/zinc/92/13/38/714921338.db2.gz HJTLGYGMBRMHDC-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737794 714923048 /nfs/dbraw/zinc/92/30/48/714923048.db2.gz ZVIDCVPPTOAUSM-OALUTQOASA-N 1 3 349.494 2.753 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000971777558 714956246 /nfs/dbraw/zinc/95/62/46/714956246.db2.gz FSSFYPADFLRYOQ-QZTJIDSGSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000971777558 714956249 /nfs/dbraw/zinc/95/62/49/714956249.db2.gz FSSFYPADFLRYOQ-QZTJIDSGSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000971779440 714957565 /nfs/dbraw/zinc/95/75/65/714957565.db2.gz RGDVYVZICRKHES-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000971779440 714957567 /nfs/dbraw/zinc/95/75/67/714957567.db2.gz RGDVYVZICRKHES-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022278242 714961214 /nfs/dbraw/zinc/96/12/14/714961214.db2.gz IOJVPAWYNBPIRE-NTDBWNAOSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022278242 714961216 /nfs/dbraw/zinc/96/12/16/714961216.db2.gz IOJVPAWYNBPIRE-NTDBWNAOSA-N 1 3 345.462 2.579 20 0 EFADHO CN1CC[C@H](NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000891722526 714976370 /nfs/dbraw/zinc/97/63/70/714976370.db2.gz DYSGYGZSXAZHBB-OKZBNKHCSA-N 1 3 344.503 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cc1F ZINC000971800711 714989834 /nfs/dbraw/zinc/98/98/34/714989834.db2.gz LLAMCMCQILOFOI-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cc1F ZINC000971800711 714989837 /nfs/dbraw/zinc/98/98/37/714989837.db2.gz LLAMCMCQILOFOI-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CCCN(C)C2)c1 ZINC000891845970 715058925 /nfs/dbraw/zinc/05/89/25/715058925.db2.gz HNBKPKBSJWMJED-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)c1 ZINC000891845971 715059073 /nfs/dbraw/zinc/05/90/73/715059073.db2.gz HNBKPKBSJWMJED-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001022648506 715274306 /nfs/dbraw/zinc/27/43/06/715274306.db2.gz WAGYSLHKDAKABX-CWRNSKLLSA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001027044834 715341749 /nfs/dbraw/zinc/34/17/49/715341749.db2.gz GKYOUYUDKVUFMF-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCC(F)(F)F ZINC000947493178 715360819 /nfs/dbraw/zinc/36/08/19/715360819.db2.gz QGMONJCOBNKFQG-KGLIPLIRSA-N 1 3 347.425 2.536 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974977265 715391563 /nfs/dbraw/zinc/39/15/63/715391563.db2.gz WZADRZHDKDAFMM-WDSOQIARSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974977265 715391569 /nfs/dbraw/zinc/39/15/69/715391569.db2.gz WZADRZHDKDAFMM-WDSOQIARSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001022710433 715397337 /nfs/dbraw/zinc/39/73/37/715397337.db2.gz HQHNEZURXVHGMB-YTQUADARSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001022712279 715408015 /nfs/dbraw/zinc/40/80/15/715408015.db2.gz OLBVBWCISUPPGW-AFAVFJNCSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC001022711710 715409075 /nfs/dbraw/zinc/40/90/75/715409075.db2.gz CRXDLKAOXCIPKD-NONVJHHQSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001022712023 715410006 /nfs/dbraw/zinc/41/00/06/715410006.db2.gz IMPFTFOEXYVEGI-BHYGNILZSA-N 1 3 349.906 2.604 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001027069430 715410227 /nfs/dbraw/zinc/41/02/27/715410227.db2.gz SUJLKIBGSBBYKP-JSGCOSHPSA-N 1 3 343.924 2.680 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001022712036 715410280 /nfs/dbraw/zinc/41/02/80/715410280.db2.gz IXEGUVFCKPMORK-YTQUADARSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001022712035 715410365 /nfs/dbraw/zinc/41/03/65/715410365.db2.gz IXEGUVFCKPMORK-QRQLOZEOSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)C1 ZINC001022713273 715412402 /nfs/dbraw/zinc/41/24/02/715412402.db2.gz JRIKPKBTELGQLB-PHXBYCTMSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001027062836 715414789 /nfs/dbraw/zinc/41/47/89/715414789.db2.gz COQISGKIXCVYDQ-QZTJIDSGSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001027063063 715415189 /nfs/dbraw/zinc/41/51/89/715415189.db2.gz GVJHJIVKLJBULO-CVEARBPZSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001027063470 715416060 /nfs/dbraw/zinc/41/60/60/715416060.db2.gz LOBGQTKXJUMALZ-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063983 715417597 /nfs/dbraw/zinc/41/75/97/715417597.db2.gz WRWQTASQTAFLKH-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027064520 715417992 /nfs/dbraw/zinc/41/79/92/715417992.db2.gz GKWDKFSYGBFPEU-PXNSSMCTSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001027064136 715418034 /nfs/dbraw/zinc/41/80/34/715418034.db2.gz YDFCXIKAOZRJLN-LPHOPBHVSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001027064137 715418451 /nfs/dbraw/zinc/41/84/51/715418451.db2.gz YDFCXIKAOZRJLN-QFBILLFUSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001027065203 715419615 /nfs/dbraw/zinc/41/96/15/715419615.db2.gz SRJWHVSALMCMGK-HKUYNNGSSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001027065206 715419789 /nfs/dbraw/zinc/41/97/89/715419789.db2.gz SRJWHVSALMCMGK-PKOBYXMFSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001022713872 715419781 /nfs/dbraw/zinc/41/97/81/715419781.db2.gz NAEGCABSYULWRR-DTDBQYNISA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027065368 715421005 /nfs/dbraw/zinc/42/10/05/715421005.db2.gz XGIAPSZYFLODOZ-PXNSSMCTSA-N 1 3 343.515 2.529 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027065367 715421322 /nfs/dbraw/zinc/42/13/22/715421322.db2.gz XGIAPSZYFLODOZ-FXAWDEMLSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001027065405 715421543 /nfs/dbraw/zinc/42/15/43/715421543.db2.gz YATQOBOGPNKSDW-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001022714700 715421696 /nfs/dbraw/zinc/42/16/96/715421696.db2.gz YWRHOWXUBDPXPI-LULLPPNCSA-N 1 3 343.515 2.943 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001022716790 715434515 /nfs/dbraw/zinc/43/45/15/715434515.db2.gz IHNQIJZJMGKWQN-HDICACEKSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001022717057 715435005 /nfs/dbraw/zinc/43/50/05/715435005.db2.gz OHYBIZPINNJHGY-KDURUIRLSA-N 1 3 343.515 2.718 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001022717171 715435564 /nfs/dbraw/zinc/43/55/64/715435564.db2.gz RWMFNAWQBLUGLJ-HDICACEKSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001022721513 715445485 /nfs/dbraw/zinc/44/54/85/715445485.db2.gz XQCNGGGVMKFBMC-QMCVQRASSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001022721513 715445486 /nfs/dbraw/zinc/44/54/86/715445486.db2.gz XQCNGGGVMKFBMC-QMCVQRASSA-N 1 3 349.906 2.583 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N[C@H]2CN(CCCF)CC2(C)C)cc1 ZINC000975061046 715463549 /nfs/dbraw/zinc/46/35/49/715463549.db2.gz KKBOTYXBCMAKSX-SFHVURJKSA-N 1 3 349.494 2.591 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331253 715466111 /nfs/dbraw/zinc/46/61/11/715466111.db2.gz DTRXOPKTNZXHOR-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331253 715466113 /nfs/dbraw/zinc/46/61/13/715466113.db2.gz DTRXOPKTNZXHOR-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001027334769 715467940 /nfs/dbraw/zinc/46/79/40/715467940.db2.gz URUNWFFWNBGRMW-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001027334769 715467944 /nfs/dbraw/zinc/46/79/44/715467944.db2.gz URUNWFFWNBGRMW-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332915 715470771 /nfs/dbraw/zinc/47/07/71/715470771.db2.gz RXKZWZUMEVEPPV-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332915 715470774 /nfs/dbraw/zinc/47/07/74/715470774.db2.gz RXKZWZUMEVEPPV-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000972178278 715482341 /nfs/dbraw/zinc/48/23/41/715482341.db2.gz XEPMTLOSIMBUGL-IEZWGBDMSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC000972178278 715482343 /nfs/dbraw/zinc/48/23/43/715482343.db2.gz XEPMTLOSIMBUGL-IEZWGBDMSA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001027069895 715493500 /nfs/dbraw/zinc/49/35/00/715493500.db2.gz DMKWMFKOQOIVOE-RDJZCZTQSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001027070147 715493941 /nfs/dbraw/zinc/49/39/41/715493941.db2.gz KJXDUKSGGXDYPP-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC001027089722 715541848 /nfs/dbraw/zinc/54/18/48/715541848.db2.gz CAEVSZBJOFIAMG-KBPBESRZSA-N 1 3 346.862 2.805 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(Cl)c1 ZINC001027091853 715546687 /nfs/dbraw/zinc/54/66/87/715546687.db2.gz VWBQSNPUPPDFKJ-CQSZACIVSA-N 1 3 346.862 2.552 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972258534 715601496 /nfs/dbraw/zinc/60/14/96/715601496.db2.gz PBLCNGXYIXYLPX-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972258534 715601498 /nfs/dbraw/zinc/60/14/98/715601498.db2.gz PBLCNGXYIXYLPX-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972264809 715610730 /nfs/dbraw/zinc/61/07/30/715610730.db2.gz HSEOXQCWWVYBIX-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000972264809 715610734 /nfs/dbraw/zinc/61/07/34/715610734.db2.gz HSEOXQCWWVYBIX-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264751 715610925 /nfs/dbraw/zinc/61/09/25/715610925.db2.gz HJTLGYGMBRMHDC-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264751 715610927 /nfs/dbraw/zinc/61/09/27/715610927.db2.gz HJTLGYGMBRMHDC-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268828 715616080 /nfs/dbraw/zinc/61/60/80/715616080.db2.gz ZVIDCVPPTOAUSM-RBUKOAKNSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)s1 ZINC000972331185 715700329 /nfs/dbraw/zinc/70/03/29/715700329.db2.gz IRWJDRADKACDAW-RDTXWAMCSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)s1 ZINC000972331185 715700331 /nfs/dbraw/zinc/70/03/31/715700331.db2.gz IRWJDRADKACDAW-RDTXWAMCSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332023 715702183 /nfs/dbraw/zinc/70/21/83/715702183.db2.gz ACZHCUDRCLRANM-QAPCUYQASA-N 1 3 349.906 2.715 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332023 715702185 /nfs/dbraw/zinc/70/21/85/715702185.db2.gz ACZHCUDRCLRANM-QAPCUYQASA-N 1 3 349.906 2.715 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000972331377 715702864 /nfs/dbraw/zinc/70/28/64/715702864.db2.gz KHRQHWPDHBEPBA-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000972331377 715702867 /nfs/dbraw/zinc/70/28/67/715702867.db2.gz KHRQHWPDHBEPBA-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO C[N@H+](CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410688 715703411 /nfs/dbraw/zinc/70/34/11/715703411.db2.gz GOYMLVKBZFYUFL-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410688 715703414 /nfs/dbraw/zinc/70/34/14/715703414.db2.gz GOYMLVKBZFYUFL-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331453 715704345 /nfs/dbraw/zinc/70/43/45/715704345.db2.gz KZDMIVVRTAIJQH-APWZRJJASA-N 1 3 347.478 2.673 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331453 715704352 /nfs/dbraw/zinc/70/43/52/715704352.db2.gz KZDMIVVRTAIJQH-APWZRJJASA-N 1 3 347.478 2.673 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038240749 715706647 /nfs/dbraw/zinc/70/66/47/715706647.db2.gz QTOXMGWDLCIXRS-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038240749 715706653 /nfs/dbraw/zinc/70/66/53/715706653.db2.gz QTOXMGWDLCIXRS-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334163 715707445 /nfs/dbraw/zinc/70/74/45/715707445.db2.gz DZJXCTDXVATXJE-YJBOKZPZSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334163 715707450 /nfs/dbraw/zinc/70/74/50/715707450.db2.gz DZJXCTDXVATXJE-YJBOKZPZSA-N 1 3 349.906 2.715 20 0 EFADHO C[N@H+](CC1CCC1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334205 715707771 /nfs/dbraw/zinc/70/77/71/715707771.db2.gz FUTPVYXETPMTDJ-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CCC1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334205 715707776 /nfs/dbraw/zinc/70/77/76/715707776.db2.gz FUTPVYXETPMTDJ-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972334753 715708612 /nfs/dbraw/zinc/70/86/12/715708612.db2.gz JEXMAFFVOFXVLT-KXBFYZLASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972334753 715708615 /nfs/dbraw/zinc/70/86/15/715708615.db2.gz JEXMAFFVOFXVLT-KXBFYZLASA-N 1 3 347.478 2.509 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334730 715708776 /nfs/dbraw/zinc/70/87/76/715708776.db2.gz IVXPPWNBVVDEIW-QFBILLFUSA-N 1 3 347.478 2.531 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334730 715708780 /nfs/dbraw/zinc/70/87/80/715708780.db2.gz IVXPPWNBVVDEIW-QFBILLFUSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972334603 715708806 /nfs/dbraw/zinc/70/88/06/715708806.db2.gz INGODBWYFOGUMB-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972334603 715708810 /nfs/dbraw/zinc/70/88/10/715708810.db2.gz INGODBWYFOGUMB-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333294 715709586 /nfs/dbraw/zinc/70/95/86/715709586.db2.gz VICKPAGSTMXGMX-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333294 715709588 /nfs/dbraw/zinc/70/95/88/715709588.db2.gz VICKPAGSTMXGMX-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338150 715715155 /nfs/dbraw/zinc/71/51/55/715715155.db2.gz DRDDAEFCPAUCFF-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338150 715715158 /nfs/dbraw/zinc/71/51/58/715715158.db2.gz DRDDAEFCPAUCFF-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001027416703 715729141 /nfs/dbraw/zinc/72/91/41/715729141.db2.gz JZTXJUDSUHRCKY-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001027416703 715729145 /nfs/dbraw/zinc/72/91/45/715729145.db2.gz JZTXJUDSUHRCKY-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001027416751 715729363 /nfs/dbraw/zinc/72/93/63/715729363.db2.gz LJWHNWDURGVSHK-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001027416751 715729367 /nfs/dbraw/zinc/72/93/67/715729367.db2.gz LJWHNWDURGVSHK-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C1 ZINC001022806887 715729447 /nfs/dbraw/zinc/72/94/47/715729447.db2.gz CTOJOVHKLLYFAP-JZXOWHBKSA-N 1 3 349.544 2.790 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027419483 715736853 /nfs/dbraw/zinc/73/68/53/715736853.db2.gz RBFLBFXBLXGSLX-FGTMMUONSA-N 1 3 349.544 2.901 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027419483 715736855 /nfs/dbraw/zinc/73/68/55/715736855.db2.gz RBFLBFXBLXGSLX-FGTMMUONSA-N 1 3 349.544 2.901 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000972354599 715741340 /nfs/dbraw/zinc/74/13/40/715741340.db2.gz NUNAYMXAASMNRN-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000972354599 715741345 /nfs/dbraw/zinc/74/13/45/715741345.db2.gz NUNAYMXAASMNRN-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000972354824 715741696 /nfs/dbraw/zinc/74/16/96/715741696.db2.gz PLJWPXHULJFMGS-ROUUACIJSA-N 1 3 335.467 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000972354824 715741701 /nfs/dbraw/zinc/74/17/01/715741701.db2.gz PLJWPXHULJFMGS-ROUUACIJSA-N 1 3 335.467 2.529 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC1 ZINC001027440455 715808547 /nfs/dbraw/zinc/80/85/47/715808547.db2.gz GRWFFMIETINBKJ-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001027440455 715808552 /nfs/dbraw/zinc/80/85/52/715808552.db2.gz GRWFFMIETINBKJ-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001027441303 715811044 /nfs/dbraw/zinc/81/10/44/715811044.db2.gz UIOUKWWXPKFGJS-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001027441303 715811052 /nfs/dbraw/zinc/81/10/52/715811052.db2.gz UIOUKWWXPKFGJS-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001027441357 715811246 /nfs/dbraw/zinc/81/12/46/715811246.db2.gz FDCQFGOUELYNQR-SFHVURJKSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001027441357 715811248 /nfs/dbraw/zinc/81/12/48/715811248.db2.gz FDCQFGOUELYNQR-SFHVURJKSA-N 1 3 349.544 2.964 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001027442595 715823605 /nfs/dbraw/zinc/82/36/05/715823605.db2.gz YSPXMYQSTAULCG-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001027442595 715823609 /nfs/dbraw/zinc/82/36/09/715823609.db2.gz YSPXMYQSTAULCG-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001027442592 715823973 /nfs/dbraw/zinc/82/39/73/715823973.db2.gz YRLZXHAMBWCNCF-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001027442592 715823975 /nfs/dbraw/zinc/82/39/75/715823975.db2.gz YRLZXHAMBWCNCF-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027452427 715851775 /nfs/dbraw/zinc/85/17/75/715851775.db2.gz OKAKSTZNXBCEIK-HOTGVXAUSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027452427 715851780 /nfs/dbraw/zinc/85/17/80/715851780.db2.gz OKAKSTZNXBCEIK-HOTGVXAUSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027452585 715852571 /nfs/dbraw/zinc/85/25/71/715852571.db2.gz RGAWIDWDSTXPEP-OALUTQOASA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027452585 715852577 /nfs/dbraw/zinc/85/25/77/715852577.db2.gz RGAWIDWDSTXPEP-OALUTQOASA-N 1 3 331.504 2.696 20 0 EFADHO C[N@H+](CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972425230 715872725 /nfs/dbraw/zinc/87/27/25/715872725.db2.gz FVQOXQOAVJFBMF-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCC1CCCCCC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972425230 715872729 /nfs/dbraw/zinc/87/27/29/715872729.db2.gz FVQOXQOAVJFBMF-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCCc2ccccc21 ZINC000972424438 715875029 /nfs/dbraw/zinc/87/50/29/715875029.db2.gz BBXAWZOYKDGYOW-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCCc2ccccc21 ZINC000972424438 715875032 /nfs/dbraw/zinc/87/50/32/715875032.db2.gz BBXAWZOYKDGYOW-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027461491 715892350 /nfs/dbraw/zinc/89/23/50/715892350.db2.gz LPKVDYSFRVHBLQ-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027461491 715892354 /nfs/dbraw/zinc/89/23/54/715892354.db2.gz LPKVDYSFRVHBLQ-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217642 715921415 /nfs/dbraw/zinc/92/14/15/715921415.db2.gz NNQKDDMFVMOOEH-ZWKOTPCHSA-N 1 3 329.488 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001027235779 715949355 /nfs/dbraw/zinc/94/93/55/715949355.db2.gz VHIGGSQBPBDZNG-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001027235743 715949669 /nfs/dbraw/zinc/94/96/69/715949669.db2.gz UMXJAMHXERBAQX-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1)C1CCC1 ZINC000985468567 724441831 /nfs/dbraw/zinc/44/18/31/724441831.db2.gz WUORQBPCQPMDPN-UHFFFAOYSA-N 1 3 335.517 2.655 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1)C1CCC1 ZINC000985468567 724441833 /nfs/dbraw/zinc/44/18/33/724441833.db2.gz WUORQBPCQPMDPN-UHFFFAOYSA-N 1 3 335.517 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CC3CC(C)(C)C3)CC2)CCC1 ZINC000985468972 724442414 /nfs/dbraw/zinc/44/24/14/724442414.db2.gz CMUUDTORECCGRQ-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CC3CC(C)(C)C3)CC2)CCC1 ZINC000985468972 724442416 /nfs/dbraw/zinc/44/24/16/724442416.db2.gz CMUUDTORECCGRQ-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893492529 716027257 /nfs/dbraw/zinc/02/72/57/716027257.db2.gz QASBOLJEZOMGBD-BTRQGYIVSA-N 1 3 348.535 2.662 20 0 EFADHO CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCN(C)C1 ZINC000893492113 716033187 /nfs/dbraw/zinc/03/31/87/716033187.db2.gz MXBBVOSWGMZKFA-ABHNRTSZSA-N 1 3 336.524 2.519 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022975584 716041576 /nfs/dbraw/zinc/04/15/76/716041576.db2.gz OYZFFLQWWFATHO-DZJNRPSUSA-N 1 3 347.478 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001029001785 722620181 /nfs/dbraw/zinc/62/01/81/722620181.db2.gz CFMFWTRXIPXZQH-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001029001785 722620184 /nfs/dbraw/zinc/62/01/84/722620184.db2.gz CFMFWTRXIPXZQH-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1C ZINC001023125102 716163341 /nfs/dbraw/zinc/16/33/41/716163341.db2.gz MXSFWXSDIPRCPL-QGZVKYPTSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1C ZINC001023125099 716163559 /nfs/dbraw/zinc/16/35/59/716163559.db2.gz MXSFWXSDIPRCPL-LFGUQSLTSA-N 1 3 343.515 2.913 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001023128938 716165550 /nfs/dbraw/zinc/16/55/50/716165550.db2.gz ZLYAROXOCAOZBS-YIOZNXECSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001023128931 716165592 /nfs/dbraw/zinc/16/55/92/716165592.db2.gz ZBTQUTZETHKMSK-YSHGAJCASA-N 1 3 329.488 2.859 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001023130968 716166264 /nfs/dbraw/zinc/16/62/64/716166264.db2.gz PZEHZOHOMFQAMH-DUBPFDJUSA-N 1 3 335.536 2.924 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023130939 716166269 /nfs/dbraw/zinc/16/62/69/716166269.db2.gz OKLXPVHSLNHFAM-OTWHNJEPSA-N 1 3 333.520 2.988 20 0 EFADHO O[C@@H](CNCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccco1 ZINC000128074450 716179279 /nfs/dbraw/zinc/17/92/79/716179279.db2.gz RVIOILFDIHNDJK-SFHVURJKSA-N 1 3 330.428 2.577 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001027629055 716201940 /nfs/dbraw/zinc/20/19/40/716201940.db2.gz RJOLROPMDUUZGA-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001027629055 716201943 /nfs/dbraw/zinc/20/19/43/716201943.db2.gz RJOLROPMDUUZGA-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC000977447499 716223912 /nfs/dbraw/zinc/22/39/12/716223912.db2.gz FASXJNMXTDKXTR-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977447499 716223914 /nfs/dbraw/zinc/22/39/14/716223914.db2.gz FASXJNMXTDKXTR-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458129 716240187 /nfs/dbraw/zinc/24/01/87/716240187.db2.gz AQRYDKVGMNJSAA-RTBURBONSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977458129 716240189 /nfs/dbraw/zinc/24/01/89/716240189.db2.gz AQRYDKVGMNJSAA-RTBURBONSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](c1ccccc1)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977494365 716265312 /nfs/dbraw/zinc/26/53/12/716265312.db2.gz CDJKQBXVZGDANN-AEFFLSMTSA-N 1 3 341.499 2.670 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027652250 716337488 /nfs/dbraw/zinc/33/74/88/716337488.db2.gz PPZROECBAUIDCU-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027652250 716337494 /nfs/dbraw/zinc/33/74/94/716337494.db2.gz PPZROECBAUIDCU-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594604 716375505 /nfs/dbraw/zinc/37/55/05/716375505.db2.gz FGNHZLLNBGIVCZ-NVXWUHKLSA-N 1 3 349.544 2.643 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594604 716375507 /nfs/dbraw/zinc/37/55/07/716375507.db2.gz FGNHZLLNBGIVCZ-NVXWUHKLSA-N 1 3 349.544 2.643 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001023380562 716399965 /nfs/dbraw/zinc/39/99/65/716399965.db2.gz BZXCAHQCWUHCMA-RYQLBKOJSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001023380562 716399969 /nfs/dbraw/zinc/39/99/69/716399969.db2.gz BZXCAHQCWUHCMA-RYQLBKOJSA-N 1 3 349.544 2.807 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCC3CC3)CC2(C)C)c1 ZINC000977637513 716416138 /nfs/dbraw/zinc/41/61/38/716416138.db2.gz GKSNFSQGCNOXFJ-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)CC2(C)C)c1 ZINC000977637513 716416139 /nfs/dbraw/zinc/41/61/39/716416139.db2.gz GKSNFSQGCNOXFJ-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000977622149 716422909 /nfs/dbraw/zinc/42/29/09/716422909.db2.gz PJDBJYBICCNRRZ-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000977622149 716422911 /nfs/dbraw/zinc/42/29/11/716422911.db2.gz PJDBJYBICCNRRZ-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@H+](CC2CC2)CC1(C)C ZINC000977622153 716422975 /nfs/dbraw/zinc/42/29/75/716422975.db2.gz PJDBJYBICCNRRZ-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[N@@H+](CC2CC2)CC1(C)C ZINC000977622153 716422976 /nfs/dbraw/zinc/42/29/76/716422976.db2.gz PJDBJYBICCNRRZ-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001023402182 716423170 /nfs/dbraw/zinc/42/31/70/716423170.db2.gz HVGZEQWBDOLESY-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001023402182 716423174 /nfs/dbraw/zinc/42/31/74/716423174.db2.gz HVGZEQWBDOLESY-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001023402184 716423615 /nfs/dbraw/zinc/42/36/15/716423615.db2.gz HVGZEQWBDOLESY-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccsc2)C1 ZINC001023402184 716423618 /nfs/dbraw/zinc/42/36/18/716423618.db2.gz HVGZEQWBDOLESY-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793970 716439699 /nfs/dbraw/zinc/43/96/99/716439699.db2.gz DGPADJXTPCOQDC-OKYOBFRVSA-N 1 3 333.520 2.510 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793970 716439702 /nfs/dbraw/zinc/43/97/02/716439702.db2.gz DGPADJXTPCOQDC-OKYOBFRVSA-N 1 3 333.520 2.510 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555086 716511938 /nfs/dbraw/zinc/51/19/38/716511938.db2.gz CNIJOVXTFZMGQS-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555568 716518752 /nfs/dbraw/zinc/51/87/52/716518752.db2.gz OOFGWGVKEFFKDI-QGZVFWFLSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027562554 716590299 /nfs/dbraw/zinc/59/02/99/716590299.db2.gz RGAWIDWDSTXPEP-RBUKOAKNSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027562554 716590301 /nfs/dbraw/zinc/59/03/01/716590301.db2.gz RGAWIDWDSTXPEP-RBUKOAKNSA-N 1 3 331.504 2.696 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000978946850 716593584 /nfs/dbraw/zinc/59/35/84/716593584.db2.gz DURJPNVOEYAJSU-HAGHYFMRSA-N 1 3 347.547 2.901 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000978946850 716593588 /nfs/dbraw/zinc/59/35/88/716593588.db2.gz DURJPNVOEYAJSU-HAGHYFMRSA-N 1 3 347.547 2.901 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000978953567 716599898 /nfs/dbraw/zinc/59/98/98/716599898.db2.gz VGUFSPATEMCXIZ-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000978953567 716599902 /nfs/dbraw/zinc/59/99/02/716599902.db2.gz VGUFSPATEMCXIZ-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575691 716704701 /nfs/dbraw/zinc/70/47/01/716704701.db2.gz CFPWTFDFWSDWAZ-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575691 716704704 /nfs/dbraw/zinc/70/47/04/716704704.db2.gz CFPWTFDFWSDWAZ-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086962 716708918 /nfs/dbraw/zinc/70/89/18/716708918.db2.gz JLSWERRILSNFGC-XLNTUCKNSA-N 1 3 343.515 2.702 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086962 716708921 /nfs/dbraw/zinc/70/89/21/716708921.db2.gz JLSWERRILSNFGC-XLNTUCKNSA-N 1 3 343.515 2.702 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027576197 716710586 /nfs/dbraw/zinc/71/05/86/716710586.db2.gz LWGXBRZMDZEKKC-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027576197 716710589 /nfs/dbraw/zinc/71/05/89/716710589.db2.gz LWGXBRZMDZEKKC-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC001027576405 716712407 /nfs/dbraw/zinc/71/24/07/716712407.db2.gz OOCYOCXPDVKOST-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC001027576405 716712411 /nfs/dbraw/zinc/71/24/11/716712411.db2.gz OOCYOCXPDVKOST-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027576537 716714540 /nfs/dbraw/zinc/71/45/40/716714540.db2.gz QYJXXHITJKBGAD-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027576537 716714542 /nfs/dbraw/zinc/71/45/42/716714542.db2.gz QYJXXHITJKBGAD-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576551 716714684 /nfs/dbraw/zinc/71/46/84/716714684.db2.gz RESQHDPEVRYBIB-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576551 716714691 /nfs/dbraw/zinc/71/46/91/716714691.db2.gz RESQHDPEVRYBIB-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576688 716715440 /nfs/dbraw/zinc/71/54/40/716715440.db2.gz USKRTXBPKAOEFH-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576688 716715446 /nfs/dbraw/zinc/71/54/46/716715446.db2.gz USKRTXBPKAOEFH-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000972609855 716717262 /nfs/dbraw/zinc/71/72/62/716717262.db2.gz FDHAMZNANJAHTE-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000972609855 716717269 /nfs/dbraw/zinc/71/72/69/716717269.db2.gz FDHAMZNANJAHTE-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027578522 716733299 /nfs/dbraw/zinc/73/32/99/716733299.db2.gz MLHSIAANDUGMHE-HKUYNNGSSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027578522 716733304 /nfs/dbraw/zinc/73/33/04/716733304.db2.gz MLHSIAANDUGMHE-HKUYNNGSSA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023633249 716746120 /nfs/dbraw/zinc/74/61/20/716746120.db2.gz VQXXLCVOUMRQKM-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023633249 716746126 /nfs/dbraw/zinc/74/61/26/716746126.db2.gz VQXXLCVOUMRQKM-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023677091 716803073 /nfs/dbraw/zinc/80/30/73/716803073.db2.gz BXVHNHRCJNFAQY-FUHWJXTLSA-N 1 3 341.515 2.683 20 0 EFADHO CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001027594686 716878757 /nfs/dbraw/zinc/87/87/57/716878757.db2.gz LTHHFMKFKGJIDM-LEOMRAHMSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001027594686 716878763 /nfs/dbraw/zinc/87/87/63/716878763.db2.gz LTHHFMKFKGJIDM-LEOMRAHMSA-N 1 3 332.492 2.701 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594906 716879913 /nfs/dbraw/zinc/87/99/13/716879913.db2.gz QCYLIERGLIMOQM-QAPCUYQASA-N 1 3 326.444 2.636 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594906 716879916 /nfs/dbraw/zinc/87/99/16/716879916.db2.gz QCYLIERGLIMOQM-QAPCUYQASA-N 1 3 326.444 2.636 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038782338 716887572 /nfs/dbraw/zinc/88/75/72/716887572.db2.gz SEZHBAPBIZRFCC-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038782338 716887576 /nfs/dbraw/zinc/88/75/76/716887576.db2.gz SEZHBAPBIZRFCC-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000978228518 716901762 /nfs/dbraw/zinc/90/17/62/716901762.db2.gz GZBTUGIKXNTVNX-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000978228518 716901766 /nfs/dbraw/zinc/90/17/66/716901766.db2.gz GZBTUGIKXNTVNX-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978235280 716910315 /nfs/dbraw/zinc/91/03/15/716910315.db2.gz UMLVAQYOWOPMQZ-ZJPYXAASSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978235280 716910323 /nfs/dbraw/zinc/91/03/23/716910323.db2.gz UMLVAQYOWOPMQZ-ZJPYXAASSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000978225585 716914168 /nfs/dbraw/zinc/91/41/68/716914168.db2.gz BJYHVHXQDPTGSQ-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000978225585 716914171 /nfs/dbraw/zinc/91/41/71/716914171.db2.gz BJYHVHXQDPTGSQ-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761548 716974577 /nfs/dbraw/zinc/97/45/77/716974577.db2.gz CIVPQWNBAONHCA-SFHVURJKSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761548 716974580 /nfs/dbraw/zinc/97/45/80/716974580.db2.gz CIVPQWNBAONHCA-SFHVURJKSA-N 1 3 331.504 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023763489 716975943 /nfs/dbraw/zinc/97/59/43/716975943.db2.gz OTTQTRRSDRGMEK-INIZCTEOSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023763489 716975944 /nfs/dbraw/zinc/97/59/44/716975944.db2.gz OTTQTRRSDRGMEK-INIZCTEOSA-N 1 3 335.467 2.550 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001023892246 717107807 /nfs/dbraw/zinc/10/78/07/717107807.db2.gz YUVYSKURVLLVRE-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001023892247 717108173 /nfs/dbraw/zinc/10/81/73/717108173.db2.gz YUVYSKURVLLVRE-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001023890246 717109851 /nfs/dbraw/zinc/10/98/51/717109851.db2.gz WNIHHSAFJKLVMT-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000382720093 717128631 /nfs/dbraw/zinc/12/86/31/717128631.db2.gz LEPCCYHEBPUJRU-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972730775 717159118 /nfs/dbraw/zinc/15/91/18/717159118.db2.gz AKMGWZGLHSEZIT-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972730775 717159120 /nfs/dbraw/zinc/15/91/20/717159120.db2.gz AKMGWZGLHSEZIT-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972732654 717160101 /nfs/dbraw/zinc/16/01/01/717160101.db2.gz LHDPLCMWVARMCO-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972732654 717160102 /nfs/dbraw/zinc/16/01/02/717160102.db2.gz LHDPLCMWVARMCO-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734362 717161370 /nfs/dbraw/zinc/16/13/70/717161370.db2.gz XPMXWTYVXVRWHP-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734362 717161372 /nfs/dbraw/zinc/16/13/72/717161372.db2.gz XPMXWTYVXVRWHP-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980405176 717219044 /nfs/dbraw/zinc/21/90/44/717219044.db2.gz GNISTILVUSWDJE-IBGZPJMESA-N 1 3 343.515 2.740 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980405176 717219048 /nfs/dbraw/zinc/21/90/48/717219048.db2.gz GNISTILVUSWDJE-IBGZPJMESA-N 1 3 343.515 2.740 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001024018077 717219274 /nfs/dbraw/zinc/21/92/74/717219274.db2.gz KCZCVRHDZBOKCH-QUCCMNQESA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001024018507 717219938 /nfs/dbraw/zinc/21/99/38/717219938.db2.gz OXPQDANSLILCMU-IEBWSBKVSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406063 717220074 /nfs/dbraw/zinc/22/00/74/717220074.db2.gz AAPWMPNFWFVKTC-GOSISDBHSA-N 1 3 349.906 2.777 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406063 717220079 /nfs/dbraw/zinc/22/00/79/717220079.db2.gz AAPWMPNFWFVKTC-GOSISDBHSA-N 1 3 349.906 2.777 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001024018344 717220279 /nfs/dbraw/zinc/22/02/79/717220279.db2.gz MVPJFUXHWPDSOE-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CCC1 ZINC001024018874 717221143 /nfs/dbraw/zinc/22/11/43/717221143.db2.gz STBDUFIZMRQSNY-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO C[N@H+]([C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCc2ccccc21 ZINC000980407491 717222546 /nfs/dbraw/zinc/22/25/46/717222546.db2.gz YMBTYNZTDNIFGB-QUCCMNQESA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCCc2ccccc21 ZINC000980407491 717222550 /nfs/dbraw/zinc/22/25/50/717222550.db2.gz YMBTYNZTDNIFGB-QUCCMNQESA-N 1 3 341.499 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024027174 717237264 /nfs/dbraw/zinc/23/72/64/717237264.db2.gz PWZSEEWUEMPOSW-MJGOQNOKSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001024026965 717237279 /nfs/dbraw/zinc/23/72/79/717237279.db2.gz MBNSJAMJAFDLMO-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001024027381 717237324 /nfs/dbraw/zinc/23/73/24/717237324.db2.gz RLZHGTCSOQJDSX-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC000980479799 717310144 /nfs/dbraw/zinc/31/01/44/717310144.db2.gz XRFXBEIZBUKHKJ-SFHVURJKSA-N 1 3 349.544 2.965 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485404 717328217 /nfs/dbraw/zinc/32/82/17/717328217.db2.gz JJBDUQJSLZYTRR-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485404 717328220 /nfs/dbraw/zinc/32/82/20/717328220.db2.gz JJBDUQJSLZYTRR-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979705615 717365846 /nfs/dbraw/zinc/36/58/46/717365846.db2.gz ANSWBBJUAIDHKR-KSZLIROESA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979705615 717365849 /nfs/dbraw/zinc/36/58/49/717365849.db2.gz ANSWBBJUAIDHKR-KSZLIROESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001024155825 717449815 /nfs/dbraw/zinc/44/98/15/717449815.db2.gz ANNWXJDAPOULAD-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024156125 717450694 /nfs/dbraw/zinc/45/06/94/717450694.db2.gz IPHYMDGDQWLASB-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001024156722 717451421 /nfs/dbraw/zinc/45/14/21/717451421.db2.gz SKVLMTLZTZXZSO-AZUAARDMSA-N 1 3 343.515 2.665 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001024161621 717454473 /nfs/dbraw/zinc/45/44/73/717454473.db2.gz MANBXLHOHPPHEU-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)C1 ZINC001024157257 717454502 /nfs/dbraw/zinc/45/45/02/717454502.db2.gz YHFMOWPPRVEJOV-SFHVURJKSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1F ZINC001024178848 717477078 /nfs/dbraw/zinc/47/70/78/717477078.db2.gz GBPNIGGWEOGVIT-CABCVRRESA-N 1 3 344.434 2.681 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000980605638 717477378 /nfs/dbraw/zinc/47/73/78/717477378.db2.gz URIZDDBZSNIYMI-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000980605899 717477881 /nfs/dbraw/zinc/47/78/81/717477881.db2.gz YDYPRHADOIBZRW-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980605716 717478042 /nfs/dbraw/zinc/47/80/42/717478042.db2.gz VUYJKHVGGPCEPN-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001024180346 717479563 /nfs/dbraw/zinc/47/95/63/717479563.db2.gz WCEMPLNHVHXFMJ-LSDHHAIUSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000980606910 717487506 /nfs/dbraw/zinc/48/75/06/717487506.db2.gz ITUFGNVLXRMFIR-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980607426 717488246 /nfs/dbraw/zinc/48/82/46/717488246.db2.gz OQPQSJSEROLIAC-IRXDYDNUSA-N 1 3 347.547 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024211463 717496433 /nfs/dbraw/zinc/49/64/33/717496433.db2.gz AGGGZYSPUFUFRC-IBGZPJMESA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980701086 717606215 /nfs/dbraw/zinc/60/62/15/717606215.db2.gz YJKCUMNSAMTSEX-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC000980708743 717640490 /nfs/dbraw/zinc/64/04/90/717640490.db2.gz OGGDMFYDIVTVHY-SWLSCSKDSA-N 1 3 346.500 2.657 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709655 717641513 /nfs/dbraw/zinc/64/15/13/717641513.db2.gz YXXUOVPGUQNPHG-HIFRSBDPSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709697 717641890 /nfs/dbraw/zinc/64/18/90/717641890.db2.gz ZOSPJBBCYNMZCD-UKRRQHHQSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@H+]2C)cc1F ZINC001027971682 717679045 /nfs/dbraw/zinc/67/90/45/717679045.db2.gz JVKOLGCFYKBTJR-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1F ZINC001027971682 717679050 /nfs/dbraw/zinc/67/90/50/717679050.db2.gz JVKOLGCFYKBTJR-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCCN2C)cc1F ZINC001027971682 717679054 /nfs/dbraw/zinc/67/90/54/717679054.db2.gz JVKOLGCFYKBTJR-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCCN2C)cc1F ZINC001027971682 717679057 /nfs/dbraw/zinc/67/90/57/717679057.db2.gz JVKOLGCFYKBTJR-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1F ZINC001027971683 717679129 /nfs/dbraw/zinc/67/91/29/717679129.db2.gz JVKOLGCFYKBTJR-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001027971683 717679134 /nfs/dbraw/zinc/67/91/34/717679134.db2.gz JVKOLGCFYKBTJR-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCCN2C)cc1F ZINC001027971683 717679136 /nfs/dbraw/zinc/67/91/36/717679136.db2.gz JVKOLGCFYKBTJR-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCCN2C)cc1F ZINC001027971683 717679141 /nfs/dbraw/zinc/67/91/41/717679141.db2.gz JVKOLGCFYKBTJR-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029901499 724466619 /nfs/dbraw/zinc/46/66/19/724466619.db2.gz HDIBZAXDKMXSOP-DOTOQJQBSA-N 1 3 349.906 2.572 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029901499 724466621 /nfs/dbraw/zinc/46/66/21/724466621.db2.gz HDIBZAXDKMXSOP-DOTOQJQBSA-N 1 3 349.906 2.572 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1F ZINC000980800299 717762316 /nfs/dbraw/zinc/76/23/16/717762316.db2.gz PDJQATHTYVPQJW-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800485 717763624 /nfs/dbraw/zinc/76/36/24/717763624.db2.gz QDGTXSZRPFAJNP-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000980802040 717767148 /nfs/dbraw/zinc/76/71/48/717767148.db2.gz XOIQMCMKXAWXPI-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980802570 717768911 /nfs/dbraw/zinc/76/89/11/717768911.db2.gz ZUVFKCDWZSBIKN-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000980799788 717774137 /nfs/dbraw/zinc/77/41/37/717774137.db2.gz LOHYTCSKVOAUEX-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027986598 717788496 /nfs/dbraw/zinc/78/84/96/717788496.db2.gz ZCDXMNQBGNIYDV-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001027986598 717788503 /nfs/dbraw/zinc/78/85/03/717788503.db2.gz ZCDXMNQBGNIYDV-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001029904235 724474830 /nfs/dbraw/zinc/47/48/30/724474830.db2.gz QNSRSKMZZRRTAP-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001029904235 724474834 /nfs/dbraw/zinc/47/48/34/724474834.db2.gz QNSRSKMZZRRTAP-FQEVSTJZSA-N 1 3 343.515 2.625 20 0 EFADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024503004 717832684 /nfs/dbraw/zinc/83/26/84/717832684.db2.gz UNSJBYUDTMFUAF-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173716 717857581 /nfs/dbraw/zinc/85/75/81/717857581.db2.gz SGDGSROXOIFAOO-RCCFBDPRSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980173716 717857587 /nfs/dbraw/zinc/85/75/87/717857587.db2.gz SGDGSROXOIFAOO-RCCFBDPRSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001029754984 724474498 /nfs/dbraw/zinc/47/44/98/724474498.db2.gz GVNRNXJGWLZMNO-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001029754984 724474500 /nfs/dbraw/zinc/47/45/00/724474500.db2.gz GVNRNXJGWLZMNO-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904210 724474686 /nfs/dbraw/zinc/47/46/86/724474686.db2.gz QDWHGUGACCCIIR-QZTJIDSGSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904210 724474691 /nfs/dbraw/zinc/47/46/91/724474691.db2.gz QDWHGUGACCCIIR-QZTJIDSGSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001029904461 724475240 /nfs/dbraw/zinc/47/52/40/724475240.db2.gz WVTYNGVITXYIBI-GOSISDBHSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001029904461 724475243 /nfs/dbraw/zinc/47/52/43/724475243.db2.gz WVTYNGVITXYIBI-GOSISDBHSA-N 1 3 347.478 2.510 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2F)C1)C1CCC1 ZINC001029755775 724475527 /nfs/dbraw/zinc/47/55/27/724475527.db2.gz TWTJXOJQABXXQM-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2F)C1)C1CCC1 ZINC001029755775 724475530 /nfs/dbraw/zinc/47/55/30/724475530.db2.gz TWTJXOJQABXXQM-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755511 724475794 /nfs/dbraw/zinc/47/57/94/724475794.db2.gz MFRUNOMSICHGDX-IEBWSBKVSA-N 1 3 333.520 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755511 724475796 /nfs/dbraw/zinc/47/57/96/724475796.db2.gz MFRUNOMSICHGDX-IEBWSBKVSA-N 1 3 333.520 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756525 724476358 /nfs/dbraw/zinc/47/63/58/724476358.db2.gz XEXGMRJXAWURBT-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756525 724476359 /nfs/dbraw/zinc/47/63/59/724476359.db2.gz XEXGMRJXAWURBT-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904280 724477543 /nfs/dbraw/zinc/47/75/43/724477543.db2.gz RVCOHRAPBFKBRL-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904280 724477546 /nfs/dbraw/zinc/47/75/46/724477546.db2.gz RVCOHRAPBFKBRL-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027919061 718097444 /nfs/dbraw/zinc/09/74/44/718097444.db2.gz SRELXUQNGDZIEA-WMZOPIPTSA-N 1 3 349.544 2.746 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC001027919061 718097447 /nfs/dbraw/zinc/09/74/47/718097447.db2.gz SRELXUQNGDZIEA-WMZOPIPTSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029761738 724482345 /nfs/dbraw/zinc/48/23/45/724482345.db2.gz ZNWUJEJQHYDXDV-OALUTQOASA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029761738 724482346 /nfs/dbraw/zinc/48/23/46/724482346.db2.gz ZNWUJEJQHYDXDV-OALUTQOASA-N 1 3 331.504 2.553 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001029767565 724485852 /nfs/dbraw/zinc/48/58/52/724485852.db2.gz UNJCPRVNLIJZTQ-VQTJNVASSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001029767565 724485854 /nfs/dbraw/zinc/48/58/54/724485854.db2.gz UNJCPRVNLIJZTQ-VQTJNVASSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029766970 724485071 /nfs/dbraw/zinc/48/50/71/724485071.db2.gz ITBPRUAAWOHPPV-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029766970 724485074 /nfs/dbraw/zinc/48/50/74/724485074.db2.gz ITBPRUAAWOHPPV-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152739 718157797 /nfs/dbraw/zinc/15/77/97/718157797.db2.gz OANKGGDQVDUAIX-VQTJNVASSA-N 1 3 345.531 2.896 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CC2=CCCCC2)CC1 ZINC000981152739 718157798 /nfs/dbraw/zinc/15/77/98/718157798.db2.gz OANKGGDQVDUAIX-VQTJNVASSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029767635 724486153 /nfs/dbraw/zinc/48/61/53/724486153.db2.gz WKPRBOVPEYJQOK-RBUKOAKNSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029767635 724486156 /nfs/dbraw/zinc/48/61/56/724486156.db2.gz WKPRBOVPEYJQOK-RBUKOAKNSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCc2ccccc2F)CC1)N(C)C ZINC000985496093 724487392 /nfs/dbraw/zinc/48/73/92/724487392.db2.gz MKMLKHNKJZBNTL-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCc2ccccc2F)CC1)N(C)C ZINC000985496093 724487393 /nfs/dbraw/zinc/48/73/93/724487393.db2.gz MKMLKHNKJZBNTL-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001024902658 718213859 /nfs/dbraw/zinc/21/38/59/718213859.db2.gz WXKRXKQKQFMYJY-MSOLQXFVSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1)N(C)C ZINC000985494303 724489079 /nfs/dbraw/zinc/48/90/79/724489079.db2.gz DAEKCXLBWXHLQO-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1)N(C)C ZINC000985494303 724489080 /nfs/dbraw/zinc/48/90/80/724489080.db2.gz DAEKCXLBWXHLQO-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@@H+]1CCCF ZINC000947308848 718226227 /nfs/dbraw/zinc/22/62/27/718226227.db2.gz AOEMULSSESZGHB-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@H+]1CCCF ZINC000947308848 718226228 /nfs/dbraw/zinc/22/62/28/718226228.db2.gz AOEMULSSESZGHB-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001024985591 718249582 /nfs/dbraw/zinc/24/95/82/718249582.db2.gz QSKXUNOOEZQIIP-DLBZAZTESA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001024985680 718249860 /nfs/dbraw/zinc/24/98/60/718249860.db2.gz SDOPVMFSDIDETB-RTBURBONSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001024985842 718249919 /nfs/dbraw/zinc/24/99/19/718249919.db2.gz UJBUKQHXEYIWFT-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001024985815 718249936 /nfs/dbraw/zinc/24/99/36/718249936.db2.gz STTDETRQJZEPNK-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001024998625 718255774 /nfs/dbraw/zinc/25/57/74/718255774.db2.gz HUUMKUAFLBTVBN-IEBWSBKVSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001024999729 718256189 /nfs/dbraw/zinc/25/61/89/718256189.db2.gz ZYMSLGOQBIKFKQ-QZTJIDSGSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001024999216 718257614 /nfs/dbraw/zinc/25/76/14/718257614.db2.gz UOHPKLLZDIQBOT-QZTJIDSGSA-N 1 3 335.467 2.637 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001029770145 724494833 /nfs/dbraw/zinc/49/48/33/724494833.db2.gz UERYMYMTVJBLDJ-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001029770145 724494836 /nfs/dbraw/zinc/49/48/36/724494836.db2.gz UERYMYMTVJBLDJ-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000892575641 718300673 /nfs/dbraw/zinc/30/06/73/718300673.db2.gz XDACUIGWEZHYTC-LJQANCHMSA-N 1 3 344.547 2.793 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2)CC1)N(C)C ZINC000985497983 724496228 /nfs/dbraw/zinc/49/62/28/724496228.db2.gz YUSCYODSSHBTDD-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1)N(C)C ZINC000985497983 724496232 /nfs/dbraw/zinc/49/62/32/724496232.db2.gz YUSCYODSSHBTDD-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029910292 724497121 /nfs/dbraw/zinc/49/71/21/724497121.db2.gz DIBSZKMMDXUNCT-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029910292 724497125 /nfs/dbraw/zinc/49/71/25/724497125.db2.gz DIBSZKMMDXUNCT-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029910714 724497717 /nfs/dbraw/zinc/49/77/17/724497717.db2.gz XBWZRPFLJTVBPW-WMZOPIPTSA-N 1 3 349.544 2.903 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029910714 724497719 /nfs/dbraw/zinc/49/77/19/724497719.db2.gz XBWZRPFLJTVBPW-WMZOPIPTSA-N 1 3 349.544 2.903 20 0 EFADHO CCCN1CCC([NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924577958 718334018 /nfs/dbraw/zinc/33/40/18/718334018.db2.gz MEDDMAODOLYMPB-LIRRHRJNSA-N 1 3 335.467 2.855 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892612767 718341393 /nfs/dbraw/zinc/34/13/93/718341393.db2.gz DMRJTFQKDSNYGW-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001025073888 718341867 /nfs/dbraw/zinc/34/18/67/718341867.db2.gz VTYBNSDFRZADML-RTBURBONSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001025073852 718341968 /nfs/dbraw/zinc/34/19/68/718341968.db2.gz UHHUPHBESYJCCH-DLBZAZTESA-N 1 3 337.533 2.805 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001025084876 718350581 /nfs/dbraw/zinc/35/05/81/718350581.db2.gz KBYSGUFGHRKLPN-QAPCUYQASA-N 1 3 327.488 2.578 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001025098298 718357898 /nfs/dbraw/zinc/35/78/98/718357898.db2.gz MZCWPLZOOCJQCN-LEOMRAHMSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001025098184 718357928 /nfs/dbraw/zinc/35/79/28/718357928.db2.gz KZBWRSJDUZABER-LJQANCHMSA-N 1 3 340.471 2.740 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001025098354 718358181 /nfs/dbraw/zinc/35/81/81/718358181.db2.gz PLFKCJJPHSSPBM-QGZVFWFLSA-N 1 3 330.476 2.503 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001025098568 718358357 /nfs/dbraw/zinc/35/83/57/718358357.db2.gz XHPVEVUPXWOYGI-GOSISDBHSA-N 1 3 344.503 2.893 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001025100447 718360222 /nfs/dbraw/zinc/36/02/22/718360222.db2.gz ISMLBKHDUPKXEB-LJQANCHMSA-N 1 3 340.471 2.686 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001025158823 718391418 /nfs/dbraw/zinc/39/14/18/718391418.db2.gz WVWNJZMUEMKFBM-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001025158823 718391419 /nfs/dbraw/zinc/39/14/19/718391419.db2.gz WVWNJZMUEMKFBM-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001025160456 718392834 /nfs/dbraw/zinc/39/28/34/718392834.db2.gz MUKWKHSCHGKIPY-IAGOWNOFSA-N 1 3 347.478 2.953 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCF ZINC001025247178 718467265 /nfs/dbraw/zinc/46/72/65/718467265.db2.gz JCYAAVKXWUCIBM-ZWKOTPCHSA-N 1 3 344.434 2.763 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCF ZINC001025247178 718467266 /nfs/dbraw/zinc/46/72/66/718467266.db2.gz JCYAAVKXWUCIBM-ZWKOTPCHSA-N 1 3 344.434 2.763 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196590 718483889 /nfs/dbraw/zinc/48/38/89/718483889.db2.gz MLVLYASPFFKQRG-YQVWRLOYSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196590 718483891 /nfs/dbraw/zinc/48/38/91/718483891.db2.gz MLVLYASPFFKQRG-YQVWRLOYSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193620 718491400 /nfs/dbraw/zinc/49/14/00/718491400.db2.gz DZPFUAUAVPLTPU-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193620 718491401 /nfs/dbraw/zinc/49/14/01/718491401.db2.gz DZPFUAUAVPLTPU-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981283565 718597845 /nfs/dbraw/zinc/59/78/45/718597845.db2.gz XQUQFIFJTNLQCY-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981283565 718597849 /nfs/dbraw/zinc/59/78/49/718597849.db2.gz XQUQFIFJTNLQCY-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925804610 718638608 /nfs/dbraw/zinc/63/86/08/718638608.db2.gz KMIFUFSYZJOIPL-MGPQQGTHSA-N 1 3 330.398 2.721 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981369210 718668463 /nfs/dbraw/zinc/66/84/63/718668463.db2.gz GRPJXOCZUKUDQL-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981369210 718668464 /nfs/dbraw/zinc/66/84/64/718668464.db2.gz GRPJXOCZUKUDQL-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981370188 718669037 /nfs/dbraw/zinc/66/90/37/718669037.db2.gz YKIOLBUEACCJBQ-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981370188 718669038 /nfs/dbraw/zinc/66/90/38/718669038.db2.gz YKIOLBUEACCJBQ-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001028088233 718673027 /nfs/dbraw/zinc/67/30/27/718673027.db2.gz GQSNKVBFDRQPRH-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001028088233 718673030 /nfs/dbraw/zinc/67/30/30/718673030.db2.gz GQSNKVBFDRQPRH-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(N1CCCN(CC2=CCCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000981427232 718704537 /nfs/dbraw/zinc/70/45/37/718704537.db2.gz BZZOJLJXXJTYJX-UHFFFAOYSA-N 1 3 345.531 2.897 20 0 EFADHO O=C(NC[C@@H]1CCCN1CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094320 718725940 /nfs/dbraw/zinc/72/59/40/718725940.db2.gz XHMZUCTXGAWUED-ZWKOTPCHSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@@H]1CCCN1CCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094320 718725943 /nfs/dbraw/zinc/72/59/43/718725943.db2.gz XHMZUCTXGAWUED-ZWKOTPCHSA-N 1 3 339.499 2.724 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000981485491 718754265 /nfs/dbraw/zinc/75/42/65/718754265.db2.gz JPFLRFUYCWCVIQ-LSDHHAIUSA-N 1 3 332.473 2.539 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000981486613 718754786 /nfs/dbraw/zinc/75/47/86/718754786.db2.gz OOBQBOPJFBKIFX-ROUUACIJSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000981489003 718756417 /nfs/dbraw/zinc/75/64/17/718756417.db2.gz YDHNWRPZPWNJLN-IRXDYDNUSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000981489212 718757350 /nfs/dbraw/zinc/75/73/50/718757350.db2.gz ZFLPDDOMMMDNNN-DLBZAZTESA-N 1 3 330.476 2.778 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038327319 718770165 /nfs/dbraw/zinc/77/01/65/718770165.db2.gz JCNRNXKJBZEQTO-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038327319 718770170 /nfs/dbraw/zinc/77/01/70/718770170.db2.gz JCNRNXKJBZEQTO-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327319 718770173 /nfs/dbraw/zinc/77/01/73/718770173.db2.gz JCNRNXKJBZEQTO-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327319 718770175 /nfs/dbraw/zinc/77/01/75/718770175.db2.gz JCNRNXKJBZEQTO-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001028105707 718867753 /nfs/dbraw/zinc/86/77/53/718867753.db2.gz YVVYPVZYXXXOBY-INIZCTEOSA-N 1 3 347.484 2.797 20 0 EFADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001028105707 718867761 /nfs/dbraw/zinc/86/77/61/718867761.db2.gz YVVYPVZYXXXOBY-INIZCTEOSA-N 1 3 347.484 2.797 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001029921318 724549774 /nfs/dbraw/zinc/54/97/74/724549774.db2.gz WYOUQTOYZBGKGS-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO c1ccc2c(c1)C[NH2+][C@H]1CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164430480 718946671 /nfs/dbraw/zinc/94/66/71/718946671.db2.gz VYIIZCBEMVTEAA-PMACEKPBSA-N 1 3 334.467 2.753 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)N1CCCC1 ZINC000981742422 718994166 /nfs/dbraw/zinc/99/41/66/718994166.db2.gz FZEQJMPMIHACMV-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)N1CCCC1 ZINC000981742422 718994167 /nfs/dbraw/zinc/99/41/67/718994167.db2.gz FZEQJMPMIHACMV-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)Cc1ccnc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164624748 719048463 /nfs/dbraw/zinc/04/84/63/719048463.db2.gz OWHUBXJJYRAFBT-CTNGQTDRSA-N 1 3 336.483 2.727 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)C1CC1 ZINC000981813042 719073465 /nfs/dbraw/zinc/07/34/65/719073465.db2.gz DWCVGLVEVFHYCP-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)C1CC1 ZINC000981813042 719073468 /nfs/dbraw/zinc/07/34/68/719073468.db2.gz DWCVGLVEVFHYCP-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000892742008 719101587 /nfs/dbraw/zinc/10/15/87/719101587.db2.gz WIUDMLDHASAIHJ-UAFMIMERSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000892742008 719101588 /nfs/dbraw/zinc/10/15/88/719101588.db2.gz WIUDMLDHASAIHJ-UAFMIMERSA-N 1 3 332.488 2.681 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CCC2=CCCCC2)CC1)N(C)C ZINC000981899139 719175511 /nfs/dbraw/zinc/17/55/11/719175511.db2.gz WAGXQKMPSLRSLD-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1)N(C)C ZINC000981899139 719175513 /nfs/dbraw/zinc/17/55/13/719175513.db2.gz WAGXQKMPSLRSLD-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629530 719253905 /nfs/dbraw/zinc/25/39/05/719253905.db2.gz HXPULRBTKGKJJK-IAGOWNOFSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629530 719253906 /nfs/dbraw/zinc/25/39/06/719253906.db2.gz HXPULRBTKGKJJK-IAGOWNOFSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025629791 719254967 /nfs/dbraw/zinc/25/49/67/719254967.db2.gz KVUSLJBZHIJKLP-FUHWJXTLSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025629791 719254969 /nfs/dbraw/zinc/25/49/69/719254969.db2.gz KVUSLJBZHIJKLP-FUHWJXTLSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001025630964 719258628 /nfs/dbraw/zinc/25/86/28/719258628.db2.gz XNXPWHDWOSDGKU-IAGOWNOFSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001025630964 719258630 /nfs/dbraw/zinc/25/86/30/719258630.db2.gz XNXPWHDWOSDGKU-IAGOWNOFSA-N 1 3 349.494 2.938 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631007 719259057 /nfs/dbraw/zinc/25/90/57/719259057.db2.gz YEHVYOCHRSRQNA-DLBZAZTESA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631007 719259058 /nfs/dbraw/zinc/25/90/58/719259058.db2.gz YEHVYOCHRSRQNA-DLBZAZTESA-N 1 3 331.504 2.989 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2[C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)[C@H]2[C@H]4C3)C1 ZINC000328574706 719325958 /nfs/dbraw/zinc/32/59/58/719325958.db2.gz XDOVCMZELVHVFN-CJNLHWCBSA-N 1 3 349.519 2.562 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001019776049 719383342 /nfs/dbraw/zinc/38/33/42/719383342.db2.gz TYWQYRAYWJUVTQ-IBGZPJMESA-N 1 3 337.467 2.626 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019776128 719383925 /nfs/dbraw/zinc/38/39/25/719383925.db2.gz XZSZPRMFUOVSCJ-IBGZPJMESA-N 1 3 329.488 2.596 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001019820713 719391757 /nfs/dbraw/zinc/39/17/57/719391757.db2.gz VQBIZLNUXLMITI-VQTJNVASSA-N 1 3 343.515 2.602 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccsc2)C1)[NH+]1CCCCC1 ZINC001019823935 719392473 /nfs/dbraw/zinc/39/24/73/719392473.db2.gz ZUTRVACPISHAPF-ZWKOTPCHSA-N 1 3 349.544 2.949 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992554 719406260 /nfs/dbraw/zinc/40/62/60/719406260.db2.gz YVNSNVJMZPUZDJ-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC000981992554 719406263 /nfs/dbraw/zinc/40/62/63/719406263.db2.gz YVNSNVJMZPUZDJ-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2)[NH+](C)C ZINC000981992549 719406420 /nfs/dbraw/zinc/40/64/20/719406420.db2.gz YQYPBPSLRZOZET-QGZVFWFLSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013316 719439417 /nfs/dbraw/zinc/43/94/17/719439417.db2.gz QGHGEEXDXSWPHL-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CCCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013316 719439418 /nfs/dbraw/zinc/43/94/18/719439418.db2.gz QGHGEEXDXSWPHL-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1csc(C)c1)C2)N(C)C ZINC000982019115 719447480 /nfs/dbraw/zinc/44/74/80/719447480.db2.gz QLSWIAYKBPVINU-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(C)c1)C2)N(C)C ZINC000982019115 719447481 /nfs/dbraw/zinc/44/74/81/719447481.db2.gz QLSWIAYKBPVINU-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982037017 719487223 /nfs/dbraw/zinc/48/72/23/719487223.db2.gz XYNQGMLTICZBHP-MRXNPFEDSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982037017 719487227 /nfs/dbraw/zinc/48/72/27/719487227.db2.gz XYNQGMLTICZBHP-MRXNPFEDSA-N 1 3 338.455 2.638 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000982080857 719544383 /nfs/dbraw/zinc/54/43/83/719544383.db2.gz BXUUQYCSMWKXKY-IAGOWNOFSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000982080857 719544387 /nfs/dbraw/zinc/54/43/87/719544387.db2.gz BXUUQYCSMWKXKY-IAGOWNOFSA-N 1 3 327.488 2.532 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC000982163481 719607548 /nfs/dbraw/zinc/60/75/48/719607548.db2.gz CBIPCDMQMPOMIS-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC[C@H](C)F)C2 ZINC000982163481 719607550 /nfs/dbraw/zinc/60/75/50/719607550.db2.gz CBIPCDMQMPOMIS-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982163618 719608889 /nfs/dbraw/zinc/60/88/89/719608889.db2.gz KINZDUOMPSPYJZ-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982163618 719608891 /nfs/dbraw/zinc/60/88/91/719608891.db2.gz KINZDUOMPSPYJZ-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160662 719619550 /nfs/dbraw/zinc/61/95/50/719619550.db2.gz ANMULLZIAGTREZ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160662 719619552 /nfs/dbraw/zinc/61/95/52/719619552.db2.gz ANMULLZIAGTREZ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982161518 719620388 /nfs/dbraw/zinc/62/03/88/719620388.db2.gz UAWBMHPXDGZXHM-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982161518 719620389 /nfs/dbraw/zinc/62/03/89/719620389.db2.gz UAWBMHPXDGZXHM-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026043134 719672217 /nfs/dbraw/zinc/67/22/17/719672217.db2.gz BOZPPHHMKKKJDW-YLCUBWEDSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026043134 719672219 /nfs/dbraw/zinc/67/22/19/719672219.db2.gz BOZPPHHMKKKJDW-YLCUBWEDSA-N 1 3 341.499 2.668 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275911 719775198 /nfs/dbraw/zinc/77/51/98/719775198.db2.gz MFAJUZUSAXSGKM-YSIASYRMSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275911 719775200 /nfs/dbraw/zinc/77/52/00/719775200.db2.gz MFAJUZUSAXSGKM-YSIASYRMSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148348 719802128 /nfs/dbraw/zinc/80/21/28/719802128.db2.gz BAOFLFDNOGKSKO-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148348 719802132 /nfs/dbraw/zinc/80/21/32/719802132.db2.gz BAOFLFDNOGKSKO-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148909 719802850 /nfs/dbraw/zinc/80/28/50/719802850.db2.gz DNYOFXHRMJYASU-XJEZRWEYSA-N 1 3 345.531 2.796 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148909 719802855 /nfs/dbraw/zinc/80/28/55/719802855.db2.gz DNYOFXHRMJYASU-XJEZRWEYSA-N 1 3 345.531 2.796 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCC(C)(C)C)C[C@]2(C)C1)C1CC1 ZINC000982296152 719839056 /nfs/dbraw/zinc/83/90/56/719839056.db2.gz LCCREAXWGNOBEU-UIFIKXQLSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC(C)(C)C)C[C@]2(C)C1)C1CC1 ZINC000982296152 719839060 /nfs/dbraw/zinc/83/90/60/719839060.db2.gz LCCREAXWGNOBEU-UIFIKXQLSA-N 1 3 349.563 2.933 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1)C1CCC1 ZINC001026283319 720131077 /nfs/dbraw/zinc/13/10/77/720131077.db2.gz GFULOALCROWZEO-YSIASYRMSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1)C1CCC1 ZINC001026283317 720131172 /nfs/dbraw/zinc/13/11/72/720131172.db2.gz GFULOALCROWZEO-IHPCNDPISA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C1)C1CCC1 ZINC001026285027 720138378 /nfs/dbraw/zinc/13/83/78/720138378.db2.gz XALFTZKRENTWDB-UHOSZYNNSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358587 724651723 /nfs/dbraw/zinc/65/17/23/724651723.db2.gz ZRZPKWRVVXUQMP-APWZRJJASA-N 1 3 333.520 2.940 20 0 EFADHO COc1ccc2nccc(NCC3(SC)CC[NH+](C)CC3)c2c1 ZINC000893911514 720157049 /nfs/dbraw/zinc/15/70/49/720157049.db2.gz QAXOIMIDVGKAGU-UHFFFAOYSA-N 1 3 331.485 2.905 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC(C[NH+](C)C)CC1 ZINC000893940163 720171527 /nfs/dbraw/zinc/17/15/27/720171527.db2.gz KAFJIDZHCAXPSC-UHFFFAOYSA-N 1 3 329.444 2.728 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986350832 724659290 /nfs/dbraw/zinc/65/92/90/724659290.db2.gz AHHOVEFIXYRYCG-OXQOHEQNSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986350829 724659348 /nfs/dbraw/zinc/65/93/48/724659348.db2.gz AHHOVEFIXYRYCG-OXJNMPFZSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCC(F)(F)F ZINC000947774593 720330745 /nfs/dbraw/zinc/33/07/45/720330745.db2.gz BXCFSCWRWAMJPW-ZFWWWQNUSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029830046 724667665 /nfs/dbraw/zinc/66/76/65/724667665.db2.gz NXQKIWKXELNGRS-PKOBYXMFSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001029830046 724667666 /nfs/dbraw/zinc/66/76/66/724667666.db2.gz NXQKIWKXELNGRS-PKOBYXMFSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029831130 724669892 /nfs/dbraw/zinc/66/98/92/724669892.db2.gz PUXNOOZKQVHPDE-DOTOQJQBSA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029831130 724669894 /nfs/dbraw/zinc/66/98/94/724669894.db2.gz PUXNOOZKQVHPDE-DOTOQJQBSA-N 1 3 337.533 2.615 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333022 720373582 /nfs/dbraw/zinc/37/35/82/720373582.db2.gz BIRRNCJXGNRAMM-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333022 720373585 /nfs/dbraw/zinc/37/35/85/720373585.db2.gz BIRRNCJXGNRAMM-NVXWUHKLSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334370 720380185 /nfs/dbraw/zinc/38/01/85/720380185.db2.gz XOKIBVACYKORRS-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334370 720380189 /nfs/dbraw/zinc/38/01/89/720380189.db2.gz XOKIBVACYKORRS-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCC4)[C@H]3C2)C1 ZINC001026362094 720390091 /nfs/dbraw/zinc/39/00/91/720390091.db2.gz VCMNMSZKSBCEPU-GBESFXJTSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1)[NH+]1CCCC1 ZINC001008160379 720406380 /nfs/dbraw/zinc/40/63/80/720406380.db2.gz AEXDVOUQVSJICT-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCC4)[C@@H]3C2)CC1 ZINC001026386916 720455555 /nfs/dbraw/zinc/45/55/55/720455555.db2.gz UNGRXNWSEWIOME-ZCNNSNEGSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(N[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925604997 720538082 /nfs/dbraw/zinc/53/80/82/720538082.db2.gz CRHCJUJWOBJOLJ-APWZRJJASA-N 1 3 328.504 2.871 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(F)cc1 ZINC000947686237 720576631 /nfs/dbraw/zinc/57/66/31/720576631.db2.gz VUBCFDFSEXDOPU-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029841478 724691730 /nfs/dbraw/zinc/69/17/30/724691730.db2.gz IVUQNFNRDYHKSE-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029841478 724691732 /nfs/dbraw/zinc/69/17/32/724691732.db2.gz IVUQNFNRDYHKSE-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985593595 724691758 /nfs/dbraw/zinc/69/17/58/724691758.db2.gz LMNYFKLZJWPDPM-SFHVURJKSA-N 1 3 339.499 2.676 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985593595 724691760 /nfs/dbraw/zinc/69/17/60/724691760.db2.gz LMNYFKLZJWPDPM-SFHVURJKSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001029841273 724692141 /nfs/dbraw/zinc/69/21/41/724692141.db2.gz HWZJWWYNGMWGAC-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001029841273 724692144 /nfs/dbraw/zinc/69/21/44/724692144.db2.gz HWZJWWYNGMWGAC-AEFFLSMTSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982520879 720703501 /nfs/dbraw/zinc/70/35/01/720703501.db2.gz XZZSJCVHRLWDLM-NRSPTQNISA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982520879 720703502 /nfs/dbraw/zinc/70/35/02/720703502.db2.gz XZZSJCVHRLWDLM-NRSPTQNISA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982521004 720704307 /nfs/dbraw/zinc/70/43/07/720704307.db2.gz ZXUNOMWNRKFQGY-PBJIVGMFSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982521004 720704310 /nfs/dbraw/zinc/70/43/10/720704310.db2.gz ZXUNOMWNRKFQGY-PBJIVGMFSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)CCN1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000925651974 720745648 /nfs/dbraw/zinc/74/56/48/720745648.db2.gz MQXMDFHIDGEWPA-UHFFFAOYSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001026561118 720748425 /nfs/dbraw/zinc/74/84/25/720748425.db2.gz OXJXBKQTXGVXBD-IVMQYODDSA-N 1 3 347.547 2.926 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001026561174 720748514 /nfs/dbraw/zinc/74/85/14/720748514.db2.gz RMWDNOFGTVMZBL-MNNVXMFVSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001026561168 720748530 /nfs/dbraw/zinc/74/85/30/720748530.db2.gz QZPZYOJNMGECHD-QHGAOEGBSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001026560954 720748685 /nfs/dbraw/zinc/74/86/85/720748685.db2.gz LBHXRPLCPHDFMR-MNNVXMFVSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)C[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559923 720752915 /nfs/dbraw/zinc/75/29/15/720752915.db2.gz WMMDXKBSQYLWPI-LADRWXRNSA-N 1 3 341.515 2.872 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001026598482 720797690 /nfs/dbraw/zinc/79/76/90/720797690.db2.gz JAHICXUYYBVNTI-UHFFFAOYSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026598691 720798028 /nfs/dbraw/zinc/79/80/28/720798028.db2.gz UMJSOVXRRLVVMD-UHFFFAOYSA-N 1 3 330.476 2.778 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001026598704 720798055 /nfs/dbraw/zinc/79/80/55/720798055.db2.gz UZDMLZKVLNXRIH-UHFFFAOYSA-N 1 3 344.503 2.858 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026610280 720820258 /nfs/dbraw/zinc/82/02/58/720820258.db2.gz KISRAHWRBSUMHK-UHFFFAOYSA-N 1 3 329.488 2.789 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)(C)C3)C[C@]2(C)C1)N(C)C ZINC000982560179 720829164 /nfs/dbraw/zinc/82/91/64/720829164.db2.gz FEVMPPBFANAQKZ-DZFGPLHGSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)(C)C3)C[C@]2(C)C1)N(C)C ZINC000982560179 720829171 /nfs/dbraw/zinc/82/91/71/720829171.db2.gz FEVMPPBFANAQKZ-DZFGPLHGSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)N1CCCCCC1 ZINC000982617035 720951783 /nfs/dbraw/zinc/95/17/83/720951783.db2.gz KLKKVFIQGRJYCC-UIFIKXQLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)N1CCCCCC1 ZINC000982617035 720951787 /nfs/dbraw/zinc/95/17/87/720951787.db2.gz KLKKVFIQGRJYCC-UIFIKXQLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536619 720985528 /nfs/dbraw/zinc/98/55/28/720985528.db2.gz CDIBDFBMPMCDNQ-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536619 720985530 /nfs/dbraw/zinc/98/55/30/720985530.db2.gz CDIBDFBMPMCDNQ-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028537118 720986607 /nfs/dbraw/zinc/98/66/07/720986607.db2.gz HJHPYOVZFXAQJH-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028537118 720986609 /nfs/dbraw/zinc/98/66/09/720986609.db2.gz HJHPYOVZFXAQJH-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028537693 720987177 /nfs/dbraw/zinc/98/71/77/720987177.db2.gz QESYSQQDUOVMOZ-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001028537693 720987179 /nfs/dbraw/zinc/98/71/79/720987179.db2.gz QESYSQQDUOVMOZ-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001028537938 720987816 /nfs/dbraw/zinc/98/78/16/720987816.db2.gz VQPIVVLXHLVTNS-FUHWJXTLSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001028537938 720987818 /nfs/dbraw/zinc/98/78/18/720987818.db2.gz VQPIVVLXHLVTNS-FUHWJXTLSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537886 720988330 /nfs/dbraw/zinc/98/83/30/720988330.db2.gz UPFWZZIXVNUTRR-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537886 720988334 /nfs/dbraw/zinc/98/83/34/720988334.db2.gz UPFWZZIXVNUTRR-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001026727436 720992536 /nfs/dbraw/zinc/99/25/36/720992536.db2.gz OCSQXDJJFVGLFG-QUCCMNQESA-N 1 3 343.515 2.644 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001026734911 721004995 /nfs/dbraw/zinc/00/49/95/721004995.db2.gz WMAUKNKCWOLJIG-YLJYHZDGSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026734272 721008662 /nfs/dbraw/zinc/00/86/62/721008662.db2.gz MFAFPUGGVZOORH-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026734873 721010466 /nfs/dbraw/zinc/01/04/66/721010466.db2.gz VWBOIBUYHJFRCB-QZTJIDSGSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028580348 721109615 /nfs/dbraw/zinc/10/96/15/721109615.db2.gz URVZSAFSSBOIFR-FUHWJXTLSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028580348 721109617 /nfs/dbraw/zinc/10/96/17/721109617.db2.gz URVZSAFSSBOIFR-FUHWJXTLSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580485 721110970 /nfs/dbraw/zinc/11/09/70/721110970.db2.gz XBDCHEASNPPQSO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580485 721110971 /nfs/dbraw/zinc/11/09/71/721110971.db2.gz XBDCHEASNPPQSO-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028580596 721111508 /nfs/dbraw/zinc/11/15/08/721111508.db2.gz ZKHJTWVCSQRQGW-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028580596 721111510 /nfs/dbraw/zinc/11/15/10/721111510.db2.gz ZKHJTWVCSQRQGW-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587809 721181090 /nfs/dbraw/zinc/18/10/90/721181090.db2.gz QELABLSVRZEWIZ-WMZOPIPTSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587809 721181093 /nfs/dbraw/zinc/18/10/93/721181093.db2.gz QELABLSVRZEWIZ-WMZOPIPTSA-N 1 3 349.544 2.664 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cccc4c3NCCC4)CC2)CC1 ZINC000894211084 721256327 /nfs/dbraw/zinc/25/63/27/721256327.db2.gz LIYOYDFFZFLCLB-UHFFFAOYSA-N 1 3 342.531 2.693 20 0 EFADHO CC1(C)C[N@H+](CC2CC2)C[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000974685100 721287311 /nfs/dbraw/zinc/28/73/11/721287311.db2.gz TWJKQGKNRMCBQF-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC1(C)C[N@@H+](CC2CC2)C[C@@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000974685100 721287316 /nfs/dbraw/zinc/28/73/16/721287316.db2.gz TWJKQGKNRMCBQF-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001026885156 721293796 /nfs/dbraw/zinc/29/37/96/721293796.db2.gz GKTLTDAHHHQMFS-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001026889053 721297153 /nfs/dbraw/zinc/29/71/53/721297153.db2.gz RJJLCGRCUQTZTD-QUCCMNQESA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001026889054 721297505 /nfs/dbraw/zinc/29/75/05/721297505.db2.gz RJJLCGRCUQTZTD-UYAOXDASSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001026889070 721297561 /nfs/dbraw/zinc/29/75/61/721297561.db2.gz RMMBOBNVSZOKKX-PKOBYXMFSA-N 1 3 349.563 2.981 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886392 721304916 /nfs/dbraw/zinc/30/49/16/721304916.db2.gz VWYQPTGFOHCARJ-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887285 721306510 /nfs/dbraw/zinc/30/65/10/721306510.db2.gz NZBLQAWRRHKOCJ-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026887287 721306632 /nfs/dbraw/zinc/30/66/32/721306632.db2.gz NZBLQAWRRHKOCJ-YLJYHZDGSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887747 721307650 /nfs/dbraw/zinc/30/76/50/721307650.db2.gz ULYIPFGPGRGKHJ-XLIONFOSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026900729 721312061 /nfs/dbraw/zinc/31/20/61/721312061.db2.gz BAUQPIUVBWQZQZ-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001026901371 721312640 /nfs/dbraw/zinc/31/26/40/721312640.db2.gz NXEWLEADLHQEHE-OALUTQOASA-N 1 3 349.494 2.680 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC000985647493 724753778 /nfs/dbraw/zinc/75/37/78/724753778.db2.gz RDVIORMWTGXXPE-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000985647493 724753779 /nfs/dbraw/zinc/75/37/79/724753779.db2.gz RDVIORMWTGXXPE-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1 ZINC000985647482 724753806 /nfs/dbraw/zinc/75/38/06/724753806.db2.gz QRQALPPUPXESQH-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC000985647482 724753807 /nfs/dbraw/zinc/75/38/07/724753807.db2.gz QRQALPPUPXESQH-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000985647439 724754304 /nfs/dbraw/zinc/75/43/04/724754304.db2.gz QEMZVEJROYZVOA-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000985647439 724754306 /nfs/dbraw/zinc/75/43/06/724754306.db2.gz QEMZVEJROYZVOA-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCN(C)C1 ZINC000893395245 721374687 /nfs/dbraw/zinc/37/46/87/721374687.db2.gz MLOFTQQSMBTHSE-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCc2cccs2)CC1)N(C)C ZINC000985655332 724763846 /nfs/dbraw/zinc/76/38/46/724763846.db2.gz IYCFXWJIRGTRCC-KRWDZBQOSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1)N(C)C ZINC000985655332 724763851 /nfs/dbraw/zinc/76/38/51/724763851.db2.gz IYCFXWJIRGTRCC-KRWDZBQOSA-N 1 3 337.533 2.554 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC000985655581 724766054 /nfs/dbraw/zinc/76/60/54/724766054.db2.gz UCYOLYSVXWHUTB-OAHLLOKOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC000985655581 724766056 /nfs/dbraw/zinc/76/60/56/724766056.db2.gz UCYOLYSVXWHUTB-OAHLLOKOSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)Cc3ccccc3F)CC2)C1 ZINC000985656257 724766830 /nfs/dbraw/zinc/76/68/30/724766830.db2.gz WSRDRUIERXVFHA-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)Cc3ccccc3F)CC2)C1 ZINC000985656257 724766831 /nfs/dbraw/zinc/76/68/31/724766831.db2.gz WSRDRUIERXVFHA-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852580 724773386 /nfs/dbraw/zinc/77/33/86/724773386.db2.gz FIYHLKLXZIOIHC-DLBZAZTESA-N 1 3 340.471 2.802 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852580 724773390 /nfs/dbraw/zinc/77/33/90/724773390.db2.gz FIYHLKLXZIOIHC-DLBZAZTESA-N 1 3 340.471 2.802 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853054 724774954 /nfs/dbraw/zinc/77/49/54/724774954.db2.gz KMDGTJUCQFONFG-LSDHHAIUSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853054 724774959 /nfs/dbraw/zinc/77/49/59/724774959.db2.gz KMDGTJUCQFONFG-LSDHHAIUSA-N 1 3 344.434 2.633 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029853067 724775133 /nfs/dbraw/zinc/77/51/33/724775133.db2.gz KRRBDLJIDQXENW-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029853067 724775136 /nfs/dbraw/zinc/77/51/36/724775136.db2.gz KRRBDLJIDQXENW-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853132 724775178 /nfs/dbraw/zinc/77/51/78/724775178.db2.gz MIQVRBPLEPYCGI-CABCVRRESA-N 1 3 344.434 2.633 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853132 724775181 /nfs/dbraw/zinc/77/51/81/724775181.db2.gz MIQVRBPLEPYCGI-CABCVRRESA-N 1 3 344.434 2.633 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674808 724784681 /nfs/dbraw/zinc/78/46/81/724784681.db2.gz JSXHRURLWHZNQU-CQSZACIVSA-N 1 3 344.434 2.775 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674808 724784684 /nfs/dbraw/zinc/78/46/84/724784684.db2.gz JSXHRURLWHZNQU-CQSZACIVSA-N 1 3 344.434 2.775 20 0 EFADHO C[N@H+]([C@H]1CCc2ccccc21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674386 724785220 /nfs/dbraw/zinc/78/52/20/724785220.db2.gz BHERQQUJOOBZKY-IBGZPJMESA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@H]1CCc2ccccc21)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674386 724785223 /nfs/dbraw/zinc/78/52/23/724785223.db2.gz BHERQQUJOOBZKY-IBGZPJMESA-N 1 3 338.455 2.563 20 0 EFADHO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675852 724786241 /nfs/dbraw/zinc/78/62/41/724786241.db2.gz XDJGPEGMOLMWGJ-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675852 724786244 /nfs/dbraw/zinc/78/62/44/724786244.db2.gz XDJGPEGMOLMWGJ-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001028779069 721982040 /nfs/dbraw/zinc/98/20/40/721982040.db2.gz UDCRNBQNNSKQPG-INIZCTEOSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780700 721985628 /nfs/dbraw/zinc/98/56/28/721985628.db2.gz MMWFIDRBJBCFBL-CVEARBPZSA-N 1 3 347.478 2.667 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894299266 722003663 /nfs/dbraw/zinc/00/36/63/722003663.db2.gz LESROAPFAVQMMJ-JUFRUHRKSA-N 1 3 330.472 2.622 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894299266 722003665 /nfs/dbraw/zinc/00/36/65/722003665.db2.gz LESROAPFAVQMMJ-JUFRUHRKSA-N 1 3 330.472 2.622 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCN(C/C=C/Cl)C2)cc1 ZINC001028870890 722063140 /nfs/dbraw/zinc/06/31/40/722063140.db2.gz XWGVKEHQRSWSDG-CFZDNBDDSA-N 1 3 335.879 2.552 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)CC1 ZINC001028902136 722084276 /nfs/dbraw/zinc/08/42/76/722084276.db2.gz OULVRNVJEPAGRB-MRXNPFEDSA-N 1 3 349.544 2.807 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028919417 722097026 /nfs/dbraw/zinc/09/70/26/722097026.db2.gz WKASTGZCGYVAQG-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028919417 722097028 /nfs/dbraw/zinc/09/70/28/722097028.db2.gz WKASTGZCGYVAQG-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000788 722617325 /nfs/dbraw/zinc/61/73/25/722617325.db2.gz JNYAFGGYTQFBJX-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000788 722617326 /nfs/dbraw/zinc/61/73/26/722617326.db2.gz JNYAFGGYTQFBJX-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](CNC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001029000487 722617630 /nfs/dbraw/zinc/61/76/30/722617630.db2.gz FVZUECIBEWXRLM-CUYAVPTFSA-N 1 3 343.515 2.846 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](CNC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001029000487 722617632 /nfs/dbraw/zinc/61/76/32/722617632.db2.gz FVZUECIBEWXRLM-CUYAVPTFSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000952 722617678 /nfs/dbraw/zinc/61/76/78/722617678.db2.gz MNMOQCGYQXKSJP-JKSUJKDBSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000952 722617679 /nfs/dbraw/zinc/61/76/79/722617679.db2.gz MNMOQCGYQXKSJP-JKSUJKDBSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000477 722617687 /nfs/dbraw/zinc/61/76/87/722617687.db2.gz FNEXKLBZLKAUSP-WMZOPIPTSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000477 722617688 /nfs/dbraw/zinc/61/76/88/722617688.db2.gz FNEXKLBZLKAUSP-WMZOPIPTSA-N 1 3 331.504 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001029002943 722621143 /nfs/dbraw/zinc/62/11/43/722621143.db2.gz FAJIOZYLDZNUBP-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001029002943 722621144 /nfs/dbraw/zinc/62/11/44/722621144.db2.gz FAJIOZYLDZNUBP-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261961177 722633184 /nfs/dbraw/zinc/63/31/84/722633184.db2.gz PISLWFHVUYGNJB-LJQANCHMSA-N 1 3 339.487 2.848 20 0 EFADHO CCN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCN(C)C1 ZINC000925062918 722688735 /nfs/dbraw/zinc/68/87/35/722688735.db2.gz RXLMITQMWQQOQQ-TVRKMHQQSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065796 722725974 /nfs/dbraw/zinc/72/59/74/722725974.db2.gz KNWNFQHCQIYIAC-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065794 722725983 /nfs/dbraw/zinc/72/59/83/722725983.db2.gz KNWNFQHCQIYIAC-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066581 722727570 /nfs/dbraw/zinc/72/75/70/722727570.db2.gz XEFXOISIMJSQCB-VQIMIIECSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000939132692 728758162 /nfs/dbraw/zinc/75/81/62/728758162.db2.gz KEZRPWYHEZKOKS-SJLPKXTDSA-N 1 3 333.520 2.655 20 0 EFADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000894477434 722751526 /nfs/dbraw/zinc/75/15/26/722751526.db2.gz QYFMJFMHBFQROU-INIZCTEOSA-N 1 3 334.435 2.776 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCC1CCCC1 ZINC000939137924 728762947 /nfs/dbraw/zinc/76/29/47/728762947.db2.gz PKGZIJXEIXFNIX-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO COCCOC[C@@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000894554380 722781113 /nfs/dbraw/zinc/78/11/13/722781113.db2.gz ANEHXBLXXYWSKO-QUCCMNQESA-N 1 3 334.504 2.930 20 0 EFADHO COC[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894616134 722797696 /nfs/dbraw/zinc/79/76/96/722797696.db2.gz DQNKHYPTYBBNTI-AZUAARDMSA-N 1 3 334.504 2.522 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CCCN(C)C1)[NH+](C)C ZINC000894753135 722836686 /nfs/dbraw/zinc/83/66/86/722836686.db2.gz HNHNHBKLOYXCMN-AOIWGVFYSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC000983662066 722846760 /nfs/dbraw/zinc/84/67/60/722846760.db2.gz PRYUOOZTHKGWNT-UFYCRDLUSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1)N1CCCCC1 ZINC000983674025 722858851 /nfs/dbraw/zinc/85/88/51/722858851.db2.gz DJIWDOYIDDQMCZ-QAQDUYKDSA-N 1 3 349.544 2.997 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108814 722879183 /nfs/dbraw/zinc/87/91/83/722879183.db2.gz RKNDJKWRCPYPMN-AQFXKWCLSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001029111198 722883201 /nfs/dbraw/zinc/88/32/01/722883201.db2.gz CVKOJPPQGDFGEU-DNVCBOLYSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001029144365 722922641 /nfs/dbraw/zinc/92/26/41/722922641.db2.gz IJDMGKFXTLDBFP-QAPCUYQASA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143394 722924046 /nfs/dbraw/zinc/92/40/46/722924046.db2.gz HESDSQSAIXHCLL-LXPRWKDFSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001029147343 722925440 /nfs/dbraw/zinc/92/54/40/722925440.db2.gz QJBRNQGPWAYGAF-HNAYVOBHSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150749 722928457 /nfs/dbraw/zinc/92/84/57/722928457.db2.gz SEOBZVNHQSYGAY-AWEZNQCLSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001029171213 722938604 /nfs/dbraw/zinc/93/86/04/722938604.db2.gz BKTPOCNSLXGZNK-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173199 722940903 /nfs/dbraw/zinc/94/09/03/722940903.db2.gz KXFWBVOCDPPIMB-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)(C(=O)OC)c1ccccc1 ZINC000894947079 723032539 /nfs/dbraw/zinc/03/25/39/723032539.db2.gz LMLJGWOIYDRDAM-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO CC[C@](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)(C(=O)OC)c1ccccc1 ZINC000894947079 723032541 /nfs/dbraw/zinc/03/25/41/723032541.db2.gz LMLJGWOIYDRDAM-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO CC[C@](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)(C(=O)OC)c1ccccc1 ZINC000894947079 723032544 /nfs/dbraw/zinc/03/25/44/723032544.db2.gz LMLJGWOIYDRDAM-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(O)c(F)c3)CC2)CC1 ZINC000894978911 723042308 /nfs/dbraw/zinc/04/23/08/723042308.db2.gz QFWFPEVOOVBGPP-UHFFFAOYSA-N 1 3 335.467 2.523 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(O)c(F)c3)CC2)CC1 ZINC000894978911 723042309 /nfs/dbraw/zinc/04/23/09/723042309.db2.gz QFWFPEVOOVBGPP-UHFFFAOYSA-N 1 3 335.467 2.523 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000896033514 723102317 /nfs/dbraw/zinc/10/23/17/723102317.db2.gz NUZTVRXCFRYVKA-PKOBYXMFSA-N 1 3 347.503 2.723 20 0 EFADHO CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCC([NH3+])CC1 ZINC000237228105 723325406 /nfs/dbraw/zinc/32/54/06/723325406.db2.gz NQLRGIDMZPKUNQ-IVMQYODDSA-N 1 3 347.478 2.766 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)CC[N@@H+]1C ZINC001029313739 723337957 /nfs/dbraw/zinc/33/79/57/723337957.db2.gz MQRYEGVESNEQEL-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)CC[N@H+]1C ZINC001029313739 723337963 /nfs/dbraw/zinc/33/79/63/723337963.db2.gz MQRYEGVESNEQEL-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029329754 723358093 /nfs/dbraw/zinc/35/80/93/723358093.db2.gz GAVVPLSAJQUWKC-CEXWTWQISA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029329754 723358098 /nfs/dbraw/zinc/35/80/98/723358098.db2.gz GAVVPLSAJQUWKC-CEXWTWQISA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000939211679 728819092 /nfs/dbraw/zinc/81/90/92/728819092.db2.gz URXVUSFAAOCQLK-YOEHRIQHSA-N 1 3 332.492 2.605 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000939208483 728816426 /nfs/dbraw/zinc/81/64/26/728816426.db2.gz CPICUUYPDGVDMR-YJBOKZPZSA-N 1 3 332.492 2.749 20 0 EFADHO COC[C@@H](CCO)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925112063 723389228 /nfs/dbraw/zinc/38/92/28/723389228.db2.gz SHYVWRWSPCTKQA-XUBOLADHSA-N 1 3 332.488 2.559 20 0 EFADHO COC[C@@H](CCO)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925112063 723389230 /nfs/dbraw/zinc/38/92/30/723389230.db2.gz SHYVWRWSPCTKQA-XUBOLADHSA-N 1 3 332.488 2.559 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC000939209522 728817083 /nfs/dbraw/zinc/81/70/83/728817083.db2.gz GYZIQZUCARQJSG-KXBFYZLASA-N 1 3 340.471 2.541 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000896631389 723413973 /nfs/dbraw/zinc/41/39/73/723413973.db2.gz PLGQWKCGMYEXSC-MNEFBYGVSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000896631389 723413976 /nfs/dbraw/zinc/41/39/76/723413976.db2.gz PLGQWKCGMYEXSC-MNEFBYGVSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000896657611 723427096 /nfs/dbraw/zinc/42/70/96/723427096.db2.gz MGVANVNQWNOBHF-QAPCUYQASA-N 1 3 349.519 2.827 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CCCC1 ZINC001038443766 723435204 /nfs/dbraw/zinc/43/52/04/723435204.db2.gz JENJUERFXKVGHU-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1CCCC1 ZINC001038443766 723435206 /nfs/dbraw/zinc/43/52/06/723435206.db2.gz JENJUERFXKVGHU-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(CN(C)C)cc2OC)C1 ZINC000909474699 723468556 /nfs/dbraw/zinc/46/85/56/723468556.db2.gz HMSQCHCQDIVATJ-INIZCTEOSA-N 1 3 333.476 2.817 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(CN(C)C)cc2OC)C1 ZINC000909474699 723468560 /nfs/dbraw/zinc/46/85/60/723468560.db2.gz HMSQCHCQDIVATJ-INIZCTEOSA-N 1 3 333.476 2.817 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1cccc(F)c1 ZINC000984800087 723494434 /nfs/dbraw/zinc/49/44/34/723494434.db2.gz MUZRPBINJYAKST-YKTARERQSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC000984799827 723494490 /nfs/dbraw/zinc/49/44/90/723494490.db2.gz KWYWNHQAMOEAIC-YYAJDYIMSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000984799828 723494678 /nfs/dbraw/zinc/49/46/78/723494678.db2.gz KZEBNFJNIKLHGN-BHIYHBOVSA-N 1 3 347.547 2.926 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000984800715 723495035 /nfs/dbraw/zinc/49/50/35/723495035.db2.gz SIVRAXZOKAAQJT-NSISKUIASA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC000984801005 723495132 /nfs/dbraw/zinc/49/51/32/723495132.db2.gz WEAWERLMWCAYOP-DWRORGKVSA-N 1 3 329.488 2.716 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000984804150 723495961 /nfs/dbraw/zinc/49/59/61/723495961.db2.gz LXBFANLCEXILQQ-VDGAXYAQSA-N 1 3 343.515 2.575 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000984804649 723496475 /nfs/dbraw/zinc/49/64/75/723496475.db2.gz PYQFXJDAVMPMPK-ZWOKBUDYSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC000984806077 723496712 /nfs/dbraw/zinc/49/67/12/723496712.db2.gz XAKQQXRFVHWORW-OWQGQXMQSA-N 1 3 349.544 2.691 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984802463 723499809 /nfs/dbraw/zinc/49/98/09/723499809.db2.gz AYVOPSQJUSURFY-NXWXRZEISA-N 1 3 343.515 2.882 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC000984802837 723500721 /nfs/dbraw/zinc/50/07/21/723500721.db2.gz CUQFGZLZPPQYTL-RCJHGTSTSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC000984802887 723500812 /nfs/dbraw/zinc/50/08/12/723500812.db2.gz FBCGNLJJTWRYNH-DWRORGKVSA-N 1 3 329.488 2.574 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000984887578 723537273 /nfs/dbraw/zinc/53/72/73/723537273.db2.gz KANMDFDKEUZSLI-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000984887574 723537379 /nfs/dbraw/zinc/53/73/79/723537379.db2.gz KANMDFDKEUZSLI-FHWLQOOXSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029503573 723581484 /nfs/dbraw/zinc/58/14/84/723581484.db2.gz ZJMCKXSFZWSTPL-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029503573 723581485 /nfs/dbraw/zinc/58/14/85/723581485.db2.gz ZJMCKXSFZWSTPL-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CN(C(=S)NCC(C)(C)C[NH+](C)C)C1CCN(C)CC1 ZINC000727080463 723792885 /nfs/dbraw/zinc/79/28/85/723792885.db2.gz SPAPQHAFHNKVIK-UHFFFAOYSA-N 1 3 342.597 2.501 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000985074776 723817891 /nfs/dbraw/zinc/81/78/91/723817891.db2.gz ZPSFKGFSNTUZMO-QAQDUYKDSA-N 1 3 344.503 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000985074618 723818123 /nfs/dbraw/zinc/81/81/23/723818123.db2.gz YPOJIRSGZSEGGU-QRTARXTBSA-N 1 3 326.444 2.506 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC000985075288 723818924 /nfs/dbraw/zinc/81/89/24/723818924.db2.gz GROJEUYIROVNIM-RZDIXWSQSA-N 1 3 340.471 2.508 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029550192 723869457 /nfs/dbraw/zinc/86/94/57/723869457.db2.gz DFHAUARFKBGEJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029550192 723869458 /nfs/dbraw/zinc/86/94/58/723869458.db2.gz DFHAUARFKBGEJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029550192 723869460 /nfs/dbraw/zinc/86/94/60/723869460.db2.gz DFHAUARFKBGEJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029550192 723869461 /nfs/dbraw/zinc/86/94/61/723869461.db2.gz DFHAUARFKBGEJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029553454 723877601 /nfs/dbraw/zinc/87/76/01/723877601.db2.gz UKJUOZAPWVXCQP-QRVBRYPASA-N 1 3 331.504 2.504 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)C1 ZINC001029553454 723877603 /nfs/dbraw/zinc/87/76/03/723877603.db2.gz UKJUOZAPWVXCQP-QRVBRYPASA-N 1 3 331.504 2.504 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cs1 ZINC000985148408 723885672 /nfs/dbraw/zinc/88/56/72/723885672.db2.gz IONZGBROCZYPOY-JDBBQHCESA-N 1 3 349.544 2.914 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000985149288 723886666 /nfs/dbraw/zinc/88/66/66/723886666.db2.gz NOHJDJGKZZYWON-IHPCNDPISA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000985149805 723887208 /nfs/dbraw/zinc/88/72/08/723887208.db2.gz PVQZHELFMZNDOM-CAMMJAKZSA-N 1 3 329.488 2.544 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000985149689 723887312 /nfs/dbraw/zinc/88/73/12/723887312.db2.gz OIPBINGUHCKPGF-WDSOQIARSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985151449 723887645 /nfs/dbraw/zinc/88/76/45/723887645.db2.gz XUNSLGIXFMKFRW-CAMMJAKZSA-N 1 3 335.536 2.924 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000985150980 723889766 /nfs/dbraw/zinc/88/97/66/723889766.db2.gz VBQOAQGAWXOMQK-ULQDDVLXSA-N 1 3 335.517 2.607 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)N(C)C ZINC000895292358 723994728 /nfs/dbraw/zinc/99/47/28/723994728.db2.gz FRAJBMDGZUDKGA-BZUAXINKSA-N 1 3 327.513 2.952 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCC[C@H](C)[NH+](C)C ZINC000895292937 724002861 /nfs/dbraw/zinc/00/28/61/724002861.db2.gz DSQWMLKEKYBXPA-STQMWFEESA-N 1 3 341.883 2.996 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H](C)N(C)C ZINC000895292937 724002862 /nfs/dbraw/zinc/00/28/62/724002862.db2.gz DSQWMLKEKYBXPA-STQMWFEESA-N 1 3 341.883 2.996 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)N1CCCC1 ZINC001029419376 724002999 /nfs/dbraw/zinc/00/29/99/724002999.db2.gz NOXVTLGAENOHPA-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)N1CCCC1 ZINC001029419376 724003001 /nfs/dbraw/zinc/00/30/01/724003001.db2.gz NOXVTLGAENOHPA-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727468727 724065019 /nfs/dbraw/zinc/06/50/19/724065019.db2.gz NCSJKEICSBGGSX-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)C1 ZINC001029437027 724116666 /nfs/dbraw/zinc/11/66/66/724116666.db2.gz RPGQKDOQISCABF-XDNAFOTISA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)C1 ZINC001029437027 724116668 /nfs/dbraw/zinc/11/66/68/724116668.db2.gz RPGQKDOQISCABF-XDNAFOTISA-N 1 3 339.499 2.532 20 0 EFADHO CCc1cccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327170 724128543 /nfs/dbraw/zinc/12/85/43/724128543.db2.gz DDUDEQKELXOCSU-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327170 724128544 /nfs/dbraw/zinc/12/85/44/724128544.db2.gz DDUDEQKELXOCSU-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC000985331516 724130691 /nfs/dbraw/zinc/13/06/91/724130691.db2.gz HEFCQMBLAJJSAW-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC000985331516 724130693 /nfs/dbraw/zinc/13/06/93/724130693.db2.gz HEFCQMBLAJJSAW-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985332508 724134579 /nfs/dbraw/zinc/13/45/79/724134579.db2.gz QQHOKPRHOIOMPR-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985332508 724134582 /nfs/dbraw/zinc/13/45/82/724134582.db2.gz QQHOKPRHOIOMPR-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333150 724139334 /nfs/dbraw/zinc/13/93/34/724139334.db2.gz YTHCEHXUDBFVEP-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333150 724139335 /nfs/dbraw/zinc/13/93/35/724139335.db2.gz YTHCEHXUDBFVEP-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@@H+]1C ZINC001029440698 724151391 /nfs/dbraw/zinc/15/13/91/724151391.db2.gz KFJDDCNYMRFIJO-FRYIKTPZSA-N 1 3 345.531 2.892 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC[N@H+]1C ZINC001029440698 724151392 /nfs/dbraw/zinc/15/13/92/724151392.db2.gz KFJDDCNYMRFIJO-FRYIKTPZSA-N 1 3 345.531 2.892 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC1 ZINC001029453282 724277973 /nfs/dbraw/zinc/27/79/73/724277973.db2.gz QADFGRSBZAABFN-KDURUIRLSA-N 1 3 331.504 2.504 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000895786372 724313556 /nfs/dbraw/zinc/31/35/56/724313556.db2.gz UZEAKJWVOVOIOY-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029674487 724366041 /nfs/dbraw/zinc/36/60/41/724366041.db2.gz GZGJXISNXJPWSK-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029674487 724366045 /nfs/dbraw/zinc/36/60/45/724366045.db2.gz GZGJXISNXJPWSK-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789084 724886558 /nfs/dbraw/zinc/88/65/58/724886558.db2.gz HJVVTFLFWFAPOO-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789084 724886562 /nfs/dbraw/zinc/88/65/62/724886562.db2.gz HJVVTFLFWFAPOO-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000985791604 724888941 /nfs/dbraw/zinc/88/89/41/724888941.db2.gz LSBSBTWVEJBRDK-INIZCTEOSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(CN(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000985791604 724888942 /nfs/dbraw/zinc/88/89/42/724888942.db2.gz LSBSBTWVEJBRDK-INIZCTEOSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001029992260 724949589 /nfs/dbraw/zinc/94/95/89/724949589.db2.gz QMIYBGBIRGDLHB-NKELODKYSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001029992260 724949590 /nfs/dbraw/zinc/94/95/90/724949590.db2.gz QMIYBGBIRGDLHB-NKELODKYSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C ZINC000986936368 724960829 /nfs/dbraw/zinc/96/08/29/724960829.db2.gz HOXXSCPRSOOYQD-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986937143 724961093 /nfs/dbraw/zinc/96/10/93/724961093.db2.gz IIJGXFIUFNWNHT-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001029875514 724974888 /nfs/dbraw/zinc/97/48/88/724974888.db2.gz LKUJWTKZDPNHCT-SFHVURJKSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001029875514 724974891 /nfs/dbraw/zinc/97/48/91/724974891.db2.gz LKUJWTKZDPNHCT-SFHVURJKSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029995416 724982344 /nfs/dbraw/zinc/98/23/44/724982344.db2.gz JMZGDNIEVAENKC-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029995416 724982345 /nfs/dbraw/zinc/98/23/45/724982345.db2.gz JMZGDNIEVAENKC-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000918862209 728936665 /nfs/dbraw/zinc/93/66/65/728936665.db2.gz WEIRPYRMGOOMIG-GOSISDBHSA-N 1 3 344.503 2.607 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013221 725434210 /nfs/dbraw/zinc/43/42/10/725434210.db2.gz BLWPONVMXIKCDA-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013221 725434212 /nfs/dbraw/zinc/43/42/12/725434212.db2.gz BLWPONVMXIKCDA-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO Cc1cccc(C[N@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001030013689 725437687 /nfs/dbraw/zinc/43/76/87/725437687.db2.gz PMQVOTJRBRYGJR-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1cccc(C[N@@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001030013689 725437688 /nfs/dbraw/zinc/43/76/88/725437688.db2.gz PMQVOTJRBRYGJR-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)c(C)c1 ZINC000987060651 725471138 /nfs/dbraw/zinc/47/11/38/725471138.db2.gz VWRHRHPKHOUKCV-APWZRJJASA-N 1 3 340.471 2.657 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252025 725612429 /nfs/dbraw/zinc/61/24/29/725612429.db2.gz DAMSWGCTGQQAND-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255383 725613933 /nfs/dbraw/zinc/61/39/33/725613933.db2.gz OPEQRKOTVPQLHE-DOTOQJQBSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255318 725614019 /nfs/dbraw/zinc/61/40/19/725614019.db2.gz OAPSBWMOKIJWRD-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC000948055522 725654334 /nfs/dbraw/zinc/65/43/34/725654334.db2.gz CZZVPLUKQROLLH-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC000948055522 725654336 /nfs/dbraw/zinc/65/43/36/725654336.db2.gz CZZVPLUKQROLLH-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)CN1CCCC1 ZINC000987530000 725736328 /nfs/dbraw/zinc/73/63/28/725736328.db2.gz FXUKPYZRUZEHOM-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521286 725738099 /nfs/dbraw/zinc/73/80/99/725738099.db2.gz ZUUHRJGUGXSVCD-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987521288 725738217 /nfs/dbraw/zinc/73/82/17/725738217.db2.gz ZUUHRJGUGXSVCD-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987523850 725739335 /nfs/dbraw/zinc/73/93/35/725739335.db2.gz KRGHCKMXEFXVMA-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC000987532385 725741137 /nfs/dbraw/zinc/74/11/37/725741137.db2.gz PSTXUYCOBXQHBI-MAUKXSAKSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CN1CCCC1 ZINC000987533765 725741279 /nfs/dbraw/zinc/74/12/79/725741279.db2.gz TXFYEUKWEHWOPF-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569258 725759462 /nfs/dbraw/zinc/75/94/62/725759462.db2.gz WQTCUOVBEBAZAZ-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987571561 725760898 /nfs/dbraw/zinc/76/08/98/725760898.db2.gz QWLFJMWDWFMYAX-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992512362 725916632 /nfs/dbraw/zinc/91/66/32/725916632.db2.gz RYWDJJRXPJCSAQ-AZUAARDMSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992512362 725916635 /nfs/dbraw/zinc/91/66/35/725916635.db2.gz RYWDJJRXPJCSAQ-AZUAARDMSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]21 ZINC000992814905 726257071 /nfs/dbraw/zinc/25/70/71/726257071.db2.gz JOSDYYXDQJDHGI-RCCFBDPRSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000925280958 726260714 /nfs/dbraw/zinc/26/07/14/726260714.db2.gz CBOTYMQRXRJZLS-WOJBJXKFSA-N 1 3 337.552 2.730 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC000992921933 726340038 /nfs/dbraw/zinc/34/00/38/726340038.db2.gz DSXCCJONZYLLCI-YTQUADARSA-N 1 3 347.478 2.548 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731677486 726916521 /nfs/dbraw/zinc/91/65/21/726916521.db2.gz SBHUPPGGVDJJTB-UHFFFAOYSA-N 1 3 345.531 2.907 20 0 EFADHO C[C@H]1CCC(C)(C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493458 727080257 /nfs/dbraw/zinc/08/02/57/727080257.db2.gz UPLZQEGDRADAOM-HNNXBMFYSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908191194 727127131 /nfs/dbraw/zinc/12/71/31/727127131.db2.gz RGGFYQDMXGFZLP-QAPCUYQASA-N 1 3 340.471 2.990 20 0 EFADHO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccncc1 ZINC000908238934 727139200 /nfs/dbraw/zinc/13/92/00/727139200.db2.gz UDPMMAGUIAUEMJ-UHFFFAOYSA-N 1 3 346.519 2.626 20 0 EFADHO Cn1nc(Br)cc1CN[C@H](CCC[NH3+])c1ccccc1 ZINC000841088098 727355804 /nfs/dbraw/zinc/35/58/04/727355804.db2.gz WZAYZNJCQUFQGS-CQSZACIVSA-N 1 3 337.265 2.752 20 0 EFADHO CCC[C@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000912418484 727710064 /nfs/dbraw/zinc/71/00/64/727710064.db2.gz HORDQQMWGKMJIV-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCF ZINC000994464538 727761197 /nfs/dbraw/zinc/76/11/97/727761197.db2.gz OGZSDZNIXCCSAW-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCF ZINC000994464538 727761198 /nfs/dbraw/zinc/76/11/98/727761198.db2.gz OGZSDZNIXCCSAW-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc2c(c1)CCO2 ZINC000154268210 727762386 /nfs/dbraw/zinc/76/23/86/727762386.db2.gz NWVMRUGLWAFEOD-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc2c1OCO2 ZINC000925437101 727795920 /nfs/dbraw/zinc/79/59/20/727795920.db2.gz JTBBFNFBPDPMSF-OWCLPIDISA-N 1 3 334.460 2.955 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1)N1CCCC1 ZINC000995051818 727923219 /nfs/dbraw/zinc/92/32/19/727923219.db2.gz COPJXMXLNLQQBN-RDJZCZTQSA-N 1 3 349.544 2.997 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183039211 727933175 /nfs/dbraw/zinc/93/31/75/727933175.db2.gz GDWVYAKMNXVSBU-KDOFPFPSSA-N 1 3 332.492 2.529 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000183254915 728012201 /nfs/dbraw/zinc/01/22/01/728012201.db2.gz ONMISJBCCHSIGZ-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000183254915 728012206 /nfs/dbraw/zinc/01/22/06/728012206.db2.gz ONMISJBCCHSIGZ-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN1CCCC1 ZINC000165339301 728033992 /nfs/dbraw/zinc/03/39/92/728033992.db2.gz IMQZJXGBPOQKBT-INIZCTEOSA-N 1 3 346.475 2.885 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)NCC2(C)OCCO2)ccc1OC ZINC000183422167 728069664 /nfs/dbraw/zinc/06/96/64/728069664.db2.gz WLWLOUZPAFQLHI-HNNXBMFYSA-N 1 3 336.476 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000995186889 728222495 /nfs/dbraw/zinc/22/24/95/728222495.db2.gz QJWMTCVQRLXYHS-HOCLYGCPSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000995187558 728224750 /nfs/dbraw/zinc/22/47/50/728224750.db2.gz SVZOSBGQIWYNMP-HOCLYGCPSA-N 1 3 346.500 2.705 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C)N1CCCCC1 ZINC000940744340 728229592 /nfs/dbraw/zinc/22/95/92/728229592.db2.gz JGZSHSYXICEWNK-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C)N1CCCCC1 ZINC000940744340 728229595 /nfs/dbraw/zinc/22/95/95/728229595.db2.gz JGZSHSYXICEWNK-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259981 728386451 /nfs/dbraw/zinc/38/64/51/728386451.db2.gz VATZLMZJMYYEEX-NVXWUHKLSA-N 1 3 347.528 2.703 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040848148 729088836 /nfs/dbraw/zinc/08/88/36/729088836.db2.gz FHDFHJRIMPXRCG-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040848145 729089049 /nfs/dbraw/zinc/08/90/49/729089049.db2.gz FHDFHJRIMPXRCG-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CNC(=O)c1ccc(C[N@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000919880851 729103396 /nfs/dbraw/zinc/10/33/96/729103396.db2.gz VNFYBPDHSHXWPE-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CNC(=O)c1ccc(C[N@@H+](CCCN2CCCCC2)C2CC2)cc1 ZINC000919880851 729103399 /nfs/dbraw/zinc/10/33/99/729103399.db2.gz VNFYBPDHSHXWPE-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCC1CC1 ZINC000939806240 729129584 /nfs/dbraw/zinc/12/95/84/729129584.db2.gz DVKMMISMZUBCRQ-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CCC1 ZINC000939807494 729131159 /nfs/dbraw/zinc/13/11/59/729131159.db2.gz ZARBLTSHRGMIDQ-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031666538 729198835 /nfs/dbraw/zinc/19/88/35/729198835.db2.gz PRVOKGXIYLJVOY-FAFZWHIHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031665836 729199803 /nfs/dbraw/zinc/19/98/03/729199803.db2.gz IWSVXRRWNTUYOY-APWZRJJASA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031665836 729199806 /nfs/dbraw/zinc/19/98/06/729199806.db2.gz IWSVXRRWNTUYOY-APWZRJJASA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031665837 729199937 /nfs/dbraw/zinc/19/99/37/729199937.db2.gz IWSVXRRWNTUYOY-LPHOPBHVSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031665837 729199939 /nfs/dbraw/zinc/19/99/39/729199939.db2.gz IWSVXRRWNTUYOY-LPHOPBHVSA-N 1 3 329.488 2.668 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031714686 729497354 /nfs/dbraw/zinc/49/73/54/729497354.db2.gz LATHDEUYKDTNII-FAFZWHIHSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001031730040 729557097 /nfs/dbraw/zinc/55/70/97/729557097.db2.gz ZOWHQVPCZLOXQE-FQEVSTJZSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001031730040 729557100 /nfs/dbraw/zinc/55/71/00/729557100.db2.gz ZOWHQVPCZLOXQE-FQEVSTJZSA-N 1 3 343.515 2.521 20 0 EFADHO CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000261541541 729616067 /nfs/dbraw/zinc/61/60/67/729616067.db2.gz BHBMCHQQXOTQEC-FHWLQOOXSA-N 1 3 329.488 2.627 20 0 EFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C4CC4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423132 1126206836 /nfs/dbraw/zinc/20/68/36/1126206836.db2.gz ICCBOLYGLOQHNR-NTDBWNAOSA-N 1 3 349.544 2.980 20 0 EFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C4CC4)s3)[C@@H](O)C2)[C@H]1C(C)C ZINC001550423132 1126206838 /nfs/dbraw/zinc/20/68/38/1126206838.db2.gz ICCBOLYGLOQHNR-NTDBWNAOSA-N 1 3 349.544 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001570000512 1085841169 /nfs/dbraw/zinc/84/11/69/1085841169.db2.gz OSTGKZVJPXDLQW-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514114 1087817971 /nfs/dbraw/zinc/81/79/71/1087817971.db2.gz GOUKIAAUPQBLTL-IIDMSEBBSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514114 1087817997 /nfs/dbraw/zinc/81/79/97/1087817997.db2.gz GOUKIAAUPQBLTL-IIDMSEBBSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC001646514114 1087818027 /nfs/dbraw/zinc/81/80/27/1087818027.db2.gz GOUKIAAUPQBLTL-IIDMSEBBSA-N 1 3 340.895 2.710 20 0 EFADHO C(NC1CC[NH+](CC2CCCCC2)CC1)c1nc2c(s1)CNCC2 ZINC001574796689 1088103326 /nfs/dbraw/zinc/10/33/26/1088103326.db2.gz ZYAGGSSQJMVRMR-UHFFFAOYSA-N 1 3 348.560 2.923 20 0 EFADHO CC(=O)NCCN(CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccsc1 ZINC001575013993 1088196569 /nfs/dbraw/zinc/19/65/69/1088196569.db2.gz MLFOEBIFYQPUMV-ZNXRZULTSA-N 1 3 335.517 2.607 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCNC2CC2)C(C)(C)C1 ZINC001575183722 1088292917 /nfs/dbraw/zinc/29/29/17/1088292917.db2.gz IQJKLIMMTHVSBJ-HNNXBMFYSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(CCN(CCC[NH2+]C3CC3)C2)CC1 ZINC001575187118 1088297942 /nfs/dbraw/zinc/29/79/42/1088297942.db2.gz OXTCJGQDATYMDB-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575186768 1088298199 /nfs/dbraw/zinc/29/81/99/1088298199.db2.gz HXLDBWSXMGPTBX-JTDSTZFVSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1 ZINC001575186768 1088298212 /nfs/dbraw/zinc/29/82/12/1088298212.db2.gz HXLDBWSXMGPTBX-JTDSTZFVSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCc2ccc(C[NH2+]C[C@H](N)C3CC3)cc2C1 ZINC001575202164 1088306082 /nfs/dbraw/zinc/30/60/82/1088306082.db2.gz OCQFEDJQADWPQB-SFHVURJKSA-N 1 3 345.487 2.807 20 0 EFADHO CC(C)[C@H](CN)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001575423385 1088458213 /nfs/dbraw/zinc/45/82/13/1088458213.db2.gz SXWKVKWAELFKRZ-MRXNPFEDSA-N 1 3 327.513 2.844 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC001575521282 1088528854 /nfs/dbraw/zinc/52/88/54/1088528854.db2.gz CCTILKQHGIRKDT-MOPGFXCFSA-N 1 3 341.499 2.892 20 0 EFADHO CC(C)CNC(=O)C1(NCc2ccc3c(c2)C[NH2+]CC3)CCCC1 ZINC001575600989 1088578820 /nfs/dbraw/zinc/57/88/20/1088578820.db2.gz RRHLDOPMYJWASK-UHFFFAOYSA-N 1 3 329.488 2.507 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])N(C)C)cc1 ZINC001575647884 1088608790 /nfs/dbraw/zinc/60/87/90/1088608790.db2.gz AWODBUBBQIHCCC-MDZRGWNJSA-N 1 3 348.535 2.913 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001575645247 1088609549 /nfs/dbraw/zinc/60/95/49/1088609549.db2.gz ZKYSPXWULZFTOM-HKUYNNGSSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001575700583 1088643261 /nfs/dbraw/zinc/64/32/61/1088643261.db2.gz RNPPKBRUDXXEJO-SFHVURJKSA-N 1 3 342.487 2.593 20 0 EFADHO CC(C)c1nc(CCNCc2ccc(N3CC[NH2+]CC3)o2)cs1 ZINC001575867958 1088743732 /nfs/dbraw/zinc/74/37/32/1088743732.db2.gz OOHBXKXGZVAHBD-UHFFFAOYSA-N 1 3 334.489 2.601 20 0 EFADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC001575910335 1088766779 /nfs/dbraw/zinc/76/67/79/1088766779.db2.gz ZBDNRUGJXYHOCG-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCCC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC001647078093 1088845673 /nfs/dbraw/zinc/84/56/73/1088845673.db2.gz ZRUVRGUGMZSFRB-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC001576197530 1088994233 /nfs/dbraw/zinc/99/42/33/1088994233.db2.gz BFSGELNTRXCTFJ-PBEJRMEISA-N 1 3 339.483 2.754 20 0 EFADHO C[C@@H](NC(=O)c1cc2c(s1)CNCC2)[C@H](c1ccccc1)[NH+](C)C ZINC001576224306 1089025959 /nfs/dbraw/zinc/02/59/59/1089025959.db2.gz FLUVXTHULLXVGF-FZKQIMNGSA-N 1 3 343.496 2.815 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)CCCC1 ZINC001647227198 1089133149 /nfs/dbraw/zinc/13/31/49/1089133149.db2.gz GKVFRCPBNHCHSO-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC001576382792 1089167423 /nfs/dbraw/zinc/16/74/23/1089167423.db2.gz DPDYAPAFXAJVOH-FJIDUMEYSA-N 1 3 333.520 2.676 20 0 EFADHO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394588 1089182693 /nfs/dbraw/zinc/18/26/93/1089182693.db2.gz RBZLLHJCOFSMLO-AEFFLSMTSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[C@@H](c2ccccc2)[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394588 1089182698 /nfs/dbraw/zinc/18/26/98/1089182698.db2.gz RBZLLHJCOFSMLO-AEFFLSMTSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC001576479841 1089286833 /nfs/dbraw/zinc/28/68/33/1089286833.db2.gz HCKGIGNLGRGMHV-MSOLQXFVSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@]1(CNCCC(=O)Nc2cc(Cl)cc(Cl)c2)CC[NH2+]C1 ZINC001576526827 1089310912 /nfs/dbraw/zinc/31/09/12/1089310912.db2.gz ZOPQTYJVNKIBSL-HNNXBMFYSA-N 1 3 330.259 2.911 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576605291 1089353416 /nfs/dbraw/zinc/35/34/16/1089353416.db2.gz KDTNHQVKVYREGL-QRQLOZEOSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623962 1089360690 /nfs/dbraw/zinc/36/06/90/1089360690.db2.gz NBFWLHQRWLPIGX-QKPAOTATSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623962 1089360699 /nfs/dbraw/zinc/36/06/99/1089360699.db2.gz NBFWLHQRWLPIGX-QKPAOTATSA-N 1 3 325.497 2.895 20 0 EFADHO CC(C)[C@@H](CNC(=O)c1cc2c(s1)CNCC2)[NH+]1CCC(C)CC1 ZINC001576729429 1089423648 /nfs/dbraw/zinc/42/36/48/1089423648.db2.gz NVHWVZIFALLATP-MRXNPFEDSA-N 1 3 349.544 2.880 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)c2ccccc2)CC1 ZINC001576729585 1089424450 /nfs/dbraw/zinc/42/44/50/1089424450.db2.gz SAQGJJZDNXETGU-ZJOUEHCJSA-N 1 3 341.499 2.575 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576760649 1089445374 /nfs/dbraw/zinc/44/53/74/1089445374.db2.gz SRDZFRHKNLTBNG-DUQJVZAFSA-N 1 3 335.536 2.874 20 0 EFADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001576800254 1089467349 /nfs/dbraw/zinc/46/73/49/1089467349.db2.gz GWEXHDWCWUKXBS-UCHQMPSGSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1N ZINC001576800254 1089467351 /nfs/dbraw/zinc/46/73/51/1089467351.db2.gz GWEXHDWCWUKXBS-UCHQMPSGSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@H]1N ZINC001576800254 1089467354 /nfs/dbraw/zinc/46/73/54/1089467354.db2.gz GWEXHDWCWUKXBS-UCHQMPSGSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H]1CN(C[C@H](O)c2cccc3ccccc32)CC2(CC[NH2+]CC2)O1 ZINC001576807483 1089468641 /nfs/dbraw/zinc/46/86/41/1089468641.db2.gz REJSSIABYMSRAZ-UZLBHIALSA-N 1 3 340.467 2.716 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562829 1089549967 /nfs/dbraw/zinc/54/99/67/1089549967.db2.gz LLZNECPHXBEYMM-GOEBONIOSA-N 1 3 330.394 2.540 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562829 1089549980 /nfs/dbraw/zinc/54/99/80/1089549980.db2.gz LLZNECPHXBEYMM-GOEBONIOSA-N 1 3 330.394 2.540 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562829 1089550002 /nfs/dbraw/zinc/55/00/02/1089550002.db2.gz LLZNECPHXBEYMM-GOEBONIOSA-N 1 3 330.394 2.540 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001576982147 1089563341 /nfs/dbraw/zinc/56/33/41/1089563341.db2.gz SBAOFJCJIOVMIG-YSVLISHTSA-N 1 3 339.911 2.865 20 0 EFADHO CC[C@@H](C)CN(CC)c1nnc([C@@H]2CCC[NH2+]2)n1CCN1CCCC1 ZINC001576992543 1089568957 /nfs/dbraw/zinc/56/89/57/1089568957.db2.gz NMKDQSNZFCWLHD-SJORKVTESA-N 1 3 348.539 2.671 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)c1ccco1 ZINC001577004236 1089576909 /nfs/dbraw/zinc/57/69/09/1089576909.db2.gz SKZPLPBOQOWCEH-TXPKVOOTSA-N 1 3 348.491 2.636 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[C@H]1[NH3+] ZINC001577280117 1089794062 /nfs/dbraw/zinc/79/40/62/1089794062.db2.gz XSXVHVHRNZTBAE-IEBWSBKVSA-N 1 3 329.488 2.872 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577300409 1089811602 /nfs/dbraw/zinc/81/16/02/1089811602.db2.gz SHIXRVGYSZHEJC-AABGKKOBSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN(C(=O)N[C@H]1C[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001577492582 1090006740 /nfs/dbraw/zinc/00/67/40/1090006740.db2.gz YNLZGQGLWZZXDZ-FHWLQOOXSA-N 1 3 344.503 2.562 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC001577516127 1090029438 /nfs/dbraw/zinc/02/94/38/1090029438.db2.gz DMOZEFQUANIAJJ-LJQANCHMSA-N 1 3 346.519 2.512 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC001577781510 1090179845 /nfs/dbraw/zinc/17/98/45/1090179845.db2.gz NZZPMUPGYUMIAB-SFHVURJKSA-N 1 3 344.503 2.545 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CNCC3)CCCCCC1 ZINC001578409610 1090366154 /nfs/dbraw/zinc/36/61/54/1090366154.db2.gz ZSBHWLMSXZQJBO-UHFFFAOYSA-N 1 3 335.517 2.778 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC(C)(C)C[NH3+])c1cccc(C(F)(F)F)c1 ZINC001578412101 1090366318 /nfs/dbraw/zinc/36/63/18/1090366318.db2.gz DEZGYNNWBDWODW-CQSZACIVSA-N 1 3 345.409 2.799 20 0 EFADHO CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[C@@H]1CCCN(C)C1 ZINC001578528487 1090392245 /nfs/dbraw/zinc/39/22/45/1090392245.db2.gz HBMSSKGTAKPDST-RTBURBONSA-N 1 3 340.471 2.575 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001578587399 1090403651 /nfs/dbraw/zinc/40/36/51/1090403651.db2.gz FELNQBQIBAYNLF-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO COC(=O)C1(CCCC[NH2+]Cc2cc3c(s2)CCNC3)CCC1 ZINC001578781310 1090442545 /nfs/dbraw/zinc/44/25/45/1090442545.db2.gz NIGUOCRMLDLJGW-UHFFFAOYSA-N 1 3 336.501 2.997 20 0 EFADHO COC(=O)C1(c2ccc(C[N@@H+]3C[C@H]4CCCC[C@]4(CN)C3)cc2)CC1 ZINC001578784912 1090442659 /nfs/dbraw/zinc/44/26/59/1090442659.db2.gz XHEQEFHJLVMPBE-QUCCMNQESA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)C1(c2ccc(C[N@H+]3C[C@H]4CCCC[C@]4(CN)C3)cc2)CC1 ZINC001578784912 1090442661 /nfs/dbraw/zinc/44/26/61/1090442661.db2.gz XHEQEFHJLVMPBE-QUCCMNQESA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)/C=C\c1ccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC001578797553 1090445287 /nfs/dbraw/zinc/44/52/87/1090445287.db2.gz OLZKEMPDRSTBOG-SAGASOHGSA-N 1 3 346.471 2.557 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001578847839 1090452510 /nfs/dbraw/zinc/45/25/10/1090452510.db2.gz WNFWFTPXEZTFTD-HNNXBMFYSA-N 1 3 341.455 2.776 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCc3ccc(OC)cc3CC2)cc1 ZINC001579193466 1090540736 /nfs/dbraw/zinc/54/07/36/1090540736.db2.gz CTYGAHNDPHDPQJ-LJQANCHMSA-N 1 3 340.467 2.847 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCc3ccc(OC)cc3CC2)cc1 ZINC001579193466 1090540740 /nfs/dbraw/zinc/54/07/40/1090540740.db2.gz CTYGAHNDPHDPQJ-LJQANCHMSA-N 1 3 340.467 2.847 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001579387862 1090602529 /nfs/dbraw/zinc/60/25/29/1090602529.db2.gz OUMODAQNKJJPRX-IAGOWNOFSA-N 1 3 335.517 2.660 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001579499244 1090622820 /nfs/dbraw/zinc/62/28/20/1090622820.db2.gz GBTLCKOZPGFRBJ-NQNKBUKLSA-N 1 3 337.508 2.752 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001579499240 1090623044 /nfs/dbraw/zinc/62/30/44/1090623044.db2.gz GBTLCKOZPGFRBJ-DRRXZNNHSA-N 1 3 337.508 2.752 20 0 EFADHO Cc1c(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(CN)n1C ZINC001579525338 1090626781 /nfs/dbraw/zinc/62/67/81/1090626781.db2.gz QZIHHGZBPQPXJH-AWEZNQCLSA-N 1 3 342.487 2.651 20 0 EFADHO Cc1cc(-n2ccnc2)ccc1CN1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579548438 1090631093 /nfs/dbraw/zinc/63/10/93/1090631093.db2.gz UPBLRDKXCPWEHY-KRWDZBQOSA-N 1 3 340.471 2.524 20 0 EFADHO Cc1ccc(N2CCC[C@@H](NCc3ccc4c(c3)C[NH2+]CC4)C2=O)cc1 ZINC001579714731 1090669338 /nfs/dbraw/zinc/66/93/38/1090669338.db2.gz GQYAWPXYEIGQKY-OAQYLSRUSA-N 1 3 349.478 2.926 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC001579761710 1090681943 /nfs/dbraw/zinc/68/19/43/1090681943.db2.gz RMMWTECTUYEODJ-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC001579800098 1090690636 /nfs/dbraw/zinc/69/06/36/1090690636.db2.gz KVIHUNPKSISOMW-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1nccn1CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC001579883325 1090712963 /nfs/dbraw/zinc/71/29/63/1090712963.db2.gz PIJWAGWMCBEPOV-UXHICEINSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1nccn1CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC001579883325 1090712967 /nfs/dbraw/zinc/71/29/67/1090712967.db2.gz PIJWAGWMCBEPOV-UXHICEINSA-N 1 3 326.488 2.864 20 0 EFADHO FC(F)(F)Oc1cccc(CN2CCC(OC3C[NH2+]C3)CC2)c1 ZINC001580019158 1090744023 /nfs/dbraw/zinc/74/40/23/1090744023.db2.gz SITWHIGOKALGMU-UHFFFAOYSA-N 1 3 330.350 2.538 20 0 EFADHO FC(F)(F)Oc1ccc(CCN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001580018499 1090744150 /nfs/dbraw/zinc/74/41/50/1090744150.db2.gz HWJKBFPHYTZGRL-UHFFFAOYSA-N 1 3 344.377 2.582 20 0 EFADHO FC(F)c1ccc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cn1 ZINC001580024007 1090745071 /nfs/dbraw/zinc/74/50/71/1090745071.db2.gz MXNHNTMJACKLJQ-HNNXBMFYSA-N 1 3 325.403 2.610 20 0 EFADHO [NH3+][C@@H](CNCCc1ccc(Br)cc1F)CC(F)F ZINC001580131552 1090783863 /nfs/dbraw/zinc/78/38/63/1090783863.db2.gz DXYZXFZGHUKPIA-SNVBAGLBSA-N 1 3 325.172 2.703 20 0 EFADHO [NH3+]C1CC2(C1)CC(NCc1nc(C(F)(F)F)n3c1CCCC3)C2 ZINC001580166733 1090796341 /nfs/dbraw/zinc/79/63/41/1090796341.db2.gz UGAKSGKPEOHENL-UHFFFAOYSA-N 1 3 328.382 2.598 20 0 EFADHO [NH3+]C[C@@]12CN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@H]1CCCC2 ZINC001580255166 1090834727 /nfs/dbraw/zinc/83/47/27/1090834727.db2.gz HVIJLCNHBJFNIO-YJLNNSPDSA-N 1 3 347.890 2.896 20 0 EFADHO [NH3+]Cc1ccc(CN2CCC(n3cnc4ccccc4c3=O)CC2)cc1 ZINC001580337422 1090867636 /nfs/dbraw/zinc/86/76/36/1090867636.db2.gz XWKXZGGHNZFRGP-UHFFFAOYSA-N 1 3 348.450 2.692 20 0 EFADHO [NH3+]Cc1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)cc1 ZINC001580339435 1090869583 /nfs/dbraw/zinc/86/95/83/1090869583.db2.gz MCKVBVUMYHZNNK-FQEVSTJZSA-N 1 3 340.467 2.765 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349338 1090872652 /nfs/dbraw/zinc/87/26/52/1090872652.db2.gz TXYIKPPUEQXCPH-QZTJIDSGSA-N 1 3 347.507 2.646 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349338 1090872659 /nfs/dbraw/zinc/87/26/59/1090872659.db2.gz TXYIKPPUEQXCPH-QZTJIDSGSA-N 1 3 347.507 2.646 20 0 EFADHO [NH3+][C@@H]1CC[C@H](CNCc2c(F)ccc(C3OCCO3)c2Cl)C1 ZINC001580389821 1090886433 /nfs/dbraw/zinc/88/64/33/1090886433.db2.gz SULJTSALWKZZAR-WDEREUQCSA-N 1 3 328.815 2.742 20 0 EFADHO Nc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC001580456990 1090907752 /nfs/dbraw/zinc/90/77/52/1090907752.db2.gz GIAPOBMJQCUEII-HXUWFJFHSA-N 1 3 325.456 2.515 20 0 EFADHO Nc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC001580456990 1090907759 /nfs/dbraw/zinc/90/77/59/1090907759.db2.gz GIAPOBMJQCUEII-HXUWFJFHSA-N 1 3 325.456 2.515 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC001580661956 1090979670 /nfs/dbraw/zinc/97/96/70/1090979670.db2.gz WOZJWSAHZPGUKL-KANFNMMFSA-N 1 3 333.520 2.820 20 0 EFADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CC[C@@H]2CCCCN21 ZINC001580793161 1091009892 /nfs/dbraw/zinc/00/98/92/1091009892.db2.gz BSRZASDTYHLQQM-ZFWWWQNUSA-N 1 3 334.489 2.566 20 0 EFADHO O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CC[C@@H]2CCCCN12 ZINC001580793158 1091009930 /nfs/dbraw/zinc/00/99/30/1091009930.db2.gz BSRZASDTYHLQQM-DZGCQCFKSA-N 1 3 334.489 2.566 20 0 EFADHO O[C@@H]1CNCC[C@@H]1[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001580880067 1091033139 /nfs/dbraw/zinc/03/31/39/1091033139.db2.gz JAPFJMYFHJAPLB-MKMATAJISA-N 1 3 338.451 2.591 20 0 EFADHO c1cc(N2CC[NH2+]CC2)oc1CN1CCC[C@H]1COc1ccccc1 ZINC001580895849 1091038844 /nfs/dbraw/zinc/03/88/44/1091038844.db2.gz VOHLAANEUMRBOE-KRWDZBQOSA-N 1 3 341.455 2.733 20 0 EFADHO c1ccc2c(c1)C[NH2+]CC1(CCN(CCO[C@H]3CCCCO3)CC1)O2 ZINC001580896777 1091039213 /nfs/dbraw/zinc/03/92/13/1091039213.db2.gz RBIRXHGBANPVGX-IBGZPJMESA-N 1 3 346.471 2.546 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000063917534 1092257497 /nfs/dbraw/zinc/25/74/97/1092257497.db2.gz QJJFAUNOVDJNAQ-HNNXBMFYSA-N 1 3 328.460 2.907 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001480913150 1092387212 /nfs/dbraw/zinc/38/72/12/1092387212.db2.gz JYTVVNOJKCHCPV-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001480913150 1092387224 /nfs/dbraw/zinc/38/72/24/1092387224.db2.gz JYTVVNOJKCHCPV-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCCc3ccc(F)cc32)C1 ZINC001480913153 1092388144 /nfs/dbraw/zinc/38/81/44/1092388144.db2.gz JYTVVNOJKCHCPV-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCCc3ccc(F)cc32)C1 ZINC001480913153 1092388167 /nfs/dbraw/zinc/38/81/67/1092388167.db2.gz JYTVVNOJKCHCPV-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087212408 1092860028 /nfs/dbraw/zinc/86/00/28/1092860028.db2.gz ALGWPSHVDZLOOZ-LMMKCTJWSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC001650147505 1092975517 /nfs/dbraw/zinc/97/55/17/1092975517.db2.gz RDUHECCZQLQLIT-AKIFWYRPSA-N 1 3 347.503 2.599 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001650147505 1092975534 /nfs/dbraw/zinc/97/55/34/1092975534.db2.gz RDUHECCZQLQLIT-AKIFWYRPSA-N 1 3 347.503 2.599 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454001 1093039616 /nfs/dbraw/zinc/03/96/16/1093039616.db2.gz IQLPXQNYPLTZAG-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454001 1093039622 /nfs/dbraw/zinc/03/96/22/1093039622.db2.gz IQLPXQNYPLTZAG-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627069 1093149606 /nfs/dbraw/zinc/14/96/06/1093149606.db2.gz JYZKBPKFWUTDSU-LJQANCHMSA-N 1 3 349.494 2.993 20 0 EFADHO [NH3+]CCc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC001650335210 1093164341 /nfs/dbraw/zinc/16/43/41/1093164341.db2.gz OCHNNOCSHKLGEB-FQEVSTJZSA-N 1 3 337.467 2.755 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)c1cnc(C2CC[NH2+]CC2)o1 ZINC001650337674 1093166553 /nfs/dbraw/zinc/16/65/53/1093166553.db2.gz FWYDOYKNWRJVTH-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075459102 1093241368 /nfs/dbraw/zinc/24/13/68/1093241368.db2.gz YLJLRSHICIEUCH-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)CC1 ZINC001075459102 1093241377 /nfs/dbraw/zinc/24/13/77/1093241377.db2.gz YLJLRSHICIEUCH-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465308 1093435742 /nfs/dbraw/zinc/43/57/42/1093435742.db2.gz GIGVPYLYFSTKFK-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465308 1093435750 /nfs/dbraw/zinc/43/57/50/1093435750.db2.gz GIGVPYLYFSTKFK-KRWDZBQOSA-N 1 3 328.464 2.639 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)nnn2C ZINC001650627670 1093475994 /nfs/dbraw/zinc/47/59/94/1093475994.db2.gz QOJATZOPRHHKHG-APWZRJJASA-N 1 3 349.482 2.969 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)nnn2C ZINC001650627670 1093476000 /nfs/dbraw/zinc/47/60/00/1093476000.db2.gz QOJATZOPRHHKHG-APWZRJJASA-N 1 3 349.482 2.969 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590686931 1093548589 /nfs/dbraw/zinc/54/85/89/1093548589.db2.gz OXBXWQBJNZJIFD-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590686931 1093548595 /nfs/dbraw/zinc/54/85/95/1093548595.db2.gz OXBXWQBJNZJIFD-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590727597 1093557923 /nfs/dbraw/zinc/55/79/23/1093557923.db2.gz MCAAVSGPEPEOPG-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590727597 1093557925 /nfs/dbraw/zinc/55/79/25/1093557925.db2.gz MCAAVSGPEPEOPG-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590727597 1093557928 /nfs/dbraw/zinc/55/79/28/1093557928.db2.gz MCAAVSGPEPEOPG-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO CC[N@@H+](CC1CC[NH+](CC)CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590727597 1093557930 /nfs/dbraw/zinc/55/79/30/1093557930.db2.gz MCAAVSGPEPEOPG-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO CC[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590727431 1093558795 /nfs/dbraw/zinc/55/87/95/1093558795.db2.gz JAPDWRSOXOQRJG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590727431 1093558802 /nfs/dbraw/zinc/55/88/02/1093558802.db2.gz JAPDWRSOXOQRJG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590727431 1093558809 /nfs/dbraw/zinc/55/88/09/1093558809.db2.gz JAPDWRSOXOQRJG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590727431 1093558815 /nfs/dbraw/zinc/55/88/15/1093558815.db2.gz JAPDWRSOXOQRJG-CQSZACIVSA-N 1 3 328.464 2.591 20 0 EFADHO C[NH+](Cc1cc(C[N@H+](C)CC2CC2)cc(-c2nnn[n-]2)c1)CC1CC1 ZINC001591130671 1093666995 /nfs/dbraw/zinc/66/69/95/1093666995.db2.gz OWINZCLAKHITIO-UHFFFAOYSA-N 1 3 340.475 2.550 20 0 EFADHO C[NH+](Cc1cc(C[N@@H+](C)CC2CC2)cc(-c2nnn[n-]2)c1)CC1CC1 ZINC001591130671 1093666996 /nfs/dbraw/zinc/66/69/96/1093666996.db2.gz OWINZCLAKHITIO-UHFFFAOYSA-N 1 3 340.475 2.550 20 0 EFADHO C[NH+](Cc1cc(C[N@H+](C)CC2CC2)cc(-c2nn[n-]n2)c1)CC1CC1 ZINC001591130671 1093666999 /nfs/dbraw/zinc/66/69/99/1093666999.db2.gz OWINZCLAKHITIO-UHFFFAOYSA-N 1 3 340.475 2.550 20 0 EFADHO C[NH+](Cc1cc(C[N@@H+](C)CC2CC2)cc(-c2nn[n-]n2)c1)CC1CC1 ZINC001591130671 1093667002 /nfs/dbraw/zinc/66/70/02/1093667002.db2.gz OWINZCLAKHITIO-UHFFFAOYSA-N 1 3 340.475 2.550 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)Cc1cccc2ccccc21 ZINC001480937171 1094388814 /nfs/dbraw/zinc/38/88/14/1094388814.db2.gz CWENOSFZUPPRAY-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)Cc1cccc2ccccc21 ZINC001480937171 1094388822 /nfs/dbraw/zinc/38/88/22/1094388822.db2.gz CWENOSFZUPPRAY-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001481095236 1094458041 /nfs/dbraw/zinc/45/80/41/1094458041.db2.gz GWSUDCDSENUFKW-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001481095236 1094458045 /nfs/dbraw/zinc/45/80/45/1094458045.db2.gz GWSUDCDSENUFKW-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676627 1094591646 /nfs/dbraw/zinc/59/16/46/1094591646.db2.gz RVDYCANFZDLJEW-ZIFCJYIRSA-N 1 3 337.552 2.981 20 0 EFADHO CCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682165 1094618598 /nfs/dbraw/zinc/61/85/98/1094618598.db2.gz DYGVERUSVFYILU-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104683619 1094630096 /nfs/dbraw/zinc/63/00/96/1094630096.db2.gz NVDXNBDWWOTCCW-IAGOWNOFSA-N 1 3 325.541 2.695 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001104690271 1094641895 /nfs/dbraw/zinc/64/18/95/1094641895.db2.gz BMSCYQCVIPKEMB-NXHRZFHOSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001104691959 1094645904 /nfs/dbraw/zinc/64/59/04/1094645904.db2.gz ZXJGPVSENGGGGP-RLLQIKCJSA-N 1 3 345.531 2.909 20 0 EFADHO CN(CCNC(=O)CCC[NH+]1CCCC1)[C@H]1CCc2c1cccc2F ZINC001480950560 1094759432 /nfs/dbraw/zinc/75/94/32/1094759432.db2.gz KCTJURULOWQGHM-IBGZPJMESA-N 1 3 347.478 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001112529898 1094764234 /nfs/dbraw/zinc/76/42/34/1094764234.db2.gz UWSVFLKVLUYDEK-WFXMLNOXSA-N 1 3 349.563 2.983 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC3CC3)C2)C1 ZINC001112530261 1094872320 /nfs/dbraw/zinc/87/23/20/1094872320.db2.gz MIFYJPQMENVYIB-RXVVDRJESA-N 1 3 347.547 2.737 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001481498335 1094944947 /nfs/dbraw/zinc/94/49/47/1094944947.db2.gz PBOZMQRVEOFKNU-IHZMKLEDSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001481498335 1094944952 /nfs/dbraw/zinc/94/49/52/1094944952.db2.gz PBOZMQRVEOFKNU-IHZMKLEDSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1)N(C)C ZINC001112531538 1095086022 /nfs/dbraw/zinc/08/60/22/1095086022.db2.gz CFFGNIBLKLVXMA-LNLFQRSKSA-N 1 3 341.515 2.685 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001167814838 1095097326 /nfs/dbraw/zinc/09/73/26/1095097326.db2.gz GXMMDQOHILWPIV-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001167814816 1095098539 /nfs/dbraw/zinc/09/85/39/1095098539.db2.gz FXIPLMNHPLEZKF-JXMROGBWSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001481172588 1095117191 /nfs/dbraw/zinc/11/71/91/1095117191.db2.gz HLEBIVXJBPUIGT-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001481172588 1095117195 /nfs/dbraw/zinc/11/71/95/1095117195.db2.gz HLEBIVXJBPUIGT-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001481173754 1095122123 /nfs/dbraw/zinc/12/21/23/1095122123.db2.gz PZKKUECIWCIQQZ-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001481173754 1095122130 /nfs/dbraw/zinc/12/21/30/1095122130.db2.gz PZKKUECIWCIQQZ-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2cc(C)nc(C)n2)CC1 ZINC001167827876 1095233085 /nfs/dbraw/zinc/23/30/85/1095233085.db2.gz YUDAKOLRIKHGFU-QGZVFWFLSA-N 1 3 333.524 2.726 20 0 EFADHO C[C@@H](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C ZINC000695203247 1095282369 /nfs/dbraw/zinc/28/23/69/1095282369.db2.gz GDGMBLCDZFCNBJ-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC(C)C)[C@H]2C1(C)C ZINC001087316195 1095297454 /nfs/dbraw/zinc/29/74/54/1095297454.db2.gz OVUMEOCQRYUUDA-KFKAGJAMSA-N 1 3 346.519 2.912 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC(C)C)[C@H]2C1(C)C ZINC001087316195 1095297464 /nfs/dbraw/zinc/29/74/64/1095297464.db2.gz OVUMEOCQRYUUDA-KFKAGJAMSA-N 1 3 346.519 2.912 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001087316832 1095301398 /nfs/dbraw/zinc/30/13/98/1095301398.db2.gz YCOQOEDKIVONIQ-LZQZEXGQSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001087316832 1095301403 /nfs/dbraw/zinc/30/14/03/1095301403.db2.gz YCOQOEDKIVONIQ-LZQZEXGQSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC3CC3)[C@H]2C1(C)C ZINC001087316831 1095301691 /nfs/dbraw/zinc/30/16/91/1095301691.db2.gz YCOQOEDKIVONIQ-KFKAGJAMSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC3CC3)[C@H]2C1(C)C ZINC001087316831 1095301702 /nfs/dbraw/zinc/30/17/02/1095301702.db2.gz YCOQOEDKIVONIQ-KFKAGJAMSA-N 1 3 344.503 2.666 20 0 EFADHO c1cc(NCCN2CCSCC2)cc2c1CCC21CC[NH2+]CC1 ZINC001167838060 1095341805 /nfs/dbraw/zinc/34/18/05/1095341805.db2.gz YWKNGKNJHBSMLY-UHFFFAOYSA-N 1 3 331.529 2.715 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCCN(C(=O)c2ccco2)CC1 ZINC001167839509 1095343297 /nfs/dbraw/zinc/34/32/97/1095343297.db2.gz YNNSHDNHJGNPOQ-KRWDZBQOSA-N 1 3 335.492 2.938 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ncccc2OC)CC1 ZINC001167841709 1095376434 /nfs/dbraw/zinc/37/64/34/1095376434.db2.gz PCSGMTZUZKRAEY-KRWDZBQOSA-N 1 3 334.508 2.723 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2c(C)cccc2C)C1 ZINC001100769325 1095592085 /nfs/dbraw/zinc/59/20/85/1095592085.db2.gz DMSGKSYJNBAUES-UHFFFAOYSA-N 1 3 331.504 2.630 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)c(F)c1 ZINC001480974781 1095634251 /nfs/dbraw/zinc/63/42/51/1095634251.db2.gz WCVITAPHINHUOE-LJQANCHMSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)c(F)c1 ZINC001480974781 1095634255 /nfs/dbraw/zinc/63/42/55/1095634255.db2.gz WCVITAPHINHUOE-LJQANCHMSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1cccc(F)c1 ZINC001480980636 1095653433 /nfs/dbraw/zinc/65/34/33/1095653433.db2.gz KWXNDTZXNZNLJM-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H](C)c1cccc(F)c1 ZINC001480980636 1095653441 /nfs/dbraw/zinc/65/34/41/1095653441.db2.gz KWXNDTZXNZNLJM-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(CC[N@H+]2CCCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000981953449 1095760714 /nfs/dbraw/zinc/76/07/14/1095760714.db2.gz NSPCHSXJUIESMB-LJQANCHMSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000981953449 1095760719 /nfs/dbraw/zinc/76/07/19/1095760719.db2.gz NSPCHSXJUIESMB-LJQANCHMSA-N 1 3 343.515 2.556 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703063 1095928288 /nfs/dbraw/zinc/92/82/88/1095928288.db2.gz SADVIHRPBRZCOV-CEXWTWQISA-N 1 3 349.494 2.661 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703063 1095928296 /nfs/dbraw/zinc/92/82/96/1095928296.db2.gz SADVIHRPBRZCOV-CEXWTWQISA-N 1 3 349.494 2.661 20 0 EFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703064 1095928884 /nfs/dbraw/zinc/92/88/84/1095928884.db2.gz SADVIHRPBRZCOV-GBESFXJTSA-N 1 3 349.494 2.661 20 0 EFADHO CC[C@H](F)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703064 1095928891 /nfs/dbraw/zinc/92/88/91/1095928891.db2.gz SADVIHRPBRZCOV-GBESFXJTSA-N 1 3 349.494 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001167895197 1096217885 /nfs/dbraw/zinc/21/78/85/1096217885.db2.gz YPJSCSAQVWNIHY-UHFFFAOYSA-N 1 3 340.471 2.645 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001211713645 1096307908 /nfs/dbraw/zinc/30/79/08/1096307908.db2.gz SANSHKMQZSGFIK-YTQUADARSA-N 1 3 349.494 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001167900529 1096330856 /nfs/dbraw/zinc/33/08/56/1096330856.db2.gz KPPBWHYEWNRCDY-OAHLLOKOSA-N 1 3 340.471 2.898 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603649450 1096576518 /nfs/dbraw/zinc/57/65/18/1096576518.db2.gz DZBMTANMCBWEOP-STJZUHDESA-N 1 3 340.475 2.924 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603649450 1096576522 /nfs/dbraw/zinc/57/65/22/1096576522.db2.gz DZBMTANMCBWEOP-STJZUHDESA-N 1 3 340.475 2.924 20 0 EFADHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603651427 1096577535 /nfs/dbraw/zinc/57/75/35/1096577535.db2.gz SDLGRMBYYMWGAV-RDTXWAMCSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603651427 1096577542 /nfs/dbraw/zinc/57/75/42/1096577542.db2.gz SDLGRMBYYMWGAV-RDTXWAMCSA-N 1 3 336.443 2.998 20 0 EFADHO C[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001604854204 1096970360 /nfs/dbraw/zinc/97/03/60/1096970360.db2.gz IOROBZYOINUBRM-SFHVURJKSA-N 1 3 340.475 2.566 20 0 EFADHO C[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001604854204 1096970365 /nfs/dbraw/zinc/97/03/65/1096970365.db2.gz IOROBZYOINUBRM-SFHVURJKSA-N 1 3 340.475 2.566 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C\Cl)CC2)CC1 ZINC001482021747 1097101169 /nfs/dbraw/zinc/10/11/69/1097101169.db2.gz AZBIUSIWBSCBGJ-CXBSFDSUSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)ccc1-c1nnn[n-]1 ZINC001605661799 1097183288 /nfs/dbraw/zinc/18/32/88/1097183288.db2.gz AKXYCLJBMDJEOZ-UHFFFAOYSA-N 1 3 330.480 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCCCCC[NH+](C)C)ccc1-c1nn[n-]n1 ZINC001605661799 1097183293 /nfs/dbraw/zinc/18/32/93/1097183293.db2.gz AKXYCLJBMDJEOZ-UHFFFAOYSA-N 1 3 330.480 2.777 20 0 EFADHO CCC[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001482051424 1097184003 /nfs/dbraw/zinc/18/40/03/1097184003.db2.gz AYJQNLUPAVLONR-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001268556921 1097188359 /nfs/dbraw/zinc/18/83/59/1097188359.db2.gz PSXUDOOXALYOKC-JNVNVXKGSA-N 1 3 329.488 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC001482065743 1097215744 /nfs/dbraw/zinc/21/57/44/1097215744.db2.gz RNPVMQFFVJWZQR-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001482107599 1097268309 /nfs/dbraw/zinc/26/83/09/1097268309.db2.gz KDOGEUMXAASETJ-KDOFPFPSSA-N 1 3 347.478 2.639 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)s1 ZINC001482162436 1097417725 /nfs/dbraw/zinc/41/77/25/1097417725.db2.gz ARPWDNPVEJEWKN-SNVBAGLBSA-N 1 3 340.880 2.518 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC001267912325 1098597232 /nfs/dbraw/zinc/59/72/32/1098597232.db2.gz PQZFTSYVVOSKLS-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104803564 1098620249 /nfs/dbraw/zinc/62/02/49/1098620249.db2.gz UVVFKTVAKLEPSO-QZTJIDSGSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104809982 1098637736 /nfs/dbraw/zinc/63/77/36/1098637736.db2.gz UKYHKZSGBTUJAV-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104833233 1098717073 /nfs/dbraw/zinc/71/70/73/1098717073.db2.gz NKSCAQAAFJONPB-RTBURBONSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001481287788 1098971572 /nfs/dbraw/zinc/97/15/72/1098971572.db2.gz NVDDUEFWHFOEEN-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)COC2)cc1 ZINC001167964327 1099126336 /nfs/dbraw/zinc/12/63/36/1099126336.db2.gz PACKZUDVUVDGOI-IHWFROFDSA-N 1 3 326.484 2.950 20 0 EFADHO c1ccc(C2(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)COC2)cc1 ZINC001167964327 1099126341 /nfs/dbraw/zinc/12/63/41/1099126341.db2.gz PACKZUDVUVDGOI-IHWFROFDSA-N 1 3 326.484 2.950 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)CN(C)C1CCC1 ZINC001482291966 1099139493 /nfs/dbraw/zinc/13/94/93/1099139493.db2.gz KBFYZPIZWNURNX-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO NCc1cc(-c2ccncc2)nn1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167972847 1099347337 /nfs/dbraw/zinc/34/73/37/1099347337.db2.gz CQUMSJSNWAERTK-JWTNVVGKSA-N 1 3 337.471 2.982 20 0 EFADHO NCc1cc(-c2ccncc2)nn1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972847 1099347343 /nfs/dbraw/zinc/34/73/43/1099347343.db2.gz CQUMSJSNWAERTK-JWTNVVGKSA-N 1 3 337.471 2.982 20 0 EFADHO CC(C)(CC(=O)N1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973435 1099350314 /nfs/dbraw/zinc/35/03/14/1099350314.db2.gz KWWAWQCWRNSYDB-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(CC(=O)N1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973435 1099350329 /nfs/dbraw/zinc/35/03/29/1099350329.db2.gz KWWAWQCWRNSYDB-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(CC(=O)N1CCCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167973435 1099350341 /nfs/dbraw/zinc/35/03/41/1099350341.db2.gz KWWAWQCWRNSYDB-AYHJJNSGSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108363 1099494914 /nfs/dbraw/zinc/49/49/14/1099494914.db2.gz GHLSJAHHAIJSAK-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105064412 1099527267 /nfs/dbraw/zinc/52/72/67/1099527267.db2.gz NTDRDJVGCDZQIZ-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H](CNCc1ccc(Cl)cc1F)N(C)C(=O)CCC[NH+](C)C ZINC001482324727 1099546347 /nfs/dbraw/zinc/54/63/47/1099546347.db2.gz WZEJMCXMBIFEIM-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001105066997 1099547519 /nfs/dbraw/zinc/54/75/19/1099547519.db2.gz IIFQRRYYFIRSHU-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO COC[C@]12CCCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988927 1099662661 /nfs/dbraw/zinc/66/26/61/1099662661.db2.gz QETZSAAFBGXUNW-BFSSTPSDSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167988927 1099662666 /nfs/dbraw/zinc/66/26/66/1099662666.db2.gz QETZSAAFBGXUNW-BFSSTPSDSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167988927 1099662671 /nfs/dbraw/zinc/66/26/71/1099662671.db2.gz QETZSAAFBGXUNW-BFSSTPSDSA-N 1 3 348.531 2.909 20 0 EFADHO COC[C@]12CCCO[C@@H]1CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167988927 1099662675 /nfs/dbraw/zinc/66/26/75/1099662675.db2.gz QETZSAAFBGXUNW-BFSSTPSDSA-N 1 3 348.531 2.909 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001075784892 1099850212 /nfs/dbraw/zinc/85/02/12/1099850212.db2.gz KHIOWVBPNFSJPE-XUVXKRRUSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001075784892 1099850221 /nfs/dbraw/zinc/85/02/21/1099850221.db2.gz KHIOWVBPNFSJPE-XUVXKRRUSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001075785132 1099855229 /nfs/dbraw/zinc/85/52/29/1099855229.db2.gz SCLDYRQUMHMKJV-OKZBNKHCSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001075785132 1099855235 /nfs/dbraw/zinc/85/52/35/1099855235.db2.gz SCLDYRQUMHMKJV-OKZBNKHCSA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785293 1099855338 /nfs/dbraw/zinc/85/53/38/1099855338.db2.gz XRNWMUJFRJCZCG-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785293 1099855344 /nfs/dbraw/zinc/85/53/44/1099855344.db2.gz XRNWMUJFRJCZCG-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001105394458 1100417684 /nfs/dbraw/zinc/41/76/84/1100417684.db2.gz XGTYBLMFBADFOS-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105394458 1100417685 /nfs/dbraw/zinc/41/76/85/1100417685.db2.gz XGTYBLMFBADFOS-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccn(C)c(=O)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168015221 1100463793 /nfs/dbraw/zinc/46/37/93/1100463793.db2.gz PQDOOJMQZYPJSH-XEMDLRDOSA-N 1 3 339.483 2.917 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccn(C)c(=O)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168015221 1100463798 /nfs/dbraw/zinc/46/37/98/1100463798.db2.gz PQDOOJMQZYPJSH-XEMDLRDOSA-N 1 3 339.483 2.917 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1csc(C)c1 ZINC001087578356 1100550229 /nfs/dbraw/zinc/55/02/29/1100550229.db2.gz PMBYEHPTUCJKTK-NRSFXHEJSA-N 1 3 349.544 2.866 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1csc(C)c1 ZINC001087578356 1100550232 /nfs/dbraw/zinc/55/02/32/1100550232.db2.gz PMBYEHPTUCJKTK-NRSFXHEJSA-N 1 3 349.544 2.866 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@H+](CCC)CC23CCC3)CC1 ZINC001105396013 1100572021 /nfs/dbraw/zinc/57/20/21/1100572021.db2.gz GYEIDHXJTYPGTK-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@@H+](CCC)CC23CCC3)CC1 ZINC001105396013 1100572026 /nfs/dbraw/zinc/57/20/26/1100572026.db2.gz GYEIDHXJTYPGTK-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105396105 1100572901 /nfs/dbraw/zinc/57/29/01/1100572901.db2.gz IHXJDOZOTMLHBU-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105396105 1100572903 /nfs/dbraw/zinc/57/29/03/1100572903.db2.gz IHXJDOZOTMLHBU-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105396104 1100573125 /nfs/dbraw/zinc/57/31/25/1100573125.db2.gz IHXJDOZOTMLHBU-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105396104 1100573132 /nfs/dbraw/zinc/57/31/32/1100573132.db2.gz IHXJDOZOTMLHBU-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000048711660 1100596012 /nfs/dbraw/zinc/59/60/12/1100596012.db2.gz SSNPSHPWWXWQQE-SFHVURJKSA-N 1 3 328.460 2.528 20 0 EFADHO CC(=O)Nc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000048717249 1100597519 /nfs/dbraw/zinc/59/75/19/1100597519.db2.gz AXFHPDHFVINDFR-UHFFFAOYSA-N 1 3 341.455 2.875 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC(C)C ZINC001087672444 1100647189 /nfs/dbraw/zinc/64/71/89/1100647189.db2.gz TYZFGVFSIHGYNY-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCC(C)C ZINC001087672444 1100647191 /nfs/dbraw/zinc/64/71/91/1100647191.db2.gz TYZFGVFSIHGYNY-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001087671493 1100652256 /nfs/dbraw/zinc/65/22/56/1100652256.db2.gz DVUGTBMLHHEOPA-IPMKNSEASA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CCC1 ZINC001087671493 1100652260 /nfs/dbraw/zinc/65/22/60/1100652260.db2.gz DVUGTBMLHHEOPA-IPMKNSEASA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001087828047 1100830436 /nfs/dbraw/zinc/83/04/36/1100830436.db2.gz XSURUFMLXALCBK-RIDDITNMSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001087828047 1100830441 /nfs/dbraw/zinc/83/04/41/1100830441.db2.gz XSURUFMLXALCBK-RIDDITNMSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOC[C@@H]2C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168025366 1100839126 /nfs/dbraw/zinc/83/91/26/1100839126.db2.gz JWHUGQQJDDEVEK-JTJHWIPRSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOC[C@@H]2C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168025366 1100839136 /nfs/dbraw/zinc/83/91/36/1100839136.db2.gz JWHUGQQJDDEVEK-JTJHWIPRSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC001087841033 1100856081 /nfs/dbraw/zinc/85/60/81/1100856081.db2.gz ZXKYVERAEJFXGD-ZWKOTPCHSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC001087841033 1100856089 /nfs/dbraw/zinc/85/60/89/1100856089.db2.gz ZXKYVERAEJFXGD-ZWKOTPCHSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1)N1CCCCC1 ZINC001087966454 1101095030 /nfs/dbraw/zinc/09/50/30/1101095030.db2.gz DHIKIWUSTMILTL-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1)N1CCCCC1 ZINC001087966454 1101095035 /nfs/dbraw/zinc/09/50/35/1101095035.db2.gz DHIKIWUSTMILTL-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4=CCCCC4)CC[C@@H]3C2)CCC1 ZINC001087992420 1101166012 /nfs/dbraw/zinc/16/60/12/1101166012.db2.gz UUWBJXOHULWZMZ-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4=CCCCC4)CC[C@@H]3C2)CCC1 ZINC001087992420 1101166015 /nfs/dbraw/zinc/16/60/15/1101166015.db2.gz UUWBJXOHULWZMZ-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993575 1101166663 /nfs/dbraw/zinc/16/66/63/1101166663.db2.gz TZYBLUXBFHILGS-HSALFYBXSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993575 1101166671 /nfs/dbraw/zinc/16/66/71/1101166671.db2.gz TZYBLUXBFHILGS-HSALFYBXSA-N 1 3 345.531 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088010773 1101189641 /nfs/dbraw/zinc/18/96/41/1101189641.db2.gz JWVSZOLOWJTYEW-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088010773 1101189648 /nfs/dbraw/zinc/18/96/48/1101189648.db2.gz JWVSZOLOWJTYEW-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088010818 1101189689 /nfs/dbraw/zinc/18/96/89/1101189689.db2.gz LRBXETQZXLODDR-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088010818 1101189695 /nfs/dbraw/zinc/18/96/95/1101189695.db2.gz LRBXETQZXLODDR-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088011465 1101191466 /nfs/dbraw/zinc/19/14/66/1101191466.db2.gz ONAHPUXMTPCIBX-FGTMMUONSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088011465 1101191473 /nfs/dbraw/zinc/19/14/73/1101191473.db2.gz ONAHPUXMTPCIBX-FGTMMUONSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001642491215 1101217582 /nfs/dbraw/zinc/21/75/82/1101217582.db2.gz YICQGUSVXIBGIB-IYBDPMFKSA-N 1 3 338.455 2.736 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001642491215 1101217590 /nfs/dbraw/zinc/21/75/90/1101217590.db2.gz YICQGUSVXIBGIB-IYBDPMFKSA-N 1 3 338.455 2.736 20 0 EFADHO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)[C@@H](C)N3CCCC3)C2)C1 ZINC001271212709 1101287021 /nfs/dbraw/zinc/28/70/21/1101287021.db2.gz XCSDSPPRCYKRFI-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC3)[C@H](C)C2)CC1 ZINC001075344008 1101357572 /nfs/dbraw/zinc/35/75/72/1101357572.db2.gz IANWEJONUWRWBL-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167385750 1101392067 /nfs/dbraw/zinc/39/20/67/1101392067.db2.gz RJYWNGKTSBIPIC-AVFOEOQDSA-N 1 3 341.927 2.878 20 0 EFADHO CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001280394190 1101463441 /nfs/dbraw/zinc/46/34/41/1101463441.db2.gz DFEBXFJCUUNHCT-LKGOPFMKSA-N 1 3 335.536 2.853 20 0 EFADHO CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001280394191 1101463485 /nfs/dbraw/zinc/46/34/85/1101463485.db2.gz DFEBXFJCUUNHCT-ZEVQVBBLSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)CN1CCC([NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000067186913 1101495939 /nfs/dbraw/zinc/49/59/39/1101495939.db2.gz FGIPQKOSBILGNO-UHFFFAOYSA-N 1 3 327.476 2.692 20 0 EFADHO CCc1nc(CNCc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000067215500 1101501780 /nfs/dbraw/zinc/50/17/80/1101501780.db2.gz BEUTVWYTKQDNEZ-UHFFFAOYSA-N 1 3 344.528 2.743 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000067671684 1101552866 /nfs/dbraw/zinc/55/28/66/1101552866.db2.gz FUGNBLBNRVUVOB-AWEZNQCLSA-N 1 3 329.410 2.821 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000067671737 1101553070 /nfs/dbraw/zinc/55/30/70/1101553070.db2.gz ZYYWFNVMOVTSTD-CQSZACIVSA-N 1 3 329.410 2.821 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000067671736 1101553263 /nfs/dbraw/zinc/55/32/63/1101553263.db2.gz ZYYWFNVMOVTSTD-AWEZNQCLSA-N 1 3 329.410 2.821 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001087135692 1101621201 /nfs/dbraw/zinc/62/12/01/1101621201.db2.gz UWJIXBBZZAHFKB-PVAVHDDUSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CCC3(C2)OCCO3)C[C@H](C)N1Cc1ccccc1 ZINC001168053814 1101641689 /nfs/dbraw/zinc/64/16/89/1101641689.db2.gz PVLCJVKKZZCMEX-IZZQQSIFSA-N 1 3 330.472 2.877 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CCC3(C2)OCCO3)C[C@H](C)N1Cc1ccccc1 ZINC001168053814 1101641694 /nfs/dbraw/zinc/64/16/94/1101641694.db2.gz PVLCJVKKZZCMEX-IZZQQSIFSA-N 1 3 330.472 2.877 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150587 1101686336 /nfs/dbraw/zinc/68/63/36/1101686336.db2.gz LRTVUTAVKUINGO-QRQLOZEOSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150587 1101686341 /nfs/dbraw/zinc/68/63/41/1101686341.db2.gz LRTVUTAVKUINGO-QRQLOZEOSA-N 1 3 335.536 2.545 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168056843 1101691789 /nfs/dbraw/zinc/69/17/89/1101691789.db2.gz JDVGPMZYRDRUGP-MBOZVWFJSA-N 1 3 343.515 2.981 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2COC[C@@H]2OC)ccc1OC ZINC000840826262 1101754288 /nfs/dbraw/zinc/75/42/88/1101754288.db2.gz JGOWNPGYZSPPSM-BJZITVGISA-N 1 3 336.476 2.601 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001480871070 1101759786 /nfs/dbraw/zinc/75/97/86/1101759786.db2.gz HUBDBJRNQFUMBH-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001480871070 1101759794 /nfs/dbraw/zinc/75/97/94/1101759794.db2.gz HUBDBJRNQFUMBH-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001088212768 1101888838 /nfs/dbraw/zinc/88/88/38/1101888838.db2.gz OOTUNHXICTWFTA-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001088212768 1101888854 /nfs/dbraw/zinc/88/88/54/1101888854.db2.gz OOTUNHXICTWFTA-CEXWTWQISA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001075366245 1101972015 /nfs/dbraw/zinc/97/20/15/1101972015.db2.gz BDLCJLHYKPYVEM-DLBZAZTESA-N 1 3 331.504 2.844 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001104347375 1101972067 /nfs/dbraw/zinc/97/20/67/1101972067.db2.gz XEQXPCZIVBNSHV-BHIYHBOVSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001075366247 1101972242 /nfs/dbraw/zinc/97/22/42/1101972242.db2.gz BDLCJLHYKPYVEM-IRXDYDNUSA-N 1 3 331.504 2.844 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001104348476 1101995408 /nfs/dbraw/zinc/99/54/08/1101995408.db2.gz GQCCCJRRWWCKIM-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CC(N(C)CCC(=O)N(C)C)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065933 1102055386 /nfs/dbraw/zinc/05/53/86/1102055386.db2.gz ZGVPXFBTVGVIGZ-IAGOWNOFSA-N 1 3 331.504 2.838 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCc2cccs2)CC1 ZINC001167224870 1102077434 /nfs/dbraw/zinc/07/74/34/1102077434.db2.gz LRMLEVZOKYYWJK-INIZCTEOSA-N 1 3 349.544 2.651 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001167223899 1102078021 /nfs/dbraw/zinc/07/80/21/1102078021.db2.gz DGDWYNZPEANVHF-CYBMUJFWSA-N 1 3 348.318 2.666 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167224409 1102079966 /nfs/dbraw/zinc/07/99/66/1102079966.db2.gz JATRRDRQBVWGME-QGZVFWFLSA-N 1 3 333.520 2.847 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001167224444 1102080901 /nfs/dbraw/zinc/08/09/01/1102080901.db2.gz JZQFZONDVAENDI-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001167232367 1102098329 /nfs/dbraw/zinc/09/83/29/1102098329.db2.gz AGEBEKHAHSUHNE-CYBMUJFWSA-N 1 3 348.318 2.523 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232760 1102099929 /nfs/dbraw/zinc/09/99/29/1102099929.db2.gz PHSDIINKOMIHGA-ZWKOTPCHSA-N 1 3 337.552 2.887 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001167232876 1102100603 /nfs/dbraw/zinc/10/06/03/1102100603.db2.gz SSGSDFBFSXMINR-QGZVFWFLSA-N 1 3 335.536 2.785 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CCCCCF)CC2)C1 ZINC001167240168 1102125591 /nfs/dbraw/zinc/12/55/91/1102125591.db2.gz DIRMRDZTHVJMMU-UHFFFAOYSA-N 1 3 341.515 2.734 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001167257588 1102159677 /nfs/dbraw/zinc/15/96/77/1102159677.db2.gz CAXOCINOBPDTHJ-KRWDZBQOSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362998 1102214552 /nfs/dbraw/zinc/21/45/52/1102214552.db2.gz UGBQGVNDIZNENO-GVDBMIGSSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362952 1102214820 /nfs/dbraw/zinc/21/48/20/1102214820.db2.gz RHCVYXYUEXPMFK-OAGGEKHMSA-N 1 3 329.504 2.539 20 0 EFADHO CN1CC[C@H](Nc2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC001167275780 1102226698 /nfs/dbraw/zinc/22/66/98/1102226698.db2.gz ZDNPPFOBSMXQNU-ZDUSSCGKSA-N 1 3 326.366 2.593 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001271676238 1102235934 /nfs/dbraw/zinc/23/59/34/1102235934.db2.gz LPHZWUNXNFWQBS-FQEVSTJZSA-N 1 3 346.519 2.561 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001104287532 1102581589 /nfs/dbraw/zinc/58/15/89/1102581589.db2.gz GUWOFTYEYXPWLF-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCCCCF ZINC001104287999 1102594036 /nfs/dbraw/zinc/59/40/36/1102594036.db2.gz PDDVOEURDDJODT-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000076311522 1102689587 /nfs/dbraw/zinc/68/95/87/1102689587.db2.gz FZNFDTGXASFATR-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC001480905764 1102778636 /nfs/dbraw/zinc/77/86/36/1102778636.db2.gz ZQOIFLNGCHTECU-SFHVURJKSA-N 1 3 347.478 2.593 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC000970800778 1102784558 /nfs/dbraw/zinc/78/45/58/1102784558.db2.gz UPEBNLNRKFDNTA-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)C2)c1 ZINC000970800793 1102786603 /nfs/dbraw/zinc/78/66/03/1102786603.db2.gz VGGHAAPRDAANEI-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001480907146 1102799543 /nfs/dbraw/zinc/79/95/43/1102799543.db2.gz HBYBWOPNMNSTEI-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291306 1102854487 /nfs/dbraw/zinc/85/44/87/1102854487.db2.gz LPMXJOJQYUFZRG-BSHYLNQHSA-N 1 3 335.536 2.757 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292139 1102861239 /nfs/dbraw/zinc/86/12/39/1102861239.db2.gz LNZXJHCVGQFQLO-ATZDWAIDSA-N 1 3 337.552 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001210811754 1102887713 /nfs/dbraw/zinc/88/77/13/1102887713.db2.gz QMLOZXADLFUAOP-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cnccc2C)C1)N(C)C ZINC001088334255 1102985697 /nfs/dbraw/zinc/98/56/97/1102985697.db2.gz DNADAKABALQTLY-RBUKOAKNSA-N 1 3 346.519 2.591 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088338498 1103012903 /nfs/dbraw/zinc/01/29/03/1103012903.db2.gz HGTRYJHVEBNMSR-MRXNPFEDSA-N 1 3 341.515 2.970 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088338498 1103012921 /nfs/dbraw/zinc/01/29/21/1103012921.db2.gz HGTRYJHVEBNMSR-MRXNPFEDSA-N 1 3 341.515 2.970 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001271932106 1103100629 /nfs/dbraw/zinc/10/06/29/1103100629.db2.gz UCPFPCJTTUNVKP-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO CN(CC(C)(C)C[NH2+]CC1CC(F)(F)C1)C(=O)CN(C)C1CCC1 ZINC001409459775 1103152038 /nfs/dbraw/zinc/15/20/38/1103152038.db2.gz XKQHWSZLQWCRDZ-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001483263140 1103183477 /nfs/dbraw/zinc/18/34/77/1103183477.db2.gz QIXNHMOGDKRBJD-ZOCIIQOWSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001483266574 1103187360 /nfs/dbraw/zinc/18/73/60/1103187360.db2.gz OYQJTOCXWGWJPN-LSDHHAIUSA-N 1 3 337.483 2.959 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272256 1103208902 /nfs/dbraw/zinc/20/89/02/1103208902.db2.gz QIEWIYLDSGMYIG-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@H](NCc2ccccn2)C1)[NH+](C)C ZINC001088375281 1103237844 /nfs/dbraw/zinc/23/78/44/1103237844.db2.gz CCSNCMPOCSQTQS-RBUKOAKNSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)(C)OC(=O)NC12CC(NC3CC[NH+](CC4CC4)CC3)(C1)C2 ZINC001168372469 1103271790 /nfs/dbraw/zinc/27/17/90/1103271790.db2.gz YHFNICZQWJNHPH-UHFFFAOYSA-N 1 3 335.492 2.650 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001088381159 1103320218 /nfs/dbraw/zinc/32/02/18/1103320218.db2.gz YFVMQCARCUMREB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088381385 1103332772 /nfs/dbraw/zinc/33/27/72/1103332772.db2.gz CZSVPPBNVRUHLM-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381360 1103333606 /nfs/dbraw/zinc/33/36/06/1103333606.db2.gz CLIYEQKCUZPOIM-LPHOPBHVSA-N 1 3 341.515 2.968 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCCCC[C@@H](NCCF)C2)cc1 ZINC001088381574 1103335066 /nfs/dbraw/zinc/33/50/66/1103335066.db2.gz HMKCRSQMQUTIBX-LJQANCHMSA-N 1 3 349.494 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CC(F)(F)C2)C1)N(C)C ZINC001088383524 1103349940 /nfs/dbraw/zinc/34/99/40/1103349940.db2.gz GAWUZBBNCGQVLX-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccnc2C)C1)N(C)C ZINC001088383799 1103363027 /nfs/dbraw/zinc/36/30/27/1103363027.db2.gz MYIJPZITVHJCLE-MOPGFXCFSA-N 1 3 346.519 2.591 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001088390204 1103378119 /nfs/dbraw/zinc/37/81/19/1103378119.db2.gz IFJOGFFCOYOBCB-SFHVURJKSA-N 1 3 340.471 2.822 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001088390302 1103381271 /nfs/dbraw/zinc/38/12/71/1103381271.db2.gz KWRSSYCQYRNXQC-QGZVFWFLSA-N 1 3 332.492 2.893 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373403 1103396914 /nfs/dbraw/zinc/39/69/14/1103396914.db2.gz QTNZIQCUTZLSMV-UHFFFAOYSA-N 1 3 349.519 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168373403 1103396928 /nfs/dbraw/zinc/39/69/28/1103396928.db2.gz QTNZIQCUTZLSMV-UHFFFAOYSA-N 1 3 349.519 2.804 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088394819 1103410971 /nfs/dbraw/zinc/41/09/71/1103410971.db2.gz POFKVRDZPDNKPK-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCCN1C(C)C ZINC001409485550 1103435872 /nfs/dbraw/zinc/43/58/72/1103435872.db2.gz OHOMHPBFJFNJCQ-QGZVFWFLSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483394038 1103592096 /nfs/dbraw/zinc/59/20/96/1103592096.db2.gz VPSABEWCYKMKPM-IEODJVTJSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)c1ccccc1F ZINC001483474689 1103782737 /nfs/dbraw/zinc/78/27/37/1103782737.db2.gz MNPRVCJYUHSTBI-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001483484614 1103801397 /nfs/dbraw/zinc/80/13/97/1103801397.db2.gz QOMOKGYEVAPYCC-LJQANCHMSA-N 1 3 331.504 2.644 20 0 EFADHO CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001483560503 1103943708 /nfs/dbraw/zinc/94/37/08/1103943708.db2.gz FLDHIGYOCYROAM-HTWSVDAQSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001127066463 1103962872 /nfs/dbraw/zinc/96/28/72/1103962872.db2.gz PDKOAGVQTLDMCE-KRWDZBQOSA-N 1 3 329.444 2.511 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001127066463 1103962874 /nfs/dbraw/zinc/96/28/74/1103962874.db2.gz PDKOAGVQTLDMCE-KRWDZBQOSA-N 1 3 329.444 2.511 20 0 EFADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127079220 1104039508 /nfs/dbraw/zinc/03/95/08/1104039508.db2.gz ZGWYCYGCFMUKLS-KRWDZBQOSA-N 1 3 337.895 2.727 20 0 EFADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127079220 1104039520 /nfs/dbraw/zinc/03/95/20/1104039520.db2.gz ZGWYCYGCFMUKLS-KRWDZBQOSA-N 1 3 337.895 2.727 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001127081767 1104072055 /nfs/dbraw/zinc/07/20/55/1104072055.db2.gz BEADBZFPPCVLIP-SUMWQHHRSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001127081767 1104072066 /nfs/dbraw/zinc/07/20/66/1104072066.db2.gz BEADBZFPPCVLIP-SUMWQHHRSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001105438471 1104097542 /nfs/dbraw/zinc/09/75/42/1104097542.db2.gz IROONZOBPZPHGE-QFUCXCTJSA-N 1 3 343.515 2.685 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001105438667 1104098905 /nfs/dbraw/zinc/09/89/05/1104098905.db2.gz NQODYDGTJJUYJC-QFUCXCTJSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001105438665 1104099250 /nfs/dbraw/zinc/09/92/50/1104099250.db2.gz NQODYDGTJJUYJC-HFSMHLIXSA-N 1 3 343.515 2.543 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001105438906 1104100122 /nfs/dbraw/zinc/10/01/22/1104100122.db2.gz REYOCPHXPBJCOR-SBHAEUEKSA-N 1 3 345.531 2.789 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@@](C[NH2+]C(C)C)(c2ccccc2)C1)N(C)C ZINC001105438881 1104100676 /nfs/dbraw/zinc/10/06/76/1104100676.db2.gz PRYSGVYNIBIQKZ-CMKODMSKSA-N 1 3 331.504 2.541 20 0 EFADHO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(CC)CC)C1 ZINC001105442925 1104156172 /nfs/dbraw/zinc/15/61/72/1104156172.db2.gz QIBWSPHTOOWYEW-TYKWCNGQSA-N 1 3 345.531 2.935 20 0 EFADHO Cc1cccnc1N1CCC[N@@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001168390276 1104183380 /nfs/dbraw/zinc/18/33/80/1104183380.db2.gz GEKBKLDGTZHSIF-UHFFFAOYSA-N 1 3 328.504 2.777 20 0 EFADHO Cc1cccnc1N1CCC[N@H+](C2CCN(CC3CC3)CC2)CC1 ZINC001168390276 1104183386 /nfs/dbraw/zinc/18/33/86/1104183386.db2.gz GEKBKLDGTZHSIF-UHFFFAOYSA-N 1 3 328.504 2.777 20 0 EFADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)N1CCCCC1 ZINC001168394913 1104199371 /nfs/dbraw/zinc/19/93/71/1104199371.db2.gz HUSOHLBVMMHKNF-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC2CC2)(c2ccccc2)C1 ZINC001105446138 1104204200 /nfs/dbraw/zinc/20/42/00/1104204200.db2.gz DMYWXJGIIZZOGE-TYKWCNGQSA-N 1 3 343.515 2.544 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC(=O)C(C)(C)N1CCCCC1 ZINC000906451769 1104217786 /nfs/dbraw/zinc/21/77/86/1104217786.db2.gz FDBFIUJVHHKNSR-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]CC[C@@H](C)F)CC1)N(C)C ZINC001101550603 1104233852 /nfs/dbraw/zinc/23/38/52/1104233852.db2.gz QJQMKTRWIFRPBP-NVXWUHKLSA-N 1 3 343.531 2.929 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001409561160 1104233975 /nfs/dbraw/zinc/23/39/75/1104233975.db2.gz GKOXPQBBODQUAL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001409561160 1104233984 /nfs/dbraw/zinc/23/39/84/1104233984.db2.gz GKOXPQBBODQUAL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO c1ncc(-c2ccc(CNC3CC[NH+]([C@H]4CCOC4)CC3)cc2)o1 ZINC000906528407 1104273815 /nfs/dbraw/zinc/27/38/15/1104273815.db2.gz XKFLSOMSPIVSRE-SFHVURJKSA-N 1 3 327.428 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC[C@H](C)F)CC1 ZINC001101591283 1104492455 /nfs/dbraw/zinc/49/24/55/1104492455.db2.gz QBOHZXQRVWTQQX-INIZCTEOSA-N 1 3 343.531 2.931 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C/C=C\c1ccccc1 ZINC001409641961 1104585692 /nfs/dbraw/zinc/58/56/92/1104585692.db2.gz RWGVWXRDRISSSA-VOCYLRNQSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C/C=C/c1ccccc1 ZINC001409641893 1104586246 /nfs/dbraw/zinc/58/62/46/1104586246.db2.gz RWGVWXRDRISSSA-HKMNZKMDSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001409648916 1104595350 /nfs/dbraw/zinc/59/53/50/1104595350.db2.gz RDSFZWSYFCETDP-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001409648916 1104595359 /nfs/dbraw/zinc/59/53/59/1104595359.db2.gz RDSFZWSYFCETDP-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000841710525 1104664941 /nfs/dbraw/zinc/66/49/41/1104664941.db2.gz XYDGTGNVQNVZLL-JLAWEPINSA-N 1 3 344.503 2.562 20 0 EFADHO CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000841710527 1104664997 /nfs/dbraw/zinc/66/49/97/1104664997.db2.gz XYDGTGNVQNVZLL-XBMUEBEBSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001482620032 1104674119 /nfs/dbraw/zinc/67/41/19/1104674119.db2.gz YFLHJAZYCNXTTD-WMLDXEAASA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001482620032 1104674122 /nfs/dbraw/zinc/67/41/22/1104674122.db2.gz YFLHJAZYCNXTTD-WMLDXEAASA-N 1 3 337.895 2.885 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001482643456 1104723895 /nfs/dbraw/zinc/72/38/95/1104723895.db2.gz CVNMAPQBEQJUJP-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001482643456 1104723903 /nfs/dbraw/zinc/72/39/03/1104723903.db2.gz CVNMAPQBEQJUJP-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000081329612 1104789817 /nfs/dbraw/zinc/78/98/17/1104789817.db2.gz NDMRNAAEOICDKL-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000081329612 1104789824 /nfs/dbraw/zinc/78/98/24/1104789824.db2.gz NDMRNAAEOICDKL-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C ZINC001088605095 1104851125 /nfs/dbraw/zinc/85/11/25/1104851125.db2.gz GVNAHZNPRSFNNS-NJAFHUGGSA-N 1 3 349.544 2.744 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C ZINC001088605095 1104851132 /nfs/dbraw/zinc/85/11/32/1104851132.db2.gz GVNAHZNPRSFNNS-NJAFHUGGSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001482677977 1104881037 /nfs/dbraw/zinc/88/10/37/1104881037.db2.gz JMCHKABFEHIPIM-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001666825338 1105002895 /nfs/dbraw/zinc/00/28/95/1105002895.db2.gz BGSMYKORBPYRRZ-DVBCCOPCSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000261537539 1105232821 /nfs/dbraw/zinc/23/28/21/1105232821.db2.gz MIXFYEKJHWLMCZ-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988955992 1105399673 /nfs/dbraw/zinc/39/96/73/1105399673.db2.gz NIKTWCLWUISBRA-QFBILLFUSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988955990 1105399781 /nfs/dbraw/zinc/39/97/81/1105399781.db2.gz NIKTWCLWUISBRA-APWZRJJASA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000988956604 1105399931 /nfs/dbraw/zinc/39/99/31/1105399931.db2.gz SCWRUTGCGWRPDN-NVXWUHKLSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956351 1105400613 /nfs/dbraw/zinc/40/06/13/1105400613.db2.gz PWEUQPIUJBZTEC-SJLPKXTDSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000988964688 1105408270 /nfs/dbraw/zinc/40/82/70/1105408270.db2.gz DKDGBGCSEBLPQN-PKOBYXMFSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988971114 1105413220 /nfs/dbraw/zinc/41/32/20/1105413220.db2.gz ZFVYLILTXGMBFW-PBHICJAKSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988971100 1105413420 /nfs/dbraw/zinc/41/34/20/1105413420.db2.gz ZDVQYCZMSINXPY-IEBWSBKVSA-N 1 3 343.515 2.601 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc4c[nH]nc43)cc2)CC1 ZINC000084016290 1105488306 /nfs/dbraw/zinc/48/83/06/1105488306.db2.gz WGWBXDKZUZXBHT-UHFFFAOYSA-N 1 3 349.482 2.600 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001030019532 1105569394 /nfs/dbraw/zinc/56/93/94/1105569394.db2.gz RUBLSPLRWNPOOB-RLFYNMQTSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CCCF)CCC1)N(C)C ZINC001105566420 1105955395 /nfs/dbraw/zinc/95/53/95/1105955395.db2.gz LHFHVFBMNLZFTB-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000897799174 1106100666 /nfs/dbraw/zinc/10/06/66/1106100666.db2.gz KAAYYIRBBLBROB-QAPCUYQASA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000897799174 1106100672 /nfs/dbraw/zinc/10/06/72/1106100672.db2.gz KAAYYIRBBLBROB-QAPCUYQASA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000897960885 1106168284 /nfs/dbraw/zinc/16/82/84/1106168284.db2.gz DXLKKNWRDIGHJI-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000897960885 1106168288 /nfs/dbraw/zinc/16/82/88/1106168288.db2.gz DXLKKNWRDIGHJI-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449082 1106181464 /nfs/dbraw/zinc/18/14/64/1106181464.db2.gz CTSOJPBEAFEHEV-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449083 1106181647 /nfs/dbraw/zinc/18/16/47/1106181647.db2.gz CTSOJPBEAFEHEV-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449692 1106209370 /nfs/dbraw/zinc/20/93/70/1106209370.db2.gz KPMGXXFPQLEPKX-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451789 1106213779 /nfs/dbraw/zinc/21/37/79/1106213779.db2.gz WBCUHJAZUWKMGU-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451853 1106216240 /nfs/dbraw/zinc/21/62/40/1106216240.db2.gz WGAKHWWKVVXMMG-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H]3CC[C@H]2N3C(=O)OC(C)(C)C)CC1 ZINC000898074850 1106225651 /nfs/dbraw/zinc/22/56/51/1106225651.db2.gz XRBSECQKHHPFGS-GVDBMIGSSA-N 1 3 337.508 2.991 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000989452518 1106229988 /nfs/dbraw/zinc/22/99/88/1106229988.db2.gz ZQYVXYGUEMEGRR-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000159057538 1106269622 /nfs/dbraw/zinc/26/96/22/1106269622.db2.gz VPICCQDLGJGETC-RBUKOAKNSA-N 1 3 329.488 2.642 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)C1 ZINC000989481256 1106358489 /nfs/dbraw/zinc/35/84/89/1106358489.db2.gz RVBFEBNPSOQWDL-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)C1 ZINC000989481256 1106358493 /nfs/dbraw/zinc/35/84/93/1106358493.db2.gz RVBFEBNPSOQWDL-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)C1 ZINC000989481259 1106358837 /nfs/dbraw/zinc/35/88/37/1106358837.db2.gz RVBFEBNPSOQWDL-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)C1 ZINC000989481259 1106358841 /nfs/dbraw/zinc/35/88/41/1106358841.db2.gz RVBFEBNPSOQWDL-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989483937 1106360534 /nfs/dbraw/zinc/36/05/34/1106360534.db2.gz ZDZSCQMGNYIIOY-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989483937 1106360538 /nfs/dbraw/zinc/36/05/38/1106360538.db2.gz ZDZSCQMGNYIIOY-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989483940 1106360916 /nfs/dbraw/zinc/36/09/16/1106360916.db2.gz ZDZSCQMGNYIIOY-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989483940 1106360921 /nfs/dbraw/zinc/36/09/21/1106360921.db2.gz ZDZSCQMGNYIIOY-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1C(=O)Cc1c[nH]cn1 ZINC000989490979 1106364693 /nfs/dbraw/zinc/36/46/93/1106364693.db2.gz BVINFWKLXWPLOE-DNVCBOLYSA-N 1 3 348.450 2.885 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491409 1106365381 /nfs/dbraw/zinc/36/53/81/1106365381.db2.gz GHWPERCTNAULSO-YOEHRIQHSA-N 1 3 330.476 2.502 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606839 1106482595 /nfs/dbraw/zinc/48/25/95/1106482595.db2.gz VVXJYZQEOLIURT-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606870 1106482967 /nfs/dbraw/zinc/48/29/67/1106482967.db2.gz WIOZSHZSQVKVDQ-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000989728661 1106601136 /nfs/dbraw/zinc/60/11/36/1106601136.db2.gz RFPVNKIGLWTBLX-OALUTQOASA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)[NH+]1CCCCC1 ZINC000989738431 1106616049 /nfs/dbraw/zinc/61/60/49/1106616049.db2.gz AXQTUBJVGWWXRB-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CN1C(=O)CN1CCCC1 ZINC000989800995 1106658076 /nfs/dbraw/zinc/65/80/76/1106658076.db2.gz WZANBEGMFGQEKC-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C1CCC([NH+](C)C)CC1 ZINC001168319054 1106659590 /nfs/dbraw/zinc/65/95/90/1106659590.db2.gz MZZDEOAKGDCHBG-FHERZECASA-N 1 3 325.497 2.800 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)CN1C(=O)CN1CCCC1 ZINC000989796186 1106666547 /nfs/dbraw/zinc/66/65/47/1106666547.db2.gz INQUQJJLSIICJM-CHWSQXEVSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000989797461 1106668373 /nfs/dbraw/zinc/66/83/73/1106668373.db2.gz XTHIDFYQJPQUDT-DYVFJYSZSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989827174 1106700315 /nfs/dbraw/zinc/70/03/15/1106700315.db2.gz ZRKNDWNNBVEWMR-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989828588 1106701700 /nfs/dbraw/zinc/70/17/00/1106701700.db2.gz GIEYGYAMICATQM-FUHWJXTLSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCC1CC1 ZINC001088860540 1106750627 /nfs/dbraw/zinc/75/06/27/1106750627.db2.gz PTCJXGZUMKBUDT-ALKREAHSSA-N 1 3 339.499 2.578 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCC1CC1 ZINC001088860540 1106750636 /nfs/dbraw/zinc/75/06/36/1106750636.db2.gz PTCJXGZUMKBUDT-ALKREAHSSA-N 1 3 339.499 2.578 20 0 EFADHO CC(=O)c1ccc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)cc1 ZINC001168324429 1106770017 /nfs/dbraw/zinc/77/00/17/1106770017.db2.gz OHFHAIODUGLYKF-UHFFFAOYSA-N 1 3 329.488 2.884 20 0 EFADHO C[NH+](C)CCN1CCC(NCc2ncc(-c3ccccc3)s2)CC1 ZINC000092368905 1106794370 /nfs/dbraw/zinc/79/43/70/1106794370.db2.gz UYOKZTIXCCZOFN-UHFFFAOYSA-N 1 3 344.528 2.926 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168326830 1106875187 /nfs/dbraw/zinc/87/51/87/1106875187.db2.gz NAGYGJHVSBJSDU-QGZVFWFLSA-N 1 3 349.494 2.986 20 0 EFADHO C[NH+](C)C1CCC(N2CCN(Cc3c(F)cccc3F)CC2)CC1 ZINC001168329406 1106935377 /nfs/dbraw/zinc/93/53/77/1106935377.db2.gz SBRKPKLNMVFMMA-UHFFFAOYSA-N 1 3 337.458 2.955 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001168335648 1107158196 /nfs/dbraw/zinc/15/81/96/1107158196.db2.gz NWFOQMADBFXIDV-CQSZACIVSA-N 1 3 349.441 2.689 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971179 1107178007 /nfs/dbraw/zinc/17/80/07/1107178007.db2.gz FWPSZDUYKULPEW-APWZRJJASA-N 1 3 333.520 2.654 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001088981012 1107195660 /nfs/dbraw/zinc/19/56/60/1107195660.db2.gz YZWZWOAYXCAALQ-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001088981012 1107195669 /nfs/dbraw/zinc/19/56/69/1107195669.db2.gz YZWZWOAYXCAALQ-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168346204 1107390954 /nfs/dbraw/zinc/39/09/54/1107390954.db2.gz XIZNOTDDWOAVIA-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001099098967 1107417283 /nfs/dbraw/zinc/41/72/83/1107417283.db2.gz ZOQJSMQHJCKUIE-HOTGVXAUSA-N 1 3 329.504 2.683 20 0 EFADHO CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001099098967 1107417292 /nfs/dbraw/zinc/41/72/92/1107417292.db2.gz ZOQJSMQHJCKUIE-HOTGVXAUSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)s1 ZINC000990243685 1107552293 /nfs/dbraw/zinc/55/22/93/1107552293.db2.gz JALDQWGTSIMLRO-KRWDZBQOSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000990243322 1107552400 /nfs/dbraw/zinc/55/24/00/1107552400.db2.gz DFEQKAKIWBYENY-KDOFPFPSSA-N 1 3 333.451 2.562 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990243334 1107553017 /nfs/dbraw/zinc/55/30/17/1107553017.db2.gz DJKGZLYVNONFGU-SFHVURJKSA-N 1 3 349.906 2.823 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990276867 1107586864 /nfs/dbraw/zinc/58/68/64/1107586864.db2.gz KHIAQMMINHNWCD-RBUKOAKNSA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990276868 1107588510 /nfs/dbraw/zinc/58/85/10/1107588510.db2.gz KHIAQMMINHNWCD-RTBURBONSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000990276419 1107588532 /nfs/dbraw/zinc/58/85/32/1107588532.db2.gz IWIORSCOTVGNEM-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000990275902 1107588674 /nfs/dbraw/zinc/58/86/74/1107588674.db2.gz DINUXXUXTNGFPX-QGZVFWFLSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001089135870 1107593431 /nfs/dbraw/zinc/59/34/31/1107593431.db2.gz BYXRDQZNKOHHLE-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001089135870 1107593437 /nfs/dbraw/zinc/59/34/37/1107593437.db2.gz BYXRDQZNKOHHLE-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC001089136364 1107596893 /nfs/dbraw/zinc/59/68/93/1107596893.db2.gz JTORNPQDAYZNBS-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001089136364 1107596899 /nfs/dbraw/zinc/59/68/99/1107596899.db2.gz JTORNPQDAYZNBS-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001089136953 1107602059 /nfs/dbraw/zinc/60/20/59/1107602059.db2.gz RIJNNYLLJHCMOC-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001089136953 1107602068 /nfs/dbraw/zinc/60/20/68/1107602068.db2.gz RIJNNYLLJHCMOC-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483693879 1107942231 /nfs/dbraw/zinc/94/22/31/1107942231.db2.gz QKEPXHPFFVWUDN-ROUUACIJSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483693879 1107942238 /nfs/dbraw/zinc/94/22/38/1107942238.db2.gz QKEPXHPFFVWUDN-ROUUACIJSA-N 1 3 331.504 2.978 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc2ccccc21 ZINC000904483642 1107970749 /nfs/dbraw/zinc/97/07/49/1107970749.db2.gz KXAWVMZSABDPEV-HZPDHXFCSA-N 1 3 325.456 2.688 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC1 ZINC001483698820 1107977267 /nfs/dbraw/zinc/97/72/67/1107977267.db2.gz WZSCCQMMDNVBJP-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2CCNC(C)(C)C2)c1 ZINC000904618162 1108044321 /nfs/dbraw/zinc/04/43/21/1108044321.db2.gz UVLWMKNTOHZNCG-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccccc3C[NH3+])C2)cc1 ZINC000904626882 1108070043 /nfs/dbraw/zinc/07/00/43/1108070043.db2.gz SUWWWYCSOKDPKK-SFHVURJKSA-N 1 3 338.455 2.850 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089232993 1108110928 /nfs/dbraw/zinc/11/09/28/1108110928.db2.gz GSUDZZIIJNLUAI-KRWDZBQOSA-N 1 3 332.492 2.701 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089232993 1108110936 /nfs/dbraw/zinc/11/09/36/1108110936.db2.gz GSUDZZIIJNLUAI-KRWDZBQOSA-N 1 3 332.492 2.701 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCCC2)C1 ZINC001272385126 1108140012 /nfs/dbraw/zinc/14/00/12/1108140012.db2.gz VHVQAGUSGTWHIY-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272412309 1108212559 /nfs/dbraw/zinc/21/25/59/1108212559.db2.gz AAZGTWVQYWJWSI-TZIWHRDSSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272412309 1108212570 /nfs/dbraw/zinc/21/25/70/1108212570.db2.gz AAZGTWVQYWJWSI-TZIWHRDSSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415485 1108229034 /nfs/dbraw/zinc/22/90/34/1108229034.db2.gz PJLHEFQGHTVMCV-QUCCMNQESA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415485 1108229042 /nfs/dbraw/zinc/22/90/42/1108229042.db2.gz PJLHEFQGHTVMCV-QUCCMNQESA-N 1 3 335.536 2.855 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040393356 1108330920 /nfs/dbraw/zinc/33/09/20/1108330920.db2.gz AYNGPKNXYXFMEQ-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040393356 1108330935 /nfs/dbraw/zinc/33/09/35/1108330935.db2.gz AYNGPKNXYXFMEQ-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393410 1108343053 /nfs/dbraw/zinc/34/30/53/1108343053.db2.gz BNZGCBYZGWSQTD-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393410 1108343067 /nfs/dbraw/zinc/34/30/67/1108343067.db2.gz BNZGCBYZGWSQTD-ICSRJNTNSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272448329 1108345703 /nfs/dbraw/zinc/34/57/03/1108345703.db2.gz HUVBKQCEYBMGDZ-HXUWFJFHSA-N 1 3 329.488 2.584 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272448329 1108345717 /nfs/dbraw/zinc/34/57/17/1108345717.db2.gz HUVBKQCEYBMGDZ-HXUWFJFHSA-N 1 3 329.488 2.584 20 0 EFADHO CCC[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001272453995 1108363321 /nfs/dbraw/zinc/36/33/21/1108363321.db2.gz PRJVTROMGPYYHR-GOSISDBHSA-N 1 3 329.488 2.624 20 0 EFADHO CN(C)CCN1C(=O)C2(CC[NH+](CC3CC3)CC2)[C@H]1c1ccccc1 ZINC001272484381 1108470436 /nfs/dbraw/zinc/47/04/36/1108470436.db2.gz SMKZKCBNUJGKFV-LJQANCHMSA-N 1 3 341.499 2.624 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cs1 ZINC001483734178 1108487393 /nfs/dbraw/zinc/48/73/93/1108487393.db2.gz QQKQQKSWESTCNQ-MRXNPFEDSA-N 1 3 335.517 2.668 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)cs1 ZINC001483734178 1108487398 /nfs/dbraw/zinc/48/73/98/1108487398.db2.gz QQKQQKSWESTCNQ-MRXNPFEDSA-N 1 3 335.517 2.668 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1)c1ccccc1F ZINC001030020135 1108634648 /nfs/dbraw/zinc/63/46/48/1108634648.db2.gz ARVQTLHDVJWRHS-RVKKMQEKSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001167045652 1108678548 /nfs/dbraw/zinc/67/85/48/1108678548.db2.gz WMBJMXIOJGTWGD-LJQANCHMSA-N 1 3 345.531 2.691 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000924704960 1108754514 /nfs/dbraw/zinc/75/45/14/1108754514.db2.gz JEOKERSEOIWWRN-OAHLLOKOSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001075333441 1108760329 /nfs/dbraw/zinc/76/03/29/1108760329.db2.gz RSBMZPUEMNWGMY-FUHWJXTLSA-N 1 3 335.536 2.593 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C\Cl)CCCCC2)CCC1 ZINC001115571710 1108765278 /nfs/dbraw/zinc/76/52/78/1108765278.db2.gz LRZRVGQPMLGXTI-GHXNOFRVSA-N 1 3 327.900 2.632 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001075335118 1108779803 /nfs/dbraw/zinc/77/98/03/1108779803.db2.gz IZOHAMMDONFTNU-FUHWJXTLSA-N 1 3 340.471 2.535 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001075334697 1108780255 /nfs/dbraw/zinc/78/02/55/1108780255.db2.gz CEXSMCSEDWRYTC-DOTOQJQBSA-N 1 3 330.476 2.527 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001075335584 1108780437 /nfs/dbraw/zinc/78/04/37/1108780437.db2.gz PRYIRJGRXUJYJV-WMZOPIPTSA-N 1 3 340.471 2.535 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001075336259 1108784654 /nfs/dbraw/zinc/78/46/54/1108784654.db2.gz ZYGPYKRGXKAKDG-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1)N(C)C ZINC001030020902 1108839821 /nfs/dbraw/zinc/83/98/21/1108839821.db2.gz KXLZGTWAVZIMGB-OWCLPIDISA-N 1 3 345.478 2.589 20 0 EFADHO CCOC(=O)Cc1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168365189 1109267535 /nfs/dbraw/zinc/26/75/35/1109267535.db2.gz NEGFIHOQQAELOK-UHFFFAOYSA-N 1 3 330.472 2.756 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001483137228 1109609609 /nfs/dbraw/zinc/60/96/09/1109609609.db2.gz NLBTXICDRMSWPU-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO O=C(c1ccc(F)cc1)N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366481 1109693826 /nfs/dbraw/zinc/69/38/26/1109693826.db2.gz UJKCETZNRJIBTA-IBGZPJMESA-N 1 3 345.462 2.504 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244089 1109727753 /nfs/dbraw/zinc/72/77/53/1109727753.db2.gz LZACKENGROPUNH-FRQCXROJSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244089 1109727755 /nfs/dbraw/zinc/72/77/55/1109727755.db2.gz LZACKENGROPUNH-FRQCXROJSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CN(C)CC(C)(C)C ZINC001483166177 1109920478 /nfs/dbraw/zinc/92/04/78/1109920478.db2.gz CDYOIKUGCRNWKP-RDTXWAMCSA-N 1 3 349.494 2.885 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001483171869 1109929183 /nfs/dbraw/zinc/92/91/83/1109929183.db2.gz BUZBQHDINRCPFU-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076603935 1109943744 /nfs/dbraw/zinc/94/37/44/1109943744.db2.gz DKCPQCVONVFMQN-ZYSHUDEJSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076603935 1109943748 /nfs/dbraw/zinc/94/37/48/1109943748.db2.gz DKCPQCVONVFMQN-ZYSHUDEJSA-N 1 3 347.478 2.643 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604302 1109950340 /nfs/dbraw/zinc/95/03/40/1109950340.db2.gz XGMKRRNHSKMGFI-RBUKOAKNSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604302 1109950344 /nfs/dbraw/zinc/95/03/44/1109950344.db2.gz XGMKRRNHSKMGFI-RBUKOAKNSA-N 1 3 329.488 2.551 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)c(C)s1 ZINC001088836241 1110064265 /nfs/dbraw/zinc/06/42/65/1110064265.db2.gz LWAGWZQSMLIQEY-KDOFPFPSSA-N 1 3 349.544 2.786 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247436 1111215092 /nfs/dbraw/zinc/21/50/92/1111215092.db2.gz ZCRIRRSTNXYUNX-HNGSOEQISA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106249469 1111219455 /nfs/dbraw/zinc/21/94/55/1111219455.db2.gz IPUSTHHNSUBUAU-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106249722 1111219745 /nfs/dbraw/zinc/21/97/45/1111219745.db2.gz PEWSJBSONDUDJY-LZQZEXGQSA-N 1 3 335.536 2.591 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250051 1111221665 /nfs/dbraw/zinc/22/16/65/1111221665.db2.gz XGRYMYONWKKVMM-LNBJZGINSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)C(C)(C)N1CCCCC1)c1ccc(F)cc1 ZINC001127317069 1111347239 /nfs/dbraw/zinc/34/72/39/1111347239.db2.gz HUHSCZORWUHNNP-OAHLLOKOSA-N 1 3 335.467 2.857 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001106339964 1111433139 /nfs/dbraw/zinc/43/31/39/1111433139.db2.gz HIGVTDXCBRPCRX-HZPDHXFCSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F)N1CCCCC1 ZINC001127326713 1111447184 /nfs/dbraw/zinc/44/71/84/1111447184.db2.gz AGFBOGQOZZKKPR-OAHLLOKOSA-N 1 3 345.478 2.782 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1)N(C)C ZINC001272608704 1111553501 /nfs/dbraw/zinc/55/35/01/1111553501.db2.gz UZDHGOJAHYPOHU-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1)N(C)C ZINC001272608704 1111553503 /nfs/dbraw/zinc/55/35/03/1111553503.db2.gz UZDHGOJAHYPOHU-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106633652 1111683890 /nfs/dbraw/zinc/68/38/90/1111683890.db2.gz QQPMWUDYQOBRDR-BRWVUGGUSA-N 1 3 325.541 2.693 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3CCCC3)[C@H](C)C2)C1 ZINC001106666503 1111709333 /nfs/dbraw/zinc/70/93/33/1111709333.db2.gz MQYGPUQYSMATQQ-ZHALLVOQSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106669130 1111712220 /nfs/dbraw/zinc/71/22/20/1111712220.db2.gz XMXUJKIMCWDROC-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1)N(C)C ZINC001106674053 1111712249 /nfs/dbraw/zinc/71/22/49/1111712249.db2.gz PGKRLCFTRBIJMU-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672521 1111713578 /nfs/dbraw/zinc/71/35/78/1111713578.db2.gz AUWDBJWXOFOYHF-BRWVUGGUSA-N 1 3 325.541 2.695 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c(C)c1 ZINC001272638160 1111793327 /nfs/dbraw/zinc/79/33/27/1111793327.db2.gz FZSYQOLUHZHAGG-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)c(C)c1 ZINC001272638160 1111793334 /nfs/dbraw/zinc/79/33/34/1111793334.db2.gz FZSYQOLUHZHAGG-OAQYLSRUSA-N 1 3 343.515 2.598 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001106784143 1111829814 /nfs/dbraw/zinc/82/98/14/1111829814.db2.gz CBVKQMCLNNEONU-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798633 1111850232 /nfs/dbraw/zinc/85/02/32/1111850232.db2.gz NQTCLABRWIHQPP-IEBWSBKVSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317817 1112035950 /nfs/dbraw/zinc/03/59/50/1112035950.db2.gz RKZCHQSCBSISDS-KFWWJZLASA-N 1 3 349.441 2.637 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491499 1112226106 /nfs/dbraw/zinc/22/61/06/1112226106.db2.gz OCXIDBUQZLZRTK-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491499 1112226110 /nfs/dbraw/zinc/22/61/10/1112226110.db2.gz OCXIDBUQZLZRTK-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491501 1112226436 /nfs/dbraw/zinc/22/64/36/1112226436.db2.gz OCXIDBUQZLZRTK-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491501 1112226439 /nfs/dbraw/zinc/22/64/39/1112226439.db2.gz OCXIDBUQZLZRTK-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492606 1112227354 /nfs/dbraw/zinc/22/73/54/1112227354.db2.gz LLSBCFQIBRHRDO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492606 1112227357 /nfs/dbraw/zinc/22/73/57/1112227357.db2.gz LLSBCFQIBRHRDO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509381 1112251522 /nfs/dbraw/zinc/25/15/22/1112251522.db2.gz BMMHFOLNRWLBBG-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509381 1112251525 /nfs/dbraw/zinc/25/15/25/1112251525.db2.gz BMMHFOLNRWLBBG-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089536254 1112275950 /nfs/dbraw/zinc/27/59/50/1112275950.db2.gz AMWTYSBIISIECO-KEMBLGFASA-N 1 3 341.927 2.688 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089536254 1112275954 /nfs/dbraw/zinc/27/59/54/1112275954.db2.gz AMWTYSBIISIECO-KEMBLGFASA-N 1 3 341.927 2.688 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)CC(C)(C)C1 ZINC001089548389 1112293046 /nfs/dbraw/zinc/29/30/46/1112293046.db2.gz KKXVHYGGZLQCOL-MRXNPFEDSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC(C)(C)C1 ZINC001089548389 1112293048 /nfs/dbraw/zinc/29/30/48/1112293048.db2.gz KKXVHYGGZLQCOL-MRXNPFEDSA-N 1 3 334.508 2.914 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548668 1112294068 /nfs/dbraw/zinc/29/40/68/1112294068.db2.gz OOAZFECZACSDHT-MRXNPFEDSA-N 1 3 332.492 2.834 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548668 1112294071 /nfs/dbraw/zinc/29/40/71/1112294071.db2.gz OOAZFECZACSDHT-MRXNPFEDSA-N 1 3 332.492 2.834 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001031715352 1112416582 /nfs/dbraw/zinc/41/65/82/1112416582.db2.gz RXKIUKSHVXQIBM-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001031715352 1112416583 /nfs/dbraw/zinc/41/65/83/1112416583.db2.gz RXKIUKSHVXQIBM-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089639568 1112429134 /nfs/dbraw/zinc/42/91/34/1112429134.db2.gz XOPMEQQTWPKPNF-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089639568 1112429135 /nfs/dbraw/zinc/42/91/35/1112429135.db2.gz XOPMEQQTWPKPNF-IAGOWNOFSA-N 1 3 341.515 2.826 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089648549 1112447364 /nfs/dbraw/zinc/44/73/64/1112447364.db2.gz MFSJCRGGTCJCMD-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089648549 1112447366 /nfs/dbraw/zinc/44/73/66/1112447366.db2.gz MFSJCRGGTCJCMD-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1C ZINC001272678425 1112463274 /nfs/dbraw/zinc/46/32/74/1112463274.db2.gz MMSYGSZXCTXBRE-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1C ZINC001272678425 1112463279 /nfs/dbraw/zinc/46/32/79/1112463279.db2.gz MMSYGSZXCTXBRE-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)ccc1F ZINC001272685766 1113048325 /nfs/dbraw/zinc/04/83/25/1113048325.db2.gz DMJSQNNEMYIVHM-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]C/C=C\Cl)CCC1)N1CCCCC1 ZINC001484634391 1113073232 /nfs/dbraw/zinc/07/32/32/1113073232.db2.gz LECNUSXTQTWWAJ-YFHOEESVSA-N 1 3 327.900 2.632 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819598 1117818431 /nfs/dbraw/zinc/81/84/31/1117818431.db2.gz HPILSSRAEXSMLG-RNQOJCNYSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819598 1117818436 /nfs/dbraw/zinc/81/84/36/1117818436.db2.gz HPILSSRAEXSMLG-RNQOJCNYSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821772 1117926315 /nfs/dbraw/zinc/92/63/15/1117926315.db2.gz YGVFSURSYXMMKG-VJANTYMQSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001089821772 1117926320 /nfs/dbraw/zinc/92/63/20/1117926320.db2.gz YGVFSURSYXMMKG-VJANTYMQSA-N 1 3 347.547 2.686 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485066809 1117989356 /nfs/dbraw/zinc/98/93/56/1117989356.db2.gz BNMCXMQTDNMPCA-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089844953 1118240707 /nfs/dbraw/zinc/24/07/07/1118240707.db2.gz CJZMOKGTASDPAT-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCC2)C1 ZINC001089844953 1118240710 /nfs/dbraw/zinc/24/07/10/1118240710.db2.gz CJZMOKGTASDPAT-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001485324150 1118254720 /nfs/dbraw/zinc/25/47/20/1118254720.db2.gz DGIZTNGKGJYGBL-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001485351015 1118273582 /nfs/dbraw/zinc/27/35/82/1118273582.db2.gz RJIXNBZNUQKIIJ-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001485351015 1118273584 /nfs/dbraw/zinc/27/35/84/1118273584.db2.gz RJIXNBZNUQKIIJ-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001485508613 1118427219 /nfs/dbraw/zinc/42/72/19/1118427219.db2.gz HHBYKBDFXLLPLC-IRXDYDNUSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)C2)CC1(C)C ZINC000941186706 1118683438 /nfs/dbraw/zinc/68/34/38/1118683438.db2.gz PJDWZLUWFQNZJD-PGEKIEPBSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)CC1(C)C ZINC000941186706 1118683441 /nfs/dbraw/zinc/68/34/41/1118683441.db2.gz PJDWZLUWFQNZJD-PGEKIEPBSA-N 1 3 332.492 2.523 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(C)(C)C2)C1 ZINC001089862924 1118805325 /nfs/dbraw/zinc/80/53/25/1118805325.db2.gz QVSYHEQMKKRXQC-VJANTYMQSA-N 1 3 347.547 2.687 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(C)(C)C2)C1 ZINC001089862924 1118805327 /nfs/dbraw/zinc/80/53/27/1118805327.db2.gz QVSYHEQMKKRXQC-VJANTYMQSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863155 1118817167 /nfs/dbraw/zinc/81/71/67/1118817167.db2.gz VBWYAGMCIHUDLY-RDGPPVDQSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863155 1118817171 /nfs/dbraw/zinc/81/71/71/1118817171.db2.gz VBWYAGMCIHUDLY-RDGPPVDQSA-N 1 3 347.547 2.543 20 0 EFADHO CC[C@H](C)NC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272716939 1118946331 /nfs/dbraw/zinc/94/63/31/1118946331.db2.gz NHVDPBJVYNBMRS-ROUUACIJSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C)NC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272716938 1118946342 /nfs/dbraw/zinc/94/63/42/1118946342.db2.gz NHVDPBJVYNBMRS-QZTJIDSGSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001032026432 1118953864 /nfs/dbraw/zinc/95/38/64/1118953864.db2.gz FQBWSZZNRGVKMM-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558590 1118961607 /nfs/dbraw/zinc/96/16/07/1118961607.db2.gz YTRXHVRXEVRNDO-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558590 1118961611 /nfs/dbraw/zinc/96/16/11/1118961611.db2.gz YTRXHVRXEVRNDO-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558590 1118961613 /nfs/dbraw/zinc/96/16/13/1118961613.db2.gz YTRXHVRXEVRNDO-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042454 1119070004 /nfs/dbraw/zinc/07/00/04/1119070004.db2.gz ALDPSPNYXSRDMO-OALUTQOASA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042454 1119070006 /nfs/dbraw/zinc/07/00/06/1119070006.db2.gz ALDPSPNYXSRDMO-OALUTQOASA-N 1 3 331.504 2.552 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042876 1119072664 /nfs/dbraw/zinc/07/26/64/1119072664.db2.gz MYFJUEHRHPXIIV-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042876 1119072666 /nfs/dbraw/zinc/07/26/66/1119072666.db2.gz MYFJUEHRHPXIIV-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)c1 ZINC001032043254 1119078174 /nfs/dbraw/zinc/07/81/74/1119078174.db2.gz YBBPUYYVLQRBGQ-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC001032043254 1119078177 /nfs/dbraw/zinc/07/81/77/1119078177.db2.gz YBBPUYYVLQRBGQ-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289739 1119401781 /nfs/dbraw/zinc/40/17/81/1119401781.db2.gz RQCJFJWAAZZFBO-CRAIPNDOSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2CN(CC3=CCCCC3)C2)CC1 ZINC001032094036 1119602897 /nfs/dbraw/zinc/60/28/97/1119602897.db2.gz CGMCQUVSVCZMQT-UHFFFAOYSA-N 1 3 333.520 2.655 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001107035911 1120013604 /nfs/dbraw/zinc/01/36/04/1120013604.db2.gz DMLKMDOBYGLQIA-KURKYZTESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2F)[C@H](C)C1 ZINC001107042289 1120066895 /nfs/dbraw/zinc/06/68/95/1120066895.db2.gz FKYBFWIIUXSLLV-IXDOHACOSA-N 1 3 349.494 2.911 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001107042296 1120067216 /nfs/dbraw/zinc/06/72/16/1120067216.db2.gz FRDRAJQAJJGCJF-ZHALLVOQSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C[C@@H]1C ZINC000944446244 1120194645 /nfs/dbraw/zinc/19/46/45/1120194645.db2.gz TXRWNJCWPPOQMM-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C[C@@H]1C ZINC000944446244 1120194648 /nfs/dbraw/zinc/19/46/48/1120194648.db2.gz TXRWNJCWPPOQMM-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C[C@H]1C ZINC000944446242 1120195017 /nfs/dbraw/zinc/19/50/17/1120195017.db2.gz TXRWNJCWPPOQMM-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C[C@H]1C ZINC000944446242 1120195019 /nfs/dbraw/zinc/19/50/19/1120195019.db2.gz TXRWNJCWPPOQMM-PBHICJAKSA-N 1 3 332.492 2.668 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032205980 1120199131 /nfs/dbraw/zinc/19/91/31/1120199131.db2.gz OENDLNOWZHALJT-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001032206012 1120199428 /nfs/dbraw/zinc/19/94/28/1120199428.db2.gz PDISDCAVYJAFKK-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001032205983 1120199506 /nfs/dbraw/zinc/19/95/06/1120199506.db2.gz OENDLNOWZHALJT-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001032207316 1120201336 /nfs/dbraw/zinc/20/13/36/1120201336.db2.gz MLSUSQHXXUQFIO-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000184161047 529386380 /nfs/dbraw/zinc/38/63/80/529386380.db2.gz DNHSDOIBGLMFIM-HXUWFJFHSA-N 1 3 329.488 2.642 20 0 EFADHO COc1ccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173952812 231078947 /nfs/dbraw/zinc/07/89/47/231078947.db2.gz GXBLWQGRTJCCEZ-UHFFFAOYSA-N 1 3 348.487 2.651 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000264489497 282241274 /nfs/dbraw/zinc/24/12/74/282241274.db2.gz PIUJBKJFFNDLCU-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1nn(-c2ccncc2)cc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000347068396 282250618 /nfs/dbraw/zinc/25/06/18/282250618.db2.gz NXNGTWXGLNWSFY-LJQANCHMSA-N 1 3 325.460 2.540 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1 ZINC000101602726 219144144 /nfs/dbraw/zinc/14/41/44/219144144.db2.gz IVWFNLULCDCIHP-KRWDZBQOSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1 ZINC000101602726 219144148 /nfs/dbraw/zinc/14/41/48/219144148.db2.gz IVWFNLULCDCIHP-KRWDZBQOSA-N 1 3 336.455 2.706 20 0 EFADHO CN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000174782381 530048002 /nfs/dbraw/zinc/04/80/02/530048002.db2.gz NKCDZFYHEDKPDS-IHWFROFDSA-N 1 3 341.499 2.640 20 0 EFADHO CN1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000174782381 530048003 /nfs/dbraw/zinc/04/80/03/530048003.db2.gz NKCDZFYHEDKPDS-IHWFROFDSA-N 1 3 341.499 2.640 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413521 232159879 /nfs/dbraw/zinc/15/98/79/232159879.db2.gz KMBOBSDAXQKLTR-OAHLLOKOSA-N 1 3 339.505 2.585 20 0 EFADHO CCCC[C@H](CN)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000414816322 535035606 /nfs/dbraw/zinc/03/56/06/535035606.db2.gz PKMOLAICPJZFME-GFCCVEGCSA-N 1 3 325.254 2.704 20 0 EFADHO Clc1sc(Cl)c2c1CCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423208263 282549060 /nfs/dbraw/zinc/54/90/60/282549060.db2.gz SOGFSQHHLKZNRY-NSHDSACASA-N 1 3 334.316 2.927 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@H](C)O1 ZINC000067452651 215148333 /nfs/dbraw/zinc/14/83/33/215148333.db2.gz LNTQRYVRHSOAFA-ROUUACIJSA-N 1 3 342.487 2.851 20 0 EFADHO COc1cc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000067453144 215148435 /nfs/dbraw/zinc/14/84/35/215148435.db2.gz RWOPUBVDFAZLDS-HOTGVXAUSA-N 1 3 336.476 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000104150121 219353263 /nfs/dbraw/zinc/35/32/63/219353263.db2.gz CFPHASSZZWTQFR-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000104199201 219359835 /nfs/dbraw/zinc/35/98/35/219359835.db2.gz NHEXEWCDIDWYKE-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501273 295851739 /nfs/dbraw/zinc/85/17/39/295851739.db2.gz QNULWBMIJCDUET-KBXCAEBGSA-N 1 3 328.460 2.656 20 0 EFADHO CC(C)(N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000236789857 535195811 /nfs/dbraw/zinc/19/58/11/535195811.db2.gz METMTYSFBJSBOO-UHFFFAOYSA-N 1 3 331.504 2.575 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000416780050 283004188 /nfs/dbraw/zinc/00/41/88/283004188.db2.gz CBMXGLGVXXJGBR-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000373564614 291044458 /nfs/dbraw/zinc/04/44/58/291044458.db2.gz ZEJPBPVPSFZGJT-JKQORVJESA-N 1 3 335.517 2.635 20 0 EFADHO Cc1cncc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000184289665 235356927 /nfs/dbraw/zinc/35/69/27/235356927.db2.gz MBTRFXZQXZYDLG-SFHVURJKSA-N 1 3 338.499 2.988 20 0 EFADHO C[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000375803626 283137694 /nfs/dbraw/zinc/13/76/94/283137694.db2.gz DLKXDAIAKFUCJI-QAETUUGQSA-N 1 3 337.508 2.752 20 0 EFADHO C[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000375803626 283137697 /nfs/dbraw/zinc/13/76/97/283137697.db2.gz DLKXDAIAKFUCJI-QAETUUGQSA-N 1 3 337.508 2.752 20 0 EFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000245916747 283159748 /nfs/dbraw/zinc/15/97/48/283159748.db2.gz GMKVYHMGHVMICN-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000344543923 283220218 /nfs/dbraw/zinc/22/02/18/283220218.db2.gz VOLHGKMHUMYBAK-SJORKVTESA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000350106233 283237664 /nfs/dbraw/zinc/23/76/64/283237664.db2.gz ATSPDMGTPVBSFU-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000351785543 283237751 /nfs/dbraw/zinc/23/77/51/283237751.db2.gz OPQATKZOMPLSHN-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376577886 283246106 /nfs/dbraw/zinc/24/61/06/283246106.db2.gz GBVQSJOAPSPGRP-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376577886 283246107 /nfs/dbraw/zinc/24/61/07/283246107.db2.gz GBVQSJOAPSPGRP-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000262668725 291125155 /nfs/dbraw/zinc/12/51/55/291125155.db2.gz LUYVLTXLBJDTMW-QXAKKESOSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)CCC[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414183548 535384632 /nfs/dbraw/zinc/38/46/32/535384632.db2.gz FBPIQMOMZQIOSS-GOSISDBHSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353110163 283341290 /nfs/dbraw/zinc/34/12/90/283341290.db2.gz JYVRAWCLPYENDC-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000353110163 283341291 /nfs/dbraw/zinc/34/12/91/283341291.db2.gz JYVRAWCLPYENDC-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000072293963 216130683 /nfs/dbraw/zinc/13/06/83/216130683.db2.gz AIYAOFCIKJBMMU-HOCLYGCPSA-N 1 3 347.459 2.549 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000072293963 216130684 /nfs/dbraw/zinc/13/06/84/216130684.db2.gz AIYAOFCIKJBMMU-HOCLYGCPSA-N 1 3 347.459 2.549 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1OCCN(C)C ZINC000422819269 296023017 /nfs/dbraw/zinc/02/30/17/296023017.db2.gz HXLOZQFKPFWMFA-YLJYHZDGSA-N 1 3 341.499 2.675 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000193930727 240366984 /nfs/dbraw/zinc/36/69/84/240366984.db2.gz RCRXWGSRJWBHNW-FQEVSTJZSA-N 1 3 341.499 2.814 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000193930713 240367018 /nfs/dbraw/zinc/36/70/18/240367018.db2.gz RCRXWGSRJWBHNW-HXUWFJFHSA-N 1 3 341.499 2.814 20 0 EFADHO C[C@H](NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423023974 299319385 /nfs/dbraw/zinc/31/93/85/299319385.db2.gz KZRCDJXXKBJERR-PPHDSNJXSA-N 1 3 325.859 2.669 20 0 EFADHO C[C@H]1CN(CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000191473777 239133687 /nfs/dbraw/zinc/13/36/87/239133687.db2.gz RMXMEOQDUIIFDI-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1CN(CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000191473777 239133694 /nfs/dbraw/zinc/13/36/94/239133694.db2.gz RMXMEOQDUIIFDI-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H](CC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000193406515 240151904 /nfs/dbraw/zinc/15/19/04/240151904.db2.gz BQTUDHORZUXVIN-MGPUTAFESA-N 1 3 339.483 2.982 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000193874566 240343050 /nfs/dbraw/zinc/34/30/50/240343050.db2.gz BUVKBSLJQZOTCX-MFKWGIFDSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]C1 ZINC000430698143 291354734 /nfs/dbraw/zinc/35/47/34/291354734.db2.gz CAZZETAXZUAZIT-SFTDATJTSA-N 1 3 341.499 2.501 20 0 EFADHO O=C([C@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000358519773 296090698 /nfs/dbraw/zinc/09/06/98/296090698.db2.gz SQATUSWRTRQTGO-IBGZPJMESA-N 1 3 341.499 2.816 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000230099157 242231202 /nfs/dbraw/zinc/23/12/02/242231202.db2.gz QOXZSOFJCWJHBI-XCJLJZCSSA-N 1 3 340.467 2.987 20 0 EFADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000133031595 223383477 /nfs/dbraw/zinc/38/34/77/223383477.db2.gz SGHGXUZSEKGBFK-LPHOPBHVSA-N 1 3 330.472 2.991 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1 ZINC000236664442 242312607 /nfs/dbraw/zinc/31/26/07/242312607.db2.gz QAWFOSHNXMAKOO-HXUWFJFHSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1 ZINC000236664442 242312613 /nfs/dbraw/zinc/31/26/13/242312613.db2.gz QAWFOSHNXMAKOO-HXUWFJFHSA-N 1 3 339.483 2.886 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@@H]3CCN4CCCC[C@@H]34)CC2)cc1 ZINC000236681459 242318995 /nfs/dbraw/zinc/31/89/95/242318995.db2.gz OMQRDXJOMIBXNQ-RTWAWAEBSA-N 1 3 327.516 2.910 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236704138 242328308 /nfs/dbraw/zinc/32/83/08/242328308.db2.gz FADWZKCQXCEILF-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236704138 242328313 /nfs/dbraw/zinc/32/83/13/242328313.db2.gz FADWZKCQXCEILF-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000236706214 242328337 /nfs/dbraw/zinc/32/83/37/242328337.db2.gz GJIHJAUZRALDCK-WMZOPIPTSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000262288423 284004324 /nfs/dbraw/zinc/00/43/24/284004324.db2.gz GIIOXRDSHZROLP-HKUYNNGSSA-N 1 3 335.492 2.712 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCCCN1 ZINC000166416292 284006995 /nfs/dbraw/zinc/00/69/95/284006995.db2.gz GYKQTGMPEJXYNP-IBGZPJMESA-N 1 3 329.488 2.821 20 0 EFADHO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@H]3CCCN3C)ccc2NC1=O ZINC000245856337 243162696 /nfs/dbraw/zinc/16/26/96/243162696.db2.gz HLDWJOQYDODGFY-UNEWFSDZSA-N 1 3 331.460 2.931 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343133118 296122895 /nfs/dbraw/zinc/12/28/95/296122895.db2.gz NHSQJWKVLRALGF-TZIWHRDSSA-N 1 3 345.531 2.914 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000412332666 243271385 /nfs/dbraw/zinc/27/13/85/243271385.db2.gz DHTNKTKHMPIBLX-FPXQBCRKSA-N 1 3 347.503 2.675 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000246961529 243341450 /nfs/dbraw/zinc/34/14/50/243341450.db2.gz DJZVHFQPXJIKIZ-HKUYNNGSSA-N 1 3 348.531 2.916 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000246961529 243341456 /nfs/dbraw/zinc/34/14/56/243341456.db2.gz DJZVHFQPXJIKIZ-HKUYNNGSSA-N 1 3 348.531 2.916 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442871542 296125487 /nfs/dbraw/zinc/12/54/87/296125487.db2.gz LXWLYLPCGNBNIL-CQSZACIVSA-N 1 3 341.446 2.965 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC000414237106 244055895 /nfs/dbraw/zinc/05/58/95/244055895.db2.gz BAYBMXIEFGWGNM-OXJNMPFZSA-N 1 3 346.519 2.977 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000414237106 244055904 /nfs/dbraw/zinc/05/59/04/244055904.db2.gz BAYBMXIEFGWGNM-OXJNMPFZSA-N 1 3 346.519 2.977 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414201997 244044664 /nfs/dbraw/zinc/04/46/64/244044664.db2.gz TVWZLRKCRRRMTD-IBGZPJMESA-N 1 3 331.504 2.524 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414290117 244075209 /nfs/dbraw/zinc/07/52/09/244075209.db2.gz SITBOHYSOAQRJD-CQSZACIVSA-N 1 3 344.546 2.753 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc(S(C)(=O)=O)s2)C1 ZINC000414290117 244075213 /nfs/dbraw/zinc/07/52/13/244075213.db2.gz SITBOHYSOAQRJD-CQSZACIVSA-N 1 3 344.546 2.753 20 0 EFADHO COc1ccc(C[NH+]2CCC(CNCc3cc(C)n(C)n3)CC2)cc1 ZINC000414300785 244078483 /nfs/dbraw/zinc/07/84/83/244078483.db2.gz MEGWXWNUHLBPJC-UHFFFAOYSA-N 1 3 342.487 2.739 20 0 EFADHO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331778 244089081 /nfs/dbraw/zinc/08/90/81/244089081.db2.gz UIEUEFVPPOYDPT-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO CS(=O)(=O)c1ccc(CNCCCCC[NH+]2CCCCC2)s1 ZINC000414350975 244099351 /nfs/dbraw/zinc/09/93/51/244099351.db2.gz MNHASDCPSRQDRM-UHFFFAOYSA-N 1 3 344.546 2.897 20 0 EFADHO CSC1(CNCc2cccc3c2OC(F)(F)O3)CC[NH+](C)CC1 ZINC000414451386 244168376 /nfs/dbraw/zinc/16/83/76/244168376.db2.gz ILVPAZHMMSACRV-UHFFFAOYSA-N 1 3 344.427 2.925 20 0 EFADHO NC(=O)C1CC[NH+](Cc2ccc(CNCc3cccs3)cc2)CC1 ZINC000414554463 244230972 /nfs/dbraw/zinc/23/09/72/244230972.db2.gz KVWRNCLUKYTZJS-UHFFFAOYSA-N 1 3 343.496 2.735 20 0 EFADHO C[C@@H]1C[C@H](CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH2+]1 ZINC000414691253 244295487 /nfs/dbraw/zinc/29/54/87/244295487.db2.gz JQSCEXXXZNIYOO-CLCXKQKWSA-N 1 3 330.451 2.969 20 0 EFADHO C[C@H]1C[C@@H](CN(C)Cc2cc3c(cc2OC(F)F)OCO3)CC[NH2+]1 ZINC000414698176 244296943 /nfs/dbraw/zinc/29/69/43/244296943.db2.gz IQOQZSWJUDFKQV-RYUDHWBXSA-N 1 3 342.386 2.837 20 0 EFADHO C[NH2+][C@H](C)Cc1noc(C2(C)CCN(Cc3ccccc3)CC2)n1 ZINC000414650452 244275789 /nfs/dbraw/zinc/27/57/89/244275789.db2.gz UHAHGZWSYCQCJF-OAHLLOKOSA-N 1 3 328.460 2.774 20 0 EFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689224 244293166 /nfs/dbraw/zinc/29/31/66/244293166.db2.gz KLXIKNZOKVSWTQ-RLLQIKCJSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689224 244293172 /nfs/dbraw/zinc/29/31/72/244293172.db2.gz KLXIKNZOKVSWTQ-RLLQIKCJSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718526 244306232 /nfs/dbraw/zinc/30/62/32/244306232.db2.gz ZFLVCPYBDKDREK-IEBWSBKVSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718526 244306239 /nfs/dbraw/zinc/30/62/39/244306239.db2.gz ZFLVCPYBDKDREK-IEBWSBKVSA-N 1 3 329.488 2.638 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000414763864 244334438 /nfs/dbraw/zinc/33/44/38/244334438.db2.gz YEHGSDPSLHJUKK-IAGOWNOFSA-N 1 3 347.478 2.593 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000414763864 244334444 /nfs/dbraw/zinc/33/44/44/244334444.db2.gz YEHGSDPSLHJUKK-IAGOWNOFSA-N 1 3 347.478 2.593 20 0 EFADHO CC[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1c1ccccc1 ZINC000414704937 244300187 /nfs/dbraw/zinc/30/01/87/244300187.db2.gz KDHBPZUORYRWLC-NLWGTHIKSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)CC[C@H]1c1ccccc1 ZINC000414704937 244300191 /nfs/dbraw/zinc/30/01/91/244300191.db2.gz KDHBPZUORYRWLC-NLWGTHIKSA-N 1 3 343.515 2.699 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cnc2ccc(Br)cn12 ZINC000414808704 244360434 /nfs/dbraw/zinc/36/04/34/244360434.db2.gz SQDHFBHSTYUGEX-BXUZGUMPSA-N 1 3 337.265 2.704 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CC1 ZINC000414814081 244364799 /nfs/dbraw/zinc/36/47/99/244364799.db2.gz YYCFABCDAYAXGU-YGRLFVJLSA-N 1 3 329.366 2.749 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414847475 244369193 /nfs/dbraw/zinc/36/91/93/244369193.db2.gz VWKJVZJEMYSJPV-NWDGAFQWSA-N 1 3 342.281 2.611 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414848067 244369705 /nfs/dbraw/zinc/36/97/05/244369705.db2.gz WRCFERMIEJXUES-RYUDHWBXSA-N 1 3 342.281 2.611 20 0 EFADHO COc1ccc(Br)c(CNCC[C@H]2CCC[NH2+]C2)c1 ZINC000414854608 244372540 /nfs/dbraw/zinc/37/25/40/244372540.db2.gz ULBJVGSCEHNUMZ-GFCCVEGCSA-N 1 3 327.266 2.937 20 0 EFADHO Clc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000414773588 244339841 /nfs/dbraw/zinc/33/98/41/244339841.db2.gz DOCGNGXAQVFWOT-CABCVRRESA-N 1 3 345.878 2.742 20 0 EFADHO Fc1ccc(-n2nccc2CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414780674 244345288 /nfs/dbraw/zinc/34/52/88/244345288.db2.gz LUURZTBMASMMAW-HOTGVXAUSA-N 1 3 328.435 2.833 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000414794024 244356626 /nfs/dbraw/zinc/35/66/26/244356626.db2.gz VEMRQFBONISJDK-CVEARBPZSA-N 1 3 326.387 2.616 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(C)(C)N ZINC000414798710 244357909 /nfs/dbraw/zinc/35/79/09/244357909.db2.gz FNMPYZUCPZPVBR-SNVBAGLBSA-N 1 3 333.354 2.629 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417030047 244986847 /nfs/dbraw/zinc/98/68/47/244986847.db2.gz PIKPSOSMDJRONF-MSOLQXFVSA-N 1 3 332.492 2.640 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000417061074 245000121 /nfs/dbraw/zinc/00/01/21/245000121.db2.gz BQPZRCVCITXRJB-DNVCBOLYSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000417061074 245000127 /nfs/dbraw/zinc/00/01/27/245000127.db2.gz BQPZRCVCITXRJB-DNVCBOLYSA-N 1 3 344.503 2.593 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218076 245051303 /nfs/dbraw/zinc/05/13/03/245051303.db2.gz FNWHKPRFNLFOGZ-RDJZCZTQSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000417225790 245053138 /nfs/dbraw/zinc/05/31/38/245053138.db2.gz YIYUODVNJXLULK-FCEWJHQRSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417675245 245085936 /nfs/dbraw/zinc/08/59/36/245085936.db2.gz BRNDUVZFDLGGEE-JTDSTZFVSA-N 1 3 344.503 2.639 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000418118788 245113085 /nfs/dbraw/zinc/11/30/85/245113085.db2.gz UCTISKMYHZNWQR-NEWSRXKRSA-N 1 3 348.535 2.567 20 0 EFADHO CCCN(C(=O)NCC[NH2+]CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418327275 245123099 /nfs/dbraw/zinc/12/30/99/245123099.db2.gz PWKXAEQMZQFKRO-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330897 245123222 /nfs/dbraw/zinc/12/32/22/245123222.db2.gz PNWRJDJHBVLMSZ-APWZRJJASA-N 1 3 346.519 2.793 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330897 245123230 /nfs/dbraw/zinc/12/32/30/245123230.db2.gz PNWRJDJHBVLMSZ-APWZRJJASA-N 1 3 346.519 2.793 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000262712134 245137630 /nfs/dbraw/zinc/13/76/30/245137630.db2.gz RDIACBGUJONAQE-MRXNPFEDSA-N 1 3 327.856 2.736 20 0 EFADHO NC[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000418498125 245174846 /nfs/dbraw/zinc/17/48/46/245174846.db2.gz JITQWYADZZEQEZ-OALUTQOASA-N 1 3 340.471 2.671 20 0 EFADHO NC[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1 ZINC000418499725 245177932 /nfs/dbraw/zinc/17/79/32/245177932.db2.gz MUAHDORAHQEXLS-RBUKOAKNSA-N 1 3 340.471 2.656 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418430435 245154322 /nfs/dbraw/zinc/15/43/22/245154322.db2.gz URUBDZUJFDDXLG-QGZVFWFLSA-N 1 3 334.508 2.570 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418432673 245154661 /nfs/dbraw/zinc/15/46/61/245154661.db2.gz ZWHKLQHHQORATB-HKUYNNGSSA-N 1 3 346.519 2.666 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000418438437 245159122 /nfs/dbraw/zinc/15/91/22/245159122.db2.gz DTQFVEIDYWELJW-SFHVURJKSA-N 1 3 334.508 2.586 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418463040 245165635 /nfs/dbraw/zinc/16/56/35/245165635.db2.gz KQOSQYNUVLHWCV-MJGOQNOKSA-N 1 3 346.519 2.810 20 0 EFADHO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc3c(c2)CNC3)CC1 ZINC000418556016 245191926 /nfs/dbraw/zinc/19/19/26/245191926.db2.gz PZFPPFWVQNXDHZ-UHFFFAOYSA-N 1 3 344.503 2.553 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000418591976 245205559 /nfs/dbraw/zinc/20/55/59/245205559.db2.gz CTOLOBOLZTXUNF-HZPDHXFCSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418658224 245232920 /nfs/dbraw/zinc/23/29/20/245232920.db2.gz JNXOBDKECNAEQH-CEXWTWQISA-N 1 3 344.503 2.735 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000418658077 245233570 /nfs/dbraw/zinc/23/35/70/245233570.db2.gz VIRMDWAZJQYKDS-LJQANCHMSA-N 1 3 346.519 2.766 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667626 245237385 /nfs/dbraw/zinc/23/73/85/245237385.db2.gz HJTZBLMDTUSSPN-QZTJIDSGSA-N 1 3 332.492 2.591 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418673493 245238123 /nfs/dbraw/zinc/23/81/23/245238123.db2.gz OBDKLAOGMJDEQJ-ZWKOTPCHSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418708190 245253982 /nfs/dbraw/zinc/25/39/82/245253982.db2.gz CDIXORZYQITYOE-OALUTQOASA-N 1 3 346.519 2.797 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000418717163 245257956 /nfs/dbraw/zinc/25/79/56/245257956.db2.gz ZKHRKHOZKIRSHH-KRWDZBQOSA-N 1 3 334.508 2.586 20 0 EFADHO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263286908 245382633 /nfs/dbraw/zinc/38/26/33/245382633.db2.gz UXIOTIOEUDFBOV-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263286908 245382640 /nfs/dbraw/zinc/38/26/40/245382640.db2.gz UXIOTIOEUDFBOV-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263286903 245382747 /nfs/dbraw/zinc/38/27/47/245382747.db2.gz UXIOTIOEUDFBOV-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000263286903 245382752 /nfs/dbraw/zinc/38/27/52/245382752.db2.gz UXIOTIOEUDFBOV-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000110977218 220086480 /nfs/dbraw/zinc/08/64/80/220086480.db2.gz BRHTZJCAQQSVQQ-NXEWRWPSSA-N 1 3 343.515 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000110977218 220086482 /nfs/dbraw/zinc/08/64/82/220086482.db2.gz BRHTZJCAQQSVQQ-NXEWRWPSSA-N 1 3 343.515 2.884 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000111845542 284354416 /nfs/dbraw/zinc/35/44/16/284354416.db2.gz IXZZGNIVQNJTHE-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000111845542 284354417 /nfs/dbraw/zinc/35/44/17/284354417.db2.gz IXZZGNIVQNJTHE-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[N@H+](CCN1CCCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000081005858 217349299 /nfs/dbraw/zinc/34/92/99/217349299.db2.gz SHKDJRQPNZPOFG-UHFFFAOYSA-N 1 3 330.520 2.506 20 0 EFADHO C[N@@H+](CCN1CCCCC1)C1CCN(CCc2ccccn2)CC1 ZINC000081005858 217349301 /nfs/dbraw/zinc/34/93/01/217349301.db2.gz SHKDJRQPNZPOFG-UHFFFAOYSA-N 1 3 330.520 2.506 20 0 EFADHO Cc1nn(C)c(OCC(F)(F)F)c1CNC1CCC([NH+](C)C)CC1 ZINC000421370082 245948694 /nfs/dbraw/zinc/94/86/94/245948694.db2.gz IRSKRXSDCOIFGN-UHFFFAOYSA-N 1 3 348.413 2.632 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1)C1CC1 ZINC000421708052 246074141 /nfs/dbraw/zinc/07/41/41/246074141.db2.gz YZIPOTYDOLOCJB-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1)C1CC1 ZINC000421708052 246074149 /nfs/dbraw/zinc/07/41/49/246074149.db2.gz YZIPOTYDOLOCJB-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1=O ZINC000421885828 246152028 /nfs/dbraw/zinc/15/20/28/246152028.db2.gz ROPNPRCYVMZZGP-IRXDYDNUSA-N 1 3 347.503 2.536 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422143878 246271632 /nfs/dbraw/zinc/27/16/32/246271632.db2.gz QHMZTLMZOFDUOE-MOPGFXCFSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422143878 246271635 /nfs/dbraw/zinc/27/16/35/246271635.db2.gz QHMZTLMZOFDUOE-MOPGFXCFSA-N 1 3 346.519 2.587 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000422154737 246275227 /nfs/dbraw/zinc/27/52/27/246275227.db2.gz CVJUBLNBJCSEEY-WMZOPIPTSA-N 1 3 346.519 2.851 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422247509 246316892 /nfs/dbraw/zinc/31/68/92/246316892.db2.gz WWLCIZGNFDAWNE-UHFFFAOYSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422815073 246472871 /nfs/dbraw/zinc/47/28/71/246472871.db2.gz ARQZZVPJROQWFS-INIZCTEOSA-N 1 3 349.482 2.987 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1C ZINC000422879008 246499174 /nfs/dbraw/zinc/49/91/74/246499174.db2.gz JYCKQFANYNYVBU-GUDVDZBRSA-N 1 3 331.504 2.568 20 0 EFADHO Cc1ncsc1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158703 246586382 /nfs/dbraw/zinc/58/63/82/246586382.db2.gz XAKFWXOUHCNBAB-CRAIPNDOSA-N 1 3 329.469 2.840 20 0 EFADHO Cc1c([C@@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000423328976 246622234 /nfs/dbraw/zinc/62/22/34/246622234.db2.gz MNVIRMBVLMGATP-OAHLLOKOSA-N 1 3 327.476 2.924 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000423429259 246634179 /nfs/dbraw/zinc/63/41/79/246634179.db2.gz SEESMRCWEIJRBT-HNNXBMFYSA-N 1 3 337.467 2.535 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccsc1 ZINC000264891174 247014705 /nfs/dbraw/zinc/01/47/05/247014705.db2.gz SMZINVNXXPGHRN-MRXNPFEDSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000264891174 247014707 /nfs/dbraw/zinc/01/47/07/247014707.db2.gz SMZINVNXXPGHRN-MRXNPFEDSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000265082865 247186571 /nfs/dbraw/zinc/18/65/71/247186571.db2.gz NLLBQGWBKCYGKV-OAHLLOKOSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000265099761 247202526 /nfs/dbraw/zinc/20/25/26/247202526.db2.gz SWZCYUCZWJAYRU-KRWDZBQOSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1ccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@H](C(N)=O)C3)oc2c1 ZINC000426051083 247230543 /nfs/dbraw/zinc/23/05/43/247230543.db2.gz NWTXIECZQBCTCB-WBVHZDCISA-N 1 3 343.471 2.979 20 0 EFADHO COCC(C)(C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426422179 247279103 /nfs/dbraw/zinc/27/91/03/247279103.db2.gz SXPHNRQWGXAAFM-CALCHBBNSA-N 1 3 326.525 2.870 20 0 EFADHO O=C(CN1CC[C@@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426456244 247281301 /nfs/dbraw/zinc/28/13/01/247281301.db2.gz VGTQOMPCUQPQCV-PMACEKPBSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427299827 247335635 /nfs/dbraw/zinc/33/56/35/247335635.db2.gz QSVADLLBRGDRSR-QWFCFKBJSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430917610 247848191 /nfs/dbraw/zinc/84/81/91/247848191.db2.gz KOSGKHWKBAMPES-QWHCGFSZSA-N 1 3 339.430 2.543 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)c2ccccc2CN(C)C)CC1 ZINC000433234419 248033194 /nfs/dbraw/zinc/03/31/94/248033194.db2.gz SHTLSWHZVWSZOT-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO [NH3+]C[C@H]1CC[C@@H](c2nc(-c3cccc(CN4CCCCC4)c3)no2)O1 ZINC000433891970 248100383 /nfs/dbraw/zinc/10/03/83/248100383.db2.gz VKYPTZCTOFFEOX-SJORKVTESA-N 1 3 342.443 2.901 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000434693720 248179503 /nfs/dbraw/zinc/17/95/03/248179503.db2.gz HGHQQXGLAVVTPN-YLJYHZDGSA-N 1 3 329.488 2.629 20 0 EFADHO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000266190271 248159366 /nfs/dbraw/zinc/15/93/66/248159366.db2.gz UYEGPMCDVYGUFO-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000266190269 248159608 /nfs/dbraw/zinc/15/96/08/248159608.db2.gz UYEGPMCDVYGUFO-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000434675302 248177485 /nfs/dbraw/zinc/17/74/85/248177485.db2.gz KYQHRPXABIPHLE-QAPCUYQASA-N 1 3 331.504 2.703 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000433942927 248105524 /nfs/dbraw/zinc/10/55/24/248105524.db2.gz RWSSTAQRQCPRDB-SFHVURJKSA-N 1 3 338.540 2.764 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000435240829 248221242 /nfs/dbraw/zinc/22/12/42/248221242.db2.gz QOBULSGYYVVSBZ-LJQANCHMSA-N 1 3 327.472 2.637 20 0 EFADHO CCCc1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000435370965 248230617 /nfs/dbraw/zinc/23/06/17/248230617.db2.gz KPHJDNYCHVVRTQ-UXHICEINSA-N 1 3 343.515 2.719 20 0 EFADHO CCC[N@H+](Cc1cc(C)c(OCC(=O)OC)c(C)c1)C1CCNCC1 ZINC000435378222 248231888 /nfs/dbraw/zinc/23/18/88/248231888.db2.gz HJKUPOROEOTNHA-UHFFFAOYSA-N 1 3 348.487 2.819 20 0 EFADHO CCC[N@@H+](Cc1cc(C)c(OCC(=O)OC)c(C)c1)C1CCNCC1 ZINC000435378222 248231890 /nfs/dbraw/zinc/23/18/90/248231890.db2.gz HJKUPOROEOTNHA-UHFFFAOYSA-N 1 3 348.487 2.819 20 0 EFADHO CCCN(Cc1cc(C)c(OCC(=O)OC)c(C)c1)C1CC[NH2+]CC1 ZINC000435378222 248231893 /nfs/dbraw/zinc/23/18/93/248231893.db2.gz HJKUPOROEOTNHA-UHFFFAOYSA-N 1 3 348.487 2.819 20 0 EFADHO CN(c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(C)CC1 ZINC000435379346 248233317 /nfs/dbraw/zinc/23/33/17/248233317.db2.gz MCICUQLFEBJSNA-MOPGFXCFSA-N 1 3 342.531 2.543 20 0 EFADHO Cc1ccc2[nH]c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2c1C ZINC000441331319 250019236 /nfs/dbraw/zinc/01/92/36/250019236.db2.gz IWKBKUUFLXHREY-UHFFFAOYSA-N 1 3 328.504 2.900 20 0 EFADHO CCCOc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000441335351 250019736 /nfs/dbraw/zinc/01/97/36/250019736.db2.gz QCZJYEIDURPESN-UHFFFAOYSA-N 1 3 349.519 2.600 20 0 EFADHO COCOc1ccc(OC)cc1CN1CCC(CC[NH+](C)C)CC1 ZINC000092381268 218137789 /nfs/dbraw/zinc/13/77/89/218137789.db2.gz ZJOIJSUTSZNREP-UHFFFAOYSA-N 1 3 336.476 2.842 20 0 EFADHO Cc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc2cccnc12 ZINC000441360619 250025224 /nfs/dbraw/zinc/02/52/24/250025224.db2.gz XZJPFTIAAWDHRG-UHFFFAOYSA-N 1 3 326.488 2.659 20 0 EFADHO Cn1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C2CCCCC2)n1 ZINC000441372693 250026637 /nfs/dbraw/zinc/02/66/37/250026637.db2.gz PXPHQCWGRVFYML-UHFFFAOYSA-N 1 3 347.551 2.583 20 0 EFADHO CC[C@@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820985 218171508 /nfs/dbraw/zinc/17/15/08/218171508.db2.gz BSOGNSOMZPKDKV-SJORKVTESA-N 1 3 346.519 2.923 20 0 EFADHO CC(C)OC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821497 218171787 /nfs/dbraw/zinc/17/17/87/218171787.db2.gz UIJMQETZKNNILW-UHFFFAOYSA-N 1 3 333.476 2.962 20 0 EFADHO CC(C)OC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821497 218171790 /nfs/dbraw/zinc/17/17/90/218171790.db2.gz UIJMQETZKNNILW-UHFFFAOYSA-N 1 3 333.476 2.962 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443058751 250154665 /nfs/dbraw/zinc/15/46/65/250154665.db2.gz LIBGZRGQFPERTJ-GOSISDBHSA-N 1 3 331.504 2.875 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443060344 250155122 /nfs/dbraw/zinc/15/51/22/250155122.db2.gz OVFPEOGIXGOBNC-QGZVFWFLSA-N 1 3 329.488 2.547 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000443631602 250214081 /nfs/dbraw/zinc/21/40/81/250214081.db2.gz LVDSTLJQOYDEPY-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000443631602 250214084 /nfs/dbraw/zinc/21/40/84/250214084.db2.gz LVDSTLJQOYDEPY-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000443631597 250214941 /nfs/dbraw/zinc/21/49/41/250214941.db2.gz LVDSTLJQOYDEPY-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000443631597 250214943 /nfs/dbraw/zinc/21/49/43/250214943.db2.gz LVDSTLJQOYDEPY-KSZLIROESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000443646813 250216021 /nfs/dbraw/zinc/21/60/21/250216021.db2.gz DMUPUGDLOUQTLN-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444156454 250265411 /nfs/dbraw/zinc/26/54/11/250265411.db2.gz BJRUQZZTNXZPEX-WBKMXMRLSA-N 1 3 341.499 2.670 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000444615531 250317299 /nfs/dbraw/zinc/31/72/99/250317299.db2.gz AAVWRQSJDDFACE-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000444615531 250317303 /nfs/dbraw/zinc/31/73/03/250317303.db2.gz AAVWRQSJDDFACE-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444890217 250362902 /nfs/dbraw/zinc/36/29/02/250362902.db2.gz VNZUTAWKCBLYHW-SFHVURJKSA-N 1 3 346.519 2.711 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444890217 250362904 /nfs/dbraw/zinc/36/29/04/250362904.db2.gz VNZUTAWKCBLYHW-SFHVURJKSA-N 1 3 346.519 2.711 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C(C)(C)C)c1cccc(OC)c1 ZINC000164098333 284770195 /nfs/dbraw/zinc/77/01/95/284770195.db2.gz VOIFDDUKENSOLO-DLBZAZTESA-N 1 3 335.492 2.568 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424295181 296294203 /nfs/dbraw/zinc/29/42/03/296294203.db2.gz QVFUHFFODWYESU-KZNAEPCWSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000449160715 250936424 /nfs/dbraw/zinc/93/64/24/250936424.db2.gz MTLYQUPJUSTASX-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267406261 251028848 /nfs/dbraw/zinc/02/88/48/251028848.db2.gz ZLNXRLDNUHGFRS-SCTDSRPQSA-N 1 3 346.519 2.536 20 0 EFADHO CC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3C)C2)CC1 ZINC000449508951 251047247 /nfs/dbraw/zinc/04/72/47/251047247.db2.gz VPJHJPGZGHQJRS-HXUWFJFHSA-N 1 3 343.515 2.761 20 0 EFADHO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3C)C2)CC1 ZINC000449508951 251047250 /nfs/dbraw/zinc/04/72/50/251047250.db2.gz VPJHJPGZGHQJRS-HXUWFJFHSA-N 1 3 343.515 2.761 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000449499874 251044719 /nfs/dbraw/zinc/04/47/19/251044719.db2.gz MLPNZXRJIGLVEP-FXAWDEMLSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000449499874 251044724 /nfs/dbraw/zinc/04/47/24/251044724.db2.gz MLPNZXRJIGLVEP-FXAWDEMLSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000449499876 251044853 /nfs/dbraw/zinc/04/48/53/251044853.db2.gz MLPNZXRJIGLVEP-XLIONFOSSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000449499876 251044860 /nfs/dbraw/zinc/04/48/60/251044860.db2.gz MLPNZXRJIGLVEP-XLIONFOSSA-N 1 3 331.504 2.685 20 0 EFADHO NC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000449498191 251045813 /nfs/dbraw/zinc/04/58/13/251045813.db2.gz SALYGWMSRFUMCM-UHOSZYNNSA-N 1 3 325.456 2.863 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(-c2ccccc2)no1 ZINC000267488800 251104096 /nfs/dbraw/zinc/10/40/96/251104096.db2.gz WBERQXBOUQXFRS-UHFFFAOYSA-N 1 3 342.487 2.799 20 0 EFADHO C[N@H+](CCCCCCO)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000267505866 251115079 /nfs/dbraw/zinc/11/50/79/251115079.db2.gz HKBJHCDRLOECGI-OAQYLSRUSA-N 1 3 348.531 2.917 20 0 EFADHO C[N@@H+](CCCCCCO)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000267505866 251115081 /nfs/dbraw/zinc/11/50/81/251115081.db2.gz HKBJHCDRLOECGI-OAQYLSRUSA-N 1 3 348.531 2.917 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449683439 251115825 /nfs/dbraw/zinc/11/58/25/251115825.db2.gz NOTXVCSYMLSEJI-GOSISDBHSA-N 1 3 331.504 2.735 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449689153 251118040 /nfs/dbraw/zinc/11/80/40/251118040.db2.gz YKLZRFUZKSHILR-OAQYLSRUSA-N 1 3 343.515 2.831 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449689153 251118042 /nfs/dbraw/zinc/11/80/42/251118042.db2.gz YKLZRFUZKSHILR-OAQYLSRUSA-N 1 3 343.515 2.831 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707548 251125493 /nfs/dbraw/zinc/12/54/93/251125493.db2.gz RKWWWMKHNDYGJT-WMZOPIPTSA-N 1 3 347.478 2.542 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707545 251126280 /nfs/dbraw/zinc/12/62/80/251126280.db2.gz RKWWWMKHNDYGJT-AEFFLSMTSA-N 1 3 347.478 2.542 20 0 EFADHO CC(C)Oc1ccc2nccc(NCC3([NH+](C)C)CCOCC3)c2c1 ZINC000450332076 251349315 /nfs/dbraw/zinc/34/93/15/251349315.db2.gz MUYHROLTWZSQMC-UHFFFAOYSA-N 1 3 343.471 2.967 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453468398 252043613 /nfs/dbraw/zinc/04/36/13/252043613.db2.gz ZECYVYYXASSFML-OJAHFUOMSA-N 1 3 341.499 2.640 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000268825447 252275484 /nfs/dbraw/zinc/27/54/84/252275484.db2.gz IUPQRCLWVOFIJA-HZPDHXFCSA-N 1 3 341.293 2.947 20 0 EFADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000268825446 252276101 /nfs/dbraw/zinc/27/61/01/252276101.db2.gz IUPQRCLWVOFIJA-HOTGVXAUSA-N 1 3 341.293 2.947 20 0 EFADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000268828927 252278887 /nfs/dbraw/zinc/27/88/87/252278887.db2.gz LTYFLJGEBZYYNK-QXAKKESOSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000268828927 252278891 /nfs/dbraw/zinc/27/88/91/252278891.db2.gz LTYFLJGEBZYYNK-QXAKKESOSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000268840409 252288878 /nfs/dbraw/zinc/28/88/78/252288878.db2.gz NKHOFKDBBMXQOS-GOEBONIOSA-N 1 3 328.403 2.785 20 0 EFADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC[C@@H](C)C1 ZINC000454517551 252292198 /nfs/dbraw/zinc/29/21/98/252292198.db2.gz UXCAJPPNADETFI-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO Cc1ncc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)c(C)n1 ZINC000268875074 252322069 /nfs/dbraw/zinc/32/20/69/252322069.db2.gz LGSAXMUUCZMTNQ-HNNXBMFYSA-N 1 3 342.487 2.927 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268877142 252326133 /nfs/dbraw/zinc/32/61/33/252326133.db2.gz LWFHBKBAEWCOSC-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268877142 252326136 /nfs/dbraw/zinc/32/61/36/252326136.db2.gz LWFHBKBAEWCOSC-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458850248 255784804 /nfs/dbraw/zinc/78/48/04/255784804.db2.gz LUUAVOWESHESKG-UHFFFAOYSA-N 1 3 336.524 2.522 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)c2)CCO1 ZINC000153477572 224110663 /nfs/dbraw/zinc/11/06/63/224110663.db2.gz JQYHUSKRVVVENN-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477572 224110665 /nfs/dbraw/zinc/11/06/65/224110665.db2.gz JQYHUSKRVVVENN-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477572 224110668 /nfs/dbraw/zinc/11/06/68/224110668.db2.gz JQYHUSKRVVVENN-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000153586663 224126971 /nfs/dbraw/zinc/12/69/71/224126971.db2.gz OYWWCPDUKKKABD-YUELXQCFSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000153586663 224126973 /nfs/dbraw/zinc/12/69/73/224126973.db2.gz OYWWCPDUKKKABD-YUELXQCFSA-N 1 3 346.393 2.517 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352636191 285244963 /nfs/dbraw/zinc/24/49/63/285244963.db2.gz DYTCECVTSKRVAW-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352636191 285244966 /nfs/dbraw/zinc/24/49/66/285244966.db2.gz DYTCECVTSKRVAW-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000126601969 285245837 /nfs/dbraw/zinc/24/58/37/285245837.db2.gz GBJHVWBZFQRGMR-QGZVFWFLSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000126601969 285245843 /nfs/dbraw/zinc/24/58/43/285245843.db2.gz GBJHVWBZFQRGMR-QGZVFWFLSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccsc1 ZINC000337586418 285276373 /nfs/dbraw/zinc/27/63/73/285276373.db2.gz SHDOTMGEVDOVQL-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccsc1 ZINC000337586418 285276375 /nfs/dbraw/zinc/27/63/75/285276375.db2.gz SHDOTMGEVDOVQL-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2c1CCC2 ZINC000337567112 285280989 /nfs/dbraw/zinc/28/09/89/285280989.db2.gz AJHWSZWUXSWPPT-SFHVURJKSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2c1CCC2 ZINC000337567112 285280994 /nfs/dbraw/zinc/28/09/94/285280994.db2.gz AJHWSZWUXSWPPT-SFHVURJKSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(C)c1 ZINC000346616832 285281324 /nfs/dbraw/zinc/28/13/24/285281324.db2.gz FOSPGQKGTLWBDA-IBGZPJMESA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)cc(C)c1 ZINC000346616832 285281325 /nfs/dbraw/zinc/28/13/25/285281325.db2.gz FOSPGQKGTLWBDA-IBGZPJMESA-N 1 3 331.504 2.792 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613225 285289862 /nfs/dbraw/zinc/28/98/62/285289862.db2.gz JJQJJQWKMRUTAY-QZTJIDSGSA-N 1 3 334.508 2.858 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613225 285289864 /nfs/dbraw/zinc/28/98/64/285289864.db2.gz JJQJJQWKMRUTAY-QZTJIDSGSA-N 1 3 334.508 2.858 20 0 EFADHO CN(C)[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000457430904 255693626 /nfs/dbraw/zinc/69/36/26/255693626.db2.gz ZXPCMTMAEMOJLX-QGZVFWFLSA-N 1 3 334.508 2.709 20 0 EFADHO COC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459434952 255877094 /nfs/dbraw/zinc/87/70/94/255877094.db2.gz VRSREGOPLBZEGM-LJQANCHMSA-N 1 3 325.456 2.898 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000466309517 256001906 /nfs/dbraw/zinc/00/19/06/256001906.db2.gz WTKRTJLBXOZRCF-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000466309517 256001908 /nfs/dbraw/zinc/00/19/08/256001908.db2.gz WTKRTJLBXOZRCF-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO CN(CCCc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841529 221195082 /nfs/dbraw/zinc/19/50/82/221195082.db2.gz IPMMYSLEUSMCNA-INIZCTEOSA-N 1 3 328.460 2.943 20 0 EFADHO CN(CCCc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841529 221195085 /nfs/dbraw/zinc/19/50/85/221195085.db2.gz IPMMYSLEUSMCNA-INIZCTEOSA-N 1 3 328.460 2.943 20 0 EFADHO N[C@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000119461754 221325171 /nfs/dbraw/zinc/32/51/71/221325171.db2.gz QZYLIVRLVREDJV-HXUWFJFHSA-N 1 3 337.467 2.989 20 0 EFADHO CCc1ccccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000119680493 221375550 /nfs/dbraw/zinc/37/55/50/221375550.db2.gz GENOAHZJSBOTEA-UHFFFAOYSA-N 1 3 329.488 2.537 20 0 EFADHO C[C@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098169 224358345 /nfs/dbraw/zinc/35/83/45/224358345.db2.gz SGIBKSMAPPBPHB-XCJLJZCSSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098169 224358347 /nfs/dbraw/zinc/35/83/47/224358347.db2.gz SGIBKSMAPPBPHB-XCJLJZCSSA-N 1 3 344.547 2.515 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H]2OC)CC1 ZINC000341286371 285339106 /nfs/dbraw/zinc/33/91/06/285339106.db2.gz KNLDRXMEGLJEJL-UYAOXDASSA-N 1 3 331.504 2.733 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000361692291 285388031 /nfs/dbraw/zinc/38/80/31/285388031.db2.gz JVBMQZVMWSXLIS-WDSOQIARSA-N 1 3 346.519 2.804 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000361692291 285388033 /nfs/dbraw/zinc/38/80/33/285388033.db2.gz JVBMQZVMWSXLIS-WDSOQIARSA-N 1 3 346.519 2.804 20 0 EFADHO C[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178181351 533443619 /nfs/dbraw/zinc/44/36/19/533443619.db2.gz OYFDKAAPMOHXCD-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000129478288 533453548 /nfs/dbraw/zinc/45/35/48/533453548.db2.gz JTSGLOUNWNUYIK-MRXNPFEDSA-N 1 3 325.456 2.829 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000153051242 533650480 /nfs/dbraw/zinc/65/04/80/533650480.db2.gz FOVVZCOYKNDUSL-SNPRPXQTSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000153051242 533650482 /nfs/dbraw/zinc/65/04/82/533650482.db2.gz FOVVZCOYKNDUSL-SNPRPXQTSA-N 1 3 346.393 2.517 20 0 EFADHO COc1ccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126354834 141366650 /nfs/dbraw/zinc/36/66/50/141366650.db2.gz PCPAYLNUMHMVIY-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]3CCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000340117150 141744407 /nfs/dbraw/zinc/74/44/07/141744407.db2.gz IGWKLJCRXPXRFK-WMZOPIPTSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340276157 141772358 /nfs/dbraw/zinc/77/23/58/141772358.db2.gz HUEIEJVRWZRNFJ-HOTGVXAUSA-N 1 3 337.533 2.897 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000344739852 142070895 /nfs/dbraw/zinc/07/08/95/142070895.db2.gz KKARUSVRHHZAFL-MRXNPFEDSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000344739852 142070897 /nfs/dbraw/zinc/07/08/97/142070897.db2.gz KKARUSVRHHZAFL-MRXNPFEDSA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)N(CC)CC ZINC000345975423 142126841 /nfs/dbraw/zinc/12/68/41/142126841.db2.gz GTFSUEWQAZVBIB-QGZVFWFLSA-N 1 3 348.491 2.636 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000346387012 142197711 /nfs/dbraw/zinc/19/77/11/142197711.db2.gz ZDXFDIGYVKYWNU-ZIAGYGMSSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000346387012 142197713 /nfs/dbraw/zinc/19/77/13/142197713.db2.gz ZDXFDIGYVKYWNU-ZIAGYGMSSA-N 1 3 329.444 2.707 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2(N3CCC(OC)CC3)CCCC2)[C@@H](C)C1 ZINC000347436019 142216386 /nfs/dbraw/zinc/21/63/86/142216386.db2.gz VTYXFSMZJHQZII-PKOBYXMFSA-N 1 3 337.552 2.730 20 0 EFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CNC2 ZINC000347496091 142226379 /nfs/dbraw/zinc/22/63/79/142226379.db2.gz CLIUZXMABSOWSK-UHFFFAOYSA-N 1 3 329.469 2.555 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)c2ccc3c(c2)CNC3)CC1 ZINC000347502980 142227437 /nfs/dbraw/zinc/22/74/37/142227437.db2.gz ONICIVIROWJUBD-UHFFFAOYSA-N 1 3 349.478 2.993 20 0 EFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CNC2 ZINC000347514485 142229099 /nfs/dbraw/zinc/22/90/99/142229099.db2.gz JYYOQBCTENTKEH-UHFFFAOYSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347512719 142229312 /nfs/dbraw/zinc/22/93/12/142229312.db2.gz YRRMPKINUILSLW-KRWDZBQOSA-N 1 3 341.480 2.918 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347887508 142287640 /nfs/dbraw/zinc/28/76/40/142287640.db2.gz GCZKBQDAWPMCHT-NSHGMRRFSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347887508 142287643 /nfs/dbraw/zinc/28/76/43/142287643.db2.gz GCZKBQDAWPMCHT-NSHGMRRFSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000347887507 142287653 /nfs/dbraw/zinc/28/76/53/142287653.db2.gz GCZKBQDAWPMCHT-GGPKGHCWSA-N 1 3 343.515 2.982 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000349752273 142355111 /nfs/dbraw/zinc/35/51/11/142355111.db2.gz ABUBQHJCJJLHRJ-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000349752273 142355112 /nfs/dbraw/zinc/35/51/12/142355112.db2.gz ABUBQHJCJJLHRJ-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CC(C)OCC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000349859224 142369114 /nfs/dbraw/zinc/36/91/14/142369114.db2.gz ZGRHOKKXZLKBDR-HXUWFJFHSA-N 1 3 349.519 2.796 20 0 EFADHO CC(C)OCC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000349859224 142369115 /nfs/dbraw/zinc/36/91/15/142369115.db2.gz ZGRHOKKXZLKBDR-HXUWFJFHSA-N 1 3 349.519 2.796 20 0 EFADHO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000349868168 142370278 /nfs/dbraw/zinc/37/02/78/142370278.db2.gz LYRQUMCJAILEPF-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000349953221 142382745 /nfs/dbraw/zinc/38/27/45/142382745.db2.gz UIFGSFNFFOLRSW-JKSUJKDBSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000349953221 142382746 /nfs/dbraw/zinc/38/27/46/142382746.db2.gz UIFGSFNFFOLRSW-JKSUJKDBSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@H]1C ZINC000341143743 145000593 /nfs/dbraw/zinc/00/05/93/145000593.db2.gz VTXDBVJBHIPFBC-NVXWUHKLSA-N 1 3 334.460 2.543 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@H]1C ZINC000341143743 145000594 /nfs/dbraw/zinc/00/05/94/145000594.db2.gz VTXDBVJBHIPFBC-NVXWUHKLSA-N 1 3 334.460 2.543 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000341205034 145012647 /nfs/dbraw/zinc/01/26/47/145012647.db2.gz QGVKTQHGQOIXJG-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2OC)CC1 ZINC000341286370 145026560 /nfs/dbraw/zinc/02/65/60/145026560.db2.gz KNLDRXMEGLJEJL-QUCCMNQESA-N 1 3 331.504 2.733 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000342060237 145057738 /nfs/dbraw/zinc/05/77/38/145057738.db2.gz SDDFUMTUSXRZPW-OALUTQOASA-N 1 3 343.515 2.902 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCC(=O)Nc3ccc(Cl)cc3F)C[C@H]21 ZINC000342100365 145061941 /nfs/dbraw/zinc/06/19/41/145061941.db2.gz JXPBCFPZDGWCAP-NJZAAPMLSA-N 1 3 339.842 2.867 20 0 EFADHO CN(C[C@H]1CN(Cc2ccccc2)CCCO1)CC1([NH+](C)C)CCC1 ZINC000342120304 145065733 /nfs/dbraw/zinc/06/57/33/145065733.db2.gz FGIUDMMMJXGXRC-FQEVSTJZSA-N 1 3 345.531 2.694 20 0 EFADHO Cn1ccnc1COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342129784 145067451 /nfs/dbraw/zinc/06/74/51/145067451.db2.gz HJMGHFBLSLBVPC-UHOSZYNNSA-N 1 3 340.471 2.558 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000342518800 145142149 /nfs/dbraw/zinc/14/21/49/145142149.db2.gz WSFUBTQJTVUSRZ-UHFFFAOYSA-N 1 3 348.535 2.520 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000342669780 145169934 /nfs/dbraw/zinc/16/99/34/145169934.db2.gz AQZNVXJPMSZHKP-NRFANRHFSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000342697603 145174118 /nfs/dbraw/zinc/17/41/18/145174118.db2.gz SJHNEOSAMXLUTA-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342722000 145179208 /nfs/dbraw/zinc/17/92/08/145179208.db2.gz AOPIDGPKOLGMJR-QFBILLFUSA-N 1 3 341.499 2.537 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C[C@@H](C)O1 ZINC000342725719 145180115 /nfs/dbraw/zinc/18/01/15/145180115.db2.gz IHUHYTRYFYSQPS-HZPDHXFCSA-N 1 3 334.508 2.753 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342765259 145188185 /nfs/dbraw/zinc/18/81/85/145188185.db2.gz NBZSAJWJLFDAEY-NEPXVJNWSA-N 1 3 329.488 2.544 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000342819699 145201343 /nfs/dbraw/zinc/20/13/43/145201343.db2.gz DGJQZZNZUNXCIW-LEWJYISDSA-N 1 3 343.515 2.972 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000342819699 145201344 /nfs/dbraw/zinc/20/13/44/145201344.db2.gz DGJQZZNZUNXCIW-LEWJYISDSA-N 1 3 343.515 2.972 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCN1C ZINC000343586879 145245151 /nfs/dbraw/zinc/24/51/51/145245151.db2.gz CENDLTAJGFXVLM-LPHOPBHVSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1cccn2c(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)cnc12 ZINC000343779883 145292382 /nfs/dbraw/zinc/29/23/82/145292382.db2.gz LGZBOIZIYBVNDX-IRXDYDNUSA-N 1 3 330.476 2.622 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC2(CN(C)C)CCC2)cc1 ZINC000343832265 145304436 /nfs/dbraw/zinc/30/44/36/145304436.db2.gz FMEYVIRDHBZOTB-UHFFFAOYSA-N 1 3 347.503 2.621 20 0 EFADHO CC(C)=CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000343883979 145316237 /nfs/dbraw/zinc/31/62/37/145316237.db2.gz VKEXOCFZSBBJIQ-UHFFFAOYSA-N 1 3 343.515 2.913 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(F)c(F)c1 ZINC000344134924 145377053 /nfs/dbraw/zinc/37/70/53/145377053.db2.gz RJFMCLQFJHQTDJ-UHFFFAOYSA-N 1 3 325.447 2.814 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(F)c(F)c1 ZINC000344134924 145377055 /nfs/dbraw/zinc/37/70/55/145377055.db2.gz RJFMCLQFJHQTDJ-UHFFFAOYSA-N 1 3 325.447 2.814 20 0 EFADHO CCC[N@@H+](CCc1ccc(OC)cc1)CCN1CCN(CC)CC1 ZINC000344157749 145381797 /nfs/dbraw/zinc/38/17/97/145381797.db2.gz WMQNDFSTNBXPTH-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CCC[N@H+](CCc1ccc(OC)cc1)CCN1CCN(CC)CC1 ZINC000344157749 145381798 /nfs/dbraw/zinc/38/17/98/145381798.db2.gz WMQNDFSTNBXPTH-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)ccn1 ZINC000348269432 145914276 /nfs/dbraw/zinc/91/42/76/145914276.db2.gz VHOMDOQNZAJXFR-MOPGFXCFSA-N 1 3 325.456 2.915 20 0 EFADHO CN(C/C=C/c1ccc(F)cc1F)CCN(C)C1CC[NH+](C)CC1 ZINC000349062097 146045411 /nfs/dbraw/zinc/04/54/11/146045411.db2.gz LPDFZWOYVZSSPE-SNAWJCMRSA-N 1 3 337.458 2.936 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C(C)C)nc1C ZINC000349061340 146045703 /nfs/dbraw/zinc/04/57/03/146045703.db2.gz IYHVMEXTILLVSP-LJQANCHMSA-N 1 3 335.540 2.620 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C(C)C)nc1C ZINC000349061340 146045705 /nfs/dbraw/zinc/04/57/05/146045705.db2.gz IYHVMEXTILLVSP-LJQANCHMSA-N 1 3 335.540 2.620 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(COC)cc1 ZINC000349065099 146046173 /nfs/dbraw/zinc/04/61/73/146046173.db2.gz XJWJHCUNVNIDDO-HXUWFJFHSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(COC)cc1 ZINC000349065099 146046176 /nfs/dbraw/zinc/04/61/76/146046176.db2.gz XJWJHCUNVNIDDO-HXUWFJFHSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(F)c1 ZINC000349063734 146046354 /nfs/dbraw/zinc/04/63/54/146046354.db2.gz RGMJDISWXXIUDZ-QGZVFWFLSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(F)c1 ZINC000349063734 146046355 /nfs/dbraw/zinc/04/63/55/146046355.db2.gz RGMJDISWXXIUDZ-QGZVFWFLSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCCc1cnccc1C)CCN(C)C ZINC000349076887 146047935 /nfs/dbraw/zinc/04/79/35/146047935.db2.gz PYOVECZIBURPHX-HXUWFJFHSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCCc1cnccc1C)CCN(C)C ZINC000349076887 146047938 /nfs/dbraw/zinc/04/79/38/146047938.db2.gz PYOVECZIBURPHX-HXUWFJFHSA-N 1 3 332.536 2.671 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](CC)CC ZINC000349086621 146050336 /nfs/dbraw/zinc/05/03/36/146050336.db2.gz DUWDMPLSNLDOJG-WOJBJXKFSA-N 1 3 345.531 2.930 20 0 EFADHO CCc1cccc(F)c1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349310692 146078216 /nfs/dbraw/zinc/07/82/16/146078216.db2.gz BNPQBUBRVYUCDD-MRXNPFEDSA-N 1 3 333.495 2.988 20 0 EFADHO CCc1cccc(F)c1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000349310692 146078218 /nfs/dbraw/zinc/07/82/18/146078218.db2.gz BNPQBUBRVYUCDD-MRXNPFEDSA-N 1 3 333.495 2.988 20 0 EFADHO C[C@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)C1CC[NH2+]CC1 ZINC000350732700 146085748 /nfs/dbraw/zinc/08/57/48/146085748.db2.gz RNTMMPOJIIVFBB-CQSZACIVSA-N 1 3 328.460 2.976 20 0 EFADHO C[C@@H]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000350871686 146098086 /nfs/dbraw/zinc/09/80/86/146098086.db2.gz RLNXMGOZLVUVKM-YZGWKJHDSA-N 1 3 345.531 2.691 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(CC2CCC2)CC1 ZINC000351027466 146107267 /nfs/dbraw/zinc/10/72/67/146107267.db2.gz MHGDQATZHOWZHC-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCN(CC2CCC2)CC1 ZINC000351027466 146107269 /nfs/dbraw/zinc/10/72/69/146107269.db2.gz MHGDQATZHOWZHC-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccco1 ZINC000351059580 146108401 /nfs/dbraw/zinc/10/84/01/146108401.db2.gz BVUSGQWJBGORNN-NXOAAHMSSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccco1 ZINC000351059580 146108402 /nfs/dbraw/zinc/10/84/02/146108402.db2.gz BVUSGQWJBGORNN-NXOAAHMSSA-N 1 3 348.491 2.635 20 0 EFADHO CC(C)[C@H]1CN(CCCCC[N@@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351094868 146109601 /nfs/dbraw/zinc/10/96/01/146109601.db2.gz DHSCKBASROJVFC-RTBURBONSA-N 1 3 326.525 2.870 20 0 EFADHO CC(C)[C@H]1CN(CCCCC[N@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000351094868 146109603 /nfs/dbraw/zinc/10/96/03/146109603.db2.gz DHSCKBASROJVFC-RTBURBONSA-N 1 3 326.525 2.870 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351490137 146129705 /nfs/dbraw/zinc/12/97/05/146129705.db2.gz IFMIDPCTGJYQJC-NILFDRSVSA-N 1 3 341.377 2.703 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000351579035 146150295 /nfs/dbraw/zinc/15/02/95/146150295.db2.gz FCOGFEREXZZUDC-VVLHAWIVSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000351579035 146150297 /nfs/dbraw/zinc/15/02/97/146150297.db2.gz FCOGFEREXZZUDC-VVLHAWIVSA-N 1 3 348.491 2.635 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000351812034 146208817 /nfs/dbraw/zinc/20/88/17/146208817.db2.gz STGOWOWFCJZAOP-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000351812034 146208818 /nfs/dbraw/zinc/20/88/18/146208818.db2.gz STGOWOWFCJZAOP-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352076868 146283843 /nfs/dbraw/zinc/28/38/43/146283843.db2.gz LXHIUAVNPFYINA-LPHOPBHVSA-N 1 3 349.482 2.969 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1CC[NH+](C)CC1)N(C)C ZINC000352827602 146326522 /nfs/dbraw/zinc/32/65/22/146326522.db2.gz MDPKOUNXEYIEQA-APWZRJJASA-N 1 3 346.519 2.627 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000353049464 146385887 /nfs/dbraw/zinc/38/58/87/146385887.db2.gz RPXXNKFYSIKTQH-WOJBJXKFSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C(C)C ZINC000355782998 147061784 /nfs/dbraw/zinc/06/17/84/147061784.db2.gz YFMBZMSIHQRWED-MSOLQXFVSA-N 1 3 340.556 2.867 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000356057304 147134779 /nfs/dbraw/zinc/13/47/79/147134779.db2.gz IVWBBFVJOBVDIZ-WBVHZDCISA-N 1 3 336.524 2.565 20 0 EFADHO CN(C)[C@H]1CCOc2c(NC(=O)C34CCC[NH+]3CCC4)cccc21 ZINC000356059373 147135322 /nfs/dbraw/zinc/13/53/22/147135322.db2.gz WQNGEXQHKNAOBE-INIZCTEOSA-N 1 3 329.444 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000356182732 147169890 /nfs/dbraw/zinc/16/98/90/147169890.db2.gz YOUJAXGSLHKODB-LZLYRXPVSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)C1 ZINC000356182732 147169891 /nfs/dbraw/zinc/16/98/91/147169891.db2.gz YOUJAXGSLHKODB-LZLYRXPVSA-N 1 3 344.503 2.604 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000356289576 147202720 /nfs/dbraw/zinc/20/27/20/147202720.db2.gz MGZXGFXJFHRUDV-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CCN(C)[C@H]1c1cccnc1 ZINC000356614081 147290525 /nfs/dbraw/zinc/29/05/25/147290525.db2.gz SVGDJCLVUMLIKU-QYZOEREBSA-N 1 3 346.519 2.700 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000356823210 147345161 /nfs/dbraw/zinc/34/51/61/147345161.db2.gz TZPSDHQZTUYRRT-KRWDZBQOSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000356823210 147345164 /nfs/dbraw/zinc/34/51/64/147345164.db2.gz TZPSDHQZTUYRRT-KRWDZBQOSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1 ZINC000356843562 147352362 /nfs/dbraw/zinc/35/23/62/147352362.db2.gz LQUJMLMGBCBCDL-SLFFLAALSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000356843562 147352365 /nfs/dbraw/zinc/35/23/65/147352365.db2.gz LQUJMLMGBCBCDL-SLFFLAALSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000356843562 147352366 /nfs/dbraw/zinc/35/23/66/147352366.db2.gz LQUJMLMGBCBCDL-SLFFLAALSA-N 1 3 336.483 2.828 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCOC1 ZINC000356878265 147360809 /nfs/dbraw/zinc/36/08/09/147360809.db2.gz SRIRNOPTNGHHQF-QFBILLFUSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCCOC1 ZINC000356884213 147362790 /nfs/dbraw/zinc/36/27/90/147362790.db2.gz WHHOKHSLVZLECZ-QFBILLFUSA-N 1 3 332.488 2.548 20 0 EFADHO Cc1nn(-c2ccncc2)cc1C[NH2+][C@@H](C)CN1CCCCCC1 ZINC000359148123 148008449 /nfs/dbraw/zinc/00/84/49/148008449.db2.gz TZVNJZMSNUTBHH-INIZCTEOSA-N 1 3 327.476 2.930 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cc2ccccc2C)CC1 ZINC000359195050 148020561 /nfs/dbraw/zinc/02/05/61/148020561.db2.gz JNHULVFPEBPYEI-FQEVSTJZSA-N 1 3 343.515 2.602 20 0 EFADHO O=C(CCc1ccccc1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359209538 148024552 /nfs/dbraw/zinc/02/45/52/148024552.db2.gz CVVXYKILJQIONY-UHFFFAOYSA-N 1 3 343.515 2.543 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359226043 148029574 /nfs/dbraw/zinc/02/95/74/148029574.db2.gz MWPGSWGVVLMFNC-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359226043 148029577 /nfs/dbraw/zinc/02/95/77/148029577.db2.gz MWPGSWGVVLMFNC-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000359666086 148157000 /nfs/dbraw/zinc/15/70/00/148157000.db2.gz VMAJBDBGCPWLDH-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000359666086 148157003 /nfs/dbraw/zinc/15/70/03/148157003.db2.gz VMAJBDBGCPWLDH-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C[C@H](C)O1 ZINC000359666086 148157004 /nfs/dbraw/zinc/15/70/04/148157004.db2.gz VMAJBDBGCPWLDH-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894876 148218257 /nfs/dbraw/zinc/21/82/57/148218257.db2.gz GXDLQDIJPMFPIU-CEWLAPEOSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894876 148218258 /nfs/dbraw/zinc/21/82/58/148218258.db2.gz GXDLQDIJPMFPIU-CEWLAPEOSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894876 148218260 /nfs/dbraw/zinc/21/82/60/148218260.db2.gz GXDLQDIJPMFPIU-CEWLAPEOSA-N 1 3 336.483 2.909 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](CC)N2CCCC2)[C@H](C)C1 ZINC000360079350 148266697 /nfs/dbraw/zinc/26/66/97/148266697.db2.gz ODXZTERVEQVFLZ-QRVBRYPASA-N 1 3 325.541 2.587 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000360289305 148320338 /nfs/dbraw/zinc/32/03/38/148320338.db2.gz AXFYYDFWKBNBJA-OALUTQOASA-N 1 3 349.519 2.779 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363687000 149000352 /nfs/dbraw/zinc/00/03/52/149000352.db2.gz AXALEGPZJWSSRK-ISPXXFMDSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363687000 149000353 /nfs/dbraw/zinc/00/03/53/149000353.db2.gz AXALEGPZJWSSRK-ISPXXFMDSA-N 1 3 341.499 2.619 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCC2 ZINC000363780265 149011560 /nfs/dbraw/zinc/01/15/60/149011560.db2.gz BWQQFMLAKXEDLL-JXFKEZNVSA-N 1 3 327.516 2.994 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000363791934 149013149 /nfs/dbraw/zinc/01/31/49/149013149.db2.gz LIXVVNHLBKCKAF-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000363791934 149013151 /nfs/dbraw/zinc/01/31/51/149013151.db2.gz LIXVVNHLBKCKAF-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000363832903 149018162 /nfs/dbraw/zinc/01/81/62/149018162.db2.gz QDVBXIGTGMQYRW-OXJNMPFZSA-N 1 3 341.499 2.670 20 0 EFADHO c1ccc(C[N@H+]2CCC[C@@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000364124039 149073586 /nfs/dbraw/zinc/07/35/86/149073586.db2.gz ZZDMMJSLLXHIHZ-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CCC[C@@]3(CCN(CCC4OCCO4)C3)C2)cc1 ZINC000364124039 149073589 /nfs/dbraw/zinc/07/35/89/149073589.db2.gz ZZDMMJSLLXHIHZ-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452798 149156810 /nfs/dbraw/zinc/15/68/10/149156810.db2.gz YGVDHOBDPFBGIM-YTQUADARSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452798 149156812 /nfs/dbraw/zinc/15/68/12/149156812.db2.gz YGVDHOBDPFBGIM-YTQUADARSA-N 1 3 331.504 2.904 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000364464347 149159171 /nfs/dbraw/zinc/15/91/71/149159171.db2.gz WLYGTPMQZJEXQI-IEBWSBKVSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737970 149230788 /nfs/dbraw/zinc/23/07/88/149230788.db2.gz GMPGBDRVYIKMQN-WOJBJXKFSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737970 149230794 /nfs/dbraw/zinc/23/07/94/149230794.db2.gz GMPGBDRVYIKMQN-WOJBJXKFSA-N 1 3 341.499 2.642 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000354509917 286150103 /nfs/dbraw/zinc/15/01/03/286150103.db2.gz LOKHNPPUPINCSO-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000367997842 150005701 /nfs/dbraw/zinc/00/57/01/150005701.db2.gz NNWKIAMVFJLPKN-KSSFIOAISA-N 1 3 348.462 2.912 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216970 150069732 /nfs/dbraw/zinc/06/97/32/150069732.db2.gz VMFFYZFSFMSGRV-CYBMUJFWSA-N 1 3 343.302 2.647 20 0 EFADHO CN1CCC([N@@H+]2CC[C@@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216970 150069734 /nfs/dbraw/zinc/06/97/34/150069734.db2.gz VMFFYZFSFMSGRV-CYBMUJFWSA-N 1 3 343.302 2.647 20 0 EFADHO CN1CCC([N@H+]2CC[C@@H](NCc3ccnc(Cl)c3Cl)C2)CC1 ZINC000368216970 150069736 /nfs/dbraw/zinc/06/97/36/150069736.db2.gz VMFFYZFSFMSGRV-CYBMUJFWSA-N 1 3 343.302 2.647 20 0 EFADHO COc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000368222749 150070882 /nfs/dbraw/zinc/07/08/82/150070882.db2.gz RAWGRUOALLSZSQ-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000368281888 150085810 /nfs/dbraw/zinc/08/58/10/150085810.db2.gz PHCDBVKYVLKUHR-SFHVURJKSA-N 1 3 327.488 2.530 20 0 EFADHO CC[N@@H+]1CC[C@@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@@H](C)C1 ZINC000368316434 150092782 /nfs/dbraw/zinc/09/27/82/150092782.db2.gz QLXDSHXVBFZVJX-QFBILLFUSA-N 1 3 345.531 2.958 20 0 EFADHO CC[N@H+]1CC[C@@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@@H](C)C1 ZINC000368316434 150092783 /nfs/dbraw/zinc/09/27/83/150092783.db2.gz QLXDSHXVBFZVJX-QFBILLFUSA-N 1 3 345.531 2.958 20 0 EFADHO CCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368452408 150121918 /nfs/dbraw/zinc/12/19/18/150121918.db2.gz AKOMSDWMKUYZER-NEWSRXKRSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000369088712 150272774 /nfs/dbraw/zinc/27/27/74/150272774.db2.gz VUSYOSLASJPFSM-QGZVFWFLSA-N 1 3 330.476 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000369088712 150272776 /nfs/dbraw/zinc/27/27/76/150272776.db2.gz VUSYOSLASJPFSM-QGZVFWFLSA-N 1 3 330.476 2.887 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])cc(Br)c1OC ZINC000414791189 286221992 /nfs/dbraw/zinc/22/19/92/286221992.db2.gz BASNINNGBSKTGB-WCQYABFASA-N 1 3 343.265 2.683 20 0 EFADHO C[C@@H](CCNC(=O)N1CCCC12CCN(C)CC2)[NH+]1CCCCC1 ZINC000373257438 151142070 /nfs/dbraw/zinc/14/20/70/151142070.db2.gz DUUJRZQGBGHZCM-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C23CCCN2CCC3)CC1 ZINC000373372251 151159594 /nfs/dbraw/zinc/15/95/94/151159594.db2.gz DMPGYCYEHKOIFU-KRWDZBQOSA-N 1 3 341.499 2.957 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000373372251 151159596 /nfs/dbraw/zinc/15/95/96/151159596.db2.gz DMPGYCYEHKOIFU-KRWDZBQOSA-N 1 3 341.499 2.957 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422931603 286241409 /nfs/dbraw/zinc/24/14/09/286241409.db2.gz XYCXCFOEZJOMHS-AQNXPRMDSA-N 1 3 348.487 2.983 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)[C@H]2C1 ZINC000373827514 151232495 /nfs/dbraw/zinc/23/24/95/151232495.db2.gz WPKPOKAMOGMGOY-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)[C@H]2C1 ZINC000373827514 151232497 /nfs/dbraw/zinc/23/24/97/151232497.db2.gz WPKPOKAMOGMGOY-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000374292034 151317015 /nfs/dbraw/zinc/31/70/15/151317015.db2.gz BIWHYBOACVNEPV-VQTJNVASSA-N 1 3 337.467 2.576 20 0 EFADHO CN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](c2ccccc2)C1 ZINC000374292032 151317052 /nfs/dbraw/zinc/31/70/52/151317052.db2.gz BIWHYBOACVNEPV-UXHICEINSA-N 1 3 337.467 2.576 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374325872 151323290 /nfs/dbraw/zinc/32/32/90/151323290.db2.gz CUESXFKJYJSLFD-ICSRJNTNSA-N 1 3 330.520 2.725 20 0 EFADHO Fc1ccc(CCN2CCC([NH2+][C@H]3CCc4cn[nH]c4C3)CC2)cc1 ZINC000374469461 151353878 /nfs/dbraw/zinc/35/38/78/151353878.db2.gz RKAYIWVRHMKKOE-IBGZPJMESA-N 1 3 342.462 2.703 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000338303698 292252567 /nfs/dbraw/zinc/25/25/67/292252567.db2.gz WQAONLYJYFCCJA-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000338303698 292252569 /nfs/dbraw/zinc/25/25/69/292252569.db2.gz WQAONLYJYFCCJA-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000378618046 152128168 /nfs/dbraw/zinc/12/81/68/152128168.db2.gz BVZSZLJEOQLOLF-OAHLLOKOSA-N 1 3 335.879 2.908 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(C)c3ccccc3C2)cc1 ZINC000420317891 286372251 /nfs/dbraw/zinc/37/22/51/286372251.db2.gz NICRRGWEVYEVQU-GOSISDBHSA-N 1 3 325.456 2.690 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000420317891 286372252 /nfs/dbraw/zinc/37/22/52/286372252.db2.gz NICRRGWEVYEVQU-GOSISDBHSA-N 1 3 325.456 2.690 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000420317891 286372254 /nfs/dbraw/zinc/37/22/54/286372254.db2.gz NICRRGWEVYEVQU-GOSISDBHSA-N 1 3 325.456 2.690 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1OCCN(C)C ZINC000422819268 286921866 /nfs/dbraw/zinc/92/18/66/286921866.db2.gz HXLOZQFKPFWMFA-XLIONFOSSA-N 1 3 341.499 2.675 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353555075 287010260 /nfs/dbraw/zinc/01/02/60/287010260.db2.gz YSXXBCQQIOTSMQ-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179277 287107840 /nfs/dbraw/zinc/10/78/40/287107840.db2.gz AFZABTWYTDSLBK-IPMKNSEASA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359219274 287274450 /nfs/dbraw/zinc/27/44/50/287274450.db2.gz DYOLIWSQHFFDAN-KZNAEPCWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359219274 287274451 /nfs/dbraw/zinc/27/44/51/287274451.db2.gz DYOLIWSQHFFDAN-KZNAEPCWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000342812991 287289344 /nfs/dbraw/zinc/28/93/44/287289344.db2.gz NUMXCRFGNCCYEO-FBVAEJEDSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000342812991 287289346 /nfs/dbraw/zinc/28/93/46/287289346.db2.gz NUMXCRFGNCCYEO-FBVAEJEDSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000341563649 287389619 /nfs/dbraw/zinc/38/96/19/287389619.db2.gz WUEWMRHFJGKAHS-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165308593 226119429 /nfs/dbraw/zinc/11/94/29/226119429.db2.gz ZGTMXMXIGMNZKQ-QCFAMHMHSA-N 1 3 329.532 2.869 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000166265065 226153435 /nfs/dbraw/zinc/15/34/35/226153435.db2.gz DDOOYWVHUMIMIX-RYRKJORJSA-N 1 3 331.504 2.903 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000168508048 226216627 /nfs/dbraw/zinc/21/66/27/226216627.db2.gz XCWMYOAPWSCWKQ-WZGPROSRSA-N 1 3 329.488 2.625 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)c2ccccc2OCCN(C)C)c1 ZINC000123281352 222248922 /nfs/dbraw/zinc/24/89/22/222248922.db2.gz WHMTYFDOKMQITA-UHFFFAOYSA-N 1 3 341.455 2.989 20 0 EFADHO C[C@H](N[C@@H]1CCCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000090919405 544533645 /nfs/dbraw/zinc/53/36/45/544533645.db2.gz MIOZGYJNPDZGQS-WMLDXEAASA-N 1 3 333.451 2.641 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092046522 544542027 /nfs/dbraw/zinc/54/20/27/544542027.db2.gz GZZPCDRUFBPJIY-IBGZPJMESA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000089584727 544524878 /nfs/dbraw/zinc/52/48/78/544524878.db2.gz MFVVWARSPHMDHG-XJKSGUPXSA-N 1 3 335.879 2.765 20 0 EFADHO C[C@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000089584736 544525041 /nfs/dbraw/zinc/52/50/41/544525041.db2.gz MFVVWARSPHMDHG-BBRMVZONSA-N 1 3 335.879 2.765 20 0 EFADHO C[C@@H](N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1CC[NH+](C)CC1 ZINC000090076839 544529971 /nfs/dbraw/zinc/52/99/71/544529971.db2.gz SMANZTMPNOXAQM-CXAGYDPISA-N 1 3 335.879 2.765 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777776 544634273 /nfs/dbraw/zinc/63/42/73/544634273.db2.gz DZVOMODBQDHYGL-SPYBWZPUSA-N 1 3 330.451 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777776 544634276 /nfs/dbraw/zinc/63/42/76/544634276.db2.gz DZVOMODBQDHYGL-SPYBWZPUSA-N 1 3 330.451 2.872 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777977 544634377 /nfs/dbraw/zinc/63/43/77/544634377.db2.gz DZVOMODBQDHYGL-ZRGWGRIASA-N 1 3 330.451 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777977 544634380 /nfs/dbraw/zinc/63/43/80/544634380.db2.gz DZVOMODBQDHYGL-ZRGWGRIASA-N 1 3 330.451 2.872 20 0 EFADHO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnn2)c1 ZINC000125856409 544619082 /nfs/dbraw/zinc/61/90/82/544619082.db2.gz GRBYEJPMRXUEOF-WMLDXEAASA-N 1 3 330.480 2.679 20 0 EFADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnn2)c1 ZINC000125856540 544619498 /nfs/dbraw/zinc/61/94/98/544619498.db2.gz GRBYEJPMRXUEOF-RHSMWYFYSA-N 1 3 330.480 2.679 20 0 EFADHO CCC[NH+]1CCC(Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000130290088 544652735 /nfs/dbraw/zinc/65/27/35/544652735.db2.gz KYQMMXJGVFBMJT-UHFFFAOYSA-N 1 3 330.520 2.720 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC2([NH3+])CCC2)c2cccs2)CC1 ZINC000163579091 544836404 /nfs/dbraw/zinc/83/64/04/544836404.db2.gz IYQGFSXIBGQPJJ-HNNXBMFYSA-N 1 3 335.517 2.909 20 0 EFADHO C[C@@H](NCc1nccn1CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000164314169 544840571 /nfs/dbraw/zinc/84/05/71/544840571.db2.gz XBSKUENICLYCLM-QGZVFWFLSA-N 1 3 326.488 2.946 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000277206206 273150882 /nfs/dbraw/zinc/15/08/82/273150882.db2.gz WEPYNBHMTDQZIP-SXLOBPIMSA-N 1 3 347.572 2.924 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CSCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000277206206 273150884 /nfs/dbraw/zinc/15/08/84/273150884.db2.gz WEPYNBHMTDQZIP-SXLOBPIMSA-N 1 3 347.572 2.924 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000186599812 265072419 /nfs/dbraw/zinc/07/24/19/265072419.db2.gz NEXSBDCFLAXAQQ-LSDHHAIUSA-N 1 3 336.549 2.699 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000190123428 265211906 /nfs/dbraw/zinc/21/19/06/265211906.db2.gz HBYXMIYTNFQIQR-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2CCO[C@@H](C)C2)CC1 ZINC000192794211 265309431 /nfs/dbraw/zinc/30/94/31/265309431.db2.gz ZYMXXQYBRLDIMX-SFHVURJKSA-N 1 3 325.541 2.541 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCCC2)N(C)C)cc1 ZINC000194471010 265371588 /nfs/dbraw/zinc/37/15/88/265371588.db2.gz FMSTUIAWHMDSTO-IBGZPJMESA-N 1 3 346.519 2.773 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000271553176 266006489 /nfs/dbraw/zinc/00/64/89/266006489.db2.gz VEVBQDLKXNQHQI-GKCIPKSASA-N 1 3 345.487 2.673 20 0 EFADHO c1ccc(CC[NH+]2CCC(NC[C@H]3COC4(CCCC4)O3)CC2)cc1 ZINC000271676473 266038751 /nfs/dbraw/zinc/03/87/51/266038751.db2.gz IWXMNUXGKCIWEX-FQEVSTJZSA-N 1 3 344.499 2.969 20 0 EFADHO COCCn1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272205149 266188619 /nfs/dbraw/zinc/18/86/19/266188619.db2.gz PGLNTHPKGGKCBX-FXAWDEMLSA-N 1 3 342.487 2.530 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280920 266214862 /nfs/dbraw/zinc/21/48/62/266214862.db2.gz MSCPGURFNRYQSZ-NZSAHSFTSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280920 266214866 /nfs/dbraw/zinc/21/48/66/266214866.db2.gz MSCPGURFNRYQSZ-NZSAHSFTSA-N 1 3 331.504 2.599 20 0 EFADHO CCC[C@](C)(N)C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000272344557 266234684 /nfs/dbraw/zinc/23/46/84/266234684.db2.gz PMZIBDFOGUQAFO-IBGZPJMESA-N 1 3 335.492 2.541 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)NCCN(C)C)c2)CC1 ZINC000272397778 266253526 /nfs/dbraw/zinc/25/35/26/266253526.db2.gz WODMTBYAWJZTMD-UHFFFAOYSA-N 1 3 332.492 2.644 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000272513574 266289851 /nfs/dbraw/zinc/28/98/51/266289851.db2.gz XYUUQOPEVYSBAU-KRWDZBQOSA-N 1 3 335.517 2.734 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272569062 266310791 /nfs/dbraw/zinc/31/07/91/266310791.db2.gz HRHFVCRZDSIZOP-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO COCCOCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272645198 266337577 /nfs/dbraw/zinc/33/75/77/266337577.db2.gz DJGCUONTCMFBGR-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@H]([NH2+]C[C@@](C)(O)c1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272671935 266346214 /nfs/dbraw/zinc/34/62/14/266346214.db2.gz PRAYRRSDWPOEAZ-ILZDJORESA-N 1 3 328.456 2.987 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000272700524 266354728 /nfs/dbraw/zinc/35/47/28/266354728.db2.gz RYYGKHHKDHJRNG-VNTMZGSJSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272700524 266354731 /nfs/dbraw/zinc/35/47/31/266354731.db2.gz RYYGKHHKDHJRNG-VNTMZGSJSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272700524 266354736 /nfs/dbraw/zinc/35/47/36/266354736.db2.gz RYYGKHHKDHJRNG-VNTMZGSJSA-N 1 3 332.488 2.538 20 0 EFADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000272705950 266356544 /nfs/dbraw/zinc/35/65/44/266356544.db2.gz UEKUUPMKPOLFCN-PWRODBHTSA-N 1 3 338.499 2.853 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000103211583 273000901 /nfs/dbraw/zinc/00/09/01/273000901.db2.gz DVVKADONJQIHBS-UHFFFAOYSA-N 1 3 332.275 2.559 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1)C(C)C ZINC000108339332 273009511 /nfs/dbraw/zinc/00/95/11/273009511.db2.gz QJMTXXDRQNCCLP-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1)C(C)C ZINC000108339332 273009512 /nfs/dbraw/zinc/00/95/12/273009512.db2.gz QJMTXXDRQNCCLP-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N(CC)CC ZINC000275726220 266864282 /nfs/dbraw/zinc/86/42/82/266864282.db2.gz PDLUQTRVGHBMNJ-RBUKOAKNSA-N 1 3 346.519 2.673 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276660548 267030341 /nfs/dbraw/zinc/03/03/41/267030341.db2.gz VZVWDPVCGYZMEG-LEWJYISDSA-N 1 3 344.499 2.943 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000276831382 267057931 /nfs/dbraw/zinc/05/79/31/267057931.db2.gz BMVVUXKWJLGDHM-MSOLQXFVSA-N 1 3 349.544 2.598 20 0 EFADHO COC(=O)c1csc(-c2cccc(CNC3CC[NH+](C)CC3)c2)n1 ZINC000276983272 267091852 /nfs/dbraw/zinc/09/18/52/267091852.db2.gz ZKXZTWAFVGWGRG-UHFFFAOYSA-N 1 3 345.468 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H]2CSCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000277158601 267121330 /nfs/dbraw/zinc/12/13/30/267121330.db2.gz QWHXPGSBQIESLE-QRQLOZEOSA-N 1 3 333.545 2.676 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H]2CSCCN2Cc2ccccc2)CC[N@H+]1C ZINC000277158601 267121332 /nfs/dbraw/zinc/12/13/32/267121332.db2.gz QWHXPGSBQIESLE-QRQLOZEOSA-N 1 3 333.545 2.676 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CS1 ZINC000277246194 267137484 /nfs/dbraw/zinc/13/74/84/267137484.db2.gz NPZOMPSDHXDYLE-FHWLQOOXSA-N 1 3 334.529 2.873 20 0 EFADHO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000277277286 267145692 /nfs/dbraw/zinc/14/56/92/267145692.db2.gz QDRZYPKPYILXLC-MRXNPFEDSA-N 1 3 347.503 2.584 20 0 EFADHO CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000277887782 267290385 /nfs/dbraw/zinc/29/03/85/267290385.db2.gz ZOKAPFOVDLURHR-ACRUOGEOSA-N 1 3 346.515 2.760 20 0 EFADHO CCOCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000277887782 267290387 /nfs/dbraw/zinc/29/03/87/267290387.db2.gz ZOKAPFOVDLURHR-ACRUOGEOSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177049300 273035963 /nfs/dbraw/zinc/03/59/63/273035963.db2.gz NJUYNLCVNYISAM-QGZVFWFLSA-N 1 3 332.492 2.848 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177049300 273035964 /nfs/dbraw/zinc/03/59/64/273035964.db2.gz NJUYNLCVNYISAM-QGZVFWFLSA-N 1 3 332.492 2.848 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[NH2+]CCCN2CCCC2)CC1 ZINC000177550422 273037715 /nfs/dbraw/zinc/03/77/15/273037715.db2.gz QBGVNGBGEHVWPW-UHFFFAOYSA-N 1 3 325.497 2.709 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237545821 273071405 /nfs/dbraw/zinc/07/14/05/273071405.db2.gz PCWGNDBJDFDNQP-NUJGCVRESA-N 1 3 331.504 2.602 20 0 EFADHO COc1ccc(Br)cc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000258870444 273074994 /nfs/dbraw/zinc/07/49/94/273074994.db2.gz AUCDYQZGVCOLSE-LBPRGKRZSA-N 1 3 327.266 2.937 20 0 EFADHO C[N@H+]1CC=C(CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000274107291 273122096 /nfs/dbraw/zinc/12/20/96/273122096.db2.gz UWBVEWRKUBNVNY-UHFFFAOYSA-N 1 3 337.261 2.736 20 0 EFADHO C[N@@H+]1CC=C(CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000274107291 273122097 /nfs/dbraw/zinc/12/20/97/273122097.db2.gz UWBVEWRKUBNVNY-UHFFFAOYSA-N 1 3 337.261 2.736 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000279173679 273184728 /nfs/dbraw/zinc/18/47/28/273184728.db2.gz JJPABQWRDFLZQU-IHPCNDPISA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000279173679 273184729 /nfs/dbraw/zinc/18/47/29/273184729.db2.gz JJPABQWRDFLZQU-IHPCNDPISA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000279636038 273236593 /nfs/dbraw/zinc/23/65/93/273236593.db2.gz ZRCXYOWCTXFHTC-FXAWDEMLSA-N 1 3 339.483 2.694 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000279636047 273236654 /nfs/dbraw/zinc/23/66/54/273236654.db2.gz ZRCXYOWCTXFHTC-XLIONFOSSA-N 1 3 339.483 2.694 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279743061 273248547 /nfs/dbraw/zinc/24/85/47/273248547.db2.gz PDLKNFFROQAMEY-ICSRJNTNSA-N 1 3 333.520 2.770 20 0 EFADHO Clc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)c(-n2cncn2)c1 ZINC000280062927 273286531 /nfs/dbraw/zinc/28/65/31/273286531.db2.gz XALIVKKUHQHITJ-UHFFFAOYSA-N 1 3 345.878 2.885 20 0 EFADHO Cc1ccccc1-n1nccc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000280250719 273307284 /nfs/dbraw/zinc/30/72/84/273307284.db2.gz KSCSRZXKAHWYJQ-UHFFFAOYSA-N 1 3 342.487 2.506 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccnn1-c1ccccc1C ZINC000280290872 273312054 /nfs/dbraw/zinc/31/20/54/273312054.db2.gz NNIWMWKFCUCQQV-GOSISDBHSA-N 1 3 330.476 2.627 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000280359118 273319612 /nfs/dbraw/zinc/31/96/12/273319612.db2.gz RWZLWXATLWUDKA-HHXXYDBFSA-N 1 3 345.487 2.865 20 0 EFADHO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000281007231 273390923 /nfs/dbraw/zinc/39/09/23/273390923.db2.gz LCZINQILWKKDRK-IQMFZBJNSA-N 1 3 338.517 2.579 20 0 EFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000281538079 273444769 /nfs/dbraw/zinc/44/47/69/273444769.db2.gz ILNIYAJGWFXWIY-CYBMUJFWSA-N 1 3 330.394 2.683 20 0 EFADHO CN(C)C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000282833880 273625599 /nfs/dbraw/zinc/62/55/99/273625599.db2.gz JZSFQBYMSVFSMI-GOSISDBHSA-N 1 3 349.906 2.933 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000416836577 273769962 /nfs/dbraw/zinc/76/99/62/273769962.db2.gz GSJCTPKZNZZPJM-RTBURBONSA-N 1 3 346.519 2.683 20 0 EFADHO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000285466325 274004917 /nfs/dbraw/zinc/00/49/17/274004917.db2.gz KCCIZHOLJCAZJY-ROUUACIJSA-N 1 3 345.531 2.979 20 0 EFADHO COC(=O)CC1(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285526898 274018107 /nfs/dbraw/zinc/01/81/07/274018107.db2.gz KQBNYPRQGWRZNT-OAQYLSRUSA-N 1 3 342.483 2.928 20 0 EFADHO COC(=O)CC1(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285526898 274018108 /nfs/dbraw/zinc/01/81/08/274018108.db2.gz KQBNYPRQGWRZNT-OAQYLSRUSA-N 1 3 342.483 2.928 20 0 EFADHO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285587497 274031919 /nfs/dbraw/zinc/03/19/19/274031919.db2.gz OQYYQEYBSDORNI-QFIPXVFZSA-N 1 3 349.478 2.884 20 0 EFADHO NC(=O)c1ccc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285587497 274031920 /nfs/dbraw/zinc/03/19/20/274031920.db2.gz OQYYQEYBSDORNI-QFIPXVFZSA-N 1 3 349.478 2.884 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285687707 274053196 /nfs/dbraw/zinc/05/31/96/274053196.db2.gz OGLJUCUDPVKYIC-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286244194 274160856 /nfs/dbraw/zinc/16/08/56/274160856.db2.gz UBWWNOHBGREZFC-CYBMUJFWSA-N 1 3 331.460 2.931 20 0 EFADHO C[C@@H]([NH3+])[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000286268676 274166002 /nfs/dbraw/zinc/16/60/02/274166002.db2.gz VYHNPNPAIWBQLG-CHWSQXEVSA-N 1 3 345.409 2.579 20 0 EFADHO CN(CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1)Cc1ccco1 ZINC000286414764 274196402 /nfs/dbraw/zinc/19/64/02/274196402.db2.gz FMBGEVXSRUFKLN-UHFFFAOYSA-N 1 3 343.471 2.935 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC000422814736 274237667 /nfs/dbraw/zinc/23/76/67/274237667.db2.gz ADCGJNMFMJTEAN-DYESRHJHSA-N 1 3 334.467 2.963 20 0 EFADHO CC1(C[NH2+]CCCOC2CCN(Cc3ccccc3)CC2)COC1 ZINC000286696061 274253449 /nfs/dbraw/zinc/25/34/49/274253449.db2.gz WDFZSXFKUZOQEZ-UHFFFAOYSA-N 1 3 332.488 2.684 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000287012009 274321936 /nfs/dbraw/zinc/32/19/36/274321936.db2.gz HTJZBTMBMKTHGS-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000287012009 274321938 /nfs/dbraw/zinc/32/19/38/274321938.db2.gz HTJZBTMBMKTHGS-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccccc1CCN(C)C ZINC000287114530 274345864 /nfs/dbraw/zinc/34/58/64/274345864.db2.gz KGCOXTHQIDSMLP-APWZRJJASA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000338016455 274355023 /nfs/dbraw/zinc/35/50/23/274355023.db2.gz MAYDTQDTSLRVJS-GSEOLPGOSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000338016455 274355025 /nfs/dbraw/zinc/35/50/25/274355025.db2.gz MAYDTQDTSLRVJS-GSEOLPGOSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000287242989 274376566 /nfs/dbraw/zinc/37/65/66/274376566.db2.gz SXQZIEURCZLCQT-LPHOPBHVSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1CCN(C)C ZINC000287345283 274399815 /nfs/dbraw/zinc/39/98/15/274399815.db2.gz PNWAQDSBTOGXAH-WMZOPIPTSA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000287441264 274420958 /nfs/dbraw/zinc/42/09/58/274420958.db2.gz FZUZDQPKTUTFER-VQIMIIECSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933632 274503383 /nfs/dbraw/zinc/50/33/83/274503383.db2.gz BPFALGAWIYFDEK-IHRRRGAJSA-N 1 3 340.309 2.991 20 0 EFADHO CC(C)Oc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289386210 274751646 /nfs/dbraw/zinc/75/16/46/274751646.db2.gz DFVQMWNHIOAASX-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000289419530 274757584 /nfs/dbraw/zinc/75/75/84/274757584.db2.gz IVXYCKFYBGNJAG-KRWDZBQOSA-N 1 3 333.495 2.889 20 0 EFADHO O=c1[nH]c2ccccc2n1C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420303541 275062220 /nfs/dbraw/zinc/06/22/20/275062220.db2.gz KPYGQJBFDLOFQX-HNNXBMFYSA-N 1 3 328.460 2.769 20 0 EFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000418352095 276057900 /nfs/dbraw/zinc/05/79/00/276057900.db2.gz MDVGXBLUXUGMPZ-CRAIPNDOSA-N 1 3 332.492 2.545 20 0 EFADHO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000449332236 276063777 /nfs/dbraw/zinc/06/37/77/276063777.db2.gz CNDOWMHLQUSADF-KCITZHQASA-N 1 3 329.488 2.526 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154530845 276074891 /nfs/dbraw/zinc/07/48/91/276074891.db2.gz SGDBHUDHHGUZNR-NVXWUHKLSA-N 1 3 344.421 2.882 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154530845 276074892 /nfs/dbraw/zinc/07/48/92/276074892.db2.gz SGDBHUDHHGUZNR-NVXWUHKLSA-N 1 3 344.421 2.882 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338484836 276107863 /nfs/dbraw/zinc/10/78/63/276107863.db2.gz RGICSWGLCCIOKO-YQVWRLOYSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)Cc1ccccc1 ZINC000185830562 276170483 /nfs/dbraw/zinc/17/04/83/276170483.db2.gz HDSKHDDJAZMBNO-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N(C)Cc1ccccc1 ZINC000185830562 276170484 /nfs/dbraw/zinc/17/04/84/276170484.db2.gz HDSKHDDJAZMBNO-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000426118332 276198431 /nfs/dbraw/zinc/19/84/31/276198431.db2.gz XVYSRMWJKAMZBT-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000428471315 276203385 /nfs/dbraw/zinc/20/33/85/276203385.db2.gz WSNPWKZWZMLTTL-WOJBJXKFSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000428471315 276203386 /nfs/dbraw/zinc/20/33/86/276203386.db2.gz WSNPWKZWZMLTTL-WOJBJXKFSA-N 1 3 331.504 2.564 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000354533424 276224476 /nfs/dbraw/zinc/22/44/76/276224476.db2.gz CWNQZYNZASKYHO-WBVHZDCISA-N 1 3 346.475 2.529 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000354533424 276224477 /nfs/dbraw/zinc/22/44/77/276224477.db2.gz CWNQZYNZASKYHO-WBVHZDCISA-N 1 3 346.475 2.529 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340185146 276385494 /nfs/dbraw/zinc/38/54/94/276385494.db2.gz KCCNDSHQSUSSRG-KRWDZBQOSA-N 1 3 333.520 2.727 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2CCCO)CC1 ZINC000092785223 276388408 /nfs/dbraw/zinc/38/84/08/276388408.db2.gz ZMTAFZRDAUHMKD-IBGZPJMESA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CCCO)CC1 ZINC000092785223 276388411 /nfs/dbraw/zinc/38/84/11/276388411.db2.gz ZMTAFZRDAUHMKD-IBGZPJMESA-N 1 3 331.504 2.565 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418649742 276680064 /nfs/dbraw/zinc/68/00/64/276680064.db2.gz JNTJDQSEJSJFBL-HKUYNNGSSA-N 1 3 344.503 2.519 20 0 EFADHO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411259563 277007475 /nfs/dbraw/zinc/00/74/75/277007475.db2.gz WXKLCXRLFGORIC-LJQANCHMSA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411259563 277007478 /nfs/dbraw/zinc/00/74/78/277007478.db2.gz WXKLCXRLFGORIC-LJQANCHMSA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411259563 277007480 /nfs/dbraw/zinc/00/74/80/277007480.db2.gz WXKLCXRLFGORIC-LJQANCHMSA-N 1 3 329.488 2.631 20 0 EFADHO C[NH+]1CCC2(CCCN([C@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000374075099 277036610 /nfs/dbraw/zinc/03/66/10/277036610.db2.gz QELKHWIWBHJUJS-SFHVURJKSA-N 1 3 327.472 2.600 20 0 EFADHO COC1CCN(C(C)(C)CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422886305 277194421 /nfs/dbraw/zinc/19/44/21/277194421.db2.gz IVJCXAPFJLVAAX-IRXDYDNUSA-N 1 3 325.541 2.776 20 0 EFADHO COCCN(C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268800169 277211736 /nfs/dbraw/zinc/21/17/36/277211736.db2.gz HFHKHICKDYRDCK-QUCCMNQESA-N 1 3 333.520 2.597 20 0 EFADHO CC(C)(C)c1csc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422746713 277271616 /nfs/dbraw/zinc/27/16/16/277271616.db2.gz XACXRRLAOOTAMU-RRFJBIMHSA-N 1 3 337.533 2.730 20 0 EFADHO CC(C)(CNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341254065 277300737 /nfs/dbraw/zinc/30/07/37/277300737.db2.gz BUUFUTKQMRKTCT-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340307898 277391870 /nfs/dbraw/zinc/39/18/70/277391870.db2.gz RTTNUJPJBNOZOM-ADKAHSJRSA-N 1 3 344.565 2.547 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000269078508 277617324 /nfs/dbraw/zinc/61/73/24/277617324.db2.gz YYYAQDWMNZSLIT-GFCCVEGCSA-N 1 3 332.366 2.693 20 0 EFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000418352104 278045209 /nfs/dbraw/zinc/04/52/09/278045209.db2.gz MDVGXBLUXUGMPZ-QAPCUYQASA-N 1 3 332.492 2.545 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)c2ccccc2C1 ZINC000368019241 278057285 /nfs/dbraw/zinc/05/72/85/278057285.db2.gz LZRIVBIPQAWBJY-BJLQDIEVSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000338460008 278202855 /nfs/dbraw/zinc/20/28/55/278202855.db2.gz CCYOQPOOFJRVOX-FGTMMUONSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000338460008 278202858 /nfs/dbraw/zinc/20/28/58/278202858.db2.gz CCYOQPOOFJRVOX-FGTMMUONSA-N 1 3 338.540 2.526 20 0 EFADHO CC1(C)CCCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423076704 278215597 /nfs/dbraw/zinc/21/55/97/278215597.db2.gz RSZCBAURNRMAGU-NQIIRXRSSA-N 1 3 343.515 2.954 20 0 EFADHO CC1(C)CCCN[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423402972 278222507 /nfs/dbraw/zinc/22/25/07/278222507.db2.gz XWXXAHOYRYUNHA-ROUUACIJSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422942870 278227931 /nfs/dbraw/zinc/22/79/31/278227931.db2.gz KUVCFAYLRIGTKP-QWRGUYRKSA-N 1 3 343.265 2.998 20 0 EFADHO C[C@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000182013150 278255421 /nfs/dbraw/zinc/25/54/21/278255421.db2.gz BUFDBDKKTWHVFN-GOEBONIOSA-N 1 3 331.485 2.818 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237469638 278256467 /nfs/dbraw/zinc/25/64/67/278256467.db2.gz WCYJOGFJOZKOIS-MSOLQXFVSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000423139394 278311620 /nfs/dbraw/zinc/31/16/20/278311620.db2.gz ZSUWTCPYCNULKN-DNVCBOLYSA-N 1 3 335.451 2.587 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC000181816229 278341473 /nfs/dbraw/zinc/34/14/73/278341473.db2.gz ZRKISYHHBXIUKM-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](N[C@@H](C)CCC[NH3+])c1cc2c(cc1Br)OCCO2 ZINC000422942871 278362659 /nfs/dbraw/zinc/36/26/59/278362659.db2.gz KUVCFAYLRIGTKP-WDEREUQCSA-N 1 3 343.265 2.998 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000128360867 288040599 /nfs/dbraw/zinc/04/05/99/288040599.db2.gz CTVQOOSORMENEP-SFHVURJKSA-N 1 3 349.519 2.772 20 0 EFADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414742556 278475174 /nfs/dbraw/zinc/47/51/74/278475174.db2.gz ICVRLPUEHYKMMJ-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C34CCCN3CCC4)C2)CC1 ZINC000365980094 278546147 /nfs/dbraw/zinc/54/61/47/278546147.db2.gz PGIUSUNJBLZLOY-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)Cc3ccccc3)C2)CC1 ZINC000166435800 278546416 /nfs/dbraw/zinc/54/64/16/278546416.db2.gz WZJSWGWUCUGETB-VQTJNVASSA-N 1 3 343.515 2.527 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCCC[NH2+]2)c2ccccc2)CC1 ZINC000165728400 278550561 /nfs/dbraw/zinc/55/05/61/278550561.db2.gz SJBGNHZKSOJKJA-RBUKOAKNSA-N 1 3 329.488 2.718 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000341436614 278695572 /nfs/dbraw/zinc/69/55/72/278695572.db2.gz VLPQZKANCWEKQN-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194076 279097402 /nfs/dbraw/zinc/09/74/02/279097402.db2.gz NBVXPGVYYADSHE-OALUTQOASA-N 1 3 339.568 2.833 20 0 EFADHO CC[NH+](CC)CCOCCNCc1ccc(Br)cc1 ZINC000350324742 279109077 /nfs/dbraw/zinc/10/90/77/279109077.db2.gz XNAUWTHRAUONHN-UHFFFAOYSA-N 1 3 329.282 2.897 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339947700 279117532 /nfs/dbraw/zinc/11/75/32/279117532.db2.gz RFAVACCVCYPERP-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CCNC(=O)N[C@H]1CCCC[C@H]1C[NH+](CC)CC)C1CC1 ZINC000431951475 279120275 /nfs/dbraw/zinc/12/02/75/279120275.db2.gz CJBWMVROXNSOLA-WMZOPIPTSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)N(C)C1CC1 ZINC000431976679 279120359 /nfs/dbraw/zinc/12/03/59/279120359.db2.gz GHOQDOZVDLWMJI-BQFCYCMXSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262653620 279196048 /nfs/dbraw/zinc/19/60/48/279196048.db2.gz BEVHCXSWCXLFLM-WDSOQIARSA-N 1 3 329.488 2.799 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000422771836 279206802 /nfs/dbraw/zinc/20/68/02/279206802.db2.gz RPHHUQZEBWQHEO-HSALFYBXSA-N 1 3 331.504 2.568 20 0 EFADHO C[C@H](C(=O)NCCCN1CCc2ccccc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249920319 279223198 /nfs/dbraw/zinc/22/31/98/279223198.db2.gz YNQKEZCULIQHIW-FGTMMUONSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H](C(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249920319 279223199 /nfs/dbraw/zinc/22/31/99/279223199.db2.gz YNQKEZCULIQHIW-FGTMMUONSA-N 1 3 343.515 2.812 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1)C1CC1 ZINC000352804442 279235452 /nfs/dbraw/zinc/23/54/52/279235452.db2.gz DMTYGNFGPFBUOZ-PXNSSMCTSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1)C1CC1 ZINC000352804442 279235453 /nfs/dbraw/zinc/23/54/53/279235453.db2.gz DMTYGNFGPFBUOZ-PXNSSMCTSA-N 1 3 341.499 2.837 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1)C1CC1 ZINC000361082520 279235943 /nfs/dbraw/zinc/23/59/43/279235943.db2.gz VQRZMUXOTULESB-PMACEKPBSA-N 1 3 341.499 2.789 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414880772 279236005 /nfs/dbraw/zinc/23/60/05/279236005.db2.gz KCWKKZKVCYGSKD-GOSISDBHSA-N 1 3 336.480 2.512 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000343955977 279265806 /nfs/dbraw/zinc/26/58/06/279265806.db2.gz FHQVAABDRTXRIW-ZIFCJYIRSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN(C)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000343955977 279265810 /nfs/dbraw/zinc/26/58/10/279265810.db2.gz FHQVAABDRTXRIW-ZIFCJYIRSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000351815340 279265887 /nfs/dbraw/zinc/26/58/87/279265887.db2.gz SNRNUOWHWFBQGA-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000351815340 279265890 /nfs/dbraw/zinc/26/58/90/279265890.db2.gz SNRNUOWHWFBQGA-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000348535268 279281060 /nfs/dbraw/zinc/28/10/60/279281060.db2.gz SRUYBIULJXZWIB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000348535268 279281063 /nfs/dbraw/zinc/28/10/63/279281063.db2.gz SRUYBIULJXZWIB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000111468540 279281458 /nfs/dbraw/zinc/28/14/58/279281458.db2.gz ZXVKEGKWWRRJAC-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000111468540 279281460 /nfs/dbraw/zinc/28/14/60/279281460.db2.gz ZXVKEGKWWRRJAC-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438273442 279311542 /nfs/dbraw/zinc/31/15/42/279311542.db2.gz RKMDPNAXGHAJKQ-QZTJIDSGSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438273442 279311544 /nfs/dbraw/zinc/31/15/44/279311544.db2.gz RKMDPNAXGHAJKQ-QZTJIDSGSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000340937140 279333642 /nfs/dbraw/zinc/33/36/42/279333642.db2.gz PWWQCWPDVDGNKW-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](COCC(F)(F)F)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422944668 279361604 /nfs/dbraw/zinc/36/16/04/279361604.db2.gz LWBALAPHAJHLIT-INWMFGNUSA-N 1 3 344.377 2.799 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000359468874 279369141 /nfs/dbraw/zinc/36/91/41/279369141.db2.gz QGIWOOSIGYCTKK-NUJGCVRESA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000359468874 279369145 /nfs/dbraw/zinc/36/91/45/279369145.db2.gz QGIWOOSIGYCTKK-NUJGCVRESA-N 1 3 334.508 2.706 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000449396157 279375679 /nfs/dbraw/zinc/37/56/79/279375679.db2.gz RRNXVYCGNYQASH-HXUWFJFHSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000449396157 279375680 /nfs/dbraw/zinc/37/56/80/279375680.db2.gz RRNXVYCGNYQASH-HXUWFJFHSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000377265994 279433418 /nfs/dbraw/zinc/43/34/18/279433418.db2.gz OXTRPFFFEBCLEM-QXAKKESOSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCOC1 ZINC000178698475 279466334 /nfs/dbraw/zinc/46/63/34/279466334.db2.gz DZHQWJVNALEVBF-OALUTQOASA-N 1 3 331.504 2.603 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000418437966 279843236 /nfs/dbraw/zinc/84/32/36/279843236.db2.gz DHYUXPGEEQOVSS-SFHVURJKSA-N 1 3 336.524 2.569 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000105075378 279845273 /nfs/dbraw/zinc/84/52/73/279845273.db2.gz HEEPBVAFZQBVAX-MOPGFXCFSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)N(CC)CC ZINC000431550668 280075763 /nfs/dbraw/zinc/07/57/63/280075763.db2.gz OYPYEDGBHKFJPC-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000126415711 280079201 /nfs/dbraw/zinc/07/92/01/280079201.db2.gz FPINASCHSKQNSL-LPHOPBHVSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000126415711 280079202 /nfs/dbraw/zinc/07/92/02/280079202.db2.gz FPINASCHSKQNSL-LPHOPBHVSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262943051 280166309 /nfs/dbraw/zinc/16/63/09/280166309.db2.gz IZJNSVHGMJKNSO-HBFSDRIKSA-N 1 3 329.488 2.675 20 0 EFADHO CC(C)[C@H](CNC(=O)c1ccc2c(c1)CNC2)[NH+]1CCC(C)CC1 ZINC000347519421 280252961 /nfs/dbraw/zinc/25/29/61/280252961.db2.gz NOXSMUDSOJTXPU-IBGZPJMESA-N 1 3 329.488 2.776 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246629026 288217259 /nfs/dbraw/zinc/21/72/59/288217259.db2.gz NZVVYWSYMMQYIH-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246629026 288217260 /nfs/dbraw/zinc/21/72/60/288217260.db2.gz NZVVYWSYMMQYIH-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190168 280370122 /nfs/dbraw/zinc/37/01/22/280370122.db2.gz KKZAKLLONUFYRY-MOPGFXCFSA-N 1 3 337.552 2.587 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCO2 ZINC000363783170 280959463 /nfs/dbraw/zinc/95/94/63/280959463.db2.gz JABXFARHDZFZND-QUCCMNQESA-N 1 3 343.515 2.831 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)[C@@H](C)C2 ZINC000361069882 281123295 /nfs/dbraw/zinc/12/32/95/281123295.db2.gz UUJJHCBSGVPOCP-YRISNDGFSA-N 1 3 327.516 2.986 20 0 EFADHO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370638226 282046236 /nfs/dbraw/zinc/04/62/36/282046236.db2.gz WTLKGJMGMIMLKK-WMLDXEAASA-N 1 3 334.533 2.587 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CCCC2)CC1)C(C)C ZINC000072517806 292715192 /nfs/dbraw/zinc/71/51/92/292715192.db2.gz MJJJLKUCNHTTQI-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO CN(CCNC(=O)NC(C)(C)CCC[NH+](C)C)Cc1ccccc1 ZINC000457945559 289108110 /nfs/dbraw/zinc/10/81/10/289108110.db2.gz UXURLCRJTGCWCK-UHFFFAOYSA-N 1 3 334.508 2.538 20 0 EFADHO C[C@@]1(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]C1 ZINC000430698142 289133552 /nfs/dbraw/zinc/13/35/52/289133552.db2.gz CAZZETAXZUAZIT-RTWAWAEBSA-N 1 3 341.499 2.501 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C ZINC000433911202 289183946 /nfs/dbraw/zinc/18/39/46/289183946.db2.gz HLLVILBSMDAHEA-IRXDYDNUSA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000356113805 289224181 /nfs/dbraw/zinc/22/41/81/289224181.db2.gz FGPYOFMUABYEFF-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCOCc1ccccc1 ZINC000363778009 289331787 /nfs/dbraw/zinc/33/17/87/289331787.db2.gz PWFYKAKRGIBQPK-HSALFYBXSA-N 1 3 332.488 2.777 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129818 289370587 /nfs/dbraw/zinc/37/05/87/289370587.db2.gz OCKTVLQZXAGAQZ-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO CN1CCC(C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000262974841 289868979 /nfs/dbraw/zinc/86/89/79/289868979.db2.gz SMOKYNZRFVKZCP-QGZVFWFLSA-N 1 3 347.528 2.561 20 0 EFADHO CN1CCC(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000364194624 289869566 /nfs/dbraw/zinc/86/95/66/289869566.db2.gz IILWIAQMDAKRQL-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1(C)C ZINC000367025152 290044764 /nfs/dbraw/zinc/04/47/64/290044764.db2.gz WXJLKCXGNIRFJP-KRWDZBQOSA-N 1 3 335.467 2.655 20 0 EFADHO CN(C)CCN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCC1 ZINC000119345678 292905097 /nfs/dbraw/zinc/90/50/97/292905097.db2.gz QZQJMMJYLMSFDA-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](C(=O)N1CCCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121858406 292953657 /nfs/dbraw/zinc/95/36/57/292953657.db2.gz AFQIXPSKAQBZMI-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000124721527 293001777 /nfs/dbraw/zinc/00/17/77/293001777.db2.gz PALKZCIHORHANF-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000124721527 293001779 /nfs/dbraw/zinc/00/17/79/293001779.db2.gz PALKZCIHORHANF-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO CC[C@H](COC)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125338885 293008754 /nfs/dbraw/zinc/00/87/54/293008754.db2.gz QQIBDLRYUJSINS-LJQANCHMSA-N 1 3 333.520 2.912 20 0 EFADHO COC[C@H]([NH2+]CCCCN1CCN(c2cccc(C)c2)CC1)C1CC1 ZINC000125342962 293009363 /nfs/dbraw/zinc/00/93/63/293009363.db2.gz JURSLQGNKQHMIB-NRFANRHFSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000125754019 293015646 /nfs/dbraw/zinc/01/56/46/293015646.db2.gz PKORUHHLACUBIL-DLBZAZTESA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccsc1 ZINC000126832185 293051184 /nfs/dbraw/zinc/05/11/84/293051184.db2.gz OVLXQMFNKYSMMX-MRXNPFEDSA-N 1 3 338.521 2.524 20 0 EFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128475254 293104130 /nfs/dbraw/zinc/10/41/30/293104130.db2.gz COOUIYCBYBTNOL-ZWKOTPCHSA-N 1 3 333.520 2.804 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1 ZINC000129858981 293145902 /nfs/dbraw/zinc/14/59/02/293145902.db2.gz LLQGCSOKJQERIQ-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(OC)c1 ZINC000129858981 293145905 /nfs/dbraw/zinc/14/59/05/293145905.db2.gz LLQGCSOKJQERIQ-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO CCOc1cc2nccc(NC[C@](C)(O)C[NH+](C)C)c2cc1OCC ZINC000133012860 293244946 /nfs/dbraw/zinc/24/49/46/293244946.db2.gz OUWSENXIBIXVMA-IBGZPJMESA-N 1 3 347.459 2.757 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCN(C)C)cc2)C1 ZINC000133418627 293256725 /nfs/dbraw/zinc/25/67/25/293256725.db2.gz AFQIKJSIRQQBHZ-IRXDYDNUSA-N 1 3 346.519 2.525 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134277868 293283691 /nfs/dbraw/zinc/28/36/91/293283691.db2.gz JOJYUTGUCJSYFB-LJQANCHMSA-N 1 3 343.515 2.713 20 0 EFADHO COCc1cc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)ccc1OC ZINC000128501212 293300490 /nfs/dbraw/zinc/30/04/90/293300490.db2.gz QHIMDLYGRUTLFD-QGZVFWFLSA-N 1 3 349.519 2.520 20 0 EFADHO C[C@H](NCc1ccccc1CO)c1cccc(OCC[NH+](C)C)c1 ZINC000151785536 293302086 /nfs/dbraw/zinc/30/20/86/293302086.db2.gz DSMIIGSCNJNTPD-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000154376533 293422990 /nfs/dbraw/zinc/42/29/90/293422990.db2.gz WAKJUQDURMNJOY-SFHVURJKSA-N 1 3 349.519 2.772 20 0 EFADHO CO[C@@H]1C[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000423173642 293974404 /nfs/dbraw/zinc/97/44/04/293974404.db2.gz ZNJFCIDBADVDEA-KANFNMMFSA-N 1 3 328.456 2.790 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000290032590 293981872 /nfs/dbraw/zinc/98/18/72/293981872.db2.gz CZNJBHRRZMVTLW-PMACEKPBSA-N 1 3 343.515 2.710 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290103758 294000354 /nfs/dbraw/zinc/00/03/54/294000354.db2.gz KDEVWYSMTKRJJU-WNHJNPCNSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290191917 294023223 /nfs/dbraw/zinc/02/32/23/294023223.db2.gz OIHFAPYQTNDATM-RYQLBKOJSA-N 1 3 331.504 2.866 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000290288489 294048434 /nfs/dbraw/zinc/04/84/34/294048434.db2.gz XTTSIPSMBVNQEY-MOPGFXCFSA-N 1 3 331.504 2.731 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000290294863 294049759 /nfs/dbraw/zinc/04/97/59/294049759.db2.gz YGHFBBDCZNZBSR-NJAFHUGGSA-N 1 3 349.544 2.710 20 0 EFADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290306511 294052480 /nfs/dbraw/zinc/05/24/80/294052480.db2.gz COECLMOULJXZSB-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290306511 294052482 /nfs/dbraw/zinc/05/24/82/294052482.db2.gz COECLMOULJXZSB-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO C[NH+](C)CC1(CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CCCC1 ZINC000290342364 294061742 /nfs/dbraw/zinc/06/17/42/294061742.db2.gz FMPYFTWRSVGDCD-IRXDYDNUSA-N 1 3 344.455 2.529 20 0 EFADHO C[NH+](C)CC1(CNC(=O)C2C[C@H](c3ccccc3)OC2=O)CCCC1 ZINC000290342362 294061843 /nfs/dbraw/zinc/06/18/43/294061843.db2.gz FMPYFTWRSVGDCD-DLBZAZTESA-N 1 3 344.455 2.529 20 0 EFADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000290387281 294072731 /nfs/dbraw/zinc/07/27/31/294072731.db2.gz IMVZSPIJDBMYNS-INIZCTEOSA-N 1 3 334.460 2.573 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000290399856 294076646 /nfs/dbraw/zinc/07/66/46/294076646.db2.gz JHGOXGZQKSVLCQ-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000290399856 294076649 /nfs/dbraw/zinc/07/66/49/294076649.db2.gz JHGOXGZQKSVLCQ-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290399856 294076651 /nfs/dbraw/zinc/07/66/51/294076651.db2.gz JHGOXGZQKSVLCQ-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000290399856 294076654 /nfs/dbraw/zinc/07/66/54/294076654.db2.gz JHGOXGZQKSVLCQ-PMACEKPBSA-N 1 3 332.488 2.766 20 0 EFADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc(C)c1O ZINC000290499054 294103212 /nfs/dbraw/zinc/10/32/12/294103212.db2.gz WKKAQYVSJOCDCG-RBUKOAKNSA-N 1 3 332.488 2.867 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000290632393 294141771 /nfs/dbraw/zinc/14/17/71/294141771.db2.gz YAHLJJQBECHMKJ-WMZOPIPTSA-N 1 3 348.487 2.627 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000290632393 294141774 /nfs/dbraw/zinc/14/17/74/294141774.db2.gz YAHLJJQBECHMKJ-WMZOPIPTSA-N 1 3 348.487 2.627 20 0 EFADHO C[C@H](CCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)[NH+]1CCCCC1 ZINC000290656356 294147829 /nfs/dbraw/zinc/14/78/29/294147829.db2.gz ZJPXZHNUOREDMD-NJAFHUGGSA-N 1 3 344.455 2.672 20 0 EFADHO COC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000290745102 294173442 /nfs/dbraw/zinc/17/34/42/294173442.db2.gz QJIRAZBIFZEVAR-GOSISDBHSA-N 1 3 339.911 2.643 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290835886 294198994 /nfs/dbraw/zinc/19/89/94/294198994.db2.gz VDFKHIVPTHEAEN-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000290835886 294198995 /nfs/dbraw/zinc/19/89/95/294198995.db2.gz VDFKHIVPTHEAEN-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290943856 294227002 /nfs/dbraw/zinc/22/70/02/294227002.db2.gz ORLNPXKDXCXQMW-BHYGNILZSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290943856 294227005 /nfs/dbraw/zinc/22/70/05/294227005.db2.gz ORLNPXKDXCXQMW-BHYGNILZSA-N 1 3 332.444 2.527 20 0 EFADHO c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000290964429 294232853 /nfs/dbraw/zinc/23/28/53/294232853.db2.gz WSFUPXONFVGZKA-QGZVFWFLSA-N 1 3 335.455 2.612 20 0 EFADHO C[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)CN(C)C ZINC000291824546 294494194 /nfs/dbraw/zinc/49/41/94/294494194.db2.gz ZMYFOLSBDPPPSZ-CQSZACIVSA-N 1 3 337.895 2.732 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000292071788 294570549 /nfs/dbraw/zinc/57/05/49/294570549.db2.gz LGELNRCSRVDUGK-QGZVFWFLSA-N 1 3 347.528 2.749 20 0 EFADHO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000292921481 294825891 /nfs/dbraw/zinc/82/58/91/294825891.db2.gz GHEKZVOQGRLIAH-UWJYYQICSA-N 1 3 345.531 2.858 20 0 EFADHO CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293582143 295004145 /nfs/dbraw/zinc/00/41/45/295004145.db2.gz CCMMSCIEEXSGCZ-SJORKVTESA-N 1 3 349.519 2.830 20 0 EFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000293586889 295005244 /nfs/dbraw/zinc/00/52/44/295005244.db2.gz KECBFKQCHNLDJU-IIBYNOLFSA-N 1 3 340.467 2.680 20 0 EFADHO C[C@@H](C(=O)NC(C)(C)CCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000293670704 295024055 /nfs/dbraw/zinc/02/40/55/295024055.db2.gz MSZSTKSAVXEIMS-KRWDZBQOSA-N 1 3 345.531 2.963 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)C1 ZINC000293871104 295068479 /nfs/dbraw/zinc/06/84/79/295068479.db2.gz FFKQTVXEYJCBIS-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423034171 295113371 /nfs/dbraw/zinc/11/33/71/295113371.db2.gz PNIRVVBDFKOGOB-HSALFYBXSA-N 1 3 344.499 2.864 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](O)CC1)C1CCN(C)CC1 ZINC000294138574 295117084 /nfs/dbraw/zinc/11/70/84/295117084.db2.gz UTEHARVKQZMVNS-LJQANCHMSA-N 1 3 331.504 2.564 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](O)CC1)C1CCN(C)CC1 ZINC000294138574 295117085 /nfs/dbraw/zinc/11/70/85/295117085.db2.gz UTEHARVKQZMVNS-LJQANCHMSA-N 1 3 331.504 2.564 20 0 EFADHO O=C(NCCC[NH2+]C1CCN(c2ccncc2)CC1)c1cccs1 ZINC000294152780 295119824 /nfs/dbraw/zinc/11/98/24/295119824.db2.gz HPVULKQGRZAQKD-UHFFFAOYSA-N 1 3 344.484 2.522 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000294221912 295130820 /nfs/dbraw/zinc/13/08/20/295130820.db2.gz NROYVPOTALCDNN-OTWHNJEPSA-N 1 3 327.472 2.988 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294263656 295137564 /nfs/dbraw/zinc/13/75/64/295137564.db2.gz NZSKGYRAIYMDNM-HZPDHXFCSA-N 1 3 345.487 2.865 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000343919303 295140497 /nfs/dbraw/zinc/14/04/97/295140497.db2.gz CCOLNGLALICHCA-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO CSc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000294297935 295143288 /nfs/dbraw/zinc/14/32/88/295143288.db2.gz CUUGPLNGDVOIHH-DLBZAZTESA-N 1 3 337.533 2.714 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000294650407 295200782 /nfs/dbraw/zinc/20/07/82/295200782.db2.gz DJWVQIBYCWNBJN-QGZVFWFLSA-N 1 3 347.528 2.756 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000414680108 295216081 /nfs/dbraw/zinc/21/60/81/295216081.db2.gz SPOVKFUKJYCTTA-OXQOHEQNSA-N 1 3 341.499 2.726 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)C1 ZINC000414680108 295216082 /nfs/dbraw/zinc/21/60/82/295216082.db2.gz SPOVKFUKJYCTTA-OXQOHEQNSA-N 1 3 341.499 2.726 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCCCC[C@H]2c2ccccc2)C1 ZINC000414717952 295216110 /nfs/dbraw/zinc/21/61/10/295216110.db2.gz ZZOKYEGCSSWPJH-HKUYNNGSSA-N 1 3 329.488 2.801 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]2c2ccccc2)C1 ZINC000414717952 295216111 /nfs/dbraw/zinc/21/61/11/295216111.db2.gz ZZOKYEGCSSWPJH-HKUYNNGSSA-N 1 3 329.488 2.801 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N2CCCC2)cc1 ZINC000156647669 295241721 /nfs/dbraw/zinc/24/17/21/295241721.db2.gz AXNSWZGZHPSGCX-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000156647669 295241723 /nfs/dbraw/zinc/24/17/23/295241723.db2.gz AXNSWZGZHPSGCX-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000156647669 295241725 /nfs/dbraw/zinc/24/17/25/295241725.db2.gz AXNSWZGZHPSGCX-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000294961209 295251560 /nfs/dbraw/zinc/25/15/60/295251560.db2.gz FXACKCOPPGUGAU-INIZCTEOSA-N 1 3 333.476 2.796 20 0 EFADHO C[C@@H](CCCCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000295031598 295259723 /nfs/dbraw/zinc/25/97/23/295259723.db2.gz LPNOXUOXGUQFIH-KRWDZBQOSA-N 1 3 333.520 2.858 20 0 EFADHO [NH3+]C[C@H](CN1CCNC[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000424305484 295261563 /nfs/dbraw/zinc/26/15/63/295261563.db2.gz SLOAVJPMSZVLCW-APWZRJJASA-N 1 3 331.410 2.654 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000295107939 295269157 /nfs/dbraw/zinc/26/91/57/295269157.db2.gz WYWMEONJKMYFBF-SVFBPWRDSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000295107939 295269159 /nfs/dbraw/zinc/26/91/59/295269159.db2.gz WYWMEONJKMYFBF-SVFBPWRDSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000295107939 295269161 /nfs/dbraw/zinc/26/91/61/295269161.db2.gz WYWMEONJKMYFBF-SVFBPWRDSA-N 1 3 336.483 2.828 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@H+](CC)[C@H](C)CO)c1)[C@H](C)CO ZINC000295144733 295274077 /nfs/dbraw/zinc/27/40/77/295274077.db2.gz AOAFURIRWBJFBB-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@@H+](CC)[C@H](C)CO)c1)[C@H](C)CO ZINC000295144733 295274079 /nfs/dbraw/zinc/27/40/79/295274079.db2.gz AOAFURIRWBJFBB-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295179027 295278761 /nfs/dbraw/zinc/27/87/61/295278761.db2.gz MKRQZMZQMKNQGX-JTDSTZFVSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295179027 295278762 /nfs/dbraw/zinc/27/87/62/295278762.db2.gz MKRQZMZQMKNQGX-JTDSTZFVSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000295184056 295279189 /nfs/dbraw/zinc/27/91/89/295279189.db2.gz NCDUHSJCMSSLEE-AWEZNQCLSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000295184058 295279396 /nfs/dbraw/zinc/27/93/96/295279396.db2.gz NCDUHSJCMSSLEE-CQSZACIVSA-N 1 3 349.906 2.809 20 0 EFADHO C[NH+](C)CCOc1ccc(CCNCc2cc(F)ncc2F)cc1 ZINC000295287610 295293643 /nfs/dbraw/zinc/29/36/43/295293643.db2.gz WTEJZWGHIHDKJI-UHFFFAOYSA-N 1 3 335.398 2.633 20 0 EFADHO CC(C)(O)c1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000295412584 295315985 /nfs/dbraw/zinc/31/59/85/295315985.db2.gz MVGLIOJQLYZEBM-UXHICEINSA-N 1 3 346.515 2.772 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000295656495 295355947 /nfs/dbraw/zinc/35/59/47/295355947.db2.gz DPOIGOMHZSJWCN-TYPHKJRUSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000295656495 295355948 /nfs/dbraw/zinc/35/59/48/295355948.db2.gz DPOIGOMHZSJWCN-TYPHKJRUSA-N 1 3 348.531 2.971 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000295689571 295360892 /nfs/dbraw/zinc/36/08/92/295360892.db2.gz LOLWUVZKRKXIEJ-LJQANCHMSA-N 1 3 344.499 2.835 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2ccc(C(C)(C)O)cc2)ccn1 ZINC000295752729 295370581 /nfs/dbraw/zinc/37/05/81/295370581.db2.gz QVZRAKKNOXVJNP-UHFFFAOYSA-N 1 3 343.471 2.539 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000295846236 295385073 /nfs/dbraw/zinc/38/50/73/295385073.db2.gz WEIIHRFQOXUNEI-QRFRQXIXSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000295846236 295385076 /nfs/dbraw/zinc/38/50/76/295385076.db2.gz WEIIHRFQOXUNEI-QRFRQXIXSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000295846241 295385307 /nfs/dbraw/zinc/38/53/07/295385307.db2.gz WEIIHRFQOXUNEI-XKGZKEIXSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000295846241 295385310 /nfs/dbraw/zinc/38/53/10/295385310.db2.gz WEIIHRFQOXUNEI-XKGZKEIXSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000295886089 295391689 /nfs/dbraw/zinc/39/16/89/295391689.db2.gz HYRLAJGCCHGCCT-LJQANCHMSA-N 1 3 330.476 2.638 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000295926887 295397811 /nfs/dbraw/zinc/39/78/11/295397811.db2.gz KIWOIFSKUFSHRZ-MIGBEJBISA-N 1 3 348.487 2.996 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000295926883 295397841 /nfs/dbraw/zinc/39/78/41/295397841.db2.gz KIWOIFSKUFSHRZ-CCNLRDMRSA-N 1 3 348.487 2.996 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000296276042 295451320 /nfs/dbraw/zinc/45/13/20/295451320.db2.gz DXLQEFWPEYQQQY-INIZCTEOSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448374 298079645 /nfs/dbraw/zinc/07/96/45/298079645.db2.gz OACXHVFRUMVXII-OYNZLANYSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448374 298079647 /nfs/dbraw/zinc/07/96/47/298079647.db2.gz OACXHVFRUMVXII-OYNZLANYSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040336 298138323 /nfs/dbraw/zinc/13/83/23/298138323.db2.gz WHAZPIJVYYSUFD-NEFAXPCMSA-N 1 3 345.531 2.535 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262257721 298302217 /nfs/dbraw/zinc/30/22/17/298302217.db2.gz QTJNJKUUCHZUHS-HOJAQTOUSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430948131 298950339 /nfs/dbraw/zinc/95/03/39/298950339.db2.gz DVFXLSAJJRNJFV-QFBILLFUSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1cc(C)cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414188618 301232590 /nfs/dbraw/zinc/23/25/90/301232590.db2.gz IXLPGQIWWRMPDH-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000414670325 303365952 /nfs/dbraw/zinc/36/59/52/303365952.db2.gz CYQFNZFUEYMHMO-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000414670325 303365954 /nfs/dbraw/zinc/36/59/54/303365954.db2.gz CYQFNZFUEYMHMO-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000414670323 303366304 /nfs/dbraw/zinc/36/63/04/303366304.db2.gz CYQFNZFUEYMHMO-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000414670323 303366305 /nfs/dbraw/zinc/36/63/05/303366305.db2.gz CYQFNZFUEYMHMO-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262646460 303481216 /nfs/dbraw/zinc/48/12/16/303481216.db2.gz OMFUJXSGWCGZKU-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)Cn3cccn3)CC2)cc1 ZINC000138263821 310670716 /nfs/dbraw/zinc/67/07/16/310670716.db2.gz AMZTZDHJKOKWPP-QGZVFWFLSA-N 1 3 342.487 2.782 20 0 EFADHO CC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000297404053 310890966 /nfs/dbraw/zinc/89/09/66/310890966.db2.gz KQXIJELPGLTDSG-OAHLLOKOSA-N 1 3 348.491 2.943 20 0 EFADHO CN1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000298756864 311020695 /nfs/dbraw/zinc/02/06/95/311020695.db2.gz OBUZTFDXNXMHRD-UHFFFAOYSA-N 1 3 344.503 2.520 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000298777778 311022762 /nfs/dbraw/zinc/02/27/62/311022762.db2.gz WQRPVSJUQSZLPP-KRWDZBQOSA-N 1 3 329.488 2.744 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2cc1OC ZINC000299068192 311047612 /nfs/dbraw/zinc/04/76/12/311047612.db2.gz VIIOWQFMHRQJPC-CXAGYDPISA-N 1 3 327.428 2.782 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2cc1OC ZINC000299068192 311047614 /nfs/dbraw/zinc/04/76/14/311047614.db2.gz VIIOWQFMHRQJPC-CXAGYDPISA-N 1 3 327.428 2.782 20 0 EFADHO O=C(NCCN1CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000299133806 311054547 /nfs/dbraw/zinc/05/45/47/311054547.db2.gz FZFFEVVROXDMBN-UHFFFAOYSA-N 1 3 343.515 2.891 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000299592498 311100645 /nfs/dbraw/zinc/10/06/45/311100645.db2.gz KMVOQOAQSJSEBG-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000299692698 311111651 /nfs/dbraw/zinc/11/16/51/311111651.db2.gz WRNHFPHFZXOLJL-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000302968545 311208843 /nfs/dbraw/zinc/20/88/43/311208843.db2.gz HQLUUAJSPXKXOE-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000302968545 311208844 /nfs/dbraw/zinc/20/88/44/311208844.db2.gz HQLUUAJSPXKXOE-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000325878372 311243745 /nfs/dbraw/zinc/24/37/45/311243745.db2.gz MOYYUQKQPGZKAM-YSTOQKLRSA-N 1 3 337.552 2.634 20 0 EFADHO N[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000332136207 311460276 /nfs/dbraw/zinc/46/02/76/311460276.db2.gz CXFOYQBYEIKQNY-ZFWWWQNUSA-N 1 3 335.879 2.804 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4ncccc4c3)CC2)C1 ZINC000333106192 311568509 /nfs/dbraw/zinc/56/85/09/311568509.db2.gz FRSPQHRROFJSCJ-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000333275921 311593193 /nfs/dbraw/zinc/59/31/93/311593193.db2.gz GVLOPRZMOLIWIQ-UHFFFAOYSA-N 1 3 342.487 2.861 20 0 EFADHO [NH3+][C@H]1CCC[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333835433 311665340 /nfs/dbraw/zinc/66/53/40/311665340.db2.gz UEMFTNDVUGVBGU-IRXDYDNUSA-N 1 3 336.524 2.602 20 0 EFADHO O=C(NCCCCC[NH2+][C@H]1CCCNCC1)OCc1ccccc1 ZINC000397748722 311961319 /nfs/dbraw/zinc/96/13/19/311961319.db2.gz AIGORSBYGWKNAS-SFHVURJKSA-N 1 3 333.476 2.815 20 0 EFADHO N[C@H]1CCC[C@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)C1 ZINC000397821405 311961353 /nfs/dbraw/zinc/96/13/53/311961353.db2.gz DZEPZXGMSVBPHM-ROUUACIJSA-N 1 3 333.476 2.943 20 0 EFADHO CSc1cc2c(cc1CN1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCO2 ZINC000414774077 312051983 /nfs/dbraw/zinc/05/19/83/312051983.db2.gz XZYDABDVTUFPTP-OKILXGFUSA-N 1 3 334.485 2.611 20 0 EFADHO CC(C)COc1cccc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776382 312052756 /nfs/dbraw/zinc/05/27/56/312052756.db2.gz HFOYDVATZZKIOP-SFHVURJKSA-N 1 3 332.488 2.909 20 0 EFADHO COc1cc(-c2ccccc2)ccc1CNCCCN1CC[NH2+]CC1 ZINC000414776521 312052882 /nfs/dbraw/zinc/05/28/82/312052882.db2.gz FLMYNIMFYXYLBM-UHFFFAOYSA-N 1 3 339.483 2.747 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414804245 312053629 /nfs/dbraw/zinc/05/36/29/312053629.db2.gz OLPLPZQRUUDQDT-QWHCGFSZSA-N 1 3 332.366 2.853 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000414821740 312053935 /nfs/dbraw/zinc/05/39/35/312053935.db2.gz BYECSAWBPAJKMR-CABCVRRESA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCNC1 ZINC000414821740 312053937 /nfs/dbraw/zinc/05/39/37/312053937.db2.gz BYECSAWBPAJKMR-CABCVRRESA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414839938 312056997 /nfs/dbraw/zinc/05/69/97/312056997.db2.gz LWUOBNWFEIGXTJ-VQIMIIECSA-N 1 3 331.504 2.621 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H](N)c2ccccc2)CC1 ZINC000414840482 312057160 /nfs/dbraw/zinc/05/71/60/312057160.db2.gz XDJNFMABOPUVKE-HXUWFJFHSA-N 1 3 338.499 2.618 20 0 EFADHO CC(C)C[C@H](CN)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000414842279 312057297 /nfs/dbraw/zinc/05/72/97/312057297.db2.gz OGCYWQRWWVLZOH-GFCCVEGCSA-N 1 3 325.254 2.560 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000414898905 312059648 /nfs/dbraw/zinc/05/96/48/312059648.db2.gz AWGAHGDRRKMRFY-GDBMZVCRSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414940961 312067972 /nfs/dbraw/zinc/06/79/72/312067972.db2.gz CDAPODXLMOMHKK-IJEWVQPXSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414940961 312067973 /nfs/dbraw/zinc/06/79/73/312067973.db2.gz CDAPODXLMOMHKK-IJEWVQPXSA-N 1 3 337.895 2.807 20 0 EFADHO COCC1(CNCc2nc(-c3ccccc3)cs2)CC[NH2+]CC1 ZINC000414979441 312070357 /nfs/dbraw/zinc/07/03/57/312070357.db2.gz VCGFETZTDAPCOU-UHFFFAOYSA-N 1 3 331.485 2.916 20 0 EFADHO COCC1(CNCc2sc(C)cc2Br)CC[NH2+]CC1 ZINC000414979844 312070480 /nfs/dbraw/zinc/07/04/80/312070480.db2.gz VOULFWCLHBNOKN-UHFFFAOYSA-N 1 3 347.322 2.925 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000414982628 312071060 /nfs/dbraw/zinc/07/10/60/312071060.db2.gz ZKOAJNFWMHQOAP-SJORKVTESA-N 1 3 344.503 2.929 20 0 EFADHO FC(F)(F)[C@H](CNCc1csc2ccccc12)N1CC[NH2+]CC1 ZINC000414984888 312071437 /nfs/dbraw/zinc/07/14/37/312071437.db2.gz MJBQJUUPBFTTPK-HNNXBMFYSA-N 1 3 343.418 2.827 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997226 312074458 /nfs/dbraw/zinc/07/44/58/312074458.db2.gz YJHYNAQLUJVZOZ-WFASDCNBSA-N 1 3 349.828 2.697 20 0 EFADHO Cc1nn(-c2cccc(F)c2)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415000317 312074855 /nfs/dbraw/zinc/07/48/55/312074855.db2.gz ARKQRCVSDLSANX-RBUKOAKNSA-N 1 3 328.435 2.798 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)CCCC[NH3+] ZINC000415012184 312077370 /nfs/dbraw/zinc/07/73/70/312077370.db2.gz IXQYBLCEOOWKFA-GFCCVEGCSA-N 1 3 332.897 2.741 20 0 EFADHO C[C@@H](CCC[NH3+])NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000415016286 312078024 /nfs/dbraw/zinc/07/80/24/312078024.db2.gz CFWDKTVNXKRVOQ-JTQLQIEISA-N 1 3 328.247 2.791 20 0 EFADHO COc1cc(Br)c(CN[C@H](C)CCCC[NH3+])cc1O ZINC000415017510 312078158 /nfs/dbraw/zinc/07/81/58/312078158.db2.gz SDGNUPCWYKVKQR-SNVBAGLBSA-N 1 3 331.254 2.770 20 0 EFADHO [NH3+]C[C@H]1CC[C@@H](NCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000415027233 312079371 /nfs/dbraw/zinc/07/93/71/312079371.db2.gz ARICIDVSTHHUGE-WDEREUQCSA-N 1 3 340.258 2.791 20 0 EFADHO FC(F)(F)c1cccc(CCCCNC[C@H]2C[NH2+]CCCO2)c1 ZINC000415044024 312082436 /nfs/dbraw/zinc/08/24/36/312082436.db2.gz RWULEXGSEBWJBB-INIZCTEOSA-N 1 3 330.394 2.996 20 0 EFADHO FC(F)(F)c1cccc(CCCCNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000415044025 312082570 /nfs/dbraw/zinc/08/25/70/312082570.db2.gz RWULEXGSEBWJBB-MRXNPFEDSA-N 1 3 330.394 2.996 20 0 EFADHO C[C@@H](C[NH2+]C[C@H]1CNCCCO1)c1cccc(Br)c1 ZINC000415046192 312083014 /nfs/dbraw/zinc/08/30/14/312083014.db2.gz UMXBZHNVBTUEJT-SWLSCSKDSA-N 1 3 327.266 2.521 20 0 EFADHO C[C@H](C[NH2+]C[C@H]1CNCCCO1)c1cccc(Br)c1 ZINC000415046191 312083019 /nfs/dbraw/zinc/08/30/19/312083019.db2.gz UMXBZHNVBTUEJT-IUODEOHRSA-N 1 3 327.266 2.521 20 0 EFADHO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415049448 312083933 /nfs/dbraw/zinc/08/39/33/312083933.db2.gz YCVIAZQXNRGQPR-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H](CCc1cccc(C(F)(F)F)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415049448 312083935 /nfs/dbraw/zinc/08/39/35/312083935.db2.gz YCVIAZQXNRGQPR-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO COc1cc(CN[C@H](CCC[NH3+])c2ccccc2)cc(OC)c1O ZINC000415060646 312086112 /nfs/dbraw/zinc/08/61/12/312086112.db2.gz XDIOTIKXSIWTDA-MRXNPFEDSA-N 1 3 330.428 2.979 20 0 EFADHO COc1cc(CN[C@@H](CCC[NH3+])c2ccccc2)cc(OC)c1O ZINC000415060645 312086198 /nfs/dbraw/zinc/08/61/98/312086198.db2.gz XDIOTIKXSIWTDA-INIZCTEOSA-N 1 3 330.428 2.979 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)c(OC)c1 ZINC000415065327 312087088 /nfs/dbraw/zinc/08/70/88/312087088.db2.gz MOYUVLLPZNZZPZ-CXAGYDPISA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc([C@H](CNC[C@@]2(C)CC[NH2+]C2)N2CCCCC2)cc1 ZINC000415082399 312090001 /nfs/dbraw/zinc/09/00/01/312090001.db2.gz LRGAWFIDVLRNHC-PMACEKPBSA-N 1 3 331.504 2.811 20 0 EFADHO Fc1ccc(CN2CCC[C@@H](NC3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415083538 312090498 /nfs/dbraw/zinc/09/04/98/312090498.db2.gz NPKCVHJWBRKMMW-MRXNPFEDSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(CN2CCC[C@@H]([NH2+]C3CCNCC3)C2)c(Cl)c1 ZINC000415083538 312090500 /nfs/dbraw/zinc/09/05/00/312090500.db2.gz NPKCVHJWBRKMMW-MRXNPFEDSA-N 1 3 325.859 2.785 20 0 EFADHO CC(C)([NH3+])CNC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415104903 312094698 /nfs/dbraw/zinc/09/46/98/312094698.db2.gz LTCHQJDMXWFZND-UHFFFAOYSA-N 1 3 329.410 2.997 20 0 EFADHO CC(C)(N)C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415104903 312094699 /nfs/dbraw/zinc/09/46/99/312094699.db2.gz LTCHQJDMXWFZND-UHFFFAOYSA-N 1 3 329.410 2.997 20 0 EFADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415108377 312095625 /nfs/dbraw/zinc/09/56/25/312095625.db2.gz QAWAIWZWMQSLSA-VGWMRTNUSA-N 1 3 325.497 2.781 20 0 EFADHO COc1ccccc1/C=C\CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415118768 312097442 /nfs/dbraw/zinc/09/74/42/312097442.db2.gz DZDDHXJLJSFLJQ-PMMYZGHPSA-N 1 3 330.472 2.927 20 0 EFADHO COc1ccccc1/C=C/CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415118763 312097711 /nfs/dbraw/zinc/09/77/11/312097711.db2.gz DZDDHXJLJSFLJQ-NKVQNLSVSA-N 1 3 330.472 2.927 20 0 EFADHO CC(C)COc1cccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415125027 312098549 /nfs/dbraw/zinc/09/85/49/312098549.db2.gz KZFKXNTUGLOSNH-SFHVURJKSA-N 1 3 343.475 2.609 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415131012 312099861 /nfs/dbraw/zinc/09/98/61/312099861.db2.gz YHSLVEHORRPGBX-QUCCMNQESA-N 1 3 332.488 2.976 20 0 EFADHO COc1ccccc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415136861 312101500 /nfs/dbraw/zinc/10/15/00/312101500.db2.gz SOGOTUNPAKEARU-UHFFFAOYSA-N 1 3 339.483 2.778 20 0 EFADHO COc1ccc(-c2ccccc2)cc1CN1CCC(O)(C[NH3+])CC1 ZINC000415140122 312102141 /nfs/dbraw/zinc/10/21/41/312102141.db2.gz JPEFGKGZHRHTPU-UHFFFAOYSA-N 1 3 326.440 2.648 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415198546 312112725 /nfs/dbraw/zinc/11/27/25/312112725.db2.gz CJDSQYRCIXTQCY-OAHLLOKOSA-N 1 3 336.480 2.574 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415200447 312113090 /nfs/dbraw/zinc/11/30/90/312113090.db2.gz FKHOHOLASZIDJT-HOTGVXAUSA-N 1 3 348.491 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415204687 312113605 /nfs/dbraw/zinc/11/36/05/312113605.db2.gz OLHCUPFIIAISLL-HOTGVXAUSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000415204932 312113905 /nfs/dbraw/zinc/11/39/05/312113905.db2.gz PKFMUOGPTGYPDC-INIZCTEOSA-N 1 3 348.491 2.589 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415212018 312114520 /nfs/dbraw/zinc/11/45/20/312114520.db2.gz YOPQIVVHIQODNU-WBVHZDCISA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H](C)CCCC[NH3+])c(OCCN(C)C)c1 ZINC000415210765 312114640 /nfs/dbraw/zinc/11/46/40/312114640.db2.gz XPAUWVNBMIYTCL-HNNXBMFYSA-N 1 3 336.480 2.574 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879706 312178703 /nfs/dbraw/zinc/17/87/03/312178703.db2.gz BYLFJAQGBHWICO-GOSISDBHSA-N 1 3 330.476 2.670 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879706 312178706 /nfs/dbraw/zinc/17/87/06/312178706.db2.gz BYLFJAQGBHWICO-GOSISDBHSA-N 1 3 330.476 2.670 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000415887393 312179793 /nfs/dbraw/zinc/17/97/93/312179793.db2.gz XKOAKBSDABIHMN-RDTXWAMCSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@H]1C ZINC000415887393 312179794 /nfs/dbraw/zinc/17/97/94/312179794.db2.gz XKOAKBSDABIHMN-RDTXWAMCSA-N 1 3 330.476 2.669 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415914174 312180974 /nfs/dbraw/zinc/18/09/74/312180974.db2.gz VBBZJNOMMLGWPH-QFBILLFUSA-N 1 3 342.487 2.887 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415914174 312180975 /nfs/dbraw/zinc/18/09/75/312180975.db2.gz VBBZJNOMMLGWPH-QFBILLFUSA-N 1 3 342.487 2.887 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415961430 312185833 /nfs/dbraw/zinc/18/58/33/312185833.db2.gz ROLHMKQJIOAHPM-BEFAXECRSA-N 1 3 338.455 2.930 20 0 EFADHO CCN1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415970951 312187648 /nfs/dbraw/zinc/18/76/48/312187648.db2.gz MCXOWTDWERIKAG-UHFFFAOYSA-N 1 3 344.381 2.724 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CNCCO2)C(C)(C)C ZINC000415971920 312188332 /nfs/dbraw/zinc/18/83/32/312188332.db2.gz KJKWUURXJWHNNS-QGZVFWFLSA-N 1 3 348.491 2.657 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415978362 312189170 /nfs/dbraw/zinc/18/91/70/312189170.db2.gz XOJJBXAIDXSIBP-SNVBAGLBSA-N 1 3 332.370 2.626 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000417481455 312229020 /nfs/dbraw/zinc/22/90/20/312229020.db2.gz HMIBPBZLHCERMX-SFHVURJKSA-N 1 3 332.492 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H](N)c1ccc(C(C)C)cc1)C1CC1 ZINC000417481455 312229023 /nfs/dbraw/zinc/22/90/23/312229023.db2.gz HMIBPBZLHCERMX-SFHVURJKSA-N 1 3 332.492 2.593 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000417576868 312243006 /nfs/dbraw/zinc/24/30/06/312243006.db2.gz IIOXFFVVHGNWNS-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000417630454 312249460 /nfs/dbraw/zinc/24/94/60/312249460.db2.gz RADHJTJWMVUQEZ-XYJFISCASA-N 1 3 346.519 2.742 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417635834 312250587 /nfs/dbraw/zinc/25/05/87/312250587.db2.gz WXGRXVFDKRDTGD-LZLYRXPVSA-N 1 3 346.519 2.933 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000417635705 312250666 /nfs/dbraw/zinc/25/06/66/312250666.db2.gz WSTKBRIFZWOIHV-INIZCTEOSA-N 1 3 344.503 2.725 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417654097 312253151 /nfs/dbraw/zinc/25/31/51/312253151.db2.gz RLQISQBELRMRQJ-MOPGFXCFSA-N 1 3 346.519 2.666 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417692582 312257607 /nfs/dbraw/zinc/25/76/07/312257607.db2.gz OLXBWURNPUWCNS-HZPDHXFCSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417696950 312258294 /nfs/dbraw/zinc/25/82/94/312258294.db2.gz CRMJUBKIZOANEE-SOLBZPMBSA-N 1 3 346.519 2.885 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417696570 312258307 /nfs/dbraw/zinc/25/83/07/312258307.db2.gz HDOLJGPCGVSZER-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000417697939 312258414 /nfs/dbraw/zinc/25/84/14/312258414.db2.gz XCFGQSALRGMWCM-BRWVUGGUSA-N 1 3 344.503 2.591 20 0 EFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417698629 312258666 /nfs/dbraw/zinc/25/86/66/312258666.db2.gz GTQRGBHWIJDGGH-IAGOWNOFSA-N 1 3 346.519 2.757 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417704560 312259259 /nfs/dbraw/zinc/25/92/59/312259259.db2.gz LGDQMWKVDJVZKV-APWZRJJASA-N 1 3 344.503 2.565 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417704560 312259260 /nfs/dbraw/zinc/25/92/60/312259260.db2.gz LGDQMWKVDJVZKV-APWZRJJASA-N 1 3 344.503 2.565 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NCc1ccc2c(c1)CNC2)C(C)C ZINC000417803704 312271435 /nfs/dbraw/zinc/27/14/35/312271435.db2.gz WYBJWUOPAONFFL-UHFFFAOYSA-N 1 3 332.492 2.598 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH3+] ZINC000417817291 312274435 /nfs/dbraw/zinc/27/44/35/312274435.db2.gz DLMMIOYWWWVWEM-FUHWJXTLSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)(C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@H](N)c1ccccc1 ZINC000417823761 312276146 /nfs/dbraw/zinc/27/61/46/312276146.db2.gz KCIMUUNCEFALKY-QGZVFWFLSA-N 1 3 329.488 2.705 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417826720 312276736 /nfs/dbraw/zinc/27/67/36/312276736.db2.gz CNERSVCJTKNVJP-QXAKKESOSA-N 1 3 346.519 2.856 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417830009 312277312 /nfs/dbraw/zinc/27/73/12/312277312.db2.gz RJKBFASVGFIGNK-LMMKCTJWSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417830011 312277470 /nfs/dbraw/zinc/27/74/70/312277470.db2.gz RJKBFASVGFIGNK-SCTDSRPQSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H](N)c1ccccc1 ZINC000417836453 312278453 /nfs/dbraw/zinc/27/84/53/312278453.db2.gz OUJUQXMHBIKRLX-SNRMKQJTSA-N 1 3 325.456 2.919 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417836913 312278849 /nfs/dbraw/zinc/27/88/49/312278849.db2.gz LVJNLMPBUBSZEF-WMZOPIPTSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417843617 312280098 /nfs/dbraw/zinc/28/00/98/312280098.db2.gz QQGRZLLWFZUPJC-NZSAHSFTSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCCN1C ZINC000418011323 312308851 /nfs/dbraw/zinc/30/88/51/312308851.db2.gz WUGJNWZYUFYTLV-CCKFTAQKSA-N 1 3 340.471 2.622 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418029862 312312211 /nfs/dbraw/zinc/31/22/11/312312211.db2.gz ITKCSHSEWNXJCJ-UYAOXDASSA-N 1 3 346.519 2.523 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000418095581 312324859 /nfs/dbraw/zinc/32/48/59/312324859.db2.gz GTRVWAQVVJCWNJ-GOSISDBHSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000418159631 312336744 /nfs/dbraw/zinc/33/67/44/312336744.db2.gz AMTLEEUBZFUCBF-SJLPKXTDSA-N 1 3 346.519 2.947 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000418164287 312337971 /nfs/dbraw/zinc/33/79/71/312337971.db2.gz ICGCRPPBUXHMEU-XHSDSOJGSA-N 1 3 338.496 2.724 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000418174507 312339993 /nfs/dbraw/zinc/33/99/93/312339993.db2.gz FDCSLOKUDWNKIR-MMIPBJDJSA-N 1 3 332.492 2.555 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000418175980 312340299 /nfs/dbraw/zinc/34/02/99/312340299.db2.gz GMHWEFHYLPQYPT-LPHOPBHVSA-N 1 3 346.519 2.709 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418175963 312340333 /nfs/dbraw/zinc/34/03/33/312340333.db2.gz GLEWWABQEYIBAJ-LMMKCTJWSA-N 1 3 346.519 2.770 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418182957 312341733 /nfs/dbraw/zinc/34/17/33/312341733.db2.gz NNRRUNUZNQVTGC-WBVHZDCISA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000418187091 312342301 /nfs/dbraw/zinc/34/23/01/312342301.db2.gz SOZBPVAEMHNMIU-ISARSNTHSA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000418187089 312342395 /nfs/dbraw/zinc/34/23/95/312342395.db2.gz SOZBPVAEMHNMIU-DKKFBQAASA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1)N(C)C ZINC000418186470 312342553 /nfs/dbraw/zinc/34/25/53/312342553.db2.gz RZKLMEVVAZZGSA-AOIWGVFYSA-N 1 3 346.519 2.818 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)N(C)C ZINC000418189796 312343257 /nfs/dbraw/zinc/34/32/57/312343257.db2.gz VRUZZXWMSSAFOF-WMEZAQDKSA-N 1 3 346.519 2.613 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCC[NH3+])N(C)C)cc1 ZINC000418190859 312343480 /nfs/dbraw/zinc/34/34/80/312343480.db2.gz JVVAUOGUQVZQRD-LPHOPBHVSA-N 1 3 348.535 2.914 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)N(C)C)cc1 ZINC000418190792 312343604 /nfs/dbraw/zinc/34/36/04/312343604.db2.gz JNDJLOIXQAUWJI-LJQANCHMSA-N 1 3 346.519 2.539 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418193353 312344301 /nfs/dbraw/zinc/34/43/01/312344301.db2.gz ZLBDXSGTADQHPP-BMFAXAFESA-N 1 3 346.519 2.674 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1)N(C)C ZINC000418192854 312344339 /nfs/dbraw/zinc/34/43/39/312344339.db2.gz ZATLEZUEFGUVQP-LMMKCTJWSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000418196239 312345109 /nfs/dbraw/zinc/34/51/09/312345109.db2.gz HFSGZMSXWBFOKT-YJBOKZPZSA-N 1 3 334.508 2.838 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000418196239 312345110 /nfs/dbraw/zinc/34/51/10/312345110.db2.gz HFSGZMSXWBFOKT-YJBOKZPZSA-N 1 3 334.508 2.838 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)N(CC)CC)cc1 ZINC000418217990 312348722 /nfs/dbraw/zinc/34/87/22/312348722.db2.gz PUWBYFXPFJAMSW-MOPGFXCFSA-N 1 3 346.519 2.765 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)CC1 ZINC000418234086 312351464 /nfs/dbraw/zinc/35/14/64/312351464.db2.gz IAAYXHQGXDAIMA-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO NC[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc2ccccc2c1 ZINC000418294083 312357881 /nfs/dbraw/zinc/35/78/81/312357881.db2.gz GPYMELICXWHGPT-SFHVURJKSA-N 1 3 340.471 2.800 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420343293 312362276 /nfs/dbraw/zinc/36/22/76/312362276.db2.gz QMXQWVQATBXCNT-IHPCNDPISA-N 1 3 343.515 2.802 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000420344424 312362996 /nfs/dbraw/zinc/36/29/96/312362996.db2.gz SVZGHNUUYGNPHK-USXIJHARSA-N 1 3 349.906 2.839 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344086 312363157 /nfs/dbraw/zinc/36/31/57/312363157.db2.gz RZBGDXAPMRRKPA-VDGAXYAQSA-N 1 3 343.515 2.748 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCc3cccc(OC)c3CC2)cc1 ZINC000420354240 312363456 /nfs/dbraw/zinc/36/34/56/312363456.db2.gz CPLDQVJVPDOITN-SFHVURJKSA-N 1 3 340.467 2.847 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCc3cccc(OC)c3CC2)cc1 ZINC000420354240 312363458 /nfs/dbraw/zinc/36/34/58/312363458.db2.gz CPLDQVJVPDOITN-SFHVURJKSA-N 1 3 340.467 2.847 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000420356281 312364139 /nfs/dbraw/zinc/36/41/39/312364139.db2.gz FXAXTJVFLNVHBC-AWEZNQCLSA-N 1 3 327.266 2.806 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000420766524 312385996 /nfs/dbraw/zinc/38/59/96/312385996.db2.gz SEARQHXVLOGKED-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000420766524 312385997 /nfs/dbraw/zinc/38/59/97/312385997.db2.gz SEARQHXVLOGKED-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000420774845 312387820 /nfs/dbraw/zinc/38/78/20/312387820.db2.gz SSVLGBFURPGCAH-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423107948 312411437 /nfs/dbraw/zinc/41/14/37/312411437.db2.gz QITUGMMDNOSUBJ-OXJNMPFZSA-N 1 3 331.504 2.780 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423385300 312418531 /nfs/dbraw/zinc/41/85/31/312418531.db2.gz KKROAOVBFWYCIM-LSDHHAIUSA-N 1 3 347.812 2.753 20 0 EFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423389025 312418981 /nfs/dbraw/zinc/41/89/81/312418981.db2.gz NGLUZMNYPKBFSL-KOLCDFICSA-N 1 3 341.830 2.888 20 0 EFADHO C[C@H](NCCC1=CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423544513 312432197 /nfs/dbraw/zinc/43/21/97/312432197.db2.gz WXEZMXGYHWSULA-JTQLQIEISA-N 1 3 328.229 2.944 20 0 EFADHO NC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc2ccccc2c1 ZINC000423607776 312437891 /nfs/dbraw/zinc/43/78/91/312437891.db2.gz LEOMAZAFJAVEDI-FQEVSTJZSA-N 1 3 337.467 2.830 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CCC1CC[NH2+]CC1 ZINC000423744553 312447384 /nfs/dbraw/zinc/44/73/84/312447384.db2.gz LNVBCYYFWKWNAK-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1(C)C ZINC000423777400 312451934 /nfs/dbraw/zinc/45/19/34/312451934.db2.gz BYFBJYCXBUCBQB-QFBILLFUSA-N 1 3 333.476 2.528 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000423835373 312466575 /nfs/dbraw/zinc/46/65/75/312466575.db2.gz DLCZCQPOMKDUTN-QGZVFWFLSA-N 1 3 344.503 2.545 20 0 EFADHO CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](N)C(C)(C)C)c2)CC1 ZINC000423856096 312472515 /nfs/dbraw/zinc/47/25/15/312472515.db2.gz XDBNTZCMWFWZBM-QGZVFWFLSA-N 1 3 332.492 2.529 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H](N)c1ccccc1 ZINC000424045425 312502712 /nfs/dbraw/zinc/50/27/12/312502712.db2.gz UDQZVHXRJGVUTP-ZWKOTPCHSA-N 1 3 343.515 2.949 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000453150100 312871897 /nfs/dbraw/zinc/87/18/97/312871897.db2.gz ULMOIGOJHCYFIV-IBGZPJMESA-N 1 3 329.488 2.646 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CCN(C4CC4)CC3)ccc21 ZINC000455856136 312992986 /nfs/dbraw/zinc/99/29/86/312992986.db2.gz HEPTUMUXCUJUEJ-LJQANCHMSA-N 1 3 342.487 2.984 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458228747 313088829 /nfs/dbraw/zinc/08/88/29/313088829.db2.gz DYPYWYGQJNQSKA-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458228747 313088833 /nfs/dbraw/zinc/08/88/33/313088833.db2.gz DYPYWYGQJNQSKA-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCCN2C2CCOCC2)ccc1C[NH+](C)C ZINC000458265158 313098841 /nfs/dbraw/zinc/09/88/41/313098841.db2.gz CIOLBGSQTMVEGE-LJQANCHMSA-N 1 3 345.487 2.639 20 0 EFADHO Cc1cc(F)c(CNC2CC[NH+](CCN(C)C)CC2)c(Cl)c1 ZINC000459375270 313103267 /nfs/dbraw/zinc/10/32/67/313103267.db2.gz YSVCLUVEVMBCEW-UHFFFAOYSA-N 1 3 327.875 2.903 20 0 EFADHO Cc1cc(F)c(CNC2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000459375270 313103268 /nfs/dbraw/zinc/10/32/68/313103268.db2.gz YSVCLUVEVMBCEW-UHFFFAOYSA-N 1 3 327.875 2.903 20 0 EFADHO Cn1cc(CC[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cn1 ZINC000471866111 313168513 /nfs/dbraw/zinc/16/85/13/313168513.db2.gz QAOFIJBCDXPEDD-VQTJNVASSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CC[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cn1 ZINC000471866111 313168515 /nfs/dbraw/zinc/16/85/15/313168515.db2.gz QAOFIJBCDXPEDD-VQTJNVASSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CCN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471866111 313168518 /nfs/dbraw/zinc/16/85/18/313168518.db2.gz QAOFIJBCDXPEDD-VQTJNVASSA-N 1 3 326.488 2.635 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475034988 313215069 /nfs/dbraw/zinc/21/50/69/313215069.db2.gz XBFRRCOXSAEJLM-ZIFCJYIRSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475034988 313215071 /nfs/dbraw/zinc/21/50/71/313215071.db2.gz XBFRRCOXSAEJLM-ZIFCJYIRSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475043008 313215228 /nfs/dbraw/zinc/21/52/28/313215228.db2.gz RWXHCDHXRAUHHE-RTBURBONSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475043008 313215230 /nfs/dbraw/zinc/21/52/30/313215230.db2.gz RWXHCDHXRAUHHE-RTBURBONSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@@H]1C ZINC000479306968 313265052 /nfs/dbraw/zinc/26/50/52/313265052.db2.gz DJAFULKWEQIQTH-IIQAOJFUSA-N 1 3 336.524 2.516 20 0 EFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@@H]1C ZINC000479306968 313265053 /nfs/dbraw/zinc/26/50/53/313265053.db2.gz DJAFULKWEQIQTH-IIQAOJFUSA-N 1 3 336.524 2.516 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000481006040 313286675 /nfs/dbraw/zinc/28/66/75/313286675.db2.gz XBJVPZDJEUVEAP-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000484341379 313319781 /nfs/dbraw/zinc/31/97/81/313319781.db2.gz XVOVXGACMILEHE-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCOc1c(Cl)cccc1C[NH2+]CCCN1CCN(CC)CC1 ZINC000486957072 313351652 /nfs/dbraw/zinc/35/16/52/313351652.db2.gz KVAHPRMFMVDSNZ-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO COC(=O)N1CCC([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000492549913 314034365 /nfs/dbraw/zinc/03/43/65/314034365.db2.gz FVVRWXAXEHTHGY-HNNXBMFYSA-N 1 3 337.508 2.850 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccccc3OC2)C[C@@H](C)O1 ZINC000493977575 314526819 /nfs/dbraw/zinc/52/68/19/314526819.db2.gz OQIPXQFJDZBGNX-ZHALLVOQSA-N 1 3 332.488 2.859 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000496459275 315073676 /nfs/dbraw/zinc/07/36/76/315073676.db2.gz KOEJMGKXOBBKQN-MRXNPFEDSA-N 1 3 325.497 2.563 20 0 EFADHO COC(=O)N1CCC([C@H](C)N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000496480498 315082525 /nfs/dbraw/zinc/08/25/25/315082525.db2.gz LADMKLUUBGPJKU-ZOBUZTSGSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]C1CCN(C2CCCC2)CC1 ZINC000496526138 315099163 /nfs/dbraw/zinc/09/91/63/315099163.db2.gz BCSWIUJCNHQIHZ-PIIMJCKOSA-N 1 3 349.519 2.848 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000496526138 315099165 /nfs/dbraw/zinc/09/91/65/315099165.db2.gz BCSWIUJCNHQIHZ-PIIMJCKOSA-N 1 3 349.519 2.848 20 0 EFADHO CC[C@H](NC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542145 315103783 /nfs/dbraw/zinc/10/37/83/315103783.db2.gz HWRCMMSBBLPDCJ-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@H]([NH2+]C[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542145 315103785 /nfs/dbraw/zinc/10/37/85/315103785.db2.gz HWRCMMSBBLPDCJ-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO CCN1CCC[C@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000496566265 315113498 /nfs/dbraw/zinc/11/34/98/315113498.db2.gz CVIBKUNMLMYIQE-OAHLLOKOSA-N 1 3 325.497 2.613 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000496648914 315143900 /nfs/dbraw/zinc/14/39/00/315143900.db2.gz ZJDRLBADWAXCIH-INIZCTEOSA-N 1 3 325.497 2.565 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000496648914 315143902 /nfs/dbraw/zinc/14/39/02/315143902.db2.gz ZJDRLBADWAXCIH-INIZCTEOSA-N 1 3 325.497 2.565 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496715004 315168649 /nfs/dbraw/zinc/16/86/49/315168649.db2.gz BUIBLXWSZSMDIP-YJBOKZPZSA-N 1 3 325.497 2.563 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000496793019 315197729 /nfs/dbraw/zinc/19/77/29/315197729.db2.gz KSYZYLQXGWGHTN-ARFHVFGLSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000496793019 315197732 /nfs/dbraw/zinc/19/77/32/315197732.db2.gz KSYZYLQXGWGHTN-ARFHVFGLSA-N 1 3 327.513 2.952 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496855635 315221204 /nfs/dbraw/zinc/22/12/04/315221204.db2.gz QAUHFISZFAYTFB-VQIMIIECSA-N 1 3 337.508 2.517 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000496900340 315236521 /nfs/dbraw/zinc/23/65/21/315236521.db2.gz GMGHLBQVVIZXOD-HZPDHXFCSA-N 1 3 337.508 2.707 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000496900340 315236523 /nfs/dbraw/zinc/23/65/23/315236523.db2.gz GMGHLBQVVIZXOD-HZPDHXFCSA-N 1 3 337.508 2.707 20 0 EFADHO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)CC(C)C ZINC000497126756 315319143 /nfs/dbraw/zinc/31/91/43/315319143.db2.gz HQDWSEUFEIFQCG-BBRMVZONSA-N 1 3 336.480 2.660 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1 ZINC000497282730 315378253 /nfs/dbraw/zinc/37/82/53/315378253.db2.gz MHHXEKLIMNIKLJ-IKGGRYGDSA-N 1 3 331.460 2.770 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000497550486 315393717 /nfs/dbraw/zinc/39/37/17/315393717.db2.gz QGMPJNCRIWHHOE-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](CCC)CC1 ZINC000498120276 315399160 /nfs/dbraw/zinc/39/91/60/315399160.db2.gz BEXWXQLRFYJORL-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508894694 315496232 /nfs/dbraw/zinc/49/62/32/315496232.db2.gz GFWWNTCBAVERDU-IEBWSBKVSA-N 1 3 348.535 2.969 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000514724899 315557269 /nfs/dbraw/zinc/55/72/69/315557269.db2.gz HYSRNNDHZGQNEN-HKUYNNGSSA-N 1 3 331.504 2.964 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517731298 315777691 /nfs/dbraw/zinc/77/76/91/315777691.db2.gz XCFQOVDIJBBTPU-OCBCSQNSSA-N 1 3 331.460 2.692 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521026723 315994132 /nfs/dbraw/zinc/99/41/32/315994132.db2.gz FLCLCVGQUSUWJN-QAPCUYQASA-N 1 3 336.524 2.600 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000521039547 315995354 /nfs/dbraw/zinc/99/53/54/315995354.db2.gz CDEFCHOADHYOIC-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CNCc2ccccc21 ZINC000521431283 316023043 /nfs/dbraw/zinc/02/30/43/316023043.db2.gz NTSSRGDXSJWIKH-FQEVSTJZSA-N 1 3 341.499 2.644 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000521462516 316026323 /nfs/dbraw/zinc/02/63/23/316026323.db2.gz KCRSRCRUELJINK-QLFBSQMISA-N 1 3 338.293 2.887 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000521910992 316052186 /nfs/dbraw/zinc/05/21/86/316052186.db2.gz BXLFPYPYGZLKBR-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000521910992 316052187 /nfs/dbraw/zinc/05/21/87/316052187.db2.gz BXLFPYPYGZLKBR-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000523137466 316113407 /nfs/dbraw/zinc/11/34/07/316113407.db2.gz GWOVMWMOTXRLIQ-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000523137466 316113410 /nfs/dbraw/zinc/11/34/10/316113410.db2.gz GWOVMWMOTXRLIQ-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000524112222 316146709 /nfs/dbraw/zinc/14/67/09/316146709.db2.gz SWWWXCZPPUKRIM-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000524112222 316146712 /nfs/dbraw/zinc/14/67/12/316146712.db2.gz SWWWXCZPPUKRIM-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000525439439 316214504 /nfs/dbraw/zinc/21/45/04/316214504.db2.gz SPAWKWNOZHUPPH-UHFFFAOYSA-N 1 3 348.535 2.619 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000526160471 316300106 /nfs/dbraw/zinc/30/01/06/316300106.db2.gz UUKSESYQEDBVRY-UHFFFAOYSA-N 1 3 343.475 2.639 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528714644 316697909 /nfs/dbraw/zinc/69/79/09/316697909.db2.gz OYDVRABSNVOHII-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)OC)c1 ZINC000530211512 317081596 /nfs/dbraw/zinc/08/15/96/317081596.db2.gz NYONXUSTHRKLHT-DJJJIMSYSA-N 1 3 329.444 2.896 20 0 EFADHO Cn1cc2ccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2n1 ZINC000530216293 317083002 /nfs/dbraw/zinc/08/30/02/317083002.db2.gz AFWFXWMOQFAUQJ-CTNGQTDRSA-N 1 3 348.450 2.919 20 0 EFADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530221313 317084296 /nfs/dbraw/zinc/08/42/96/317084296.db2.gz PBQYHNSUMXXQTG-IPMKNSEASA-N 1 3 345.462 2.905 20 0 EFADHO Cc1cnccc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000530221482 317084363 /nfs/dbraw/zinc/08/43/63/317084363.db2.gz DWZNRIQWQQWVCN-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1cnccc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000530221482 317084365 /nfs/dbraw/zinc/08/43/65/317084365.db2.gz DWZNRIQWQQWVCN-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO c1c(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)onc1-c1ccccc1 ZINC000530243127 317089664 /nfs/dbraw/zinc/08/96/64/317089664.db2.gz WSYKHMUVYBXYAD-GOSISDBHSA-N 1 3 341.455 2.932 20 0 EFADHO CCCN1CCN(c2ccccc2CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530245351 317090563 /nfs/dbraw/zinc/09/05/63/317090563.db2.gz WLSSZVHFDCMQGK-FQEVSTJZSA-N 1 3 342.531 2.593 20 0 EFADHO c1csc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248471 317091352 /nfs/dbraw/zinc/09/13/52/317091352.db2.gz KXABCXDAAXYKNT-MRXNPFEDSA-N 1 3 346.500 2.729 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000530656207 317160772 /nfs/dbraw/zinc/16/07/72/317160772.db2.gz QUDGEUXKYWQULB-IAGOWNOFSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@@H]([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CCCCC1 ZINC000530656208 317161055 /nfs/dbraw/zinc/16/10/55/317161055.db2.gz QUDGEUXKYWQULB-IRXDYDNUSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000530656209 317161180 /nfs/dbraw/zinc/16/11/80/317161180.db2.gz QUDGEUXKYWQULB-SJORKVTESA-N 1 3 340.556 2.726 20 0 EFADHO CCCc1sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc1CC ZINC000531118420 317222056 /nfs/dbraw/zinc/22/20/56/317222056.db2.gz ISZPCQOVCZQIJW-UHFFFAOYSA-N 1 3 339.549 2.828 20 0 EFADHO CC[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000531119351 317222134 /nfs/dbraw/zinc/22/21/34/317222134.db2.gz DZMFLPPQYDWJRQ-GOSISDBHSA-N 1 3 333.520 2.831 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531979575 317338628 /nfs/dbraw/zinc/33/86/28/317338628.db2.gz KSLHBNWUFMLXDR-PBHICJAKSA-N 1 3 333.476 2.579 20 0 EFADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)s1 ZINC000532375866 317392366 /nfs/dbraw/zinc/39/23/66/317392366.db2.gz NNQIKGIPXILTAW-UHFFFAOYSA-N 1 3 345.512 2.946 20 0 EFADHO C[C@H](CCc1ccccc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000538307257 317692076 /nfs/dbraw/zinc/69/20/76/317692076.db2.gz JTRYFEJJTUDWLI-HXUWFJFHSA-N 1 3 329.532 2.969 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000539495170 317721462 /nfs/dbraw/zinc/72/14/62/317721462.db2.gz GLMXTWHLIXSMIW-OALUTQOASA-N 1 3 334.504 2.963 20 0 EFADHO Cc1cc2occ(C(=O)N(CCN(C)C)CC[NH+](C)C)c2cc1C ZINC000547785867 318041327 /nfs/dbraw/zinc/04/13/27/318041327.db2.gz ZFMNLMBZGBBBBG-UHFFFAOYSA-N 1 3 331.460 2.615 20 0 EFADHO CN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000548392129 318102408 /nfs/dbraw/zinc/10/24/08/318102408.db2.gz NVYUZCQTHLRLJD-WOJBJXKFSA-N 1 3 343.515 2.855 20 0 EFADHO CN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000548392129 318102410 /nfs/dbraw/zinc/10/24/10/318102410.db2.gz NVYUZCQTHLRLJD-WOJBJXKFSA-N 1 3 343.515 2.855 20 0 EFADHO C[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccn2)C[C@H]1c1ccccc1 ZINC000551015682 318200451 /nfs/dbraw/zinc/20/04/51/318200451.db2.gz YRSQORIVPZDNKD-ROUUACIJSA-N 1 3 338.455 2.835 20 0 EFADHO C[N@H+]1CC[C@H](NCCC(=O)Nc2ccccn2)C[C@H]1c1ccccc1 ZINC000551015682 318200452 /nfs/dbraw/zinc/20/04/52/318200452.db2.gz YRSQORIVPZDNKD-ROUUACIJSA-N 1 3 338.455 2.835 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000552360949 318253428 /nfs/dbraw/zinc/25/34/28/318253428.db2.gz ZZSPDSUSAHDEEF-KURKYZTESA-N 1 3 346.519 2.623 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CCCC[NH+](C)C)c(C)c2)CC1 ZINC000552363529 318253692 /nfs/dbraw/zinc/25/36/92/318253692.db2.gz VVLGYBCPPXOKFN-UHFFFAOYSA-N 1 3 346.519 2.807 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000552371276 318253897 /nfs/dbraw/zinc/25/38/97/318253897.db2.gz XLZUNOBVCJCMGN-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC000553072075 318269786 /nfs/dbraw/zinc/26/97/86/318269786.db2.gz GCRANPQERMOHMZ-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000553158165 318272811 /nfs/dbraw/zinc/27/28/11/318272811.db2.gz NZBIKGVUODCFDB-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC000553165648 318272966 /nfs/dbraw/zinc/27/29/66/318272966.db2.gz PDULGFBDQIEAIN-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)c3ccco3)CC2)CC1 ZINC000553266087 318277195 /nfs/dbraw/zinc/27/71/95/318277195.db2.gz PAXYVSXXJWICGF-MRXNPFEDSA-N 1 3 347.503 2.995 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000554216299 318303697 /nfs/dbraw/zinc/30/36/97/318303697.db2.gz CQNCXJSNHBOLCI-WMZOPIPTSA-N 1 3 334.508 2.627 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000554217579 318303794 /nfs/dbraw/zinc/30/37/94/318303794.db2.gz CTOZSXVVQDSGPI-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000554257805 318305232 /nfs/dbraw/zinc/30/52/32/318305232.db2.gz YOPVXKUXBGZINX-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000554885601 318338808 /nfs/dbraw/zinc/33/88/08/318338808.db2.gz CIYYFGCHZFIHOV-INIZCTEOSA-N 1 3 343.471 2.839 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556685828 318398824 /nfs/dbraw/zinc/39/88/24/318398824.db2.gz HTEUMXCGKGLQPH-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556685828 318398825 /nfs/dbraw/zinc/39/88/25/318398825.db2.gz HTEUMXCGKGLQPH-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563374813 318776631 /nfs/dbraw/zinc/77/66/31/318776631.db2.gz BDBCDDVPHXOIOV-IAGOWNOFSA-N 1 3 331.504 2.783 20 0 EFADHO C[C@@H]([NH2+]CC(=O)NCCN1CCCCCC1)[C@H](C)c1ccccc1 ZINC000563694029 318810214 /nfs/dbraw/zinc/81/02/14/318810214.db2.gz VTHNLONRGYJYAM-ZWKOTPCHSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c2ccccc12 ZINC000564639512 318876513 /nfs/dbraw/zinc/87/65/13/318876513.db2.gz CNTMWRVIXMXBEM-UHFFFAOYSA-N 1 3 327.472 2.714 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000565489986 318976603 /nfs/dbraw/zinc/97/66/03/318976603.db2.gz FKGJTOVGKMGPIF-CFVMTHIKSA-N 1 3 346.393 2.596 20 0 EFADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000565767950 319000293 /nfs/dbraw/zinc/00/02/93/319000293.db2.gz KEYHJQGBVDBHOQ-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO FC(F)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565827631 319006334 /nfs/dbraw/zinc/00/63/34/319006334.db2.gz QGYQTPNTIUILJF-GVDBMIGSSA-N 1 3 340.414 2.577 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CNCc1cccc(C[NH+](C)C)c1 ZINC000565945573 319016971 /nfs/dbraw/zinc/01/69/71/319016971.db2.gz MKCYKGJQWZIYLS-IBGZPJMESA-N 1 3 328.456 2.586 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000566055920 319026930 /nfs/dbraw/zinc/02/69/30/319026930.db2.gz MJYFQZXBKPYNLD-XUVXKRRUSA-N 1 3 341.499 2.662 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000566245554 319051442 /nfs/dbraw/zinc/05/14/42/319051442.db2.gz NLDRZRVETPJJLU-HXUWFJFHSA-N 1 3 335.455 2.966 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000566296104 319059204 /nfs/dbraw/zinc/05/92/04/319059204.db2.gz PNYPVIXTYGSTAG-GVDBMIGSSA-N 1 3 331.504 2.572 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000566447914 319077612 /nfs/dbraw/zinc/07/76/12/319077612.db2.gz PXTOPVFWZPPQHN-QFBILLFUSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566628210 319096671 /nfs/dbraw/zinc/09/66/71/319096671.db2.gz AVCVMXMJFYWAFT-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000566785216 319110359 /nfs/dbraw/zinc/11/03/59/319110359.db2.gz HPJYORVAPLMUSP-HNNXBMFYSA-N 1 3 339.443 2.883 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000567042807 319133001 /nfs/dbraw/zinc/13/30/01/319133001.db2.gz XJDLVNNSKNKHKH-FQEVSTJZSA-N 1 3 334.504 2.796 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567097258 319137822 /nfs/dbraw/zinc/13/78/22/319137822.db2.gz FCZJSBOHMFBMHF-GOSISDBHSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000567097258 319137824 /nfs/dbraw/zinc/13/78/24/319137824.db2.gz FCZJSBOHMFBMHF-GOSISDBHSA-N 1 3 346.519 2.765 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000567112948 319139901 /nfs/dbraw/zinc/13/99/01/319139901.db2.gz MCGUCTRTZKPHEA-FXAWDEMLSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1Cl)CN1CCCCC1 ZINC000567261781 319155271 /nfs/dbraw/zinc/15/52/71/319155271.db2.gz MPPFGIZKTMDVIU-HZPDHXFCSA-N 1 3 340.895 2.791 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)CN1CCCCC1 ZINC000567261779 319155433 /nfs/dbraw/zinc/15/54/33/319155433.db2.gz MPPFGIZKTMDVIU-CVEARBPZSA-N 1 3 340.895 2.791 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1Cl)CN1CCCCC1 ZINC000567261780 319155487 /nfs/dbraw/zinc/15/54/87/319155487.db2.gz MPPFGIZKTMDVIU-HOTGVXAUSA-N 1 3 340.895 2.791 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000567343996 319162014 /nfs/dbraw/zinc/16/20/14/319162014.db2.gz MZYIMKFDEGDOPK-ZIFCJYIRSA-N 1 3 340.446 2.882 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc4c(n3)CCC4)CC2)CC1 ZINC000567604175 319187687 /nfs/dbraw/zinc/18/76/87/319187687.db2.gz QUKSZJPQRVMSHB-UHFFFAOYSA-N 1 3 342.531 2.562 20 0 EFADHO CCc1nc2cc(CN[C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000567639779 319191331 /nfs/dbraw/zinc/19/13/31/319191331.db2.gz WCIWDWBHBAQPQJ-XOKHGSTOSA-N 1 3 342.487 2.776 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cccs2)o1 ZINC000567643848 319192040 /nfs/dbraw/zinc/19/20/40/319192040.db2.gz HPLBUPQMLXVOLT-UHFFFAOYSA-N 1 3 335.473 2.574 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680812 319195936 /nfs/dbraw/zinc/19/59/36/319195936.db2.gz GAAHFHVHNLGJFS-FUHWJXTLSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680812 319195939 /nfs/dbraw/zinc/19/59/39/319195939.db2.gz GAAHFHVHNLGJFS-FUHWJXTLSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680812 319195942 /nfs/dbraw/zinc/19/59/42/319195942.db2.gz GAAHFHVHNLGJFS-FUHWJXTLSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@H](CCNCCC(=O)Nc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000567726008 319203950 /nfs/dbraw/zinc/20/39/50/319203950.db2.gz UMGYFFHVRVADDH-QGZVFWFLSA-N 1 3 340.471 2.910 20 0 EFADHO C[C@H](CCNCCC(=O)Nc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000567726008 319203952 /nfs/dbraw/zinc/20/39/52/319203952.db2.gz UMGYFFHVRVADDH-QGZVFWFLSA-N 1 3 340.471 2.910 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000567847715 319217576 /nfs/dbraw/zinc/21/75/76/319217576.db2.gz YFKRLUNINWJGIK-SJLPKXTDSA-N 1 3 329.488 2.918 20 0 EFADHO CC(C)c1nc(CN(C)CCC[NH+]2CCN(C)CC2)c2ccccn21 ZINC000568098091 319246808 /nfs/dbraw/zinc/24/68/08/319246808.db2.gz ZFWPRNIDNRYMOS-UHFFFAOYSA-N 1 3 343.519 2.527 20 0 EFADHO CN(C)CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000568200171 319257365 /nfs/dbraw/zinc/25/73/65/319257365.db2.gz RAYMREBBYPMWKB-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000568200171 319257367 /nfs/dbraw/zinc/25/73/67/319257367.db2.gz RAYMREBBYPMWKB-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1)C1CC1 ZINC000568211328 319258958 /nfs/dbraw/zinc/25/89/58/319258958.db2.gz ZPKSUWZLYRFILN-VQTJNVASSA-N 1 3 341.499 2.980 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1)C1CC1 ZINC000568211328 319258965 /nfs/dbraw/zinc/25/89/65/319258965.db2.gz ZPKSUWZLYRFILN-VQTJNVASSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc3ccccc32)CC[N@@H+]1C ZINC000568343777 319272426 /nfs/dbraw/zinc/27/24/26/319272426.db2.gz INETWTAYFNLXAG-BPQIPLTHSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc3ccccc32)CC[N@H+]1C ZINC000568343777 319272427 /nfs/dbraw/zinc/27/24/27/319272427.db2.gz INETWTAYFNLXAG-BPQIPLTHSA-N 1 3 328.456 2.652 20 0 EFADHO OC[C@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000568347003 319272889 /nfs/dbraw/zinc/27/28/89/319272889.db2.gz LGRTTZJQFXTTKJ-VQTJNVASSA-N 1 3 332.463 2.756 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000568748113 319315056 /nfs/dbraw/zinc/31/50/56/319315056.db2.gz BUIYWRSHKMADAS-UHFFFAOYSA-N 1 3 341.499 2.632 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000568847592 319323702 /nfs/dbraw/zinc/32/37/02/319323702.db2.gz QLCBYQQWVPCXSK-QXAKKESOSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CN[C@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000568868724 319325922 /nfs/dbraw/zinc/32/59/22/319325922.db2.gz BWBZFFGCFFQBKF-KDOFPFPSSA-N 1 3 348.454 2.849 20 0 EFADHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(Br)c1 ZINC000568873069 319326861 /nfs/dbraw/zinc/32/68/61/319326861.db2.gz JQXUMAZFJATIFB-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO CC[C@@]1(C(=O)N(C)CCC2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000568887837 319328785 /nfs/dbraw/zinc/32/87/85/319328785.db2.gz LWGPCFVQKUNAMZ-FQEVSTJZSA-N 1 3 344.503 2.679 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964368 319334818 /nfs/dbraw/zinc/33/48/18/319334818.db2.gz LEZIQEQNCRVXBI-KFWWJZLASA-N 1 3 330.476 2.778 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979355 319336437 /nfs/dbraw/zinc/33/64/37/319336437.db2.gz HFHRPUZKAHLHFS-GNBUJSLZSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979355 319336440 /nfs/dbraw/zinc/33/64/40/319336440.db2.gz HFHRPUZKAHLHFS-GNBUJSLZSA-N 1 3 347.547 2.830 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C)[C@H](C)C3)CC2)CC1 ZINC000569590260 319395303 /nfs/dbraw/zinc/39/53/03/319395303.db2.gz VPZMSXFMZKFJGJ-DLBZAZTESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000571561367 319585993 /nfs/dbraw/zinc/58/59/93/319585993.db2.gz WQVBNIURICFAGV-ZIAGYGMSSA-N 1 3 329.444 2.742 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000571992446 319625857 /nfs/dbraw/zinc/62/58/57/319625857.db2.gz XUHATNZAVUBWKR-AWEZNQCLSA-N 1 3 336.505 2.846 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c(OCCN(C)C)c1 ZINC000572124084 319639801 /nfs/dbraw/zinc/63/98/01/319639801.db2.gz HWESPFQYHNWMQE-JKSUJKDBSA-N 1 3 333.476 2.782 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000572360919 319661924 /nfs/dbraw/zinc/66/19/24/319661924.db2.gz RHSDBILJUUAYSM-GOSISDBHSA-N 1 3 342.487 2.546 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000572702428 319695925 /nfs/dbraw/zinc/69/59/25/319695925.db2.gz HCMGVGPLQWGIAP-NEPJUHHUSA-N 1 3 343.265 2.826 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cn1 ZINC000572733199 319699813 /nfs/dbraw/zinc/69/98/13/319699813.db2.gz HFEBXSXPEDSSSC-OALUTQOASA-N 1 3 346.519 2.645 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000574170093 319837547 /nfs/dbraw/zinc/83/75/47/319837547.db2.gz KGUYJLPIMRQNAQ-QLFBSQMISA-N 1 3 338.293 2.887 20 0 EFADHO CC[NH+]1CCC(CN[C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000574674260 319883688 /nfs/dbraw/zinc/88/36/88/319883688.db2.gz JKFCAIZDBHQRNQ-HNNXBMFYSA-N 1 3 334.460 2.621 20 0 EFADHO CN1CCO[C@@H]([C@@H](NC2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000575740719 319948949 /nfs/dbraw/zinc/94/89/49/319948949.db2.gz DWMGBTCARYQLDI-HIEASXQVSA-N 1 3 337.895 2.571 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)C1 ZINC000575816852 319956741 /nfs/dbraw/zinc/95/67/41/319956741.db2.gz XSQMLKRZSVHLRG-SQNIBIBYSA-N 1 3 337.895 2.573 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](N)C(C)(C)C ZINC000576230993 319996487 /nfs/dbraw/zinc/99/64/87/319996487.db2.gz VYQVQHMXXUPXIK-QGZVFWFLSA-N 1 3 332.492 2.520 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000576290215 320002347 /nfs/dbraw/zinc/00/23/47/320002347.db2.gz BRNFGDSUKQXCAC-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000576290215 320002349 /nfs/dbraw/zinc/00/23/49/320002349.db2.gz BRNFGDSUKQXCAC-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c(C)c1 ZINC000576509231 320021898 /nfs/dbraw/zinc/02/18/98/320021898.db2.gz UUAXMOICWKCWKV-GOSISDBHSA-N 1 3 334.504 2.896 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cccc(C)c3)CC2)CC1 ZINC000576606431 320032690 /nfs/dbraw/zinc/03/26/90/320032690.db2.gz KYHSNYRBVNELSY-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000576714473 320042184 /nfs/dbraw/zinc/04/21/84/320042184.db2.gz APPBFGXFKOXSFY-APWZRJJASA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000576714480 320042242 /nfs/dbraw/zinc/04/22/42/320042242.db2.gz APPBFGXFKOXSFY-VQIMIIECSA-N 1 3 329.488 2.640 20 0 EFADHO CN1CCC(N2CCC([NH2+]CC3Cc4ccccc4C3)CC2)CC1 ZINC000576870761 320056091 /nfs/dbraw/zinc/05/60/91/320056091.db2.gz JOFKSOFLUIKPPD-UHFFFAOYSA-N 1 3 327.516 2.550 20 0 EFADHO CSC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577115569 320078858 /nfs/dbraw/zinc/07/88/58/320078858.db2.gz SMDLTNXBRVOTTL-LSDHHAIUSA-N 1 3 328.547 2.534 20 0 EFADHO CSC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577115569 320078860 /nfs/dbraw/zinc/07/88/60/320078860.db2.gz SMDLTNXBRVOTTL-LSDHHAIUSA-N 1 3 328.547 2.534 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000577184317 320085876 /nfs/dbraw/zinc/08/58/76/320085876.db2.gz ODBXSNXGLYOHOU-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000577184317 320085878 /nfs/dbraw/zinc/08/58/78/320085878.db2.gz ODBXSNXGLYOHOU-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000577217726 320089356 /nfs/dbraw/zinc/08/93/56/320089356.db2.gz QPIXYMJKACWFSY-QYZOEREBSA-N 1 3 331.504 2.876 20 0 EFADHO [NH3+]C[C@@H]1OCC[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000577267531 320093916 /nfs/dbraw/zinc/09/39/16/320093916.db2.gz BBJGNZFKZNZTQL-IRXDYDNUSA-N 1 3 342.443 2.554 20 0 EFADHO [NH3+]C[C@H]1OCC[C@@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000577267529 320094255 /nfs/dbraw/zinc/09/42/55/320094255.db2.gz BBJGNZFKZNZTQL-DLBZAZTESA-N 1 3 342.443 2.554 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000577592920 320124850 /nfs/dbraw/zinc/12/48/50/320124850.db2.gz AZRKLSHGTYXGNG-RBUKOAKNSA-N 1 3 325.456 2.845 20 0 EFADHO CNCc1cccc(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000577603317 320126323 /nfs/dbraw/zinc/12/63/23/320126323.db2.gz VWEHQWDXGWOZAD-UHFFFAOYSA-N 1 3 332.492 2.990 20 0 EFADHO CNCc1cccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000577603317 320126325 /nfs/dbraw/zinc/12/63/25/320126325.db2.gz VWEHQWDXGWOZAD-UHFFFAOYSA-N 1 3 332.492 2.990 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000577662141 320131628 /nfs/dbraw/zinc/13/16/28/320131628.db2.gz NRNKOCONIGIWFX-HKUYNNGSSA-N 1 3 346.471 2.545 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 ZINC000577662141 320131630 /nfs/dbraw/zinc/13/16/30/320131630.db2.gz NRNKOCONIGIWFX-HKUYNNGSSA-N 1 3 346.471 2.545 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000577662142 320131944 /nfs/dbraw/zinc/13/19/44/320131944.db2.gz NRNKOCONIGIWFX-IEBWSBKVSA-N 1 3 346.471 2.545 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000577662142 320131946 /nfs/dbraw/zinc/13/19/46/320131946.db2.gz NRNKOCONIGIWFX-IEBWSBKVSA-N 1 3 346.471 2.545 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577688243 320133091 /nfs/dbraw/zinc/13/30/91/320133091.db2.gz JSGKFYRZTAYPNH-YQVWRLOYSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577688243 320133093 /nfs/dbraw/zinc/13/30/93/320133093.db2.gz JSGKFYRZTAYPNH-YQVWRLOYSA-N 1 3 346.519 2.677 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@@H](O)COc1ccccc1F)C(C)(C)C ZINC000578006743 320164213 /nfs/dbraw/zinc/16/42/13/320164213.db2.gz REYFMKYJYJCMDC-RHSMWYFYSA-N 1 3 326.456 2.521 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000578226579 320186282 /nfs/dbraw/zinc/18/62/82/320186282.db2.gz DNJXBJOKVPQALP-SJLPKXTDSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000578353453 320198578 /nfs/dbraw/zinc/19/85/78/320198578.db2.gz FUTIAVQBOJABPX-FUHIMQAGSA-N 1 3 343.515 2.748 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000578353453 320198580 /nfs/dbraw/zinc/19/85/80/320198580.db2.gz FUTIAVQBOJABPX-FUHIMQAGSA-N 1 3 343.515 2.748 20 0 EFADHO C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000578623164 320223662 /nfs/dbraw/zinc/22/36/62/320223662.db2.gz PKPOSHSKTSVSCV-MRXNPFEDSA-N 1 3 339.483 2.887 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000578647866 320226310 /nfs/dbraw/zinc/22/63/10/320226310.db2.gz MEDUESAWGCXAIV-HXUWFJFHSA-N 1 3 345.531 2.821 20 0 EFADHO CCc1[nH+]c2ccccc2c(NC[C@H](C)N2CCN(CC)CC2)c1C ZINC000578803556 320240890 /nfs/dbraw/zinc/24/08/90/320240890.db2.gz DQLRANPNEJXVJR-INIZCTEOSA-N 1 3 340.515 2.965 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C12CCCC2 ZINC000182091168 323263501 /nfs/dbraw/zinc/26/35/01/323263501.db2.gz LZQIUFXNOREJBA-MSOLQXFVSA-N 1 3 347.503 2.849 20 0 EFADHO C[C@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[NH+]1CCCCC1 ZINC000182704071 323296887 /nfs/dbraw/zinc/29/68/87/323296887.db2.gz RNXLCJNFYKBOKJ-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000183567321 323341919 /nfs/dbraw/zinc/34/19/19/323341919.db2.gz RZXYGRASSUCXKP-TZIWHRDSSA-N 1 3 345.531 2.554 20 0 EFADHO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183793924 323348811 /nfs/dbraw/zinc/34/88/11/323348811.db2.gz AVTJLDXUCOMXOH-APWZRJJASA-N 1 3 331.504 2.894 20 0 EFADHO Cc1cc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)no1 ZINC000185691419 323394896 /nfs/dbraw/zinc/39/48/96/323394896.db2.gz TXADBSOAPFQPJY-CABCVRRESA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CCN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000185691419 323394901 /nfs/dbraw/zinc/39/49/01/323394901.db2.gz TXADBSOAPFQPJY-CABCVRRESA-N 1 3 334.464 2.554 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)no1 ZINC000185691419 323394907 /nfs/dbraw/zinc/39/49/07/323394907.db2.gz TXADBSOAPFQPJY-CABCVRRESA-N 1 3 334.464 2.554 20 0 EFADHO C[NH2+][C@@H](C)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000390758870 323778379 /nfs/dbraw/zinc/77/83/79/323778379.db2.gz YGQCQEMSJQVWLP-SFHVURJKSA-N 1 3 339.483 2.803 20 0 EFADHO CC[NH+]1CCC(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000579424021 323951776 /nfs/dbraw/zinc/95/17/76/323951776.db2.gz XPBZSXNDZHQUEI-CYBMUJFWSA-N 1 3 342.480 2.612 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CNCc1cccc(C[NH+](C)C)c1 ZINC000579703181 324014835 /nfs/dbraw/zinc/01/48/35/324014835.db2.gz DFJTUXFZVRUELO-HXUWFJFHSA-N 1 3 342.483 2.895 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000579715175 324018752 /nfs/dbraw/zinc/01/87/52/324018752.db2.gz RHQZZQWPMWHTIO-QXAKKESOSA-N 1 3 347.478 2.509 20 0 EFADHO COCC[N@H+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000579727706 324021671 /nfs/dbraw/zinc/02/16/71/324021671.db2.gz VGRIWRBTHDWOAC-IAGOWNOFSA-N 1 3 328.884 2.566 20 0 EFADHO COCC[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000579727706 324021672 /nfs/dbraw/zinc/02/16/72/324021672.db2.gz VGRIWRBTHDWOAC-IAGOWNOFSA-N 1 3 328.884 2.566 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNCC3CC3)ccc21 ZINC000579828857 324040954 /nfs/dbraw/zinc/04/09/54/324040954.db2.gz VWAMZLXWLVKLFK-UHFFFAOYSA-N 1 3 342.487 2.921 20 0 EFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+]CC2Cc3ccccc3C2)C1 ZINC000579895225 324050304 /nfs/dbraw/zinc/05/03/04/324050304.db2.gz LMIVLJKHTCSWGZ-QFIPXVFZSA-N 1 3 336.479 2.758 20 0 EFADHO N[C@H](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000579935345 324060998 /nfs/dbraw/zinc/06/09/98/324060998.db2.gz FMSGJBXOOQTOTL-CQSZACIVSA-N 1 3 330.457 2.639 20 0 EFADHO C[C@@H]1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000580022437 324076740 /nfs/dbraw/zinc/07/67/40/324076740.db2.gz ILQOQEOJOZSKQH-QGZVFWFLSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000580187305 324116264 /nfs/dbraw/zinc/11/62/64/324116264.db2.gz NOOQEHLWVKDAFL-ZACQAIPSSA-N 1 3 343.515 2.921 20 0 EFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](CC(C)(C)C)NC)CC1 ZINC000580195529 324118062 /nfs/dbraw/zinc/11/80/62/324118062.db2.gz AJHRYGXWVMMDCU-OAHLLOKOSA-N 1 3 335.496 2.503 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000580269273 324127469 /nfs/dbraw/zinc/12/74/69/324127469.db2.gz NUDBJUPPTJRGDZ-UHFFFAOYSA-N 1 3 331.504 2.593 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000580525321 324179410 /nfs/dbraw/zinc/17/94/10/324179410.db2.gz SWBURJAYTYKQNT-NJYVYQBISA-N 1 3 338.499 2.995 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000580567492 324191090 /nfs/dbraw/zinc/19/10/90/324191090.db2.gz AZKSXYNJFZPKBZ-SFHVURJKSA-N 1 3 347.503 2.606 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000580749521 324224988 /nfs/dbraw/zinc/22/49/88/324224988.db2.gz NJHDKHNIRKCRAC-LJQANCHMSA-N 1 3 329.488 2.992 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000580749521 324224989 /nfs/dbraw/zinc/22/49/89/324224989.db2.gz NJHDKHNIRKCRAC-LJQANCHMSA-N 1 3 329.488 2.992 20 0 EFADHO CC(C)c1nc(CNCCCC[N@@H+]2CCC[C@@H]2CO)c2ccccn21 ZINC000581196148 324327116 /nfs/dbraw/zinc/32/71/16/324327116.db2.gz VPDAHHAQLNGBLR-QGZVFWFLSA-N 1 3 344.503 2.784 20 0 EFADHO CC(C)c1nc(CNCCCC[N@H+]2CCC[C@@H]2CO)c2ccccn21 ZINC000581196148 324327122 /nfs/dbraw/zinc/32/71/22/324327122.db2.gz VPDAHHAQLNGBLR-QGZVFWFLSA-N 1 3 344.503 2.784 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)CN1CCCCC1 ZINC000581305265 324348456 /nfs/dbraw/zinc/34/84/56/324348456.db2.gz AJOAZIJHBMGFGZ-WBVHZDCISA-N 1 3 340.895 2.791 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC[NH2+]C2CC2)c2cccs2)CC1 ZINC000581320921 324351904 /nfs/dbraw/zinc/35/19/04/324351904.db2.gz SAQACFFNRNUHQG-MRXNPFEDSA-N 1 3 335.517 2.779 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000581476074 324386758 /nfs/dbraw/zinc/38/67/58/324386758.db2.gz HDXMAHSCDRGFAE-ICSRJNTNSA-N 1 3 330.520 2.725 20 0 EFADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCC2=CC[NH2+]CC2)cc1 ZINC000582719584 324655257 /nfs/dbraw/zinc/65/52/57/324655257.db2.gz KKORILBDZDTOFD-RBUKOAKNSA-N 1 3 348.512 2.589 20 0 EFADHO CC(C)COC[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000583078976 324733808 /nfs/dbraw/zinc/73/38/08/324733808.db2.gz CDKTXNONZOEZMT-KRWDZBQOSA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)COc1ccccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000583124367 324742063 /nfs/dbraw/zinc/74/20/63/324742063.db2.gz FXUSZYYZXZWQMC-UHFFFAOYSA-N 1 3 333.520 2.839 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000583801215 324874335 /nfs/dbraw/zinc/87/43/35/324874335.db2.gz GSVYPGZBOKRDKL-PKOBYXMFSA-N 1 3 344.503 2.594 20 0 EFADHO FC(F)Oc1cc(C[NH2+]C2CCN(c3ccncc3)CC2)ccn1 ZINC000583917417 324895302 /nfs/dbraw/zinc/89/53/02/324895302.db2.gz JMDKWCWEXNBYHG-UHFFFAOYSA-N 1 3 334.370 2.837 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000137468753 473206426 /nfs/dbraw/zinc/20/64/26/473206426.db2.gz AGTSPIUVYWAYLO-PXNSSMCTSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCC[C@H]1C ZINC000042909514 472182374 /nfs/dbraw/zinc/18/23/74/472182374.db2.gz YJVYWOBPZGHZTR-CABCVRRESA-N 1 3 338.540 2.858 20 0 EFADHO CCN(CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000101982291 472560086 /nfs/dbraw/zinc/56/00/86/472560086.db2.gz DYOKKWLZCHXCTG-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000101982291 472560091 /nfs/dbraw/zinc/56/00/91/472560091.db2.gz DYOKKWLZCHXCTG-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO CN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000139436304 473231591 /nfs/dbraw/zinc/23/15/91/473231591.db2.gz BDQYCUDAWBNRBA-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000111862726 473232003 /nfs/dbraw/zinc/23/20/03/473232003.db2.gz FOULADSYIVDEEI-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000111862726 473232005 /nfs/dbraw/zinc/23/20/05/473232005.db2.gz FOULADSYIVDEEI-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000095965868 473232763 /nfs/dbraw/zinc/23/27/63/473232763.db2.gz ZTAQYLLDIHWSMA-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000095965868 473232767 /nfs/dbraw/zinc/23/27/67/473232767.db2.gz ZTAQYLLDIHWSMA-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000111882942 473234627 /nfs/dbraw/zinc/23/46/27/473234627.db2.gz YMMFUKWOBAAZOB-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000124529646 473257218 /nfs/dbraw/zinc/25/72/18/473257218.db2.gz BGCNXENODIJKFJ-HOTGVXAUSA-N 1 3 337.533 2.978 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)C3CCCC3)CC2)CC1 ZINC000161756364 473259219 /nfs/dbraw/zinc/25/92/19/473259219.db2.gz PJENNSNUUREJHX-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCC(C)CC2)[C@H](C)C1 ZINC000161771893 473262063 /nfs/dbraw/zinc/26/20/63/473262063.db2.gz MMMKNSFNVDBLSG-UXHICEINSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NCCC[NH+]1CCC(C)CC1 ZINC000161777261 473262313 /nfs/dbraw/zinc/26/23/13/473262313.db2.gz IUCJYMIRDDPLFN-AWEZNQCLSA-N 1 3 343.313 2.746 20 0 EFADHO Fc1ccc(C(NCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000147658792 473310113 /nfs/dbraw/zinc/31/01/13/473310113.db2.gz LKBUODJWVMYUJZ-UHFFFAOYSA-N 1 3 331.410 2.549 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000124954975 473331951 /nfs/dbraw/zinc/33/19/51/473331951.db2.gz RAUBFRXHOQEJFL-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000083213711 473334132 /nfs/dbraw/zinc/33/41/32/473334132.db2.gz QMNUQUZTVHBJIM-HNNXBMFYSA-N 1 3 336.455 2.543 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000083213711 473334139 /nfs/dbraw/zinc/33/41/39/473334139.db2.gz QMNUQUZTVHBJIM-HNNXBMFYSA-N 1 3 336.455 2.543 20 0 EFADHO CCN(CC)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000171271898 473347513 /nfs/dbraw/zinc/34/75/13/473347513.db2.gz HSAFQEJWJCNTRJ-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000150829989 473362553 /nfs/dbraw/zinc/36/25/53/473362553.db2.gz ZLTFUIXSOMZHBW-RTBURBONSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000150829989 473362560 /nfs/dbraw/zinc/36/25/60/473362560.db2.gz ZLTFUIXSOMZHBW-RTBURBONSA-N 1 3 331.504 2.553 20 0 EFADHO Cc1ccccc1OCCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000177374286 473367056 /nfs/dbraw/zinc/36/70/56/473367056.db2.gz XORVCNOTIUENHJ-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1ccccc1OCCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177374286 473367060 /nfs/dbraw/zinc/36/70/60/473367060.db2.gz XORVCNOTIUENHJ-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)oc1C ZINC000162748862 473377290 /nfs/dbraw/zinc/37/72/90/473377290.db2.gz GJHAYYFXFACMTM-QMTMVMCOSA-N 1 3 348.535 2.822 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000150964609 473388210 /nfs/dbraw/zinc/38/82/10/473388210.db2.gz IDXCKLXFMRFQOB-GOSISDBHSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000150970599 473388755 /nfs/dbraw/zinc/38/87/55/473388755.db2.gz QMAGKLJZMAATBA-AWEZNQCLSA-N 1 3 341.446 2.965 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000162859420 473391333 /nfs/dbraw/zinc/39/13/33/473391333.db2.gz UEOLFQFBEHVCKY-ROUUACIJSA-N 1 3 346.519 2.529 20 0 EFADHO C[NH+]1CCC(O)(CNCc2cccc(Br)c2Cl)CC1 ZINC000631078116 479880368 /nfs/dbraw/zinc/88/03/68/479880368.db2.gz QXLFXWFYOAEVMS-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO C[N@H+](CCCNC1CCC(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000340188390 475840793 /nfs/dbraw/zinc/84/07/93/475840793.db2.gz WONSSPYLGWIZKT-UHFFFAOYSA-N 1 3 344.565 2.834 20 0 EFADHO C[N@@H+](CCCNC1CCC(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000340188390 475840799 /nfs/dbraw/zinc/84/07/99/475840799.db2.gz WONSSPYLGWIZKT-UHFFFAOYSA-N 1 3 344.565 2.834 20 0 EFADHO CN(CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000340188390 475840804 /nfs/dbraw/zinc/84/08/04/475840804.db2.gz WONSSPYLGWIZKT-UHFFFAOYSA-N 1 3 344.565 2.834 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c1CCNC2 ZINC000388467614 476776589 /nfs/dbraw/zinc/77/65/89/476776589.db2.gz DPIBUKLKWDLWHO-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CCNC2 ZINC000388467614 476776600 /nfs/dbraw/zinc/77/66/00/476776600.db2.gz DPIBUKLKWDLWHO-GOSISDBHSA-N 1 3 349.478 2.584 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000388783071 476779997 /nfs/dbraw/zinc/77/99/97/476779997.db2.gz HGVKJHGYMFJHLI-KWCYVHTRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000388783071 476780003 /nfs/dbraw/zinc/78/00/03/476780003.db2.gz HGVKJHGYMFJHLI-KWCYVHTRSA-N 1 3 347.286 2.805 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798283 476780610 /nfs/dbraw/zinc/78/06/10/476780610.db2.gz QLYWTSTXMNKLAZ-GDZNZVCISA-N 1 3 328.859 2.737 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798283 476780617 /nfs/dbraw/zinc/78/06/17/476780617.db2.gz QLYWTSTXMNKLAZ-GDZNZVCISA-N 1 3 328.859 2.737 20 0 EFADHO CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416827463 477326308 /nfs/dbraw/zinc/32/63/08/477326308.db2.gz CRQHXPFHCDHSTD-LSDHHAIUSA-N 1 3 338.521 2.558 20 0 EFADHO C[C@H](C[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416958852 477388097 /nfs/dbraw/zinc/38/80/97/477388097.db2.gz MGALXWQCDRLASV-OAHLLOKOSA-N 1 3 340.471 2.562 20 0 EFADHO C[N@H+](Cc1cccc(CN2CCCCC2)c1)C1(CO)CCOCC1 ZINC000411627800 477299234 /nfs/dbraw/zinc/29/92/34/477299234.db2.gz QPRRNBPSCUPUCL-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[N@@H+](Cc1cccc(CN2CCCCC2)c1)C1(CO)CCOCC1 ZINC000411627800 477299243 /nfs/dbraw/zinc/29/92/43/477299243.db2.gz QPRRNBPSCUPUCL-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000433137239 477308997 /nfs/dbraw/zinc/30/89/97/477308997.db2.gz SJIAPKVLATYLJC-HOTGVXAUSA-N 1 3 337.533 2.868 20 0 EFADHO CCN1CCN(Cc2ccc(CNCc3cncc(F)c3)cc2)CC1 ZINC000494559902 478011261 /nfs/dbraw/zinc/01/12/61/478011261.db2.gz WRDWPVIMJRQNEL-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO CC[NH+]1CCN(Cc2ccc(CNCc3cncc(F)c3)cc2)CC1 ZINC000494559902 478011265 /nfs/dbraw/zinc/01/12/65/478011265.db2.gz WRDWPVIMJRQNEL-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO CC(C)O[C@@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451496838 478053087 /nfs/dbraw/zinc/05/30/87/478053087.db2.gz KNFNKEZDRCGJJC-ZWKOTPCHSA-N 1 3 325.541 2.584 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425728 479898709 /nfs/dbraw/zinc/89/87/09/479898709.db2.gz TVXDWHBVKIKENB-IAGOWNOFSA-N 1 3 347.503 2.655 20 0 EFADHO COCCc1ncc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000631124306 479908716 /nfs/dbraw/zinc/90/87/16/479908716.db2.gz USEYYOJOJJIOLY-KRWDZBQOSA-N 1 3 345.512 2.944 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000631181176 479945024 /nfs/dbraw/zinc/94/50/24/479945024.db2.gz MVONSKUAFUOEDI-QGZVFWFLSA-N 1 3 331.504 2.986 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cc(Br)cs2)CC1 ZINC000053382948 472002463 /nfs/dbraw/zinc/00/24/63/472002463.db2.gz HTXWDLVWGCMQMV-UHFFFAOYSA-N 1 3 346.338 2.626 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)CN(C)C(C)C)c1cccc(OC)c1 ZINC000067571774 472051528 /nfs/dbraw/zinc/05/15/28/472051528.db2.gz QRVGFBYHAAJGCQ-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000067679449 472070001 /nfs/dbraw/zinc/07/00/01/472070001.db2.gz KHYIYJIFEPQGFC-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000067679449 472070008 /nfs/dbraw/zinc/07/00/08/472070008.db2.gz KHYIYJIFEPQGFC-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)N(C)C)cc1 ZINC000067705671 472076380 /nfs/dbraw/zinc/07/63/80/472076380.db2.gz WXYNJXXUVVGDGK-IBGZPJMESA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000025498909 472099033 /nfs/dbraw/zinc/09/90/33/472099033.db2.gz NQNWKIVQZDPACF-MSOLQXFVSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054718239 472110965 /nfs/dbraw/zinc/11/09/65/472110965.db2.gz KBAACEIMDXHACW-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC000054717903 472111191 /nfs/dbraw/zinc/11/11/91/472111191.db2.gz URRUQHBGTODSKO-HKUYNNGSSA-N 1 3 344.503 2.607 20 0 EFADHO N=C1Nc2nc3ccccc3n2C2(CC[NH+](C3CCCCC3)CC2)N1 ZINC000067963362 472116338 /nfs/dbraw/zinc/11/63/38/472116338.db2.gz PHVGRHHUQBGPEO-UHFFFAOYSA-N 1 3 338.459 2.667 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538076 472154167 /nfs/dbraw/zinc/15/41/67/472154167.db2.gz MKLAXQQQCKGYCC-QGZVFWFLSA-N 1 3 332.492 2.944 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000068598254 472217598 /nfs/dbraw/zinc/21/75/98/472217598.db2.gz MRRBSGBFJYYZGM-GJZGRUSLSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000075935751 472223699 /nfs/dbraw/zinc/22/36/99/472223699.db2.gz LMVANNWIGARSIW-WFXMLNOXSA-N 1 3 346.515 2.715 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000085395393 472244317 /nfs/dbraw/zinc/24/43/17/472244317.db2.gz RIMKKTNWEAXRFL-UHOSZYNNSA-N 1 3 346.519 2.579 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000085395393 472244325 /nfs/dbraw/zinc/24/43/25/472244325.db2.gz RIMKKTNWEAXRFL-UHOSZYNNSA-N 1 3 346.519 2.579 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000085422676 472246759 /nfs/dbraw/zinc/24/67/59/472246759.db2.gz VLGZXGDRCDREHH-KRWDZBQOSA-N 1 3 348.535 2.736 20 0 EFADHO c1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c[nH]1 ZINC000086251240 472277460 /nfs/dbraw/zinc/27/74/60/472277460.db2.gz RAANGXOAWUKRAT-UHFFFAOYSA-N 1 3 326.488 2.702 20 0 EFADHO CC1CC[NH+](CCCNC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000044277467 472295128 /nfs/dbraw/zinc/29/51/28/472295128.db2.gz DZTWGDHNJNPYKK-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056523908 472331868 /nfs/dbraw/zinc/33/18/68/472331868.db2.gz NXHQYMVECWMQHR-MSOLQXFVSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@H](C(=O)NC[C@@H](C)c1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523902 472332109 /nfs/dbraw/zinc/33/21/09/472332109.db2.gz NXHQYMVECWMQHR-QZTJIDSGSA-N 1 3 345.531 2.959 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523114 472332621 /nfs/dbraw/zinc/33/26/21/472332621.db2.gz FASMNNDNUZVZER-IBGZPJMESA-N 1 3 334.504 2.707 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523278 472332783 /nfs/dbraw/zinc/33/27/83/472332783.db2.gz JXCZHYRPPRJOTN-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CCCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000076428564 472346230 /nfs/dbraw/zinc/34/62/30/472346230.db2.gz VXEOEDUSJYPKHD-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000044913400 472352467 /nfs/dbraw/zinc/35/24/67/472352467.db2.gz RQYRBCFHTJDNST-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215697 472392861 /nfs/dbraw/zinc/39/28/61/472392861.db2.gz KHPJRSFHFDSQSA-INIZCTEOSA-N 1 3 332.492 2.535 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000069667149 472394513 /nfs/dbraw/zinc/39/45/13/472394513.db2.gz HXJRLDJGXPNOIR-UHFFFAOYSA-N 1 3 347.503 2.575 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000154163656 472396073 /nfs/dbraw/zinc/39/60/73/472396073.db2.gz DTZHAISXYQXLKS-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000154163656 472396079 /nfs/dbraw/zinc/39/60/79/472396079.db2.gz DTZHAISXYQXLKS-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154175596 472398120 /nfs/dbraw/zinc/39/81/20/472398120.db2.gz CXWQZFDQADMOIB-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)o1 ZINC000076761951 472399238 /nfs/dbraw/zinc/39/92/38/472399238.db2.gz PVIBYMRWDQDHMI-OAHLLOKOSA-N 1 3 344.459 2.569 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 ZINC000128093762 472401035 /nfs/dbraw/zinc/40/10/35/472401035.db2.gz VQKHVDNBJPLITM-OCCSQVGLSA-N 1 3 341.858 2.717 20 0 EFADHO CC(C)CCN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076794838 472405243 /nfs/dbraw/zinc/40/52/43/472405243.db2.gz GDGKYZJDKDYMBD-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000128131268 472406127 /nfs/dbraw/zinc/40/61/27/472406127.db2.gz RANSFUMWPVQZJF-AEFFLSMTSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@H]1C[C@@H](NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000128135169 472406159 /nfs/dbraw/zinc/40/61/59/472406159.db2.gz IIIVOAVBJUYGRM-JSGCOSHPSA-N 1 3 327.266 2.900 20 0 EFADHO C[C@H]1C[C@@H](NCCOc2ccc(Br)cc2)CC[N@H+]1C ZINC000128135169 472406166 /nfs/dbraw/zinc/40/61/66/472406166.db2.gz IIIVOAVBJUYGRM-JSGCOSHPSA-N 1 3 327.266 2.900 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116440588 472409514 /nfs/dbraw/zinc/40/95/14/472409514.db2.gz KSIIUTAEAMFFRF-MSOLQXFVSA-N 1 3 348.535 2.955 20 0 EFADHO C[C@@H]1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H](C)C1 ZINC000128217583 472419579 /nfs/dbraw/zinc/41/95/79/472419579.db2.gz DAOPYRMQDDOWLS-HOTGVXAUSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000069770435 472423601 /nfs/dbraw/zinc/42/36/01/472423601.db2.gz BIRPINHQEWYRSR-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000069770435 472423605 /nfs/dbraw/zinc/42/36/05/472423605.db2.gz BIRPINHQEWYRSR-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1 ZINC000154401154 472428867 /nfs/dbraw/zinc/42/88/67/472428867.db2.gz KWGKXXCFYZJWQK-QZTJIDSGSA-N 1 3 333.520 2.804 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000097057141 472429239 /nfs/dbraw/zinc/42/92/39/472429239.db2.gz QOXZSOFJCWJHBI-HUUJSLGLSA-N 1 3 340.467 2.987 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089425149 472435854 /nfs/dbraw/zinc/43/58/54/472435854.db2.gz KPECNELXDHQIMZ-DLBZAZTESA-N 1 3 331.508 2.668 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089425149 472435860 /nfs/dbraw/zinc/43/58/60/472435860.db2.gz KPECNELXDHQIMZ-DLBZAZTESA-N 1 3 331.508 2.668 20 0 EFADHO CC[C@@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000633765702 479987611 /nfs/dbraw/zinc/98/76/11/479987611.db2.gz DAQYGUOQBQGGLN-CABCVRRESA-N 1 3 345.409 2.765 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000097428311 472496227 /nfs/dbraw/zinc/49/62/27/472496227.db2.gz MAHUTMGQZDEFHV-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000097428311 472496234 /nfs/dbraw/zinc/49/62/34/472496234.db2.gz MAHUTMGQZDEFHV-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000119092819 472526039 /nfs/dbraw/zinc/52/60/39/472526039.db2.gz HHJBIYAZDKPQOG-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000119092819 472526047 /nfs/dbraw/zinc/52/60/47/472526047.db2.gz HHJBIYAZDKPQOG-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000102004499 472560912 /nfs/dbraw/zinc/56/09/12/472560912.db2.gz IFZDBBXZOPRINW-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000119676658 472573958 /nfs/dbraw/zinc/57/39/58/472573958.db2.gz BSMNUIJMIQGLKE-UHFFFAOYSA-N 1 3 346.397 2.663 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000077644881 472574234 /nfs/dbraw/zinc/57/42/34/472574234.db2.gz GWIKYZVXYOBWDY-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000119688949 472576204 /nfs/dbraw/zinc/57/62/04/472576204.db2.gz TVOAGMWECRTQOU-UHFFFAOYSA-N 1 3 347.290 2.951 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000155688043 472595782 /nfs/dbraw/zinc/59/57/82/472595782.db2.gz VSEJMGJQBXCUBX-ZWKOTPCHSA-N 1 3 341.503 2.549 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccc(OC)c1 ZINC000119897427 472598937 /nfs/dbraw/zinc/59/89/37/472598937.db2.gz ANKXVPQOWWWMJC-ICSRJNTNSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000077753032 472602299 /nfs/dbraw/zinc/60/22/99/472602299.db2.gz ZOYDKSRXHHGWIF-AWEZNQCLSA-N 1 3 340.899 2.536 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC1CCN(C)CC1 ZINC000058887970 472608756 /nfs/dbraw/zinc/60/87/56/472608756.db2.gz RSYFRMAAMRJZOF-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155789973 472615520 /nfs/dbraw/zinc/61/55/20/472615520.db2.gz FMHSOOHBBLGTQM-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155789973 472615526 /nfs/dbraw/zinc/61/55/26/472615526.db2.gz FMHSOOHBBLGTQM-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155792727 472616986 /nfs/dbraw/zinc/61/69/86/472616986.db2.gz YDJOOYLUUWEAEY-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155792727 472616991 /nfs/dbraw/zinc/61/69/91/472616991.db2.gz YDJOOYLUUWEAEY-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000077803106 472618871 /nfs/dbraw/zinc/61/88/71/472618871.db2.gz RQECSZGYEPMABL-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000077803106 472618876 /nfs/dbraw/zinc/61/88/76/472618876.db2.gz RQECSZGYEPMABL-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CCC1 ZINC000077810340 472621702 /nfs/dbraw/zinc/62/17/02/472621702.db2.gz WUHIUDCLWQKQPR-LJQANCHMSA-N 1 3 346.519 2.663 20 0 EFADHO CC(C)(CNC(=O)CCC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000155911985 472638144 /nfs/dbraw/zinc/63/81/44/472638144.db2.gz DHJMRBGTSPUIBL-UHFFFAOYSA-N 1 3 343.515 2.719 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723371 472654409 /nfs/dbraw/zinc/65/44/09/472654409.db2.gz UZMOESPVQQKJSB-UZLBHIALSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000090723371 472654411 /nfs/dbraw/zinc/65/44/11/472654411.db2.gz UZMOESPVQQKJSB-UZLBHIALSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCN1C ZINC000156077186 472662656 /nfs/dbraw/zinc/66/26/56/472662656.db2.gz SJTSXWFQCGYNIZ-WOJBJXKFSA-N 1 3 344.547 2.661 20 0 EFADHO C[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000120619738 472720060 /nfs/dbraw/zinc/72/00/60/472720060.db2.gz YJDKBEGFVWSOFC-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000105083236 472720143 /nfs/dbraw/zinc/72/01/43/472720143.db2.gz OLBWQEVFBCZUNA-OALUTQOASA-N 1 3 346.519 2.587 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000120663349 472726730 /nfs/dbraw/zinc/72/67/30/472726730.db2.gz HIRCQRQGWYPNKG-XLIONFOSSA-N 1 3 345.531 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000156567120 472726747 /nfs/dbraw/zinc/72/67/47/472726747.db2.gz ZLTFUIXSOMZHBW-MOPGFXCFSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000156567120 472726752 /nfs/dbraw/zinc/72/67/52/472726752.db2.gz ZLTFUIXSOMZHBW-MOPGFXCFSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[NH+]1CCCC1 ZINC000105141309 472727582 /nfs/dbraw/zinc/72/75/82/472727582.db2.gz DDJJULKXJZFVQD-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000105266909 472738721 /nfs/dbraw/zinc/73/87/21/472738721.db2.gz PPLXAULENBGGMR-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)N(C)C2CC2)CC1 ZINC000105266909 472738726 /nfs/dbraw/zinc/73/87/26/472738726.db2.gz PPLXAULENBGGMR-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000132769893 472753819 /nfs/dbraw/zinc/75/38/19/472753819.db2.gz HGJLYOHKYATPFS-ICSRJNTNSA-N 1 3 332.488 2.548 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](C)N1CCCC[C@H]1C)C(C)C ZINC000047683626 472756605 /nfs/dbraw/zinc/75/66/05/472756605.db2.gz KNOZMNCLQLVDGK-SJORKVTESA-N 1 3 326.529 2.667 20 0 EFADHO CC(C)[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000156962456 472771031 /nfs/dbraw/zinc/77/10/31/472771031.db2.gz SPAQYKMPHMHASB-PMACEKPBSA-N 1 3 343.515 2.908 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000047978415 472791877 /nfs/dbraw/zinc/79/18/77/472791877.db2.gz PXTQOTQNROSKFY-LJQANCHMSA-N 1 3 334.504 2.789 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000121129946 472803580 /nfs/dbraw/zinc/80/35/80/472803580.db2.gz DGIHGQCIBNSMBI-SJORKVTESA-N 1 3 349.519 2.628 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000073401007 472806828 /nfs/dbraw/zinc/80/68/28/472806828.db2.gz WGZSQOOXDRZDAZ-KRWDZBQOSA-N 1 3 349.544 2.979 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121160236 472808745 /nfs/dbraw/zinc/80/87/45/472808745.db2.gz QTJRKHPUCVQFHV-APWZRJJASA-N 1 3 349.494 2.903 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCC[C@H](C)[NH+]1CCCCC1 ZINC000157354712 472811284 /nfs/dbraw/zinc/81/12/84/472811284.db2.gz HAVHTPXRNXAZED-KGLIPLIRSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC[C@H](C)N1CCCCC1 ZINC000157354712 472811291 /nfs/dbraw/zinc/81/12/91/472811291.db2.gz HAVHTPXRNXAZED-KGLIPLIRSA-N 1 3 343.313 2.888 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000079121422 472823215 /nfs/dbraw/zinc/82/32/15/472823215.db2.gz QAJAHHSVRURCCP-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000073534097 472826317 /nfs/dbraw/zinc/82/63/17/472826317.db2.gz UYQLFLCXYUIPPI-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000073534097 472826319 /nfs/dbraw/zinc/82/63/19/472826319.db2.gz UYQLFLCXYUIPPI-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000073553456 472829430 /nfs/dbraw/zinc/82/94/30/472829430.db2.gz HBAAGORCBXHKSS-QGZVFWFLSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121291515 472830169 /nfs/dbraw/zinc/83/01/69/472830169.db2.gz WPDHDJCRSDJCLM-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO COc1cccc(C[C@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)c1 ZINC000121293987 472830334 /nfs/dbraw/zinc/83/03/34/472830334.db2.gz HIBXXXJAZINKAO-NRFANRHFSA-N 1 3 345.531 2.634 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000079265615 472840411 /nfs/dbraw/zinc/84/04/11/472840411.db2.gz KQTVOJSXFCSAJY-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000079265615 472840414 /nfs/dbraw/zinc/84/04/14/472840414.db2.gz KQTVOJSXFCSAJY-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000121558086 472872472 /nfs/dbraw/zinc/87/24/72/472872472.db2.gz GCLALZHVLNCQLN-IXDOHACOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000121558086 472872478 /nfs/dbraw/zinc/87/24/78/472872478.db2.gz GCLALZHVLNCQLN-IXDOHACOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000106647163 472876738 /nfs/dbraw/zinc/87/67/38/472876738.db2.gz SRBYODDMNUKZRQ-FUHIMQAGSA-N 1 3 332.488 2.541 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073828429 472885522 /nfs/dbraw/zinc/88/55/22/472885522.db2.gz NVALOORQXWIQNT-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073828429 472885528 /nfs/dbraw/zinc/88/55/28/472885528.db2.gz NVALOORQXWIQNT-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146680 472898383 /nfs/dbraw/zinc/89/83/83/472898383.db2.gz LYJTZFROFCHNCY-SJORKVTESA-N 1 3 342.487 2.992 20 0 EFADHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146680 472898386 /nfs/dbraw/zinc/89/83/86/472898386.db2.gz LYJTZFROFCHNCY-SJORKVTESA-N 1 3 342.487 2.992 20 0 EFADHO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000158211054 472908004 /nfs/dbraw/zinc/90/80/04/472908004.db2.gz MXQVAEDIYKGPLD-INIZCTEOSA-N 1 3 330.476 2.644 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1cccc(OC)c1 ZINC000134557209 472927731 /nfs/dbraw/zinc/92/77/31/472927731.db2.gz BWMLIJBBQYVVTF-AZUAARDMSA-N 1 3 347.503 2.727 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(CC)CCC[NH2+]1)c1cccc(OC)c1 ZINC000134557254 472928544 /nfs/dbraw/zinc/92/85/44/472928544.db2.gz BWMLIJBBQYVVTF-UYAOXDASSA-N 1 3 347.503 2.727 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000092587210 472943244 /nfs/dbraw/zinc/94/32/44/472943244.db2.gz QFPYWYLZJHXOJD-IYBDPMFKSA-N 1 3 342.487 2.884 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000107329067 472943623 /nfs/dbraw/zinc/94/36/23/472943623.db2.gz VZHQGLHJBDVGKK-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC000065470290 472949776 /nfs/dbraw/zinc/94/97/76/472949776.db2.gz PWGUMJDMWGDHQJ-GOSISDBHSA-N 1 3 346.519 2.771 20 0 EFADHO CN(CCNC(=O)NCC(C)(C)[NH+]1CCCCC1)Cc1ccccc1 ZINC000065541664 472971232 /nfs/dbraw/zinc/97/12/32/472971232.db2.gz WBISCYHXKJGARQ-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000065542387 472972283 /nfs/dbraw/zinc/97/22/83/472972283.db2.gz ILSYAQJSJPMJJP-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000065542387 472972290 /nfs/dbraw/zinc/97/22/90/472972290.db2.gz ILSYAQJSJPMJJP-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)COC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158960497 472984727 /nfs/dbraw/zinc/98/47/27/472984727.db2.gz BVIVWAVOMBLJHI-QUCCMNQESA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)COC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158960497 472984733 /nfs/dbraw/zinc/98/47/33/472984733.db2.gz BVIVWAVOMBLJHI-QUCCMNQESA-N 1 3 340.552 2.996 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134894108 472984908 /nfs/dbraw/zinc/98/49/08/472984908.db2.gz WVAZCPFYEUILPY-OXQOHEQNSA-N 1 3 337.467 2.977 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134894108 472984917 /nfs/dbraw/zinc/98/49/17/472984917.db2.gz WVAZCPFYEUILPY-OXQOHEQNSA-N 1 3 337.467 2.977 20 0 EFADHO C[C@@H](C(=O)NC(C)(C)C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821240 472991230 /nfs/dbraw/zinc/99/12/30/472991230.db2.gz ORHJJIZHHHARGE-INIZCTEOSA-N 1 3 346.519 2.923 20 0 EFADHO CCOC(=O)CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821264 472992014 /nfs/dbraw/zinc/99/20/14/472992014.db2.gz SFHPCFVCYCROQS-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO CCOC(=O)CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821264 472992020 /nfs/dbraw/zinc/99/20/20/472992020.db2.gz SFHPCFVCYCROQS-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO CN(C)CC(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000065624259 472994735 /nfs/dbraw/zinc/99/47/35/472994735.db2.gz HSMPBJFIUYJJCD-UHFFFAOYSA-N 1 3 344.459 2.525 20 0 EFADHO CC(C)=C[C@@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000050800343 473011059 /nfs/dbraw/zinc/01/10/59/473011059.db2.gz AIRXBVYWMCBWKT-MOPGFXCFSA-N 1 3 347.547 2.900 20 0 EFADHO CCCc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797032 473011379 /nfs/dbraw/zinc/01/13/79/473011379.db2.gz AXLROMAQCSZREL-UHFFFAOYSA-N 1 3 343.515 2.928 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc([S@](C)=O)cc2)cc1 ZINC000080344204 473017530 /nfs/dbraw/zinc/01/75/30/473017530.db2.gz HTMRZWGHCNJTAC-XMMPIXPASA-N 1 3 346.496 2.654 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H](C)C2)CC1 ZINC000051150309 473027900 /nfs/dbraw/zinc/02/79/00/473027900.db2.gz KMDJELGEVBPCFT-QGZVFWFLSA-N 1 3 343.515 2.808 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000108550886 473040067 /nfs/dbraw/zinc/04/00/67/473040067.db2.gz VYXGREOQJZDSDI-IBGZPJMESA-N 1 3 346.519 2.669 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)CC(C)C ZINC000066176894 473054529 /nfs/dbraw/zinc/05/45/29/473054529.db2.gz UUTFBOXLEIIBHT-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000080671130 473065973 /nfs/dbraw/zinc/06/59/73/473065973.db2.gz BXBXDUDKNATTCC-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)CCCCc2ccccc2)CC1 ZINC000052037207 473081839 /nfs/dbraw/zinc/08/18/39/473081839.db2.gz KJDXOMRLBBGLGB-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122998831 473085428 /nfs/dbraw/zinc/08/54/28/473085428.db2.gz CIQGMKKUTLQJIU-OAGGEKHMSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122998831 473085434 /nfs/dbraw/zinc/08/54/34/473085434.db2.gz CIQGMKKUTLQJIU-OAGGEKHMSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000122998831 473085440 /nfs/dbraw/zinc/08/54/40/473085440.db2.gz CIQGMKKUTLQJIU-OAGGEKHMSA-N 1 3 325.497 2.754 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000093592292 473121802 /nfs/dbraw/zinc/12/18/02/473121802.db2.gz JPAUEENJOIGEEW-UHFFFAOYSA-N 1 3 345.531 2.813 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000075200572 473149904 /nfs/dbraw/zinc/14/99/04/473149904.db2.gz ANEMEQBMBMKHIY-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000075200572 473149911 /nfs/dbraw/zinc/14/99/11/473149911.db2.gz ANEMEQBMBMKHIY-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000093840067 473150614 /nfs/dbraw/zinc/15/06/14/473150614.db2.gz OLPAXODKTLAYQL-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCOC1)C1CCN(C)CC1 ZINC000093840067 473150619 /nfs/dbraw/zinc/15/06/19/473150619.db2.gz OLPAXODKTLAYQL-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO Cc1nccn1CCCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000136312687 473151533 /nfs/dbraw/zinc/15/15/33/473151533.db2.gz YHMARIDYSPQNDR-INIZCTEOSA-N 1 3 328.460 2.561 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000123605615 473164784 /nfs/dbraw/zinc/16/47/84/473164784.db2.gz VUAZHHXTYJAKDW-UHFFFAOYSA-N 1 3 329.410 2.865 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000110650318 473168907 /nfs/dbraw/zinc/16/89/07/473168907.db2.gz DGHICGHBGCHCPV-GFCCVEGCSA-N 1 3 327.266 2.887 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000081409620 473196379 /nfs/dbraw/zinc/19/63/79/473196379.db2.gz PSBAZWGTROZJQX-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000081408166 473196948 /nfs/dbraw/zinc/19/69/48/473196948.db2.gz PSBAZWGTROZJQX-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cccc(F)c2)CC1 ZINC000150992780 473393280 /nfs/dbraw/zinc/39/32/80/473393280.db2.gz SKSVZLNITWBIGF-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000113514388 473399268 /nfs/dbraw/zinc/39/92/68/473399268.db2.gz IKDMSCNXUVTUJO-AEFFLSMTSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000113514388 473399274 /nfs/dbraw/zinc/39/92/74/473399274.db2.gz IKDMSCNXUVTUJO-AEFFLSMTSA-N 1 3 334.504 2.607 20 0 EFADHO CN(c1ccccc1C[NH2+]CC1CCOCC1)C1CCN(C)CC1 ZINC000177570919 473400143 /nfs/dbraw/zinc/40/01/43/473400143.db2.gz VUMHZAJFVHWJFD-UHFFFAOYSA-N 1 3 331.504 2.733 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096207 473407683 /nfs/dbraw/zinc/40/76/83/473407683.db2.gz CTGURAFDQASYAU-UONOGXRCSA-N 1 3 338.883 2.774 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096207 473407687 /nfs/dbraw/zinc/40/76/87/473407687.db2.gz CTGURAFDQASYAU-UONOGXRCSA-N 1 3 338.883 2.774 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096207 473407692 /nfs/dbraw/zinc/40/76/92/473407692.db2.gz CTGURAFDQASYAU-UONOGXRCSA-N 1 3 338.883 2.774 20 0 EFADHO CN(CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000177736600 473426350 /nfs/dbraw/zinc/42/63/50/473426350.db2.gz CSWUQLWXOLBWKX-YQQQUEKLSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000163494037 473449361 /nfs/dbraw/zinc/44/93/61/473449361.db2.gz NHZLDBYTMSYANH-KRWDZBQOSA-N 1 3 347.503 2.680 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163494037 473449368 /nfs/dbraw/zinc/44/93/68/473449368.db2.gz NHZLDBYTMSYANH-KRWDZBQOSA-N 1 3 347.503 2.680 20 0 EFADHO CCS[C@H]1CCCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114458690 473468326 /nfs/dbraw/zinc/46/83/26/473468326.db2.gz QLAWREIJJGCCLK-KRWDZBQOSA-N 1 3 341.565 2.583 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000114454188 473468696 /nfs/dbraw/zinc/46/86/96/473468696.db2.gz ZZCRTFNNSDQTRL-HXUWFJFHSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC000164649624 473495111 /nfs/dbraw/zinc/49/51/11/473495111.db2.gz RNYOQUVXFXJWCV-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719548 473497361 /nfs/dbraw/zinc/49/73/61/473497361.db2.gz QVMKVZKGEBVFLR-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719548 473497368 /nfs/dbraw/zinc/49/73/68/473497368.db2.gz QVMKVZKGEBVFLR-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719548 473497378 /nfs/dbraw/zinc/49/73/78/473497378.db2.gz QVMKVZKGEBVFLR-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC[C@H]2CC)[C@@H](C)C1 ZINC000164866000 473499699 /nfs/dbraw/zinc/49/96/99/473499699.db2.gz CZRRXEZJVQQIRD-XUVXKRRUSA-N 1 3 339.568 2.978 20 0 EFADHO COc1ccc2oc(CNCCN3CCC([NH+](C)C)CC3)cc2c1 ZINC000126356079 473510465 /nfs/dbraw/zinc/51/04/65/473510465.db2.gz YWGJLSVOQRJMIZ-UHFFFAOYSA-N 1 3 331.460 2.557 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000165723172 473515495 /nfs/dbraw/zinc/51/54/95/473515495.db2.gz FUCMKVOTEWVXNQ-MOPGFXCFSA-N 1 3 329.488 2.575 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165919213 473517481 /nfs/dbraw/zinc/51/74/81/473517481.db2.gz WINNTKLMZWVZBY-XHDPSFHLSA-N 1 3 327.856 2.592 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165919096 473518148 /nfs/dbraw/zinc/51/81/48/473518148.db2.gz WINNTKLMZWVZBY-IAQYHMDHSA-N 1 3 327.856 2.592 20 0 EFADHO CN(CCNC(=O)CC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000165930182 473518460 /nfs/dbraw/zinc/51/84/60/473518460.db2.gz RZMPCALUEJLHGY-IBGZPJMESA-N 1 3 325.456 2.715 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2ccc(OC)cc21 ZINC000165939513 473518636 /nfs/dbraw/zinc/51/86/36/473518636.db2.gz GCRHZRYSUABCLV-WMZOPIPTSA-N 1 3 336.476 2.855 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000165982083 473519279 /nfs/dbraw/zinc/51/92/79/473519279.db2.gz HYXAAHVGLUUZOH-HOJAQTOUSA-N 1 3 333.520 2.768 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000165991223 473520674 /nfs/dbraw/zinc/52/06/74/473520674.db2.gz BJAOKIZEKKBYIL-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000166254110 473522809 /nfs/dbraw/zinc/52/28/09/473522809.db2.gz AVZUHDSLPSKALF-FQEVSTJZSA-N 1 3 333.495 2.762 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000168508764 473542387 /nfs/dbraw/zinc/54/23/87/473542387.db2.gz GKXAUXPBZGJCFO-IEBWSBKVSA-N 1 3 331.504 2.886 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515501 473542907 /nfs/dbraw/zinc/54/29/07/473542907.db2.gz MHZPWBDHWBCVEH-CGTJXYLNSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515501 473542915 /nfs/dbraw/zinc/54/29/15/473542915.db2.gz MHZPWBDHWBCVEH-CGTJXYLNSA-N 1 3 349.544 2.578 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000178698447 473545258 /nfs/dbraw/zinc/54/52/58/473545258.db2.gz DZHQWJVNALEVBF-RBUKOAKNSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@H](C)C1CCCCC1 ZINC000168925051 473545778 /nfs/dbraw/zinc/54/57/78/473545778.db2.gz FSNVIISBAMJYFC-RBUKOAKNSA-N 1 3 339.568 2.571 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000191568031 473555284 /nfs/dbraw/zinc/55/52/84/473555284.db2.gz UHYFWVPNMYOXLG-HXUWFJFHSA-N 1 3 330.520 2.589 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000191568031 473555289 /nfs/dbraw/zinc/55/52/89/473555289.db2.gz UHYFWVPNMYOXLG-HXUWFJFHSA-N 1 3 330.520 2.589 20 0 EFADHO C[C@H](N)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000178843081 473575321 /nfs/dbraw/zinc/57/53/21/473575321.db2.gz OLRJYVJGCGSCAL-KRWDZBQOSA-N 1 3 325.456 2.542 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H](CN)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000178857518 473579242 /nfs/dbraw/zinc/57/92/42/473579242.db2.gz FGQFLBDOFCYCKZ-PXNSSMCTSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H](CN)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000178857518 473579247 /nfs/dbraw/zinc/57/92/47/473579247.db2.gz FGQFLBDOFCYCKZ-PXNSSMCTSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191837862 473581391 /nfs/dbraw/zinc/58/13/91/473581391.db2.gz BMORACGVMCHPGS-JYRKZWEQSA-N 1 3 345.531 2.596 20 0 EFADHO CC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000152848193 473597080 /nfs/dbraw/zinc/59/70/80/473597080.db2.gz WPWFYEUKTLRFRB-LJQANCHMSA-N 1 3 325.456 2.769 20 0 EFADHO FC(F)(F)c1cccc(CN2CCN(CC3CC[NH2+]CC3)CC2)c1 ZINC000178977908 473602863 /nfs/dbraw/zinc/60/28/63/473602863.db2.gz RWTBQILHKOQWIA-UHFFFAOYSA-N 1 3 341.421 2.823 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[N@@H+]3CCCO[C@H](C)C3)c2)CCCO1 ZINC000170764539 473607135 /nfs/dbraw/zinc/60/71/35/473607135.db2.gz XLOWOLPWDKYFEP-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[N@H+]3CCCO[C@H](C)C3)c2)CCCO1 ZINC000170764539 473607139 /nfs/dbraw/zinc/60/71/39/473607139.db2.gz XLOWOLPWDKYFEP-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO CCN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000127508993 473620503 /nfs/dbraw/zinc/62/05/03/473620503.db2.gz GJDWIUOTQRHECZ-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)N1CCCC1 ZINC000153369952 473621363 /nfs/dbraw/zinc/62/13/63/473621363.db2.gz VHPJQIOBTGHOOT-WDSOQIARSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@@H]1C)N1CCCC1 ZINC000153369952 473621367 /nfs/dbraw/zinc/62/13/67/473621367.db2.gz VHPJQIOBTGHOOT-WDSOQIARSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCCC1 ZINC000153369952 473621371 /nfs/dbraw/zinc/62/13/71/473621371.db2.gz VHPJQIOBTGHOOT-WDSOQIARSA-N 1 3 331.504 2.762 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000127856900 473658191 /nfs/dbraw/zinc/65/81/91/473658191.db2.gz PDKPLNBGRYXXJN-GOSISDBHSA-N 1 3 334.508 2.524 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154094839 473667007 /nfs/dbraw/zinc/66/70/07/473667007.db2.gz KEHIWZLKGHUQFM-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186457242 473676319 /nfs/dbraw/zinc/67/63/19/473676319.db2.gz LLBPRIFSMMADHA-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)C3CCN(C)CC3)c2)CC1 ZINC000172739809 473678168 /nfs/dbraw/zinc/67/81/68/473678168.db2.gz QTLSHXKLFOVCCX-UHFFFAOYSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000192483394 473684598 /nfs/dbraw/zinc/68/45/98/473684598.db2.gz IAPCJPTXBOYGAD-FPOVZHCZSA-N 1 3 345.531 2.599 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000192745604 473717205 /nfs/dbraw/zinc/71/72/05/473717205.db2.gz UYSRBWHIPOBWRE-OAQYLSRUSA-N 1 3 329.532 2.967 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000192745604 473717212 /nfs/dbraw/zinc/71/72/12/473717212.db2.gz UYSRBWHIPOBWRE-OAQYLSRUSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@H]1COCCN1CCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000192744517 473717452 /nfs/dbraw/zinc/71/74/52/473717452.db2.gz HCCHQSHCMPYNNI-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO C[C@H]1COCCN1CCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000192744517 473717463 /nfs/dbraw/zinc/71/74/63/473717463.db2.gz HCCHQSHCMPYNNI-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3ccnn3C)CC2)cc1 ZINC000192778439 473722866 /nfs/dbraw/zinc/72/28/66/473722866.db2.gz JSPWPRMTLPYQIP-MRXNPFEDSA-N 1 3 342.487 2.992 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000269207920 473732464 /nfs/dbraw/zinc/73/24/64/473732464.db2.gz QPLONELVMYMGBU-IBGZPJMESA-N 1 3 331.504 2.601 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245662397 473734315 /nfs/dbraw/zinc/73/43/15/473734315.db2.gz DIVAURVDOYIQMU-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245662397 473734325 /nfs/dbraw/zinc/73/43/25/473734325.db2.gz DIVAURVDOYIQMU-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269235973 473742901 /nfs/dbraw/zinc/74/29/01/473742901.db2.gz MOCZMUHXDRHUDC-QFBILLFUSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269235973 473742910 /nfs/dbraw/zinc/74/29/10/473742910.db2.gz MOCZMUHXDRHUDC-QFBILLFUSA-N 1 3 345.487 2.768 20 0 EFADHO NC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000269238259 473744382 /nfs/dbraw/zinc/74/43/82/473744382.db2.gz OULFTHQVXYLUHJ-HXUWFJFHSA-N 1 3 337.467 2.641 20 0 EFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000263282056 473746951 /nfs/dbraw/zinc/74/69/51/473746951.db2.gz SEQZSZXYAVNNMZ-KMOPNRPKSA-N 1 3 331.504 2.805 20 0 EFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000263282056 473746957 /nfs/dbraw/zinc/74/69/57/473746957.db2.gz SEQZSZXYAVNNMZ-KMOPNRPKSA-N 1 3 331.504 2.805 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000269245009 473747362 /nfs/dbraw/zinc/74/73/62/473747362.db2.gz ZHUIPSGHOULLFN-MBOZVWFJSA-N 1 3 343.515 2.525 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000287748943 473750604 /nfs/dbraw/zinc/75/06/04/473750604.db2.gz CTKDBKPUCHIOLK-YQVWRLOYSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000287748943 473750611 /nfs/dbraw/zinc/75/06/11/473750611.db2.gz CTKDBKPUCHIOLK-YQVWRLOYSA-N 1 3 346.519 2.661 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000192947924 473751054 /nfs/dbraw/zinc/75/10/54/473751054.db2.gz FFPKVNCGXCHDMR-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCCCS(C)(=O)=O)CC2)C1 ZINC000186855406 473769794 /nfs/dbraw/zinc/76/97/94/473769794.db2.gz RCYNAJVIJGAJAT-AEFFLSMTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCCCS(C)(=O)=O)CC2)C1 ZINC000186855406 473769799 /nfs/dbraw/zinc/76/97/99/473769799.db2.gz RCYNAJVIJGAJAT-AEFFLSMTSA-N 1 3 344.565 2.834 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193433326 473786356 /nfs/dbraw/zinc/78/63/56/473786356.db2.gz UKKLSOWIDMKSNG-INIZCTEOSA-N 1 3 340.895 2.743 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173319540 473806416 /nfs/dbraw/zinc/80/64/16/473806416.db2.gz BIILTTKZJDHUAT-QGZVFWFLSA-N 1 3 349.519 2.772 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269439377 473811755 /nfs/dbraw/zinc/81/17/55/473811755.db2.gz PYTZIEWSLHQCNY-SLYNCCJLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC(C)(C)C ZINC000180161080 473816347 /nfs/dbraw/zinc/81/63/47/473816347.db2.gz MSXVDSVRWCWDBU-XGXHKWSGSA-N 1 3 343.515 2.790 20 0 EFADHO COC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194035864 473830336 /nfs/dbraw/zinc/83/03/36/473830336.db2.gz GOTNAAPHQVNJCD-MSOLQXFVSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194035864 473830343 /nfs/dbraw/zinc/83/03/43/473830343.db2.gz GOTNAAPHQVNJCD-MSOLQXFVSA-N 1 3 340.895 2.854 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000246342525 473834646 /nfs/dbraw/zinc/83/46/46/473834646.db2.gz GZNJVJKRCJKPCV-BPQIPLTHSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000246342525 473834654 /nfs/dbraw/zinc/83/46/54/473834654.db2.gz GZNJVJKRCJKPCV-BPQIPLTHSA-N 1 3 349.519 2.626 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000246342525 473834663 /nfs/dbraw/zinc/83/46/63/473834663.db2.gz GZNJVJKRCJKPCV-BPQIPLTHSA-N 1 3 349.519 2.626 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000263760328 473837196 /nfs/dbraw/zinc/83/71/96/473837196.db2.gz XZLGKGQPBMOVRR-UHFFFAOYSA-N 1 3 349.544 2.828 20 0 EFADHO COC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000194068761 473837872 /nfs/dbraw/zinc/83/78/72/473837872.db2.gz FSAQFVJXOIROBN-GOSISDBHSA-N 1 3 339.911 2.643 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc2ncccc2c1 ZINC000274468171 473838678 /nfs/dbraw/zinc/83/86/78/473838678.db2.gz JEVRVBDBRUTFFR-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc2ncccc2c1 ZINC000274468171 473838686 /nfs/dbraw/zinc/83/86/86/473838686.db2.gz JEVRVBDBRUTFFR-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269630748 473849059 /nfs/dbraw/zinc/84/90/59/473849059.db2.gz HRMMASSKPNITGJ-TYPHKJRUSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269630748 473849064 /nfs/dbraw/zinc/84/90/64/473849064.db2.gz HRMMASSKPNITGJ-TYPHKJRUSA-N 1 3 344.499 2.513 20 0 EFADHO C[C@@H](CNC(=O)N(C)CCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000281827372 473851397 /nfs/dbraw/zinc/85/13/97/473851397.db2.gz KOQVXFHKQZUIDM-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCN(C)C1CC1 ZINC000274526607 473863607 /nfs/dbraw/zinc/86/36/07/473863607.db2.gz PNSVYGBSHCSWNO-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194231776 473863990 /nfs/dbraw/zinc/86/39/90/473863990.db2.gz KGSVEQPSHQWOTD-FQEVSTJZSA-N 1 3 329.488 2.871 20 0 EFADHO C=Cn1cc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)cn1 ZINC000194231906 473864331 /nfs/dbraw/zinc/86/43/31/473864331.db2.gz NRXBJTQNZBLZGM-UHFFFAOYSA-N 1 3 339.487 2.676 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2ccccc2C1 ZINC000246485281 473877569 /nfs/dbraw/zinc/87/75/69/473877569.db2.gz ROBMVFDDLDPFFN-MOPGFXCFSA-N 1 3 327.472 2.525 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1Cc2ccccc2C1 ZINC000246485281 473877575 /nfs/dbraw/zinc/87/75/75/473877575.db2.gz ROBMVFDDLDPFFN-MOPGFXCFSA-N 1 3 327.472 2.525 20 0 EFADHO CC(C)N1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000180461479 473883495 /nfs/dbraw/zinc/88/34/95/473883495.db2.gz SBUNXIUBUDDDGH-UHFFFAOYSA-N 1 3 331.382 2.942 20 0 EFADHO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288256176 473890908 /nfs/dbraw/zinc/89/09/08/473890908.db2.gz UPSLHZHTOWPDSN-APWZRJJASA-N 1 3 346.519 2.661 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000288288963 473898999 /nfs/dbraw/zinc/89/89/99/473898999.db2.gz WEDITGVZKJNUIL-APWZRJJASA-N 1 3 346.519 2.850 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C(N)=O)cc1 ZINC000263909978 473901358 /nfs/dbraw/zinc/90/13/58/473901358.db2.gz KHVNNEXRZYRFLM-UHFFFAOYSA-N 1 3 325.456 2.869 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000246577423 473905848 /nfs/dbraw/zinc/90/58/48/473905848.db2.gz ZQHHUSLXYNJMOC-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000246577423 473905855 /nfs/dbraw/zinc/90/58/55/473905855.db2.gz ZQHHUSLXYNJMOC-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000288360404 473920543 /nfs/dbraw/zinc/92/05/43/473920543.db2.gz KPXMJIXWFYRZNK-XLIONFOSSA-N 1 3 341.499 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)[NH+](C)C ZINC000288394712 473930786 /nfs/dbraw/zinc/93/07/86/473930786.db2.gz SFRDZUKVPBVPJB-ROUUACIJSA-N 1 3 335.492 2.533 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282108179 473948327 /nfs/dbraw/zinc/94/83/27/473948327.db2.gz AABIMQJFKGLDEB-MRXNPFEDSA-N 1 3 349.519 2.689 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000613661904 480071851 /nfs/dbraw/zinc/07/18/51/480071851.db2.gz WUNKWNCQLRXEAE-RTBURBONSA-N 1 3 329.488 2.885 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282143629 473960518 /nfs/dbraw/zinc/96/05/18/473960518.db2.gz CGUMOMPOKQRXQF-KRWDZBQOSA-N 1 3 333.520 2.989 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000274793428 473962962 /nfs/dbraw/zinc/96/29/62/473962962.db2.gz YUKCCAAFLFJINY-MRXNPFEDSA-N 1 3 346.519 2.934 20 0 EFADHO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274801358 473965317 /nfs/dbraw/zinc/96/53/17/473965317.db2.gz VHSHIAGKEFUGPK-NUEKZKHPSA-N 1 3 330.394 2.800 20 0 EFADHO c1ccc2c(c1)[nH]c1c2C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000282163367 473967213 /nfs/dbraw/zinc/96/72/13/473967213.db2.gz DMPFYEPVZUYRMT-RDJZCZTQSA-N 1 3 339.483 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246806950 473967904 /nfs/dbraw/zinc/96/79/04/473967904.db2.gz BCHIFBIDVAPMRZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246806950 473967914 /nfs/dbraw/zinc/96/79/14/473967914.db2.gz BCHIFBIDVAPMRZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@@H](C)C1 ZINC000246817648 473972243 /nfs/dbraw/zinc/97/22/43/473972243.db2.gz BBACCOBFAOLVHL-IRXDYDNUSA-N 1 3 325.566 2.668 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000288577348 473985811 /nfs/dbraw/zinc/98/58/11/473985811.db2.gz BWEQQEKZVLBRGR-UHFFFAOYSA-N 1 3 332.536 2.601 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000288577348 473985817 /nfs/dbraw/zinc/98/58/17/473985817.db2.gz BWEQQEKZVLBRGR-UHFFFAOYSA-N 1 3 332.536 2.601 20 0 EFADHO COc1ccc2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)ccc2c1 ZINC000282235763 473991613 /nfs/dbraw/zinc/99/16/13/473991613.db2.gz FUQNVUAFXHZMMQ-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1(C)C ZINC000282280881 474006234 /nfs/dbraw/zinc/00/62/34/474006234.db2.gz KZGOSAONYIJTAH-QGZVFWFLSA-N 1 3 335.467 2.655 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000246936977 474008488 /nfs/dbraw/zinc/00/84/88/474008488.db2.gz GTZKVCWVEVQMJG-FTRWYGJKSA-N 1 3 347.503 2.602 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@@H](C)C1 ZINC000246936977 474008493 /nfs/dbraw/zinc/00/84/93/474008493.db2.gz GTZKVCWVEVQMJG-FTRWYGJKSA-N 1 3 347.503 2.602 20 0 EFADHO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274930873 474017948 /nfs/dbraw/zinc/01/79/48/474017948.db2.gz QVSZOBDVCGJUJB-SXLOBPIMSA-N 1 3 347.572 2.924 20 0 EFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000282313965 474018613 /nfs/dbraw/zinc/01/86/13/474018613.db2.gz UALUBFBDBCPMSE-TZIWHRDSSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000246975670 474022045 /nfs/dbraw/zinc/02/20/45/474022045.db2.gz IQVADGMGPYJXQV-UMGGQSCQSA-N 1 3 330.520 2.754 20 0 EFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000282347707 474031078 /nfs/dbraw/zinc/03/10/78/474031078.db2.gz PBWMMGQKAOAEFO-QGZVFWFLSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000247056774 474051194 /nfs/dbraw/zinc/05/11/94/474051194.db2.gz NOQITJROMKWIST-DOEOUOAPSA-N 1 3 346.519 2.514 20 0 EFADHO O=C(NC1CCN(Cc2ccccc2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000195327008 474058522 /nfs/dbraw/zinc/05/85/22/474058522.db2.gz COJVNNYOLOWVII-UHFFFAOYSA-N 1 3 341.499 2.642 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccccc2N(C)C)[C@@H](C)C1 ZINC000247082832 474058925 /nfs/dbraw/zinc/05/89/25/474058925.db2.gz DDFOFNLTDYHTLC-HKUYNNGSSA-N 1 3 333.520 2.979 20 0 EFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195330941 474060424 /nfs/dbraw/zinc/06/04/24/474060424.db2.gz RXERVMKCYRPCEW-FQEVSTJZSA-N 1 3 341.499 2.814 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000264660889 474079724 /nfs/dbraw/zinc/07/97/24/474079724.db2.gz VQSXUZOXNPVSFC-PJHKVULZSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000282492805 474085843 /nfs/dbraw/zinc/08/58/43/474085843.db2.gz XPQNQINFJIJZEW-CQSZACIVSA-N 1 3 341.446 2.965 20 0 EFADHO COCCC[NH+]1CCC(N[C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182049683 474089485 /nfs/dbraw/zinc/08/94/85/474089485.db2.gz CFMIHEPTOIDZTK-OAHLLOKOSA-N 1 3 333.476 2.797 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182060727 474090733 /nfs/dbraw/zinc/09/07/33/474090733.db2.gz WGWMHRBYVBBWSP-VQIMIIECSA-N 1 3 349.494 2.903 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247228663 474094532 /nfs/dbraw/zinc/09/45/32/474094532.db2.gz WUQQJXNMNSPLCU-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247228663 474094536 /nfs/dbraw/zinc/09/45/36/474094536.db2.gz WUQQJXNMNSPLCU-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000282522458 474096604 /nfs/dbraw/zinc/09/66/04/474096604.db2.gz YHJSKFASRIMBHN-UHFFFAOYSA-N 1 3 329.410 2.821 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)C1C[C@@H](c2ccccc2)OC1=O ZINC000289058820 474133805 /nfs/dbraw/zinc/13/38/05/474133805.db2.gz IZXWLZBGGGQZNA-MSOLQXFVSA-N 1 3 344.455 2.673 20 0 EFADHO CC1(C)[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@H]2CCCO[C@@H]21 ZINC000182263936 474135836 /nfs/dbraw/zinc/13/58/36/474135836.db2.gz LEMBOBYGCJNNAV-YRPNKDGESA-N 1 3 344.499 2.546 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000289099853 474149267 /nfs/dbraw/zinc/14/92/67/474149267.db2.gz CBZAMEDQNRGBKA-IKGGRYGDSA-N 1 3 346.471 2.773 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCCC1CC[NH+](C)CC1 ZINC000282700004 474160589 /nfs/dbraw/zinc/16/05/89/474160589.db2.gz QAQWLPXUKQKRKW-UHFFFAOYSA-N 1 3 327.476 2.706 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000270544301 474164346 /nfs/dbraw/zinc/16/43/46/474164346.db2.gz YJBZRKFCCYXNHH-IPMKNSEASA-N 1 3 330.472 2.674 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223376486 474183754 /nfs/dbraw/zinc/18/37/54/474183754.db2.gz GNYLVRVLLXNQJM-INIZCTEOSA-N 1 3 325.497 2.848 20 0 EFADHO CCC(CC)(CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@H](C)c1ccccc1 ZINC000188770218 474189536 /nfs/dbraw/zinc/18/95/36/474189536.db2.gz NWFCRLBUTJBFBC-HYVNUMGLSA-N 1 3 335.467 2.712 20 0 EFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000282780639 474192032 /nfs/dbraw/zinc/19/20/32/474192032.db2.gz POEJVGLXIVNTQX-VQTJNVASSA-N 1 3 344.499 2.692 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)COCc1ccccc1F ZINC000247642865 474193452 /nfs/dbraw/zinc/19/34/52/474193452.db2.gz TWYJWPPXWYMGML-QZTJIDSGSA-N 1 3 338.467 2.509 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccccc1F ZINC000247642865 474193460 /nfs/dbraw/zinc/19/34/60/474193460.db2.gz TWYJWPPXWYMGML-QZTJIDSGSA-N 1 3 338.467 2.509 20 0 EFADHO COc1cccc(C2([NH2+]CCCN3CCN(C(C)C)CC3)CC2)c1 ZINC000282850265 474218564 /nfs/dbraw/zinc/21/85/64/474218564.db2.gz BEXUTZODZVENJB-UHFFFAOYSA-N 1 3 331.504 2.690 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000247889461 474221728 /nfs/dbraw/zinc/22/17/28/474221728.db2.gz DXUOPRJUSDOTSZ-XUVXKRRUSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)c1C ZINC000247889461 474221732 /nfs/dbraw/zinc/22/17/32/474221732.db2.gz DXUOPRJUSDOTSZ-XUVXKRRUSA-N 1 3 346.515 2.768 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000175464261 474226369 /nfs/dbraw/zinc/22/63/69/474226369.db2.gz PWCMJVUHPOLNSL-SJORKVTESA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C)N(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000175464261 474226378 /nfs/dbraw/zinc/22/63/78/474226378.db2.gz PWCMJVUHPOLNSL-SJORKVTESA-N 1 3 346.519 2.679 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 ZINC000182677222 474230924 /nfs/dbraw/zinc/23/09/24/474230924.db2.gz LZIHHCIMHKDMIM-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175487124 474232746 /nfs/dbraw/zinc/23/27/46/474232746.db2.gz MDJDQRJMCMAYOD-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175487124 474232753 /nfs/dbraw/zinc/23/27/53/474232753.db2.gz MDJDQRJMCMAYOD-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)oc1C ZINC000247961993 474233791 /nfs/dbraw/zinc/23/37/91/474233791.db2.gz GJHAYYFXFACMTM-SPYBWZPUSA-N 1 3 348.535 2.822 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCN2CCCC2)CC1 ZINC000182691507 474234525 /nfs/dbraw/zinc/23/45/25/474234525.db2.gz FEZAOMUNWMSOMJ-MRXNPFEDSA-N 1 3 325.497 2.852 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248033153 474248613 /nfs/dbraw/zinc/24/86/13/474248613.db2.gz KPECNELXDHQIMZ-IAGOWNOFSA-N 1 3 331.508 2.668 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248033153 474248619 /nfs/dbraw/zinc/24/86/19/474248619.db2.gz KPECNELXDHQIMZ-IAGOWNOFSA-N 1 3 331.508 2.668 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)[C@@H](C)C1 ZINC000248068477 474254709 /nfs/dbraw/zinc/25/47/09/474254709.db2.gz MIXZRHFYDUYHMR-HNAYVOBHSA-N 1 3 348.535 2.823 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N1CCN(C2CCCC2)CC1 ZINC000275626054 474257677 /nfs/dbraw/zinc/25/76/77/474257677.db2.gz JYIWGMIUUHPRBT-UHFFFAOYSA-N 1 3 344.503 2.883 20 0 EFADHO CSc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289434963 474269193 /nfs/dbraw/zinc/26/91/93/474269193.db2.gz LGCOMSBCYNOAAD-UHFFFAOYSA-N 1 3 333.545 2.868 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275658680 474270041 /nfs/dbraw/zinc/27/00/41/474270041.db2.gz NTXZTCKOGIYIRX-MRXNPFEDSA-N 1 3 332.492 2.596 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275658680 474270047 /nfs/dbraw/zinc/27/00/47/474270047.db2.gz NTXZTCKOGIYIRX-MRXNPFEDSA-N 1 3 332.492 2.596 20 0 EFADHO [O-]c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000289444297 474273706 /nfs/dbraw/zinc/27/37/06/474273706.db2.gz GIVYGVYGXZTUHP-OAHLLOKOSA-N 1 3 346.393 2.738 20 0 EFADHO [O-]c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000289444297 474273713 /nfs/dbraw/zinc/27/37/13/474273713.db2.gz GIVYGVYGXZTUHP-OAHLLOKOSA-N 1 3 346.393 2.738 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)CC1 ZINC000236636531 474276423 /nfs/dbraw/zinc/27/64/23/474276423.db2.gz XDHGOJGYVVGYFO-IBGZPJMESA-N 1 3 345.487 2.626 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C1CC[NH2+]CC1 ZINC000236673762 474279819 /nfs/dbraw/zinc/27/98/19/474279819.db2.gz NHPGYFPFMVNBQD-IBGZPJMESA-N 1 3 343.515 2.575 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000289465169 474282186 /nfs/dbraw/zinc/28/21/86/474282186.db2.gz AHFMTRRUVLUYIE-GBESFXJTSA-N 1 3 329.488 2.636 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000236709304 474282435 /nfs/dbraw/zinc/28/24/35/474282435.db2.gz PHXFYZKSNOCYRE-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 ZINC000236709304 474282444 /nfs/dbraw/zinc/28/24/44/474282444.db2.gz PHXFYZKSNOCYRE-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)/C=C/CN(C)C)CCCC1)c1ccccc1 ZINC000265659669 474286974 /nfs/dbraw/zinc/28/69/74/474286974.db2.gz DHJZNHLCRNOAFF-XLNAKTSKSA-N 1 3 329.488 2.884 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265664645 474288261 /nfs/dbraw/zinc/28/82/61/474288261.db2.gz CMUJNGOMFWRSJW-BHIYHBOVSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265664645 474288266 /nfs/dbraw/zinc/28/82/66/474288266.db2.gz CMUJNGOMFWRSJW-BHIYHBOVSA-N 1 3 329.488 2.592 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000189095659 474288982 /nfs/dbraw/zinc/28/89/82/474288982.db2.gz JPIHYYBNONJNCC-SFHVURJKSA-N 1 3 334.508 2.581 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069016 474290315 /nfs/dbraw/zinc/29/03/15/474290315.db2.gz JZHDIYKLOLVKOU-UYAOXDASSA-N 1 3 343.515 2.955 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069016 474290316 /nfs/dbraw/zinc/29/03/16/474290316.db2.gz JZHDIYKLOLVKOU-UYAOXDASSA-N 1 3 343.515 2.955 20 0 EFADHO Cc1nn(C)c2ncc(CNCCCC[NH+]3CCC(C)CC3)cc12 ZINC000236843398 474292778 /nfs/dbraw/zinc/29/27/78/474292778.db2.gz FOFWXLFRPICULI-UHFFFAOYSA-N 1 3 329.492 2.878 20 0 EFADHO CCOc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289489809 474293134 /nfs/dbraw/zinc/29/31/34/474293134.db2.gz RJXPBKMNGPBEHA-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000236908829 474301732 /nfs/dbraw/zinc/30/17/32/474301732.db2.gz QNAKZAWWLZYRGW-HXUWFJFHSA-N 1 3 339.483 2.715 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000236918529 474303490 /nfs/dbraw/zinc/30/34/90/474303490.db2.gz OTGGXCQWZINADZ-HXUWFJFHSA-N 1 3 339.483 2.887 20 0 EFADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403004 474308757 /nfs/dbraw/zinc/30/87/57/474308757.db2.gz NZIZQJHNODFGBC-XUVXKRRUSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403004 474308762 /nfs/dbraw/zinc/30/87/62/474308762.db2.gz NZIZQJHNODFGBC-XUVXKRRUSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403004 474308770 /nfs/dbraw/zinc/30/87/70/474308770.db2.gz NZIZQJHNODFGBC-XUVXKRRUSA-N 1 3 343.515 2.793 20 0 EFADHO CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289536011 474312974 /nfs/dbraw/zinc/31/29/74/474312974.db2.gz WJVIEPDMGHXTHM-UHFFFAOYSA-N 1 3 337.483 2.682 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)/C=C/CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000265733554 474313372 /nfs/dbraw/zinc/31/33/72/474313372.db2.gz RPOCUQAKVDSDIQ-ZNOOQZCJSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)/C=C/CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000265733554 474313379 /nfs/dbraw/zinc/31/33/79/474313379.db2.gz RPOCUQAKVDSDIQ-ZNOOQZCJSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000248429817 474320905 /nfs/dbraw/zinc/32/09/05/474320905.db2.gz BMLNXMJYSUEGFH-JXFKEZNVSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000248429817 474320912 /nfs/dbraw/zinc/32/09/12/474320912.db2.gz BMLNXMJYSUEGFH-JXFKEZNVSA-N 1 3 325.456 2.889 20 0 EFADHO CN(CCCc1ccc2c(c1)CCO2)CC[N@H+](C)C1CCN(C)CC1 ZINC000289560002 474322717 /nfs/dbraw/zinc/32/27/17/474322717.db2.gz YLSSRUTWGVVLJD-UHFFFAOYSA-N 1 3 345.531 2.512 20 0 EFADHO CN(CCCc1ccc2c(c1)CCO2)CC[N@@H+](C)C1CCN(C)CC1 ZINC000289560002 474322722 /nfs/dbraw/zinc/32/27/22/474322722.db2.gz YLSSRUTWGVVLJD-UHFFFAOYSA-N 1 3 345.531 2.512 20 0 EFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@H]2CCCO[C@H]21 ZINC000248443036 474324925 /nfs/dbraw/zinc/32/49/25/474324925.db2.gz LEMBOBYGCJNNAV-MTQWCTHYSA-N 1 3 344.499 2.546 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C[C@H]1OC ZINC000248460988 474331750 /nfs/dbraw/zinc/33/17/50/474331750.db2.gz WZWWRZFCLSNXQH-VAMGGRTRSA-N 1 3 346.515 2.937 20 0 EFADHO Cc1c[nH]nc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000289578797 474332368 /nfs/dbraw/zinc/33/23/68/474332368.db2.gz SJJZXSQFPIVOCO-UHFFFAOYSA-N 1 3 328.460 2.525 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132260 474334838 /nfs/dbraw/zinc/33/48/38/474334838.db2.gz KDEIQCKENJLRKN-SLFFLAALSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132260 474334843 /nfs/dbraw/zinc/33/48/43/474334843.db2.gz KDEIQCKENJLRKN-SLFFLAALSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132260 474334850 /nfs/dbraw/zinc/33/48/50/474334850.db2.gz KDEIQCKENJLRKN-SLFFLAALSA-N 1 3 332.488 2.540 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2ccc(CN3CCCCC3)cc2)CCC1 ZINC000275852681 474341326 /nfs/dbraw/zinc/34/13/26/474341326.db2.gz IBXJHTVKQXKMPS-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCN(C)C1 ZINC000275851589 474341492 /nfs/dbraw/zinc/34/14/92/474341492.db2.gz XJBZWVYXZBXFPT-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000237138411 474345697 /nfs/dbraw/zinc/34/56/97/474345697.db2.gz BAQDEZVJPUFCJU-MOPGFXCFSA-N 1 3 325.456 2.804 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000248548705 474354163 /nfs/dbraw/zinc/35/41/63/474354163.db2.gz GWNNWWKWLFVKMD-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000248548705 474354168 /nfs/dbraw/zinc/35/41/68/474354168.db2.gz GWNNWWKWLFVKMD-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270988422 474354678 /nfs/dbraw/zinc/35/46/78/474354678.db2.gz DRXDPSZVOSRHSK-ZWKOTPCHSA-N 1 3 349.544 2.646 20 0 EFADHO COc1ccccc1[C@@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000283272099 474357463 /nfs/dbraw/zinc/35/74/63/474357463.db2.gz LNBQJLRUPNBPCH-LJQANCHMSA-N 1 3 345.531 2.901 20 0 EFADHO COc1ccccc1[C@@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000283272099 474357469 /nfs/dbraw/zinc/35/74/69/474357469.db2.gz LNBQJLRUPNBPCH-LJQANCHMSA-N 1 3 345.531 2.901 20 0 EFADHO C[C@H]1C[C@H](N(C)CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000265846569 474359962 /nfs/dbraw/zinc/35/99/62/474359962.db2.gz OYGMWGBBYCXXKX-FXAWDEMLSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H]1C[C@H](N(C)CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000265846569 474359973 /nfs/dbraw/zinc/35/99/73/474359973.db2.gz OYGMWGBBYCXXKX-FXAWDEMLSA-N 1 3 326.488 2.948 20 0 EFADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308904 474366975 /nfs/dbraw/zinc/36/69/75/474366975.db2.gz YVCHSEXKPCQSNY-RTBURBONSA-N 1 3 343.515 2.812 20 0 EFADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308904 474366981 /nfs/dbraw/zinc/36/69/81/474366981.db2.gz YVCHSEXKPCQSNY-RTBURBONSA-N 1 3 343.515 2.812 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237322428 474380676 /nfs/dbraw/zinc/38/06/76/474380676.db2.gz AKPGGJJOTZFDLP-SFHVURJKSA-N 1 3 349.544 2.615 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620534 474381396 /nfs/dbraw/zinc/38/13/96/474381396.db2.gz CIQGMKKUTLQJIU-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620534 474381398 /nfs/dbraw/zinc/38/13/98/474381398.db2.gz CIQGMKKUTLQJIU-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620534 474381400 /nfs/dbraw/zinc/38/14/00/474381400.db2.gz CIQGMKKUTLQJIU-OWCLPIDISA-N 1 3 325.497 2.754 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000289698369 474382197 /nfs/dbraw/zinc/38/21/97/474382197.db2.gz IMLIFZQUNFGWJX-KZNAEPCWSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000289698369 474382201 /nfs/dbraw/zinc/38/22/01/474382201.db2.gz IMLIFZQUNFGWJX-KZNAEPCWSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)s1 ZINC000289698369 474382207 /nfs/dbraw/zinc/38/22/07/474382207.db2.gz IMLIFZQUNFGWJX-KZNAEPCWSA-N 1 3 342.512 2.889 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916323 474383865 /nfs/dbraw/zinc/38/38/65/474383865.db2.gz APVFDUMOPGONOE-FXAWDEMLSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916323 474383872 /nfs/dbraw/zinc/38/38/72/474383872.db2.gz APVFDUMOPGONOE-FXAWDEMLSA-N 1 3 343.515 2.697 20 0 EFADHO COC1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271054137 474387022 /nfs/dbraw/zinc/38/70/22/474387022.db2.gz YLALMGKJBYIBJQ-UHFFFAOYSA-N 1 3 331.504 2.828 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289715755 474391799 /nfs/dbraw/zinc/39/17/99/474391799.db2.gz BVISWGFTZZORIK-HXUWFJFHSA-N 1 3 341.499 2.744 20 0 EFADHO C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237407082 474397347 /nfs/dbraw/zinc/39/73/47/474397347.db2.gz WFWSREYQUFRGDT-IERDGZPVSA-N 1 3 343.515 2.573 20 0 EFADHO C[C@@H](CC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000237426657 474402125 /nfs/dbraw/zinc/40/21/25/474402125.db2.gz AGZFVTCKJOCVCV-PKOBYXMFSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000237444424 474405139 /nfs/dbraw/zinc/40/51/39/474405139.db2.gz QUOPJMUCEYKVSC-KFKAGJAMSA-N 1 3 331.504 2.949 20 0 EFADHO COCCOCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000289743381 474406809 /nfs/dbraw/zinc/40/68/09/474406809.db2.gz NLIQJCSTWAGSBB-UHFFFAOYSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000237472548 474412431 /nfs/dbraw/zinc/41/24/31/474412431.db2.gz GMDNFQMUYYNCTE-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000237472548 474412436 /nfs/dbraw/zinc/41/24/36/474412436.db2.gz GMDNFQMUYYNCTE-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)C1CC[NH2+]CC1 ZINC000237473280 474412890 /nfs/dbraw/zinc/41/28/90/474412890.db2.gz DUDIVQHHXOBYAU-OAHLLOKOSA-N 1 3 333.476 2.591 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237476310 474413722 /nfs/dbraw/zinc/41/37/22/474413722.db2.gz ANCDAVWJLDPFCM-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237476310 474413725 /nfs/dbraw/zinc/41/37/25/474413725.db2.gz ANCDAVWJLDPFCM-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000237511568 474419201 /nfs/dbraw/zinc/41/92/01/474419201.db2.gz UIARPAJLCNIQDW-DOTOQJQBSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237527686 474422217 /nfs/dbraw/zinc/42/22/17/474422217.db2.gz BKTVZZHIDARJQU-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237530264 474423909 /nfs/dbraw/zinc/42/39/09/474423909.db2.gz LGOCJTOKBGTCTR-LPHOPBHVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237560414 474430269 /nfs/dbraw/zinc/43/02/69/474430269.db2.gz BKTVZZHIDARJQU-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000237601759 474438023 /nfs/dbraw/zinc/43/80/23/474438023.db2.gz RZBKALVSHOLZHY-SQGPQFPESA-N 1 3 343.515 2.668 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237600220 474438173 /nfs/dbraw/zinc/43/81/73/474438173.db2.gz COSNCBBAEPQVRA-JKSUJKDBSA-N 1 3 333.476 2.591 20 0 EFADHO C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C1CC1 ZINC000176328250 474441448 /nfs/dbraw/zinc/44/14/48/474441448.db2.gz KBFWQDVGQSDYEJ-HNNXBMFYSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237655297 474451610 /nfs/dbraw/zinc/45/16/10/474451610.db2.gz VUPBUAIBBUAJKK-XLIONFOSSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237714278 474462915 /nfs/dbraw/zinc/46/29/15/474462915.db2.gz FBAXKXMVPKMLQY-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237714278 474462918 /nfs/dbraw/zinc/46/29/18/474462918.db2.gz FBAXKXMVPKMLQY-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237728122 474466398 /nfs/dbraw/zinc/46/63/98/474466398.db2.gz DKAKSZRBCMYWMW-SJLPKXTDSA-N 1 3 329.488 2.593 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000283708020 474475577 /nfs/dbraw/zinc/47/55/77/474475577.db2.gz ZBPQLWSMHMAXLA-IBGZPJMESA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)CCC1OCCCO1 ZINC000271288676 474476847 /nfs/dbraw/zinc/47/68/47/474476847.db2.gz BTWFJKSRFKHQSP-UHFFFAOYSA-N 1 3 333.476 2.773 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)CCC1OCCCO1 ZINC000271288676 474476854 /nfs/dbraw/zinc/47/68/54/474476854.db2.gz BTWFJKSRFKHQSP-UHFFFAOYSA-N 1 3 333.476 2.773 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289905470 474478744 /nfs/dbraw/zinc/47/87/44/474478744.db2.gz NBZSAJWJLFDAEY-QFHJOOASSA-N 1 3 329.488 2.544 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000237823295 474482535 /nfs/dbraw/zinc/48/25/35/474482535.db2.gz AKRVPLGZNUKKNZ-UXHICEINSA-N 1 3 337.467 2.510 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000237892086 474495961 /nfs/dbraw/zinc/49/59/61/474495961.db2.gz WXOOIIMIDXJRQP-QZNYNHHHSA-N 1 3 341.499 2.860 20 0 EFADHO CC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000271333023 474496604 /nfs/dbraw/zinc/49/66/04/474496604.db2.gz AXTXOHQAHFHIIY-GOSISDBHSA-N 1 3 332.492 2.535 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)ccc1OCCN1CCCC1 ZINC000289944737 474497101 /nfs/dbraw/zinc/49/71/01/474497101.db2.gz OYHAAOXAZHGOLE-SJLPKXTDSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2(C[NH3+])CCCC2)N2CCCC2)cc1 ZINC000237915478 474501899 /nfs/dbraw/zinc/50/18/99/474501899.db2.gz XHYGMJJWIFKKNQ-SFHVURJKSA-N 1 3 329.488 2.767 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000276351508 474507559 /nfs/dbraw/zinc/50/75/59/474507559.db2.gz WOQSOZUPYHBSDT-UHFFFAOYSA-N 1 3 345.531 2.988 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176610647 474508349 /nfs/dbraw/zinc/50/83/49/474508349.db2.gz GZCLXBMEKDPCOK-RBUKOAKNSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(C)C(=O)CCNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189955717 474517554 /nfs/dbraw/zinc/51/75/54/474517554.db2.gz AFCLKHCPOLXPIQ-XEWABKELSA-N 1 3 331.504 2.601 20 0 EFADHO CCN(C)C(=O)CCNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189955717 474517559 /nfs/dbraw/zinc/51/75/59/474517559.db2.gz AFCLKHCPOLXPIQ-XEWABKELSA-N 1 3 331.504 2.601 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Cl)c(F)c1 ZINC000189976969 474524128 /nfs/dbraw/zinc/52/41/28/474524128.db2.gz BDPIBDUMJNXQPT-UHFFFAOYSA-N 1 3 327.875 2.937 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000266905744 474524539 /nfs/dbraw/zinc/52/45/39/474524539.db2.gz QZXGEYGBPRVKJI-PXNSSMCTSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000266905744 474524542 /nfs/dbraw/zinc/52/45/42/474524542.db2.gz QZXGEYGBPRVKJI-PXNSSMCTSA-N 1 3 343.515 2.840 20 0 EFADHO [NH3+][C@H]1CCC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000238040535 474525917 /nfs/dbraw/zinc/52/59/17/474525917.db2.gz JHGWNROIFHBDDY-HOTGVXAUSA-N 1 3 335.517 2.594 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000184509085 474532419 /nfs/dbraw/zinc/53/24/19/474532419.db2.gz ARSDNOBEVSCIQJ-JKSUJKDBSA-N 1 3 328.464 2.577 20 0 EFADHO O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(CN2CCCCC2)c1 ZINC000238096924 474534455 /nfs/dbraw/zinc/53/44/55/474534455.db2.gz QTQMIEWHQFEEAW-KRWDZBQOSA-N 1 3 333.501 2.706 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000290078074 474549964 /nfs/dbraw/zinc/54/99/64/474549964.db2.gz WKYUUAYWMYLAFL-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000249402240 474567256 /nfs/dbraw/zinc/56/72/56/474567256.db2.gz CHKRQXZLHOXSRZ-QFBILLFUSA-N 1 3 348.487 2.700 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245396575 474578518 /nfs/dbraw/zinc/57/85/18/474578518.db2.gz LTAIKBAAHGUHQV-SJLPKXTDSA-N 1 3 334.508 2.627 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245396575 474578524 /nfs/dbraw/zinc/57/85/24/474578524.db2.gz LTAIKBAAHGUHQV-SJLPKXTDSA-N 1 3 334.508 2.627 20 0 EFADHO CSC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000249493597 474580539 /nfs/dbraw/zinc/58/05/39/474580539.db2.gz YZXKGXCERMFYPV-OTWHNJEPSA-N 1 3 334.529 2.697 20 0 EFADHO CSC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000249493597 474580545 /nfs/dbraw/zinc/58/05/45/474580545.db2.gz YZXKGXCERMFYPV-OTWHNJEPSA-N 1 3 334.529 2.697 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000271798345 474593047 /nfs/dbraw/zinc/59/30/47/474593047.db2.gz IHACBLZZCLLFDM-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1CCCC1 ZINC000184743365 474599337 /nfs/dbraw/zinc/59/93/37/474599337.db2.gz WXYJUKDXGYSYFN-IAGOWNOFSA-N 1 3 343.515 2.791 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000284236590 474599828 /nfs/dbraw/zinc/59/98/28/474599828.db2.gz UXGDJSXEYJYTLS-FQEVSTJZSA-N 1 3 331.504 2.777 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284254731 474604169 /nfs/dbraw/zinc/60/41/69/474604169.db2.gz IRWREJKYQRHKEK-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267204548 474617412 /nfs/dbraw/zinc/61/74/12/474617412.db2.gz GLDUDMMRZIZEKO-UYAOXDASSA-N 1 3 331.504 2.524 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000267223676 474622868 /nfs/dbraw/zinc/62/28/68/474622868.db2.gz JNPCSLUMJGFLPT-KURKYZTESA-N 1 3 347.503 2.883 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000278395814 474631707 /nfs/dbraw/zinc/63/17/07/474631707.db2.gz ODBGUBIHKPXCOM-IBGZPJMESA-N 1 3 344.503 2.564 20 0 EFADHO CN1CC[C@H](CSc2nnc(SC[C@H]3CC[N@H+](C)C3)s2)C1 ZINC000251645010 474640530 /nfs/dbraw/zinc/64/05/30/474640530.db2.gz ILJOLJZRMFDYNY-RYUDHWBXSA-N 1 3 344.575 2.626 20 0 EFADHO CN1CC[C@H](CSc2nnc(SC[C@H]3CC[N@@H+](C)C3)s2)C1 ZINC000251645010 474640535 /nfs/dbraw/zinc/64/05/35/474640535.db2.gz ILJOLJZRMFDYNY-RYUDHWBXSA-N 1 3 344.575 2.626 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000251702774 474643748 /nfs/dbraw/zinc/64/37/48/474643748.db2.gz OFRJTWJIASQEBT-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000251702774 474643750 /nfs/dbraw/zinc/64/37/50/474643750.db2.gz OFRJTWJIASQEBT-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCO[C@@H](C[NH2+]C2CCN(C(C)C)CC2)[C@@H]1c1ccccc1 ZINC000284484960 474649240 /nfs/dbraw/zinc/64/92/40/474649240.db2.gz CGCDZABRALCAFF-SFTDATJTSA-N 1 3 345.531 2.911 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000252442433 474658971 /nfs/dbraw/zinc/65/89/71/474658971.db2.gz ZXVKEGKWWRRJAC-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000252442433 474658975 /nfs/dbraw/zinc/65/89/75/474658975.db2.gz ZXVKEGKWWRRJAC-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CO[C@H](CN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000284563689 474670299 /nfs/dbraw/zinc/67/02/99/474670299.db2.gz YLZGXMGKIVAUSZ-HXUWFJFHSA-N 1 3 332.488 2.951 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)c(C)c2)CC1 ZINC000273014849 474672473 /nfs/dbraw/zinc/67/24/73/474672473.db2.gz WCSAFIPWHVEXSS-HXUWFJFHSA-N 1 3 344.503 2.608 20 0 EFADHO C[C@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000291768857 474677757 /nfs/dbraw/zinc/67/77/57/474677757.db2.gz MKTOFQVQTOLNAT-OXJNMPFZSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000291768869 474678303 /nfs/dbraw/zinc/67/83/03/474678303.db2.gz MKTOFQVQTOLNAT-UZLBHIALSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000305140811 474703272 /nfs/dbraw/zinc/70/32/72/474703272.db2.gz PZOMTXUFTQRLBA-YLJYHZDGSA-N 1 3 342.487 2.616 20 0 EFADHO CC[NH2+]CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000634076332 480121633 /nfs/dbraw/zinc/12/16/33/480121633.db2.gz DRLBIKCQOUFELF-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CN(c1ccccc1CNCCOCC1CC1)C1CC[NH+](C)CC1 ZINC000344404592 474722823 /nfs/dbraw/zinc/72/28/23/474722823.db2.gz FRAUBEXSEOBEGK-UHFFFAOYSA-N 1 3 331.504 2.733 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000340858199 474723343 /nfs/dbraw/zinc/72/33/43/474723343.db2.gz KCVOOGUNDCRRBO-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000340858199 474723347 /nfs/dbraw/zinc/72/33/47/474723347.db2.gz KCVOOGUNDCRRBO-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000340858203 474723969 /nfs/dbraw/zinc/72/39/69/474723969.db2.gz KCVOOGUNDCRRBO-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000340858203 474723976 /nfs/dbraw/zinc/72/39/76/474723976.db2.gz KCVOOGUNDCRRBO-RBUKOAKNSA-N 1 3 346.519 2.635 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340862901 474729688 /nfs/dbraw/zinc/72/96/88/474729688.db2.gz VIYWQIANVCMWGA-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340862901 474729695 /nfs/dbraw/zinc/72/96/95/474729695.db2.gz VIYWQIANVCMWGA-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158814 474748094 /nfs/dbraw/zinc/74/80/94/474748094.db2.gz BHSWOBPTOGQMJH-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158814 474748099 /nfs/dbraw/zinc/74/80/99/474748099.db2.gz BHSWOBPTOGQMJH-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccccc3)CC2)C[C@@H](C)O1 ZINC000338939553 474755180 /nfs/dbraw/zinc/75/51/80/474755180.db2.gz SYKRKOPBMCHBHT-QZTJIDSGSA-N 1 3 332.488 2.887 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000623060378 480125476 /nfs/dbraw/zinc/12/54/76/480125476.db2.gz KCKPQBGOOKCSQS-SJLPKXTDSA-N 1 3 330.476 2.744 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc(C)c(OC)cc2C)CC1 ZINC000273216547 474782262 /nfs/dbraw/zinc/78/22/62/474782262.db2.gz USJOFUNGVCKVNI-SFHVURJKSA-N 1 3 333.520 2.990 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000623055010 480125628 /nfs/dbraw/zinc/12/56/28/480125628.db2.gz FQZDHSRHMDWYCX-QZTJIDSGSA-N 1 3 330.476 2.887 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717173 474785156 /nfs/dbraw/zinc/78/51/56/474785156.db2.gz BXAROSLUIJMSFX-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717173 474785161 /nfs/dbraw/zinc/78/51/61/474785161.db2.gz BXAROSLUIJMSFX-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000273234556 474794076 /nfs/dbraw/zinc/79/40/76/474794076.db2.gz PCALPXCEMNQUFV-AWEZNQCLSA-N 1 3 325.522 2.805 20 0 EFADHO CSC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000305829908 474794819 /nfs/dbraw/zinc/79/48/19/474794819.db2.gz DJBOEFYPCCJQKI-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000623065038 480126599 /nfs/dbraw/zinc/12/65/99/480126599.db2.gz OBEPKPOKTJFNNS-QZTJIDSGSA-N 1 3 344.503 2.992 20 0 EFADHO O=CN1CCC([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000278735683 474804090 /nfs/dbraw/zinc/80/40/90/474804090.db2.gz NBJVDVFZNGIBLL-UHFFFAOYSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000340944093 474804976 /nfs/dbraw/zinc/80/49/76/474804976.db2.gz ZIWCNZSYIHTFCS-OKZBNKHCSA-N 1 3 338.540 2.525 20 0 EFADHO [NH3+]CCCCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310424104 474824812 /nfs/dbraw/zinc/82/48/12/474824812.db2.gz ZRHNHKXMGSUTPU-IBGZPJMESA-N 1 3 331.504 2.924 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310956173 474831277 /nfs/dbraw/zinc/83/12/77/474831277.db2.gz NEVXFVNNLIARKN-UZLBHIALSA-N 1 3 337.467 2.786 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310971173 474835131 /nfs/dbraw/zinc/83/51/31/474835131.db2.gz DIIBXSLGQKJKJP-ICSRJNTNSA-N 1 3 343.515 2.795 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000340991599 474856079 /nfs/dbraw/zinc/85/60/79/474856079.db2.gz WNLHWZZZGPSFKC-QFBILLFUSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268225555 474872549 /nfs/dbraw/zinc/87/25/49/474872549.db2.gz RIJJWPRLTGNKHJ-JXFKEZNVSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000341016107 474882608 /nfs/dbraw/zinc/88/26/08/474882608.db2.gz CCQZKFZJIWVMTH-PSBWJHGTSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000341016107 474882616 /nfs/dbraw/zinc/88/26/16/474882616.db2.gz CCQZKFZJIWVMTH-PSBWJHGTSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000317487222 474886108 /nfs/dbraw/zinc/88/61/08/474886108.db2.gz ZVPRHPDJTAXUMQ-AGIUHOORSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000317487222 474886117 /nfs/dbraw/zinc/88/61/17/474886117.db2.gz ZVPRHPDJTAXUMQ-AGIUHOORSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)CN(C)C ZINC000293245926 474890384 /nfs/dbraw/zinc/89/03/84/474890384.db2.gz BJQYUEFMSUDVAY-HOTGVXAUSA-N 1 3 330.476 2.847 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000339059754 474891050 /nfs/dbraw/zinc/89/10/50/474891050.db2.gz OUCYNAGYFUZHSA-UTKZUKDTSA-N 1 3 344.547 2.971 20 0 EFADHO Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000339059754 474891053 /nfs/dbraw/zinc/89/10/53/474891053.db2.gz OUCYNAGYFUZHSA-UTKZUKDTSA-N 1 3 344.547 2.971 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)COC(C)C)cc2)CC1 ZINC000337325317 474897259 /nfs/dbraw/zinc/89/72/59/474897259.db2.gz BTLXVEYBOUCVKV-GOSISDBHSA-N 1 3 333.520 2.727 20 0 EFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1c(F)cccc1Cl ZINC000339070705 474898499 /nfs/dbraw/zinc/89/84/99/474898499.db2.gz OAYSNLPBRPDCEV-KKUMJFAQSA-N 1 3 340.870 2.847 20 0 EFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1c(F)cccc1Cl ZINC000339070705 474898506 /nfs/dbraw/zinc/89/85/06/474898506.db2.gz OAYSNLPBRPDCEV-KKUMJFAQSA-N 1 3 340.870 2.847 20 0 EFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1c(F)cccc1Cl ZINC000339070710 474900348 /nfs/dbraw/zinc/90/03/48/474900348.db2.gz OAYSNLPBRPDCEV-ZNMIVQPWSA-N 1 3 340.870 2.847 20 0 EFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1c(F)cccc1Cl ZINC000339070710 474900354 /nfs/dbraw/zinc/90/03/54/474900354.db2.gz OAYSNLPBRPDCEV-ZNMIVQPWSA-N 1 3 340.870 2.847 20 0 EFADHO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000337328394 474900943 /nfs/dbraw/zinc/90/09/43/474900943.db2.gz DXKZOUSQGXQBBS-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000337334351 474906605 /nfs/dbraw/zinc/90/66/05/474906605.db2.gz KQTVOJSXFCSAJY-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000337334351 474906610 /nfs/dbraw/zinc/90/66/10/474906610.db2.gz KQTVOJSXFCSAJY-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278909650 474908903 /nfs/dbraw/zinc/90/89/03/474908903.db2.gz JMACXPDUCLWGKI-NJDAHSKKSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H](CNC[C@@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000320783983 474919305 /nfs/dbraw/zinc/91/93/05/474919305.db2.gz VUKCPOJZIBIMIN-MAUKXSAKSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000320783983 474919310 /nfs/dbraw/zinc/91/93/10/474919310.db2.gz VUKCPOJZIBIMIN-MAUKXSAKSA-N 1 3 340.895 2.539 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000341053638 474920367 /nfs/dbraw/zinc/92/03/67/474920367.db2.gz JHYCFGCFXWLJBG-OKZBNKHCSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000341053638 474920378 /nfs/dbraw/zinc/92/03/78/474920378.db2.gz JHYCFGCFXWLJBG-OKZBNKHCSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC)Cc1cccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000278933364 474926099 /nfs/dbraw/zinc/92/60/99/474926099.db2.gz FIPDAZTXFIWFIU-HNNXBMFYSA-N 1 3 341.459 2.581 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000337353186 474927504 /nfs/dbraw/zinc/92/75/04/474927504.db2.gz AWWIDVZRJHKVRA-KURKYZTESA-N 1 3 338.540 2.813 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000337353186 474927510 /nfs/dbraw/zinc/92/75/10/474927510.db2.gz AWWIDVZRJHKVRA-KURKYZTESA-N 1 3 338.540 2.813 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000337355350 474930273 /nfs/dbraw/zinc/93/02/73/474930273.db2.gz DRQBHIIVYAYRQJ-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCCC[C@H]1C ZINC000337355350 474930283 /nfs/dbraw/zinc/93/02/83/474930283.db2.gz DRQBHIIVYAYRQJ-SJORKVTESA-N 1 3 346.519 2.810 20 0 EFADHO CN1CC=C(C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000285213691 474931010 /nfs/dbraw/zinc/93/10/10/474931010.db2.gz OOKKVIZVCQUBBL-GOSISDBHSA-N 1 3 343.471 2.891 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000337357183 474932412 /nfs/dbraw/zinc/93/24/12/474932412.db2.gz FPOMBEVNCIQJMY-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000337357183 474932421 /nfs/dbraw/zinc/93/24/21/474932421.db2.gz FPOMBEVNCIQJMY-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCc3nc(-c4cccs4)no3)C[C@H]21 ZINC000322500039 474939225 /nfs/dbraw/zinc/93/92/25/474939225.db2.gz DGZOJLASWWDSNS-MGPQQGTHSA-N 1 3 332.473 2.790 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH+](C1CCC1)C1CCC1)c1ccccc1 ZINC000292288324 474941917 /nfs/dbraw/zinc/94/19/17/474941917.db2.gz CHBGIZQHJZMPNB-LJQANCHMSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCc2nccn2C1 ZINC000278977185 474950309 /nfs/dbraw/zinc/95/03/09/474950309.db2.gz OEURFJQJLKAUKY-RLLQIKCJSA-N 1 3 338.499 2.946 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000323556383 474950461 /nfs/dbraw/zinc/95/04/61/474950461.db2.gz SAKDKOKOVIWIQF-GOSISDBHSA-N 1 3 329.488 2.501 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000341084849 474956780 /nfs/dbraw/zinc/95/67/80/474956780.db2.gz CXPRHXKFRBRKRF-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000337383397 474961329 /nfs/dbraw/zinc/96/13/29/474961329.db2.gz DBEHZTIIZDTGQS-GOSISDBHSA-N 1 3 340.556 2.728 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000337383397 474961337 /nfs/dbraw/zinc/96/13/37/474961337.db2.gz DBEHZTIIZDTGQS-GOSISDBHSA-N 1 3 340.556 2.728 20 0 EFADHO CC[C@H](C)C[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341088528 474961941 /nfs/dbraw/zinc/96/19/41/474961941.db2.gz RCFUXJYNSSWOAE-JKSUJKDBSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000268408217 474963515 /nfs/dbraw/zinc/96/35/15/474963515.db2.gz GOQSDDQEPOJIJP-UHFFFAOYSA-N 1 3 346.393 2.910 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000337391770 474970323 /nfs/dbraw/zinc/97/03/23/474970323.db2.gz ZWXJLUZQIVQJGS-SJORKVTESA-N 1 3 338.540 2.718 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC[C@@H](C)C1 ZINC000337391768 474971032 /nfs/dbraw/zinc/97/10/32/474971032.db2.gz ZWXJLUZQIVQJGS-IAGOWNOFSA-N 1 3 338.540 2.718 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000261546462 474983337 /nfs/dbraw/zinc/98/33/37/474983337.db2.gz YKPQJONCVRHEGP-XLIONFOSSA-N 1 3 339.483 2.961 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000261546462 474983344 /nfs/dbraw/zinc/98/33/44/474983344.db2.gz YKPQJONCVRHEGP-XLIONFOSSA-N 1 3 339.483 2.961 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293450279 474985610 /nfs/dbraw/zinc/98/56/10/474985610.db2.gz PJNVCVORYRCIRJ-QFBILLFUSA-N 1 3 338.467 2.851 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000293450279 474985620 /nfs/dbraw/zinc/98/56/20/474985620.db2.gz PJNVCVORYRCIRJ-QFBILLFUSA-N 1 3 338.467 2.851 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293450257 474986833 /nfs/dbraw/zinc/98/68/33/474986833.db2.gz PJNVCVORYRCIRJ-APWZRJJASA-N 1 3 338.467 2.851 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000293450257 474986840 /nfs/dbraw/zinc/98/68/40/474986840.db2.gz PJNVCVORYRCIRJ-APWZRJJASA-N 1 3 338.467 2.851 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000325218091 474987177 /nfs/dbraw/zinc/98/71/77/474987177.db2.gz PJFCYMLJXFJHEV-PKOBYXMFSA-N 1 3 331.504 2.951 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000325387679 474987514 /nfs/dbraw/zinc/98/75/14/474987514.db2.gz YSVFTNXTADSMKF-GOEBONIOSA-N 1 3 333.476 2.721 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341112967 474988529 /nfs/dbraw/zinc/98/85/29/474988529.db2.gz APAUURAUPHWQKZ-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)C1 ZINC000341112967 474988535 /nfs/dbraw/zinc/98/85/35/474988535.db2.gz APAUURAUPHWQKZ-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO CCC[NH+]1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000339163307 474993272 /nfs/dbraw/zinc/99/32/72/474993272.db2.gz COXWQZKHXVSHQO-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261638125 475005901 /nfs/dbraw/zinc/00/59/01/475005901.db2.gz ICGVSHWVKGSKKR-IIDMSEBBSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000326670918 475009459 /nfs/dbraw/zinc/00/94/59/475009459.db2.gz MPEYFWKNEBMOFW-CYBMUJFWSA-N 1 3 337.427 2.571 20 0 EFADHO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000261667379 475016128 /nfs/dbraw/zinc/01/61/28/475016128.db2.gz LGGKZPQYTTVPQP-LPHOPBHVSA-N 1 3 329.488 2.799 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(COC)cc1 ZINC000339200933 475034626 /nfs/dbraw/zinc/03/46/26/475034626.db2.gz DEMLDASXELLGLY-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(COC)cc1 ZINC000339200933 475034632 /nfs/dbraw/zinc/03/46/32/475034632.db2.gz DEMLDASXELLGLY-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000261709702 475035297 /nfs/dbraw/zinc/03/52/97/475035297.db2.gz PLDBUOKZEQIMPH-SFHVURJKSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(OCCN(C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000261725628 475040925 /nfs/dbraw/zinc/04/09/25/475040925.db2.gz RDTFRHXHTOMMHH-JKSUJKDBSA-N 1 3 333.476 2.591 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000261748935 475049476 /nfs/dbraw/zinc/04/94/76/475049476.db2.gz MLHIMDYVNMHGNU-OTWHNJEPSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CCCN(C)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000345274657 475051429 /nfs/dbraw/zinc/05/14/29/475051429.db2.gz FDNUYZUCADURNK-JKSUJKDBSA-N 1 3 348.491 2.540 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000268908781 475063673 /nfs/dbraw/zinc/06/36/73/475063673.db2.gz FNDLMZKOBPSSJC-FUHWJXTLSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000268908781 475063676 /nfs/dbraw/zinc/06/36/76/475063676.db2.gz FNDLMZKOBPSSJC-FUHWJXTLSA-N 1 3 331.504 2.791 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000261812046 475070640 /nfs/dbraw/zinc/07/06/40/475070640.db2.gz LWHNOGPQACDRBN-HDMKZQKVSA-N 1 3 335.517 2.637 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](COC)Cc2ccccc2)[C@@H](C)C1 ZINC000268918027 475070903 /nfs/dbraw/zinc/07/09/03/475070903.db2.gz OIHPUZKVUBGMQT-TYPHKJRUSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](COC)Cc2ccccc2)[C@@H](C)C1 ZINC000268918027 475070911 /nfs/dbraw/zinc/07/09/11/475070911.db2.gz OIHPUZKVUBGMQT-TYPHKJRUSA-N 1 3 348.531 2.971 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000261813488 475073109 /nfs/dbraw/zinc/07/31/09/475073109.db2.gz HEORYSAPMJODFS-APWZRJJASA-N 1 3 347.503 2.584 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@H]1c1ccccc1 ZINC000345310431 475083102 /nfs/dbraw/zinc/08/31/02/475083102.db2.gz XOGYECMJVVKNBF-HSROGRKHSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@H]1c1ccccc1 ZINC000345310431 475083111 /nfs/dbraw/zinc/08/31/11/475083111.db2.gz XOGYECMJVVKNBF-HSROGRKHSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)[C@H]1c1ccccc1 ZINC000345310431 475083122 /nfs/dbraw/zinc/08/31/22/475083122.db2.gz XOGYECMJVVKNBF-HSROGRKHSA-N 1 3 345.531 2.767 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000341505962 475098273 /nfs/dbraw/zinc/09/82/73/475098273.db2.gz TVSULNRTPRWMDU-CABCVRRESA-N 1 3 329.479 2.959 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000261890492 475101321 /nfs/dbraw/zinc/10/13/21/475101321.db2.gz TVRPJWZAZZUJRC-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO NC[C@@H]1C[N@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261893309 475103797 /nfs/dbraw/zinc/10/37/97/475103797.db2.gz ZZAMUOVNGPOCLI-MOPGFXCFSA-N 1 3 348.450 2.953 20 0 EFADHO NC[C@@H]1C[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261893309 475103804 /nfs/dbraw/zinc/10/38/04/475103804.db2.gz ZZAMUOVNGPOCLI-MOPGFXCFSA-N 1 3 348.450 2.953 20 0 EFADHO [NH3+]C[C@@H]1CN(CCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000261893309 475103811 /nfs/dbraw/zinc/10/38/11/475103811.db2.gz ZZAMUOVNGPOCLI-MOPGFXCFSA-N 1 3 348.450 2.953 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261911456 475110583 /nfs/dbraw/zinc/11/05/83/475110583.db2.gz XOXDHEXNLWLSFY-GASCZTMLSA-N 1 3 341.455 2.566 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000287377058 475120314 /nfs/dbraw/zinc/12/03/14/475120314.db2.gz UEZDUSRQQIELLD-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)OCCO ZINC000287384085 475124772 /nfs/dbraw/zinc/12/47/72/475124772.db2.gz PRTGAZLYHNYISX-HSALFYBXSA-N 1 3 346.515 2.664 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261970714 475131272 /nfs/dbraw/zinc/13/12/72/475131272.db2.gz CYVWPLSFVWWCSM-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000261978224 475132929 /nfs/dbraw/zinc/13/29/29/475132929.db2.gz GVQOUQUDHSCICW-SJORKVTESA-N 1 3 331.504 2.616 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C)N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000345372757 475134030 /nfs/dbraw/zinc/13/40/30/475134030.db2.gz HFXCPWPKJFFSTC-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000261982223 475135771 /nfs/dbraw/zinc/13/57/71/475135771.db2.gz INKOWFMONALHKY-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000339348353 475153197 /nfs/dbraw/zinc/15/31/97/475153197.db2.gz GLZVOUSJQSSRTF-LJQANCHMSA-N 1 3 346.519 2.637 20 0 EFADHO COc1cc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)ccc1OCCO ZINC000341570262 475153894 /nfs/dbraw/zinc/15/38/94/475153894.db2.gz DYEXFQIWLHBCAU-DOTOQJQBSA-N 1 3 336.476 2.591 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269060810 475154000 /nfs/dbraw/zinc/15/40/00/475154000.db2.gz KDPVTGDZUCQGSN-FXAWDEMLSA-N 1 3 344.503 2.939 20 0 EFADHO CCC[C@@](C)(N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262091117 475169340 /nfs/dbraw/zinc/16/93/40/475169340.db2.gz AESQHWBIDPMXBK-UYAOXDASSA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@@](C)(N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262091117 475169347 /nfs/dbraw/zinc/16/93/47/475169347.db2.gz AESQHWBIDPMXBK-UYAOXDASSA-N 1 3 331.504 2.875 20 0 EFADHO c1cc(-c2ccccc2)sc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262129382 475179300 /nfs/dbraw/zinc/17/93/00/475179300.db2.gz NOGQLIAJVICQMS-QGZVFWFLSA-N 1 3 327.497 2.895 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262127995 475179603 /nfs/dbraw/zinc/17/96/03/475179603.db2.gz CSCMIZJSRJWDRH-FXAWDEMLSA-N 1 3 341.499 2.644 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287539404 475188920 /nfs/dbraw/zinc/18/89/20/475188920.db2.gz DZTJMBSKHGUNJZ-ZBFHGGJFSA-N 1 3 346.393 2.827 20 0 EFADHO CN(CCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000341635496 475198480 /nfs/dbraw/zinc/19/84/80/475198480.db2.gz RGBGXHDBNBLYGT-SFHVURJKSA-N 1 3 348.535 2.784 20 0 EFADHO CCC[C@H](C)C(=O)NCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000292805878 475203204 /nfs/dbraw/zinc/20/32/04/475203204.db2.gz VYOPRUDHCYHMAF-SFHVURJKSA-N 1 3 345.531 2.836 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262266457 475210571 /nfs/dbraw/zinc/21/05/71/475210571.db2.gz JWTAISJTGWYMMY-VCWRXUFXSA-N 1 3 343.515 2.730 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)[NH+]1CCCC1 ZINC000345486132 475216788 /nfs/dbraw/zinc/21/67/88/475216788.db2.gz WHYYTXHBXUEWLF-JQHSSLGASA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)N1CCCC[C@@H]1C ZINC000345487867 475217458 /nfs/dbraw/zinc/21/74/58/475217458.db2.gz XYMNMCYDSMWKRX-FGTMMUONSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)N1CCCC[C@H]1C ZINC000345487869 475217665 /nfs/dbraw/zinc/21/76/65/475217665.db2.gz XYMNMCYDSMWKRX-KZNAEPCWSA-N 1 3 338.540 2.813 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262359642 475224867 /nfs/dbraw/zinc/22/48/67/475224867.db2.gz VJNZTTNTOSCAJR-OQSMONGASA-N 1 3 335.536 2.720 20 0 EFADHO CCOC(=O)c1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000296213326 475225077 /nfs/dbraw/zinc/22/50/77/475225077.db2.gz ZUUFIHCCSDTUOG-MRXNPFEDSA-N 1 3 333.476 2.664 20 0 EFADHO O=C(NC1CCN(Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262384977 475230764 /nfs/dbraw/zinc/23/07/64/475230764.db2.gz NLDXRZHSFWXWDU-GHTZIAJQSA-N 1 3 341.499 2.547 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000352388789 475244439 /nfs/dbraw/zinc/24/44/39/475244439.db2.gz VOWLYOIJOODQQC-MUPHDSPYSA-N 1 3 346.515 2.919 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Cl)c1 ZINC000361183447 475251707 /nfs/dbraw/zinc/25/17/07/475251707.db2.gz VQKHVDNBJPLITM-TZMCWYRMSA-N 1 3 341.858 2.717 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]12 ZINC000262537503 475258031 /nfs/dbraw/zinc/25/80/31/475258031.db2.gz QOMXJQNADXNBCU-UHIISALHSA-N 1 3 342.270 2.991 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296305154 475262219 /nfs/dbraw/zinc/26/22/19/475262219.db2.gz GGVJVHNADPFZPB-HOTGVXAUSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296305154 475262225 /nfs/dbraw/zinc/26/22/25/475262225.db2.gz GGVJVHNADPFZPB-HOTGVXAUSA-N 1 3 329.488 2.675 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000357923690 475265601 /nfs/dbraw/zinc/26/56/01/475265601.db2.gz UHBRSHDSNITUHM-IRXDYDNUSA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000357923690 475265607 /nfs/dbraw/zinc/26/56/07/475265607.db2.gz UHBRSHDSNITUHM-IRXDYDNUSA-N 1 3 334.508 2.535 20 0 EFADHO COC1CCN(C2(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CCCC2)CC1 ZINC000361229426 475286317 /nfs/dbraw/zinc/28/63/17/475286317.db2.gz AHWHTUZZWDQLBC-YQVWRLOYSA-N 1 3 337.552 2.728 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1C ZINC000341777694 475293579 /nfs/dbraw/zinc/29/35/79/475293579.db2.gz ULPIHQSCSQEPAD-HXUWFJFHSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1C ZINC000341777694 475293588 /nfs/dbraw/zinc/29/35/88/475293588.db2.gz ULPIHQSCSQEPAD-HXUWFJFHSA-N 1 3 345.531 2.720 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000296397997 475298399 /nfs/dbraw/zinc/29/83/99/475298399.db2.gz LJZUTKYUHNHIBT-OAHLLOKOSA-N 1 3 345.491 2.705 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000347422086 475312987 /nfs/dbraw/zinc/31/29/87/475312987.db2.gz VRQXNSGLCOUCOG-BRWVUGGUSA-N 1 3 347.503 2.795 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCNC2CC(c3ccccc3Cl)C2)C1 ZINC000352464511 475318950 /nfs/dbraw/zinc/31/89/50/475318950.db2.gz UWZJTCPEZOYLHW-FHERZECASA-N 1 3 349.906 2.763 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC2CC(c3ccccc3Cl)C2)C1 ZINC000352464511 475318958 /nfs/dbraw/zinc/31/89/58/475318958.db2.gz UWZJTCPEZOYLHW-FHERZECASA-N 1 3 349.906 2.763 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000358002217 475324494 /nfs/dbraw/zinc/32/44/94/475324494.db2.gz JSGKFYRZTAYPNH-ZHALLVOQSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000358002217 475324500 /nfs/dbraw/zinc/32/45/00/475324500.db2.gz JSGKFYRZTAYPNH-ZHALLVOQSA-N 1 3 346.519 2.677 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@H](O)C(F)F ZINC000296518213 475353728 /nfs/dbraw/zinc/35/37/28/475353728.db2.gz PUNFOYBJSVCUIL-ICUGJSFKSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H](O)C(F)F ZINC000296518213 475353732 /nfs/dbraw/zinc/35/37/32/475353732.db2.gz PUNFOYBJSVCUIL-ICUGJSFKSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](O)C(F)F ZINC000296518213 475353736 /nfs/dbraw/zinc/35/37/36/475353736.db2.gz PUNFOYBJSVCUIL-ICUGJSFKSA-N 1 3 338.442 2.891 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000352502945 475358863 /nfs/dbraw/zinc/35/88/63/475358863.db2.gz AJRHRLKZHVSZRN-MJGOQNOKSA-N 1 3 329.488 2.774 20 0 EFADHO C[C@H]1Cc2ccc(F)cc2[C@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350027 475376331 /nfs/dbraw/zinc/37/63/31/475376331.db2.gz BAFLWYZACCYURC-XOBRGWDASA-N 1 3 347.478 2.591 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000361350331 475376660 /nfs/dbraw/zinc/37/66/60/475376660.db2.gz FEFRIQGJHPVJBJ-OXJNMPFZSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000361350331 475376666 /nfs/dbraw/zinc/37/66/66/475376666.db2.gz FEFRIQGJHPVJBJ-OXJNMPFZSA-N 1 3 332.488 2.812 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1N1CCOCC1)CC1CCCC1 ZINC000352525372 475381654 /nfs/dbraw/zinc/38/16/54/475381654.db2.gz GBAFYOLZOGVOAH-UHFFFAOYSA-N 1 3 331.504 2.864 20 0 EFADHO Cn1cc(CN(CCC[NH3+])CC2CCCC2)c(-c2cccnc2)n1 ZINC000352545189 475398536 /nfs/dbraw/zinc/39/85/36/475398536.db2.gz HBRSOXXWVPLRJH-UHFFFAOYSA-N 1 3 327.476 2.823 20 0 EFADHO CC[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000345730238 475401475 /nfs/dbraw/zinc/40/14/75/475401475.db2.gz XBIMMTZCVVSFLC-SVFBPWRDSA-N 1 3 343.515 2.847 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000341910255 475406048 /nfs/dbraw/zinc/40/60/48/475406048.db2.gz KXMQCSPTPHLKIO-GOSISDBHSA-N 1 3 344.565 2.645 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000361387600 475407718 /nfs/dbraw/zinc/40/77/18/475407718.db2.gz ZFFYSEJXYDVPSX-PKOBYXMFSA-N 1 3 347.503 2.742 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000361387600 475407724 /nfs/dbraw/zinc/40/77/24/475407724.db2.gz ZFFYSEJXYDVPSX-PKOBYXMFSA-N 1 3 347.503 2.742 20 0 EFADHO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000354794509 475415444 /nfs/dbraw/zinc/41/54/44/475415444.db2.gz SDSCUKHMOJRBQC-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000354794509 475415453 /nfs/dbraw/zinc/41/54/53/475415453.db2.gz SDSCUKHMOJRBQC-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358126624 475420930 /nfs/dbraw/zinc/42/09/30/475420930.db2.gz BAIIQGWNPZDDCM-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358126624 475420935 /nfs/dbraw/zinc/42/09/35/475420935.db2.gz BAIIQGWNPZDDCM-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358126623 475421623 /nfs/dbraw/zinc/42/16/23/475421623.db2.gz BAIIQGWNPZDDCM-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358126623 475421632 /nfs/dbraw/zinc/42/16/32/475421632.db2.gz BAIIQGWNPZDDCM-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000341937139 475429275 /nfs/dbraw/zinc/42/92/75/475429275.db2.gz IBAYFWWHIBDOHD-IAGOWNOFSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358146540 475438655 /nfs/dbraw/zinc/43/86/55/475438655.db2.gz DEXCNQUDDGEXLJ-NSHGMRRFSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000358146540 475438662 /nfs/dbraw/zinc/43/86/62/475438662.db2.gz DEXCNQUDDGEXLJ-NSHGMRRFSA-N 1 3 337.552 2.730 20 0 EFADHO Cc1cc(NCCCCN2CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000358147030 475440259 /nfs/dbraw/zinc/44/02/59/475440259.db2.gz IDMGEZZMXQXWRM-UHFFFAOYSA-N 1 3 338.499 2.822 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000345790235 475453317 /nfs/dbraw/zinc/45/33/17/475453317.db2.gz IIWZVMWSSXUDJU-IAGOWNOFSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000361458091 475463650 /nfs/dbraw/zinc/46/36/50/475463650.db2.gz OTWLELKMJHOQJG-IAGOWNOFSA-N 1 3 338.540 2.813 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000354874130 475481258 /nfs/dbraw/zinc/48/12/58/475481258.db2.gz HURBOMKJFMBQOU-QGZVFWFLSA-N 1 3 326.529 2.669 20 0 EFADHO C[C@H](CC[NH+]1CCC(N(C)CCCO)CC1)OCc1ccccc1 ZINC000354885639 475490723 /nfs/dbraw/zinc/49/07/23/475490723.db2.gz FRKPWDSICFLGBP-GOSISDBHSA-N 1 3 334.504 2.760 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000361492824 475492792 /nfs/dbraw/zinc/49/27/92/475492792.db2.gz MLWVIFQORPKFKE-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000361492822 475493312 /nfs/dbraw/zinc/49/33/12/475493312.db2.gz MLWVIFQORPKFKE-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000352653592 475494608 /nfs/dbraw/zinc/49/46/08/475494608.db2.gz VXXMIZXBIYEIES-AEFFLSMTSA-N 1 3 334.508 2.707 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C(C)C ZINC000352653592 475494617 /nfs/dbraw/zinc/49/46/17/475494617.db2.gz VXXMIZXBIYEIES-AEFFLSMTSA-N 1 3 334.508 2.707 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352653239 475495898 /nfs/dbraw/zinc/49/58/98/475495898.db2.gz VKIGAKFXETYEOD-QZTJIDSGSA-N 1 3 344.565 2.690 20 0 EFADHO Cc1cc(C)n(CC[N@@H+](C)CC2CCN(c3ccncc3)CC2)n1 ZINC000354901405 475502634 /nfs/dbraw/zinc/50/26/34/475502634.db2.gz RRFQIWWNCMLGCO-UHFFFAOYSA-N 1 3 327.476 2.743 20 0 EFADHO Cc1cc(C)n(CC[N@H+](C)CC2CCN(c3ccncc3)CC2)n1 ZINC000354901405 475502644 /nfs/dbraw/zinc/50/26/44/475502644.db2.gz RRFQIWWNCMLGCO-UHFFFAOYSA-N 1 3 327.476 2.743 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352677641 475520417 /nfs/dbraw/zinc/52/04/17/475520417.db2.gz OIGPEUATYGGYRH-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352677641 475520421 /nfs/dbraw/zinc/52/04/21/475520421.db2.gz OIGPEUATYGGYRH-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1C ZINC000345875896 475528662 /nfs/dbraw/zinc/52/86/62/475528662.db2.gz YESDOGWXWGGZNX-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1C ZINC000345875896 475528669 /nfs/dbraw/zinc/52/86/69/475528669.db2.gz YESDOGWXWGGZNX-GOSISDBHSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1C ZINC000345875898 475529288 /nfs/dbraw/zinc/52/92/88/475529288.db2.gz YESDOGWXWGGZNX-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C)cc1C ZINC000345875898 475529293 /nfs/dbraw/zinc/52/92/93/475529293.db2.gz YESDOGWXWGGZNX-SFHVURJKSA-N 1 3 331.504 2.792 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000358257183 475533431 /nfs/dbraw/zinc/53/34/31/475533431.db2.gz DLYNFTXKHZQDID-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000348259108 475534689 /nfs/dbraw/zinc/53/46/89/475534689.db2.gz ZGUMGRIFDYIVPK-HNNXBMFYSA-N 1 3 349.441 2.782 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000345891662 475538989 /nfs/dbraw/zinc/53/89/89/475538989.db2.gz SODSNZIUCBVLDR-IAGOWNOFSA-N 1 3 331.504 2.970 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)ccn1 ZINC000348269651 475546594 /nfs/dbraw/zinc/54/65/94/475546594.db2.gz VHOMDOQNZAJXFR-RTBURBONSA-N 1 3 325.456 2.915 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000338055265 475551811 /nfs/dbraw/zinc/55/18/11/475551811.db2.gz ZTMKMSGJAINFHQ-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000338055265 475551815 /nfs/dbraw/zinc/55/18/15/475551815.db2.gz ZTMKMSGJAINFHQ-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CCCN1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000358278049 475555203 /nfs/dbraw/zinc/55/52/03/475555203.db2.gz QUZFPUDVFSFIEI-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000346057266 475555847 /nfs/dbraw/zinc/55/58/47/475555847.db2.gz VKETWFHRLFYIIU-IBGZPJMESA-N 1 3 337.467 2.753 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000358278046 475555771 /nfs/dbraw/zinc/55/57/71/475555771.db2.gz QUZFPUDVFSFIEI-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@@H]21 ZINC000342147739 475563771 /nfs/dbraw/zinc/56/37/71/475563771.db2.gz UXOASECERANCNN-ZFVVBOAOSA-N 1 3 333.863 2.505 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000346155371 475565200 /nfs/dbraw/zinc/56/52/00/475565200.db2.gz HAFHRPRWXKFSNA-ZIFCJYIRSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000346155371 475565206 /nfs/dbraw/zinc/56/52/06/475565206.db2.gz HAFHRPRWXKFSNA-ZIFCJYIRSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)CC1 ZINC000339859826 475567044 /nfs/dbraw/zinc/56/70/44/475567044.db2.gz KRKVUKILVYQKGN-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000338078837 475570786 /nfs/dbraw/zinc/57/07/86/475570786.db2.gz SOFJBQKKLOKJAG-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000338078837 475570789 /nfs/dbraw/zinc/57/07/89/475570789.db2.gz SOFJBQKKLOKJAG-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000361587907 475572894 /nfs/dbraw/zinc/57/28/94/475572894.db2.gz QICCFNCSIJZUJV-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000361587907 475572902 /nfs/dbraw/zinc/57/29/02/475572902.db2.gz QICCFNCSIJZUJV-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000352734111 475576204 /nfs/dbraw/zinc/57/62/04/475576204.db2.gz VSRYNPSDTGSWQN-HXUWFJFHSA-N 1 3 325.456 2.500 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cn1 ZINC000352734111 475576211 /nfs/dbraw/zinc/57/62/11/475576211.db2.gz VSRYNPSDTGSWQN-HXUWFJFHSA-N 1 3 325.456 2.500 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263280 475576699 /nfs/dbraw/zinc/57/66/99/475576699.db2.gz OOSCGBIALXXTAH-NBMJBFSESA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263280 475576706 /nfs/dbraw/zinc/57/67/06/475576706.db2.gz OOSCGBIALXXTAH-NBMJBFSESA-N 1 3 333.520 2.582 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccc(C)cc3C)C2)CC1 ZINC000348307869 475580302 /nfs/dbraw/zinc/58/03/02/475580302.db2.gz QPBBWCBOLUWOGF-GOSISDBHSA-N 1 3 343.515 2.693 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348317530 475586097 /nfs/dbraw/zinc/58/60/97/475586097.db2.gz WSMIVIJDEXRGAW-SESVDKBCSA-N 1 3 348.531 2.663 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348317530 475586106 /nfs/dbraw/zinc/58/61/06/475586106.db2.gz WSMIVIJDEXRGAW-SESVDKBCSA-N 1 3 348.531 2.663 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000352745807 475586631 /nfs/dbraw/zinc/58/66/31/475586631.db2.gz MFBFJAWLKPYCAR-QGZVFWFLSA-N 1 3 346.519 2.668 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000338103687 475591478 /nfs/dbraw/zinc/59/14/78/475591478.db2.gz MHMGBJJJFYARHG-GOSISDBHSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000338103687 475591486 /nfs/dbraw/zinc/59/14/86/475591486.db2.gz MHMGBJJJFYARHG-GOSISDBHSA-N 1 3 329.488 2.883 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352763657 475599123 /nfs/dbraw/zinc/59/91/23/475599123.db2.gz QEXSTYBRWBJETM-AEFFLSMTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352763657 475599131 /nfs/dbraw/zinc/59/91/31/475599131.db2.gz QEXSTYBRWBJETM-AEFFLSMTSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352763657 475599138 /nfs/dbraw/zinc/59/91/38/475599138.db2.gz QEXSTYBRWBJETM-AEFFLSMTSA-N 1 3 331.504 2.791 20 0 EFADHO CCn1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c1=O ZINC000348355691 475614672 /nfs/dbraw/zinc/61/46/72/475614672.db2.gz LMYBUFFOBQKVQL-FXAWDEMLSA-N 1 3 339.483 2.868 20 0 EFADHO C[C@@H](NC[C@](C)(O)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000358368720 475624911 /nfs/dbraw/zinc/62/49/11/475624911.db2.gz PBNGLRUJMFLVRT-DOMZBBRYSA-N 1 3 334.382 2.591 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000342698477 475627549 /nfs/dbraw/zinc/62/75/49/475627549.db2.gz UILVRPCFDIFUDC-VDGAXYAQSA-N 1 3 343.515 2.574 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000339945000 475630234 /nfs/dbraw/zinc/63/02/34/475630234.db2.gz MAMFMZYTSXNBMW-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000339944422 475630429 /nfs/dbraw/zinc/63/04/29/475630429.db2.gz NLMPGMKSNQZSGJ-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000348384826 475632888 /nfs/dbraw/zinc/63/28/88/475632888.db2.gz VRDLMFKCACTDMX-HKUYNNGSSA-N 1 3 329.488 2.790 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339950023 475634437 /nfs/dbraw/zinc/63/44/37/475634437.db2.gz ZSRRHLONGCJOEX-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000358380200 475634909 /nfs/dbraw/zinc/63/49/09/475634909.db2.gz MLGGFRRWTISAMC-JZXOWHBKSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000342752102 475636560 /nfs/dbraw/zinc/63/65/60/475636560.db2.gz DNAXIFLMVWWRSD-NEWSRXKRSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000342752102 475636565 /nfs/dbraw/zinc/63/65/65/475636565.db2.gz DNAXIFLMVWWRSD-NEWSRXKRSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000342752102 475636572 /nfs/dbraw/zinc/63/65/72/475636572.db2.gz DNAXIFLMVWWRSD-NEWSRXKRSA-N 1 3 333.520 2.869 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccco1 ZINC000355091350 475660721 /nfs/dbraw/zinc/66/07/21/475660721.db2.gz ZWZXQSQQUQDNJD-ZOBUZTSGSA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccco1 ZINC000355091350 475660731 /nfs/dbraw/zinc/66/07/31/475660731.db2.gz ZWZXQSQQUQDNJD-ZOBUZTSGSA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)c1ccco1 ZINC000355091348 475660990 /nfs/dbraw/zinc/66/09/90/475660990.db2.gz ZWZXQSQQUQDNJD-YQQAZPJKSA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccco1 ZINC000355091348 475660998 /nfs/dbraw/zinc/66/09/98/475660998.db2.gz ZWZXQSQQUQDNJD-YQQAZPJKSA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccco1 ZINC000355091349 475661452 /nfs/dbraw/zinc/66/14/52/475661452.db2.gz ZWZXQSQQUQDNJD-ZMSDIMECSA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccco1 ZINC000355091349 475661458 /nfs/dbraw/zinc/66/14/58/475661458.db2.gz ZWZXQSQQUQDNJD-ZMSDIMECSA-N 1 3 348.491 2.658 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC2 ZINC000346577451 475671974 /nfs/dbraw/zinc/67/19/74/475671974.db2.gz ANGQSGHFTHRVJW-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC2 ZINC000346577451 475671978 /nfs/dbraw/zinc/67/19/78/475671978.db2.gz ANGQSGHFTHRVJW-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358429395 475672793 /nfs/dbraw/zinc/67/27/93/475672793.db2.gz YMHLWVHIQKJKBQ-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358429395 475672799 /nfs/dbraw/zinc/67/27/99/475672799.db2.gz YMHLWVHIQKJKBQ-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000355116943 475677795 /nfs/dbraw/zinc/67/77/95/475677795.db2.gz YIWHDAVQFQYDQA-LPHOPBHVSA-N 1 3 346.519 2.890 20 0 EFADHO CCN1CCN(Cc2ccc(NC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000297295858 475695364 /nfs/dbraw/zinc/69/53/64/475695364.db2.gz AXXWNRQYXLESFV-UHFFFAOYSA-N 1 3 342.531 2.863 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)c1ccccc1 ZINC000353130222 475704372 /nfs/dbraw/zinc/70/43/72/475704372.db2.gz OEOYRUVZKZNLRS-IPMKNSEASA-N 1 3 331.504 2.820 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000358479406 475710246 /nfs/dbraw/zinc/71/02/46/475710246.db2.gz MOGAURGHQRULIZ-APWZRJJASA-N 1 3 348.535 2.880 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000358479406 475710255 /nfs/dbraw/zinc/71/02/55/475710255.db2.gz MOGAURGHQRULIZ-APWZRJJASA-N 1 3 348.535 2.880 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@H](C)C1 ZINC000346628255 475714344 /nfs/dbraw/zinc/71/43/44/475714344.db2.gz DVRLBXMDUAYIBF-MDZRGWNJSA-N 1 3 331.504 2.892 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C ZINC000361747989 475718053 /nfs/dbraw/zinc/71/80/53/475718053.db2.gz FVJKCIURBBJGCL-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C ZINC000361747989 475718062 /nfs/dbraw/zinc/71/80/62/475718062.db2.gz FVJKCIURBBJGCL-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000338261446 475724620 /nfs/dbraw/zinc/72/46/20/475724620.db2.gz JYHFDQMCGGBQLI-FHWLQOOXSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000338261446 475724625 /nfs/dbraw/zinc/72/46/25/475724625.db2.gz JYHFDQMCGGBQLI-FHWLQOOXSA-N 1 3 344.503 2.524 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC000338261718 475725415 /nfs/dbraw/zinc/72/54/15/475725415.db2.gz URRUQHBGTODSKO-PKOBYXMFSA-N 1 3 344.503 2.607 20 0 EFADHO Cc1nn(-c2ccccc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000346647219 475730964 /nfs/dbraw/zinc/73/09/64/475730964.db2.gz FVILHXCRERWYHI-UHFFFAOYSA-N 1 3 328.460 2.511 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000346646930 475731312 /nfs/dbraw/zinc/73/13/12/475731312.db2.gz FNJWISMKTWHLIM-UHFFFAOYSA-N 1 3 328.403 2.660 20 0 EFADHO CSc1ccc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504683 475732189 /nfs/dbraw/zinc/73/21/89/475732189.db2.gz HNZJAJSFAMKVGY-AWEZNQCLSA-N 1 3 333.501 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000353167001 475739516 /nfs/dbraw/zinc/73/95/16/475739516.db2.gz XTUSNUPLWRWSEZ-FPOVZHCZSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000353167001 475739520 /nfs/dbraw/zinc/73/95/20/475739520.db2.gz XTUSNUPLWRWSEZ-FPOVZHCZSA-N 1 3 345.531 2.811 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358525415 475746545 /nfs/dbraw/zinc/74/65/45/475746545.db2.gz OELDOGLFVQRXII-LMMKCTJWSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358525415 475746551 /nfs/dbraw/zinc/74/65/51/475746551.db2.gz OELDOGLFVQRXII-LMMKCTJWSA-N 1 3 346.519 2.631 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000338289403 475751286 /nfs/dbraw/zinc/75/12/86/475751286.db2.gz XTZOYKUIWBBLDR-HZPDHXFCSA-N 1 3 338.540 2.526 20 0 EFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338298858 475760325 /nfs/dbraw/zinc/76/03/25/475760325.db2.gz CMZSBBDMKUXBLR-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CCN(CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000338298858 475760329 /nfs/dbraw/zinc/76/03/29/475760329.db2.gz CMZSBBDMKUXBLR-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CSC1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCN(C)CC1 ZINC000353195056 475761114 /nfs/dbraw/zinc/76/11/14/475761114.db2.gz RFAZAIWAPDCWEI-UHFFFAOYSA-N 1 3 338.908 2.905 20 0 EFADHO CSC1(CNCc2cnc3ccc(Cl)cn23)CC[NH+](C)CC1 ZINC000353195056 475761121 /nfs/dbraw/zinc/76/11/21/475761121.db2.gz RFAZAIWAPDCWEI-UHFFFAOYSA-N 1 3 338.908 2.905 20 0 EFADHO CCN(CC)c1ncc(CNCC2(SC)CC[NH+](C)CC2)s1 ZINC000353198103 475762143 /nfs/dbraw/zinc/76/21/43/475762143.db2.gz YBJUFZFVCCKDNK-UHFFFAOYSA-N 1 3 342.578 2.906 20 0 EFADHO CCN(CC)c1ncc(C[NH2+]CC2(SC)CCN(C)CC2)s1 ZINC000353198103 475762149 /nfs/dbraw/zinc/76/21/49/475762149.db2.gz YBJUFZFVCCKDNK-UHFFFAOYSA-N 1 3 342.578 2.906 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353206715 475769443 /nfs/dbraw/zinc/76/94/43/475769443.db2.gz QMJCMYQECFOYPM-CTNGQTDRSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353206715 475769450 /nfs/dbraw/zinc/76/94/50/475769450.db2.gz QMJCMYQECFOYPM-CTNGQTDRSA-N 1 3 343.515 2.875 20 0 EFADHO OC[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000297471322 475770518 /nfs/dbraw/zinc/77/05/18/475770518.db2.gz RDJQWHZVFPITRX-RTWAWAEBSA-N 1 3 337.467 2.806 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000340120028 475773688 /nfs/dbraw/zinc/77/36/88/475773688.db2.gz DUJVKLNWWLRXTO-HOJAQTOUSA-N 1 3 343.515 2.703 20 0 EFADHO CSC1(CNCc2cncc(Br)c2)CC[NH+](C)CC1 ZINC000353214449 475776252 /nfs/dbraw/zinc/77/62/52/475776252.db2.gz VFTXBTMZMBFBFN-UHFFFAOYSA-N 1 3 344.322 2.761 20 0 EFADHO CC(C)(CCC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000340133330 475785184 /nfs/dbraw/zinc/78/51/84/475785184.db2.gz FHAYPTAHOUAQFN-INIZCTEOSA-N 1 3 335.467 2.671 20 0 EFADHO CSC1(CNCc2ccc(Br)cn2)CC[NH+](C)CC1 ZINC000353235443 475791179 /nfs/dbraw/zinc/79/11/79/475791179.db2.gz ZACWZJLKQYXPAP-UHFFFAOYSA-N 1 3 344.322 2.761 20 0 EFADHO CC(C)N1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000361844531 475803841 /nfs/dbraw/zinc/80/38/41/475803841.db2.gz VXXHABYYAQHEQB-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC1(C)CC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC(C)(C)[NH2+]1 ZINC000333040761 475819329 /nfs/dbraw/zinc/81/93/29/475819329.db2.gz OJGWRXUZFFHOQO-INIZCTEOSA-N 1 3 336.524 2.612 20 0 EFADHO CN(C)Cc1ccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)cc1 ZINC000340197174 475847973 /nfs/dbraw/zinc/84/79/73/475847973.db2.gz RHMBNJWCDVDUTR-UHFFFAOYSA-N 1 3 338.499 2.897 20 0 EFADHO CC(C)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000340195274 475848591 /nfs/dbraw/zinc/84/85/91/475848591.db2.gz JJJGBAZOQVHGBP-PXNSSMCTSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1nccn1CCCN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000348757017 475851289 /nfs/dbraw/zinc/85/12/89/475851289.db2.gz SKMGXSLZCSUREG-INIZCTEOSA-N 1 3 345.516 2.682 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc4ccccc4c3)CC2)C1 ZINC000333199816 475867585 /nfs/dbraw/zinc/86/75/85/475867585.db2.gz XJBYBGSSDKTFJA-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCCN1C ZINC000346805551 475873571 /nfs/dbraw/zinc/87/35/71/475873571.db2.gz PWWFFKYWKBBPHZ-OBJCFNGXSA-N 1 3 327.516 2.969 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000353326939 475874229 /nfs/dbraw/zinc/87/42/29/475874229.db2.gz ARDGGKHXHUZCPJ-NBVRZTHBSA-N 1 3 345.531 2.852 20 0 EFADHO CS(=O)(=O)CC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000340260290 475896590 /nfs/dbraw/zinc/89/65/90/475896590.db2.gz QQGTVCCUVHNUEF-UHFFFAOYSA-N 1 3 342.549 2.586 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000355408223 475909830 /nfs/dbraw/zinc/90/98/30/475909830.db2.gz JICUEKWJMCSRAG-CALCHBBNSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000355408223 475909835 /nfs/dbraw/zinc/90/98/35/475909835.db2.gz JICUEKWJMCSRAG-CALCHBBNSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000355408223 475909840 /nfs/dbraw/zinc/90/98/40/475909840.db2.gz JICUEKWJMCSRAG-CALCHBBNSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000355408223 475909848 /nfs/dbraw/zinc/90/98/48/475909848.db2.gz JICUEKWJMCSRAG-CALCHBBNSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000340281686 475913598 /nfs/dbraw/zinc/91/35/98/475913598.db2.gz WZHFCIWFDRPLFL-NUJGCVRESA-N 1 3 326.525 2.605 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000358771802 475923147 /nfs/dbraw/zinc/92/31/47/475923147.db2.gz WUTMGFIMDCKQPB-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC[NH+](C)C)N(C)C)cc1 ZINC000358779109 475931626 /nfs/dbraw/zinc/93/16/26/475931626.db2.gz VDMMVNOXWUBYDK-IBGZPJMESA-N 1 3 348.535 2.691 20 0 EFADHO CCN(CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)C1CC1 ZINC000338474865 475940511 /nfs/dbraw/zinc/94/05/11/475940511.db2.gz LSBOAUOLEDIJKD-SFHVURJKSA-N 1 3 338.540 2.526 20 0 EFADHO O=C1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CN1 ZINC000353407481 475943957 /nfs/dbraw/zinc/94/39/57/475943957.db2.gz WMAZDZFPZXGJBZ-IYWMVGAKSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CN1 ZINC000353407481 475943964 /nfs/dbraw/zinc/94/39/64/475943964.db2.gz WMAZDZFPZXGJBZ-IYWMVGAKSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1 ZINC000353407481 475943971 /nfs/dbraw/zinc/94/39/71/475943971.db2.gz WMAZDZFPZXGJBZ-IYWMVGAKSA-N 1 3 341.499 2.545 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000353409844 475946022 /nfs/dbraw/zinc/94/60/22/475946022.db2.gz GKGSKWOAZRURDI-LJQANCHMSA-N 1 3 344.503 2.561 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(CC)CC ZINC000362031793 475950527 /nfs/dbraw/zinc/95/05/27/475950527.db2.gz FHEUWHPLSAGATG-YTQUADARSA-N 1 3 337.552 2.728 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000338487799 475950992 /nfs/dbraw/zinc/95/09/92/475950992.db2.gz XOFIEPCJSSTILN-WMZOPIPTSA-N 1 3 334.508 2.627 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362034284 475951971 /nfs/dbraw/zinc/95/19/71/475951971.db2.gz XQADYXCHOFJXEZ-QXAKKESOSA-N 1 3 337.552 2.728 20 0 EFADHO CC(C)CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362035179 475953383 /nfs/dbraw/zinc/95/33/83/475953383.db2.gz ZPBGPQQFKOXRSV-YTQUADARSA-N 1 3 337.552 2.584 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362035176 475953738 /nfs/dbraw/zinc/95/37/38/475953738.db2.gz ZPBGPQQFKOXRSV-BHIYHBOVSA-N 1 3 337.552 2.584 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000355457995 475955882 /nfs/dbraw/zinc/95/58/82/475955882.db2.gz JCQWSLATKFGXAD-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000338498470 475956487 /nfs/dbraw/zinc/95/64/87/475956487.db2.gz FEKBFMVTOUKGKL-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CC[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)N1CCc2ccccc2C1 ZINC000353432325 475960890 /nfs/dbraw/zinc/96/08/90/475960890.db2.gz SALWLYHTMBGNML-HSALFYBXSA-N 1 3 343.515 2.574 20 0 EFADHO CC[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)N1CCc2ccccc2C1 ZINC000353432324 475960988 /nfs/dbraw/zinc/96/09/88/475960988.db2.gz SALWLYHTMBGNML-AQNXPRMDSA-N 1 3 343.515 2.574 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)N(C)C ZINC000353432590 475961852 /nfs/dbraw/zinc/96/18/52/475961852.db2.gz CCKIYLKLIWZSNT-YSHGAJCASA-N 1 3 331.504 2.760 20 0 EFADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccc(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333566021 475968407 /nfs/dbraw/zinc/96/84/07/475968407.db2.gz LTAUDQGIDBIWBZ-GFCCVEGCSA-N 1 3 348.397 2.979 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000353452809 475981278 /nfs/dbraw/zinc/98/12/78/475981278.db2.gz RAEZGDVYZCYMFC-QYZOEREBSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000353452803 475981684 /nfs/dbraw/zinc/98/16/84/475981684.db2.gz RAEZGDVYZCYMFC-FHWLQOOXSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000353456986 475984900 /nfs/dbraw/zinc/98/49/00/475984900.db2.gz XQLGGUJENFIQRA-OAHLLOKOSA-N 1 3 339.474 2.902 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358855762 475991557 /nfs/dbraw/zinc/99/15/57/475991557.db2.gz MNVPIKJYXOABEB-CRAIPNDOSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358855762 475991564 /nfs/dbraw/zinc/99/15/64/475991564.db2.gz MNVPIKJYXOABEB-CRAIPNDOSA-N 1 3 349.494 2.885 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358858361 475992560 /nfs/dbraw/zinc/99/25/60/475992560.db2.gz QWPCXXVDLAQILD-GPMSIDNRSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000349745764 475993838 /nfs/dbraw/zinc/99/38/38/475993838.db2.gz PGCRYTURQPFCRH-QZTJIDSGSA-N 1 3 340.556 2.870 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137159 475995236 /nfs/dbraw/zinc/99/52/36/475995236.db2.gz BVPYYJHRIUMBAD-ROUUACIJSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137159 475995245 /nfs/dbraw/zinc/99/52/45/475995245.db2.gz BVPYYJHRIUMBAD-ROUUACIJSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353467093 475995390 /nfs/dbraw/zinc/99/53/90/475995390.db2.gz KSQLHISFEAUBEI-NQYYFHDYSA-N 1 3 329.488 2.572 20 0 EFADHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522037 476005156 /nfs/dbraw/zinc/00/51/56/476005156.db2.gz AFESZLYDTIXBGY-PWRODBHTSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](NCCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522037 476005164 /nfs/dbraw/zinc/00/51/64/476005164.db2.gz AFESZLYDTIXBGY-PWRODBHTSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522037 476005167 /nfs/dbraw/zinc/00/51/67/476005167.db2.gz AFESZLYDTIXBGY-PWRODBHTSA-N 1 3 325.500 2.749 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000355526666 476008646 /nfs/dbraw/zinc/00/86/46/476008646.db2.gz LBOBDWPFMHQRLC-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000355526666 476008653 /nfs/dbraw/zinc/00/86/53/476008653.db2.gz LBOBDWPFMHQRLC-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000355532643 476012855 /nfs/dbraw/zinc/01/28/55/476012855.db2.gz ZZAYYYALYKIXOV-KRWDZBQOSA-N 1 3 344.503 2.518 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000349881115 476015484 /nfs/dbraw/zinc/01/54/84/476015484.db2.gz RMPSLMKVZNHXMW-IRXDYDNUSA-N 1 3 334.508 2.536 20 0 EFADHO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3CCN(C)C3)n2)cc1 ZINC000349940116 476021926 /nfs/dbraw/zinc/02/19/26/476021926.db2.gz JFZQMYFHPMBCBE-MRXNPFEDSA-N 1 3 344.459 2.876 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)CO2 ZINC000333793246 476029645 /nfs/dbraw/zinc/02/96/45/476029645.db2.gz GMSVHLUBFMUIMX-OFSFZPRKSA-N 1 3 342.483 2.742 20 0 EFADHO CC(C)(C)N1CCC([NH2+]Cc2cccc(N3CCOCC3)c2)CC1 ZINC000340428030 476030164 /nfs/dbraw/zinc/03/01/64/476030164.db2.gz IMCAUNDFAKYWFD-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO CCOCCOCc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298242819 476030924 /nfs/dbraw/zinc/03/09/24/476030924.db2.gz CONRTWOGKWNHKY-UHFFFAOYSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000333811199 476034672 /nfs/dbraw/zinc/03/46/72/476034672.db2.gz JIDIDQIATRVVLU-SPZRFILISA-N 1 3 347.547 2.911 20 0 EFADHO Clc1ccc(CNCCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000340456345 476045788 /nfs/dbraw/zinc/04/57/88/476045788.db2.gz AZRZTHGOJTYYAG-UHFFFAOYSA-N 1 3 334.851 2.630 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)N(C)C)cc1 ZINC000353526757 476047498 /nfs/dbraw/zinc/04/74/98/476047498.db2.gz SCFHPTCQCYBNOS-ZCNNSNEGSA-N 1 3 343.515 2.604 20 0 EFADHO COc1ccc2c(c1)OC[C@H]([NH2+]CC1(N)C3CC4CC(C3)CC1C4)C2 ZINC000333862325 476047723 /nfs/dbraw/zinc/04/77/23/476047723.db2.gz SJKCKDPSMDZZTI-XJEJZOBISA-N 1 3 342.483 2.742 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338614058 476056744 /nfs/dbraw/zinc/05/67/44/476056744.db2.gz LNGAQOIIXVMOEL-MRXNPFEDSA-N 1 3 340.899 2.584 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353537747 476058068 /nfs/dbraw/zinc/05/80/68/476058068.db2.gz QXEFPJYNTCSGAR-IBGZPJMESA-N 1 3 336.499 2.925 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCN1C ZINC000343441148 476067384 /nfs/dbraw/zinc/06/73/84/476067384.db2.gz BVLKCCQFCNCSQG-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO Cc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N2CCOCC2)cc1 ZINC000298376508 476073497 /nfs/dbraw/zinc/07/34/97/476073497.db2.gz KZMJRBYEMJLGRM-OAQYLSRUSA-N 1 3 343.515 2.585 20 0 EFADHO Cc1cccc([C@H](CNC2CC[NH+](C3CC3)CC2)N2CCOCC2)c1 ZINC000298385543 476075252 /nfs/dbraw/zinc/07/52/52/476075252.db2.gz LDXVCWZLGOZCPF-NRFANRHFSA-N 1 3 343.515 2.585 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000353564769 476082505 /nfs/dbraw/zinc/08/25/05/476082505.db2.gz IJZUYAQQDLDCHA-WMLDXEAASA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000353564769 476082511 /nfs/dbraw/zinc/08/25/11/476082511.db2.gz IJZUYAQQDLDCHA-WMLDXEAASA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000353564769 476082517 /nfs/dbraw/zinc/08/25/17/476082517.db2.gz IJZUYAQQDLDCHA-WMLDXEAASA-N 1 3 330.501 2.889 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000359040458 476137256 /nfs/dbraw/zinc/13/72/56/476137256.db2.gz VPJNHCZDMYKKBG-TWRYWWQQSA-N 1 3 333.442 2.722 20 0 EFADHO CSC1(CN[C@@H](C)c2cnc3cc(C)nn3c2C)CC[NH+](C)CC1 ZINC000353632820 476140811 /nfs/dbraw/zinc/14/08/11/476140811.db2.gz VEHFMFCAQUXJCI-AWEZNQCLSA-N 1 3 347.532 2.824 20 0 EFADHO CSC1(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CCN(C)CC1 ZINC000353632820 476140816 /nfs/dbraw/zinc/14/08/16/476140816.db2.gz VEHFMFCAQUXJCI-AWEZNQCLSA-N 1 3 347.532 2.824 20 0 EFADHO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCC[C@@H]1C ZINC000344149434 476165210 /nfs/dbraw/zinc/16/52/10/476165210.db2.gz UIHWQMGCZZXGSO-MLHJIOFPSA-N 1 3 336.524 2.518 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H](C1CC1)N1CCCC1 ZINC000353673190 476175949 /nfs/dbraw/zinc/17/59/49/476175949.db2.gz BMEFGGUPJSAWOY-IBGZPJMESA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000357036712 476178304 /nfs/dbraw/zinc/17/83/04/476178304.db2.gz JXVIMGSUTRHDAV-KURKYZTESA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000357036712 476178306 /nfs/dbraw/zinc/17/83/06/476178306.db2.gz JXVIMGSUTRHDAV-KURKYZTESA-N 1 3 331.504 2.886 20 0 EFADHO CC[NH2+]CC1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000347221120 476180820 /nfs/dbraw/zinc/18/08/20/476180820.db2.gz TZIUXDMEDVYKKQ-UHFFFAOYSA-N 1 3 342.487 2.821 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cn2)cc1 ZINC000357045084 476183951 /nfs/dbraw/zinc/18/39/51/476183951.db2.gz HPJYXZQLHWOPIU-IBGZPJMESA-N 1 3 342.462 2.892 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)CC1 ZINC000344262341 476196768 /nfs/dbraw/zinc/19/67/68/476196768.db2.gz WTWVYQXKYUBOMW-WMZOPIPTSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]1[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000344265059 476199016 /nfs/dbraw/zinc/19/90/16/476199016.db2.gz YVFAYEBCRUPMFC-QFBILLFUSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357070249 476204909 /nfs/dbraw/zinc/20/49/09/476204909.db2.gz GAUPIPFLOQWWOF-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357078971 476213150 /nfs/dbraw/zinc/21/31/50/476213150.db2.gz CCAUTUOHRCRABA-GOSISDBHSA-N 1 3 343.471 2.539 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359226037 476215009 /nfs/dbraw/zinc/21/50/09/476215009.db2.gz MWPGSWGVVLMFNC-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359226037 476215018 /nfs/dbraw/zinc/21/50/18/476215018.db2.gz MWPGSWGVVLMFNC-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000347268436 476218290 /nfs/dbraw/zinc/21/82/90/476218290.db2.gz JILZLYYPXAARPE-NVXWUHKLSA-N 1 3 345.512 2.688 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000359333135 476223857 /nfs/dbraw/zinc/22/38/57/476223857.db2.gz SDYRCMMHLYTCKI-ARFHVFGLSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359333135 476223866 /nfs/dbraw/zinc/22/38/66/476223866.db2.gz SDYRCMMHLYTCKI-ARFHVFGLSA-N 1 3 338.496 2.737 20 0 EFADHO COc1ccsc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000350517831 476226518 /nfs/dbraw/zinc/22/65/18/476226518.db2.gz ZFPDIAPLHPYHJY-UHFFFAOYSA-N 1 3 337.533 2.606 20 0 EFADHO Cc1cc(CN(C)CCOCC[NH3+])cc(C)c1OCC(F)(F)F ZINC000357100453 476232017 /nfs/dbraw/zinc/23/20/17/476232017.db2.gz FYIWVVIKACPPQU-UHFFFAOYSA-N 1 3 334.382 2.652 20 0 EFADHO C[C@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000359442182 476233861 /nfs/dbraw/zinc/23/38/61/476233861.db2.gz ROHZXRXFJTUADG-SFHVURJKSA-N 1 3 330.520 2.900 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000353745565 476239162 /nfs/dbraw/zinc/23/91/62/476239162.db2.gz JMGNSDRIHVQVIJ-ICSRJNTNSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000353745565 476239169 /nfs/dbraw/zinc/23/91/69/476239169.db2.gz JMGNSDRIHVQVIJ-ICSRJNTNSA-N 1 3 344.547 2.743 20 0 EFADHO Cc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)cc2cccnc12 ZINC000344333358 476258306 /nfs/dbraw/zinc/25/83/06/476258306.db2.gz PHFDQNOZWALIGA-UHFFFAOYSA-N 1 3 327.472 2.868 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000304002761 476259735 /nfs/dbraw/zinc/25/97/35/476259735.db2.gz RSWHOCMYKNQWOZ-QGZVFWFLSA-N 1 3 340.895 2.634 20 0 EFADHO CC[C@H](O)[C@@H]1CCCCN1CC(C)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246515 476271715 /nfs/dbraw/zinc/27/17/15/476271715.db2.gz OIZRDFMTWOOLNQ-MUGJNUQGSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@H](O)[C@@H]1CCCCN1CC(C)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246515 476271719 /nfs/dbraw/zinc/27/17/19/476271719.db2.gz OIZRDFMTWOOLNQ-MUGJNUQGSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360006348 476282033 /nfs/dbraw/zinc/28/20/33/476282033.db2.gz JQJBNLVZBTWNDI-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360006348 476282038 /nfs/dbraw/zinc/28/20/38/476282038.db2.gz JQJBNLVZBTWNDI-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@@H]1C ZINC000362501783 476285901 /nfs/dbraw/zinc/28/59/01/476285901.db2.gz HXZDYXALIBBCPF-DOTOQJQBSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@@H]1C ZINC000362501783 476285905 /nfs/dbraw/zinc/28/59/05/476285905.db2.gz HXZDYXALIBBCPF-DOTOQJQBSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@@H]1C ZINC000362501785 476286429 /nfs/dbraw/zinc/28/64/29/476286429.db2.gz HXZDYXALIBBCPF-RDJZCZTQSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@@H]1C ZINC000362501785 476286432 /nfs/dbraw/zinc/28/64/32/476286432.db2.gz HXZDYXALIBBCPF-RDJZCZTQSA-N 1 3 333.476 2.828 20 0 EFADHO C[C@@H](NCCn1cnnc1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357227363 476296954 /nfs/dbraw/zinc/29/69/54/476296954.db2.gz FBEHOJSXHNFDNF-VQIMIIECSA-N 1 3 339.487 2.656 20 0 EFADHO C[C@@H](NCCn1cnnc1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227363 476296959 /nfs/dbraw/zinc/29/69/59/476296959.db2.gz FBEHOJSXHNFDNF-VQIMIIECSA-N 1 3 339.487 2.656 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)NC[C@@H]1NCCc2ccccc21 ZINC000357238550 476300858 /nfs/dbraw/zinc/30/08/58/476300858.db2.gz IBXYWYTWUZARNV-IBGZPJMESA-N 1 3 331.504 2.892 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863897 476304568 /nfs/dbraw/zinc/30/45/68/476304568.db2.gz HEFPTISSIHBKIQ-AEFFLSMTSA-N 1 3 330.476 2.561 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362594681 476321421 /nfs/dbraw/zinc/32/14/21/476321421.db2.gz VXQUAYBYEHWURT-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362594684 476321438 /nfs/dbraw/zinc/32/14/38/476321438.db2.gz VXQUAYBYEHWURT-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H]1CC[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362625234 476331427 /nfs/dbraw/zinc/33/14/27/476331427.db2.gz ZIFDCRWXLLARCR-RDJZCZTQSA-N 1 3 336.524 2.518 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353950812 476334003 /nfs/dbraw/zinc/33/40/03/476334003.db2.gz HAAYDNPHDBGEGB-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353950812 476334008 /nfs/dbraw/zinc/33/40/08/476334008.db2.gz HAAYDNPHDBGEGB-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CN2CCCC2)c2ccccc2C1 ZINC000360672150 476336876 /nfs/dbraw/zinc/33/68/76/476336876.db2.gz NOFKJPKUKFFROB-OXQOHEQNSA-N 1 3 329.488 2.801 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353971457 476342595 /nfs/dbraw/zinc/34/25/95/476342595.db2.gz KAMIYEUUSDJTLH-UHFFFAOYSA-N 1 3 343.471 2.525 20 0 EFADHO CC(C)(C)[NH+]1CCC(NCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353971457 476342598 /nfs/dbraw/zinc/34/25/98/476342598.db2.gz KAMIYEUUSDJTLH-UHFFFAOYSA-N 1 3 343.471 2.525 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000357363054 476346130 /nfs/dbraw/zinc/34/61/30/476346130.db2.gz NHZMOYAYISPLCR-SJORKVTESA-N 1 3 349.494 2.742 20 0 EFADHO CCCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000354019095 476369439 /nfs/dbraw/zinc/36/94/39/476369439.db2.gz UIFJSGMGBYUJDE-RXVVDRJESA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000354019095 476369446 /nfs/dbraw/zinc/36/94/46/476369446.db2.gz UIFJSGMGBYUJDE-RXVVDRJESA-N 1 3 345.531 2.933 20 0 EFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354026673 476376057 /nfs/dbraw/zinc/37/60/57/476376057.db2.gz XOSIGQVCQAMCQN-DYESRHJHSA-N 1 3 338.499 2.693 20 0 EFADHO Cc1n[nH]c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000354033145 476379947 /nfs/dbraw/zinc/37/99/47/476379947.db2.gz IRXRXXQRBRXSBM-GASCZTMLSA-N 1 3 334.508 2.738 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2csc(CC)n2)[C@H](C)C1 ZINC000360820365 476408048 /nfs/dbraw/zinc/40/80/48/476408048.db2.gz JPSOMWHEUDLNJO-NVXWUHKLSA-N 1 3 339.549 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2csc(CC)n2)[C@H](C)C1 ZINC000360820365 476408053 /nfs/dbraw/zinc/40/80/53/476408053.db2.gz JPSOMWHEUDLNJO-NVXWUHKLSA-N 1 3 339.549 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000363494992 476410348 /nfs/dbraw/zinc/41/03/48/476410348.db2.gz FFGWPKNIIRRKRC-FQEVSTJZSA-N 1 3 345.531 2.644 20 0 EFADHO CCCn1nc(C)c(CN2CC[C@H](OCC[NH+](CC)CC)C2)c1C ZINC000354085156 476414339 /nfs/dbraw/zinc/41/43/39/476414339.db2.gz URPHFJKNCIOZJK-SFHVURJKSA-N 1 3 336.524 2.843 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN1CCCC1 ZINC000362810235 476420652 /nfs/dbraw/zinc/42/06/52/476420652.db2.gz XMLMZBUIKNYDIB-AEFFLSMTSA-N 1 3 345.487 2.606 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN1CCCC1 ZINC000362810235 476420657 /nfs/dbraw/zinc/42/06/57/476420657.db2.gz XMLMZBUIKNYDIB-AEFFLSMTSA-N 1 3 345.487 2.606 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000357529140 476434114 /nfs/dbraw/zinc/43/41/14/476434114.db2.gz CHOPKJFWGNGBMT-YVSFHVDLSA-N 1 3 348.491 2.587 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000357529140 476434122 /nfs/dbraw/zinc/43/41/22/476434122.db2.gz CHOPKJFWGNGBMT-YVSFHVDLSA-N 1 3 348.491 2.587 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000373941147 476442789 /nfs/dbraw/zinc/44/27/89/476442789.db2.gz CISZGRBZZBULSF-UAGQMJEPSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000373941147 476442796 /nfs/dbraw/zinc/44/27/96/476442796.db2.gz CISZGRBZZBULSF-UAGQMJEPSA-N 1 3 331.460 2.629 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362923834 476483775 /nfs/dbraw/zinc/48/37/75/476483775.db2.gz LYPCYBJGTFOLID-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000354179041 476485111 /nfs/dbraw/zinc/48/51/11/476485111.db2.gz YXGLAJGMAJKOHP-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000369703976 476485780 /nfs/dbraw/zinc/48/57/80/476485780.db2.gz WQLOVQGGSMTYMW-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000369703976 476485785 /nfs/dbraw/zinc/48/57/85/476485785.db2.gz WQLOVQGGSMTYMW-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000369703981 476486131 /nfs/dbraw/zinc/48/61/31/476486131.db2.gz WQLOVQGGSMTYMW-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000369703981 476486135 /nfs/dbraw/zinc/48/61/35/476486135.db2.gz WQLOVQGGSMTYMW-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H](CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)N1CCCC[C@H]1C ZINC000351627291 476486895 /nfs/dbraw/zinc/48/68/95/476486895.db2.gz GCBLXZIRGCLYAJ-BRWVUGGUSA-N 1 3 338.540 2.621 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000351791126 476499314 /nfs/dbraw/zinc/49/93/14/476499314.db2.gz RDNVDVNJGASGTM-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000357642328 476508091 /nfs/dbraw/zinc/50/80/91/476508091.db2.gz JWROKWNTENHRQB-AWEZNQCLSA-N 1 3 348.491 2.660 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369758830 476511155 /nfs/dbraw/zinc/51/11/55/476511155.db2.gz BIDHYGFJLMJMJA-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369758830 476511162 /nfs/dbraw/zinc/51/11/62/476511162.db2.gz BIDHYGFJLMJMJA-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000369760381 476511774 /nfs/dbraw/zinc/51/17/74/476511774.db2.gz OGELJHZHIKPDLW-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369760381 476511780 /nfs/dbraw/zinc/51/17/80/476511780.db2.gz OGELJHZHIKPDLW-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000357740408 476569913 /nfs/dbraw/zinc/56/99/13/476569913.db2.gz JLQIJTJDXKUJBJ-WMZOPIPTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000357740408 476569915 /nfs/dbraw/zinc/56/99/15/476569915.db2.gz JLQIJTJDXKUJBJ-WMZOPIPTSA-N 1 3 334.508 2.626 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1)C1CC1 ZINC000361082525 476588043 /nfs/dbraw/zinc/58/80/43/476588043.db2.gz VQRZMUXOTULESB-UXHICEINSA-N 1 3 341.499 2.789 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1OC ZINC000357776552 476595600 /nfs/dbraw/zinc/59/56/00/476595600.db2.gz DIPXIAIPWXRPGX-AEFFLSMTSA-N 1 3 347.503 2.632 20 0 EFADHO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000354344751 476600227 /nfs/dbraw/zinc/60/02/27/476600227.db2.gz AKDYKLTUERLDFX-UXHICEINSA-N 1 3 339.568 2.571 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000354354748 476606329 /nfs/dbraw/zinc/60/63/29/476606329.db2.gz YVBLFUBQWGKUCO-GOSISDBHSA-N 1 3 332.488 2.730 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000354354748 476606335 /nfs/dbraw/zinc/60/63/35/476606335.db2.gz YVBLFUBQWGKUCO-GOSISDBHSA-N 1 3 332.488 2.730 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000354354748 476606344 /nfs/dbraw/zinc/60/63/44/476606344.db2.gz YVBLFUBQWGKUCO-GOSISDBHSA-N 1 3 332.488 2.730 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)C1 ZINC000357800977 476614131 /nfs/dbraw/zinc/61/41/31/476614131.db2.gz FQLQKRCIVZAELI-OXQOHEQNSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)C1 ZINC000357800977 476614135 /nfs/dbraw/zinc/61/41/35/476614135.db2.gz FQLQKRCIVZAELI-OXQOHEQNSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)C1 ZINC000357800974 476614936 /nfs/dbraw/zinc/61/49/36/476614936.db2.gz FQLQKRCIVZAELI-JXFKEZNVSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)C1 ZINC000357800974 476614943 /nfs/dbraw/zinc/61/49/43/476614943.db2.gz FQLQKRCIVZAELI-JXFKEZNVSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)C1 ZINC000357800976 476615094 /nfs/dbraw/zinc/61/50/94/476615094.db2.gz FQLQKRCIVZAELI-OXJNMPFZSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)C1 ZINC000357800976 476615102 /nfs/dbraw/zinc/61/51/02/476615102.db2.gz FQLQKRCIVZAELI-OXJNMPFZSA-N 1 3 345.487 2.878 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)[C@H]1c1cccs1 ZINC000357804942 476617152 /nfs/dbraw/zinc/61/71/52/476617152.db2.gz MYTGTAZRKZJVJZ-HFTRVMKXSA-N 1 3 335.517 2.779 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357812403 476623804 /nfs/dbraw/zinc/62/38/04/476623804.db2.gz HIVHBXHEMDBLIH-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000357812403 476623809 /nfs/dbraw/zinc/62/38/09/476623809.db2.gz HIVHBXHEMDBLIH-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CCN(C)CC1)CC(C)C ZINC000357815812 476626020 /nfs/dbraw/zinc/62/60/20/476626020.db2.gz NOFCNZLKIOHJTD-FUHWJXTLSA-N 1 3 338.540 2.693 20 0 EFADHO Cn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)c(C(F)F)n1 ZINC000361143774 476634868 /nfs/dbraw/zinc/63/48/68/476634868.db2.gz LZEZBAGCNBALHQ-OAHLLOKOSA-N 1 3 334.414 2.969 20 0 EFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000354451306 476669700 /nfs/dbraw/zinc/66/97/00/476669700.db2.gz AVLYYPWIDDEUIN-CTNGQTDRSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000354459458 476674244 /nfs/dbraw/zinc/67/42/44/476674244.db2.gz ZITNLVICTOZRGC-ROUUACIJSA-N 1 3 344.547 2.741 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000378075739 476683597 /nfs/dbraw/zinc/68/35/97/476683597.db2.gz KXYDSUYBHKNUHA-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000378075739 476683599 /nfs/dbraw/zinc/68/35/99/476683599.db2.gz KXYDSUYBHKNUHA-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO CC[NH+]1CCN(c2cccc(NC(=O)CN3[C@@H](C)CC[C@@H]3C)c2)CC1 ZINC000354496561 476686606 /nfs/dbraw/zinc/68/66/06/476686606.db2.gz OIJDYTSVAYDOLR-IRXDYDNUSA-N 1 3 344.503 2.640 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1)C1CC1 ZINC000442603865 476697814 /nfs/dbraw/zinc/69/78/14/476697814.db2.gz WNMWAMKFTAFZAI-MRXNPFEDSA-N 1 3 329.488 2.872 20 0 EFADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443064481 476707528 /nfs/dbraw/zinc/70/75/28/476707528.db2.gz YIMLSUOBKBXEHR-SJLPKXTDSA-N 1 3 347.503 2.713 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422626014 476721219 /nfs/dbraw/zinc/72/12/19/476721219.db2.gz DAPJOKPYWRYSJT-AGIUHOORSA-N 1 3 325.403 2.599 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000422636209 476725965 /nfs/dbraw/zinc/72/59/65/476725965.db2.gz MPYVHIBDYLABES-NDUPCHFUSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000422636209 476725971 /nfs/dbraw/zinc/72/59/71/476725971.db2.gz MPYVHIBDYLABES-NDUPCHFUSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000422636209 476725977 /nfs/dbraw/zinc/72/59/77/476725977.db2.gz MPYVHIBDYLABES-NDUPCHFUSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000444665806 476726514 /nfs/dbraw/zinc/72/65/14/476726514.db2.gz VGASTNOCKPNIII-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000444665806 476726519 /nfs/dbraw/zinc/72/65/19/476726519.db2.gz VGASTNOCKPNIII-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422688397 476732038 /nfs/dbraw/zinc/73/20/38/476732038.db2.gz CXAOQYYBNHCQSE-UTKZUKDTSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccncc2)CC1 ZINC000422688397 476732044 /nfs/dbraw/zinc/73/20/44/476732044.db2.gz CXAOQYYBNHCQSE-UTKZUKDTSA-N 1 3 338.499 2.594 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701381 476736325 /nfs/dbraw/zinc/73/63/25/476736325.db2.gz BTZUWHILVSFMBM-NOLJZWGESA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701381 476736329 /nfs/dbraw/zinc/73/63/29/476736329.db2.gz BTZUWHILVSFMBM-NOLJZWGESA-N 1 3 338.293 2.745 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000381387489 476738248 /nfs/dbraw/zinc/73/82/48/476738248.db2.gz TZIGCKUKNQHMPG-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381387489 476738253 /nfs/dbraw/zinc/73/82/53/476738253.db2.gz TZIGCKUKNQHMPG-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381387489 476738258 /nfs/dbraw/zinc/73/82/58/476738258.db2.gz TZIGCKUKNQHMPG-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000422712308 476739450 /nfs/dbraw/zinc/73/94/50/476739450.db2.gz IHPYMUKWFZXHRA-SPEDKVCISA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)N1CCc2ccccc2C1 ZINC000422712308 476739455 /nfs/dbraw/zinc/73/94/55/476739455.db2.gz IHPYMUKWFZXHRA-SPEDKVCISA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422711101 476739712 /nfs/dbraw/zinc/73/97/12/476739712.db2.gz MGGJVEXFEDRVIC-SGMGOOAPSA-N 1 3 326.282 2.743 20 0 EFADHO O=C(NCc1ccc2c(c1)CNC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000375254634 476741179 /nfs/dbraw/zinc/74/11/79/476741179.db2.gz ZZSMQKJSMKLHTO-UHFFFAOYSA-N 1 3 349.478 2.818 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422720051 476742096 /nfs/dbraw/zinc/74/20/96/476742096.db2.gz ZLMQCDZBYLXCID-AVGNSLFASA-N 1 3 326.282 2.743 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H]1CC[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000422720791 476742599 /nfs/dbraw/zinc/74/25/99/476742599.db2.gz TWMQQEICUQZHQT-SXLOBPIMSA-N 1 3 333.520 2.674 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422719238 476743156 /nfs/dbraw/zinc/74/31/56/476743156.db2.gz XZAVBZOHRGFIEW-CWFSZBLJSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000422719238 476743163 /nfs/dbraw/zinc/74/31/63/476743163.db2.gz XZAVBZOHRGFIEW-CWFSZBLJSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000382699444 476745935 /nfs/dbraw/zinc/74/59/35/476745935.db2.gz LOCFRCLYWCMGLL-OALUTQOASA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000445524802 476747681 /nfs/dbraw/zinc/74/76/81/476747681.db2.gz QCOQTYQARFZABD-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000445524802 476747686 /nfs/dbraw/zinc/74/76/86/476747686.db2.gz QCOQTYQARFZABD-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000445524802 476747691 /nfs/dbraw/zinc/74/76/91/476747691.db2.gz QCOQTYQARFZABD-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451961194 476747736 /nfs/dbraw/zinc/74/77/36/476747736.db2.gz CWOFCNYOJHSBRO-SFHVURJKSA-N 1 3 325.566 2.622 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451961194 476747745 /nfs/dbraw/zinc/74/77/45/476747745.db2.gz CWOFCNYOJHSBRO-SFHVURJKSA-N 1 3 325.566 2.622 20 0 EFADHO C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382735551 476747992 /nfs/dbraw/zinc/74/79/92/476747992.db2.gz HHKLDCUEQRKIKK-OALUTQOASA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422729908 476748774 /nfs/dbraw/zinc/74/87/74/476748774.db2.gz LGTQFYWTWODGQT-XOKHGSTOSA-N 1 3 341.421 2.867 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365888053 476751503 /nfs/dbraw/zinc/75/15/03/476751503.db2.gz VNRMJYFQSMKYEB-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CSc1nnc(CCC[NH2+][C@@H]2CCCC[C@H]2CN)n1CC(C)C ZINC000422735013 476751701 /nfs/dbraw/zinc/75/17/01/476751701.db2.gz UEDSGQGPGRFCEP-LSDHHAIUSA-N 1 3 339.553 2.696 20 0 EFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736914 476752549 /nfs/dbraw/zinc/75/25/49/476752549.db2.gz YTGCWXKFXYNAID-XRXFAXGQSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422744106 476756481 /nfs/dbraw/zinc/75/64/81/476756481.db2.gz SHQIRYRXJLJQFE-KPACCLEDSA-N 1 3 343.515 2.569 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])N1CCCC1 ZINC000422749328 476757503 /nfs/dbraw/zinc/75/75/03/476757503.db2.gz YPPXOIIKZDOZCF-UHOSZYNNSA-N 1 3 331.504 2.939 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])N1CCCC1 ZINC000422749329 476757560 /nfs/dbraw/zinc/75/75/60/476757560.db2.gz YPPXOIIKZDOZCF-WDSOQIARSA-N 1 3 331.504 2.939 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751572 476759723 /nfs/dbraw/zinc/75/97/23/476759723.db2.gz BOOCNTGWCCUGJX-MJBXVCDLSA-N 1 3 325.403 2.584 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751572 476759727 /nfs/dbraw/zinc/75/97/27/476759727.db2.gz BOOCNTGWCCUGJX-MJBXVCDLSA-N 1 3 325.403 2.584 20 0 EFADHO OC[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422762437 476764650 /nfs/dbraw/zinc/76/46/50/476764650.db2.gz NQAQIBJTYGSQRU-MTFMMBMASA-N 1 3 334.479 2.877 20 0 EFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000386641051 476768775 /nfs/dbraw/zinc/76/87/75/476768775.db2.gz TYMUFJKAYTWEDN-FPOVZHCZSA-N 1 3 349.478 2.654 20 0 EFADHO c1cn(CCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000422773282 476769175 /nfs/dbraw/zinc/76/91/75/476769175.db2.gz ZRBWSXQPVSCZSL-CEXWTWQISA-N 1 3 327.472 2.778 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770741 476769215 /nfs/dbraw/zinc/76/92/15/476769215.db2.gz WOZPSGOZPHSRDE-SXLOBPIMSA-N 1 3 331.504 2.939 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000422771839 476770031 /nfs/dbraw/zinc/77/00/31/476770031.db2.gz RPHHUQZEBWQHEO-XUVXKRRUSA-N 1 3 331.504 2.568 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000387453458 476770928 /nfs/dbraw/zinc/77/09/28/476770928.db2.gz VIQOWVOZWUQPBH-SFHVURJKSA-N 1 3 340.895 2.680 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784235 476774717 /nfs/dbraw/zinc/77/47/17/476774717.db2.gz NTZUFNATQYIIMB-QSJFSLAZSA-N 1 3 337.895 2.651 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784235 476774721 /nfs/dbraw/zinc/77/47/21/476774721.db2.gz NTZUFNATQYIIMB-QSJFSLAZSA-N 1 3 337.895 2.651 20 0 EFADHO c1ccc2c(c1)C[C@H](N[C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422787151 476775204 /nfs/dbraw/zinc/77/52/04/476775204.db2.gz RBDGZBUOAKGVNT-MDKPJZGXSA-N 1 3 336.435 2.836 20 0 EFADHO CN1CC=C(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000370368274 476776235 /nfs/dbraw/zinc/77/62/35/476776235.db2.gz ZFMDBYKSXNVGAD-UHFFFAOYSA-N 1 3 348.535 2.736 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422793319 476777275 /nfs/dbraw/zinc/77/72/75/476777275.db2.gz XYPDOIDEOYJWPT-LAUBAEHRSA-N 1 3 337.511 2.634 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000445846723 476778079 /nfs/dbraw/zinc/77/80/79/476778079.db2.gz MNXMGUCXZWAXCG-SFHVURJKSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365955707 476782078 /nfs/dbraw/zinc/78/20/78/476782078.db2.gz XPUXYZJHVYAILA-JZXOWHBKSA-N 1 3 326.550 2.951 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@@H]3CCCC[C@H]3CN)CC2)c1 ZINC000422801458 476782360 /nfs/dbraw/zinc/78/23/60/476782360.db2.gz BYYBMDMJJXTXDS-PZJWPPBQSA-N 1 3 344.547 2.614 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422807643 476786225 /nfs/dbraw/zinc/78/62/25/476786225.db2.gz KAGUCVPYZXYMJN-DEPWHIHDSA-N 1 3 345.531 2.903 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000389898725 476786664 /nfs/dbraw/zinc/78/66/64/476786664.db2.gz BOXXDYHDZJVTOH-HTDHLNIYSA-N 1 3 341.499 2.544 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)cc1 ZINC000422809781 476788346 /nfs/dbraw/zinc/78/83/46/476788346.db2.gz QPXHHZYZXUKEHF-FKICDVMDSA-N 1 3 332.488 2.805 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000389994655 476789260 /nfs/dbraw/zinc/78/92/60/476789260.db2.gz PXXHFXOHKTWFDK-PIKOESSRSA-N 1 3 343.515 2.649 20 0 EFADHO c1cnc2c(c1)cccc2CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422818182 476791638 /nfs/dbraw/zinc/79/16/38/476791638.db2.gz JOWMHOYQGBFJFN-GBESFXJTSA-N 1 3 325.456 2.524 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccccc1OCCN(C)C ZINC000422819267 476793197 /nfs/dbraw/zinc/79/31/97/476793197.db2.gz HXLOZQFKPFWMFA-PXNSSMCTSA-N 1 3 341.499 2.675 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422819858 476793266 /nfs/dbraw/zinc/79/32/66/476793266.db2.gz JCSZHQVZGDSNFC-GXTWGEPZSA-N 1 3 339.867 2.703 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1CN ZINC000422819858 476793276 /nfs/dbraw/zinc/79/32/76/476793276.db2.gz JCSZHQVZGDSNFC-GXTWGEPZSA-N 1 3 339.867 2.703 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000422822203 476795106 /nfs/dbraw/zinc/79/51/06/476795106.db2.gz JJGLRCGRDJBFPX-JSGCOSHPSA-N 1 3 339.867 2.797 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H](C)C[C@H](C)[NH3+] ZINC000422824085 476795623 /nfs/dbraw/zinc/79/56/23/476795623.db2.gz MUQSSQSPTBCYKP-NWDGAFQWSA-N 1 3 327.856 2.701 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000422822298 476796245 /nfs/dbraw/zinc/79/62/45/476796245.db2.gz AOAHZARWANPEAC-QAPCUYQASA-N 1 3 333.476 2.785 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCN1 ZINC000422822204 476796314 /nfs/dbraw/zinc/79/63/14/476796314.db2.gz JJGLRCGRDJBFPX-OCCSQVGLSA-N 1 3 339.867 2.797 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cccc(Cn2ccnc2)c1 ZINC000422826720 476796996 /nfs/dbraw/zinc/79/69/96/476796996.db2.gz LYHPCOATEKHILW-LAUBAEHRSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422826720 476797007 /nfs/dbraw/zinc/79/70/07/476797007.db2.gz LYHPCOATEKHILW-LAUBAEHRSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826960 476797085 /nfs/dbraw/zinc/79/70/85/476797085.db2.gz RSACENOZQGUTAB-APHBMKBZSA-N 1 3 346.393 2.607 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390739341 476797971 /nfs/dbraw/zinc/79/79/71/476797971.db2.gz LAPSFIJUSWQYLL-ROUUACIJSA-N 1 3 331.504 2.791 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422846603 476807431 /nfs/dbraw/zinc/80/74/31/476807431.db2.gz QDMDJTKGNUGBAF-CEXWTWQISA-N 1 3 332.463 2.994 20 0 EFADHO Cc1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422846855 476807830 /nfs/dbraw/zinc/80/78/30/476807830.db2.gz QNFNGWRCWKASHC-CEXWTWQISA-N 1 3 327.472 2.766 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422855724 476811836 /nfs/dbraw/zinc/81/18/36/476811836.db2.gz VXZWJMWRUFXPTM-NXWXRZEISA-N 1 3 336.451 2.730 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422855725 476812060 /nfs/dbraw/zinc/81/20/60/476812060.db2.gz VXZWJMWRUFXPTM-OQIJWPOYSA-N 1 3 336.451 2.730 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422861878 476817740 /nfs/dbraw/zinc/81/77/40/476817740.db2.gz NCANFVRWQOJOFM-JXFKEZNVSA-N 1 3 337.467 2.862 20 0 EFADHO CN1CC=C(C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000392209495 476822019 /nfs/dbraw/zinc/82/20/19/476822019.db2.gz PPESTWMNUATEPJ-UHFFFAOYSA-N 1 3 325.497 2.874 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882514 476825228 /nfs/dbraw/zinc/82/52/28/476825228.db2.gz AVAABYLEJYREIP-RYGJVYDSSA-N 1 3 328.456 2.951 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCCOc1ccc2ccccc2c1 ZINC000422882514 476825238 /nfs/dbraw/zinc/82/52/38/476825238.db2.gz AVAABYLEJYREIP-RYGJVYDSSA-N 1 3 328.456 2.951 20 0 EFADHO COc1cc(OC)c(CC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c(OC)c1 ZINC000422885885 476827921 /nfs/dbraw/zinc/82/79/21/476827921.db2.gz HOTDYBJGSLULFN-MSOLQXFVSA-N 1 3 342.439 2.989 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000422894727 476832024 /nfs/dbraw/zinc/83/20/24/476832024.db2.gz DASMKERUIBDKJX-UHFFFAOYSA-N 1 3 331.504 2.732 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422899266 476835467 /nfs/dbraw/zinc/83/54/67/476835467.db2.gz OCFDAWWZYXXGKZ-SLFFLAALSA-N 1 3 331.504 2.637 20 0 EFADHO CN(C)CCOc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422899317 476836283 /nfs/dbraw/zinc/83/62/83/476836283.db2.gz OJJZAJSXWRKOHT-PMACEKPBSA-N 1 3 325.456 2.861 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccccn2)CC1 ZINC000422899642 476836466 /nfs/dbraw/zinc/83/64/66/476836466.db2.gz OUTUGPHQZIDEKP-PKOBYXMFSA-N 1 3 330.520 2.946 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902188 476838396 /nfs/dbraw/zinc/83/83/96/476838396.db2.gz TZHNTTMNLBHMBF-UWJYYQICSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000422902188 476838400 /nfs/dbraw/zinc/83/84/00/476838400.db2.gz TZHNTTMNLBHMBF-UWJYYQICSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906463 476838861 /nfs/dbraw/zinc/83/88/61/476838861.db2.gz JUBUYDUWZFINHS-SPYBWZPUSA-N 1 3 337.458 2.907 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905254 476839542 /nfs/dbraw/zinc/83/95/42/476839542.db2.gz YXZWEFPTEUEBMH-MELADBBJSA-N 1 3 340.309 2.991 20 0 EFADHO C[C@@H]1CN(CCSCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370500863 476840765 /nfs/dbraw/zinc/84/07/65/476840765.db2.gz SGHJIMKRPLWMCS-UYAOXDASSA-N 1 3 347.572 2.878 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422908540 476840847 /nfs/dbraw/zinc/84/08/47/476840847.db2.gz MWGHMFXVDYIOEC-APWZRJJASA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908591 476842007 /nfs/dbraw/zinc/84/20/07/476842007.db2.gz YUVUJOKXQXIRIH-DUVNUKRYSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908591 476842015 /nfs/dbraw/zinc/84/20/15/476842015.db2.gz YUVUJOKXQXIRIH-DUVNUKRYSA-N 1 3 346.393 2.552 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(OCCN(C)C)c1 ZINC000422913864 476842765 /nfs/dbraw/zinc/84/27/65/476842765.db2.gz QZTJMENVYYJPGE-OXJNMPFZSA-N 1 3 327.472 2.997 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000422917119 476845026 /nfs/dbraw/zinc/84/50/26/476845026.db2.gz CMXXTUPETKOYCL-AKHDSKFASA-N 1 3 332.488 2.899 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917646 476845599 /nfs/dbraw/zinc/84/55/99/476845599.db2.gz FJIHUPZOLVSDQG-VBSBHUPXSA-N 1 3 332.488 2.899 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000422923628 476847987 /nfs/dbraw/zinc/84/79/87/476847987.db2.gz SDCGQFFXNWHOJW-UXHICEINSA-N 1 3 330.520 2.896 20 0 EFADHO CCOC(=O)C1([C@@H](C)NC2(c3ccc(OC)cc3)CC2)CC[NH2+]CC1 ZINC000422937004 476853325 /nfs/dbraw/zinc/85/33/25/476853325.db2.gz NLSHMVWSNPLWAE-OAHLLOKOSA-N 1 3 346.471 2.595 20 0 EFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936198 476854612 /nfs/dbraw/zinc/85/46/12/476854612.db2.gz FDQLWFKWOYAUPZ-SFTDATJTSA-N 1 3 344.547 2.838 20 0 EFADHO C[C@@H](CCC[NH3+])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422938835 476855321 /nfs/dbraw/zinc/85/53/21/476855321.db2.gz QHSIYSPJCOVXRI-QMMMGPOBSA-N 1 3 335.761 2.619 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422938269 476855360 /nfs/dbraw/zinc/85/53/60/476855360.db2.gz DLWKCBQGAVKMJV-IUODEOHRSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938269 476855366 /nfs/dbraw/zinc/85/53/66/476855366.db2.gz DLWKCBQGAVKMJV-IUODEOHRSA-N 1 3 327.266 2.935 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422940478 476856099 /nfs/dbraw/zinc/85/60/99/476856099.db2.gz NIPXVINLRRJSOY-QRVBRYPASA-N 1 3 334.460 2.593 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414058328 476856975 /nfs/dbraw/zinc/85/69/75/476856975.db2.gz HBGGGKYAUMKJAT-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO COc1cc(OC)cc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422947808 476860933 /nfs/dbraw/zinc/86/09/33/476860933.db2.gz ZAWCAVDCJGEWRV-RBUKOAKNSA-N 1 3 328.412 2.817 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000398026558 476866156 /nfs/dbraw/zinc/86/61/56/476866156.db2.gz DWLGLZCLOGPLFM-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000398026558 476866165 /nfs/dbraw/zinc/86/61/65/476866165.db2.gz DWLGLZCLOGPLFM-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430584080 476869391 /nfs/dbraw/zinc/86/93/91/476869391.db2.gz NXTKBZMGDWTVRM-JSGCOSHPSA-N 1 3 334.851 2.992 20 0 EFADHO CN(C)[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422968427 476870800 /nfs/dbraw/zinc/87/08/00/476870800.db2.gz WVXBOVXKJTYJSR-SQGPQFPESA-N 1 3 341.455 2.728 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422969348 476871973 /nfs/dbraw/zinc/87/19/73/476871973.db2.gz UDYTVMFDSAFJNX-QUCCMNQESA-N 1 3 332.488 2.989 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430600509 476875916 /nfs/dbraw/zinc/87/59/16/476875916.db2.gz SBSOPLGFKUVROT-OLZOCXBDSA-N 1 3 339.867 2.736 20 0 EFADHO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1C ZINC000414205835 476876039 /nfs/dbraw/zinc/87/60/39/476876039.db2.gz XTLYCEYCAPBGGW-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422983129 476878034 /nfs/dbraw/zinc/87/80/34/476878034.db2.gz YOTAQECVDFQFCC-WTGUMLROSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128313 476880575 /nfs/dbraw/zinc/88/05/75/476880575.db2.gz LSNUYAVQSFEGDW-ZSNVMCELSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128313 476880579 /nfs/dbraw/zinc/88/05/79/476880579.db2.gz LSNUYAVQSFEGDW-ZSNVMCELSA-N 1 3 337.508 2.989 20 0 EFADHO COc1cc(NCC[NH2+][C@H]2C[C@H](N)c3ccccc32)cc(OC)c1 ZINC000423001015 476885657 /nfs/dbraw/zinc/88/56/57/476885657.db2.gz HIYDNOYKTNIHPW-OALUTQOASA-N 1 3 327.428 2.850 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2CCCc2ccccc2)C1 ZINC000414697833 476887250 /nfs/dbraw/zinc/88/72/50/476887250.db2.gz CGFNIRGLQCFRNV-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CCCc2ccccc2)C1 ZINC000414697833 476887256 /nfs/dbraw/zinc/88/72/56/476887256.db2.gz CGFNIRGLQCFRNV-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000446572316 476888127 /nfs/dbraw/zinc/88/81/27/476888127.db2.gz JUEIPYJGJAPBKN-UHFFFAOYSA-N 1 3 344.503 2.787 20 0 EFADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704384 476889070 /nfs/dbraw/zinc/88/90/70/476889070.db2.gz NDLTZVOWMYWGJJ-WFXMLNOXSA-N 1 3 343.515 2.965 20 0 EFADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704384 476889076 /nfs/dbraw/zinc/88/90/76/476889076.db2.gz NDLTZVOWMYWGJJ-WFXMLNOXSA-N 1 3 343.515 2.965 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010423 476889747 /nfs/dbraw/zinc/88/97/47/476889747.db2.gz GFWRJTMQJIKPRO-HOJAQTOUSA-N 1 3 343.515 2.936 20 0 EFADHO CC[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018174 476892346 /nfs/dbraw/zinc/89/23/46/476892346.db2.gz YFQJKJUEPQMLRI-QYZOEREBSA-N 1 3 329.488 2.545 20 0 EFADHO [NH3+][C@@H]1C[C@H](NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc21 ZINC000423018575 476893602 /nfs/dbraw/zinc/89/36/02/476893602.db2.gz ZHNKLBVPBZYPBS-AHRSYUTCSA-N 1 3 335.451 2.770 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414855100 476894225 /nfs/dbraw/zinc/89/42/25/476894225.db2.gz WDSNURPKQMESET-RISCZKNCSA-N 1 3 329.286 2.531 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423023522 476894586 /nfs/dbraw/zinc/89/45/86/476894586.db2.gz JVLDONVBLSSOQZ-DETPVDSQSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423023522 476894589 /nfs/dbraw/zinc/89/45/89/476894589.db2.gz JVLDONVBLSSOQZ-DETPVDSQSA-N 1 3 326.843 2.853 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423034173 476899052 /nfs/dbraw/zinc/89/90/52/476899052.db2.gz PNIRVVBDFKOGOB-SLFFLAALSA-N 1 3 344.499 2.864 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOCc1ccc(Cl)cc1Cl ZINC000423033055 476899325 /nfs/dbraw/zinc/89/93/25/476899325.db2.gz WLSCPGIVMCTCGZ-SGIREYDYSA-N 1 3 347.286 2.852 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423038934 476900636 /nfs/dbraw/zinc/90/06/36/476900636.db2.gz DORSPKROTUZION-ABAIWWIYSA-N 1 3 327.831 2.692 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890552 476905020 /nfs/dbraw/zinc/90/50/20/476905020.db2.gz SEJQIIGIQUCOBE-MOPGFXCFSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890552 476905028 /nfs/dbraw/zinc/90/50/28/476905028.db2.gz SEJQIIGIQUCOBE-MOPGFXCFSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890552 476905036 /nfs/dbraw/zinc/90/50/36/476905036.db2.gz SEJQIIGIQUCOBE-MOPGFXCFSA-N 1 3 345.487 2.717 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054605 476907915 /nfs/dbraw/zinc/90/79/15/476907915.db2.gz VBQYDDRQMRCFAF-OUCADQQQSA-N 1 3 343.393 2.522 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)N3CCCNCC3)c2)CC1 ZINC000415400349 476916114 /nfs/dbraw/zinc/91/61/14/476916114.db2.gz ZHIQYUMBDFZBKZ-UHFFFAOYSA-N 1 3 344.503 2.788 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423072562 476916984 /nfs/dbraw/zinc/91/69/84/476916984.db2.gz JPHXBJZUNVDRTF-TZMCWYRMSA-N 1 3 331.382 2.976 20 0 EFADHO O[C@@H]1CCC[C@@]1(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000423075309 476917014 /nfs/dbraw/zinc/91/70/14/476917014.db2.gz OFNIAEAFLXJHIT-MJIXASBWSA-N 1 3 332.463 2.772 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423076519 476918072 /nfs/dbraw/zinc/91/80/72/476918072.db2.gz RKTHMXGGVVLJLC-NZSAHSFTSA-N 1 3 333.545 2.582 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423079203 476918969 /nfs/dbraw/zinc/91/89/69/476918969.db2.gz XRQLUXAMJLSPRR-CJMONDIMSA-N 1 3 343.446 2.805 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423077296 476919282 /nfs/dbraw/zinc/91/92/82/476919282.db2.gz SVTXZHKJCOMCMP-GBESFXJTSA-N 1 3 333.545 2.711 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423077296 476919286 /nfs/dbraw/zinc/91/92/86/476919286.db2.gz SVTXZHKJCOMCMP-GBESFXJTSA-N 1 3 333.545 2.711 20 0 EFADHO C[C@H](NCCCCn1cc(Br)cn1)[C@@H]1CCCC[NH2+]1 ZINC000423080353 476920287 /nfs/dbraw/zinc/92/02/87/476920287.db2.gz ACGTXRQNCXKDON-JSGCOSHPSA-N 1 3 329.286 2.546 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@](C)(CO)Cc1ccccc1 ZINC000423083002 476920507 /nfs/dbraw/zinc/92/05/07/476920507.db2.gz XZRXYLQLCCOFDQ-WMQCIHAUSA-N 1 3 326.484 2.776 20 0 EFADHO COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3N)c2)n1 ZINC000423080155 476920617 /nfs/dbraw/zinc/92/06/17/476920617.db2.gz RVWLVCPKTCCGHO-UONOGXRCSA-N 1 3 331.441 2.566 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423083895 476922197 /nfs/dbraw/zinc/92/21/97/476922197.db2.gz ZKHNCFUAXBIJMX-OCCSQVGLSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423083895 476922202 /nfs/dbraw/zinc/92/22/02/476922202.db2.gz ZKHNCFUAXBIJMX-OCCSQVGLSA-N 1 3 331.382 2.847 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423083183 476922403 /nfs/dbraw/zinc/92/24/03/476922403.db2.gz FLZINJHKUIELHE-OCCSQVGLSA-N 1 3 329.286 2.533 20 0 EFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(F)c1 ZINC000446827136 476923667 /nfs/dbraw/zinc/92/36/67/476923667.db2.gz RQOKUQCLGQFFBZ-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1I ZINC000423092631 476925560 /nfs/dbraw/zinc/92/55/60/476925560.db2.gz CTGSGMAHTMFFKQ-OCCSQVGLSA-N 1 3 344.240 2.817 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000405235769 476924489 /nfs/dbraw/zinc/92/44/89/476924489.db2.gz YILYHQMTDVBDIB-GBESFXJTSA-N 1 3 329.488 2.532 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000446840039 476926061 /nfs/dbraw/zinc/92/60/61/476926061.db2.gz WPUFBNQNMHTFNF-QRQLOZEOSA-N 1 3 327.476 2.790 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000446840039 476926065 /nfs/dbraw/zinc/92/60/65/476926065.db2.gz WPUFBNQNMHTFNF-QRQLOZEOSA-N 1 3 327.476 2.790 20 0 EFADHO CN(c1ccccc1CN1CC([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000366253743 476926273 /nfs/dbraw/zinc/92/62/73/476926273.db2.gz WUISVCKHWQGNOU-SFHVURJKSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423107946 476931568 /nfs/dbraw/zinc/93/15/68/476931568.db2.gz QITUGMMDNOSUBJ-JXFKEZNVSA-N 1 3 331.504 2.780 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCN1Cc1ccccc1 ZINC000407425179 476932468 /nfs/dbraw/zinc/93/24/68/476932468.db2.gz JZDITUDQXZKTBY-XLNTUCKNSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCN1Cc1ccccc1 ZINC000407425175 476932483 /nfs/dbraw/zinc/93/24/83/476932483.db2.gz JZDITUDQXZKTBY-XCLNPWKQSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCN1Cc1ccccc1 ZINC000407425169 476932724 /nfs/dbraw/zinc/93/27/24/476932724.db2.gz JZDITUDQXZKTBY-HUYLIWGRSA-N 1 3 341.499 2.686 20 0 EFADHO CN(C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000407357739 476933403 /nfs/dbraw/zinc/93/34/03/476933403.db2.gz PBDUPWRDGDMZIX-VQTJNVASSA-N 1 3 341.499 2.640 20 0 EFADHO C[NH2+]CC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430925273 476937356 /nfs/dbraw/zinc/93/73/56/476937356.db2.gz CVEFHXKRDYDYJM-LJQANCHMSA-N 1 3 329.488 2.672 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423132345 476939042 /nfs/dbraw/zinc/93/90/42/476939042.db2.gz ULBYUAVEVAOIRM-JSGCOSHPSA-N 1 3 333.863 2.929 20 0 EFADHO C[C@H]([NH3+])C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000430933067 476941002 /nfs/dbraw/zinc/94/10/02/476941002.db2.gz JCFBBAOTQMMASP-INIZCTEOSA-N 1 3 329.488 2.872 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415581512 476942104 /nfs/dbraw/zinc/94/21/04/476942104.db2.gz SQSKKGHSVJUAPX-UHFFFAOYSA-N 1 3 340.471 2.784 20 0 EFADHO CCCOc1c(OC)cc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423148984 476946031 /nfs/dbraw/zinc/94/60/31/476946031.db2.gz HCGVMPVZNBXHNV-SJPCQFCGSA-N 1 3 348.487 2.908 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCOc1ccc(Cl)c(Cl)c1 ZINC000423152877 476946184 /nfs/dbraw/zinc/94/61/84/476946184.db2.gz FVXRPYJBLKJKAB-NVBFEUDRSA-N 1 3 333.259 2.714 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H](C)C[C@H](C)[NH3+] ZINC000423153279 476946276 /nfs/dbraw/zinc/94/62/76/476946276.db2.gz HIPHMBYTKORWAT-OBJOEFQTSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@H](C)N ZINC000423153279 476946280 /nfs/dbraw/zinc/94/62/80/476946280.db2.gz HIPHMBYTKORWAT-OBJOEFQTSA-N 1 3 343.309 2.624 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 ZINC000430951679 476947150 /nfs/dbraw/zinc/94/71/50/476947150.db2.gz WEINYVBASYBYPN-DZKIICNBSA-N 1 3 335.517 2.859 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430950938 476947517 /nfs/dbraw/zinc/94/75/17/476947517.db2.gz SVLUQNPQQCVCFX-QGZVFWFLSA-N 1 3 331.504 2.793 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H]2C[C@@H](C)Oc3ccccc32)CC[NH2+]CC1 ZINC000423162210 476948490 /nfs/dbraw/zinc/94/84/90/476948490.db2.gz TWNCZJNPSJJJMP-HLLBOEOZSA-N 1 3 346.471 2.810 20 0 EFADHO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1C ZINC000423165725 476949994 /nfs/dbraw/zinc/94/99/94/476949994.db2.gz QFARJJVEDWGSNJ-APWZRJJASA-N 1 3 327.472 2.720 20 0 EFADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423164919 476950481 /nfs/dbraw/zinc/95/04/81/476950481.db2.gz UAJDPHRXZPFOEO-CVYSASLGSA-N 1 3 330.472 2.688 20 0 EFADHO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1C ZINC000423165734 476950706 /nfs/dbraw/zinc/95/07/06/476950706.db2.gz QFARJJVEDWGSNJ-LPHOPBHVSA-N 1 3 327.472 2.720 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966809 476952015 /nfs/dbraw/zinc/95/20/15/476952015.db2.gz QBMDCPULKQRTNQ-IHRRRGAJSA-N 1 3 337.895 2.965 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423177746 476953126 /nfs/dbraw/zinc/95/31/26/476953126.db2.gz HTZHNESCBXOLET-IVAOSVALSA-N 1 3 345.531 2.773 20 0 EFADHO CN1CC[C@@H]([NH2+]CCCNCc2cccnc2)C[C@H]1c1ccccc1 ZINC000423185971 476957342 /nfs/dbraw/zinc/95/73/42/476957342.db2.gz KIKRPELBUDYYFM-RTWAWAEBSA-N 1 3 338.499 2.986 20 0 EFADHO CN1CC[C@H]([NH2+]CCCNCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000423185967 476957742 /nfs/dbraw/zinc/95/77/42/476957742.db2.gz KIKRPELBUDYYFM-LEWJYISDSA-N 1 3 338.499 2.986 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000431017296 476960462 /nfs/dbraw/zinc/96/04/62/476960462.db2.gz PHVFKPQAFHXPRW-HUUCEWRRSA-N 1 3 349.906 2.981 20 0 EFADHO Cc1nc(-c2cc([C@@H](C)NCCN3CC[NH2+]CC3)cs2)cs1 ZINC000423203445 476961859 /nfs/dbraw/zinc/96/18/59/476961859.db2.gz MSJFIENUXIWCOX-GFCCVEGCSA-N 1 3 336.530 2.736 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(N)CCCC3)cc2)C1 ZINC000431018975 476962054 /nfs/dbraw/zinc/96/20/54/476962054.db2.gz ZEIAPZOOAACASS-OAHLLOKOSA-N 1 3 331.460 2.617 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3(N)CCCC3)cc2)C1 ZINC000431018975 476962062 /nfs/dbraw/zinc/96/20/62/476962062.db2.gz ZEIAPZOOAACASS-OAHLLOKOSA-N 1 3 331.460 2.617 20 0 EFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423204108 476962600 /nfs/dbraw/zinc/96/26/00/476962600.db2.gz NOJPTVZOCROXNN-GOSISDBHSA-N 1 3 339.483 2.821 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000431029600 476963594 /nfs/dbraw/zinc/96/35/94/476963594.db2.gz FQVUVVOSXQXPLW-KRWDZBQOSA-N 1 3 329.488 2.556 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000415902871 476964617 /nfs/dbraw/zinc/96/46/17/476964617.db2.gz PNFUDZRPRGEUOB-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO O=C([C@@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1)N1CCCCC1 ZINC000431043970 476966174 /nfs/dbraw/zinc/96/61/74/476966174.db2.gz TZVKSTZUPRJLMZ-LJQANCHMSA-N 1 3 341.499 2.816 20 0 EFADHO C[C@H](CCc1ccc(I)cc1)NCC[C@H](C)[NH3+] ZINC000423225903 476969369 /nfs/dbraw/zinc/96/93/69/476969369.db2.gz OROCTVZTAPAJSY-NWDGAFQWSA-N 1 3 346.256 2.939 20 0 EFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]CC[C@H](C)N ZINC000423225903 476969362 /nfs/dbraw/zinc/96/93/62/476969362.db2.gz OROCTVZTAPAJSY-NWDGAFQWSA-N 1 3 346.256 2.939 20 0 EFADHO [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763823 476973728 /nfs/dbraw/zinc/97/37/28/476973728.db2.gz PQMLPNALPRBVOC-QKNQBKEWSA-N 1 3 341.499 2.629 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763076 476973952 /nfs/dbraw/zinc/97/39/52/476973952.db2.gz DOHSOFWDZPDGJM-IPMKNSEASA-N 1 3 329.488 2.532 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763074 476974411 /nfs/dbraw/zinc/97/44/11/476974411.db2.gz DOHSOFWDZPDGJM-GBESFXJTSA-N 1 3 329.488 2.532 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789486 476985948 /nfs/dbraw/zinc/98/59/48/476985948.db2.gz WKNVIKMFZJQTPV-UHFFFAOYSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC[C@@H](C)C[NH3+])c1ccc(F)c(I)c1 ZINC000423307872 476987850 /nfs/dbraw/zinc/98/78/50/476987850.db2.gz NVNRQHDBYZXAFY-DTWKUNHWSA-N 1 3 336.192 2.676 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000416007698 476989423 /nfs/dbraw/zinc/98/94/23/476989423.db2.gz LIYHCKNJMAFRLP-HNNXBMFYSA-N 1 3 328.460 2.630 20 0 EFADHO CC1(C)CCCN[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000423310543 476990110 /nfs/dbraw/zinc/99/01/10/476990110.db2.gz NTSKXIGRODBFJZ-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO [NH3+]CCCCN[C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000423318922 476992634 /nfs/dbraw/zinc/99/26/34/476992634.db2.gz FBKVWYQYBXYRMP-HNNXBMFYSA-N 1 3 335.249 2.657 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)CC1 ZINC000423333730 476998260 /nfs/dbraw/zinc/99/82/60/476998260.db2.gz OHOTUGMGEPBZJU-IBGZPJMESA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423349242 477002687 /nfs/dbraw/zinc/00/26/87/477002687.db2.gz WFBMLHPPPBAKCI-NSHDSACASA-N 1 3 342.224 2.862 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000423353924 477002949 /nfs/dbraw/zinc/00/29/49/477002949.db2.gz FHZRLWPPIUAHIA-QGZVFWFLSA-N 1 3 349.544 2.855 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423356231 477003130 /nfs/dbraw/zinc/00/31/30/477003130.db2.gz JQTBSIJEHUHXJC-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423356231 477003131 /nfs/dbraw/zinc/00/31/31/477003131.db2.gz JQTBSIJEHUHXJC-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000423365340 477006002 /nfs/dbraw/zinc/00/60/02/477006002.db2.gz WQJOQSOWOPQIDK-RDJZCZTQSA-N 1 3 349.544 2.855 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000423368640 477008231 /nfs/dbraw/zinc/00/82/31/477008231.db2.gz SDIFFPADRJQFGK-GOSISDBHSA-N 1 3 331.504 2.921 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2NCCCC2(C)C)c1 ZINC000423368640 477008237 /nfs/dbraw/zinc/00/82/37/477008237.db2.gz SDIFFPADRJQFGK-GOSISDBHSA-N 1 3 331.504 2.921 20 0 EFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423371745 477008587 /nfs/dbraw/zinc/00/85/87/477008587.db2.gz ATWUEDWOJRMCPL-CABCVRRESA-N 1 3 333.373 2.703 20 0 EFADHO CCc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423375956 477010002 /nfs/dbraw/zinc/01/00/02/477010002.db2.gz DLKLFYFHWFIQHU-BXUZGUMPSA-N 1 3 335.439 2.797 20 0 EFADHO CC(C)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423373994 477010887 /nfs/dbraw/zinc/01/08/87/477010887.db2.gz CBCHFBHUGZGGHZ-JKSUJKDBSA-N 1 3 329.410 2.809 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423380205 477012360 /nfs/dbraw/zinc/01/23/60/477012360.db2.gz HBNOGUNORMGAEN-SJORKVTESA-N 1 3 341.421 2.880 20 0 EFADHO CCC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423391964 477013679 /nfs/dbraw/zinc/01/36/79/477013679.db2.gz PYRRELOKLBHMID-HOTGVXAUSA-N 1 3 329.410 2.954 20 0 EFADHO CCC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423391965 477013818 /nfs/dbraw/zinc/01/38/18/477013818.db2.gz PYRRELOKLBHMID-HZPDHXFCSA-N 1 3 329.410 2.954 20 0 EFADHO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000431344180 477013958 /nfs/dbraw/zinc/01/39/58/477013958.db2.gz LDFRBXLZAAXKLL-MRXNPFEDSA-N 1 3 338.879 2.908 20 0 EFADHO Cc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000423388490 477014406 /nfs/dbraw/zinc/01/44/06/477014406.db2.gz MUGTZPKTBIGCDT-ZBFHGGJFSA-N 1 3 329.410 2.790 20 0 EFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1 ZINC000423387574 477014592 /nfs/dbraw/zinc/01/45/92/477014592.db2.gz MEVKPFVVCQENRN-HZPDHXFCSA-N 1 3 329.410 2.872 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423392557 477016323 /nfs/dbraw/zinc/01/63/23/477016323.db2.gz OKPAPIQVFZDVGJ-MNEFBYGVSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000423392557 477016330 /nfs/dbraw/zinc/01/63/30/477016330.db2.gz OKPAPIQVFZDVGJ-MNEFBYGVSA-N 1 3 329.488 2.625 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580729 477016992 /nfs/dbraw/zinc/01/69/92/477016992.db2.gz RDSRMPSZWDQMTL-OALUTQOASA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580729 477016998 /nfs/dbraw/zinc/01/69/98/477016998.db2.gz RDSRMPSZWDQMTL-OALUTQOASA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCCC(C)(C)C2)[C@@H](C)C1 ZINC000447580729 477017004 /nfs/dbraw/zinc/01/70/04/477017004.db2.gz RDSRMPSZWDQMTL-OALUTQOASA-N 1 3 339.568 2.835 20 0 EFADHO Cc1cc(C)cc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423401975 477018790 /nfs/dbraw/zinc/01/87/90/477018790.db2.gz XYNCWJKQZBHSRF-HOCLYGCPSA-N 1 3 329.410 2.790 20 0 EFADHO Fc1ccc2c(c1)CCC[C@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423401925 477018921 /nfs/dbraw/zinc/01/89/21/477018921.db2.gz XUTIMOSFKNEDRA-HZPDHXFCSA-N 1 3 345.384 2.629 20 0 EFADHO CSc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403209 477019342 /nfs/dbraw/zinc/01/93/42/477019342.db2.gz ZDDSOVAHPUZVJW-WFASDCNBSA-N 1 3 347.450 2.895 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000447594588 477020130 /nfs/dbraw/zinc/02/01/30/477020130.db2.gz ZYCDQRKKEVWPPQ-NEWSRXKRSA-N 1 3 345.531 2.690 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598480 477020230 /nfs/dbraw/zinc/02/02/30/477020230.db2.gz HPGBEYBFICHAOK-RLLQIKCJSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598480 477020234 /nfs/dbraw/zinc/02/02/34/477020234.db2.gz HPGBEYBFICHAOK-RLLQIKCJSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598480 477020237 /nfs/dbraw/zinc/02/02/37/477020237.db2.gz HPGBEYBFICHAOK-RLLQIKCJSA-N 1 3 337.552 2.730 20 0 EFADHO Cc1cccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000423404298 477020726 /nfs/dbraw/zinc/02/07/26/477020726.db2.gz ZVFOAFALVIGOHL-GOEBONIOSA-N 1 3 329.410 2.790 20 0 EFADHO COC[C@@H](NCC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423411194 477022471 /nfs/dbraw/zinc/02/24/71/477022471.db2.gz TVDMDJOIEXIFHG-MRXNPFEDSA-N 1 3 326.868 2.633 20 0 EFADHO COC[C@@H](NCC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000423409954 477023645 /nfs/dbraw/zinc/02/36/45/477023645.db2.gz RDPQNULJROJHOY-OAHLLOKOSA-N 1 3 344.858 2.772 20 0 EFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488408 477035588 /nfs/dbraw/zinc/03/55/88/477035588.db2.gz IUNLBMYWNGALHA-LPHOPBHVSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[C@@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488408 477035592 /nfs/dbraw/zinc/03/55/92/477035592.db2.gz IUNLBMYWNGALHA-LPHOPBHVSA-N 1 3 339.524 2.953 20 0 EFADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147248 477039012 /nfs/dbraw/zinc/03/90/12/477039012.db2.gz AQFYFKKQBQFSPK-IEBWSBKVSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147248 477039018 /nfs/dbraw/zinc/03/90/18/477039018.db2.gz AQFYFKKQBQFSPK-IEBWSBKVSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000423484187 477045291 /nfs/dbraw/zinc/04/52/91/477045291.db2.gz ZYPLBCIZFIREER-IHMNZUQTSA-N 1 3 331.479 2.734 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CNCCCO2)cc1F ZINC000423497734 477050184 /nfs/dbraw/zinc/05/01/84/477050184.db2.gz ZGDIYJQJGRPSRV-BQFCYCMXSA-N 1 3 336.451 2.829 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@@H]2NC[C@@H]2C[NH2+]CCCO2)cc1F ZINC000423497734 477050193 /nfs/dbraw/zinc/05/01/93/477050193.db2.gz ZGDIYJQJGRPSRV-BQFCYCMXSA-N 1 3 336.451 2.829 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000416176142 477056420 /nfs/dbraw/zinc/05/64/20/477056420.db2.gz FSJJYZAOGWITCF-UXHICEINSA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000416176143 477056774 /nfs/dbraw/zinc/05/67/74/477056774.db2.gz FSJJYZAOGWITCF-VQTJNVASSA-N 1 3 343.515 2.870 20 0 EFADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000423512056 477057428 /nfs/dbraw/zinc/05/74/28/477057428.db2.gz UKWKPROBZWTRGT-DNVCBOLYSA-N 1 3 336.443 2.793 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cccc(F)c2)cn1 ZINC000423541723 477068120 /nfs/dbraw/zinc/06/81/20/477068120.db2.gz LOGZKMLTKBQMBP-ILRDRHFLSA-N 1 3 328.435 2.626 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncc(Br)s1 ZINC000423541412 477069497 /nfs/dbraw/zinc/06/94/97/477069497.db2.gz KXMMQMWOPXSKKX-LNFKQOIKSA-N 1 3 330.295 2.944 20 0 EFADHO CC(CN1CCCC[C@H]1C[C@H](C)O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838390 477071949 /nfs/dbraw/zinc/07/19/49/477071949.db2.gz AHLBAQMRXLXVMK-MUGJNUQGSA-N 1 3 340.552 2.873 20 0 EFADHO CC(CN1CCCC[C@H]1C[C@H](C)O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838390 477071956 /nfs/dbraw/zinc/07/19/56/477071956.db2.gz AHLBAQMRXLXVMK-MUGJNUQGSA-N 1 3 340.552 2.873 20 0 EFADHO C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000416216357 477074002 /nfs/dbraw/zinc/07/40/02/477074002.db2.gz ARMFOFJCAAHMSS-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000416216352 477074426 /nfs/dbraw/zinc/07/44/26/477074426.db2.gz ARMFOFJCAAHMSS-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[C@H](c1ccccc1)N(C)C ZINC000416235563 477083868 /nfs/dbraw/zinc/08/38/68/477083868.db2.gz VAZLAIOZSRMDQO-NZSAHSFTSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN(C2CC2)C1 ZINC000416237801 477085011 /nfs/dbraw/zinc/08/50/11/477085011.db2.gz FXBZNWULOGMPQM-QFBILLFUSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CCN(C2CC2)C1 ZINC000416237802 477085829 /nfs/dbraw/zinc/08/58/29/477085829.db2.gz FXBZNWULOGMPQM-VQIMIIECSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)N1CCC(C)CC1 ZINC000431777608 477094209 /nfs/dbraw/zinc/09/42/09/477094209.db2.gz ZMQWRZFPNNZXPW-HKUYNNGSSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000431797158 477097532 /nfs/dbraw/zinc/09/75/32/477097532.db2.gz WFCJMUAWPLYGCL-IBGZPJMESA-N 1 3 329.488 2.766 20 0 EFADHO CCN1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000431802470 477098128 /nfs/dbraw/zinc/09/81/28/477098128.db2.gz XFPQIPITZGDWQV-BZSNNMDCSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH+](CC)CC)C1 ZINC000431802473 477098740 /nfs/dbraw/zinc/09/87/40/477098740.db2.gz XFPQIPITZGDWQV-OKZBNKHCSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000447951168 477100598 /nfs/dbraw/zinc/10/05/98/477100598.db2.gz DEUATIAVRDUNLP-QGZVFWFLSA-N 1 3 340.556 2.915 20 0 EFADHO C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423706726 477116786 /nfs/dbraw/zinc/11/67/86/477116786.db2.gz CAKOPVCULRPHMU-QFBILLFUSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423712770 477119925 /nfs/dbraw/zinc/11/99/25/477119925.db2.gz OURGYHBXDGXCKW-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000431927583 477121341 /nfs/dbraw/zinc/12/13/41/477121341.db2.gz VGSCIJRPXAZZMX-LJQANCHMSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721900 477123016 /nfs/dbraw/zinc/12/30/16/477123016.db2.gz CKSOQCGNKGZCAX-CLCXKQKWSA-N 1 3 327.472 2.767 20 0 EFADHO CN(C)C(=O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411128194 477123094 /nfs/dbraw/zinc/12/30/94/477123094.db2.gz CEOLLAUQLWELQS-UHFFFAOYSA-N 1 3 343.515 2.973 20 0 EFADHO CNC(=O)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411146041 477127750 /nfs/dbraw/zinc/12/77/50/477127750.db2.gz TUVKXWNKRXUXHF-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423741684 477128937 /nfs/dbraw/zinc/12/89/37/477128937.db2.gz HYXQUGXUUVWYLG-IAGOWNOFSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CCC1CC[NH2+]CC1 ZINC000423741024 477129376 /nfs/dbraw/zinc/12/93/76/477129376.db2.gz JKDFZBZMDJGLOR-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN(CCCc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000423744470 477130882 /nfs/dbraw/zinc/13/08/82/477130882.db2.gz LHUWTJCACFHIBD-UYAOXDASSA-N 1 3 345.531 2.773 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000457672435 477135407 /nfs/dbraw/zinc/13/54/07/477135407.db2.gz CCTBLMZERVBITI-OAHLLOKOSA-N 1 3 340.537 2.770 20 0 EFADHO [NH3+][C@@H]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000423762526 477136209 /nfs/dbraw/zinc/13/62/09/477136209.db2.gz SOVDLKSSFSJMGZ-FUHWJXTLSA-N 1 3 349.906 2.892 20 0 EFADHO CN(C)C[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000423780057 477141308 /nfs/dbraw/zinc/14/13/08/477141308.db2.gz WBICLPZUTCRIHB-SFHVURJKSA-N 1 3 343.858 2.976 20 0 EFADHO [NH3+]CC1(CC(=O)NCC2CCN(c3ccncc3)CC2)CCCCC1 ZINC000423783915 477142761 /nfs/dbraw/zinc/14/27/61/477142761.db2.gz LDDQPGRVDOSRIU-UHFFFAOYSA-N 1 3 344.503 2.714 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423782731 477143087 /nfs/dbraw/zinc/14/30/87/477143087.db2.gz JBIFWHQUKQLMTK-RTBURBONSA-N 1 3 344.503 2.712 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000423790807 477146715 /nfs/dbraw/zinc/14/67/15/477146715.db2.gz UNGHLBKACSJTCC-NRFANRHFSA-N 1 3 337.467 2.926 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423797879 477149146 /nfs/dbraw/zinc/14/91/46/477149146.db2.gz NOLCUMJJPMQLLE-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000457699088 477150066 /nfs/dbraw/zinc/15/00/66/477150066.db2.gz SCEGXLRRUUSSFH-MSOLQXFVSA-N 1 3 338.540 2.621 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000448257606 477150316 /nfs/dbraw/zinc/15/03/16/477150316.db2.gz RNWMDDHWLPFKRW-QGZVFWFLSA-N 1 3 338.540 2.718 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCCC[C@H]1C ZINC000457705109 477154183 /nfs/dbraw/zinc/15/41/83/477154183.db2.gz KSENGLBSJZOQBQ-HZPDHXFCSA-N 1 3 326.529 2.669 20 0 EFADHO COCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453092705 477166492 /nfs/dbraw/zinc/16/64/92/477166492.db2.gz NVTJTPVZANKCEQ-NJDAHSKKSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453092705 477166499 /nfs/dbraw/zinc/16/64/99/477166499.db2.gz NVTJTPVZANKCEQ-NJDAHSKKSA-N 1 3 345.531 2.597 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453092705 477166508 /nfs/dbraw/zinc/16/65/08/477166508.db2.gz NVTJTPVZANKCEQ-NJDAHSKKSA-N 1 3 345.531 2.597 20 0 EFADHO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453097692 477166665 /nfs/dbraw/zinc/16/66/65/477166665.db2.gz UYFWDOKNHRVKAI-JCHJZTRSSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](CC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000423855739 477187654 /nfs/dbraw/zinc/18/76/54/477187654.db2.gz YZQVLOSVNCTTKZ-SJORKVTESA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000423856244 477187981 /nfs/dbraw/zinc/18/79/81/477187981.db2.gz ZILUYPODQSIUPN-KXBFYZLASA-N 1 3 343.446 2.505 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423856862 477188250 /nfs/dbraw/zinc/18/82/50/477188250.db2.gz ZZBSUUXURZOPQM-NZSAHSFTSA-N 1 3 331.504 2.921 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453201502 477190990 /nfs/dbraw/zinc/19/09/90/477190990.db2.gz SCRRJFCKBMJYIU-NJYVYQBISA-N 1 3 338.499 2.995 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453201502 477190993 /nfs/dbraw/zinc/19/09/93/477190993.db2.gz SCRRJFCKBMJYIU-NJYVYQBISA-N 1 3 338.499 2.995 20 0 EFADHO N[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000423893037 477203586 /nfs/dbraw/zinc/20/35/86/477203586.db2.gz COZSFWJDRQLTQP-QRQLOZEOSA-N 1 3 327.472 2.552 20 0 EFADHO N[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000423893037 477203596 /nfs/dbraw/zinc/20/35/96/477203596.db2.gz COZSFWJDRQLTQP-QRQLOZEOSA-N 1 3 327.472 2.552 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000411380100 477211262 /nfs/dbraw/zinc/21/12/62/477211262.db2.gz GKHCTWQIOZESOJ-SFHVURJKSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000411380100 477211264 /nfs/dbraw/zinc/21/12/64/477211264.db2.gz GKHCTWQIOZESOJ-SFHVURJKSA-N 1 3 341.499 2.887 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423908541 477211421 /nfs/dbraw/zinc/21/14/21/477211421.db2.gz SKLRWEUJNDBWJK-JQERWDHBSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423908541 477211429 /nfs/dbraw/zinc/21/14/29/477211429.db2.gz SKLRWEUJNDBWJK-JQERWDHBSA-N 1 3 341.499 2.798 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423910130 477214391 /nfs/dbraw/zinc/21/43/91/477214391.db2.gz UUCMJDVANCOPRO-FFGOWVMKSA-N 1 3 343.515 2.873 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423910130 477214399 /nfs/dbraw/zinc/21/43/99/477214399.db2.gz UUCMJDVANCOPRO-FFGOWVMKSA-N 1 3 343.515 2.873 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453371533 477215731 /nfs/dbraw/zinc/21/57/31/477215731.db2.gz NOCZNHPZIBMZAK-KANFNMMFSA-N 1 3 329.488 2.544 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453371533 477215736 /nfs/dbraw/zinc/21/57/36/477215736.db2.gz NOCZNHPZIBMZAK-KANFNMMFSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000423915184 477215676 /nfs/dbraw/zinc/21/56/76/477215676.db2.gz YFRUNDBMJZCALL-BPQIPLTHSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000423915184 477215683 /nfs/dbraw/zinc/21/56/83/477215683.db2.gz YFRUNDBMJZCALL-BPQIPLTHSA-N 1 3 331.504 2.777 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCOCCc1ccccc1 ZINC000371294823 477223391 /nfs/dbraw/zinc/22/33/91/477223391.db2.gz NGCLAPVYZRHFNQ-NJDAHSKKSA-N 1 3 346.515 2.819 20 0 EFADHO CN(CCOc1cccc(Cl)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000411411793 477224637 /nfs/dbraw/zinc/22/46/37/477224637.db2.gz VWFKFGQAOUNVGF-UHFFFAOYSA-N 1 3 339.911 2.677 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000453412719 477224852 /nfs/dbraw/zinc/22/48/52/477224852.db2.gz WIKRKYBXQZYHIP-SESVDKBCSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453412719 477224866 /nfs/dbraw/zinc/22/48/66/477224866.db2.gz WIKRKYBXQZYHIP-SESVDKBCSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453412719 477224877 /nfs/dbraw/zinc/22/48/77/477224877.db2.gz WIKRKYBXQZYHIP-SESVDKBCSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cn1 ZINC000453412714 477225083 /nfs/dbraw/zinc/22/50/83/477225083.db2.gz WIKRKYBXQZYHIP-HLAWJBBLSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000453412714 477225089 /nfs/dbraw/zinc/22/50/89/477225089.db2.gz WIKRKYBXQZYHIP-HLAWJBBLSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000453412714 477225095 /nfs/dbraw/zinc/22/50/95/477225095.db2.gz WIKRKYBXQZYHIP-HLAWJBBLSA-N 1 3 336.483 2.828 20 0 EFADHO [NH3+]C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000423935835 477225319 /nfs/dbraw/zinc/22/53/19/477225319.db2.gz AXTIXIDUEADYPD-MJGOQNOKSA-N 1 3 347.478 2.671 20 0 EFADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366890707 477242903 /nfs/dbraw/zinc/24/29/03/477242903.db2.gz ZMOMCRHVGRSSDR-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1C[NH3+] ZINC000424003424 477255886 /nfs/dbraw/zinc/25/58/86/477255886.db2.gz RDQOPFPYVCLZCU-ZIAGYGMSSA-N 1 3 329.444 2.551 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376274348 477262934 /nfs/dbraw/zinc/26/29/34/477262934.db2.gz LDZQZANAUMFEEK-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N1CCCCC1 ZINC000424023081 477263982 /nfs/dbraw/zinc/26/39/82/477263982.db2.gz AHKUCUIVMKNQAQ-UHOSZYNNSA-N 1 3 347.478 2.589 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424029765 477264864 /nfs/dbraw/zinc/26/48/64/477264864.db2.gz DOMFNACTYBZNTD-QYZOEREBSA-N 1 3 347.478 2.767 20 0 EFADHO CCS[C@@H]1CCCC[C@@H]1NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411561010 477276237 /nfs/dbraw/zinc/27/62/37/477276237.db2.gz QGKKKAWWLCZXLF-DLBZAZTESA-N 1 3 341.565 2.629 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416788216 477310404 /nfs/dbraw/zinc/31/04/04/477310404.db2.gz PYOUNNDYXJZPRS-RTBURBONSA-N 1 3 344.503 2.655 20 0 EFADHO [NH3+]C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000416789455 477310872 /nfs/dbraw/zinc/31/08/72/477310872.db2.gz SFYAIRGDLKDUIJ-RBUKOAKNSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454652134 477312424 /nfs/dbraw/zinc/31/24/24/477312424.db2.gz VXRZFSYJTKGCGZ-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000424160786 477313727 /nfs/dbraw/zinc/31/37/27/477313727.db2.gz UUNBCOZBCJUUIV-QLFBSQMISA-N 1 3 343.393 2.552 20 0 EFADHO CC[C@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](CC)CC ZINC000433359585 477321866 /nfs/dbraw/zinc/32/18/66/477321866.db2.gz BGLPPNZXNCRIBJ-OTWHNJEPSA-N 1 3 346.519 2.653 20 0 EFADHO C[C@H](CN1CCOCC1)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411678590 477324864 /nfs/dbraw/zinc/32/48/64/477324864.db2.gz BPEPXYACQWFOFB-LJQANCHMSA-N 1 3 345.531 2.825 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416831282 477326838 /nfs/dbraw/zinc/32/68/38/477326838.db2.gz ASXLKVPEDAICML-QXAKKESOSA-N 1 3 346.519 2.757 20 0 EFADHO COC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411683549 477327289 /nfs/dbraw/zinc/32/72/89/477327289.db2.gz ZMLYTEWCOCZXGC-UXHICEINSA-N 1 3 332.488 2.956 20 0 EFADHO CC1CCN([C@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416831122 477327390 /nfs/dbraw/zinc/32/73/90/477327390.db2.gz HKDZFLLUSQIHCP-CQSZACIVSA-N 1 3 338.521 2.558 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416834954 477329156 /nfs/dbraw/zinc/32/91/56/477329156.db2.gz FAIZRSGJHPQEQS-CEXWTWQISA-N 1 3 344.503 2.605 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)N(C)C)cc1 ZINC000416838436 477330941 /nfs/dbraw/zinc/33/09/41/477330941.db2.gz JFNQFQOYTYVSKF-PKOBYXMFSA-N 1 3 346.519 2.622 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000416839493 477330951 /nfs/dbraw/zinc/33/09/51/477330951.db2.gz KBQATQQYVYWGQX-BHIYHBOVSA-N 1 3 346.519 2.886 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000416837300 477331307 /nfs/dbraw/zinc/33/13/07/477331307.db2.gz WXFBPSXIMBWKSB-SFHVURJKSA-N 1 3 346.519 2.813 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217443 477333396 /nfs/dbraw/zinc/33/33/96/477333396.db2.gz LMRHLHXSJSLSND-FUMNGEBKSA-N 1 3 341.499 2.627 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)N(C)C)cc1 ZINC000416844023 477333910 /nfs/dbraw/zinc/33/39/10/477333910.db2.gz PJDKBDPCDGXKDY-WDSOQIARSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000416845181 477333952 /nfs/dbraw/zinc/33/39/52/477333952.db2.gz RFIKLJGFNPHQMX-BEFAXECRSA-N 1 3 346.519 2.621 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000416846136 477335406 /nfs/dbraw/zinc/33/54/06/477335406.db2.gz TUCKBPQWPDLXFM-PKOBYXMFSA-N 1 3 346.519 2.711 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416849219 477336784 /nfs/dbraw/zinc/33/67/84/477336784.db2.gz XLDOMWIAMUNUTD-MOPGFXCFSA-N 1 3 348.535 2.867 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000416849229 477336806 /nfs/dbraw/zinc/33/68/06/477336806.db2.gz XOCVFADWONPHEH-IBGZPJMESA-N 1 3 344.503 2.679 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000458301897 477342625 /nfs/dbraw/zinc/34/26/25/477342625.db2.gz WLVNTNZKSLTCKE-UHFFFAOYSA-N 1 3 349.450 2.579 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCCN(C)Cc1ccccc1 ZINC000416878354 477350827 /nfs/dbraw/zinc/35/08/27/477350827.db2.gz VRTJWXUALWKGGO-GOSISDBHSA-N 1 3 334.508 2.523 20 0 EFADHO C[C@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1C ZINC000416884858 477352790 /nfs/dbraw/zinc/35/27/90/477352790.db2.gz DOOZVUHVMSYHSJ-IAGOWNOFSA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285574 477355709 /nfs/dbraw/zinc/35/57/09/477355709.db2.gz FXCVTHVWQBRAGO-PXNSSMCTSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]1CC2(CN1Cc1ccc(Cl)cc1-n1cncn1)CC[NH2+]CC2 ZINC000424295837 477359906 /nfs/dbraw/zinc/35/99/06/477359906.db2.gz RIINIHFVSPCABM-AWEZNQCLSA-N 1 3 345.878 2.885 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424294356 477360059 /nfs/dbraw/zinc/36/00/59/477360059.db2.gz QATRQFDBIHCBLS-SJORKVTESA-N 1 3 343.515 2.890 20 0 EFADHO CCN(Cc1cccc(F)c1)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424296749 477360357 /nfs/dbraw/zinc/36/03/57/477360357.db2.gz SHIVQUYABYPCCT-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1 ZINC000416898794 477360872 /nfs/dbraw/zinc/36/08/72/477360872.db2.gz ZIWQLBPEYDVXAG-UHFFFAOYSA-N 1 3 332.492 2.599 20 0 EFADHO CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2N)cc1 ZINC000424298576 477362232 /nfs/dbraw/zinc/36/22/32/477362232.db2.gz DNJJDCACIHJWTR-QRVBRYPASA-N 1 3 345.487 2.608 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000424317100 477369654 /nfs/dbraw/zinc/36/96/54/477369654.db2.gz NWRYOJRMDKAFMB-ZRNYENFQSA-N 1 3 340.471 2.675 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000424317100 477369655 /nfs/dbraw/zinc/36/96/55/477369655.db2.gz NWRYOJRMDKAFMB-ZRNYENFQSA-N 1 3 340.471 2.675 20 0 EFADHO COc1ccccc1-n1nccc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368898 477380910 /nfs/dbraw/zinc/38/09/10/477380910.db2.gz ARNZKWHGMKKVBP-MRXNPFEDSA-N 1 3 340.471 2.845 20 0 EFADHO COc1cc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000424371251 477381155 /nfs/dbraw/zinc/38/11/55/477381155.db2.gz DGJRUGUTSZMJLA-CQSZACIVSA-N 1 3 334.460 2.676 20 0 EFADHO CC[N@H+](CCCNC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000435876769 477385891 /nfs/dbraw/zinc/38/58/91/477385891.db2.gz KKRDCVMSXLEFBI-UHFFFAOYSA-N 1 3 333.524 2.809 20 0 EFADHO CC[N@@H+](CCCNC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000435876769 477385897 /nfs/dbraw/zinc/38/58/97/477385897.db2.gz KKRDCVMSXLEFBI-UHFFFAOYSA-N 1 3 333.524 2.809 20 0 EFADHO CCN(CCC[NH2+]C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000435876769 477385905 /nfs/dbraw/zinc/38/59/05/477385905.db2.gz KKRDCVMSXLEFBI-UHFFFAOYSA-N 1 3 333.524 2.809 20 0 EFADHO C[NH+]1CCC(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411836583 477386847 /nfs/dbraw/zinc/38/68/47/477386847.db2.gz WIDCUNKXWOBRNE-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000458422840 477408743 /nfs/dbraw/zinc/40/87/43/477408743.db2.gz IYFHSPKDIBWYLB-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCc1ccc2ccccc2c1 ZINC000436064496 477413363 /nfs/dbraw/zinc/41/33/63/477413363.db2.gz ZPLZYFBUQTYGMC-FQEVSTJZSA-N 1 3 339.483 2.702 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424453118 477413370 /nfs/dbraw/zinc/41/33/70/477413370.db2.gz JSZKFYOHPTXUMR-KZNAEPCWSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000424458945 477414894 /nfs/dbraw/zinc/41/48/94/477414894.db2.gz DLQSHDWHOCFRRS-JCHJZTRSSA-N 1 3 344.503 2.609 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccsc1 ZINC000417004055 477418638 /nfs/dbraw/zinc/41/86/38/477418638.db2.gz HQBGSXGOGDPQAE-GPANFISMSA-N 1 3 338.521 2.700 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccsc1 ZINC000417007127 477419658 /nfs/dbraw/zinc/41/96/58/477419658.db2.gz KQSUWCJYIJPVGB-RDJZCZTQSA-N 1 3 338.521 2.511 20 0 EFADHO CC(C)[N@H+](C)CCCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070589 477420500 /nfs/dbraw/zinc/42/05/00/477420500.db2.gz DJHWGXQCUQOWPP-HNNXBMFYSA-N 1 3 326.506 2.514 20 0 EFADHO CC(C)[N@@H+](C)CCCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070589 477420503 /nfs/dbraw/zinc/42/05/03/477420503.db2.gz DJHWGXQCUQOWPP-HNNXBMFYSA-N 1 3 326.506 2.514 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070589 477420505 /nfs/dbraw/zinc/42/05/05/477420505.db2.gz DJHWGXQCUQOWPP-HNNXBMFYSA-N 1 3 326.506 2.514 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417010956 477420675 /nfs/dbraw/zinc/42/06/75/477420675.db2.gz QULODGCJDVEEQH-VNQPRFMTSA-N 1 3 338.521 2.558 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccsc1 ZINC000417012558 477422854 /nfs/dbraw/zinc/42/28/54/477422854.db2.gz XEPJIAANTDFGNK-IIAWOOMASA-N 1 3 338.521 2.510 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CSC[C@@H]3C)cc2)CC1 ZINC000449080915 477427431 /nfs/dbraw/zinc/42/74/31/477427431.db2.gz AGSSVAXVEQXOGW-LPHOPBHVSA-N 1 3 333.545 2.665 20 0 EFADHO CCN1CCN(CCCC[NH2+]C2CCC(CSC)CC2)CC1 ZINC000449080373 477428306 /nfs/dbraw/zinc/42/83/06/477428306.db2.gz VQAADCLWRVBPAE-UHFFFAOYSA-N 1 3 327.582 2.916 20 0 EFADHO CC[C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000417026361 477429611 /nfs/dbraw/zinc/42/96/11/477429611.db2.gz ZATQTGXUPNYBKL-VQIMIIECSA-N 1 3 346.519 2.640 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000367293771 477435888 /nfs/dbraw/zinc/43/58/88/477435888.db2.gz FBQWDPLRHRBZJI-CEXWTWQISA-N 1 3 347.503 2.707 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417043657 477439052 /nfs/dbraw/zinc/43/90/52/477439052.db2.gz XJEFBEAGIDWJEP-RTBURBONSA-N 1 3 346.519 2.838 20 0 EFADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417046540 477439346 /nfs/dbraw/zinc/43/93/46/477439346.db2.gz ZKINAKZQECRZHY-MJGOQNOKSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000449117376 477446224 /nfs/dbraw/zinc/44/62/24/477446224.db2.gz OIFAQLCZGWZQOI-GPMSIDNRSA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449119481 477447019 /nfs/dbraw/zinc/44/70/19/477447019.db2.gz ZMWFDIJPTBQENM-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCN(C2CC2)C1 ZINC000458492078 477448314 /nfs/dbraw/zinc/44/83/14/477448314.db2.gz FPJFHVWWTZEQHQ-MRXNPFEDSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436250114 477449436 /nfs/dbraw/zinc/44/94/36/477449436.db2.gz BLBKBWVCADJKGH-UHFFFAOYSA-N 1 3 336.785 2.905 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C2)C1 ZINC000458497784 477452584 /nfs/dbraw/zinc/45/25/84/477452584.db2.gz JJOZFEZTNCYOIO-FQEVSTJZSA-N 1 3 348.535 2.521 20 0 EFADHO COc1ccc(-n2cc(CNCCC3CC[NH+](C)CC3)cn2)cc1 ZINC000449132307 477453409 /nfs/dbraw/zinc/45/34/09/477453409.db2.gz UCKPPCMGMVHLEU-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](O)[C@@H]2CCOC2)CC1 ZINC000449155333 477462347 /nfs/dbraw/zinc/46/23/47/477462347.db2.gz BEGZUDCWENASPS-WBVHZDCISA-N 1 3 326.525 2.653 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000418338136 477470237 /nfs/dbraw/zinc/47/02/37/477470237.db2.gz YWOLMQHHGJVWLI-ATZDWAIDSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000418338136 477470246 /nfs/dbraw/zinc/47/02/46/477470246.db2.gz YWOLMQHHGJVWLI-ATZDWAIDSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000418346860 477470616 /nfs/dbraw/zinc/47/06/16/477470616.db2.gz IBZAQAQSURNCJV-ZTFGCOKTSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458560582 477481334 /nfs/dbraw/zinc/48/13/34/477481334.db2.gz CANNMGZNLHRXNF-ROUUACIJSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458560582 477481342 /nfs/dbraw/zinc/48/13/42/477481342.db2.gz CANNMGZNLHRXNF-ROUUACIJSA-N 1 3 338.540 2.621 20 0 EFADHO CCN1CCN(CCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449217883 477492217 /nfs/dbraw/zinc/49/22/17/477492217.db2.gz CNKHZMLYFRFLAP-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO CC[NH+](CC)CCCNC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449221841 477494942 /nfs/dbraw/zinc/49/49/42/477494942.db2.gz UOCRVQCEAXTMGP-HNNXBMFYSA-N 1 3 326.506 2.515 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449221841 477494946 /nfs/dbraw/zinc/49/49/46/477494946.db2.gz UOCRVQCEAXTMGP-HNNXBMFYSA-N 1 3 326.506 2.515 20 0 EFADHO COc1cc(F)cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000449230498 477497213 /nfs/dbraw/zinc/49/72/13/477497213.db2.gz ALYJCENDKIFPFL-LJQANCHMSA-N 1 3 344.430 2.691 20 0 EFADHO COc1cc(F)cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449230498 477497219 /nfs/dbraw/zinc/49/72/19/477497219.db2.gz ALYJCENDKIFPFL-LJQANCHMSA-N 1 3 344.430 2.691 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000419362208 477498857 /nfs/dbraw/zinc/49/88/57/477498857.db2.gz BKRZVHPGXJNBOK-GOSISDBHSA-N 1 3 325.566 2.620 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000419362208 477498867 /nfs/dbraw/zinc/49/88/67/477498867.db2.gz BKRZVHPGXJNBOK-GOSISDBHSA-N 1 3 325.566 2.620 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000455123460 477507359 /nfs/dbraw/zinc/50/73/59/477507359.db2.gz ZVXDNLGRHCXLSU-SFHVURJKSA-N 1 3 336.524 2.522 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000458615884 477509474 /nfs/dbraw/zinc/50/94/74/477509474.db2.gz IYIWALQQWLMYFD-IEBWSBKVSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000458615884 477509482 /nfs/dbraw/zinc/50/94/82/477509482.db2.gz IYIWALQQWLMYFD-IEBWSBKVSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376823476 477519239 /nfs/dbraw/zinc/51/92/39/477519239.db2.gz QCKSRTAVQXMXGM-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO COc1cc2nccc(N[C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000413182433 477558140 /nfs/dbraw/zinc/55/81/40/477558140.db2.gz GNJJDHHUVKTCCA-QWHCGFSZSA-N 1 3 327.428 2.711 20 0 EFADHO COc1cc2nccc(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000413182433 477558144 /nfs/dbraw/zinc/55/81/44/477558144.db2.gz GNJJDHHUVKTCCA-QWHCGFSZSA-N 1 3 327.428 2.711 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458840298 477622161 /nfs/dbraw/zinc/62/21/61/477622161.db2.gz DQFIIRAKEBBDGP-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CN1CC[NH+](CC2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000367687536 477637509 /nfs/dbraw/zinc/63/75/09/477637509.db2.gz NQKMHBAZSUFSFP-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO C[C@H]1CN(CCc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000450637873 477663907 /nfs/dbraw/zinc/66/39/07/477663907.db2.gz BFLPIHZKWSZHQP-QFBILLFUSA-N 1 3 335.923 2.840 20 0 EFADHO COc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420295432 477670036 /nfs/dbraw/zinc/67/00/36/477670036.db2.gz AIGFZIRKIDSUTM-ACRUOGEOSA-N 1 3 340.467 2.763 20 0 EFADHO COc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420295432 477670045 /nfs/dbraw/zinc/67/00/45/477670045.db2.gz AIGFZIRKIDSUTM-ACRUOGEOSA-N 1 3 340.467 2.763 20 0 EFADHO C[C@@H]1CN(CCc2ccc(Cl)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000450652932 477671357 /nfs/dbraw/zinc/67/13/57/477671357.db2.gz NYKMZFRIYPKFJK-MRXNPFEDSA-N 1 3 335.923 2.983 20 0 EFADHO C[C@@H]1CN(CCc2ccc(Cl)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000450652932 477671363 /nfs/dbraw/zinc/67/13/63/477671363.db2.gz NYKMZFRIYPKFJK-MRXNPFEDSA-N 1 3 335.923 2.983 20 0 EFADHO FC(F)(F)c1cccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420308508 477680595 /nfs/dbraw/zinc/68/05/95/477680595.db2.gz SHXOJQMPZKLMNE-OAHLLOKOSA-N 1 3 341.421 2.823 20 0 EFADHO COC(=O)c1cc2cc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2o1 ZINC000420310817 477682015 /nfs/dbraw/zinc/68/20/15/477682015.db2.gz QEYMUIKFTCTRTN-NUEKZKHPSA-N 1 3 328.412 2.779 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCNC[C@@H]2c2cccc(F)c2)cc1 ZINC000420315560 477686436 /nfs/dbraw/zinc/68/64/36/477686436.db2.gz RZAHNRQKIKCTKR-FXAWDEMLSA-N 1 3 343.446 2.523 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000420315264 477686522 /nfs/dbraw/zinc/68/65/22/477686522.db2.gz LKZPBRGNAZMOQU-SFTDATJTSA-N 1 3 340.467 2.503 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000420315264 477686529 /nfs/dbraw/zinc/68/65/29/477686529.db2.gz LKZPBRGNAZMOQU-SFTDATJTSA-N 1 3 340.467 2.503 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(CCC(C)(C)C)CC2)cc1 ZINC000420324891 477693836 /nfs/dbraw/zinc/69/38/36/477693836.db2.gz VRNBCCONJCLFNJ-SFHVURJKSA-N 1 3 333.520 2.791 20 0 EFADHO CCCOc1ccc(OCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420326340 477696491 /nfs/dbraw/zinc/69/64/91/477696491.db2.gz JUGABDQXQDBJPO-QGZVFWFLSA-N 1 3 348.487 2.542 20 0 EFADHO Cc1cc(C)c(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420330304 477700728 /nfs/dbraw/zinc/70/07/28/477700728.db2.gz HSJLSSOFTNDQBY-OKZBNKHCSA-N 1 3 329.488 2.870 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329767 477701233 /nfs/dbraw/zinc/70/12/33/477701233.db2.gz HIOQSMSIGWMSQN-OTWHNJEPSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420335406 477705406 /nfs/dbraw/zinc/70/54/06/477705406.db2.gz HHUHCZBEUKBQQT-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336634 477705889 /nfs/dbraw/zinc/70/58/89/477705889.db2.gz IYPTUQQNRALIAO-VJANTYMQSA-N 1 3 343.515 2.882 20 0 EFADHO CSc1ccc(OCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420336923 477706351 /nfs/dbraw/zinc/70/63/51/477706351.db2.gz QOMRSCZGYXYMQU-MSOLQXFVSA-N 1 3 336.501 2.616 20 0 EFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338993 477707286 /nfs/dbraw/zinc/70/72/86/477707286.db2.gz LGASBRXDMUOPEM-RBSFLKMASA-N 1 3 335.879 2.989 20 0 EFADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340681 477710942 /nfs/dbraw/zinc/71/09/42/477710942.db2.gz NFKVMDSBIBWBOW-HRCADAONSA-N 1 3 333.451 2.783 20 0 EFADHO Brc1ccccc1OCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344536 477711011 /nfs/dbraw/zinc/71/10/11/477711011.db2.gz TUTJNHPDNGPFCA-OKILXGFUSA-N 1 3 339.277 2.759 20 0 EFADHO CC(C)(C)c1cccc(OCCCN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346148 477714016 /nfs/dbraw/zinc/71/40/16/477714016.db2.gz CFUJIPORIOAYND-IBGZPJMESA-N 1 3 345.531 2.733 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345090 477714195 /nfs/dbraw/zinc/71/41/95/477714195.db2.gz VEULEVVTROQTEU-JTDSTZFVSA-N 1 3 345.462 2.561 20 0 EFADHO [NH3+]CCOCCN1CCC(c2cccc(Br)c2)CC1 ZINC000420364536 477723558 /nfs/dbraw/zinc/72/35/58/477723558.db2.gz CYHDIXRVYRIBDW-UHFFFAOYSA-N 1 3 327.266 2.604 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1 ZINC000420368946 477726679 /nfs/dbraw/zinc/72/66/79/477726679.db2.gz XCBGBOCJOCNHOA-HNNXBMFYSA-N 1 3 330.476 2.890 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373693 477731952 /nfs/dbraw/zinc/73/19/52/477731952.db2.gz MXBMFTDDCJXYGF-FUHWJXTLSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373693 477731961 /nfs/dbraw/zinc/73/19/61/477731961.db2.gz MXBMFTDDCJXYGF-FUHWJXTLSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373693 477731968 /nfs/dbraw/zinc/73/19/68/477731968.db2.gz MXBMFTDDCJXYGF-FUHWJXTLSA-N 1 3 328.460 2.915 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3cccc(Cl)c3)CC2)C1 ZINC000420382682 477737279 /nfs/dbraw/zinc/73/72/79/477737279.db2.gz DYXOLKXOBRXYNY-FUHWJXTLSA-N 1 3 338.879 2.937 20 0 EFADHO C[C@@]1(CNC(=O)C23CCCN2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000377319352 477737537 /nfs/dbraw/zinc/73/75/37/477737537.db2.gz CXCRGZKPGIKMAR-FQEVSTJZSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@]1(CNC(=O)C23CCCN2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000377319352 477737543 /nfs/dbraw/zinc/73/75/43/477737543.db2.gz CXCRGZKPGIKMAR-FQEVSTJZSA-N 1 3 341.499 2.643 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccccc3Cl)CC2)C1 ZINC000420394857 477746308 /nfs/dbraw/zinc/74/63/08/477746308.db2.gz SCJUCIULIQCKPO-YJBOKZPZSA-N 1 3 338.879 2.937 20 0 EFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCc1ccccc1Cl ZINC000420397683 477747647 /nfs/dbraw/zinc/74/76/47/477747647.db2.gz MURLXECPKSXJEI-AEFFLSMTSA-N 1 3 349.906 2.810 20 0 EFADHO [NH3+]CC1(O)CCN(CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000420406879 477752286 /nfs/dbraw/zinc/75/22/86/477752286.db2.gz SNWYIFIXJWUADH-UHFFFAOYSA-N 1 3 346.393 2.650 20 0 EFADHO [NH3+]CC1(O)CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000420405239 477752932 /nfs/dbraw/zinc/75/29/32/477752932.db2.gz OPNKMIJZAYEOGV-UHFFFAOYSA-N 1 3 340.467 2.578 20 0 EFADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000420422824 477757460 /nfs/dbraw/zinc/75/74/60/477757460.db2.gz ZTSZHKGJEQEOQR-CHWSQXEVSA-N 1 3 343.393 2.951 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455871687 477771313 /nfs/dbraw/zinc/77/13/13/477771313.db2.gz YHQBOFOUCTZJFI-RDTXWAMCSA-N 1 3 330.476 2.793 20 0 EFADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000427883010 477783355 /nfs/dbraw/zinc/78/33/55/477783355.db2.gz BCKLKCYBOYEDBM-MUGJNUQGSA-N 1 3 336.483 2.698 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H](N4CC=CC4)C3)ccc21 ZINC000455936475 477787704 /nfs/dbraw/zinc/78/77/04/477787704.db2.gz RYNLBXZBYBBARQ-PKOBYXMFSA-N 1 3 340.471 2.714 20 0 EFADHO CCN1CCC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942146 477788046 /nfs/dbraw/zinc/78/80/46/477788046.db2.gz UPBGELKBBHIQAA-WMZOPIPTSA-N 1 3 330.476 2.841 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000438078949 477793016 /nfs/dbraw/zinc/79/30/16/477793016.db2.gz VCESYWYEJFCYKI-NRFANRHFSA-N 1 3 345.531 2.601 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CCCC23CCN(C)CC3)CC1 ZINC000372433120 477796724 /nfs/dbraw/zinc/79/67/24/477796724.db2.gz ATQDAGHLPAZUCK-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO c1cc(C[N@H+]2CCC[C@@H]2CN2CCCC2)ccc1CN1CCOCC1 ZINC000420901909 477807302 /nfs/dbraw/zinc/80/73/02/477807302.db2.gz LLNOXPIWRNEWRZ-OAQYLSRUSA-N 1 3 343.515 2.579 20 0 EFADHO c1cc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)ccc1CN1CCOCC1 ZINC000420901909 477807307 /nfs/dbraw/zinc/80/73/07/477807307.db2.gz LLNOXPIWRNEWRZ-OAQYLSRUSA-N 1 3 343.515 2.579 20 0 EFADHO CC(C)[NH+]1CCC(N(C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420904646 477808451 /nfs/dbraw/zinc/80/84/51/477808451.db2.gz PTARTIZJQBFJHB-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)N1CCC([N@H+](C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420904646 477808453 /nfs/dbraw/zinc/80/84/53/477808453.db2.gz PTARTIZJQBFJHB-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)N1CCC([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420904646 477808460 /nfs/dbraw/zinc/80/84/60/477808460.db2.gz PTARTIZJQBFJHB-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000368464464 477809714 /nfs/dbraw/zinc/80/97/14/477809714.db2.gz FFNMMWLABLZHTQ-WMZOPIPTSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910068 477810400 /nfs/dbraw/zinc/81/04/00/477810400.db2.gz DJBLVNGWYWROTA-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910068 477810407 /nfs/dbraw/zinc/81/04/07/477810407.db2.gz DJBLVNGWYWROTA-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910068 477810414 /nfs/dbraw/zinc/81/04/14/477810414.db2.gz DJBLVNGWYWROTA-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@@H]1C ZINC000420910068 477810419 /nfs/dbraw/zinc/81/04/19/477810419.db2.gz DJBLVNGWYWROTA-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)cc3F)CC2)CC1 ZINC000515417131 477821320 /nfs/dbraw/zinc/82/13/20/477821320.db2.gz GHFGHGKXDGGCBB-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000438303484 477821265 /nfs/dbraw/zinc/82/12/65/477821265.db2.gz SHIBOYQJBJJQLK-CVEARBPZSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCCN(C)C)c1 ZINC000438303484 477821272 /nfs/dbraw/zinc/82/12/72/477821272.db2.gz SHIBOYQJBJJQLK-CVEARBPZSA-N 1 3 348.491 2.540 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928630 477826694 /nfs/dbraw/zinc/82/66/94/477826694.db2.gz BXDZYAXBJYEIGB-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928630 477826703 /nfs/dbraw/zinc/82/67/03/477826703.db2.gz BXDZYAXBJYEIGB-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928630 477826711 /nfs/dbraw/zinc/82/67/11/477826711.db2.gz BXDZYAXBJYEIGB-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928630 477826717 /nfs/dbraw/zinc/82/67/17/477826717.db2.gz BXDZYAXBJYEIGB-WIYYLYMNSA-N 1 3 345.531 2.681 20 0 EFADHO Cn1cncc1CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459349437 477858732 /nfs/dbraw/zinc/85/87/32/477858732.db2.gz DVBXQCQLBKJYHX-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459349437 477858742 /nfs/dbraw/zinc/85/87/42/477858742.db2.gz DVBXQCQLBKJYHX-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000459349437 477858749 /nfs/dbraw/zinc/85/87/49/477858749.db2.gz DVBXQCQLBKJYHX-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000459349437 477858756 /nfs/dbraw/zinc/85/87/56/477858756.db2.gz DVBXQCQLBKJYHX-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NCCN(CC)C1CC1 ZINC000460348017 477859068 /nfs/dbraw/zinc/85/90/68/477859068.db2.gz KULHUTHCHDHWFT-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(COC)cc3)CC2)CC1 ZINC000420980867 477874657 /nfs/dbraw/zinc/87/46/57/477874657.db2.gz METAXUJIUVXHPR-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(COC)cc3)CC2)CC1 ZINC000420980867 477874664 /nfs/dbraw/zinc/87/46/64/477874664.db2.gz METAXUJIUVXHPR-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(F)ccc3OC)CC2)CC1 ZINC000420982453 477876159 /nfs/dbraw/zinc/87/61/59/477876159.db2.gz OTGSDSDFDROJCZ-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000461441341 477877114 /nfs/dbraw/zinc/87/71/14/477877114.db2.gz DTUTUAYFXIBPES-UFYCRDLUSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000461441341 477877122 /nfs/dbraw/zinc/87/71/22/477877122.db2.gz DTUTUAYFXIBPES-UFYCRDLUSA-N 1 3 343.515 2.553 20 0 EFADHO c1ccc2c(c1)CCN(CC[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000459393810 477884811 /nfs/dbraw/zinc/88/48/11/477884811.db2.gz SOCMNZDTDUQJDE-UHFFFAOYSA-N 1 3 336.483 2.698 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@H]2SC)[C@@H](C)C1 ZINC000459406419 477890589 /nfs/dbraw/zinc/89/05/89/477890589.db2.gz DCPOPYIJJIHYDT-IECFSIQFSA-N 1 3 344.565 2.622 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@H]2SC)[C@@H](C)C1 ZINC000459406419 477890596 /nfs/dbraw/zinc/89/05/96/477890596.db2.gz DCPOPYIJJIHYDT-IECFSIQFSA-N 1 3 344.565 2.622 20 0 EFADHO CC(C)n1cc2c(n1)C[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)CC2 ZINC000459429229 477904063 /nfs/dbraw/zinc/90/40/63/477904063.db2.gz HNXGTDPPTUAROY-SFHVURJKSA-N 1 3 339.487 2.975 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459461962 477917455 /nfs/dbraw/zinc/91/74/55/477917455.db2.gz KOWRJXVICPSDRG-QGZVFWFLSA-N 1 3 331.504 2.876 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000532485054 477935262 /nfs/dbraw/zinc/93/52/62/477935262.db2.gz KZHVCJKVUDTHHZ-OALUTQOASA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000532485054 477935267 /nfs/dbraw/zinc/93/52/67/477935267.db2.gz KZHVCJKVUDTHHZ-OALUTQOASA-N 1 3 329.488 2.705 20 0 EFADHO Cn1nc(CC[NH2+]C2CCN(c3ccncc3)CC2)c2ccccc21 ZINC000459537045 477959990 /nfs/dbraw/zinc/95/99/90/477959990.db2.gz RGTLZXOQLMMRSE-UHFFFAOYSA-N 1 3 335.455 2.769 20 0 EFADHO CN1CC[NH+](CC2CCN(CCc3cccc(Cl)c3)CC2)CC1 ZINC000459554525 477970222 /nfs/dbraw/zinc/97/02/22/477970222.db2.gz DEHJFRFUACJMPG-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CC(C)c1nnc(CC[NH2+]C2CCN(c3ccncc3)CC2)s1 ZINC000459554291 477970399 /nfs/dbraw/zinc/97/03/99/477970399.db2.gz DIEJHNGRRSXXFB-UHFFFAOYSA-N 1 3 331.489 2.858 20 0 EFADHO CN1CCN(CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)CC1 ZINC000459561137 477974791 /nfs/dbraw/zinc/97/47/91/477974791.db2.gz OLZFLHZORAVFHB-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000516749433 477980667 /nfs/dbraw/zinc/98/06/67/477980667.db2.gz NEHZFEKMOUVKRY-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465778026 477988772 /nfs/dbraw/zinc/98/87/72/477988772.db2.gz XBRHRAMPPAERBY-SJORKVTESA-N 1 3 326.529 2.623 20 0 EFADHO CCC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465778026 477988764 /nfs/dbraw/zinc/98/87/64/477988764.db2.gz XBRHRAMPPAERBY-SJORKVTESA-N 1 3 326.529 2.623 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000516803595 477989687 /nfs/dbraw/zinc/98/96/87/477989687.db2.gz DWABMSSCVPXSMC-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000516803595 477989691 /nfs/dbraw/zinc/98/96/91/477989691.db2.gz DWABMSSCVPXSMC-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000465860286 477991427 /nfs/dbraw/zinc/99/14/27/477991427.db2.gz CQZWKPJCNMOZIL-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000465860286 477991434 /nfs/dbraw/zinc/99/14/34/477991434.db2.gz CQZWKPJCNMOZIL-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000465858858 477991511 /nfs/dbraw/zinc/99/15/11/477991511.db2.gz KEHZVKHBXGARHN-SJORKVTESA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000465858858 477991516 /nfs/dbraw/zinc/99/15/16/477991516.db2.gz KEHZVKHBXGARHN-SJORKVTESA-N 1 3 340.556 2.869 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000516824255 477992004 /nfs/dbraw/zinc/99/20/04/477992004.db2.gz BATXWORSCUNVGE-LNLFQRSKSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000516824255 477992010 /nfs/dbraw/zinc/99/20/10/477992010.db2.gz BATXWORSCUNVGE-LNLFQRSKSA-N 1 3 346.519 2.677 20 0 EFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000465858852 477992630 /nfs/dbraw/zinc/99/26/30/477992630.db2.gz KEHZVKHBXGARHN-DLBZAZTESA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000465858852 477992635 /nfs/dbraw/zinc/99/26/35/477992635.db2.gz KEHZVKHBXGARHN-DLBZAZTESA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000494496888 477997730 /nfs/dbraw/zinc/99/77/30/477997730.db2.gz QOCOJQZRUFFVKE-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000494496888 477997737 /nfs/dbraw/zinc/99/77/37/477997737.db2.gz QOCOJQZRUFFVKE-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466036035 478001168 /nfs/dbraw/zinc/00/11/68/478001168.db2.gz DGVMXZZLLQGLAY-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000466036035 478001173 /nfs/dbraw/zinc/00/11/73/478001173.db2.gz DGVMXZZLLQGLAY-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)OC)CC1 ZINC000494522736 478001525 /nfs/dbraw/zinc/00/15/25/478001525.db2.gz LGQZKPZKFLHXDC-DOTOQJQBSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1ccc(C[C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1C ZINC000459598679 478002814 /nfs/dbraw/zinc/00/28/14/478002814.db2.gz PXRVTAONTWXLSU-FQEVSTJZSA-N 1 3 339.483 2.860 20 0 EFADHO COc1cc([C@@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)ccn1 ZINC000559895396 478005469 /nfs/dbraw/zinc/00/54/69/478005469.db2.gz UXHGDAUYGOWRJL-MRXNPFEDSA-N 1 3 343.471 2.924 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000428948428 478012668 /nfs/dbraw/zinc/01/26/68/478012668.db2.gz STAKQAHIZLRUFJ-YJBOKZPZSA-N 1 3 329.488 2.789 20 0 EFADHO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCc3ccccc3OC2)CC1 ZINC000494590095 478019015 /nfs/dbraw/zinc/01/90/15/478019015.db2.gz CQYVJKWQBVHPNQ-HSALFYBXSA-N 1 3 344.499 2.738 20 0 EFADHO CN(C)CCOc1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)ccn1 ZINC000494598543 478021464 /nfs/dbraw/zinc/02/14/64/478021464.db2.gz YEZLWUISQRFKPM-GOSISDBHSA-N 1 3 341.455 2.505 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1)CN1CCCC1 ZINC000516965509 478024826 /nfs/dbraw/zinc/02/48/26/478024826.db2.gz YPTUMKCWRAGGAL-YLJYHZDGSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@](O)(CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964922 478025099 /nfs/dbraw/zinc/02/50/99/478025099.db2.gz CXSKXNNOQZOLNB-JSGCOSHPSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@](O)(CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964922 478025106 /nfs/dbraw/zinc/02/51/06/478025106.db2.gz CXSKXNNOQZOLNB-JSGCOSHPSA-N 1 3 336.423 2.863 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439777176 478027403 /nfs/dbraw/zinc/02/74/03/478027403.db2.gz ZSTYAAAWPZNWNM-WGSAOQKQSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000439777176 478027412 /nfs/dbraw/zinc/02/74/12/478027412.db2.gz ZSTYAAAWPZNWNM-WGSAOQKQSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494659697 478038338 /nfs/dbraw/zinc/03/83/38/478038338.db2.gz QVLHDZVAPFUHHP-ARFHVFGLSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361005 478054190 /nfs/dbraw/zinc/05/41/90/478054190.db2.gz KARPOEAAYIWQGK-QZTJIDSGSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361005 478054195 /nfs/dbraw/zinc/05/41/95/478054195.db2.gz KARPOEAAYIWQGK-QZTJIDSGSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCN1C ZINC000429087615 478054475 /nfs/dbraw/zinc/05/44/75/478054475.db2.gz KTBXKEIADOPSIH-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCN1C ZINC000429087612 478055375 /nfs/dbraw/zinc/05/53/75/478055375.db2.gz KTBXKEIADOPSIH-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000517171213 478058353 /nfs/dbraw/zinc/05/83/53/478058353.db2.gz BIDOYJBBSJDJIJ-SJORKVTESA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C(=O)c1ccc(CN(CC)C2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000429098528 478058498 /nfs/dbraw/zinc/05/84/98/478058498.db2.gz KTKCJOSROVQLMN-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C)[C@H]3C)CC2)CC1 ZINC000517171210 478058832 /nfs/dbraw/zinc/05/88/32/478058832.db2.gz BIDOYJBBSJDJIJ-DLBZAZTESA-N 1 3 335.536 2.830 20 0 EFADHO CCn1nc(C)c(CN2CCCN(C3CC[NH+](CC)CC3)CC2)c1C ZINC000421373073 478061497 /nfs/dbraw/zinc/06/14/97/478061497.db2.gz MIMQWCBGXQWDDL-UHFFFAOYSA-N 1 3 347.551 2.512 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000440167124 478083124 /nfs/dbraw/zinc/08/31/24/478083124.db2.gz IALLUQKQWCFKIF-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000440167124 478083130 /nfs/dbraw/zinc/08/31/30/478083130.db2.gz IALLUQKQWCFKIF-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000440179477 478087468 /nfs/dbraw/zinc/08/74/68/478087468.db2.gz OSWCPVZMEFRELM-KZNAEPCWSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000440179477 478087474 /nfs/dbraw/zinc/08/74/74/478087474.db2.gz OSWCPVZMEFRELM-KZNAEPCWSA-N 1 3 338.540 2.621 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000459792567 478094863 /nfs/dbraw/zinc/09/48/63/478094863.db2.gz SLSWHAQWXVMYDJ-QGZVFWFLSA-N 1 3 327.476 2.706 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000459792567 478094869 /nfs/dbraw/zinc/09/48/69/478094869.db2.gz SLSWHAQWXVMYDJ-QGZVFWFLSA-N 1 3 327.476 2.706 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000440235637 478095862 /nfs/dbraw/zinc/09/58/62/478095862.db2.gz DTSDDYXGYZOXRR-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000440235637 478095866 /nfs/dbraw/zinc/09/58/66/478095866.db2.gz DTSDDYXGYZOXRR-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429289639 478100407 /nfs/dbraw/zinc/10/04/07/478100407.db2.gz CIWKWBLNCWUXEY-HKUYNNGSSA-N 1 3 329.488 2.918 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c(-n2cc(Cl)cn2)n1 ZINC000517553789 478102064 /nfs/dbraw/zinc/10/20/64/478102064.db2.gz WQZYZYDRKOMUER-HOTGVXAUSA-N 1 3 333.867 2.979 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c(-n2cc(Cl)cn2)n1 ZINC000517553790 478102082 /nfs/dbraw/zinc/10/20/82/478102082.db2.gz WQZYZYDRKOMUER-HZPDHXFCSA-N 1 3 333.867 2.979 20 0 EFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1NC(C)=O ZINC000560527329 478105249 /nfs/dbraw/zinc/10/52/49/478105249.db2.gz FJXIUUORYJUYEO-NUJGCVRESA-N 1 3 331.460 2.616 20 0 EFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000488425192 478147612 /nfs/dbraw/zinc/14/76/12/478147612.db2.gz TUUNJHWGODYVKJ-XSLAGTTESA-N 1 3 326.550 2.874 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000518169410 478148124 /nfs/dbraw/zinc/14/81/24/478148124.db2.gz WFEPJKFYXCCEDZ-VQIMIIECSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000518169410 478148130 /nfs/dbraw/zinc/14/81/30/478148130.db2.gz WFEPJKFYXCCEDZ-VQIMIIECSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000518169410 478148137 /nfs/dbraw/zinc/14/81/37/478148137.db2.gz WFEPJKFYXCCEDZ-VQIMIIECSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000488443587 478149474 /nfs/dbraw/zinc/14/94/74/478149474.db2.gz OVJKXPZODYHQIZ-QZTJIDSGSA-N 1 3 349.544 2.598 20 0 EFADHO COCCN(C)CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000518514033 478173765 /nfs/dbraw/zinc/17/37/65/478173765.db2.gz JCFFLIYBPCKRIV-HOJAQTOUSA-N 1 3 333.520 2.674 20 0 EFADHO C[C@@H]1C[C@H]([N@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687459 478173831 /nfs/dbraw/zinc/17/38/31/478173831.db2.gz XDSPJZCSWYONDG-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687459 478173836 /nfs/dbraw/zinc/17/38/36/478173836.db2.gz XDSPJZCSWYONDG-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCN2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000429687459 478173841 /nfs/dbraw/zinc/17/38/41/478173841.db2.gz XDSPJZCSWYONDG-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@H](N(C)CCN2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000429687459 478173845 /nfs/dbraw/zinc/17/38/45/478173845.db2.gz XDSPJZCSWYONDG-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997588 478185116 /nfs/dbraw/zinc/18/51/16/478185116.db2.gz GCLALZHVLNCQLN-IKGGRYGDSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997588 478185123 /nfs/dbraw/zinc/18/51/23/478185123.db2.gz GCLALZHVLNCQLN-IKGGRYGDSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429199 478195527 /nfs/dbraw/zinc/19/55/27/478195527.db2.gz GKBVDCBRHASRQV-HNNXBMFYSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429199 478195530 /nfs/dbraw/zinc/19/55/30/478195530.db2.gz GKBVDCBRHASRQV-HNNXBMFYSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429199 478195540 /nfs/dbraw/zinc/19/55/40/478195540.db2.gz GKBVDCBRHASRQV-HNNXBMFYSA-N 1 3 327.513 3.000 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000495433977 478196393 /nfs/dbraw/zinc/19/63/93/478196393.db2.gz LEFNJZBTYHHIAF-LSDHHAIUSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000495433977 478196397 /nfs/dbraw/zinc/19/63/97/478196397.db2.gz LEFNJZBTYHHIAF-LSDHHAIUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000561626050 478196483 /nfs/dbraw/zinc/19/64/83/478196483.db2.gz PIPUQTKTDGQNQB-RBUKOAKNSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000561626050 478196487 /nfs/dbraw/zinc/19/64/87/478196487.db2.gz PIPUQTKTDGQNQB-RBUKOAKNSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488908779 478199042 /nfs/dbraw/zinc/19/90/42/478199042.db2.gz KWMPTZGUFSLIHS-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488908779 478199049 /nfs/dbraw/zinc/19/90/49/478199049.db2.gz KWMPTZGUFSLIHS-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)CC(C)C ZINC000441187093 478202224 /nfs/dbraw/zinc/20/22/24/478202224.db2.gz FNZALVLTXHWKPL-JZXOWHBKSA-N 1 3 338.540 2.667 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976772 478210310 /nfs/dbraw/zinc/21/03/10/478210310.db2.gz RSZUKCHGRUWPEH-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976772 478210315 /nfs/dbraw/zinc/21/03/15/478210315.db2.gz RSZUKCHGRUWPEH-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)c1 ZINC000561976772 478210320 /nfs/dbraw/zinc/21/03/20/478210320.db2.gz RSZUKCHGRUWPEH-CVEARBPZSA-N 1 3 333.476 2.732 20 0 EFADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCCC1 ZINC000519115315 478210443 /nfs/dbraw/zinc/21/04/43/478210443.db2.gz YTOXQAJGSNQMHO-OAHLLOKOSA-N 1 3 346.475 2.555 20 0 EFADHO CC1(C)C[C@H](O)CCN(C/C=C\C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808352 478210816 /nfs/dbraw/zinc/21/08/16/478210816.db2.gz JIYMJHKMJSTUAU-OSFIAYCASA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@H](O)CCN(C/C=C\C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808352 478210820 /nfs/dbraw/zinc/21/08/20/478210820.db2.gz JIYMJHKMJSTUAU-OSFIAYCASA-N 1 3 338.536 2.508 20 0 EFADHO [NH3+]CCC[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000519528987 478229964 /nfs/dbraw/zinc/22/99/64/478229964.db2.gz OVRLGRVRBHAPGQ-GOSISDBHSA-N 1 3 339.418 2.976 20 0 EFADHO CN(c1ccccc1C[NH+]1CCC(CCO)CC1)C1CCN(C)CC1 ZINC000535782079 478231025 /nfs/dbraw/zinc/23/10/25/478231025.db2.gz ZHJSVJZNHTWCQJ-UHFFFAOYSA-N 1 3 345.531 2.811 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652988 478257112 /nfs/dbraw/zinc/25/71/12/478257112.db2.gz AKIFKQKBLCMRCG-YJBOKZPZSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652988 478257116 /nfs/dbraw/zinc/25/71/16/478257116.db2.gz AKIFKQKBLCMRCG-YJBOKZPZSA-N 1 3 325.497 2.707 20 0 EFADHO COc1ccc([C@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1NC(C)=O ZINC000579342331 478273650 /nfs/dbraw/zinc/27/36/50/478273650.db2.gz GMPKGLPAWXXERQ-AFAVFJNCSA-N 1 3 331.460 2.692 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000579348578 478275373 /nfs/dbraw/zinc/27/53/73/478275373.db2.gz UBNBUACEOPWKLM-GUDVDZBRSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000579349895 478275900 /nfs/dbraw/zinc/27/59/00/478275900.db2.gz ZCZHEEGEBDJSRY-LAUBAEHRSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000579349895 478275908 /nfs/dbraw/zinc/27/59/08/478275908.db2.gz ZCZHEEGEBDJSRY-LAUBAEHRSA-N 1 3 341.499 2.642 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCCN1CCN(C)CC1 ZINC000570066174 478277890 /nfs/dbraw/zinc/27/78/90/478277890.db2.gz UIWQLDWBAMQKSK-KNTRCKAVSA-N 1 3 345.531 2.854 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426207 478301785 /nfs/dbraw/zinc/30/17/85/478301785.db2.gz NDXBKRBALGOYOX-LAUBAEHRSA-N 1 3 342.531 2.971 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426207 478301793 /nfs/dbraw/zinc/30/17/93/478301793.db2.gz NDXBKRBALGOYOX-LAUBAEHRSA-N 1 3 342.531 2.971 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000570273732 478324176 /nfs/dbraw/zinc/32/41/76/478324176.db2.gz RRWMXBWZGVAIHH-LJQANCHMSA-N 1 3 346.515 2.940 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCC1 ZINC000579581885 478331233 /nfs/dbraw/zinc/33/12/33/478331233.db2.gz UXQJJUNLXZLWOA-QZTJIDSGSA-N 1 3 344.503 2.610 20 0 EFADHO CN(C)Cc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000579590067 478334467 /nfs/dbraw/zinc/33/44/67/478334467.db2.gz FWCAMIOPORSANG-UHFFFAOYSA-N 1 3 325.456 2.739 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1 ZINC000570383224 478348011 /nfs/dbraw/zinc/34/80/11/478348011.db2.gz HVNIKMNKXXYIQJ-JKSUJKDBSA-N 1 3 344.503 2.722 20 0 EFADHO COC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000570381468 478348096 /nfs/dbraw/zinc/34/80/96/478348096.db2.gz UFTKQGDAQUNILC-GOSISDBHSA-N 1 3 339.911 2.645 20 0 EFADHO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389194 478349126 /nfs/dbraw/zinc/34/91/26/478349126.db2.gz VYWPUBWNZLIPNK-MOPGFXCFSA-N 1 3 340.471 2.775 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389194 478349132 /nfs/dbraw/zinc/34/91/32/478349132.db2.gz VYWPUBWNZLIPNK-MOPGFXCFSA-N 1 3 340.471 2.775 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000590818955 478354302 /nfs/dbraw/zinc/35/43/02/478354302.db2.gz LUIQENYVGFHHTR-KRWDZBQOSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000590818955 478354308 /nfs/dbraw/zinc/35/43/08/478354308.db2.gz LUIQENYVGFHHTR-KRWDZBQOSA-N 1 3 338.467 2.618 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000562811322 478357510 /nfs/dbraw/zinc/35/75/10/478357510.db2.gz YQFJPOPETLZJHX-UZLBHIALSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000562811319 478357864 /nfs/dbraw/zinc/35/78/64/478357864.db2.gz YQFJPOPETLZJHX-JXFKEZNVSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1C ZINC000570443993 478360630 /nfs/dbraw/zinc/36/06/30/478360630.db2.gz HVBHBIGOIFPSFT-KXBFYZLASA-N 1 3 334.504 2.673 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)c2cccs2)CC1 ZINC000521071495 478368705 /nfs/dbraw/zinc/36/87/05/478368705.db2.gz PRYOIHVBNCMTTK-HZPDHXFCSA-N 1 3 335.517 2.589 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)c2cccs2)CC1 ZINC000521071495 478368708 /nfs/dbraw/zinc/36/87/08/478368708.db2.gz PRYOIHVBNCMTTK-HZPDHXFCSA-N 1 3 335.517 2.589 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490697420 478371409 /nfs/dbraw/zinc/37/14/09/478371409.db2.gz XTTHCNHSSSDUCD-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490697420 478371418 /nfs/dbraw/zinc/37/14/18/478371418.db2.gz XTTHCNHSSSDUCD-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCCCC1 ZINC000570500115 478372832 /nfs/dbraw/zinc/37/28/32/478372832.db2.gz LTVCGMJTOGCTSV-GOSISDBHSA-N 1 3 344.503 2.784 20 0 EFADHO C[C@H]1CC[N@H+](CCNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000581535548 478381875 /nfs/dbraw/zinc/38/18/75/478381875.db2.gz RMEJUWIRBYLOHQ-KRWDZBQOSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000581535548 478381879 /nfs/dbraw/zinc/38/18/79/478381879.db2.gz RMEJUWIRBYLOHQ-KRWDZBQOSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1CCCCCC1 ZINC000570535984 478384358 /nfs/dbraw/zinc/38/43/58/478384358.db2.gz DPNPCFHQXGORIS-GOSISDBHSA-N 1 3 346.519 2.626 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495887948 478388818 /nfs/dbraw/zinc/38/88/18/478388818.db2.gz VFLANVBCYRTTKL-OAGGEKHMSA-N 1 3 325.497 2.549 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495887948 478388821 /nfs/dbraw/zinc/38/88/21/478388821.db2.gz VFLANVBCYRTTKL-OAGGEKHMSA-N 1 3 325.497 2.549 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891056 478390005 /nfs/dbraw/zinc/39/00/05/478390005.db2.gz JTKAKIVADYTBRI-JKSUJKDBSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891056 478390009 /nfs/dbraw/zinc/39/00/09/478390009.db2.gz JTKAKIVADYTBRI-JKSUJKDBSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891056 478390013 /nfs/dbraw/zinc/39/00/13/478390013.db2.gz JTKAKIVADYTBRI-JKSUJKDBSA-N 1 3 327.513 2.857 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891053 478390037 /nfs/dbraw/zinc/39/00/37/478390037.db2.gz JTKAKIVADYTBRI-CVEARBPZSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891053 478390040 /nfs/dbraw/zinc/39/00/40/478390040.db2.gz JTKAKIVADYTBRI-CVEARBPZSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891053 478390043 /nfs/dbraw/zinc/39/00/43/478390043.db2.gz JTKAKIVADYTBRI-CVEARBPZSA-N 1 3 327.513 2.857 20 0 EFADHO CN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000495914702 478405044 /nfs/dbraw/zinc/40/50/44/478405044.db2.gz UVTFSTYWDVIPBY-MHSFOPAHSA-N 1 3 349.519 2.800 20 0 EFADHO CN(C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000495914702 478405054 /nfs/dbraw/zinc/40/50/54/478405054.db2.gz UVTFSTYWDVIPBY-MHSFOPAHSA-N 1 3 349.519 2.800 20 0 EFADHO Cn1c2cccc(F)c2nc1CCNC1CC[NH+](CC2CC2)CC1 ZINC000539259138 478409156 /nfs/dbraw/zinc/40/91/56/478409156.db2.gz NZQUMBNPFCSPHS-UHFFFAOYSA-N 1 3 330.451 2.719 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000581654967 478412465 /nfs/dbraw/zinc/41/24/65/478412465.db2.gz FRNYHCBIWQDVFZ-RTBURBONSA-N 1 3 340.471 2.795 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000495927272 478416808 /nfs/dbraw/zinc/41/68/08/478416808.db2.gz IDTDVZZDAIQZAU-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000495927272 478416817 /nfs/dbraw/zinc/41/68/17/478416817.db2.gz IDTDVZZDAIQZAU-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO CC(C)c1nc(CN(C)CCC[N@H+](C)CCN(C)C)c2ccccn21 ZINC000570689405 478423568 /nfs/dbraw/zinc/42/35/68/478423568.db2.gz STVJXHHUCDHJSH-UHFFFAOYSA-N 1 3 345.535 2.773 20 0 EFADHO CC(C)c1nc(CN(C)CCC[N@@H+](C)CCN(C)C)c2ccccn21 ZINC000570689405 478423574 /nfs/dbraw/zinc/42/35/74/478423574.db2.gz STVJXHHUCDHJSH-UHFFFAOYSA-N 1 3 345.535 2.773 20 0 EFADHO CC(C)c1nc(CN(C)CCCN(C)CC[NH+](C)C)c2ccccn21 ZINC000570689405 478423580 /nfs/dbraw/zinc/42/35/80/478423580.db2.gz STVJXHHUCDHJSH-UHFFFAOYSA-N 1 3 345.535 2.773 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H](N)CC(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000570713393 478428923 /nfs/dbraw/zinc/42/89/23/478428923.db2.gz MSTIEPGGGCOLMT-FVQBIDKESA-N 1 3 341.446 2.851 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)CC(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000570713392 478429400 /nfs/dbraw/zinc/42/94/00/478429400.db2.gz MSTIEPGGGCOLMT-BMFZPTHFSA-N 1 3 341.446 2.851 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1 ZINC000581731166 478431013 /nfs/dbraw/zinc/43/10/13/478431013.db2.gz MQWOVBXWACWDTC-ZIAGYGMSSA-N 1 3 337.895 2.967 20 0 EFADHO C[NH+](C)CCC1CCN(CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000495980380 478456663 /nfs/dbraw/zinc/45/66/63/478456663.db2.gz JBQZBWPWGYIHEI-UHFFFAOYSA-N 1 3 339.524 2.955 20 0 EFADHO [NH3+]CCCN(Cc1ccc(-n2cncn2)c(F)c1)CC1CCCC1 ZINC000563135082 478458820 /nfs/dbraw/zinc/45/88/20/478458820.db2.gz FDPVINOLYIEPRI-UHFFFAOYSA-N 1 3 331.439 2.747 20 0 EFADHO COc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1OCc1cccnc1 ZINC000563135574 478459360 /nfs/dbraw/zinc/45/93/60/478459360.db2.gz NDOULDIRLQNVDO-HUUCEWRRSA-N 1 3 329.444 2.885 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000591100072 478463519 /nfs/dbraw/zinc/46/35/19/478463519.db2.gz IRTFZYHBRLSICB-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000591101861 478465472 /nfs/dbraw/zinc/46/54/72/478465472.db2.gz PRDYMTGYRQDLGE-UHFFFAOYSA-N 1 3 345.531 2.885 20 0 EFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000540192735 478466767 /nfs/dbraw/zinc/46/67/67/478466767.db2.gz OMNARNJTNUCQCG-QMMLZNLJSA-N 1 3 329.532 2.999 20 0 EFADHO CC(C)[NH2+]CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000570868449 478466874 /nfs/dbraw/zinc/46/68/74/478466874.db2.gz QMMIBNMOULPNSO-SFHVURJKSA-N 1 3 331.504 2.574 20 0 EFADHO CC(C)[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000540192738 478466990 /nfs/dbraw/zinc/46/69/90/478466990.db2.gz OMNARNJTNUCQCG-YYWHXJBOSA-N 1 3 329.532 2.999 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[NH+]1CCCC1 ZINC000563189126 478473858 /nfs/dbraw/zinc/47/38/58/478473858.db2.gz VHOOLEZDMUTXFG-QGZVFWFLSA-N 1 3 329.488 2.887 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000496014023 478480312 /nfs/dbraw/zinc/48/03/12/478480312.db2.gz KHJJRLGCSFNNOM-YESZJQIVSA-N 1 3 339.524 2.953 20 0 EFADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000591177847 478483683 /nfs/dbraw/zinc/48/36/83/478483683.db2.gz XAQVLJREKJMHKT-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(C)C ZINC000591177847 478483686 /nfs/dbraw/zinc/48/36/86/478483686.db2.gz XAQVLJREKJMHKT-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000570939180 478486303 /nfs/dbraw/zinc/48/63/03/478486303.db2.gz DPTQVJMKKQOXMH-OAQYLSRUSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000570939180 478486309 /nfs/dbraw/zinc/48/63/09/478486309.db2.gz DPTQVJMKKQOXMH-OAQYLSRUSA-N 1 3 345.531 2.944 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000570959985 478490368 /nfs/dbraw/zinc/49/03/68/478490368.db2.gz JSPBKFBVWOPRFD-YOEHRIQHSA-N 1 3 344.459 2.667 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496037469 478495419 /nfs/dbraw/zinc/49/54/19/478495419.db2.gz XCALWFIRLLPDIU-HOTGVXAUSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496048844 478502204 /nfs/dbraw/zinc/50/22/04/478502204.db2.gz ZFXVNMNTVJHSQQ-CABCVRRESA-N 1 3 348.491 2.843 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907736 478506086 /nfs/dbraw/zinc/50/60/86/478506086.db2.gz NZFOFNQESXPIQO-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]([N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907736 478506089 /nfs/dbraw/zinc/50/60/89/478506089.db2.gz NZFOFNQESXPIQO-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCc2sccc2C1 ZINC000571061035 478514516 /nfs/dbraw/zinc/51/45/16/478514516.db2.gz MXKBYSMOUIUGHZ-OAGGEKHMSA-N 1 3 335.517 2.661 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000540990075 478525770 /nfs/dbraw/zinc/52/57/70/478525770.db2.gz GSGDJFWBFRHQKS-SFHVURJKSA-N 1 3 335.467 2.657 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COCc1ccccc1F)N1CCCCC1 ZINC000571315421 478569709 /nfs/dbraw/zinc/56/97/09/478569709.db2.gz CCCLNUAAZKIIJP-AEFFLSMTSA-N 1 3 338.467 2.557 20 0 EFADHO Cc1ccc(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000563528836 478578442 /nfs/dbraw/zinc/57/84/42/478578442.db2.gz JADPCTKIKJNKPY-FQEVSTJZSA-N 1 3 342.483 2.895 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000563529506 478578983 /nfs/dbraw/zinc/57/89/83/478578983.db2.gz QIDFNZFOYKBHIF-QXAKKESOSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+]C[C@@H]1CN(CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360796 478579203 /nfs/dbraw/zinc/57/92/03/478579203.db2.gz PGZVADWTRFDEQV-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360796 478579212 /nfs/dbraw/zinc/57/92/12/478579212.db2.gz PGZVADWTRFDEQV-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC12CCOCC2 ZINC000582360796 478579220 /nfs/dbraw/zinc/57/92/20/478579220.db2.gz PGZVADWTRFDEQV-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CCCC4)C3)ccc21 ZINC000571378586 478581059 /nfs/dbraw/zinc/58/10/59/478581059.db2.gz ZQPBVZHHOXFJMW-IEBWSBKVSA-N 1 3 342.487 2.938 20 0 EFADHO CCOC(=O)c1oc2c(c1C)[C@H](N[C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591581838 478586003 /nfs/dbraw/zinc/58/60/03/478586003.db2.gz YVWDSJCMCXDNAP-UKRRQHHQSA-N 1 3 332.444 2.874 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000591618229 478595471 /nfs/dbraw/zinc/59/54/71/478595471.db2.gz KIIWBJZJVAKANW-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000591618229 478595478 /nfs/dbraw/zinc/59/54/78/478595478.db2.gz KIIWBJZJVAKANW-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1Cl)N1CCCCC1 ZINC000563618523 478604052 /nfs/dbraw/zinc/60/40/52/478604052.db2.gz ZXMCCWHJMGCCLA-CVEARBPZSA-N 1 3 340.895 2.934 20 0 EFADHO CNC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000563722742 478623455 /nfs/dbraw/zinc/62/34/55/478623455.db2.gz ISCCVRCNIHTNAS-BMFZPTHFSA-N 1 3 330.394 2.902 20 0 EFADHO C[NH2+]C[C@](C)(O)CN[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000563722742 478623461 /nfs/dbraw/zinc/62/34/61/478623461.db2.gz ISCCVRCNIHTNAS-BMFZPTHFSA-N 1 3 330.394 2.902 20 0 EFADHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000563880557 478653506 /nfs/dbraw/zinc/65/35/06/478653506.db2.gz XFQCTSRLQIVMMT-HIFRSBDPSA-N 1 3 330.501 2.982 20 0 EFADHO Cc1c(Br)cccc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000582677978 478659528 /nfs/dbraw/zinc/65/95/28/478659528.db2.gz ZBODMACMTASPHB-OSAQELSMSA-N 1 3 327.266 2.599 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000528151724 478660999 /nfs/dbraw/zinc/66/09/99/478660999.db2.gz UKHVDMXOUHXZCW-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000563956900 478674704 /nfs/dbraw/zinc/67/47/04/478674704.db2.gz AJJVSKLEYFUOEI-PKOBYXMFSA-N 1 3 329.488 2.532 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CCC2 ZINC000563962868 478676887 /nfs/dbraw/zinc/67/68/87/478676887.db2.gz QENXHOYFOYUETC-IBGZPJMESA-N 1 3 346.519 2.507 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000582779533 478680214 /nfs/dbraw/zinc/68/02/14/478680214.db2.gz RCZKTHZGPRMNFP-LEWJYISDSA-N 1 3 347.466 2.909 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000582779534 478680807 /nfs/dbraw/zinc/68/08/07/478680807.db2.gz RCZKTHZGPRMNFP-NHCUHLMSSA-N 1 3 347.466 2.909 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CCC(F)(F)F)CC2)CC1 ZINC000571818715 478684138 /nfs/dbraw/zinc/68/41/38/478684138.db2.gz TYYPPMYOHPBENY-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCCNC1 ZINC000571872847 478696447 /nfs/dbraw/zinc/69/64/47/478696447.db2.gz DLYGAAKXMOJFPE-CHWSQXEVSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@@H](NCCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]C1 ZINC000571872847 478696458 /nfs/dbraw/zinc/69/64/58/478696458.db2.gz DLYGAAKXMOJFPE-CHWSQXEVSA-N 1 3 331.382 2.847 20 0 EFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCOCC1 ZINC000542845964 478699951 /nfs/dbraw/zinc/69/99/51/478699951.db2.gz GORAYPVRLGNDJL-UXHICEINSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)/C=C\CN(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000491872211 478718862 /nfs/dbraw/zinc/71/88/62/478718862.db2.gz RPOCUQAKVDSDIQ-PVDJYUQQSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)/C=C\CN(C)C)CC[N@H+]1Cc1ccccc1 ZINC000491872211 478718868 /nfs/dbraw/zinc/71/88/68/478718868.db2.gz RPOCUQAKVDSDIQ-PVDJYUQQSA-N 1 3 329.488 2.616 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000564352456 478730737 /nfs/dbraw/zinc/73/07/37/478730737.db2.gz SHIDBTSFQGSBHM-BBWFWOEESA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000564445001 478743427 /nfs/dbraw/zinc/74/34/27/478743427.db2.gz WQDJKNXOIHYOTD-PZJWPPBQSA-N 1 3 346.515 2.904 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000572114857 478754193 /nfs/dbraw/zinc/75/41/93/478754193.db2.gz LSEFNBNSRXCWHW-OALUTQOASA-N 1 3 334.504 2.897 20 0 EFADHO CCOC(=O)C1(C)CC([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC000601285467 478764992 /nfs/dbraw/zinc/76/49/92/478764992.db2.gz UNCVMXADLNWKNQ-UHFFFAOYSA-N 1 3 345.487 2.615 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccnc1C(F)(F)F ZINC000528424919 478768662 /nfs/dbraw/zinc/76/86/62/478768662.db2.gz RNFMIAVSGIVSMJ-UHFFFAOYSA-N 1 3 344.425 2.558 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cnccn2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543755046 478783853 /nfs/dbraw/zinc/78/38/53/478783853.db2.gz PRYJONSAIKMILG-DLBZAZTESA-N 1 3 343.519 2.688 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500591703 478794137 /nfs/dbraw/zinc/79/41/37/478794137.db2.gz MHICGCXEUJFMPV-SCTDSRPQSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500591703 478794140 /nfs/dbraw/zinc/79/41/40/478794140.db2.gz MHICGCXEUJFMPV-SCTDSRPQSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000501576334 478809121 /nfs/dbraw/zinc/80/91/21/478809121.db2.gz FJPGAISIXIROEW-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501576334 478809125 /nfs/dbraw/zinc/80/91/25/478809125.db2.gz FJPGAISIXIROEW-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000572373071 478820173 /nfs/dbraw/zinc/82/01/73/478820173.db2.gz QDAXEMOZJYCTRY-UZLBHIALSA-N 1 3 331.504 2.934 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000583317233 478821902 /nfs/dbraw/zinc/82/19/02/478821902.db2.gz AJUSCYOUBLUSSF-ARFHVFGLSA-N 1 3 326.868 2.542 20 0 EFADHO C[C@H](CNC[C@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000564843545 478827197 /nfs/dbraw/zinc/82/71/97/478827197.db2.gz AJNOJFYLUVDSNN-GDBMZVCRSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000564843545 478827203 /nfs/dbraw/zinc/82/72/03/478827203.db2.gz AJNOJFYLUVDSNN-GDBMZVCRSA-N 1 3 344.421 2.930 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000583338712 478827972 /nfs/dbraw/zinc/82/79/72/478827972.db2.gz BYIQLLIYIFYQRO-UHFFFAOYSA-N 1 3 343.515 2.881 20 0 EFADHO O=C(CC[NH2+]C1CCN(C2CCCCC2)CC1)Nc1cccnc1 ZINC000564848814 478830151 /nfs/dbraw/zinc/83/01/51/478830151.db2.gz GXBXEOQMAKMAPX-UHFFFAOYSA-N 1 3 330.476 2.797 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1cccs1 ZINC000564850245 478830206 /nfs/dbraw/zinc/83/02/06/478830206.db2.gz RDWCKEUVQNJDBB-KRWDZBQOSA-N 1 3 338.517 2.622 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2cccc(F)c2F)CCCC1)C1CC1 ZINC000564864153 478837115 /nfs/dbraw/zinc/83/71/15/478837115.db2.gz PAUFWVAIYPUCSY-OAHLLOKOSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2cccc(F)c2F)CCCC1)C1CC1 ZINC000564864153 478837122 /nfs/dbraw/zinc/83/71/22/478837122.db2.gz PAUFWVAIYPUCSY-OAHLLOKOSA-N 1 3 338.442 2.821 20 0 EFADHO C[C@@H]([NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1)C1CNC1 ZINC000583434767 478850671 /nfs/dbraw/zinc/85/06/71/478850671.db2.gz VAWZYYQTPQXGBA-OAHLLOKOSA-N 1 3 340.471 2.504 20 0 EFADHO C[C@@H](NC1CCN(Cc2coc(-c3ccccc3)n2)CC1)C1C[NH2+]C1 ZINC000583434767 478850681 /nfs/dbraw/zinc/85/06/81/478850681.db2.gz VAWZYYQTPQXGBA-OAHLLOKOSA-N 1 3 340.471 2.504 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000492159343 478852471 /nfs/dbraw/zinc/85/24/71/478852471.db2.gz YLNDWLCSMYLFPY-LFXJARLDSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C\C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000492159343 478852477 /nfs/dbraw/zinc/85/24/77/478852477.db2.gz YLNDWLCSMYLFPY-LFXJARLDSA-N 1 3 341.499 2.617 20 0 EFADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000564955394 478867861 /nfs/dbraw/zinc/86/78/61/478867861.db2.gz YYVUEVACAPTOER-QGZVFWFLSA-N 1 3 336.439 2.536 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000492189989 478869251 /nfs/dbraw/zinc/86/92/51/478869251.db2.gz SQKQDXFMTNMFEW-NJAFHUGGSA-N 1 3 331.460 2.816 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@H]1C ZINC000492189989 478869254 /nfs/dbraw/zinc/86/92/54/478869254.db2.gz SQKQDXFMTNMFEW-NJAFHUGGSA-N 1 3 331.460 2.816 20 0 EFADHO N[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c2ccccc21 ZINC000572593333 478875762 /nfs/dbraw/zinc/87/57/62/478875762.db2.gz IJHDZLDGKVEMAR-ZFVVBOAOSA-N 1 3 340.427 2.902 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)/C=C\CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000492208808 478876036 /nfs/dbraw/zinc/87/60/36/478876036.db2.gz PFHVMTNGGWLJGF-YXGRLTDGSA-N 1 3 329.488 2.521 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)/C=C\CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000492208808 478876044 /nfs/dbraw/zinc/87/60/44/478876044.db2.gz PFHVMTNGGWLJGF-YXGRLTDGSA-N 1 3 329.488 2.521 20 0 EFADHO C[NH+]1CCC(Oc2ccc(CNC[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000583560606 478879914 /nfs/dbraw/zinc/87/99/14/478879914.db2.gz WWHLSTSCLIZSDX-MRXNPFEDSA-N 1 3 346.393 2.563 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000565038211 478893316 /nfs/dbraw/zinc/89/33/16/478893316.db2.gz LXWSXJMVNRVQRG-RTBURBONSA-N 1 3 344.503 2.535 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714709 478893649 /nfs/dbraw/zinc/89/36/49/478893649.db2.gz QBZXWLMVYOMDMT-QGZVFWFLSA-N 1 3 346.475 2.507 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714709 478893658 /nfs/dbraw/zinc/89/36/58/478893658.db2.gz QBZXWLMVYOMDMT-QGZVFWFLSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046088 478897413 /nfs/dbraw/zinc/89/74/13/478897413.db2.gz BLQDMHCPAHOVIK-YCPHGPKFSA-N 1 3 327.432 2.514 20 0 EFADHO CN(C[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000572714764 478901381 /nfs/dbraw/zinc/90/13/81/478901381.db2.gz XYBPFIZOISRFIO-OAQYLSRUSA-N 1 3 345.531 2.607 20 0 EFADHO CSCC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nnc2ccccn21 ZINC000592469503 478905761 /nfs/dbraw/zinc/90/57/61/478905761.db2.gz RYNLZXXMPJNNML-JJXSEGSLSA-N 1 3 345.516 2.501 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000572779872 478917915 /nfs/dbraw/zinc/91/79/15/478917915.db2.gz XTODKZOZUSIHHD-GOSISDBHSA-N 1 3 331.504 2.641 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC[NH2+]C1CC1 ZINC000572780157 478918213 /nfs/dbraw/zinc/91/82/13/478918213.db2.gz BPAYNFDIQUSACI-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000583741242 478929324 /nfs/dbraw/zinc/92/93/24/478929324.db2.gz LDVACCJPXFRUIJ-HNNXBMFYSA-N 1 3 330.476 2.779 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000583741242 478929330 /nfs/dbraw/zinc/92/93/30/478929330.db2.gz LDVACCJPXFRUIJ-HNNXBMFYSA-N 1 3 330.476 2.779 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000583801212 478944330 /nfs/dbraw/zinc/94/43/30/478944330.db2.gz GSVYPGZBOKRDKL-HKUYNNGSSA-N 1 3 344.503 2.594 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@H]1C ZINC000572942458 478955695 /nfs/dbraw/zinc/95/56/95/478955695.db2.gz RBMRBCHOBMBRDP-ZBFHGGJFSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@H]1C ZINC000572942458 478955701 /nfs/dbraw/zinc/95/57/01/478955701.db2.gz RBMRBCHOBMBRDP-ZBFHGGJFSA-N 1 3 330.476 2.669 20 0 EFADHO CN(C)Cc1cccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000583980660 478984444 /nfs/dbraw/zinc/98/44/44/478984444.db2.gz NIKCKTRNAMMDHY-SFHVURJKSA-N 1 3 347.528 2.904 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000583989709 478986742 /nfs/dbraw/zinc/98/67/42/478986742.db2.gz NPSLPXRGPVEUJR-YUELXQCFSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000583989709 478986747 /nfs/dbraw/zinc/98/67/47/478986747.db2.gz NPSLPXRGPVEUJR-YUELXQCFSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512546730 478999708 /nfs/dbraw/zinc/99/97/08/478999708.db2.gz XKKUNDUKJKCIDW-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512546730 478999716 /nfs/dbraw/zinc/99/97/16/478999716.db2.gz XKKUNDUKJKCIDW-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000565416915 479002984 /nfs/dbraw/zinc/00/29/84/479002984.db2.gz KENCLXRZMAHWRD-BRWVUGGUSA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000565416915 479002990 /nfs/dbraw/zinc/00/29/90/479002990.db2.gz KENCLXRZMAHWRD-BRWVUGGUSA-N 1 3 340.895 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513911188 479016108 /nfs/dbraw/zinc/01/61/08/479016108.db2.gz LXTVTGODNALLRI-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513911188 479016111 /nfs/dbraw/zinc/01/61/11/479016111.db2.gz LXTVTGODNALLRI-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000595826080 479017960 /nfs/dbraw/zinc/01/79/60/479017960.db2.gz RMBYZANYZFECFM-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCN(C)C)CC(C)C ZINC000595826080 479017967 /nfs/dbraw/zinc/01/79/67/479017967.db2.gz RMBYZANYZFECFM-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+]1CCCC[C@@H]1C ZINC000565527906 479027489 /nfs/dbraw/zinc/02/74/89/479027489.db2.gz HUWSNSFPUKPJDW-GJZGRUSLSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@H+]1CCCC[C@@H]1C ZINC000565527906 479027495 /nfs/dbraw/zinc/02/74/95/479027495.db2.gz HUWSNSFPUKPJDW-GJZGRUSLSA-N 1 3 346.475 2.553 20 0 EFADHO CC(C)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000573385780 479055243 /nfs/dbraw/zinc/05/52/43/479055243.db2.gz JFQBDSRVRKZYDS-YLJYHZDGSA-N 1 3 343.515 2.575 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000595900244 479059255 /nfs/dbraw/zinc/05/92/55/479059255.db2.gz CDGWZZNZFILWDV-GOSISDBHSA-N 1 3 346.471 2.564 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000565669807 479060138 /nfs/dbraw/zinc/06/01/38/479060138.db2.gz JQGDJUZHZSWFRN-BHIYHBOVSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000565669807 479060148 /nfs/dbraw/zinc/06/01/48/479060148.db2.gz JQGDJUZHZSWFRN-BHIYHBOVSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000565669807 479060150 /nfs/dbraw/zinc/06/01/50/479060150.db2.gz JQGDJUZHZSWFRN-BHIYHBOVSA-N 1 3 332.488 2.871 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000584289578 479081914 /nfs/dbraw/zinc/08/19/14/479081914.db2.gz UBKLABJXPICLSH-PKOBYXMFSA-N 1 3 329.488 2.644 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CNCc2ccccc21 ZINC000584289578 479081920 /nfs/dbraw/zinc/08/19/20/479081920.db2.gz UBKLABJXPICLSH-PKOBYXMFSA-N 1 3 329.488 2.644 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000514900042 479085981 /nfs/dbraw/zinc/08/59/81/479085981.db2.gz PAPODPSLOZTYFR-KRWDZBQOSA-N 1 3 345.487 2.619 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933465 479093064 /nfs/dbraw/zinc/09/30/64/479093064.db2.gz XYESWAICCFGAPO-FPOVZHCZSA-N 1 3 342.458 2.841 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933465 479093068 /nfs/dbraw/zinc/09/30/68/479093068.db2.gz XYESWAICCFGAPO-FPOVZHCZSA-N 1 3 342.458 2.841 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000514992048 479102079 /nfs/dbraw/zinc/10/20/79/479102079.db2.gz FHWLNEKMHKCXDH-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000514992048 479102082 /nfs/dbraw/zinc/10/20/82/479102082.db2.gz FHWLNEKMHKCXDH-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+]1CCC(CNC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000584390136 479116616 /nfs/dbraw/zinc/11/66/16/479116616.db2.gz WVOUIESXAWMXCJ-UHFFFAOYSA-N 1 3 332.492 2.644 20 0 EFADHO Cc1ncc(C[NH2+][C@H]2[C@H](C)CN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000515072824 479116896 /nfs/dbraw/zinc/11/68/96/479116896.db2.gz KPWAUTGJLMSJPK-IGOJGBNBSA-N 1 3 326.488 2.975 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000584405768 479123484 /nfs/dbraw/zinc/12/34/84/479123484.db2.gz ZSMZOHWPXBOOGK-LAUBAEHRSA-N 1 3 342.483 2.881 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000515164855 479126321 /nfs/dbraw/zinc/12/63/21/479126321.db2.gz TZBGNASSAKQCCC-MSOLQXFVSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000515164855 479126328 /nfs/dbraw/zinc/12/63/28/479126328.db2.gz TZBGNASSAKQCCC-MSOLQXFVSA-N 1 3 332.492 2.545 20 0 EFADHO COC(=O)CC1CCC([NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000599034051 479133263 /nfs/dbraw/zinc/13/32/63/479133263.db2.gz YYTDMZNYNGQYIB-MRLCAUJQSA-N 1 3 340.508 2.587 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000493751839 479145854 /nfs/dbraw/zinc/14/58/54/479145854.db2.gz IWQSQSFFHOZVBU-UEOUDEGLSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000493751839 479145860 /nfs/dbraw/zinc/14/58/60/479145860.db2.gz IWQSQSFFHOZVBU-UEOUDEGLSA-N 1 3 329.488 2.795 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCNCC[C@H]3C)cc2)n1 ZINC000584584966 479187157 /nfs/dbraw/zinc/18/71/57/479187157.db2.gz UYKPVZWKEXBSJQ-RHSMWYFYSA-N 1 3 328.460 2.819 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@@H]3CC[NH2+]CC[C@H]3C)cc2)n1 ZINC000584584966 479187167 /nfs/dbraw/zinc/18/71/67/479187167.db2.gz UYKPVZWKEXBSJQ-RHSMWYFYSA-N 1 3 328.460 2.819 20 0 EFADHO c1ccc([C@@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000574071561 479210270 /nfs/dbraw/zinc/21/02/70/479210270.db2.gz YUOWMLBNUIQKAS-SJORKVTESA-N 1 3 325.460 2.698 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)NCCN1CCCCCC1 ZINC000556888669 479234272 /nfs/dbraw/zinc/23/42/72/479234272.db2.gz GFQJIFZQCNEQEE-PMACEKPBSA-N 1 3 343.515 2.905 20 0 EFADHO COC[C@@]1([NH2+]C2CCN(C(C)(C)C)CC2)COc2ccccc2C1 ZINC000529669940 479242199 /nfs/dbraw/zinc/24/21/99/479242199.db2.gz XQGLJWAZBBSHCN-HXUWFJFHSA-N 1 3 332.488 2.859 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000574260456 479250668 /nfs/dbraw/zinc/25/06/68/479250668.db2.gz JMTCYUOODOGUKQ-HKUYNNGSSA-N 1 3 344.503 2.594 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000584835347 479257783 /nfs/dbraw/zinc/25/77/83/479257783.db2.gz VBTUIQXZHJHZSB-MJGOQNOKSA-N 1 3 334.504 2.843 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3csc4ccccc34)C2)nn1 ZINC000574293586 479259842 /nfs/dbraw/zinc/25/98/42/479259842.db2.gz DPESIYCLGFEELJ-HNNXBMFYSA-N 1 3 327.457 2.789 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)nn1 ZINC000574293586 479259850 /nfs/dbraw/zinc/25/98/50/479259850.db2.gz DPESIYCLGFEELJ-HNNXBMFYSA-N 1 3 327.457 2.789 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000557521129 479285909 /nfs/dbraw/zinc/28/59/09/479285909.db2.gz MDFQRPSDFWXDQU-IAGOWNOFSA-N 1 3 347.503 2.653 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000593315590 479289652 /nfs/dbraw/zinc/28/96/52/479289652.db2.gz IPTHGZUQXDWXGM-KDOFPFPSSA-N 1 3 348.487 2.805 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000593315592 479290114 /nfs/dbraw/zinc/29/01/14/479290114.db2.gz IPTHGZUQXDWXGM-RDTXWAMCSA-N 1 3 348.487 2.805 20 0 EFADHO CN1CC[C@@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000585116058 479290684 /nfs/dbraw/zinc/29/06/84/479290684.db2.gz FYLGJGMFSLCVQL-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)c1 ZINC000574631168 479318525 /nfs/dbraw/zinc/31/85/25/479318525.db2.gz CTNRDRXWYBOQTH-FQEVSTJZSA-N 1 3 346.515 2.985 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000585768084 479323815 /nfs/dbraw/zinc/32/38/15/479323815.db2.gz BGGCOAWKMATVPZ-APWZRJJASA-N 1 3 332.488 2.871 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)oc1C ZINC000574981249 479382656 /nfs/dbraw/zinc/38/26/56/479382656.db2.gz KLDQXGCZMPPBIE-ZWKOTPCHSA-N 1 3 334.508 2.753 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000574987306 479384281 /nfs/dbraw/zinc/38/42/81/479384281.db2.gz RMRJXJBCEJPEBC-JZXOWHBKSA-N 1 3 346.519 2.712 20 0 EFADHO c1cc2n(n1)C[C@H](CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CN2 ZINC000596691757 479390089 /nfs/dbraw/zinc/39/00/89/479390089.db2.gz WSMGAJSGKFHGJL-MSOLQXFVSA-N 1 3 331.508 2.559 20 0 EFADHO c1cc2n(n1)C[C@H](CNC[C@@H]1CCC[N@H+]1CC1CCCCC1)CN2 ZINC000596691757 479390097 /nfs/dbraw/zinc/39/00/97/479390097.db2.gz WSMGAJSGKFHGJL-MSOLQXFVSA-N 1 3 331.508 2.559 20 0 EFADHO COc1cc(OC)c(CNCC2(SC)CC[NH+](C)CC2)cc1F ZINC000593630650 479409197 /nfs/dbraw/zinc/40/91/97/479409197.db2.gz UHGQVTXAENLOAF-UHFFFAOYSA-N 1 3 342.480 2.760 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)NCCN1CCCCCC1 ZINC000575203114 479419332 /nfs/dbraw/zinc/41/93/32/479419332.db2.gz FJOUXVNVFZDOEF-GJZGRUSLSA-N 1 3 349.441 2.689 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@@H](C2CCCCC2)[NH+](C)C)nc1 ZINC000575741776 479464822 /nfs/dbraw/zinc/46/48/22/479464822.db2.gz TWAJMEQYTUJYQU-KRWDZBQOSA-N 1 3 332.492 2.819 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)F ZINC000575743809 479465027 /nfs/dbraw/zinc/46/50/27/479465027.db2.gz UJUBBXOOJCGBDD-UHFFFAOYSA-N 1 3 328.407 2.581 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](C)[C@@H](C)CC)N(C)C)cc1 ZINC000589206123 479498727 /nfs/dbraw/zinc/49/87/27/479498727.db2.gz VHOGKMFXVQJWLM-LPHOPBHVSA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](C)[C@@H](C)CC)N(C)C)cc1 ZINC000589206123 479498735 /nfs/dbraw/zinc/49/87/35/479498735.db2.gz VHOGKMFXVQJWLM-LPHOPBHVSA-N 1 3 348.535 2.881 20 0 EFADHO C[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@@H](N)c1ccccc1 ZINC000575921823 479502096 /nfs/dbraw/zinc/50/20/96/479502096.db2.gz TXRQDFRXIQHJLN-BMGDILEWSA-N 1 3 329.488 2.559 20 0 EFADHO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000575970812 479513176 /nfs/dbraw/zinc/51/31/76/479513176.db2.gz LIRAUSBUIMYPFE-HNNXBMFYSA-N 1 3 325.416 2.629 20 0 EFADHO Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC000575970812 479513183 /nfs/dbraw/zinc/51/31/83/479513183.db2.gz LIRAUSBUIMYPFE-HNNXBMFYSA-N 1 3 325.416 2.629 20 0 EFADHO CSC1(CNCc2c(C)nc3sc(C)cn23)CC[NH+](C)CC1 ZINC000589325650 479513739 /nfs/dbraw/zinc/51/37/39/479513739.db2.gz WOJIEASSINCUIZ-UHFFFAOYSA-N 1 3 338.546 2.930 20 0 EFADHO CSC1(C[NH2+]Cc2c(C)nc3sc(C)cn23)CCN(C)CC1 ZINC000589325650 479513744 /nfs/dbraw/zinc/51/37/44/479513744.db2.gz WOJIEASSINCUIZ-UHFFFAOYSA-N 1 3 338.546 2.930 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC3CCC3)CC2)CC1 ZINC000618614514 479515542 /nfs/dbraw/zinc/51/55/42/479515542.db2.gz NYMRFPCYTUFJFN-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000575981333 479515826 /nfs/dbraw/zinc/51/58/26/479515826.db2.gz HJJMSEYTNHMMKF-KSSFIOAISA-N 1 3 340.895 2.852 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418253 479516244 /nfs/dbraw/zinc/51/62/44/479516244.db2.gz NTQZQICNRJJZHN-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418253 479516249 /nfs/dbraw/zinc/51/62/49/479516249.db2.gz NTQZQICNRJJZHN-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)[C@@H](C)C1 ZINC000604418253 479516253 /nfs/dbraw/zinc/51/62/53/479516253.db2.gz NTQZQICNRJJZHN-DOTOQJQBSA-N 1 3 330.476 2.790 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576172856 479556762 /nfs/dbraw/zinc/55/67/62/479556762.db2.gz KZMKIKXJPNQAOX-MSOLQXFVSA-N 1 3 345.531 2.928 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CN1C1CC1 ZINC000612106926 479585672 /nfs/dbraw/zinc/58/56/72/479585672.db2.gz SAHXCCUODKRGMO-POAQFYNOSA-N 1 3 341.499 2.607 20 0 EFADHO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000597237620 479636326 /nfs/dbraw/zinc/63/63/26/479636326.db2.gz ACZQHMREEDWQAH-MJGOQNOKSA-N 1 3 331.460 2.762 20 0 EFADHO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000597236675 479636805 /nfs/dbraw/zinc/63/68/05/479636805.db2.gz WXAAQJWJFNYEGJ-QUCCMNQESA-N 1 3 348.487 2.839 20 0 EFADHO CCOc1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000578966581 479640099 /nfs/dbraw/zinc/64/00/99/479640099.db2.gz NNYRRWODWHWQQE-XLIONFOSSA-N 1 3 348.487 2.812 20 0 EFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000578983347 479644251 /nfs/dbraw/zinc/64/42/51/479644251.db2.gz INCLAWXAHCUZBR-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615318170 479655888 /nfs/dbraw/zinc/65/58/88/479655888.db2.gz IYDZPUDADKAOHJ-VQIMIIECSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618986578 479660255 /nfs/dbraw/zinc/66/02/55/479660255.db2.gz GOKYGHRYPMNJNM-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618986578 479660258 /nfs/dbraw/zinc/66/02/58/479660258.db2.gz GOKYGHRYPMNJNM-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]C1 ZINC000579099856 479660970 /nfs/dbraw/zinc/66/09/70/479660970.db2.gz COLCBYXMRHDTLI-GXTWGEPZSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCNC1 ZINC000579099856 479660972 /nfs/dbraw/zinc/66/09/72/479660972.db2.gz COLCBYXMRHDTLI-GXTWGEPZSA-N 1 3 331.382 2.543 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000605989022 479673786 /nfs/dbraw/zinc/67/37/86/479673786.db2.gz WFXHSLRLSHPBOE-SFHVURJKSA-N 1 3 338.540 2.863 20 0 EFADHO C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCN1C1CC1)CC2 ZINC000615446126 479674712 /nfs/dbraw/zinc/67/47/12/479674712.db2.gz JIBDLIFBHSPUQG-SFHVURJKSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC000615600611 479703536 /nfs/dbraw/zinc/70/35/36/479703536.db2.gz DMMVCTBSUMPAJQ-QUCCMNQESA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC000615600611 479703543 /nfs/dbraw/zinc/70/35/43/479703543.db2.gz DMMVCTBSUMPAJQ-QUCCMNQESA-N 1 3 333.520 2.728 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606659663 479717031 /nfs/dbraw/zinc/71/70/31/479717031.db2.gz RGMCXIKONDYNHR-APWZRJJASA-N 1 3 346.519 2.627 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)CC1CCCCC1)C(C)C ZINC000606667030 479719836 /nfs/dbraw/zinc/71/98/36/479719836.db2.gz ZYQDAYHSBBHVDK-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)CC1CCCCC1)C(C)C ZINC000606667030 479719842 /nfs/dbraw/zinc/71/98/42/479719842.db2.gz ZYQDAYHSBBHVDK-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000628017742 479733055 /nfs/dbraw/zinc/73/30/55/479733055.db2.gz HGXUCLFUGOMDFZ-RBUKOAKNSA-N 1 3 343.515 2.665 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000628017742 479733058 /nfs/dbraw/zinc/73/30/58/479733058.db2.gz HGXUCLFUGOMDFZ-RBUKOAKNSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642594 479735068 /nfs/dbraw/zinc/73/50/68/479735068.db2.gz QZJHHRKYILFIJI-ZHALLVOQSA-N 1 3 329.488 2.718 20 0 EFADHO CCc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621641476 479735473 /nfs/dbraw/zinc/73/54/73/479735473.db2.gz LAULLRAFPYUEEM-MJGOQNOKSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642595 479735550 /nfs/dbraw/zinc/73/55/50/479735550.db2.gz QZJHHRKYILFIJI-ZIFCJYIRSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000621642167 479735608 /nfs/dbraw/zinc/73/56/08/479735608.db2.gz GRPRXADKYYJOFQ-MJGOQNOKSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000621642165 479735826 /nfs/dbraw/zinc/73/58/26/479735826.db2.gz GRPRXADKYYJOFQ-HKUYNNGSSA-N 1 3 329.488 2.720 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606841528 479740179 /nfs/dbraw/zinc/74/01/79/479740179.db2.gz YIKKHYAIKZKIND-QUCCMNQESA-N 1 3 345.531 2.973 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606841528 479740185 /nfs/dbraw/zinc/74/01/85/479740185.db2.gz YIKKHYAIKZKIND-QUCCMNQESA-N 1 3 345.531 2.973 20 0 EFADHO CCc1ccc(F)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000630862673 479750043 /nfs/dbraw/zinc/75/00/43/479750043.db2.gz LAWMWEQEIXTYDW-UHFFFAOYSA-N 1 3 347.478 2.677 20 0 EFADHO CC1CCN([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612870449 479787134 /nfs/dbraw/zinc/78/71/34/479787134.db2.gz CXYLRJYOKOHEON-UYAOXDASSA-N 1 3 344.503 2.511 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@]3(C)CCCS3)CC2)CC1 ZINC000628238342 479825120 /nfs/dbraw/zinc/82/51/20/479825120.db2.gz UVYNEQUCKIYODL-SFHVURJKSA-N 1 3 325.566 2.622 20 0 EFADHO CN1CCN(CC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000628261098 479832609 /nfs/dbraw/zinc/83/26/09/479832609.db2.gz IBEHEBGXTNJJST-UHFFFAOYSA-N 1 3 343.437 2.864 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000628316301 479853045 /nfs/dbraw/zinc/85/30/45/479853045.db2.gz QFWIUAWMKFGEQJ-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000628316301 479853051 /nfs/dbraw/zinc/85/30/51/479853051.db2.gz QFWIUAWMKFGEQJ-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO COc1cccc2c1OCCC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000631565675 480157859 /nfs/dbraw/zinc/15/78/59/480157859.db2.gz KHJBZJVNBCDSMR-SFHVURJKSA-N 1 3 347.503 2.525 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000617343860 480174544 /nfs/dbraw/zinc/17/45/44/480174544.db2.gz ZHUWGWTYNGQBJW-RBUKOAKNSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000631664622 480206266 /nfs/dbraw/zinc/20/62/66/480206266.db2.gz QNEJUMGKBMHTQF-ZIFCJYIRSA-N 1 3 341.503 2.759 20 0 EFADHO C[NH+](C)CCOc1ccc(CNc2ccc3c(c2)OCCNC3)cc1 ZINC000629403521 480245716 /nfs/dbraw/zinc/24/57/16/480245716.db2.gz VAEFSIXCPCSMBW-UHFFFAOYSA-N 1 3 341.455 2.721 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000623453635 480292143 /nfs/dbraw/zinc/29/21/43/480292143.db2.gz YBHOUKSOFQWWNG-SJORKVTESA-N 1 3 338.879 2.816 20 0 EFADHO CO[C@H](CN1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000629547668 480299981 /nfs/dbraw/zinc/29/99/81/480299981.db2.gz LIOPWUUHFAHLIH-AKHDSKFASA-N 1 3 336.451 2.874 20 0 EFADHO O[C@H](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000629554686 480303624 /nfs/dbraw/zinc/30/36/24/480303624.db2.gz NFYKRXASABSRBL-MXEMCNAFSA-N 1 3 346.515 2.855 20 0 EFADHO O[C@H](C[NH2+][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)CN1CCCC1 ZINC000629558604 480305434 /nfs/dbraw/zinc/30/54/34/480305434.db2.gz KHMDZRCTUQBSCO-XNRPHZJLSA-N 1 3 328.378 2.608 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000623485737 480305735 /nfs/dbraw/zinc/30/57/35/480305735.db2.gz YZEZPWURKSSMBP-IBGZPJMESA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000623485737 480305743 /nfs/dbraw/zinc/30/57/43/480305743.db2.gz YZEZPWURKSSMBP-IBGZPJMESA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629558501 480305959 /nfs/dbraw/zinc/30/59/59/480305959.db2.gz ITDLYTFPANHDLD-IUODEOHRSA-N 1 3 331.287 2.971 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629565463 480309820 /nfs/dbraw/zinc/30/98/20/480309820.db2.gz PTFVELSTGUVZJT-ZCNNSNEGSA-N 1 3 332.488 2.509 20 0 EFADHO COC[C@H](C)[N@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000629590413 480320526 /nfs/dbraw/zinc/32/05/26/480320526.db2.gz YSGPOUMMSRTJAZ-VDZJLULYSA-N 1 3 330.472 2.532 20 0 EFADHO COC[C@H](C)[N@@H+](C[C@@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000629590413 480320530 /nfs/dbraw/zinc/32/05/30/480320530.db2.gz YSGPOUMMSRTJAZ-VDZJLULYSA-N 1 3 330.472 2.532 20 0 EFADHO Cc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)ncc1Br ZINC000623547734 480335404 /nfs/dbraw/zinc/33/54/04/480335404.db2.gz ZYJVAKRPPFWMLN-CYBMUJFWSA-N 1 3 326.282 2.974 20 0 EFADHO Cc1cc(CNCC[C@H]2CCC[N@H+](C)C2)ncc1Br ZINC000623547734 480335408 /nfs/dbraw/zinc/33/54/08/480335408.db2.gz ZYJVAKRPPFWMLN-CYBMUJFWSA-N 1 3 326.282 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000621106109 480337596 /nfs/dbraw/zinc/33/75/96/480337596.db2.gz DPBDGWQYHXBMDW-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000621106109 480337600 /nfs/dbraw/zinc/33/76/00/480337600.db2.gz DPBDGWQYHXBMDW-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000621107612 480337931 /nfs/dbraw/zinc/33/79/31/480337931.db2.gz JGHUBPMOQUCSNC-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000621107612 480337935 /nfs/dbraw/zinc/33/79/35/480337935.db2.gz JGHUBPMOQUCSNC-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)N(C)C)cc1 ZINC000623566162 480342786 /nfs/dbraw/zinc/34/27/86/480342786.db2.gz ISOUQNOJKFXFFV-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)N(C)C)cc1 ZINC000623566162 480342790 /nfs/dbraw/zinc/34/27/90/480342790.db2.gz ISOUQNOJKFXFFV-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO CCc1ccc(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)cc1 ZINC000629665750 480350077 /nfs/dbraw/zinc/35/00/77/480350077.db2.gz OOSCGOQZKIMHTA-GOSISDBHSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596976 480354856 /nfs/dbraw/zinc/35/48/56/480354856.db2.gz RRCWFRHJQURVFN-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596976 480354857 /nfs/dbraw/zinc/35/48/57/480354857.db2.gz RRCWFRHJQURVFN-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC[NH+](CC)CCOc1ccc(-c2cnn(CCN(C)C)c2)cc1 ZINC000629706108 480365206 /nfs/dbraw/zinc/36/52/06/480365206.db2.gz VABCBBQLXKKLTC-UHFFFAOYSA-N 1 3 330.476 2.832 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000623657609 480383000 /nfs/dbraw/zinc/38/30/00/480383000.db2.gz VKIMNLXOAKSWBE-AWEZNQCLSA-N 1 3 333.867 2.742 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1CN1CCCC[C@H]1C)S(C)(=O)=O ZINC000644522293 480411695 /nfs/dbraw/zinc/41/16/95/480411695.db2.gz JSKQCHPWPBPLOA-HZPDHXFCSA-N 1 3 338.517 2.584 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1CN1CCCC[C@@H]1C)S(C)(=O)=O ZINC000644522292 480412119 /nfs/dbraw/zinc/41/21/19/480412119.db2.gz JSKQCHPWPBPLOA-HOTGVXAUSA-N 1 3 338.517 2.584 20 0 EFADHO O=C(CCNCc1cccc(C[NH+]2CCCC2)c1)Nc1cccnc1 ZINC000644519241 480412344 /nfs/dbraw/zinc/41/23/44/480412344.db2.gz AJAZDQOXYDPNGZ-UHFFFAOYSA-N 1 3 338.455 2.796 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2)c1 ZINC000644526815 480417224 /nfs/dbraw/zinc/41/72/24/480417224.db2.gz ALTYDGIRKNBPGN-IBGZPJMESA-N 1 3 328.456 2.668 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2)c1 ZINC000644526815 480417232 /nfs/dbraw/zinc/41/72/32/480417232.db2.gz ALTYDGIRKNBPGN-IBGZPJMESA-N 1 3 328.456 2.668 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000644532061 480421983 /nfs/dbraw/zinc/42/19/83/480421983.db2.gz YFVCSDVAGJAESO-OALUTQOASA-N 1 3 334.504 2.753 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000644535501 480423348 /nfs/dbraw/zinc/42/33/48/480423348.db2.gz FCYZPEWWTBPLLM-XHDPSFHLSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644535501 480423357 /nfs/dbraw/zinc/42/33/57/480423357.db2.gz FCYZPEWWTBPLLM-XHDPSFHLSA-N 1 3 331.287 2.969 20 0 EFADHO Cc1ccc2nc(CN(C)CCCC[NH+]3CCCCC3)cc(=O)n2c1 ZINC000640533462 480437742 /nfs/dbraw/zinc/43/77/42/480437742.db2.gz SBNXXTQSHLPSJZ-UHFFFAOYSA-N 1 3 342.487 2.701 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000637982015 480438934 /nfs/dbraw/zinc/43/89/34/480438934.db2.gz OIXUYBALVCRZGQ-TZIWHRDSSA-N 1 3 343.515 2.570 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634698198 480440362 /nfs/dbraw/zinc/44/03/62/480440362.db2.gz DFGMVOHUBZLIEW-OAHLLOKOSA-N 1 3 347.286 2.807 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000635528927 480442697 /nfs/dbraw/zinc/44/26/97/480442697.db2.gz XWEQWADLWDWYEW-BHIYHBOVSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000634706465 480446159 /nfs/dbraw/zinc/44/61/59/480446159.db2.gz PPEGXSZFKYIIBW-KCPJHIHWSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000634706465 480446167 /nfs/dbraw/zinc/44/61/67/480446167.db2.gz PPEGXSZFKYIIBW-KCPJHIHWSA-N 1 3 347.286 2.805 20 0 EFADHO Cc1noc(C)c1[C@@H](C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709184 480449433 /nfs/dbraw/zinc/44/94/33/480449433.db2.gz FMWFYHSHELWSBK-MGPUTAFESA-N 1 3 343.471 2.622 20 0 EFADHO Cc1noc(C)c1[C@@H](C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709184 480449442 /nfs/dbraw/zinc/44/94/42/480449442.db2.gz FMWFYHSHELWSBK-MGPUTAFESA-N 1 3 343.471 2.622 20 0 EFADHO Cc1noc(C)c1[C@H](C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709185 480451226 /nfs/dbraw/zinc/45/12/26/480451226.db2.gz FMWFYHSHELWSBK-QRWLVFNGSA-N 1 3 343.471 2.622 20 0 EFADHO Cc1noc(C)c1[C@H](C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709185 480451237 /nfs/dbraw/zinc/45/12/37/480451237.db2.gz FMWFYHSHELWSBK-QRWLVFNGSA-N 1 3 343.471 2.622 20 0 EFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712541 480454687 /nfs/dbraw/zinc/45/46/87/480454687.db2.gz HWZFNUXINVKLOL-PWRODBHTSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@@]1(CN[C@@H]2C[C@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712541 480454691 /nfs/dbraw/zinc/45/46/91/480454691.db2.gz HWZFNUXINVKLOL-PWRODBHTSA-N 1 3 340.442 2.908 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617976187 480458583 /nfs/dbraw/zinc/45/85/83/480458583.db2.gz SULYPXONLBJZCO-INIZCTEOSA-N 1 3 346.519 2.577 20 0 EFADHO CC[C@@H](C(=O)NCC1CCN(Cc2ccncc2)CC1)[NH+](CC)CC ZINC000617978281 480459142 /nfs/dbraw/zinc/45/91/42/480459142.db2.gz XPKUWTBEWTXHTC-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000634724532 480467255 /nfs/dbraw/zinc/46/72/55/480467255.db2.gz SDLBJTAQXOBSCX-IHPCNDPISA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724532 480467261 /nfs/dbraw/zinc/46/72/61/480467261.db2.gz SDLBJTAQXOBSCX-IHPCNDPISA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000634724532 480467270 /nfs/dbraw/zinc/46/72/70/480467270.db2.gz SDLBJTAQXOBSCX-IHPCNDPISA-N 1 3 334.504 2.520 20 0 EFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC000635567554 480468662 /nfs/dbraw/zinc/46/86/62/480468662.db2.gz BDEGEDNLRIUDQQ-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CCC1 ZINC000629952439 480469550 /nfs/dbraw/zinc/46/95/50/480469550.db2.gz BXWBFYUUUYOYRG-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000629962300 480476823 /nfs/dbraw/zinc/47/68/23/480476823.db2.gz SZDCUIKDDDMAEH-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1C ZINC000644618443 480477182 /nfs/dbraw/zinc/47/71/82/480477182.db2.gz JZSYARFJZIMQAH-MJGOQNOKSA-N 1 3 332.488 2.592 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)C1CCC1 ZINC000629967372 480481160 /nfs/dbraw/zinc/48/11/60/480481160.db2.gz MOAAYPRJLTVDEI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)C1CCC1 ZINC000629967372 480481163 /nfs/dbraw/zinc/48/11/63/480481163.db2.gz MOAAYPRJLTVDEI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)N2CCCC2)cc1 ZINC000638048454 480492799 /nfs/dbraw/zinc/49/27/99/480492799.db2.gz DKSQPRYMOZGPKI-OALUTQOASA-N 1 3 347.503 2.712 20 0 EFADHO CCOCC[C@@H](O)C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000644651564 480497854 /nfs/dbraw/zinc/49/78/54/480497854.db2.gz ZLUKEAIACWVPOZ-WOJBJXKFSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@@H](O)CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000644651564 480497858 /nfs/dbraw/zinc/49/78/58/480497858.db2.gz ZLUKEAIACWVPOZ-WOJBJXKFSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@@H](O)CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651564 480497864 /nfs/dbraw/zinc/49/78/64/480497864.db2.gz ZLUKEAIACWVPOZ-WOJBJXKFSA-N 1 3 334.504 2.666 20 0 EFADHO CN(CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629993644 480500646 /nfs/dbraw/zinc/50/06/46/480500646.db2.gz FHSGEHHCFCGCDU-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000629993644 480500653 /nfs/dbraw/zinc/50/06/53/480500653.db2.gz FHSGEHHCFCGCDU-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cccc([C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)c1 ZINC000623888647 480504702 /nfs/dbraw/zinc/50/47/02/480504702.db2.gz OLPOCZITPWUCKS-RBUKOAKNSA-N 1 3 331.504 2.869 20 0 EFADHO Cc1cccc([C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)c1 ZINC000623888647 480504712 /nfs/dbraw/zinc/50/47/12/480504712.db2.gz OLPOCZITPWUCKS-RBUKOAKNSA-N 1 3 331.504 2.869 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638103826 480534954 /nfs/dbraw/zinc/53/49/54/480534954.db2.gz UVDWCVAYEXILCH-WDSOQIARSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000638103826 480534960 /nfs/dbraw/zinc/53/49/60/480534960.db2.gz UVDWCVAYEXILCH-WDSOQIARSA-N 1 3 331.504 2.919 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1csc(C)c1 ZINC000640647170 480539130 /nfs/dbraw/zinc/53/91/30/480539130.db2.gz MKDBBLMYBPTVLY-INIZCTEOSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1csc(C)c1 ZINC000640647170 480539135 /nfs/dbraw/zinc/53/91/35/480539135.db2.gz MKDBBLMYBPTVLY-INIZCTEOSA-N 1 3 338.521 2.936 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638112720 480542410 /nfs/dbraw/zinc/54/24/10/480542410.db2.gz KQFBOKQJFSIEBA-IBGZPJMESA-N 1 3 347.503 2.541 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3nccnc3c2)C1 ZINC000638135000 480560434 /nfs/dbraw/zinc/56/04/34/480560434.db2.gz RBDSUCIBZAKZBN-KRWDZBQOSA-N 1 3 328.460 2.563 20 0 EFADHO CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000635690392 480565817 /nfs/dbraw/zinc/56/58/17/480565817.db2.gz RVUGFVNVYGUWQU-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@@H](C)[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638153281 480571121 /nfs/dbraw/zinc/57/11/21/480571121.db2.gz QFWMTHSBOBKEIA-IEBWSBKVSA-N 1 3 325.541 2.538 20 0 EFADHO C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@H]1CCN1C1CCCCC1 ZINC000624077805 480598540 /nfs/dbraw/zinc/59/85/40/480598540.db2.gz CMNQRWPHBHMAPO-WOJBJXKFSA-N 1 3 335.536 2.626 20 0 EFADHO C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CCN1C1CCCCC1 ZINC000624077802 480598663 /nfs/dbraw/zinc/59/86/63/480598663.db2.gz CMNQRWPHBHMAPO-PMACEKPBSA-N 1 3 335.536 2.626 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000644843158 480606080 /nfs/dbraw/zinc/60/60/80/480606080.db2.gz XHCYMZUMDJNMFU-IBGZPJMESA-N 1 3 326.444 2.613 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000644843158 480606084 /nfs/dbraw/zinc/60/60/84/480606084.db2.gz XHCYMZUMDJNMFU-IBGZPJMESA-N 1 3 326.444 2.613 20 0 EFADHO CC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000638230102 480615712 /nfs/dbraw/zinc/61/57/12/480615712.db2.gz AAHGJMJUUAZZJN-CYBMUJFWSA-N 1 3 345.409 2.594 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119892 480619555 /nfs/dbraw/zinc/61/95/55/480619555.db2.gz LUEFUOQOTJRKIC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119892 480619560 /nfs/dbraw/zinc/61/95/60/480619560.db2.gz LUEFUOQOTJRKIC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119892 480619567 /nfs/dbraw/zinc/61/95/67/480619567.db2.gz LUEFUOQOTJRKIC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120650 480620724 /nfs/dbraw/zinc/62/07/24/480620724.db2.gz DLDOQHPNCNDPCZ-HBFSDRIKSA-N 1 3 330.520 2.614 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355042 480640391 /nfs/dbraw/zinc/64/03/91/480640391.db2.gz NOKBUKWJQIHASZ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355042 480640399 /nfs/dbraw/zinc/64/03/99/480640399.db2.gz NOKBUKWJQIHASZ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCN(CC)[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638286932 480644541 /nfs/dbraw/zinc/64/45/41/480644541.db2.gz PXDVYDSGMYAVCW-HXUWFJFHSA-N 1 3 347.547 2.894 20 0 EFADHO CO[C@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000638311721 480659286 /nfs/dbraw/zinc/65/92/86/480659286.db2.gz ATMBMSSTIUIMBU-VQTJNVASSA-N 1 3 332.488 2.814 20 0 EFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)[C@@H]([NH3+])CCC(C)C)cc1 ZINC000638315115 480662940 /nfs/dbraw/zinc/66/29/40/480662940.db2.gz LYWXLUVXSJJYAK-OALUTQOASA-N 1 3 347.503 2.712 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638358757 480682107 /nfs/dbraw/zinc/68/21/07/480682107.db2.gz CAZCRSBISNDKET-CTNGQTDRSA-N 1 3 345.531 2.912 20 0 EFADHO Cc1c([C@@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000635005169 480683550 /nfs/dbraw/zinc/68/35/50/480683550.db2.gz HFRMPWOOVUWVIJ-XNRPHZJLSA-N 1 3 331.439 2.883 20 0 EFADHO OC1(C(F)(F)F)CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000635007619 480684457 /nfs/dbraw/zinc/68/44/57/480684457.db2.gz FIBWAUSSUZLSGF-UHFFFAOYSA-N 1 3 328.378 2.658 20 0 EFADHO COc1ccc(C)cc1[C@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007712 480684520 /nfs/dbraw/zinc/68/45/20/480684520.db2.gz GNFHVOHQOMHGBG-HNNXBMFYSA-N 1 3 326.444 2.981 20 0 EFADHO C[C@@H](CCCc1cccnc1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008840 480684935 /nfs/dbraw/zinc/68/49/35/480684935.db2.gz FKQCIONNXKDWQO-INIZCTEOSA-N 1 3 325.460 2.710 20 0 EFADHO Fc1cncc([C@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CC2)c1 ZINC000635006681 480685117 /nfs/dbraw/zinc/68/51/17/480685117.db2.gz CHYVMNNMAYMDEE-GOSISDBHSA-N 1 3 327.407 2.589 20 0 EFADHO C[C@H](CCCc1cccnc1)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008841 480685181 /nfs/dbraw/zinc/68/51/81/480685181.db2.gz FKQCIONNXKDWQO-MRXNPFEDSA-N 1 3 325.460 2.710 20 0 EFADHO Fc1ccc2c(c1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCCO2 ZINC000635007998 480685497 /nfs/dbraw/zinc/68/54/97/480685497.db2.gz HVHMUVVYXTYQDJ-QGZVFWFLSA-N 1 3 342.418 2.956 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635009836 480686842 /nfs/dbraw/zinc/68/68/42/480686842.db2.gz HUDWFXKWQOYGQC-LMMKCTJWSA-N 1 3 330.520 2.660 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)CCOC1 ZINC000638365390 480686917 /nfs/dbraw/zinc/68/69/17/480686917.db2.gz BBIYRPVDNUXTSC-FXAWDEMLSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC000638365390 480686924 /nfs/dbraw/zinc/68/69/24/480686924.db2.gz BBIYRPVDNUXTSC-FXAWDEMLSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(-n2ccnc2)cc1 ZINC000635010230 480687136 /nfs/dbraw/zinc/68/71/36/480687136.db2.gz RDAXJBKBCCUFLA-MRXNPFEDSA-N 1 3 348.454 2.850 20 0 EFADHO Cc1c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cnn1C(C)C ZINC000635011184 480687184 /nfs/dbraw/zinc/68/71/84/480687184.db2.gz YBVWQJUPBWHTGP-CQSZACIVSA-N 1 3 328.464 2.750 20 0 EFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010669 480687388 /nfs/dbraw/zinc/68/73/88/480687388.db2.gz ULBDQYIUQKFBJR-AWEZNQCLSA-N 1 3 342.443 2.682 20 0 EFADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1Br ZINC000635012553 480689054 /nfs/dbraw/zinc/68/90/54/480689054.db2.gz NAAFTYWZCXLFTB-CORIIIEPSA-N 1 3 327.266 2.599 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901940 480696028 /nfs/dbraw/zinc/69/60/28/480696028.db2.gz BQSNCFYRZNCOLG-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901940 480696030 /nfs/dbraw/zinc/69/60/30/480696030.db2.gz BQSNCFYRZNCOLG-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc2c(c1)OCCO2 ZINC000638400120 480706063 /nfs/dbraw/zinc/70/60/63/480706063.db2.gz HHZJKRQFIHXEPI-QGZVFWFLSA-N 1 3 348.487 2.734 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC[C@@H](O)COCc2ccccc2)CC1 ZINC000624320406 480708572 /nfs/dbraw/zinc/70/85/72/480708572.db2.gz SLIPNSPEEUXSPR-LJQANCHMSA-N 1 3 334.504 2.807 20 0 EFADHO CC(C)(C)[NH+]1CCC(NCC[C@@H](O)COCc2ccccc2)CC1 ZINC000624320406 480708577 /nfs/dbraw/zinc/70/85/77/480708577.db2.gz SLIPNSPEEUXSPR-LJQANCHMSA-N 1 3 334.504 2.807 20 0 EFADHO Cn1cc(CCC[NH2+]CC2CCN(Cc3cccs3)CC2)cn1 ZINC000638456423 480734090 /nfs/dbraw/zinc/73/40/90/480734090.db2.gz JPZIAFLWKZVLRW-UHFFFAOYSA-N 1 3 332.517 2.916 20 0 EFADHO COc1cccc(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000638460015 480735760 /nfs/dbraw/zinc/73/57/60/480735760.db2.gz PLLHPLZAIIJOLQ-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO CCCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645199849 480740102 /nfs/dbraw/zinc/74/01/02/480740102.db2.gz VRPXKESTOJGWTE-SCTDSRPQSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C12CCC[NH+](CCC1)C2 ZINC000635139749 480744130 /nfs/dbraw/zinc/74/41/30/480744130.db2.gz WYTHNFXKJITSSV-LJQANCHMSA-N 1 3 341.499 2.816 20 0 EFADHO [NH3+][C@@H](CCC(=O)N1CCN(c2ccncc2)CC1)CC1CCCCC1 ZINC000645221767 480749240 /nfs/dbraw/zinc/74/92/40/480749240.db2.gz QHQFQLPWGOWAGA-SFHVURJKSA-N 1 3 344.503 2.808 20 0 EFADHO CCCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@@H]1CCN(C)C1 ZINC000645227874 480751419 /nfs/dbraw/zinc/75/14/19/480751419.db2.gz IBYWJUZFMDJAFX-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CCCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@@H]1CCN(C)C1 ZINC000645227874 480751426 /nfs/dbraw/zinc/75/14/26/480751426.db2.gz IBYWJUZFMDJAFX-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506756 480758225 /nfs/dbraw/zinc/75/82/25/480758225.db2.gz YPALFGALSHJIEU-INIZCTEOSA-N 1 3 327.428 2.509 20 0 EFADHO CCCN(C(=O)NCCCCC[NH+]1CCCCC1)[C@H]1CCN(C)C1 ZINC000645307522 480787465 /nfs/dbraw/zinc/78/74/65/480787465.db2.gz AFCQBWUZEAMLIA-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3C[C@H](OC(C)(C)C)C34CCC4)C2)CC1 ZINC000638586182 480788076 /nfs/dbraw/zinc/78/80/76/480788076.db2.gz KLVVSVMXMRXKAU-WDSOQIARSA-N 1 3 349.563 2.871 20 0 EFADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCN1C1CCCC1 ZINC000635254363 480792751 /nfs/dbraw/zinc/79/27/51/480792751.db2.gz UWWSWBNXYFPKEH-HXUWFJFHSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCN1C1CCCC1 ZINC000635254363 480792756 /nfs/dbraw/zinc/79/27/56/480792756.db2.gz UWWSWBNXYFPKEH-HXUWFJFHSA-N 1 3 341.499 2.568 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[NH+]2CCCCCC2)CCOC1 ZINC000638610324 480797557 /nfs/dbraw/zinc/79/75/57/480797557.db2.gz OYWNPXHYJINZAO-FQEVSTJZSA-N 1 3 332.488 2.958 20 0 EFADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000632922672 480799248 /nfs/dbraw/zinc/79/92/48/480799248.db2.gz IROXYGXZUDZRGD-JKSUJKDBSA-N 1 3 346.475 2.505 20 0 EFADHO CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CCN(C)C1 ZINC000645336413 480799641 /nfs/dbraw/zinc/79/96/41/480799641.db2.gz BXYHIZRUSQCAQU-QGZVFWFLSA-N 1 3 326.529 2.621 20 0 EFADHO COC[C@H](CCO)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638651595 480813207 /nfs/dbraw/zinc/81/32/07/480813207.db2.gz XZFCKVPYYQTPPQ-FPOVZHCZSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@H](CCO)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638651595 480813212 /nfs/dbraw/zinc/81/32/12/480813212.db2.gz XZFCKVPYYQTPPQ-FPOVZHCZSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@H](CCO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638651595 480813217 /nfs/dbraw/zinc/81/32/17/480813217.db2.gz XZFCKVPYYQTPPQ-FPOVZHCZSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635329318 480823618 /nfs/dbraw/zinc/82/36/18/480823618.db2.gz ADAYXZRXAJTGOT-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635329316 480823661 /nfs/dbraw/zinc/82/36/61/480823661.db2.gz ADAYXZRXAJTGOT-LMMKCTJWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccc(Cl)cc1 ZINC000638696868 480832921 /nfs/dbraw/zinc/83/29/21/480832921.db2.gz FFQVSKANVITLFR-AWEZNQCLSA-N 1 3 340.895 2.932 20 0 EFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638713106 480838902 /nfs/dbraw/zinc/83/89/02/480838902.db2.gz VHMHSPRDAWDDGC-TZIWHRDSSA-N 1 3 345.531 2.912 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000633010796 480846287 /nfs/dbraw/zinc/84/62/87/480846287.db2.gz ZYWGRQZXOXSLNL-QZTJIDSGSA-N 1 3 344.503 2.610 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638745813 480849936 /nfs/dbraw/zinc/84/99/36/480849936.db2.gz BEFXZXAYTUNJDD-BJLQDIEVSA-N 1 3 341.499 2.955 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638745813 480849942 /nfs/dbraw/zinc/84/99/42/480849942.db2.gz BEFXZXAYTUNJDD-BJLQDIEVSA-N 1 3 341.499 2.955 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000645477380 480859353 /nfs/dbraw/zinc/85/93/53/480859353.db2.gz ODZXGPZGXRUZEL-UYAOXDASSA-N 1 3 343.515 2.717 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000633098865 480880690 /nfs/dbraw/zinc/88/06/90/480880690.db2.gz GLCZNPHMGUNQBL-DLBZAZTESA-N 1 3 348.535 2.662 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000633098866 480881182 /nfs/dbraw/zinc/88/11/82/480881182.db2.gz GLCZNPHMGUNQBL-IAGOWNOFSA-N 1 3 348.535 2.662 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829086 480886961 /nfs/dbraw/zinc/88/69/61/480886961.db2.gz IQQZIPUAGLJZOB-IUODEOHRSA-N 1 3 345.409 2.812 20 0 EFADHO CC(C)[NH2+]CCC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831430 480887945 /nfs/dbraw/zinc/88/79/45/480887945.db2.gz LFIPCDVMDZZDFH-OAHLLOKOSA-N 1 3 345.409 2.812 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850326 480894782 /nfs/dbraw/zinc/89/47/82/480894782.db2.gz DGJSNIRKNAUZJL-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851580 480895642 /nfs/dbraw/zinc/89/56/42/480895642.db2.gz KFXBMUYKHXLSOO-APWZRJJASA-N 1 3 349.478 2.788 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851580 480895646 /nfs/dbraw/zinc/89/56/46/480895646.db2.gz KFXBMUYKHXLSOO-APWZRJJASA-N 1 3 349.478 2.788 20 0 EFADHO Cc1ccc([C@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)N2CCCC2)o1 ZINC000638859690 480899753 /nfs/dbraw/zinc/89/97/53/480899753.db2.gz QTGVGUSTJGHNPY-SFHVURJKSA-N 1 3 349.519 2.550 20 0 EFADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000638858704 480900115 /nfs/dbraw/zinc/90/01/15/480900115.db2.gz BEOGXCLOLHQAQE-WMZOPIPTSA-N 1 3 329.488 2.799 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000645682982 480914001 /nfs/dbraw/zinc/91/40/01/480914001.db2.gz ASPGAELBWUWZOZ-QZTJIDSGSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000645693192 480915972 /nfs/dbraw/zinc/91/59/72/480915972.db2.gz KAUPAHPXJANVJF-GEALJGNFSA-N 1 3 341.499 2.574 20 0 EFADHO C[N@@H+]1C[C@H](C(=O)N2CCCN(C(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000624869361 480916614 /nfs/dbraw/zinc/91/66/14/480916614.db2.gz IOVPQAJYIFJVJD-MOPGFXCFSA-N 1 3 343.515 2.665 20 0 EFADHO C[N@H+]1C[C@H](C(=O)N2CCCN(C(C)(C)C)CC2)[C@@H](c2ccccc2)C1 ZINC000624869361 480916617 /nfs/dbraw/zinc/91/66/17/480916617.db2.gz IOVPQAJYIFJVJD-MOPGFXCFSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)cc1 ZINC000639001872 480927763 /nfs/dbraw/zinc/92/77/63/480927763.db2.gz QCZSYQVRPKFQDP-LJQANCHMSA-N 1 3 337.467 2.501 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000639002140 480928373 /nfs/dbraw/zinc/92/83/73/480928373.db2.gz XOSXQXDAHKKOAW-TZIWHRDSSA-N 1 3 349.478 2.920 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000639002138 480928493 /nfs/dbraw/zinc/92/84/93/480928493.db2.gz XOSXQXDAHKKOAW-FPOVZHCZSA-N 1 3 349.478 2.920 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000639042330 480934414 /nfs/dbraw/zinc/93/44/14/480934414.db2.gz LODJGTHZWZDUTQ-VDGAXYAQSA-N 1 3 343.515 2.716 20 0 EFADHO COc1cccc(C)c1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000639043854 480934748 /nfs/dbraw/zinc/93/47/48/480934748.db2.gz BDTFAVBFNXJMGY-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO C[C@@H]([NH3+])CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000641504013 480939320 /nfs/dbraw/zinc/93/93/20/480939320.db2.gz ATJXHQOOMALFOY-QGZVFWFLSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)C ZINC000639092587 480947916 /nfs/dbraw/zinc/94/79/16/480947916.db2.gz XLUQRXHLTAYIFO-PXNSSMCTSA-N 1 3 347.547 2.811 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC1CC[NH+](CC(C)(C)O)CC1)N(C)C ZINC000639092587 480947919 /nfs/dbraw/zinc/94/79/19/480947919.db2.gz XLUQRXHLTAYIFO-PXNSSMCTSA-N 1 3 347.547 2.811 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000647500440 480968533 /nfs/dbraw/zinc/96/85/33/480968533.db2.gz ODXOYURPGPBFJI-UHFFFAOYSA-N 1 3 331.504 2.591 20 0 EFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000647542070 480989822 /nfs/dbraw/zinc/98/98/22/480989822.db2.gz PIUCTFLYJHACTI-MRXNPFEDSA-N 1 3 328.460 2.810 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1OC ZINC000647542920 480990207 /nfs/dbraw/zinc/99/02/07/480990207.db2.gz DROFDHCRUMJUGY-SJORKVTESA-N 1 3 348.487 2.924 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000647542581 480990463 /nfs/dbraw/zinc/99/04/63/480990463.db2.gz RJZVPOUDFYHIOU-UHFFFAOYSA-N 1 3 326.444 2.661 20 0 EFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1OC ZINC000647543340 480992891 /nfs/dbraw/zinc/99/28/91/480992891.db2.gz LFAFIPSQYCVRIR-JKSUJKDBSA-N 1 3 348.487 2.924 20 0 EFADHO Cn1c2ccc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc2sc1=O ZINC000647544047 480993632 /nfs/dbraw/zinc/99/36/32/480993632.db2.gz VUXLBAJSFUNGAH-HZPDHXFCSA-N 1 3 345.512 2.812 20 0 EFADHO FC(F)(F)COc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549516 480995917 /nfs/dbraw/zinc/99/59/17/480995917.db2.gz FIBFATUDPXRWLA-MRVWCRGKSA-N 1 3 329.366 2.500 20 0 EFADHO CC1(C)CN[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000645982296 481001821 /nfs/dbraw/zinc/00/18/21/481001821.db2.gz CCBRESXTLYERSD-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO CCCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658476 481014308 /nfs/dbraw/zinc/01/43/08/481014308.db2.gz GWSWHRJGBYADNO-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658476 481014314 /nfs/dbraw/zinc/01/43/14/481014314.db2.gz GWSWHRJGBYADNO-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000666659795 481015193 /nfs/dbraw/zinc/01/51/93/481015193.db2.gz FHVZMCATEPUNFX-XLIONFOSSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000666659795 481015203 /nfs/dbraw/zinc/01/52/03/481015203.db2.gz FHVZMCATEPUNFX-XLIONFOSSA-N 1 3 348.535 2.521 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000664110384 481027558 /nfs/dbraw/zinc/02/75/58/481027558.db2.gz WHVVCBISFHZVBJ-WMZOPIPTSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+](C)C ZINC000664127634 481039269 /nfs/dbraw/zinc/03/92/69/481039269.db2.gz VLZZFFYCJPTKEY-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C/C=C/C[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641748294 481049313 /nfs/dbraw/zinc/04/93/13/481049313.db2.gz PWQZTWSTUVESTP-SHCNBLLESA-N 1 3 331.504 2.634 20 0 EFADHO C/C=C/C[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641748294 481049318 /nfs/dbraw/zinc/04/93/18/481049318.db2.gz PWQZTWSTUVESTP-SHCNBLLESA-N 1 3 331.504 2.634 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641755339 481052811 /nfs/dbraw/zinc/05/28/11/481052811.db2.gz WJVRZNMWYIOKLD-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)[C@H]1CCO)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500713 481075029 /nfs/dbraw/zinc/07/50/29/481075029.db2.gz UGVDDOFLYJCGES-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)[C@H]1CCO)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500713 481075031 /nfs/dbraw/zinc/07/50/31/481075031.db2.gz UGVDDOFLYJCGES-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661500713 481075038 /nfs/dbraw/zinc/07/50/38/481075038.db2.gz UGVDDOFLYJCGES-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661500713 481075044 /nfs/dbraw/zinc/07/50/44/481075044.db2.gz UGVDDOFLYJCGES-NCQGUEQISA-N 1 3 340.552 2.588 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653107869 481083123 /nfs/dbraw/zinc/08/31/23/481083123.db2.gz AAWJARYHRWIOJG-WOJBJXKFSA-N 1 3 341.499 2.606 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C[C@@H]1C ZINC000666758509 481084308 /nfs/dbraw/zinc/08/43/08/481084308.db2.gz UDLGKJGZKMHLQX-BZSNNMDCSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C[C@@H]1C ZINC000666758509 481084317 /nfs/dbraw/zinc/08/43/17/481084317.db2.gz UDLGKJGZKMHLQX-BZSNNMDCSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000666759637 481085061 /nfs/dbraw/zinc/08/50/61/481085061.db2.gz HEOYXHNSCVQTDX-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000666759637 481085068 /nfs/dbraw/zinc/08/50/68/481085068.db2.gz HEOYXHNSCVQTDX-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653112236 481087172 /nfs/dbraw/zinc/08/71/72/481087172.db2.gz RRNXNYZRVNFGDD-UXHICEINSA-N 1 3 343.515 2.966 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000641801177 481088722 /nfs/dbraw/zinc/08/87/22/481088722.db2.gz AWBCGIVYRIZTLQ-CHWSQXEVSA-N 1 3 331.229 2.682 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@@H]3C[C@@H]([NH3+])C3(C)C)n2)cc1F ZINC000641808923 481092583 /nfs/dbraw/zinc/09/25/83/481092583.db2.gz UZKHWZNFVUFWHY-HUUCEWRRSA-N 1 3 332.423 2.832 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@H]3C[C@H]([NH3+])C3(C)C)n2)cc1F ZINC000641808922 481093167 /nfs/dbraw/zinc/09/31/67/481093167.db2.gz UZKHWZNFVUFWHY-GJZGRUSLSA-N 1 3 332.423 2.832 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000653129096 481097638 /nfs/dbraw/zinc/09/76/38/481097638.db2.gz QBHJOONHXMWSMZ-ZIAGYGMSSA-N 1 3 346.349 2.710 20 0 EFADHO NCc1cc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc(C(F)(F)F)c1 ZINC000653136650 481102849 /nfs/dbraw/zinc/10/28/49/481102849.db2.gz ZAQSMILVTQXCOF-ZIAGYGMSSA-N 1 3 327.350 2.633 20 0 EFADHO c1cn(CCCc2ccccc2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788776 481106998 /nfs/dbraw/zinc/10/69/98/481106998.db2.gz QQAGANBOSKCVNF-VAMGGRTRSA-N 1 3 338.499 2.994 20 0 EFADHO c1ccc(-n2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c3c2CCC3)cc1 ZINC000647791837 481108470 /nfs/dbraw/zinc/10/84/70/481108470.db2.gz OCBNJQGYGAGXGN-GVDBMIGSSA-N 1 3 336.483 2.839 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cn1 ZINC000647795054 481109708 /nfs/dbraw/zinc/10/97/08/481109708.db2.gz IPQYWDXDGXKKQT-OSGQAZFXSA-N 1 3 328.435 2.626 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420457 481110648 /nfs/dbraw/zinc/11/06/48/481110648.db2.gz MLEBTASRGSKNTK-OALUTQOASA-N 1 3 346.519 2.715 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653156026 481114074 /nfs/dbraw/zinc/11/40/74/481114074.db2.gz PAENQZNRYKSXRU-KRWDZBQOSA-N 1 3 344.503 2.545 20 0 EFADHO Nc1c(F)cccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000639309512 481116149 /nfs/dbraw/zinc/11/61/49/481116149.db2.gz BVMKWAFFORCTDY-UHFFFAOYSA-N 1 3 328.435 2.805 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000669427455 481117253 /nfs/dbraw/zinc/11/72/53/481117253.db2.gz HGVMUAPRSXUJFV-RBUKOAKNSA-N 1 3 344.503 2.573 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000653168795 481123440 /nfs/dbraw/zinc/12/34/40/481123440.db2.gz QIFLTIQHMZKKAG-PKOBYXMFSA-N 1 3 344.503 2.664 20 0 EFADHO c1ccc(-c2noc(CCC[N@H+](C3CC3)C3CCNCC3)n2)cc1 ZINC000647814613 481123682 /nfs/dbraw/zinc/12/36/82/481123682.db2.gz VYJYVCVZXRWDDH-UHFFFAOYSA-N 1 3 326.444 2.886 20 0 EFADHO c1ccc(-c2noc(CCC[N@@H+](C3CC3)C3CCNCC3)n2)cc1 ZINC000647814613 481123688 /nfs/dbraw/zinc/12/36/88/481123688.db2.gz VYJYVCVZXRWDDH-UHFFFAOYSA-N 1 3 326.444 2.886 20 0 EFADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000647831029 481129768 /nfs/dbraw/zinc/12/97/68/481129768.db2.gz FNCZZNYFZRKGMP-SZVBFZGTSA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)N(C[C@@H](O)COc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000647872314 481149738 /nfs/dbraw/zinc/14/97/38/481149738.db2.gz USOVOUBRLISFPV-PKOBYXMFSA-N 1 3 342.483 2.899 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)[C@@H](C)CN1 ZINC000669483720 481150422 /nfs/dbraw/zinc/15/04/22/481150422.db2.gz JWENQQYNTYXOLF-ZIFCJYIRSA-N 1 3 344.503 2.605 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483694 481150619 /nfs/dbraw/zinc/15/06/19/481150619.db2.gz IFEREKZQVYZVDC-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[NH2+]1 ZINC000669483656 481151164 /nfs/dbraw/zinc/15/11/64/481151164.db2.gz GENMTHOHOCRGKX-QRQLOZEOSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CCC[NH2+]CC1 ZINC000666858044 481151813 /nfs/dbraw/zinc/15/18/13/481151813.db2.gz USUMPAIFPNLGAO-PBHICJAKSA-N 1 3 337.895 2.809 20 0 EFADHO [NH3+]CC1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669483895 481152014 /nfs/dbraw/zinc/15/20/14/481152014.db2.gz RBJWMWXNXCNSKY-LJQANCHMSA-N 1 3 344.503 2.594 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483984 481152517 /nfs/dbraw/zinc/15/25/17/481152517.db2.gz WTOUYJSLPHVUJI-MOPGFXCFSA-N 1 3 346.519 2.886 20 0 EFADHO CC1(C)CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCN1 ZINC000669483930 481152695 /nfs/dbraw/zinc/15/26/95/481152695.db2.gz SWJUOCDYCNKRLP-GOSISDBHSA-N 1 3 344.503 2.607 20 0 EFADHO CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)C[C@@H]1CC[NH2+]C1 ZINC000647881238 481152884 /nfs/dbraw/zinc/15/28/84/481152884.db2.gz YASXYKNUWYQKHD-OAHLLOKOSA-N 1 3 330.451 2.700 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000669483756 481153351 /nfs/dbraw/zinc/15/33/51/481153351.db2.gz LEZXSEGHZRKLAH-RBUKOAKNSA-N 1 3 344.503 2.655 20 0 EFADHO CC1(C)CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCN1 ZINC000669483931 481153418 /nfs/dbraw/zinc/15/34/18/481153418.db2.gz SWJUOCDYCNKRLP-SFHVURJKSA-N 1 3 344.503 2.607 20 0 EFADHO O=C1CC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]2N1 ZINC000661595772 481154560 /nfs/dbraw/zinc/15/45/60/481154560.db2.gz DWTFGDVEDCXLCO-UXHICEINSA-N 1 3 341.499 2.773 20 0 EFADHO O=C1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1 ZINC000661598922 481157220 /nfs/dbraw/zinc/15/72/20/481157220.db2.gz YKHFYIWCEJJBRJ-UXHICEINSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000659016985 481163187 /nfs/dbraw/zinc/16/31/87/481163187.db2.gz CIQHKKUHWQOFBP-AWEZNQCLSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000659016985 481163189 /nfs/dbraw/zinc/16/31/89/481163189.db2.gz CIQHKKUHWQOFBP-AWEZNQCLSA-N 1 3 330.476 2.574 20 0 EFADHO CCCN1CC[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000659021642 481168322 /nfs/dbraw/zinc/16/83/22/481168322.db2.gz KAMJGMYLQCOXOX-CYBMUJFWSA-N 1 3 344.381 2.770 20 0 EFADHO COc1ccccc1[C@H](N)CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000669508760 481169400 /nfs/dbraw/zinc/16/94/00/481169400.db2.gz NWRMCZHLFAAXCD-AEFFLSMTSA-N 1 3 341.455 2.537 20 0 EFADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000664320975 481175911 /nfs/dbraw/zinc/17/59/11/481175911.db2.gz AXTHUVDYUARJAE-ZIFCJYIRSA-N 1 3 346.519 2.536 20 0 EFADHO N[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)Cc1ccccc1 ZINC000669521356 481177458 /nfs/dbraw/zinc/17/74/58/481177458.db2.gz UHPZDKNQBQUNNX-HNNXBMFYSA-N 1 3 344.484 2.509 20 0 EFADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCCCN1 ZINC000653253354 481181226 /nfs/dbraw/zinc/18/12/26/481181226.db2.gz QUMIDUSNVANNSR-KRWDZBQOSA-N 1 3 333.501 2.955 20 0 EFADHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)[NH3+] ZINC000646253994 481183824 /nfs/dbraw/zinc/18/38/24/481183824.db2.gz HGJXJVKKAKWDEB-UHFFFAOYSA-N 1 3 345.409 2.723 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000669530017 481185502 /nfs/dbraw/zinc/18/55/02/481185502.db2.gz NUAIQOZBEFGHEE-ROUUACIJSA-N 1 3 332.492 2.640 20 0 EFADHO CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000647937951 481197511 /nfs/dbraw/zinc/19/75/11/481197511.db2.gz FMYGWTWGVMPGRX-AYOQOUSVSA-N 1 3 329.488 2.630 20 0 EFADHO CC(C)[NH2+]CCC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000646282895 481202716 /nfs/dbraw/zinc/20/27/16/481202716.db2.gz YGPYVJGINSFKIK-UHFFFAOYSA-N 1 3 332.492 2.544 20 0 EFADHO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000646287897 481206236 /nfs/dbraw/zinc/20/62/36/481206236.db2.gz LUZNYDNSEMAEPT-FQEVSTJZSA-N 1 3 334.504 2.858 20 0 EFADHO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000646287897 481206244 /nfs/dbraw/zinc/20/62/44/481206244.db2.gz LUZNYDNSEMAEPT-FQEVSTJZSA-N 1 3 334.504 2.858 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669562529 481208744 /nfs/dbraw/zinc/20/87/44/481208744.db2.gz DMCUWINIBMBBHE-OALUTQOASA-N 1 3 346.519 2.584 20 0 EFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H]1CC12CC[NH2+]CC2 ZINC000666950870 481215700 /nfs/dbraw/zinc/21/57/00/481215700.db2.gz OBPDZDILGOTPQR-SFHVURJKSA-N 1 3 328.435 2.860 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965618 481217827 /nfs/dbraw/zinc/21/78/27/481217827.db2.gz CNTYEHSPMVTWIY-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965618 481217829 /nfs/dbraw/zinc/21/78/29/481217829.db2.gz CNTYEHSPMVTWIY-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965618 481217834 /nfs/dbraw/zinc/21/78/34/481217834.db2.gz CNTYEHSPMVTWIY-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965618 481217835 /nfs/dbraw/zinc/21/78/35/481217835.db2.gz CNTYEHSPMVTWIY-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975145 481225309 /nfs/dbraw/zinc/22/53/09/481225309.db2.gz MRNSVXMAGVLGDM-QRQLOZEOSA-N 1 3 341.499 2.676 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1cccc(Cl)c1 ZINC000647974888 481225329 /nfs/dbraw/zinc/22/53/29/481225329.db2.gz AMVYLONNIYGXLM-DLBZAZTESA-N 1 3 349.906 2.668 20 0 EFADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975142 481225894 /nfs/dbraw/zinc/22/58/94/481225894.db2.gz MRNSVXMAGVLGDM-BHIYHBOVSA-N 1 3 341.499 2.676 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975510 481228778 /nfs/dbraw/zinc/22/87/78/481228778.db2.gz BFWQUJQUBPPTIM-BJLQDIEVSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000669587515 481228755 /nfs/dbraw/zinc/22/87/55/481228755.db2.gz RJCCJJGWVWAYJQ-SJLPKXTDSA-N 1 3 344.503 2.610 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000647976865 481230092 /nfs/dbraw/zinc/23/00/92/481230092.db2.gz VJAHYKIWYVSKFU-ZHALLVOQSA-N 1 3 327.472 2.504 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976073 481230469 /nfs/dbraw/zinc/23/04/69/481230469.db2.gz JSNFQHITKZJERG-ZSYWTGECSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976072 481230992 /nfs/dbraw/zinc/23/09/92/481230992.db2.gz JSNFQHITKZJERG-WJFTUGDTSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976576 481231220 /nfs/dbraw/zinc/23/12/20/481231220.db2.gz QILONNZZCDISDQ-GVDBMIGSSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975985 481231614 /nfs/dbraw/zinc/23/16/14/481231614.db2.gz IKRLPAFXONLCKH-PMPSAXMXSA-N 1 3 333.451 2.864 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976789 481231676 /nfs/dbraw/zinc/23/16/76/481231676.db2.gz UKCYDIDGHXKYIJ-RLLQIKCJSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976350 481231998 /nfs/dbraw/zinc/23/19/98/481231998.db2.gz NHXKKSHQIIGFPR-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)on2)cnn1C ZINC000647978586 481232995 /nfs/dbraw/zinc/23/29/95/481232995.db2.gz VBKRWDYSWZRJSV-HZPDHXFCSA-N 1 3 343.475 2.595 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977666 481233290 /nfs/dbraw/zinc/23/32/90/481233290.db2.gz FXHFTAMXEXKMIZ-OLZOCXBDSA-N 1 3 326.378 2.615 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000647977796 481233512 /nfs/dbraw/zinc/23/35/12/481233512.db2.gz HRHKBSBWFKWNOJ-SJORKVTESA-N 1 3 333.520 2.632 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000647977978 481233862 /nfs/dbraw/zinc/23/38/62/481233862.db2.gz KMTUNSGWIQFMQT-QWFCFKBJSA-N 1 3 341.499 2.894 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)on2)cnn1C ZINC000647978584 481234355 /nfs/dbraw/zinc/23/43/55/481234355.db2.gz VBKRWDYSWZRJSV-CVEARBPZSA-N 1 3 343.475 2.595 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977741 481234532 /nfs/dbraw/zinc/23/45/32/481234532.db2.gz GZGIAYZRHMQPQF-HCXYKTFWSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647977193 481235042 /nfs/dbraw/zinc/23/50/42/481235042.db2.gz YYSCYCWSYXDUHF-ZULIPRJHSA-N 1 3 343.515 2.964 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000646379951 481263097 /nfs/dbraw/zinc/26/30/97/481263097.db2.gz WAHDHNWQTNYHKW-OALUTQOASA-N 1 3 329.488 2.600 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nccc3ccccc32)CC1 ZINC000667041737 481272552 /nfs/dbraw/zinc/27/25/52/481272552.db2.gz MIHNVTXFBSLDLG-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650705534 481273788 /nfs/dbraw/zinc/27/37/88/481273788.db2.gz KVKVYFUKEFIKSF-LNLFQRSKSA-N 1 3 348.487 2.812 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000664476921 481276410 /nfs/dbraw/zinc/27/64/10/481276410.db2.gz XUPOPFKFXPSXNG-UHFFFAOYSA-N 1 3 344.503 2.992 20 0 EFADHO COc1ccccc1/C=C/CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706084 481276824 /nfs/dbraw/zinc/27/68/24/481276824.db2.gz CXKMQZLITRTYEJ-KMKKLIKXSA-N 1 3 330.472 2.927 20 0 EFADHO COc1cc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650707997 481277893 /nfs/dbraw/zinc/27/78/93/481277893.db2.gz RHLUGEAWTAQUQU-RYQLBKOJSA-N 1 3 348.487 2.731 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000650708289 481277935 /nfs/dbraw/zinc/27/79/35/481277935.db2.gz WZWLTSVUTQRAQD-LESCRADOSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707514 481278425 /nfs/dbraw/zinc/27/84/25/481278425.db2.gz HQMFUBSRNCZFPY-LNLFQRSKSA-N 1 3 348.535 2.973 20 0 EFADHO O=C(CC1CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646410175 481279958 /nfs/dbraw/zinc/27/99/58/481279958.db2.gz VREPIGFREJSNIO-IBGZPJMESA-N 1 3 329.488 2.720 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646410237 481280057 /nfs/dbraw/zinc/28/00/57/481280057.db2.gz ZJOSGAORTKKZOL-RBUKOAKNSA-N 1 3 341.499 2.720 20 0 EFADHO Cc1ccc2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)n2c1 ZINC000650723045 481292830 /nfs/dbraw/zinc/29/28/30/481292830.db2.gz GQQAIQSZAWDIHK-NXHRZFHOSA-N 1 3 328.460 2.504 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650725068 481294185 /nfs/dbraw/zinc/29/41/85/481294185.db2.gz SNWCHGLXEUNKRH-OTWHNJEPSA-N 1 3 346.519 2.787 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643208144 481338192 /nfs/dbraw/zinc/33/81/92/481338192.db2.gz GLBRCCFLQYBXGH-HKUYNNGSSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000643208144 481338198 /nfs/dbraw/zinc/33/81/98/481338198.db2.gz GLBRCCFLQYBXGH-HKUYNNGSSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659287445 481338499 /nfs/dbraw/zinc/33/84/99/481338499.db2.gz OKUFKZNHPSLIAY-WMZOPIPTSA-N 1 3 341.499 2.817 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000659287445 481338504 /nfs/dbraw/zinc/33/85/04/481338504.db2.gz OKUFKZNHPSLIAY-WMZOPIPTSA-N 1 3 341.499 2.817 20 0 EFADHO O=C([C@H]1CCC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153220 481345901 /nfs/dbraw/zinc/34/59/01/481345901.db2.gz XTZULLFNLCQQBW-QGZVFWFLSA-N 1 3 335.879 2.516 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648151530 481346464 /nfs/dbraw/zinc/34/64/64/481346464.db2.gz OHUYGYADZHOSSM-WBVHZDCISA-N 1 3 337.895 2.605 20 0 EFADHO Cc1nc2ccccc2c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1C ZINC000664598779 481358621 /nfs/dbraw/zinc/35/86/21/481358621.db2.gz JTVOHTHCMCDHIW-KRWDZBQOSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1nc2ccccc2c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1C ZINC000664598779 481358628 /nfs/dbraw/zinc/35/86/28/481358628.db2.gz JTVOHTHCMCDHIW-KRWDZBQOSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664599189 481360590 /nfs/dbraw/zinc/36/05/90/481360590.db2.gz LJMZIJWVAIPJFP-QGZVFWFLSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664599189 481360596 /nfs/dbraw/zinc/36/05/96/481360596.db2.gz LJMZIJWVAIPJFP-QGZVFWFLSA-N 1 3 325.456 2.887 20 0 EFADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659364843 481385311 /nfs/dbraw/zinc/38/53/11/481385311.db2.gz RPCPIEWDBJNWBE-RTBURBONSA-N 1 3 337.423 2.521 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccccc3C)CC2)CC1 ZINC000646583951 481390945 /nfs/dbraw/zinc/39/09/45/481390945.db2.gz CTEKHVLKKVPDNY-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000667195799 481391843 /nfs/dbraw/zinc/39/18/43/481391843.db2.gz GYRCQMZSQVBAIT-SJLPKXTDSA-N 1 3 330.476 2.841 20 0 EFADHO CCCN1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000667195798 481392034 /nfs/dbraw/zinc/39/20/34/481392034.db2.gz GYRCQMZSQVBAIT-FUHWJXTLSA-N 1 3 330.476 2.841 20 0 EFADHO O[C@]1(CN2CC[C@@H](c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639645291 481393302 /nfs/dbraw/zinc/39/33/02/481393302.db2.gz GOCRMUCFVMJSOI-RTWAWAEBSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@]1(CN2CC[C@@H](c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639645291 481393309 /nfs/dbraw/zinc/39/33/09/481393309.db2.gz GOCRMUCFVMJSOI-RTWAWAEBSA-N 1 3 337.467 2.508 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC)c3F)CC2)CC1 ZINC000643295959 481393851 /nfs/dbraw/zinc/39/38/51/481393851.db2.gz ZWVNHRGGDHLUMY-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO c1cnn(-c2ccc(C[N@@H+]3CCCN(c4ccncc4)CC3)cc2)c1 ZINC000639681746 481422341 /nfs/dbraw/zinc/42/23/41/481422341.db2.gz DODOLYKWHZIRCV-UHFFFAOYSA-N 1 3 333.439 2.980 20 0 EFADHO c1cnn(-c2ccc(C[N@H+]3CCCN(c4ccncc4)CC3)cc2)c1 ZINC000639681746 481422346 /nfs/dbraw/zinc/42/23/46/481422346.db2.gz DODOLYKWHZIRCV-UHFFFAOYSA-N 1 3 333.439 2.980 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646678900 481430763 /nfs/dbraw/zinc/43/07/63/481430763.db2.gz HROAJGZIWMRETQ-AZUAARDMSA-N 1 3 343.515 2.714 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000659434830 481432622 /nfs/dbraw/zinc/43/26/22/481432622.db2.gz COPJLYKZOCYDAR-NZSAHSFTSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659443274 481440361 /nfs/dbraw/zinc/44/03/61/481440361.db2.gz YRGZLUHKYVMKOG-NEPXVJNWSA-N 1 3 344.503 2.591 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000661954265 481444541 /nfs/dbraw/zinc/44/45/41/481444541.db2.gz VFQSPCIUHVHBDO-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659454753 481446430 /nfs/dbraw/zinc/44/64/30/481446430.db2.gz NQYGEFBCDPHLAS-OAHLLOKOSA-N 1 3 332.492 2.687 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000659455692 481447658 /nfs/dbraw/zinc/44/76/58/481447658.db2.gz CFDMNCDOURHZJU-QGZVFWFLSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659481417 481462526 /nfs/dbraw/zinc/46/25/26/481462526.db2.gz HIEOUXIPJUOXMW-QGZVFWFLSA-N 1 3 334.508 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659481416 481462670 /nfs/dbraw/zinc/46/26/70/481462670.db2.gz HIEOUXIPJUOXMW-KRWDZBQOSA-N 1 3 334.508 2.522 20 0 EFADHO O=C1CC[C@@H](CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)N1 ZINC000639726902 481463229 /nfs/dbraw/zinc/46/32/29/481463229.db2.gz QIVZZXTXJLOUFK-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659492612 481468604 /nfs/dbraw/zinc/46/86/04/481468604.db2.gz ICJIKMMXTMESBE-SFHVURJKSA-N 1 3 348.535 2.867 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH2+]C)N(CC)CC)cc1 ZINC000659495121 481471541 /nfs/dbraw/zinc/47/15/41/481471541.db2.gz IVZBSAHSMXXCEX-YJBOKZPZSA-N 1 3 334.508 2.539 20 0 EFADHO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000643452035 481473861 /nfs/dbraw/zinc/47/38/61/481473861.db2.gz PTIASGXNURTGDF-BBRMVZONSA-N 1 3 327.428 2.512 20 0 EFADHO COc1ccc([C@H](N[C@H]2CCN(CC3CC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000643462737 481478766 /nfs/dbraw/zinc/47/87/66/481478766.db2.gz JIGRLRJEFNEOSZ-SXLOBPIMSA-N 1 3 329.488 2.562 20 0 EFADHO O=C(C1CCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000643463276 481478910 /nfs/dbraw/zinc/47/89/10/481478910.db2.gz QTFHVCBCTJIJEO-WJFTUGDTSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000643460949 481479101 /nfs/dbraw/zinc/47/91/01/481479101.db2.gz RNGQRHUDPUTNDF-KXBFYZLASA-N 1 3 338.455 2.812 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637367085 481484362 /nfs/dbraw/zinc/48/43/62/481484362.db2.gz IKFBEWQRVBBSJV-NEWSRXKRSA-N 1 3 348.535 2.662 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369332 481487428 /nfs/dbraw/zinc/48/74/28/481487428.db2.gz YDWJEVHWDVXXLJ-UYAOXDASSA-N 1 3 348.535 2.521 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369332 481487435 /nfs/dbraw/zinc/48/74/35/481487435.db2.gz YDWJEVHWDVXXLJ-UYAOXDASSA-N 1 3 348.535 2.521 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCC3)CC[C@H]21 ZINC000637374539 481490527 /nfs/dbraw/zinc/49/05/27/481490527.db2.gz XXZFRCDMDBGYAZ-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCC3)CC[C@H]21 ZINC000637374539 481490531 /nfs/dbraw/zinc/49/05/31/481490531.db2.gz XXZFRCDMDBGYAZ-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000643523418 481497344 /nfs/dbraw/zinc/49/73/44/481497344.db2.gz BVXIOYPCYWTRPD-ZDUSSCGKSA-N 1 3 327.403 2.936 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000643523418 481497350 /nfs/dbraw/zinc/49/73/50/481497350.db2.gz BVXIOYPCYWTRPD-ZDUSSCGKSA-N 1 3 327.403 2.936 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH3+])CCCC1 ZINC000659570271 481497987 /nfs/dbraw/zinc/49/79/87/481497987.db2.gz DDNQEVMZQCHWPY-UHFFFAOYSA-N 1 3 332.492 2.551 20 0 EFADHO CCN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000659571767 481499218 /nfs/dbraw/zinc/49/92/18/481499218.db2.gz CAYIHOKFXKRKIV-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CCCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000659646450 481526575 /nfs/dbraw/zinc/52/65/75/481526575.db2.gz NOGQVHPEDNDAGW-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637472960 481552057 /nfs/dbraw/zinc/55/20/57/481552057.db2.gz NHGJJPCPKGYWPS-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637472960 481552065 /nfs/dbraw/zinc/55/20/65/481552065.db2.gz NHGJJPCPKGYWPS-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000637474838 481555939 /nfs/dbraw/zinc/55/59/39/481555939.db2.gz JJYPELOSGATZNK-HKUYNNGSSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000651105736 481561018 /nfs/dbraw/zinc/56/10/18/481561018.db2.gz GHFLFPLIKSBPLN-PXNSSMCTSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000651105736 481561022 /nfs/dbraw/zinc/56/10/22/481561022.db2.gz GHFLFPLIKSBPLN-PXNSSMCTSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000637504135 481572628 /nfs/dbraw/zinc/57/26/28/481572628.db2.gz UBLVDDPDYLROAV-MRXNPFEDSA-N 1 3 334.508 2.803 20 0 EFADHO CCCC[N@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659846482 481592610 /nfs/dbraw/zinc/59/26/10/481592610.db2.gz HSFHAFYNKRQIBS-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659846482 481592622 /nfs/dbraw/zinc/59/26/22/481592622.db2.gz HSFHAFYNKRQIBS-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[C@@H]1[NH3+] ZINC000647006017 481597131 /nfs/dbraw/zinc/59/71/31/481597131.db2.gz JNLUVYDWZAVOCZ-LMMKCTJWSA-N 1 3 347.478 2.624 20 0 EFADHO CC[C@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647008998 481600330 /nfs/dbraw/zinc/60/03/30/481600330.db2.gz XFKNHTLUQKVQQZ-OALUTQOASA-N 1 3 343.515 2.875 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647024086 481608707 /nfs/dbraw/zinc/60/87/07/481608707.db2.gz SKOIBCSPAVVRIV-SJORKVTESA-N 1 3 347.503 2.668 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647064223 481623464 /nfs/dbraw/zinc/62/34/64/481623464.db2.gz MAHXLSMUZVAVFI-IRXDYDNUSA-N 1 3 347.503 2.797 20 0 EFADHO C[C@@H]1CC2(CN1Cc1ccn(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000643895323 481635344 /nfs/dbraw/zinc/63/53/44/481635344.db2.gz YTWWBSGUKIEQDR-OAHLLOKOSA-N 1 3 328.435 2.975 20 0 EFADHO COc1ccc(-c2noc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)cc1 ZINC000643895249 481635423 /nfs/dbraw/zinc/63/54/23/481635423.db2.gz IBLFTABYJRTQPW-AWEZNQCLSA-N 1 3 342.443 2.709 20 0 EFADHO CCN1CCCN(C(=O)NCCC[N@H+](CC)C2CCCCC2)CC1 ZINC000651219982 481637608 /nfs/dbraw/zinc/63/76/08/481637608.db2.gz OGZNTIMKMOHFDL-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCN1CCCN(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000651219982 481637616 /nfs/dbraw/zinc/63/76/16/481637616.db2.gz OGZNTIMKMOHFDL-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO COc1ccc(CN(C)Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC000662249326 481664524 /nfs/dbraw/zinc/66/45/24/481664524.db2.gz LMGWNUNEWPXLPC-UHFFFAOYSA-N 1 3 326.440 2.982 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1coc2ccc(Cl)cc12 ZINC000651263733 481667415 /nfs/dbraw/zinc/66/74/15/481667415.db2.gz FEWTWFZETXVYIJ-UHFFFAOYSA-N 1 3 337.851 2.652 20 0 EFADHO CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662256862 481670325 /nfs/dbraw/zinc/67/03/25/481670325.db2.gz LTEGRAIHSLBSCO-RTBURBONSA-N 1 3 329.488 2.554 20 0 EFADHO c1ccc2oc([C@@H]3CCC[N@@H+](C[C@@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260934 481674714 /nfs/dbraw/zinc/67/47/14/481674714.db2.gz RSROLBYBBJRXQC-CABCVRRESA-N 1 3 327.428 2.528 20 0 EFADHO c1ccc2oc([C@@H]3CCC[N@H+](C[C@@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260934 481674722 /nfs/dbraw/zinc/67/47/22/481674722.db2.gz RSROLBYBBJRXQC-CABCVRRESA-N 1 3 327.428 2.528 20 0 EFADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974916 481675456 /nfs/dbraw/zinc/67/54/56/481675456.db2.gz LCSRANFIHMYCKP-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974916 481675464 /nfs/dbraw/zinc/67/54/64/481675464.db2.gz LCSRANFIHMYCKP-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974915 481676446 /nfs/dbraw/zinc/67/64/46/481676446.db2.gz LCSRANFIHMYCKP-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974915 481676452 /nfs/dbraw/zinc/67/64/52/481676452.db2.gz LCSRANFIHMYCKP-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979568 481680194 /nfs/dbraw/zinc/68/01/94/481680194.db2.gz ULDDHOKRLMXPDO-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979568 481680200 /nfs/dbraw/zinc/68/02/00/481680200.db2.gz ULDDHOKRLMXPDO-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979568 481680204 /nfs/dbraw/zinc/68/02/04/481680204.db2.gz ULDDHOKRLMXPDO-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979568 481680210 /nfs/dbraw/zinc/68/02/10/481680210.db2.gz ULDDHOKRLMXPDO-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659989674 481687886 /nfs/dbraw/zinc/68/78/86/481687886.db2.gz QXTRSVFHHUQMBN-WMLDXEAASA-N 1 3 333.501 2.763 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659989674 481687894 /nfs/dbraw/zinc/68/78/94/481687894.db2.gz QXTRSVFHHUQMBN-WMLDXEAASA-N 1 3 333.501 2.763 20 0 EFADHO OCC1([NH2+]CCOc2ccc(Oc3ccccc3)cc2)CCNCC1 ZINC000662285912 481691794 /nfs/dbraw/zinc/69/17/94/481691794.db2.gz AEBNNKSAEJFLDY-UHFFFAOYSA-N 1 3 342.439 2.562 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291018 481692603 /nfs/dbraw/zinc/69/26/03/481692603.db2.gz NFJGMGPAVJKLFK-FXAWDEMLSA-N 1 3 343.515 2.711 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290915 481692677 /nfs/dbraw/zinc/69/26/77/481692677.db2.gz NBSRBXSZDQPRBA-QGZVFWFLSA-N 1 3 342.487 2.844 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291020 481693084 /nfs/dbraw/zinc/69/30/84/481693084.db2.gz NFJGMGPAVJKLFK-XLIONFOSSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000662291818 481695351 /nfs/dbraw/zinc/69/53/51/481695351.db2.gz KUAAQKQDEXACHC-UYAOXDASSA-N 1 3 341.499 2.894 20 0 EFADHO O=c1[nH]c(CCN2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2ccccc21 ZINC000662291548 481695397 /nfs/dbraw/zinc/69/53/97/481695397.db2.gz HYZLNZURTAODAR-MRXNPFEDSA-N 1 3 340.471 2.590 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291964 481695510 /nfs/dbraw/zinc/69/55/10/481695510.db2.gz ZTGTZWSRLCKHRM-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291974 481695686 /nfs/dbraw/zinc/69/56/86/481695686.db2.gz ZWOFCSXLAVAQDX-MJQMVNBJSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293261 481697482 /nfs/dbraw/zinc/69/74/82/481697482.db2.gz FHVCAVBCKGGMFL-NTDBWNAOSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293262 481697868 /nfs/dbraw/zinc/69/78/68/481697868.db2.gz FHVCAVBCKGGMFL-SFNKJDCFSA-N 1 3 335.536 2.591 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010768 481698761 /nfs/dbraw/zinc/69/87/61/481698761.db2.gz MAKOPOIPMCWJOL-RCCFBDPRSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010768 481698771 /nfs/dbraw/zinc/69/87/71/481698771.db2.gz MAKOPOIPMCWJOL-RCCFBDPRSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010768 481698774 /nfs/dbraw/zinc/69/87/74/481698774.db2.gz MAKOPOIPMCWJOL-RCCFBDPRSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010768 481698784 /nfs/dbraw/zinc/69/87/84/481698784.db2.gz MAKOPOIPMCWJOL-RCCFBDPRSA-N 1 3 335.536 2.687 20 0 EFADHO O[C@]1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010109 481699494 /nfs/dbraw/zinc/69/94/94/481699494.db2.gz FVZPAXWBNOOKQN-ACRUOGEOSA-N 1 3 344.499 2.514 20 0 EFADHO O[C@]1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010109 481699502 /nfs/dbraw/zinc/69/95/02/481699502.db2.gz FVZPAXWBNOOKQN-ACRUOGEOSA-N 1 3 344.499 2.514 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294192 481700490 /nfs/dbraw/zinc/70/04/90/481700490.db2.gz BVKXQVSQEGMCGZ-QAPCUYQASA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297213 481702649 /nfs/dbraw/zinc/70/26/49/481702649.db2.gz OLAXDTANFLPXHK-XLIONFOSSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1cc(F)cc(C)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000667641927 481707200 /nfs/dbraw/zinc/70/72/00/481707200.db2.gz IOXRAJIBBBSNTD-UHFFFAOYSA-N 1 3 347.478 2.731 20 0 EFADHO Brc1ccc(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000662306271 481711144 /nfs/dbraw/zinc/71/11/44/481711144.db2.gz QFKCDSDEWNDMLI-AWEZNQCLSA-N 1 3 338.293 2.571 20 0 EFADHO C[C@@H]1CCCN(CCCS(=O)(=O)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662315577 481718622 /nfs/dbraw/zinc/71/86/22/481718622.db2.gz HQUFOBQZGLEBPA-SJLPKXTDSA-N 1 3 338.517 2.690 20 0 EFADHO C[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)[C@@H]1CCC[NH3+] ZINC000662315814 481718826 /nfs/dbraw/zinc/71/88/26/481718826.db2.gz SYMZGAQMFVYKTN-IEBWSBKVSA-N 1 3 343.515 2.674 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316702 481720283 /nfs/dbraw/zinc/72/02/83/481720283.db2.gz LYUPHLDMHDZQRZ-AZUAARDMSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316702 481720294 /nfs/dbraw/zinc/72/02/94/481720294.db2.gz LYUPHLDMHDZQRZ-AZUAARDMSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316702 481720302 /nfs/dbraw/zinc/72/03/02/481720302.db2.gz LYUPHLDMHDZQRZ-AZUAARDMSA-N 1 3 339.483 2.948 20 0 EFADHO OCC1([C@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2)CCCCC1 ZINC000665206712 481720565 /nfs/dbraw/zinc/72/05/65/481720565.db2.gz PATPVYBHBDRPQG-VQTJNVASSA-N 1 3 346.515 2.717 20 0 EFADHO CC(C)c1cccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000660056404 481730197 /nfs/dbraw/zinc/73/01/97/481730197.db2.gz HWGDYWCDBCOWCG-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662335536 481735214 /nfs/dbraw/zinc/73/52/14/481735214.db2.gz NBYQCPAVMSTFMF-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662335536 481735222 /nfs/dbraw/zinc/73/52/22/481735222.db2.gz NBYQCPAVMSTFMF-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335545 481735589 /nfs/dbraw/zinc/73/55/89/481735589.db2.gz NFSFRJRLOZRGKS-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335545 481735597 /nfs/dbraw/zinc/73/55/97/481735597.db2.gz NFSFRJRLOZRGKS-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO CC(=O)NCc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000665235162 481738190 /nfs/dbraw/zinc/73/81/90/481738190.db2.gz QPPBTVXXNSCKJG-LEWJYISDSA-N 1 3 337.467 2.906 20 0 EFADHO C[C@H]1CN(CCN(C)C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000660075229 481742274 /nfs/dbraw/zinc/74/22/74/481742274.db2.gz YFWBBCQIHIZELA-OALUTQOASA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000648787207 481742377 /nfs/dbraw/zinc/74/23/77/481742377.db2.gz IPIKGBNTNHEHGM-FRQCXROJSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648787207 481742382 /nfs/dbraw/zinc/74/23/82/481742382.db2.gz IPIKGBNTNHEHGM-FRQCXROJSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000648795676 481746857 /nfs/dbraw/zinc/74/68/57/481746857.db2.gz WRPMTTDJYWREQX-JYYAWHABSA-N 1 3 335.517 2.587 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000648795676 481746865 /nfs/dbraw/zinc/74/68/65/481746865.db2.gz WRPMTTDJYWREQX-JYYAWHABSA-N 1 3 335.517 2.587 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000644154202 481751130 /nfs/dbraw/zinc/75/11/30/481751130.db2.gz IKNJYPPLXVGZOR-YLJYHZDGSA-N 1 3 339.483 2.583 20 0 EFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1CNCCC1(F)F ZINC000644157608 481752315 /nfs/dbraw/zinc/75/23/15/481752315.db2.gz AVNAEOSISKJXFU-MRXNPFEDSA-N 1 3 337.414 2.508 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000648810017 481758716 /nfs/dbraw/zinc/75/87/16/481758716.db2.gz JUVPETQCHSYLQE-WDSOQIARSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000648810017 481758722 /nfs/dbraw/zinc/75/87/22/481758722.db2.gz JUVPETQCHSYLQE-WDSOQIARSA-N 1 3 331.504 2.599 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2cc3c(s2)CCNC3)CCCCCC1 ZINC000662368018 481759192 /nfs/dbraw/zinc/75/91/92/481759192.db2.gz JVKNCZCOTHRDFW-UHFFFAOYSA-N 1 3 335.517 2.778 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000667726650 481763582 /nfs/dbraw/zinc/76/35/82/481763582.db2.gz VUXCELGIIXRWRY-LJQANCHMSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@H]1C[C@H](NC(=O)Nc2cccc(C[NH3+])c2)CN1Cc1ccccc1 ZINC000667726218 481764014 /nfs/dbraw/zinc/76/40/14/481764014.db2.gz OEPAKXDGKOIEIJ-KXBFYZLASA-N 1 3 338.455 2.930 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667727159 481764380 /nfs/dbraw/zinc/76/43/80/481764380.db2.gz YFCLTUNHYSNRRX-UHFFFAOYSA-N 1 3 332.473 2.803 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667736577 481771171 /nfs/dbraw/zinc/77/11/71/481771171.db2.gz JGXWUZXVWDFKCI-KXBFYZLASA-N 1 3 338.455 2.787 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(CN)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667736821 481771235 /nfs/dbraw/zinc/77/12/35/481771235.db2.gz SMBVTFDWWVRLNU-HOCLYGCPSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(CN)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000667736821 481771247 /nfs/dbraw/zinc/77/12/47/481771247.db2.gz SMBVTFDWWVRLNU-HOCLYGCPSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662382697 481773520 /nfs/dbraw/zinc/77/35/20/481773520.db2.gz ANRBZHGQNOXKCS-CRAIPNDOSA-N 1 3 329.488 2.669 20 0 EFADHO CC(C)[C@@H](CNC(=O)c1cccc2c1CNC2)[NH+]1CCC(C)CC1 ZINC000662382406 481774345 /nfs/dbraw/zinc/77/43/45/481774345.db2.gz JYSJKYFCTHCOOD-LJQANCHMSA-N 1 3 329.488 2.776 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294732 481778743 /nfs/dbraw/zinc/77/87/43/481778743.db2.gz VMJIADMOXQACAA-AHRSYUTCSA-N 1 3 332.488 2.860 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294092 481778848 /nfs/dbraw/zinc/77/88/48/481778848.db2.gz HRQBOPFOEWHQOM-ZCNNSNEGSA-N 1 3 332.488 2.989 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662388156 481779062 /nfs/dbraw/zinc/77/90/62/481779062.db2.gz JTVQENGWHIKTGK-AWEZNQCLSA-N 1 3 335.517 2.778 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662388156 481779070 /nfs/dbraw/zinc/77/90/70/481779070.db2.gz JTVQENGWHIKTGK-AWEZNQCLSA-N 1 3 335.517 2.778 20 0 EFADHO CN(CCc1nsc2ccccc21)CC[N@H+](C)C1CCN(C)CC1 ZINC000660138943 481781373 /nfs/dbraw/zinc/78/13/73/481781373.db2.gz BTKRACYSNIZQGA-UHFFFAOYSA-N 1 3 346.544 2.797 20 0 EFADHO CN(CCc1nsc2ccccc21)CC[N@@H+](C)C1CCN(C)CC1 ZINC000660138943 481781380 /nfs/dbraw/zinc/78/13/80/481781380.db2.gz BTKRACYSNIZQGA-UHFFFAOYSA-N 1 3 346.544 2.797 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cccc4c3CCNC4)C2)CC1 ZINC000667750565 481783434 /nfs/dbraw/zinc/78/34/34/481783434.db2.gz ACMSMFWFNBJBEF-KRWDZBQOSA-N 1 3 342.487 2.528 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)c2cc3c(s2)CCNC3)([NH+](C)C)C1 ZINC000662400907 481786885 /nfs/dbraw/zinc/78/68/85/481786885.db2.gz IQHOOGKKMHEWNI-SCLBCKFNSA-N 1 3 335.517 2.634 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662406170 481787686 /nfs/dbraw/zinc/78/76/86/481787686.db2.gz DALWMVUOGRTROB-CYJAXWMASA-N 1 3 329.488 2.704 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662406170 481787691 /nfs/dbraw/zinc/78/76/91/481787691.db2.gz DALWMVUOGRTROB-CYJAXWMASA-N 1 3 329.488 2.704 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000637831197 481796833 /nfs/dbraw/zinc/79/68/33/481796833.db2.gz UUTIRGUUKDBUQU-SFHVURJKSA-N 1 3 329.488 2.802 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000662421934 481799111 /nfs/dbraw/zinc/79/91/11/481799111.db2.gz GMZKWUCGRQOCFN-FQEVSTJZSA-N 1 3 341.499 2.992 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637839108 481802314 /nfs/dbraw/zinc/80/23/14/481802314.db2.gz HGUZFCMBBLTJNU-GOSISDBHSA-N 1 3 335.451 2.793 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637839108 481802323 /nfs/dbraw/zinc/80/23/23/481802323.db2.gz HGUZFCMBBLTJNU-GOSISDBHSA-N 1 3 335.451 2.793 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCCCC1 ZINC000654349130 481810289 /nfs/dbraw/zinc/81/02/89/481810289.db2.gz YJDJDZSPZHKSNZ-SJORKVTESA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)(CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000654351359 481811550 /nfs/dbraw/zinc/81/15/50/481811550.db2.gz ZMRPALMJDPIEBR-IAGOWNOFSA-N 1 3 336.524 2.567 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc21 ZINC000662451470 481812534 /nfs/dbraw/zinc/81/25/34/481812534.db2.gz BPCCJNAHXIMHPN-RTBURBONSA-N 1 3 341.499 2.766 20 0 EFADHO CC[N@H+]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000665355761 481813414 /nfs/dbraw/zinc/81/34/14/481813414.db2.gz RCIPUUWKQRAEIV-LPHOPBHVSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)[C@@H](C)C1 ZINC000665355761 481813420 /nfs/dbraw/zinc/81/34/20/481813420.db2.gz RCIPUUWKQRAEIV-LPHOPBHVSA-N 1 3 329.488 2.743 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467762 481821477 /nfs/dbraw/zinc/82/14/77/481821477.db2.gz FFQVDLFXYDJFLI-LJQANCHMSA-N 1 3 327.472 2.698 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662467762 481821486 /nfs/dbraw/zinc/82/14/86/481821486.db2.gz FFQVDLFXYDJFLI-LJQANCHMSA-N 1 3 327.472 2.698 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662479192 481829766 /nfs/dbraw/zinc/82/97/66/481829766.db2.gz ZWOHPFLWXHCYSL-QFBILLFUSA-N 1 3 327.472 2.555 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662479190 481830452 /nfs/dbraw/zinc/83/04/52/481830452.db2.gz ZWOHPFLWXHCYSL-APWZRJJASA-N 1 3 327.472 2.555 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662485961 481833903 /nfs/dbraw/zinc/83/39/03/481833903.db2.gz TWNFGEXPIPNVEB-ZWKOTPCHSA-N 1 3 329.488 2.622 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000654380305 481836804 /nfs/dbraw/zinc/83/68/04/481836804.db2.gz CNRTZCXKLJRGJB-RTBURBONSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)c1cc2c(s1)CCNC2)CC(C)C ZINC000662494368 481839874 /nfs/dbraw/zinc/83/98/74/481839874.db2.gz YGUVAVKKAKIOGE-HNNXBMFYSA-N 1 3 337.533 2.880 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000660229557 481843535 /nfs/dbraw/zinc/84/35/35/481843535.db2.gz LBJHEJPKCNOTMN-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000662507041 481847960 /nfs/dbraw/zinc/84/79/60/481847960.db2.gz INZLPSAAXOXMHL-SJORKVTESA-N 1 3 346.519 2.734 20 0 EFADHO CCCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000649000538 481879794 /nfs/dbraw/zinc/87/97/94/481879794.db2.gz XLRULBMPEKWGPY-LJQANCHMSA-N 1 3 338.455 2.803 20 0 EFADHO CCCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000649000538 481879800 /nfs/dbraw/zinc/87/98/00/481879800.db2.gz XLRULBMPEKWGPY-LJQANCHMSA-N 1 3 338.455 2.803 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000662587507 481888242 /nfs/dbraw/zinc/88/82/42/481888242.db2.gz GHWVPKBUYWDLQM-RBUKOAKNSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000662591559 481890249 /nfs/dbraw/zinc/89/02/49/481890249.db2.gz AMXXSOZABCQUPX-KFKAGJAMSA-N 1 3 329.488 2.561 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000660321617 481895050 /nfs/dbraw/zinc/89/50/50/481895050.db2.gz HMOFWLLVMKYGRH-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662619556 481901747 /nfs/dbraw/zinc/90/17/47/481901747.db2.gz MMXQAKJFZWPVGJ-IRXDYDNUSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnnn2-c2ccccc2)C1 ZINC000651678073 481901755 /nfs/dbraw/zinc/90/17/55/481901755.db2.gz ASSCDSPVUURVDC-QGZVFWFLSA-N 1 3 327.476 2.869 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnnn2-c2ccccc2)C1 ZINC000651678073 481901760 /nfs/dbraw/zinc/90/17/60/481901760.db2.gz ASSCDSPVUURVDC-QGZVFWFLSA-N 1 3 327.476 2.869 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502988 481904533 /nfs/dbraw/zinc/90/45/33/481904533.db2.gz YIJLTHIWZCKUNX-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502988 481904539 /nfs/dbraw/zinc/90/45/39/481904539.db2.gz YIJLTHIWZCKUNX-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662659848 481922212 /nfs/dbraw/zinc/92/22/12/481922212.db2.gz VNGZVPWNOSOFKR-SBHAEUEKSA-N 1 3 343.515 2.669 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662669086 481925927 /nfs/dbraw/zinc/92/59/27/481925927.db2.gz UZNGUYAWGABEGE-APWZRJJASA-N 1 3 327.472 2.744 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662669086 481925931 /nfs/dbraw/zinc/92/59/31/481925931.db2.gz UZNGUYAWGABEGE-APWZRJJASA-N 1 3 327.472 2.744 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)c1cccc2c1CCNC2)CC(C)C ZINC000662672930 481926090 /nfs/dbraw/zinc/92/60/90/481926090.db2.gz HTTVFDHHBZVJTH-KRWDZBQOSA-N 1 3 331.504 2.819 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc2c1CCNC2 ZINC000662675005 481928108 /nfs/dbraw/zinc/92/81/08/481928108.db2.gz IQBQEXKGGQGXHE-UHFFFAOYSA-N 1 3 349.478 2.858 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000665554242 481933527 /nfs/dbraw/zinc/93/35/27/481933527.db2.gz IGIPQUGVQXULFE-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO COC1CC[NH+](CCNCc2nc(C(C)C)n3ccccc23)CC1 ZINC000651753307 481933451 /nfs/dbraw/zinc/93/34/51/481933451.db2.gz MVYPSSCTIHMGKT-UHFFFAOYSA-N 1 3 330.476 2.658 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000665557349 481935039 /nfs/dbraw/zinc/93/50/39/481935039.db2.gz SBUJWUBOGQZDHC-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000662694827 481936935 /nfs/dbraw/zinc/93/69/35/481936935.db2.gz UDLLJTSOOFCTNG-AEFFLSMTSA-N 1 3 331.504 2.949 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N2CCCC2)cc1 ZINC000662701683 481941504 /nfs/dbraw/zinc/94/15/04/481941504.db2.gz SJTYAALGNYIWJU-ROUUACIJSA-N 1 3 329.488 2.636 20 0 EFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668027486 481941573 /nfs/dbraw/zinc/94/15/73/481941573.db2.gz KFAAJRBSZXZNLX-IBGZPJMESA-N 1 3 330.472 2.915 20 0 EFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668027486 481941576 /nfs/dbraw/zinc/94/15/76/481941576.db2.gz KFAAJRBSZXZNLX-IBGZPJMESA-N 1 3 330.472 2.915 20 0 EFADHO C[NH+]1CCC2(CCCN2Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668027486 481941578 /nfs/dbraw/zinc/94/15/78/481941578.db2.gz KFAAJRBSZXZNLX-IBGZPJMESA-N 1 3 330.472 2.915 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000654574294 481943232 /nfs/dbraw/zinc/94/32/32/481943232.db2.gz IBCNPZPQPATPPX-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416835 481946437 /nfs/dbraw/zinc/94/64/37/481946437.db2.gz XHJMIQNKSVDZOB-RHSMWYFYSA-N 1 3 333.501 2.906 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416835 481946446 /nfs/dbraw/zinc/94/64/46/481946446.db2.gz XHJMIQNKSVDZOB-RHSMWYFYSA-N 1 3 333.501 2.906 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662718893 481947066 /nfs/dbraw/zinc/94/70/66/481947066.db2.gz RYVMMZCIUCLQCG-NJAFHUGGSA-N 1 3 329.488 2.544 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H]1c1cccs1 ZINC000662745267 481957428 /nfs/dbraw/zinc/95/74/28/481957428.db2.gz LCTXCJXYWRKJAG-VNQPRFMTSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@H](C[NH3+])C(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000662760435 481961066 /nfs/dbraw/zinc/96/10/66/481961066.db2.gz WMQLCVAIPKWSIB-APWZRJJASA-N 1 3 343.515 2.730 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788624 481970191 /nfs/dbraw/zinc/97/01/91/481970191.db2.gz PIHFAMYWPAYURN-JZXOWHBKSA-N 1 3 341.499 2.810 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788624 481970192 /nfs/dbraw/zinc/97/01/92/481970192.db2.gz PIHFAMYWPAYURN-JZXOWHBKSA-N 1 3 341.499 2.810 20 0 EFADHO C[N@H+](CCCN1CCCC1)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660465034 481974971 /nfs/dbraw/zinc/97/49/71/481974971.db2.gz VGZJYQXOKXTXAF-KRWDZBQOSA-N 1 3 333.501 2.907 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660465034 481974976 /nfs/dbraw/zinc/97/49/76/481974976.db2.gz VGZJYQXOKXTXAF-KRWDZBQOSA-N 1 3 333.501 2.907 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000662845208 481993431 /nfs/dbraw/zinc/99/34/31/481993431.db2.gz FPGQGXVOTLEGJK-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N(CC)CC ZINC000662867333 481998738 /nfs/dbraw/zinc/99/87/38/481998738.db2.gz YPZZHUNNZLJOCX-KZNAEPCWSA-N 1 3 335.467 2.508 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N1CCCCCC1 ZINC000662869845 481999301 /nfs/dbraw/zinc/99/93/01/481999301.db2.gz ONPVDLDYZPDGCH-KFKAGJAMSA-N 1 3 347.478 2.652 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662871669 482000555 /nfs/dbraw/zinc/00/05/55/482000555.db2.gz CEHKNLANXMEUNO-SFHVURJKSA-N 1 3 331.504 2.527 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000668168835 482012342 /nfs/dbraw/zinc/01/23/42/482012342.db2.gz BWLXQIZKCUNTDV-CEXWTWQISA-N 1 3 346.519 2.552 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000668168835 482012348 /nfs/dbraw/zinc/01/23/48/482012348.db2.gz BWLXQIZKCUNTDV-CEXWTWQISA-N 1 3 346.519 2.552 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662918830 482012725 /nfs/dbraw/zinc/01/27/25/482012725.db2.gz IFBNMUOVKVRBKY-ZWKOTPCHSA-N 1 3 343.515 2.778 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000662918830 482012729 /nfs/dbraw/zinc/01/27/29/482012729.db2.gz IFBNMUOVKVRBKY-ZWKOTPCHSA-N 1 3 343.515 2.778 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000654725383 482014563 /nfs/dbraw/zinc/01/45/63/482014563.db2.gz HDJMGDZPMZYENG-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000649293390 482015807 /nfs/dbraw/zinc/01/58/07/482015807.db2.gz RFSXNTKUKYAXNI-ROUUACIJSA-N 1 3 343.515 2.687 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000654727075 482016762 /nfs/dbraw/zinc/01/67/62/482016762.db2.gz FOMZEHHFUUTHRI-OTWHNJEPSA-N 1 3 348.535 2.663 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654731913 482022397 /nfs/dbraw/zinc/02/23/97/482022397.db2.gz PKGJZPNHBZNBPE-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654733412 482023358 /nfs/dbraw/zinc/02/33/58/482023358.db2.gz VCHOLHNTQMZJNI-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)([NH3+])CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000649312909 482024735 /nfs/dbraw/zinc/02/47/35/482024735.db2.gz JBYKFFDPBHGGEK-UHFFFAOYSA-N 1 3 335.517 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@H+](C2CCC2)C1 ZINC000654735439 482026001 /nfs/dbraw/zinc/02/60/01/482026001.db2.gz UOFUZFVHEQVFAK-WDSOQIARSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC[N@@H+](C2CCC2)C1 ZINC000654735439 482025995 /nfs/dbraw/zinc/02/59/95/482025995.db2.gz UOFUZFVHEQVFAK-WDSOQIARSA-N 1 3 348.535 2.519 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000668240585 482047627 /nfs/dbraw/zinc/04/76/27/482047627.db2.gz MJYFQZXBKPYNLD-AABGKKOBSA-N 1 3 341.499 2.662 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660634933 482060722 /nfs/dbraw/zinc/06/07/22/482060722.db2.gz XCKPFDLFWHMAPW-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660634933 482060724 /nfs/dbraw/zinc/06/07/24/482060724.db2.gz XCKPFDLFWHMAPW-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635822 482061879 /nfs/dbraw/zinc/06/18/79/482061879.db2.gz MMZBJOVACQMFPE-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)Cc1ccccc1 ZINC000660635822 482061886 /nfs/dbraw/zinc/06/18/86/482061886.db2.gz MMZBJOVACQMFPE-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO COCC1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000660636139 482061926 /nfs/dbraw/zinc/06/19/26/482061926.db2.gz PEKJMMVYRPHMSR-UHFFFAOYSA-N 1 3 332.488 2.958 20 0 EFADHO COc1ccc(C)cc1CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000649411345 482066577 /nfs/dbraw/zinc/06/65/77/482066577.db2.gz KOGMOMBSITXIOF-UHFFFAOYSA-N 1 3 331.504 2.511 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414659 482068816 /nfs/dbraw/zinc/06/88/16/482068816.db2.gz PNGZXCSJKQIBAD-APWZRJJASA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414659 482068820 /nfs/dbraw/zinc/06/88/20/482068820.db2.gz PNGZXCSJKQIBAD-APWZRJJASA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000649414659 482068823 /nfs/dbraw/zinc/06/88/23/482068823.db2.gz PNGZXCSJKQIBAD-APWZRJJASA-N 1 3 328.460 2.617 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417827 482069762 /nfs/dbraw/zinc/06/97/62/482069762.db2.gz IXGJJZLGUNPLAI-VYDXJSESSA-N 1 3 341.459 2.904 20 0 EFADHO CC(C)CNC(=O)CCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679562 482090596 /nfs/dbraw/zinc/09/05/96/482090596.db2.gz NNTFPUDVGIIQBU-UHFFFAOYSA-N 1 3 331.504 2.793 20 0 EFADHO CCCCCN(CCNC(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000652228909 482135740 /nfs/dbraw/zinc/13/57/40/482135740.db2.gz VTAALHFESFNYGJ-IBGZPJMESA-N 1 3 346.519 2.669 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[C@H]1[NH3+] ZINC000668490946 482142842 /nfs/dbraw/zinc/14/28/42/482142842.db2.gz QBVQQMATBLAPPZ-BHIYHBOVSA-N 1 3 344.503 2.592 20 0 EFADHO CC[N@@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000660785996 482144221 /nfs/dbraw/zinc/14/42/21/482144221.db2.gz FQUOECCKMVJJGP-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@H+]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000660785996 482144225 /nfs/dbraw/zinc/14/42/25/482144225.db2.gz FQUOECCKMVJJGP-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000660785600 482144471 /nfs/dbraw/zinc/14/44/71/482144471.db2.gz AEEQJPWIJDKCKG-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO CC[N@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000660785600 482144477 /nfs/dbraw/zinc/14/44/77/482144477.db2.gz AEEQJPWIJDKCKG-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000660785600 482144482 /nfs/dbraw/zinc/14/44/82/482144482.db2.gz AEEQJPWIJDKCKG-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000660785600 482144484 /nfs/dbraw/zinc/14/44/84/482144484.db2.gz AEEQJPWIJDKCKG-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668540232 482158424 /nfs/dbraw/zinc/15/84/24/482158424.db2.gz AIOLCAIWHXIVNQ-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668540232 482158429 /nfs/dbraw/zinc/15/84/29/482158429.db2.gz AIOLCAIWHXIVNQ-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668540234 482160315 /nfs/dbraw/zinc/16/03/15/482160315.db2.gz AIOLCAIWHXIVNQ-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000668540234 482160321 /nfs/dbraw/zinc/16/03/21/482160321.db2.gz AIOLCAIWHXIVNQ-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)c1cccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000663328148 482163838 /nfs/dbraw/zinc/16/38/38/482163838.db2.gz KJURCRFOKJONQN-UHFFFAOYSA-N 1 3 345.531 2.696 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660824039 482165096 /nfs/dbraw/zinc/16/50/96/482165096.db2.gz JMZSZZRYIQXJGY-IAGOWNOFSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660824039 482165098 /nfs/dbraw/zinc/16/50/98/482165098.db2.gz JMZSZZRYIQXJGY-IAGOWNOFSA-N 1 3 336.524 2.567 20 0 EFADHO FC(F)(F)CN1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345567 482173812 /nfs/dbraw/zinc/17/38/12/482173812.db2.gz LBQJMRJKTABCKU-OAHLLOKOSA-N 1 3 333.442 2.725 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082218 482175758 /nfs/dbraw/zinc/17/57/58/482175758.db2.gz OTTMUWPDPKXYJP-KRWDZBQOSA-N 1 3 335.923 2.813 20 0 EFADHO COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000666090372 482177410 /nfs/dbraw/zinc/17/74/10/482177410.db2.gz XPDSNLFXHDHYRQ-IRXDYDNUSA-N 1 3 331.504 2.823 20 0 EFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000666090370 482177796 /nfs/dbraw/zinc/17/77/96/482177796.db2.gz XPDSNLFXHDHYRQ-IAGOWNOFSA-N 1 3 331.504 2.823 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000660857501 482182142 /nfs/dbraw/zinc/18/21/42/482182142.db2.gz QBBYIRKFIZOFGJ-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO COc1c(C)cnc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652362474 482195646 /nfs/dbraw/zinc/19/56/46/482195646.db2.gz IAWZWIRDBMZFRZ-JQHSSLGASA-N 1 3 333.476 2.568 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H](O)CN(C)C(C)C)cc1 ZINC000660919494 482218988 /nfs/dbraw/zinc/21/89/88/482218988.db2.gz YNIZELVICUIOAW-OALUTQOASA-N 1 3 334.504 2.793 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H](O)CN(C)C(C)C)cc1 ZINC000660919494 482218992 /nfs/dbraw/zinc/21/89/92/482218992.db2.gz YNIZELVICUIOAW-OALUTQOASA-N 1 3 334.504 2.793 20 0 EFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1c[nH]nc1C ZINC000666220259 482228367 /nfs/dbraw/zinc/22/83/67/482228367.db2.gz YIDRZNUSSOKWND-QKYXUNIQSA-N 1 3 342.487 2.906 20 0 EFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1c[nH]nc1C ZINC000666220259 482228374 /nfs/dbraw/zinc/22/83/74/482228374.db2.gz YIDRZNUSSOKWND-QKYXUNIQSA-N 1 3 342.487 2.906 20 0 EFADHO OC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1F ZINC000668757039 482248910 /nfs/dbraw/zinc/24/89/10/482248910.db2.gz YJQPPVWOKUZJDW-GOSISDBHSA-N 1 3 333.382 2.652 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467420 482254457 /nfs/dbraw/zinc/25/44/57/482254457.db2.gz FQXKRZOOCUYSPG-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467420 482254463 /nfs/dbraw/zinc/25/44/63/482254463.db2.gz FQXKRZOOCUYSPG-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467420 482254472 /nfs/dbraw/zinc/25/44/72/482254472.db2.gz FQXKRZOOCUYSPG-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655349103 482276595 /nfs/dbraw/zinc/27/65/95/482276595.db2.gz JSNLSHWXPHELPG-UXHICEINSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655349103 482276592 /nfs/dbraw/zinc/27/65/92/482276592.db2.gz JSNLSHWXPHELPG-UXHICEINSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661072302 482307943 /nfs/dbraw/zinc/30/79/43/482307943.db2.gz XJYDLRHLPSCTSF-LPHOPBHVSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661072302 482307950 /nfs/dbraw/zinc/30/79/50/482307950.db2.gz XJYDLRHLPSCTSF-LPHOPBHVSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc2c(c1)CNCC2 ZINC000663595962 482314672 /nfs/dbraw/zinc/31/46/72/482314672.db2.gz NTUTYGDLWIHQTH-INIZCTEOSA-N 1 3 342.487 2.576 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc2c(c1)CNCC2 ZINC000663595962 482314676 /nfs/dbraw/zinc/31/46/76/482314676.db2.gz NTUTYGDLWIHQTH-INIZCTEOSA-N 1 3 342.487 2.576 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663599543 482317095 /nfs/dbraw/zinc/31/70/95/482317095.db2.gz KGEVUDYTRMNHJH-MRXNPFEDSA-N 1 3 330.476 2.697 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663599543 482317099 /nfs/dbraw/zinc/31/70/99/482317099.db2.gz KGEVUDYTRMNHJH-MRXNPFEDSA-N 1 3 330.476 2.697 20 0 EFADHO CN(CCN1CCCCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000650144157 482402380 /nfs/dbraw/zinc/40/23/80/482402380.db2.gz YAWVKKRYQAAWOG-UHFFFAOYSA-N 1 3 332.492 2.740 20 0 EFADHO CN(C)CC[C@@H](N)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000650225466 482422464 /nfs/dbraw/zinc/42/24/64/482422464.db2.gz NMFNIIFOSIQYJL-QGZVFWFLSA-N 1 3 343.475 2.674 20 0 EFADHO CSC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000187945120 533719489 /nfs/dbraw/zinc/71/94/89/533719489.db2.gz YZXKGXCERMFYPV-CEXWTWQISA-N 1 3 334.529 2.697 20 0 EFADHO CSC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000187945120 533719492 /nfs/dbraw/zinc/71/94/92/533719492.db2.gz YZXKGXCERMFYPV-CEXWTWQISA-N 1 3 334.529 2.697 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129991624 533784198 /nfs/dbraw/zinc/78/41/98/533784198.db2.gz URNSRCCUVKBSTC-DLBZAZTESA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423395141 518183393 /nfs/dbraw/zinc/18/33/93/518183393.db2.gz RSPQGAFDULJXEI-USXIJHARSA-N 1 3 328.460 2.920 20 0 EFADHO CC(C)(CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000263039954 519258520 /nfs/dbraw/zinc/25/85/20/519258520.db2.gz STIXEJCWSRXWSJ-NQIIRXRSSA-N 1 3 343.515 2.847 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)C(C)C ZINC000183183590 519643185 /nfs/dbraw/zinc/64/31/85/519643185.db2.gz WQICHTQLHGDYHB-MSOLQXFVSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)C ZINC000060954460 519647335 /nfs/dbraw/zinc/64/73/35/519647335.db2.gz HNKYVELXTIFQJM-GOSISDBHSA-N 1 3 334.508 2.707 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000179715742 519669012 /nfs/dbraw/zinc/66/90/12/519669012.db2.gz BPOJWNVILTYCDJ-QGZVFWFLSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000156718109 519731557 /nfs/dbraw/zinc/73/15/57/519731557.db2.gz GQNPARIAEZPVFH-LJQANCHMSA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000156718109 519731558 /nfs/dbraw/zinc/73/15/58/519731558.db2.gz GQNPARIAEZPVFH-LJQANCHMSA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)COC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245954977 519758258 /nfs/dbraw/zinc/75/82/58/519758258.db2.gz BVIVWAVOMBLJHI-AZUAARDMSA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)COC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000245954977 519758260 /nfs/dbraw/zinc/75/82/60/519758260.db2.gz BVIVWAVOMBLJHI-AZUAARDMSA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000236667692 519815650 /nfs/dbraw/zinc/81/56/50/519815650.db2.gz QYNSSQRIMRNSNS-SXLOBPIMSA-N 1 3 343.515 2.703 20 0 EFADHO CC(C)[C@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120025626 519816017 /nfs/dbraw/zinc/81/60/17/519816017.db2.gz VBKWBYFTXASFJT-FQEVSTJZSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000120025626 519816018 /nfs/dbraw/zinc/81/60/18/519816018.db2.gz VBKWBYFTXASFJT-FQEVSTJZSA-N 1 3 337.552 2.730 20 0 EFADHO CCCO[C@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192737775 520286684 /nfs/dbraw/zinc/28/66/84/520286684.db2.gz OSTQCEGIPVTYNL-IBGZPJMESA-N 1 3 325.541 2.684 20 0 EFADHO CCCO[C@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192737775 520286689 /nfs/dbraw/zinc/28/66/89/520286689.db2.gz OSTQCEGIPVTYNL-IBGZPJMESA-N 1 3 325.541 2.684 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCCC2 ZINC000181705630 520547930 /nfs/dbraw/zinc/54/79/30/520547930.db2.gz BKARYFWOPMNIAF-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO CCN(CC)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000058879946 520571259 /nfs/dbraw/zinc/57/12/59/520571259.db2.gz OBMPHPYWQGYCDT-UHFFFAOYSA-N 1 3 325.884 2.572 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000079008269 520613525 /nfs/dbraw/zinc/61/35/25/520613525.db2.gz FQLBEQVNIQFMPT-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000236735596 521064789 /nfs/dbraw/zinc/06/47/89/521064789.db2.gz IYVVCYWWNJOLET-SJLPKXTDSA-N 1 3 347.503 2.520 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236843379 521074699 /nfs/dbraw/zinc/07/46/99/521074699.db2.gz DOZTYDBIKFLKCB-LJQANCHMSA-N 1 3 344.503 2.675 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000119019172 521707971 /nfs/dbraw/zinc/70/79/71/521707971.db2.gz NEXDINIDUGHRES-AQNXPRMDSA-N 1 3 339.568 2.833 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000181627032 521805529 /nfs/dbraw/zinc/80/55/29/521805529.db2.gz SKCZSHYYJMPYGV-QRQLOZEOSA-N 1 3 332.488 2.920 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000262022968 521984271 /nfs/dbraw/zinc/98/42/71/521984271.db2.gz YMMHUAYWVPHCFE-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842430 522678186 /nfs/dbraw/zinc/67/81/86/522678186.db2.gz DTEXHPJGSJXOJX-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842430 522678196 /nfs/dbraw/zinc/67/81/96/522678196.db2.gz DTEXHPJGSJXOJX-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO NC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000178693717 534655968 /nfs/dbraw/zinc/65/59/68/534655968.db2.gz UEHQIBRLUUULIW-HXUWFJFHSA-N 1 3 337.467 2.641 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000120599634 523171426 /nfs/dbraw/zinc/17/14/26/523171426.db2.gz AWZLVVXQJFZOSW-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000120599634 523171434 /nfs/dbraw/zinc/17/14/34/523171434.db2.gz AWZLVVXQJFZOSW-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CO[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](OC)C3)c2)C1 ZINC000246090070 523596878 /nfs/dbraw/zinc/59/68/78/523596878.db2.gz HFKYXORAEMYGFC-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](OC)C3)c2)C1 ZINC000246090070 523596882 /nfs/dbraw/zinc/59/68/82/523596882.db2.gz HFKYXORAEMYGFC-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CC34CCCCC4)CC2)CC1 ZINC000180344783 523766444 /nfs/dbraw/zinc/76/64/44/523766444.db2.gz WPAXGPCEGMCAAX-SFHVURJKSA-N 1 3 348.535 2.567 20 0 EFADHO CN1CC[C@H]2[C@@H](CCCN2C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000245973859 524051715 /nfs/dbraw/zinc/05/17/15/524051715.db2.gz OKIRAWCDIBDWKU-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CC1CC1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028904 524097327 /nfs/dbraw/zinc/09/73/27/524097327.db2.gz QNSOBHDOCBMBMI-MRXNPFEDSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000245852289 524298078 /nfs/dbraw/zinc/29/80/78/524298078.db2.gz MQUKZQZOCUGWHE-IAGOWNOFSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000245954654 524502097 /nfs/dbraw/zinc/50/20/97/524502097.db2.gz TUAOKIWMNVZBOP-QZTJIDSGSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000181314573 524572621 /nfs/dbraw/zinc/57/26/21/524572621.db2.gz MQUKZQZOCUGWHE-IRXDYDNUSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@H]1CN(Cc2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CCCO1 ZINC000245399734 524618344 /nfs/dbraw/zinc/61/83/44/524618344.db2.gz ATDDKZQNMDBMKI-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1CN(Cc2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc2)CCCO1 ZINC000245399734 524618350 /nfs/dbraw/zinc/61/83/50/524618350.db2.gz ATDDKZQNMDBMKI-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO Cc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)c1 ZINC000192664554 524880619 /nfs/dbraw/zinc/88/06/19/524880619.db2.gz NGJIYPYKQYZOQW-VTHDOGFWSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H](C)C1 ZINC000245909665 524924838 /nfs/dbraw/zinc/92/48/38/524924838.db2.gz DAOPYRMQDDOWLS-MNZLEMJZSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NC1CC[NH+](C(C)(C)C)CC1 ZINC000089512984 524945820 /nfs/dbraw/zinc/94/58/20/524945820.db2.gz UXKPQQAHXPQCBR-LBPRGKRZSA-N 1 3 343.313 2.887 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@H](C)O1 ZINC000194007315 524946617 /nfs/dbraw/zinc/94/66/17/524946617.db2.gz HTUGULYSYWNZQA-RHQZKXFESA-N 1 3 336.520 2.813 20 0 EFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182384026 525056005 /nfs/dbraw/zinc/05/60/05/525056005.db2.gz XYMVNJRTUIXJQH-JKSUJKDBSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@H](NC(=O)NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182384026 525056013 /nfs/dbraw/zinc/05/60/13/525056013.db2.gz XYMVNJRTUIXJQH-JKSUJKDBSA-N 1 3 348.535 2.565 20 0 EFADHO Cc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341762 525252325 /nfs/dbraw/zinc/25/23/25/525252325.db2.gz FKBDIVXVOOVPNC-UHFFFAOYSA-N 1 3 330.476 2.675 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1C1CC1 ZINC000177733398 525427137 /nfs/dbraw/zinc/42/71/37/525427137.db2.gz QMHHKHQQYMKQEC-QAPCUYQASA-N 1 3 348.535 2.565 20 0 EFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000180998296 525435862 /nfs/dbraw/zinc/43/58/62/525435862.db2.gz NMUZHRDAPMQBOW-HNNXBMFYSA-N 1 3 343.446 2.968 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCSCC1 ZINC000187347830 525437609 /nfs/dbraw/zinc/43/76/09/525437609.db2.gz FCYFNHWRWIQDAT-HNNXBMFYSA-N 1 3 349.544 2.599 20 0 EFADHO C[C@@H]1C[C@H](NCCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000181357603 525440324 /nfs/dbraw/zinc/44/03/24/525440324.db2.gz AQTBDTFRVOHLPQ-IUODEOHRSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@@H]1C[C@H](NCCNc2cccc(Br)c2)CC[N@H+]1C ZINC000181357603 525440330 /nfs/dbraw/zinc/44/03/30/525440330.db2.gz AQTBDTFRVOHLPQ-IUODEOHRSA-N 1 3 326.282 2.933 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000349098254 534899239 /nfs/dbraw/zinc/89/92/39/534899239.db2.gz NEKXYWAIHALEKZ-IBGZPJMESA-N 1 3 329.488 2.773 20 0 EFADHO COc1cccc(C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000121328257 526075098 /nfs/dbraw/zinc/07/50/98/526075098.db2.gz GORWCVSKMLYDIL-TZIWHRDSSA-N 1 3 346.515 2.699 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237409522 526095978 /nfs/dbraw/zinc/09/59/78/526095978.db2.gz QFYASNIEULMXSG-OXQOHEQNSA-N 1 3 329.488 2.718 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2OCCN(C)C)cn1 ZINC000414061259 536503522 /nfs/dbraw/zinc/50/35/22/536503522.db2.gz ANYQQFPPTDEUBK-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H](C)C1 ZINC000165302994 527802665 /nfs/dbraw/zinc/80/26/65/527802665.db2.gz QHSVSBARIKNZTJ-HLAWJBBLSA-N 1 3 329.532 2.871 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000155212923 527802988 /nfs/dbraw/zinc/80/29/88/527802988.db2.gz DFBONGJCFVWUFW-TZMCWYRMSA-N 1 3 331.382 2.843 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000155096444 527803335 /nfs/dbraw/zinc/80/33/35/527803335.db2.gz PZPQNIWTJDOYDY-SFHLNBCPSA-N 1 3 344.547 2.517 20 0 EFADHO CC[N@H+]1CC[C@@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000155096444 527803342 /nfs/dbraw/zinc/80/33/42/527803342.db2.gz PZPQNIWTJDOYDY-SFHLNBCPSA-N 1 3 344.547 2.517 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)[C@H](C)C1 ZINC000155212822 527881922 /nfs/dbraw/zinc/88/19/22/527881922.db2.gz DFBONGJCFVWUFW-OCCSQVGLSA-N 1 3 331.382 2.843 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000176561738 527894675 /nfs/dbraw/zinc/89/46/75/527894675.db2.gz SVKOZEKSAYMVDX-QRVBRYPASA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000176561738 527894683 /nfs/dbraw/zinc/89/46/83/527894683.db2.gz SVKOZEKSAYMVDX-QRVBRYPASA-N 1 3 348.535 2.519 20 0 EFADHO CC1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000183329487 527971943 /nfs/dbraw/zinc/97/19/43/527971943.db2.gz XTNOQSRKYIMBTJ-KRWDZBQOSA-N 1 3 347.478 2.544 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000165949479 528038088 /nfs/dbraw/zinc/03/80/88/528038088.db2.gz ODTQPHKVDIXMLE-MAUKXSAKSA-N 1 3 349.475 2.651 20 0 EFADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000131390347 528112047 /nfs/dbraw/zinc/11/20/47/528112047.db2.gz BSUUQYPCLDPODD-CYBMUJFWSA-N 1 3 326.872 2.774 20 0 EFADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000131390347 528112050 /nfs/dbraw/zinc/11/20/50/528112050.db2.gz BSUUQYPCLDPODD-CYBMUJFWSA-N 1 3 326.872 2.774 20 0 EFADHO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000157797533 528898818 /nfs/dbraw/zinc/89/88/18/528898818.db2.gz HYAFFEZLZANMAD-IBGZPJMESA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+]1CCC(NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC000155057016 528982171 /nfs/dbraw/zinc/98/21/71/528982171.db2.gz AZUIBFMLWBAAGL-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171431078 528994944 /nfs/dbraw/zinc/99/49/44/528994944.db2.gz OAKSRERXGRBFKJ-LJQANCHMSA-N 1 3 329.488 2.773 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000154471499 529143406 /nfs/dbraw/zinc/14/34/06/529143406.db2.gz CHZFEMPPOPTBFY-MRXNPFEDSA-N 1 3 337.483 2.903 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000154512147 529143721 /nfs/dbraw/zinc/14/37/21/529143721.db2.gz UZQXSPYOBFNCAD-LJQANCHMSA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000129791536 529149526 /nfs/dbraw/zinc/14/95/26/529149526.db2.gz SEEKUQVXKZDNSE-RXVVDRJESA-N 1 3 344.547 2.966 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000129791536 529149527 /nfs/dbraw/zinc/14/95/27/529149527.db2.gz SEEKUQVXKZDNSE-RXVVDRJESA-N 1 3 344.547 2.966 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc2c(c1)OCCO2 ZINC000154254555 529161815 /nfs/dbraw/zinc/16/18/15/529161815.db2.gz VPOUYHCVIXHZDP-GOSISDBHSA-N 1 3 347.503 2.526 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165918987 529249170 /nfs/dbraw/zinc/24/91/70/529249170.db2.gz WINNTKLMZWVZBY-NHYWBVRUSA-N 1 3 327.856 2.592 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245865 534944260 /nfs/dbraw/zinc/94/42/60/534944260.db2.gz ZJLRQQDSZXTIEM-LPHOPBHVSA-N 1 3 346.519 2.841 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245865 534944265 /nfs/dbraw/zinc/94/42/65/534944265.db2.gz ZJLRQQDSZXTIEM-LPHOPBHVSA-N 1 3 346.519 2.841 20 0 EFADHO CC1(C)Cc2cc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc2O1 ZINC000414772831 534946796 /nfs/dbraw/zinc/94/67/96/534946796.db2.gz COPBIDOOQIOZSN-QGZVFWFLSA-N 1 3 330.472 2.587 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000361051905 534958358 /nfs/dbraw/zinc/95/83/58/534958358.db2.gz LLQCAXWBORCVML-YLJYHZDGSA-N 1 3 329.488 2.801 20 0 EFADHO CCCN1C[C@@H](C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1=O ZINC000421893790 534979460 /nfs/dbraw/zinc/97/94/60/534979460.db2.gz XFVOKEKIFCTWMM-IAGOWNOFSA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)N(C)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262675640 534993643 /nfs/dbraw/zinc/99/36/43/534993643.db2.gz AFTFVDRLPMNKCU-MRXNPFEDSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000356180415 535003459 /nfs/dbraw/zinc/00/34/59/535003459.db2.gz JVKANNIVVROHFQ-IBGZPJMESA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418454099 535026924 /nfs/dbraw/zinc/02/69/24/535026924.db2.gz AQQOIWNLKQINBF-GOSISDBHSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236597496 535061243 /nfs/dbraw/zinc/06/12/43/535061243.db2.gz RECZVNGZPCJZMS-IEBWSBKVSA-N 1 3 349.494 2.870 20 0 EFADHO CC(C)CN1CCCC[C@@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425896036 535073655 /nfs/dbraw/zinc/07/36/55/535073655.db2.gz MQOGDASZBNDZRT-QGZVFWFLSA-N 1 3 334.508 2.742 20 0 EFADHO CC(C)n1ccc(C[C@H](C)NCc2ccncc2OCC[NH+](C)C)n1 ZINC000343983891 535093277 /nfs/dbraw/zinc/09/32/77/535093277.db2.gz LNRKYUQCEHNTDO-INIZCTEOSA-N 1 3 345.491 2.520 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCCC1 ZINC000356280888 535106834 /nfs/dbraw/zinc/10/68/34/535106834.db2.gz NWJAWYMDACUUGN-CRAIPNDOSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)(C)c1ccc2c(c1)C[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414711176 535124367 /nfs/dbraw/zinc/12/43/67/535124367.db2.gz MGOYOGQVIMQUSM-INIZCTEOSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)CC2 ZINC000414711176 535124370 /nfs/dbraw/zinc/12/43/70/535124370.db2.gz MGOYOGQVIMQUSM-INIZCTEOSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000344636487 535165810 /nfs/dbraw/zinc/16/58/10/535165810.db2.gz GOZXHDISXJIBDC-AZUAARDMSA-N 1 3 345.531 2.647 20 0 EFADHO CC(C)[C@@H](CNC1CCN(Cc2ccccn2)CC1)[NH+]1CCCC1 ZINC000359850419 535191321 /nfs/dbraw/zinc/19/13/21/535191321.db2.gz AFCIMUGBARWZLY-HXUWFJFHSA-N 1 3 330.520 2.756 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418418675 535215234 /nfs/dbraw/zinc/21/52/34/535215234.db2.gz XTADXEPKGHRDIV-GOSISDBHSA-N 1 3 346.519 2.810 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1NCc1ccncc1OCC[NH+](C)C ZINC000344091221 535280425 /nfs/dbraw/zinc/28/04/25/535280425.db2.gz QYQJDBZUOVKSQQ-ZWKOTPCHSA-N 1 3 335.492 2.705 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000356722415 535361189 /nfs/dbraw/zinc/36/11/89/535361189.db2.gz CKCWVTRMOQMRGG-RTBURBONSA-N 1 3 346.519 2.529 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000349089381 535364144 /nfs/dbraw/zinc/36/41/44/535364144.db2.gz PQXRDGJYOYPMGY-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCN2C)CC1 ZINC000360244315 535498098 /nfs/dbraw/zinc/49/80/98/535498098.db2.gz ZVNOGEIYARIOJG-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418487005 535514657 /nfs/dbraw/zinc/51/46/57/535514657.db2.gz KCEVBESVDLYEAI-IBGZPJMESA-N 1 3 340.471 2.577 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](N)c1ccccc1 ZINC000418431228 535579048 /nfs/dbraw/zinc/57/90/48/535579048.db2.gz QKHRRNGTNPUNHQ-IPMKNSEASA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)ccc1OC ZINC000349062542 535594383 /nfs/dbraw/zinc/59/43/83/535594383.db2.gz MTOQYYLSORDWNH-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(C)ccc1OC ZINC000349062542 535594386 /nfs/dbraw/zinc/59/43/86/535594386.db2.gz MTOQYYLSORDWNH-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)cc1 ZINC000343592360 535606841 /nfs/dbraw/zinc/60/68/41/535606841.db2.gz CQAMGARPLNCPTL-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236874668 535670484 /nfs/dbraw/zinc/67/04/84/535670484.db2.gz UFTHKIGBISGMFF-LJQANCHMSA-N 1 3 347.503 2.584 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C)CC(C)C ZINC000341304592 535672918 /nfs/dbraw/zinc/67/29/18/535672918.db2.gz VFKLETQOGIOPPX-BPQIPLTHSA-N 1 3 338.540 2.525 20 0 EFADHO CCN1CCN(CCC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356429342 535698207 /nfs/dbraw/zinc/69/82/07/535698207.db2.gz QCRVPELWZGXBDF-UHFFFAOYSA-N 1 3 327.875 2.639 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193085560 535708670 /nfs/dbraw/zinc/70/86/70/535708670.db2.gz FTBWXZYGXAABFH-HNNXBMFYSA-N 1 3 348.516 2.766 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352831782 535730103 /nfs/dbraw/zinc/73/01/03/535730103.db2.gz CFQZPOZBIPIVEG-LBPRGKRZSA-N 1 3 335.439 2.883 20 0 EFADHO C[NH+](C)CCOc1cnccc1CN[C@H]1Cc2ccc(Cl)cc2C1 ZINC000344000151 535919444 /nfs/dbraw/zinc/91/94/44/535919444.db2.gz WEGCVWYQFXXXLZ-SFHVURJKSA-N 1 3 345.874 2.932 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000247100593 535945348 /nfs/dbraw/zinc/94/53/48/535945348.db2.gz IKDMSCNXUVTUJO-WMZOPIPTSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000247100593 535945353 /nfs/dbraw/zinc/94/53/53/535945353.db2.gz IKDMSCNXUVTUJO-WMZOPIPTSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000416887859 536006826 /nfs/dbraw/zinc/00/68/26/536006826.db2.gz OEFRNGJOZOBTOI-UHFFFAOYSA-N 1 3 346.519 2.860 20 0 EFADHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(F)cc1 ZINC000360208098 536026599 /nfs/dbraw/zinc/02/65/99/536026599.db2.gz JWOONILUIYZSJZ-IBGZPJMESA-N 1 3 343.446 2.920 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000346057264 536027115 /nfs/dbraw/zinc/02/71/15/536027115.db2.gz VKAVDUMYWQHCPK-HXUWFJFHSA-N 1 3 337.467 2.753 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417677536 536455189 /nfs/dbraw/zinc/45/51/89/536455189.db2.gz FXZXIRLSGORSGM-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000418663600 536470857 /nfs/dbraw/zinc/47/08/57/536470857.db2.gz XYWWNMPXELSKAK-IPMKNSEASA-N 1 3 344.503 2.592 20 0 EFADHO CN(Cc1cnn(CC(F)F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352889077 536485266 /nfs/dbraw/zinc/48/52/66/536485266.db2.gz WZSWKJUABFQPGI-UHFFFAOYSA-N 1 3 349.429 2.892 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCCC1 ZINC000421837649 536709908 /nfs/dbraw/zinc/70/99/08/536709908.db2.gz RQZGRJGXGQQIFQ-MRXNPFEDSA-N 1 3 335.492 2.849 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1OC ZINC000414773497 536756488 /nfs/dbraw/zinc/75/64/88/536756488.db2.gz DLLWZIJLHMOKEP-HOTGVXAUSA-N 1 3 334.460 2.534 20 0 EFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2c(c1)C[NH2+]C2 ZINC000261545876 545619614 /nfs/dbraw/zinc/61/96/14/545619614.db2.gz LXTMMYMAKOCRRU-FQEVSTJZSA-N 1 3 335.451 2.684 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccnn1-c1ccccc1 ZINC000281524274 545663076 /nfs/dbraw/zinc/66/30/76/545663076.db2.gz HYAIIIKTIBFHQA-WMZOPIPTSA-N 1 3 330.476 2.880 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@@H](C)c3ncc[nH]3)CC2)cc1 ZINC000285524996 545680129 /nfs/dbraw/zinc/68/01/29/545680129.db2.gz BJVJFYDKQHFEGN-HNNXBMFYSA-N 1 3 328.460 2.981 20 0 EFADHO CC(C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067004 545922377 /nfs/dbraw/zinc/92/23/77/545922377.db2.gz HLMJLQPAEASZIP-SJORKVTESA-N 1 3 330.472 2.952 20 0 EFADHO CC(C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000339067004 545922379 /nfs/dbraw/zinc/92/23/79/545922379.db2.gz HLMJLQPAEASZIP-SJORKVTESA-N 1 3 330.472 2.952 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000339236049 545924329 /nfs/dbraw/zinc/92/43/29/545924329.db2.gz WGELDYGFPFPFJH-MRXNPFEDSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000339236049 545924330 /nfs/dbraw/zinc/92/43/30/545924330.db2.gz WGELDYGFPFPFJH-MRXNPFEDSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000339254005 545925097 /nfs/dbraw/zinc/92/50/97/545925097.db2.gz HSGGLPJXYIURNJ-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000339254005 545925100 /nfs/dbraw/zinc/92/51/00/545925100.db2.gz HSGGLPJXYIURNJ-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344067321 545962455 /nfs/dbraw/zinc/96/24/55/545962455.db2.gz UCCOXCRUHAELMY-QGZVFWFLSA-N 1 3 335.492 2.824 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344067321 545962458 /nfs/dbraw/zinc/96/24/58/545962458.db2.gz UCCOXCRUHAELMY-QGZVFWFLSA-N 1 3 335.492 2.824 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000346692669 545976325 /nfs/dbraw/zinc/97/63/25/545976325.db2.gz IEUBXXMJJAMCEL-UHFFFAOYSA-N 1 3 342.443 2.599 20 0 EFADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@H]1CCCC[C@H]1O ZINC000351143185 546039710 /nfs/dbraw/zinc/03/97/10/546039710.db2.gz KDQZVEQNUKULLV-UJMXGEILSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@H]1CCCC[C@H]1O ZINC000351143185 546039714 /nfs/dbraw/zinc/03/97/14/546039714.db2.gz KDQZVEQNUKULLV-UJMXGEILSA-N 1 3 340.552 2.731 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352089495 546047214 /nfs/dbraw/zinc/04/72/14/546047214.db2.gz MRJRKQGPCTWTPW-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000357289342 546102290 /nfs/dbraw/zinc/10/22/90/546102290.db2.gz AUPRJAXDNSJNND-LPHOPBHVSA-N 1 3 347.503 2.679 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000357289342 546102296 /nfs/dbraw/zinc/10/22/96/546102296.db2.gz AUPRJAXDNSJNND-LPHOPBHVSA-N 1 3 347.503 2.679 20 0 EFADHO CC(C)N(C)C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390971001 546163352 /nfs/dbraw/zinc/16/33/52/546163352.db2.gz QZDUDOJEOPHSRI-UXHICEINSA-N 1 3 347.547 2.578 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398127674 546170710 /nfs/dbraw/zinc/17/07/10/546170710.db2.gz ILSQKKWKXSTXLL-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414931955 546194347 /nfs/dbraw/zinc/19/43/47/546194347.db2.gz VCWLKPOLXDRXHT-UBHSHLNASA-N 1 3 339.867 2.925 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414931955 546194351 /nfs/dbraw/zinc/19/43/51/546194351.db2.gz VCWLKPOLXDRXHT-UBHSHLNASA-N 1 3 339.867 2.925 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417282320 546208138 /nfs/dbraw/zinc/20/81/38/546208138.db2.gz AEKBXWLBNITLTB-KXBFYZLASA-N 1 3 342.487 2.869 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417282318 546208190 /nfs/dbraw/zinc/20/81/90/546208190.db2.gz AEKBXWLBNITLTB-DNVCBOLYSA-N 1 3 342.487 2.869 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417629974 546210007 /nfs/dbraw/zinc/21/00/07/546210007.db2.gz QOFJVPVLZTXKAP-USXIJHARSA-N 1 3 332.492 2.685 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418186087 546214301 /nfs/dbraw/zinc/21/43/01/546214301.db2.gz RNOZEGUONWRQHY-DFGXFYAUSA-N 1 3 332.492 2.555 20 0 EFADHO C[C@H](CCN1CCC2(C1)CCOCC2)[N@@H+]1CCC2(C1)CCOCC2 ZINC000431603973 546227282 /nfs/dbraw/zinc/22/72/82/546227282.db2.gz MNQDOOQUZMIFKV-GOSISDBHSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@H](CCN1CCC2(C1)CCOCC2)[N@H+]1CCC2(C1)CCOCC2 ZINC000431603973 546227284 /nfs/dbraw/zinc/22/72/84/546227284.db2.gz MNQDOOQUZMIFKV-GOSISDBHSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@H](CC[N@@H+]1CCC2(C1)CCOCC2)N1CCC2(C1)CCOCC2 ZINC000431603973 546227288 /nfs/dbraw/zinc/22/72/88/546227288.db2.gz MNQDOOQUZMIFKV-GOSISDBHSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@H](CC[N@H+]1CCC2(C1)CCOCC2)N1CCC2(C1)CCOCC2 ZINC000431603973 546227290 /nfs/dbraw/zinc/22/72/90/546227290.db2.gz MNQDOOQUZMIFKV-GOSISDBHSA-N 1 3 336.520 2.770 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC1CC[NH2+]CC1 ZINC000584616963 546370199 /nfs/dbraw/zinc/37/01/99/546370199.db2.gz RSCBCJINTPKIMJ-UHFFFAOYSA-N 1 3 344.503 2.536 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H]1c1cccs1 ZINC000655448945 546450771 /nfs/dbraw/zinc/45/07/71/546450771.db2.gz BCAICPKIKTWKNU-LORHWOILSA-N 1 3 347.528 2.637 20 0 EFADHO c1coc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684777 546532170 /nfs/dbraw/zinc/53/21/70/546532170.db2.gz WNKQNOAKTYLOCM-RTBURBONSA-N 1 3 347.503 2.650 20 0 EFADHO c1coc([C@@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684777 546532175 /nfs/dbraw/zinc/53/21/75/546532175.db2.gz WNKQNOAKTYLOCM-RTBURBONSA-N 1 3 347.503 2.650 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)CC(C)C ZINC000655687222 546532484 /nfs/dbraw/zinc/53/24/84/546532484.db2.gz MXAOUVBEELMEKT-MOPGFXCFSA-N 1 3 325.541 2.586 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CC(C)C ZINC000655687585 546533641 /nfs/dbraw/zinc/53/36/41/546533641.db2.gz QYRGUNSDBNOTJR-PMACEKPBSA-N 1 3 339.568 2.976 20 0 EFADHO CCOCc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655688101 546534255 /nfs/dbraw/zinc/53/42/55/546534255.db2.gz KVBDQLMHDJZEHP-FQEVSTJZSA-N 1 3 332.488 2.956 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655690334 546534963 /nfs/dbraw/zinc/53/49/63/546534963.db2.gz MHCOLNMWARIRHW-VQTJNVASSA-N 1 3 331.504 2.522 20 0 EFADHO Brc1csc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655694483 546537243 /nfs/dbraw/zinc/53/72/43/546537243.db2.gz HUUPPJDJNJBCQQ-ZDUSSCGKSA-N 1 3 345.306 2.854 20 0 EFADHO c1coc([C@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)N2CCCCC2)c1 ZINC000655693313 546537266 /nfs/dbraw/zinc/53/72/66/546537266.db2.gz XETUTXUHBQMSRZ-OALUTQOASA-N 1 3 347.503 2.650 20 0 EFADHO Brc1csc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655694481 546538006 /nfs/dbraw/zinc/53/80/06/546538006.db2.gz HUUPPJDJNJBCQQ-CYBMUJFWSA-N 1 3 345.306 2.854 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698217 546539224 /nfs/dbraw/zinc/53/92/24/546539224.db2.gz ZZYWAMRHTILHRI-WOJBJXKFSA-N 1 3 349.494 2.661 20 0 EFADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655711846 546544669 /nfs/dbraw/zinc/54/46/69/546544669.db2.gz OCPFBUVECJHSRB-MJGOQNOKSA-N 1 3 337.552 2.730 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2ccc(C)cc2)nc1C ZINC000655746172 546563392 /nfs/dbraw/zinc/56/33/92/546563392.db2.gz OPWZATWQZVFXBA-HXUWFJFHSA-N 1 3 344.503 2.936 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000655751004 546565750 /nfs/dbraw/zinc/56/57/50/546565750.db2.gz IWXORQGSGMMIEE-WFXMLNOXSA-N 1 3 349.563 2.872 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000655751002 546565947 /nfs/dbraw/zinc/56/59/47/546565947.db2.gz IWXORQGSGMMIEE-WAOWUJCRSA-N 1 3 349.563 2.872 20 0 EFADHO C[NH+](C)CCc1ccc(NC2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000655750661 546565978 /nfs/dbraw/zinc/56/59/78/546565978.db2.gz UPOLRCMEPIZBHY-HXUWFJFHSA-N 1 3 331.504 2.846 20 0 EFADHO CC[N@H+](CCCNC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655792473 546584298 /nfs/dbraw/zinc/58/42/98/546584298.db2.gz JGVVNVSLODFHHS-HXUWFJFHSA-N 1 3 337.552 2.874 20 0 EFADHO CC[N@@H+](CCCNC1CCN([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000655792473 546584302 /nfs/dbraw/zinc/58/43/02/546584302.db2.gz JGVVNVSLODFHHS-HXUWFJFHSA-N 1 3 337.552 2.874 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655856230 546611042 /nfs/dbraw/zinc/61/10/42/546611042.db2.gz LYKCHPRVYZSCEU-VQTJNVASSA-N 1 3 331.504 2.734 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000655908322 546632281 /nfs/dbraw/zinc/63/22/81/546632281.db2.gz URGBUONJQQTPPS-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655909321 546633961 /nfs/dbraw/zinc/63/39/61/546633961.db2.gz GTYQZOREYDUXCU-WBVHZDCISA-N 1 3 346.450 2.610 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CCc2noc3ccccc32)C1 ZINC000655942735 546649827 /nfs/dbraw/zinc/64/98/27/546649827.db2.gz YAXQEDSPXDWMIO-DKSSEZFCSA-N 1 3 329.444 2.731 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000655968259 546655046 /nfs/dbraw/zinc/65/50/46/546655046.db2.gz RNHHKRIDOBINIY-GOSISDBHSA-N 1 3 346.519 2.982 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655972993 546655653 /nfs/dbraw/zinc/65/56/53/546655653.db2.gz BUJROFPUDNYIPF-RBUKOAKNSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@H](O)CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000656279260 546762964 /nfs/dbraw/zinc/76/29/64/546762964.db2.gz NCRIOOKYBPZQKU-INIZCTEOSA-N 1 3 331.504 2.562 20 0 EFADHO CC(C)(C)[C@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656467873 546810698 /nfs/dbraw/zinc/81/06/98/546810698.db2.gz GKWXAWDTMYBCLK-FUHWJXTLSA-N 1 3 327.476 2.846 20 0 EFADHO CC(C)(C)[C@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656467873 546810702 /nfs/dbraw/zinc/81/07/02/546810702.db2.gz GKWXAWDTMYBCLK-FUHWJXTLSA-N 1 3 327.476 2.846 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656500030 546821237 /nfs/dbraw/zinc/82/12/37/546821237.db2.gz TXQVQWIPKWAHJG-OXQOHEQNSA-N 1 3 325.456 2.805 20 0 EFADHO CN(CCc1cccc(Cl)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000656617929 546865355 /nfs/dbraw/zinc/86/53/55/546865355.db2.gz NDJHAIJAQDUSRH-IBGZPJMESA-N 1 3 335.923 2.983 20 0 EFADHO CN(CCc1cccc(Cl)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000656617929 546865358 /nfs/dbraw/zinc/86/53/58/546865358.db2.gz NDJHAIJAQDUSRH-IBGZPJMESA-N 1 3 335.923 2.983 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784419 546923133 /nfs/dbraw/zinc/92/31/33/546923133.db2.gz AXZUSPRRWNCTKG-IBGZPJMESA-N 1 3 328.504 2.893 20 0 EFADHO C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)c2cc(F)ccc2CN1 ZINC000656786171 546924500 /nfs/dbraw/zinc/92/45/00/546924500.db2.gz LPYMBAWKELLUNA-AWEZNQCLSA-N 1 3 325.431 2.970 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(N)CCCC1 ZINC000656789507 546925476 /nfs/dbraw/zinc/92/54/76/546925476.db2.gz PFLVDLWLRQVYDB-LBPRGKRZSA-N 1 3 339.867 2.927 20 0 EFADHO CN(c1ccccc1CN1CCC[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000657215708 547067776 /nfs/dbraw/zinc/06/77/76/547067776.db2.gz XVVLMDDYAHWEJV-NQIIRXRSSA-N 1 3 343.515 2.828 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC(C)(C)NC(C)(C)C2)cn1 ZINC000657293144 547089225 /nfs/dbraw/zinc/08/92/25/547089225.db2.gz UHBPCVNPNDPVDB-WMLDXEAASA-N 1 3 334.508 2.879 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CNC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000657293144 547089231 /nfs/dbraw/zinc/08/92/31/547089231.db2.gz UHBPCVNPNDPVDB-WMLDXEAASA-N 1 3 334.508 2.879 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657311475 547103768 /nfs/dbraw/zinc/10/37/68/547103768.db2.gz ZPMCBJBGADNBES-ZDUSSCGKSA-N 1 3 345.409 2.543 20 0 EFADHO c1c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)nc2ccccn12 ZINC000657612730 547228772 /nfs/dbraw/zinc/22/87/72/547228772.db2.gz QHGFJPYHVCTNCE-UHFFFAOYSA-N 1 3 335.455 2.731 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1C1CC1 ZINC000657613677 547229428 /nfs/dbraw/zinc/22/94/28/547229428.db2.gz PCSCIDHAEYIFOD-QFBILLFUSA-N 1 3 328.504 2.508 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CN1C1CC1 ZINC000657613678 547229770 /nfs/dbraw/zinc/22/97/70/547229770.db2.gz PCSCIDHAEYIFOD-VQIMIIECSA-N 1 3 328.504 2.508 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)c1 ZINC000657869406 547307442 /nfs/dbraw/zinc/30/74/42/547307442.db2.gz VXDDOEGIYUTMEE-QYZOEREBSA-N 1 3 343.515 2.892 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000657972178 547325710 /nfs/dbraw/zinc/32/57/10/547325710.db2.gz VOMCNFYMAPYSLG-GSEOLPGOSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657972178 547325713 /nfs/dbraw/zinc/32/57/13/547325713.db2.gz VOMCNFYMAPYSLG-GSEOLPGOSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657972178 547325716 /nfs/dbraw/zinc/32/57/16/547325716.db2.gz VOMCNFYMAPYSLG-GSEOLPGOSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000657972179 547325904 /nfs/dbraw/zinc/32/59/04/547325904.db2.gz VOMCNFYMAPYSLG-RSPOEFSDSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657972179 547325916 /nfs/dbraw/zinc/32/59/16/547325916.db2.gz VOMCNFYMAPYSLG-RSPOEFSDSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657972179 547325921 /nfs/dbraw/zinc/32/59/21/547325921.db2.gz VOMCNFYMAPYSLG-RSPOEFSDSA-N 1 3 339.487 2.557 20 0 EFADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1nccn1C ZINC000658164480 547377294 /nfs/dbraw/zinc/37/72/94/547377294.db2.gz DOZNIMHJQLHSHD-SFHVURJKSA-N 1 3 327.476 2.768 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168563 547378790 /nfs/dbraw/zinc/37/87/90/547378790.db2.gz XPWKGRTWWBGLES-IBGZPJMESA-N 1 3 339.487 2.694 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320132 547418268 /nfs/dbraw/zinc/41/82/68/547418268.db2.gz NNSPLAYZACNOIC-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320132 547418273 /nfs/dbraw/zinc/41/82/73/547418273.db2.gz NNSPLAYZACNOIC-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320135 547418488 /nfs/dbraw/zinc/41/84/88/547418488.db2.gz NNSPLAYZACNOIC-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320135 547418491 /nfs/dbraw/zinc/41/84/91/547418491.db2.gz NNSPLAYZACNOIC-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO c1csc([C@H](NCC2CC[NH+](CC3CC3)CC2)c2nnc[nH]2)c1 ZINC000658353765 547424765 /nfs/dbraw/zinc/42/47/65/547424765.db2.gz RPLJSGFBZNMSFF-INIZCTEOSA-N 1 3 331.489 2.667 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747976 547665028 /nfs/dbraw/zinc/66/50/28/547665028.db2.gz CYGALZSPVWJCSL-KBPBESRZSA-N 1 3 345.443 2.685 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673438602 547897845 /nfs/dbraw/zinc/89/78/45/547897845.db2.gz XHLGWFQQOTYOFK-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1CC[NH+](C)CC1 ZINC000673670757 547931464 /nfs/dbraw/zinc/93/14/64/547931464.db2.gz PCKWYAYJPJGOMY-AWEZNQCLSA-N 1 3 343.471 2.955 20 0 EFADHO COC[C@H]1CCCN1Cc1ccccc1C[N@@H+]1CCC[C@@H]1COC ZINC000674500346 548099706 /nfs/dbraw/zinc/09/97/06/548099706.db2.gz VVJOYZQNVDQNJW-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCCN1Cc1ccccc1C[N@H+]1CCC[C@@H]1COC ZINC000674500346 548099709 /nfs/dbraw/zinc/09/97/09/548099709.db2.gz VVJOYZQNVDQNJW-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675176714 548220110 /nfs/dbraw/zinc/22/01/10/548220110.db2.gz IHZQVUOPMWAUJJ-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675176714 548220112 /nfs/dbraw/zinc/22/01/12/548220112.db2.gz IHZQVUOPMWAUJJ-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000675199384 548228866 /nfs/dbraw/zinc/22/88/66/548228866.db2.gz IXTAKGWYFPVNNV-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C([C@@H]1CCCO1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000675882644 548367708 /nfs/dbraw/zinc/36/77/08/548367708.db2.gz TXKRIXLMXHUILH-FQEVSTJZSA-N 1 3 335.536 2.626 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)COC2 ZINC000675876831 548367942 /nfs/dbraw/zinc/36/79/42/548367942.db2.gz ZXQVDLHIWBXCKE-KXBFYZLASA-N 1 3 329.488 2.536 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000676001844 548390780 /nfs/dbraw/zinc/39/07/80/548390780.db2.gz OANLNGBDHGPVMN-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000676542934 548495697 /nfs/dbraw/zinc/49/56/97/548495697.db2.gz VQQZYHHEJRWARX-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676542934 548495699 /nfs/dbraw/zinc/49/56/99/548495699.db2.gz VQQZYHHEJRWARX-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1COCCCN1Cc1cccc(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000676713832 548527468 /nfs/dbraw/zinc/52/74/68/548527468.db2.gz SHWNTPVKWMMFJB-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCCN1Cc1cccc(C[N@H+]2CCCOC[C@H]2C)c1 ZINC000676713832 548527471 /nfs/dbraw/zinc/52/74/71/548527471.db2.gz SHWNTPVKWMMFJB-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc(N(C)C)c3)CC2)CC1 ZINC000677738595 548760855 /nfs/dbraw/zinc/76/08/55/548760855.db2.gz QGIMMWDVADCSNN-UHFFFAOYSA-N 1 3 344.547 2.743 20 0 EFADHO Cc1cc(C)cc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000677904649 548791760 /nfs/dbraw/zinc/79/17/60/548791760.db2.gz YJFMNNDSMBVNIH-PZJWPPBQSA-N 1 3 345.531 2.640 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000678216794 548866695 /nfs/dbraw/zinc/86/66/95/548866695.db2.gz GRXWBKPMXFTXOD-IBGZPJMESA-N 1 3 331.504 2.687 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000678286086 548890350 /nfs/dbraw/zinc/89/03/50/548890350.db2.gz ZVBYZFKRMVVMCI-BTPWVNNRSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC[C@@H]1N1CCN(C)CC1 ZINC000678286086 548890354 /nfs/dbraw/zinc/89/03/54/548890354.db2.gz ZVBYZFKRMVVMCI-BTPWVNNRSA-N 1 3 331.479 2.797 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000678285543 548891049 /nfs/dbraw/zinc/89/10/49/548891049.db2.gz MCIIETDUEYKUKI-HXUWFJFHSA-N 1 3 345.531 2.791 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000678285543 548891051 /nfs/dbraw/zinc/89/10/51/548891051.db2.gz MCIIETDUEYKUKI-HXUWFJFHSA-N 1 3 345.531 2.791 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000678339493 548902387 /nfs/dbraw/zinc/90/23/87/548902387.db2.gz NNIXBCNTKTXPRF-APWZRJJASA-N 1 3 337.471 2.716 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000678339493 548902391 /nfs/dbraw/zinc/90/23/91/548902391.db2.gz NNIXBCNTKTXPRF-APWZRJJASA-N 1 3 337.471 2.716 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678598843 548959406 /nfs/dbraw/zinc/95/94/06/548959406.db2.gz OHEDFEQHSBHSRW-GUDVDZBRSA-N 1 3 336.426 2.920 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000678603379 548960370 /nfs/dbraw/zinc/96/03/70/548960370.db2.gz SXNXLNQMFISMDD-DLBZAZTESA-N 1 3 342.491 2.681 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000679045337 549044473 /nfs/dbraw/zinc/04/44/73/549044473.db2.gz ZFLFENFTLFGVIG-XKQJLSEDSA-N 1 3 344.421 2.841 20 0 EFADHO CC[NH+]1CCC(CN[C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000679340982 549106063 /nfs/dbraw/zinc/10/60/63/549106063.db2.gz VKSQGVIIOCUVQS-IBGZPJMESA-N 1 3 330.451 2.970 20 0 EFADHO c1ncn(CCC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000679723179 549190377 /nfs/dbraw/zinc/19/03/77/549190377.db2.gz JHEBQLPHLHUTKX-XUVXKRRUSA-N 1 3 339.487 2.559 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680269987 549285360 /nfs/dbraw/zinc/28/53/60/549285360.db2.gz NHJJMJDZRORYQX-XUVXKRRUSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680269987 549285364 /nfs/dbraw/zinc/28/53/64/549285364.db2.gz NHJJMJDZRORYQX-XUVXKRRUSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681491449 549548239 /nfs/dbraw/zinc/54/82/39/549548239.db2.gz IZJKPHTWIIQCSZ-ZWKOTPCHSA-N 1 3 331.504 2.686 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccccc1OCC(=O)NC ZINC000682029740 549682454 /nfs/dbraw/zinc/68/24/54/549682454.db2.gz URYFADGLGXSINK-SFHVURJKSA-N 1 3 347.503 2.728 20 0 EFADHO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCN(C)C)cc2)c1 ZINC000682420616 549736823 /nfs/dbraw/zinc/73/68/23/549736823.db2.gz XOTUGZKVYOIFRV-FQEVSTJZSA-N 1 3 342.483 2.629 20 0 EFADHO CC(C)[C@@H](C[NH2+]Cc1ccc(OCCN(C)C)cc1)c1ccnn1C ZINC000682616726 549774533 /nfs/dbraw/zinc/77/45/33/549774533.db2.gz IEIGNIOKQKNHPA-LJQANCHMSA-N 1 3 344.503 2.890 20 0 EFADHO CC(C)OCC[C@@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000682649092 549782097 /nfs/dbraw/zinc/78/20/97/549782097.db2.gz KROSVQWXSNCUTC-LJQANCHMSA-N 1 3 326.525 2.750 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000683078392 549847564 /nfs/dbraw/zinc/84/75/64/549847564.db2.gz DUENHGXYHGUYPU-RBUKOAKNSA-N 1 3 331.435 2.774 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000683474813 549904102 /nfs/dbraw/zinc/90/41/02/549904102.db2.gz PNLXQLPBNQDUBP-IBGZPJMESA-N 1 3 340.467 2.980 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCNc4ccccc43)C2)CC1 ZINC000683690340 549931992 /nfs/dbraw/zinc/93/19/92/549931992.db2.gz HVBCZAOHJLOLMH-JXFKEZNVSA-N 1 3 328.504 2.692 20 0 EFADHO c1c2ccccc2[nH]c1C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000683926204 549964770 /nfs/dbraw/zinc/96/47/70/549964770.db2.gz BOOAQFAKHRXPEW-UHFFFAOYSA-N 1 3 349.482 2.865 20 0 EFADHO c1ncn(-c2ccccc2CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000684410396 550036345 /nfs/dbraw/zinc/03/63/45/550036345.db2.gz VWGJQGCBWRRAOA-LJQANCHMSA-N 1 3 347.466 2.879 20 0 EFADHO c1ncn(-c2ccccc2CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000684410396 550036346 /nfs/dbraw/zinc/03/63/46/550036346.db2.gz VWGJQGCBWRRAOA-LJQANCHMSA-N 1 3 347.466 2.879 20 0 EFADHO C[C@H](N[C@@H](CO)c1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684561159 550058822 /nfs/dbraw/zinc/05/88/22/550058822.db2.gz XZAQTWMCTOQVJU-WFASDCNBSA-N 1 3 346.393 2.939 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684826209 550100443 /nfs/dbraw/zinc/10/04/43/550100443.db2.gz VMKPVJYFLQSLQL-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684826209 550100445 /nfs/dbraw/zinc/10/04/45/550100445.db2.gz VMKPVJYFLQSLQL-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CC1CC(c2ccccc2)C1 ZINC000684967009 550119598 /nfs/dbraw/zinc/11/95/98/550119598.db2.gz RVNUVHKOBFTCFL-UHFFFAOYSA-N 1 3 331.504 2.522 20 0 EFADHO CN(C)CC1(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC1 ZINC000685011218 550126141 /nfs/dbraw/zinc/12/61/41/550126141.db2.gz QEZLODPZLXIKID-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[NH+]1CCCC1 ZINC000685195179 550135729 /nfs/dbraw/zinc/13/57/29/550135729.db2.gz DXUQDTQXVHTOPE-UHFFFAOYSA-N 1 3 338.540 2.770 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000685463168 550155977 /nfs/dbraw/zinc/15/59/77/550155977.db2.gz WAWZXJAKIKROII-LJQANCHMSA-N 1 3 341.499 2.743 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000685463168 550155978 /nfs/dbraw/zinc/15/59/78/550155978.db2.gz WAWZXJAKIKROII-LJQANCHMSA-N 1 3 341.499 2.743 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1C1CC1 ZINC000753940826 575363770 /nfs/dbraw/zinc/36/37/70/575363770.db2.gz OCFKJGPVPZHFHK-NALMEZQBSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CN1C1CC1 ZINC000753944495 575364293 /nfs/dbraw/zinc/36/42/93/575364293.db2.gz BDEAVCUARNEOES-QAPCUYQASA-N 1 3 344.503 2.515 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000757727373 575851795 /nfs/dbraw/zinc/85/17/95/575851795.db2.gz HIRRRJHSFCXOOY-RMFNQSEZSA-N 1 3 348.535 2.565 20 0 EFADHO CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000764462895 576460488 /nfs/dbraw/zinc/46/04/88/576460488.db2.gz HHLJHPCZWYFFPK-FXAWDEMLSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764805655 576505853 /nfs/dbraw/zinc/50/58/53/576505853.db2.gz IGVDFSNPKFWHDM-QUCCMNQESA-N 1 3 333.520 2.596 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764805656 576506103 /nfs/dbraw/zinc/50/61/03/576506103.db2.gz IGVDFSNPKFWHDM-UYAOXDASSA-N 1 3 333.520 2.596 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764922441 576523666 /nfs/dbraw/zinc/52/36/66/576523666.db2.gz UQWODWSSTLLLCG-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@H](CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000765118373 577008702 /nfs/dbraw/zinc/00/87/02/577008702.db2.gz BWXSUSPXQSMKOW-SVFBPWRDSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000765118373 577008705 /nfs/dbraw/zinc/00/87/05/577008705.db2.gz BWXSUSPXQSMKOW-SVFBPWRDSA-N 1 3 345.531 2.597 20 0 EFADHO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000765631246 577061126 /nfs/dbraw/zinc/06/11/26/577061126.db2.gz QEJFYZDIANOLCW-DOTOQJQBSA-N 1 3 349.475 2.508 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000766476799 577156197 /nfs/dbraw/zinc/15/61/97/577156197.db2.gz DJIJGYSCIISLBL-KCLUMXDGSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000766476799 577156200 /nfs/dbraw/zinc/15/62/00/577156200.db2.gz DJIJGYSCIISLBL-KCLUMXDGSA-N 1 3 345.531 2.738 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000766535953 577163467 /nfs/dbraw/zinc/16/34/67/577163467.db2.gz NUFCSGYJGPXWSS-APWZRJJASA-N 1 3 330.476 2.880 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(C2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000766881107 577186297 /nfs/dbraw/zinc/18/62/97/577186297.db2.gz ZRLWQLMTIHVINF-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772201295 581294879 /nfs/dbraw/zinc/29/48/79/581294879.db2.gz VIKDUXKCOSEBEF-MSOLQXFVSA-N 1 3 340.895 2.806 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2CCOC2=O)CC1)CC(C)C ZINC000773730856 581458853 /nfs/dbraw/zinc/45/88/53/581458853.db2.gz KCUHGPPUFXZEAS-UHFFFAOYSA-N 1 3 325.497 2.519 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2CCOC2=O)CC1)CC(C)C ZINC000773730856 581458854 /nfs/dbraw/zinc/45/88/54/581458854.db2.gz KCUHGPPUFXZEAS-UHFFFAOYSA-N 1 3 325.497 2.519 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825326402 609333491 /nfs/dbraw/zinc/33/34/91/609333491.db2.gz DEAHTGBQTHJTJH-ZDUSSCGKSA-N 1 3 346.454 2.778 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001691354498 1248688503 /nfs/dbraw/zinc/68/85/03/1248688503.db2.gz URAVLPBKEWLHMC-INIZCTEOSA-N 1 3 341.446 2.758 20 0 EFADHO CCCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957364 1249739185 /nfs/dbraw/zinc/73/91/85/1249739185.db2.gz JIFDFPMNVSIEMN-GOSISDBHSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957364 1249739195 /nfs/dbraw/zinc/73/91/95/1249739195.db2.gz JIFDFPMNVSIEMN-GOSISDBHSA-N 1 3 327.488 2.533 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001167901719 1249982111 /nfs/dbraw/zinc/98/21/11/1249982111.db2.gz XLTMHWHEXUMZQV-OAHLLOKOSA-N 1 3 334.508 2.819 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929024 1250349555 /nfs/dbraw/zinc/34/95/55/1250349555.db2.gz KLNVFSGBLRQASO-QWHCGFSZSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929024 1250349561 /nfs/dbraw/zinc/34/95/61/1250349561.db2.gz KLNVFSGBLRQASO-QWHCGFSZSA-N 1 3 347.286 2.665 20 0 EFADHO Cc1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)n(C)n1 ZINC000850515217 1250519091 /nfs/dbraw/zinc/51/90/91/1250519091.db2.gz UJMNMQQXUPKFSZ-MRXNPFEDSA-N 1 3 327.476 2.686 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613066 1250867712 /nfs/dbraw/zinc/86/77/12/1250867712.db2.gz FLLKCYGKASEONX-JSGCOSHPSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613066 1250867722 /nfs/dbraw/zinc/86/77/22/1250867722.db2.gz FLLKCYGKASEONX-JSGCOSHPSA-N 1 3 347.286 2.665 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003941105 1265564777 /nfs/dbraw/zinc/56/47/77/1265564777.db2.gz UWAXUJTXFTYQEL-AEFFLSMTSA-N 1 3 341.515 2.970 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001484059632 1252123650 /nfs/dbraw/zinc/12/36/50/1252123650.db2.gz WFZGAWGNSARJOV-SFHVURJKSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003974797 1265627121 /nfs/dbraw/zinc/62/71/21/1265627121.db2.gz KJUSXYYIMXTDIM-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003974797 1265627122 /nfs/dbraw/zinc/62/71/22/1265627122.db2.gz KJUSXYYIMXTDIM-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001484111527 1252279694 /nfs/dbraw/zinc/27/96/94/1252279694.db2.gz FQCORWMOENDDFF-CTNGQTDRSA-N 1 3 345.531 2.909 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732712 1252332719 /nfs/dbraw/zinc/33/27/19/1252332719.db2.gz ZCDGPKGGYZQONU-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732712 1252332724 /nfs/dbraw/zinc/33/27/24/1252332724.db2.gz ZCDGPKGGYZQONU-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC001106910777 1252432727 /nfs/dbraw/zinc/43/27/27/1252432727.db2.gz OGOPIUUHUMJEOZ-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106910811 1252440568 /nfs/dbraw/zinc/44/05/68/1252440568.db2.gz POWCQLKSIJPFPN-KZNAEPCWSA-N 1 3 325.541 2.695 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)(C)C ZINC001484411748 1252555484 /nfs/dbraw/zinc/55/54/84/1252555484.db2.gz SPMRPFJBKIFOQJ-KDURUIRLSA-N 1 3 343.515 2.555 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(C)(C)C ZINC001484411748 1252555491 /nfs/dbraw/zinc/55/54/91/1252555491.db2.gz SPMRPFJBKIFOQJ-KDURUIRLSA-N 1 3 343.515 2.555 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001484414645 1252564528 /nfs/dbraw/zinc/56/45/28/1252564528.db2.gz WPGBPDKBLAACGU-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001484414645 1252564534 /nfs/dbraw/zinc/56/45/34/1252564534.db2.gz WPGBPDKBLAACGU-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2)CC1 ZINC001484727694 1252817635 /nfs/dbraw/zinc/81/76/35/1252817635.db2.gz UFTULQTUYUOHRJ-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001484727694 1252817641 /nfs/dbraw/zinc/81/76/41/1252817641.db2.gz UFTULQTUYUOHRJ-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001484745802 1252860105 /nfs/dbraw/zinc/86/01/05/1252860105.db2.gz TYYFYKQHOTWDAZ-UHFFFAOYSA-N 1 3 337.533 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cs1 ZINC001484745802 1252860117 /nfs/dbraw/zinc/86/01/17/1252860117.db2.gz TYYFYKQHOTWDAZ-UHFFFAOYSA-N 1 3 337.533 2.821 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccccn1)[NH+]1CCCCCC1 ZINC001484760162 1252880015 /nfs/dbraw/zinc/88/00/15/1252880015.db2.gz COYVUWNBIZZRLQ-GOSISDBHSA-N 1 3 346.519 2.626 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccccn1)[NH+]1CCCCCC1 ZINC001484760163 1252880060 /nfs/dbraw/zinc/88/00/60/1252880060.db2.gz COYVUWNBIZZRLQ-SFHVURJKSA-N 1 3 346.519 2.626 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995798890 1254708977 /nfs/dbraw/zinc/70/89/77/1254708977.db2.gz PRCUJMWKSYDOIP-IRXDYDNUSA-N 1 3 349.544 2.948 20 0 EFADHO CC(C)(C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCC1 ZINC000995825355 1254745562 /nfs/dbraw/zinc/74/55/62/1254745562.db2.gz UMZPSNADGYUICO-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995878288 1254809184 /nfs/dbraw/zinc/80/91/84/1254809184.db2.gz FAJLLLQAZIYGQQ-OALUTQOASA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)cc1 ZINC000995891862 1254814198 /nfs/dbraw/zinc/81/41/98/1254814198.db2.gz DQJIKHBISGFNBF-SFHVURJKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)c1 ZINC000995892978 1254815389 /nfs/dbraw/zinc/81/53/89/1254815389.db2.gz GPNBCTINLDHGCN-RTBURBONSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)cc1 ZINC000995897561 1254821699 /nfs/dbraw/zinc/82/16/99/1254821699.db2.gz RTYRXWZXNXUXOH-RTBURBONSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cccc(F)c3)C(C)(C)C2)CCC1 ZINC000995882785 1254830346 /nfs/dbraw/zinc/83/03/46/1254830346.db2.gz ATBYZGZDIQSVGY-QGZVFWFLSA-N 1 3 347.478 2.637 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CCC1 ZINC000995917723 1254842154 /nfs/dbraw/zinc/84/21/54/1254842154.db2.gz MIIYVFUWEUWFFE-QGZVFWFLSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](NCc2ccccc2F)C(C)(C)C1)[NH+](C)C ZINC000995929338 1254846868 /nfs/dbraw/zinc/84/68/68/1254846868.db2.gz VRFXOAMORCKARP-MSOLQXFVSA-N 1 3 349.494 2.739 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)N(C)C ZINC000995929347 1254847329 /nfs/dbraw/zinc/84/73/29/1254847329.db2.gz VRSHUUOKULQZAZ-ROUUACIJSA-N 1 3 349.494 2.739 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995929958 1254849146 /nfs/dbraw/zinc/84/91/46/1254849146.db2.gz XNPVFWPEHJUFRK-MOPGFXCFSA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)N(C)C ZINC000995930059 1254850084 /nfs/dbraw/zinc/85/00/84/1254850084.db2.gz YYQZZXBQQUTZPH-SJORKVTESA-N 1 3 337.552 2.835 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995908213 1254851452 /nfs/dbraw/zinc/85/14/52/1254851452.db2.gz XVWSPIDLDGFBQH-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CCC1 ZINC000995914822 1254853042 /nfs/dbraw/zinc/85/30/42/1254853042.db2.gz GDHGVRJJEZPFJI-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C(C)(C)C1)N(C)C ZINC000995946152 1254860912 /nfs/dbraw/zinc/86/09/12/1254860912.db2.gz GOCVDFHXTIYICD-QZTJIDSGSA-N 1 3 349.494 2.535 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C(C)(C)C1)N(C)C ZINC000995946078 1254860944 /nfs/dbraw/zinc/86/09/44/1254860944.db2.gz FZADPMFFPBYJKA-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1)N(C)C ZINC000995934432 1254867138 /nfs/dbraw/zinc/86/71/38/1254867138.db2.gz MXDHRNHINGAOFT-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)C(C)(C)C1)N(C)C ZINC000995952761 1254879507 /nfs/dbraw/zinc/87/95/07/1254879507.db2.gz RZPZAMVPBOYERL-QZTJIDSGSA-N 1 3 331.504 2.662 20 0 EFADHO CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1NCCF ZINC000996193364 1255092576 /nfs/dbraw/zinc/09/25/76/1255092576.db2.gz VHBLPENHSCQCPV-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H]1NCCF ZINC000996193364 1255092585 /nfs/dbraw/zinc/09/25/85/1255092585.db2.gz VHBLPENHSCQCPV-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000996300438 1255185220 /nfs/dbraw/zinc/18/52/20/1255185220.db2.gz MFNOXZVJSVSLBI-AEFFLSMTSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000996299985 1255185238 /nfs/dbraw/zinc/18/52/38/1255185238.db2.gz HXMSHQYDNKUQNO-DOTOQJQBSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC000996299833 1255185477 /nfs/dbraw/zinc/18/54/77/1255185477.db2.gz FBQBRNXLNRYOCU-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2ccccc2F)C(C)(C)C1)N(C)C ZINC000996313920 1255196294 /nfs/dbraw/zinc/19/62/94/1255196294.db2.gz GOCVDFHXTIYICD-ROUUACIJSA-N 1 3 349.494 2.535 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H](CC)N(C)C)CC2(C)C)cc1 ZINC000996312845 1255197033 /nfs/dbraw/zinc/19/70/33/1255197033.db2.gz BFRDGEFYXYQHHU-OALUTQOASA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c(C)c1 ZINC000996353682 1255241061 /nfs/dbraw/zinc/24/10/61/1255241061.db2.gz CEULEAWKYBHOMV-GOSISDBHSA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996379315 1255261063 /nfs/dbraw/zinc/26/10/63/1255261063.db2.gz KOYVGPXKLLYYOS-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)c1 ZINC000996660081 1255681864 /nfs/dbraw/zinc/68/18/64/1255681864.db2.gz HBYBFXINWSLTRU-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccc(F)cc1 ZINC000996667054 1255685716 /nfs/dbraw/zinc/68/57/16/1255685716.db2.gz WFRNRICJOFNMNK-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996664774 1255698275 /nfs/dbraw/zinc/69/82/75/1255698275.db2.gz MNYNOQVBNYPREL-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000996666323 1255702489 /nfs/dbraw/zinc/70/24/89/1255702489.db2.gz QHEOHKRSKPPIDV-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996674990 1255705211 /nfs/dbraw/zinc/70/52/11/1255705211.db2.gz DUQLWMHGSIKTDN-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1)C1CC1 ZINC000996674134 1255713748 /nfs/dbraw/zinc/71/37/48/1255713748.db2.gz ADRVNTHFUGJUJE-IBGZPJMESA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996672657 1255721160 /nfs/dbraw/zinc/72/11/60/1255721160.db2.gz QHSIFNFPNQJZLB-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000996680066 1255733024 /nfs/dbraw/zinc/73/30/24/1255733024.db2.gz SIVLXWHEHFVVDZ-SFHVURJKSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000996680842 1255733947 /nfs/dbraw/zinc/73/39/47/1255733947.db2.gz VKXZLIGVNYDFSY-KXBFYZLASA-N 1 3 329.488 2.668 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996688355 1255746980 /nfs/dbraw/zinc/74/69/80/1255746980.db2.gz NWCOHFRHLPLPBN-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1C ZINC000996693857 1255756583 /nfs/dbraw/zinc/75/65/83/1255756583.db2.gz RZYFJINYNJFMJX-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1)N(C)C ZINC000996713964 1255827807 /nfs/dbraw/zinc/82/78/07/1255827807.db2.gz ZITOBVFIOPDVIO-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107450487 1255855998 /nfs/dbraw/zinc/85/59/98/1255855998.db2.gz IQGKXUNCAKOQBK-IIAWOOMASA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2)N(C)C ZINC001107450487 1255856007 /nfs/dbraw/zinc/85/60/07/1255856007.db2.gz IQGKXUNCAKOQBK-IIAWOOMASA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1)N(C)C ZINC000996720263 1255865640 /nfs/dbraw/zinc/86/56/40/1255865640.db2.gz SFCJMAHVFLRGTR-KBXCAEBGSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1)N(C)C ZINC000996720271 1255865892 /nfs/dbraw/zinc/86/58/92/1255865892.db2.gz SFCJMAHVFLRGTR-RDTXWAMCSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550050 1256100490 /nfs/dbraw/zinc/10/04/90/1256100490.db2.gz LQRKISQCCKXERY-LZQZEXGQSA-N 1 3 339.499 2.580 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550050 1256100493 /nfs/dbraw/zinc/10/04/93/1256100493.db2.gz LQRKISQCCKXERY-LZQZEXGQSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552636 1256119129 /nfs/dbraw/zinc/11/91/29/1256119129.db2.gz PGWZLMIFEQCIAW-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552636 1256119137 /nfs/dbraw/zinc/11/91/37/1256119137.db2.gz PGWZLMIFEQCIAW-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001107582896 1256183613 /nfs/dbraw/zinc/18/36/13/1256183613.db2.gz DBRXRTKRIRNMPF-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2 ZINC001107582896 1256183625 /nfs/dbraw/zinc/18/36/25/1256183625.db2.gz DBRXRTKRIRNMPF-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673585 1266022157 /nfs/dbraw/zinc/02/21/57/1266022157.db2.gz CJRKAHKLBUWHAJ-SJORKVTESA-N 1 3 341.515 2.922 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001203456224 1256438219 /nfs/dbraw/zinc/43/82/19/1256438219.db2.gz RMAHCFRDPFTPFP-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996993204 1256636776 /nfs/dbraw/zinc/63/67/76/1256636776.db2.gz BSDXHTGCSZWAPS-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000996998281 1256652281 /nfs/dbraw/zinc/65/22/81/1256652281.db2.gz HZQSDHLLULOODE-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1C ZINC000997000595 1256657043 /nfs/dbraw/zinc/65/70/43/1256657043.db2.gz RPIKFGDUYKTHCN-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC000997001159 1256658110 /nfs/dbraw/zinc/65/81/10/1256658110.db2.gz SGOVCOOCMRQKLQ-INIZCTEOSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997004598 1256664951 /nfs/dbraw/zinc/66/49/51/1256664951.db2.gz FMFIAOBTVUAGGF-HNNXBMFYSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3Cl)CC2)C1 ZINC000997006349 1256667866 /nfs/dbraw/zinc/66/78/66/1256667866.db2.gz LDLXAHGQTGBCOT-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1C ZINC000997006523 1256668291 /nfs/dbraw/zinc/66/82/91/1256668291.db2.gz MPRADDZLTLLPHW-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1F ZINC000997007284 1256671835 /nfs/dbraw/zinc/67/18/35/1256671835.db2.gz PNTGBPLMUREUDB-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cc1 ZINC000997008038 1256672824 /nfs/dbraw/zinc/67/28/24/1256672824.db2.gz UNOXOWIRDNWNEV-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC000997009610 1256681304 /nfs/dbraw/zinc/68/13/04/1256681304.db2.gz LEFVWKFFTQBORS-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1cccc(F)c1 ZINC000997009283 1256681846 /nfs/dbraw/zinc/68/18/46/1256681846.db2.gz ZJDGFAXELWIHAE-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1)N(C)C ZINC000997010236 1256681923 /nfs/dbraw/zinc/68/19/23/1256681923.db2.gz RNNGYCDOUCAAJN-KRWDZBQOSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC000997014124 1256688469 /nfs/dbraw/zinc/68/84/69/1256688469.db2.gz GLUXTADFRYJOEW-KSSFIOAISA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000997034680 1256718883 /nfs/dbraw/zinc/71/88/83/1256718883.db2.gz BAUDUFCZOOOFNU-GOSISDBHSA-N 1 3 326.444 2.684 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000997043290 1256724542 /nfs/dbraw/zinc/72/45/42/1256724542.db2.gz XGUKKDIXIIFMTC-UHFFFAOYSA-N 1 3 348.397 2.671 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000997039330 1256725754 /nfs/dbraw/zinc/72/57/54/1256725754.db2.gz BWCIGBFZDQLMHM-GOSISDBHSA-N 1 3 344.434 2.823 20 0 EFADHO CCCc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000997041567 1256728692 /nfs/dbraw/zinc/72/86/92/1256728692.db2.gz LYOAEZDTSYNWIU-UHFFFAOYSA-N 1 3 340.471 2.686 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997078181 1256795770 /nfs/dbraw/zinc/79/57/70/1256795770.db2.gz FVOUAARXNGHREY-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997118336 1256975422 /nfs/dbraw/zinc/97/54/22/1256975422.db2.gz FEIPMOZRMODLJC-IZVQQQLMSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997118336 1256975429 /nfs/dbraw/zinc/97/54/29/1256975429.db2.gz FEIPMOZRMODLJC-IZVQQQLMSA-N 1 3 341.927 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001032413560 1257203529 /nfs/dbraw/zinc/20/35/29/1257203529.db2.gz JKRBIKRFLPBDGE-CADBVGFASA-N 1 3 345.531 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC3(CCC3)C2)CC[N@H+]1C ZINC001032413560 1257203533 /nfs/dbraw/zinc/20/35/33/1257203533.db2.gz JKRBIKRFLPBDGE-CADBVGFASA-N 1 3 345.531 2.582 20 0 EFADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202505 1257243863 /nfs/dbraw/zinc/24/38/63/1257243863.db2.gz HKPKXOCSQRZYCA-WBVHZDCISA-N 1 3 339.499 2.580 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000997306296 1257385457 /nfs/dbraw/zinc/38/54/57/1257385457.db2.gz BRKZHGFLLGUILG-KRWDZBQOSA-N 1 3 329.488 2.732 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1cccc(F)c1 ZINC000997307807 1257386580 /nfs/dbraw/zinc/38/65/80/1257386580.db2.gz WCAJKSKCKWCGRZ-HNNXBMFYSA-N 1 3 333.451 2.563 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000997356315 1257431541 /nfs/dbraw/zinc/43/15/41/1257431541.db2.gz HTZHTNDHTMAQLR-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000997365336 1257454684 /nfs/dbraw/zinc/45/46/84/1257454684.db2.gz RLUGYMHKWMDBOV-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000997366823 1257456508 /nfs/dbraw/zinc/45/65/08/1257456508.db2.gz MRSUVBMSGNRQAO-QGZVFWFLSA-N 1 3 335.517 2.703 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC000997366922 1257456875 /nfs/dbraw/zinc/45/68/75/1257456875.db2.gz PTDIXWHMXMLLOI-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000997369181 1257475554 /nfs/dbraw/zinc/47/55/54/1257475554.db2.gz YYULWWFZGFMFAV-LJQANCHMSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1CC[NH+](CCCF)CC1 ZINC000997433827 1257579402 /nfs/dbraw/zinc/57/94/02/1257579402.db2.gz JPIXRXRPNDPJKF-MRXNPFEDSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032492974 1257856157 /nfs/dbraw/zinc/85/61/57/1257856157.db2.gz GKBRCPWOQMGREZ-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032492974 1257856171 /nfs/dbraw/zinc/85/61/71/1257856171.db2.gz GKBRCPWOQMGREZ-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CCC(CN2C[C@@H]3C[C@H]2CN3C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001032497843 1257917903 /nfs/dbraw/zinc/91/79/03/1257917903.db2.gz BFNAZGZPUCVQLA-BTRQGYIVSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997586153 1258062807 /nfs/dbraw/zinc/06/28/07/1258062807.db2.gz DNKMUZJHSXPGDD-DBFKFLLRSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997586153 1258062813 /nfs/dbraw/zinc/06/28/13/1258062813.db2.gz DNKMUZJHSXPGDD-DBFKFLLRSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997588593 1258068201 /nfs/dbraw/zinc/06/82/01/1258068201.db2.gz YEFGROFQLWWRDC-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997607741 1258104442 /nfs/dbraw/zinc/10/44/42/1258104442.db2.gz QPKJSKWAQDUHHQ-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997611893 1258109203 /nfs/dbraw/zinc/10/92/03/1258109203.db2.gz FEIPMOZRMODLJC-MUMZPTDHSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997611893 1258109208 /nfs/dbraw/zinc/10/92/08/1258109208.db2.gz FEIPMOZRMODLJC-MUMZPTDHSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997611896 1258109695 /nfs/dbraw/zinc/10/96/95/1258109695.db2.gz FEIPMOZRMODLJC-SKLZBEMCSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997611896 1258109698 /nfs/dbraw/zinc/10/96/98/1258109698.db2.gz FEIPMOZRMODLJC-SKLZBEMCSA-N 1 3 341.927 2.830 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001409940127 1258208720 /nfs/dbraw/zinc/20/87/20/1258208720.db2.gz XMOVJYPNEHRAFO-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032540138 1258277745 /nfs/dbraw/zinc/27/77/45/1258277745.db2.gz RZNSWLLUAXUNFQ-OKZBNKHCSA-N 1 3 333.520 2.582 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCC(F)(F)F ZINC001168596363 1258384678 /nfs/dbraw/zinc/38/46/78/1258384678.db2.gz UJBUTKIFGVTHHC-UHFFFAOYSA-N 1 3 325.419 2.547 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001168596443 1258388362 /nfs/dbraw/zinc/38/83/62/1258388362.db2.gz WDOHQZNUEWOUGP-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC[C@H]1CCCCO1 ZINC001168596445 1258389062 /nfs/dbraw/zinc/38/90/62/1258389062.db2.gz WGOUSHYQYYMABM-GOSISDBHSA-N 1 3 341.540 2.554 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001032557339 1258484681 /nfs/dbraw/zinc/48/46/81/1258484681.db2.gz GSWVTOMTSDSPFQ-ROUUACIJSA-N 1 3 345.531 2.726 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1)C1CC1 ZINC000997824626 1258496519 /nfs/dbraw/zinc/49/65/19/1258496519.db2.gz UUSWXMLJEBGQMJ-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1)C1CC1 ZINC000997824623 1258496580 /nfs/dbraw/zinc/49/65/80/1258496580.db2.gz UUSWXMLJEBGQMJ-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC000997823404 1258496798 /nfs/dbraw/zinc/49/67/98/1258496798.db2.gz NJENRNYKPCGLLZ-CEXWTWQISA-N 1 3 347.547 2.735 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000997830656 1258503503 /nfs/dbraw/zinc/50/35/03/1258503503.db2.gz LEZARCVZYACTFP-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1cc(Br)ccc1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247396 1258504155 /nfs/dbraw/zinc/50/41/55/1258504155.db2.gz GOYFEJLZMJBBRB-INIZCTEOSA-N 1 3 341.293 2.687 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC000997831630 1258505918 /nfs/dbraw/zinc/50/59/18/1258505918.db2.gz WEVQOBALUZODIA-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000997840435 1258516209 /nfs/dbraw/zinc/51/62/09/1258516209.db2.gz PNCGAALTAYHZBM-IBGZPJMESA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000997855114 1258529449 /nfs/dbraw/zinc/52/94/49/1258529449.db2.gz LKGLTUIKOAANFG-LJQANCHMSA-N 1 3 349.494 2.825 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC000997854282 1258533606 /nfs/dbraw/zinc/53/36/06/1258533606.db2.gz BAKVNZOSAWHDNJ-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC000997854969 1258534668 /nfs/dbraw/zinc/53/46/68/1258534668.db2.gz IIDXURUOSAQDME-QFBILLFUSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1CC[NH+](CC2CC2)CC1 ZINC000997874410 1258561421 /nfs/dbraw/zinc/56/14/21/1258561421.db2.gz MIFPVSVZBOGAQR-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccsc1 ZINC001168607751 1258614778 /nfs/dbraw/zinc/61/47/78/1258614778.db2.gz ZZFNBTUOWIKSOI-UHFFFAOYSA-N 1 3 325.522 2.856 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004202346 1266210012 /nfs/dbraw/zinc/21/00/12/1266210012.db2.gz ZQGXZWXSXXTBOD-HNNXBMFYSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584231 1258793598 /nfs/dbraw/zinc/79/35/98/1258793598.db2.gz SGDMTGQOJQLUJC-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584231 1258793605 /nfs/dbraw/zinc/79/36/05/1258793605.db2.gz SGDMTGQOJQLUJC-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000997948607 1258814785 /nfs/dbraw/zinc/81/47/85/1258814785.db2.gz IYPDYPBHHQWLOH-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000997948607 1258814792 /nfs/dbraw/zinc/81/47/92/1258814792.db2.gz IYPDYPBHHQWLOH-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000997949907 1258826603 /nfs/dbraw/zinc/82/66/03/1258826603.db2.gz QAOFGBSJPQUUDI-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000997949907 1258826609 /nfs/dbraw/zinc/82/66/09/1258826609.db2.gz QAOFGBSJPQUUDI-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO COCCC1([NH3+])CCN([C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001168612883 1258960012 /nfs/dbraw/zinc/96/00/12/1258960012.db2.gz CZBGBKJUJIYMGU-MJGOQNOKSA-N 1 3 348.487 2.745 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CC3CCC3)CC2)c1 ZINC001004205362 1266231155 /nfs/dbraw/zinc/23/11/55/1266231155.db2.gz BRDYCTGTZMGMIU-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC000998080534 1259082417 /nfs/dbraw/zinc/08/24/17/1259082417.db2.gz CSZYJBZYWGALKZ-INIZCTEOSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC000998083074 1259085407 /nfs/dbraw/zinc/08/54/07/1259085407.db2.gz UKVURXVLWRJFKV-KRWDZBQOSA-N 1 3 347.547 2.737 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC000998084083 1259087856 /nfs/dbraw/zinc/08/78/56/1259087856.db2.gz ZEYKORPBSRJSNJ-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC000998084573 1259088344 /nfs/dbraw/zinc/08/83/44/1259088344.db2.gz CPQHUMIIMBMCNI-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC000998085396 1259088378 /nfs/dbraw/zinc/08/83/78/1259088378.db2.gz FPSPRGBYNFEHEN-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000998084592 1259089382 /nfs/dbraw/zinc/08/93/82/1259089382.db2.gz DHZBADVMEDXIHA-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000998085995 1259089577 /nfs/dbraw/zinc/08/95/77/1259089577.db2.gz LXGZRTPGSYFMTO-PMACEKPBSA-N 1 3 343.515 2.842 20 0 EFADHO CC1CC(C[NH+]2CCC(NC(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001004206543 1266235026 /nfs/dbraw/zinc/23/50/26/1266235026.db2.gz NETVKIUTSKGOMT-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998117117 1259132299 /nfs/dbraw/zinc/13/22/99/1259132299.db2.gz XWEOPLOSASOVGQ-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1)[NH+](C)C ZINC001032611530 1259289569 /nfs/dbraw/zinc/28/95/69/1259289569.db2.gz MILKIEIVKYMBJN-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCOc1ccccc1 ZINC001168615287 1259292668 /nfs/dbraw/zinc/29/26/68/1259292668.db2.gz NZECPDBPVCCTFV-UHFFFAOYSA-N 1 3 349.519 2.673 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998268648 1259347925 /nfs/dbraw/zinc/34/79/25/1259347925.db2.gz HTLJOKPCCAABDS-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000998269314 1259353414 /nfs/dbraw/zinc/35/34/14/1259353414.db2.gz MGNYIPIAIGJLGU-UHFFFAOYSA-N 1 3 347.478 2.558 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998276320 1259360894 /nfs/dbraw/zinc/36/08/94/1259360894.db2.gz ZJWYHRMEIMBEAV-UHFFFAOYSA-N 1 3 347.478 2.558 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1 ZINC001032626711 1259421528 /nfs/dbraw/zinc/42/15/28/1259421528.db2.gz KPNRBGFVAPHQGK-NEWSRXKRSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1 ZINC001032626711 1259421532 /nfs/dbraw/zinc/42/15/32/1259421532.db2.gz KPNRBGFVAPHQGK-NEWSRXKRSA-N 1 3 345.531 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCOCCC(C)C ZINC001168615990 1259430984 /nfs/dbraw/zinc/43/09/84/1259430984.db2.gz YCFZNQDMPWQZMY-UHFFFAOYSA-N 1 3 343.556 2.657 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036579708 1259732156 /nfs/dbraw/zinc/73/21/56/1259732156.db2.gz QLDCONLTUUUMRJ-MAUKXSAKSA-N 1 3 332.492 2.749 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036579459 1259732177 /nfs/dbraw/zinc/73/21/77/1259732177.db2.gz MJCCQBBXWBGVKD-CRAIPNDOSA-N 1 3 330.476 2.669 20 0 EFADHO CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143604 1259812196 /nfs/dbraw/zinc/81/21/96/1259812196.db2.gz IYZVFQKMMBVHGH-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](C)C1 ZINC001273143604 1259812206 /nfs/dbraw/zinc/81/22/06/1259812206.db2.gz IYZVFQKMMBVHGH-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(Cl)c1 ZINC000998730855 1259881246 /nfs/dbraw/zinc/88/12/46/1259881246.db2.gz LDNZOAXPRLBKFH-SJLPKXTDSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998732113 1259883463 /nfs/dbraw/zinc/88/34/63/1259883463.db2.gz QAZMQHTUOMYKJL-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711020300 1259928477 /nfs/dbraw/zinc/92/84/77/1259928477.db2.gz FVVJXPRHZBWWOT-BHIYHBOVSA-N 1 3 329.488 2.627 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000999340551 1260543931 /nfs/dbraw/zinc/54/39/31/1260543931.db2.gz BHQPOKFVENSBPC-UHFFFAOYSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)CCC1 ZINC000999346477 1260549718 /nfs/dbraw/zinc/54/97/18/1260549718.db2.gz FRIMOSNXYOCGRR-SFHVURJKSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000999351624 1260554997 /nfs/dbraw/zinc/55/49/97/1260554997.db2.gz FNZJMWQXXVHXSX-QGZVFWFLSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000999352682 1260555871 /nfs/dbraw/zinc/55/58/71/1260555871.db2.gz KHOALFHCYUFCLI-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1F ZINC000999372892 1260555926 /nfs/dbraw/zinc/55/59/26/1260555926.db2.gz PIYXRRJNCMUXEY-IEBWSBKVSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000999352664 1260556205 /nfs/dbraw/zinc/55/62/05/1260556205.db2.gz KHOALFHCYUFCLI-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000999372962 1260556308 /nfs/dbraw/zinc/55/63/08/1260556308.db2.gz PTEDFDISAHDTNV-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000999378045 1260561360 /nfs/dbraw/zinc/56/13/60/1260561360.db2.gz XJYDZTYWQBJGHC-ZWKOTPCHSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000999379449 1260562005 /nfs/dbraw/zinc/56/20/05/1260562005.db2.gz YSNAPYYOBNZSET-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999379388 1260562953 /nfs/dbraw/zinc/56/29/53/1260562953.db2.gz YIZAHBBPWZQKGS-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CC1 ZINC000999362654 1260563375 /nfs/dbraw/zinc/56/33/75/1260563375.db2.gz BIECPGDEMRCVHV-OALUTQOASA-N 1 3 347.478 2.577 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000999362663 1260563873 /nfs/dbraw/zinc/56/38/73/1260563873.db2.gz CNVKCFDWAIVACD-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999366183 1260567964 /nfs/dbraw/zinc/56/79/64/1260567964.db2.gz VPZZQHCNZDRCMI-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999365635 1260568402 /nfs/dbraw/zinc/56/84/02/1260568402.db2.gz QKPHHXPOBHYGLY-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999367158 1260569135 /nfs/dbraw/zinc/56/91/35/1260569135.db2.gz DURPTHYTMULFKO-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000999369108 1260570225 /nfs/dbraw/zinc/57/02/25/1260570225.db2.gz IZZQZYFNIXYFEM-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC000999369605 1260570804 /nfs/dbraw/zinc/57/08/04/1260570804.db2.gz JMTUKRDGMOOQOE-QZTJIDSGSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000999369616 1260571033 /nfs/dbraw/zinc/57/10/33/1260571033.db2.gz JUVCDGIYRPPBCM-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000999371044 1260572434 /nfs/dbraw/zinc/57/24/34/1260572434.db2.gz MRXOSUBCRJLXLZ-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC000999418342 1260592149 /nfs/dbraw/zinc/59/21/49/1260592149.db2.gz BQSAUZWXHSHYEI-SJORKVTESA-N 1 3 337.533 2.723 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000999404221 1260597966 /nfs/dbraw/zinc/59/79/66/1260597966.db2.gz UGVPMXIISMFQIW-RWBZWWBESA-N 1 3 349.906 2.903 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999405784 1260600329 /nfs/dbraw/zinc/60/03/29/1260600329.db2.gz IIPQFIDJVIRMQC-PBPGXSGUSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999405754 1260601120 /nfs/dbraw/zinc/60/11/20/1260601120.db2.gz HETQRIMTOFSCOD-VIQWUECVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999407837 1260603058 /nfs/dbraw/zinc/60/30/58/1260603058.db2.gz XKGFJDPULYRABL-ZLPCBKJTSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC000999409777 1260604056 /nfs/dbraw/zinc/60/40/56/1260604056.db2.gz SOWFSDIMMXBIIE-IPJUCJBFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000999409179 1260604620 /nfs/dbraw/zinc/60/46/20/1260604620.db2.gz PBQHBNGYINPUFH-VMEOHVCESA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000999421321 1260611667 /nfs/dbraw/zinc/61/16/67/1260611667.db2.gz JEYRGULBJROAPN-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC000999423095 1260612711 /nfs/dbraw/zinc/61/27/11/1260612711.db2.gz NIDGACKPGPXFCO-MJGOQNOKSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999437591 1260626961 /nfs/dbraw/zinc/62/69/61/1260626961.db2.gz XNHPRTVKDGQNNY-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999470758 1260662177 /nfs/dbraw/zinc/66/21/77/1260662177.db2.gz WEFHMLSHYJSUSZ-UHFFFAOYSA-N 1 3 346.862 2.693 20 0 EFADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC000999471415 1260663018 /nfs/dbraw/zinc/66/30/18/1260663018.db2.gz DTBJXVJYUAVKJD-VJFUWPCTSA-N 1 3 326.444 2.683 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000999472629 1260663759 /nfs/dbraw/zinc/66/37/59/1260663759.db2.gz IMEPIERSZTZGQJ-GXOAENINSA-N 1 3 338.455 2.609 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000999489250 1260712321 /nfs/dbraw/zinc/71/23/21/1260712321.db2.gz JJTOPYUSVGAVKB-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000999490710 1260713267 /nfs/dbraw/zinc/71/32/67/1260713267.db2.gz SDIYMLMOIJKKJN-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)CC3)C2)c1 ZINC000999599121 1260762020 /nfs/dbraw/zinc/76/20/20/1260762020.db2.gz QHVYBUDTPMVWKG-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC000999602253 1260763591 /nfs/dbraw/zinc/76/35/91/1260763591.db2.gz QDJSYHDQHNENFI-UHFFFAOYSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC000999833667 1260946105 /nfs/dbraw/zinc/94/61/05/1260946105.db2.gz OVGCFXXOWYTPLO-NNGSBXSVSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000999834828 1260946768 /nfs/dbraw/zinc/94/67/68/1260946768.db2.gz WXRXJIKDRTYLTJ-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000999834902 1260947317 /nfs/dbraw/zinc/94/73/17/1260947317.db2.gz ZTFAAMLFDAYUAX-UHFFFAOYSA-N 1 3 341.455 2.608 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000999877024 1260965960 /nfs/dbraw/zinc/96/59/60/1260965960.db2.gz XMTAQINSRIJEQT-CTWPCTMYSA-N 1 3 347.478 2.779 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032731244 1261091652 /nfs/dbraw/zinc/09/16/52/1261091652.db2.gz GKPKIJAZSXEYFT-FHWLQOOXSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)C1 ZINC001032731244 1261091658 /nfs/dbraw/zinc/09/16/58/1261091658.db2.gz GKPKIJAZSXEYFT-FHWLQOOXSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032732068 1261094324 /nfs/dbraw/zinc/09/43/24/1261094324.db2.gz VQWCKQUPVFFCAR-QYZOEREBSA-N 1 3 331.504 2.504 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032732068 1261094329 /nfs/dbraw/zinc/09/43/29/1261094329.db2.gz VQWCKQUPVFFCAR-QYZOEREBSA-N 1 3 331.504 2.504 20 0 EFADHO CN(C)CCN1CCC2(CC[NH+](CCC3CCCCC3)CC2)C1=O ZINC001272863041 1261189313 /nfs/dbraw/zinc/18/93/13/1261189313.db2.gz QVTNWRTZFITRFL-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)CN1CC2(CCC1=O)CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001272867216 1261193975 /nfs/dbraw/zinc/19/39/75/1261193975.db2.gz DXKCVFNIHLHHAZ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000201133 1261204684 /nfs/dbraw/zinc/20/46/84/1261204684.db2.gz RLINXDPMKQQVKI-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033069867 1266392766 /nfs/dbraw/zinc/39/27/66/1266392766.db2.gz MILGWPUBHAKWAL-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033069867 1266392773 /nfs/dbraw/zinc/39/27/73/1266392773.db2.gz MILGWPUBHAKWAL-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH2+]CC3CCC3)C2)C1 ZINC001000211292 1261233305 /nfs/dbraw/zinc/23/33/05/1261233305.db2.gz UXXNNFUABYIAAA-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO c1ccc(OCCN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923319838 1261457661 /nfs/dbraw/zinc/45/76/61/1261457661.db2.gz QEXOVVIKNYBBER-IHWFROFDSA-N 1 3 343.515 2.604 20 0 EFADHO O=C(c1cccc(Cl)c1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889613 1261501879 /nfs/dbraw/zinc/50/18/79/1261501879.db2.gz UDJWLRAMVCXTDQ-DODVFSASSA-N 1 3 347.890 2.628 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001006059219 1261550089 /nfs/dbraw/zinc/55/00/89/1261550089.db2.gz HPYKSISTPGMMGU-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033074184 1266417999 /nfs/dbraw/zinc/41/79/99/1266417999.db2.gz XNHRRQFDJNDORF-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033074184 1266418003 /nfs/dbraw/zinc/41/80/03/1266418003.db2.gz XNHRRQFDJNDORF-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033074184 1266418005 /nfs/dbraw/zinc/41/80/05/1266418005.db2.gz XNHRRQFDJNDORF-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033074184 1266418007 /nfs/dbraw/zinc/41/80/07/1266418007.db2.gz XNHRRQFDJNDORF-RBUKOAKNSA-N 1 3 333.520 2.892 20 0 EFADHO [NH3+]C[C@@H](NC[C@@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000923372956 1261573916 /nfs/dbraw/zinc/57/39/16/1261573916.db2.gz KNTPJHVEKADQAE-GDBMZVCRSA-N 1 3 326.868 2.577 20 0 EFADHO C[C@@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000923376594 1261576741 /nfs/dbraw/zinc/57/67/41/1261576741.db2.gz ZSMJAYJUIBIDAG-YUELXQCFSA-N 1 3 330.394 2.526 20 0 EFADHO C[C@@H]1CCCN(C[C@H](O)COc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000923385797 1261593837 /nfs/dbraw/zinc/59/38/37/1261593837.db2.gz CXZIQDDSASKSNE-YCPHGPKFSA-N 1 3 326.868 2.529 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000923487499 1261745712 /nfs/dbraw/zinc/74/57/12/1261745712.db2.gz DPBKSPMPZSFREZ-VXGBXAGGSA-N 1 3 344.286 2.841 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487261 1261745928 /nfs/dbraw/zinc/74/59/28/1261745928.db2.gz BVTXUCSNZALYRC-WMZOPIPTSA-N 1 3 331.504 2.733 20 0 EFADHO [NH3+]CC[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923481635 1261751909 /nfs/dbraw/zinc/75/19/09/1261751909.db2.gz SYTPQMSTPLFUBF-ABAIWWIYSA-N 1 3 342.270 2.769 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000923482598 1261752896 /nfs/dbraw/zinc/75/28/96/1261752896.db2.gz RUZXDPQHEHVLCE-KRWDZBQOSA-N 1 3 344.503 2.676 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799723 1261753722 /nfs/dbraw/zinc/75/37/22/1261753722.db2.gz JRGLNCOBIRPDTO-OALUTQOASA-N 1 3 329.488 2.693 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799723 1261753729 /nfs/dbraw/zinc/75/37/29/1261753729.db2.gz JRGLNCOBIRPDTO-OALUTQOASA-N 1 3 329.488 2.693 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493420 1261778411 /nfs/dbraw/zinc/77/84/11/1261778411.db2.gz UUDFEDPKQBALEE-RYUDHWBXSA-N 1 3 345.365 2.583 20 0 EFADHO CC[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000923496759 1261785804 /nfs/dbraw/zinc/78/58/04/1261785804.db2.gz CWWQPDZUQYPCKI-UNEWFSDZSA-N 1 3 337.895 2.824 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498923 1261793903 /nfs/dbraw/zinc/79/39/03/1261793903.db2.gz QWLSYYRQUKJLPN-IXDOHACOSA-N 1 3 344.503 2.531 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803732 1261848461 /nfs/dbraw/zinc/84/84/61/1261848461.db2.gz KVNVRORGNXAUTQ-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113571242 1278111537 /nfs/dbraw/zinc/11/15/37/1278111537.db2.gz CXUFUPCTAWDQCX-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113571242 1278111544 /nfs/dbraw/zinc/11/15/44/1278111544.db2.gz CXUFUPCTAWDQCX-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](Cc3cccs3)CC2)C1=O ZINC001272931582 1262248200 /nfs/dbraw/zinc/24/82/00/1262248200.db2.gz DMXPVYWPYNYMED-SFHVURJKSA-N 1 3 335.517 2.514 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](Cc3cccs3)CC2)C1=O ZINC001272931582 1262248205 /nfs/dbraw/zinc/24/82/05/1262248205.db2.gz DMXPVYWPYNYMED-SFHVURJKSA-N 1 3 335.517 2.514 20 0 EFADHO Cc1ccsc1C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272933699 1262307894 /nfs/dbraw/zinc/30/78/94/1262307894.db2.gz GTQZXDGUNPGXHQ-GOSISDBHSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272933699 1262307899 /nfs/dbraw/zinc/30/78/99/1262307899.db2.gz GTQZXDGUNPGXHQ-GOSISDBHSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001078793835 1262359920 /nfs/dbraw/zinc/35/99/20/1262359920.db2.gz BPHKBZMGUNIZSH-ZWKOTPCHSA-N 1 3 342.487 2.778 20 0 EFADHO CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819228 1262362666 /nfs/dbraw/zinc/36/26/66/1262362666.db2.gz KGMIILSXUNLVQV-ZWKOTPCHSA-N 1 3 329.488 2.789 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001033093228 1266498032 /nfs/dbraw/zinc/49/80/32/1266498032.db2.gz ZMVJRDCRWBFPKI-ZTFGCOKTSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001033093228 1266498036 /nfs/dbraw/zinc/49/80/36/1266498036.db2.gz ZMVJRDCRWBFPKI-ZTFGCOKTSA-N 1 3 349.544 2.738 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001485881982 1262464885 /nfs/dbraw/zinc/46/48/85/1262464885.db2.gz MVNLXWLAFZSIIT-OAHLLOKOSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)[C@@H]1C ZINC001486090661 1262612534 /nfs/dbraw/zinc/61/25/34/1262612534.db2.gz BTVPCDLJPURUGZ-MAUKXSAKSA-N 1 3 335.467 2.555 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001486202720 1262787986 /nfs/dbraw/zinc/78/79/86/1262787986.db2.gz ONFPSRAUFGIEKX-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001486210930 1262806910 /nfs/dbraw/zinc/80/69/10/1262806910.db2.gz RJUVKOWOOMBFJR-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001486210931 1262807776 /nfs/dbraw/zinc/80/77/76/1262807776.db2.gz RJUVKOWOOMBFJR-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN([C@@H]4CCCC[C@H]4O)CC3)ccc2O1 ZINC000921859334 1262914279 /nfs/dbraw/zinc/91/42/79/1262914279.db2.gz KVGHKGVAOLKMEO-CDHQVMDDSA-N 1 3 344.499 2.868 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN([C@H]4CCCC[C@H]4O)CC3)ccc2O1 ZINC000921859335 1262914343 /nfs/dbraw/zinc/91/43/43/1262914343.db2.gz KVGHKGVAOLKMEO-UIAACRFSSA-N 1 3 344.499 2.868 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082559698 1263221744 /nfs/dbraw/zinc/22/17/44/1263221744.db2.gz MPMDYTUPQMVQOR-ATZDWAIDSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001082557627 1263222454 /nfs/dbraw/zinc/22/24/54/1263222454.db2.gz UHIJBVMQDLWTIN-ZIFCJYIRSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C)c1 ZINC001082575156 1263229273 /nfs/dbraw/zinc/22/92/73/1263229273.db2.gz NWTDANXPJJSZQS-LZQZEXGQSA-N 1 3 349.494 2.657 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001082589008 1263230143 /nfs/dbraw/zinc/23/01/43/1263230143.db2.gz CMSFLZXFHWYMKK-FVQBIDKESA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001082747261 1263291816 /nfs/dbraw/zinc/29/18/16/1263291816.db2.gz HSQYAVKVAFBMLD-XYPHTWIQSA-N 1 3 337.895 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001082748752 1263297859 /nfs/dbraw/zinc/29/78/59/1263297859.db2.gz ZREGHLKPCQKHRT-JLZZUVOBSA-N 1 3 337.533 2.642 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCCC2)C1)N(C)C ZINC001082724702 1263302535 /nfs/dbraw/zinc/30/25/35/1263302535.db2.gz CBPCPZOEIDHYEF-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082741069 1263313054 /nfs/dbraw/zinc/31/30/54/1263313054.db2.gz OLXKTUMVFYKPTR-JTDSTZFVSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082740757 1263314289 /nfs/dbraw/zinc/31/42/89/1263314289.db2.gz FKGVEILDBRIYLJ-WSTZPKSXSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c1 ZINC001082741811 1263314324 /nfs/dbraw/zinc/31/43/24/1263314324.db2.gz DLTFVPXTGSZYMD-YVWKXTFCSA-N 1 3 343.515 2.582 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001082941811 1263424090 /nfs/dbraw/zinc/42/40/90/1263424090.db2.gz NHTBBFLTRKWPRB-LZQZEXGQSA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001082943262 1263424817 /nfs/dbraw/zinc/42/48/17/1263424817.db2.gz AWKRWOWNXJTNLR-LZQZEXGQSA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082943355 1263425532 /nfs/dbraw/zinc/42/55/32/1263425532.db2.gz FUOZNCDADDOQHY-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084338543 1263835064 /nfs/dbraw/zinc/83/50/64/1263835064.db2.gz VJEWWLWSJHRYIQ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084338543 1263835079 /nfs/dbraw/zinc/83/50/79/1263835079.db2.gz VJEWWLWSJHRYIQ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)c3sccc3CN(C)C)[C@@H]2C1 ZINC001084383385 1263886613 /nfs/dbraw/zinc/88/66/13/1263886613.db2.gz DMOLASYKHOTHOP-NVXWUHKLSA-N 1 3 347.528 2.922 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3CN(C)C)[C@@H]2C1 ZINC001084383385 1263886626 /nfs/dbraw/zinc/88/66/26/1263886626.db2.gz DMOLASYKHOTHOP-NVXWUHKLSA-N 1 3 347.528 2.922 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429283 1263901829 /nfs/dbraw/zinc/90/18/29/1263901829.db2.gz WXPDOSAJJNAHDA-AQNXPRMDSA-N 1 3 343.515 2.614 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCN(CC3CC3)C[C@H]21 ZINC001084470401 1263940515 /nfs/dbraw/zinc/94/05/15/1263940515.db2.gz IHGGGAJLORHWCW-SJLPKXTDSA-N 1 3 333.520 2.582 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CCN(CC3CC3)C[C@H]21 ZINC001084470401 1263940521 /nfs/dbraw/zinc/94/05/21/1263940521.db2.gz IHGGGAJLORHWCW-SJLPKXTDSA-N 1 3 333.520 2.582 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000921978982 1263976109 /nfs/dbraw/zinc/97/61/09/1263976109.db2.gz AIPFIJXJTJGFNS-HXUWFJFHSA-N 1 3 340.467 2.860 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000921978982 1263976117 /nfs/dbraw/zinc/97/61/17/1263976117.db2.gz AIPFIJXJTJGFNS-HXUWFJFHSA-N 1 3 340.467 2.860 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545232 1264013758 /nfs/dbraw/zinc/01/37/58/1264013758.db2.gz AKXJVWMXKOETQU-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545232 1264013765 /nfs/dbraw/zinc/01/37/65/1264013765.db2.gz AKXJVWMXKOETQU-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545233 1264014245 /nfs/dbraw/zinc/01/42/45/1264014245.db2.gz AKXJVWMXKOETQU-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545233 1264014252 /nfs/dbraw/zinc/01/42/52/1264014252.db2.gz AKXJVWMXKOETQU-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21)N1CCCC1 ZINC001084572133 1264033539 /nfs/dbraw/zinc/03/35/39/1264033539.db2.gz XAYLAKOAGBITRO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21)N1CCCC1 ZINC001084572133 1264033547 /nfs/dbraw/zinc/03/35/47/1264033547.db2.gz XAYLAKOAGBITRO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001002792029 1264079191 /nfs/dbraw/zinc/07/91/91/1264079191.db2.gz MWIRKXZFGDFJQS-KRWDZBQOSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001002792029 1264079196 /nfs/dbraw/zinc/07/91/96/1264079196.db2.gz MWIRKXZFGDFJQS-KRWDZBQOSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001002791406 1264079941 /nfs/dbraw/zinc/07/99/41/1264079941.db2.gz HSEXWNHLLWHJLO-SFHVURJKSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084608554 1264082752 /nfs/dbraw/zinc/08/27/52/1264082752.db2.gz BAZYRKPPNBBUBU-IJXRJRJASA-N 1 3 345.531 2.750 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)CC[N@H+]1C ZINC001084608554 1264082757 /nfs/dbraw/zinc/08/27/57/1264082757.db2.gz BAZYRKPPNBBUBU-IJXRJRJASA-N 1 3 345.531 2.750 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333886 1264090307 /nfs/dbraw/zinc/09/03/07/1264090307.db2.gz ZTESMVJDLLZQNL-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333886 1264090315 /nfs/dbraw/zinc/09/03/15/1264090315.db2.gz ZTESMVJDLLZQNL-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630881 1264092937 /nfs/dbraw/zinc/09/29/37/1264092937.db2.gz YQNWPZGANCIIPN-PWIZWCRZSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21)[NH+](C)C ZINC001084639029 1264100853 /nfs/dbraw/zinc/10/08/53/1264100853.db2.gz AZRSYBGFUUVXJG-GUDVDZBRSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001084639029 1264100863 /nfs/dbraw/zinc/10/08/63/1264100863.db2.gz AZRSYBGFUUVXJG-GUDVDZBRSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3=CCCCC3)C[C@H]21)N(C)C ZINC001084639029 1264100867 /nfs/dbraw/zinc/10/08/67/1264100867.db2.gz AZRSYBGFUUVXJG-GUDVDZBRSA-N 1 3 333.520 2.606 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001084701125 1264244396 /nfs/dbraw/zinc/24/43/96/1264244396.db2.gz OXUURHCUTXLJNV-BHIYHBOVSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001084701125 1264244402 /nfs/dbraw/zinc/24/44/02/1264244402.db2.gz OXUURHCUTXLJNV-BHIYHBOVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084701408 1264244759 /nfs/dbraw/zinc/24/47/59/1264244759.db2.gz BYJRKVDGJFRAOK-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084701408 1264244766 /nfs/dbraw/zinc/24/47/66/1264244766.db2.gz BYJRKVDGJFRAOK-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001084701126 1264244906 /nfs/dbraw/zinc/24/49/06/1264244906.db2.gz OXUURHCUTXLJNV-QXAKKESOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001084701126 1264244912 /nfs/dbraw/zinc/24/49/12/1264244912.db2.gz OXUURHCUTXLJNV-QXAKKESOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701302 1264246157 /nfs/dbraw/zinc/24/61/57/1264246157.db2.gz WXNMRROYZWXXIZ-QXAKKESOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701302 1264246165 /nfs/dbraw/zinc/24/61/65/1264246165.db2.gz WXNMRROYZWXXIZ-QXAKKESOSA-N 1 3 333.520 2.584 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776255 1264375021 /nfs/dbraw/zinc/37/50/21/1264375021.db2.gz QNIGVXIROWGFPT-HZPDHXFCSA-N 1 3 332.492 2.656 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776255 1264375032 /nfs/dbraw/zinc/37/50/32/1264375032.db2.gz QNIGVXIROWGFPT-HZPDHXFCSA-N 1 3 332.492 2.656 20 0 EFADHO CCc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972368 1264470036 /nfs/dbraw/zinc/47/00/36/1264470036.db2.gz SIAAPUKTIVTGMB-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972368 1264470041 /nfs/dbraw/zinc/47/00/41/1264470041.db2.gz SIAAPUKTIVTGMB-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCCc2ccccc2)CC1)N(C)C ZINC001410250931 1264523719 /nfs/dbraw/zinc/52/37/19/1264523719.db2.gz KKXQUTLBUFWZGM-FQEVSTJZSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCCc2ccccc2)CC1)N(C)C ZINC001410250931 1264523721 /nfs/dbraw/zinc/52/37/21/1264523721.db2.gz KKXQUTLBUFWZGM-FQEVSTJZSA-N 1 3 345.531 2.882 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852201 1264533115 /nfs/dbraw/zinc/53/31/15/1264533115.db2.gz MJIPQUXPGSFCAI-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852201 1264533121 /nfs/dbraw/zinc/53/31/21/1264533121.db2.gz MJIPQUXPGSFCAI-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084853445 1264539723 /nfs/dbraw/zinc/53/97/23/1264539723.db2.gz QBOQTJLHIJAINP-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084853445 1264539729 /nfs/dbraw/zinc/53/97/29/1264539729.db2.gz QBOQTJLHIJAINP-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2CCc3cccnc3CC2)C[C@@H](C)O1 ZINC000421847666 1264597578 /nfs/dbraw/zinc/59/75/78/1264597578.db2.gz YBJSYWGKENUUQP-LMMKCTJWSA-N 1 3 331.504 2.808 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938824 1264712930 /nfs/dbraw/zinc/71/29/30/1264712930.db2.gz GSAYEKDSBLJHSI-QYZOEREBSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938824 1264712933 /nfs/dbraw/zinc/71/29/33/1264712933.db2.gz GSAYEKDSBLJHSI-QYZOEREBSA-N 1 3 333.520 2.748 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001084953598 1264754373 /nfs/dbraw/zinc/75/43/73/1264754373.db2.gz XJSAVJTWWCQWDC-QRVBRYPASA-N 1 3 333.520 2.750 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001084953598 1264754378 /nfs/dbraw/zinc/75/43/78/1264754378.db2.gz XJSAVJTWWCQWDC-QRVBRYPASA-N 1 3 333.520 2.750 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084952607 1264754680 /nfs/dbraw/zinc/75/46/80/1264754680.db2.gz ADZFWYGLRBWMAC-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084952607 1264754691 /nfs/dbraw/zinc/75/46/91/1264754691.db2.gz ADZFWYGLRBWMAC-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cs1 ZINC001003492449 1264820576 /nfs/dbraw/zinc/82/05/76/1264820576.db2.gz MORHMBAJJSDPJP-YOEHRIQHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cs1 ZINC001003492449 1264820593 /nfs/dbraw/zinc/82/05/93/1264820593.db2.gz MORHMBAJJSDPJP-YOEHRIQHSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997961 1264876307 /nfs/dbraw/zinc/87/63/07/1264876307.db2.gz KDRAZZXGHVMBBK-YZGWKJHDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997961 1264876319 /nfs/dbraw/zinc/87/63/19/1264876319.db2.gz KDRAZZXGHVMBBK-YZGWKJHDSA-N 1 3 347.547 2.830 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084997962 1264876834 /nfs/dbraw/zinc/87/68/34/1264876834.db2.gz KEYTUGMIRQPFTI-HOJAQTOUSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084997962 1264876845 /nfs/dbraw/zinc/87/68/45/1264876845.db2.gz KEYTUGMIRQPFTI-HOJAQTOUSA-N 1 3 345.531 2.584 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3=CCCCC3)[C@H]2C1)N(C)C ZINC001085025330 1264960096 /nfs/dbraw/zinc/96/00/96/1264960096.db2.gz TZIFNMBABKMZLA-HSALFYBXSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3=CCCCC3)[C@H]2C1)N(C)C ZINC001085025330 1264960109 /nfs/dbraw/zinc/96/01/09/1264960109.db2.gz TZIFNMBABKMZLA-HSALFYBXSA-N 1 3 347.547 2.996 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001003626500 1264987391 /nfs/dbraw/zinc/98/73/91/1264987391.db2.gz RDNOUWTVLMTROZ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC2CC[NH+](CC3CCC3)CC2)C1 ZINC001003628405 1264997592 /nfs/dbraw/zinc/99/75/92/1264997592.db2.gz OWNYUTYHIKAGRK-IBGZPJMESA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628174 1264997648 /nfs/dbraw/zinc/99/76/48/1264997648.db2.gz NHBMCOLVDWVXDJ-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CC3CCC4(CC4)CC3)CC2)C1 ZINC001003632413 1265001320 /nfs/dbraw/zinc/00/13/20/1265001320.db2.gz ZRBWDIPMOFPLFR-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001085049575 1265028287 /nfs/dbraw/zinc/02/82/87/1265028287.db2.gz LPNYXLLUGSYWAE-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001085049575 1265028292 /nfs/dbraw/zinc/02/82/92/1265028292.db2.gz LPNYXLLUGSYWAE-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001410430548 1265161626 /nfs/dbraw/zinc/16/16/26/1265161626.db2.gz GDVIJVWQHPMDBG-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000922267176 1265163902 /nfs/dbraw/zinc/16/39/02/1265163902.db2.gz GDTOFEQTAGGVPX-UHFFFAOYSA-N 1 3 334.435 2.824 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001273268222 1265301502 /nfs/dbraw/zinc/30/15/02/1265301502.db2.gz FZBMNUOLQIGIQB-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001273268222 1265301512 /nfs/dbraw/zinc/30/15/12/1265301512.db2.gz FZBMNUOLQIGIQB-OAQYLSRUSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(F)c(Cl)c1 ZINC001410444110 1265355202 /nfs/dbraw/zinc/35/52/02/1265355202.db2.gz SEWINASAOXZPAD-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075332 1266445039 /nfs/dbraw/zinc/44/50/39/1266445039.db2.gz FURBUNMAGCPHDH-JKSUJKDBSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075332 1266445044 /nfs/dbraw/zinc/44/50/44/1266445044.db2.gz FURBUNMAGCPHDH-JKSUJKDBSA-N 1 3 327.488 2.532 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001033092044 1266495105 /nfs/dbraw/zinc/49/51/05/1266495105.db2.gz QDMIZAZBBJGZTD-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001033092044 1266495111 /nfs/dbraw/zinc/49/51/11/1266495111.db2.gz QDMIZAZBBJGZTD-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001033095076 1266506553 /nfs/dbraw/zinc/50/65/53/1266506553.db2.gz PQFDZJQKDXHAKE-AYOQOUSVSA-N 1 3 347.478 2.529 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001033095076 1266506562 /nfs/dbraw/zinc/50/65/62/1266506562.db2.gz PQFDZJQKDXHAKE-AYOQOUSVSA-N 1 3 347.478 2.529 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1)N1CCCCC1 ZINC000946592277 1266602194 /nfs/dbraw/zinc/60/21/94/1266602194.db2.gz GCNGNJQKPRRZQO-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1)N1CCCCC1 ZINC000946592277 1266602199 /nfs/dbraw/zinc/60/21/99/1266602199.db2.gz GCNGNJQKPRRZQO-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004368878 1266785626 /nfs/dbraw/zinc/78/56/26/1266785626.db2.gz FXDMEPQCJBMBLV-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004368878 1266785634 /nfs/dbraw/zinc/78/56/34/1266785634.db2.gz FXDMEPQCJBMBLV-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004373076 1266797261 /nfs/dbraw/zinc/79/72/61/1266797261.db2.gz UYLLEQMAPZDRDI-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004373076 1266797273 /nfs/dbraw/zinc/79/72/73/1266797273.db2.gz UYLLEQMAPZDRDI-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000734527308 1267003494 /nfs/dbraw/zinc/00/34/94/1267003494.db2.gz OZOOYLOFXTWCBF-HNNXBMFYSA-N 1 3 338.540 2.526 20 0 EFADHO CCCC[C@](C)(F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000824818822 1278302587 /nfs/dbraw/zinc/30/25/87/1278302587.db2.gz JRESMNJIZNKOFI-SFHVURJKSA-N 1 3 327.488 2.580 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454940 1267080885 /nfs/dbraw/zinc/08/08/85/1267080885.db2.gz AZPRPEPXHASCMB-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004454940 1267080891 /nfs/dbraw/zinc/08/08/91/1267080891.db2.gz AZPRPEPXHASCMB-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC=C(C)C)CC1)N(C)C ZINC001004472193 1267119276 /nfs/dbraw/zinc/11/92/76/1267119276.db2.gz DQDMYLCCPRQGDW-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC=C(C)C)CC1)N(C)C ZINC001004472193 1267119282 /nfs/dbraw/zinc/11/92/82/1267119282.db2.gz DQDMYLCCPRQGDW-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004476029 1267127776 /nfs/dbraw/zinc/12/77/76/1267127776.db2.gz WWSFSJOUUVWCMC-OGNIYVCYSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004476029 1267127780 /nfs/dbraw/zinc/12/77/80/1267127780.db2.gz WWSFSJOUUVWCMC-OGNIYVCYSA-N 1 3 341.927 2.782 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125410 1267151810 /nfs/dbraw/zinc/15/18/10/1267151810.db2.gz CZRALIYNYQAKBV-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125410 1267151812 /nfs/dbraw/zinc/15/18/12/1267151812.db2.gz CZRALIYNYQAKBV-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033128032 1267154860 /nfs/dbraw/zinc/15/48/60/1267154860.db2.gz ZOUNMQAMNMNIQV-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033128032 1267154863 /nfs/dbraw/zinc/15/48/63/1267154863.db2.gz ZOUNMQAMNMNIQV-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033126196 1267168392 /nfs/dbraw/zinc/16/83/92/1267168392.db2.gz LCOMDYJKAGHJNY-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033126196 1267168395 /nfs/dbraw/zinc/16/83/95/1267168395.db2.gz LCOMDYJKAGHJNY-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085331858 1267177185 /nfs/dbraw/zinc/17/71/85/1267177185.db2.gz BVEJYEBMQJNKJY-GPMSIDNRSA-N 1 3 341.515 2.872 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)CC[C@@H]3C2)C1 ZINC000946623094 1267213414 /nfs/dbraw/zinc/21/34/14/1267213414.db2.gz AYQJCIMYGGWRFT-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)CC[C@@H]3C2)C1 ZINC000946623094 1267213422 /nfs/dbraw/zinc/21/34/22/1267213422.db2.gz AYQJCIMYGGWRFT-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1)C1CC1 ZINC000946623552 1267217609 /nfs/dbraw/zinc/21/76/09/1267217609.db2.gz MEPVIHSKCDPPQF-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1)C1CC1 ZINC000946623552 1267217621 /nfs/dbraw/zinc/21/76/21/1267217621.db2.gz MEPVIHSKCDPPQF-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)N(C)C)CC[C@@H]3C2)C1 ZINC000946624044 1267221171 /nfs/dbraw/zinc/22/11/71/1267221171.db2.gz ZUHSFLNHUIJVLA-DBYSVDLZSA-N 1 3 347.547 2.543 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H](C4CC4)N(C)C)CC[C@@H]3C2)C1 ZINC000946624044 1267221181 /nfs/dbraw/zinc/22/11/81/1267221181.db2.gz ZUHSFLNHUIJVLA-DBYSVDLZSA-N 1 3 347.547 2.543 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623964 1267221205 /nfs/dbraw/zinc/22/12/05/1267221205.db2.gz WKZUGTKSXBVKCJ-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623964 1267221211 /nfs/dbraw/zinc/22/12/11/1267221211.db2.gz WKZUGTKSXBVKCJ-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004545501 1267266201 /nfs/dbraw/zinc/26/62/01/1267266201.db2.gz CUVPRPOCRMFJCT-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004545501 1267266211 /nfs/dbraw/zinc/26/62/11/1267266211.db2.gz CUVPRPOCRMFJCT-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546029 1267266593 /nfs/dbraw/zinc/26/65/93/1267266593.db2.gz FDISQIGJBRFICS-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001004546029 1267266607 /nfs/dbraw/zinc/26/66/07/1267266607.db2.gz FDISQIGJBRFICS-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004547092 1267269445 /nfs/dbraw/zinc/26/94/45/1267269445.db2.gz LIZRREQWYDSRJS-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004547092 1267269457 /nfs/dbraw/zinc/26/94/57/1267269457.db2.gz LIZRREQWYDSRJS-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547541 1267271404 /nfs/dbraw/zinc/27/14/04/1267271404.db2.gz OJLHZJLUTAECOB-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547541 1267271407 /nfs/dbraw/zinc/27/14/07/1267271407.db2.gz OJLHZJLUTAECOB-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004549221 1267274395 /nfs/dbraw/zinc/27/43/95/1267274395.db2.gz VKMGCNKUMJFBIP-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004549221 1267274405 /nfs/dbraw/zinc/27/44/05/1267274405.db2.gz VKMGCNKUMJFBIP-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001004585652 1267340499 /nfs/dbraw/zinc/34/04/99/1267340499.db2.gz IPTBLNMDPJYQLH-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001004585652 1267340503 /nfs/dbraw/zinc/34/05/03/1267340503.db2.gz IPTBLNMDPJYQLH-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085389486 1267351155 /nfs/dbraw/zinc/35/11/55/1267351155.db2.gz KSHTVCFDXZSBNK-BRWVUGGUSA-N 1 3 327.488 2.628 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633356 1267387957 /nfs/dbraw/zinc/38/79/57/1267387957.db2.gz UCFOOOYXMWIEEH-YRXWBPOGSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633356 1267387966 /nfs/dbraw/zinc/38/79/66/1267387966.db2.gz UCFOOOYXMWIEEH-YRXWBPOGSA-N 1 3 337.552 2.789 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004622046 1267402418 /nfs/dbraw/zinc/40/24/18/1267402418.db2.gz VUSXLRIWPSYAIB-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004622046 1267402423 /nfs/dbraw/zinc/40/24/23/1267402423.db2.gz VUSXLRIWPSYAIB-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001004617493 1267410469 /nfs/dbraw/zinc/41/04/69/1267410469.db2.gz QLGKTMQOOOUCAX-LYLYKKCESA-N 1 3 339.911 2.538 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001004617493 1267410471 /nfs/dbraw/zinc/41/04/71/1267410471.db2.gz QLGKTMQOOOUCAX-LYLYKKCESA-N 1 3 339.911 2.538 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001004617492 1267410909 /nfs/dbraw/zinc/41/09/09/1267410909.db2.gz QLGKTMQOOOUCAX-IOMDMTNGSA-N 1 3 339.911 2.538 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001004617492 1267410915 /nfs/dbraw/zinc/41/09/15/1267410915.db2.gz QLGKTMQOOOUCAX-IOMDMTNGSA-N 1 3 339.911 2.538 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004618439 1267411779 /nfs/dbraw/zinc/41/17/79/1267411779.db2.gz DTYFJVMIJIADQJ-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004618439 1267411782 /nfs/dbraw/zinc/41/17/82/1267411782.db2.gz DTYFJVMIJIADQJ-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618455 1267413253 /nfs/dbraw/zinc/41/32/53/1267413253.db2.gz WWCPHFBATPNPAQ-QZTJIDSGSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618455 1267413257 /nfs/dbraw/zinc/41/32/57/1267413257.db2.gz WWCPHFBATPNPAQ-QZTJIDSGSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1)c1ccccc1 ZINC001273078589 1267451595 /nfs/dbraw/zinc/45/15/95/1267451595.db2.gz JPZDUOOZPHQYFM-GOSISDBHSA-N 1 3 343.515 2.666 20 0 EFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001086602577 1278342104 /nfs/dbraw/zinc/34/21/04/1278342104.db2.gz HLUGKOWLEZKLKQ-RBUKOAKNSA-N 1 3 343.515 2.855 20 0 EFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001086602577 1278342117 /nfs/dbraw/zinc/34/21/17/1278342117.db2.gz HLUGKOWLEZKLKQ-RBUKOAKNSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001128533453 1267701586 /nfs/dbraw/zinc/70/15/86/1267701586.db2.gz MUDBARKSAZUZKS-BEFAXECRSA-N 1 3 349.494 2.622 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001128533454 1267701843 /nfs/dbraw/zinc/70/18/43/1267701843.db2.gz MUDBARKSAZUZKS-DNVCBOLYSA-N 1 3 349.494 2.622 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085589620 1267949633 /nfs/dbraw/zinc/94/96/33/1267949633.db2.gz PTHYTGRFAPCEBX-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085589620 1267949642 /nfs/dbraw/zinc/94/96/42/1267949642.db2.gz PTHYTGRFAPCEBX-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001113644376 1278371368 /nfs/dbraw/zinc/37/13/68/1278371368.db2.gz UQDLAJBAJMPKCQ-AQNXPRMDSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639026 1268089818 /nfs/dbraw/zinc/08/98/18/1268089818.db2.gz GMEMXTOMXQFWCQ-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639026 1268089832 /nfs/dbraw/zinc/08/98/32/1268089832.db2.gz GMEMXTOMXQFWCQ-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1cc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)s1 ZINC001273352313 1268096235 /nfs/dbraw/zinc/09/62/35/1268096235.db2.gz HXVVVOPIWVVNSZ-LJQANCHMSA-N 1 3 349.544 2.884 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c(C)s1 ZINC001273352313 1268096243 /nfs/dbraw/zinc/09/62/43/1268096243.db2.gz HXVVVOPIWVVNSZ-LJQANCHMSA-N 1 3 349.544 2.884 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004943996 1268202543 /nfs/dbraw/zinc/20/25/43/1268202543.db2.gz FVAIBITXLSPURM-VQIMIIECSA-N 1 3 340.471 2.820 20 0 EFADHO CN(C[C@@H]1CCN1CCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695946 1268211883 /nfs/dbraw/zinc/21/18/83/1268211883.db2.gz VRKHPZFFYFYGKG-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2ccn3cncc3c2)c1 ZINC001085699682 1268229783 /nfs/dbraw/zinc/22/97/83/1268229783.db2.gz UFMFLLKEFDAZIL-LJQANCHMSA-N 1 3 348.450 2.989 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2ccn3cncc3c2)c1 ZINC001085699682 1268229790 /nfs/dbraw/zinc/22/97/90/1268229790.db2.gz UFMFLLKEFDAZIL-LJQANCHMSA-N 1 3 348.450 2.989 20 0 EFADHO CN(C[C@H]1CCN1Cc1ccccc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700097 1268231911 /nfs/dbraw/zinc/23/19/11/1268231911.db2.gz FAJVAGRPFFSRET-GOSISDBHSA-N 1 3 334.423 2.681 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004951565 1268240926 /nfs/dbraw/zinc/24/09/26/1268240926.db2.gz FHIQCRRQVFTEAX-MAUKXSAKSA-N 1 3 326.444 2.512 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946764881 1268256851 /nfs/dbraw/zinc/25/68/51/1268256851.db2.gz CPGZBOLIIMKSKI-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946764881 1268256859 /nfs/dbraw/zinc/25/68/59/1268256859.db2.gz CPGZBOLIIMKSKI-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001033227007 1268305647 /nfs/dbraw/zinc/30/56/47/1268305647.db2.gz XWNQAWUJGDDDRR-LJQANCHMSA-N 1 3 341.499 2.656 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225065 1268312126 /nfs/dbraw/zinc/31/21/26/1268312126.db2.gz CZCMXLYXWBYZMK-PKOBYXMFSA-N 1 3 341.499 2.909 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225064 1268312856 /nfs/dbraw/zinc/31/28/56/1268312856.db2.gz CZCMXLYXWBYZMK-MJGOQNOKSA-N 1 3 341.499 2.909 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776610 1268481992 /nfs/dbraw/zinc/48/19/92/1268481992.db2.gz PTCRKHWTGGXGTP-KDURUIRLSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776610 1268481993 /nfs/dbraw/zinc/48/19/93/1268481993.db2.gz PTCRKHWTGGXGTP-KDURUIRLSA-N 1 3 347.547 2.855 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]3CC2)C1 ZINC000946779177 1268507960 /nfs/dbraw/zinc/50/79/60/1268507960.db2.gz JDUSGRDSBRAVLL-QRVBRYPASA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]3CC2)C1 ZINC000946779177 1268507969 /nfs/dbraw/zinc/50/79/69/1268507969.db2.gz JDUSGRDSBRAVLL-QRVBRYPASA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779897 1268520331 /nfs/dbraw/zinc/52/03/31/1268520331.db2.gz VAZRGZVILGTPLL-QRVBRYPASA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779897 1268520336 /nfs/dbraw/zinc/52/03/36/1268520336.db2.gz VAZRGZVILGTPLL-QRVBRYPASA-N 1 3 333.520 2.607 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799460 1268595764 /nfs/dbraw/zinc/59/57/64/1268595764.db2.gz RLWDUQNJVHYAHX-FXAWDEMLSA-N 1 3 343.515 2.931 20 0 EFADHO CN(C[C@H]1CCN1[C@@H]1CCc2ccccc21)C(=O)C1CC[NH+](C)CC1 ZINC001085799273 1268596258 /nfs/dbraw/zinc/59/62/58/1268596258.db2.gz NTJJCXGIYGHBLC-UYAOXDASSA-N 1 3 341.499 2.548 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125797 1268643118 /nfs/dbraw/zinc/64/31/18/1268643118.db2.gz RRTZYPFHCKHEQM-INDMIFKZSA-N 1 3 333.520 2.606 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125797 1268643121 /nfs/dbraw/zinc/64/31/21/1268643121.db2.gz RRTZYPFHCKHEQM-INDMIFKZSA-N 1 3 333.520 2.606 20 0 EFADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819569 1268654491 /nfs/dbraw/zinc/65/44/91/1268654491.db2.gz BGXYWFAAHRDZBN-VQIMIIECSA-N 1 3 349.494 2.685 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033295023 1268689760 /nfs/dbraw/zinc/68/97/60/1268689760.db2.gz HCTMWDZMEDPLIL-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033295023 1268689764 /nfs/dbraw/zinc/68/97/64/1268689764.db2.gz HCTMWDZMEDPLIL-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298006 1268707585 /nfs/dbraw/zinc/70/75/85/1268707585.db2.gz XYEOTOAUWBEBRA-LJQANCHMSA-N 1 3 343.515 2.903 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033319699 1268770494 /nfs/dbraw/zinc/77/04/94/1268770494.db2.gz RLSPVNLCGXQOJG-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033319699 1268770496 /nfs/dbraw/zinc/77/04/96/1268770496.db2.gz RLSPVNLCGXQOJG-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946808754 1268777185 /nfs/dbraw/zinc/77/71/85/1268777185.db2.gz SGUBTAKBODAHGA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946808754 1268777189 /nfs/dbraw/zinc/77/71/89/1268777189.db2.gz SGUBTAKBODAHGA-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001085856437 1268805579 /nfs/dbraw/zinc/80/55/79/1268805579.db2.gz ZADWRLFYTZKIAR-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001085856437 1268805592 /nfs/dbraw/zinc/80/55/92/1268805592.db2.gz ZADWRLFYTZKIAR-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC001033395292 1269011082 /nfs/dbraw/zinc/01/10/82/1269011082.db2.gz GRGLVIHULJNRBF-SFHVURJKSA-N 1 3 349.544 2.739 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417261 1269092267 /nfs/dbraw/zinc/09/22/67/1269092267.db2.gz VRPXBPOFYRQALJ-CRAIPNDOSA-N 1 3 327.488 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417261 1269092277 /nfs/dbraw/zinc/09/22/77/1269092277.db2.gz VRPXBPOFYRQALJ-CRAIPNDOSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCc3ccsc3)C2)C1 ZINC001033418996 1269098547 /nfs/dbraw/zinc/09/85/47/1269098547.db2.gz GDZWYEIYLZMJKY-FUHWJXTLSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC001033418996 1269098558 /nfs/dbraw/zinc/09/85/58/1269098558.db2.gz GDZWYEIYLZMJKY-FUHWJXTLSA-N 1 3 349.544 2.555 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001033419378 1269098963 /nfs/dbraw/zinc/09/89/63/1269098963.db2.gz JDBHNNZRWIAIDL-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001033419378 1269098974 /nfs/dbraw/zinc/09/89/74/1269098974.db2.gz JDBHNNZRWIAIDL-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033421276 1269124096 /nfs/dbraw/zinc/12/40/96/1269124096.db2.gz WIBLORVQCYKJLX-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033421276 1269124097 /nfs/dbraw/zinc/12/40/97/1269124097.db2.gz WIBLORVQCYKJLX-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033421274 1269124140 /nfs/dbraw/zinc/12/41/40/1269124140.db2.gz WIBLORVQCYKJLX-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033421274 1269124147 /nfs/dbraw/zinc/12/41/47/1269124147.db2.gz WIBLORVQCYKJLX-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001033423981 1269128591 /nfs/dbraw/zinc/12/85/91/1269128591.db2.gz PSVKJJUIDFVUPL-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001033423981 1269128596 /nfs/dbraw/zinc/12/85/96/1269128596.db2.gz PSVKJJUIDFVUPL-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928130 1269129958 /nfs/dbraw/zinc/12/99/58/1269129958.db2.gz OZWLEQIKIJOKGB-OALUTQOASA-N 1 3 341.499 2.766 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cc(OC)ccc2OC)C[C@@H]1C ZINC000740884260 1269151964 /nfs/dbraw/zinc/15/19/64/1269151964.db2.gz SSLXRXIYXXWTGK-MPGHIAIKSA-N 1 3 336.476 2.542 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cc(OC)ccc2OC)C[C@@H]1C ZINC000740884260 1269151967 /nfs/dbraw/zinc/15/19/67/1269151967.db2.gz SSLXRXIYXXWTGK-MPGHIAIKSA-N 1 3 336.476 2.542 20 0 EFADHO CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001005184547 1269329983 /nfs/dbraw/zinc/32/99/83/1269329983.db2.gz NOYORNZCWAVAEV-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001005185653 1269332213 /nfs/dbraw/zinc/33/22/13/1269332213.db2.gz UDRQCKWSWIBBIM-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001005177267 1269334798 /nfs/dbraw/zinc/33/47/98/1269334798.db2.gz BYRMHCLERPRPLO-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005179299 1269338139 /nfs/dbraw/zinc/33/81/39/1269338139.db2.gz MIRGPZOPZAQDLW-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972508 1269365266 /nfs/dbraw/zinc/36/52/66/1269365266.db2.gz AZQHMSOOYHRCKD-RBUKOAKNSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972508 1269365272 /nfs/dbraw/zinc/36/52/72/1269365272.db2.gz AZQHMSOOYHRCKD-RBUKOAKNSA-N 1 3 343.515 2.794 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCF)C1 ZINC001033574806 1269477354 /nfs/dbraw/zinc/47/73/54/1269477354.db2.gz NHTPYOJMDGUDPK-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCCF)C1 ZINC001033574806 1269477358 /nfs/dbraw/zinc/47/73/58/1269477358.db2.gz NHTPYOJMDGUDPK-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033574807 1269477540 /nfs/dbraw/zinc/47/75/40/1269477540.db2.gz NHTPYOJMDGUDPK-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(CCCF)C1 ZINC001033574807 1269477543 /nfs/dbraw/zinc/47/75/43/1269477543.db2.gz NHTPYOJMDGUDPK-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001033579978 1269485027 /nfs/dbraw/zinc/48/50/27/1269485027.db2.gz BXFPDFRBQNYWGG-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001033579978 1269485032 /nfs/dbraw/zinc/48/50/32/1269485032.db2.gz BXFPDFRBQNYWGG-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033581311 1269486908 /nfs/dbraw/zinc/48/69/08/1269486908.db2.gz JJGLPOIJJKUCFX-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033581311 1269486911 /nfs/dbraw/zinc/48/69/11/1269486911.db2.gz JJGLPOIJJKUCFX-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700789787 1269502808 /nfs/dbraw/zinc/50/28/08/1269502808.db2.gz YHQDCBUQWVNQLP-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700785545 1269503551 /nfs/dbraw/zinc/50/35/51/1269503551.db2.gz GZJLZQAWRKGPNK-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700801143 1269548015 /nfs/dbraw/zinc/54/80/15/1269548015.db2.gz AZKOXISBUABBEM-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO CCCCCCN(C)CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741708526 1269671097 /nfs/dbraw/zinc/67/10/97/1269671097.db2.gz RBYFTIGIONSRHG-UHFFFAOYSA-N 1 3 345.531 2.714 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001033684598 1269794112 /nfs/dbraw/zinc/79/41/12/1269794112.db2.gz OOJNRPCDFDJWQH-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001033684598 1269794124 /nfs/dbraw/zinc/79/41/24/1269794124.db2.gz OOJNRPCDFDJWQH-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001086084396 1269853728 /nfs/dbraw/zinc/85/37/28/1269853728.db2.gz PDJURDASYGAERR-BPQIPLTHSA-N 1 3 349.544 2.914 20 0 EFADHO CC[N@H+](CC1CCCC1)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155255530 1269855890 /nfs/dbraw/zinc/85/58/90/1269855890.db2.gz ROECJIOSBCYPCT-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001155255530 1269855905 /nfs/dbraw/zinc/85/59/05/1269855905.db2.gz ROECJIOSBCYPCT-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086085054 1269857346 /nfs/dbraw/zinc/85/73/46/1269857346.db2.gz QCJHPDGNAYLWIP-BPQIPLTHSA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086084818 1269858422 /nfs/dbraw/zinc/85/84/22/1269858422.db2.gz HRGRXXPYJCDBMM-OTWHNJEPSA-N 1 3 329.488 2.544 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@H]1C ZINC001410863766 1269916106 /nfs/dbraw/zinc/91/61/06/1269916106.db2.gz PQAHTQFUEMXAOO-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086091176 1269916704 /nfs/dbraw/zinc/91/67/04/1269916704.db2.gz MHXQRNONLXSMEB-MAPUTHEBSA-N 1 3 347.478 2.711 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086091176 1269916716 /nfs/dbraw/zinc/91/67/16/1269916716.db2.gz MHXQRNONLXSMEB-MAPUTHEBSA-N 1 3 347.478 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCCCC(F)(F)F)N(C)C ZINC001155289405 1269941891 /nfs/dbraw/zinc/94/18/91/1269941891.db2.gz QTTBVZYMPJZRQD-KGLIPLIRSA-N 1 3 339.446 2.886 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CCCCC(F)(F)F)N(C)C ZINC001155289405 1269941894 /nfs/dbraw/zinc/94/18/94/1269941894.db2.gz QTTBVZYMPJZRQD-KGLIPLIRSA-N 1 3 339.446 2.886 20 0 EFADHO C[C@@H]1[C@H](NCC=C(Cl)Cl)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001410868012 1269946718 /nfs/dbraw/zinc/94/67/18/1269946718.db2.gz SDHZZUNRWBMTFW-ZIAGYGMSSA-N 1 3 348.318 2.760 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086102259 1269973040 /nfs/dbraw/zinc/97/30/40/1269973040.db2.gz PGDANXDDHKELPE-NZSAHSFTSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086102445 1269974754 /nfs/dbraw/zinc/97/47/54/1269974754.db2.gz XMXPVEDGWUVKCJ-IXDOHACOSA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C[C@H]1C ZINC001410876006 1269995285 /nfs/dbraw/zinc/99/52/85/1269995285.db2.gz KQPYXVVQCXWLJU-OXQOHEQNSA-N 1 3 343.515 2.596 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033838460 1270321735 /nfs/dbraw/zinc/32/17/35/1270321735.db2.gz OMWBEJZLOFVALG-YZGWKJHDSA-N 1 3 343.515 2.758 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033838460 1270321744 /nfs/dbraw/zinc/32/17/44/1270321744.db2.gz OMWBEJZLOFVALG-YZGWKJHDSA-N 1 3 343.515 2.758 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC001033838388 1270322008 /nfs/dbraw/zinc/32/20/08/1270322008.db2.gz NRRSWBQBGWVGJT-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC001033838388 1270322019 /nfs/dbraw/zinc/32/20/19/1270322019.db2.gz NRRSWBQBGWVGJT-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001410946453 1270352258 /nfs/dbraw/zinc/35/22/58/1270352258.db2.gz BORZRPTUIVYIFP-SJLPKXTDSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033853481 1270386900 /nfs/dbraw/zinc/38/69/00/1270386900.db2.gz BTXVMNXQHRZIOY-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033853481 1270386906 /nfs/dbraw/zinc/38/69/06/1270386906.db2.gz BTXVMNXQHRZIOY-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932161 1270617902 /nfs/dbraw/zinc/61/79/02/1270617902.db2.gz IPHRIQCXIAQBMV-OALUTQOASA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CCN(CC=C(C)C)C2)C1 ZINC001033932161 1270617910 /nfs/dbraw/zinc/61/79/10/1270617910.db2.gz IPHRIQCXIAQBMV-OALUTQOASA-N 1 3 335.536 2.997 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086250563 1270679918 /nfs/dbraw/zinc/67/99/18/1270679918.db2.gz BOKLPFOVXXMBSN-CEXWTWQISA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271505 1270783386 /nfs/dbraw/zinc/78/33/86/1270783386.db2.gz BOEFCYLKFWLHBC-OAGGEKHMSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086271505 1270783392 /nfs/dbraw/zinc/78/33/92/1270783392.db2.gz BOEFCYLKFWLHBC-OAGGEKHMSA-N 1 3 349.906 2.585 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001034013644 1270829918 /nfs/dbraw/zinc/82/99/18/1270829918.db2.gz PQTNLPLEVYLXNT-IBGZPJMESA-N 1 3 341.499 2.514 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365606124 1270844407 /nfs/dbraw/zinc/84/44/07/1270844407.db2.gz ZRDUPQPTJJGLOV-IHPCNDPISA-N 1 3 343.515 2.840 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365606124 1270844410 /nfs/dbraw/zinc/84/44/10/1270844410.db2.gz ZRDUPQPTJJGLOV-IHPCNDPISA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273424668 1271145104 /nfs/dbraw/zinc/14/51/04/1271145104.db2.gz PEPHPTSZFSCARB-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273424668 1271145110 /nfs/dbraw/zinc/14/51/10/1271145110.db2.gz PEPHPTSZFSCARB-OAQYLSRUSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273424667 1271145377 /nfs/dbraw/zinc/14/53/77/1271145377.db2.gz PEPHPTSZFSCARB-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273424667 1271145380 /nfs/dbraw/zinc/14/53/80/1271145380.db2.gz PEPHPTSZFSCARB-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086364356 1271167351 /nfs/dbraw/zinc/16/73/51/1271167351.db2.gz ASPCBDHIJCXLLK-WDSOQIARSA-N 1 3 347.478 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2ccccc2C)C1)N(C)C ZINC001409973042 1271168282 /nfs/dbraw/zinc/16/82/82/1271168282.db2.gz VOYFNTARTWQFLB-PXNSSMCTSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001086364533 1271169071 /nfs/dbraw/zinc/16/90/71/1271169071.db2.gz IQEGLKRIGBMZTQ-UFYCRDLUSA-N 1 3 343.515 2.586 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001086364534 1271169269 /nfs/dbraw/zinc/16/92/69/1271169269.db2.gz IQEGLKRIGBMZTQ-VAMGGRTRSA-N 1 3 343.515 2.586 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086370023 1271176678 /nfs/dbraw/zinc/17/66/78/1271176678.db2.gz MHXQRNONLXSMEB-ULQWZQFMSA-N 1 3 347.478 2.711 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086370023 1271176679 /nfs/dbraw/zinc/17/66/79/1271176679.db2.gz MHXQRNONLXSMEB-ULQWZQFMSA-N 1 3 347.478 2.711 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC001034133260 1271184416 /nfs/dbraw/zinc/18/44/16/1271184416.db2.gz XGXBCIYYPMTEAG-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC001034133260 1271184420 /nfs/dbraw/zinc/18/44/20/1271184420.db2.gz XGXBCIYYPMTEAG-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1F ZINC001034133261 1271185329 /nfs/dbraw/zinc/18/53/29/1271185329.db2.gz XGXBCIYYPMTEAG-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1F ZINC001034133261 1271185335 /nfs/dbraw/zinc/18/53/35/1271185335.db2.gz XGXBCIYYPMTEAG-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034289340 1271569764 /nfs/dbraw/zinc/56/97/64/1271569764.db2.gz TUCRRCOVXXMCOM-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034289340 1271569771 /nfs/dbraw/zinc/56/97/71/1271569771.db2.gz TUCRRCOVXXMCOM-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330280 1271670848 /nfs/dbraw/zinc/67/08/48/1271670848.db2.gz LWDDNCSQIZGWAS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034330280 1271670851 /nfs/dbraw/zinc/67/08/51/1271670851.db2.gz LWDDNCSQIZGWAS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331655 1271674884 /nfs/dbraw/zinc/67/48/84/1271674884.db2.gz UXAGTJYLKZUZSF-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331655 1271674888 /nfs/dbraw/zinc/67/48/88/1271674888.db2.gz UXAGTJYLKZUZSF-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331659 1271675836 /nfs/dbraw/zinc/67/58/36/1271675836.db2.gz UXAGTJYLKZUZSF-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331659 1271675848 /nfs/dbraw/zinc/67/58/48/1271675848.db2.gz UXAGTJYLKZUZSF-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO CC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001034340483 1271702368 /nfs/dbraw/zinc/70/23/68/1271702368.db2.gz OMDOPIUWEWPPOD-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[N@H+]2CCCC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001034340483 1271702383 /nfs/dbraw/zinc/70/23/83/1271702383.db2.gz OMDOPIUWEWPPOD-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341043 1271703951 /nfs/dbraw/zinc/70/39/51/1271703951.db2.gz ZBRZUDNQTYFVCZ-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341043 1271703956 /nfs/dbraw/zinc/70/39/56/1271703956.db2.gz ZBRZUDNQTYFVCZ-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000792236643 1278659925 /nfs/dbraw/zinc/65/99/25/1278659925.db2.gz ORVJHTVSOQWUIE-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)C1 ZINC001034395681 1271884127 /nfs/dbraw/zinc/88/41/27/1271884127.db2.gz BODCXHJIFVOXRD-MAUKXSAKSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034395681 1271884143 /nfs/dbraw/zinc/88/41/43/1271884143.db2.gz BODCXHJIFVOXRD-MAUKXSAKSA-N 1 3 345.478 2.529 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001034486799 1272138477 /nfs/dbraw/zinc/13/84/77/1272138477.db2.gz MEDWQJKSXVVHOK-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761033 1272171932 /nfs/dbraw/zinc/17/19/32/1272171932.db2.gz DMWYSGXYSHAUIO-XLIONFOSSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761033 1272171937 /nfs/dbraw/zinc/17/19/37/1272171937.db2.gz DMWYSGXYSHAUIO-XLIONFOSSA-N 1 3 328.431 2.971 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](CCCF)C1 ZINC001034544351 1272258978 /nfs/dbraw/zinc/25/89/78/1272258978.db2.gz QGDGHYCJAJLDEE-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](CCCF)C1 ZINC001034544351 1272258985 /nfs/dbraw/zinc/25/89/85/1272258985.db2.gz QGDGHYCJAJLDEE-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168807549 1272414338 /nfs/dbraw/zinc/41/43/38/1272414338.db2.gz OYQPPSDUVIUWEE-HOCLYGCPSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1C[C@@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824263 1272427208 /nfs/dbraw/zinc/42/72/08/1272427208.db2.gz OLDOSPFJJHWTMP-GDBMZVCRSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832327 1272433778 /nfs/dbraw/zinc/43/37/78/1272433778.db2.gz ZYVYRXUEQLEHEA-PBHICJAKSA-N 1 3 337.508 2.848 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001168756412 1272620535 /nfs/dbraw/zinc/62/05/35/1272620535.db2.gz YAWHBOUCWFQHGZ-QGZVFWFLSA-N 1 3 337.895 2.765 20 0 EFADHO CCOC(=O)CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)Cc2ccccc2C1 ZINC001169089801 1272668386 /nfs/dbraw/zinc/66/83/86/1272668386.db2.gz GBJOPXJIIKXPPI-REPLKXPHSA-N 1 3 342.483 2.692 20 0 EFADHO CCOC(=O)CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)Cc2ccccc2C1 ZINC001169089801 1272668400 /nfs/dbraw/zinc/66/84/00/1272668400.db2.gz GBJOPXJIIKXPPI-REPLKXPHSA-N 1 3 342.483 2.692 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cccc(N3CCCOC3=O)c1)C2 ZINC001169119058 1272675121 /nfs/dbraw/zinc/67/51/21/1272675121.db2.gz PMRQYSRUMZILCN-OSYLJGHBSA-N 1 3 329.444 2.748 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169129912 1272686903 /nfs/dbraw/zinc/68/69/03/1272686903.db2.gz LRRWRURFBCOKBS-UHDSXZAQSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169129912 1272686907 /nfs/dbraw/zinc/68/69/07/1272686907.db2.gz LRRWRURFBCOKBS-UHDSXZAQSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169132984 1272691785 /nfs/dbraw/zinc/69/17/85/1272691785.db2.gz AYRBXELAERVIGZ-LJDSDSDDSA-N 1 3 334.504 2.662 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@]3(C[C@H](OCC4CC4)CO3)C1)C2 ZINC001169132984 1272691789 /nfs/dbraw/zinc/69/17/89/1272691789.db2.gz AYRBXELAERVIGZ-LJDSDSDDSA-N 1 3 334.504 2.662 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ncnc(-c4cccnc4)c3CC1)C2 ZINC001169133627 1272691864 /nfs/dbraw/zinc/69/18/64/1272691864.db2.gz IIDALOIJRMKJHA-PIIMJCKOSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ncnc(-c4cccnc4)c3CC1)C2 ZINC001169133627 1272691870 /nfs/dbraw/zinc/69/18/70/1272691870.db2.gz IIDALOIJRMKJHA-PIIMJCKOSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001169111888 1272702551 /nfs/dbraw/zinc/70/25/51/1272702551.db2.gz QSCBIDBSCHBZDZ-YHPRMOQLSA-N 1 3 335.492 2.742 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001169111888 1272702557 /nfs/dbraw/zinc/70/25/57/1272702557.db2.gz QSCBIDBSCHBZDZ-YHPRMOQLSA-N 1 3 335.492 2.742 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C2 ZINC001169142323 1272704117 /nfs/dbraw/zinc/70/41/17/1272704117.db2.gz TULSWLVSUGWFST-MUJYYYPQSA-N 1 3 337.508 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C)(NC(=O)OC(C)(C)C)CC1)C2 ZINC001169142323 1272704125 /nfs/dbraw/zinc/70/41/25/1272704125.db2.gz TULSWLVSUGWFST-MUJYYYPQSA-N 1 3 337.508 2.991 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140492 1272725867 /nfs/dbraw/zinc/72/58/67/1272725867.db2.gz KLGRILGNLBMHSL-MWDXBVQZSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140492 1272725872 /nfs/dbraw/zinc/72/58/72/1272725872.db2.gz KLGRILGNLBMHSL-MWDXBVQZSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140498 1272726557 /nfs/dbraw/zinc/72/65/57/1272726557.db2.gz KLGRILGNLBMHSL-WCXIOVBPSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140498 1272726565 /nfs/dbraw/zinc/72/65/65/1272726565.db2.gz KLGRILGNLBMHSL-WCXIOVBPSA-N 1 3 337.508 2.848 20 0 EFADHO CC[NH+]1CCC(N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001169251183 1272773429 /nfs/dbraw/zinc/77/34/29/1272773429.db2.gz VLPQHINHSLPAJH-NVXWUHKLSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034737520 1272787642 /nfs/dbraw/zinc/78/76/42/1272787642.db2.gz LBFXTIGVFWKVPU-DJIMGWMZSA-N 1 3 335.517 2.749 20 0 EFADHO C[C@@H]1CN(Cc2ccc(Br)cc2N)CCC[C@@H]1C[NH3+] ZINC001206005866 1272791311 /nfs/dbraw/zinc/79/13/11/1272791311.db2.gz ZAHOYGJNCSIYJN-VXGBXAGGSA-N 1 3 326.282 2.838 20 0 EFADHO CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1-n1nncc1CN ZINC001169311157 1272831348 /nfs/dbraw/zinc/83/13/48/1272831348.db2.gz DLCAYVCHYKUESU-UHFFFAOYSA-N 1 3 327.354 2.587 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001034832200 1273099541 /nfs/dbraw/zinc/09/95/41/1273099541.db2.gz LTJYWTRAUMPXTG-UHFFFAOYSA-N 1 3 325.456 2.788 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034831970 1273099789 /nfs/dbraw/zinc/09/97/89/1273099789.db2.gz HRXUWLRLTSBPHU-LJQANCHMSA-N 1 3 329.488 2.677 20 0 EFADHO CCOC(=O)N1CCC[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001169713799 1273116660 /nfs/dbraw/zinc/11/66/60/1273116660.db2.gz QMVIUDYSMPICJB-QGZVFWFLSA-N 1 3 346.475 2.523 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169720276 1273121330 /nfs/dbraw/zinc/12/13/30/1273121330.db2.gz HFEWZWQIBZHILX-LJQANCHMSA-N 1 3 329.488 2.755 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034881495 1273145637 /nfs/dbraw/zinc/14/56/37/1273145637.db2.gz JEQYWCOKJXCJBA-QZTJIDSGSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001034885439 1273149940 /nfs/dbraw/zinc/14/99/40/1273149940.db2.gz SYWBHJNMIKTXJB-SJORKVTESA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034936040 1273220003 /nfs/dbraw/zinc/22/00/03/1273220003.db2.gz HZXHWQAFZYGVEU-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034936040 1273220014 /nfs/dbraw/zinc/22/00/14/1273220014.db2.gz HZXHWQAFZYGVEU-MJGOQNOKSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957505 1273270587 /nfs/dbraw/zinc/27/05/87/1273270587.db2.gz YFPBHEYNCJEGPW-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC001034957673 1273271124 /nfs/dbraw/zinc/27/11/24/1273271124.db2.gz DTJKBEWYZGTIRM-LJQANCHMSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001034957399 1273271431 /nfs/dbraw/zinc/27/14/31/1273271431.db2.gz SDZRSXTYUJXKFA-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001034973805 1273294224 /nfs/dbraw/zinc/29/42/24/1273294224.db2.gz DAGYYQAEFCGHFK-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001034974962 1273297941 /nfs/dbraw/zinc/29/79/41/1273297941.db2.gz MRUWIYBPCBGZQK-NZSAHSFTSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001034975557 1273300420 /nfs/dbraw/zinc/30/04/20/1273300420.db2.gz TUHJKVMQTNLPJW-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c(C)c1 ZINC001034961863 1273314887 /nfs/dbraw/zinc/31/48/87/1273314887.db2.gz WQRPWIWZNGGLLY-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001034965286 1273318952 /nfs/dbraw/zinc/31/89/52/1273318952.db2.gz HKUHBXRLSYMUBD-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001034964960 1273319222 /nfs/dbraw/zinc/31/92/22/1273319222.db2.gz BBIHBCVTOGFGKB-HOJAQTOUSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001034966472 1273320843 /nfs/dbraw/zinc/32/08/43/1273320843.db2.gz QYESGICXABRBOJ-SJORKVTESA-N 1 3 337.533 2.723 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704951 1273379210 /nfs/dbraw/zinc/37/92/10/1273379210.db2.gz VZBFPZPTTNPLSY-WTOOOLASSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001035039421 1273426052 /nfs/dbraw/zinc/42/60/52/1273426052.db2.gz BBIHBCVTOGFGKB-MISYRCLQSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001035039494 1273426130 /nfs/dbraw/zinc/42/61/30/1273426130.db2.gz DQFHCIRMNJOVIS-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001035040153 1273427755 /nfs/dbraw/zinc/42/77/55/1273427755.db2.gz USYUIFXTHPUKQK-RTBURBONSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC001035050705 1273467830 /nfs/dbraw/zinc/46/78/30/1273467830.db2.gz GVPYCPZMODMERQ-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001035050232 1273468791 /nfs/dbraw/zinc/46/87/91/1273468791.db2.gz XONKJRKOGFSKGL-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035051594 1273469126 /nfs/dbraw/zinc/46/91/26/1273469126.db2.gz PHZRPRFSHLKWHK-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001035052502 1273470623 /nfs/dbraw/zinc/47/06/23/1273470623.db2.gz YSEOZCCNYBFGSP-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001035052504 1273470870 /nfs/dbraw/zinc/47/08/70/1273470870.db2.gz YSEOZCCNYBFGSP-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001035052513 1273471140 /nfs/dbraw/zinc/47/11/40/1273471140.db2.gz YZPWLKZABARSOD-VQIMIIECSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cs1 ZINC001035052710 1273471539 /nfs/dbraw/zinc/47/15/39/1273471539.db2.gz ZLQZBLJNNABTRN-RHSMWYFYSA-N 1 3 335.517 2.621 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)CC1 ZINC001035086351 1273493224 /nfs/dbraw/zinc/49/32/24/1273493224.db2.gz SROOZFIWWNOMEY-QGZVFWFLSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C(C)C)C2 ZINC001108831949 1273523272 /nfs/dbraw/zinc/52/32/72/1273523272.db2.gz LJWDYXBKEPAJNA-SXLOBPIMSA-N 1 3 343.515 2.804 20 0 EFADHO COc1ccc(CN2CCN(CCCCCCC[NH3+])CC2)cc1F ZINC000844220911 1278795226 /nfs/dbraw/zinc/79/52/26/1278795226.db2.gz OZOBXPLZMAHNJP-UHFFFAOYSA-N 1 3 337.483 2.861 20 0 EFADHO COc1ccc(F)cc1CN1CCN(CCCCCCC[NH3+])CC1 ZINC000844220905 1278794917 /nfs/dbraw/zinc/79/49/17/1278794917.db2.gz OIZMOFMAZPEMDU-UHFFFAOYSA-N 1 3 337.483 2.861 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001035134020 1273605888 /nfs/dbraw/zinc/60/58/88/1273605888.db2.gz QYSGNEBJMIVSTF-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001035134057 1273607078 /nfs/dbraw/zinc/60/70/78/1273607078.db2.gz RUPXPQJLNRDYIN-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)[C@@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000704789873 1273660578 /nfs/dbraw/zinc/66/05/78/1273660578.db2.gz WQQLIIQYZSQUTA-SJORKVTESA-N 1 3 325.447 2.811 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1 ZINC001035166619 1273678141 /nfs/dbraw/zinc/67/81/41/1273678141.db2.gz RRVIDTYEMQPBEJ-QGZVFWFLSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC001035166619 1273678147 /nfs/dbraw/zinc/67/81/47/1273678147.db2.gz RRVIDTYEMQPBEJ-QGZVFWFLSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H](C(=O)NCCCCCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000844201851 1278807142 /nfs/dbraw/zinc/80/71/42/1278807142.db2.gz UZJKRACKFKDOSV-SFHVURJKSA-N 1 3 345.531 2.965 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196473 1273757537 /nfs/dbraw/zinc/75/75/37/1273757537.db2.gz LBRJNZQHQIHKEW-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196473 1273757545 /nfs/dbraw/zinc/75/75/45/1273757545.db2.gz LBRJNZQHQIHKEW-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035197541 1273762197 /nfs/dbraw/zinc/76/21/97/1273762197.db2.gz YUYFCSZXAMYFSF-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035197541 1273762200 /nfs/dbraw/zinc/76/22/00/1273762200.db2.gz YUYFCSZXAMYFSF-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035197396 1273762893 /nfs/dbraw/zinc/76/28/93/1273762893.db2.gz MCFJHZCZQZBSSJ-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035197396 1273762899 /nfs/dbraw/zinc/76/28/99/1273762899.db2.gz MCFJHZCZQZBSSJ-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001035198064 1273764481 /nfs/dbraw/zinc/76/44/81/1273764481.db2.gz CNHRFXBUUOOYHU-UFNQUYMESA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001035198064 1273764486 /nfs/dbraw/zinc/76/44/86/1273764486.db2.gz CNHRFXBUUOOYHU-UFNQUYMESA-N 1 3 339.911 2.538 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](C/C=C/Cl)C3)CC2)CCC1 ZINC001035193514 1273814997 /nfs/dbraw/zinc/81/49/97/1273814997.db2.gz FCCUHGOCDXGWDN-ONNFQVAWSA-N 1 3 339.911 2.538 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](C/C=C/Cl)C3)CC2)CCC1 ZINC001035193514 1273815003 /nfs/dbraw/zinc/81/50/03/1273815003.db2.gz FCCUHGOCDXGWDN-ONNFQVAWSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193672 1273815095 /nfs/dbraw/zinc/81/50/95/1273815095.db2.gz LUWHPFWDCXHPRV-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193672 1273815107 /nfs/dbraw/zinc/81/51/07/1273815107.db2.gz LUWHPFWDCXHPRV-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035193888 1273815558 /nfs/dbraw/zinc/81/55/58/1273815558.db2.gz RMTSRWQAZUJECH-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035193888 1273815566 /nfs/dbraw/zinc/81/55/66/1273815566.db2.gz RMTSRWQAZUJECH-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN(C)C2CCC2)CC3)C1 ZINC001035194596 1273818111 /nfs/dbraw/zinc/81/81/11/1273818111.db2.gz VDFWKTDQWSIELR-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN(C)C2CCC2)CC3)C1 ZINC001035194596 1273818121 /nfs/dbraw/zinc/81/81/21/1273818121.db2.gz VDFWKTDQWSIELR-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035224409 1273840046 /nfs/dbraw/zinc/84/00/46/1273840046.db2.gz KNHWGEWKRJLVBH-CTWPCTMYSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035224409 1273840050 /nfs/dbraw/zinc/84/00/50/1273840050.db2.gz KNHWGEWKRJLVBH-CTWPCTMYSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035225974 1273843822 /nfs/dbraw/zinc/84/38/22/1273843822.db2.gz CUMFIMJKMLBAJM-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035225974 1273843832 /nfs/dbraw/zinc/84/38/32/1273843832.db2.gz CUMFIMJKMLBAJM-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035225981 1273843907 /nfs/dbraw/zinc/84/39/07/1273843907.db2.gz CUMFIMJKMLBAJM-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035225981 1273843913 /nfs/dbraw/zinc/84/39/13/1273843913.db2.gz CUMFIMJKMLBAJM-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227398 1273849417 /nfs/dbraw/zinc/84/94/17/1273849417.db2.gz QPXFQGBPSZXHQZ-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227398 1273849427 /nfs/dbraw/zinc/84/94/27/1273849427.db2.gz QPXFQGBPSZXHQZ-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227354 1273849736 /nfs/dbraw/zinc/84/97/36/1273849736.db2.gz PNDXDFWXEGZLBF-SFHVURJKSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227354 1273849742 /nfs/dbraw/zinc/84/97/42/1273849742.db2.gz PNDXDFWXEGZLBF-SFHVURJKSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227675 1273849787 /nfs/dbraw/zinc/84/97/87/1273849787.db2.gz VIOGTGCFZSSGFH-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227675 1273849795 /nfs/dbraw/zinc/84/97/95/1273849795.db2.gz VIOGTGCFZSSGFH-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227399 1273849873 /nfs/dbraw/zinc/84/98/73/1273849873.db2.gz QPXFQGBPSZXHQZ-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227399 1273849878 /nfs/dbraw/zinc/84/98/78/1273849878.db2.gz QPXFQGBPSZXHQZ-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227746 1273851066 /nfs/dbraw/zinc/85/10/66/1273851066.db2.gz XHRYBNDMIBQOCJ-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227746 1273851072 /nfs/dbraw/zinc/85/10/72/1273851072.db2.gz XHRYBNDMIBQOCJ-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CC4CCCC4)C3)CC2)C1 ZINC001035227813 1273852887 /nfs/dbraw/zinc/85/28/87/1273852887.db2.gz ZSFIOADRYPDMBH-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CCCC4)C3)CC2)C1 ZINC001035227813 1273852898 /nfs/dbraw/zinc/85/28/98/1273852898.db2.gz ZSFIOADRYPDMBH-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001035230712 1273938739 /nfs/dbraw/zinc/93/87/39/1273938739.db2.gz DMHMDVJQDMUITP-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001035230712 1273938746 /nfs/dbraw/zinc/93/87/46/1273938746.db2.gz DMHMDVJQDMUITP-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001035254187 1273984383 /nfs/dbraw/zinc/98/43/83/1273984383.db2.gz BUKSXARIUYHAIV-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CCC3CCCC3)C2)CC1 ZINC001035254187 1273984388 /nfs/dbraw/zinc/98/43/88/1273984388.db2.gz BUKSXARIUYHAIV-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359459 1274189961 /nfs/dbraw/zinc/18/99/61/1274189961.db2.gz MMDQKWZYAWQYDF-ROSKVGBISA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109359459 1274189970 /nfs/dbraw/zinc/18/99/70/1274189970.db2.gz MMDQKWZYAWQYDF-ROSKVGBISA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371782 1274201057 /nfs/dbraw/zinc/20/10/57/1274201057.db2.gz UPSCBVULYXLTQY-RQYFEWIXSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371782 1274201060 /nfs/dbraw/zinc/20/10/60/1274201060.db2.gz UPSCBVULYXLTQY-RQYFEWIXSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371781 1274201385 /nfs/dbraw/zinc/20/13/85/1274201385.db2.gz UPSCBVULYXLTQY-REAYBDLQSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CCC)C2 ZINC001109371781 1274201394 /nfs/dbraw/zinc/20/13/94/1274201394.db2.gz UPSCBVULYXLTQY-REAYBDLQSA-N 1 3 333.520 2.939 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109419590 1274256530 /nfs/dbraw/zinc/25/65/30/1274256530.db2.gz WNDPKELSNVGXEV-ZRNYENFQSA-N 1 3 341.499 2.783 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109419590 1274256533 /nfs/dbraw/zinc/25/65/33/1274256533.db2.gz WNDPKELSNVGXEV-ZRNYENFQSA-N 1 3 341.499 2.783 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035706749 1274386191 /nfs/dbraw/zinc/38/61/91/1274386191.db2.gz KKQJEKZITYLKJO-GOSISDBHSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035706749 1274386195 /nfs/dbraw/zinc/38/61/95/1274386195.db2.gz KKQJEKZITYLKJO-GOSISDBHSA-N 1 3 333.520 2.750 20 0 EFADHO CC[C@@H](F)CN1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035743347 1274402811 /nfs/dbraw/zinc/40/28/11/1274402811.db2.gz GDWCOQKVFJNFOH-MRXNPFEDSA-N 1 3 344.434 2.620 20 0 EFADHO CC[C@H](F)CN1CC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035743345 1274402963 /nfs/dbraw/zinc/40/29/63/1274402963.db2.gz GDWCOQKVFJNFOH-INIZCTEOSA-N 1 3 344.434 2.620 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)C1CC1 ZINC001035720569 1274405811 /nfs/dbraw/zinc/40/58/11/1274405811.db2.gz KJCRHDRLLIKCLK-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CC2 ZINC001035720286 1274406664 /nfs/dbraw/zinc/40/66/64/1274406664.db2.gz LJEVETJHQSWWQH-IBGZPJMESA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035720286 1274406671 /nfs/dbraw/zinc/40/66/71/1274406671.db2.gz LJEVETJHQSWWQH-IBGZPJMESA-N 1 3 347.547 2.855 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)C1CCC1 ZINC001035723542 1274410849 /nfs/dbraw/zinc/41/08/49/1274410849.db2.gz JTBSMVLSQCNRBG-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)N(C)C ZINC001035731642 1274421495 /nfs/dbraw/zinc/42/14/95/1274421495.db2.gz KYKYRWJJGLCFEO-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555297 1274423956 /nfs/dbraw/zinc/42/39/56/1274423956.db2.gz KPYSVQJBQMSFSX-NTWHDNFRSA-N 1 3 345.531 2.939 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555297 1274423960 /nfs/dbraw/zinc/42/39/60/1274423960.db2.gz KPYSVQJBQMSFSX-NTWHDNFRSA-N 1 3 345.531 2.939 20 0 EFADHO C[N@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)C1CCCCC1 ZINC001109561883 1274426778 /nfs/dbraw/zinc/42/67/78/1274426778.db2.gz SFAUWKUBWNWPDX-SQNIBIBYSA-N 1 3 339.499 2.722 20 0 EFADHO C[N@@H+](CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCF)C1CCCCC1 ZINC001109561883 1274426785 /nfs/dbraw/zinc/42/67/85/1274426785.db2.gz SFAUWKUBWNWPDX-SQNIBIBYSA-N 1 3 339.499 2.722 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035739517 1274432570 /nfs/dbraw/zinc/43/25/70/1274432570.db2.gz XTIIFZFSYBDONF-UHFFFAOYSA-N 1 3 331.504 2.505 20 0 EFADHO CCC[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035794199 1274492339 /nfs/dbraw/zinc/49/23/39/1274492339.db2.gz ADSOAHQPHPDVEW-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001035797807 1274495432 /nfs/dbraw/zinc/49/54/32/1274495432.db2.gz IKHXOJVXEAQLGT-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001035798880 1274497070 /nfs/dbraw/zinc/49/70/70/1274497070.db2.gz RBGOMRYCWBKNQP-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)c1 ZINC001109648806 1274515949 /nfs/dbraw/zinc/51/59/49/1274515949.db2.gz DKNQUMSPJDXKMU-QYZOEREBSA-N 1 3 341.499 2.558 20 0 EFADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)CN2CCC(C)CC2)CC3)C1 ZINC001035823489 1274519258 /nfs/dbraw/zinc/51/92/58/1274519258.db2.gz HJWBACWOSHFIDD-UHFFFAOYSA-N 1 3 347.547 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001035803851 1274527627 /nfs/dbraw/zinc/52/76/27/1274527627.db2.gz HGWKXUMXBUPKHF-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CCCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1 ZINC001109673252 1274546287 /nfs/dbraw/zinc/54/62/87/1274546287.db2.gz GEUDJHJNDDWKHO-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674370 1274547716 /nfs/dbraw/zinc/54/77/16/1274547716.db2.gz FDVQLOKHWUFVLS-XWSJACJDSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814564 1274548855 /nfs/dbraw/zinc/54/88/55/1274548855.db2.gz OSONIYDJFYXRAN-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814564 1274548860 /nfs/dbraw/zinc/54/88/60/1274548860.db2.gz OSONIYDJFYXRAN-OALUTQOASA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001109688368 1274555291 /nfs/dbraw/zinc/55/52/91/1274555291.db2.gz LMKUDDOMIPNSER-VSZNYVQBSA-N 1 3 335.536 2.730 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001109688368 1274555297 /nfs/dbraw/zinc/55/52/97/1274555297.db2.gz LMKUDDOMIPNSER-VSZNYVQBSA-N 1 3 335.536 2.730 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)N(C)C ZINC001109688354 1274555360 /nfs/dbraw/zinc/55/53/60/1274555360.db2.gz KWFFLVKIDAJSMU-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)N(C)C ZINC001109688354 1274555363 /nfs/dbraw/zinc/55/53/63/1274555363.db2.gz KWFFLVKIDAJSMU-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001035836089 1274573178 /nfs/dbraw/zinc/57/31/78/1274573178.db2.gz GBJNSAXKMGCJKM-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1 ZINC001035856717 1274603647 /nfs/dbraw/zinc/60/36/47/1274603647.db2.gz AGTXVEPUXAWLIT-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035856767 1274603914 /nfs/dbraw/zinc/60/39/14/1274603914.db2.gz CDSPKLIBEPZPBU-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035857978 1274607307 /nfs/dbraw/zinc/60/73/07/1274607307.db2.gz OKGOGBJRUMMBMT-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H]1C[C@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CCO1 ZINC001170216662 1278890596 /nfs/dbraw/zinc/89/05/96/1278890596.db2.gz IIMKDMZUNVVSPR-RTBURBONSA-N 1 3 346.519 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109928052 1274844571 /nfs/dbraw/zinc/84/45/71/1274844571.db2.gz FFGCTCFHTBURSH-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001109928052 1274844581 /nfs/dbraw/zinc/84/45/81/1274844581.db2.gz FFGCTCFHTBURSH-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036053889 1274977725 /nfs/dbraw/zinc/97/77/25/1274977725.db2.gz IEGLOBCWXVDTBI-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001036055066 1274981579 /nfs/dbraw/zinc/98/15/79/1274981579.db2.gz NGCGBHPUWTXNCJ-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001036056521 1274982524 /nfs/dbraw/zinc/98/25/24/1274982524.db2.gz VOKLHDGMGUNMJL-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC001036055935 1274982635 /nfs/dbraw/zinc/98/26/35/1274982635.db2.gz RJTKXFQMXLHZKC-RDJZCZTQSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036055965 1274982773 /nfs/dbraw/zinc/98/27/73/1274982773.db2.gz SDUPXCHSXSXIKE-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036063986 1274994304 /nfs/dbraw/zinc/99/43/04/1274994304.db2.gz SJEISZIQBCZXGK-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036063990 1274994316 /nfs/dbraw/zinc/99/43/16/1274994316.db2.gz SJEISZIQBCZXGK-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036065323 1275016917 /nfs/dbraw/zinc/01/69/17/1275016917.db2.gz OLCNBGNYAIAZNB-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)cs1 ZINC001036067134 1275021144 /nfs/dbraw/zinc/02/11/44/1275021144.db2.gz SYWASDZKRDNGHL-KDOFPFPSSA-N 1 3 349.544 2.867 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)C2)C1 ZINC001112548792 1275129300 /nfs/dbraw/zinc/12/93/00/1275129300.db2.gz RVAOPZRIIVGYPJ-BZWMRVRASA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)C)C1 ZINC001112548598 1275129443 /nfs/dbraw/zinc/12/94/43/1275129443.db2.gz HRRFVYGYKIYKJI-ICSRJNTNSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036193178 1275203487 /nfs/dbraw/zinc/20/34/87/1275203487.db2.gz LLZANVOREZEUEQ-QFBILLFUSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001036197175 1275209799 /nfs/dbraw/zinc/20/97/99/1275209799.db2.gz WISWJNWTXDFRHV-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036197056 1275210235 /nfs/dbraw/zinc/21/02/35/1275210235.db2.gz BZXBYAPHQBDWLN-VQIMIIECSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036197049 1275210253 /nfs/dbraw/zinc/21/02/53/1275210253.db2.gz BZXBYAPHQBDWLN-APWZRJJASA-N 1 3 340.471 2.596 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@H](C)C2)CC1 ZINC001036225071 1275252532 /nfs/dbraw/zinc/25/25/32/1275252532.db2.gz MMNTUFKYSJVVCA-AEFFLSMTSA-N 1 3 349.544 2.807 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)[C@H](C)C2)CC1 ZINC001036225075 1275253038 /nfs/dbraw/zinc/25/30/38/1275253038.db2.gz MMNTUFKYSJVVCA-SJLPKXTDSA-N 1 3 349.544 2.807 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)[C@H](C)C2)CC1 ZINC001036226860 1275256454 /nfs/dbraw/zinc/25/64/54/1275256454.db2.gz VLAXOZWIRAKQHX-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001112586437 1275313064 /nfs/dbraw/zinc/31/30/64/1275313064.db2.gz ZMZHOSJEBNECRK-FPOVZHCZSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036301574 1275382216 /nfs/dbraw/zinc/38/22/16/1275382216.db2.gz GANOSSHBMASPLQ-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CC1 ZINC001036305911 1275426497 /nfs/dbraw/zinc/42/64/97/1275426497.db2.gz VJDVXDFLEBMTIM-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036306638 1275427346 /nfs/dbraw/zinc/42/73/46/1275427346.db2.gz YEOCITSLIQNZLH-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCC1CC1 ZINC001036307223 1275428462 /nfs/dbraw/zinc/42/84/62/1275428462.db2.gz ZKTLYCMONOWCNV-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786833706 1275537353 /nfs/dbraw/zinc/53/73/53/1275537353.db2.gz ZLKBQZQXWUGOFY-DLBZAZTESA-N 1 3 344.503 2.987 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408215 1275549898 /nfs/dbraw/zinc/54/98/98/1275549898.db2.gz FASZYOZHIRRAHC-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001036448403 1275606689 /nfs/dbraw/zinc/60/66/89/1275606689.db2.gz AYLVFHPDNIHPKO-FUHWJXTLSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448938 1275607830 /nfs/dbraw/zinc/60/78/30/1275607830.db2.gz CKQNWEOLPJRBMY-WBVHZDCISA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036469612 1275712865 /nfs/dbraw/zinc/71/28/65/1275712865.db2.gz ASVUDSISBYPYEI-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086558452 1275887765 /nfs/dbraw/zinc/88/77/65/1275887765.db2.gz QKPOEKFKKFIUJY-SAABIXHNSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@@H](Cc1ccccc1Cl)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001170284718 1279002312 /nfs/dbraw/zinc/00/23/12/1279002312.db2.gz PFYFMKQGUVVUPW-INIZCTEOSA-N 1 3 335.923 2.983 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135975987 1276274064 /nfs/dbraw/zinc/27/40/64/1276274064.db2.gz FWOOJNZZFVUEIK-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135976687 1276275034 /nfs/dbraw/zinc/27/50/34/1276275034.db2.gz LTSNRALODGVHKD-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135976691 1276275042 /nfs/dbraw/zinc/27/50/42/1276275042.db2.gz LTSNRALODGVHKD-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135976975 1276275481 /nfs/dbraw/zinc/27/54/81/1276275481.db2.gz OXCJMEDGVNROBC-IAGOWNOFSA-N 1 3 348.535 2.920 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135977647 1276275509 /nfs/dbraw/zinc/27/55/09/1276275509.db2.gz WXHZYKYFCNLAAX-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135977535 1276276037 /nfs/dbraw/zinc/27/60/37/1276276037.db2.gz VBUOWNBEEBKYQE-IRXDYDNUSA-N 1 3 345.531 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135977736 1276276669 /nfs/dbraw/zinc/27/66/69/1276276669.db2.gz YIFVVEPAEMKOJY-SJORKVTESA-N 1 3 349.519 2.548 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031131 1276338957 /nfs/dbraw/zinc/33/89/57/1276338957.db2.gz GEONYFFVIIXFNA-GJZGRUSLSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001136031371 1276339975 /nfs/dbraw/zinc/33/99/75/1276339975.db2.gz JMVWQXQAHCAVLO-QUAUAXPMSA-N 1 3 340.471 2.847 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001136031443 1276340249 /nfs/dbraw/zinc/34/02/49/1276340249.db2.gz LIKQZDIAXWDMSI-KGLIPLIRSA-N 1 3 348.516 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001136031571 1276340644 /nfs/dbraw/zinc/34/06/44/1276340644.db2.gz MVUBTGCVRBRSLG-KGLIPLIRSA-N 1 3 346.450 2.515 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001136035201 1276349904 /nfs/dbraw/zinc/34/99/04/1276349904.db2.gz LJULRNGNMJFNID-HOTGVXAUSA-N 1 3 342.487 2.766 20 0 EFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902632 1276366878 /nfs/dbraw/zinc/36/68/78/1276366878.db2.gz VTOWXOLCLNOHOI-VAMGGRTRSA-N 1 3 326.440 2.768 20 0 EFADHO N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902630 1276367585 /nfs/dbraw/zinc/36/75/85/1276367585.db2.gz VTOWXOLCLNOHOI-AQNXPRMDSA-N 1 3 326.440 2.768 20 0 EFADHO CCOc1cccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972946 1276414602 /nfs/dbraw/zinc/41/46/02/1276414602.db2.gz QIDXBGDVSAXCRS-CJNGLKHVSA-N 1 3 345.409 2.572 20 0 EFADHO C[C@@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(Br)ncc1F ZINC000817976985 1276416930 /nfs/dbraw/zinc/41/69/30/1276416930.db2.gz YKZVVLMCECLWOO-SKDRFNHKSA-N 1 3 328.229 2.776 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001170097867 1276508975 /nfs/dbraw/zinc/50/89/75/1276508975.db2.gz GAUPTAJDQREBNI-QRQLOZEOSA-N 1 3 343.515 2.580 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000818965493 1276552246 /nfs/dbraw/zinc/55/22/46/1276552246.db2.gz AWZYSBQDBYYAKN-UHFFFAOYSA-N 1 3 344.503 2.545 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000818965493 1276552254 /nfs/dbraw/zinc/55/22/54/1276552254.db2.gz AWZYSBQDBYYAKN-UHFFFAOYSA-N 1 3 344.503 2.545 20 0 EFADHO COCC[N@H+](C)CCCNC[C@H](O)c1ccc(Cl)cc1Cl ZINC000818953494 1276557307 /nfs/dbraw/zinc/55/73/07/1276557307.db2.gz IMJPOEDUAAMKFD-HNNXBMFYSA-N 1 3 335.275 2.585 20 0 EFADHO COCC[N@@H+](C)CCCNC[C@H](O)c1ccc(Cl)cc1Cl ZINC000818953494 1276557314 /nfs/dbraw/zinc/55/73/14/1276557314.db2.gz IMJPOEDUAAMKFD-HNNXBMFYSA-N 1 3 335.275 2.585 20 0 EFADHO CCCCN1CCC([NH2+]C[C@@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819042815 1276578234 /nfs/dbraw/zinc/57/82/34/1276578234.db2.gz MIHUADWQTWGUKF-GOSISDBHSA-N 1 3 336.476 2.591 20 0 EFADHO O[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000819061310 1276581000 /nfs/dbraw/zinc/58/10/00/1276581000.db2.gz KQEKRTAJFKOLMX-ROUUACIJSA-N 1 3 338.879 2.606 20 0 EFADHO CN(C)c1ccc(NC(=O)CCN[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000819135287 1276624486 /nfs/dbraw/zinc/62/44/86/1276624486.db2.gz VTQJNNWXECAIFU-WMZOPIPTSA-N 1 3 332.492 2.544 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000819135287 1276624491 /nfs/dbraw/zinc/62/44/91/1276624491.db2.gz VTQJNNWXECAIFU-WMZOPIPTSA-N 1 3 332.492 2.544 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113050682 1276672077 /nfs/dbraw/zinc/67/20/77/1276672077.db2.gz TVSJOTRZQYCGJL-GOSISDBHSA-N 1 3 346.519 2.734 20 0 EFADHO CC(C)(C)CCC[NH+]1CCN(C(=O)c2ccn3cncc3c2)CC1 ZINC001113071010 1276770860 /nfs/dbraw/zinc/77/08/60/1276770860.db2.gz AINFBQOXNFUPQJ-UHFFFAOYSA-N 1 3 328.460 2.918 20 0 EFADHO CC(C)(C)CCCN1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071010 1276770870 /nfs/dbraw/zinc/77/08/70/1276770870.db2.gz AINFBQOXNFUPQJ-UHFFFAOYSA-N 1 3 328.460 2.918 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCN(CC3CCCC3)CC2)CCCCC1 ZINC001113155633 1277107636 /nfs/dbraw/zinc/10/76/36/1277107636.db2.gz WYNDSSKGDQZISM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CCN(CC3CCCCC3)CC2)CCCC1 ZINC001113160397 1277134029 /nfs/dbraw/zinc/13/40/29/1277134029.db2.gz AUAIRQZZBFUKCD-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[NH+]1CCC(NCCC(=O)Nc2ccc(N(C)C)cc2)CC1 ZINC000790120024 1277289460 /nfs/dbraw/zinc/28/94/60/1277289460.db2.gz ADVVOIGKLODSBE-UHFFFAOYSA-N 1 3 332.492 2.545 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000790126029 1277293872 /nfs/dbraw/zinc/29/38/72/1277293872.db2.gz BXNXIXYUXCNCSM-LPHOPBHVSA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000790126029 1277293876 /nfs/dbraw/zinc/29/38/76/1277293876.db2.gz BXNXIXYUXCNCSM-LPHOPBHVSA-N 1 3 346.519 2.886 20 0 EFADHO OC[C@@H](Cc1c[nH]c2ccccc12)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820811272 1277318773 /nfs/dbraw/zinc/31/87/73/1277318773.db2.gz OBAJUZSDDWBSAR-MHGPCZNRSA-N 1 3 339.483 2.819 20 0 EFADHO OC[C@@H](Cc1c[nH]c2ccccc12)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000820811272 1277318778 /nfs/dbraw/zinc/31/87/78/1277318778.db2.gz OBAJUZSDDWBSAR-MHGPCZNRSA-N 1 3 339.483 2.819 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001005992698 1277329763 /nfs/dbraw/zinc/32/97/63/1277329763.db2.gz VDXUSRYJQVGGLF-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(=O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000820841484 1277345178 /nfs/dbraw/zinc/34/51/78/1277345178.db2.gz MFPMVKPBEUZLTQ-YQQQUEKLSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001005998081 1277358255 /nfs/dbraw/zinc/35/82/55/1277358255.db2.gz SOFSCSAPYAMGNR-OAHLLOKOSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001005998081 1277358264 /nfs/dbraw/zinc/35/82/64/1277358264.db2.gz SOFSCSAPYAMGNR-OAHLLOKOSA-N 1 3 335.517 2.655 20 0 EFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCC1CCCC1)CC2 ZINC001273168279 1277359308 /nfs/dbraw/zinc/35/93/08/1277359308.db2.gz VVSRHAMCOFWBHL-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C[C@H](C)CC(C)C)CC2)C1 ZINC001113248356 1277374481 /nfs/dbraw/zinc/37/44/81/1277374481.db2.gz XHBOTVWWXYBMLX-MOPGFXCFSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C[C@H](C)CC(C)C)CC2)C1 ZINC001113248356 1277374494 /nfs/dbraw/zinc/37/44/94/1277374494.db2.gz XHBOTVWWXYBMLX-MOPGFXCFSA-N 1 3 337.552 2.935 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000923269773 1277432803 /nfs/dbraw/zinc/43/28/03/1277432803.db2.gz SSOOXTSJKLZDTH-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923286841 1277497800 /nfs/dbraw/zinc/49/78/00/1277497800.db2.gz ARAHBQCBXHFKST-QEJZJMRPSA-N 1 3 330.394 2.668 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@](C)(C[NH3+])C(C)C ZINC000923296227 1277524610 /nfs/dbraw/zinc/52/46/10/1277524610.db2.gz PRCFKSAZLIJQST-YLJYHZDGSA-N 1 3 336.520 2.995 20 0 EFADHO C[C@H](CCCCNCc1nc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001175057179 1287290468 /nfs/dbraw/zinc/29/04/68/1287290468.db2.gz VNFWRTLVGRKKPY-OAHLLOKOSA-N 1 3 346.475 2.544 20 0 EFADHO CCCCCCN(C)CC(=O)NC[C@H]1C[N@H+](CCCC)CCCO1 ZINC001150452910 1287295426 /nfs/dbraw/zinc/29/54/26/1287295426.db2.gz JMYQSJVVMCGUPT-SFHVURJKSA-N 1 3 341.540 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)NC[C@H]1C[N@@H+](CCCC)CCCO1 ZINC001150452910 1287295431 /nfs/dbraw/zinc/29/54/31/1287295431.db2.gz JMYQSJVVMCGUPT-SFHVURJKSA-N 1 3 341.540 2.506 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086592165 1277873498 /nfs/dbraw/zinc/87/34/98/1277873498.db2.gz YPXNNTALFBFUDX-SLFFLAALSA-N 1 3 343.515 2.568 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086592165 1277873503 /nfs/dbraw/zinc/87/35/03/1277873503.db2.gz YPXNNTALFBFUDX-SLFFLAALSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295359 1287376885 /nfs/dbraw/zinc/37/68/85/1287376885.db2.gz FRQPZDZZQLMYLC-KRWDZBQOSA-N 1 3 343.556 2.654 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CCC[C@@H]1C ZINC001175255855 1287380309 /nfs/dbraw/zinc/38/03/09/1287380309.db2.gz HYDCRAMJMBTDAK-MSOLQXFVSA-N 1 3 331.504 2.936 20 0 EFADHO COCCCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256209 1287380390 /nfs/dbraw/zinc/38/03/90/1287380390.db2.gz IWAIFFKZKQZEKR-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175262254 1287383750 /nfs/dbraw/zinc/38/37/50/1287383750.db2.gz FCDJKCYPWSEXPN-BEFAXECRSA-N 1 3 341.515 2.874 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CCC[C@H]1C ZINC001175255159 1287380757 /nfs/dbraw/zinc/38/07/57/1287380757.db2.gz DDBQTSNXPPNIGJ-DLBZAZTESA-N 1 3 329.504 2.875 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CCC[C@@H]1C ZINC001175256882 1287381152 /nfs/dbraw/zinc/38/11/52/1287381152.db2.gz PULXJOMHSREPMZ-KGLIPLIRSA-N 1 3 337.430 2.688 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC[C@@H]1C ZINC001175256619 1287381232 /nfs/dbraw/zinc/38/12/32/1287381232.db2.gz NBQVDOWQUYOBMZ-CABCVRRESA-N 1 3 345.478 2.781 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175257063 1287381475 /nfs/dbraw/zinc/38/14/75/1287381475.db2.gz TVAZVFIXHSEIIL-ROUUACIJSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)CN2CCC[C@@H]2C)c1 ZINC001175256899 1287381586 /nfs/dbraw/zinc/38/15/86/1287381586.db2.gz QFPKBVFIINIIHW-MSOLQXFVSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263028 1287383818 /nfs/dbraw/zinc/38/38/18/1287383818.db2.gz NHCYGPUMAMDCNS-MAUKXSAKSA-N 1 3 329.504 2.872 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262258 1287384329 /nfs/dbraw/zinc/38/43/29/1287384329.db2.gz FCDJKCYPWSEXPN-HNAYVOBHSA-N 1 3 341.515 2.874 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263734 1287384981 /nfs/dbraw/zinc/38/49/81/1287384981.db2.gz QVLXURNFWQAZNJ-GJZGRUSLSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175265144 1287385239 /nfs/dbraw/zinc/38/52/39/1287385239.db2.gz XNQUQPCOCVOAJC-QAPCUYQASA-N 1 3 347.494 2.823 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175265146 1287385611 /nfs/dbraw/zinc/38/56/11/1287385611.db2.gz XNQUQPCOCVOAJC-YJBOKZPZSA-N 1 3 347.494 2.823 20 0 EFADHO C[C@H](CCCC[NH2+]CC[C@H](C)F)NC(=O)CN1CCC(C)(C)C1 ZINC001175271799 1287387256 /nfs/dbraw/zinc/38/72/56/1287387256.db2.gz DMUYCPYHFSWYAX-JKSUJKDBSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccn1)NC(=O)CN(C)CC(C)(C)C ZINC001175273048 1287388293 /nfs/dbraw/zinc/38/82/93/1287388293.db2.gz OBGPVDDHERUAQJ-QGZVFWFLSA-N 1 3 348.535 2.824 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccnc1)NC(=O)CN(C)CC(C)(C)C ZINC001175273032 1287388562 /nfs/dbraw/zinc/38/85/62/1287388562.db2.gz NXQJCJQLOCLUHB-QGZVFWFLSA-N 1 3 348.535 2.824 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262423 1287383920 /nfs/dbraw/zinc/38/39/20/1287383920.db2.gz GUULAHOWOMVQQV-HZPDHXFCSA-N 1 3 337.533 2.855 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001175306692 1287395057 /nfs/dbraw/zinc/39/50/57/1287395057.db2.gz UXCPLHPNVODBGY-MJGOQNOKSA-N 1 3 349.519 2.670 20 0 EFADHO Cc1ccc(N2CCC[C@@H](N3C[C@@H]4CCC[C@]4(C[NH3+])C3)C2=O)cc1 ZINC000846224681 1280076173 /nfs/dbraw/zinc/07/61/73/1280076173.db2.gz YHNKBMDFMQYNPX-HQRMLTQVSA-N 1 3 327.472 2.551 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001175315355 1287398360 /nfs/dbraw/zinc/39/83/60/1287398360.db2.gz FALKJKOPTFGYTG-YJBOKZPZSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001175314927 1287398767 /nfs/dbraw/zinc/39/87/67/1287398767.db2.gz CPGZNIDEMFCARR-STQMWFEESA-N 1 3 325.419 2.544 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(Cl)s1 ZINC001129418953 1280182907 /nfs/dbraw/zinc/18/29/07/1280182907.db2.gz YVYQNPLHASPOCD-ZDUSSCGKSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCc1ccc(Cl)s1 ZINC001129418953 1280182909 /nfs/dbraw/zinc/18/29/09/1280182909.db2.gz YVYQNPLHASPOCD-ZDUSSCGKSA-N 1 3 343.924 2.870 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC001129444346 1280189194 /nfs/dbraw/zinc/18/91/94/1280189194.db2.gz RSXPUJLZYROPPU-OAHLLOKOSA-N 1 3 344.286 2.539 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC001129444595 1280190926 /nfs/dbraw/zinc/19/09/26/1280190926.db2.gz WBXMFEXMTHFVKT-VJFUWPCTSA-N 1 3 337.552 2.885 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1cccc2ccccc21 ZINC001129454272 1280195825 /nfs/dbraw/zinc/19/58/25/1280195825.db2.gz IYHYFEZQBSKCMF-QRWLVFNGSA-N 1 3 339.483 2.947 20 0 EFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)CCCC2 ZINC000872028428 1287404978 /nfs/dbraw/zinc/40/49/78/1287404978.db2.gz RGZWOSWDKFQXJK-AEFFLSMTSA-N 1 3 348.487 2.518 20 0 EFADHO CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001129436332 1280199855 /nfs/dbraw/zinc/19/98/55/1280199855.db2.gz OTMDOIWBVZNCDU-DNVCBOLYSA-N 1 3 331.504 2.917 20 0 EFADHO CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001129436336 1280200030 /nfs/dbraw/zinc/20/00/30/1280200030.db2.gz OTMDOIWBVZNCDU-KXBFYZLASA-N 1 3 331.504 2.917 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129443099 1280200866 /nfs/dbraw/zinc/20/08/66/1280200866.db2.gz ICERHUNKJYCYFD-IRXDYDNUSA-N 1 3 337.895 2.837 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001129443410 1280201468 /nfs/dbraw/zinc/20/14/68/1280201468.db2.gz JTDVQBDJZRVHBI-OAHLLOKOSA-N 1 3 344.286 2.539 20 0 EFADHO CN(CC(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21)C1CCC1 ZINC001129532389 1280234147 /nfs/dbraw/zinc/23/41/47/1280234147.db2.gz ZMMCXUIHTUMMAZ-UHFFFAOYSA-N 1 3 349.478 2.947 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001129535706 1280252334 /nfs/dbraw/zinc/25/23/34/1280252334.db2.gz YZWIJEFRUIJPAQ-KRWDZBQOSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(F)c(Cl)c1 ZINC001129535719 1280252878 /nfs/dbraw/zinc/25/28/78/1280252878.db2.gz ZVIMQLOCAAAVCF-GFCCVEGCSA-N 1 3 341.858 2.730 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000804534410 1280269727 /nfs/dbraw/zinc/26/97/27/1280269727.db2.gz QEZWWCDCYRNETI-HXUWFJFHSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000804534410 1280269734 /nfs/dbraw/zinc/26/97/34/1280269734.db2.gz QEZWWCDCYRNETI-HXUWFJFHSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001171235665 1280287346 /nfs/dbraw/zinc/28/73/46/1280287346.db2.gz IITWVICDDMCFIY-SFHVURJKSA-N 1 3 345.531 2.978 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)C1(N(C)C)CCC1 ZINC001171238622 1280334141 /nfs/dbraw/zinc/33/41/41/1280334141.db2.gz WVXWEMIXKUBLDQ-ZDUSSCGKSA-N 1 3 337.430 2.688 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171238653 1280336367 /nfs/dbraw/zinc/33/63/67/1280336367.db2.gz XJUBVWYXRWFJCQ-QGZVFWFLSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001129841592 1280352446 /nfs/dbraw/zinc/35/24/46/1280352446.db2.gz PBBYGXIBLXXZNV-DZGCQCFKSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC001129841592 1280352454 /nfs/dbraw/zinc/35/24/54/1280352454.db2.gz PBBYGXIBLXXZNV-DZGCQCFKSA-N 1 3 339.430 2.606 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001129855055 1280355304 /nfs/dbraw/zinc/35/53/04/1280355304.db2.gz BZGUYMXULDFKOZ-AWEZNQCLSA-N 1 3 341.858 2.559 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001129855055 1280355312 /nfs/dbraw/zinc/35/53/12/1280355312.db2.gz BZGUYMXULDFKOZ-AWEZNQCLSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCc1ccc(Cl)cc1)N(C)C ZINC001129950759 1280378164 /nfs/dbraw/zinc/37/81/64/1280378164.db2.gz ZPAHUYRTHXHKPX-KRWDZBQOSA-N 1 3 339.911 2.565 20 0 EFADHO CC[C@@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(F)cc1F ZINC001129949697 1280378574 /nfs/dbraw/zinc/37/85/74/1280378574.db2.gz HQXJTUPUROWZIF-SJORKVTESA-N 1 3 341.446 2.708 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246929 1280432470 /nfs/dbraw/zinc/43/24/70/1280432470.db2.gz IMSHSJFJJFLSDX-DOTOQJQBSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246994 1280432504 /nfs/dbraw/zinc/43/25/04/1280432504.db2.gz JHSHBZSJDWEIJF-JSGCOSHPSA-N 1 3 337.430 2.544 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248049 1280439252 /nfs/dbraw/zinc/43/92/52/1280439252.db2.gz QHYXQDKWPILGNW-BBRMVZONSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248346 1280439987 /nfs/dbraw/zinc/43/99/87/1280439987.db2.gz SWHGCWYOZRAQED-YOEHRIQHSA-N 1 3 337.533 2.853 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CC3CCC3)C2)c1 ZINC001091376113 1280450352 /nfs/dbraw/zinc/45/03/52/1280450352.db2.gz LZGFBRISVOTLLX-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091378873 1280458169 /nfs/dbraw/zinc/45/81/69/1280458169.db2.gz YFCWQKQNHIPIOL-JCYILVPMSA-N 1 3 335.517 2.607 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21)N(C)C ZINC001130203342 1280572329 /nfs/dbraw/zinc/57/23/29/1280572329.db2.gz JIRAACDBIDYBNU-LJQANCHMSA-N 1 3 337.467 2.802 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)N(C)C ZINC001130205115 1280574213 /nfs/dbraw/zinc/57/42/13/1280574213.db2.gz HCNTTXJCKRCIBU-OFLPRAFFSA-N 1 3 325.541 2.885 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001130200119 1280584079 /nfs/dbraw/zinc/58/40/79/1280584079.db2.gz DLMHQUAAXHWTJJ-XHDPSFHLSA-N 1 3 329.847 2.586 20 0 EFADHO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[C@H](C(F)(F)F)O1 ZINC000872154689 1287450511 /nfs/dbraw/zinc/45/05/11/1287450511.db2.gz WGZZJGLLWRNJGS-BLLLJJGKSA-N 1 3 328.378 2.874 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001130425300 1280856665 /nfs/dbraw/zinc/85/66/65/1280856665.db2.gz SJWUFJRSRUMRTD-INIZCTEOSA-N 1 3 337.895 2.763 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001130425305 1280857776 /nfs/dbraw/zinc/85/77/76/1280857776.db2.gz SOBJVVFVRMJRHQ-QGZVFWFLSA-N 1 3 335.467 2.639 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC/C=C\c1cccc(OC)c1 ZINC001130427922 1280862352 /nfs/dbraw/zinc/86/23/52/1280862352.db2.gz VBUKAILVSPTZIQ-YFHOEESVSA-N 1 3 347.503 2.535 20 0 EFADHO CCOCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583714 1280939476 /nfs/dbraw/zinc/93/94/76/1280939476.db2.gz OGPMVJYKRDCVJA-IRXDYDNUSA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001146590875 1280946206 /nfs/dbraw/zinc/94/62/06/1280946206.db2.gz CQKSZAMGNGFDTM-CVEARBPZSA-N 1 3 339.549 2.894 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001146600052 1280947080 /nfs/dbraw/zinc/94/70/80/1280947080.db2.gz FBUAUZIEPSLPTN-QZTJIDSGSA-N 1 3 333.520 2.832 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001146595423 1280947798 /nfs/dbraw/zinc/94/77/98/1280947798.db2.gz ZBUXEIKGWWADGA-ZIAGYGMSSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001146599624 1280948030 /nfs/dbraw/zinc/94/80/30/1280948030.db2.gz CMPXKWUOBPDKMT-GJZGRUSLSA-N 1 3 325.522 2.504 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001146600903 1280949831 /nfs/dbraw/zinc/94/98/31/1280949831.db2.gz JGIKMCPBKABGNO-HZPDHXFCSA-N 1 3 337.483 2.847 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130709223 1281123102 /nfs/dbraw/zinc/12/31/02/1281123102.db2.gz XMYPDPGZSHFHMU-QAPCUYQASA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001130709223 1281123106 /nfs/dbraw/zinc/12/31/06/1281123106.db2.gz XMYPDPGZSHFHMU-QAPCUYQASA-N 1 3 335.467 2.713 20 0 EFADHO COCCN(C)Cc1ccnc(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171301946 1281132381 /nfs/dbraw/zinc/13/23/81/1281132381.db2.gz GBSIXWYPPIMBBI-UHFFFAOYSA-N 1 3 338.455 2.605 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147724899 1281248835 /nfs/dbraw/zinc/24/88/35/1281248835.db2.gz MVHRKWIIUGJCRE-WAYWQWQTSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001147724899 1281248842 /nfs/dbraw/zinc/24/88/42/1281248842.db2.gz MVHRKWIIUGJCRE-WAYWQWQTSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749223 1281264142 /nfs/dbraw/zinc/26/41/42/1281264142.db2.gz VLESNBUOZCBSGT-BLGFXRMMSA-N 1 3 335.536 2.853 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749223 1281264150 /nfs/dbraw/zinc/26/41/50/1281264150.db2.gz VLESNBUOZCBSGT-BLGFXRMMSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001147809413 1281273355 /nfs/dbraw/zinc/27/33/55/1281273355.db2.gz FZAABRPVOCYJFM-FGTMMUONSA-N 1 3 347.547 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001147809413 1281273368 /nfs/dbraw/zinc/27/33/68/1281273368.db2.gz FZAABRPVOCYJFM-FGTMMUONSA-N 1 3 347.547 2.687 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001147811793 1281275215 /nfs/dbraw/zinc/27/52/15/1281275215.db2.gz RVFDPQBWCNWPNA-UHFFFAOYSA-N 1 3 349.544 2.821 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001147811793 1281275224 /nfs/dbraw/zinc/27/52/24/1281275224.db2.gz RVFDPQBWCNWPNA-UHFFFAOYSA-N 1 3 349.544 2.821 20 0 EFADHO CCc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170524182 1281314230 /nfs/dbraw/zinc/31/42/30/1281314230.db2.gz HHHUJDMYRCWJDY-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO CCc1ncncc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528740 1281367114 /nfs/dbraw/zinc/36/71/14/1281367114.db2.gz QRWRLYDAMVETDR-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672219 1281380432 /nfs/dbraw/zinc/38/04/32/1281380432.db2.gz KGZKCKNDZXRHFT-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672219 1281380446 /nfs/dbraw/zinc/38/04/46/1281380446.db2.gz KGZKCKNDZXRHFT-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210907 1281453369 /nfs/dbraw/zinc/45/33/69/1281453369.db2.gz XCZNAASJMLBGAM-OAHLLOKOSA-N 1 3 349.906 2.887 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C)C2 ZINC001148463079 1281562966 /nfs/dbraw/zinc/56/29/66/1281562966.db2.gz VUIWCUZVFIFYAC-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C)C2 ZINC001148463079 1281562975 /nfs/dbraw/zinc/56/29/75/1281562975.db2.gz VUIWCUZVFIFYAC-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)c(C)c1)C2 ZINC001148469862 1281563842 /nfs/dbraw/zinc/56/38/42/1281563842.db2.gz YBSZZKVOOBMOKA-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)c(C)c1)C2 ZINC001148469862 1281563851 /nfs/dbraw/zinc/56/38/51/1281563851.db2.gz YBSZZKVOOBMOKA-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1C)C2 ZINC001148543299 1281616567 /nfs/dbraw/zinc/61/65/67/1281616567.db2.gz ZBROKPJDXWIJQS-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1C)C2 ZINC001148543299 1281616576 /nfs/dbraw/zinc/61/65/76/1281616576.db2.gz ZBROKPJDXWIJQS-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001148542786 1281616807 /nfs/dbraw/zinc/61/68/07/1281616807.db2.gz NISWYUQQFOHMLB-JXMROGBWSA-N 1 3 341.499 2.576 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001148542786 1281616820 /nfs/dbraw/zinc/61/68/20/1281616820.db2.gz NISWYUQQFOHMLB-JXMROGBWSA-N 1 3 341.499 2.576 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001170549919 1281660472 /nfs/dbraw/zinc/66/04/72/1281660472.db2.gz LEAWUJNUXUPNHU-QZTJIDSGSA-N 1 3 346.471 2.909 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001148642875 1281670344 /nfs/dbraw/zinc/67/03/44/1281670344.db2.gz OXFVWLIHLJVDQT-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001148656229 1281676709 /nfs/dbraw/zinc/67/67/09/1281676709.db2.gz XSMGUOQIKKBHRI-INIZCTEOSA-N 1 3 327.472 2.948 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001148655834 1281677803 /nfs/dbraw/zinc/67/78/03/1281677803.db2.gz SOLINDNUMHUNHE-INIZCTEOSA-N 1 3 327.472 2.948 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CC1 ZINC001091738044 1281687379 /nfs/dbraw/zinc/68/73/79/1281687379.db2.gz NXXWETDUVGMPKD-UWVAXJGDSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CC1 ZINC001091738044 1281687386 /nfs/dbraw/zinc/68/73/86/1281687386.db2.gz NXXWETDUVGMPKD-UWVAXJGDSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279912 1287518857 /nfs/dbraw/zinc/51/88/57/1287518857.db2.gz MOUNPEMKJYJMCH-AITUJVMLSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148843923 1281782112 /nfs/dbraw/zinc/78/21/12/1281782112.db2.gz KFYVACVCYVIRQF-LJQANCHMSA-N 1 3 341.499 2.548 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148843923 1281782121 /nfs/dbraw/zinc/78/21/21/1281782121.db2.gz KFYVACVCYVIRQF-LJQANCHMSA-N 1 3 341.499 2.548 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091759045 1281795536 /nfs/dbraw/zinc/79/55/36/1281795536.db2.gz XZHXFDMQVGBILW-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091759045 1281795540 /nfs/dbraw/zinc/79/55/40/1281795540.db2.gz XZHXFDMQVGBILW-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)N(C)C ZINC001091758963 1281795617 /nfs/dbraw/zinc/79/56/17/1281795617.db2.gz SWWMFQWZHJTIJU-UWVAXJGDSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)N(C)C ZINC001091758963 1281795620 /nfs/dbraw/zinc/79/56/20/1281795620.db2.gz SWWMFQWZHJTIJU-UWVAXJGDSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086908309 1281909201 /nfs/dbraw/zinc/90/92/01/1281909201.db2.gz WNXDUVVISHAJEQ-ROUUACIJSA-N 1 3 333.520 2.750 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001170562512 1281928011 /nfs/dbraw/zinc/92/80/11/1281928011.db2.gz XZUMESVMBJZSEU-MOPGFXCFSA-N 1 3 342.483 2.926 20 0 EFADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942135 1281971717 /nfs/dbraw/zinc/97/17/17/1281971717.db2.gz JWHIADKXFQRFBL-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942137 1281972404 /nfs/dbraw/zinc/97/24/04/1281972404.db2.gz JWHIADKXFQRFBL-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001086942998 1281973338 /nfs/dbraw/zinc/97/33/38/1281973338.db2.gz HMFQMZKQYQMPFC-ROUUACIJSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945933 1281980893 /nfs/dbraw/zinc/98/08/93/1281980893.db2.gz LYJCVFGRZKZQKE-INIZCTEOSA-N 1 3 330.476 2.621 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001086928559 1281991476 /nfs/dbraw/zinc/99/14/76/1281991476.db2.gz HGZXZHWXYXLPBD-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1scnc1C ZINC001175767378 1287546702 /nfs/dbraw/zinc/54/67/02/1287546702.db2.gz FRPANABLCZPHER-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001175768114 1287547183 /nfs/dbraw/zinc/54/71/83/1287547183.db2.gz KJBRJFJTRYZQRQ-GOSISDBHSA-N 1 3 333.520 2.836 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001171366851 1282106523 /nfs/dbraw/zinc/10/65/23/1282106523.db2.gz FKURHILGZIKUPU-HKUYNNGSSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001175785804 1287552017 /nfs/dbraw/zinc/55/20/17/1287552017.db2.gz DMFWTRHCDKAMKR-HNNXBMFYSA-N 1 3 325.522 2.855 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3csc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091783001 1282149358 /nfs/dbraw/zinc/14/93/58/1282149358.db2.gz PRITZVUXBGCVRT-LMMKCTJWSA-N 1 3 349.544 2.677 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3csc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091783001 1282149362 /nfs/dbraw/zinc/14/93/62/1282149362.db2.gz PRITZVUXBGCVRT-LMMKCTJWSA-N 1 3 349.544 2.677 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091782982 1282149430 /nfs/dbraw/zinc/14/94/30/1282149430.db2.gz OXPHUUPVJDJFLH-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091782982 1282149437 /nfs/dbraw/zinc/14/94/37/1282149437.db2.gz OXPHUUPVJDJFLH-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1 ZINC001092010793 1282336252 /nfs/dbraw/zinc/33/62/52/1282336252.db2.gz LJYFTHMPXAHXLC-CDXJDZJCSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1 ZINC001092010793 1282336257 /nfs/dbraw/zinc/33/62/57/1282336257.db2.gz LJYFTHMPXAHXLC-CDXJDZJCSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092011530 1282336567 /nfs/dbraw/zinc/33/65/67/1282336567.db2.gz YLWJPHDDWNXXLY-WDYCEAGBSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092011530 1282336579 /nfs/dbraw/zinc/33/65/79/1282336579.db2.gz YLWJPHDDWNXXLY-WDYCEAGBSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)C1 ZINC001092013404 1282339022 /nfs/dbraw/zinc/33/90/22/1282339022.db2.gz PUYJVHPMKCETDD-BLIXFSHQSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)C1 ZINC001092013404 1282339030 /nfs/dbraw/zinc/33/90/30/1282339030.db2.gz PUYJVHPMKCETDD-BLIXFSHQSA-N 1 3 347.547 2.545 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071052 1282367288 /nfs/dbraw/zinc/36/72/88/1282367288.db2.gz FBIUSHNSEMHQTA-HBFSDRIKSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071052 1282367300 /nfs/dbraw/zinc/36/73/00/1282367300.db2.gz FBIUSHNSEMHQTA-HBFSDRIKSA-N 1 3 335.536 2.830 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000809735571 1282413729 /nfs/dbraw/zinc/41/37/29/1282413729.db2.gz KWDYCOMGDHOZLL-RBSFLKMASA-N 1 3 332.435 2.673 20 0 EFADHO CN1CC[NH+](CC2CCN(Cc3cnc4ccccc4c3)CC2)CC1 ZINC000809737518 1282438000 /nfs/dbraw/zinc/43/80/00/1282438000.db2.gz VXEDXZXIGZKNHA-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297916 1282545645 /nfs/dbraw/zinc/54/56/45/1282545645.db2.gz FTAHVGUSXRZING-QUCCMNQESA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092297916 1282545653 /nfs/dbraw/zinc/54/56/53/1282545653.db2.gz FTAHVGUSXRZING-QUCCMNQESA-N 1 3 329.488 2.551 20 0 EFADHO C[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)Cc1ccccc1 ZINC000809970566 1282660834 /nfs/dbraw/zinc/66/08/34/1282660834.db2.gz DDXDTNXZVWCJIJ-FQEVSTJZSA-N 1 3 349.494 2.837 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)Cc1ccccc1 ZINC000809970566 1282660843 /nfs/dbraw/zinc/66/08/43/1282660843.db2.gz DDXDTNXZVWCJIJ-FQEVSTJZSA-N 1 3 349.494 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCOC)C1 ZINC001132152960 1283048944 /nfs/dbraw/zinc/04/89/44/1283048944.db2.gz LNSKKTSWGKVTSJ-DLBZAZTESA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCCOC)C1 ZINC001132152960 1283048958 /nfs/dbraw/zinc/04/89/58/1283048958.db2.gz LNSKKTSWGKVTSJ-DLBZAZTESA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCc2ccccc2)C1 ZINC001132152938 1283051818 /nfs/dbraw/zinc/05/18/18/1283051818.db2.gz LFAGKYFDGFUEQH-MJGOQNOKSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCc2ccccc2)C1 ZINC001132152938 1283051821 /nfs/dbraw/zinc/05/18/21/1283051821.db2.gz LFAGKYFDGFUEQH-MJGOQNOKSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC001132153330 1283053367 /nfs/dbraw/zinc/05/33/67/1283053367.db2.gz QECNLYPKWZMNNH-HIFRSBDPSA-N 1 3 345.478 2.731 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC2CC(F)(F)C2)C1 ZINC001132153330 1283053377 /nfs/dbraw/zinc/05/33/77/1283053377.db2.gz QECNLYPKWZMNNH-HIFRSBDPSA-N 1 3 345.478 2.731 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132153871 1283055202 /nfs/dbraw/zinc/05/52/02/1283055202.db2.gz UPMGFUHULIAFQX-JKSUJKDBSA-N 1 3 329.504 2.826 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCCF)C1 ZINC001132153871 1283055212 /nfs/dbraw/zinc/05/52/12/1283055212.db2.gz UPMGFUHULIAFQX-JKSUJKDBSA-N 1 3 329.504 2.826 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025144 1283166041 /nfs/dbraw/zinc/16/60/41/1283166041.db2.gz SIPRSOHSAFMUDN-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025144 1283166042 /nfs/dbraw/zinc/16/60/42/1283166042.db2.gz SIPRSOHSAFMUDN-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024858 1283166449 /nfs/dbraw/zinc/16/64/49/1283166449.db2.gz HEBDOOVSAQHPTF-GUDVDZBRSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024858 1283166452 /nfs/dbraw/zinc/16/64/52/1283166452.db2.gz HEBDOOVSAQHPTF-GUDVDZBRSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1CCc1ccccc1F ZINC001132270482 1283226950 /nfs/dbraw/zinc/22/69/50/1283226950.db2.gz SWPGFBNMIRVJNT-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(C2CC2)cc1 ZINC001132277291 1283247783 /nfs/dbraw/zinc/24/77/83/1283247783.db2.gz FEFMURYUGIAAII-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132277841 1283250184 /nfs/dbraw/zinc/25/01/84/1283250184.db2.gz JTWGIWWQORJWPW-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001093121198 1283263202 /nfs/dbraw/zinc/26/32/02/1283263202.db2.gz ZEUBFPNZAVSDDG-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001093121198 1283263208 /nfs/dbraw/zinc/26/32/08/1283263208.db2.gz ZEUBFPNZAVSDDG-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735427 1283309790 /nfs/dbraw/zinc/30/97/90/1283309790.db2.gz JNQIHJPOPHDZBL-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735427 1283309798 /nfs/dbraw/zinc/30/97/98/1283309798.db2.gz JNQIHJPOPHDZBL-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735514 1283312432 /nfs/dbraw/zinc/31/24/32/1283312432.db2.gz LFXWQTOHQJLOJJ-SJORKVTESA-N 1 3 347.528 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735514 1283312442 /nfs/dbraw/zinc/31/24/42/1283312442.db2.gz LFXWQTOHQJLOJJ-SJORKVTESA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736774 1283319107 /nfs/dbraw/zinc/31/91/07/1283319107.db2.gz GQCQTLRPXVDRML-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1)C1CCC1 ZINC001036736774 1283319111 /nfs/dbraw/zinc/31/91/11/1283319111.db2.gz GQCQTLRPXVDRML-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](F)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224945 1283512839 /nfs/dbraw/zinc/51/28/39/1283512839.db2.gz HFTGMACWSOBLAT-KBAYOESNSA-N 1 3 349.494 2.794 20 0 EFADHO CC[C@@H](F)C[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224945 1283512844 /nfs/dbraw/zinc/51/28/44/1283512844.db2.gz HFTGMACWSOBLAT-KBAYOESNSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132437948 1283579012 /nfs/dbraw/zinc/57/90/12/1283579012.db2.gz ZIFSWWLTLPEMLR-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093363365 1283786582 /nfs/dbraw/zinc/78/65/82/1283786582.db2.gz ZLLDTOFUNMKOJC-MSOLQXFVSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093363365 1283786594 /nfs/dbraw/zinc/78/65/94/1283786594.db2.gz ZLLDTOFUNMKOJC-MSOLQXFVSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093363372 1283786640 /nfs/dbraw/zinc/78/66/40/1283786640.db2.gz ZLLDTOFUNMKOJC-ZWKOTPCHSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093363372 1283786650 /nfs/dbraw/zinc/78/66/50/1283786650.db2.gz ZLLDTOFUNMKOJC-ZWKOTPCHSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372180 1283812030 /nfs/dbraw/zinc/81/20/30/1283812030.db2.gz YSQUYCMMOWNTGZ-FQEVSTJZSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372180 1283812037 /nfs/dbraw/zinc/81/20/37/1283812037.db2.gz YSQUYCMMOWNTGZ-FQEVSTJZSA-N 1 3 347.547 2.972 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372649 1283813912 /nfs/dbraw/zinc/81/39/12/1283813912.db2.gz GZMSYSKVGPKCJI-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001093372649 1283813918 /nfs/dbraw/zinc/81/39/18/1283813918.db2.gz GZMSYSKVGPKCJI-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379715 1283838976 /nfs/dbraw/zinc/83/89/76/1283838976.db2.gz GZMSYSKVGPKCJI-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379715 1283838984 /nfs/dbraw/zinc/83/89/84/1283838984.db2.gz GZMSYSKVGPKCJI-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384352 1283860189 /nfs/dbraw/zinc/86/01/89/1283860189.db2.gz XEJVKVMXLOKOGY-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384352 1283860202 /nfs/dbraw/zinc/86/02/02/1283860202.db2.gz XEJVKVMXLOKOGY-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)C1 ZINC001036820660 1284057924 /nfs/dbraw/zinc/05/79/24/1284057924.db2.gz MRGWDLDUVJPECU-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)C1 ZINC001036820660 1284057930 /nfs/dbraw/zinc/05/79/30/1284057930.db2.gz MRGWDLDUVJPECU-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001132737495 1284206571 /nfs/dbraw/zinc/20/65/71/1284206571.db2.gz NNULZFHNDQYOQT-CYBMUJFWSA-N 1 3 343.924 2.729 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001132737495 1284206558 /nfs/dbraw/zinc/20/65/58/1284206558.db2.gz NNULZFHNDQYOQT-CYBMUJFWSA-N 1 3 343.924 2.729 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001132743156 1284217399 /nfs/dbraw/zinc/21/73/99/1284217399.db2.gz WXOXPHCSJIRYGG-DOTOQJQBSA-N 1 3 335.467 2.715 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001132743156 1284217414 /nfs/dbraw/zinc/21/74/14/1284217414.db2.gz WXOXPHCSJIRYGG-DOTOQJQBSA-N 1 3 335.467 2.715 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001132743159 1284217595 /nfs/dbraw/zinc/21/75/95/1284217595.db2.gz WXOXPHCSJIRYGG-WBVHZDCISA-N 1 3 335.467 2.715 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001132743159 1284217605 /nfs/dbraw/zinc/21/76/05/1284217605.db2.gz WXOXPHCSJIRYGG-WBVHZDCISA-N 1 3 335.467 2.715 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000715541037 1284232760 /nfs/dbraw/zinc/23/27/60/1284232760.db2.gz DZZXYMARIGBZST-ARFHVFGLSA-N 1 3 341.293 2.945 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086694466 1284282299 /nfs/dbraw/zinc/28/22/99/1284282299.db2.gz UAQXJOPQMVBAJS-CGTJXYLNSA-N 1 3 349.544 2.995 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCCCF ZINC001132887804 1284422408 /nfs/dbraw/zinc/42/24/08/1284422408.db2.gz IJBMWIDGJPSZGG-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889109 1284424542 /nfs/dbraw/zinc/42/45/42/1284424542.db2.gz WRJMSAVHQIPENR-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892259 1284427666 /nfs/dbraw/zinc/42/76/66/1284427666.db2.gz CWXLKCVLPKQHOZ-IKSUFZCESA-N 1 3 335.536 2.901 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132893856 1284429993 /nfs/dbraw/zinc/42/99/93/1284429993.db2.gz SUWNFFJLFNPVNE-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001132937101 1284488530 /nfs/dbraw/zinc/48/85/30/1284488530.db2.gz GKQOXUOQNLFBGE-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001093821302 1284542223 /nfs/dbraw/zinc/54/22/23/1284542223.db2.gz ZFLKZMXXMCXBDO-ZHALLVOQSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1)N(C)C ZINC001093839204 1284555534 /nfs/dbraw/zinc/55/55/34/1284555534.db2.gz CNANYOGSQLGJGR-QRQLOZEOSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1)N(C)C ZINC001094020460 1284712324 /nfs/dbraw/zinc/71/23/24/1284712324.db2.gz CETWVALARGESJX-BHIYHBOVSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C)[C@H](C)C1)N(C)C ZINC001094049481 1284732597 /nfs/dbraw/zinc/73/25/97/1284732597.db2.gz VVLLHCVCNMBVHD-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1)N(C)C ZINC001094049445 1284732792 /nfs/dbraw/zinc/73/27/92/1284732792.db2.gz SSDRVQNRRTZRHW-GGPKGHCWSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122439 1284833835 /nfs/dbraw/zinc/83/38/35/1284833835.db2.gz QRWATOHUJMVUOJ-ZWKOTPCHSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001133134809 1284847772 /nfs/dbraw/zinc/84/77/72/1284847772.db2.gz HWZGNELIOHMAFG-FUHWJXTLSA-N 1 3 344.503 2.917 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001133135333 1284849473 /nfs/dbraw/zinc/84/94/73/1284849473.db2.gz POSUVQIZKWAAAB-AEFFLSMTSA-N 1 3 346.519 2.997 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001094241717 1284870160 /nfs/dbraw/zinc/87/01/60/1284870160.db2.gz YPDYSCBWPLHOJZ-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001094242906 1284871300 /nfs/dbraw/zinc/87/13/00/1284871300.db2.gz PHCRCOCRNIENHY-NXHRZFHOSA-N 1 3 349.544 2.807 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133178035 1284934971 /nfs/dbraw/zinc/93/49/71/1284934971.db2.gz JTJASOVTGYJUMT-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001133185520 1284950367 /nfs/dbraw/zinc/95/03/67/1284950367.db2.gz FCLNIGPFOWRYIP-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133190272 1284965533 /nfs/dbraw/zinc/96/55/33/1284965533.db2.gz GARHIJBCXGAMHM-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133194208 1284970629 /nfs/dbraw/zinc/97/06/29/1284970629.db2.gz AJFWNXIRTTWIBA-PKOBYXMFSA-N 1 3 335.536 2.593 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4c(F)cccc4C3)CC2)CC1 ZINC001171441729 1284984237 /nfs/dbraw/zinc/98/42/37/1284984237.db2.gz NCAWDBHKMWIPCU-IBGZPJMESA-N 1 3 345.506 2.642 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094430229 1285071354 /nfs/dbraw/zinc/07/13/54/1285071354.db2.gz ICADBCYVNRLNRH-NLWGTHIKSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094430229 1285071363 /nfs/dbraw/zinc/07/13/63/1285071363.db2.gz ICADBCYVNRLNRH-NLWGTHIKSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133274159 1285112681 /nfs/dbraw/zinc/11/26/81/1285112681.db2.gz CCABAYXELWAEKQ-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133274351 1285113991 /nfs/dbraw/zinc/11/39/91/1285113991.db2.gz GUAMWQVANXFCAH-PKOBYXMFSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133276026 1285115027 /nfs/dbraw/zinc/11/50/27/1285115027.db2.gz YWCZRYNPYDDZEF-SJLPKXTDSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133275971 1285115956 /nfs/dbraw/zinc/11/59/56/1285115956.db2.gz YOQZCERTKPFTEW-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001133337367 1285215495 /nfs/dbraw/zinc/21/54/95/1285215495.db2.gz MTNBSLURQXRFRU-LPHOPBHVSA-N 1 3 349.494 2.796 20 0 EFADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341566 1285221995 /nfs/dbraw/zinc/22/19/95/1285221995.db2.gz IACZKFGAOFNEOH-FUHWJXTLSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133345919 1285229104 /nfs/dbraw/zinc/22/91/04/1285229104.db2.gz IFDMYAVCZUFCPW-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133345867 1285230009 /nfs/dbraw/zinc/23/00/09/1285230009.db2.gz HYZZEEJBCHNYSM-IAGOWNOFSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133347350 1285234969 /nfs/dbraw/zinc/23/49/69/1285234969.db2.gz WBWFYOFXLLAEOC-FUHWJXTLSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001133415721 1285378910 /nfs/dbraw/zinc/37/89/10/1285378910.db2.gz LLZDHFVPQWEOQT-IAGOWNOFSA-N 1 3 337.895 2.619 20 0 EFADHO CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCNC3=O)cc2)CC1 ZINC000812745291 1285395101 /nfs/dbraw/zinc/39/51/01/1285395101.db2.gz VOGDPPWXOJQPPC-OAHLLOKOSA-N 1 3 330.476 2.741 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834145 1285463466 /nfs/dbraw/zinc/46/34/66/1285463466.db2.gz LTIYRYCYANOQIN-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834145 1285463474 /nfs/dbraw/zinc/46/34/74/1285463474.db2.gz LTIYRYCYANOQIN-HZPDHXFCSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCC1 ZINC001110161732 1285505439 /nfs/dbraw/zinc/50/54/39/1285505439.db2.gz RFZDXBDQJLCMLP-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCC1 ZINC001110161732 1285505449 /nfs/dbraw/zinc/50/54/49/1285505449.db2.gz RFZDXBDQJLCMLP-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001171501325 1285610646 /nfs/dbraw/zinc/61/06/46/1285610646.db2.gz SKGBUHFQMNSIEB-HNAYVOBHSA-N 1 3 348.535 2.803 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1)N(C)C ZINC001171508824 1285615235 /nfs/dbraw/zinc/61/52/35/1285615235.db2.gz ITWGEDBALIXLKM-GDBMZVCRSA-N 1 3 325.522 2.853 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC[C@H]1CCCO1 ZINC001171586283 1285636942 /nfs/dbraw/zinc/63/69/42/1285636942.db2.gz KYJWEGGODGVRDA-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1cc(Cl)ccc1F ZINC001171576149 1285656435 /nfs/dbraw/zinc/65/64/35/1285656435.db2.gz QOUIUQKQTJATOG-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCN(Cc3ccncc3)C2)CC1(C)C ZINC001171626048 1285690339 /nfs/dbraw/zinc/69/03/39/1285690339.db2.gz ULEKXUXOVVZUDF-KRWDZBQOSA-N 1 3 330.520 2.897 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(C(=O)c3cccnc3)C2)CC1(C)C ZINC001171627622 1285691817 /nfs/dbraw/zinc/69/18/17/1285691817.db2.gz YQTWNKFOQKCNRS-MRXNPFEDSA-N 1 3 344.503 2.537 20 0 EFADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3cnccn3)CC2)CC1(C)C ZINC001171641021 1285719027 /nfs/dbraw/zinc/71/90/27/1285719027.db2.gz AJYIIIAKAKSGER-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(Oc3cnccn3)CC2)CC1(C)C ZINC001171641021 1285719032 /nfs/dbraw/zinc/71/90/32/1285719032.db2.gz AJYIIIAKAKSGER-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Oc3ncccn3)C2)CC1(C)C ZINC001171641365 1285720077 /nfs/dbraw/zinc/72/00/77/1285720077.db2.gz QJIMLHQESJUZLS-MRXNPFEDSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3ncccn3)C2)CC1(C)C ZINC001171641365 1285720082 /nfs/dbraw/zinc/72/00/82/1285720082.db2.gz QJIMLHQESJUZLS-MRXNPFEDSA-N 1 3 332.492 2.971 20 0 EFADHO COCC[N@H+]([C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755256 1285764508 /nfs/dbraw/zinc/76/45/08/1285764508.db2.gz MVELLWYLGASVQZ-GHTZIAJQSA-N 1 3 345.531 2.692 20 0 EFADHO COCC[N@@H+]([C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755256 1285764509 /nfs/dbraw/zinc/76/45/09/1285764509.db2.gz MVELLWYLGASVQZ-GHTZIAJQSA-N 1 3 345.531 2.692 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001171762965 1285770113 /nfs/dbraw/zinc/77/01/13/1285770113.db2.gz ODSHXAMGSUGATP-QGZVFWFLSA-N 1 3 337.895 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001171762437 1285770939 /nfs/dbraw/zinc/77/09/39/1285770939.db2.gz DQUDIZJSBKGUNM-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001171770542 1285776310 /nfs/dbraw/zinc/77/63/10/1285776310.db2.gz RSYSWNNNWTXNLC-AWEZNQCLSA-N 1 3 325.884 2.839 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001171770728 1285776730 /nfs/dbraw/zinc/77/67/30/1285776730.db2.gz ZRMJFMAEXRCBDR-UHFFFAOYSA-N 1 3 339.911 2.710 20 0 EFADHO CC[C@H](C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC001133689616 1285785848 /nfs/dbraw/zinc/78/58/48/1285785848.db2.gz APSWSOZFKNROPE-SUMWQHHRSA-N 1 3 341.446 2.852 20 0 EFADHO COCCC1([NH3+])CCN(C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001171919037 1285904112 /nfs/dbraw/zinc/90/41/12/1285904112.db2.gz RXEGAQRNNKZKOS-UHFFFAOYSA-N 1 3 340.508 2.717 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001171968652 1285919824 /nfs/dbraw/zinc/91/98/24/1285919824.db2.gz HRSQRWLRACANDD-HNNXBMFYSA-N 1 3 343.437 2.816 20 0 EFADHO C[N@H+](CCN1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975501 1285958784 /nfs/dbraw/zinc/95/87/84/1285958784.db2.gz DPQZSDCHTBRBND-HXUWFJFHSA-N 1 3 345.531 2.694 20 0 EFADHO C[N@@H+](CCN1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975501 1285958788 /nfs/dbraw/zinc/95/87/88/1285958788.db2.gz DPQZSDCHTBRBND-HXUWFJFHSA-N 1 3 345.531 2.694 20 0 EFADHO CN(C)C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976170 1285960110 /nfs/dbraw/zinc/96/01/10/1285960110.db2.gz IVKYCBLAAQXQEV-UXHICEINSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976170 1285960112 /nfs/dbraw/zinc/96/01/12/1285960112.db2.gz IVKYCBLAAQXQEV-UXHICEINSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986326 1285964139 /nfs/dbraw/zinc/96/41/39/1285964139.db2.gz HNEIZSXQLSDIEF-GOSISDBHSA-N 1 3 331.504 2.840 20 0 EFADHO CN(C)C(=O)CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986326 1285964149 /nfs/dbraw/zinc/96/41/49/1285964149.db2.gz HNEIZSXQLSDIEF-GOSISDBHSA-N 1 3 331.504 2.840 20 0 EFADHO C[C@@H](CN)C[N@H+](C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988358 1285967042 /nfs/dbraw/zinc/96/70/42/1285967042.db2.gz GGSUKEFYDJCHAW-ZDUSSCGKSA-N 1 3 340.309 2.945 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988358 1285967046 /nfs/dbraw/zinc/96/70/46/1285967046.db2.gz GGSUKEFYDJCHAW-ZDUSSCGKSA-N 1 3 340.309 2.945 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CN2CCC[C@@H]2C)c(C)c1C ZINC001133819884 1285975203 /nfs/dbraw/zinc/97/52/03/1285975203.db2.gz QGAOBTXLCOETOM-AWEZNQCLSA-N 1 3 345.531 2.919 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001133823400 1285981187 /nfs/dbraw/zinc/98/11/87/1285981187.db2.gz FLZJXAVCGOBLCG-GFCCVEGCSA-N 1 3 344.286 2.684 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001133823389 1285981269 /nfs/dbraw/zinc/98/12/69/1285981269.db2.gz FFUOQMQCXGPLJW-INIZCTEOSA-N 1 3 325.456 2.530 20 0 EFADHO CCN(Cc1ccccc1)C1CC[NH+]([C@H]2CCN(CC)C(=O)C2)CC1 ZINC001172044272 1285985930 /nfs/dbraw/zinc/98/59/30/1285985930.db2.gz TYHUKUFLOMGVFF-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO COCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072743 1285992419 /nfs/dbraw/zinc/99/24/19/1285992419.db2.gz MRYBZFGEUPJJKR-OWZKRDHZSA-N 1 3 332.488 2.825 20 0 EFADHO COCCOCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072743 1285992429 /nfs/dbraw/zinc/99/24/29/1285992429.db2.gz MRYBZFGEUPJJKR-OWZKRDHZSA-N 1 3 332.488 2.825 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078918 1285997266 /nfs/dbraw/zinc/99/72/66/1285997266.db2.gz KFJGOZQCPBNAPG-OKYOBFRVSA-N 1 3 341.499 2.686 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078918 1285997269 /nfs/dbraw/zinc/99/72/69/1285997269.db2.gz KFJGOZQCPBNAPG-OKYOBFRVSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087244 1286002154 /nfs/dbraw/zinc/00/21/54/1286002154.db2.gz GPBPISIJCQNJPH-WCVJEAGWSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087244 1286002157 /nfs/dbraw/zinc/00/21/57/1286002157.db2.gz GPBPISIJCQNJPH-WCVJEAGWSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC001133834162 1286002611 /nfs/dbraw/zinc/00/26/11/1286002611.db2.gz PTFNSJYAUUHMDV-OLZOCXBDSA-N 1 3 341.858 2.730 20 0 EFADHO CCOc1cccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)n1 ZINC001172127151 1286011346 /nfs/dbraw/zinc/01/13/46/1286011346.db2.gz HDEUPJJMHZRWCL-PIIMJCKOSA-N 1 3 344.503 2.618 20 0 EFADHO COc1cccnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172130444 1286013790 /nfs/dbraw/zinc/01/37/90/1286013790.db2.gz ILXUMZMTYMJSOM-LTIDMASMSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@@H]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172130444 1286013794 /nfs/dbraw/zinc/01/37/94/1286013794.db2.gz ILXUMZMTYMJSOM-LTIDMASMSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccc(OC2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172130261 1286014694 /nfs/dbraw/zinc/01/46/94/1286014694.db2.gz HVXJKFHEWKPEBO-FVQHAEBGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccc(OC2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172130261 1286014697 /nfs/dbraw/zinc/01/46/97/1286014697.db2.gz HVXJKFHEWKPEBO-FVQHAEBGSA-N 1 3 345.487 2.949 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172130076 1286014758 /nfs/dbraw/zinc/01/47/58/1286014758.db2.gz GYQHTLGZQSFMKI-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172130076 1286014763 /nfs/dbraw/zinc/01/47/63/1286014763.db2.gz GYQHTLGZQSFMKI-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001172105791 1286021530 /nfs/dbraw/zinc/02/15/30/1286021530.db2.gz KLJIIBHDDPUNNQ-BCDXTJNWSA-N 1 3 327.472 2.571 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001172105791 1286021532 /nfs/dbraw/zinc/02/15/32/1286021532.db2.gz KLJIIBHDDPUNNQ-BCDXTJNWSA-N 1 3 327.472 2.571 20 0 EFADHO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172111228 1286023660 /nfs/dbraw/zinc/02/36/60/1286023660.db2.gz QVBMSLGNYAANCY-BJWYYQGGSA-N 1 3 336.501 2.585 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001133845873 1286024181 /nfs/dbraw/zinc/02/41/81/1286024181.db2.gz PDQODDMUEQYMQE-RHSMWYFYSA-N 1 3 337.895 2.839 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)C2 ZINC001172120489 1286029842 /nfs/dbraw/zinc/02/98/42/1286029842.db2.gz KZZSDILLMQXOGC-SFFUCWETSA-N 1 3 349.519 2.943 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)C2 ZINC001172120489 1286029845 /nfs/dbraw/zinc/02/98/45/1286029845.db2.gz KZZSDILLMQXOGC-SFFUCWETSA-N 1 3 349.519 2.943 20 0 EFADHO Cc1cncnc1OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122361 1286029870 /nfs/dbraw/zinc/02/98/70/1286029870.db2.gz ANIOCUGFTSEJOZ-BJWYYQGGSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1OC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122361 1286029874 /nfs/dbraw/zinc/02/98/74/1286029874.db2.gz ANIOCUGFTSEJOZ-BJWYYQGGSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001133849766 1286030712 /nfs/dbraw/zinc/03/07/12/1286030712.db2.gz DDJKPVZVLWOQHN-CHWSQXEVSA-N 1 3 341.858 2.588 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123580 1286031566 /nfs/dbraw/zinc/03/15/66/1286031566.db2.gz FDTXENGJBHERBE-JTJHWIPRSA-N 1 3 325.500 2.917 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123580 1286031570 /nfs/dbraw/zinc/03/15/70/1286031570.db2.gz FDTXENGJBHERBE-JTJHWIPRSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123580 1286031576 /nfs/dbraw/zinc/03/15/76/1286031576.db2.gz FDTXENGJBHERBE-JTJHWIPRSA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN3CCc4ccccc4[C@@H]3C1)C2 ZINC001172123580 1286031582 /nfs/dbraw/zinc/03/15/82/1286031582.db2.gz FDTXENGJBHERBE-JTJHWIPRSA-N 1 3 325.500 2.917 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CC2CCCCCC2)C1 ZINC001133856728 1286032513 /nfs/dbraw/zinc/03/25/13/1286032513.db2.gz OPZQWTMXLBKAKH-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCCc2ccccc2)C1 ZINC001133856845 1286033172 /nfs/dbraw/zinc/03/31/72/1286033172.db2.gz SNGSCDKZRWFBLQ-HXUWFJFHSA-N 1 3 349.494 2.538 20 0 EFADHO O=C1CC[C@H]2C[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)CCN12 ZINC001172154885 1286040788 /nfs/dbraw/zinc/04/07/88/1286040788.db2.gz IXOYKEOHLGGLFH-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO NC1(c2ccccc2Cl)CC[NH+]([C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172156954 1286041828 /nfs/dbraw/zinc/04/18/28/1286041828.db2.gz GDYBXWSVBKABRQ-LSDHHAIUSA-N 1 3 347.890 2.743 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c(C)c1 ZINC001133872895 1286058053 /nfs/dbraw/zinc/05/80/53/1286058053.db2.gz GQHDQRVYCLSCIG-UHFFFAOYSA-N 1 3 331.504 2.550 20 0 EFADHO COCCC[NH+]1CCC(n2nc(-c3ccccc3)cc2CN)CC1 ZINC001172245594 1286077629 /nfs/dbraw/zinc/07/76/29/1286077629.db2.gz XDHFCWRTZZULQF-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1ccc2c(c1)CCC2 ZINC001133896940 1286077766 /nfs/dbraw/zinc/07/77/66/1286077766.db2.gz WPHCEXWGFZNGSF-INIZCTEOSA-N 1 3 343.515 2.674 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001133897087 1286077992 /nfs/dbraw/zinc/07/79/92/1286077992.db2.gz YPLLMFDATHTGOA-GOSISDBHSA-N 1 3 329.488 2.502 20 0 EFADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3C)C2)CC1 ZINC001172250621 1286081444 /nfs/dbraw/zinc/08/14/44/1286081444.db2.gz SZMPWJSAFIZAQJ-NRFANRHFSA-N 1 3 345.531 2.660 20 0 EFADHO COCCC[NH+]1CCC(NC[C@@H](CO)c2cccc(Cl)c2)CC1 ZINC001172250312 1286082144 /nfs/dbraw/zinc/08/21/44/1286082144.db2.gz WDBPVFJCRYMWLD-INIZCTEOSA-N 1 3 340.895 2.506 20 0 EFADHO COCCCN1CCC([NH2+][C@H]2CCN(Cc3cccc(C)c3)C2)CC1 ZINC001172250900 1286082382 /nfs/dbraw/zinc/08/23/82/1286082382.db2.gz YZEYFQIOAYDOCH-NRFANRHFSA-N 1 3 345.531 2.660 20 0 EFADHO COCCC[NH+]1CCC(N2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001172254160 1286083875 /nfs/dbraw/zinc/08/38/75/1286083875.db2.gz AANVAGJHYPIJSA-IBGZPJMESA-N 1 3 345.531 2.694 20 0 EFADHO CCCOc1cccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133906313 1286088289 /nfs/dbraw/zinc/08/82/89/1286088289.db2.gz SBYLPBAOPGUUFU-UHFFFAOYSA-N 1 3 349.519 2.659 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1)CC(C)(C)C ZINC001133906515 1286089823 /nfs/dbraw/zinc/08/98/23/1286089823.db2.gz ZTTRERXNHNWNSR-UHFFFAOYSA-N 1 3 341.446 2.808 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001133908434 1286092361 /nfs/dbraw/zinc/09/23/61/1286092361.db2.gz QVXGVHKTNNPPAE-IAGOWNOFSA-N 1 3 325.541 2.887 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCOC(C)C)C2 ZINC001172450851 1286155061 /nfs/dbraw/zinc/15/50/61/1286155061.db2.gz CHQVOYKCOJBQPK-DFQSSKMNSA-N 1 3 338.536 2.870 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCOC(C)C)C2 ZINC001172450851 1286155067 /nfs/dbraw/zinc/15/50/67/1286155067.db2.gz CHQVOYKCOJBQPK-DFQSSKMNSA-N 1 3 338.536 2.870 20 0 EFADHO CC(C)COCC[C@H](C)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001172462614 1286158928 /nfs/dbraw/zinc/15/89/28/1286158928.db2.gz TYGQEAPHEWOETF-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524262 1286164998 /nfs/dbraw/zinc/16/49/98/1286164998.db2.gz WTJLNPWWZNLQKY-XGXHKWSGSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)CN(C)C ZINC000813877063 1286166688 /nfs/dbraw/zinc/16/66/88/1286166688.db2.gz JWKMQAVJKXHANV-BZUAXINKSA-N 1 3 327.513 3.000 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)cc1)N(C)C ZINC001133968114 1286173639 /nfs/dbraw/zinc/17/36/39/1286173639.db2.gz OBAGEJLVHAZJFN-FQEVSTJZSA-N 1 3 339.483 2.900 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001172609685 1286203191 /nfs/dbraw/zinc/20/31/91/1286203191.db2.gz RDMXQOGMYLMOOE-MSOLQXFVSA-N 1 3 330.472 2.754 20 0 EFADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001172609689 1286203695 /nfs/dbraw/zinc/20/36/95/1286203695.db2.gz RDMXQOGMYLMOOE-ROUUACIJSA-N 1 3 330.472 2.754 20 0 EFADHO COC(=O)N1CCC([NH+]2CCC(N(C)Cc3ccccc3)CC2)CC1 ZINC001172735538 1286249349 /nfs/dbraw/zinc/24/93/49/1286249349.db2.gz GILZGEWXPFSKHQ-UHFFFAOYSA-N 1 3 345.487 2.814 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@@H](OC)C1)C2 ZINC001172939596 1286343318 /nfs/dbraw/zinc/34/33/18/1286343318.db2.gz ROVPEMWNROXZFI-MTQWCTHYSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@@H](OC)C1)C2 ZINC001172939596 1286343328 /nfs/dbraw/zinc/34/33/28/1286343328.db2.gz ROVPEMWNROXZFI-MTQWCTHYSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCN2C)CN1C(=O)OC(C)(C)C ZINC001173051850 1286394254 /nfs/dbraw/zinc/39/42/54/1286394254.db2.gz AFQRLFWELGSEKO-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1CC[C@H](NCC[C@H]2CCC[N@@H+]2C)CN1C(=O)OC(C)(C)C ZINC001173051850 1286394257 /nfs/dbraw/zinc/39/42/57/1286394257.db2.gz AFQRLFWELGSEKO-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1CC[C@H](NCC[C@H]2CCC[N@H+]2C)CN1C(=O)OC(C)(C)C ZINC001173051850 1286394266 /nfs/dbraw/zinc/39/42/66/1286394266.db2.gz AFQRLFWELGSEKO-HRCADAONSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057082 1286395902 /nfs/dbraw/zinc/39/59/02/1286395902.db2.gz LSNUYAVQSFEGDW-VIQHNZTISA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057082 1286395911 /nfs/dbraw/zinc/39/59/11/1286395911.db2.gz LSNUYAVQSFEGDW-VIQHNZTISA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061877 1286397312 /nfs/dbraw/zinc/39/73/12/1286397312.db2.gz MHFBJKFFJIUYQB-NCOADZHNSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061877 1286397321 /nfs/dbraw/zinc/39/73/21/1286397321.db2.gz MHFBJKFFJIUYQB-NCOADZHNSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001173075926 1286409327 /nfs/dbraw/zinc/40/93/27/1286409327.db2.gz MAOBMACLXPZFRY-HOTGVXAUSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@@H]1CC[C@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001173075921 1286409639 /nfs/dbraw/zinc/40/96/39/1286409639.db2.gz MAOBMACLXPZFRY-CVEARBPZSA-N 1 3 337.508 2.802 20 0 EFADHO COCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368795 1286639051 /nfs/dbraw/zinc/63/90/51/1286639051.db2.gz AKIPBWSBTLMTHN-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C3CCC4(C[C@H]4C(=O)OCC)CC3)C[C@H]2C1 ZINC001173628067 1286720496 /nfs/dbraw/zinc/72/04/96/1286720496.db2.gz RGBDWZDZBHIAPB-SSVGKTKLSA-N 1 3 334.504 2.772 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCC([NH3+])(Cc3cccnc3)CC2)C1 ZINC001173630905 1286724056 /nfs/dbraw/zinc/72/40/56/1286724056.db2.gz BGOBDZADRADLIU-AEFFLSMTSA-N 1 3 345.487 2.539 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@H](N2CCC([NH3+])(Cc3cccnc3)CC2)C1 ZINC001173630908 1286724554 /nfs/dbraw/zinc/72/45/54/1286724554.db2.gz BGOBDZADRADLIU-WMZOPIPTSA-N 1 3 345.487 2.539 20 0 EFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001095240900 1286732659 /nfs/dbraw/zinc/73/26/59/1286732659.db2.gz IOOAUESMJGVTAL-FYWCLRHRSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001095240900 1286732668 /nfs/dbraw/zinc/73/26/68/1286732668.db2.gz IOOAUESMJGVTAL-FYWCLRHRSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001095240900 1286732671 /nfs/dbraw/zinc/73/26/71/1286732671.db2.gz IOOAUESMJGVTAL-FYWCLRHRSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001095240900 1286732678 /nfs/dbraw/zinc/73/26/78/1286732678.db2.gz IOOAUESMJGVTAL-FYWCLRHRSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001095240901 1286732801 /nfs/dbraw/zinc/73/28/01/1286732801.db2.gz IOOAUESMJGVTAL-QUCROLBQSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001095240901 1286732809 /nfs/dbraw/zinc/73/28/09/1286732809.db2.gz IOOAUESMJGVTAL-QUCROLBQSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001095240901 1286732812 /nfs/dbraw/zinc/73/28/12/1286732812.db2.gz IOOAUESMJGVTAL-QUCROLBQSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001095240901 1286732818 /nfs/dbraw/zinc/73/28/18/1286732818.db2.gz IOOAUESMJGVTAL-QUCROLBQSA-N 1 3 339.483 2.516 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C(=O)OC)cc3)C[C@@H]2C1 ZINC001173735683 1286770701 /nfs/dbraw/zinc/77/07/01/1286770701.db2.gz QVALLHCCBSWHAQ-ZYSHUDEJSA-N 1 3 330.472 2.678 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc(C(=O)OC)cc3)C[C@@H]2C1 ZINC001173735683 1286770709 /nfs/dbraw/zinc/77/07/09/1286770709.db2.gz QVALLHCCBSWHAQ-ZYSHUDEJSA-N 1 3 330.472 2.678 20 0 EFADHO c1nnn([C@H]2CCC[C@@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC001173751961 1286776562 /nfs/dbraw/zinc/77/65/62/1286776562.db2.gz NTMCDMBENOPDSZ-AEFFLSMTSA-N 1 3 332.496 2.544 20 0 EFADHO C[C@H](CN)C[N@H+](C)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173774202 1286790591 /nfs/dbraw/zinc/79/05/91/1286790591.db2.gz SYRZJAHXUUEULS-GFCCVEGCSA-N 1 3 341.858 2.610 20 0 EFADHO C[C@H](CN)C[N@@H+](C)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001173774202 1286790594 /nfs/dbraw/zinc/79/05/94/1286790594.db2.gz SYRZJAHXUUEULS-GFCCVEGCSA-N 1 3 341.858 2.610 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583455 1286917394 /nfs/dbraw/zinc/91/73/94/1286917394.db2.gz KOAKTXVVLBUFDR-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001134583270 1286917962 /nfs/dbraw/zinc/91/79/62/1286917962.db2.gz HVRJLUCDXYEKSJ-HZPDHXFCSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCc1cccs1 ZINC001134584176 1286918305 /nfs/dbraw/zinc/91/83/05/1286918305.db2.gz RKIKJLOMTVHWMA-CABCVRRESA-N 1 3 337.533 2.648 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001134584178 1286919035 /nfs/dbraw/zinc/91/90/35/1286919035.db2.gz RKIKJLOMTVHWMA-HUUCEWRRSA-N 1 3 337.533 2.648 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134611745 1286947787 /nfs/dbraw/zinc/94/77/87/1286947787.db2.gz BEMLYDBZPCJEPN-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611872 1286949742 /nfs/dbraw/zinc/94/97/42/1286949742.db2.gz CXXZVXCLJFNVKW-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001134607495 1286968007 /nfs/dbraw/zinc/96/80/07/1286968007.db2.gz IIGPFFAFTPYCEU-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134607649 1286969242 /nfs/dbraw/zinc/96/92/42/1286969242.db2.gz JEQFOCRMKVWRKF-HZPDHXFCSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)n1 ZINC001134608181 1286969275 /nfs/dbraw/zinc/96/92/75/1286969275.db2.gz RTXAAYJUNMYQDO-HZPDHXFCSA-N 1 3 346.519 2.556 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001174683198 1287111839 /nfs/dbraw/zinc/11/18/39/1287111839.db2.gz PKFADPAGVLAGIK-MRXNPFEDSA-N 1 3 346.862 2.697 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001174682203 1287112144 /nfs/dbraw/zinc/11/21/44/1287112144.db2.gz FUKAOTCUWWUYDF-UHFFFAOYSA-N 1 3 340.471 2.824 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001174684099 1287113562 /nfs/dbraw/zinc/11/35/62/1287113562.db2.gz ZJKNLDRWIVAESF-UHFFFAOYSA-N 1 3 328.460 2.680 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001174691016 1287114488 /nfs/dbraw/zinc/11/44/88/1287114488.db2.gz GNCLIARVVUHMGC-HNNXBMFYSA-N 1 3 328.460 2.735 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001134759461 1287155144 /nfs/dbraw/zinc/15/51/44/1287155144.db2.gz PGOYOHWWZQYXGJ-UFUQCMIWSA-N 1 3 329.488 2.669 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001134759459 1287155526 /nfs/dbraw/zinc/15/55/26/1287155526.db2.gz PGOYOHWWZQYXGJ-POGDKVGISA-N 1 3 329.488 2.669 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134763152 1287159113 /nfs/dbraw/zinc/15/91/13/1287159113.db2.gz OAQSBNSDJCRKJZ-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134762511 1287159451 /nfs/dbraw/zinc/15/94/51/1287159451.db2.gz ACKYWIKIOLGVQQ-SFHVURJKSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1C ZINC001134766423 1287163681 /nfs/dbraw/zinc/16/36/81/1287163681.db2.gz HZPNACSZDVGAIZ-IBGZPJMESA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1F ZINC001134767327 1287163738 /nfs/dbraw/zinc/16/37/38/1287163738.db2.gz WEDBFKYXJMELST-GOSISDBHSA-N 1 3 335.467 2.603 20 0 EFADHO CCc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001134767262 1287164425 /nfs/dbraw/zinc/16/44/25/1287164425.db2.gz UPBATRWWFZYTND-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001134768714 1287166644 /nfs/dbraw/zinc/16/66/44/1287166644.db2.gz FOJPSVGOBUTAKU-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001134773181 1287171871 /nfs/dbraw/zinc/17/18/71/1287171871.db2.gz NDSSNVJSUMDBCV-CVEARBPZSA-N 1 3 348.535 2.802 20 0 EFADHO COCCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170770412 1287175993 /nfs/dbraw/zinc/17/59/93/1287175993.db2.gz WBUYWWWPGRIXLD-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114484089 1287197532 /nfs/dbraw/zinc/19/75/32/1287197532.db2.gz RJAPDAFPENSZDU-GDAAHCPNSA-N 1 3 343.515 2.833 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114484089 1287197533 /nfs/dbraw/zinc/19/75/33/1287197533.db2.gz RJAPDAFPENSZDU-GDAAHCPNSA-N 1 3 343.515 2.833 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)s1 ZINC001176276856 1287919182 /nfs/dbraw/zinc/91/91/82/1287919182.db2.gz BXGQKQVTYUPOGK-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176284399 1287923074 /nfs/dbraw/zinc/92/30/74/1287923074.db2.gz FUUIQGONUMHIFV-OAHLLOKOSA-N 1 3 325.522 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176286078 1287923645 /nfs/dbraw/zinc/92/36/45/1287923645.db2.gz TZMOOPHMEYQYRX-MRXNPFEDSA-N 1 3 337.483 2.932 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)NCc1c(F)cccc1F ZINC001135315555 1287944164 /nfs/dbraw/zinc/94/41/64/1287944164.db2.gz QAFKVXFKKXFLCT-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176351601 1287960748 /nfs/dbraw/zinc/96/07/48/1287960748.db2.gz VLVJCABBTDOXDB-AWEZNQCLSA-N 1 3 334.508 2.961 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1F ZINC001135336968 1287963150 /nfs/dbraw/zinc/96/31/50/1287963150.db2.gz QXULNXMWSIEVJI-OAHLLOKOSA-N 1 3 343.446 2.968 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CCC(C)(C)C1 ZINC001135466827 1288031182 /nfs/dbraw/zinc/03/11/82/1288031182.db2.gz AMRAAODMFASSNI-HOTGVXAUSA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475837 1288047287 /nfs/dbraw/zinc/04/72/87/1288047287.db2.gz GDHDRWQOUPIAGU-IRXDYDNUSA-N 1 3 343.556 2.510 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001135511721 1288068060 /nfs/dbraw/zinc/06/80/60/1288068060.db2.gz ZVWBVPCHAORRMZ-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO C[C@H]1[C@@H](NCc2cccc(Cl)c2F)CCN1C(=O)CC[NH+](C)C ZINC001179472455 1289154625 /nfs/dbraw/zinc/15/46/25/1289154625.db2.gz NFSSFPLSVVBWTA-WFASDCNBSA-N 1 3 341.858 2.510 20 0 EFADHO C[C@@H](CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000217955580 1288115327 /nfs/dbraw/zinc/11/53/27/1288115327.db2.gz JOJPWJKNUMVJIA-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000217955580 1288115330 /nfs/dbraw/zinc/11/53/30/1288115330.db2.gz JOJPWJKNUMVJIA-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000217955501 1288115340 /nfs/dbraw/zinc/11/53/40/1288115340.db2.gz JOJPWJKNUMVJIA-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000217955501 1288115343 /nfs/dbraw/zinc/11/53/43/1288115343.db2.gz JOJPWJKNUMVJIA-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001176754445 1288120300 /nfs/dbraw/zinc/12/03/00/1288120300.db2.gz VXJHNKXLAMTEQE-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1ncsc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C ZINC001176754869 1288120546 /nfs/dbraw/zinc/12/05/46/1288120546.db2.gz ZRALCLZVDMKBPI-CQSZACIVSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001176753692 1288120618 /nfs/dbraw/zinc/12/06/18/1288120618.db2.gz KSVFJNKGTDYRSU-GFAPJHNFSA-N 1 3 338.323 2.910 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001176754434 1288120808 /nfs/dbraw/zinc/12/08/08/1288120808.db2.gz VTJFVIIOBKXILE-CYBMUJFWSA-N 1 3 325.419 2.544 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176758774 1288121442 /nfs/dbraw/zinc/12/14/42/1288121442.db2.gz DSEOUXRRVMANRS-INIZCTEOSA-N 1 3 339.549 2.895 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176760390 1288122861 /nfs/dbraw/zinc/12/28/61/1288122861.db2.gz WMLOCGKMJPFWAK-HKUYNNGSSA-N 1 3 346.519 2.721 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)c2cccc(CN(C)C)c2)c1 ZINC001176884291 1288161571 /nfs/dbraw/zinc/16/15/71/1288161571.db2.gz ALLGFSUODIWZEL-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]Cc1ccccc1 ZINC001176948068 1288190828 /nfs/dbraw/zinc/19/08/28/1288190828.db2.gz DXJWPGOEKMBFFA-UHFFFAOYSA-N 1 3 325.456 2.658 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)c2ccccc2CN(C)C)cc1 ZINC001176948170 1288191376 /nfs/dbraw/zinc/19/13/76/1288191376.db2.gz JHWZDUBLPBHEDJ-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176972341 1288200691 /nfs/dbraw/zinc/20/06/91/1288200691.db2.gz XDIGSACQZSETFU-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001176972377 1288201884 /nfs/dbraw/zinc/20/18/84/1288201884.db2.gz YPKMGFNQZFEDFC-QGZVFWFLSA-N 1 3 337.895 2.763 20 0 EFADHO Cc1cccc(C)c1OCCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176974862 1288203148 /nfs/dbraw/zinc/20/31/48/1288203148.db2.gz DYJBZAOCKRSKNG-UHFFFAOYSA-N 1 3 349.519 2.508 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176980443 1288204504 /nfs/dbraw/zinc/20/45/04/1288204504.db2.gz GWMLFJFKCHMQIG-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176986106 1288206602 /nfs/dbraw/zinc/20/66/02/1288206602.db2.gz DYJHWRQMSNISCR-IBGZPJMESA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001176986262 1288207589 /nfs/dbraw/zinc/20/75/89/1288207589.db2.gz IZOOZTPUPJSXFI-SFHVURJKSA-N 1 3 335.467 2.626 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC001176986898 1288207636 /nfs/dbraw/zinc/20/76/36/1288207636.db2.gz XZXADWXGBYCHSC-AWEZNQCLSA-N 1 3 325.884 2.837 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1cccc(F)c1 ZINC001176987015 1288208117 /nfs/dbraw/zinc/20/81/17/1288208117.db2.gz ZJDORBLIWAZSBP-IBGZPJMESA-N 1 3 349.494 2.729 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001176992357 1288218012 /nfs/dbraw/zinc/21/80/12/1288218012.db2.gz NBYBLMLAIRMIOB-MAUKXSAKSA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCOC ZINC001135691755 1288269542 /nfs/dbraw/zinc/26/95/42/1288269542.db2.gz ZIAMFIDVQHRPJY-QZTJIDSGSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C ZINC001179534404 1289167853 /nfs/dbraw/zinc/16/78/53/1289167853.db2.gz KKHLRNFDOYBDDA-KKUMJFAQSA-N 1 3 349.441 2.782 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C ZINC001179534941 1289168654 /nfs/dbraw/zinc/16/86/54/1289168654.db2.gz ZENHOHBWZGYFSC-RYRKJORJSA-N 1 3 349.544 2.744 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135706671 1288290996 /nfs/dbraw/zinc/29/09/96/1288290996.db2.gz ZEDSMCSTLDXHFG-DLBZAZTESA-N 1 3 349.519 2.718 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135706661 1288291122 /nfs/dbraw/zinc/29/11/22/1288291122.db2.gz YVZAGEGBRAZNRQ-ROUUACIJSA-N 1 3 333.520 2.834 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549750 1289186462 /nfs/dbraw/zinc/18/64/62/1289186462.db2.gz JAFSEVQXQPTFRC-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135743197 1288323271 /nfs/dbraw/zinc/32/32/71/1288323271.db2.gz GPSHFEXPULNNQA-ROUUACIJSA-N 1 3 333.520 2.752 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135747161 1288329098 /nfs/dbraw/zinc/32/90/98/1288329098.db2.gz NXNGDDWFKYGBEC-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001179592463 1289193366 /nfs/dbraw/zinc/19/33/66/1289193366.db2.gz CCYUPCOUTYHSQI-KTKRTIGZSA-N 1 3 331.932 2.983 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(CCC[NH2+]CCCF)CC2CCCC2)C1 ZINC001177415611 1288423522 /nfs/dbraw/zinc/42/35/22/1288423522.db2.gz FUWKFZXCTCPAJR-QGZVFWFLSA-N 1 3 341.515 2.686 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001135979142 1288703937 /nfs/dbraw/zinc/70/39/37/1288703937.db2.gz COAFUTLYOARIGV-QZTJIDSGSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001135979343 1288704386 /nfs/dbraw/zinc/70/43/86/1288704386.db2.gz FUFIDVUSFQTOOK-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001135981057 1288706912 /nfs/dbraw/zinc/70/69/12/1288706912.db2.gz WXPJWPMFQVVKIP-JKSUJKDBSA-N 1 3 337.483 2.583 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001135981077 1288706990 /nfs/dbraw/zinc/70/69/90/1288706990.db2.gz XGPBWXFKYMNVJE-ZIAGYGMSSA-N 1 3 339.446 2.934 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693513 1288873267 /nfs/dbraw/zinc/87/32/67/1288873267.db2.gz UXGTXRXQWYCZGM-UHFFFAOYSA-N 1 3 341.540 2.554 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)C1CC1 ZINC001178698368 1288875625 /nfs/dbraw/zinc/87/56/25/1288875625.db2.gz FKLKFRLOJLSXHV-QGZVFWFLSA-N 1 3 329.504 2.733 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)C1CC1 ZINC001178698534 1288876039 /nfs/dbraw/zinc/87/60/39/1288876039.db2.gz KNOKYYZBHFJCCQ-CQSZACIVSA-N 1 3 337.430 2.545 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251861 1312681087 /nfs/dbraw/zinc/68/10/87/1312681087.db2.gz YFDNFPIJCGBDBL-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251861 1312681088 /nfs/dbraw/zinc/68/10/88/1312681088.db2.gz YFDNFPIJCGBDBL-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251859 1312681424 /nfs/dbraw/zinc/68/14/24/1312681424.db2.gz YFDNFPIJCGBDBL-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251859 1312681428 /nfs/dbraw/zinc/68/14/28/1312681428.db2.gz YFDNFPIJCGBDBL-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001178813441 1288923180 /nfs/dbraw/zinc/92/31/80/1288923180.db2.gz HFZFELXTFWEOGM-IMJJTQAJSA-N 1 3 341.496 2.507 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001178853193 1288942864 /nfs/dbraw/zinc/94/28/64/1288942864.db2.gz DFVJODQTZUFTOU-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1scnc1C)N(C)C ZINC001178815653 1288945147 /nfs/dbraw/zinc/94/51/47/1288945147.db2.gz IVHIWFSXMKQMGS-OAHLLOKOSA-N 1 3 340.537 2.558 20 0 EFADHO C[NH+]1CCN(c2ccc(CN3CCC(C(F)(F)F)CC3)cn2)CC1 ZINC001232361262 1312685870 /nfs/dbraw/zinc/68/58/70/1312685870.db2.gz VVQZEARNZGEBKS-UHFFFAOYSA-N 1 3 342.409 2.608 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccccn3)cn2)CC1 ZINC001232365292 1312687399 /nfs/dbraw/zinc/68/73/99/1312687399.db2.gz FUISECVZGBSLGH-IBGZPJMESA-N 1 3 337.471 2.566 20 0 EFADHO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cn2)CC1 ZINC001232365292 1312687403 /nfs/dbraw/zinc/68/74/03/1312687403.db2.gz FUISECVZGBSLGH-IBGZPJMESA-N 1 3 337.471 2.566 20 0 EFADHO CCCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539132 1289183324 /nfs/dbraw/zinc/18/33/24/1289183324.db2.gz PJTJZNRLXISCCP-MPGHIAIKSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179539282 1289183495 /nfs/dbraw/zinc/18/34/95/1289183495.db2.gz STSVUHOIPPYQBH-JFGIWIJYSA-N 1 3 345.890 2.530 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549984 1289186620 /nfs/dbraw/zinc/18/66/20/1289186620.db2.gz OTFOWZWZQKYDGW-HOTGVXAUSA-N 1 3 329.504 2.683 20 0 EFADHO CC(C)OCC[NH+]1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277657706 1312690605 /nfs/dbraw/zinc/69/06/05/1312690605.db2.gz KTWNOFVMUWKNNW-UHFFFAOYSA-N 1 3 333.476 2.500 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001179580265 1289200891 /nfs/dbraw/zinc/20/08/91/1289200891.db2.gz BKSOZTHLGWQHJX-AWEZNQCLSA-N 1 3 337.430 2.689 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580438 1289201342 /nfs/dbraw/zinc/20/13/42/1289201342.db2.gz GZBUKWNVCQXPIP-KRWDZBQOSA-N 1 3 346.519 2.641 20 0 EFADHO COCCCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580868 1289201561 /nfs/dbraw/zinc/20/15/61/1289201561.db2.gz TXGKTBPZKGRRPN-GOSISDBHSA-N 1 3 341.540 2.554 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580439 1289201866 /nfs/dbraw/zinc/20/18/66/1289201866.db2.gz GZBUKWNVCQXPIP-QGZVFWFLSA-N 1 3 346.519 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccccc2)C1 ZINC001179585270 1289203761 /nfs/dbraw/zinc/20/37/61/1289203761.db2.gz GCCDWUFYPPBMBY-SFHVURJKSA-N 1 3 331.504 2.795 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccccc2F)C1 ZINC001179585779 1289203849 /nfs/dbraw/zinc/20/38/49/1289203849.db2.gz LFCQRNCTJJDWEH-QGZVFWFLSA-N 1 3 349.494 2.934 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179656737 1289207473 /nfs/dbraw/zinc/20/74/73/1289207473.db2.gz QXMNUILKSKDWJN-JSGCOSHPSA-N 1 3 348.318 2.616 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179744543 1289256569 /nfs/dbraw/zinc/25/65/69/1289256569.db2.gz VIFSNASQGFMRKN-LNLFQRSKSA-N 1 3 331.504 2.977 20 0 EFADHO COCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179745618 1289256786 /nfs/dbraw/zinc/25/67/86/1289256786.db2.gz FDNCBWWCSBYPRD-SFHVURJKSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2F)[C@@H]1C ZINC001179763004 1289262550 /nfs/dbraw/zinc/26/25/50/1289262550.db2.gz FNDCLILLAQKINB-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1c(F)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1F ZINC001232425351 1312701354 /nfs/dbraw/zinc/70/13/54/1312701354.db2.gz IBKWLGHRDHKSHL-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001179979423 1289348706 /nfs/dbraw/zinc/34/87/06/1289348706.db2.gz XGGPAPBNFOAZJM-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc(C)ccc2F)[C@@H]1C ZINC001179979423 1289348717 /nfs/dbraw/zinc/34/87/17/1289348717.db2.gz XGGPAPBNFOAZJM-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179979429 1289349205 /nfs/dbraw/zinc/34/92/05/1289349205.db2.gz XOCWFESTOLRDMB-STQMWFEESA-N 1 3 336.307 2.616 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001179979429 1289349214 /nfs/dbraw/zinc/34/92/14/1289349214.db2.gz XOCWFESTOLRDMB-STQMWFEESA-N 1 3 336.307 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001179982714 1289350570 /nfs/dbraw/zinc/35/05/70/1289350570.db2.gz DIWFIJHIIPCDAP-YJBOKZPZSA-N 1 3 342.487 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2F)[C@@H]1C ZINC001179982838 1289351317 /nfs/dbraw/zinc/35/13/17/1289351317.db2.gz DWZRVZBMODSWDU-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2CC)[C@@H]1C ZINC001179987397 1289353908 /nfs/dbraw/zinc/35/39/08/1289353908.db2.gz UVIFEWSQWGUJLE-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]1C ZINC001179986939 1289354536 /nfs/dbraw/zinc/35/45/36/1289354536.db2.gz HWQIFFSNLWKLDU-ZYSHUDEJSA-N 1 3 329.488 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)[C@@H]1C ZINC001179987333 1289354887 /nfs/dbraw/zinc/35/48/87/1289354887.db2.gz QDJBZCODFHQKCO-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)c2cc1OC ZINC000872778197 1289375706 /nfs/dbraw/zinc/37/57/06/1289375706.db2.gz CVDLYMNTMLJZQW-IAGOWNOFSA-N 1 3 327.428 2.925 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4[C@H]3CCC[N@H+]4C)c2cc1OC ZINC000872778197 1289375715 /nfs/dbraw/zinc/37/57/15/1289375715.db2.gz CVDLYMNTMLJZQW-IAGOWNOFSA-N 1 3 327.428 2.925 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC/C=C/c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001180131831 1289413608 /nfs/dbraw/zinc/41/36/08/1289413608.db2.gz NLTUPLBOZCHXKL-OVQHYLNESA-N 1 3 341.499 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cnc(C)s1 ZINC001180121850 1289424397 /nfs/dbraw/zinc/42/43/97/1289424397.db2.gz ZAWJYIHJNPWEHY-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CCc1cccs1 ZINC001180158039 1289437092 /nfs/dbraw/zinc/43/70/92/1289437092.db2.gz DVXOXGMOXSHENK-UHFFFAOYSA-N 1 3 348.516 2.831 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180221583 1289450235 /nfs/dbraw/zinc/45/02/35/1289450235.db2.gz AQLCYYAYEIKJKT-LPHOPBHVSA-N 1 3 331.504 2.668 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H]1C ZINC001180226904 1289451337 /nfs/dbraw/zinc/45/13/37/1289451337.db2.gz SDXKZUVVJGXWHK-VKJFTORMSA-N 1 3 335.467 2.806 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226814 1289451400 /nfs/dbraw/zinc/45/14/00/1289451400.db2.gz NVVIMEWDDGSQLE-YJBOKZPZSA-N 1 3 335.467 2.553 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)[C@@H]1C ZINC001180226590 1289451546 /nfs/dbraw/zinc/45/15/46/1289451546.db2.gz CABGSYDFBODSER-SNRMKQJTSA-N 1 3 329.488 2.593 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)C1 ZINC001180260411 1289469111 /nfs/dbraw/zinc/46/91/11/1289469111.db2.gz YNJOCDPHUWSVJA-ODUNQGDFSA-N 1 3 336.307 2.523 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)C1 ZINC001180260411 1289469116 /nfs/dbraw/zinc/46/91/16/1289469116.db2.gz YNJOCDPHUWSVJA-ODUNQGDFSA-N 1 3 336.307 2.523 20 0 EFADHO CCN(CC)CC(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001180390714 1289507261 /nfs/dbraw/zinc/50/72/61/1289507261.db2.gz GINBMMZCHKZEED-GHBBCFCZSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CCc1cccs1 ZINC001180369489 1289515812 /nfs/dbraw/zinc/51/58/12/1289515812.db2.gz IPWHZXJUMPXZHV-UHFFFAOYSA-N 1 3 339.549 2.897 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180369806 1289516274 /nfs/dbraw/zinc/51/62/74/1289516274.db2.gz YQWDBQQFVVOAPK-UHFFFAOYSA-N 1 3 325.522 2.855 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001166010004 1312717110 /nfs/dbraw/zinc/71/71/10/1312717110.db2.gz DXRXLETVPPNADH-UYAOXDASSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001166004468 1312717214 /nfs/dbraw/zinc/71/72/14/1312717214.db2.gz OOUYMSRWPNEHPF-MRXNPFEDSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010895 1312717953 /nfs/dbraw/zinc/71/79/53/1312717953.db2.gz UJYIKARSBVHPRX-LJQANCHMSA-N 1 3 333.520 2.992 20 0 EFADHO CC(C)[C@H](C(=O)NCCCN[C@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001166010620 1312717999 /nfs/dbraw/zinc/71/79/99/1312717999.db2.gz QQRMMTYWINEZSL-CXAGYDPISA-N 1 3 341.446 2.708 20 0 EFADHO C[C@H](C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1)N1CCCC1 ZINC001180584252 1289577631 /nfs/dbraw/zinc/57/76/31/1289577631.db2.gz SZHXZYSTAGLMKN-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCc1ccccc1Cl)N(C)C ZINC001166011202 1312718630 /nfs/dbraw/zinc/71/86/30/1312718630.db2.gz ZLMIVFXSBTZRBC-QGZVFWFLSA-N 1 3 339.911 2.565 20 0 EFADHO c1csc(N2CCCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873203781 1289639859 /nfs/dbraw/zinc/63/98/59/1289639859.db2.gz NVDWIZDUSBQEHC-UHFFFAOYSA-N 1 3 334.514 2.563 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211013 1289646737 /nfs/dbraw/zinc/64/67/37/1289646737.db2.gz GYBZWBFPDNKEBJ-OAGGEKHMSA-N 1 3 327.513 2.700 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211013 1289646746 /nfs/dbraw/zinc/64/67/46/1289646746.db2.gz GYBZWBFPDNKEBJ-OAGGEKHMSA-N 1 3 327.513 2.700 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329188 1312723177 /nfs/dbraw/zinc/72/31/77/1312723177.db2.gz KGEVGWFKLBNSFI-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001016329188 1312723180 /nfs/dbraw/zinc/72/31/80/1312723180.db2.gz KGEVGWFKLBNSFI-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CN[C@H](C)C1CC[NH2+]CC1 ZINC000873220790 1289652361 /nfs/dbraw/zinc/65/23/61/1289652361.db2.gz TVBPDBIWQGMWKM-GFCCVEGCSA-N 1 3 344.908 2.611 20 0 EFADHO CN(C)c1ncc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873231993 1289666412 /nfs/dbraw/zinc/66/64/12/1289666412.db2.gz ISLPGFMQLYDVPP-CRAIPNDOSA-N 1 3 331.508 2.662 20 0 EFADHO c1c(CN[C@@H]2CCCCC23CC[NH2+]CC3)nnn1-c1ccccc1 ZINC000873232735 1289667028 /nfs/dbraw/zinc/66/70/28/1289667028.db2.gz KAOZOVJQVGFIGQ-GOSISDBHSA-N 1 3 325.460 2.669 20 0 EFADHO CN(C)c1ncc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873231996 1289667215 /nfs/dbraw/zinc/66/72/15/1289667215.db2.gz ISLPGFMQLYDVPP-MAUKXSAKSA-N 1 3 331.508 2.662 20 0 EFADHO Cn1cc([C@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(F)c2)cn1 ZINC000873265667 1289690534 /nfs/dbraw/zinc/69/05/34/1289690534.db2.gz WTKVBENMDPSTMG-VUKOWNLVSA-N 1 3 328.435 2.769 20 0 EFADHO COc1ccc([C@@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000873290546 1289706068 /nfs/dbraw/zinc/70/60/68/1289706068.db2.gz RISCUSOZBPSYJG-GDBMZVCRSA-N 1 3 334.460 2.513 20 0 EFADHO COC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000873291142 1289706150 /nfs/dbraw/zinc/70/61/50/1289706150.db2.gz DPTMGJLCVTWWCS-DLBZAZTESA-N 1 3 338.879 2.776 20 0 EFADHO COC[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873294358 1289708462 /nfs/dbraw/zinc/70/84/62/1289708462.db2.gz VHZUVBZWIWMFHI-IRXDYDNUSA-N 1 3 338.879 2.776 20 0 EFADHO c1c[nH]c([C@H](NC[C@H]2CC3(CO2)CC[NH2+]CC3)C2CCCCC2)n1 ZINC000873294563 1289708785 /nfs/dbraw/zinc/70/87/85/1289708785.db2.gz WSYGCHRSHCJSND-IAGOWNOFSA-N 1 3 332.492 2.779 20 0 EFADHO COC[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873294359 1289709227 /nfs/dbraw/zinc/70/92/27/1289709227.db2.gz VHZUVBZWIWMFHI-SJORKVTESA-N 1 3 338.879 2.776 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000151586013 1289772092 /nfs/dbraw/zinc/77/20/92/1289772092.db2.gz JGYOPMOJBUPRHT-UTKZUKDTSA-N 1 3 327.516 2.971 20 0 EFADHO COc1cc(CN2CC3(C2)CC[NH+](C)CC3)ccc1-n1cnc(C)c1 ZINC001232564173 1312734163 /nfs/dbraw/zinc/73/41/63/1312734163.db2.gz GZDJPOHGXNKYRP-UHFFFAOYSA-N 1 3 340.471 2.717 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181441507 1289806573 /nfs/dbraw/zinc/80/65/73/1289806573.db2.gz PUQXMTAWIFKELX-IMFGXOCKSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441081 1289807939 /nfs/dbraw/zinc/80/79/39/1289807939.db2.gz LBEHHPQCMAARFV-QWFCFKBJSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001181745062 1289927334 /nfs/dbraw/zinc/92/73/34/1289927334.db2.gz BCKBHEILFDXMGY-VQIMIIECSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754434 1289929956 /nfs/dbraw/zinc/92/99/56/1289929956.db2.gz AKUZWGGDTJSIOD-MDRBYLPWSA-N 1 3 335.536 2.757 20 0 EFADHO CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754445 1289930065 /nfs/dbraw/zinc/93/00/65/1289930065.db2.gz ARWPTQNMINTVTQ-IMFGXOCKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181755235 1289930307 /nfs/dbraw/zinc/93/03/07/1289930307.db2.gz KUAQYQLDAPTWOU-LKUPVBHCSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800882 1289943131 /nfs/dbraw/zinc/94/31/31/1289943131.db2.gz FMWOSMMWIXLPIM-VXIBKDFQSA-N 1 3 325.541 2.693 20 0 EFADHO CCn1ccnc1CN[C@@]12CC[C@@](Nc3cc[nH+]cc3)(C1)CCC2 ZINC001277693443 1312748837 /nfs/dbraw/zinc/74/88/37/1312748837.db2.gz GSPDRXVSPIMVCT-RBUKOAKNSA-N 1 3 325.460 2.767 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)n1ccc(C[NH3+])cc1=N)c1ccccc1 ZINC001182231732 1290113568 /nfs/dbraw/zinc/11/35/68/1290113568.db2.gz AFGGNJVWCSOBLO-LJQANCHMSA-N 1 3 340.471 2.930 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCCCCF)CC1)CC(C)(C)C ZINC001202538834 1290172482 /nfs/dbraw/zinc/17/24/82/1290172482.db2.gz DBADXQWBWGXWJA-UHFFFAOYSA-N 1 3 329.504 2.685 20 0 EFADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517901 1290212876 /nfs/dbraw/zinc/21/28/76/1290212876.db2.gz ZQOZYIZTPSOJLJ-ZHALLVOQSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182516316 1290213256 /nfs/dbraw/zinc/21/32/56/1290213256.db2.gz FMWOSMMWIXLPIM-DODZYUBVSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001182637365 1290230379 /nfs/dbraw/zinc/23/03/79/1290230379.db2.gz BCJJOUWQDNVYSH-MOXGXCLJSA-N 1 3 349.494 2.740 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001182973229 1290287754 /nfs/dbraw/zinc/28/77/54/1290287754.db2.gz BYAGLXCCWLCWNZ-PMBGHPPTSA-N 1 3 347.478 2.570 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@@H](N3C[C@@H](C)[C@H](CC[NH3+])C3)C2=O)c1 ZINC000903497300 1312773531 /nfs/dbraw/zinc/77/35/31/1312773531.db2.gz UQKJPHZYWDUKDS-BFYDXBDKSA-N 1 3 333.451 2.546 20 0 EFADHO Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001183288993 1290322268 /nfs/dbraw/zinc/32/22/68/1290322268.db2.gz OTHQVWNWWJHLEW-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001037129867 1290324934 /nfs/dbraw/zinc/32/49/34/1290324934.db2.gz FMAHZUJLSHXRNB-ZWKOTPCHSA-N 1 3 340.471 2.644 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001183516930 1290352938 /nfs/dbraw/zinc/35/29/38/1290352938.db2.gz GGQFNEDYHNYLEG-YVWKXTFCSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183509801 1290357459 /nfs/dbraw/zinc/35/74/59/1290357459.db2.gz OPGXEBFLLZDXSV-OXQOHEQNSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001183510294 1290357849 /nfs/dbraw/zinc/35/78/49/1290357849.db2.gz UADJECLHZCKZAD-OXQOHEQNSA-N 1 3 331.504 2.844 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000874844279 1290390104 /nfs/dbraw/zinc/39/01/04/1290390104.db2.gz REMZWXLSWLZKHJ-PMACEKPBSA-N 1 3 341.499 2.594 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001184578870 1290477304 /nfs/dbraw/zinc/47/73/04/1290477304.db2.gz ZLIVAOZBSMBHED-SLXDBMQSSA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578872 1290477463 /nfs/dbraw/zinc/47/74/63/1290477463.db2.gz ZLIVAOZBSMBHED-WIJVFFIESA-N 1 3 335.536 2.901 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)CCCC1 ZINC001184628812 1290483974 /nfs/dbraw/zinc/48/39/74/1290483974.db2.gz QVNPPEXAAFUGCU-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@@H](C)C1 ZINC001184710883 1290497116 /nfs/dbraw/zinc/49/71/16/1290497116.db2.gz ADSIYPSACYIBBE-RJXMKIDGSA-N 1 3 329.916 2.543 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903507171 1312787121 /nfs/dbraw/zinc/78/71/21/1312787121.db2.gz POINGOUYAZHUKO-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(Cl)c1 ZINC000903507171 1312787128 /nfs/dbraw/zinc/78/71/28/1312787128.db2.gz POINGOUYAZHUKO-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(Cl)c1 ZINC000903507171 1312787130 /nfs/dbraw/zinc/78/71/30/1312787130.db2.gz POINGOUYAZHUKO-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037157639 1290637630 /nfs/dbraw/zinc/63/76/30/1290637630.db2.gz PHAZJYXCZXLUFY-HZPDHXFCSA-N 1 3 332.492 2.571 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCF)[C@@H](C)C1 ZINC001185316392 1290646724 /nfs/dbraw/zinc/64/67/24/1290646724.db2.gz FCSFVJVIYPCPCU-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361205 1290650831 /nfs/dbraw/zinc/65/08/31/1290650831.db2.gz WEJXWJXDNMAWBO-AEFFLSMTSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@@H](C)C1 ZINC001185361227 1290651142 /nfs/dbraw/zinc/65/11/42/1290651142.db2.gz WPUVQMBVOMSSNC-ROUUACIJSA-N 1 3 325.541 2.839 20 0 EFADHO CCOC(=O)c1cnc(NCC2CC[NH+](C(C)C)CC2)cc1N(C)C ZINC001166593406 1312798989 /nfs/dbraw/zinc/79/89/89/1312798989.db2.gz CEMGLCNZWAAIBF-UHFFFAOYSA-N 1 3 348.491 2.857 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185382325 1290662669 /nfs/dbraw/zinc/66/26/69/1290662669.db2.gz ZCQXKVNZEHNTRD-MOPGFXCFSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001037157936 1290668312 /nfs/dbraw/zinc/66/83/12/1290668312.db2.gz RFXICJKNQBZHHQ-ROUUACIJSA-N 1 3 340.471 2.644 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185550187 1290706093 /nfs/dbraw/zinc/70/60/93/1290706093.db2.gz UBFXMRIZBGEVIF-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001185550160 1290706368 /nfs/dbraw/zinc/70/63/68/1290706368.db2.gz STDFMWPYJOEEJM-RDJZCZTQSA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185546184 1290717424 /nfs/dbraw/zinc/71/74/24/1290717424.db2.gz AOQMANLDPJZUFZ-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC001185546227 1290717575 /nfs/dbraw/zinc/71/75/75/1290717575.db2.gz BHYFMHKGRBLJGZ-DLBZAZTESA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185546503 1290718458 /nfs/dbraw/zinc/71/84/58/1290718458.db2.gz CREPCRPWHKNZNW-HKUYNNGSSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001185547834 1290718488 /nfs/dbraw/zinc/71/84/88/1290718488.db2.gz KAHKDWIMUCFHDN-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001185547512 1290718563 /nfs/dbraw/zinc/71/85/63/1290718563.db2.gz IGOQZMXPJBONSI-QUCCMNQESA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001185547832 1290718650 /nfs/dbraw/zinc/71/86/50/1290718650.db2.gz KAHKDWIMUCFHDN-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001185547835 1290718767 /nfs/dbraw/zinc/71/87/67/1290718767.db2.gz KAHKDWIMUCFHDN-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001185547825 1290719117 /nfs/dbraw/zinc/71/91/17/1290719117.db2.gz JZHZBEVNGYLANU-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001185547781 1290719408 /nfs/dbraw/zinc/71/94/08/1290719408.db2.gz JOYHQQXJCAJQDU-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)cc1 ZINC001166626265 1312805744 /nfs/dbraw/zinc/80/57/44/1312805744.db2.gz CWJYVZSQLSOSKO-YJBOKZPZSA-N 1 3 335.467 2.857 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)N(C)C ZINC001185716138 1290750693 /nfs/dbraw/zinc/75/06/93/1290750693.db2.gz QDDYJLJXKXLMOR-VGRIIWOTSA-N 1 3 349.906 2.884 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001166627671 1312806643 /nfs/dbraw/zinc/80/66/43/1312806643.db2.gz ZBNQAEAWTQLRSW-RDTXWAMCSA-N 1 3 349.906 2.908 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166627023 1312806229 /nfs/dbraw/zinc/80/62/29/1312806229.db2.gz OCOFPHJZRQHRSQ-SFHVURJKSA-N 1 3 345.531 2.965 20 0 EFADHO CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185742004 1290755038 /nfs/dbraw/zinc/75/50/38/1290755038.db2.gz QAKVGDYKROXPOM-LPHOPBHVSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185763640 1290758180 /nfs/dbraw/zinc/75/81/80/1290758180.db2.gz UFIOSFDXBSBRJW-IAGOWNOFSA-N 1 3 329.504 2.541 20 0 EFADHO CCCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)[C@@H]1CCN(C)C1 ZINC000876028268 1290760052 /nfs/dbraw/zinc/76/00/52/1290760052.db2.gz RCZIYOIGPUICBV-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001185750233 1290762930 /nfs/dbraw/zinc/76/29/30/1290762930.db2.gz IFCPJIIBCQMMEP-DOTOQJQBSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001185749918 1290763042 /nfs/dbraw/zinc/76/30/42/1290763042.db2.gz FPHMKVVNSXKXOJ-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185754257 1290764044 /nfs/dbraw/zinc/76/40/44/1290764044.db2.gz ZUSPAQMIAJWRJL-WMZOPIPTSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001185752869 1290764101 /nfs/dbraw/zinc/76/41/01/1290764101.db2.gz VSRBXVHESYYWTD-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1F ZINC001166634864 1312808843 /nfs/dbraw/zinc/80/88/43/1312808843.db2.gz WSZVUWQNSJGIJZ-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662127 1290787371 /nfs/dbraw/zinc/78/73/71/1290787371.db2.gz DCBFOUFIAFBUPX-IVZLNFIPSA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001114662127 1290787377 /nfs/dbraw/zinc/78/73/77/1290787377.db2.gz DCBFOUFIAFBUPX-IVZLNFIPSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1Cl ZINC001166646077 1312810335 /nfs/dbraw/zinc/81/03/35/1312810335.db2.gz XYKYNHJOOIQNBI-CABCVRRESA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1F ZINC001166646034 1312810446 /nfs/dbraw/zinc/81/04/46/1312810446.db2.gz XPNNSNFNDJJIES-KGLIPLIRSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001166676635 1312816558 /nfs/dbraw/zinc/81/65/58/1312816558.db2.gz ACUWIMMGOIBQQN-KBXCAEBGSA-N 1 3 349.906 2.765 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166677811 1312817069 /nfs/dbraw/zinc/81/70/69/1312817069.db2.gz NPRILHNORKZEJM-AEFFLSMTSA-N 1 3 331.504 2.802 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001186411613 1290949435 /nfs/dbraw/zinc/94/94/35/1290949435.db2.gz BKJKOFHVZXOPMH-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001186452149 1290955938 /nfs/dbraw/zinc/95/59/38/1290955938.db2.gz LALSJQGANRQJHF-QGZVFWFLSA-N 1 3 337.895 2.681 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001186486749 1290963943 /nfs/dbraw/zinc/96/39/43/1290963943.db2.gz CZNUUWHTUMTBDP-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1nn(C)c2nc(Cl)c(CNCC3CC[NH+](C4CC4)CC3)cc12 ZINC000775021938 1290964526 /nfs/dbraw/zinc/96/45/26/1290964526.db2.gz BIADUMNKEHWXRH-UHFFFAOYSA-N 1 3 347.894 2.894 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001186488302 1290964785 /nfs/dbraw/zinc/96/47/85/1290964785.db2.gz PQZOBSFPYIESNO-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001186488373 1290964889 /nfs/dbraw/zinc/96/48/89/1290964889.db2.gz QDIBGMBZCKQVFJ-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001186488304 1290965203 /nfs/dbraw/zinc/96/52/03/1290965203.db2.gz PQZOBSFPYIESNO-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001186489171 1290965245 /nfs/dbraw/zinc/96/52/45/1290965245.db2.gz XBJNVTDQKBOMNK-AEFFLSMTSA-N 1 3 349.906 2.860 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001186816885 1291021780 /nfs/dbraw/zinc/02/17/80/1291021780.db2.gz IFWUDJWUPKAMKG-DZGCQCFKSA-N 1 3 339.430 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001186816885 1291021791 /nfs/dbraw/zinc/02/17/91/1291021791.db2.gz IFWUDJWUPKAMKG-DZGCQCFKSA-N 1 3 339.430 2.558 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001186824966 1291024030 /nfs/dbraw/zinc/02/40/30/1291024030.db2.gz SONQFYFQEWHCNV-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001186824966 1291024037 /nfs/dbraw/zinc/02/40/37/1291024037.db2.gz SONQFYFQEWHCNV-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876963630 1291087388 /nfs/dbraw/zinc/08/73/88/1291087388.db2.gz GHXCLSNXUGXLTL-INIZCTEOSA-N 1 3 325.497 2.567 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC001166736730 1312832133 /nfs/dbraw/zinc/83/21/33/1312832133.db2.gz SEEFAHQMXBEWEH-SFHVURJKSA-N 1 3 331.504 2.966 20 0 EFADHO Cn1c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc2ccccc21 ZINC000877030310 1291110247 /nfs/dbraw/zinc/11/02/47/1291110247.db2.gz AWLYQSZQNXDGOF-LJQANCHMSA-N 1 3 327.472 2.911 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c(C)s1 ZINC001166744056 1312832578 /nfs/dbraw/zinc/83/25/78/1312832578.db2.gz FZNSHKOYOGDVSM-UHFFFAOYSA-N 1 3 337.533 2.693 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000877059238 1291120730 /nfs/dbraw/zinc/12/07/30/1291120730.db2.gz LCZGKHJJGWIRGL-GVDBMIGSSA-N 1 3 335.492 2.500 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cc(F)ccc1F)CC(C)(C)C ZINC001166744388 1312833522 /nfs/dbraw/zinc/83/35/22/1312833522.db2.gz UMTAIQMKWLNIBS-UHFFFAOYSA-N 1 3 341.446 2.539 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001166744154 1312833549 /nfs/dbraw/zinc/83/35/49/1312833549.db2.gz KHSBDKHDDUIGQW-UHFFFAOYSA-N 1 3 325.522 2.630 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001187276905 1291135578 /nfs/dbraw/zinc/13/55/78/1291135578.db2.gz VTMHCVLLCPOIJL-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001187276905 1291135581 /nfs/dbraw/zinc/13/55/81/1291135581.db2.gz VTMHCVLLCPOIJL-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130346 1291139405 /nfs/dbraw/zinc/13/94/05/1291139405.db2.gz LDMDFZRMNUYOAQ-NHYWBVRUSA-N 1 3 343.393 2.565 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000877129880 1291139533 /nfs/dbraw/zinc/13/95/33/1291139533.db2.gz GHBYVUHDEGBXED-GJZGRUSLSA-N 1 3 343.393 2.552 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000877200631 1291163691 /nfs/dbraw/zinc/16/36/91/1291163691.db2.gz NLYPCCWJBWYBFI-IBGZPJMESA-N 1 3 329.488 2.848 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2cccc(Cl)c2)C1 ZINC001166764586 1312838248 /nfs/dbraw/zinc/83/82/48/1312838248.db2.gz GKVWWMLCBRZERF-UHFFFAOYSA-N 1 3 337.895 2.668 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3Cc4ccccc4CN3)cc21 ZINC000877339578 1291199239 /nfs/dbraw/zinc/19/92/39/1291199239.db2.gz COCNKFMKMMGVEA-ICSRJNTNSA-N 1 3 349.478 2.510 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001188139846 1291316922 /nfs/dbraw/zinc/31/69/22/1291316922.db2.gz SJDSTYPALKWJQR-DZGCQCFKSA-N 1 3 339.430 2.557 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001188158290 1291333242 /nfs/dbraw/zinc/33/32/42/1291333242.db2.gz KGAALTMMLREAJZ-KOTDBNOLSA-N 1 3 329.488 2.621 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001188158497 1291333438 /nfs/dbraw/zinc/33/34/38/1291333438.db2.gz QLQBEYLQWKLIOZ-AEFFLSMTSA-N 1 3 349.906 2.858 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001188158528 1291333833 /nfs/dbraw/zinc/33/38/33/1291333833.db2.gz RZXAAHUWCCFPQH-RDTXWAMCSA-N 1 3 349.906 2.858 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001188158315 1291333883 /nfs/dbraw/zinc/33/38/83/1291333883.db2.gz KWRLQUJZVKMSQD-OXJNMPFZSA-N 1 3 343.515 2.767 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001166852201 1312853689 /nfs/dbraw/zinc/85/36/89/1312853689.db2.gz NNTRBBCZKINKHA-HNNXBMFYSA-N 1 3 345.409 2.642 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1Cl)N(C)C ZINC001166851789 1312853906 /nfs/dbraw/zinc/85/39/06/1312853906.db2.gz HISAEVXZRSBKJI-HNNXBMFYSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001166851536 1312853964 /nfs/dbraw/zinc/85/39/64/1312853964.db2.gz CLHLWNMEIZVDTH-BBRMVZONSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001166857308 1312854793 /nfs/dbraw/zinc/85/47/93/1312854793.db2.gz CDPQPLMPGNNCFX-MSOLQXFVSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001166866005 1312856587 /nfs/dbraw/zinc/85/65/87/1312856587.db2.gz LFBJMZHMSAOXFK-HNNXBMFYSA-N 1 3 346.302 2.930 20 0 EFADHO Cc1cc(C[NH2+][C@@]23CC[C@@](Nc4cncn4C)(C2)CCC3)n(C)n1 ZINC001277769614 1312868044 /nfs/dbraw/zinc/86/80/44/1312868044.db2.gz LINKBIFPSKYXHJ-ZWKOTPCHSA-N 1 3 328.464 2.509 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001189391538 1291696567 /nfs/dbraw/zinc/69/65/67/1291696567.db2.gz ZKEHKBXWWBHROB-UXHICEINSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001189391538 1291696578 /nfs/dbraw/zinc/69/65/78/1291696578.db2.gz ZKEHKBXWWBHROB-UXHICEINSA-N 1 3 343.515 2.555 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957516744 1291698215 /nfs/dbraw/zinc/69/82/15/1291698215.db2.gz BBMUZFLSFHAJKX-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559340 1291765163 /nfs/dbraw/zinc/76/51/63/1291765163.db2.gz GIXYOVBBMXIRMK-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561641 1291768314 /nfs/dbraw/zinc/76/83/14/1291768314.db2.gz YPKMILJUUNJBSG-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)C1CCC1 ZINC000957560934 1291768434 /nfs/dbraw/zinc/76/84/34/1291768434.db2.gz AQMKUCYIACDOMO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)C1CCC1 ZINC000957561214 1291768695 /nfs/dbraw/zinc/76/86/95/1291768695.db2.gz KMDXVJULAOPUMV-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016611227 1312881120 /nfs/dbraw/zinc/88/11/20/1312881120.db2.gz CNZSULZOYHROHJ-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001137138076 1291807588 /nfs/dbraw/zinc/80/75/88/1291807588.db2.gz NWXCXGKQCFTZEG-RBUKOAKNSA-N 1 3 331.504 2.684 20 0 EFADHO CC(C)Oc1ccccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001137138076 1291807600 /nfs/dbraw/zinc/80/76/00/1291807600.db2.gz NWXCXGKQCFTZEG-RBUKOAKNSA-N 1 3 331.504 2.684 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2)N(C)C ZINC000957598624 1291845838 /nfs/dbraw/zinc/84/58/38/1291845838.db2.gz DIUTVXKYANBUHS-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(CC2)CC[NH+](CC2CC2)CC3)C1 ZINC000957602827 1291853747 /nfs/dbraw/zinc/85/37/47/1291853747.db2.gz GYKUDYHCVIADOZ-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2 ZINC000957603338 1291855334 /nfs/dbraw/zinc/85/53/34/1291855334.db2.gz QILGZMKHONEHQZ-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957606000 1291859979 /nfs/dbraw/zinc/85/99/79/1291859979.db2.gz UIIZQNZNOBJPJC-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC2)CC[NH+](CCC2CC2)CC3)C1 ZINC000957606098 1291861639 /nfs/dbraw/zinc/86/16/39/1291861639.db2.gz ZFLJJPTWFXFLIJ-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCC1 ZINC001016620091 1312885556 /nfs/dbraw/zinc/88/55/56/1312885556.db2.gz GYSOUZNPVQEVGT-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)N1CCCCC1 ZINC001016620479 1312886004 /nfs/dbraw/zinc/88/60/04/1312886004.db2.gz KDONHMZQGQNIJK-MRXNPFEDSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167035202 1312886201 /nfs/dbraw/zinc/88/62/01/1312886201.db2.gz BGRXTXNUAKAPPI-QGZVFWFLSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957626022 1291911954 /nfs/dbraw/zinc/91/19/54/1291911954.db2.gz FDAMGQRCLBIJNS-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644658 1291953072 /nfs/dbraw/zinc/95/30/72/1291953072.db2.gz BQENUZOIGCSUPU-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248113 1292040428 /nfs/dbraw/zinc/04/04/28/1292040428.db2.gz ISACGVSEVLCWIT-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248053 1292041614 /nfs/dbraw/zinc/04/16/14/1292041614.db2.gz ZUUFHGWIEDVTGE-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248399 1292041792 /nfs/dbraw/zinc/04/17/92/1292041792.db2.gz MKIVVQTXPMPBQC-QGZVFWFLSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001190237958 1292075344 /nfs/dbraw/zinc/07/53/44/1292075344.db2.gz GAAYHAVQAHBKHN-PBWLWGFTSA-N 1 3 341.499 2.573 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001190237958 1292075353 /nfs/dbraw/zinc/07/53/53/1292075353.db2.gz GAAYHAVQAHBKHN-PBWLWGFTSA-N 1 3 341.499 2.573 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001190445570 1292165230 /nfs/dbraw/zinc/16/52/30/1292165230.db2.gz YVGXVMNCUBSQIC-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001190445570 1292165235 /nfs/dbraw/zinc/16/52/35/1292165235.db2.gz YVGXVMNCUBSQIC-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753344 1292193844 /nfs/dbraw/zinc/19/38/44/1292193844.db2.gz KINGQRRUMTXMEL-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753344 1292193852 /nfs/dbraw/zinc/19/38/52/1292193852.db2.gz KINGQRRUMTXMEL-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000957759902 1292199998 /nfs/dbraw/zinc/19/99/98/1292199998.db2.gz HNUAOVKEFPLVJJ-UHFFFAOYSA-N 1 3 346.500 2.774 20 0 EFADHO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000957759902 1292200003 /nfs/dbraw/zinc/20/00/03/1292200003.db2.gz HNUAOVKEFPLVJJ-UHFFFAOYSA-N 1 3 346.500 2.774 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000957762007 1292207114 /nfs/dbraw/zinc/20/71/14/1292207114.db2.gz WAAMQLSHJDHTCZ-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000957762007 1292207122 /nfs/dbraw/zinc/20/71/22/1292207122.db2.gz WAAMQLSHJDHTCZ-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1CN1CCCCC1 ZINC000775398588 1292241668 /nfs/dbraw/zinc/24/16/68/1292241668.db2.gz AVMPOSBNWDKSKB-HUUCEWRRSA-N 1 3 333.476 2.596 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCCCC(F)(F)F)C2)CCC1 ZINC001190644890 1292260875 /nfs/dbraw/zinc/26/08/75/1292260875.db2.gz ODIGNYHREZUKPI-AWEZNQCLSA-N 1 3 349.441 2.736 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C2)CCC1 ZINC001190644890 1292260881 /nfs/dbraw/zinc/26/08/81/1292260881.db2.gz ODIGNYHREZUKPI-AWEZNQCLSA-N 1 3 349.441 2.736 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCCC3CCCC3)C2)CCC1 ZINC001190644482 1292261857 /nfs/dbraw/zinc/26/18/57/1292261857.db2.gz IQXFSPOBTVDSAX-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCCC3CCCC3)C2)CCC1 ZINC001190644482 1292261865 /nfs/dbraw/zinc/26/18/65/1292261865.db2.gz IQXFSPOBTVDSAX-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CCC1 ZINC001190674493 1292280802 /nfs/dbraw/zinc/28/08/02/1292280802.db2.gz BDURRWQCZWCIRJ-HNNXBMFYSA-N 1 3 349.441 2.736 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CCC1 ZINC001190674493 1292280811 /nfs/dbraw/zinc/28/08/11/1292280811.db2.gz BDURRWQCZWCIRJ-HNNXBMFYSA-N 1 3 349.441 2.736 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)CC(C)(C)C ZINC001203426633 1312921998 /nfs/dbraw/zinc/92/19/98/1312921998.db2.gz NWPAGDXLOXWLTA-SJORKVTESA-N 1 3 335.536 2.781 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191019428 1292430214 /nfs/dbraw/zinc/43/02/14/1292430214.db2.gz MDAIVHSZPYMXPO-QGZVFWFLSA-N 1 3 335.467 2.589 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191019428 1292430217 /nfs/dbraw/zinc/43/02/17/1292430217.db2.gz MDAIVHSZPYMXPO-QGZVFWFLSA-N 1 3 335.467 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001191030153 1292433347 /nfs/dbraw/zinc/43/33/47/1292433347.db2.gz QLSSKYYHETYTKR-PKOBYXMFSA-N 1 3 343.515 2.937 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001191030153 1292433349 /nfs/dbraw/zinc/43/33/49/1292433349.db2.gz QLSSKYYHETYTKR-PKOBYXMFSA-N 1 3 343.515 2.937 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001190996887 1292435820 /nfs/dbraw/zinc/43/58/20/1292435820.db2.gz MNTPQCMUAPBSDI-LJQANCHMSA-N 1 3 345.531 2.882 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001190996887 1292435825 /nfs/dbraw/zinc/43/58/25/1292435825.db2.gz MNTPQCMUAPBSDI-LJQANCHMSA-N 1 3 345.531 2.882 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2ccc(C)cc2)CC1 ZINC001203455990 1312929154 /nfs/dbraw/zinc/92/91/54/1312929154.db2.gz NDGPDKCFIYUCJP-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203520725 1312944715 /nfs/dbraw/zinc/94/47/15/1312944715.db2.gz HMYRPVXWVDJXJV-IAGOWNOFSA-N 1 3 349.544 2.649 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203520346 1312944834 /nfs/dbraw/zinc/94/48/34/1312944834.db2.gz FNGGFZKIUQGZEO-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203524544 1312946424 /nfs/dbraw/zinc/94/64/24/1312946424.db2.gz WRRYWJXKKHVNBY-HZPDHXFCSA-N 1 3 335.517 2.607 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046675 1292744752 /nfs/dbraw/zinc/74/47/52/1292744752.db2.gz OHQWYCJLWXUCDB-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3c[nH]c4ccc(Cl)cc34)[C@@H]2C1 ZINC001276320534 1292744780 /nfs/dbraw/zinc/74/47/80/1292744780.db2.gz PZKRZUOPZXSPNL-IFXJQAMLSA-N 1 3 346.906 2.889 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3c[nH]c4ccc(Cl)cc34)[C@@H]2C1 ZINC001276320534 1292744786 /nfs/dbraw/zinc/74/47/86/1292744786.db2.gz PZKRZUOPZXSPNL-IFXJQAMLSA-N 1 3 346.906 2.889 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203520720 1312944641 /nfs/dbraw/zinc/94/46/41/1312944641.db2.gz HLXVIWBDXZOMQA-QWHCGFSZSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192027970 1292753764 /nfs/dbraw/zinc/75/37/64/1292753764.db2.gz BTSUOJXSRQLZBQ-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192038409 1292757563 /nfs/dbraw/zinc/75/75/63/1292757563.db2.gz PSDVAGUYUOUFIA-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133475 1292787431 /nfs/dbraw/zinc/78/74/31/1292787431.db2.gz BKKFWKYFLULISB-AQDCRGGLSA-N 1 3 341.499 2.574 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152411 1292794256 /nfs/dbraw/zinc/79/42/56/1292794256.db2.gz HBFYNWJZTJXHGO-HIFRSBDPSA-N 1 3 339.430 2.510 20 0 EFADHO CN(Cc1cc2ccccc2s1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170380 1292805407 /nfs/dbraw/zinc/80/54/07/1292805407.db2.gz KNBAFFISSXCPBN-INIZCTEOSA-N 1 3 345.512 2.886 20 0 EFADHO O=c1[nH]cccc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001276328168 1292814720 /nfs/dbraw/zinc/81/47/20/1292814720.db2.gz JTKKTHUXXSRKBA-RBUKOAKNSA-N 1 3 326.444 2.840 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001276332248 1292824335 /nfs/dbraw/zinc/82/43/35/1292824335.db2.gz DBVUQJLBUZFDSO-INIZCTEOSA-N 1 3 343.874 2.757 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001114841347 1292829115 /nfs/dbraw/zinc/82/91/15/1292829115.db2.gz UNCKMFPVHWKCNG-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001114841347 1292829127 /nfs/dbraw/zinc/82/91/27/1292829127.db2.gz UNCKMFPVHWKCNG-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576678 1312961008 /nfs/dbraw/zinc/96/10/08/1312961008.db2.gz HOGYSZVPKWUCIJ-QWHCGFSZSA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576678 1312961010 /nfs/dbraw/zinc/96/10/10/1312961010.db2.gz HOGYSZVPKWUCIJ-QWHCGFSZSA-N 1 3 348.318 2.664 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)N1CCCC1 ZINC001016761337 1312964249 /nfs/dbraw/zinc/96/42/49/1312964249.db2.gz JHRZTVBJPBAKJP-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016762336 1312964939 /nfs/dbraw/zinc/96/49/39/1312964939.db2.gz ZFWJIHFEXVEHBB-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001114848575 1292997695 /nfs/dbraw/zinc/99/76/95/1292997695.db2.gz CCMLTUNGWRYLQU-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21)CC(C)(C)C ZINC001114848575 1292997703 /nfs/dbraw/zinc/99/77/03/1292997703.db2.gz CCMLTUNGWRYLQU-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001192947024 1293107345 /nfs/dbraw/zinc/10/73/45/1293107345.db2.gz GKQHLFLWXBGFLB-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001192947024 1293107348 /nfs/dbraw/zinc/10/73/48/1293107348.db2.gz GKQHLFLWXBGFLB-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001192948209 1293108004 /nfs/dbraw/zinc/10/80/04/1293108004.db2.gz QKWGZNJOWAUAMG-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001192948209 1293108012 /nfs/dbraw/zinc/10/80/12/1293108012.db2.gz QKWGZNJOWAUAMG-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049535245 1312977362 /nfs/dbraw/zinc/97/73/62/1312977362.db2.gz ZJKOHXDQBOGSQJ-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049535245 1312977367 /nfs/dbraw/zinc/97/73/67/1312977367.db2.gz ZJKOHXDQBOGSQJ-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192948976 1293110049 /nfs/dbraw/zinc/11/00/49/1293110049.db2.gz ZLJUTJHJVCAPDQ-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192948976 1293110052 /nfs/dbraw/zinc/11/00/52/1293110052.db2.gz ZLJUTJHJVCAPDQ-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203640531 1312978024 /nfs/dbraw/zinc/97/80/24/1312978024.db2.gz DCRVWGVVRCEJST-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(C)c2)C1 ZINC001192970735 1293127304 /nfs/dbraw/zinc/12/73/04/1293127304.db2.gz YKTDPQZAAAKZFZ-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(C)c2)C1 ZINC001192970735 1293127308 /nfs/dbraw/zinc/12/73/08/1293127308.db2.gz YKTDPQZAAAKZFZ-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001192969657 1293127807 /nfs/dbraw/zinc/12/78/07/1293127807.db2.gz LYXUYDAGNLDOKI-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001192969657 1293127810 /nfs/dbraw/zinc/12/78/10/1293127810.db2.gz LYXUYDAGNLDOKI-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203642298 1312979004 /nfs/dbraw/zinc/97/90/04/1312979004.db2.gz XZSHZHLMSCZNGN-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028770 1293147082 /nfs/dbraw/zinc/14/70/82/1293147082.db2.gz WQUSZHVIAOTMSS-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028770 1293147084 /nfs/dbraw/zinc/14/70/84/1293147084.db2.gz WQUSZHVIAOTMSS-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203649354 1312980377 /nfs/dbraw/zinc/98/03/77/1312980377.db2.gz ASYXHJOMBCCQBX-QZTJIDSGSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203649352 1312980398 /nfs/dbraw/zinc/98/03/98/1312980398.db2.gz ASYXHJOMBCCQBX-MSOLQXFVSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203652083 1312981857 /nfs/dbraw/zinc/98/18/57/1312981857.db2.gz RJBLONHXWHJOLM-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203652112 1312982072 /nfs/dbraw/zinc/98/20/72/1312982072.db2.gz RSBSODSCLYFMPK-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203662041 1312984350 /nfs/dbraw/zinc/98/43/50/1312984350.db2.gz XMGFJCGXPWEBCX-SJORKVTESA-N 1 3 332.492 2.714 20 0 EFADHO CC1([NH+]2CCC2)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000882502528 1293227745 /nfs/dbraw/zinc/22/77/45/1293227745.db2.gz KXNAVSYSSBHJCG-LJQANCHMSA-N 1 3 341.499 2.738 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193278707 1293230698 /nfs/dbraw/zinc/23/06/98/1293230698.db2.gz JPTZHDAVMZYNPG-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193278707 1293230704 /nfs/dbraw/zinc/23/07/04/1293230704.db2.gz JPTZHDAVMZYNPG-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC001193279271 1293232877 /nfs/dbraw/zinc/23/28/77/1293232877.db2.gz NOEUOHQWMINVEJ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(C)sc2C)C1 ZINC001193279271 1293232887 /nfs/dbraw/zinc/23/28/87/1293232887.db2.gz NOEUOHQWMINVEJ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193291974 1293237567 /nfs/dbraw/zinc/23/75/67/1293237567.db2.gz KTLYJPXVVPDFFU-BLRBJFNZSA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193291974 1293237574 /nfs/dbraw/zinc/23/75/74/1293237574.db2.gz KTLYJPXVVPDFFU-BLRBJFNZSA-N 1 3 329.488 2.574 20 0 EFADHO CCc1ccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)nc1 ZINC000882722016 1293296092 /nfs/dbraw/zinc/29/60/92/1293296092.db2.gz ZXSVXRQUIQCHIU-UHFFFAOYSA-N 1 3 344.503 2.779 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1F ZINC001193560833 1293361602 /nfs/dbraw/zinc/36/16/02/1293361602.db2.gz VMOPJEARODNPKS-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193609789 1293363227 /nfs/dbraw/zinc/36/32/27/1293363227.db2.gz IYSRQTGLUIIUCF-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193609789 1293363234 /nfs/dbraw/zinc/36/32/34/1293363234.db2.gz IYSRQTGLUIIUCF-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193609788 1293364256 /nfs/dbraw/zinc/36/42/56/1293364256.db2.gz IYSRQTGLUIIUCF-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001193609788 1293364259 /nfs/dbraw/zinc/36/42/59/1293364259.db2.gz IYSRQTGLUIIUCF-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819022 1312996262 /nfs/dbraw/zinc/99/62/62/1312996262.db2.gz INIFXWWRJODIDP-DNVCBOLYSA-N 1 3 339.499 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001193621219 1293368646 /nfs/dbraw/zinc/36/86/46/1293368646.db2.gz DWKOQLAOUSKSGY-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001193621219 1293368655 /nfs/dbraw/zinc/36/86/55/1293368655.db2.gz DWKOQLAOUSKSGY-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193622004 1293370437 /nfs/dbraw/zinc/37/04/37/1293370437.db2.gz KWWYVSVSBADVTH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193622004 1293370445 /nfs/dbraw/zinc/37/04/45/1293370445.db2.gz KWWYVSVSBADVTH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000130434441 1293374633 /nfs/dbraw/zinc/37/46/33/1293374633.db2.gz ATDUGXILEVULLE-QGZVFWFLSA-N 1 3 346.475 2.567 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001096544804 1312997376 /nfs/dbraw/zinc/99/73/76/1312997376.db2.gz NUCXGMKZXOSWMI-BGTYHANMSA-N 1 3 347.528 2.538 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001193642082 1293381610 /nfs/dbraw/zinc/38/16/10/1293381610.db2.gz LSHKBBYKGWPGFC-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001193642082 1293381619 /nfs/dbraw/zinc/38/16/19/1293381619.db2.gz LSHKBBYKGWPGFC-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001096544804 1312997379 /nfs/dbraw/zinc/99/73/79/1312997379.db2.gz NUCXGMKZXOSWMI-BGTYHANMSA-N 1 3 347.528 2.538 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193642350 1293383060 /nfs/dbraw/zinc/38/30/60/1293383060.db2.gz MQPQZKAPVIOZKA-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001193642350 1293383066 /nfs/dbraw/zinc/38/30/66/1293383066.db2.gz MQPQZKAPVIOZKA-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(C)c2)C1 ZINC001193643092 1293384736 /nfs/dbraw/zinc/38/47/36/1293384736.db2.gz RFXRYPIFAHQQDV-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(C)c2)C1 ZINC001193643092 1293384747 /nfs/dbraw/zinc/38/47/47/1293384747.db2.gz RFXRYPIFAHQQDV-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001193600807 1293388736 /nfs/dbraw/zinc/38/87/36/1293388736.db2.gz MCSKTCRXFOLHLJ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001193600807 1293388746 /nfs/dbraw/zinc/38/87/46/1293388746.db2.gz MCSKTCRXFOLHLJ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001016825266 1312999250 /nfs/dbraw/zinc/99/92/50/1312999250.db2.gz GZVDIAYQKOBVBV-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001016826695 1312999524 /nfs/dbraw/zinc/99/95/24/1312999524.db2.gz RSQNNRGYXMAEOE-IEBWSBKVSA-N 1 3 345.531 2.799 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001016826697 1312999828 /nfs/dbraw/zinc/99/98/28/1312999828.db2.gz RSQNNRGYXMAEOE-PKOBYXMFSA-N 1 3 345.531 2.799 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3oc(=O)oc3c2)[C@@H](C)C1 ZINC000883003440 1293423756 /nfs/dbraw/zinc/42/37/56/1293423756.db2.gz PVRIDWHKZBWDQP-HOCLYGCPSA-N 1 3 348.443 2.613 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828431 1313000602 /nfs/dbraw/zinc/00/06/02/1313000602.db2.gz FFJUXGYGUNROOG-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001016829230 1313000960 /nfs/dbraw/zinc/00/09/60/1313000960.db2.gz LPPNWLSSDQWGIY-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016830840 1313001441 /nfs/dbraw/zinc/00/14/41/1313001441.db2.gz WRBLPNKRKIYGLD-IEBWSBKVSA-N 1 3 345.531 2.942 20 0 EFADHO Cc1cc(C)c(C[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)c(C)c1 ZINC001203746281 1313004961 /nfs/dbraw/zinc/00/49/61/1313004961.db2.gz OOADRQNYMRFYNN-UHFFFAOYSA-N 1 3 343.515 2.774 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001194041319 1293510273 /nfs/dbraw/zinc/51/02/73/1293510273.db2.gz XGCRTMUCJBVOIU-FQEVSTJZSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CCC[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001194041319 1293510275 /nfs/dbraw/zinc/51/02/75/1293510275.db2.gz XGCRTMUCJBVOIU-FQEVSTJZSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)cs1 ZINC001194229109 1293548186 /nfs/dbraw/zinc/54/81/86/1293548186.db2.gz VKMGYKLKENLFMT-GOSISDBHSA-N 1 3 349.544 2.965 20 0 EFADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246768 1293569878 /nfs/dbraw/zinc/56/98/78/1293569878.db2.gz RLPBOYAOALMUFQ-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246768 1293569881 /nfs/dbraw/zinc/56/98/81/1293569881.db2.gz RLPBOYAOALMUFQ-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001194286247 1293588144 /nfs/dbraw/zinc/58/81/44/1293588144.db2.gz XQFFBAPJFBRRJJ-QGZVFWFLSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001194286247 1293588151 /nfs/dbraw/zinc/58/81/51/1293588151.db2.gz XQFFBAPJFBRRJJ-QGZVFWFLSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC001194285444 1293588762 /nfs/dbraw/zinc/58/87/62/1293588762.db2.gz RQRDNCKYBHQWOV-QGZVFWFLSA-N 1 3 343.471 2.806 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC001194285444 1293588767 /nfs/dbraw/zinc/58/87/67/1293588767.db2.gz RQRDNCKYBHQWOV-QGZVFWFLSA-N 1 3 343.471 2.806 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC001194285443 1293588832 /nfs/dbraw/zinc/58/88/32/1293588832.db2.gz RQRDNCKYBHQWOV-KRWDZBQOSA-N 1 3 343.471 2.806 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC001194285443 1293588837 /nfs/dbraw/zinc/58/88/37/1293588837.db2.gz RQRDNCKYBHQWOV-KRWDZBQOSA-N 1 3 343.471 2.806 20 0 EFADHO COc1cccc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292714 1293590126 /nfs/dbraw/zinc/59/01/26/1293590126.db2.gz BUIAMIIOALVWAO-AEFFLSMTSA-N 1 3 347.503 2.629 20 0 EFADHO COc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194292714 1293590128 /nfs/dbraw/zinc/59/01/28/1293590128.db2.gz BUIAMIIOALVWAO-AEFFLSMTSA-N 1 3 347.503 2.629 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001194293095 1293590626 /nfs/dbraw/zinc/59/06/26/1293590626.db2.gz FEAKYHSNDWQIGK-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001194293095 1293590632 /nfs/dbraw/zinc/59/06/32/1293590632.db2.gz FEAKYHSNDWQIGK-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194294102 1293591513 /nfs/dbraw/zinc/59/15/13/1293591513.db2.gz JTZDPSQTEFHZRO-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194294102 1293591519 /nfs/dbraw/zinc/59/15/19/1293591519.db2.gz JTZDPSQTEFHZRO-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001194293821 1293592479 /nfs/dbraw/zinc/59/24/79/1293592479.db2.gz JMSMAKZQLPOVSW-HNAYVOBHSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001194293821 1293592485 /nfs/dbraw/zinc/59/24/85/1293592485.db2.gz JMSMAKZQLPOVSW-HNAYVOBHSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001194294230 1293592884 /nfs/dbraw/zinc/59/28/84/1293592884.db2.gz LBZLUCWBGXICSM-PKOBYXMFSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001194294230 1293592885 /nfs/dbraw/zinc/59/28/85/1293592885.db2.gz LBZLUCWBGXICSM-PKOBYXMFSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001194296135 1293593505 /nfs/dbraw/zinc/59/35/05/1293593505.db2.gz WVWUJXQBXPSNAD-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001194296135 1293593509 /nfs/dbraw/zinc/59/35/09/1293593509.db2.gz WVWUJXQBXPSNAD-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001194296018 1293593779 /nfs/dbraw/zinc/59/37/79/1293593779.db2.gz UOWCBLJHQITWJW-CRLZUZNUSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001194296018 1293593783 /nfs/dbraw/zinc/59/37/83/1293593783.db2.gz UOWCBLJHQITWJW-CRLZUZNUSA-N 1 3 343.515 2.963 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001194296040 1293594075 /nfs/dbraw/zinc/59/40/75/1293594075.db2.gz UYHZQZRRMQAEGU-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001194296040 1293594081 /nfs/dbraw/zinc/59/40/81/1293594081.db2.gz UYHZQZRRMQAEGU-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCCC1 ZINC001016859642 1313014653 /nfs/dbraw/zinc/01/46/53/1313014653.db2.gz BUCMABLSFKDTCE-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001276421076 1313018710 /nfs/dbraw/zinc/01/87/10/1313018710.db2.gz SXQVRRFEKBHGFR-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001276421076 1313018713 /nfs/dbraw/zinc/01/87/13/1313018713.db2.gz SXQVRRFEKBHGFR-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(C)n1 ZINC001276420504 1313015152 /nfs/dbraw/zinc/01/51/52/1313015152.db2.gz IPSHVUKHMVXOJB-UXHICEINSA-N 1 3 330.520 2.785 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)N1CCCCCC1 ZINC001016861032 1313015664 /nfs/dbraw/zinc/01/56/64/1313015664.db2.gz MTDWACCGZQFGEI-IAGOWNOFSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862381 1313016259 /nfs/dbraw/zinc/01/62/59/1313016259.db2.gz XQPLNPFXIPMIOO-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203791088 1313016444 /nfs/dbraw/zinc/01/64/44/1313016444.db2.gz CIIASOFHPZQKSZ-IAGOWNOFSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)cs1 ZINC001203793771 1313017480 /nfs/dbraw/zinc/01/74/80/1313017480.db2.gz UDRMJPPEUSFROX-IAGOWNOFSA-N 1 3 349.544 2.914 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203794765 1313017535 /nfs/dbraw/zinc/01/75/35/1313017535.db2.gz YGFUFHSKCIMNJS-QZTJIDSGSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627551 1293775021 /nfs/dbraw/zinc/77/50/21/1293775021.db2.gz NOLSUAAIOWPUMN-OAHLLOKOSA-N 1 3 342.487 2.761 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203853546 1313032324 /nfs/dbraw/zinc/03/23/24/1313032324.db2.gz SSTNZXCOTHDRKS-XCHGUWHBSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203853546 1313032326 /nfs/dbraw/zinc/03/23/26/1313032326.db2.gz SSTNZXCOTHDRKS-XCHGUWHBSA-N 1 3 348.318 2.759 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CCN2C/C=C/Cl ZINC001049573820 1313036637 /nfs/dbraw/zinc/03/66/37/1313036637.db2.gz WXCJVXVBGGKCCU-IZYLRLOCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]2[C@H]1CCN2C/C=C/Cl ZINC001049573820 1313036640 /nfs/dbraw/zinc/03/66/40/1313036640.db2.gz WXCJVXVBGGKCCU-IZYLRLOCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C/Cl ZINC001049573820 1313036644 /nfs/dbraw/zinc/03/66/44/1313036644.db2.gz WXCJVXVBGGKCCU-IZYLRLOCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C/Cl ZINC001049573820 1313036648 /nfs/dbraw/zinc/03/66/48/1313036648.db2.gz WXCJVXVBGGKCCU-IZYLRLOCSA-N 1 3 344.846 2.766 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000884217639 1294052741 /nfs/dbraw/zinc/05/27/41/1294052741.db2.gz SLSLWABGTFXKQA-TZIWHRDSSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000884217639 1294052745 /nfs/dbraw/zinc/05/27/45/1294052745.db2.gz SLSLWABGTFXKQA-TZIWHRDSSA-N 1 3 341.499 2.629 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865580 1294064222 /nfs/dbraw/zinc/06/42/22/1294064222.db2.gz LXUUDAYTONNMQY-QZTJIDSGSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865580 1294064228 /nfs/dbraw/zinc/06/42/28/1294064228.db2.gz LXUUDAYTONNMQY-QZTJIDSGSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001203932494 1313050757 /nfs/dbraw/zinc/05/07/57/1313050757.db2.gz HLMLGKZAEUREPV-OAHLLOKOSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203932248 1313049591 /nfs/dbraw/zinc/04/95/91/1313049591.db2.gz ATXSHZSRONCSJC-QGZVFWFLSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000884324797 1294098459 /nfs/dbraw/zinc/09/84/59/1294098459.db2.gz ACRSPEQHQUMEKL-YJBOKZPZSA-N 1 3 346.519 2.733 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024240 1294108962 /nfs/dbraw/zinc/10/89/62/1294108962.db2.gz GMMOOICBANUEPP-BLGFXRMMSA-N 1 3 341.515 2.947 20 0 EFADHO CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024240 1294108963 /nfs/dbraw/zinc/10/89/63/1294108963.db2.gz GMMOOICBANUEPP-BLGFXRMMSA-N 1 3 341.515 2.947 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196024947 1294109126 /nfs/dbraw/zinc/10/91/26/1294109126.db2.gz LNQGNIADQODLDK-KRWDZBQOSA-N 1 3 329.504 2.637 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001196024947 1294109127 /nfs/dbraw/zinc/10/91/27/1294109127.db2.gz LNQGNIADQODLDK-KRWDZBQOSA-N 1 3 329.504 2.637 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196060206 1294114235 /nfs/dbraw/zinc/11/42/35/1294114235.db2.gz ORDSWQDYYAZLTB-QGZVFWFLSA-N 1 3 327.488 2.535 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196060206 1294114240 /nfs/dbraw/zinc/11/42/40/1294114240.db2.gz ORDSWQDYYAZLTB-QGZVFWFLSA-N 1 3 327.488 2.535 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001196033256 1294117183 /nfs/dbraw/zinc/11/71/83/1294117183.db2.gz MLJCOCWXEVQPTR-KRWDZBQOSA-N 1 3 341.515 2.637 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001196033256 1294117187 /nfs/dbraw/zinc/11/71/87/1294117187.db2.gz MLJCOCWXEVQPTR-KRWDZBQOSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215578 1294167431 /nfs/dbraw/zinc/16/74/31/1294167431.db2.gz OCTIENBJYFLOCH-MSOLQXFVSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215578 1294167434 /nfs/dbraw/zinc/16/74/34/1294167434.db2.gz OCTIENBJYFLOCH-MSOLQXFVSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001196276296 1294189810 /nfs/dbraw/zinc/18/98/10/1294189810.db2.gz XWZBCVUNUKVSGW-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001196276296 1294189812 /nfs/dbraw/zinc/18/98/12/1294189812.db2.gz XWZBCVUNUKVSGW-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388258 1294220301 /nfs/dbraw/zinc/22/03/01/1294220301.db2.gz GCLFZUJUBMWMFW-UEKDZROGSA-N 1 3 335.536 2.997 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388258 1294220306 /nfs/dbraw/zinc/22/03/06/1294220306.db2.gz GCLFZUJUBMWMFW-UEKDZROGSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C/CCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417309 1294240793 /nfs/dbraw/zinc/24/07/93/1294240793.db2.gz NTVVCKDYNJQXJP-SNAWJCMRSA-N 1 3 333.520 2.896 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1C ZINC001273721837 1294250711 /nfs/dbraw/zinc/25/07/11/1294250711.db2.gz SHDROLLTBXGWMF-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1C ZINC001273721837 1294250718 /nfs/dbraw/zinc/25/07/18/1294250718.db2.gz SHDROLLTBXGWMF-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO C[N@H+](CCC(=O)N1CCCN(CCCF)CC1)C1CCCCC1 ZINC001196641336 1294301540 /nfs/dbraw/zinc/30/15/40/1294301540.db2.gz ATNMUGHIYUKWEA-UHFFFAOYSA-N 1 3 327.488 2.535 20 0 EFADHO C[N@@H+](CCC(=O)N1CCCN(CCCF)CC1)C1CCCCC1 ZINC001196641336 1294301547 /nfs/dbraw/zinc/30/15/47/1294301547.db2.gz ATNMUGHIYUKWEA-UHFFFAOYSA-N 1 3 327.488 2.535 20 0 EFADHO COCC[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C)s3)C2)C1 ZINC001204032097 1313067883 /nfs/dbraw/zinc/06/78/83/1313067883.db2.gz OAIXIDXCHDOQSI-SFHVURJKSA-N 1 3 338.517 2.617 20 0 EFADHO COCC[N@H+]1CCOC[C@@]2(CCCN(Cc3ccc(C)s3)C2)C1 ZINC001204032097 1313067886 /nfs/dbraw/zinc/06/78/86/1313067886.db2.gz OAIXIDXCHDOQSI-SFHVURJKSA-N 1 3 338.517 2.617 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC23CC[NH+](CCCF)CC3)c1 ZINC001016981543 1313070881 /nfs/dbraw/zinc/07/08/81/1313070881.db2.gz DMNVCJGDGNVUHY-SFHVURJKSA-N 1 3 347.478 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC23CC[NH+](CC2CC2)CC3)c1 ZINC001016982557 1313071385 /nfs/dbraw/zinc/07/13/85/1313071385.db2.gz JGBXDIUAJQPBGX-IBGZPJMESA-N 1 3 341.499 2.743 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001196970402 1294413592 /nfs/dbraw/zinc/41/35/92/1294413592.db2.gz CHHIUCWENKPLHL-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196970652 1294413833 /nfs/dbraw/zinc/41/38/33/1294413833.db2.gz PEULXLASUQBGCY-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001196970773 1294414712 /nfs/dbraw/zinc/41/47/12/1294414712.db2.gz VYSCJDFTPCPAIR-UHFFFAOYSA-N 1 3 343.515 2.940 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963375 1294425160 /nfs/dbraw/zinc/42/51/60/1294425160.db2.gz QVGKIGLTYHGUOA-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CCCCC[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158479 1294471421 /nfs/dbraw/zinc/47/14/21/1294471421.db2.gz QPXWPBZCBJHBDF-IBGZPJMESA-N 1 3 341.515 2.923 20 0 EFADHO CCCCC[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158479 1294471423 /nfs/dbraw/zinc/47/14/23/1294471423.db2.gz QPXWPBZCBJHBDF-IBGZPJMESA-N 1 3 341.515 2.923 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN1C(C)C ZINC000958783426 1294481530 /nfs/dbraw/zinc/48/15/30/1294481530.db2.gz AMPGMPJHELTKSL-UXHICEINSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1)N(C)C ZINC000958790309 1294488073 /nfs/dbraw/zinc/48/80/73/1294488073.db2.gz BTFBNHZXDQBIOE-PMACEKPBSA-N 1 3 343.515 2.698 20 0 EFADHO CC[C@@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CCC1)N(C)C ZINC000958803211 1294504517 /nfs/dbraw/zinc/50/45/17/1294504517.db2.gz OWAZHTJJNIYVKK-VQTJNVASSA-N 1 3 343.515 2.842 20 0 EFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)cc3)C2)C1 ZINC001204092707 1313080214 /nfs/dbraw/zinc/08/02/14/1313080214.db2.gz UGRIOHPCHUCSHK-UYAOXDASSA-N 1 3 330.472 2.573 20 0 EFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)cc3)C2)C1 ZINC001204092707 1313080218 /nfs/dbraw/zinc/08/02/18/1313080218.db2.gz UGRIOHPCHUCSHK-UYAOXDASSA-N 1 3 330.472 2.573 20 0 EFADHO Cc1ncc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)s1 ZINC001276348868 1294520772 /nfs/dbraw/zinc/52/07/72/1294520772.db2.gz CFMSBRGIDALZEL-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)s1 ZINC001276348868 1294520778 /nfs/dbraw/zinc/52/07/78/1294520778.db2.gz CFMSBRGIDALZEL-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396873 1294530273 /nfs/dbraw/zinc/53/02/73/1294530273.db2.gz RUFLQRGGDSSTJR-QVOQXLMASA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396873 1294530274 /nfs/dbraw/zinc/53/02/74/1294530274.db2.gz RUFLQRGGDSSTJR-QVOQXLMASA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCCN(C2CCC2)C1 ZINC000886059522 1294652646 /nfs/dbraw/zinc/65/26/46/1294652646.db2.gz GUQMTZPVRNYODC-OKZBNKHCSA-N 1 3 336.520 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN([C@@H](C)c2cccc(C)c2)CC1 ZINC001197692698 1294672685 /nfs/dbraw/zinc/67/26/85/1294672685.db2.gz WIYCQPKFOUJVKP-SFHVURJKSA-N 1 3 331.504 2.932 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN([C@@H](C)c2cccc(C)c2)CC1 ZINC001197692698 1294672689 /nfs/dbraw/zinc/67/26/89/1294672689.db2.gz WIYCQPKFOUJVKP-SFHVURJKSA-N 1 3 331.504 2.932 20 0 EFADHO CCc1ccccc1CCN1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197707923 1294681337 /nfs/dbraw/zinc/68/13/37/1294681337.db2.gz REPSKTSOZPPORK-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO CCc1ccccc1CCN1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707923 1294681350 /nfs/dbraw/zinc/68/13/50/1294681350.db2.gz REPSKTSOZPPORK-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006401661 1294737261 /nfs/dbraw/zinc/73/72/61/1294737261.db2.gz UPMKMJADXKSSDC-RDJZCZTQSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006401661 1294737262 /nfs/dbraw/zinc/73/72/62/1294737262.db2.gz UPMKMJADXKSSDC-RDJZCZTQSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)c2ccccc2CN(C)C)cc1F ZINC001152382989 1294839498 /nfs/dbraw/zinc/83/94/98/1294839498.db2.gz AJUWXHKYKROVBW-UHFFFAOYSA-N 1 3 343.446 2.715 20 0 EFADHO CCC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345022 1313109155 /nfs/dbraw/zinc/10/91/55/1313109155.db2.gz FOTSCUPBDLZGAL-YSKLNCTFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)N1CCCC1 ZINC001049629697 1313109420 /nfs/dbraw/zinc/10/94/20/1313109420.db2.gz LLXUHJHKPPYQRR-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)N1CCCC1 ZINC001049629697 1313109422 /nfs/dbraw/zinc/10/94/22/1313109422.db2.gz LLXUHJHKPPYQRR-ZWKOTPCHSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001234346357 1313109458 /nfs/dbraw/zinc/10/94/58/1313109458.db2.gz TZSTZSGKGPFXOM-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N1CCCC1 ZINC001049630117 1313109459 /nfs/dbraw/zinc/10/94/59/1313109459.db2.gz NVVBOCKKLCCMLY-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CC[N@H+]1CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001234346357 1313109461 /nfs/dbraw/zinc/10/94/61/1313109461.db2.gz TZSTZSGKGPFXOM-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1)N1CCCC1 ZINC001049630117 1313109463 /nfs/dbraw/zinc/10/94/63/1313109463.db2.gz NVVBOCKKLCCMLY-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO O=C(c1ccccc1)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903717693 1313111201 /nfs/dbraw/zinc/11/12/01/1313111201.db2.gz DCCMMWGJCVSDKV-LJQANCHMSA-N 1 3 342.483 2.740 20 0 EFADHO CN(CCOc1ccccc1Cl)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718885 1313113054 /nfs/dbraw/zinc/11/30/54/1313113054.db2.gz SUKQWLGGWIBZBC-HNNXBMFYSA-N 1 3 338.879 2.809 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001152445197 1295005982 /nfs/dbraw/zinc/00/59/82/1295005982.db2.gz DBMVAJOFLIQXRS-INIZCTEOSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723014 1313119032 /nfs/dbraw/zinc/11/90/32/1313119032.db2.gz RYRXSSFLWMORBA-CTNGQTDRSA-N 1 3 342.483 2.658 20 0 EFADHO CC(C)N(C)CC(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC001152445816 1295008593 /nfs/dbraw/zinc/00/85/93/1295008593.db2.gz NZBZYWUUSNWTCT-UHFFFAOYSA-N 1 3 339.483 2.900 20 0 EFADHO c1ccc(CN(C[C@@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903726965 1313124348 /nfs/dbraw/zinc/12/43/48/1313124348.db2.gz PRKQTWWTLRZTNO-PMACEKPBSA-N 1 3 344.499 2.826 20 0 EFADHO CCC/C=C\CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234416280 1313124414 /nfs/dbraw/zinc/12/44/14/1313124414.db2.gz ZQPNFTUUEUDMMG-LZZOGUTLSA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C\CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234416280 1313124418 /nfs/dbraw/zinc/12/44/18/1313124418.db2.gz ZQPNFTUUEUDMMG-LZZOGUTLSA-N 1 3 335.536 2.996 20 0 EFADHO CC1(C)OC[C@@H](CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886648509 1295089545 /nfs/dbraw/zinc/08/95/45/1295089545.db2.gz WBWROEXUWLDZJL-IPMKNSEASA-N 1 3 330.472 2.592 20 0 EFADHO CC1(C)OC[C@@H](CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886648509 1295089558 /nfs/dbraw/zinc/08/95/58/1295089558.db2.gz WBWROEXUWLDZJL-IPMKNSEASA-N 1 3 330.472 2.592 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198752747 1295233745 /nfs/dbraw/zinc/23/37/45/1295233745.db2.gz URMRYLXEWXULIC-QZTJIDSGSA-N 1 3 347.503 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198752747 1295233754 /nfs/dbraw/zinc/23/37/54/1295233754.db2.gz URMRYLXEWXULIC-QZTJIDSGSA-N 1 3 347.503 2.725 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(C)C ZINC001198766635 1295240661 /nfs/dbraw/zinc/24/06/61/1295240661.db2.gz FDVFOAGBTQPEMC-MJGOQNOKSA-N 1 3 349.519 2.684 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](NCC)c2ccccc2OC)C1 ZINC001198856174 1295281588 /nfs/dbraw/zinc/28/15/88/1295281588.db2.gz GCHPIQDQTZMWQE-WMZOPIPTSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](NCC)c2ccccc2OC)C1 ZINC001198856174 1295281594 /nfs/dbraw/zinc/28/15/94/1295281594.db2.gz GCHPIQDQTZMWQE-WMZOPIPTSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)CCc1ccccc1 ZINC000887134097 1295287757 /nfs/dbraw/zinc/28/77/57/1295287757.db2.gz BYLNIFLTOZFQAB-FXAWDEMLSA-N 1 3 325.456 2.586 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134996 1295288463 /nfs/dbraw/zinc/28/84/63/1295288463.db2.gz UERLENNXRZMOFJ-HLIPFELVSA-N 1 3 325.456 2.757 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)CCc1ccccc1 ZINC000887134099 1295288876 /nfs/dbraw/zinc/28/88/76/1295288876.db2.gz BYLNIFLTOZFQAB-XLIONFOSSA-N 1 3 325.456 2.586 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1OC ZINC001198903208 1295305871 /nfs/dbraw/zinc/30/58/71/1295305871.db2.gz WRNFYXZDELBFEG-FUHWJXTLSA-N 1 3 347.503 2.584 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(C)C ZINC001198865940 1295307799 /nfs/dbraw/zinc/30/77/99/1295307799.db2.gz PLIILHLRZWRHOB-XYJFISCASA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(C)C ZINC001198865940 1295307810 /nfs/dbraw/zinc/30/78/10/1295307810.db2.gz PLIILHLRZWRHOB-XYJFISCASA-N 1 3 347.503 2.581 20 0 EFADHO CC(C)Oc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204457512 1313143357 /nfs/dbraw/zinc/14/33/57/1313143357.db2.gz HVPSBICXYOGNRC-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CCCN[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1OC ZINC001198925816 1295336533 /nfs/dbraw/zinc/33/65/33/1295336533.db2.gz YBJKQELNRPGTRF-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCN[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)c1ccccc1OC ZINC001198932405 1295339263 /nfs/dbraw/zinc/33/92/63/1295339263.db2.gz NZRGPZYKCYBOBP-IEBWSBKVSA-N 1 3 349.519 2.828 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939359 1295342989 /nfs/dbraw/zinc/34/29/89/1295342989.db2.gz KSSAJYPSEHZEPT-WMZOPIPTSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCC[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939687 1295344937 /nfs/dbraw/zinc/34/49/37/1295344937.db2.gz LVCQSSFKINCURO-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO CCCCC[NH2+][C@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939685 1295345727 /nfs/dbraw/zinc/34/57/27/1295345727.db2.gz LVCQSSFKINCURO-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](NCCC(C)C)c1ccccc1OC ZINC001198953945 1295353167 /nfs/dbraw/zinc/35/31/67/1295353167.db2.gz WYYZWVFGERSOQI-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCCC(C)C)c1ccccc1OC ZINC001198953945 1295353179 /nfs/dbraw/zinc/35/31/79/1295353179.db2.gz WYYZWVFGERSOQI-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCN[C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968577 1295365734 /nfs/dbraw/zinc/36/57/34/1295365734.db2.gz OBBLMQHVNMMBIF-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO CN(C)c1cc[nH+]cc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001204491647 1313148565 /nfs/dbraw/zinc/14/85/65/1313148565.db2.gz SIIYHWJHNKKHES-UHFFFAOYSA-N 1 3 325.460 2.639 20 0 EFADHO CCOC(=O)[C@@H](CCc1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000903743452 1313151544 /nfs/dbraw/zinc/15/15/44/1313151544.db2.gz LIKNQVFBYHTEHK-GOSISDBHSA-N 1 3 330.472 2.626 20 0 EFADHO Cc1csc(C2(NC[C@@H]3CC4(CO3)CC[NH2+]CC4)CCCC2)n1 ZINC000903740515 1313146873 /nfs/dbraw/zinc/14/68/73/1313146873.db2.gz IHXVJRWRCJXGNM-HNNXBMFYSA-N 1 3 335.517 2.969 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC1 ZINC001276473130 1313164020 /nfs/dbraw/zinc/16/40/20/1313164020.db2.gz UWEGHUQRNFWLKE-RTBURBONSA-N 1 3 347.547 2.855 20 0 EFADHO Cc1c(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cnn1C ZINC001204571251 1313166695 /nfs/dbraw/zinc/16/66/95/1313166695.db2.gz XVBHKQDLBYHWKM-UHFFFAOYSA-N 1 3 328.460 2.810 20 0 EFADHO Cc1c(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cnn1C ZINC001204571251 1313166696 /nfs/dbraw/zinc/16/66/96/1313166696.db2.gz XVBHKQDLBYHWKM-UHFFFAOYSA-N 1 3 328.460 2.810 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890772 1295681853 /nfs/dbraw/zinc/68/18/53/1295681853.db2.gz QZBRJVNDGOHBIW-IRXDYDNUSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890772 1295681867 /nfs/dbraw/zinc/68/18/67/1295681867.db2.gz QZBRJVNDGOHBIW-IRXDYDNUSA-N 1 3 337.895 2.932 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644070 1313176701 /nfs/dbraw/zinc/17/67/01/1313176701.db2.gz SFFOPAUJKYNLOE-IRXDYDNUSA-N 1 3 329.504 2.635 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644070 1313176704 /nfs/dbraw/zinc/17/67/04/1313176704.db2.gz SFFOPAUJKYNLOE-IRXDYDNUSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001234644382 1313176942 /nfs/dbraw/zinc/17/69/42/1313176942.db2.gz UARBQJVQYYNUTH-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234644382 1313176944 /nfs/dbraw/zinc/17/69/44/1313176944.db2.gz UARBQJVQYYNUTH-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)CC1 ZINC001049687912 1313180543 /nfs/dbraw/zinc/18/05/43/1313180543.db2.gz OTNJBUJZHGZLHF-MSOLQXFVSA-N 1 3 347.528 2.655 20 0 EFADHO c1nc2cnccn2c1C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001199851146 1295775028 /nfs/dbraw/zinc/77/50/28/1295775028.db2.gz OEKBRYXAXWQELL-GOSISDBHSA-N 1 3 335.455 2.731 20 0 EFADHO CN(C)c1cc(Nc2ccc(CN3CCN(C)CC3)cc2)cc[nH+]1 ZINC001204734930 1313187068 /nfs/dbraw/zinc/18/70/68/1313187068.db2.gz ZOEHVHSGIZCQJS-UHFFFAOYSA-N 1 3 325.460 2.639 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000803811960 1313186861 /nfs/dbraw/zinc/18/68/61/1313186861.db2.gz XZMGFZQGUCNPMV-IBGZPJMESA-N 1 3 347.503 2.680 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001204798719 1313196425 /nfs/dbraw/zinc/19/64/25/1313196425.db2.gz MQCYZUUKDMTSJF-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO c1n[nH]cc1C[N@@H+]1CC[C@H]2CN(COCc3ccccc3)C[C@H]2CC1 ZINC001277898873 1313197379 /nfs/dbraw/zinc/19/73/79/1313197379.db2.gz RCUXTFCPOUCDGV-BGYRXZFFSA-N 1 3 340.471 2.728 20 0 EFADHO c1n[nH]cc1C[N@H+]1CC[C@H]2CN(COCc3ccccc3)C[C@H]2CC1 ZINC001277898873 1313197380 /nfs/dbraw/zinc/19/73/80/1313197380.db2.gz RCUXTFCPOUCDGV-BGYRXZFFSA-N 1 3 340.471 2.728 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141838 1313198404 /nfs/dbraw/zinc/19/84/04/1313198404.db2.gz JPCOFWJWJPHHDE-ICSRJNTNSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141838 1313198405 /nfs/dbraw/zinc/19/84/05/1313198405.db2.gz JPCOFWJWJPHHDE-ICSRJNTNSA-N 1 3 343.515 2.697 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001017142309 1313198527 /nfs/dbraw/zinc/19/85/27/1313198527.db2.gz NACJSPQVCBALHC-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001017142309 1313198530 /nfs/dbraw/zinc/19/85/30/1313198530.db2.gz NACJSPQVCBALHC-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017150953 1313205254 /nfs/dbraw/zinc/20/52/54/1313205254.db2.gz BDDSNVUBZHLFHP-RTBURBONSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017150953 1313205258 /nfs/dbraw/zinc/20/52/58/1313205258.db2.gz BDDSNVUBZHLFHP-RTBURBONSA-N 1 3 335.536 2.997 20 0 EFADHO Fc1ccc(N2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)cc1F ZINC001204878160 1313205466 /nfs/dbraw/zinc/20/54/66/1313205466.db2.gz ZHEJBZNJXCTPJB-UHFFFAOYSA-N 1 3 335.442 2.867 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001037249439 1296088090 /nfs/dbraw/zinc/08/80/90/1296088090.db2.gz YYJHTBGURCGHFC-MSOLQXFVSA-N 1 3 340.471 2.725 20 0 EFADHO CC(C)(O)CCCC1=CC[C@H](CN2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC001234971503 1313214640 /nfs/dbraw/zinc/21/46/40/1313214640.db2.gz PDLCOVLWGQUTPF-IPMKNSEASA-N 1 3 336.520 2.574 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC000959851628 1296143621 /nfs/dbraw/zinc/14/36/21/1296143621.db2.gz SWKXRBFQBZLSPC-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000959851628 1296143626 /nfs/dbraw/zinc/14/36/26/1296143626.db2.gz SWKXRBFQBZLSPC-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CCCCCNC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793371 1313223825 /nfs/dbraw/zinc/22/38/25/1313223825.db2.gz BOKYSURAJWHBDD-KRWDZBQOSA-N 1 3 331.504 2.674 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001274886442 1296201776 /nfs/dbraw/zinc/20/17/76/1296201776.db2.gz ADGLWUMJMHMBNA-UHFFFAOYSA-N 1 3 341.499 2.839 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001274886442 1296201783 /nfs/dbraw/zinc/20/17/83/1296201783.db2.gz ADGLWUMJMHMBNA-UHFFFAOYSA-N 1 3 341.499 2.839 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000959926276 1296243914 /nfs/dbraw/zinc/24/39/14/1296243914.db2.gz PUIUHPGWZWSOTC-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000959926275 1296244521 /nfs/dbraw/zinc/24/45/21/1296244521.db2.gz PUIUHPGWZWSOTC-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC001275298537 1296251695 /nfs/dbraw/zinc/25/16/95/1296251695.db2.gz QUIUUEZWVWIGGB-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC000960042544 1296396116 /nfs/dbraw/zinc/39/61/16/1296396116.db2.gz HUUMKUAFLBTVBN-PKOBYXMFSA-N 1 3 347.503 2.506 20 0 EFADHO CCOc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001275840634 1296429912 /nfs/dbraw/zinc/42/99/12/1296429912.db2.gz ZVDGEYKKQDFPGV-OAQYLSRUSA-N 1 3 345.531 2.935 20 0 EFADHO CCOc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1 ZINC001275840634 1296429916 /nfs/dbraw/zinc/42/99/16/1296429916.db2.gz ZVDGEYKKQDFPGV-OAQYLSRUSA-N 1 3 345.531 2.935 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC000960092294 1296446434 /nfs/dbraw/zinc/44/64/34/1296446434.db2.gz OHCFDHGMVULXOP-JTDSTZFVSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC000960093593 1296447391 /nfs/dbraw/zinc/44/73/91/1296447391.db2.gz ZQCRZEFMIZANRB-ZYSHUDEJSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1c(C)c(CN2CCC[C@](O)(C[NH3+])CC2)ccc1Br ZINC001205241768 1313257751 /nfs/dbraw/zinc/25/77/51/1313257751.db2.gz VISSTGKXRIGTPQ-MRXNPFEDSA-N 1 3 341.293 2.742 20 0 EFADHO Cc1cc(Br)cc(C)c1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205247265 1313258190 /nfs/dbraw/zinc/25/81/90/1313258190.db2.gz DSEIXEZIPCAKIR-MRXNPFEDSA-N 1 3 341.293 2.742 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(F)cc2)C1 ZINC000960130035 1296490318 /nfs/dbraw/zinc/49/03/18/1296490318.db2.gz DZNQZDGRHDDSCM-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960130063 1296490350 /nfs/dbraw/zinc/49/03/50/1296490350.db2.gz FVNGTYQSQKEBNM-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960130063 1296490352 /nfs/dbraw/zinc/49/03/52/1296490352.db2.gz FVNGTYQSQKEBNM-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC000960132216 1296491704 /nfs/dbraw/zinc/49/17/04/1296491704.db2.gz ULTOCLRDATWEPT-PXNSSMCTSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960136852 1296497515 /nfs/dbraw/zinc/49/75/15/1296497515.db2.gz KBYSGUFGHRKLPN-YJBOKZPZSA-N 1 3 327.488 2.578 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC000960150722 1296512147 /nfs/dbraw/zinc/51/21/47/1296512147.db2.gz MFGXUMXZSQCQIQ-LPHOPBHVSA-N 1 3 340.471 2.993 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC000960150668 1296513507 /nfs/dbraw/zinc/51/35/07/1296513507.db2.gz KUXQTTSJMAFAOT-IBGZPJMESA-N 1 3 340.471 2.686 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000960150746 1296513659 /nfs/dbraw/zinc/51/36/59/1296513659.db2.gz MZCWPLZOOCJQCN-HTWSVDAQSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000960151434 1296514451 /nfs/dbraw/zinc/51/44/51/1296514451.db2.gz PYSPZLVUQVULHG-WMZOPIPTSA-N 1 3 340.471 2.993 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017208434 1313265728 /nfs/dbraw/zinc/26/57/28/1313265728.db2.gz HHHPEGPVMIWFKU-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017208434 1313265732 /nfs/dbraw/zinc/26/57/32/1313265732.db2.gz HHHPEGPVMIWFKU-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017209089 1313266480 /nfs/dbraw/zinc/26/64/80/1313266480.db2.gz LOIVOXHRLPLYJJ-DLBZAZTESA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017209089 1313266483 /nfs/dbraw/zinc/26/64/83/1313266483.db2.gz LOIVOXHRLPLYJJ-DLBZAZTESA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)Cc3ccsc3)C2)C1 ZINC001017209601 1313266986 /nfs/dbraw/zinc/26/69/86/1313266986.db2.gz RCMRSUNFYGUENI-DLBZAZTESA-N 1 3 349.544 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccsc3)C2)C1 ZINC001017209601 1313266991 /nfs/dbraw/zinc/26/69/91/1313266991.db2.gz RCMRSUNFYGUENI-DLBZAZTESA-N 1 3 349.544 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001017209432 1313267259 /nfs/dbraw/zinc/26/72/59/1313267259.db2.gz PDXCYHVVYOSZOP-QUCCMNQESA-N 1 3 343.515 2.699 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001017209432 1313267263 /nfs/dbraw/zinc/26/72/63/1313267263.db2.gz PDXCYHVVYOSZOP-QUCCMNQESA-N 1 3 343.515 2.699 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC000960175906 1296542879 /nfs/dbraw/zinc/54/28/79/1296542879.db2.gz QTRBJDKNUQXSRY-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000960175906 1296542889 /nfs/dbraw/zinc/54/28/89/1296542889.db2.gz QTRBJDKNUQXSRY-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017214797 1313269462 /nfs/dbraw/zinc/26/94/62/1313269462.db2.gz YNBYAMPAJJCSAE-AEFFLSMTSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017214797 1313269466 /nfs/dbraw/zinc/26/94/66/1313269466.db2.gz YNBYAMPAJJCSAE-AEFFLSMTSA-N 1 3 337.552 2.933 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]CCCc3ccsc3)CC2)CCC1 ZINC001201037664 1296554365 /nfs/dbraw/zinc/55/43/65/1296554365.db2.gz NSODNAMUVQIBJG-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960188586 1296556641 /nfs/dbraw/zinc/55/66/41/1296556641.db2.gz ORLIUSGANDICIK-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960188586 1296556645 /nfs/dbraw/zinc/55/66/45/1296556645.db2.gz ORLIUSGANDICIK-WMZOPIPTSA-N 1 3 347.478 2.638 20 0 EFADHO COc1ccc2nc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238952 1313271206 /nfs/dbraw/zinc/27/12/06/1313271206.db2.gz GUURRYLJDDQKIS-MRXNPFEDSA-N 1 3 328.460 2.926 20 0 EFADHO COc1ccc2nc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)[nH]c2c1 ZINC001235238950 1313271385 /nfs/dbraw/zinc/27/13/85/1313271385.db2.gz GUURRYLJDDQKIS-INIZCTEOSA-N 1 3 328.460 2.926 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1)C1CC1 ZINC001201053749 1296567849 /nfs/dbraw/zinc/56/78/49/1296567849.db2.gz WJNSAKKTJPLROM-HNNXBMFYSA-N 1 3 349.441 2.640 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)C1 ZINC000960220165 1296597249 /nfs/dbraw/zinc/59/72/49/1296597249.db2.gz VAFHZTLNCXFDHA-IRXDYDNUSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)C1 ZINC000960220165 1296597255 /nfs/dbraw/zinc/59/72/55/1296597255.db2.gz VAFHZTLNCXFDHA-IRXDYDNUSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017223308 1313276945 /nfs/dbraw/zinc/27/69/45/1313276945.db2.gz ZFUJUSXKQGFMJY-QGZVFWFLSA-N 1 3 330.476 2.623 20 0 EFADHO C[N@H+](CC1=CCCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017223308 1313276949 /nfs/dbraw/zinc/27/69/49/1313276949.db2.gz ZFUJUSXKQGFMJY-QGZVFWFLSA-N 1 3 330.476 2.623 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2ccc(C)cc2)CC1)N(C)C ZINC001201240282 1296647524 /nfs/dbraw/zinc/64/75/24/1296647524.db2.gz QKZJPINNVWZJMJ-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC000960262814 1296668728 /nfs/dbraw/zinc/66/87/28/1296668728.db2.gz RCWZAAWDOQOYON-CEXWTWQISA-N 1 3 329.488 2.639 20 0 EFADHO CCn1cc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)cn1 ZINC001276242385 1296672894 /nfs/dbraw/zinc/67/28/94/1296672894.db2.gz LHAUBTGOONMTEI-RBUKOAKNSA-N 1 3 327.476 2.956 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCC3)C2)CC1 ZINC001017240542 1313290107 /nfs/dbraw/zinc/29/01/07/1313290107.db2.gz ONPWYTDCMFYZIV-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCC3)C2)CC1 ZINC001017240542 1313290111 /nfs/dbraw/zinc/29/01/11/1313290111.db2.gz ONPWYTDCMFYZIV-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(C)C)C1 ZINC001205452802 1313292342 /nfs/dbraw/zinc/29/23/42/1313292342.db2.gz RJQHIXWOJYOXSO-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC2CCC2)C1 ZINC000960305248 1296722210 /nfs/dbraw/zinc/72/22/10/1296722210.db2.gz WRVJIUAWQMEJEJ-NYSBEXSLSA-N 1 3 341.499 2.500 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668544 1296723630 /nfs/dbraw/zinc/72/36/30/1296723630.db2.gz RBLSODBAEJKSAS-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CC(C)C)C2 ZINC001095668544 1296723638 /nfs/dbraw/zinc/72/36/38/1296723638.db2.gz RBLSODBAEJKSAS-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001205469708 1313295635 /nfs/dbraw/zinc/29/56/35/1313295635.db2.gz UTDNWJSQAFEMED-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC001201321199 1296725180 /nfs/dbraw/zinc/72/51/80/1296725180.db2.gz HGNBFSKZGUECOP-UHFFFAOYSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC001201326938 1296730266 /nfs/dbraw/zinc/73/02/66/1296730266.db2.gz FCXMIBXHTSQHAA-UHFFFAOYSA-N 1 3 337.533 2.602 20 0 EFADHO C[NH+](C)CCOCc1ncn2c1CN(CC1CCCCC1)CCC2 ZINC001201397610 1296765230 /nfs/dbraw/zinc/76/52/30/1296765230.db2.gz NMBGVGPFZMQELC-UHFFFAOYSA-N 1 3 334.508 2.747 20 0 EFADHO c1ccc(C2(C[N@@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)CCCC2)cc1 ZINC001235365532 1313302648 /nfs/dbraw/zinc/30/26/48/1313302648.db2.gz AECAYARFGKSNLO-QKNQBKEWSA-N 1 3 326.484 2.951 20 0 EFADHO c1ccc(C2(C[N@H+]3CC[C@@]45CNC[C@@H](C[C@H]4C3)O5)CCCC2)cc1 ZINC001235365532 1313302652 /nfs/dbraw/zinc/30/26/52/1313302652.db2.gz AECAYARFGKSNLO-QKNQBKEWSA-N 1 3 326.484 2.951 20 0 EFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@H]1CC=CCC1)CCC2 ZINC001201412129 1296781925 /nfs/dbraw/zinc/78/19/25/1296781925.db2.gz UKPXNQZICWPQFP-KRWDZBQOSA-N 1 3 344.503 2.646 20 0 EFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@H]1CC=CCC1)CCC2 ZINC001201412129 1296781934 /nfs/dbraw/zinc/78/19/34/1296781934.db2.gz UKPXNQZICWPQFP-KRWDZBQOSA-N 1 3 344.503 2.646 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001205516306 1313303889 /nfs/dbraw/zinc/30/38/89/1313303889.db2.gz YKFUPUMMOBVTSZ-SJLPKXTDSA-N 1 3 325.541 2.837 20 0 EFADHO C[NH+](C)CCOCc1ncn2c1CN(C[C@@H]1CC=CCC1)CCC2 ZINC001201417593 1296793692 /nfs/dbraw/zinc/79/36/92/1296793692.db2.gz VOVIETSHCOHIFB-QGZVFWFLSA-N 1 3 332.492 2.523 20 0 EFADHO CCn1cc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001205533268 1313307525 /nfs/dbraw/zinc/30/75/25/1313307525.db2.gz OQHCESPRDJDNKE-UHFFFAOYSA-N 1 3 328.460 2.984 20 0 EFADHO CCn1cc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001205533268 1313307529 /nfs/dbraw/zinc/30/75/29/1313307529.db2.gz OQHCESPRDJDNKE-UHFFFAOYSA-N 1 3 328.460 2.984 20 0 EFADHO O=C(N1CCC(NC/C(Cl)=C/Cl)CC1)C12CCC[NH+]1CCC2 ZINC001201440699 1296841468 /nfs/dbraw/zinc/84/14/68/1296841468.db2.gz DJRGRVWNJSRMJZ-QBFSEMIESA-N 1 3 346.302 2.514 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017265949 1313310288 /nfs/dbraw/zinc/31/02/88/1313310288.db2.gz MWKIUJYUQOQOAU-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017265949 1313310290 /nfs/dbraw/zinc/31/02/90/1313310290.db2.gz MWKIUJYUQOQOAU-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)(C)C(=O)Nc1cnccc1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559480 1313312753 /nfs/dbraw/zinc/31/27/53/1313312753.db2.gz ROOVRHPLXGQIBG-SFHVURJKSA-N 1 3 336.455 2.719 20 0 EFADHO COc1cccc(-c2ncc(CN3CCC[C@@](F)(C[NH3+])CC3)cn2)c1 ZINC001205559028 1313313217 /nfs/dbraw/zinc/31/32/17/1313313217.db2.gz NDEHKKXCJOQCNT-IBGZPJMESA-N 1 3 344.434 2.805 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1 ZINC001205562650 1313313330 /nfs/dbraw/zinc/31/33/30/1313313330.db2.gz ZTVPANXEIWWRLW-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO [NH3+]C[C@@]1(F)CCCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001205571574 1313315114 /nfs/dbraw/zinc/31/51/14/1313315114.db2.gz UWPXASMGVYNQEW-CQSZACIVSA-N 1 3 335.345 2.676 20 0 EFADHO O=c1ccc2c(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423908 1313318612 /nfs/dbraw/zinc/31/86/12/1313318612.db2.gz HBRUDHLDVFYIDH-GJZGRUSLSA-N 1 3 341.455 2.858 20 0 EFADHO O=c1ccc2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423908 1313318615 /nfs/dbraw/zinc/31/86/15/1313318615.db2.gz HBRUDHLDVFYIDH-GJZGRUSLSA-N 1 3 341.455 2.858 20 0 EFADHO COC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426617 1313319291 /nfs/dbraw/zinc/31/92/91/1313319291.db2.gz MADRKZVSTKQWSP-HZPDHXFCSA-N 1 3 334.435 2.824 20 0 EFADHO COC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC001235426615 1313319471 /nfs/dbraw/zinc/31/94/71/1313319471.db2.gz MADRKZVSTKQWSP-CVEARBPZSA-N 1 3 334.435 2.824 20 0 EFADHO C[C@H]1CCN(Cc2cccnc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205617651 1313323687 /nfs/dbraw/zinc/32/36/87/1313323687.db2.gz LYPZGFCHBZQVBP-GJZGRUSLSA-N 1 3 332.492 2.873 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205625382 1313325219 /nfs/dbraw/zinc/32/52/19/1313325219.db2.gz KJUGFWUDXGLCDG-QXAKKESOSA-N 1 3 349.494 2.850 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCC)C1 ZINC001201668668 1296981652 /nfs/dbraw/zinc/98/16/52/1296981652.db2.gz IPFNOUFGXYOUAV-GOSISDBHSA-N 1 3 341.540 2.506 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000927082008 1296986468 /nfs/dbraw/zinc/98/64/68/1296986468.db2.gz YFXFOXFEEATHNT-WOZUAGRISA-N 1 3 344.499 2.682 20 0 EFADHO C(CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC001235469047 1313330718 /nfs/dbraw/zinc/33/07/18/1313330718.db2.gz XWNKEBIDNAQLGK-IJXRJRJASA-N 1 3 336.520 2.815 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960486119 1297088634 /nfs/dbraw/zinc/08/86/34/1297088634.db2.gz HMDSLFNRNGGZNA-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960486119 1297088649 /nfs/dbraw/zinc/08/86/49/1297088649.db2.gz HMDSLFNRNGGZNA-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000960490261 1297100350 /nfs/dbraw/zinc/10/03/50/1297100350.db2.gz WQEPJNSBWRBRIP-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000960490261 1297100352 /nfs/dbraw/zinc/10/03/52/1297100352.db2.gz WQEPJNSBWRBRIP-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC000960491011 1297100821 /nfs/dbraw/zinc/10/08/21/1297100821.db2.gz XEVBVBXVSUIRFX-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000960491011 1297100825 /nfs/dbraw/zinc/10/08/25/1297100825.db2.gz XEVBVBXVSUIRFX-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO [NH3+]C[C@]1(O)CCCCN(Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725551 1313345313 /nfs/dbraw/zinc/34/53/13/1313345313.db2.gz IHBMFURIKFUHFQ-OAQYLSRUSA-N 1 3 340.467 2.941 20 0 EFADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725551 1313345317 /nfs/dbraw/zinc/34/53/17/1313345317.db2.gz IHBMFURIKFUHFQ-OAQYLSRUSA-N 1 3 340.467 2.941 20 0 EFADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001205725551 1313345322 /nfs/dbraw/zinc/34/53/22/1313345322.db2.gz IHBMFURIKFUHFQ-OAQYLSRUSA-N 1 3 340.467 2.941 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]1Cc1ccccc1 ZINC000903888854 1313357104 /nfs/dbraw/zinc/35/71/04/1313357104.db2.gz LWQZOOJHZKPLEP-RBUKOAKNSA-N 1 3 339.487 2.800 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250948 1314463103 /nfs/dbraw/zinc/46/31/03/1314463103.db2.gz YTOXHBHHNUHTSC-GOSISDBHSA-N 1 3 329.488 2.909 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000903892733 1313363641 /nfs/dbraw/zinc/36/36/41/1313363641.db2.gz VWURKNUSCVYLCM-RTBURBONSA-N 1 3 339.487 2.972 20 0 EFADHO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895447 1313368996 /nfs/dbraw/zinc/36/89/96/1313368996.db2.gz OAFKXJYKSYASBZ-HFTRVMKXSA-N 1 3 343.450 2.720 20 0 EFADHO COc1cccc(CN(C)Cc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC001235664868 1313369979 /nfs/dbraw/zinc/36/99/79/1313369979.db2.gz YWMKSXLUFKHIJV-UHFFFAOYSA-N 1 3 325.456 2.737 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000960641076 1297343864 /nfs/dbraw/zinc/34/38/64/1297343864.db2.gz BSFMNYXLCSCBCU-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000960641076 1297343875 /nfs/dbraw/zinc/34/38/75/1297343875.db2.gz BSFMNYXLCSCBCU-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC(C[NH2+]C)CC1 ZINC001235679497 1313373564 /nfs/dbraw/zinc/37/35/64/1313373564.db2.gz VGSOXNSUKZTIEX-UHFFFAOYSA-N 1 3 329.444 2.776 20 0 EFADHO Clc1cccc(Cl)c1CN1CCN(CCC2C[NH2+]C2)CC1 ZINC001235690009 1313376066 /nfs/dbraw/zinc/37/60/66/1313376066.db2.gz DNHVIYCDJTWDJK-UHFFFAOYSA-N 1 3 328.287 2.721 20 0 EFADHO COC(=O)CCN(Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235689787 1313376309 /nfs/dbraw/zinc/37/63/09/1313376309.db2.gz COJUGGSPGKLXSG-UHFFFAOYSA-N 1 3 338.451 2.898 20 0 EFADHO COc1ccccc1O[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235688847 1313376520 /nfs/dbraw/zinc/37/65/20/1313376520.db2.gz TYIURGHFJSGOOL-IBGZPJMESA-N 1 3 338.451 2.994 20 0 EFADHO C[C@@H](N)C[NH+]1CCC(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001235692899 1313376568 /nfs/dbraw/zinc/37/65/68/1313376568.db2.gz WDJDFEFAUPISAE-MRXNPFEDSA-N 1 3 329.488 2.598 20 0 EFADHO CCCCCCN1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001235691290 1313376963 /nfs/dbraw/zinc/37/69/63/1313376963.db2.gz IOMRMGNZOMHREJ-UHFFFAOYSA-N 1 3 344.547 2.794 20 0 EFADHO C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903899398 1313377231 /nfs/dbraw/zinc/37/72/31/1313377231.db2.gz UGFZQBPQLFNZOY-SZVBFZGTSA-N 1 3 325.460 2.581 20 0 EFADHO COC(=O)CCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001235693109 1313377248 /nfs/dbraw/zinc/37/72/48/1313377248.db2.gz RQFOHHLNZXJDFM-UHFFFAOYSA-N 1 3 338.451 2.898 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC000960667380 1297395126 /nfs/dbraw/zinc/39/51/26/1297395126.db2.gz IGUCUMLCWRDNFH-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC000960667380 1297395140 /nfs/dbraw/zinc/39/51/40/1297395140.db2.gz IGUCUMLCWRDNFH-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)C1CCC1 ZINC000960668157 1297397333 /nfs/dbraw/zinc/39/73/33/1297397333.db2.gz MHFUZGSCEIXIGR-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)C1CCC1 ZINC000960668157 1297397338 /nfs/dbraw/zinc/39/73/38/1297397338.db2.gz MHFUZGSCEIXIGR-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847730 1313382802 /nfs/dbraw/zinc/38/28/02/1313382802.db2.gz GAYQVBCJRZBURV-BHUNQDJPSA-N 1 3 344.503 2.799 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847730 1313382806 /nfs/dbraw/zinc/38/28/06/1313382806.db2.gz GAYQVBCJRZBURV-BHUNQDJPSA-N 1 3 344.503 2.799 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670155 1297403658 /nfs/dbraw/zinc/40/36/58/1297403658.db2.gz AHOJWPIPTXUPIT-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670155 1297403668 /nfs/dbraw/zinc/40/36/68/1297403668.db2.gz AHOJWPIPTXUPIT-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001235718491 1313383708 /nfs/dbraw/zinc/38/37/08/1313383708.db2.gz IQMFLADRZLDZMP-YSIASYRMSA-N 1 3 345.531 2.943 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001235718491 1313383711 /nfs/dbraw/zinc/38/37/11/1313383711.db2.gz IQMFLADRZLDZMP-YSIASYRMSA-N 1 3 345.531 2.943 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)cs1 ZINC000960683498 1297417811 /nfs/dbraw/zinc/41/78/11/1297417811.db2.gz RKKWONIQVIIJAY-QZTJIDSGSA-N 1 3 349.544 2.820 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849067 1313384910 /nfs/dbraw/zinc/38/49/10/1313384910.db2.gz NDBHMYHRFPSHPF-ZNMIVQPWSA-N 1 3 336.455 2.501 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849067 1313384913 /nfs/dbraw/zinc/38/49/13/1313384913.db2.gz NDBHMYHRFPSHPF-ZNMIVQPWSA-N 1 3 336.455 2.501 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)C1CC1 ZINC000960686400 1297420709 /nfs/dbraw/zinc/42/07/09/1297420709.db2.gz WNWXQCHLNJGMQH-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)C1CC1 ZINC000960686400 1297420711 /nfs/dbraw/zinc/42/07/11/1297420711.db2.gz WNWXQCHLNJGMQH-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCc1ccc(C(=O)N2CCN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903904658 1313386547 /nfs/dbraw/zinc/38/65/47/1313386547.db2.gz XYQHNXLAGWCXQL-CTXDPNEZSA-N 1 3 341.499 2.537 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850940 1313387222 /nfs/dbraw/zinc/38/72/22/1313387222.db2.gz VAMNCQZHJCVYIV-IRXDYDNUSA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850940 1313387226 /nfs/dbraw/zinc/38/72/26/1313387226.db2.gz VAMNCQZHJCVYIV-IRXDYDNUSA-N 1 3 344.503 2.943 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960709501 1297452491 /nfs/dbraw/zinc/45/24/91/1297452491.db2.gz LVUGTTKVUIIHLP-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960709501 1297452494 /nfs/dbraw/zinc/45/24/94/1297452494.db2.gz LVUGTTKVUIIHLP-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852091 1313388574 /nfs/dbraw/zinc/38/85/74/1313388574.db2.gz ZYCWJKXHPUDKIQ-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852091 1313388579 /nfs/dbraw/zinc/38/85/79/1313388579.db2.gz ZYCWJKXHPUDKIQ-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO Cc1c(Br)cncc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206013184 1313391458 /nfs/dbraw/zinc/39/14/58/1313391458.db2.gz PWGUGVBYTVWKEK-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO [NH3+]CCCCCCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235791613 1313397604 /nfs/dbraw/zinc/39/76/04/1313397604.db2.gz AJVGCEOPACERAJ-MRXNPFEDSA-N 1 3 340.309 2.915 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165563 1313413887 /nfs/dbraw/zinc/41/38/87/1313413887.db2.gz OCCAIPKWKZGWCY-OALUTQOASA-N 1 3 330.451 2.809 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206165563 1313413889 /nfs/dbraw/zinc/41/38/89/1313413889.db2.gz OCCAIPKWKZGWCY-OALUTQOASA-N 1 3 330.451 2.809 20 0 EFADHO Cc1cccc([C@@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903915044 1313406911 /nfs/dbraw/zinc/40/69/11/1313406911.db2.gz XOAWYQTYDAJULE-QZTJIDSGSA-N 1 3 325.460 2.501 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549456 1313409276 /nfs/dbraw/zinc/40/92/76/1313409276.db2.gz INBDBRPFRAVAGG-MKXGPGLRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549456 1313409280 /nfs/dbraw/zinc/40/92/80/1313409280.db2.gz INBDBRPFRAVAGG-MKXGPGLRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC12CCCCC2 ZINC000903917520 1313411571 /nfs/dbraw/zinc/41/15/71/1313411571.db2.gz ZFKOTNIRGAVHTI-SJORKVTESA-N 1 3 331.508 2.995 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000935793520 1297662990 /nfs/dbraw/zinc/66/29/90/1297662990.db2.gz FOVFDHQPBIGUEO-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935793520 1297663002 /nfs/dbraw/zinc/66/30/02/1297663002.db2.gz FOVFDHQPBIGUEO-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1CC1(C)CC[NH2+]CC1 ZINC001235868399 1313412301 /nfs/dbraw/zinc/41/23/01/1313412301.db2.gz YSGBLQKWNUHDFY-SFHVURJKSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)N(C)C ZINC000960844024 1297670122 /nfs/dbraw/zinc/67/01/22/1297670122.db2.gz LTYITLSQYJZGFJ-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)N(C)C ZINC000960844024 1297670130 /nfs/dbraw/zinc/67/01/30/1297670130.db2.gz LTYITLSQYJZGFJ-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001206168165 1313414381 /nfs/dbraw/zinc/41/43/81/1313414381.db2.gz DUOCOVAZQMNMLA-HXUWFJFHSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858772 1297703233 /nfs/dbraw/zinc/70/32/33/1297703233.db2.gz ACKLFOWXKRCXEW-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858772 1297703243 /nfs/dbraw/zinc/70/32/43/1297703243.db2.gz ACKLFOWXKRCXEW-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C)cs1 ZINC000960859131 1297707759 /nfs/dbraw/zinc/70/77/59/1297707759.db2.gz BQKKISKCYIIJOL-YJBOKZPZSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000960859131 1297707769 /nfs/dbraw/zinc/70/77/69/1297707769.db2.gz BQKKISKCYIIJOL-YJBOKZPZSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC000960859949 1297709934 /nfs/dbraw/zinc/70/99/34/1297709934.db2.gz CLLHSGGTZVKNKI-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC000960859949 1297709940 /nfs/dbraw/zinc/70/99/40/1297709940.db2.gz CLLHSGGTZVKNKI-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC000960861714 1297712064 /nfs/dbraw/zinc/71/20/64/1297712064.db2.gz HPOWTGABOHSTKX-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC000960861714 1297712079 /nfs/dbraw/zinc/71/20/79/1297712079.db2.gz HPOWTGABOHSTKX-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960862570 1297715053 /nfs/dbraw/zinc/71/50/53/1297715053.db2.gz JPPOUFOWKOWBHV-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960862570 1297715059 /nfs/dbraw/zinc/71/50/59/1297715059.db2.gz JPPOUFOWKOWBHV-MJGOQNOKSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)cs1 ZINC000960864528 1297717696 /nfs/dbraw/zinc/71/76/96/1297717696.db2.gz OCVSGOXOGMOIAX-MAUKXSAKSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)cs1 ZINC000960864528 1297717702 /nfs/dbraw/zinc/71/77/02/1297717702.db2.gz OCVSGOXOGMOIAX-MAUKXSAKSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868266 1297726522 /nfs/dbraw/zinc/72/65/22/1297726522.db2.gz ZRUIRGMQRMAFBB-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868266 1297726523 /nfs/dbraw/zinc/72/65/23/1297726523.db2.gz ZRUIRGMQRMAFBB-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868264 1297726588 /nfs/dbraw/zinc/72/65/88/1297726588.db2.gz ZRUIRGMQRMAFBB-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868264 1297726594 /nfs/dbraw/zinc/72/65/94/1297726594.db2.gz ZRUIRGMQRMAFBB-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO N[C@]1(C(F)(F)F)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001206211965 1313420658 /nfs/dbraw/zinc/42/06/58/1313420658.db2.gz QOPAVPWIDYXXQC-QGZVFWFLSA-N 1 3 341.421 2.864 20 0 EFADHO CCN(Cc1ccc2n1CCNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947626 1313421756 /nfs/dbraw/zinc/42/17/56/1313421756.db2.gz DVTKQMUJKCJKJW-FQEVSTJZSA-N 1 3 338.499 2.688 20 0 EFADHO CCN(Cc1ccc2n1CCNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947626 1313421760 /nfs/dbraw/zinc/42/17/60/1313421760.db2.gz DVTKQMUJKCJKJW-FQEVSTJZSA-N 1 3 338.499 2.688 20 0 EFADHO Clc1ccc(N2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)nc1 ZINC001235950198 1313422089 /nfs/dbraw/zinc/42/20/89/1313422089.db2.gz UOPVQGRVMFBZRH-UHFFFAOYSA-N 1 3 334.895 2.637 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001206274240 1313429494 /nfs/dbraw/zinc/42/94/94/1313429494.db2.gz FUMFMEBIYBXNSQ-CYBMUJFWSA-N 1 3 348.318 2.618 20 0 EFADHO COc1cc(C[NH2+]C[C@H](N)CC(F)F)ccc1OCC(F)(F)F ZINC000903922988 1313424731 /nfs/dbraw/zinc/42/47/31/1313424731.db2.gz IVPJMGYBLHRYAC-SNVBAGLBSA-N 1 3 342.308 2.708 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914634 1297802327 /nfs/dbraw/zinc/80/23/27/1297802327.db2.gz UYHLZALBHFWENG-FUHWJXTLSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000960914634 1297802342 /nfs/dbraw/zinc/80/23/42/1297802342.db2.gz UYHLZALBHFWENG-FUHWJXTLSA-N 1 3 340.471 2.945 20 0 EFADHO C[C@H]1C[C@H](NCc2cccc3c2CC[NH2+]C3)C(=O)N1c1ccccc1 ZINC000903924682 1313425887 /nfs/dbraw/zinc/42/58/87/1313425887.db2.gz GXSAAHBZJBTUCS-YWZLYKJASA-N 1 3 335.451 2.616 20 0 EFADHO C[C@H]1C[C@@H](NCc2cccc3c2CC[NH2+]C3)C(=O)N1c1ccccc1 ZINC000903924680 1313425972 /nfs/dbraw/zinc/42/59/72/1313425972.db2.gz GXSAAHBZJBTUCS-MGPUTAFESA-N 1 3 335.451 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001206302410 1313432592 /nfs/dbraw/zinc/43/25/92/1313432592.db2.gz YKFUPUMMOBVTSZ-WMZOPIPTSA-N 1 3 325.541 2.837 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@H]1CNCC2 ZINC001236038467 1313432777 /nfs/dbraw/zinc/43/27/77/1313432777.db2.gz JSWULPAVGYDSJC-WIYYLYMNSA-N 1 3 344.499 2.959 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@H]1CNCC2 ZINC001236038467 1313432782 /nfs/dbraw/zinc/43/27/82/1313432782.db2.gz JSWULPAVGYDSJC-WIYYLYMNSA-N 1 3 344.499 2.959 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc4ccsc4c3)C[C@H]1CNCC2 ZINC001236041359 1313433317 /nfs/dbraw/zinc/43/33/17/1313433317.db2.gz RLHNZQANASLAQA-VQIMIIECSA-N 1 3 344.480 2.876 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc4ccsc4c3)C[C@H]1CNCC2 ZINC001236041359 1313433320 /nfs/dbraw/zinc/43/33/20/1313433320.db2.gz RLHNZQANASLAQA-VQIMIIECSA-N 1 3 344.480 2.876 20 0 EFADHO Cc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc(OC(F)(F)F)c1 ZINC001236076984 1313438636 /nfs/dbraw/zinc/43/86/36/1313438636.db2.gz DJQUCSYXTJZREX-OAHLLOKOSA-N 1 3 343.393 2.501 20 0 EFADHO CCCCCCOc1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC001236083432 1313439856 /nfs/dbraw/zinc/43/98/56/1313439856.db2.gz UQKRUBRDBCLZGV-UHFFFAOYSA-N 1 3 333.520 2.983 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)CC[C@@H]1CCCC[NH2+]1 ZINC001236145534 1313446654 /nfs/dbraw/zinc/44/66/54/1313446654.db2.gz DPQXQYXRXJGVRT-DLBZAZTESA-N 1 3 328.497 2.589 20 0 EFADHO COC(=O)C[C@@H](C)N(CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001236145421 1313446774 /nfs/dbraw/zinc/44/67/74/1313446774.db2.gz XTPNLOLKGKEUDJ-WBVHZDCISA-N 1 3 334.460 2.555 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)CC[C@H]1CCCC[NH2+]1 ZINC001236145539 1313446795 /nfs/dbraw/zinc/44/67/95/1313446795.db2.gz DPQXQYXRXJGVRT-SJORKVTESA-N 1 3 328.497 2.589 20 0 EFADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C[C@H]1CC[NH2+]C1 ZINC001236153103 1313447598 /nfs/dbraw/zinc/44/75/98/1313447598.db2.gz IVVKGVZULHSDMW-CUSZFKRNSA-N 1 3 342.524 2.689 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001049894664 1313447662 /nfs/dbraw/zinc/44/76/62/1313447662.db2.gz GRMYCHXIPSGWNA-OKZBNKHCSA-N 1 3 347.528 2.574 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001049894664 1313447663 /nfs/dbraw/zinc/44/76/63/1313447663.db2.gz GRMYCHXIPSGWNA-OKZBNKHCSA-N 1 3 347.528 2.574 20 0 EFADHO Clc1ccc([C@@]23C[C@@H]2CN(CC[C@@H]2C[NH2+]CCO2)C3)cc1Cl ZINC001236156142 1313448027 /nfs/dbraw/zinc/44/80/27/1313448027.db2.gz XMXJIVWHPJVTHY-CPUCHLNUSA-N 1 3 341.282 2.945 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)CC1CCC2(CC2)CC1 ZINC000961026798 1298022889 /nfs/dbraw/zinc/02/28/89/1298022889.db2.gz GORNCOKLJKZTSE-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)CC1CCC2(CC2)CC1 ZINC000961026798 1298022901 /nfs/dbraw/zinc/02/29/01/1298022901.db2.gz GORNCOKLJKZTSE-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026232 1298023177 /nfs/dbraw/zinc/02/31/77/1298023177.db2.gz FBTAKCOGHVVPAV-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026232 1298023186 /nfs/dbraw/zinc/02/31/86/1298023186.db2.gz FBTAKCOGHVVPAV-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961026754 1298023586 /nfs/dbraw/zinc/02/35/86/1298023586.db2.gz FZCSUKUXKCNVBD-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961026754 1298023595 /nfs/dbraw/zinc/02/35/95/1298023595.db2.gz FZCSUKUXKCNVBD-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC000961027404 1298025703 /nfs/dbraw/zinc/02/57/03/1298025703.db2.gz IVUYCEZNLPOLQU-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000961027404 1298025710 /nfs/dbraw/zinc/02/57/10/1298025710.db2.gz IVUYCEZNLPOLQU-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961027393 1298025776 /nfs/dbraw/zinc/02/57/76/1298025776.db2.gz ISIVFJZQNCOEKU-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961027393 1298025782 /nfs/dbraw/zinc/02/57/82/1298025782.db2.gz ISIVFJZQNCOEKU-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC000961027405 1298026346 /nfs/dbraw/zinc/02/63/46/1298026346.db2.gz IVUYCEZNLPOLQU-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC000961027405 1298026354 /nfs/dbraw/zinc/02/63/54/1298026354.db2.gz IVUYCEZNLPOLQU-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1F ZINC000961028316 1298028085 /nfs/dbraw/zinc/02/80/85/1298028085.db2.gz NFOLOUYNTPOMQW-GOSISDBHSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1F ZINC000961028316 1298028095 /nfs/dbraw/zinc/02/80/95/1298028095.db2.gz NFOLOUYNTPOMQW-GOSISDBHSA-N 1 3 347.478 2.653 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030362 1298032475 /nfs/dbraw/zinc/03/24/75/1298032475.db2.gz VIWGJRXULNVVCY-SFHVURJKSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030362 1298032478 /nfs/dbraw/zinc/03/24/78/1298032478.db2.gz VIWGJRXULNVVCY-SFHVURJKSA-N 1 3 349.906 2.859 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029659 1298033109 /nfs/dbraw/zinc/03/31/09/1298033109.db2.gz RRLIOBVOBYJIOA-LJQANCHMSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029659 1298033119 /nfs/dbraw/zinc/03/31/19/1298033119.db2.gz RRLIOBVOBYJIOA-LJQANCHMSA-N 1 3 343.515 2.822 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031555 1298037295 /nfs/dbraw/zinc/03/72/95/1298037295.db2.gz ZCHGPPJSVJDUMO-IBGZPJMESA-N 1 3 347.478 2.675 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031555 1298037305 /nfs/dbraw/zinc/03/73/05/1298037305.db2.gz ZCHGPPJSVJDUMO-IBGZPJMESA-N 1 3 347.478 2.675 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000961032961 1298038428 /nfs/dbraw/zinc/03/84/28/1298038428.db2.gz XCZDZVGANYDVPQ-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000961032961 1298038439 /nfs/dbraw/zinc/03/84/39/1298038439.db2.gz XCZDZVGANYDVPQ-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034608 1298043613 /nfs/dbraw/zinc/04/36/13/1298043613.db2.gz NYZVSSNACVGKJQ-APWZRJJASA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034608 1298043622 /nfs/dbraw/zinc/04/36/22/1298043622.db2.gz NYZVSSNACVGKJQ-APWZRJJASA-N 1 3 347.478 2.905 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236278841 1313464482 /nfs/dbraw/zinc/46/44/82/1313464482.db2.gz WSPFMDUFGOTEIR-BRIYLRKRSA-N 1 3 328.456 2.611 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288406 1313465338 /nfs/dbraw/zinc/46/53/38/1313465338.db2.gz YRDAMXIPIXPHBZ-MAUKXSAKSA-N 1 3 337.458 2.731 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288411 1313465397 /nfs/dbraw/zinc/46/53/97/1313465397.db2.gz YRDAMXIPIXPHBZ-YJBOKZPZSA-N 1 3 337.458 2.731 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017657373 1313458786 /nfs/dbraw/zinc/45/87/86/1313458786.db2.gz CTMKNCSSPFNAFS-INDMIFKZSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017657373 1313458788 /nfs/dbraw/zinc/45/87/88/1313458788.db2.gz CTMKNCSSPFNAFS-INDMIFKZSA-N 1 3 333.520 2.725 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC001236291709 1313465990 /nfs/dbraw/zinc/46/59/90/1313465990.db2.gz LVFXCYNVCJFQTC-NZSAHSFTSA-N 1 3 348.462 2.969 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908259 1313468098 /nfs/dbraw/zinc/46/80/98/1313468098.db2.gz HAISOLMXVKHIRM-RBUKOAKNSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908259 1313468100 /nfs/dbraw/zinc/46/81/00/1313468100.db2.gz HAISOLMXVKHIRM-RBUKOAKNSA-N 1 3 329.488 2.837 20 0 EFADHO COCCN(Cc1ccc2c(c1)C(C(C)C)=NCC2)[C@@H]1CCC[NH2+]C1 ZINC001236328497 1313470259 /nfs/dbraw/zinc/47/02/59/1313470259.db2.gz HZYPVZATZQXFOJ-LJQANCHMSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001206548757 1313474264 /nfs/dbraw/zinc/47/42/64/1313474264.db2.gz IMPKUUVYWSSJES-FQEVSTJZSA-N 1 3 329.488 2.874 20 0 EFADHO CCOC(=O)c1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236375632 1313474644 /nfs/dbraw/zinc/47/46/44/1313474644.db2.gz LRCDTKBAUBZRCC-OAHLLOKOSA-N 1 3 333.476 2.936 20 0 EFADHO CCOC(=O)COc1cccc(CN2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206573228 1313477797 /nfs/dbraw/zinc/47/77/97/1313477797.db2.gz KJQQVKJSBFPDJH-IBGZPJMESA-N 1 3 334.460 2.579 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017694799 1313478623 /nfs/dbraw/zinc/47/86/23/1313478623.db2.gz BWWIEKWWFFSDPA-YRXWBPOGSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017694799 1313478627 /nfs/dbraw/zinc/47/86/27/1313478627.db2.gz BWWIEKWWFFSDPA-YRXWBPOGSA-N 1 3 335.536 2.828 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160302 1298231064 /nfs/dbraw/zinc/23/10/64/1298231064.db2.gz WIEUHALOWYRXBE-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160302 1298231079 /nfs/dbraw/zinc/23/10/79/1298231079.db2.gz WIEUHALOWYRXBE-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCCCN1CCN(C)CC1 ZINC001206591213 1313480741 /nfs/dbraw/zinc/48/07/41/1313480741.db2.gz QWHXHJXPMAOAGP-PZJWPPBQSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCN1CCN(C)CC1 ZINC001206591213 1313480743 /nfs/dbraw/zinc/48/07/43/1313480743.db2.gz QWHXHJXPMAOAGP-PZJWPPBQSA-N 1 3 345.531 2.551 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183329 1298265409 /nfs/dbraw/zinc/26/54/09/1298265409.db2.gz MIJDOLBUOGUPSW-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183329 1298265413 /nfs/dbraw/zinc/26/54/13/1298265413.db2.gz MIJDOLBUOGUPSW-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183274 1298265573 /nfs/dbraw/zinc/26/55/73/1298265573.db2.gz MFKHIVYTIDFSKE-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183274 1298265581 /nfs/dbraw/zinc/26/55/81/1298265581.db2.gz MFKHIVYTIDFSKE-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049918884 1313484428 /nfs/dbraw/zinc/48/44/28/1313484428.db2.gz NFSDICVFTFVMLZ-RCCFBDPRSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188230 1298273329 /nfs/dbraw/zinc/27/33/29/1298273329.db2.gz UORPTTGMTBSNAQ-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188230 1298273336 /nfs/dbraw/zinc/27/33/36/1298273336.db2.gz UORPTTGMTBSNAQ-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188223 1298274055 /nfs/dbraw/zinc/27/40/55/1298274055.db2.gz UORPTTGMTBSNAQ-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188223 1298274065 /nfs/dbraw/zinc/27/40/65/1298274065.db2.gz UORPTTGMTBSNAQ-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188221 1298274212 /nfs/dbraw/zinc/27/42/12/1298274212.db2.gz UORPTTGMTBSNAQ-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188221 1298274220 /nfs/dbraw/zinc/27/42/20/1298274220.db2.gz UORPTTGMTBSNAQ-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188147 1298274318 /nfs/dbraw/zinc/27/43/18/1298274318.db2.gz UJMVTMADVXHSCY-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188147 1298274327 /nfs/dbraw/zinc/27/43/27/1298274327.db2.gz UJMVTMADVXHSCY-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188359 1298274462 /nfs/dbraw/zinc/27/44/62/1298274462.db2.gz VDVKXEOKQYGPKJ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188359 1298274466 /nfs/dbraw/zinc/27/44/66/1298274466.db2.gz VDVKXEOKQYGPKJ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC[NH+]2CCC3)C1 ZINC001017707278 1313486191 /nfs/dbraw/zinc/48/61/91/1313486191.db2.gz YZBINOAMIXZFAD-HDICACEKSA-N 1 3 345.531 2.726 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049921152 1313487173 /nfs/dbraw/zinc/48/71/73/1313487173.db2.gz VJZLFLKUPYZQKK-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049921152 1313487175 /nfs/dbraw/zinc/48/71/75/1313487175.db2.gz VJZLFLKUPYZQKK-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001206653596 1313488508 /nfs/dbraw/zinc/48/85/08/1313488508.db2.gz IBOIYMKSGQHPHM-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001206654365 1313488745 /nfs/dbraw/zinc/48/87/45/1313488745.db2.gz WBBZEOBALXODTF-KRWDZBQOSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001206654366 1313488780 /nfs/dbraw/zinc/48/87/80/1313488780.db2.gz WBBZEOBALXODTF-QGZVFWFLSA-N 1 3 325.541 2.839 20 0 EFADHO COc1ccc(O[C@@H]2CCCN(Cc3ccc(C[NH3+])cc3)C2)nc1 ZINC001236621289 1313499619 /nfs/dbraw/zinc/49/96/19/1313499619.db2.gz IFHXEZXGBPHXNP-GOSISDBHSA-N 1 3 327.428 2.592 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228171 1298367889 /nfs/dbraw/zinc/36/78/89/1298367889.db2.gz GBOZQUSIHITXML-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228171 1298367905 /nfs/dbraw/zinc/36/79/05/1298367905.db2.gz GBOZQUSIHITXML-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000961229124 1298370587 /nfs/dbraw/zinc/37/05/87/1298370587.db2.gz HJUONYQRBQEFHE-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000961229124 1298370595 /nfs/dbraw/zinc/37/05/95/1298370595.db2.gz HJUONYQRBQEFHE-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230029 1298373255 /nfs/dbraw/zinc/37/32/55/1298373255.db2.gz KFIQIHUSLZAWCA-DLBZAZTESA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230029 1298373265 /nfs/dbraw/zinc/37/32/65/1298373265.db2.gz KFIQIHUSLZAWCA-DLBZAZTESA-N 1 3 346.519 2.949 20 0 EFADHO COc1cccc(CN(Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236676436 1313507616 /nfs/dbraw/zinc/50/76/16/1313507616.db2.gz FYAGQZSHLZCGGO-SAABIXHNSA-N 1 3 340.471 2.945 20 0 EFADHO CCOC(=O)c1ccc2c(CN3C[C@@H](C[NH3+])CC[C@@H]3C)c[nH]c2c1 ZINC001206811429 1313514793 /nfs/dbraw/zinc/51/47/93/1313514793.db2.gz UMDOYPJGGGFFEI-UONOGXRCSA-N 1 3 329.444 2.904 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497002 1313520171 /nfs/dbraw/zinc/52/01/71/1313520171.db2.gz PFOMJMLENMNTQL-ICSRJNTNSA-N 1 3 330.520 2.644 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497002 1313520173 /nfs/dbraw/zinc/52/01/73/1313520173.db2.gz PFOMJMLENMNTQL-ICSRJNTNSA-N 1 3 330.520 2.644 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961338001 1298574758 /nfs/dbraw/zinc/57/47/58/1298574758.db2.gz DATUKDZIMHLYPG-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961338001 1298574765 /nfs/dbraw/zinc/57/47/65/1298574765.db2.gz DATUKDZIMHLYPG-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961343339 1298583191 /nfs/dbraw/zinc/58/31/91/1298583191.db2.gz VYCWOLWHBUMXNF-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961343339 1298583196 /nfs/dbraw/zinc/58/31/96/1298583196.db2.gz VYCWOLWHBUMXNF-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376296 1298643791 /nfs/dbraw/zinc/64/37/91/1298643791.db2.gz RLKFFMKLXBYXBW-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961376296 1298643793 /nfs/dbraw/zinc/64/37/93/1298643793.db2.gz RLKFFMKLXBYXBW-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377084 1298646251 /nfs/dbraw/zinc/64/62/51/1298646251.db2.gz XAUKURHTQICINR-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC000961377084 1298646262 /nfs/dbraw/zinc/64/62/62/1298646262.db2.gz XAUKURHTQICINR-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001017790860 1313533410 /nfs/dbraw/zinc/53/34/10/1313533410.db2.gz KZESDGVEFHFMND-OWCVQMPJSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961413331 1298709410 /nfs/dbraw/zinc/70/94/10/1298709410.db2.gz YWWUBUOPDWRPCE-ICSRJNTNSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961413331 1298709416 /nfs/dbraw/zinc/70/94/16/1298709416.db2.gz YWWUBUOPDWRPCE-ICSRJNTNSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415078 1298714940 /nfs/dbraw/zinc/71/49/40/1298714940.db2.gz LQJDIPKVTSQMIM-GOSISDBHSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415078 1298714948 /nfs/dbraw/zinc/71/49/48/1298714948.db2.gz LQJDIPKVTSQMIM-GOSISDBHSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961416747 1298718127 /nfs/dbraw/zinc/71/81/27/1298718127.db2.gz VWAJBCDECGRYLL-GOSISDBHSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961416747 1298718136 /nfs/dbraw/zinc/71/81/36/1298718136.db2.gz VWAJBCDECGRYLL-GOSISDBHSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2CC)CC1 ZINC001206890482 1313541084 /nfs/dbraw/zinc/54/10/84/1313541084.db2.gz UDTLJGWGBMRJGO-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001206890612 1313541277 /nfs/dbraw/zinc/54/12/77/1313541277.db2.gz ZYKUNJAQZQRDJD-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001206890525 1313541411 /nfs/dbraw/zinc/54/14/11/1313541411.db2.gz WISZPICJISGIFO-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(Cc1ccc2[nH]c(C(=O)OC)cc2c1)C[C@H]1CC[NH2+]C1 ZINC001236842652 1313541671 /nfs/dbraw/zinc/54/16/71/1313541671.db2.gz GVOVQWFHNWVPBT-HNNXBMFYSA-N 1 3 329.444 2.776 20 0 EFADHO C[NH+](C)CCN(Cc1c(Cl)cc([O-])cc1Cl)C1CC[NH2+]CC1 ZINC001236919525 1313553017 /nfs/dbraw/zinc/55/30/17/1313553017.db2.gz LHBCOPWJCGHYIJ-UHFFFAOYSA-N 1 3 346.302 2.815 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001206928627 1313557360 /nfs/dbraw/zinc/55/73/60/1313557360.db2.gz CFAZVDWHOKXESC-UHFFFAOYSA-N 1 3 343.515 2.543 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206948908 1313566344 /nfs/dbraw/zinc/56/63/44/1313566344.db2.gz INWVCKJUJWJFEZ-MRXNPFEDSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]C/C=C/Cl)CC2)c1 ZINC001206949189 1313567410 /nfs/dbraw/zinc/56/74/10/1313567410.db2.gz TWRBTDUIIATGPA-RUDMXATFSA-N 1 3 349.906 2.943 20 0 EFADHO O=C(OCCN1CCC(CC2CC[NH2+]CC2)CC1)c1ccccc1 ZINC001236949745 1313559701 /nfs/dbraw/zinc/55/97/01/1313559701.db2.gz YGTHCMGDCHXKDK-UHFFFAOYSA-N 1 3 330.472 2.945 20 0 EFADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951320 1313568831 /nfs/dbraw/zinc/56/88/31/1313568831.db2.gz KFOZEZZTBDYDMQ-SFHVURJKSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2Cc3ccccc3C[C@H]2C[NH3+])c1 ZINC001237026910 1313571985 /nfs/dbraw/zinc/57/19/85/1313571985.db2.gz BTUCUTZMGBGOIP-FQEVSTJZSA-N 1 3 327.447 2.773 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC001278047783 1313580463 /nfs/dbraw/zinc/58/04/63/1313580463.db2.gz HLVYLFLILSQZEQ-CTNGQTDRSA-N 1 3 345.531 2.775 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC001278047783 1313580466 /nfs/dbraw/zinc/58/04/66/1313580466.db2.gz HLVYLFLILSQZEQ-CTNGQTDRSA-N 1 3 345.531 2.775 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222263 1299025751 /nfs/dbraw/zinc/02/57/51/1299025751.db2.gz PTSJOACGKZOWGQ-MRXNPFEDSA-N 1 3 344.503 2.703 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222263 1299025764 /nfs/dbraw/zinc/02/57/64/1299025764.db2.gz PTSJOACGKZOWGQ-MRXNPFEDSA-N 1 3 344.503 2.703 20 0 EFADHO CCOC(=O)CCCN(Cc1ccccc1)CC1(F)CC[NH2+]CC1 ZINC001237078653 1313583290 /nfs/dbraw/zinc/58/32/90/1313583290.db2.gz NADSCJFGJOGIAF-UHFFFAOYSA-N 1 3 336.451 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961828312 1299144178 /nfs/dbraw/zinc/14/41/78/1299144178.db2.gz IFMBPRWUOSAKNC-ACBHZAAOSA-N 1 3 333.520 2.844 20 0 EFADHO Cc1cccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC000961829588 1299145008 /nfs/dbraw/zinc/14/50/08/1299145008.db2.gz PRYUOOZTHKGWNT-SOAGJPPSSA-N 1 3 343.515 2.852 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)C/C=C\Cl)C2)CC1 ZINC001490773477 1299229603 /nfs/dbraw/zinc/22/96/03/1299229603.db2.gz GSEHJEVSMBKEHU-RLXIPRIJSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001490773477 1299229611 /nfs/dbraw/zinc/22/96/11/1299229611.db2.gz GSEHJEVSMBKEHU-RLXIPRIJSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC2CCC(C)CC2)C3)C1 ZINC001017942992 1313605100 /nfs/dbraw/zinc/60/51/00/1313605100.db2.gz XEPSKKSUOIHHNK-KPZODNFCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC2CCC(C)CC2)C3)C1 ZINC001017942992 1313605104 /nfs/dbraw/zinc/60/51/04/1313605104.db2.gz XEPSKKSUOIHHNK-KPZODNFCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961952131 1299267410 /nfs/dbraw/zinc/26/74/10/1299267410.db2.gz BDRZODHOPPGZHZ-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961952131 1299267423 /nfs/dbraw/zinc/26/74/23/1299267423.db2.gz BDRZODHOPPGZHZ-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957214 1299272209 /nfs/dbraw/zinc/27/22/09/1299272209.db2.gz KTAMIXDCBCOYCK-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957214 1299272216 /nfs/dbraw/zinc/27/22/16/1299272216.db2.gz KTAMIXDCBCOYCK-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCNC2=CCCC[C@H]21 ZINC001237225999 1313609556 /nfs/dbraw/zinc/60/95/56/1313609556.db2.gz SMUKTPUZQVQZQF-MRXNPFEDSA-N 1 3 332.517 2.760 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000851809544 1299410126 /nfs/dbraw/zinc/41/01/26/1299410126.db2.gz RRQLZLINSDKBGA-FGTMMUONSA-N 1 3 338.492 2.649 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000851809544 1299410132 /nfs/dbraw/zinc/41/01/32/1299410132.db2.gz RRQLZLINSDKBGA-FGTMMUONSA-N 1 3 338.492 2.649 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000851913366 1299464528 /nfs/dbraw/zinc/46/45/28/1299464528.db2.gz WFJLKNDJLMJZAC-ILZDJORESA-N 1 3 325.456 2.615 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109049 1299551903 /nfs/dbraw/zinc/55/19/03/1299551903.db2.gz TZEDOSOWMYPZKS-APWZRJJASA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109049 1299551909 /nfs/dbraw/zinc/55/19/09/1299551909.db2.gz TZEDOSOWMYPZKS-APWZRJJASA-N 1 3 337.508 2.661 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000962304740 1299565374 /nfs/dbraw/zinc/56/53/74/1299565374.db2.gz CYBUKORDQCIECP-NXVRBGIVSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000962305249 1299565480 /nfs/dbraw/zinc/56/54/80/1299565480.db2.gz FGYOFYWTCCGCBF-PGYGNJIDSA-N 1 3 343.515 2.772 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]Cc3ccccc3F)C2)C1 ZINC000962305714 1299566425 /nfs/dbraw/zinc/56/64/25/1299566425.db2.gz MFISBQYTYHAWHF-UHFFFAOYSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000962308514 1299570838 /nfs/dbraw/zinc/57/08/38/1299570838.db2.gz GNRHAIYJQLEJOH-MXWWQKGMSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000962310545 1299573157 /nfs/dbraw/zinc/57/31/57/1299573157.db2.gz YALBDOARAKKRQP-PPDQVPDSSA-N 1 3 343.515 2.630 20 0 EFADHO C[NH+](C)CCN1CCN(C[C@H]2C[C@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207191690 1313634097 /nfs/dbraw/zinc/63/40/97/1313634097.db2.gz NCDKBLUXZSGUDO-AEFFLSMTSA-N 1 3 349.906 2.539 20 0 EFADHO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000852293021 1299636399 /nfs/dbraw/zinc/63/63/99/1299636399.db2.gz IOWOXSASWZBZQZ-QGZVFWFLSA-N 1 3 346.519 2.887 20 0 EFADHO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000852293021 1299636405 /nfs/dbraw/zinc/63/64/05/1299636405.db2.gz IOWOXSASWZBZQZ-QGZVFWFLSA-N 1 3 346.519 2.887 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000962384947 1299647991 /nfs/dbraw/zinc/64/79/91/1299647991.db2.gz KANMDFDKEUZSLI-ACBHZAAOSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962384962 1299648521 /nfs/dbraw/zinc/64/85/21/1299648521.db2.gz KQOXDDWQOVKAMK-DAWZGUTISA-N 1 3 349.544 2.995 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2cccc(Cl)c2C)CCC12C[NH2+]C2 ZINC001237429659 1313643339 /nfs/dbraw/zinc/64/33/39/1313643339.db2.gz GXPXDJMOQCMQJN-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2Cl)CCC12C[NH2+]C2 ZINC001237436552 1313644520 /nfs/dbraw/zinc/64/45/20/1313644520.db2.gz OXHVEWCOYSLBHD-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO F[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[C@@H]1N1CCCCC1 ZINC001237457634 1313648060 /nfs/dbraw/zinc/64/80/60/1313648060.db2.gz YIPGWUCVRGEVAS-PMACEKPBSA-N 1 3 331.479 2.731 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018027584 1313648549 /nfs/dbraw/zinc/64/85/49/1313648549.db2.gz XCLRELAMGBDYDY-HCXYKTFWSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CC(=O)N(C)c1ccccc12 ZINC001207281637 1313650955 /nfs/dbraw/zinc/65/09/55/1313650955.db2.gz GQGYMEHEZJAEFJ-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001207281649 1313651066 /nfs/dbraw/zinc/65/10/66/1313651066.db2.gz HCKZKXJIGRITSM-HZPDHXFCSA-N 1 3 336.549 2.627 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001207281649 1313651069 /nfs/dbraw/zinc/65/10/69/1313651069.db2.gz HCKZKXJIGRITSM-HZPDHXFCSA-N 1 3 336.549 2.627 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000962597770 1299854300 /nfs/dbraw/zinc/85/43/00/1299854300.db2.gz KJJWAUGFLLNWOO-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000962598463 1299855761 /nfs/dbraw/zinc/85/57/61/1299855761.db2.gz PFWKAVSUAHMKCE-UHFFFAOYSA-N 1 3 346.519 2.961 20 0 EFADHO CCOC[C@@H]1COCCC12CCN(CC(C)(C)C[NH+](C)C)CC2 ZINC001207282149 1313652218 /nfs/dbraw/zinc/65/22/18/1313652218.db2.gz MYSGNFGDKWOGPL-QGZVFWFLSA-N 1 3 326.525 2.729 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC000962604000 1299864873 /nfs/dbraw/zinc/86/48/73/1299864873.db2.gz YPOJIRSGZSEGGU-KTAKPFMOSA-N 1 3 326.444 2.506 20 0 EFADHO CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207283090 1313652287 /nfs/dbraw/zinc/65/22/87/1313652287.db2.gz RGBGYWVNLWUTCU-HNNXBMFYSA-N 1 3 327.513 2.763 20 0 EFADHO CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C[NH+](C)C ZINC001207286415 1313652626 /nfs/dbraw/zinc/65/26/26/1313652626.db2.gz RGBGYWVNLWUTCU-OAHLLOKOSA-N 1 3 327.513 2.763 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)CC(C)(C)C[NH+](C)C ZINC001207287836 1313653300 /nfs/dbraw/zinc/65/33/00/1313653300.db2.gz GUKNCOJCQDMLCC-MRXNPFEDSA-N 1 3 330.513 2.645 20 0 EFADHO CN(CC(C)(C)N1CCOCC1)C1CC[NH+](C2CCCCC2)CC1 ZINC001207308156 1313656458 /nfs/dbraw/zinc/65/64/58/1313656458.db2.gz URJDMHHLKWXJEA-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051809 1313659827 /nfs/dbraw/zinc/65/98/27/1313659827.db2.gz JBGYXCNJRSUKMK-AKHDSKFASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051809 1313659831 /nfs/dbraw/zinc/65/98/31/1313659831.db2.gz JBGYXCNJRSUKMK-AKHDSKFASA-N 1 3 333.520 2.725 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2 ZINC001207317402 1313657541 /nfs/dbraw/zinc/65/75/41/1313657541.db2.gz FAJMYPLIGHMOHL-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000962808069 1300084732 /nfs/dbraw/zinc/08/47/32/1300084732.db2.gz HWIYCHCDUMTAEL-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000962808767 1300087144 /nfs/dbraw/zinc/08/71/44/1300087144.db2.gz PUXCAZIGYREMNV-ACBHZAAOSA-N 1 3 333.520 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC000962810479 1300089466 /nfs/dbraw/zinc/08/94/66/1300089466.db2.gz ZUYODWLXARWCLP-KVWWFHCMSA-N 1 3 347.478 2.685 20 0 EFADHO CCn1c2ccccc2nc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207401677 1313676565 /nfs/dbraw/zinc/67/65/65/1313676565.db2.gz RFEWXMVESBAFMG-UHFFFAOYSA-N 1 3 341.503 2.520 20 0 EFADHO COc1cccc(C(=O)C2CC[NH+](CC3CCN(C)CC3)CC2)c1 ZINC001207393935 1313673313 /nfs/dbraw/zinc/67/33/13/1313673313.db2.gz FZPFPCYABPCVCH-UHFFFAOYSA-N 1 3 330.472 2.932 20 0 EFADHO c1csc(C[NH+]2CCC3(CCN(Cc4nnc[nH]4)CC3)CC2)c1 ZINC001237600842 1313674275 /nfs/dbraw/zinc/67/42/75/1313674275.db2.gz QHXCOUKOFTWLEB-UHFFFAOYSA-N 1 3 331.489 2.744 20 0 EFADHO c1nnc(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC001237602490 1313674301 /nfs/dbraw/zinc/67/43/01/1313674301.db2.gz UEKGRAPZPRZEFV-UHFFFAOYSA-N 1 3 325.460 2.683 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963158421 1300378265 /nfs/dbraw/zinc/37/82/65/1300378265.db2.gz XWHDSVSGYSBLLL-JCYILVPMSA-N 1 3 335.517 2.702 20 0 EFADHO C[NH+]1CCC(CCN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001207481418 1313696606 /nfs/dbraw/zinc/69/66/06/1313696606.db2.gz GFYNJDVPODVYFT-UHFFFAOYSA-N 1 3 337.508 2.661 20 0 EFADHO C[NH+]1CCC(CCN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001207481478 1313696767 /nfs/dbraw/zinc/69/67/67/1313696767.db2.gz IHQQEANDHDEHPR-IAGOWNOFSA-N 1 3 337.508 2.660 20 0 EFADHO CN(CC1CN(CCC2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC001207482459 1313697333 /nfs/dbraw/zinc/69/73/33/1313697333.db2.gz XBHGYFWJOGRHKS-UHFFFAOYSA-N 1 3 325.497 2.517 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](Cc3cccc4c3OCC4)C2)C1 ZINC001237741204 1313699151 /nfs/dbraw/zinc/69/91/51/1313699151.db2.gz CUWMZDBIULYBLK-OAQYLSRUSA-N 1 3 344.499 2.944 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](Cc3cccc4c3OCC4)C2)C1 ZINC001237741204 1313699153 /nfs/dbraw/zinc/69/91/53/1313699153.db2.gz CUWMZDBIULYBLK-OAQYLSRUSA-N 1 3 344.499 2.944 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)CCC1 ZINC000963313309 1300574678 /nfs/dbraw/zinc/57/46/78/1300574678.db2.gz FXPGRXCUGDTLSG-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC3CC3)C2)CCC1 ZINC000963313309 1300574687 /nfs/dbraw/zinc/57/46/87/1300574687.db2.gz FXPGRXCUGDTLSG-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314702 1300577734 /nfs/dbraw/zinc/57/77/34/1300577734.db2.gz OKFRXOSGXXAYHD-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314702 1300577743 /nfs/dbraw/zinc/57/77/43/1300577743.db2.gz OKFRXOSGXXAYHD-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314908 1300578083 /nfs/dbraw/zinc/57/80/83/1300578083.db2.gz PXIRTIZICZGCFJ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314908 1300578086 /nfs/dbraw/zinc/57/80/86/1300578086.db2.gz PXIRTIZICZGCFJ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364985 1300696799 /nfs/dbraw/zinc/69/67/99/1300696799.db2.gz DZGMUECXXXDLPG-FUHWJXTLSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364985 1300696807 /nfs/dbraw/zinc/69/68/07/1300696807.db2.gz DZGMUECXXXDLPG-FUHWJXTLSA-N 1 3 330.476 2.621 20 0 EFADHO O=c1cc[nH]cc1C[N@@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC001237841443 1313717553 /nfs/dbraw/zinc/71/75/53/1313717553.db2.gz XFJMXZYBTBLQBB-UHFFFAOYSA-N 1 3 337.467 2.863 20 0 EFADHO O=c1cc[nH]cc1C[N@H+]1CCC2(C1)CCN(Cc1ccccc1)CC2 ZINC001237841443 1313717557 /nfs/dbraw/zinc/71/75/57/1313717557.db2.gz XFJMXZYBTBLQBB-UHFFFAOYSA-N 1 3 337.467 2.863 20 0 EFADHO COc1cc(-c2ccc[nH]2)[nH]c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001237882439 1313725632 /nfs/dbraw/zinc/72/56/32/1313725632.db2.gz OBXIPPKXJVFGJW-UHFFFAOYSA-N 1 3 328.460 2.936 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC001207617351 1313730096 /nfs/dbraw/zinc/73/00/96/1313730096.db2.gz RNMBAQCWNRYSPU-ZTFGCOKTSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001207617351 1313730097 /nfs/dbraw/zinc/73/00/97/1313730097.db2.gz RNMBAQCWNRYSPU-ZTFGCOKTSA-N 1 3 349.544 2.867 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCCCc1ccccc1)CC2 ZINC001207613130 1313730401 /nfs/dbraw/zinc/73/04/01/1313730401.db2.gz HPFXBKWRAGETKQ-UHFFFAOYSA-N 1 3 343.515 2.686 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(CCCCc1ccccc1)CC2 ZINC001207613130 1313730404 /nfs/dbraw/zinc/73/04/04/1313730404.db2.gz HPFXBKWRAGETKQ-UHFFFAOYSA-N 1 3 343.515 2.686 20 0 EFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207643749 1313738450 /nfs/dbraw/zinc/73/84/50/1313738450.db2.gz KZCCNJWZAPCQKL-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207643749 1313738451 /nfs/dbraw/zinc/73/84/51/1313738451.db2.gz KZCCNJWZAPCQKL-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO CCCN(CCN[C@@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246272863 1301028381 /nfs/dbraw/zinc/02/83/81/1301028381.db2.gz ATECENPRKDJDSI-HZPDHXFCSA-N 1 3 327.513 2.953 20 0 EFADHO CCCN(CCN[C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246272863 1301028394 /nfs/dbraw/zinc/02/83/94/1301028394.db2.gz ATECENPRKDJDSI-HZPDHXFCSA-N 1 3 327.513 2.953 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000963788946 1301315990 /nfs/dbraw/zinc/31/59/90/1301315990.db2.gz ULJSRHSJCKNLTR-WZXTXQKWSA-N 1 3 333.520 2.676 20 0 EFADHO CC[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963901889 1301452652 /nfs/dbraw/zinc/45/26/52/1301452652.db2.gz BDIRLVZDRTWMFH-JTTJXQCZSA-N 1 3 327.488 2.578 20 0 EFADHO Cc1cc(C[NH2+]C2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC000963954510 1301514941 /nfs/dbraw/zinc/51/49/41/1301514941.db2.gz BIAOABWTDXRIBS-UHFFFAOYSA-N 1 3 346.500 2.882 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000859760119 1301567031 /nfs/dbraw/zinc/56/70/31/1301567031.db2.gz UYKFXJQGHHNERY-UHFFFAOYSA-N 1 3 346.475 2.553 20 0 EFADHO CC(C)CC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502019 1301624986 /nfs/dbraw/zinc/62/49/86/1301624986.db2.gz AGASUTMNJGEWKI-LJQANCHMSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502442 1301658843 /nfs/dbraw/zinc/65/88/43/1301658843.db2.gz CIAQFSFGFJMKTL-GOSISDBHSA-N 1 3 327.488 2.580 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207853416 1313789577 /nfs/dbraw/zinc/78/95/77/1313789577.db2.gz OWWNLIHEUSESCM-VQTJNVASSA-N 1 3 344.499 2.921 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859893 1313790357 /nfs/dbraw/zinc/79/03/57/1313790357.db2.gz ZZHYJWWFSCXUNK-KZNAEPCWSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859893 1313790360 /nfs/dbraw/zinc/79/03/60/1313790360.db2.gz ZZHYJWWFSCXUNK-KZNAEPCWSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859894 1313790549 /nfs/dbraw/zinc/79/05/49/1313790549.db2.gz ZZHYJWWFSCXUNK-RCCFBDPRSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859894 1313790552 /nfs/dbraw/zinc/79/05/52/1313790552.db2.gz ZZHYJWWFSCXUNK-RCCFBDPRSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202504242 1301768773 /nfs/dbraw/zinc/76/87/73/1301768773.db2.gz SDHDJCPFWCFOQL-KDOFPFPSSA-N 1 3 345.478 2.528 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C[C@H]4COC(C)(C)O4)C[C@@H]3C2)cc1 ZINC001207923148 1313803587 /nfs/dbraw/zinc/80/35/87/1313803587.db2.gz FMBIPKBKQQVDDP-OTWHNJEPSA-N 1 3 330.472 2.510 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C[C@H]4COC(C)(C)O4)C[C@@H]3C2)cc1 ZINC001207923148 1313803590 /nfs/dbraw/zinc/80/35/90/1313803590.db2.gz FMBIPKBKQQVDDP-OTWHNJEPSA-N 1 3 330.472 2.510 20 0 EFADHO c1cncc(CN2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)c1 ZINC001207960076 1313811908 /nfs/dbraw/zinc/81/19/08/1313811908.db2.gz ZMAIHUSZVXDMTG-IBGZPJMESA-N 1 3 329.488 2.939 20 0 EFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ncc1Cl ZINC001238424760 1313816685 /nfs/dbraw/zinc/81/66/85/1313816685.db2.gz ARLHGGXJGDCACA-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO C[C@@H](F)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208048225 1313833838 /nfs/dbraw/zinc/83/38/38/1313833838.db2.gz DPKGANMXSFFYGO-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000862483820 1302396124 /nfs/dbraw/zinc/39/61/24/1302396124.db2.gz ZBFCTEWFGVNYKH-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000862483818 1302396895 /nfs/dbraw/zinc/39/68/95/1302396895.db2.gz ZBFCTEWFGVNYKH-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO C[NH+]1CCC(C)(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001208106164 1313848256 /nfs/dbraw/zinc/84/82/56/1313848256.db2.gz CLKMZRNJHHXISZ-JKSUJKDBSA-N 1 3 333.501 2.660 20 0 EFADHO C[NH+]1CCC(C)(CN2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208109679 1313849620 /nfs/dbraw/zinc/84/96/20/1313849620.db2.gz OAQYECBMZJDMIJ-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO C[NH+]1CCC(C)(CN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001208111096 1313849832 /nfs/dbraw/zinc/84/98/32/1313849832.db2.gz BDODLIKCORABSH-LBPRGKRZSA-N 1 3 346.397 3.000 20 0 EFADHO C[NH+]1CCC(C)(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208113460 1313850509 /nfs/dbraw/zinc/85/05/09/1313850509.db2.gz JECQYELYPGHQJK-HUUCEWRRSA-N 1 3 343.487 2.655 20 0 EFADHO CCOc1ccc(C)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC001238714815 1313857012 /nfs/dbraw/zinc/85/70/12/1313857012.db2.gz UXQDJBKQWUECDA-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC[C@@H](C)SC)C2 ZINC001208141486 1313855289 /nfs/dbraw/zinc/85/52/89/1313855289.db2.gz KDEHHOCCSYSFJN-NJAFHUGGSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC[C@@H](C)SC)C2 ZINC001208141486 1313855291 /nfs/dbraw/zinc/85/52/91/1313855291.db2.gz KDEHHOCCSYSFJN-NJAFHUGGSA-N 1 3 326.550 2.808 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172026 1313860845 /nfs/dbraw/zinc/86/08/45/1313860845.db2.gz BCSQDFOWOPXCFJ-UEDWAMCQSA-N 1 3 343.519 2.665 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172026 1313860847 /nfs/dbraw/zinc/86/08/47/1313860847.db2.gz BCSQDFOWOPXCFJ-UEDWAMCQSA-N 1 3 343.519 2.665 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172025 1313860999 /nfs/dbraw/zinc/86/09/99/1313860999.db2.gz BCSQDFOWOPXCFJ-RMMWZPCPSA-N 1 3 343.519 2.665 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172025 1313861002 /nfs/dbraw/zinc/86/10/02/1313861002.db2.gz BCSQDFOWOPXCFJ-RMMWZPCPSA-N 1 3 343.519 2.665 20 0 EFADHO C[NH+](C)CC1(CN2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)CCCC1 ZINC001208186859 1313864654 /nfs/dbraw/zinc/86/46/54/1313864654.db2.gz ZLUHZJAVMDNSDK-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CCO[C@H]1CCN(CC2(C[NH+](C)C)CCCC2)[C@H]1Cc1cnn(C)c1 ZINC001208187150 1313864822 /nfs/dbraw/zinc/86/48/22/1313864822.db2.gz RAEWGGBYQPMLKQ-OALUTQOASA-N 1 3 348.535 2.564 20 0 EFADHO COc1ccc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188815 1313865358 /nfs/dbraw/zinc/86/53/58/1313865358.db2.gz NTXAUWSLPODHFU-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO COc1ccc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188815 1313865360 /nfs/dbraw/zinc/86/53/60/1313865360.db2.gz NTXAUWSLPODHFU-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO C[NH+](C)CC1(CN2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CCCC1 ZINC001208191621 1313865985 /nfs/dbraw/zinc/86/59/85/1313865985.db2.gz MJRQMIIHHFSDQK-QUCCMNQESA-N 1 3 336.520 2.768 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCC1)C2 ZINC000965063175 1302785337 /nfs/dbraw/zinc/78/53/37/1302785337.db2.gz LFUHGLKFSQRZBE-WIOLVWRCSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCCCC2)C3)C1 ZINC000965063161 1302785521 /nfs/dbraw/zinc/78/55/21/1302785521.db2.gz KUTMRXPBJSTKEF-GICSWVMSSA-N 1 3 347.547 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC000965065724 1302789403 /nfs/dbraw/zinc/78/94/03/1302789403.db2.gz ZLJYLTHHDGSSDG-DINHVVTCSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H](Cc1ccc2c(c1)OCO2)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001208212485 1313870780 /nfs/dbraw/zinc/87/07/80/1313870780.db2.gz JCJFYWXQPXVRNL-INIZCTEOSA-N 1 3 339.439 2.811 20 0 EFADHO CCC[NH+]1C[C@@H]2CN(C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224748 1313874306 /nfs/dbraw/zinc/87/43/06/1313874306.db2.gz IGDJSIVDVDOHEP-CGTJXYLNSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C[C@@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224748 1313874307 /nfs/dbraw/zinc/87/43/07/1313874307.db2.gz IGDJSIVDVDOHEP-CGTJXYLNSA-N 1 3 330.472 2.868 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1)C1CC1 ZINC001208334067 1313902320 /nfs/dbraw/zinc/90/23/20/1313902320.db2.gz DZMIBFRSHINANR-QZTJIDSGSA-N 1 3 349.544 2.602 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)C1CC1 ZINC001208335193 1313902820 /nfs/dbraw/zinc/90/28/20/1313902820.db2.gz RWYZQHALJYUKFW-UXHICEINSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001208335542 1313902950 /nfs/dbraw/zinc/90/29/50/1313902950.db2.gz VNQSCKIYWDUGND-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000865759788 1303389032 /nfs/dbraw/zinc/38/90/32/1303389032.db2.gz RHVIZJSWZRSIIF-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865759788 1303389039 /nfs/dbraw/zinc/38/90/39/1303389039.db2.gz RHVIZJSWZRSIIF-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000865759788 1303389044 /nfs/dbraw/zinc/38/90/44/1303389044.db2.gz RHVIZJSWZRSIIF-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000865801346 1303406284 /nfs/dbraw/zinc/40/62/84/1303406284.db2.gz VUEYUMIVLIKBAX-VQTJNVASSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000865801346 1303406290 /nfs/dbraw/zinc/40/62/90/1303406290.db2.gz VUEYUMIVLIKBAX-VQTJNVASSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC000965886620 1303408628 /nfs/dbraw/zinc/40/86/28/1303408628.db2.gz QNFPNGXSBPPMIU-UHFFFAOYSA-N 1 3 344.503 2.714 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[C@@H]1CCCN1C1CCCC1 ZINC001097218615 1313914829 /nfs/dbraw/zinc/91/48/29/1313914829.db2.gz HYKNUNFSHBUWIV-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[C@@H]1CCCN1C1CCCC1 ZINC001097218615 1313914831 /nfs/dbraw/zinc/91/48/31/1313914831.db2.gz HYKNUNFSHBUWIV-ZRNYENFQSA-N 1 3 345.531 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965933168 1303466385 /nfs/dbraw/zinc/46/63/85/1303466385.db2.gz QKVRMEHONZCNTM-WZXTXQKWSA-N 1 3 333.520 2.678 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097218953 1313914208 /nfs/dbraw/zinc/91/42/08/1313914208.db2.gz NMJNPYSUJQELQK-YRXWBPOGSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097218953 1313914210 /nfs/dbraw/zinc/91/42/10/1313914210.db2.gz NMJNPYSUJQELQK-YRXWBPOGSA-N 1 3 333.520 2.771 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)[C@H]1CCCN1C1CCCC1 ZINC001097218614 1313914631 /nfs/dbraw/zinc/91/46/31/1313914631.db2.gz HYKNUNFSHBUWIV-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)[C@H]1CCCN1C1CCCC1 ZINC001097218614 1313914635 /nfs/dbraw/zinc/91/46/35/1313914635.db2.gz HYKNUNFSHBUWIV-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001208414623 1313923788 /nfs/dbraw/zinc/92/37/88/1313923788.db2.gz UFXAQGPICFCUPH-WOJBJXKFSA-N 1 3 345.531 2.930 20 0 EFADHO CN(C)CCN(C(=O)Nc1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC001239307750 1313923891 /nfs/dbraw/zinc/92/38/91/1313923891.db2.gz HSTMJWXVWBMWIN-QGZVFWFLSA-N 1 3 340.471 2.987 20 0 EFADHO CN(C)CCN(C(=O)Oc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001239340275 1313926841 /nfs/dbraw/zinc/92/68/41/1313926841.db2.gz OTQNNMMYSGAIBF-GOSISDBHSA-N 1 3 341.455 2.954 20 0 EFADHO Cc1cc(C)c(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239362246 1313929593 /nfs/dbraw/zinc/92/95/93/1313929593.db2.gz JCVGFYHTXFCTCS-INIZCTEOSA-N 1 3 346.544 2.772 20 0 EFADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc(Cl)c1 ZINC001239363679 1313929633 /nfs/dbraw/zinc/92/96/33/1313929633.db2.gz RLLAMLCMNCJXEC-AWEZNQCLSA-N 1 3 338.908 2.501 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001208444487 1313929996 /nfs/dbraw/zinc/92/99/96/1313929996.db2.gz CZWZLELYFKRNGH-CXAGYDPISA-N 1 3 337.533 2.643 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001208446938 1313930251 /nfs/dbraw/zinc/93/02/51/1313930251.db2.gz DIZUNVRCUZLJLZ-GJZGRUSLSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001208453054 1313932247 /nfs/dbraw/zinc/93/22/47/1313932247.db2.gz AAEKNTVHKVGRLQ-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CC1 ZINC001037858807 1303754595 /nfs/dbraw/zinc/75/45/95/1303754595.db2.gz YJNBGJZZMGAMGF-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001208515260 1313950175 /nfs/dbraw/zinc/95/01/75/1313950175.db2.gz GEAYSDLQZFWJSM-KBAYOESNSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001208515260 1313950178 /nfs/dbraw/zinc/95/01/78/1313950178.db2.gz GEAYSDLQZFWJSM-KBAYOESNSA-N 1 3 335.536 2.589 20 0 EFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208515568 1313950389 /nfs/dbraw/zinc/95/03/89/1313950389.db2.gz UHOWIROGZWMVDH-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208515568 1313950392 /nfs/dbraw/zinc/95/03/92/1313950392.db2.gz UHOWIROGZWMVDH-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)N(C)C ZINC001208530335 1313953641 /nfs/dbraw/zinc/95/36/41/1313953641.db2.gz QFWNVCBVZSJXNB-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)N(C)C ZINC001208530335 1313953644 /nfs/dbraw/zinc/95/36/44/1313953644.db2.gz QFWNVCBVZSJXNB-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001208530292 1313953760 /nfs/dbraw/zinc/95/37/60/1313953760.db2.gz OIIIXCHFYHFLPP-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001208530292 1313953762 /nfs/dbraw/zinc/95/37/62/1313953762.db2.gz OIIIXCHFYHFLPP-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)Nc3ccc4c(c3)CNC4)CC2)CC1 ZINC000868166154 1304166188 /nfs/dbraw/zinc/16/61/88/1304166188.db2.gz BVRBVKBHDYXYOX-UHFFFAOYSA-N 1 3 328.460 2.630 20 0 EFADHO CN(C)[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000868188609 1304178426 /nfs/dbraw/zinc/17/84/26/1304178426.db2.gz GAPXPVHKXFEWMY-IPMKNSEASA-N 1 3 338.455 2.926 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)C1CCC1 ZINC001114414004 1304186685 /nfs/dbraw/zinc/18/66/85/1304186685.db2.gz KPGHPVTYENWWLH-KXTWHKPSSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)C1CCC1 ZINC001114414004 1304186692 /nfs/dbraw/zinc/18/66/92/1304186692.db2.gz KPGHPVTYENWWLH-KXTWHKPSSA-N 1 3 347.547 2.878 20 0 EFADHO COC(=O)c1ccc(OC2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208606932 1313976383 /nfs/dbraw/zinc/97/63/83/1313976383.db2.gz IXXOBXYXRLIUIP-MRXNPFEDSA-N 1 3 346.471 2.658 20 0 EFADHO COC(=O)c1ccc(OC2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208606932 1313976387 /nfs/dbraw/zinc/97/63/87/1313976387.db2.gz IXXOBXYXRLIUIP-MRXNPFEDSA-N 1 3 346.471 2.658 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208607928 1313977397 /nfs/dbraw/zinc/97/73/97/1313977397.db2.gz NXLVPNJGKWFHQY-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208607928 1313977401 /nfs/dbraw/zinc/97/74/01/1313977401.db2.gz NXLVPNJGKWFHQY-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C[C@@H]4CCC[N@@H+](C)C4)C3)CC2=O)s1 ZINC001208611499 1313978272 /nfs/dbraw/zinc/97/82/72/1313978272.db2.gz DSFUASHQRWTCOQ-APWZRJJASA-N 1 3 347.528 2.827 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C[C@@H]4CCC[N@H+](C)C4)C3)CC2=O)s1 ZINC001208611499 1313978273 /nfs/dbraw/zinc/97/82/73/1313978273.db2.gz DSFUASHQRWTCOQ-APWZRJJASA-N 1 3 347.528 2.827 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001208611301 1313978476 /nfs/dbraw/zinc/97/84/76/1313978476.db2.gz BNFRHQPPSZJILL-QGZVFWFLSA-N 1 3 336.483 2.886 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCc3ncnc(-c4ccccc4)c3CC2)C1 ZINC001208611301 1313978480 /nfs/dbraw/zinc/97/84/80/1313978480.db2.gz BNFRHQPPSZJILL-QGZVFWFLSA-N 1 3 336.483 2.886 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018633753 1313979485 /nfs/dbraw/zinc/97/94/85/1313979485.db2.gz CQHIAGJVTHGXKN-PKOBYXMFSA-N 1 3 329.488 2.595 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1)CC(C)(C)C ZINC001202526194 1304363713 /nfs/dbraw/zinc/36/37/13/1304363713.db2.gz AHADVCOVQXMRHN-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208618668 1313982450 /nfs/dbraw/zinc/98/24/50/1313982450.db2.gz RAVRKGXJGJOTSP-KRWDZBQOSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618668 1313982452 /nfs/dbraw/zinc/98/24/52/1313982452.db2.gz RAVRKGXJGJOTSP-KRWDZBQOSA-N 1 3 329.488 2.565 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2)nc1C ZINC000150980146 1304569380 /nfs/dbraw/zinc/56/93/80/1304569380.db2.gz OJDSSIAFISNOGI-IBGZPJMESA-N 1 3 330.476 2.627 20 0 EFADHO C[NH+](C)CCN1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208686761 1313994298 /nfs/dbraw/zinc/99/42/98/1313994298.db2.gz QMHRIFMYTPBZPR-UHFFFAOYSA-N 1 3 343.437 2.817 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114438429 1304634110 /nfs/dbraw/zinc/63/41/10/1304634110.db2.gz BOAIYDKOQWKFAK-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114438429 1304634117 /nfs/dbraw/zinc/63/41/17/1304634117.db2.gz BOAIYDKOQWKFAK-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO COC(=O)[C@H](C)C[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001208713248 1314000634 /nfs/dbraw/zinc/00/06/34/1314000634.db2.gz OCZBTIKPWMUKJG-NVXWUHKLSA-N 1 3 334.460 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114442419 1304694030 /nfs/dbraw/zinc/69/40/30/1304694030.db2.gz GVFXCFUUMKFLOJ-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114442419 1304694036 /nfs/dbraw/zinc/69/40/36/1304694036.db2.gz GVFXCFUUMKFLOJ-MANSERQUSA-N 1 3 335.536 2.589 20 0 EFADHO CN1CCN(Cc2cccc(-c3ccc([C@@H]4CCC[NH2+]4)cn3)c2)CC1 ZINC001240283221 1314014262 /nfs/dbraw/zinc/01/42/62/1314014262.db2.gz IBTVTZVRSDFUKY-FQEVSTJZSA-N 1 3 336.483 2.921 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(C)c1 ZINC001037935125 1304972417 /nfs/dbraw/zinc/97/24/17/1304972417.db2.gz PCLPEYTVOQZUIG-HKUYNNGSSA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097405783 1314037561 /nfs/dbraw/zinc/03/75/61/1314037561.db2.gz RBLSODBAEJKSAS-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1CC(C)C)C2 ZINC001097405783 1314037565 /nfs/dbraw/zinc/03/75/65/1314037565.db2.gz RBLSODBAEJKSAS-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870190835 1305198627 /nfs/dbraw/zinc/19/86/27/1305198627.db2.gz HHLXMPYECUQBDW-IBGZPJMESA-N 1 3 343.515 2.641 20 0 EFADHO Fc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1CN1CCCC1 ZINC001240491605 1314040787 /nfs/dbraw/zinc/04/07/87/1314040787.db2.gz LNUHYRPGDJMCHL-UHFFFAOYSA-N 1 3 340.446 2.893 20 0 EFADHO Cc1ccc2[nH]c(CN3CCCC4(CN(CC[NH+](C)C)C4)C3)cc2c1 ZINC001276597761 1314043056 /nfs/dbraw/zinc/04/30/56/1314043056.db2.gz PXCKDEGVKIACRS-UHFFFAOYSA-N 1 3 340.515 2.936 20 0 EFADHO CCC(=O)C(C)(C)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001208915234 1314045346 /nfs/dbraw/zinc/04/53/46/1314045346.db2.gz GZAZTCMHTWGVRZ-XLIONFOSSA-N 1 3 336.520 2.672 20 0 EFADHO CCC(=O)C(C)(C)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001208915234 1314045347 /nfs/dbraw/zinc/04/53/47/1314045347.db2.gz GZAZTCMHTWGVRZ-XLIONFOSSA-N 1 3 336.520 2.672 20 0 EFADHO CCN(CCN1CCOCC1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938679 1314051529 /nfs/dbraw/zinc/05/15/29/1314051529.db2.gz DCHMAYHDWJINLZ-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO CCN(CCN1CCOCC1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938679 1314051533 /nfs/dbraw/zinc/05/15/33/1314051533.db2.gz DCHMAYHDWJINLZ-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C(C)C)C[C@H]21)N(C)C ZINC001114463367 1305414108 /nfs/dbraw/zinc/41/41/08/1305414108.db2.gz HVFRKTYVJZNBSY-WCIQWLHISA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C(C)C)C[C@H]21)N(C)C ZINC001114463367 1305414119 /nfs/dbraw/zinc/41/41/19/1305414119.db2.gz HVFRKTYVJZNBSY-WCIQWLHISA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114464027 1305414621 /nfs/dbraw/zinc/41/46/21/1305414621.db2.gz OTILLAGXOWIDGV-HCXYKTFWSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114464027 1305414632 /nfs/dbraw/zinc/41/46/32/1305414632.db2.gz OTILLAGXOWIDGV-HCXYKTFWSA-N 1 3 335.536 2.734 20 0 EFADHO OCC[C@H]1CC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941850 1314052976 /nfs/dbraw/zinc/05/29/76/1314052976.db2.gz NKNKUAAKFPYCCO-PMACEKPBSA-N 1 3 328.500 2.993 20 0 EFADHO OCC[C@H]1CC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941850 1314052978 /nfs/dbraw/zinc/05/29/78/1314052978.db2.gz NKNKUAAKFPYCCO-PMACEKPBSA-N 1 3 328.500 2.993 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942101 1314053370 /nfs/dbraw/zinc/05/33/70/1314053370.db2.gz GORFZNSGFADDTR-SFTDATJTSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942101 1314053373 /nfs/dbraw/zinc/05/33/73/1314053373.db2.gz GORFZNSGFADDTR-SFTDATJTSA-N 1 3 343.515 2.841 20 0 EFADHO FC1(F)CN(C2CCN(C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208952797 1314056085 /nfs/dbraw/zinc/05/60/85/1314056085.db2.gz LVOVSZVQICTXPL-SFHVURJKSA-N 1 3 349.469 2.924 20 0 EFADHO FC1(F)CN(C2CCN(C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208952797 1314056088 /nfs/dbraw/zinc/05/60/88/1314056088.db2.gz LVOVSZVQICTXPL-SFHVURJKSA-N 1 3 349.469 2.924 20 0 EFADHO CCOCC[NH+](CCOCC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208952350 1314056639 /nfs/dbraw/zinc/05/66/39/1314056639.db2.gz IZPGGLFCGCTKLD-FQEVSTJZSA-N 1 3 334.504 2.884 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCF ZINC001037985370 1305562673 /nfs/dbraw/zinc/56/26/73/1305562673.db2.gz VLGWKYMFGLKVNX-FUHWJXTLSA-N 1 3 335.467 2.548 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000967926492 1305607547 /nfs/dbraw/zinc/60/75/47/1305607547.db2.gz WYHIHBWWTAGQFE-NVXWUHKLSA-N 1 3 343.496 2.686 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001018838411 1314064648 /nfs/dbraw/zinc/06/46/48/1314064648.db2.gz ZRQSVNTZMIEOGJ-PKOBYXMFSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001018838411 1314064651 /nfs/dbraw/zinc/06/46/51/1314064651.db2.gz ZRQSVNTZMIEOGJ-PKOBYXMFSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[NH2+]CC2CC2)N2CCCC2)cc1 ZINC000870875703 1305645864 /nfs/dbraw/zinc/64/58/64/1305645864.db2.gz HYJSAQMQDYNINI-LJQANCHMSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)N2CCCC2)cc1 ZINC000870876079 1305647925 /nfs/dbraw/zinc/64/79/25/1305647925.db2.gz WSANEWONGQRSPW-GUDVDZBRSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870891576 1305661365 /nfs/dbraw/zinc/66/13/65/1305661365.db2.gz FVVJXPRHZBWWOT-YTQUADARSA-N 1 3 329.488 2.627 20 0 EFADHO CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000870895622 1305664965 /nfs/dbraw/zinc/66/49/65/1305664965.db2.gz LVYPPTFJEQCPMI-OTWHNJEPSA-N 1 3 329.488 2.627 20 0 EFADHO CN(C)C1(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000870966685 1305715986 /nfs/dbraw/zinc/71/59/86/1305715986.db2.gz RMYUIVNGNVJLMO-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000870966574 1305716180 /nfs/dbraw/zinc/71/61/80/1305716180.db2.gz MHFXDYKNWBFKSL-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CCOC(=O)CC[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001209033186 1314075241 /nfs/dbraw/zinc/07/52/41/1314075241.db2.gz IMABLBRTNXVFIH-UHFFFAOYSA-N 1 3 345.487 2.711 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246026011 1314569076 /nfs/dbraw/zinc/56/90/76/1314569076.db2.gz YSPNAJMDZDUAAA-OKZBNKHCSA-N 1 3 332.504 2.733 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001246026011 1314569079 /nfs/dbraw/zinc/56/90/79/1314569079.db2.gz YSPNAJMDZDUAAA-OKZBNKHCSA-N 1 3 332.504 2.733 20 0 EFADHO CC(C)Oc1cc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1F ZINC001278321401 1314082456 /nfs/dbraw/zinc/08/24/56/1314082456.db2.gz IFKSDUHTWNNKFE-PKOBYXMFSA-N 1 3 349.494 2.681 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017144873 1306058338 /nfs/dbraw/zinc/05/83/38/1306058338.db2.gz AZQDUZNCNCTGHX-UXHICEINSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017144873 1306058351 /nfs/dbraw/zinc/05/83/51/1306058351.db2.gz AZQDUZNCNCTGHX-UXHICEINSA-N 1 3 345.531 2.943 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000968326594 1306135203 /nfs/dbraw/zinc/13/52/03/1306135203.db2.gz GWTXPLAPWDMYTC-APWZRJJASA-N 1 3 349.494 2.591 20 0 EFADHO Cc1ncccc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276622575 1314108524 /nfs/dbraw/zinc/10/85/24/1314108524.db2.gz HHHSXXHQTTUKJB-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ncccc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276622575 1314108526 /nfs/dbraw/zinc/10/85/26/1314108526.db2.gz HHHSXXHQTTUKJB-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001018962522 1314112912 /nfs/dbraw/zinc/11/29/12/1314112912.db2.gz FGHICKQWEGFJSE-ZWKOTPCHSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001018962920 1314112933 /nfs/dbraw/zinc/11/29/33/1314112933.db2.gz QDXWOXLCCUWPGC-WMZOPIPTSA-N 1 3 329.488 2.731 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018968207 1314114493 /nfs/dbraw/zinc/11/44/93/1314114493.db2.gz XVULFBBSVYNOGT-IRXDYDNUSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001018968207 1314114497 /nfs/dbraw/zinc/11/44/97/1314114497.db2.gz XVULFBBSVYNOGT-IRXDYDNUSA-N 1 3 335.517 2.702 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001018971792 1314117552 /nfs/dbraw/zinc/11/75/52/1314117552.db2.gz UAMVHVRZMSKDTD-HKUYNNGSSA-N 1 3 329.488 2.813 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@H]2CN(Cc3ccsc3)CC[C@@H]2C)CC1 ZINC000968459540 1306349296 /nfs/dbraw/zinc/34/92/96/1306349296.db2.gz MHBFPJCKSBPRIA-WMZOPIPTSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001018991109 1314123745 /nfs/dbraw/zinc/12/37/45/1314123745.db2.gz YJHBCHDETAKGSA-ROUUACIJSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001018991109 1314123749 /nfs/dbraw/zinc/12/37/49/1314123749.db2.gz YJHBCHDETAKGSA-ROUUACIJSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001018999174 1314126711 /nfs/dbraw/zinc/12/67/11/1314126711.db2.gz ISYRGFDFSOHZFR-WDSOQIARSA-N 1 3 347.478 2.590 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001018999406 1314126783 /nfs/dbraw/zinc/12/67/83/1314126783.db2.gz QVYGYLKRARALJM-PMACEKPBSA-N 1 3 345.531 2.568 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922234 1306487568 /nfs/dbraw/zinc/48/75/68/1306487568.db2.gz VKAUHRRXMKHIDE-JFUMXJAJSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922234 1306487573 /nfs/dbraw/zinc/48/75/73/1306487573.db2.gz VKAUHRRXMKHIDE-JFUMXJAJSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017155449 1306496721 /nfs/dbraw/zinc/49/67/21/1306496721.db2.gz YNBYAMPAJJCSAE-FUHWJXTLSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017155449 1306496724 /nfs/dbraw/zinc/49/67/24/1306496724.db2.gz YNBYAMPAJJCSAE-FUHWJXTLSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000968645431 1306530479 /nfs/dbraw/zinc/53/04/79/1306530479.db2.gz ZRQSVNTZMIEOGJ-MJGOQNOKSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000968645431 1306530485 /nfs/dbraw/zinc/53/04/85/1306530485.db2.gz ZRQSVNTZMIEOGJ-MJGOQNOKSA-N 1 3 347.478 2.697 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097581408 1314132503 /nfs/dbraw/zinc/13/25/03/1314132503.db2.gz ZGRVRWBKTWGBHQ-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001097581408 1314132507 /nfs/dbraw/zinc/13/25/07/1314132507.db2.gz ZGRVRWBKTWGBHQ-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC000968654975 1306539281 /nfs/dbraw/zinc/53/92/81/1306539281.db2.gz IXUZULZWPFRIKC-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC000968654975 1306539287 /nfs/dbraw/zinc/53/92/87/1306539287.db2.gz IXUZULZWPFRIKC-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673207 1306555748 /nfs/dbraw/zinc/55/57/48/1306555748.db2.gz JADVCUKBTMHBRR-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673207 1306555752 /nfs/dbraw/zinc/55/57/52/1306555752.db2.gz JADVCUKBTMHBRR-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CN(C[C@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631238 1314135245 /nfs/dbraw/zinc/13/52/45/1314135245.db2.gz LWVJDCXKDCNMHB-AEFFLSMTSA-N 1 3 333.907 2.623 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CN(C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631240 1314135363 /nfs/dbraw/zinc/13/53/63/1314135363.db2.gz LWVJDCXKDCNMHB-FUHWJXTLSA-N 1 3 333.907 2.623 20 0 EFADHO CC(C)c1cccc(CN[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001209315563 1314137870 /nfs/dbraw/zinc/13/78/70/1314137870.db2.gz RDBWTEYQABNZAN-GOSISDBHSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628648 1306672394 /nfs/dbraw/zinc/67/23/94/1306672394.db2.gz IQRQDXXJPVRJED-AEFFLSMTSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628470 1306672463 /nfs/dbraw/zinc/67/24/63/1306672463.db2.gz IFIPDSHRLAFPIJ-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H](C)C2)cc1 ZINC001044629764 1306673129 /nfs/dbraw/zinc/67/31/29/1306673129.db2.gz PNRZOTISEQUKFS-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629275 1306673260 /nfs/dbraw/zinc/67/32/60/1306673260.db2.gz LCCWQVLCIVALKN-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044630488 1306674804 /nfs/dbraw/zinc/67/48/04/1306674804.db2.gz WTNNZRYWQOFDPN-PKOBYXMFSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001019032011 1314143045 /nfs/dbraw/zinc/14/30/45/1314143045.db2.gz AETKPQDGHOFJAT-JKSUJKDBSA-N 1 3 339.430 2.655 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001019033662 1314143456 /nfs/dbraw/zinc/14/34/56/1314143456.db2.gz YLLXPNOJHNWUMZ-ZIFCJYIRSA-N 1 3 331.504 2.895 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001019033663 1314143663 /nfs/dbraw/zinc/14/36/63/1314143663.db2.gz YNAHDDFYHPTTRT-PKOBYXMFSA-N 1 3 347.503 2.505 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC001019034913 1314144287 /nfs/dbraw/zinc/14/42/87/1314144287.db2.gz SZAUZEZJLATGPH-AZUAARDMSA-N 1 3 339.483 2.871 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748838 1306770803 /nfs/dbraw/zinc/77/08/03/1306770803.db2.gz GAESULZEXVPVDS-RHSMWYFYSA-N 1 3 344.434 2.591 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749969 1306771653 /nfs/dbraw/zinc/77/16/53/1306771653.db2.gz MDHGJZYDJOTXFX-PBHICJAKSA-N 1 3 344.434 2.569 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1 ZINC001044754250 1306774867 /nfs/dbraw/zinc/77/48/67/1306774867.db2.gz HBSIQUFHNHGDIP-YJBOKZPZSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1F ZINC001044753623 1306774938 /nfs/dbraw/zinc/77/49/38/1306774938.db2.gz DMFULFKZZJOZCR-HOCLYGCPSA-N 1 3 344.434 2.569 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1 ZINC001044754248 1306775050 /nfs/dbraw/zinc/77/50/50/1306775050.db2.gz HBSIQUFHNHGDIP-MAUKXSAKSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912537 1306785966 /nfs/dbraw/zinc/78/59/66/1306785966.db2.gz JUFFCWRQXFZODT-QAPCUYQASA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912447 1306786042 /nfs/dbraw/zinc/78/60/42/1306786042.db2.gz HGQJAVAILPNDJQ-MSOLQXFVSA-N 1 3 349.906 2.679 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000968921654 1306798985 /nfs/dbraw/zinc/79/89/85/1306798985.db2.gz DISXNPZVDORPML-IEBWSBKVSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000968971321 1306848287 /nfs/dbraw/zinc/84/82/87/1306848287.db2.gz YJHBCHDETAKGSA-QZTJIDSGSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000968971321 1306848291 /nfs/dbraw/zinc/84/82/91/1306848291.db2.gz YJHBCHDETAKGSA-QZTJIDSGSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC000968989672 1306866306 /nfs/dbraw/zinc/86/63/06/1306866306.db2.gz KIYWRQYXIQNWGC-QGTPRVQTSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000968990206 1306867341 /nfs/dbraw/zinc/86/73/41/1306867341.db2.gz XTHARYCPQZDKDB-OLMNPRSZSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044857235 1306867759 /nfs/dbraw/zinc/86/77/59/1306867759.db2.gz GQCQLLWCSQLRLE-QUCCMNQESA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044857851 1306868224 /nfs/dbraw/zinc/86/82/24/1306868224.db2.gz OLRRFIMCIFGYMP-FUHWJXTLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044858275 1306868780 /nfs/dbraw/zinc/86/87/80/1306868780.db2.gz RAOOVKVXNPNBFS-LPHOPBHVSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044858850 1306869187 /nfs/dbraw/zinc/86/91/87/1306869187.db2.gz WOQKMRXYCXLKRU-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044858994 1306869492 /nfs/dbraw/zinc/86/94/92/1306869492.db2.gz YMUBMKKGRCKLIF-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968996227 1306871695 /nfs/dbraw/zinc/87/16/95/1306871695.db2.gz ALRUKUONQQFGML-MJGOQNOKSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC000969074591 1306948178 /nfs/dbraw/zinc/94/81/78/1306948178.db2.gz JXNDPHHVBBAIDL-HZPDHXFCSA-N 1 3 339.430 2.655 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC000969077245 1306950970 /nfs/dbraw/zinc/95/09/70/1306950970.db2.gz MQNODOGFFHHOCY-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1sccc1Cl ZINC001044959086 1306956260 /nfs/dbraw/zinc/95/62/60/1306956260.db2.gz ATIYAXOLWGHAEI-GXTWGEPZSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001044960091 1306956307 /nfs/dbraw/zinc/95/63/07/1306956307.db2.gz VNRAXVRGZVJDIT-WMZOPIPTSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001044960213 1306956654 /nfs/dbraw/zinc/95/66/54/1306956654.db2.gz ZEFLPPSYYNKEOM-ICSRJNTNSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044960089 1306956725 /nfs/dbraw/zinc/95/67/25/1306956725.db2.gz VMCCZBMEMUJYPV-ICSRJNTNSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019076044 1314160663 /nfs/dbraw/zinc/16/06/63/1314160663.db2.gz IRLBRIRLSNUKJD-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019076044 1314160667 /nfs/dbraw/zinc/16/06/67/1314160667.db2.gz IRLBRIRLSNUKJD-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001045043166 1307011552 /nfs/dbraw/zinc/01/15/52/1307011552.db2.gz BDVNIDFDEBFLAS-BPQIPLTHSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001045043166 1307011560 /nfs/dbraw/zinc/01/15/60/1307011560.db2.gz BDVNIDFDEBFLAS-BPQIPLTHSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC001045043223 1307011943 /nfs/dbraw/zinc/01/19/43/1307011943.db2.gz DDLVDQJTPYUXPU-HYVNUMGLSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC001045043223 1307011950 /nfs/dbraw/zinc/01/19/50/1307011950.db2.gz DDLVDQJTPYUXPU-HYVNUMGLSA-N 1 3 349.906 2.761 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045060576 1307024855 /nfs/dbraw/zinc/02/48/55/1307024855.db2.gz XEMKARFQSJPPFU-PKOBYXMFSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045060576 1307024858 /nfs/dbraw/zinc/02/48/58/1307024858.db2.gz XEMKARFQSJPPFU-PKOBYXMFSA-N 1 3 347.478 2.781 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001045067377 1307030049 /nfs/dbraw/zinc/03/00/49/1307030049.db2.gz LTGDUXGRJCBKQD-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001045067757 1307031801 /nfs/dbraw/zinc/03/18/01/1307031801.db2.gz SJIIIJHZUHTRSV-ZWKOTPCHSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001045070569 1307033992 /nfs/dbraw/zinc/03/39/92/1307033992.db2.gz LFYZWPPNYQLCIP-KXBFYZLASA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001045070597 1307034199 /nfs/dbraw/zinc/03/41/99/1307034199.db2.gz MPDFBIPXDSCRDS-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CCN(CC)Cc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)ccc1F ZINC001241900462 1314162305 /nfs/dbraw/zinc/16/23/05/1314162305.db2.gz YZJRTMMYMUTXPX-UHFFFAOYSA-N 1 3 343.450 2.534 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001045078883 1307037393 /nfs/dbraw/zinc/03/73/93/1307037393.db2.gz PWUNQDYZEFGNCZ-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001045079225 1307037809 /nfs/dbraw/zinc/03/78/09/1307037809.db2.gz YWCBXKVSDOBHHO-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001045079230 1307038273 /nfs/dbraw/zinc/03/82/73/1307038273.db2.gz YZBOLLIYKZTESU-OALUTQOASA-N 1 3 349.494 2.823 20 0 EFADHO CSc1ccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001276642763 1314162636 /nfs/dbraw/zinc/16/26/36/1314162636.db2.gz KOCSSNNFSLIVFO-UHFFFAOYSA-N 1 3 348.560 2.653 20 0 EFADHO CSc1ccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001276642763 1314162640 /nfs/dbraw/zinc/16/26/40/1314162640.db2.gz KOCSSNNFSLIVFO-UHFFFAOYSA-N 1 3 348.560 2.653 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](CC)N(C)C)c1 ZINC001045089913 1307045415 /nfs/dbraw/zinc/04/54/15/1307045415.db2.gz QDNIBWPWBPIDIL-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001045090103 1307045588 /nfs/dbraw/zinc/04/55/88/1307045588.db2.gz TUHJKVMQTNLPJW-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO c1cnc(N2CCCC23CC[NH+](CCCN2CCCCC2)CC3)nc1 ZINC001209449961 1314164764 /nfs/dbraw/zinc/16/47/64/1314164764.db2.gz NFFUISZOVJUNME-UHFFFAOYSA-N 1 3 343.519 2.787 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1F ZINC001019087325 1314165196 /nfs/dbraw/zinc/16/51/96/1314165196.db2.gz NWTPMKKGMYLVCY-HOTGVXAUSA-N 1 3 345.462 2.706 20 0 EFADHO c1ncc([C@@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001209451814 1314165821 /nfs/dbraw/zinc/16/58/21/1314165821.db2.gz SGGWBNPJLAQQHP-SFHVURJKSA-N 1 3 344.503 2.691 20 0 EFADHO c1cc(CN2CC[C@@H]3C[N@@H+](CCCN4CCCCC4)C[C@@H]3C2)ccn1 ZINC001209451786 1314166041 /nfs/dbraw/zinc/16/60/41/1314166041.db2.gz RMTZOXMAWWBYQY-NHCUHLMSSA-N 1 3 342.531 2.711 20 0 EFADHO c1cc(CN2CC[C@@H]3C[N@H+](CCCN4CCCCC4)C[C@@H]3C2)ccn1 ZINC001209451786 1314166044 /nfs/dbraw/zinc/16/60/44/1314166044.db2.gz RMTZOXMAWWBYQY-NHCUHLMSSA-N 1 3 342.531 2.711 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001045187428 1307123683 /nfs/dbraw/zinc/12/36/83/1307123683.db2.gz NXZCAQFPRQCJAI-PKOBYXMFSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001045187656 1307123768 /nfs/dbraw/zinc/12/37/68/1307123768.db2.gz QYESGICXABRBOJ-DLBZAZTESA-N 1 3 337.533 2.723 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001045187635 1307123775 /nfs/dbraw/zinc/12/37/75/1307123775.db2.gz PWUNQDYZEFGNCZ-AZUAARDMSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1F ZINC001045199644 1307133720 /nfs/dbraw/zinc/13/37/20/1307133720.db2.gz GUFKPMQMPFNLTI-YJBOKZPZSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001045199440 1307133828 /nfs/dbraw/zinc/13/38/28/1307133828.db2.gz AAFQKKFNPMSJLM-QAPCUYQASA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001045200402 1307134895 /nfs/dbraw/zinc/13/48/95/1307134895.db2.gz WVRNIZHTPKJDJI-UZLBHIALSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001045199868 1307134989 /nfs/dbraw/zinc/13/49/89/1307134989.db2.gz LOYUAIAZQAIIJL-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001045200086 1307135001 /nfs/dbraw/zinc/13/50/01/1307135001.db2.gz BHEKHIGMTKBARH-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001045199681 1307135101 /nfs/dbraw/zinc/13/51/01/1307135101.db2.gz HLLUXYKFJJFVEC-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001045199681 1307135103 /nfs/dbraw/zinc/13/51/03/1307135103.db2.gz HLLUXYKFJJFVEC-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001045200585 1307135889 /nfs/dbraw/zinc/13/58/89/1307135889.db2.gz HQQPBHQOIBPNAD-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045200784 1307136055 /nfs/dbraw/zinc/13/60/55/1307136055.db2.gz PHZRPRFSHLKWHK-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1sccc1Cl)N(C)C ZINC001045205500 1307136818 /nfs/dbraw/zinc/13/68/18/1307136818.db2.gz MRDCYDZRLUWKFA-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001045205082 1307137090 /nfs/dbraw/zinc/13/70/90/1307137090.db2.gz CNZOPRHQDJYRSE-ROUUACIJSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001045204117 1307137149 /nfs/dbraw/zinc/13/71/49/1307137149.db2.gz WQNXBDOSNUTLCJ-JSGCOSHPSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001045205671 1307137412 /nfs/dbraw/zinc/13/74/12/1307137412.db2.gz RGJRZQYXWMSYTD-WMZOPIPTSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001045205720 1307137421 /nfs/dbraw/zinc/13/74/21/1307137421.db2.gz UKKOGCPPCGMGFP-ROUUACIJSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001045205650 1307137559 /nfs/dbraw/zinc/13/75/59/1307137559.db2.gz QLMGUDBXEWCWMS-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015548 1307144410 /nfs/dbraw/zinc/14/44/10/1307144410.db2.gz JUXOISDZZPDRQO-DRMAHVMPSA-N 1 3 339.499 2.721 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015548 1307144413 /nfs/dbraw/zinc/14/44/13/1307144413.db2.gz JUXOISDZZPDRQO-DRMAHVMPSA-N 1 3 339.499 2.721 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001045218006 1307148182 /nfs/dbraw/zinc/14/81/82/1307148182.db2.gz FRKDJOWIEHWJAP-RDJZCZTQSA-N 1 3 326.444 2.602 20 0 EFADHO COc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1CN(C)C ZINC001241980860 1314169883 /nfs/dbraw/zinc/16/98/83/1314169883.db2.gz GRCZDPOVUDGTIK-UHFFFAOYSA-N 1 3 339.483 2.829 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001045251122 1307175658 /nfs/dbraw/zinc/17/56/58/1307175658.db2.gz FCNYULLZQHTGOH-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001209474696 1314170574 /nfs/dbraw/zinc/17/05/74/1314170574.db2.gz JFNLJJZPGDZLDA-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001045311583 1307231672 /nfs/dbraw/zinc/23/16/72/1307231672.db2.gz MRVUKHUZHQGYFN-ICSRJNTNSA-N 1 3 341.499 2.740 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045320989 1307239420 /nfs/dbraw/zinc/23/94/20/1307239420.db2.gz ARDVBVAENHIZJD-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3cccs3)C2)CC[N@@H+]1C ZINC001007368514 1307391884 /nfs/dbraw/zinc/39/18/84/1307391884.db2.gz IDSXOQAWJWXWHS-BPQIPLTHSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3cccs3)C2)CC[N@H+]1C ZINC001007368514 1307391890 /nfs/dbraw/zinc/39/18/90/1307391890.db2.gz IDSXOQAWJWXWHS-BPQIPLTHSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C)C2)CC[N@@H+]1C ZINC001007369827 1307393220 /nfs/dbraw/zinc/39/32/20/1307393220.db2.gz SRZZCKRZKYOYIV-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C)C2)CC[N@H+]1C ZINC001007369827 1307393225 /nfs/dbraw/zinc/39/32/25/1307393225.db2.gz SRZZCKRZKYOYIV-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620113 1307457925 /nfs/dbraw/zinc/45/79/25/1307457925.db2.gz BPILLHHPGZMGIY-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620113 1307457932 /nfs/dbraw/zinc/45/79/32/1307457932.db2.gz BPILLHHPGZMGIY-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639682 1307492635 /nfs/dbraw/zinc/49/26/35/1307492635.db2.gz PIPAWKNPFYPVBY-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045639682 1307492640 /nfs/dbraw/zinc/49/26/40/1307492640.db2.gz PIPAWKNPFYPVBY-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO O=C(N[C@@H]1CCCN(CC2=CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001007618739 1307528494 /nfs/dbraw/zinc/52/84/94/1307528494.db2.gz LFDDSXWAELKLFP-LJQANCHMSA-N 1 3 345.531 2.943 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585900 1314194803 /nfs/dbraw/zinc/19/48/03/1314194803.db2.gz SBAHLUJWLLJTNN-MISYRCLQSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045776393 1307588111 /nfs/dbraw/zinc/58/81/11/1307588111.db2.gz RPXQAVMUGZWIRD-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045776393 1307588116 /nfs/dbraw/zinc/58/81/16/1307588116.db2.gz RPXQAVMUGZWIRD-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001045789611 1307601403 /nfs/dbraw/zinc/60/14/03/1307601403.db2.gz HTSOFSQOFXAKBU-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001045789611 1307601407 /nfs/dbraw/zinc/60/14/07/1307601407.db2.gz HTSOFSQOFXAKBU-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1)[NH+](C)C ZINC001045797123 1307646087 /nfs/dbraw/zinc/64/60/87/1307646087.db2.gz QEMXDYAVPSTZMY-SQNIBIBYSA-N 1 3 349.544 2.900 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045807348 1307665734 /nfs/dbraw/zinc/66/57/34/1307665734.db2.gz UVVZLFWPQQVPSV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045807348 1307665738 /nfs/dbraw/zinc/66/57/38/1307665738.db2.gz UVVZLFWPQQVPSV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1ncsc1CN1CC[C@H]2[C@@H]1CCN2CC(C)(C)C[NH+](C)C ZINC001276658797 1314203007 /nfs/dbraw/zinc/20/30/07/1314203007.db2.gz WJGXMAPOCQFUMG-HOTGVXAUSA-N 1 3 336.549 2.688 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCC1 ZINC001045823897 1307698734 /nfs/dbraw/zinc/69/87/34/1307698734.db2.gz JTJGBENLZNZKOU-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCC1 ZINC001045823897 1307698737 /nfs/dbraw/zinc/69/87/37/1307698737.db2.gz JTJGBENLZNZKOU-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccsc1)[NH+](C)C ZINC001045841881 1307729582 /nfs/dbraw/zinc/72/95/82/1307729582.db2.gz QEMXDYAVPSTZMY-FGTMMUONSA-N 1 3 349.544 2.900 20 0 EFADHO CCCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209642575 1314207834 /nfs/dbraw/zinc/20/78/34/1314207834.db2.gz PDNHOZMOAMGHNN-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644009 1314208457 /nfs/dbraw/zinc/20/84/57/1314208457.db2.gz YHRZVFJKXIJZEH-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)C1 ZINC001045878353 1307797827 /nfs/dbraw/zinc/79/78/27/1307797827.db2.gz QOVGRRWHEMACAD-JQHSSLGASA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)C1 ZINC001045878353 1307797830 /nfs/dbraw/zinc/79/78/30/1307797830.db2.gz QOVGRRWHEMACAD-JQHSSLGASA-N 1 3 347.528 2.655 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001209668066 1314213325 /nfs/dbraw/zinc/21/33/25/1314213325.db2.gz AJUYXQIOQBXCJT-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001209668553 1314213354 /nfs/dbraw/zinc/21/33/54/1314213354.db2.gz FFFVNMKLJLEKCM-SJORKVTESA-N 1 3 337.533 2.602 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001209688622 1314217023 /nfs/dbraw/zinc/21/70/23/1314217023.db2.gz FWIXAGHFFBSVND-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001209691809 1314217924 /nfs/dbraw/zinc/21/79/24/1314217924.db2.gz YTNWEWHYDUVGLM-MRXNPFEDSA-N 1 3 337.533 2.807 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045938072 1307938669 /nfs/dbraw/zinc/93/86/69/1307938669.db2.gz RGQVPUXAFBPPKU-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045938072 1307938676 /nfs/dbraw/zinc/93/86/76/1307938676.db2.gz RGQVPUXAFBPPKU-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937885 1307939533 /nfs/dbraw/zinc/93/95/33/1307939533.db2.gz MUQLBUUAKQDGLU-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937885 1307939537 /nfs/dbraw/zinc/93/95/37/1307939537.db2.gz MUQLBUUAKQDGLU-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CC[NH+](C2CCN(Cc3c[nH]c4cc(F)ccc34)CC2)CC1 ZINC001209693658 1314218514 /nfs/dbraw/zinc/21/85/14/1314218514.db2.gz ZGAUJPHOACAYEG-UHFFFAOYSA-N 1 3 330.451 2.519 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001045941891 1307950637 /nfs/dbraw/zinc/95/06/37/1307950637.db2.gz OHWDIFVTANFWDJ-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001045941891 1307950645 /nfs/dbraw/zinc/95/06/45/1307950645.db2.gz OHWDIFVTANFWDJ-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045941997 1307952869 /nfs/dbraw/zinc/95/28/69/1307952869.db2.gz PTZVFEBFDJFXJA-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045941997 1307952871 /nfs/dbraw/zinc/95/28/71/1307952871.db2.gz PTZVFEBFDJFXJA-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943267 1307956624 /nfs/dbraw/zinc/95/66/24/1307956624.db2.gz HLOBPTDKXQRSPG-CTNGQTDRSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943267 1307956630 /nfs/dbraw/zinc/95/66/30/1307956630.db2.gz HLOBPTDKXQRSPG-CTNGQTDRSA-N 1 3 347.547 2.997 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943850 1307958663 /nfs/dbraw/zinc/95/86/63/1307958663.db2.gz PXWRZSJSOMPNOD-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943850 1307958667 /nfs/dbraw/zinc/95/86/67/1307958667.db2.gz PXWRZSJSOMPNOD-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001045965008 1308018113 /nfs/dbraw/zinc/01/81/13/1308018113.db2.gz BEHWOEUHEVMZEH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001045965008 1308018118 /nfs/dbraw/zinc/01/81/18/1308018118.db2.gz BEHWOEUHEVMZEH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001045965035 1308018564 /nfs/dbraw/zinc/01/85/64/1308018564.db2.gz BNBSXZBUYFDUSL-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001045965035 1308018569 /nfs/dbraw/zinc/01/85/69/1308018569.db2.gz BNBSXZBUYFDUSL-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001045966233 1308021118 /nfs/dbraw/zinc/02/11/18/1308021118.db2.gz RIYRDDVCHXEUDP-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001045966233 1308021123 /nfs/dbraw/zinc/02/11/23/1308021123.db2.gz RIYRDDVCHXEUDP-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045966227 1308021758 /nfs/dbraw/zinc/02/17/58/1308021758.db2.gz RCKCAFGIGYVKJC-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045966227 1308021763 /nfs/dbraw/zinc/02/17/63/1308021763.db2.gz RCKCAFGIGYVKJC-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967380 1308024646 /nfs/dbraw/zinc/02/46/46/1308024646.db2.gz TWRYCGFARCCXPP-CTNGQTDRSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967380 1308024652 /nfs/dbraw/zinc/02/46/52/1308024652.db2.gz TWRYCGFARCCXPP-CTNGQTDRSA-N 1 3 347.547 2.999 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967384 1308024776 /nfs/dbraw/zinc/02/47/76/1308024776.db2.gz TZOBMBLQIHPJBD-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967384 1308024780 /nfs/dbraw/zinc/02/47/80/1308024780.db2.gz TZOBMBLQIHPJBD-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967660 1308025775 /nfs/dbraw/zinc/02/57/75/1308025775.db2.gz ZOXBPQXJCYOWDH-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967660 1308025780 /nfs/dbraw/zinc/02/57/80/1308025780.db2.gz ZOXBPQXJCYOWDH-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001045967447 1308026038 /nfs/dbraw/zinc/02/60/38/1308026038.db2.gz UWTWNAXLIWQXHH-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001045967447 1308026044 /nfs/dbraw/zinc/02/60/44/1308026044.db2.gz UWTWNAXLIWQXHH-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967658 1308026523 /nfs/dbraw/zinc/02/65/23/1308026523.db2.gz ZOXBPQXJCYOWDH-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967658 1308026527 /nfs/dbraw/zinc/02/65/27/1308026527.db2.gz ZOXBPQXJCYOWDH-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001045973515 1308044961 /nfs/dbraw/zinc/04/49/61/1308044961.db2.gz SFDGAKOTEDQABL-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001045973515 1308044964 /nfs/dbraw/zinc/04/49/64/1308044964.db2.gz SFDGAKOTEDQABL-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402216 1308047519 /nfs/dbraw/zinc/04/75/19/1308047519.db2.gz ZLHNOQKQCPGPFM-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406515 1308049665 /nfs/dbraw/zinc/04/96/65/1308049665.db2.gz OXACBVQUPUMFHU-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001413132048 1308131309 /nfs/dbraw/zinc/13/13/09/1308131309.db2.gz JEEITSSDUVFLRI-MOPGFXCFSA-N 1 3 340.471 2.544 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F ZINC001413152789 1308170797 /nfs/dbraw/zinc/17/07/97/1308170797.db2.gz NSGRYXGTWCDMKB-GOSISDBHSA-N 1 3 344.430 2.691 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC001413152789 1308170802 /nfs/dbraw/zinc/17/08/02/1308170802.db2.gz NSGRYXGTWCDMKB-GOSISDBHSA-N 1 3 344.430 2.691 20 0 EFADHO C[C@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008880696 1308310655 /nfs/dbraw/zinc/31/06/55/1308310655.db2.gz JMTJWNJSDXNOIG-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009170712 1308417989 /nfs/dbraw/zinc/41/79/89/1308417989.db2.gz SERXRSWHMFRTBZ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(CCCF)C1 ZINC001009170712 1308417992 /nfs/dbraw/zinc/41/79/92/1308417992.db2.gz SERXRSWHMFRTBZ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001009200830 1308427614 /nfs/dbraw/zinc/42/76/14/1308427614.db2.gz HHXOXCIMPROOSJ-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001009200830 1308427617 /nfs/dbraw/zinc/42/76/17/1308427617.db2.gz HHXOXCIMPROOSJ-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001009201509 1308428699 /nfs/dbraw/zinc/42/86/99/1308428699.db2.gz KVONQUCNXJKNGH-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001009201509 1308428703 /nfs/dbraw/zinc/42/87/03/1308428703.db2.gz KVONQUCNXJKNGH-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001009205547 1308430794 /nfs/dbraw/zinc/43/07/94/1308430794.db2.gz AIIWYJWPUIYMCZ-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001009205547 1308430796 /nfs/dbraw/zinc/43/07/96/1308430796.db2.gz AIIWYJWPUIYMCZ-SJLPKXTDSA-N 1 3 349.544 2.787 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)C1 ZINC001019275856 1314249925 /nfs/dbraw/zinc/24/99/25/1314249925.db2.gz OLUSIWKOLGMIDF-IRXDYDNUSA-N 1 3 335.517 2.561 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3ccsc3)C2)C1 ZINC001019275856 1314249927 /nfs/dbraw/zinc/24/99/27/1314249927.db2.gz OLUSIWKOLGMIDF-IRXDYDNUSA-N 1 3 335.517 2.561 20 0 EFADHO C[NH2+]Cc1ccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)cc1 ZINC001242989890 1314250855 /nfs/dbraw/zinc/25/08/55/1314250855.db2.gz CXVHCFSUNKRNPB-UHFFFAOYSA-N 1 3 326.444 2.911 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCc2ccccc2)C1 ZINC001046315263 1308531138 /nfs/dbraw/zinc/53/11/38/1308531138.db2.gz IWHMZMUJXOGLAT-CTNGQTDRSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCc2ccccc2)C1 ZINC001046315263 1308531141 /nfs/dbraw/zinc/53/11/41/1308531141.db2.gz IWHMZMUJXOGLAT-CTNGQTDRSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001046318961 1308535159 /nfs/dbraw/zinc/53/51/59/1308535159.db2.gz ZDDWGERUDRXPML-PXNSSMCTSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001046318961 1308535162 /nfs/dbraw/zinc/53/51/62/1308535162.db2.gz ZDDWGERUDRXPML-PXNSSMCTSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001046330481 1308547367 /nfs/dbraw/zinc/54/73/67/1308547367.db2.gz KVDCMFXPGZAATR-ZVDOUQERSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001046330481 1308547371 /nfs/dbraw/zinc/54/73/71/1308547371.db2.gz KVDCMFXPGZAATR-ZVDOUQERSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCC3CC3)C2)c1 ZINC001009608816 1308584584 /nfs/dbraw/zinc/58/45/84/1308584584.db2.gz HFYDKRLQKRHEGP-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001009608816 1308584586 /nfs/dbraw/zinc/58/45/86/1308584586.db2.gz HFYDKRLQKRHEGP-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611018 1308585154 /nfs/dbraw/zinc/58/51/54/1308585154.db2.gz NOUDSKKFAFCSBH-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611018 1308585155 /nfs/dbraw/zinc/58/51/55/1308585155.db2.gz NOUDSKKFAFCSBH-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001209951217 1314262741 /nfs/dbraw/zinc/26/27/41/1314262741.db2.gz KGCQRGULWYJEDW-PDTSHOSPSA-N 1 3 327.900 2.582 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)CC1 ZINC001209950240 1314262887 /nfs/dbraw/zinc/26/28/87/1314262887.db2.gz DGBJVVLWKMAFPO-CQSZACIVSA-N 1 3 348.318 2.618 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001209951215 1314263009 /nfs/dbraw/zinc/26/30/09/1314263009.db2.gz KGCQRGULWYJEDW-HKFHSAMXSA-N 1 3 327.900 2.582 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC1 ZINC001096106197 1308788665 /nfs/dbraw/zinc/78/86/65/1308788665.db2.gz NSBGVGGOJCZPOA-AABGKKOBSA-N 1 3 341.499 2.640 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019325036 1314275630 /nfs/dbraw/zinc/27/56/30/1314275630.db2.gz GSPNGKSBXCIYPU-INIZCTEOSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001019337287 1314280842 /nfs/dbraw/zinc/28/08/42/1314280842.db2.gz CPMXAZYVIRZTCW-DFQSSKMNSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001019342877 1314283529 /nfs/dbraw/zinc/28/35/29/1314283529.db2.gz MTTIKXBZYBRWHR-OWCLPIDISA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001019342822 1314283577 /nfs/dbraw/zinc/28/35/77/1314283577.db2.gz JKYPWKMNRFCGOR-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCOC)C1 ZINC001210181844 1314292694 /nfs/dbraw/zinc/29/26/94/1314292694.db2.gz DSOLQXDLWKXJSG-GOSISDBHSA-N 1 3 341.540 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001210183326 1314292557 /nfs/dbraw/zinc/29/25/57/1314292557.db2.gz OIXDTXXDQDFAHX-DLBZAZTESA-N 1 3 329.504 2.827 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001210217041 1314296192 /nfs/dbraw/zinc/29/61/92/1314296192.db2.gz CHBUYQMJNZEHQD-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001210218228 1314296797 /nfs/dbraw/zinc/29/67/97/1314296797.db2.gz PSJPOSFZXRNCEP-KXBFYZLASA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001210217358 1314296957 /nfs/dbraw/zinc/29/69/57/1314296957.db2.gz HQOPWZHASOLQMD-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001210230583 1314298909 /nfs/dbraw/zinc/29/89/09/1314298909.db2.gz XFVKIPINLIKVNV-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001210229452 1314299160 /nfs/dbraw/zinc/29/91/60/1314299160.db2.gz OXZRTCAIPXLVNF-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)=CCN1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760972 1309288755 /nfs/dbraw/zinc/28/87/55/1309288755.db2.gz OPWQWWRKTMYWSU-FQEVSTJZSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001019380756 1314302808 /nfs/dbraw/zinc/30/28/08/1314302808.db2.gz LNKRQCVIGRHYRU-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001019381690 1314303637 /nfs/dbraw/zinc/30/36/37/1314303637.db2.gz PMJVANDBFOVVDH-APWZRJJASA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001019382952 1314304560 /nfs/dbraw/zinc/30/45/60/1314304560.db2.gz QIXRHDNODIWDNE-LPHOPBHVSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN(C)C1CCC1 ZINC000901064202 1309335352 /nfs/dbraw/zinc/33/53/52/1309335352.db2.gz MTOUNRZOZLZUND-LFUKPOHLSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN(C)C1CCC1 ZINC000901064202 1309335362 /nfs/dbraw/zinc/33/53/62/1309335362.db2.gz MTOUNRZOZLZUND-LFUKPOHLSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000901064785 1309338507 /nfs/dbraw/zinc/33/85/07/1309338507.db2.gz RMAPAFDXCLBHDS-BQFCYCMXSA-N 1 3 331.504 2.599 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC001019386752 1314306109 /nfs/dbraw/zinc/30/61/09/1314306109.db2.gz VHWSVXJDUMIFMU-HKUYNNGSSA-N 1 3 341.499 2.596 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001019394507 1314310451 /nfs/dbraw/zinc/31/04/51/1314310451.db2.gz JRTKWOGFNVUUSA-KSZLIROESA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC001019394485 1314310474 /nfs/dbraw/zinc/31/04/74/1314310474.db2.gz IXYVGWIFZLNZTA-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CN1CCN(c2cccc(-c3ccccc3Cn3cc[nH+]c3N)c2)CC1 ZINC001243672582 1314311975 /nfs/dbraw/zinc/31/19/75/1314311975.db2.gz BCLWORQSPRWVFT-UHFFFAOYSA-N 1 3 347.466 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705775 1314312611 /nfs/dbraw/zinc/31/26/11/1314312611.db2.gz JSRCSHGIVZLAFI-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705775 1314312614 /nfs/dbraw/zinc/31/26/14/1314312614.db2.gz JSRCSHGIVZLAFI-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711884 1314317424 /nfs/dbraw/zinc/31/74/24/1314317424.db2.gz APSVWTNIBHFMLJ-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711884 1314317426 /nfs/dbraw/zinc/31/74/26/1314317426.db2.gz APSVWTNIBHFMLJ-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105512 1309476629 /nfs/dbraw/zinc/47/66/29/1309476629.db2.gz NRRITIZUIYXCLV-AABGKKOBSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105512 1309476641 /nfs/dbraw/zinc/47/66/41/1309476641.db2.gz NRRITIZUIYXCLV-AABGKKOBSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712040 1314317200 /nfs/dbraw/zinc/31/72/00/1314317200.db2.gz DFFGGDFBMWBKQL-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712040 1314317205 /nfs/dbraw/zinc/31/72/05/1314317205.db2.gz DFFGGDFBMWBKQL-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712545 1314318388 /nfs/dbraw/zinc/31/83/88/1314318388.db2.gz KGVDDCJMNKUMDY-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712545 1314318392 /nfs/dbraw/zinc/31/83/92/1314318392.db2.gz KGVDDCJMNKUMDY-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001052712122 1314318697 /nfs/dbraw/zinc/31/86/97/1314318697.db2.gz FPVMSDCKTRIESP-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001052712122 1314318699 /nfs/dbraw/zinc/31/86/99/1314318699.db2.gz FPVMSDCKTRIESP-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052716528 1314322385 /nfs/dbraw/zinc/32/23/85/1314322385.db2.gz OGNDDLNQSZQHQQ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052716528 1314322389 /nfs/dbraw/zinc/32/23/89/1314322389.db2.gz OGNDDLNQSZQHQQ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712762 1314319867 /nfs/dbraw/zinc/31/98/67/1314319867.db2.gz OMILGRZXTOWJHY-XLIONFOSSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001052712762 1314319871 /nfs/dbraw/zinc/31/98/71/1314319871.db2.gz OMILGRZXTOWJHY-XLIONFOSSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712271 1314318271 /nfs/dbraw/zinc/31/82/71/1314318271.db2.gz GMQKQLDXCUCJQA-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712271 1314318274 /nfs/dbraw/zinc/31/82/74/1314318274.db2.gz GMQKQLDXCUCJQA-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046938152 1309717750 /nfs/dbraw/zinc/71/77/50/1309717750.db2.gz ORXGPWHQPLQRMG-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046938152 1309717757 /nfs/dbraw/zinc/71/77/57/1309717757.db2.gz ORXGPWHQPLQRMG-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046938150 1309718370 /nfs/dbraw/zinc/71/83/70/1309718370.db2.gz ORXGPWHQPLQRMG-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046938150 1309718374 /nfs/dbraw/zinc/71/83/74/1309718374.db2.gz ORXGPWHQPLQRMG-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046945745 1309735227 /nfs/dbraw/zinc/73/52/27/1309735227.db2.gz QMEGQOFIOIWKKP-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046945745 1309735232 /nfs/dbraw/zinc/73/52/32/1309735232.db2.gz QMEGQOFIOIWKKP-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046964484 1309786828 /nfs/dbraw/zinc/78/68/28/1309786828.db2.gz UZPCDSBSJQGFMW-JKSUJKDBSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001046964484 1309786834 /nfs/dbraw/zinc/78/68/34/1309786834.db2.gz UZPCDSBSJQGFMW-JKSUJKDBSA-N 1 3 345.478 2.592 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001210476981 1314339336 /nfs/dbraw/zinc/33/93/36/1314339336.db2.gz KAVKRLBOHSYKRE-NCJCTJFTSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C/C=C\c2ccccc2)C[C@H]1C ZINC001210476981 1314339337 /nfs/dbraw/zinc/33/93/37/1314339337.db2.gz KAVKRLBOHSYKRE-NCJCTJFTSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001046977323 1309823882 /nfs/dbraw/zinc/82/38/82/1309823882.db2.gz GKWAGBOFKBVBMP-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001046977323 1309823888 /nfs/dbraw/zinc/82/38/88/1309823888.db2.gz GKWAGBOFKBVBMP-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2F)C[C@H]1C ZINC001210485735 1314340926 /nfs/dbraw/zinc/34/09/26/1314340926.db2.gz KACRZSFYKSAKFQ-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCc2ccccc2F)C[C@H]1C ZINC001210485735 1314340928 /nfs/dbraw/zinc/34/09/28/1314340928.db2.gz KACRZSFYKSAKFQ-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001210502723 1314343893 /nfs/dbraw/zinc/34/38/93/1314343893.db2.gz JOVSEJZRWPIESM-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001210502723 1314343895 /nfs/dbraw/zinc/34/38/95/1314343895.db2.gz JOVSEJZRWPIESM-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2)N1CCCCC1 ZINC001047073864 1310046292 /nfs/dbraw/zinc/04/62/92/1310046292.db2.gz VBNVCSOOICQGKH-ULQDDVLXSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2)N1CCCCC1 ZINC001047073864 1310046303 /nfs/dbraw/zinc/04/63/03/1310046303.db2.gz VBNVCSOOICQGKH-ULQDDVLXSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001052762766 1314356483 /nfs/dbraw/zinc/35/64/83/1314356483.db2.gz CCBVAMFYTXKXOE-IRMRGROASA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001052762766 1314356487 /nfs/dbraw/zinc/35/64/87/1314356487.db2.gz CCBVAMFYTXKXOE-IRMRGROASA-N 1 3 341.927 2.973 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1=CCCCC1)C2 ZINC001047189626 1310275844 /nfs/dbraw/zinc/27/58/44/1310275844.db2.gz AOUKTWYZGPOBRU-BZSNNMDCSA-N 1 3 342.487 2.730 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1=CCCCC1)C2 ZINC001047189626 1310275850 /nfs/dbraw/zinc/27/58/50/1310275850.db2.gz AOUKTWYZGPOBRU-BZSNNMDCSA-N 1 3 342.487 2.730 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1=CCCCC1)C2 ZINC001047189627 1310276879 /nfs/dbraw/zinc/27/68/79/1310276879.db2.gz AOUKTWYZGPOBRU-KSZLIROESA-N 1 3 342.487 2.730 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1=CCCCC1)C2 ZINC001047189627 1310276886 /nfs/dbraw/zinc/27/68/86/1310276886.db2.gz AOUKTWYZGPOBRU-KSZLIROESA-N 1 3 342.487 2.730 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CC2)C3)c1 ZINC001047205239 1310305616 /nfs/dbraw/zinc/30/56/16/1310305616.db2.gz CRMIOVFJZRQUGM-IHPCNDPISA-N 1 3 341.499 2.741 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CC2)C3)c1 ZINC001047205239 1310305626 /nfs/dbraw/zinc/30/56/26/1310305626.db2.gz CRMIOVFJZRQUGM-IHPCNDPISA-N 1 3 341.499 2.741 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744530 1314380449 /nfs/dbraw/zinc/38/04/49/1314380449.db2.gz RRBXYHIRNJLPBL-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001210744529 1314380510 /nfs/dbraw/zinc/38/05/10/1314380510.db2.gz RRBXYHIRNJLPBL-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001019558673 1314383485 /nfs/dbraw/zinc/38/34/85/1314383485.db2.gz GMPZLFQLNBDTAL-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)C1CCC1 ZINC001047243713 1310398787 /nfs/dbraw/zinc/39/87/87/1310398787.db2.gz NREVUVBCTBALEV-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001210751293 1314382238 /nfs/dbraw/zinc/38/22/38/1314382238.db2.gz XOTZCGDTHBAQSD-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCc4ccccc43)C2)CC1 ZINC001019560582 1314384100 /nfs/dbraw/zinc/38/41/00/1314384100.db2.gz NUODSKJTKMVTNM-AZUAARDMSA-N 1 3 341.499 2.596 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC(C)C)CC2)C1)N(C)C ZINC001047255608 1310428643 /nfs/dbraw/zinc/42/86/43/1310428643.db2.gz BTEWZRSMLOATGH-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256770 1310431832 /nfs/dbraw/zinc/43/18/32/1310431832.db2.gz NIPJXYGOSDMIJX-ICSRJNTNSA-N 1 3 349.563 2.935 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047257551 1310433337 /nfs/dbraw/zinc/43/33/37/1310433337.db2.gz QKSLMJLIKQKULP-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210783869 1314387823 /nfs/dbraw/zinc/38/78/23/1314387823.db2.gz WFQFFKYJIDRFAB-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210788562 1314388234 /nfs/dbraw/zinc/38/82/34/1314388234.db2.gz FIMNTWVVYJDRDZ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001210810834 1314391811 /nfs/dbraw/zinc/39/18/11/1314391811.db2.gz FARZWADRUMJZPS-GOSISDBHSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001210810853 1314391819 /nfs/dbraw/zinc/39/18/19/1314391819.db2.gz FLUFZVFSWCSERP-ROUUACIJSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001210810946 1314392234 /nfs/dbraw/zinc/39/22/34/1314392234.db2.gz HNPHKSOZZSGDFW-AEFFLSMTSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001210810792 1314392358 /nfs/dbraw/zinc/39/23/58/1314392358.db2.gz DGCZHTVBMOLMEH-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001210810617 1314392364 /nfs/dbraw/zinc/39/23/64/1314392364.db2.gz BEBWTJWRNPOSPT-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001210810821 1314392386 /nfs/dbraw/zinc/39/23/86/1314392386.db2.gz DVPJQDUBGARMKY-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001210812288 1314392639 /nfs/dbraw/zinc/39/26/39/1314392639.db2.gz WEYFDEVOLIDFJR-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001019631062 1314403548 /nfs/dbraw/zinc/40/35/48/1314403548.db2.gz UOLBUYCFEGPFGM-SFHVURJKSA-N 1 3 347.528 2.561 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837270 1314407849 /nfs/dbraw/zinc/40/78/49/1314407849.db2.gz ODHDXSVZJUPUME-ZWKOTPCHSA-N 1 3 341.515 2.826 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711040 1311017188 /nfs/dbraw/zinc/01/71/88/1311017188.db2.gz VPLBXWBRLJZXRK-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711040 1311017191 /nfs/dbraw/zinc/01/71/91/1311017191.db2.gz VPLBXWBRLJZXRK-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221710708 1311017704 /nfs/dbraw/zinc/01/77/04/1311017704.db2.gz FVTHRZYNCNEFDL-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221710708 1311017706 /nfs/dbraw/zinc/01/77/06/1311017706.db2.gz FVTHRZYNCNEFDL-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730794 1311020144 /nfs/dbraw/zinc/02/01/44/1311020144.db2.gz SSPMHVSHPDOCAL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730794 1311020145 /nfs/dbraw/zinc/02/01/45/1311020145.db2.gz SSPMHVSHPDOCAL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791604 1311032490 /nfs/dbraw/zinc/03/24/90/1311032490.db2.gz UZJUWYNWLGKQSH-UYAOXDASSA-N 1 3 343.515 2.794 20 0 EFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C3CC3)C[C@H]21 ZINC001221791283 1311033065 /nfs/dbraw/zinc/03/30/65/1311033065.db2.gz DZDCRTLKACMQOB-UYAOXDASSA-N 1 3 341.499 2.548 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cccc(C)c3C)C[C@@H]1C[NH2+]CCC2 ZINC001222125166 1311087994 /nfs/dbraw/zinc/08/79/94/1311087994.db2.gz GLTRBWWQCDERBJ-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)c3C)C[C@@H]1CNCCC2 ZINC001222125166 1311087997 /nfs/dbraw/zinc/08/79/97/1311087997.db2.gz GLTRBWWQCDERBJ-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)c3C)C[C@@H]1CNCCC2 ZINC001222125166 1311087999 /nfs/dbraw/zinc/08/79/99/1311087999.db2.gz GLTRBWWQCDERBJ-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001099490919 1311097916 /nfs/dbraw/zinc/09/79/16/1311097916.db2.gz WYSSQAWNKJIZOY-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(N(C)C)CCC2)C1 ZINC001099490919 1311097919 /nfs/dbraw/zinc/09/79/19/1311097919.db2.gz WYSSQAWNKJIZOY-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO CC1(C)CCc2cc(CN3CCOCC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001222407975 1311126563 /nfs/dbraw/zinc/12/65/63/1311126563.db2.gz USQDEKYMBLUBFX-UHFFFAOYSA-N 1 3 344.499 2.992 20 0 EFADHO CC(C)(O)CCCC1=CC[C@@H](C[N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491416 1311140881 /nfs/dbraw/zinc/14/08/81/1311140881.db2.gz AALFDQMHBMYORV-AABGKKOBSA-N 1 3 349.563 2.680 20 0 EFADHO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001222491416 1311140882 /nfs/dbraw/zinc/14/08/82/1311140882.db2.gz AALFDQMHBMYORV-AABGKKOBSA-N 1 3 349.563 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001490949097 1311142722 /nfs/dbraw/zinc/14/27/22/1311142722.db2.gz CQXIEAWSUVIBEJ-IYARVYRRSA-N 1 3 331.504 2.690 20 0 EFADHO OCCCCC[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573795 1311154419 /nfs/dbraw/zinc/15/44/19/1311154419.db2.gz DXLVVRQXDOPHRQ-FQEVSTJZSA-N 1 3 346.515 2.952 20 0 EFADHO OCCCCC[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222573795 1311154422 /nfs/dbraw/zinc/15/44/22/1311154422.db2.gz DXLVVRQXDOPHRQ-FQEVSTJZSA-N 1 3 346.515 2.952 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656274 1311168209 /nfs/dbraw/zinc/16/82/09/1311168209.db2.gz DIUDAVMZXWVSOA-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656274 1311168210 /nfs/dbraw/zinc/16/82/10/1311168210.db2.gz DIUDAVMZXWVSOA-QYZOEREBSA-N 1 3 335.536 2.972 20 0 EFADHO c1ccc(C2(CN3CC[NH2+]C[C@]4(CCCCN4)C3)CCCC2)cc1 ZINC001222669984 1311170488 /nfs/dbraw/zinc/17/04/88/1311170488.db2.gz ZNLJTWULPYUCPV-OAQYLSRUSA-N 1 3 327.516 2.916 20 0 EFADHO Nc1ncc(C[NH2+][C@@]23CC[C@@](NCc4ccc[nH]4)(C2)CCC3)s1 ZINC001276849818 1311199066 /nfs/dbraw/zinc/19/90/66/1311199066.db2.gz HCTQYQSRLRWWKR-SJORKVTESA-N 1 3 331.489 2.778 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222930490 1311199936 /nfs/dbraw/zinc/19/99/36/1311199936.db2.gz ZUFSBKTWGLNHQK-QYZOEREBSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222930490 1311199938 /nfs/dbraw/zinc/19/99/38/1311199938.db2.gz ZUFSBKTWGLNHQK-QYZOEREBSA-N 1 3 337.552 2.932 20 0 EFADHO Nc1cccc(CN[C@@]23CC[C@@]([NH2+]CCn4ccnc4)(C2)CCC3)c1 ZINC001276860259 1311212645 /nfs/dbraw/zinc/21/26/45/1311212645.db2.gz GQUIAOWPRYBQSL-UXHICEINSA-N 1 3 339.487 2.690 20 0 EFADHO [O-]c1cc(F)cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276866981 1311223240 /nfs/dbraw/zinc/22/32/40/1311223240.db2.gz XWZOQQIXXNWOQS-CALCHBBNSA-N 1 3 344.434 2.598 20 0 EFADHO [O-]c1cc(F)cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276866981 1311223243 /nfs/dbraw/zinc/22/32/43/1311223243.db2.gz XWZOQQIXXNWOQS-CALCHBBNSA-N 1 3 344.434 2.598 20 0 EFADHO [O-]c1cc(F)cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276866981 1311223245 /nfs/dbraw/zinc/22/32/45/1311223245.db2.gz XWZOQQIXXNWOQS-CALCHBBNSA-N 1 3 344.434 2.598 20 0 EFADHO [O-]c1cc(F)cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001276866981 1311223248 /nfs/dbraw/zinc/22/32/48/1311223248.db2.gz XWZOQQIXXNWOQS-CALCHBBNSA-N 1 3 344.434 2.598 20 0 EFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(O)ccc2c1 ZINC001276870497 1311228233 /nfs/dbraw/zinc/22/82/33/1311228233.db2.gz PSRJOEBGBOFTQU-BGYRXZFFSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866945 1311239070 /nfs/dbraw/zinc/23/90/70/1311239070.db2.gz FWUIACMFUSRQER-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866884 1311239176 /nfs/dbraw/zinc/23/91/76/1311239176.db2.gz FHWCBAYYWOXZFK-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001047866915 1311239353 /nfs/dbraw/zinc/23/93/53/1311239353.db2.gz FQTVVRZUHVEJGZ-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866702 1311239386 /nfs/dbraw/zinc/23/93/86/1311239386.db2.gz DDACBGHHXJHVBQ-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866738 1311239501 /nfs/dbraw/zinc/23/95/01/1311239501.db2.gz DMUZJILUDVPAAL-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868337 1311240413 /nfs/dbraw/zinc/24/04/13/1311240413.db2.gz NUBZDISPBMRXNP-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868339 1311240571 /nfs/dbraw/zinc/24/05/71/1311240571.db2.gz NUBZDISPBMRXNP-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868310 1311240632 /nfs/dbraw/zinc/24/06/32/1311240632.db2.gz NKXQWOLATCPNHI-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001047869193 1311241488 /nfs/dbraw/zinc/24/14/88/1311241488.db2.gz PVQMCQWSIZUEPE-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549097 1311248782 /nfs/dbraw/zinc/24/87/82/1311248782.db2.gz AIEJUBXADDEACI-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO CCC/C=C/CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223464892 1311263690 /nfs/dbraw/zinc/26/36/90/1311263690.db2.gz CSEABSWTOJEGQV-GHOSXJJBSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)C1CC1 ZINC001223472307 1311265045 /nfs/dbraw/zinc/26/50/45/1311265045.db2.gz NKXNYCLVPHEIQU-IBGZPJMESA-N 1 3 347.547 2.735 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](Cc2cccc(F)c2)CC1)C1CCC1 ZINC001223487960 1311267426 /nfs/dbraw/zinc/26/74/26/1311267426.db2.gz WAEUJNGPAOPKOG-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071293 1311277005 /nfs/dbraw/zinc/27/70/05/1311277005.db2.gz JHJJSPVNCPIWSG-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C1 ZINC001102071293 1311277009 /nfs/dbraw/zinc/27/70/09/1311277009.db2.gz JHJJSPVNCPIWSG-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C)N(C)C ZINC001102071477 1311277164 /nfs/dbraw/zinc/27/71/64/1311277164.db2.gz MTQBNMDEKMSIGC-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1C)N(C)C ZINC001102071477 1311277168 /nfs/dbraw/zinc/27/71/68/1311277168.db2.gz MTQBNMDEKMSIGC-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C/C=C/Cl)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102190503 1311293390 /nfs/dbraw/zinc/29/33/90/1311293390.db2.gz ASWSHUPSXAJZNN-HKFHSAMXSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001102524357 1311315704 /nfs/dbraw/zinc/31/57/04/1311315704.db2.gz BIZDRYTUUCBADN-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001102524357 1311315706 /nfs/dbraw/zinc/31/57/06/1311315706.db2.gz BIZDRYTUUCBADN-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001102525241 1311315976 /nfs/dbraw/zinc/31/59/76/1311315976.db2.gz SDCNJGKSKQUNGW-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C ZINC001102525241 1311315980 /nfs/dbraw/zinc/31/59/80/1311315980.db2.gz SDCNJGKSKQUNGW-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001102525020 1311316553 /nfs/dbraw/zinc/31/65/53/1311316553.db2.gz IDEYBSORWDSPHC-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CC)cc2)C[C@H]1C ZINC001102525020 1311316557 /nfs/dbraw/zinc/31/65/57/1311316557.db2.gz IDEYBSORWDSPHC-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911251 1311320234 /nfs/dbraw/zinc/32/02/34/1311320234.db2.gz BROBTEZRACVOHI-WBXGCANISA-N 1 3 344.503 2.966 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911251 1311320237 /nfs/dbraw/zinc/32/02/37/1311320237.db2.gz BROBTEZRACVOHI-WBXGCANISA-N 1 3 344.503 2.966 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC001224025045 1311333191 /nfs/dbraw/zinc/33/31/91/1311333191.db2.gz RYNRDPVHACAKHN-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CCCCCF)CC1)N1CCCC1 ZINC001224023456 1311333411 /nfs/dbraw/zinc/33/34/11/1311333411.db2.gz CKSDJEVJAIYOFN-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975160 1311343292 /nfs/dbraw/zinc/34/32/92/1311343292.db2.gz IIGBTXCBIITMPI-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975685 1311343862 /nfs/dbraw/zinc/34/38/62/1311343862.db2.gz MUGUYSBEGVZKPT-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985429 1311351443 /nfs/dbraw/zinc/35/14/43/1311351443.db2.gz WYSXDVDLZAHNGG-IAGOWNOFSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985994 1311351596 /nfs/dbraw/zinc/35/15/96/1311351596.db2.gz AQHYYAWUQGZFPE-ZFWWWQNUSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001047986172 1311351639 /nfs/dbraw/zinc/35/16/39/1311351639.db2.gz CFJMKFQLQZNYEV-CRAIPNDOSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986189 1311351779 /nfs/dbraw/zinc/35/17/79/1311351779.db2.gz CIKOQHHHMGLHLB-UKRRQHHQSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047987550 1311352939 /nfs/dbraw/zinc/35/29/39/1311352939.db2.gz HZYHBTBGSSTYJU-UKRRQHHQSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047991182 1311355990 /nfs/dbraw/zinc/35/59/90/1311355990.db2.gz ZNTHKQJEOFWGII-MAUKXSAKSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224269605 1311368512 /nfs/dbraw/zinc/36/85/12/1311368512.db2.gz VOVTVWZCDLKUAH-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCCCC[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224403046 1311385550 /nfs/dbraw/zinc/38/55/50/1311385550.db2.gz UNDJLLKQEMCMKJ-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001224524440 1311402486 /nfs/dbraw/zinc/40/24/86/1311402486.db2.gz WQELIPPDHGRGEH-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC001224538271 1311404640 /nfs/dbraw/zinc/40/46/40/1311404640.db2.gz XRNVMAQUDIWGGC-OAHLLOKOSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001224558140 1311406771 /nfs/dbraw/zinc/40/67/71/1311406771.db2.gz BOERFSMXRNXGCJ-FDYSRKEFSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001224558143 1311406914 /nfs/dbraw/zinc/40/69/14/1311406914.db2.gz BOERFSMXRNXGCJ-QPIRBTGLSA-N 1 3 349.563 2.983 20 0 EFADHO CC1(C)CCN(CC(=O)NCC2CC[NH+](Cc3ccsc3)CC2)C1 ZINC001224569308 1311408519 /nfs/dbraw/zinc/40/85/19/1311408519.db2.gz KMHGRTPKBHEIAA-UHFFFAOYSA-N 1 3 349.544 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001224583270 1311410700 /nfs/dbraw/zinc/41/07/00/1311410700.db2.gz OVWDJVMNSBNNLD-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001224583726 1311410749 /nfs/dbraw/zinc/41/07/49/1311410749.db2.gz ZPUTZXNKPMTWPO-VQTJNVASSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2csc(C)c2)CC1)N(C)C ZINC001224582982 1311410945 /nfs/dbraw/zinc/41/09/45/1311410945.db2.gz GEKBXLPZOXLWOR-KRWDZBQOSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C)cc2C)CC1)N(C)C ZINC001224583665 1311410964 /nfs/dbraw/zinc/41/09/64/1311410964.db2.gz YUBPQJRNKICHJF-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC001224592934 1311412104 /nfs/dbraw/zinc/41/21/04/1311412104.db2.gz WZJRAMVMIGLKQB-LPHOPBHVSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058666 1311417514 /nfs/dbraw/zinc/41/75/14/1311417514.db2.gz ICRRQPQYZFCZEC-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058612 1311417605 /nfs/dbraw/zinc/41/76/05/1311417605.db2.gz GWWJVILTDGZVTM-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058610 1311417779 /nfs/dbraw/zinc/41/77/79/1311417779.db2.gz GWWJVILTDGZVTM-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001048062146 1311420238 /nfs/dbraw/zinc/42/02/38/1311420238.db2.gz COQOHWFCIQVBDE-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048062437 1311420968 /nfs/dbraw/zinc/42/09/68/1311420968.db2.gz DUQMPEOJEYNMHV-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001048063706 1311422773 /nfs/dbraw/zinc/42/27/73/1311422773.db2.gz FLOMVYFUXBGJPB-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067109 1311425855 /nfs/dbraw/zinc/42/58/55/1311425855.db2.gz RNCPVPRGDBNRRF-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048069090 1311428390 /nfs/dbraw/zinc/42/83/90/1311428390.db2.gz ZXTWCUXGWPCFSM-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO CCNc1ccccc1C[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000902114415 1311439922 /nfs/dbraw/zinc/43/99/22/1311439922.db2.gz ZKMSFIHWVCRFED-UHFFFAOYSA-N 1 3 339.487 2.555 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884450 1311446434 /nfs/dbraw/zinc/44/64/34/1311446434.db2.gz VCJWQCCXNUWUHE-ZWKOTPCHSA-N 1 3 343.531 2.929 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001224904689 1311449418 /nfs/dbraw/zinc/44/94/18/1311449418.db2.gz UWUQGKVSVFVVEX-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001224910672 1311449865 /nfs/dbraw/zinc/44/98/65/1311449865.db2.gz CYQUKHWGCDFMMN-QRVBRYPASA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2csc(C)c2)CC1 ZINC001224911373 1311449910 /nfs/dbraw/zinc/44/99/10/1311449910.db2.gz NFRISELNXQRPFL-UHFFFAOYSA-N 1 3 337.533 2.727 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001159155031 1311462078 /nfs/dbraw/zinc/46/20/78/1311462078.db2.gz HHZNBDBICQLLBQ-CYBMUJFWSA-N 1 3 349.903 2.677 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001225087993 1311473777 /nfs/dbraw/zinc/47/37/77/1311473777.db2.gz TUMYMBRIXHMKFF-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001225087993 1311473780 /nfs/dbraw/zinc/47/37/80/1311473780.db2.gz TUMYMBRIXHMKFF-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO C[N@@H+]1CC[C@H](OC[C@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152240 1311482939 /nfs/dbraw/zinc/48/29/39/1311482939.db2.gz NDRAGZSFOLQRMN-ICSRJNTNSA-N 1 3 332.488 2.777 20 0 EFADHO C[N@H+]1CC[C@H](OC[C@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152240 1311482942 /nfs/dbraw/zinc/48/29/42/1311482942.db2.gz NDRAGZSFOLQRMN-ICSRJNTNSA-N 1 3 332.488 2.777 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001225207191 1311489672 /nfs/dbraw/zinc/48/96/72/1311489672.db2.gz NSCBVOAUOPOINZ-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001225228815 1311492608 /nfs/dbraw/zinc/49/26/08/1311492608.db2.gz ZQDJZAFWUGBLTI-YFHOEESVSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC001225228524 1311492775 /nfs/dbraw/zinc/49/27/75/1311492775.db2.gz OFTIXLDPXIYYRS-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001225244574 1311494285 /nfs/dbraw/zinc/49/42/85/1311494285.db2.gz JBZHBGYTKRYRHC-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001225244574 1311494288 /nfs/dbraw/zinc/49/42/88/1311494288.db2.gz JBZHBGYTKRYRHC-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CCc2ccccc2F)CC1 ZINC001225252988 1311495557 /nfs/dbraw/zinc/49/55/57/1311495557.db2.gz XUWUXKWGUAYEKW-UHFFFAOYSA-N 1 3 349.494 2.538 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001014403243 1311499032 /nfs/dbraw/zinc/49/90/32/1311499032.db2.gz ZEQJMIWSXWFZEG-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001014403243 1311499035 /nfs/dbraw/zinc/49/90/35/1311499035.db2.gz ZEQJMIWSXWFZEG-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001225278609 1311500035 /nfs/dbraw/zinc/50/00/35/1311500035.db2.gz UZBWIQPSABHKFO-UHFFFAOYSA-N 1 3 330.476 2.589 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014414853 1311504485 /nfs/dbraw/zinc/50/44/85/1311504485.db2.gz RTFUSXKEKXLLPW-QUCCMNQESA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014414853 1311504487 /nfs/dbraw/zinc/50/44/87/1311504487.db2.gz RTFUSXKEKXLLPW-QUCCMNQESA-N 1 3 343.515 2.867 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@H]2CNCCO2)nc1 ZINC001159500914 1311527796 /nfs/dbraw/zinc/52/77/96/1311527796.db2.gz FYFTYYDEDAZJQM-KBAYOESNSA-N 1 3 332.492 2.807 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@H]2CNCCO2)nc1 ZINC001159500914 1311527798 /nfs/dbraw/zinc/52/77/98/1311527798.db2.gz FYFTYYDEDAZJQM-KBAYOESNSA-N 1 3 332.492 2.807 20 0 EFADHO CN1CCN(Cc2ccc(Nc3cccc4c3CC[NH2+]C4)cc2)CC1 ZINC001159507137 1311529292 /nfs/dbraw/zinc/52/92/92/1311529292.db2.gz BKCHLDLDBMDQJS-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO CCN1CCN(Cc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001159509696 1311530016 /nfs/dbraw/zinc/53/00/16/1311530016.db2.gz RDKOZIDLFHNATD-FMIVXFBMSA-N 1 3 328.504 2.749 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225541496 1311539833 /nfs/dbraw/zinc/53/98/33/1311539833.db2.gz FHNGQQFSRFNDOU-OKILXGFUSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225541496 1311539836 /nfs/dbraw/zinc/53/98/36/1311539836.db2.gz FHNGQQFSRFNDOU-OKILXGFUSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225541352 1311539980 /nfs/dbraw/zinc/53/99/80/1311539980.db2.gz APEZPHPHOBWMCW-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159581982 1311545794 /nfs/dbraw/zinc/54/57/94/1311545794.db2.gz YWJQRIGGRPCWEE-YLJYHZDGSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159581982 1311545798 /nfs/dbraw/zinc/54/57/98/1311545798.db2.gz YWJQRIGGRPCWEE-YLJYHZDGSA-N 1 3 341.499 2.980 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578504 1311546719 /nfs/dbraw/zinc/54/67/19/1311546719.db2.gz UJVGBUSZRLKSKL-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(N2CCC[C@]3(CCCN(Cc4cn[nH]c4)C3)C2)cc[nH+]1 ZINC001277065369 1311566330 /nfs/dbraw/zinc/56/63/30/1311566330.db2.gz WCLWFEQSGXJMNJ-IBGZPJMESA-N 1 3 325.460 2.996 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159853641 1311597222 /nfs/dbraw/zinc/59/72/22/1311597222.db2.gz GNVBTKUQVWVJKA-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cccc(Cl)c1 ZINC001159854918 1311597388 /nfs/dbraw/zinc/59/73/88/1311597388.db2.gz WZHHDQPYKIQVNL-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c(Cl)c1 ZINC001159854869 1311597442 /nfs/dbraw/zinc/59/74/42/1311597442.db2.gz VDUVHMYSIKINJE-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001159862204 1311599336 /nfs/dbraw/zinc/59/93/36/1311599336.db2.gz ZTDYXWPXUGSLGI-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048255172 1311607232 /nfs/dbraw/zinc/60/72/32/1311607232.db2.gz HWYBOFNNWFIIHE-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC001159931508 1311611496 /nfs/dbraw/zinc/61/14/96/1311611496.db2.gz FCBGUVOIGSMEGO-SSGOSMAHSA-N 1 3 329.488 2.526 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001159931457 1311611711 /nfs/dbraw/zinc/61/17/11/1311611711.db2.gz CXNXFMMMLBYXTC-OALUTQOASA-N 1 3 329.488 2.500 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c(Cl)c1 ZINC001159932247 1311611951 /nfs/dbraw/zinc/61/19/51/1311611951.db2.gz PKJOBQIUAROHQV-QGZVFWFLSA-N 1 3 337.895 2.585 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)C1CC1 ZINC001159931575 1311612027 /nfs/dbraw/zinc/61/20/27/1311612027.db2.gz FNHYLSCCFVTENK-FXAWDEMLSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226170921 1311623801 /nfs/dbraw/zinc/62/38/01/1311623801.db2.gz SZGMTLWAKXMMOU-MSFSSZRUSA-N 1 3 327.900 2.629 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)C1CCC1 ZINC001160003023 1311626183 /nfs/dbraw/zinc/62/61/83/1311626183.db2.gz ANLWWUGAHNDYSY-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1)C1CCC1 ZINC001159997108 1311626432 /nfs/dbraw/zinc/62/64/32/1311626432.db2.gz GKKWEIJYGLGPMO-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)C1CCC1 ZINC001159997009 1311626499 /nfs/dbraw/zinc/62/64/99/1311626499.db2.gz AQZOGVDMDRXYAC-UHFFFAOYSA-N 1 3 339.430 2.704 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048276044 1311628584 /nfs/dbraw/zinc/62/85/84/1311628584.db2.gz FAPZMLCXAZJGRR-FUHWJXTLSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001048277679 1311630608 /nfs/dbraw/zinc/63/06/08/1311630608.db2.gz NXPQQXWTIPGONU-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cs1 ZINC001048277952 1311630995 /nfs/dbraw/zinc/63/09/95/1311630995.db2.gz RWMJNWRQYIEGDJ-YOEHRIQHSA-N 1 3 349.544 2.725 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048279817 1311633151 /nfs/dbraw/zinc/63/31/51/1311633151.db2.gz LUSPQOGDCBYNLI-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014631100 1311634744 /nfs/dbraw/zinc/63/47/44/1311634744.db2.gz OFDDEIRLPUMZCR-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014631100 1311634749 /nfs/dbraw/zinc/63/47/49/1311634749.db2.gz OFDDEIRLPUMZCR-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001014633746 1311636235 /nfs/dbraw/zinc/63/62/35/1311636235.db2.gz SUJUPIMVKZWSQZ-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001014633746 1311636238 /nfs/dbraw/zinc/63/62/38/1311636238.db2.gz SUJUPIMVKZWSQZ-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014639260 1311638834 /nfs/dbraw/zinc/63/88/34/1311638834.db2.gz MZZAELNYSOBNQE-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014639260 1311638838 /nfs/dbraw/zinc/63/88/38/1311638838.db2.gz MZZAELNYSOBNQE-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CC[NH2+]CC(C)(C)C3)c2)CCO1 ZINC000902345894 1311657729 /nfs/dbraw/zinc/65/77/29/1311657729.db2.gz BOLCJDGGFOLCJL-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001160175531 1311659821 /nfs/dbraw/zinc/65/98/21/1311659821.db2.gz WXELGUOESQCBFX-CRAIPNDOSA-N 1 3 347.528 2.727 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCC2=CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001160175531 1311659825 /nfs/dbraw/zinc/65/98/25/1311659825.db2.gz WXELGUOESQCBFX-CRAIPNDOSA-N 1 3 347.528 2.727 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001014699587 1311672453 /nfs/dbraw/zinc/67/24/53/1311672453.db2.gz DEESUCJNGCXYEC-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001014699587 1311672457 /nfs/dbraw/zinc/67/24/57/1311672457.db2.gz DEESUCJNGCXYEC-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001014718402 1311684104 /nfs/dbraw/zinc/68/41/04/1311684104.db2.gz XOUNNHUQYICCQL-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001014718402 1311684108 /nfs/dbraw/zinc/68/41/08/1311684108.db2.gz XOUNNHUQYICCQL-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001014724916 1311691241 /nfs/dbraw/zinc/69/12/41/1311691241.db2.gz YAGFJSFHXCWEQR-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001014724916 1311691244 /nfs/dbraw/zinc/69/12/44/1311691244.db2.gz YAGFJSFHXCWEQR-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014724625 1311691283 /nfs/dbraw/zinc/69/12/83/1311691283.db2.gz VZONDRXTIANLBA-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014724625 1311691286 /nfs/dbraw/zinc/69/12/86/1311691286.db2.gz VZONDRXTIANLBA-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014724627 1311691302 /nfs/dbraw/zinc/69/13/02/1311691302.db2.gz VZONDRXTIANLBA-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014724627 1311691304 /nfs/dbraw/zinc/69/13/04/1311691304.db2.gz VZONDRXTIANLBA-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421878 1311706740 /nfs/dbraw/zinc/70/67/40/1311706740.db2.gz WIASGCKSFPBSKW-KRWDZBQOSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426907 1311707267 /nfs/dbraw/zinc/70/72/67/1311707267.db2.gz KCNWPVMNCTVPTJ-KRWDZBQOSA-N 1 3 339.911 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001160427289 1311707621 /nfs/dbraw/zinc/70/76/21/1311707621.db2.gz OOUYMSRWPNEHPF-INIZCTEOSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001160428281 1311707871 /nfs/dbraw/zinc/70/78/71/1311707871.db2.gz YOOAHGMJXLIMPO-IBGZPJMESA-N 1 3 333.520 2.610 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCCCc1ccccc1)N(C)C ZINC001160428275 1311708152 /nfs/dbraw/zinc/70/81/52/1311708152.db2.gz YKTZHCIJHWWZIR-IBGZPJMESA-N 1 3 333.520 2.691 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C3)cc1 ZINC001096344335 1311711348 /nfs/dbraw/zinc/71/13/48/1311711348.db2.gz KQCUTKGBPBFVSY-ZRNYENFQSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C3)cc1 ZINC001096344335 1311711350 /nfs/dbraw/zinc/71/13/50/1311711350.db2.gz KQCUTKGBPBFVSY-ZRNYENFQSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001226773743 1311721068 /nfs/dbraw/zinc/72/10/68/1311721068.db2.gz IVNLYJUEJLXOOJ-AQNXPRMDSA-N 1 3 343.515 2.852 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001160499101 1311722278 /nfs/dbraw/zinc/72/22/78/1311722278.db2.gz WMMPKEBXQVWEEF-QFBILLFUSA-N 1 3 342.487 2.891 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048386029 1311731208 /nfs/dbraw/zinc/73/12/08/1311731208.db2.gz GPDYUVXPAYURTR-MJGOQNOKSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048388003 1311732406 /nfs/dbraw/zinc/73/24/06/1311732406.db2.gz UTRLPXVKSWFHPW-IEBWSBKVSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048388842 1311734062 /nfs/dbraw/zinc/73/40/62/1311734062.db2.gz XZXMZBKBBLSAAH-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)s1 ZINC001048395883 1311739053 /nfs/dbraw/zinc/73/90/53/1311739053.db2.gz FQPAGIIKCHDEGM-LRDDRELGSA-N 1 3 346.500 2.515 20 0 EFADHO [NH3+]C1CCN(c2cccc(NCCc3cc(F)cc(F)c3)n2)CC1 ZINC001160570340 1311739227 /nfs/dbraw/zinc/73/92/27/1311739227.db2.gz WTHDENONSXJDGF-UHFFFAOYSA-N 1 3 332.398 2.942 20 0 EFADHO CCOc1cc(C)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001277165842 1311740793 /nfs/dbraw/zinc/74/07/93/1311740793.db2.gz AQNVCHAXIOKVOE-OALUTQOASA-N 1 3 331.504 2.604 20 0 EFADHO CCOc1cc(C)ccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001277165842 1311740797 /nfs/dbraw/zinc/74/07/97/1311740797.db2.gz AQNVCHAXIOKVOE-OALUTQOASA-N 1 3 331.504 2.604 20 0 EFADHO Cc1nc(N(Cc2ccccc2)C[C@@H](C)C[NH3+])cc(N2CCCC2)n1 ZINC001160660172 1311753122 /nfs/dbraw/zinc/75/31/22/1311753122.db2.gz HLAXCBJXKRXUGD-INIZCTEOSA-N 1 3 339.487 2.987 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001227048199 1311755695 /nfs/dbraw/zinc/75/56/95/1311755695.db2.gz RZLXUWJLZGERGD-GUDVDZBRSA-N 1 3 331.504 2.852 20 0 EFADHO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N(C)CC ZINC001227149697 1311768646 /nfs/dbraw/zinc/76/86/46/1311768646.db2.gz CYGKWHYUKBJZLZ-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCCC2(CC(F)C2)CC1 ZINC001160761232 1311775896 /nfs/dbraw/zinc/77/58/96/1311775896.db2.gz DYDINFDXIZYVRZ-PQUAAJSLSA-N 1 3 327.488 2.613 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227308084 1311791959 /nfs/dbraw/zinc/79/19/59/1311791959.db2.gz PIWQQWGZUZVPEY-KRWDZBQOSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001160883003 1311802269 /nfs/dbraw/zinc/80/22/69/1311802269.db2.gz FCKBVHCQGDEZHJ-LJQANCHMSA-N 1 3 327.472 2.776 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc(Cl)ccc1Cl)N(C)C ZINC001160883907 1311803325 /nfs/dbraw/zinc/80/33/25/1311803325.db2.gz YMACUMDQSDRJBS-OAHLLOKOSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1Cl)N(C)C ZINC001160889299 1311803649 /nfs/dbraw/zinc/80/36/49/1311803649.db2.gz HISAEVXZRSBKJI-OAHLLOKOSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001160889540 1311803970 /nfs/dbraw/zinc/80/39/70/1311803970.db2.gz MMHVWAPNDMLBJX-MRXNPFEDSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1)N(C)C ZINC001160890210 1311803974 /nfs/dbraw/zinc/80/39/74/1311803974.db2.gz YTNUTRCRUZVZJY-LJQANCHMSA-N 1 3 333.520 2.821 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1CCCC[NH2+]C1 ZINC001160956519 1311821094 /nfs/dbraw/zinc/82/10/94/1311821094.db2.gz OAFZZXLOWRYOOR-IHPCNDPISA-N 1 3 343.515 2.745 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@@H](C)C[C@@H]2COCCN2)c1 ZINC000902528911 1311839203 /nfs/dbraw/zinc/83/92/03/1311839203.db2.gz SSDVVPSUSNOLPP-FUHWJXTLSA-N 1 3 335.492 2.586 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001161050430 1311846684 /nfs/dbraw/zinc/84/66/84/1311846684.db2.gz MYULCGPXPFSRMU-RTBURBONSA-N 1 3 345.531 2.795 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001161050430 1311846686 /nfs/dbraw/zinc/84/66/86/1311846686.db2.gz MYULCGPXPFSRMU-RTBURBONSA-N 1 3 345.531 2.795 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CCC1 ZINC001227806991 1311859035 /nfs/dbraw/zinc/85/90/35/1311859035.db2.gz JOVMUXVICHLMKL-LJQANCHMSA-N 1 3 341.499 2.739 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001227807019 1311859148 /nfs/dbraw/zinc/85/91/48/1311859148.db2.gz KYJYITHLQMRSRN-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161107045 1311859300 /nfs/dbraw/zinc/85/93/00/1311859300.db2.gz WJXRQMULWMZXDG-INIZCTEOSA-N 1 3 347.478 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227816412 1311860320 /nfs/dbraw/zinc/86/03/20/1311860320.db2.gz DILNUDBIZRNAIZ-JXFKEZNVSA-N 1 3 343.515 2.977 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227818174 1311860890 /nfs/dbraw/zinc/86/08/90/1311860890.db2.gz SIXFJTUUTCDUGQ-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227818647 1311860935 /nfs/dbraw/zinc/86/09/35/1311860935.db2.gz YYRPQGYNLCIRGH-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227817107 1311861038 /nfs/dbraw/zinc/86/10/38/1311861038.db2.gz JPBHJWPTTFLKMT-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001227900106 1311871197 /nfs/dbraw/zinc/87/11/97/1311871197.db2.gz NRXDWESMSGCAFX-KRWDZBQOSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001227899816 1311871315 /nfs/dbraw/zinc/87/13/15/1311871315.db2.gz JOPPFSCVMFTYJF-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900281 1311871795 /nfs/dbraw/zinc/87/17/95/1311871795.db2.gz KWAOPCPGBONVTD-ARFHVFGLSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001161391520 1311877451 /nfs/dbraw/zinc/87/74/51/1311877451.db2.gz STMSIGCWQXGNNF-SFHVURJKSA-N 1 3 339.499 2.747 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161391520 1311877454 /nfs/dbraw/zinc/87/74/54/1311877454.db2.gz STMSIGCWQXGNNF-SFHVURJKSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)N(C)C ZINC001227979813 1311883376 /nfs/dbraw/zinc/88/33/76/1311883376.db2.gz LITHXQZMXOVHAD-MOPGFXCFSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001015054693 1311884149 /nfs/dbraw/zinc/88/41/49/1311884149.db2.gz YRBBKHQVJVDOCX-UXHICEINSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(CCc2ccccc2)C1 ZINC001015054693 1311884152 /nfs/dbraw/zinc/88/41/52/1311884152.db2.gz YRBBKHQVJVDOCX-UXHICEINSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001015054692 1311884258 /nfs/dbraw/zinc/88/42/58/1311884258.db2.gz YRBBKHQVJVDOCX-PMACEKPBSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCc2ccccc2)C1 ZINC001015054692 1311884261 /nfs/dbraw/zinc/88/42/61/1311884261.db2.gz YRBBKHQVJVDOCX-PMACEKPBSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC001227986732 1311884851 /nfs/dbraw/zinc/88/48/51/1311884851.db2.gz LHHZCBFQOORRHL-HNAYVOBHSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)N(C)C ZINC001227986713 1311884889 /nfs/dbraw/zinc/88/48/89/1311884889.db2.gz LDIFDIOTIBGYSY-LJQANCHMSA-N 1 3 342.487 2.589 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161427589 1311885783 /nfs/dbraw/zinc/88/57/83/1311885783.db2.gz CWEDBGZVFMZIMA-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)c1ccc(CCC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001161442769 1311890772 /nfs/dbraw/zinc/89/07/72/1311890772.db2.gz GPGFDMYROXTEQT-FQEVSTJZSA-N 1 3 345.531 2.885 20 0 EFADHO CCC(CC)(C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161444832 1311890930 /nfs/dbraw/zinc/89/09/30/1311890930.db2.gz KRIDRVAENRMYCU-LJQANCHMSA-N 1 3 345.531 2.887 20 0 EFADHO CCCc1cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)ccc1F ZINC001161449520 1311891949 /nfs/dbraw/zinc/89/19/49/1311891949.db2.gz NLUYUSVESOQPEW-KRWDZBQOSA-N 1 3 335.467 2.534 20 0 EFADHO Cc1c(F)ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c1Cl ZINC001161449816 1311892524 /nfs/dbraw/zinc/89/25/24/1311892524.db2.gz SUPQCSINZNXUIT-CYBMUJFWSA-N 1 3 341.858 2.543 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCC[NH2+]C1 ZINC001161449724 1311892618 /nfs/dbraw/zinc/89/26/18/1311892618.db2.gz QUIKWTKDFMZQSX-AWEZNQCLSA-N 1 3 337.533 2.801 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2c(F)cccc12)[C@@H]1CCC[NH2+]C1 ZINC001161450168 1311892665 /nfs/dbraw/zinc/89/26/65/1311892665.db2.gz CMWWYRINDYHHPY-OAHLLOKOSA-N 1 3 343.446 2.735 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453928 1311893042 /nfs/dbraw/zinc/89/30/42/1311893042.db2.gz NXLDWVXDZJORMV-GJZGRUSLSA-N 1 3 343.393 2.825 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)c(C)c1Cl ZINC001161452458 1311893100 /nfs/dbraw/zinc/89/31/00/1311893100.db2.gz RMUMIPRQAWMKSR-OAHLLOKOSA-N 1 3 337.895 2.713 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)N1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001161453927 1311893316 /nfs/dbraw/zinc/89/33/16/1311893316.db2.gz NXLDWVXDZJORMV-CABCVRRESA-N 1 3 343.393 2.825 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161504396 1311902084 /nfs/dbraw/zinc/90/20/84/1311902084.db2.gz KLZTURKTZIZQEK-UHFFFAOYSA-N 1 3 333.520 2.967 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161504396 1311902087 /nfs/dbraw/zinc/90/20/87/1311902087.db2.gz KLZTURKTZIZQEK-UHFFFAOYSA-N 1 3 333.520 2.967 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161504790 1311903047 /nfs/dbraw/zinc/90/30/47/1311903047.db2.gz RTJSHSIBZPTJFG-HSALFYBXSA-N 1 3 347.547 2.903 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161504790 1311903051 /nfs/dbraw/zinc/90/30/51/1311903051.db2.gz RTJSHSIBZPTJFG-HSALFYBXSA-N 1 3 347.547 2.903 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)CN2CC[C@@H](C)C2)[NH+](C)C)cc1 ZINC001413057563 1311913158 /nfs/dbraw/zinc/91/31/58/1311913158.db2.gz LAWZJABTCBQMFI-XLIONFOSSA-N 1 3 345.531 2.946 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001048572501 1311919647 /nfs/dbraw/zinc/91/96/47/1311919647.db2.gz LAWDSKKMWIQIHI-XMTFNYHQSA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001048572501 1311919650 /nfs/dbraw/zinc/91/96/50/1311919650.db2.gz LAWDSKKMWIQIHI-XMTFNYHQSA-N 1 3 339.499 2.578 20 0 EFADHO O=C(c1ccc2c(c1)CNC2)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161592099 1311924528 /nfs/dbraw/zinc/92/45/28/1311924528.db2.gz HHFBNJPPJCZOBS-UHFFFAOYSA-N 1 3 347.462 2.567 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CCCCCF)CC1 ZINC001161755033 1311965902 /nfs/dbraw/zinc/96/59/02/1311965902.db2.gz IDYXHHCKJSCCEA-UHFFFAOYSA-N 1 3 327.488 2.606 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001161755033 1311965904 /nfs/dbraw/zinc/96/59/04/1311965904.db2.gz IDYXHHCKJSCCEA-UHFFFAOYSA-N 1 3 327.488 2.606 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1)CC(C)(C)C ZINC001228623696 1311972101 /nfs/dbraw/zinc/97/21/01/1311972101.db2.gz HJQJIBKFULMSGW-QZTJIDSGSA-N 1 3 346.519 2.577 20 0 EFADHO Cc1ccccc1C[N@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161942369 1312009411 /nfs/dbraw/zinc/00/94/11/1312009411.db2.gz SHKMIXGQMKFYAT-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC=C(CCNC(=O)CN(C)C(C)C)CC1 ZINC001161942369 1312009415 /nfs/dbraw/zinc/00/94/15/1312009415.db2.gz SHKMIXGQMKFYAT-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161946976 1312011252 /nfs/dbraw/zinc/01/12/52/1312011252.db2.gz OWJXPJKSSZRJQR-AQNXPRMDSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001161946976 1312011255 /nfs/dbraw/zinc/01/12/55/1312011255.db2.gz OWJXPJKSSZRJQR-AQNXPRMDSA-N 1 3 347.547 2.901 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228894916 1312016209 /nfs/dbraw/zinc/01/62/09/1312016209.db2.gz FOWRPEZHJJEPDK-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001228904519 1312018318 /nfs/dbraw/zinc/01/83/18/1312018318.db2.gz KMJBVDKUPGUZQK-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001228932753 1312022690 /nfs/dbraw/zinc/02/26/90/1312022690.db2.gz USRIQMDCXIJXCM-BRWVUGGUSA-N 1 3 327.488 2.626 20 0 EFADHO COc1cccc(CC2([NH3+])CCN(c3cccc(N(C)C)n3)CC2)c1 ZINC001162045778 1312038061 /nfs/dbraw/zinc/03/80/61/1312038061.db2.gz MMDNZYMBFVTLMJ-UHFFFAOYSA-N 1 3 340.471 2.697 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001229215076 1312062656 /nfs/dbraw/zinc/06/26/56/1312062656.db2.gz VDDQHIMCRXIVFC-WOJBJXKFSA-N 1 3 345.531 2.978 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1)N(C)C ZINC001229254098 1312068383 /nfs/dbraw/zinc/06/83/83/1312068383.db2.gz PFCLJFGLSMEDFG-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC001229254576 1312068524 /nfs/dbraw/zinc/06/85/24/1312068524.db2.gz VYQVNWVWXOGDSA-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC001229254890 1312068604 /nfs/dbraw/zinc/06/86/04/1312068604.db2.gz ZOEXECZZVZQJGW-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)N(C)C ZINC001229254362 1312068609 /nfs/dbraw/zinc/06/86/09/1312068609.db2.gz RGSDKCHVCDNPGD-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO COCCCN1CCC(Oc2ccc(C(=O)CC[NH+](C)C)cc2)CC1 ZINC001229305466 1312075241 /nfs/dbraw/zinc/07/52/41/1312075241.db2.gz YGUCLKZGGLTNQN-UHFFFAOYSA-N 1 3 348.487 2.701 20 0 EFADHO CC[NH+](CC)Cc1ccc(Br)cc1-n1cnc(CN)c1 ZINC001162304731 1312084519 /nfs/dbraw/zinc/08/45/19/1312084519.db2.gz RJPIAIIOXBTHCO-UHFFFAOYSA-N 1 3 337.265 2.935 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015386116 1312089055 /nfs/dbraw/zinc/08/90/55/1312089055.db2.gz GUFSUDRYSRKMTN-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390372 1312090815 /nfs/dbraw/zinc/09/08/15/1312090815.db2.gz CDUXLALDGBLKKQ-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390372 1312090819 /nfs/dbraw/zinc/09/08/19/1312090819.db2.gz CDUXLALDGBLKKQ-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](Nc2nc(N3CCOCC3)cc3ccccc32)C1 ZINC001162395913 1312097911 /nfs/dbraw/zinc/09/79/11/1312097911.db2.gz WXIVZJCBEIJWJY-HZPDHXFCSA-N 1 3 326.444 2.753 20 0 EFADHO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc([C@@H](C)[NH+](C)C)c3)C[C@H]1N2C ZINC001229620289 1312120755 /nfs/dbraw/zinc/12/07/55/1312120755.db2.gz AZVKVHMHLKYXNT-WFKPPMRMSA-N 1 3 346.471 2.855 20 0 EFADHO C[NH+](C)CC[C@H](c1ccc(-n2nccc2CN)cc1)c1ccccn1 ZINC001162598158 1312132317 /nfs/dbraw/zinc/13/23/17/1312132317.db2.gz QNRTUHCZNZJKHE-LJQANCHMSA-N 1 3 335.455 2.810 20 0 EFADHO C[NH+](C)CC[C@@H](c1ccc(-n2nccc2CN)cc1)c1ccccn1 ZINC001162598157 1312132585 /nfs/dbraw/zinc/13/25/85/1312132585.db2.gz QNRTUHCZNZJKHE-IBGZPJMESA-N 1 3 335.455 2.810 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001229859695 1312150700 /nfs/dbraw/zinc/15/07/00/1312150700.db2.gz BUAZDRDOSGMZGP-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC001229868965 1312151986 /nfs/dbraw/zinc/15/19/86/1312151986.db2.gz RRBFFAYKLFEOBG-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497130 1312152822 /nfs/dbraw/zinc/15/28/22/1312152822.db2.gz AQLXLZIQIDUHNE-MJGOQNOKSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497130 1312152824 /nfs/dbraw/zinc/15/28/24/1312152824.db2.gz AQLXLZIQIDUHNE-MJGOQNOKSA-N 1 3 341.499 2.739 20 0 EFADHO CC1CCC(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001015498176 1312153081 /nfs/dbraw/zinc/15/30/81/1312153081.db2.gz IPQIHFKRTFFGJM-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCC(C[N@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001015498176 1312153084 /nfs/dbraw/zinc/15/30/84/1312153084.db2.gz IPQIHFKRTFFGJM-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015503550 1312156518 /nfs/dbraw/zinc/15/65/18/1312156518.db2.gz KHUQRLOWWHCYRO-FUHWJXTLSA-N 1 3 329.488 2.813 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001229909016 1312158837 /nfs/dbraw/zinc/15/88/37/1312158837.db2.gz RIMPKDSKCPOWIJ-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC001229909016 1312158841 /nfs/dbraw/zinc/15/88/41/1312158841.db2.gz RIMPKDSKCPOWIJ-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CC(C)C ZINC001229933344 1312161094 /nfs/dbraw/zinc/16/10/94/1312161094.db2.gz LOFSDPYJKDMIKT-DJIMGWMZSA-N 1 3 334.508 2.960 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821279 1312165223 /nfs/dbraw/zinc/16/52/23/1312165223.db2.gz XQXUOGDSNIROIT-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048821279 1312165224 /nfs/dbraw/zinc/16/52/24/1312165224.db2.gz XQXUOGDSNIROIT-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001162762798 1312170029 /nfs/dbraw/zinc/17/00/29/1312170029.db2.gz KYQXHHBVYSTHEO-ZFWWWQNUSA-N 1 3 348.454 2.644 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)CCCC[NH+](C)C)CC2)cs1 ZINC001230094227 1312185818 /nfs/dbraw/zinc/18/58/18/1312185818.db2.gz POKAOVZZJCCAAB-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832426 1312186771 /nfs/dbraw/zinc/18/67/71/1312186771.db2.gz SMUZEXHDSDZYDQ-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836612 1312187510 /nfs/dbraw/zinc/18/75/10/1312187510.db2.gz LRYDOZIBPMADFI-IBGZPJMESA-N 1 3 333.520 2.642 20 0 EFADHO CCN(C)C(C)(C)C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001162852035 1312190328 /nfs/dbraw/zinc/19/03/28/1312190328.db2.gz XYHWPLYXZZHCNH-UHFFFAOYSA-N 1 3 333.520 2.786 20 0 EFADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679521 1312204093 /nfs/dbraw/zinc/20/40/93/1312204093.db2.gz JGFMLRZMQHAHAT-PLNGDYQASA-N 1 3 335.536 2.903 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596965 1312204296 /nfs/dbraw/zinc/20/42/96/1312204296.db2.gz KUWVPXUARRSEGS-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596965 1312204300 /nfs/dbraw/zinc/20/43/00/1312204300.db2.gz KUWVPXUARRSEGS-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928827 1312206355 /nfs/dbraw/zinc/20/63/55/1312206355.db2.gz OPWSXVLAOISEOB-LJQANCHMSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162947004 1312208602 /nfs/dbraw/zinc/20/86/02/1312208602.db2.gz WOGWLGOEXAHBAA-UHFFFAOYSA-N 1 3 342.487 2.659 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605144 1312210909 /nfs/dbraw/zinc/21/09/09/1312210909.db2.gz HPCWGEPHWHJIQE-CMKODMSKSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605144 1312210913 /nfs/dbraw/zinc/21/09/13/1312210913.db2.gz HPCWGEPHWHJIQE-CMKODMSKSA-N 1 3 343.515 2.724 20 0 EFADHO CCN(CC)CC(=O)N(CC[NH2+]CC=C(C)C)CCc1ccccc1 ZINC001162960455 1312212529 /nfs/dbraw/zinc/21/25/29/1312212529.db2.gz UCKSJMXKOSPVNX-UHFFFAOYSA-N 1 3 345.531 2.955 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001048887583 1312225692 /nfs/dbraw/zinc/22/56/92/1312225692.db2.gz CJEXMBHKKMVJTJ-IJXRJRJASA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001048887583 1312225696 /nfs/dbraw/zinc/22/56/96/1312225696.db2.gz CJEXMBHKKMVJTJ-IJXRJRJASA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@H]2C1)N(C)C ZINC001048888556 1312227599 /nfs/dbraw/zinc/22/75/99/1312227599.db2.gz RBKWSXAYJSYVKJ-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@H]2C1)N(C)C ZINC001048888556 1312227603 /nfs/dbraw/zinc/22/76/03/1312227603.db2.gz RBKWSXAYJSYVKJ-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001230366823 1312230215 /nfs/dbraw/zinc/23/02/15/1312230215.db2.gz JOMJGSPMXYDYRE-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CNCc1cc(N[C@@H]2CC3(CC[NH2+]CC3)c3ccc(C)cc32)ncn1 ZINC001163031450 1312230227 /nfs/dbraw/zinc/23/02/27/1312230227.db2.gz PWOVKWIRHOXITQ-GOSISDBHSA-N 1 3 337.471 2.683 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001230366825 1312230450 /nfs/dbraw/zinc/23/04/50/1312230450.db2.gz JORBFYMJICPJCW-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001230366633 1312230643 /nfs/dbraw/zinc/23/06/43/1312230643.db2.gz AGEUNEOLRVJOEA-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC001230374419 1312232057 /nfs/dbraw/zinc/23/20/57/1312232057.db2.gz WMTMPWHPVQWECZ-UHFFFAOYSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC001230374341 1312232337 /nfs/dbraw/zinc/23/23/37/1312232337.db2.gz QZTPTGTXNILBQP-UHFFFAOYSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1csc2ncnc(Cl)c12 ZINC001163126930 1312246344 /nfs/dbraw/zinc/24/63/44/1312246344.db2.gz WATLXQCMJNLATP-UHFFFAOYSA-N 1 3 326.857 2.623 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2sc(C)cc21 ZINC001163126293 1312246349 /nfs/dbraw/zinc/24/63/49/1312246349.db2.gz QHQSWRVWOGAFQL-UHFFFAOYSA-N 1 3 340.884 2.931 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1nnc(-c2cccc(F)c2)cc1C ZINC001163128762 1312246799 /nfs/dbraw/zinc/24/67/99/1312246799.db2.gz CAMAOYULBNKCSU-UHFFFAOYSA-N 1 3 344.438 2.869 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001015654839 1312250713 /nfs/dbraw/zinc/25/07/13/1312250713.db2.gz GDIBZJJAMTXCBB-VQIMIIECSA-N 1 3 329.488 2.588 20 0 EFADHO CN1CCN(c2ccc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cc2)CC1 ZINC001163214937 1312265252 /nfs/dbraw/zinc/26/52/52/1312265252.db2.gz ALTKPGWDQNCTLE-RTWAWAEBSA-N 1 3 336.483 2.954 20 0 EFADHO Cc1nc(N[C@H]2CNCc3ccsc32)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001163220881 1312266686 /nfs/dbraw/zinc/26/66/86/1312266686.db2.gz IXVWUONTZWQTSL-DOMZBBRYSA-N 1 3 329.473 2.570 20 0 EFADHO c1cc2c(s1)[C@H](Nc1cncc([C@H]3C[NH+]4CCC3CC4)n1)CNC2 ZINC001163227176 1312269008 /nfs/dbraw/zinc/26/90/08/1312269008.db2.gz RCBNGGGHVGHKCB-GOEBONIOSA-N 1 3 341.484 2.604 20 0 EFADHO COc1cccc2c1OC[C@H]2Nc1cccc(N2CCC([NH3+])CC2)n1 ZINC001163229218 1312270158 /nfs/dbraw/zinc/27/01/58/1312270158.db2.gz JYUBUNCTGHBKLZ-OAHLLOKOSA-N 1 3 340.427 2.563 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230575321 1312270449 /nfs/dbraw/zinc/27/04/49/1312270449.db2.gz MTYBZVKVJFJDEO-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230575321 1312270451 /nfs/dbraw/zinc/27/04/51/1312270451.db2.gz MTYBZVKVJFJDEO-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001230576365 1312271210 /nfs/dbraw/zinc/27/12/10/1312271210.db2.gz XFFSKTQSUKKFHI-QGZVFWFLSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001230576365 1312271214 /nfs/dbraw/zinc/27/12/14/1312271214.db2.gz XFFSKTQSUKKFHI-QGZVFWFLSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230617600 1312285034 /nfs/dbraw/zinc/28/50/34/1312285034.db2.gz DFLXWNMDIYXFMQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230617600 1312285037 /nfs/dbraw/zinc/28/50/37/1312285037.db2.gz DFLXWNMDIYXFMQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230618895 1312286302 /nfs/dbraw/zinc/28/63/02/1312286302.db2.gz SKLRLYNWOWFYLP-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230618895 1312286306 /nfs/dbraw/zinc/28/63/06/1312286306.db2.gz SKLRLYNWOWFYLP-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230617892 1312286387 /nfs/dbraw/zinc/28/63/87/1312286387.db2.gz HJKCKHDUOFRXGU-WMZOPIPTSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230617892 1312286391 /nfs/dbraw/zinc/28/63/91/1312286391.db2.gz HJKCKHDUOFRXGU-WMZOPIPTSA-N 1 3 341.515 2.779 20 0 EFADHO COc1cccc([C@@H](C[NH3+])Nc2ncccc2CN2CCCC2)c1 ZINC001163314055 1312287724 /nfs/dbraw/zinc/28/77/24/1312287724.db2.gz UFJJIZTXERSJRO-GOSISDBHSA-N 1 3 326.444 2.798 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230629239 1312289323 /nfs/dbraw/zinc/28/93/23/1312289323.db2.gz MPRRQEOPCAHDCA-SJLPKXTDSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230629239 1312289327 /nfs/dbraw/zinc/28/93/27/1312289327.db2.gz MPRRQEOPCAHDCA-SJLPKXTDSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628917 1312289348 /nfs/dbraw/zinc/28/93/48/1312289348.db2.gz LFIUZQANTUCUSP-ROUUACIJSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628917 1312289352 /nfs/dbraw/zinc/28/93/52/1312289352.db2.gz LFIUZQANTUCUSP-ROUUACIJSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230628540 1312289490 /nfs/dbraw/zinc/28/94/90/1312289490.db2.gz JGSAPBWKBVSOLE-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230628540 1312289492 /nfs/dbraw/zinc/28/94/92/1312289492.db2.gz JGSAPBWKBVSOLE-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628921 1312289568 /nfs/dbraw/zinc/28/95/68/1312289568.db2.gz LFIUZQANTUCUSP-ZWKOTPCHSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628921 1312289572 /nfs/dbraw/zinc/28/95/72/1312289572.db2.gz LFIUZQANTUCUSP-ZWKOTPCHSA-N 1 3 341.515 2.778 20 0 EFADHO Fc1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1CN1CCCC1 ZINC001163332501 1312291839 /nfs/dbraw/zinc/29/18/39/1312291839.db2.gz KEYCIIUFYFJXTR-IEBWSBKVSA-N 1 3 333.451 2.745 20 0 EFADHO O=S(=O)(CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903078278 1312330996 /nfs/dbraw/zinc/33/09/96/1312330996.db2.gz FCLZYGNVMIDZLI-ZNXRZULTSA-N 1 3 348.512 2.598 20 0 EFADHO O=S(=O)(CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903078278 1312330999 /nfs/dbraw/zinc/33/09/99/1312330999.db2.gz FCLZYGNVMIDZLI-ZNXRZULTSA-N 1 3 348.512 2.598 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)CN(C)C1CCC1)Cc1cccnc1 ZINC001230778472 1312338846 /nfs/dbraw/zinc/33/88/46/1312338846.db2.gz PLIFTUGHDIMEIB-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)CN(C)C1CCC1)Cc1cccnc1 ZINC001230778472 1312338851 /nfs/dbraw/zinc/33/88/51/1312338851.db2.gz PLIFTUGHDIMEIB-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](Cc1cccnc1)CC1CCC1)N(C)C ZINC001230783433 1312341366 /nfs/dbraw/zinc/34/13/66/1312341366.db2.gz JDCYDJXLKCYWQP-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](Cc1cccnc1)CC1CCC1)N(C)C ZINC001230783433 1312341368 /nfs/dbraw/zinc/34/13/68/1312341368.db2.gz JDCYDJXLKCYWQP-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001015791894 1312361346 /nfs/dbraw/zinc/36/13/46/1312361346.db2.gz OTCSVPAIDZGAJR-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001015791894 1312361350 /nfs/dbraw/zinc/36/13/50/1312361350.db2.gz OTCSVPAIDZGAJR-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001015792409 1312361767 /nfs/dbraw/zinc/36/17/67/1312361767.db2.gz WTOVEALHVAUPOV-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001015792409 1312361771 /nfs/dbraw/zinc/36/17/71/1312361771.db2.gz WTOVEALHVAUPOV-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015793659 1312363664 /nfs/dbraw/zinc/36/36/64/1312363664.db2.gz BXMDROZLNMVHAP-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015793659 1312363666 /nfs/dbraw/zinc/36/36/66/1312363666.db2.gz BXMDROZLNMVHAP-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001015793878 1312364468 /nfs/dbraw/zinc/36/44/68/1312364468.db2.gz CSUIWSLCFUTSAV-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCN(CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC)Cc1cccnc1 ZINC001230871862 1312375387 /nfs/dbraw/zinc/37/53/87/1312375387.db2.gz SEAZARZJQPEZOX-IBGZPJMESA-N 1 3 348.535 2.776 20 0 EFADHO CCN(CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001230899087 1312384826 /nfs/dbraw/zinc/38/48/26/1312384826.db2.gz SAWMPKPUVIGZGW-RTBURBONSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC001163822157 1312388017 /nfs/dbraw/zinc/38/80/17/1312388017.db2.gz UBVYBDQCOKMZGE-CRAIPNDOSA-N 1 3 347.478 2.857 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230932105 1312395671 /nfs/dbraw/zinc/39/56/71/1312395671.db2.gz OFVLDQXRFQYUGN-IBGZPJMESA-N 1 3 346.519 2.673 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230932105 1312395673 /nfs/dbraw/zinc/39/56/73/1312395673.db2.gz OFVLDQXRFQYUGN-IBGZPJMESA-N 1 3 346.519 2.673 20 0 EFADHO CCC[N@H+](CCCNC(=O)[C@H]1CCCCN1CC)Cc1cccnc1 ZINC001230932518 1312396070 /nfs/dbraw/zinc/39/60/70/1312396070.db2.gz XNAIQDKAGHVGCY-LJQANCHMSA-N 1 3 346.519 2.674 20 0 EFADHO CCC[N@@H+](CCCNC(=O)[C@H]1CCCCN1CC)Cc1cccnc1 ZINC001230932518 1312396073 /nfs/dbraw/zinc/39/60/73/1312396073.db2.gz XNAIQDKAGHVGCY-LJQANCHMSA-N 1 3 346.519 2.674 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230932181 1312396186 /nfs/dbraw/zinc/39/61/86/1312396186.db2.gz OFVLDQXRFQYUGN-LJQANCHMSA-N 1 3 346.519 2.673 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230932181 1312396190 /nfs/dbraw/zinc/39/61/90/1312396190.db2.gz OFVLDQXRFQYUGN-LJQANCHMSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057682 1312412851 /nfs/dbraw/zinc/41/28/51/1312412851.db2.gz QMRPYBNZHZHBDV-QGZVKYPTSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057682 1312412854 /nfs/dbraw/zinc/41/28/54/1312412854.db2.gz QMRPYBNZHZHBDV-QGZVKYPTSA-N 1 3 341.499 2.622 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCC4)C[C@@H]3C2)C1 ZINC001049060165 1312414479 /nfs/dbraw/zinc/41/44/79/1312414479.db2.gz ODSOMUCMGZAXJM-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)C[C@@H]3C2)C1 ZINC001049060165 1312414482 /nfs/dbraw/zinc/41/44/82/1312414482.db2.gz ODSOMUCMGZAXJM-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC(=O)OCc1cccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000903159311 1312417059 /nfs/dbraw/zinc/41/70/59/1312417059.db2.gz FZNLVEBLTQWXIE-IAGOWNOFSA-N 1 3 348.487 2.901 20 0 EFADHO CC(=O)OCc1cccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000903159311 1312417063 /nfs/dbraw/zinc/41/70/63/1312417063.db2.gz FZNLVEBLTQWXIE-IAGOWNOFSA-N 1 3 348.487 2.901 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082904 1312435868 /nfs/dbraw/zinc/43/58/68/1312435868.db2.gz LCTYLUSUPMTLPD-XDNAFOTISA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082904 1312435872 /nfs/dbraw/zinc/43/58/72/1312435872.db2.gz LCTYLUSUPMTLPD-XDNAFOTISA-N 1 3 344.503 2.559 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001049083882 1312438321 /nfs/dbraw/zinc/43/83/21/1312438321.db2.gz XNMRBAFREWLYCY-HDICACEKSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCC3CCCCCC3)C[C@@H]2C1 ZINC001049083882 1312438323 /nfs/dbraw/zinc/43/83/23/1312438323.db2.gz XNMRBAFREWLYCY-HDICACEKSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001015925682 1312451597 /nfs/dbraw/zinc/45/15/97/1312451597.db2.gz BSLDKOYFCKEUJH-HXUWFJFHSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](NCc1cc(N(C)C)ccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903202214 1312458818 /nfs/dbraw/zinc/45/88/18/1312458818.db2.gz ZVJDIYUXXCZTHV-INIZCTEOSA-N 1 3 342.487 2.939 20 0 EFADHO CN(C)C1(CNc2ccc(-c3c[nH]c(=S)[nH]3)cc2)CC[NH+](C)CC1 ZINC001164210210 1312468567 /nfs/dbraw/zinc/46/85/67/1312468567.db2.gz AQZDMWAGKFQDOK-UHFFFAOYSA-N 1 3 345.516 2.803 20 0 EFADHO CCN(CC)C(=O)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164211732 1312469165 /nfs/dbraw/zinc/46/91/65/1312469165.db2.gz QWPUKHLUXIALME-UHFFFAOYSA-N 1 3 346.519 2.607 20 0 EFADHO CN(C)C1(CNc2ccc(OCC3CCC3)nc2)CC[NH+](C)CC1 ZINC001164212793 1312469401 /nfs/dbraw/zinc/46/94/01/1312469401.db2.gz DBNOOHGVUWZAQS-UHFFFAOYSA-N 1 3 332.492 2.698 20 0 EFADHO CN(C)C1(CNc2cccc3c2C(C)(C)CC(=O)N3)CC[NH+](C)CC1 ZINC001164216433 1312470822 /nfs/dbraw/zinc/47/08/22/1312470822.db2.gz ATWKPTIATCOHCN-UHFFFAOYSA-N 1 3 344.503 2.744 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2cnc3c2CNCC3)nc1 ZINC001164317756 1312491172 /nfs/dbraw/zinc/49/11/72/1312491172.db2.gz YDYZCJBSLPMGAF-QGZVFWFLSA-N 1 3 325.460 2.850 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2cnc3c2CNCC3)nc1 ZINC001164317756 1312491176 /nfs/dbraw/zinc/49/11/76/1312491176.db2.gz YDYZCJBSLPMGAF-QGZVFWFLSA-N 1 3 325.460 2.850 20 0 EFADHO CC(C)(C)OC(=O)NC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903239266 1312491344 /nfs/dbraw/zinc/49/13/44/1312491344.db2.gz JLZVCFISJLHYDG-VHRNVKJDSA-N 1 3 335.492 2.791 20 0 EFADHO CC(C)(C)OC(=O)NC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903239266 1312491347 /nfs/dbraw/zinc/49/13/47/1312491347.db2.gz JLZVCFISJLHYDG-VHRNVKJDSA-N 1 3 335.492 2.791 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCC4)C[C@@H]3C2)CC1 ZINC001049132455 1312495458 /nfs/dbraw/zinc/49/54/58/1312495458.db2.gz TVNMXCWEWMDAQH-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)C[C@@H]3C2)CC1 ZINC001049132455 1312495461 /nfs/dbraw/zinc/49/54/61/1312495461.db2.gz TVNMXCWEWMDAQH-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1nc(C)ccc1[O-] ZINC001231674154 1312548134 /nfs/dbraw/zinc/54/81/34/1312548134.db2.gz BWOMQWDGLXUUBJ-UHFFFAOYSA-N 1 3 336.524 2.581 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)c2)cn1 ZINC001165083584 1312564642 /nfs/dbraw/zinc/56/46/42/1312564642.db2.gz YLVRWPZHWMHVAI-ICSRJNTNSA-N 1 3 345.450 2.978 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)c2)cn1 ZINC001165083584 1312564645 /nfs/dbraw/zinc/56/46/45/1312564645.db2.gz YLVRWPZHWMHVAI-ICSRJNTNSA-N 1 3 345.450 2.978 20 0 EFADHO CC[C@H](CN1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000903343490 1312583928 /nfs/dbraw/zinc/58/39/28/1312583928.db2.gz QPUSATYXLNFNGX-NSHGMRRFSA-N 1 3 337.552 2.730 20 0 EFADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165223260 1312590361 /nfs/dbraw/zinc/59/03/61/1312590361.db2.gz MGQVQLVOWFLEKT-KRWDZBQOSA-N 1 3 325.460 2.850 20 0 EFADHO CCC[N@H+]1CCCC[C@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165223260 1312590365 /nfs/dbraw/zinc/59/03/65/1312590365.db2.gz MGQVQLVOWFLEKT-KRWDZBQOSA-N 1 3 325.460 2.850 20 0 EFADHO CN1c2ccccc2[C@@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001232015586 1312606109 /nfs/dbraw/zinc/60/61/09/1312606109.db2.gz YYIRFGHOYLEHIV-FQEVSTJZSA-N 1 3 332.407 2.683 20 0 EFADHO CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001232015586 1312606111 /nfs/dbraw/zinc/60/61/11/1312606111.db2.gz YYIRFGHOYLEHIV-FQEVSTJZSA-N 1 3 332.407 2.683 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231459 1312606248 /nfs/dbraw/zinc/60/62/48/1312606248.db2.gz BAALBCBSRDZIMQ-ZYSHUDEJSA-N 1 3 347.478 2.500 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231459 1312606250 /nfs/dbraw/zinc/60/62/50/1312606250.db2.gz BAALBCBSRDZIMQ-ZYSHUDEJSA-N 1 3 347.478 2.500 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231975 1312607009 /nfs/dbraw/zinc/60/70/09/1312607009.db2.gz QALWVAIFOVRHFC-XLAORIBOSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231975 1312607013 /nfs/dbraw/zinc/60/70/13/1312607013.db2.gz QALWVAIFOVRHFC-XLAORIBOSA-N 1 3 335.536 2.686 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001049232976 1312607688 /nfs/dbraw/zinc/60/76/88/1312607688.db2.gz GWLCYBQLGZBJLE-KSZLIROESA-N 1 3 347.528 2.513 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001049232976 1312607690 /nfs/dbraw/zinc/60/76/90/1312607690.db2.gz GWLCYBQLGZBJLE-KSZLIROESA-N 1 3 347.528 2.513 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165321022 1312608508 /nfs/dbraw/zinc/60/85/08/1312608508.db2.gz VHNMRZTYTANUJC-KRWDZBQOSA-N 1 3 329.492 2.744 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235739 1312610626 /nfs/dbraw/zinc/61/06/26/1312610626.db2.gz TXALBVUERUSFMO-NXHRZFHOSA-N 1 3 347.478 2.500 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049235739 1312610629 /nfs/dbraw/zinc/61/06/29/1312610629.db2.gz TXALBVUERUSFMO-NXHRZFHOSA-N 1 3 347.478 2.500 20 0 EFADHO Cc1cc(Br)cnc1CN(C)CC1CC[NH+](C)CC1 ZINC001232049127 1312612956 /nfs/dbraw/zinc/61/29/56/1312612956.db2.gz QGDVMAXAKGWDKK-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO Cc1nnc([C@H]2CCCN(Cc3cc(F)cc(C[NH+](C)C)c3)C2)o1 ZINC001232148968 1312634067 /nfs/dbraw/zinc/63/40/67/1312634067.db2.gz HIAJOJITSSOOQG-INIZCTEOSA-N 1 3 332.423 2.958 20 0 EFADHO c1ccc(C[NH+]2CC(CNc3ccc4c(c3)COC43CNC3)C2)cc1 ZINC001165469294 1312634743 /nfs/dbraw/zinc/63/47/43/1312634743.db2.gz NZZOYIJRYPMEFS-UHFFFAOYSA-N 1 3 335.451 2.559 20 0 EFADHO CC(=O)N1CCCC[C@@]12CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232146760 1312634756 /nfs/dbraw/zinc/63/47/56/1312634756.db2.gz GQHKARIYFYGEAB-FQEVSTJZSA-N 1 3 347.478 2.864 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)C1CC1 ZINC001165485491 1312636807 /nfs/dbraw/zinc/63/68/07/1312636807.db2.gz XPGNAEXPZTXUQQ-GOSISDBHSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC001165485476 1312636898 /nfs/dbraw/zinc/63/68/98/1312636898.db2.gz XAYOMIGUYGKILY-VQIMIIECSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC001165485474 1312637201 /nfs/dbraw/zinc/63/72/01/1312637201.db2.gz XAYOMIGUYGKILY-LPHOPBHVSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001165609633 1312653024 /nfs/dbraw/zinc/65/30/24/1312653024.db2.gz KRKZVIKRNZXNNV-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865430 1314431640 /nfs/dbraw/zinc/43/16/40/1314431640.db2.gz OFRDETKQHPBVIA-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865430 1314431643 /nfs/dbraw/zinc/43/16/43/1314431643.db2.gz OFRDETKQHPBVIA-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126120 1314437291 /nfs/dbraw/zinc/43/72/91/1314437291.db2.gz NIYGQRPPVJYMRP-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2)CC1 ZINC001052897800 1314458825 /nfs/dbraw/zinc/45/88/25/1314458825.db2.gz NBOHRPAUARLGQK-GOSISDBHSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001052897800 1314458827 /nfs/dbraw/zinc/45/88/27/1314458827.db2.gz NBOHRPAUARLGQK-GOSISDBHSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001052898619 1314460010 /nfs/dbraw/zinc/46/00/10/1314460010.db2.gz GBOVBHMODMDFKE-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001052898619 1314460012 /nfs/dbraw/zinc/46/00/12/1314460012.db2.gz GBOVBHMODMDFKE-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241710 1314462750 /nfs/dbraw/zinc/46/27/50/1314462750.db2.gz WTNRQODPPVVGQR-MSOLQXFVSA-N 1 3 335.467 2.691 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269304 1314466557 /nfs/dbraw/zinc/46/65/57/1314466557.db2.gz PMJUGMKVTUOGPG-GOSISDBHSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268903 1314466920 /nfs/dbraw/zinc/46/69/20/1314466920.db2.gz LSHJPONCCUXKSK-ROUUACIJSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001211284229 1314468806 /nfs/dbraw/zinc/46/88/06/1314468806.db2.gz JTCSKRBHLKLYSH-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211283192 1314469068 /nfs/dbraw/zinc/46/90/68/1314469068.db2.gz FCMZSGWMKQCEDT-HKUYNNGSSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211282574 1314469231 /nfs/dbraw/zinc/46/92/31/1314469231.db2.gz BUTJUHUWDIDBIC-KRWDZBQOSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCC1 ZINC001211367214 1314485286 /nfs/dbraw/zinc/48/52/86/1314485286.db2.gz PWMNUSNSUGITCI-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCC1 ZINC001211367214 1314485290 /nfs/dbraw/zinc/48/52/90/1314485290.db2.gz PWMNUSNSUGITCI-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO c1cc(C2=CC[C@@H](N3CCOCC3)CC2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001245426847 1314488715 /nfs/dbraw/zinc/48/87/15/1314488715.db2.gz KFIRZTWMOYPKGF-UYAOXDASSA-N 1 3 328.456 2.695 20 0 EFADHO Nc1[nH+]ccn1Cc1cccc(C2=CC[C@H](N3CCOCC3)CC2)c1 ZINC001245425173 1314488756 /nfs/dbraw/zinc/48/87/56/1314488756.db2.gz FQDVLOQDAJTVDY-IBGZPJMESA-N 1 3 338.455 2.782 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)CC2)c1 ZINC001052954791 1314514199 /nfs/dbraw/zinc/51/41/99/1314514199.db2.gz SGUZPNDFQHMXID-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)c1 ZINC001052954791 1314514202 /nfs/dbraw/zinc/51/42/02/1314514202.db2.gz SGUZPNDFQHMXID-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001019820199 1314515463 /nfs/dbraw/zinc/51/54/63/1314515463.db2.gz ALFFFWIINXGQRC-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001019820633 1314515915 /nfs/dbraw/zinc/51/59/15/1314515915.db2.gz RPNVDXSZBQGVCT-ROUUACIJSA-N 1 3 349.906 2.905 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001019820425 1314515971 /nfs/dbraw/zinc/51/59/71/1314515971.db2.gz JYJKULOPZXHBHO-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001019820473 1314516333 /nfs/dbraw/zinc/51/63/33/1314516333.db2.gz LMOOEXAEPZDIQU-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001019820476 1314516401 /nfs/dbraw/zinc/51/64/01/1314516401.db2.gz LOZVVVBWVMBJCV-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO O=C(CCC1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052987048 1314544247 /nfs/dbraw/zinc/54/42/47/1314544247.db2.gz BSBPUHYPUFMEAS-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CC[C@H](CNC[C@H](O)COc2cccc3ccccc32)C[NH2+]1 ZINC001245970236 1314557031 /nfs/dbraw/zinc/55/70/31/1314557031.db2.gz BJXUYXCFJYHNOH-NUJGCVRESA-N 1 3 328.456 2.557 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001245975995 1314557696 /nfs/dbraw/zinc/55/76/96/1314557696.db2.gz SDQYQBLNUUIMNW-XUVXKRRUSA-N 1 3 346.421 2.863 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)CNC[C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC001245982231 1314558960 /nfs/dbraw/zinc/55/89/60/1314558960.db2.gz CRFGKRFVFUVFRG-CMKODMSKSA-N 1 3 332.488 2.529 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980561 1314559004 /nfs/dbraw/zinc/55/90/04/1314559004.db2.gz BUTIQWDEHJLFHT-PJVZLEMVSA-N 1 3 326.525 2.558 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245985487 1314559770 /nfs/dbraw/zinc/55/97/70/1314559770.db2.gz UDRWKYPSQRIIMW-XYJFISCASA-N 1 3 334.504 2.702 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC001245985471 1314560238 /nfs/dbraw/zinc/56/02/38/1314560238.db2.gz LLZDOXOBPNLNJZ-WAOWUJCRSA-N 1 3 346.515 2.703 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1C ZINC001245988954 1314560390 /nfs/dbraw/zinc/56/03/90/1314560390.db2.gz RWGBXLDNFAMUQO-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO O[C@@]1(C[NH2+]CCc2ccc(Oc3ccccc3)cc2)CCCNC1 ZINC001245988366 1314560754 /nfs/dbraw/zinc/56/07/54/1314560754.db2.gz PBDQIIFVSYRRIA-FQEVSTJZSA-N 1 3 326.440 2.726 20 0 EFADHO O[C@@]1(CNCCc2ccc(Oc3ccccc3)cc2)CCC[NH2+]C1 ZINC001245988366 1314560756 /nfs/dbraw/zinc/56/07/56/1314560756.db2.gz PBDQIIFVSYRRIA-FQEVSTJZSA-N 1 3 326.440 2.726 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CC2(N)CCCCC2)cc1 ZINC001245995953 1314562025 /nfs/dbraw/zinc/56/20/25/1314562025.db2.gz UETVFPMFUDNTOP-QGZVFWFLSA-N 1 3 334.504 2.975 20 0 EFADHO CC(C)(Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246000614 1314563382 /nfs/dbraw/zinc/56/33/82/1314563382.db2.gz NBROOCPNXHNEIC-MRXNPFEDSA-N 1 3 330.394 2.731 20 0 EFADHO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246009666 1314565274 /nfs/dbraw/zinc/56/52/74/1314565274.db2.gz YXQUZWDDSUUCOQ-MRXNPFEDSA-N 1 3 330.394 2.731 20 0 EFADHO O[C@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COc1cccc2ccccc21 ZINC001246020965 1314566387 /nfs/dbraw/zinc/56/63/87/1314566387.db2.gz QQJJLCIXJYZJCB-NQIIRXRSSA-N 1 3 340.467 2.557 20 0 EFADHO C[C@@]1(C[NH3+])CCCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001246019592 1314566683 /nfs/dbraw/zinc/56/66/83/1314566683.db2.gz GFQOEGGONMVJQC-RDJZCZTQSA-N 1 3 326.868 2.531 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@@H](C2CCC2)C2C[NH2+]C2)cc1 ZINC001246018399 1314566923 /nfs/dbraw/zinc/56/69/23/1314566923.db2.gz FIKVXEVOPASOMD-QUCCMNQESA-N 1 3 346.515 2.702 20 0 EFADHO CCC[C@H](O)C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022787 1314568241 /nfs/dbraw/zinc/56/82/41/1314568241.db2.gz BKZBWUWTHNETHV-UXHICEINSA-N 1 3 346.515 2.951 20 0 EFADHO CCC[C@H](O)C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022787 1314568246 /nfs/dbraw/zinc/56/82/46/1314568246.db2.gz BKZBWUWTHNETHV-UXHICEINSA-N 1 3 346.515 2.951 20 0 EFADHO [NH3+]C[C@H]1CCCCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC001246034143 1314570898 /nfs/dbraw/zinc/57/08/98/1314570898.db2.gz MUVBLHCTQVFXNJ-SJLPKXTDSA-N 1 3 328.456 2.640 20 0 EFADHO O[C@@]1(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCCNC1 ZINC001246044736 1314571897 /nfs/dbraw/zinc/57/18/97/1314571897.db2.gz QHEJVTPGSQWQQV-KRWDZBQOSA-N 1 3 342.405 2.999 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001246045356 1314572096 /nfs/dbraw/zinc/57/20/96/1314572096.db2.gz UISHEQYJFHFKEH-BHIFYINESA-N 1 3 338.495 2.872 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001246045356 1314572100 /nfs/dbraw/zinc/57/21/00/1314572100.db2.gz UISHEQYJFHFKEH-BHIFYINESA-N 1 3 338.495 2.872 20 0 EFADHO C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246050735 1314574730 /nfs/dbraw/zinc/57/47/30/1314574730.db2.gz ZIFLZMWJPXXGCM-QTJFZDIUSA-N 1 3 346.421 2.642 20 0 EFADHO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246050735 1314574735 /nfs/dbraw/zinc/57/47/35/1314574735.db2.gz ZIFLZMWJPXXGCM-QTJFZDIUSA-N 1 3 346.421 2.642 20 0 EFADHO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@]1(O)CCCNC1 ZINC001246053313 1314575340 /nfs/dbraw/zinc/57/53/40/1314575340.db2.gz QFQPFCQKNHNEES-SFTDATJTSA-N 1 3 342.483 2.698 20 0 EFADHO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@]1(O)CCCNC1 ZINC001246053313 1314575343 /nfs/dbraw/zinc/57/53/43/1314575343.db2.gz QFQPFCQKNHNEES-SFTDATJTSA-N 1 3 342.483 2.698 20 0 EFADHO CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@]1(O)CCCNC1 ZINC001246053309 1314575787 /nfs/dbraw/zinc/57/57/87/1314575787.db2.gz QFQPFCQKNHNEES-RTWAWAEBSA-N 1 3 342.483 2.698 20 0 EFADHO CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@]1(O)CCCNC1 ZINC001246053309 1314575791 /nfs/dbraw/zinc/57/57/91/1314575791.db2.gz QFQPFCQKNHNEES-RTWAWAEBSA-N 1 3 342.483 2.698 20 0 EFADHO CCCN(C[C@H](O)COc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001246065887 1314578349 /nfs/dbraw/zinc/57/83/49/1314578349.db2.gz JXJUQHYMEGTJCL-MJGOQNOKSA-N 1 3 334.504 2.871 20 0 EFADHO CC(C)C[N@H+](C[C@@H](O)CCOCc1ccccc1)[C@@H]1CCCNC1 ZINC001246071365 1314579022 /nfs/dbraw/zinc/57/90/22/1314579022.db2.gz ZSXJWXFNYKNXNS-UXHICEINSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)C[N@@H+](C[C@@H](O)CCOCc1ccccc1)[C@@H]1CCCNC1 ZINC001246071365 1314579027 /nfs/dbraw/zinc/57/90/27/1314579027.db2.gz ZSXJWXFNYKNXNS-UXHICEINSA-N 1 3 334.504 2.664 20 0 EFADHO CCCN(C[C@@H](O)COc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001246069392 1314579656 /nfs/dbraw/zinc/57/96/56/1314579656.db2.gz XLSYOVGGEKJBRH-PKOBYXMFSA-N 1 3 342.483 2.901 20 0 EFADHO O[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCNC[C@@H]1F ZINC001246082055 1314581295 /nfs/dbraw/zinc/58/12/95/1314581295.db2.gz LHAISSLOGXCWED-UHOFOFEASA-N 1 3 347.261 2.503 20 0 EFADHO Brc1ccc(N2CCC([NH2+]C3CCNCC3)CC2)cc1 ZINC001246082955 1314581427 /nfs/dbraw/zinc/58/14/27/1314581427.db2.gz ZAINTKFORUHUEA-UHFFFAOYSA-N 1 3 338.293 2.760 20 0 EFADHO O[C@]1(CN[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCC[NH2+]C1 ZINC001246094188 1314581734 /nfs/dbraw/zinc/58/17/34/1314581734.db2.gz DIZQRPJFSRLWQV-RHSMWYFYSA-N 1 3 343.298 2.945 20 0 EFADHO O[C@]1(C[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CCCCNC1 ZINC001246094188 1314581738 /nfs/dbraw/zinc/58/17/38/1314581738.db2.gz DIZQRPJFSRLWQV-RHSMWYFYSA-N 1 3 343.298 2.945 20 0 EFADHO F[C@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246106367 1314583390 /nfs/dbraw/zinc/58/33/90/1314583390.db2.gz FSWZZIQGWRTVHK-WPVAHCMFSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246106367 1314583394 /nfs/dbraw/zinc/58/33/94/1314583394.db2.gz FSWZZIQGWRTVHK-WPVAHCMFSA-N 1 3 331.479 2.862 20 0 EFADHO COc1ccc(Br)c(CCN[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246108631 1314583453 /nfs/dbraw/zinc/58/34/53/1314583453.db2.gz KLKCTFUNDHBRFB-DGCLKSJQSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)c(CC[NH2+][C@@H]2CCN[C@H](C)C2)c1 ZINC001246108631 1314583458 /nfs/dbraw/zinc/58/34/58/1314583458.db2.gz KLKCTFUNDHBRFB-DGCLKSJQSA-N 1 3 327.266 2.730 20 0 EFADHO Clc1cc(Cl)c2c(c1)CC[C@H](NC[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001246133863 1314587438 /nfs/dbraw/zinc/58/74/38/1314587438.db2.gz KHYDXJJLHYLOGS-JDFRZJQESA-N 1 3 341.282 2.676 20 0 EFADHO CC[C@@H]1CC(NCC2(N3CCOCC3)CCCCC2)C[C@@H](CC)[NH2+]1 ZINC001246171019 1314592140 /nfs/dbraw/zinc/59/21/40/1314592140.db2.gz PKPWZIZGTRXFNS-QZTJIDSGSA-N 1 3 337.552 2.920 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246218107 1314598673 /nfs/dbraw/zinc/59/86/73/1314598673.db2.gz LQUYNJHQAPODEI-DAXOMENPSA-N 1 3 329.271 2.817 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029789 1314603486 /nfs/dbraw/zinc/60/34/86/1314603486.db2.gz WAGYMADIJRQWDJ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029789 1314603491 /nfs/dbraw/zinc/60/34/91/1314603491.db2.gz WAGYMADIJRQWDJ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029804 1314603746 /nfs/dbraw/zinc/60/37/46/1314603746.db2.gz WDFNNZWIACRFDP-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029804 1314603750 /nfs/dbraw/zinc/60/37/50/1314603750.db2.gz WDFNNZWIACRFDP-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[NH2+]CCNC1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001246268810 1314604792 /nfs/dbraw/zinc/60/47/92/1314604792.db2.gz ATUKKKMBQITDNT-UHFFFAOYSA-N 1 3 338.879 2.893 20 0 EFADHO CC1(C)C[C@H]([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C(C)(C)N1O ZINC001246285299 1314606372 /nfs/dbraw/zinc/60/63/72/1314606372.db2.gz HTOMOPNWOCVWTP-KURKYZTESA-N 1 3 331.504 2.960 20 0 EFADHO Fc1ccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246334810 1314611490 /nfs/dbraw/zinc/61/14/90/1314611490.db2.gz FCHYNTSXQWFLRQ-HUUCEWRRSA-N 1 3 345.384 2.677 20 0 EFADHO Fc1ccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246334808 1314612037 /nfs/dbraw/zinc/61/20/37/1314612037.db2.gz FCHYNTSXQWFLRQ-CABCVRRESA-N 1 3 345.384 2.677 20 0 EFADHO Clc1ccc(Cl)c(CN[C@H]2CCNC3(C[NH2+]C3)C2)c1Cl ZINC001246345699 1314613304 /nfs/dbraw/zinc/61/33/04/1314613304.db2.gz KBNQTFJIWHODBA-VIFPVBQESA-N 1 3 334.678 2.830 20 0 EFADHO FC1(F)CCCN(CC[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246344169 1314613340 /nfs/dbraw/zinc/61/33/40/1314613340.db2.gz XYMVHBVMMALZNT-ROUUACIJSA-N 1 3 337.458 2.670 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@H](C)CCc1ccc(Br)cc1 ZINC001246346897 1314614202 /nfs/dbraw/zinc/61/42/02/1314614202.db2.gz GOVWZADOBURICC-UHOFOFEASA-N 1 3 341.293 2.737 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@@H](C)NC3)CC2)c1 ZINC001246359800 1314615414 /nfs/dbraw/zinc/61/54/14/1314615414.db2.gz PGPRRPPDROFXJG-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC(N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC001246359800 1314615416 /nfs/dbraw/zinc/61/54/16/1314615416.db2.gz PGPRRPPDROFXJG-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CCN[C@H](C)C3)CC2)c1 ZINC001246359255 1314615449 /nfs/dbraw/zinc/61/54/49/1314615449.db2.gz MWLRYTBIIUVYTQ-RHSMWYFYSA-N 1 3 335.467 2.529 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001053038066 1314616554 /nfs/dbraw/zinc/61/65/54/1314616554.db2.gz FFVIFMVCLANBAH-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001053038066 1314616558 /nfs/dbraw/zinc/61/65/58/1314616558.db2.gz FFVIFMVCLANBAH-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038444 1314617682 /nfs/dbraw/zinc/61/76/82/1314617682.db2.gz IBSIJESJOYQKHX-SJORKVTESA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038444 1314617685 /nfs/dbraw/zinc/61/76/85/1314617685.db2.gz IBSIJESJOYQKHX-SJORKVTESA-N 1 3 332.492 2.559 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001053040915 1314621078 /nfs/dbraw/zinc/62/10/78/1314621078.db2.gz WYZQTXRLNXYGQN-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001053040915 1314621083 /nfs/dbraw/zinc/62/10/83/1314621083.db2.gz WYZQTXRLNXYGQN-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041069 1314621620 /nfs/dbraw/zinc/62/16/20/1314621620.db2.gz XHYYDMBZEOWSMQ-ZWKOTPCHSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041069 1314621625 /nfs/dbraw/zinc/62/16/25/1314621625.db2.gz XHYYDMBZEOWSMQ-ZWKOTPCHSA-N 1 3 346.519 2.949 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4c(cccc4F)C3=O)CC2)CCN1 ZINC001246392724 1314621547 /nfs/dbraw/zinc/62/15/47/1314621547.db2.gz IJTVMTMOOLUQGI-LVQVYYBASA-N 1 3 345.462 2.823 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4cc(F)ccc4C3=O)CC2)CCN1 ZINC001246394042 1314622407 /nfs/dbraw/zinc/62/24/07/1314622407.db2.gz LJTDHLUMKFIFFS-RUGDWHBFSA-N 1 3 345.462 2.823 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041447 1314622821 /nfs/dbraw/zinc/62/28/21/1314622821.db2.gz ZWJIMXDDLZBTJZ-IAGOWNOFSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041447 1314622825 /nfs/dbraw/zinc/62/28/25/1314622825.db2.gz ZWJIMXDDLZBTJZ-IAGOWNOFSA-N 1 3 332.492 2.703 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042669 1314623385 /nfs/dbraw/zinc/62/33/85/1314623385.db2.gz QOSOUWFPVAFFEO-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042669 1314623388 /nfs/dbraw/zinc/62/33/88/1314623388.db2.gz QOSOUWFPVAFFEO-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246404903 1314624537 /nfs/dbraw/zinc/62/45/37/1314624537.db2.gz ITJGPPDNYFVBHR-ZACQAIPSSA-N 1 3 341.503 2.755 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CCNCC2)C1 ZINC001246428213 1314627496 /nfs/dbraw/zinc/62/74/96/1314627496.db2.gz FUENBICUBKUUKI-FUHWJXTLSA-N 1 3 330.472 2.977 20 0 EFADHO Fc1cccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246437016 1314629312 /nfs/dbraw/zinc/62/93/12/1314629312.db2.gz MEJDEVAZRZRBNJ-LSDHHAIUSA-N 1 3 345.384 2.677 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001020144047 1314631211 /nfs/dbraw/zinc/63/12/11/1314631211.db2.gz OURQVKWNOHZCHY-CPLYBDICSA-N 1 3 335.536 2.922 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246482658 1314634675 /nfs/dbraw/zinc/63/46/75/1314634675.db2.gz HOXGLCGQQBCOPT-NVXWUHKLSA-N 1 3 348.487 2.680 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246482660 1314635082 /nfs/dbraw/zinc/63/50/82/1314635082.db2.gz HOXGLCGQQBCOPT-WBVHZDCISA-N 1 3 348.487 2.680 20 0 EFADHO CC[C@@H]1CC(N[C@@H](CN2CCOCC2)C(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246486491 1314635635 /nfs/dbraw/zinc/63/56/35/1314635635.db2.gz BXPCIMAGHDUJDR-NUJGCVRESA-N 1 3 325.541 2.632 20 0 EFADHO CC(C)(C)[C@@H](CN1CCOCC1)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246486480 1314635885 /nfs/dbraw/zinc/63/58/85/1314635885.db2.gz BVHVINILJIZNLA-ZWKOTPCHSA-N 1 3 337.552 2.778 20 0 EFADHO COc1cccc2c1CC[C@@H]([NH+]1CCC(C3=CC=C(N)CN3)CC1)C2 ZINC001246493357 1314637083 /nfs/dbraw/zinc/63/70/83/1314637083.db2.gz GMUYWQSWMYTGGQ-GOSISDBHSA-N 1 3 339.483 2.594 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)N1CCCCC1 ZINC001020151033 1314637454 /nfs/dbraw/zinc/63/74/54/1314637454.db2.gz IRLKEQAMRZUCMW-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO CCCC[C@@H]1C[C@H](N[C@@H](CN2CCOCC2)C(C)(C)C)CC[NH2+]1 ZINC001246495353 1314638007 /nfs/dbraw/zinc/63/80/07/1314638007.db2.gz XDAOYPODLPNOOH-KURKYZTESA-N 1 3 325.541 2.634 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)NC1 ZINC001246495493 1314638236 /nfs/dbraw/zinc/63/82/36/1314638236.db2.gz PPMMVEQCIHDFMY-KRWDZBQOSA-N 1 3 327.447 2.725 20 0 EFADHO Fc1ccc(N2CCN([C@H]3CCC4(C[NH2+]C4)C3)CC2)c(F)c1Cl ZINC001246534030 1314643145 /nfs/dbraw/zinc/64/31/45/1314643145.db2.gz FIPOPFSRELWTBN-LBPRGKRZSA-N 1 3 341.833 2.882 20 0 EFADHO COc1cc(C[C@H](C)N2CCC[C@](C)([NH3+])CC2)cc(OC)c1OC ZINC001246552394 1314647206 /nfs/dbraw/zinc/64/72/06/1314647206.db2.gz OEPYOCAYBVLCGN-LIRRHRJNSA-N 1 3 336.476 2.847 20 0 EFADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562608 1314649030 /nfs/dbraw/zinc/64/90/30/1314649030.db2.gz UPKOXBOUAWBTJV-FPOVZHCZSA-N 1 3 345.531 2.605 20 0 EFADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562608 1314649033 /nfs/dbraw/zinc/64/90/33/1314649033.db2.gz UPKOXBOUAWBTJV-FPOVZHCZSA-N 1 3 345.531 2.605 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccccc3F)C2)CC[N@@H+]1C ZINC001020174924 1314650413 /nfs/dbraw/zinc/65/04/13/1314650413.db2.gz YGVBGXOOTUXQEH-PVYRDQNTSA-N 1 3 347.478 2.854 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](N[C@H](C)c3ccccc3F)C2)CC[N@H+]1C ZINC001020174924 1314650416 /nfs/dbraw/zinc/65/04/16/1314650416.db2.gz YGVBGXOOTUXQEH-PVYRDQNTSA-N 1 3 347.478 2.854 20 0 EFADHO C[C@]1(CN)CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587933 1314652684 /nfs/dbraw/zinc/65/26/84/1314652684.db2.gz WXVAXXBRKQBRNP-AZUAARDMSA-N 1 3 329.488 2.742 20 0 EFADHO C[C@]1(CN)CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587933 1314652688 /nfs/dbraw/zinc/65/26/88/1314652688.db2.gz WXVAXXBRKQBRNP-AZUAARDMSA-N 1 3 329.488 2.742 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246610734 1314656876 /nfs/dbraw/zinc/65/68/76/1314656876.db2.gz RMBOMUAGFAUEGF-HRCADAONSA-N 1 3 333.442 2.915 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H](N2CCCC[C@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246610740 1314657606 /nfs/dbraw/zinc/65/76/06/1314657606.db2.gz RMBOMUAGFAUEGF-PMPSAXMXSA-N 1 3 333.442 2.915 20 0 EFADHO c1ccc2c(c1)CCC21CCC([N@@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246619487 1314658431 /nfs/dbraw/zinc/65/84/31/1314658431.db2.gz RWHGWQRYXLNLMK-IITXJAJYSA-N 1 3 339.527 2.839 20 0 EFADHO c1ccc2c(c1)CCC21CCC([N@H+]2CCN[C@H]3CCNCC[C@@H]32)CC1 ZINC001246619487 1314658434 /nfs/dbraw/zinc/65/84/34/1314658434.db2.gz RWHGWQRYXLNLMK-IITXJAJYSA-N 1 3 339.527 2.839 20 0 EFADHO Fc1ccc2c(c1)CC[C@@H](N1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)C2 ZINC001246659574 1314666330 /nfs/dbraw/zinc/66/63/30/1314666330.db2.gz XZFNBWLDKZBDEO-IMJJTQAJSA-N 1 3 328.353 2.767 20 0 EFADHO COc1cccc2c1C[C@@H](N1CCC([C@H]3CCCC[NH2+]3)CC1)CO2 ZINC001246665849 1314666797 /nfs/dbraw/zinc/66/67/97/1314666797.db2.gz RCIMBQUGDJGGQG-SJLPKXTDSA-N 1 3 330.472 2.853 20 0 EFADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001246677739 1314669430 /nfs/dbraw/zinc/66/94/30/1314669430.db2.gz NCZSIBBZIBWBLS-MKXGPGLRSA-N 1 3 330.472 2.999 20 0 EFADHO O=C1C[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CN1c1ccc(F)cc1 ZINC001246717067 1314675973 /nfs/dbraw/zinc/67/59/73/1314675973.db2.gz USAIUKQTYCUBEC-LXLMPDEXSA-N 1 3 343.446 2.538 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725116 1314676486 /nfs/dbraw/zinc/67/64/86/1314676486.db2.gz XQNULKPJEYXCFH-HHXXYDBFSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725116 1314676490 /nfs/dbraw/zinc/67/64/90/1314676490.db2.gz XQNULKPJEYXCFH-HHXXYDBFSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725116 1314676495 /nfs/dbraw/zinc/67/64/95/1314676495.db2.gz XQNULKPJEYXCFH-HHXXYDBFSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759763 1314678176 /nfs/dbraw/zinc/67/81/76/1314678176.db2.gz ONXDALMUWWSAOQ-OWHRXQSPSA-N 1 3 345.462 2.863 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759763 1314678180 /nfs/dbraw/zinc/67/81/80/1314678180.db2.gz ONXDALMUWWSAOQ-OWHRXQSPSA-N 1 3 345.462 2.863 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CCN1 ZINC001246766224 1314679103 /nfs/dbraw/zinc/67/91/03/1314679103.db2.gz MEVQYADWYAEANN-CXUGJCBMSA-N 1 3 342.531 2.754 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@@H](N(C)Cc4ccccn4)[C@@H]3C2)CCN1 ZINC001246766224 1314679106 /nfs/dbraw/zinc/67/91/06/1314679106.db2.gz MEVQYADWYAEANN-CXUGJCBMSA-N 1 3 342.531 2.754 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CCN([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246772621 1314679313 /nfs/dbraw/zinc/67/93/13/1314679313.db2.gz BRAFWWMTDFAVTR-LLGFUMIMSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+]([C@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772621 1314679317 /nfs/dbraw/zinc/67/93/17/1314679317.db2.gz BRAFWWMTDFAVTR-LLGFUMIMSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772621 1314679320 /nfs/dbraw/zinc/67/93/20/1314679320.db2.gz BRAFWWMTDFAVTR-LLGFUMIMSA-N 1 3 341.499 2.773 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4C[C@@H](C)[NH2+][C@@H](C)C4)C3)CC2=O)cc1 ZINC001246775466 1314680083 /nfs/dbraw/zinc/68/00/83/1314680083.db2.gz GRYDHBIRDQXXLE-NZGUISNBSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H]4C[C@@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246775466 1314680087 /nfs/dbraw/zinc/68/00/87/1314680087.db2.gz GRYDHBIRDQXXLE-NZGUISNBSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4C[C@@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246775466 1314680090 /nfs/dbraw/zinc/68/00/90/1314680090.db2.gz GRYDHBIRDQXXLE-NZGUISNBSA-N 1 3 341.499 2.953 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246805502 1314685589 /nfs/dbraw/zinc/68/55/89/1314685589.db2.gz NTLGSOLCBDIFRN-QLVMHMETSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805502 1314685592 /nfs/dbraw/zinc/68/55/92/1314685592.db2.gz NTLGSOLCBDIFRN-QLVMHMETSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805502 1314685595 /nfs/dbraw/zinc/68/55/95/1314685595.db2.gz NTLGSOLCBDIFRN-QLVMHMETSA-N 1 3 339.483 2.527 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246823098 1314690000 /nfs/dbraw/zinc/69/00/00/1314690000.db2.gz MYUDOTLRQJOSRG-NXWXRZEISA-N 1 3 330.472 2.623 20 0 EFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246831223 1314691064 /nfs/dbraw/zinc/69/10/64/1314691064.db2.gz CABVTFRUHDDLOG-GUDVDZBRSA-N 1 3 331.479 2.863 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H](N3CCN[C@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246828984 1314691238 /nfs/dbraw/zinc/69/12/38/1314691238.db2.gz UOMJKXGDPGEDRB-FSSWDIPSSA-N 1 3 335.495 2.996 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001053087473 1314692184 /nfs/dbraw/zinc/69/21/84/1314692184.db2.gz LDGKSEQPTKPIHB-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001053087473 1314692188 /nfs/dbraw/zinc/69/21/88/1314692188.db2.gz LDGKSEQPTKPIHB-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO Clc1cccc([C@@H]2CSCCN2[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246834171 1314692343 /nfs/dbraw/zinc/69/23/43/1314692343.db2.gz FDQHGVRIMYWHRM-HOTGVXAUSA-N 1 3 337.920 2.524 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087789 1314694023 /nfs/dbraw/zinc/69/40/23/1314694023.db2.gz OAYPNBJKYVQLHM-HKUYNNGSSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087789 1314694027 /nfs/dbraw/zinc/69/40/27/1314694027.db2.gz OAYPNBJKYVQLHM-HKUYNNGSSA-N 1 3 335.536 2.972 20 0 EFADHO Brc1ccc2c(c1)C[C@H](N1C[C@@H]3CC[NH2+]C[C@H]3C1)CC2 ZINC001246843438 1314694971 /nfs/dbraw/zinc/69/49/71/1314694971.db2.gz GGHLKFGXPAMBIU-JLJPHGGASA-N 1 3 335.289 2.848 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@@H]3CC[NH2+][C@H](C)C3)C1)C2 ZINC001246870370 1314699114 /nfs/dbraw/zinc/69/91/14/1314699114.db2.gz ACQVYGJBHKKMIC-QTQZEZTPSA-N 1 3 342.483 2.722 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@@H]3CC[NH2+][C@@H](C)C3)C1)C2 ZINC001246870364 1314699573 /nfs/dbraw/zinc/69/95/73/1314699573.db2.gz ACQVYGJBHKKMIC-NWUWZPLHSA-N 1 3 342.483 2.722 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246889071 1314703588 /nfs/dbraw/zinc/70/35/88/1314703588.db2.gz CSOOQLSPHDOSRC-YESZJQIVSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCN[C@@H](CC)C1 ZINC001246889071 1314703590 /nfs/dbraw/zinc/70/35/90/1314703590.db2.gz CSOOQLSPHDOSRC-YESZJQIVSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCN[C@@H](CC)C1 ZINC001246889071 1314703593 /nfs/dbraw/zinc/70/35/93/1314703593.db2.gz CSOOQLSPHDOSRC-YESZJQIVSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246890243 1314704086 /nfs/dbraw/zinc/70/40/86/1314704086.db2.gz HVYGKTFHCNGLTP-KURKYZTESA-N 1 3 342.524 2.833 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246890242 1314704506 /nfs/dbraw/zinc/70/45/06/1314704506.db2.gz HVYGKTFHCNGLTP-KSZLIROESA-N 1 3 342.524 2.833 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915894 1314707302 /nfs/dbraw/zinc/70/73/02/1314707302.db2.gz QDRFLSUNUYYCPF-IEBWSBKVSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915894 1314707305 /nfs/dbraw/zinc/70/73/05/1314707305.db2.gz QDRFLSUNUYYCPF-IEBWSBKVSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H](N(Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915894 1314707309 /nfs/dbraw/zinc/70/73/09/1314707309.db2.gz QDRFLSUNUYYCPF-IEBWSBKVSA-N 1 3 330.472 2.972 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915279 1314707446 /nfs/dbraw/zinc/70/74/46/1314707446.db2.gz MBQFHXVGQDJBMB-HKUYNNGSSA-N 1 3 330.472 2.972 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915279 1314707449 /nfs/dbraw/zinc/70/74/49/1314707449.db2.gz MBQFHXVGQDJBMB-HKUYNNGSSA-N 1 3 330.472 2.972 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001053098968 1314713255 /nfs/dbraw/zinc/71/32/55/1314713255.db2.gz RLCPILIXAGLRSW-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001053098968 1314713259 /nfs/dbraw/zinc/71/32/59/1314713259.db2.gz RLCPILIXAGLRSW-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001053098966 1314713778 /nfs/dbraw/zinc/71/37/78/1314713778.db2.gz RLCPILIXAGLRSW-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001053098966 1314713782 /nfs/dbraw/zinc/71/37/82/1314713782.db2.gz RLCPILIXAGLRSW-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001214611187 1314715764 /nfs/dbraw/zinc/71/57/64/1314715764.db2.gz SITLVXOEKYBATD-BHIYHBOVSA-N 1 3 335.536 2.876 20 0 EFADHO COC(=O)c1ccc(CC2CC[NH+]([C@@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246996617 1314727605 /nfs/dbraw/zinc/72/76/05/1314727605.db2.gz HICPIWPCNDVJQE-HNAYVOBHSA-N 1 3 330.472 2.868 20 0 EFADHO COC(=O)c1ccc(CC2CCN([C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246996617 1314727610 /nfs/dbraw/zinc/72/76/10/1314727610.db2.gz HICPIWPCNDVJQE-HNAYVOBHSA-N 1 3 330.472 2.868 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](N2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247013241 1314730499 /nfs/dbraw/zinc/73/04/99/1314730499.db2.gz GISKDBFUHZKGBS-SLFFLAALSA-N 1 3 341.499 2.755 20 0 EFADHO Cc1ccc2c(c1)nc(-c1ccc3n1CCNC3)n2C1CC[NH2+]CC1 ZINC001247039231 1314733836 /nfs/dbraw/zinc/73/38/36/1314733836.db2.gz SMUVWVJLRWZPFT-UHFFFAOYSA-N 1 3 335.455 2.841 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001214847846 1314746793 /nfs/dbraw/zinc/74/67/93/1314746793.db2.gz VGXATHOYWSNOOO-YIEHMZNDSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214855304 1314748395 /nfs/dbraw/zinc/74/83/95/1314748395.db2.gz BQJIBKVCOQJDGG-LZQZEXGQSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001214902390 1314755381 /nfs/dbraw/zinc/75/53/81/1314755381.db2.gz MUVVPHHPHHUZRA-RLLQIKCJSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001214905128 1314756051 /nfs/dbraw/zinc/75/60/51/1314756051.db2.gz ZKXYKXUNLSRITH-ZACQAIPSSA-N 1 3 325.541 2.835 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001214998421 1314767491 /nfs/dbraw/zinc/76/74/91/1314767491.db2.gz WXOIELQOYLGUGI-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001214999816 1314767663 /nfs/dbraw/zinc/76/76/63/1314767663.db2.gz PBOLBQJKIRBOQE-JFIYKMOQSA-N 1 3 331.504 2.914 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248033 1314817583 /nfs/dbraw/zinc/81/75/83/1314817583.db2.gz LKJLMRLTZWZICC-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248033 1314817588 /nfs/dbraw/zinc/81/75/88/1314817588.db2.gz LKJLMRLTZWZICC-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248030 1314818330 /nfs/dbraw/zinc/81/83/30/1314818330.db2.gz LKJLMRLTZWZICC-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248030 1314818334 /nfs/dbraw/zinc/81/83/34/1314818334.db2.gz LKJLMRLTZWZICC-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1ccccc1F ZINC001215413746 1314831705 /nfs/dbraw/zinc/83/17/05/1314831705.db2.gz KYVBPKIOACZZRN-IIDMSEBBSA-N 1 3 347.478 2.665 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038278439 1314835308 /nfs/dbraw/zinc/83/53/08/1314835308.db2.gz XOPLQICDAZRAAA-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038278439 1314835310 /nfs/dbraw/zinc/83/53/10/1314835310.db2.gz XOPLQICDAZRAAA-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1)[NH+](CC)CC ZINC001215518474 1314844783 /nfs/dbraw/zinc/84/47/83/1314844783.db2.gz BVQQFFHGPPCHFA-ATZDWAIDSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001215536575 1314846367 /nfs/dbraw/zinc/84/63/67/1314846367.db2.gz SXKUDUPYOKWVGJ-SOLBZPMBSA-N 1 3 349.544 2.602 20 0 EFADHO c1ccc(Oc2cccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)c2)cc1 ZINC001247831345 1314849243 /nfs/dbraw/zinc/84/92/43/1314849243.db2.gz SIDQCTPIRUSJSY-KRWDZBQOSA-N 1 3 348.406 2.805 20 0 EFADHO CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551159 1314850941 /nfs/dbraw/zinc/85/09/41/1314850941.db2.gz LRCWTKMUDOYNQT-HNGSOEQISA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001215564034 1314852326 /nfs/dbraw/zinc/85/23/26/1314852326.db2.gz YRWJAKZGSUARRN-CRAIPNDOSA-N 1 3 349.494 2.740 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3C[C@]4(CO3)CCC[NH2+]C4)n2)cc1 ZINC001247922698 1314868466 /nfs/dbraw/zinc/86/84/66/1314868466.db2.gz UCVVIRBPUPHURZ-VQIMIIECSA-N 1 3 342.443 2.629 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001215972989 1314896433 /nfs/dbraw/zinc/89/64/33/1314896433.db2.gz JQFFWZYAGYJWLD-NKIGNDQYSA-N 1 3 329.916 2.688 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001215973058 1314896278 /nfs/dbraw/zinc/89/62/78/1314896278.db2.gz NWURSEVEERQZMA-IXDOHACOSA-N 1 3 329.504 2.683 20 0 EFADHO CCCC[C@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001248158189 1314897406 /nfs/dbraw/zinc/89/74/06/1314897406.db2.gz YXUJSBMKYMFDRN-KRWDZBQOSA-N 1 3 343.475 2.674 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001215994287 1314898496 /nfs/dbraw/zinc/89/84/96/1314898496.db2.gz ZAIPBZBBVIYPIT-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001216001794 1314899396 /nfs/dbraw/zinc/89/93/96/1314899396.db2.gz JVCGFFDZPFHVCK-JTDSTZFVSA-N 1 3 347.503 2.535 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001216002523 1314899523 /nfs/dbraw/zinc/89/95/23/1314899523.db2.gz TUPIYNKESYVNSY-OWCLPIDISA-N 1 3 345.478 2.590 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001216002587 1314899667 /nfs/dbraw/zinc/89/96/67/1314899667.db2.gz WEUCOWOUDNAFOD-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001038440243 1314932375 /nfs/dbraw/zinc/93/23/75/1314932375.db2.gz BOZNRHULPGLCHC-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001038440243 1314932380 /nfs/dbraw/zinc/93/23/80/1314932380.db2.gz BOZNRHULPGLCHC-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001038440241 1314933216 /nfs/dbraw/zinc/93/32/16/1314933216.db2.gz BOZNRHULPGLCHC-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001038440241 1314933219 /nfs/dbraw/zinc/93/32/19/1314933219.db2.gz BOZNRHULPGLCHC-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)c2ccn3cncc3c2)c1 ZINC001038461249 1314946182 /nfs/dbraw/zinc/94/61/82/1314946182.db2.gz DBNCUPTZDPEZAJ-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H]2CNC(=O)c2ccn3cncc3c2)c1 ZINC001038461249 1314946186 /nfs/dbraw/zinc/94/61/86/1314946186.db2.gz DBNCUPTZDPEZAJ-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001216498878 1314963019 /nfs/dbraw/zinc/96/30/19/1314963019.db2.gz AAZCFZIQKNTXIC-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001216515453 1314964510 /nfs/dbraw/zinc/96/45/10/1314964510.db2.gz QJRBBGCQGTVDLG-MDASCCDHSA-N 1 3 347.478 2.591 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001216514298 1314964739 /nfs/dbraw/zinc/96/47/39/1314964739.db2.gz DEYQLHFWJXYGEH-GPMSIDNRSA-N 1 3 347.503 2.535 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001216511394 1314964949 /nfs/dbraw/zinc/96/49/49/1314964949.db2.gz QPDCONMFNNPBES-NSISKUIASA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)[NH+]1CCC(CN(C)Cc2cnn3ccc(Cl)nc23)CC1 ZINC001248876038 1314989419 /nfs/dbraw/zinc/98/94/19/1314989419.db2.gz QTBFMEFPERGUHG-UHFFFAOYSA-N 1 3 335.883 2.935 20 0 EFADHO C[NH+]1CCC2(CCN(Cc3cnn4ccc(Cl)nc34)CC2)CC1 ZINC001248880382 1314990705 /nfs/dbraw/zinc/99/07/05/1314990705.db2.gz GPBKRJKVMLBLFA-UHFFFAOYSA-N 1 3 333.867 2.691 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828462 1315012409 /nfs/dbraw/zinc/01/24/09/1315012409.db2.gz HQFFVWIBQUXSJR-ZTFGCOKTSA-N 1 3 335.467 2.546 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829497 1315012998 /nfs/dbraw/zinc/01/29/98/1315012998.db2.gz YWGOSEHFGFLVGT-FRQCXROJSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCC2)C1 ZINC001216845126 1315014504 /nfs/dbraw/zinc/01/45/04/1315014504.db2.gz YDZIQGXQACJXRH-QRQLOZEOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001216851570 1315015744 /nfs/dbraw/zinc/01/57/44/1315015744.db2.gz AKXKNCCLJHUVMZ-OXQOHEQNSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216854441 1315015920 /nfs/dbraw/zinc/01/59/20/1315015920.db2.gz ZBJRYEXBMCRHID-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001216852437 1315015945 /nfs/dbraw/zinc/01/59/45/1315015945.db2.gz ZTZGFAFJIRZIPX-OWCLPIDISA-N 1 3 345.478 2.589 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001038631719 1315051084 /nfs/dbraw/zinc/05/10/84/1315051084.db2.gz BEAIQOLGEKMXQX-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001038631719 1315051087 /nfs/dbraw/zinc/05/10/87/1315051087.db2.gz BEAIQOLGEKMXQX-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO COc1ccc(Cn2cc(CN3CCC(C[NH+](C)C)CC3)cn2)cc1 ZINC001249339203 1315056457 /nfs/dbraw/zinc/05/64/57/1315056457.db2.gz FRZADNJLXISFNU-UHFFFAOYSA-N 1 3 342.487 2.714 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001276754891 1315065199 /nfs/dbraw/zinc/06/51/99/1315065199.db2.gz UZUKOLXGZCBCGB-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cncc(Cl)c1)CC2 ZINC001276754891 1315065203 /nfs/dbraw/zinc/06/52/03/1315065203.db2.gz UZUKOLXGZCBCGB-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO C[NH+](C)CC1CCN(Cc2cnc(NC(=O)OC(C)(C)C)[nH]2)CC1 ZINC001249423592 1315071236 /nfs/dbraw/zinc/07/12/36/1315071236.db2.gz FAJAISQKLAEJJX-UHFFFAOYSA-N 1 3 337.468 2.530 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038661540 1315071418 /nfs/dbraw/zinc/07/14/18/1315071418.db2.gz GREORKJPBMIPLO-FUHWJXTLSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038661544 1315071815 /nfs/dbraw/zinc/07/18/15/1315071815.db2.gz GREORKJPBMIPLO-SJLPKXTDSA-N 1 3 329.488 2.588 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3cc(F)cc4cc[nH]c43)CC2)CC1 ZINC001249524330 1315089274 /nfs/dbraw/zinc/08/92/74/1315089274.db2.gz TZBGGACNHGJTFO-UHFFFAOYSA-N 1 3 330.451 2.519 20 0 EFADHO C[NH+](C)CCOc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001249556357 1315096768 /nfs/dbraw/zinc/09/67/68/1315096768.db2.gz OYGSYJXVYBHBOG-LJQANCHMSA-N 1 3 345.487 2.808 20 0 EFADHO C[N@@H+]1CCc2ccc(NC3=CC[C@@H](N4CCOCC4)CC3)cc2C1 ZINC001249561157 1315098260 /nfs/dbraw/zinc/09/82/60/1315098260.db2.gz HMOJIILSKBZUJU-HXUWFJFHSA-N 1 3 327.472 2.855 20 0 EFADHO C[N@H+]1CCc2ccc(NC3=CC[C@@H](N4CCOCC4)CC3)cc2C1 ZINC001249561157 1315098264 /nfs/dbraw/zinc/09/82/64/1315098264.db2.gz HMOJIILSKBZUJU-HXUWFJFHSA-N 1 3 327.472 2.855 20 0 EFADHO c1ccc(Oc2cccc(-c3nnc(C45CNCC4C[NH2+]C5)o3)c2)cc1 ZINC001217706648 1315103587 /nfs/dbraw/zinc/10/35/87/1315103587.db2.gz MQSIBQMNBZBBOI-UHFFFAOYSA-N 1 3 348.406 2.589 20 0 EFADHO CC1CC(CN2CC[C@H]2CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001038702616 1315108851 /nfs/dbraw/zinc/10/88/51/1315108851.db2.gz FOFOSJGPICMURF-NLPFYKDJSA-N 1 3 343.515 2.641 20 0 EFADHO c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCSCC2)cn1 ZINC001276766141 1315130224 /nfs/dbraw/zinc/13/02/24/1315130224.db2.gz AWBNWNBRVLAUPT-AYHJJNSGSA-N 1 3 334.533 2.611 20 0 EFADHO c1cn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCSCC2)cn1 ZINC001276766141 1315130226 /nfs/dbraw/zinc/13/02/26/1315130226.db2.gz AWBNWNBRVLAUPT-AYHJJNSGSA-N 1 3 334.533 2.611 20 0 EFADHO Cc1csc(CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1Cl ZINC001276788804 1315209327 /nfs/dbraw/zinc/20/93/27/1315209327.db2.gz HRJQLFAFZHENFL-UONOGXRCSA-N 1 3 327.925 2.778 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001218529962 1315211106 /nfs/dbraw/zinc/21/11/06/1315211106.db2.gz NOGIWODWEZTOMG-KRWDZBQOSA-N 1 3 344.434 2.885 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccnc(Cl)c1Cl ZINC001218558810 1315214506 /nfs/dbraw/zinc/21/45/06/1315214506.db2.gz KBVHOSNLUHMTHP-JTQLQIEISA-N 1 3 333.263 2.823 20 0 EFADHO Cc1cc(N2CCOCC2)cc2[nH]c(CC3CC[NH+](C)CC3)nc21 ZINC001250552730 1315223960 /nfs/dbraw/zinc/22/39/60/1315223960.db2.gz LFAUAUHAOMOFQS-UHFFFAOYSA-N 1 3 328.460 2.592 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001218712276 1315233892 /nfs/dbraw/zinc/23/38/92/1315233892.db2.gz GPWAOAUSRUJXHE-CABCVRRESA-N 1 3 326.400 2.776 20 0 EFADHO O[C@H](C[NH2+]CCCN1CCCCC1)COc1ccc(Cl)cc1 ZINC001250685405 1315242751 /nfs/dbraw/zinc/24/27/51/1315242751.db2.gz FHPYKUUKMLDCAR-MRXNPFEDSA-N 1 3 326.868 2.545 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC001250686605 1315243283 /nfs/dbraw/zinc/24/32/83/1315243283.db2.gz WCPKQBXOMFMZIT-YYIAUSFCSA-N 1 3 338.879 2.685 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC001250686605 1315243286 /nfs/dbraw/zinc/24/32/86/1315243286.db2.gz WCPKQBXOMFMZIT-YYIAUSFCSA-N 1 3 338.879 2.685 20 0 EFADHO CC(C)N1CC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)[C@H](C)C1 ZINC001250690490 1315243869 /nfs/dbraw/zinc/24/38/69/1315243869.db2.gz GVCBCGOFSDLAIT-HFTRVMKXSA-N 1 3 340.895 2.788 20 0 EFADHO CCCCCCOc1ccc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218852396 1315250789 /nfs/dbraw/zinc/25/07/89/1315250789.db2.gz BHFNFLRQJVEIJK-GOSISDBHSA-N 1 3 333.476 2.911 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC001218857165 1315251182 /nfs/dbraw/zinc/25/11/82/1315251182.db2.gz JKDAJQKXUFFQDY-LBPRGKRZSA-N 1 3 349.809 2.939 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)CC1 ZINC001038872087 1315252163 /nfs/dbraw/zinc/25/21/63/1315252163.db2.gz LFXXGDJGWWTLAW-IBGZPJMESA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1c(Cl)ccc2ncccc21 ZINC001218904253 1315257643 /nfs/dbraw/zinc/25/76/43/1315257643.db2.gz DCRVTPCFZCFFEX-AWEZNQCLSA-N 1 3 334.851 2.886 20 0 EFADHO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@@H](N)CCC[NH3+])cc1 ZINC001218908356 1315258553 /nfs/dbraw/zinc/25/85/53/1315258553.db2.gz HBFSKBNIZDRYJE-SFHVURJKSA-N 1 3 340.471 2.599 20 0 EFADHO COc1cc(C(F)(F)F)ccc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218936222 1315261637 /nfs/dbraw/zinc/26/16/37/1315261637.db2.gz RCWSFASDRXORAI-LBPRGKRZSA-N 1 3 347.381 2.712 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)c(C)c1 ZINC001218937092 1315262012 /nfs/dbraw/zinc/26/20/12/1315262012.db2.gz JYSXOQAUUNTCRV-FQEVSTJZSA-N 1 3 337.467 2.500 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937383 1315262068 /nfs/dbraw/zinc/26/20/68/1315262068.db2.gz UUNSJHBZCFAIHD-FQEVSTJZSA-N 1 3 337.467 2.664 20 0 EFADHO [NH3+]C1(c2ccc(NC(=O)c3cc4c(s3)CNCC4)cc2)CCC1 ZINC001218973418 1315266581 /nfs/dbraw/zinc/26/65/81/1315266581.db2.gz JEDGKJYTMRCEHZ-UHFFFAOYSA-N 1 3 327.453 2.984 20 0 EFADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1csc([C@@H]2CCCN2)n1 ZINC001218998239 1315271019 /nfs/dbraw/zinc/27/10/19/1315271019.db2.gz MXOHQNFJLCYDHZ-HIFRSBDPSA-N 1 3 342.468 2.897 20 0 EFADHO CN1Cc2c(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cccc2[C@H](c2ccccc2)C1 ZINC001219046576 1315276985 /nfs/dbraw/zinc/27/69/85/1315276985.db2.gz DUZABBWSXNENJC-TWFHAPMSSA-N 1 3 347.462 2.668 20 0 EFADHO CC(C)(C)c1ccc(Br)c(NC(=O)[C@H](N)CCC[NH3+])c1 ZINC001219081315 1315279980 /nfs/dbraw/zinc/27/99/80/1315279980.db2.gz ROZGAFSDIJVDAB-GFCCVEGCSA-N 1 3 342.281 2.751 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001219124287 1315283797 /nfs/dbraw/zinc/28/37/97/1315283797.db2.gz KESLPVPOPVKVEZ-HNNXBMFYSA-N 1 3 329.448 2.511 20 0 EFADHO CC(C)Oc1cc(NC(=O)[C@@H](N)CCCC[NH3+])cc(C(F)(F)F)c1 ZINC001219172231 1315287393 /nfs/dbraw/zinc/28/73/93/1315287393.db2.gz IEYHIEBTSMXVAZ-AWEZNQCLSA-N 1 3 347.381 2.887 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2cncc(F)c21 ZINC001219202155 1315290721 /nfs/dbraw/zinc/29/07/21/1315290721.db2.gz SXYUPDYMADINRJ-HNNXBMFYSA-N 1 3 332.423 2.808 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC001219308852 1315299067 /nfs/dbraw/zinc/29/90/67/1315299067.db2.gz MXXBABQSEOMGPZ-HNNXBMFYSA-N 1 3 349.475 2.640 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccccc2F)CC1)C(F)(F)F ZINC001250993327 1315307858 /nfs/dbraw/zinc/30/78/58/1315307858.db2.gz SDOXUYYSJFEXLN-OAHLLOKOSA-N 1 3 334.357 2.551 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(-c2cccs2)ccc1N ZINC001219432107 1315313558 /nfs/dbraw/zinc/31/35/58/1315313558.db2.gz PMGWQFFOPAGPLV-HNNXBMFYSA-N 1 3 346.500 2.995 20 0 EFADHO CC[NH+](CC)CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001219555737 1315322072 /nfs/dbraw/zinc/32/20/72/1315322072.db2.gz PUBFYDGYGBTICF-CQSZACIVSA-N 1 3 332.275 2.841 20 0 EFADHO CC[NH+](CC)CCNC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001219553877 1315322620 /nfs/dbraw/zinc/32/26/20/1315322620.db2.gz PJNVYBGRZBEVGP-FQEVSTJZSA-N 1 3 339.483 2.681 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054128931 1315336709 /nfs/dbraw/zinc/33/67/09/1315336709.db2.gz GTOPZBFBJFHDSR-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054128931 1315336714 /nfs/dbraw/zinc/33/67/14/1315336714.db2.gz GTOPZBFBJFHDSR-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054128868 1315337104 /nfs/dbraw/zinc/33/71/04/1315337104.db2.gz GAFCFDRHLJRYHK-HKUYNNGSSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054128868 1315337107 /nfs/dbraw/zinc/33/71/07/1315337107.db2.gz GAFCFDRHLJRYHK-HKUYNNGSSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128962 1315337628 /nfs/dbraw/zinc/33/76/28/1315337628.db2.gz HLAJPDQWNIUIAE-AZUAARDMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001054128962 1315337631 /nfs/dbraw/zinc/33/76/31/1315337631.db2.gz HLAJPDQWNIUIAE-AZUAARDMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054128933 1315337855 /nfs/dbraw/zinc/33/78/55/1315337855.db2.gz GTOPZBFBJFHDSR-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054128933 1315337858 /nfs/dbraw/zinc/33/78/58/1315337858.db2.gz GTOPZBFBJFHDSR-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219705039 1315340268 /nfs/dbraw/zinc/34/02/68/1315340268.db2.gz CBQHPYJJQYHUST-RTWAWAEBSA-N 1 3 349.478 2.832 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132301 1315341002 /nfs/dbraw/zinc/34/10/02/1315341002.db2.gz FHDWWHXGUQKUKS-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132301 1315341005 /nfs/dbraw/zinc/34/10/05/1315341005.db2.gz FHDWWHXGUQKUKS-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001054132340 1315341970 /nfs/dbraw/zinc/34/19/70/1315341970.db2.gz FYJXXYVODIYZPD-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCCC1 ZINC001054132340 1315341976 /nfs/dbraw/zinc/34/19/76/1315341976.db2.gz FYJXXYVODIYZPD-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cccc(C(F)F)c1 ZINC001219741450 1315343436 /nfs/dbraw/zinc/34/34/36/1315343436.db2.gz LGDDTEDFPKFAAK-HNNXBMFYSA-N 1 3 327.419 2.736 20 0 EFADHO N[C@H](CC(=O)NC[C@]1(F)CCC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC001219767739 1315344191 /nfs/dbraw/zinc/34/41/91/1315344191.db2.gz DFYWPILNISJLNJ-HIFRSBDPSA-N 1 3 348.249 2.591 20 0 EFADHO N[C@H](CC(=O)NC[C@@]1(F)CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001219769266 1315344315 /nfs/dbraw/zinc/34/43/15/1315344315.db2.gz VKCNHRAOUHDPCU-IUODEOHRSA-N 1 3 348.249 2.591 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219817366 1315348842 /nfs/dbraw/zinc/34/88/42/1315348842.db2.gz ZMNLTZGDZVGXJX-ZCNNSNEGSA-N 1 3 337.467 2.556 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054140129 1315353971 /nfs/dbraw/zinc/35/39/71/1315353971.db2.gz ACIXEWXBNFKILX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054140129 1315353973 /nfs/dbraw/zinc/35/39/73/1315353973.db2.gz ACIXEWXBNFKILX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)NCCc1cccc(Oc2ccccc2)c1 ZINC001219905965 1315354371 /nfs/dbraw/zinc/35/43/71/1315354371.db2.gz GYZQGWYVZWCGHR-IBGZPJMESA-N 1 3 341.455 2.594 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054140127 1315354575 /nfs/dbraw/zinc/35/45/75/1315354575.db2.gz ACIXEWXBNFKILX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054140127 1315354578 /nfs/dbraw/zinc/35/45/78/1315354578.db2.gz ACIXEWXBNFKILX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)C2(N(C)C)CCC2)C3)C1 ZINC001054142680 1315358629 /nfs/dbraw/zinc/35/86/29/1315358629.db2.gz GRQSISJFCNJIIQ-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C2(N(C)C)CCC2)C3)C1 ZINC001054142680 1315358633 /nfs/dbraw/zinc/35/86/33/1315358633.db2.gz GRQSISJFCNJIIQ-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142714 1315358790 /nfs/dbraw/zinc/35/87/90/1315358790.db2.gz HHXLMFUGHUSFAZ-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142714 1315358795 /nfs/dbraw/zinc/35/87/95/1315358795.db2.gz HHXLMFUGHUSFAZ-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO N[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC001219954906 1315360638 /nfs/dbraw/zinc/36/06/38/1315360638.db2.gz XTWUNVQIWFBVJY-ILCGBQQYSA-N 1 3 347.547 2.959 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001054144659 1315362331 /nfs/dbraw/zinc/36/23/31/1315362331.db2.gz YAOFKORTGBNZQQ-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001054144659 1315362335 /nfs/dbraw/zinc/36/23/35/1315362335.db2.gz YAOFKORTGBNZQQ-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145345 1315363711 /nfs/dbraw/zinc/36/37/11/1315363711.db2.gz NSNSHUAEGWUEIG-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145345 1315363714 /nfs/dbraw/zinc/36/37/14/1315363714.db2.gz NSNSHUAEGWUEIG-YLJYHZDGSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@]12CC3CC(NC(=O)[C@@H]4CCC5(CC[NH2+]CC5)N4)(C1)C[C@@](C)(C3)C2 ZINC001219994200 1315364344 /nfs/dbraw/zinc/36/43/44/1315364344.db2.gz GOFLWGXZAAIZEM-BNYWTHRASA-N 1 3 345.531 2.726 20 0 EFADHO C[C@]12CC3CC(NC(=O)[C@@H]4CCC5(CCNCC5)[NH2+]4)(C1)C[C@@](C)(C3)C2 ZINC001219994200 1315364350 /nfs/dbraw/zinc/36/43/50/1315364350.db2.gz GOFLWGXZAAIZEM-BNYWTHRASA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145122 1315364683 /nfs/dbraw/zinc/36/46/83/1315364683.db2.gz KZIXUQXNAIELLE-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145122 1315364686 /nfs/dbraw/zinc/36/46/86/1315364686.db2.gz KZIXUQXNAIELLE-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO [NH3+][C@@H](CC1CCCC1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001219999315 1315365441 /nfs/dbraw/zinc/36/54/41/1315365441.db2.gz PREKBQAHLJICHW-RBUKOAKNSA-N 1 3 329.488 2.847 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999315 1315365445 /nfs/dbraw/zinc/36/54/45/1315365445.db2.gz PREKBQAHLJICHW-RBUKOAKNSA-N 1 3 329.488 2.847 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145824 1315366298 /nfs/dbraw/zinc/36/62/98/1315366298.db2.gz YFRSFBCFNYZZAF-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145824 1315366302 /nfs/dbraw/zinc/36/63/02/1315366302.db2.gz YFRSFBCFNYZZAF-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220064250 1315369804 /nfs/dbraw/zinc/36/98/04/1315369804.db2.gz XMDJVRUFJWNVKY-CYSNLQCGSA-N 1 3 347.547 2.911 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220064250 1315369808 /nfs/dbraw/zinc/36/98/08/1315369808.db2.gz XMDJVRUFJWNVKY-CYSNLQCGSA-N 1 3 347.547 2.911 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148620 1315370011 /nfs/dbraw/zinc/37/00/11/1315370011.db2.gz RGWOYGKADDZZKZ-AZUAARDMSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148620 1315370015 /nfs/dbraw/zinc/37/00/15/1315370015.db2.gz RGWOYGKADDZZKZ-AZUAARDMSA-N 1 3 335.536 2.853 20 0 EFADHO NC(=[NH2+])N(C(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2)c1ccccc1F ZINC001220106394 1315372787 /nfs/dbraw/zinc/37/27/87/1315372787.db2.gz LVSCDWQUSVDSIF-RTLPCREESA-N 1 3 344.434 2.596 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054152138 1315376149 /nfs/dbraw/zinc/37/61/49/1315376149.db2.gz AMILBJXNCIOQAO-TZIWHRDSSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054152138 1315376153 /nfs/dbraw/zinc/37/61/53/1315376153.db2.gz AMILBJXNCIOQAO-TZIWHRDSSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220162867 1315377364 /nfs/dbraw/zinc/37/73/64/1315377364.db2.gz MOGGBEDOVVMOEM-XCJLJZCSSA-N 1 3 341.499 2.908 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220221052 1315386193 /nfs/dbraw/zinc/38/61/93/1315386193.db2.gz OYFVOSOLQNCFTO-QYZOEREBSA-N 1 3 345.531 2.843 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@H](c2ccccc2)CCN1 ZINC001220335098 1315401141 /nfs/dbraw/zinc/40/11/41/1315401141.db2.gz ICBXBXFSUIJFSF-SXLOBPIMSA-N 1 3 343.515 2.759 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054173649 1315409085 /nfs/dbraw/zinc/40/90/85/1315409085.db2.gz FCPUVANGLGVGBS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054173649 1315409089 /nfs/dbraw/zinc/40/90/89/1315409089.db2.gz FCPUVANGLGVGBS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N1CCCC1 ZINC001054174276 1315410286 /nfs/dbraw/zinc/41/02/86/1315410286.db2.gz LPHUMTTVYBRROA-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N1CCCC1 ZINC001054174276 1315410287 /nfs/dbraw/zinc/41/02/87/1315410287.db2.gz LPHUMTTVYBRROA-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174532 1315411159 /nfs/dbraw/zinc/41/11/59/1315411159.db2.gz SUHNDZNHOOEHDN-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174532 1315411161 /nfs/dbraw/zinc/41/11/61/1315411161.db2.gz SUHNDZNHOOEHDN-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cc1 ZINC001220437838 1315412679 /nfs/dbraw/zinc/41/26/79/1315412679.db2.gz INILPEIIIHEAPD-IAGOWNOFSA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cc1 ZINC001220437838 1315412682 /nfs/dbraw/zinc/41/26/82/1315412682.db2.gz INILPEIIIHEAPD-IAGOWNOFSA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1)N1CCCC1 ZINC001054176421 1315413252 /nfs/dbraw/zinc/41/32/52/1315413252.db2.gz GLSXYFZPWBDANP-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1)N1CCCC1 ZINC001054176421 1315413254 /nfs/dbraw/zinc/41/32/54/1315413254.db2.gz GLSXYFZPWBDANP-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC001220501045 1315421451 /nfs/dbraw/zinc/42/14/51/1315421451.db2.gz MXHAFMUDUWHAEL-RTBURBONSA-N 1 3 339.483 2.670 20 0 EFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220500303 1315421593 /nfs/dbraw/zinc/42/15/93/1315421593.db2.gz ICRHOPBOJHPWJT-VQTJNVASSA-N 1 3 333.435 2.526 20 0 EFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220500302 1315421878 /nfs/dbraw/zinc/42/18/78/1315421878.db2.gz ICRHOPBOJHPWJT-PMACEKPBSA-N 1 3 333.435 2.526 20 0 EFADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220680524 1315439621 /nfs/dbraw/zinc/43/96/21/1315439621.db2.gz GXCQAOBTYNKYJI-JKEDJMADSA-N 1 3 327.472 2.659 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001220680750 1315440222 /nfs/dbraw/zinc/44/02/22/1315440222.db2.gz PNKFWWLPHBHTSV-YDZRNGNQSA-N 1 3 343.515 2.643 20 0 EFADHO O[C@@H](C[NH2+]CCCN1CCCC1)COc1cccc2ccccc21 ZINC001252373392 1315440890 /nfs/dbraw/zinc/44/08/90/1315440890.db2.gz VCHOPDUGXGQPTK-SFHVURJKSA-N 1 3 328.456 2.655 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197617 1315442246 /nfs/dbraw/zinc/44/22/46/1315442246.db2.gz FVVFXDAGGAXULX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054197617 1315442250 /nfs/dbraw/zinc/44/22/50/1315442250.db2.gz FVVFXDAGGAXULX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197616 1315442761 /nfs/dbraw/zinc/44/27/61/1315442761.db2.gz FVVFXDAGGAXULX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054197616 1315442765 /nfs/dbraw/zinc/44/27/65/1315442765.db2.gz FVVFXDAGGAXULX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001054197725 1315442939 /nfs/dbraw/zinc/44/29/39/1315442939.db2.gz HHGCAQVASFLNJB-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001054197725 1315442944 /nfs/dbraw/zinc/44/29/44/1315442944.db2.gz HHGCAQVASFLNJB-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054198213 1315443571 /nfs/dbraw/zinc/44/35/71/1315443571.db2.gz SHPVDFMLDZRAFL-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054198213 1315443575 /nfs/dbraw/zinc/44/35/75/1315443575.db2.gz SHPVDFMLDZRAFL-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198332 1315443765 /nfs/dbraw/zinc/44/37/65/1315443765.db2.gz VYWVVOMKUURTEG-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001054198332 1315443770 /nfs/dbraw/zinc/44/37/70/1315443770.db2.gz VYWVVOMKUURTEG-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CCCC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220769202 1315448794 /nfs/dbraw/zinc/44/87/94/1315448794.db2.gz KTCFKLDFKPCZKJ-WMZOPIPTSA-N 1 3 344.503 2.842 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220859905 1315457908 /nfs/dbraw/zinc/45/79/08/1315457908.db2.gz RYMHZWSJBNWSRM-OLZOCXBDSA-N 1 3 331.382 2.585 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209159 1315458845 /nfs/dbraw/zinc/45/88/45/1315458845.db2.gz KKZTWUASNIZFSM-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209159 1315458847 /nfs/dbraw/zinc/45/88/47/1315458847.db2.gz KKZTWUASNIZFSM-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054209564 1315460222 /nfs/dbraw/zinc/46/02/22/1315460222.db2.gz SMCAQBYTRRLDNW-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054209564 1315460225 /nfs/dbraw/zinc/46/02/25/1315460225.db2.gz SMCAQBYTRRLDNW-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252531548 1315463839 /nfs/dbraw/zinc/46/38/39/1315463839.db2.gz GWYACMJJEOAJFR-BURNTYAHSA-N 1 3 346.515 2.949 20 0 EFADHO CCCCOC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252531548 1315463844 /nfs/dbraw/zinc/46/38/44/1315463844.db2.gz GWYACMJJEOAJFR-BURNTYAHSA-N 1 3 346.515 2.949 20 0 EFADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001220964567 1315468332 /nfs/dbraw/zinc/46/83/32/1315468332.db2.gz HFLHPQGOTAMRKQ-CRAIPNDOSA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001220964567 1315468334 /nfs/dbraw/zinc/46/83/34/1315468334.db2.gz HFLHPQGOTAMRKQ-CRAIPNDOSA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001221063010 1315478923 /nfs/dbraw/zinc/47/89/23/1315478923.db2.gz IDIKMNBZKOOFLF-PZJWPPBQSA-N 1 3 343.515 2.793 20 0 EFADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1cc2c(s1)CNCC2 ZINC001221134111 1315485809 /nfs/dbraw/zinc/48/58/09/1315485809.db2.gz LDGTVYBTVIUYAX-UHFFFAOYSA-N 1 3 347.528 2.684 20 0 EFADHO CC(C)OC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252692684 1315488067 /nfs/dbraw/zinc/48/80/67/1315488067.db2.gz CXHGCDOYSDILPZ-YRPNKDGESA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)OC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252692684 1315488069 /nfs/dbraw/zinc/48/80/69/1315488069.db2.gz CXHGCDOYSDILPZ-YRPNKDGESA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)P(CCNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C(C)C ZINC001221254901 1315498671 /nfs/dbraw/zinc/49/86/71/1315498671.db2.gz ZHZCRLWCGKQAQV-WMZOPIPTSA-N 1 3 342.464 2.950 20 0 EFADHO CC[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001221269638 1315501047 /nfs/dbraw/zinc/50/10/47/1315501047.db2.gz SJWVSNHBQIFXPJ-JKSUJKDBSA-N 1 3 327.419 2.591 20 0 EFADHO C[NH+]1CCC2(CN(C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC001252757061 1315502005 /nfs/dbraw/zinc/50/20/05/1315502005.db2.gz QFLXDFCTDRFDTB-SFHVURJKSA-N 1 3 346.515 2.751 20 0 EFADHO C[N@@H+]1CCC[C@@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762459 1315502242 /nfs/dbraw/zinc/50/22/42/1315502242.db2.gz HRNOUUPGMFWVKQ-MSOLQXFVSA-N 1 3 334.504 2.798 20 0 EFADHO C[N@H+]1CCC[C@@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762459 1315502245 /nfs/dbraw/zinc/50/22/45/1315502245.db2.gz HRNOUUPGMFWVKQ-MSOLQXFVSA-N 1 3 334.504 2.798 20 0 EFADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001221331851 1315512492 /nfs/dbraw/zinc/51/24/92/1315512492.db2.gz GDMLPGBPGMXJQF-HBMCJLEFSA-N 1 3 349.478 2.782 20 0 EFADHO [NH3+]CCCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001221344629 1315513177 /nfs/dbraw/zinc/51/31/77/1315513177.db2.gz BFMHDIAYFWJRDF-UHFFFAOYSA-N 1 3 337.467 2.563 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054244426 1315515128 /nfs/dbraw/zinc/51/51/28/1315515128.db2.gz FLRSNQKNNPCUDW-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054244426 1315515130 /nfs/dbraw/zinc/51/51/30/1315515130.db2.gz FLRSNQKNNPCUDW-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCc2c1c(F)ccc2F ZINC001221363038 1315515263 /nfs/dbraw/zinc/51/52/63/1315515263.db2.gz IHYCDTMCPBJGDD-JKSUJKDBSA-N 1 3 339.430 2.564 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001039133963 1315518743 /nfs/dbraw/zinc/51/87/43/1315518743.db2.gz MWRMTGCJNKXLPB-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CCC1 ZINC001039133963 1315518748 /nfs/dbraw/zinc/51/87/48/1315518748.db2.gz MWRMTGCJNKXLPB-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001221399385 1315520742 /nfs/dbraw/zinc/52/07/42/1315520742.db2.gz BLZQBYWEVWPZGC-PMACEKPBSA-N 1 3 335.451 2.555 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001221398889 1315520903 /nfs/dbraw/zinc/52/09/03/1315520903.db2.gz JERQYJHUFZJREO-HKBOAZHASA-N 1 3 349.478 2.558 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001221399130 1315520932 /nfs/dbraw/zinc/52/09/32/1315520932.db2.gz LXEHYJYPBGKSAT-HBMCJLEFSA-N 1 3 349.478 2.701 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136467 1315522008 /nfs/dbraw/zinc/52/20/08/1315522008.db2.gz JRWYEIYVSWRVRM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136467 1315522005 /nfs/dbraw/zinc/52/20/05/1315522005.db2.gz JRWYEIYVSWRVRM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001221407290 1315522104 /nfs/dbraw/zinc/52/21/04/1315522104.db2.gz BDBWKDIHQYPURI-FLLBMPTCSA-N 1 3 347.547 2.765 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001221407290 1315522108 /nfs/dbraw/zinc/52/21/08/1315522108.db2.gz BDBWKDIHQYPURI-FLLBMPTCSA-N 1 3 347.547 2.765 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039138012 1315525079 /nfs/dbraw/zinc/52/50/79/1315525079.db2.gz UWCIOCLPCSHZER-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039138012 1315525084 /nfs/dbraw/zinc/52/50/84/1315525084.db2.gz UWCIOCLPCSHZER-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CC[N@H+](CCC4CC4)C3)CC2)CCC1 ZINC001039138936 1315525911 /nfs/dbraw/zinc/52/59/11/1315525911.db2.gz YTSLGWLECCLNCU-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CC[N@@H+](CCC4CC4)C3)CC2)CCC1 ZINC001039138936 1315525916 /nfs/dbraw/zinc/52/59/16/1315525916.db2.gz YTSLGWLECCLNCU-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO O[C@]1(CN[C@H]2C[C@@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948013 1315540325 /nfs/dbraw/zinc/54/03/25/1315540325.db2.gz HWZFNUXINVKLOL-HKBOAZHASA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@H]2C[C@@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948013 1315540329 /nfs/dbraw/zinc/54/03/29/1315540329.db2.gz HWZFNUXINVKLOL-HKBOAZHASA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC001252948014 1315540783 /nfs/dbraw/zinc/54/07/83/1315540783.db2.gz HWZFNUXINVKLOL-NJYVYQBISA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948014 1315540787 /nfs/dbraw/zinc/54/07/87/1315540787.db2.gz HWZFNUXINVKLOL-NJYVYQBISA-N 1 3 340.442 2.908 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537529 1315549010 /nfs/dbraw/zinc/54/90/10/1315549010.db2.gz FTKKRSKKOILDIV-BQWVTDQKSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537529 1315549013 /nfs/dbraw/zinc/54/90/13/1315549013.db2.gz FTKKRSKKOILDIV-BQWVTDQKSA-N 1 3 333.520 2.748 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN1CC2(C1)CC[NH+](C)CC2 ZINC001253010407 1315553091 /nfs/dbraw/zinc/55/30/91/1315553091.db2.gz SHJUFGHGMALMAG-ROUUACIJSA-N 1 3 326.525 2.608 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253020712 1315555152 /nfs/dbraw/zinc/55/51/52/1315555152.db2.gz VAOVPZSAAVGMOF-QXCZDIPSSA-N 1 3 326.525 2.795 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253020712 1315555156 /nfs/dbraw/zinc/55/51/56/1315555156.db2.gz VAOVPZSAAVGMOF-QXCZDIPSSA-N 1 3 326.525 2.795 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039159759 1315556258 /nfs/dbraw/zinc/55/62/58/1315556258.db2.gz XTUQNSDURRTLLH-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039159759 1315556260 /nfs/dbraw/zinc/55/62/60/1315556260.db2.gz XTUQNSDURRTLLH-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221595064 1315558189 /nfs/dbraw/zinc/55/81/89/1315558189.db2.gz QNRAUTMLLPDKHN-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221595064 1315558191 /nfs/dbraw/zinc/55/81/91/1315558191.db2.gz QNRAUTMLLPDKHN-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221595064 1315558194 /nfs/dbraw/zinc/55/81/94/1315558194.db2.gz QNRAUTMLLPDKHN-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221595064 1315558197 /nfs/dbraw/zinc/55/81/97/1315558197.db2.gz QNRAUTMLLPDKHN-FGTMMUONSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221595260 1315558269 /nfs/dbraw/zinc/55/82/69/1315558269.db2.gz ZULPBJYGRCPIQI-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)C)C[C@H]21 ZINC001221595260 1315558270 /nfs/dbraw/zinc/55/82/70/1315558270.db2.gz ZULPBJYGRCPIQI-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CCC4CC4)C3)CC2)C1 ZINC001039163360 1315561513 /nfs/dbraw/zinc/56/15/13/1315561513.db2.gz BBDWHXTUXYSZHD-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CCC4CC4)C3)CC2)C1 ZINC001039163360 1315561517 /nfs/dbraw/zinc/56/15/17/1315561517.db2.gz BBDWHXTUXYSZHD-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CCC4CC4)C3)CC2)C1 ZINC001039163361 1315562192 /nfs/dbraw/zinc/56/21/92/1315562192.db2.gz BBDWHXTUXYSZHD-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CCC4CC4)C3)CC2)C1 ZINC001039163361 1315562194 /nfs/dbraw/zinc/56/21/94/1315562194.db2.gz BBDWHXTUXYSZHD-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039166277 1315566832 /nfs/dbraw/zinc/56/68/32/1315566832.db2.gz UTUAPKOYFQIPAL-HXUWFJFHSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039166277 1315566836 /nfs/dbraw/zinc/56/68/36/1315566836.db2.gz UTUAPKOYFQIPAL-HXUWFJFHSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221657110 1315571988 /nfs/dbraw/zinc/57/19/88/1315571988.db2.gz KAECPNMVSFNYQF-RTBURBONSA-N 1 3 343.515 2.758 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC001221657110 1315571990 /nfs/dbraw/zinc/57/19/90/1315571990.db2.gz KAECPNMVSFNYQF-RTBURBONSA-N 1 3 343.515 2.758 20 0 EFADHO C[C@](O)(C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC001253122293 1315572451 /nfs/dbraw/zinc/57/24/51/1315572451.db2.gz LJCDKSIVRFXWEG-NRFANRHFSA-N 1 3 339.483 2.791 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054736520 1315572626 /nfs/dbraw/zinc/57/26/26/1315572626.db2.gz KFZYHAKDCIYCFS-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001054736184 1315572712 /nfs/dbraw/zinc/57/27/12/1315572712.db2.gz JJDHWUCARGKJIE-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001054735736 1315572904 /nfs/dbraw/zinc/57/29/04/1315572904.db2.gz HLDNALQAXSOVQM-KDOFPFPSSA-N 1 3 349.906 2.761 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H](c3ccccc3)CO2)CC1 ZINC001253184690 1315577548 /nfs/dbraw/zinc/57/75/48/1315577548.db2.gz IWKOKLYOYYHCHM-WOJBJXKFSA-N 1 3 346.515 2.728 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(COc2ccc(F)cc2)CC1 ZINC001253194182 1315578542 /nfs/dbraw/zinc/57/85/42/1315578542.db2.gz KGSRBZATZQBWQL-GOSISDBHSA-N 1 3 338.467 2.619 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001253193011 1315578589 /nfs/dbraw/zinc/57/85/89/1315578589.db2.gz DDHUCIGFMBVYNV-IBGZPJMESA-N 1 3 329.488 2.981 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH2+]CCSCc1ccccc1Cl ZINC001253205992 1315580872 /nfs/dbraw/zinc/58/08/72/1315580872.db2.gz IDCYLSSZCMCRLZ-HNNXBMFYSA-N 1 3 330.925 2.866 20 0 EFADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC[C@H](OCc2ccccc2)CC1 ZINC001253384408 1315599297 /nfs/dbraw/zinc/59/92/97/1315599297.db2.gz RTPZVBQLNOJPHQ-FHWLQOOXSA-N 1 3 334.504 2.853 20 0 EFADHO CC(C)(C)OC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001253479334 1315608427 /nfs/dbraw/zinc/60/84/27/1315608427.db2.gz NERJUPMQLLLBSF-HAGHYFMRSA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)(C)OC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253479334 1315608430 /nfs/dbraw/zinc/60/84/30/1315608430.db2.gz NERJUPMQLLLBSF-HAGHYFMRSA-N 1 3 346.515 2.948 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001039213537 1315629712 /nfs/dbraw/zinc/62/97/12/1315629712.db2.gz LGXLHKOFGKUTMO-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001039213537 1315629716 /nfs/dbraw/zinc/62/97/16/1315629716.db2.gz LGXLHKOFGKUTMO-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213712 1315629853 /nfs/dbraw/zinc/62/98/53/1315629853.db2.gz LKDJSZIYBXZCNN-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213712 1315629855 /nfs/dbraw/zinc/62/98/55/1315629855.db2.gz LKDJSZIYBXZCNN-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001000192371 1315647804 /nfs/dbraw/zinc/64/78/04/1315647804.db2.gz MASMSKINFHAASQ-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001000191822 1315648410 /nfs/dbraw/zinc/64/84/10/1315648410.db2.gz KESJLTNFNCJFOB-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001000224042 1315648925 /nfs/dbraw/zinc/64/89/25/1315648925.db2.gz HQAOEKHGBMDMPC-SJORKVTESA-N 1 3 337.533 2.786 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001000224983 1315649187 /nfs/dbraw/zinc/64/91/87/1315649187.db2.gz JMGCGPFPOLEHJD-PMACEKPBSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001000224985 1315649276 /nfs/dbraw/zinc/64/92/76/1315649276.db2.gz JMGCGPFPOLEHJD-UXHICEINSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227845 1315650025 /nfs/dbraw/zinc/65/00/25/1315650025.db2.gz CNNILLPNWOXMTR-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227845 1315650029 /nfs/dbraw/zinc/65/00/29/1315650029.db2.gz CNNILLPNWOXMTR-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001000314466 1315653756 /nfs/dbraw/zinc/65/37/56/1315653756.db2.gz XKPSPHRIHJCKCJ-MRXNPFEDSA-N 1 3 330.476 2.503 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001039237685 1315663249 /nfs/dbraw/zinc/66/32/49/1315663249.db2.gz JTMZITCPGTUDJL-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001039237685 1315663252 /nfs/dbraw/zinc/66/32/52/1315663252.db2.gz JTMZITCPGTUDJL-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CSC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038419 1315667459 /nfs/dbraw/zinc/66/74/59/1315667459.db2.gz HMBIETGQHGSXCB-UHFFFAOYSA-N 1 3 334.529 2.841 20 0 EFADHO CCOC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254038106 1315667545 /nfs/dbraw/zinc/66/75/45/1315667545.db2.gz YOQIVAMPOKAUSL-UHFFFAOYSA-N 1 3 332.488 2.514 20 0 EFADHO OC1(C[N@@H+]2CC[C@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038564 1315668003 /nfs/dbraw/zinc/66/80/03/1315668003.db2.gz ITSLRNQTXMSHCX-INIZCTEOSA-N 1 3 342.405 2.898 20 0 EFADHO OC1(C[N@H+]2CC[C@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038564 1315668004 /nfs/dbraw/zinc/66/80/04/1315668004.db2.gz ITSLRNQTXMSHCX-INIZCTEOSA-N 1 3 342.405 2.898 20 0 EFADHO OC1(C[N@@H+]2CC[C@]3(C2)CCCOC3)CCN(Cc2ccccc2)CC1 ZINC001254040194 1315668700 /nfs/dbraw/zinc/66/87/00/1315668700.db2.gz RGGJNNZFCRMCRZ-FQEVSTJZSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@H+]2CC[C@]3(C2)CCCOC3)CCN(Cc2ccccc2)CC1 ZINC001254040194 1315668703 /nfs/dbraw/zinc/66/87/03/1315668703.db2.gz RGGJNNZFCRMCRZ-FQEVSTJZSA-N 1 3 344.499 2.516 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC001254189009 1315679227 /nfs/dbraw/zinc/67/92/27/1315679227.db2.gz YDDAPHMPQFWSHB-INIZCTEOSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@H](NCCC[NH+]2CCCC2)C1 ZINC001254189009 1315679228 /nfs/dbraw/zinc/67/92/28/1315679228.db2.gz YDDAPHMPQFWSHB-INIZCTEOSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)=CCN1CC=C(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000768131 1315685312 /nfs/dbraw/zinc/68/53/12/1315685312.db2.gz VQZSHEDJVSOOSU-IBGZPJMESA-N 1 3 333.520 2.679 20 0 EFADHO CC(C)=CCN1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768131 1315685315 /nfs/dbraw/zinc/68/53/15/1315685315.db2.gz VQZSHEDJVSOOSU-IBGZPJMESA-N 1 3 333.520 2.679 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001254310414 1315693629 /nfs/dbraw/zinc/69/36/29/1315693629.db2.gz NKRZOITYXRZSLJ-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001254305769 1315693951 /nfs/dbraw/zinc/69/39/51/1315693951.db2.gz YAHCGNFJBQQINL-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001254305769 1315693954 /nfs/dbraw/zinc/69/39/54/1315693954.db2.gz YAHCGNFJBQQINL-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001039298244 1315707242 /nfs/dbraw/zinc/70/72/42/1315707242.db2.gz RHPNYLKSZQJROF-IYHXRUFHSA-N 1 3 339.499 2.721 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 ZINC001254512222 1315712027 /nfs/dbraw/zinc/71/20/27/1315712027.db2.gz KWTJDLKURMDJEN-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO COc1cc(C[NH2+][C@H]2CCCN(C)CC2)ccc1OC1CCOCC1 ZINC001254510667 1315712054 /nfs/dbraw/zinc/71/20/54/1315712054.db2.gz PGMBHMWLUMXMCG-KRWDZBQOSA-N 1 3 348.487 2.827 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515710 1315712927 /nfs/dbraw/zinc/71/29/27/1315712927.db2.gz BGIZVYWFSVGNQM-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515710 1315712931 /nfs/dbraw/zinc/71/29/31/1315712931.db2.gz BGIZVYWFSVGNQM-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC001254529433 1315718630 /nfs/dbraw/zinc/71/86/30/1315718630.db2.gz FPSZXNRNDZZERA-MRXNPFEDSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC001254529433 1315718633 /nfs/dbraw/zinc/71/86/33/1315718633.db2.gz FPSZXNRNDZZERA-MRXNPFEDSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1 ZINC001254532750 1315720251 /nfs/dbraw/zinc/72/02/51/1315720251.db2.gz WBMUOGNZXGMSPQ-MSOLQXFVSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)CC1 ZINC001254532750 1315720252 /nfs/dbraw/zinc/72/02/52/1315720252.db2.gz WBMUOGNZXGMSPQ-MSOLQXFVSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254532841 1315720353 /nfs/dbraw/zinc/72/03/53/1315720353.db2.gz XYOHPNHWSALJPT-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254532841 1315720355 /nfs/dbraw/zinc/72/03/55/1315720355.db2.gz XYOHPNHWSALJPT-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)CC1 ZINC001254534268 1315721149 /nfs/dbraw/zinc/72/11/49/1315721149.db2.gz VCHYAGYFHCYXDK-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254534268 1315721151 /nfs/dbraw/zinc/72/11/51/1315721151.db2.gz VCHYAGYFHCYXDK-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO [NH3+]C[C@H](N[C@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1 ZINC001254840769 1315748093 /nfs/dbraw/zinc/74/80/93/1315748093.db2.gz NQXQBRKSYOBXPJ-HOTGVXAUSA-N 1 3 338.293 2.523 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](CC4CC4)C[C@H]32)c1 ZINC001050207366 1315749936 /nfs/dbraw/zinc/74/99/36/1315749936.db2.gz NBIFWAKZUOMMPM-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](CC4CC4)C[C@H]32)c1 ZINC001050207366 1315749940 /nfs/dbraw/zinc/74/99/40/1315749940.db2.gz NBIFWAKZUOMMPM-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001039385098 1315754955 /nfs/dbraw/zinc/75/49/55/1315754955.db2.gz YECQHQKXWMJQCD-ZCNNSNEGSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039385098 1315754957 /nfs/dbraw/zinc/75/49/57/1315754957.db2.gz YECQHQKXWMJQCD-ZCNNSNEGSA-N 1 3 347.547 2.996 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)CC2 ZINC001254988417 1315768459 /nfs/dbraw/zinc/76/84/59/1315768459.db2.gz OMQIHQBVRZLTNV-ULQDDVLXSA-N 1 3 349.519 2.802 20 0 EFADHO CN1CCN(Cc2ccccc2C[NH2+]C2Cc3ccccc3C2)CC1 ZINC001255014042 1315771653 /nfs/dbraw/zinc/77/16/53/1315771653.db2.gz QHUMZGVXGQQGLE-UHFFFAOYSA-N 1 3 335.495 2.691 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039411411 1315773415 /nfs/dbraw/zinc/77/34/15/1315773415.db2.gz TZBMXSDUYBMLPI-HSALFYBXSA-N 1 3 345.531 2.892 20 0 EFADHO O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001255127995 1315779109 /nfs/dbraw/zinc/77/91/09/1315779109.db2.gz HWLZEBIIFFCSGI-RCLSDMTESA-N 1 3 337.467 2.900 20 0 EFADHO CC1(C)OC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC001255128070 1315779559 /nfs/dbraw/zinc/77/95/59/1315779559.db2.gz KBDMXKYCEXNCRY-FCGDIQPGSA-N 1 3 330.472 2.923 20 0 EFADHO CC1(C)OC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255128070 1315779561 /nfs/dbraw/zinc/77/95/61/1315779561.db2.gz KBDMXKYCEXNCRY-FCGDIQPGSA-N 1 3 330.472 2.923 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](Cc1ccsc1)CC2)N(C)C ZINC001050554910 1315781128 /nfs/dbraw/zinc/78/11/28/1315781128.db2.gz OFWPAELJRFMGDN-KRWDZBQOSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2)N(C)C ZINC001050554924 1315781166 /nfs/dbraw/zinc/78/11/66/1315781166.db2.gz OPVZAXYRRDZJQA-SFHVURJKSA-N 1 3 349.563 2.933 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C2 ZINC001255182159 1315788097 /nfs/dbraw/zinc/78/80/97/1315788097.db2.gz CPQQVXAUFXCQGN-ZJPYXAASSA-N 1 3 337.508 2.992 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001255197428 1315790373 /nfs/dbraw/zinc/79/03/73/1315790373.db2.gz XVIGCLRPRIKUQM-BJWYYQGGSA-N 1 3 335.492 2.732 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050660761 1315791224 /nfs/dbraw/zinc/79/12/24/1315791224.db2.gz AHCVRZIVWOZEHL-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001050662110 1315791987 /nfs/dbraw/zinc/79/19/87/1315791987.db2.gz DUEZRLUBUYRBOV-QGZVFWFLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050662765 1315792976 /nfs/dbraw/zinc/79/29/76/1315792976.db2.gz NGKOJGDNVPBOIK-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001050662977 1315793644 /nfs/dbraw/zinc/79/36/44/1315793644.db2.gz ONEODZXTEMHFPB-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255224842 1315793848 /nfs/dbraw/zinc/79/38/48/1315793848.db2.gz IOUMQFZZXAZNEW-LUKYLMHMSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001050663718 1315794169 /nfs/dbraw/zinc/79/41/69/1315794169.db2.gz ZZLHFYQOZDOWHQ-MRXNPFEDSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC2CCCC2)CC3)C1 ZINC001050663596 1315794208 /nfs/dbraw/zinc/79/42/08/1315794208.db2.gz VYRLSVYNWRYLSF-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CCOC(=O)C1CCC(N2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001255255387 1315796952 /nfs/dbraw/zinc/79/69/52/1315796952.db2.gz WOYUFVSHJLDGOS-UHFFFAOYSA-N 1 3 345.487 2.539 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448129 1315797809 /nfs/dbraw/zinc/79/78/09/1315797809.db2.gz XICINKNTRCZNEC-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)[NH+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001050766593 1315809766 /nfs/dbraw/zinc/80/97/66/1315809766.db2.gz SJUWBYSWKVAHHK-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CCC[N@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255382637 1315814485 /nfs/dbraw/zinc/81/44/85/1315814485.db2.gz DTVYSOQJRGOJEV-QHGAOEGBSA-N 1 3 328.456 2.726 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255382637 1315814486 /nfs/dbraw/zinc/81/44/86/1315814486.db2.gz DTVYSOQJRGOJEV-QHGAOEGBSA-N 1 3 328.456 2.726 20 0 EFADHO c1ccc(CN2CCC[C@@H]([NH2+]C3CN(c4ccccn4)C3)CC2)cc1 ZINC001255391182 1315815460 /nfs/dbraw/zinc/81/54/60/1315815460.db2.gz OFYACWCIMBYSCK-LJQANCHMSA-N 1 3 336.483 2.915 20 0 EFADHO OC[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397851 1315816190 /nfs/dbraw/zinc/81/61/90/1315816190.db2.gz HXCPMQGIHNAIMY-ROUUACIJSA-N 1 3 338.442 2.991 20 0 EFADHO OC[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397851 1315816194 /nfs/dbraw/zinc/81/61/94/1315816194.db2.gz HXCPMQGIHNAIMY-ROUUACIJSA-N 1 3 338.442 2.991 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474632 1315817341 /nfs/dbraw/zinc/81/73/41/1315817341.db2.gz RZOBEGMCTNYSIU-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCN(CCN1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407478 1315818536 /nfs/dbraw/zinc/81/85/36/1315818536.db2.gz AQJRPYYRHODRKZ-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO CCN(CCN1CCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407478 1315818539 /nfs/dbraw/zinc/81/85/39/1315818539.db2.gz AQJRPYYRHODRKZ-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO CN(C)C[C@@]12C[C@@H]1C[N@@H+]([C@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255408247 1315818949 /nfs/dbraw/zinc/81/89/49/1315818949.db2.gz IVALFHOBTRICGE-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO CN(C)C[C@@]12C[C@@H]1C[N@H+]([C@H]1CCCN(Cc3ccccc3)CC1)C2 ZINC001255408247 1315818952 /nfs/dbraw/zinc/81/89/52/1315818952.db2.gz IVALFHOBTRICGE-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO c1ccc(CN2CCC[C@H]([N@@H+]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC001255408590 1315819280 /nfs/dbraw/zinc/81/92/80/1315819280.db2.gz OGBWZBLYJLIOLF-FQEVSTJZSA-N 1 3 344.499 2.923 20 0 EFADHO c1ccc(CN2CCC[C@H]([N@H+]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC001255408590 1315819282 /nfs/dbraw/zinc/81/92/82/1315819282.db2.gz OGBWZBLYJLIOLF-FQEVSTJZSA-N 1 3 344.499 2.923 20 0 EFADHO O=C1NCC2(CCN([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)O1 ZINC001255409442 1315819296 /nfs/dbraw/zinc/81/92/96/1315819296.db2.gz YDUPUXSVKABDFI-GOSISDBHSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NCC2(CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)O1 ZINC001255409442 1315819298 /nfs/dbraw/zinc/81/92/98/1315819298.db2.gz YDUPUXSVKABDFI-GOSISDBHSA-N 1 3 343.471 2.616 20 0 EFADHO CCN(CCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255407481 1315819405 /nfs/dbraw/zinc/81/94/05/1315819405.db2.gz AQJRPYYRHODRKZ-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO CCN(CCN1CCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255407481 1315819408 /nfs/dbraw/zinc/81/94/08/1315819408.db2.gz AQJRPYYRHODRKZ-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409861 1315820055 /nfs/dbraw/zinc/82/00/55/1315820055.db2.gz LWQBQWHZFJNVMC-NHCUHLMSSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409861 1315820058 /nfs/dbraw/zinc/82/00/58/1315820058.db2.gz LWQBQWHZFJNVMC-NHCUHLMSSA-N 1 3 343.515 2.984 20 0 EFADHO CN1CCC[C@H](Cc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427425 1315822142 /nfs/dbraw/zinc/82/21/42/1315822142.db2.gz KYPIONURWMKMCE-MSOLQXFVSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@H](Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427425 1315822146 /nfs/dbraw/zinc/82/21/46/1315822146.db2.gz KYPIONURWMKMCE-MSOLQXFVSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@H](N(c2cccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001255494237 1315832420 /nfs/dbraw/zinc/83/24/20/1315832420.db2.gz FIOSVIVZSVYASF-AWEZNQCLSA-N 1 3 342.409 2.753 20 0 EFADHO COC[C@H](C)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001255574328 1315842318 /nfs/dbraw/zinc/84/23/18/1315842318.db2.gz RFKUFUFNXOZIPI-PKOBYXMFSA-N 1 3 332.488 2.777 20 0 EFADHO CC(C)(C)C[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255592946 1315845151 /nfs/dbraw/zinc/84/51/51/1315845151.db2.gz JOUWYKUIABRDOJ-GJZGRUSLSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)(C)C[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255592946 1315845153 /nfs/dbraw/zinc/84/51/53/1315845153.db2.gz JOUWYKUIABRDOJ-GJZGRUSLSA-N 1 3 325.497 2.706 20 0 EFADHO [NH3+]C1(Cc2ccccc2F)CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255619336 1315848877 /nfs/dbraw/zinc/84/88/77/1315848877.db2.gz LVPCQUSVGCVTSO-UHFFFAOYSA-N 1 3 348.462 2.847 20 0 EFADHO COC(=O)C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001255671607 1315855408 /nfs/dbraw/zinc/85/54/08/1315855408.db2.gz LSYSEPJTFXDOAI-YCXXCVGLSA-N 1 3 332.444 2.601 20 0 EFADHO CCOC(=O)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001255672019 1315855850 /nfs/dbraw/zinc/85/58/50/1315855850.db2.gz UWSQBMKIWPTUTE-XVLXNVKGSA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001255672019 1315855854 /nfs/dbraw/zinc/85/58/54/1315855854.db2.gz UWSQBMKIWPTUTE-XVLXNVKGSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC001255675749 1315856761 /nfs/dbraw/zinc/85/67/61/1315856761.db2.gz GWOKQMLLSZCCSS-YCXXCVGLSA-N 1 3 344.455 2.902 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001255681983 1315857679 /nfs/dbraw/zinc/85/76/79/1315857679.db2.gz GYQHTLGZQSFMKI-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001255681983 1315857681 /nfs/dbraw/zinc/85/76/81/1315857681.db2.gz GYQHTLGZQSFMKI-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO COc1cccnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255682060 1315857840 /nfs/dbraw/zinc/85/78/40/1315857840.db2.gz ILXUMZMTYMJSOM-FCLJQHQZSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@@H]1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255682060 1315857843 /nfs/dbraw/zinc/85/78/43/1315857843.db2.gz ILXUMZMTYMJSOM-FCLJQHQZSA-N 1 3 331.460 2.559 20 0 EFADHO CCOc1cccc(N2CC[NH+](C3C[C@H]4CCC[C@@H](C3)N4C)CC2)n1 ZINC001255682344 1315858298 /nfs/dbraw/zinc/85/82/98/1315858298.db2.gz HDEUPJJMHZRWCL-JWTNVVGKSA-N 1 3 344.503 2.618 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039579682 1315879287 /nfs/dbraw/zinc/87/92/87/1315879287.db2.gz RSNVNZRCXMWZKQ-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039579682 1315879290 /nfs/dbraw/zinc/87/92/90/1315879290.db2.gz RSNVNZRCXMWZKQ-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589403 1315880676 /nfs/dbraw/zinc/88/06/76/1315880676.db2.gz BPVPVOMXKBKPRF-LWYYNNOASA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589403 1315880678 /nfs/dbraw/zinc/88/06/78/1315880678.db2.gz BPVPVOMXKBKPRF-LWYYNNOASA-N 1 3 345.531 2.726 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001255955965 1315884836 /nfs/dbraw/zinc/88/48/36/1315884836.db2.gz YFWTXBJFIZQMKM-NNGSBXSVSA-N 1 3 325.497 2.896 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001255962004 1315886240 /nfs/dbraw/zinc/88/62/40/1315886240.db2.gz RSULEUFZBNBZKB-SLYNCCJLSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001255962004 1315886245 /nfs/dbraw/zinc/88/62/45/1315886245.db2.gz RSULEUFZBNBZKB-SLYNCCJLSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001255963268 1315886469 /nfs/dbraw/zinc/88/64/69/1315886469.db2.gz OVEZBCWIMBVESB-NXHRZFHOSA-N 1 3 349.544 2.872 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001255963268 1315886471 /nfs/dbraw/zinc/88/64/71/1315886471.db2.gz OVEZBCWIMBVESB-NXHRZFHOSA-N 1 3 349.544 2.872 20 0 EFADHO CCN(CC)CC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001255963267 1315886831 /nfs/dbraw/zinc/88/68/31/1315886831.db2.gz OVEZBCWIMBVESB-CGTJXYLNSA-N 1 3 349.544 2.872 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039621414 1315886979 /nfs/dbraw/zinc/88/69/79/1315886979.db2.gz VNDNLTIPBHFCPA-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039621414 1315886981 /nfs/dbraw/zinc/88/69/81/1315886981.db2.gz VNDNLTIPBHFCPA-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCC(CC)N1CCC([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255977593 1315888360 /nfs/dbraw/zinc/88/83/60/1315888360.db2.gz PVENPGNHKOPTSI-UHFFFAOYSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001039718418 1315912386 /nfs/dbraw/zinc/91/23/86/1315912386.db2.gz ZREKZCVSTRRXNO-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001039718418 1315912390 /nfs/dbraw/zinc/91/23/90/1315912390.db2.gz ZREKZCVSTRRXNO-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CCOC(=O)N1CCC(N[C@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001256231429 1315921460 /nfs/dbraw/zinc/92/14/60/1315921460.db2.gz BAHSDDJFCZWKGU-GOSISDBHSA-N 1 3 333.476 2.890 20 0 EFADHO CCCN1C[C@H]2C[NH+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001256297054 1315927273 /nfs/dbraw/zinc/92/72/73/1315927273.db2.gz UJQRYESJFCIMKO-HOTGVXAUSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379000 1315939989 /nfs/dbraw/zinc/93/99/89/1315939989.db2.gz ZLFLDNCANLAPSC-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379000 1315939990 /nfs/dbraw/zinc/93/99/90/1315939990.db2.gz ZLFLDNCANLAPSC-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CN(C)C3)CC2)CCN1C(=O)OC(C)(C)C ZINC001256482713 1315947336 /nfs/dbraw/zinc/94/73/36/1315947336.db2.gz FQTOIVQWWYXEPK-HOTGVXAUSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528220 1315952200 /nfs/dbraw/zinc/95/22/00/1315952200.db2.gz CMHXXZLGLYJORU-FUHWJXTLSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528220 1315952202 /nfs/dbraw/zinc/95/22/02/1315952202.db2.gz CMHXXZLGLYJORU-FUHWJXTLSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CNC(=O)O3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256555384 1315957602 /nfs/dbraw/zinc/95/76/02/1315957602.db2.gz UNIUHPDCXAUEFA-FUHWJXTLSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CNC(=O)O3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256555384 1315957603 /nfs/dbraw/zinc/95/76/03/1315957603.db2.gz UNIUHPDCXAUEFA-FUHWJXTLSA-N 1 3 343.471 2.614 20 0 EFADHO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256570138 1315960921 /nfs/dbraw/zinc/96/09/21/1315960921.db2.gz ZCGHAWVXARWWAG-LIRRHRJNSA-N 1 3 337.508 2.848 20 0 EFADHO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256570138 1315960924 /nfs/dbraw/zinc/96/09/24/1315960924.db2.gz ZCGHAWVXARWWAG-LIRRHRJNSA-N 1 3 337.508 2.848 20 0 EFADHO CC(C)N1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001256587491 1315965394 /nfs/dbraw/zinc/96/53/94/1315965394.db2.gz INXQTBGERNOYTE-PXNSSMCTSA-N 1 3 330.520 2.754 20 0 EFADHO c1cn(C2CCN(Cc3ccncc3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC001256594549 1315966204 /nfs/dbraw/zinc/96/62/04/1315966204.db2.gz XCYIOUQWARUKJY-KRWDZBQOSA-N 1 3 325.460 2.582 20 0 EFADHO CC[C@H](C)[C@H](NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N(C)C ZINC001256604117 1315967682 /nfs/dbraw/zinc/96/76/82/1315967682.db2.gz JZUJHLLSFWXMFG-LPHOPBHVSA-N 1 3 331.504 2.744 20 0 EFADHO FC(F)(F)c1cccnc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678707 1315980285 /nfs/dbraw/zinc/98/02/85/1315980285.db2.gz ZBXGLNNDBFRBGQ-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Fc1cccc2c1OCC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679845 1315980416 /nfs/dbraw/zinc/98/04/16/1315980416.db2.gz TZPGLLKEDNCYBW-JTTJXQCZSA-N 1 3 334.435 2.882 20 0 EFADHO c1cnc2cccc(C[NH2+]C3CCC(N4CCOCC4)CC3)c2c1 ZINC001256679430 1315980430 /nfs/dbraw/zinc/98/04/30/1315980430.db2.gz KQEBCXIFOUCCMQ-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO Fc1cc(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c(F)c1 ZINC001256682757 1315980674 /nfs/dbraw/zinc/98/06/74/1315980674.db2.gz PHPYSNNTOOKJCZ-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO Cc1ccccc1OC[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681776 1315980924 /nfs/dbraw/zinc/98/09/24/1315980924.db2.gz BXYWTUAPFSMJNR-VIQWUECVSA-N 1 3 332.488 2.995 20 0 EFADHO COc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681170 1315981131 /nfs/dbraw/zinc/98/11/31/1315981131.db2.gz MQXYGFFKCZEZLL-LBXVMSDZSA-N 1 3 330.472 2.916 20 0 EFADHO O[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1cc2ccccc2o1 ZINC001256687627 1315981455 /nfs/dbraw/zinc/98/14/55/1315981455.db2.gz DHTBYFLUGHEVJP-DAWZGUTISA-N 1 3 344.455 2.699 20 0 EFADHO FC(F)(F)c1ccnc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256685913 1315981508 /nfs/dbraw/zinc/98/15/08/1315981508.db2.gz IPWWSQZMNFTIHS-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Fc1cc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256685818 1315981566 /nfs/dbraw/zinc/98/15/66/1315981566.db2.gz HHOYHOFJINOBIZ-FAFZWHIHSA-N 1 3 333.451 2.905 20 0 EFADHO [NH3+]CCc1cc2ccccc2n1C1CCC(N2CCOCC2)CC1 ZINC001256684168 1315981651 /nfs/dbraw/zinc/98/16/51/1315981651.db2.gz NERFITCDVUOFEF-UHFFFAOYSA-N 1 3 327.472 2.958 20 0 EFADHO COc1ccc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256685902 1315981775 /nfs/dbraw/zinc/98/17/75/1315981775.db2.gz IZRBVWLEDCUXAI-UHFFFAOYSA-N 1 3 347.503 2.601 20 0 EFADHO CCC[N@H+](CCc1ccccn1)C1CCC(N2CCOCC2)CC1 ZINC001256695875 1315983795 /nfs/dbraw/zinc/98/37/95/1315983795.db2.gz QXRJWSHQGMBFMZ-UHFFFAOYSA-N 1 3 331.504 2.980 20 0 EFADHO CCC[N@@H+](CCc1ccccn1)C1CCC(N2CCOCC2)CC1 ZINC001256695875 1315983797 /nfs/dbraw/zinc/98/37/97/1315983797.db2.gz QXRJWSHQGMBFMZ-UHFFFAOYSA-N 1 3 331.504 2.980 20 0 EFADHO C[C@@H](Cc1ccncc1)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001256741844 1315988415 /nfs/dbraw/zinc/98/84/15/1315988415.db2.gz MTZJBKAIOCKQRM-IOMROCGXSA-N 1 3 343.515 2.693 20 0 EFADHO C[C@@H](Cc1ccncc1)N1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001256741844 1315988416 /nfs/dbraw/zinc/98/84/16/1315988416.db2.gz MTZJBKAIOCKQRM-IOMROCGXSA-N 1 3 343.515 2.693 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@@H+]1C ZINC001039876100 1315995707 /nfs/dbraw/zinc/99/57/07/1315995707.db2.gz LMCJZFLPMSFVCH-DSLXNQLJSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@H+]1C ZINC001039876100 1315995710 /nfs/dbraw/zinc/99/57/10/1315995710.db2.gz LMCJZFLPMSFVCH-DSLXNQLJSA-N 1 3 333.520 2.582 20 0 EFADHO Brc1cnccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001256852083 1315998962 /nfs/dbraw/zinc/99/89/62/1315998962.db2.gz CFOTZTCKLIHJIC-UHFFFAOYSA-N 1 3 347.260 2.998 20 0 EFADHO Cc1cccnc1N1CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256855200 1315999577 /nfs/dbraw/zinc/99/95/77/1315999577.db2.gz HXQHNTKPBNXTRW-UHFFFAOYSA-N 1 3 337.471 2.576 20 0 EFADHO Oc1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861736 1316000658 /nfs/dbraw/zinc/00/06/58/1316000658.db2.gz BMJZYCWOLWOMLO-UHFFFAOYSA-N 1 3 338.455 2.578 20 0 EFADHO Cc1ccnc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC001256861031 1316000845 /nfs/dbraw/zinc/00/08/45/1316000845.db2.gz KUOQXPMCHNHGTQ-UHFFFAOYSA-N 1 3 337.471 2.576 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895047 1316006194 /nfs/dbraw/zinc/00/61/94/1316006194.db2.gz QIDNRESBQUEHEL-HZPDHXFCSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895047 1316006197 /nfs/dbraw/zinc/00/61/97/1316006197.db2.gz QIDNRESBQUEHEL-HZPDHXFCSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901564 1316007071 /nfs/dbraw/zinc/00/70/71/1316007071.db2.gz YCZSRTYROWLGGV-DOTOQJQBSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901564 1316007076 /nfs/dbraw/zinc/00/70/76/1316007076.db2.gz YCZSRTYROWLGGV-DOTOQJQBSA-N 1 3 337.508 2.992 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908619 1316008595 /nfs/dbraw/zinc/00/85/95/1316008595.db2.gz PMKVCTIURFYKSM-RBUKOAKNSA-N 1 3 341.499 2.898 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908619 1316008598 /nfs/dbraw/zinc/00/85/98/1316008598.db2.gz PMKVCTIURFYKSM-RBUKOAKNSA-N 1 3 341.499 2.898 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001257035514 1316023465 /nfs/dbraw/zinc/02/34/65/1316023465.db2.gz DJUIASZYDDSAAH-RBUKOAKNSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001257039997 1316024125 /nfs/dbraw/zinc/02/41/25/1316024125.db2.gz NFBMAMUZEUMTGA-MSOLQXFVSA-N 1 3 345.487 2.615 20 0 EFADHO O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943138 1316026220 /nfs/dbraw/zinc/02/62/20/1316026220.db2.gz LZBMBSSLLPBJBB-YSTOQKLRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943138 1316026224 /nfs/dbraw/zinc/02/62/24/1316026224.db2.gz LZBMBSSLLPBJBB-YSTOQKLRSA-N 1 3 345.531 2.869 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001039973622 1316043408 /nfs/dbraw/zinc/04/34/08/1316043408.db2.gz BLUOUWOQUVRALW-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001039973622 1316043410 /nfs/dbraw/zinc/04/34/10/1316043410.db2.gz BLUOUWOQUVRALW-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC1 ZINC001257211054 1316046696 /nfs/dbraw/zinc/04/66/96/1316046696.db2.gz ACQSNSOLDLRIDM-UHFFFAOYSA-N 1 3 331.504 2.819 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(c3ncnc4ccccc43)C2)CC1 ZINC001257212073 1316047075 /nfs/dbraw/zinc/04/70/75/1316047075.db2.gz TZBNOIWLARKPKY-QGZVFWFLSA-N 1 3 339.487 2.671 20 0 EFADHO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC001257211819 1316047227 /nfs/dbraw/zinc/04/72/27/1316047227.db2.gz NTKVHYRVAGGHQI-IBGZPJMESA-N 1 3 331.504 2.732 20 0 EFADHO CC(C)N1CCC([N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001257217890 1316048248 /nfs/dbraw/zinc/04/82/48/1316048248.db2.gz PRQYEWROKZYSCG-MRXNPFEDSA-N 1 3 325.497 2.800 20 0 EFADHO CC(C)N1CCC([N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001257217890 1316048251 /nfs/dbraw/zinc/04/82/51/1316048251.db2.gz PRQYEWROKZYSCG-MRXNPFEDSA-N 1 3 325.497 2.800 20 0 EFADHO COC(=O)[C@H]1CN(C2CC[NH+](C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC001257223184 1316048795 /nfs/dbraw/zinc/04/87/95/1316048795.db2.gz MGILUKKOXAKQJN-MOPGFXCFSA-N 1 3 330.472 2.748 20 0 EFADHO COC(=O)[C@H]1CN(C2CC[NH+](C(C)C)CC2)C[C@H]1c1ccccc1 ZINC001257223185 1316049313 /nfs/dbraw/zinc/04/93/13/1316049313.db2.gz MGILUKKOXAKQJN-OALUTQOASA-N 1 3 330.472 2.748 20 0 EFADHO CCC[C@@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257245256 1316050848 /nfs/dbraw/zinc/05/08/48/1316050848.db2.gz MDOUTQUYJYMDOY-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCCC2)C1 ZINC001040005825 1316052290 /nfs/dbraw/zinc/05/22/90/1316052290.db2.gz HSCZZPDKDLKWHF-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCCC2)C1 ZINC001040005825 1316052292 /nfs/dbraw/zinc/05/22/92/1316052292.db2.gz HSCZZPDKDLKWHF-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2=CCCCC2)C1 ZINC001040006085 1316052511 /nfs/dbraw/zinc/05/25/11/1316052511.db2.gz QIRKNRQEVPXWGG-AQNXPRMDSA-N 1 3 345.531 2.894 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2=CCCCC2)C1 ZINC001040006085 1316052513 /nfs/dbraw/zinc/05/25/13/1316052513.db2.gz QIRKNRQEVPXWGG-AQNXPRMDSA-N 1 3 345.531 2.894 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCCSC2)CC3)cn1 ZINC001257676236 1316085415 /nfs/dbraw/zinc/08/54/15/1316085415.db2.gz VAGSFWGBMDNTQR-KRWDZBQOSA-N 1 3 334.533 2.746 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257805674 1316094866 /nfs/dbraw/zinc/09/48/66/1316094866.db2.gz QVCZSEOSYRSUJU-VKJFTORMSA-N 1 3 325.497 2.741 20 0 EFADHO COc1ccc(C2([NH3+])CCN(C3CCC4(COC4)CC3)CC2)cc1 ZINC001257904415 1316102650 /nfs/dbraw/zinc/10/26/50/1316102650.db2.gz VMLPUBULJOXPMJ-UHFFFAOYSA-N 1 3 330.472 2.904 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(c3ccncc3)CCOCC2)CC1 ZINC001258007918 1316109384 /nfs/dbraw/zinc/10/93/84/1316109384.db2.gz XCBRNZKAZUHXNZ-UHFFFAOYSA-N 1 3 331.504 2.840 20 0 EFADHO COc1ccc2c(c1)OC[C@@H](C[NH2+]C1CCN(CC(C)C)CC1)C2 ZINC001258009202 1316109394 /nfs/dbraw/zinc/10/93/94/1316109394.db2.gz QMGKXSHLPZZQJQ-MRXNPFEDSA-N 1 3 332.488 2.956 20 0 EFADHO CC(C)CN1CCC([NH2+]C2CCN(CC(=O)C(C)(C)C)CC2)CC1 ZINC001258008488 1316109488 /nfs/dbraw/zinc/10/94/88/1316109488.db2.gz WHCCOGKZINFUJT-UHFFFAOYSA-N 1 3 337.552 2.776 20 0 EFADHO COc1ccc2c(c1)OC[C@H](C[NH2+]C1CCN(CC(C)C)CC1)C2 ZINC001258009201 1316109789 /nfs/dbraw/zinc/10/97/89/1316109789.db2.gz QMGKXSHLPZZQJQ-INIZCTEOSA-N 1 3 332.488 2.956 20 0 EFADHO CC(C)C[NH+]1CCC(N2CC[C@]3(C2)c2ccccc2N(C)C3=O)CC1 ZINC001258014354 1316110944 /nfs/dbraw/zinc/11/09/44/1316110944.db2.gz GZURICNEGIQFER-NRFANRHFSA-N 1 3 341.499 2.727 20 0 EFADHO CCOC(=O)CCC[C@H](C)N1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001258114271 1316119719 /nfs/dbraw/zinc/11/97/19/1316119719.db2.gz QYPBYCYESAYUCU-INIZCTEOSA-N 1 3 333.476 2.539 20 0 EFADHO CCN1C[C@@H]2C[N@H+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258149886 1316125151 /nfs/dbraw/zinc/12/51/51/1316125151.db2.gz SCPXODVJIICPGF-BGYRXZFFSA-N 1 3 327.516 2.577 20 0 EFADHO CCN1C[C@@H]2C[N@@H+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258149886 1316125152 /nfs/dbraw/zinc/12/51/52/1316125152.db2.gz SCPXODVJIICPGF-BGYRXZFFSA-N 1 3 327.516 2.577 20 0 EFADHO COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001258350549 1316142279 /nfs/dbraw/zinc/14/22/79/1316142279.db2.gz BAYLEZDXBWUILL-DSLXNQLJSA-N 1 3 330.472 2.828 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)N1CCCCC1 ZINC001040206901 1316143229 /nfs/dbraw/zinc/14/32/29/1316143229.db2.gz AQCIYUZASJCMNZ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC001040206901 1316143230 /nfs/dbraw/zinc/14/32/30/1316143230.db2.gz AQCIYUZASJCMNZ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207748 1316144032 /nfs/dbraw/zinc/14/40/32/1316144032.db2.gz HMEQCBHWSIULFN-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207748 1316144034 /nfs/dbraw/zinc/14/40/34/1316144034.db2.gz HMEQCBHWSIULFN-FQEVSTJZSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207749 1316144343 /nfs/dbraw/zinc/14/43/43/1316144343.db2.gz HMEQCBHWSIULFN-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040207749 1316144344 /nfs/dbraw/zinc/14/43/44/1316144344.db2.gz HMEQCBHWSIULFN-HXUWFJFHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001040241855 1316161852 /nfs/dbraw/zinc/16/18/52/1316161852.db2.gz UIOUHBJHAHIFOS-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001040241855 1316161854 /nfs/dbraw/zinc/16/18/54/1316161854.db2.gz UIOUHBJHAHIFOS-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040242502 1316161977 /nfs/dbraw/zinc/16/19/77/1316161977.db2.gz YIDBGNXULVRCFZ-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040242502 1316161980 /nfs/dbraw/zinc/16/19/80/1316161980.db2.gz YIDBGNXULVRCFZ-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN([C@H]1CCC(C)(C)C1)CCC2 ZINC001258603300 1316167049 /nfs/dbraw/zinc/16/70/49/1316167049.db2.gz HYKKJQJXYUICJL-KRWDZBQOSA-N 1 3 346.519 2.868 20 0 EFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN([C@H]1CCC(C)(C)C1)CCC2 ZINC001258603300 1316167050 /nfs/dbraw/zinc/16/70/50/1316167050.db2.gz HYKKJQJXYUICJL-KRWDZBQOSA-N 1 3 346.519 2.868 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC001258770182 1316175698 /nfs/dbraw/zinc/17/56/98/1316175698.db2.gz GAZCMLUVXMWASX-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO CCC[NH+]1CCC(NCC2(c3ncccc3OC)CCOCC2)CC1 ZINC001258770241 1316175816 /nfs/dbraw/zinc/17/58/16/1316175816.db2.gz HYEQTVRFJXOCMK-UHFFFAOYSA-N 1 3 347.503 2.602 20 0 EFADHO CCCN1CCC([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001258777045 1316178321 /nfs/dbraw/zinc/17/83/21/1316178321.db2.gz MLSFSCQWROGBJP-SFHVURJKSA-N 1 3 327.472 2.591 20 0 EFADHO CCCN1CCC([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001258777045 1316178322 /nfs/dbraw/zinc/17/83/22/1316178322.db2.gz MLSFSCQWROGBJP-SFHVURJKSA-N 1 3 327.472 2.591 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCC(=O)c1cc(OC)ccc1OC ZINC001258898414 1316190472 /nfs/dbraw/zinc/19/04/72/1316190472.db2.gz WWWFTLFTNMYCMO-HNNXBMFYSA-N 1 3 336.476 2.987 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001258906990 1316190994 /nfs/dbraw/zinc/19/09/94/1316190994.db2.gz CLDAMLFLGUYZSU-CTNGQTDRSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040379649 1316230674 /nfs/dbraw/zinc/23/06/74/1316230674.db2.gz MCCCZQUNMVBCMY-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040379649 1316230675 /nfs/dbraw/zinc/23/06/75/1316230675.db2.gz MCCCZQUNMVBCMY-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040430350 1316260284 /nfs/dbraw/zinc/26/02/84/1316260284.db2.gz BFYRCMNEGMTFQF-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040430350 1316260286 /nfs/dbraw/zinc/26/02/86/1316260286.db2.gz BFYRCMNEGMTFQF-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040430346 1316260549 /nfs/dbraw/zinc/26/05/49/1316260549.db2.gz BFYRCMNEGMTFQF-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040430346 1316260552 /nfs/dbraw/zinc/26/05/52/1316260552.db2.gz BFYRCMNEGMTFQF-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465432 1316280543 /nfs/dbraw/zinc/28/05/43/1316280543.db2.gz XPHWZGLPVHNJDC-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040465432 1316280547 /nfs/dbraw/zinc/28/05/47/1316280547.db2.gz XPHWZGLPVHNJDC-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040541475 1316314523 /nfs/dbraw/zinc/31/45/23/1316314523.db2.gz AOQJKEYNCKLZIK-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001040541475 1316314526 /nfs/dbraw/zinc/31/45/26/1316314526.db2.gz AOQJKEYNCKLZIK-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727572 1316361444 /nfs/dbraw/zinc/36/14/44/1316361444.db2.gz SZKLNHDUCAHFIY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001072297276 1316373841 /nfs/dbraw/zinc/37/38/41/1316373841.db2.gz HXCCMOVDKMCISD-WBVHZDCISA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C)c1 ZINC001072369118 1316378123 /nfs/dbraw/zinc/37/81/23/1316378123.db2.gz LRRXMABGCSQNRD-FUHWJXTLSA-N 1 3 340.471 2.535 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CCCC2)CC3)C1 ZINC001040848126 1316388409 /nfs/dbraw/zinc/38/84/09/1316388409.db2.gz DOZSNVNAAWOSKO-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CC[NH+]1CCC2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001040848549 1316388748 /nfs/dbraw/zinc/38/87/48/1316388748.db2.gz KQBFUVMIMBYTNF-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2)N(C)C ZINC001072955287 1316424802 /nfs/dbraw/zinc/42/48/02/1316424802.db2.gz CJWZSINOEIFRGY-CTWPCTMYSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2)N(C)C ZINC001072955287 1316424804 /nfs/dbraw/zinc/42/48/04/1316424804.db2.gz CJWZSINOEIFRGY-CTWPCTMYSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1C)C2)N(C)C ZINC001072991361 1316427387 /nfs/dbraw/zinc/42/73/87/1316427387.db2.gz SVRIOXFEFQAARW-MJGOQNOKSA-N 1 3 343.515 2.931 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1C)C2)N(C)C ZINC001072991361 1316427390 /nfs/dbraw/zinc/42/73/90/1316427390.db2.gz SVRIOXFEFQAARW-MJGOQNOKSA-N 1 3 343.515 2.931 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)N(C)C ZINC001262565802 1316472463 /nfs/dbraw/zinc/47/24/63/1316472463.db2.gz WQUVQDGDTFGAJI-DGCLKSJQSA-N 1 3 335.275 2.663 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073034 1316496875 /nfs/dbraw/zinc/49/68/75/1316496875.db2.gz GSUDZZIIJNLUAI-QGZVFWFLSA-N 1 3 332.492 2.701 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001074073034 1316496878 /nfs/dbraw/zinc/49/68/78/1316496878.db2.gz GSUDZZIIJNLUAI-QGZVFWFLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041277182 1316499550 /nfs/dbraw/zinc/49/95/50/1316499550.db2.gz NOBKOGNEJMHNON-DHWGOORTSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041277182 1316499553 /nfs/dbraw/zinc/49/95/53/1316499553.db2.gz NOBKOGNEJMHNON-DHWGOORTSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N1CCCCC1 ZINC001041286903 1316503193 /nfs/dbraw/zinc/50/31/93/1316503193.db2.gz NAHQCICNMYRSAQ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N1CCCCC1 ZINC001041286903 1316503195 /nfs/dbraw/zinc/50/31/95/1316503195.db2.gz NAHQCICNMYRSAQ-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N1CCCCC1 ZINC001041286901 1316503333 /nfs/dbraw/zinc/50/33/33/1316503333.db2.gz NAHQCICNMYRSAQ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N1CCCCC1 ZINC001041286901 1316503335 /nfs/dbraw/zinc/50/33/35/1316503335.db2.gz NAHQCICNMYRSAQ-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)CC[N@@H+]1C ZINC001041302112 1316506879 /nfs/dbraw/zinc/50/68/79/1316506879.db2.gz UBOQCKZIRBRPSJ-SUMDDJOVSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)CC[N@H+]1C ZINC001041302112 1316506883 /nfs/dbraw/zinc/50/68/83/1316506883.db2.gz UBOQCKZIRBRPSJ-SUMDDJOVSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074564868 1316525102 /nfs/dbraw/zinc/52/51/02/1316525102.db2.gz IAAUDYRYHLVXLD-VDGAXYAQSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565107 1316525305 /nfs/dbraw/zinc/52/53/05/1316525305.db2.gz TVYAJMMMZMKTLT-SZMVWBNQSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)CCC1 ZINC001041355845 1316525330 /nfs/dbraw/zinc/52/53/30/1316525330.db2.gz RADUGUZNMQEVNP-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)CCC1 ZINC001041355845 1316525334 /nfs/dbraw/zinc/52/53/34/1316525334.db2.gz RADUGUZNMQEVNP-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360539 1316527825 /nfs/dbraw/zinc/52/78/25/1316527825.db2.gz YZGZAVTXWYDLEV-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360539 1316527828 /nfs/dbraw/zinc/52/78/28/1316527828.db2.gz YZGZAVTXWYDLEV-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687067 1316530238 /nfs/dbraw/zinc/53/02/38/1316530238.db2.gz PGEHEYQPQRAMRG-GJYPPUQNSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccccc1F ZINC001074687065 1316530381 /nfs/dbraw/zinc/53/03/81/1316530381.db2.gz PESBQBJVQZODPF-VCBZYWHSSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041378509 1316532632 /nfs/dbraw/zinc/53/26/32/1316532632.db2.gz KCFYEAHCFCBOIJ-PZJWPPBQSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041378509 1316532635 /nfs/dbraw/zinc/53/26/35/1316532635.db2.gz KCFYEAHCFCBOIJ-PZJWPPBQSA-N 1 3 347.547 2.997 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)c1 ZINC001074878240 1316539088 /nfs/dbraw/zinc/53/90/88/1316539088.db2.gz IEQQZAPFNCJYPL-UWVAXJGDSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)c1 ZINC001074877817 1316539164 /nfs/dbraw/zinc/53/91/64/1316539164.db2.gz NZJXVNUVZKHPLG-BJLQDIEVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)c1 ZINC001074877798 1316539203 /nfs/dbraw/zinc/53/92/03/1316539203.db2.gz MUEKZPPPTFPSFF-LNLFQRSKSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001074878199 1316539219 /nfs/dbraw/zinc/53/92/19/1316539219.db2.gz GAGUCOKAWAIFGD-QOKNQOGYSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)c1 ZINC001074878095 1316539485 /nfs/dbraw/zinc/53/94/85/1316539485.db2.gz ZQLQZHSOWGYGQP-BJLQDIEVSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001074877801 1316539635 /nfs/dbraw/zinc/53/96/35/1316539635.db2.gz MZNWLEWQIZRDHG-BXWFABGCSA-N 1 3 347.478 2.719 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041402032 1316540814 /nfs/dbraw/zinc/54/08/14/1316540814.db2.gz FIOGHQQMKIIJIP-QUCCMNQESA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041402032 1316540818 /nfs/dbraw/zinc/54/08/18/1316540818.db2.gz FIOGHQQMKIIJIP-QUCCMNQESA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041404722 1316542232 /nfs/dbraw/zinc/54/22/32/1316542232.db2.gz VKQUNRTZAZBXTN-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041404722 1316542233 /nfs/dbraw/zinc/54/22/33/1316542233.db2.gz VKQUNRTZAZBXTN-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537262 1316580943 /nfs/dbraw/zinc/58/09/43/1316580943.db2.gz URCREBNCOBSWBE-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537261 1316580972 /nfs/dbraw/zinc/58/09/72/1316580972.db2.gz URCREBNCOBSWBE-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671846 1316643385 /nfs/dbraw/zinc/64/33/85/1316643385.db2.gz OKSAAXHWIDRMKI-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671846 1316643389 /nfs/dbraw/zinc/64/33/89/1316643389.db2.gz OKSAAXHWIDRMKI-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672972 1316644029 /nfs/dbraw/zinc/64/40/29/1316644029.db2.gz SAZHLDWFHGNUAB-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672972 1316644032 /nfs/dbraw/zinc/64/40/32/1316644032.db2.gz SAZHLDWFHGNUAB-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677355 1316645726 /nfs/dbraw/zinc/64/57/26/1316645726.db2.gz AWQBWNTVBNVREH-UWJYYQICSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677355 1316645729 /nfs/dbraw/zinc/64/57/29/1316645729.db2.gz AWQBWNTVBNVREH-UWJYYQICSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679577 1316646360 /nfs/dbraw/zinc/64/63/60/1316646360.db2.gz NVWWLRYUNNRUDG-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679577 1316646362 /nfs/dbraw/zinc/64/63/62/1316646362.db2.gz NVWWLRYUNNRUDG-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681217 1316646701 /nfs/dbraw/zinc/64/67/01/1316646701.db2.gz ZEPUNGFMUFNUAL-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681217 1316646703 /nfs/dbraw/zinc/64/67/03/1316646703.db2.gz ZEPUNGFMUFNUAL-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041684051 1316647351 /nfs/dbraw/zinc/64/73/51/1316647351.db2.gz ABMHNXWEWYAOCV-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041684051 1316647353 /nfs/dbraw/zinc/64/73/53/1316647353.db2.gz ABMHNXWEWYAOCV-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041684562 1316647580 /nfs/dbraw/zinc/64/75/80/1316647580.db2.gz CLUYJXROJPEAMM-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041684562 1316647583 /nfs/dbraw/zinc/64/75/83/1316647583.db2.gz CLUYJXROJPEAMM-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001041723394 1316665588 /nfs/dbraw/zinc/66/55/88/1316665588.db2.gz HNDFGVXBNBEKMW-IEBWSBKVSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041723394 1316665590 /nfs/dbraw/zinc/66/55/90/1316665590.db2.gz HNDFGVXBNBEKMW-IEBWSBKVSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755710 1316682631 /nfs/dbraw/zinc/68/26/31/1316682631.db2.gz AYWCFQJMPVUSHU-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755710 1316682634 /nfs/dbraw/zinc/68/26/34/1316682634.db2.gz AYWCFQJMPVUSHU-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(CCN(C(=O)CN4CCC(C)CC4)C3)C2)C1 ZINC001041757481 1316683166 /nfs/dbraw/zinc/68/31/66/1316683166.db2.gz WUERYDBQUAJMOR-GRERDSQWSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(CCN(C(=O)CN4CCC(C)CC4)C3)C2)C1 ZINC001041757481 1316683169 /nfs/dbraw/zinc/68/31/69/1316683169.db2.gz WUERYDBQUAJMOR-GRERDSQWSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(CCN(C(=O)CN4CCC(C)CC4)C3)C2)C1 ZINC001041757482 1316683631 /nfs/dbraw/zinc/68/36/31/1316683631.db2.gz WUERYDBQUAJMOR-GZNCHQMQSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(CCN(C(=O)CN4CCC(C)CC4)C3)C2)C1 ZINC001041757482 1316683633 /nfs/dbraw/zinc/68/36/33/1316683633.db2.gz WUERYDBQUAJMOR-GZNCHQMQSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001265059621 1316706215 /nfs/dbraw/zinc/70/62/15/1316706215.db2.gz DVWRPNZUJSIMNG-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001265059621 1316706216 /nfs/dbraw/zinc/70/62/16/1316706216.db2.gz DVWRPNZUJSIMNG-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844551 1316730633 /nfs/dbraw/zinc/73/06/33/1316730633.db2.gz KSYGTNUJTHVRJL-NRFANRHFSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844551 1316730635 /nfs/dbraw/zinc/73/06/35/1316730635.db2.gz KSYGTNUJTHVRJL-NRFANRHFSA-N 1 3 343.515 2.942 20 0 EFADHO CC[C@H](F)CN1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844797 1316730780 /nfs/dbraw/zinc/73/07/80/1316730780.db2.gz NPEDXDYGMHNMNN-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041845706 1316731938 /nfs/dbraw/zinc/73/19/38/1316731938.db2.gz OGQMFJIVQRNVFI-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001041845706 1316731940 /nfs/dbraw/zinc/73/19/40/1316731940.db2.gz OGQMFJIVQRNVFI-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041845727 1316731982 /nfs/dbraw/zinc/73/19/82/1316731982.db2.gz OXOORBOCVUHWDF-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041845727 1316731985 /nfs/dbraw/zinc/73/19/85/1316731985.db2.gz OXOORBOCVUHWDF-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041845726 1316732440 /nfs/dbraw/zinc/73/24/40/1316732440.db2.gz OXOORBOCVUHWDF-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041845726 1316732441 /nfs/dbraw/zinc/73/24/41/1316732441.db2.gz OXOORBOCVUHWDF-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042061662 1316851903 /nfs/dbraw/zinc/85/19/03/1316851903.db2.gz HUSHGDQDWBDRLK-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001042061662 1316851905 /nfs/dbraw/zinc/85/19/05/1316851905.db2.gz HUSHGDQDWBDRLK-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042061665 1316851953 /nfs/dbraw/zinc/85/19/53/1316851953.db2.gz HUSHGDQDWBDRLK-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042061665 1316851954 /nfs/dbraw/zinc/85/19/54/1316851954.db2.gz HUSHGDQDWBDRLK-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042061504 1316852110 /nfs/dbraw/zinc/85/21/10/1316852110.db2.gz GPBDTXSGEAERDA-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042061504 1316852113 /nfs/dbraw/zinc/85/21/13/1316852113.db2.gz GPBDTXSGEAERDA-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063204 1316853263 /nfs/dbraw/zinc/85/32/63/1316853263.db2.gz SCQHEKISKXZLHQ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063204 1316853265 /nfs/dbraw/zinc/85/32/65/1316853265.db2.gz SCQHEKISKXZLHQ-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186123 1316939716 /nfs/dbraw/zinc/93/97/16/1316939716.db2.gz DFDUVAQYPRZRDM-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186123 1316939719 /nfs/dbraw/zinc/93/97/19/1316939719.db2.gz DFDUVAQYPRZRDM-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2c[nH]c4ccccc24)CC3)cn1 ZINC001279172619 1317203417 /nfs/dbraw/zinc/20/34/17/1317203417.db2.gz LPRMWBSAERLBIX-UHFFFAOYSA-N 1 3 349.482 2.962 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366760 1317221626 /nfs/dbraw/zinc/22/16/26/1317221626.db2.gz XTWPPLOJPQLYBP-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366760 1317221629 /nfs/dbraw/zinc/22/16/29/1317221629.db2.gz XTWPPLOJPQLYBP-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369691 1317224430 /nfs/dbraw/zinc/22/44/30/1317224430.db2.gz ZZCZPOQEQDBJLD-YLJYHZDGSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042369691 1317224438 /nfs/dbraw/zinc/22/44/38/1317224438.db2.gz ZZCZPOQEQDBJLD-YLJYHZDGSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001042369302 1317224998 /nfs/dbraw/zinc/22/49/98/1317224998.db2.gz WDHOFXYCQDJEAJ-XLIONFOSSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001042369302 1317225003 /nfs/dbraw/zinc/22/50/03/1317225003.db2.gz WDHOFXYCQDJEAJ-XLIONFOSSA-N 1 3 341.499 2.695 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1)N(C)C ZINC001319788494 1328989863 /nfs/dbraw/zinc/98/98/63/1328989863.db2.gz OOZCKMZVJCDSCO-RTBURBONSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404702508 1365778011 /nfs/dbraw/zinc/77/80/11/1365778011.db2.gz ASIHSFOFBIOKRR-FGTMMUONSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404702508 1365778013 /nfs/dbraw/zinc/77/80/13/1365778013.db2.gz ASIHSFOFBIOKRR-FGTMMUONSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404910356 1365901278 /nfs/dbraw/zinc/90/12/78/1365901278.db2.gz VEPFOFGAXKUCSY-INIZCTEOSA-N 1 3 325.541 2.695 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001491582715 1323723915 /nfs/dbraw/zinc/72/39/15/1323723915.db2.gz GKTOLUITWSUYNG-PALPZSCYSA-N 1 3 337.895 2.788 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001491835195 1323929321 /nfs/dbraw/zinc/92/93/21/1323929321.db2.gz VZRKWWNVMYXSIC-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001491849310 1323944950 /nfs/dbraw/zinc/94/49/50/1323944950.db2.gz GSWVEUCECGKDJV-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001491891356 1324000765 /nfs/dbraw/zinc/00/07/65/1324000765.db2.gz JJXONHKXIPOOTF-OALUTQOASA-N 1 3 331.504 2.854 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001491932060 1324046715 /nfs/dbraw/zinc/04/67/15/1324046715.db2.gz FOENBYIULMYCPY-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001491932060 1324046720 /nfs/dbraw/zinc/04/67/20/1324046720.db2.gz FOENBYIULMYCPY-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492424207 1324501455 /nfs/dbraw/zinc/50/14/55/1324501455.db2.gz RFYXJCJQJFYHEF-AWEZNQCLSA-N 1 3 337.895 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492424207 1324501460 /nfs/dbraw/zinc/50/14/60/1324501460.db2.gz RFYXJCJQJFYHEF-AWEZNQCLSA-N 1 3 337.895 2.538 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001320767773 1329183692 /nfs/dbraw/zinc/18/36/92/1329183692.db2.gz VPIQDCQWCHMAQB-QGZVFWFLSA-N 1 3 331.460 2.711 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001317628797 1328211010 /nfs/dbraw/zinc/21/10/10/1328211010.db2.gz URAVLPBKEWLHMC-MRXNPFEDSA-N 1 3 341.446 2.758 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001381587811 1348383136 /nfs/dbraw/zinc/38/31/36/1348383136.db2.gz KRYMWTRROBYRPT-MRXNPFEDSA-N 1 3 349.494 2.803 20 0 EFADHO CC[N@@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395255 1331342329 /nfs/dbraw/zinc/34/23/29/1331342329.db2.gz SASVSZOOPIDWSQ-CYBMUJFWSA-N 1 3 343.393 2.965 20 0 EFADHO CC[N@H+]1CC[C@H](CNCCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395255 1331342333 /nfs/dbraw/zinc/34/23/33/1331342333.db2.gz SASVSZOOPIDWSQ-CYBMUJFWSA-N 1 3 343.393 2.965 20 0 EFADHO CCN1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001335395255 1331342336 /nfs/dbraw/zinc/34/23/36/1331342336.db2.gz SASVSZOOPIDWSQ-CYBMUJFWSA-N 1 3 343.393 2.965 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C[C@@H](C)O1 ZINC001336762791 1331500768 /nfs/dbraw/zinc/50/07/68/1331500768.db2.gz ISORDWLRUNDYEN-QZTJIDSGSA-N 1 3 347.503 2.519 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@@H](C)[C@H]2CN(C)CCN2C)c1C ZINC001339814578 1332104103 /nfs/dbraw/zinc/10/41/03/1332104103.db2.gz COPRWTIYUZERNN-HNAYVOBHSA-N 1 3 326.488 2.574 20 0 EFADHO CN(C)C(=O)OCCN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001340015666 1332128545 /nfs/dbraw/zinc/12/85/45/1332128545.db2.gz DHWXDLKNJCCSFT-KRWDZBQOSA-N 1 3 333.476 2.575 20 0 EFADHO CN(C)C(=O)OCCN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001340015666 1332128549 /nfs/dbraw/zinc/12/85/49/1332128549.db2.gz DHWXDLKNJCCSFT-KRWDZBQOSA-N 1 3 333.476 2.575 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cc2cccc(OC)c2o1 ZINC001346589299 1332659340 /nfs/dbraw/zinc/65/93/40/1332659340.db2.gz YWCSHHWJVGPCTC-CQSZACIVSA-N 1 3 330.432 2.540 20 0 EFADHO COc1ncc(Br)cc1CNCCC1CC[NH+](C)CC1 ZINC001351780890 1333286491 /nfs/dbraw/zinc/28/64/91/1333286491.db2.gz IARFMVYYGVLSOJ-UHFFFAOYSA-N 1 3 342.281 2.674 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001911145 1333717089 /nfs/dbraw/zinc/71/70/89/1333717089.db2.gz KUSFTFYSGLYKHZ-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002004650 1333904286 /nfs/dbraw/zinc/90/42/86/1333904286.db2.gz OYSIJDRGDHVHTI-SFHVURJKSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)c1cccc(CNC2CC(CNC(=O)CCC[NH+](C)C)C2)n1 ZINC001100619804 1334416454 /nfs/dbraw/zinc/41/64/54/1334416454.db2.gz IYTGSKCSCVWUFU-UHFFFAOYSA-N 1 3 346.519 2.531 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637397 1334459876 /nfs/dbraw/zinc/45/98/76/1334459876.db2.gz QCSTUTQLTMSRNW-UHFFFAOYSA-N 1 3 337.895 2.585 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001100647121 1334481474 /nfs/dbraw/zinc/48/14/74/1334481474.db2.gz DSWSFLNOCGHWFK-SOAGJPPSSA-N 1 3 345.531 2.820 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001100647461 1334482483 /nfs/dbraw/zinc/48/24/83/1334482483.db2.gz WQJCHZOARHFQKX-SOAGJPPSSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001100651717 1334491485 /nfs/dbraw/zinc/49/14/85/1334491485.db2.gz FKDFUSRITGNQRB-QMEOEDOASA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@H](C(=O)NCC1CC(NCc2ccccc2F)C1)[NH+](CC)CC ZINC001100669501 1334534125 /nfs/dbraw/zinc/53/41/25/1334534125.db2.gz ZXFJKLVYLFPXNL-GXOAENINSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100675915 1334549723 /nfs/dbraw/zinc/54/97/23/1334549723.db2.gz CFXXILXAAGRFTL-LYGPFTKASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676177 1334550123 /nfs/dbraw/zinc/55/01/23/1334550123.db2.gz JCWDRBLVDZSMNL-LMDPOFIKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCc2ccsc2)C1 ZINC001100676380 1334550645 /nfs/dbraw/zinc/55/06/45/1334550645.db2.gz MPJHNCRJACMZOH-ZLPCBKJTSA-N 1 3 349.544 2.649 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001100676990 1334552909 /nfs/dbraw/zinc/55/29/09/1334552909.db2.gz VQSASUVVEZMFRN-DZIBYMRMSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001100678314 1334556357 /nfs/dbraw/zinc/55/63/57/1334556357.db2.gz HBKKINPTABGNBQ-NXVRBGIVSA-N 1 3 349.906 2.666 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001100683505 1334568734 /nfs/dbraw/zinc/56/87/34/1334568734.db2.gz FMPNVUCDZGLLLV-PREGVCBESA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cccc(C(C)C)n2)C1)N(C)C ZINC001100683518 1334568757 /nfs/dbraw/zinc/56/87/57/1334568757.db2.gz FXMJOJXJOWYGIV-KVWWFHCMSA-N 1 3 346.519 2.530 20 0 EFADHO COc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](N2CCOCC2)CC1 ZINC000848794737 1334901645 /nfs/dbraw/zinc/90/16/45/1334901645.db2.gz UQAKQAGZSXBQBS-MRXNPFEDSA-N 1 3 341.455 2.935 20 0 EFADHO COCC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000848987575 1335026820 /nfs/dbraw/zinc/02/68/20/1335026820.db2.gz IGUDSNQJROEJLI-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC000849000918 1335033323 /nfs/dbraw/zinc/03/33/23/1335033323.db2.gz HWHOJXFYDJBKDQ-JXFKEZNVSA-N 1 3 346.519 2.862 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCn1ccc2cc(Cl)ccc21 ZINC000849051839 1335058102 /nfs/dbraw/zinc/05/81/02/1335058102.db2.gz IPCFJXSGCARVNZ-INIZCTEOSA-N 1 3 347.894 2.893 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)N(C)C ZINC001356594747 1335059991 /nfs/dbraw/zinc/05/99/91/1335059991.db2.gz FXOJZCCAWZHQPV-BXUZGUMPSA-N 1 3 335.275 2.663 20 0 EFADHO CCCCOCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849057718 1335062222 /nfs/dbraw/zinc/06/22/22/1335062222.db2.gz WGWYGIXGBJCJQU-UHFFFAOYSA-N 1 3 346.519 2.972 20 0 EFADHO C[C@H]1C[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849075362 1335069884 /nfs/dbraw/zinc/06/98/84/1335069884.db2.gz ZSJHAHLCBCRXLT-FUHWJXTLSA-N 1 3 344.503 2.580 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(Cc2ccc(F)cc2)CC1 ZINC000849075328 1335069936 /nfs/dbraw/zinc/06/99/36/1335069936.db2.gz VCHCDDSMIVQLQE-KRWDZBQOSA-N 1 3 332.467 2.747 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(c2ccc(OC)cc2)CCC1 ZINC000849080070 1335071404 /nfs/dbraw/zinc/07/14/04/1335071404.db2.gz OGUPBGYGULNPKE-QGZVFWFLSA-N 1 3 344.503 2.715 20 0 EFADHO CCOCC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849081654 1335071425 /nfs/dbraw/zinc/07/14/25/1335071425.db2.gz IEFXJOKOLASGGE-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1ccc(Cl)cc1 ZINC000849087629 1335072968 /nfs/dbraw/zinc/07/29/68/1335072968.db2.gz GLAZONIJHXRZLQ-CVEARBPZSA-N 1 3 338.883 2.626 20 0 EFADHO CSC(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849091466 1335074120 /nfs/dbraw/zinc/07/41/20/1335074120.db2.gz HKGKGMIQRODXPQ-UHFFFAOYSA-N 1 3 334.533 2.907 20 0 EFADHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CC[C@@H](C)C2)c1 ZINC000849097237 1335551429 /nfs/dbraw/zinc/55/14/29/1335551429.db2.gz IZIISAOVSRPBQP-CQSZACIVSA-N 1 3 334.464 2.762 20 0 EFADHO CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CC[C@H](C)C2)c1 ZINC000849097236 1335551452 /nfs/dbraw/zinc/55/14/52/1335551452.db2.gz IZIISAOVSRPBQP-AWEZNQCLSA-N 1 3 334.464 2.762 20 0 EFADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107328 1335553016 /nfs/dbraw/zinc/55/30/16/1335553016.db2.gz UCFFFRHPUXEOMU-NSHDSACASA-N 1 3 330.354 2.863 20 0 EFADHO [NH2+]=C(NCC1(C2CC2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849107964 1335553212 /nfs/dbraw/zinc/55/32/12/1335553212.db2.gz MIHRULLPRBCKLT-UHFFFAOYSA-N 1 3 326.488 2.955 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC001414063202 1335609267 /nfs/dbraw/zinc/60/92/67/1335609267.db2.gz JGYOPMOJBUPRHT-DYESRHJHSA-N 1 3 327.516 2.971 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001361646898 1336243592 /nfs/dbraw/zinc/24/35/92/1336243592.db2.gz HAGGSSJJKJPYGX-OAHLLOKOSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001361646898 1336243593 /nfs/dbraw/zinc/24/35/93/1336243593.db2.gz HAGGSSJJKJPYGX-OAHLLOKOSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC001361825437 1336361289 /nfs/dbraw/zinc/36/12/89/1336361289.db2.gz DOIFGKYUMOXWCS-OAHLLOKOSA-N 1 3 340.471 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001361825437 1336361292 /nfs/dbraw/zinc/36/12/92/1336361292.db2.gz DOIFGKYUMOXWCS-OAHLLOKOSA-N 1 3 340.471 2.951 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001361864926 1336384013 /nfs/dbraw/zinc/38/40/13/1336384013.db2.gz DTJDLRJTGKOMGP-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001361864926 1336384017 /nfs/dbraw/zinc/38/40/17/1336384017.db2.gz DTJDLRJTGKOMGP-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001361864926 1336384021 /nfs/dbraw/zinc/38/40/21/1336384021.db2.gz DTJDLRJTGKOMGP-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001361870406 1336387745 /nfs/dbraw/zinc/38/77/45/1336387745.db2.gz MHQVYVFCQZYXDU-UHFFFAOYSA-N 1 3 340.471 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC001362010970 1336463162 /nfs/dbraw/zinc/46/31/62/1336463162.db2.gz SUADIGIYRHCUBJ-KRWDZBQOSA-N 1 3 335.492 2.600 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC001362010970 1336463165 /nfs/dbraw/zinc/46/31/65/1336463165.db2.gz SUADIGIYRHCUBJ-KRWDZBQOSA-N 1 3 335.492 2.600 20 0 EFADHO O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1C[NH+](C2CCCCC2)C1 ZINC001362036240 1336474886 /nfs/dbraw/zinc/47/48/86/1336474886.db2.gz OBURGHBFASQZPR-IBGZPJMESA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001362539640 1336649868 /nfs/dbraw/zinc/64/98/68/1336649868.db2.gz GWOANXGXLZSHPC-MJGOQNOKSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001362539640 1336649871 /nfs/dbraw/zinc/64/98/71/1336649871.db2.gz GWOANXGXLZSHPC-MJGOQNOKSA-N 1 3 331.504 2.601 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C1 ZINC001362700269 1336709535 /nfs/dbraw/zinc/70/95/35/1336709535.db2.gz LFBWMPJZXJNHBX-SFHVURJKSA-N 1 3 343.515 2.840 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)C1 ZINC001362700269 1336709539 /nfs/dbraw/zinc/70/95/39/1336709539.db2.gz LFBWMPJZXJNHBX-SFHVURJKSA-N 1 3 343.515 2.840 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001362753807 1336728508 /nfs/dbraw/zinc/72/85/08/1336728508.db2.gz AVOQGRHTXPLGCR-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001362753807 1336728510 /nfs/dbraw/zinc/72/85/10/1336728510.db2.gz AVOQGRHTXPLGCR-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H](C)CN2CCCC2)CC1 ZINC001363350165 1336887822 /nfs/dbraw/zinc/88/78/22/1336887822.db2.gz AEEDUZWTTFYUGA-QGZVFWFLSA-N 1 3 343.515 2.921 20 0 EFADHO CCCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC001363364165 1336894098 /nfs/dbraw/zinc/89/40/98/1336894098.db2.gz ONQMWEFNDHRTBB-PMACEKPBSA-N 1 3 332.488 2.943 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001363758085 1337027944 /nfs/dbraw/zinc/02/79/44/1337027944.db2.gz WOVXJHDIKHOVKA-OALUTQOASA-N 1 3 329.488 2.710 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001363758085 1337027948 /nfs/dbraw/zinc/02/79/48/1337027948.db2.gz WOVXJHDIKHOVKA-OALUTQOASA-N 1 3 329.488 2.710 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CN3CCC2CC3)cc1 ZINC001363945589 1337124670 /nfs/dbraw/zinc/12/46/70/1337124670.db2.gz SDKFZTRNKJVBQS-VQIMIIECSA-N 1 3 332.488 2.574 20 0 EFADHO CC1CCN(CC[C@H]2CCC[N@@H+]2CC2(O)CCSCC2)CC1 ZINC001364484495 1337189182 /nfs/dbraw/zinc/18/91/82/1337189182.db2.gz FEHKKGQELUCENW-QGZVFWFLSA-N 1 3 326.550 2.831 20 0 EFADHO CC1CCN(CC[C@H]2CCC[N@H+]2CC2(O)CCSCC2)CC1 ZINC001364484495 1337189186 /nfs/dbraw/zinc/18/91/86/1337189186.db2.gz FEHKKGQELUCENW-QGZVFWFLSA-N 1 3 326.550 2.831 20 0 EFADHO CC1CC[NH+](CC[C@H]2CCCN2CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001365321741 1337221496 /nfs/dbraw/zinc/22/14/96/1337221496.db2.gz CRYPBURPHJJZQZ-HSALFYBXSA-N 1 3 337.552 2.682 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001365851995 1337257259 /nfs/dbraw/zinc/25/72/59/1337257259.db2.gz ZHCVMVQLHIURHK-ZQNRLITLSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001366015010 1337324160 /nfs/dbraw/zinc/32/41/60/1337324160.db2.gz SWRWZRGVCSXVBG-LJQANCHMSA-N 1 3 335.536 2.972 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366125311 1337389933 /nfs/dbraw/zinc/38/99/33/1337389933.db2.gz RWELUMZEQDZLTM-GUDVDZBRSA-N 1 3 331.504 2.572 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001366132740 1337393905 /nfs/dbraw/zinc/39/39/05/1337393905.db2.gz VHFUIEQAIURINW-FHWLQOOXSA-N 1 3 331.504 2.626 20 0 EFADHO CCc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366175352 1337416532 /nfs/dbraw/zinc/41/65/32/1337416532.db2.gz BSPBCKQTFAJYIG-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366175352 1337416536 /nfs/dbraw/zinc/41/65/36/1337416536.db2.gz BSPBCKQTFAJYIG-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366178326 1337419549 /nfs/dbraw/zinc/41/95/49/1337419549.db2.gz IYAMEJYQEFHYFJ-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366178326 1337419551 /nfs/dbraw/zinc/41/95/51/1337419551.db2.gz IYAMEJYQEFHYFJ-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366178992 1337420525 /nfs/dbraw/zinc/42/05/25/1337420525.db2.gz LAXORZLVUWQVOJ-PMACEKPBSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366178992 1337420526 /nfs/dbraw/zinc/42/05/26/1337420526.db2.gz LAXORZLVUWQVOJ-PMACEKPBSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001366226157 1337458973 /nfs/dbraw/zinc/45/89/73/1337458973.db2.gz LMVRXFZYKHSMRR-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001366226157 1337458978 /nfs/dbraw/zinc/45/89/78/1337458978.db2.gz LMVRXFZYKHSMRR-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001366274837 1337486307 /nfs/dbraw/zinc/48/63/07/1337486307.db2.gz HSLWVAOXUKZBSR-MRXNPFEDSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001366286493 1337491679 /nfs/dbraw/zinc/49/16/79/1337491679.db2.gz MCQCGZMDXXXYFL-HNNXBMFYSA-N 1 3 329.488 2.643 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001366331801 1337517547 /nfs/dbraw/zinc/51/75/47/1337517547.db2.gz IEOPZGDYAUGFTR-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001366347858 1337526279 /nfs/dbraw/zinc/52/62/79/1337526279.db2.gz RZIRQJTYMQXUKP-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001366439482 1337589144 /nfs/dbraw/zinc/58/91/44/1337589144.db2.gz TWMGVKASPHIDJE-MOPGFXCFSA-N 1 3 349.494 2.993 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001366468118 1337611298 /nfs/dbraw/zinc/61/12/98/1337611298.db2.gz CNDNLWSLFRJARU-MRXNPFEDSA-N 1 3 331.504 2.718 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001366480297 1337622002 /nfs/dbraw/zinc/62/20/02/1337622002.db2.gz BOBFBLYGXLJRLG-YPMHNXCESA-N 1 3 331.913 2.726 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001366488687 1337629827 /nfs/dbraw/zinc/62/98/27/1337629827.db2.gz PFMLXTANSIHLKP-CRAIPNDOSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001366491530 1337631799 /nfs/dbraw/zinc/63/17/99/1337631799.db2.gz XZAOCTCYYQEQKC-LRDDRELGSA-N 1 3 343.874 2.804 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001366494882 1337636184 /nfs/dbraw/zinc/63/61/84/1337636184.db2.gz BVQLVQOGRMRLKB-SJCJKPOMSA-N 1 3 344.434 2.572 20 0 EFADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccns1 ZINC001366515914 1337656449 /nfs/dbraw/zinc/65/64/49/1337656449.db2.gz ZZLAQHCYLOROJE-CQSZACIVSA-N 1 3 346.500 2.503 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001366559706 1337693936 /nfs/dbraw/zinc/69/39/36/1337693936.db2.gz UYSWWGVZNHVOBD-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001366559706 1337693939 /nfs/dbraw/zinc/69/39/39/1337693939.db2.gz UYSWWGVZNHVOBD-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)CCc1ccc2ccccc2c1)N(C)C ZINC001366563286 1337697517 /nfs/dbraw/zinc/69/75/17/1337697517.db2.gz KNQXVCMCKRGBMZ-FQEVSTJZSA-N 1 3 341.499 2.771 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)CCc1ccc2ccccc2c1)N(C)C ZINC001366563286 1337697518 /nfs/dbraw/zinc/69/75/18/1337697518.db2.gz KNQXVCMCKRGBMZ-FQEVSTJZSA-N 1 3 341.499 2.771 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001366572710 1337708967 /nfs/dbraw/zinc/70/89/67/1337708967.db2.gz ZOYGLJNKUNSAHX-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366596937 1337735222 /nfs/dbraw/zinc/73/52/22/1337735222.db2.gz PTKZJLPAGZEEAL-INIZCTEOSA-N 1 3 335.467 2.811 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc2c(c1)CCC2 ZINC001366614587 1337753382 /nfs/dbraw/zinc/75/33/82/1337753382.db2.gz BOXPIMOBEQFBSY-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc2c(c1)CCC2 ZINC001366614587 1337753386 /nfs/dbraw/zinc/75/33/86/1337753386.db2.gz BOXPIMOBEQFBSY-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cccc1C ZINC001366629035 1337771068 /nfs/dbraw/zinc/77/10/68/1337771068.db2.gz PERRNXWKNKHQQM-MRXNPFEDSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1c(C)cccc1C ZINC001366629035 1337771071 /nfs/dbraw/zinc/77/10/71/1337771071.db2.gz PERRNXWKNKHQQM-MRXNPFEDSA-N 1 3 331.504 2.583 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366702965 1337893907 /nfs/dbraw/zinc/89/39/07/1337893907.db2.gz FLBXLBKQGQJTGB-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366702965 1337893913 /nfs/dbraw/zinc/89/39/13/1337893913.db2.gz FLBXLBKQGQJTGB-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001366703428 1337894513 /nfs/dbraw/zinc/89/45/13/1337894513.db2.gz ZJKMKSYBJIUDEE-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001366703428 1337894518 /nfs/dbraw/zinc/89/45/18/1337894518.db2.gz ZJKMKSYBJIUDEE-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C ZINC001366721225 1337921579 /nfs/dbraw/zinc/92/15/79/1337921579.db2.gz NGPPMMKECMHBBR-KRWDZBQOSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1C ZINC001366721225 1337921582 /nfs/dbraw/zinc/92/15/82/1337921582.db2.gz NGPPMMKECMHBBR-KRWDZBQOSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC001366724714 1337927801 /nfs/dbraw/zinc/92/78/01/1337927801.db2.gz IEQFFJOBOTXUDM-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001366741829 1337951665 /nfs/dbraw/zinc/95/16/65/1337951665.db2.gz JKUKUGZUHSPQFO-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001366741829 1337951669 /nfs/dbraw/zinc/95/16/69/1337951669.db2.gz JKUKUGZUHSPQFO-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001366750094 1337964548 /nfs/dbraw/zinc/96/45/48/1337964548.db2.gz DGKYIWXTEAKPQK-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001366750094 1337964550 /nfs/dbraw/zinc/96/45/50/1337964550.db2.gz DGKYIWXTEAKPQK-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001366755999 1337973798 /nfs/dbraw/zinc/97/37/98/1337973798.db2.gz NHNKSWRCXLRXPM-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001366755999 1337973801 /nfs/dbraw/zinc/97/38/01/1337973801.db2.gz NHNKSWRCXLRXPM-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001366769669 1337990114 /nfs/dbraw/zinc/99/01/14/1337990114.db2.gz LQALOSVVUXALFM-SQWLQELKSA-N 1 3 337.895 2.789 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001366769669 1337990117 /nfs/dbraw/zinc/99/01/17/1337990117.db2.gz LQALOSVVUXALFM-SQWLQELKSA-N 1 3 337.895 2.789 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001366777495 1337996053 /nfs/dbraw/zinc/99/60/53/1337996053.db2.gz OQZVKEIYFUVEDE-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](C/C=C/Cl)C1)CC(C)(C)C ZINC001366847743 1338112669 /nfs/dbraw/zinc/11/26/69/1338112669.db2.gz SGZFJLKVTHYWHG-PXTSUWAFSA-N 1 3 329.916 2.545 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1)CC(C)(C)C ZINC001366847743 1338112673 /nfs/dbraw/zinc/11/26/73/1338112673.db2.gz SGZFJLKVTHYWHG-PXTSUWAFSA-N 1 3 329.916 2.545 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001366880183 1338157496 /nfs/dbraw/zinc/15/74/96/1338157496.db2.gz RNVXDUYEOVBUPJ-YXMGTMDOSA-N 1 3 347.906 2.589 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001366880183 1338157503 /nfs/dbraw/zinc/15/75/03/1338157503.db2.gz RNVXDUYEOVBUPJ-YXMGTMDOSA-N 1 3 347.906 2.589 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001366882051 1338159744 /nfs/dbraw/zinc/15/97/44/1338159744.db2.gz QZSRAXKVASPTIQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001366882051 1338159748 /nfs/dbraw/zinc/15/97/48/1338159748.db2.gz QZSRAXKVASPTIQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)C/C=C\Cl)CC2)CC1 ZINC001366881680 1338160274 /nfs/dbraw/zinc/16/02/74/1338160274.db2.gz SLRANLBVXMRRQM-BAQGIRSFSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)C/C=C\Cl)CC2)CC1 ZINC001366881680 1338160278 /nfs/dbraw/zinc/16/02/78/1338160278.db2.gz SLRANLBVXMRRQM-BAQGIRSFSA-N 1 3 341.927 2.641 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001366895398 1338178469 /nfs/dbraw/zinc/17/84/69/1338178469.db2.gz ZNIISCYXBQHVHO-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001366896034 1338179909 /nfs/dbraw/zinc/17/99/09/1338179909.db2.gz CDJVSWMRUZVBDZ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001366896034 1338179912 /nfs/dbraw/zinc/17/99/12/1338179912.db2.gz CDJVSWMRUZVBDZ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccccc1CCN1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001366897855 1338182200 /nfs/dbraw/zinc/18/22/00/1338182200.db2.gz LUSGQOSQFWYYRH-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccccc1CCN1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001366897855 1338182203 /nfs/dbraw/zinc/18/22/03/1338182203.db2.gz LUSGQOSQFWYYRH-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366900339 1338186227 /nfs/dbraw/zinc/18/62/27/1338186227.db2.gz CMFQQFBWNVLWCX-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001366975332 1338233674 /nfs/dbraw/zinc/23/36/74/1338233674.db2.gz AJOZVYCAZCLXIG-HKUYNNGSSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001367057959 1338326664 /nfs/dbraw/zinc/32/66/64/1338326664.db2.gz JGHQCVSCFRZDHQ-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001367084472 1338369745 /nfs/dbraw/zinc/36/97/45/1338369745.db2.gz ZDIODVQNDGALEQ-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC001367084472 1338369757 /nfs/dbraw/zinc/36/97/57/1338369757.db2.gz ZDIODVQNDGALEQ-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001367094085 1338379503 /nfs/dbraw/zinc/37/95/03/1338379503.db2.gz BUFSBHADSWXIRX-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CN(CC(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1)C1CCC1 ZINC001367172485 1338472471 /nfs/dbraw/zinc/47/24/71/1338472471.db2.gz SBZMHPGXDWORQS-HXUWFJFHSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H]1CCCC[C@]1(CNCc1ccccn1)NC(=O)CCC[NH+](C)C ZINC001367201315 1338508032 /nfs/dbraw/zinc/50/80/32/1338508032.db2.gz YIYXPYABDCIQFP-FXAWDEMLSA-N 1 3 346.519 2.578 20 0 EFADHO C[C@@H]1CCCC[C@]1(CNCc1ccccn1)NC(=O)CCC[NH+](C)C ZINC001367201320 1338508454 /nfs/dbraw/zinc/50/84/54/1338508454.db2.gz YIYXPYABDCIQFP-YLJYHZDGSA-N 1 3 346.519 2.578 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001367214057 1338524124 /nfs/dbraw/zinc/52/41/24/1338524124.db2.gz MFISINUMEXYRMF-FQEVSTJZSA-N 1 3 345.531 2.991 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001367225173 1338533520 /nfs/dbraw/zinc/53/35/20/1338533520.db2.gz VLKCIRJUQPIFEJ-QZTJIDSGSA-N 1 3 326.444 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001367260578 1338560448 /nfs/dbraw/zinc/56/04/48/1338560448.db2.gz MBEPJZQJSWEBST-DNVCBOLYSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001367285220 1338584747 /nfs/dbraw/zinc/58/47/47/1338584747.db2.gz GKTVYWNVDDBJDL-DNVCBOLYSA-N 1 3 333.520 2.794 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001367292252 1338591280 /nfs/dbraw/zinc/59/12/80/1338591280.db2.gz XQBZQBURTCGMII-CRAIPNDOSA-N 1 3 335.467 2.542 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001367292254 1338591577 /nfs/dbraw/zinc/59/15/77/1338591577.db2.gz XQBZQBURTCGMII-QAPCUYQASA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CCCC1)N(C)C ZINC001367323853 1338621652 /nfs/dbraw/zinc/62/16/52/1338621652.db2.gz OTHNTQPZKOJAHR-IBGZPJMESA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCCC1)N(C)C ZINC001367325349 1338624223 /nfs/dbraw/zinc/62/42/23/1338624223.db2.gz WMASLQVGZLECGK-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(OC)cc2)CCCC1)N(C)C ZINC001367325967 1338625053 /nfs/dbraw/zinc/62/50/53/1338625053.db2.gz YXVHQDIIWVHNGV-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001367380893 1338676018 /nfs/dbraw/zinc/67/60/18/1338676018.db2.gz HZMONDHYCGKLID-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001367392878 1338688962 /nfs/dbraw/zinc/68/89/62/1338688962.db2.gz DBTKWCNQJNVLTO-SFHVURJKSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367400164 1338697705 /nfs/dbraw/zinc/69/77/05/1338697705.db2.gz MDKJVJQFWFUMJO-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO CCCC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001367436445 1338739111 /nfs/dbraw/zinc/73/91/11/1338739111.db2.gz IQZVXHGMDVLWRI-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001367436445 1338739112 /nfs/dbraw/zinc/73/91/12/1338739112.db2.gz IQZVXHGMDVLWRI-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001367453134 1338755369 /nfs/dbraw/zinc/75/53/69/1338755369.db2.gz QTTRBVQRFZCVJA-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)sc1C)C(C)C)N(C)C ZINC001367495304 1338794583 /nfs/dbraw/zinc/79/45/83/1338794583.db2.gz SPOHZRRSMWNODG-SJORKVTESA-N 1 3 339.549 2.936 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001367475665 1338775431 /nfs/dbraw/zinc/77/54/31/1338775431.db2.gz VBCFRXXXSIASIS-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC001367482919 1338782578 /nfs/dbraw/zinc/78/25/78/1338782578.db2.gz MZKRWWPYANLCAU-LJQANCHMSA-N 1 3 342.487 2.808 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1C ZINC001367513075 1338811876 /nfs/dbraw/zinc/81/18/76/1338811876.db2.gz BBOHKTVYZCVQAP-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1C ZINC001367513075 1338811880 /nfs/dbraw/zinc/81/18/80/1338811880.db2.gz BBOHKTVYZCVQAP-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001367517347 1338816327 /nfs/dbraw/zinc/81/63/27/1338816327.db2.gz IWOOTURNRAHTDV-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCCCCC1)N(C)C ZINC001367523090 1338823145 /nfs/dbraw/zinc/82/31/45/1338823145.db2.gz OLIDTJIYEVENBW-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001367523090 1338823147 /nfs/dbraw/zinc/82/31/47/1338823147.db2.gz OLIDTJIYEVENBW-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367545125 1338851918 /nfs/dbraw/zinc/85/19/18/1338851918.db2.gz AYXWLBNCEVIXLJ-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367545125 1338851920 /nfs/dbraw/zinc/85/19/20/1338851920.db2.gz AYXWLBNCEVIXLJ-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001367555220 1338867489 /nfs/dbraw/zinc/86/74/89/1338867489.db2.gz LYMKKLAGCFQKCG-RDJZCZTQSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]21 ZINC001367555220 1338867493 /nfs/dbraw/zinc/86/74/93/1338867493.db2.gz LYMKKLAGCFQKCG-RDJZCZTQSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001367555218 1338867796 /nfs/dbraw/zinc/86/77/96/1338867796.db2.gz LYMKKLAGCFQKCG-NVXWUHKLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001367555218 1338867799 /nfs/dbraw/zinc/86/77/99/1338867799.db2.gz LYMKKLAGCFQKCG-NVXWUHKLSA-N 1 3 332.492 2.701 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001367560544 1338872105 /nfs/dbraw/zinc/87/21/05/1338872105.db2.gz JHVLFQONKYQGGX-QFBILLFUSA-N 1 3 347.478 2.685 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001367560539 1338872334 /nfs/dbraw/zinc/87/23/34/1338872334.db2.gz JHVLFQONKYQGGX-LPHOPBHVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001367648189 1338903515 /nfs/dbraw/zinc/90/35/15/1338903515.db2.gz OKCWNXISSWOZGG-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C1CC[NH+](C)CC1 ZINC001367650625 1338905337 /nfs/dbraw/zinc/90/53/37/1338905337.db2.gz XNTUZMHAOKPTQF-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C ZINC001367688257 1338930052 /nfs/dbraw/zinc/93/00/52/1338930052.db2.gz FOBQXBYTYNUDLV-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367691125 1338931617 /nfs/dbraw/zinc/93/16/17/1338931617.db2.gz KIVIISZJRMYKAU-ZIAGYGMSSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001367691777 1338932220 /nfs/dbraw/zinc/93/22/20/1338932220.db2.gz GTDOPUBEQNVCCX-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367691946 1338932371 /nfs/dbraw/zinc/93/23/71/1338932371.db2.gz HZZSLKROTIGKMW-VQIMIIECSA-N 1 3 333.520 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1cccc(Cl)c1F)[NH+](C)C ZINC001367739197 1338968965 /nfs/dbraw/zinc/96/89/65/1338968965.db2.gz UALBRPBSIKZAAL-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367766879 1338992476 /nfs/dbraw/zinc/99/24/76/1338992476.db2.gz VISHINLWTVHEKV-WMLDXEAASA-N 1 3 339.911 2.829 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001367849879 1339065975 /nfs/dbraw/zinc/06/59/75/1339065975.db2.gz YMQAEAFILNKJDP-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001367849879 1339065977 /nfs/dbraw/zinc/06/59/77/1339065977.db2.gz YMQAEAFILNKJDP-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c(C)c1 ZINC001367995428 1339149637 /nfs/dbraw/zinc/14/96/37/1339149637.db2.gz CLQDBEICVVMBQU-LJQANCHMSA-N 1 3 343.515 2.915 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001368135027 1339210726 /nfs/dbraw/zinc/21/07/26/1339210726.db2.gz IXAALYGVKSWMTA-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCC1)N(C)C ZINC001368141183 1339214898 /nfs/dbraw/zinc/21/48/98/1339214898.db2.gz BUIKOKUYUQEFOQ-OALUTQOASA-N 1 3 331.504 2.791 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001368155727 1339224335 /nfs/dbraw/zinc/22/43/35/1339224335.db2.gz AEWIGAYKSNEYLQ-QUCCMNQESA-N 1 3 347.478 2.735 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001368162803 1339228150 /nfs/dbraw/zinc/22/81/50/1339228150.db2.gz OHPDWMIRBZYRBZ-LJQANCHMSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@]1(NC(=O)CCC[NH+]2CCCC2)CCN(Cc2ccccc2)C1 ZINC001368166076 1339230714 /nfs/dbraw/zinc/23/07/14/1339230714.db2.gz BHFOSWPINFRQRU-FQEVSTJZSA-N 1 3 329.488 2.643 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368199811 1339250921 /nfs/dbraw/zinc/25/09/21/1339250921.db2.gz UKRWLBZDHVDNPJ-UZLBHIALSA-N 1 3 340.471 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(CC)cc2)C1 ZINC001368331472 1339301711 /nfs/dbraw/zinc/30/17/11/1339301711.db2.gz BFYDKFBBMUDJQF-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001368333795 1339302721 /nfs/dbraw/zinc/30/27/21/1339302721.db2.gz DXDWKPCBCCRWCD-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001368428619 1339363838 /nfs/dbraw/zinc/36/38/38/1339363838.db2.gz YXHRVMOPKUWEQD-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001368450852 1339386227 /nfs/dbraw/zinc/38/62/27/1339386227.db2.gz KXUHCOCKPCJEIT-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3Cl)C2)CCC1 ZINC001368480754 1339417358 /nfs/dbraw/zinc/41/73/58/1339417358.db2.gz RISINKOFMMLWDN-FZNQNYSPSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCC1)N(C)C ZINC001368481934 1339418562 /nfs/dbraw/zinc/41/85/62/1339418562.db2.gz BFOQMWRNOPAISL-RXNMKEHESA-N 1 3 329.488 2.669 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)CC(C)(C)C ZINC001368482046 1339419275 /nfs/dbraw/zinc/41/92/75/1339419275.db2.gz BAYFGOYPSGBLCC-UHFFFAOYSA-N 1 3 337.430 2.545 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001368508273 1339443816 /nfs/dbraw/zinc/44/38/16/1339443816.db2.gz ABXFGZSGBWWSLE-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001368508273 1339443817 /nfs/dbraw/zinc/44/38/17/1339443817.db2.gz ABXFGZSGBWWSLE-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559649 1339503534 /nfs/dbraw/zinc/50/35/34/1339503534.db2.gz LOPMNVFKWCJHON-DLBZAZTESA-N 1 3 334.508 2.949 20 0 EFADHO C[C@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559649 1339503536 /nfs/dbraw/zinc/50/35/36/1339503536.db2.gz LOPMNVFKWCJHON-DLBZAZTESA-N 1 3 334.508 2.949 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001368568945 1339517897 /nfs/dbraw/zinc/51/78/97/1339517897.db2.gz KOOIYQMXCRIWGI-YRGRVCCFSA-N 1 3 343.924 2.726 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001368573349 1339523141 /nfs/dbraw/zinc/52/31/41/1339523141.db2.gz VKAZAYGBDQAQSY-YRGRVCCFSA-N 1 3 343.924 2.726 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001368607029 1339546497 /nfs/dbraw/zinc/54/64/97/1339546497.db2.gz NKPXFQLTBJGQCS-VDGAXYAQSA-N 1 3 345.531 2.820 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001368710488 1339630135 /nfs/dbraw/zinc/63/01/35/1339630135.db2.gz SCOGZFLUPHGRJQ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001368710488 1339630139 /nfs/dbraw/zinc/63/01/39/1339630139.db2.gz SCOGZFLUPHGRJQ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001368736093 1339656901 /nfs/dbraw/zinc/65/69/01/1339656901.db2.gz HKMQBGBQHCGMSU-YJBOKZPZSA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001368738132 1339659353 /nfs/dbraw/zinc/65/93/53/1339659353.db2.gz WFKINSDMBCGRDW-WFASDCNBSA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001368897062 1339837144 /nfs/dbraw/zinc/83/71/44/1339837144.db2.gz GYCMKKKFMYBGDP-GPANFISMSA-N 1 3 345.478 2.731 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC001368897046 1339837326 /nfs/dbraw/zinc/83/73/26/1339837326.db2.gz GXBSXCBIXMIGLY-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2ncccc2C)CC1)N(C)C ZINC001368902263 1339842934 /nfs/dbraw/zinc/84/29/34/1339842934.db2.gz SIZCNYDBGCYDBG-TVPLGVNVSA-N 1 3 346.519 2.589 20 0 EFADHO Cc1ccncc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001368924591 1339870609 /nfs/dbraw/zinc/87/06/09/1339870609.db2.gz RQGMBJFWXPJJGI-GOSISDBHSA-N 1 3 348.535 2.550 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001369088539 1339907788 /nfs/dbraw/zinc/90/77/88/1339907788.db2.gz NCHRDXZGNDBPFU-OXQOHEQNSA-N 1 3 345.531 2.772 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369097946 1339913195 /nfs/dbraw/zinc/91/31/95/1339913195.db2.gz ZSAJLYXAHJYJFE-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001370266120 1339996514 /nfs/dbraw/zinc/99/65/14/1339996514.db2.gz QEWZZAYZSJFDBJ-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001370776554 1340205370 /nfs/dbraw/zinc/20/53/70/1340205370.db2.gz AJXXIUYLHQBYEO-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001370776554 1340205371 /nfs/dbraw/zinc/20/53/71/1340205371.db2.gz AJXXIUYLHQBYEO-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC001370779651 1340205848 /nfs/dbraw/zinc/20/58/48/1340205848.db2.gz IOIZUHLZFMFCND-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001370779651 1340205851 /nfs/dbraw/zinc/20/58/51/1340205851.db2.gz IOIZUHLZFMFCND-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001370779375 1340206216 /nfs/dbraw/zinc/20/62/16/1340206216.db2.gz HCRQGFQTHKVFJA-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001370779375 1340206218 /nfs/dbraw/zinc/20/62/18/1340206218.db2.gz HCRQGFQTHKVFJA-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001370782957 1340208305 /nfs/dbraw/zinc/20/83/05/1340208305.db2.gz ZYRFEXHRWDXJJH-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001370782957 1340208308 /nfs/dbraw/zinc/20/83/08/1340208308.db2.gz ZYRFEXHRWDXJJH-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)c1ccccc1Cl ZINC001371342558 1340511159 /nfs/dbraw/zinc/51/11/59/1340511159.db2.gz GIVHCXFKOVQPHT-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001371433495 1340587972 /nfs/dbraw/zinc/58/79/72/1340587972.db2.gz VAFIIKBLRLEXST-YOEHRIQHSA-N 1 3 339.911 2.563 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001371433981 1340588697 /nfs/dbraw/zinc/58/86/97/1340588697.db2.gz WKFKJURDKWPFAF-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001371627750 1340683922 /nfs/dbraw/zinc/68/39/22/1340683922.db2.gz XTJITMPWIKPCJU-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001371870414 1340731790 /nfs/dbraw/zinc/73/17/90/1340731790.db2.gz SEBSBDDOOJJARY-AAEUAGOBSA-N 1 3 331.913 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001373288909 1340977443 /nfs/dbraw/zinc/97/74/43/1340977443.db2.gz BVXAJPUZRZGGEA-SJORKVTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001373288909 1340977445 /nfs/dbraw/zinc/97/74/45/1340977445.db2.gz BVXAJPUZRZGGEA-SJORKVTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001373306177 1340983940 /nfs/dbraw/zinc/98/39/40/1340983940.db2.gz XXCHDJPSMFPMOU-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001373306177 1340983941 /nfs/dbraw/zinc/98/39/41/1340983941.db2.gz XXCHDJPSMFPMOU-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN([C@H]2CCc3c2cccc3F)C1 ZINC001373680120 1341097377 /nfs/dbraw/zinc/09/73/77/1341097377.db2.gz NEBCWESXZCYHST-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001373696339 1341106341 /nfs/dbraw/zinc/10/63/41/1341106341.db2.gz NTQOFNIGHRMBGD-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001373759814 1341137440 /nfs/dbraw/zinc/13/74/40/1341137440.db2.gz RYVHOAHPZVUSLM-LJQANCHMSA-N 1 3 343.515 2.644 20 0 EFADHO CC1CC(C[NH2+]C[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001373887811 1341189212 /nfs/dbraw/zinc/18/92/12/1341189212.db2.gz CFZNFNLIOFANCG-ALLBUHFWSA-N 1 3 337.552 2.885 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001373914990 1341201615 /nfs/dbraw/zinc/20/16/15/1341201615.db2.gz LSXRGXQBZZIVHV-KZNAEPCWSA-N 1 3 335.467 2.683 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001373970909 1341265363 /nfs/dbraw/zinc/26/53/63/1341265363.db2.gz KKFBLFPXLSCVQM-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374017654 1341305762 /nfs/dbraw/zinc/30/57/62/1341305762.db2.gz WWFDQFIUTQKCOJ-YJBOKZPZSA-N 1 3 335.467 2.540 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001374032496 1341321896 /nfs/dbraw/zinc/32/18/96/1341321896.db2.gz ZBJSXWKKCGMXLD-INIZCTEOSA-N 1 3 331.504 2.575 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374102314 1341406784 /nfs/dbraw/zinc/40/67/84/1341406784.db2.gz ZCFXWRLRKIFZRB-CJNGLKHVSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001374156560 1341471905 /nfs/dbraw/zinc/47/19/05/1341471905.db2.gz CYQXQCAWCZTUTP-ABHNRTSZSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374204212 1341552505 /nfs/dbraw/zinc/55/25/05/1341552505.db2.gz CRMXPMZBIAHHCV-QFBILLFUSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)CN(C)C1CCC1 ZINC001374236011 1341589537 /nfs/dbraw/zinc/58/95/37/1341589537.db2.gz VYWKUHZTCWBNJX-LBPRGKRZSA-N 1 3 343.924 2.822 20 0 EFADHO COc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)ccc1C ZINC001374240893 1341595486 /nfs/dbraw/zinc/59/54/86/1341595486.db2.gz FEJKRBBYASFTTN-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374245149 1341602025 /nfs/dbraw/zinc/60/20/25/1341602025.db2.gz PDYNATHSQSKGKO-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303212 1341686409 /nfs/dbraw/zinc/68/64/09/1341686409.db2.gz IAAIAULXLSVWPM-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303209 1341686868 /nfs/dbraw/zinc/68/68/68/1341686868.db2.gz IAAIAULXLSVWPM-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNCc1ccccc1F ZINC001374399656 1341861403 /nfs/dbraw/zinc/86/14/03/1341861403.db2.gz XXPOEBXYZBBXQL-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)C[C@H](C)CC(C)C ZINC001392334940 1356002632 /nfs/dbraw/zinc/00/26/32/1356002632.db2.gz WJODMSKNHFMYBH-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](C)CC(C)C ZINC001392334940 1356002637 /nfs/dbraw/zinc/00/26/37/1356002637.db2.gz WJODMSKNHFMYBH-QZTJIDSGSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001374431559 1341913945 /nfs/dbraw/zinc/91/39/45/1341913945.db2.gz MVVPSBFAWGURSK-YJBOKZPZSA-N 1 3 349.494 2.959 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(F)ccc1C)C(C)C)N(C)C ZINC001374438224 1341921375 /nfs/dbraw/zinc/92/13/75/1341921375.db2.gz WDKAZWLVPHIIGX-ROUUACIJSA-N 1 3 337.483 2.705 20 0 EFADHO C[C@@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392694907 1356248843 /nfs/dbraw/zinc/24/88/43/1356248843.db2.gz ORARSUKJHJCRIH-KSSFIOAISA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392694895 1356249146 /nfs/dbraw/zinc/24/91/46/1356249146.db2.gz ORARSUKJHJCRIH-KBXCAEBGSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)cs1 ZINC001374570392 1342083141 /nfs/dbraw/zinc/08/31/41/1342083141.db2.gz LIWMNQXJWVUFRU-WMZOPIPTSA-N 1 3 349.544 2.915 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2CNC/C(Cl)=C\Cl)CC1 ZINC001374575166 1342085414 /nfs/dbraw/zinc/08/54/14/1342085414.db2.gz RZQIWPCVRRPCHH-VEWWLGSESA-N 1 3 348.318 2.522 20 0 EFADHO COc1cccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001374756368 1342154509 /nfs/dbraw/zinc/15/45/09/1342154509.db2.gz OYZQWKNJPQPXTR-MRXNPFEDSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)CN(C)C1CCC1 ZINC001374770229 1342161106 /nfs/dbraw/zinc/16/11/06/1342161106.db2.gz HKJOCWIOKBZFPQ-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001374812260 1342185130 /nfs/dbraw/zinc/18/51/30/1342185130.db2.gz XWECZJFFLMOEJF-CZUORRHYSA-N 1 3 341.446 2.805 20 0 EFADHO C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052748 1342354195 /nfs/dbraw/zinc/35/41/95/1342354195.db2.gz DJIRATXZFLAJPO-YRYLYKBFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052748 1342354196 /nfs/dbraw/zinc/35/41/96/1342354196.db2.gz DJIRATXZFLAJPO-YRYLYKBFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001375107449 1342417650 /nfs/dbraw/zinc/41/76/50/1342417650.db2.gz ZIYFPOFCQMGOLL-HNNXBMFYSA-N 1 3 339.549 2.705 20 0 EFADHO C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001375107449 1342417651 /nfs/dbraw/zinc/41/76/51/1342417651.db2.gz ZIYFPOFCQMGOLL-HNNXBMFYSA-N 1 3 339.549 2.705 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN(C)Cc2cccc(F)c2)CC1 ZINC001375129997 1342442081 /nfs/dbraw/zinc/44/20/81/1342442081.db2.gz XCLXZALCDVLGSN-MRXNPFEDSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001375265389 1342570864 /nfs/dbraw/zinc/57/08/64/1342570864.db2.gz ATZGJLXJAVEJRV-UXHICEINSA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1CCC1 ZINC001375293102 1342600279 /nfs/dbraw/zinc/60/02/79/1342600279.db2.gz ZOVHISBCASPELM-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001375293107 1342600586 /nfs/dbraw/zinc/60/05/86/1342600586.db2.gz ZOVHISBCASPELM-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001375478577 1342786371 /nfs/dbraw/zinc/78/63/71/1342786371.db2.gz NEIFENAPZIFPMH-GOSISDBHSA-N 1 3 331.504 2.628 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001375513642 1342821659 /nfs/dbraw/zinc/82/16/59/1342821659.db2.gz QFYQKIOPPRHULO-ABSDTBQOSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001375540413 1342851923 /nfs/dbraw/zinc/85/19/23/1342851923.db2.gz CXNBZRRKNSMTFM-QXCFHYIPSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001375552306 1342866483 /nfs/dbraw/zinc/86/64/83/1342866483.db2.gz XPSYNZNEHSQLPZ-FPXQBCRKSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001375552334 1342866698 /nfs/dbraw/zinc/86/66/98/1342866698.db2.gz XPSYNZNEHSQLPZ-YKTARERQSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001375576968 1342896234 /nfs/dbraw/zinc/89/62/34/1342896234.db2.gz RFGKMVZXRJNUSM-MGPQQGTHSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001375576968 1342896240 /nfs/dbraw/zinc/89/62/40/1342896240.db2.gz RFGKMVZXRJNUSM-MGPQQGTHSA-N 1 3 348.318 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1)N(C)C ZINC001375599132 1342917923 /nfs/dbraw/zinc/91/79/23/1342917923.db2.gz UNFAMDNESSRKQB-OCKNTNFFSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C/C=C\Cl)CC2CC2)CC1)N(C)C ZINC001375599132 1342917930 /nfs/dbraw/zinc/91/79/30/1342917930.db2.gz UNFAMDNESSRKQB-OCKNTNFFSA-N 1 3 341.927 2.782 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001375699766 1342940655 /nfs/dbraw/zinc/94/06/55/1342940655.db2.gz IJTYRNRJKSTJBR-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001375699766 1342940659 /nfs/dbraw/zinc/94/06/59/1342940659.db2.gz IJTYRNRJKSTJBR-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(C)c(OC)n2)CC1 ZINC001414121390 1343027303 /nfs/dbraw/zinc/02/73/03/1343027303.db2.gz SMBOHLIEQBCLNP-UHFFFAOYSA-N 1 3 349.519 2.969 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(C)c(OC)n2)CC1 ZINC001414121390 1343027309 /nfs/dbraw/zinc/02/73/09/1343027309.db2.gz SMBOHLIEQBCLNP-UHFFFAOYSA-N 1 3 349.519 2.969 20 0 EFADHO Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001375874988 1343121289 /nfs/dbraw/zinc/12/12/89/1343121289.db2.gz LPAVKLAQULEZSN-NRFANRHFSA-N 1 3 343.515 2.808 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001375953945 1343208329 /nfs/dbraw/zinc/20/83/29/1343208329.db2.gz XEQSYOIMHYFPSR-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001376012898 1343258924 /nfs/dbraw/zinc/25/89/24/1343258924.db2.gz HNPXKDMZPHBOAP-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001376012912 1343259367 /nfs/dbraw/zinc/25/93/67/1343259367.db2.gz HNPXKDMZPHBOAP-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@H](C)CC(C)C)CC2 ZINC001376174835 1343375148 /nfs/dbraw/zinc/37/51/48/1343375148.db2.gz CQNCNTDBYWRUHT-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]C/C=C/c2ccccc2)C2CC2)CCC1 ZINC001376217482 1343405878 /nfs/dbraw/zinc/40/58/78/1343405878.db2.gz PQSCZRUMPKGSIP-ZAOIQFLMSA-N 1 3 341.499 2.669 20 0 EFADHO C[C@H](N[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001376245880 1343424147 /nfs/dbraw/zinc/42/41/47/1343424147.db2.gz VTFMXVZUCSLPGV-LIRRHRJNSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001376259773 1343434569 /nfs/dbraw/zinc/43/45/69/1343434569.db2.gz UWPKRDOAFXQQSC-IAGOWNOFSA-N 1 3 337.533 2.627 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001376259772 1343434660 /nfs/dbraw/zinc/43/46/60/1343434660.db2.gz UWPKRDOAFXQQSC-DLBZAZTESA-N 1 3 337.533 2.627 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC001376273106 1343444499 /nfs/dbraw/zinc/44/44/99/1343444499.db2.gz HNSWDFABPYBSTP-LJQANCHMSA-N 1 3 329.488 2.646 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001376277420 1343446601 /nfs/dbraw/zinc/44/66/01/1343446601.db2.gz CMNSVWDMFYGOOU-KRWDZBQOSA-N 1 3 341.515 2.638 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(F)(F)CC3)C2)CCC1 ZINC001376365421 1343517756 /nfs/dbraw/zinc/51/77/56/1343517756.db2.gz INVOCXIJWAMIAJ-SHTZXODSSA-N 1 3 343.462 2.533 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001376404677 1343559932 /nfs/dbraw/zinc/55/99/32/1343559932.db2.gz WKUGKNNQGKTROC-XSWJXKHESA-N 1 3 335.467 2.710 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001376404683 1343560045 /nfs/dbraw/zinc/56/00/45/1343560045.db2.gz WKUGKNNQGKTROC-YRBFXIGRSA-N 1 3 335.467 2.710 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C(C)C)(c2ccccc2)CC1)N(C)C ZINC001393765941 1357137729 /nfs/dbraw/zinc/13/77/29/1357137729.db2.gz JVHZHOIQRYZBAF-LJQANCHMSA-N 1 3 345.531 2.885 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001376556769 1343672931 /nfs/dbraw/zinc/67/29/31/1343672931.db2.gz KYDJQCFYYFWFEF-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001376560949 1343677389 /nfs/dbraw/zinc/67/73/89/1343677389.db2.gz UDNMNGPJUTVSKC-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001376726497 1343785786 /nfs/dbraw/zinc/78/57/86/1343785786.db2.gz QHZGPOFFGSZORS-MRXNPFEDSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)c1 ZINC001376736308 1343793136 /nfs/dbraw/zinc/79/31/36/1343793136.db2.gz GMCQOCZNXHOGHW-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001376738656 1343794625 /nfs/dbraw/zinc/79/46/25/1343794625.db2.gz IZXIQQYFWBONLM-BEFAXECRSA-N 1 3 329.488 2.643 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2c(C)cccc2C)CCC1)N(C)C ZINC001376784406 1343835785 /nfs/dbraw/zinc/83/57/85/1343835785.db2.gz MGIMTDAQVOVBOO-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001376799375 1343849059 /nfs/dbraw/zinc/84/90/59/1343849059.db2.gz JARANJPRRRZZPG-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc3c(c2)CCC3)CCC1)N(C)C ZINC001376808149 1343858550 /nfs/dbraw/zinc/85/85/50/1343858550.db2.gz GRVLTELMXFFZGL-LJQANCHMSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001393784731 1357152911 /nfs/dbraw/zinc/15/29/11/1357152911.db2.gz KJXXKOLIDAJDHE-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001393784731 1357152914 /nfs/dbraw/zinc/15/29/14/1357152914.db2.gz KJXXKOLIDAJDHE-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001393784737 1357153362 /nfs/dbraw/zinc/15/33/62/1357153362.db2.gz KJXXKOLIDAJDHE-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001393784737 1357153368 /nfs/dbraw/zinc/15/33/68/1357153368.db2.gz KJXXKOLIDAJDHE-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001376851598 1343892144 /nfs/dbraw/zinc/89/21/44/1343892144.db2.gz UOWPSVFTQHAQAG-WMLDXEAASA-N 1 3 339.911 2.829 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001376851589 1343892217 /nfs/dbraw/zinc/89/22/17/1343892217.db2.gz UOWPSVFTQHAQAG-PBHICJAKSA-N 1 3 339.911 2.829 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001376964166 1343992772 /nfs/dbraw/zinc/99/27/72/1343992772.db2.gz CHSDVDFVUUOORE-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001376967992 1343996587 /nfs/dbraw/zinc/99/65/87/1343996587.db2.gz VEEISZHBSDNAAV-RBUKOAKNSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccncc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001377029654 1344075752 /nfs/dbraw/zinc/07/57/52/1344075752.db2.gz RAJCBUMMXIOBGL-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001377034266 1344079962 /nfs/dbraw/zinc/07/99/62/1344079962.db2.gz SZINLPRYHDZBTP-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001377034266 1344079965 /nfs/dbraw/zinc/07/99/65/1344079965.db2.gz SZINLPRYHDZBTP-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001377034265 1344080076 /nfs/dbraw/zinc/08/00/76/1344080076.db2.gz SZINLPRYHDZBTP-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC001377034265 1344080079 /nfs/dbraw/zinc/08/00/79/1344080079.db2.gz SZINLPRYHDZBTP-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001377564430 1344173096 /nfs/dbraw/zinc/17/30/96/1344173096.db2.gz JKUKUGZUHSPQFO-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001377564430 1344173099 /nfs/dbraw/zinc/17/30/99/1344173099.db2.gz JKUKUGZUHSPQFO-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001377592444 1344198871 /nfs/dbraw/zinc/19/88/71/1344198871.db2.gz NXPLZZAOTAQHMB-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001377612632 1344220282 /nfs/dbraw/zinc/22/02/82/1344220282.db2.gz RGKBGOVHCWHNPC-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001377720570 1344367700 /nfs/dbraw/zinc/36/77/00/1344367700.db2.gz QRRLCUZQEWDUHA-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001377720570 1344367707 /nfs/dbraw/zinc/36/77/07/1344367707.db2.gz QRRLCUZQEWDUHA-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001377756334 1344403387 /nfs/dbraw/zinc/40/33/87/1344403387.db2.gz BSSIYRXRXLOVDZ-SKHCZCESSA-N 1 3 341.927 2.785 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(C)cccc2C)C1 ZINC001377757676 1344404285 /nfs/dbraw/zinc/40/42/85/1344404285.db2.gz HYBDDDXRVVFRJZ-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001377757676 1344404292 /nfs/dbraw/zinc/40/42/92/1344404292.db2.gz HYBDDDXRVVFRJZ-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001377792537 1344446473 /nfs/dbraw/zinc/44/64/73/1344446473.db2.gz UJNSLCNEICPGBL-IVEQORNPSA-N 1 3 341.927 2.784 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001377792537 1344446475 /nfs/dbraw/zinc/44/64/75/1344446475.db2.gz UJNSLCNEICPGBL-IVEQORNPSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001377833402 1344489466 /nfs/dbraw/zinc/48/94/66/1344489466.db2.gz PJXRTYKWQTWPKN-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001393824820 1357188596 /nfs/dbraw/zinc/18/85/96/1357188596.db2.gz PNCKGHGJYJHXSY-BBRMVZONSA-N 1 3 325.884 2.665 20 0 EFADHO CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001393829111 1357192114 /nfs/dbraw/zinc/19/21/14/1357192114.db2.gz QGHNIFNOBRSCHO-WMLDXEAASA-N 1 3 328.460 2.896 20 0 EFADHO CN(CC(C)(C)C[NH2+]Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001377949670 1344610021 /nfs/dbraw/zinc/61/00/21/1344610021.db2.gz RJAZMUZHJAPDFX-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001377977811 1344631858 /nfs/dbraw/zinc/63/18/58/1344631858.db2.gz UUECHKQRGXVLAE-MEJUDOHFSA-N 1 3 343.515 2.724 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001393834769 1357197695 /nfs/dbraw/zinc/19/76/95/1357197695.db2.gz CXWBHEKNXPWQNO-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378184161 1344857522 /nfs/dbraw/zinc/85/75/22/1344857522.db2.gz MTPBJHPINNFSND-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378184161 1344857525 /nfs/dbraw/zinc/85/75/25/1344857525.db2.gz MTPBJHPINNFSND-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccccc1Cl ZINC001378304739 1344971203 /nfs/dbraw/zinc/97/12/03/1344971203.db2.gz RXFUJCNSXCLSFK-DOTOQJQBSA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccccc2F)CCCC1)N(C)C ZINC001378361082 1345011354 /nfs/dbraw/zinc/01/13/54/1345011354.db2.gz BIYDJUNQTVGDAD-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001378457217 1345092367 /nfs/dbraw/zinc/09/23/67/1345092367.db2.gz WWGWJJGYDBPNTE-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001378457212 1345092567 /nfs/dbraw/zinc/09/25/67/1345092567.db2.gz WWGWJJGYDBPNTE-FHWLQOOXSA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC(C)C1)N(C)C ZINC001393866278 1357225984 /nfs/dbraw/zinc/22/59/84/1357225984.db2.gz AATROEFVPNPNMD-BURCVLKOSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC1CCC(F)(F)CC1 ZINC001378574731 1345172433 /nfs/dbraw/zinc/17/24/33/1345172433.db2.gz UURRJMUZJFTCEW-CQSZACIVSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001378580301 1345175875 /nfs/dbraw/zinc/17/58/75/1345175875.db2.gz OCQALFASHCSSAX-PBHICJAKSA-N 1 3 339.911 2.768 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001378582719 1345178893 /nfs/dbraw/zinc/17/88/93/1345178893.db2.gz VAOYOPWVVXYMTK-CZUORRHYSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001378586478 1345181364 /nfs/dbraw/zinc/18/13/64/1345181364.db2.gz ZPNNEKUJRBGUCE-WMZOPIPTSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1)N(C)C ZINC001393868540 1357228720 /nfs/dbraw/zinc/22/87/20/1357228720.db2.gz IETZTWBUXUIDKD-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001378603274 1345192323 /nfs/dbraw/zinc/19/23/23/1345192323.db2.gz HCSHENTWUBJHSM-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001378608298 1345195010 /nfs/dbraw/zinc/19/50/10/1345195010.db2.gz CNLJPEWWLHDSJS-LPHOPBHVSA-N 1 3 333.520 2.732 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001378608314 1345195568 /nfs/dbraw/zinc/19/55/68/1345195568.db2.gz COTMAFYCMGOPPB-KSSFIOAISA-N 1 3 337.483 2.562 20 0 EFADHO O=C(NCC1(NCCF)CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001378696288 1345256211 /nfs/dbraw/zinc/25/62/11/1345256211.db2.gz PSAXWPJZZHCMDW-INIZCTEOSA-N 1 3 339.499 2.629 20 0 EFADHO O=C(NCC1(NCCF)CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001378696288 1345256217 /nfs/dbraw/zinc/25/62/17/1345256217.db2.gz PSAXWPJZZHCMDW-INIZCTEOSA-N 1 3 339.499 2.629 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)N(C)C ZINC001378719035 1345273338 /nfs/dbraw/zinc/27/33/38/1345273338.db2.gz VLEATUXBDFOVHD-GOSISDBHSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378779962 1345310764 /nfs/dbraw/zinc/31/07/64/1345310764.db2.gz YDUFBSVNMDRLKX-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001378815147 1345334744 /nfs/dbraw/zinc/33/47/44/1345334744.db2.gz SWANXGBERLKJNM-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001378813270 1345333429 /nfs/dbraw/zinc/33/34/29/1345333429.db2.gz QSMUGNLHSNZETO-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001378827725 1345344547 /nfs/dbraw/zinc/34/45/47/1345344547.db2.gz HWRKROFFZSBNEP-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC001378897741 1345406866 /nfs/dbraw/zinc/40/68/66/1345406866.db2.gz MAWSMQGVUOTNGO-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001378903157 1345411563 /nfs/dbraw/zinc/41/15/63/1345411563.db2.gz PFLXWMJTKQAKPQ-SFHVURJKSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001378903157 1345411566 /nfs/dbraw/zinc/41/15/66/1345411566.db2.gz PFLXWMJTKQAKPQ-SFHVURJKSA-N 1 3 325.541 2.932 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1 ZINC001378921032 1345426148 /nfs/dbraw/zinc/42/61/48/1345426148.db2.gz KNSKOJDOFKEOHL-VTGFLYEISA-N 1 3 341.927 2.784 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1 ZINC001378921032 1345426150 /nfs/dbraw/zinc/42/61/50/1345426150.db2.gz KNSKOJDOFKEOHL-VTGFLYEISA-N 1 3 341.927 2.784 20 0 EFADHO CN(CCF)CCC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001378925023 1345430118 /nfs/dbraw/zinc/43/01/18/1345430118.db2.gz YGLNUJIIONZPNW-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC=C(Cl)Cl ZINC001378961987 1345461272 /nfs/dbraw/zinc/46/12/72/1345461272.db2.gz MNKOBODYUJEIOI-ZDUSSCGKSA-N 1 3 336.307 2.520 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C(C)C)c1 ZINC001378967069 1345465981 /nfs/dbraw/zinc/46/59/81/1345465981.db2.gz VYCWZUXIKYRDES-LJQANCHMSA-N 1 3 331.504 2.710 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001379014103 1345496722 /nfs/dbraw/zinc/49/67/22/1345496722.db2.gz NOCUESQCMCGBLR-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCN(C)C(=O)CCC[NH+](C)C ZINC001379088859 1345565202 /nfs/dbraw/zinc/56/52/02/1345565202.db2.gz LRZYIJNKDCDVIH-UHFFFAOYSA-N 1 3 339.911 2.880 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001379094747 1345571047 /nfs/dbraw/zinc/57/10/47/1345571047.db2.gz DPVVXVQIBLONIV-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C ZINC001379094747 1345571050 /nfs/dbraw/zinc/57/10/50/1345571050.db2.gz DPVVXVQIBLONIV-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001379100787 1345577522 /nfs/dbraw/zinc/57/75/22/1345577522.db2.gz TZUDQZHSLROHSI-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO Cc1cccc(C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001379100787 1345577527 /nfs/dbraw/zinc/57/75/27/1345577527.db2.gz TZUDQZHSLROHSI-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C/C=C\c1ccccc1 ZINC001379137847 1345615908 /nfs/dbraw/zinc/61/59/08/1345615908.db2.gz IFGYNTBNUBRMHQ-KTZABMDBSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)C/C=C\c1ccccc1 ZINC001379137847 1345615910 /nfs/dbraw/zinc/61/59/10/1345615910.db2.gz IFGYNTBNUBRMHQ-KTZABMDBSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C/C=C\c1ccccc1 ZINC001379137840 1345616036 /nfs/dbraw/zinc/61/60/36/1345616036.db2.gz IFGYNTBNUBRMHQ-IMTHGLKYSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C/C=C\c1ccccc1 ZINC001379137840 1345616039 /nfs/dbraw/zinc/61/60/39/1345616039.db2.gz IFGYNTBNUBRMHQ-IMTHGLKYSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001379146686 1345624092 /nfs/dbraw/zinc/62/40/92/1345624092.db2.gz LXZHQBTYSXIBEV-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001379221439 1345666498 /nfs/dbraw/zinc/66/64/98/1345666498.db2.gz FQDFUEOBILSTJC-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001379229853 1345670275 /nfs/dbraw/zinc/67/02/75/1345670275.db2.gz MWSVPVIHFKKMQO-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001379329590 1345732352 /nfs/dbraw/zinc/73/23/52/1345732352.db2.gz YAPXYDOZGOKORW-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001379559247 1345862325 /nfs/dbraw/zinc/86/23/25/1345862325.db2.gz BUZBQHDINRCPFU-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175021 1373732407 /nfs/dbraw/zinc/73/24/07/1373732407.db2.gz NJSLTIGARAWRKZ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[NH+]1CCC(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001419398546 1375222444 /nfs/dbraw/zinc/22/24/44/1375222444.db2.gz UZDVBXFCSSYDCE-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](CC)C1 ZINC001379935871 1347413134 /nfs/dbraw/zinc/41/31/34/1347413134.db2.gz TWXLVHHXZCPKSO-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](CC)C1 ZINC001379935865 1347413405 /nfs/dbraw/zinc/41/34/05/1347413405.db2.gz TWXLVHHXZCPKSO-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1 ZINC001380077614 1347504509 /nfs/dbraw/zinc/50/45/09/1347504509.db2.gz FOZOTBGBYLGKLX-ZAOIQFLMSA-N 1 3 341.499 2.813 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001380078444 1347505004 /nfs/dbraw/zinc/50/50/04/1347505004.db2.gz JBZKWWJPYDVOIZ-QGZVFWFLSA-N 1 3 349.906 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380078444 1347505009 /nfs/dbraw/zinc/50/50/09/1347505009.db2.gz JBZKWWJPYDVOIZ-QGZVFWFLSA-N 1 3 349.906 2.953 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380078444 1347505012 /nfs/dbraw/zinc/50/50/12/1347505012.db2.gz JBZKWWJPYDVOIZ-QGZVFWFLSA-N 1 3 349.906 2.953 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CC1 ZINC001380080343 1347506381 /nfs/dbraw/zinc/50/63/81/1347506381.db2.gz PHQFAKKSNMBFMG-KRWDZBQOSA-N 1 3 349.544 2.978 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001380170524 1347546929 /nfs/dbraw/zinc/54/69/29/1347546929.db2.gz HDJLPLVLIQRMDC-YIZWMMSDSA-N 1 3 343.924 2.821 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380173090 1347547982 /nfs/dbraw/zinc/54/79/82/1347547982.db2.gz SXDBAULRPPKMQV-UHFFFAOYSA-N 1 3 349.906 2.954 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001380175275 1347549491 /nfs/dbraw/zinc/54/94/91/1347549491.db2.gz BAOAUOXXKRNMJX-UHFFFAOYSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001380176442 1347550145 /nfs/dbraw/zinc/55/01/45/1347550145.db2.gz LMVZZERMIOHRNN-ACBHZAAOSA-N 1 3 331.504 2.723 20 0 EFADHO CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001380177866 1347551750 /nfs/dbraw/zinc/55/17/50/1347551750.db2.gz LPTOKWLDIWFUPC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001380177866 1347551752 /nfs/dbraw/zinc/55/17/52/1347551752.db2.gz LPTOKWLDIWFUPC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001419714959 1375760928 /nfs/dbraw/zinc/76/09/28/1375760928.db2.gz FLTSUANELLDYNN-IUODEOHRSA-N 1 3 345.940 2.924 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380309491 1347583049 /nfs/dbraw/zinc/58/30/49/1347583049.db2.gz SHRYTYAFNANNOM-SFHVURJKSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380675469 1347805345 /nfs/dbraw/zinc/80/53/45/1347805345.db2.gz KQOXIWVQIWAEHQ-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001380682061 1347810530 /nfs/dbraw/zinc/81/05/30/1347810530.db2.gz ORJHWNYOBFLIGF-RDGPPVDQSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001380682061 1347810535 /nfs/dbraw/zinc/81/05/35/1347810535.db2.gz ORJHWNYOBFLIGF-RDGPPVDQSA-N 1 3 335.536 2.732 20 0 EFADHO CCc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001380950523 1347979860 /nfs/dbraw/zinc/97/98/60/1347979860.db2.gz UWJFOCPUKQILBZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001380950523 1347979863 /nfs/dbraw/zinc/97/98/63/1347979863.db2.gz UWJFOCPUKQILBZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001380968463 1347992423 /nfs/dbraw/zinc/99/24/23/1347992423.db2.gz WOHMKOUYGFBQBE-GOSISDBHSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001380968463 1347992426 /nfs/dbraw/zinc/99/24/26/1347992426.db2.gz WOHMKOUYGFBQBE-GOSISDBHSA-N 1 3 345.531 2.926 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001380968314 1347992581 /nfs/dbraw/zinc/99/25/81/1347992581.db2.gz DYGJYZSZDOSDLN-GOSISDBHSA-N 1 3 337.483 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001380968314 1347992584 /nfs/dbraw/zinc/99/25/84/1347992584.db2.gz DYGJYZSZDOSDLN-GOSISDBHSA-N 1 3 337.483 2.692 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H](C)C1 ZINC001381120972 1348090378 /nfs/dbraw/zinc/09/03/78/1348090378.db2.gz CPXPZPDHYOSKIS-HOCLYGCPSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCC(F)(F)F ZINC001381167327 1348116513 /nfs/dbraw/zinc/11/65/13/1348116513.db2.gz VWPPIAITUQTTBR-GJZGRUSLSA-N 1 3 349.441 2.784 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CCN1CCC(F)(F)F ZINC001381167328 1348116604 /nfs/dbraw/zinc/11/66/04/1348116604.db2.gz VWPPIAITUQTTBR-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C ZINC001381290904 1348190933 /nfs/dbraw/zinc/19/09/33/1348190933.db2.gz LFFCEWWSBPAFHW-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C ZINC001381290904 1348190936 /nfs/dbraw/zinc/19/09/36/1348190936.db2.gz LFFCEWWSBPAFHW-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1)N(C)C ZINC001381296618 1348196311 /nfs/dbraw/zinc/19/63/11/1348196311.db2.gz NWVBPCNAKMTXPC-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001381296618 1348196314 /nfs/dbraw/zinc/19/63/14/1348196314.db2.gz NWVBPCNAKMTXPC-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1cccnc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001394024313 1357396156 /nfs/dbraw/zinc/39/61/56/1357396156.db2.gz ZRYWFTHTLKAPSR-SFHVURJKSA-N 1 3 348.535 2.550 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001381538309 1348339956 /nfs/dbraw/zinc/33/99/56/1348339956.db2.gz ULCMCAOYPNPJHL-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001381538309 1348339960 /nfs/dbraw/zinc/33/99/60/1348339960.db2.gz ULCMCAOYPNPJHL-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381540720 1348342138 /nfs/dbraw/zinc/34/21/38/1348342138.db2.gz ZUGBYYVRDVQXDC-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381540720 1348342141 /nfs/dbraw/zinc/34/21/41/1348342141.db2.gz ZUGBYYVRDVQXDC-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1ccc(Cl)cc1 ZINC001381571806 1348368983 /nfs/dbraw/zinc/36/89/83/1348368983.db2.gz XCROHXIWHIERTH-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO COc1cccc(CN(C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001381615860 1348406154 /nfs/dbraw/zinc/40/61/54/1348406154.db2.gz HIXCTLFUGUPIFA-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001381802459 1348536229 /nfs/dbraw/zinc/53/62/29/1348536229.db2.gz GYOPXORKDFVKDQ-FXAWDEMLSA-N 1 3 345.531 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001381809787 1348542212 /nfs/dbraw/zinc/54/22/12/1348542212.db2.gz URDNMLFBPLAWJO-XLIONFOSSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001382070821 1348698351 /nfs/dbraw/zinc/69/83/51/1348698351.db2.gz RAOCBJJNRWLDJV-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001382098241 1348718008 /nfs/dbraw/zinc/71/80/08/1348718008.db2.gz ZZSAHJKCYDZIDH-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001382148322 1348768216 /nfs/dbraw/zinc/76/82/16/1348768216.db2.gz GKWHJKNQUULDJQ-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1sccc1Cl)[NH+](C)C ZINC001382155170 1348776661 /nfs/dbraw/zinc/77/66/61/1348776661.db2.gz FMRSHJWXVYOLFD-SWLSCSKDSA-N 1 3 345.940 2.924 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001394123024 1357497113 /nfs/dbraw/zinc/49/71/13/1357497113.db2.gz GQRXRAPAHDHTDX-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001394123024 1357497116 /nfs/dbraw/zinc/49/71/16/1357497116.db2.gz GQRXRAPAHDHTDX-KXBFYZLASA-N 1 3 331.504 2.841 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1 ZINC001394252307 1357638606 /nfs/dbraw/zinc/63/86/06/1357638606.db2.gz GOEAWLGTWLMOCL-CQSZACIVSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388643002 1352881803 /nfs/dbraw/zinc/88/18/03/1352881803.db2.gz AIZRZXDVNIBGFJ-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388643003 1352882147 /nfs/dbraw/zinc/88/21/47/1352882147.db2.gz AIZRZXDVNIBGFJ-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001388682216 1352917031 /nfs/dbraw/zinc/91/70/31/1352917031.db2.gz PRTFCWJMBJEVBM-ZCNNSNEGSA-N 1 3 345.531 2.608 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001394271577 1357655246 /nfs/dbraw/zinc/65/52/46/1357655246.db2.gz OQLOMRYZVKLPAY-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001388696578 1352928810 /nfs/dbraw/zinc/92/88/10/1352928810.db2.gz DKAMXMXDAAQJOC-KURKYZTESA-N 1 3 331.504 2.882 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001388697953 1352929354 /nfs/dbraw/zinc/92/93/54/1352929354.db2.gz KOOIYQMXCRIWGI-MBNYWOFBSA-N 1 3 343.924 2.726 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001388718640 1352946842 /nfs/dbraw/zinc/94/68/42/1352946842.db2.gz DOFYFNZONXRAOQ-WGSAOQKQSA-N 1 3 343.515 2.506 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001388723528 1352951833 /nfs/dbraw/zinc/95/18/33/1352951833.db2.gz DHEPQLWWOLUQAF-KOMQPUFPSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001388737500 1352964481 /nfs/dbraw/zinc/96/44/81/1352964481.db2.gz VDJPSOKMQWFAEL-QAQDUYKDSA-N 1 3 346.519 2.961 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001389486269 1353423111 /nfs/dbraw/zinc/42/31/11/1353423111.db2.gz LEDGMKXPTGAUBA-RBUKOAKNSA-N 1 3 349.494 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001389486269 1353423114 /nfs/dbraw/zinc/42/31/14/1353423114.db2.gz LEDGMKXPTGAUBA-RBUKOAKNSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389853569 1353648962 /nfs/dbraw/zinc/64/89/62/1353648962.db2.gz JCYFCDKEIIVLFY-BRWVUGGUSA-N 1 3 329.488 2.777 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001389870488 1353658088 /nfs/dbraw/zinc/65/80/88/1353658088.db2.gz DPLBPLDTXCYSPG-NCXUSEDFSA-N 1 3 331.504 2.961 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001390027699 1353750497 /nfs/dbraw/zinc/75/04/97/1353750497.db2.gz BNMQWHFOBBSLDY-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001390027699 1353750499 /nfs/dbraw/zinc/75/04/99/1353750499.db2.gz BNMQWHFOBBSLDY-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1csc(C)c1)C2 ZINC001394351085 1357724542 /nfs/dbraw/zinc/72/45/42/1357724542.db2.gz ROSOGPGKKNESCR-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(C)c1)C2 ZINC001394351085 1357724545 /nfs/dbraw/zinc/72/45/45/1357724545.db2.gz ROSOGPGKKNESCR-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001390158534 1353873649 /nfs/dbraw/zinc/87/36/49/1353873649.db2.gz OJXVEFXZKAWZPI-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001390261760 1353961013 /nfs/dbraw/zinc/96/10/13/1353961013.db2.gz AQGNOWWNNPURPB-ZRDIBKRKSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001390261760 1353961018 /nfs/dbraw/zinc/96/10/18/1353961018.db2.gz AQGNOWWNNPURPB-ZRDIBKRKSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001390483746 1354116806 /nfs/dbraw/zinc/11/68/06/1354116806.db2.gz PWMCVQREVKLBDS-GKUQOKNUSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001390488111 1354119544 /nfs/dbraw/zinc/11/95/44/1354119544.db2.gz ZQTWXIBYTBIMKI-CQSZACIVSA-N 1 3 339.911 2.912 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001390503273 1354130502 /nfs/dbraw/zinc/13/05/02/1354130502.db2.gz CBHPXYHHDHVNKX-KXBFYZLASA-N 1 3 348.535 2.694 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001390510363 1354136292 /nfs/dbraw/zinc/13/62/92/1354136292.db2.gz OYYSMGAHTMZWKJ-JXFKEZNVSA-N 1 3 341.499 2.817 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001390513614 1354139411 /nfs/dbraw/zinc/13/94/11/1354139411.db2.gz ZHHCZFOSOVXDCX-MRXNPFEDSA-N 1 3 327.472 2.776 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001390607406 1354201749 /nfs/dbraw/zinc/20/17/49/1354201749.db2.gz GMPKWOQUJNLNCN-ROUUACIJSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001390666454 1354259868 /nfs/dbraw/zinc/25/98/68/1354259868.db2.gz SMODKSSMQYLMEH-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001390779219 1354367239 /nfs/dbraw/zinc/36/72/39/1354367239.db2.gz FNCIEGQALBZKAQ-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001390779219 1354367242 /nfs/dbraw/zinc/36/72/42/1354367242.db2.gz FNCIEGQALBZKAQ-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001390812032 1354398399 /nfs/dbraw/zinc/39/83/99/1354398399.db2.gz OSJDFGNUUCXCQZ-UHFFFAOYSA-N 1 3 345.531 2.775 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847363 1354430447 /nfs/dbraw/zinc/43/04/47/1354430447.db2.gz NLBISZSNHPDMKX-CZUORRHYSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847363 1354430445 /nfs/dbraw/zinc/43/04/45/1354430445.db2.gz NLBISZSNHPDMKX-CZUORRHYSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848621 1354431823 /nfs/dbraw/zinc/43/18/23/1354431823.db2.gz XCUQIJPDELJPON-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848621 1354431825 /nfs/dbraw/zinc/43/18/25/1354431825.db2.gz XCUQIJPDELJPON-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@H]1CCC[C@H](C)C1 ZINC001391011795 1354683715 /nfs/dbraw/zinc/68/37/15/1354683715.db2.gz YFXATPSGNZSXDH-DOTOQJQBSA-N 1 3 334.508 2.915 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@H]1CCC[C@H](C)C1 ZINC001391011795 1354683719 /nfs/dbraw/zinc/68/37/19/1354683719.db2.gz YFXATPSGNZSXDH-DOTOQJQBSA-N 1 3 334.508 2.915 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001391102753 1354797564 /nfs/dbraw/zinc/79/75/64/1354797564.db2.gz PVAYITRBCJASJG-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001391102753 1354797565 /nfs/dbraw/zinc/79/75/65/1354797565.db2.gz PVAYITRBCJASJG-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391109020 1354806537 /nfs/dbraw/zinc/80/65/37/1354806537.db2.gz IVIJURWYISEAEG-APWZRJJASA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391109020 1354806542 /nfs/dbraw/zinc/80/65/42/1354806542.db2.gz IVIJURWYISEAEG-APWZRJJASA-N 1 3 349.494 2.658 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC001391111145 1354810274 /nfs/dbraw/zinc/81/02/74/1354810274.db2.gz LTCYCSYQEPCOPQ-QGZVFWFLSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001391111145 1354810280 /nfs/dbraw/zinc/81/02/80/1354810280.db2.gz LTCYCSYQEPCOPQ-QGZVFWFLSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391116205 1354818141 /nfs/dbraw/zinc/81/81/41/1354818141.db2.gz WLQWZSQQEWHSNY-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391116205 1354818146 /nfs/dbraw/zinc/81/81/46/1354818146.db2.gz WLQWZSQQEWHSNY-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@H]1CCc2c1cccc2F ZINC001391127160 1354834020 /nfs/dbraw/zinc/83/40/20/1354834020.db2.gz CECGUPJMJNILCD-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@H]1CCc2c1cccc2F ZINC001391127160 1354834022 /nfs/dbraw/zinc/83/40/22/1354834022.db2.gz CECGUPJMJNILCD-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001391189189 1354918692 /nfs/dbraw/zinc/91/86/92/1354918692.db2.gz XHUHPEAQYMFJPD-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001391189189 1354918693 /nfs/dbraw/zinc/91/86/93/1354918693.db2.gz XHUHPEAQYMFJPD-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)c1ccccc1CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001391195292 1354922914 /nfs/dbraw/zinc/92/29/14/1354922914.db2.gz FUFUWXRLXPNVJR-GOSISDBHSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391195292 1354922916 /nfs/dbraw/zinc/92/29/16/1354922916.db2.gz FUFUWXRLXPNVJR-GOSISDBHSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001391198823 1354927686 /nfs/dbraw/zinc/92/76/86/1354927686.db2.gz DOVDYIJJZPTOPI-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001391224677 1354946509 /nfs/dbraw/zinc/94/65/09/1354946509.db2.gz GKCJQORPVLGLGK-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001391324510 1355076809 /nfs/dbraw/zinc/07/68/09/1355076809.db2.gz NMLZEQXXBKDSIH-IBGZPJMESA-N 1 3 345.531 2.993 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001391324510 1355076812 /nfs/dbraw/zinc/07/68/12/1355076812.db2.gz NMLZEQXXBKDSIH-IBGZPJMESA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC001391340532 1355096849 /nfs/dbraw/zinc/09/68/49/1355096849.db2.gz VAISXDYKNUVKAI-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC001391340532 1355096854 /nfs/dbraw/zinc/09/68/54/1355096854.db2.gz VAISXDYKNUVKAI-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365067 1355132239 /nfs/dbraw/zinc/13/22/39/1355132239.db2.gz WGZANGJSFBQSKU-QFBILLFUSA-N 1 3 340.471 2.884 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365067 1355132241 /nfs/dbraw/zinc/13/22/41/1355132241.db2.gz WGZANGJSFBQSKU-QFBILLFUSA-N 1 3 340.471 2.884 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCCC2CCC2)CC1 ZINC001391366886 1355134744 /nfs/dbraw/zinc/13/47/44/1355134744.db2.gz SZVMGIPIFRHACB-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCCC2CCC2)CC1 ZINC001391366886 1355134747 /nfs/dbraw/zinc/13/47/47/1355134747.db2.gz SZVMGIPIFRHACB-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(Cc1ccccc1F)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001391367170 1355135765 /nfs/dbraw/zinc/13/57/65/1355135765.db2.gz NODWUUSVVFKUAY-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001391398392 1355168572 /nfs/dbraw/zinc/16/85/72/1355168572.db2.gz BFNDJBBSBVZAPN-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001391475542 1355227527 /nfs/dbraw/zinc/22/75/27/1355227527.db2.gz JKPVGEQYLWMXKJ-APWZRJJASA-N 1 3 349.494 2.784 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391475546 1355227688 /nfs/dbraw/zinc/22/76/88/1355227688.db2.gz JKPVGEQYLWMXKJ-QFBILLFUSA-N 1 3 349.494 2.784 20 0 EFADHO CC(C)CC1(C(=O)NCC2C[NH+](CC3CC4CCC3O4)C2)CCC1 ZINC001391487959 1355240041 /nfs/dbraw/zinc/24/00/41/1355240041.db2.gz IHVSSLXPPUFYFY-KZNAEPCWSA-N 1 3 334.504 2.818 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001391535053 1355283657 /nfs/dbraw/zinc/28/36/57/1355283657.db2.gz DCKHTLTYOANXLS-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001391535053 1355283660 /nfs/dbraw/zinc/28/36/60/1355283660.db2.gz DCKHTLTYOANXLS-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC1 ZINC001391538032 1355285802 /nfs/dbraw/zinc/28/58/02/1355285802.db2.gz PFYYYOYHNNWQGV-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(CCC[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001391580684 1355322785 /nfs/dbraw/zinc/32/27/85/1355322785.db2.gz UOCGOWSUFORUMM-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cccc(CCC[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001391580684 1355322789 /nfs/dbraw/zinc/32/27/89/1355322789.db2.gz UOCGOWSUFORUMM-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)cc1C ZINC001391626999 1355372116 /nfs/dbraw/zinc/37/21/16/1355372116.db2.gz YHYUZHKJBGPCSR-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001391631955 1355378118 /nfs/dbraw/zinc/37/81/18/1355378118.db2.gz NYLFJZNNKAPBSW-LJQANCHMSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001391696366 1355442740 /nfs/dbraw/zinc/44/27/40/1355442740.db2.gz PNDFFCTUEUJNIF-LPHOPBHVSA-N 1 3 347.478 2.782 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H]1CCCCN1CC)Cc1ccccc1 ZINC001399981387 1361635952 /nfs/dbraw/zinc/63/59/52/1361635952.db2.gz VKGMJVBLKQYKIE-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H]1CCCCN1CC)Cc1ccccc1 ZINC001399981387 1361635954 /nfs/dbraw/zinc/63/59/54/1361635954.db2.gz VKGMJVBLKQYKIE-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001391733063 1355477173 /nfs/dbraw/zinc/47/71/73/1355477173.db2.gz BKXVTPWZVDJGJV-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1sccc1Cl ZINC001391747084 1355492122 /nfs/dbraw/zinc/49/21/22/1355492122.db2.gz YZBIYELWCVLTGN-WFASDCNBSA-N 1 3 345.940 2.972 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001391825554 1355569144 /nfs/dbraw/zinc/56/91/44/1355569144.db2.gz FPFPOWXIYHLPQC-FHWLQOOXSA-N 1 3 331.504 2.852 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001391865568 1355604913 /nfs/dbraw/zinc/60/49/13/1355604913.db2.gz AQEOAUWZHGXBFI-RUDMXATFSA-N 1 3 341.927 2.785 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC2(CCN(C/C=C/Cl)C2)CC1 ZINC001391865568 1355604916 /nfs/dbraw/zinc/60/49/16/1355604916.db2.gz AQEOAUWZHGXBFI-RUDMXATFSA-N 1 3 341.927 2.785 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001391922019 1355649524 /nfs/dbraw/zinc/64/95/24/1355649524.db2.gz OPDHPLHSHBCHOR-LIRRHRJNSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001391922004 1355649647 /nfs/dbraw/zinc/64/96/47/1355649647.db2.gz OPDHPLHSHBCHOR-IFXJQAMLSA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001391940570 1355666409 /nfs/dbraw/zinc/66/64/09/1355666409.db2.gz VAOYOPWVVXYMTK-CJNGLKHVSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392121615 1355784066 /nfs/dbraw/zinc/78/40/66/1355784066.db2.gz WEWVMVBRHBGRPV-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001392125138 1355786958 /nfs/dbraw/zinc/78/69/58/1355786958.db2.gz PUYOZZAJDNBRGD-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001392132927 1355792398 /nfs/dbraw/zinc/79/23/98/1355792398.db2.gz NISQBUGBEXWRPM-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001392149828 1355806086 /nfs/dbraw/zinc/80/60/86/1355806086.db2.gz IGEUZRGUTKPPJZ-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C[NH2+]CC1CCC1 ZINC001392200222 1355856473 /nfs/dbraw/zinc/85/64/73/1355856473.db2.gz XTNUACYVLDVJKP-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001392220578 1355874873 /nfs/dbraw/zinc/87/48/73/1355874873.db2.gz BMZIVUYPGKOKHB-MSOLQXFVSA-N 1 3 337.483 2.642 20 0 EFADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccn1 ZINC001392223742 1355877949 /nfs/dbraw/zinc/87/79/49/1355877949.db2.gz VIZZYFZORGPAKQ-GOSISDBHSA-N 1 3 346.519 2.577 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC001392255394 1355912415 /nfs/dbraw/zinc/91/24/15/1355912415.db2.gz KCGTXTQNZROTDB-IBGZPJMESA-N 1 3 342.487 2.808 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001392282869 1355938266 /nfs/dbraw/zinc/93/82/66/1355938266.db2.gz GOXLYFKCZYLBSJ-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001392282869 1355938275 /nfs/dbraw/zinc/93/82/75/1355938275.db2.gz GOXLYFKCZYLBSJ-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001392452958 1356048215 /nfs/dbraw/zinc/04/82/15/1356048215.db2.gz MCXOBYJWBLYENL-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H](C(C)C)N(C)C ZINC001392458390 1356052306 /nfs/dbraw/zinc/05/23/06/1356052306.db2.gz JFABFWJJDPCOQL-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001392523440 1356096639 /nfs/dbraw/zinc/09/66/39/1356096639.db2.gz BPSIYZJUDYJDOI-DOMZBBRYSA-N 1 3 327.419 2.559 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001392590741 1356142285 /nfs/dbraw/zinc/14/22/85/1356142285.db2.gz HETANSMOQCFFMT-ZDUSSCGKSA-N 1 3 339.549 2.937 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001392590913 1356142478 /nfs/dbraw/zinc/14/24/78/1356142478.db2.gz HSWBWGAKNMDCAV-ZDUSSCGKSA-N 1 3 341.446 2.537 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001392611236 1356158496 /nfs/dbraw/zinc/15/84/96/1356158496.db2.gz XXRVLEUQXZJAPP-HOTGVXAUSA-N 1 3 331.504 2.672 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392658952 1356205715 /nfs/dbraw/zinc/20/57/15/1356205715.db2.gz HATFYSLOZYKDKT-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392658952 1356205718 /nfs/dbraw/zinc/20/57/18/1356205718.db2.gz HATFYSLOZYKDKT-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001392660134 1356207200 /nfs/dbraw/zinc/20/72/00/1356207200.db2.gz DRNQQCCWBUOCIU-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001392660134 1356207203 /nfs/dbraw/zinc/20/72/03/1356207203.db2.gz DRNQQCCWBUOCIU-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H](CN(C)CCc1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001392706602 1356260312 /nfs/dbraw/zinc/26/03/12/1356260312.db2.gz VMNWHQBIYAFEPX-MRXNPFEDSA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1C ZINC001392718518 1356273170 /nfs/dbraw/zinc/27/31/70/1356273170.db2.gz CLJBBTPJDJVFCZ-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001392718518 1356273176 /nfs/dbraw/zinc/27/31/76/1356273176.db2.gz CLJBBTPJDJVFCZ-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392718630 1356273927 /nfs/dbraw/zinc/27/39/27/1356273927.db2.gz DXEUXVYNJGGSEE-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001392725949 1356284038 /nfs/dbraw/zinc/28/40/38/1356284038.db2.gz JNJYWVNYSMUITB-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1)N(C)C ZINC001392791275 1356329246 /nfs/dbraw/zinc/32/92/46/1356329246.db2.gz FGEJQZYMUJGUGE-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001392908672 1356422990 /nfs/dbraw/zinc/42/29/90/1356422990.db2.gz PXMLCEWDKGBUNU-GOSISDBHSA-N 1 3 347.478 2.747 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001392908672 1356422992 /nfs/dbraw/zinc/42/29/92/1356422992.db2.gz PXMLCEWDKGBUNU-GOSISDBHSA-N 1 3 347.478 2.747 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1 ZINC001392972967 1356479898 /nfs/dbraw/zinc/47/98/98/1356479898.db2.gz UHHCSHDXCZHEAY-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1 ZINC001392972967 1356479901 /nfs/dbraw/zinc/47/99/01/1356479901.db2.gz UHHCSHDXCZHEAY-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001393041943 1356532264 /nfs/dbraw/zinc/53/22/64/1356532264.db2.gz WMUJOAUANZEPRB-ODEKCMFZSA-N 1 3 338.455 2.635 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001393058398 1356545527 /nfs/dbraw/zinc/54/55/27/1356545527.db2.gz ZPBBKRYRSXGXBA-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001393058398 1356545530 /nfs/dbraw/zinc/54/55/30/1356545530.db2.gz ZPBBKRYRSXGXBA-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CN(CC(=O)NC1(C)CC[NH+](CCc2cccs2)CC1)C1CCC1 ZINC001393064664 1356551329 /nfs/dbraw/zinc/55/13/29/1356551329.db2.gz YDBNREUSWCYMRC-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001393121173 1356622151 /nfs/dbraw/zinc/62/21/51/1356622151.db2.gz KTLWKAKARPTEAQ-ZBWUASRJSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(C/C=C/c2ccccc2)C1 ZINC001393121173 1356622155 /nfs/dbraw/zinc/62/21/55/1356622155.db2.gz KTLWKAKARPTEAQ-ZBWUASRJSA-N 1 3 329.488 2.622 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(C)CCN(Cc2ccccc2F)CC1 ZINC001393180537 1356685265 /nfs/dbraw/zinc/68/52/65/1356685265.db2.gz KUGXCBBSPNTPRN-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC(CC)C[NH+]1CCC(C)(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001393183139 1356689280 /nfs/dbraw/zinc/68/92/80/1356689280.db2.gz FZINPFBNWSZMQJ-UHFFFAOYSA-N 1 3 334.508 2.915 20 0 EFADHO CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2cccc(F)c2)CC1)N(C)C ZINC001393187121 1356694807 /nfs/dbraw/zinc/69/48/07/1356694807.db2.gz ONMZDBXNHRJOTL-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001393593841 1356973786 /nfs/dbraw/zinc/97/37/86/1356973786.db2.gz CEGPMURYJHITPQ-INIZCTEOSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001393593841 1356973789 /nfs/dbraw/zinc/97/37/89/1356973789.db2.gz CEGPMURYJHITPQ-INIZCTEOSA-N 1 3 337.533 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC001393597187 1356980829 /nfs/dbraw/zinc/98/08/29/1356980829.db2.gz IPWSBBBUOGXBEO-HKUYNNGSSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001393601311 1356986513 /nfs/dbraw/zinc/98/65/13/1356986513.db2.gz KUZGUBXZSPNNIX-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001393601311 1356986515 /nfs/dbraw/zinc/98/65/15/1356986515.db2.gz KUZGUBXZSPNNIX-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC001393600899 1356987289 /nfs/dbraw/zinc/98/72/89/1356987289.db2.gz KGAPRHVYOLIHME-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1 ZINC001393600899 1356987291 /nfs/dbraw/zinc/98/72/91/1356987291.db2.gz KGAPRHVYOLIHME-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CN(CCC[N@H+](C)CCCc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001393612115 1357000657 /nfs/dbraw/zinc/00/06/57/1357000657.db2.gz DTJJOHILIYAUIE-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@@H+](C)CCCc1ccsc1)C(=O)[C@@H]1CCCN1C ZINC001393612115 1357000659 /nfs/dbraw/zinc/00/06/59/1357000659.db2.gz DTJJOHILIYAUIE-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)[C@H]1CCCN1C ZINC001393612895 1357002168 /nfs/dbraw/zinc/00/21/68/1357002168.db2.gz KXIJTKYMDMRMBX-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CN(CCC[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)[C@H]1CCCN1C ZINC001393612895 1357002171 /nfs/dbraw/zinc/00/21/71/1357002171.db2.gz KXIJTKYMDMRMBX-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO Cc1ncccc1CN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001393615184 1357004057 /nfs/dbraw/zinc/00/40/57/1357004057.db2.gz BJXQZPJOUPVEQL-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO Cc1ncccc1CN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001393615184 1357004061 /nfs/dbraw/zinc/00/40/61/1357004061.db2.gz BJXQZPJOUPVEQL-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394488928 1357870223 /nfs/dbraw/zinc/87/02/23/1357870223.db2.gz LLJNMHKVVJEILB-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1 ZINC001436791139 1387299189 /nfs/dbraw/zinc/29/91/89/1387299189.db2.gz LTFYMLHDTBYJKB-QAPCUYQASA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)cc1F ZINC001436794924 1387301318 /nfs/dbraw/zinc/30/13/18/1387301318.db2.gz YDNYDINYQNLHIV-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@H]1C ZINC001394664213 1357983599 /nfs/dbraw/zinc/98/35/99/1357983599.db2.gz AYIDUCJEGXXCAE-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001394670103 1357987916 /nfs/dbraw/zinc/98/79/16/1357987916.db2.gz OWBAROJTIUMCHX-TXDDUOMGSA-N 1 3 335.879 2.693 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001394698754 1358023892 /nfs/dbraw/zinc/02/38/92/1358023892.db2.gz BEYZCDOXRGLNFJ-RDJZCZTQSA-N 1 3 349.544 2.915 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C)N(C)C ZINC001394822147 1358118077 /nfs/dbraw/zinc/11/80/77/1358118077.db2.gz NHRHTDNEMSMVAY-MSOLQXFVSA-N 1 3 333.520 2.893 20 0 EFADHO Cc1cccnc1CNC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001394829923 1358129156 /nfs/dbraw/zinc/12/91/56/1358129156.db2.gz AZRCHWWVOGCGMK-MSOLQXFVSA-N 1 3 348.535 2.597 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001397053505 1359637894 /nfs/dbraw/zinc/63/78/94/1359637894.db2.gz JNGNFPIHHOJDAZ-OAGGEKHMSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001397608562 1360000055 /nfs/dbraw/zinc/00/00/55/1360000055.db2.gz OPCXFPCIBOXRFG-OTWHNJEPSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001397638275 1360019983 /nfs/dbraw/zinc/01/99/83/1360019983.db2.gz XPSYNZNEHSQLPZ-CYJAXWMASA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]([NH2+]CCF)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001398204215 1360377493 /nfs/dbraw/zinc/37/74/93/1360377493.db2.gz KLMXFYUNJDVLLL-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001398244474 1360412760 /nfs/dbraw/zinc/41/27/60/1360412760.db2.gz CFMOTSLZIXMJFW-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)cc(C)c2)C1 ZINC001398244474 1360412763 /nfs/dbraw/zinc/41/27/63/1360412763.db2.gz CFMOTSLZIXMJFW-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001398253416 1360422046 /nfs/dbraw/zinc/42/20/46/1360422046.db2.gz SUQDDHIIDOJXBY-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001398253416 1360422048 /nfs/dbraw/zinc/42/20/48/1360422048.db2.gz SUQDDHIIDOJXBY-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2)N(C)C ZINC001398370774 1360492381 /nfs/dbraw/zinc/49/23/81/1360492381.db2.gz UWJJTHJXLOWJJZ-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001398459141 1360577036 /nfs/dbraw/zinc/57/70/36/1360577036.db2.gz SZBKQJDIYYZFIJ-SFHVURJKSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC001398531256 1360629053 /nfs/dbraw/zinc/62/90/53/1360629053.db2.gz CRZJBBGCWSEZEW-CGBFIWBNSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001398709770 1360735831 /nfs/dbraw/zinc/73/58/31/1360735831.db2.gz XDNRZWWJXYWRDU-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001398709770 1360735833 /nfs/dbraw/zinc/73/58/33/1360735833.db2.gz XDNRZWWJXYWRDU-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001398725315 1360742702 /nfs/dbraw/zinc/74/27/02/1360742702.db2.gz LZUMFHJKPPNPCK-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC001398725299 1360742973 /nfs/dbraw/zinc/74/29/73/1360742973.db2.gz LZUMFHJKPPNPCK-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001437211796 1387473550 /nfs/dbraw/zinc/47/35/50/1387473550.db2.gz STNUOEUJDFSKDV-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001398850186 1360833677 /nfs/dbraw/zinc/83/36/77/1360833677.db2.gz PEBMNZFSIMEMBN-UHFFFAOYSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1cccs1 ZINC001398927057 1360877114 /nfs/dbraw/zinc/87/71/14/1360877114.db2.gz FRGKXJAOVNQBHZ-HNNXBMFYSA-N 1 3 337.533 2.649 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)NCc1cc2ccccc2o1)[NH+](C)C ZINC001399024734 1360942021 /nfs/dbraw/zinc/94/20/21/1360942021.db2.gz GBYBHZQKHPGWGS-RDTXWAMCSA-N 1 3 331.460 2.613 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001399042304 1360954043 /nfs/dbraw/zinc/95/40/43/1360954043.db2.gz WLIGBHMXQRHWGB-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001399280103 1361121721 /nfs/dbraw/zinc/12/17/21/1361121721.db2.gz JYNAQYJPWFNDEC-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001399280103 1361121725 /nfs/dbraw/zinc/12/17/25/1361121725.db2.gz JYNAQYJPWFNDEC-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001399336818 1361159421 /nfs/dbraw/zinc/15/94/21/1361159421.db2.gz KBBAVRLDDSCQFN-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001399349472 1361165259 /nfs/dbraw/zinc/16/52/59/1361165259.db2.gz FPTVIJSXSAHCJO-CJNGLKHVSA-N 1 3 325.522 2.627 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001399410929 1361203773 /nfs/dbraw/zinc/20/37/73/1361203773.db2.gz BZMWKYBXFOFDTA-LRDDRELGSA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001399417562 1361208390 /nfs/dbraw/zinc/20/83/90/1361208390.db2.gz RAXLGONIVKRPMA-HIFRSBDPSA-N 1 3 333.467 2.637 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001399422213 1361212664 /nfs/dbraw/zinc/21/26/64/1361212664.db2.gz WRVCXPQSCWASIJ-KSSFIOAISA-N 1 3 335.467 2.639 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001399561128 1361332576 /nfs/dbraw/zinc/33/25/76/1361332576.db2.gz ZWKIQTDTFKIKBE-LJQANCHMSA-N 1 3 349.494 2.826 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001399561128 1361332579 /nfs/dbraw/zinc/33/25/79/1361332579.db2.gz ZWKIQTDTFKIKBE-LJQANCHMSA-N 1 3 349.494 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001399634057 1361389878 /nfs/dbraw/zinc/38/98/78/1361389878.db2.gz DZQSBRBEBIMOAX-OALUTQOASA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001399634057 1361389883 /nfs/dbraw/zinc/38/98/83/1361389883.db2.gz DZQSBRBEBIMOAX-OALUTQOASA-N 1 3 331.504 2.698 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)c1ccc(F)cc1 ZINC001399717986 1361451008 /nfs/dbraw/zinc/45/10/08/1361451008.db2.gz APPVWCRSYVZMCN-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H](C)c1ccc(F)cc1 ZINC001399717986 1361451011 /nfs/dbraw/zinc/45/10/11/1361451011.db2.gz APPVWCRSYVZMCN-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccc2c(c1)CCC2 ZINC001399808155 1361509182 /nfs/dbraw/zinc/50/91/82/1361509182.db2.gz JSXBNLDSQIJJGQ-HXUWFJFHSA-N 1 3 345.531 2.700 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccc2c(c1)CCC2 ZINC001399808155 1361509186 /nfs/dbraw/zinc/50/91/86/1361509186.db2.gz JSXBNLDSQIJJGQ-HXUWFJFHSA-N 1 3 345.531 2.700 20 0 EFADHO CCN(C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399831750 1361522767 /nfs/dbraw/zinc/52/27/67/1361522767.db2.gz WJUQGDKQCIGEDY-VGOKWCNXSA-N 1 3 349.906 2.743 20 0 EFADHO CCN(C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399831750 1361522768 /nfs/dbraw/zinc/52/27/68/1361522768.db2.gz WJUQGDKQCIGEDY-VGOKWCNXSA-N 1 3 349.906 2.743 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909236 1361569289 /nfs/dbraw/zinc/56/92/89/1361569289.db2.gz ICMKJPGUNFREJY-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909236 1361569293 /nfs/dbraw/zinc/56/92/93/1361569293.db2.gz ICMKJPGUNFREJY-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001399919501 1361576808 /nfs/dbraw/zinc/57/68/08/1361576808.db2.gz WZQREJHZVFBPCN-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001399919501 1361576811 /nfs/dbraw/zinc/57/68/11/1361576811.db2.gz WZQREJHZVFBPCN-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001399919495 1361576934 /nfs/dbraw/zinc/57/69/34/1361576934.db2.gz WZQREJHZVFBPCN-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001399919495 1361576937 /nfs/dbraw/zinc/57/69/37/1361576937.db2.gz WZQREJHZVFBPCN-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@H](CC)N(C)C)[C@H]1CCc2c1cccc2F ZINC001399968953 1361620886 /nfs/dbraw/zinc/62/08/86/1361620886.db2.gz CECGUPJMJNILCD-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@H](CC)N(C)C)[C@H]1CCc2c1cccc2F ZINC001399968953 1361620888 /nfs/dbraw/zinc/62/08/88/1361620888.db2.gz CECGUPJMJNILCD-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001400048668 1361698177 /nfs/dbraw/zinc/69/81/77/1361698177.db2.gz HXNAWIHITFZVHO-MSOLQXFVSA-N 1 3 337.483 2.911 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001400073488 1361713848 /nfs/dbraw/zinc/71/38/48/1361713848.db2.gz HXNAWIHITFZVHO-QZTJIDSGSA-N 1 3 337.483 2.911 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001400152980 1361789632 /nfs/dbraw/zinc/78/96/32/1361789632.db2.gz DEFGXBDYMANCNH-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001400152980 1361789637 /nfs/dbraw/zinc/78/96/37/1361789637.db2.gz DEFGXBDYMANCNH-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001400185514 1361826559 /nfs/dbraw/zinc/82/65/59/1361826559.db2.gz QJDOHWIHPPBFSQ-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001400185514 1361826562 /nfs/dbraw/zinc/82/65/62/1361826562.db2.gz QJDOHWIHPPBFSQ-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CN(C/C=C/Cl)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001400237004 1361872400 /nfs/dbraw/zinc/87/24/00/1361872400.db2.gz CFEQVVACWZHGTP-FPYGCLRLSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001437323474 1387542288 /nfs/dbraw/zinc/54/22/88/1387542288.db2.gz NQMLWTDHYLYUOI-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001400532167 1362014959 /nfs/dbraw/zinc/01/49/59/1362014959.db2.gz RUSCUVCDLPPBQE-INIZCTEOSA-N 1 3 335.536 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001437327703 1387548471 /nfs/dbraw/zinc/54/84/71/1387548471.db2.gz KMVBXGFVTNUJKS-YVAPMFQZSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C\Cl)C1 ZINC001437327703 1387548472 /nfs/dbraw/zinc/54/84/72/1387548472.db2.gz KMVBXGFVTNUJKS-YVAPMFQZSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400701136 1362105252 /nfs/dbraw/zinc/10/52/52/1362105252.db2.gz AHDDUTLPLQFTLN-AEFFLSMTSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001400708237 1362111315 /nfs/dbraw/zinc/11/13/15/1362111315.db2.gz NHRXXBHJUXKMJU-LJQANCHMSA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001400767074 1362152443 /nfs/dbraw/zinc/15/24/43/1362152443.db2.gz OBZQEFKPQXJODM-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001400767074 1362152445 /nfs/dbraw/zinc/15/24/45/1362152445.db2.gz OBZQEFKPQXJODM-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001400808099 1362176968 /nfs/dbraw/zinc/17/69/68/1362176968.db2.gz CWKYUMUAWHRHGZ-WMLDXEAASA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(C[NH2+]C[C@](C)(NC(=O)CN(C)C2CCC2)C2CC2)cc1 ZINC001400994662 1362337718 /nfs/dbraw/zinc/33/77/18/1362337718.db2.gz CUHQECSKDDNRKH-NRFANRHFSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001401001551 1362345233 /nfs/dbraw/zinc/34/52/33/1362345233.db2.gz CUUOKPSCAVYHAE-ICSRJNTNSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC001401053550 1362398647 /nfs/dbraw/zinc/39/86/47/1362398647.db2.gz YTOSHPJTXWPDTK-VBKZILBWSA-N 1 3 340.471 2.896 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401118999 1362456320 /nfs/dbraw/zinc/45/63/20/1362456320.db2.gz SFFWAIIBKGMDQM-YOEHRIQHSA-N 1 3 339.911 2.768 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401133901 1362470619 /nfs/dbraw/zinc/47/06/19/1362470619.db2.gz VPZOERCGJRJODB-IRXDYDNUSA-N 1 3 337.552 2.887 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001401148040 1362484678 /nfs/dbraw/zinc/48/46/78/1362484678.db2.gz VOAYJGDDCOZFKM-KSSFIOAISA-N 1 3 337.483 2.562 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001401219967 1362559663 /nfs/dbraw/zinc/55/96/63/1362559663.db2.gz IKZXNEPNMCHTGB-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)CN(C)C1CCC1 ZINC001401221360 1362560642 /nfs/dbraw/zinc/56/06/42/1362560642.db2.gz PLOARJNJWQNWDI-OAHLLOKOSA-N 1 3 343.471 2.854 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001401249542 1362588876 /nfs/dbraw/zinc/58/88/76/1362588876.db2.gz ZFODPBUULGEGQC-CXAGYDPISA-N 1 3 339.549 2.888 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001401258432 1362598218 /nfs/dbraw/zinc/59/82/18/1362598218.db2.gz LJCSXNXTICEMOP-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001401266679 1362607348 /nfs/dbraw/zinc/60/73/48/1362607348.db2.gz NDVKXNVWZFNVQY-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)C)N(C)C ZINC001401341302 1362688492 /nfs/dbraw/zinc/68/84/92/1362688492.db2.gz HNQMDUBZKVSDAC-IRXDYDNUSA-N 1 3 341.446 2.535 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c(C)c1 ZINC001401378991 1362730192 /nfs/dbraw/zinc/73/01/92/1362730192.db2.gz VNBVAXFOBMHYOH-HXUWFJFHSA-N 1 3 345.531 2.986 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c(C)c1 ZINC001401378991 1362730194 /nfs/dbraw/zinc/73/01/94/1362730194.db2.gz VNBVAXFOBMHYOH-HXUWFJFHSA-N 1 3 345.531 2.986 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCCN1C ZINC001401378530 1362730468 /nfs/dbraw/zinc/73/04/68/1362730468.db2.gz PNPYQSIYLQWVDU-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCCN1C ZINC001401378530 1362730470 /nfs/dbraw/zinc/73/04/70/1362730470.db2.gz PNPYQSIYLQWVDU-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCN(C)[C@H]1CCc2ccc(F)cc21)C(=O)CCC[NH+](C)C ZINC001401384716 1362738274 /nfs/dbraw/zinc/73/82/74/1362738274.db2.gz QEVFPFNOLUXONF-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@H](C)c1cccc(F)c1)[NH+](C)C ZINC001401385614 1362739658 /nfs/dbraw/zinc/73/96/58/1362739658.db2.gz KMKGVJDPAJCCRZ-CRAIPNDOSA-N 1 3 337.483 2.863 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[N@H+](C)CCCc2ccccc2)CC1 ZINC001401415697 1362777201 /nfs/dbraw/zinc/77/72/01/1362777201.db2.gz NINSHNXEYJAOOI-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[N@@H+](C)CCCc2ccccc2)CC1 ZINC001401415697 1362777205 /nfs/dbraw/zinc/77/72/05/1362777205.db2.gz NINSHNXEYJAOOI-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001401439735 1362809450 /nfs/dbraw/zinc/80/94/50/1362809450.db2.gz OKKWOSSIBSWDPQ-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001437380704 1387594744 /nfs/dbraw/zinc/59/47/44/1387594744.db2.gz MBBNOVYXZBJGPE-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001437386373 1387597484 /nfs/dbraw/zinc/59/74/84/1387597484.db2.gz ZPMVKPTTXLQDFW-CGICMKJESA-N 1 3 329.488 2.669 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)CN1CC[C@H](C)C1 ZINC001401605434 1362966290 /nfs/dbraw/zinc/96/62/90/1362966290.db2.gz SQFHVWNNQSKFKI-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769748 1363106471 /nfs/dbraw/zinc/10/64/71/1363106471.db2.gz NFGMLVGEAXJNDV-UEOUDEGLSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769748 1363106472 /nfs/dbraw/zinc/10/64/72/1363106472.db2.gz NFGMLVGEAXJNDV-UEOUDEGLSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC001401791931 1363136132 /nfs/dbraw/zinc/13/61/32/1363136132.db2.gz AAJKRCNZPDGVKY-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001401791931 1363136134 /nfs/dbraw/zinc/13/61/34/1363136134.db2.gz AAJKRCNZPDGVKY-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC001401841937 1363180176 /nfs/dbraw/zinc/18/01/76/1363180176.db2.gz MLHPBKWRTIFGBC-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H](CC)C1 ZINC001401873927 1363205132 /nfs/dbraw/zinc/20/51/32/1363205132.db2.gz MNOBYEIQHQTWPF-HKUYNNGSSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccc(Cl)cc2)CC1)N(C)C ZINC001401959237 1363276910 /nfs/dbraw/zinc/27/69/10/1363276910.db2.gz WJCBWDDIGJTKDI-FUTAKVPZSA-N 1 3 349.906 2.932 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1)N(C)C ZINC001402007013 1363325524 /nfs/dbraw/zinc/32/55/24/1363325524.db2.gz XIGLAWAKGZVEIT-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1)N(C)C ZINC001402007013 1363325526 /nfs/dbraw/zinc/32/55/26/1363325526.db2.gz XIGLAWAKGZVEIT-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)C[C@H]1C ZINC001402053340 1363362012 /nfs/dbraw/zinc/36/20/12/1363362012.db2.gz KNKJVCJGIZHXBA-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)C[C@@H]1C ZINC001402053336 1363362159 /nfs/dbraw/zinc/36/21/59/1363362159.db2.gz KNKJVCJGIZHXBA-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001402086649 1363390126 /nfs/dbraw/zinc/39/01/26/1363390126.db2.gz BVKATOXARFGSGF-LJQANCHMSA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)(C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)N1CCCCC1 ZINC001402104790 1363411796 /nfs/dbraw/zinc/41/17/96/1363411796.db2.gz RULZJOWOPXNEIF-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001402160295 1363468134 /nfs/dbraw/zinc/46/81/34/1363468134.db2.gz QTSBQUSZDFCHMH-FQEVSTJZSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001402181847 1363488697 /nfs/dbraw/zinc/48/86/97/1363488697.db2.gz ULOFOZVDVWBBKP-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001402198167 1363506843 /nfs/dbraw/zinc/50/68/43/1363506843.db2.gz GRFZCFUYBHYTSS-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccccn2)CC1 ZINC001402198167 1363506846 /nfs/dbraw/zinc/50/68/46/1363506846.db2.gz GRFZCFUYBHYTSS-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001437421454 1387630385 /nfs/dbraw/zinc/63/03/85/1387630385.db2.gz MXKJBRMVIMNPEI-CQSZACIVSA-N 1 3 334.508 2.961 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC23CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC001402240722 1363561397 /nfs/dbraw/zinc/56/13/97/1363561397.db2.gz UMRYQWWNJUYWSN-SFHVURJKSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001402313561 1363600603 /nfs/dbraw/zinc/60/06/03/1363600603.db2.gz NLGSYGYOLAUVSE-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)c1 ZINC001402318000 1363602300 /nfs/dbraw/zinc/60/23/00/1363602300.db2.gz RXGJVTYTYALKTR-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CCCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001402319794 1363603081 /nfs/dbraw/zinc/60/30/81/1363603081.db2.gz UHBHNDSPXFSUKM-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001402371197 1363629874 /nfs/dbraw/zinc/62/98/74/1363629874.db2.gz HAQBFDMYYVINEE-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402384958 1363642574 /nfs/dbraw/zinc/64/25/74/1363642574.db2.gz CKWWHJOMLTURNE-WKJNPJQJSA-N 1 3 348.318 2.616 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001402407164 1363666084 /nfs/dbraw/zinc/66/60/84/1363666084.db2.gz NMRKFBWNBCOHPW-SKHCZCESSA-N 1 3 341.927 2.785 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001402426084 1363685213 /nfs/dbraw/zinc/68/52/13/1363685213.db2.gz XDXKFDYJWSFOHA-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1 ZINC001402426084 1363685216 /nfs/dbraw/zinc/68/52/16/1363685216.db2.gz XDXKFDYJWSFOHA-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)cc1F ZINC001402581101 1363809821 /nfs/dbraw/zinc/80/98/21/1363809821.db2.gz DZLDRGFVJAQGQQ-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1 ZINC001402606327 1363829826 /nfs/dbraw/zinc/82/98/26/1363829826.db2.gz GCETUMUHCYJITR-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OC)c2)CC1 ZINC001402606327 1363829828 /nfs/dbraw/zinc/82/98/28/1363829828.db2.gz GCETUMUHCYJITR-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001402633268 1363862408 /nfs/dbraw/zinc/86/24/08/1363862408.db2.gz AZYBXISEVWNJHP-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001402633268 1363862412 /nfs/dbraw/zinc/86/24/12/1363862412.db2.gz AZYBXISEVWNJHP-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001402682351 1363932027 /nfs/dbraw/zinc/93/20/27/1363932027.db2.gz PBQHWEGXGTXRRH-ZWKOTPCHSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001402682351 1363932032 /nfs/dbraw/zinc/93/20/32/1363932032.db2.gz PBQHWEGXGTXRRH-ZWKOTPCHSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001402779771 1364027592 /nfs/dbraw/zinc/02/75/92/1364027592.db2.gz GLLUKOBQBCBVHJ-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001402835065 1364080017 /nfs/dbraw/zinc/08/00/17/1364080017.db2.gz JYOAMNSTKGZYFX-GRDNDAEWSA-N 1 3 337.895 2.980 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001402867715 1364101584 /nfs/dbraw/zinc/10/15/84/1364101584.db2.gz GNUUKNPEWYZXSL-FQEVSTJZSA-N 1 3 343.515 2.988 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)[C@@H](C)C1 ZINC001402965541 1364166830 /nfs/dbraw/zinc/16/68/30/1364166830.db2.gz QTEPRNMAAOGDEO-PKOBYXMFSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)C1 ZINC001402965541 1364166834 /nfs/dbraw/zinc/16/68/34/1364166834.db2.gz QTEPRNMAAOGDEO-PKOBYXMFSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001403051998 1364256187 /nfs/dbraw/zinc/25/61/87/1364256187.db2.gz QPIFFQPXOPMWQH-OAHLLOKOSA-N 1 3 343.471 2.759 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)CCC1 ZINC001437469850 1387672503 /nfs/dbraw/zinc/67/25/03/1387672503.db2.gz AHMPRYWYTJUOQT-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@@H]2CCCc3ccc(F)cc32)CCC1 ZINC001437469850 1387672505 /nfs/dbraw/zinc/67/25/05/1387672505.db2.gz AHMPRYWYTJUOQT-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@H]2CCCc3ccc(F)cc32)CCC1 ZINC001437469852 1387672952 /nfs/dbraw/zinc/67/29/52/1387672952.db2.gz AHMPRYWYTJUOQT-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@H]2CCCc3ccc(F)cc32)CCC1 ZINC001437469852 1387672964 /nfs/dbraw/zinc/67/29/64/1387672964.db2.gz AHMPRYWYTJUOQT-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO COc1cccc(CN(C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1C ZINC001403128787 1364341382 /nfs/dbraw/zinc/34/13/82/1364341382.db2.gz KREAUUDCNNOJGP-KXBFYZLASA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403192866 1364420012 /nfs/dbraw/zinc/42/00/12/1364420012.db2.gz KBOJLFIFVQDNFR-SFHVURJKSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001403213804 1364439378 /nfs/dbraw/zinc/43/93/78/1364439378.db2.gz JANOYIPRUNGJBS-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001403241947 1364455051 /nfs/dbraw/zinc/45/50/51/1364455051.db2.gz LSVILBJSSPQTEC-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)CCCF)C2)c1 ZINC001403321404 1364538886 /nfs/dbraw/zinc/53/88/86/1364538886.db2.gz IYYXBKHBIDXIIC-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CCCF)C2)c1 ZINC001403321404 1364538890 /nfs/dbraw/zinc/53/88/90/1364538890.db2.gz IYYXBKHBIDXIIC-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C2CC2)C1)N(C)C ZINC001403362331 1364574106 /nfs/dbraw/zinc/57/41/06/1364574106.db2.gz YZNXKVIWLDFRFO-YWZLYKJASA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001403404681 1364609327 /nfs/dbraw/zinc/60/93/27/1364609327.db2.gz HGYREFRJOLPOMO-DOMZBBRYSA-N 1 3 345.940 2.972 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001403528574 1364734719 /nfs/dbraw/zinc/73/47/19/1364734719.db2.gz OTKYDCPUJKSZMX-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001403536603 1364741285 /nfs/dbraw/zinc/74/12/85/1364741285.db2.gz VJZIJJBZBXLBOL-VQTJNVASSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001403556284 1364758084 /nfs/dbraw/zinc/75/80/84/1364758084.db2.gz OSBQKEBFJYOQDI-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001403579789 1364782094 /nfs/dbraw/zinc/78/20/94/1364782094.db2.gz VVWBUIHOCGKICR-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001403579789 1364782099 /nfs/dbraw/zinc/78/20/99/1364782099.db2.gz VVWBUIHOCGKICR-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001403596171 1364799762 /nfs/dbraw/zinc/79/97/62/1364799762.db2.gz JFEWEWAHTFUTLX-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)[C@H]1CCc2c1cccc2F ZINC001403703241 1364875761 /nfs/dbraw/zinc/87/57/61/1364875761.db2.gz ONBRCTFLYYFPFG-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C[C@@H]1C ZINC001403737493 1364892586 /nfs/dbraw/zinc/89/25/86/1364892586.db2.gz BJKNUXZUEPARRO-YJBOKZPZSA-N 1 3 335.467 2.577 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001403757960 1364907001 /nfs/dbraw/zinc/90/70/01/1364907001.db2.gz RNOCBPJHDRLXKI-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@@H]1C ZINC001403757988 1364907154 /nfs/dbraw/zinc/90/71/54/1364907154.db2.gz RNOCBPJHDRLXKI-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC001403765731 1364913988 /nfs/dbraw/zinc/91/39/88/1364913988.db2.gz JAQAYPYTWHXQLW-MAUKXSAKSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)[C@H]1C ZINC001403772720 1364921910 /nfs/dbraw/zinc/92/19/10/1364921910.db2.gz QDJBZCODFHQKCO-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001403773872 1364923228 /nfs/dbraw/zinc/92/32/28/1364923228.db2.gz ZSXBHPRVUIZSGC-VQIMIIECSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)c1ccc([C@@H](C)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001403773872 1364923232 /nfs/dbraw/zinc/92/32/32/1364923232.db2.gz ZSXBHPRVUIZSGC-VQIMIIECSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001403813271 1364968318 /nfs/dbraw/zinc/96/83/18/1364968318.db2.gz NORVQXWWZDONIZ-APWZRJJASA-N 1 3 331.504 2.892 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CCc1ccc(C)cc1 ZINC001403955068 1365098958 /nfs/dbraw/zinc/09/89/58/1365098958.db2.gz XOUJPECGVKYXBG-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CCc1ccc(C)cc1 ZINC001403955068 1365098961 /nfs/dbraw/zinc/09/89/61/1365098961.db2.gz XOUJPECGVKYXBG-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001404016220 1365170694 /nfs/dbraw/zinc/17/06/94/1365170694.db2.gz KCXNAWPYIISFAR-ABHNRTSZSA-N 1 3 335.467 2.575 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001404070169 1365229768 /nfs/dbraw/zinc/22/97/68/1365229768.db2.gz FDHVOIBAVYYNMI-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001404070169 1365229771 /nfs/dbraw/zinc/22/97/71/1365229771.db2.gz FDHVOIBAVYYNMI-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404071444 1365230588 /nfs/dbraw/zinc/23/05/88/1365230588.db2.gz QVXFKUPOUFVWRW-HZPDHXFCSA-N 1 3 347.478 2.667 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001404072321 1365231495 /nfs/dbraw/zinc/23/14/95/1365231495.db2.gz FTRBGUILUUFQGA-WLTZFMEZSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001404072321 1365231498 /nfs/dbraw/zinc/23/14/98/1365231498.db2.gz FTRBGUILUUFQGA-WLTZFMEZSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001404076904 1365236803 /nfs/dbraw/zinc/23/68/03/1365236803.db2.gz WDYZFJWNDKGTAN-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001404096007 1365257027 /nfs/dbraw/zinc/25/70/27/1365257027.db2.gz RERJQXJGSWMRTF-KRWDZBQOSA-N 1 3 349.494 2.742 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001404096007 1365257030 /nfs/dbraw/zinc/25/70/30/1365257030.db2.gz RERJQXJGSWMRTF-KRWDZBQOSA-N 1 3 349.494 2.742 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001404106192 1365266721 /nfs/dbraw/zinc/26/67/21/1365266721.db2.gz WYISRZYRJVJYAF-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001404106192 1365266726 /nfs/dbraw/zinc/26/67/26/1365266726.db2.gz WYISRZYRJVJYAF-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001437525284 1387729894 /nfs/dbraw/zinc/72/98/94/1387729894.db2.gz ZOCOLIHCZBZQMT-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001437525284 1387729901 /nfs/dbraw/zinc/72/99/01/1387729901.db2.gz ZOCOLIHCZBZQMT-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001404233865 1365377796 /nfs/dbraw/zinc/37/77/96/1365377796.db2.gz FUHVFLFLFAYQCL-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001404233865 1365377799 /nfs/dbraw/zinc/37/77/99/1365377799.db2.gz FUHVFLFLFAYQCL-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(CN(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)cc1C ZINC001404264761 1365411501 /nfs/dbraw/zinc/41/15/01/1365411501.db2.gz PLYSTVNOOVGKSW-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CCC2)c2ccccc2)CCC1 ZINC001404367195 1365476399 /nfs/dbraw/zinc/47/63/99/1365476399.db2.gz BYLIEYKLMXKWQN-SFHVURJKSA-N 1 3 329.488 2.718 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC001404502678 1365605486 /nfs/dbraw/zinc/60/54/86/1365605486.db2.gz UTVOBTLOAYYTGU-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC001404502678 1365605488 /nfs/dbraw/zinc/60/54/88/1365605488.db2.gz UTVOBTLOAYYTGU-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404671820 1365756361 /nfs/dbraw/zinc/75/63/61/1365756361.db2.gz UMRXRPTWHVEZPB-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001437570099 1387781017 /nfs/dbraw/zinc/78/10/17/1387781017.db2.gz NOFYOHQOSXBBNN-UXHICEINSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001437570099 1387781021 /nfs/dbraw/zinc/78/10/21/1387781021.db2.gz NOFYOHQOSXBBNN-UXHICEINSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405139357 1366051588 /nfs/dbraw/zinc/05/15/88/1366051588.db2.gz DUOADCJGNTUNIL-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405139357 1366051592 /nfs/dbraw/zinc/05/15/92/1366051592.db2.gz DUOADCJGNTUNIL-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001405367619 1366165241 /nfs/dbraw/zinc/16/52/41/1366165241.db2.gz IOTPGYJPIVINPB-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC001405599138 1366311189 /nfs/dbraw/zinc/31/11/89/1366311189.db2.gz UAPDUPNUZSPFJE-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001405621874 1366314877 /nfs/dbraw/zinc/31/48/77/1366314877.db2.gz FIQPWCZQQOEJED-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001405621874 1366314879 /nfs/dbraw/zinc/31/48/79/1366314879.db2.gz FIQPWCZQQOEJED-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001405659450 1366326185 /nfs/dbraw/zinc/32/61/85/1366326185.db2.gz AACSKDAXGSTYPG-KXBFYZLASA-N 1 3 345.487 2.861 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001405665139 1366327658 /nfs/dbraw/zinc/32/76/58/1366327658.db2.gz HKYNHZVHYYQTHI-DLBZAZTESA-N 1 3 331.504 2.882 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C(=O)Cc1c[nH]cn1 ZINC001405871040 1366479595 /nfs/dbraw/zinc/47/95/95/1366479595.db2.gz IWGVKZJTAUUMRJ-HNNXBMFYSA-N 1 3 342.487 2.886 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001405872032 1366480674 /nfs/dbraw/zinc/48/06/74/1366480674.db2.gz PKCCGDZLWFXKNY-LBPRGKRZSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001405976885 1367039027 /nfs/dbraw/zinc/03/90/27/1367039027.db2.gz RIEQYDSFNQGBFQ-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001437625951 1387852318 /nfs/dbraw/zinc/85/23/18/1387852318.db2.gz MPUIKDYEWLAJCL-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001437625951 1387852327 /nfs/dbraw/zinc/85/23/27/1387852327.db2.gz MPUIKDYEWLAJCL-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)C)N(C)C ZINC001406061595 1367163660 /nfs/dbraw/zinc/16/36/60/1367163660.db2.gz HTMXOOVIQFNETG-ROUUACIJSA-N 1 3 337.483 2.705 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001406125345 1367274900 /nfs/dbraw/zinc/27/49/00/1367274900.db2.gz NHDLWWXWLBUQMW-RTBURBONSA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001406125345 1367274906 /nfs/dbraw/zinc/27/49/06/1367274906.db2.gz NHDLWWXWLBUQMW-RTBURBONSA-N 1 3 329.488 2.548 20 0 EFADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc2ccccc2c1 ZINC001406170039 1367361725 /nfs/dbraw/zinc/36/17/25/1367361725.db2.gz WYFVVIDMMJIETH-FQEVSTJZSA-N 1 3 339.483 2.682 20 0 EFADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc2ccccc2c1 ZINC001406170039 1367361730 /nfs/dbraw/zinc/36/17/30/1367361730.db2.gz WYFVVIDMMJIETH-FQEVSTJZSA-N 1 3 339.483 2.682 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1 ZINC001406171515 1367362867 /nfs/dbraw/zinc/36/28/67/1367362867.db2.gz PFDMVSLXDJUOGV-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC001406171515 1367362875 /nfs/dbraw/zinc/36/28/75/1367362875.db2.gz PFDMVSLXDJUOGV-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001406300689 1367452885 /nfs/dbraw/zinc/45/28/85/1367452885.db2.gz AGYRCLBVYQUUSA-PBHICJAKSA-N 1 3 328.460 2.896 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001406422282 1367572260 /nfs/dbraw/zinc/57/22/60/1367572260.db2.gz PMSDWYAGSLLFEZ-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406678829 1367909019 /nfs/dbraw/zinc/90/90/19/1367909019.db2.gz AQICHHQTYDKUDR-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406678829 1367909023 /nfs/dbraw/zinc/90/90/23/1367909023.db2.gz AQICHHQTYDKUDR-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406678850 1367909523 /nfs/dbraw/zinc/90/95/23/1367909523.db2.gz AQICHHQTYDKUDR-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406678850 1367909526 /nfs/dbraw/zinc/90/95/26/1367909526.db2.gz AQICHHQTYDKUDR-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001406685333 1367920543 /nfs/dbraw/zinc/92/05/43/1367920543.db2.gz XDDXTCXYEBKWEO-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001406685333 1367920550 /nfs/dbraw/zinc/92/05/50/1367920550.db2.gz XDDXTCXYEBKWEO-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001406722477 1367970838 /nfs/dbraw/zinc/97/08/38/1367970838.db2.gz PQYAMOVPJJOTSW-RBUKOAKNSA-N 1 3 343.515 2.936 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001406884915 1368165985 /nfs/dbraw/zinc/16/59/85/1368165985.db2.gz NZVGZUTXKGPVAI-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001406884915 1368165991 /nfs/dbraw/zinc/16/59/91/1368165991.db2.gz NZVGZUTXKGPVAI-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]CCc2cccs2)CC1)N1CCCCCC1 ZINC001406970741 1368260457 /nfs/dbraw/zinc/26/04/57/1368260457.db2.gz BTXHLZBVPLMPGV-MRXNPFEDSA-N 1 3 349.544 2.794 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1 ZINC001406974737 1368266866 /nfs/dbraw/zinc/26/68/66/1368266866.db2.gz IPKBGNCPCNKAAT-GOSISDBHSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001407078181 1368400572 /nfs/dbraw/zinc/40/05/72/1368400572.db2.gz AWCSQAMTCAEEHW-JKSUJKDBSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001407124316 1368455001 /nfs/dbraw/zinc/45/50/01/1368455001.db2.gz UWMGCNGLPJRZFK-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407263256 1368670994 /nfs/dbraw/zinc/67/09/94/1368670994.db2.gz KSMURKFDMKTCJH-FQEVSTJZSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001407272611 1368685221 /nfs/dbraw/zinc/68/52/21/1368685221.db2.gz WGEDJAOWTOKLSB-HXUWFJFHSA-N 1 3 349.494 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001437726671 1387976110 /nfs/dbraw/zinc/97/61/10/1387976110.db2.gz RIHAOPLXRFMBNM-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001437726671 1387976112 /nfs/dbraw/zinc/97/61/12/1387976112.db2.gz RIHAOPLXRFMBNM-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CCC1)N(C)C ZINC001407830229 1369283449 /nfs/dbraw/zinc/28/34/49/1369283449.db2.gz NCXCZQSWBILPDS-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001407919277 1369398304 /nfs/dbraw/zinc/39/83/04/1369398304.db2.gz NPBABTACJBJJDE-ABMFHFBKSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001407919277 1369398310 /nfs/dbraw/zinc/39/83/10/1369398310.db2.gz NPBABTACJBJJDE-ABMFHFBKSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)N1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001408059325 1369572235 /nfs/dbraw/zinc/57/22/35/1369572235.db2.gz SJQBAACMGUNMAE-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001408170448 1369673681 /nfs/dbraw/zinc/67/36/81/1369673681.db2.gz DMWIDAKROTYQKN-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)cc1F ZINC001408197938 1369704846 /nfs/dbraw/zinc/70/48/46/1369704846.db2.gz JEOSHJPMFOPYMS-HNNXBMFYSA-N 1 3 335.467 2.603 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001408345726 1369855306 /nfs/dbraw/zinc/85/53/06/1369855306.db2.gz WWTXFFSZBNRELH-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001408345726 1369855319 /nfs/dbraw/zinc/85/53/19/1369855319.db2.gz WWTXFFSZBNRELH-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001408353966 1369864497 /nfs/dbraw/zinc/86/44/97/1369864497.db2.gz IJGFBKRKWGKYNP-CEAGRCCXSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C\c1ccccc1)N(C)C ZINC001408353966 1369864500 /nfs/dbraw/zinc/86/45/00/1369864500.db2.gz IJGFBKRKWGKYNP-CEAGRCCXSA-N 1 3 343.515 2.963 20 0 EFADHO Cc1ccc(C)c(CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C2CC2)c1 ZINC001437787259 1388070694 /nfs/dbraw/zinc/07/06/94/1388070694.db2.gz WQWHCOVWOHTAIG-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C2CC2)c1 ZINC001437787259 1388070702 /nfs/dbraw/zinc/07/07/02/1388070702.db2.gz WQWHCOVWOHTAIG-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552481 1370430443 /nfs/dbraw/zinc/43/04/43/1370430443.db2.gz HNCYSLXAEPTWNZ-MJGOQNOKSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552481 1370430450 /nfs/dbraw/zinc/43/04/50/1370430450.db2.gz HNCYSLXAEPTWNZ-MJGOQNOKSA-N 1 3 346.519 2.599 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1C)[N@H+](C)Cc1ccccc1 ZINC001414567579 1370452689 /nfs/dbraw/zinc/45/26/89/1370452689.db2.gz AODKLTOHUWOQET-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1CCCCN1C)[N@@H+](C)Cc1ccccc1 ZINC001414567579 1370452691 /nfs/dbraw/zinc/45/26/91/1370452691.db2.gz AODKLTOHUWOQET-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001417765841 1373229606 /nfs/dbraw/zinc/22/96/06/1373229606.db2.gz VQCPAEXZKIICKC-RLFYNMQTSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001417770750 1373234799 /nfs/dbraw/zinc/23/47/99/1373234799.db2.gz TUNDPEQAHBQFRE-YSGRDPCXSA-N 1 3 343.515 2.630 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001417775922 1373241318 /nfs/dbraw/zinc/24/13/18/1373241318.db2.gz VRFNPDLGUMNUKI-RHNCMZPLSA-N 1 3 340.471 2.508 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001417786174 1373252120 /nfs/dbraw/zinc/25/21/20/1373252120.db2.gz DTOFWFMJIKNRIT-UAPYVXQJSA-N 1 3 343.515 2.772 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cncc(C)c1 ZINC001417890807 1373378256 /nfs/dbraw/zinc/37/82/56/1373378256.db2.gz ICGRTHZKUOTJDJ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001417893757 1373381222 /nfs/dbraw/zinc/38/12/22/1373381222.db2.gz ZIFTWRYQRGNIPQ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001417949703 1373440860 /nfs/dbraw/zinc/44/08/60/1373440860.db2.gz SFUZYHNNDVYJRC-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H](NCC=C(Cl)Cl)C2CC2)CC1 ZINC001417996836 1373502047 /nfs/dbraw/zinc/50/20/47/1373502047.db2.gz FKYZEYMBBCLECI-AWEZNQCLSA-N 1 3 348.318 2.522 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001418030802 1373545613 /nfs/dbraw/zinc/54/56/13/1373545613.db2.gz FYUHKFOPDUHGLT-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001418030802 1373545619 /nfs/dbraw/zinc/54/56/19/1373545619.db2.gz FYUHKFOPDUHGLT-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001418141004 1373667589 /nfs/dbraw/zinc/66/75/89/1373667589.db2.gz WTWAMWFNNBSXSJ-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001418141004 1373667594 /nfs/dbraw/zinc/66/75/94/1373667594.db2.gz WTWAMWFNNBSXSJ-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175034 1373731667 /nfs/dbraw/zinc/73/16/67/1373731667.db2.gz NJSLTIGARAWRKZ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175034 1373731671 /nfs/dbraw/zinc/73/16/71/1373731671.db2.gz NJSLTIGARAWRKZ-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175021 1373732406 /nfs/dbraw/zinc/73/24/06/1373732406.db2.gz NJSLTIGARAWRKZ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H]([NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001418234260 1373788722 /nfs/dbraw/zinc/78/87/22/1373788722.db2.gz KJQCECIUEVHISW-PBHICJAKSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418267755 1373834861 /nfs/dbraw/zinc/83/48/61/1373834861.db2.gz FWTNWEJPWYXTIT-WMLDXEAASA-N 1 3 339.911 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001418296157 1373871016 /nfs/dbraw/zinc/87/10/16/1373871016.db2.gz ANUOKUGPNXFUHE-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001418360636 1373933889 /nfs/dbraw/zinc/93/38/89/1373933889.db2.gz OTAPAKCVKMOBNL-MSOLQXFVSA-N 1 3 335.467 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)CCC1 ZINC001418367896 1373941964 /nfs/dbraw/zinc/94/19/64/1373941964.db2.gz QAHODWIOYGFKQJ-IAGOWNOFSA-N 1 3 347.478 2.827 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001418376845 1373955460 /nfs/dbraw/zinc/95/54/60/1373955460.db2.gz ORRGLINVDSAIBP-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001418376845 1373955465 /nfs/dbraw/zinc/95/54/65/1373955465.db2.gz ORRGLINVDSAIBP-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001418429267 1374014401 /nfs/dbraw/zinc/01/44/01/1374014401.db2.gz NBFBXKAWMQQZGP-CYBMUJFWSA-N 1 3 348.878 2.641 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2c(C)cccc2C)C1 ZINC001418487505 1374083151 /nfs/dbraw/zinc/08/31/51/1374083151.db2.gz KYURYUUOLJCDFZ-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2c(C)cccc2C)C1 ZINC001418487505 1374083162 /nfs/dbraw/zinc/08/31/62/1374083162.db2.gz KYURYUUOLJCDFZ-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC001418492318 1374087710 /nfs/dbraw/zinc/08/77/10/1374087710.db2.gz CDKAVLZXSFTIMI-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H](C(=O)NCCN(C)Cc1ccc(CF)cc1)[NH+]1CCCCCC1 ZINC001418504909 1374104145 /nfs/dbraw/zinc/10/41/45/1374104145.db2.gz UKBMHLIJTQENFO-KRWDZBQOSA-N 1 3 349.494 2.969 20 0 EFADHO C[C@H](C(=O)NCCN(C)Cc1ccc(CF)cc1)[NH+]1CCCCCC1 ZINC001418504916 1374105578 /nfs/dbraw/zinc/10/55/78/1374105578.db2.gz UKBMHLIJTQENFO-QGZVFWFLSA-N 1 3 349.494 2.969 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CCC1CCCCCC1)N(C)C ZINC001418516489 1374120713 /nfs/dbraw/zinc/12/07/13/1374120713.db2.gz QHRPUOCVMOWANA-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC1CCCCCC1)N(C)C ZINC001418516489 1374120714 /nfs/dbraw/zinc/12/07/14/1374120714.db2.gz QHRPUOCVMOWANA-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C(F)F)cc1 ZINC001418538840 1374149025 /nfs/dbraw/zinc/14/90/25/1374149025.db2.gz GKSMFJBJIYVLNY-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C(F)F)cc1 ZINC001418538840 1374149026 /nfs/dbraw/zinc/14/90/26/1374149026.db2.gz GKSMFJBJIYVLNY-INIZCTEOSA-N 1 3 339.430 2.657 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc2ncccc2c1)N(C)C ZINC001418552671 1374169267 /nfs/dbraw/zinc/16/92/67/1374169267.db2.gz UEUFEIXEOLKIEG-LJQANCHMSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc2ncccc2c1)N(C)C ZINC001418552671 1374169271 /nfs/dbraw/zinc/16/92/71/1374169271.db2.gz UEUFEIXEOLKIEG-LJQANCHMSA-N 1 3 342.487 2.513 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)C/C=C\Cl)C2)c1 ZINC001437990439 1388302884 /nfs/dbraw/zinc/30/28/84/1388302884.db2.gz NEIYOVJBFHHOLB-VWTAQGJOSA-N 1 3 349.906 2.895 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)C/C=C\Cl)C2)c1 ZINC001437990439 1388302893 /nfs/dbraw/zinc/30/28/93/1388302893.db2.gz NEIYOVJBFHHOLB-VWTAQGJOSA-N 1 3 349.906 2.895 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CCc2c1cccc2F ZINC001418572965 1374206203 /nfs/dbraw/zinc/20/62/03/1374206203.db2.gz PDERNVCYEJUOKG-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@H]1CCc2c1cccc2F ZINC001418572965 1374206215 /nfs/dbraw/zinc/20/62/15/1374206215.db2.gz PDERNVCYEJUOKG-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1cccc(F)c1 ZINC001418579840 1374218737 /nfs/dbraw/zinc/21/87/37/1374218737.db2.gz DCUPHDOELQPTII-UHFFFAOYSA-N 1 3 335.467 2.640 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001418595357 1374243882 /nfs/dbraw/zinc/24/38/82/1374243882.db2.gz URURSZUGUDNRNB-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001418595356 1374244665 /nfs/dbraw/zinc/24/46/65/1374244665.db2.gz URURSZUGUDNRNB-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001418627597 1374289107 /nfs/dbraw/zinc/28/91/07/1374289107.db2.gz GJACRAULBURKMQ-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1)[NH+](C)C ZINC001418634748 1374301027 /nfs/dbraw/zinc/30/10/27/1374301027.db2.gz WZZKCLFGMJFRRL-RTBURBONSA-N 1 3 349.494 2.823 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001418646644 1374317014 /nfs/dbraw/zinc/31/70/14/1374317014.db2.gz KPOFYJUXRZCALP-ILRDRHFLSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418656290 1374328413 /nfs/dbraw/zinc/32/84/13/1374328413.db2.gz HDHZPWMQVFUSFI-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418656290 1374328418 /nfs/dbraw/zinc/32/84/18/1374328418.db2.gz HDHZPWMQVFUSFI-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001418673757 1374351030 /nfs/dbraw/zinc/35/10/30/1374351030.db2.gz PCFLXRMGBZCZNS-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001418673757 1374351034 /nfs/dbraw/zinc/35/10/34/1374351034.db2.gz PCFLXRMGBZCZNS-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\c3ccccc3)C2)CCC1 ZINC001418682580 1374364273 /nfs/dbraw/zinc/36/42/73/1374364273.db2.gz LYTMZSACNOWQAP-DZPBPQJMSA-N 1 3 341.499 2.669 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001418690177 1374373158 /nfs/dbraw/zinc/37/31/58/1374373158.db2.gz NHGYLGBWBJIRRF-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001418690177 1374373162 /nfs/dbraw/zinc/37/31/62/1374373162.db2.gz NHGYLGBWBJIRRF-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001418693342 1374376767 /nfs/dbraw/zinc/37/67/67/1374376767.db2.gz TXFLHQHWQXWFDM-INIZCTEOSA-N 1 3 343.471 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001418693342 1374376771 /nfs/dbraw/zinc/37/67/71/1374376771.db2.gz TXFLHQHWQXWFDM-INIZCTEOSA-N 1 3 343.471 2.713 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1F ZINC001418700572 1374385869 /nfs/dbraw/zinc/38/58/69/1374385869.db2.gz HQKOYTOSIWBRNC-ZHALLVOQSA-N 1 3 349.494 2.705 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC001418702790 1374388122 /nfs/dbraw/zinc/38/81/22/1374388122.db2.gz LZLSZLCWMVJSKX-JOCQHMNTSA-N 1 3 343.924 2.728 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C1CC1)[C@H]1CCc2c1cccc2F ZINC001418787578 1374501489 /nfs/dbraw/zinc/50/14/89/1374501489.db2.gz BXBJJCVAKBAAJO-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C1CC1)[C@H]1CCc2c1cccc2F ZINC001418787578 1374501491 /nfs/dbraw/zinc/50/14/91/1374501491.db2.gz BXBJJCVAKBAAJO-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCc1cccc(C[N@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001418790713 1374506196 /nfs/dbraw/zinc/50/61/96/1374506196.db2.gz XSUSNDVEFMLRME-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[N@@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001418790713 1374506199 /nfs/dbraw/zinc/50/61/99/1374506199.db2.gz XSUSNDVEFMLRME-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799069 1374518055 /nfs/dbraw/zinc/51/80/55/1374518055.db2.gz SSVZTEXYUBQKNR-GDBMZVCRSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799069 1374518059 /nfs/dbraw/zinc/51/80/59/1374518059.db2.gz SSVZTEXYUBQKNR-GDBMZVCRSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001418807255 1374528425 /nfs/dbraw/zinc/52/84/25/1374528425.db2.gz JIANYTUAZXNBRX-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccccc1 ZINC001418852680 1374577341 /nfs/dbraw/zinc/57/73/41/1374577341.db2.gz JHPLLSIZLHRIQB-QRQLOZEOSA-N 1 3 329.488 2.765 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)c1ccccc1 ZINC001418852680 1374577343 /nfs/dbraw/zinc/57/73/43/1374577343.db2.gz JHPLLSIZLHRIQB-QRQLOZEOSA-N 1 3 329.488 2.765 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418900111 1374656408 /nfs/dbraw/zinc/65/64/08/1374656408.db2.gz DEFGXBDYMANCNH-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418900111 1374656410 /nfs/dbraw/zinc/65/64/10/1374656410.db2.gz DEFGXBDYMANCNH-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC[C@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001418907710 1374670989 /nfs/dbraw/zinc/67/09/89/1374670989.db2.gz VLFVDFXSUJJCFW-ICFOYXHFSA-N 1 3 341.927 2.688 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001418940925 1374712002 /nfs/dbraw/zinc/71/20/02/1374712002.db2.gz PZCWAWMAMVQTPJ-ADKAHSJRSA-N 1 3 337.552 2.791 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001418940925 1374712006 /nfs/dbraw/zinc/71/20/06/1374712006.db2.gz PZCWAWMAMVQTPJ-ADKAHSJRSA-N 1 3 337.552 2.791 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001418940927 1374712460 /nfs/dbraw/zinc/71/24/60/1374712460.db2.gz PZCWAWMAMVQTPJ-LXPRWKDFSA-N 1 3 337.552 2.791 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001418940927 1374712461 /nfs/dbraw/zinc/71/24/61/1374712461.db2.gz PZCWAWMAMVQTPJ-LXPRWKDFSA-N 1 3 337.552 2.791 20 0 EFADHO Cc1ccccc1[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001419052384 1374792860 /nfs/dbraw/zinc/79/28/60/1374792860.db2.gz AEZYEZQAYDMXOU-BZSNNMDCSA-N 1 3 329.488 2.683 20 0 EFADHO Cc1ccccc1[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001419052386 1374793512 /nfs/dbraw/zinc/79/35/12/1374793512.db2.gz AEZYEZQAYDMXOU-SQNIBIBYSA-N 1 3 329.488 2.683 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC1 ZINC001419062117 1374803001 /nfs/dbraw/zinc/80/30/01/1374803001.db2.gz JVOIANRDEYNVOK-SFHVURJKSA-N 1 3 341.499 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1 ZINC001419076548 1374816516 /nfs/dbraw/zinc/81/65/16/1374816516.db2.gz IWFTZQBWKGHQON-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001419095234 1374837310 /nfs/dbraw/zinc/83/73/10/1374837310.db2.gz CQICKWQZZQUXMM-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)sc1C ZINC001419191594 1374937588 /nfs/dbraw/zinc/93/75/88/1374937588.db2.gz MIZFQBMVWNBXCH-INIZCTEOSA-N 1 3 337.533 2.834 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1sccc1Cl ZINC001419218366 1374964709 /nfs/dbraw/zinc/96/47/09/1374964709.db2.gz IVINNWBSHPRECS-ZDUSSCGKSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc(C)sc1C ZINC001419251250 1374998213 /nfs/dbraw/zinc/99/82/13/1374998213.db2.gz VPSVQZJTOKVUJD-CVEARBPZSA-N 1 3 325.522 2.690 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001419265017 1375013137 /nfs/dbraw/zinc/01/31/37/1375013137.db2.gz PUFSKRGBBBREJX-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001419270894 1375018416 /nfs/dbraw/zinc/01/84/16/1375018416.db2.gz WMDNOBPMRWCVLG-AUUYWEPGSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001419301480 1375061707 /nfs/dbraw/zinc/06/17/07/1375061707.db2.gz DYABDKMUBIMDIJ-RBUKOAKNSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccccc2C)CCCC1 ZINC001419313479 1375084862 /nfs/dbraw/zinc/08/48/62/1375084862.db2.gz HBSYDXUWQHLVSG-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001419385733 1375203107 /nfs/dbraw/zinc/20/31/07/1375203107.db2.gz JJAHWAWJKWYLEO-OALUTQOASA-N 1 3 343.515 2.639 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2Cl)C1)N(C)C ZINC001419405798 1375230959 /nfs/dbraw/zinc/23/09/59/1375230959.db2.gz IVWGRFKHHVPVFO-CKEIUWERSA-N 1 3 337.895 2.725 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001419425432 1375257132 /nfs/dbraw/zinc/25/71/32/1375257132.db2.gz VNBOPAITRBWKMG-KKUMJFAQSA-N 1 3 337.895 2.980 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001419425432 1375257135 /nfs/dbraw/zinc/25/71/35/1375257135.db2.gz VNBOPAITRBWKMG-KKUMJFAQSA-N 1 3 337.895 2.980 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001419439637 1375275337 /nfs/dbraw/zinc/27/53/37/1375275337.db2.gz QOPSHNZIYXYETD-ZHALLVOQSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C ZINC001419462762 1375305723 /nfs/dbraw/zinc/30/57/23/1375305723.db2.gz NENUUODCWMZPJX-APWZRJJASA-N 1 3 331.504 2.711 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001419470178 1375312977 /nfs/dbraw/zinc/31/29/77/1375312977.db2.gz NNDMEFXBVLLPHB-INIZCTEOSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001419471009 1375314190 /nfs/dbraw/zinc/31/41/90/1375314190.db2.gz PAQKPEBHWQHBGP-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001419527880 1375391177 /nfs/dbraw/zinc/39/11/77/1375391177.db2.gz NWEJMELFUNNMNO-AWEZNQCLSA-N 1 3 342.487 2.728 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001419606085 1375526022 /nfs/dbraw/zinc/52/60/22/1375526022.db2.gz KEUOYABSVIGIPW-IZIDJEDMSA-N 1 3 327.900 2.630 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001419626656 1375577027 /nfs/dbraw/zinc/57/70/27/1375577027.db2.gz MIXALXHWXURQEV-GCZRAQGHSA-N 1 3 341.927 2.832 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](CC)c3ccc(F)cc3)C[C@H]21)N(C)C ZINC001419663623 1375662401 /nfs/dbraw/zinc/66/24/01/1375662401.db2.gz YEAGCMZDRKPLGX-XCDZQEORSA-N 1 3 347.478 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](CC)c3ccc(F)cc3)C[C@H]21)N(C)C ZINC001419663623 1375662406 /nfs/dbraw/zinc/66/24/06/1375662406.db2.gz YEAGCMZDRKPLGX-XCDZQEORSA-N 1 3 347.478 2.663 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001419663220 1375663138 /nfs/dbraw/zinc/66/31/38/1375663138.db2.gz CMDOVXYWNYMNMD-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419665695 1375667569 /nfs/dbraw/zinc/66/75/69/1375667569.db2.gz JDAJQEFBIOCJHA-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419667149 1375670562 /nfs/dbraw/zinc/67/05/62/1375670562.db2.gz NOTWYIAXJWFLDO-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)[C@H]1CCCN1C ZINC001419702539 1375741340 /nfs/dbraw/zinc/74/13/40/1375741340.db2.gz NZDLZPLADRLKTK-OXJNMPFZSA-N 1 3 339.483 2.871 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001419775918 1375858167 /nfs/dbraw/zinc/85/81/67/1375858167.db2.gz MEUZATDVAYNKBQ-FUHWJXTLSA-N 1 3 343.515 2.685 20 0 EFADHO Cc1ncccc1CN[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001419805698 1375912485 /nfs/dbraw/zinc/91/24/85/1375912485.db2.gz JWPLBGSDRFJFQB-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1CN[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001419805698 1375912490 /nfs/dbraw/zinc/91/24/90/1375912490.db2.gz JWPLBGSDRFJFQB-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001419816031 1375928615 /nfs/dbraw/zinc/92/86/15/1375928615.db2.gz IGCOHBDVRCYVBD-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(F)(F)C1 ZINC001419933310 1376150225 /nfs/dbraw/zinc/15/02/25/1376150225.db2.gz UZPHAQAKWYLQTG-CYBMUJFWSA-N 1 3 339.430 2.501 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001419967072 1376203303 /nfs/dbraw/zinc/20/33/03/1376203303.db2.gz OSOGKYZXISTVSQ-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001419967072 1376203309 /nfs/dbraw/zinc/20/33/09/1376203309.db2.gz OSOGKYZXISTVSQ-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1C ZINC001419987612 1376238796 /nfs/dbraw/zinc/23/87/96/1376238796.db2.gz NYCJVPBRPXMQFM-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1C ZINC001419992676 1376246418 /nfs/dbraw/zinc/24/64/18/1376246418.db2.gz FAGAKJVECPXPCU-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)cc1C ZINC001419992676 1376246427 /nfs/dbraw/zinc/24/64/27/1376246427.db2.gz FAGAKJVECPXPCU-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001420017688 1376290627 /nfs/dbraw/zinc/29/06/27/1376290627.db2.gz IVDDYCKCDWPAHL-SJORKVTESA-N 1 3 335.467 2.685 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C/Cl)C1CCC1 ZINC001420085433 1376439240 /nfs/dbraw/zinc/43/92/40/1376439240.db2.gz JLOOKLWYYPLIKO-LJIOFZCZSA-N 1 3 348.318 2.664 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001420230431 1376585096 /nfs/dbraw/zinc/58/50/96/1376585096.db2.gz CTVYRPOUJXUNGU-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420239355 1376597903 /nfs/dbraw/zinc/59/79/03/1376597903.db2.gz YAPXYDOZGOKORW-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001420301386 1376692167 /nfs/dbraw/zinc/69/21/67/1376692167.db2.gz VISHINLWTVHEKV-PBHICJAKSA-N 1 3 339.911 2.829 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001420301110 1376693001 /nfs/dbraw/zinc/69/30/01/1376693001.db2.gz SHMUDEWBIQGEIO-XNJGSVPQSA-N 1 3 341.446 2.706 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001420321841 1376730428 /nfs/dbraw/zinc/73/04/28/1376730428.db2.gz JXXBQBJKYCKBLW-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001420338538 1376760897 /nfs/dbraw/zinc/76/08/97/1376760897.db2.gz KRUCQVPTMAVOIE-ZIAGYGMSSA-N 1 3 337.895 2.837 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cccc(Cl)c1 ZINC001420388288 1376862055 /nfs/dbraw/zinc/86/20/55/1376862055.db2.gz SVSZNSWNHXYXGJ-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cccc(Cl)c1 ZINC001420388288 1376862060 /nfs/dbraw/zinc/86/20/60/1376862060.db2.gz SVSZNSWNHXYXGJ-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1cc(F)ccc1C ZINC001420404433 1376894268 /nfs/dbraw/zinc/89/42/68/1376894268.db2.gz VIAAZUQSICDMKX-UHFFFAOYSA-N 1 3 347.478 2.701 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001420421651 1376929820 /nfs/dbraw/zinc/92/98/20/1376929820.db2.gz KGVWWTORIGBXFH-WMZOPIPTSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccccc1C ZINC001420421651 1376929822 /nfs/dbraw/zinc/92/98/22/1376929822.db2.gz KGVWWTORIGBXFH-WMZOPIPTSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1ccc(Cl)cc1F)[NH+](C)C ZINC001420427927 1376946748 /nfs/dbraw/zinc/94/67/48/1376946748.db2.gz NEMYMAMDBYIWBQ-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(Cl)cc1 ZINC001420427501 1376947199 /nfs/dbraw/zinc/94/71/99/1376947199.db2.gz RRNPWKZJGNTWIB-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001420437599 1376973374 /nfs/dbraw/zinc/97/33/74/1376973374.db2.gz NNDWJZDVAPSSRX-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001420498056 1377084170 /nfs/dbraw/zinc/08/41/70/1377084170.db2.gz FAKDJAOGNRPBNO-INIZCTEOSA-N 1 3 327.472 2.776 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001420517504 1377118206 /nfs/dbraw/zinc/11/82/06/1377118206.db2.gz MVLHEWZHVMTUOY-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001420582639 1377248498 /nfs/dbraw/zinc/24/84/98/1377248498.db2.gz CTLKPDOIXNWABB-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001420582639 1377248505 /nfs/dbraw/zinc/24/85/05/1377248505.db2.gz CTLKPDOIXNWABB-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586424 1377256948 /nfs/dbraw/zinc/25/69/48/1377256948.db2.gz RIRUDCBMNVDSJO-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586424 1377256950 /nfs/dbraw/zinc/25/69/50/1377256950.db2.gz RIRUDCBMNVDSJO-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587840 1377260751 /nfs/dbraw/zinc/26/07/51/1377260751.db2.gz VBRMBMKFMMZFOS-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587840 1377260753 /nfs/dbraw/zinc/26/07/53/1377260753.db2.gz VBRMBMKFMMZFOS-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587843 1377261262 /nfs/dbraw/zinc/26/12/62/1377261262.db2.gz VBRMBMKFMMZFOS-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587843 1377261268 /nfs/dbraw/zinc/26/12/68/1377261268.db2.gz VBRMBMKFMMZFOS-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001420590136 1377267010 /nfs/dbraw/zinc/26/70/10/1377267010.db2.gz ZLSHOEYSWSGSOA-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001420590136 1377267015 /nfs/dbraw/zinc/26/70/15/1377267015.db2.gz ZLSHOEYSWSGSOA-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)ccc1C ZINC001420604270 1377299446 /nfs/dbraw/zinc/29/94/46/1377299446.db2.gz HMBJTBVIYUHQSQ-GOSISDBHSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)ccc1C ZINC001420604270 1377299449 /nfs/dbraw/zinc/29/94/49/1377299449.db2.gz HMBJTBVIYUHQSQ-GOSISDBHSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001420668496 1377466701 /nfs/dbraw/zinc/46/67/01/1377466701.db2.gz ZTNZOOMMSSCLCF-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001420668496 1377466702 /nfs/dbraw/zinc/46/67/02/1377466702.db2.gz ZTNZOOMMSSCLCF-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001420693675 1377518483 /nfs/dbraw/zinc/51/84/83/1377518483.db2.gz BLVOGGYYIKVOPY-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C1CC1)[C@H]1CCc2ccc(F)cc21 ZINC001420693675 1377518487 /nfs/dbraw/zinc/51/84/87/1377518487.db2.gz BLVOGGYYIKVOPY-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001438313128 1388501863 /nfs/dbraw/zinc/50/18/63/1388501863.db2.gz PXJOOXJHEHRZPA-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H](CNCc2ccccc2Cl)C2CC2)CC1 ZINC001420756199 1377603884 /nfs/dbraw/zinc/60/38/84/1377603884.db2.gz FKHYHJVEPDRVML-SFHVURJKSA-N 1 3 349.906 2.666 20 0 EFADHO CC1CC(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)c2ccccc2)C1 ZINC001420779156 1377652602 /nfs/dbraw/zinc/65/26/02/1377652602.db2.gz VFNXROQEEGYQCO-FAFZWHIHSA-N 1 3 343.515 2.964 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933026 1377900944 /nfs/dbraw/zinc/90/09/44/1377900944.db2.gz SPGRDRILZWVDCC-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933026 1377900947 /nfs/dbraw/zinc/90/09/47/1377900947.db2.gz SPGRDRILZWVDCC-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CCF)CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001420944931 1377920368 /nfs/dbraw/zinc/92/03/68/1377920368.db2.gz PDERPUQYNBMEGK-UHFFFAOYSA-N 1 3 341.515 2.781 20 0 EFADHO CN(CCF)CC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001420944931 1377920369 /nfs/dbraw/zinc/92/03/69/1377920369.db2.gz PDERPUQYNBMEGK-UHFFFAOYSA-N 1 3 341.515 2.781 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001420957342 1377938765 /nfs/dbraw/zinc/93/87/65/1377938765.db2.gz IANGYSSIXGFKAO-IAGOWNOFSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001420997939 1377998771 /nfs/dbraw/zinc/99/87/71/1377998771.db2.gz JKVYPDCZVPWTHK-ZBFHGGJFSA-N 1 3 332.492 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001421009158 1378015593 /nfs/dbraw/zinc/01/55/93/1378015593.db2.gz SZESIQSHVJXDGW-AUNFYEFLSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001421009158 1378015598 /nfs/dbraw/zinc/01/55/98/1378015598.db2.gz SZESIQSHVJXDGW-AUNFYEFLSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001421017108 1378026035 /nfs/dbraw/zinc/02/60/35/1378026035.db2.gz CMEMXFIHRZMTSS-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001421017108 1378026040 /nfs/dbraw/zinc/02/60/40/1378026040.db2.gz CMEMXFIHRZMTSS-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001421037572 1378054837 /nfs/dbraw/zinc/05/48/37/1378054837.db2.gz JCCQWRHFDVZFAN-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001421135524 1378166094 /nfs/dbraw/zinc/16/60/94/1378166094.db2.gz FDMOFSLNAWMXRJ-INIZCTEOSA-N 1 3 329.488 2.588 20 0 EFADHO CC(C)C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CCCC1 ZINC001421166513 1378215429 /nfs/dbraw/zinc/21/54/29/1378215429.db2.gz GFJOOLJQKCERCH-QGZVFWFLSA-N 1 3 325.541 2.885 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001421293806 1378447258 /nfs/dbraw/zinc/44/72/58/1378447258.db2.gz UWZRJESDHCLDHB-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001421293806 1378447262 /nfs/dbraw/zinc/44/72/62/1378447262.db2.gz UWZRJESDHCLDHB-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccc(C)cc1 ZINC001421418870 1378594818 /nfs/dbraw/zinc/59/48/18/1378594818.db2.gz DRBJDANZOFCCBX-GOSISDBHSA-N 1 3 331.504 2.506 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]Cc3ccc(F)cc3)CCCC2)C1 ZINC001438399105 1388561490 /nfs/dbraw/zinc/56/14/90/1388561490.db2.gz HBSBHFHJXMVYFJ-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cccc(C[NH2+]CC2(NC(=O)CN3CC[C@H](C)C3)CCCC2)c1 ZINC001421514469 1378725995 /nfs/dbraw/zinc/72/59/95/1378725995.db2.gz WPLZIAVHDIRUMC-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001421525143 1378748304 /nfs/dbraw/zinc/74/83/04/1378748304.db2.gz NYPZQPYQLHECCD-MOPGFXCFSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H](NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526371 1378751787 /nfs/dbraw/zinc/75/17/87/1378751787.db2.gz HQKOKBNZMQAKQV-HZPDHXFCSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@@H](NCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526371 1378751788 /nfs/dbraw/zinc/75/17/88/1378751788.db2.gz HQKOKBNZMQAKQV-HZPDHXFCSA-N 1 3 347.478 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2csc(C)c2)C1 ZINC001421539209 1378778207 /nfs/dbraw/zinc/77/82/07/1378778207.db2.gz JXHNUQIMVRKLEZ-NVXWUHKLSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001421544632 1378786868 /nfs/dbraw/zinc/78/68/68/1378786868.db2.gz PKLBQZDIUJEABA-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001421568859 1378824572 /nfs/dbraw/zinc/82/45/72/1378824572.db2.gz BOXBYMUDEUIUBC-OKZBNKHCSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001421568859 1378824574 /nfs/dbraw/zinc/82/45/74/1378824574.db2.gz BOXBYMUDEUIUBC-OKZBNKHCSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001421656854 1378957168 /nfs/dbraw/zinc/95/71/68/1378957168.db2.gz SDYZMNCFKOHJSF-BHIYHBOVSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001421698496 1379004987 /nfs/dbraw/zinc/00/49/87/1379004987.db2.gz HQYXNMSPULSFLK-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CCC2)c1 ZINC001421744886 1379069163 /nfs/dbraw/zinc/06/91/63/1379069163.db2.gz FJCGVDQREMBOOM-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)c(C)s1 ZINC001421751407 1379079072 /nfs/dbraw/zinc/07/90/72/1379079072.db2.gz GLHWYLCZHIXSNB-UHFFFAOYSA-N 1 3 349.544 2.978 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCc2ccccc2)CCC1)CC(C)(C)C ZINC001421765976 1379102958 /nfs/dbraw/zinc/10/29/58/1379102958.db2.gz LVUAJNPXQKSXOO-UHFFFAOYSA-N 1 3 345.531 2.836 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001421781314 1379130601 /nfs/dbraw/zinc/13/06/01/1379130601.db2.gz YOLNCUYZUOKXHD-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)c(F)c2)CC1 ZINC001421824848 1379184985 /nfs/dbraw/zinc/18/49/85/1379184985.db2.gz UXWFZZFYPSACGX-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)c(F)c2)CC1 ZINC001421824848 1379184988 /nfs/dbraw/zinc/18/49/88/1379184988.db2.gz UXWFZZFYPSACGX-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421838326 1379213861 /nfs/dbraw/zinc/21/38/61/1379213861.db2.gz IZUWAUYZPBPERF-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1cccc(CCC[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)c1 ZINC001421838326 1379213868 /nfs/dbraw/zinc/21/38/68/1379213868.db2.gz IZUWAUYZPBPERF-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](C[C@H](C)CC(C)C)C2)CC1)N(C)C ZINC001421854207 1379244438 /nfs/dbraw/zinc/24/44/38/1379244438.db2.gz ZHJQSYZFQOGYLL-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001421912536 1379342735 /nfs/dbraw/zinc/34/27/35/1379342735.db2.gz ZIEDLPIMABUFIS-WFASDCNBSA-N 1 3 345.940 2.924 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001421953988 1379402609 /nfs/dbraw/zinc/40/26/09/1379402609.db2.gz ADLUZNASKLJNQH-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001421953988 1379402613 /nfs/dbraw/zinc/40/26/13/1379402613.db2.gz ADLUZNASKLJNQH-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1Cl ZINC001421991575 1379449282 /nfs/dbraw/zinc/44/92/82/1379449282.db2.gz MUSBTDIMUNJISP-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC001422032744 1379517756 /nfs/dbraw/zinc/51/77/56/1379517756.db2.gz RFLRBQPSPQEYHW-LPHOPBHVSA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@@H](C)C1 ZINC001422032748 1379518097 /nfs/dbraw/zinc/51/80/97/1379518097.db2.gz RFLRBQPSPQEYHW-QFBILLFUSA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001422040488 1379529323 /nfs/dbraw/zinc/52/93/23/1379529323.db2.gz AAZCFZIQKNTXIC-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)C/C=C\Cl)CC2)CCC1 ZINC001422042895 1379533897 /nfs/dbraw/zinc/53/38/97/1379533897.db2.gz WQBCLKHQFMLMFU-WZUFQYTHSA-N 1 3 341.927 2.784 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)C/C=C\Cl)CC2)CCC1 ZINC001422042895 1379533902 /nfs/dbraw/zinc/53/39/02/1379533902.db2.gz WQBCLKHQFMLMFU-WZUFQYTHSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1F ZINC001422096504 1379605724 /nfs/dbraw/zinc/60/57/24/1379605724.db2.gz NKGFCGXEJAGEMT-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1ccc(F)cc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001422131370 1379659341 /nfs/dbraw/zinc/65/93/41/1379659341.db2.gz RMPJKJOUZHORJY-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CCCCN1C ZINC001422173911 1379725321 /nfs/dbraw/zinc/72/53/21/1379725321.db2.gz HCNRTLLKRSYEDP-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[C@H]1CCCCN1C ZINC001422173911 1379725327 /nfs/dbraw/zinc/72/53/27/1379725327.db2.gz HCNRTLLKRSYEDP-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001422175351 1379727147 /nfs/dbraw/zinc/72/71/47/1379727147.db2.gz BBOKPIMWUDZDGA-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1 ZINC001422175351 1379727149 /nfs/dbraw/zinc/72/71/49/1379727149.db2.gz BBOKPIMWUDZDGA-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1)C1CCC1 ZINC001422224901 1379805815 /nfs/dbraw/zinc/80/58/15/1379805815.db2.gz AJTIMDXZZOVNEW-TZIWHRDSSA-N 1 3 341.499 2.643 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1)C1CCC1 ZINC001422224646 1379806245 /nfs/dbraw/zinc/80/62/45/1379806245.db2.gz FMVXAWUIPPKGLJ-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1)C1CCC1 ZINC001422224646 1379806249 /nfs/dbraw/zinc/80/62/49/1379806249.db2.gz FMVXAWUIPPKGLJ-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001422251111 1379862020 /nfs/dbraw/zinc/86/20/20/1379862020.db2.gz HQUQGHYNUFMHHG-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 ZINC001422251111 1379862023 /nfs/dbraw/zinc/86/20/23/1379862023.db2.gz HQUQGHYNUFMHHG-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001422251109 1379862256 /nfs/dbraw/zinc/86/22/56/1379862256.db2.gz HQUQGHYNUFMHHG-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccccc1 ZINC001422251109 1379862261 /nfs/dbraw/zinc/86/22/61/1379862261.db2.gz HQUQGHYNUFMHHG-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001438499558 1388641548 /nfs/dbraw/zinc/64/15/48/1388641548.db2.gz OYRFKINCBPRNLY-NVXWUHKLSA-N 1 3 331.504 2.882 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438501837 1388642924 /nfs/dbraw/zinc/64/29/24/1388642924.db2.gz VLDFCDXBMTYNDF-INIZCTEOSA-N 1 3 331.504 2.630 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001422458335 1380135356 /nfs/dbraw/zinc/13/53/56/1380135356.db2.gz XFLKVRYWBZBIHR-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001422460503 1380141069 /nfs/dbraw/zinc/14/10/69/1380141069.db2.gz MTSMIUYXGRESEX-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001422505544 1380216565 /nfs/dbraw/zinc/21/65/65/1380216565.db2.gz PHQWLRGZNNXZLK-IGCXYCKISA-N 1 3 341.446 2.706 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422511207 1380227930 /nfs/dbraw/zinc/22/79/30/1380227930.db2.gz OXCTWFDIWIYHEI-OAHLLOKOSA-N 1 3 346.519 2.592 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001422525649 1380256346 /nfs/dbraw/zinc/25/63/46/1380256346.db2.gz FPXZKOHIJRXNRP-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cc2ccccc2o1 ZINC001422548509 1380298974 /nfs/dbraw/zinc/29/89/74/1380298974.db2.gz FCVDITMOOACHLO-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)c1cccc(CN(C)C)c1 ZINC001422608639 1380418608 /nfs/dbraw/zinc/41/86/08/1380418608.db2.gz VUKXXBCDNSJASA-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO COCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC001422731540 1380729644 /nfs/dbraw/zinc/72/96/44/1380729644.db2.gz CVAKSOIHQLZRQN-VQTJNVASSA-N 1 3 332.488 2.691 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001422755638 1380763491 /nfs/dbraw/zinc/76/34/91/1380763491.db2.gz OHHJXQUFSAYFLN-XLIONFOSSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)C/C=C\c1ccccc1)[NH+](C)C ZINC001422823902 1380861912 /nfs/dbraw/zinc/86/19/12/1380861912.db2.gz LKTWNJBRZZVVFW-AHSCJQSNSA-N 1 3 331.504 2.723 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001422835418 1380888412 /nfs/dbraw/zinc/88/84/12/1380888412.db2.gz NOBODBCKJAMGNA-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001422835418 1380888428 /nfs/dbraw/zinc/88/84/28/1380888428.db2.gz NOBODBCKJAMGNA-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001422835412 1380890679 /nfs/dbraw/zinc/89/06/79/1380890679.db2.gz NOBODBCKJAMGNA-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001422835412 1380890698 /nfs/dbraw/zinc/89/06/98/1380890698.db2.gz NOBODBCKJAMGNA-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001422871782 1380975721 /nfs/dbraw/zinc/97/57/21/1380975721.db2.gz FQHVUPVEXTYLQA-MRXNPFEDSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001422871782 1380975729 /nfs/dbraw/zinc/97/57/29/1380975729.db2.gz FQHVUPVEXTYLQA-MRXNPFEDSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001422913721 1381044932 /nfs/dbraw/zinc/04/49/32/1381044932.db2.gz CELZDYBKTXQXOJ-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422926949 1381071550 /nfs/dbraw/zinc/07/15/50/1381071550.db2.gz ZZQMZKKGXZBRKZ-RDTXFTJFSA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422926949 1381071556 /nfs/dbraw/zinc/07/15/56/1381071556.db2.gz ZZQMZKKGXZBRKZ-RDTXFTJFSA-N 1 3 327.900 2.536 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3ccccc3Cl)CCCC2)C1 ZINC001438610938 1388697027 /nfs/dbraw/zinc/69/70/27/1388697027.db2.gz GHNOUICITRMKEX-INIZCTEOSA-N 1 3 349.906 2.810 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3ccccc3Cl)CCCC2)C1 ZINC001438610938 1388697031 /nfs/dbraw/zinc/69/70/31/1388697031.db2.gz GHNOUICITRMKEX-INIZCTEOSA-N 1 3 349.906 2.810 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422932623 1381083596 /nfs/dbraw/zinc/08/35/96/1381083596.db2.gz GYHQHVUMPLHJHZ-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422932623 1381083601 /nfs/dbraw/zinc/08/36/01/1381083601.db2.gz GYHQHVUMPLHJHZ-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO C[C@@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001422950062 1381110388 /nfs/dbraw/zinc/11/03/88/1381110388.db2.gz YZZBJPJMCMOBSE-JCVNQNCUSA-N 1 3 341.927 2.926 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001422995732 1381178779 /nfs/dbraw/zinc/17/87/79/1381178779.db2.gz PSNZDFKVIWYUTG-RTBURBONSA-N 1 3 349.494 2.739 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001423016949 1381215752 /nfs/dbraw/zinc/21/57/52/1381215752.db2.gz CUOFURKZIKDQFG-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001423071944 1381301312 /nfs/dbraw/zinc/30/13/12/1381301312.db2.gz AUHNKQDCUYZWCT-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001423151438 1381449610 /nfs/dbraw/zinc/44/96/10/1381449610.db2.gz GSGUQDLFUFZWSU-IBGZPJMESA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438655296 1388721473 /nfs/dbraw/zinc/72/14/73/1388721473.db2.gz VBLMWPLQQLBAOF-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](C[NH2+]Cc1cc2ccccc2o1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438654861 1388721785 /nfs/dbraw/zinc/72/17/85/1388721785.db2.gz UBVQRJPPNGKGCA-HNNXBMFYSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001423210714 1381590822 /nfs/dbraw/zinc/59/08/22/1381590822.db2.gz QKWROZBFRVRGDY-GOSISDBHSA-N 1 3 347.478 2.767 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001423277692 1381737065 /nfs/dbraw/zinc/73/70/65/1381737065.db2.gz ACRZIKRRFPBZFP-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC1(NCc2ccccc2)CC1 ZINC001423314137 1381770714 /nfs/dbraw/zinc/77/07/14/1381770714.db2.gz KCOYFVGQPROKTC-UHFFFAOYSA-N 1 3 329.488 2.691 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC(F)(F)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423316957 1381775079 /nfs/dbraw/zinc/77/50/79/1381775079.db2.gz DRTLXBPAZCMQCN-HIFRSBDPSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@H]1C ZINC001423324907 1381785421 /nfs/dbraw/zinc/78/54/21/1381785421.db2.gz HSNMEANFQFOMSE-PBHICJAKSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1C ZINC001423324915 1381785848 /nfs/dbraw/zinc/78/58/48/1381785848.db2.gz HSNMEANFQFOMSE-WMLDXEAASA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H]1[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001423324876 1381786057 /nfs/dbraw/zinc/78/60/57/1381786057.db2.gz HQJKSKVJEODMCS-XJDWBDPKSA-N 1 3 335.879 2.693 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001423328598 1381790679 /nfs/dbraw/zinc/79/06/79/1381790679.db2.gz LKRIYXDVZSXMSU-SNWBSQOPSA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001423328598 1381790683 /nfs/dbraw/zinc/79/06/83/1381790683.db2.gz LKRIYXDVZSXMSU-SNWBSQOPSA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CCCF)C2CCCCCC2)C1 ZINC001423334248 1381798828 /nfs/dbraw/zinc/79/88/28/1381798828.db2.gz DUMDUXWOXSQGRH-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CCCF)C2CCCCCC2)C1 ZINC001423334248 1381798835 /nfs/dbraw/zinc/79/88/35/1381798835.db2.gz DUMDUXWOXSQGRH-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001423361516 1381845853 /nfs/dbraw/zinc/84/58/53/1381845853.db2.gz GIGMOWUGZBKNJG-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001423361516 1381845861 /nfs/dbraw/zinc/84/58/61/1381845861.db2.gz GIGMOWUGZBKNJG-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)c(C)c1 ZINC001438697635 1388746351 /nfs/dbraw/zinc/74/63/51/1388746351.db2.gz FNFJSUGKLDPOHU-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCCN1CCCF ZINC001423371141 1381864386 /nfs/dbraw/zinc/86/43/86/1381864386.db2.gz JNNALJVPIBBIHA-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001423386510 1381888240 /nfs/dbraw/zinc/88/82/40/1381888240.db2.gz NXMGJEUGVBOREI-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1 ZINC001438705027 1388750301 /nfs/dbraw/zinc/75/03/01/1388750301.db2.gz HHISGFMJMIBMPC-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001438705922 1388751185 /nfs/dbraw/zinc/75/11/85/1388751185.db2.gz LUUNGGNOPUNMLD-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001423490497 1381980819 /nfs/dbraw/zinc/98/08/19/1381980819.db2.gz KKFBLFPXLSCVQM-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC001423492893 1381983919 /nfs/dbraw/zinc/98/39/19/1381983919.db2.gz UHPXORHWKMZPIF-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001423528370 1382019994 /nfs/dbraw/zinc/01/99/94/1382019994.db2.gz XRIYTHKTXDBJRZ-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001423587044 1382121164 /nfs/dbraw/zinc/12/11/64/1382121164.db2.gz OJQHTCBVLYUMJL-FQEVSTJZSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001423587044 1382121169 /nfs/dbraw/zinc/12/11/69/1382121169.db2.gz OJQHTCBVLYUMJL-FQEVSTJZSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001423632709 1382198220 /nfs/dbraw/zinc/19/82/20/1382198220.db2.gz BWEYYUABRNNUKX-LJQANCHMSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001438727724 1388768473 /nfs/dbraw/zinc/76/84/73/1388768473.db2.gz JDYVXMPJQVJZBN-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H](C)c2ccccc2)C1 ZINC001423646149 1382217943 /nfs/dbraw/zinc/21/79/43/1382217943.db2.gz PQOOMWVAZPFYQM-XLIONFOSSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001423693883 1382303257 /nfs/dbraw/zinc/30/32/57/1382303257.db2.gz KINIDLXWXCZSHS-SOAGJPPSSA-N 1 3 345.531 2.969 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423932054 1382514702 /nfs/dbraw/zinc/51/47/02/1382514702.db2.gz XDZNNRIQNXRDPK-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]C/C=C\c2ccccc2)C1 ZINC001423965008 1382560914 /nfs/dbraw/zinc/56/09/14/1382560914.db2.gz ZWAXIXAEHUQGRY-POQYLXETSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)C2)CC1)N(C)C ZINC001424085020 1382745464 /nfs/dbraw/zinc/74/54/64/1382745464.db2.gz BXNZORVZBNHJBJ-ZBABMDLNSA-N 1 3 337.552 2.883 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001424089950 1382748231 /nfs/dbraw/zinc/74/82/31/1382748231.db2.gz POXROQJLJIEFCK-ATZDWAIDSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001424202362 1382857874 /nfs/dbraw/zinc/85/78/74/1382857874.db2.gz DLHMXNITWWDDLU-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001424218655 1382877858 /nfs/dbraw/zinc/87/78/58/1382877858.db2.gz DLHMXNITWWDDLU-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001424383417 1382974750 /nfs/dbraw/zinc/97/47/50/1382974750.db2.gz SAEYVDMYBWZYSS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001424383417 1382974756 /nfs/dbraw/zinc/97/47/56/1382974756.db2.gz SAEYVDMYBWZYSS-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001438819253 1388840547 /nfs/dbraw/zinc/84/05/47/1388840547.db2.gz BWYDOTBNGYQTRT-ALOLOFKDSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC001424675851 1383248622 /nfs/dbraw/zinc/24/86/22/1383248622.db2.gz AVOIGJMHFPZXKF-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001424688283 1383259212 /nfs/dbraw/zinc/25/92/12/1383259212.db2.gz RPKOBLAIUUDBER-CHUTXNTCSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001424688283 1383259219 /nfs/dbraw/zinc/25/92/19/1383259219.db2.gz RPKOBLAIUUDBER-CHUTXNTCSA-N 1 3 341.499 2.717 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)cs1 ZINC001438837355 1388854221 /nfs/dbraw/zinc/85/42/21/1388854221.db2.gz DBKUDGHVNBIEFV-SJORKVTESA-N 1 3 339.549 2.873 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001424949401 1383496173 /nfs/dbraw/zinc/49/61/73/1383496173.db2.gz PBVKSTYYFVQOKG-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001424949401 1383496179 /nfs/dbraw/zinc/49/61/79/1383496179.db2.gz PBVKSTYYFVQOKG-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001424949408 1383497040 /nfs/dbraw/zinc/49/70/40/1383497040.db2.gz PBVKSTYYFVQOKG-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001424949408 1383497043 /nfs/dbraw/zinc/49/70/43/1383497043.db2.gz PBVKSTYYFVQOKG-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001425262300 1383578098 /nfs/dbraw/zinc/57/80/98/1383578098.db2.gz DDRUYGYZMJDLQA-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccccc2C)C1 ZINC001425262300 1383578099 /nfs/dbraw/zinc/57/80/99/1383578099.db2.gz DDRUYGYZMJDLQA-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2cccc(F)c2)C1)N(C)C ZINC001425274236 1383584293 /nfs/dbraw/zinc/58/42/93/1383584293.db2.gz VKMXAZGTAUXBHM-KXBFYZLASA-N 1 3 349.494 2.535 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425508282 1383673373 /nfs/dbraw/zinc/67/33/73/1383673373.db2.gz LZGAQZYFHJDFLS-IBGZPJMESA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C\Cl ZINC001425599120 1383706088 /nfs/dbraw/zinc/70/60/88/1383706088.db2.gz AVBFPGUSUKKRAT-MEODZPNASA-N 1 3 329.916 2.688 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001425683180 1383759661 /nfs/dbraw/zinc/75/96/61/1383759661.db2.gz PZLFFKPJORJKGB-BBRMVZONSA-N 1 3 325.522 2.579 20 0 EFADHO Cc1cccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001438914256 1388911889 /nfs/dbraw/zinc/91/18/89/1388911889.db2.gz BAVGZLSDDXUHGH-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001438929031 1388929847 /nfs/dbraw/zinc/92/98/47/1388929847.db2.gz MYTVOLMSZSZFGA-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C)CC1 ZINC001438929031 1388929851 /nfs/dbraw/zinc/92/98/51/1388929851.db2.gz MYTVOLMSZSZFGA-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)N(C)C)cc1 ZINC001426791183 1384555866 /nfs/dbraw/zinc/55/58/66/1384555866.db2.gz JLDROHCPTBKCJK-SFHVURJKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC(C)(C)C2)N(C)C)cc1 ZINC001426791183 1384555869 /nfs/dbraw/zinc/55/58/69/1384555869.db2.gz JLDROHCPTBKCJK-SFHVURJKSA-N 1 3 346.519 2.629 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001438929874 1388930225 /nfs/dbraw/zinc/93/02/25/1388930225.db2.gz SKBMSQVDYGYKRC-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001438929874 1388930227 /nfs/dbraw/zinc/93/02/27/1388930227.db2.gz SKBMSQVDYGYKRC-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438938072 1388937749 /nfs/dbraw/zinc/93/77/49/1388937749.db2.gz MMHSSKFIDAVHGT-GOEBONIOSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438938072 1388937751 /nfs/dbraw/zinc/93/77/51/1388937751.db2.gz MMHSSKFIDAVHGT-GOEBONIOSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001439061633 1388972242 /nfs/dbraw/zinc/97/22/42/1388972242.db2.gz DHBBQOFPPVEHDG-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001439061647 1388972335 /nfs/dbraw/zinc/97/23/35/1388972335.db2.gz DHBBQOFPPVEHDG-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001439214622 1389052653 /nfs/dbraw/zinc/05/26/53/1389052653.db2.gz NKHAFCOHOWBOBF-KRWDZBQOSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001439284371 1389096301 /nfs/dbraw/zinc/09/63/01/1389096301.db2.gz HNZFXROSXVVCMZ-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001439387885 1389224166 /nfs/dbraw/zinc/22/41/66/1389224166.db2.gz OXBQRZRSZGDDLX-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc(C)sc1C ZINC001439387885 1389224177 /nfs/dbraw/zinc/22/41/77/1389224177.db2.gz OXBQRZRSZGDDLX-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001439395649 1389235708 /nfs/dbraw/zinc/23/57/08/1389235708.db2.gz BHDZZLPUCSTJIA-CQSZACIVSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC1CCC(C)(C)CC1 ZINC001439395649 1389235716 /nfs/dbraw/zinc/23/57/16/1389235716.db2.gz BHDZZLPUCSTJIA-CQSZACIVSA-N 1 3 334.508 2.914 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001439407976 1389259107 /nfs/dbraw/zinc/25/91/07/1389259107.db2.gz VVIQZWOKIOAUET-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001439407976 1389259114 /nfs/dbraw/zinc/25/91/14/1389259114.db2.gz VVIQZWOKIOAUET-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001439414549 1389269967 /nfs/dbraw/zinc/26/99/67/1389269967.db2.gz BMXDLAZQYYVUNN-HKUYNNGSSA-N 1 3 349.494 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC001506864063 1406368626 /nfs/dbraw/zinc/36/86/26/1406368626.db2.gz CAOQYZQPXAHMSM-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2 ZINC001506864063 1406368633 /nfs/dbraw/zinc/36/86/33/1406368633.db2.gz CAOQYZQPXAHMSM-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001440123561 1389396939 /nfs/dbraw/zinc/39/69/39/1389396939.db2.gz PAFFDDKFRVWSAD-BCDXTJNWSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2 ZINC001440123561 1389396942 /nfs/dbraw/zinc/39/69/42/1389396942.db2.gz PAFFDDKFRVWSAD-BCDXTJNWSA-N 1 3 337.552 2.980 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001440129878 1389402499 /nfs/dbraw/zinc/40/24/99/1389402499.db2.gz WMRPAISJGOTUKW-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)C1 ZINC001440223832 1389453242 /nfs/dbraw/zinc/45/32/42/1389453242.db2.gz RMDRQOZQKNUAMD-AXGQMCRRSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)C1 ZINC001440223832 1389453248 /nfs/dbraw/zinc/45/32/48/1389453248.db2.gz RMDRQOZQKNUAMD-AXGQMCRRSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)C1 ZINC001440223835 1389453397 /nfs/dbraw/zinc/45/33/97/1389453397.db2.gz RMDRQOZQKNUAMD-PLAZVSLNSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C\Cl)CC2)C1 ZINC001440223835 1389453400 /nfs/dbraw/zinc/45/34/00/1389453400.db2.gz RMDRQOZQKNUAMD-PLAZVSLNSA-N 1 3 348.318 2.522 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001440252710 1389477061 /nfs/dbraw/zinc/47/70/61/1389477061.db2.gz PBJSIFXPLPEOIP-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1cccc(C)c1 ZINC001440252710 1389477065 /nfs/dbraw/zinc/47/70/65/1389477065.db2.gz PBJSIFXPLPEOIP-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440255193 1389478889 /nfs/dbraw/zinc/47/88/89/1389478889.db2.gz SNEMYXUKTSCISB-ZWKOTPCHSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001440302681 1389516323 /nfs/dbraw/zinc/51/63/23/1389516323.db2.gz OUYQZSVZLDEQFI-SFHVURJKSA-N 1 3 329.488 2.688 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCC1)C1CCC1 ZINC001440319051 1389531532 /nfs/dbraw/zinc/53/15/32/1389531532.db2.gz FDYHEUFBGRKPJM-POHAHGRESA-N 1 3 341.499 2.813 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)N(C)C ZINC001440364607 1389569827 /nfs/dbraw/zinc/56/98/27/1389569827.db2.gz PHBBSWKHBSSMGX-DWRORGKVSA-N 1 3 331.504 2.881 20 0 EFADHO CN(CCC[N@H+](C)CC/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001440425934 1389623625 /nfs/dbraw/zinc/62/36/25/1389623625.db2.gz JGSPSRROHXQZDO-LOULHMMLSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)CC/C=C/c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001440425934 1389623627 /nfs/dbraw/zinc/62/36/27/1389623627.db2.gz JGSPSRROHXQZDO-LOULHMMLSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001440647232 1389795876 /nfs/dbraw/zinc/79/58/76/1389795876.db2.gz KCFAGRJUHSKODR-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001440647232 1389795883 /nfs/dbraw/zinc/79/58/83/1389795883.db2.gz KCFAGRJUHSKODR-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1cccs1 ZINC001440648149 1389796999 /nfs/dbraw/zinc/79/69/99/1389796999.db2.gz INFAEHPMIGZHCT-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1cccs1 ZINC001440648149 1389797004 /nfs/dbraw/zinc/79/70/04/1389797004.db2.gz INFAEHPMIGZHCT-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H](C)CC(C)C)N(C)C ZINC001440717304 1389833580 /nfs/dbraw/zinc/83/35/80/1389833580.db2.gz YUOJUGDZJWGNDD-SQNIBIBYSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1cccc(Cl)c1 ZINC001440954839 1390044063 /nfs/dbraw/zinc/04/40/63/1390044063.db2.gz KULPUDVJQGWQKO-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cc(CN(C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(C)s1 ZINC001440955741 1390046303 /nfs/dbraw/zinc/04/63/03/1390046303.db2.gz MHSDHAKNSPEXEO-CQSZACIVSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc2ncccc2c1 ZINC001440961175 1390050882 /nfs/dbraw/zinc/05/08/82/1390050882.db2.gz WDNOBXKHUQYXBM-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001440964475 1390054557 /nfs/dbraw/zinc/05/45/57/1390054557.db2.gz VANODNXVRIXIJD-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440964472 1390055331 /nfs/dbraw/zinc/05/53/31/1390055331.db2.gz VANODNXVRIXIJD-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001440990783 1391010030 /nfs/dbraw/zinc/01/00/30/1391010030.db2.gz IRJAVQVYJFRDFU-MAUKXSAKSA-N 1 3 332.492 2.892 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N(C)Cc2ccc(F)cc2)CC1 ZINC001440997718 1391019859 /nfs/dbraw/zinc/01/98/59/1391019859.db2.gz VFYXBNKUZNRJRZ-MRXNPFEDSA-N 1 3 349.494 2.883 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CCC1 ZINC001441197557 1391175013 /nfs/dbraw/zinc/17/50/13/1391175013.db2.gz IIPTXFDOCJVJCA-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)CN(C)C1CCC1)C1CC1 ZINC001441203301 1391179552 /nfs/dbraw/zinc/17/95/52/1391179552.db2.gz JOCOHOCQVCUKKS-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001441279535 1391228850 /nfs/dbraw/zinc/22/88/50/1391228850.db2.gz ADHULOKGMVXLON-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001441279535 1391228853 /nfs/dbraw/zinc/22/88/53/1391228853.db2.gz ADHULOKGMVXLON-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001441387307 1391277512 /nfs/dbraw/zinc/27/75/12/1391277512.db2.gz WFLJVZVELMUTHR-MHORFTMASA-N 1 3 335.536 2.924 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001441623626 1391389630 /nfs/dbraw/zinc/38/96/30/1391389630.db2.gz SHPQLFRFPDDKIL-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001441624610 1391390762 /nfs/dbraw/zinc/39/07/62/1391390762.db2.gz MDDYAZMGSWCMID-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(F)c(Cl)c1 ZINC001441624610 1391390769 /nfs/dbraw/zinc/39/07/69/1391390769.db2.gz MDDYAZMGSWCMID-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001441640194 1391401662 /nfs/dbraw/zinc/40/16/62/1391401662.db2.gz LQAWWDSVUCWRKV-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001441640194 1391401666 /nfs/dbraw/zinc/40/16/66/1391401666.db2.gz LQAWWDSVUCWRKV-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]Cc3ccc(F)cc3)CC2)CCC1 ZINC001441733303 1391411296 /nfs/dbraw/zinc/41/12/96/1391411296.db2.gz YCMKWPZZLQUXJM-UHFFFAOYSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C/C=C\c2ccccc2)C[C@H]1C ZINC001441855875 1391425247 /nfs/dbraw/zinc/42/52/47/1391425247.db2.gz FXYWYLKTPQPZKA-PVDJYUQQSA-N 1 3 329.488 2.621 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001444313149 1391470272 /nfs/dbraw/zinc/47/02/72/1391470272.db2.gz ZAEJFIVUESVKOX-CKMOMWRASA-N 1 3 336.307 2.520 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C/Cl ZINC001444313149 1391470273 /nfs/dbraw/zinc/47/02/73/1391470273.db2.gz ZAEJFIVUESVKOX-CKMOMWRASA-N 1 3 336.307 2.520 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444318045 1391471036 /nfs/dbraw/zinc/47/10/36/1391471036.db2.gz GSTJJCVHCAAANG-NVXWUHKLSA-N 1 3 331.504 2.882 20 0 EFADHO CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001446663457 1391572411 /nfs/dbraw/zinc/57/24/11/1391572411.db2.gz QAGSXSKPCCVBTP-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001446941037 1391641294 /nfs/dbraw/zinc/64/12/94/1391641294.db2.gz HPSNPMOMEMZGSW-SJLPKXTDSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001448041515 1391911497 /nfs/dbraw/zinc/91/14/97/1391911497.db2.gz KVQNRYZCJGKVDG-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001448041515 1391911501 /nfs/dbraw/zinc/91/15/01/1391911501.db2.gz KVQNRYZCJGKVDG-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C/C=C/c1ccccc1 ZINC001448043342 1391914216 /nfs/dbraw/zinc/91/42/16/1391914216.db2.gz NIOIMWDAQLZLLX-YRYLYKBFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001448043342 1391914219 /nfs/dbraw/zinc/91/42/19/1391914219.db2.gz NIOIMWDAQLZLLX-YRYLYKBFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCc1cccs1 ZINC001448095957 1391954597 /nfs/dbraw/zinc/95/45/97/1391954597.db2.gz MHUGVDULQFTENL-OAHLLOKOSA-N 1 3 339.549 2.705 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCc1cccs1 ZINC001448095957 1391954601 /nfs/dbraw/zinc/95/46/01/1391954601.db2.gz MHUGVDULQFTENL-OAHLLOKOSA-N 1 3 339.549 2.705 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCCCCN2CCC(F)(F)F)CC1 ZINC001448267443 1392066711 /nfs/dbraw/zinc/06/67/11/1392066711.db2.gz PZFBRARBNCNINY-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001448603619 1392096274 /nfs/dbraw/zinc/09/62/74/1392096274.db2.gz KWQMZKKISWCPBD-LJQANCHMSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001448678782 1392167734 /nfs/dbraw/zinc/16/77/34/1392167734.db2.gz KOVOOJPTDYXWHP-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001448689123 1392172189 /nfs/dbraw/zinc/17/21/89/1392172189.db2.gz XWANVPSQNAGIPQ-CYBMUJFWSA-N 1 3 337.533 2.786 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccnc1 ZINC001448693493 1392176142 /nfs/dbraw/zinc/17/61/42/1392176142.db2.gz AUVQUXICONYXMJ-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1C ZINC001449016873 1392207397 /nfs/dbraw/zinc/20/73/97/1392207397.db2.gz QBEDGJAEHKFWKG-DOTOQJQBSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1F)N(C)C ZINC001449419735 1392263770 /nfs/dbraw/zinc/26/37/70/1392263770.db2.gz XRBORSJXGQPEJU-LJQANCHMSA-N 1 3 349.494 2.918 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001507145757 1406764404 /nfs/dbraw/zinc/76/44/04/1406764404.db2.gz CDWYCJSEOXPJCA-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001507151868 1406776148 /nfs/dbraw/zinc/77/61/48/1406776148.db2.gz KQCOLEKPFZRKMG-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1cc(CNCc2cccc(C[NH+](C)C)c2)ccc1-n1cncn1 ZINC001461034921 1396285031 /nfs/dbraw/zinc/28/50/31/1396285031.db2.gz HUAXTWBWVVEQSQ-UHFFFAOYSA-N 1 3 335.455 2.927 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC001461341690 1396372074 /nfs/dbraw/zinc/37/20/74/1396372074.db2.gz AQTLUFYYFBEGDZ-SJORKVTESA-N 1 3 340.414 2.755 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC001462513930 1396439741 /nfs/dbraw/zinc/43/97/41/1396439741.db2.gz IUUSLQGBVJAEEL-SOAISFHBSA-N 1 3 336.520 2.815 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC001462513917 1396439794 /nfs/dbraw/zinc/43/97/94/1396439794.db2.gz IUUSLQGBVJAEEL-IQNGYNMSSA-N 1 3 336.520 2.815 20 0 EFADHO CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001466680189 1396772551 /nfs/dbraw/zinc/77/25/51/1396772551.db2.gz UNQDHMQHUYEQFD-GGPKGHCWSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001470774368 1397120171 /nfs/dbraw/zinc/12/01/71/1397120171.db2.gz AQRPOWAXSPHNCX-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001470774368 1397120175 /nfs/dbraw/zinc/12/01/75/1397120175.db2.gz AQRPOWAXSPHNCX-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001473808005 1397333654 /nfs/dbraw/zinc/33/36/54/1397333654.db2.gz AGYOZRSPENPDQJ-BEFAXECRSA-N 1 3 345.874 2.849 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC001473986067 1397361084 /nfs/dbraw/zinc/36/10/84/1397361084.db2.gz JJLGEUUXFVTZHZ-HNNXBMFYSA-N 1 3 333.451 2.935 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001478074160 1397561574 /nfs/dbraw/zinc/56/15/74/1397561574.db2.gz FPDAENCPNIONCW-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001478074160 1397561576 /nfs/dbraw/zinc/56/15/76/1397561576.db2.gz FPDAENCPNIONCW-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001479400114 1397715057 /nfs/dbraw/zinc/71/50/57/1397715057.db2.gz PGERZIFSGCPZHV-ZVZYQTTQSA-N 1 3 343.471 2.757 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001480079772 1398114775 /nfs/dbraw/zinc/11/47/75/1398114775.db2.gz PFLMNFJHVDLHAS-RDTXFTJFSA-N 1 3 339.911 2.538 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001480665852 1398271104 /nfs/dbraw/zinc/27/11/04/1398271104.db2.gz PLQQFFHCBGOQTR-QGZVFWFLSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001480697765 1398291236 /nfs/dbraw/zinc/29/12/36/1398291236.db2.gz NZCDKOCCIIQIIZ-CABCVRRESA-N 1 3 343.462 2.533 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001493023921 1398368349 /nfs/dbraw/zinc/36/83/49/1398368349.db2.gz YACHDMQZVKNKKA-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001493023921 1398368356 /nfs/dbraw/zinc/36/83/56/1398368356.db2.gz YACHDMQZVKNKKA-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@@H]1CCc2c1cccc2F ZINC001493049755 1398393798 /nfs/dbraw/zinc/39/37/98/1398393798.db2.gz UMIJKJFJGBPMOA-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@@H]1CCc2c1cccc2F ZINC001493049755 1398393801 /nfs/dbraw/zinc/39/38/01/1398393801.db2.gz UMIJKJFJGBPMOA-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccc(C)c(F)c1 ZINC001493290334 1398590386 /nfs/dbraw/zinc/59/03/86/1398590386.db2.gz GEFXIXKGDCWMGI-SJLPKXTDSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccc(C)c(F)c1 ZINC001493290334 1398590388 /nfs/dbraw/zinc/59/03/88/1398590388.db2.gz GEFXIXKGDCWMGI-SJLPKXTDSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001493376364 1398654375 /nfs/dbraw/zinc/65/43/75/1398654375.db2.gz AKPUEWZEZHJTKE-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001493376364 1398654381 /nfs/dbraw/zinc/65/43/81/1398654381.db2.gz AKPUEWZEZHJTKE-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001493696275 1398814687 /nfs/dbraw/zinc/81/46/87/1398814687.db2.gz RWBQFGFBQOKFLU-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001493696275 1398814692 /nfs/dbraw/zinc/81/46/92/1398814692.db2.gz RWBQFGFBQOKFLU-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794191 1398888730 /nfs/dbraw/zinc/88/87/30/1398888730.db2.gz SSUMANAOACCQRL-OCCSQVGLSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794191 1398888737 /nfs/dbraw/zinc/88/87/37/1398888737.db2.gz SSUMANAOACCQRL-OCCSQVGLSA-N 1 3 341.858 2.540 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001493837955 1398913808 /nfs/dbraw/zinc/91/38/08/1398913808.db2.gz ZIJZOBKRNNFRPS-XLIONFOSSA-N 1 3 345.531 2.786 20 0 EFADHO C[C@@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493845615 1398918328 /nfs/dbraw/zinc/91/83/28/1398918328.db2.gz ZOZUKRXUUPLVEM-HQOGMNCSSA-N 1 3 341.927 2.688 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001493929200 1398981161 /nfs/dbraw/zinc/98/11/61/1398981161.db2.gz SKNHQUNHIZLIBG-BGYRXZFFSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001493929200 1398981165 /nfs/dbraw/zinc/98/11/65/1398981165.db2.gz SKNHQUNHIZLIBG-BGYRXZFFSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001494077126 1399115857 /nfs/dbraw/zinc/11/58/57/1399115857.db2.gz UHGYWFHFJKITMU-WBVHZDCISA-N 1 3 334.508 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001494077126 1399115864 /nfs/dbraw/zinc/11/58/64/1399115864.db2.gz UHGYWFHFJKITMU-WBVHZDCISA-N 1 3 334.508 2.771 20 0 EFADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001495602369 1400110795 /nfs/dbraw/zinc/11/07/95/1400110795.db2.gz KKQYBTSWVFYCJX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001495602369 1400110798 /nfs/dbraw/zinc/11/07/98/1400110798.db2.gz KKQYBTSWVFYCJX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001495602107 1400110900 /nfs/dbraw/zinc/11/09/00/1400110900.db2.gz BCJQZIQGOGWAJO-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001495602107 1400110905 /nfs/dbraw/zinc/11/09/05/1400110905.db2.gz BCJQZIQGOGWAJO-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001495679682 1400160878 /nfs/dbraw/zinc/16/08/78/1400160878.db2.gz JFYISTWFBZENPL-MJGOQNOKSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001495679680 1400161084 /nfs/dbraw/zinc/16/10/84/1400161084.db2.gz JFYISTWFBZENPL-HKUYNNGSSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1sccc1Cl ZINC001495685137 1400164888 /nfs/dbraw/zinc/16/48/88/1400164888.db2.gz OTUAXZKHGDLUDX-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001495744492 1400220291 /nfs/dbraw/zinc/22/02/91/1400220291.db2.gz XCMOVDLBNNVLTA-NVXWUHKLSA-N 1 3 345.531 2.796 20 0 EFADHO C[C@@H](CNCc1ccccn1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496126585 1400487206 /nfs/dbraw/zinc/48/72/06/1400487206.db2.gz DMUSRURQWACKAW-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496151772 1400505100 /nfs/dbraw/zinc/50/51/00/1400505100.db2.gz WWMHJVATYWJKJM-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001496156496 1400507595 /nfs/dbraw/zinc/50/75/95/1400507595.db2.gz ZSILUGWWTVIGJM-KXBFYZLASA-N 1 3 348.535 2.790 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]C/C=C\Cl ZINC001496370097 1400678958 /nfs/dbraw/zinc/67/89/58/1400678958.db2.gz MPZJITWGYFOWMO-WMJDKPPMSA-N 1 3 349.906 2.941 20 0 EFADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccnc1 ZINC001496561125 1400827941 /nfs/dbraw/zinc/82/79/41/1400827941.db2.gz IVHXASNEQGXCOD-GOSISDBHSA-N 1 3 346.519 2.577 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001496563282 1400831266 /nfs/dbraw/zinc/83/12/66/1400831266.db2.gz XESQOUOVMGFLSJ-IBGZPJMESA-N 1 3 331.504 2.710 20 0 EFADHO CN(CCN(C)C(=O)C1(C[NH+](C)C)CC1)Cc1ccccc1C1CC1 ZINC001496770945 1400972480 /nfs/dbraw/zinc/97/24/80/1400972480.db2.gz WYCKLCDQWFAVRQ-UHFFFAOYSA-N 1 3 343.515 2.796 20 0 EFADHO CN(CCN(C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496836386 1401024501 /nfs/dbraw/zinc/02/45/01/1401024501.db2.gz RHQIZVYLWSZDAI-QFBILLFUSA-N 1 3 347.478 2.545 20 0 EFADHO CN(CCN(C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496836386 1401024506 /nfs/dbraw/zinc/02/45/06/1401024506.db2.gz RHQIZVYLWSZDAI-QFBILLFUSA-N 1 3 347.478 2.545 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001496887687 1401078036 /nfs/dbraw/zinc/07/80/36/1401078036.db2.gz LWNGEGBUAWVTEO-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001497485241 1401410571 /nfs/dbraw/zinc/41/05/71/1401410571.db2.gz CMUMITZBTYUALE-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001497611997 1401493251 /nfs/dbraw/zinc/49/32/51/1401493251.db2.gz RAENWQTXZNFZPG-PJHKVULZSA-N 1 3 349.906 2.930 20 0 EFADHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001497845849 1401691109 /nfs/dbraw/zinc/69/11/09/1401691109.db2.gz SDFJOSDFLDWNEV-GFCCVEGCSA-N 1 3 341.908 2.624 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2cccc(F)c2)C(C)(C)C)CCC1 ZINC001507952485 1407221629 /nfs/dbraw/zinc/22/16/29/1407221629.db2.gz QIUFTTMHBJRRFP-QGZVFWFLSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312340 1402000039 /nfs/dbraw/zinc/00/00/39/1402000039.db2.gz JHDLLEXPZKLYKC-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312340 1402000043 /nfs/dbraw/zinc/00/00/43/1402000043.db2.gz JHDLLEXPZKLYKC-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001498457913 1402120319 /nfs/dbraw/zinc/12/03/19/1402120319.db2.gz QKLWXHIBSSYKPN-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccc(CF)cc2)C2CC2)CCC1 ZINC001498768973 1402277653 /nfs/dbraw/zinc/27/76/53/1402277653.db2.gz GDUOFQVACNQQEK-GOSISDBHSA-N 1 3 347.478 2.625 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001498890975 1402362523 /nfs/dbraw/zinc/36/25/23/1402362523.db2.gz XTVQEUPLPOKXJR-UKRRQHHQSA-N 1 3 349.441 2.640 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@H]1C ZINC001499851788 1402818897 /nfs/dbraw/zinc/81/88/97/1402818897.db2.gz BFNBVKJDMKGBCI-JBUYOTSVSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@H]1C ZINC001499851788 1402818904 /nfs/dbraw/zinc/81/89/04/1402818904.db2.gz BFNBVKJDMKGBCI-JBUYOTSVSA-N 1 3 336.307 2.616 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C\Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001499842627 1402811032 /nfs/dbraw/zinc/81/10/32/1402811032.db2.gz ADYYRYPYCUAGFA-RUDQYUADSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2cccc(OC)c2)CC1 ZINC001500005506 1402896135 /nfs/dbraw/zinc/89/61/35/1402896135.db2.gz CUHMCZOEEYXPNS-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001508114020 1407302689 /nfs/dbraw/zinc/30/26/89/1407302689.db2.gz FALBCMABXATCFU-ACBHZAAOSA-N 1 3 349.494 2.799 20 0 EFADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001500354135 1403071071 /nfs/dbraw/zinc/07/10/71/1403071071.db2.gz LKHFTGNSDVYKPD-FQEVSTJZSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001500382356 1403087206 /nfs/dbraw/zinc/08/72/06/1403087206.db2.gz POPYBECNJFCPIQ-HXUWFJFHSA-N 1 3 340.471 2.597 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001500428386 1403115582 /nfs/dbraw/zinc/11/55/82/1403115582.db2.gz CCHKDTGCWKWETL-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001500428387 1403115925 /nfs/dbraw/zinc/11/59/25/1403115925.db2.gz CCHKDTGCWKWETL-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001500451162 1403131407 /nfs/dbraw/zinc/13/14/07/1403131407.db2.gz AMWDAXWVDBUMEE-KRWDZBQOSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001508144473 1407314525 /nfs/dbraw/zinc/31/45/25/1407314525.db2.gz CWGNGEAFBFULRR-AFMYVXGZSA-N 1 3 343.515 2.985 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC001501228477 1403503448 /nfs/dbraw/zinc/50/34/48/1403503448.db2.gz UCEMBRMQVACCBD-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001501621386 1403649685 /nfs/dbraw/zinc/64/96/85/1403649685.db2.gz BJOAWLVLQYKHRT-HUUCEWRRSA-N 1 3 344.434 2.681 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001501638441 1403660294 /nfs/dbraw/zinc/66/02/94/1403660294.db2.gz WJKXDDWPYVNCJA-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001501638225 1403660346 /nfs/dbraw/zinc/66/03/46/1403660346.db2.gz UEMBRHUAALGDBE-WLTZFMEZSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001501638223 1403660469 /nfs/dbraw/zinc/66/04/69/1403660469.db2.gz UEMBRHUAALGDBE-JFYHIKNKSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001501641184 1403661997 /nfs/dbraw/zinc/66/19/97/1403661997.db2.gz ROTYRJWETSBJTD-RTBURBONSA-N 1 3 335.536 2.901 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C)CCC1 ZINC001501960010 1403906631 /nfs/dbraw/zinc/90/66/31/1403906631.db2.gz FLXUASLILRDVDQ-IBGZPJMESA-N 1 3 343.515 2.998 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](CCc3cccs3)CC2)CCC1 ZINC001502126265 1404018203 /nfs/dbraw/zinc/01/82/03/1404018203.db2.gz UGWLLTVTTNIMMN-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](CCc3cccs3)CC2)CCC1 ZINC001502126265 1404018213 /nfs/dbraw/zinc/01/82/13/1404018213.db2.gz UGWLLTVTTNIMMN-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1 ZINC001502380277 1404118414 /nfs/dbraw/zinc/11/84/14/1404118414.db2.gz HOUZDAZWJHNLAG-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1 ZINC001502380277 1404118417 /nfs/dbraw/zinc/11/84/17/1404118417.db2.gz HOUZDAZWJHNLAG-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CN(C)C1(C(=O)NCc2ccc3c(c2)C[N@@H+](CC2CC2)C3)CCC1 ZINC001502650801 1404284239 /nfs/dbraw/zinc/28/42/39/1404284239.db2.gz ODODYQWIBMJEQE-UHFFFAOYSA-N 1 3 327.472 2.513 20 0 EFADHO CN(C)C1(C(=O)NCc2ccc3c(c2)C[N@H+](CC2CC2)C3)CCC1 ZINC001502650801 1404284246 /nfs/dbraw/zinc/28/42/46/1404284246.db2.gz ODODYQWIBMJEQE-UHFFFAOYSA-N 1 3 327.472 2.513 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502741860 1404320073 /nfs/dbraw/zinc/32/00/73/1404320073.db2.gz MMTHPRDQPGVCLG-PKOBYXMFSA-N 1 3 345.531 2.909 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001503002746 1404455935 /nfs/dbraw/zinc/45/59/35/1404455935.db2.gz NANDAFBVXJUMJJ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001503002746 1404455936 /nfs/dbraw/zinc/45/59/36/1404455936.db2.gz NANDAFBVXJUMJJ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)N1CCCCC1 ZINC001505813813 1405101377 /nfs/dbraw/zinc/10/13/77/1405101377.db2.gz VKPOMMVUIFYAIT-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936167 1405248688 /nfs/dbraw/zinc/24/86/88/1405248688.db2.gz WFBGCJNYTWZZCD-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936167 1405248693 /nfs/dbraw/zinc/24/86/93/1405248693.db2.gz WFBGCJNYTWZZCD-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cnccc1C ZINC001506577672 1405997693 /nfs/dbraw/zinc/99/76/93/1405997693.db2.gz BEASIZKPRXDGQY-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCCN1Cc1cnccc1C ZINC001506577672 1405997701 /nfs/dbraw/zinc/99/77/01/1405997701.db2.gz BEASIZKPRXDGQY-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc3nccnc3c2)CC1 ZINC001551238700 1413969765 /nfs/dbraw/zinc/96/97/65/1413969765.db2.gz VKLVDUYYFCDIAK-UHFFFAOYSA-N 1 3 340.471 2.753 20 0 EFADHO Cn1ccc(-c2nc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)cs2)n1 ZINC001551258001 1413980130 /nfs/dbraw/zinc/98/01/30/1413980130.db2.gz BPJFZOAWPZAOGQ-SQWLQELKSA-N 1 3 345.516 2.706 20 0 EFADHO Cc1nn2c(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)c(C)nc2s1 ZINC001551262755 1413983679 /nfs/dbraw/zinc/98/36/79/1413983679.db2.gz RUZQZZYODCSMKG-SOUVJXGZSA-N 1 3 333.505 2.570 20 0 EFADHO Cc1ccc2oc(=O)n(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)c2c1 ZINC001551380670 1414050055 /nfs/dbraw/zinc/05/00/55/1414050055.db2.gz DWFXOGJVQCSKCK-ARFHVFGLSA-N 1 3 329.444 2.523 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3cnc(-c4ccccc4)n3)C[C@H]2C1 ZINC001551382074 1414050406 /nfs/dbraw/zinc/05/04/06/1414050406.db2.gz LVNWEEKAYOLACW-KZNAEPCWSA-N 1 3 325.460 2.565 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3cnc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001551382071 1414050672 /nfs/dbraw/zinc/05/06/72/1414050672.db2.gz LVNWEEKAYOLACW-FGTMMUONSA-N 1 3 325.460 2.565 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3ccc(-c4ccc(F)cn4)n3)C[C@H]2C1 ZINC001551382909 1414051829 /nfs/dbraw/zinc/05/18/29/1414051829.db2.gz YJHMJOSMYZGLMR-ZMSDIMECSA-N 1 3 343.450 2.704 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC001551389237 1414055117 /nfs/dbraw/zinc/05/51/17/1414055117.db2.gz KGTDXJULUFTLGX-SCCNAQOGSA-N 1 3 343.515 2.888 20 0 EFADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC001551392164 1414057661 /nfs/dbraw/zinc/05/76/61/1414057661.db2.gz SLKJXUDWAJEIFC-KZIZELGASA-N 1 3 336.520 2.813 20 0 EFADHO C[C@@H]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@@H+]1C ZINC001552235604 1414384084 /nfs/dbraw/zinc/38/40/84/1414384084.db2.gz VDXFCGUZTCQSJI-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@H+]1C ZINC001552235604 1414384089 /nfs/dbraw/zinc/38/40/89/1414384089.db2.gz VDXFCGUZTCQSJI-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC001552274858 1414401373 /nfs/dbraw/zinc/40/13/73/1414401373.db2.gz MJQHLHWRPSDABK-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)[C@H]1c1ccccc1 ZINC001552300400 1414414259 /nfs/dbraw/zinc/41/42/59/1414414259.db2.gz CUPAOUIBAITFFW-SLFFLAALSA-N 1 3 341.499 2.813 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)[C@H]1c1ccccc1 ZINC001552300400 1414414263 /nfs/dbraw/zinc/41/42/63/1414414263.db2.gz CUPAOUIBAITFFW-SLFFLAALSA-N 1 3 341.499 2.813 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc21 ZINC001552469047 1414460277 /nfs/dbraw/zinc/46/02/77/1414460277.db2.gz IXUVCCSBSIBCMI-SJLPKXTDSA-N 1 3 338.455 2.924 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001552523926 1414477706 /nfs/dbraw/zinc/47/77/06/1414477706.db2.gz IFODLXLHVNTWQR-IPMKNSEASA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552523926 1414477710 /nfs/dbraw/zinc/47/77/10/1414477710.db2.gz IFODLXLHVNTWQR-IPMKNSEASA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC001552523926 1414477714 /nfs/dbraw/zinc/47/77/14/1414477714.db2.gz IFODLXLHVNTWQR-IPMKNSEASA-N 1 3 346.519 2.696 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)cc1 ZINC001552840486 1414580986 /nfs/dbraw/zinc/58/09/86/1414580986.db2.gz QUCKQJJZZHRWPL-LZLYRXPVSA-N 1 3 335.879 2.591 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001552844611 1414582629 /nfs/dbraw/zinc/58/26/29/1414582629.db2.gz LUFMEUMCMFSGHX-MSOLQXFVSA-N 1 3 349.906 2.586 20 0 EFADHO [NH3+]C[C@@H]1CN(C[C@H]2CCC3(CCOCC3)CO2)C[C@@H]1c1ccccc1 ZINC001552895296 1414600163 /nfs/dbraw/zinc/60/01/63/1414600163.db2.gz ANVZNQONGOZFSL-VAMGGRTRSA-N 1 3 344.499 2.637 20 0 EFADHO O=C(N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1cc2c(s1)CCNC2 ZINC001552926378 1414607008 /nfs/dbraw/zinc/60/70/08/1414607008.db2.gz WVHNSZCELQNEHP-AWEZNQCLSA-N 1 3 333.501 2.579 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCN[C@H]3C2(C)C)C1 ZINC001553023245 1414648060 /nfs/dbraw/zinc/64/80/60/1414648060.db2.gz CEGIETZTFDKGED-WOUAJJJCSA-N 1 3 343.515 2.888 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001553024365 1414648463 /nfs/dbraw/zinc/64/84/63/1414648463.db2.gz ZNOULFTZEUSQKZ-ZNMIVQPWSA-N 1 3 333.442 2.627 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(C2)CCCC[NH2+]3)N(C)C)cc1 ZINC001553444679 1414815760 /nfs/dbraw/zinc/81/57/60/1414815760.db2.gz XVEAHBAEKRQHLJ-QUCCMNQESA-N 1 3 344.503 2.525 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H](c1ccccc1)N(C)C ZINC001553481459 1414834130 /nfs/dbraw/zinc/83/41/30/1414834130.db2.gz KCRVUCDFEXHOPV-XKGZKEIXSA-N 1 3 344.503 2.605 20 0 EFADHO NCc1cn([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC001553857925 1414942752 /nfs/dbraw/zinc/94/27/52/1414942752.db2.gz LPAIMCHHRRQMDO-MRXNPFEDSA-N 1 3 339.468 2.912 20 0 EFADHO NCc1cn([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC001553857925 1414942756 /nfs/dbraw/zinc/94/27/56/1414942756.db2.gz LPAIMCHHRRQMDO-MRXNPFEDSA-N 1 3 339.468 2.912 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001566948919 1415863889 /nfs/dbraw/zinc/86/38/89/1415863889.db2.gz UMMRAEGBHWRPFN-KRWDZBQOSA-N 1 3 346.500 2.617 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)C3CCCCC3)C2)CC1 ZINC001645892711 1416581462 /nfs/dbraw/zinc/58/14/62/1416581462.db2.gz KEQAARKSAAXLHY-IEBWSBKVSA-N 1 3 335.536 2.865 20 0 EFADHO Cc1ccc(F)c(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)c1 ZINC000116913736 1416993681 /nfs/dbraw/zinc/99/36/81/1416993681.db2.gz IUNCPPPRGNIJIZ-UHFFFAOYSA-N 1 3 328.435 2.571 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000133164164 1417297997 /nfs/dbraw/zinc/29/79/97/1417297997.db2.gz WRQKUKDNJNXVCE-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cccc3cccnc32)ccn1 ZINC000136222152 1417300738 /nfs/dbraw/zinc/30/07/38/1417300738.db2.gz BFYUOCRFVHTZIL-UHFFFAOYSA-N 1 3 336.439 2.860 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136589174 1417300810 /nfs/dbraw/zinc/30/08/10/1417300810.db2.gz LCVSBPVCQASBBA-UXHICEINSA-N 1 3 345.487 2.503 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1)N(C)C ZINC001712953170 1418291269 /nfs/dbraw/zinc/29/12/69/1418291269.db2.gz CSBPHIYNJFIZOM-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1)N(C)C ZINC001712953170 1418291271 /nfs/dbraw/zinc/29/12/71/1418291271.db2.gz CSBPHIYNJFIZOM-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO COCC[NH+]1CCC(NCc2cccc(Br)c2)CC1 ZINC000237109615 1418517043 /nfs/dbraw/zinc/51/70/43/1418517043.db2.gz CEDCLAMQQVLZDL-UHFFFAOYSA-N 1 3 327.266 2.650 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]1CNCC=C(Cl)Cl ZINC001716790949 1419010535 /nfs/dbraw/zinc/01/05/35/1419010535.db2.gz SFRUHVSRAXQZQN-CQSZACIVSA-N 1 3 348.318 2.762 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001717122388 1419224239 /nfs/dbraw/zinc/22/42/39/1419224239.db2.gz CLVJVLNNPZNNMM-MIDHCONTSA-N 1 3 329.916 2.590 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC001020542120 713122410 /nfs/dbraw/zinc/12/24/10/713122410.db2.gz VSLXNDIMGAZJIP-QAQDUYKDSA-N 1 3 349.906 2.727 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001027893037 717892935 /nfs/dbraw/zinc/89/29/35/717892935.db2.gz KUEGUFSKFOUHKR-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C)cc2)CC[N@H+]1C ZINC001027893037 717892938 /nfs/dbraw/zinc/89/29/38/717892938.db2.gz KUEGUFSKFOUHKR-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC000969588175 713179842 /nfs/dbraw/zinc/17/98/42/713179842.db2.gz FWESAZQEDIGZNA-FGTMMUONSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969652008 713204791 /nfs/dbraw/zinc/20/47/91/713204791.db2.gz CPCPGBXCFDCCQG-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969652009 713204869 /nfs/dbraw/zinc/20/48/69/713204869.db2.gz CPCPGBXCFDCCQG-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969654451 713205968 /nfs/dbraw/zinc/20/59/68/713205968.db2.gz QIAHBOSABJUHMG-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969655707 713206594 /nfs/dbraw/zinc/20/65/94/713206594.db2.gz ZYSMGMXMVGBTQT-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3ccccc3F)C2)C1 ZINC000969674716 713213637 /nfs/dbraw/zinc/21/36/37/713213637.db2.gz OESAVAIIVKKQLW-ZWKOTPCHSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3ccccc3F)C2)C1 ZINC000969674716 713213639 /nfs/dbraw/zinc/21/36/39/713213639.db2.gz OESAVAIIVKKQLW-ZWKOTPCHSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC000969700878 713223666 /nfs/dbraw/zinc/22/36/66/713223666.db2.gz QVKQNRYORJBISF-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC000969700878 713223669 /nfs/dbraw/zinc/22/36/69/713223669.db2.gz QVKQNRYORJBISF-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969793644 713264110 /nfs/dbraw/zinc/26/41/10/713264110.db2.gz QJYHLSCWMKIMLU-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001020587501 713266482 /nfs/dbraw/zinc/26/64/82/713266482.db2.gz IMPFTFOEXYVEGI-XIRDDKMYSA-N 1 3 349.906 2.604 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001020587674 713266627 /nfs/dbraw/zinc/26/66/27/713266627.db2.gz QCECXSSVHJVXRI-QUIPCFFLSA-N 1 3 345.462 2.534 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001020587821 713266747 /nfs/dbraw/zinc/26/67/47/713266747.db2.gz WADYIUQKPVELDP-QZHFEQFPSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001020588419 713266829 /nfs/dbraw/zinc/26/68/29/713266829.db2.gz AGRDIXXKKFCZCU-SNRMKQJTSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001020589231 713267209 /nfs/dbraw/zinc/26/72/09/713267209.db2.gz ZRPNDAJKMWVSQX-WDSOQIARSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001020586552 713267414 /nfs/dbraw/zinc/26/74/14/713267414.db2.gz QMXBKSRSAFTYAK-FVQBIDKESA-N 1 3 335.879 2.561 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001020586564 713267445 /nfs/dbraw/zinc/26/74/45/713267445.db2.gz RFJDVAQDQALMCT-DTTOXWODSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586759 713267580 /nfs/dbraw/zinc/26/75/80/713267580.db2.gz YJUWPRYGKBBSFT-ZTFGCOKTSA-N 1 3 349.906 2.870 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001020590046 713268654 /nfs/dbraw/zinc/26/86/54/713268654.db2.gz KXAGDLXOQLFRHJ-PSBWJHGTSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1Cl ZINC001020590051 713268738 /nfs/dbraw/zinc/26/87/38/713268738.db2.gz KXKJHJCCHYYMLW-VGWMRTNUSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1Cl ZINC001020590050 713268802 /nfs/dbraw/zinc/26/88/02/713268802.db2.gz KXKJHJCCHYYMLW-QKPAOTATSA-N 1 3 349.906 2.980 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001020591683 713270066 /nfs/dbraw/zinc/27/00/66/713270066.db2.gz RWMFNAWQBLUGLJ-IYARVYRRSA-N 1 3 335.536 2.926 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001020592034 713270097 /nfs/dbraw/zinc/27/00/97/713270097.db2.gz YVZWJRZDSKRQIW-IYARVYRRSA-N 1 3 347.547 2.926 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836609 713276460 /nfs/dbraw/zinc/27/64/60/713276460.db2.gz NCUHAGGMGCLBFO-QFBILLFUSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836609 713276462 /nfs/dbraw/zinc/27/64/62/713276462.db2.gz NCUHAGGMGCLBFO-QFBILLFUSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836607 713276534 /nfs/dbraw/zinc/27/65/34/713276534.db2.gz NCUHAGGMGCLBFO-LPHOPBHVSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836607 713276536 /nfs/dbraw/zinc/27/65/36/713276536.db2.gz NCUHAGGMGCLBFO-LPHOPBHVSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000969844348 713280974 /nfs/dbraw/zinc/28/09/74/713280974.db2.gz IVBQXMDXPQDXMU-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC000969844345 713281056 /nfs/dbraw/zinc/28/10/56/713281056.db2.gz ISYRGFDFSOHZFR-NZSAHSFTSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC000969947292 713320000 /nfs/dbraw/zinc/32/00/00/713320000.db2.gz CUHGFOKRLQLSIJ-SUMWQHHRSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000969949634 713320421 /nfs/dbraw/zinc/32/04/21/713320421.db2.gz WMQDADGGEWORAG-CHWSQXEVSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(CC2=CCCCC2)C1 ZINC000969950974 713320763 /nfs/dbraw/zinc/32/07/63/713320763.db2.gz XBTPZVMCXDXVGR-QGZVFWFLSA-N 1 3 345.531 2.799 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000969965704 713325051 /nfs/dbraw/zinc/32/50/51/713325051.db2.gz UTFCLBHRMTWQAQ-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)c1 ZINC000969968583 713326417 /nfs/dbraw/zinc/32/64/17/713326417.db2.gz SJZBKTVZFBNHMR-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)c1 ZINC000969968583 713326419 /nfs/dbraw/zinc/32/64/19/713326419.db2.gz SJZBKTVZFBNHMR-QGZVFWFLSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC000969985612 713334461 /nfs/dbraw/zinc/33/44/61/713334461.db2.gz JRTKWOGFNVUUSA-KURKYZTESA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC000969985456 713334476 /nfs/dbraw/zinc/33/44/76/713334476.db2.gz IXYVGWIFZLNZTA-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC000969986078 713334724 /nfs/dbraw/zinc/33/47/24/713334724.db2.gz QZFXICTTYYLAQQ-NXHRZFHOSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC000969986350 713334831 /nfs/dbraw/zinc/33/48/31/713334831.db2.gz YLNLZBIVJGXNBH-BVGQSLNGSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC000969992073 713336805 /nfs/dbraw/zinc/33/68/05/713336805.db2.gz SZAUZEZJLATGPH-QUCCMNQESA-N 1 3 339.483 2.871 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC000970047929 713357786 /nfs/dbraw/zinc/35/77/86/713357786.db2.gz QQOTZJXMQKTLIE-QGZVFWFLSA-N 1 3 341.499 2.560 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020927711 713441993 /nfs/dbraw/zinc/44/19/93/713441993.db2.gz OYZFFLQWWFATHO-LEUOFYLZSA-N 1 3 347.478 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001021093998 713563868 /nfs/dbraw/zinc/56/38/68/713563868.db2.gz JMJXCVYYFNDZOO-QZHFEQFPSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001021094061 713563992 /nfs/dbraw/zinc/56/39/92/713563992.db2.gz KRQWBTUAGGPITQ-VAMGGRTRSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001021094186 713564453 /nfs/dbraw/zinc/56/44/53/713564453.db2.gz MUTZYCXEYJHVSZ-QZHFEQFPSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001021094714 713564726 /nfs/dbraw/zinc/56/47/26/713564726.db2.gz ZBTQUTZETHKMSK-WNHJNPCNSA-N 1 3 329.488 2.859 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001021094532 713564741 /nfs/dbraw/zinc/56/47/41/713564741.db2.gz RGEAQVVWMUFKBG-XQZJPKQNSA-N 1 3 329.488 2.645 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001021096752 713575016 /nfs/dbraw/zinc/57/50/16/713575016.db2.gz XCXHVSSZHHGOAI-GUDVDZBRSA-N 1 3 347.478 2.767 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001021096457 713575028 /nfs/dbraw/zinc/57/50/28/713575028.db2.gz UCEAKPSQEBKDPJ-ZHALLVOQSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001021096336 713575056 /nfs/dbraw/zinc/57/50/56/713575056.db2.gz OKLXPVHSLNHFAM-GUDVDZBRSA-N 1 3 333.520 2.988 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001021096450 713575106 /nfs/dbraw/zinc/57/51/06/713575106.db2.gz TXTQBWTZSOPFSA-FHWLQOOXSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001021096736 713575165 /nfs/dbraw/zinc/57/51/65/713575165.db2.gz WPQLRRUQJPRTHJ-FPCVCCKLSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325382 713635443 /nfs/dbraw/zinc/63/54/43/713635443.db2.gz DYYCCHRORRTUKP-CRAIPNDOSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325382 713635445 /nfs/dbraw/zinc/63/54/45/713635445.db2.gz DYYCCHRORRTUKP-CRAIPNDOSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000970325957 713635940 /nfs/dbraw/zinc/63/59/40/713635940.db2.gz LNYUUQIJYPJZNU-SCTDSRPQSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000970325957 713635943 /nfs/dbraw/zinc/63/59/43/713635943.db2.gz LNYUUQIJYPJZNU-SCTDSRPQSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000970336852 713639729 /nfs/dbraw/zinc/63/97/29/713639729.db2.gz FXEKJPZSKYUXME-UYAOXDASSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](NC(=O)c1occc1CN(C)C)C1C[NH+](Cc2ccsc2)C1 ZINC000970338743 713640651 /nfs/dbraw/zinc/64/06/51/713640651.db2.gz HDAUXVUYTLFIIS-CYBMUJFWSA-N 1 3 347.484 2.653 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC000970335563 713644723 /nfs/dbraw/zinc/64/47/23/713644723.db2.gz RJWAQIMPWDUWNM-IEBWSBKVSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC000970366967 713667170 /nfs/dbraw/zinc/66/71/70/713667170.db2.gz OMLTYJIIVRVMPH-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021274069 713725711 /nfs/dbraw/zinc/72/57/11/713725711.db2.gz LEVRZIBZWIIQSC-IPQPSQTFSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021274069 713725713 /nfs/dbraw/zinc/72/57/13/713725713.db2.gz LEVRZIBZWIIQSC-IPQPSQTFSA-N 1 3 333.520 2.773 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000970482898 713742924 /nfs/dbraw/zinc/74/29/24/713742924.db2.gz CLKKNGAWKXYKKC-DOTOQJQBSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000970482898 713742925 /nfs/dbraw/zinc/74/29/25/713742925.db2.gz CLKKNGAWKXYKKC-DOTOQJQBSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC000970490777 713750808 /nfs/dbraw/zinc/75/08/08/713750808.db2.gz BEYHGKJLFMMCAW-LSDHHAIUSA-N 1 3 347.890 2.687 20 0 EFADHO COc1ccc2nccc(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000892485745 717928771 /nfs/dbraw/zinc/92/87/71/717928771.db2.gz NDUGXUHYEDXCDX-UHFFFAOYSA-N 1 3 329.444 2.790 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CCCC2)C1 ZINC001021380499 713852265 /nfs/dbraw/zinc/85/22/65/713852265.db2.gz IOSVLSNWOZUQDO-BPIHKTFHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CCCC2)C1 ZINC001021380499 713852267 /nfs/dbraw/zinc/85/22/67/713852267.db2.gz IOSVLSNWOZUQDO-BPIHKTFHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021380775 713852816 /nfs/dbraw/zinc/85/28/16/713852816.db2.gz UQNNBSGGGUXRIA-BPIHKTFHSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021380775 713852818 /nfs/dbraw/zinc/85/28/18/713852818.db2.gz UQNNBSGGGUXRIA-BPIHKTFHSA-N 1 3 333.520 2.773 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000970716436 713930364 /nfs/dbraw/zinc/93/03/64/713930364.db2.gz FHOWIZPRUDTTMA-MRXNPFEDSA-N 1 3 343.496 2.688 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000970716909 713930623 /nfs/dbraw/zinc/93/06/23/713930623.db2.gz ILFMGNUUJJAFPV-MSOLQXFVSA-N 1 3 333.451 2.563 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)c1 ZINC000970786126 713992305 /nfs/dbraw/zinc/99/23/05/713992305.db2.gz PLEMBXBMJUJXQE-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC000970804309 714013572 /nfs/dbraw/zinc/01/35/72/714013572.db2.gz SFDQOUVCJMLRKL-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929403 714145944 /nfs/dbraw/zinc/14/59/44/714145944.db2.gz QVCZYFLYSIXUMC-JKSUJKDBSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000970930042 714147397 /nfs/dbraw/zinc/14/73/97/714147397.db2.gz VXWWTLDMCKFTEV-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCC3)CC[C@H]21)C1CCC1 ZINC001021605049 714164196 /nfs/dbraw/zinc/16/41/96/714164196.db2.gz JFTBKRWBGNQTCH-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)CC[C@H]21)C1CCC1 ZINC001021605049 714164201 /nfs/dbraw/zinc/16/42/01/714164201.db2.gz JFTBKRWBGNQTCH-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CCC3CC3)CC[C@H]21)C1CCC1 ZINC001021606452 714166573 /nfs/dbraw/zinc/16/65/73/714166573.db2.gz QEPSRECSEWRLJP-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21)C1CCC1 ZINC001021606452 714166575 /nfs/dbraw/zinc/16/65/75/714166575.db2.gz QEPSRECSEWRLJP-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000261544333 714230329 /nfs/dbraw/zinc/23/03/29/714230329.db2.gz DSOAKMOMISCDTM-QGZVFWFLSA-N 1 3 331.504 2.922 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670762 714273719 /nfs/dbraw/zinc/27/37/19/714273719.db2.gz OHWPUUZKYRQTOW-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670762 714273721 /nfs/dbraw/zinc/27/37/21/714273721.db2.gz OHWPUUZKYRQTOW-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CCO[C@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](OCC)C3)c2)C1 ZINC000932970764 714376955 /nfs/dbraw/zinc/37/69/55/714376955.db2.gz YCIDYUAJUDDJFF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CCO[C@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](OCC)C3)c2)C1 ZINC000932970764 714376957 /nfs/dbraw/zinc/37/69/57/714376957.db2.gz YCIDYUAJUDDJFF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203151 714463134 /nfs/dbraw/zinc/46/31/34/714463134.db2.gz DHAMNKCOTZGCRA-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203151 714463135 /nfs/dbraw/zinc/46/31/35/714463135.db2.gz DHAMNKCOTZGCRA-WOJBJXKFSA-N 1 3 343.515 2.937 20 0 EFADHO CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C)C1 ZINC000891393451 714602642 /nfs/dbraw/zinc/60/26/42/714602642.db2.gz GNUIKKHDMQGVDH-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000160924159 714638067 /nfs/dbraw/zinc/63/80/67/714638067.db2.gz BIFBFBPSJRCMGI-GDBMZVCRSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000160924159 714638070 /nfs/dbraw/zinc/63/80/70/714638070.db2.gz BIFBFBPSJRCMGI-GDBMZVCRSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524888 714689850 /nfs/dbraw/zinc/68/98/50/714689850.db2.gz LQOVSFKZZBGARM-OALUTQOASA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971524888 714689851 /nfs/dbraw/zinc/68/98/51/714689851.db2.gz LQOVSFKZZBGARM-OALUTQOASA-N 1 3 347.478 2.731 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[NH2+]CCC23CCC3)N(C)C)cc1 ZINC000891445404 714707193 /nfs/dbraw/zinc/70/71/93/714707193.db2.gz KEXOTEKYOSXFQI-SFHVURJKSA-N 1 3 344.503 2.525 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022069922 714719540 /nfs/dbraw/zinc/71/95/40/714719540.db2.gz OURQVKWNOHZCHY-DUBPFDJUSA-N 1 3 335.536 2.922 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001022070171 714719640 /nfs/dbraw/zinc/71/96/40/714719640.db2.gz REUQREANTBBXGE-ZCNNSNEGSA-N 1 3 343.515 2.647 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001022070009 714719703 /nfs/dbraw/zinc/71/97/03/714719703.db2.gz QFRWQCIWWPEJKB-LVQVYYBASA-N 1 3 343.462 2.531 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)N1CCCCC1 ZINC001022081837 714735390 /nfs/dbraw/zinc/73/53/90/714735390.db2.gz PJBOLRDLPZMJQS-FQBWVUSXSA-N 1 3 347.547 2.924 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000891475687 714776128 /nfs/dbraw/zinc/77/61/28/714776128.db2.gz JBSFMHVCKBRJSU-HKUYNNGSSA-N 1 3 346.519 2.663 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC000971676158 714873796 /nfs/dbraw/zinc/87/37/96/714873796.db2.gz CDMCHRIRDBQGJG-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC000971676158 714873798 /nfs/dbraw/zinc/87/37/98/714873798.db2.gz CDMCHRIRDBQGJG-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971678416 714875514 /nfs/dbraw/zinc/87/55/14/714875514.db2.gz MLNXSPMGMZUBEI-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971678416 714875517 /nfs/dbraw/zinc/87/55/17/714875517.db2.gz MLNXSPMGMZUBEI-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681437 714878240 /nfs/dbraw/zinc/87/82/40/714878240.db2.gz CTKNLHJOYMWBBT-QZTJIDSGSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000971681437 714878242 /nfs/dbraw/zinc/87/82/42/714878242.db2.gz CTKNLHJOYMWBBT-QZTJIDSGSA-N 1 3 349.906 2.713 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687976 714883069 /nfs/dbraw/zinc/88/30/69/714883069.db2.gz RKLMCYRNOZOSMM-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687976 714883070 /nfs/dbraw/zinc/88/30/70/714883070.db2.gz RKLMCYRNOZOSMM-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688528 714883396 /nfs/dbraw/zinc/88/33/96/714883396.db2.gz WYQLRNISCFDIHT-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688528 714883397 /nfs/dbraw/zinc/88/33/97/714883397.db2.gz WYQLRNISCFDIHT-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685433 714885190 /nfs/dbraw/zinc/88/51/90/714885190.db2.gz MDTJQJROINFIOD-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685433 714885192 /nfs/dbraw/zinc/88/51/92/714885192.db2.gz MDTJQJROINFIOD-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686802 714886578 /nfs/dbraw/zinc/88/65/78/714886578.db2.gz FUWSBZJSBPQEAX-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686802 714886579 /nfs/dbraw/zinc/88/65/79/714886579.db2.gz FUWSBZJSBPQEAX-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687128 714886810 /nfs/dbraw/zinc/88/68/10/714886810.db2.gz JXOOFVVEXFBFNQ-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687128 714886811 /nfs/dbraw/zinc/88/68/11/714886811.db2.gz JXOOFVVEXFBFNQ-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689437 714887678 /nfs/dbraw/zinc/88/76/78/714887678.db2.gz ICVVTYOEVJEBLZ-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689437 714887682 /nfs/dbraw/zinc/88/76/82/714887682.db2.gz ICVVTYOEVJEBLZ-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971734777 714921085 /nfs/dbraw/zinc/92/10/85/714921085.db2.gz FUUWICKJMXBWSS-UXHICEINSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971734777 714921089 /nfs/dbraw/zinc/92/10/89/714921089.db2.gz FUUWICKJMXBWSS-UXHICEINSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000971735892 714921653 /nfs/dbraw/zinc/92/16/53/714921653.db2.gz NQZGWGDPJYVMRE-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000971735892 714921659 /nfs/dbraw/zinc/92/16/59/714921659.db2.gz NQZGWGDPJYVMRE-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000971780452 714953928 /nfs/dbraw/zinc/95/39/28/714953928.db2.gz ZHUYRUOVZKIXAK-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000971780452 714953929 /nfs/dbraw/zinc/95/39/29/714953929.db2.gz ZHUYRUOVZKIXAK-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000971777264 714956093 /nfs/dbraw/zinc/95/60/93/714956093.db2.gz CVGYFCAJZVFKDH-VQTJNVASSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000971777264 714956096 /nfs/dbraw/zinc/95/60/96/714956096.db2.gz CVGYFCAJZVFKDH-VQTJNVASSA-N 1 3 343.515 2.548 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000971777528 714956197 /nfs/dbraw/zinc/95/61/97/714956197.db2.gz DVJHGHVSFPGDAN-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000971777528 714956199 /nfs/dbraw/zinc/95/61/99/714956199.db2.gz DVJHGHVSFPGDAN-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971777527 714956370 /nfs/dbraw/zinc/95/63/70/714956370.db2.gz DSSSKPBYQHAWKF-WOJBJXKFSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971777527 714956372 /nfs/dbraw/zinc/95/63/72/714956372.db2.gz DSSSKPBYQHAWKF-WOJBJXKFSA-N 1 3 345.531 2.664 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001022278241 714961235 /nfs/dbraw/zinc/96/12/35/714961235.db2.gz IOJVPAWYNBPIRE-MJQMVNBJSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001022278241 714961238 /nfs/dbraw/zinc/96/12/38/714961238.db2.gz IOJVPAWYNBPIRE-MJQMVNBJSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001022278244 714961525 /nfs/dbraw/zinc/96/15/25/714961525.db2.gz IOJVPAWYNBPIRE-ZMMAXQRCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001022278244 714961527 /nfs/dbraw/zinc/96/15/27/714961527.db2.gz IOJVPAWYNBPIRE-ZMMAXQRCSA-N 1 3 345.462 2.579 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)c(C)s1 ZINC000971789457 714961763 /nfs/dbraw/zinc/96/17/63/714961763.db2.gz MSRHKJXRADZUAT-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)c(C)s1 ZINC000971789457 714961764 /nfs/dbraw/zinc/96/17/64/714961764.db2.gz MSRHKJXRADZUAT-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000161087323 714998074 /nfs/dbraw/zinc/99/80/74/714998074.db2.gz DJIJGYSCIISLBL-NRDMVMEKSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039447907 715009054 /nfs/dbraw/zinc/00/90/54/715009054.db2.gz OYAFAYXDEWMXDA-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001039447907 715009055 /nfs/dbraw/zinc/00/90/55/715009055.db2.gz OYAFAYXDEWMXDA-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)N(C)C ZINC000891894584 715098088 /nfs/dbraw/zinc/09/80/88/715098088.db2.gz OWYNGVXJROGNKN-NXJYUQPGSA-N 1 3 344.503 2.508 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724048150 715116403 /nfs/dbraw/zinc/11/64/03/715116403.db2.gz MENVJWVERZZBJL-CVEARBPZSA-N 1 3 327.513 3.000 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001024630433 718040182 /nfs/dbraw/zinc/04/01/82/718040182.db2.gz PZAJHUQSYCCFHZ-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027044264 715340470 /nfs/dbraw/zinc/34/04/70/715340470.db2.gz TXHXDWRKKVYVNW-VQIMIIECSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712230 715408154 /nfs/dbraw/zinc/40/81/54/715408154.db2.gz MWQXXDPVDCUNTQ-XWTMOSNGSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC001022711624 715409158 /nfs/dbraw/zinc/40/91/58/715409158.db2.gz CEXIKQGQVVEYSQ-YHUYYLMFSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001022712451 715411568 /nfs/dbraw/zinc/41/15/68/715411568.db2.gz QRALHHAKQUGUDX-OGWHTMIXSA-N 1 3 329.488 2.777 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001022712568 715411606 /nfs/dbraw/zinc/41/16/06/715411606.db2.gz UIZLHQBNMQDKKT-FFZOFVMBSA-N 1 3 343.515 2.860 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001022712550 715411709 /nfs/dbraw/zinc/41/17/09/715411709.db2.gz TTYDPGGDNGLMEH-YTQUADARSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001022712789 715413202 /nfs/dbraw/zinc/41/32/02/715413202.db2.gz ZQICBVXEQOVQHP-NXHRZFHOSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063095 715415354 /nfs/dbraw/zinc/41/53/54/715415354.db2.gz HKODUXNWCPDAIF-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001027063574 715416586 /nfs/dbraw/zinc/41/65/86/715416586.db2.gz NTBBHLBFVNASCT-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001027063785 715417250 /nfs/dbraw/zinc/41/72/50/715417250.db2.gz SAYZVXIXYWQFQE-WMLDXEAASA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001027063783 715417351 /nfs/dbraw/zinc/41/73/51/715417351.db2.gz SAYZVXIXYWQFQE-PBHICJAKSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063843 715417381 /nfs/dbraw/zinc/41/73/81/715417381.db2.gz SZQCOJJWEWGUTP-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001022713696 715418598 /nfs/dbraw/zinc/41/85/98/715418598.db2.gz LMMJVKLETAKGLT-RYGJVYDSSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027065143 715419578 /nfs/dbraw/zinc/41/95/78/715419578.db2.gz RPGCROKOBVHBSR-HKUYNNGSSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065449 715421343 /nfs/dbraw/zinc/42/13/43/715421343.db2.gz YWJOWOQCFLGCJG-MJGOQNOKSA-N 1 3 335.536 2.737 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027065370 715421610 /nfs/dbraw/zinc/42/16/10/715421610.db2.gz XGIAPSZYFLODOZ-YLJYHZDGSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001022716582 715433087 /nfs/dbraw/zinc/43/30/87/715433087.db2.gz AGRDIXXKKFCZCU-LZQZEXGQSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716845 715434589 /nfs/dbraw/zinc/43/45/89/715434589.db2.gz KDFWVZJMKLKOHM-HDICACEKSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022717178 715435493 /nfs/dbraw/zinc/43/54/93/715435493.db2.gz SCMRKRLDQFPADN-HDICACEKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001022717017 715437363 /nfs/dbraw/zinc/43/73/63/715437363.db2.gz MQZAEKCIYMIQRX-NXHRZFHOSA-N 1 3 329.488 2.716 20 0 EFADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041229 715445834 /nfs/dbraw/zinc/44/58/34/715445834.db2.gz RYJFCRGZFPEVSO-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041229 715445837 /nfs/dbraw/zinc/44/58/37/715445837.db2.gz RYJFCRGZFPEVSO-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041231 715445941 /nfs/dbraw/zinc/44/59/41/715445941.db2.gz RYJFCRGZFPEVSO-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041231 715445945 /nfs/dbraw/zinc/44/59/45/715445945.db2.gz RYJFCRGZFPEVSO-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331251 715466163 /nfs/dbraw/zinc/46/61/63/715466163.db2.gz DTRXOPKTNZXHOR-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331251 715466167 /nfs/dbraw/zinc/46/61/67/715466167.db2.gz DTRXOPKTNZXHOR-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001027334965 715467532 /nfs/dbraw/zinc/46/75/32/715467532.db2.gz ZFSVPAQRWFFRCL-DLBZAZTESA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001027334965 715467536 /nfs/dbraw/zinc/46/75/36/715467536.db2.gz ZFSVPAQRWFFRCL-DLBZAZTESA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001027334768 715468113 /nfs/dbraw/zinc/46/81/13/715468113.db2.gz URUNWFFWNBGRMW-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001027334768 715468117 /nfs/dbraw/zinc/46/81/17/715468117.db2.gz URUNWFFWNBGRMW-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332911 715470798 /nfs/dbraw/zinc/47/07/98/715470798.db2.gz RXKZWZUMEVEPPV-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332911 715470800 /nfs/dbraw/zinc/47/08/00/715470800.db2.gz RXKZWZUMEVEPPV-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001027333724 715472300 /nfs/dbraw/zinc/47/23/00/715472300.db2.gz BKAHXDDMLONYFQ-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001027333724 715472306 /nfs/dbraw/zinc/47/23/06/715472306.db2.gz BKAHXDDMLONYFQ-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001027333722 715472536 /nfs/dbraw/zinc/47/25/36/715472536.db2.gz BKAHXDDMLONYFQ-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001027333722 715472540 /nfs/dbraw/zinc/47/25/40/715472540.db2.gz BKAHXDDMLONYFQ-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C(=O)NCCCCCCC[NH+]1CCCC1)[C@H]1CCCN(C)C1 ZINC000893402944 715479662 /nfs/dbraw/zinc/47/96/62/715479662.db2.gz VWCXQFKGLJWNDP-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001027070650 715494491 /nfs/dbraw/zinc/49/44/91/715494491.db2.gz VIIALFCDDYTTCR-ROUUACIJSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001027070888 715495351 /nfs/dbraw/zinc/49/53/51/715495351.db2.gz ZRVCLDWLAYMLKB-UZLBHIALSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1Cl ZINC001027090110 715542070 /nfs/dbraw/zinc/54/20/70/715542070.db2.gz KMAXQEVAHWRLPU-UONOGXRCSA-N 1 3 346.862 2.805 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cs1 ZINC000972265578 715612408 /nfs/dbraw/zinc/61/24/08/715612408.db2.gz MVRQIKCJCQNPKK-DLBZAZTESA-N 1 3 337.533 2.675 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038240566 715693221 /nfs/dbraw/zinc/69/32/21/715693221.db2.gz QTOXMGWDLCIXRS-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038240566 715693223 /nfs/dbraw/zinc/69/32/23/715693223.db2.gz QTOXMGWDLCIXRS-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972330092 715697481 /nfs/dbraw/zinc/69/74/81/715697481.db2.gz DLQHLTYMAWADPO-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972330092 715697485 /nfs/dbraw/zinc/69/74/85/715697485.db2.gz DLQHLTYMAWADPO-IEBWSBKVSA-N 1 3 329.488 2.512 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330022 715697812 /nfs/dbraw/zinc/69/78/12/715697812.db2.gz CXQJBOYWHBFQHU-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330022 715697814 /nfs/dbraw/zinc/69/78/14/715697814.db2.gz CXQJBOYWHBFQHU-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972331973 715702079 /nfs/dbraw/zinc/70/20/79/715702079.db2.gz NQSHXVDSYYROKI-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972331973 715702084 /nfs/dbraw/zinc/70/20/84/715702084.db2.gz NQSHXVDSYYROKI-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1F ZINC000972330774 715702213 /nfs/dbraw/zinc/70/22/13/715702213.db2.gz HCXMJNVLUZDZCM-FUHWJXTLSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1F ZINC000972330774 715702214 /nfs/dbraw/zinc/70/22/14/715702214.db2.gz HCXMJNVLUZDZCM-FUHWJXTLSA-N 1 3 347.478 2.651 20 0 EFADHO C[N@H+](CCC1CC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410478 715702649 /nfs/dbraw/zinc/70/26/49/715702649.db2.gz DWYOSNJECOSXIJ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CCC1CC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410478 715702652 /nfs/dbraw/zinc/70/26/52/715702652.db2.gz DWYOSNJECOSXIJ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000972332233 715702736 /nfs/dbraw/zinc/70/27/36/715702736.db2.gz ORBJWHCYDYIFNG-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000972332233 715702741 /nfs/dbraw/zinc/70/27/41/715702741.db2.gz ORBJWHCYDYIFNG-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972334760 715709005 /nfs/dbraw/zinc/70/90/05/715709005.db2.gz JNKYYVVXKBDINS-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972334760 715709008 /nfs/dbraw/zinc/70/90/08/715709008.db2.gz JNKYYVVXKBDINS-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972334596 715709122 /nfs/dbraw/zinc/70/91/22/715709122.db2.gz INGODBWYFOGUMB-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972334596 715709124 /nfs/dbraw/zinc/70/91/24/715709124.db2.gz INGODBWYFOGUMB-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333295 715709607 /nfs/dbraw/zinc/70/96/07/715709607.db2.gz VICKPAGSTMXGMX-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972333295 715709610 /nfs/dbraw/zinc/70/96/10/715709610.db2.gz VICKPAGSTMXGMX-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333530 715710560 /nfs/dbraw/zinc/71/05/60/715710560.db2.gz WRTMMKVTBPFBMG-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333530 715710564 /nfs/dbraw/zinc/71/05/64/715710564.db2.gz WRTMMKVTBPFBMG-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336527 715713083 /nfs/dbraw/zinc/71/30/83/715713083.db2.gz XYAPGPAPMPIXTD-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336527 715713089 /nfs/dbraw/zinc/71/30/89/715713089.db2.gz XYAPGPAPMPIXTD-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+](CCc1cccs1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338178 715714931 /nfs/dbraw/zinc/71/49/31/715714931.db2.gz DVDCUVXEFTUGGF-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO C[N@@H+](CCc1cccs1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338178 715714935 /nfs/dbraw/zinc/71/49/35/715714935.db2.gz DVDCUVXEFTUGGF-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3C(C)C)C2)cc1 ZINC001022808376 715728911 /nfs/dbraw/zinc/72/89/11/715728911.db2.gz USVRJIQKLDSPOZ-HSALFYBXSA-N 1 3 343.515 2.995 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001027416752 715729266 /nfs/dbraw/zinc/72/92/66/715729266.db2.gz LJWHNWDURGVSHK-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC001027416752 715729271 /nfs/dbraw/zinc/72/92/71/715729271.db2.gz LJWHNWDURGVSHK-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001022807704 715729930 /nfs/dbraw/zinc/72/99/30/715729930.db2.gz LPAGXUMURKLLIH-OTWHNJEPSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001022808442 715730047 /nfs/dbraw/zinc/73/00/47/715730047.db2.gz VXBBEEYAORRGES-HSALFYBXSA-N 1 3 343.515 2.729 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001022809202 715731243 /nfs/dbraw/zinc/73/12/43/715731243.db2.gz GVQCPCNYAXTBQZ-HDICACEKSA-N 1 3 347.478 2.603 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972352940 715737018 /nfs/dbraw/zinc/73/70/18/715737018.db2.gz DSSSKPBYQHAWKF-UXHICEINSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972352940 715737021 /nfs/dbraw/zinc/73/70/21/715737021.db2.gz DSSSKPBYQHAWKF-UXHICEINSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000972354552 715740486 /nfs/dbraw/zinc/74/04/86/715740486.db2.gz MDTKWCBSERBGBV-MJGOQNOKSA-N 1 3 342.487 2.541 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000972354552 715740493 /nfs/dbraw/zinc/74/04/93/715740493.db2.gz MDTKWCBSERBGBV-MJGOQNOKSA-N 1 3 342.487 2.541 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022837213 715777408 /nfs/dbraw/zinc/77/74/08/715777408.db2.gz RNTGEWCGWHJTND-SFNKJDCFSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022837213 715777410 /nfs/dbraw/zinc/77/74/10/715777410.db2.gz RNTGEWCGWHJTND-SFNKJDCFSA-N 1 3 345.462 2.579 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001027437398 715796486 /nfs/dbraw/zinc/79/64/86/715796486.db2.gz APMUOXCLKRHZGB-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001027437398 715796490 /nfs/dbraw/zinc/79/64/90/715796490.db2.gz APMUOXCLKRHZGB-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001027440999 715810453 /nfs/dbraw/zinc/81/04/53/715810453.db2.gz PJRBAORZAVXTOH-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001027440999 715810461 /nfs/dbraw/zinc/81/04/61/715810461.db2.gz PJRBAORZAVXTOH-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001027441498 715811897 /nfs/dbraw/zinc/81/18/97/715811897.db2.gz ULWWMIQRJQEJCX-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001027441498 715811900 /nfs/dbraw/zinc/81/19/00/715811900.db2.gz ULWWMIQRJQEJCX-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441606 715812013 /nfs/dbraw/zinc/81/20/13/715812013.db2.gz HBMAGWKOKDVHIF-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001027441606 715812015 /nfs/dbraw/zinc/81/20/15/715812015.db2.gz HBMAGWKOKDVHIF-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001027443197 715816470 /nfs/dbraw/zinc/81/64/70/715816470.db2.gz JRVLSTBDFCQTCU-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001027443197 715816471 /nfs/dbraw/zinc/81/64/71/715816471.db2.gz JRVLSTBDFCQTCU-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443399 715817160 /nfs/dbraw/zinc/81/71/60/715817160.db2.gz LMYWGNQMOLIQRE-RTBURBONSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443399 715817164 /nfs/dbraw/zinc/81/71/64/715817164.db2.gz LMYWGNQMOLIQRE-RTBURBONSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443396 715817580 /nfs/dbraw/zinc/81/75/80/715817580.db2.gz LMYWGNQMOLIQRE-RBUKOAKNSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443396 715817584 /nfs/dbraw/zinc/81/75/84/715817584.db2.gz LMYWGNQMOLIQRE-RBUKOAKNSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443779 715817977 /nfs/dbraw/zinc/81/79/77/715817977.db2.gz NYTKDIZMEKXCRE-WMZOPIPTSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443779 715817982 /nfs/dbraw/zinc/81/79/82/715817982.db2.gz NYTKDIZMEKXCRE-WMZOPIPTSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443534 715818273 /nfs/dbraw/zinc/81/82/73/715818273.db2.gz MRPOBSZPYJWABV-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443534 715818275 /nfs/dbraw/zinc/81/82/75/715818275.db2.gz MRPOBSZPYJWABV-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027444079 715819662 /nfs/dbraw/zinc/81/96/62/715819662.db2.gz QFBOXPYNYWLPLC-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001027444079 715819665 /nfs/dbraw/zinc/81/96/65/715819665.db2.gz QFBOXPYNYWLPLC-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001027442009 715821988 /nfs/dbraw/zinc/82/19/88/715821988.db2.gz ONOJKUDMOLLEHJ-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001027442009 715821992 /nfs/dbraw/zinc/82/19/92/715821992.db2.gz ONOJKUDMOLLEHJ-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027451882 715846886 /nfs/dbraw/zinc/84/68/86/715846886.db2.gz IKEZWKWTAAMOQM-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027451882 715846890 /nfs/dbraw/zinc/84/68/90/715846890.db2.gz IKEZWKWTAAMOQM-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027452426 715851796 /nfs/dbraw/zinc/85/17/96/715851796.db2.gz OKAKSTZNXBCEIK-CVEARBPZSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027452426 715851800 /nfs/dbraw/zinc/85/18/00/715851800.db2.gz OKAKSTZNXBCEIK-CVEARBPZSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027452584 715852601 /nfs/dbraw/zinc/85/26/01/715852601.db2.gz RGAWIDWDSTXPEP-MOPGFXCFSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001027452584 715852603 /nfs/dbraw/zinc/85/26/03/715852603.db2.gz RGAWIDWDSTXPEP-MOPGFXCFSA-N 1 3 331.504 2.696 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027459736 715874541 /nfs/dbraw/zinc/87/45/41/715874541.db2.gz AFISQWPBHIPGNO-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027459736 715874548 /nfs/dbraw/zinc/87/45/48/715874548.db2.gz AFISQWPBHIPGNO-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC001027459796 715874659 /nfs/dbraw/zinc/87/46/59/715874659.db2.gz BSEWBSWUSQTYRB-NVXWUHKLSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC001027459796 715874665 /nfs/dbraw/zinc/87/46/65/715874665.db2.gz BSEWBSWUSQTYRB-NVXWUHKLSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426884 715876235 /nfs/dbraw/zinc/87/62/35/715876235.db2.gz RHTGWUDCVSBFNL-MSOLQXFVSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426884 715876242 /nfs/dbraw/zinc/87/62/42/715876242.db2.gz RHTGWUDCVSBFNL-MSOLQXFVSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027460166 715877117 /nfs/dbraw/zinc/87/71/17/715877117.db2.gz GKFIQKGBCIQCSN-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027460166 715877123 /nfs/dbraw/zinc/87/71/23/715877123.db2.gz GKFIQKGBCIQCSN-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027464742 715902013 /nfs/dbraw/zinc/90/20/13/715902013.db2.gz OTUVHAGFBOYAMX-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027464742 715902018 /nfs/dbraw/zinc/90/20/18/715902018.db2.gz OTUVHAGFBOYAMX-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001027217367 715921477 /nfs/dbraw/zinc/92/14/77/715921477.db2.gz JKCZOUXIGSOTHT-SFHVURJKSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001027217691 715921569 /nfs/dbraw/zinc/92/15/69/715921569.db2.gz ODWHZSKBQLAHBU-LJQANCHMSA-N 1 3 343.515 2.646 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001027233024 715944667 /nfs/dbraw/zinc/94/46/67/715944667.db2.gz WFZWBWOVRFRCIW-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001027235564 715949281 /nfs/dbraw/zinc/94/92/81/715949281.db2.gz SISHQKGLKUIMSU-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027235989 715950002 /nfs/dbraw/zinc/95/00/02/715950002.db2.gz ZOQAVLXHSYDUKN-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001027235900 715950318 /nfs/dbraw/zinc/95/03/18/715950318.db2.gz YANVDWQHEAAJPI-FUHWJXTLSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468050 724438776 /nfs/dbraw/zinc/43/87/76/724438776.db2.gz ONJCHSVTKQHXKE-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000985468050 724438778 /nfs/dbraw/zinc/43/87/78/724438778.db2.gz ONJCHSVTKQHXKE-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC000985468105 724440348 /nfs/dbraw/zinc/44/03/48/724440348.db2.gz PKHJOFHCETYRCU-QGZVFWFLSA-N 1 3 335.517 2.511 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC000985468105 724440349 /nfs/dbraw/zinc/44/03/49/724440349.db2.gz PKHJOFHCETYRCU-QGZVFWFLSA-N 1 3 335.517 2.511 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC000985470157 724442999 /nfs/dbraw/zinc/44/29/99/724442999.db2.gz MHDXEXFRHAKWRR-FGTMMUONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC000985470157 724443001 /nfs/dbraw/zinc/44/30/01/724443001.db2.gz MHDXEXFRHAKWRR-FGTMMUONSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000972487160 716034953 /nfs/dbraw/zinc/03/49/53/716034953.db2.gz YMPMEPPIOBYOAF-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972487160 716034957 /nfs/dbraw/zinc/03/49/57/716034957.db2.gz YMPMEPPIOBYOAF-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000972487150 716035126 /nfs/dbraw/zinc/03/51/26/716035126.db2.gz YMPMEPPIOBYOAF-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972487150 716035130 /nfs/dbraw/zinc/03/51/30/716035130.db2.gz YMPMEPPIOBYOAF-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022975583 716041182 /nfs/dbraw/zinc/04/11/82/716041182.db2.gz OYZFFLQWWFATHO-BGTYHANMSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022975292 716041840 /nfs/dbraw/zinc/04/18/40/716041840.db2.gz ILFOSQWXRATHDP-OAGGEKHMSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022975292 716041846 /nfs/dbraw/zinc/04/18/46/716041846.db2.gz ILFOSQWXRATHDP-OAGGEKHMSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001023024999 716093713 /nfs/dbraw/zinc/09/37/13/716093713.db2.gz QEZFIZQMKRZQDI-SOLBZPMBSA-N 1 3 338.455 2.575 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001023024814 716093770 /nfs/dbraw/zinc/09/37/70/716093770.db2.gz HTANXSMZGPERSM-IXDOHACOSA-N 1 3 326.444 2.649 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001023025024 716094221 /nfs/dbraw/zinc/09/42/21/716094221.db2.gz RFHGFCVDBSMUIR-QSPRXWTASA-N 1 3 332.492 2.714 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001023122829 716161821 /nfs/dbraw/zinc/16/18/21/716161821.db2.gz GNZDWEYSDRKNFH-PBWTXFEYSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001023122955 716161926 /nfs/dbraw/zinc/16/19/26/716161926.db2.gz LEGNVGIKUBNMMS-QGZVKYPTSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001023124327 716163494 /nfs/dbraw/zinc/16/34/94/716163494.db2.gz FSXVAAPPMCXEDI-RWQQGDIJSA-N 1 3 329.488 2.605 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001023124628 716163504 /nfs/dbraw/zinc/16/35/04/716163504.db2.gz JQYNLFOZZMAYFO-CPLUKWAASA-N 1 3 343.515 2.859 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)c1 ZINC001023126481 716164012 /nfs/dbraw/zinc/16/40/12/716164012.db2.gz YBGMCYFRPKAQPC-BGYRXZFFSA-N 1 3 337.467 2.799 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001023128551 716164753 /nfs/dbraw/zinc/16/47/53/716164753.db2.gz JMJXCVYYFNDZOO-FZDIXFNVSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001023131131 716166192 /nfs/dbraw/zinc/16/61/92/716166192.db2.gz WPQLRRUQJPRTHJ-JONQDZQNSA-N 1 3 343.462 2.533 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429010 716213415 /nfs/dbraw/zinc/21/34/15/716213415.db2.gz QTWOBQLDUSLZRR-SFHVURJKSA-N 1 3 335.536 2.900 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269994 716368297 /nfs/dbraw/zinc/36/82/97/716368297.db2.gz RLXUWKCRLLZSPT-VQTJNVASSA-N 1 3 347.547 2.879 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599835 716405737 /nfs/dbraw/zinc/40/57/37/716405737.db2.gz MZJHEFMNDDTURF-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599835 716405742 /nfs/dbraw/zinc/40/57/42/716405742.db2.gz MZJHEFMNDDTURF-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599838 716405873 /nfs/dbraw/zinc/40/58/73/716405873.db2.gz MZJHEFMNDDTURF-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599838 716405874 /nfs/dbraw/zinc/40/58/74/716405874.db2.gz MZJHEFMNDDTURF-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@H+](CC3CCC3)CC2(C)C)c1 ZINC000977641256 716432926 /nfs/dbraw/zinc/43/29/26/716432926.db2.gz NBSDQNXURDMASV-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@@H+](CC3CCC3)CC2(C)C)c1 ZINC000977641256 716432930 /nfs/dbraw/zinc/43/29/30/716432930.db2.gz NBSDQNXURDMASV-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655271 716446789 /nfs/dbraw/zinc/44/67/89/716446789.db2.gz NPHLQSJQPVFXKX-SJORKVTESA-N 1 3 349.544 2.949 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655271 716446792 /nfs/dbraw/zinc/44/67/92/716446792.db2.gz NPHLQSJQPVFXKX-SJORKVTESA-N 1 3 349.544 2.949 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027692822 716542722 /nfs/dbraw/zinc/54/27/22/716542722.db2.gz APZZBESKVKEASG-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027692822 716542724 /nfs/dbraw/zinc/54/27/24/716542724.db2.gz APZZBESKVKEASG-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([N@H+](C)CC3CC3)C2)c1 ZINC001027693349 716545353 /nfs/dbraw/zinc/54/53/53/716545353.db2.gz WQQJQDYQRLEZEW-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC3)C2)c1 ZINC001027693349 716545357 /nfs/dbraw/zinc/54/53/57/716545357.db2.gz WQQJQDYQRLEZEW-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000978948517 716595894 /nfs/dbraw/zinc/59/58/94/716595894.db2.gz JBYOUPKYSDRTBN-HAGHYFMRSA-N 1 3 349.563 2.981 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000978948517 716595899 /nfs/dbraw/zinc/59/58/99/716595899.db2.gz JBYOUPKYSDRTBN-HAGHYFMRSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1)[NH+](C)C ZINC001027564151 716608457 /nfs/dbraw/zinc/60/84/57/716608457.db2.gz RNXSZZYLNVHJLT-DLBZAZTESA-N 1 3 337.533 2.757 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027576195 716710443 /nfs/dbraw/zinc/71/04/43/716710443.db2.gz LWGXBRZMDZEKKC-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027576195 716710445 /nfs/dbraw/zinc/71/04/45/716710445.db2.gz LWGXBRZMDZEKKC-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576423 716713016 /nfs/dbraw/zinc/71/30/16/716713016.db2.gz OTRGPAMCNANHLD-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576423 716713021 /nfs/dbraw/zinc/71/30/21/716713021.db2.gz OTRGPAMCNANHLD-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000972609854 716717193 /nfs/dbraw/zinc/71/71/93/716717193.db2.gz FDHAMZNANJAHTE-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000972609854 716717200 /nfs/dbraw/zinc/71/72/00/716717200.db2.gz FDHAMZNANJAHTE-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979099171 716720337 /nfs/dbraw/zinc/72/03/37/716720337.db2.gz GPHMKHRGZSMFBQ-OWZKRDHZSA-N 1 3 343.515 2.702 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979099171 716720344 /nfs/dbraw/zinc/72/03/44/716720344.db2.gz GPHMKHRGZSMFBQ-OWZKRDHZSA-N 1 3 343.515 2.702 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCCCC3)C2)CC1 ZINC000972611784 716721978 /nfs/dbraw/zinc/72/19/78/716721978.db2.gz FFGBONDNTUPZHC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)CC1 ZINC000972611784 716721981 /nfs/dbraw/zinc/72/19/81/716721981.db2.gz FFGBONDNTUPZHC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023632576 716744973 /nfs/dbraw/zinc/74/49/73/716744973.db2.gz NDGDPBRPXKQPJD-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023632576 716744975 /nfs/dbraw/zinc/74/49/75/716744975.db2.gz NDGDPBRPXKQPJD-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595427 716882595 /nfs/dbraw/zinc/88/25/95/716882595.db2.gz YNLWXPUYOXJDLC-VQIMIIECSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595427 716882600 /nfs/dbraw/zinc/88/26/00/716882600.db2.gz YNLWXPUYOXJDLC-VQIMIIECSA-N 1 3 340.471 2.945 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000978234224 716909587 /nfs/dbraw/zinc/90/95/87/716909587.db2.gz RLYVMAAEIXBCTC-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000978234224 716909590 /nfs/dbraw/zinc/90/95/90/716909590.db2.gz RLYVMAAEIXBCTC-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027601469 716914551 /nfs/dbraw/zinc/91/45/51/716914551.db2.gz AJNYWVRMVCGOBH-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027601469 716914554 /nfs/dbraw/zinc/91/45/54/716914554.db2.gz AJNYWVRMVCGOBH-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027601471 716914800 /nfs/dbraw/zinc/91/48/00/716914800.db2.gz AJNYWVRMVCGOBH-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027601471 716914802 /nfs/dbraw/zinc/91/48/02/716914802.db2.gz AJNYWVRMVCGOBH-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763714 716978030 /nfs/dbraw/zinc/97/80/30/716978030.db2.gz YZYNBHYENJLMFB-FUHWJXTLSA-N 1 3 349.494 2.938 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001023892245 717107843 /nfs/dbraw/zinc/10/78/43/717107843.db2.gz YUVYSKURVLLVRE-LPHOPBHVSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CCC3CCCC3)CC2)CCC1 ZINC000985472094 724444701 /nfs/dbraw/zinc/44/47/01/724444701.db2.gz ZZAQXJVRYFOQJE-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CCC3CCCC3)CC2)CCC1 ZINC000985472094 724444702 /nfs/dbraw/zinc/44/47/02/724444702.db2.gz ZZAQXJVRYFOQJE-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC000972731366 717159481 /nfs/dbraw/zinc/15/94/81/717159481.db2.gz FGYDJLIOEARFMK-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC000972731366 717159483 /nfs/dbraw/zinc/15/94/83/717159483.db2.gz FGYDJLIOEARFMK-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972732651 717160002 /nfs/dbraw/zinc/16/00/02/717160002.db2.gz LHDPLCMWVARMCO-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972732651 717160005 /nfs/dbraw/zinc/16/00/05/717160005.db2.gz LHDPLCMWVARMCO-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001024017026 717214811 /nfs/dbraw/zinc/21/48/11/717214811.db2.gz RRLXXMOKRHWGCY-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001024019211 717216678 /nfs/dbraw/zinc/21/66/78/717216678.db2.gz WIRQAPGJDKZFFW-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405850 717218787 /nfs/dbraw/zinc/21/87/87/717218787.db2.gz LKVBYKPVHMLESI-OALUTQOASA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405850 717218789 /nfs/dbraw/zinc/21/87/89/717218789.db2.gz LKVBYKPVHMLESI-OALUTQOASA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001024018068 717219242 /nfs/dbraw/zinc/21/92/42/717219242.db2.gz KALSIDZWBCEWPD-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405852 717219343 /nfs/dbraw/zinc/21/93/43/717219343.db2.gz LKVBYKPVHMLESI-RTBURBONSA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405852 717219347 /nfs/dbraw/zinc/21/93/47/717219347.db2.gz LKVBYKPVHMLESI-RTBURBONSA-N 1 3 329.488 2.766 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001024018509 717220136 /nfs/dbraw/zinc/22/01/36/717220136.db2.gz OXPQDANSLILCMU-PKOBYXMFSA-N 1 3 333.520 2.655 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001024018336 717220218 /nfs/dbraw/zinc/22/02/18/717220218.db2.gz MUMWXFYOCQUZMI-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001024018670 717220324 /nfs/dbraw/zinc/22/03/24/717220324.db2.gz QYEQTDBSPNMHDL-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001024018860 717221234 /nfs/dbraw/zinc/22/12/34/717221234.db2.gz SMLBVMNQWWEVCO-MRXNPFEDSA-N 1 3 349.544 2.869 20 0 EFADHO C[N@H+]([C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCc2ccccc21 ZINC000980407489 717222187 /nfs/dbraw/zinc/22/21/87/717222187.db2.gz YMBTYNZTDNIFGB-AZUAARDMSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCc2ccccc21 ZINC000980407489 717222193 /nfs/dbraw/zinc/22/21/93/717222193.db2.gz YMBTYNZTDNIFGB-AZUAARDMSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@H+]([C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCc2ccccc21 ZINC000980407492 717222514 /nfs/dbraw/zinc/22/25/14/717222514.db2.gz YMBTYNZTDNIFGB-UYAOXDASSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCCc2ccccc21 ZINC000980407492 717222518 /nfs/dbraw/zinc/22/25/18/717222518.db2.gz YMBTYNZTDNIFGB-UYAOXDASSA-N 1 3 341.499 2.693 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980409060 717224731 /nfs/dbraw/zinc/22/47/31/717224731.db2.gz PVAFVOSEIIQYLJ-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000980409060 717224734 /nfs/dbraw/zinc/22/47/34/717224734.db2.gz PVAFVOSEIIQYLJ-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001024019458 717228637 /nfs/dbraw/zinc/22/86/37/717228637.db2.gz ZLVCNPVURFHFOF-XLIONFOSSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001024026966 717236990 /nfs/dbraw/zinc/23/69/90/717236990.db2.gz MBNSJAMJAFDLMO-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024027385 717237070 /nfs/dbraw/zinc/23/70/70/717237070.db2.gz RMRRGMPDEJJBIV-OALUTQOASA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001024026617 717237204 /nfs/dbraw/zinc/23/72/04/717237204.db2.gz FLFQLGQLQWQFEH-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001024037936 717248602 /nfs/dbraw/zinc/24/86/02/717248602.db2.gz CKDHDCARMHOHQQ-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001024038996 717249240 /nfs/dbraw/zinc/24/92/40/717249240.db2.gz MANBXLHOHPPHEU-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001024039192 717249644 /nfs/dbraw/zinc/24/96/44/717249644.db2.gz QQKFURJVYAIIOI-RBUKOAKNSA-N 1 3 331.504 2.663 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001024039619 717250287 /nfs/dbraw/zinc/25/02/87/717250287.db2.gz ZUSXZXMGIBCASR-VQTJNVASSA-N 1 3 345.531 2.917 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486937 717330673 /nfs/dbraw/zinc/33/06/73/717330673.db2.gz YKYCIPNOONBHCF-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486937 717330674 /nfs/dbraw/zinc/33/06/74/717330674.db2.gz YKYCIPNOONBHCF-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000980486932 717330742 /nfs/dbraw/zinc/33/07/42/717330742.db2.gz YCCUFLRCGPDMCS-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000980486932 717330744 /nfs/dbraw/zinc/33/07/44/717330744.db2.gz YCCUFLRCGPDMCS-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000980483494 717342090 /nfs/dbraw/zinc/34/20/90/717342090.db2.gz QANYRLIXQNGDKK-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000980483494 717342094 /nfs/dbraw/zinc/34/20/94/717342094.db2.gz QANYRLIXQNGDKK-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712639 717372218 /nfs/dbraw/zinc/37/22/18/717372218.db2.gz NBGBLECLGCVDTB-OKZBNKHCSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712639 717372225 /nfs/dbraw/zinc/37/22/25/717372225.db2.gz NBGBLECLGCVDTB-OKZBNKHCSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979712633 717372439 /nfs/dbraw/zinc/37/24/39/717372439.db2.gz NBGBLECLGCVDTB-KSZLIROESA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979712633 717372443 /nfs/dbraw/zinc/37/24/43/717372443.db2.gz NBGBLECLGCVDTB-KSZLIROESA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001024140206 717388745 /nfs/dbraw/zinc/38/87/45/717388745.db2.gz ZJTGPZDRHCDWMK-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001024139053 717396043 /nfs/dbraw/zinc/39/60/43/717396043.db2.gz BHOGPPMHFMDSFP-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001024156286 717450593 /nfs/dbraw/zinc/45/05/93/717450593.db2.gz KVTLURJWOJIZGL-ZWKOTPCHSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001024156911 717451302 /nfs/dbraw/zinc/45/13/02/717451302.db2.gz VDWCZIXSOFHAMS-UYAOXDASSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024156589 717451759 /nfs/dbraw/zinc/45/17/59/717451759.db2.gz QEIICGKUMQTPOK-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001024156907 717451826 /nfs/dbraw/zinc/45/18/26/717451826.db2.gz VDWCZIXSOFHAMS-AZUAARDMSA-N 1 3 343.515 2.665 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3)C2)C1 ZINC001024157194 717454171 /nfs/dbraw/zinc/45/41/71/717454171.db2.gz XZTFSGIWXQOXAI-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001024161622 717454509 /nfs/dbraw/zinc/45/45/09/717454509.db2.gz MANBXLHOHPPHEU-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000980604440 717475278 /nfs/dbraw/zinc/47/52/78/717475278.db2.gz MIHMDDJKOXYYJY-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001024178530 717477418 /nfs/dbraw/zinc/47/74/18/717477418.db2.gz AHVJALKMSLNNQD-CVEARBPZSA-N 1 3 326.444 2.542 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001024179281 717477998 /nfs/dbraw/zinc/47/79/98/717477998.db2.gz LQSLNRVJBLIQSC-OAHLLOKOSA-N 1 3 346.862 2.634 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024179042 717478110 /nfs/dbraw/zinc/47/81/10/717478110.db2.gz IUAPKNQFPRMYHC-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001024179279 717478220 /nfs/dbraw/zinc/47/82/20/717478220.db2.gz LQSLNRVJBLIQSC-HNNXBMFYSA-N 1 3 346.862 2.634 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001024179856 717478771 /nfs/dbraw/zinc/47/87/71/717478771.db2.gz QIVRYFFDMVFZDF-GOSISDBHSA-N 1 3 340.471 2.543 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180126 717479780 /nfs/dbraw/zinc/47/97/80/717479780.db2.gz SUDQCQGGZMIXRM-SFHVURJKSA-N 1 3 340.471 2.543 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000980606934 717487541 /nfs/dbraw/zinc/48/75/41/717487541.db2.gz JEZMOURHOIEYRK-GOEBONIOSA-N 1 3 349.544 2.867 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001024213145 717512278 /nfs/dbraw/zinc/51/22/78/717512278.db2.gz XSBLVLVEHJENOY-XBMUEBEBSA-N 1 3 335.536 2.593 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024278231 717562705 /nfs/dbraw/zinc/56/27/05/717562705.db2.gz HOTFNDPPUYNNDZ-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024278230 717562718 /nfs/dbraw/zinc/56/27/18/717562718.db2.gz HOTFNDPPUYNNDZ-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980701085 717606164 /nfs/dbraw/zinc/60/61/64/717606164.db2.gz YJKCUMNSAMTSEX-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703373 717608061 /nfs/dbraw/zinc/60/80/61/717608061.db2.gz FAOGVZWJQXEFRE-YJBOKZPZSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703372 717608225 /nfs/dbraw/zinc/60/82/25/717608225.db2.gz FAOGVZWJQXEFRE-QAPCUYQASA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980703820 717608761 /nfs/dbraw/zinc/60/87/61/717608761.db2.gz JIKOZYHNELYSLX-CVEARBPZSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980703822 717609295 /nfs/dbraw/zinc/60/92/95/717609295.db2.gz JIKOZYHNELYSLX-HZPDHXFCSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000980707814 717614956 /nfs/dbraw/zinc/61/49/56/717614956.db2.gz GXQACAZBEUYRLW-IRXDYDNUSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC000980707598 717615005 /nfs/dbraw/zinc/61/50/05/717615005.db2.gz FBPUMBDZJSZEQT-AEFFLSMTSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC000980707606 717615172 /nfs/dbraw/zinc/61/51/72/717615172.db2.gz FBPUMBDZJSZEQT-WMZOPIPTSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709695 717641909 /nfs/dbraw/zinc/64/19/09/717641909.db2.gz ZOSPJBBCYNMZCD-DZGCQCFKSA-N 1 3 346.862 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985480152 724461630 /nfs/dbraw/zinc/46/16/30/724461630.db2.gz AGWFRWUEXNCWFZ-IBGZPJMESA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985480152 724461632 /nfs/dbraw/zinc/46/16/32/724461632.db2.gz AGWFRWUEXNCWFZ-IBGZPJMESA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(N(C)Cc2ccccc2F)CC1)[NH+](C)C ZINC000985480947 724462996 /nfs/dbraw/zinc/46/29/96/724462996.db2.gz HYFAFIZCRYVZAH-IBGZPJMESA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1)N(C)C ZINC000985481074 724463084 /nfs/dbraw/zinc/46/30/84/724463084.db2.gz JWDIRGWPLZMOBK-FQEVSTJZSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1)N(C)C ZINC000985481074 724463086 /nfs/dbraw/zinc/46/30/86/724463086.db2.gz JWDIRGWPLZMOBK-FQEVSTJZSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001027878681 717741819 /nfs/dbraw/zinc/74/18/19/717741819.db2.gz GRGAVVWNXCTTKB-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001027878681 717741823 /nfs/dbraw/zinc/74/18/23/717741823.db2.gz GRGAVVWNXCTTKB-MOPGFXCFSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN1CCCC1 ZINC000980799093 717755451 /nfs/dbraw/zinc/75/54/51/717755451.db2.gz FNUVUIQKGGEGPI-LPHOPBHVSA-N 1 3 347.478 2.579 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001029901501 724466720 /nfs/dbraw/zinc/46/67/20/724466720.db2.gz HDIBZAXDKMXSOP-NVXWUHKLSA-N 1 3 349.906 2.572 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001029901501 724466722 /nfs/dbraw/zinc/46/67/22/724466722.db2.gz HDIBZAXDKMXSOP-NVXWUHKLSA-N 1 3 349.906 2.572 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801717 717766135 /nfs/dbraw/zinc/76/61/35/717766135.db2.gz VZVQBMKRHYHPIF-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801690 717766177 /nfs/dbraw/zinc/76/61/77/717766177.db2.gz VLOBDUFZLOYVCO-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000980799417 717773495 /nfs/dbraw/zinc/77/34/95/717773495.db2.gz HLISFLVKXVGHKD-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980799590 717773723 /nfs/dbraw/zinc/77/37/23/717773723.db2.gz IZEBZTUFRHEKQE-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000980799789 717774260 /nfs/dbraw/zinc/77/42/60/717774260.db2.gz LOHYTCSKVOAUEX-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000980799790 717774673 /nfs/dbraw/zinc/77/46/73/717774673.db2.gz LOHYTCSKVOAUEX-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001027985143 717786941 /nfs/dbraw/zinc/78/69/41/717786941.db2.gz CYBNTUVTNUGBLC-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001027985143 717786944 /nfs/dbraw/zinc/78/69/44/717786944.db2.gz CYBNTUVTNUGBLC-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(NC[C@@H]1CCCCN1CCCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479904 717806052 /nfs/dbraw/zinc/80/60/52/717806052.db2.gz TUNHJTBSXQHMOJ-ZWKOTPCHSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@@H]1CCCCN1CCCF)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479904 717806059 /nfs/dbraw/zinc/80/60/59/717806059.db2.gz TUNHJTBSXQHMOJ-ZWKOTPCHSA-N 1 3 339.499 2.724 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001029756646 724471823 /nfs/dbraw/zinc/47/18/23/724471823.db2.gz ZIAOPIDKNDSUGH-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001029756646 724471825 /nfs/dbraw/zinc/47/18/25/724471825.db2.gz ZIAOPIDKNDSUGH-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992469 717828031 /nfs/dbraw/zinc/82/80/31/717828031.db2.gz AQROVQPODGTJLR-LJQANCHMSA-N 1 3 341.499 2.704 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1)N1CCCC1 ZINC000980169049 717836495 /nfs/dbraw/zinc/83/64/95/717836495.db2.gz HOOXDJJDSNSDHW-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2C1)N1CCCC1 ZINC000980169049 717836501 /nfs/dbraw/zinc/83/65/01/717836501.db2.gz HOOXDJJDSNSDHW-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1)N1CCCC1 ZINC000980169037 717837002 /nfs/dbraw/zinc/83/70/02/717837002.db2.gz HOOXDJJDSNSDHW-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1)N1CCCC1 ZINC000980169037 717837006 /nfs/dbraw/zinc/83/70/06/717837006.db2.gz HOOXDJJDSNSDHW-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C1)N1CCCC1 ZINC000980169045 717837227 /nfs/dbraw/zinc/83/72/27/717837227.db2.gz HOOXDJJDSNSDHW-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C1)N1CCCC1 ZINC000980169045 717837229 /nfs/dbraw/zinc/83/72/29/717837229.db2.gz HOOXDJJDSNSDHW-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001029754534 724473655 /nfs/dbraw/zinc/47/36/55/724473655.db2.gz AOJKKYWULNAJMR-FXAWDEMLSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001029754534 724473656 /nfs/dbraw/zinc/47/36/56/724473656.db2.gz AOJKKYWULNAJMR-FXAWDEMLSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903946 724473761 /nfs/dbraw/zinc/47/37/61/724473761.db2.gz IQXDMUMJIQBFSP-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903946 724473764 /nfs/dbraw/zinc/47/37/64/724473764.db2.gz IQXDMUMJIQBFSP-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754647 724473757 /nfs/dbraw/zinc/47/37/57/724473757.db2.gz CDRGKSNXSIHPIU-APWZRJJASA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754647 724473760 /nfs/dbraw/zinc/47/37/60/724473760.db2.gz CDRGKSNXSIHPIU-APWZRJJASA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001029754878 724473830 /nfs/dbraw/zinc/47/38/30/724473830.db2.gz FGVFOJABWMWWCW-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001029754878 724473835 /nfs/dbraw/zinc/47/38/35/724473835.db2.gz FGVFOJABWMWWCW-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001029903981 724473946 /nfs/dbraw/zinc/47/39/46/724473946.db2.gz JPEQPQQODQBSBS-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001029903981 724473951 /nfs/dbraw/zinc/47/39/51/724473951.db2.gz JPEQPQQODQBSBS-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024522448 717869668 /nfs/dbraw/zinc/86/96/68/717869668.db2.gz GKDXWXBPLRBXMB-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024522448 717869670 /nfs/dbraw/zinc/86/96/70/717869670.db2.gz GKDXWXBPLRBXMB-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001029755399 724475189 /nfs/dbraw/zinc/47/51/89/724475189.db2.gz MLUFSMONECGYIF-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001029755399 724475191 /nfs/dbraw/zinc/47/51/91/724475191.db2.gz MLUFSMONECGYIF-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904457 724475265 /nfs/dbraw/zinc/47/52/65/724475265.db2.gz WRTOPJFHCRFJQA-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904457 724475268 /nfs/dbraw/zinc/47/52/68/724475268.db2.gz WRTOPJFHCRFJQA-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755517 724475261 /nfs/dbraw/zinc/47/52/61/724475261.db2.gz MFRUNOMSICHGDX-PKOBYXMFSA-N 1 3 333.520 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755517 724475263 /nfs/dbraw/zinc/47/52/63/724475263.db2.gz MFRUNOMSICHGDX-PKOBYXMFSA-N 1 3 333.520 2.607 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCC2(CC2)CC1 ZINC001029903913 724475319 /nfs/dbraw/zinc/47/53/19/724475319.db2.gz HYGBMSOWADNPQU-IBGZPJMESA-N 1 3 347.547 2.833 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCC2(CC2)CC1 ZINC001029903913 724475323 /nfs/dbraw/zinc/47/53/23/724475323.db2.gz HYGBMSOWADNPQU-IBGZPJMESA-N 1 3 347.547 2.833 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755514 724475460 /nfs/dbraw/zinc/47/54/60/724475460.db2.gz MFRUNOMSICHGDX-MJGOQNOKSA-N 1 3 333.520 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755514 724475462 /nfs/dbraw/zinc/47/54/62/724475462.db2.gz MFRUNOMSICHGDX-MJGOQNOKSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001029755751 724475718 /nfs/dbraw/zinc/47/57/18/724475718.db2.gz OETDDXJKXIBHFK-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001029755751 724475719 /nfs/dbraw/zinc/47/57/19/724475719.db2.gz OETDDXJKXIBHFK-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001029904651 724476181 /nfs/dbraw/zinc/47/61/81/724476181.db2.gz ZYSFJKHCWPJWIA-FQEVSTJZSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001029904651 724476183 /nfs/dbraw/zinc/47/61/83/724476183.db2.gz ZYSFJKHCWPJWIA-FQEVSTJZSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904363 724477287 /nfs/dbraw/zinc/47/72/87/724477287.db2.gz UHVNBUKAXMYUKS-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904363 724477290 /nfs/dbraw/zinc/47/72/90/724477290.db2.gz UHVNBUKAXMYUKS-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027917932 718091678 /nfs/dbraw/zinc/09/16/78/718091678.db2.gz HSKZXRSUFYFJDS-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027917932 718091680 /nfs/dbraw/zinc/09/16/80/718091680.db2.gz HSKZXRSUFYFJDS-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029766772 724484371 /nfs/dbraw/zinc/48/43/71/724484371.db2.gz GFEQMZIXKADXSP-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029766772 724484372 /nfs/dbraw/zinc/48/43/72/724484372.db2.gz GFEQMZIXKADXSP-VQIMIIECSA-N 1 3 349.494 2.755 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000981143780 718152223 /nfs/dbraw/zinc/15/22/23/718152223.db2.gz UIKCFZHKEIIYQU-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000981143780 718152225 /nfs/dbraw/zinc/15/22/25/718152225.db2.gz UIKCFZHKEIIYQU-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029767156 724485500 /nfs/dbraw/zinc/48/55/00/724485500.db2.gz LJWPYBMOGNGCPV-RTBURBONSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029767156 724485502 /nfs/dbraw/zinc/48/55/02/724485502.db2.gz LJWPYBMOGNGCPV-RTBURBONSA-N 1 3 331.504 2.616 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCCC3)CC2)CC[N@@H+]1C ZINC000949863173 718163017 /nfs/dbraw/zinc/16/30/17/718163017.db2.gz ZKOZOWAROMPMFZ-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCN(CC3CCCCCC3)CC2)CC[N@H+]1C ZINC000949863173 718163020 /nfs/dbraw/zinc/16/30/20/718163020.db2.gz ZKOZOWAROMPMFZ-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981169498 718163715 /nfs/dbraw/zinc/16/37/15/718163715.db2.gz ZQZXNIPRZQBOKQ-PXNSSMCTSA-N 1 3 341.499 2.624 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800989 718168442 /nfs/dbraw/zinc/16/84/42/718168442.db2.gz KIZJMHMZJFPPDH-RBUKOAKNSA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800989 718168443 /nfs/dbraw/zinc/16/84/43/718168443.db2.gz KIZJMHMZJFPPDH-RBUKOAKNSA-N 1 3 347.478 2.579 20 0 EFADHO CCc1cccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001024800928 718168518 /nfs/dbraw/zinc/16/85/18/718168518.db2.gz JOPOHVURSWDPNI-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001024800928 718168521 /nfs/dbraw/zinc/16/85/21/718168521.db2.gz JOPOHVURSWDPNI-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001024803148 718169867 /nfs/dbraw/zinc/16/98/67/718169867.db2.gz GCBFVPXRZRKEGH-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001024803148 718169870 /nfs/dbraw/zinc/16/98/70/718169870.db2.gz GCBFVPXRZRKEGH-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001024803887 718170050 /nfs/dbraw/zinc/17/00/50/718170050.db2.gz MADQXSXMJGGJNP-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001024803887 718170053 /nfs/dbraw/zinc/17/00/53/718170053.db2.gz MADQXSXMJGGJNP-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@@H+]1CCCF ZINC000947308847 718225963 /nfs/dbraw/zinc/22/59/63/718225963.db2.gz AOEMULSSESZGHB-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@H+]1CCCF ZINC000947308847 718225964 /nfs/dbraw/zinc/22/59/64/718225964.db2.gz AOEMULSSESZGHB-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029908926 724490805 /nfs/dbraw/zinc/49/08/05/724490805.db2.gz FCWHEQONOUBQIV-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029908926 724490808 /nfs/dbraw/zinc/49/08/08/724490808.db2.gz FCWHEQONOUBQIV-GOSISDBHSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001024982275 718247390 /nfs/dbraw/zinc/24/73/90/718247390.db2.gz KSNFAYNYLQWBIJ-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001024982121 718247542 /nfs/dbraw/zinc/24/75/42/718247542.db2.gz FOKQEIQENRBEAN-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001024982724 718248229 /nfs/dbraw/zinc/24/82/29/718248229.db2.gz ZNZPCXSIFGEUDA-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)C1CCC1 ZINC001024983723 718248819 /nfs/dbraw/zinc/24/88/19/718248819.db2.gz YJFQMWZFQOOACE-QGZVFWFLSA-N 1 3 335.517 2.703 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)cs1 ZINC001024984572 718248996 /nfs/dbraw/zinc/24/89/96/718248996.db2.gz HFCYKLYVQFICQV-QZTJIDSGSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000985494771 724492220 /nfs/dbraw/zinc/49/22/20/724492220.db2.gz GLIPCVYTTNCCOX-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000985494771 724492223 /nfs/dbraw/zinc/49/22/23/724492223.db2.gz GLIPCVYTTNCCOX-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001024991472 718250732 /nfs/dbraw/zinc/25/07/32/718250732.db2.gz DJGVDKBRJWQYQR-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001024997917 718254873 /nfs/dbraw/zinc/25/48/73/718254873.db2.gz BQXVUOJOQAPEHT-RTBURBONSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001024999120 718257586 /nfs/dbraw/zinc/25/75/86/718257586.db2.gz RSRNSSPZUDWKLR-IAGOWNOFSA-N 1 3 337.533 2.867 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985495178 724493328 /nfs/dbraw/zinc/49/33/28/724493328.db2.gz IRTIAISBSQNKCC-GDBMZVCRSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985495178 724493330 /nfs/dbraw/zinc/49/33/30/724493330.db2.gz IRTIAISBSQNKCC-GDBMZVCRSA-N 1 3 345.478 2.685 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029910520 724497383 /nfs/dbraw/zinc/49/73/83/724497383.db2.gz NZAABVPMIJULMZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029910520 724497386 /nfs/dbraw/zinc/49/73/86/724497386.db2.gz NZAABVPMIJULMZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCO[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H]1OC ZINC000892607992 718336009 /nfs/dbraw/zinc/33/60/09/718336009.db2.gz XETMVZRULNEVRA-XUVXKRRUSA-N 1 3 332.488 2.741 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001025073307 718341662 /nfs/dbraw/zinc/34/16/62/718341662.db2.gz DJGVDKBRJWQYQR-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001025086018 718350709 /nfs/dbraw/zinc/35/07/09/718350709.db2.gz ZTRSXJJSTFUYNH-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001025085968 718350808 /nfs/dbraw/zinc/35/08/08/718350808.db2.gz YJHKQDYEMKAADW-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001025086928 718351712 /nfs/dbraw/zinc/35/17/12/718351712.db2.gz LACDHSKZLRLSPF-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001025087625 718352262 /nfs/dbraw/zinc/35/22/62/718352262.db2.gz ILTFCDCSTWUWIA-MJGOQNOKSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001025088285 718352725 /nfs/dbraw/zinc/35/27/25/718352725.db2.gz SJENXFIXCUVTSO-MJGOQNOKSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001025100284 718360026 /nfs/dbraw/zinc/36/00/26/718360026.db2.gz GOPGPDMWABMOBB-GOSISDBHSA-N 1 3 340.471 2.740 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333188 718368768 /nfs/dbraw/zinc/36/87/68/718368768.db2.gz NLLNMOPJXWWQQB-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333188 718368769 /nfs/dbraw/zinc/36/87/69/718368769.db2.gz NLLNMOPJXWWQQB-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333190 718369026 /nfs/dbraw/zinc/36/90/26/718369026.db2.gz NLLNMOPJXWWQQB-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333190 718369027 /nfs/dbraw/zinc/36/90/27/718369027.db2.gz NLLNMOPJXWWQQB-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000311036885 718376003 /nfs/dbraw/zinc/37/60/03/718376003.db2.gz OJIJZKSGQWFMIT-MISYRCLQSA-N 1 3 343.515 2.936 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCCC2)c1 ZINC001025160965 718393132 /nfs/dbraw/zinc/39/31/32/718393132.db2.gz WSNAXFXYMVEXKC-GOSISDBHSA-N 1 3 347.478 2.701 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCF ZINC001025247176 718467228 /nfs/dbraw/zinc/46/72/28/718467228.db2.gz JCYAAVKXWUCIBM-ROUUACIJSA-N 1 3 344.434 2.763 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCF ZINC001025247176 718467229 /nfs/dbraw/zinc/46/72/29/718467229.db2.gz JCYAAVKXWUCIBM-ROUUACIJSA-N 1 3 344.434 2.763 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193631 718491386 /nfs/dbraw/zinc/49/13/86/718491386.db2.gz FLUYKDLZYAZTQK-RTBURBONSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193631 718491387 /nfs/dbraw/zinc/49/13/87/718491387.db2.gz FLUYKDLZYAZTQK-RTBURBONSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194287 718491416 /nfs/dbraw/zinc/49/14/16/718491416.db2.gz PKOMUUWUJPIVGC-WSTZPKSXSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194287 718491418 /nfs/dbraw/zinc/49/14/18/718491418.db2.gz PKOMUUWUJPIVGC-WSTZPKSXSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)c1 ZINC000981194462 718491815 /nfs/dbraw/zinc/49/18/15/718491815.db2.gz RIPQZOMELMNWOX-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)c1 ZINC000981194462 718491816 /nfs/dbraw/zinc/49/18/16/718491816.db2.gz RIPQZOMELMNWOX-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925804609 718638355 /nfs/dbraw/zinc/63/83/55/718638355.db2.gz KMIFUFSYZJOIPL-MCIONIFRSA-N 1 3 330.398 2.721 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166623018 718639526 /nfs/dbraw/zinc/63/95/26/718639526.db2.gz QMFNZISNHHGIHX-OAGGEKHMSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166623018 718639525 /nfs/dbraw/zinc/63/95/25/718639525.db2.gz QMFNZISNHHGIHX-OAGGEKHMSA-N 1 3 325.497 2.752 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000981370027 718668947 /nfs/dbraw/zinc/66/89/47/718668947.db2.gz VEQKEECBNUBYOX-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000981370027 718668949 /nfs/dbraw/zinc/66/89/49/718668949.db2.gz VEQKEECBNUBYOX-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000981385476 718672720 /nfs/dbraw/zinc/67/27/20/718672720.db2.gz UGQODEKYJLWOAT-FQEVSTJZSA-N 1 3 345.531 2.924 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000925806272 718676191 /nfs/dbraw/zinc/67/61/91/718676191.db2.gz ZJBAUXGHDYANQN-LLVKDONJSA-N 1 3 341.381 2.723 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001028094387 718727125 /nfs/dbraw/zinc/72/71/25/718727125.db2.gz YPJSWLBRPWRVIU-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001028094387 718727127 /nfs/dbraw/zinc/72/71/27/718727127.db2.gz YPJSWLBRPWRVIU-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001028094385 718727171 /nfs/dbraw/zinc/72/71/71/718727171.db2.gz YPJSWLBRPWRVIU-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001028094385 718727175 /nfs/dbraw/zinc/72/71/75/718727175.db2.gz YPJSWLBRPWRVIU-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000981484907 718753347 /nfs/dbraw/zinc/75/33/47/718753347.db2.gz CXCOUBLQUCLFAZ-JKSUJKDBSA-N 1 3 346.500 2.848 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000981485489 718754014 /nfs/dbraw/zinc/75/40/14/718754014.db2.gz JPFLRFUYCWCVIQ-GJZGRUSLSA-N 1 3 332.473 2.539 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000981485490 718754243 /nfs/dbraw/zinc/75/42/43/718754243.db2.gz JPFLRFUYCWCVIQ-HUUCEWRRSA-N 1 3 332.473 2.539 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001028096674 718758878 /nfs/dbraw/zinc/75/88/78/718758878.db2.gz BHJPIOKLAWNCEL-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001028096674 718758882 /nfs/dbraw/zinc/75/88/82/718758882.db2.gz BHJPIOKLAWNCEL-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000981542939 718800878 /nfs/dbraw/zinc/80/08/78/718800878.db2.gz YGPBCSRWGLUYHM-ZWKOTPCHSA-N 1 3 329.488 2.789 20 0 EFADHO CN(C)Cc1ccnc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)c1 ZINC001164388006 718815555 /nfs/dbraw/zinc/81/55/55/718815555.db2.gz LVGBLXUGNOUTQW-OAHLLOKOSA-N 1 3 342.409 2.654 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687095 718943098 /nfs/dbraw/zinc/94/30/98/718943098.db2.gz HBVLHCKVNYFRHL-QGZVFWFLSA-N 1 3 349.494 2.687 20 0 EFADHO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164430482 718947279 /nfs/dbraw/zinc/94/72/79/718947279.db2.gz VYIIZCBEMVTEAA-VQTJNVASSA-N 1 3 334.467 2.753 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001029920730 724548032 /nfs/dbraw/zinc/54/80/32/724548032.db2.gz JFACJKBNYGNHFC-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCN2Cc2ccc(CF)cc2)CC1 ZINC001028117227 718970533 /nfs/dbraw/zinc/97/05/33/718970533.db2.gz NYFPEXMEPBFJSM-IBGZPJMESA-N 1 3 347.478 2.579 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001028117702 718974949 /nfs/dbraw/zinc/97/49/49/718974949.db2.gz SJSWYKLUWJJILH-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CCC2CCCC2)CC1)N1CCCC1 ZINC000981743015 718994527 /nfs/dbraw/zinc/99/45/27/718994527.db2.gz OJWKPUXQQDQMHD-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1)N1CCCC1 ZINC000981743015 718994529 /nfs/dbraw/zinc/99/45/29/718994529.db2.gz OJWKPUXQQDQMHD-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)N1CCCC1 ZINC000981743005 718994564 /nfs/dbraw/zinc/99/45/64/718994564.db2.gz NUSNBERNRZHTAZ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)N1CCCC1 ZINC000981743005 718994565 /nfs/dbraw/zinc/99/45/65/718994565.db2.gz NUSNBERNRZHTAZ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCCC2CCC2)C3)CCC1 ZINC000981812684 719072421 /nfs/dbraw/zinc/07/24/21/719072421.db2.gz TZPUEAGLFFHGGO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCCC2CCC2)C3)CCC1 ZINC000981812684 719072426 /nfs/dbraw/zinc/07/24/26/719072426.db2.gz TZPUEAGLFFHGGO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981842004 719118593 /nfs/dbraw/zinc/11/85/93/719118593.db2.gz QSIXYJHFAIXFJN-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981842004 719118594 /nfs/dbraw/zinc/11/85/94/719118594.db2.gz QSIXYJHFAIXFJN-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCCC(C)(C)[NH3+] ZINC000892861548 719241929 /nfs/dbraw/zinc/24/19/29/719241929.db2.gz SZGVDCUPCGGZRY-UHFFFAOYSA-N 1 3 340.899 2.541 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025629793 719255222 /nfs/dbraw/zinc/25/52/22/719255222.db2.gz KVUSLJBZHIJKLP-WMZOPIPTSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025629793 719255223 /nfs/dbraw/zinc/25/52/23/719255223.db2.gz KVUSLJBZHIJKLP-WMZOPIPTSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025629790 719255230 /nfs/dbraw/zinc/25/52/30/719255230.db2.gz KVUSLJBZHIJKLP-AEFFLSMTSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025629790 719255231 /nfs/dbraw/zinc/25/52/31/719255231.db2.gz KVUSLJBZHIJKLP-AEFFLSMTSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982008417 719429908 /nfs/dbraw/zinc/42/99/08/719429908.db2.gz AOCAQYUWNMLGNN-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982008417 719429910 /nfs/dbraw/zinc/42/99/10/719429910.db2.gz AOCAQYUWNMLGNN-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000982012255 719436219 /nfs/dbraw/zinc/43/62/19/719436219.db2.gz UCZNORQZDGPOKM-SFHVURJKSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000982012255 719436222 /nfs/dbraw/zinc/43/62/22/719436222.db2.gz UCZNORQZDGPOKM-SFHVURJKSA-N 1 3 341.499 2.595 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012247 719436753 /nfs/dbraw/zinc/43/67/53/719436753.db2.gz TXEZMKWJODZPDE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC000982012247 719436755 /nfs/dbraw/zinc/43/67/55/719436755.db2.gz TXEZMKWJODZPDE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CC(C)(C)C2)C3)C1 ZINC000982012876 719437169 /nfs/dbraw/zinc/43/71/69/719437169.db2.gz HAFOUPMHHMISRD-KRWDZBQOSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CC(C)(C)C2)C3)C1 ZINC000982012876 719437173 /nfs/dbraw/zinc/43/71/73/719437173.db2.gz HAFOUPMHHMISRD-KRWDZBQOSA-N 1 3 347.547 2.689 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013542 719439332 /nfs/dbraw/zinc/43/93/32/719439332.db2.gz VEOLCXFDQUUQGU-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000982013542 719439335 /nfs/dbraw/zinc/43/93/35/719439335.db2.gz VEOLCXFDQUUQGU-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982084653 719527196 /nfs/dbraw/zinc/52/71/96/719527196.db2.gz XAFRSNDRTYKQTN-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCCN(CC3=CCCCC3)CC2)CC1 ZINC000982086862 719529422 /nfs/dbraw/zinc/52/94/22/719529422.db2.gz RHTHVQVSFOMTBP-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)c1 ZINC000982086825 719529613 /nfs/dbraw/zinc/52/96/13/719529613.db2.gz PYJZKWRTJJDTQO-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925835930 719557584 /nfs/dbraw/zinc/55/75/84/719557584.db2.gz VUHLKRJMKMHELN-OWCLPIDISA-N 1 3 333.442 2.771 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@H]1C1CCCC1 ZINC000925835930 719557588 /nfs/dbraw/zinc/55/75/88/719557588.db2.gz VUHLKRJMKMHELN-OWCLPIDISA-N 1 3 333.442 2.771 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000982163534 719607482 /nfs/dbraw/zinc/60/74/82/719607482.db2.gz FFXOYUBHIKYPAV-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)C)C2 ZINC000982163534 719607483 /nfs/dbraw/zinc/60/74/83/719607483.db2.gz FFXOYUBHIKYPAV-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC000982163485 719607750 /nfs/dbraw/zinc/60/77/50/719607750.db2.gz CIEYDPAHIZLZIP-ACBHZAAOSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC000982163485 719607754 /nfs/dbraw/zinc/60/77/54/719607754.db2.gz CIEYDPAHIZLZIP-ACBHZAAOSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160737 719619412 /nfs/dbraw/zinc/61/94/12/719619412.db2.gz CWMMZCAWFBYMKY-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982160737 719619416 /nfs/dbraw/zinc/61/94/16/719619416.db2.gz CWMMZCAWFBYMKY-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982161637 719620271 /nfs/dbraw/zinc/62/02/71/719620271.db2.gz YYRPYDMPLSWISN-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982161637 719620274 /nfs/dbraw/zinc/62/02/74/719620274.db2.gz YYRPYDMPLSWISN-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1OC ZINC000893098471 719631504 /nfs/dbraw/zinc/63/15/04/719631504.db2.gz ORMVSOVQZNFTPD-DABHTEOTSA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1OC ZINC000893098471 719631508 /nfs/dbraw/zinc/63/15/08/719631508.db2.gz ORMVSOVQZNFTPD-DABHTEOTSA-N 1 3 332.488 2.822 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040890 719666086 /nfs/dbraw/zinc/66/60/86/719666086.db2.gz SZARJHFUOXQASH-XJEZRWEYSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040890 719666090 /nfs/dbraw/zinc/66/60/90/719666090.db2.gz SZARJHFUOXQASH-XJEZRWEYSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040889 719666138 /nfs/dbraw/zinc/66/61/38/719666138.db2.gz SZARJHFUOXQASH-UDKQVLDHSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@@H]1C ZINC001026040889 719666142 /nfs/dbraw/zinc/66/61/42/719666142.db2.gz SZARJHFUOXQASH-UDKQVLDHSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)c1 ZINC001026043340 719672898 /nfs/dbraw/zinc/67/28/98/719672898.db2.gz LEBQOWBMEKMXLK-XJEZRWEYSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)c1 ZINC001026043340 719672900 /nfs/dbraw/zinc/67/29/00/719672900.db2.gz LEBQOWBMEKMXLK-XJEZRWEYSA-N 1 3 341.499 2.587 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982276129 719775265 /nfs/dbraw/zinc/77/52/65/719775265.db2.gz NKPUTOSBOCKAMO-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982276129 719775268 /nfs/dbraw/zinc/77/52/68/719775268.db2.gz NKPUTOSBOCKAMO-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982276366 719776277 /nfs/dbraw/zinc/77/62/77/719776277.db2.gz ROSZCPNTFLSYDC-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982276366 719776282 /nfs/dbraw/zinc/77/62/82/719776282.db2.gz ROSZCPNTFLSYDC-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001026138930 719787108 /nfs/dbraw/zinc/78/71/08/719787108.db2.gz DGRHPTCXVIULLU-SGWMQEFOSA-N 1 3 347.547 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001026138930 719787111 /nfs/dbraw/zinc/78/71/11/719787111.db2.gz DGRHPTCXVIULLU-SGWMQEFOSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148349 719801877 /nfs/dbraw/zinc/80/18/77/719801877.db2.gz BAOFLFDNOGKSKO-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148349 719801887 /nfs/dbraw/zinc/80/18/87/719801887.db2.gz BAOFLFDNOGKSKO-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000982296178 719838603 /nfs/dbraw/zinc/83/86/03/719838603.db2.gz MHEFTPPBYQQKHP-NRSPTQNISA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)C1CC1 ZINC000982296178 719838609 /nfs/dbraw/zinc/83/86/09/719838609.db2.gz MHEFTPPBYQQKHP-NRSPTQNISA-N 1 3 347.547 2.687 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000261681881 720023858 /nfs/dbraw/zinc/02/38/58/720023858.db2.gz AIFBDZQMXOXESC-OAHLLOKOSA-N 1 3 343.393 2.525 20 0 EFADHO COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(OC)c1OC ZINC000261686473 720040255 /nfs/dbraw/zinc/04/02/55/720040255.db2.gz NFFPJGUBPVQMMG-INIZCTEOSA-N 1 3 334.460 2.676 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001026267892 720080073 /nfs/dbraw/zinc/08/00/73/720080073.db2.gz RWVNGBHZTGOQPK-OKZBNKHCSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986353739 724649138 /nfs/dbraw/zinc/64/91/38/724649138.db2.gz JHQFZLDLTQSJLF-PXNSSMCTSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986353741 724649178 /nfs/dbraw/zinc/64/91/78/724649178.db2.gz JHQFZLDLTQSJLF-XLIONFOSSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353844 724649216 /nfs/dbraw/zinc/64/92/16/724649216.db2.gz JONACEFVNFRCBH-KXBFYZLASA-N 1 3 347.478 2.719 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986354663 724649555 /nfs/dbraw/zinc/64/95/55/724649555.db2.gz KXGXTHHJTRFEHF-DNVCBOLYSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986356035 724650014 /nfs/dbraw/zinc/65/00/14/724650014.db2.gz NYMFEPMXSPPQLD-KXBFYZLASA-N 1 3 347.478 2.697 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4=CCCCC4)[C@H]3C2)CCC1 ZINC001026283160 720130443 /nfs/dbraw/zinc/13/04/43/720130443.db2.gz CQQIIMZVNAFZTJ-FHWLQOOXSA-N 1 3 345.531 2.798 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C1)C1CCC1 ZINC001026283443 720130859 /nfs/dbraw/zinc/13/08/59/720130859.db2.gz IDZHORYZYNXHGZ-IHPCNDPISA-N 1 3 345.531 2.798 20 0 EFADHO C[NH+]1CCC(CN(CCO)Cc2ccc(Br)s2)CC1 ZINC000893999125 720213442 /nfs/dbraw/zinc/21/34/42/720213442.db2.gz FKCMFGOIQSANHB-UHFFFAOYSA-N 1 3 347.322 2.647 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986351592 724659617 /nfs/dbraw/zinc/65/96/17/724659617.db2.gz DAQOZDYDVJOOBZ-DNVCBOLYSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986352024 724659763 /nfs/dbraw/zinc/65/97/63/724659763.db2.gz FIZBJNHKLSEDAK-PXNSSMCTSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986353278 724660267 /nfs/dbraw/zinc/66/02/67/724660267.db2.gz IWEAZHVGYHNOMR-YLJYHZDGSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000894075916 720269980 /nfs/dbraw/zinc/26/99/80/720269980.db2.gz JOXYPSNGHCWQDS-OPECEQKHSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000894075916 720269983 /nfs/dbraw/zinc/26/99/83/720269983.db2.gz JOXYPSNGHCWQDS-OPECEQKHSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@H]1CN(Cc2cccc3c2NCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894076995 720270450 /nfs/dbraw/zinc/27/04/50/720270450.db2.gz SHPVHNOAYJXJQL-FXAWDEMLSA-N 1 3 342.531 2.503 20 0 EFADHO O=c1oc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095545 720280316 /nfs/dbraw/zinc/28/03/16/720280316.db2.gz RWYKEHSKUXXIOE-GDBMZVCRSA-N 1 3 328.412 2.835 20 0 EFADHO O=c1oc2ccc(C[N@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095545 720280320 /nfs/dbraw/zinc/28/03/20/720280320.db2.gz RWYKEHSKUXXIOE-GDBMZVCRSA-N 1 3 328.412 2.835 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001029829137 724663807 /nfs/dbraw/zinc/66/38/07/724663807.db2.gz VYDSBBZCDWYPMS-WOJBJXKFSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001029829137 724663809 /nfs/dbraw/zinc/66/38/09/724663809.db2.gz VYDSBBZCDWYPMS-WOJBJXKFSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001029829478 724665354 /nfs/dbraw/zinc/66/53/54/724665354.db2.gz GECKDFSGFPDYMR-UYAOXDASSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001029829478 724665356 /nfs/dbraw/zinc/66/53/56/724665356.db2.gz GECKDFSGFPDYMR-UYAOXDASSA-N 1 3 345.531 2.862 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029830488 724668554 /nfs/dbraw/zinc/66/85/54/724668554.db2.gz ZNWUJEJQHYDXDV-RTBURBONSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029830488 724668557 /nfs/dbraw/zinc/66/85/57/724668557.db2.gz ZNWUJEJQHYDXDV-RTBURBONSA-N 1 3 331.504 2.553 20 0 EFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729857 720356494 /nfs/dbraw/zinc/35/64/94/720356494.db2.gz YPQGRHDNAWWFFU-RBUKOAKNSA-N 1 3 333.439 2.822 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333237 720373662 /nfs/dbraw/zinc/37/36/62/720373662.db2.gz GXJQXGNWXYZSGK-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333237 720373667 /nfs/dbraw/zinc/37/36/67/720373667.db2.gz GXJQXGNWXYZSGK-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001008164986 720407828 /nfs/dbraw/zinc/40/78/28/720407828.db2.gz WAMZQPMRPSMXLK-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001008164986 720407831 /nfs/dbraw/zinc/40/78/31/720407831.db2.gz WAMZQPMRPSMXLK-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000310098321 720453566 /nfs/dbraw/zinc/45/35/66/720453566.db2.gz WIUDMLDHASAIHJ-VNTMZGSJSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000310098321 720453567 /nfs/dbraw/zinc/45/35/67/720453567.db2.gz WIUDMLDHASAIHJ-VNTMZGSJSA-N 1 3 332.488 2.681 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCC4)[C@H]3C2)CC1 ZINC001026386914 720455582 /nfs/dbraw/zinc/45/55/82/720455582.db2.gz UNGRXNWSEWIOME-UFYCRDLUSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]12 ZINC001026427452 720559009 /nfs/dbraw/zinc/55/90/09/720559009.db2.gz OGZQIPWZNUPKNE-BHIYHBOVSA-N 1 3 329.488 2.597 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026428091 720559850 /nfs/dbraw/zinc/55/98/50/720559850.db2.gz ZUEAJTKPFWAGCN-IPMKNSEASA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001029839643 724688974 /nfs/dbraw/zinc/68/89/74/724688974.db2.gz FTXRFHUQYHPZPY-PKOBYXMFSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001029839643 724688975 /nfs/dbraw/zinc/68/89/75/724688975.db2.gz FTXRFHUQYHPZPY-PKOBYXMFSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001029840337 724689935 /nfs/dbraw/zinc/68/99/35/724689935.db2.gz WSIJNJSMZKNEEO-AZUAARDMSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001029840337 724689937 /nfs/dbraw/zinc/68/99/37/724689937.db2.gz WSIJNJSMZKNEEO-AZUAARDMSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001029841475 724691474 /nfs/dbraw/zinc/69/14/74/724691474.db2.gz IVUQNFNRDYHKSE-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1 ZINC001029841475 724691479 /nfs/dbraw/zinc/69/14/79/724691479.db2.gz IVUQNFNRDYHKSE-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000985593593 724691524 /nfs/dbraw/zinc/69/15/24/724691524.db2.gz LMNYFKLZJWPDPM-GOSISDBHSA-N 1 3 339.499 2.676 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000985593593 724691528 /nfs/dbraw/zinc/69/15/28/724691528.db2.gz LMNYFKLZJWPDPM-GOSISDBHSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841566 724691791 /nfs/dbraw/zinc/69/17/91/724691791.db2.gz KBXIAZXWNIUQAB-ZWKOTPCHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841566 724691792 /nfs/dbraw/zinc/69/17/92/724691792.db2.gz KBXIAZXWNIUQAB-ZWKOTPCHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841196 724692205 /nfs/dbraw/zinc/69/22/05/724692205.db2.gz GIHMTRMCKPSRQV-IRXDYDNUSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841196 724692206 /nfs/dbraw/zinc/69/22/06/724692206.db2.gz GIHMTRMCKPSRQV-IRXDYDNUSA-N 1 3 335.536 2.687 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000236980033 720683376 /nfs/dbraw/zinc/68/33/76/720683376.db2.gz DMDYIKGZDLERQT-AHRSYUTCSA-N 1 3 345.531 2.994 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001029842930 724698129 /nfs/dbraw/zinc/69/81/29/724698129.db2.gz ZDYSNKDKGXPXFD-DLBZAZTESA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001029842930 724698130 /nfs/dbraw/zinc/69/81/30/724698130.db2.gz ZDYSNKDKGXPXFD-DLBZAZTESA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982519223 720708726 /nfs/dbraw/zinc/70/87/26/720708726.db2.gz BCJTZMPXFDKAHO-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1)N(C)C ZINC000982519223 720708731 /nfs/dbraw/zinc/70/87/31/720708731.db2.gz BCJTZMPXFDKAHO-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001026560712 720748186 /nfs/dbraw/zinc/74/81/86/720748186.db2.gz CIJPBYUYHRNTNF-QHGAOEGBSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001026560937 720748582 /nfs/dbraw/zinc/74/85/82/720748582.db2.gz KIRXGWCFTOJUGQ-FAEJEUNOSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001026560968 720748674 /nfs/dbraw/zinc/74/86/74/720748674.db2.gz LYDDWQDZARFTEL-VNCLNFNDSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001026560912 720748816 /nfs/dbraw/zinc/74/88/16/720748816.db2.gz JKIXPKQSHSBHIB-QHGAOEGBSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC001026598471 720797392 /nfs/dbraw/zinc/79/73/92/720797392.db2.gz IKUGAIVWVMEEBB-UHFFFAOYSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001026598833 720798276 /nfs/dbraw/zinc/79/82/76/720798276.db2.gz WXXVHJOMULSYFY-UHFFFAOYSA-N 1 3 344.434 2.617 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CC4CCCC4)C[C@]3(C)C2)C1 ZINC000982557180 720828490 /nfs/dbraw/zinc/82/84/90/720828490.db2.gz NJDZFLNYWUCCHO-UIFIKXQLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CC4CCCC4)C[C@]3(C)C2)C1 ZINC000982557180 720828497 /nfs/dbraw/zinc/82/84/97/720828497.db2.gz NJDZFLNYWUCCHO-UIFIKXQLSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557640 720829081 /nfs/dbraw/zinc/82/90/81/720829081.db2.gz UDSYJDVBQIETSP-RLLQIKCJSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557640 720829089 /nfs/dbraw/zinc/82/90/89/720829089.db2.gz UDSYJDVBQIETSP-RLLQIKCJSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001008510415 720853064 /nfs/dbraw/zinc/85/30/64/720853064.db2.gz PQKYDCXVHDIJJO-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001008510415 720853072 /nfs/dbraw/zinc/85/30/72/720853072.db2.gz PQKYDCXVHDIJJO-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CCCC1CCC1)C2 ZINC000982600433 720933907 /nfs/dbraw/zinc/93/39/07/720933907.db2.gz YHJUJBHZHATOKL-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CCCC1CCC1)C2 ZINC000982600433 720933909 /nfs/dbraw/zinc/93/39/09/720933909.db2.gz YHJUJBHZHATOKL-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001028536407 720985113 /nfs/dbraw/zinc/98/51/13/720985113.db2.gz BLZASKKNCRNTPM-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001028536407 720985117 /nfs/dbraw/zinc/98/51/17/720985117.db2.gz BLZASKKNCRNTPM-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028537694 720987208 /nfs/dbraw/zinc/98/72/08/720987208.db2.gz QESYSQQDUOVMOZ-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028537694 720987211 /nfs/dbraw/zinc/98/72/11/720987211.db2.gz QESYSQQDUOVMOZ-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026732202 720995067 /nfs/dbraw/zinc/99/50/67/720995067.db2.gz AHEKFXHMQQWGSF-MAUKXSAKSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026734522 721009233 /nfs/dbraw/zinc/00/92/33/721009233.db2.gz PDEKQNUVVPBFHW-ICSRJNTNSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026734524 721009274 /nfs/dbraw/zinc/00/92/74/721009274.db2.gz PDEKQNUVVPBFHW-UYAOXDASSA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001029947000 724728877 /nfs/dbraw/zinc/72/88/77/724728877.db2.gz CUKOLULPPZYMLN-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001029947000 724728880 /nfs/dbraw/zinc/72/88/80/724728880.db2.gz CUKOLULPPZYMLN-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001028579524 721099531 /nfs/dbraw/zinc/09/95/31/721099531.db2.gz GMKFEDLLCXNOEL-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001028579524 721099538 /nfs/dbraw/zinc/09/95/38/721099538.db2.gz GMKFEDLLCXNOEL-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028580347 721109521 /nfs/dbraw/zinc/10/95/21/721109521.db2.gz URVZSAFSSBOIFR-AEFFLSMTSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028580347 721109524 /nfs/dbraw/zinc/10/95/24/721109524.db2.gz URVZSAFSSBOIFR-AEFFLSMTSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652766 721242490 /nfs/dbraw/zinc/24/24/90/721242490.db2.gz QRNHQRDKVYBOOW-ROUUACIJSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652766 721242493 /nfs/dbraw/zinc/24/24/93/721242493.db2.gz QRNHQRDKVYBOOW-ROUUACIJSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001026885892 721295232 /nfs/dbraw/zinc/29/52/32/721295232.db2.gz OMINGDADEMXUQG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888817 721297396 /nfs/dbraw/zinc/29/73/96/721297396.db2.gz OFYSKRMVGVOIQS-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001026889499 721298023 /nfs/dbraw/zinc/29/80/23/721298023.db2.gz XHRPIOXDZCMVPD-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001026889217 721298223 /nfs/dbraw/zinc/29/82/23/721298223.db2.gz UDOMGFJJLKEPSS-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC001026889694 721298864 /nfs/dbraw/zinc/29/88/64/721298864.db2.gz ZRGWIENSRWMDTA-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890574 721299338 /nfs/dbraw/zinc/29/93/38/721299338.db2.gz LHXQYIQSCVWOMZ-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO CN(Cc1ccc(N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1)C1CC1 ZINC001164770844 721299804 /nfs/dbraw/zinc/29/98/04/721299804.db2.gz WUFVVTAQUKCPMC-UHFFFAOYSA-N 1 3 326.488 2.598 20 0 EFADHO CN(Cc1ccc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)nc1)C1CC1 ZINC001164770844 721299805 /nfs/dbraw/zinc/29/98/05/721299805.db2.gz WUFVVTAQUKCPMC-UHFFFAOYSA-N 1 3 326.488 2.598 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001026891393 721301096 /nfs/dbraw/zinc/30/10/96/721301096.db2.gz SUABJLYNPDZGSN-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982831440 721303986 /nfs/dbraw/zinc/30/39/86/721303986.db2.gz LHRAYGZGXQCHEN-OYRHEFFESA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982831440 721303989 /nfs/dbraw/zinc/30/39/89/721303989.db2.gz LHRAYGZGXQCHEN-OYRHEFFESA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001026888312 721308733 /nfs/dbraw/zinc/30/87/33/721308733.db2.gz CVXPNADFUDJVBJ-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1)C1CCC1 ZINC001026888425 721308770 /nfs/dbraw/zinc/30/87/70/721308770.db2.gz FSZMCVMUEGZYIP-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001026888686 721309335 /nfs/dbraw/zinc/30/93/35/721309335.db2.gz LFEUWKXPMNPKLU-YJBOKZPZSA-N 1 3 349.544 2.643 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901288 721312177 /nfs/dbraw/zinc/31/21/77/721312177.db2.gz MMCCPTDUZVDGED-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001026901424 721312605 /nfs/dbraw/zinc/31/26/05/721312605.db2.gz PCBWBJZNFJYVPI-PMACEKPBSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001026901506 721312780 /nfs/dbraw/zinc/31/27/80/721312780.db2.gz QZCXXPKQRMZYKK-WBVHZDCISA-N 1 3 337.533 2.581 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985645726 724750523 /nfs/dbraw/zinc/75/05/23/724750523.db2.gz CSGOASUOTAEFRB-QGZVFWFLSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985645726 724750525 /nfs/dbraw/zinc/75/05/25/724750525.db2.gz CSGOASUOTAEFRB-QGZVFWFLSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985646854 724751711 /nfs/dbraw/zinc/75/17/11/724751711.db2.gz LZNKHTMHQOKUMR-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000985646854 724751714 /nfs/dbraw/zinc/75/17/14/724751714.db2.gz LZNKHTMHQOKUMR-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985646947 724752187 /nfs/dbraw/zinc/75/21/87/724752187.db2.gz MIQSMLWQXVVROM-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985646947 724752190 /nfs/dbraw/zinc/75/21/90/724752190.db2.gz MIQSMLWQXVVROM-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000985646742 724752622 /nfs/dbraw/zinc/75/26/22/724752622.db2.gz KNEVKADFPYSJQD-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000985646742 724752624 /nfs/dbraw/zinc/75/26/24/724752624.db2.gz KNEVKADFPYSJQD-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001026916426 721343356 /nfs/dbraw/zinc/34/33/56/721343356.db2.gz HRFJZHXMKSZFNS-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001026916592 721343710 /nfs/dbraw/zinc/34/37/10/721343710.db2.gz LGPXNALVJCVHNO-UYAOXDASSA-N 1 3 345.531 2.890 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001026917213 721344426 /nfs/dbraw/zinc/34/44/26/721344426.db2.gz XFBODUAVASDBPY-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC000985647495 724754009 /nfs/dbraw/zinc/75/40/09/724754009.db2.gz RDVIORMWTGXXPE-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000985647495 724754011 /nfs/dbraw/zinc/75/40/11/724754011.db2.gz RDVIORMWTGXXPE-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1 ZINC000985648073 724754548 /nfs/dbraw/zinc/75/45/48/724754548.db2.gz UKTMBNJOINPHNW-SFHVURJKSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC000985648073 724754551 /nfs/dbraw/zinc/75/45/51/724754551.db2.gz UKTMBNJOINPHNW-SFHVURJKSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974760431 721397074 /nfs/dbraw/zinc/39/70/74/721397074.db2.gz RCAZMJVKAIWEJQ-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974760431 721397077 /nfs/dbraw/zinc/39/70/77/721397077.db2.gz RCAZMJVKAIWEJQ-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC1(C)CN(CC2=CCCCC2)C[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000974765839 721412809 /nfs/dbraw/zinc/41/28/09/721412809.db2.gz FJOVYMSUTSXCQA-SFHVURJKSA-N 1 3 345.531 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985653378 724762116 /nfs/dbraw/zinc/76/21/16/724762116.db2.gz QZWIIBKWISDINY-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985653378 724762118 /nfs/dbraw/zinc/76/21/18/724762118.db2.gz QZWIIBKWISDINY-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974768245 721414637 /nfs/dbraw/zinc/41/46/37/721414637.db2.gz SAYPQXZIPZIKGA-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000974768245 721414641 /nfs/dbraw/zinc/41/46/41/721414641.db2.gz SAYPQXZIPZIKGA-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985653682 724762432 /nfs/dbraw/zinc/76/24/32/724762432.db2.gz LNCHXTYIFWURRS-QGZVFWFLSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000985653682 724762436 /nfs/dbraw/zinc/76/24/36/724762436.db2.gz LNCHXTYIFWURRS-QGZVFWFLSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762177 721420262 /nfs/dbraw/zinc/42/02/62/721420262.db2.gz WMUGAMFKCYQPRO-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C(C)(C)C1 ZINC000974762177 721420267 /nfs/dbraw/zinc/42/02/67/721420267.db2.gz WMUGAMFKCYQPRO-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2csc(C)c2)CC1)N(C)C ZINC000985656037 724765767 /nfs/dbraw/zinc/76/57/67/724765767.db2.gz KSXKSIUMXTTWIG-KRWDZBQOSA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2csc(C)c2)CC1)N(C)C ZINC000985656037 724765769 /nfs/dbraw/zinc/76/57/69/724765769.db2.gz KSXKSIUMXTTWIG-KRWDZBQOSA-N 1 3 337.533 2.820 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC000985655580 724766072 /nfs/dbraw/zinc/76/60/72/724766072.db2.gz UCYOLYSVXWHUTB-HNNXBMFYSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC000985655580 724766073 /nfs/dbraw/zinc/76/60/73/724766073.db2.gz UCYOLYSVXWHUTB-HNNXBMFYSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864865 721486243 /nfs/dbraw/zinc/48/62/43/721486243.db2.gz RVEGOHGKCHIRIT-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864865 721486246 /nfs/dbraw/zinc/48/62/46/721486246.db2.gz RVEGOHGKCHIRIT-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC001028870892 722063233 /nfs/dbraw/zinc/06/32/33/722063233.db2.gz XWGVKEHQRSWSDG-QXQYKPFFSA-N 1 3 335.879 2.552 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028918391 722095901 /nfs/dbraw/zinc/09/59/01/722095901.db2.gz GVFFVKCVTDKEOW-RUZMYDRRSA-N 1 3 341.927 2.832 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028918391 722095902 /nfs/dbraw/zinc/09/59/02/722095902.db2.gz GVFFVKCVTDKEOW-RUZMYDRRSA-N 1 3 341.927 2.832 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028919418 722097059 /nfs/dbraw/zinc/09/70/59/722097059.db2.gz WKASTGZCGYVAQG-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028919418 722097060 /nfs/dbraw/zinc/09/70/60/722097060.db2.gz WKASTGZCGYVAQG-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000414 722616198 /nfs/dbraw/zinc/61/61/98/722616198.db2.gz CTROLVQNTLNDQF-DLBZAZTESA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000414 722616199 /nfs/dbraw/zinc/61/61/99/722616199.db2.gz CTROLVQNTLNDQF-DLBZAZTESA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000417 722616447 /nfs/dbraw/zinc/61/64/47/722616447.db2.gz CTROLVQNTLNDQF-SJORKVTESA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000417 722616448 /nfs/dbraw/zinc/61/64/48/722616448.db2.gz CTROLVQNTLNDQF-SJORKVTESA-N 1 3 331.504 2.846 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001029000723 722617090 /nfs/dbraw/zinc/61/70/90/722617090.db2.gz IHRCENQSVQSAFQ-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001029000723 722617091 /nfs/dbraw/zinc/61/70/91/722617091.db2.gz IHRCENQSVQSAFQ-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000807 722617354 /nfs/dbraw/zinc/61/73/54/722617354.db2.gz KFEJKUNCOTZJMN-SJLPKXTDSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000807 722617355 /nfs/dbraw/zinc/61/73/55/722617355.db2.gz KFEJKUNCOTZJMN-SJLPKXTDSA-N 1 3 335.467 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001029000944 722617533 /nfs/dbraw/zinc/61/75/33/722617533.db2.gz MLFNYABDDSTDEB-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001029000944 722617536 /nfs/dbraw/zinc/61/75/36/722617536.db2.gz MLFNYABDDSTDEB-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCN(C/C=C/Cl)C2)c1 ZINC001029000509 722617716 /nfs/dbraw/zinc/61/77/16/722617716.db2.gz GECIVKMVWPZIEI-KZJSRBBCSA-N 1 3 335.879 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001029001199 722618268 /nfs/dbraw/zinc/61/82/68/722618268.db2.gz RERFVBSAHSERPP-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001029001199 722618269 /nfs/dbraw/zinc/61/82/69/722618269.db2.gz RERFVBSAHSERPP-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065112 722725057 /nfs/dbraw/zinc/72/50/57/722725057.db2.gz CPTMALQBIDHNHW-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO COCCOC[C@H](C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000894554379 722781248 /nfs/dbraw/zinc/78/12/48/722781248.db2.gz ANEHXBLXXYWSKO-ICSRJNTNSA-N 1 3 334.504 2.930 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782861 722846857 /nfs/dbraw/zinc/84/68/57/722846857.db2.gz NYCVPDJJBMZLID-RDBSUJKOSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782861 722846859 /nfs/dbraw/zinc/84/68/59/722846859.db2.gz NYCVPDJJBMZLID-RDBSUJKOSA-N 1 3 349.466 2.807 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000983662652 722848481 /nfs/dbraw/zinc/84/84/81/722848481.db2.gz SWPYQCBBLNNJTD-BHIYHBOVSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147622 722925445 /nfs/dbraw/zinc/92/54/45/722925445.db2.gz XWJDZBVOMGCKJG-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029151299 722928806 /nfs/dbraw/zinc/92/88/06/722928806.db2.gz ZYAWMCUZMCRDOO-JKSUJKDBSA-N 1 3 340.471 2.930 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(C4CCC4)c3)CC2)CC1 ZINC000894978300 723042278 /nfs/dbraw/zinc/04/22/78/723042278.db2.gz NMMCGAUCERXTGN-UHFFFAOYSA-N 1 3 345.535 2.600 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000896082871 723128754 /nfs/dbraw/zinc/12/87/54/723128754.db2.gz UOCRQHLJEVPTIK-GOSISDBHSA-N 1 3 335.492 2.581 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C(C)C ZINC000896082871 723128755 /nfs/dbraw/zinc/12/87/55/723128755.db2.gz UOCRQHLJEVPTIK-GOSISDBHSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000896163158 723163744 /nfs/dbraw/zinc/16/37/44/723163744.db2.gz DGHVFEAMRKXCGZ-LJQANCHMSA-N 1 3 347.503 2.535 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000896183794 723178749 /nfs/dbraw/zinc/17/87/49/723178749.db2.gz IGWOQRCGKYGIHK-IBGZPJMESA-N 1 3 347.503 2.725 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000896183794 723178752 /nfs/dbraw/zinc/17/87/52/723178752.db2.gz IGWOQRCGKYGIHK-IBGZPJMESA-N 1 3 347.503 2.725 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473641 723284999 /nfs/dbraw/zinc/28/49/99/723284999.db2.gz QIUYVRFQJOJUBI-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473641 723285001 /nfs/dbraw/zinc/28/50/01/723285001.db2.gz QIUYVRFQJOJUBI-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029306035 723320669 /nfs/dbraw/zinc/32/06/69/723320669.db2.gz DUYARDUKJLVYBY-FGTMMUONSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029306035 723320672 /nfs/dbraw/zinc/32/06/72/723320672.db2.gz DUYARDUKJLVYBY-FGTMMUONSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCCC1 ZINC001029308388 723324777 /nfs/dbraw/zinc/32/47/77/723324777.db2.gz DADGMSZRKWJCAF-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCCC1 ZINC001029308388 723324778 /nfs/dbraw/zinc/32/47/78/723324778.db2.gz DADGMSZRKWJCAF-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802004 728815562 /nfs/dbraw/zinc/81/55/62/728815562.db2.gz MEYOLHNYUZSVNC-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802004 728815564 /nfs/dbraw/zinc/81/55/64/728815564.db2.gz MEYOLHNYUZSVNC-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000896631386 723414084 /nfs/dbraw/zinc/41/40/84/723414084.db2.gz PLGQWKCGMYEXSC-IPELMVKDSA-N 1 3 347.503 2.533 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000896631386 723414087 /nfs/dbraw/zinc/41/40/87/723414087.db2.gz PLGQWKCGMYEXSC-IPELMVKDSA-N 1 3 347.503 2.533 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756973 723465747 /nfs/dbraw/zinc/46/57/47/723465747.db2.gz VBQODWFPLJIJLH-LPHOPBHVSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756973 723465748 /nfs/dbraw/zinc/46/57/48/723465748.db2.gz VBQODWFPLJIJLH-LPHOPBHVSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000984799824 723494536 /nfs/dbraw/zinc/49/45/36/723494536.db2.gz KWYWNHQAMOEAIC-FPXQBCRKSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000984800899 723494958 /nfs/dbraw/zinc/49/49/58/723494958.db2.gz ULZXZZVCLDWKKU-BJLQDIEVSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000984803230 723495519 /nfs/dbraw/zinc/49/55/19/723495519.db2.gz GNRHAIYJQLEJOH-QGPMSJSTSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000984804184 723496020 /nfs/dbraw/zinc/49/60/20/723496020.db2.gz MPISHFPGMMSHPU-AJYBTWMASA-N 1 3 343.515 2.882 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000984805005 723496273 /nfs/dbraw/zinc/49/62/73/723496273.db2.gz QYAJTQZHQWCKOA-BQFCYCMXSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984802464 723499864 /nfs/dbraw/zinc/49/98/64/723499864.db2.gz AYVOPSQJUSURFY-QXCFHYIPSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC000984802836 723500155 /nfs/dbraw/zinc/50/01/55/723500155.db2.gz CUQFGZLZPPQYTL-FPXQBCRKSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC000984888271 723537486 /nfs/dbraw/zinc/53/74/86/723537486.db2.gz SBIJACOCGNBANV-CPLYBDICSA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029503108 723578840 /nfs/dbraw/zinc/57/88/40/723578840.db2.gz JWJQFQMNHZWTEN-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029503108 723578843 /nfs/dbraw/zinc/57/88/43/723578843.db2.gz JWJQFQMNHZWTEN-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031806646 728842872 /nfs/dbraw/zinc/84/28/72/728842872.db2.gz JESDEACUTGUZNC-YLJYHZDGSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031806646 728842876 /nfs/dbraw/zinc/84/28/76/728842876.db2.gz JESDEACUTGUZNC-YLJYHZDGSA-N 1 3 343.515 2.916 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)c1 ZINC000985076523 723816779 /nfs/dbraw/zinc/81/67/79/723816779.db2.gz QISMFFMCXAVJME-IYARVYRRSA-N 1 3 340.471 2.508 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029550193 723869567 /nfs/dbraw/zinc/86/95/67/723869567.db2.gz DFHAUARFKBGEJQ-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029550193 723869569 /nfs/dbraw/zinc/86/95/69/723869569.db2.gz DFHAUARFKBGEJQ-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029550193 723869571 /nfs/dbraw/zinc/86/95/71/723869571.db2.gz DFHAUARFKBGEJQ-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029550193 723869576 /nfs/dbraw/zinc/86/95/76/723869576.db2.gz DFHAUARFKBGEJQ-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN(CC[NH+](C)C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897057660 723971307 /nfs/dbraw/zinc/97/13/07/723971307.db2.gz CRMCLTJDEHMMLH-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO Cn1ncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C1CC1 ZINC000895347499 724057992 /nfs/dbraw/zinc/05/79/92/724057992.db2.gz ZNRJYHIIIWFFTI-UHFFFAOYSA-N 1 3 339.487 2.694 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)C1 ZINC001029437028 724116535 /nfs/dbraw/zinc/11/65/35/724116535.db2.gz RPGQKDOQISCABF-XLAORIBOSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@H](C)F)C1 ZINC001029437028 724116540 /nfs/dbraw/zinc/11/65/40/724116540.db2.gz RPGQKDOQISCABF-XLAORIBOSA-N 1 3 339.499 2.532 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000985327764 724129007 /nfs/dbraw/zinc/12/90/07/724129007.db2.gz KUSYARWHBAQGSI-LJQANCHMSA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000985327764 724129008 /nfs/dbraw/zinc/12/90/08/724129008.db2.gz KUSYARWHBAQGSI-LJQANCHMSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)s1 ZINC000985331551 724130675 /nfs/dbraw/zinc/13/06/75/724130675.db2.gz HZHDUHQBYWTLKV-GOSISDBHSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)s1 ZINC000985331551 724130677 /nfs/dbraw/zinc/13/06/77/724130677.db2.gz HZHDUHQBYWTLKV-GOSISDBHSA-N 1 3 349.544 2.882 20 0 EFADHO CCc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985331924 724130726 /nfs/dbraw/zinc/13/07/26/724130726.db2.gz IRSNCKBKOIYRSS-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985331924 724130729 /nfs/dbraw/zinc/13/07/29/724130729.db2.gz IRSNCKBKOIYRSS-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331023 724134292 /nfs/dbraw/zinc/13/42/92/724134292.db2.gz BWJDWNQJSVSNQG-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331023 724134293 /nfs/dbraw/zinc/13/42/93/724134293.db2.gz BWJDWNQJSVSNQG-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000895705647 724265317 /nfs/dbraw/zinc/26/53/17/724265317.db2.gz DPWDWMGCCYJKEQ-GOSISDBHSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCC[N@@H+](C)C(C)C)cc1 ZINC000895705647 724265321 /nfs/dbraw/zinc/26/53/21/724265321.db2.gz DPWDWMGCCYJKEQ-GOSISDBHSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000895705649 724265363 /nfs/dbraw/zinc/26/53/63/724265363.db2.gz DPWDWMGCCYJKEQ-SFHVURJKSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCCC[N@@H+](C)C(C)C)cc1 ZINC000895705649 724265365 /nfs/dbraw/zinc/26/53/65/724265365.db2.gz DPWDWMGCCYJKEQ-SFHVURJKSA-N 1 3 335.492 2.581 20 0 EFADHO CCOC(=O)c1ncc(CNCCC2CC[NH+](C(C)C)CC2)s1 ZINC000895764645 724304754 /nfs/dbraw/zinc/30/47/54/724304754.db2.gz ITNOQVHGNBJDHN-UHFFFAOYSA-N 1 3 339.505 2.920 20 0 EFADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000895821229 724332986 /nfs/dbraw/zinc/33/29/86/724332986.db2.gz DNLOIZGMYSCYJO-PKOBYXMFSA-N 1 3 346.519 2.838 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029675153 724367846 /nfs/dbraw/zinc/36/78/46/724367846.db2.gz LDZJHEWYTYCAGJ-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029675153 724367852 /nfs/dbraw/zinc/36/78/52/724367852.db2.gz LDZJHEWYTYCAGJ-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001029675962 724369660 /nfs/dbraw/zinc/36/96/60/724369660.db2.gz XYOFIVUJLBVIAI-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001029675962 724369663 /nfs/dbraw/zinc/36/96/63/724369663.db2.gz XYOFIVUJLBVIAI-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789125 724886712 /nfs/dbraw/zinc/88/67/12/724886712.db2.gz IHTSUDDSTXGOOH-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789125 724886715 /nfs/dbraw/zinc/88/67/15/724886715.db2.gz IHTSUDDSTXGOOH-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790142 724887020 /nfs/dbraw/zinc/88/70/20/724887020.db2.gz QGSZXQZFSRFXIO-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985790142 724887023 /nfs/dbraw/zinc/88/70/23/724887023.db2.gz QGSZXQZFSRFXIO-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c(C)s1 ZINC000985790765 724888122 /nfs/dbraw/zinc/88/81/22/724888122.db2.gz YGLWAHAXOMLZBM-UHFFFAOYSA-N 1 3 349.544 2.884 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c(C)s1 ZINC000985790765 724888124 /nfs/dbraw/zinc/88/81/24/724888124.db2.gz YGLWAHAXOMLZBM-UHFFFAOYSA-N 1 3 349.544 2.884 20 0 EFADHO C[N@H+]([C@H]1CCc2ccccc21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791932 724889313 /nfs/dbraw/zinc/88/93/13/724889313.db2.gz JUQFXKQBQWCMHO-FQEVSTJZSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@H]1CCc2ccccc21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791932 724889314 /nfs/dbraw/zinc/88/93/14/724889314.db2.gz JUQFXKQBQWCMHO-FQEVSTJZSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@H+](CCC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794094 724889488 /nfs/dbraw/zinc/88/94/88/724889488.db2.gz VJFFUTOGHNUXRT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CCC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794094 724889490 /nfs/dbraw/zinc/88/94/90/724889490.db2.gz VJFFUTOGHNUXRT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986939750 724962435 /nfs/dbraw/zinc/96/24/35/724962435.db2.gz OFGDXILJOWXUDV-WBVHZDCISA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942594 724963621 /nfs/dbraw/zinc/96/36/21/724963621.db2.gz UXPYHSNVNKYNDN-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001029875513 724974872 /nfs/dbraw/zinc/97/48/72/724974872.db2.gz LKUJWTKZDPNHCT-GOSISDBHSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC001029875513 724974874 /nfs/dbraw/zinc/97/48/74/724974874.db2.gz LKUJWTKZDPNHCT-GOSISDBHSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986943550 724978126 /nfs/dbraw/zinc/97/81/26/724978126.db2.gz XFTHODBFIDAZRB-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)C1 ZINC001029995500 724982745 /nfs/dbraw/zinc/98/27/45/724982745.db2.gz NBGDXGNGSOLERW-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)C1 ZINC001029995500 724982746 /nfs/dbraw/zinc/98/27/46/724982746.db2.gz NBGDXGNGSOLERW-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC001029996997 724986727 /nfs/dbraw/zinc/98/67/27/724986727.db2.gz XLESWYAWHIXFPL-INIZCTEOSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC001029996997 724986728 /nfs/dbraw/zinc/98/67/28/724986728.db2.gz XLESWYAWHIXFPL-INIZCTEOSA-N 1 3 345.478 2.542 20 0 EFADHO C[N@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029999519 724993506 /nfs/dbraw/zinc/99/35/06/724993506.db2.gz CAGFXDVMTYYUQR-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029999519 724993509 /nfs/dbraw/zinc/99/35/09/724993509.db2.gz CAGFXDVMTYYUQR-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@H+](CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001029999797 724994358 /nfs/dbraw/zinc/99/43/58/724994358.db2.gz LLJDAKNHDAXBBI-KURKYZTESA-N 1 3 344.503 2.559 20 0 EFADHO C[N@@H+](CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001029999797 724994359 /nfs/dbraw/zinc/99/43/59/724994359.db2.gz LLJDAKNHDAXBBI-KURKYZTESA-N 1 3 344.503 2.559 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CCC3)CC2)CC1 ZINC001030005796 725005476 /nfs/dbraw/zinc/00/54/76/725005476.db2.gz ZIQURQLUINXGNF-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CCC3)CC2)CC1 ZINC001030005796 725005480 /nfs/dbraw/zinc/00/54/80/725005480.db2.gz ZIQURQLUINXGNF-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008355 725459361 /nfs/dbraw/zinc/45/93/61/725459361.db2.gz BYUAVMKMJSYEMW-SBHAEUEKSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008355 725459365 /nfs/dbraw/zinc/45/93/65/725459365.db2.gz BYUAVMKMJSYEMW-SBHAEUEKSA-N 1 3 345.531 2.774 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014840 725464209 /nfs/dbraw/zinc/46/42/09/725464209.db2.gz SPWWXYUZDJONLI-QWFCFKBJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014840 725464212 /nfs/dbraw/zinc/46/42/12/725464212.db2.gz SPWWXYUZDJONLI-QWFCFKBJSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055774 725465530 /nfs/dbraw/zinc/46/55/30/725465530.db2.gz CWRAXZPIEHANGP-MGPUTAFESA-N 1 3 348.450 2.885 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987061278 725471521 /nfs/dbraw/zinc/47/15/21/725471521.db2.gz XYHVMSPBZNKDRQ-DNVCBOLYSA-N 1 3 340.471 2.855 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064500 725474475 /nfs/dbraw/zinc/47/44/75/725474475.db2.gz GAOOWNXTPLDIQQ-YWZLYKJASA-N 1 3 348.450 2.885 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987071265 725477094 /nfs/dbraw/zinc/47/70/94/725477094.db2.gz VWWWMYRNMFFGDO-BEFAXECRSA-N 1 3 340.471 2.855 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066626 725477525 /nfs/dbraw/zinc/47/75/25/725477525.db2.gz KUHSAMZCPLDCLO-PBHICJAKSA-N 1 3 332.492 2.748 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987071268 725477710 /nfs/dbraw/zinc/47/77/10/725477710.db2.gz VWWWMYRNMFFGDO-KXBFYZLASA-N 1 3 340.471 2.855 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066628 725477716 /nfs/dbraw/zinc/47/77/16/725477716.db2.gz KUHSAMZCPLDCLO-RHSMWYFYSA-N 1 3 332.492 2.748 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071554 725482971 /nfs/dbraw/zinc/48/29/71/725482971.db2.gz XGPCMWRPBGCVMS-CRAIPNDOSA-N 1 3 332.492 2.892 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987122007 725523316 /nfs/dbraw/zinc/52/33/16/725523316.db2.gz BJMGNMDBINVLDH-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992194171 725608112 /nfs/dbraw/zinc/60/81/12/725608112.db2.gz WQTSJGXYUVTWNK-ATZDWAIDSA-N 1 3 339.499 2.722 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992194171 725608114 /nfs/dbraw/zinc/60/81/14/725608114.db2.gz WQTSJGXYUVTWNK-ATZDWAIDSA-N 1 3 339.499 2.722 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992194173 725608354 /nfs/dbraw/zinc/60/83/54/725608354.db2.gz WQTSJGXYUVTWNK-AYOQOUSVSA-N 1 3 339.499 2.722 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992194173 725608355 /nfs/dbraw/zinc/60/83/55/725608355.db2.gz WQTSJGXYUVTWNK-AYOQOUSVSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000987251216 725611974 /nfs/dbraw/zinc/61/19/74/725611974.db2.gz ARJHNIQHXOIXPG-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252036 725612269 /nfs/dbraw/zinc/61/22/69/725612269.db2.gz DAWWILOEAFWSAP-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252782 725612727 /nfs/dbraw/zinc/61/27/27/725612727.db2.gz GVIPLSSTBNROTP-WMZOPIPTSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)cc1 ZINC000987254397 725613516 /nfs/dbraw/zinc/61/35/16/725613516.db2.gz KVBHQAKLQXEVKW-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987257417 725615682 /nfs/dbraw/zinc/61/56/82/725615682.db2.gz WRDAKFDNFAONBT-IEBWSBKVSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CN1CCCC1 ZINC000987526760 725735485 /nfs/dbraw/zinc/73/54/85/725735485.db2.gz RWNSVHBPPHAJAS-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CN1CCCC1 ZINC000987526756 725735604 /nfs/dbraw/zinc/73/56/04/725735604.db2.gz RWNSVHBPPHAJAS-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)s1 ZINC000987535786 725742419 /nfs/dbraw/zinc/74/24/19/725742419.db2.gz ZATAWXNEXGTDFD-RHSMWYFYSA-N 1 3 335.517 2.540 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426717 725802478 /nfs/dbraw/zinc/80/24/78/725802478.db2.gz KKWGAFDBXZDEDW-SZVBFZGTSA-N 1 3 347.528 2.703 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426717 725802480 /nfs/dbraw/zinc/80/24/80/725802480.db2.gz KKWGAFDBXZDEDW-SZVBFZGTSA-N 1 3 347.528 2.703 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816044 725874383 /nfs/dbraw/zinc/87/43/83/725874383.db2.gz YFUFSRDNDUMBBL-IRXDYDNUSA-N 1 3 326.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816044 725874385 /nfs/dbraw/zinc/87/43/85/725874385.db2.gz YFUFSRDNDUMBBL-IRXDYDNUSA-N 1 3 326.444 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@@H]2[N@H+](CC2CC2)CC3)c1 ZINC000992510261 725913644 /nfs/dbraw/zinc/91/36/44/725913644.db2.gz PHUPYHFVWLVOLP-FPOVZHCZSA-N 1 3 341.499 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC2CC2)CC3)c1 ZINC000992510261 725913646 /nfs/dbraw/zinc/91/36/46/725913646.db2.gz PHUPYHFVWLVOLP-FPOVZHCZSA-N 1 3 341.499 2.885 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2)N(C)C ZINC001040735024 725963289 /nfs/dbraw/zinc/96/32/89/725963289.db2.gz HFERHPUHXITLCA-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992814882 726257076 /nfs/dbraw/zinc/25/70/76/726257076.db2.gz JOSDYYXDQJDHGI-FGTMMUONSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]21 ZINC000992814900 726257082 /nfs/dbraw/zinc/25/70/82/726257082.db2.gz JOSDYYXDQJDHGI-OKZBNKHCSA-N 1 3 335.536 2.591 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@@H]3C2)C1 ZINC000992821583 726265623 /nfs/dbraw/zinc/26/56/23/726265623.db2.gz VWIHTSJSEBMVHU-IPMKNSEASA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@@H]3C2)CC1 ZINC000992864473 726303103 /nfs/dbraw/zinc/30/31/03/726303103.db2.gz SFCJZFQBZFDGJW-XUVXKRRUSA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCC4CC4)[C@@H]3C2)CC1 ZINC000992864475 726303149 /nfs/dbraw/zinc/30/31/49/726303149.db2.gz SFCJZFQBZFDGJW-ZCNNSNEGSA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729346653 726318730 /nfs/dbraw/zinc/31/87/30/726318730.db2.gz DNWCXXUJBAOYDH-UHFFFAOYSA-N 1 3 331.504 2.843 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992926726 726342670 /nfs/dbraw/zinc/34/26/70/726342670.db2.gz QGVONXJEDXFMMT-YZGWKJHDSA-N 1 3 343.515 2.987 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597153 726855443 /nfs/dbraw/zinc/85/54/43/726855443.db2.gz NHNNHHWPQOVHQW-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597153 726855445 /nfs/dbraw/zinc/85/54/45/726855445.db2.gz NHNNHHWPQOVHQW-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO COc1cccc2cc(C[NH2+]CCCCN3CCN(C)CC3)oc21 ZINC000915228968 726907278 /nfs/dbraw/zinc/90/72/78/726907278.db2.gz MVZAUALTNZXDSJ-UHFFFAOYSA-N 1 3 331.460 2.559 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309914161 727052714 /nfs/dbraw/zinc/05/27/14/727052714.db2.gz WWWDJHXDRXVSJY-OALUTQOASA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908145756 727102204 /nfs/dbraw/zinc/10/22/04/727102204.db2.gz IQSCYRRQKSIPNE-MAUKXSAKSA-N 1 3 340.471 2.990 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908191188 727127294 /nfs/dbraw/zinc/12/72/94/727127294.db2.gz RGGFYQDMXGFZLP-CRAIPNDOSA-N 1 3 340.471 2.990 20 0 EFADHO COc1ccc2c(CN3CCC(C[NH+](C)C)CC3)cc(=O)oc2c1 ZINC000732569648 727162391 /nfs/dbraw/zinc/16/23/91/727162391.db2.gz UAGWOKURAYMTEZ-UHFFFAOYSA-N 1 3 330.428 2.575 20 0 EFADHO C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000993928434 727554700 /nfs/dbraw/zinc/55/47/00/727554700.db2.gz NGQQNGAKZCGTCD-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000911952065 727624385 /nfs/dbraw/zinc/62/43/85/727624385.db2.gz LZZFEIXVAQCPRO-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000912811790 727747427 /nfs/dbraw/zinc/74/74/27/727747427.db2.gz NXXDYOXZNARHRX-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000913007645 727768380 /nfs/dbraw/zinc/76/83/80/727768380.db2.gz WJMNKLNLIVWLES-HNNXBMFYSA-N 1 3 328.460 2.753 20 0 EFADHO C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(NC3=NCCC3)cc2)C1 ZINC000913007645 727768382 /nfs/dbraw/zinc/76/83/82/727768382.db2.gz WJMNKLNLIVWLES-HNNXBMFYSA-N 1 3 328.460 2.753 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CC1CC1 ZINC000994486999 727769346 /nfs/dbraw/zinc/76/93/46/727769346.db2.gz NYNSVGFUBXGFDO-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CC1CC1 ZINC000994486999 727769348 /nfs/dbraw/zinc/76/93/48/727769348.db2.gz NYNSVGFUBXGFDO-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236788 727925500 /nfs/dbraw/zinc/92/55/00/727925500.db2.gz ARMKBQOZOSWTBD-SFHVURJKSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236788 727925504 /nfs/dbraw/zinc/92/55/04/727925504.db2.gz ARMKBQOZOSWTBD-SFHVURJKSA-N 1 3 331.504 2.987 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948244946 727958535 /nfs/dbraw/zinc/95/85/35/727958535.db2.gz LNHAABPXBWBWDQ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948244946 727958540 /nfs/dbraw/zinc/95/85/40/727958540.db2.gz LNHAABPXBWBWDQ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948246645 727985998 /nfs/dbraw/zinc/98/59/98/727985998.db2.gz ZHDQOWVUXJORDI-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948246645 727986000 /nfs/dbraw/zinc/98/60/00/727986000.db2.gz ZHDQOWVUXJORDI-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166338627 728102459 /nfs/dbraw/zinc/10/24/59/728102459.db2.gz JQTMCSJQIPKYGQ-GVDBMIGSSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166338627 728102463 /nfs/dbraw/zinc/10/24/63/728102463.db2.gz JQTMCSJQIPKYGQ-GVDBMIGSSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040948393 728307006 /nfs/dbraw/zinc/30/70/06/728307006.db2.gz PYYVVNKKIPCHQG-CALCHBBNSA-N 1 3 333.520 2.584 20 0 EFADHO c1nc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)cs1 ZINC000060526685 728377084 /nfs/dbraw/zinc/37/70/84/728377084.db2.gz XNVJLXMLFNVBCZ-UHFFFAOYSA-N 1 3 344.528 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CC3)C2)c1 ZINC000995228187 728406356 /nfs/dbraw/zinc/40/63/56/728406356.db2.gz HLQROMHVNUOZOO-VQIMIIECSA-N 1 3 329.488 2.646 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC000995233753 728422132 /nfs/dbraw/zinc/42/21/32/728422132.db2.gz QESPYWAPODHJAY-FUHWJXTLSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@H](C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000229841797 728538818 /nfs/dbraw/zinc/53/88/18/728538818.db2.gz QZGMPYMABJBTDX-QQFBHYJXSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833625 728538839 /nfs/dbraw/zinc/53/88/39/728538839.db2.gz ZCNFQQGPBBBRKE-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925474438 729111162 /nfs/dbraw/zinc/11/11/62/729111162.db2.gz JKLHOUBNPWSLBG-BMFZPTHFSA-N 1 3 333.442 2.629 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000939800136 729125881 /nfs/dbraw/zinc/12/58/81/729125881.db2.gz FTYWIRRGMZPAFK-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001031665602 729199098 /nfs/dbraw/zinc/19/90/98/729199098.db2.gz BGYHXJDTJBBALU-LJQANCHMSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031665785 729199906 /nfs/dbraw/zinc/19/99/06/729199906.db2.gz HHMPGWCQVXPCOA-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031665744 729200016 /nfs/dbraw/zinc/20/00/16/729200016.db2.gz GGZAZVMKLMLXFP-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001031711614 729492104 /nfs/dbraw/zinc/49/21/04/729492104.db2.gz JBIWWDZHLWXQJQ-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001031711614 729492105 /nfs/dbraw/zinc/49/21/05/729492105.db2.gz JBIWWDZHLWXQJQ-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CCCN1CCCC1 ZINC000180016668 729672562 /nfs/dbraw/zinc/67/25/62/729672562.db2.gz JVFUYRRXJZNRDI-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550423628 1126206704 /nfs/dbraw/zinc/20/67/04/1126206704.db2.gz PQFPKPXXKIFVHO-FZCLSBEQSA-N 1 3 337.533 2.665 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550423628 1126206708 /nfs/dbraw/zinc/20/67/08/1126206708.db2.gz PQFPKPXXKIFVHO-FZCLSBEQSA-N 1 3 337.533 2.665 20 0 EFADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1cccc2ccccc21 ZINC001571406523 1086791620 /nfs/dbraw/zinc/79/16/20/1086791620.db2.gz DQDRWTBITLHDQK-HNNXBMFYSA-N 1 3 336.439 2.742 20 0 EFADHO Brc1ccc(C2CC([NH2+]C[C@H]3CNCCCO3)C2)cc1 ZINC001574447927 1088005196 /nfs/dbraw/zinc/00/51/96/1088005196.db2.gz IRVIGCNLSHXGDJ-AVVWSFFYSA-N 1 3 339.277 2.663 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)c2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC001646736990 1088190790 /nfs/dbraw/zinc/19/07/90/1088190790.db2.gz ANKHDMNMRZLUHD-LJQANCHMSA-N 1 3 325.456 2.529 20 0 EFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001646746555 1088205894 /nfs/dbraw/zinc/20/58/94/1088205894.db2.gz BAIZZWVJNPWWQQ-MRXNPFEDSA-N 1 3 341.446 2.619 20 0 EFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC001575124877 1088254018 /nfs/dbraw/zinc/25/40/18/1088254018.db2.gz GUXWVHOUMHMWNY-DLBZAZTESA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H](CCNC2CC([NH3+])C2)c2ccccc21 ZINC001575169019 1088283912 /nfs/dbraw/zinc/28/39/12/1088283912.db2.gz FQKODKRJSYCUSJ-NFOMZHRRSA-N 1 3 331.460 2.995 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H](CC[NH2+]C2CC(N)C2)c2ccccc21 ZINC001575169019 1088283923 /nfs/dbraw/zinc/28/39/23/1088283923.db2.gz FQKODKRJSYCUSJ-NFOMZHRRSA-N 1 3 331.460 2.995 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(C[NH2+]CC3(CN)CCC3)CCC[C@@H]12 ZINC001575197531 1088304992 /nfs/dbraw/zinc/30/49/92/1088304992.db2.gz BNUSEUWFDDIMDY-DNVCBOLYSA-N 1 3 337.508 2.885 20 0 EFADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CC[C@@H](N)Cc1ccccc1 ZINC001575334716 1088396099 /nfs/dbraw/zinc/39/60/99/1088396099.db2.gz PGMOWLSOEGITGG-MRXNPFEDSA-N 1 3 335.492 2.839 20 0 EFADHO CC(C)(C)OC(=O)NC(C)(C)CNCC[C@@H]([NH3+])Cc1ccccc1 ZINC001575334716 1088396117 /nfs/dbraw/zinc/39/61/17/1088396117.db2.gz PGMOWLSOEGITGG-MRXNPFEDSA-N 1 3 335.492 2.839 20 0 EFADHO CC(C)([NH3+])c1cc(CNC[C@@H]2CCN(c3ccccc3F)C2)on1 ZINC001575366381 1088415209 /nfs/dbraw/zinc/41/52/09/1088415209.db2.gz WSVOZKPDKSLFEX-ZDUSSCGKSA-N 1 3 332.423 2.624 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC001575423487 1088459164 /nfs/dbraw/zinc/45/91/64/1088459164.db2.gz VHDOPWASEIONJB-LMMKCTJWSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@H]1C ZINC001575423487 1088459173 /nfs/dbraw/zinc/45/91/73/1088459173.db2.gz VHDOPWASEIONJB-LMMKCTJWSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC12CCN([C@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC001575521284 1088529072 /nfs/dbraw/zinc/52/90/72/1088529072.db2.gz CCTILKQHGIRKDT-OALUTQOASA-N 1 3 341.499 2.892 20 0 EFADHO CC(C)[C@H]1[NH2+]CC12CCN([C@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC001575521286 1088530002 /nfs/dbraw/zinc/53/00/02/1088530002.db2.gz CCTILKQHGIRKDT-RBUKOAKNSA-N 1 3 341.499 2.892 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001575534245 1088540465 /nfs/dbraw/zinc/54/04/65/1088540465.db2.gz GPUIPXZWXBKYAY-ILZDJORESA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001575649163 1088610182 /nfs/dbraw/zinc/61/01/82/1088610182.db2.gz UQCUEHJBBUWXQE-RBUKOAKNSA-N 1 3 333.520 2.977 20 0 EFADHO CC(C)N(C(=O)CC1(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001575682030 1088629088 /nfs/dbraw/zinc/62/90/88/1088629088.db2.gz XJEXYXFTWDDJHT-SFHVURJKSA-N 1 3 329.488 2.627 20 0 EFADHO CC(C)N(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001575682028 1088629193 /nfs/dbraw/zinc/62/91/93/1088629193.db2.gz XJEXYXFTWDDJHT-GOSISDBHSA-N 1 3 329.488 2.627 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC001575700582 1088643399 /nfs/dbraw/zinc/64/33/99/1088643399.db2.gz RNPPKBRUDXXEJO-GOSISDBHSA-N 1 3 342.487 2.593 20 0 EFADHO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(N)CCOCC1 ZINC001576040651 1088872282 /nfs/dbraw/zinc/87/22/82/1088872282.db2.gz KQULLJGZNPLSAR-LLVKDONJSA-N 1 3 333.259 2.858 20 0 EFADHO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(-n2cc(CN)nn2)c1 ZINC001576051490 1088884111 /nfs/dbraw/zinc/88/41/11/1088884111.db2.gz CGGGRVUWODCRFI-AWEZNQCLSA-N 1 3 339.418 2.586 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576117193 1088943340 /nfs/dbraw/zinc/94/33/40/1088943340.db2.gz JKJWHYXXYXUECZ-QFBILLFUSA-N 1 3 329.488 2.872 20 0 EFADHO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H](c1ccccc1)N(C)C ZINC001576187194 1088988969 /nfs/dbraw/zinc/98/89/69/1088988969.db2.gz YZJNXEOUROLODN-KHOKOTLYSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC001576197528 1088995462 /nfs/dbraw/zinc/99/54/62/1088995462.db2.gz BFSGELNTRXCTFJ-LRQRDZAKSA-N 1 3 339.483 2.754 20 0 EFADHO C[NH2+][C@@H](C)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001647227901 1089132298 /nfs/dbraw/zinc/13/22/98/1089132298.db2.gz GEZFICOHRDZRKA-AOCRQIFASA-N 1 3 338.540 2.526 20 0 EFADHO C[NH2+][C@H](C)CCNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001647227904 1089132866 /nfs/dbraw/zinc/13/28/66/1089132866.db2.gz GEZFICOHRDZRKA-WWDZGPRUSA-N 1 3 338.540 2.526 20 0 EFADHO [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC001647247714 1089161907 /nfs/dbraw/zinc/16/19/07/1089161907.db2.gz BAPCXJRUBJMVBK-RTBURBONSA-N 1 3 329.488 2.847 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001576479847 1089285317 /nfs/dbraw/zinc/28/53/17/1089285317.db2.gz HCKGIGNLGRGMHV-ROUUACIJSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]CC2(CN)CCC2)CC1 ZINC001576520055 1089303112 /nfs/dbraw/zinc/30/31/12/1089303112.db2.gz WVLCKWZKMDWWEL-UHFFFAOYSA-N 1 3 325.497 2.742 20 0 EFADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600025 1089348936 /nfs/dbraw/zinc/34/89/36/1089348936.db2.gz XJKCZHHSBIACFC-PMPSAXMXSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600025 1089348946 /nfs/dbraw/zinc/34/89/46/1089348946.db2.gz XJKCZHHSBIACFC-PMPSAXMXSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600023 1089349353 /nfs/dbraw/zinc/34/93/53/1089349353.db2.gz XJKCZHHSBIACFC-OWCLPIDISA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CN)C2)CCN1C(=O)OC(C)(C)C ZINC001576600023 1089349362 /nfs/dbraw/zinc/34/93/62/1089349362.db2.gz XJKCZHHSBIACFC-OWCLPIDISA-N 1 3 325.497 2.693 20 0 EFADHO C[C@H]1CC[C@@H](NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C[NH2+]1 ZINC001576671064 1089387619 /nfs/dbraw/zinc/38/76/19/1089387619.db2.gz PVSNCJGOPMECOX-WFXMFSGNSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001576671295 1089387917 /nfs/dbraw/zinc/38/79/17/1089387917.db2.gz XFMAPJROIDVUJF-RKVPGOIHSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1CCCN(C[C@@]23C[C@@H]2C[NH2+]C3)[C@H]1CCNC(=O)OC(C)(C)C ZINC001576704484 1089408077 /nfs/dbraw/zinc/40/80/77/1089408077.db2.gz MVZXIJQRSUMSHE-JEWRLFTDSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]CCCNC1CC1 ZINC001576724810 1089421606 /nfs/dbraw/zinc/42/16/06/1089421606.db2.gz QIWYJHCEJRIPTD-IIAWOOMASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NCCC[NH2+]C1CC1 ZINC001576724810 1089421616 /nfs/dbraw/zinc/42/16/16/1089421616.db2.gz QIWYJHCEJRIPTD-IIAWOOMASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001576880307 1089506274 /nfs/dbraw/zinc/50/62/74/1089506274.db2.gz QMTFZTTUIUXINO-NBOOPKSLSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@H]1CN[C@@H](C)[C@H](C)N1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001576880307 1089506288 /nfs/dbraw/zinc/50/62/88/1089506288.db2.gz QMTFZTTUIUXINO-NBOOPKSLSA-N 1 3 347.478 2.635 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC001647558548 1089542610 /nfs/dbraw/zinc/54/26/10/1089542610.db2.gz HMILDPQDDWDGGR-FXAWDEMLSA-N 1 3 342.483 2.901 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001576970867 1089551874 /nfs/dbraw/zinc/55/18/74/1089551874.db2.gz MNGKYFNBOYGEKV-OXQOHEQNSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001576970867 1089551890 /nfs/dbraw/zinc/55/18/90/1089551890.db2.gz MNGKYFNBOYGEKV-OXQOHEQNSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)CC[C@H]1[NH3+] ZINC001577280119 1089794394 /nfs/dbraw/zinc/79/43/94/1089794394.db2.gz XSXVHVHRNZTBAE-PKOBYXMFSA-N 1 3 329.488 2.872 20 0 EFADHO CCCN(C(=O)NCCCCCC1CC[NH2+]CC1)[C@H]1CCN(C)C1 ZINC001577488931 1090003102 /nfs/dbraw/zinc/00/31/02/1090003102.db2.gz NRUHVLXIQQQJKA-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CCC[N@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCNCC1 ZINC001577504543 1090016501 /nfs/dbraw/zinc/01/65/01/1090016501.db2.gz WMKUWCMMOXHCEP-CYBMUJFWSA-N 1 3 349.466 2.999 20 0 EFADHO CCC[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCNCC1 ZINC001577504543 1090016515 /nfs/dbraw/zinc/01/65/15/1090016515.db2.gz WMKUWCMMOXHCEP-CYBMUJFWSA-N 1 3 349.466 2.999 20 0 EFADHO CCCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001577516651 1090029214 /nfs/dbraw/zinc/02/92/14/1090029214.db2.gz ZMVDVYUQMGHIOB-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)C1CCNCC1 ZINC001577518837 1090031276 /nfs/dbraw/zinc/03/12/76/1090031276.db2.gz ANBFRDNETIPFDR-QGZVFWFLSA-N 1 3 333.501 2.954 20 0 EFADHO CCC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)C1CCNCC1 ZINC001577518837 1090031288 /nfs/dbraw/zinc/03/12/88/1090031288.db2.gz ANBFRDNETIPFDR-QGZVFWFLSA-N 1 3 333.501 2.954 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@H]2C[C@@H]([NH3+])C2(C)C)cc1OC ZINC001577579794 1090060056 /nfs/dbraw/zinc/06/00/56/1090060056.db2.gz GRQBGWSSGASQOY-SJORKVTESA-N 1 3 336.476 2.751 20 0 EFADHO CCN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577631389 1090090143 /nfs/dbraw/zinc/09/01/43/1090090143.db2.gz GYNUMQOVLZYSMZ-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC001577681375 1090123234 /nfs/dbraw/zinc/12/32/34/1090123234.db2.gz SVUMHPIXTLNZDT-OTWHNJEPSA-N 1 3 347.503 2.712 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC001577681374 1090123382 /nfs/dbraw/zinc/12/33/82/1090123382.db2.gz SVUMHPIXTLNZDT-IPMKNSEASA-N 1 3 347.503 2.712 20 0 EFADHO CCN1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C(C)(C)C1 ZINC001577759014 1090171718 /nfs/dbraw/zinc/17/17/18/1090171718.db2.gz DLYRQRVFJIROJD-LJQANCHMSA-N 1 3 343.515 2.689 20 0 EFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001578229519 1090314711 /nfs/dbraw/zinc/31/47/11/1090314711.db2.gz LUHPQBVEQBRSNM-QGTPRVQTSA-N 1 3 335.492 2.566 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)c2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC001578253806 1090318824 /nfs/dbraw/zinc/31/88/24/1090318824.db2.gz MTQWIFBDYLVRAB-HXUWFJFHSA-N 1 3 339.483 2.783 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001578417110 1090367187 /nfs/dbraw/zinc/36/71/87/1090367187.db2.gz NWFRGKCIQUWDRB-MRXNPFEDSA-N 1 3 341.446 2.619 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001578418632 1090367295 /nfs/dbraw/zinc/36/72/95/1090367295.db2.gz MNXGXZGAKVUJFM-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001578525286 1090392083 /nfs/dbraw/zinc/39/20/83/1090392083.db2.gz UQSFFTVEIRUPTQ-ZWKOTPCHSA-N 1 3 329.488 2.627 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001578528915 1090392592 /nfs/dbraw/zinc/39/25/92/1090392592.db2.gz NLDRQTDDNBGHIB-INIZCTEOSA-N 1 3 338.540 2.513 20 0 EFADHO COC(=O)c1cccc(OCCN2CCCC[C@@H]2C2(C[NH3+])CCC2)c1 ZINC001578877763 1090462145 /nfs/dbraw/zinc/46/21/45/1090462145.db2.gz KMFLOTAJNVOBAP-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO COc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001579134859 1090522576 /nfs/dbraw/zinc/52/25/76/1090522576.db2.gz QMBFFYMLQKQOBK-LBPRGKRZSA-N 1 3 331.243 2.613 20 0 EFADHO COc1cc(CN(C)C)ccc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC001579150386 1090527961 /nfs/dbraw/zinc/52/79/61/1090527961.db2.gz IZZXCSZASUQDKQ-CQSZACIVSA-N 1 3 333.476 2.721 20 0 EFADHO COc1cc(C[NH2+]C[C@H]2CCC[NH2+]CC2)cc(Br)c1[O-] ZINC001579153200 1090528624 /nfs/dbraw/zinc/52/86/24/1090528624.db2.gz SRSANNNHFIBQTG-NSHDSACASA-N 1 3 343.265 2.643 20 0 EFADHO COc1ccccc1-c1noc([C@H](C)NC[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001579296469 1090583692 /nfs/dbraw/zinc/58/36/92/1090583692.db2.gz AFQKTPBDHOQIBW-MELADBBJSA-N 1 3 330.432 2.784 20 0 EFADHO CSc1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001579387864 1090602307 /nfs/dbraw/zinc/60/23/07/1090602307.db2.gz OUMODAQNKJJPRX-IRXDYDNUSA-N 1 3 335.517 2.660 20 0 EFADHO CSc1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001579387865 1090602380 /nfs/dbraw/zinc/60/23/80/1090602380.db2.gz OUMODAQNKJJPRX-SJORKVTESA-N 1 3 335.517 2.660 20 0 EFADHO Cc1cc(NC(=O)c2ccc3c(c2)CNC3)ccc1OCC[NH+](C)C ZINC001579634842 1090647923 /nfs/dbraw/zinc/64/79/23/1090647923.db2.gz HGBCNDDNZNFTGA-UHFFFAOYSA-N 1 3 339.439 2.791 20 0 EFADHO Cc1ccc(CN(CCCC(C)C)C[C@H]2CC3(C[NH2+]C3)C(=O)O2)o1 ZINC001579690810 1090663271 /nfs/dbraw/zinc/66/32/71/1090663271.db2.gz CLECQSFWKGATFY-QGZVFWFLSA-N 1 3 334.460 2.731 20 0 EFADHO Cc1ccc(N2CCC[C@H](NCc3ccc4c(c3)C[NH2+]CC4)C2=O)cc1 ZINC001579714730 1090669250 /nfs/dbraw/zinc/66/92/50/1090669250.db2.gz GQYAWPXYEIGQKY-NRFANRHFSA-N 1 3 349.478 2.926 20 0 EFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC2(CC[NH2+]CC2)CC1 ZINC001579797779 1090689888 /nfs/dbraw/zinc/68/98/88/1090689888.db2.gz SVZVLUCLGJMDGN-SFHVURJKSA-N 1 3 343.515 2.508 20 0 EFADHO Clc1ccc(Br)cc1CNC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001579938058 1090727704 /nfs/dbraw/zinc/72/77/04/1090727704.db2.gz MRDGUBJUVRIVOT-LBPRGKRZSA-N 1 3 345.668 2.713 20 0 EFADHO Cn1nc(C(F)(F)F)c(CNC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC001579989622 1090738696 /nfs/dbraw/zinc/73/86/96/1090738696.db2.gz KKFQWNSHHSNUDH-ILWJIGKKSA-N 1 3 336.789 2.713 20 0 EFADHO FC(F)(F)COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC001580018972 1090744055 /nfs/dbraw/zinc/74/40/55/1090744055.db2.gz PUZXPYZHUXATPX-OAHLLOKOSA-N 1 3 343.393 2.844 20 0 EFADHO FC(F)c1ccc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC001580024008 1090745095 /nfs/dbraw/zinc/74/50/95/1090745095.db2.gz MXNHNTMJACKLJQ-OAHLLOKOSA-N 1 3 325.403 2.610 20 0 EFADHO [NH3+]C1(CCN2CCC(N3CCc4cc(F)ccc43)CC2)CCOCC1 ZINC001580144304 1090788682 /nfs/dbraw/zinc/78/86/82/1090788682.db2.gz NJXNRXADSDQLCX-UHFFFAOYSA-N 1 3 347.478 2.551 20 0 EFADHO NC1(C[NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC001580152717 1090790881 /nfs/dbraw/zinc/79/08/81/1090790881.db2.gz QUKAEPZDHZEHHS-UHFFFAOYSA-N 1 3 334.055 2.793 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NCc2ccc(OCCn3ccnc3)c(Cl)c2)C1 ZINC001580176709 1090801256 /nfs/dbraw/zinc/80/12/56/1090801256.db2.gz QUZHOFFSOZBVCE-HZPDHXFCSA-N 1 3 348.878 2.975 20 0 EFADHO NCC1(C[NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CCC1 ZINC001580243789 1090827558 /nfs/dbraw/zinc/82/75/58/1090827558.db2.gz LTHJVSMBXVHRFS-UHFFFAOYSA-N 1 3 342.405 2.730 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC001580261896 1090839517 /nfs/dbraw/zinc/83/95/17/1090839517.db2.gz MOYHHTGATHZSIW-WDSOQIARSA-N 1 3 329.488 2.677 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC001580261896 1090839525 /nfs/dbraw/zinc/83/95/25/1090839525.db2.gz MOYHHTGATHZSIW-WDSOQIARSA-N 1 3 329.488 2.677 20 0 EFADHO O=C(N[C@H]1CCCCCN(Cc2ccccc2)C1)C1(F)CC[NH2+]CC1 ZINC001580607008 1090965093 /nfs/dbraw/zinc/96/50/93/1090965093.db2.gz HPLKCPRTBPDJOX-SFHVURJKSA-N 1 3 347.478 2.639 20 0 EFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580654378 1090977654 /nfs/dbraw/zinc/97/76/54/1090977654.db2.gz IRGBJTQGJOTCSY-OALUTQOASA-N 1 3 341.499 2.547 20 0 EFADHO O=C1Nc2ccccc2S[C@@H]1CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001580853385 1091027387 /nfs/dbraw/zinc/02/73/87/1091027387.db2.gz HVFGNIGJVSMMQW-UWWQBHOKSA-N 1 3 345.512 2.954 20 0 EFADHO c1cnn(Cc2ccccc2CNCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001580892668 1091037624 /nfs/dbraw/zinc/03/76/24/1091037624.db2.gz BICMXGOUCIORLK-UHFFFAOYSA-N 1 3 332.451 2.867 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001480913148 1092387592 /nfs/dbraw/zinc/38/75/92/1092387592.db2.gz JYTVVNOJKCHCPV-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCCc3ccc(F)cc32)C1 ZINC001480913148 1092387601 /nfs/dbraw/zinc/38/76/01/1092387601.db2.gz JYTVVNOJKCHCPV-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1N1CCN(C)CC1 ZINC001649838310 1092728665 /nfs/dbraw/zinc/72/86/65/1092728665.db2.gz HBAKTUYQERNINW-ICSRJNTNSA-N 1 3 344.547 2.839 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448494 1092763899 /nfs/dbraw/zinc/76/38/99/1092763899.db2.gz ZKSLNNYLCSWSBC-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448494 1092763905 /nfs/dbraw/zinc/76/39/05/1092763905.db2.gz ZKSLNNYLCSWSBC-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001671367906 1092821318 /nfs/dbraw/zinc/82/13/18/1092821318.db2.gz AIULIVOOKVLNLX-WOJBJXKFSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001480921511 1093028431 /nfs/dbraw/zinc/02/84/31/1093028431.db2.gz PBWDBUUJLUJBIK-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1F ZINC001167626786 1093145711 /nfs/dbraw/zinc/14/57/11/1093145711.db2.gz HHRNYHSDHDJICW-IBGZPJMESA-N 1 3 349.494 2.727 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001167626915 1093148479 /nfs/dbraw/zinc/14/84/79/1093148479.db2.gz HORMPWRCMOLZKX-SFHVURJKSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)cs1 ZINC001167628077 1093148493 /nfs/dbraw/zinc/14/84/93/1093148493.db2.gz WBIGQDNFZSQNQL-QGZVFWFLSA-N 1 3 337.533 2.915 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)c(C)n1 ZINC001167627879 1093148683 /nfs/dbraw/zinc/14/86/83/1093148683.db2.gz TUHHTXKQFXBYGV-LJQANCHMSA-N 1 3 346.519 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627067 1093149300 /nfs/dbraw/zinc/14/93/00/1093149300.db2.gz JYZKBPKFWUTDSU-IBGZPJMESA-N 1 3 349.494 2.993 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001167627202 1093149587 /nfs/dbraw/zinc/14/95/87/1093149587.db2.gz LWOGWBKPNPRICQ-LJQANCHMSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001167633202 1093164416 /nfs/dbraw/zinc/16/44/16/1093164416.db2.gz AIAMHIDSIPIGMV-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO [NH3+]CCc1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC001650335233 1093164793 /nfs/dbraw/zinc/16/47/93/1093164793.db2.gz OCHNNOCSHKLGEB-HXUWFJFHSA-N 1 3 337.467 2.755 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589962314 1093199017 /nfs/dbraw/zinc/19/90/17/1093199017.db2.gz SACWYPGOMGYASW-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589962314 1093199022 /nfs/dbraw/zinc/19/90/22/1093199022.db2.gz SACWYPGOMGYASW-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589962314 1093199026 /nfs/dbraw/zinc/19/90/26/1093199026.db2.gz SACWYPGOMGYASW-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589962314 1093199030 /nfs/dbraw/zinc/19/90/30/1093199030.db2.gz SACWYPGOMGYASW-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590464774 1093434213 /nfs/dbraw/zinc/43/42/13/1093434213.db2.gz DTIHNDXUWQPQRO-GOSISDBHSA-N 1 3 340.475 2.782 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590464774 1093434219 /nfs/dbraw/zinc/43/42/19/1093434219.db2.gz DTIHNDXUWQPQRO-GOSISDBHSA-N 1 3 340.475 2.782 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465753 1093436653 /nfs/dbraw/zinc/43/66/53/1093436653.db2.gz IKIOHSKQWQFECO-YOEHRIQHSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465753 1093436655 /nfs/dbraw/zinc/43/66/55/1093436655.db2.gz IKIOHSKQWQFECO-YOEHRIQHSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465753 1093436658 /nfs/dbraw/zinc/43/66/58/1093436658.db2.gz IKIOHSKQWQFECO-YOEHRIQHSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465753 1093436659 /nfs/dbraw/zinc/43/66/59/1093436659.db2.gz IKIOHSKQWQFECO-YOEHRIQHSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590470103 1093441728 /nfs/dbraw/zinc/44/17/28/1093441728.db2.gz OCDBORMHEDWECD-CKEIUWERSA-N 1 3 328.464 2.673 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590470103 1093441737 /nfs/dbraw/zinc/44/17/37/1093441737.db2.gz OCDBORMHEDWECD-CKEIUWERSA-N 1 3 328.464 2.673 20 0 EFADHO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590468773 1093442016 /nfs/dbraw/zinc/44/20/16/1093442016.db2.gz YEUKZRYTDPBYNI-JCYILVPMSA-N 1 3 328.464 2.780 20 0 EFADHO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590468773 1093442022 /nfs/dbraw/zinc/44/20/22/1093442022.db2.gz YEUKZRYTDPBYNI-JCYILVPMSA-N 1 3 328.464 2.780 20 0 EFADHO CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC1CC[NH+](CC)CC1 ZINC001590631712 1093525570 /nfs/dbraw/zinc/52/55/70/1093525570.db2.gz YHNWCOMXUZDULG-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCC[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)CC1CC[NH+](CC)CC1 ZINC001590631712 1093525576 /nfs/dbraw/zinc/52/55/76/1093525576.db2.gz YHNWCOMXUZDULG-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCC[N@@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CC[NH+](CC)CC1 ZINC001590631712 1093525586 /nfs/dbraw/zinc/52/55/86/1093525586.db2.gz YHNWCOMXUZDULG-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCC[N@H+](Cc1ccc(-c2nn[n-]n2)cc1)CC1CC[NH+](CC)CC1 ZINC001590631712 1093525594 /nfs/dbraw/zinc/52/55/94/1093525594.db2.gz YHNWCOMXUZDULG-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590686932 1093547328 /nfs/dbraw/zinc/54/73/28/1093547328.db2.gz OXBXWQBJNZJIFD-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590686932 1093547331 /nfs/dbraw/zinc/54/73/31/1093547331.db2.gz OXBXWQBJNZJIFD-OAHLLOKOSA-N 1 3 342.491 2.982 20 0 EFADHO Fc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1-c1nnn[n-]1 ZINC001592639582 1094154919 /nfs/dbraw/zinc/15/49/19/1094154919.db2.gz CYEOVKGENZRGBM-UHFFFAOYSA-N 1 3 346.454 2.752 20 0 EFADHO Fc1cc(C[NH2+]CCCCC[NH+]2CCCCC2)ccc1-c1nn[n-]n1 ZINC001592639582 1094154924 /nfs/dbraw/zinc/15/49/24/1094154924.db2.gz CYEOVKGENZRGBM-UHFFFAOYSA-N 1 3 346.454 2.752 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)CCC1 ZINC001481096504 1094475068 /nfs/dbraw/zinc/47/50/68/1094475068.db2.gz VRPKVXUJBKGWLU-IUYMFKLXSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CCC1 ZINC001481096504 1094475070 /nfs/dbraw/zinc/47/50/70/1094475070.db2.gz VRPKVXUJBKGWLU-IUYMFKLXSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001104641319 1094513712 /nfs/dbraw/zinc/51/37/12/1094513712.db2.gz LKWXXUYNCZNHPB-MISYRCLQSA-N 1 3 345.531 2.847 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001267459468 1094573055 /nfs/dbraw/zinc/57/30/55/1094573055.db2.gz UVRJIDKTFXUBKZ-QGZVFWFLSA-N 1 3 339.911 2.517 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001481108327 1094585685 /nfs/dbraw/zinc/58/56/85/1094585685.db2.gz USNNRQDNSAFDOY-HNNXBMFYSA-N 1 3 349.906 2.620 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676825 1094591375 /nfs/dbraw/zinc/59/13/75/1094591375.db2.gz ZNMUBPKCQFAYFR-RTLRUIJZSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C2)C1 ZINC001104679076 1094602135 /nfs/dbraw/zinc/60/21/35/1094602135.db2.gz DYONTVFCWLXCSD-RCCFBDPRSA-N 1 3 341.515 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCCC3CCC3)C2)C1 ZINC001104680880 1094608315 /nfs/dbraw/zinc/60/83/15/1094608315.db2.gz YBDCSJZIPCVOBC-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CCCC3)C2)C1 ZINC001104682058 1094616294 /nfs/dbraw/zinc/61/62/94/1094616294.db2.gz YUDIEPPGUPPJGC-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001480949918 1094745711 /nfs/dbraw/zinc/74/57/11/1094745711.db2.gz AZQBDMUDEFOZHC-UHFFFAOYSA-N 1 3 331.504 2.673 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529933 1094765697 /nfs/dbraw/zinc/76/56/97/1094765697.db2.gz VXNLTMYNUSYXCL-XQMISQMHSA-N 1 3 347.547 2.903 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481120875 1094783131 /nfs/dbraw/zinc/78/31/31/1094783131.db2.gz NFTGWPRTQRTQOV-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481120875 1094783144 /nfs/dbraw/zinc/78/31/44/1094783144.db2.gz NFTGWPRTQRTQOV-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530249 1094874137 /nfs/dbraw/zinc/87/41/37/1094874137.db2.gz LHINIEWNVLHYBN-RXVVDRJESA-N 1 3 347.547 2.903 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(F)ccc1C ZINC001481147624 1094977073 /nfs/dbraw/zinc/97/70/73/1094977073.db2.gz HHWVSIHPCUGVQJ-MRXNPFEDSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(F)ccc1C ZINC001481147624 1094977079 /nfs/dbraw/zinc/97/70/79/1094977079.db2.gz HHWVSIHPCUGVQJ-MRXNPFEDSA-N 1 3 349.494 2.804 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481509479 1095005934 /nfs/dbraw/zinc/00/59/34/1095005934.db2.gz QJIVHSQXZRSXBL-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001211695024 1095032283 /nfs/dbraw/zinc/03/22/83/1095032283.db2.gz GKQUOMZKCWVYRZ-NZSAHSFTSA-N 1 3 349.494 2.661 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@@H]2CCC[N@H+](CCF)[C@@H]21 ZINC001087295724 1095055832 /nfs/dbraw/zinc/05/58/32/1095055832.db2.gz NECTVHGTEQYNCX-BBWFWOEESA-N 1 3 344.434 2.523 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@@H]2CCC[N@@H+](CCF)[C@@H]21 ZINC001087295724 1095055847 /nfs/dbraw/zinc/05/58/47/1095055847.db2.gz NECTVHGTEQYNCX-BBWFWOEESA-N 1 3 344.434 2.523 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001112531638 1095089690 /nfs/dbraw/zinc/08/96/90/1095089690.db2.gz JARCGAWNXZGXBQ-RXVVDRJESA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001167815387 1095102390 /nfs/dbraw/zinc/10/23/90/1095102390.db2.gz SQSXKUXMOXCAQP-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC2)C1)CC(C)(C)C ZINC001112531827 1095105964 /nfs/dbraw/zinc/10/59/64/1095105964.db2.gz SMQPNCZECAEACU-PXNSSMCTSA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC001481193830 1095235866 /nfs/dbraw/zinc/23/58/66/1095235866.db2.gz KDBHEBNCAIXTQN-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC001481193830 1095235879 /nfs/dbraw/zinc/23/58/79/1095235879.db2.gz KDBHEBNCAIXTQN-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCC3)[C@@H]2C1(C)C ZINC001087316226 1095296734 /nfs/dbraw/zinc/29/67/34/1095296734.db2.gz PBOYIELQVKNSNJ-IPELMVKDSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C1(C)C ZINC001087316226 1095296744 /nfs/dbraw/zinc/29/67/44/1095296744.db2.gz PBOYIELQVKNSNJ-IPELMVKDSA-N 1 3 344.503 2.666 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001167836027 1095336839 /nfs/dbraw/zinc/33/68/39/1095336839.db2.gz OKRPSUHBQVXBNW-HNNXBMFYSA-N 1 3 345.478 2.640 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)c1cccc(F)c1 ZINC001480997694 1095714992 /nfs/dbraw/zinc/71/49/92/1095714992.db2.gz AJKKABNFEJLRMQ-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)ccc1C ZINC001481000222 1095724732 /nfs/dbraw/zinc/72/47/32/1095724732.db2.gz RVQOTTJVXPETRL-QGZVFWFLSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)ccc1C ZINC001481000222 1095724743 /nfs/dbraw/zinc/72/47/43/1095724743.db2.gz RVQOTTJVXPETRL-QGZVFWFLSA-N 1 3 331.504 2.583 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2c1cccc2F ZINC001481055134 1096187400 /nfs/dbraw/zinc/18/74/00/1096187400.db2.gz ZVDYPYNLBGBQCD-DNVCBOLYSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001211713450 1096295633 /nfs/dbraw/zinc/29/56/33/1096295633.db2.gz MEHPIBMGRYSYBC-YSIASYRMSA-N 1 3 345.531 2.959 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001211713452 1096295772 /nfs/dbraw/zinc/29/57/72/1096295772.db2.gz MEHPIBMGRYSYBC-YZGWKJHDSA-N 1 3 345.531 2.959 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001167900527 1096330589 /nfs/dbraw/zinc/33/05/89/1096330589.db2.gz KPPBWHYEWNRCDY-HNNXBMFYSA-N 1 3 340.471 2.898 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001268405122 1096510868 /nfs/dbraw/zinc/51/08/68/1096510868.db2.gz PZYGJJDZOWBSCY-HIFRSBDPSA-N 1 3 333.467 2.637 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481749210 1096522291 /nfs/dbraw/zinc/52/22/91/1096522291.db2.gz WLYINGLXPDNHBM-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481749210 1096522296 /nfs/dbraw/zinc/52/22/96/1096522296.db2.gz WLYINGLXPDNHBM-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603649451 1096575247 /nfs/dbraw/zinc/57/52/47/1096575247.db2.gz DZBMTANMCBWEOP-ZCGYKAAXSA-N 1 3 340.475 2.924 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603649451 1096575250 /nfs/dbraw/zinc/57/52/50/1096575250.db2.gz DZBMTANMCBWEOP-ZCGYKAAXSA-N 1 3 340.475 2.924 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603648746 1096576540 /nfs/dbraw/zinc/57/65/40/1096576540.db2.gz AKDIELYMIXQIFN-BELGNNRLSA-N 1 3 328.464 2.780 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603648746 1096576548 /nfs/dbraw/zinc/57/65/48/1096576548.db2.gz AKDIELYMIXQIFN-BELGNNRLSA-N 1 3 328.464 2.780 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)cc1C ZINC001481817763 1096733588 /nfs/dbraw/zinc/73/35/88/1096733588.db2.gz AJXBODBRSMPEDT-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001481851727 1096795559 /nfs/dbraw/zinc/79/55/59/1096795559.db2.gz WQHSPJFWYLUIRO-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO C[N@H+](CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001604741947 1096945870 /nfs/dbraw/zinc/94/58/70/1096945870.db2.gz VCMLVSGXGAQDAV-GOSISDBHSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@@H+](CCCC[NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001604741947 1096945874 /nfs/dbraw/zinc/94/58/74/1096945874.db2.gz VCMLVSGXGAQDAV-GOSISDBHSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@H+](CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001604741947 1096945880 /nfs/dbraw/zinc/94/58/80/1096945880.db2.gz VCMLVSGXGAQDAV-GOSISDBHSA-N 1 3 340.475 2.708 20 0 EFADHO C[N@@H+](CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001604741947 1096945883 /nfs/dbraw/zinc/94/58/83/1096945883.db2.gz VCMLVSGXGAQDAV-GOSISDBHSA-N 1 3 340.475 2.708 20 0 EFADHO CCN(CC[NH2+]Cc1cc(C)sc1C)C(=O)[C@@H](C(C)C)N(C)C ZINC001268493749 1096966576 /nfs/dbraw/zinc/96/65/76/1096966576.db2.gz SLLXIRZFOUMVPR-QGZVFWFLSA-N 1 3 339.549 2.889 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@](C)(CNCc2ccccc2F)C2CC2)CC1 ZINC001481940749 1096972413 /nfs/dbraw/zinc/97/24/13/1096972413.db2.gz ZBALJRIBUZKODZ-IBGZPJMESA-N 1 3 347.478 2.542 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001481959884 1097008077 /nfs/dbraw/zinc/00/80/77/1097008077.db2.gz DDQSFFRCWVWCFA-FXAWDEMLSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001481959884 1097008082 /nfs/dbraw/zinc/00/80/82/1097008082.db2.gz DDQSFFRCWVWCFA-FXAWDEMLSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001481959887 1097008279 /nfs/dbraw/zinc/00/82/79/1097008279.db2.gz DDQSFFRCWVWCFA-YLJYHZDGSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CNCc2ccccn2)CCCC[C@H]1C ZINC001481959887 1097008284 /nfs/dbraw/zinc/00/82/84/1097008284.db2.gz DDQSFFRCWVWCFA-YLJYHZDGSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001481959885 1097008730 /nfs/dbraw/zinc/00/87/30/1097008730.db2.gz DDQSFFRCWVWCFA-PXNSSMCTSA-N 1 3 346.519 2.578 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(CNCc2ccccn2)CCCC[C@@H]1C ZINC001481959885 1097008736 /nfs/dbraw/zinc/00/87/36/1097008736.db2.gz DDQSFFRCWVWCFA-PXNSSMCTSA-N 1 3 346.519 2.578 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001482015609 1097089343 /nfs/dbraw/zinc/08/93/43/1097089343.db2.gz AOIZUJKHCOVJOD-URJKDKQISA-N 1 3 348.318 2.663 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001482015609 1097089349 /nfs/dbraw/zinc/08/93/49/1097089349.db2.gz AOIZUJKHCOVJOD-URJKDKQISA-N 1 3 348.318 2.663 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001482106910 1097267720 /nfs/dbraw/zinc/26/77/20/1097267720.db2.gz DDCICGXFXGJHIS-MRXNPFEDSA-N 1 3 343.515 2.502 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001482106907 1097267880 /nfs/dbraw/zinc/26/78/80/1097267880.db2.gz DDCICGXFXGJHIS-INIZCTEOSA-N 1 3 343.515 2.502 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001482107597 1097268578 /nfs/dbraw/zinc/26/85/78/1097268578.db2.gz KDOGEUMXAASETJ-KBXCAEBGSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccccc1C1CC1 ZINC001482144985 1097401500 /nfs/dbraw/zinc/40/15/00/1097401500.db2.gz VIELDZGLJHTTSJ-DLBZAZTESA-N 1 3 343.515 2.748 20 0 EFADHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609122669 1098155347 /nfs/dbraw/zinc/15/53/47/1098155347.db2.gz LPVYWZOMQZBAQW-KSSFIOAISA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609122669 1098155350 /nfs/dbraw/zinc/15/53/50/1098155350.db2.gz LPVYWZOMQZBAQW-KSSFIOAISA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123766 1098157203 /nfs/dbraw/zinc/15/72/03/1098157203.db2.gz OFEWTXDTLWYOQP-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609123766 1098157206 /nfs/dbraw/zinc/15/72/06/1098157206.db2.gz OFEWTXDTLWYOQP-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123766 1098157210 /nfs/dbraw/zinc/15/72/10/1098157210.db2.gz OFEWTXDTLWYOQP-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609123766 1098157213 /nfs/dbraw/zinc/15/72/13/1098157213.db2.gz OFEWTXDTLWYOQP-GFCCVEGCSA-N 1 3 332.427 2.531 20 0 EFADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001609222939 1098211637 /nfs/dbraw/zinc/21/16/37/1098211637.db2.gz IREGULWOTCMAJH-UHFFFAOYSA-N 1 3 346.454 2.560 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]CC=C(Cl)Cl)CCCC1)N(C)C ZINC001269558731 1098248737 /nfs/dbraw/zinc/24/87/37/1098248737.db2.gz FTBCSRCQNWFBJH-GFCCVEGCSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001481279527 1098606856 /nfs/dbraw/zinc/60/68/56/1098606856.db2.gz JCUNYKARDZUDBW-OAHLLOKOSA-N 1 3 337.483 2.913 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1F ZINC001481279527 1098606861 /nfs/dbraw/zinc/60/68/61/1098606861.db2.gz JCUNYKARDZUDBW-OAHLLOKOSA-N 1 3 337.483 2.913 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001481279525 1098606878 /nfs/dbraw/zinc/60/68/78/1098606878.db2.gz JCUNYKARDZUDBW-HNNXBMFYSA-N 1 3 337.483 2.913 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)c1ccccc1F ZINC001481279525 1098606882 /nfs/dbraw/zinc/60/68/82/1098606882.db2.gz JCUNYKARDZUDBW-HNNXBMFYSA-N 1 3 337.483 2.913 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104803158 1098618885 /nfs/dbraw/zinc/61/88/85/1098618885.db2.gz PJKBELYAEVZEAK-QZTJIDSGSA-N 1 3 343.531 2.932 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]C/C=C/Cl ZINC001104832697 1098710883 /nfs/dbraw/zinc/71/08/83/1098710883.db2.gz PAGVDFNATWPYQT-KSXVNBEGSA-N 1 3 341.927 2.545 20 0 EFADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832855 1098712862 /nfs/dbraw/zinc/71/28/62/1098712862.db2.gz XTWTVFIDLKGDLG-BHIYHBOVSA-N 1 3 337.552 2.839 20 0 EFADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832676 1098716464 /nfs/dbraw/zinc/71/64/64/1098716464.db2.gz NRBQJHWYUPXJIU-RTBURBONSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104938120 1099091285 /nfs/dbraw/zinc/09/12/85/1099091285.db2.gz POQFUDFDLWPUAV-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1 ZINC001104937991 1099091739 /nfs/dbraw/zinc/09/17/39/1099091739.db2.gz MHFAEBIYNOCDNL-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104938621 1099093044 /nfs/dbraw/zinc/09/30/44/1099093044.db2.gz YEDISDTWODYKGP-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)COCc1ccccc1 ZINC001167964750 1099152970 /nfs/dbraw/zinc/15/29/70/1099152970.db2.gz XLYJISGYHWTCHD-VTHDOGFWSA-N 1 3 344.499 2.559 20 0 EFADHO O[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)COCc1ccccc1 ZINC001167964750 1099152975 /nfs/dbraw/zinc/15/29/75/1099152975.db2.gz XLYJISGYHWTCHD-VTHDOGFWSA-N 1 3 344.499 2.559 20 0 EFADHO CC(C)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167964862 1099164395 /nfs/dbraw/zinc/16/43/95/1099164395.db2.gz YXSXJRDFCRXVPJ-YQQQUEKLSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C/C=C\Cl)C1)N(C)C ZINC001112524520 1099236897 /nfs/dbraw/zinc/23/68/97/1099236897.db2.gz SNLJZZGXFLQVOG-LTXGLWGISA-N 1 3 341.927 2.543 20 0 EFADHO O=C1CCC2(CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)N1 ZINC001167967636 1099275237 /nfs/dbraw/zinc/27/52/37/1099275237.db2.gz JBJZXJOPRPQMOU-HRWABPMOSA-N 1 3 331.504 2.573 20 0 EFADHO C[C@@H](CNCc1cccnc1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482311570 1099403273 /nfs/dbraw/zinc/40/32/73/1099403273.db2.gz APXZUZCHYXNMKR-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CC(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)C1CCC1 ZINC001481365801 1099484461 /nfs/dbraw/zinc/48/44/61/1099484461.db2.gz AREXIYWROPRPGN-IBGZPJMESA-N 1 3 329.488 2.718 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001105067252 1099541883 /nfs/dbraw/zinc/54/18/83/1099541883.db2.gz UBNMPEGYWXYYCV-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H]1[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989014 1099670576 /nfs/dbraw/zinc/67/05/76/1099670576.db2.gz RWMXKYRCJBHWPU-WJJUKOQOSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H]1[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989014 1099670579 /nfs/dbraw/zinc/67/05/79/1099670579.db2.gz RWMXKYRCJBHWPU-WJJUKOQOSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H]1N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989014 1099670583 /nfs/dbraw/zinc/67/05/83/1099670583.db2.gz RWMXKYRCJBHWPU-WJJUKOQOSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H]1N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989014 1099670587 /nfs/dbraw/zinc/67/05/87/1099670587.db2.gz RWMXKYRCJBHWPU-WJJUKOQOSA-N 1 3 345.531 2.915 20 0 EFADHO FC1(F)CN(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)C1 ZINC001167995198 1099757757 /nfs/dbraw/zinc/75/77/57/1099757757.db2.gz YSJVRNCJATUNEC-JWTNVVGKSA-N 1 3 339.474 2.807 20 0 EFADHO FC1(F)CN(C2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)C1 ZINC001167995198 1099757762 /nfs/dbraw/zinc/75/77/62/1099757762.db2.gz YSJVRNCJATUNEC-JWTNVVGKSA-N 1 3 339.474 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc(C(C)C)n2)CC1 ZINC001203437356 1099779258 /nfs/dbraw/zinc/77/92/58/1099779258.db2.gz KBLHBNSWTTZKNS-UHFFFAOYSA-N 1 3 346.519 2.627 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001075785074 1099849092 /nfs/dbraw/zinc/84/90/92/1099849092.db2.gz QOZZENIVUVPHDS-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001075785074 1099849104 /nfs/dbraw/zinc/84/91/04/1099849104.db2.gz QOZZENIVUVPHDS-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1Cl ZINC001087522954 1100161296 /nfs/dbraw/zinc/16/12/96/1100161296.db2.gz DBSJNMCOCHWGOE-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1Cl ZINC001087522954 1100161297 /nfs/dbraw/zinc/16/12/97/1100161297.db2.gz DBSJNMCOCHWGOE-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1Cc1ccccc1Cl ZINC001087522954 1100161307 /nfs/dbraw/zinc/16/13/07/1100161307.db2.gz DBSJNMCOCHWGOE-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1Cc1ccccc1Cl ZINC001087522954 1100161310 /nfs/dbraw/zinc/16/13/10/1100161310.db2.gz DBSJNMCOCHWGOE-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC001270902567 1100190659 /nfs/dbraw/zinc/19/06/59/1100190659.db2.gz GQZWSNPUBOFZGD-NXEWRWPSSA-N 1 3 341.499 2.783 20 0 EFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CC2 ZINC001270902418 1100191851 /nfs/dbraw/zinc/19/18/51/1100191851.db2.gz DPIYPJQNXWHXOS-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC001482435621 1100205559 /nfs/dbraw/zinc/20/55/59/1100205559.db2.gz RKNQXBHONNRAFW-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1)C1CCCC1 ZINC001271076849 1100447609 /nfs/dbraw/zinc/44/76/09/1100447609.db2.gz XZWOYEATRCFSPF-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087602568 1100581466 /nfs/dbraw/zinc/58/14/66/1100581466.db2.gz UWCROPRKIAOWIC-IPMKNSEASA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001087602568 1100581468 /nfs/dbraw/zinc/58/14/68/1100581468.db2.gz UWCROPRKIAOWIC-IPMKNSEASA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396546 1100591530 /nfs/dbraw/zinc/59/15/30/1100591530.db2.gz OKBONWOGEOJRST-IBGZPJMESA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396546 1100591534 /nfs/dbraw/zinc/59/15/34/1100591534.db2.gz OKBONWOGEOJRST-IBGZPJMESA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396547 1100592348 /nfs/dbraw/zinc/59/23/48/1100592348.db2.gz OKBONWOGEOJRST-LJQANCHMSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396547 1100592356 /nfs/dbraw/zinc/59/23/56/1100592356.db2.gz OKBONWOGEOJRST-LJQANCHMSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C/C=C/Cl ZINC001087641841 1100621136 /nfs/dbraw/zinc/62/11/36/1100621136.db2.gz FUIXDECACXDZGL-BPZRLTIMSA-N 1 3 332.835 2.670 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087828804 1100831385 /nfs/dbraw/zinc/83/13/85/1100831385.db2.gz VZDGQHWYUPSFKP-NZSAHSFTSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087828804 1100831391 /nfs/dbraw/zinc/83/13/91/1100831391.db2.gz VZDGQHWYUPSFKP-NZSAHSFTSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001087829401 1100833560 /nfs/dbraw/zinc/83/35/60/1100833560.db2.gz AJLNYIVUBYGEQA-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001087829401 1100833563 /nfs/dbraw/zinc/83/35/63/1100833563.db2.gz AJLNYIVUBYGEQA-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1COCCN1CCNC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168025365 1100838725 /nfs/dbraw/zinc/83/87/25/1100838725.db2.gz JWHUGQQJDDEVEK-GUDVDZBRSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1nc(=N)n(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1CN ZINC001168034311 1100993926 /nfs/dbraw/zinc/99/39/26/1100993926.db2.gz PFEDHFBCRYLUDQ-GJZGRUSLSA-N 1 3 339.487 2.744 20 0 EFADHO Cc1nc(=N)n([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1CN ZINC001168034309 1100994141 /nfs/dbraw/zinc/99/41/41/1100994141.db2.gz PFEDHFBCRYLUDQ-CCWDJLKJSA-N 1 3 339.487 2.744 20 0 EFADHO Cc1nc(=N)n([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1CN ZINC001168034309 1100994150 /nfs/dbraw/zinc/99/41/50/1100994150.db2.gz PFEDHFBCRYLUDQ-CCWDJLKJSA-N 1 3 339.487 2.744 20 0 EFADHO C[C@@H]1CC(N2CCO[C@H](CN(C)C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039279 1101081795 /nfs/dbraw/zinc/08/17/95/1101081795.db2.gz CSKTYKRYGQQARE-DBXWQHBBSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1CC(NC[C@@H]2CCCC(=O)N2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039678 1101084138 /nfs/dbraw/zinc/08/41/38/1101084138.db2.gz HDHYGUJNHOLWHY-NUJGCVRESA-N 1 3 329.488 2.686 20 0 EFADHO CO[C@@H]1CN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1OC ZINC001168039847 1101089044 /nfs/dbraw/zinc/08/90/44/1101089044.db2.gz IARWZVUYJOGYTO-CPLUKWAASA-N 1 3 332.488 2.774 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]3C2)CCC1 ZINC001087992646 1101165278 /nfs/dbraw/zinc/16/52/78/1101165278.db2.gz DUONXNDJOOJCEA-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)CCC1 ZINC001087992646 1101165281 /nfs/dbraw/zinc/16/52/81/1101165281.db2.gz DUONXNDJOOJCEA-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994761 1101168538 /nfs/dbraw/zinc/16/85/38/1101168538.db2.gz ARTWKMGCDUNRIE-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001087994761 1101168540 /nfs/dbraw/zinc/16/85/40/1101168540.db2.gz ARTWKMGCDUNRIE-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+](CCC(=O)N1CC2(CCN2C2CCCC2)C1)Cc1ccccc1 ZINC001271296808 1101350009 /nfs/dbraw/zinc/35/00/09/1101350009.db2.gz RCELBQZOEPWTDJ-UHFFFAOYSA-N 1 3 341.499 2.738 20 0 EFADHO C[N@@H+](CCC(=O)N1CC2(CCN2C2CCCC2)C1)Cc1ccccc1 ZINC001271296808 1101350019 /nfs/dbraw/zinc/35/00/19/1101350019.db2.gz RCELBQZOEPWTDJ-UHFFFAOYSA-N 1 3 341.499 2.738 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001167385813 1101393875 /nfs/dbraw/zinc/39/38/75/1101393875.db2.gz UNMOELFTTIDQLB-IRXDYDNUSA-N 1 3 341.515 2.874 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608331 1101400008 /nfs/dbraw/zinc/40/00/08/1101400008.db2.gz HFRYLVYLURPNGI-LEWJYISDSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608331 1101400021 /nfs/dbraw/zinc/40/00/21/1101400021.db2.gz HFRYLVYLURPNGI-LEWJYISDSA-N 1 3 327.516 2.926 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CC2)CC(=O)Nc2ccccc23)C1 ZINC001208606253 1101400253 /nfs/dbraw/zinc/40/02/53/1101400253.db2.gz DNDZCLJPASGXJT-MRXNPFEDSA-N 1 3 327.472 2.704 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC3(CC2)CC(=O)Nc2ccccc23)C1 ZINC001208606253 1101400258 /nfs/dbraw/zinc/40/02/58/1101400258.db2.gz DNDZCLJPASGXJT-MRXNPFEDSA-N 1 3 327.472 2.704 20 0 EFADHO Cc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000066994789 1101479448 /nfs/dbraw/zinc/47/94/48/1101479448.db2.gz LGKMRGMTVCOEIV-UHFFFAOYSA-N 1 3 325.456 2.576 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109775 1101567107 /nfs/dbraw/zinc/56/71/07/1101567107.db2.gz YCFIYYJJYKZCIF-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088109775 1101567113 /nfs/dbraw/zinc/56/71/13/1101567113.db2.gz YCFIYYJJYKZCIF-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130054 1101623503 /nfs/dbraw/zinc/62/35/03/1101623503.db2.gz UCVHPODWLSMJSZ-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130054 1101623507 /nfs/dbraw/zinc/62/35/07/1101623507.db2.gz UCVHPODWLSMJSZ-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114985037 1101682553 /nfs/dbraw/zinc/68/25/53/1101682553.db2.gz VMCVOGNGYRDVRV-RUYXUALKSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC001114985037 1101682557 /nfs/dbraw/zinc/68/25/57/1101682557.db2.gz VMCVOGNGYRDVRV-RUYXUALKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@@H+]1C ZINC001655737458 1101881770 /nfs/dbraw/zinc/88/17/70/1101881770.db2.gz MZPIXZTUTXGHPT-WBVHZDCISA-N 1 3 335.455 2.993 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@H+]1C ZINC001655737458 1101881780 /nfs/dbraw/zinc/88/17/80/1101881780.db2.gz MZPIXZTUTXGHPT-WBVHZDCISA-N 1 3 335.455 2.993 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N(C)C ZINC001346224203 1101893374 /nfs/dbraw/zinc/89/33/74/1101893374.db2.gz GGYSGEOENDMZLM-QMTHXVAHSA-N 1 3 333.245 2.551 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001104347440 1101969953 /nfs/dbraw/zinc/96/99/53/1101969953.db2.gz ZXJGPVSENGGGGP-MISYRCLQSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001104347133 1101971198 /nfs/dbraw/zinc/97/11/98/1101971198.db2.gz QPOOOCTUPLVBAU-MISYRCLQSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001104348724 1101997177 /nfs/dbraw/zinc/99/71/77/1101997177.db2.gz RMLDKIRRGHOKDE-MISYRCLQSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@H]1CC(N(C)CCC(=O)N(C)C)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065934 1102054678 /nfs/dbraw/zinc/05/46/78/1102054678.db2.gz ZGVPXFBTVGVIGZ-IRXDYDNUSA-N 1 3 331.504 2.838 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167225222 1102083419 /nfs/dbraw/zinc/08/34/19/1102083419.db2.gz QSRHKXALEZXUBG-QGZVFWFLSA-N 1 3 335.536 2.927 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1)CC(C)(C)C ZINC001167240904 1102125438 /nfs/dbraw/zinc/12/54/38/1102125438.db2.gz UKRBATIAYBNCEB-UITAMQMPSA-N 1 3 329.916 2.593 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240950 1102127558 /nfs/dbraw/zinc/12/75/58/1102127558.db2.gz XBADKKUJLQZBFC-OAHLLOKOSA-N 1 3 329.504 2.589 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001167471056 1102141463 /nfs/dbraw/zinc/14/14/63/1102141463.db2.gz ROEQKBIXQARFJV-UHFFFAOYSA-N 1 3 329.504 2.734 20 0 EFADHO CCc1cccc(C[NH2+]CC2(CCNC(=O)[C@H](CC)N(C)C)CC2)c1 ZINC001167260649 1102184997 /nfs/dbraw/zinc/18/49/97/1102184997.db2.gz CMKUFAJHUYJUGN-IBGZPJMESA-N 1 3 345.531 2.965 20 0 EFADHO CCc1ccccc1C[NH2+]CC1(CCNC(=O)[C@H](CC)N(C)C)CC1 ZINC001167260631 1102186129 /nfs/dbraw/zinc/18/61/29/1102186129.db2.gz BCQDADWREIAWON-IBGZPJMESA-N 1 3 345.531 2.965 20 0 EFADHO CC[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362997 1102214776 /nfs/dbraw/zinc/21/47/76/1102214776.db2.gz UGBQGVNDIZNENO-BRWVUGGUSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954218 1102241586 /nfs/dbraw/zinc/24/15/86/1102241586.db2.gz AANMVHPCAXVXMM-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCc2ccc(C)cc2)CC1 ZINC001167480914 1102303732 /nfs/dbraw/zinc/30/37/32/1102303732.db2.gz WZOZTVIOWDAAOI-UHFFFAOYSA-N 1 3 345.531 2.755 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001167480925 1102304330 /nfs/dbraw/zinc/30/43/30/1102304330.db2.gz XHBVHRBXLUMOLJ-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000073553609 1102403151 /nfs/dbraw/zinc/40/31/51/1102403151.db2.gz BCXKIJYUZIQGEC-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000073553605 1102403908 /nfs/dbraw/zinc/40/39/08/1102403908.db2.gz BCXKIJYUZIQGEC-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482499922 1102415867 /nfs/dbraw/zinc/41/58/67/1102415867.db2.gz RQFRNIUDXMTKQH-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425835 1102484511 /nfs/dbraw/zinc/48/45/11/1102484511.db2.gz DQBVAGULRNLOTI-SJORKVTESA-N 1 3 335.536 2.948 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C)N(C)C ZINC001266880854 1102572392 /nfs/dbraw/zinc/57/23/92/1102572392.db2.gz PXLDJLUJXAYBGX-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104287860 1102591225 /nfs/dbraw/zinc/59/12/25/1102591225.db2.gz NJCPHYBDIWYCMI-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000970800733 1102785363 /nfs/dbraw/zinc/78/53/63/1102785363.db2.gz RPNVDXSZBQGVCT-QZTJIDSGSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)C2)c1 ZINC000970800794 1102785842 /nfs/dbraw/zinc/78/58/42/1102785842.db2.gz VGGHAAPRDAANEI-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104291787 1102859029 /nfs/dbraw/zinc/85/90/29/1102859029.db2.gz VHQKSRPCNKYCDF-AHRSYUTCSA-N 1 3 343.515 2.601 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC001088325912 1102928129 /nfs/dbraw/zinc/92/81/29/1102928129.db2.gz BMCGUAJZAYVXKV-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001088327877 1102935498 /nfs/dbraw/zinc/93/54/98/1102935498.db2.gz ZICNMQVEVAXAPC-SJLPKXTDSA-N 1 3 339.499 2.724 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@@H](NCCF)C1 ZINC001088327877 1102935505 /nfs/dbraw/zinc/93/55/05/1102935505.db2.gz ZICNMQVEVAXAPC-SJLPKXTDSA-N 1 3 339.499 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001088331310 1102951198 /nfs/dbraw/zinc/95/11/98/1102951198.db2.gz WAUZYXYTORHWMV-OALUTQOASA-N 1 3 346.519 2.529 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ncccc2C)C1)N(C)C ZINC001088334440 1102987401 /nfs/dbraw/zinc/98/74/01/1102987401.db2.gz ICKXXBLXYQMMNU-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001088334551 1102989773 /nfs/dbraw/zinc/98/97/73/1102989773.db2.gz KVBRBGYAZSPAPV-RBUKOAKNSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001409763975 1103078596 /nfs/dbraw/zinc/07/85/96/1103078596.db2.gz TZBSANKKEKXFPQ-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001409763975 1103078613 /nfs/dbraw/zinc/07/86/13/1103078613.db2.gz TZBSANKKEKXFPQ-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCCC[C@H]([NH2+]CCF)C2)C1 ZINC001088382044 1103339610 /nfs/dbraw/zinc/33/96/10/1103339610.db2.gz SRKMPAROCQAAHL-MAUKXSAKSA-N 1 3 345.478 2.529 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001088382376 1103341619 /nfs/dbraw/zinc/34/16/19/1103341619.db2.gz ZTPZEQHIRZLPNT-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001088383394 1103347891 /nfs/dbraw/zinc/34/78/91/1103347891.db2.gz CRIVJOPWFSGWIC-SJORKVTESA-N 1 3 337.533 2.949 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001088384052 1103353285 /nfs/dbraw/zinc/35/32/85/1103353285.db2.gz UXJMKEYQAFCVGZ-OALUTQOASA-N 1 3 331.504 2.888 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001088390604 1103383065 /nfs/dbraw/zinc/38/30/65/1103383065.db2.gz QUDDEDDJTPGVST-QGZVFWFLSA-N 1 3 330.476 2.813 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001483348115 1103450627 /nfs/dbraw/zinc/45/06/27/1103450627.db2.gz STRSDDSFGPZIDM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001483348115 1103450638 /nfs/dbraw/zinc/45/06/38/1103450638.db2.gz STRSDDSFGPZIDM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1C1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483377972 1103533561 /nfs/dbraw/zinc/53/35/61/1103533561.db2.gz LXYNGNAZQXVNGM-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@H](NCCF)C1)[NH+]1CCCCC1 ZINC001088431371 1103588335 /nfs/dbraw/zinc/58/83/35/1103588335.db2.gz RPOQLZWXQCMVMP-ROUUACIJSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC001040398865 1103631973 /nfs/dbraw/zinc/63/19/73/1103631973.db2.gz KIUKPIYGUTVWII-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001040398865 1103631977 /nfs/dbraw/zinc/63/19/77/1103631977.db2.gz KIUKPIYGUTVWII-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001105427538 1103754677 /nfs/dbraw/zinc/75/46/77/1103754677.db2.gz REYOCPHXPBJCOR-IRFCIJBXSA-N 1 3 345.531 2.789 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000905985373 1103792508 /nfs/dbraw/zinc/79/25/08/1103792508.db2.gz UBCRWXDPWDFDPH-OAGGEKHMSA-N 1 3 333.476 2.819 20 0 EFADHO Cc1cc(NC(=O)[C@H](N)CC(C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000906089976 1103891991 /nfs/dbraw/zinc/89/19/91/1103891991.db2.gz BPLQVHLVPNWOPJ-LJQANCHMSA-N 1 3 346.519 2.837 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000906091872 1103892926 /nfs/dbraw/zinc/89/29/26/1103892926.db2.gz ZSRGZPDCRPORPL-BHIYHBOVSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000906091872 1103892936 /nfs/dbraw/zinc/89/29/36/1103892936.db2.gz ZSRGZPDCRPORPL-BHIYHBOVSA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1C)N(C)C ZINC001663103448 1103979643 /nfs/dbraw/zinc/97/96/43/1103979643.db2.gz BFZPERUIHXDFKQ-OALUTQOASA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1C)N(C)C ZINC001663103448 1103979649 /nfs/dbraw/zinc/97/96/49/1103979649.db2.gz BFZPERUIHXDFKQ-OALUTQOASA-N 1 3 346.519 2.591 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001105429381 1103994439 /nfs/dbraw/zinc/99/44/39/1103994439.db2.gz XYXUETBTZQHEFZ-MSEWRSJXSA-N 1 3 331.504 2.543 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212222 1104042703 /nfs/dbraw/zinc/04/27/03/1104042703.db2.gz TVCRASMMAZTNHS-YOVCOIKASA-N 1 3 349.441 2.662 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001483616658 1104085982 /nfs/dbraw/zinc/08/59/82/1104085982.db2.gz UANAMLQDKPWSFT-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO c1ccc(CN2C[C@H]3C[NH+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)cc1 ZINC001168391005 1104184584 /nfs/dbraw/zinc/18/45/84/1104184584.db2.gz KCKLONGLLIHJPE-SFTDATJTSA-N 1 3 339.527 2.925 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001483620941 1104196391 /nfs/dbraw/zinc/19/63/91/1104196391.db2.gz NOIJKVXHXOMQCA-OCQNNJOQSA-N 1 3 341.927 2.688 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)CCC)C1 ZINC001105446847 1104207902 /nfs/dbraw/zinc/20/79/02/1104207902.db2.gz YLKPGOGALJWVQZ-PUZFROQSSA-N 1 3 331.504 2.544 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001105447376 1104214013 /nfs/dbraw/zinc/21/40/13/1104214013.db2.gz DKAWCKBTMZYADM-ZJSJBZJDSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000906587746 1104311050 /nfs/dbraw/zinc/31/10/50/1104311050.db2.gz NKUAPGLDFRPILX-GEALJGNFSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000906587746 1104311057 /nfs/dbraw/zinc/31/10/57/1104311057.db2.gz NKUAPGLDFRPILX-GEALJGNFSA-N 1 3 331.479 2.639 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000906646450 1104396970 /nfs/dbraw/zinc/39/69/70/1104396970.db2.gz GWUWZCJBWHAVBH-UHFFFAOYSA-N 1 3 347.503 2.854 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001409616604 1104527815 /nfs/dbraw/zinc/52/78/15/1104527815.db2.gz KVPJSHJMLDPICT-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001409616604 1104527824 /nfs/dbraw/zinc/52/78/24/1104527824.db2.gz KVPJSHJMLDPICT-YJBOKZPZSA-N 1 3 342.487 2.512 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)N(C)Cc1ccccc1 ZINC001409638138 1104569974 /nfs/dbraw/zinc/56/99/74/1104569974.db2.gz CKEGDXSWHMCGRY-QGZVFWFLSA-N 1 3 343.515 2.745 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)Cc1ccc(Cl)cc1C ZINC001482641922 1104718326 /nfs/dbraw/zinc/71/83/26/1104718326.db2.gz RRGGMYGMIZSJFK-UHFFFAOYSA-N 1 3 339.911 2.880 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1ccc(Cl)cc1C ZINC001482641922 1104718334 /nfs/dbraw/zinc/71/83/34/1104718334.db2.gz RRGGMYGMIZSJFK-UHFFFAOYSA-N 1 3 339.911 2.880 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)[C@@H]1C ZINC001088605070 1104850975 /nfs/dbraw/zinc/85/09/75/1104850975.db2.gz FVKPZYFDCLSYSL-NEWSRXKRSA-N 1 3 333.520 2.940 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001088605070 1104850983 /nfs/dbraw/zinc/85/09/83/1104850983.db2.gz FVKPZYFDCLSYSL-NEWSRXKRSA-N 1 3 333.520 2.940 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C ZINC001088605105 1104851459 /nfs/dbraw/zinc/85/14/59/1104851459.db2.gz HEZSNMLOHXCKFS-HOJAQTOUSA-N 1 3 343.515 2.683 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C ZINC001088605105 1104851466 /nfs/dbraw/zinc/85/14/66/1104851466.db2.gz HEZSNMLOHXCKFS-HOJAQTOUSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001666219573 1104905184 /nfs/dbraw/zinc/90/51/84/1104905184.db2.gz VGRQQWUMNGFIBY-FQEVSTJZSA-N 1 3 345.531 2.991 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482697451 1104953934 /nfs/dbraw/zinc/95/39/34/1104953934.db2.gz ZOPNNOHRJHGHTL-FUHWJXTLSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)C1(N(C)C)CCC1 ZINC001482932275 1105179103 /nfs/dbraw/zinc/17/91/03/1105179103.db2.gz WURABWWFNHLUKF-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001668214949 1105258753 /nfs/dbraw/zinc/25/87/53/1105258753.db2.gz SMFADABFYBBTAN-WBMJQRKESA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001668214948 1105258875 /nfs/dbraw/zinc/25/88/75/1105258875.db2.gz SMFADABFYBBTAN-LRDDRELGSA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001668558417 1105320049 /nfs/dbraw/zinc/32/00/49/1105320049.db2.gz VPIQDCQWCHMAQB-KRWDZBQOSA-N 1 3 331.460 2.711 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988955776 1105399202 /nfs/dbraw/zinc/39/92/02/1105399202.db2.gz LDQJZMCFJDYWBI-WMZOPIPTSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000988956605 1105400162 /nfs/dbraw/zinc/40/01/62/1105400162.db2.gz SCWRUTGCGWRPDN-RDJZCZTQSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964215 1105408484 /nfs/dbraw/zinc/40/84/84/1105408484.db2.gz ZUUNYKXFMIZBED-ZWKOTPCHSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000988968887 1105412383 /nfs/dbraw/zinc/41/23/83/1105412383.db2.gz SUFLJWLRZLEEAJ-BBRMVZONSA-N 1 3 335.517 2.620 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001030019464 1105505554 /nfs/dbraw/zinc/50/55/54/1105505554.db2.gz IRDUGVFMJVPNNL-QXAKKESOSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001088622008 1105522971 /nfs/dbraw/zinc/52/29/71/1105522971.db2.gz CZQPKJBFQAPCTB-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CCC1 ZINC001088622008 1105522976 /nfs/dbraw/zinc/52/29/76/1105522976.db2.gz CZQPKJBFQAPCTB-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001030019530 1105568989 /nfs/dbraw/zinc/56/89/89/1105568989.db2.gz QPUXSHLYYNRTPF-NZSAHSFTSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001030019539 1105569547 /nfs/dbraw/zinc/56/95/47/1105569547.db2.gz WAMZDBJABIWCAJ-GDIGMMSISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C2(C[NH2+]CC3CC3)CCC2)C1 ZINC001105563438 1105943119 /nfs/dbraw/zinc/94/31/19/1105943119.db2.gz NLQDSWRIHMBVSO-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105579949 1105975080 /nfs/dbraw/zinc/97/50/80/1105975080.db2.gz ZWHZYFJPZMELCA-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)CCC1 ZINC001040236312 1106022972 /nfs/dbraw/zinc/02/29/72/1106022972.db2.gz LVVHSYKGXQTHES-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CC2)C3)CCC1 ZINC001040236312 1106022980 /nfs/dbraw/zinc/02/29/80/1106022980.db2.gz LVVHSYKGXQTHES-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000897960888 1106168476 /nfs/dbraw/zinc/16/84/76/1106168476.db2.gz DXLKKNWRDIGHJI-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000897960888 1106168477 /nfs/dbraw/zinc/16/84/77/1106168477.db2.gz DXLKKNWRDIGHJI-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449686 1106208951 /nfs/dbraw/zinc/20/89/51/1106208951.db2.gz KPMGXXFPQLEPKX-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000989457888 1106279110 /nfs/dbraw/zinc/27/91/10/1106279110.db2.gz XSUIGFDHVTVPFW-MSOLQXFVSA-N 1 3 341.515 2.923 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000989457888 1106279113 /nfs/dbraw/zinc/27/91/13/1106279113.db2.gz XSUIGFDHVTVPFW-MSOLQXFVSA-N 1 3 341.515 2.923 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000089546831 1106302315 /nfs/dbraw/zinc/30/23/15/1106302315.db2.gz ZLMVMQIFGGMVIP-UZLBHIALSA-N 1 3 343.515 2.961 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)C1 ZINC000989481260 1106358276 /nfs/dbraw/zinc/35/82/76/1106358276.db2.gz RVBFEBNPSOQWDL-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)C1 ZINC000989481260 1106358277 /nfs/dbraw/zinc/35/82/77/1106358277.db2.gz RVBFEBNPSOQWDL-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)C1 ZINC000989481257 1106358980 /nfs/dbraw/zinc/35/89/80/1106358980.db2.gz RVBFEBNPSOQWDL-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)C1 ZINC000989481257 1106358984 /nfs/dbraw/zinc/35/89/84/1106358984.db2.gz RVBFEBNPSOQWDL-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490772 1106364141 /nfs/dbraw/zinc/36/41/41/1106364141.db2.gz AGEBTEPEPSTDAH-WMLDXEAASA-N 1 3 332.492 2.748 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490872 1106364259 /nfs/dbraw/zinc/36/42/59/1106364259.db2.gz LTDILHBTOUKFSC-SFHVURJKSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1C(=O)Cc1c[nH]cn1 ZINC000989490981 1106365294 /nfs/dbraw/zinc/36/52/94/1106365294.db2.gz BVINFWKLXWPLOE-KXBFYZLASA-N 1 3 348.450 2.885 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000989488853 1106372054 /nfs/dbraw/zinc/37/20/54/1106372054.db2.gz UTMHXMUPPNYKJD-WMZOPIPTSA-N 1 3 340.471 2.657 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989524865 1106402730 /nfs/dbraw/zinc/40/27/30/1106402730.db2.gz ZJVOWFQLMSBJMK-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2(C[NH2+]CCCF)CC2)c1 ZINC001168301774 1106434668 /nfs/dbraw/zinc/43/46/68/1106434668.db2.gz CWIMSPJQQHHNDJ-UHFFFAOYSA-N 1 3 335.467 2.598 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604867 1106481163 /nfs/dbraw/zinc/48/11/63/1106481163.db2.gz GCBUDXKZVGZDEL-FUHWJXTLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606802 1106481982 /nfs/dbraw/zinc/48/19/82/1106481982.db2.gz VDGSHRONWWKWCQ-IEBWSBKVSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241316 1106488573 /nfs/dbraw/zinc/48/85/73/1106488573.db2.gz NGSOYYNNGUNRHD-FQEVSTJZSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241316 1106488576 /nfs/dbraw/zinc/48/85/76/1106488576.db2.gz NGSOYYNNGUNRHD-FQEVSTJZSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cccc(C)c1CNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000091059289 1106536468 /nfs/dbraw/zinc/53/64/68/1106536468.db2.gz RLVAGAOFOPPXPZ-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)CC[NH+]3CCCCC3)CC2)cc1 ZINC000989732520 1106597076 /nfs/dbraw/zinc/59/70/76/1106597076.db2.gz YEEKOGXIZDIZFD-UHFFFAOYSA-N 1 3 343.515 2.905 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000989728705 1106602349 /nfs/dbraw/zinc/60/23/49/1106602349.db2.gz SHWJWJRKMGPFSY-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000989728705 1106602352 /nfs/dbraw/zinc/60/23/52/1106602352.db2.gz SHWJWJRKMGPFSY-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@@H+]2CCCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC000989736801 1106613401 /nfs/dbraw/zinc/61/34/01/1106613401.db2.gz FDDQYRCJSVKUSZ-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CC1CC(C[N@H+]2CCCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC000989736801 1106613405 /nfs/dbraw/zinc/61/34/05/1106613405.db2.gz FDDQYRCJSVKUSZ-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CN1C(=O)CN1CCCC1 ZINC000989800994 1106657903 /nfs/dbraw/zinc/65/79/03/1106657903.db2.gz WZANBEGMFGQEKC-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO C[NH+](C)C1CCC(N2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001168319025 1106658611 /nfs/dbraw/zinc/65/86/11/1106658611.db2.gz LUFGHITVBQJWHZ-UCUFBTAOSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000989796081 1106666597 /nfs/dbraw/zinc/66/65/97/1106666597.db2.gz HDEVHCMAEDTZIW-WBVHZDCISA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000989796078 1106666662 /nfs/dbraw/zinc/66/66/62/1106666662.db2.gz HDEVHCMAEDTZIW-DOTOQJQBSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798533 1106668959 /nfs/dbraw/zinc/66/89/59/1106668959.db2.gz AZPVNLCKRAILEX-MAUKXSAKSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)CN1C(=O)CN1CCCC1 ZINC000989798964 1106669882 /nfs/dbraw/zinc/66/98/82/1106669882.db2.gz IBMDVBVSIVUKFK-DOTOQJQBSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CN1C(=O)CN1CCCC1 ZINC000989798966 1106670393 /nfs/dbraw/zinc/67/03/93/1106670393.db2.gz IBMDVBVSIVUKFK-RDJZCZTQSA-N 1 3 341.455 2.608 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(C1CCC([NH+](C)C)CC1)[C@@H]2C ZINC001168322321 1106722905 /nfs/dbraw/zinc/72/29/05/1106722905.db2.gz RVKDRPWUOPGVRY-WWDZGPRUSA-N 1 3 347.551 2.973 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CCC1 ZINC001088860258 1106746558 /nfs/dbraw/zinc/74/65/58/1106746558.db2.gz CMGIHSVXEKTPHV-SIXWZSSISA-N 1 3 339.499 2.578 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CCC1 ZINC001088860258 1106746571 /nfs/dbraw/zinc/74/65/71/1106746571.db2.gz CMGIHSVXEKTPHV-SIXWZSSISA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168326794 1106874641 /nfs/dbraw/zinc/87/46/41/1106874641.db2.gz LCKVSJRCNXYRNY-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)cc1 ZINC001088899737 1106955013 /nfs/dbraw/zinc/95/50/13/1106955013.db2.gz XHBFWNFCEBNFJL-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001168335483 1107158837 /nfs/dbraw/zinc/15/88/37/1107158837.db2.gz KKDSEMVEUDTISU-QGZVFWFLSA-N 1 3 341.515 2.877 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001088980790 1107195547 /nfs/dbraw/zinc/19/55/47/1107195547.db2.gz RUOMJJYRAYDTHD-NHGXNNFMSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001088980790 1107195554 /nfs/dbraw/zinc/19/55/54/1107195554.db2.gz RUOMJJYRAYDTHD-NHGXNNFMSA-N 1 3 341.499 2.621 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1C ZINC001088980766 1107196020 /nfs/dbraw/zinc/19/60/20/1107196020.db2.gz QZJOQWBOUJEQMF-HOJAQTOUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C ZINC001088980766 1107196027 /nfs/dbraw/zinc/19/60/27/1107196027.db2.gz QZJOQWBOUJEQMF-HOJAQTOUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)c(C)s1 ZINC001088981125 1107201327 /nfs/dbraw/zinc/20/13/27/1107201327.db2.gz DJOIVGIBLIKRDV-HFTRVMKXSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c(C)s1 ZINC001088981125 1107201337 /nfs/dbraw/zinc/20/13/37/1107201337.db2.gz DJOIVGIBLIKRDV-HFTRVMKXSA-N 1 3 349.544 2.786 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCC1CC1 ZINC001089058665 1107374027 /nfs/dbraw/zinc/37/40/27/1107374027.db2.gz CLPWEQQSYAMBCM-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCC1CC1 ZINC001089058665 1107374042 /nfs/dbraw/zinc/37/40/42/1107374042.db2.gz CLPWEQQSYAMBCM-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060955 1107383242 /nfs/dbraw/zinc/38/32/42/1107383242.db2.gz PJCLOEKYSOSUAT-RKVPGOIHSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060955 1107383257 /nfs/dbraw/zinc/38/32/57/1107383257.db2.gz PJCLOEKYSOSUAT-RKVPGOIHSA-N 1 3 335.467 2.689 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CCc2ccccc2F)CC1 ZINC001168345710 1107389095 /nfs/dbraw/zinc/38/90/95/1107389095.db2.gz SIIZPVZHOWTZLB-UHFFFAOYSA-N 1 3 349.494 2.585 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)c1 ZINC001088702726 1107436441 /nfs/dbraw/zinc/43/64/41/1107436441.db2.gz FZHPXUZMJJKXBI-MJGOQNOKSA-N 1 3 341.499 2.702 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001088703051 1107448192 /nfs/dbraw/zinc/44/81/92/1107448192.db2.gz YSVRFHQFJQDSHJ-AEFFLSMTSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CC2(CCC2)C1 ZINC001088703051 1107448198 /nfs/dbraw/zinc/44/81/98/1107448198.db2.gz YSVRFHQFJQDSHJ-AEFFLSMTSA-N 1 3 345.531 2.774 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243361 1107552580 /nfs/dbraw/zinc/55/25/80/1107552580.db2.gz FFNVMCWBKUBQFY-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1[C@H](NC2CC[NH+](CC3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC001168351671 1107579639 /nfs/dbraw/zinc/57/96/39/1107579639.db2.gz XUHZZWLSJVHMAP-RHSMWYFYSA-N 1 3 337.508 2.848 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC000990276383 1107588365 /nfs/dbraw/zinc/58/83/65/1107588365.db2.gz IJVSVUFVJOIJJH-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000990276366 1107588963 /nfs/dbraw/zinc/58/89/63/1107588963.db2.gz IGJOFFXDJFVEQF-KRWDZBQOSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(Cl)c1 ZINC000990277365 1107589877 /nfs/dbraw/zinc/58/98/77/1107589877.db2.gz NNGCBIMBPQSSCI-GOSISDBHSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(Cl)c1 ZINC000990277366 1107590309 /nfs/dbraw/zinc/59/03/09/1107590309.db2.gz NNGCBIMBPQSSCI-SFHVURJKSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000990279427 1107593009 /nfs/dbraw/zinc/59/30/09/1107593009.db2.gz WCIZIVUHZQFNNE-KRWDZBQOSA-N 1 3 335.879 2.515 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000990279429 1107593639 /nfs/dbraw/zinc/59/36/39/1107593639.db2.gz WCIZIVUHZQFNNE-QGZVFWFLSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001089135964 1107595579 /nfs/dbraw/zinc/59/55/79/1107595579.db2.gz DKURBFFQYDQIHB-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001089135964 1107595585 /nfs/dbraw/zinc/59/55/85/1107595585.db2.gz DKURBFFQYDQIHB-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)(C)CC[C@H]([NH3+])CNCCCN1c2ccccc2OCC1=O ZINC000904362395 1107847672 /nfs/dbraw/zinc/84/76/72/1107847672.db2.gz MEUGQJPHAXBPTK-HNNXBMFYSA-N 1 3 333.476 2.545 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2cccc(Oc3ccc(F)cc3)c2)CC1 ZINC000904374087 1107868442 /nfs/dbraw/zinc/86/84/42/1107868442.db2.gz ZOONYSANTZFDJX-UHFFFAOYSA-N 1 3 330.403 2.904 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)cc12 ZINC000904412050 1107914156 /nfs/dbraw/zinc/91/41/56/1107914156.db2.gz OVRBHYFQQOOOEL-KRWDZBQOSA-N 1 3 341.503 2.878 20 0 EFADHO COc1ccc(CN(CCCO)Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000904473392 1107963363 /nfs/dbraw/zinc/96/33/63/1107963363.db2.gz QNPZTDGUCHYXAI-UHFFFAOYSA-N 1 3 346.496 2.787 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H]2CCN2CCCC2CCCC2)CC1 ZINC001483698821 1107978110 /nfs/dbraw/zinc/97/81/10/1107978110.db2.gz WZSCCQMMDNVBJP-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccco1 ZINC000904637079 1108075919 /nfs/dbraw/zinc/07/59/19/1108075919.db2.gz IAEHPBCFMCPUAI-CJNGLKHVSA-N 1 3 330.432 2.989 20 0 EFADHO CN(CCCN(C)C(=O)Nc1ccccc1C[NH3+])Cc1ccco1 ZINC000904638186 1108077404 /nfs/dbraw/zinc/07/74/04/1108077404.db2.gz NOVFAXYHIZYIGC-UHFFFAOYSA-N 1 3 330.432 2.724 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000904653118 1108086585 /nfs/dbraw/zinc/08/65/85/1108086585.db2.gz GPTJCCAKNBOEKX-SFHVURJKSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccccc2C[NH3+])CN1Cc1ccccc1 ZINC000904651683 1108086874 /nfs/dbraw/zinc/08/68/74/1108086874.db2.gz GMGLBRHGHQEQLF-QAPCUYQASA-N 1 3 338.455 2.930 20 0 EFADHO CC1CCC(N2CCN(C(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC000904661292 1108100520 /nfs/dbraw/zinc/10/05/20/1108100520.db2.gz SGMBXZWBEFWMAG-UHFFFAOYSA-N 1 3 330.476 2.874 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000904663723 1108102535 /nfs/dbraw/zinc/10/25/35/1108102535.db2.gz AABVGVGTBPHXIL-UHFFFAOYSA-N 1 3 348.516 2.628 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000904664798 1108103529 /nfs/dbraw/zinc/10/35/29/1108103529.db2.gz KFWDPFRDFRUIBB-UHFFFAOYSA-N 1 3 338.455 2.715 20 0 EFADHO CC[NH+](CC)CCC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001272401971 1108188759 /nfs/dbraw/zinc/18/87/59/1108188759.db2.gz OBPVYVDSXBFGOB-GJZGRUSLSA-N 1 3 349.441 2.736 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415488 1108229145 /nfs/dbraw/zinc/22/91/45/1108229145.db2.gz PJLHEFQGHTVMCV-UYAOXDASSA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415488 1108229154 /nfs/dbraw/zinc/22/91/54/1108229154.db2.gz PJLHEFQGHTVMCV-UYAOXDASSA-N 1 3 335.536 2.855 20 0 EFADHO CCC[C@@H](C)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430994 1108282716 /nfs/dbraw/zinc/28/27/16/1108282716.db2.gz JCQSPASLVFXWGB-UTKZUKDTSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[C@@H](C)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430994 1108282725 /nfs/dbraw/zinc/28/27/25/1108282725.db2.gz JCQSPASLVFXWGB-UTKZUKDTSA-N 1 3 343.515 2.975 20 0 EFADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393233 1108316617 /nfs/dbraw/zinc/31/66/17/1108316617.db2.gz AEPSVMCQLUOPIS-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393233 1108316630 /nfs/dbraw/zinc/31/66/30/1108316630.db2.gz AEPSVMCQLUOPIS-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCCC3)CC2)c1 ZINC001483733881 1108470241 /nfs/dbraw/zinc/47/02/41/1108470241.db2.gz IJOLESMBCAPHSQ-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001483734358 1108491062 /nfs/dbraw/zinc/49/10/62/1108491062.db2.gz XBGCBSUTKZDUJB-LJQANCHMSA-N 1 3 343.515 2.860 20 0 EFADHO C[C@](O)(CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254737 1108546568 /nfs/dbraw/zinc/54/65/68/1108546568.db2.gz OSXWKOHKVCRJTJ-YJBOKZPZSA-N 1 3 326.431 2.893 20 0 EFADHO C[C@](O)(CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254737 1108546576 /nfs/dbraw/zinc/54/65/76/1108546576.db2.gz OSXWKOHKVCRJTJ-YJBOKZPZSA-N 1 3 326.431 2.893 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)c1 ZINC001483740798 1108722655 /nfs/dbraw/zinc/72/26/55/1108722655.db2.gz RRRMOOJXYABKDS-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768982 1108728257 /nfs/dbraw/zinc/72/82/57/1108728257.db2.gz MOJJSJANCFUJSN-MNEFBYGVSA-N 1 3 335.536 2.876 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768982 1108728261 /nfs/dbraw/zinc/72/82/61/1108728261.db2.gz MOJJSJANCFUJSN-MNEFBYGVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001167051415 1108739664 /nfs/dbraw/zinc/73/96/64/1108739664.db2.gz KUWWIZLMFHKKMM-GOSISDBHSA-N 1 3 335.536 2.949 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001167051691 1108740352 /nfs/dbraw/zinc/74/03/52/1108740352.db2.gz YEAOMIXXSJVPBJ-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CC1CCCC1 ZINC001075333953 1108769752 /nfs/dbraw/zinc/76/97/52/1108769752.db2.gz ZTHGDDMQMCQCJH-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571862 1108771559 /nfs/dbraw/zinc/77/15/59/1108771559.db2.gz RKUZSLAXWYPVAK-OAHLLOKOSA-N 1 3 327.488 2.628 20 0 EFADHO CC[C@H](F)C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCCCC1 ZINC001115571861 1108771787 /nfs/dbraw/zinc/77/17/87/1108771787.db2.gz RKUZSLAXWYPVAK-HNNXBMFYSA-N 1 3 327.488 2.628 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001075336257 1108784881 /nfs/dbraw/zinc/78/48/81/1108784881.db2.gz ZYGPYKRGXKAKDG-AEFFLSMTSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@@H]1COC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924708206 1108788723 /nfs/dbraw/zinc/78/87/23/1108788723.db2.gz XUAAQDKSFWTNTF-RTWAWAEBSA-N 1 3 345.531 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001030020935 1108840113 /nfs/dbraw/zinc/84/01/13/1108840113.db2.gz YUQDHHRXRHYQAW-WZOJCFFYSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000924720795 1108864984 /nfs/dbraw/zinc/86/49/84/1108864984.db2.gz BNYRHJORNHLFQB-SFHVURJKSA-N 1 3 338.499 2.550 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001030021628 1108891909 /nfs/dbraw/zinc/89/19/09/1108891909.db2.gz IPEQFSMTGCGSIF-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001030021701 1108894559 /nfs/dbraw/zinc/89/45/59/1108894559.db2.gz WYSFGBMNPBUHOU-JLSDUUJJSA-N 1 3 335.467 2.808 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000898579724 1109020198 /nfs/dbraw/zinc/02/01/98/1109020198.db2.gz VCVZYHBXUBHQQE-SQNIBIBYSA-N 1 3 329.488 2.668 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)[C@@H]1c1ccccc1 ZINC000898579724 1109020200 /nfs/dbraw/zinc/02/02/00/1109020200.db2.gz VCVZYHBXUBHQQE-SQNIBIBYSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001142586902 1109049508 /nfs/dbraw/zinc/04/95/08/1109049508.db2.gz RUZISRNSLBKURD-UHFFFAOYSA-N 1 3 335.467 2.589 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001142586902 1109049512 /nfs/dbraw/zinc/04/95/12/1109049512.db2.gz RUZISRNSLBKURD-UHFFFAOYSA-N 1 3 335.467 2.589 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000899134382 1109214212 /nfs/dbraw/zinc/21/42/12/1109214212.db2.gz KQSGZHUJBBJFJN-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000899134382 1109214214 /nfs/dbraw/zinc/21/42/14/1109214214.db2.gz KQSGZHUJBBJFJN-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417700 1109219686 /nfs/dbraw/zinc/21/96/86/1109219686.db2.gz IJPYHNUBRPCTHV-ZDUSSCGKSA-N 1 3 343.313 2.784 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cc(Br)nn2C)C1 ZINC000785417700 1109219688 /nfs/dbraw/zinc/21/96/88/1109219688.db2.gz IJPYHNUBRPCTHV-ZDUSSCGKSA-N 1 3 343.313 2.784 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001483137227 1109609684 /nfs/dbraw/zinc/60/96/84/1109609684.db2.gz NLBTXICDRMSWPU-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC001076605742 1109951627 /nfs/dbraw/zinc/95/16/27/1109951627.db2.gz QODSHMIRRFXKRA-ZWKOTPCHSA-N 1 3 347.528 2.657 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001483185572 1109968497 /nfs/dbraw/zinc/96/84/97/1109968497.db2.gz QNIMDALHYFPRPF-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001046597690 1111184873 /nfs/dbraw/zinc/18/48/73/1111184873.db2.gz KCCKEEINNXQPCW-OAQYLSRUSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]Cc1ccc(CF)cc1)N1CCCCC1 ZINC001127317543 1111352111 /nfs/dbraw/zinc/35/21/11/1111352111.db2.gz PSLCWHTUWFDBCV-UHFFFAOYSA-N 1 3 335.467 2.626 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCF)C12CCC2 ZINC001203505730 1111411726 /nfs/dbraw/zinc/41/17/26/1111411726.db2.gz FLXRXNUURLMIOI-DLBZAZTESA-N 1 3 341.515 2.875 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001106336176 1111425482 /nfs/dbraw/zinc/42/54/82/1111425482.db2.gz GEKRUGKVUBARFV-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001106336223 1111425536 /nfs/dbraw/zinc/42/55/36/1111425536.db2.gz IDCRYCPFVVKKJC-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001106340020 1111433114 /nfs/dbraw/zinc/43/31/14/1111433114.db2.gz IDJOYPWGILQKDE-SJLPKXTDSA-N 1 3 335.536 2.901 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(CCCN(Cc3ccccc3F)CC2)C1=O ZINC001272595611 1111519508 /nfs/dbraw/zinc/51/95/08/1111519508.db2.gz WQNLFOZHDKECDC-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665264 1111708033 /nfs/dbraw/zinc/70/80/33/1111708033.db2.gz PDNQTBONBDHFPV-ZRAQOITDSA-N 1 3 335.536 2.901 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106665262 1111708475 /nfs/dbraw/zinc/70/84/75/1111708475.db2.gz PDNQTBONBDHFPV-QRTFGMIHSA-N 1 3 335.536 2.901 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)c1 ZINC001106778353 1111825578 /nfs/dbraw/zinc/82/55/78/1111825578.db2.gz DTRGBCZRTVYSMY-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001106779378 1111826407 /nfs/dbraw/zinc/82/64/07/1111826407.db2.gz MAGUWKBASJBGPU-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC001106784171 1111829549 /nfs/dbraw/zinc/82/95/49/1111829549.db2.gz CXTUTFMEZOBHKV-RHSMWYFYSA-N 1 3 337.533 2.582 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC001106785142 1111831108 /nfs/dbraw/zinc/83/11/08/1111831108.db2.gz XVDUONMOINCWAF-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798382 1111850366 /nfs/dbraw/zinc/85/03/66/1111850366.db2.gz BBLIJYNFYLAZAV-RTBURBONSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001409896879 1111868825 /nfs/dbraw/zinc/86/88/25/1111868825.db2.gz CGYVODJQKCWBLD-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203524552 1111947362 /nfs/dbraw/zinc/94/73/62/1111947362.db2.gz WSHKMSRNXFANIM-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCc2ccccc2)C1 ZINC001409904581 1112104978 /nfs/dbraw/zinc/10/49/78/1112104978.db2.gz GCEGXBZQWOFFJP-QGZVFWFLSA-N 1 3 345.531 2.644 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC1 ZINC001089484085 1112215108 /nfs/dbraw/zinc/21/51/08/1112215108.db2.gz RUTFWRSGJDNLHK-FAOGRTBUSA-N 1 3 341.927 2.688 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089536252 1112275756 /nfs/dbraw/zinc/27/57/56/1112275756.db2.gz AMWTYSBIISIECO-ATEGUMQPSA-N 1 3 341.927 2.688 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(C/C=C\Cl)CC(C)(C)C2)C1 ZINC001089536252 1112275759 /nfs/dbraw/zinc/27/57/59/1112275759.db2.gz AMWTYSBIISIECO-ATEGUMQPSA-N 1 3 341.927 2.688 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001089548050 1112292982 /nfs/dbraw/zinc/29/29/82/1112292982.db2.gz FLNMPTMGRKRONM-UKRRQHHQSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001089548050 1112292983 /nfs/dbraw/zinc/29/29/83/1112292983.db2.gz FLNMPTMGRKRONM-UKRRQHHQSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089548649 1112294148 /nfs/dbraw/zinc/29/41/48/1112294148.db2.gz OGWPCOOMARKRBQ-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089548649 1112294150 /nfs/dbraw/zinc/29/41/50/1112294150.db2.gz OGWPCOOMARKRBQ-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565635 1112318502 /nfs/dbraw/zinc/31/85/02/1112318502.db2.gz VGHNFBJRWJDQIY-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)CC(C)(C)C1 ZINC001089565635 1112318507 /nfs/dbraw/zinc/31/85/07/1112318507.db2.gz VGHNFBJRWJDQIY-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001031715351 1112416612 /nfs/dbraw/zinc/41/66/12/1112416612.db2.gz RXKIUKSHVXQIBM-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(C)cc2C)C1 ZINC001031715351 1112416614 /nfs/dbraw/zinc/41/66/14/1112416614.db2.gz RXKIUKSHVXQIBM-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC001203455011 1112423709 /nfs/dbraw/zinc/42/37/09/1112423709.db2.gz CCORPKSWTZDYDH-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC001483916417 1112557283 /nfs/dbraw/zinc/55/72/83/1112557283.db2.gz OZSICZTYWJLBCH-FUHWJXTLSA-N 1 3 349.494 2.945 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001483924497 1112563612 /nfs/dbraw/zinc/56/36/12/1112563612.db2.gz JBMPGZONGUPBKC-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001484144097 1112820480 /nfs/dbraw/zinc/82/04/80/1112820480.db2.gz ZFMWOZMNANUWOX-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C/c3ccccc3)CCC2)CCC1 ZINC001484637518 1113089705 /nfs/dbraw/zinc/08/97/05/1113089705.db2.gz HEKOFMIVNHZOKD-IZZDOVSWSA-N 1 3 341.499 2.813 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001484722768 1113126767 /nfs/dbraw/zinc/12/67/67/1113126767.db2.gz JIHZBKAYUSSBTM-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(F)cc1 ZINC001484977399 1117917019 /nfs/dbraw/zinc/91/70/19/1117917019.db2.gz RFHFVUPFFCZNMZ-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821771 1117926517 /nfs/dbraw/zinc/92/65/17/1117926517.db2.gz YGVFSURSYXMMKG-RDGPPVDQSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821771 1117926521 /nfs/dbraw/zinc/92/65/21/1117926521.db2.gz YGVFSURSYXMMKG-RDGPPVDQSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821770 1117926584 /nfs/dbraw/zinc/92/65/84/1117926584.db2.gz YGVFSURSYXMMKG-OKYOBFRVSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821770 1117926587 /nfs/dbraw/zinc/92/65/87/1117926587.db2.gz YGVFSURSYXMMKG-OKYOBFRVSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(Cl)cc1 ZINC001485346028 1118267090 /nfs/dbraw/zinc/26/70/90/1118267090.db2.gz PWCXIABIGCYEOO-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001485351020 1118273976 /nfs/dbraw/zinc/27/39/76/1118273976.db2.gz RJIXNBZNUQKIIJ-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001485351020 1118273979 /nfs/dbraw/zinc/27/39/79/1118273979.db2.gz RJIXNBZNUQKIIJ-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485377236 1118303211 /nfs/dbraw/zinc/30/32/11/1118303211.db2.gz YGAWTDJLHSYNCP-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485377236 1118303214 /nfs/dbraw/zinc/30/32/14/1118303214.db2.gz YGAWTDJLHSYNCP-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000995187895 1118755943 /nfs/dbraw/zinc/75/59/43/1118755943.db2.gz UOVOFLYPYQIZGW-WBVHZDCISA-N 1 3 344.503 2.715 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272707925 1118756982 /nfs/dbraw/zinc/75/69/82/1118756982.db2.gz YIUGSXXCIDPRKW-FQEVSTJZSA-N 1 3 347.478 2.653 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001485813615 1118929279 /nfs/dbraw/zinc/92/92/79/1118929279.db2.gz LXTKCGOCDJDTBM-MOPGFXCFSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCN1CCCCC1 ZINC001272718987 1119189483 /nfs/dbraw/zinc/18/94/83/1119189483.db2.gz PTYTUDWBAGSHRA-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCCN1CCCCC1 ZINC001272718987 1119189485 /nfs/dbraw/zinc/18/94/85/1119189485.db2.gz PTYTUDWBAGSHRA-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)CC1 ZINC001032094310 1119604730 /nfs/dbraw/zinc/60/47/30/1119604730.db2.gz GSQJUZJAKCZCDB-KRWDZBQOSA-N 1 3 343.515 2.916 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029231 1119818740 /nfs/dbraw/zinc/81/87/40/1119818740.db2.gz OUHKVYOECNMQIZ-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034340 1119935608 /nfs/dbraw/zinc/93/56/08/1119935608.db2.gz VXCNTJYMKKXZLW-NXHRZFHOSA-N 1 3 349.494 2.794 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001107036152 1120014881 /nfs/dbraw/zinc/01/48/81/1120014881.db2.gz FVCZDVPSTHFRRV-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001107038691 1120043413 /nfs/dbraw/zinc/04/34/13/1120043413.db2.gz DJWGANHHHFIGDH-VQIMIIECSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039010 1120044961 /nfs/dbraw/zinc/04/49/61/1120044961.db2.gz LHKGNWIJUVWFNV-SJLPKXTDSA-N 1 3 349.494 2.658 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001107042469 1120067732 /nfs/dbraw/zinc/06/77/32/1120067732.db2.gz NROKLZBBVPSRCN-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107042707 1120068660 /nfs/dbraw/zinc/06/86/60/1120068660.db2.gz ZBJOSPFNMVTRKF-SJLPKXTDSA-N 1 3 349.494 2.658 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001107042615 1120068822 /nfs/dbraw/zinc/06/88/22/1120068822.db2.gz VIZFRAPGUZZOFJ-JFIYKMOQSA-N 1 3 349.494 2.911 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001107042616 1120069011 /nfs/dbraw/zinc/06/90/11/1120069011.db2.gz VIZFRAPGUZZOFJ-SOLBZPMBSA-N 1 3 349.494 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@@H]1C ZINC000944441743 1120193625 /nfs/dbraw/zinc/19/36/25/1120193625.db2.gz ACACNXFJRMLXCB-WMLDXEAASA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)C[C@@H]1C ZINC000944441743 1120193628 /nfs/dbraw/zinc/19/36/28/1120193628.db2.gz ACACNXFJRMLXCB-WMLDXEAASA-N 1 3 330.476 2.588 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@H]1C ZINC000944441801 1120193906 /nfs/dbraw/zinc/19/39/06/1120193906.db2.gz AOVPZGLFRZFEGB-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C[C@H]1C ZINC000944441801 1120193907 /nfs/dbraw/zinc/19/39/07/1120193907.db2.gz AOVPZGLFRZFEGB-RHSMWYFYSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC000944446211 1120194745 /nfs/dbraw/zinc/19/47/45/1120194745.db2.gz SMBQCAAMEHMVLC-RHSMWYFYSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC000944446211 1120194748 /nfs/dbraw/zinc/19/47/48/1120194748.db2.gz SMBQCAAMEHMVLC-RHSMWYFYSA-N 1 3 344.503 2.668 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001032205536 1120197421 /nfs/dbraw/zinc/19/74/21/1120197421.db2.gz BBLQAGDGFOBQCK-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032206014 1120199382 /nfs/dbraw/zinc/19/93/82/1120199382.db2.gz PDISDCAVYJAFKK-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001032205009 1120199856 /nfs/dbraw/zinc/19/98/56/1120199856.db2.gz LWRUNFRTKLHHJL-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001032207135 1120203929 /nfs/dbraw/zinc/20/39/29/1120203929.db2.gz YWDUWTCNHHCYMK-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028648 1120519782 /nfs/dbraw/zinc/51/97/82/1120519782.db2.gz KYBWLHKXKJHEGF-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1C[N@@H+](CCCF)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028648 1120519786 /nfs/dbraw/zinc/51/97/86/1120519786.db2.gz KYBWLHKXKJHEGF-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031358 1120522460 /nfs/dbraw/zinc/52/24/60/1120522460.db2.gz ZYAIZFNZWAFEOW-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031358 1120522464 /nfs/dbraw/zinc/52/24/64/1120522464.db2.gz ZYAIZFNZWAFEOW-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090547 1120560753 /nfs/dbraw/zinc/56/07/53/1120560753.db2.gz LJWJQDGCLMFTAS-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090547 1120560757 /nfs/dbraw/zinc/56/07/57/1120560757.db2.gz LJWJQDGCLMFTAS-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[NH+](C)CCOCCN[C@H]1CCc2sc(Br)cc21 ZINC000336787826 282108619 /nfs/dbraw/zinc/10/86/19/282108619.db2.gz FWHDCSNUIUHRKB-NSHDSACASA-N 1 3 333.295 2.666 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000356113806 282147802 /nfs/dbraw/zinc/14/78/02/282147802.db2.gz FGPYOFMUABYEFF-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000056621222 214381923 /nfs/dbraw/zinc/38/19/23/214381923.db2.gz VYBZEFFBMXXJTQ-HZPDHXFCSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000056621222 214381925 /nfs/dbraw/zinc/38/19/25/214381925.db2.gz VYBZEFFBMXXJTQ-HZPDHXFCSA-N 1 3 332.492 2.990 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)[C@@H]2C1 ZINC000425684166 282225776 /nfs/dbraw/zinc/22/57/76/282225776.db2.gz VXSNBBMFFCARMI-KFKAGJAMSA-N 1 3 342.487 2.793 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444890216 282242083 /nfs/dbraw/zinc/24/20/83/282242083.db2.gz VNZUTAWKCBLYHW-GOSISDBHSA-N 1 3 346.519 2.711 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444890216 282242093 /nfs/dbraw/zinc/24/20/93/282242093.db2.gz VNZUTAWKCBLYHW-GOSISDBHSA-N 1 3 346.519 2.711 20 0 EFADHO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000352447740 282260558 /nfs/dbraw/zinc/26/05/58/282260558.db2.gz OBFYPRVPERUGNX-PMACEKPBSA-N 1 3 338.499 2.991 20 0 EFADHO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000352447740 282260560 /nfs/dbraw/zinc/26/05/60/282260560.db2.gz OBFYPRVPERUGNX-PMACEKPBSA-N 1 3 338.499 2.991 20 0 EFADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000174687664 529832007 /nfs/dbraw/zinc/83/20/07/529832007.db2.gz KVMLPMVNNFMDRL-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO CN1[C@@H]2CC[C@H]1CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000174687664 529832009 /nfs/dbraw/zinc/83/20/09/529832009.db2.gz KVMLPMVNNFMDRL-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+](CCCn1ccnc1)CCC1CCN(c2ccncc2)CC1 ZINC000179662367 529899071 /nfs/dbraw/zinc/89/90/71/529899071.db2.gz OQDWBAARGOFTPE-UHFFFAOYSA-N 1 3 327.476 2.907 20 0 EFADHO C[N@@H+](CCCn1ccnc1)CCC1CCN(c2ccncc2)CC1 ZINC000179662367 529899072 /nfs/dbraw/zinc/89/90/72/529899072.db2.gz OQDWBAARGOFTPE-UHFFFAOYSA-N 1 3 327.476 2.907 20 0 EFADHO C[C@H](NCc1cccc(CO)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177838567 232008040 /nfs/dbraw/zinc/00/80/40/232008040.db2.gz QPUJEDWUOIYYRG-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237243475 290728492 /nfs/dbraw/zinc/72/84/92/290728492.db2.gz YVDXNJYMFSCUOQ-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO C[N@@H+]1CCC[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158481974 530064468 /nfs/dbraw/zinc/06/44/68/530064468.db2.gz PQTUDGFBBISSDV-RDJZCZTQSA-N 1 3 332.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@H]2CN(CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158481974 530064469 /nfs/dbraw/zinc/06/44/69/530064469.db2.gz PQTUDGFBBISSDV-RDJZCZTQSA-N 1 3 332.444 2.600 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158481974 530064470 /nfs/dbraw/zinc/06/44/70/530064470.db2.gz PQTUDGFBBISSDV-RDJZCZTQSA-N 1 3 332.444 2.600 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158481974 530064471 /nfs/dbraw/zinc/06/44/71/530064471.db2.gz PQTUDGFBBISSDV-RDJZCZTQSA-N 1 3 332.444 2.600 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000101653517 219152328 /nfs/dbraw/zinc/15/23/28/219152328.db2.gz PZYRMJYXRMRCQZ-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000101653517 219152329 /nfs/dbraw/zinc/15/23/29/219152329.db2.gz PZYRMJYXRMRCQZ-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnn(-c3ccccc3)c2)C[C@H](C)O1 ZINC000067452820 215147825 /nfs/dbraw/zinc/14/78/25/215147825.db2.gz YEJBTTMGNVUHDY-HDICACEKSA-N 1 3 342.487 2.851 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000179697170 233332133 /nfs/dbraw/zinc/33/21/33/233332133.db2.gz YWACRDFXXBVCGQ-QGZVFWFLSA-N 1 3 338.467 2.619 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418663414 282732435 /nfs/dbraw/zinc/73/24/35/282732435.db2.gz WYMFXXAKFWFWOB-GOSISDBHSA-N 1 3 344.503 2.736 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180946194 234039753 /nfs/dbraw/zinc/03/97/53/234039753.db2.gz XMJVHDVJPGXQCD-CQSZACIVSA-N 1 3 325.447 2.984 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418441448 535186626 /nfs/dbraw/zinc/18/66/26/535186626.db2.gz RPFDYJMBRUGANB-KRWDZBQOSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194138 282895252 /nfs/dbraw/zinc/89/52/52/282895252.db2.gz NLKNGJILKAHTBY-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416156120 283058858 /nfs/dbraw/zinc/05/88/58/283058858.db2.gz AJPMLJQEJSAWQN-HKUYNNGSSA-N 1 3 331.504 2.870 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416156120 283058864 /nfs/dbraw/zinc/05/88/64/283058864.db2.gz AJPMLJQEJSAWQN-HKUYNNGSSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1cnccn1 ZINC000183496493 235109650 /nfs/dbraw/zinc/10/96/50/235109650.db2.gz VVDYASNRYPOCCW-QGZVFWFLSA-N 1 3 340.471 2.845 20 0 EFADHO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361008 291058868 /nfs/dbraw/zinc/05/88/68/291058868.db2.gz KARPOEAAYIWQGK-ZWKOTPCHSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361008 291058870 /nfs/dbraw/zinc/05/88/70/291058870.db2.gz KARPOEAAYIWQGK-ZWKOTPCHSA-N 1 3 345.531 2.667 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535041 283107259 /nfs/dbraw/zinc/10/72/59/283107259.db2.gz MJTJSGZMSCDSHI-RBUKOAKNSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535041 283107260 /nfs/dbraw/zinc/10/72/60/283107260.db2.gz MJTJSGZMSCDSHI-RBUKOAKNSA-N 1 3 337.508 2.661 20 0 EFADHO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000184289647 235356622 /nfs/dbraw/zinc/35/66/22/235356622.db2.gz MBTRFXZQXZYDLG-GOSISDBHSA-N 1 3 338.499 2.988 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261873233 291077044 /nfs/dbraw/zinc/07/70/44/291077044.db2.gz YDIBHCGJARPJCG-WZGPROSRSA-N 1 3 329.488 2.531 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353419898 283141011 /nfs/dbraw/zinc/14/10/11/283141011.db2.gz DHOVJUPDABYHSD-YRXWBPOGSA-N 1 3 333.520 2.630 20 0 EFADHO C[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353419898 283141014 /nfs/dbraw/zinc/14/10/14/283141014.db2.gz DHOVJUPDABYHSD-YRXWBPOGSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000344543920 283219513 /nfs/dbraw/zinc/21/95/13/283219513.db2.gz VOLHGKMHUMYBAK-DLBZAZTESA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000351812032 283238151 /nfs/dbraw/zinc/23/81/51/283238151.db2.gz STGOWOWFCJZAOP-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000351812032 283238156 /nfs/dbraw/zinc/23/81/56/283238156.db2.gz STGOWOWFCJZAOP-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186770864 236013054 /nfs/dbraw/zinc/01/30/54/236013054.db2.gz FLGHPUIRMHSSJV-UHFFFAOYSA-N 1 3 329.444 2.661 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186770864 236013057 /nfs/dbraw/zinc/01/30/57/236013057.db2.gz FLGHPUIRMHSSJV-UHFFFAOYSA-N 1 3 329.444 2.661 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000354991692 283335835 /nfs/dbraw/zinc/33/58/35/283335835.db2.gz FWOIIBXSSBLTPX-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000354991692 283335837 /nfs/dbraw/zinc/33/58/37/283335837.db2.gz FWOIIBXSSBLTPX-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000449853683 296009911 /nfs/dbraw/zinc/00/99/11/296009911.db2.gz WICHHTJBUSBCCX-OALUTQOASA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000449853683 296009915 /nfs/dbraw/zinc/00/99/15/296009915.db2.gz WICHHTJBUSBCCX-OALUTQOASA-N 1 3 333.520 2.870 20 0 EFADHO CN(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073041488 216343007 /nfs/dbraw/zinc/34/30/07/216343007.db2.gz DVHFFVSZEWKRQC-LJQANCHMSA-N 1 3 325.456 2.781 20 0 EFADHO COCCN(C)c1ccc(CN2CCC(CCC[NH+](C)C)CC2)cn1 ZINC000191406320 239094781 /nfs/dbraw/zinc/09/47/81/239094781.db2.gz ZSHWOKXQMXYFRC-UHFFFAOYSA-N 1 3 348.535 2.718 20 0 EFADHO COc1cc([C@H](C)[NH2+]CCCN2CCCCC2)ccc1OCCO ZINC000162315880 239086739 /nfs/dbraw/zinc/08/67/39/239086739.db2.gz RMQJJBODURJHDP-INIZCTEOSA-N 1 3 336.476 2.593 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000167791739 239125219 /nfs/dbraw/zinc/12/52/19/239125219.db2.gz QJMGQUGGMDWJPT-MRXNPFEDSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@H](CC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000193406505 240152618 /nfs/dbraw/zinc/15/26/18/240152618.db2.gz BQTUDHORZUXVIN-QRWLVFNGSA-N 1 3 339.483 2.982 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000193874536 240344655 /nfs/dbraw/zinc/34/46/55/240344655.db2.gz BUVKBSLJQZOTCX-UHZRXMQZSA-N 1 3 342.483 2.828 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000352415794 296088438 /nfs/dbraw/zinc/08/84/38/296088438.db2.gz PUWKXKPPVMDNRY-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000352415794 296088440 /nfs/dbraw/zinc/08/84/40/296088440.db2.gz PUWKXKPPVMDNRY-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cccc(Br)c3)C[C@H]21 ZINC000228546146 242141307 /nfs/dbraw/zinc/14/13/07/242141307.db2.gz UOADIYOGYVXGOY-APHBMKBZSA-N 1 3 339.277 2.887 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000236715247 242331253 /nfs/dbraw/zinc/33/12/53/242331253.db2.gz VUHRDJGSJPWAQT-UHFFFAOYSA-N 1 3 349.544 2.982 20 0 EFADHO CC(C)[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000236741247 242341702 /nfs/dbraw/zinc/34/17/02/242341702.db2.gz GRFDAVGIIHHQCS-KRWDZBQOSA-N 1 3 337.895 2.652 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000236651370 242306259 /nfs/dbraw/zinc/30/62/59/242306259.db2.gz NOJSZZVOGQMBLH-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000236662016 242311334 /nfs/dbraw/zinc/31/13/34/242311334.db2.gz XGTMGKSFCJKXQF-UYAOXDASSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000236697248 242323065 /nfs/dbraw/zinc/32/30/65/242323065.db2.gz CRWVIGBTGBGNJD-IEBWSBKVSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236700829 242325734 /nfs/dbraw/zinc/32/57/34/242325734.db2.gz HRFCKXDOAMTBJC-FXAWDEMLSA-N 1 3 349.494 2.917 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)c1ccsc1 ZINC000236827796 242372717 /nfs/dbraw/zinc/37/27/17/242372717.db2.gz LYAPKRFNXNJDQQ-ROUUACIJSA-N 1 3 345.512 2.817 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000236827706 242372744 /nfs/dbraw/zinc/37/27/44/242372744.db2.gz OMKKGYNSDYMISO-PMACEKPBSA-N 1 3 339.483 2.756 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000236880041 242395110 /nfs/dbraw/zinc/39/51/10/242395110.db2.gz FMCANCIFVIXVQJ-ZWKOTPCHSA-N 1 3 329.488 2.575 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000236889027 242397932 /nfs/dbraw/zinc/39/79/32/242397932.db2.gz HTXROBHMHCXNRS-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000236889027 242397936 /nfs/dbraw/zinc/39/79/36/242397936.db2.gz HTXROBHMHCXNRS-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCN(C)C1 ZINC000412131252 243159788 /nfs/dbraw/zinc/15/97/88/243159788.db2.gz ITGXSBWFMDKIAC-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCN(C)C1 ZINC000412131247 243161258 /nfs/dbraw/zinc/16/12/58/243161258.db2.gz ITGXSBWFMDKIAC-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@@H]1[NH+](C)C ZINC000412144083 243164192 /nfs/dbraw/zinc/16/41/92/243164192.db2.gz APJPMTMNUHDIMQ-APWZRJJASA-N 1 3 329.488 2.695 20 0 EFADHO COc1cccc(C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)c1 ZINC000245532492 243124085 /nfs/dbraw/zinc/12/40/85/243124085.db2.gz HIBXXXJAZINKAO-OAQYLSRUSA-N 1 3 345.531 2.634 20 0 EFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246194116 243209252 /nfs/dbraw/zinc/20/92/52/243209252.db2.gz DKVXCEHLQZLXAU-ZIFCJYIRSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000246194116 243209256 /nfs/dbraw/zinc/20/92/56/243209256.db2.gz DKVXCEHLQZLXAU-ZIFCJYIRSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246234847 243215540 /nfs/dbraw/zinc/21/55/40/243215540.db2.gz IECYJINARDNJEM-YZGWKJHDSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000246440257 243253526 /nfs/dbraw/zinc/25/35/26/243253526.db2.gz UKONRKLLGXLUBC-OWCLPIDISA-N 1 3 333.476 2.827 20 0 EFADHO C[NH+](C)CC1(NC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000412326209 243269287 /nfs/dbraw/zinc/26/92/87/243269287.db2.gz ZUIOJHWTOXVGQC-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246564529 243274279 /nfs/dbraw/zinc/27/42/79/243274279.db2.gz UNGKLGFLTWOWHA-BHIYHBOVSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414183757 244036587 /nfs/dbraw/zinc/03/65/87/244036587.db2.gz FKMPDMGINOCFFV-LJQANCHMSA-N 1 3 337.552 2.587 20 0 EFADHO CCCC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187229 244036686 /nfs/dbraw/zinc/03/66/86/244036686.db2.gz IETMSNNZFFIDQO-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414191130 244038941 /nfs/dbraw/zinc/03/89/41/244038941.db2.gz LAYXUYDCKGIIES-LJQANCHMSA-N 1 3 337.552 2.732 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414202406 244044060 /nfs/dbraw/zinc/04/40/60/244044060.db2.gz YNVVNVLIVDIOFC-CVEARBPZSA-N 1 3 334.460 2.621 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414202406 244044071 /nfs/dbraw/zinc/04/40/71/244044071.db2.gz YNVVNVLIVDIOFC-CVEARBPZSA-N 1 3 334.460 2.621 20 0 EFADHO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201603 244045344 /nfs/dbraw/zinc/04/53/44/244045344.db2.gz SRDXMBVGIJYRGP-ZWKOTPCHSA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1(C)CC1 ZINC000414319865 244086404 /nfs/dbraw/zinc/08/64/04/244086404.db2.gz ASRBERHQEFLRRB-OAHLLOKOSA-N 1 3 329.488 2.662 20 0 EFADHO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414328692 244090526 /nfs/dbraw/zinc/09/05/26/244090526.db2.gz PTWFSTAJZGTTEW-JKSUJKDBSA-N 1 3 331.504 2.908 20 0 EFADHO CCc1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cn1 ZINC000414524201 244211083 /nfs/dbraw/zinc/21/10/83/244211083.db2.gz JQIRIPUWWBGKSZ-UHFFFAOYSA-N 1 3 339.483 2.761 20 0 EFADHO C[C@@H]1C[C@@H](CN(C)[C@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH2+]1 ZINC000414691255 244294355 /nfs/dbraw/zinc/29/43/55/244294355.db2.gz JQSCEXXXZNIYOO-VCBZYWHSSA-N 1 3 330.451 2.969 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+](CCc2ccccc2)C2CCCC2)C1 ZINC000414691234 244294455 /nfs/dbraw/zinc/29/44/55/244294455.db2.gz JMGRQPNFTAWZFT-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+](CCc2ccccc2)C2CCCC2)C1 ZINC000414691234 244294460 /nfs/dbraw/zinc/29/44/60/244294460.db2.gz JMGRQPNFTAWZFT-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414690401 244294915 /nfs/dbraw/zinc/29/49/15/244294915.db2.gz HTXDSHNTTCSPQD-DLBZAZTESA-N 1 3 330.476 2.533 20 0 EFADHO COc1cccc([C@H](C)N2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414701234 244296265 /nfs/dbraw/zinc/29/62/65/244296265.db2.gz ULKABUSMJLSOIO-FGTMMUONSA-N 1 3 331.504 2.762 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000414697644 244296324 /nfs/dbraw/zinc/29/63/24/244296324.db2.gz CKIIBVGOBYXOFR-OAHLLOKOSA-N 1 3 349.906 2.896 20 0 EFADHO COc1cccc([C@H](C)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414701233 244296473 /nfs/dbraw/zinc/29/64/73/244296473.db2.gz ULKABUSMJLSOIO-BZSNNMDCSA-N 1 3 331.504 2.762 20 0 EFADHO C[C@@H]1C[C@H](CN(C)Cc2cc3c(cc2OC(F)F)OCO3)CC[NH2+]1 ZINC000414698180 244296646 /nfs/dbraw/zinc/29/66/46/244296646.db2.gz IQOQZSWJUDFKQV-VXGBXAGGSA-N 1 3 342.386 2.837 20 0 EFADHO C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706592 244298954 /nfs/dbraw/zinc/29/89/54/244298954.db2.gz OSLNNCHLYYMVAL-AWEZNQCLSA-N 1 3 331.485 2.530 20 0 EFADHO C[N@H+](Cc1csc2ccccc12)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414706592 244298960 /nfs/dbraw/zinc/29/89/60/244298960.db2.gz OSLNNCHLYYMVAL-AWEZNQCLSA-N 1 3 331.485 2.530 20 0 EFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000414658855 244280937 /nfs/dbraw/zinc/28/09/37/244280937.db2.gz KFQBJDSGFDEOSH-UHFFFAOYSA-N 1 3 346.450 2.650 20 0 EFADHO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703761 244298509 /nfs/dbraw/zinc/29/85/09/244298509.db2.gz VTLZZRRXUVKDKS-FXAWDEMLSA-N 1 3 331.504 2.821 20 0 EFADHO Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703761 244298515 /nfs/dbraw/zinc/29/85/15/244298515.db2.gz VTLZZRRXUVKDKS-FXAWDEMLSA-N 1 3 331.504 2.821 20 0 EFADHO CCOc1ccc(CN2CCN(C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414682566 244288478 /nfs/dbraw/zinc/28/84/78/244288478.db2.gz RMOQGZOXKCRBGC-IEBWSBKVSA-N 1 3 331.504 2.591 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680319 244289568 /nfs/dbraw/zinc/28/95/68/244289568.db2.gz MREITPSZVPIVHU-ZDUSSCGKSA-N 1 3 344.286 2.623 20 0 EFADHO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414680319 244289576 /nfs/dbraw/zinc/28/95/76/244289576.db2.gz MREITPSZVPIVHU-ZDUSSCGKSA-N 1 3 344.286 2.623 20 0 EFADHO CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414728102 244311787 /nfs/dbraw/zinc/31/17/87/244311787.db2.gz CACKOIMXJVXIDL-QWHCGFSZSA-N 1 3 325.403 2.613 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414771887 244338274 /nfs/dbraw/zinc/33/82/74/244338274.db2.gz APDYVFGMMBKSSB-RBUKOAKNSA-N 1 3 342.462 2.892 20 0 EFADHO Clc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000414773598 244339039 /nfs/dbraw/zinc/33/90/39/244339039.db2.gz DOCGNGXAQVFWOT-LSDHHAIUSA-N 1 3 345.878 2.742 20 0 EFADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]1 ZINC000414755074 244326164 /nfs/dbraw/zinc/32/61/64/244326164.db2.gz YPLSISLWQQDKRB-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCC[C@@H](CN(C)CC[NH2+]C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000414764549 244334196 /nfs/dbraw/zinc/33/41/96/244334196.db2.gz YPUKMLAXLZYQST-FUHWJXTLSA-N 1 3 335.540 2.513 20 0 EFADHO c1cc(CN2CCC(NCC[NH2+]C3CCCCCC3)CC2)ccn1 ZINC000414816831 244367798 /nfs/dbraw/zinc/36/77/98/244367798.db2.gz YBROACFZKDINDP-UHFFFAOYSA-N 1 3 330.520 2.948 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414847966 244370081 /nfs/dbraw/zinc/37/00/81/244370081.db2.gz WNGDGPKIQZARKS-NWDGAFQWSA-N 1 3 331.382 2.868 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414771228 244340212 /nfs/dbraw/zinc/34/02/12/244340212.db2.gz QNWNOCAJCQUXBM-BGYRXZFFSA-N 1 3 338.499 2.980 20 0 EFADHO Clc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000414780754 244346118 /nfs/dbraw/zinc/34/61/18/244346118.db2.gz LXSWAFBNFOKMLI-CABCVRRESA-N 1 3 336.863 2.933 20 0 EFADHO Clc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000414780763 244346443 /nfs/dbraw/zinc/34/64/43/244346443.db2.gz LXSWAFBNFOKMLI-HUUCEWRRSA-N 1 3 336.863 2.933 20 0 EFADHO CCOc1c(OC)cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784458 244348111 /nfs/dbraw/zinc/34/81/11/244348111.db2.gz RHUWTVFSOFDLMP-IRXDYDNUSA-N 1 3 348.487 2.924 20 0 EFADHO Oc1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414783223 244348595 /nfs/dbraw/zinc/34/85/95/244348595.db2.gz PQUJKLFTPCRGQD-CHWSQXEVSA-N 1 3 339.277 2.976 20 0 EFADHO c1ccc(C2CCC(C[N@@H+]3CC[C@H](N4CCNCC4)C3)CC2)cc1 ZINC000414788246 244352022 /nfs/dbraw/zinc/35/20/22/244352022.db2.gz NGYRDVZPSOVOEF-MNLRITNHSA-N 1 3 327.516 2.940 20 0 EFADHO c1ccc(C2CCC(C[N@H+]3CC[C@H](N4CCNCC4)C3)CC2)cc1 ZINC000414788246 244352027 /nfs/dbraw/zinc/35/20/27/244352027.db2.gz NGYRDVZPSOVOEF-MNLRITNHSA-N 1 3 327.516 2.940 20 0 EFADHO NC1(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CCC1 ZINC000414871589 244380311 /nfs/dbraw/zinc/38/03/11/244380311.db2.gz DINXUOPYEIPIDD-UHFFFAOYSA-N 1 3 347.466 2.964 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000417215601 245049458 /nfs/dbraw/zinc/04/94/58/245049458.db2.gz NMBFZBLCLSNJQQ-MOPGFXCFSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000417217892 245051178 /nfs/dbraw/zinc/05/11/78/245051178.db2.gz DYUNWUBEOFFPGV-RNIPGJKVSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000262634511 245083044 /nfs/dbraw/zinc/08/30/44/245083044.db2.gz GYMJREMWXNVTNF-QFBILLFUSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000262634511 245083050 /nfs/dbraw/zinc/08/30/50/245083050.db2.gz GYMJREMWXNVTNF-QFBILLFUSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417676753 245086138 /nfs/dbraw/zinc/08/61/38/245086138.db2.gz DUIXUTVONKUNTI-QFBILLFUSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2CCC([NH3+])CC2)CC1 ZINC000417677181 245086207 /nfs/dbraw/zinc/08/62/07/245086207.db2.gz FNQROYBHBCNAHB-FAEJEUNOSA-N 1 3 344.503 2.781 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)Cc1ccccc1)c1ccccc1 ZINC000262637293 245086487 /nfs/dbraw/zinc/08/64/87/245086487.db2.gz IICQQJCCTSQNCZ-VQIMIIECSA-N 1 3 339.483 2.802 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000418118790 245112666 /nfs/dbraw/zinc/11/26/66/245112666.db2.gz UCTISKMYHZNWQR-WDSOQIARSA-N 1 3 348.535 2.567 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000262698406 245128960 /nfs/dbraw/zinc/12/89/60/245128960.db2.gz FVVQYTAMSNBXLM-IBGZPJMESA-N 1 3 333.476 2.926 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418345511 245129624 /nfs/dbraw/zinc/12/96/24/245129624.db2.gz HHSCAANZRWCJJF-JCGIZDLHSA-N 1 3 332.492 2.627 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418342957 245129668 /nfs/dbraw/zinc/12/96/68/245129668.db2.gz JBNIHVCHVNZCJA-QGZVFWFLSA-N 1 3 346.519 2.586 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000262702422 245130056 /nfs/dbraw/zinc/13/00/56/245130056.db2.gz JLEBAJQNHXPRCW-HXUWFJFHSA-N 1 3 347.503 2.541 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000418350136 245131056 /nfs/dbraw/zinc/13/10/56/245131056.db2.gz KVWGYOVHQJTGDG-ROUUACIJSA-N 1 3 332.492 2.641 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418353275 245133632 /nfs/dbraw/zinc/13/36/32/245133632.db2.gz NDLAXQYQLMUELD-OALUTQOASA-N 1 3 346.519 2.936 20 0 EFADHO CCCN(C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000418365434 245136685 /nfs/dbraw/zinc/13/66/85/245136685.db2.gz XMBMGEQLWSEGFP-ROUUACIJSA-N 1 3 332.492 2.593 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418416593 245150273 /nfs/dbraw/zinc/15/02/73/245150273.db2.gz QYKGDXZXCOSKQW-HKUYNNGSSA-N 1 3 346.519 2.666 20 0 EFADHO NC[C@H](NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000418502118 245177750 /nfs/dbraw/zinc/17/77/50/245177750.db2.gz UIZHWAVETQVLMX-KYNGSXCRSA-N 1 3 340.471 2.656 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418525149 245182890 /nfs/dbraw/zinc/18/28/90/245182890.db2.gz XKNZUHJQIFJJIR-UHFFFAOYSA-N 1 3 338.540 2.674 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418531154 245184893 /nfs/dbraw/zinc/18/48/93/245184893.db2.gz AZCUEPPTGVPRNQ-FQEVSTJZSA-N 1 3 346.519 2.586 20 0 EFADHO CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418425754 245153563 /nfs/dbraw/zinc/15/35/63/245153563.db2.gz KKNFZGGKAHKWAP-GOSISDBHSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418430434 245154307 /nfs/dbraw/zinc/15/43/07/245154307.db2.gz URUBDZUJFDDXLG-KRWDZBQOSA-N 1 3 334.508 2.570 20 0 EFADHO CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418432200 245155682 /nfs/dbraw/zinc/15/56/82/245155682.db2.gz YUOIEVWZFVIOTQ-RTBURBONSA-N 1 3 346.519 2.666 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC([NH3+])(CC)CC ZINC000418443626 245160296 /nfs/dbraw/zinc/16/02/96/245160296.db2.gz VKRBBALVTIRFOI-UHFFFAOYSA-N 1 3 334.508 2.797 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418467117 245167620 /nfs/dbraw/zinc/16/76/20/245167620.db2.gz OOHCRPGOCZEPMQ-CVEARBPZSA-N 1 3 340.899 2.759 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418467245 245167910 /nfs/dbraw/zinc/16/79/10/245167910.db2.gz SBURGCNGWZEOAE-MSOLQXFVSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418561226 245193865 /nfs/dbraw/zinc/19/38/65/245193865.db2.gz YAUNLEDYQKPZDB-UHFFFAOYSA-N 1 3 332.492 2.553 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418570017 245198242 /nfs/dbraw/zinc/19/82/42/245198242.db2.gz CREFYDYHVSJEAZ-QZTJIDSGSA-N 1 3 332.492 2.550 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000418591975 245205731 /nfs/dbraw/zinc/20/57/31/245205731.db2.gz CTOLOBOLZTXUNF-HOTGVXAUSA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418536793 245187095 /nfs/dbraw/zinc/18/70/95/245187095.db2.gz JBRPCBOWSCVRRR-LJQANCHMSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418632180 245217872 /nfs/dbraw/zinc/21/78/72/245217872.db2.gz BUPQEHOUOCNSIF-UHFFFAOYSA-N 1 3 344.503 2.590 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418675885 245241060 /nfs/dbraw/zinc/24/10/60/245241060.db2.gz RMQFQSFLBSZBQI-QGZVFWFLSA-N 1 3 346.519 2.810 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418648312 245225214 /nfs/dbraw/zinc/22/52/14/245225214.db2.gz HPRIRJCGQBAZET-SUTQANCOSA-N 1 3 344.503 2.515 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000418648312 245225219 /nfs/dbraw/zinc/22/52/19/245225219.db2.gz HPRIRJCGQBAZET-SUTQANCOSA-N 1 3 344.503 2.515 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000418656863 245230295 /nfs/dbraw/zinc/23/02/95/245230295.db2.gz SYBIJQRFNVPNSE-ZHALLVOQSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000418656863 245230299 /nfs/dbraw/zinc/23/02/99/245230299.db2.gz SYBIJQRFNVPNSE-ZHALLVOQSA-N 1 3 344.503 2.517 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418662749 245235427 /nfs/dbraw/zinc/23/54/27/245235427.db2.gz DTRYIZLBWCLQNA-QAQDUYKDSA-N 1 3 338.540 2.515 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418667243 245236119 /nfs/dbraw/zinc/23/61/19/245236119.db2.gz HCNGZMMRYZKGDD-LJQANCHMSA-N 1 3 346.519 2.984 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000418673488 245239563 /nfs/dbraw/zinc/23/95/63/245239563.db2.gz OBDKLAOGMJDEQJ-QZTJIDSGSA-N 1 3 346.519 2.810 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418721529 245260443 /nfs/dbraw/zinc/26/04/43/245260443.db2.gz MGCZHGMWPAUNCE-ROUUACIJSA-N 1 3 346.519 2.714 20 0 EFADHO CN(C)C1(CN(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCC1 ZINC000418680339 245243648 /nfs/dbraw/zinc/24/36/48/245243648.db2.gz UPCLQODYZQFGTB-KRWDZBQOSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418687147 245246324 /nfs/dbraw/zinc/24/63/24/245246324.db2.gz CYJMJHLDUQTEOI-ZWKOTPCHSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420303285 284266433 /nfs/dbraw/zinc/26/64/33/284266433.db2.gz CQXZQXNDGWSTKH-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@@H](CN)Cc1ccccc1 ZINC000420303285 284266434 /nfs/dbraw/zinc/26/64/34/284266434.db2.gz CQXZQXNDGWSTKH-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CCN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420303285 284266435 /nfs/dbraw/zinc/26/64/35/284266435.db2.gz CQXZQXNDGWSTKH-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000078441261 217052197 /nfs/dbraw/zinc/05/21/97/217052197.db2.gz HYYQRHNUDYFUIF-IBGZPJMESA-N 1 3 346.519 2.581 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000078489907 217062509 /nfs/dbraw/zinc/06/25/09/217062509.db2.gz YAPULFPBFBFISC-UHFFFAOYSA-N 1 3 347.290 2.951 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000079451363 217226578 /nfs/dbraw/zinc/22/65/78/217226578.db2.gz XUZHNZBJLYVBJP-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000111845540 284354406 /nfs/dbraw/zinc/35/44/06/284354406.db2.gz IXZZGNIVQNJTHE-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000111845540 284354407 /nfs/dbraw/zinc/35/44/07/284354407.db2.gz IXZZGNIVQNJTHE-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336624 245630623 /nfs/dbraw/zinc/63/06/23/245630623.db2.gz IYPTUQQNRALIAO-CADBVGFASA-N 1 3 343.515 2.882 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420386626 245662089 /nfs/dbraw/zinc/66/20/89/245662089.db2.gz IYWHDSMTXLJNQT-MOPGFXCFSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828993 296195494 /nfs/dbraw/zinc/19/54/94/296195494.db2.gz RKNBTEZDKUYSDO-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828993 296195495 /nfs/dbraw/zinc/19/54/95/296195495.db2.gz RKNBTEZDKUYSDO-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828993 296195496 /nfs/dbraw/zinc/19/54/96/296195496.db2.gz RKNBTEZDKUYSDO-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828993 296195497 /nfs/dbraw/zinc/19/54/97/296195497.db2.gz RKNBTEZDKUYSDO-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111439175 220154676 /nfs/dbraw/zinc/15/46/76/220154676.db2.gz DUWQZIAFKPDFCC-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264118672 246081849 /nfs/dbraw/zinc/08/18/49/246081849.db2.gz CKFPYHLHMBRAHZ-QGZVFWFLSA-N 1 3 329.488 2.887 20 0 EFADHO COc1ccc([C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c(F)c1 ZINC000421857812 246139785 /nfs/dbraw/zinc/13/97/85/246139785.db2.gz QGJQCJZVHUNTNF-LJQANCHMSA-N 1 3 349.494 2.901 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000264268915 246268314 /nfs/dbraw/zinc/26/83/14/246268314.db2.gz OIFCXMSHGUVXBI-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000422567041 246388261 /nfs/dbraw/zinc/38/82/61/246388261.db2.gz VPQCFSXVNNWARG-AWEZNQCLSA-N 1 3 344.381 2.722 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1csc(-c2ccccc2)n1 ZINC000422782682 246458594 /nfs/dbraw/zinc/45/85/94/246458594.db2.gz KAAXLVBQFVNEOG-IAOVAPTHSA-N 1 3 331.485 2.695 20 0 EFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422950562 246524143 /nfs/dbraw/zinc/52/41/43/246524143.db2.gz YJJMOLILXZAWHG-IPMKNSEASA-N 1 3 332.488 2.720 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986072 246535126 /nfs/dbraw/zinc/53/51/26/246535126.db2.gz BHOYPNRWUHIFHV-JLJPHGGASA-N 1 3 344.421 2.964 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423182665 246592692 /nfs/dbraw/zinc/59/26/92/246592692.db2.gz QYRSAJNNQYENBX-HNNXBMFYSA-N 1 3 330.501 2.756 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC[C@@H](C(=O)OC)c2ccccc2)[C@H](C)C1 ZINC000425414225 247075186 /nfs/dbraw/zinc/07/51/86/247075186.db2.gz ICWXYGXDGZWPCS-QRQLOZEOSA-N 1 3 332.488 2.995 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC[C@@H](C(=O)OC)c2ccccc2)[C@H](C)C1 ZINC000425414225 247075187 /nfs/dbraw/zinc/07/51/87/247075187.db2.gz ICWXYGXDGZWPCS-QRQLOZEOSA-N 1 3 332.488 2.995 20 0 EFADHO CC(C)CN1CCCC[C@H]1CNCc1cc(C2CC[NH2+]CC2)no1 ZINC000425896034 247207657 /nfs/dbraw/zinc/20/76/57/247207657.db2.gz MQOGDASZBNDZRT-KRWDZBQOSA-N 1 3 334.508 2.742 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[C@@H]2C1 ZINC000425684056 247166834 /nfs/dbraw/zinc/16/68/34/247166834.db2.gz XDRRYILHLQDWSV-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000265180159 247275610 /nfs/dbraw/zinc/27/56/10/247275610.db2.gz GLZJLVCWXQDRDN-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000427277839 247332201 /nfs/dbraw/zinc/33/22/01/247332201.db2.gz ZQMLLHLJJYEHHK-KRWDZBQOSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000427271568 247332473 /nfs/dbraw/zinc/33/24/73/247332473.db2.gz AEXOYPJZNNMZIF-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000427283062 247332963 /nfs/dbraw/zinc/33/29/63/247332963.db2.gz VRSPYPRCVCHOGT-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO CCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000427286273 247335180 /nfs/dbraw/zinc/33/51/80/247335180.db2.gz DTCDMARUVMIEEC-LNLFQRSKSA-N 1 3 329.488 2.670 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000427304714 247336170 /nfs/dbraw/zinc/33/61/70/247336170.db2.gz MTYZIBKUMKNIRP-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000427333101 247339141 /nfs/dbraw/zinc/33/91/41/247339141.db2.gz XFHFGIRYEBOVAK-IAGOWNOFSA-N 1 3 349.544 2.856 20 0 EFADHO O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332403 247339727 /nfs/dbraw/zinc/33/97/27/247339727.db2.gz UEBXAZSPCVUYDQ-FPOVZHCZSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300343 248040007 /nfs/dbraw/zinc/04/00/07/248040007.db2.gz DOGXWRRLYZNIHL-IXDOHACOSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300343 248040010 /nfs/dbraw/zinc/04/00/10/248040010.db2.gz DOGXWRRLYZNIHL-IXDOHACOSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](N)[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433510002 248068201 /nfs/dbraw/zinc/06/82/01/248068201.db2.gz LSCDBHGBMRPJDJ-ZYSHUDEJSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@H](N)[C@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000433510002 248068205 /nfs/dbraw/zinc/06/82/05/248068205.db2.gz LSCDBHGBMRPJDJ-ZYSHUDEJSA-N 1 3 329.488 2.772 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433913559 248101890 /nfs/dbraw/zinc/10/18/90/248101890.db2.gz DLZZXYQFXRANMK-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000433913559 248101893 /nfs/dbraw/zinc/10/18/93/248101893.db2.gz DLZZXYQFXRANMK-HKUYNNGSSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000433913562 248100992 /nfs/dbraw/zinc/10/09/92/248100992.db2.gz DLZZXYQFXRANMK-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000433913562 248100994 /nfs/dbraw/zinc/10/09/94/248100994.db2.gz DLZZXYQFXRANMK-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000434358603 248146828 /nfs/dbraw/zinc/14/68/28/248146828.db2.gz RBZGYFUADORKRM-GOSISDBHSA-N 1 3 336.524 2.615 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000434675301 248177346 /nfs/dbraw/zinc/17/73/46/248177346.db2.gz KYQHRPXABIPHLE-MAUKXSAKSA-N 1 3 331.504 2.703 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433952390 248106699 /nfs/dbraw/zinc/10/66/99/248106699.db2.gz FKXPRFRFTRVPBF-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CCCc1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000435370966 248231319 /nfs/dbraw/zinc/23/13/19/248231319.db2.gz KPHJDNYCHVVRTQ-VQTJNVASSA-N 1 3 343.515 2.719 20 0 EFADHO COc1cc(CN2CCC(C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000435383700 248233893 /nfs/dbraw/zinc/23/38/93/248233893.db2.gz ILMLADJIYGLVMF-UHFFFAOYSA-N 1 3 332.366 2.807 20 0 EFADHO C[N@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCNCC1 ZINC000435612183 249385174 /nfs/dbraw/zinc/38/51/74/249385174.db2.gz VXRXXZKMXRYJKZ-SFHVURJKSA-N 1 3 342.491 2.584 20 0 EFADHO C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)[C@H]1CCCNCC1 ZINC000435612183 249385179 /nfs/dbraw/zinc/38/51/79/249385179.db2.gz VXRXXZKMXRYJKZ-SFHVURJKSA-N 1 3 342.491 2.584 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000436306770 249497771 /nfs/dbraw/zinc/49/77/71/249497771.db2.gz IQKFCPNTUUIOIO-WRWLIDTKSA-N 1 3 329.488 2.622 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000441355720 250024340 /nfs/dbraw/zinc/02/43/40/250024340.db2.gz ZFHZBYVDTZMZEA-UHFFFAOYSA-N 1 3 345.409 2.701 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442754283 250112894 /nfs/dbraw/zinc/11/28/94/250112894.db2.gz HZAGAULMYDORAN-KBPBESRZSA-N 1 3 332.423 2.786 20 0 EFADHO COC1([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCC1 ZINC000421825730 284747200 /nfs/dbraw/zinc/74/72/00/284747200.db2.gz OYZSCBMWOCGBQL-SFHVURJKSA-N 1 3 346.519 2.531 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443053813 250153592 /nfs/dbraw/zinc/15/35/92/250153592.db2.gz BOITWDRWDZVFKO-SFHVURJKSA-N 1 3 331.504 2.794 20 0 EFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443056533 250154953 /nfs/dbraw/zinc/15/49/53/250154953.db2.gz CVXXRAOEEJSYCU-KRWDZBQOSA-N 1 3 347.503 2.543 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443060726 250155593 /nfs/dbraw/zinc/15/55/93/250155593.db2.gz PSUBMOYKBKNMIM-UONOGXRCSA-N 1 3 339.430 2.545 20 0 EFADHO [NH3+]CC[C@@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000443058309 250155661 /nfs/dbraw/zinc/15/56/61/250155661.db2.gz JYNRTNFZLUAKQN-PKOBYXMFSA-N 1 3 329.488 2.801 20 0 EFADHO [NH3+]CC[C@H]1CCCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000443073079 250157025 /nfs/dbraw/zinc/15/70/25/250157025.db2.gz OKBSUKZVTIGNCQ-HXUWFJFHSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000443635883 250215055 /nfs/dbraw/zinc/21/50/55/250215055.db2.gz ZKHSBQSXGHGAFA-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000443635883 250215057 /nfs/dbraw/zinc/21/50/57/250215057.db2.gz ZKHSBQSXGHGAFA-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000444164936 250267428 /nfs/dbraw/zinc/26/74/28/250267428.db2.gz GUUJZLDDRMUBBL-HUUCEWRRSA-N 1 3 343.393 2.566 20 0 EFADHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH2+]1)Cc1ccccc1 ZINC000444264493 250277855 /nfs/dbraw/zinc/27/78/55/250277855.db2.gz JLIXPQXWAYMPFK-HXUWFJFHSA-N 1 3 337.467 2.509 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000416841713 284768187 /nfs/dbraw/zinc/76/81/87/284768187.db2.gz MMXLJUCDOGEHKT-ROUUACIJSA-N 1 3 332.492 2.592 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1cccc(OC)c1 ZINC000342765802 284821359 /nfs/dbraw/zinc/82/13/59/284821359.db2.gz QJOJOFONQMDLTL-AYOQOUSVSA-N 1 3 347.503 2.582 20 0 EFADHO Cn1cc(CN2CCC(C[NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449009103 250877485 /nfs/dbraw/zinc/87/74/85/250877485.db2.gz GVIUOFOOBUKJLR-UHFFFAOYSA-N 1 3 330.451 3.000 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000449226004 250959717 /nfs/dbraw/zinc/95/97/17/250959717.db2.gz PVCACLUZYOBGJS-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000449499877 251045095 /nfs/dbraw/zinc/04/50/95/251045095.db2.gz MLPNZXRJIGLVEP-YLJYHZDGSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000449499877 251045100 /nfs/dbraw/zinc/04/51/00/251045100.db2.gz MLPNZXRJIGLVEP-YLJYHZDGSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449554508 251062932 /nfs/dbraw/zinc/06/29/32/251062932.db2.gz BUSBTQMCGMWHSG-IHWFROFDSA-N 1 3 342.531 2.543 20 0 EFADHO CCN1CCN(c2ccccc2CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449554508 251062937 /nfs/dbraw/zinc/06/29/37/251062937.db2.gz BUSBTQMCGMWHSG-IHWFROFDSA-N 1 3 342.531 2.543 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000449559954 251065051 /nfs/dbraw/zinc/06/50/51/251065051.db2.gz DMAQITQDNPKJMX-HZTRTUMWSA-N 1 3 331.460 2.627 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000449559954 251065054 /nfs/dbraw/zinc/06/50/54/251065054.db2.gz DMAQITQDNPKJMX-HZTRTUMWSA-N 1 3 331.460 2.627 20 0 EFADHO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449641072 251089891 /nfs/dbraw/zinc/08/98/91/251089891.db2.gz UJNAGMLCDNOKDD-AZUAARDMSA-N 1 3 333.520 2.856 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@H](C)C1 ZINC000449657929 251100554 /nfs/dbraw/zinc/10/05/54/251100554.db2.gz RJZVNCGPBIXIPP-MDMSPXHWSA-N 1 3 334.508 2.700 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@H](C)C1 ZINC000449657929 251100556 /nfs/dbraw/zinc/10/05/56/251100556.db2.gz RJZVNCGPBIXIPP-MDMSPXHWSA-N 1 3 334.508 2.700 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000449727585 251131701 /nfs/dbraw/zinc/13/17/01/251131701.db2.gz QQWOKYWILLVPEO-AHRSYUTCSA-N 1 3 343.515 2.573 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000449786652 251155014 /nfs/dbraw/zinc/15/50/14/251155014.db2.gz PESKXXNAAYLPQO-HXUWFJFHSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000449786652 251155017 /nfs/dbraw/zinc/15/50/17/251155017.db2.gz PESKXXNAAYLPQO-HXUWFJFHSA-N 1 3 344.547 2.743 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000449851470 251176674 /nfs/dbraw/zinc/17/66/74/251176674.db2.gz VRSKWWTZIYXQNB-QFBILLFUSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000449851470 251176678 /nfs/dbraw/zinc/17/66/78/251176678.db2.gz VRSKWWTZIYXQNB-QFBILLFUSA-N 1 3 333.520 2.917 20 0 EFADHO COCC[NH+]1CCC(Nc2ccnc3ccc(OC(C)C)cc32)CC1 ZINC000450273584 251324082 /nfs/dbraw/zinc/32/40/82/251324082.db2.gz CONOFCVHGIYHHH-UHFFFAOYSA-N 1 3 343.471 2.967 20 0 EFADHO CC(C)Oc1ccc2nccc(N3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000450301025 251336386 /nfs/dbraw/zinc/33/63/86/251336386.db2.gz DYOYJFFCRIQDTF-UHFFFAOYSA-N 1 3 343.471 2.915 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCCS(C)(=O)=O)CC1 ZINC000373460857 296329210 /nfs/dbraw/zinc/32/92/10/296329210.db2.gz KXWOXEXSVXDMAE-AEFFLSMTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000373460857 296329213 /nfs/dbraw/zinc/32/92/13/296329213.db2.gz KXWOXEXSVXDMAE-AEFFLSMTSA-N 1 3 344.565 2.834 20 0 EFADHO CN(c1ccccc1C[NH2+]CCc1ccncc1)C1CCN(C)CC1 ZINC000268681591 252136197 /nfs/dbraw/zinc/13/61/97/252136197.db2.gz OIAZRWHDSNMTGM-UHFFFAOYSA-N 1 3 338.499 2.944 20 0 EFADHO CO[C@@H](C)[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268780840 252230474 /nfs/dbraw/zinc/23/04/74/252230474.db2.gz DDIMJBXNYLBUOO-MOPGFXCFSA-N 1 3 333.520 2.597 20 0 EFADHO O[C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CCCC1 ZINC000268805416 252258929 /nfs/dbraw/zinc/25/89/29/252258929.db2.gz CJDKCWHCEDPENO-BBRMVZONSA-N 1 3 344.377 2.619 20 0 EFADHO CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)c1cnn(C)c1 ZINC000268848397 252295951 /nfs/dbraw/zinc/29/59/51/252295951.db2.gz FGKFKXNQHAPILV-LJQANCHMSA-N 1 3 330.476 2.644 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000268825448 252276386 /nfs/dbraw/zinc/27/63/86/252276386.db2.gz IUPQRCLWVOFIJA-JKSUJKDBSA-N 1 3 341.293 2.947 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000268840411 252289079 /nfs/dbraw/zinc/28/90/79/252289079.db2.gz NKHOFKDBBMXQOS-ZBFHGGJFSA-N 1 3 328.403 2.785 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2cccn2)cc1 ZINC000268850194 252299097 /nfs/dbraw/zinc/29/90/97/252299097.db2.gz FUVQOQHJSAYBDQ-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268877138 252325980 /nfs/dbraw/zinc/32/59/80/252325980.db2.gz LWFHBKBAEWCOSC-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268877138 252325982 /nfs/dbraw/zinc/32/59/82/252325982.db2.gz LWFHBKBAEWCOSC-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H](CN[C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000268877835 252326019 /nfs/dbraw/zinc/32/60/19/252326019.db2.gz QQSUROHUZPRQCC-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)CN1CCCC1 ZINC000268877835 252326021 /nfs/dbraw/zinc/32/60/21/252326021.db2.gz QQSUROHUZPRQCC-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1)C1CC1 ZINC000343549814 285097320 /nfs/dbraw/zinc/09/73/20/285097320.db2.gz URGXUIDOUWJTRS-NRFANRHFSA-N 1 3 341.499 2.887 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097428378 219023390 /nfs/dbraw/zinc/02/33/90/219023390.db2.gz FXDLJJCWERDUDP-HDICACEKSA-N 1 3 340.556 2.584 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000097428378 219023392 /nfs/dbraw/zinc/02/33/92/219023392.db2.gz FXDLJJCWERDUDP-HDICACEKSA-N 1 3 340.556 2.584 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000153735228 224149682 /nfs/dbraw/zinc/14/96/82/224149682.db2.gz QDBFWKHZMGHADO-OAHLLOKOSA-N 1 3 348.491 2.589 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000153735228 224149685 /nfs/dbraw/zinc/14/96/85/224149685.db2.gz QDBFWKHZMGHADO-OAHLLOKOSA-N 1 3 348.491 2.589 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccs1 ZINC000265591414 285279453 /nfs/dbraw/zinc/27/94/53/285279453.db2.gz ATAMLHCNBAWIST-HOTGVXAUSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccs1 ZINC000265591414 285279456 /nfs/dbraw/zinc/27/94/56/285279456.db2.gz ATAMLHCNBAWIST-HOTGVXAUSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000337460682 285279477 /nfs/dbraw/zinc/27/94/77/285279477.db2.gz LWIZYXFABQPLJB-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000337460682 285279479 /nfs/dbraw/zinc/27/94/79/285279479.db2.gz LWIZYXFABQPLJB-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)cc(OC)c1 ZINC000349037490 285281868 /nfs/dbraw/zinc/28/18/68/285281868.db2.gz SPKDMMXYDDQCAL-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(OC)cc(OC)c1 ZINC000349037490 285281870 /nfs/dbraw/zinc/28/18/70/285281870.db2.gz SPKDMMXYDDQCAL-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1C1CCCC1 ZINC000449325397 285282363 /nfs/dbraw/zinc/28/23/63/285282363.db2.gz MLLMFRVZIWGTSY-IBGZPJMESA-N 1 3 347.551 2.846 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccnn1C1CCCC1 ZINC000449325397 285282365 /nfs/dbraw/zinc/28/23/65/285282365.db2.gz MLLMFRVZIWGTSY-IBGZPJMESA-N 1 3 347.551 2.846 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116418392 220961217 /nfs/dbraw/zinc/96/12/17/220961217.db2.gz NPFIGLCIXDZPHJ-SFHVURJKSA-N 1 3 348.535 2.914 20 0 EFADHO CN(C)CCN(C(=O)NCC1([NH+](C)C)CCCCC1)C1CCCC1 ZINC000468336967 256015549 /nfs/dbraw/zinc/01/55/49/256015549.db2.gz HZXPDQDDIMQXNI-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000468354928 256015854 /nfs/dbraw/zinc/01/58/54/256015854.db2.gz AFJUQENTDRABRN-IBGZPJMESA-N 1 3 348.535 2.971 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(CC)CCC[NH+](C)C)N(C)C)cc1 ZINC000468445867 256016595 /nfs/dbraw/zinc/01/65/95/256016595.db2.gz CCJHTXBDSCIWKO-IBGZPJMESA-N 1 3 348.535 2.835 20 0 EFADHO CC1CCN(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000118772334 221180497 /nfs/dbraw/zinc/18/04/97/221180497.db2.gz HATQMXGDFFQIFD-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119172499 221259694 /nfs/dbraw/zinc/25/96/94/221259694.db2.gz OUTASBYUHCXCHK-HQSKLWIPSA-N 1 3 329.488 2.672 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000119172499 221259698 /nfs/dbraw/zinc/25/96/98/221259698.db2.gz OUTASBYUHCXCHK-HQSKLWIPSA-N 1 3 329.488 2.672 20 0 EFADHO COC[C@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000353390034 285399299 /nfs/dbraw/zinc/39/92/99/285399299.db2.gz SRPUIUAJUBHQGZ-MSOLQXFVSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000353390034 285399302 /nfs/dbraw/zinc/39/93/02/285399302.db2.gz SRPUIUAJUBHQGZ-MSOLQXFVSA-N 1 3 340.895 2.854 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000164577769 533605321 /nfs/dbraw/zinc/60/53/21/533605321.db2.gz LKVNELMNOAUCTI-WMLDXEAASA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000164577769 533605328 /nfs/dbraw/zinc/60/53/28/533605328.db2.gz LKVNELMNOAUCTI-WMLDXEAASA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168666203 533647340 /nfs/dbraw/zinc/64/73/40/533647340.db2.gz UXUCNNQHTZFVGP-WBVHZDCISA-N 1 3 349.544 2.847 20 0 EFADHO COc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000154754332 533662103 /nfs/dbraw/zinc/66/21/03/533662103.db2.gz IPCVTNCEEXRZKP-UHFFFAOYSA-N 1 3 348.487 2.651 20 0 EFADHO CCCn1nc(C)c(CN2CC[C@@H](OCC[NH+](CC)CC)C2)c1C ZINC000354085155 146628239 /nfs/dbraw/zinc/62/82/39/146628239.db2.gz URPHFJKNCIOZJK-GOSISDBHSA-N 1 3 336.524 2.843 20 0 EFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1F ZINC000108992373 141360524 /nfs/dbraw/zinc/36/05/24/141360524.db2.gz PRZPBQGHRCWUFT-HNNXBMFYSA-N 1 3 347.478 2.604 20 0 EFADHO C[C@]1(CCCO)CCCN1CCC[N@@H+]1CCC[C@]1(C)CCCO ZINC000345924709 142118897 /nfs/dbraw/zinc/11/88/97/142118897.db2.gz HTBYJQBFFJKGJF-RTBURBONSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@]1(CCCO)CCCN1CCC[N@H+]1CCC[C@]1(C)CCCO ZINC000345924709 142118898 /nfs/dbraw/zinc/11/88/98/142118898.db2.gz HTBYJQBFFJKGJF-RTBURBONSA-N 1 3 326.525 2.631 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000346034938 142137032 /nfs/dbraw/zinc/13/70/32/142137032.db2.gz KCYKDLPFZPQZRP-PKOBYXMFSA-N 1 3 348.535 2.782 20 0 EFADHO CC[N@H+](CCNC(=O)c1oc2ccccc2c1CN(C)C)C(C)C ZINC000346123692 142150403 /nfs/dbraw/zinc/15/04/03/142150403.db2.gz NKBVPLKZNRWWDB-UHFFFAOYSA-N 1 3 331.460 2.955 20 0 EFADHO CC[N@@H+](CCNC(=O)c1oc2ccccc2c1CN(C)C)C(C)C ZINC000346123692 142150405 /nfs/dbraw/zinc/15/04/05/142150405.db2.gz NKBVPLKZNRWWDB-UHFFFAOYSA-N 1 3 331.460 2.955 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347456001 142219743 /nfs/dbraw/zinc/21/97/43/142219743.db2.gz VRFIPDXKYLRRRK-IAGOWNOFSA-N 1 3 344.503 2.629 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCN1CCCC1 ZINC000347736616 142264575 /nfs/dbraw/zinc/26/45/75/142264575.db2.gz HPQCPBKMFRSURB-UHFFFAOYSA-N 1 3 346.427 2.804 20 0 EFADHO c1ccc2c(c1)CC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000347902790 142290405 /nfs/dbraw/zinc/29/04/05/142290405.db2.gz GPJUMKBNRJSTFM-OAQYLSRUSA-N 1 3 336.483 2.871 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)n(C)c2)c1 ZINC000347996877 142306236 /nfs/dbraw/zinc/30/62/36/142306236.db2.gz BTFVXIJNTFPJKW-UHFFFAOYSA-N 1 3 329.444 2.553 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)n(C)c2)c1 ZINC000347996877 142306238 /nfs/dbraw/zinc/30/62/38/142306238.db2.gz BTFVXIJNTFPJKW-UHFFFAOYSA-N 1 3 329.444 2.553 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000349607882 142339961 /nfs/dbraw/zinc/33/99/61/142339961.db2.gz DPKZDXTWDMGKPG-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349607882 142339962 /nfs/dbraw/zinc/33/99/62/142339962.db2.gz DPKZDXTWDMGKPG-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000349629888 142342187 /nfs/dbraw/zinc/34/21/87/142342187.db2.gz JEEMYVWSSDGSIO-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@@H]2NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000349827587 142364655 /nfs/dbraw/zinc/36/46/55/142364655.db2.gz JOTTWVCLSVBUOX-HKUYNNGSSA-N 1 3 343.515 2.858 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@@H]2NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000349827587 142364656 /nfs/dbraw/zinc/36/46/56/142364656.db2.gz JOTTWVCLSVBUOX-HKUYNNGSSA-N 1 3 343.515 2.858 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349933392 142380151 /nfs/dbraw/zinc/38/01/51/142380151.db2.gz DUWLDNCRKWOCTB-IBGZPJMESA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000349953218 142382984 /nfs/dbraw/zinc/38/29/84/142382984.db2.gz UIFGSFNFFOLRSW-CVEARBPZSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000349953218 142382987 /nfs/dbraw/zinc/38/29/87/142382987.db2.gz UIFGSFNFFOLRSW-CVEARBPZSA-N 1 3 338.540 2.669 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@H]1C ZINC000341143748 145000498 /nfs/dbraw/zinc/00/04/98/145000498.db2.gz VTXDBVJBHIPFBC-WBVHZDCISA-N 1 3 334.460 2.543 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@H]1C ZINC000341143748 145000499 /nfs/dbraw/zinc/00/04/99/145000499.db2.gz VTXDBVJBHIPFBC-WBVHZDCISA-N 1 3 334.460 2.543 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341153900 145002662 /nfs/dbraw/zinc/00/26/62/145002662.db2.gz CZZUTMDGLCANTN-IEBWSBKVSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341153900 145002663 /nfs/dbraw/zinc/00/26/63/145002663.db2.gz CZZUTMDGLCANTN-IEBWSBKVSA-N 1 3 325.541 2.540 20 0 EFADHO COc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000341261133 145022006 /nfs/dbraw/zinc/02/20/06/145022006.db2.gz AOSSCEBLENYMSN-UHFFFAOYSA-N 1 3 341.455 2.853 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000341271608 145024047 /nfs/dbraw/zinc/02/40/47/145024047.db2.gz OMRNWRIZOZTOKX-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000341271608 145024048 /nfs/dbraw/zinc/02/40/48/145024048.db2.gz OMRNWRIZOZTOKX-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C)CC(C)C ZINC000341304594 145029625 /nfs/dbraw/zinc/02/96/25/145029625.db2.gz VFKLETQOGIOPPX-NJAFHUGGSA-N 1 3 338.540 2.525 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341333014 145035102 /nfs/dbraw/zinc/03/51/02/145035102.db2.gz YHCPXYZITFGBKV-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341333014 145035106 /nfs/dbraw/zinc/03/51/06/145035106.db2.gz YHCPXYZITFGBKV-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000341357690 145038687 /nfs/dbraw/zinc/03/86/87/145038687.db2.gz BESRUZWXBCXGOL-QZTJIDSGSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C[C@@H]1CN(Cc2ccccc2)CCCO1)CC1([NH+](C)C)CCC1 ZINC000342120306 145066006 /nfs/dbraw/zinc/06/60/06/145066006.db2.gz FGIUDMMMJXGXRC-HXUWFJFHSA-N 1 3 345.531 2.694 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H](CO)C2)CC1 ZINC000342237213 145085706 /nfs/dbraw/zinc/08/57/06/145085706.db2.gz CFMGHUGNZGAIMN-MOPGFXCFSA-N 1 3 345.531 2.717 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC000342686559 145172339 /nfs/dbraw/zinc/17/23/39/145172339.db2.gz AOUZTHHLOFITHD-APWZRJJASA-N 1 3 343.515 2.783 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC000342686576 145172452 /nfs/dbraw/zinc/17/24/52/145172452.db2.gz AOUZTHHLOFITHD-VQIMIIECSA-N 1 3 343.515 2.783 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000342693893 145173820 /nfs/dbraw/zinc/17/38/20/145173820.db2.gz FBTMOISCENEQQI-QXAKKESOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000342697600 145174102 /nfs/dbraw/zinc/17/41/02/145174102.db2.gz SJHNEOSAMXLUTA-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342699158 145175087 /nfs/dbraw/zinc/17/50/87/145175087.db2.gz VDFQLNGNELRQGN-FCEWJHQRSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C[C@H](C)O1 ZINC000342725723 145180110 /nfs/dbraw/zinc/18/01/10/145180110.db2.gz IHUHYTRYFYSQPS-IYBDPMFKSA-N 1 3 334.508 2.753 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cnc(C(C)(C)C)nc2)C[C@H](C)O1 ZINC000342725716 145180194 /nfs/dbraw/zinc/18/01/94/145180194.db2.gz IHUHYTRYFYSQPS-HOTGVXAUSA-N 1 3 334.508 2.753 20 0 EFADHO C[C@H]1CCCCN1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342761002 145186688 /nfs/dbraw/zinc/18/66/88/145186688.db2.gz WWWDOCIAWIDJBD-KRWDZBQOSA-N 1 3 343.515 2.833 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342964345 145231179 /nfs/dbraw/zinc/23/11/79/145231179.db2.gz DXZLJCYWLNTIMS-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC[C@@H](C)C1 ZINC000342964345 145231181 /nfs/dbraw/zinc/23/11/81/145231181.db2.gz DXZLJCYWLNTIMS-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1)CC1CC1 ZINC000343591733 145247114 /nfs/dbraw/zinc/24/71/14/145247114.db2.gz ZMAUVEHZYWXVKD-OYRHEFFESA-N 1 3 349.563 2.684 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1)CC1CC1 ZINC000343591733 145247117 /nfs/dbraw/zinc/24/71/17/145247117.db2.gz ZMAUVEHZYWXVKD-OYRHEFFESA-N 1 3 349.563 2.684 20 0 EFADHO Cc1cccc2ncc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)n21 ZINC000343810541 145300232 /nfs/dbraw/zinc/30/02/32/145300232.db2.gz OYAOJJIRKOMKRC-IRXDYDNUSA-N 1 3 330.476 2.622 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348866738 146016272 /nfs/dbraw/zinc/01/62/72/146016272.db2.gz HAPZQRKTILQVDB-TZIWHRDSSA-N 1 3 346.515 2.849 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348866735 146016499 /nfs/dbraw/zinc/01/64/99/146016499.db2.gz HAPZQRKTILQVDB-CTNGQTDRSA-N 1 3 346.515 2.849 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000349060045 146044850 /nfs/dbraw/zinc/04/48/50/146044850.db2.gz DVAZXSZJNMZFCV-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CCCn1nc(C)c(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000349065079 146046344 /nfs/dbraw/zinc/04/63/44/146046344.db2.gz XGJGKWZLHWCQNA-LJQANCHMSA-N 1 3 349.567 2.758 20 0 EFADHO CCCn1nc(C)c(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1C ZINC000349065079 146046346 /nfs/dbraw/zinc/04/63/46/146046346.db2.gz XGJGKWZLHWCQNA-LJQANCHMSA-N 1 3 349.567 2.758 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C(C)(C)C)nc1 ZINC000349075457 146048206 /nfs/dbraw/zinc/04/82/06/146048206.db2.gz OJRLTXUZYCAWOC-GOSISDBHSA-N 1 3 347.551 2.622 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cnc(C(C)(C)C)nc1 ZINC000349075457 146048207 /nfs/dbraw/zinc/04/82/07/146048207.db2.gz OJRLTXUZYCAWOC-GOSISDBHSA-N 1 3 347.551 2.622 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000349122189 146056012 /nfs/dbraw/zinc/05/60/12/146056012.db2.gz YJQRPPZIQWJHTO-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000349122189 146056013 /nfs/dbraw/zinc/05/60/13/146056013.db2.gz YJQRPPZIQWJHTO-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCc1oc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000349192840 146064374 /nfs/dbraw/zinc/06/43/74/146064374.db2.gz PSYPMZOATFGMOU-HNNXBMFYSA-N 1 3 334.460 2.792 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351060377 146108778 /nfs/dbraw/zinc/10/87/78/146108778.db2.gz DOFRZAQBYHYJPG-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351060377 146108780 /nfs/dbraw/zinc/10/87/80/146108780.db2.gz DOFRZAQBYHYJPG-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000351472601 146126055 /nfs/dbraw/zinc/12/60/55/146126055.db2.gz BEPKQMWGXCEBFM-ZMSDIMECSA-N 1 3 344.434 2.786 20 0 EFADHO C[N@H+](C[C@@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000351487525 146128578 /nfs/dbraw/zinc/12/85/78/146128578.db2.gz CFJPFQROGAKGRM-HXUWFJFHSA-N 1 3 344.499 2.821 20 0 EFADHO C[N@@H+](C[C@@H](O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C1CC1 ZINC000351487525 146128581 /nfs/dbraw/zinc/12/85/81/146128581.db2.gz CFJPFQROGAKGRM-HXUWFJFHSA-N 1 3 344.499 2.821 20 0 EFADHO Cc1ccc(-c2noc(CCCN3CC[C@@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000351850594 146218067 /nfs/dbraw/zinc/21/80/67/146218067.db2.gz JFBRUHYGILPVRR-UKRRQHHQSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352076870 146283663 /nfs/dbraw/zinc/28/36/63/146283663.db2.gz LXHIUAVNPFYINA-QFBILLFUSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000352086045 146285651 /nfs/dbraw/zinc/28/56/51/146285651.db2.gz YUCUZTWDYWZKGF-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352130000 146296812 /nfs/dbraw/zinc/29/68/12/146296812.db2.gz FCPABDMCGFFAMC-HZPDHXFCSA-N 1 3 345.487 2.979 20 0 EFADHO CC1CC[NH+](CCCCNCc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352130849 146297657 /nfs/dbraw/zinc/29/76/57/146297657.db2.gz LRPWSIVMRFUTNE-UHFFFAOYSA-N 1 3 331.460 2.733 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1CC[NH+](C)CC1)N(C)C ZINC000352827617 146326782 /nfs/dbraw/zinc/32/67/82/146326782.db2.gz MDPKOUNXEYIEQA-LPHOPBHVSA-N 1 3 346.519 2.627 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000352910847 146347327 /nfs/dbraw/zinc/34/73/27/146347327.db2.gz PLIHBFHOZQEYSC-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000352910847 146347328 /nfs/dbraw/zinc/34/73/28/146347328.db2.gz PLIHBFHOZQEYSC-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000355579080 147002543 /nfs/dbraw/zinc/00/25/43/147002543.db2.gz GJIOQHQVMUXHLK-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1)C(C)C ZINC000355783004 147062131 /nfs/dbraw/zinc/06/21/31/147062131.db2.gz YFMBZMSIHQRWED-ZWKOTPCHSA-N 1 3 340.556 2.867 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000356057183 147134314 /nfs/dbraw/zinc/13/43/14/147134314.db2.gz IOTTVJGUHIDLCI-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@@H]1CCOc2c(NC(=O)C34CCC[NH+]3CCC4)cccc21 ZINC000356059374 147135957 /nfs/dbraw/zinc/13/59/57/147135957.db2.gz WQNGEXQHKNAOBE-MRXNPFEDSA-N 1 3 329.444 2.639 20 0 EFADHO CC(C)[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCC1 ZINC000356180416 147169221 /nfs/dbraw/zinc/16/92/21/147169221.db2.gz JVKANNIVVROHFQ-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000356180802 147169278 /nfs/dbraw/zinc/16/92/78/147169278.db2.gz KSYMFDRJKZEUFT-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO NC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000356894767 147365974 /nfs/dbraw/zinc/36/59/74/147365974.db2.gz JZGXKURVANDLRG-DRRJLQACSA-N 1 3 341.499 2.531 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359221684 148027039 /nfs/dbraw/zinc/02/70/39/148027039.db2.gz HQQMLPHISNGOHH-DOTOQJQBSA-N 1 3 344.503 2.652 20 0 EFADHO COc1ccc(NC(=O)CCN(CCC[NH3+])Cc2ccccc2)cc1 ZINC000359294711 148048677 /nfs/dbraw/zinc/04/86/77/148048677.db2.gz AMYPOOPCJHWXPL-UHFFFAOYSA-N 1 3 341.455 2.875 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H](CCO)C3CCOCC3)CC2)C1 ZINC000359401349 148076024 /nfs/dbraw/zinc/07/60/24/148076024.db2.gz SOOIVCDJZIWLRO-NSISKUIASA-N 1 3 338.536 2.797 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCCC2)[C@H](C)C1 ZINC000359608027 148137383 /nfs/dbraw/zinc/13/73/83/148137383.db2.gz RQXDDYDWCBOEOJ-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000359723825 148171779 /nfs/dbraw/zinc/17/17/79/148171779.db2.gz BNIYRLJICJHUPO-XDWAVFMPSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000359723825 148171781 /nfs/dbraw/zinc/17/17/81/148171781.db2.gz BNIYRLJICJHUPO-XDWAVFMPSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000359723825 148171782 /nfs/dbraw/zinc/17/17/82/148171782.db2.gz BNIYRLJICJHUPO-XDWAVFMPSA-N 1 3 326.484 2.814 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000359894879 148217829 /nfs/dbraw/zinc/21/78/29/148217829.db2.gz GXDLQDIJPMFPIU-JBACZVJFSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000359894879 148217830 /nfs/dbraw/zinc/21/78/30/148217830.db2.gz GXDLQDIJPMFPIU-JBACZVJFSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000359894879 148217832 /nfs/dbraw/zinc/21/78/32/148217832.db2.gz GXDLQDIJPMFPIU-JBACZVJFSA-N 1 3 336.483 2.909 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000360091285 148269176 /nfs/dbraw/zinc/26/91/76/148269176.db2.gz VKNLKGCGOPUTAT-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000360091285 148269180 /nfs/dbraw/zinc/26/91/80/148269180.db2.gz VKNLKGCGOPUTAT-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360296508 148323963 /nfs/dbraw/zinc/32/39/63/148323963.db2.gz PHKGFPLGNLJCES-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360296508 148323965 /nfs/dbraw/zinc/32/39/65/148323965.db2.gz PHKGFPLGNLJCES-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000360859072 148472715 /nfs/dbraw/zinc/47/27/15/148472715.db2.gz NEXDINIDUGHRES-UFYCRDLUSA-N 1 3 339.568 2.833 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000363866044 149023240 /nfs/dbraw/zinc/02/32/40/149023240.db2.gz VNBAMDCEIVTPJX-MSOLQXFVSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000363866044 149023242 /nfs/dbraw/zinc/02/32/42/149023242.db2.gz VNBAMDCEIVTPJX-MSOLQXFVSA-N 1 3 343.515 2.854 20 0 EFADHO COc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000363891715 149028265 /nfs/dbraw/zinc/02/82/65/149028265.db2.gz UVCLSZADTGQJBE-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO C[N@@H+]1CCCC12CCN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000364358350 149134498 /nfs/dbraw/zinc/13/44/98/149134498.db2.gz FZLWTIIFWKGVPR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@H+]1CCCC12CCN(CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000364358350 149134501 /nfs/dbraw/zinc/13/45/01/149134501.db2.gz FZLWTIIFWKGVPR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCCC12CC[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)CC2 ZINC000364358350 149134504 /nfs/dbraw/zinc/13/45/04/149134504.db2.gz FZLWTIIFWKGVPR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452796 149156064 /nfs/dbraw/zinc/15/60/64/149156064.db2.gz YGVDHOBDPFBGIM-UHOSZYNNSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452796 149156068 /nfs/dbraw/zinc/15/60/68/149156068.db2.gz YGVDHOBDPFBGIM-UHOSZYNNSA-N 1 3 331.504 2.904 20 0 EFADHO C[N@H+](C[C@@H](O)Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364996022 149293485 /nfs/dbraw/zinc/29/34/85/149293485.db2.gz QZDOFQWVVXAMAG-NRFANRHFSA-N 1 3 339.483 2.833 20 0 EFADHO C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CCN(c2ccncc2)CC1 ZINC000364996022 149293488 /nfs/dbraw/zinc/29/34/88/149293488.db2.gz QZDOFQWVVXAMAG-NRFANRHFSA-N 1 3 339.483 2.833 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000354509922 286151241 /nfs/dbraw/zinc/15/12/41/286151241.db2.gz LOKHNPPUPINCSO-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000368103159 150037881 /nfs/dbraw/zinc/03/78/81/150037881.db2.gz SRZICLFTXPAADP-SXLOBPIMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000368103159 150037883 /nfs/dbraw/zinc/03/78/83/150037883.db2.gz SRZICLFTXPAADP-SXLOBPIMSA-N 1 3 343.515 2.745 20 0 EFADHO NCc1cc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000368111817 150040353 /nfs/dbraw/zinc/04/03/53/150040353.db2.gz IMZQMHKLEXAKIX-LSDHHAIUSA-N 1 3 341.377 2.738 20 0 EFADHO CN1CCC(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC1 ZINC000368327808 150094996 /nfs/dbraw/zinc/09/49/96/150094996.db2.gz MPWGWAKMTCGIAH-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN1CCC(CC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000368327808 150094997 /nfs/dbraw/zinc/09/49/97/150094997.db2.gz MPWGWAKMTCGIAH-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN1CC[NH+](CC2(C)CCN(CCOc3ccccc3F)CC2)CC1 ZINC000368835023 150218003 /nfs/dbraw/zinc/21/80/03/150218003.db2.gz QFWZRIBHCVAHMJ-UHFFFAOYSA-N 1 3 349.494 2.554 20 0 EFADHO Cc1ccc2cc(C[NH2+][C@H]3CCN(C4CCN(C)CC4)C3)ccc2n1 ZINC000368921397 150236214 /nfs/dbraw/zinc/23/62/14/150236214.db2.gz OVHDJHCBAUMWCT-IBGZPJMESA-N 1 3 338.499 2.801 20 0 EFADHO CN1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000369167474 150289998 /nfs/dbraw/zinc/28/99/98/150289998.db2.gz OLZRBQJGYHAZQI-BUIAKZPTSA-N 1 3 347.528 2.637 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000373844481 151235911 /nfs/dbraw/zinc/23/59/11/151235911.db2.gz ZDUAUPVPJIKWPM-ICSRJNTNSA-N 1 3 338.499 2.952 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000373989524 151263178 /nfs/dbraw/zinc/26/31/78/151263178.db2.gz JBRIFIYVPHYZFX-XLIONFOSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000373989523 151263269 /nfs/dbraw/zinc/26/32/69/151263269.db2.gz JBRIFIYVPHYZFX-PXNSSMCTSA-N 1 3 346.519 2.538 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC000374061301 151278000 /nfs/dbraw/zinc/27/80/00/151278000.db2.gz LWOIPMOTQLVXPI-GBESFXJTSA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccccc1 ZINC000374061301 151278003 /nfs/dbraw/zinc/27/80/03/151278003.db2.gz LWOIPMOTQLVXPI-GBESFXJTSA-N 1 3 330.472 2.749 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074513 151279839 /nfs/dbraw/zinc/27/98/39/151279839.db2.gz LCRQTDURKVPUHX-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374094096 151283050 /nfs/dbraw/zinc/28/30/50/151283050.db2.gz VDXAOFDWEDRNHO-NRFANRHFSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374094096 151283053 /nfs/dbraw/zinc/28/30/53/151283053.db2.gz VDXAOFDWEDRNHO-NRFANRHFSA-N 1 3 343.515 2.841 20 0 EFADHO CCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374253143 151308772 /nfs/dbraw/zinc/30/87/72/151308772.db2.gz FGGSBTCDFMMCOJ-YLJYHZDGSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374253143 151308773 /nfs/dbraw/zinc/30/87/73/151308773.db2.gz FGGSBTCDFMMCOJ-YLJYHZDGSA-N 1 3 331.504 2.543 20 0 EFADHO Cc1ccccc1OCCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374325254 151323456 /nfs/dbraw/zinc/32/34/56/151323456.db2.gz OOQHZPATDHWYPA-UXHICEINSA-N 1 3 345.531 2.722 20 0 EFADHO C[C@@H]1COCCN(Cc2cccc(C[N@@H+]3CCOC[C@@H](C)C3)c2)C1 ZINC000374328232 151324420 /nfs/dbraw/zinc/32/44/20/151324420.db2.gz BMRMIXWIGXDQDD-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@@H]1COCCN(Cc2cccc(C[N@H+]3CCOC[C@@H](C)C3)c2)C1 ZINC000374328232 151324425 /nfs/dbraw/zinc/32/44/25/151324425.db2.gz BMRMIXWIGXDQDD-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCCN(Cc2ccc(C[N@@H+]3CCOC[C@H](C)C3)cc2)C1 ZINC000374366425 151332511 /nfs/dbraw/zinc/33/25/11/151332511.db2.gz NRSWNMVFJARLIW-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCCN(Cc2ccc(C[N@H+]3CCOC[C@H](C)C3)cc2)C1 ZINC000374366425 151332513 /nfs/dbraw/zinc/33/25/13/151332513.db2.gz NRSWNMVFJARLIW-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374435198 151347072 /nfs/dbraw/zinc/34/70/72/151347072.db2.gz IFQFRUUCOSJPQS-FQEVSTJZSA-N 1 3 341.499 2.887 20 0 EFADHO COCC1(CN[C@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]CC1 ZINC000423400554 292249414 /nfs/dbraw/zinc/24/94/14/292249414.db2.gz FSCGWNITAZMZNU-LJQANCHMSA-N 1 3 343.446 2.916 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)N2CCCC2)cc1 ZINC000353471563 292254322 /nfs/dbraw/zinc/25/43/22/292254322.db2.gz SBVKXIHXACVBKI-SLFFLAALSA-N 1 3 343.515 2.882 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c1 ZINC000414810607 286342906 /nfs/dbraw/zinc/34/29/06/286342906.db2.gz VJXODBHKIQTECO-SQWLQELKSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414810607 286342907 /nfs/dbraw/zinc/34/29/07/286342907.db2.gz VJXODBHKIQTECO-SQWLQELKSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@@H]2N)N(C)C)cc1OC ZINC000422989482 286373341 /nfs/dbraw/zinc/37/33/41/286373341.db2.gz LXMOVICMEXVIQY-ULQDDVLXSA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCCCC[C@@H]2[NH3+])N(C)C)cc1OC ZINC000422989482 286373345 /nfs/dbraw/zinc/37/33/45/286373345.db2.gz LXMOVICMEXVIQY-ULQDDVLXSA-N 1 3 335.492 2.556 20 0 EFADHO Cc1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422846857 292303047 /nfs/dbraw/zinc/30/30/47/292303047.db2.gz QNFNGWRCWKASHC-GUDVDZBRSA-N 1 3 327.472 2.766 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc2c(c1)OCCCCO2 ZINC000449220263 286442182 /nfs/dbraw/zinc/44/21/82/286442182.db2.gz GYFPWSAMECQNRK-QGZVFWFLSA-N 1 3 336.476 2.684 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423280926 286690184 /nfs/dbraw/zinc/69/01/84/286690184.db2.gz TYENSEOYFDOVBV-YSVLISHTSA-N 1 3 339.505 2.616 20 0 EFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000269001290 286904087 /nfs/dbraw/zinc/90/40/87/286904087.db2.gz PFVSUUPQQPECEO-OAHLLOKOSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000249469169 287265233 /nfs/dbraw/zinc/26/52/33/287265233.db2.gz HCCHQSHCMPYNNI-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249469169 287265236 /nfs/dbraw/zinc/26/52/36/287265236.db2.gz HCCHQSHCMPYNNI-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000269240845 287272527 /nfs/dbraw/zinc/27/25/27/287272527.db2.gz JFJMYBGZXDYBNI-YZGWKJHDSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000269240845 287272529 /nfs/dbraw/zinc/27/25/29/287272529.db2.gz JFJMYBGZXDYBNI-YZGWKJHDSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000164585065 226084658 /nfs/dbraw/zinc/08/46/58/226084658.db2.gz XWMVDFYADKZIMP-QFBILLFUSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000164585065 226084660 /nfs/dbraw/zinc/08/46/60/226084660.db2.gz XWMVDFYADKZIMP-QFBILLFUSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165308833 226119701 /nfs/dbraw/zinc/11/97/01/226119701.db2.gz ZGTMXMXIGMNZKQ-RMVXJAJNSA-N 1 3 329.532 2.869 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000165627336 226132619 /nfs/dbraw/zinc/13/26/19/226132619.db2.gz QWABAFGHLHJQQP-ZCTYVAAUSA-N 1 3 329.488 2.635 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(OC)nc2)CC1 ZINC000122224458 222040276 /nfs/dbraw/zinc/04/02/76/222040276.db2.gz VVCFHTLBTZDWLH-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OC)nc2)CC1 ZINC000122224458 222040279 /nfs/dbraw/zinc/04/02/79/222040279.db2.gz VVCFHTLBTZDWLH-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO Cc1cccc(OC[C@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123325033 222257473 /nfs/dbraw/zinc/25/74/73/222257473.db2.gz RUHJEJHQYBUVSU-LJQANCHMSA-N 1 3 334.504 2.789 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000123451517 222280253 /nfs/dbraw/zinc/28/02/53/222280253.db2.gz MRSSDQDXNLBHFG-SFHVURJKSA-N 1 3 338.467 2.619 20 0 EFADHO C[N@H+]1CC=C(CNCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000271817708 545633307 /nfs/dbraw/zinc/63/33/07/545633307.db2.gz MHZKCTULJTVQCV-UHFFFAOYSA-N 1 3 339.233 2.529 20 0 EFADHO C[N@@H+]1CC=C(CNCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000271817708 545633309 /nfs/dbraw/zinc/63/33/09/545633309.db2.gz MHZKCTULJTVQCV-UHFFFAOYSA-N 1 3 339.233 2.529 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959906 544539236 /nfs/dbraw/zinc/53/92/36/544539236.db2.gz ZSYHXUFBGKRCOR-XLIONFOSSA-N 1 3 342.487 2.907 20 0 EFADHO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(-n2cnnn2)c1 ZINC000123581632 544607846 /nfs/dbraw/zinc/60/78/46/544607846.db2.gz LMENGOVABJAYTM-OAHLLOKOSA-N 1 3 336.443 2.575 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000128437558 544641006 /nfs/dbraw/zinc/64/10/06/544641006.db2.gz LZURFTRUULSMBP-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)oc1C ZINC000166581872 544851254 /nfs/dbraw/zinc/85/12/54/544851254.db2.gz VHWGLQJBOKBKIT-RBUKOAKNSA-N 1 3 346.519 2.720 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000188713142 265149932 /nfs/dbraw/zinc/14/99/32/265149932.db2.gz MATUSYAVGCNWIV-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171204 265254318 /nfs/dbraw/zinc/25/43/18/265254318.db2.gz FUKLNEQVLXYFBQ-INIZCTEOSA-N 1 3 335.540 2.625 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000193916698 265354039 /nfs/dbraw/zinc/35/40/39/265354039.db2.gz NRYIEAKJSLEOOT-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO Cc1ccncc1[C@@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000271626002 266024702 /nfs/dbraw/zinc/02/47/02/266024702.db2.gz ZELWOTVNJKJXEQ-GOSISDBHSA-N 1 3 339.487 2.648 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)ncn3C)C[C@H](C)O1 ZINC000271641364 266029241 /nfs/dbraw/zinc/02/92/41/266029241.db2.gz HIEYGKFJIGICES-IYBDPMFKSA-N 1 3 330.476 2.552 20 0 EFADHO C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000271665944 266035858 /nfs/dbraw/zinc/03/58/58/266035858.db2.gz HSDYFWKVENARDQ-LPHOPBHVSA-N 1 3 348.487 2.963 20 0 EFADHO OCc1ccc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000271664101 266036759 /nfs/dbraw/zinc/03/67/59/266036759.db2.gz LPWZGXZCVFLXAY-UHFFFAOYSA-N 1 3 344.455 2.579 20 0 EFADHO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000271707808 266045688 /nfs/dbraw/zinc/04/56/88/266045688.db2.gz MKGLOVWGMRNETO-LPHOPBHVSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@H](NC[C@H]1COC2(CCCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271707808 266045691 /nfs/dbraw/zinc/04/56/91/266045691.db2.gz MKGLOVWGMRNETO-LPHOPBHVSA-N 1 3 348.487 2.963 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271817707 266068956 /nfs/dbraw/zinc/06/89/56/266068956.db2.gz OMRUQZCUGVTJMF-DLBZAZTESA-N 1 3 340.533 2.949 20 0 EFADHO C[C@H]([NH2+]Cc1cnc2cnccn12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272251751 266205676 /nfs/dbraw/zinc/20/56/76/266205676.db2.gz YMWBOSGCNWFPDE-WMZOPIPTSA-N 1 3 335.455 2.730 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272442828 266267710 /nfs/dbraw/zinc/26/77/10/266267710.db2.gz LGOOXBXCRYUZFL-DNVCBOLYSA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@@](C)(N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272442828 266267712 /nfs/dbraw/zinc/26/77/12/266267712.db2.gz LGOOXBXCRYUZFL-DNVCBOLYSA-N 1 3 333.476 2.863 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272551250 266304362 /nfs/dbraw/zinc/30/43/62/266304362.db2.gz IGNKIXKGIPAPQR-GOSISDBHSA-N 1 3 349.544 2.980 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272550743 266304792 /nfs/dbraw/zinc/30/47/92/266304792.db2.gz SPUZPDMNZRZJDJ-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000272560376 266307912 /nfs/dbraw/zinc/30/79/12/266307912.db2.gz JLYITWFJTHYZCB-IBGZPJMESA-N 1 3 332.492 2.673 20 0 EFADHO C[NH+]1CCC(C)(CNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000272583120 266316692 /nfs/dbraw/zinc/31/66/92/266316692.db2.gz YPDZUQRWOZTUOS-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272695337 266352737 /nfs/dbraw/zinc/35/27/37/266352737.db2.gz XQOYGAWNVVVASC-QUCCMNQESA-N 1 3 341.499 2.839 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272695335 266353262 /nfs/dbraw/zinc/35/32/62/266353262.db2.gz XQOYGAWNVVVASC-AZUAARDMSA-N 1 3 341.499 2.839 20 0 EFADHO O[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000272698801 266354431 /nfs/dbraw/zinc/35/44/31/266354431.db2.gz RNADVPCLWBTQFL-HAGHYFMRSA-N 1 3 346.540 2.745 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000272700519 266354907 /nfs/dbraw/zinc/35/49/07/266354907.db2.gz RYYGKHHKDHJRNG-IYWMVGAKSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272700519 266354911 /nfs/dbraw/zinc/35/49/11/266354911.db2.gz RYYGKHHKDHJRNG-IYWMVGAKSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000272700519 266354913 /nfs/dbraw/zinc/35/49/13/266354913.db2.gz RYYGKHHKDHJRNG-IYWMVGAKSA-N 1 3 332.488 2.538 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738729 266367594 /nfs/dbraw/zinc/36/75/94/266367594.db2.gz CLYWIJHDAYPMPR-YLJYHZDGSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738729 266367598 /nfs/dbraw/zinc/36/75/98/266367598.db2.gz CLYWIJHDAYPMPR-YLJYHZDGSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738727 266367774 /nfs/dbraw/zinc/36/77/74/266367774.db2.gz CLYWIJHDAYPMPR-XLIONFOSSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738727 266367777 /nfs/dbraw/zinc/36/77/77/266367777.db2.gz CLYWIJHDAYPMPR-XLIONFOSSA-N 1 3 341.499 2.665 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1C ZINC000273238209 266470000 /nfs/dbraw/zinc/47/00/00/266470000.db2.gz YEVZQIZTONKAPH-QGZVFWFLSA-N 1 3 333.520 2.989 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000108547885 273010294 /nfs/dbraw/zinc/01/02/94/273010294.db2.gz BSFMJTQXNKSVEP-WMZOPIPTSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276939789 267082472 /nfs/dbraw/zinc/08/24/72/267082472.db2.gz GNJADZARQZTHKM-UHFFFAOYSA-N 1 3 345.531 2.983 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000276962580 267086563 /nfs/dbraw/zinc/08/65/63/267086563.db2.gz MJWORHKPILNURB-SFHVURJKSA-N 1 3 348.535 2.908 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000276962580 267086565 /nfs/dbraw/zinc/08/65/65/267086565.db2.gz MJWORHKPILNURB-SFHVURJKSA-N 1 3 348.535 2.908 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CS1 ZINC000277246201 267137673 /nfs/dbraw/zinc/13/76/73/267137673.db2.gz NPZOMPSDHXDYLE-QRVBRYPASA-N 1 3 334.529 2.873 20 0 EFADHO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CCC1 ZINC000277277283 267145949 /nfs/dbraw/zinc/14/59/49/267145949.db2.gz QDRZYPKPYILXLC-INIZCTEOSA-N 1 3 347.503 2.584 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)C12CCC[NH+]1CCC2 ZINC000278504452 267462940 /nfs/dbraw/zinc/46/29/40/267462940.db2.gz AUDWQPIAYMPIEM-SFHVURJKSA-N 1 3 327.472 2.568 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636728 267506734 /nfs/dbraw/zinc/50/67/34/267506734.db2.gz ORMIPJRAEFTCMM-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636728 267506737 /nfs/dbraw/zinc/50/67/37/267506737.db2.gz ORMIPJRAEFTCMM-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000173343865 273024749 /nfs/dbraw/zinc/02/47/49/273024749.db2.gz QARZVJVQMUWTPI-CVEARBPZSA-N 1 3 325.497 2.755 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186106504 273051177 /nfs/dbraw/zinc/05/11/77/273051177.db2.gz YIKGRBKGXBJEIZ-OAHLLOKOSA-N 1 3 325.522 2.825 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262665996 273075328 /nfs/dbraw/zinc/07/53/28/273075328.db2.gz JZTUPXNNEOWICX-ZMMAXQRCSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](N)c1ccccc1 ZINC000262665996 273075329 /nfs/dbraw/zinc/07/53/29/273075329.db2.gz JZTUPXNNEOWICX-ZMMAXQRCSA-N 1 3 331.504 2.807 20 0 EFADHO Cc1noc(CCC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)n1 ZINC000271527205 273104474 /nfs/dbraw/zinc/10/44/74/273104474.db2.gz VZKLSUSQMGKAFJ-CQSZACIVSA-N 1 3 332.448 2.602 20 0 EFADHO COc1sc(CNCC2=CC[N@H+](C)CC2)cc1Br ZINC000271848533 273110670 /nfs/dbraw/zinc/11/06/70/273110670.db2.gz SLVBTQFOOBNVLS-UHFFFAOYSA-N 1 3 331.279 2.871 20 0 EFADHO COc1sc(CNCC2=CC[N@@H+](C)CC2)cc1Br ZINC000271848533 273110672 /nfs/dbraw/zinc/11/06/72/273110672.db2.gz SLVBTQFOOBNVLS-UHFFFAOYSA-N 1 3 331.279 2.871 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272165557 273113234 /nfs/dbraw/zinc/11/32/34/273113234.db2.gz GRBZUOJQYQXGEV-OXJNMPFZSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272165558 273113335 /nfs/dbraw/zinc/11/33/35/273113335.db2.gz GRBZUOJQYQXGEV-OXQOHEQNSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@H]([NH2+]CCN1CCOCC1(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274970310 273136444 /nfs/dbraw/zinc/13/64/44/273136444.db2.gz XYZQCJZDVKWNQK-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOCC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274970310 273136445 /nfs/dbraw/zinc/13/64/45/273136445.db2.gz XYZQCJZDVKWNQK-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOCC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274970310 273136447 /nfs/dbraw/zinc/13/64/47/273136447.db2.gz XYZQCJZDVKWNQK-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000277083084 273146474 /nfs/dbraw/zinc/14/64/74/273146474.db2.gz FKHKAECPPJWONE-SVFBPWRDSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000277083084 273146476 /nfs/dbraw/zinc/14/64/76/273146476.db2.gz FKHKAECPPJWONE-SVFBPWRDSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000277083069 273146512 /nfs/dbraw/zinc/14/65/12/273146512.db2.gz FKHKAECPPJWONE-DYXWJJEUSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000277083069 273146513 /nfs/dbraw/zinc/14/65/13/273146513.db2.gz FKHKAECPPJWONE-DYXWJJEUSA-N 1 3 346.515 2.858 20 0 EFADHO CC(=O)c1cc(C(=O)N(CCCN(C)C)CCC[NH+](C)C)ccc1C ZINC000278991085 273164069 /nfs/dbraw/zinc/16/40/69/273164069.db2.gz IRRIQOFDFBCEQI-UHFFFAOYSA-N 1 3 347.503 2.543 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc(OCCN(C)C)c1 ZINC000279007562 273165939 /nfs/dbraw/zinc/16/59/39/273165939.db2.gz SKHHJYRZQFKHDU-IAGOWNOFSA-N 1 3 342.487 2.737 20 0 EFADHO C[C@H](CCNC(=O)[C@H]1CCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000279267543 273195501 /nfs/dbraw/zinc/19/55/01/273195501.db2.gz WFHYSLPIONDBOY-VQIMIIECSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H](CCNC(=O)[C@H]1CCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000279267543 273195503 /nfs/dbraw/zinc/19/55/03/273195503.db2.gz WFHYSLPIONDBOY-VQIMIIECSA-N 1 3 329.488 2.640 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279743065 273248522 /nfs/dbraw/zinc/24/85/22/273248522.db2.gz PDLKNFFROQAMEY-UYAOXDASSA-N 1 3 333.520 2.770 20 0 EFADHO COc1ccccc1-n1nccc1CNCCC1CC[NH+](C)CC1 ZINC000280415250 273325822 /nfs/dbraw/zinc/32/58/22/273325822.db2.gz BIFJQGOHPIRBMV-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000280861305 273374829 /nfs/dbraw/zinc/37/48/29/273374829.db2.gz CDPPWGKKOOUAHD-WMZOPIPTSA-N 1 3 347.503 2.536 20 0 EFADHO CN(C(=O)[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000281073415 273397834 /nfs/dbraw/zinc/39/78/34/273397834.db2.gz KWBPQIPWQCRMRO-QZTJIDSGSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C(=O)[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000281073415 273397835 /nfs/dbraw/zinc/39/78/35/273397835.db2.gz KWBPQIPWQCRMRO-QZTJIDSGSA-N 1 3 329.488 2.846 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000416836556 273770584 /nfs/dbraw/zinc/77/05/84/273770584.db2.gz GPROMQZGHOKXAM-IPELMVKDSA-N 1 3 346.519 2.763 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000283922438 273775179 /nfs/dbraw/zinc/77/51/79/273775179.db2.gz DTGHFNXDDVEGKX-HXUWFJFHSA-N 1 3 344.503 2.680 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cn[nH]c3)CC2)c1 ZINC000284105548 273797855 /nfs/dbraw/zinc/79/78/55/273797855.db2.gz MZYCANNUTCGXMR-SFHVURJKSA-N 1 3 341.503 2.971 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284142880 273802507 /nfs/dbraw/zinc/80/25/07/273802507.db2.gz DHBHAIAIYDYGEH-JSGCOSHPSA-N 1 3 329.872 2.751 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285503703 274013312 /nfs/dbraw/zinc/01/33/12/274013312.db2.gz MYNGZKYREGFSBV-DFNIBXOVSA-N 1 3 341.499 2.913 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285503703 274013313 /nfs/dbraw/zinc/01/33/13/274013313.db2.gz MYNGZKYREGFSBV-DFNIBXOVSA-N 1 3 341.499 2.913 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000285513938 274015622 /nfs/dbraw/zinc/01/56/22/274015622.db2.gz AVFXEBBDVPRAOK-CABCVRRESA-N 1 3 331.460 2.789 20 0 EFADHO COC(=O)CC1(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285526893 274018095 /nfs/dbraw/zinc/01/80/95/274018095.db2.gz KQBNYPRQGWRZNT-NRFANRHFSA-N 1 3 342.483 2.928 20 0 EFADHO COC(=O)CC1(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC1 ZINC000285526893 274018097 /nfs/dbraw/zinc/01/80/97/274018097.db2.gz KQBNYPRQGWRZNT-NRFANRHFSA-N 1 3 342.483 2.928 20 0 EFADHO c1ccc(C[N@H+]2CC[C@@]3(CCN(CCC4OCCCO4)C3)C2)cc1 ZINC000285713376 274059054 /nfs/dbraw/zinc/05/90/54/274059054.db2.gz WODDXMWSGOYMHK-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCC4OCCCO4)C3)C2)cc1 ZINC000285713376 274059055 /nfs/dbraw/zinc/05/90/55/274059055.db2.gz WODDXMWSGOYMHK-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000285978312 274110626 /nfs/dbraw/zinc/11/06/26/274110626.db2.gz HOUCJTIYINSGKW-QWHCGFSZSA-N 1 3 345.409 2.579 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000286019963 274118661 /nfs/dbraw/zinc/11/86/61/274118661.db2.gz JTMMBZXLWMGHQY-CYBMUJFWSA-N 1 3 345.409 2.723 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000286094429 274132387 /nfs/dbraw/zinc/13/23/87/274132387.db2.gz MGPDGEVOEIWZGY-PLACYPQZSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000286094429 274132388 /nfs/dbraw/zinc/13/23/88/274132388.db2.gz MGPDGEVOEIWZGY-PLACYPQZSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000286094429 274132391 /nfs/dbraw/zinc/13/23/91/274132391.db2.gz MGPDGEVOEIWZGY-PLACYPQZSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286096643 274132954 /nfs/dbraw/zinc/13/29/54/274132954.db2.gz MIUXKIGZSDRCIO-JSXRDJHFSA-N 1 3 346.515 2.664 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000287245188 274377072 /nfs/dbraw/zinc/37/70/72/274377072.db2.gz SXQZIEURCZLCQT-VQIMIIECSA-N 1 3 346.519 2.850 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000289465170 274766016 /nfs/dbraw/zinc/76/60/16/274766016.db2.gz AHFMTRRUVLUYIE-QYZOEREBSA-N 1 3 329.488 2.636 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1NCCc2ccccc21)[NH+]1CCCCC1 ZINC000262356743 275694883 /nfs/dbraw/zinc/69/48/83/275694883.db2.gz JRJBZFUWMYHTDX-RBUKOAKNSA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418415581 275913114 /nfs/dbraw/zinc/91/31/14/275913114.db2.gz NYFDTLZXAVNSRM-GOSISDBHSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418345512 276057931 /nfs/dbraw/zinc/05/79/31/276057931.db2.gz HHSCAANZRWCJJF-ZTFGCOKTSA-N 1 3 332.492 2.627 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000416874823 276057983 /nfs/dbraw/zinc/05/79/83/276057983.db2.gz QALWORFVJIIXOV-LJQANCHMSA-N 1 3 346.519 2.985 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000418366186 276057995 /nfs/dbraw/zinc/05/79/95/276057995.db2.gz YKBQORYNLDTVMN-OLMNPRSZSA-N 1 3 332.492 2.721 20 0 EFADHO CCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368452411 276061830 /nfs/dbraw/zinc/06/18/30/276061830.db2.gz AKOMSDWMKUYZER-NZSAHSFTSA-N 1 3 329.488 2.813 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362590082 276063646 /nfs/dbraw/zinc/06/36/46/276063646.db2.gz IWEQWWSXTZIVHG-ONCXSQPRSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000362590082 276063647 /nfs/dbraw/zinc/06/36/47/276063647.db2.gz IWEQWWSXTZIVHG-ONCXSQPRSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000345711130 276064208 /nfs/dbraw/zinc/06/42/08/276064208.db2.gz KDOGMJNPAUDXSY-CWRNSKLLSA-N 1 3 339.430 2.653 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000345711130 276064209 /nfs/dbraw/zinc/06/42/09/276064209.db2.gz KDOGMJNPAUDXSY-CWRNSKLLSA-N 1 3 339.430 2.653 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000359217702 276110252 /nfs/dbraw/zinc/11/02/52/276110252.db2.gz CKDDVJABSGXJRC-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000338466137 276127613 /nfs/dbraw/zinc/12/76/13/276127613.db2.gz RCQZXFITIFICNT-SJLPKXTDSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000338466137 276127614 /nfs/dbraw/zinc/12/76/14/276127614.db2.gz RCQZXFITIFICNT-SJLPKXTDSA-N 1 3 344.503 2.605 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@H]2C)CC1 ZINC000353039113 276203619 /nfs/dbraw/zinc/20/36/19/276203619.db2.gz OSQFKFJKOHXTEK-MSOLQXFVSA-N 1 3 331.504 2.591 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337871 276211857 /nfs/dbraw/zinc/21/18/57/276211857.db2.gz REBINVNBQFQTLI-AFYVEPGGSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337871 276211860 /nfs/dbraw/zinc/21/18/60/276211860.db2.gz REBINVNBQFQTLI-AFYVEPGGSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337871 276211862 /nfs/dbraw/zinc/21/18/62/276211862.db2.gz REBINVNBQFQTLI-AFYVEPGGSA-N 1 3 331.504 2.521 20 0 EFADHO CCN(C)C(=O)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420319702 276301808 /nfs/dbraw/zinc/30/18/08/276301808.db2.gz YEDUHNCFLODSJP-MRXNPFEDSA-N 1 3 335.517 2.561 20 0 EFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000367596892 276349005 /nfs/dbraw/zinc/34/90/05/276349005.db2.gz AOCWUQFBZBULTA-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000367596892 276349006 /nfs/dbraw/zinc/34/90/06/276349006.db2.gz AOCWUQFBZBULTA-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H]1OC ZINC000336795423 276353844 /nfs/dbraw/zinc/35/38/44/276353844.db2.gz KLESHGBEFRKBCL-WMDQAZIPSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H]1OC ZINC000336795423 276353845 /nfs/dbraw/zinc/35/38/45/276353845.db2.gz KLESHGBEFRKBCL-WMDQAZIPSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)[C@@H]1OC ZINC000336795423 276353846 /nfs/dbraw/zinc/35/38/46/276353846.db2.gz KLESHGBEFRKBCL-WMDQAZIPSA-N 1 3 344.499 2.679 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1)C1CC1 ZINC000343414968 276353924 /nfs/dbraw/zinc/35/39/24/276353924.db2.gz KJESGXMBTIAXRB-DNVCBOLYSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@@H]2C)cc1)C1CC1 ZINC000343414968 276353926 /nfs/dbraw/zinc/35/39/26/276353926.db2.gz KJESGXMBTIAXRB-DNVCBOLYSA-N 1 3 329.488 2.883 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155285271 276364884 /nfs/dbraw/zinc/36/48/84/276364884.db2.gz MFCSICCHLGEKOH-LPHOPBHVSA-N 1 3 344.503 2.598 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343501017 276388419 /nfs/dbraw/zinc/38/84/19/276388419.db2.gz XIFFJSYQBNBPEL-YLJYHZDGSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343501017 276388421 /nfs/dbraw/zinc/38/84/21/276388421.db2.gz XIFFJSYQBNBPEL-YLJYHZDGSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCCC2(C)C)CC1 ZINC000339465561 276388477 /nfs/dbraw/zinc/38/84/77/276388477.db2.gz JLECWGBGDMFQMS-OAQYLSRUSA-N 1 3 345.531 2.859 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414847624 276393068 /nfs/dbraw/zinc/39/30/68/276393068.db2.gz WBPATZSBZXRNEY-ZDUSSCGKSA-N 1 3 344.908 2.613 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccsc1 ZINC000414186339 276584273 /nfs/dbraw/zinc/58/42/73/276584273.db2.gz HPFUUVBITSWLGJ-KRWDZBQOSA-N 1 3 337.533 2.585 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181524527 276763234 /nfs/dbraw/zinc/76/32/34/276763234.db2.gz FZJHOBNOYAQQMY-FHWLQOOXSA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000237046954 276809927 /nfs/dbraw/zinc/80/99/27/276809927.db2.gz PRIUQDHJQUWXOJ-KRWDZBQOSA-N 1 3 337.423 2.924 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000423428367 277024897 /nfs/dbraw/zinc/02/48/97/277024897.db2.gz ONSRZHAGBVVJDZ-UHFFFAOYSA-N 1 3 343.515 2.785 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000370624483 277028394 /nfs/dbraw/zinc/02/83/94/277028394.db2.gz LRIZRXAJGPCQQH-TZIWHRDSSA-N 1 3 327.516 2.766 20 0 EFADHO CN1CCC[N@H+](CCCN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367616831 277051536 /nfs/dbraw/zinc/05/15/36/277051536.db2.gz MGPRLROMQVLIKI-GOSISDBHSA-N 1 3 333.524 2.648 20 0 EFADHO CN1CCC[N@@H+](CCCN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367616831 277051538 /nfs/dbraw/zinc/05/15/38/277051538.db2.gz MGPRLROMQVLIKI-GOSISDBHSA-N 1 3 333.524 2.648 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352342931 277057354 /nfs/dbraw/zinc/05/73/54/277057354.db2.gz ALQQTQNMSFGZLO-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352342931 277057355 /nfs/dbraw/zinc/05/73/55/277057355.db2.gz ALQQTQNMSFGZLO-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423418990 277122536 /nfs/dbraw/zinc/12/25/36/277122536.db2.gz ICUKRNPCVQVKOB-FUHWJXTLSA-N 1 3 329.488 2.657 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000349150022 277861274 /nfs/dbraw/zinc/86/12/74/277861274.db2.gz MMURWBHNNYVHFC-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000237511567 278221723 /nfs/dbraw/zinc/22/17/23/278221723.db2.gz DRVQIAVZBAOHLV-PXNSSMCTSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1N(C)C ZINC000150988614 278254176 /nfs/dbraw/zinc/25/41/76/278254176.db2.gz MOOQUUACGKSTEX-HNNXBMFYSA-N 1 3 336.499 2.568 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000455431704 278274986 /nfs/dbraw/zinc/27/49/86/278274986.db2.gz LYOCLRFIRREBHS-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000455431704 278274988 /nfs/dbraw/zinc/27/49/88/278274988.db2.gz LYOCLRFIRREBHS-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416788518 278311864 /nfs/dbraw/zinc/31/18/64/278311864.db2.gz BPLOQNWHMHDHPJ-APWZRJJASA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000366910320 278321474 /nfs/dbraw/zinc/32/14/74/278321474.db2.gz HKDVVXSEDDVGJT-QGZVFWFLSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc2c(s1)CCCC2 ZINC000371446272 278372973 /nfs/dbraw/zinc/37/29/73/278372973.db2.gz CHEHGTUKQFEXCM-HUUCEWRRSA-N 1 3 348.560 2.841 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000081305796 278843477 /nfs/dbraw/zinc/84/34/77/278843477.db2.gz LPGNHZWWFRYFJJ-LJQANCHMSA-N 1 3 329.488 2.590 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153812724 288103088 /nfs/dbraw/zinc/10/30/88/288103088.db2.gz YORLNSKNQFDNGA-ZACQAIPSSA-N 1 3 325.566 2.666 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341243645 279098399 /nfs/dbraw/zinc/09/83/99/279098399.db2.gz REGYFECMXHLFHO-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000354097520 279109841 /nfs/dbraw/zinc/10/98/41/279109841.db2.gz QLNWMCFJFSYCET-LJQANCHMSA-N 1 3 333.476 2.578 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418432678 279138520 /nfs/dbraw/zinc/13/85/20/279138520.db2.gz ZWHKLQHHQORATB-PKOBYXMFSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418448843 279139713 /nfs/dbraw/zinc/13/97/13/279139713.db2.gz SIVZLAPKXYTJKD-CVEARBPZSA-N 1 3 340.899 2.615 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000112740488 279162216 /nfs/dbraw/zinc/16/22/16/279162216.db2.gz ICGPIDHPIKSYAP-LJQANCHMSA-N 1 3 346.519 2.807 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000262263097 279163679 /nfs/dbraw/zinc/16/36/79/279163679.db2.gz GWYUWLDPDDMVDJ-ZIFCJYIRSA-N 1 3 347.503 2.712 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1)C1CC1 ZINC000342721565 279235418 /nfs/dbraw/zinc/23/54/18/279235418.db2.gz HRXHHYMHDDEGEP-IHPCNDPISA-N 1 3 341.499 2.870 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1)C1CC1 ZINC000343784564 279235836 /nfs/dbraw/zinc/23/58/36/279235836.db2.gz FIRMEKKDDGMBFZ-FOIQADDNSA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1)C1CC1 ZINC000343784564 279235837 /nfs/dbraw/zinc/23/58/37/279235837.db2.gz FIRMEKKDDGMBFZ-FOIQADDNSA-N 1 3 341.499 2.883 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000112731542 279259376 /nfs/dbraw/zinc/25/93/76/279259376.db2.gz SQKNRNAHKSVHNW-HXUWFJFHSA-N 1 3 331.504 2.916 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246777736 279271056 /nfs/dbraw/zinc/27/10/56/279271056.db2.gz ZCQAYVUJFCPKIF-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246777736 279271057 /nfs/dbraw/zinc/27/10/57/279271057.db2.gz ZCQAYVUJFCPKIF-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455898942 279287438 /nfs/dbraw/zinc/28/74/38/279287438.db2.gz FBWKUULDPHLMNL-SFHVURJKSA-N 1 3 330.476 2.795 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913786 279316742 /nfs/dbraw/zinc/31/67/42/279316742.db2.gz BNHQATNDJRAMBI-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913786 279316745 /nfs/dbraw/zinc/31/67/45/279316745.db2.gz BNHQATNDJRAMBI-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000105129832 279335929 /nfs/dbraw/zinc/33/59/29/279335929.db2.gz LNEVTHSGRLVTFM-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000105129832 279335930 /nfs/dbraw/zinc/33/59/30/279335930.db2.gz LNEVTHSGRLVTFM-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000356225451 280246203 /nfs/dbraw/zinc/24/62/03/280246203.db2.gz PZAMKZZCSPLMLS-AEFFLSMTSA-N 1 3 338.540 2.525 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422983127 280255030 /nfs/dbraw/zinc/25/50/30/280255030.db2.gz YOTAQECVDFQFCC-NMLBUPMWSA-N 1 3 331.504 2.870 20 0 EFADHO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1 ZINC000420330301 280313185 /nfs/dbraw/zinc/31/31/85/280313185.db2.gz AXESGAXHYJWHSO-OALUTQOASA-N 1 3 327.472 2.646 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420338846 280323138 /nfs/dbraw/zinc/32/31/38/280323138.db2.gz YCWNTGXWZDUDLK-TXPKVOOTSA-N 1 3 345.462 2.643 20 0 EFADHO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414202724 280385555 /nfs/dbraw/zinc/38/55/55/280385555.db2.gz UPIWNOUXGASXEN-OALUTQOASA-N 1 3 337.552 2.587 20 0 EFADHO c1ccc(NCCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422835215 280482273 /nfs/dbraw/zinc/48/22/73/280482273.db2.gz PBNQUSDLNLUOHK-PXNSSMCTSA-N 1 3 338.455 2.729 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)CC2)n1 ZINC000353524693 281225453 /nfs/dbraw/zinc/22/54/53/281225453.db2.gz FGJJOENNOFNWRK-QRVBRYPASA-N 1 3 328.504 2.821 20 0 EFADHO C[C@@H]1COCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000370051695 288335022 /nfs/dbraw/zinc/33/50/22/288335022.db2.gz DFGVUTLYEXGSPV-KRWDZBQOSA-N 1 3 331.504 2.685 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422791196 282045146 /nfs/dbraw/zinc/04/51/46/282045146.db2.gz VPWURIIXSMAOHH-XUVXKRRUSA-N 1 3 327.516 2.596 20 0 EFADHO C[NH+](C)C1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000411388279 282049947 /nfs/dbraw/zinc/04/99/47/282049947.db2.gz UAWCJFMINSHANI-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N(C)C)cc1 ZINC000236959887 288548332 /nfs/dbraw/zinc/54/83/32/288548332.db2.gz KROGVCVNQUHEMX-WOJBJXKFSA-N 1 3 339.483 2.710 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000245973865 289110543 /nfs/dbraw/zinc/11/05/43/289110543.db2.gz OKIRAWCDIBDWKU-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000368579957 289176699 /nfs/dbraw/zinc/17/66/99/289176699.db2.gz IYNVVRCQDLFAKA-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000247112097 289305756 /nfs/dbraw/zinc/30/57/56/289305756.db2.gz RDTAQCALUSDREC-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057636 289343678 /nfs/dbraw/zinc/34/36/78/289343678.db2.gz HMRJCCUIBPRKIZ-DILPRVAGSA-N 1 3 333.520 2.521 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000339441194 289357882 /nfs/dbraw/zinc/35/78/82/289357882.db2.gz ULQKYKVQVNCALK-GOSISDBHSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000439762099 290274350 /nfs/dbraw/zinc/27/43/50/290274350.db2.gz AHNCZFJFABCOEY-BRWVUGGUSA-N 1 3 344.503 2.596 20 0 EFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000193136405 290340048 /nfs/dbraw/zinc/34/00/48/290340048.db2.gz KGQQJEYMKBTIPZ-MAUKXSAKSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944743 290390399 /nfs/dbraw/zinc/39/03/99/290390399.db2.gz RIAMMMKJSMGCRW-ZWKOTPCHSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944743 290390402 /nfs/dbraw/zinc/39/04/02/290390402.db2.gz RIAMMMKJSMGCRW-ZWKOTPCHSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000265629298 290393339 /nfs/dbraw/zinc/39/33/39/290393339.db2.gz IWQSQSFFHOZVBU-UEICXMAYSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C/CN(C)C ZINC000265629298 290393343 /nfs/dbraw/zinc/39/33/43/290393343.db2.gz IWQSQSFFHOZVBU-UEICXMAYSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467021 290393402 /nfs/dbraw/zinc/39/34/02/290393402.db2.gz KIIVRVSTIDBTLO-SWLSCSKDSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467021 290393405 /nfs/dbraw/zinc/39/34/05/290393405.db2.gz KIIVRVSTIDBTLO-SWLSCSKDSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000125753627 293015708 /nfs/dbraw/zinc/01/57/08/293015708.db2.gz PKORUHHLACUBIL-IRXDYDNUSA-N 1 3 336.524 2.567 20 0 EFADHO CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1OC ZINC000126948661 293054568 /nfs/dbraw/zinc/05/45/68/293054568.db2.gz YIKCHNUWPKZMNK-OFQRWUPVSA-N 1 3 336.476 2.921 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000128202369 293094962 /nfs/dbraw/zinc/09/49/62/293094962.db2.gz AZDDKAUCNZPENP-HOCLYGCPSA-N 1 3 329.444 2.671 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000129045036 293122834 /nfs/dbraw/zinc/12/28/34/293122834.db2.gz ZZRKAXGIQAXLEL-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000129045036 293122837 /nfs/dbraw/zinc/12/28/37/293122837.db2.gz ZZRKAXGIQAXLEL-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000130016398 293151375 /nfs/dbraw/zinc/15/13/75/293151375.db2.gz VCYGSSMFODUYQJ-SFHVURJKSA-N 1 3 343.515 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000130016398 293151377 /nfs/dbraw/zinc/15/13/77/293151377.db2.gz VCYGSSMFODUYQJ-SFHVURJKSA-N 1 3 343.515 2.829 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000130117005 293155235 /nfs/dbraw/zinc/15/52/35/293155235.db2.gz YLLOLDHXBKMHLU-IRXDYDNUSA-N 1 3 338.540 2.621 20 0 EFADHO CCCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000130488418 293167808 /nfs/dbraw/zinc/16/78/08/293167808.db2.gz FHMLMVYGURIMHJ-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000130518952 293169268 /nfs/dbraw/zinc/16/92/68/293169268.db2.gz PIXWRASDWKJYCU-HKUYNNGSSA-N 1 3 329.488 2.575 20 0 EFADHO Cc1ccc(Cl)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000132953965 293242528 /nfs/dbraw/zinc/24/25/28/293242528.db2.gz NQMFXIGSYZUQQS-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CCOc1cc2nccc(NC[C@@](C)(O)C[NH+](C)C)c2cc1OCC ZINC000133013062 293244720 /nfs/dbraw/zinc/24/47/20/293244720.db2.gz OUWSENXIBIXVMA-LJQANCHMSA-N 1 3 347.459 2.757 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000133398363 293255975 /nfs/dbraw/zinc/25/59/75/293255975.db2.gz IABUNQYLWUDENR-UHFFFAOYSA-N 1 3 348.825 2.575 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCN(C)C)cc2)C1 ZINC000133418407 293256807 /nfs/dbraw/zinc/25/68/07/293256807.db2.gz AFQIKJSIRQQBHZ-CALCHBBNSA-N 1 3 346.519 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCN(C)C)cc2)C1 ZINC000133418407 293256809 /nfs/dbraw/zinc/25/68/09/293256809.db2.gz AFQIKJSIRQQBHZ-CALCHBBNSA-N 1 3 346.519 2.525 20 0 EFADHO Cc1nc(COc2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)no1 ZINC000414808977 293275283 /nfs/dbraw/zinc/27/52/83/293275283.db2.gz SYXIGHPVASXQSU-DOTOQJQBSA-N 1 3 330.432 2.564 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154376743 293422868 /nfs/dbraw/zinc/42/28/68/293422868.db2.gz ZVECHRCCFLMPFM-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000289811931 293917052 /nfs/dbraw/zinc/91/70/52/293917052.db2.gz PMGCIMOVPXRHRP-KRWDZBQOSA-N 1 3 326.488 2.913 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290103756 294000391 /nfs/dbraw/zinc/00/03/91/294000391.db2.gz KDEVWYSMTKRJJU-NQYYFHDYSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000290115413 294002576 /nfs/dbraw/zinc/00/25/76/294002576.db2.gz IXNGUALLKBXIPO-ZOBUZTSGSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000290115409 294002599 /nfs/dbraw/zinc/00/25/99/294002599.db2.gz IXNGUALLKBXIPO-INMHGKMJSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290152670 294012063 /nfs/dbraw/zinc/01/20/63/294012063.db2.gz LJJUQLKUWBDEEF-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290152670 294012066 /nfs/dbraw/zinc/01/20/66/294012066.db2.gz LJJUQLKUWBDEEF-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290152670 294012069 /nfs/dbraw/zinc/01/20/69/294012069.db2.gz LJJUQLKUWBDEEF-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO COc1ncccc1CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000290228569 294032580 /nfs/dbraw/zinc/03/25/80/294032580.db2.gz RLVQZWLPRWRXAK-INIZCTEOSA-N 1 3 343.471 2.924 20 0 EFADHO COc1ncccc1CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000290228574 294032659 /nfs/dbraw/zinc/03/26/59/294032659.db2.gz RLVQZWLPRWRXAK-MRXNPFEDSA-N 1 3 343.471 2.924 20 0 EFADHO CN(CCCN(C)Cc1cnc(-c2ccco2)s1)CC[NH+](C)C ZINC000290276474 294045335 /nfs/dbraw/zinc/04/53/35/294045335.db2.gz YNEDCBVHNGJXIP-UHFFFAOYSA-N 1 3 336.505 2.718 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290404743 294078048 /nfs/dbraw/zinc/07/80/48/294078048.db2.gz PPRARLDAFAKFDT-JQHSSLGASA-N 1 3 346.471 2.918 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290404734 294078317 /nfs/dbraw/zinc/07/83/17/294078317.db2.gz PPRARLDAFAKFDT-CGTJXYLNSA-N 1 3 346.471 2.918 20 0 EFADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc2c1OCO2 ZINC000290461489 294092957 /nfs/dbraw/zinc/09/29/57/294092957.db2.gz NBCCBVWKOXCWSR-MRXNPFEDSA-N 1 3 332.444 2.588 20 0 EFADHO C[C@H](O)c1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000290546733 294116894 /nfs/dbraw/zinc/11/68/94/294116894.db2.gz YWLGSGFSXGBGDN-ZDUSSCGKSA-N 1 3 332.473 2.598 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Br)nc1 ZINC000290594226 294130267 /nfs/dbraw/zinc/13/02/67/294130267.db2.gz GRTWPBKKMBXMDN-GXTWGEPZSA-N 1 3 344.297 2.852 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1nccc2ccccc21 ZINC000290638763 294142833 /nfs/dbraw/zinc/14/28/33/294142833.db2.gz JJMHUVTYDFQHHF-INIZCTEOSA-N 1 3 326.488 2.911 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000290664206 294150532 /nfs/dbraw/zinc/15/05/32/294150532.db2.gz GJZAFONVOFSWGC-IBGZPJMESA-N 1 3 341.499 2.642 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C12CCCN1CCC2)C1CC1 ZINC000290664206 294150535 /nfs/dbraw/zinc/15/05/35/294150535.db2.gz GJZAFONVOFSWGC-IBGZPJMESA-N 1 3 341.499 2.642 20 0 EFADHO COC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000290745105 294173217 /nfs/dbraw/zinc/17/32/17/294173217.db2.gz QJIRAZBIFZEVAR-SFHVURJKSA-N 1 3 339.911 2.643 20 0 EFADHO C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCN(Cc2ccccc2)C1 ZINC000290951333 294229225 /nfs/dbraw/zinc/22/92/25/294229225.db2.gz VDCLLQZSSFJEIU-RDJZCZTQSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H](NCc1c[nH]c2nccnc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290951333 294229227 /nfs/dbraw/zinc/22/92/27/294229227.db2.gz VDCLLQZSSFJEIU-RDJZCZTQSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H](NCc1c[nH]c2nccnc12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290951333 294229229 /nfs/dbraw/zinc/22/92/29/294229229.db2.gz VDCLLQZSSFJEIU-RDJZCZTQSA-N 1 3 335.455 2.958 20 0 EFADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCCC2)n(C)c1C ZINC000291229983 294317818 /nfs/dbraw/zinc/31/78/18/294317818.db2.gz PQHMGUJZCNETLT-UHFFFAOYSA-N 1 3 335.492 2.866 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317046 294346358 /nfs/dbraw/zinc/34/63/58/294346358.db2.gz YKDINSQWNIKCBY-ZOBUZTSGSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317046 294346360 /nfs/dbraw/zinc/34/63/60/294346360.db2.gz YKDINSQWNIKCBY-ZOBUZTSGSA-N 1 3 330.476 2.740 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291409155 294373405 /nfs/dbraw/zinc/37/34/05/294373405.db2.gz AGTMIVSMYOHQCH-SJORKVTESA-N 1 3 332.444 2.529 20 0 EFADHO O=C1NCCCC[C@@H]1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291496780 294396975 /nfs/dbraw/zinc/39/69/75/294396975.db2.gz UPOIEKOILLZFAH-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO COCC(C)(C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000291740734 294469609 /nfs/dbraw/zinc/46/96/09/294469609.db2.gz OVTQFVJZXOJMMX-UHFFFAOYSA-N 1 3 333.520 2.979 20 0 EFADHO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000292921475 294825995 /nfs/dbraw/zinc/82/59/95/294825995.db2.gz GHEKZVOQGRLIAH-DYESRHJHSA-N 1 3 345.531 2.858 20 0 EFADHO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000292921478 294826038 /nfs/dbraw/zinc/82/60/38/294826038.db2.gz GHEKZVOQGRLIAH-LAUBAEHRSA-N 1 3 345.531 2.858 20 0 EFADHO COc1cc(NCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)cc(OC)c1 ZINC000423001017 295003188 /nfs/dbraw/zinc/00/31/88/295003188.db2.gz HIYDNOYKTNIHPW-RTBURBONSA-N 1 3 327.428 2.850 20 0 EFADHO CCC[C@H](C)C(=O)NCCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293582142 295004131 /nfs/dbraw/zinc/00/41/31/295004131.db2.gz CCMMSCIEEXSGCZ-IRXDYDNUSA-N 1 3 349.519 2.830 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)CN(C)C ZINC000293720519 295035739 /nfs/dbraw/zinc/03/57/39/295035739.db2.gz PPAQTNFWQJBHPN-DLBZAZTESA-N 1 3 333.476 2.827 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cn1cccn1 ZINC000293868982 295067858 /nfs/dbraw/zinc/06/78/58/295067858.db2.gz YCGVTHWMGNPMBX-HOTGVXAUSA-N 1 3 330.476 2.788 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000293881379 295070554 /nfs/dbraw/zinc/07/05/54/295070554.db2.gz UDZISAXHZIFMGO-PWIZWCRZSA-N 1 3 332.463 2.678 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000293881379 295070556 /nfs/dbraw/zinc/07/05/56/295070556.db2.gz UDZISAXHZIFMGO-PWIZWCRZSA-N 1 3 332.463 2.678 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@@H](CO)CC1)C1CCN(C)CC1 ZINC000293965346 295089041 /nfs/dbraw/zinc/08/90/41/295089041.db2.gz JUNFCVJKVDEIBK-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@@H](CO)CC1)C1CCN(C)CC1 ZINC000293965346 295089043 /nfs/dbraw/zinc/08/90/43/295089043.db2.gz JUNFCVJKVDEIBK-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294124635 295115312 /nfs/dbraw/zinc/11/53/12/295115312.db2.gz DYUIKXRJISKVCW-UHFFFAOYSA-N 1 3 348.491 2.943 20 0 EFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000294604556 295192921 /nfs/dbraw/zinc/19/29/21/295192921.db2.gz DJJNRNCUEAUZQP-OAHLLOKOSA-N 1 3 329.444 2.946 20 0 EFADHO [NH3+]CC[C@@H]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000443058306 295237863 /nfs/dbraw/zinc/23/78/63/295237863.db2.gz JYNRTNFZLUAKQN-HKUYNNGSSA-N 1 3 329.488 2.801 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)cc1 ZINC000422760507 295241958 /nfs/dbraw/zinc/24/19/58/295241958.db2.gz QEPBPAAWVQSAJT-AHRSYUTCSA-N 1 3 331.504 2.810 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000294908224 295244064 /nfs/dbraw/zinc/24/40/64/295244064.db2.gz IXAVDLQQBDATLJ-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO COCC1CCC([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000294956654 295250925 /nfs/dbraw/zinc/25/09/25/295250925.db2.gz DPDCFBNYHNDROB-GQOXECLESA-N 1 3 332.488 2.548 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423048899 295258296 /nfs/dbraw/zinc/25/82/96/295258296.db2.gz JJKLWYNOVCEWIS-UMSONDCASA-N 1 3 344.499 2.862 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926183 295268495 /nfs/dbraw/zinc/26/84/95/295268495.db2.gz CQCBRJUSPGFUBD-RTBURBONSA-N 1 3 329.488 2.920 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295105498 295268726 /nfs/dbraw/zinc/26/87/26/295268726.db2.gz VMMVDLACOGEXMP-HNSVSWJLSA-N 1 3 331.460 2.627 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295105498 295268728 /nfs/dbraw/zinc/26/87/28/295268728.db2.gz VMMVDLACOGEXMP-HNSVSWJLSA-N 1 3 331.460 2.627 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000295107932 295269263 /nfs/dbraw/zinc/26/92/63/295269263.db2.gz WYWMEONJKMYFBF-SFHLNBCPSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000295107932 295269264 /nfs/dbraw/zinc/26/92/64/295269264.db2.gz WYWMEONJKMYFBF-SFHLNBCPSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000295107932 295269265 /nfs/dbraw/zinc/26/92/65/295269265.db2.gz WYWMEONJKMYFBF-SFHLNBCPSA-N 1 3 336.483 2.828 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295179025 295278709 /nfs/dbraw/zinc/27/87/09/295278709.db2.gz MKRQZMZQMKNQGX-GJYPPUQNSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000295179025 295278710 /nfs/dbraw/zinc/27/87/10/295278710.db2.gz MKRQZMZQMKNQGX-GJYPPUQNSA-N 1 3 329.488 2.638 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295189048 295280018 /nfs/dbraw/zinc/28/00/18/295280018.db2.gz NTYHZQRGQHGDHE-YQVWRLOYSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](CCN(C)C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000295199683 295281014 /nfs/dbraw/zinc/28/10/14/295281014.db2.gz PAGAUKAEBZSCHV-OAHLLOKOSA-N 1 3 329.444 2.802 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000295215050 295283444 /nfs/dbraw/zinc/28/34/44/295283444.db2.gz AXVFOCAHQQSSHD-IAGOWNOFSA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000295215050 295283445 /nfs/dbraw/zinc/28/34/45/295283445.db2.gz AXVFOCAHQQSSHD-IAGOWNOFSA-N 1 3 348.487 2.586 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCN(C2CC2)C1 ZINC000295360799 295306686 /nfs/dbraw/zinc/30/66/86/295306686.db2.gz OBBOVIVMIVPIGM-KRWDZBQOSA-N 1 3 341.499 2.839 20 0 EFADHO CC(C)(O)c1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000295412590 295315862 /nfs/dbraw/zinc/31/58/62/295315862.db2.gz MVGLIOJQLYZEBM-VQTJNVASSA-N 1 3 346.515 2.772 20 0 EFADHO C[NH+](C)CCCC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295429951 295319144 /nfs/dbraw/zinc/31/91/44/295319144.db2.gz SZBOWIARTLKYDK-UHFFFAOYSA-N 1 3 331.460 2.571 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)c1 ZINC000422757053 295325858 /nfs/dbraw/zinc/32/58/58/295325858.db2.gz JGCBRTOQDKJULM-DBVUQKKJSA-N 1 3 331.504 2.810 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)c1 ZINC000422757055 295325942 /nfs/dbraw/zinc/32/59/42/295325942.db2.gz JGCBRTOQDKJULM-VDGAXYAQSA-N 1 3 331.504 2.810 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000423040759 295357710 /nfs/dbraw/zinc/35/77/10/295357710.db2.gz VCNGMWUPBDQIMC-BHIYHBOVSA-N 1 3 344.499 2.864 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358858364 297228120 /nfs/dbraw/zinc/22/81/20/297228120.db2.gz QWPCXXVDLAQILD-MDZRGWNJSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521172 298034206 /nfs/dbraw/zinc/03/42/06/298034206.db2.gz XELNAXWCEMYZOT-HZPDHXFCSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCCC1 ZINC000246522342 298085965 /nfs/dbraw/zinc/08/59/65/298085965.db2.gz UYLXRLILCVNCHO-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCCC1 ZINC000246522342 298085967 /nfs/dbraw/zinc/08/59/67/298085967.db2.gz UYLXRLILCVNCHO-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000423023089 298392988 /nfs/dbraw/zinc/39/29/88/298392988.db2.gz IXJYXHLRDYNRBD-FHLIZLRMSA-N 1 3 339.911 2.819 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356232977 298562690 /nfs/dbraw/zinc/56/26/90/298562690.db2.gz HBFOJKAWVUIUQJ-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010424 298892599 /nfs/dbraw/zinc/89/25/99/298892599.db2.gz GFWRJTMQJIKPRO-MISYRCLQSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876011 300225366 /nfs/dbraw/zinc/22/53/66/300225366.db2.gz GVQTYSDSSSTJDN-GVDBMIGSSA-N 1 3 349.544 2.835 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876011 300225369 /nfs/dbraw/zinc/22/53/69/300225369.db2.gz GVQTYSDSSSTJDN-GVDBMIGSSA-N 1 3 349.544 2.835 20 0 EFADHO Cc1ccc([C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)cc1 ZINC000423398399 301806454 /nfs/dbraw/zinc/80/64/54/301806454.db2.gz VIOXZKPZKVHRRD-IRXDYDNUSA-N 1 3 341.421 2.872 20 0 EFADHO Cc1cccc2c(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000422782404 302053453 /nfs/dbraw/zinc/05/34/53/302053453.db2.gz LZCAPTHSTZWDOH-CEXWTWQISA-N 1 3 327.472 2.766 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)CC[C@H]1C)[NH+](C)C ZINC000357281828 302200811 /nfs/dbraw/zinc/20/08/11/302200811.db2.gz KXIBGGFBNMNBHX-LMMKCTJWSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1)N(C)C ZINC000352901916 302200895 /nfs/dbraw/zinc/20/08/95/302200895.db2.gz MOJBTXDKRDXANA-FCEWJHQRSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000352901916 302200898 /nfs/dbraw/zinc/20/08/98/302200898.db2.gz MOJBTXDKRDXANA-FCEWJHQRSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000424470902 302205657 /nfs/dbraw/zinc/20/56/57/302205657.db2.gz BWOLDOJBOJUBLE-HPBDAGMYSA-N 1 3 332.492 2.555 20 0 EFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422804741 304857219 /nfs/dbraw/zinc/85/72/19/304857219.db2.gz LCKAJZDVYVRBOY-PCCBWWKXSA-N 1 3 327.516 2.945 20 0 EFADHO Clc1cccnc1OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297806009 310931365 /nfs/dbraw/zinc/93/13/65/310931365.db2.gz XTXDOFYUSVFDFM-UHFFFAOYSA-N 1 3 332.835 2.767 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@H]3CCn4ccnc43)CC2)cc1 ZINC000297834043 310933486 /nfs/dbraw/zinc/93/34/86/310933486.db2.gz RZDSQPJASJTCJM-IBGZPJMESA-N 1 3 340.471 2.838 20 0 EFADHO C[C@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1F ZINC000298536710 311000927 /nfs/dbraw/zinc/00/09/27/311000927.db2.gz SPBRRKRLPMDVLC-IBGZPJMESA-N 1 3 347.409 2.826 20 0 EFADHO CCCNC(=O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298554607 311002462 /nfs/dbraw/zinc/00/24/62/311002462.db2.gz OMURFILLPNNGAR-NRFANRHFSA-N 1 3 343.515 2.891 20 0 EFADHO CCCNC(=O)CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298554607 311002463 /nfs/dbraw/zinc/00/24/63/311002463.db2.gz OMURFILLPNNGAR-NRFANRHFSA-N 1 3 343.515 2.891 20 0 EFADHO O=C1CCCN1Cc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298557514 311002651 /nfs/dbraw/zinc/00/26/51/311002651.db2.gz VMGNPZRZKRYKTG-UHFFFAOYSA-N 1 3 327.472 2.525 20 0 EFADHO CCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000298571728 311004691 /nfs/dbraw/zinc/00/46/91/311004691.db2.gz DZXLHORPSJQLTJ-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000299141589 311055576 /nfs/dbraw/zinc/05/55/76/311055576.db2.gz IWTSXWRCDNNFHV-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416411 311082589 /nfs/dbraw/zinc/08/25/89/311082589.db2.gz UDDBFRMZDDEJJA-DFQSSKMNSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416411 311082590 /nfs/dbraw/zinc/08/25/90/311082590.db2.gz UDDBFRMZDDEJJA-DFQSSKMNSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416498 311082606 /nfs/dbraw/zinc/08/26/06/311082606.db2.gz UDDBFRMZDDEJJA-YZGWKJHDSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416498 311082607 /nfs/dbraw/zinc/08/26/07/311082607.db2.gz UDDBFRMZDDEJJA-YZGWKJHDSA-N 1 3 334.504 2.837 20 0 EFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000299709303 311112943 /nfs/dbraw/zinc/11/29/43/311112943.db2.gz RZTRHWRXRBRJIL-HXUWFJFHSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872965 311115780 /nfs/dbraw/zinc/11/57/80/311115780.db2.gz FZNPUMTWMHOETN-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872965 311115782 /nfs/dbraw/zinc/11/57/82/311115782.db2.gz FZNPUMTWMHOETN-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000299872965 311115783 /nfs/dbraw/zinc/11/57/83/311115783.db2.gz FZNPUMTWMHOETN-HOTGVXAUSA-N 1 3 325.497 2.706 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(CCO)C(C)(C)C1 ZINC000302552543 311193113 /nfs/dbraw/zinc/19/31/13/311193113.db2.gz QVECLCJMTGULDS-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000325878370 311243510 /nfs/dbraw/zinc/24/35/10/311243510.db2.gz MOYYUQKQPGZKAM-IYWMVGAKSA-N 1 3 337.552 2.634 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000333107868 311568939 /nfs/dbraw/zinc/56/89/39/311568939.db2.gz FXRKDOHVHLGLMW-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO O=C(Nc1ccc2c(c1F)CCNC2)NC1CC[NH+](C2CCC2)CC1 ZINC000333305121 311597533 /nfs/dbraw/zinc/59/75/33/311597533.db2.gz KUUDXLXQTWNRBW-UHFFFAOYSA-N 1 3 346.450 2.610 20 0 EFADHO O=C(NCCCCC[NH2+][C@@H]1CCCNCC1)OCc1ccccc1 ZINC000397748717 311961577 /nfs/dbraw/zinc/96/15/77/311961577.db2.gz AIGORSBYGWKNAS-GOSISDBHSA-N 1 3 333.476 2.815 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCCNCC3)C[C@@H]2C1 ZINC000401139097 311971511 /nfs/dbraw/zinc/97/15/11/311971511.db2.gz XIXXSYZAEISDNV-HZMVEIRTSA-N 1 3 337.508 2.754 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCC3CC3)cc2)CC1 ZINC000414775712 312052689 /nfs/dbraw/zinc/05/26/89/312052689.db2.gz MOWKSSWYBOZZAS-UXHICEINSA-N 1 3 330.472 2.804 20 0 EFADHO CC(C)COc1cccc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776381 312052853 /nfs/dbraw/zinc/05/28/53/312052853.db2.gz HFOYDVATZZKIOP-GOSISDBHSA-N 1 3 332.488 2.909 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414804243 312053659 /nfs/dbraw/zinc/05/36/59/312053659.db2.gz OLPLPZQRUUDQDT-CHWSQXEVSA-N 1 3 332.366 2.853 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000414822906 312054134 /nfs/dbraw/zinc/05/41/34/312054134.db2.gz CYBUMQLOPFHCLR-CQSZACIVSA-N 1 3 335.879 2.534 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414831026 312055463 /nfs/dbraw/zinc/05/54/63/312055463.db2.gz PEECLWJDBBWFSD-OLZOCXBDSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414831026 312055464 /nfs/dbraw/zinc/05/54/64/312055464.db2.gz PEECLWJDBBWFSD-OLZOCXBDSA-N 1 3 339.867 2.655 20 0 EFADHO Cc1cc(Br)cn2c(C[NH2+][C@@H](CN)CC(C)C)cnc12 ZINC000414834024 312055963 /nfs/dbraw/zinc/05/59/63/312055963.db2.gz GFSRJEZAIXTICB-CYBMUJFWSA-N 1 3 339.281 2.868 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414839261 312056608 /nfs/dbraw/zinc/05/66/08/312056608.db2.gz MCJVZRCREXWWED-KGLIPLIRSA-N 1 3 325.884 2.522 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](N)c2ccccc2)CC1 ZINC000414840480 312057215 /nfs/dbraw/zinc/05/72/15/312057215.db2.gz XDJNFMABOPUVKE-FQEVSTJZSA-N 1 3 338.499 2.618 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414928572 312064901 /nfs/dbraw/zinc/06/49/01/312064901.db2.gz QHDVMBQKUVKNEN-CHWSQXEVSA-N 1 3 332.400 2.588 20 0 EFADHO COc1ccc(CNCCC[C@H]2CCC[NH2+]2)c(Br)c1O ZINC000414966513 312068264 /nfs/dbraw/zinc/06/82/64/312068264.db2.gz GLGSIOVKJIJYCN-LBPRGKRZSA-N 1 3 343.265 2.785 20 0 EFADHO FC(F)Oc1cc2c(cc1CNCCC[C@@H]1CCC[NH2+]1)OCO2 ZINC000414977826 312070190 /nfs/dbraw/zinc/07/01/90/312070190.db2.gz RZIJJILYICCXAZ-GFCCVEGCSA-N 1 3 328.359 2.639 20 0 EFADHO COCC1(CNCc2csc(-c3cccs3)n2)CC[NH2+]CC1 ZINC000414983673 312071260 /nfs/dbraw/zinc/07/12/60/312071260.db2.gz ZMSRETCWRZWMDN-UHFFFAOYSA-N 1 3 337.514 2.977 20 0 EFADHO Cc1oc2ccccc2c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993237 312072815 /nfs/dbraw/zinc/07/28/15/312072815.db2.gz UEYKLHOWGPQYCB-MRXNPFEDSA-N 1 3 341.377 2.667 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415000116 312074836 /nfs/dbraw/zinc/07/48/36/312074836.db2.gz JZDYOCIUXBLOMC-DGCLKSJQSA-N 1 3 337.830 2.667 20 0 EFADHO [O-]c1cccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Br ZINC000415000314 312074838 /nfs/dbraw/zinc/07/48/38/312074838.db2.gz ARGKCCYRHMCMEX-QWHCGFSZSA-N 1 3 325.250 2.632 20 0 EFADHO [O-]c1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1Br ZINC000415000314 312074839 /nfs/dbraw/zinc/07/48/39/312074839.db2.gz ARGKCCYRHMCMEX-QWHCGFSZSA-N 1 3 325.250 2.632 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415003016 312075817 /nfs/dbraw/zinc/07/58/17/312075817.db2.gz MXPMWAOCGCKJLS-DOTOQJQBSA-N 1 3 336.451 2.698 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000415003016 312075819 /nfs/dbraw/zinc/07/58/19/312075819.db2.gz MXPMWAOCGCKJLS-DOTOQJQBSA-N 1 3 336.451 2.698 20 0 EFADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000415005237 312076014 /nfs/dbraw/zinc/07/60/14/312076014.db2.gz RIQSEORGWOYRCK-NCXUSEDFSA-N 1 3 349.469 2.731 20 0 EFADHO [NH3+][C@H]1CCC[C@H](CNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415005022 312076116 /nfs/dbraw/zinc/07/61/16/312076116.db2.gz YSNWFENROUMDHL-JQWIXIFHSA-N 1 3 328.359 2.624 20 0 EFADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000415005241 312076176 /nfs/dbraw/zinc/07/61/76/312076176.db2.gz RIQSEORGWOYRCK-WJFTUGDTSA-N 1 3 349.469 2.731 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CNCCC1(F)F ZINC000415007465 312076603 /nfs/dbraw/zinc/07/66/03/312076603.db2.gz URCUJSLNFFNGCR-MRXNPFEDSA-N 1 3 325.447 2.731 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CNCCC1(F)F ZINC000415007465 312076605 /nfs/dbraw/zinc/07/66/05/312076605.db2.gz URCUJSLNFFNGCR-MRXNPFEDSA-N 1 3 325.447 2.731 20 0 EFADHO COc1cc(Br)c(CN[C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415041710 312082048 /nfs/dbraw/zinc/08/20/48/312082048.db2.gz QCYXCNFDCSGBGH-JQWIXIFHSA-N 1 3 343.265 2.683 20 0 EFADHO COc1ccc(OCc2nc(CN[C@H]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000415043803 312082745 /nfs/dbraw/zinc/08/27/45/312082745.db2.gz SAWOMCIEOHXRJQ-KBPBESRZSA-N 1 3 347.484 2.948 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415080739 312089675 /nfs/dbraw/zinc/08/96/75/312089675.db2.gz JOMSCZFDIGKJEZ-QUCCMNQESA-N 1 3 331.504 2.954 20 0 EFADHO C[C@H](C[C@H]1CCC[NH2+]1)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000415083546 312090287 /nfs/dbraw/zinc/09/02/87/312090287.db2.gz NQPMJFHNTJJIDG-MBOZVWFJSA-N 1 3 331.504 2.528 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000415085917 312090887 /nfs/dbraw/zinc/09/08/87/312090887.db2.gz UAASRYVFFDANEG-KBAYOESNSA-N 1 3 329.488 2.972 20 0 EFADHO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415086118 312090939 /nfs/dbraw/zinc/09/09/39/312090939.db2.gz RFDGWOISYVUXGI-IRXDYDNUSA-N 1 3 331.504 2.530 20 0 EFADHO CCOc1ccc(C2(C[NH2+]C[C@H]3CCCNC3)CCOCC2)cc1 ZINC000415086643 312090975 /nfs/dbraw/zinc/09/09/75/312090975.db2.gz JVZWFHSQMDBPQS-KRWDZBQOSA-N 1 3 332.488 2.723 20 0 EFADHO CCOc1ccc(C2(CNC[C@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000415086643 312090978 /nfs/dbraw/zinc/09/09/78/312090978.db2.gz JVZWFHSQMDBPQS-KRWDZBQOSA-N 1 3 332.488 2.723 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415112519 312096349 /nfs/dbraw/zinc/09/63/49/312096349.db2.gz SHNCCXFTMJQACB-VQTJNVASSA-N 1 3 332.488 2.976 20 0 EFADHO CC(C)COc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415130359 312099464 /nfs/dbraw/zinc/09/94/64/312099464.db2.gz QQEAUNKHEGQRMS-SFHVURJKSA-N 1 3 343.475 2.609 20 0 EFADHO COc1ccccc1/C=C\CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130794 312099818 /nfs/dbraw/zinc/09/98/18/312099818.db2.gz XSTJHWUKQSHUNN-YXGQRWQYSA-N 1 3 330.472 2.927 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415131014 312099895 /nfs/dbraw/zinc/09/98/95/312099895.db2.gz YHSLVEHORRPGBX-UYAOXDASSA-N 1 3 332.488 2.976 20 0 EFADHO COc1cc(-c2ccccc2)ccc1CN1CCC(O)(C[NH3+])CC1 ZINC000415142198 312102539 /nfs/dbraw/zinc/10/25/39/312102539.db2.gz PGTOSSDDBPUCQX-UHFFFAOYSA-N 1 3 326.440 2.648 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)C23CCCN2CCC3)c1 ZINC000415153553 312104410 /nfs/dbraw/zinc/10/44/10/312104410.db2.gz ABDWCYZIEJLUDW-UHFFFAOYSA-N 1 3 331.460 2.584 20 0 EFADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000415166388 312106715 /nfs/dbraw/zinc/10/67/15/312106715.db2.gz DUDXVUQOCDLAIB-UHFFFAOYSA-N 1 3 341.499 2.738 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H](C)NC[C@H]2C)cc1 ZINC000415173390 312108201 /nfs/dbraw/zinc/10/82/01/312108201.db2.gz BEZLWHZDTDRJOK-HZPDHXFCSA-N 1 3 348.491 2.621 20 0 EFADHO Cc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)c(OCCN(C)C)c1 ZINC000415207144 312114232 /nfs/dbraw/zinc/11/42/32/312114232.db2.gz TZDMBXIMXQHRIB-QGZVFWFLSA-N 1 3 348.491 2.574 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)CNCC2 ZINC000415881242 312178878 /nfs/dbraw/zinc/17/88/78/312178878.db2.gz HXFZUXMYWUIUGW-UHFFFAOYSA-N 1 3 330.476 2.720 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000415914172 312180870 /nfs/dbraw/zinc/18/08/70/312180870.db2.gz VBBZJNOMMLGWPH-APWZRJJASA-N 1 3 342.487 2.887 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415914172 312180872 /nfs/dbraw/zinc/18/08/72/312180872.db2.gz VBBZJNOMMLGWPH-APWZRJJASA-N 1 3 342.487 2.887 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)c1 ZINC000415937584 312181317 /nfs/dbraw/zinc/18/13/17/312181317.db2.gz XVZWEGCRSGVATN-OAHLLOKOSA-N 1 3 330.476 2.744 20 0 EFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415945284 312182703 /nfs/dbraw/zinc/18/27/03/312182703.db2.gz COFGHNPRJQJEEV-UHFFFAOYSA-N 1 3 332.473 2.803 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949465 312183523 /nfs/dbraw/zinc/18/35/23/312183523.db2.gz BXWXUILUKOBZLD-GUYCJALGSA-N 1 3 346.450 2.562 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415955023 312184987 /nfs/dbraw/zinc/18/49/87/312184987.db2.gz IZQIZIZHVZHRTI-KXBFYZLASA-N 1 3 338.455 2.787 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415961608 312185844 /nfs/dbraw/zinc/18/58/44/312185844.db2.gz RUECXRXDXRETRY-SFHVURJKSA-N 1 3 342.443 2.578 20 0 EFADHO C[NH+]1CCC(CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC1 ZINC000415967070 312187227 /nfs/dbraw/zinc/18/72/27/312187227.db2.gz HAXBLKBDJXAUJO-UHFFFAOYSA-N 1 3 344.381 2.627 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415969795 312187441 /nfs/dbraw/zinc/18/74/41/312187441.db2.gz HCKILGDYUBDOAO-UHFFFAOYSA-N 1 3 348.466 2.811 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972046 312188043 /nfs/dbraw/zinc/18/80/43/312188043.db2.gz OMWWNDQCLWNVGI-LLVKDONJSA-N 1 3 344.381 2.722 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415972273 312188056 /nfs/dbraw/zinc/18/80/56/312188056.db2.gz HZEWQVRZNPHWIR-GOSISDBHSA-N 1 3 326.444 2.878 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972047 312188069 /nfs/dbraw/zinc/18/80/69/312188069.db2.gz OMWWNDQCLWNVGI-NSHDSACASA-N 1 3 344.381 2.722 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cc1 ZINC000415977422 312188876 /nfs/dbraw/zinc/18/88/76/312188876.db2.gz YDTBQNVCOAHSQX-UHFFFAOYSA-N 1 3 330.432 2.595 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415982753 312189957 /nfs/dbraw/zinc/18/99/57/312189957.db2.gz YCYZBAQDIZFAFE-UHFFFAOYSA-N 1 3 332.473 2.803 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000415982950 312190361 /nfs/dbraw/zinc/19/03/61/312190361.db2.gz FNHKHJIPGIXHEF-SFHVURJKSA-N 1 3 326.444 2.830 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccsc1 ZINC000417009888 312194220 /nfs/dbraw/zinc/19/42/20/312194220.db2.gz OABCSFVRRCPSSP-IIAWOOMASA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1ccsc1 ZINC000417009888 312194222 /nfs/dbraw/zinc/19/42/22/312194222.db2.gz OABCSFVRRCPSSP-IIAWOOMASA-N 1 3 338.521 2.523 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000417314968 312208169 /nfs/dbraw/zinc/20/81/69/312208169.db2.gz RPUNQBLHNSHPAV-MJGOQNOKSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC(C)CC1 ZINC000417318259 312208362 /nfs/dbraw/zinc/20/83/62/312208362.db2.gz YKUWBCDNCWBXNQ-KRWDZBQOSA-N 1 3 338.540 2.657 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCCNCC1 ZINC000417351951 312212905 /nfs/dbraw/zinc/21/29/05/312212905.db2.gz DXAFFIAXWDEHNY-UHFFFAOYSA-N 1 3 344.503 2.568 20 0 EFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CC1(C)C ZINC000417357635 312213586 /nfs/dbraw/zinc/21/35/86/312213586.db2.gz HAQHMSJHUPYXAS-QZTJIDSGSA-N 1 3 337.552 2.587 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417357269 312213696 /nfs/dbraw/zinc/21/36/96/312213696.db2.gz QZJFJCRQJLGKHB-RTBURBONSA-N 1 3 344.503 2.525 20 0 EFADHO CCC[NH+]1CCC(CNC(=O)NC[C@H](N)c2ccccc2CC)CC1 ZINC000417373326 312215654 /nfs/dbraw/zinc/21/56/54/312215654.db2.gz ARDLGIOJMMTHHO-IBGZPJMESA-N 1 3 346.519 2.670 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000417376904 312216184 /nfs/dbraw/zinc/21/61/84/312216184.db2.gz CQMXQIXFEWVBQX-ZBFHGGJFSA-N 1 3 341.446 2.617 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417446810 312224609 /nfs/dbraw/zinc/22/46/09/312224609.db2.gz NHTLQADDXBYMCP-DNVCBOLYSA-N 1 3 342.487 2.869 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417446810 312224611 /nfs/dbraw/zinc/22/46/11/312224611.db2.gz NHTLQADDXBYMCP-DNVCBOLYSA-N 1 3 342.487 2.869 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000417553825 312239064 /nfs/dbraw/zinc/23/90/64/312239064.db2.gz VLMZBBXJRJREBC-KDOFPFPSSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000417553825 312239067 /nfs/dbraw/zinc/23/90/67/312239067.db2.gz VLMZBBXJRJREBC-KDOFPFPSSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417595790 312245835 /nfs/dbraw/zinc/24/58/35/312245835.db2.gz YKFWCQJHXWENSR-SJLPKXTDSA-N 1 3 334.508 2.522 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417622042 312248781 /nfs/dbraw/zinc/24/87/81/312248781.db2.gz HYWBHFKXXUXVAI-OAHLLOKOSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417634300 312250323 /nfs/dbraw/zinc/25/03/23/312250323.db2.gz VJQULMIXMDHUJJ-CVEARBPZSA-N 1 3 334.508 2.933 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1NCCc2ccccc21)C(C)(C)C ZINC000417681521 312255966 /nfs/dbraw/zinc/25/59/66/312255966.db2.gz PZDFOBMFKCCGOI-ROUUACIJSA-N 1 3 346.519 2.539 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@@H]2C)CC1 ZINC000417692620 312257538 /nfs/dbraw/zinc/25/75/38/312257538.db2.gz OSOBDSSDCSVQPW-ULQDDVLXSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417691596 312257689 /nfs/dbraw/zinc/25/76/89/312257689.db2.gz NALBQCQKPNOJET-MRXNPFEDSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417698619 312258743 /nfs/dbraw/zinc/25/87/43/312258743.db2.gz GTENBKUWNZAKIC-BQFCYCMXSA-N 1 3 346.519 2.803 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700902 312258869 /nfs/dbraw/zinc/25/88/69/312258869.db2.gz JAOWSTUEYZWNTQ-IRXDYDNUSA-N 1 3 346.519 2.805 20 0 EFADHO N[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000417703199 312259172 /nfs/dbraw/zinc/25/91/72/312259172.db2.gz JTPSITSPWVXXPO-SFHVURJKSA-N 1 3 332.492 2.642 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417704566 312259362 /nfs/dbraw/zinc/25/93/62/312259362.db2.gz LGDQMWKVDJVZKV-VQIMIIECSA-N 1 3 344.503 2.565 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000417704566 312259364 /nfs/dbraw/zinc/25/93/64/312259364.db2.gz LGDQMWKVDJVZKV-VQIMIIECSA-N 1 3 344.503 2.565 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000417710896 312259680 /nfs/dbraw/zinc/25/96/80/312259680.db2.gz VHLQZLPJKBNAPT-CGTJXYLNSA-N 1 3 346.519 2.933 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000417710905 312259707 /nfs/dbraw/zinc/25/97/07/312259707.db2.gz VHLQZLPJKBNAPT-SZMVWBNQSA-N 1 3 346.519 2.933 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417712462 312259978 /nfs/dbraw/zinc/25/99/78/312259978.db2.gz XBIKLGLDGOQIIK-MRXNPFEDSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000417743035 312264140 /nfs/dbraw/zinc/26/41/40/312264140.db2.gz BTDFVJLPFHITPC-ZTFGCOKTSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000417743035 312264142 /nfs/dbraw/zinc/26/41/42/312264142.db2.gz BTDFVJLPFHITPC-ZTFGCOKTSA-N 1 3 332.492 2.592 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000417743869 312264592 /nfs/dbraw/zinc/26/45/92/312264592.db2.gz DLFYABJGGSJXCS-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417750351 312265168 /nfs/dbraw/zinc/26/51/68/312265168.db2.gz NAOIFRCKUSCEIG-IBGZPJMESA-N 1 3 346.519 2.670 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H]1NCCc2ccccc21)C(C)C ZINC000417805889 312272084 /nfs/dbraw/zinc/27/20/84/312272084.db2.gz ZMJDMMPQRWRRET-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417824570 312276432 /nfs/dbraw/zinc/27/64/32/312276432.db2.gz AGIGWUOONLUBMB-ZHALLVOQSA-N 1 3 346.519 2.856 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417837740 312278778 /nfs/dbraw/zinc/27/87/78/312278778.db2.gz XRVFHHVHVPVKJD-UHOSZYNNSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)(C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)[C@H](N)c1ccccc1 ZINC000417847609 312280790 /nfs/dbraw/zinc/28/07/90/312280790.db2.gz KCWMECXDGGPSQB-SWLSCSKDSA-N 1 3 344.484 2.624 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417870094 312286354 /nfs/dbraw/zinc/28/63/54/312286354.db2.gz IIYLSXLSBADVKH-NZSAHSFTSA-N 1 3 346.519 2.664 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000417873925 312286997 /nfs/dbraw/zinc/28/69/97/312286997.db2.gz KCOCZUWTNKASRW-VQIMIIECSA-N 1 3 346.519 2.526 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000417873925 312286998 /nfs/dbraw/zinc/28/69/98/312286998.db2.gz KCOCZUWTNKASRW-VQIMIIECSA-N 1 3 346.519 2.526 20 0 EFADHO CC(C)C[C@H](CNC(=O)N1CCCNCC1)[NH2+][C@H](C)c1ccccc1 ZINC000417873166 312287062 /nfs/dbraw/zinc/28/70/62/312287062.db2.gz LLEFENRJKNWHBU-IEBWSBKVSA-N 1 3 346.519 2.757 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000417873921 312287131 /nfs/dbraw/zinc/28/71/31/312287131.db2.gz KCOCZUWTNKASRW-LPHOPBHVSA-N 1 3 346.519 2.526 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000417873921 312287133 /nfs/dbraw/zinc/28/71/33/312287133.db2.gz KCOCZUWTNKASRW-LPHOPBHVSA-N 1 3 346.519 2.526 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417886891 312289446 /nfs/dbraw/zinc/28/94/46/312289446.db2.gz ZNUXWCYLRSYAJG-DKKFBQAASA-N 1 3 344.503 2.561 20 0 EFADHO Cc1cc(C[NH2+]C2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000417933405 312298072 /nfs/dbraw/zinc/29/80/72/312298072.db2.gz DTXJMBBWPDQESS-HOTGVXAUSA-N 1 3 326.488 2.975 20 0 EFADHO C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCCN1C ZINC000418011335 312309085 /nfs/dbraw/zinc/30/90/85/312309085.db2.gz WUGJNWZYUFYTLV-ZMYBRWDISA-N 1 3 340.471 2.622 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000418017109 312309971 /nfs/dbraw/zinc/30/99/71/312309971.db2.gz RZRDMGCEQRIYCO-BHIYHBOVSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000418043444 312315320 /nfs/dbraw/zinc/31/53/20/312315320.db2.gz ZCSKBUQADBHOSC-UHOSZYNNSA-N 1 3 346.519 2.522 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418104303 312326272 /nfs/dbraw/zinc/32/62/72/312326272.db2.gz XOZXFTVBVOQBPM-MSOLQXFVSA-N 1 3 346.519 2.886 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000418159627 312336718 /nfs/dbraw/zinc/33/67/18/312336718.db2.gz AMTLEEUBZFUCBF-AEFFLSMTSA-N 1 3 346.519 2.947 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(Cl)cc1 ZINC000418160864 312337113 /nfs/dbraw/zinc/33/71/13/312337113.db2.gz BRYVDEZXVJXKTG-CJNGLKHVSA-N 1 3 340.899 2.759 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000418162174 312337561 /nfs/dbraw/zinc/33/75/61/312337561.db2.gz CFCTVHKNNYPTNR-FUHWJXTLSA-N 1 3 346.519 2.675 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000418171066 312339120 /nfs/dbraw/zinc/33/91/20/312339120.db2.gz UFUSKZUOMWEAFJ-ZJIFWQFVSA-N 1 3 336.480 2.526 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418175966 312340317 /nfs/dbraw/zinc/34/03/17/312340317.db2.gz GLEWWABQEYIBAJ-ZIFCJYIRSA-N 1 3 346.519 2.770 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418180789 312341393 /nfs/dbraw/zinc/34/13/93/312341393.db2.gz KTSYQBNGJVVPHZ-NXHRZFHOSA-N 1 3 334.508 2.693 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000418183658 312341700 /nfs/dbraw/zinc/34/17/00/312341700.db2.gz ORBCSFROQXWOBZ-DOTOQJQBSA-N 1 3 334.508 2.613 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000418184038 312341709 /nfs/dbraw/zinc/34/17/09/312341709.db2.gz PKWXKMGSWDTZJV-BBRMVZONSA-N 1 3 340.899 2.759 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C ZINC000418183694 312341779 /nfs/dbraw/zinc/34/17/79/312341779.db2.gz OSYTUNSZSRIVQU-LZQZEXGQSA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000418183660 312341791 /nfs/dbraw/zinc/34/17/91/312341791.db2.gz ORBCSFROQXWOBZ-NVXWUHKLSA-N 1 3 334.508 2.613 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418187095 312342453 /nfs/dbraw/zinc/34/24/53/312342453.db2.gz SPAQDMVQCHAVBJ-MJQMVNBJSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1=CC[NH2+]CC1)N(C)C ZINC000418192435 312344292 /nfs/dbraw/zinc/34/42/92/312344292.db2.gz YTIBHDJXKCJSPS-LPHOPBHVSA-N 1 3 344.503 2.595 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000418192814 312344297 /nfs/dbraw/zinc/34/42/97/312344297.db2.gz YWPWCGSIZFKKTK-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418193052 312344384 /nfs/dbraw/zinc/34/43/84/312344384.db2.gz NDTRTEJDUNRNGQ-NBMJBFSESA-N 1 3 344.503 2.561 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418193476 312344401 /nfs/dbraw/zinc/34/44/01/312344401.db2.gz NQNVGDBEILMRFB-MOPGFXCFSA-N 1 3 346.519 2.621 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418193051 312344405 /nfs/dbraw/zinc/34/44/05/312344405.db2.gz NDTRTEJDUNRNGQ-ISARSNTHSA-N 1 3 344.503 2.561 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418209779 312347431 /nfs/dbraw/zinc/34/74/31/312347431.db2.gz FTABYYJQHHPUQG-HKUYNNGSSA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418224189 312349951 /nfs/dbraw/zinc/34/99/51/312349951.db2.gz ZQMAFEVMKQKSJK-QAPCUYQASA-N 1 3 334.508 2.621 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000418470781 312359047 /nfs/dbraw/zinc/35/90/47/312359047.db2.gz VHMIESCIARSAGX-FPXQBCRKSA-N 1 3 344.503 2.578 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342378 312362319 /nfs/dbraw/zinc/36/23/19/312362319.db2.gz PIBQTXFEQFTYEI-BWPNAZKDSA-N 1 3 343.515 2.616 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1Cl ZINC000420343861 312362820 /nfs/dbraw/zinc/36/28/20/312362820.db2.gz RPQCBWIHLWLJHT-XHSDSOJGSA-N 1 3 349.906 2.839 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343918 312363122 /nfs/dbraw/zinc/36/31/22/312363122.db2.gz SAWBGCMOAWBALN-HDEZJCGLSA-N 1 3 349.906 2.837 20 0 EFADHO Fc1ccc2[nH]cc(CCCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2c1 ZINC000423109476 312411998 /nfs/dbraw/zinc/41/19/98/312411998.db2.gz HFGVXDZGTIWHTO-NLWGTHIKSA-N 1 3 345.462 2.986 20 0 EFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCOCC2)c1 ZINC000423356490 312415171 /nfs/dbraw/zinc/41/51/71/312415171.db2.gz JXVXGHYUUNXHTO-INIZCTEOSA-N 1 3 337.467 2.977 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423371040 312416937 /nfs/dbraw/zinc/41/69/37/312416937.db2.gz AEYKKCVTJRGYTD-CABCVRRESA-N 1 3 347.812 2.753 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H](C)[NH3+] ZINC000423386039 312418724 /nfs/dbraw/zinc/41/87/24/312418724.db2.gz LTKFDZMYCPFTNR-MAUKXSAKSA-N 1 3 349.544 2.836 20 0 EFADHO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000423512059 312427495 /nfs/dbraw/zinc/42/74/95/312427495.db2.gz UKWKPROBZWTRGT-KXBFYZLASA-N 1 3 336.443 2.793 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423746678 312447630 /nfs/dbraw/zinc/44/76/30/312447630.db2.gz OHUYGYADZHOSSM-NVXWUHKLSA-N 1 3 337.895 2.605 20 0 EFADHO C[NH2+]CCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423753820 312449009 /nfs/dbraw/zinc/44/90/09/312449009.db2.gz HNKYKSXZRAYDFY-UHFFFAOYSA-N 1 3 337.895 2.764 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423755834 312449199 /nfs/dbraw/zinc/44/91/99/312449199.db2.gz GEDRKZBTJODAOI-FUHWJXTLSA-N 1 3 335.467 2.624 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423756193 312449532 /nfs/dbraw/zinc/44/95/32/312449532.db2.gz GFWVGYBRPRKKDN-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@@H](C)[NH3+] ZINC000423843359 312468987 /nfs/dbraw/zinc/46/89/87/312468987.db2.gz KPVSKUJEMBMMOD-VQIMIIECSA-N 1 3 346.519 2.775 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423845970 312469468 /nfs/dbraw/zinc/46/94/68/312469468.db2.gz KWURVONTTATDLW-BPAFIMBUSA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)C3(C[NH3+])CCCC3)c2)CC1 ZINC000423856673 312472458 /nfs/dbraw/zinc/47/24/58/312472458.db2.gz XVNBQBWKTNMQLM-UHFFFAOYSA-N 1 3 344.503 2.675 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)c1cccc(CN3CCCC3)c1)CC[NH2+]CC2 ZINC000424236826 312513288 /nfs/dbraw/zinc/51/32/88/312513288.db2.gz LRGGDKGZMUMXGT-QGZVFWFLSA-N 1 3 341.499 2.887 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449364646 312689436 /nfs/dbraw/zinc/68/94/36/312689436.db2.gz NVNVYDFISXNNOA-NRFANRHFSA-N 1 3 337.467 2.926 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449364647 312689596 /nfs/dbraw/zinc/68/95/96/312689596.db2.gz NVNVYDFISXNNOA-OAQYLSRUSA-N 1 3 337.467 2.926 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000453089584 312859698 /nfs/dbraw/zinc/85/96/98/312859698.db2.gz OFZPSAMNCPFLCJ-OAHLLOKOSA-N 1 3 330.501 2.971 20 0 EFADHO CN(C)CCOCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453223011 312882092 /nfs/dbraw/zinc/88/20/92/312882092.db2.gz OTNKBAFKUKVEIA-ROUUACIJSA-N 1 3 340.895 2.598 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCN3CCCCC3)ccc21 ZINC000455922535 312995805 /nfs/dbraw/zinc/99/58/05/312995805.db2.gz MFASCTDJYPJUMK-GOSISDBHSA-N 1 3 330.476 2.843 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000458049006 313062202 /nfs/dbraw/zinc/06/22/02/313062202.db2.gz PEQOBMAXWLBSFC-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000458049006 313062205 /nfs/dbraw/zinc/06/22/05/313062205.db2.gz PEQOBMAXWLBSFC-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CCC1(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000458132192 313076654 /nfs/dbraw/zinc/07/66/54/313076654.db2.gz QOSLMRSMBDTAOO-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000462452820 313114507 /nfs/dbraw/zinc/11/45/07/313114507.db2.gz AVAIYOATGYQEHD-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000470245994 313130469 /nfs/dbraw/zinc/13/04/69/313130469.db2.gz DBGWUTZQVOZYJU-LBTNJELSSA-N 1 3 342.886 2.950 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2c(F)cccc2Cl)[C@H](C)C1 ZINC000470245994 313130470 /nfs/dbraw/zinc/13/04/70/313130470.db2.gz DBGWUTZQVOZYJU-LBTNJELSSA-N 1 3 342.886 2.950 20 0 EFADHO Cn1cc(CC[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cn1 ZINC000471866112 313168586 /nfs/dbraw/zinc/16/85/86/313168586.db2.gz QAOFIJBCDXPEDD-WOJBJXKFSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CC[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cn1 ZINC000471866112 313168590 /nfs/dbraw/zinc/16/85/90/313168590.db2.gz QAOFIJBCDXPEDD-WOJBJXKFSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CCN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471866112 313168592 /nfs/dbraw/zinc/16/85/92/313168592.db2.gz QAOFIJBCDXPEDD-WOJBJXKFSA-N 1 3 326.488 2.635 20 0 EFADHO Cc1nn(C)cc1CN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472348504 313188008 /nfs/dbraw/zinc/18/80/08/313188008.db2.gz QKEKYIRYNVQORQ-ICSRJNTNSA-N 1 3 326.488 2.901 20 0 EFADHO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475017718 313214374 /nfs/dbraw/zinc/21/43/74/313214374.db2.gz RMAPGLNOVYRUFN-OALUTQOASA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475017718 313214376 /nfs/dbraw/zinc/21/43/76/313214376.db2.gz RMAPGLNOVYRUFN-OALUTQOASA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000475100646 313217530 /nfs/dbraw/zinc/21/75/30/313217530.db2.gz JQYLVRRAJJHYOE-FUHWJXTLSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]2CCCC[C@H]21 ZINC000475134020 313218393 /nfs/dbraw/zinc/21/83/93/313218393.db2.gz ZLSBMUISNCBAPB-GSEOLPGOSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]2CCCC[C@H]21 ZINC000475134020 313218396 /nfs/dbraw/zinc/21/83/96/313218396.db2.gz ZLSBMUISNCBAPB-GSEOLPGOSA-N 1 3 343.515 2.916 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CCCC1 ZINC000484777525 313323493 /nfs/dbraw/zinc/32/34/93/313323493.db2.gz QVLGJMHVKXQBHO-YRPNKDGESA-N 1 3 337.552 2.634 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)CC1 ZINC000487287877 313382796 /nfs/dbraw/zinc/38/27/96/313382796.db2.gz KYTWOUNJDRSSKH-UPHRSURJSA-N 1 3 337.467 2.841 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749764 314817312 /nfs/dbraw/zinc/81/73/12/314817312.db2.gz NDZHNGIHPUNMEE-BPUTZDHNSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000495926838 314880579 /nfs/dbraw/zinc/88/05/79/314880579.db2.gz HFWFWNSIDGXLSX-HNNXBMFYSA-N 1 3 348.491 2.943 20 0 EFADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCOC2=O)c1 ZINC000496063434 314931013 /nfs/dbraw/zinc/93/10/13/314931013.db2.gz DDZMPOQUWZNWRA-AWEZNQCLSA-N 1 3 325.412 2.953 20 0 EFADHO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCCCN1C ZINC000496289062 315013607 /nfs/dbraw/zinc/01/36/07/315013607.db2.gz CKAXSPTUDJIAOE-JYJNAYRXSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCCCN1C ZINC000496289062 315013610 /nfs/dbraw/zinc/01/36/10/315013610.db2.gz CKAXSPTUDJIAOE-JYJNAYRXSA-N 1 3 325.497 2.848 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462692 315075236 /nfs/dbraw/zinc/07/52/36/315075236.db2.gz RGQJDLBWWVEVGV-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462692 315075237 /nfs/dbraw/zinc/07/52/37/315075237.db2.gz RGQJDLBWWVEVGV-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462692 315075238 /nfs/dbraw/zinc/07/52/38/315075238.db2.gz RGQJDLBWWVEVGV-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462692 315075239 /nfs/dbraw/zinc/07/52/39/315075239.db2.gz RGQJDLBWWVEVGV-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H](NCC[C@H]2CCC[NH2+]2)CC1 ZINC000496492986 315086883 /nfs/dbraw/zinc/08/68/83/315086883.db2.gz OVBFSMDKXAAZDX-SJORKVTESA-N 1 3 331.460 2.772 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000496548026 315106449 /nfs/dbraw/zinc/10/64/49/315106449.db2.gz GVHBTQHSVMRRBQ-CRAIPNDOSA-N 1 3 345.487 2.679 20 0 EFADHO CC[N@H+](CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1)CC(C)C ZINC000496596390 315124364 /nfs/dbraw/zinc/12/43/64/315124364.db2.gz PLYMQSPLWWZRSZ-QGZVFWFLSA-N 1 3 325.497 2.517 20 0 EFADHO CC[N@@H+](CCC1CCN(C[C@H]2CN(C)C(=O)O2)CC1)CC(C)C ZINC000496596390 315124366 /nfs/dbraw/zinc/12/43/66/315124366.db2.gz PLYMQSPLWWZRSZ-QGZVFWFLSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@H](NCC1=CC[N@H+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496639141 315140823 /nfs/dbraw/zinc/14/08/23/315140823.db2.gz HYEPHXKIHYFPNS-AWEZNQCLSA-N 1 3 346.475 2.763 20 0 EFADHO C[C@H](NCC1=CC[N@@H+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496639141 315140826 /nfs/dbraw/zinc/14/08/26/315140826.db2.gz HYEPHXKIHYFPNS-AWEZNQCLSA-N 1 3 346.475 2.763 20 0 EFADHO COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000496691514 315159192 /nfs/dbraw/zinc/15/91/92/315159192.db2.gz AIYXINUDXOMSQT-ZDUSSCGKSA-N 1 3 342.443 2.920 20 0 EFADHO CN1CCC2(CCC[N@@H+]2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496699767 315162655 /nfs/dbraw/zinc/16/26/55/315162655.db2.gz HKUZOADLVHLMAE-QFBILLFUSA-N 1 3 349.519 2.804 20 0 EFADHO CN1CCC2(CCC[N@H+]2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496699767 315162658 /nfs/dbraw/zinc/16/26/58/315162658.db2.gz HKUZOADLVHLMAE-QFBILLFUSA-N 1 3 349.519 2.804 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496758085 315184825 /nfs/dbraw/zinc/18/48/25/315184825.db2.gz LLBNOILBBKRLNK-QAPCUYQASA-N 1 3 331.460 2.518 20 0 EFADHO C[N@@H+]1CCCC[C@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496792110 315197666 /nfs/dbraw/zinc/19/76/66/315197666.db2.gz HYASATCUHTYCQR-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCCC[C@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496792110 315197669 /nfs/dbraw/zinc/19/76/69/315197669.db2.gz HYASATCUHTYCQR-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496846451 315217914 /nfs/dbraw/zinc/21/79/14/315217914.db2.gz LNJUPXHDKAROQD-MJGOQNOKSA-N 1 3 345.487 2.895 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000496900341 315236477 /nfs/dbraw/zinc/23/64/77/315236477.db2.gz GMGHLBQVVIZXOD-JKSUJKDBSA-N 1 3 337.508 2.707 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000496900341 315236479 /nfs/dbraw/zinc/23/64/79/315236479.db2.gz GMGHLBQVVIZXOD-JKSUJKDBSA-N 1 3 337.508 2.707 20 0 EFADHO O=C1NC2(CO1)CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000496908243 315239585 /nfs/dbraw/zinc/23/95/85/315239585.db2.gz MDGDZNXANNNEDD-UHFFFAOYSA-N 1 3 343.471 2.747 20 0 EFADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960775 315258696 /nfs/dbraw/zinc/25/86/96/315258696.db2.gz USTXPIGKYNFGEY-VQIMIIECSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[C@H](CN)C[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960775 315258699 /nfs/dbraw/zinc/25/86/99/315258699.db2.gz USTXPIGKYNFGEY-VQIMIIECSA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[C@H]1CCCN1C ZINC000496962241 315259229 /nfs/dbraw/zinc/25/92/29/315259229.db2.gz YZOKPKVPVKPFSP-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497011511 315277144 /nfs/dbraw/zinc/27/71/44/315277144.db2.gz QEKSOJYRSSFICN-VQIMIIECSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497011509 315277275 /nfs/dbraw/zinc/27/72/75/315277275.db2.gz QEKSOJYRSSFICN-LPHOPBHVSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2CCC[NH3+])C1 ZINC000497176322 315338068 /nfs/dbraw/zinc/33/80/68/315338068.db2.gz HQZJMEKPXIKKJO-HZPDHXFCSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CCCN)C1 ZINC000497176322 315338070 /nfs/dbraw/zinc/33/80/70/315338070.db2.gz HQZJMEKPXIKKJO-HZPDHXFCSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2CCCN)C1 ZINC000497176322 315338074 /nfs/dbraw/zinc/33/80/74/315338074.db2.gz HQZJMEKPXIKKJO-HZPDHXFCSA-N 1 3 325.497 2.837 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@H]2CCCC[NH2+]C2)CC1 ZINC000497261404 315370769 /nfs/dbraw/zinc/37/07/69/315370769.db2.gz MOBROVRFNYYTEZ-IRXDYDNUSA-N 1 3 331.460 2.772 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000497304413 315386727 /nfs/dbraw/zinc/38/67/27/315386727.db2.gz LZOLTIBYDJQVNZ-UONOGXRCSA-N 1 3 325.497 2.752 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000497818524 315397237 /nfs/dbraw/zinc/39/72/37/315397237.db2.gz VFLDFIIBUSWRFS-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000497818524 315397239 /nfs/dbraw/zinc/39/72/39/315397239.db2.gz VFLDFIIBUSWRFS-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1C ZINC000514588726 315542344 /nfs/dbraw/zinc/54/23/44/315542344.db2.gz UICBFOPKFPLOMH-RTBURBONSA-N 1 3 334.508 2.628 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000514870994 315571370 /nfs/dbraw/zinc/57/13/70/315571370.db2.gz OYEMHMBMBCPCQA-FQEVSTJZSA-N 1 3 331.504 2.556 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000520541345 315964519 /nfs/dbraw/zinc/96/45/19/315964519.db2.gz HZOSTOIVQYSVKD-CRAIPNDOSA-N 1 3 346.500 2.857 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000521785495 316043065 /nfs/dbraw/zinc/04/30/65/316043065.db2.gz RVEMGMYBXQAVKH-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000521785495 316043067 /nfs/dbraw/zinc/04/30/67/316043067.db2.gz RVEMGMYBXQAVKH-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000521995801 316060176 /nfs/dbraw/zinc/06/01/76/316060176.db2.gz QWSWDPNTOJYBOJ-SFHVURJKSA-N 1 3 334.504 2.841 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(C)c1 ZINC000522286983 316087106 /nfs/dbraw/zinc/08/71/06/316087106.db2.gz ZLMLNRIRNIKCRB-FQEVSTJZSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(C)c1 ZINC000522286983 316087110 /nfs/dbraw/zinc/08/71/10/316087110.db2.gz ZLMLNRIRNIKCRB-FQEVSTJZSA-N 1 3 345.531 2.720 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC[NH+]1CCCC1 ZINC000523471549 316125963 /nfs/dbraw/zinc/12/59/63/316125963.db2.gz PZECHZXKPZUSFZ-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527348325 316371758 /nfs/dbraw/zinc/37/17/58/316371758.db2.gz PKEHPISROOZSEK-MJGOQNOKSA-N 1 3 327.476 2.649 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527348325 316371761 /nfs/dbraw/zinc/37/17/61/316371761.db2.gz PKEHPISROOZSEK-MJGOQNOKSA-N 1 3 327.476 2.649 20 0 EFADHO c1cc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cs1 ZINC000527361445 316373550 /nfs/dbraw/zinc/37/35/50/316373550.db2.gz KPUIQTKOCDKOEU-AWEZNQCLSA-N 1 3 346.500 2.729 20 0 EFADHO COc1ccc([C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C2CC2)cn1 ZINC000528851258 316738305 /nfs/dbraw/zinc/73/83/05/316738305.db2.gz LVLKMABUWARNES-FQEVSTJZSA-N 1 3 346.519 2.547 20 0 EFADHO CO[C@H](CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000530226170 317084939 /nfs/dbraw/zinc/08/49/39/317084939.db2.gz QGLRQYCMXWJDMD-IPMKNSEASA-N 1 3 336.451 2.732 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248786 317090967 /nfs/dbraw/zinc/09/09/67/317090967.db2.gz PAJIMXVFROWALS-GOSISDBHSA-N 1 3 348.535 2.845 20 0 EFADHO c1cc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530248438 317091305 /nfs/dbraw/zinc/09/13/05/317091305.db2.gz KPXYLBDSEMSXAR-KRWDZBQOSA-N 1 3 346.500 2.729 20 0 EFADHO c1nc(-c2ccccc2)[nH]c1CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249641 317091944 /nfs/dbraw/zinc/09/19/44/317091944.db2.gz WZSIFKILKURLCN-LJQANCHMSA-N 1 3 340.471 2.667 20 0 EFADHO CC(C)[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000530880870 317190686 /nfs/dbraw/zinc/19/06/86/317190686.db2.gz XXUCCRXWFDCLPC-IBGZPJMESA-N 1 3 333.520 2.768 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000531123005 317223093 /nfs/dbraw/zinc/22/30/93/317223093.db2.gz QXSKFEMPEVLTOC-LJQANCHMSA-N 1 3 346.519 2.532 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@@H+]1C1CC1 ZINC000531482636 317273794 /nfs/dbraw/zinc/27/37/94/317273794.db2.gz NAGNPURGNLEWCD-KSSFIOAISA-N 1 3 336.439 2.602 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccc(Nc3ccncc3)cc2)C[N@H+]1C1CC1 ZINC000531482636 317273798 /nfs/dbraw/zinc/27/37/98/317273798.db2.gz NAGNPURGNLEWCD-KSSFIOAISA-N 1 3 336.439 2.602 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)NC1CC[NH+](C2CCC2)CC1 ZINC000531948922 317335839 /nfs/dbraw/zinc/33/58/39/317335839.db2.gz WFTISYOSVLOJRT-QGZVFWFLSA-N 1 3 343.515 2.730 20 0 EFADHO CC[C@@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000531959349 317335993 /nfs/dbraw/zinc/33/59/93/317335993.db2.gz WREBZWAZIIHNKX-HXUWFJFHSA-N 1 3 334.504 2.964 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959417 317336582 /nfs/dbraw/zinc/33/65/82/317336582.db2.gz PDOSPSHRSJLHAL-MSOLQXFVSA-N 1 3 333.520 2.928 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959420 317336702 /nfs/dbraw/zinc/33/67/02/317336702.db2.gz PDOSPSHRSJLHAL-ZWKOTPCHSA-N 1 3 333.520 2.928 20 0 EFADHO c1cnc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cn1 ZINC000532248525 317374272 /nfs/dbraw/zinc/37/42/72/317374272.db2.gz VPJWTCWMSGSTOF-UHFFFAOYSA-N 1 3 343.519 2.832 20 0 EFADHO c1cnc(N2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)cn1 ZINC000532248525 317374276 /nfs/dbraw/zinc/37/42/76/317374276.db2.gz VPJWTCWMSGSTOF-UHFFFAOYSA-N 1 3 343.519 2.832 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCCC2 ZINC000538397965 317694399 /nfs/dbraw/zinc/69/43/99/317694399.db2.gz GXFDJYGLGYYPIA-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H](NCCOC[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483475 318112963 /nfs/dbraw/zinc/11/29/63/318112963.db2.gz UVKYJZFHROAZEW-DFQSSKMNSA-N 1 3 332.488 2.682 20 0 EFADHO C[C@H](NCCOC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483475 318112965 /nfs/dbraw/zinc/11/29/65/318112965.db2.gz UVKYJZFHROAZEW-DFQSSKMNSA-N 1 3 332.488 2.682 20 0 EFADHO CC(C)N1CCN(CCC[NH2+]C2(c3ccccc3)CCOCC2)CC1 ZINC000548783762 318143353 /nfs/dbraw/zinc/14/33/53/318143353.db2.gz PTVJBRXIFOEBOI-UHFFFAOYSA-N 1 3 345.531 2.698 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCCC[NH+]1CCCCC1 ZINC000551419624 318207343 /nfs/dbraw/zinc/20/73/43/318207343.db2.gz PBZOAIAMPJZYNZ-HKUYNNGSSA-N 1 3 332.488 2.872 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000552279520 318250840 /nfs/dbraw/zinc/25/08/40/318250840.db2.gz OZOTWTGSHPZYPS-KRWDZBQOSA-N 1 3 349.494 2.729 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675141 318261136 /nfs/dbraw/zinc/26/11/36/318261136.db2.gz KLBIQKVQJLTCBQ-WBVHZDCISA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675141 318261139 /nfs/dbraw/zinc/26/11/39/318261139.db2.gz KLBIQKVQJLTCBQ-WBVHZDCISA-N 1 3 337.895 2.791 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)ccn3)CC2)CC1 ZINC000552853382 318264830 /nfs/dbraw/zinc/26/48/30/318264830.db2.gz ZUPSRBGOKHWIEQ-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000552966075 318267122 /nfs/dbraw/zinc/26/71/22/318267122.db2.gz HPMSQQBRUJQTJD-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061264 318269545 /nfs/dbraw/zinc/26/95/45/318269545.db2.gz XFQMHXOWMUNDCL-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061264 318269547 /nfs/dbraw/zinc/26/95/47/318269547.db2.gz XFQMHXOWMUNDCL-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC000553072074 318270030 /nfs/dbraw/zinc/27/00/30/318270030.db2.gz GCRANPQERMOHMZ-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553127432 318271536 /nfs/dbraw/zinc/27/15/36/318271536.db2.gz HHBVHCHRNMLYQM-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553127432 318271538 /nfs/dbraw/zinc/27/15/38/318271538.db2.gz HHBVHCHRNMLYQM-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000554522846 318320100 /nfs/dbraw/zinc/32/01/00/318320100.db2.gz WSEVCHPVTOUVBH-VQIMIIECSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556685826 318398869 /nfs/dbraw/zinc/39/88/69/318398869.db2.gz HTEUMXCGKGLQPH-KSZLIROESA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556685826 318398870 /nfs/dbraw/zinc/39/88/70/318398870.db2.gz HTEUMXCGKGLQPH-KSZLIROESA-N 1 3 337.552 2.932 20 0 EFADHO Cc1cc(N2CCC(N[C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)nc(C)n1 ZINC000556952069 318420913 /nfs/dbraw/zinc/42/09/13/318420913.db2.gz VTCXUWWMGPOSSN-BEFAXECRSA-N 1 3 345.535 2.963 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563562373 318797274 /nfs/dbraw/zinc/79/72/74/318797274.db2.gz WZFOMROQZAMBPT-HKUYNNGSSA-N 1 3 344.503 2.512 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000565489981 318976439 /nfs/dbraw/zinc/97/64/39/318976439.db2.gz FKGJTOVGKMGPIF-BPLDGKMQSA-N 1 3 346.393 2.596 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000565946377 319017253 /nfs/dbraw/zinc/01/72/53/319017253.db2.gz PMFKMFLQDGJMDC-HXUWFJFHSA-N 1 3 334.504 2.938 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000565946377 319017254 /nfs/dbraw/zinc/01/72/54/319017254.db2.gz PMFKMFLQDGJMDC-HXUWFJFHSA-N 1 3 334.504 2.938 20 0 EFADHO CCOc1ccc(CCC2CCN(CCN3CC[NH2+]CC3)CC2)cc1 ZINC000565951264 319017604 /nfs/dbraw/zinc/01/76/04/319017604.db2.gz OPZWWVJWGRVIAP-UHFFFAOYSA-N 1 3 345.531 2.635 20 0 EFADHO CN(C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(Cl)cc1 ZINC000566182403 319045171 /nfs/dbraw/zinc/04/51/71/319045171.db2.gz IZBHINXQGXDMID-GOSISDBHSA-N 1 3 343.858 2.976 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NCc2ccc(C[NH3+])cc2)cc1 ZINC000566245551 319051810 /nfs/dbraw/zinc/05/18/10/319051810.db2.gz NLDRZRVETPJJLU-FQEVSTJZSA-N 1 3 335.455 2.966 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)C1CCCCC1 ZINC000566289021 319057970 /nfs/dbraw/zinc/05/79/70/319057970.db2.gz SWOZSJYDHZVHEN-OALUTQOASA-N 1 3 329.488 2.500 20 0 EFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000566298938 319059618 /nfs/dbraw/zinc/05/96/18/319059618.db2.gz KUKFKZWFPFMENR-KRWDZBQOSA-N 1 3 335.492 2.980 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC(CC[NH3+])CC1 ZINC000566316494 319062186 /nfs/dbraw/zinc/06/21/86/319062186.db2.gz BRBBDVVUEKZCDN-UHFFFAOYSA-N 1 3 346.427 2.789 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000566447912 319077654 /nfs/dbraw/zinc/07/76/54/319077654.db2.gz PXTOPVFWZPPQHN-APWZRJJASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1CC[C@@H](C)N1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566449041 319077719 /nfs/dbraw/zinc/07/77/19/319077719.db2.gz PAQBBXJGNVAKFA-SJLPKXTDSA-N 1 3 335.536 2.972 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+]C1(CCO)CCN(C)CC1 ZINC000566473950 319081512 /nfs/dbraw/zinc/08/15/12/319081512.db2.gz BZFGQACTSNCFND-UHFFFAOYSA-N 1 3 347.547 2.581 20 0 EFADHO C[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@@H]1COc2ccccc21 ZINC000566556816 319089178 /nfs/dbraw/zinc/08/91/78/319089178.db2.gz DYLQGOJQLTWMSB-DYVFJYSZSA-N 1 3 327.428 2.796 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@@H](C)[NH3+] ZINC000566622028 319095677 /nfs/dbraw/zinc/09/56/77/319095677.db2.gz OQSCDUSTBOQZAQ-VQIMIIECSA-N 1 3 346.519 2.766 20 0 EFADHO CN(C)[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000566794731 319111530 /nfs/dbraw/zinc/11/15/30/319111530.db2.gz CWWGCVPVOKWNMG-ROUUACIJSA-N 1 3 345.874 2.629 20 0 EFADHO C[C@H](C(=O)NCCC[NH2+]C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000566799964 319112133 /nfs/dbraw/zinc/11/21/33/319112133.db2.gz PLYMFQLZEIPYQN-QGZVFWFLSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000567226886 319151122 /nfs/dbraw/zinc/15/11/22/319151122.db2.gz VSXGTAFGKHEKJX-NZSAHSFTSA-N 1 3 347.478 2.764 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC000567228083 319151638 /nfs/dbraw/zinc/15/16/38/319151638.db2.gz FJVZJASCCTYIKA-XLIONFOSSA-N 1 3 342.483 2.881 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365191 319164836 /nfs/dbraw/zinc/16/48/36/319164836.db2.gz OKJWDVHZTOPJHR-QFBILLFUSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365191 319164837 /nfs/dbraw/zinc/16/48/37/319164837.db2.gz OKJWDVHZTOPJHR-QFBILLFUSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365191 319164840 /nfs/dbraw/zinc/16/48/40/319164840.db2.gz OKJWDVHZTOPJHR-QFBILLFUSA-N 1 3 328.456 2.621 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000567382992 319166427 /nfs/dbraw/zinc/16/64/27/319166427.db2.gz GEDICRYMMFMMNK-JENIJYKNSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H](NCC1CC[NH2+]CC1)c1ccccc1I ZINC000567639469 319191506 /nfs/dbraw/zinc/19/15/06/319191506.db2.gz RHZQGGBLZUANFF-LLVKDONJSA-N 1 3 344.240 2.941 20 0 EFADHO N[C@@H]1Cc2ccccc2N(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000567661446 319193092 /nfs/dbraw/zinc/19/30/92/319193092.db2.gz SKEWFPPMZNNDQU-ZWKOTPCHSA-N 1 3 329.488 2.981 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000567660132 319193169 /nfs/dbraw/zinc/19/31/69/319193169.db2.gz GRJMZPHHBZCCNY-YTQUADARSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NCCC(=O)Nc1cc(F)cc(F)c1)C(C)(C)C[NH+](C)C ZINC000567690069 319198270 /nfs/dbraw/zinc/19/82/70/319198270.db2.gz XODFNANWLJLFJP-LBPRGKRZSA-N 1 3 327.419 2.859 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000567700158 319200203 /nfs/dbraw/zinc/20/02/03/319200203.db2.gz GEEDZLLCXLNGQM-SFHVURJKSA-N 1 3 334.504 2.755 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc2)CC1 ZINC000567709210 319201698 /nfs/dbraw/zinc/20/16/98/319201698.db2.gz MDYFRFVKRNCLLX-CQSZACIVSA-N 1 3 346.393 2.563 20 0 EFADHO C[C@@H](CCNCCC(=O)Nc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000567726007 319203763 /nfs/dbraw/zinc/20/37/63/319203763.db2.gz UMGYFFHVRVADDH-KRWDZBQOSA-N 1 3 340.471 2.910 20 0 EFADHO C[C@@H](CCNCCC(=O)Nc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000567726007 319203766 /nfs/dbraw/zinc/20/37/66/319203766.db2.gz UMGYFFHVRVADDH-KRWDZBQOSA-N 1 3 340.471 2.910 20 0 EFADHO CC(C)c1nc(CNCCN2CCC([NH+](C)C)CC2)c2ccccn21 ZINC000568033660 319239054 /nfs/dbraw/zinc/23/90/54/319239054.db2.gz VLTAJASIFNASLO-UHFFFAOYSA-N 1 3 343.519 2.573 20 0 EFADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](N)c4ccccc43)C2)ncn1 ZINC000568075247 319244656 /nfs/dbraw/zinc/24/46/56/319244656.db2.gz HMDSAEQBENIREX-IPELMVKDSA-N 1 3 337.471 2.742 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000568162241 319251982 /nfs/dbraw/zinc/25/19/82/319251982.db2.gz RZBKALVSHOLZHY-HLIPFELVSA-N 1 3 343.515 2.668 20 0 EFADHO COc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)O[C@@H](C)C2 ZINC000568174580 319253811 /nfs/dbraw/zinc/25/38/11/319253811.db2.gz SQNKBCXUCCXKSR-AWEZNQCLSA-N 1 3 330.472 2.983 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCCC[C@@H]1C ZINC000568193135 319256492 /nfs/dbraw/zinc/25/64/92/319256492.db2.gz BMWSMVVMSRSBNN-IRXDYDNUSA-N 1 3 331.504 2.783 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000568383856 319278276 /nfs/dbraw/zinc/27/82/76/319278276.db2.gz MGLAKYCBVOUATM-RTBURBONSA-N 1 3 334.504 2.753 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000568396287 319280278 /nfs/dbraw/zinc/28/02/78/319280278.db2.gz CLYLHBIQUIPSAN-SFHVURJKSA-N 1 3 338.455 2.652 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000568414966 319282704 /nfs/dbraw/zinc/28/27/04/319282704.db2.gz AZWMWCQMESFMFW-RNJTYBCJSA-N 1 3 333.451 2.737 20 0 EFADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638776 319304432 /nfs/dbraw/zinc/30/44/32/319304432.db2.gz FUAPAGSMSVSFFF-KDOFPFPSSA-N 1 3 340.895 2.574 20 0 EFADHO CNC[C@](C)(O)C[N@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638776 319304434 /nfs/dbraw/zinc/30/44/34/319304434.db2.gz FUAPAGSMSVSFFF-KDOFPFPSSA-N 1 3 340.895 2.574 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000568745948 319314593 /nfs/dbraw/zinc/31/45/93/319314593.db2.gz JMYJSRWJRNGBAO-GFCCVEGCSA-N 1 3 327.856 2.607 20 0 EFADHO Cc1nc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]c1C ZINC000568783194 319318698 /nfs/dbraw/zinc/31/86/98/319318698.db2.gz PLKJLIYYRSEHGP-UHFFFAOYSA-N 1 3 342.487 2.833 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H]2CCCc3c2cnn3-c2ncccn2)cc1 ZINC000568868726 319325961 /nfs/dbraw/zinc/32/59/61/319325961.db2.gz BWBZFFGCFFQBKF-RDTXWAMCSA-N 1 3 348.454 2.849 20 0 EFADHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(Br)c1 ZINC000568873068 319326987 /nfs/dbraw/zinc/32/69/87/319326987.db2.gz JQXUMAZFJATIFB-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964369 319335049 /nfs/dbraw/zinc/33/50/49/319335049.db2.gz LEZIQEQNCRVXBI-QLFBSQMISA-N 1 3 330.476 2.778 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964369 319335051 /nfs/dbraw/zinc/33/50/51/319335051.db2.gz LEZIQEQNCRVXBI-QLFBSQMISA-N 1 3 330.476 2.778 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979361 319336591 /nfs/dbraw/zinc/33/65/91/319336591.db2.gz HFHRPUZKAHLHFS-PNYFIKQUSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979361 319336593 /nfs/dbraw/zinc/33/65/93/319336593.db2.gz HFHRPUZKAHLHFS-PNYFIKQUSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000569101400 319348244 /nfs/dbraw/zinc/34/82/44/319348244.db2.gz OIUOALYYEXJUBH-MRXNPFEDSA-N 1 3 329.488 2.675 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000569214712 319359225 /nfs/dbraw/zinc/35/92/25/319359225.db2.gz ZTBLIYDDJJDPIJ-RRFJBIMHSA-N 1 3 326.868 2.542 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000569214710 319359290 /nfs/dbraw/zinc/35/92/90/319359290.db2.gz ZTBLIYDDJJDPIJ-KFWWJZLASA-N 1 3 326.868 2.542 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)nn1 ZINC000569453887 319381827 /nfs/dbraw/zinc/38/18/27/319381827.db2.gz RPOGZTJMCRXPQV-IBGZPJMESA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)nn1 ZINC000569453887 319381830 /nfs/dbraw/zinc/38/18/30/319381830.db2.gz RPOGZTJMCRXPQV-IBGZPJMESA-N 1 3 348.454 2.636 20 0 EFADHO Cc1c([C@@H](C)NCC2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000569591934 319395658 /nfs/dbraw/zinc/39/56/58/319395658.db2.gz ZBNGPORVUXSZJW-GFCCVEGCSA-N 1 3 333.867 2.879 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)N1CCCCC1 ZINC000569594210 319395818 /nfs/dbraw/zinc/39/58/18/319395818.db2.gz GERJDIRUTIMZPF-IAGOWNOFSA-N 1 3 345.487 2.762 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000571561365 319586227 /nfs/dbraw/zinc/58/62/27/319586227.db2.gz WQVBNIURICFAGV-UONOGXRCSA-N 1 3 329.444 2.742 20 0 EFADHO CCOCC[C@@H](O)CNCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000573675996 319787733 /nfs/dbraw/zinc/78/77/33/319787733.db2.gz FXIZGMXYHAMCKZ-HXUWFJFHSA-N 1 3 334.504 2.796 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000574170094 319837342 /nfs/dbraw/zinc/83/73/42/319837342.db2.gz KGUYJLPIMRQNAQ-RBSFLKMASA-N 1 3 338.293 2.887 20 0 EFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000574915471 319907670 /nfs/dbraw/zinc/90/76/70/319907670.db2.gz ZWQXDCZWKSQEBI-INIZCTEOSA-N 1 3 348.491 2.540 20 0 EFADHO COc1cc(C)c(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000576251379 319998946 /nfs/dbraw/zinc/99/89/46/319998946.db2.gz PNIFEMBQNNGBQA-YLJYHZDGSA-N 1 3 348.487 2.731 20 0 EFADHO C[N@H+](CCCNC(=O)C[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000576277810 320000822 /nfs/dbraw/zinc/00/08/22/320000822.db2.gz VUNXDCZKHFAWBW-SFHVURJKSA-N 1 3 331.504 2.717 20 0 EFADHO C[N@@H+](CCCNC(=O)C[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000576277810 320000824 /nfs/dbraw/zinc/00/08/24/320000824.db2.gz VUNXDCZKHFAWBW-SFHVURJKSA-N 1 3 331.504 2.717 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C)cc1Cl ZINC000576740963 320044262 /nfs/dbraw/zinc/04/42/62/320044262.db2.gz KFYDLQKWUIWQJD-CQSZACIVSA-N 1 3 341.883 2.533 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(C)cc1 ZINC000576861200 320055018 /nfs/dbraw/zinc/05/50/18/320055018.db2.gz HUFIRQLUHRIRFW-DZOHQFGASA-N 1 3 339.487 2.923 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cc(O)ccc1Br ZINC000577162340 320082677 /nfs/dbraw/zinc/08/26/77/320082677.db2.gz ZOPRYHBACNZNPB-BTOWRCTQSA-N 1 3 325.250 2.760 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000577184323 320085768 /nfs/dbraw/zinc/08/57/68/320085768.db2.gz ODBXSNXGLYOHOU-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO O=C1CCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000577184323 320085770 /nfs/dbraw/zinc/08/57/70/320085770.db2.gz ODBXSNXGLYOHOU-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO [NH3+]C[C@H]1OCC[C@H]1c1nc(-c2cccc(CN3CCCCC3)c2)no1 ZINC000577267530 320094227 /nfs/dbraw/zinc/09/42/27/320094227.db2.gz BBJGNZFKZNZTQL-IAGOWNOFSA-N 1 3 342.443 2.554 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577525404 320119424 /nfs/dbraw/zinc/11/94/24/320119424.db2.gz JFLHWVCNVHURSL-MRXNPFEDSA-N 1 3 348.466 2.713 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N)CC3 ZINC000577620227 320128197 /nfs/dbraw/zinc/12/81/97/320128197.db2.gz USOTWQQJGJAWGS-AADOQKPJSA-N 1 3 327.472 2.676 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000577688240 320132938 /nfs/dbraw/zinc/13/29/38/320132938.db2.gz JSGKFYRZTAYPNH-JENIJYKNSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000577688240 320132939 /nfs/dbraw/zinc/13/29/39/320132939.db2.gz JSGKFYRZTAYPNH-JENIJYKNSA-N 1 3 346.519 2.677 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578122172 320175282 /nfs/dbraw/zinc/17/52/82/320175282.db2.gz YDEKZTVJFRDRBY-JTDSTZFVSA-N 1 3 344.503 2.652 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000578121786 320175580 /nfs/dbraw/zinc/17/55/80/320175580.db2.gz OISAXNMXGUOITB-RWQQGDIJSA-N 1 3 344.503 2.639 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000578224260 320185880 /nfs/dbraw/zinc/18/58/80/320185880.db2.gz DESYSSQANIWQMP-VXGBXAGGSA-N 1 3 331.382 2.868 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(CC)CC ZINC000181467490 323235868 /nfs/dbraw/zinc/23/58/68/323235868.db2.gz CYYJPVFEDHLELY-ZWKOTPCHSA-N 1 3 325.541 2.586 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000181493183 323236585 /nfs/dbraw/zinc/23/65/85/323236585.db2.gz VBGHJJCXOHTRKU-RBUKOAKNSA-N 1 3 339.568 2.833 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(CC)CC ZINC000181704729 323245375 /nfs/dbraw/zinc/24/53/75/323245375.db2.gz ZFXCDTSAVDOLFK-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183086408 323315892 /nfs/dbraw/zinc/31/58/92/323315892.db2.gz BBKKHOSQUPRKPW-ROUUACIJSA-N 1 3 344.565 2.690 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000296563973 323557383 /nfs/dbraw/zinc/55/73/83/323557383.db2.gz VKNHJVQLFREBOW-INIZCTEOSA-N 1 3 344.503 2.545 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000392703560 323788587 /nfs/dbraw/zinc/78/85/87/323788587.db2.gz GZBSKIITRWRSKN-OTWHNJEPSA-N 1 3 329.488 2.847 20 0 EFADHO CCc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000579687211 324011446 /nfs/dbraw/zinc/01/14/46/324011446.db2.gz FSADMJKUWKNTBH-IPMKNSEASA-N 1 3 343.519 2.518 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)CC(C)C ZINC000579833790 324041426 /nfs/dbraw/zinc/04/14/26/324041426.db2.gz HUPFQSRDXVALLH-PKOBYXMFSA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(CC3Cc4ccccc4C3)CC2)CC1 ZINC000580682264 324210848 /nfs/dbraw/zinc/21/08/48/324210848.db2.gz CSOHGOPBUJHNND-UHFFFAOYSA-N 1 3 341.543 2.892 20 0 EFADHO Cc1ccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000580827855 324244626 /nfs/dbraw/zinc/24/46/26/324244626.db2.gz WHMCXEDYOVJLAF-XJKSGUPXSA-N 1 3 333.867 2.836 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(C)cc(C)n3)CC2)CC1 ZINC000581020008 324288737 /nfs/dbraw/zinc/28/87/37/324288737.db2.gz FCYHDVRECKUBOR-UHFFFAOYSA-N 1 3 344.503 2.833 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000581062583 324297217 /nfs/dbraw/zinc/29/72/17/324297217.db2.gz IVHLKFKZNDEBPN-UXHICEINSA-N 1 3 345.531 2.850 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000581062579 324297322 /nfs/dbraw/zinc/29/73/22/324297322.db2.gz IVHLKFKZNDEBPN-PMACEKPBSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000581066527 324297939 /nfs/dbraw/zinc/29/79/39/324297939.db2.gz NYFGYIAVLSDAGG-HXUWFJFHSA-N 1 3 342.483 2.895 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109117 324305480 /nfs/dbraw/zinc/30/54/80/324305480.db2.gz RZSNLXFHYVZJEQ-HOTGVXAUSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000581109117 324305482 /nfs/dbraw/zinc/30/54/82/324305482.db2.gz RZSNLXFHYVZJEQ-HOTGVXAUSA-N 1 3 345.487 2.723 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)COc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000581127261 324310511 /nfs/dbraw/zinc/31/05/11/324310511.db2.gz USSDEPBXIRKENV-JXFKEZNVSA-N 1 3 340.467 2.820 20 0 EFADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000581185167 324322534 /nfs/dbraw/zinc/32/25/34/324322534.db2.gz DKNVTMUZGMIECR-MJIXASBWSA-N 1 3 339.487 2.827 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCCc3cncn3C)CC2)C[C@H](C)O1 ZINC000581258298 324339356 /nfs/dbraw/zinc/33/93/56/324339356.db2.gz ABKJIWIMBBDAQX-ROUUACIJSA-N 1 3 348.535 2.564 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000581364668 324360925 /nfs/dbraw/zinc/36/09/25/324360925.db2.gz BSPCCYRSELYDAB-HNNXBMFYSA-N 1 3 330.476 2.792 20 0 EFADHO C[C@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000581437006 324377974 /nfs/dbraw/zinc/37/79/74/324377974.db2.gz UFEBRZKRLFERAK-WCQYABFASA-N 1 3 340.265 2.589 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000581498508 324393664 /nfs/dbraw/zinc/39/36/64/324393664.db2.gz ARZYTIJSENQRPA-RYQLBKOJSA-N 1 3 348.510 2.888 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](N)Cc1ccccc1 ZINC000582180122 324538278 /nfs/dbraw/zinc/53/82/78/324538278.db2.gz WZGMLMDIOLZEKQ-ZCNNSNEGSA-N 1 3 345.531 2.963 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)CC1 ZINC000582238614 324550269 /nfs/dbraw/zinc/55/02/69/324550269.db2.gz LEVPFOQIOOHZEA-LJQANCHMSA-N 1 3 331.504 2.575 20 0 EFADHO Cc1ccc(NC(=O)CCNCc2cccc(C[NH+](C)C)c2)nc1 ZINC000583435613 324811412 /nfs/dbraw/zinc/81/14/12/324811412.db2.gz QEVQPILTALRHTC-UHFFFAOYSA-N 1 3 326.444 2.570 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000583509921 324825821 /nfs/dbraw/zinc/82/58/21/324825821.db2.gz BAMXALOGBIWKOQ-ZNMIVQPWSA-N 1 3 346.393 2.596 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccsc1 ZINC000101980831 472559280 /nfs/dbraw/zinc/55/92/80/472559280.db2.gz MMZFDAHQOPJMMT-INIZCTEOSA-N 1 3 340.537 2.770 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000101980831 472559286 /nfs/dbraw/zinc/55/92/86/472559286.db2.gz MMZFDAHQOPJMMT-INIZCTEOSA-N 1 3 340.537 2.770 20 0 EFADHO C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090178088 472606663 /nfs/dbraw/zinc/60/66/63/472606663.db2.gz COIWBEVLOPLZLZ-WBVHZDCISA-N 1 3 347.503 2.677 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000137749874 473211754 /nfs/dbraw/zinc/21/17/54/473211754.db2.gz GHETUHOHOXJLQQ-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000137749874 473211758 /nfs/dbraw/zinc/21/17/58/473211758.db2.gz GHETUHOHOXJLQQ-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000124237732 473222862 /nfs/dbraw/zinc/22/28/62/473222862.db2.gz NELCWBMEKUOVSL-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000124237732 473222866 /nfs/dbraw/zinc/22/28/66/473222866.db2.gz NELCWBMEKUOVSL-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000095967924 473233906 /nfs/dbraw/zinc/23/39/06/473233906.db2.gz IRSYYJLKFBSXPQ-IRXDYDNUSA-N 1 3 325.566 2.668 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000161618786 473248196 /nfs/dbraw/zinc/24/81/96/473248196.db2.gz KZJSHBISBBZEFI-GOSISDBHSA-N 1 3 336.524 2.522 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161639461 473249777 /nfs/dbraw/zinc/24/97/77/473249777.db2.gz YJENNDPKUFXZLV-UHFFFAOYSA-N 1 3 345.531 2.907 20 0 EFADHO C[N@H+](CCCNC(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000171038762 473259317 /nfs/dbraw/zinc/25/93/17/473259317.db2.gz VPQSOOUJHIMTPF-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCCNC(=O)N1CC[C@@H](N2CCCC2)C1)C1CCCCC1 ZINC000171038762 473259324 /nfs/dbraw/zinc/25/93/24/473259324.db2.gz VPQSOOUJHIMTPF-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000161768940 473261589 /nfs/dbraw/zinc/26/15/89/473261589.db2.gz FABHCHWRMUXQTQ-INIZCTEOSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915556 473266065 /nfs/dbraw/zinc/26/60/65/473266065.db2.gz BUHKJBNYOFOUMD-RLLQIKCJSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176915556 473266073 /nfs/dbraw/zinc/26/60/73/473266073.db2.gz BUHKJBNYOFOUMD-RLLQIKCJSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000124590994 473270929 /nfs/dbraw/zinc/27/09/29/473270929.db2.gz CIXURAWDFUSUSN-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1C[C@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@@H+]1C ZINC000532205194 468102577 /nfs/dbraw/zinc/10/25/77/468102577.db2.gz YULWCTCFEFLNAG-NVXWUHKLSA-N 1 3 325.460 2.628 20 0 EFADHO C[C@@H]1C[C@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@H+]1C ZINC000532205194 468102580 /nfs/dbraw/zinc/10/25/80/468102580.db2.gz YULWCTCFEFLNAG-NVXWUHKLSA-N 1 3 325.460 2.628 20 0 EFADHO c1cc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n[nH]1 ZINC000176984509 473281511 /nfs/dbraw/zinc/28/15/11/473281511.db2.gz APYKHHXILAFATD-UHFFFAOYSA-N 1 3 328.460 2.571 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161971993 473287325 /nfs/dbraw/zinc/28/73/25/473287325.db2.gz VVCJTMASKJMQGQ-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000177052152 473294672 /nfs/dbraw/zinc/29/46/72/473294672.db2.gz DESJWILAGPNSNQ-INIZCTEOSA-N 1 3 340.895 2.886 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000177052152 473294681 /nfs/dbraw/zinc/29/46/81/473294681.db2.gz DESJWILAGPNSNQ-INIZCTEOSA-N 1 3 340.895 2.886 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 ZINC000177107160 473308298 /nfs/dbraw/zinc/30/82/98/473308298.db2.gz SGFVFSKVDVLRBS-QZTJIDSGSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178002838 473458428 /nfs/dbraw/zinc/45/84/28/473458428.db2.gz RKCLHHQMXNFRMA-LVQVYYBASA-N 1 3 325.497 2.704 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000162439056 473339880 /nfs/dbraw/zinc/33/98/80/473339880.db2.gz QVVAPXAUUNKGLH-HNNXBMFYSA-N 1 3 339.505 2.585 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000083522120 473344809 /nfs/dbraw/zinc/34/48/09/473344809.db2.gz XMOIFMIRFNWIKF-JKSUJKDBSA-N 1 3 325.497 2.848 20 0 EFADHO CN(C)CCOc1cccc(-c2ccc(NCC[NH+](C)C)nc2)c1 ZINC000629701780 469610194 /nfs/dbraw/zinc/61/01/94/469610194.db2.gz ZYPXNXQPXZONKN-UHFFFAOYSA-N 1 3 328.460 2.663 20 0 EFADHO CCN1CC[NH+]([C@H]2CCN(c3ccnc4cc(F)ccc43)C2)CC1 ZINC000113247634 473374197 /nfs/dbraw/zinc/37/41/97/473374197.db2.gz PJOYOKHEDIHACG-INIZCTEOSA-N 1 3 328.435 2.590 20 0 EFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000185262084 473380548 /nfs/dbraw/zinc/38/05/48/473380548.db2.gz XPPYVBDDBBUANE-XUVXKRRUSA-N 1 3 346.515 2.935 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C2CC[NH+](CC)CC2)CC1 ZINC000125263300 473385249 /nfs/dbraw/zinc/38/52/49/473385249.db2.gz QLCLORUXLCEZMV-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000150964549 473388173 /nfs/dbraw/zinc/38/81/73/473388173.db2.gz IDXCKLXFMRFQOB-SFHVURJKSA-N 1 3 347.503 2.525 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O)C1CCN(C)CC1 ZINC000150979001 473390602 /nfs/dbraw/zinc/39/06/02/473390602.db2.gz SRHOJJIENAJGQB-NQIIRXRSSA-N 1 3 345.531 2.858 20 0 EFADHO COc1ccc([C@H](CCO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297691011 475857045 /nfs/dbraw/zinc/85/70/45/475857045.db2.gz PUCLAUWUCJKQAC-FQEVSTJZSA-N 1 3 341.455 2.772 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422798885 476781460 /nfs/dbraw/zinc/78/14/60/476781460.db2.gz TYIFKLAHDFETDF-XUJVJEKNSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1ccc(Br)cc1 ZINC000422798885 476781462 /nfs/dbraw/zinc/78/14/62/476781462.db2.gz TYIFKLAHDFETDF-XUJVJEKNSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CN ZINC000430556177 476858170 /nfs/dbraw/zinc/85/81/70/476858170.db2.gz KAWVJNABQHKZQC-SWLSCSKDSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CN ZINC000430556177 476858176 /nfs/dbraw/zinc/85/81/76/476858176.db2.gz KAWVJNABQHKZQC-SWLSCSKDSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H](C[NH3+])NC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000416958848 477387934 /nfs/dbraw/zinc/38/79/34/477387934.db2.gz MGALXWQCDRLASV-HNNXBMFYSA-N 1 3 340.471 2.562 20 0 EFADHO C[C@@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425587 479898663 /nfs/dbraw/zinc/89/86/63/479898663.db2.gz PRHWOVZRFBBYHZ-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](CNC[C@H]1CCCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425587 479898668 /nfs/dbraw/zinc/89/86/68/479898668.db2.gz PRHWOVZRFBBYHZ-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](CNC[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425587 479898674 /nfs/dbraw/zinc/89/86/74/479898674.db2.gz PRHWOVZRFBBYHZ-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](C[NH2+]C[C@H]1CCCCN(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425586 479899153 /nfs/dbraw/zinc/89/91/53/479899153.db2.gz PRHWOVZRFBBYHZ-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](CNC[C@H]1CCCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425586 479899158 /nfs/dbraw/zinc/89/91/58/479899158.db2.gz PRHWOVZRFBBYHZ-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](CNC[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000628425586 479899160 /nfs/dbraw/zinc/89/91/60/479899160.db2.gz PRHWOVZRFBBYHZ-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000628454762 479904282 /nfs/dbraw/zinc/90/42/82/479904282.db2.gz UEQJZCTWVWMVDG-IEBWSBKVSA-N 1 3 332.492 2.758 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893749 479907833 /nfs/dbraw/zinc/90/78/33/479907833.db2.gz KMONUBFJAKMECO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893749 479907841 /nfs/dbraw/zinc/90/78/41/479907841.db2.gz KMONUBFJAKMECO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000619894050 479909056 /nfs/dbraw/zinc/90/90/56/479909056.db2.gz AXJACCOPXNXIIL-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608169099 479952751 /nfs/dbraw/zinc/95/27/51/479952751.db2.gz QXUQOZAJPRPPFI-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608169099 479952755 /nfs/dbraw/zinc/95/27/55/479952755.db2.gz QXUQOZAJPRPPFI-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000067574547 472053052 /nfs/dbraw/zinc/05/30/52/472053052.db2.gz PBEHQLJTXGQQLN-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000067574547 472053054 /nfs/dbraw/zinc/05/30/54/472053054.db2.gz PBEHQLJTXGQQLN-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000067705548 472076141 /nfs/dbraw/zinc/07/61/41/472076141.db2.gz RZVSPMZJBWYGQK-SFHVURJKSA-N 1 3 334.508 2.629 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054718615 472111041 /nfs/dbraw/zinc/11/10/41/472111041.db2.gz GBTSIFBQAQBBAY-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054718612 472111119 /nfs/dbraw/zinc/11/11/19/472111119.db2.gz GBTSIFBQAQBBAY-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000085360586 472238440 /nfs/dbraw/zinc/23/84/40/472238440.db2.gz OUQJMLSJHTWYRH-AEFFLSMTSA-N 1 3 348.535 2.873 20 0 EFADHO C[C@H](NC(=O)NCc1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000085358556 472238804 /nfs/dbraw/zinc/23/88/04/472238804.db2.gz OGKQHYZNWLORSO-HNNXBMFYSA-N 1 3 334.508 2.524 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000085390792 472241538 /nfs/dbraw/zinc/24/15/38/472241538.db2.gz IWFGWFNPMRACHW-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000085390792 472241541 /nfs/dbraw/zinc/24/15/41/472241541.db2.gz IWFGWFNPMRACHW-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000076076241 472261808 /nfs/dbraw/zinc/26/18/08/472261808.db2.gz XFTLHIXNXAYDHX-IEBWSBKVSA-N 1 3 338.540 2.623 20 0 EFADHO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110051 472273555 /nfs/dbraw/zinc/27/35/55/472273555.db2.gz GKGROEKAYDLWEO-LJQANCHMSA-N 1 3 337.467 2.739 20 0 EFADHO C[N@H+](Cc1ccc(C(N)=O)cc1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110051 472273561 /nfs/dbraw/zinc/27/35/61/472273561.db2.gz GKGROEKAYDLWEO-LJQANCHMSA-N 1 3 337.467 2.739 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000076204890 472299004 /nfs/dbraw/zinc/29/90/04/472299004.db2.gz YFGDIHLJIKCBOC-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000076204890 472299008 /nfs/dbraw/zinc/29/90/08/472299008.db2.gz YFGDIHLJIKCBOC-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056523905 472332091 /nfs/dbraw/zinc/33/20/91/472332091.db2.gz NXHQYMVECWMQHR-ROUUACIJSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523927 472332437 /nfs/dbraw/zinc/33/24/37/472332437.db2.gz DFXWDUSRCJWSMR-KRWDZBQOSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076455871 472349514 /nfs/dbraw/zinc/34/95/14/472349514.db2.gz FEHHTGVOCLYSKG-QGZVFWFLSA-N 1 3 329.488 2.773 20 0 EFADHO C[C@H]1C[C@H](NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000128134750 472406522 /nfs/dbraw/zinc/40/65/22/472406522.db2.gz IIIVOAVBJUYGRM-GXTWGEPZSA-N 1 3 327.266 2.900 20 0 EFADHO C[C@H]1C[C@H](NCCOc2ccc(Br)cc2)CC[N@H+]1C ZINC000128134750 472406531 /nfs/dbraw/zinc/40/65/31/472406531.db2.gz IIIVOAVBJUYGRM-GXTWGEPZSA-N 1 3 327.266 2.900 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000088348703 472357931 /nfs/dbraw/zinc/35/79/31/472357931.db2.gz SBXOWSQXENNBKF-KRWDZBQOSA-N 1 3 347.503 2.824 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000088348703 472357936 /nfs/dbraw/zinc/35/79/36/472357936.db2.gz SBXOWSQXENNBKF-KRWDZBQOSA-N 1 3 347.503 2.824 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000154163540 472395902 /nfs/dbraw/zinc/39/59/02/472395902.db2.gz DTZHAISXYQXLKS-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000154163540 472395908 /nfs/dbraw/zinc/39/59/08/472395908.db2.gz DTZHAISXYQXLKS-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128155986 472409270 /nfs/dbraw/zinc/40/92/70/472409270.db2.gz JJYJAAGDYGMHPM-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cc(C)c([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000128206013 472418246 /nfs/dbraw/zinc/41/82/46/472418246.db2.gz WUVPXGLZMYZNLP-ROUUACIJSA-N 1 3 331.504 2.850 20 0 EFADHO Cc1cc(C)c([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000128206013 472418252 /nfs/dbraw/zinc/41/82/52/472418252.db2.gz WUVPXGLZMYZNLP-ROUUACIJSA-N 1 3 331.504 2.850 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000154336995 472419180 /nfs/dbraw/zinc/41/91/80/472419180.db2.gz AQRAPKOONDIXMC-KRWDZBQOSA-N 1 3 337.508 2.980 20 0 EFADHO Cc1cc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)ccc1F ZINC000076893921 472420693 /nfs/dbraw/zinc/42/06/93/472420693.db2.gz QIMAHIRNQAVNRV-UHFFFAOYSA-N 1 3 343.446 2.715 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)CCO2 ZINC000128310845 472434087 /nfs/dbraw/zinc/43/40/87/472434087.db2.gz BBQCNXVQNLPVPM-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000128316980 472435651 /nfs/dbraw/zinc/43/56/51/472435651.db2.gz UGLDOPYMOZAAQM-GOSISDBHSA-N 1 3 347.503 2.526 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555892 472458764 /nfs/dbraw/zinc/45/87/64/472458764.db2.gz RTJZPWPLACTYIF-DOMZBBRYSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555892 472458772 /nfs/dbraw/zinc/45/87/72/472458772.db2.gz RTJZPWPLACTYIF-DOMZBBRYSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000128491103 472459257 /nfs/dbraw/zinc/45/92/57/472459257.db2.gz XLTUEQSROMWWJA-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000089614842 472468550 /nfs/dbraw/zinc/46/85/50/472468550.db2.gz WPBFRNKUBSLZFH-HNNXBMFYSA-N 1 3 325.497 2.802 20 0 EFADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000089614842 472468556 /nfs/dbraw/zinc/46/85/56/472468556.db2.gz WPBFRNKUBSLZFH-HNNXBMFYSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000097361375 472492213 /nfs/dbraw/zinc/49/22/13/472492213.db2.gz VLZONBWFQCMKEQ-KURKYZTESA-N 1 3 338.540 2.528 20 0 EFADHO NC(=O)[C@H](NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000057932883 472493779 /nfs/dbraw/zinc/49/37/79/472493779.db2.gz HGYRWDNZTCBURP-GOSISDBHSA-N 1 3 343.496 2.776 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000058061003 472501467 /nfs/dbraw/zinc/50/14/67/472501467.db2.gz BXEAVWZQUGQHAR-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000058274236 472531826 /nfs/dbraw/zinc/53/18/26/472531826.db2.gz LUBBSEONPQCSNO-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000058274236 472531831 /nfs/dbraw/zinc/53/18/31/472531831.db2.gz LUBBSEONPQCSNO-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO C[NH+](C)CCC1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000089886770 472534918 /nfs/dbraw/zinc/53/49/18/472534918.db2.gz YIHWGEZYWXXCAE-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCC(C)CC2)cc1 ZINC000077497914 472539845 /nfs/dbraw/zinc/53/98/45/472539845.db2.gz DCWDDLYDOZLQDR-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)N2CCCC2)cc1 ZINC000102011133 472562066 /nfs/dbraw/zinc/56/20/66/472562066.db2.gz ONSKEMKPTWITPH-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)N2CCCC2)cc1 ZINC000102011133 472562068 /nfs/dbraw/zinc/56/20/68/472562068.db2.gz ONSKEMKPTWITPH-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1C ZINC000129772139 472563511 /nfs/dbraw/zinc/56/35/11/472563511.db2.gz PRSSXDPARCLKDQ-GJYPPUQNSA-N 1 3 331.504 2.892 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000155556343 472569340 /nfs/dbraw/zinc/56/93/40/472569340.db2.gz QBEPRSXIEXSOKS-PBHICJAKSA-N 1 3 337.508 2.978 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC[NH+](C)C ZINC000077638327 472571597 /nfs/dbraw/zinc/57/15/97/472571597.db2.gz WKELBRMMBGDXIU-SFHVURJKSA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000155574153 472572092 /nfs/dbraw/zinc/57/20/92/472572092.db2.gz RZPAFYXDDJZYNA-VQIMIIECSA-N 1 3 347.503 2.525 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCCN2CCCC[C@H]2CC)CC1 ZINC000077644773 472573747 /nfs/dbraw/zinc/57/37/47/472573747.db2.gz KBLFGYWIHDRKOB-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119742383 472579576 /nfs/dbraw/zinc/57/95/76/472579576.db2.gz RFOKSDAFMDIUMJ-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000155633538 472585001 /nfs/dbraw/zinc/58/50/01/472585001.db2.gz NGBVHJRLVZFICN-CABCVRRESA-N 1 3 341.446 2.965 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000155702887 472598731 /nfs/dbraw/zinc/59/87/31/472598731.db2.gz HPGVSAGXKLIMQR-LSDHHAIUSA-N 1 3 332.517 2.973 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130362919 472600756 /nfs/dbraw/zinc/60/07/56/472600756.db2.gz JBYIWXCNHFVSMD-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130362919 472600767 /nfs/dbraw/zinc/60/07/67/472600767.db2.gz JBYIWXCNHFVSMD-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130367171 472600932 /nfs/dbraw/zinc/60/09/32/472600932.db2.gz TVCFNMFBXQCLSJ-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130367171 472600938 /nfs/dbraw/zinc/60/09/38/472600938.db2.gz TVCFNMFBXQCLSJ-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155728903 472604805 /nfs/dbraw/zinc/60/48/05/472604805.db2.gz RFRZNQXWYDBRMQ-RWQQGDIJSA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155728903 472604811 /nfs/dbraw/zinc/60/48/11/472604811.db2.gz RFRZNQXWYDBRMQ-RWQQGDIJSA-N 1 3 331.504 2.871 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000077775928 472609354 /nfs/dbraw/zinc/60/93/54/472609354.db2.gz KAYVZZLIFDZPPI-GOSISDBHSA-N 1 3 348.535 2.909 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000071911664 472616397 /nfs/dbraw/zinc/61/63/97/472616397.db2.gz QYEOKCBFIXGANK-OAHLLOKOSA-N 1 3 343.471 2.955 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000071911664 472616401 /nfs/dbraw/zinc/61/64/01/472616401.db2.gz QYEOKCBFIXGANK-OAHLLOKOSA-N 1 3 343.471 2.955 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155792957 472617417 /nfs/dbraw/zinc/61/74/17/472617417.db2.gz YDJOOYLUUWEAEY-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1C ZINC000071920125 472620902 /nfs/dbraw/zinc/62/09/02/472620902.db2.gz FHNHRMVOWYHPOY-KRWDZBQOSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1C ZINC000071920125 472620906 /nfs/dbraw/zinc/62/09/06/472620906.db2.gz FHNHRMVOWYHPOY-KRWDZBQOSA-N 1 3 332.492 2.875 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000072020120 472628255 /nfs/dbraw/zinc/62/82/55/472628255.db2.gz DALHUEPIOFWIMD-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)(C)OC(=O)NC[C@](C)(NCCC[NH+]1CCCC1)C1CC1 ZINC000120140203 472637263 /nfs/dbraw/zinc/63/72/63/472637263.db2.gz DVFWQZXDXMEJBA-SFHVURJKSA-N 1 3 325.497 2.755 20 0 EFADHO Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1Cl ZINC000120223188 472653132 /nfs/dbraw/zinc/65/31/32/472653132.db2.gz SOJMDZACLFAQGQ-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCN1CCCC1 ZINC000120385191 472680347 /nfs/dbraw/zinc/68/03/47/472680347.db2.gz HBFMVJDKEKDFIV-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCN1CCCC1 ZINC000120385191 472680351 /nfs/dbraw/zinc/68/03/51/472680351.db2.gz HBFMVJDKEKDFIV-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000061185597 472692947 /nfs/dbraw/zinc/69/29/47/472692947.db2.gz TZRAWDYIJGUZPJ-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329881 472692953 /nfs/dbraw/zinc/69/29/53/472692953.db2.gz URQNZMKBPFDUQZ-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329881 472692959 /nfs/dbraw/zinc/69/29/59/472692959.db2.gz URQNZMKBPFDUQZ-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329881 472692967 /nfs/dbraw/zinc/69/29/67/472692967.db2.gz URQNZMKBPFDUQZ-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000105068694 472718465 /nfs/dbraw/zinc/71/84/65/472718465.db2.gz WMNCJVMHVYWGEP-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000105075383 472718855 /nfs/dbraw/zinc/71/88/55/472718855.db2.gz HEEPBVAFZQBVAX-RTBURBONSA-N 1 3 346.519 2.709 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105093890 472720943 /nfs/dbraw/zinc/72/09/43/472720943.db2.gz MVVACGSNSMFLLF-INIZCTEOSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H](N(C)C)C2)cc1 ZINC000105093583 472721907 /nfs/dbraw/zinc/72/19/07/472721907.db2.gz HKCBYZGTZWRPMY-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000105090012 472722036 /nfs/dbraw/zinc/72/20/36/472722036.db2.gz KFZUJGWJYVDOIT-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000105090012 472722040 /nfs/dbraw/zinc/72/20/40/472722040.db2.gz KFZUJGWJYVDOIT-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062253011 472732158 /nfs/dbraw/zinc/73/21/58/472732158.db2.gz SZEXIISQWYZSGH-HOTGVXAUSA-N 1 3 333.476 2.624 20 0 EFADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)N1CCc2ccccc2C1 ZINC000072884101 472733352 /nfs/dbraw/zinc/73/33/52/472733352.db2.gz NTWIQRRWCDXQOY-FQEVSTJZSA-N 1 3 343.515 2.527 20 0 EFADHO COc1ccc([C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)cc1 ZINC000091285111 472751610 /nfs/dbraw/zinc/75/16/10/472751610.db2.gz LWRMLCGKQPNJHW-HXUWFJFHSA-N 1 3 331.504 2.764 20 0 EFADHO COc1ccccc1[C@H]([NH2+]C[C@H](O)CN1CCCC1)C1CCCC1 ZINC000091306266 472753669 /nfs/dbraw/zinc/75/36/69/472753669.db2.gz ZJHXOJRYNCNAOC-FXAWDEMLSA-N 1 3 332.488 2.973 20 0 EFADHO COc1ccccc1[C@@H]([NH2+]C[C@H](O)CN1CCCC1)C1CCCC1 ZINC000091306267 472754128 /nfs/dbraw/zinc/75/41/28/472754128.db2.gz ZJHXOJRYNCNAOC-PXNSSMCTSA-N 1 3 332.488 2.973 20 0 EFADHO NC(=O)[C@@H]1CCCN(Cc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)C1 ZINC000156900143 472765393 /nfs/dbraw/zinc/76/53/93/472765393.db2.gz IPVNBKNCVBPBPZ-LJQANCHMSA-N 1 3 341.499 2.662 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000133150636 472777401 /nfs/dbraw/zinc/77/74/01/472777401.db2.gz UTXMXLOHKBJNJI-HUUCEWRRSA-N 1 3 332.444 2.567 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2c(OC)cc(OC)cc2OC)[C@H](C)C1 ZINC000157087476 472783277 /nfs/dbraw/zinc/78/32/77/472783277.db2.gz KDXWCLHDUYXIJL-RHSMWYFYSA-N 1 3 336.476 2.575 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2c(OC)cc(OC)cc2OC)[C@H](C)C1 ZINC000157087476 472783282 /nfs/dbraw/zinc/78/32/82/472783282.db2.gz KDXWCLHDUYXIJL-RHSMWYFYSA-N 1 3 336.476 2.575 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157081913 472783964 /nfs/dbraw/zinc/78/39/64/472783964.db2.gz OYBFPUJSHYBGSZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157081913 472783970 /nfs/dbraw/zinc/78/39/70/472783970.db2.gz OYBFPUJSHYBGSZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000047977563 472791172 /nfs/dbraw/zinc/79/11/72/472791172.db2.gz PITKIBRUBLLABA-GOSISDBHSA-N 1 3 338.467 2.619 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000047977561 472791565 /nfs/dbraw/zinc/79/15/65/472791565.db2.gz PITKIBRUBLLABA-SFHVURJKSA-N 1 3 338.467 2.619 20 0 EFADHO CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000047979292 472793411 /nfs/dbraw/zinc/79/34/11/472793411.db2.gz YIMGSZZOBWFZPU-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO COc1ccc([C@@H](CNC2CC[NH+](C)CC2)N2CCCCC2)cc1 ZINC000121068864 472793968 /nfs/dbraw/zinc/79/39/68/472793968.db2.gz OMDMBSPEEKHAAC-HXUWFJFHSA-N 1 3 331.504 2.906 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000121137901 472804443 /nfs/dbraw/zinc/80/44/43/472804443.db2.gz QCOOMMWVDDUVAF-LSDHHAIUSA-N 1 3 325.447 2.889 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000121137583 472804920 /nfs/dbraw/zinc/80/49/20/472804920.db2.gz QCOOMMWVDDUVAF-GJZGRUSLSA-N 1 3 325.447 2.889 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000048076519 472810992 /nfs/dbraw/zinc/81/09/92/472810992.db2.gz ZWLHNFGLMFECFW-MRXNPFEDSA-N 1 3 332.492 2.992 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCN(C2CC2)CC1 ZINC000079066818 472814918 /nfs/dbraw/zinc/81/49/18/472814918.db2.gz IDABAMBZWPENSE-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121644 472823774 /nfs/dbraw/zinc/82/37/74/472823774.db2.gz XOLHOZQLJFGVFC-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121644 472823779 /nfs/dbraw/zinc/82/37/79/472823779.db2.gz XOLHOZQLJFGVFC-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000073534099 472825827 /nfs/dbraw/zinc/82/58/27/472825827.db2.gz UYQLFLCXYUIPPI-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000073534099 472825832 /nfs/dbraw/zinc/82/58/32/472825832.db2.gz UYQLFLCXYUIPPI-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000073542114 472826921 /nfs/dbraw/zinc/82/69/21/472826921.db2.gz MVSFTSOHBRRLFA-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000073541767 472827058 /nfs/dbraw/zinc/82/70/58/472827058.db2.gz ICBQWBXCIQBJPA-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000121290348 472830641 /nfs/dbraw/zinc/83/06/41/472830641.db2.gz YNXZUKKECMOYOJ-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)NCCN(C)C)CCCC1)c1ccccc1 ZINC000133676823 472831070 /nfs/dbraw/zinc/83/10/70/472831070.db2.gz VJSGFFNEOBVPSH-MRXNPFEDSA-N 1 3 332.492 2.511 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000157645177 472843999 /nfs/dbraw/zinc/84/39/99/472843999.db2.gz ZHEDPGKLTQZFAX-QZTJIDSGSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000133816149 472844309 /nfs/dbraw/zinc/84/43/09/472844309.db2.gz YHGKJTUZCHRCDN-HKUYNNGSSA-N 1 3 346.519 2.566 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000133816149 472844315 /nfs/dbraw/zinc/84/43/15/472844315.db2.gz YHGKJTUZCHRCDN-HKUYNNGSSA-N 1 3 346.519 2.566 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000092165889 472868702 /nfs/dbraw/zinc/86/87/02/472868702.db2.gz AUSPOKIJLYLYQZ-INIZCTEOSA-N 1 3 348.487 2.933 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CC1 ZINC000092165889 472868711 /nfs/dbraw/zinc/86/87/11/472868711.db2.gz AUSPOKIJLYLYQZ-INIZCTEOSA-N 1 3 348.487 2.933 20 0 EFADHO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134182198 472883151 /nfs/dbraw/zinc/88/31/51/472883151.db2.gz USYKDDCHZAVWCK-JXFKEZNVSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@H](C)[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134182198 472883156 /nfs/dbraw/zinc/88/31/56/472883156.db2.gz USYKDDCHZAVWCK-JXFKEZNVSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134181786 472883567 /nfs/dbraw/zinc/88/35/67/472883567.db2.gz USYKDDCHZAVWCK-OXJNMPFZSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@H](C)[C@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134181786 472883570 /nfs/dbraw/zinc/88/35/70/472883570.db2.gz USYKDDCHZAVWCK-OXJNMPFZSA-N 1 3 333.520 2.714 20 0 EFADHO CN(CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000073821084 472884506 /nfs/dbraw/zinc/88/45/06/472884506.db2.gz SJPVIWVMNXFPAS-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CN(CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000073821084 472884508 /nfs/dbraw/zinc/88/45/08/472884508.db2.gz SJPVIWVMNXFPAS-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000073895170 472895152 /nfs/dbraw/zinc/89/51/52/472895152.db2.gz WYEKCYYNMDJWOD-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000073895170 472895153 /nfs/dbraw/zinc/89/51/53/472895153.db2.gz WYEKCYYNMDJWOD-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000092428536 472910934 /nfs/dbraw/zinc/91/09/34/472910934.db2.gz QXPCKCHQNCAPQZ-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000092428536 472910939 /nfs/dbraw/zinc/91/09/39/472910939.db2.gz QXPCKCHQNCAPQZ-IBGZPJMESA-N 1 3 331.504 2.829 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)[C@@H](C)C2CC2)CC1 ZINC000079844118 472929659 /nfs/dbraw/zinc/92/96/59/472929659.db2.gz OWCBBQXTQZXZRJ-KRWDZBQOSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C(C)C)C2CC2)CC1 ZINC000079873523 472935291 /nfs/dbraw/zinc/93/52/91/472935291.db2.gz KJPVIZVCWRHNHT-UHFFFAOYSA-N 1 3 343.515 2.948 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134615624 472939343 /nfs/dbraw/zinc/93/93/43/472939343.db2.gz CJXVVHAMPDEFLC-FPOVZHCZSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC000134615577 472939800 /nfs/dbraw/zinc/93/98/00/472939800.db2.gz CJXVVHAMPDEFLC-CTNGQTDRSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](C)N1CCC(C)CC1)C(C)C ZINC000065480785 472953376 /nfs/dbraw/zinc/95/33/76/472953376.db2.gz BCGACGNKFVQZBU-QGZVFWFLSA-N 1 3 326.529 2.525 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000158673043 472959207 /nfs/dbraw/zinc/95/92/07/472959207.db2.gz BWLGYRCYVVZFNY-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122001356 472961435 /nfs/dbraw/zinc/96/14/35/472961435.db2.gz VYJWAAPDNSZIAE-CVEARBPZSA-N 1 3 325.497 2.896 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122002099 472961490 /nfs/dbraw/zinc/96/14/90/472961490.db2.gz VYJWAAPDNSZIAE-JKSUJKDBSA-N 1 3 325.497 2.896 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1CCN(C)CC1 ZINC000074220863 472966391 /nfs/dbraw/zinc/96/63/91/472966391.db2.gz CDNXGDMGRYLMRY-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CCN(C)CC1 ZINC000074220863 472966393 /nfs/dbraw/zinc/96/63/93/472966393.db2.gz CDNXGDMGRYLMRY-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000092738766 472977301 /nfs/dbraw/zinc/97/73/01/472977301.db2.gz PUMSOVXXKJPNOG-CRAIPNDOSA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000092738766 472977307 /nfs/dbraw/zinc/97/73/07/472977307.db2.gz PUMSOVXXKJPNOG-CRAIPNDOSA-N 1 3 329.488 2.500 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000092739870 472977821 /nfs/dbraw/zinc/97/78/21/472977821.db2.gz KCNNNBMPTWMFRG-IRXDYDNUSA-N 1 3 331.504 2.748 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158954222 472983141 /nfs/dbraw/zinc/98/31/41/472983141.db2.gz NUUAGWZUYRBVRG-LMMKCTJWSA-N 1 3 334.504 2.870 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000122167990 472983368 /nfs/dbraw/zinc/98/33/68/472983368.db2.gz XLQYBDAPTBRCGP-PMPSAXMXSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000122167990 472983371 /nfs/dbraw/zinc/98/33/71/472983371.db2.gz XLQYBDAPTBRCGP-PMPSAXMXSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)COC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158960633 472984457 /nfs/dbraw/zinc/98/44/57/472984457.db2.gz BVIVWAVOMBLJHI-ICSRJNTNSA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)COC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158960633 472984464 /nfs/dbraw/zinc/98/44/64/472984464.db2.gz BVIVWAVOMBLJHI-ICSRJNTNSA-N 1 3 340.552 2.996 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080150760 472985328 /nfs/dbraw/zinc/98/53/28/472985328.db2.gz PECDTLUCMFUFBT-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134920802 472990662 /nfs/dbraw/zinc/99/06/62/472990662.db2.gz HRMMASSKPNITGJ-HMXCVIKNSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134920802 472990667 /nfs/dbraw/zinc/99/06/67/472990667.db2.gz HRMMASSKPNITGJ-HMXCVIKNSA-N 1 3 344.499 2.513 20 0 EFADHO CN(C)CCN(C(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCC1 ZINC000159139209 473001336 /nfs/dbraw/zinc/00/13/36/473001336.db2.gz AZBZDQOAEJMSCY-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C(=O)CCCC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074446960 473009401 /nfs/dbraw/zinc/00/94/01/473009401.db2.gz KEJVHVJAQCMLFU-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Cc3ccccc3Cl)CC2)CC1 ZINC000050801647 473011476 /nfs/dbraw/zinc/01/14/76/473011476.db2.gz FKDCUVAALCAZDA-UHFFFAOYSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000050801386 473011599 /nfs/dbraw/zinc/01/15/99/473011599.db2.gz SDTVSNKCFQANCM-UHFFFAOYSA-N 1 3 335.517 2.653 20 0 EFADHO C[C@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050802558 473011638 /nfs/dbraw/zinc/01/16/38/473011638.db2.gz SUAPLPNWTYYJBH-QGZVFWFLSA-N 1 3 343.515 2.855 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3cccs3)c2)C1 ZINC000108420855 473026315 /nfs/dbraw/zinc/02/63/15/473026315.db2.gz RAGFLSZIYKKMOJ-KRWDZBQOSA-N 1 3 343.496 2.735 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3cccs3)c2)C1 ZINC000108420855 473026321 /nfs/dbraw/zinc/02/63/21/473026321.db2.gz RAGFLSZIYKKMOJ-KRWDZBQOSA-N 1 3 343.496 2.735 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3ccccc3F)CC2)CC1 ZINC000051236047 473033585 /nfs/dbraw/zinc/03/35/85/473033585.db2.gz ZHOCJORAAOUGNB-UHFFFAOYSA-N 1 3 334.439 2.506 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000051236046 473033972 /nfs/dbraw/zinc/03/39/72/473033972.db2.gz XPIDSLBOWVBGSR-UHFFFAOYSA-N 1 3 330.476 2.675 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC000051502118 473053523 /nfs/dbraw/zinc/05/35/23/473053523.db2.gz RWXZDLLLTXYDNQ-UHFFFAOYSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC000051502118 473053528 /nfs/dbraw/zinc/05/35/28/473053528.db2.gz RWXZDLLLTXYDNQ-UHFFFAOYSA-N 1 3 343.515 2.904 20 0 EFADHO CC(C)[C@@H](CNC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000122912261 473072819 /nfs/dbraw/zinc/07/28/19/473072819.db2.gz WPBDHQWAWFXPDF-MRXNPFEDSA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1)N(C)C ZINC000123148622 473102962 /nfs/dbraw/zinc/10/29/62/473102962.db2.gz UNDDMPJSDLTSSE-IBGZPJMESA-N 1 3 346.519 2.742 20 0 EFADHO CC(C)C[C@H](C)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123224247 473114499 /nfs/dbraw/zinc/11/44/99/473114499.db2.gz GFHLFTRISQDLLB-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482794 473115110 /nfs/dbraw/zinc/11/51/10/473115110.db2.gz RJRMQWZGZYWIKK-XLIONFOSSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482794 473115116 /nfs/dbraw/zinc/11/51/16/473115116.db2.gz RJRMQWZGZYWIKK-XLIONFOSSA-N 1 3 345.531 2.952 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000109788030 473123056 /nfs/dbraw/zinc/12/30/56/473123056.db2.gz FEQNWPLDNRKVBN-UHFFFAOYSA-N 1 3 347.459 2.550 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000123360984 473132545 /nfs/dbraw/zinc/13/25/45/473132545.db2.gz FIUKJGPCUGONGL-GOSISDBHSA-N 1 3 341.499 2.958 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000136175640 473141329 /nfs/dbraw/zinc/14/13/29/473141329.db2.gz APNAJEVJJACTFD-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000093770524 473141842 /nfs/dbraw/zinc/14/18/42/473141842.db2.gz AEXHHIGLCMGHIU-IBGZPJMESA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000093770524 473141846 /nfs/dbraw/zinc/14/18/46/473141846.db2.gz AEXHHIGLCMGHIU-IBGZPJMESA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000093770523 473142929 /nfs/dbraw/zinc/14/29/29/473142929.db2.gz AEXHHIGLCMGHIU-LJQANCHMSA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000093770523 473142933 /nfs/dbraw/zinc/14/29/33/473142933.db2.gz AEXHHIGLCMGHIU-LJQANCHMSA-N 1 3 344.547 2.602 20 0 EFADHO Cc1nccn1CCCN(C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000136312787 473150903 /nfs/dbraw/zinc/15/09/03/473150903.db2.gz BPQWJOSIKZJORV-HNNXBMFYSA-N 1 3 346.450 2.872 20 0 EFADHO Cc1nccn1CCCN(C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000136312824 473151222 /nfs/dbraw/zinc/15/12/22/473151222.db2.gz BPQWJOSIKZJORV-OAHLLOKOSA-N 1 3 346.450 2.872 20 0 EFADHO CN(C/C=C/C[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000137033895 473191143 /nfs/dbraw/zinc/19/11/43/473191143.db2.gz JIOVVONWDFPDKG-ONEGZZNKSA-N 1 3 336.530 2.805 20 0 EFADHO CN(C/C=C/C[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000137033895 473191146 /nfs/dbraw/zinc/19/11/46/473191146.db2.gz JIOVVONWDFPDKG-ONEGZZNKSA-N 1 3 336.530 2.805 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150992633 473392764 /nfs/dbraw/zinc/39/27/64/473392764.db2.gz UVWKLPZKIBFXCR-FQEVSTJZSA-N 1 3 331.504 2.688 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)[C@H]3CCOC3)CC2)c1 ZINC000125326164 473394695 /nfs/dbraw/zinc/39/46/95/473394695.db2.gz JEZSJUMQRUWPHM-PMACEKPBSA-N 1 3 345.531 2.912 20 0 EFADHO CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000151047197 473400544 /nfs/dbraw/zinc/40/05/44/473400544.db2.gz JDEJCBOIEYSMOF-MRXNPFEDSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CCN(C)CC1)c1ccccc1 ZINC000113579271 473405572 /nfs/dbraw/zinc/40/55/72/473405572.db2.gz NMZZFAWDQPIPSR-HNNXBMFYSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1nn(C)c(C)c1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151139669 473413818 /nfs/dbraw/zinc/41/38/18/473413818.db2.gz YBGCVHLUPMKOGB-AWEZNQCLSA-N 1 3 330.476 2.828 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178002838 473458425 /nfs/dbraw/zinc/45/84/25/473458425.db2.gz RKCLHHQMXNFRMA-LVQVYYBASA-N 1 3 325.497 2.704 20 0 EFADHO CCN1CC[NH+](CCCCN[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000125875198 473467251 /nfs/dbraw/zinc/46/72/51/473467251.db2.gz JCXSAOVIYIXHOR-IBGZPJMESA-N 1 3 341.503 2.506 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](CC)N2CCCC2)[C@@H](C)C1 ZINC000151674941 473483849 /nfs/dbraw/zinc/48/38/49/473483849.db2.gz ODXZTERVEQVFLZ-OTWHNJEPSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000164566383 473492701 /nfs/dbraw/zinc/49/27/01/473492701.db2.gz MOCZMUHXDRHUDC-LPHOPBHVSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC[C@@H]2CCCO2)cc1 ZINC000164566383 473492706 /nfs/dbraw/zinc/49/27/06/473492706.db2.gz MOCZMUHXDRHUDC-LPHOPBHVSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+](C)C ZINC000151944184 473509350 /nfs/dbraw/zinc/50/93/50/473509350.db2.gz FYGFWNPKHMSCRS-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000165346973 473509711 /nfs/dbraw/zinc/50/97/11/473509711.db2.gz KACJVINSZTXMFD-FXAWDEMLSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000191218379 473510536 /nfs/dbraw/zinc/51/05/36/473510536.db2.gz NSGZKCQTMASLFP-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)N(C)C ZINC000126413552 473514632 /nfs/dbraw/zinc/51/46/32/473514632.db2.gz IUUKXAKOYLTMKY-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)N(C)C ZINC000126413349 473514653 /nfs/dbraw/zinc/51/46/53/473514653.db2.gz IUUKXAKOYLTMKY-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[NH2+]CC2CC2)c2ccccc2)CC1 ZINC000165728796 473514874 /nfs/dbraw/zinc/51/48/74/473514874.db2.gz GCJYYPLBXOXWHK-IBGZPJMESA-N 1 3 329.488 2.575 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000165728544 473515043 /nfs/dbraw/zinc/51/50/43/473515043.db2.gz VNHIZJNVUDYWBV-FQEVSTJZSA-N 1 3 343.515 2.966 20 0 EFADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000126415955 473514922 /nfs/dbraw/zinc/51/49/22/473514922.db2.gz FPINASCHSKQNSL-QFBILLFUSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000126415955 473514927 /nfs/dbraw/zinc/51/49/27/473514927.db2.gz FPINASCHSKQNSL-QFBILLFUSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)N1CCCCC1 ZINC000178464062 473518221 /nfs/dbraw/zinc/51/82/21/473518221.db2.gz QGASZJSOJHWJAP-IAGOWNOFSA-N 1 3 347.503 2.679 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166325254 473523705 /nfs/dbraw/zinc/52/37/05/473523705.db2.gz QLUWHJOAYCCMAD-CEXWTWQISA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166325363 473523943 /nfs/dbraw/zinc/52/39/43/473523943.db2.gz QLUWHJOAYCCMAD-QYZOEREBSA-N 1 3 329.488 2.766 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126583247 473528777 /nfs/dbraw/zinc/52/87/77/473528777.db2.gz NKRJBCLSFLTRGT-UHFFFAOYSA-N 1 3 343.515 2.521 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168507268 473542980 /nfs/dbraw/zinc/54/29/80/473542980.db2.gz MHZPWBDHWBCVEH-JQHSSLGASA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168507268 473542986 /nfs/dbraw/zinc/54/29/86/473542986.db2.gz MHZPWBDHWBCVEH-JQHSSLGASA-N 1 3 349.544 2.578 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168516401 473543200 /nfs/dbraw/zinc/54/32/00/473543200.db2.gz WZVWXJZCHDALDS-NEWSRXKRSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168516401 473543205 /nfs/dbraw/zinc/54/32/05/473543205.db2.gz WZVWXJZCHDALDS-NEWSRXKRSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000168631778 473543527 /nfs/dbraw/zinc/54/35/27/473543527.db2.gz SCYZUKAUVMILIY-QWRGUYRKSA-N 1 3 330.259 2.991 20 0 EFADHO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168938970 473545580 /nfs/dbraw/zinc/54/55/80/473545580.db2.gz OZRHYVSMGHLSNR-MOPGFXCFSA-N 1 3 339.568 2.571 20 0 EFADHO C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000168943842 473545745 /nfs/dbraw/zinc/54/57/45/473545745.db2.gz ZVWDJVUYHUZXTD-GHTZIAJQSA-N 1 3 345.531 2.605 20 0 EFADHO Fc1ccc(CCN2CCC([NH2+]C[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000152418892 473560072 /nfs/dbraw/zinc/56/00/72/473560072.db2.gz FROVHVRKKMZXAP-GOSISDBHSA-N 1 3 345.506 2.907 20 0 EFADHO CC(C)N1CCC[C@@H](N2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000178912309 473589852 /nfs/dbraw/zinc/58/98/52/473589852.db2.gz KDDGDQKTOZDGER-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000170757068 473604908 /nfs/dbraw/zinc/60/49/08/473604908.db2.gz WSKIXOBZYVNRAN-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCCC1 ZINC000153358232 473619987 /nfs/dbraw/zinc/61/99/87/473619987.db2.gz QVMIVTIMHAQDPV-LNLFQRSKSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCCC1 ZINC000153358232 473619991 /nfs/dbraw/zinc/61/99/91/473619991.db2.gz QVMIVTIMHAQDPV-LNLFQRSKSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)[C@@H](C)C1)N1CCCC1 ZINC000153358232 473619995 /nfs/dbraw/zinc/61/99/95/473619995.db2.gz QVMIVTIMHAQDPV-LNLFQRSKSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](c1ccco1)N(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127504089 473620997 /nfs/dbraw/zinc/62/09/97/473620997.db2.gz POOSODSLOGOTEB-OAHLLOKOSA-N 1 3 348.491 2.541 20 0 EFADHO CC[C@@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000170915562 473644026 /nfs/dbraw/zinc/64/40/26/473644026.db2.gz JTVRGWGLARFLBE-QGZVFWFLSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153812943 473644570 /nfs/dbraw/zinc/64/45/70/473644570.db2.gz YORLNSKNQFDNGA-BRWVUGGUSA-N 1 3 325.566 2.666 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000127856660 473657495 /nfs/dbraw/zinc/65/74/95/473657495.db2.gz PDKPLNBGRYXXJN-SFHVURJKSA-N 1 3 334.508 2.524 20 0 EFADHO Cn1cccc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000172627070 473662672 /nfs/dbraw/zinc/66/26/72/473662672.db2.gz JFGHHUFRBYMMOL-UHFFFAOYSA-N 1 3 326.488 2.717 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001180 480053471 /nfs/dbraw/zinc/05/34/71/480053471.db2.gz JYFZZIFYOYNPFM-SJLPKXTDSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001180 480053475 /nfs/dbraw/zinc/05/34/75/480053475.db2.gz JYFZZIFYOYNPFM-SJLPKXTDSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000172717168 473675071 /nfs/dbraw/zinc/67/50/71/473675071.db2.gz NTVHWKUGDOARSS-UHFFFAOYSA-N 1 3 339.483 2.952 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCOC[C@H]3C)CC2)c1 ZINC000192462927 473682641 /nfs/dbraw/zinc/68/26/41/473682641.db2.gz MLHZYNZABLRTKF-TZIWHRDSSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000179398608 473684263 /nfs/dbraw/zinc/68/42/63/473684263.db2.gz WLTICRVVJMIFGM-QGZVFWFLSA-N 1 3 331.504 2.828 20 0 EFADHO C[C@@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000192483931 473685007 /nfs/dbraw/zinc/68/50/07/473685007.db2.gz IKCWBJIGQCIQRU-QUCCMNQESA-N 1 3 331.504 2.603 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000172827679 473689759 /nfs/dbraw/zinc/68/97/59/473689759.db2.gz LTNALSJFHMKCDT-SFHVURJKSA-N 1 3 331.460 2.676 20 0 EFADHO C[NH+](C)C/C=C/C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000269123949 473701666 /nfs/dbraw/zinc/70/16/66/473701666.db2.gz FPYLWQLTRVKORK-VOTSOKGWSA-N 1 3 331.460 2.608 20 0 EFADHO CN(C)C/C=C/C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000269123949 473701671 /nfs/dbraw/zinc/70/16/71/473701671.db2.gz FPYLWQLTRVKORK-VOTSOKGWSA-N 1 3 331.460 2.608 20 0 EFADHO C[C@H](CC(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262671047 473709179 /nfs/dbraw/zinc/70/91/79/473709179.db2.gz NXOGIEKJSKXPIW-YZGWKJHDSA-N 1 3 343.515 2.793 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000192741082 473717047 /nfs/dbraw/zinc/71/70/47/473717047.db2.gz FHAGLJJZIPASTC-NRFANRHFSA-N 1 3 329.532 2.892 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000192741082 473717054 /nfs/dbraw/zinc/71/70/54/473717054.db2.gz FHAGLJJZIPASTC-NRFANRHFSA-N 1 3 329.532 2.892 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000192741069 473717383 /nfs/dbraw/zinc/71/73/83/473717383.db2.gz FHAGLJJZIPASTC-OAQYLSRUSA-N 1 3 329.532 2.892 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000192741069 473717390 /nfs/dbraw/zinc/71/73/90/473717390.db2.gz FHAGLJJZIPASTC-OAQYLSRUSA-N 1 3 329.532 2.892 20 0 EFADHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759742 473720617 /nfs/dbraw/zinc/72/06/17/473720617.db2.gz YBISIZLAGUZFEV-RBUKOAKNSA-N 1 3 337.552 2.682 20 0 EFADHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759742 473720624 /nfs/dbraw/zinc/72/06/24/473720624.db2.gz YBISIZLAGUZFEV-RBUKOAKNSA-N 1 3 337.552 2.682 20 0 EFADHO C[NH+](C)CCOc1ccccc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000269197586 473728405 /nfs/dbraw/zinc/72/84/05/473728405.db2.gz JLVSQGXZGRIQAX-UHFFFAOYSA-N 1 3 339.439 2.525 20 0 EFADHO NC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000269238258 473744036 /nfs/dbraw/zinc/74/40/36/473744036.db2.gz OULFTHQVXYLUHJ-FQEVSTJZSA-N 1 3 337.467 2.641 20 0 EFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000263206568 473744469 /nfs/dbraw/zinc/74/44/69/473744469.db2.gz JVHYRCDVNBTLHO-DTZQCDIJSA-N 1 3 328.378 2.511 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000269242320 473745291 /nfs/dbraw/zinc/74/52/91/473745291.db2.gz BRJWIQPIXZXBBG-WMLDXEAASA-N 1 3 333.476 2.719 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000269242320 473745299 /nfs/dbraw/zinc/74/52/99/473745299.db2.gz BRJWIQPIXZXBBG-WMLDXEAASA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269251230 473750302 /nfs/dbraw/zinc/75/03/02/473750302.db2.gz PDTRONUWXGBOKY-SFHVURJKSA-N 1 3 344.503 2.696 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193003478 473758418 /nfs/dbraw/zinc/75/84/18/473758418.db2.gz BQJHOGLZINYUQW-UHFFFAOYSA-N 1 3 348.516 2.910 20 0 EFADHO [NH3+]CCCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000269273509 473758885 /nfs/dbraw/zinc/75/88/85/473758885.db2.gz URNLSENNJGMBJG-UHFFFAOYSA-N 1 3 339.483 2.934 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000269278742 473760335 /nfs/dbraw/zinc/76/03/35/473760335.db2.gz ZEVABUGJDVYWQR-IBGZPJMESA-N 1 3 332.492 2.593 20 0 EFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]CCCCCS(C)(=O)=O)CC2)C1 ZINC000186855423 473769777 /nfs/dbraw/zinc/76/97/77/473769777.db2.gz RCYNAJVIJGAJAT-WMZOPIPTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCCCCS(C)(=O)=O)CC2)C1 ZINC000186855423 473769782 /nfs/dbraw/zinc/76/97/82/473769782.db2.gz RCYNAJVIJGAJAT-WMZOPIPTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269331827 473776460 /nfs/dbraw/zinc/77/64/60/473776460.db2.gz DPCRUQXMQSPCAB-IMFGXOCKSA-N 1 3 329.488 2.545 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623357435 480248078 /nfs/dbraw/zinc/24/80/78/480248078.db2.gz OPXRMUDMOPUONS-LBPRGKRZSA-N 1 3 335.439 2.883 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)CC(C)C ZINC000246144304 473787538 /nfs/dbraw/zinc/78/75/38/473787538.db2.gz CDOLGGUMCRXHEI-FGTMMUONSA-N 1 3 340.556 2.725 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000633942883 480065225 /nfs/dbraw/zinc/06/52/25/480065225.db2.gz SNZRWWKVQQVOHA-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC(C)(C)C ZINC000180161094 473815876 /nfs/dbraw/zinc/81/58/76/473815876.db2.gz MSXVDSVRWCWDBU-WNHJNPCNSA-N 1 3 343.515 2.790 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000173395716 473826467 /nfs/dbraw/zinc/82/64/67/473826467.db2.gz HUFOZLOLUJAIGP-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000173395716 473826468 /nfs/dbraw/zinc/82/64/68/473826468.db2.gz HUFOZLOLUJAIGP-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194009865 473827750 /nfs/dbraw/zinc/82/77/50/473827750.db2.gz DSYDLLZMMUHXIO-NZSAHSFTSA-N 1 3 330.472 2.674 20 0 EFADHO CC[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[NH+](CC)CC ZINC000269596014 473842787 /nfs/dbraw/zinc/84/27/87/473842787.db2.gz FAUAKMNEEVLSAQ-APWZRJJASA-N 1 3 346.519 2.844 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000288177094 473866633 /nfs/dbraw/zinc/86/66/33/473866633.db2.gz PLVPJMVPRYPDIA-BHIYHBOVSA-N 1 3 346.519 2.804 20 0 EFADHO COc1cc(CNC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C ZINC000194274924 473872006 /nfs/dbraw/zinc/87/20/06/473872006.db2.gz ROIVKSUPHNNYNX-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO O=C(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1Cc2ccccc2C1 ZINC000246485294 473877641 /nfs/dbraw/zinc/87/76/41/473877641.db2.gz ROBMVFDDLDPFFN-OALUTQOASA-N 1 3 327.472 2.525 20 0 EFADHO O=C(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)N1Cc2ccccc2C1 ZINC000246485294 473877650 /nfs/dbraw/zinc/87/76/50/473877650.db2.gz ROBMVFDDLDPFFN-OALUTQOASA-N 1 3 327.472 2.525 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000281939176 473890335 /nfs/dbraw/zinc/89/03/35/473890335.db2.gz LCBSMGMDBGALNK-CQSZACIVSA-N 1 3 329.444 2.695 20 0 EFADHO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173617780 473891445 /nfs/dbraw/zinc/89/14/45/473891445.db2.gz LDMYZNJKIGKOMW-JKSUJKDBSA-N 1 3 347.503 2.723 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000246531369 473892054 /nfs/dbraw/zinc/89/20/54/473892054.db2.gz RVRRVARFORBUEA-QAPCUYQASA-N 1 3 335.517 2.637 20 0 EFADHO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173617791 473892091 /nfs/dbraw/zinc/89/20/91/473892091.db2.gz LDMYZNJKIGKOMW-CVEARBPZSA-N 1 3 347.503 2.723 20 0 EFADHO Cc1cncc([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000274638389 473905758 /nfs/dbraw/zinc/90/57/58/473905758.db2.gz SSCBOPWXKYUIAE-GOSISDBHSA-N 1 3 339.487 2.648 20 0 EFADHO Cc1cncc([C@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000274638390 473906057 /nfs/dbraw/zinc/90/60/57/473906057.db2.gz SSCBOPWXKYUIAE-SFHVURJKSA-N 1 3 339.487 2.648 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000263929292 473907967 /nfs/dbraw/zinc/90/79/67/473907967.db2.gz BNRMQGJMSSVHCF-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000263929292 473907970 /nfs/dbraw/zinc/90/79/70/473907970.db2.gz BNRMQGJMSSVHCF-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO COCC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000281995471 473911389 /nfs/dbraw/zinc/91/13/89/473911389.db2.gz CRFPLVOWUHMLJE-UYAOXDASSA-N 1 3 334.504 2.964 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000194563431 473918926 /nfs/dbraw/zinc/91/89/26/473918926.db2.gz SVFPRBVLSRMSNL-KRWDZBQOSA-N 1 3 339.483 2.871 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173779923 473930172 /nfs/dbraw/zinc/93/01/72/473930172.db2.gz TVCGAWFFZQIKHN-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173779923 473930179 /nfs/dbraw/zinc/93/01/79/473930179.db2.gz TVCGAWFFZQIKHN-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000246702553 473937913 /nfs/dbraw/zinc/93/79/13/473937913.db2.gz YMMFUKWOBAAZOB-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274767480 473951310 /nfs/dbraw/zinc/95/13/10/473951310.db2.gz LMWVEAHZHKUYNP-WDSOQIARSA-N 1 3 345.487 2.717 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274767480 473951317 /nfs/dbraw/zinc/95/13/17/473951317.db2.gz LMWVEAHZHKUYNP-WDSOQIARSA-N 1 3 345.487 2.717 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246806971 473968665 /nfs/dbraw/zinc/96/86/65/473968665.db2.gz BCHIFBIDVAPMRZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246806971 473968668 /nfs/dbraw/zinc/96/86/68/473968668.db2.gz BCHIFBIDVAPMRZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@@H+]1CC[C@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@@H](C)C1 ZINC000246817409 473973347 /nfs/dbraw/zinc/97/33/47/473973347.db2.gz BAAXUQUXWJXKON-UEXGIBASSA-N 1 3 345.531 2.727 20 0 EFADHO CC[N@H+]1CC[C@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@@H](C)C1 ZINC000246817409 473973350 /nfs/dbraw/zinc/97/33/50/473973350.db2.gz BAAXUQUXWJXKON-UEXGIBASSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)[C@@H](C)C1 ZINC000246817409 473973355 /nfs/dbraw/zinc/97/33/55/473973355.db2.gz BAAXUQUXWJXKON-UEXGIBASSA-N 1 3 345.531 2.727 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000633957688 480073060 /nfs/dbraw/zinc/07/30/60/480073060.db2.gz OLMTVBIUAVGKNM-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000246895291 473996009 /nfs/dbraw/zinc/99/60/09/473996009.db2.gz FOVVZCOYKNDUSL-BPLDGKMQSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000246895291 473996014 /nfs/dbraw/zinc/99/60/14/473996014.db2.gz FOVVZCOYKNDUSL-BPLDGKMQSA-N 1 3 346.393 2.517 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1(C)C ZINC000282267433 474002674 /nfs/dbraw/zinc/00/26/74/474002674.db2.gz KIPRSXWNENLWNT-MRXNPFEDSA-N 1 3 337.508 2.978 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000195127624 474011458 /nfs/dbraw/zinc/01/14/58/474011458.db2.gz YQODDXJUORWPHV-HZPDHXFCSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000195127624 474011461 /nfs/dbraw/zinc/01/14/61/474011461.db2.gz YQODDXJUORWPHV-HZPDHXFCSA-N 1 3 338.521 2.524 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000195130812 474013097 /nfs/dbraw/zinc/01/30/97/474013097.db2.gz ZCOODZHMCLMFND-CVEARBPZSA-N 1 3 335.517 2.637 20 0 EFADHO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274928857 474016473 /nfs/dbraw/zinc/01/64/73/474016473.db2.gz QNPKHFWWTPAHTQ-UHOSZYNNSA-N 1 3 343.515 2.886 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195191241 474026539 /nfs/dbraw/zinc/02/65/39/474026539.db2.gz RLFAQUXCYBBELI-QAPCUYQASA-N 1 3 325.497 2.565 20 0 EFADHO COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c2ccccc12 ZINC000282340693 474028625 /nfs/dbraw/zinc/02/86/25/474028625.db2.gz MBWOIGXOZLQLFX-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000188236593 474029288 /nfs/dbraw/zinc/02/92/88/474029288.db2.gz LQUDOWYSVFLJQP-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CCO[C@@H]1C[C@](N)(C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1(C)C ZINC000188246296 474031086 /nfs/dbraw/zinc/03/10/86/474031086.db2.gz GTWSSRCMRVBTHR-APWZRJJASA-N 1 3 333.476 2.528 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC(C)CC1 ZINC000174387611 474033041 /nfs/dbraw/zinc/03/30/41/474033041.db2.gz OZTMNMDOJGZFIO-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC(C)CC1 ZINC000174387611 474033051 /nfs/dbraw/zinc/03/30/51/474033051.db2.gz OZTMNMDOJGZFIO-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CN(CCC(=O)NC1CCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402547 474036904 /nfs/dbraw/zinc/03/69/04/474036904.db2.gz NQZDDHHTBGQITC-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCC(=O)NC1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402547 474036911 /nfs/dbraw/zinc/03/69/11/474036911.db2.gz NQZDDHHTBGQITC-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000188286503 474045118 /nfs/dbraw/zinc/04/51/18/474045118.db2.gz SWJHNWSNIMKUET-OAHLLOKOSA-N 1 3 331.435 2.882 20 0 EFADHO CN(C)C/C=C/C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264610351 474058836 /nfs/dbraw/zinc/05/88/36/474058836.db2.gz HYAQTURZIMJKAW-BQYQJAHWSA-N 1 3 329.488 2.797 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)[C@H](C)C1 ZINC000247112867 474066455 /nfs/dbraw/zinc/06/64/55/474066455.db2.gz TZSFVANMNIXHKN-LSTHTHJFSA-N 1 3 349.494 2.519 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000282443204 474066838 /nfs/dbraw/zinc/06/68/38/474066838.db2.gz UOYWVBPERRPBKV-INIZCTEOSA-N 1 3 347.503 2.525 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182060743 474090579 /nfs/dbraw/zinc/09/05/79/474090579.db2.gz WGWMHRBYVBBWSP-LPHOPBHVSA-N 1 3 349.494 2.903 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC(CC[NH+](C)C)CC1 ZINC000182080730 474094972 /nfs/dbraw/zinc/09/49/72/474094972.db2.gz DLTGMGDFYBHSLF-UHFFFAOYSA-N 1 3 334.460 2.516 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174781206 474096192 /nfs/dbraw/zinc/09/61/92/474096192.db2.gz RWESAWLJLGBJPV-YQQQUEKLSA-N 1 3 344.503 2.563 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174781206 474096200 /nfs/dbraw/zinc/09/62/00/474096200.db2.gz RWESAWLJLGBJPV-YQQQUEKLSA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000174787645 474097537 /nfs/dbraw/zinc/09/75/37/474097537.db2.gz CPXIFKHRMCDIFP-MJGOQNOKSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000174787645 474097543 /nfs/dbraw/zinc/09/75/43/474097543.db2.gz CPXIFKHRMCDIFP-MJGOQNOKSA-N 1 3 346.519 2.805 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247254688 474101414 /nfs/dbraw/zinc/10/14/14/474101414.db2.gz ZYKUZLKRFBLYCJ-JXFKEZNVSA-N 1 3 347.503 2.872 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000282600217 474124959 /nfs/dbraw/zinc/12/49/59/474124959.db2.gz HJVPFWHTYLKXFT-UHFFFAOYSA-N 1 3 347.547 2.594 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)CCc1ccccc1 ZINC000282600217 474124964 /nfs/dbraw/zinc/12/49/64/474124964.db2.gz HJVPFWHTYLKXFT-UHFFFAOYSA-N 1 3 347.547 2.594 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000247369412 474130627 /nfs/dbraw/zinc/13/06/27/474130627.db2.gz DWFAIHHDVBMCNZ-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000247369412 474130637 /nfs/dbraw/zinc/13/06/37/474130637.db2.gz DWFAIHHDVBMCNZ-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C(C)(C)O1 ZINC000182265154 474138888 /nfs/dbraw/zinc/13/88/88/474138888.db2.gz NTOSCGSADWHNEE-ROUUACIJSA-N 1 3 332.488 2.689 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264822857 474139713 /nfs/dbraw/zinc/13/97/13/474139713.db2.gz XRLRIUOQFMBAFP-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175101208 474142935 /nfs/dbraw/zinc/14/29/35/474142935.db2.gz TYWYMWKNMBGKGR-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000175101208 474142941 /nfs/dbraw/zinc/14/29/41/474142941.db2.gz TYWYMWKNMBGKGR-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289115728 474153240 /nfs/dbraw/zinc/15/32/40/474153240.db2.gz NFRHLLNPEIHGOO-QZTJIDSGSA-N 1 3 344.455 2.529 20 0 EFADHO OC1CC[NH+](CCCN[C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289117905 474153963 /nfs/dbraw/zinc/15/39/63/474153963.db2.gz DFIBSYFFWCHNTR-LJQANCHMSA-N 1 3 327.472 2.982 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270537262 474161984 /nfs/dbraw/zinc/16/19/84/474161984.db2.gz WQODZWREBSSSHA-SNVBAGLBSA-N 1 3 332.275 2.683 20 0 EFADHO O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000182381490 474162606 /nfs/dbraw/zinc/16/26/06/474162606.db2.gz CMXBMSBQDNEWKB-UHFFFAOYSA-N 1 3 330.472 2.836 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000222903246 474176226 /nfs/dbraw/zinc/17/62/26/474176226.db2.gz YOTFCDDRNAHZBQ-HZPDHXFCSA-N 1 3 325.497 2.898 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN(C)C(C)C ZINC000175281072 474178222 /nfs/dbraw/zinc/17/82/22/474178222.db2.gz OFHWWCBGQWQURN-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN(C)C(C)C ZINC000175281072 474178227 /nfs/dbraw/zinc/17/82/27/474178227.db2.gz OFHWWCBGQWQURN-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[NH+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000289220276 474187519 /nfs/dbraw/zinc/18/75/19/474187519.db2.gz CLKPRWOVBNUBBI-ROUUACIJSA-N 1 3 346.471 2.916 20 0 EFADHO O[C@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000282780636 474191574 /nfs/dbraw/zinc/19/15/74/474191574.db2.gz POEJVGLXIVNTQX-PMACEKPBSA-N 1 3 344.499 2.692 20 0 EFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)C1 ZINC000282780638 474191686 /nfs/dbraw/zinc/19/16/86/474191686.db2.gz POEJVGLXIVNTQX-UXHICEINSA-N 1 3 344.499 2.692 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289244695 474194677 /nfs/dbraw/zinc/19/46/77/474194677.db2.gz ZZHQBGXXNQEFRP-BPQIPLTHSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289244695 474194688 /nfs/dbraw/zinc/19/46/88/474194688.db2.gz ZZHQBGXXNQEFRP-BPQIPLTHSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289244700 474194898 /nfs/dbraw/zinc/19/48/98/474194898.db2.gz ZZHQBGXXNQEFRP-KBAYOESNSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289244700 474194903 /nfs/dbraw/zinc/19/49/03/474194903.db2.gz ZZHQBGXXNQEFRP-KBAYOESNSA-N 1 3 344.455 2.672 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn1C(C)C ZINC000270659204 474209954 /nfs/dbraw/zinc/20/99/54/474209954.db2.gz MFVHPOAGBKKLML-KRWDZBQOSA-N 1 3 334.508 2.557 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccn1C(C)C ZINC000270659204 474209961 /nfs/dbraw/zinc/20/99/61/474209961.db2.gz MFVHPOAGBKKLML-KRWDZBQOSA-N 1 3 334.508 2.557 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)N(CC)CC ZINC000265448699 474217973 /nfs/dbraw/zinc/21/79/73/474217973.db2.gz CEJYNYFMXIDGBH-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000247960711 474232742 /nfs/dbraw/zinc/23/27/42/474232742.db2.gz GFNCJDHMTANKDP-GRDNDAEWSA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000247960711 474232749 /nfs/dbraw/zinc/23/27/49/474232749.db2.gz GFNCJDHMTANKDP-GRDNDAEWSA-N 1 3 336.476 2.573 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000247969225 474235994 /nfs/dbraw/zinc/23/59/94/474235994.db2.gz ISNSIDSLJVNPAA-JKSUJKDBSA-N 1 3 328.464 2.577 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2c(OC)cc(OC)cc2OC)[C@@H](C)C1 ZINC000247998785 474242624 /nfs/dbraw/zinc/24/26/24/474242624.db2.gz KDXWCLHDUYXIJL-YOEHRIQHSA-N 1 3 336.476 2.575 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2c(OC)cc(OC)cc2OC)[C@@H](C)C1 ZINC000247998785 474242628 /nfs/dbraw/zinc/24/26/28/474242628.db2.gz KDXWCLHDUYXIJL-YOEHRIQHSA-N 1 3 336.476 2.575 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2c(OC)cc(OC)cc2OC)[C@@H](C)C1 ZINC000247998778 474243633 /nfs/dbraw/zinc/24/36/33/474243633.db2.gz KDXWCLHDUYXIJL-WMLDXEAASA-N 1 3 336.476 2.575 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2c(OC)cc(OC)cc2OC)[C@@H](C)C1 ZINC000247998778 474243642 /nfs/dbraw/zinc/24/36/42/474243642.db2.gz KDXWCLHDUYXIJL-WMLDXEAASA-N 1 3 336.476 2.575 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275604511 474250046 /nfs/dbraw/zinc/25/00/46/474250046.db2.gz HLGZJTVJECPSGD-UHFFFAOYSA-N 1 3 332.492 2.785 20 0 EFADHO COc1ccc(OC)c([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000248063458 474254025 /nfs/dbraw/zinc/25/40/25/474254025.db2.gz MALVMWVDGTUZEQ-HOTGVXAUSA-N 1 3 336.476 2.591 20 0 EFADHO COc1ccc(OC)c([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000248063458 474254033 /nfs/dbraw/zinc/25/40/33/474254033.db2.gz MALVMWVDGTUZEQ-HOTGVXAUSA-N 1 3 336.476 2.591 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000248127593 474263409 /nfs/dbraw/zinc/26/34/09/474263409.db2.gz OCDKLIGHNDPCBV-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCN3Cc3ccccc3)CC[C@H]21 ZINC000248127593 474263416 /nfs/dbraw/zinc/26/34/16/474263416.db2.gz OCDKLIGHNDPCBV-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO CC(C)C[NH+]1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000232602286 474266305 /nfs/dbraw/zinc/26/63/05/474266305.db2.gz BOROKCAHKQXQEA-UHFFFAOYSA-N 1 3 325.497 2.752 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)cc(Cl)c1 ZINC000289428112 474266536 /nfs/dbraw/zinc/26/65/36/474266536.db2.gz KEJRSMJFMBHTID-UHFFFAOYSA-N 1 3 327.875 2.937 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C1CC[NH2+]CC1 ZINC000236603433 474273164 /nfs/dbraw/zinc/27/31/64/474273164.db2.gz NHPGYFPFMVNBQD-LJQANCHMSA-N 1 3 343.515 2.575 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189050879 474276921 /nfs/dbraw/zinc/27/69/21/474276921.db2.gz VBHDXPCXQYZQAW-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000189050879 474276929 /nfs/dbraw/zinc/27/69/29/474276929.db2.gz VBHDXPCXQYZQAW-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236655367 474277629 /nfs/dbraw/zinc/27/76/29/474277629.db2.gz CROIMVGNMZJMDT-FQEVSTJZSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236655367 474277636 /nfs/dbraw/zinc/27/76/36/474277636.db2.gz CROIMVGNMZJMDT-FQEVSTJZSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236661129 474277743 /nfs/dbraw/zinc/27/77/43/474277743.db2.gz RLQCNRXNNIBASB-OALUTQOASA-N 1 3 331.504 2.602 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(C[NH3+])CCCC1)N1CCc2ccccc2C1 ZINC000236654400 474278121 /nfs/dbraw/zinc/27/81/21/474278121.db2.gz JWCHDKADIRYWGJ-IBGZPJMESA-N 1 3 343.515 2.705 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236674307 474279090 /nfs/dbraw/zinc/27/90/90/474279090.db2.gz MEWDWKPMDBFOSH-QRQLOZEOSA-N 1 3 343.515 2.703 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236682989 474281065 /nfs/dbraw/zinc/28/10/65/474281065.db2.gz RLQCNRXNNIBASB-RBUKOAKNSA-N 1 3 331.504 2.602 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236726046 474284969 /nfs/dbraw/zinc/28/49/69/474284969.db2.gz FADWZKCQXCEILF-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236726046 474284971 /nfs/dbraw/zinc/28/49/71/474284971.db2.gz FADWZKCQXCEILF-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000189095678 474289160 /nfs/dbraw/zinc/28/91/60/474289160.db2.gz JPIHYYBNONJNCC-GOSISDBHSA-N 1 3 334.508 2.581 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000236910114 474301249 /nfs/dbraw/zinc/30/12/49/474301249.db2.gz GLICQWZBIBRPMG-KBXCAEBGSA-N 1 3 333.476 2.782 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000236918558 474303346 /nfs/dbraw/zinc/30/33/46/474303346.db2.gz GVOAXUNLPXFPDU-HXUWFJFHSA-N 1 3 339.483 2.715 20 0 EFADHO OCCCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395083 474306129 /nfs/dbraw/zinc/30/61/29/474306129.db2.gz FYFHRULVMZHNPO-VAMGGRTRSA-N 1 3 348.556 2.992 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000236938610 474306853 /nfs/dbraw/zinc/30/68/53/474306853.db2.gz KBIZGEZOAWOTNB-AEFFLSMTSA-N 1 3 331.504 2.746 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000236938610 474306859 /nfs/dbraw/zinc/30/68/59/474306859.db2.gz KBIZGEZOAWOTNB-AEFFLSMTSA-N 1 3 331.504 2.746 20 0 EFADHO CCC[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000236941225 474307124 /nfs/dbraw/zinc/30/71/24/474307124.db2.gz HJNRIZCJIQDHEU-QGZVFWFLSA-N 1 3 337.895 2.796 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236948193 474307883 /nfs/dbraw/zinc/30/78/83/474307883.db2.gz HTXROBHMHCXNRS-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236948193 474307890 /nfs/dbraw/zinc/30/78/90/474307890.db2.gz HTXROBHMHCXNRS-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000183039226 474312013 /nfs/dbraw/zinc/31/20/13/474312013.db2.gz GDWVYAKMNXVSBU-KSSFIOAISA-N 1 3 332.492 2.529 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000236962693 474312222 /nfs/dbraw/zinc/31/22/22/474312222.db2.gz UKRLBGNJQRIPRJ-ZNBHLAFESA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189168728 474313788 /nfs/dbraw/zinc/31/37/88/474313788.db2.gz RMDQGAXAWOKPKU-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(=O)NC(C)(C)C ZINC000248414479 474314304 /nfs/dbraw/zinc/31/43/04/474314304.db2.gz MSXVDSVRWCWDBU-WZGPROSRSA-N 1 3 343.515 2.790 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000248427278 474318569 /nfs/dbraw/zinc/31/85/69/474318569.db2.gz ADGFVXYHKOTLIB-IIBYNOLFSA-N 1 3 340.467 2.596 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000248427278 474318571 /nfs/dbraw/zinc/31/85/71/474318571.db2.gz ADGFVXYHKOTLIB-IIBYNOLFSA-N 1 3 340.467 2.596 20 0 EFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000289545348 474318590 /nfs/dbraw/zinc/31/85/90/474318590.db2.gz XBOHNBBWMAVILA-UHFFFAOYSA-N 1 3 347.400 2.914 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000237056833 474330155 /nfs/dbraw/zinc/33/01/55/474330155.db2.gz UIQUUIGNSIIMSO-LJQANCHMSA-N 1 3 325.456 2.845 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125781 474332373 /nfs/dbraw/zinc/33/23/73/474332373.db2.gz ZMEQYRVXWDDRDC-HSALFYBXSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125781 474332381 /nfs/dbraw/zinc/33/23/81/474332381.db2.gz ZMEQYRVXWDDRDC-HSALFYBXSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125781 474332386 /nfs/dbraw/zinc/33/23/86/474332386.db2.gz ZMEQYRVXWDDRDC-HSALFYBXSA-N 1 3 343.515 2.649 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cccc4cc[nH]c43)CC2)CC1 ZINC000237070814 474332830 /nfs/dbraw/zinc/33/28/30/474332830.db2.gz WCVHAPZSVFVEFA-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000237082403 474333529 /nfs/dbraw/zinc/33/35/29/474333529.db2.gz HTXROBHMHCXNRS-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000237082403 474333537 /nfs/dbraw/zinc/33/35/37/474333537.db2.gz HTXROBHMHCXNRS-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237114391 474342067 /nfs/dbraw/zinc/34/20/67/474342067.db2.gz OGMMRYVIPAMXPS-GOEBONIOSA-N 1 3 335.517 2.766 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183682 474345478 /nfs/dbraw/zinc/34/54/78/474345478.db2.gz UFTSPCJTVKVOIP-BBTUJRGHSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183682 474345483 /nfs/dbraw/zinc/34/54/83/474345483.db2.gz UFTSPCJTVKVOIP-BBTUJRGHSA-N 1 3 344.547 2.965 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1Cl ZINC000237184237 474354011 /nfs/dbraw/zinc/35/40/11/474354011.db2.gz BPYJXVQULAGNSJ-CQSZACIVSA-N 1 3 327.856 2.592 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000237197805 474354976 /nfs/dbraw/zinc/35/49/76/474354976.db2.gz IMJNGALYCUKGCJ-CHWSQXEVSA-N 1 3 339.867 2.736 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1Cl ZINC000237198344 474355568 /nfs/dbraw/zinc/35/55/68/474355568.db2.gz AVEPDFOFEPBXCH-KRWDZBQOSA-N 1 3 339.867 2.609 20 0 EFADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237202786 474356926 /nfs/dbraw/zinc/35/69/26/474356926.db2.gz YSWQTEVYNYQCRY-RBUKOAKNSA-N 1 3 347.503 2.541 20 0 EFADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308892 474366031 /nfs/dbraw/zinc/36/60/31/474366031.db2.gz YVCHSEXKPCQSNY-MOPGFXCFSA-N 1 3 343.515 2.812 20 0 EFADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308892 474366041 /nfs/dbraw/zinc/36/60/41/474366041.db2.gz YVCHSEXKPCQSNY-MOPGFXCFSA-N 1 3 343.515 2.812 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CC1(O)CCN(C)CC1)CCCS2 ZINC000275937521 474366042 /nfs/dbraw/zinc/36/60/42/474366042.db2.gz YNCNNTMPDSWZGO-INIZCTEOSA-N 1 3 336.501 2.669 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269838 474371397 /nfs/dbraw/zinc/37/13/97/474371397.db2.gz HKGJNOQWAFGMFS-CEXWTWQISA-N 1 3 329.488 2.627 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000265881733 474372087 /nfs/dbraw/zinc/37/20/87/474372087.db2.gz YPGHCYGNRJLTAC-CYBMUJFWSA-N 1 3 334.851 2.816 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000265881733 474372094 /nfs/dbraw/zinc/37/20/94/474372094.db2.gz YPGHCYGNRJLTAC-CYBMUJFWSA-N 1 3 334.851 2.816 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000237276812 474372784 /nfs/dbraw/zinc/37/27/84/474372784.db2.gz OHBPJMUMNPVCRC-GOSISDBHSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000237277326 474373076 /nfs/dbraw/zinc/37/30/76/474373076.db2.gz XIPZEZPWPAANMR-MAUKXSAKSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237277326 474373084 /nfs/dbraw/zinc/37/30/84/474373084.db2.gz XIPZEZPWPAANMR-MAUKXSAKSA-N 1 3 349.544 2.758 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000183364963 474374693 /nfs/dbraw/zinc/37/46/93/474374693.db2.gz FAPZZPATVPRBFT-HNNXBMFYSA-N 1 3 335.458 2.971 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000183364941 474375381 /nfs/dbraw/zinc/37/53/81/474375381.db2.gz FAPZZPATVPRBFT-OAHLLOKOSA-N 1 3 335.458 2.971 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237322490 474380183 /nfs/dbraw/zinc/38/01/83/474380183.db2.gz KAPVMGRXRFRDBA-QAPCUYQASA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237322490 474380187 /nfs/dbraw/zinc/38/01/87/474380187.db2.gz KAPVMGRXRFRDBA-QAPCUYQASA-N 1 3 349.544 2.615 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCCC2)cc1 ZINC000237347916 474386176 /nfs/dbraw/zinc/38/61/76/474386176.db2.gz FFYLBRUTHKIYPH-MRXNPFEDSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCCC2)cc1 ZINC000237347916 474386183 /nfs/dbraw/zinc/38/61/83/474386183.db2.gz FFYLBRUTHKIYPH-MRXNPFEDSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237352465 474388030 /nfs/dbraw/zinc/38/80/30/474388030.db2.gz MDONZRBYXSBFGP-AZUAARDMSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237367731 474389592 /nfs/dbraw/zinc/38/95/92/474389592.db2.gz XCNUUHRFWICFJB-CIWUYKSXSA-N 1 3 331.504 2.949 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289715752 474392275 /nfs/dbraw/zinc/39/22/75/474392275.db2.gz BVISWGFTZZORIK-FQEVSTJZSA-N 1 3 341.499 2.744 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CNCc2[nH]ncc2C)cc1OC ZINC000289718836 474393840 /nfs/dbraw/zinc/39/38/40/474393840.db2.gz CTGXEDXWQANNPI-UHFFFAOYSA-N 1 3 346.475 2.737 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649330 474394107 /nfs/dbraw/zinc/39/41/07/474394107.db2.gz RKWDSQQBAUVHBR-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649330 474394115 /nfs/dbraw/zinc/39/41/15/474394115.db2.gz RKWDSQQBAUVHBR-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237388291 474394171 /nfs/dbraw/zinc/39/41/71/474394171.db2.gz LINKSLPFFQNPAL-HNBVOPMISA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237426825 474401068 /nfs/dbraw/zinc/40/10/68/474401068.db2.gz QGDBWEJKOJPPEJ-HNAYVOBHSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000237448842 474405908 /nfs/dbraw/zinc/40/59/08/474405908.db2.gz ALOLGZSXROSVMP-HNAYVOBHSA-N 1 3 325.456 2.701 20 0 EFADHO C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000237452956 474407989 /nfs/dbraw/zinc/40/79/89/474407989.db2.gz PKRHLSBGJRUDQN-DLBZAZTESA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000237470788 474413165 /nfs/dbraw/zinc/41/31/65/474413165.db2.gz DBOCDDMQWSMKHD-HNAYVOBHSA-N 1 3 341.455 2.902 20 0 EFADHO COC[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248722820 474415696 /nfs/dbraw/zinc/41/56/96/474415696.db2.gz GOTNAAPHQVNJCD-ROUUACIJSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248722820 474415700 /nfs/dbraw/zinc/41/57/00/474415700.db2.gz GOTNAAPHQVNJCD-ROUUACIJSA-N 1 3 340.895 2.854 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527499 474422130 /nfs/dbraw/zinc/42/21/30/474422130.db2.gz CIHAULBGJOEQRX-WMZOPIPTSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237527499 474422135 /nfs/dbraw/zinc/42/21/35/474422135.db2.gz CIHAULBGJOEQRX-WMZOPIPTSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237529834 474423743 /nfs/dbraw/zinc/42/37/43/474423743.db2.gz GTYSLLIDTJYPCD-WMZOPIPTSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237529834 474423750 /nfs/dbraw/zinc/42/37/50/474423750.db2.gz GTYSLLIDTJYPCD-WMZOPIPTSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237565193 474429753 /nfs/dbraw/zinc/42/97/53/474429753.db2.gz WOFHWEMPADGKMW-IEBWSBKVSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237566984 474432073 /nfs/dbraw/zinc/43/20/73/474432073.db2.gz AJRQVYQYCGKQHX-XLIONFOSSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237586236 474435119 /nfs/dbraw/zinc/43/51/19/474435119.db2.gz PYTZIEWSLHQCNY-QFUCXCTJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000237609882 474439520 /nfs/dbraw/zinc/43/95/20/474439520.db2.gz SNRHRHZRGYKWDZ-ROUUACIJSA-N 1 3 342.487 2.851 20 0 EFADHO COc1cc(OC)cc(N2CCC[N@H+](CC[C@H]3CCCN3C)CC2)c1 ZINC000271209197 474441923 /nfs/dbraw/zinc/44/19/23/474441923.db2.gz HCVJZEPDGQMGSZ-QGZVFWFLSA-N 1 3 347.503 2.700 20 0 EFADHO COc1cc(OC)cc(N2CCC[N@@H+](CC[C@H]3CCCN3C)CC2)c1 ZINC000271209197 474441929 /nfs/dbraw/zinc/44/19/29/474441929.db2.gz HCVJZEPDGQMGSZ-QGZVFWFLSA-N 1 3 347.503 2.700 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237644514 474448120 /nfs/dbraw/zinc/44/81/20/474448120.db2.gz OFAYHGZGGNIQCA-ZHALLVOQSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237650011 474450336 /nfs/dbraw/zinc/45/03/36/474450336.db2.gz XEYCEBQQVPTMRI-XLIONFOSSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000237653869 474451193 /nfs/dbraw/zinc/45/11/93/474451193.db2.gz ZHZRTSVCUROOAB-QRQLOZEOSA-N 1 3 331.504 2.740 20 0 EFADHO C[C@H](CC(=O)NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237657869 474453244 /nfs/dbraw/zinc/45/32/44/474453244.db2.gz NXOGIEKJSKXPIW-MISYRCLQSA-N 1 3 343.515 2.793 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000289851161 474455794 /nfs/dbraw/zinc/45/57/94/474455794.db2.gz CEYXDJVACIAKTP-MSOLQXFVSA-N 1 3 345.487 2.796 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237685001 474457285 /nfs/dbraw/zinc/45/72/85/474457285.db2.gz GNRHOZKACLYXNM-IYBDPMFKSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237685001 474457294 /nfs/dbraw/zinc/45/72/94/474457294.db2.gz GNRHOZKACLYXNM-IYBDPMFKSA-N 1 3 329.488 2.533 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)s1 ZINC000289855489 474457495 /nfs/dbraw/zinc/45/74/95/474457495.db2.gz QSGJXOFEMTVLBT-ZDUSSCGKSA-N 1 3 334.489 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283649176 474457779 /nfs/dbraw/zinc/45/77/79/474457779.db2.gz TWOHIXUXJMMJII-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283649176 474457787 /nfs/dbraw/zinc/45/77/87/474457787.db2.gz TWOHIXUXJMMJII-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000176399409 474463720 /nfs/dbraw/zinc/46/37/20/474463720.db2.gz FWPCUWJCPZRELL-RTBURBONSA-N 1 3 346.519 2.723 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176400220 474463840 /nfs/dbraw/zinc/46/38/40/474463840.db2.gz WTPGFOYUOQQJCL-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000237727453 474465808 /nfs/dbraw/zinc/46/58/08/474465808.db2.gz RQSVPKHFIZVSSM-UHFFFAOYSA-N 1 3 329.488 2.737 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237727631 474466161 /nfs/dbraw/zinc/46/61/61/474466161.db2.gz HVBYHPJKUCPZQO-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710064 474467965 /nfs/dbraw/zinc/46/79/65/474467965.db2.gz SPJWWIYQQJQINQ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710064 474467973 /nfs/dbraw/zinc/46/79/73/474467973.db2.gz SPJWWIYQQJQINQ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000289881612 474468984 /nfs/dbraw/zinc/46/89/84/474468984.db2.gz HXBOCERBFRKILC-HIFRSBDPSA-N 1 3 339.867 2.607 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000289881627 474469374 /nfs/dbraw/zinc/46/93/74/474469374.db2.gz HXBOCERBFRKILC-ZFWWWQNUSA-N 1 3 339.867 2.607 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000289881889 474469725 /nfs/dbraw/zinc/46/97/25/474469725.db2.gz WSGDWOVHSLYHOW-QZTJIDSGSA-N 1 3 346.471 2.919 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289881875 474469989 /nfs/dbraw/zinc/46/99/89/474469989.db2.gz WSGDWOVHSLYHOW-MSOLQXFVSA-N 1 3 346.471 2.919 20 0 EFADHO NC[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000237810516 474479682 /nfs/dbraw/zinc/47/96/82/474479682.db2.gz BXDSTUOAJWFLKQ-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000237822418 474482700 /nfs/dbraw/zinc/48/27/00/474482700.db2.gz OXHFTDLDPVBQCM-IRXDYDNUSA-N 1 3 343.496 2.744 20 0 EFADHO [NH3+][C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000237839613 474486114 /nfs/dbraw/zinc/48/61/14/474486114.db2.gz OSIODNOXOJXKTC-LJQANCHMSA-N 1 3 329.488 2.801 20 0 EFADHO [NH3+][C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000237875140 474490638 /nfs/dbraw/zinc/49/06/38/474490638.db2.gz OSIODNOXOJXKTC-IBGZPJMESA-N 1 3 329.488 2.801 20 0 EFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CCCC1 ZINC000237930455 474506341 /nfs/dbraw/zinc/50/63/41/474506341.db2.gz ZCEKISMHXDUDIG-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043056 474508936 /nfs/dbraw/zinc/50/89/36/474508936.db2.gz VGHCVIVYOYYXIV-MKXAEBJUSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043056 474508942 /nfs/dbraw/zinc/50/89/42/474508942.db2.gz VGHCVIVYOYYXIV-MKXAEBJUSA-N 1 3 337.508 2.989 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1 ZINC000237970274 474513996 /nfs/dbraw/zinc/51/39/96/474513996.db2.gz ZUPWBDOYDYGYJB-FQEVSTJZSA-N 1 3 337.467 2.930 20 0 EFADHO [NH3+]CCCCCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000237982450 474515168 /nfs/dbraw/zinc/51/51/68/474515168.db2.gz JHJHLALXUQQFKN-UHFFFAOYSA-N 1 3 341.565 2.764 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000266905745 474524036 /nfs/dbraw/zinc/52/40/36/474524036.db2.gz QZXGEYGBPRVKJI-XLIONFOSSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000266905745 474524041 /nfs/dbraw/zinc/52/40/41/474524041.db2.gz QZXGEYGBPRVKJI-XLIONFOSSA-N 1 3 343.515 2.840 20 0 EFADHO O=C(CC1CC[NH2+]CC1)NCc1ccccc1CN1CCCCC1 ZINC000238140426 474537566 /nfs/dbraw/zinc/53/75/66/474537566.db2.gz XKKQVIPPSIHSHI-UHFFFAOYSA-N 1 3 329.488 2.678 20 0 EFADHO CCCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249142619 474538172 /nfs/dbraw/zinc/53/81/72/474538172.db2.gz ZPXUBLSXHXNYJX-ZIFCJYIRSA-N 1 3 331.504 2.873 20 0 EFADHO COC[C@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000623015294 480110872 /nfs/dbraw/zinc/11/08/72/480110872.db2.gz WFMCUJSBDPTPKK-QUCCMNQESA-N 1 3 334.504 2.522 20 0 EFADHO COC[C@H](O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000623015294 480110875 /nfs/dbraw/zinc/11/08/75/480110875.db2.gz WFMCUJSBDPTPKK-QUCCMNQESA-N 1 3 334.504 2.522 20 0 EFADHO COC[C@H](O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000623015294 480110878 /nfs/dbraw/zinc/11/08/78/480110878.db2.gz WFMCUJSBDPTPKK-QUCCMNQESA-N 1 3 334.504 2.522 20 0 EFADHO C[C@@H](NCCOc1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000271513558 474576962 /nfs/dbraw/zinc/57/69/62/474576962.db2.gz OESHAJWCBXSVPE-OAHLLOKOSA-N 1 3 347.434 2.891 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245397274 474578825 /nfs/dbraw/zinc/57/88/25/474578825.db2.gz OPQFNONHHQLRGS-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000245397274 474578833 /nfs/dbraw/zinc/57/88/33/474578833.db2.gz OPQFNONHHQLRGS-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000271517182 474579702 /nfs/dbraw/zinc/57/97/02/474579702.db2.gz OZHXZEMNTQGAHA-DCPHZVHLSA-N 1 3 349.494 2.920 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249525022 474586443 /nfs/dbraw/zinc/58/64/43/474586443.db2.gz RWDSOQGTNJMUKG-QZTJIDSGSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000249525022 474586446 /nfs/dbraw/zinc/58/64/46/474586446.db2.gz RWDSOQGTNJMUKG-QZTJIDSGSA-N 1 3 338.540 2.530 20 0 EFADHO CC(C)[N@@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284168408 474587193 /nfs/dbraw/zinc/58/71/93/474587193.db2.gz QQEWDGHOKFLMPN-NRFANRHFSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)[N@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284168408 474587196 /nfs/dbraw/zinc/58/71/96/474587196.db2.gz QQEWDGHOKFLMPN-NRFANRHFSA-N 1 3 345.531 2.694 20 0 EFADHO CCCN(C(=O)C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000249542271 474589529 /nfs/dbraw/zinc/58/95/29/474589529.db2.gz FHMLMVYGURIMHJ-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCCCC1 ZINC000184750434 474599966 /nfs/dbraw/zinc/59/99/66/474599966.db2.gz YEMOMDQBXSAMKW-HTZLVSCSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cn[nH]c1 ZINC000284252831 474604231 /nfs/dbraw/zinc/60/42/31/474604231.db2.gz VTWLJUVRWJSEMQ-SFHVURJKSA-N 1 3 341.503 2.658 20 0 EFADHO Cn1ccc(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000267173252 474608240 /nfs/dbraw/zinc/60/82/40/474608240.db2.gz IOHYYNKJBHMPPA-UHFFFAOYSA-N 1 3 342.487 2.581 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267192952 474614432 /nfs/dbraw/zinc/61/44/32/474614432.db2.gz DOXNWDNMNSLNRA-BBTUJRGHSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267192952 474614437 /nfs/dbraw/zinc/61/44/37/474614437.db2.gz DOXNWDNMNSLNRA-BBTUJRGHSA-N 1 3 343.515 2.522 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCSC3)cc2)CC1 ZINC000278354844 474619175 /nfs/dbraw/zinc/61/91/75/474619175.db2.gz IOUNOFSIFIPSKH-LJQANCHMSA-N 1 3 333.545 2.667 20 0 EFADHO CC[C@H]1CC[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000249946677 474625862 /nfs/dbraw/zinc/62/58/62/474625862.db2.gz ULLLQUFNUNXRHQ-QAQDUYKDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000267325829 474648954 /nfs/dbraw/zinc/64/89/54/474648954.db2.gz KXWFYHNQQWSJEE-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1cc2ncc([C@@H](C)NCC3CC[NH+](C4CC4)CC3)c(C)n2n1 ZINC000278496655 474661586 /nfs/dbraw/zinc/66/15/86/474661586.db2.gz QDRXUNBWUCAGJR-CQSZACIVSA-N 1 3 327.476 2.871 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278505078 474667025 /nfs/dbraw/zinc/66/70/25/474667025.db2.gz ASIDEMALWHEBKL-LEWJYISDSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C ZINC000252504367 474683991 /nfs/dbraw/zinc/68/39/91/474683991.db2.gz AIYAOFCIKJBMMU-ZBFHGGJFSA-N 1 3 347.459 2.549 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C ZINC000252504367 474683999 /nfs/dbraw/zinc/68/39/99/474683999.db2.gz AIYAOFCIKJBMMU-ZBFHGGJFSA-N 1 3 347.459 2.549 20 0 EFADHO CCOCCN(C)Cc1cc(CN(C)CCOCC)cc(OC)c1 ZINC000292893055 474700781 /nfs/dbraw/zinc/70/07/81/474700781.db2.gz JMLNWPQXDMEMPV-UHFFFAOYSA-N 1 3 338.492 2.632 20 0 EFADHO CCOCCN(C)Cc1cc(C[N@H+](C)CCOCC)cc(OC)c1 ZINC000292893055 474700785 /nfs/dbraw/zinc/70/07/85/474700785.db2.gz JMLNWPQXDMEMPV-UHFFFAOYSA-N 1 3 338.492 2.632 20 0 EFADHO CCOCCN(C)Cc1cc(C[N@@H+](C)CCOCC)cc(OC)c1 ZINC000292893055 474700794 /nfs/dbraw/zinc/70/07/94/474700794.db2.gz JMLNWPQXDMEMPV-UHFFFAOYSA-N 1 3 338.492 2.632 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1cccc(Br)c1 ZINC000252715942 474708385 /nfs/dbraw/zinc/70/83/85/474708385.db2.gz XDUYCAJSJJGKDH-IUODEOHRSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1cccc(Br)c1 ZINC000252715942 474708392 /nfs/dbraw/zinc/70/83/92/474708392.db2.gz XDUYCAJSJJGKDH-IUODEOHRSA-N 1 3 327.266 2.758 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000252696273 474709561 /nfs/dbraw/zinc/70/95/61/474709561.db2.gz XQDVLUKPLCWBGL-NJYVYQBISA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000252696273 474709566 /nfs/dbraw/zinc/70/95/66/474709566.db2.gz XQDVLUKPLCWBGL-NJYVYQBISA-N 1 3 346.515 2.759 20 0 EFADHO CC[NH2+]CCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000634076329 480121705 /nfs/dbraw/zinc/12/17/05/480121705.db2.gz DRLBIKCQOUFELF-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH2+]CCCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000634076333 480121840 /nfs/dbraw/zinc/12/18/40/480121840.db2.gz DRLBIKCQOUFELF-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268009692 474750069 /nfs/dbraw/zinc/75/00/69/474750069.db2.gz JSWYPDGMLWCUHJ-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268009692 474750077 /nfs/dbraw/zinc/75/00/77/474750077.db2.gz JSWYPDGMLWCUHJ-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636732 474750690 /nfs/dbraw/zinc/75/06/90/474750690.db2.gz ORMIPJRAEFTCMM-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278636732 474750697 /nfs/dbraw/zinc/75/06/97/474750697.db2.gz ORMIPJRAEFTCMM-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCOc3ccccc3)CC2)C[C@H](C)O1 ZINC000338939552 474754885 /nfs/dbraw/zinc/75/48/85/474754885.db2.gz SYKRKOPBMCHBHT-HDICACEKSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000291931116 474758449 /nfs/dbraw/zinc/75/84/49/474758449.db2.gz PEUXZPUHSNHUMW-CQSZACIVSA-N 1 3 331.460 2.953 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000291931116 474758458 /nfs/dbraw/zinc/75/84/58/474758458.db2.gz PEUXZPUHSNHUMW-CQSZACIVSA-N 1 3 331.460 2.953 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000273188020 474766783 /nfs/dbraw/zinc/76/67/83/474766783.db2.gz HQUANKDUVPQBHV-MRXNPFEDSA-N 1 3 331.504 2.718 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000273222490 474786400 /nfs/dbraw/zinc/78/64/00/474786400.db2.gz PKKHFVXMPVCDLI-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CC2CCN(C)CC2)CC1 ZINC000273222490 474786409 /nfs/dbraw/zinc/78/64/09/474786409.db2.gz PKKHFVXMPVCDLI-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000340928447 474787200 /nfs/dbraw/zinc/78/72/00/474787200.db2.gz DKGCIBBXJJQXNF-VQIMIIECSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000340932803 474790798 /nfs/dbraw/zinc/79/07/98/474790798.db2.gz XMAMGEDYDQEVAU-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)Cc1cccc(NC(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000623066060 480126740 /nfs/dbraw/zinc/12/67/40/480126740.db2.gz YLDJFMHFLLRCCE-UHFFFAOYSA-N 1 3 328.416 2.730 20 0 EFADHO CC[N@H+](CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C1CC1 ZINC000338986871 474807001 /nfs/dbraw/zinc/80/70/01/474807001.db2.gz GPOYUKDIEBDELF-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C1CC1 ZINC000338986871 474807011 /nfs/dbraw/zinc/80/70/11/474807011.db2.gz GPOYUKDIEBDELF-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000623062754 480127251 /nfs/dbraw/zinc/12/72/51/480127251.db2.gz ZZYUAZHGCQVGCX-GOSISDBHSA-N 1 3 344.503 2.992 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884659 474811137 /nfs/dbraw/zinc/81/11/37/474811137.db2.gz REBINVNBQFQTLI-LMCOJAPRSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884659 474811140 /nfs/dbraw/zinc/81/11/40/474811140.db2.gz REBINVNBQFQTLI-LMCOJAPRSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884659 474811143 /nfs/dbraw/zinc/81/11/43/474811143.db2.gz REBINVNBQFQTLI-LMCOJAPRSA-N 1 3 331.504 2.521 20 0 EFADHO O[C@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000307935266 474814021 /nfs/dbraw/zinc/81/40/21/474814021.db2.gz KQTALYRNCLPVAY-ZACQAIPSSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1)CC(F)(F)F ZINC000307935266 474814025 /nfs/dbraw/zinc/81/40/25/474814025.db2.gz KQTALYRNCLPVAY-ZACQAIPSSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(I)cc1)CN(C)C ZINC000309741999 474821482 /nfs/dbraw/zinc/82/14/82/474821482.db2.gz HZLOAGSEFUXOBG-LLVKDONJSA-N 1 3 332.229 2.579 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000340965042 474827212 /nfs/dbraw/zinc/82/72/12/474827212.db2.gz SPEFNMQHDIFOPK-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976893 474849478 /nfs/dbraw/zinc/84/94/78/474849478.db2.gz XOGYECMJVVKNBF-TYIUSFPZSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976893 474849484 /nfs/dbraw/zinc/84/94/84/474849484.db2.gz XOGYECMJVVKNBF-TYIUSFPZSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976893 474849492 /nfs/dbraw/zinc/84/94/92/474849492.db2.gz XOGYECMJVVKNBF-TYIUSFPZSA-N 1 3 345.531 2.767 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000340991802 474855448 /nfs/dbraw/zinc/85/54/48/474855448.db2.gz QGNHNHBESSXNNO-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000292142022 474870828 /nfs/dbraw/zinc/87/08/28/474870828.db2.gz SRXUVPPQRZRFHU-RTBURBONSA-N 1 3 329.488 2.780 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341007569 474874107 /nfs/dbraw/zinc/87/41/07/474874107.db2.gz ARNLYCAHYYUIIQ-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341007569 474874111 /nfs/dbraw/zinc/87/41/11/474874111.db2.gz ARNLYCAHYYUIIQ-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000278862336 474878677 /nfs/dbraw/zinc/87/86/77/474878677.db2.gz RDURDCREJRVYIR-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000278862336 474878688 /nfs/dbraw/zinc/87/86/88/474878688.db2.gz RDURDCREJRVYIR-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000278862336 474878692 /nfs/dbraw/zinc/87/86/92/474878692.db2.gz RDURDCREJRVYIR-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000317390462 474886198 /nfs/dbraw/zinc/88/61/98/474886198.db2.gz JWDQPILJNCLMRS-BNOWGMLFSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000317390462 474886208 /nfs/dbraw/zinc/88/62/08/474886208.db2.gz JWDQPILJNCLMRS-BNOWGMLFSA-N 1 3 347.286 2.805 20 0 EFADHO COc1ccc(C2([NH2+]CCCN3CCN(C(C)C)CC3)CC2)cc1 ZINC000337319642 474892261 /nfs/dbraw/zinc/89/22/61/474892261.db2.gz OAUSLOLAWULKEF-UHFFFAOYSA-N 1 3 331.504 2.690 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1cccc(Br)c1F ZINC000623087286 480132216 /nfs/dbraw/zinc/13/22/16/480132216.db2.gz JEPJQDNIOOGNNI-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1cccc(Br)c1F ZINC000623087286 480132219 /nfs/dbraw/zinc/13/22/19/480132219.db2.gz JEPJQDNIOOGNNI-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1c(F)cccc1Cl ZINC000339070706 474899338 /nfs/dbraw/zinc/89/93/38/474899338.db2.gz OAYSNLPBRPDCEV-RRFJBIMHSA-N 1 3 340.870 2.847 20 0 EFADHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1c(F)cccc1Cl ZINC000339070706 474899346 /nfs/dbraw/zinc/89/93/46/474899346.db2.gz OAYSNLPBRPDCEV-RRFJBIMHSA-N 1 3 340.870 2.847 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000292203030 474901611 /nfs/dbraw/zinc/90/16/11/474901611.db2.gz YJHZYCWZYPXBIF-JKSUJKDBSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCCC[C@@H]1C ZINC000337328986 474902286 /nfs/dbraw/zinc/90/22/86/474902286.db2.gz FLJAZDUWMBCSFR-DLBZAZTESA-N 1 3 338.540 2.861 20 0 EFADHO CC(C)[C@H](CNC(=O)NCCN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000337331953 474904757 /nfs/dbraw/zinc/90/47/57/474904757.db2.gz IWJGNTLOIMYMTR-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@H]3O)CC1)CCC2 ZINC000285143764 474906544 /nfs/dbraw/zinc/90/65/44/474906544.db2.gz LZMXQWLEZSOGLI-HSALFYBXSA-N 1 3 330.472 2.737 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1nc(-c2ccccc2)cs1 ZINC000623088109 480133876 /nfs/dbraw/zinc/13/38/76/480133876.db2.gz WSUPQSGNUVXJJZ-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1nc(-c2ccccc2)cs1 ZINC000623088109 480133884 /nfs/dbraw/zinc/13/38/84/480133884.db2.gz WSUPQSGNUVXJJZ-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO CN(CCCNCc1nc(-c2ccccc2)cs1)CC[NH+](C)C ZINC000623088109 480133892 /nfs/dbraw/zinc/13/38/92/480133892.db2.gz WSUPQSGNUVXJJZ-UHFFFAOYSA-N 1 3 332.517 2.783 20 0 EFADHO CCc1cc(OC)ccc1C[NH2+]CCCCN1CCN(CC)CC1 ZINC000337343447 474915657 /nfs/dbraw/zinc/91/56/57/474915657.db2.gz SJBHXGBMIXXRQO-UHFFFAOYSA-N 1 3 333.520 2.765 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000341053637 474919886 /nfs/dbraw/zinc/91/98/86/474919886.db2.gz JHYCFGCFXWLJBG-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000341053637 474919894 /nfs/dbraw/zinc/91/98/94/474919894.db2.gz JHYCFGCFXWLJBG-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000337353187 474926454 /nfs/dbraw/zinc/92/64/54/474926454.db2.gz AWWIDVZRJHKVRA-KZNAEPCWSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@H]1C ZINC000337353187 474926461 /nfs/dbraw/zinc/92/64/61/474926461.db2.gz AWWIDVZRJHKVRA-KZNAEPCWSA-N 1 3 338.540 2.813 20 0 EFADHO CCC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268332901 474928647 /nfs/dbraw/zinc/92/86/47/474928647.db2.gz IZBSGWWOMXOXGD-FQEVSTJZSA-N 1 3 333.520 2.858 20 0 EFADHO CN(CCCNCc1csc(-c2cccs2)n1)CC[NH+](C)C ZINC000623088028 480134989 /nfs/dbraw/zinc/13/49/89/480134989.db2.gz SUTBLHHPGDNWRI-UHFFFAOYSA-N 1 3 338.546 2.845 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](C)N1CCCC[C@H]1C)C(C)C ZINC000337364846 474941791 /nfs/dbraw/zinc/94/17/91/474941791.db2.gz KNOZMNCLQLVDGK-IAGOWNOFSA-N 1 3 326.529 2.667 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000278977187 474950469 /nfs/dbraw/zinc/95/04/69/474950469.db2.gz OEURFJQJLKAUKY-YZGWKJHDSA-N 1 3 338.499 2.946 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000341084850 474955580 /nfs/dbraw/zinc/95/55/80/474955580.db2.gz CXPRHXKFRBRKRF-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000324763390 474976246 /nfs/dbraw/zinc/97/62/46/474976246.db2.gz XBJYMLAAFFEERA-PKOBYXMFSA-N 1 3 331.504 2.966 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000324763388 474976602 /nfs/dbraw/zinc/97/66/02/474976602.db2.gz XBJYMLAAFFEERA-IEBWSBKVSA-N 1 3 331.504 2.966 20 0 EFADHO C[C@H](NC(=O)C1(N)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261555839 474982059 /nfs/dbraw/zinc/98/20/59/474982059.db2.gz QCTLJWNQBAHWLE-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC(=O)C1(N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261555839 474982068 /nfs/dbraw/zinc/98/20/68/474982068.db2.gz QCTLJWNQBAHWLE-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC(=O)C1(N)CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261555840 474982794 /nfs/dbraw/zinc/98/27/94/474982794.db2.gz QCTLJWNQBAHWLE-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC(=O)C1(N)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261555840 474982801 /nfs/dbraw/zinc/98/28/01/474982801.db2.gz QCTLJWNQBAHWLE-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261548908 474982837 /nfs/dbraw/zinc/98/28/37/474982837.db2.gz JYJYPWWOGBRNRO-ROUUACIJSA-N 1 3 329.488 2.627 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000345200127 474985297 /nfs/dbraw/zinc/98/52/97/474985297.db2.gz IMBNYKJSJNRNHO-UHFFFAOYSA-N 1 3 348.487 2.874 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000325387680 474987616 /nfs/dbraw/zinc/98/76/16/474987616.db2.gz YSVFTNXTADSMKF-HOCLYGCPSA-N 1 3 333.476 2.721 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@H]3CCC[NH2+]3)CC1)O[C@H](C)C2 ZINC000325454586 474989584 /nfs/dbraw/zinc/98/95/84/474989584.db2.gz YPIFONXMOBEBEM-RDTXWAMCSA-N 1 3 330.472 2.983 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261607590 474992680 /nfs/dbraw/zinc/99/26/80/474992680.db2.gz AVGZWUGNOUPVSY-BEFAXECRSA-N 1 3 345.487 2.611 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261607590 474992687 /nfs/dbraw/zinc/99/26/87/474992687.db2.gz AVGZWUGNOUPVSY-BEFAXECRSA-N 1 3 345.487 2.611 20 0 EFADHO Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261609489 474993004 /nfs/dbraw/zinc/99/30/04/474993004.db2.gz BRVFEWCVYGVGIT-MSOLQXFVSA-N 1 3 334.467 2.790 20 0 EFADHO Cn1c2ccccc2nc1CC[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000261609489 474993013 /nfs/dbraw/zinc/99/30/13/474993013.db2.gz BRVFEWCVYGVGIT-MSOLQXFVSA-N 1 3 334.467 2.790 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OC(F)(F)F)CC1 ZINC000268462974 474993130 /nfs/dbraw/zinc/99/31/30/474993130.db2.gz ZZKAKNSRXVAMLY-UHFFFAOYSA-N 1 3 346.393 2.910 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)c1 ZINC000261615685 474996525 /nfs/dbraw/zinc/99/65/25/474996525.db2.gz FLGYGTUKKSWGID-NMLBUPMWSA-N 1 3 331.504 2.808 20 0 EFADHO COCC[C@H](c1ccccc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341123011 474999507 /nfs/dbraw/zinc/99/95/07/474999507.db2.gz HIQPIWMTSFUSHV-HXUWFJFHSA-N 1 3 333.520 2.722 20 0 EFADHO COCC[C@H](c1ccccc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341123011 474999518 /nfs/dbraw/zinc/99/95/18/474999518.db2.gz HIQPIWMTSFUSHV-HXUWFJFHSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000273688603 475013306 /nfs/dbraw/zinc/01/33/06/475013306.db2.gz HXEKASAONMWMOU-YLJYHZDGSA-N 1 3 339.487 2.792 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000273688603 475013314 /nfs/dbraw/zinc/01/33/14/475013314.db2.gz HXEKASAONMWMOU-YLJYHZDGSA-N 1 3 339.487 2.792 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261674745 475019918 /nfs/dbraw/zinc/01/99/18/475019918.db2.gz AWFPHXNDCFEDLL-UYAOXDASSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261698140 475029601 /nfs/dbraw/zinc/02/96/01/475029601.db2.gz OLQJIWAEEGSESI-RVKKMQEKSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261702269 475031726 /nfs/dbraw/zinc/03/17/26/475031726.db2.gz INJLGFDRYGHMLN-VBSBHUPXSA-N 1 3 343.515 2.873 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000337455886 475034899 /nfs/dbraw/zinc/03/48/99/475034899.db2.gz JDPFVVHMIMGPBM-LJQANCHMSA-N 1 3 341.499 2.935 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000261763876 475054638 /nfs/dbraw/zinc/05/46/38/475054638.db2.gz IFHUTRCAPMRJBA-HKUYNNGSSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000261763879 475055619 /nfs/dbraw/zinc/05/56/19/475055619.db2.gz IFHUTRCAPMRJBA-PKOBYXMFSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@@H](C)O1 ZINC000261771842 475056894 /nfs/dbraw/zinc/05/68/94/475056894.db2.gz ZEVMFAZUFAESLP-IAGOWNOFSA-N 1 3 331.504 2.980 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000337481242 475056990 /nfs/dbraw/zinc/05/69/90/475056990.db2.gz VVZDDEVOBKDYNP-ZWKOTPCHSA-N 1 3 325.541 2.586 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261767278 475057097 /nfs/dbraw/zinc/05/70/97/475057097.db2.gz KDCFLDMBDQORBD-HSALFYBXSA-N 1 3 343.515 2.875 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1)C1CC1 ZINC000261775175 475058818 /nfs/dbraw/zinc/05/88/18/475058818.db2.gz KUMMABDHTHPUHC-KDURUIRLSA-N 1 3 341.499 2.743 20 0 EFADHO CNC(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000268912141 475065935 /nfs/dbraw/zinc/06/59/35/475065935.db2.gz UCQOTUAZILCXTJ-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](COC)Cc2ccccc2)[C@@H](C)C1 ZINC000268918021 475070195 /nfs/dbraw/zinc/07/01/95/475070195.db2.gz OIHPUZKVUBGMQT-JBACZVJFSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](COC)Cc2ccccc2)[C@@H](C)C1 ZINC000268918021 475070206 /nfs/dbraw/zinc/07/02/06/475070206.db2.gz OIHPUZKVUBGMQT-JBACZVJFSA-N 1 3 348.531 2.971 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000261812051 475071059 /nfs/dbraw/zinc/07/10/59/475071059.db2.gz LWHNOGPQACDRBN-IIDMSEBBSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000261813490 475073294 /nfs/dbraw/zinc/07/32/94/475073294.db2.gz HEORYSAPMJODFS-QFBILLFUSA-N 1 3 347.503 2.584 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000261825919 475076073 /nfs/dbraw/zinc/07/60/73/475076073.db2.gz SYYXUISOZNVNAD-YQQAZPJKSA-N 1 3 335.517 2.594 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000261825918 475076320 /nfs/dbraw/zinc/07/63/20/475076320.db2.gz SYYXUISOZNVNAD-HLLBOEOZSA-N 1 3 335.517 2.594 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261830806 475078239 /nfs/dbraw/zinc/07/82/39/475078239.db2.gz NDEIHXLRHKFQTN-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1Cl ZINC000261881287 475098487 /nfs/dbraw/zinc/09/84/87/475098487.db2.gz RUGDVJBAYJKXBP-ZDUSSCGKSA-N 1 3 339.867 2.609 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)C[C@@H](N)c2ccccc2)c1 ZINC000261880945 475098595 /nfs/dbraw/zinc/09/85/95/475098595.db2.gz MLLRWPFVSOISGF-GOSISDBHSA-N 1 3 327.428 2.656 20 0 EFADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC1CC[NH2+]CC1 ZINC000261907371 475108714 /nfs/dbraw/zinc/10/87/14/475108714.db2.gz ZGBNKZHUWHSQQR-FQEVSTJZSA-N 1 3 330.472 2.626 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996070 475118684 /nfs/dbraw/zinc/11/86/84/475118684.db2.gz NRRITIZUIYXCLV-XUVXKRRUSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996070 475118691 /nfs/dbraw/zinc/11/86/91/475118691.db2.gz NRRITIZUIYXCLV-XUVXKRRUSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996071 475119536 /nfs/dbraw/zinc/11/95/36/475119536.db2.gz NRRITIZUIYXCLV-ZCNNSNEGSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996071 475119541 /nfs/dbraw/zinc/11/95/41/475119541.db2.gz NRRITIZUIYXCLV-ZCNNSNEGSA-N 1 3 343.515 2.840 20 0 EFADHO C[NH2+]CCC1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000261969672 475131525 /nfs/dbraw/zinc/13/15/25/475131525.db2.gz CSNWEZXIVZEENN-UHFFFAOYSA-N 1 3 342.487 2.821 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000261991138 475139711 /nfs/dbraw/zinc/13/97/11/475139711.db2.gz MTNBYSYAOYINDH-UWJYYQICSA-N 1 3 343.515 2.527 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000269039060 475140975 /nfs/dbraw/zinc/14/09/75/475140975.db2.gz GGDJIERSJRHYFL-YJBOKZPZSA-N 1 3 338.492 2.849 20 0 EFADHO Cc1cc2cc(CN3CCCC[C@@H]3CNC(=O)CC[NH3+])oc2cc1C ZINC000262007934 475145097 /nfs/dbraw/zinc/14/50/97/475145097.db2.gz MABPGFYRERYHPK-QGZVFWFLSA-N 1 3 343.471 2.869 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000339348347 475152532 /nfs/dbraw/zinc/15/25/32/475152532.db2.gz GLZVOUSJQSSRTF-IBGZPJMESA-N 1 3 346.519 2.637 20 0 EFADHO COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C)ccc1OCCO ZINC000341570270 475154042 /nfs/dbraw/zinc/15/40/42/475154042.db2.gz DYEXFQIWLHBCAU-WBVHZDCISA-N 1 3 336.476 2.591 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)c2ccccc12 ZINC000269071804 475160188 /nfs/dbraw/zinc/16/01/88/475160188.db2.gz XFMOOBQWRGMTQT-OAHLLOKOSA-N 1 3 328.456 2.956 20 0 EFADHO C[NH+]1CCC(CNC(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000337603113 475175687 /nfs/dbraw/zinc/17/56/87/475175687.db2.gz TWHMKGJUPRAVJM-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO Fc1cc(-c2ccccc2)ccc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262117695 475176094 /nfs/dbraw/zinc/17/60/94/475176094.db2.gz LMVAKTUBAXZUOG-FQEVSTJZSA-N 1 3 339.458 2.972 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1csc2ccccc12 ZINC000262118838 475176363 /nfs/dbraw/zinc/17/63/63/475176363.db2.gz XCMGPQAPUSLZBD-HNNXBMFYSA-N 1 3 331.485 2.721 20 0 EFADHO C[C@@H](CN1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Cl)c1 ZINC000262118891 475177040 /nfs/dbraw/zinc/17/70/40/475177040.db2.gz XDNHXQXMIXLPQC-WMLDXEAASA-N 1 3 337.895 2.763 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000341605438 475180403 /nfs/dbraw/zinc/18/04/03/475180403.db2.gz KCRGZLSUKQPPKD-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO Cc1ccc(-c2ncc(CN3CC[C@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262164989 475188674 /nfs/dbraw/zinc/18/86/74/475188674.db2.gz UCLUIJGDEJNLIR-KRWDZBQOSA-N 1 3 342.512 2.598 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NCCN1CCCCC1)[NH+]1CCCC1 ZINC000339408307 475199157 /nfs/dbraw/zinc/19/91/57/475199157.db2.gz XYCUUXWDRKGCHZ-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341658705 475209426 /nfs/dbraw/zinc/20/94/26/475209426.db2.gz WMXYIXUNMCNVJZ-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341658705 475209430 /nfs/dbraw/zinc/20/94/30/475209430.db2.gz WMXYIXUNMCNVJZ-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000339436586 475216772 /nfs/dbraw/zinc/21/67/72/475216772.db2.gz JXXTUTCRTMKHLW-PKOBYXMFSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C)N1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000345487870 475217652 /nfs/dbraw/zinc/21/76/52/475217652.db2.gz XYMNMCYDSMWKRX-SQNIBIBYSA-N 1 3 338.540 2.813 20 0 EFADHO CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000339439787 475218813 /nfs/dbraw/zinc/21/88/13/475218813.db2.gz DDAVJOFVMAIAMY-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000339439790 475219772 /nfs/dbraw/zinc/21/97/72/475219772.db2.gz DDAVJOFVMAIAMY-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000262368637 475225685 /nfs/dbraw/zinc/22/56/85/475225685.db2.gz JTQUPZIARCWOBH-CAMMJAKZSA-N 1 3 329.488 2.544 20 0 EFADHO CCC[C@@H](NC(C)C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000352372043 475226266 /nfs/dbraw/zinc/22/62/66/475226266.db2.gz XXIYMLZWVPIPRZ-QGZVFWFLSA-N 1 3 348.491 2.682 20 0 EFADHO CCC[C@H](NC(C)C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000352372042 475226462 /nfs/dbraw/zinc/22/64/62/475226462.db2.gz XXIYMLZWVPIPRZ-KRWDZBQOSA-N 1 3 348.491 2.682 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262385084 475230519 /nfs/dbraw/zinc/23/05/19/475230519.db2.gz NMMZJGZUMLAWKT-XFIJJGBISA-N 1 3 341.499 2.718 20 0 EFADHO CN(C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262392179 475231586 /nfs/dbraw/zinc/23/15/86/475231586.db2.gz OINWFWWFRAPWDW-FDIDQYAWSA-N 1 3 329.488 2.559 20 0 EFADHO CN(C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262392186 475231699 /nfs/dbraw/zinc/23/16/99/475231699.db2.gz OINWFWWFRAPWDW-WHBLYCTDSA-N 1 3 329.488 2.559 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000262428905 475239332 /nfs/dbraw/zinc/23/93/32/475239332.db2.gz WEPAGNJXKVNJAH-UHFFFAOYSA-N 1 3 325.456 2.739 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000352388788 475243550 /nfs/dbraw/zinc/24/35/50/475243550.db2.gz VOWLYOIJOODQQC-CNEDASOKSA-N 1 3 346.515 2.919 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000352388790 475244405 /nfs/dbraw/zinc/24/44/05/475244405.db2.gz VOWLYOIJOODQQC-QFTJCQGQSA-N 1 3 346.515 2.919 20 0 EFADHO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000361174960 475245245 /nfs/dbraw/zinc/24/52/45/475245245.db2.gz JSZCBOOTHVZFGG-LJQANCHMSA-N 1 3 334.504 2.794 20 0 EFADHO Cn1c2ccc(CNCCCCC[NH+]3CCCCC3)cc2oc1=O ZINC000352394557 475250760 /nfs/dbraw/zinc/25/07/60/475250760.db2.gz PXZZZOSCJCQVRI-UHFFFAOYSA-N 1 3 331.460 2.877 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000361183607 475251804 /nfs/dbraw/zinc/25/18/04/475251804.db2.gz YVZVIYXLECCJDT-LJQANCHMSA-N 1 3 342.487 2.570 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]12 ZINC000262537495 475258250 /nfs/dbraw/zinc/25/82/50/475258250.db2.gz QOMXJQNADXNBCU-COPLHBTASA-N 1 3 342.270 2.991 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000339503262 475258605 /nfs/dbraw/zinc/25/86/05/475258605.db2.gz GTHZKHXHZVWPSG-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000357923691 475266085 /nfs/dbraw/zinc/26/60/85/475266085.db2.gz UHBRSHDSNITUHM-SJORKVTESA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000357923691 475266093 /nfs/dbraw/zinc/26/60/93/475266093.db2.gz UHBRSHDSNITUHM-SJORKVTESA-N 1 3 334.508 2.535 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000341757493 475278650 /nfs/dbraw/zinc/27/86/50/475278650.db2.gz KNPTYGWPNOCJHN-BRWVUGGUSA-N 1 3 330.538 2.586 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000296361870 475282714 /nfs/dbraw/zinc/28/27/14/475282714.db2.gz JOGLDURYSYCFDQ-CRAIPNDOSA-N 1 3 335.492 2.582 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000296403076 475299156 /nfs/dbraw/zinc/29/91/56/475299156.db2.gz LPDAFTUPCKDDHX-IAGOWNOFSA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000296403076 475299167 /nfs/dbraw/zinc/29/91/67/475299167.db2.gz LPDAFTUPCKDDHX-IAGOWNOFSA-N 1 3 348.487 2.729 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000296409890 475303557 /nfs/dbraw/zinc/30/35/57/475303557.db2.gz LYGXSTLNYJRSIA-QFBILLFUSA-N 1 3 333.545 2.665 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000358008414 475330887 /nfs/dbraw/zinc/33/08/87/475330887.db2.gz VJWORLBYAHCFBO-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000358008414 475330893 /nfs/dbraw/zinc/33/08/93/475330893.db2.gz VJWORLBYAHCFBO-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CN1CCC2(CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000352484334 475337186 /nfs/dbraw/zinc/33/71/86/475337186.db2.gz NUHFPCYWJOYPHD-UHFFFAOYSA-N 1 3 348.535 2.663 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NC1CCN(C2CC2)CC1)CC(C)C ZINC000339605618 475343372 /nfs/dbraw/zinc/34/33/72/475343372.db2.gz VKNUFCYZOURDJF-SFHVURJKSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C[C@H](C)O1 ZINC000358028440 475345034 /nfs/dbraw/zinc/34/50/34/475345034.db2.gz XPDPSSPPSHWHRF-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000358028440 475345044 /nfs/dbraw/zinc/34/50/44/475345044.db2.gz XPDPSSPPSHWHRF-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000358028440 475345050 /nfs/dbraw/zinc/34/50/50/475345050.db2.gz XPDPSSPPSHWHRF-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H](CCN(C)CC[N@H+](C)C1CCN(C)CC1)OCc1ccccc1 ZINC000354715676 475355766 /nfs/dbraw/zinc/35/57/66/475355766.db2.gz RNBAUWHTIWJXHC-LJQANCHMSA-N 1 3 347.547 2.940 20 0 EFADHO C[C@H](CCN(C)CC[N@@H+](C)C1CCN(C)CC1)OCc1ccccc1 ZINC000354715676 475355774 /nfs/dbraw/zinc/35/57/74/475355774.db2.gz RNBAUWHTIWJXHC-LJQANCHMSA-N 1 3 347.547 2.940 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000352502943 475358943 /nfs/dbraw/zinc/35/89/43/475358943.db2.gz AJRHRLKZHVSZRN-HKUYNNGSSA-N 1 3 329.488 2.774 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345682102 475361586 /nfs/dbraw/zinc/36/15/86/475361586.db2.gz ATCXXEMBWUHMNX-CJNGLKHVSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345682102 475361594 /nfs/dbraw/zinc/36/15/94/475361594.db2.gz ATCXXEMBWUHMNX-CJNGLKHVSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345682104 475362003 /nfs/dbraw/zinc/36/20/03/475362003.db2.gz ATCXXEMBWUHMNX-XJKSGUPXSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000345682104 475362010 /nfs/dbraw/zinc/36/20/10/475362010.db2.gz ATCXXEMBWUHMNX-XJKSGUPXSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C[C@H](C)O1 ZINC000348064657 475371522 /nfs/dbraw/zinc/37/15/22/475371522.db2.gz PLIBBLMIPRQASF-BARDWOONSA-N 1 3 338.414 2.575 20 0 EFADHO CCc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361347320 475374653 /nfs/dbraw/zinc/37/46/53/475374653.db2.gz UMIRIHMVGUZMSG-CQSZACIVSA-N 1 3 337.533 2.904 20 0 EFADHO Cc1cc(C)cc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361347725 475374812 /nfs/dbraw/zinc/37/48/12/475374812.db2.gz YCXYVHSPVDDHMC-KRWDZBQOSA-N 1 3 331.504 2.897 20 0 EFADHO Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000361350937 475377258 /nfs/dbraw/zinc/37/72/58/475377258.db2.gz JAPBNVQJBDRWES-QGZVFWFLSA-N 1 3 331.504 2.897 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H](N)CC(F)F)cc2)CC1 ZINC000345699748 475377449 /nfs/dbraw/zinc/37/74/49/475377449.db2.gz UQGCWTMBEBGHEC-OAHLLOKOSA-N 1 3 325.403 2.840 20 0 EFADHO CC1CC[NH+]([C@H](CNC(=O)[C@@H](N)CC(F)F)c2ccccc2)CC1 ZINC000345704644 475380090 /nfs/dbraw/zinc/38/00/90/475380090.db2.gz FHDZLLFMLOJPRZ-JKSUJKDBSA-N 1 3 339.430 2.558 20 0 EFADHO Cc1ccc(C)c([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361355176 475381244 /nfs/dbraw/zinc/38/12/44/475381244.db2.gz ZDFHVOKWTWKEPF-KRWDZBQOSA-N 1 3 331.504 2.897 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)CC(F)F)CCCC1)c1ccccc1 ZINC000345718619 475390860 /nfs/dbraw/zinc/39/08/60/475390860.db2.gz SVPNQILAMIUSKG-ZFWWWQNUSA-N 1 3 339.430 2.749 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000358097070 475396464 /nfs/dbraw/zinc/39/64/64/475396464.db2.gz MTVLJUWJJKIQEU-HGTKMLMNSA-N 1 3 335.879 2.764 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000358097076 475396524 /nfs/dbraw/zinc/39/65/24/475396524.db2.gz MTVLJUWJJKIQEU-NYTXWWLZSA-N 1 3 335.879 2.764 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358098048 475396731 /nfs/dbraw/zinc/39/67/31/475396731.db2.gz OMQIXBFFBINZCI-FUHWJXTLSA-N 1 3 336.524 2.591 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358098048 475396739 /nfs/dbraw/zinc/39/67/39/475396739.db2.gz OMQIXBFFBINZCI-FUHWJXTLSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000345725289 475398056 /nfs/dbraw/zinc/39/80/56/475398056.db2.gz KHLQXKHLCIRLED-XYJFISCASA-N 1 3 346.519 2.898 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358100091 475399183 /nfs/dbraw/zinc/39/91/83/475399183.db2.gz XBKQGUGZFYKGOF-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358100091 475399190 /nfs/dbraw/zinc/39/91/90/475399190.db2.gz XBKQGUGZFYKGOF-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO CC[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000345730237 475401441 /nfs/dbraw/zinc/40/14/41/475401441.db2.gz XBIMMTZCVVSFLC-SFHLNBCPSA-N 1 3 343.515 2.847 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358153593 475445045 /nfs/dbraw/zinc/44/50/45/475445045.db2.gz DIXIWQJQDNIMHU-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358153593 475445053 /nfs/dbraw/zinc/44/50/53/475445053.db2.gz DIXIWQJQDNIMHU-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)N1CCC(C)CC1 ZINC000341954733 475446272 /nfs/dbraw/zinc/44/62/72/475446272.db2.gz MANMFKAEFCFOGM-DLBZAZTESA-N 1 3 340.556 2.772 20 0 EFADHO CC(C)[NH+](CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341962361 475453511 /nfs/dbraw/zinc/45/35/11/475453511.db2.gz QCELBBGCJDNNPT-GOSISDBHSA-N 1 3 348.535 2.925 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000339748122 475466605 /nfs/dbraw/zinc/46/66/05/475466605.db2.gz NENOERREAFFESU-ZHALLVOQSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000354874129 475481163 /nfs/dbraw/zinc/48/11/63/475481163.db2.gz HURBOMKJFMBQOU-KRWDZBQOSA-N 1 3 326.529 2.669 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000352643648 475485953 /nfs/dbraw/zinc/48/59/53/475485953.db2.gz BIACOLNQVNTKLK-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)C(C)C ZINC000352643648 475485958 /nfs/dbraw/zinc/48/59/58/475485958.db2.gz BIACOLNQVNTKLK-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000352643647 475486952 /nfs/dbraw/zinc/48/69/52/475486952.db2.gz BIACOLNQVNTKLK-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)C(C)C ZINC000352643647 475486957 /nfs/dbraw/zinc/48/69/57/475486957.db2.gz BIACOLNQVNTKLK-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000337993758 475489379 /nfs/dbraw/zinc/48/93/79/475489379.db2.gz SXHZUXDRJMTUKT-HUUCEWRRSA-N 1 3 326.431 2.722 20 0 EFADHO CC[NH+](CC)CCOC1CCN(CCc2csc(C)n2)CC1 ZINC000348210899 475490224 /nfs/dbraw/zinc/49/02/24/475490224.db2.gz ONBNENMVWWUTNF-UHFFFAOYSA-N 1 3 325.522 2.817 20 0 EFADHO C[C@@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345834710 475492129 /nfs/dbraw/zinc/49/21/29/475492129.db2.gz KJKUDQGUAAAANV-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CCCCC2)cc1)C1CC1 ZINC000338002882 475497807 /nfs/dbraw/zinc/49/78/07/475497807.db2.gz SJMFHFZQJDKCCW-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CCCCC2)cc1)C1CC1 ZINC000338002882 475497818 /nfs/dbraw/zinc/49/78/18/475497818.db2.gz SJMFHFZQJDKCCW-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000338011873 475505461 /nfs/dbraw/zinc/50/54/61/475505461.db2.gz IYYDQQIJDFHDOI-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000338013698 475506974 /nfs/dbraw/zinc/50/69/74/475506974.db2.gz GHMWTLKCIINJFN-AFYVEPGGSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000338013698 475506983 /nfs/dbraw/zinc/50/69/83/475506983.db2.gz GHMWTLKCIINJFN-AFYVEPGGSA-N 1 3 341.499 2.783 20 0 EFADHO CCN1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000338025646 475518634 /nfs/dbraw/zinc/51/86/34/475518634.db2.gz ILPMWRWBHIIRTE-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC(NC(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000338025646 475518639 /nfs/dbraw/zinc/51/86/39/475518639.db2.gz ILPMWRWBHIIRTE-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H](CN1CCC[C@H]1[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041770 475525754 /nfs/dbraw/zinc/52/57/54/475525754.db2.gz XPWGQCHMNJCHMU-YCKXBTPASA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342041770 475525745 /nfs/dbraw/zinc/52/57/45/475525745.db2.gz XPWGQCHMNJCHMU-YCKXBTPASA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342041770 475525752 /nfs/dbraw/zinc/52/57/52/475525752.db2.gz XPWGQCHMNJCHMU-YCKXBTPASA-N 1 3 336.520 2.909 20 0 EFADHO C[C@H](CN1CCC[C@H]1[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041770 475525761 /nfs/dbraw/zinc/52/57/61/475525761.db2.gz XPWGQCHMNJCHMU-YCKXBTPASA-N 1 3 336.520 2.909 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000348256770 475532578 /nfs/dbraw/zinc/53/25/78/475532578.db2.gz NMKMQHULFBRRLM-FUHWJXTLSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@@H]1C ZINC000348256770 475532586 /nfs/dbraw/zinc/53/25/86/475532586.db2.gz NMKMQHULFBRRLM-FUHWJXTLSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000348256769 475533107 /nfs/dbraw/zinc/53/31/07/475533107.db2.gz NMKMQHULFBRRLM-AEFFLSMTSA-N 1 3 329.488 2.770 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3ccccc32)C[C@H]1C ZINC000348256769 475533116 /nfs/dbraw/zinc/53/31/16/475533116.db2.gz NMKMQHULFBRRLM-AEFFLSMTSA-N 1 3 329.488 2.770 20 0 EFADHO CN1CCC(N2CCC([NH2+]C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000348270367 475546672 /nfs/dbraw/zinc/54/66/72/475546672.db2.gz XTVQWGBTCQJCMX-RXVVDRJESA-N 1 3 327.516 2.938 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCCN1C ZINC000361563233 475550984 /nfs/dbraw/zinc/55/09/84/475550984.db2.gz JTPGNMFKZAUDPL-IAGOWNOFSA-N 1 3 338.540 2.813 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000348274649 475552729 /nfs/dbraw/zinc/55/27/29/475552729.db2.gz BLPGUKBZVAJUAB-ILXRZTDVSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000348274649 475552734 /nfs/dbraw/zinc/55/27/34/475552734.db2.gz BLPGUKBZVAJUAB-ILXRZTDVSA-N 1 3 347.425 2.536 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1)C1CC1 ZINC000338060198 475556106 /nfs/dbraw/zinc/55/61/06/475556106.db2.gz OCAKUOOFWSUORI-LJQANCHMSA-N 1 3 329.488 2.741 20 0 EFADHO COC1(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCCCC1 ZINC000361578777 475564550 /nfs/dbraw/zinc/56/45/50/475564550.db2.gz PWOAFTVEQMDEAJ-UHFFFAOYSA-N 1 3 337.552 2.826 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000338075539 475567873 /nfs/dbraw/zinc/56/78/73/475567873.db2.gz BKDWMNNXYLTHCI-QGZVFWFLSA-N 1 3 327.472 2.637 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1)C1CC1 ZINC000338075539 475567878 /nfs/dbraw/zinc/56/78/78/475567878.db2.gz BKDWMNNXYLTHCI-QGZVFWFLSA-N 1 3 327.472 2.637 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342171086 475569736 /nfs/dbraw/zinc/56/97/36/475569736.db2.gz ZJCXEJTZCGLUEC-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342171086 475569746 /nfs/dbraw/zinc/56/97/46/475569746.db2.gz ZJCXEJTZCGLUEC-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000354991696 475583512 /nfs/dbraw/zinc/58/35/12/475583512.db2.gz FWOIIBXSSBLTPX-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000354991696 475583518 /nfs/dbraw/zinc/58/35/18/475583518.db2.gz FWOIIBXSSBLTPX-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352767796 475603007 /nfs/dbraw/zinc/60/30/07/475603007.db2.gz GFOXKIYQPPFNRD-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352767796 475603015 /nfs/dbraw/zinc/60/30/15/475603015.db2.gz GFOXKIYQPPFNRD-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1CN(CCCOc2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355028979 475608321 /nfs/dbraw/zinc/60/83/21/475608321.db2.gz IGNZNXPTXDVXDD-SFHVURJKSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]1CN(CCCOc2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000355028979 475608330 /nfs/dbraw/zinc/60/83/30/475608330.db2.gz IGNZNXPTXDVXDD-SFHVURJKSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]1CN(CCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355028979 475608334 /nfs/dbraw/zinc/60/83/34/475608334.db2.gz IGNZNXPTXDVXDD-SFHVURJKSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000346496956 475612430 /nfs/dbraw/zinc/61/24/30/475612430.db2.gz WQEXWHJLRGYEAO-PZJWPPBQSA-N 1 3 345.531 2.742 20 0 EFADHO Cc1cnc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)nc1 ZINC000358367741 475622628 /nfs/dbraw/zinc/62/26/28/475622628.db2.gz KXXCNWDZQWADKX-MRXNPFEDSA-N 1 3 328.460 2.619 20 0 EFADHO O=C([C@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000342709451 475630428 /nfs/dbraw/zinc/63/04/28/475630428.db2.gz OKWOJBOSWUEUMY-FPOVZHCZSA-N 1 3 341.499 2.501 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c2ccccc2)CC1 ZINC000342718807 475631456 /nfs/dbraw/zinc/63/14/56/475631456.db2.gz FROYNVVSTBAUPH-MISYRCLQSA-N 1 3 343.515 2.964 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+](CC)CC)N(C)C)cc1 ZINC000339948630 475633568 /nfs/dbraw/zinc/63/35/68/475633568.db2.gz ZNYBZFOXCHSEOH-VQIMIIECSA-N 1 3 348.535 2.881 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12CCC2 ZINC000355068518 475640780 /nfs/dbraw/zinc/64/07/80/475640780.db2.gz ZHHNIHCDBPANHV-IEBWSBKVSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC12CCC2 ZINC000355068519 475641866 /nfs/dbraw/zinc/64/18/66/475641866.db2.gz ZHHNIHCDBPANHV-MJGOQNOKSA-N 1 3 343.515 2.918 20 0 EFADHO CCc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000352814031 475647569 /nfs/dbraw/zinc/64/75/69/475647569.db2.gz JYSMAIYQRBNTRJ-UHFFFAOYSA-N 1 3 338.499 2.681 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000346548331 475648344 /nfs/dbraw/zinc/64/83/44/475648344.db2.gz AUTGBKOMINWLFZ-FUHWJXTLSA-N 1 3 344.503 2.869 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000358411730 475657577 /nfs/dbraw/zinc/65/75/77/475657577.db2.gz PZLKTXWQTKFFGL-ZWKOTPCHSA-N 1 3 335.492 2.581 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000358411726 475658575 /nfs/dbraw/zinc/65/85/75/475658575.db2.gz PZLKTXWQTKFFGL-QZTJIDSGSA-N 1 3 335.492 2.581 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346575673 475670260 /nfs/dbraw/zinc/67/02/60/475670260.db2.gz USZITZKHLXCOTI-IBGZPJMESA-N 1 3 344.503 2.631 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H]1C ZINC000358428271 475671619 /nfs/dbraw/zinc/67/16/19/475671619.db2.gz DBMXUBHQMJUTKV-JYBIWHBTSA-N 1 3 345.531 2.690 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000361710262 475687501 /nfs/dbraw/zinc/68/75/01/475687501.db2.gz GXIHZNDRIHLBBG-IBGZPJMESA-N 1 3 331.504 2.730 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@@H](C)C1 ZINC000346628245 475714125 /nfs/dbraw/zinc/71/41/25/475714125.db2.gz DVRLBXMDUAYIBF-GJYPPUQNSA-N 1 3 331.504 2.892 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C[C@@H]1C ZINC000361753061 475721915 /nfs/dbraw/zinc/72/19/15/475721915.db2.gz GHLFTNLWQLFLFW-OWSLCNJRSA-N 1 3 338.540 2.764 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)C[C@@H]1C ZINC000361753061 475721922 /nfs/dbraw/zinc/72/19/22/475721922.db2.gz GHLFTNLWQLFLFW-OWSLCNJRSA-N 1 3 338.540 2.764 20 0 EFADHO CCCN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000343057683 475728154 /nfs/dbraw/zinc/72/81/54/475728154.db2.gz GQSHQJMVLLPXPN-UHFFFAOYSA-N 1 3 331.460 2.908 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000338282567 475745515 /nfs/dbraw/zinc/74/55/15/475745515.db2.gz KBAACEIMDXHACW-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO Cn1cc(CN2CCC(OCCC[NH3+])CC2)c(C2CCCCC2)n1 ZINC000346671804 475750210 /nfs/dbraw/zinc/75/02/10/475750210.db2.gz HFSUZOOXTIXEBZ-UHFFFAOYSA-N 1 3 334.508 2.798 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000353189058 475756089 /nfs/dbraw/zinc/75/60/89/475756089.db2.gz VWIPEGFKCQJIBX-RLFYNMQTSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000353189058 475756096 /nfs/dbraw/zinc/75/60/96/475756096.db2.gz VWIPEGFKCQJIBX-RLFYNMQTSA-N 1 3 333.476 2.719 20 0 EFADHO CSC1(CNCc2ccnn2-c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000353196953 475761977 /nfs/dbraw/zinc/76/19/77/475761977.db2.gz VREXEPINMBPWIX-UHFFFAOYSA-N 1 3 348.491 2.928 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000348571340 475764571 /nfs/dbraw/zinc/76/45/71/475764571.db2.gz RWXMVGKKUMMDLL-SFHVURJKSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000348571340 475764576 /nfs/dbraw/zinc/76/45/76/475764576.db2.gz RWXMVGKKUMMDLL-SFHVURJKSA-N 1 3 338.540 2.815 20 0 EFADHO CCOCc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000346689526 475766035 /nfs/dbraw/zinc/76/60/35/475766035.db2.gz ZISRNIKFCZGINB-UHFFFAOYSA-N 1 3 336.476 2.562 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000340120035 475773639 /nfs/dbraw/zinc/77/36/39/475773639.db2.gz DUJVKLNWWLRXTO-SXLOBPIMSA-N 1 3 343.515 2.703 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000348618710 475781327 /nfs/dbraw/zinc/78/13/27/475781327.db2.gz ALEKQXNNMJEBKP-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)N(C)Cc1ccccc1 ZINC000348618710 475781336 /nfs/dbraw/zinc/78/13/36/475781336.db2.gz ALEKQXNNMJEBKP-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348628740 475784043 /nfs/dbraw/zinc/78/40/43/475784043.db2.gz VHMIEKBITCIXCV-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000348628740 475784052 /nfs/dbraw/zinc/78/40/52/475784052.db2.gz VHMIEKBITCIXCV-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000355269269 475789519 /nfs/dbraw/zinc/78/95/19/475789519.db2.gz CDWXXBVRDJPZPL-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361876313 475829541 /nfs/dbraw/zinc/82/95/41/475829541.db2.gz DUBGRYMJEHWMAD-MRXNPFEDSA-N 1 3 325.456 2.856 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc4c3OCCCO4)CC2)C1 ZINC000333106724 475839846 /nfs/dbraw/zinc/83/98/46/475839846.db2.gz FTUXPNQBGJWUHA-HKUYNNGSSA-N 1 3 346.471 2.566 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000348744275 475844235 /nfs/dbraw/zinc/84/42/35/475844235.db2.gz BGMOOLDKFUBCBQ-FQEVSTJZSA-N 1 3 348.487 2.574 20 0 EFADHO CN(CCNC(=O)NCC1(C[NH+](C)C)CCCC1)Cc1ccccc1 ZINC000353293417 475845151 /nfs/dbraw/zinc/84/51/51/475845151.db2.gz OCYOPXQOKAIVCZ-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000340195266 475846352 /nfs/dbraw/zinc/84/63/52/475846352.db2.gz JJJGBAZOQVHGBP-FXAWDEMLSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]1 ZINC000358680819 475855548 /nfs/dbraw/zinc/85/55/48/475855548.db2.gz BYEXEVWHHIBWFC-SJORKVTESA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CCN(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000358686397 475859707 /nfs/dbraw/zinc/85/97/07/475859707.db2.gz HSHRTJZHBDSATK-OALUTQOASA-N 1 3 345.531 2.944 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc4ccccc4c3)CC2)C1 ZINC000333199815 475866596 /nfs/dbraw/zinc/86/65/96/475866596.db2.gz XJBYBGSSDKTFJA-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333210483 475870295 /nfs/dbraw/zinc/87/02/95/475870295.db2.gz ZPCUISGCDWMWRR-MJGOQNOKSA-N 1 3 348.535 2.973 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000333208003 475870403 /nfs/dbraw/zinc/87/04/03/475870403.db2.gz ZDXHQFBBXASBPA-PKOBYXMFSA-N 1 3 341.455 2.659 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000353326938 475873293 /nfs/dbraw/zinc/87/32/93/475873293.db2.gz ARDGGKHXHUZCPJ-JXAWBTAJSA-N 1 3 345.531 2.852 20 0 EFADHO CC(C)(C)[NH+]1CCC(N[C@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000358713404 475877483 /nfs/dbraw/zinc/87/74/83/475877483.db2.gz KKVJZMXAUWIRGA-KRWDZBQOSA-N 1 3 329.488 2.924 20 0 EFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000346819352 475884869 /nfs/dbraw/zinc/88/48/69/475884869.db2.gz BGOCCLBSSBUQQN-SJLPKXTDSA-N 1 3 349.906 2.729 20 0 EFADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000333295326 475897195 /nfs/dbraw/zinc/89/71/95/475897195.db2.gz PFVJBWNYGNXVNF-LTIDMASMSA-N 1 3 331.508 2.617 20 0 EFADHO OCC1CCN(Cc2ccccc2NC2CC[NH+](C3CC3)CC2)CC1 ZINC000297835049 475901416 /nfs/dbraw/zinc/90/14/16/475901416.db2.gz NPJDIMWWINSHRD-UHFFFAOYSA-N 1 3 343.515 2.930 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000349107299 475904687 /nfs/dbraw/zinc/90/46/87/475904687.db2.gz KDFKXSWXCFUXQM-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CCCCC1 ZINC000349107299 475904692 /nfs/dbraw/zinc/90/46/92/475904692.db2.gz KDFKXSWXCFUXQM-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000355408912 475910528 /nfs/dbraw/zinc/91/05/28/475910528.db2.gz KZECJXIYGZYXQK-SCTDSRPQSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)no1 ZINC000346853050 475913414 /nfs/dbraw/zinc/91/34/14/475913414.db2.gz LRSNCAKVMVCKMN-CGTJXYLNSA-N 1 3 342.443 2.516 20 0 EFADHO OCCN(CCC[N@H+](CCO)C1CCCCC1)C1CCCCC1 ZINC000343278155 475913440 /nfs/dbraw/zinc/91/34/40/475913440.db2.gz UEBMXLCVFQLSDF-UHFFFAOYSA-N 1 3 326.525 2.631 20 0 EFADHO OCCN(CCC[N@@H+](CCO)C1CCCCC1)C1CCCCC1 ZINC000343278155 475913446 /nfs/dbraw/zinc/91/34/46/475913446.db2.gz UEBMXLCVFQLSDF-UHFFFAOYSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000297877858 475914021 /nfs/dbraw/zinc/91/40/21/475914021.db2.gz UWZHQBIWQLUADI-INIZCTEOSA-N 1 3 341.455 2.981 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)no1 ZINC000346853059 475914652 /nfs/dbraw/zinc/91/46/52/475914652.db2.gz LRSNCAKVMVCKMN-RYQLBKOJSA-N 1 3 342.443 2.516 20 0 EFADHO C[N@@H+]1CC[C@@H](NCc2ccc(OCCO)cc2)C[C@H]1c1ccccc1 ZINC000340283906 475915650 /nfs/dbraw/zinc/91/56/50/475915650.db2.gz CQDLXUMSTAAVDB-CTNGQTDRSA-N 1 3 340.467 2.983 20 0 EFADHO C[N@H+]1CC[C@@H](NCc2ccc(OCCO)cc2)C[C@H]1c1ccccc1 ZINC000340283906 475915659 /nfs/dbraw/zinc/91/56/59/475915659.db2.gz CQDLXUMSTAAVDB-CTNGQTDRSA-N 1 3 340.467 2.983 20 0 EFADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H]2CCC[C@H]21 ZINC000353403044 475941242 /nfs/dbraw/zinc/94/12/42/475941242.db2.gz LHEOFXYZKXHYSI-TXCZRRACSA-N 1 3 347.890 2.908 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C12CCCCC2 ZINC000362033254 475952029 /nfs/dbraw/zinc/95/20/29/475952029.db2.gz SXKQRNLWWOCAOR-YSIASYRMSA-N 1 3 349.563 2.872 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353432523 475961084 /nfs/dbraw/zinc/96/10/84/475961084.db2.gz SJKUTDONBZXSMT-PMACEKPBSA-N 1 3 343.515 2.923 20 0 EFADHO CC[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)N1CCc2ccccc2C1 ZINC000353432323 475961400 /nfs/dbraw/zinc/96/14/00/475961400.db2.gz SALWLYHTMBGNML-AABGKKOBSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000298044640 475963449 /nfs/dbraw/zinc/96/34/49/475963449.db2.gz NQNWKIVQZDPACF-QZTJIDSGSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358819570 475964988 /nfs/dbraw/zinc/96/49/88/475964988.db2.gz FOOAYNMTORDLJJ-HKUYNNGSSA-N 1 3 333.545 2.678 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000358819570 475964994 /nfs/dbraw/zinc/96/49/94/475964994.db2.gz FOOAYNMTORDLJJ-HKUYNNGSSA-N 1 3 333.545 2.678 20 0 EFADHO CCC(CC)(CNC(=O)C(N)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000353451934 475979784 /nfs/dbraw/zinc/97/97/84/475979784.db2.gz PXZYWEIPGGKBHZ-TZMCWYRMSA-N 1 3 345.409 2.902 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCN(C2CC2)C1)[NH+](C)C ZINC000353457113 475985348 /nfs/dbraw/zinc/98/53/48/475985348.db2.gz QQYWXZYLAZCQBL-MDZRGWNJSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCCO1 ZINC000340371159 475986134 /nfs/dbraw/zinc/98/61/34/475986134.db2.gz PUXZCOQHCPUBIA-HMXCVIKNSA-N 1 3 345.531 2.912 20 0 EFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353463035 475989225 /nfs/dbraw/zinc/98/92/25/475989225.db2.gz UZQWZWPFNRYFBE-XUVXKRRUSA-N 1 3 341.499 2.575 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1CC ZINC000349715934 475989496 /nfs/dbraw/zinc/98/94/96/475989496.db2.gz QGGTVMRGTVIVNO-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000353465092 475992943 /nfs/dbraw/zinc/99/29/43/475992943.db2.gz ZKAMQLONMDUVDN-AABGKKOBSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358858362 475993405 /nfs/dbraw/zinc/99/34/05/475993405.db2.gz QWPCXXVDLAQILD-JTDSTZFVSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358858362 475993415 /nfs/dbraw/zinc/99/34/15/475993415.db2.gz QWPCXXVDLAQILD-JTDSTZFVSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000298136133 475993663 /nfs/dbraw/zinc/99/36/63/475993663.db2.gz ZAASKXVTJWKHHH-RMPXNZIMSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000298136133 475993665 /nfs/dbraw/zinc/99/36/65/475993665.db2.gz ZAASKXVTJWKHHH-RMPXNZIMSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000298136131 475994249 /nfs/dbraw/zinc/99/42/49/475994249.db2.gz ZAASKXVTJWKHHH-IPFAQRCESA-N 1 3 344.503 2.602 20 0 EFADHO C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000298136131 475994255 /nfs/dbraw/zinc/99/42/55/475994255.db2.gz ZAASKXVTJWKHHH-IPFAQRCESA-N 1 3 344.503 2.602 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343369145 475994232 /nfs/dbraw/zinc/99/42/32/475994232.db2.gz KPXAMNPJDMZENL-JPLJXNOCSA-N 1 3 348.535 2.988 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358860336 475994414 /nfs/dbraw/zinc/99/44/14/475994414.db2.gz UIBIYALJZVLOTD-CRAIPNDOSA-N 1 3 335.467 2.639 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358860336 475994422 /nfs/dbraw/zinc/99/44/22/475994422.db2.gz UIBIYALJZVLOTD-CRAIPNDOSA-N 1 3 335.467 2.639 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000353472534 475997917 /nfs/dbraw/zinc/99/79/17/475997917.db2.gz PWSYNPSGGIXQLV-QUCCMNQESA-N 1 3 331.504 2.703 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358866372 475999291 /nfs/dbraw/zinc/99/92/91/475999291.db2.gz QSZUFFJGDQVIHL-DAYGRLMNSA-N 1 3 349.494 2.741 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358866372 475999298 /nfs/dbraw/zinc/99/92/98/475999298.db2.gz QSZUFFJGDQVIHL-DAYGRLMNSA-N 1 3 349.494 2.741 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000355526668 476008349 /nfs/dbraw/zinc/00/83/49/476008349.db2.gz LBOBDWPFMHQRLC-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCN(C)Cc1ccccc1 ZINC000355526668 476008353 /nfs/dbraw/zinc/00/83/53/476008353.db2.gz LBOBDWPFMHQRLC-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353483693 476009450 /nfs/dbraw/zinc/00/94/50/476009450.db2.gz PBZMOVCPPHAVTR-LAQRGFTBSA-N 1 3 349.544 2.881 20 0 EFADHO C[C@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)N(C)Cc1ccccc1 ZINC000358889488 476016400 /nfs/dbraw/zinc/01/64/00/476016400.db2.gz UZEHDOFJYCMTMT-DNVCBOLYSA-N 1 3 343.446 2.505 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[NH2+]C2CCN(CC3CC3)CC2)CCO1 ZINC000298252872 476034277 /nfs/dbraw/zinc/03/42/77/476034277.db2.gz DQCLBDHGDFGPIU-QGZVFWFLSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000298291128 476046248 /nfs/dbraw/zinc/04/62/48/476046248.db2.gz CSLRDLXACUVFQU-GXTWGEPZSA-N 1 3 332.366 2.693 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(OCC[NH+](C)C)CC1 ZINC000353525162 476046594 /nfs/dbraw/zinc/04/65/94/476046594.db2.gz FWXJFAPPQJFDQC-UHFFFAOYSA-N 1 3 336.524 2.798 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000353528107 476048829 /nfs/dbraw/zinc/04/88/29/476048829.db2.gz NCDUGERVYDWDBL-UHFFFAOYSA-N 1 3 332.448 2.521 20 0 EFADHO CC1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000347038562 476052440 /nfs/dbraw/zinc/05/24/40/476052440.db2.gz HDSGCHVTABVWFM-GOSISDBHSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCCN1C ZINC000343441150 476067089 /nfs/dbraw/zinc/06/70/89/476067089.db2.gz BVLKCCQFCNCSQG-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000353555078 476072928 /nfs/dbraw/zinc/07/29/28/476072928.db2.gz YSXXBCQQIOTSMQ-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000356223029 476091908 /nfs/dbraw/zinc/09/19/08/476091908.db2.gz MGAUGNHLLKNSEX-SQNIBIBYSA-N 1 3 336.524 2.519 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000356243483 476093544 /nfs/dbraw/zinc/09/35/44/476093544.db2.gz MXZVKZAGJSSRCQ-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000356243483 476093549 /nfs/dbraw/zinc/09/35/49/476093549.db2.gz MXZVKZAGJSSRCQ-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706419 476103443 /nfs/dbraw/zinc/10/34/43/476103443.db2.gz ACENBBBJAUZRFT-FOIQADDNSA-N 1 3 331.479 2.913 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C1CCN(C)CC1 ZINC000343706419 476103446 /nfs/dbraw/zinc/10/34/46/476103446.db2.gz ACENBBBJAUZRFT-FOIQADDNSA-N 1 3 331.479 2.913 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000350261179 476110327 /nfs/dbraw/zinc/11/03/27/476110327.db2.gz FSGWSYFQEVIUCM-UHFFFAOYSA-N 1 3 342.867 2.559 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[NH+](CC)CC ZINC000343844300 476124624 /nfs/dbraw/zinc/12/46/24/476124624.db2.gz WLYSYXCCVAEMTG-BHIYHBOVSA-N 1 3 331.504 2.886 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2csc(C)n2)[C@H](C)C1 ZINC000347143251 476124869 /nfs/dbraw/zinc/12/48/69/476124869.db2.gz JANSYRLVXOLVST-RHSMWYFYSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2csc(C)n2)[C@H](C)C1 ZINC000347143251 476124875 /nfs/dbraw/zinc/12/48/75/476124875.db2.gz JANSYRLVXOLVST-RHSMWYFYSA-N 1 3 325.522 2.721 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000336712365 476127192 /nfs/dbraw/zinc/12/71/92/476127192.db2.gz NTLJOQDUWKAJFV-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000336712365 476127195 /nfs/dbraw/zinc/12/71/95/476127195.db2.gz NTLJOQDUWKAJFV-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336795953 476131981 /nfs/dbraw/zinc/13/19/81/476131981.db2.gz OLDGBPLZRHLALS-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336793623 476132606 /nfs/dbraw/zinc/13/26/06/476132606.db2.gz XPLREGPDJYAEDV-SLFFLAALSA-N 1 3 346.515 2.616 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336793623 476132613 /nfs/dbraw/zinc/13/26/13/476132613.db2.gz XPLREGPDJYAEDV-SLFFLAALSA-N 1 3 346.515 2.616 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCC(=O)Nc2ccccc2C)C1 ZINC000350325714 476136782 /nfs/dbraw/zinc/13/67/82/476136782.db2.gz JGKVNVDSEBBGKY-GOSISDBHSA-N 1 3 347.503 2.756 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000359040452 476137316 /nfs/dbraw/zinc/13/73/16/476137316.db2.gz VPJNHCZDMYKKBG-MFNGEMCRSA-N 1 3 333.442 2.722 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757153 476161824 /nfs/dbraw/zinc/16/18/24/476161824.db2.gz OOSPEOSHVSTGEK-JKIFEVAISA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757153 476161833 /nfs/dbraw/zinc/16/18/33/476161833.db2.gz OOSPEOSHVSTGEK-JKIFEVAISA-N 1 3 337.895 2.932 20 0 EFADHO CCCCNC(=O)CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000357025665 476166197 /nfs/dbraw/zinc/16/61/97/476166197.db2.gz PGMOBPNWXPPGOU-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO CCCCNC(=O)CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000357025665 476166203 /nfs/dbraw/zinc/16/62/03/476166203.db2.gz PGMOBPNWXPPGOU-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO Cc1ccc(CCC[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cn1 ZINC000353660367 476166249 /nfs/dbraw/zinc/16/62/49/476166249.db2.gz STEMTTTWOXHQAC-UHFFFAOYSA-N 1 3 344.547 2.813 20 0 EFADHO CC[N@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000338766968 476170043 /nfs/dbraw/zinc/17/00/43/476170043.db2.gz OKBJRMGWWSDGPH-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CC[N@@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C(C)C ZINC000338766968 476170052 /nfs/dbraw/zinc/17/00/52/476170052.db2.gz OKBJRMGWWSDGPH-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CCC[C@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353667942 476172000 /nfs/dbraw/zinc/17/20/00/476172000.db2.gz LBVPLDRISZFTLD-KRWDZBQOSA-N 1 3 346.475 2.567 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC2CCC([NH+](C)C)CC2)cc1 ZINC000353668752 476172928 /nfs/dbraw/zinc/17/29/28/476172928.db2.gz AJZFHIUQFRJAAC-GTPINHCMSA-N 1 3 338.517 2.620 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCC(N(C)C)CC2)cc1 ZINC000353668752 476172936 /nfs/dbraw/zinc/17/29/36/476172936.db2.gz AJZFHIUQFRJAAC-GTPINHCMSA-N 1 3 338.517 2.620 20 0 EFADHO COCCCOc1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357040591 476179774 /nfs/dbraw/zinc/17/97/74/476179774.db2.gz BWMUBXQUXDAWBK-IBGZPJMESA-N 1 3 332.488 2.923 20 0 EFADHO COCCCOc1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357040593 476180620 /nfs/dbraw/zinc/18/06/20/476180620.db2.gz BWMUBXQUXDAWBK-LJQANCHMSA-N 1 3 332.488 2.923 20 0 EFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000338789585 476188934 /nfs/dbraw/zinc/18/89/34/476188934.db2.gz MIMRKIHJQHTJGY-OKYOBFRVSA-N 1 3 341.499 2.544 20 0 EFADHO CN(C)Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000359102369 476190607 /nfs/dbraw/zinc/19/06/07/476190607.db2.gz FZPYMMOPSLVAQA-UHFFFAOYSA-N 1 3 330.501 2.963 20 0 EFADHO COc1cc2c(c(CN3CCC([C@@H]4CC[NH2+]C4)CC3)c1)O[C@H](C)C2 ZINC000357055381 476192578 /nfs/dbraw/zinc/19/25/78/476192578.db2.gz RACVPTLPGYVZQD-GDBMZVCRSA-N 1 3 330.472 2.840 20 0 EFADHO CC[NH+]1CCC(N(C)C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000340672804 476195262 /nfs/dbraw/zinc/19/52/62/476195262.db2.gz HDWVZZCYPIVGBG-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](CC)C(C)C)N(C)C)cc1 ZINC000338804024 476200638 /nfs/dbraw/zinc/20/06/38/476200638.db2.gz FUFWLOMHLTXSQE-LJQANCHMSA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](CC)C(C)C)N(C)C)cc1 ZINC000338804024 476200644 /nfs/dbraw/zinc/20/06/44/476200644.db2.gz FUFWLOMHLTXSQE-LJQANCHMSA-N 1 3 348.535 2.881 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCC[C@H](C)C1)CC(C)C ZINC000302932708 476212241 /nfs/dbraw/zinc/21/22/41/476212241.db2.gz HJCLMAUFMUXMLG-ZWKOTPCHSA-N 1 3 340.556 2.774 20 0 EFADHO O=C1[C@H](N2CCC([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000357079417 476213184 /nfs/dbraw/zinc/21/31/84/476213184.db2.gz SIEDTSMGZWCFEL-PKOBYXMFSA-N 1 3 327.472 2.504 20 0 EFADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1)CC1CC1 ZINC000357084704 476217700 /nfs/dbraw/zinc/21/77/00/476217700.db2.gz MJMRHAXAXWVLHA-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1)CC1CC1 ZINC000357084704 476217705 /nfs/dbraw/zinc/21/77/05/476217705.db2.gz MJMRHAXAXWVLHA-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000353725658 476219892 /nfs/dbraw/zinc/21/98/92/476219892.db2.gz QNISBCUQBKPLEN-SCTDSRPQSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000353725658 476219898 /nfs/dbraw/zinc/21/98/98/476219898.db2.gz QNISBCUQBKPLEN-SCTDSRPQSA-N 1 3 346.519 2.770 20 0 EFADHO COCc1cccc(OCC2(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCC2)c1 ZINC000357093595 476226177 /nfs/dbraw/zinc/22/61/77/476226177.db2.gz WVXSSXRMVWVULV-RTBURBONSA-N 1 3 344.499 2.923 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000303275819 476227070 /nfs/dbraw/zinc/22/70/70/476227070.db2.gz SKJGMICCFPMYIT-OAGGEKHMSA-N 1 3 338.540 2.525 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1nc2ccc(OC)cc2s1 ZINC000353739692 476231830 /nfs/dbraw/zinc/23/18/30/476231830.db2.gz PVDCVZUTJDPIRZ-AWEZNQCLSA-N 1 3 337.489 2.751 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000344310264 476237529 /nfs/dbraw/zinc/23/75/29/476237529.db2.gz YDDQHOIUSYVMRI-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000344310263 476238124 /nfs/dbraw/zinc/23/81/24/476238124.db2.gz YDDQHOIUSYVMRI-APWZRJJASA-N 1 3 346.519 2.762 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N2CCCC2)c1 ZINC000359579547 476250075 /nfs/dbraw/zinc/25/00/75/476250075.db2.gz DDFNGKVDMSXJCG-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000359579547 476250079 /nfs/dbraw/zinc/25/00/79/476250079.db2.gz DDFNGKVDMSXJCG-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000359579547 476250085 /nfs/dbraw/zinc/25/00/85/476250085.db2.gz DDFNGKVDMSXJCG-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000362440493 476251200 /nfs/dbraw/zinc/25/12/00/476251200.db2.gz QSYDDCHXGMKETC-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)C1 ZINC000362440493 476251205 /nfs/dbraw/zinc/25/12/05/476251205.db2.gz QSYDDCHXGMKETC-RCCFBDPRSA-N 1 3 338.540 2.526 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000353768531 476259488 /nfs/dbraw/zinc/25/94/88/476259488.db2.gz OLYIFXHMXLHKCI-NRFANRHFSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@]2(CNC(=O)C2)C1 ZINC000353768531 476259494 /nfs/dbraw/zinc/25/94/94/476259494.db2.gz OLYIFXHMXLHKCI-NRFANRHFSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362453267 476262303 /nfs/dbraw/zinc/26/23/03/476262303.db2.gz WXJYQZCLSITJFO-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362453267 476262307 /nfs/dbraw/zinc/26/23/07/476262307.db2.gz WXJYQZCLSITJFO-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+]1CC[C@@H]2CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC000359903718 476272731 /nfs/dbraw/zinc/27/27/31/476272731.db2.gz SUXSLNHTOZLKSK-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC000359903718 476272734 /nfs/dbraw/zinc/27/27/34/476272734.db2.gz SUXSLNHTOZLKSK-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO CC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000357250267 476304957 /nfs/dbraw/zinc/30/49/57/476304957.db2.gz ARDWYOCISAEFOJ-KRWDZBQOSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350872906 476308646 /nfs/dbraw/zinc/30/86/46/476308646.db2.gz YRIYHLTVVHXULO-CQSZACIVSA-N 1 3 338.540 2.667 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362594683 476321495 /nfs/dbraw/zinc/32/14/95/476321495.db2.gz VXQUAYBYEHWURT-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)c2ccccc2CN(C)C)([NH+](C)C)C1 ZINC000362595932 476322130 /nfs/dbraw/zinc/32/21/30/476322130.db2.gz IHHVMGKQTSVQOE-UZLBHIALSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)c2ccccc2CN(C)C)([NH+](C)C)C1 ZINC000362595929 476322694 /nfs/dbraw/zinc/32/26/94/476322694.db2.gz IHHVMGKQTSVQOE-JXFKEZNVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)c2ccccc2CN(C)C)([NH+](C)C)C1 ZINC000362595931 476322708 /nfs/dbraw/zinc/32/27/08/476322708.db2.gz IHHVMGKQTSVQOE-OXQOHEQNSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353950811 476334094 /nfs/dbraw/zinc/33/40/94/476334094.db2.gz HAAYDNPHDBGEGB-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000353950811 476334097 /nfs/dbraw/zinc/33/40/97/476334097.db2.gz HAAYDNPHDBGEGB-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](C(=O)N1CCNC(C)(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000357347806 476341249 /nfs/dbraw/zinc/34/12/49/476341249.db2.gz YVTJZWIDAWWJIS-KRWDZBQOSA-N 1 3 343.515 2.540 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000360693747 476343950 /nfs/dbraw/zinc/34/39/50/476343950.db2.gz ZEBZLMZTWNMKMT-LAUBAEHRSA-N 1 3 345.531 2.837 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000362672833 476346812 /nfs/dbraw/zinc/34/68/12/476346812.db2.gz WCLJGPPLLZTLHH-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000357376706 476350567 /nfs/dbraw/zinc/35/05/67/476350567.db2.gz BAYVPPKVKSEYEC-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1)C1CC1 ZINC000357380186 476350928 /nfs/dbraw/zinc/35/09/28/476350928.db2.gz ACJKUKOYOSRTQK-MAUKXSAKSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1)C1CC1 ZINC000357380186 476350932 /nfs/dbraw/zinc/35/09/32/476350932.db2.gz ACJKUKOYOSRTQK-MAUKXSAKSA-N 1 3 329.488 2.883 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000357383512 476352756 /nfs/dbraw/zinc/35/27/56/476352756.db2.gz CWAZZGVMOLVIRL-WMZOPIPTSA-N 1 3 347.503 2.620 20 0 EFADHO C[NH+](C)CCOc1ccccc1-c1noc(C23CCCN2CCC3)n1 ZINC000351212074 476363884 /nfs/dbraw/zinc/36/38/84/476363884.db2.gz OMSIPUGQBWZOOT-UHFFFAOYSA-N 1 3 342.443 2.762 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000357414782 476368796 /nfs/dbraw/zinc/36/87/96/476368796.db2.gz UMDAHXPHUXWIKT-IBGZPJMESA-N 1 3 331.504 2.964 20 0 EFADHO CCCOc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000354019096 476369171 /nfs/dbraw/zinc/36/91/71/476369171.db2.gz UIFJSGMGBYUJDE-WIYYLYMNSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000354019096 476369177 /nfs/dbraw/zinc/36/91/77/476369177.db2.gz UIFJSGMGBYUJDE-WIYYLYMNSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000357423921 476374628 /nfs/dbraw/zinc/37/46/28/476374628.db2.gz WCNJNCGFXIZERI-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000354026334 476376083 /nfs/dbraw/zinc/37/60/83/476376083.db2.gz RMVISHNKWMBPFQ-UHFFFAOYSA-N 1 3 332.488 2.944 20 0 EFADHO CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377385064 476377059 /nfs/dbraw/zinc/37/70/59/476377059.db2.gz BSLMKNUWLZWCKZ-UAGQMJEPSA-N 1 3 326.550 2.997 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccn(C)c1 ZINC000354035828 476380917 /nfs/dbraw/zinc/38/09/17/476380917.db2.gz FQTGSUFLVWLTKT-UHFFFAOYSA-N 1 3 332.536 2.653 20 0 EFADHO C[C@H]1CN(Cc2coc3ccccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354038311 476384049 /nfs/dbraw/zinc/38/40/49/476384049.db2.gz JZPWSBADENNLAK-QFBILLFUSA-N 1 3 327.472 2.891 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000369167475 476395004 /nfs/dbraw/zinc/39/50/04/476395004.db2.gz OLZRBQJGYHAZQI-FXRXJOCMSA-N 1 3 347.528 2.637 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccccc2NC(C)=O)C1 ZINC000354078538 476411298 /nfs/dbraw/zinc/41/12/98/476411298.db2.gz UKEJVUJSHMIYSV-SFHVURJKSA-N 1 3 333.476 2.578 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000360835893 476417100 /nfs/dbraw/zinc/41/71/00/476417100.db2.gz LNDRFRLFWTVCLE-UKRRQHHQSA-N 1 3 330.394 2.683 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000357529138 476434001 /nfs/dbraw/zinc/43/40/01/476434001.db2.gz CHOPKJFWGNGBMT-VVLHAWIVSA-N 1 3 348.491 2.587 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000357529138 476434006 /nfs/dbraw/zinc/43/40/06/476434006.db2.gz CHOPKJFWGNGBMT-VVLHAWIVSA-N 1 3 348.491 2.587 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC(C)CC2)[C@H](C)C1 ZINC000360859071 476434220 /nfs/dbraw/zinc/43/42/20/476434220.db2.gz NEXDINIDUGHRES-AABGKKOBSA-N 1 3 339.568 2.833 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362839329 476434594 /nfs/dbraw/zinc/43/45/94/476434594.db2.gz QDYPCXZYAUFXHA-GPMSIDNRSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362839329 476434600 /nfs/dbraw/zinc/43/46/00/476434600.db2.gz QDYPCXZYAUFXHA-GPMSIDNRSA-N 1 3 329.488 2.526 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3CCN(C4CC4)CC3)C2)CC1 ZINC000369621483 476442673 /nfs/dbraw/zinc/44/26/73/476442673.db2.gz IPBAIMCVKNNGES-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000357549246 476446492 /nfs/dbraw/zinc/44/64/92/476446492.db2.gz UIHNZTYLOVWCTC-HZPDHXFCSA-N 1 3 338.496 2.690 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000363595160 476452128 /nfs/dbraw/zinc/45/21/28/476452128.db2.gz LWPLXIFMJUCFAX-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374158593 476457442 /nfs/dbraw/zinc/45/74/42/476457442.db2.gz CVPPUBXOPCDLGS-ICSRJNTNSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374158593 476457448 /nfs/dbraw/zinc/45/74/48/476457448.db2.gz CVPPUBXOPCDLGS-ICSRJNTNSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939264 476491752 /nfs/dbraw/zinc/49/17/52/476491752.db2.gz YHEOLKYXRPNFRI-QFBILLFUSA-N 1 3 345.487 2.688 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939264 476491756 /nfs/dbraw/zinc/49/17/56/476491756.db2.gz YHEOLKYXRPNFRI-QFBILLFUSA-N 1 3 345.487 2.688 20 0 EFADHO C[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000369734969 476501304 /nfs/dbraw/zinc/50/13/04/476501304.db2.gz BCLBGRWSAHUWGC-QZTJIDSGSA-N 1 3 328.456 2.536 20 0 EFADHO C[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000369734969 476501309 /nfs/dbraw/zinc/50/13/09/476501309.db2.gz BCLBGRWSAHUWGC-QZTJIDSGSA-N 1 3 328.456 2.536 20 0 EFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354209528 476504183 /nfs/dbraw/zinc/50/41/83/476504183.db2.gz ITOBKYAPIWUTIP-FQUUOJAGSA-N 1 3 328.909 2.940 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@H]1C ZINC000354222432 476515110 /nfs/dbraw/zinc/51/51/10/476515110.db2.gz JGMRALCJLTZQBM-CVEARBPZSA-N 1 3 334.460 2.989 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@H]1C ZINC000354222432 476515117 /nfs/dbraw/zinc/51/51/17/476515117.db2.gz JGMRALCJLTZQBM-CVEARBPZSA-N 1 3 334.460 2.989 20 0 EFADHO CCN1CC[C@H]([N@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354223924 476515873 /nfs/dbraw/zinc/51/58/73/476515873.db2.gz LTNKEPCTZHWWBY-RDJZCZTQSA-N 1 3 334.460 2.657 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354223924 476515881 /nfs/dbraw/zinc/51/58/81/476515881.db2.gz LTNKEPCTZHWWBY-RDJZCZTQSA-N 1 3 334.460 2.657 20 0 EFADHO COC(=O)c1cc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n(C)c1C ZINC000360983938 476524326 /nfs/dbraw/zinc/52/43/26/476524326.db2.gz BXBSSBITXLFPHT-HZPDHXFCSA-N 1 3 349.519 2.968 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000352125711 476525105 /nfs/dbraw/zinc/52/51/05/476525105.db2.gz KYADFWIDLDKSRJ-INIZCTEOSA-N 1 3 341.565 2.631 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000354245607 476534862 /nfs/dbraw/zinc/53/48/62/476534862.db2.gz TUXUITVTBHLIFS-OALUTQOASA-N 1 3 331.504 2.916 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000357740406 476570152 /nfs/dbraw/zinc/57/01/52/476570152.db2.gz JLQIJTJDXKUJBJ-FUHWJXTLSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000357740406 476570156 /nfs/dbraw/zinc/57/01/56/476570156.db2.gz JLQIJTJDXKUJBJ-FUHWJXTLSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1cccc(CN2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)c1 ZINC000377769421 476571449 /nfs/dbraw/zinc/57/14/49/476571449.db2.gz UUPISUBIBUXGSW-UHFFFAOYSA-N 1 3 341.499 2.704 20 0 EFADHO CCN(Cc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000354310124 476576006 /nfs/dbraw/zinc/57/60/06/476576006.db2.gz AFSZCRYHGQWLTQ-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000354344753 476600198 /nfs/dbraw/zinc/60/01/98/476600198.db2.gz AKDYKLTUERLDFX-WOJBJXKFSA-N 1 3 339.568 2.571 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000374985288 476622223 /nfs/dbraw/zinc/62/22/23/476622223.db2.gz YHDKNHYNADTFNP-VAMGGRTRSA-N 1 3 341.499 2.607 20 0 EFADHO NC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000365569551 476626393 /nfs/dbraw/zinc/62/63/93/476626393.db2.gz SPIVULKUVNVGBK-DNVCBOLYSA-N 1 3 325.456 2.736 20 0 EFADHO NC[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000365569553 476627075 /nfs/dbraw/zinc/62/70/75/476627075.db2.gz SPIVULKUVNVGBK-KXBFYZLASA-N 1 3 325.456 2.736 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)C2)CC1 ZINC000370008120 476630357 /nfs/dbraw/zinc/63/03/57/476630357.db2.gz NYIVQOOMTUPOPG-OALUTQOASA-N 1 3 347.547 2.975 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000365595021 476638536 /nfs/dbraw/zinc/63/85/36/476638536.db2.gz MTSBWSCNCCJTQE-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000365595021 476638541 /nfs/dbraw/zinc/63/85/41/476638541.db2.gz MTSBWSCNCCJTQE-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000352339158 476647443 /nfs/dbraw/zinc/64/74/43/476647443.db2.gz ADGCMDSLLHOERY-NUJGCVRESA-N 1 3 334.508 2.626 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000354451309 476669761 /nfs/dbraw/zinc/66/97/61/476669761.db2.gz AVLYYPWIDDEUIN-FPOVZHCZSA-N 1 3 346.515 2.938 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCCC1 ZINC000421821884 476695915 /nfs/dbraw/zinc/69/59/15/476695915.db2.gz UPSNMZWJJWGKJJ-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@@H]1CN ZINC000422635944 476726000 /nfs/dbraw/zinc/72/60/00/476726000.db2.gz MDSPKIGSCHELKJ-FMKPAKJESA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@@H]1CN ZINC000422635944 476726007 /nfs/dbraw/zinc/72/60/07/476726007.db2.gz MDSPKIGSCHELKJ-FMKPAKJESA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000422635944 476726013 /nfs/dbraw/zinc/72/60/13/476726013.db2.gz MDSPKIGSCHELKJ-FMKPAKJESA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1CN ZINC000422635945 476726527 /nfs/dbraw/zinc/72/65/27/476726527.db2.gz MDSPKIGSCHELKJ-IIAWOOMASA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1CN ZINC000422635945 476726532 /nfs/dbraw/zinc/72/65/32/476726532.db2.gz MDSPKIGSCHELKJ-IIAWOOMASA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)NCc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000422635945 476726534 /nfs/dbraw/zinc/72/65/34/476726534.db2.gz MDSPKIGSCHELKJ-IIAWOOMASA-N 1 3 337.895 2.652 20 0 EFADHO CC(C)[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000444752045 476729043 /nfs/dbraw/zinc/72/90/43/476729043.db2.gz GXKSCFMSMLFBLV-RBUKOAKNSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000444752045 476729050 /nfs/dbraw/zinc/72/90/50/476729050.db2.gz GXKSCFMSMLFBLV-RBUKOAKNSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000379663808 476730265 /nfs/dbraw/zinc/73/02/65/476730265.db2.gz MNFKLXSMCDDAKR-BHIYHBOVSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000379663810 476731779 /nfs/dbraw/zinc/73/17/79/476731779.db2.gz MNFKLXSMCDDAKR-NZSAHSFTSA-N 1 3 343.515 2.934 20 0 EFADHO O=C1C[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCCN1 ZINC000380094631 476732251 /nfs/dbraw/zinc/73/22/51/476732251.db2.gz VSQZOTLPADRWAA-RBUKOAKNSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094631 476732258 /nfs/dbraw/zinc/73/22/58/476732258.db2.gz VSQZOTLPADRWAA-RBUKOAKNSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094631 476732260 /nfs/dbraw/zinc/73/22/60/476732260.db2.gz VSQZOTLPADRWAA-RBUKOAKNSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000422688395 476732587 /nfs/dbraw/zinc/73/25/87/476732587.db2.gz CXAOQYYBNHCQSE-DYESRHJHSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccncc2)CC1 ZINC000422688395 476732593 /nfs/dbraw/zinc/73/25/93/476732593.db2.gz CXAOQYYBNHCQSE-DYESRHJHSA-N 1 3 338.499 2.594 20 0 EFADHO c1cc(CN2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422691094 476732645 /nfs/dbraw/zinc/73/26/45/476732645.db2.gz HHCZGKMDEPDOSV-XUVXKRRUSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@@H](CCNC(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC000445251650 476732705 /nfs/dbraw/zinc/73/27/05/476732705.db2.gz QAYAIANAJYVHKK-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO O=C1C[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCCN1 ZINC000380094627 476733027 /nfs/dbraw/zinc/73/30/27/476733027.db2.gz VSQZOTLPADRWAA-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@@H](NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094627 476733037 /nfs/dbraw/zinc/73/30/37/476733037.db2.gz VSQZOTLPADRWAA-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@@H](NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094627 476733041 /nfs/dbraw/zinc/73/30/41/476733041.db2.gz VSQZOTLPADRWAA-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO CCOc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422695895 476734075 /nfs/dbraw/zinc/73/40/75/476734075.db2.gz QKRLMFYPGISCDE-KWCYVHTRSA-N 1 3 344.402 2.529 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699616 476735648 /nfs/dbraw/zinc/73/56/48/476735648.db2.gz ASSUVEYBDIBLSG-RCBQFDQVSA-N 1 3 330.394 2.980 20 0 EFADHO CCC(CC)C(=O)N1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422700456 476735937 /nfs/dbraw/zinc/73/59/37/476735937.db2.gz BXYHJYXPEBXTSM-JXFKEZNVSA-N 1 3 345.531 2.962 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699617 476736085 /nfs/dbraw/zinc/73/60/85/476736085.db2.gz ASSUVEYBDIBLSG-VBNZEHGJSA-N 1 3 330.394 2.980 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709170 476738092 /nfs/dbraw/zinc/73/80/92/476738092.db2.gz CZDLGEOTTXKTRJ-SXLOBPIMSA-N 1 3 333.520 2.816 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422711016 476738643 /nfs/dbraw/zinc/73/86/43/476738643.db2.gz MPGCDXXOCZLELL-AEFFLSMTSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)N1CCc2ccccc2C1 ZINC000422712305 476739399 /nfs/dbraw/zinc/73/93/99/476739399.db2.gz IHPYMUKWFZXHRA-FGSXEWAUSA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422712305 476739406 /nfs/dbraw/zinc/73/94/06/476739406.db2.gz IHPYMUKWFZXHRA-FGSXEWAUSA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCN1CCCC1 ZINC000381957840 476741359 /nfs/dbraw/zinc/74/13/59/476741359.db2.gz FYBDOESZRWPPMA-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000382699445 476744509 /nfs/dbraw/zinc/74/45/09/476744509.db2.gz LOCFRCLYWCMGLL-RBUKOAKNSA-N 1 3 343.515 2.889 20 0 EFADHO c1ccc(CCOCCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422724085 476744511 /nfs/dbraw/zinc/74/45/11/476744511.db2.gz UJBFLRXBIHHMJU-QHAWAJNXSA-N 1 3 346.515 2.773 20 0 EFADHO COCCN(C)CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422723034 476744943 /nfs/dbraw/zinc/74/49/43/476744943.db2.gz ZLERLYPZAGIYPN-XNMUZJSGSA-N 1 3 331.504 2.569 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422728404 476746406 /nfs/dbraw/zinc/74/64/06/476746406.db2.gz GFSMEMLUVYAZIG-BQJUDKOJSA-N 1 3 345.531 2.598 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726443 476746797 /nfs/dbraw/zinc/74/67/97/476746797.db2.gz ZXTTXJZHDYUDLO-KUHUBIRLSA-N 1 3 337.458 2.907 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365879503 476746831 /nfs/dbraw/zinc/74/68/31/476746831.db2.gz MBUOOTILKWDTDC-PXNSSMCTSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365879503 476746839 /nfs/dbraw/zinc/74/68/39/476746839.db2.gz MBUOOTILKWDTDC-PXNSSMCTSA-N 1 3 341.499 2.837 20 0 EFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422728369 476747469 /nfs/dbraw/zinc/74/74/69/476747469.db2.gz FZGNEYYBKNILDA-BURNTYAHSA-N 1 3 343.515 2.570 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734755 476750941 /nfs/dbraw/zinc/75/09/41/476750941.db2.gz TYBCIBBHMMRTQC-WOSRLPQWSA-N 1 3 343.393 2.881 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734755 476750947 /nfs/dbraw/zinc/75/09/47/476750947.db2.gz TYBCIBBHMMRTQC-WOSRLPQWSA-N 1 3 343.393 2.881 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000422735445 476752118 /nfs/dbraw/zinc/75/21/18/476752118.db2.gz UTXMNCTVFLXVSS-BFUOFWGJSA-N 1 3 330.451 2.941 20 0 EFADHO CN(CCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739227 476754566 /nfs/dbraw/zinc/75/45/66/476754566.db2.gz KVCHYAOOYCJZMI-VAMGGRTRSA-N 1 3 331.504 2.650 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)N1CCCC1 ZINC000422746104 476755472 /nfs/dbraw/zinc/75/54/72/476755472.db2.gz NJNIDLINQVPNBT-WDSOQIARSA-N 1 3 331.504 2.810 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422744107 476755606 /nfs/dbraw/zinc/75/56/06/476755606.db2.gz SHQIRYRXJLJQFE-OBJCFNGXSA-N 1 3 343.515 2.569 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422744109 476756062 /nfs/dbraw/zinc/75/60/62/476756062.db2.gz SHQIRYRXJLJQFE-SDZDHKAXSA-N 1 3 343.515 2.569 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000422749429 476757414 /nfs/dbraw/zinc/75/74/14/476757414.db2.gz ZCNQBEOZVPWCEE-IMJJTQAJSA-N 1 3 332.492 2.583 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422749327 476758187 /nfs/dbraw/zinc/75/81/87/476758187.db2.gz YPPXOIIKZDOZCF-QRQLOZEOSA-N 1 3 331.504 2.939 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591472 476760795 /nfs/dbraw/zinc/76/07/95/476760795.db2.gz IPWIJNICQLPRQJ-UXHICEINSA-N 1 3 340.467 2.538 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591472 476760804 /nfs/dbraw/zinc/76/08/04/476760804.db2.gz IPWIJNICQLPRQJ-UXHICEINSA-N 1 3 340.467 2.538 20 0 EFADHO C[C@@H](NC1(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758852 476762874 /nfs/dbraw/zinc/76/28/74/476762874.db2.gz JGSRRUXEMPHWFE-AOIWGVFYSA-N 1 3 331.504 2.617 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759645 476764526 /nfs/dbraw/zinc/76/45/26/476764526.db2.gz LDXVXQVSPYIKLI-KKUMJFAQSA-N 1 3 339.430 2.974 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422759645 476764530 /nfs/dbraw/zinc/76/45/30/476764530.db2.gz LDXVXQVSPYIKLI-KKUMJFAQSA-N 1 3 339.430 2.974 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@H](C)N)CC2)n1 ZINC000422765283 476766163 /nfs/dbraw/zinc/76/61/63/476766163.db2.gz QSAULCPLNFMLLW-FXAWDEMLSA-N 1 3 338.499 2.907 20 0 EFADHO Cc1cccc(N2CCC(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])CC2)n1 ZINC000422765283 476766170 /nfs/dbraw/zinc/76/61/70/476766170.db2.gz QSAULCPLNFMLLW-FXAWDEMLSA-N 1 3 338.499 2.907 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422766039 476766809 /nfs/dbraw/zinc/76/68/09/476766809.db2.gz RIFMOQZFJWRDRZ-QLFBSQMISA-N 1 3 339.430 2.844 20 0 EFADHO COc1ccc(OC)c(CCN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422772132 476768913 /nfs/dbraw/zinc/76/89/13/476768913.db2.gz YVHYUTUHZGVYDF-BEFAXECRSA-N 1 3 328.456 2.794 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000422772464 476769316 /nfs/dbraw/zinc/76/93/16/476769316.db2.gz YRYYQWRHEMRGIP-CVAIRZPRSA-N 1 3 330.447 2.525 20 0 EFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774523 476771165 /nfs/dbraw/zinc/77/11/65/476771165.db2.gz XITVGLKDLICRFZ-CEXWTWQISA-N 1 3 334.529 2.975 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000387493217 476771624 /nfs/dbraw/zinc/77/16/24/476771624.db2.gz ZTIYGBDZCLBZCQ-CAOSSQGBSA-N 1 3 327.513 2.950 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000387493217 476771630 /nfs/dbraw/zinc/77/16/30/476771630.db2.gz ZTIYGBDZCLBZCQ-CAOSSQGBSA-N 1 3 327.513 2.950 20 0 EFADHO CN(C(=O)C1(C[NH3+])CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388518468 476778776 /nfs/dbraw/zinc/77/87/76/476778776.db2.gz QASHWLABZAOAGE-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2(N(C)C)CCC2)C1 ZINC000445867155 476783375 /nfs/dbraw/zinc/78/33/75/476783375.db2.gz SWQOMXOUJMPGFF-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389749292 476784922 /nfs/dbraw/zinc/78/49/22/476784922.db2.gz JANICNVIRGWBNS-AKBNIOSXSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389749292 476784924 /nfs/dbraw/zinc/78/49/24/476784924.db2.gz JANICNVIRGWBNS-AKBNIOSXSA-N 1 3 337.508 2.847 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389869842 476786613 /nfs/dbraw/zinc/78/66/13/476786613.db2.gz IXWMSYFWXSRABB-CGTJXYLNSA-N 1 3 331.504 2.647 20 0 EFADHO CN1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000365965024 476786758 /nfs/dbraw/zinc/78/67/58/476786758.db2.gz VJBGUZVLOLVNSX-LPHOPBHVSA-N 1 3 349.544 2.979 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422807186 476787275 /nfs/dbraw/zinc/78/72/75/476787275.db2.gz JGHRGTQKQZAKBD-YAJHFMINSA-N 1 3 331.504 2.513 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)cc1 ZINC000422809783 476788875 /nfs/dbraw/zinc/78/88/75/476788875.db2.gz QPXHHZYZXUKEHF-RUGGUXRKSA-N 1 3 332.488 2.805 20 0 EFADHO CC[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCCN1 ZINC000422814809 476789733 /nfs/dbraw/zinc/78/97/33/476789733.db2.gz AFZMNDXVGNKEPB-RTBURBONSA-N 1 3 326.488 2.984 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422817435 476791965 /nfs/dbraw/zinc/79/19/65/476791965.db2.gz CYQMFMXSUCNGEJ-RBUKOAKNSA-N 1 3 325.456 2.861 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422818378 476792483 /nfs/dbraw/zinc/79/24/83/476792483.db2.gz KDSIJQNUGYSKSL-AWEZNQCLSA-N 1 3 330.451 2.770 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000422822202 476795923 /nfs/dbraw/zinc/79/59/23/476795923.db2.gz JJGLRCGRDJBFPX-GXTWGEPZSA-N 1 3 339.867 2.797 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390739343 476797256 /nfs/dbraw/zinc/79/72/56/476797256.db2.gz LAPSFIJUSWQYLL-ZWKOTPCHSA-N 1 3 331.504 2.791 20 0 EFADHO Fc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422828049 476797472 /nfs/dbraw/zinc/79/74/72/476797472.db2.gz FRTXVPOSGNQESB-GUDVDZBRSA-N 1 3 336.451 2.731 20 0 EFADHO CC[C@H](N)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000390754299 476798533 /nfs/dbraw/zinc/79/85/33/476798533.db2.gz UXAWRMDHNCUTIN-FQEVSTJZSA-N 1 3 339.483 2.932 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390771207 476799203 /nfs/dbraw/zinc/79/92/03/476799203.db2.gz JNDPWFSARWDGSJ-GUDVDZBRSA-N 1 3 329.488 2.675 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390771205 476799843 /nfs/dbraw/zinc/79/98/43/476799843.db2.gz JNDPWFSARWDGSJ-GBESFXJTSA-N 1 3 329.488 2.675 20 0 EFADHO Fc1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422838017 476802638 /nfs/dbraw/zinc/80/26/38/476802638.db2.gz NNTVVTSDJSWYCP-FGTMMUONSA-N 1 3 331.435 2.596 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422842043 476805397 /nfs/dbraw/zinc/80/53/97/476805397.db2.gz FBIJDVVMFZGLBJ-HKUYNNGSSA-N 1 3 343.515 2.875 20 0 EFADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422845795 476806569 /nfs/dbraw/zinc/80/65/69/476806569.db2.gz OQEBNIKRZUVDGR-BZSNNMDCSA-N 1 3 337.577 2.858 20 0 EFADHO Cc1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422846858 476808288 /nfs/dbraw/zinc/80/82/88/476808288.db2.gz QNFNGWRCWKASHC-IPMKNSEASA-N 1 3 327.472 2.766 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390941399 476810426 /nfs/dbraw/zinc/81/04/26/476810426.db2.gz MSDJPPFREPMSFE-PANBIXPWSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390941399 476810433 /nfs/dbraw/zinc/81/04/33/476810433.db2.gz MSDJPPFREPMSFE-PANBIXPWSA-N 1 3 341.499 2.686 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422851158 476811171 /nfs/dbraw/zinc/81/11/71/476811171.db2.gz ONLJTPPEYCTYDT-HSALFYBXSA-N 1 3 349.563 2.779 20 0 EFADHO CCCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000422854820 476811697 /nfs/dbraw/zinc/81/16/97/476811697.db2.gz DDZQPIURDKECII-BHYGNILZSA-N 1 3 336.476 2.716 20 0 EFADHO COC[C@@H](CCC[NH3+])NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422889964 476829648 /nfs/dbraw/zinc/82/96/48/476829648.db2.gz RAUJQNMJWOCJOA-OAHLLOKOSA-N 1 3 333.407 2.857 20 0 EFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422896109 476832205 /nfs/dbraw/zinc/83/22/05/476832205.db2.gz XKACNQOBKYILRX-LEWJYISDSA-N 1 3 344.547 2.574 20 0 EFADHO COc1ccc(OCCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc1 ZINC000422899728 476836399 /nfs/dbraw/zinc/83/63/99/476836399.db2.gz PAKLOAZYJBTCAJ-CQSZACIVSA-N 1 3 329.444 2.977 20 0 EFADHO Cc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422898899 476836415 /nfs/dbraw/zinc/83/64/15/476836415.db2.gz NFBKVRJPUOCVIX-SLFFLAALSA-N 1 3 332.488 2.901 20 0 EFADHO C(CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422900788 476837336 /nfs/dbraw/zinc/83/73/36/476837336.db2.gz ATYFPFNJZKIWMK-HRCADAONSA-N 1 3 349.544 2.701 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCCCC[C@@H]3[NH3+])c2)CCO1 ZINC000422901641 476837937 /nfs/dbraw/zinc/83/79/37/476837937.db2.gz LIEDDEKYUMLEQL-LSTHTHJFSA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCCC[C@@H]3N)c2)CCO1 ZINC000422901641 476837945 /nfs/dbraw/zinc/83/79/45/476837945.db2.gz LIEDDEKYUMLEQL-LSTHTHJFSA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H](N)C[C@H](C)[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902629 476838317 /nfs/dbraw/zinc/83/83/17/476838317.db2.gz NHHXVSQAAWKRBR-CVEARBPZSA-N 1 3 338.927 2.568 20 0 EFADHO C[C@@H]([NH3+])C[C@H](C)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902629 476838322 /nfs/dbraw/zinc/83/83/22/476838322.db2.gz NHHXVSQAAWKRBR-CVEARBPZSA-N 1 3 338.927 2.568 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000422904413 476838887 /nfs/dbraw/zinc/83/88/87/476838887.db2.gz XKJAAKOCHLRHGD-SLFFLAALSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@@H]1CN(CCSCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370500862 476841439 /nfs/dbraw/zinc/84/14/39/476841439.db2.gz SGHJIMKRPLWMCS-QUCCMNQESA-N 1 3 347.572 2.878 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422915294 476845197 /nfs/dbraw/zinc/84/51/97/476845197.db2.gz ARCOZFDFZUVMNA-YQFWSFKMSA-N 1 3 338.879 2.854 20 0 EFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422922774 476846348 /nfs/dbraw/zinc/84/63/48/476846348.db2.gz UIVXNEHCZOGBSO-YSIASYRMSA-N 1 3 338.499 3.547 20 0 EFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422922772 476846433 /nfs/dbraw/zinc/84/64/33/476846433.db2.gz UIVXNEHCZOGBSO-DFQSSKMNSA-N 1 3 338.499 3.547 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H](C)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422921193 476847141 /nfs/dbraw/zinc/84/71/41/476847141.db2.gz NQSRFMKMTSGMTI-FXAWDEMLSA-N 1 3 330.520 2.767 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCC[C@@H]2CN)cc1 ZINC000422923954 476848428 /nfs/dbraw/zinc/84/84/28/476848428.db2.gz AGAOSQXVGYMLLI-KVSKMBFKSA-N 1 3 347.503 2.760 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000422923629 476849000 /nfs/dbraw/zinc/84/90/00/476849000.db2.gz SDCGQFFXNWHOJW-VQTJNVASSA-N 1 3 330.520 2.896 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422928315 476851010 /nfs/dbraw/zinc/85/10/10/476851010.db2.gz KAIPPPAMJRQIGW-ODVANORSSA-N 1 3 326.868 2.839 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000430546137 476852662 /nfs/dbraw/zinc/85/26/62/476852662.db2.gz JBPCLYJUMYCFGS-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933631 476852764 /nfs/dbraw/zinc/85/27/64/476852764.db2.gz BPFALGAWIYFDEK-BFHYXJOUSA-N 1 3 340.309 2.991 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000397119868 476853100 /nfs/dbraw/zinc/85/31/00/476853100.db2.gz ZWXKQYIBKAKDBT-UHFFFAOYSA-N 1 3 326.440 2.551 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430548526 476854191 /nfs/dbraw/zinc/85/41/91/476854191.db2.gz LWVQIKQOYPSZEE-IEZWGBDMSA-N 1 3 329.488 2.630 20 0 EFADHO C[C@H](CCC[NH3+])NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422938833 476856049 /nfs/dbraw/zinc/85/60/49/476856049.db2.gz QHSIYSPJCOVXRI-MRVPVSSYSA-N 1 3 335.761 2.619 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@@H]2C)C[C@H](C)O1 ZINC000422948240 476861442 /nfs/dbraw/zinc/86/14/42/476861442.db2.gz QYJLIXDOLIAMPQ-LXGFNABISA-N 1 3 345.531 2.774 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000414068173 476861689 /nfs/dbraw/zinc/86/16/89/476861689.db2.gz AUOPQNLMZNPFKB-ULQDDVLXSA-N 1 3 335.492 2.500 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCOc1cccc(Br)c1 ZINC000422951589 476862644 /nfs/dbraw/zinc/86/26/44/476862644.db2.gz ZEGMQNNWJSZKNC-SWLSCSKDSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951589 476862649 /nfs/dbraw/zinc/86/26/49/476862649.db2.gz ZEGMQNNWJSZKNC-SWLSCSKDSA-N 1 3 327.266 2.935 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422951587 476863373 /nfs/dbraw/zinc/86/33/73/476863373.db2.gz ZEGMQNNWJSZKNC-DOMZBBRYSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951587 476863381 /nfs/dbraw/zinc/86/33/81/476863381.db2.gz ZEGMQNNWJSZKNC-DOMZBBRYSA-N 1 3 327.266 2.935 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430567811 476863565 /nfs/dbraw/zinc/86/35/65/476863565.db2.gz GJANWYKNGCFZID-GXTWGEPZSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCNC(=O)c1ccc(F)cc1 ZINC000422955137 476863738 /nfs/dbraw/zinc/86/37/38/476863738.db2.gz IRYIMXRNPKKOQR-QAPCUYQASA-N 1 3 335.467 2.846 20 0 EFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422955284 476864057 /nfs/dbraw/zinc/86/40/57/476864057.db2.gz LNYXCQVGYOILNL-NEPJUHHUSA-N 1 3 342.281 2.802 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000398026557 476865326 /nfs/dbraw/zinc/86/53/26/476865326.db2.gz DWLGLZCLOGPLFM-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CCCCC1 ZINC000398026557 476865330 /nfs/dbraw/zinc/86/53/30/476865330.db2.gz DWLGLZCLOGPLFM-FUHWJXTLSA-N 1 3 329.488 2.675 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422959063 476866025 /nfs/dbraw/zinc/86/60/25/476866025.db2.gz QJKZPDDFUINTCL-AQNXPRMDSA-N 1 3 341.499 2.819 20 0 EFADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422957662 476866647 /nfs/dbraw/zinc/86/66/47/476866647.db2.gz USYQJGJZXGCWIF-HYVNUMGLSA-N 1 3 326.843 2.768 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000398175845 476867917 /nfs/dbraw/zinc/86/79/17/476867917.db2.gz VTMTWAYYVQRMDW-BVBHFADKSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430581077 476868100 /nfs/dbraw/zinc/86/81/00/476868100.db2.gz NOZHMMSPFLMBSC-RYUDHWBXSA-N 1 3 327.831 2.867 20 0 EFADHO C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CN ZINC000430583458 476868483 /nfs/dbraw/zinc/86/84/83/476868483.db2.gz MIDVHAFGXDNUPX-SWLSCSKDSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]1CN ZINC000430583458 476868488 /nfs/dbraw/zinc/86/84/88/476868488.db2.gz MIDVHAFGXDNUPX-SWLSCSKDSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430584084 476868916 /nfs/dbraw/zinc/86/89/16/476868916.db2.gz NXTKBZMGDWTVRM-TZMCWYRMSA-N 1 3 334.851 2.992 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398102364 476868969 /nfs/dbraw/zinc/86/89/69/476868969.db2.gz ZQEUSGZESRZMCN-BPQIPLTHSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398126942 476869332 /nfs/dbraw/zinc/86/93/32/476869332.db2.gz IHFQUABOJOEDQG-AOIWGVFYSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000398183844 476870687 /nfs/dbraw/zinc/87/06/87/476870687.db2.gz XTBLIBFCBUDVTI-WSTZPKSXSA-N 1 3 343.515 2.793 20 0 EFADHO CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000414084426 476871192 /nfs/dbraw/zinc/87/11/92/476871192.db2.gz XFEXTVUJXWJSOF-ROUUACIJSA-N 1 3 331.504 2.892 20 0 EFADHO CC[NH2+]CC1CCN(CCC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000430591600 476872214 /nfs/dbraw/zinc/87/22/14/476872214.db2.gz OMBKANDRWRTDIK-UHFFFAOYSA-N 1 3 331.460 2.539 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000430592141 476872436 /nfs/dbraw/zinc/87/24/36/476872436.db2.gz CEWFQVXZINSCHP-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO CN1CCC(C[NH2+][C@H]2CCCc3sccc32)(N2CCOCC2)CC1 ZINC000414187163 476874433 /nfs/dbraw/zinc/87/44/33/476874433.db2.gz ICVONGWGKUFTOO-KRWDZBQOSA-N 1 3 349.544 2.512 20 0 EFADHO CC(C)[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414204909 476875937 /nfs/dbraw/zinc/87/59/37/476875937.db2.gz WUXPRWLTBJSYNP-HXUWFJFHSA-N 1 3 345.531 2.770 20 0 EFADHO Cc1ccc(-c2noc(CCC[N@@H+](C)C3CCNCC3)n2)cc1F ZINC000430603587 476877838 /nfs/dbraw/zinc/87/78/38/476877838.db2.gz KTCQLULVHGZUKZ-UHFFFAOYSA-N 1 3 332.423 2.801 20 0 EFADHO Cc1ccc(-c2noc(CCC[N@H+](C)C3CCNCC3)n2)cc1F ZINC000430603587 476877843 /nfs/dbraw/zinc/87/78/43/476877843.db2.gz KTCQLULVHGZUKZ-UHFFFAOYSA-N 1 3 332.423 2.801 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000399730869 476885568 /nfs/dbraw/zinc/88/55/68/476885568.db2.gz LVNHEYPXZYJKHX-VQIMIIECSA-N 1 3 346.519 2.695 20 0 EFADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682036 476886941 /nfs/dbraw/zinc/88/69/41/476886941.db2.gz XKJPMDRDWFTYAA-HUUCEWRRSA-N 1 3 328.460 2.934 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cc1OC ZINC000423005122 476887458 /nfs/dbraw/zinc/88/74/58/476887458.db2.gz QUUQLAZLRSAFLW-KBXCAEBGSA-N 1 3 342.439 2.530 20 0 EFADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704382 476889025 /nfs/dbraw/zinc/88/90/25/476889025.db2.gz NDLTZVOWMYWGJJ-UEXGIBASSA-N 1 3 343.515 2.965 20 0 EFADHO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704382 476889028 /nfs/dbraw/zinc/88/90/28/476889028.db2.gz NDLTZVOWMYWGJJ-UEXGIBASSA-N 1 3 343.515 2.965 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000446580232 476889358 /nfs/dbraw/zinc/88/93/58/476889358.db2.gz AZRXYGURHAOHHD-SFHVURJKSA-N 1 3 344.503 2.883 20 0 EFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473808 476892288 /nfs/dbraw/zinc/89/22/88/476892288.db2.gz YZUWLUYMWWLQMP-ZCRFILTFSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473808 476892291 /nfs/dbraw/zinc/89/22/91/476892291.db2.gz YZUWLUYMWWLQMP-ZCRFILTFSA-N 1 3 337.508 2.989 20 0 EFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423016599 476892771 /nfs/dbraw/zinc/89/27/71/476892771.db2.gz UDMJTRJHZFVDQR-JOCLIGHLSA-N 1 3 332.488 2.621 20 0 EFADHO COC[C@H](CCC[NH3+])N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017056 476893546 /nfs/dbraw/zinc/89/35/46/476893546.db2.gz NVZGBWZHJMDOQN-RCBQFDQVSA-N 1 3 330.831 2.653 20 0 EFADHO [NH3+][C@@H]1C[C@@H](NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc21 ZINC000423018578 476893565 /nfs/dbraw/zinc/89/35/65/476893565.db2.gz ZHNKLBVPBZYPBS-PWIZWCRZSA-N 1 3 335.451 2.770 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H](N)C3)C[C@@H]2C1 ZINC000401119050 476897812 /nfs/dbraw/zinc/89/78/12/476897812.db2.gz MYMOLYBYSRJZGC-UTSKFRMZSA-N 1 3 337.508 2.882 20 0 EFADHO CN1CC[C@H](CN[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031290 476898289 /nfs/dbraw/zinc/89/82/89/476898289.db2.gz WZKPZYHLHQUKRP-YYQUZTFQSA-N 1 3 325.859 2.941 20 0 EFADHO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423031290 476898293 /nfs/dbraw/zinc/89/82/93/476898293.db2.gz WZKPZYHLHQUKRP-YYQUZTFQSA-N 1 3 325.859 2.941 20 0 EFADHO Cc1cc(Br)cn2cc(CCN[C@H](C)C[C@H](C)[NH3+])nc12 ZINC000423038167 476900408 /nfs/dbraw/zinc/90/04/08/476900408.db2.gz NXBQMKBHVAHOPX-NWDGAFQWSA-N 1 3 339.281 2.663 20 0 EFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@H](C)N)nc12 ZINC000423038167 476900414 /nfs/dbraw/zinc/90/04/14/476900414.db2.gz NXBQMKBHVAHOPX-NWDGAFQWSA-N 1 3 339.281 2.663 20 0 EFADHO CCC(CC)(CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)OC ZINC000423037349 476900691 /nfs/dbraw/zinc/90/06/91/476900691.db2.gz MTAGUYVBIJSKRC-OXJNMPFZSA-N 1 3 346.471 2.811 20 0 EFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414959230 476902235 /nfs/dbraw/zinc/90/22/35/476902235.db2.gz XCXSYJBRKZBLNC-ARFHVFGLSA-N 1 3 343.471 2.572 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423044393 476903218 /nfs/dbraw/zinc/90/32/18/476903218.db2.gz AMPGPNNZCMZXOM-YPMHNXCESA-N 1 3 329.366 2.528 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430708632 476903964 /nfs/dbraw/zinc/90/39/64/476903964.db2.gz KBIZGEZOAWOTNB-SJLPKXTDSA-N 1 3 331.504 2.746 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430708632 476903971 /nfs/dbraw/zinc/90/39/71/476903971.db2.gz KBIZGEZOAWOTNB-SJLPKXTDSA-N 1 3 331.504 2.746 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000430724403 476907519 /nfs/dbraw/zinc/90/75/19/476907519.db2.gz VQVVSBLTRHHYDG-LJQANCHMSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1ccc(Br)cc1CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423059461 476909927 /nfs/dbraw/zinc/90/99/27/476909927.db2.gz LTUGPPXDPCVWLX-KCPJHIHWSA-N 1 3 327.266 2.599 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000423065920 476913313 /nfs/dbraw/zinc/91/33/13/476913313.db2.gz VQBOWWHYTVTDSW-GFCCVEGCSA-N 1 3 342.842 2.890 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000430758990 476913751 /nfs/dbraw/zinc/91/37/51/476913751.db2.gz WHDMDWRGFJCBHB-MSOLQXFVSA-N 1 3 333.476 2.863 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@@H]1CCCCN1C1CC1 ZINC000423069196 476914279 /nfs/dbraw/zinc/91/42/79/476914279.db2.gz AOYQMTCFMJRKHW-FBBABVLZSA-N 1 3 341.499 2.849 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423070825 476914504 /nfs/dbraw/zinc/91/45/04/476914504.db2.gz DOLBFIROEYCESO-ZEWNOJEFSA-N 1 3 342.458 2.840 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000423070821 476915690 /nfs/dbraw/zinc/91/56/90/476915690.db2.gz DOLBFIROEYCESO-FCRQHZQGSA-N 1 3 342.458 2.840 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366234075 476916293 /nfs/dbraw/zinc/91/62/93/476916293.db2.gz IDIMXNGXTCHEMA-BEVDRBHNSA-N 1 3 340.471 2.695 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366234075 476916301 /nfs/dbraw/zinc/91/63/01/476916301.db2.gz IDIMXNGXTCHEMA-BEVDRBHNSA-N 1 3 340.471 2.695 20 0 EFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000423074001 476916657 /nfs/dbraw/zinc/91/66/57/476916657.db2.gz KLXRMSXWEWYKPW-LASHMREHSA-N 1 3 332.463 2.802 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000430780674 476916937 /nfs/dbraw/zinc/91/69/37/476916937.db2.gz OCDXFIBYPJHNIV-SNRMKQJTSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000430780674 476916943 /nfs/dbraw/zinc/91/69/43/476916943.db2.gz OCDXFIBYPJHNIV-SNRMKQJTSA-N 1 3 329.488 2.703 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423077298 476917968 /nfs/dbraw/zinc/91/79/68/476917968.db2.gz SVTXZHKJCOMCMP-OTWHNJEPSA-N 1 3 333.545 2.711 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423077298 476917977 /nfs/dbraw/zinc/91/79/77/476917977.db2.gz SVTXZHKJCOMCMP-OTWHNJEPSA-N 1 3 333.545 2.711 20 0 EFADHO C[N@H+](Cc1ccccc1NC(=O)C[C@@H]1CNCCO1)C1CCCCC1 ZINC000430820861 476922418 /nfs/dbraw/zinc/92/24/18/476922418.db2.gz JUIYNNYOCWZZTC-GOSISDBHSA-N 1 3 345.487 2.768 20 0 EFADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CNCCO1)C1CCCCC1 ZINC000430820861 476922422 /nfs/dbraw/zinc/92/24/22/476922422.db2.gz JUIYNNYOCWZZTC-GOSISDBHSA-N 1 3 345.487 2.768 20 0 EFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(F)c1 ZINC000446827140 476922934 /nfs/dbraw/zinc/92/29/34/476922934.db2.gz RQOKUQCLGQFFBZ-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090565 476924281 /nfs/dbraw/zinc/92/42/81/476924281.db2.gz VQDYEYPOMOQRHT-SCRDCRAPSA-N 1 3 326.282 2.743 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(CN(C)C)c1 ZINC000452345705 476926420 /nfs/dbraw/zinc/92/64/20/476926420.db2.gz RXIUOMWKWYFLGP-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366258939 476929093 /nfs/dbraw/zinc/92/90/93/476929093.db2.gz KZGYATHIKZAYNJ-MGPQQGTHSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366258939 476929101 /nfs/dbraw/zinc/92/91/01/476929101.db2.gz KZGYATHIKZAYNJ-MGPQQGTHSA-N 1 3 336.867 2.669 20 0 EFADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1F ZINC000423115417 476933407 /nfs/dbraw/zinc/93/34/07/476933407.db2.gz NHTMUBYRMQYASE-BQUOXIOCSA-N 1 3 348.462 2.827 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000430917606 476934035 /nfs/dbraw/zinc/93/40/35/476934035.db2.gz KOSGKHWKBAMPES-CHWSQXEVSA-N 1 3 339.430 2.543 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000430917612 476934273 /nfs/dbraw/zinc/93/42/73/476934273.db2.gz KOSGKHWKBAMPES-STQMWFEESA-N 1 3 339.430 2.543 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415560482 476936427 /nfs/dbraw/zinc/93/64/27/476936427.db2.gz FVULHZKQGFJMDB-KRWDZBQOSA-N 1 3 332.492 2.690 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423127433 476937025 /nfs/dbraw/zinc/93/70/25/476937025.db2.gz TVBHQNVGLUUGCK-TUUVXOQKSA-N 1 3 330.394 2.750 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000423132343 476939067 /nfs/dbraw/zinc/93/90/67/476939067.db2.gz ULBYUAVEVAOIRM-GXTWGEPZSA-N 1 3 333.863 2.929 20 0 EFADHO CCN(C(=O)CN1CCC(C[NH2+]C)CC1)[C@H](C)c1ccc(F)cc1 ZINC000430931680 476940603 /nfs/dbraw/zinc/94/06/03/476940603.db2.gz CAPWJEFWBPOPNB-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccc1Cl ZINC000423140707 476942830 /nfs/dbraw/zinc/94/28/30/476942830.db2.gz ZFFNZIJZIHIEAI-USXIJHARSA-N 1 3 338.879 2.638 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@@H]2CN)cc1OC ZINC000423148036 476944083 /nfs/dbraw/zinc/94/40/83/476944083.db2.gz FAYRQCRCZYDVBT-CVEARBPZSA-N 1 3 336.476 2.752 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148629 476944535 /nfs/dbraw/zinc/94/45/35/476944535.db2.gz WFCJHMMQSLJRFR-BBRMVZONSA-N 1 3 344.908 2.611 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148629 476944543 /nfs/dbraw/zinc/94/45/43/476944543.db2.gz WFCJHMMQSLJRFR-BBRMVZONSA-N 1 3 344.908 2.611 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430945674 476945652 /nfs/dbraw/zinc/94/56/52/476945652.db2.gz SEHYHAZNWUPGDS-UONOGXRCSA-N 1 3 337.895 2.919 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148633 476945876 /nfs/dbraw/zinc/94/58/76/476945876.db2.gz WFCJHMMQSLJRFR-CZUORRHYSA-N 1 3 344.908 2.611 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423148633 476945882 /nfs/dbraw/zinc/94/58/82/476945882.db2.gz WFCJHMMQSLJRFR-CZUORRHYSA-N 1 3 344.908 2.611 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430945676 476946286 /nfs/dbraw/zinc/94/62/86/476946286.db2.gz SEHYHAZNWUPGDS-ZIAGYGMSSA-N 1 3 337.895 2.919 20 0 EFADHO COc1cc(CN2CCC3(CC[NH2+]C3)CC2)ccc1OC(F)F ZINC000430956371 476949096 /nfs/dbraw/zinc/94/90/96/476949096.db2.gz KMSUPASTDBPWLD-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000430955241 476949245 /nfs/dbraw/zinc/94/92/45/476949245.db2.gz LNJDBWBLFFTGAT-SJORKVTESA-N 1 3 343.515 2.873 20 0 EFADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000430957774 476949960 /nfs/dbraw/zinc/94/99/60/476949960.db2.gz UMBYIBWMTLRDJO-KGLIPLIRSA-N 1 3 337.895 2.837 20 0 EFADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423177343 476953923 /nfs/dbraw/zinc/95/39/23/476953923.db2.gz HGLAKSMAJXIXHI-MVBLQPKNSA-N 1 3 330.472 2.545 20 0 EFADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423177341 476954189 /nfs/dbraw/zinc/95/41/89/476954189.db2.gz HGLAKSMAJXIXHI-AEEMCCEDSA-N 1 3 330.472 2.545 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423177749 476956345 /nfs/dbraw/zinc/95/63/45/476956345.db2.gz HTZHNESCBXOLET-XRXFAXGQSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2NCCCN1CC[NH2+]CC1 ZINC000423187509 476957287 /nfs/dbraw/zinc/95/72/87/476957287.db2.gz XYXOSVGYWXBLBE-KRWDZBQOSA-N 1 3 337.895 2.747 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(Oc2ccccc2)cn1 ZINC000423186950 476957508 /nfs/dbraw/zinc/95/75/08/476957508.db2.gz ORVAKTBYZPJVAG-QGZVFWFLSA-N 1 3 340.471 2.820 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013201 476958762 /nfs/dbraw/zinc/95/87/62/476958762.db2.gz HSMGYAXYFBYNHA-DLBZAZTESA-N 1 3 343.515 2.890 20 0 EFADHO CCOc1cccc2cc([C@@H](C)NCCCN3CC[NH2+]CC3)oc21 ZINC000423194295 476960245 /nfs/dbraw/zinc/96/02/45/476960245.db2.gz XPJHHNRNAIYEPT-OAHLLOKOSA-N 1 3 331.460 2.777 20 0 EFADHO CCOc1cccc2cc([C@H](C)NCCCN3CC[NH2+]CC3)oc21 ZINC000423194294 476960349 /nfs/dbraw/zinc/96/03/49/476960349.db2.gz XPJHHNRNAIYEPT-HNNXBMFYSA-N 1 3 331.460 2.777 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013318 476960448 /nfs/dbraw/zinc/96/04/48/476960448.db2.gz IGPWUCOQNBJPQZ-JKSUJKDBSA-N 1 3 347.528 2.876 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000423195918 476960594 /nfs/dbraw/zinc/96/05/94/476960594.db2.gz YMHIMCRGHBESHJ-RNIPGJKVSA-N 1 3 334.508 2.881 20 0 EFADHO O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCN(C2CCCCC2)CC1 ZINC000415892312 476961076 /nfs/dbraw/zinc/96/10/76/476961076.db2.gz IBWFYANDRHPJBI-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO Cc1ccc([C@@H](C)NC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1C ZINC000431029601 476964060 /nfs/dbraw/zinc/96/40/60/476964060.db2.gz FQVUVVOSXQXPLW-QGZVFWFLSA-N 1 3 329.488 2.556 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000431063236 476969017 /nfs/dbraw/zinc/96/90/17/476969017.db2.gz YVZXFNCRJRQJED-LGKHCZOZSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000431059382 476969207 /nfs/dbraw/zinc/96/92/07/476969207.db2.gz CAJHMFCCKDDRLE-HLIPFELVSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000431066432 476969521 /nfs/dbraw/zinc/96/95/21/476969521.db2.gz TUYRAMFCARUWEH-LSTHTHJFSA-N 1 3 337.467 2.681 20 0 EFADHO CCC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCNCC1 ZINC000431076290 476972821 /nfs/dbraw/zinc/97/28/21/476972821.db2.gz JJNSKBSQCNVTTJ-UHFFFAOYSA-N 1 3 331.460 2.682 20 0 EFADHO CCC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C1CCNCC1 ZINC000431076290 476972830 /nfs/dbraw/zinc/97/28/30/476972830.db2.gz JJNSKBSQCNVTTJ-UHFFFAOYSA-N 1 3 331.460 2.682 20 0 EFADHO C[C@@H](NCC[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423260264 476976838 /nfs/dbraw/zinc/97/68/38/476976838.db2.gz PSYVHOWHLBUVSL-ZIAGYGMSSA-N 1 3 333.867 2.961 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000370768110 476977397 /nfs/dbraw/zinc/97/73/97/476977397.db2.gz YCWVXEBDLKWKJS-NXEWRWPSSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423260261 476977580 /nfs/dbraw/zinc/97/75/80/476977580.db2.gz PSYVHOWHLBUVSL-KBPBESRZSA-N 1 3 333.867 2.961 20 0 EFADHO CCC(N)(CC)C[NH2+][C@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000423288493 476983398 /nfs/dbraw/zinc/98/33/98/476983398.db2.gz SLAPKWGYKFBFCD-QGZVFWFLSA-N 1 3 331.464 2.525 20 0 EFADHO CCOC(C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000375754027 476985919 /nfs/dbraw/zinc/98/59/19/476985919.db2.gz BOXFALZPLKGYRX-HXUWFJFHSA-N 1 3 332.488 2.984 20 0 EFADHO CCOC(C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)OCC ZINC000375754027 476985923 /nfs/dbraw/zinc/98/59/23/476985923.db2.gz BOXFALZPLKGYRX-HXUWFJFHSA-N 1 3 332.488 2.984 20 0 EFADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(I)cc1 ZINC000423315167 476989751 /nfs/dbraw/zinc/98/97/51/476989751.db2.gz IPQPXKCZGWAIDI-RNCFNFMXSA-N 1 3 330.213 2.679 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423321003 476993172 /nfs/dbraw/zinc/99/31/72/476993172.db2.gz GZVORPJPZLVCCH-QINHECLXSA-N 1 3 343.515 2.908 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](C)CCN3)cc2)CC1 ZINC000423321180 476993314 /nfs/dbraw/zinc/99/33/14/476993314.db2.gz DZCGTMFBGHRDPB-XLIONFOSSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@H]([NH2+]CC1(N)CCC1)c1ccc(I)cc1 ZINC000423325807 476995711 /nfs/dbraw/zinc/99/57/11/476995711.db2.gz LTYWOLBETRYZIJ-JTQLQIEISA-N 1 3 330.213 2.823 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423328535 476995872 /nfs/dbraw/zinc/99/58/72/476995872.db2.gz KTGDFTGMOHVOQJ-BEFAXECRSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423328535 476995875 /nfs/dbraw/zinc/99/58/75/476995875.db2.gz KTGDFTGMOHVOQJ-BEFAXECRSA-N 1 3 329.488 2.805 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000423325881 476995886 /nfs/dbraw/zinc/99/58/86/476995886.db2.gz CDCJIVRRIAZJAN-OALUTQOASA-N 1 3 327.476 2.697 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423328517 476996473 /nfs/dbraw/zinc/99/64/73/476996473.db2.gz KRSULMMAASLXGG-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423328517 476996481 /nfs/dbraw/zinc/99/64/81/476996481.db2.gz KRSULMMAASLXGG-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](C)CCN2)CC1 ZINC000423335992 476997752 /nfs/dbraw/zinc/99/77/52/476997752.db2.gz QGRLSYYMRINKGD-YLJYHZDGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000423333095 476998068 /nfs/dbraw/zinc/99/80/68/476998068.db2.gz DTARQWQPWJIEJH-DNVCBOLYSA-N 1 3 325.456 2.609 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423341273 477000134 /nfs/dbraw/zinc/00/01/34/477000134.db2.gz XZBAMGFNTPZNJR-ATZDWAIDSA-N 1 3 331.504 2.559 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423356441 477004091 /nfs/dbraw/zinc/00/40/91/477004091.db2.gz JRTYQTGVRHHXFT-SJLPKXTDSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423356441 477004098 /nfs/dbraw/zinc/00/40/98/477004098.db2.gz JRTYQTGVRHHXFT-SJLPKXTDSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(N2CCOCC2)c1 ZINC000423356491 477004502 /nfs/dbraw/zinc/00/45/02/477004502.db2.gz JXVXGHYUUNXHTO-MRXNPFEDSA-N 1 3 337.467 2.977 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423356442 477004730 /nfs/dbraw/zinc/00/47/30/477004730.db2.gz JRTYQTGVRHHXFT-WMZOPIPTSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423356442 477004735 /nfs/dbraw/zinc/00/47/35/477004735.db2.gz JRTYQTGVRHHXFT-WMZOPIPTSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000423356617 477005388 /nfs/dbraw/zinc/00/53/88/477005388.db2.gz QWONRXJSDVQOSJ-WFASDCNBSA-N 1 3 339.867 2.607 20 0 EFADHO N[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C1CCC1 ZINC000423362387 477005478 /nfs/dbraw/zinc/00/54/78/477005478.db2.gz SYMVKHXJPUCISV-LJQANCHMSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccccc2OCCN(C)C)cc1 ZINC000423368350 477006395 /nfs/dbraw/zinc/00/63/95/477006395.db2.gz RWDKDPDYPMJZTK-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO CC[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CC[NH2+]C1 ZINC000370847521 477009543 /nfs/dbraw/zinc/00/95/43/477009543.db2.gz SNMNYWCWFCNNKH-HXUWFJFHSA-N 1 3 345.487 2.798 20 0 EFADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423377264 477009987 /nfs/dbraw/zinc/00/99/87/477009987.db2.gz KETBWILNSGAXAY-BZUAXINKSA-N 1 3 343.471 2.572 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H](c1ccccc1)C1CC1)N1CC[NH2+]CC1 ZINC000423375183 477010400 /nfs/dbraw/zinc/01/04/00/477010400.db2.gz CXRKOOHSFGCIOT-HOTGVXAUSA-N 1 3 327.394 2.563 20 0 EFADHO Cc1ccc(C)c([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423375190 477010459 /nfs/dbraw/zinc/01/04/59/477010459.db2.gz CXVSJWFXTYKJTO-ZBFHGGJFSA-N 1 3 329.410 2.790 20 0 EFADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423377266 477010641 /nfs/dbraw/zinc/01/06/41/477010641.db2.gz KETBWILNSGAXAY-OWCLPIDISA-N 1 3 343.471 2.572 20 0 EFADHO Cc1ccc(C)c([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423375189 477010931 /nfs/dbraw/zinc/01/09/31/477010931.db2.gz CXVSJWFXTYKJTO-HOCLYGCPSA-N 1 3 329.410 2.790 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000423381411 477012261 /nfs/dbraw/zinc/01/22/61/477012261.db2.gz FNFZZBMJXJOSPN-LFGUQSLTSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380791 477012426 /nfs/dbraw/zinc/01/24/26/477012426.db2.gz OAHGVTNBNLRLPN-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423380791 477012432 /nfs/dbraw/zinc/01/24/32/477012432.db2.gz OAHGVTNBNLRLPN-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423380203 477012704 /nfs/dbraw/zinc/01/27/04/477012704.db2.gz HBNOGUNORMGAEN-IAGOWNOFSA-N 1 3 341.421 2.880 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423394717 477014984 /nfs/dbraw/zinc/01/49/84/477014984.db2.gz ZZIMHGRPUXNKRX-FUHWJXTLSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423394717 477014990 /nfs/dbraw/zinc/01/49/90/477014990.db2.gz ZZIMHGRPUXNKRX-FUHWJXTLSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423398655 477018210 /nfs/dbraw/zinc/01/82/10/477018210.db2.gz UACRZMZOWIZPQV-FUHWJXTLSA-N 1 3 329.488 2.627 20 0 EFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423401902 477019500 /nfs/dbraw/zinc/01/95/00/477019500.db2.gz XTZYRMOEWRNQBD-HZPDHXFCSA-N 1 3 345.409 2.572 20 0 EFADHO COCC1(CN[C@@H](C)c2ncc(Br)s2)CC[NH2+]CC1 ZINC000423401640 477019533 /nfs/dbraw/zinc/01/95/33/477019533.db2.gz GKMXNICOARVWFG-JTQLQIEISA-N 1 3 348.310 2.572 20 0 EFADHO N[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403250 477020003 /nfs/dbraw/zinc/02/00/03/477020003.db2.gz XGJKMTXRZXMMDE-CTNGQTDRSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403250 477020006 /nfs/dbraw/zinc/02/00/06/477020006.db2.gz XGJKMTXRZXMMDE-CTNGQTDRSA-N 1 3 341.499 2.629 20 0 EFADHO CC1(C)CCCN[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423402973 477020024 /nfs/dbraw/zinc/02/00/24/477020024.db2.gz XWXXAHOYRYUNHA-ZWKOTPCHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423401907 477020162 /nfs/dbraw/zinc/02/01/62/477020162.db2.gz XTZYRMOEWRNQBD-JKSUJKDBSA-N 1 3 345.409 2.572 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598481 477020449 /nfs/dbraw/zinc/02/04/49/477020449.db2.gz HPGBEYBFICHAOK-SXLOBPIMSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598481 477020455 /nfs/dbraw/zinc/02/04/55/477020455.db2.gz HPGBEYBFICHAOK-SXLOBPIMSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598481 477020459 /nfs/dbraw/zinc/02/04/59/477020459.db2.gz HPGBEYBFICHAOK-SXLOBPIMSA-N 1 3 337.552 2.730 20 0 EFADHO N[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403252 477020918 /nfs/dbraw/zinc/02/09/18/477020918.db2.gz XGJKMTXRZXMMDE-FPOVZHCZSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403252 477020926 /nfs/dbraw/zinc/02/09/26/477020926.db2.gz XGJKMTXRZXMMDE-FPOVZHCZSA-N 1 3 341.499 2.629 20 0 EFADHO Fc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423404665 477021280 /nfs/dbraw/zinc/02/12/80/477021280.db2.gz ZZTXOSQQKWSJGE-JKSUJKDBSA-N 1 3 345.384 2.629 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)C2CCC2)CCCC1)c1ccccc1 ZINC000423411189 477022779 /nfs/dbraw/zinc/02/27/79/477022779.db2.gz TULKAYQQUSMOMX-QAPCUYQASA-N 1 3 329.488 2.894 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[C@@H](C)CCN2)ccc1OCC[NH+]1CCCC1 ZINC000423415114 477024337 /nfs/dbraw/zinc/02/43/37/477024337.db2.gz OOVCXNLZQNSDRG-MAUKXSAKSA-N 1 3 345.487 2.796 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420164 477028943 /nfs/dbraw/zinc/02/89/43/477028943.db2.gz BCACACDRQIDZFX-JTDSTZFVSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420164 477028946 /nfs/dbraw/zinc/02/89/46/477028946.db2.gz BCACACDRQIDZFX-JTDSTZFVSA-N 1 3 345.487 2.734 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423430143 477031376 /nfs/dbraw/zinc/03/13/76/477031376.db2.gz HYJFYCWGQHYPMX-AEFFLSMTSA-N 1 3 331.504 2.903 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423430143 477031380 /nfs/dbraw/zinc/03/13/80/477031380.db2.gz HYJFYCWGQHYPMX-AEFFLSMTSA-N 1 3 331.504 2.903 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3NCCCC3(C)C)cc21 ZINC000423430847 477032137 /nfs/dbraw/zinc/03/21/37/477032137.db2.gz UQFIFOIUHPROQS-GOSISDBHSA-N 1 3 342.487 2.920 20 0 EFADHO c1ccc2c(c1)CCN[C@@H]2CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423437261 477032706 /nfs/dbraw/zinc/03/27/06/477032706.db2.gz UFCFHJIJDPTVLR-VWPQPMDRSA-N 1 3 349.478 2.719 20 0 EFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000423451685 477036195 /nfs/dbraw/zinc/03/61/95/477036195.db2.gz ITAWWSCVTSOXNE-XZOAIXRZSA-N 1 3 335.879 2.637 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000423445569 477036632 /nfs/dbraw/zinc/03/66/32/477036632.db2.gz YKIQZHIUGXKSNT-JRGCBEDISA-N 1 3 345.531 2.600 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000423445569 477036638 /nfs/dbraw/zinc/03/66/38/477036638.db2.gz YKIQZHIUGXKSNT-JRGCBEDISA-N 1 3 345.531 2.600 20 0 EFADHO CSc1ccccc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423451651 477037214 /nfs/dbraw/zinc/03/72/14/477037214.db2.gz IPSJSUFJEAGJCI-CRFBAAHOSA-N 1 3 347.528 2.706 20 0 EFADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423468761 477040868 /nfs/dbraw/zinc/04/08/68/477040868.db2.gz UUOQXNXVDLUTTQ-BJJXKVORSA-N 1 3 331.439 2.883 20 0 EFADHO Cc1c([C@H](C)NC[C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423468766 477041698 /nfs/dbraw/zinc/04/16/98/477041698.db2.gz UUOQXNXVDLUTTQ-JGGQBBKZSA-N 1 3 331.439 2.883 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)CC1 ZINC000366500539 477043133 /nfs/dbraw/zinc/04/31/33/477043133.db2.gz LNQANGPXYXOWGZ-HOCLYGCPSA-N 1 3 343.487 2.798 20 0 EFADHO C[C@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC000423528158 477064282 /nfs/dbraw/zinc/06/42/82/477064282.db2.gz NENSCIVRDDEPFB-KVJIRVJXSA-N 1 3 335.495 2.995 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+][C@@H]2CNC[C@H]2c2ccccc2)cc1OC ZINC000423529577 477065024 /nfs/dbraw/zinc/06/50/24/477065024.db2.gz OQYUHUQZARGNCT-ZYSHUDEJSA-N 1 3 340.467 2.980 20 0 EFADHO NC1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423531566 477065482 /nfs/dbraw/zinc/06/54/82/477065482.db2.gz SUMCUYFDPRFFQV-KWKJMZLKSA-N 1 3 332.410 2.840 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536288 477067163 /nfs/dbraw/zinc/06/71/63/477067163.db2.gz ZIYVBJDQNSXURV-XYEHWOGUSA-N 1 3 335.495 2.852 20 0 EFADHO CC(C)(C)C(=O)N1CCC([NH2+]CC2(N)C3CC4CC(C3)CC2C4)CC1 ZINC000423534205 477067458 /nfs/dbraw/zinc/06/74/58/477067458.db2.gz ZPJZYXALWQAAOY-UHFFFAOYSA-N 1 3 347.547 2.767 20 0 EFADHO CC(C)(C)C(=O)N1CCC(NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000423534205 477067463 /nfs/dbraw/zinc/06/74/63/477067463.db2.gz ZPJZYXALWQAAOY-UHFFFAOYSA-N 1 3 347.547 2.767 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000423535971 477067726 /nfs/dbraw/zinc/06/77/26/477067726.db2.gz YUBOIESVBLONLX-FCHUYYIVSA-N 1 3 335.495 2.996 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416225137 477078655 /nfs/dbraw/zinc/07/86/55/477078655.db2.gz RSXGGCVPZGPRRZ-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1 ZINC000416238236 477085477 /nfs/dbraw/zinc/08/54/77/477085477.db2.gz HMJPVZGBAWNZSG-KVPLUYHFSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](CNC(=O)C[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000431754954 477089763 /nfs/dbraw/zinc/08/97/63/477089763.db2.gz BDCBAMSTDWKSNO-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431777481 477094370 /nfs/dbraw/zinc/09/43/70/477094370.db2.gz BKBGKUSQSXTACY-IEBWSBKVSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431777481 477094390 /nfs/dbraw/zinc/09/43/90/477094390.db2.gz BKBGKUSQSXTACY-IEBWSBKVSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431777482 477094564 /nfs/dbraw/zinc/09/45/64/477094564.db2.gz BKBGKUSQSXTACY-MJGOQNOKSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431777482 477094569 /nfs/dbraw/zinc/09/45/69/477094569.db2.gz BKBGKUSQSXTACY-MJGOQNOKSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000447955471 477100842 /nfs/dbraw/zinc/10/08/42/477100842.db2.gz PGEOOWZGSKWAGQ-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000447955471 477100849 /nfs/dbraw/zinc/10/08/49/477100849.db2.gz PGEOOWZGSKWAGQ-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000447955472 477100882 /nfs/dbraw/zinc/10/08/82/477100882.db2.gz PGEOOWZGSKWAGQ-ZACQAIPSSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000447955472 477100887 /nfs/dbraw/zinc/10/08/87/477100887.db2.gz PGEOOWZGSKWAGQ-ZACQAIPSSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000447974714 477108343 /nfs/dbraw/zinc/10/83/43/477108343.db2.gz FRLOROPMUYRIDU-KRWDZBQOSA-N 1 3 338.540 2.526 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3C3CCCC3)CC[C@@H]21 ZINC000431860120 477110484 /nfs/dbraw/zinc/11/04/84/477110484.db2.gz UEJFBJFKCFUJQR-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3C3CCCC3)CC[C@@H]21 ZINC000431860120 477110487 /nfs/dbraw/zinc/11/04/87/477110487.db2.gz UEJFBJFKCFUJQR-NZSAHSFTSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C3CCCC3)CC[C@@H]21 ZINC000431860119 477110761 /nfs/dbraw/zinc/11/07/61/477110761.db2.gz UEJFBJFKCFUJQR-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C3CCCC3)CC[C@@H]21 ZINC000431860119 477110767 /nfs/dbraw/zinc/11/07/67/477110767.db2.gz UEJFBJFKCFUJQR-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000448034984 477121192 /nfs/dbraw/zinc/12/11/92/477121192.db2.gz MXIFXFXMRLOFMN-INIZCTEOSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000423723156 477122847 /nfs/dbraw/zinc/12/28/47/477122847.db2.gz GXMPYHBORQCZGD-KXBFYZLASA-N 1 3 325.456 2.701 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423731916 477126278 /nfs/dbraw/zinc/12/62/78/477126278.db2.gz RRXWTZZQFSKFGD-JFRXWTBNSA-N 1 3 329.488 2.940 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423731916 477126283 /nfs/dbraw/zinc/12/62/83/477126283.db2.gz RRXWTZZQFSKFGD-JFRXWTBNSA-N 1 3 329.488 2.940 20 0 EFADHO C[C@@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCC[NH2+]1 ZINC000423735160 477127927 /nfs/dbraw/zinc/12/79/27/477127927.db2.gz AGCSKXNUHSGRHA-NRFANRHFSA-N 1 3 343.515 2.686 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411154211 477130425 /nfs/dbraw/zinc/13/04/25/477130425.db2.gz DFNVMKBDIBHQEZ-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423751603 477133332 /nfs/dbraw/zinc/13/33/32/477133332.db2.gz VFNCJBQFSNKVIY-FQEVSTJZSA-N 1 3 343.515 2.686 20 0 EFADHO C[C@@H](C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000423757940 477135360 /nfs/dbraw/zinc/13/53/60/477135360.db2.gz NDLZTXBKKTVUHX-CABCVRRESA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423769530 477137984 /nfs/dbraw/zinc/13/79/84/477137984.db2.gz YPXNCFSESUDOQV-JLYLLQBASA-N 1 3 347.478 2.637 20 0 EFADHO O=C(C[NH2+]CC1CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423765016 477138921 /nfs/dbraw/zinc/13/89/21/477138921.db2.gz WOBCKYOWHULFOF-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423770410 477139843 /nfs/dbraw/zinc/13/98/43/477139843.db2.gz DHIFTBPCUGDUOV-GUXCAODWSA-N 1 3 337.467 2.957 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423786928 477145102 /nfs/dbraw/zinc/14/51/02/477145102.db2.gz VUEGAZZBTGLPLL-FUHIMQAGSA-N 1 3 343.515 2.649 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423789025 477145137 /nfs/dbraw/zinc/14/51/37/477145137.db2.gz YEDNIKKWDSWMJI-PHXBYCTMSA-N 1 3 329.488 2.531 20 0 EFADHO N[C@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000448236653 477147885 /nfs/dbraw/zinc/14/78/85/477147885.db2.gz BTNZQGRCDFXCGG-LJQANCHMSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCCCC1 ZINC000448261560 477153134 /nfs/dbraw/zinc/15/31/34/477153134.db2.gz QIDNODHJPVDUPB-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCCC[C@@H]1C ZINC000457705108 477154093 /nfs/dbraw/zinc/15/40/93/477154093.db2.gz KSENGLBSJZOQBQ-HOTGVXAUSA-N 1 3 326.529 2.669 20 0 EFADHO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218259 477157047 /nfs/dbraw/zinc/15/70/47/477157047.db2.gz BQNBMFZRQWENDE-APWZRJJASA-N 1 3 329.488 2.758 20 0 EFADHO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218259 477157053 /nfs/dbraw/zinc/15/70/53/477157053.db2.gz BQNBMFZRQWENDE-APWZRJJASA-N 1 3 329.488 2.758 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074593 477160902 /nfs/dbraw/zinc/16/09/02/477160902.db2.gz URZHZYIIOKDHIP-XUVXKRRUSA-N 1 3 343.515 2.936 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074593 477160908 /nfs/dbraw/zinc/16/09/08/477160908.db2.gz URZHZYIIOKDHIP-XUVXKRRUSA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)(O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411228421 477162088 /nfs/dbraw/zinc/16/20/88/477162088.db2.gz MFDADFBFCQVROV-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423843024 477180486 /nfs/dbraw/zinc/18/04/86/477180486.db2.gz HZCLQGLFYIUAKL-AYBZRNKSSA-N 1 3 344.503 2.631 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457765404 477186782 /nfs/dbraw/zinc/18/67/82/477186782.db2.gz XFRMJVCZSPWXRU-UHFFFAOYSA-N 1 3 329.488 2.994 20 0 EFADHO C[C@H]1C[N@H+](CCCNCc2ccc(F)c3cccnc23)CCCO1 ZINC000432355728 477201119 /nfs/dbraw/zinc/20/11/19/477201119.db2.gz FTQPHGRZXUUHIG-HNNXBMFYSA-N 1 3 331.435 2.964 20 0 EFADHO C[C@H]1C[N@@H+](CCCNCc2ccc(F)c3cccnc23)CCCO1 ZINC000432355728 477201132 /nfs/dbraw/zinc/20/11/32/477201132.db2.gz FTQPHGRZXUUHIG-HNNXBMFYSA-N 1 3 331.435 2.964 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000423899134 477206605 /nfs/dbraw/zinc/20/66/05/477206605.db2.gz IYAQIMCPCJHUKE-SQNIBIBYSA-N 1 3 329.488 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@@H](N)c3ccccc3)CC[C@@H]21 ZINC000423899134 477206612 /nfs/dbraw/zinc/20/66/12/477206612.db2.gz IYAQIMCPCJHUKE-SQNIBIBYSA-N 1 3 329.488 2.655 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423899428 477206731 /nfs/dbraw/zinc/20/67/31/477206731.db2.gz IZFPWQHTZTXXFM-IPMKNSEASA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423899428 477206736 /nfs/dbraw/zinc/20/67/36/477206736.db2.gz IZFPWQHTZTXXFM-IPMKNSEASA-N 1 3 343.515 2.873 20 0 EFADHO CC[NH+]1CCC(NC(=O)CNC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000411369861 477207490 /nfs/dbraw/zinc/20/74/90/477207490.db2.gz YUISUHGSOAIDPK-UHFFFAOYSA-N 1 3 337.895 2.765 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000423899129 477207567 /nfs/dbraw/zinc/20/75/67/477207567.db2.gz IYAQIMCPCJHUKE-KURKYZTESA-N 1 3 329.488 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(C)(C)[C@@H](N)c3ccccc3)CC[C@H]21 ZINC000423899129 477207570 /nfs/dbraw/zinc/20/75/70/477207570.db2.gz IYAQIMCPCJHUKE-KURKYZTESA-N 1 3 329.488 2.655 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453341403 477207755 /nfs/dbraw/zinc/20/77/55/477207755.db2.gz LMRXCXMEIKYIDL-CVEARBPZSA-N 1 3 330.476 2.642 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423904444 477210108 /nfs/dbraw/zinc/21/01/08/477210108.db2.gz OESZSQCKJKWTSD-SZVBFZGTSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000423904444 477210114 /nfs/dbraw/zinc/21/01/14/477210114.db2.gz OESZSQCKJKWTSD-SZVBFZGTSA-N 1 3 329.488 2.531 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000423904052 477210246 /nfs/dbraw/zinc/21/02/46/477210246.db2.gz NULIEEHSWYGLDR-BHIYHBOVSA-N 1 3 333.520 2.759 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000423904052 477210252 /nfs/dbraw/zinc/21/02/52/477210252.db2.gz NULIEEHSWYGLDR-BHIYHBOVSA-N 1 3 333.520 2.759 20 0 EFADHO C[C@H]1CN(CCC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000432407823 477211398 /nfs/dbraw/zinc/21/13/98/477211398.db2.gz PODIAHIIAUBGIG-PZJWPPBQSA-N 1 3 345.531 2.742 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909573 477211684 /nfs/dbraw/zinc/21/16/84/477211684.db2.gz UDOLFOHGWJAIPN-AABGKKOBSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909573 477211689 /nfs/dbraw/zinc/21/16/89/477211689.db2.gz UDOLFOHGWJAIPN-AABGKKOBSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000371274527 477211784 /nfs/dbraw/zinc/21/17/84/477211784.db2.gz WCYJOGFJOZKOIS-ZWKOTPCHSA-N 1 3 343.515 2.544 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907623 477212121 /nfs/dbraw/zinc/21/21/21/477212121.db2.gz RMGYBELXJZSBHD-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907623 477212126 /nfs/dbraw/zinc/21/21/26/477212126.db2.gz RMGYBELXJZSBHD-VAMGGRTRSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cccc(OCCN(C)C)c1 ZINC000453358267 477212538 /nfs/dbraw/zinc/21/25/38/477212538.db2.gz SIHKXHNRGAUUEJ-JKSUJKDBSA-N 1 3 330.476 2.642 20 0 EFADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453383432 477218095 /nfs/dbraw/zinc/21/80/95/477218095.db2.gz SPTQCUOJQHOOFY-MTFMMBMASA-N 1 3 343.515 2.791 20 0 EFADHO COC[C@](C)(CC(=O)OC)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411396076 477218657 /nfs/dbraw/zinc/21/86/57/477218657.db2.gz WQAXJGDGLSWXDR-FQEVSTJZSA-N 1 3 348.487 2.730 20 0 EFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)C1(C(N)=O)CCCC1 ZINC000411403306 477221874 /nfs/dbraw/zinc/22/18/74/477221874.db2.gz BEQBDKYZEICTBJ-UHFFFAOYSA-N 1 3 329.488 2.902 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000453415798 477226084 /nfs/dbraw/zinc/22/60/84/477226084.db2.gz UCFFAERYDWHYFN-LWYYNNOASA-N 1 3 343.515 2.791 20 0 EFADHO C[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@@]1(C)C[NH3+] ZINC000423974304 477240881 /nfs/dbraw/zinc/24/08/81/477240881.db2.gz HTOXNYNPJHYWHO-BFUOFWGJSA-N 1 3 329.444 2.551 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000411461564 477243887 /nfs/dbraw/zinc/24/38/87/477243887.db2.gz WMTIXFJKRZUILG-QGZVFWFLSA-N 1 3 345.531 2.931 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000411475538 477250028 /nfs/dbraw/zinc/25/00/28/477250028.db2.gz DRVAWMNSMUXTJC-FQEVSTJZSA-N 1 3 347.478 2.775 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](Cc3ccccc3N(C)C)CC2)CC1 ZINC000371349586 477259219 /nfs/dbraw/zinc/25/92/19/477259219.db2.gz KFZPVXCVJANFFA-UHFFFAOYSA-N 1 3 344.547 2.743 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000424014041 477260889 /nfs/dbraw/zinc/26/08/89/477260889.db2.gz SYLWSSMGEYVZSX-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000411526683 477265988 /nfs/dbraw/zinc/26/59/88/477265988.db2.gz MWRXGCPAFNPWFJ-MRXNPFEDSA-N 1 3 343.515 2.817 20 0 EFADHO C[C@@H](C(=O)NC(C)(C)CC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000424047578 477273036 /nfs/dbraw/zinc/27/30/36/477273036.db2.gz OITRXIXLSFNTGG-INIZCTEOSA-N 1 3 331.504 2.573 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000376336342 477289685 /nfs/dbraw/zinc/28/96/85/477289685.db2.gz LVASDQJCWQQDEW-MJGOQNOKSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411611118 477293384 /nfs/dbraw/zinc/29/33/84/477293384.db2.gz CHQZBTHHMHPWRN-SFHVURJKSA-N 1 3 327.472 2.639 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458162225 477296745 /nfs/dbraw/zinc/29/67/45/477296745.db2.gz HYVWPFPDVOBFMZ-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458162225 477296754 /nfs/dbraw/zinc/29/67/54/477296754.db2.gz HYVWPFPDVOBFMZ-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411624380 477297273 /nfs/dbraw/zinc/29/72/73/477297273.db2.gz XJJPSCHJNPBKNX-AABGKKOBSA-N 1 3 341.499 2.758 20 0 EFADHO Cc1ccc(C)c(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027008 477304580 /nfs/dbraw/zinc/30/45/80/477304580.db2.gz DTSCJFNOOPKTGN-WOJBJXKFSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027008 477304584 /nfs/dbraw/zinc/30/45/84/477304584.db2.gz DTSCJFNOOPKTGN-WOJBJXKFSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000367027008 477304591 /nfs/dbraw/zinc/30/45/91/477304591.db2.gz DTSCJFNOOPKTGN-WOJBJXKFSA-N 1 3 345.531 2.640 20 0 EFADHO CCC[C@@H]1CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448832516 477306894 /nfs/dbraw/zinc/30/68/94/477306894.db2.gz DBHTYRRCDICDGM-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783411 477309441 /nfs/dbraw/zinc/30/94/41/477309441.db2.gz HCCAOJGZAAZDLB-RBUKOAKNSA-N 1 3 346.519 2.838 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416791538 477312106 /nfs/dbraw/zinc/31/21/06/477312106.db2.gz JUUJMNZODBJRTE-QGZVFWFLSA-N 1 3 346.519 2.857 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416791713 477312310 /nfs/dbraw/zinc/31/23/10/477312310.db2.gz XDKAEYSSOHPBDQ-QZTJIDSGSA-N 1 3 332.492 2.640 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000416802364 477314938 /nfs/dbraw/zinc/31/49/38/477314938.db2.gz HMBSAHLVGZDZJU-GOSISDBHSA-N 1 3 334.508 2.667 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccsc2)CC1 ZINC000458194281 477315344 /nfs/dbraw/zinc/31/53/44/477315344.db2.gz ADFCNBOAMMYIOY-UHFFFAOYSA-N 1 3 337.533 2.759 20 0 EFADHO C[C@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc2c(s1)CCCC2 ZINC000371446271 477324311 /nfs/dbraw/zinc/32/43/11/477324311.db2.gz CHEHGTUKQFEXCM-GJZGRUSLSA-N 1 3 348.560 2.841 20 0 EFADHO COC[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCO1 ZINC000411683533 477325979 /nfs/dbraw/zinc/32/59/79/477325979.db2.gz ZKJITEFCAPRTJH-WOJBJXKFSA-N 1 3 332.488 2.956 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416831281 477326710 /nfs/dbraw/zinc/32/67/10/477326710.db2.gz ASXLKVPEDAICML-NZSAHSFTSA-N 1 3 346.519 2.757 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000416848409 477336104 /nfs/dbraw/zinc/33/61/04/477336104.db2.gz WNQXIMJDYBCZKU-QGZVFWFLSA-N 1 3 332.492 2.511 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416849221 477336734 /nfs/dbraw/zinc/33/67/34/477336734.db2.gz XLDOMWIAMUNUTD-RBUKOAKNSA-N 1 3 348.535 2.867 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416849280 477336825 /nfs/dbraw/zinc/33/68/25/477336825.db2.gz XTYPNNXTQHHKLH-GJZGRUSLSA-N 1 3 338.521 2.558 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)c2ccccc2OCCN(C)C)c1 ZINC000424235799 477337776 /nfs/dbraw/zinc/33/77/76/477337776.db2.gz IJBSXJCNLPUEMJ-UHFFFAOYSA-N 1 3 327.428 2.646 20 0 EFADHO CC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000416851245 477338118 /nfs/dbraw/zinc/33/81/18/477338118.db2.gz LAEMMAGSLMOJIC-GOSISDBHSA-N 1 3 332.492 2.593 20 0 EFADHO CC[NH+]1CCC(NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000416851246 477338213 /nfs/dbraw/zinc/33/82/13/477338213.db2.gz LAEMMAGSLMOJIC-SFHVURJKSA-N 1 3 332.492 2.593 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000416874769 477347529 /nfs/dbraw/zinc/34/75/29/477347529.db2.gz PSMRXPPJMXXHJK-IBGZPJMESA-N 1 3 346.519 2.670 20 0 EFADHO OC1CC[NH+](CCCN[C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424270470 477350326 /nfs/dbraw/zinc/35/03/26/477350326.db2.gz QMVVUXVQFCGZIR-SFHVURJKSA-N 1 3 345.512 2.863 20 0 EFADHO Cc1cnn(CC2CCN(C[C@@H](C[NH3+])c3ccc(F)cc3)CC2)c1 ZINC000424280044 477353323 /nfs/dbraw/zinc/35/33/23/477353323.db2.gz GWPKIXXQWGREPC-GOSISDBHSA-N 1 3 330.451 2.785 20 0 EFADHO Cc1cnn(CC2CC[NH+](C[C@@H](CN)c3ccc(F)cc3)CC2)c1 ZINC000424280044 477353329 /nfs/dbraw/zinc/35/33/29/477353329.db2.gz GWPKIXXQWGREPC-GOSISDBHSA-N 1 3 330.451 2.785 20 0 EFADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424284678 477355398 /nfs/dbraw/zinc/35/53/98/477355398.db2.gz DNUXDORDVUWJOJ-LSDHHAIUSA-N 1 3 349.906 2.981 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000416897746 477359601 /nfs/dbraw/zinc/35/96/01/477359601.db2.gz XYMPHEVYLNXUJL-UHFFFAOYSA-N 1 3 346.519 2.799 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1c3ccccc3CC[C@H]1C)CC[NH2+]CC2 ZINC000424302511 477362702 /nfs/dbraw/zinc/36/27/02/477362702.db2.gz ZRRCXUJYRWPVLY-IAGOWNOFSA-N 1 3 341.499 2.818 20 0 EFADHO CCc1cccc(C)c1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302546 477363492 /nfs/dbraw/zinc/36/34/92/477363492.db2.gz ZVNXMONBTIXWJZ-MRXNPFEDSA-N 1 3 329.488 2.960 20 0 EFADHO O=C(CCCc1ccccc1)NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000424370402 477380714 /nfs/dbraw/zinc/38/07/14/477380714.db2.gz DTEPZEGBNUEBFU-XUVXKRRUSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CC2(CN1Cc1cnn(-c3ccc(F)cc3)c1)CC[NH2+]CC2 ZINC000424370809 477381723 /nfs/dbraw/zinc/38/17/23/477381723.db2.gz CSYFIOSEZVBVSI-HNNXBMFYSA-N 1 3 328.435 2.975 20 0 EFADHO COc1cc(OC)c(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424387037 477385656 /nfs/dbraw/zinc/38/56/56/477385656.db2.gz XZLNHWXVVCKPMT-AWEZNQCLSA-N 1 3 334.460 2.676 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCCNCC2)cc1 ZINC000416978033 477400835 /nfs/dbraw/zinc/40/08/35/477400835.db2.gz QOJMMKHIRKCLTN-QGZVFWFLSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCCNCC2)cc1 ZINC000416978033 477400842 /nfs/dbraw/zinc/40/08/42/477400842.db2.gz QOJMMKHIRKCLTN-QGZVFWFLSA-N 1 3 344.503 2.566 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416978379 477400975 /nfs/dbraw/zinc/40/09/75/477400975.db2.gz QTCCERYAAQFRCB-UHFFFAOYSA-N 1 3 346.519 2.510 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424434369 477405350 /nfs/dbraw/zinc/40/53/50/477405350.db2.gz GPEIQZBLLSTRRH-SFHVURJKSA-N 1 3 338.455 2.850 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000416984933 477406011 /nfs/dbraw/zinc/40/60/11/477406011.db2.gz YFPSMEKEQDBRQC-LJQANCHMSA-N 1 3 346.519 2.776 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454866189 477410492 /nfs/dbraw/zinc/41/04/92/477410492.db2.gz BEKRDFBQXIQNKE-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCCN1C1CC1 ZINC000454869615 477411301 /nfs/dbraw/zinc/41/13/01/477411301.db2.gz WOINZLZBCPYNID-GOSISDBHSA-N 1 3 336.524 2.569 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424451543 477412172 /nfs/dbraw/zinc/41/21/72/477412172.db2.gz DUERPMAVZOCMPI-RTBURBONSA-N 1 3 344.503 2.529 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000424452129 477412606 /nfs/dbraw/zinc/41/26/06/477412606.db2.gz GJPLBECGHQYLEY-GUDVDZBRSA-N 1 3 344.503 2.701 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cccc2ccccc21 ZINC000436052256 477412913 /nfs/dbraw/zinc/41/29/13/477412913.db2.gz NRPURKDJAQTBOG-SFHVURJKSA-N 1 3 325.456 2.659 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1CCCc1ccc(Cl)cc1 ZINC000436066986 477414868 /nfs/dbraw/zinc/41/48/68/477414868.db2.gz RZWAXHVOWHYORA-QGZVFWFLSA-N 1 3 337.895 2.592 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000416999919 477415966 /nfs/dbraw/zinc/41/59/66/477415966.db2.gz CMKOPRRVUQASQI-HNNXBMFYSA-N 1 3 338.521 2.572 20 0 EFADHO C[C@H](C[NH2+]CCCN1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449067023 477419975 /nfs/dbraw/zinc/41/99/75/477419975.db2.gz HPAOWWOTHDZFCO-MRXNPFEDSA-N 1 3 338.517 2.659 20 0 EFADHO C[C@H](CNCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449067023 477419982 /nfs/dbraw/zinc/41/99/82/477419982.db2.gz HPAOWWOTHDZFCO-MRXNPFEDSA-N 1 3 338.517 2.659 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccsc1 ZINC000417006599 477420217 /nfs/dbraw/zinc/42/02/17/477420217.db2.gz JUSBOOQGRRBEOM-HIFRSBDPSA-N 1 3 326.510 2.558 20 0 EFADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449073329 477422533 /nfs/dbraw/zinc/42/25/33/477422533.db2.gz IDJDGPLIFWFQAQ-AWEZNQCLSA-N 1 3 328.435 2.800 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)c1ccsc1 ZINC000417012124 477422646 /nfs/dbraw/zinc/42/26/46/477422646.db2.gz VTZUBAUCOARLPS-IIAWOOMASA-N 1 3 338.521 2.523 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@H]1C)c1ccsc1 ZINC000417012124 477422652 /nfs/dbraw/zinc/42/26/52/477422652.db2.gz VTZUBAUCOARLPS-IIAWOOMASA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C)c1ccsc1 ZINC000417012124 477422656 /nfs/dbraw/zinc/42/26/56/477422656.db2.gz VTZUBAUCOARLPS-IIAWOOMASA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccsc1 ZINC000417012561 477422703 /nfs/dbraw/zinc/42/27/03/477422703.db2.gz XEPJIAANTDFGNK-SQWLQELKSA-N 1 3 338.521 2.510 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417021756 477426961 /nfs/dbraw/zinc/42/69/61/477426961.db2.gz KDSKCEOCJSWQED-OALUTQOASA-N 1 3 344.503 2.655 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCCC2 ZINC000367279503 477428086 /nfs/dbraw/zinc/42/80/86/477428086.db2.gz WUYIXGGHGWULOW-RTBURBONSA-N 1 3 347.503 2.849 20 0 EFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccncc3F)cc2)CC1 ZINC000449083878 477429015 /nfs/dbraw/zinc/42/90/15/477429015.db2.gz VUAPLPWYUZQEFF-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCC[C@@H](C)C1 ZINC000417025178 477430102 /nfs/dbraw/zinc/43/01/02/477430102.db2.gz XUDJVWVZHSCEIL-LMMKCTJWSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccnn2C2CCCC2)C[C@H](C)O1 ZINC000449105541 477440170 /nfs/dbraw/zinc/44/01/70/477440170.db2.gz YTPNVMFILRZVSG-CALCHBBNSA-N 1 3 334.508 2.977 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417219501 477448693 /nfs/dbraw/zinc/44/86/93/477448693.db2.gz WDHGZVJXTZLKED-MJGOQNOKSA-N 1 3 346.519 2.757 20 0 EFADHO CCCN(C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417223805 477449653 /nfs/dbraw/zinc/44/96/53/477449653.db2.gz SZYSOOUADKXGJW-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+](C)C ZINC000458508332 477456414 /nfs/dbraw/zinc/45/64/14/477456414.db2.gz OVFPIQINPLUPIW-SJLPKXTDSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([S@@](C)=O)CCC3)CC2)C1 ZINC000436298501 477457020 /nfs/dbraw/zinc/45/70/20/477457020.db2.gz ZYFHLUBKORNKBF-ZDPZECHZSA-N 1 3 326.550 2.920 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000449147404 477459078 /nfs/dbraw/zinc/45/90/78/477459078.db2.gz GPSDCSURVUXECU-HNNXBMFYSA-N 1 3 325.522 2.663 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436313288 477460766 /nfs/dbraw/zinc/46/07/66/477460766.db2.gz LPCAWOUGQQPPRN-RTBURBONSA-N 1 3 331.435 2.774 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000449160952 477462664 /nfs/dbraw/zinc/46/26/64/477462664.db2.gz NNHWSXLSVRCXPZ-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000449160953 477463422 /nfs/dbraw/zinc/46/34/22/477463422.db2.gz NNHWSXLSVRCXPZ-QGZVFWFLSA-N 1 3 337.483 2.740 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000449163771 477465212 /nfs/dbraw/zinc/46/52/12/477465212.db2.gz WWYPRSZTAVUWFR-QGZVFWFLSA-N 1 3 337.483 2.740 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449165597 477466649 /nfs/dbraw/zinc/46/66/49/477466649.db2.gz AITBDOGLHGIONY-SOLBZPMBSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449165597 477466654 /nfs/dbraw/zinc/46/66/54/477466654.db2.gz AITBDOGLHGIONY-SOLBZPMBSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000418345005 477469982 /nfs/dbraw/zinc/46/99/82/477469982.db2.gz GVGJUPRCQIPLGG-MSOLQXFVSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000418344952 477470363 /nfs/dbraw/zinc/47/03/63/477470363.db2.gz GSCDDTHZUPEVDD-CADBVGFASA-N 1 3 344.503 2.579 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000418367926 477472203 /nfs/dbraw/zinc/47/22/03/477472203.db2.gz ZZSUZGDURFRSPC-LPHOPBHVSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000418367926 477472210 /nfs/dbraw/zinc/47/22/10/477472210.db2.gz ZZSUZGDURFRSPC-LPHOPBHVSA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000418358470 477472915 /nfs/dbraw/zinc/47/29/15/477472915.db2.gz RMHXQXHQDPKDJF-OALUTQOASA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000418358470 477472919 /nfs/dbraw/zinc/47/29/19/477472919.db2.gz RMHXQXHQDPKDJF-OALUTQOASA-N 1 3 346.519 2.934 20 0 EFADHO CCn1nnc(C)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449179705 477472968 /nfs/dbraw/zinc/47/29/68/477472968.db2.gz WMFJGUSAHYYVFP-MAUKXSAKSA-N 1 3 327.476 2.749 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418416594 477473404 /nfs/dbraw/zinc/47/34/04/477473404.db2.gz QYKGDXZXCOSKQW-IEBWSBKVSA-N 1 3 346.519 2.666 20 0 EFADHO CN(C(=O)NC1CCC([NH3+])CC1)C1CCN(Cc2ccccc2)CC1 ZINC000418408219 477474401 /nfs/dbraw/zinc/47/44/01/477474401.db2.gz ULRUOEQMCFATNQ-UHFFFAOYSA-N 1 3 344.503 2.562 20 0 EFADHO CCCN(C(=O)NC[C@H](C)C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418485341 477475864 /nfs/dbraw/zinc/47/58/64/477475864.db2.gz GYKNFAWKRWUEHP-MJGOQNOKSA-N 1 3 346.519 2.667 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418462177 477475892 /nfs/dbraw/zinc/47/58/92/477475892.db2.gz NAHDVIBIWJCHMP-INIZCTEOSA-N 1 3 338.540 2.671 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cc3c(cccc3F)[nH]2)ccn1 ZINC000436409952 477476969 /nfs/dbraw/zinc/47/69/69/477476969.db2.gz ZTBMDNFHEMWUKY-UHFFFAOYSA-N 1 3 342.418 2.932 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN(C2CC2)C1 ZINC000418677535 477483019 /nfs/dbraw/zinc/48/30/19/477483019.db2.gz RXHZVINKOIAZRK-LPHOPBHVSA-N 1 3 344.503 2.592 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436470725 477485519 /nfs/dbraw/zinc/48/55/19/477485519.db2.gz NYBLDRPWQGIJBW-AEFFLSMTSA-N 1 3 344.503 2.723 20 0 EFADHO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436470728 477486319 /nfs/dbraw/zinc/48/63/19/477486319.db2.gz NYBLDRPWQGIJBW-WMZOPIPTSA-N 1 3 344.503 2.723 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449219873 477492732 /nfs/dbraw/zinc/49/27/32/477492732.db2.gz OQKHPRIIXCTJSP-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449224047 477493743 /nfs/dbraw/zinc/49/37/43/477493743.db2.gz ZJZLVJDNBWQXAO-UHFFFAOYSA-N 1 3 333.520 2.839 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449223334 477494570 /nfs/dbraw/zinc/49/45/70/477494570.db2.gz XXLSNMUNNUOJGT-HNNXBMFYSA-N 1 3 338.517 2.658 20 0 EFADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc2ccccc21 ZINC000449301343 477533932 /nfs/dbraw/zinc/53/39/32/477533932.db2.gz GZOPKQWKCGNPHN-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO COc1cc(C)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449324426 477547503 /nfs/dbraw/zinc/54/75/03/477547503.db2.gz FKRHKPKCTOAUFW-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO COc1cc(C)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000449324426 477547512 /nfs/dbraw/zinc/54/75/12/477547512.db2.gz FKRHKPKCTOAUFW-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO COc1cc(C)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000449324426 477547518 /nfs/dbraw/zinc/54/75/18/477547518.db2.gz FKRHKPKCTOAUFW-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458739556 477567799 /nfs/dbraw/zinc/56/77/99/477567799.db2.gz LLXHYOJVYSMRSA-HNNXBMFYSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000458788416 477597420 /nfs/dbraw/zinc/59/74/20/477597420.db2.gz YESADCOOFNBFTC-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000458788416 477597425 /nfs/dbraw/zinc/59/74/25/477597425.db2.gz YESADCOOFNBFTC-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1c[nH+]ccc1N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367732548 477662306 /nfs/dbraw/zinc/66/23/06/477662306.db2.gz ATBDMCHTYQHROO-HXUWFJFHSA-N 1 3 336.483 2.787 20 0 EFADHO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420301661 477674337 /nfs/dbraw/zinc/67/43/37/477674337.db2.gz ISLFWBIZJKFKGZ-HBMCJLEFSA-N 1 3 340.467 2.763 20 0 EFADHO COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420301661 477674344 /nfs/dbraw/zinc/67/43/44/477674344.db2.gz ISLFWBIZJKFKGZ-HBMCJLEFSA-N 1 3 340.467 2.763 20 0 EFADHO CN(CC[C@H]1CCC[NH2+]C1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000420301143 477674603 /nfs/dbraw/zinc/67/46/03/477674603.db2.gz LBXCQHGKOSKLQF-GFCCVEGCSA-N 1 3 342.386 2.838 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](C)CCN(C)c2ccccc2)cc1 ZINC000420307881 477678816 /nfs/dbraw/zinc/67/88/16/477678816.db2.gz CAXWVYIEUOFHDP-SFHVURJKSA-N 1 3 327.472 2.806 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](C)CCN(C)c2ccccc2)cc1 ZINC000420307881 477678824 /nfs/dbraw/zinc/67/88/24/477678824.db2.gz CAXWVYIEUOFHDP-SFHVURJKSA-N 1 3 327.472 2.806 20 0 EFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420308462 477679390 /nfs/dbraw/zinc/67/93/90/477679390.db2.gz SHDKIYYRLWLXEO-PBHICJAKSA-N 1 3 335.879 2.767 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000420308609 477680486 /nfs/dbraw/zinc/68/04/86/477680486.db2.gz CWBZGNSWGDZKKV-SKINQDTJSA-N 1 3 345.531 2.934 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311413 477681532 /nfs/dbraw/zinc/68/15/32/477681532.db2.gz VVBKLQDTFJXSKN-GHTZIAJQSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311413 477681536 /nfs/dbraw/zinc/68/15/36/477681536.db2.gz VVBKLQDTFJXSKN-GHTZIAJQSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311413 477681540 /nfs/dbraw/zinc/68/15/40/477681540.db2.gz VVBKLQDTFJXSKN-GHTZIAJQSA-N 1 3 340.467 2.719 20 0 EFADHO COC(=O)c1cc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2o1 ZINC000420310809 477682353 /nfs/dbraw/zinc/68/23/53/477682353.db2.gz QEYMUIKFTCTRTN-BPUTZDHNSA-N 1 3 328.412 2.779 20 0 EFADHO CCO[C@H]1C[C@H]([N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312438 477684259 /nfs/dbraw/zinc/68/42/59/477684259.db2.gz WZICQNHASITIGX-MUGJNUQGSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@H]1C[C@H]([N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)C12CCCC2 ZINC000420312438 477684264 /nfs/dbraw/zinc/68/42/64/477684264.db2.gz WZICQNHASITIGX-MUGJNUQGSA-N 1 3 346.515 2.587 20 0 EFADHO CCO[C@H]1C[C@H](N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C12CCCC2 ZINC000420312438 477684270 /nfs/dbraw/zinc/68/42/70/477684270.db2.gz WZICQNHASITIGX-MUGJNUQGSA-N 1 3 346.515 2.587 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317271 477688980 /nfs/dbraw/zinc/68/89/80/477688980.db2.gz MTDRTPOVXPYFSK-MJGOQNOKSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317271 477688988 /nfs/dbraw/zinc/68/89/88/477688988.db2.gz MTDRTPOVXPYFSK-MJGOQNOKSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000420317271 477688993 /nfs/dbraw/zinc/68/89/93/477688993.db2.gz MTDRTPOVXPYFSK-MJGOQNOKSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317273 477689011 /nfs/dbraw/zinc/68/90/11/477689011.db2.gz MTDRTPOVXPYFSK-PKOBYXMFSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317273 477689015 /nfs/dbraw/zinc/68/90/15/477689015.db2.gz MTDRTPOVXPYFSK-PKOBYXMFSA-N 1 3 325.456 2.924 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000420317273 477689020 /nfs/dbraw/zinc/68/90/20/477689020.db2.gz MTDRTPOVXPYFSK-PKOBYXMFSA-N 1 3 325.456 2.924 20 0 EFADHO CC[C@@H](C)N(CC[C@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420317123 477689049 /nfs/dbraw/zinc/68/90/49/477689049.db2.gz NFPDDMFHIYABNL-HUUCEWRRSA-N 1 3 328.460 2.936 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320703 477691209 /nfs/dbraw/zinc/69/12/09/477691209.db2.gz BPJUTJOQUFZMOK-BJLQDIEVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420323661 477692409 /nfs/dbraw/zinc/69/24/09/477692409.db2.gz GPPAPEPCSGNTEZ-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000420324974 477694363 /nfs/dbraw/zinc/69/43/63/477694363.db2.gz VWELVXOOVIBYLZ-JQAFLVLXSA-N 1 3 329.271 2.883 20 0 EFADHO CSc1ccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420323980 477694386 /nfs/dbraw/zinc/69/43/86/477694386.db2.gz AJBHKBYJBFNTFD-KFWWJZLASA-N 1 3 333.501 2.667 20 0 EFADHO CCOc1ccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420330887 477699898 /nfs/dbraw/zinc/69/98/98/477699898.db2.gz IIOUQQRRIVYYSI-IYBDPMFKSA-N 1 3 342.443 2.567 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1CN ZINC000420330337 477700133 /nfs/dbraw/zinc/70/01/33/477700133.db2.gz HWMMFGFDBRJZQE-JSGCOSHPSA-N 1 3 339.867 2.736 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1CN ZINC000420330337 477700136 /nfs/dbraw/zinc/70/01/36/477700136.db2.gz HWMMFGFDBRJZQE-JSGCOSHPSA-N 1 3 339.867 2.736 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420333001 477701875 /nfs/dbraw/zinc/70/18/75/477701875.db2.gz DVLRLGDOWAQOFU-WSTZPKSXSA-N 1 3 341.499 2.502 20 0 EFADHO CCC[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420332402 477702404 /nfs/dbraw/zinc/70/24/04/477702404.db2.gz JITSOTJJPKSAFE-RSPOEFSDSA-N 1 3 343.515 2.964 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Cl)c1 ZINC000420334820 477703775 /nfs/dbraw/zinc/70/37/75/477703775.db2.gz ULJBORCBJUVJMZ-IIDMSEBBSA-N 1 3 347.890 2.767 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336627 477706129 /nfs/dbraw/zinc/70/61/29/477706129.db2.gz IYPTUQQNRALIAO-INDMIFKZSA-N 1 3 343.515 2.882 20 0 EFADHO CC(C)(C)c1ccccc1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335600 477706642 /nfs/dbraw/zinc/70/66/42/477706642.db2.gz LSYPLHGWLGANQC-IYBDPMFKSA-N 1 3 329.488 2.854 20 0 EFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338992 477706940 /nfs/dbraw/zinc/70/69/40/477706940.db2.gz LGASBRXDMUOPEM-QLFBSQMISA-N 1 3 335.879 2.989 20 0 EFADHO Cc1cccc(C)c1OCCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340267 477708804 /nfs/dbraw/zinc/70/88/04/477708804.db2.gz ZUAISILYLCGKFA-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cccc(C)c1OCCC[N@@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420340267 477708806 /nfs/dbraw/zinc/70/88/06/477708806.db2.gz ZUAISILYLCGKFA-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cccc(C)c1OCCC[N@H+]1C[C@H](CN)C2(C1)CCOCC2 ZINC000420340267 477708815 /nfs/dbraw/zinc/70/88/15/477708815.db2.gz ZUAISILYLCGKFA-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339622 477708862 /nfs/dbraw/zinc/70/88/62/477708862.db2.gz MCZSZHFEQBZPSU-ZVDOUQERSA-N 1 3 343.515 2.821 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339613 477709674 /nfs/dbraw/zinc/70/96/74/477709674.db2.gz MCZSZHFEQBZPSU-DYXWJJEUSA-N 1 3 343.515 2.821 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000426446450 477710113 /nfs/dbraw/zinc/71/01/13/477710113.db2.gz XYSKQSNQFGNWHV-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000426446450 477710119 /nfs/dbraw/zinc/71/01/19/477710119.db2.gz XYSKQSNQFGNWHV-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO c1ccc2cc(OCCCN3CC[C@H](N4CC[NH2+]CC4)C3)ccc2c1 ZINC000420346175 477712953 /nfs/dbraw/zinc/71/29/53/477712953.db2.gz CIUGOPRIPAYHAL-FQEVSTJZSA-N 1 3 339.483 2.588 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420347058 477715031 /nfs/dbraw/zinc/71/50/31/477715031.db2.gz ZWYGFWCJRZNSOZ-ZCNNSNEGSA-N 1 3 343.515 2.918 20 0 EFADHO CC(C)C[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420347339 477715194 /nfs/dbraw/zinc/71/51/94/477715194.db2.gz YBYTVNTYZNLWAB-ZCNNSNEGSA-N 1 3 343.515 2.821 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC(c3cc(C)[nH]n3)CC2)cc1 ZINC000420370549 477729855 /nfs/dbraw/zinc/72/98/55/477729855.db2.gz JNCCYEIGLHVTPB-KRWDZBQOSA-N 1 3 328.460 2.649 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000420375208 477731260 /nfs/dbraw/zinc/73/12/60/477731260.db2.gz ILVIKODQOWORDO-MSOLQXFVSA-N 1 3 338.879 2.937 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420380064 477735099 /nfs/dbraw/zinc/73/50/99/477735099.db2.gz BQLNGURIKUALCP-QUCCMNQESA-N 1 3 332.488 2.901 20 0 EFADHO C[C@]1(CNC(=O)C23CCCN2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000377319353 477737350 /nfs/dbraw/zinc/73/73/50/477737350.db2.gz CXCRGZKPGIKMAR-HXUWFJFHSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@]1(CNC(=O)C23CCCN2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000377319353 477737356 /nfs/dbraw/zinc/73/73/56/477737356.db2.gz CXCRGZKPGIKMAR-HXUWFJFHSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000420390238 477741822 /nfs/dbraw/zinc/74/18/22/477741822.db2.gz ZCPBGNMDLKRRAE-AZUAARDMSA-N 1 3 332.488 2.901 20 0 EFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000420392690 477744881 /nfs/dbraw/zinc/74/48/81/477744881.db2.gz JDAIBYDZZNTVIS-SUMWQHHRSA-N 1 3 337.414 2.757 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420410583 477754217 /nfs/dbraw/zinc/75/42/17/477754217.db2.gz XZMFHPUUUMEILQ-CRAIPNDOSA-N 1 3 333.451 2.927 20 0 EFADHO C[C@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000420422826 477756754 /nfs/dbraw/zinc/75/67/54/477756754.db2.gz ZTSZHKGJEQEOQR-QWHCGFSZSA-N 1 3 343.393 2.951 20 0 EFADHO CC[C@H](C(=O)N(CC[NH+](CC)CC)Cc1cccs1)N(C)C ZINC000413626440 477757156 /nfs/dbraw/zinc/75/71/56/477757156.db2.gz LYPJSTHEYRUYNW-MRXNPFEDSA-N 1 3 325.522 2.759 20 0 EFADHO CN(c1ccccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CCN(C)CC1 ZINC000438004397 477785754 /nfs/dbraw/zinc/78/57/54/477785754.db2.gz QREIMMIMIZFYTD-KDURUIRLSA-N 1 3 342.531 2.543 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)ccc21 ZINC000455936474 477787418 /nfs/dbraw/zinc/78/74/18/477787418.db2.gz RYNLBXZBYBBARQ-MJGOQNOKSA-N 1 3 340.471 2.714 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000438071166 477792037 /nfs/dbraw/zinc/79/20/37/477792037.db2.gz HGNIAQZKAZKOJF-LJQANCHMSA-N 1 3 331.504 2.605 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000438078952 477793416 /nfs/dbraw/zinc/79/34/16/477793416.db2.gz VCESYWYEJFCYKI-OAQYLSRUSA-N 1 3 345.531 2.601 20 0 EFADHO c1cc(C[N@H+]2CCC[C@H]2CN2CCCC2)ccc1CN1CCOCC1 ZINC000420901907 477807448 /nfs/dbraw/zinc/80/74/48/477807448.db2.gz LLNOXPIWRNEWRZ-NRFANRHFSA-N 1 3 343.515 2.579 20 0 EFADHO c1cc(C[N@@H+]2CCC[C@H]2CN2CCCC2)ccc1CN1CCOCC1 ZINC000420901907 477807455 /nfs/dbraw/zinc/80/74/55/477807455.db2.gz LLNOXPIWRNEWRZ-NRFANRHFSA-N 1 3 343.515 2.579 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438321063 477822136 /nfs/dbraw/zinc/82/21/36/477822136.db2.gz DLIRHWMMFQBLJX-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438321063 477822147 /nfs/dbraw/zinc/82/21/47/477822147.db2.gz DLIRHWMMFQBLJX-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438348823 477830519 /nfs/dbraw/zinc/83/05/19/477830519.db2.gz UBTIWYFIPBIYCD-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438348823 477830529 /nfs/dbraw/zinc/83/05/29/477830529.db2.gz UBTIWYFIPBIYCD-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438348825 477831107 /nfs/dbraw/zinc/83/11/07/477831107.db2.gz UBTIWYFIPBIYCD-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438348825 477831118 /nfs/dbraw/zinc/83/11/18/477831118.db2.gz UBTIWYFIPBIYCD-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000515644573 477849856 /nfs/dbraw/zinc/84/98/56/477849856.db2.gz APWQIOBOSPKIRU-DFQSSKMNSA-N 1 3 343.515 2.847 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000438533824 477860382 /nfs/dbraw/zinc/86/03/82/477860382.db2.gz MIFPEXNBTWRMPO-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000459356886 477863303 /nfs/dbraw/zinc/86/33/03/477863303.db2.gz JBTRFZIKAIYOSU-INIZCTEOSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000515837886 477866232 /nfs/dbraw/zinc/86/62/32/477866232.db2.gz HFRVJRVNUQJOJU-IEBWSBKVSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000515837886 477866238 /nfs/dbraw/zinc/86/62/38/477866238.db2.gz HFRVJRVNUQJOJU-IEBWSBKVSA-N 1 3 331.504 2.717 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000420972373 477866860 /nfs/dbraw/zinc/86/68/60/477866860.db2.gz APVPEGCJSDMFOB-UHFFFAOYSA-N 1 3 337.458 2.957 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000493880223 477869923 /nfs/dbraw/zinc/86/99/23/477869923.db2.gz LLDMLGKBRCXKQV-MRXNPFEDSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H](C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)[C@H](C)[NH3+] ZINC000493897763 477871971 /nfs/dbraw/zinc/87/19/71/477871971.db2.gz QYHWZGVWAFMIBJ-RVKKMQEKSA-N 1 3 331.504 2.559 20 0 EFADHO Cc1cc(CNCCCC[NH+]2CCN(Cc3ccccc3)CC2)no1 ZINC000459390640 477882597 /nfs/dbraw/zinc/88/25/97/477882597.db2.gz NEOGZIVURXPXQF-UHFFFAOYSA-N 1 3 342.487 2.671 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000461803147 477885534 /nfs/dbraw/zinc/88/55/34/477885534.db2.gz XKOGSIOTDSOMFY-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000461803147 477885541 /nfs/dbraw/zinc/88/55/41/477885541.db2.gz XKOGSIOTDSOMFY-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459400652 477888379 /nfs/dbraw/zinc/88/83/79/477888379.db2.gz BKPNPQLGUVTGEF-UHFFFAOYSA-N 1 3 340.471 2.627 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3ccccc3OC2)C[C@H](C)O1 ZINC000493977576 477893814 /nfs/dbraw/zinc/89/38/14/477893814.db2.gz OQIPXQFJDZBGNX-ZIFCJYIRSA-N 1 3 332.488 2.859 20 0 EFADHO CC[C@@]1(O)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000428446112 477897343 /nfs/dbraw/zinc/89/73/43/477897343.db2.gz JFBHHCZIFUWHCN-HXUWFJFHSA-N 1 3 331.504 2.564 20 0 EFADHO CC[C@@]1(O)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000428446112 477897351 /nfs/dbraw/zinc/89/73/51/477897351.db2.gz JFBHHCZIFUWHCN-HXUWFJFHSA-N 1 3 331.504 2.564 20 0 EFADHO c1cc(N2CCC([NH2+][C@H]3CCN(CC4CCCC4)C3)CC2)ccn1 ZINC000459420764 477899611 /nfs/dbraw/zinc/89/96/11/477899611.db2.gz IPJKIOVKTHRSIF-IBGZPJMESA-N 1 3 328.504 2.905 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000516175188 477901255 /nfs/dbraw/zinc/90/12/55/477901255.db2.gz HBKWDLKPTXWTJK-VQTJNVASSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000516175188 477901258 /nfs/dbraw/zinc/90/12/58/477901258.db2.gz HBKWDLKPTXWTJK-VQTJNVASSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000516175188 477901268 /nfs/dbraw/zinc/90/12/68/477901268.db2.gz HBKWDLKPTXWTJK-VQTJNVASSA-N 1 3 334.504 2.522 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000558640753 477902591 /nfs/dbraw/zinc/90/25/91/477902591.db2.gz GDNCUPYVUHBCLJ-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000558640753 477902599 /nfs/dbraw/zinc/90/25/99/477902599.db2.gz GDNCUPYVUHBCLJ-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@H](CCN1CCC[C@H](CCO)CC1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421014010 477903514 /nfs/dbraw/zinc/90/35/14/477903514.db2.gz JWXKVEVQFDZPMY-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CCN1CCC[C@H](CCO)CC1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014010 477903526 /nfs/dbraw/zinc/90/35/26/477903526.db2.gz JWXKVEVQFDZPMY-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@@H+]1CCC[C@H](CCO)CC1)N1CCC[C@H](CCO)CC1 ZINC000421014010 477903537 /nfs/dbraw/zinc/90/35/37/477903537.db2.gz JWXKVEVQFDZPMY-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@H+]1CCC[C@H](CCO)CC1)N1CCC[C@H](CCO)CC1 ZINC000421014010 477903543 /nfs/dbraw/zinc/90/35/43/477903543.db2.gz JWXKVEVQFDZPMY-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CCN1CCC[C@@H](CCO)CC1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421014015 477903690 /nfs/dbraw/zinc/90/36/90/477903690.db2.gz JWXKVEVQFDZPMY-VAMGGRTRSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CCN1CCC[C@@H](CCO)CC1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014015 477903695 /nfs/dbraw/zinc/90/36/95/477903695.db2.gz JWXKVEVQFDZPMY-VAMGGRTRSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@@H+]1CCC[C@@H](CCO)CC1)N1CCC[C@@H](CCO)CC1 ZINC000421014015 477903700 /nfs/dbraw/zinc/90/37/00/477903700.db2.gz JWXKVEVQFDZPMY-VAMGGRTRSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@H+]1CCC[C@@H](CCO)CC1)N1CCC[C@@H](CCO)CC1 ZINC000421014015 477903707 /nfs/dbraw/zinc/90/37/07/477903707.db2.gz JWXKVEVQFDZPMY-VAMGGRTRSA-N 1 3 340.552 2.734 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC000494070918 477915092 /nfs/dbraw/zinc/91/50/92/477915092.db2.gz ZHKZGVRIKWWQTC-NZSAHSFTSA-N 1 3 331.504 2.886 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[NH+](CC)CC ZINC000494070917 477916049 /nfs/dbraw/zinc/91/60/49/477916049.db2.gz ZHKZGVRIKWWQTC-BHIYHBOVSA-N 1 3 331.504 2.886 20 0 EFADHO CC(C)OCC[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459470102 477920983 /nfs/dbraw/zinc/92/09/83/477920983.db2.gz DWTSXDWLKNGHRN-QGZVFWFLSA-N 1 3 343.471 2.533 20 0 EFADHO CC(C)OCC[C@@H](O)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000459470102 477920990 /nfs/dbraw/zinc/92/09/90/477920990.db2.gz DWTSXDWLKNGHRN-QGZVFWFLSA-N 1 3 343.471 2.533 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000439082951 477927588 /nfs/dbraw/zinc/92/75/88/477927588.db2.gz FTGDUHRUUDEUBO-ZFWWWQNUSA-N 1 3 331.460 2.789 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532485083 477935763 /nfs/dbraw/zinc/93/57/63/477935763.db2.gz QYPWKEPWTUDZQG-CXAGYDPISA-N 1 3 335.879 2.504 20 0 EFADHO CN1C[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)Cc2ccccc21 ZINC000459517196 477950015 /nfs/dbraw/zinc/95/00/15/477950015.db2.gz QTBKQXICWFRQNZ-QGZVFWFLSA-N 1 3 336.483 2.949 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)CC1 ZINC000532584243 477950488 /nfs/dbraw/zinc/95/04/88/477950488.db2.gz LWUKOENUSIATLU-MJGOQNOKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)CC1 ZINC000532584243 477950494 /nfs/dbraw/zinc/95/04/94/477950494.db2.gz LWUKOENUSIATLU-MJGOQNOKSA-N 1 3 343.515 2.760 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000465458085 477976312 /nfs/dbraw/zinc/97/63/12/477976312.db2.gz YMABPXVMSIMODW-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000465458085 477976323 /nfs/dbraw/zinc/97/63/23/477976323.db2.gz YMABPXVMSIMODW-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(CCc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000459564831 477979217 /nfs/dbraw/zinc/97/92/17/477979217.db2.gz SPRAJHPMOYIXFU-MRXNPFEDSA-N 1 3 335.923 2.983 20 0 EFADHO C[C@H](C(=O)NCC[NH2+]C(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC000439491968 477990912 /nfs/dbraw/zinc/99/09/12/477990912.db2.gz FQFZVFMMHCQEBO-QGZVFWFLSA-N 1 3 345.531 2.834 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000494496889 477997296 /nfs/dbraw/zinc/99/72/96/477997296.db2.gz QOCOJQZRUFFVKE-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000494496889 477997308 /nfs/dbraw/zinc/99/73/08/477997308.db2.gz QOCOJQZRUFFVKE-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000459643053 478020516 /nfs/dbraw/zinc/02/05/16/478020516.db2.gz TYQZVPJKSGBFRX-LJQANCHMSA-N 1 3 332.536 2.799 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000421355821 478049954 /nfs/dbraw/zinc/04/99/54/478049954.db2.gz VJWXBRNXIFPNFL-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1C[C@H](CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000421355821 478049960 /nfs/dbraw/zinc/04/99/60/478049960.db2.gz VJWXBRNXIFPNFL-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000494706092 478051482 /nfs/dbraw/zinc/05/14/82/478051482.db2.gz CVHROBFKRCCFKJ-WBVHZDCISA-N 1 3 335.467 2.671 20 0 EFADHO CC1CCN([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000517098820 478051547 /nfs/dbraw/zinc/05/15/47/478051547.db2.gz SWIUXYVRNJXNNF-RTBURBONSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440001816 478059372 /nfs/dbraw/zinc/05/93/72/478059372.db2.gz NFUCVCRRFNWVNG-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C2CCCC2)C1 ZINC000440001816 478059377 /nfs/dbraw/zinc/05/93/77/478059377.db2.gz NFUCVCRRFNWVNG-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)c(OC)c3)CC2)CC1 ZINC000421373409 478062095 /nfs/dbraw/zinc/06/20/95/478062095.db2.gz MOHMXVNAEVHXFA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C)c(OC)c3)CC2)CC1 ZINC000421373409 478062101 /nfs/dbraw/zinc/06/21/01/478062101.db2.gz MOHMXVNAEVHXFA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)c(OC)c3)CC2)CC1 ZINC000421373409 478062105 /nfs/dbraw/zinc/06/21/05/478062105.db2.gz MOHMXVNAEVHXFA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000459729320 478062346 /nfs/dbraw/zinc/06/23/46/478062346.db2.gz IZQLMGSNPTXELY-GFCCVEGCSA-N 1 3 342.386 2.838 20 0 EFADHO C[N@H+]1CCC[C@H](CCNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000459729320 478062354 /nfs/dbraw/zinc/06/23/54/478062354.db2.gz IZQLMGSNPTXELY-GFCCVEGCSA-N 1 3 342.386 2.838 20 0 EFADHO C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@H]1C[NH3+] ZINC000429131431 478063787 /nfs/dbraw/zinc/06/37/87/478063787.db2.gz BUYLHQMDYNCDNQ-SUMDDJOVSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@H](NC[C@H]1CSCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000517229711 478067404 /nfs/dbraw/zinc/06/74/04/478067404.db2.gz IOKXJRNRWVJDBS-UHOSZYNNSA-N 1 3 333.545 2.582 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)c2)n1 ZINC000517391407 478088229 /nfs/dbraw/zinc/08/82/29/478088229.db2.gz RMDDVPDLJRYAJF-HUUCEWRRSA-N 1 3 345.468 2.956 20 0 EFADHO CCC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCC1 ZINC000459791063 478093897 /nfs/dbraw/zinc/09/38/97/478093897.db2.gz HFFUBXAHVQJATB-RTBURBONSA-N 1 3 331.504 2.964 20 0 EFADHO C[C@@H]1C[NH+](CC2CCN(C/C=C\c3ccncc3)CC2)C[C@@H](C)O1 ZINC000494988124 478098526 /nfs/dbraw/zinc/09/85/26/478098526.db2.gz WYNCHGNGHYCCSF-GRFNRIFCSA-N 1 3 329.488 2.916 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(C/C=C\c3ccncc3)CC2)C[C@H](C)O1 ZINC000494988122 478098776 /nfs/dbraw/zinc/09/87/76/478098776.db2.gz WYNCHGNGHYCCSF-FEFURNDJSA-N 1 3 329.488 2.916 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(C/C=C\c3ccncc3)CC2)C[C@H](C)O1 ZINC000494988122 478098789 /nfs/dbraw/zinc/09/87/89/478098789.db2.gz WYNCHGNGHYCCSF-FEFURNDJSA-N 1 3 329.488 2.916 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000440279426 478102084 /nfs/dbraw/zinc/10/20/84/478102084.db2.gz SMSXUWUIKWOCQQ-IBGZPJMESA-N 1 3 333.520 2.917 20 0 EFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1NC(C)=O ZINC000560527321 478105055 /nfs/dbraw/zinc/10/50/55/478105055.db2.gz FJXIUUORYJUYEO-JFIYKMOQSA-N 1 3 331.460 2.616 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000517740294 478119512 /nfs/dbraw/zinc/11/95/12/478119512.db2.gz BQGXREIRRWDPKB-OKZBNKHCSA-N 1 3 340.556 2.582 20 0 EFADHO CCN(Cc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000429388833 478127091 /nfs/dbraw/zinc/12/70/91/478127091.db2.gz TVGKESOQZQUPOG-INIZCTEOSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429414650 478132019 /nfs/dbraw/zinc/13/20/19/478132019.db2.gz CBURDICQHOTGBP-NEWSRXKRSA-N 1 3 333.545 2.534 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000429414650 478132024 /nfs/dbraw/zinc/13/20/24/478132024.db2.gz CBURDICQHOTGBP-NEWSRXKRSA-N 1 3 333.545 2.534 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C1 ZINC000560979483 478143512 /nfs/dbraw/zinc/14/35/12/478143512.db2.gz OVXBBIXCSZUWCB-SJORKVTESA-N 1 3 346.500 2.857 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000518135181 478145639 /nfs/dbraw/zinc/14/56/39/478145639.db2.gz XSISFFFEXMXREC-HUUCEWRRSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCCC[C@H]1C ZINC000518135181 478145643 /nfs/dbraw/zinc/14/56/43/478145643.db2.gz XSISFFFEXMXREC-HUUCEWRRSA-N 1 3 330.476 2.717 20 0 EFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccccc1 ZINC000561060216 478148423 /nfs/dbraw/zinc/14/84/23/478148423.db2.gz GREYZVNDQYKKSN-MOPGFXCFSA-N 1 3 336.439 2.857 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc12 ZINC000534347011 478148319 /nfs/dbraw/zinc/14/83/19/478148319.db2.gz SGMNBQOCRVLICC-UHFFFAOYSA-N 1 3 329.492 2.829 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCC(C[N@H+](C)C(C)C)CC3)cc12 ZINC000534347011 478148323 /nfs/dbraw/zinc/14/83/23/478148323.db2.gz SGMNBQOCRVLICC-UHFFFAOYSA-N 1 3 329.492 2.829 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000429551154 478151184 /nfs/dbraw/zinc/15/11/84/478151184.db2.gz WTHBELKDVYMJKR-MRXNPFEDSA-N 1 3 325.403 2.710 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000429551154 478151188 /nfs/dbraw/zinc/15/11/88/478151188.db2.gz WTHBELKDVYMJKR-MRXNPFEDSA-N 1 3 325.403 2.710 20 0 EFADHO CN(CCCN(C)C(=O)c1ccccc1C[NH+](C)C)Cc1ccco1 ZINC000488460774 478151943 /nfs/dbraw/zinc/15/19/43/478151943.db2.gz PJHHVPYTUJPKBO-UHFFFAOYSA-N 1 3 343.471 2.935 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)CN2CCC(C)(C)C2)c1 ZINC000561159845 478159196 /nfs/dbraw/zinc/15/91/96/478159196.db2.gz RKNKCVWLHHGWND-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CN1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H]1c1ccccc1 ZINC000561192347 478164434 /nfs/dbraw/zinc/16/44/34/478164434.db2.gz OYKNEGJERISZGO-KSZLIROESA-N 1 3 344.503 2.509 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccccc3F)CC2)CC1 ZINC000518393248 478164584 /nfs/dbraw/zinc/16/45/84/478164584.db2.gz BHSUUCFKJWGBJE-UHFFFAOYSA-N 1 3 333.451 2.961 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(CCCCCn3cccn3)CC2)CC1 ZINC000441071594 478192652 /nfs/dbraw/zinc/19/26/52/478192652.db2.gz ZDKRRVHIRDNJLR-UHFFFAOYSA-N 1 3 347.551 2.544 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429200 478195860 /nfs/dbraw/zinc/19/58/60/478195860.db2.gz GKBVDCBRHASRQV-OAHLLOKOSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429200 478195865 /nfs/dbraw/zinc/19/58/65/478195865.db2.gz GKBVDCBRHASRQV-OAHLLOKOSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNCC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495429200 478195869 /nfs/dbraw/zinc/19/58/69/478195869.db2.gz GKBVDCBRHASRQV-OAHLLOKOSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762384 478202870 /nfs/dbraw/zinc/20/28/70/478202870.db2.gz SXJCIKCHHXOFFG-HNJRGHQBSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762384 478202873 /nfs/dbraw/zinc/20/28/73/478202873.db2.gz SXJCIKCHHXOFFG-HNJRGHQBSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561954940 478209759 /nfs/dbraw/zinc/20/97/59/478209759.db2.gz KIXXNWGDLNXFBU-IHPCNDPISA-N 1 3 342.483 2.931 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561954940 478209761 /nfs/dbraw/zinc/20/97/61/478209761.db2.gz KIXXNWGDLNXFBU-IHPCNDPISA-N 1 3 342.483 2.931 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344008 478221076 /nfs/dbraw/zinc/22/10/76/478221076.db2.gz MWVVECSFLXTJFL-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344008 478221078 /nfs/dbraw/zinc/22/10/78/478221078.db2.gz MWVVECSFLXTJFL-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344007 478221208 /nfs/dbraw/zinc/22/12/08/478221208.db2.gz MWVVECSFLXTJFL-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344007 478221212 /nfs/dbraw/zinc/22/12/12/478221212.db2.gz MWVVECSFLXTJFL-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489246688 478227076 /nfs/dbraw/zinc/22/70/76/478227076.db2.gz IMCZNRPZLPEEBP-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489246688 478227081 /nfs/dbraw/zinc/22/70/81/478227081.db2.gz IMCZNRPZLPEEBP-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489246686 478227543 /nfs/dbraw/zinc/22/75/43/478227543.db2.gz IMCZNRPZLPEEBP-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489246686 478227545 /nfs/dbraw/zinc/22/75/45/478227545.db2.gz IMCZNRPZLPEEBP-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000519631852 478243258 /nfs/dbraw/zinc/24/32/58/478243258.db2.gz AMQFLIOLAQDQFQ-VNTMZGSJSA-N 1 3 340.471 2.723 20 0 EFADHO C(NC1CCC(OC2CCCC2)CC1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000570082336 478278713 /nfs/dbraw/zinc/27/87/13/478278713.db2.gz XLKAQRRCEQPSJY-UHFFFAOYSA-N 1 3 347.507 2.632 20 0 EFADHO CC1CC[NH+](CCCNC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000520202982 478282082 /nfs/dbraw/zinc/28/20/82/478282082.db2.gz WENCDDFJWBFMLF-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2CCCC2)cc1 ZINC000579415259 478289417 /nfs/dbraw/zinc/28/94/17/478289417.db2.gz GRVIXQDKXWYCSF-UHFFFAOYSA-N 1 3 331.504 2.910 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCCCC4)CC2)CC1 ZINC000520251783 478289601 /nfs/dbraw/zinc/28/96/01/478289601.db2.gz MMUYZCJRIKOYTG-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](NCCCC[NH+](C)C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495753752 478302633 /nfs/dbraw/zinc/30/26/33/478302633.db2.gz NLFRSAWNEPNFBC-AWEZNQCLSA-N 1 3 336.480 2.843 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000520400656 478306293 /nfs/dbraw/zinc/30/62/93/478306293.db2.gz OJFSEWNQNNOZSW-LJQANCHMSA-N 1 3 325.456 2.845 20 0 EFADHO O=C([C@@H]1CCCCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000579475037 478306451 /nfs/dbraw/zinc/30/64/51/478306451.db2.gz COZRJZNMSFLIIT-FQEVSTJZSA-N 1 3 343.515 2.686 20 0 EFADHO CC(C)[NH2+]CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000520403198 478306543 /nfs/dbraw/zinc/30/65/43/478306543.db2.gz NKPIRAFLCILOOG-NRFANRHFSA-N 1 3 343.515 2.889 20 0 EFADHO CN1CCC[C@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000537610646 478319551 /nfs/dbraw/zinc/31/95/51/478319551.db2.gz ASTBFNGYGJKWTB-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000537610646 478319559 /nfs/dbraw/zinc/31/95/59/478319559.db2.gz ASTBFNGYGJKWTB-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000520541350 478322317 /nfs/dbraw/zinc/32/23/17/478322317.db2.gz HZOSTOIVQYSVKD-QAPCUYQASA-N 1 3 346.500 2.857 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000490379781 478335115 /nfs/dbraw/zinc/33/51/15/478335115.db2.gz UEINOGYXSAWZSS-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000490379781 478335124 /nfs/dbraw/zinc/33/51/24/478335124.db2.gz UEINOGYXSAWZSS-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000570381265 478347272 /nfs/dbraw/zinc/34/72/72/478347272.db2.gz NVGYJNKAIBTNDG-AWEZNQCLSA-N 1 3 330.476 2.922 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNC3)C1 ZINC000570381265 478347281 /nfs/dbraw/zinc/34/72/81/478347281.db2.gz NVGYJNKAIBTNDG-AWEZNQCLSA-N 1 3 330.476 2.922 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 ZINC000570383223 478347482 /nfs/dbraw/zinc/34/74/82/478347482.db2.gz HVNIKMNKXXYIQJ-HZPDHXFCSA-N 1 3 344.503 2.722 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000590819048 478354162 /nfs/dbraw/zinc/35/41/62/478354162.db2.gz VSUKYPMDONZSHV-SFHVURJKSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000590819048 478354171 /nfs/dbraw/zinc/35/41/71/478354171.db2.gz VSUKYPMDONZSHV-SFHVURJKSA-N 1 3 345.531 2.786 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399748 478356980 /nfs/dbraw/zinc/35/69/80/478356980.db2.gz GWMCZYHUTIAOOT-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399748 478356991 /nfs/dbraw/zinc/35/69/91/478356991.db2.gz GWMCZYHUTIAOOT-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399748 478356998 /nfs/dbraw/zinc/35/69/98/478356998.db2.gz GWMCZYHUTIAOOT-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc3nc[nH]c3c2)[C@H](C)C1 ZINC000538399748 478357001 /nfs/dbraw/zinc/35/70/01/478357001.db2.gz GWMCZYHUTIAOOT-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc3nc[nH]c3c2)[C@H](C)C1 ZINC000538399748 478357007 /nfs/dbraw/zinc/35/70/07/478357007.db2.gz GWMCZYHUTIAOOT-WBVHZDCISA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399747 478357605 /nfs/dbraw/zinc/35/76/05/478357605.db2.gz GWMCZYHUTIAOOT-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399747 478357610 /nfs/dbraw/zinc/35/76/10/478357610.db2.gz GWMCZYHUTIAOOT-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc3[nH]cnc3c2)[C@@H](C)C1 ZINC000538399747 478357617 /nfs/dbraw/zinc/35/76/17/478357617.db2.gz GWMCZYHUTIAOOT-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc3nc[nH]c3c2)[C@@H](C)C1 ZINC000538399747 478357623 /nfs/dbraw/zinc/35/76/23/478357623.db2.gz GWMCZYHUTIAOOT-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCc2ccc3nc[nH]c3c2)[C@@H](C)C1 ZINC000538399747 478357627 /nfs/dbraw/zinc/35/76/27/478357627.db2.gz GWMCZYHUTIAOOT-RDJZCZTQSA-N 1 3 330.476 2.790 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000538393670 478357829 /nfs/dbraw/zinc/35/78/29/478357829.db2.gz OYNNIRLIONVZRK-VAMGGRTRSA-N 1 3 346.515 2.963 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1C ZINC000570443992 478359960 /nfs/dbraw/zinc/35/99/60/478359960.db2.gz HVBHBIGOIFPSFT-HNAYVOBHSA-N 1 3 334.504 2.673 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521026722 478361628 /nfs/dbraw/zinc/36/16/28/478361628.db2.gz FLCLCVGQUSUWJN-MAUKXSAKSA-N 1 3 336.524 2.600 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C2CC2)cc1 ZINC000562825175 478362718 /nfs/dbraw/zinc/36/27/18/478362718.db2.gz SKFHCZVVIGWDAO-MRXNPFEDSA-N 1 3 346.519 2.760 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000495851449 478363173 /nfs/dbraw/zinc/36/31/73/478363173.db2.gz RQGCLZACLUTPBP-INIZCTEOSA-N 1 3 339.524 2.953 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000495851449 478363180 /nfs/dbraw/zinc/36/31/80/478363180.db2.gz RQGCLZACLUTPBP-INIZCTEOSA-N 1 3 339.524 2.953 20 0 EFADHO CC1(C)CC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570462805 478365584 /nfs/dbraw/zinc/36/55/84/478365584.db2.gz WTLKYAGSQMHGKV-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)Cc3ccnc(N)c3)C2)s1 ZINC000562901600 478377122 /nfs/dbraw/zinc/37/71/22/478377122.db2.gz ORZGYNMCSQMHMJ-INIZCTEOSA-N 1 3 330.501 2.988 20 0 EFADHO Cc1ccc(CN2CC[C@@H](C[N@H+](C)Cc3ccnc(N)c3)C2)s1 ZINC000562901600 478377132 /nfs/dbraw/zinc/37/71/32/478377132.db2.gz ORZGYNMCSQMHMJ-INIZCTEOSA-N 1 3 330.501 2.988 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COc2ccccc2Cl)c1 ZINC000570564352 478388584 /nfs/dbraw/zinc/38/85/84/478388584.db2.gz NBJYJTQWGFKLOM-KRWDZBQOSA-N 1 3 348.874 2.931 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(F)cc2)c1 ZINC000562987909 478403114 /nfs/dbraw/zinc/40/31/14/478403114.db2.gz UTQOFTLEMSGYML-IBGZPJMESA-N 1 3 346.446 2.807 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@H](O)COc2ccc(F)cc2)c1 ZINC000562987909 478403122 /nfs/dbraw/zinc/40/31/22/478403122.db2.gz UTQOFTLEMSGYML-IBGZPJMESA-N 1 3 346.446 2.807 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000562987484 478404761 /nfs/dbraw/zinc/40/47/61/478404761.db2.gz RQCGICPGLSGTJQ-INIZCTEOSA-N 1 3 340.895 2.790 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490975184 478415637 /nfs/dbraw/zinc/41/56/37/478415637.db2.gz UMFDOEBYFKCWDR-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490975184 478415642 /nfs/dbraw/zinc/41/56/42/478415642.db2.gz UMFDOEBYFKCWDR-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cc(C)c(C(=O)NC2CC[NH+](CC[C@H]3CCCCN3C)CC2)o1 ZINC000527576773 478433694 /nfs/dbraw/zinc/43/36/94/478433694.db2.gz PMMXUYKVRRCOGV-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC000495963246 478443390 /nfs/dbraw/zinc/44/33/90/478443390.db2.gz SLSSJDSMGKRYQM-YLAKUSLOSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC000495963246 478443399 /nfs/dbraw/zinc/44/33/99/478443399.db2.gz SLSSJDSMGKRYQM-YLAKUSLOSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC000495963246 478443403 /nfs/dbraw/zinc/44/34/03/478443403.db2.gz SLSSJDSMGKRYQM-YLAKUSLOSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC[C@@H]21 ZINC000495963246 478443410 /nfs/dbraw/zinc/44/34/10/478443410.db2.gz SLSSJDSMGKRYQM-YLAKUSLOSA-N 1 3 349.519 2.660 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000570836051 478458346 /nfs/dbraw/zinc/45/83/46/478458346.db2.gz AZMZKLUOQCENIR-DFEHZGFQSA-N 1 3 340.895 2.851 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000570836051 478458354 /nfs/dbraw/zinc/45/83/54/478458354.db2.gz AZMZKLUOQCENIR-DFEHZGFQSA-N 1 3 340.895 2.851 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000570836053 478459426 /nfs/dbraw/zinc/45/94/26/478459426.db2.gz AZMZKLUOQCENIR-LBTBCDHLSA-N 1 3 340.895 2.851 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000570836053 478459434 /nfs/dbraw/zinc/45/94/34/478459434.db2.gz AZMZKLUOQCENIR-LBTBCDHLSA-N 1 3 340.895 2.851 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527643145 478459621 /nfs/dbraw/zinc/45/96/21/478459621.db2.gz VZLTUPWMYJRKPS-SFHVURJKSA-N 1 3 336.524 2.565 20 0 EFADHO Cn1cc(-c2nc(CNC3CCC(C[NH+](C)C)CC3)cs2)cn1 ZINC000527685939 478477423 /nfs/dbraw/zinc/47/74/23/478477423.db2.gz YESNMWIWGATHQY-UHFFFAOYSA-N 1 3 333.505 2.754 20 0 EFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000594647148 478478179 /nfs/dbraw/zinc/47/81/79/478478179.db2.gz CVAPRVUYZALOSR-HXUWFJFHSA-N 1 3 341.499 2.887 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000496014020 478480823 /nfs/dbraw/zinc/48/08/23/478480823.db2.gz KHJJRLGCSFNNOM-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000591177849 478484175 /nfs/dbraw/zinc/48/41/75/478484175.db2.gz XAQVLJREKJMHKT-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(C)C ZINC000591177849 478484178 /nfs/dbraw/zinc/48/41/78/478484178.db2.gz XAQVLJREKJMHKT-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496048848 478502624 /nfs/dbraw/zinc/50/26/24/478502624.db2.gz ZFXVNMNTVJHSQQ-LSDHHAIUSA-N 1 3 348.491 2.843 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@@H+](C4CCCC4)C3)C2)C1 ZINC000496064320 478511933 /nfs/dbraw/zinc/51/19/33/478511933.db2.gz UJEXCZNGPBUZAJ-OAHLLOKOSA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@H+](C4CCCC4)C3)C2)C1 ZINC000496064320 478511942 /nfs/dbraw/zinc/51/19/42/478511942.db2.gz UJEXCZNGPBUZAJ-OAHLLOKOSA-N 1 3 349.519 2.992 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000582117291 478515236 /nfs/dbraw/zinc/51/52/36/478515236.db2.gz KYIYJGHVLBWSBA-HOTGVXAUSA-N 1 3 340.895 2.710 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000571081537 478516684 /nfs/dbraw/zinc/51/66/84/478516684.db2.gz GUAUFVVXWTVLFL-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)C(C)(C)C)CC1 ZINC000571081537 478516690 /nfs/dbraw/zinc/51/66/90/478516690.db2.gz GUAUFVVXWTVLFL-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1=CC[N@H+](C)CC1 ZINC000540965858 478522831 /nfs/dbraw/zinc/52/28/31/478522831.db2.gz PLTMPLHXVXOHBQ-HNNXBMFYSA-N 1 3 336.439 2.627 20 0 EFADHO C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000540965858 478522836 /nfs/dbraw/zinc/52/28/36/478522836.db2.gz PLTMPLHXVXOHBQ-HNNXBMFYSA-N 1 3 336.439 2.627 20 0 EFADHO C[C@H](CCNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCCCC1 ZINC000571147775 478529806 /nfs/dbraw/zinc/52/98/06/478529806.db2.gz VDPSSLFYLGVCGN-OAHLLOKOSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101164 478538201 /nfs/dbraw/zinc/53/82/01/478538201.db2.gz PRTMKTFYIRUSII-FXUDXRNXSA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101164 478538208 /nfs/dbraw/zinc/53/82/08/478538208.db2.gz PRTMKTFYIRUSII-FXUDXRNXSA-N 1 3 325.497 2.895 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000582237304 478546832 /nfs/dbraw/zinc/54/68/32/478546832.db2.gz UIQQITLOTIBXJH-INIZCTEOSA-N 1 3 342.405 2.782 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(C(F)(F)F)cc2)CC1)C1CC1 ZINC000582237304 478546836 /nfs/dbraw/zinc/54/68/36/478546836.db2.gz UIQQITLOTIBXJH-INIZCTEOSA-N 1 3 342.405 2.782 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC12CC2 ZINC000527864731 478550871 /nfs/dbraw/zinc/55/08/71/478550871.db2.gz DSMBANXUKRNHBB-QFBILLFUSA-N 1 3 341.499 2.790 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442343 478553983 /nfs/dbraw/zinc/55/39/83/478553983.db2.gz JIKUFOIIGZJDST-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442343 478553987 /nfs/dbraw/zinc/55/39/87/478553987.db2.gz JIKUFOIIGZJDST-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1cccc(Cl)c1Cl ZINC000582295416 478562882 /nfs/dbraw/zinc/56/28/82/478562882.db2.gz IAUTWEADJVOSRR-DMDPSCGWSA-N 1 3 333.259 2.714 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498929 478570764 /nfs/dbraw/zinc/57/07/64/478570764.db2.gz DVBYMSHFXNGBSM-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498929 478570768 /nfs/dbraw/zinc/57/07/68/478570768.db2.gz DVBYMSHFXNGBSM-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000496159911 478578669 /nfs/dbraw/zinc/57/86/69/478578669.db2.gz KDGMHMANOOUDPC-SJLPKXTDSA-N 1 3 345.487 2.765 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000563538131 478582379 /nfs/dbraw/zinc/58/23/79/478582379.db2.gz RNOUHUXGCFTBIS-UHFFFAOYSA-N 1 3 346.519 2.912 20 0 EFADHO CCOC(=O)c1oc2c(c1C)[C@H](N[C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000591581837 478584904 /nfs/dbraw/zinc/58/49/04/478584904.db2.gz YVWDSJCMCXDNAP-HIFRSBDPSA-N 1 3 332.444 2.874 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000527971309 478594007 /nfs/dbraw/zinc/59/40/07/478594007.db2.gz ZUEXSAXFEFAXGJ-CWJKEVGVSA-N 1 3 343.515 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000527971309 478594014 /nfs/dbraw/zinc/59/40/14/478594014.db2.gz ZUEXSAXFEFAXGJ-CWJKEVGVSA-N 1 3 343.515 2.732 20 0 EFADHO CN(CCC(=O)N1CCN(CC2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000541857753 478598894 /nfs/dbraw/zinc/59/88/94/478598894.db2.gz XCYSNGDWJFFGSI-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563625894 478607358 /nfs/dbraw/zinc/60/73/58/478607358.db2.gz ZQMVYCCSHGLFCJ-UXHICEINSA-N 1 3 341.499 2.744 20 0 EFADHO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000591701430 478608999 /nfs/dbraw/zinc/60/89/99/478608999.db2.gz UXWUXYPMGFJBEQ-MRXNPFEDSA-N 1 3 330.476 2.558 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000591721687 478612642 /nfs/dbraw/zinc/61/26/42/478612642.db2.gz IGVRWLKZNJGURG-UHFFFAOYSA-N 1 3 338.455 2.836 20 0 EFADHO CSC[C@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000591726661 478613981 /nfs/dbraw/zinc/61/39/81/478613981.db2.gz XHTNBMCVHVDCKF-JTDSTZFVSA-N 1 3 336.545 2.978 20 0 EFADHO CSC[C@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000591726661 478613989 /nfs/dbraw/zinc/61/39/89/478613989.db2.gz XHTNBMCVHVDCKF-JTDSTZFVSA-N 1 3 336.545 2.978 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000528024020 478616747 /nfs/dbraw/zinc/61/67/47/478616747.db2.gz SNYBIRRRJIXENU-LEOMRAHMSA-N 1 3 336.524 2.565 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000563690900 478617493 /nfs/dbraw/zinc/61/74/93/478617493.db2.gz COADTSSGXPJOMO-LJQANCHMSA-N 1 3 346.519 2.819 20 0 EFADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000582540565 478625211 /nfs/dbraw/zinc/62/52/11/478625211.db2.gz AXKPHHJAXRRQNK-PZPSRYQVSA-N 1 3 345.878 2.959 20 0 EFADHO CN(C)CCC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595006063 478626700 /nfs/dbraw/zinc/62/67/00/478626700.db2.gz GVVBHQLOTSBREI-AWEZNQCLSA-N 1 3 344.240 2.820 20 0 EFADHO Cc1cccc(OC[C@@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000582601896 478638665 /nfs/dbraw/zinc/63/86/65/478638665.db2.gz ZFZFFICXVAGEBR-FQEVSTJZSA-N 1 3 342.483 2.629 20 0 EFADHO Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cc(N2CCN(C(C)C)CC2)c1 ZINC000571638934 478642807 /nfs/dbraw/zinc/64/28/07/478642807.db2.gz GSOUATMYYOBISG-KRWDZBQOSA-N 1 3 344.503 2.606 20 0 EFADHO C[NH+](C)CC1(CNC(=O)Nc2cccc3c2CCNC3)CCCC1 ZINC000571772254 478674384 /nfs/dbraw/zinc/67/43/84/478674384.db2.gz GIIPXGYLDVFDAN-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000571786588 478677192 /nfs/dbraw/zinc/67/71/92/478677192.db2.gz TUGOTLHLMIOJQZ-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000571786588 478677198 /nfs/dbraw/zinc/67/71/98/478677198.db2.gz TUGOTLHLMIOJQZ-CYBMUJFWSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491851556 478708366 /nfs/dbraw/zinc/70/83/66/478708366.db2.gz ZHBYEFUXIQPHMM-GJBHZFNWSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491851556 478708371 /nfs/dbraw/zinc/70/83/71/478708371.db2.gz ZHBYEFUXIQPHMM-GJBHZFNWSA-N 1 3 329.488 2.653 20 0 EFADHO CCN(C(=O)/C=C\C[NH+](C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000491862738 478712967 /nfs/dbraw/zinc/71/29/67/478712967.db2.gz CZEBWVVLFLTEEV-OHIPZYOVSA-N 1 3 329.488 2.788 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)C[C@@H]3C)CC2)CC1 ZINC000564352801 478730902 /nfs/dbraw/zinc/73/09/02/478730902.db2.gz WJZAWOVWXPAZJD-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](CCNC(=O)N1CCCN(C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000543379985 478739507 /nfs/dbraw/zinc/73/95/07/478739507.db2.gz MFBHKBCYTINNSQ-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@@H](C)C[C@H]2C)CC1 ZINC000564505965 478750879 /nfs/dbraw/zinc/75/08/79/478750879.db2.gz OZZIQYQWXICORF-FUHWJXTLSA-N 1 3 343.515 2.806 20 0 EFADHO C/C(Cl)=C\CN1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000528420574 478764061 /nfs/dbraw/zinc/76/40/61/478764061.db2.gz LJYAJUROQLXOIH-OMCISZLKSA-N 1 3 341.927 2.833 20 0 EFADHO Cc1ncc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)n1C ZINC000564587532 478764725 /nfs/dbraw/zinc/76/47/25/478764725.db2.gz ZVTMNVUXINHFQZ-MRXNPFEDSA-N 1 3 342.487 2.718 20 0 EFADHO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749161 478781202 /nfs/dbraw/zinc/78/12/02/478781202.db2.gz YBBPGMNVZVYCNN-ZWKOTPCHSA-N 1 3 345.531 2.810 20 0 EFADHO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749161 478781210 /nfs/dbraw/zinc/78/12/10/478781210.db2.gz YBBPGMNVZVYCNN-ZWKOTPCHSA-N 1 3 345.531 2.810 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572231055 478781435 /nfs/dbraw/zinc/78/14/35/478781435.db2.gz HUKQTDQMYJKQIQ-BZUAXINKSA-N 1 3 335.452 2.597 20 0 EFADHO COC(=O)[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C ZINC000592129325 478788242 /nfs/dbraw/zinc/78/82/42/478788242.db2.gz XOTBHSXVQCOBMH-VQIMIIECSA-N 1 3 330.472 2.913 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNCCC(=O)Nc2ccc(C)cn2)c1 ZINC000564722598 478795147 /nfs/dbraw/zinc/79/51/47/478795147.db2.gz NPNOXVYICLNEAM-UHFFFAOYSA-N 1 3 340.471 2.960 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNCCC(=O)Nc2ccc(C)cn2)c1 ZINC000564722598 478795158 /nfs/dbraw/zinc/79/51/58/478795158.db2.gz NPNOXVYICLNEAM-UHFFFAOYSA-N 1 3 340.471 2.960 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000572373068 478820421 /nfs/dbraw/zinc/82/04/21/478820421.db2.gz QDAXEMOZJYCTRY-JXFKEZNVSA-N 1 3 331.504 2.934 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000572381420 478824076 /nfs/dbraw/zinc/82/40/76/478824076.db2.gz BKMOMZWDIKFQRE-MJGOQNOKSA-N 1 3 346.519 2.727 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000564843185 478827719 /nfs/dbraw/zinc/82/77/19/478827719.db2.gz BCRUSRGQGVHPDU-OAHLLOKOSA-N 1 3 340.895 2.932 20 0 EFADHO C[N@H+](C[C@@H](O)CNCCCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000564846078 478828180 /nfs/dbraw/zinc/82/81/80/478828180.db2.gz FNOYFWHNDDVVKF-AWEZNQCLSA-N 1 3 347.286 2.807 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCCCOc1ccc(Cl)cc1Cl)C1CC1 ZINC000564846078 478828191 /nfs/dbraw/zinc/82/81/91/478828191.db2.gz FNOYFWHNDDVVKF-AWEZNQCLSA-N 1 3 347.286 2.807 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000564845619 478829279 /nfs/dbraw/zinc/82/92/79/478829279.db2.gz ZNZAMWOFMALXDC-CQSZACIVSA-N 1 3 346.393 2.519 20 0 EFADHO CC(C)CC[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000564847783 478830364 /nfs/dbraw/zinc/83/03/64/478830364.db2.gz BSRVVKAHCFKPRG-HXUWFJFHSA-N 1 3 334.504 2.530 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N1CCN(C)CC[C@H]1C)[NH+]1CCCC1 ZINC000502964551 478833916 /nfs/dbraw/zinc/83/39/16/478833916.db2.gz HOHJADRDEPQQOI-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CCOc1cc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000583369267 478834558 /nfs/dbraw/zinc/83/45/58/478834558.db2.gz JQALHZQFKJLWMG-PKOBYXMFSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000544637279 478854920 /nfs/dbraw/zinc/85/49/20/478854920.db2.gz CQFUOENUPIOPRK-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000564915731 478858062 /nfs/dbraw/zinc/85/80/62/478858062.db2.gz BPBCGGCGWSKXCZ-GBESFXJTSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000564915731 478858075 /nfs/dbraw/zinc/85/80/75/478858075.db2.gz BPBCGGCGWSKXCZ-GBESFXJTSA-N 1 3 329.488 2.670 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CNCc2ccccc21 ZINC000564925034 478862386 /nfs/dbraw/zinc/86/23/86/478862386.db2.gz BKGGYUDTCLLJTD-FQEVSTJZSA-N 1 3 341.499 2.787 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602634 478878816 /nfs/dbraw/zinc/87/88/16/478878816.db2.gz ZIHYQAUSHVDGJN-MJGOQNOKSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602634 478878820 /nfs/dbraw/zinc/87/88/20/478878820.db2.gz ZIHYQAUSHVDGJN-MJGOQNOKSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)OCCNC2)[NH+]1CCCCC1 ZINC000528714960 478894242 /nfs/dbraw/zinc/89/42/42/478894242.db2.gz NDAJKYNYIDBPDE-UHFFFAOYSA-N 1 3 346.475 2.555 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCCCN3)cc2)C1 ZINC000565040016 478895300 /nfs/dbraw/zinc/89/53/00/478895300.db2.gz HXKWZYCWRJKXKA-VQIMIIECSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCCCN3)cc2)C1 ZINC000565040016 478895310 /nfs/dbraw/zinc/89/53/10/478895310.db2.gz HXKWZYCWRJKXKA-VQIMIIECSA-N 1 3 345.487 2.878 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719549 478895460 /nfs/dbraw/zinc/89/54/60/478895460.db2.gz JGDJFZUAQMJAPB-QGZVFWFLSA-N 1 3 346.475 2.555 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719549 478895466 /nfs/dbraw/zinc/89/54/66/478895466.db2.gz JGDJFZUAQMJAPB-QGZVFWFLSA-N 1 3 346.475 2.555 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@@H]1C ZINC000528717320 478896152 /nfs/dbraw/zinc/89/61/52/478896152.db2.gz ZHBFQEIOXMHUEO-YOEHRIQHSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@@H]1C ZINC000528717320 478896157 /nfs/dbraw/zinc/89/61/57/478896157.db2.gz ZHBFQEIOXMHUEO-YOEHRIQHSA-N 1 3 346.475 2.505 20 0 EFADHO C[C@@H](CN1CCC(CCC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492257233 478897155 /nfs/dbraw/zinc/89/71/55/478897155.db2.gz IDVRXGUJHMDZHI-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000572714932 478902092 /nfs/dbraw/zinc/90/20/92/478902092.db2.gz DCHAGBCYBFJYKL-INIZCTEOSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2F)CCCC1)C1CC1 ZINC000572714932 478902102 /nfs/dbraw/zinc/90/21/02/478902102.db2.gz DCHAGBCYBFJYKL-INIZCTEOSA-N 1 3 338.442 2.821 20 0 EFADHO CSCC[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nnc2ccccn21 ZINC000592469504 478906446 /nfs/dbraw/zinc/90/64/46/478906446.db2.gz RYNLZXXMPJNNML-JONQDZQNSA-N 1 3 345.516 2.501 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000572779873 478918274 /nfs/dbraw/zinc/91/82/74/478918274.db2.gz XTODKZOZUSIHHD-SFHVURJKSA-N 1 3 331.504 2.641 20 0 EFADHO COC(=O)c1cc(C[NH2+]CC2(CN(C)C)CCCC2)n2c1CCCC2 ZINC000598640164 478939397 /nfs/dbraw/zinc/93/93/97/478939397.db2.gz XETUNAZUXLJWLX-UHFFFAOYSA-N 1 3 347.503 2.823 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508843373 478943244 /nfs/dbraw/zinc/94/32/44/478943244.db2.gz FCFUINJFQIBZSD-YTQUADARSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000508843373 478943246 /nfs/dbraw/zinc/94/32/46/478943246.db2.gz FCFUINJFQIBZSD-YTQUADARSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000508894697 478944718 /nfs/dbraw/zinc/94/47/18/478944718.db2.gz GFWWNTCBAVERDU-PKOBYXMFSA-N 1 3 348.535 2.969 20 0 EFADHO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000583881099 478964301 /nfs/dbraw/zinc/96/43/01/478964301.db2.gz RTDXTEQPVAYFDP-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(NCCC1=CC[NH2+]CC1)NCCN1CCC2(CCCCC2)CC1 ZINC000572976171 478965804 /nfs/dbraw/zinc/96/58/04/478965804.db2.gz JIKRMFZOYGRBOU-UHFFFAOYSA-N 1 3 348.535 2.642 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1 ZINC000583930444 478972599 /nfs/dbraw/zinc/97/25/99/478972599.db2.gz JFXIBIAMGARWLG-GOEBONIOSA-N 1 3 338.879 2.628 20 0 EFADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000511228552 478974800 /nfs/dbraw/zinc/97/48/00/478974800.db2.gz ACSLSSZJHYKBHR-KRWDZBQOSA-N 1 3 348.535 2.544 20 0 EFADHO C[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000511228552 478974808 /nfs/dbraw/zinc/97/48/08/478974808.db2.gz ACSLSSZJHYKBHR-KRWDZBQOSA-N 1 3 348.535 2.544 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000511900346 478987222 /nfs/dbraw/zinc/98/72/22/478987222.db2.gz GCYCQVSTHZTZOB-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000511900346 478987231 /nfs/dbraw/zinc/98/72/31/478987231.db2.gz GCYCQVSTHZTZOB-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512561320 478999401 /nfs/dbraw/zinc/99/94/01/478999401.db2.gz XNWPOVPLYJORJU-HKUYNNGSSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512561320 478999409 /nfs/dbraw/zinc/99/94/09/478999409.db2.gz XNWPOVPLYJORJU-HKUYNNGSSA-N 1 3 331.504 2.744 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@](C)(CC)C3)CC2)CC1 ZINC000573134649 479000676 /nfs/dbraw/zinc/00/06/76/479000676.db2.gz PHGVRZRUCNVNPW-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000573224425 479019261 /nfs/dbraw/zinc/01/92/61/479019261.db2.gz KIPFPUZLGLRDAE-RTBURBONSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000573224422 479019344 /nfs/dbraw/zinc/01/93/44/479019344.db2.gz KIPFPUZLGLRDAE-MOPGFXCFSA-N 1 3 346.519 2.523 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000565489987 479020363 /nfs/dbraw/zinc/02/03/63/479020363.db2.gz FKGJTOVGKMGPIF-NWANDNLSSA-N 1 3 346.393 2.596 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COc1cccc2ccccc21)CN1CCCC1 ZINC000565535735 479028762 /nfs/dbraw/zinc/02/87/62/479028762.db2.gz YXGWCQREMPSTLF-HKUYNNGSSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COc1cccc2ccccc21)CN1CCCC1 ZINC000565535737 479029790 /nfs/dbraw/zinc/02/97/90/479029790.db2.gz YXGWCQREMPSTLF-IEBWSBKVSA-N 1 3 342.483 2.901 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000584171874 479040298 /nfs/dbraw/zinc/04/02/98/479040298.db2.gz JTUMEAOYAOSKAQ-LJQANCHMSA-N 1 3 325.456 2.958 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000584171906 479040694 /nfs/dbraw/zinc/04/06/94/479040694.db2.gz LUNGUXRNJMOANP-MJGOQNOKSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@H](NC[C@H](O)COCc1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000565594616 479042256 /nfs/dbraw/zinc/04/22/56/479042256.db2.gz RKWLCSGOWDUHMI-HOCLYGCPSA-N 1 3 342.911 2.783 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000595900245 479059338 /nfs/dbraw/zinc/05/93/38/479059338.db2.gz CDGWZZNZFILWDV-SFHVURJKSA-N 1 3 346.471 2.564 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000565669814 479060628 /nfs/dbraw/zinc/06/06/28/479060628.db2.gz JQGDJUZHZSWFRN-YTQUADARSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000565669814 479060631 /nfs/dbraw/zinc/06/06/31/479060631.db2.gz JQGDJUZHZSWFRN-YTQUADARSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000565669814 479060633 /nfs/dbraw/zinc/06/06/33/479060633.db2.gz JQGDJUZHZSWFRN-YTQUADARSA-N 1 3 332.488 2.871 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789102 479065649 /nfs/dbraw/zinc/06/56/49/479065649.db2.gz WHYBCKHPYUBPLG-WBVHZDCISA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789102 479065662 /nfs/dbraw/zinc/06/56/62/479065662.db2.gz WHYBCKHPYUBPLG-WBVHZDCISA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000514789102 479065672 /nfs/dbraw/zinc/06/56/72/479065672.db2.gz WHYBCKHPYUBPLG-WBVHZDCISA-N 1 3 340.895 2.539 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000565753891 479075304 /nfs/dbraw/zinc/07/53/04/479075304.db2.gz IKTKIWACHARXEN-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000565753891 479075312 /nfs/dbraw/zinc/07/53/12/479075312.db2.gz IKTKIWACHARXEN-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000565764728 479079456 /nfs/dbraw/zinc/07/94/56/479079456.db2.gz ONCMQZIGSXBRGJ-UHOSZYNNSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000584289417 479082158 /nfs/dbraw/zinc/08/21/58/479082158.db2.gz KEZYXZODBNPXGY-NZSAHSFTSA-N 1 3 329.488 2.574 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1F ZINC000514932766 479092089 /nfs/dbraw/zinc/09/20/89/479092089.db2.gz MWKYSLLCSKAVMP-KRWDZBQOSA-N 1 3 336.451 2.562 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000514938059 479093329 /nfs/dbraw/zinc/09/33/29/479093329.db2.gz ANKFIGLKRVYTMU-SFHVURJKSA-N 1 3 333.476 2.878 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000573578584 479098759 /nfs/dbraw/zinc/09/87/59/479098759.db2.gz RLKWNQKECVISLI-OLZOCXBDSA-N 1 3 325.840 2.537 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000573578584 479098765 /nfs/dbraw/zinc/09/87/65/479098765.db2.gz RLKWNQKECVISLI-OLZOCXBDSA-N 1 3 325.840 2.537 20 0 EFADHO C[C@@](O)(C[NH2+]CC1CCN(Cc2cccs2)CC1)C(F)(F)F ZINC000515165789 479125395 /nfs/dbraw/zinc/12/53/95/479125395.db2.gz GZWHEQDSGIIMIH-CQSZACIVSA-N 1 3 336.423 2.863 20 0 EFADHO FC(F)(F)c1ccc(CN(CCN2CC[NH2+]CC2)C2CC2)cc1 ZINC000584411861 479125790 /nfs/dbraw/zinc/12/57/90/479125790.db2.gz SVRYCFIOHNPNSV-UHFFFAOYSA-N 1 3 327.394 2.575 20 0 EFADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000584426397 479132126 /nfs/dbraw/zinc/13/21/26/479132126.db2.gz PULLRUXIPOTHHS-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCCN1CCN(C)CC1 ZINC000515290606 479140829 /nfs/dbraw/zinc/14/08/29/479140829.db2.gz ZYLJVEATYIWIPQ-KRWDZBQOSA-N 1 3 329.488 2.981 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584463681 479142629 /nfs/dbraw/zinc/14/26/29/479142629.db2.gz GIHPGBXFDSYNTO-OALUTQOASA-N 1 3 340.471 2.575 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000584488757 479155458 /nfs/dbraw/zinc/15/54/58/479155458.db2.gz FKUIZPHKHIHNJL-AEFFLSMTSA-N 1 3 334.508 2.579 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000584488758 479155624 /nfs/dbraw/zinc/15/56/24/479155624.db2.gz FKUIZPHKHIHNJL-FUHWJXTLSA-N 1 3 334.508 2.579 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000584529116 479167172 /nfs/dbraw/zinc/16/71/72/479167172.db2.gz QFDLRFFPTLYKRW-SFHVURJKSA-N 1 3 338.455 2.699 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCNCC[C@@H]3C)cc2)n1 ZINC000584584967 479186273 /nfs/dbraw/zinc/18/62/73/479186273.db2.gz UYKPVZWKEXBSJQ-WMLDXEAASA-N 1 3 328.460 2.819 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)n1 ZINC000584584967 479186278 /nfs/dbraw/zinc/18/62/78/479186278.db2.gz UYKPVZWKEXBSJQ-WMLDXEAASA-N 1 3 328.460 2.819 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000574071938 479209659 /nfs/dbraw/zinc/20/96/59/479209659.db2.gz OJQRCXJIJMIOGN-HNNXBMFYSA-N 1 3 330.394 2.683 20 0 EFADHO CCN(CC)CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000556827801 479218536 /nfs/dbraw/zinc/21/85/36/479218536.db2.gz GHZODMDWPLLSTH-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO CCN(CC)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000556827801 479218543 /nfs/dbraw/zinc/21/85/43/479218543.db2.gz GHZODMDWPLLSTH-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO N[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000584770433 479236237 /nfs/dbraw/zinc/23/62/37/479236237.db2.gz RCSPKMNHLPSIAS-RTBURBONSA-N 1 3 344.503 2.783 20 0 EFADHO N[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000584770433 479236246 /nfs/dbraw/zinc/23/62/46/479236246.db2.gz RCSPKMNHLPSIAS-RTBURBONSA-N 1 3 344.503 2.783 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000584778713 479239780 /nfs/dbraw/zinc/23/97/80/479239780.db2.gz VTJPFJWJLSGGJE-VNHYZAJKSA-N 1 3 326.510 2.556 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CCNC2 ZINC000557032424 479249104 /nfs/dbraw/zinc/24/91/04/479249104.db2.gz OILSQESERNHSCL-MRXNPFEDSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CCNC2 ZINC000557032424 479249113 /nfs/dbraw/zinc/24/91/13/479249113.db2.gz OILSQESERNHSCL-MRXNPFEDSA-N 1 3 330.476 2.718 20 0 EFADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000574269057 479253431 /nfs/dbraw/zinc/25/34/31/479253431.db2.gz ADEIBSHDXBWSJS-OAHLLOKOSA-N 1 3 348.512 2.973 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3csc4ccccc34)C2)nn1 ZINC000574293588 479259698 /nfs/dbraw/zinc/25/96/98/479259698.db2.gz DPESIYCLGFEELJ-OAHLLOKOSA-N 1 3 327.457 2.789 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3csc4ccccc34)C2)nn1 ZINC000574293588 479259705 /nfs/dbraw/zinc/25/97/05/479259705.db2.gz DPESIYCLGFEELJ-OAHLLOKOSA-N 1 3 327.457 2.789 20 0 EFADHO c1nc2ccccc2n1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000574307930 479263241 /nfs/dbraw/zinc/26/32/41/479263241.db2.gz JCTIHSUNFXTNMM-WIYYLYMNSA-N 1 3 348.450 2.882 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)CN1CCC(C)(C)C1)c1ccsc1 ZINC000557525370 479285681 /nfs/dbraw/zinc/28/56/81/479285681.db2.gz STTSXURHKIVRRJ-INIZCTEOSA-N 1 3 337.533 2.979 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(C)s3)CC2)CC1 ZINC000557547071 479288568 /nfs/dbraw/zinc/28/85/68/479288568.db2.gz XIFPAMSSMLQSED-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557566409 479289335 /nfs/dbraw/zinc/28/93/35/479289335.db2.gz RCMNHDVYCSZVIQ-IAGOWNOFSA-N 1 3 331.504 2.641 20 0 EFADHO C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000603328000 479347722 /nfs/dbraw/zinc/34/77/22/479347722.db2.gz ZHFXUEUGZLFRPW-KRWDZBQOSA-N 1 3 343.515 2.745 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000575053162 479395342 /nfs/dbraw/zinc/39/53/42/479395342.db2.gz AXLZCIMMYVCACE-HXUWFJFHSA-N 1 3 334.504 2.940 20 0 EFADHO c1cnc2cc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2c1 ZINC000603517286 479399266 /nfs/dbraw/zinc/39/92/66/479399266.db2.gz NHFHWURMAWLQSE-LJQANCHMSA-N 1 3 325.456 2.968 20 0 EFADHO Cc1cccc(CC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000575177003 479415954 /nfs/dbraw/zinc/41/59/54/479415954.db2.gz NTDOCAGCDYJLEL-HDICACEKSA-N 1 3 331.504 2.754 20 0 EFADHO CCc1cc2c(ncnc2N[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000602614162 479424471 /nfs/dbraw/zinc/42/44/71/479424471.db2.gz XIJXQCCIVVLNKD-ZDUSSCGKSA-N 1 3 345.516 2.834 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCC3)CC2)CCCCC1 ZINC000611636677 479435292 /nfs/dbraw/zinc/43/52/92/479435292.db2.gz GBECRQRBCGILTA-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1c([C@@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000575372891 479435503 /nfs/dbraw/zinc/43/55/03/479435503.db2.gz BWDXRRRQNYTCPV-OCCSQVGLSA-N 1 3 333.867 2.879 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000575399137 479437647 /nfs/dbraw/zinc/43/76/47/479437647.db2.gz QSWUSEKRJOQMHU-AYDFFVQHSA-N 1 3 338.521 2.556 20 0 EFADHO CC(C)(CNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000611659041 479439009 /nfs/dbraw/zinc/43/90/09/479439009.db2.gz WOGCSZYHGJRWHW-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000575455217 479446413 /nfs/dbraw/zinc/44/64/13/479446413.db2.gz PYCLQWUKOIRTAJ-UHFFFAOYSA-N 1 3 333.451 2.961 20 0 EFADHO CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000602653404 479450144 /nfs/dbraw/zinc/45/01/44/479450144.db2.gz ZVRWUESENSGHHF-KRWDZBQOSA-N 1 3 341.455 2.803 20 0 EFADHO COc1cc(CNCC2(SC)CC[NH+](C)CC2)c(Cl)cc1O ZINC000602668880 479462614 /nfs/dbraw/zinc/46/26/14/479462614.db2.gz XTPZPZAZBKFZBS-UHFFFAOYSA-N 1 3 344.908 2.971 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000575746241 479466501 /nfs/dbraw/zinc/46/65/01/479466501.db2.gz SIXMEJFMTWIIIY-UHFFFAOYSA-N 1 3 346.519 2.943 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000604188550 479481660 /nfs/dbraw/zinc/48/16/60/479481660.db2.gz AHRPBOJXLZJKBN-GOSISDBHSA-N 1 3 348.535 2.799 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000604188550 479481663 /nfs/dbraw/zinc/48/16/63/479481663.db2.gz AHRPBOJXLZJKBN-GOSISDBHSA-N 1 3 348.535 2.799 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604184436 479482761 /nfs/dbraw/zinc/48/27/61/479482761.db2.gz VCXSVKOYECWLAX-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000575981331 479514982 /nfs/dbraw/zinc/51/49/82/479514982.db2.gz HJJMSEYTNHMMKF-KBXCAEBGSA-N 1 3 340.895 2.852 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000576015117 479523550 /nfs/dbraw/zinc/52/35/50/479523550.db2.gz LUWKZWJNLXKKMM-IAGOWNOFSA-N 1 3 344.503 2.592 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000618664001 479541487 /nfs/dbraw/zinc/54/14/87/479541487.db2.gz OMECWZAYEXZJHA-QFBILLFUSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000618664001 479541493 /nfs/dbraw/zinc/54/14/93/479541493.db2.gz OMECWZAYEXZJHA-QFBILLFUSA-N 1 3 333.520 2.917 20 0 EFADHO COC(=O)c1oc(C[NH2+]CC2CCN(c3ccncc3)CC2)cc1C ZINC000597075634 479559279 /nfs/dbraw/zinc/55/92/79/479559279.db2.gz WKBGFSSSUNPEPC-UHFFFAOYSA-N 1 3 343.427 2.776 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CN1C1CC1 ZINC000612106924 479585400 /nfs/dbraw/zinc/58/54/00/479585400.db2.gz SAHXCCUODKRGMO-KPFFTGBYSA-N 1 3 341.499 2.607 20 0 EFADHO COC(=O)c1cccc(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845847 479590173 /nfs/dbraw/zinc/59/01/73/479590173.db2.gz LRWPBBIBAMLGNX-UHFFFAOYSA-N 1 3 325.412 2.581 20 0 EFADHO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000597236674 479636316 /nfs/dbraw/zinc/63/63/16/479636316.db2.gz WXAAQJWJFNYEGJ-ICSRJNTNSA-N 1 3 348.487 2.839 20 0 EFADHO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000597237618 479636610 /nfs/dbraw/zinc/63/66/10/479636610.db2.gz ACZQHMREEDWQAH-HKUYNNGSSA-N 1 3 331.460 2.762 20 0 EFADHO CC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)N(CC)CC ZINC000605425812 479645194 /nfs/dbraw/zinc/64/51/94/479645194.db2.gz YPTNPIKWEDKTQI-YESZJQIVSA-N 1 3 325.541 2.980 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C4CCCC4)C3)CC2)CC1 ZINC000579003225 479647259 /nfs/dbraw/zinc/64/72/59/479647259.db2.gz ZZPCOGOSENQCAE-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000579000987 479647394 /nfs/dbraw/zinc/64/73/94/479647394.db2.gz CZFKFZSFZGFTGE-BPQIPLTHSA-N 1 3 331.504 2.962 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000605521924 479654403 /nfs/dbraw/zinc/65/44/03/479654403.db2.gz WLQJFEHKXQOTEJ-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)ncn1 ZINC000579225601 479675723 /nfs/dbraw/zinc/67/57/23/479675723.db2.gz UNNAGRWQBCFPPR-INDMIFKZSA-N 1 3 343.519 2.518 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCCC[C@H]1C ZINC000579329902 479686068 /nfs/dbraw/zinc/68/60/68/479686068.db2.gz AZKXEJDDWSOAGT-HUUCEWRRSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCCC[C@H]1C ZINC000579329902 479686070 /nfs/dbraw/zinc/68/60/70/479686070.db2.gz AZKXEJDDWSOAGT-HUUCEWRRSA-N 1 3 330.476 2.717 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC000615600610 479704032 /nfs/dbraw/zinc/70/40/32/479704032.db2.gz DMMVCTBSUMPAJQ-ICSRJNTNSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC000615600610 479704034 /nfs/dbraw/zinc/70/40/34/479704034.db2.gz DMMVCTBSUMPAJQ-ICSRJNTNSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[N@H+](C)C1CC1 ZINC000606676491 479721221 /nfs/dbraw/zinc/72/12/21/479721221.db2.gz DEQDTRBGKUDTHD-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000606676491 479721225 /nfs/dbraw/zinc/72/12/25/479721225.db2.gz DEQDTRBGKUDTHD-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000621642265 479735194 /nfs/dbraw/zinc/73/51/94/479735194.db2.gz JEWGYTJONIVRKT-IAGOWNOFSA-N 1 3 349.544 2.856 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)N1CCCC1 ZINC000621641462 479735406 /nfs/dbraw/zinc/73/54/06/479735406.db2.gz KMROSNKLJLKJLP-JKSUJKDBSA-N 1 3 335.517 2.781 20 0 EFADHO NC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000621656588 479739629 /nfs/dbraw/zinc/73/96/29/479739629.db2.gz SMXGWBLVWJSNKS-HNAYVOBHSA-N 1 3 325.456 2.736 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000621659188 479740129 /nfs/dbraw/zinc/74/01/29/479740129.db2.gz BNIBYMHMHFIXGJ-WMLDXEAASA-N 1 3 337.895 2.839 20 0 EFADHO Cc1nccnc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000621722193 479769628 /nfs/dbraw/zinc/76/96/28/479769628.db2.gz NYMVZAQDIQMHFI-UHFFFAOYSA-N 1 3 325.460 2.919 20 0 EFADHO CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633342553 479777793 /nfs/dbraw/zinc/77/77/93/479777793.db2.gz JBUDIRGFJOEWTF-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633346491 479780884 /nfs/dbraw/zinc/78/08/84/479780884.db2.gz DBPYWQZPHKCYNT-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO COc1cc(CN(C)C)ccc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000633378816 479799441 /nfs/dbraw/zinc/79/94/41/479799441.db2.gz PBGVLROADIKNBS-UHFFFAOYSA-N 1 3 345.487 2.960 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631586095 480168611 /nfs/dbraw/zinc/16/86/11/480168611.db2.gz FBNTUVRLPQGDGS-WBVHZDCISA-N 1 3 336.476 2.855 20 0 EFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC)c1OC ZINC000631624117 480187306 /nfs/dbraw/zinc/18/73/06/480187306.db2.gz BPVOOVCYHRPNRT-QGZVFWFLSA-N 1 3 349.519 2.771 20 0 EFADHO CCC1(N2CCOCC2)CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000626089246 480195333 /nfs/dbraw/zinc/19/53/33/480195333.db2.gz HVPJBJOIMZPMMN-OALUTQOASA-N 1 3 337.552 2.541 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000631647325 480198125 /nfs/dbraw/zinc/19/81/25/480198125.db2.gz RSHYOVPWOWCOMY-ZCNNSNEGSA-N 1 3 341.499 2.841 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000631721475 480237312 /nfs/dbraw/zinc/23/73/12/480237312.db2.gz YHQSZVVKMSYWKK-SJXGUFTOSA-N 1 3 330.394 2.798 20 0 EFADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000629407287 480246576 /nfs/dbraw/zinc/24/65/76/480246576.db2.gz YSWQIPWSRBCMEW-NFBUACBFSA-N 1 3 339.487 2.875 20 0 EFADHO c1c(CNC2CCC(c3ccccc3)CC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629414203 480248150 /nfs/dbraw/zinc/24/81/50/480248150.db2.gz FSIGTOMVSHRWMK-FAFZWHIHSA-N 1 3 325.460 2.629 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623356708 480248583 /nfs/dbraw/zinc/24/85/83/480248583.db2.gz BNDCGWZJBQEDOW-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2cccc3n[nH]cc32)cc1 ZINC000623405642 480266441 /nfs/dbraw/zinc/26/64/41/480266441.db2.gz RQHGPLKAIQVYDA-UHFFFAOYSA-N 1 3 338.455 2.836 20 0 EFADHO CN(C)[C@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000620935599 480279974 /nfs/dbraw/zinc/27/99/74/480279974.db2.gz SIVSHUXWSFJGIO-HXUWFJFHSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)CC1(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000614399199 480295024 /nfs/dbraw/zinc/29/50/24/480295024.db2.gz KXEBSIJSKBPTNM-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)CC1(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000614399199 480295031 /nfs/dbraw/zinc/29/50/31/480295031.db2.gz KXEBSIJSKBPTNM-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000629532125 480296342 /nfs/dbraw/zinc/29/63/42/480296342.db2.gz MXPPLWKDGDREBG-ZHALLVOQSA-N 1 3 333.520 2.632 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCCc3cccc(CN)c32)cc1 ZINC000629561132 480308131 /nfs/dbraw/zinc/30/81/31/480308131.db2.gz QSAMRCDRVMXLGY-SFHVURJKSA-N 1 3 325.456 2.649 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC[C@@H](O)C[NH+]2CCCC2)N(C)C)cc1 ZINC000629581320 480315752 /nfs/dbraw/zinc/31/57/52/480315752.db2.gz WBKDKYRXCDOCTQ-NHCUHLMSSA-N 1 3 347.547 2.534 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H]3CC3(C)C)CC2)CC1 ZINC000621044663 480316998 /nfs/dbraw/zinc/31/69/98/480316998.db2.gz KOTIXPSAMKCDRZ-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO c1ccc2c(CCN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)nsc2c1 ZINC000629591868 480321445 /nfs/dbraw/zinc/32/14/45/480321445.db2.gz PPGDAEJBZOXOIP-MRXNPFEDSA-N 1 3 345.512 2.929 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)C1 ZINC000629650358 480343631 /nfs/dbraw/zinc/34/36/31/480343631.db2.gz SDYSZHNLOYNAAG-QWFCFKBJSA-N 1 3 328.456 2.681 20 0 EFADHO COCc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)o1 ZINC000629648609 480343861 /nfs/dbraw/zinc/34/38/61/480343861.db2.gz RZLGZNVCFDIGFU-UHFFFAOYSA-N 1 3 343.471 2.509 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)C1 ZINC000629673811 480353039 /nfs/dbraw/zinc/35/30/39/480353039.db2.gz IWTFHMIEVCSKNK-CXAGYDPISA-N 1 3 335.879 2.504 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596974 480354392 /nfs/dbraw/zinc/35/43/92/480354392.db2.gz RRCWFRHJQURVFN-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596974 480354397 /nfs/dbraw/zinc/35/43/97/480354397.db2.gz RRCWFRHJQURVFN-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1 ZINC000621150383 480360944 /nfs/dbraw/zinc/36/09/44/480360944.db2.gz DQERMGFKCPSMJN-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000621157096 480365460 /nfs/dbraw/zinc/36/54/60/480365460.db2.gz ODFZLGJKDVXVRT-IBGZPJMESA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623641175 480375403 /nfs/dbraw/zinc/37/54/03/480375403.db2.gz LRUYOZGHRXJWPS-ZWKOTPCHSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623641175 480375408 /nfs/dbraw/zinc/37/54/08/480375408.db2.gz LRUYOZGHRXJWPS-ZWKOTPCHSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000623656140 480382383 /nfs/dbraw/zinc/38/23/83/480382383.db2.gz NZVUFSWQXBBUEH-OAHLLOKOSA-N 1 3 328.460 2.907 20 0 EFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000623656139 480383729 /nfs/dbraw/zinc/38/37/29/480383729.db2.gz NZVUFSWQXBBUEH-HNNXBMFYSA-N 1 3 328.460 2.907 20 0 EFADHO CN1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000623655660 480384022 /nfs/dbraw/zinc/38/40/22/480384022.db2.gz BDIQAOGMWNSTCO-CQSZACIVSA-N 1 3 342.443 2.627 20 0 EFADHO Cc1sccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000640467851 480395879 /nfs/dbraw/zinc/39/58/79/480395879.db2.gz NNDLVWRFFHQEMD-UHFFFAOYSA-N 1 3 336.505 2.737 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000635485524 480414268 /nfs/dbraw/zinc/41/42/68/480414268.db2.gz ZILZTYWKTKHBIJ-SFHVURJKSA-N 1 3 329.488 2.672 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000635528928 480443265 /nfs/dbraw/zinc/44/32/65/480443265.db2.gz XWEQWADLWDWYEW-WDSOQIARSA-N 1 3 346.519 2.668 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000644569342 480444636 /nfs/dbraw/zinc/44/46/36/480444636.db2.gz JCQPZRWKLVOSKG-HNNXBMFYSA-N 1 3 325.403 2.757 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635555685 480459243 /nfs/dbraw/zinc/45/92/43/480459243.db2.gz HCOBLOZWYRPGMD-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000635555685 480459248 /nfs/dbraw/zinc/45/92/48/480459248.db2.gz HCOBLOZWYRPGMD-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)Cc1ccc(NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000634717370 480459887 /nfs/dbraw/zinc/45/98/87/480459887.db2.gz KIVCJVYQMKVNAI-OAQYLSRUSA-N 1 3 339.483 2.797 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000634724518 480468085 /nfs/dbraw/zinc/46/80/85/480468085.db2.gz RPUNZAWYGNJOLP-VNQPRFMTSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635576835 480473794 /nfs/dbraw/zinc/47/37/94/480473794.db2.gz XRJMORQLUWTCED-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635576835 480473799 /nfs/dbraw/zinc/47/37/99/480473799.db2.gz XRJMORQLUWTCED-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635575239 480474462 /nfs/dbraw/zinc/47/44/62/480474462.db2.gz QMORDAGDNYBCDB-INIZCTEOSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1C[C@H](NCCN(C)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623832293 480475045 /nfs/dbraw/zinc/47/50/45/480475045.db2.gz UZCDPFFELYFDPU-NVXWUHKLSA-N 1 3 325.447 2.826 20 0 EFADHO C[C@@H]1C[C@H](NCCN(C)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623832293 480475054 /nfs/dbraw/zinc/47/50/54/480475054.db2.gz UZCDPFFELYFDPU-NVXWUHKLSA-N 1 3 325.447 2.826 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629970466 480482137 /nfs/dbraw/zinc/48/21/37/480482137.db2.gz QXUYHWVLIWWGRF-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629970466 480482142 /nfs/dbraw/zinc/48/21/42/480482142.db2.gz QXUYHWVLIWWGRF-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623856161 480487374 /nfs/dbraw/zinc/48/73/74/480487374.db2.gz OJLAQGSSKWHOSK-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623856161 480487379 /nfs/dbraw/zinc/48/73/79/480487379.db2.gz OJLAQGSSKWHOSK-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CCC(C)C)N2CCCC2)c1 ZINC000638051480 480495063 /nfs/dbraw/zinc/49/50/63/480495063.db2.gz IWVYDNBHMFZZJM-RBUKOAKNSA-N 1 3 347.503 2.712 20 0 EFADHO CCOCC[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000644651561 480497403 /nfs/dbraw/zinc/49/74/03/480497403.db2.gz ZLUKEAIACWVPOZ-PMACEKPBSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000644651561 480497407 /nfs/dbraw/zinc/49/74/07/480497407.db2.gz ZLUKEAIACWVPOZ-PMACEKPBSA-N 1 3 334.504 2.666 20 0 EFADHO CCOCC[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000644651561 480497418 /nfs/dbraw/zinc/49/74/18/480497418.db2.gz ZLUKEAIACWVPOZ-PMACEKPBSA-N 1 3 334.504 2.666 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN(C)C3CCC3)C2)s1 ZINC000629991339 480497886 /nfs/dbraw/zinc/49/78/86/480497886.db2.gz WOMHGTGWPXJRGU-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN(C)C3CCC3)C2)s1 ZINC000629991339 480497890 /nfs/dbraw/zinc/49/78/90/480497890.db2.gz WOMHGTGWPXJRGU-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000638063698 480503346 /nfs/dbraw/zinc/50/33/46/480503346.db2.gz OVCUICBOFLHGIN-MOXGXCLJSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000638063698 480503354 /nfs/dbraw/zinc/50/33/54/480503354.db2.gz OVCUICBOFLHGIN-MOXGXCLJSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000638063702 480503622 /nfs/dbraw/zinc/50/36/22/480503622.db2.gz OVCUICBOFLHGIN-QSFXBCCZSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000638063702 480503629 /nfs/dbraw/zinc/50/36/29/480503629.db2.gz OVCUICBOFLHGIN-QSFXBCCZSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000638063963 480503750 /nfs/dbraw/zinc/50/37/50/480503750.db2.gz QJBNMECJXWDVMN-BPAFIMBUSA-N 1 3 345.487 2.624 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000638063963 480503759 /nfs/dbraw/zinc/50/37/59/480503759.db2.gz QJBNMECJXWDVMN-BPAFIMBUSA-N 1 3 345.487 2.624 20 0 EFADHO Cc1cccc([C@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)c1 ZINC000623888648 480504942 /nfs/dbraw/zinc/50/49/42/480504942.db2.gz OLPOCZITPWUCKS-RTBURBONSA-N 1 3 331.504 2.869 20 0 EFADHO Cc1cccc([C@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)c1 ZINC000623888648 480504948 /nfs/dbraw/zinc/50/49/48/480504948.db2.gz OLPOCZITPWUCKS-RTBURBONSA-N 1 3 331.504 2.869 20 0 EFADHO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888780 480506506 /nfs/dbraw/zinc/50/65/06/480506506.db2.gz ULRJTEMGVQMKCG-MJGOQNOKSA-N 1 3 331.504 2.932 20 0 EFADHO CC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888780 480506513 /nfs/dbraw/zinc/50/65/13/480506513.db2.gz ULRJTEMGVQMKCG-MJGOQNOKSA-N 1 3 331.504 2.932 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635619393 480511442 /nfs/dbraw/zinc/51/14/42/480511442.db2.gz JBDAAKZPBRKEPY-PMACEKPBSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635619393 480511450 /nfs/dbraw/zinc/51/14/50/480511450.db2.gz JBDAAKZPBRKEPY-PMACEKPBSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635619395 480511530 /nfs/dbraw/zinc/51/15/30/480511530.db2.gz JBDAAKZPBRKEPY-VQTJNVASSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635619395 480511541 /nfs/dbraw/zinc/51/15/41/480511541.db2.gz JBDAAKZPBRKEPY-VQTJNVASSA-N 1 3 341.499 2.736 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000638086556 480524798 /nfs/dbraw/zinc/52/47/98/480524798.db2.gz ZLWGWVYHVTZRNU-QGZVFWFLSA-N 1 3 337.533 2.840 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000638104002 480536165 /nfs/dbraw/zinc/53/61/65/480536165.db2.gz JVOQUMMMMFRKQN-UHFFFAOYSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638118577 480545846 /nfs/dbraw/zinc/54/58/46/480545846.db2.gz AURKEEMAJYXTNY-NZSAHSFTSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638118577 480545853 /nfs/dbraw/zinc/54/58/53/480545853.db2.gz AURKEEMAJYXTNY-NZSAHSFTSA-N 1 3 331.504 2.777 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623966707 480546602 /nfs/dbraw/zinc/54/66/02/480546602.db2.gz LICARIYPCASGNR-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623966707 480546606 /nfs/dbraw/zinc/54/66/06/480546606.db2.gz LICARIYPCASGNR-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000621507311 480562773 /nfs/dbraw/zinc/56/27/73/480562773.db2.gz VRAOPBJSTKMRBU-ROUUACIJSA-N 1 3 343.515 2.544 20 0 EFADHO COc1cccc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)OC)c1 ZINC000624032745 480576820 /nfs/dbraw/zinc/57/68/20/480576820.db2.gz XGFOBOVEBZMTLX-UXHICEINSA-N 1 3 348.487 2.616 20 0 EFADHO CCN(CC[NH3+])C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000626922219 480581645 /nfs/dbraw/zinc/58/16/45/480581645.db2.gz RAPYOXGEYREALM-HNNXBMFYSA-N 1 3 338.521 2.511 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635727432 480590169 /nfs/dbraw/zinc/59/01/69/480590169.db2.gz YTHGSKKBOBMBNG-INIZCTEOSA-N 1 3 346.519 2.701 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635727432 480590172 /nfs/dbraw/zinc/59/01/72/480590172.db2.gz YTHGSKKBOBMBNG-INIZCTEOSA-N 1 3 346.519 2.701 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119816 480619499 /nfs/dbraw/zinc/61/94/99/480619499.db2.gz KKNOPLHKGJKZNC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119816 480619504 /nfs/dbraw/zinc/61/95/04/480619504.db2.gz KKNOPLHKGJKZNC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119816 480619508 /nfs/dbraw/zinc/61/95/08/480619508.db2.gz KKNOPLHKGJKZNC-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635780737 480627252 /nfs/dbraw/zinc/62/72/52/480627252.db2.gz SJKQFKYICYNITC-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635780737 480627258 /nfs/dbraw/zinc/62/72/58/480627258.db2.gz SJKQFKYICYNITC-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C ZINC000627033675 480631810 /nfs/dbraw/zinc/63/18/10/480631810.db2.gz PZJKAUMWXHTETE-JQHSSLGASA-N 1 3 344.503 2.570 20 0 EFADHO Cc1cc(F)c(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000644903555 480637215 /nfs/dbraw/zinc/63/72/15/480637215.db2.gz IZSODHXBBWNDRO-INIZCTEOSA-N 1 3 337.458 2.874 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618354053 480637635 /nfs/dbraw/zinc/63/76/35/480637635.db2.gz SKJKCVWLWNIWHX-IEBWSBKVSA-N 1 3 345.531 2.929 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355041 480641034 /nfs/dbraw/zinc/64/10/34/480641034.db2.gz NOKBUKWJQIHASZ-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355041 480641041 /nfs/dbraw/zinc/64/10/41/480641041.db2.gz NOKBUKWJQIHASZ-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618355040 480641470 /nfs/dbraw/zinc/64/14/70/480641470.db2.gz NOKBUKWJQIHASZ-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618355040 480641477 /nfs/dbraw/zinc/64/14/77/480641477.db2.gz NOKBUKWJQIHASZ-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CCc1ccc([C@@H](CNC2CC[NH+](CC(C)(C)O)CC2)N(C)C)cc1 ZINC000638287444 480644934 /nfs/dbraw/zinc/64/49/34/480644934.db2.gz DYCWMAXFPZKMDG-HXUWFJFHSA-N 1 3 347.547 2.677 20 0 EFADHO CCc1ccc([C@@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)N(C)C)cc1 ZINC000638287444 480644941 /nfs/dbraw/zinc/64/49/41/480644941.db2.gz DYCWMAXFPZKMDG-HXUWFJFHSA-N 1 3 347.547 2.677 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](c1ccccc1)N(C)C ZINC000635811071 480647011 /nfs/dbraw/zinc/64/70/11/480647011.db2.gz MAMDLPDWHXVJSO-AEFFLSMTSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3nccnc3c2)C[C@@H](C)O1 ZINC000634963293 480664766 /nfs/dbraw/zinc/66/47/66/480664766.db2.gz PDJWLUMYNRUCJZ-HZPDHXFCSA-N 1 3 328.460 2.609 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3nccnc3c2)C[C@H](C)O1 ZINC000634963294 480665341 /nfs/dbraw/zinc/66/53/41/480665341.db2.gz PDJWLUMYNRUCJZ-IYBDPMFKSA-N 1 3 328.460 2.609 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[NH+]3CCC(C)CC3)cc2)CCOC1 ZINC000638326967 480666570 /nfs/dbraw/zinc/66/65/70/480666570.db2.gz ASIHVNMTUGRTDE-HXUWFJFHSA-N 1 3 332.488 2.814 20 0 EFADHO O=C1CC[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCN1 ZINC000634981832 480673865 /nfs/dbraw/zinc/67/38/65/480673865.db2.gz UOVNKOIBHGMQKG-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1CC[C@@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCN1 ZINC000634981834 480674259 /nfs/dbraw/zinc/67/42/59/480674259.db2.gz UOVNKOIBHGMQKG-RBUKOAKNSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)O[C@H](C[NH2+]CCCCN1CCN(C)CC1)c1ccccc1 ZINC000638358734 480682646 /nfs/dbraw/zinc/68/26/46/480682646.db2.gz BKWVUYUQBNXMRI-HXUWFJFHSA-N 1 3 333.520 2.770 20 0 EFADHO C[C@@H](C[NH+]1CCC(NCCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC000635002344 480683288 /nfs/dbraw/zinc/68/32/88/480683288.db2.gz OADYNJGLSYSSBX-ZDUSSCGKSA-N 1 3 330.394 2.855 20 0 EFADHO Cc1c([C@H](C)N[C@H]2CC[C@H](C[NH3+])CC2)nnn1-c1ccc(F)cc1 ZINC000635005165 480683947 /nfs/dbraw/zinc/68/39/47/480683947.db2.gz HFRMPWOOVUWVIJ-NOLJZWGESA-N 1 3 331.439 2.883 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1nc2c(s1)CCCC2 ZINC000635008333 480684474 /nfs/dbraw/zinc/68/44/74/480684474.db2.gz IWUUSPXONPMSII-CYBMUJFWSA-N 1 3 343.500 3.000 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635007054 480684592 /nfs/dbraw/zinc/68/45/92/480684592.db2.gz DKNORSFOOJTDCU-AWEZNQCLSA-N 1 3 339.443 2.623 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccccc1N(C)C ZINC000635006579 480685325 /nfs/dbraw/zinc/68/53/25/480685325.db2.gz BVJXFUIVMLZPTO-HNNXBMFYSA-N 1 3 325.460 2.730 20 0 EFADHO COc1ccc2c(c1)C[C@H](NCC[C@@H]([NH3+])Cc1ccccc1)CO2 ZINC000635007365 480685428 /nfs/dbraw/zinc/68/54/28/480685428.db2.gz OHIXFNCLSGOWKE-MSOLQXFVSA-N 1 3 326.440 2.548 20 0 EFADHO COc1ccc(OC)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635007767 480685484 /nfs/dbraw/zinc/68/54/84/480685484.db2.gz GRXMSTKLFXCVDK-CQSZACIVSA-N 1 3 342.443 2.682 20 0 EFADHO c1c[nH]c([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CCCCC2)n1 ZINC000635009505 480686416 /nfs/dbraw/zinc/68/64/16/480686416.db2.gz HNXKJSLCFXGCTO-SFHVURJKSA-N 1 3 340.475 2.948 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(-n2cccn2)cc1 ZINC000635010886 480687011 /nfs/dbraw/zinc/68/70/11/480687011.db2.gz WLQDXVINHKGJPI-MRXNPFEDSA-N 1 3 348.454 2.850 20 0 EFADHO Cc1c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cnn1C(C)(C)C ZINC000635010770 480687166 /nfs/dbraw/zinc/68/71/66/480687166.db2.gz VIGISDXXDHDNJH-CQSZACIVSA-N 1 3 342.491 2.924 20 0 EFADHO COc1cc(C)ccc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009202 480687271 /nfs/dbraw/zinc/68/72/71/480687271.db2.gz MGPFCKIQJXBLGH-OAHLLOKOSA-N 1 3 326.444 2.981 20 0 EFADHO CO[C@@H](c1ccccc1)[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011108 480687484 /nfs/dbraw/zinc/68/74/84/480687484.db2.gz XOIWKPJCGYKPRS-DNVCBOLYSA-N 1 3 326.444 2.679 20 0 EFADHO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1Br ZINC000635012652 480689003 /nfs/dbraw/zinc/68/90/03/480689003.db2.gz NAAFTYWZCXLFTB-UXIGCNINSA-N 1 3 327.266 2.599 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638374748 480693390 /nfs/dbraw/zinc/69/33/90/480693390.db2.gz SLEAEZODZPRDJR-LPHOPBHVSA-N 1 3 333.545 2.808 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)ccn1 ZINC000638379835 480695950 /nfs/dbraw/zinc/69/59/50/480695950.db2.gz OYDXOASDBOIWDK-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC000635931462 480711297 /nfs/dbraw/zinc/71/12/97/480711297.db2.gz RKBKKIIOBLGFSK-SFHVURJKSA-N 1 3 347.503 2.535 20 0 EFADHO CCCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H]1CCN(C)C1 ZINC000645162530 480724620 /nfs/dbraw/zinc/72/46/20/480724620.db2.gz NKEMYKKMEMYKPR-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCN(C)C1 ZINC000645199844 480739888 /nfs/dbraw/zinc/73/98/88/480739888.db2.gz VRPXKESTOJGWTE-AOIWGVFYSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1 ZINC000645202747 480741703 /nfs/dbraw/zinc/74/17/03/480741703.db2.gz WYEGRIBQWUFRRP-IBGZPJMESA-N 1 3 334.504 2.905 20 0 EFADHO CC(C)c1nc(CCNC2CC[NH+](CC(C)(C)O)CC2)cs1 ZINC000638482016 480745093 /nfs/dbraw/zinc/74/50/93/480745093.db2.gz WVUYLMSDSOZLFF-UHFFFAOYSA-N 1 3 325.522 2.634 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000632845328 480752297 /nfs/dbraw/zinc/75/22/97/480752297.db2.gz FHLXHBVLCYEAJY-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCOC[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638522355 480763154 /nfs/dbraw/zinc/76/31/54/480763154.db2.gz PKMSAAIHQKXNPH-LMNJBCLMSA-N 1 3 344.499 2.997 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCOC[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638522355 480763160 /nfs/dbraw/zinc/76/31/60/480763160.db2.gz PKMSAAIHQKXNPH-LMNJBCLMSA-N 1 3 344.499 2.997 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000630580956 480791453 /nfs/dbraw/zinc/79/14/53/480791453.db2.gz MKMZFNRJVYSODZ-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000632922668 480799379 /nfs/dbraw/zinc/79/93/79/480799379.db2.gz IROXYGXZUDZRGD-CVEARBPZSA-N 1 3 346.475 2.505 20 0 EFADHO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638718136 480840206 /nfs/dbraw/zinc/84/02/06/480840206.db2.gz DSNABMDIQLUSLU-OXQOHEQNSA-N 1 3 334.504 2.794 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]CCC2CCOCC2)CC1 ZINC000638718807 480840260 /nfs/dbraw/zinc/84/02/60/480840260.db2.gz LSCKBSVDPUAFIB-UHFFFAOYSA-N 1 3 332.488 2.550 20 0 EFADHO CC[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(F)c1 ZINC000638722117 480841733 /nfs/dbraw/zinc/84/17/33/480841733.db2.gz ZXZQUWIZQFZHNM-QGZVFWFLSA-N 1 3 338.467 2.808 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCOCC2 ZINC000630682931 480842034 /nfs/dbraw/zinc/84/20/34/480842034.db2.gz WYVZISMHVUFGRW-GBESFXJTSA-N 1 3 332.488 2.510 20 0 EFADHO CCO[C@@H]1C[C@H](NCC[C@H]([NH3+])Cc2ccccc2)C12CCOCC2 ZINC000630682931 480842039 /nfs/dbraw/zinc/84/20/39/480842039.db2.gz WYVZISMHVUFGRW-GBESFXJTSA-N 1 3 332.488 2.510 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638745815 480850447 /nfs/dbraw/zinc/85/04/47/480850447.db2.gz BEFXZXAYTUNJDD-HBFSDRIKSA-N 1 3 341.499 2.955 20 0 EFADHO CCC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000638745815 480850454 /nfs/dbraw/zinc/85/04/54/480850454.db2.gz BEFXZXAYTUNJDD-HBFSDRIKSA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H](CC(N)=O)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638760339 480855248 /nfs/dbraw/zinc/85/52/48/480855248.db2.gz OMPLUUXZFSUKEV-OXQOHEQNSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](CC(N)=O)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638760339 480855252 /nfs/dbraw/zinc/85/52/52/480855252.db2.gz OMPLUUXZFSUKEV-OXQOHEQNSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](CC(N)=O)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638760339 480855254 /nfs/dbraw/zinc/85/52/54/480855254.db2.gz OMPLUUXZFSUKEV-OXQOHEQNSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000645479930 480861852 /nfs/dbraw/zinc/86/18/52/480861852.db2.gz KWNVEMBIOUPMCZ-WOJBJXKFSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645501284 480870459 /nfs/dbraw/zinc/87/04/59/480870459.db2.gz WLKKDAOKCZLZKU-CRAIPNDOSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645501284 480870461 /nfs/dbraw/zinc/87/04/61/480870461.db2.gz WLKKDAOKCZLZKU-CRAIPNDOSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645502838 480870599 /nfs/dbraw/zinc/87/05/99/480870599.db2.gz IIUJOKOGHSSSSB-YJBOKZPZSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2NCC2(C)C)cc1 ZINC000645502838 480870603 /nfs/dbraw/zinc/87/06/03/480870603.db2.gz IIUJOKOGHSSSSB-YJBOKZPZSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000641226592 480875557 /nfs/dbraw/zinc/87/55/57/480875557.db2.gz CYFMRDWHWIHNIG-NZSAHSFTSA-N 1 3 344.503 2.562 20 0 EFADHO CCN1CCC[C@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633083664 480876077 /nfs/dbraw/zinc/87/60/77/480876077.db2.gz XSFUVYUVUUOLJB-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000633092737 480879057 /nfs/dbraw/zinc/87/90/57/480879057.db2.gz LQHYIDXLFIWZSK-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2NCC2(C)C)C1 ZINC000645541887 480885757 /nfs/dbraw/zinc/88/57/57/480885757.db2.gz HYHZFUXYJHLKME-GPMSIDNRSA-N 1 3 343.515 2.779 20 0 EFADHO COC[C@H](O)CC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638829583 480887016 /nfs/dbraw/zinc/88/70/16/480887016.db2.gz LRSWGTJKCDIMQM-CTNGQTDRSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NCCc2csc(C(C)(C)C)n2)CC1 ZINC000638829570 480887042 /nfs/dbraw/zinc/88/70/42/480887042.db2.gz LGEOLSDVIPGZJV-UHFFFAOYSA-N 1 3 339.549 2.808 20 0 EFADHO CN(C)C[C@H](NC(=O)CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000638829103 480887094 /nfs/dbraw/zinc/88/70/94/480887094.db2.gz IXNWCCRYJUFBJX-HNNXBMFYSA-N 1 3 343.393 2.566 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000638830166 480887948 /nfs/dbraw/zinc/88/79/48/480887948.db2.gz MUFBVSIGAXTDMT-CQSZACIVSA-N 1 3 343.393 2.553 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836204 480889987 /nfs/dbraw/zinc/88/99/87/480889987.db2.gz RMJMONATWPCMQY-IIBYNOLFSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836204 480889993 /nfs/dbraw/zinc/88/99/93/480889993.db2.gz RMJMONATWPCMQY-IIBYNOLFSA-N 1 3 349.478 2.788 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@]12CCCO2 ZINC000638836997 480890614 /nfs/dbraw/zinc/89/06/14/480890614.db2.gz NLCZDGMTNHAEKZ-VAMGGRTRSA-N 1 3 345.487 2.614 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638854250 480898379 /nfs/dbraw/zinc/89/83/79/480898379.db2.gz OGZGAJOQKXZEHA-UHOSZYNNSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638854250 480898383 /nfs/dbraw/zinc/89/83/83/480898383.db2.gz OGZGAJOQKXZEHA-UHOSZYNNSA-N 1 3 331.504 2.634 20 0 EFADHO C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000638858702 480900086 /nfs/dbraw/zinc/90/00/86/480900086.db2.gz BEOGXCLOLHQAQE-FUHWJXTLSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC000636326509 480907883 /nfs/dbraw/zinc/90/78/83/480907883.db2.gz BFXZENLIYWAOAO-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000645682989 480914261 /nfs/dbraw/zinc/91/42/61/480914261.db2.gz ASPGAELBWUWZOZ-ZWKOTPCHSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)c3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000639000707 480927987 /nfs/dbraw/zinc/92/79/87/480927987.db2.gz AICDAYSBSUBEEI-IBGZPJMESA-N 1 3 349.478 2.645 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000639005890 480929314 /nfs/dbraw/zinc/92/93/14/480929314.db2.gz QMWCBCQLSAZWRY-SXLOBPIMSA-N 1 3 343.515 2.711 20 0 EFADHO O=C(NC1CC1)c1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000647483581 480960641 /nfs/dbraw/zinc/96/06/41/480960641.db2.gz WNMDITDEVBHAJW-LJQANCHMSA-N 1 3 327.472 2.543 20 0 EFADHO CN(C)CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000647489024 480963055 /nfs/dbraw/zinc/96/30/55/480963055.db2.gz JUUUSXNAFNWQEH-WOJBJXKFSA-N 1 3 331.504 2.734 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(F)c(-c2cccs2)c1 ZINC000647493256 480963456 /nfs/dbraw/zinc/96/34/56/480963456.db2.gz XQFBXGHKNPAPAF-UHFFFAOYSA-N 1 3 333.476 2.891 20 0 EFADHO COc1ccccc1-c1ccc(CN(C)CCN2CC[NH2+]CC2)cc1 ZINC000647492755 480963601 /nfs/dbraw/zinc/96/36/01/480963601.db2.gz WYORDFCVWXSIFZ-UHFFFAOYSA-N 1 3 339.483 2.699 20 0 EFADHO CC(C)Oc1ccc2ccccc2c1CN(C)CCN1CC[NH2+]CC1 ZINC000647493017 480963801 /nfs/dbraw/zinc/96/38/01/480963801.db2.gz OZMDREATRPKQSX-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000661370955 480969773 /nfs/dbraw/zinc/96/97/73/480969773.db2.gz VLOHLFBYPBEADX-QRQLOZEOSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000661370955 480969781 /nfs/dbraw/zinc/96/97/81/480969781.db2.gz VLOHLFBYPBEADX-QRQLOZEOSA-N 1 3 348.535 2.710 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669184408 480982306 /nfs/dbraw/zinc/98/23/06/480982306.db2.gz YXBJMOMZMQBRGZ-YZGWKJHDSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669184408 480982317 /nfs/dbraw/zinc/98/23/17/480982317.db2.gz YXBJMOMZMQBRGZ-YZGWKJHDSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669184405 480982999 /nfs/dbraw/zinc/98/29/99/480982999.db2.gz YXBJMOMZMQBRGZ-HOJAQTOUSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669184405 480983005 /nfs/dbraw/zinc/98/30/05/480983005.db2.gz YXBJMOMZMQBRGZ-HOJAQTOUSA-N 1 3 343.515 2.540 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543069 480989555 /nfs/dbraw/zinc/98/95/55/480989555.db2.gz HFAIZFZRRYLAIT-CVEARBPZSA-N 1 3 334.460 2.621 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1OC ZINC000647542919 480990319 /nfs/dbraw/zinc/99/03/19/480990319.db2.gz DROFDHCRUMJUGY-IRXDYDNUSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543585 480992742 /nfs/dbraw/zinc/99/27/42/480992742.db2.gz PWQZHTPXIQWBFF-CVEARBPZSA-N 1 3 348.487 2.924 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc2n1 ZINC000647543506 480993582 /nfs/dbraw/zinc/99/35/82/480993582.db2.gz OLOASCPNMVRFKA-IAGOWNOFSA-N 1 3 327.476 2.558 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc(-c2cccc(F)c2)no1 ZINC000647551574 480997358 /nfs/dbraw/zinc/99/73/58/480997358.db2.gz WGGXTTWCVDCYTL-ADSMDIBLSA-N 1 3 330.407 2.914 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647551555 480998123 /nfs/dbraw/zinc/99/81/23/480998123.db2.gz VDFOKKFJUVJCHJ-JENIJYKNSA-N 1 3 328.504 2.629 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2)c1 ZINC000647553379 480999094 /nfs/dbraw/zinc/99/90/94/480999094.db2.gz YCLHJISNVRWGEW-AWEZNQCLSA-N 1 3 327.428 2.661 20 0 EFADHO CC1(C)CN[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000645982295 481002551 /nfs/dbraw/zinc/00/25/51/481002551.db2.gz CCBRESXTLYERSD-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO CCCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658475 481013971 /nfs/dbraw/zinc/01/39/71/481013971.db2.gz GWSWHRJGBYADNO-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCN(C)C1 ZINC000666658475 481013976 /nfs/dbraw/zinc/01/39/76/481013976.db2.gz GWSWHRJGBYADNO-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccccc2n1C ZINC000639169996 481014053 /nfs/dbraw/zinc/01/40/53/481014053.db2.gz NJINSSVYYVHULH-UHFFFAOYSA-N 1 3 328.504 2.636 20 0 EFADHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cn1cccn1 ZINC000639177202 481019696 /nfs/dbraw/zinc/01/96/96/481019696.db2.gz BJPUBTPVDYRRNF-QFBILLFUSA-N 1 3 342.487 2.712 20 0 EFADHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cn1cccn1 ZINC000639177202 481019700 /nfs/dbraw/zinc/01/97/00/481019700.db2.gz BJPUBTPVDYRRNF-QFBILLFUSA-N 1 3 342.487 2.712 20 0 EFADHO COc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cn1cccn1 ZINC000639177197 481019946 /nfs/dbraw/zinc/01/99/46/481019946.db2.gz BJPUBTPVDYRRNF-APWZRJJASA-N 1 3 342.487 2.712 20 0 EFADHO COc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cn1cccn1 ZINC000639177197 481019958 /nfs/dbraw/zinc/01/99/58/481019958.db2.gz BJPUBTPVDYRRNF-APWZRJJASA-N 1 3 342.487 2.712 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000664110383 481027400 /nfs/dbraw/zinc/02/74/00/481027400.db2.gz WHVVCBISFHZVBJ-SJLPKXTDSA-N 1 3 346.519 2.899 20 0 EFADHO CO[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194498 481036588 /nfs/dbraw/zinc/03/65/88/481036588.db2.gz DRGWNRXUADDHIA-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194498 481036590 /nfs/dbraw/zinc/03/65/90/481036590.db2.gz DRGWNRXUADDHIA-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194498 481036596 /nfs/dbraw/zinc/03/65/96/481036596.db2.gz DRGWNRXUADDHIA-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCCCCO)C2)C1 ZINC000639207910 481045541 /nfs/dbraw/zinc/04/55/41/481045541.db2.gz KZPWWAFFVUNTPO-HXUWFJFHSA-N 1 3 332.488 2.756 20 0 EFADHO CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OCCCCO)C2)C1 ZINC000639207910 481045548 /nfs/dbraw/zinc/04/55/48/481045548.db2.gz KZPWWAFFVUNTPO-HXUWFJFHSA-N 1 3 332.488 2.756 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641774056 481066417 /nfs/dbraw/zinc/06/64/17/481066417.db2.gz BHJVYVSCRQWXJZ-RBUKOAKNSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H](c2ccccc2)C2CCC2)C1 ZINC000641774056 481066423 /nfs/dbraw/zinc/06/64/23/481066423.db2.gz BHJVYVSCRQWXJZ-RBUKOAKNSA-N 1 3 329.488 2.705 20 0 EFADHO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000641789255 481077621 /nfs/dbraw/zinc/07/76/21/481077621.db2.gz MQIRCJLNNUCLOB-DZGCQCFKSA-N 1 3 341.293 2.865 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641790423 481080851 /nfs/dbraw/zinc/08/08/51/481080851.db2.gz UHVQSQRULKNODA-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000666759312 481083144 /nfs/dbraw/zinc/08/31/44/481083144.db2.gz DPNXJWBLURZXGK-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C[C@H]1C ZINC000666758510 481084060 /nfs/dbraw/zinc/08/40/60/481084060.db2.gz UDLGKJGZKMHLQX-KSZLIROESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CCC(C)CC2)C[C@H]1C ZINC000666758510 481084071 /nfs/dbraw/zinc/08/40/71/481084071.db2.gz UDLGKJGZKMHLQX-KSZLIROESA-N 1 3 338.540 2.621 20 0 EFADHO CC1(C)[C@H]([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1N ZINC000641803885 481088635 /nfs/dbraw/zinc/08/86/35/481088635.db2.gz VVNAUQAHPXEVKS-QWHCGFSZSA-N 1 3 329.366 2.749 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653116597 481090258 /nfs/dbraw/zinc/09/02/58/481090258.db2.gz MOLRSTLPBFUIPU-QRQLOZEOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653119228 481090365 /nfs/dbraw/zinc/09/03/65/481090365.db2.gz BVQQWTNRZWWJRR-HOJAQTOUSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653116596 481090520 /nfs/dbraw/zinc/09/05/20/481090520.db2.gz MOLRSTLPBFUIPU-NZSAHSFTSA-N 1 3 329.488 2.545 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000653120282 481091442 /nfs/dbraw/zinc/09/14/42/481091442.db2.gz MPWTWSCXMZRBIY-KRWDZBQOSA-N 1 3 345.487 2.798 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@@H]3C[C@H]([NH3+])C3(C)C)n2)cc1F ZINC000641808924 481092894 /nfs/dbraw/zinc/09/28/94/481092894.db2.gz UZKHWZNFVUFWHY-LSDHHAIUSA-N 1 3 332.423 2.832 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@@H]1c1cccs1 ZINC000653121925 481093795 /nfs/dbraw/zinc/09/37/95/481093795.db2.gz GWIHKXRDHCYACP-MUQADHOPSA-N 1 3 347.528 2.778 20 0 EFADHO C[C@H](CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000646105966 481093950 /nfs/dbraw/zinc/09/39/50/481093950.db2.gz NMGPXELWGZLQDW-YZGWKJHDSA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647791640 481108498 /nfs/dbraw/zinc/10/84/98/481108498.db2.gz JQLGCZGAAASHAI-MBNYWOFBSA-N 1 3 339.277 2.935 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C)([NH3+])CC2)N2CCCC2)cc1 ZINC000669427476 481117068 /nfs/dbraw/zinc/11/70/68/481117068.db2.gz KPYRUZRAZVUWGD-GOSISDBHSA-N 1 3 344.503 2.655 20 0 EFADHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)N[C@H]1CCCc2ccccc21 ZINC000647814647 481122617 /nfs/dbraw/zinc/12/26/17/481122617.db2.gz XPGAPBLJXLSYKO-FQEVSTJZSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(CC[N@H+](C1CC1)C1CCNCC1)N[C@H]1CCCc2ccccc21 ZINC000647814647 481122623 /nfs/dbraw/zinc/12/26/23/481122623.db2.gz XPGAPBLJXLSYKO-FQEVSTJZSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)N[C@H]1CCCc2ccccc21 ZINC000647814647 481122628 /nfs/dbraw/zinc/12/26/28/481122628.db2.gz XPGAPBLJXLSYKO-FQEVSTJZSA-N 1 3 341.499 2.787 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(CC)CC1 ZINC000641973906 481134340 /nfs/dbraw/zinc/13/43/40/481134340.db2.gz OKWHMNRGYLAWJR-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639340197 481138507 /nfs/dbraw/zinc/13/85/07/481138507.db2.gz ICPJKRHTFQWBLG-NLWGTHIKSA-N 1 3 327.472 2.565 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639340197 481138514 /nfs/dbraw/zinc/13/85/14/481138514.db2.gz ICPJKRHTFQWBLG-NLWGTHIKSA-N 1 3 327.472 2.565 20 0 EFADHO CCCCCN(CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)Cc1ccccc1 ZINC000653200666 481146172 /nfs/dbraw/zinc/14/61/72/481146172.db2.gz LQTYCPSZRSEFTC-FPOVZHCZSA-N 1 3 343.515 2.795 20 0 EFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[C@H]1[NH3+] ZINC000669479712 481146845 /nfs/dbraw/zinc/14/68/45/481146845.db2.gz PKRXVYVOVXHHET-JFIYKMOQSA-N 1 3 346.519 2.885 20 0 EFADHO CC[N@H+](CCCNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000653200642 481146722 /nfs/dbraw/zinc/14/67/22/481146722.db2.gz LCWRHZJRDKVCIC-LJQANCHMSA-N 1 3 331.504 2.717 20 0 EFADHO CC[N@@H+](CCCNC(=O)[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000653200642 481146725 /nfs/dbraw/zinc/14/67/25/481146725.db2.gz LCWRHZJRDKVCIC-LJQANCHMSA-N 1 3 331.504 2.717 20 0 EFADHO CC[N@H+](CCCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000653200997 481147021 /nfs/dbraw/zinc/14/70/21/481147021.db2.gz WLYOFFGUKNCQAU-LJQANCHMSA-N 1 3 331.504 2.890 20 0 EFADHO CC[N@@H+](CCCNC(=O)[C@H](CN)c1ccccc1)C1CCCCC1 ZINC000653200997 481147030 /nfs/dbraw/zinc/14/70/30/481147030.db2.gz WLYOFFGUKNCQAU-LJQANCHMSA-N 1 3 331.504 2.890 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483667 481150940 /nfs/dbraw/zinc/15/09/40/481150940.db2.gz GUTHXGKCLZDBGF-CEXWTWQISA-N 1 3 344.503 2.783 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483568 481151127 /nfs/dbraw/zinc/15/11/27/481151127.db2.gz BIGBGGRPAOTTEI-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO O=C(NCCC[NH2+]C1CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483683 481151343 /nfs/dbraw/zinc/15/13/43/481151343.db2.gz HVGVNKJFMJAKCY-IBGZPJMESA-N 1 3 344.503 2.655 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483985 481152172 /nfs/dbraw/zinc/15/21/72/481152172.db2.gz WTOUYJSLPHVUJI-OALUTQOASA-N 1 3 346.519 2.886 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483986 481152186 /nfs/dbraw/zinc/15/21/86/481152186.db2.gz WTOUYJSLPHVUJI-RBUKOAKNSA-N 1 3 346.519 2.886 20 0 EFADHO CN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000669484036 481152734 /nfs/dbraw/zinc/15/27/34/481152734.db2.gz ZLLNEOZPSZPRQH-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]1[C@H](C)NCCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483968 481153124 /nfs/dbraw/zinc/15/31/24/481153124.db2.gz WBRADOZJHJOWET-SCTDSRPQSA-N 1 3 344.503 2.605 20 0 EFADHO CN(CCCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000647886079 481157302 /nfs/dbraw/zinc/15/73/02/481157302.db2.gz OFAFSZIULPOMBA-LJQANCHMSA-N 1 3 329.488 2.894 20 0 EFADHO O=C1CC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1 ZINC000661598924 481157794 /nfs/dbraw/zinc/15/77/94/481157794.db2.gz YKHFYIWCEJJBRJ-VQTJNVASSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000669490643 481158616 /nfs/dbraw/zinc/15/86/16/481158616.db2.gz RMDMPIUKIGQXJP-KXBFYZLASA-N 1 3 346.519 2.839 20 0 EFADHO [NH3+]Cc1ccc(CNC(=O)c2cccc(CN3CCCC3)c2)c(F)c1 ZINC000653224354 481160890 /nfs/dbraw/zinc/16/08/90/481160890.db2.gz SPGDKRVJFYZLNX-UHFFFAOYSA-N 1 3 341.430 2.810 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000646219011 481163551 /nfs/dbraw/zinc/16/35/51/481163551.db2.gz AUOTWTMZLAZGAK-HXUWFJFHSA-N 1 3 342.483 2.662 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000646219011 481163559 /nfs/dbraw/zinc/16/35/59/481163559.db2.gz AUOTWTMZLAZGAK-HXUWFJFHSA-N 1 3 342.483 2.662 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659019189 481163856 /nfs/dbraw/zinc/16/38/56/481163856.db2.gz WQSMKHVWUKMVRJ-CQSZACIVSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659019189 481163865 /nfs/dbraw/zinc/16/38/65/481163865.db2.gz WQSMKHVWUKMVRJ-CQSZACIVSA-N 1 3 330.476 2.574 20 0 EFADHO COc1ccccc1[C@H](N)CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000669508762 481169350 /nfs/dbraw/zinc/16/93/50/481169350.db2.gz NWRMCZHLFAAXCD-SJLPKXTDSA-N 1 3 341.455 2.537 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000664320969 481175379 /nfs/dbraw/zinc/17/53/79/481175379.db2.gz AXTHUVDYUARJAE-LMMKCTJWSA-N 1 3 346.519 2.536 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000669530252 481185530 /nfs/dbraw/zinc/18/55/30/481185530.db2.gz XWIBGAKMYSSIAB-RBUKOAKNSA-N 1 3 346.519 2.983 20 0 EFADHO CN(CCN1CCCCC1)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000653275193 481198414 /nfs/dbraw/zinc/19/84/14/481198414.db2.gz YWSUSUFDJWKVCU-UHFFFAOYSA-N 1 3 343.515 2.787 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000646279094 481200964 /nfs/dbraw/zinc/20/09/64/481200964.db2.gz XHVNTAXWUYUEJD-LJQANCHMSA-N 1 3 341.455 2.698 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669562528 481209500 /nfs/dbraw/zinc/20/95/00/481209500.db2.gz DMCUWINIBMBBHE-MOPGFXCFSA-N 1 3 346.519 2.584 20 0 EFADHO COc1ccc(CN[C@H]2CC23CC[NH2+]CC3)cc1Br ZINC000666950881 481215421 /nfs/dbraw/zinc/21/54/21/481215421.db2.gz OTUVLORANQOPAE-AWEZNQCLSA-N 1 3 325.250 2.689 20 0 EFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)NCC1([NH3+])CCC1 ZINC000646306402 481216562 /nfs/dbraw/zinc/21/65/62/481216562.db2.gz ONZCWLUSFHXQDW-MRXNPFEDSA-N 1 3 345.487 2.551 20 0 EFADHO COc1cc(CN[C@@H]2CC23CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000666954139 481217233 /nfs/dbraw/zinc/21/72/33/481217233.db2.gz QTBGIWPCAARQPS-OAHLLOKOSA-N 1 3 344.377 2.868 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965207 481217612 /nfs/dbraw/zinc/21/76/12/481217612.db2.gz LQKAJWZNKINBPL-RCCFBDPRSA-N 1 3 326.525 2.747 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965207 481217621 /nfs/dbraw/zinc/21/76/21/481217621.db2.gz LQKAJWZNKINBPL-RCCFBDPRSA-N 1 3 326.525 2.747 20 0 EFADHO CN(C)CCOc1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)cc1 ZINC000669577372 481221690 /nfs/dbraw/zinc/22/16/90/481221690.db2.gz IVDVPLUSGQXKHD-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000669583447 481224966 /nfs/dbraw/zinc/22/49/66/481224966.db2.gz CUZJMQKZRSHBPZ-RDJZCZTQSA-N 1 3 332.492 2.509 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000647975541 481227223 /nfs/dbraw/zinc/22/72/23/481227223.db2.gz BQKZOAOJUJJFQN-ZGXWSNOMSA-N 1 3 347.547 2.879 20 0 EFADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975546 481227697 /nfs/dbraw/zinc/22/76/97/481227697.db2.gz BQLFCJSXVYDYRJ-YBXZHIRMSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CCC(N(C)C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975545 481228442 /nfs/dbraw/zinc/22/84/42/481228442.db2.gz BQLFCJSXVYDYRJ-QGLXBCBXSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976659 481230516 /nfs/dbraw/zinc/23/05/16/481230516.db2.gz RRSMINHUFZLDEJ-OTWHNJEPSA-N 1 3 329.488 2.528 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976991 481231347 /nfs/dbraw/zinc/23/13/47/481231347.db2.gz WQVARBCZMKAYOF-MSOLQXFVSA-N 1 3 330.472 2.980 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976353 481231408 /nfs/dbraw/zinc/23/14/08/481231408.db2.gz NIDNGYDNLQJDGI-DFQSSKMNSA-N 1 3 343.515 2.711 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647977399 481233031 /nfs/dbraw/zinc/23/30/31/481233031.db2.gz AVTOAUCWWBWBAK-HOTGVXAUSA-N 1 3 349.544 2.638 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977743 481233895 /nfs/dbraw/zinc/23/38/95/481233895.db2.gz GZGIAYZRHMQPQF-XWSJACJDSA-N 1 3 335.536 2.735 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978201 481233991 /nfs/dbraw/zinc/23/39/91/481233991.db2.gz OIJLDOGFJRPQQX-LMMKCTJWSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647977190 481234608 /nfs/dbraw/zinc/23/46/08/481234608.db2.gz YYSCYCWSYXDUHF-QGZVKYPTSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977481 481234634 /nfs/dbraw/zinc/23/46/34/481234634.db2.gz CGXVVOYMUSRFRM-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc2cc(C[N@@H+]3CCC[C@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000667040472 481270297 /nfs/dbraw/zinc/27/02/97/481270297.db2.gz SHTFOQYBLCRNEN-KRWDZBQOSA-N 1 3 339.443 2.937 20 0 EFADHO Cc1cc2cc(C[N@H+]3CCC[C@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000667040472 481270300 /nfs/dbraw/zinc/27/03/00/481270300.db2.gz SHTFOQYBLCRNEN-KRWDZBQOSA-N 1 3 339.443 2.937 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2nccc3ccccc32)CC1 ZINC000667041736 481272538 /nfs/dbraw/zinc/27/25/38/481272538.db2.gz MIHNVTXFBSLDLG-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1cc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705783 481273530 /nfs/dbraw/zinc/27/35/30/481273530.db2.gz VTPWWTHVPMRNLG-YQVWRLOYSA-N 1 3 348.487 2.812 20 0 EFADHO CCn1nc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc21 ZINC000650707470 481275457 /nfs/dbraw/zinc/27/54/57/481275457.db2.gz GURGENAOVOBYFP-FTRWYGJKSA-N 1 3 342.487 2.775 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnc4ccccc4c3)C2)C1 ZINC000650708251 481279828 /nfs/dbraw/zinc/27/98/28/481279828.db2.gz WHPWFOKVFJWHPJ-NLWGTHIKSA-N 1 3 325.456 2.953 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646410236 481279987 /nfs/dbraw/zinc/27/99/87/481279987.db2.gz ZJOSGAORTKKZOL-OALUTQOASA-N 1 3 341.499 2.720 20 0 EFADHO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)o1 ZINC000648038862 481283154 /nfs/dbraw/zinc/28/31/54/481283154.db2.gz NCBBNTUNCDASNE-LJQANCHMSA-N 1 3 328.460 2.906 20 0 EFADHO Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@]3(C2)CCCN(C)C3)o1 ZINC000648038862 481283161 /nfs/dbraw/zinc/28/31/61/481283161.db2.gz NCBBNTUNCDASNE-LJQANCHMSA-N 1 3 328.460 2.906 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)C1 ZINC000650722308 481290037 /nfs/dbraw/zinc/29/00/37/481290037.db2.gz PFASCALHYMIHTJ-HOJAQTOUSA-N 1 3 340.471 2.733 20 0 EFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650721779 481290146 /nfs/dbraw/zinc/29/01/46/481290146.db2.gz BBPDICCWXJGYSP-QXAKKESOSA-N 1 3 331.460 2.506 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnn(-c3ccccc3)c2)C1 ZINC000650722309 481290436 /nfs/dbraw/zinc/29/04/36/481290436.db2.gz PFASCALHYMIHTJ-MISYRCLQSA-N 1 3 340.471 2.733 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(N3CCCC3)nc2)C1 ZINC000650723891 481291389 /nfs/dbraw/zinc/29/13/89/481291389.db2.gz VOLDXUZZCCBDNZ-QRVBRYPASA-N 1 3 344.503 2.543 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000650723705 481292119 /nfs/dbraw/zinc/29/21/19/481292119.db2.gz SDRPVUFNHLVHLL-BHIYHBOVSA-N 1 3 340.471 2.938 20 0 EFADHO Cc1cccc2ncc(CN3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)n21 ZINC000650723796 481292445 /nfs/dbraw/zinc/29/24/45/481292445.db2.gz UEAQEHRVCDYARY-KBAYOESNSA-N 1 3 328.460 2.504 20 0 EFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC2(CCC2)C1 ZINC000659275191 481326682 /nfs/dbraw/zinc/32/66/82/481326682.db2.gz VTGIXJBQVBAKJH-UHFFFAOYSA-N 1 3 341.499 2.950 20 0 EFADHO Cc1c([C@@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000650764380 481326769 /nfs/dbraw/zinc/32/67/69/481326769.db2.gz XDAAFOZHVCQQAB-CYBMUJFWSA-N 1 3 331.439 2.755 20 0 EFADHO c1ccc2c(CCN3CCC(OCC[NH+]4CCCC4)CC3)noc2c1 ZINC000653562216 481328905 /nfs/dbraw/zinc/32/89/05/481328905.db2.gz JUCNEUPFGFCTNE-UHFFFAOYSA-N 1 3 343.471 2.947 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659292948 481341463 /nfs/dbraw/zinc/34/14/63/481341463.db2.gz SNLBKYDWYRMORY-MJGOQNOKSA-N 1 3 327.472 2.698 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000637146592 481344031 /nfs/dbraw/zinc/34/40/31/481344031.db2.gz ULNDORLMNZXUJO-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1nc2ccccc2c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000664598780 481359087 /nfs/dbraw/zinc/35/90/87/481359087.db2.gz JTVOHTHCMCDHIW-QGZVFWFLSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1nc2ccccc2c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1C ZINC000664598780 481359094 /nfs/dbraw/zinc/35/90/94/481359094.db2.gz JTVOHTHCMCDHIW-QGZVFWFLSA-N 1 3 325.456 2.887 20 0 EFADHO NC[C@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659325815 481363119 /nfs/dbraw/zinc/36/31/19/481363119.db2.gz MZENAPWBBHKMNZ-RXVVDRJESA-N 1 3 349.478 2.764 20 0 EFADHO CCN1C[C@H](C)[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653616558 481366152 /nfs/dbraw/zinc/36/61/52/481366152.db2.gz GPVFHBNJJLWLAV-VHSSKADRSA-N 1 3 330.476 2.697 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000669932284 481368968 /nfs/dbraw/zinc/36/89/68/481368968.db2.gz FSULLYDIXOQCEU-HXUWFJFHSA-N 1 3 349.563 2.969 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000661859535 481375262 /nfs/dbraw/zinc/37/52/62/481375262.db2.gz ZYJMLYONAOEBON-PKOBYXMFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000661859535 481375272 /nfs/dbraw/zinc/37/52/72/481375272.db2.gz ZYJMLYONAOEBON-PKOBYXMFSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000646569450 481383814 /nfs/dbraw/zinc/38/38/14/481383814.db2.gz CXOCYODJQYPJOD-DLBZAZTESA-N 1 3 345.487 2.503 20 0 EFADHO O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659364834 481384655 /nfs/dbraw/zinc/38/46/55/481384655.db2.gz RPCPIEWDBJNWBE-MOPGFXCFSA-N 1 3 337.423 2.521 20 0 EFADHO O[C@@]1(CN2CC[C@@H](c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639645290 481394015 /nfs/dbraw/zinc/39/40/15/481394015.db2.gz GOCRMUCFVMJSOI-NHCUHLMSSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@@]1(CN2CC[C@@H](c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639645290 481394018 /nfs/dbraw/zinc/39/40/18/481394018.db2.gz GOCRMUCFVMJSOI-NHCUHLMSSA-N 1 3 337.467 2.508 20 0 EFADHO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)C1 ZINC000667233452 481420685 /nfs/dbraw/zinc/42/06/85/481420685.db2.gz VJAQEFOHRJKRPV-INIZCTEOSA-N 1 3 346.475 2.506 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646664921 481425395 /nfs/dbraw/zinc/42/53/95/481425395.db2.gz BHTCQRHCKAMKRX-AZUAARDMSA-N 1 3 343.515 2.857 20 0 EFADHO C[NH+](C)C1CCC(N[C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000643349805 481426304 /nfs/dbraw/zinc/42/63/04/481426304.db2.gz HDMNMHNONSSRNF-XUJLQICISA-N 1 3 340.464 2.507 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[NH+](C)C ZINC000664709297 481430981 /nfs/dbraw/zinc/43/09/81/481430981.db2.gz AXUMCIQIFHUSEX-VQIMIIECSA-N 1 3 346.519 2.536 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659432182 481430997 /nfs/dbraw/zinc/43/09/97/481430997.db2.gz VZAGZYRMEDUATF-UHFFFAOYSA-N 1 3 344.503 2.530 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000659440321 481435810 /nfs/dbraw/zinc/43/58/10/481435810.db2.gz GFJDGTMJCANXSD-SFHVURJKSA-N 1 3 346.519 2.838 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000646690470 481436697 /nfs/dbraw/zinc/43/66/97/481436697.db2.gz CUMQZYZBTKWEMT-KRWDZBQOSA-N 1 3 335.467 2.542 20 0 EFADHO c1cn([C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000639706083 481442604 /nfs/dbraw/zinc/44/26/04/481442604.db2.gz ZRLJIJUFLNAYCK-LJQANCHMSA-N 1 3 325.460 2.711 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)N(CC)CC)cc1 ZINC000659495119 481471287 /nfs/dbraw/zinc/47/12/87/481471287.db2.gz IVZBSAHSMXXCEX-MAUKXSAKSA-N 1 3 334.508 2.539 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453142 481473919 /nfs/dbraw/zinc/47/39/19/481473919.db2.gz JNDPVSCHRBKQEC-DFEHZGFQSA-N 1 3 337.895 2.508 20 0 EFADHO C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451853 481474668 /nfs/dbraw/zinc/47/46/68/481474668.db2.gz KMTGXIYJHFGPDR-RLLQIKCJSA-N 1 3 331.504 2.570 20 0 EFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000643452042 481474764 /nfs/dbraw/zinc/47/47/64/481474764.db2.gz PZXXBLHLXYDXJG-ZJPYXAASSA-N 1 3 330.472 2.899 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000643463849 481477830 /nfs/dbraw/zinc/47/78/30/481477830.db2.gz XEBFBIJOVKGYOC-MBNYWOFBSA-N 1 3 347.286 2.711 20 0 EFADHO COc1ccc([C@H](N[C@H]2CCN(CC3CC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643462734 481479243 /nfs/dbraw/zinc/47/92/43/481479243.db2.gz JIGRLRJEFNEOSZ-IHPCNDPISA-N 1 3 329.488 2.562 20 0 EFADHO OCC1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCCC1 ZINC000643466278 481480414 /nfs/dbraw/zinc/48/04/14/481480414.db2.gz QKNJMXMLMYDZOI-YLJYHZDGSA-N 1 3 330.472 2.775 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470458 481483804 /nfs/dbraw/zinc/48/38/04/481483804.db2.gz XONCHHFGRJTCRD-WFASDCNBSA-N 1 3 343.393 2.918 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470455 481484454 /nfs/dbraw/zinc/48/44/54/481484454.db2.gz XONCHHFGRJTCRD-DOMZBBRYSA-N 1 3 343.393 2.918 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCN2C2CCCCC2)CC1 ZINC000637369648 481487504 /nfs/dbraw/zinc/48/75/04/481487504.db2.gz AQLNNYPSYQVVPJ-GOSISDBHSA-N 1 3 336.524 2.565 20 0 EFADHO Cn1ncc2ccc(CN[C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc21 ZINC000643490122 481488023 /nfs/dbraw/zinc/48/80/23/481488023.db2.gz KSZINHBHVJNKIU-NQIIRXRSSA-N 1 3 348.450 2.919 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637371221 481489428 /nfs/dbraw/zinc/48/94/28/481489428.db2.gz YNGZNFVQKXGSEO-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000637371221 481489436 /nfs/dbraw/zinc/48/94/36/481489436.db2.gz YNGZNFVQKXGSEO-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000637373736 481490925 /nfs/dbraw/zinc/49/09/25/481490925.db2.gz RFAPFCKTLDVEPR-NXHRZFHOSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000637373736 481490933 /nfs/dbraw/zinc/49/09/33/481490933.db2.gz RFAPFCKTLDVEPR-NXHRZFHOSA-N 1 3 336.524 2.518 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2N[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000643540904 481499637 /nfs/dbraw/zinc/49/96/37/481499637.db2.gz SIMYOGUWVKLGNN-JPMGYLKUSA-N 1 3 326.419 2.811 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000643546817 481500550 /nfs/dbraw/zinc/50/05/50/481500550.db2.gz VJVGVSYZBKUMFV-AEFFLSMTSA-N 1 3 329.488 2.849 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546439 481501381 /nfs/dbraw/zinc/50/13/81/481501381.db2.gz OWIPAXVDAQJDNL-HUUCEWRRSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546439 481501389 /nfs/dbraw/zinc/50/13/89/481501389.db2.gz OWIPAXVDAQJDNL-HUUCEWRRSA-N 1 3 331.460 2.677 20 0 EFADHO CN(C)C[C@H](NC(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)cc1 ZINC000659574969 481501520 /nfs/dbraw/zinc/50/15/20/481501520.db2.gz RVZIPMBELWAQAX-HNNXBMFYSA-N 1 3 338.883 2.513 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546440 481502098 /nfs/dbraw/zinc/50/20/98/481502098.db2.gz OWIPAXVDAQJDNL-LSDHHAIUSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643546440 481502103 /nfs/dbraw/zinc/50/21/03/481502103.db2.gz OWIPAXVDAQJDNL-LSDHHAIUSA-N 1 3 331.460 2.677 20 0 EFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000648399995 481518524 /nfs/dbraw/zinc/51/85/24/481518524.db2.gz UEQZIIUWDYZGOS-AZUAARDMSA-N 1 3 332.488 2.691 20 0 EFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CCO1 ZINC000648426780 481538188 /nfs/dbraw/zinc/53/81/88/481538188.db2.gz XKICMPUNWSQGOK-NHCUHLMSSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000637451777 481539519 /nfs/dbraw/zinc/53/95/19/481539519.db2.gz QZQATIAWJBSHMM-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000648466365 481564961 /nfs/dbraw/zinc/56/49/61/481564961.db2.gz QFWYPSCGABOKJK-ICSRJNTNSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646987424 481588258 /nfs/dbraw/zinc/58/82/58/481588258.db2.gz WWIRZCPNFWBIRF-FXAWDEMLSA-N 1 3 343.515 2.588 20 0 EFADHO O[C@@H]1CCN(C2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)C1 ZINC000662152747 481599745 /nfs/dbraw/zinc/59/97/45/481599745.db2.gz YYXOBVCYCLRKBV-GOSISDBHSA-N 1 3 347.890 2.826 20 0 EFADHO CC[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@H]1[NH3+] ZINC000647012201 481602128 /nfs/dbraw/zinc/60/21/28/481602128.db2.gz PWDQEYXGLLFBHH-CZUORRHYSA-N 1 3 329.444 2.694 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654045583 481606528 /nfs/dbraw/zinc/60/65/28/481606528.db2.gz XXDGDKBPUZBCGA-MOPGFXCFSA-N 1 3 344.503 2.929 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000659867546 481606798 /nfs/dbraw/zinc/60/67/98/481606798.db2.gz LTRHKAGZYKNBRK-SFHVURJKSA-N 1 3 345.487 2.907 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000659867546 481606811 /nfs/dbraw/zinc/60/68/11/481606811.db2.gz LTRHKAGZYKNBRK-SFHVURJKSA-N 1 3 345.487 2.907 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@](C)(CC)c2ccc(F)cc2)CC1 ZINC000639930045 481634043 /nfs/dbraw/zinc/63/40/43/481634043.db2.gz SFEDWKJVEWCMGX-IBGZPJMESA-N 1 3 335.467 2.641 20 0 EFADHO C[C@@H]1CN(CC[N@@H+]2CCCN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000659945684 481659642 /nfs/dbraw/zinc/65/96/42/481659642.db2.gz BXBHVMBPFAYMQS-AQNXPRMDSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CN(CC[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000659945684 481659644 /nfs/dbraw/zinc/65/96/44/481659644.db2.gz BXBHVMBPFAYMQS-AQNXPRMDSA-N 1 3 345.531 2.692 20 0 EFADHO COc1ccc(C[N@H+](C[C@H]2CCC3(CNC3)O2)[C@H](C)C2CC2)cc1 ZINC000662249746 481664659 /nfs/dbraw/zinc/66/46/59/481664659.db2.gz ZHGCLVVHPFFQRA-DNVCBOLYSA-N 1 3 330.472 2.817 20 0 EFADHO COc1ccc(C[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@H](C)C2CC2)cc1 ZINC000662249746 481664668 /nfs/dbraw/zinc/66/46/68/481664668.db2.gz ZHGCLVVHPFFQRA-DNVCBOLYSA-N 1 3 330.472 2.817 20 0 EFADHO Oc1ccc(CCC2CC[NH+](C[C@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249552 481665029 /nfs/dbraw/zinc/66/50/29/481665029.db2.gz WSAPSZBJCPAQNS-LJQANCHMSA-N 1 3 330.472 2.558 20 0 EFADHO Cc1ccc(C)c(OC2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662253652 481670930 /nfs/dbraw/zinc/67/09/30/481670930.db2.gz JHEQWSKNGUHRRV-SFHVURJKSA-N 1 3 330.472 2.668 20 0 EFADHO CCN(CC)C(=O)C1(NCc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000662258898 481672902 /nfs/dbraw/zinc/67/29/02/481672902.db2.gz NUOQSWAEUDZMOR-UHFFFAOYSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CO[C@@H](C)C3)CC2)c1 ZINC000647170026 481679533 /nfs/dbraw/zinc/67/95/33/481679533.db2.gz KWBAQUIMANNHIS-RBUKOAKNSA-N 1 3 331.504 2.664 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1OC ZINC000647172521 481682325 /nfs/dbraw/zinc/68/23/25/481682325.db2.gz YVORNDAQVIKPDN-WBVHZDCISA-N 1 3 336.476 2.683 20 0 EFADHO [NH3+]C[C@H]1CN(CCc2nsc3ccccc32)CC12CCOCC2 ZINC000662274223 481683439 /nfs/dbraw/zinc/68/34/39/481683439.db2.gz SFHURPIPOZNBNA-AWEZNQCLSA-N 1 3 331.485 2.526 20 0 EFADHO Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCN(CC3CC3)CC2)o1 ZINC000647173187 481683441 /nfs/dbraw/zinc/68/34/41/481683441.db2.gz XPKUFTPJQVYDEV-UHFFFAOYSA-N 1 3 328.460 2.953 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCc2nsc3ccccc32)CC1 ZINC000662274095 481684775 /nfs/dbraw/zinc/68/47/75/481684775.db2.gz RBVJWCGQKKDVKN-QAPCUYQASA-N 1 3 331.485 2.667 20 0 EFADHO Fc1ccc2c(c1)onc2C1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279696 481685972 /nfs/dbraw/zinc/68/59/72/481685972.db2.gz XBRJQCQQYVXFJY-HNNXBMFYSA-N 1 3 345.418 2.667 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647178649 481686352 /nfs/dbraw/zinc/68/63/52/481686352.db2.gz BCIZTVUQJMIJPK-UHFFFAOYSA-N 1 3 339.430 2.646 20 0 EFADHO CO[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@](C)(CO)C1 ZINC000640005658 481687674 /nfs/dbraw/zinc/68/76/74/481687674.db2.gz RXBBEZXVHZUFRC-PMACEKPBSA-N 1 3 332.488 2.644 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291026 481693642 /nfs/dbraw/zinc/69/36/42/481693642.db2.gz NHZQFBKVYIDLDM-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291963 481695106 /nfs/dbraw/zinc/69/51/06/481695106.db2.gz ZTGTZWSRLCKHRM-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291499 481695803 /nfs/dbraw/zinc/69/58/03/481695803.db2.gz VCAVRDZUOGXOOQ-YLJYHZDGSA-N 1 3 343.515 2.711 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000662295681 481699478 /nfs/dbraw/zinc/69/94/78/481699478.db2.gz HRROHWMHFHDDAQ-INIZCTEOSA-N 1 3 349.544 2.638 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295086 481700312 /nfs/dbraw/zinc/70/03/12/481700312.db2.gz STQGSEGJEFUVEW-PBHICJAKSA-N 1 3 341.459 2.904 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662298368 481704637 /nfs/dbraw/zinc/70/46/37/481704637.db2.gz VUSWCIDTXRLSFZ-ABSDTBQOSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298731 481704806 /nfs/dbraw/zinc/70/48/06/481704806.db2.gz XJZJGONQMARKHS-FXAWDEMLSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298733 481705494 /nfs/dbraw/zinc/70/54/94/481705494.db2.gz XJZJGONQMARKHS-PXNSSMCTSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298630 481705622 /nfs/dbraw/zinc/70/56/22/481705622.db2.gz WKPBEMZIDJPCAT-PXNSSMCTSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662298735 481706041 /nfs/dbraw/zinc/70/60/41/481706041.db2.gz XJZJGONQMARKHS-XLIONFOSSA-N 1 3 343.515 2.711 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C3CCC4(CC4)CC3)CC2)CC1 ZINC000667642344 481706132 /nfs/dbraw/zinc/70/61/32/481706132.db2.gz XTKAGQQQTHCUPQ-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO O=C1[C@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1 ZINC000662299109 481706143 /nfs/dbraw/zinc/70/61/43/481706143.db2.gz ZQFWGUAVFZBCDC-PKOBYXMFSA-N 1 3 327.472 2.504 20 0 EFADHO Cc1cc(C)cc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000667641861 481706674 /nfs/dbraw/zinc/70/66/74/481706674.db2.gz GERCMBPXORTXJS-UHFFFAOYSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N2CCCC2)cc1 ZINC000648755476 481720471 /nfs/dbraw/zinc/72/04/71/481720471.db2.gz FSLLZWOVJYGLQY-QRQLOZEOSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N2CCCC2)cc1 ZINC000648755476 481720478 /nfs/dbraw/zinc/72/04/78/481720478.db2.gz FSLLZWOVJYGLQY-QRQLOZEOSA-N 1 3 329.488 2.588 20 0 EFADHO OCC1([C@@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2)CCCCC1 ZINC000665206711 481720640 /nfs/dbraw/zinc/72/06/40/481720640.db2.gz PATPVYBHBDRPQG-UXHICEINSA-N 1 3 346.515 2.717 20 0 EFADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cn1 ZINC000662326668 481726830 /nfs/dbraw/zinc/72/68/30/481726830.db2.gz ACHQPDHOOUXRQM-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC000662326668 481726837 /nfs/dbraw/zinc/72/68/37/481726837.db2.gz ACHQPDHOOUXRQM-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1noc(C)c1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327727 481728932 /nfs/dbraw/zinc/72/89/32/481728932.db2.gz LQCKSEMOTGYKDB-UHFFFAOYSA-N 1 3 343.475 2.861 20 0 EFADHO Cc1noc(C)c1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327727 481728942 /nfs/dbraw/zinc/72/89/42/481728942.db2.gz LQCKSEMOTGYKDB-UHFFFAOYSA-N 1 3 343.475 2.861 20 0 EFADHO CCCCOCCN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327669 481729681 /nfs/dbraw/zinc/72/96/81/481729681.db2.gz KPASOSYXPRCQCN-UHFFFAOYSA-N 1 3 334.508 2.873 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665233987 481736027 /nfs/dbraw/zinc/73/60/27/481736027.db2.gz VIHLIBGXHQNNIF-QSJFSLAZSA-N 1 3 337.895 2.508 20 0 EFADHO C[C@@H]1CN(Cc2cc3ccncc3s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000667683329 481737266 /nfs/dbraw/zinc/73/72/66/481737266.db2.gz MNMCANLOFHHBBW-CRAIPNDOSA-N 1 3 344.528 2.754 20 0 EFADHO C[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000665248722 481744987 /nfs/dbraw/zinc/74/49/87/481744987.db2.gz BBKLXBQUFHQOBE-OAHLLOKOSA-N 1 3 328.460 2.921 20 0 EFADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000662356613 481749009 /nfs/dbraw/zinc/74/90/09/481749009.db2.gz PDHSJAGENLCXAF-NRFANRHFSA-N 1 3 349.478 2.956 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667726022 481764592 /nfs/dbraw/zinc/76/45/92/481764592.db2.gz ICDXUEZTGNXIFJ-IBGZPJMESA-N 1 3 338.455 2.884 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667731448 481767190 /nfs/dbraw/zinc/76/71/90/481767190.db2.gz TULAGUQEVXYJRZ-UHFFFAOYSA-N 1 3 344.434 2.880 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000662375360 481767245 /nfs/dbraw/zinc/76/72/45/481767245.db2.gz YDFCFYSQBAYXOZ-PKOBYXMFSA-N 1 3 331.504 2.951 20 0 EFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc(CN)c2)cc1 ZINC000667735362 481773134 /nfs/dbraw/zinc/77/31/34/481773134.db2.gz RECSVLCYLWBQKY-UHFFFAOYSA-N 1 3 326.444 2.571 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cccc4c3CCNC4)C2)CC1 ZINC000667750566 481782549 /nfs/dbraw/zinc/78/25/49/481782549.db2.gz ACMSMFWFNBJBEF-QGZVFWFLSA-N 1 3 342.487 2.528 20 0 EFADHO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662397663 481784623 /nfs/dbraw/zinc/78/46/23/481784623.db2.gz HNCDDLDKSWMKNV-ICSRJNTNSA-N 1 3 337.467 2.510 20 0 EFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662411774 481791425 /nfs/dbraw/zinc/79/14/25/481791425.db2.gz YIXKTMFFOPHXKU-MRXNPFEDSA-N 1 3 343.496 2.947 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662419759 481796866 /nfs/dbraw/zinc/79/68/66/481796866.db2.gz NTEWKMJFIDJXAA-SFHVURJKSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000662419759 481796873 /nfs/dbraw/zinc/79/68/73/481796873.db2.gz NTEWKMJFIDJXAA-SFHVURJKSA-N 1 3 349.478 2.932 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000667781660 481801894 /nfs/dbraw/zinc/80/18/94/481801894.db2.gz PICCVVDYUWEASB-WMZOPIPTSA-N 1 3 332.488 2.717 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000667781660 481801901 /nfs/dbraw/zinc/80/19/01/481801901.db2.gz PICCVVDYUWEASB-WMZOPIPTSA-N 1 3 332.488 2.717 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654347774 481806686 /nfs/dbraw/zinc/80/66/86/481806686.db2.gz KRBAXOHCTSZGGA-GUDVDZBRSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654347774 481806695 /nfs/dbraw/zinc/80/66/95/481806695.db2.gz KRBAXOHCTSZGGA-GUDVDZBRSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654347775 481807094 /nfs/dbraw/zinc/80/70/94/481807094.db2.gz KRBAXOHCTSZGGA-IPMKNSEASA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654347775 481807101 /nfs/dbraw/zinc/80/71/01/481807101.db2.gz KRBAXOHCTSZGGA-IPMKNSEASA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)Nc1cnc2c(c1)CNCC2)CC(C)C ZINC000667792327 481807663 /nfs/dbraw/zinc/80/76/63/481807663.db2.gz VXIHQPBAOKZWKA-QGZVFWFLSA-N 1 3 347.507 2.605 20 0 EFADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662449589 481810603 /nfs/dbraw/zinc/81/06/03/481810603.db2.gz ZDLASELWKJJDCU-DFQSSKMNSA-N 1 3 341.499 2.764 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[C@@H](N4CCCCC4)C3)cc21 ZINC000662451469 481812736 /nfs/dbraw/zinc/81/27/36/481812736.db2.gz BPCCJNAHXIMHPN-RBUKOAKNSA-N 1 3 341.499 2.766 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355760 481813314 /nfs/dbraw/zinc/81/33/14/481813314.db2.gz RCIPUUWKQRAEIV-APWZRJJASA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355760 481813320 /nfs/dbraw/zinc/81/33/20/481813320.db2.gz RCIPUUWKQRAEIV-APWZRJJASA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654355314 481815943 /nfs/dbraw/zinc/81/59/43/481815943.db2.gz MKIPAIAYGXCIOU-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654355314 481815951 /nfs/dbraw/zinc/81/59/51/481815951.db2.gz MKIPAIAYGXCIOU-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648904788 481821192 /nfs/dbraw/zinc/82/11/92/481821192.db2.gz SQZCYWWMJQYZGM-LZQZEXGQSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648904788 481821200 /nfs/dbraw/zinc/82/12/00/481821200.db2.gz SQZCYWWMJQYZGM-LZQZEXGQSA-N 1 3 347.503 2.533 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000654363471 481823962 /nfs/dbraw/zinc/82/39/62/481823962.db2.gz UXYPQVODHQMYMU-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[N@@H+]1CCCC[C@H]1C ZINC000654373383 481829838 /nfs/dbraw/zinc/82/98/38/481829838.db2.gz AWYBJWGQHFGHKU-TVFCKZIOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[N@H+]1CCCC[C@H]1C ZINC000654373383 481829846 /nfs/dbraw/zinc/82/98/46/481829846.db2.gz AWYBJWGQHFGHKU-TVFCKZIOSA-N 1 3 336.524 2.565 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000667819495 481830466 /nfs/dbraw/zinc/83/04/66/481830466.db2.gz UYTWMQUMKVANCY-IBGZPJMESA-N 1 3 338.455 2.884 20 0 EFADHO CN(CCCC[NH+](C)C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000667823722 481834291 /nfs/dbraw/zinc/83/42/91/481834291.db2.gz IBXQYBVOJHBLCB-UHFFFAOYSA-N 1 3 346.397 2.970 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491236 481837470 /nfs/dbraw/zinc/83/74/70/481837470.db2.gz PYKAQIBVWGNTQS-KKSFZXQISA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491236 481837475 /nfs/dbraw/zinc/83/74/75/481837475.db2.gz PYKAQIBVWGNTQS-KKSFZXQISA-N 1 3 349.478 2.930 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000654380304 481837995 /nfs/dbraw/zinc/83/79/95/481837995.db2.gz CNRTZCXKLJRGJB-RBUKOAKNSA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000662505309 481846025 /nfs/dbraw/zinc/84/60/25/481846025.db2.gz SQLOQROSZFSPMC-INIZCTEOSA-N 1 3 337.483 2.727 20 0 EFADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000662505194 481846234 /nfs/dbraw/zinc/84/62/34/481846234.db2.gz PUTLQKZTVQGGEE-OAHLLOKOSA-N 1 3 345.409 2.594 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc3c2CNC3)cc1 ZINC000662511025 481850437 /nfs/dbraw/zinc/85/04/37/481850437.db2.gz HQLHSRNTJRFKPN-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000660241062 481851419 /nfs/dbraw/zinc/85/14/19/481851419.db2.gz BNJGWCLLNIZZFY-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000660244307 481853218 /nfs/dbraw/zinc/85/32/18/481853218.db2.gz PGMKAYRYCJCTLV-RTBURBONSA-N 1 3 339.568 2.930 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000662518697 481854470 /nfs/dbraw/zinc/85/44/70/481854470.db2.gz NWOKBOUSIZUCSK-HNNXBMFYSA-N 1 3 342.468 2.783 20 0 EFADHO CC[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)N1CCc2ccccc2C1 ZINC000662524245 481858988 /nfs/dbraw/zinc/85/89/88/481858988.db2.gz KJAVKWUUJNBSTO-IBGZPJMESA-N 1 3 349.478 2.857 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000654429018 481866493 /nfs/dbraw/zinc/86/64/93/481866493.db2.gz FETHDVDGXKBAFS-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000654429018 481866499 /nfs/dbraw/zinc/86/64/99/481866499.db2.gz FETHDVDGXKBAFS-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCOCc3ccccc3)CC2)CC1 ZINC000660278430 481871441 /nfs/dbraw/zinc/87/14/41/481871441.db2.gz ZJTSUTKAJHZJMJ-UHFFFAOYSA-N 1 3 345.531 2.553 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000662561467 481875454 /nfs/dbraw/zinc/87/54/54/481875454.db2.gz KRRJOVVVMROZSP-HNAYVOBHSA-N 1 3 327.472 2.967 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)(C)C ZINC000654446689 481876529 /nfs/dbraw/zinc/87/65/29/481876529.db2.gz RZEIAGBXLZUETL-ULQDDVLXSA-N 1 3 338.540 2.669 20 0 EFADHO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000649000955 481879746 /nfs/dbraw/zinc/87/97/46/481879746.db2.gz GMIPNOZEFVLCHX-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000649000955 481879749 /nfs/dbraw/zinc/87/97/49/481879749.db2.gz GMIPNOZEFVLCHX-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCN(C)C1 ZINC000649001906 481881902 /nfs/dbraw/zinc/88/19/02/481881902.db2.gz XBZKLUGWSSCCST-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CCN1CCCCC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662583678 481886662 /nfs/dbraw/zinc/88/66/62/481886662.db2.gz GFUKWVZZASWBKS-SFHVURJKSA-N 1 3 329.488 2.623 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)C(C)C ZINC000654469424 481889476 /nfs/dbraw/zinc/88/94/76/481889476.db2.gz ZDADFASBGDDQHC-ROUUACIJSA-N 1 3 338.540 2.811 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000662591562 481889717 /nfs/dbraw/zinc/88/97/17/481889717.db2.gz AMXXSOZABCQUPX-ZYSHUDEJSA-N 1 3 329.488 2.561 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312369 481890302 /nfs/dbraw/zinc/89/03/02/481890302.db2.gz QEMJUYSSCLLFGB-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312369 481890306 /nfs/dbraw/zinc/89/03/06/481890306.db2.gz QEMJUYSSCLLFGB-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662592283 481891426 /nfs/dbraw/zinc/89/14/26/481891426.db2.gz IRCOBDLUHJAGRF-RDJZCZTQSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662592283 481891429 /nfs/dbraw/zinc/89/14/29/481891429.db2.gz IRCOBDLUHJAGRF-RDJZCZTQSA-N 1 3 331.504 2.949 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662595485 481892907 /nfs/dbraw/zinc/89/29/07/481892907.db2.gz BPUOMRUFRYDNAT-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)c2ccn(CCN(C)C)n2)c1 ZINC000654477124 481893313 /nfs/dbraw/zinc/89/33/13/481893313.db2.gz UKVZLNCMVGSGQI-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608942 481898750 /nfs/dbraw/zinc/89/87/50/481898750.db2.gz SYBYATJACOBKMG-INIZCTEOSA-N 1 3 347.503 2.749 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000662623016 481904075 /nfs/dbraw/zinc/90/40/75/481904075.db2.gz WGXQTMTUJCZZES-QGZVFWFLSA-N 1 3 342.487 2.593 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502986 481904362 /nfs/dbraw/zinc/90/43/62/481904362.db2.gz YIJLTHIWZCKUNX-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502986 481904368 /nfs/dbraw/zinc/90/43/68/481904368.db2.gz YIJLTHIWZCKUNX-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662658723 481919979 /nfs/dbraw/zinc/91/99/79/481919979.db2.gz JOXFGSSHDYUUGL-MOPGFXCFSA-N 1 3 345.531 2.786 20 0 EFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC2(CCC2)C1 ZINC000662668090 481924749 /nfs/dbraw/zinc/92/47/49/481924749.db2.gz AMWMTKFLLYTDSB-UHFFFAOYSA-N 1 3 327.472 2.560 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000662679242 481929967 /nfs/dbraw/zinc/92/99/67/481929967.db2.gz NNAHFEWYHLTERR-LJQANCHMSA-N 1 3 329.488 2.573 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662681649 481932171 /nfs/dbraw/zinc/93/21/71/481932171.db2.gz AIRXKJMGPBKVJH-IAGOWNOFSA-N 1 3 343.515 2.820 20 0 EFADHO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000651758654 481935965 /nfs/dbraw/zinc/93/59/65/481935965.db2.gz JCRMUBSYMSLKKR-OALUTQOASA-N 1 3 334.504 2.794 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1Cl ZINC000662691823 481936197 /nfs/dbraw/zinc/93/61/97/481936197.db2.gz AWAPNLBNCMFWRO-HNNXBMFYSA-N 1 3 339.867 2.607 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000662694828 481936537 /nfs/dbraw/zinc/93/65/37/481936537.db2.gz UDLLJTSOOFCTNG-FUHWJXTLSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000662694830 481937617 /nfs/dbraw/zinc/93/76/17/481937617.db2.gz UDLLJTSOOFCTNG-WMZOPIPTSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662696190 481938544 /nfs/dbraw/zinc/93/85/44/481938544.db2.gz VZSAMHOWVOBLDD-UHFFFAOYSA-N 1 3 329.488 2.805 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(N)CC3(CCC3)C2)c1 ZINC000662696190 481938548 /nfs/dbraw/zinc/93/85/48/481938548.db2.gz VZSAMHOWVOBLDD-UHFFFAOYSA-N 1 3 329.488 2.805 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N2CCCC2)cc1 ZINC000662701676 481941380 /nfs/dbraw/zinc/94/13/80/481941380.db2.gz SCAUFXUHWQNPMK-SFHVURJKSA-N 1 3 341.499 2.910 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N2CCCC2)cc1 ZINC000662701684 481941492 /nfs/dbraw/zinc/94/14/92/481941492.db2.gz SJTYAALGNYIWJU-ZWKOTPCHSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662726563 481949767 /nfs/dbraw/zinc/94/97/67/481949767.db2.gz KYCOQTUWSLFPKU-QRQLOZEOSA-N 1 3 343.515 2.886 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000668063345 481958569 /nfs/dbraw/zinc/95/85/69/481958569.db2.gz KLJGJAUDKDRCLF-YQVWRLOYSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000668063345 481958575 /nfs/dbraw/zinc/95/85/75/481958575.db2.gz KLJGJAUDKDRCLF-YQVWRLOYSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000668063345 481958579 /nfs/dbraw/zinc/95/85/79/481958579.db2.gz KLJGJAUDKDRCLF-YQVWRLOYSA-N 1 3 334.508 2.787 20 0 EFADHO CC1(C)CC[NH2+][C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000662787695 481970137 /nfs/dbraw/zinc/97/01/37/481970137.db2.gz BGEGICBYFCVYGM-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788623 481970229 /nfs/dbraw/zinc/97/02/29/481970229.db2.gz PIHFAMYWPAYURN-JFIYKMOQSA-N 1 3 341.499 2.810 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095460 481975090 /nfs/dbraw/zinc/97/50/90/481975090.db2.gz JUTLPSQTFBIDIM-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095460 481975093 /nfs/dbraw/zinc/97/50/93/481975093.db2.gz JUTLPSQTFBIDIM-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@@H]3CCCN4CCCC[C@H]34)cc21 ZINC000662836092 481990304 /nfs/dbraw/zinc/99/03/04/481990304.db2.gz VOXSFLCWOIGQNF-DFQSSKMNSA-N 1 3 341.499 2.812 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000662841167 481992326 /nfs/dbraw/zinc/99/23/26/481992326.db2.gz HWIIAJGFPJEJQA-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662871668 482000653 /nfs/dbraw/zinc/00/06/53/482000653.db2.gz CEHKNLANXMEUNO-GOSISDBHSA-N 1 3 331.504 2.527 20 0 EFADHO NC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000662922419 482012866 /nfs/dbraw/zinc/01/28/66/482012866.db2.gz VCOHHRRTZLKEGV-GOSISDBHSA-N 1 3 341.499 2.676 20 0 EFADHO NC1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000662922419 482012872 /nfs/dbraw/zinc/01/28/72/482012872.db2.gz VCOHHRRTZLKEGV-GOSISDBHSA-N 1 3 341.499 2.676 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)N1CCC(C[NH+]2CCCC2)CC1 ZINC000654725381 482014486 /nfs/dbraw/zinc/01/44/86/482014486.db2.gz HDJMGDZPMZYENG-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC([NH+]2CCCCC2)CC1 ZINC000654725025 482014546 /nfs/dbraw/zinc/01/45/46/482014546.db2.gz BMLDTDQUEBGYHF-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668172066 482016120 /nfs/dbraw/zinc/01/61/20/482016120.db2.gz COHHZHMDHGQTPX-MISYRCLQSA-N 1 3 330.472 2.770 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668172066 482016127 /nfs/dbraw/zinc/01/61/27/482016127.db2.gz COHHZHMDHGQTPX-MISYRCLQSA-N 1 3 330.472 2.770 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000649299326 482018935 /nfs/dbraw/zinc/01/89/35/482018935.db2.gz KPEBPPDDBAWYEN-QGZVFWFLSA-N 1 3 341.455 2.655 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000654729334 482019048 /nfs/dbraw/zinc/01/90/48/482019048.db2.gz RVDXYAWWTYKALQ-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000654729334 482019054 /nfs/dbraw/zinc/01/90/54/482019054.db2.gz RVDXYAWWTYKALQ-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000649299325 482019462 /nfs/dbraw/zinc/01/94/62/482019462.db2.gz KPEBPPDDBAWYEN-KRWDZBQOSA-N 1 3 341.455 2.655 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@@H+](C2CCC2)C1 ZINC000654735437 482025547 /nfs/dbraw/zinc/02/55/47/482025547.db2.gz UOFUZFVHEQVFAK-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC[N@H+](C2CCC2)C1 ZINC000654735437 482025552 /nfs/dbraw/zinc/02/55/52/482025552.db2.gz UOFUZFVHEQVFAK-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663004025 482031578 /nfs/dbraw/zinc/03/15/78/482031578.db2.gz NZJAHOPXWSKRDZ-IEBWSBKVSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663004025 482031585 /nfs/dbraw/zinc/03/15/85/482031585.db2.gz NZJAHOPXWSKRDZ-IEBWSBKVSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000649347343 482035844 /nfs/dbraw/zinc/03/58/44/482035844.db2.gz RCNPUVNPJUYBQC-RHSMWYFYSA-N 1 3 339.439 2.676 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000668223429 482041008 /nfs/dbraw/zinc/04/10/08/482041008.db2.gz FLZAAYZYMALOOH-BPIHKTFHSA-N 1 3 332.488 2.858 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000668223429 482041012 /nfs/dbraw/zinc/04/10/12/482041012.db2.gz FLZAAYZYMALOOH-BPIHKTFHSA-N 1 3 332.488 2.858 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000652032478 482044106 /nfs/dbraw/zinc/04/41/06/482044106.db2.gz XUJWOAFQTWNAKC-SOLBZPMBSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CN(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)s1 ZINC000652032478 482044111 /nfs/dbraw/zinc/04/41/11/482044111.db2.gz XUJWOAFQTWNAKC-SOLBZPMBSA-N 1 3 349.544 2.677 20 0 EFADHO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000649370154 482045816 /nfs/dbraw/zinc/04/58/16/482045816.db2.gz GERATDGANZJDTI-SFHVURJKSA-N 1 3 327.472 2.687 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413034 482066739 /nfs/dbraw/zinc/06/67/39/482066739.db2.gz IUSJQRYTDPYTMD-MOPGFXCFSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413034 482066741 /nfs/dbraw/zinc/06/67/41/482066741.db2.gz IUSJQRYTDPYTMD-MOPGFXCFSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H](n3nc(C)cc3C)C2)cc1 ZINC000649413034 482066744 /nfs/dbraw/zinc/06/67/44/482066744.db2.gz IUSJQRYTDPYTMD-MOPGFXCFSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414662 482067819 /nfs/dbraw/zinc/06/78/19/482067819.db2.gz PNGZXCSJKQIBAD-VQIMIIECSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414662 482067820 /nfs/dbraw/zinc/06/78/20/482067820.db2.gz PNGZXCSJKQIBAD-VQIMIIECSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414662 482067823 /nfs/dbraw/zinc/06/78/23/482067823.db2.gz PNGZXCSJKQIBAD-VQIMIIECSA-N 1 3 328.460 2.617 20 0 EFADHO NC[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000652210800 482127523 /nfs/dbraw/zinc/12/75/23/482127523.db2.gz HTNLXWCCCBNMQL-IBGZPJMESA-N 1 3 340.471 2.529 20 0 EFADHO CC[N@@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000660785601 482144665 /nfs/dbraw/zinc/14/46/65/482144665.db2.gz AEEQJPWIJDKCKG-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO CC[N@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000660785601 482144668 /nfs/dbraw/zinc/14/46/68/482144668.db2.gz AEEQJPWIJDKCKG-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC[N@H+](CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000660785601 482144669 /nfs/dbraw/zinc/14/46/69/482144669.db2.gz AEEQJPWIJDKCKG-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO CCN1CCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000660785601 482144673 /nfs/dbraw/zinc/14/46/73/482144673.db2.gz AEEQJPWIJDKCKG-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C4CC4)CC3)CC2)CC1 ZINC000655105037 482163977 /nfs/dbraw/zinc/16/39/77/482163977.db2.gz RNXLYTCMNBJAFL-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCCN(CC3CC3)C2)CC1 ZINC000663345928 482173683 /nfs/dbraw/zinc/17/36/83/482173683.db2.gz OXQDFPJWOIBNCF-QGZVFWFLSA-N 1 3 345.487 2.596 20 0 EFADHO Fc1ccc2c(c1)OC[C@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000668588266 482179026 /nfs/dbraw/zinc/17/90/26/482179026.db2.gz WXTKBYZKUZCVCU-QGZVFWFLSA-N 1 3 327.403 2.783 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000666139285 482193297 /nfs/dbraw/zinc/19/32/97/482193297.db2.gz JIVZMIYDEGEZHP-INIZCTEOSA-N 1 3 348.491 2.541 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C)cc2OCCN(C)C)C1 ZINC000666139285 482193302 /nfs/dbraw/zinc/19/33/02/482193302.db2.gz JIVZMIYDEGEZHP-INIZCTEOSA-N 1 3 348.491 2.541 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668660953 482202984 /nfs/dbraw/zinc/20/29/84/482202984.db2.gz IRKYYMHAVZHNOM-MSOLQXFVSA-N 1 3 332.492 2.511 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000668660956 482203326 /nfs/dbraw/zinc/20/33/26/482203326.db2.gz IRKYYMHAVZHNOM-ROUUACIJSA-N 1 3 332.492 2.511 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC[C@H]1[NH3+] ZINC000668660971 482203947 /nfs/dbraw/zinc/20/39/47/482203947.db2.gz IWGLCTUHQYHXBL-QRQLOZEOSA-N 1 3 346.519 2.838 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H](O)CN(C)C(C)C)cc1 ZINC000660919493 482219284 /nfs/dbraw/zinc/21/92/84/482219284.db2.gz YNIZELVICUIOAW-MOPGFXCFSA-N 1 3 334.504 2.793 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@@H](O)CN(C)C(C)C)cc1 ZINC000660919493 482219290 /nfs/dbraw/zinc/21/92/90/482219290.db2.gz YNIZELVICUIOAW-MOPGFXCFSA-N 1 3 334.504 2.793 20 0 EFADHO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000649780684 482246585 /nfs/dbraw/zinc/24/65/85/482246585.db2.gz GFGNDTLXNPUNFT-OIISXLGYSA-N 1 3 332.492 2.932 20 0 EFADHO c1cc(CN2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)ccn1 ZINC000663467650 482253474 /nfs/dbraw/zinc/25/34/74/482253474.db2.gz HAMUYTHLUNDVPW-FQEVSTJZSA-N 1 3 342.531 2.758 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467416 482254667 /nfs/dbraw/zinc/25/46/67/482254667.db2.gz FQXKRZOOCUYSPG-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467416 482254675 /nfs/dbraw/zinc/25/46/75/482254675.db2.gz FQXKRZOOCUYSPG-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467416 482254682 /nfs/dbraw/zinc/25/46/82/482254682.db2.gz FQXKRZOOCUYSPG-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO c1ccc(N2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)nc1 ZINC000663467738 482255859 /nfs/dbraw/zinc/25/58/59/482255859.db2.gz HQMPIVDXHIAUAM-GOSISDBHSA-N 1 3 328.504 2.762 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668800028 482270161 /nfs/dbraw/zinc/27/01/61/482270161.db2.gz VYEJEQJKGIHUPS-AZUAARDMSA-N 1 3 343.515 2.666 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668800030 482270236 /nfs/dbraw/zinc/27/02/36/482270236.db2.gz VYEJEQJKGIHUPS-QUCCMNQESA-N 1 3 343.515 2.666 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514447 482273514 /nfs/dbraw/zinc/27/35/14/482273514.db2.gz XZHADINXPBEZCL-HNNXBMFYSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccsc1C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514447 482273519 /nfs/dbraw/zinc/27/35/19/482273519.db2.gz XZHADINXPBEZCL-HNNXBMFYSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)s1 ZINC000663513315 482273694 /nfs/dbraw/zinc/27/36/94/482273694.db2.gz SGAJAIUNNVRNII-OAHLLOKOSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)s1 ZINC000663513315 482273698 /nfs/dbraw/zinc/27/36/98/482273698.db2.gz SGAJAIUNNVRNII-OAHLLOKOSA-N 1 3 345.516 2.569 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655349639 482277193 /nfs/dbraw/zinc/27/71/93/482277193.db2.gz LMSMJAMTVKHVBN-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655349639 482277188 /nfs/dbraw/zinc/27/71/88/482277188.db2.gz LMSMJAMTVKHVBN-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](CCO)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000649870643 482305808 /nfs/dbraw/zinc/30/58/08/482305808.db2.gz GIZZROZWFCHLQU-GASCZTMLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](CCO)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000649870643 482305812 /nfs/dbraw/zinc/30/58/12/482305812.db2.gz GIZZROZWFCHLQU-GASCZTMLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(CN(C)[C@@H](C)CCO)c1 ZINC000649870643 482305815 /nfs/dbraw/zinc/30/58/15/482305815.db2.gz GIZZROZWFCHLQU-GASCZTMLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(CN(C)[C@@H](C)CCO)c1 ZINC000649870643 482305817 /nfs/dbraw/zinc/30/58/17/482305817.db2.gz GIZZROZWFCHLQU-GASCZTMLSA-N 1 3 342.911 2.745 20 0 EFADHO O[C@H](C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)CN1CCCC1 ZINC000649875176 482307626 /nfs/dbraw/zinc/30/76/26/482307626.db2.gz ATKCKPARSFPWDU-PBHICJAKSA-N 1 3 326.843 2.977 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc2c1CCNC2 ZINC000663596263 482315139 /nfs/dbraw/zinc/31/51/39/482315139.db2.gz TZTAIEYTGVTDCA-INIZCTEOSA-N 1 3 342.487 2.576 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc2c1CCNC2 ZINC000663596263 482315143 /nfs/dbraw/zinc/31/51/43/482315143.db2.gz TZTAIEYTGVTDCA-INIZCTEOSA-N 1 3 342.487 2.576 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1ccc2c(c1)CNCC2 ZINC000663595963 482315406 /nfs/dbraw/zinc/31/54/06/482315406.db2.gz NTUTYGDLWIHQTH-MRXNPFEDSA-N 1 3 342.487 2.576 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1ccc2c(c1)CNCC2 ZINC000663595963 482315411 /nfs/dbraw/zinc/31/54/11/482315411.db2.gz NTUTYGDLWIHQTH-MRXNPFEDSA-N 1 3 342.487 2.576 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccsc1 ZINC000663621240 482324480 /nfs/dbraw/zinc/32/44/80/482324480.db2.gz UJDPCVBQQGTEQX-GDBMZVCRSA-N 1 3 340.537 2.770 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000666443375 482334347 /nfs/dbraw/zinc/33/43/47/482334347.db2.gz FKQJEJYGDLLOGT-GOSISDBHSA-N 1 3 346.446 2.632 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(c3nccc4[nH]ccc43)CC2)CC1 ZINC000663732494 482366406 /nfs/dbraw/zinc/36/64/06/482366406.db2.gz TWMYSGPZQZLIIX-UHFFFAOYSA-N 1 3 327.476 2.558 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446590037 500609782 /nfs/dbraw/zinc/60/97/82/500609782.db2.gz NIBCYOLICRCPFM-UHFFFAOYSA-N 1 3 334.508 2.842 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000081256222 517908185 /nfs/dbraw/zinc/90/81/85/517908185.db2.gz OSKMPKLWRCUNKL-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000156685278 519669183 /nfs/dbraw/zinc/66/91/83/519669183.db2.gz GGMZDDYAOUYYTE-XLIONFOSSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066410347 519672745 /nfs/dbraw/zinc/67/27/45/519672745.db2.gz NKEKISCUANSHNN-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000192757834 519681801 /nfs/dbraw/zinc/68/18/01/519681801.db2.gz HQOHZVVXJUSJOM-OALUTQOASA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000192757834 519681804 /nfs/dbraw/zinc/68/18/04/519681804.db2.gz HQOHZVVXJUSJOM-OALUTQOASA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)NC(=O)CC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183128105 519704090 /nfs/dbraw/zinc/70/40/90/519704090.db2.gz KNBSNWBGUFIMLD-AABGKKOBSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128105 519704091 /nfs/dbraw/zinc/70/40/91/519704091.db2.gz KNBSNWBGUFIMLD-AABGKKOBSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128105 519704092 /nfs/dbraw/zinc/70/40/92/519704092.db2.gz KNBSNWBGUFIMLD-AABGKKOBSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165308709 534448509 /nfs/dbraw/zinc/44/85/09/534448509.db2.gz ZGTMXMXIGMNZKQ-ZFMNYDKASA-N 1 3 329.532 2.869 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)N1CCc2ccccc2C1 ZINC000236678371 519794299 /nfs/dbraw/zinc/79/42/99/519794299.db2.gz SXELFAQAWOSGBL-LJQANCHMSA-N 1 3 343.515 2.847 20 0 EFADHO CC(C)[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)N1CCOCC1 ZINC000120025469 519794764 /nfs/dbraw/zinc/79/47/64/519794764.db2.gz VBKWBYFTXASFJT-HXUWFJFHSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN(C2CCCCC2)CC1)N1CCOCC1 ZINC000120025469 519794765 /nfs/dbraw/zinc/79/47/65/519794765.db2.gz VBKWBYFTXASFJT-HXUWFJFHSA-N 1 3 337.552 2.730 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCC2 ZINC000181493471 520365228 /nfs/dbraw/zinc/36/52/28/520365228.db2.gz NKJSFLPIZGDRND-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759785 520540115 /nfs/dbraw/zinc/54/01/15/520540115.db2.gz YBISIZLAGUZFEV-MOPGFXCFSA-N 1 3 337.552 2.682 20 0 EFADHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759785 520540119 /nfs/dbraw/zinc/54/01/19/520540119.db2.gz YBISIZLAGUZFEV-MOPGFXCFSA-N 1 3 337.552 2.682 20 0 EFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@@H]2CCCO[C@@H]21 ZINC000182263952 520670456 /nfs/dbraw/zinc/67/04/56/520670456.db2.gz LEMBOBYGCJNNAV-HAGHYFMRSA-N 1 3 344.499 2.546 20 0 EFADHO CCCN(C(=O)CCC[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000178717172 521417374 /nfs/dbraw/zinc/41/73/74/521417374.db2.gz MXHZDSGDUVGFTF-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CCCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000178926339 521434868 /nfs/dbraw/zinc/43/48/68/521434868.db2.gz ZBMJMYZLZVDTPL-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000119069079 521685686 /nfs/dbraw/zinc/68/56/86/521685686.db2.gz COEQMQLTQVRONY-LJQANCHMSA-N 1 3 334.552 2.897 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)CCCOC)CC1 ZINC000178133429 521688946 /nfs/dbraw/zinc/68/89/46/521688946.db2.gz VJBVOFPFYQAHAV-GOSISDBHSA-N 1 3 333.520 2.729 20 0 EFADHO CC[C@@H](C)CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178621620 521979278 /nfs/dbraw/zinc/97/92/78/521979278.db2.gz RLDBTQGOZRMHOK-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843714 522676496 /nfs/dbraw/zinc/67/64/96/522676496.db2.gz HNJCYFSMBMLVAZ-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843714 522676515 /nfs/dbraw/zinc/67/65/15/522676515.db2.gz HNJCYFSMBMLVAZ-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000177691248 522856521 /nfs/dbraw/zinc/85/65/21/522856521.db2.gz OEZPRWNJVAONMZ-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000177691248 522856526 /nfs/dbraw/zinc/85/65/26/522856526.db2.gz OEZPRWNJVAONMZ-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000150885698 524058588 /nfs/dbraw/zinc/05/85/88/524058588.db2.gz YMHMZJVAGGFVQS-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000150885698 524058591 /nfs/dbraw/zinc/05/85/91/524058591.db2.gz YMHMZJVAGGFVQS-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000245949778 524147055 /nfs/dbraw/zinc/14/70/55/524147055.db2.gz SHJTYWYMIHMADM-KSZLIROESA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000181314591 524296611 /nfs/dbraw/zinc/29/66/11/524296611.db2.gz MQUKZQZOCUGWHE-SJORKVTESA-N 1 3 348.535 2.782 20 0 EFADHO C[C@H](CNC(=O)N[C@H](C)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000181337083 524425740 /nfs/dbraw/zinc/42/57/40/524425740.db2.gz FVNPXLJIJOQROH-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1cccc([C@H](C)C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000120281549 524861164 /nfs/dbraw/zinc/86/11/64/524861164.db2.gz LBDHUEXPWIXPJH-KRWDZBQOSA-N 1 3 343.515 2.773 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000071925385 524882257 /nfs/dbraw/zinc/88/22/57/524882257.db2.gz QKVWCQCCQYJDGN-ROUUACIJSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280656 524896628 /nfs/dbraw/zinc/89/66/28/524896628.db2.gz OFRHCQZMLYHEQN-DYEKYZERSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280656 524896638 /nfs/dbraw/zinc/89/66/38/524896638.db2.gz OFRHCQZMLYHEQN-DYEKYZERSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119486720 524913556 /nfs/dbraw/zinc/91/35/56/524913556.db2.gz QXTJUUJNSJGIME-HNBVOPMISA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119486720 524913581 /nfs/dbraw/zinc/91/35/81/524913581.db2.gz QXTJUUJNSJGIME-HNBVOPMISA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@H](C)O1 ZINC000181616608 524943094 /nfs/dbraw/zinc/94/30/94/524943094.db2.gz HTUGULYSYWNZQA-APAFKAMOSA-N 1 3 336.520 2.813 20 0 EFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000178620018 534841864 /nfs/dbraw/zinc/84/18/64/534841864.db2.gz JOFMTLVOZGQNGL-APWZRJJASA-N 1 3 326.488 2.944 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000262943041 525283849 /nfs/dbraw/zinc/28/38/49/525283849.db2.gz IZJNSVHGMJKNSO-GGPKGHCWSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262943062 525284514 /nfs/dbraw/zinc/28/45/14/525284514.db2.gz IZJNSVHGMJKNSO-NSHGMRRFSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000263262288 525284605 /nfs/dbraw/zinc/28/46/05/525284605.db2.gz RDOYSHNTONNUCC-NSHGMRRFSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CN1Cc1ccccc1 ZINC000263018384 525432154 /nfs/dbraw/zinc/43/21/54/525432154.db2.gz QPHNLDOIWNFINO-HGKSCXNLSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCC1 ZINC000090028736 525436307 /nfs/dbraw/zinc/43/63/07/525436307.db2.gz LMWJMYFTINOSJS-INIZCTEOSA-N 1 3 329.488 2.790 20 0 EFADHO CSCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000237303256 525579659 /nfs/dbraw/zinc/57/96/59/525579659.db2.gz XFVIAEVNIMYQHR-WBVHZDCISA-N 1 3 341.565 2.570 20 0 EFADHO CSCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000237303256 525579670 /nfs/dbraw/zinc/57/96/70/525579670.db2.gz XFVIAEVNIMYQHR-WBVHZDCISA-N 1 3 341.565 2.570 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000116537817 526095780 /nfs/dbraw/zinc/09/57/80/526095780.db2.gz MISVDZGFWBPQPP-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1)N(C)C ZINC000349933693 534912680 /nfs/dbraw/zinc/91/26/80/534912680.db2.gz IQYOSCIWXXPKJS-QFBILLFUSA-N 1 3 347.503 2.932 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)N(C)C ZINC000349933693 534912687 /nfs/dbraw/zinc/91/26/87/534912687.db2.gz IQYOSCIWXXPKJS-QFBILLFUSA-N 1 3 347.503 2.932 20 0 EFADHO CNCc1ccccc1NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000428570183 536470623 /nfs/dbraw/zinc/47/06/23/536470623.db2.gz VKWDBHGJGZXGAS-UHFFFAOYSA-N 1 3 336.439 2.962 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000414097578 536500039 /nfs/dbraw/zinc/50/00/39/536500039.db2.gz PKIDYINBEFFFEP-MRXNPFEDSA-N 1 3 340.471 2.922 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153205 527526029 /nfs/dbraw/zinc/52/60/29/527526029.db2.gz ASZXMJIENTVWAJ-SFHVURJKSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153205 527526031 /nfs/dbraw/zinc/52/60/31/527526031.db2.gz ASZXMJIENTVWAJ-SFHVURJKSA-N 1 3 341.499 2.642 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000174519243 528235602 /nfs/dbraw/zinc/23/56/02/528235602.db2.gz UJAMLUFYUVWEBM-IBGZPJMESA-N 1 3 347.503 2.536 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129324988 528239797 /nfs/dbraw/zinc/23/97/97/528239797.db2.gz SYYIFOAAOHYNMM-MJGOQNOKSA-N 1 3 346.519 2.663 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169209019 528553072 /nfs/dbraw/zinc/55/30/72/528553072.db2.gz CCGJVUKVPHJPLQ-IBGZPJMESA-N 1 3 346.519 2.777 20 0 EFADHO CCN1CCN(CCCC[NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000154503627 529143820 /nfs/dbraw/zinc/14/38/20/529143820.db2.gz QEZGGXRHACGVOE-UHFFFAOYSA-N 1 3 344.547 2.663 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000154310387 529145029 /nfs/dbraw/zinc/14/50/29/529145029.db2.gz QBJSPQFUZJAHLS-LJQANCHMSA-N 1 3 333.545 2.634 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000154263370 529145146 /nfs/dbraw/zinc/14/51/46/529145146.db2.gz GRBKMWLGFSIMTN-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154234837 529145168 /nfs/dbraw/zinc/14/51/68/529145168.db2.gz LIQINYBQEOXLKV-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154313040 529145416 /nfs/dbraw/zinc/14/54/16/529145416.db2.gz BVJLDYXYJUMUID-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO CCC[NH+]1CCN(c2ccccc2CN2CCCO[C@H](CF)C2)CC1 ZINC000414482852 534934260 /nfs/dbraw/zinc/93/42/60/534934260.db2.gz XYPLMOAFEYOUBN-LJQANCHMSA-N 1 3 349.494 2.779 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414660562 534935721 /nfs/dbraw/zinc/93/57/21/534935721.db2.gz OOMKNPDVMQPUMD-RTBURBONSA-N 1 3 344.547 2.778 20 0 EFADHO CC(C)CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CC1 ZINC000414183753 534943782 /nfs/dbraw/zinc/94/37/82/534943782.db2.gz FKMPDMGINOCFFV-IBGZPJMESA-N 1 3 337.552 2.587 20 0 EFADHO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1=O ZINC000421893787 534978444 /nfs/dbraw/zinc/97/84/44/534978444.db2.gz XFVOKEKIFCTWMM-DLBZAZTESA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343924363 535060432 /nfs/dbraw/zinc/06/04/32/535060432.db2.gz NLGRPVZPPKJUQQ-UYAOXDASSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000343924363 535060435 /nfs/dbraw/zinc/06/04/35/535060435.db2.gz NLGRPVZPPKJUQQ-UYAOXDASSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)CN1CCO[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000359525377 535115645 /nfs/dbraw/zinc/11/56/45/535115645.db2.gz RDLMNLQZQNZHEF-FQEVSTJZSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)N1CCC(O)(C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000356194636 535163180 /nfs/dbraw/zinc/16/31/80/535163180.db2.gz YRJPVAKBIDVQPK-UHFFFAOYSA-N 1 3 328.859 2.847 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)cc3cccnc32)CC1 ZINC000344640544 535163483 /nfs/dbraw/zinc/16/34/83/535163483.db2.gz LSBPWQYGAOOBKY-UHFFFAOYSA-N 1 3 331.435 2.699 20 0 EFADHO CC(C)[C@@H](CNC(=O)C[C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236682315 535187800 /nfs/dbraw/zinc/18/78/00/535187800.db2.gz ZZXVKEWRHGLDBU-RBUKOAKNSA-N 1 3 331.504 2.949 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417218074 535192565 /nfs/dbraw/zinc/19/25/65/535192565.db2.gz FNWHKPRFNLFOGZ-DOTOQJQBSA-N 1 3 332.492 2.639 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)c2)CC1 ZINC000343875920 535204776 /nfs/dbraw/zinc/20/47/76/535204776.db2.gz WBSRHWOIOYAKAB-LPHOPBHVSA-N 1 3 344.503 2.544 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347652115 535215894 /nfs/dbraw/zinc/21/58/94/535215894.db2.gz PXUJCEVUCVYEAB-UHFFFAOYSA-N 1 3 335.492 2.756 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347652115 535215896 /nfs/dbraw/zinc/21/58/96/535215896.db2.gz PXUJCEVUCVYEAB-UHFFFAOYSA-N 1 3 335.492 2.756 20 0 EFADHO CCCN(C(=O)N[C@H](C)CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418527963 535225656 /nfs/dbraw/zinc/22/56/56/535225656.db2.gz OPJODJBLAOSUMK-IEBWSBKVSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418667627 535241618 /nfs/dbraw/zinc/24/16/18/535241618.db2.gz HJTZBLMDTUSSPN-ROUUACIJSA-N 1 3 332.492 2.591 20 0 EFADHO CC[C@@H](C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)N(CC)CC ZINC000359888367 535429932 /nfs/dbraw/zinc/42/99/32/535429932.db2.gz DTTMYLKILFJOID-INIZCTEOSA-N 1 3 335.496 2.517 20 0 EFADHO CCN1CCC([NH2+]C[C@@H]2OCCN(CC)[C@@H]2c2ccccc2)CC1 ZINC000344839837 535474235 /nfs/dbraw/zinc/47/42/35/535474235.db2.gz CAOIAAZNAHGECU-VQTJNVASSA-N 1 3 331.504 2.522 20 0 EFADHO CCN1CCO[C@@H](CNC2CC[NH+](CC)CC2)[C@H]1c1ccccc1 ZINC000344839837 535474238 /nfs/dbraw/zinc/47/42/38/535474238.db2.gz CAOIAAZNAHGECU-VQTJNVASSA-N 1 3 331.504 2.522 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2cc(=O)n3c(C)cccc3n2)CC1 ZINC000343553492 535496320 /nfs/dbraw/zinc/49/63/20/535496320.db2.gz FBAGTILBTPDBDK-UHFFFAOYSA-N 1 3 342.487 2.557 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000416809445 535516472 /nfs/dbraw/zinc/51/64/72/535516472.db2.gz IHVPVRGZCNBEPE-IBGZPJMESA-N 1 3 342.487 2.871 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000414783966 535559097 /nfs/dbraw/zinc/55/90/97/535559097.db2.gz IBZUKAOMSBOLNX-HOTGVXAUSA-N 1 3 348.491 2.621 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sccc1OC ZINC000349062805 535594740 /nfs/dbraw/zinc/59/47/40/535594740.db2.gz OGXPVWKEJYRYAH-HNNXBMFYSA-N 1 3 325.522 2.605 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1sccc1OC ZINC000349062805 535594745 /nfs/dbraw/zinc/59/47/45/535594745.db2.gz OGXPVWKEJYRYAH-HNNXBMFYSA-N 1 3 325.522 2.605 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000359540604 535604493 /nfs/dbraw/zinc/60/44/93/535604493.db2.gz COCDDFAMCABTIG-NVXWUHKLSA-N 1 3 335.492 2.945 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343657474 535610478 /nfs/dbraw/zinc/61/04/78/535610478.db2.gz QMCSKZJJTGSMPA-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000342765803 535674827 /nfs/dbraw/zinc/67/48/27/535674827.db2.gz QJOJOFONQMDLTL-KFKAGJAMSA-N 1 3 347.503 2.582 20 0 EFADHO CCN1C[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000343895107 535783512 /nfs/dbraw/zinc/78/35/12/535783512.db2.gz KKVPAFDNBVBNSJ-UWJYYQICSA-N 1 3 345.531 2.837 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000342430331 535919927 /nfs/dbraw/zinc/91/99/27/535919927.db2.gz QMXLONWHSIWZJR-QXAKKESOSA-N 1 3 347.503 2.707 20 0 EFADHO CN(C)C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000360210344 535998988 /nfs/dbraw/zinc/99/89/88/535998988.db2.gz XFSLMWCYUQNEBZ-IBGZPJMESA-N 1 3 343.446 2.920 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000341232252 536006031 /nfs/dbraw/zinc/00/60/31/536006031.db2.gz XBFNZBWHKYHLIC-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262554115 536030608 /nfs/dbraw/zinc/03/06/08/536030608.db2.gz PEDDHXNVZWHCMQ-LPOKXYRGSA-N 1 3 329.488 2.518 20 0 EFADHO CN(CCC1CC[NH2+]CC1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000359212259 536323306 /nfs/dbraw/zinc/32/33/06/536323306.db2.gz GMKKRCPBXAZEGN-UHFFFAOYSA-N 1 3 342.386 2.838 20 0 EFADHO C[N@H+](CCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CC1 ZINC000419306933 536338634 /nfs/dbraw/zinc/33/86/34/536338634.db2.gz ZDLKEAOSRQZAAY-SFHVURJKSA-N 1 3 333.451 2.609 20 0 EFADHO C[N@@H+](CCCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1)C1CC1 ZINC000419306933 536338637 /nfs/dbraw/zinc/33/86/37/536338637.db2.gz ZDLKEAOSRQZAAY-SFHVURJKSA-N 1 3 333.451 2.609 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262638794 536345494 /nfs/dbraw/zinc/34/54/94/536345494.db2.gz JJFUEXVQIMHAGA-GJZGRUSLSA-N 1 3 330.476 2.649 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000262638802 536345575 /nfs/dbraw/zinc/34/55/75/536345575.db2.gz JJFUEXVQIMHAGA-LSDHHAIUSA-N 1 3 330.476 2.649 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411999031 536370844 /nfs/dbraw/zinc/37/08/44/536370844.db2.gz AUKHMLFXPHXCPL-UHFFFAOYSA-N 1 3 329.488 2.840 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434356922 536405803 /nfs/dbraw/zinc/40/58/03/536405803.db2.gz ZVAZSQIXMLKLOS-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434356922 536405804 /nfs/dbraw/zinc/40/58/04/536405804.db2.gz ZVAZSQIXMLKLOS-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418352210 536446071 /nfs/dbraw/zinc/44/60/71/536446071.db2.gz MKBOTWHUAUVNLK-LJQANCHMSA-N 1 3 346.519 2.841 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425348677 536479812 /nfs/dbraw/zinc/47/98/12/536479812.db2.gz CGANHASXOMUMAT-QGZVFWFLSA-N 1 3 327.476 2.752 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425348677 536479814 /nfs/dbraw/zinc/47/98/14/536479814.db2.gz CGANHASXOMUMAT-QGZVFWFLSA-N 1 3 327.476 2.752 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425348677 536479816 /nfs/dbraw/zinc/47/98/16/536479816.db2.gz CGANHASXOMUMAT-QGZVFWFLSA-N 1 3 327.476 2.752 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425348677 536479819 /nfs/dbraw/zinc/47/98/19/536479819.db2.gz CGANHASXOMUMAT-QGZVFWFLSA-N 1 3 327.476 2.752 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000421842133 536709870 /nfs/dbraw/zinc/70/98/70/536709870.db2.gz MQZLSZGZCFNMGI-VQIMIIECSA-N 1 3 332.488 2.691 20 0 EFADHO COC1([C@@H](C)NCc2ccncc2OCCC[NH+](C)C)CCCC1 ZINC000421848949 536710012 /nfs/dbraw/zinc/71/00/12/536710012.db2.gz BDEXSEBUYDFWDK-MRXNPFEDSA-N 1 3 335.492 2.849 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1OC ZINC000414773495 536757244 /nfs/dbraw/zinc/75/72/44/536757244.db2.gz DLLWZIJLHMOKEP-CVEARBPZSA-N 1 3 334.460 2.534 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275376413 538125617 /nfs/dbraw/zinc/12/56/17/538125617.db2.gz AAAZQDZFVBPVEQ-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261545541 545619304 /nfs/dbraw/zinc/61/93/04/545619304.db2.gz BUHWNTZNYUYHRZ-VDGAXYAQSA-N 1 3 337.467 2.713 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccnn1-c1ccccc1 ZINC000281438846 545661662 /nfs/dbraw/zinc/66/16/62/545661662.db2.gz CQIYQGSUZAMSER-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc[nH]1 ZINC000286166016 545684203 /nfs/dbraw/zinc/68/42/03/545684203.db2.gz PNGKSEOKNTWHFV-MRXNPFEDSA-N 1 3 328.460 2.778 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cscc1Br ZINC000286354241 545686341 /nfs/dbraw/zinc/68/63/41/545686341.db2.gz FQPSOQVKNIRUOH-CYBMUJFWSA-N 1 3 347.322 2.837 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cscc1Br ZINC000286354241 545686349 /nfs/dbraw/zinc/68/63/49/545686349.db2.gz FQPSOQVKNIRUOH-CYBMUJFWSA-N 1 3 347.322 2.837 20 0 EFADHO NC1(C[NH2+]C2CCN(c3nccs3)CC2)C2CC3CC(C2)CC1C3 ZINC000333765923 545891056 /nfs/dbraw/zinc/89/10/56/545891056.db2.gz BGULVARAONPCBH-UHFFFAOYSA-N 1 3 346.544 2.855 20 0 EFADHO [NH3+]C1(CNC2CCN(c3nccs3)CC2)C2CC3CC(C2)CC1C3 ZINC000333765923 545891065 /nfs/dbraw/zinc/89/10/65/545891065.db2.gz BGULVARAONPCBH-UHFFFAOYSA-N 1 3 346.544 2.855 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CCO1 ZINC000339073633 545922398 /nfs/dbraw/zinc/92/23/98/545922398.db2.gz CBSHWVMNVUPCEV-QMMLZNLJSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CCO1 ZINC000339073633 545922400 /nfs/dbraw/zinc/92/24/00/545922400.db2.gz CBSHWVMNVUPCEV-QMMLZNLJSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000339240749 545925170 /nfs/dbraw/zinc/92/51/70/545925170.db2.gz QUWOJMUYAUUHOA-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000339240749 545925174 /nfs/dbraw/zinc/92/51/74/545925174.db2.gz QUWOJMUYAUUHOA-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000339270389 545927095 /nfs/dbraw/zinc/92/70/95/545927095.db2.gz LHOQJMNWUNSAIY-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000339270389 545927099 /nfs/dbraw/zinc/92/70/99/545927099.db2.gz LHOQJMNWUNSAIY-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339347347 545928322 /nfs/dbraw/zinc/92/83/22/545928322.db2.gz AZRPYNHNFQNNMJ-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339347347 545928328 /nfs/dbraw/zinc/92/83/28/545928328.db2.gz AZRPYNHNFQNNMJ-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO CCC1(CO)CCN([C@@H](C)CC[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000344029530 545962020 /nfs/dbraw/zinc/96/20/20/545962020.db2.gz KVMWHQBIOVQFAN-SFHVURJKSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)CCN2CC[C@@](CO)(CCC)C2)C1 ZINC000344150965 545962943 /nfs/dbraw/zinc/96/29/43/545962943.db2.gz GMFIIFBHRWOXRK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)CCN2CC[C@@](CO)(CCC)C2)C1 ZINC000344150965 545962945 /nfs/dbraw/zinc/96/29/45/545962945.db2.gz GMFIIFBHRWOXRK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CCN([C@@H](C)CC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150965 545962947 /nfs/dbraw/zinc/96/29/47/545962947.db2.gz GMFIIFBHRWOXRK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CCN([C@@H](C)CC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150965 545962949 /nfs/dbraw/zinc/96/29/49/545962949.db2.gz GMFIIFBHRWOXRK-SLFFLAALSA-N 1 3 340.552 2.734 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000348381608 545985020 /nfs/dbraw/zinc/98/50/20/545985020.db2.gz RFRRTOPZUQDINM-VQTJNVASSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000348381604 545985192 /nfs/dbraw/zinc/98/51/92/545985192.db2.gz RFRRTOPZUQDINM-UXHICEINSA-N 1 3 341.499 2.790 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000352089741 546046923 /nfs/dbraw/zinc/04/69/23/546046923.db2.gz PUGYRXDEMZHEIG-LZLYRXPVSA-N 1 3 334.508 2.707 20 0 EFADHO C[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ncc[nH]1 ZINC000353400625 546058840 /nfs/dbraw/zinc/05/88/40/546058840.db2.gz GKPCTJNGTZWDBY-QGZVFWFLSA-N 1 3 327.476 2.663 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000357289340 546102468 /nfs/dbraw/zinc/10/24/68/546102468.db2.gz AUPRJAXDNSJNND-APWZRJJASA-N 1 3 347.503 2.679 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000357289340 546102472 /nfs/dbraw/zinc/10/24/72/546102472.db2.gz AUPRJAXDNSJNND-APWZRJJASA-N 1 3 347.503 2.679 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389909713 546160757 /nfs/dbraw/zinc/16/07/57/546160757.db2.gz INUAZOPKWLBSMH-WDSOQIARSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000392406239 546167028 /nfs/dbraw/zinc/16/70/28/546167028.db2.gz OEEPPFLJMDTPOQ-UHFFFAOYSA-N 1 3 329.488 2.525 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000392406239 546167034 /nfs/dbraw/zinc/16/70/34/546167034.db2.gz OEEPPFLJMDTPOQ-UHFFFAOYSA-N 1 3 329.488 2.525 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc2c1CCNC2 ZINC000392506511 546167816 /nfs/dbraw/zinc/16/78/16/546167816.db2.gz MQXAEPUQIBMNME-UHFFFAOYSA-N 1 3 331.504 2.772 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414931952 546194240 /nfs/dbraw/zinc/19/42/40/546194240.db2.gz VCWLKPOLXDRXHT-IACUBPJLSA-N 1 3 339.867 2.925 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414931952 546194247 /nfs/dbraw/zinc/19/42/47/546194247.db2.gz VCWLKPOLXDRXHT-IACUBPJLSA-N 1 3 339.867 2.925 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000417353936 546208724 /nfs/dbraw/zinc/20/87/24/546208724.db2.gz KOVVEMVWPACRRT-QYZOEREBSA-N 1 3 344.503 2.701 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000417629975 546209782 /nfs/dbraw/zinc/20/97/82/546209782.db2.gz QOFJVPVLZTXKAP-XIRDDKMYSA-N 1 3 332.492 2.685 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439165290 546236022 /nfs/dbraw/zinc/23/60/22/546236022.db2.gz HMTUROLZKZMCIX-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Br)cn1 ZINC000515466399 546298272 /nfs/dbraw/zinc/29/82/72/546298272.db2.gz WARINDGLIJTIFT-OCCSQVGLSA-N 1 3 344.297 2.852 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCN(c2ccnc3ccccc32)CC1 ZINC000653031248 546435702 /nfs/dbraw/zinc/43/57/02/546435702.db2.gz NVPGBKMBTUBHBD-UHFFFAOYSA-N 1 3 340.471 2.615 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccccc1 ZINC000655447463 546450905 /nfs/dbraw/zinc/45/09/05/546450905.db2.gz XKBKRMVARZJBEX-VPWXQRGCSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655680402 546531068 /nfs/dbraw/zinc/53/10/68/546531068.db2.gz MFZJZWHJVQARBD-UXHICEINSA-N 1 3 349.494 2.661 20 0 EFADHO CCC(CC)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCC1 ZINC000655686425 546532747 /nfs/dbraw/zinc/53/27/47/546532747.db2.gz GRFHDHUBBXITOA-WOJBJXKFSA-N 1 3 337.552 2.730 20 0 EFADHO CCC(CC)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N(C)C ZINC000655687211 546532965 /nfs/dbraw/zinc/53/29/65/546532965.db2.gz MONHWPWQLKBNLO-RBUKOAKNSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCC(C)CC1 ZINC000655688816 546533594 /nfs/dbraw/zinc/53/35/94/546533594.db2.gz JUBGUKMIFCMOBF-VQTJNVASSA-N 1 3 337.552 2.586 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CC(C)C ZINC000655687586 546534050 /nfs/dbraw/zinc/53/40/50/546534050.db2.gz QYRGUNSDBNOTJR-UXHICEINSA-N 1 3 339.568 2.976 20 0 EFADHO CN(C)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655691444 546535082 /nfs/dbraw/zinc/53/50/82/546535082.db2.gz BAMKXAYJUZYWOD-UXHICEINSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCc1ccccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655695567 546537511 /nfs/dbraw/zinc/53/75/11/546537511.db2.gz NBDGBLWTQQPAGA-HXUWFJFHSA-N 1 3 332.488 2.956 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655693604 546537952 /nfs/dbraw/zinc/53/79/52/546537952.db2.gz FUEAVKJJMIERCD-MSOLQXFVSA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655693610 546537975 /nfs/dbraw/zinc/53/79/75/546537975.db2.gz FUEAVKJJMIERCD-ZWKOTPCHSA-N 1 3 337.533 2.584 20 0 EFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000655698701 546538715 /nfs/dbraw/zinc/53/87/15/546538715.db2.gz UNKDVWRQLPIUOO-MJGOQNOKSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1CCC[C@](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)(N(C)C)C1 ZINC000655697815 546538740 /nfs/dbraw/zinc/53/87/40/546538740.db2.gz WJWWZPNGPFPRDP-RLLQIKCJSA-N 1 3 337.552 2.730 20 0 EFADHO c1ccc2c(c1)CCO[C@H]2CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655731039 546555490 /nfs/dbraw/zinc/55/54/90/546555490.db2.gz UQQZQVJUIUNPNO-QUCCMNQESA-N 1 3 330.472 2.533 20 0 EFADHO Cc1ccc(NC2CCN([C@H]3CCOC3)CC2)c(OCC[NH+](C)C)c1 ZINC000655752197 546567527 /nfs/dbraw/zinc/56/75/27/546567527.db2.gz NMGTYWVMMDXIKZ-SFHVURJKSA-N 1 3 347.503 2.601 20 0 EFADHO CCO[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655761669 546570902 /nfs/dbraw/zinc/57/09/02/546570902.db2.gz NHGIIDOKUUABLQ-PMACEKPBSA-N 1 3 332.488 2.997 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000655908032 546632303 /nfs/dbraw/zinc/63/23/03/546632303.db2.gz QYHXXEIGHCZYQT-ZWKOTPCHSA-N 1 3 330.476 2.935 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCc2noc3ccccc32)CC1 ZINC000655940458 546650332 /nfs/dbraw/zinc/65/03/32/546650332.db2.gz SOJRKJKKHXVQKK-APWZRJJASA-N 1 3 329.444 2.589 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655963737 546652655 /nfs/dbraw/zinc/65/26/55/546652655.db2.gz RMELUWSHMVDSNL-QGTPRVQTSA-N 1 3 330.476 2.522 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000655968260 546655142 /nfs/dbraw/zinc/65/51/42/546655142.db2.gz RNHHKRIDOBINIY-SFHVURJKSA-N 1 3 346.519 2.982 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000655968168 546655236 /nfs/dbraw/zinc/65/52/36/546655236.db2.gz OMCFLTRAOYRSCU-FHWLQOOXSA-N 1 3 344.503 2.783 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000655973110 546655627 /nfs/dbraw/zinc/65/56/27/546655627.db2.gz CBHJLHAOCFYGSF-NCXUSEDFSA-N 1 3 348.535 2.567 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655974849 546656835 /nfs/dbraw/zinc/65/68/35/546656835.db2.gz RGRSYSJIYJIIDN-ROUUACIJSA-N 1 3 336.524 2.554 20 0 EFADHO CC(C)(C)[C@H](N)c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656467874 546810392 /nfs/dbraw/zinc/81/03/92/546810392.db2.gz GKWXAWDTMYBCLK-SJLPKXTDSA-N 1 3 327.476 2.846 20 0 EFADHO CC(C)(C)[C@H](N)c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656467874 546810396 /nfs/dbraw/zinc/81/03/96/546810396.db2.gz GKWXAWDTMYBCLK-SJLPKXTDSA-N 1 3 327.476 2.846 20 0 EFADHO O=C1[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1C1CCCCC1 ZINC000656508014 546824549 /nfs/dbraw/zinc/82/45/49/546824549.db2.gz KIMUVKVCGFIGKL-LJQANCHMSA-N 1 3 342.487 2.574 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000656698215 546892261 /nfs/dbraw/zinc/89/22/61/546892261.db2.gz ZFNAIKPOZKZXER-LJQANCHMSA-N 1 3 344.503 2.642 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000656698215 546892264 /nfs/dbraw/zinc/89/22/64/546892264.db2.gz ZFNAIKPOZKZXER-LJQANCHMSA-N 1 3 344.503 2.642 20 0 EFADHO O=C(NC1CC1)c1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656785135 546923421 /nfs/dbraw/zinc/92/34/21/546923421.db2.gz JJEZZGYJFSWDQT-LJQANCHMSA-N 1 3 341.499 2.790 20 0 EFADHO COc1ccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(OC)c1OC ZINC000656785956 546924214 /nfs/dbraw/zinc/92/42/14/546924214.db2.gz OGASCFBGBLSHJK-INIZCTEOSA-N 1 3 348.487 2.924 20 0 EFADHO Cn1c2ccc(CN3CCC([C@@H]4CCC[NH2+]C4)CC3)cc2sc1=O ZINC000656787496 546924574 /nfs/dbraw/zinc/92/45/74/546924574.db2.gz ZKDNCHCWEMPNQN-MRXNPFEDSA-N 1 3 345.512 2.812 20 0 EFADHO Brc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000656790717 546925366 /nfs/dbraw/zinc/92/53/66/546925366.db2.gz LKNVESORQFVSJD-UHFFFAOYSA-N 1 3 338.293 2.571 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000657209166 547066554 /nfs/dbraw/zinc/06/65/54/547066554.db2.gz WXGNLCUMLAHDEL-QUCCMNQESA-N 1 3 330.472 2.772 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000657316925 547107894 /nfs/dbraw/zinc/10/78/94/547107894.db2.gz MMWPTXXCOYHZBM-MAUKXSAKSA-N 1 3 334.508 2.740 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000657316925 547107898 /nfs/dbraw/zinc/10/78/98/547107898.db2.gz MMWPTXXCOYHZBM-MAUKXSAKSA-N 1 3 334.508 2.740 20 0 EFADHO c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000657334318 547116536 /nfs/dbraw/zinc/11/65/36/547116536.db2.gz VUMHBXGWRQMSOD-HXUWFJFHSA-N 1 3 330.472 2.961 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3cc4ccncc4s3)C2)CC1 ZINC000657359524 547128929 /nfs/dbraw/zinc/12/89/29/547128929.db2.gz MZSIOFRFGLDFGR-HNNXBMFYSA-N 1 3 330.501 2.554 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(F)c2OC(F)F)CC1 ZINC000657397098 547144294 /nfs/dbraw/zinc/14/42/94/547144294.db2.gz NVTSSYQSAPNEQX-UHFFFAOYSA-N 1 3 346.393 2.752 20 0 EFADHO Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C(F)F)n1 ZINC000657612898 547228667 /nfs/dbraw/zinc/22/86/67/547228667.db2.gz DPHYCOJJHIFYGT-UHFFFAOYSA-N 1 3 349.429 2.755 20 0 EFADHO CC(C)n1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613319 547229779 /nfs/dbraw/zinc/22/97/79/547229779.db2.gz YFSXQPPFAVSZRH-UHFFFAOYSA-N 1 3 327.476 2.861 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835076 547297503 /nfs/dbraw/zinc/29/75/03/547297503.db2.gz KIGZACQZACHTRP-CQSZACIVSA-N 1 3 326.435 2.697 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000657837967 547298298 /nfs/dbraw/zinc/29/82/98/547298298.db2.gz LFFCQNHDNYQNRT-KRWDZBQOSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000657838536 547298552 /nfs/dbraw/zinc/29/85/52/547298552.db2.gz VKZAJXCXMXLMPN-IAGOWNOFSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000657838536 547298556 /nfs/dbraw/zinc/29/85/56/547298556.db2.gz VKZAJXCXMXLMPN-IAGOWNOFSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657838365 547298604 /nfs/dbraw/zinc/29/86/04/547298604.db2.gz SCXGOVJOQSBSCE-DLBZAZTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657838365 547298612 /nfs/dbraw/zinc/29/86/12/547298612.db2.gz SCXGOVJOQSBSCE-DLBZAZTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000657837204 547298735 /nfs/dbraw/zinc/29/87/35/547298735.db2.gz RKFOKMHREHBRLQ-IRXDYDNUSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000657837204 547298742 /nfs/dbraw/zinc/29/87/42/547298742.db2.gz RKFOKMHREHBRLQ-IRXDYDNUSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@H](Cn1cncn1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000657860596 547304630 /nfs/dbraw/zinc/30/46/30/547304630.db2.gz KUUNEBMJGUJVCG-QGZVFWFLSA-N 1 3 327.476 2.832 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000657867298 547306144 /nfs/dbraw/zinc/30/61/44/547306144.db2.gz LNPJBYFSYJZEHK-SFHVURJKSA-N 1 3 328.460 2.838 20 0 EFADHO C[C@@H](CCn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168731 547378919 /nfs/dbraw/zinc/37/89/19/547378919.db2.gz YAQCBFUTUPLRNW-KRWDZBQOSA-N 1 3 327.476 2.559 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)CN1CCC2(CCC2)CC1)c1ccccc1 ZINC000671729775 547661256 /nfs/dbraw/zinc/66/12/56/547661256.db2.gz ZVFJILYAVFKLPU-SFHVURJKSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747978 547665140 /nfs/dbraw/zinc/66/51/40/547665140.db2.gz CYGALZSPVWJCSL-UONOGXRCSA-N 1 3 345.443 2.685 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000672942878 547832773 /nfs/dbraw/zinc/83/27/73/547832773.db2.gz NXQMZXPLHOXUNC-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO COc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000673627095 547922095 /nfs/dbraw/zinc/92/20/95/547922095.db2.gz IFBGJDHAUYPZGN-MAUKXSAKSA-N 1 3 348.487 2.998 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1 ZINC000674166646 548036570 /nfs/dbraw/zinc/03/65/70/548036570.db2.gz ODFWAMDLCDBBIV-KRWDZBQOSA-N 1 3 326.440 2.893 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000675191207 548225850 /nfs/dbraw/zinc/22/58/50/548225850.db2.gz MABBJKGPYZJIJI-GOSISDBHSA-N 1 3 338.540 2.816 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000675198844 548227906 /nfs/dbraw/zinc/22/79/06/548227906.db2.gz ZDGBNHAWYZUDFV-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000675641857 548323614 /nfs/dbraw/zinc/32/36/14/548323614.db2.gz YPYMCAZYUVRDFK-QGZVFWFLSA-N 1 3 331.504 2.862 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000675641857 548323619 /nfs/dbraw/zinc/32/36/19/548323619.db2.gz YPYMCAZYUVRDFK-QGZVFWFLSA-N 1 3 331.504 2.862 20 0 EFADHO CCCN1CCC([NH2+]Cc2cccc(CN3CCCC3=O)c2)CC1 ZINC000675746656 548344490 /nfs/dbraw/zinc/34/44/90/548344490.db2.gz LCUOJUPOWJHDQG-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO COc1ccc(-n2ccc(CN[C@H](C)C3CC[NH+](C)CC3)n2)cc1 ZINC000675817306 548358882 /nfs/dbraw/zinc/35/88/82/548358882.db2.gz OEWAOSGHJDSDQW-OAHLLOKOSA-N 1 3 328.460 2.701 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000675871394 548366679 /nfs/dbraw/zinc/36/66/79/548366679.db2.gz DUZWSSALSVLIOC-UTKZUKDTSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)COC2 ZINC000675876828 548367981 /nfs/dbraw/zinc/36/79/81/548367981.db2.gz ZXQVDLHIWBXCKE-HNAYVOBHSA-N 1 3 329.488 2.536 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccc(C)cc2N2CCOCC2)CC1 ZINC000675929944 548377457 /nfs/dbraw/zinc/37/74/57/548377457.db2.gz FVZHKAQBGUNTOR-UHFFFAOYSA-N 1 3 331.504 2.796 20 0 EFADHO CC(C)C(NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000676291588 548446527 /nfs/dbraw/zinc/44/65/27/548446527.db2.gz ADLGDGXBOSKXHH-UHFFFAOYSA-N 1 3 338.540 2.525 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000676542937 548496142 /nfs/dbraw/zinc/49/61/42/548496142.db2.gz VQQZYHHEJRWARX-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676542937 548496146 /nfs/dbraw/zinc/49/61/46/548496146.db2.gz VQQZYHHEJRWARX-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1cc(C)cc(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000677904647 548791316 /nfs/dbraw/zinc/79/13/16/548791316.db2.gz YJFMNNDSMBVNIH-CTNGQTDRSA-N 1 3 345.531 2.640 20 0 EFADHO C[NH+](C)CCOc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000678120514 548844438 /nfs/dbraw/zinc/84/44/38/548844438.db2.gz KCHWBNBETPOKLF-UHFFFAOYSA-N 1 3 328.456 2.622 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000678221046 548867872 /nfs/dbraw/zinc/86/78/72/548867872.db2.gz XAUNHCAHJYWZHN-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000678221046 548867876 /nfs/dbraw/zinc/86/78/76/548867876.db2.gz XAUNHCAHJYWZHN-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000678239531 548872493 /nfs/dbraw/zinc/87/24/93/548872493.db2.gz HNNRYOZLRQISCE-IBGZPJMESA-N 1 3 331.504 2.687 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000678239532 548873071 /nfs/dbraw/zinc/87/30/71/548873071.db2.gz HNNRYOZLRQISCE-LJQANCHMSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1n1ccnc1 ZINC000678337659 548902506 /nfs/dbraw/zinc/90/25/06/548902506.db2.gz ZSYHXUFBGKRCOR-YLJYHZDGSA-N 1 3 342.487 2.907 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1CCOc2ccccc21 ZINC000678340400 548903610 /nfs/dbraw/zinc/90/36/10/548903610.db2.gz UOXYTEBENZQVCM-QQTQMKHKSA-N 1 3 330.472 2.736 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000678603380 548959790 /nfs/dbraw/zinc/95/97/90/548959790.db2.gz SXNXLNQMFISMDD-IAGOWNOFSA-N 1 3 342.491 2.681 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2)CC1 ZINC000678772262 548984492 /nfs/dbraw/zinc/98/44/92/548984492.db2.gz WELCZNWFMQKRND-YLJYHZDGSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000679045334 549044838 /nfs/dbraw/zinc/04/48/38/549044838.db2.gz ZFLFENFTLFGVIG-IAOVAPTHSA-N 1 3 344.421 2.841 20 0 EFADHO C[C@@H]1C[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@@H+]1C ZINC000679131819 549062463 /nfs/dbraw/zinc/06/24/63/549062463.db2.gz QFSZMEWGTQVHHY-APWZRJJASA-N 1 3 331.504 2.786 20 0 EFADHO C[C@@H]1C[C@@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@H+]1C ZINC000679131819 549062465 /nfs/dbraw/zinc/06/24/65/549062465.db2.gz QFSZMEWGTQVHHY-APWZRJJASA-N 1 3 331.504 2.786 20 0 EFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)CCCC[NH+](C)C)cc1 ZINC000679412225 549124054 /nfs/dbraw/zinc/12/40/54/549124054.db2.gz MUTLUMRLNFOKLX-LJQANCHMSA-N 1 3 347.503 2.680 20 0 EFADHO CN(CCc1cnccn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679629795 549161305 /nfs/dbraw/zinc/16/13/05/549161305.db2.gz FZEPRZPLGALWDO-UHFFFAOYSA-N 1 3 340.471 2.626 20 0 EFADHO Cc1ccc(CN(CCO)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000680003207 549235717 /nfs/dbraw/zinc/23/57/17/549235717.db2.gz XONOQIYIYZTQLU-UHFFFAOYSA-N 1 3 342.483 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680267658 549284092 /nfs/dbraw/zinc/28/40/92/549284092.db2.gz ATMXUXSUXKDRHD-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680267658 549284095 /nfs/dbraw/zinc/28/40/95/549284095.db2.gz ATMXUXSUXKDRHD-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680267899 549284473 /nfs/dbraw/zinc/28/44/73/549284473.db2.gz DRJOJOGWHHFIOW-VAMGGRTRSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680267899 549284477 /nfs/dbraw/zinc/28/44/77/549284477.db2.gz DRJOJOGWHHFIOW-VAMGGRTRSA-N 1 3 343.515 2.744 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680269982 549285044 /nfs/dbraw/zinc/28/50/44/549285044.db2.gz NHJJMJDZRORYQX-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680269982 549285045 /nfs/dbraw/zinc/28/50/45/549285045.db2.gz NHJJMJDZRORYQX-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)N1CCCCC1 ZINC000680353655 549303508 /nfs/dbraw/zinc/30/35/08/549303508.db2.gz JWZAURZVJYBPSG-HOTGVXAUSA-N 1 3 328.464 2.577 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000681298981 549504354 /nfs/dbraw/zinc/50/43/54/549504354.db2.gz ZCPNTMBROSWVBJ-AEFFLSMTSA-N 1 3 331.504 2.886 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccsc3)CC2)CC1 ZINC000682074163 549692267 /nfs/dbraw/zinc/69/22/67/549692267.db2.gz OFNDJYPIFSCQAR-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CCO)C(C)(C)C1 ZINC000682166342 549708780 /nfs/dbraw/zinc/70/87/80/549708780.db2.gz MXIAAEFAFCFTFQ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCN(CCO)C(C)(C)C1 ZINC000682166342 549708783 /nfs/dbraw/zinc/70/87/83/549708783.db2.gz MXIAAEFAFCFTFQ-UHFFFAOYSA-N 1 3 347.547 2.533 20 0 EFADHO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000682420661 549736612 /nfs/dbraw/zinc/73/66/12/549736612.db2.gz LMFDFBIHBIGICE-FQEVSTJZSA-N 1 3 342.483 2.629 20 0 EFADHO CC(C)[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000683108652 549851114 /nfs/dbraw/zinc/85/11/14/549851114.db2.gz KFEJYTAFRKYUOI-NRFANRHFSA-N 1 3 345.531 2.933 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000683108656 549851364 /nfs/dbraw/zinc/85/13/64/549851364.db2.gz KFEJYTAFRKYUOI-OAQYLSRUSA-N 1 3 345.531 2.933 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000683435905 549899746 /nfs/dbraw/zinc/89/97/46/549899746.db2.gz FEGWJLJNEMFYLJ-LJQANCHMSA-N 1 3 331.504 2.734 20 0 EFADHO c1ncn(-c2ccccc2CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000684410395 550036334 /nfs/dbraw/zinc/03/63/34/550036334.db2.gz VWGJQGCBWRRAOA-IBGZPJMESA-N 1 3 347.466 2.879 20 0 EFADHO c1ncn(-c2ccccc2CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000684410395 550036336 /nfs/dbraw/zinc/03/63/36/550036336.db2.gz VWGJQGCBWRRAOA-IBGZPJMESA-N 1 3 347.466 2.879 20 0 EFADHO C[C@H](N[C@H](CO)c1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684561158 550058647 /nfs/dbraw/zinc/05/86/47/550058647.db2.gz XZAQTWMCTOQVJU-SWLSCSKDSA-N 1 3 346.393 2.939 20 0 EFADHO CC[NH+]1CCC(CNCc2ccnn2-c2ccccc2OC)CC1 ZINC000684662102 550072405 /nfs/dbraw/zinc/07/24/05/550072405.db2.gz CWAXTWKPMZOVNP-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000685449099 550153224 /nfs/dbraw/zinc/15/32/24/550153224.db2.gz VLELQNCNWVXVJM-XLIONFOSSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000685455289 550153658 /nfs/dbraw/zinc/15/36/58/550153658.db2.gz MFHYXQQASMEQHQ-IHWYPQMZSA-N 1 3 331.479 2.798 20 0 EFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000685457964 550154548 /nfs/dbraw/zinc/15/45/48/550154548.db2.gz VBUMFPAVIOUWSW-HLAWJBBLSA-N 1 3 327.516 2.890 20 0 EFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000685457964 550154550 /nfs/dbraw/zinc/15/45/50/550154550.db2.gz VBUMFPAVIOUWSW-HLAWJBBLSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457964 550154551 /nfs/dbraw/zinc/15/45/51/550154551.db2.gz VBUMFPAVIOUWSW-HLAWJBBLSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457964 550154553 /nfs/dbraw/zinc/15/45/53/550154553.db2.gz VBUMFPAVIOUWSW-HLAWJBBLSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@H]1CCOc2ccccc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457228 550154673 /nfs/dbraw/zinc/15/46/73/550154673.db2.gz MIVJZGIXYLOSJA-MJGOQNOKSA-N 1 3 343.515 2.653 20 0 EFADHO CN(C[C@H]1CCOc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457228 550154675 /nfs/dbraw/zinc/15/46/75/550154675.db2.gz MIVJZGIXYLOSJA-MJGOQNOKSA-N 1 3 343.515 2.653 20 0 EFADHO C[N@@H+]1CCCC[C@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405303 575432665 /nfs/dbraw/zinc/43/26/65/575432665.db2.gz ZDQHVJDJBWDFOD-JKSUJKDBSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCCC[C@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405303 575432667 /nfs/dbraw/zinc/43/26/67/575432667.db2.gz ZDQHVJDJBWDFOD-JKSUJKDBSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405302 575432709 /nfs/dbraw/zinc/43/27/09/575432709.db2.gz ZDQHVJDJBWDFOD-HZPDHXFCSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCCC[C@@H]1CCN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405302 575432712 /nfs/dbraw/zinc/43/27/12/575432712.db2.gz ZDQHVJDJBWDFOD-HZPDHXFCSA-N 1 3 325.497 2.754 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(Cn3cnc4cc(F)c(F)cc43)C2)CC1 ZINC000755782015 575633391 /nfs/dbraw/zinc/63/33/91/575633391.db2.gz XATBGVQTMGUHHE-CQSZACIVSA-N 1 3 334.414 2.936 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000758687142 575875606 /nfs/dbraw/zinc/87/56/06/575875606.db2.gz UDRPVKBLIZRTKQ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000758687142 575875607 /nfs/dbraw/zinc/87/56/07/575875607.db2.gz UDRPVKBLIZRTKQ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964642 575963629 /nfs/dbraw/zinc/96/36/29/575963629.db2.gz DFLZMGOKMAMRFH-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964642 575963630 /nfs/dbraw/zinc/96/36/30/575963630.db2.gz DFLZMGOKMAMRFH-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964642 575963631 /nfs/dbraw/zinc/96/36/31/575963631.db2.gz DFLZMGOKMAMRFH-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N(C)C)CCC1 ZINC000763012464 576353576 /nfs/dbraw/zinc/35/35/76/576353576.db2.gz KLPPHYFLXBCHHI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N(C)C)CCC1 ZINC000763012464 576353577 /nfs/dbraw/zinc/35/35/77/576353577.db2.gz KLPPHYFLXBCHHI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673195 576386262 /nfs/dbraw/zinc/38/62/62/576386262.db2.gz FKOGYQULDAAVRL-LJQANCHMSA-N 1 3 342.483 2.926 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673195 576386265 /nfs/dbraw/zinc/38/62/65/576386265.db2.gz FKOGYQULDAAVRL-LJQANCHMSA-N 1 3 342.483 2.926 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763738843 576394371 /nfs/dbraw/zinc/39/43/71/576394371.db2.gz VBQORWDYKKROMB-SFHVURJKSA-N 1 3 343.471 2.716 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763738843 576394375 /nfs/dbraw/zinc/39/43/75/576394375.db2.gz VBQORWDYKKROMB-SFHVURJKSA-N 1 3 343.471 2.716 20 0 EFADHO CC(C)N(CC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000764589443 576476013 /nfs/dbraw/zinc/47/60/13/576476013.db2.gz LUHWJDNESQVAIZ-PZJWPPBQSA-N 1 3 347.547 2.984 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764661796 576486738 /nfs/dbraw/zinc/48/67/38/576486738.db2.gz HCNPYYVGDMNPKX-CTNGQTDRSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H](NCCC[NH+]1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764661796 576486740 /nfs/dbraw/zinc/48/67/40/576486740.db2.gz HCNPYYVGDMNPKX-CTNGQTDRSA-N 1 3 345.531 2.742 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H](C)N1CCCCC1 ZINC000764686566 576488969 /nfs/dbraw/zinc/48/89/69/576488969.db2.gz WTAWVOGWTGDXPD-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764922442 576523605 /nfs/dbraw/zinc/52/36/05/576523605.db2.gz UQWODWSSTLLLCG-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764935388 576526291 /nfs/dbraw/zinc/52/62/91/576526291.db2.gz XBGCUFTYLBZANP-QZTJIDSGSA-N 1 3 341.503 2.549 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765250054 577023202 /nfs/dbraw/zinc/02/32/02/577023202.db2.gz ASNVHXQVKZIQIK-QYZOEREBSA-N 1 3 325.541 2.587 20 0 EFADHO CCN1CCN([C@H](C)CNc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765466128 577044645 /nfs/dbraw/zinc/04/46/45/577044645.db2.gz MMIJQPGFKQSUSB-OAHLLOKOSA-N 1 3 328.460 2.681 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765878221 577084512 /nfs/dbraw/zinc/08/45/12/577084512.db2.gz YTMYLPNOVMSGIN-STQMWFEESA-N 1 3 346.443 2.675 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766476802 577156180 /nfs/dbraw/zinc/15/61/80/577156180.db2.gz DJIJGYSCIISLBL-OYNPSCLESA-N 1 3 345.531 2.738 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766476802 577156181 /nfs/dbraw/zinc/15/61/81/577156181.db2.gz DJIJGYSCIISLBL-OYNPSCLESA-N 1 3 345.531 2.738 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnn(-c2ccccc2)c1 ZINC000766535963 577163436 /nfs/dbraw/zinc/16/34/36/577163436.db2.gz NUFCSGYJGPXWSS-VQIMIIECSA-N 1 3 330.476 2.880 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1 ZINC000769004418 577323700 /nfs/dbraw/zinc/32/37/00/577323700.db2.gz MJICAVNDZGVQIX-UHFFFAOYSA-N 1 3 328.460 2.730 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033391 581389800 /nfs/dbraw/zinc/38/98/00/581389800.db2.gz SLSAHNAGRMYHEI-ZIFCJYIRSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033391 581389801 /nfs/dbraw/zinc/38/98/01/581389801.db2.gz SLSAHNAGRMYHEI-ZIFCJYIRSA-N 1 3 348.535 2.519 20 0 EFADHO C[NH+](C)CCCC1CC[NH+](Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825860038 608379173 /nfs/dbraw/zinc/37/91/73/608379173.db2.gz KWRTUYICWHVGGV-UHFFFAOYSA-N 1 3 346.454 2.560 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000825326858 609141767 /nfs/dbraw/zinc/14/17/67/609141767.db2.gz GKKLOHMHLASENO-CYBMUJFWSA-N 1 3 346.454 2.778 20 0 EFADHO CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000825326858 609141769 /nfs/dbraw/zinc/14/17/69/609141769.db2.gz GKKLOHMHLASENO-CYBMUJFWSA-N 1 3 346.454 2.778 20 0 EFADHO CCCC[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957366 1249738576 /nfs/dbraw/zinc/73/85/76/1249738576.db2.gz JIFDFPMNVSIEMN-SFHVURJKSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957366 1249738583 /nfs/dbraw/zinc/73/85/83/1249738583.db2.gz JIFDFPMNVSIEMN-SFHVURJKSA-N 1 3 327.488 2.533 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001753728572 1249988815 /nfs/dbraw/zinc/98/88/15/1249988815.db2.gz CKHSKZOFTZEAFS-STQMWFEESA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCC=C(Cl)Cl ZINC001753728572 1249988821 /nfs/dbraw/zinc/98/88/21/1249988821.db2.gz CKHSKZOFTZEAFS-STQMWFEESA-N 1 3 336.307 2.616 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000700799272 1250184232 /nfs/dbraw/zinc/18/42/32/1250184232.db2.gz HVDPKLQCSNKNAU-OAGGEKHMSA-N 1 3 339.524 3.000 20 0 EFADHO [NH3+]CCc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000327264872 1247963632 /nfs/dbraw/zinc/96/36/32/1247963632.db2.gz QVIGXELJNUFIDK-FQEVSTJZSA-N 1 3 337.467 2.755 20 0 EFADHO C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070465 1248254272 /nfs/dbraw/zinc/25/42/72/1248254272.db2.gz NXXBASQRMOISKV-YYIAUSFCSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070465 1248254281 /nfs/dbraw/zinc/25/42/81/1248254281.db2.gz NXXBASQRMOISKV-YYIAUSFCSA-N 1 3 337.508 2.991 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548974 1250606208 /nfs/dbraw/zinc/60/62/08/1250606208.db2.gz DSWRJEPAYTTZCV-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548974 1250606222 /nfs/dbraw/zinc/60/62/22/1250606222.db2.gz DSWRJEPAYTTZCV-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548974 1250606237 /nfs/dbraw/zinc/60/62/37/1250606237.db2.gz DSWRJEPAYTTZCV-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548973 1250606685 /nfs/dbraw/zinc/60/66/85/1250606685.db2.gz DSWRJEPAYTTZCV-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548973 1250606697 /nfs/dbraw/zinc/60/66/97/1250606697.db2.gz DSWRJEPAYTTZCV-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548973 1250606713 /nfs/dbraw/zinc/60/67/13/1250606713.db2.gz DSWRJEPAYTTZCV-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704449025 1250860115 /nfs/dbraw/zinc/86/01/15/1250860115.db2.gz DDFYGEXLZLVFOJ-AZUAARDMSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000704449025 1250860132 /nfs/dbraw/zinc/86/01/32/1250860132.db2.gz DDFYGEXLZLVFOJ-AZUAARDMSA-N 1 3 331.504 2.778 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613064 1250867807 /nfs/dbraw/zinc/86/78/07/1250867807.db2.gz FLLKCYGKASEONX-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613064 1250867817 /nfs/dbraw/zinc/86/78/17/1250867817.db2.gz FLLKCYGKASEONX-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO CCCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001755516787 1251119565 /nfs/dbraw/zinc/11/95/65/1251119565.db2.gz OVVOFYRNMSLFQM-QAPCUYQASA-N 1 3 329.504 2.874 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2ccccn2)CC1 ZINC000851748751 1251247883 /nfs/dbraw/zinc/24/78/83/1251247883.db2.gz VUNNOXHGHACQQA-NRFANRHFSA-N 1 3 339.483 2.959 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)c2ccccn2)CC1 ZINC000851748751 1251247905 /nfs/dbraw/zinc/24/79/05/1251247905.db2.gz VUNNOXHGHACQQA-NRFANRHFSA-N 1 3 339.483 2.959 20 0 EFADHO C[C@@H](CCN[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000720724386 1251379742 /nfs/dbraw/zinc/37/97/42/1251379742.db2.gz JZYNVZSYSCGSAI-WMZOPIPTSA-N 1 3 333.476 2.717 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1)N(C)C ZINC000720724386 1251379759 /nfs/dbraw/zinc/37/97/59/1251379759.db2.gz JZYNVZSYSCGSAI-WMZOPIPTSA-N 1 3 333.476 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)CCC1 ZINC001029969981 1251398985 /nfs/dbraw/zinc/39/89/85/1251398985.db2.gz GRZVHNOQJUBHHY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)CCC1 ZINC001029969981 1251398997 /nfs/dbraw/zinc/39/89/97/1251398997.db2.gz GRZVHNOQJUBHHY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001100901620 1251401767 /nfs/dbraw/zinc/40/17/67/1251401767.db2.gz FTCFAUNKJDUDGN-UHFFFAOYSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003969938 1265614426 /nfs/dbraw/zinc/61/44/26/1265614426.db2.gz FPMXBDPWOQETBR-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003969938 1265614436 /nfs/dbraw/zinc/61/44/36/1265614436.db2.gz FPMXBDPWOQETBR-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003971528 1265617772 /nfs/dbraw/zinc/61/77/72/1265617772.db2.gz QQDXKWHDTKAGNG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003971528 1265617783 /nfs/dbraw/zinc/61/77/83/1265617783.db2.gz QQDXKWHDTKAGNG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001484059496 1252124720 /nfs/dbraw/zinc/12/47/20/1252124720.db2.gz SUJXOUCSLZOIBO-UYAOXDASSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339659 1252425294 /nfs/dbraw/zinc/42/52/94/1252425294.db2.gz ZAGSFCZIRZBVJL-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484743434 1252853667 /nfs/dbraw/zinc/85/36/67/1252853667.db2.gz AIXOYUWYKYULRZ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484743434 1252853678 /nfs/dbraw/zinc/85/36/78/1252853678.db2.gz AIXOYUWYKYULRZ-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003983569 1265686251 /nfs/dbraw/zinc/68/62/51/1265686251.db2.gz OQANHMDBZDDXNU-HNNXBMFYSA-N 1 3 345.462 2.563 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC001004051751 1265816413 /nfs/dbraw/zinc/81/64/13/1265816413.db2.gz AMYZCBMWRJPOOT-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)s1 ZINC001410467740 1265850621 /nfs/dbraw/zinc/85/06/21/1265850621.db2.gz ANNUJIGMFCTDQA-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)s1 ZINC001410467740 1265850638 /nfs/dbraw/zinc/85/06/38/1265850638.db2.gz ANNUJIGMFCTDQA-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995799408 1254709835 /nfs/dbraw/zinc/70/98/35/1254709835.db2.gz RVSRNLKBUWTFRR-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCC1 ZINC000995824618 1254745705 /nfs/dbraw/zinc/74/57/05/1254745705.db2.gz RKNCXOAYPTVIAI-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCC1 ZINC000995825356 1254747120 /nfs/dbraw/zinc/74/71/20/1254747120.db2.gz UMZPSNADGYUICO-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995873039 1254804775 /nfs/dbraw/zinc/80/47/75/1254804775.db2.gz PNHGSPYNMGMQCL-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)cs1 ZINC000995892310 1254815338 /nfs/dbraw/zinc/81/53/38/1254815338.db2.gz FZUFGHUFUYZDBH-IAGOWNOFSA-N 1 3 349.544 2.723 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)cc1 ZINC000995897556 1254821044 /nfs/dbraw/zinc/82/10/44/1254821044.db2.gz RTYRXWZXNXUXOH-RBUKOAKNSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CC1 ZINC000995897444 1254822048 /nfs/dbraw/zinc/82/20/48/1254822048.db2.gz REUDJKANCFWEHJ-ROUUACIJSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CCc3cccs3)C(C)(C)C2)CCC1 ZINC000995887974 1254837503 /nfs/dbraw/zinc/83/75/03/1254837503.db2.gz QUKUNOQOWJCJAF-MRXNPFEDSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCc2ccccc2)C(C)(C)C1)N(C)C ZINC000995922533 1254843207 /nfs/dbraw/zinc/84/32/07/1254843207.db2.gz FBPFVNOQVBLRKN-OALUTQOASA-N 1 3 345.531 2.642 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000995945041 1254861890 /nfs/dbraw/zinc/86/18/90/1254861890.db2.gz CNGHZMMDPLKCCH-SJORKVTESA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1)N(C)C ZINC000995932504 1254865862 /nfs/dbraw/zinc/86/58/62/1254865862.db2.gz JOHCACGIYJYUGH-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1)N(C)C ZINC000995950637 1254877638 /nfs/dbraw/zinc/87/76/38/1254877638.db2.gz OZLGJQHABGAGFQ-MSOLQXFVSA-N 1 3 349.494 2.823 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2C)C(C)(C)C1)N(C)C ZINC000995952750 1254878518 /nfs/dbraw/zinc/87/85/18/1254878518.db2.gz RWMJDTUMHZDDRA-MSOLQXFVSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000995954864 1254882410 /nfs/dbraw/zinc/88/24/10/1254882410.db2.gz XZBMOPCHZUXUKK-RTBURBONSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)N(C)C ZINC000996244108 1255123482 /nfs/dbraw/zinc/12/34/82/1255123482.db2.gz FXFVQEWHLVYRKP-QZTJIDSGSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000996250194 1255127342 /nfs/dbraw/zinc/12/73/42/1255127342.db2.gz VPVYCRYJZJLCJA-JKSUJKDBSA-N 1 3 337.533 2.661 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](NCc2ccccc2F)C(C)(C)C1)[NH+](C)C ZINC000996250350 1255128393 /nfs/dbraw/zinc/12/83/93/1255128393.db2.gz VRFXOAMORCKARP-QZTJIDSGSA-N 1 3 349.494 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC000996300106 1255184391 /nfs/dbraw/zinc/18/43/91/1255184391.db2.gz KABRZPIBLDGCST-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000996299996 1255185281 /nfs/dbraw/zinc/18/52/81/1255185281.db2.gz IEYGZJYYXYCFNQ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C(C)(C)C1)N(C)C ZINC000996314655 1255196711 /nfs/dbraw/zinc/19/67/11/1255196711.db2.gz JQCYLDQVTJWTRU-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cc1 ZINC000996353702 1255240017 /nfs/dbraw/zinc/24/00/17/1255240017.db2.gz CKCXOTUFZFGYPP-GOSISDBHSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996356169 1255243109 /nfs/dbraw/zinc/24/31/09/1255243109.db2.gz POXSDLYIEKITBK-WMLDXEAASA-N 1 3 326.444 2.540 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000996356255 1255243330 /nfs/dbraw/zinc/24/33/30/1255243330.db2.gz RDCJZNZEMBAJSE-KRWDZBQOSA-N 1 3 344.503 2.749 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000996356151 1255243732 /nfs/dbraw/zinc/24/37/32/1255243732.db2.gz PITBCXBYTOIILI-KRWDZBQOSA-N 1 3 346.519 2.995 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357364 1255244507 /nfs/dbraw/zinc/24/45/07/1255244507.db2.gz XJMQPZSJKKXUES-CRAIPNDOSA-N 1 3 340.471 2.848 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996379317 1255260651 /nfs/dbraw/zinc/26/06/51/1255260651.db2.gz KOYVGPXKLLYYOS-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCCC1 ZINC000996380768 1255262177 /nfs/dbraw/zinc/26/21/77/1255262177.db2.gz SBHZWMZUUQQLPO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCCC1 ZINC000996380764 1255262330 /nfs/dbraw/zinc/26/23/30/1255262330.db2.gz SBHZWMZUUQQLPO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996505881 1255370107 /nfs/dbraw/zinc/37/01/07/1255370107.db2.gz JWNQWFAUJBNYGL-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616770 1255574647 /nfs/dbraw/zinc/57/46/47/1255574647.db2.gz UFTWGRVWSQEYTA-WBVHZDCISA-N 1 3 349.906 2.618 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616770 1255574653 /nfs/dbraw/zinc/57/46/53/1255574653.db2.gz UFTWGRVWSQEYTA-WBVHZDCISA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)c1 ZINC000996660078 1255681877 /nfs/dbraw/zinc/68/18/77/1255681877.db2.gz HBYBFXINWSLTRU-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664053 1255682147 /nfs/dbraw/zinc/68/21/47/1255682147.db2.gz CZOLDYQOOJHRLP-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1)C1CCC1 ZINC000996667010 1255685205 /nfs/dbraw/zinc/68/52/05/1255685205.db2.gz VLZJPXFPBVFDTA-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1F ZINC000996667748 1255689419 /nfs/dbraw/zinc/68/94/19/1255689419.db2.gz XXKFGSAGVBFNHZ-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)CCC1 ZINC000996667741 1255689713 /nfs/dbraw/zinc/68/97/13/1255689713.db2.gz XQVSROYCLVFRKD-LJQANCHMSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccc(F)cc1 ZINC000996667834 1255690819 /nfs/dbraw/zinc/69/08/19/1255690819.db2.gz ZOKOGWDERKIXLM-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c(C)c1 ZINC000996664974 1255699344 /nfs/dbraw/zinc/69/93/44/1255699344.db2.gz NNRZMWLJLKSBAE-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC000996665971 1255702609 /nfs/dbraw/zinc/70/26/09/1255702609.db2.gz TZMZVJDISSGCJS-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996675306 1255723885 /nfs/dbraw/zinc/72/38/85/1255723885.db2.gz FTXZFQNODDTEAH-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)C1CC1 ZINC000996678256 1255727811 /nfs/dbraw/zinc/72/78/11/1255727811.db2.gz LWLMXKUTZLPTKO-LJQANCHMSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1F ZINC000996679021 1255730731 /nfs/dbraw/zinc/73/07/31/1255730731.db2.gz PMMGOZKGDGGDHZ-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC000996679970 1255733128 /nfs/dbraw/zinc/73/31/28/1255733128.db2.gz RWPWIDCGIVMEJP-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1F ZINC000996681239 1255735629 /nfs/dbraw/zinc/73/56/29/1255735629.db2.gz YIFZYWQPIQOPPS-KUHUBIRLSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000996689065 1255748637 /nfs/dbraw/zinc/74/86/37/1255748637.db2.gz RONULUYDINPKKN-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996690308 1255749995 /nfs/dbraw/zinc/74/99/95/1255749995.db2.gz XKWOZYWAWYFIBW-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC000996692208 1255754266 /nfs/dbraw/zinc/75/42/66/1255754266.db2.gz MBEXIYSHUWZQDE-TVPLGVNVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC000996696926 1255768013 /nfs/dbraw/zinc/76/80/13/1255768013.db2.gz QKSJPKBWVBDTBR-LPHOPBHVSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1F ZINC000996699875 1255771853 /nfs/dbraw/zinc/77/18/53/1255771853.db2.gz ZZLUHYZQXYCHQW-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1)N(C)C ZINC000996710328 1255787212 /nfs/dbraw/zinc/78/72/12/1255787212.db2.gz CCTVJNWYDVMKQK-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC000996711082 1255802880 /nfs/dbraw/zinc/80/28/80/1255802880.db2.gz JGRMSAVUJBBSFJ-DNVCBOLYSA-N 1 3 347.503 2.677 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC000996711865 1255812249 /nfs/dbraw/zinc/81/22/49/1255812249.db2.gz MIPJYYJTDFUQND-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC000996711890 1255814375 /nfs/dbraw/zinc/81/43/75/1255814375.db2.gz MVOSKGKUXQXTCO-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1)N(C)C ZINC000996713259 1255824261 /nfs/dbraw/zinc/82/42/61/1255824261.db2.gz RNNGYCDOUCAAJN-QGZVFWFLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2 ZINC001107547471 1256109474 /nfs/dbraw/zinc/10/94/74/1256109474.db2.gz OVJLHJUPKBUHPB-FLDYHULISA-N 1 3 339.911 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001107547471 1256109480 /nfs/dbraw/zinc/10/94/80/1256109480.db2.gz OVJLHJUPKBUHPB-FLDYHULISA-N 1 3 339.911 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2)N(C)C ZINC001107553088 1256118260 /nfs/dbraw/zinc/11/82/60/1256118260.db2.gz AXCWUZCLMQXQDL-QKNQBKEWSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2)N(C)C ZINC001107553088 1256118265 /nfs/dbraw/zinc/11/82/65/1256118265.db2.gz AXCWUZCLMQXQDL-QKNQBKEWSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2 ZINC001107617903 1256308136 /nfs/dbraw/zinc/30/81/36/1256308136.db2.gz VFNRKXJFEHCMBD-IEBWSBKVSA-N 1 3 341.515 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC001107617903 1256308140 /nfs/dbraw/zinc/30/81/40/1256308140.db2.gz VFNRKXJFEHCMBD-IEBWSBKVSA-N 1 3 341.515 2.829 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107635621 1256333941 /nfs/dbraw/zinc/33/39/41/1256333941.db2.gz UHHANSQQKNPVFJ-IEBWSBKVSA-N 1 3 339.499 2.583 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC000996965099 1256581465 /nfs/dbraw/zinc/58/14/65/1256581465.db2.gz MBEXIYSHUWZQDE-FAFZWHIHSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1C ZINC000996966279 1256582940 /nfs/dbraw/zinc/58/29/40/1256582940.db2.gz RZYFJINYNJFMJX-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000996964314 1256596255 /nfs/dbraw/zinc/59/62/55/1256596255.db2.gz IJLWULHOHPONKP-GDBMZVCRSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000996979324 1256602890 /nfs/dbraw/zinc/60/28/90/1256602890.db2.gz SQCSMQKTHPWKDL-HXUWFJFHSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000996998482 1256652069 /nfs/dbraw/zinc/65/20/69/1256652069.db2.gz KAVNXESQICMREP-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC000996998546 1256652720 /nfs/dbraw/zinc/65/27/20/1256652720.db2.gz KOVYZYADGPYTFF-AWEZNQCLSA-N 1 3 335.517 2.621 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)C1 ZINC000996998935 1256653643 /nfs/dbraw/zinc/65/36/43/1256653643.db2.gz KXLRCRZROAONDZ-FGTMMUONSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccccc1F ZINC000996999055 1256653843 /nfs/dbraw/zinc/65/38/43/1256653843.db2.gz LSRUELZLFIKAFW-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c(C)c1 ZINC000997000558 1256657177 /nfs/dbraw/zinc/65/71/77/1256657177.db2.gz RGNVTOSYBJRTEZ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000997001435 1256657544 /nfs/dbraw/zinc/65/75/44/1256657544.db2.gz UITXPXVEBJKPOP-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC000997001540 1256657871 /nfs/dbraw/zinc/65/78/71/1256657871.db2.gz UZBDMQKEFDIGTC-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCc3cccs3)CC2)C1 ZINC000997001085 1256658223 /nfs/dbraw/zinc/65/82/23/1256658223.db2.gz RXSJXLWJWKRHOO-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCc4ccccc43)CC2)C1 ZINC000996996888 1256663806 /nfs/dbraw/zinc/66/38/06/1256663806.db2.gz AJJYJMAYZOFCQC-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCC4(CC4)CC3)CC2)C1 ZINC000997006546 1256668229 /nfs/dbraw/zinc/66/82/29/1256668229.db2.gz MRUHQFDVIULSLR-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC000997008641 1256674483 /nfs/dbraw/zinc/67/44/83/1256674483.db2.gz AKEFORAXLUMCEQ-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC000997009105 1256680120 /nfs/dbraw/zinc/68/01/20/1256680120.db2.gz YGHHHBVXPUUMBV-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC000997009669 1256681155 /nfs/dbraw/zinc/68/11/55/1256681155.db2.gz MEJBJVKYFHEVNW-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997009892 1256681873 /nfs/dbraw/zinc/68/18/73/1256681873.db2.gz PPUZAQAWVWMCPG-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C)sc2C)CC1)N(C)C ZINC000997016949 1256692263 /nfs/dbraw/zinc/69/22/63/1256692263.db2.gz YXVSOZZFEBGQNM-KRWDZBQOSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997078185 1256795279 /nfs/dbraw/zinc/79/52/79/1256795279.db2.gz FVOUAARXNGHREY-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001032404491 1257116349 /nfs/dbraw/zinc/11/63/49/1257116349.db2.gz JVKBCYRDTUZHRD-ROUUACIJSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032406441 1257126667 /nfs/dbraw/zinc/12/66/67/1257126667.db2.gz ZYBSFDQTAQGVGB-HOJAQTOUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032406441 1257126671 /nfs/dbraw/zinc/12/66/71/1257126671.db2.gz ZYBSFDQTAQGVGB-HOJAQTOUSA-N 1 3 345.531 2.726 20 0 EFADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405963 1257131283 /nfs/dbraw/zinc/13/12/83/1257131283.db2.gz TYHJWKMGGMTUBN-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405963 1257131286 /nfs/dbraw/zinc/13/12/86/1257131286.db2.gz TYHJWKMGGMTUBN-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997334120 1257381228 /nfs/dbraw/zinc/38/12/28/1257381228.db2.gz RSSPBMJTMIRQTL-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000997307409 1257386041 /nfs/dbraw/zinc/38/60/41/1257386041.db2.gz QQVJHHZXGRWFSF-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032445557 1257482555 /nfs/dbraw/zinc/48/25/55/1257482555.db2.gz KJXUPQFTQSJSMR-SLFFLAALSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032445557 1257482557 /nfs/dbraw/zinc/48/25/57/1257482557.db2.gz KJXUPQFTQSJSMR-SLFFLAALSA-N 1 3 345.531 2.869 20 0 EFADHO CC1CC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001485828465 1257542624 /nfs/dbraw/zinc/54/26/24/1257542624.db2.gz VRUQBZPWRNJDBZ-HTWSVDAQSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997432160 1257578475 /nfs/dbraw/zinc/57/84/75/1257578475.db2.gz TVXKQZISIBJZOC-MRXNPFEDSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471846 1257635575 /nfs/dbraw/zinc/63/55/75/1257635575.db2.gz IFOHOHRMMCXCHI-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)N1CCCCC1 ZINC001649046048 1257974813 /nfs/dbraw/zinc/97/48/13/1257974813.db2.gz QWMYRKMLXFGSEP-VQIMIIECSA-N 1 3 329.488 2.976 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](CC[NH3+])c2ccccc21)N1CCCCC1 ZINC001649046032 1257974994 /nfs/dbraw/zinc/97/49/94/1257974994.db2.gz QWMYRKMLXFGSEP-APWZRJJASA-N 1 3 329.488 2.976 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)s1 ZINC000997614641 1258117862 /nfs/dbraw/zinc/11/78/62/1258117862.db2.gz RMBNNXNWGSXZAH-GOSISDBHSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001409940117 1258209353 /nfs/dbraw/zinc/20/93/53/1258209353.db2.gz XMOVJYPNEHRAFO-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032537968 1258269056 /nfs/dbraw/zinc/26/90/56/1258269056.db2.gz JLONBGCOYBZOET-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032538246 1258269877 /nfs/dbraw/zinc/26/98/77/1258269877.db2.gz OMCIBINHPXNGJW-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1F ZINC001168595309 1258372610 /nfs/dbraw/zinc/37/26/10/1258372610.db2.gz IRQMXHCNUISTFM-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]Cc3ccccc3F)CC2)CCC1 ZINC000997824320 1258495350 /nfs/dbraw/zinc/49/53/50/1258495350.db2.gz RHXMAHMKPBIFIE-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CC2CCC(F)(F)CC2)CC1 ZINC001203460560 1258495826 /nfs/dbraw/zinc/49/58/26/1258495826.db2.gz RUGWIDQRVPURCE-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000997824109 1258495875 /nfs/dbraw/zinc/49/58/75/1258495875.db2.gz QISZDPWNLTYTJF-JXFKEZNVSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000997829619 1258503250 /nfs/dbraw/zinc/50/32/50/1258503250.db2.gz BBZXUVVGSYNBIM-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC000997830668 1258504398 /nfs/dbraw/zinc/50/43/98/1258504398.db2.gz LTZKKOIFSSTRJW-GOSISDBHSA-N 1 3 335.536 2.591 20 0 EFADHO CC1CCC(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000997831499 1258505718 /nfs/dbraw/zinc/50/57/18/1258505718.db2.gz UHQOCADHAREGEU-UHYCVJNDSA-N 1 3 349.563 2.981 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001004202010 1266208543 /nfs/dbraw/zinc/20/85/43/1266208543.db2.gz UYULHGDULHGCAK-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004202347 1266209871 /nfs/dbraw/zinc/20/98/71/1266209871.db2.gz ZQGXZWXSXXTBOD-OAHLLOKOSA-N 1 3 335.467 2.691 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032584175 1258792698 /nfs/dbraw/zinc/79/26/98/1258792698.db2.gz PBTHEBZMQXNWFZ-UFYCRDLUSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032584175 1258792708 /nfs/dbraw/zinc/79/27/08/1258792708.db2.gz PBTHEBZMQXNWFZ-UFYCRDLUSA-N 1 3 345.531 2.869 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584230 1258794083 /nfs/dbraw/zinc/79/40/83/1258794083.db2.gz SGDMTGQOJQLUJC-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584230 1258794086 /nfs/dbraw/zinc/79/40/86/1258794086.db2.gz SGDMTGQOJQLUJC-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@@H+]1C ZINC001032587300 1258873096 /nfs/dbraw/zinc/87/30/96/1258873096.db2.gz TXSIYASGRSVSGG-LEAZDLGRSA-N 1 3 345.531 2.892 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@H+]1C ZINC001032587300 1258873104 /nfs/dbraw/zinc/87/31/04/1258873104.db2.gz TXSIYASGRSVSGG-LEAZDLGRSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC000998040231 1259001415 /nfs/dbraw/zinc/00/14/15/1259001415.db2.gz NFDATLMHGLOADG-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998081191 1259079080 /nfs/dbraw/zinc/07/90/80/1259079080.db2.gz GSGSNOLRQOEXRH-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000998083710 1259087770 /nfs/dbraw/zinc/08/77/70/1259087770.db2.gz XMVDBWDLTAVMMT-KRWDZBQOSA-N 1 3 333.520 2.799 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000998176672 1259196161 /nfs/dbraw/zinc/19/61/61/1259196161.db2.gz MLJJSUQGXBXRKD-VCIFKONDSA-N 1 3 339.911 2.538 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998268831 1259349533 /nfs/dbraw/zinc/34/95/33/1259349533.db2.gz JVEFJAHCJGVWTJ-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000998270547 1259350857 /nfs/dbraw/zinc/35/08/57/1259350857.db2.gz UPOGASYNJZHTBA-UHFFFAOYSA-N 1 3 347.478 2.558 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000998284316 1259378395 /nfs/dbraw/zinc/37/83/95/1259378395.db2.gz AQNWRDKEIOFBEX-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000998289092 1259387635 /nfs/dbraw/zinc/38/76/35/1259387635.db2.gz AALDZCJWYRSZIN-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1 ZINC001032626712 1259421589 /nfs/dbraw/zinc/42/15/89/1259421589.db2.gz KPNRBGFVAPHQGK-WDSOQIARSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1 ZINC001032626712 1259421594 /nfs/dbraw/zinc/42/15/94/1259421594.db2.gz KPNRBGFVAPHQGK-WDSOQIARSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032629019 1259435618 /nfs/dbraw/zinc/43/56/18/1259435618.db2.gz RJRUDDZHYNZPBV-BXWFABGCSA-N 1 3 339.499 2.530 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032629019 1259435623 /nfs/dbraw/zinc/43/56/23/1259435623.db2.gz RJRUDDZHYNZPBV-BXWFABGCSA-N 1 3 339.499 2.530 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCCC2)C1 ZINC001032628409 1259436273 /nfs/dbraw/zinc/43/62/73/1259436273.db2.gz ZQQDISALZPSVJG-WDSOQIARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCCC2)C1 ZINC001032628409 1259436278 /nfs/dbraw/zinc/43/62/78/1259436278.db2.gz ZQQDISALZPSVJG-WDSOQIARSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC000998535058 1259650605 /nfs/dbraw/zinc/65/06/05/1259650605.db2.gz JQPFLTZCZNYQRG-OFLPRAFFSA-N 1 3 335.517 2.538 20 0 EFADHO CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000998548944 1259674158 /nfs/dbraw/zinc/67/41/58/1259674158.db2.gz JCBMUEOMMWLMOG-SOAGJPPSSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000998552047 1259674528 /nfs/dbraw/zinc/67/45/28/1259674528.db2.gz SCAMCLGEUDGCCD-DAWZGUTISA-N 1 3 349.906 2.556 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]Cc1ccccc1 ZINC001036556696 1259675622 /nfs/dbraw/zinc/67/56/22/1259675622.db2.gz PQJNGDRLVXOQMS-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000998550702 1259676395 /nfs/dbraw/zinc/67/63/95/1259676395.db2.gz OSLHDBSEJOJQSU-MHJFOBGBSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036579462 1259731716 /nfs/dbraw/zinc/73/17/16/1259731716.db2.gz MJCCQBBXWBGVKD-YJBOKZPZSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001036579461 1259732355 /nfs/dbraw/zinc/73/23/55/1259732355.db2.gz MJCCQBBXWBGVKD-QAPCUYQASA-N 1 3 330.476 2.669 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001036580273 1259733706 /nfs/dbraw/zinc/73/37/06/1259733706.db2.gz ZIFCSESKBGJUAR-QFBILLFUSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C[NH2+]CC1CC1 ZINC001036600371 1259748038 /nfs/dbraw/zinc/74/80/38/1259748038.db2.gz ZDRWCKVKKFIUJT-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)c(Cl)c1 ZINC000998730852 1259880896 /nfs/dbraw/zinc/88/08/96/1259880896.db2.gz LDNZOAXPRLBKFH-FUHWJXTLSA-N 1 3 349.906 2.823 20 0 EFADHO CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711048910 1259935558 /nfs/dbraw/zinc/93/55/58/1259935558.db2.gz LVYPPTFJEQCPMI-GUDVDZBRSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998864716 1260027253 /nfs/dbraw/zinc/02/72/53/1260027253.db2.gz AGFLJCJYKYTNTK-TVPLGVNVSA-N 1 3 347.478 2.779 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998864716 1260027262 /nfs/dbraw/zinc/02/72/62/1260027262.db2.gz AGFLJCJYKYTNTK-TVPLGVNVSA-N 1 3 347.478 2.779 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]2CC1 ZINC000946517509 1260198574 /nfs/dbraw/zinc/19/85/74/1260198574.db2.gz HALJDQFFLRNQFS-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2CC1 ZINC000946517509 1260198580 /nfs/dbraw/zinc/19/85/80/1260198580.db2.gz HALJDQFFLRNQFS-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032664030 1260353829 /nfs/dbraw/zinc/35/38/29/1260353829.db2.gz NZYQIFFOJVSHQE-GBESFXJTSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032664030 1260353836 /nfs/dbraw/zinc/35/38/36/1260353836.db2.gz NZYQIFFOJVSHQE-GBESFXJTSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032664029 1260354579 /nfs/dbraw/zinc/35/45/79/1260354579.db2.gz NZYQIFFOJVSHQE-FHWLQOOXSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032664029 1260354588 /nfs/dbraw/zinc/35/45/88/1260354588.db2.gz NZYQIFFOJVSHQE-FHWLQOOXSA-N 1 3 347.547 2.971 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001112540102 1260405438 /nfs/dbraw/zinc/40/54/38/1260405438.db2.gz FQPJUKVWUGCHSJ-BJLQDIEVSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999354196 1260538674 /nfs/dbraw/zinc/53/86/74/1260538674.db2.gz POUNZAYLOAKCGG-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000999346419 1260550213 /nfs/dbraw/zinc/55/02/13/1260550213.db2.gz FPAPSJRGGRWPBZ-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999347276 1260550832 /nfs/dbraw/zinc/55/08/32/1260550832.db2.gz IKBXWEOXZWEIDH-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCc4ccccc43)C2)CCC1 ZINC000999347255 1260551323 /nfs/dbraw/zinc/55/13/23/1260551323.db2.gz HYKHDMDNQNXVJC-HKUYNNGSSA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC000999348721 1260552372 /nfs/dbraw/zinc/55/23/72/1260552372.db2.gz PCLJQPJSEJWFOK-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC000999352558 1260556111 /nfs/dbraw/zinc/55/61/11/1260556111.db2.gz JQQIMHFYEVSYCM-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999378101 1260560767 /nfs/dbraw/zinc/56/07/67/1260560767.db2.gz OXWFMESHPJHANA-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000999379452 1260562256 /nfs/dbraw/zinc/56/22/56/1260562256.db2.gz YSNAPYYOBNZSET-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000999362404 1260564481 /nfs/dbraw/zinc/56/44/81/1260564481.db2.gz AEEOHTQIEPVBIR-SFHVURJKSA-N 1 3 347.478 2.721 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999365639 1260568004 /nfs/dbraw/zinc/56/80/04/1260568004.db2.gz QKPHHXPOBHYGLY-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999367163 1260569499 /nfs/dbraw/zinc/56/94/99/1260569499.db2.gz DURPTHYTMULFKO-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000999369619 1260571070 /nfs/dbraw/zinc/57/10/70/1260571070.db2.gz JUVCDGIYRPPBCM-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC000999369607 1260571391 /nfs/dbraw/zinc/57/13/91/1260571391.db2.gz JMTUKRDGMOOQOE-ZWKOTPCHSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CC2CCC2)C1 ZINC000999398894 1260578183 /nfs/dbraw/zinc/57/81/83/1260578183.db2.gz BROPAFUXQKPSKU-RJYAGPCLSA-N 1 3 339.499 2.578 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCC2CC2)C1 ZINC000999401463 1260594710 /nfs/dbraw/zinc/59/47/10/1260594710.db2.gz ODTFJFLVAPPHET-RJYAGPCLSA-N 1 3 339.499 2.578 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000999404209 1260597203 /nfs/dbraw/zinc/59/72/03/1260597203.db2.gz UGDWOISROORGFE-RWBZWWBESA-N 1 3 349.906 2.903 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000999406578 1260600104 /nfs/dbraw/zinc/60/01/04/1260600104.db2.gz ODXOIXARSBYKRG-DZIBYMRMSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999405795 1260601181 /nfs/dbraw/zinc/60/11/81/1260601181.db2.gz IVQLROSSIOLTSN-MNNVXMFVSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000999407836 1260602591 /nfs/dbraw/zinc/60/25/91/1260602591.db2.gz HCTZXTHNYVOZQF-RWBZWWBESA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC000999407518 1260602660 /nfs/dbraw/zinc/60/26/60/1260602660.db2.gz WFUFAWFJBIMWRS-ZLPCBKJTSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC000999409612 1260603821 /nfs/dbraw/zinc/60/38/21/1260603821.db2.gz RDYCTFAJHFMRTG-IPJUCJBFSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999409220 1260604448 /nfs/dbraw/zinc/60/44/48/1260604448.db2.gz PPEZAWXCLVATKN-YCMKEVRSSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999426132 1260616688 /nfs/dbraw/zinc/61/66/88/1260616688.db2.gz XAOTXURNOBORAB-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC000999436184 1260625548 /nfs/dbraw/zinc/62/55/48/1260625548.db2.gz UTKXRSTYJCTCSO-HKUYNNGSSA-N 1 3 349.494 2.801 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC000999468580 1260659365 /nfs/dbraw/zinc/65/93/65/1260659365.db2.gz HAWYUTHURVGRDL-UHFFFAOYSA-N 1 3 348.397 2.669 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2cccc3ccccc32)C1 ZINC000999469436 1260660620 /nfs/dbraw/zinc/66/06/20/1260660620.db2.gz OFLSTKKLZQTEPH-UHFFFAOYSA-N 1 3 348.450 2.885 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC000999488924 1260712360 /nfs/dbraw/zinc/71/23/60/1260712360.db2.gz HQAOEKHGBMDMPC-IAGOWNOFSA-N 1 3 337.533 2.786 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999489799 1260712852 /nfs/dbraw/zinc/71/28/52/1260712852.db2.gz NAXQHMLHBAWIFT-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000999492303 1260714675 /nfs/dbraw/zinc/71/46/75/1260714675.db2.gz ZYFXIWHXTDHRTP-UYAOXDASSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC000999598461 1260762168 /nfs/dbraw/zinc/76/21/68/1260762168.db2.gz NOOUHFQLLHHHGN-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033069020 1266358379 /nfs/dbraw/zinc/35/83/79/1266358379.db2.gz GGVJLEVSLDRQBU-UXHICEINSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033069020 1266358389 /nfs/dbraw/zinc/35/83/89/1266358389.db2.gz GGVJLEVSLDRQBU-UXHICEINSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033069018 1266358538 /nfs/dbraw/zinc/35/85/38/1266358538.db2.gz GGVJLEVSLDRQBU-PMACEKPBSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033069018 1266358551 /nfs/dbraw/zinc/35/85/51/1266358551.db2.gz GGVJLEVSLDRQBU-PMACEKPBSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033069022 1266360551 /nfs/dbraw/zinc/36/05/51/1266360551.db2.gz GGVJLEVSLDRQBU-VQTJNVASSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033069022 1266360561 /nfs/dbraw/zinc/36/05/61/1266360561.db2.gz GGVJLEVSLDRQBU-VQTJNVASSA-N 1 3 343.515 2.635 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCc2ccccc2Cl)C1 ZINC000999688510 1260836490 /nfs/dbraw/zinc/83/64/90/1260836490.db2.gz NQOFKUAYVBZCGA-OOHWJJMZSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2ccccc2Cl)C1 ZINC000999688510 1260836499 /nfs/dbraw/zinc/83/64/99/1260836499.db2.gz NQOFKUAYVBZCGA-OOHWJJMZSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1ccccc1 ZINC000999832321 1260944688 /nfs/dbraw/zinc/94/46/88/1260944688.db2.gz DYEFYTHOJXCEJH-CTWPCTMYSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832316 1260945163 /nfs/dbraw/zinc/94/51/63/1260945163.db2.gz DMFZDQJGXLPQSI-WWDZGPRUSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC000999832706 1260945400 /nfs/dbraw/zinc/94/54/00/1260945400.db2.gz GYKLOPQVRPBIIW-IVMQYODDSA-N 1 3 329.488 2.731 20 0 EFADHO CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cc1 ZINC000999834868 1260946674 /nfs/dbraw/zinc/94/66/74/1260946674.db2.gz YXTLJXPCWMBXAL-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC000999873709 1260963248 /nfs/dbraw/zinc/96/32/48/1260963248.db2.gz WPFYCKZOBAZART-QGZVFWFLSA-N 1 3 347.478 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1 ZINC000999876215 1260964648 /nfs/dbraw/zinc/96/46/48/1260964648.db2.gz IGSKZJCGUNDQJY-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000999876848 1260964907 /nfs/dbraw/zinc/96/49/07/1260964907.db2.gz UOZVDNINADAMMW-FAFZWHIHSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033071223 1266378042 /nfs/dbraw/zinc/37/80/42/1266378042.db2.gz XMSHEFSDQSKWNN-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033071223 1266378048 /nfs/dbraw/zinc/37/80/48/1266378048.db2.gz XMSHEFSDQSKWNN-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033071195 1266379277 /nfs/dbraw/zinc/37/92/77/1266379277.db2.gz WVPAHUZKOAFIEH-MOPGFXCFSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033071195 1266379290 /nfs/dbraw/zinc/37/92/90/1266379290.db2.gz WVPAHUZKOAFIEH-MOPGFXCFSA-N 1 3 347.547 2.972 20 0 EFADHO [NH3+]CCCCCCNCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000843127565 1261086153 /nfs/dbraw/zinc/08/61/53/1261086153.db2.gz QFFQBVJSVFGVRY-UHFFFAOYSA-N 1 3 325.819 2.669 20 0 EFADHO CC1=CC[C@@H](CC[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863336 1261190004 /nfs/dbraw/zinc/19/00/04/1261190004.db2.gz XLZXXPVZSRNVPY-RXVVDRJESA-N 1 3 347.547 2.855 20 0 EFADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863336 1261190006 /nfs/dbraw/zinc/19/00/06/1261190006.db2.gz XLZXXPVZSRNVPY-RXVVDRJESA-N 1 3 347.547 2.855 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001410475615 1266413013 /nfs/dbraw/zinc/41/30/13/1266413013.db2.gz QEAJLNBQCUDUGZ-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C[C@@H](O)COc1c(C)ccc(C)c1C)C1CC[NH2+]CC1 ZINC000923328961 1261464348 /nfs/dbraw/zinc/46/43/48/1261464348.db2.gz YUFVCTMHRCWSRR-LJQANCHMSA-N 1 3 334.504 2.816 20 0 EFADHO CCC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)C1CCNCC1 ZINC000923328961 1261464355 /nfs/dbraw/zinc/46/43/55/1261464355.db2.gz YUFVCTMHRCWSRR-LJQANCHMSA-N 1 3 334.504 2.816 20 0 EFADHO CCC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)C1CCNCC1 ZINC000923328961 1261464361 /nfs/dbraw/zinc/46/43/61/1261464361.db2.gz YUFVCTMHRCWSRR-LJQANCHMSA-N 1 3 334.504 2.816 20 0 EFADHO CCCN(C[C@H](O)COc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000923329273 1261465720 /nfs/dbraw/zinc/46/57/20/1261465720.db2.gz ZYVYATYLQQCQFI-INIZCTEOSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCNCC1 ZINC000923329273 1261465726 /nfs/dbraw/zinc/46/57/26/1261465726.db2.gz ZYVYATYLQQCQFI-INIZCTEOSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C1CCNCC1 ZINC000923329273 1261465729 /nfs/dbraw/zinc/46/57/29/1261465729.db2.gz ZYVYATYLQQCQFI-INIZCTEOSA-N 1 3 326.868 2.544 20 0 EFADHO Cc1c(C[C@H](CN)C[NH2+]C2(Cc3ccccc3)CCCC2)cnn1C ZINC000903905574 1261518557 /nfs/dbraw/zinc/51/85/57/1261518557.db2.gz JGQDTSRQQLJINQ-LJQANCHMSA-N 1 3 340.515 2.991 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001168762718 1261588098 /nfs/dbraw/zinc/58/80/98/1261588098.db2.gz HBIZWOQLRILDCB-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946902409 1261663202 /nfs/dbraw/zinc/66/32/02/1261663202.db2.gz OIFMNUZMWRHYSE-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946902409 1261663211 /nfs/dbraw/zinc/66/32/11/1261663211.db2.gz OIFMNUZMWRHYSE-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006083635 1261664323 /nfs/dbraw/zinc/66/43/23/1261664323.db2.gz LGFVZQYEHVKUBS-IBGZPJMESA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113561526 1278093102 /nfs/dbraw/zinc/09/31/02/1278093102.db2.gz GDOZIXVLWRYLKV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946902656 1261689946 /nfs/dbraw/zinc/68/99/46/1261689946.db2.gz UEFJYXIGCOMAIV-CALCHBBNSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946902656 1261689953 /nfs/dbraw/zinc/68/99/53/1261689953.db2.gz UEFJYXIGCOMAIV-CALCHBBNSA-N 1 3 347.478 2.502 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904371 1261724528 /nfs/dbraw/zinc/72/45/28/1261724528.db2.gz DWEUBVHILNXGHO-CEXWTWQISA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904371 1261724535 /nfs/dbraw/zinc/72/45/35/1261724535.db2.gz DWEUBVHILNXGHO-CEXWTWQISA-N 1 3 335.536 2.831 20 0 EFADHO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923487167 1261745025 /nfs/dbraw/zinc/74/50/25/1261745025.db2.gz ADLLAXKZPFWHMO-LBPRGKRZSA-N 1 3 344.286 2.623 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032800574 1261750614 /nfs/dbraw/zinc/75/06/14/1261750614.db2.gz OEXIOELODDPZRV-OALUTQOASA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032800574 1261750624 /nfs/dbraw/zinc/75/06/24/1261750624.db2.gz OEXIOELODDPZRV-OALUTQOASA-N 1 3 341.499 2.837 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001001006535 1261777762 /nfs/dbraw/zinc/77/77/62/1261777762.db2.gz IJVNXPKEBQQYMF-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493071 1261777888 /nfs/dbraw/zinc/77/78/88/1261777888.db2.gz SGXFYPTTWCQTAQ-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO CC[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000923496756 1261785602 /nfs/dbraw/zinc/78/56/02/1261785602.db2.gz CWWQPDZUQYPCKI-KMFMINBZSA-N 1 3 337.895 2.824 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001032804133 1261824762 /nfs/dbraw/zinc/82/47/62/1261824762.db2.gz XZCYUJRSOYDITR-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000947981289 1261930001 /nfs/dbraw/zinc/93/00/01/1261930001.db2.gz UUOZREZXCFLPPC-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000947981289 1261930009 /nfs/dbraw/zinc/93/00/09/1261930009.db2.gz UUOZREZXCFLPPC-WMLDXEAASA-N 1 3 332.492 2.810 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)N1CCCCC1 ZINC001078627325 1262076203 /nfs/dbraw/zinc/07/62/03/1262076203.db2.gz YHGCWZBAUPULSG-IRXDYDNUSA-N 1 3 333.520 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001078796142 1262328957 /nfs/dbraw/zinc/32/89/57/1262328957.db2.gz WWPMBAGMAYYNJN-QZTJIDSGSA-N 1 3 344.503 2.858 20 0 EFADHO CCC[NH2+][C@@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819225 1262362029 /nfs/dbraw/zinc/36/20/29/1262362029.db2.gz KGMIILSXUNLVQV-MSOLQXFVSA-N 1 3 329.488 2.789 20 0 EFADHO CC(C)[NH2+][C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819786 1262363737 /nfs/dbraw/zinc/36/37/37/1262363737.db2.gz RKZHVLABUBBHHM-QZTJIDSGSA-N 1 3 329.488 2.787 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001485881282 1262463570 /nfs/dbraw/zinc/46/35/70/1262463570.db2.gz DZVQCFDTIIEDNV-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090085 1262613351 /nfs/dbraw/zinc/61/33/51/1262613351.db2.gz YZNWONQZDTVBLO-QAPCUYQASA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C)N(C)C ZINC001486409046 1263027465 /nfs/dbraw/zinc/02/74/65/1263027465.db2.gz FPGWURRJYXKKEP-DLBZAZTESA-N 1 3 337.483 2.786 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H](CNCc2ccccc2F)C(C)(C)C)CC1 ZINC001486412709 1263038548 /nfs/dbraw/zinc/03/85/48/1263038548.db2.gz ZAMPSDJWQAPIAP-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C)c(Cl)c1 ZINC001082449749 1263171924 /nfs/dbraw/zinc/17/19/24/1263171924.db2.gz HPSLBFIUDRAVIA-ZTFGCOKTSA-N 1 3 349.906 2.679 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082507531 1263202452 /nfs/dbraw/zinc/20/24/52/1263202452.db2.gz USRYOGPAACXFDE-BHIYHBOVSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC001486476470 1263203288 /nfs/dbraw/zinc/20/32/88/1263203288.db2.gz BFRUTRKRUOGCCL-MHJFOBGBSA-N 1 3 343.515 2.595 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082520127 1263205351 /nfs/dbraw/zinc/20/53/51/1263205351.db2.gz BKSKWSDIOPYLDZ-GZOSKZMVSA-N 1 3 349.906 2.617 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082520127 1263205355 /nfs/dbraw/zinc/20/53/55/1263205355.db2.gz BKSKWSDIOPYLDZ-GZOSKZMVSA-N 1 3 349.906 2.617 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001082559492 1263222080 /nfs/dbraw/zinc/22/20/80/1263222080.db2.gz GYGIJDJTFYZLJM-CDHQVMDDSA-N 1 3 343.515 2.526 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCc1ccccc1F ZINC001082570735 1263225193 /nfs/dbraw/zinc/22/51/93/1263225193.db2.gz WVOOCDAXIXEYAQ-HHXXYDBFSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCc1ccccc1F ZINC001082570735 1263225200 /nfs/dbraw/zinc/22/52/00/1263225200.db2.gz WVOOCDAXIXEYAQ-HHXXYDBFSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575140 1263229080 /nfs/dbraw/zinc/22/90/80/1263229080.db2.gz NINXLUOAKQTRBB-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001082748725 1263298242 /nfs/dbraw/zinc/29/82/42/1263298242.db2.gz YOUDUSVISBKBHF-NXHRZFHOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001082724735 1263302505 /nfs/dbraw/zinc/30/25/05/1263302505.db2.gz FTSXSRURDMDOIR-BHIYHBOVSA-N 1 3 349.563 2.980 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001082740745 1263313865 /nfs/dbraw/zinc/31/38/65/1263313865.db2.gz DXLXULFPXTXPAH-MBOZVWFJSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001082740932 1263314532 /nfs/dbraw/zinc/31/45/32/1263314532.db2.gz KUDQDVRQBVWOOB-FUHIMQAGSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1C ZINC001082742841 1263315409 /nfs/dbraw/zinc/31/54/09/1263315409.db2.gz UFHNHAPKVWNMEE-QKYXUNIQSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c(C)s1 ZINC001082742877 1263316481 /nfs/dbraw/zinc/31/64/81/1263316481.db2.gz VGZDUJBMVIZYSB-HBUWYVDXSA-N 1 3 349.544 2.643 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082783168 1263340070 /nfs/dbraw/zinc/34/00/70/1263340070.db2.gz FQNJWRMUNTWNQD-QRQLOZEOSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C)c1ccccc1Cl ZINC001082922132 1263414504 /nfs/dbraw/zinc/41/45/04/1263414504.db2.gz KOHFMPLZPNRPDL-RVKKMQEKSA-N 1 3 349.906 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCC2)C1 ZINC001082943356 1263425146 /nfs/dbraw/zinc/42/51/46/1263425146.db2.gz FUOZNCDADDOQHY-QRQLOZEOSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001082942037 1263425215 /nfs/dbraw/zinc/42/52/15/1263425215.db2.gz ZYHBKZVWFQLNHN-LZQZEXGQSA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001082943537 1263425247 /nfs/dbraw/zinc/42/52/47/1263425247.db2.gz NDCAIUXMWNGKEX-RLLQIKCJSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082943739 1263425377 /nfs/dbraw/zinc/42/53/77/1263425377.db2.gz ZUILTUSFOQORJM-RLLQIKCJSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084338591 1263834263 /nfs/dbraw/zinc/83/42/63/1263834263.db2.gz XWGXMXJWCUVUKF-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084338591 1263834278 /nfs/dbraw/zinc/83/42/78/1263834278.db2.gz XWGXMXJWCUVUKF-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084388069 1263901019 /nfs/dbraw/zinc/90/10/19/1263901019.db2.gz DMXMKJPHAVYWOH-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084388069 1263901022 /nfs/dbraw/zinc/90/10/22/1263901022.db2.gz DMXMKJPHAVYWOH-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084389012 1263904512 /nfs/dbraw/zinc/90/45/12/1263904512.db2.gz OKEOQWSFHGHMLW-HSALFYBXSA-N 1 3 345.531 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084389012 1263904518 /nfs/dbraw/zinc/90/45/18/1263904518.db2.gz OKEOQWSFHGHMLW-HSALFYBXSA-N 1 3 345.531 2.894 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084388682 1263904711 /nfs/dbraw/zinc/90/47/11/1263904711.db2.gz ALGJUFQKWIOLAK-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084388682 1263904716 /nfs/dbraw/zinc/90/47/16/1263904716.db2.gz ALGJUFQKWIOLAK-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC001084484421 1263959050 /nfs/dbraw/zinc/95/90/50/1263959050.db2.gz USKPUXHSSVJKAY-RTBURBONSA-N 1 3 343.515 2.648 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572110 1264033126 /nfs/dbraw/zinc/03/31/26/1264033126.db2.gz VQVMMXXSCLXYKJ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572110 1264033131 /nfs/dbraw/zinc/03/31/31/1264033131.db2.gz VQVMMXXSCLXYKJ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)C1 ZINC001084599117 1264064650 /nfs/dbraw/zinc/06/46/50/1264064650.db2.gz PVBWCOBIWKOEPL-GUDVDZBRSA-N 1 3 333.520 2.607 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCN(CC=C(C)C)C[C@H]32)C1 ZINC001084599117 1264064656 /nfs/dbraw/zinc/06/46/56/1264064656.db2.gz PVBWCOBIWKOEPL-GUDVDZBRSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603804 1264068034 /nfs/dbraw/zinc/06/80/34/1264068034.db2.gz MBBLWEQJKCPGET-BHIYHBOVSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603804 1264068043 /nfs/dbraw/zinc/06/80/43/1264068043.db2.gz MBBLWEQJKCPGET-BHIYHBOVSA-N 1 3 333.520 2.725 20 0 EFADHO CC1CC(C[NH+]2CCC(NC(=O)C(C)(C)N3CCCCC3)CC2)C1 ZINC001002815750 1264121968 /nfs/dbraw/zinc/12/19/68/1264121968.db2.gz RTXDNHFAWBVDMN-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002861085 1264186446 /nfs/dbraw/zinc/18/64/46/1264186446.db2.gz RQZYWLJJEVIKDM-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002861085 1264186448 /nfs/dbraw/zinc/18/64/48/1264186448.db2.gz RQZYWLJJEVIKDM-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701301 1264245308 /nfs/dbraw/zinc/24/53/08/1264245308.db2.gz WXNMRROYZWXXIZ-BHIYHBOVSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001084701301 1264245313 /nfs/dbraw/zinc/24/53/13/1264245313.db2.gz WXNMRROYZWXXIZ-BHIYHBOVSA-N 1 3 333.520 2.584 20 0 EFADHO CSc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cc1 ZINC001272966292 1264275164 /nfs/dbraw/zinc/27/51/64/1264275164.db2.gz QOAOIKAHWZXQIG-QZTJIDSGSA-N 1 3 347.528 2.535 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084767766 1264347204 /nfs/dbraw/zinc/34/72/04/1264347204.db2.gz ILGZMBPHRSCLMZ-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001084767766 1264347207 /nfs/dbraw/zinc/34/72/07/1264347207.db2.gz ILGZMBPHRSCLMZ-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084767888 1264347978 /nfs/dbraw/zinc/34/79/78/1264347978.db2.gz NDEMOPDBYNAUNE-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084767888 1264347987 /nfs/dbraw/zinc/34/79/87/1264347987.db2.gz NDEMOPDBYNAUNE-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21 ZINC001084768190 1264348488 /nfs/dbraw/zinc/34/84/88/1264348488.db2.gz YOBZBYHCAAAQHT-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21 ZINC001084768190 1264348499 /nfs/dbraw/zinc/34/84/99/1264348499.db2.gz YOBZBYHCAAAQHT-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001002956655 1264357931 /nfs/dbraw/zinc/35/79/31/1264357931.db2.gz ZKOZMHBLYDQPCO-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084852006 1264532901 /nfs/dbraw/zinc/53/29/01/1264532901.db2.gz BIDBOZZUXVEXMP-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084852006 1264532906 /nfs/dbraw/zinc/53/29/06/1264532906.db2.gz BIDBOZZUXVEXMP-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084853299 1264540531 /nfs/dbraw/zinc/54/05/31/1264540531.db2.gz GCPDBMBSCFNTTQ-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084853299 1264540535 /nfs/dbraw/zinc/54/05/35/1264540535.db2.gz GCPDBMBSCFNTTQ-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001410254270 1264548254 /nfs/dbraw/zinc/54/82/54/1264548254.db2.gz SJWYHLOVRXVSAI-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001410254270 1264548259 /nfs/dbraw/zinc/54/82/59/1264548259.db2.gz SJWYHLOVRXVSAI-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001410315137 1264761984 /nfs/dbraw/zinc/76/19/84/1264761984.db2.gz TYVGTABWJNRPOW-LJQANCHMSA-N 1 3 340.471 2.596 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964696 1264777569 /nfs/dbraw/zinc/77/75/69/1264777569.db2.gz LTQPYNIDQFFKKU-QYZOEREBSA-N 1 3 337.552 2.932 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001084964696 1264777576 /nfs/dbraw/zinc/77/75/76/1264777576.db2.gz LTQPYNIDQFFKKU-QYZOEREBSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004844 1264886301 /nfs/dbraw/zinc/88/63/01/1264886301.db2.gz NPVAMSCNBZMSDP-ZACQAIPSSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004844 1264886312 /nfs/dbraw/zinc/88/63/12/1264886312.db2.gz NPVAMSCNBZMSDP-ZACQAIPSSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001272993607 1264902125 /nfs/dbraw/zinc/90/21/25/1264902125.db2.gz PGSHUQCQIVRXTE-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001410383283 1264965236 /nfs/dbraw/zinc/96/52/36/1264965236.db2.gz LCIOKWSZCRGDLS-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001003622876 1264981237 /nfs/dbraw/zinc/98/12/37/1264981237.db2.gz AVXOQIYBZNTFQZ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](CCC3CC3)CC2)C1 ZINC001003626249 1264987368 /nfs/dbraw/zinc/98/73/68/1264987368.db2.gz AARUHELGCNAODT-LJQANCHMSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccc(CF)cc3)CC2)C1 ZINC001003626379 1264987611 /nfs/dbraw/zinc/98/76/11/1264987611.db2.gz NNOFFAXIWBNAHB-MRXNPFEDSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001410393780 1265001985 /nfs/dbraw/zinc/00/19/85/1265001985.db2.gz VVJPFNDGPVWGFI-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049578 1265028260 /nfs/dbraw/zinc/02/82/60/1265028260.db2.gz LVWUIYIIZLEGQL-OTWHNJEPSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049578 1265028264 /nfs/dbraw/zinc/02/82/64/1265028264.db2.gz LVWUIYIIZLEGQL-OTWHNJEPSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](CC[C@H](C)F)CC1)N1CCCCCC1 ZINC001003735892 1265112017 /nfs/dbraw/zinc/11/20/17/1265112017.db2.gz MPYJSTCKCRKGHH-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100492 1265142248 /nfs/dbraw/zinc/14/22/48/1265142248.db2.gz HASLTYHFAQYFAV-SQNIBIBYSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)c(CN(C)C)c1 ZINC000733751158 1265401418 /nfs/dbraw/zinc/40/14/18/1265401418.db2.gz GHXSJQNPUNJBLO-UHFFFAOYSA-N 1 3 336.549 2.931 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)CC[N@@H+]1C ZINC001085203849 1266784300 /nfs/dbraw/zinc/78/43/00/1266784300.db2.gz GGFZZCXXUBNHHH-YCEFEEMOSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)CC[N@H+]1C ZINC001085203849 1266784312 /nfs/dbraw/zinc/78/43/12/1266784312.db2.gz GGFZZCXXUBNHHH-YCEFEEMOSA-N 1 3 347.478 2.683 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000734273860 1266931378 /nfs/dbraw/zinc/93/13/78/1266931378.db2.gz PKFDYLSQAGXUST-GOSISDBHSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@H](C1CC1)N1CCCC1 ZINC001085284939 1267031264 /nfs/dbraw/zinc/03/12/64/1267031264.db2.gz UASUSEBDOOWOMQ-QRVBRYPASA-N 1 3 333.520 2.678 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456768 1267086009 /nfs/dbraw/zinc/08/60/09/1267086009.db2.gz HTONUQXTLXNFRJ-VQTJNVASSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456768 1267086016 /nfs/dbraw/zinc/08/60/16/1267086016.db2.gz HTONUQXTLXNFRJ-VQTJNVASSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004476027 1267127958 /nfs/dbraw/zinc/12/79/58/1267127958.db2.gz WWSFSJOUUVWCMC-HJMWAZGYSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004476027 1267127961 /nfs/dbraw/zinc/12/79/61/1267127961.db2.gz WWSFSJOUUVWCMC-HJMWAZGYSA-N 1 3 341.927 2.782 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125442 1267151272 /nfs/dbraw/zinc/15/12/72/1267151272.db2.gz DVQXCHOKPJLQBJ-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125442 1267151275 /nfs/dbraw/zinc/15/12/75/1267151275.db2.gz DVQXCHOKPJLQBJ-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125411 1267151417 /nfs/dbraw/zinc/15/14/17/1267151417.db2.gz CZRALIYNYQAKBV-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125411 1267151423 /nfs/dbraw/zinc/15/14/23/1267151423.db2.gz CZRALIYNYQAKBV-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033126410 1267170551 /nfs/dbraw/zinc/17/05/51/1267170551.db2.gz MRXMFWQBYSWMGC-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033126410 1267170554 /nfs/dbraw/zinc/17/05/54/1267170554.db2.gz MRXMFWQBYSWMGC-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621253 1267193758 /nfs/dbraw/zinc/19/37/58/1267193758.db2.gz QZFBHTHUCOWXFN-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621253 1267193761 /nfs/dbraw/zinc/19/37/61/1267193761.db2.gz QZFBHTHUCOWXFN-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623564 1267217086 /nfs/dbraw/zinc/21/70/86/1267217086.db2.gz MJNNKMKUBFPLAX-OQIJWPOYSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623564 1267217091 /nfs/dbraw/zinc/21/70/91/1267217091.db2.gz MJNNKMKUBFPLAX-OQIJWPOYSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623935 1267219600 /nfs/dbraw/zinc/21/96/00/1267219600.db2.gz VBYPCVFRCINPRK-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623935 1267219608 /nfs/dbraw/zinc/21/96/08/1267219608.db2.gz VBYPCVFRCINPRK-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538829 1267247013 /nfs/dbraw/zinc/24/70/13/1267247013.db2.gz ASWAIEZCZGEZBH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001004538829 1267247022 /nfs/dbraw/zinc/24/70/22/1267247022.db2.gz ASWAIEZCZGEZBH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1)N(C)C ZINC001004540985 1267255837 /nfs/dbraw/zinc/25/58/37/1267255837.db2.gz WEEPQDHCLKQYCB-QZTJIDSGSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1)N(C)C ZINC001004540985 1267255844 /nfs/dbraw/zinc/25/58/44/1267255844.db2.gz WEEPQDHCLKQYCB-QZTJIDSGSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143730 1267258758 /nfs/dbraw/zinc/25/87/58/1267258758.db2.gz KMZOXLLJTYRAEU-PMACEKPBSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143730 1267258770 /nfs/dbraw/zinc/25/87/70/1267258770.db2.gz KMZOXLLJTYRAEU-PMACEKPBSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545451 1267267716 /nfs/dbraw/zinc/26/77/16/1267267716.db2.gz CKMZGBVWRIALOZ-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004545451 1267267725 /nfs/dbraw/zinc/26/77/25/1267267725.db2.gz CKMZGBVWRIALOZ-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CCC3)CC2)C1 ZINC001004548558 1267272197 /nfs/dbraw/zinc/27/21/97/1267272197.db2.gz RSBIJSPQLICZOM-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CCC3)CC2)C1 ZINC001004548558 1267272205 /nfs/dbraw/zinc/27/22/05/1267272205.db2.gz RSBIJSPQLICZOM-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004548732 1267273730 /nfs/dbraw/zinc/27/37/30/1267273730.db2.gz UHEVLYYYUSQHQO-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1 ZINC001004548732 1267273739 /nfs/dbraw/zinc/27/37/39/1267273739.db2.gz UHEVLYYYUSQHQO-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004549222 1267274765 /nfs/dbraw/zinc/27/47/65/1267274765.db2.gz VKMGCNKUMJFBIP-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004549222 1267274773 /nfs/dbraw/zinc/27/47/73/1267274773.db2.gz VKMGCNKUMJFBIP-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004549270 1267275825 /nfs/dbraw/zinc/27/58/25/1267275825.db2.gz WWSFSJOUUVWCMC-IRMRGROASA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004549270 1267275834 /nfs/dbraw/zinc/27/58/34/1267275834.db2.gz WWSFSJOUUVWCMC-IRMRGROASA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004549272 1267276282 /nfs/dbraw/zinc/27/62/82/1267276282.db2.gz WWSFSJOUUVWCMC-YIGKEOEDSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004549272 1267276292 /nfs/dbraw/zinc/27/62/92/1267276292.db2.gz WWSFSJOUUVWCMC-YIGKEOEDSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946632991 1267359043 /nfs/dbraw/zinc/35/90/43/1267359043.db2.gz BQDNSTKVIKGILK-VWAQSERHSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946632991 1267359056 /nfs/dbraw/zinc/35/90/56/1267359056.db2.gz BQDNSTKVIKGILK-VWAQSERHSA-N 1 3 349.563 2.789 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004614850 1267381928 /nfs/dbraw/zinc/38/19/28/1267381928.db2.gz CHFQSBWMCLRQNL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004614850 1267381941 /nfs/dbraw/zinc/38/19/41/1267381941.db2.gz CHFQSBWMCLRQNL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC001085405833 1267391731 /nfs/dbraw/zinc/39/17/31/1267391731.db2.gz AJYMDENIRWRCFH-QZTJIDSGSA-N 1 3 340.471 2.520 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004622059 1267402547 /nfs/dbraw/zinc/40/25/47/1267402547.db2.gz VUSXLRIWPSYAIB-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004622059 1267402551 /nfs/dbraw/zinc/40/25/51/1267402551.db2.gz VUSXLRIWPSYAIB-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001004622115 1267402570 /nfs/dbraw/zinc/40/25/70/1267402570.db2.gz WJHBCXRMWMTAMI-MSOLQXFVSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001004622115 1267402574 /nfs/dbraw/zinc/40/25/74/1267402574.db2.gz WJHBCXRMWMTAMI-MSOLQXFVSA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H]2C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001004616622 1267409714 /nfs/dbraw/zinc/40/97/14/1267409714.db2.gz LOJIBULXLWKONT-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H]2C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001004616622 1267409716 /nfs/dbraw/zinc/40/97/16/1267409716.db2.gz LOJIBULXLWKONT-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001085422224 1267427947 /nfs/dbraw/zinc/42/79/47/1267427947.db2.gz LMXVUXHOPCPIHB-KFKAGJAMSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001085422224 1267427952 /nfs/dbraw/zinc/42/79/52/1267427952.db2.gz LMXVUXHOPCPIHB-KFKAGJAMSA-N 1 3 347.478 2.603 20 0 EFADHO CC[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N(CC)CC ZINC000736019404 1267486218 /nfs/dbraw/zinc/48/62/18/1267486218.db2.gz OKRLZVXAHDTQQB-SFHVURJKSA-N 1 3 335.492 2.710 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)C1CCN(Cc2ccccc2)CC1 ZINC001649120145 1267671810 /nfs/dbraw/zinc/67/18/10/1267671810.db2.gz ZQDXDOSPJCVCFT-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001128532994 1267695454 /nfs/dbraw/zinc/69/54/54/1267695454.db2.gz CZOSJYUIKLXZQL-LJQANCHMSA-N 1 3 349.494 2.840 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085589313 1267950093 /nfs/dbraw/zinc/95/00/93/1267950093.db2.gz JDOWNWZANRFXPA-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085589313 1267950102 /nfs/dbraw/zinc/95/01/02/1267950102.db2.gz JDOWNWZANRFXPA-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CCN(CC2CCCCC2)CC1 ZINC001113644227 1278371315 /nfs/dbraw/zinc/37/13/15/1278371315.db2.gz MRCSSXRERQXHFW-UHFFFAOYSA-N 1 3 335.536 2.977 20 0 EFADHO CN(C[C@@H]1CCN1CCC1=CCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597796 1267959333 /nfs/dbraw/zinc/95/93/33/1267959333.db2.gz GLKCHBMILSHNSI-VQTJNVASSA-N 1 3 345.531 2.751 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001004942458 1268197889 /nfs/dbraw/zinc/19/78/89/1268197889.db2.gz AWUNYEABBNBOPA-QFBILLFUSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004947347 1268200758 /nfs/dbraw/zinc/20/07/58/1268200758.db2.gz AFIMEHDGDXLLBK-YOEHRIQHSA-N 1 3 332.492 2.748 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695362 1268209537 /nfs/dbraw/zinc/20/95/37/1268209537.db2.gz HSLHQYBWEYWGEL-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H]2CN(C)C(=O)c2ccn3cncc3c2)c1 ZINC001085699681 1268230471 /nfs/dbraw/zinc/23/04/71/1268230471.db2.gz UFMFLLKEFDAZIL-IBGZPJMESA-N 1 3 348.450 2.989 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)c2ccn3cncc3c2)c1 ZINC001085699681 1268230479 /nfs/dbraw/zinc/23/04/79/1268230479.db2.gz UFMFLLKEFDAZIL-IBGZPJMESA-N 1 3 348.450 2.989 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004951562 1268241083 /nfs/dbraw/zinc/24/10/83/1268241083.db2.gz FHIQCRRQVFTEAX-CRAIPNDOSA-N 1 3 326.444 2.512 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044748491 1268360702 /nfs/dbraw/zinc/36/07/02/1268360702.db2.gz DNCUYPWBGFRZRF-FUHWJXTLSA-N 1 3 340.471 2.738 20 0 EFADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085741979 1268392060 /nfs/dbraw/zinc/39/20/60/1268392060.db2.gz FIPKHKVBUPDXEQ-SJLPKXTDSA-N 1 3 349.494 2.685 20 0 EFADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782312 1268504953 /nfs/dbraw/zinc/50/49/53/1268504953.db2.gz RLKRUAGRNFYBOO-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782312 1268504962 /nfs/dbraw/zinc/50/49/62/1268504962.db2.gz RLKRUAGRNFYBOO-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC1=C[C@H](C)[C@@H](CN2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001273126339 1268635534 /nfs/dbraw/zinc/63/55/34/1268635534.db2.gz VCNANFBWWWVFIF-QKNQBKEWSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033296742 1268682528 /nfs/dbraw/zinc/68/25/28/1268682528.db2.gz YNGNSPRHBUZCKI-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033296742 1268682535 /nfs/dbraw/zinc/68/25/35/1268682535.db2.gz YNGNSPRHBUZCKI-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832353 1268684884 /nfs/dbraw/zinc/68/48/84/1268684884.db2.gz CQCPUSUSXPMTSP-ZCNNSNEGSA-N 1 3 343.515 2.665 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832353 1268684891 /nfs/dbraw/zinc/68/48/91/1268684891.db2.gz CQCPUSUSXPMTSP-ZCNNSNEGSA-N 1 3 343.515 2.665 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033294739 1268689866 /nfs/dbraw/zinc/68/98/66/1268689866.db2.gz CZZOYKDNKUILRE-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033294739 1268689873 /nfs/dbraw/zinc/68/98/73/1268689873.db2.gz CZZOYKDNKUILRE-UXHICEINSA-N 1 3 347.547 2.974 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294991 1268690460 /nfs/dbraw/zinc/69/04/60/1268690460.db2.gz GRCYSSWXSGOZLC-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294991 1268690470 /nfs/dbraw/zinc/69/04/70/1268690470.db2.gz GRCYSSWXSGOZLC-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033294740 1268690875 /nfs/dbraw/zinc/69/08/75/1268690875.db2.gz CZZOYKDNKUILRE-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033294740 1268690879 /nfs/dbraw/zinc/69/08/79/1268690879.db2.gz CZZOYKDNKUILRE-VQTJNVASSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273128373 1268696608 /nfs/dbraw/zinc/69/66/08/1268696608.db2.gz RSFIBBJYBRBPJZ-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033317534 1268775798 /nfs/dbraw/zinc/77/57/98/1268775798.db2.gz AVGYLJLRGHOHGJ-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033317534 1268775803 /nfs/dbraw/zinc/77/58/03/1268775803.db2.gz AVGYLJLRGHOHGJ-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033318984 1268781171 /nfs/dbraw/zinc/78/11/71/1268781171.db2.gz NHPISVOBRYRABP-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033318984 1268781176 /nfs/dbraw/zinc/78/11/76/1268781176.db2.gz NHPISVOBRYRABP-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(CCc2cccs2)C1 ZINC001033318984 1268781184 /nfs/dbraw/zinc/78/11/84/1268781184.db2.gz NHPISVOBRYRABP-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033417046 1269089617 /nfs/dbraw/zinc/08/96/17/1269089617.db2.gz UOCGPCXONKQMDN-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033417046 1269089624 /nfs/dbraw/zinc/08/96/24/1269089624.db2.gz UOCGPCXONKQMDN-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001033419377 1269099696 /nfs/dbraw/zinc/09/96/96/1269099696.db2.gz JDBHNNZRWIAIDL-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001033419377 1269099707 /nfs/dbraw/zinc/09/97/07/1269099707.db2.gz JDBHNNZRWIAIDL-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085927797 1269128605 /nfs/dbraw/zinc/12/86/05/1269128605.db2.gz HGROIKXHAAVJKI-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928205 1269129852 /nfs/dbraw/zinc/12/98/52/1269129852.db2.gz QCWNCHYUBLQTRL-MSOLQXFVSA-N 1 3 341.499 2.685 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001033425808 1269131700 /nfs/dbraw/zinc/13/17/00/1269131700.db2.gz ZTCKGKUHQHDGGY-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001033425808 1269131704 /nfs/dbraw/zinc/13/17/04/1269131704.db2.gz ZTCKGKUHQHDGGY-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001033472451 1269256099 /nfs/dbraw/zinc/25/60/99/1269256099.db2.gz WDTVTQUIKQNZQY-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033472626 1269258053 /nfs/dbraw/zinc/25/80/53/1269258053.db2.gz ZILVNWJLUPGZFH-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033472626 1269258058 /nfs/dbraw/zinc/25/80/58/1269258058.db2.gz ZILVNWJLUPGZFH-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCN(CC2CCCCCC2)CC1 ZINC001113676242 1278473850 /nfs/dbraw/zinc/47/38/50/1278473850.db2.gz LRCKJROWVUWZAM-UHFFFAOYSA-N 1 3 335.536 2.977 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001005185659 1269332101 /nfs/dbraw/zinc/33/21/01/1269332101.db2.gz UDRQCKWSWIBBIM-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005181823 1269335663 /nfs/dbraw/zinc/33/56/63/1269335663.db2.gz AGVBOCMAFZDVFG-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085986809 1269396774 /nfs/dbraw/zinc/39/67/74/1269396774.db2.gz NKQAXJWXZXIKPF-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085986809 1269396787 /nfs/dbraw/zinc/39/67/87/1269396787.db2.gz NKQAXJWXZXIKPF-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987228 1269400555 /nfs/dbraw/zinc/40/05/55/1269400555.db2.gz XEOSBBISUWLWNV-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987228 1269400558 /nfs/dbraw/zinc/40/05/58/1269400558.db2.gz XEOSBBISUWLWNV-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984534 1269410748 /nfs/dbraw/zinc/41/07/48/1269410748.db2.gz GKMUNTVTXSCHAO-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984534 1269410754 /nfs/dbraw/zinc/41/07/54/1269410754.db2.gz GKMUNTVTXSCHAO-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001085985242 1269411693 /nfs/dbraw/zinc/41/16/93/1269411693.db2.gz WPUMWLWJKGYSFD-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001085985242 1269411703 /nfs/dbraw/zinc/41/17/03/1269411703.db2.gz WPUMWLWJKGYSFD-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CN1CCC[C@@H](C[N@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000741250261 1269416182 /nfs/dbraw/zinc/41/61/82/1269416182.db2.gz IYGYBMKEBQRWAY-CJNGLKHVSA-N 1 3 341.293 2.756 20 0 EFADHO CN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000741250261 1269416187 /nfs/dbraw/zinc/41/61/87/1269416187.db2.gz IYGYBMKEBQRWAY-CJNGLKHVSA-N 1 3 341.293 2.756 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700785546 1269502633 /nfs/dbraw/zinc/50/26/33/1269502633.db2.gz GZJLZQAWRKGPNK-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700789788 1269503613 /nfs/dbraw/zinc/50/36/13/1269503613.db2.gz YHQDCBUQWVNQLP-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033588879 1269506795 /nfs/dbraw/zinc/50/67/95/1269506795.db2.gz LTECCPXUPQOBOC-INIZCTEOSA-N 1 3 344.503 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033588879 1269506804 /nfs/dbraw/zinc/50/68/04/1269506804.db2.gz LTECCPXUPQOBOC-INIZCTEOSA-N 1 3 344.503 2.800 20 0 EFADHO CN1CCCC[C@@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798693 1269508582 /nfs/dbraw/zinc/50/85/82/1269508582.db2.gz BBHOZLICBVNRAI-OALUTQOASA-N 1 3 345.487 2.719 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798693 1269508586 /nfs/dbraw/zinc/50/85/86/1269508586.db2.gz BBHOZLICBVNRAI-OALUTQOASA-N 1 3 345.487 2.719 20 0 EFADHO C[N@H+]1CCCC[C@@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798693 1269508590 /nfs/dbraw/zinc/50/85/90/1269508590.db2.gz BBHOZLICBVNRAI-OALUTQOASA-N 1 3 345.487 2.719 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033663773 1269726118 /nfs/dbraw/zinc/72/61/18/1269726118.db2.gz YWRIHJWRMZQBDR-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033663773 1269726124 /nfs/dbraw/zinc/72/61/24/1269726124.db2.gz YWRIHJWRMZQBDR-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686156 1269798221 /nfs/dbraw/zinc/79/82/21/1269798221.db2.gz NZTHTEDKBIXMNP-NVXWUHKLSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686156 1269798226 /nfs/dbraw/zinc/79/82/26/1269798226.db2.gz NZTHTEDKBIXMNP-NVXWUHKLSA-N 1 3 335.467 2.643 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687150 1269804513 /nfs/dbraw/zinc/80/45/13/1269804513.db2.gz YVSNEOFHDHKVNN-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687150 1269804516 /nfs/dbraw/zinc/80/45/16/1269804516.db2.gz YVSNEOFHDHKVNN-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086084849 1269857609 /nfs/dbraw/zinc/85/76/09/1269857609.db2.gz IQEGLKRIGBMZTQ-ZCNNSNEGSA-N 1 3 343.515 2.586 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086085116 1269858225 /nfs/dbraw/zinc/85/82/25/1269858225.db2.gz SYMBFJPOIGEULC-NZSAHSFTSA-N 1 3 347.547 2.924 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086085303 1269861130 /nfs/dbraw/zinc/86/11/30/1269861130.db2.gz ZUSVBKMREOWVRJ-CEXWTWQISA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410863591 1269914931 /nfs/dbraw/zinc/91/49/31/1269914931.db2.gz OSAFIXKVEPJTFM-GOEBONIOSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001410867970 1269947094 /nfs/dbraw/zinc/94/70/94/1269947094.db2.gz SDHZZUNRWBMTFW-KGLIPLIRSA-N 1 3 348.318 2.760 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C[C@@H]1C ZINC001410875977 1269994679 /nfs/dbraw/zinc/99/46/79/1269994679.db2.gz KQPYXVVQCXWLJU-JXFKEZNVSA-N 1 3 343.515 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001410873345 1269997638 /nfs/dbraw/zinc/99/76/38/1269997638.db2.gz JLKADLDHZDZIJF-NVXWUHKLSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@H]1C ZINC001410873345 1269997644 /nfs/dbraw/zinc/99/76/44/1269997644.db2.gz JLKADLDHZDZIJF-NVXWUHKLSA-N 1 3 343.471 2.854 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001410945468 1270331782 /nfs/dbraw/zinc/33/17/82/1270331782.db2.gz CVPXEBKMJZMSGK-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001410957725 1270433638 /nfs/dbraw/zinc/43/36/38/1270433638.db2.gz OJWAWUUWAPBUCK-OALUTQOASA-N 1 3 331.504 2.711 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086270456 1270779294 /nfs/dbraw/zinc/77/92/94/1270779294.db2.gz GKDDJKZHJIJHRX-FPCVCCKLSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086270456 1270779302 /nfs/dbraw/zinc/77/93/02/1270779302.db2.gz GKDDJKZHJIJHRX-FPCVCCKLSA-N 1 3 349.906 2.837 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001086364698 1271168688 /nfs/dbraw/zinc/16/86/88/1271168688.db2.gz NNSDWATULQYGJW-UFYCRDLUSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001086364735 1271168843 /nfs/dbraw/zinc/16/88/43/1271168843.db2.gz PDJURDASYGAERR-SZMVWBNQSA-N 1 3 349.544 2.914 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086381952 1271224933 /nfs/dbraw/zinc/22/49/33/1271224933.db2.gz NLUZXOZYWMIGGS-VAMGGRTRSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034288161 1271567201 /nfs/dbraw/zinc/56/72/01/1271567201.db2.gz LUJDGKRLYIVPLL-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034288161 1271567205 /nfs/dbraw/zinc/56/72/05/1271567205.db2.gz LUJDGKRLYIVPLL-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034288162 1271567773 /nfs/dbraw/zinc/56/77/73/1271567773.db2.gz LUJDGKRLYIVPLL-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034288162 1271567780 /nfs/dbraw/zinc/56/77/80/1271567780.db2.gz LUJDGKRLYIVPLL-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CCN1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329232 1271668802 /nfs/dbraw/zinc/66/88/02/1271668802.db2.gz GGIBPKUWHDBAKE-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329232 1271668807 /nfs/dbraw/zinc/66/88/07/1271668807.db2.gz GGIBPKUWHDBAKE-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329232 1271668811 /nfs/dbraw/zinc/66/88/11/1271668811.db2.gz GGIBPKUWHDBAKE-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329229 1271669772 /nfs/dbraw/zinc/66/97/72/1271669772.db2.gz GGIBPKUWHDBAKE-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329229 1271669782 /nfs/dbraw/zinc/66/97/82/1271669782.db2.gz GGIBPKUWHDBAKE-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034329229 1271669787 /nfs/dbraw/zinc/66/97/87/1271669787.db2.gz GGIBPKUWHDBAKE-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331656 1271676147 /nfs/dbraw/zinc/67/61/47/1271676147.db2.gz UXAGTJYLKZUZSF-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCC[N@@H+](CC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331656 1271676152 /nfs/dbraw/zinc/67/61/52/1271676152.db2.gz UXAGTJYLKZUZSF-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399310 1271893637 /nfs/dbraw/zinc/89/36/37/1271893637.db2.gz SGXIZPSTZSFZMR-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399310 1271893644 /nfs/dbraw/zinc/89/36/44/1271893644.db2.gz SGXIZPSTZSFZMR-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399308 1271895255 /nfs/dbraw/zinc/89/52/55/1271895255.db2.gz SGXIZPSTZSFZMR-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399308 1271895270 /nfs/dbraw/zinc/89/52/70/1271895270.db2.gz SGXIZPSTZSFZMR-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)CC1 ZINC000746241028 1271927823 /nfs/dbraw/zinc/92/78/23/1271927823.db2.gz UGHHVMFLONFPMI-SFHVURJKSA-N 1 3 329.488 2.626 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746292091 1271945695 /nfs/dbraw/zinc/94/56/95/1271945695.db2.gz AHFORCFYWVLIEL-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746292091 1271945705 /nfs/dbraw/zinc/94/57/05/1271945705.db2.gz AHFORCFYWVLIEL-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001411247470 1272125915 /nfs/dbraw/zinc/12/59/15/1272125915.db2.gz GJKFANNAIQMRKT-QLOJAFMTSA-N 1 3 343.515 2.983 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486885 1272137982 /nfs/dbraw/zinc/13/79/82/1272137982.db2.gz CQWOANYLUONCBL-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486885 1272137985 /nfs/dbraw/zinc/13/79/85/1272137985.db2.gz CQWOANYLUONCBL-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034524269 1272191202 /nfs/dbraw/zinc/19/12/02/1272191202.db2.gz FNWMFZIOLYGNSI-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034524269 1272191204 /nfs/dbraw/zinc/19/12/04/1272191204.db2.gz FNWMFZIOLYGNSI-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524540 1272191615 /nfs/dbraw/zinc/19/16/15/1272191615.db2.gz HFYQDDHNBNDZQP-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524540 1272191622 /nfs/dbraw/zinc/19/16/22/1272191622.db2.gz HFYQDDHNBNDZQP-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524541 1272192245 /nfs/dbraw/zinc/19/22/45/1272192245.db2.gz HFYQDDHNBNDZQP-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524541 1272192251 /nfs/dbraw/zinc/19/22/51/1272192251.db2.gz HFYQDDHNBNDZQP-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C/C=C\c3ccccc3)C2)C1 ZINC001034524761 1272192683 /nfs/dbraw/zinc/19/26/83/1272192683.db2.gz HRAVZQIKJVKVIX-NBZYPHCYSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C/C=C\c3ccccc3)C2)C1 ZINC001034524761 1272192688 /nfs/dbraw/zinc/19/26/88/1272192688.db2.gz HRAVZQIKJVKVIX-NBZYPHCYSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525856 1272194364 /nfs/dbraw/zinc/19/43/64/1272194364.db2.gz QOAYKLGDWHGIPV-PKOBYXMFSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034525856 1272194369 /nfs/dbraw/zinc/19/43/69/1272194369.db2.gz QOAYKLGDWHGIPV-PKOBYXMFSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034544353 1272259511 /nfs/dbraw/zinc/25/95/11/1272259511.db2.gz QHKIEHQSQHECAJ-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034544353 1272259516 /nfs/dbraw/zinc/25/95/16/1272259516.db2.gz QHKIEHQSQHECAJ-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1C[C@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832329 1272433799 /nfs/dbraw/zinc/43/37/99/1272433799.db2.gz ZYVYRXUEQLEHEA-YOEHRIQHSA-N 1 3 337.508 2.848 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001168756137 1272556338 /nfs/dbraw/zinc/55/63/38/1272556338.db2.gz VHGQPGXLFSQESF-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC001169079156 1272657291 /nfs/dbraw/zinc/65/72/91/1272657291.db2.gz JCRPKWKHFXNPDP-QKPAOTATSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001169118411 1272674312 /nfs/dbraw/zinc/67/43/12/1272674312.db2.gz JGHFDUGOKLXVSY-GGPHIMKMSA-N 1 3 327.472 2.918 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169129153 1272684524 /nfs/dbraw/zinc/68/45/24/1272684524.db2.gz HCPNWZQCWFMJGY-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129153 1272684530 /nfs/dbraw/zinc/68/45/30/1272684530.db2.gz HCPNWZQCWFMJGY-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169129158 1272684960 /nfs/dbraw/zinc/68/49/60/1272684960.db2.gz HCPNWZQCWFMJGY-YVSFHVDLSA-N 1 3 337.508 2.943 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129158 1272684966 /nfs/dbraw/zinc/68/49/66/1272684966.db2.gz HCPNWZQCWFMJGY-YVSFHVDLSA-N 1 3 337.508 2.943 20 0 EFADHO Cc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc(N2CCOCC2)n1 ZINC001169135589 1272694863 /nfs/dbraw/zinc/69/48/63/1272694863.db2.gz BFPWVMACQZKTMS-DNVCBOLYSA-N 1 3 347.507 2.577 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(CC(NC(=O)OC(C)(C)C)C3)C1)C2 ZINC001169139715 1272699644 /nfs/dbraw/zinc/69/96/44/1272699644.db2.gz DZQOGVZYVKSFHB-MUJYYYPQSA-N 1 3 335.492 2.601 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153058 1272716788 /nfs/dbraw/zinc/71/67/88/1272716788.db2.gz GKONRMANULSLQN-PASDCYSWSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153058 1272716793 /nfs/dbraw/zinc/71/67/93/1272716793.db2.gz GKONRMANULSLQN-PASDCYSWSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140494 1272726850 /nfs/dbraw/zinc/72/68/50/1272726850.db2.gz KLGRILGNLBMHSL-NCOADZHNSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC[C@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140494 1272726858 /nfs/dbraw/zinc/72/68/58/1272726858.db2.gz KLGRILGNLBMHSL-NCOADZHNSA-N 1 3 337.508 2.848 20 0 EFADHO CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034732498 1272755774 /nfs/dbraw/zinc/75/57/74/1272755774.db2.gz CMAQEGKSJNEIJD-IIDMSEBBSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034733346 1272759536 /nfs/dbraw/zinc/75/95/36/1272759536.db2.gz WMMDXKBSQYLWPI-GPMSIDNRSA-N 1 3 341.515 2.872 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)C1 ZINC001034733302 1272759834 /nfs/dbraw/zinc/75/98/34/1272759834.db2.gz AJXYVXCBHMHSPO-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034733345 1272760364 /nfs/dbraw/zinc/76/03/64/1272760364.db2.gz WMMDXKBSQYLWPI-BXWFABGCSA-N 1 3 341.515 2.872 20 0 EFADHO CN1CCCC[C@H]1c1ccc(NCc2ncn3c2C[NH2+]CCC3)nc1 ZINC001169240984 1272764403 /nfs/dbraw/zinc/76/44/03/1272764403.db2.gz OBCOTHJWHPXBPZ-KRWDZBQOSA-N 1 3 340.475 2.540 20 0 EFADHO CC[NH+]1CCC(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246027 1272767406 /nfs/dbraw/zinc/76/74/06/1272767406.db2.gz MGWWMDSUCNHKOF-LJQANCHMSA-N 1 3 337.508 2.804 20 0 EFADHO CC[NH+]1CCC(N2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001169251181 1272773889 /nfs/dbraw/zinc/77/38/89/1272773889.db2.gz VLPQHINHSLPAJH-DOTOQJQBSA-N 1 3 337.508 2.802 20 0 EFADHO C[C@@H]1CN(Cc2ccc(Br)cc2N)CCC[C@H]1C[NH3+] ZINC001206005857 1272790424 /nfs/dbraw/zinc/79/04/24/1272790424.db2.gz ZAHOYGJNCSIYJN-NEPJUHHUSA-N 1 3 326.282 2.838 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001169451969 1272925027 /nfs/dbraw/zinc/92/50/27/1272925027.db2.gz KICPJQHYAHMDGW-MRXNPFEDSA-N 1 3 349.494 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2)CC1 ZINC001034786041 1272962834 /nfs/dbraw/zinc/96/28/34/1272962834.db2.gz IKUGAIVWVMEEBB-IYARVYRRSA-N 1 3 340.471 2.786 20 0 EFADHO CC(=O)N1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)C1 ZINC001169546936 1273022794 /nfs/dbraw/zinc/02/27/94/1273022794.db2.gz SYORDFMVRSWMAD-SEVLPDGMSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@@H](N2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)C1 ZINC001169546936 1273022801 /nfs/dbraw/zinc/02/28/01/1273022801.db2.gz SYORDFMVRSWMAD-SEVLPDGMSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@@H]([N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)C1 ZINC001169546936 1273022812 /nfs/dbraw/zinc/02/28/12/1273022812.db2.gz SYORDFMVRSWMAD-SEVLPDGMSA-N 1 3 341.499 2.718 20 0 EFADHO CC(=O)N1CC[C@@H]([N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C(C)C)[C@H]3C2)C1 ZINC001169546936 1273022819 /nfs/dbraw/zinc/02/28/19/1273022819.db2.gz SYORDFMVRSWMAD-SEVLPDGMSA-N 1 3 341.499 2.718 20 0 EFADHO CCOC(=O)N1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001169661222 1273073274 /nfs/dbraw/zinc/07/32/74/1273073274.db2.gz HPBRVSNKYADGHF-INIZCTEOSA-N 1 3 337.508 2.994 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)C1 ZINC001034831259 1273095416 /nfs/dbraw/zinc/09/54/16/1273095416.db2.gz OWZFICYNMGFDHK-GOSISDBHSA-N 1 3 343.496 2.606 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)C1 ZINC001034831259 1273095428 /nfs/dbraw/zinc/09/54/28/1273095428.db2.gz OWZFICYNMGFDHK-GOSISDBHSA-N 1 3 343.496 2.606 20 0 EFADHO C[N@H+](CCCN1CCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169774208 1273159155 /nfs/dbraw/zinc/15/91/55/1273159155.db2.gz FABWOKYKGGAJIL-IBGZPJMESA-N 1 3 329.488 2.709 20 0 EFADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169774208 1273159163 /nfs/dbraw/zinc/15/91/63/1273159163.db2.gz FABWOKYKGGAJIL-IBGZPJMESA-N 1 3 329.488 2.709 20 0 EFADHO c1ccc(CN2CCC(C[NH2+][C@H]3CCCC4(C3)OCCO4)CC2)nc1 ZINC001169923892 1273263669 /nfs/dbraw/zinc/26/36/69/1273263669.db2.gz KEUIGYGQGARSAX-SFHVURJKSA-N 1 3 345.487 2.569 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001034957220 1273271100 /nfs/dbraw/zinc/27/11/00/1273271100.db2.gz NVSXEDFESQNDQD-CRAIPNDOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957057 1273271144 /nfs/dbraw/zinc/27/11/44/1273271144.db2.gz JANDPOYEFFRRML-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957967 1273273088 /nfs/dbraw/zinc/27/30/88/1273273088.db2.gz RIZYVZGWXCMODQ-LJQANCHMSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C)N(C)C ZINC001034971197 1273287283 /nfs/dbraw/zinc/28/72/83/1273287283.db2.gz FOTFMTNOAWPCIT-YQVWRLOYSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCCN2C)c1 ZINC001034973881 1273293876 /nfs/dbraw/zinc/29/38/76/1273293876.db2.gz UBNHXNPNHFCRTH-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001034973696 1273294246 /nfs/dbraw/zinc/29/42/46/1273294246.db2.gz AWAVDFVZLQYZMV-NIKGAXFTSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001034974235 1273296217 /nfs/dbraw/zinc/29/62/17/1273296217.db2.gz FPUKUYVYUURUNO-IIDMSEBBSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001034974863 1273298789 /nfs/dbraw/zinc/29/87/89/1273298789.db2.gz JWDHSLGQIOTCHA-QXAKKESOSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001034975578 1273300124 /nfs/dbraw/zinc/30/01/24/1273300124.db2.gz UKKOGCPPCGMGFP-QZTJIDSGSA-N 1 3 335.467 2.555 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034961294 1273311729 /nfs/dbraw/zinc/31/17/29/1273311729.db2.gz GWOPAODEMDHGPK-QZTJIDSGSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034961294 1273311738 /nfs/dbraw/zinc/31/17/38/1273311738.db2.gz GWOPAODEMDHGPK-QZTJIDSGSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c(C)s1 ZINC001034961424 1273313844 /nfs/dbraw/zinc/31/38/44/1273313844.db2.gz RUMVUYBEKLICSW-QZTJIDSGSA-N 1 3 349.544 2.786 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001034965985 1273320088 /nfs/dbraw/zinc/32/00/88/1273320088.db2.gz MEINLJGAURGXTM-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001129356695 1273373168 /nfs/dbraw/zinc/37/31/68/1273373168.db2.gz FYHTXGCXSXYDNR-INIZCTEOSA-N 1 3 337.895 2.981 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704121 1273378152 /nfs/dbraw/zinc/37/81/52/1273378152.db2.gz BQEKKRMTAZSAQB-SCTDSRPQSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001035028303 1273405593 /nfs/dbraw/zinc/40/55/93/1273405593.db2.gz KPSNQJVCLXPMQG-XYJFISCASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001035028303 1273405606 /nfs/dbraw/zinc/40/56/06/1273405606.db2.gz KPSNQJVCLXPMQG-XYJFISCASA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001035038298 1273423405 /nfs/dbraw/zinc/42/34/05/1273423405.db2.gz DQKJWQOSVBVYJT-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1)N(C)C ZINC001035039964 1273426345 /nfs/dbraw/zinc/42/63/45/1273426345.db2.gz PQQFBVYPCBIGJF-QXAKKESOSA-N 1 3 331.504 2.914 20 0 EFADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001035039815 1273426366 /nfs/dbraw/zinc/42/63/66/1273426366.db2.gz QVJMBOJNORCUMM-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001035062319 1273448993 /nfs/dbraw/zinc/44/89/93/1273448993.db2.gz FMGVAWNVLRNGNF-QGZVFWFLSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001035063516 1273451317 /nfs/dbraw/zinc/45/13/17/1273451317.db2.gz XOPNXEYKNIPYNA-MAUKXSAKSA-N 1 3 326.444 2.602 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001035047300 1273462660 /nfs/dbraw/zinc/46/26/60/1273462660.db2.gz AAFQKKFNPMSJLM-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1F ZINC001035047758 1273464199 /nfs/dbraw/zinc/46/41/99/1273464199.db2.gz GUFKPMQMPFNLTI-MAUKXSAKSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001035047476 1273464213 /nfs/dbraw/zinc/46/42/13/1273464213.db2.gz DKBLOLIWSZVKKC-HNAYVOBHSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001035049500 1273466481 /nfs/dbraw/zinc/46/64/81/1273466481.db2.gz PDZLPKYDGIFHQA-QFBILLFUSA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764554 1273467619 /nfs/dbraw/zinc/46/76/19/1273467619.db2.gz PDIYHSDMMGUONU-BZSNNMDCSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001035050154 1273468749 /nfs/dbraw/zinc/46/87/49/1273468749.db2.gz WBLUZUOXPDNBDV-HNAYVOBHSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001035051451 1273470188 /nfs/dbraw/zinc/47/01/88/1273470188.db2.gz MVQJDLYTOSLFEP-VQIMIIECSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001035052195 1273470243 /nfs/dbraw/zinc/47/02/43/1273470243.db2.gz HYFJVIZPQLSLKI-MOPGFXCFSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001035052608 1273470703 /nfs/dbraw/zinc/47/07/03/1273470703.db2.gz RGJRZQYXWMSYTD-AEFFLSMTSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001035127720 1273591948 /nfs/dbraw/zinc/59/19/48/1273591948.db2.gz XJDZMNBLVZTQES-MAUKXSAKSA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001035132524 1273603198 /nfs/dbraw/zinc/60/31/98/1273603198.db2.gz ARDVBVAENHIZJD-RTBURBONSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000704789867 1273659507 /nfs/dbraw/zinc/65/95/07/1273659507.db2.gz WQQLIIQYZSQUTA-IAGOWNOFSA-N 1 3 325.447 2.811 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035199028 1273766709 /nfs/dbraw/zinc/76/67/09/1273766709.db2.gz ZSBCWAJUYNLRKC-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035199028 1273766716 /nfs/dbraw/zinc/76/67/16/1273766716.db2.gz ZSBCWAJUYNLRKC-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194009 1273815278 /nfs/dbraw/zinc/81/52/78/1273815278.db2.gz SLHMYVGUHBCOMG-SFHVURJKSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)N(C)C)CC2 ZINC001035194009 1273815286 /nfs/dbraw/zinc/81/52/86/1273815286.db2.gz SLHMYVGUHBCOMG-SFHVURJKSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194030 1273816268 /nfs/dbraw/zinc/81/62/68/1273816268.db2.gz SVGNUTXNFGHQHO-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194030 1273816277 /nfs/dbraw/zinc/81/62/77/1273816277.db2.gz SVGNUTXNFGHQHO-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001035226661 1273846845 /nfs/dbraw/zinc/84/68/45/1273846845.db2.gz JHPYKOZFTCFJPK-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001035226661 1273846851 /nfs/dbraw/zinc/84/68/51/1273846851.db2.gz JHPYKOZFTCFJPK-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227674 1273849359 /nfs/dbraw/zinc/84/93/59/1273849359.db2.gz VIOGTGCFZSSGFH-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227674 1273849370 /nfs/dbraw/zinc/84/93/70/1273849370.db2.gz VIOGTGCFZSSGFH-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035227684 1273851194 /nfs/dbraw/zinc/85/11/94/1273851194.db2.gz VTSWYYJKYUACDU-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035227684 1273851203 /nfs/dbraw/zinc/85/12/03/1273851203.db2.gz VTSWYYJKYUACDU-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231228 1273940000 /nfs/dbraw/zinc/94/00/00/1273940000.db2.gz KUYNUNVWTWOPBM-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001035231228 1273940005 /nfs/dbraw/zinc/94/00/05/1273940005.db2.gz KUYNUNVWTWOPBM-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035260332 1273955498 /nfs/dbraw/zinc/95/54/98/1273955498.db2.gz UFAFBRHPMJTBIC-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035260332 1273955503 /nfs/dbraw/zinc/95/55/03/1273955503.db2.gz UFAFBRHPMJTBIC-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001035254466 1273983619 /nfs/dbraw/zinc/98/36/19/1273983619.db2.gz HVWWQNXWGNVBGZ-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001035254466 1273983625 /nfs/dbraw/zinc/98/36/25/1273983625.db2.gz HVWWQNXWGNVBGZ-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001035254256 1273984208 /nfs/dbraw/zinc/98/42/08/1273984208.db2.gz DRZMAOYXEFYYSD-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001035254256 1273984213 /nfs/dbraw/zinc/98/42/13/1273984213.db2.gz DRZMAOYXEFYYSD-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN2CCCC2)CC3)C1 ZINC001035254627 1273985158 /nfs/dbraw/zinc/98/51/58/1273985158.db2.gz OADJPDBKIVDWDM-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN2CCCC2)CC3)C1 ZINC001035254627 1273985162 /nfs/dbraw/zinc/98/51/62/1273985162.db2.gz OADJPDBKIVDWDM-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361024 1274192059 /nfs/dbraw/zinc/19/20/59/1274192059.db2.gz JWJGHJQDZKGVPP-QZWWFDLISA-N 1 3 327.488 2.578 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361024 1274192066 /nfs/dbraw/zinc/19/20/66/1274192066.db2.gz JWJGHJQDZKGVPP-QZWWFDLISA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)N(C)C ZINC001109427026 1274263559 /nfs/dbraw/zinc/26/35/59/1274263559.db2.gz KWFFLVKIDAJSMU-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)N(C)C ZINC001109427026 1274263565 /nfs/dbraw/zinc/26/35/65/1274263565.db2.gz KWFFLVKIDAJSMU-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001035669523 1274368390 /nfs/dbraw/zinc/36/83/90/1274368390.db2.gz SDVJJRTULAPKSV-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742022 1274436014 /nfs/dbraw/zinc/43/60/14/1274436014.db2.gz TUFSZRJFFGVTHT-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742022 1274436020 /nfs/dbraw/zinc/43/60/20/1274436020.db2.gz TUFSZRJFFGVTHT-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CCC[NH+]1CC2(C1)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035794198 1274492616 /nfs/dbraw/zinc/49/26/16/1274492616.db2.gz ADSOAHQPHPDVEW-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035796420 1274494308 /nfs/dbraw/zinc/49/43/08/1274494308.db2.gz CGKFQCJEPXADLC-SFHVURJKSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)N(C)C ZINC001035796711 1274494666 /nfs/dbraw/zinc/49/46/66/1274494666.db2.gz KYKYRWJJGLCFEO-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035796419 1274494857 /nfs/dbraw/zinc/49/48/57/1274494857.db2.gz CGKFQCJEPXADLC-GOSISDBHSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035798278 1274495899 /nfs/dbraw/zinc/49/58/99/1274495899.db2.gz LRIDYBYUZLSTOB-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001035804624 1274528733 /nfs/dbraw/zinc/52/87/33/1274528733.db2.gz RIUIFPQFCCFOLL-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)N(C)C ZINC001109687268 1274554039 /nfs/dbraw/zinc/55/40/39/1274554039.db2.gz XSBGLGPVPUOENT-YDZRNGNQSA-N 1 3 333.520 2.795 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)N(C)C ZINC001109687268 1274554047 /nfs/dbraw/zinc/55/40/47/1274554047.db2.gz XSBGLGPVPUOENT-YDZRNGNQSA-N 1 3 333.520 2.795 20 0 EFADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035856301 1274603521 /nfs/dbraw/zinc/60/35/21/1274603521.db2.gz MBCGNRMTTCQMIV-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001035857267 1274606666 /nfs/dbraw/zinc/60/66/66/1274606666.db2.gz LAUGELYLUOXEDS-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CCC(C)C)C2)CC1 ZINC001035858213 1274609310 /nfs/dbraw/zinc/60/93/10/1274609310.db2.gz QDHXBLHCXSAPJL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001411282273 1274638253 /nfs/dbraw/zinc/63/82/53/1274638253.db2.gz PCBHFELCLMNSFB-KDLUZPRVSA-N 1 3 329.488 2.619 20 0 EFADHO [NH3+]Cc1ccc2nnn(-c3ccc(F)c(CN4CCCC4)c3)c2c1 ZINC001170026521 1274731938 /nfs/dbraw/zinc/73/19/38/1274731938.db2.gz NDIYJLJWDFRDGK-UHFFFAOYSA-N 1 3 325.391 2.614 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036027137 1274899360 /nfs/dbraw/zinc/89/93/60/1274899360.db2.gz GGHDTKKXFXGEGC-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001036055104 1274981259 /nfs/dbraw/zinc/98/12/59/1274981259.db2.gz NJPONXIOGMCTDN-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001036055071 1274981548 /nfs/dbraw/zinc/98/15/48/1274981548.db2.gz NGCGBHPUWTXNCJ-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001036055949 1274982260 /nfs/dbraw/zinc/98/22/60/1274982260.db2.gz RVAUGASZSNISAT-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCc1cccs1 ZINC001036055934 1274982394 /nfs/dbraw/zinc/98/23/94/1274982394.db2.gz RJTKXFQMXLHZKC-NVXWUHKLSA-N 1 3 349.544 2.602 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110013409 1274986387 /nfs/dbraw/zinc/98/63/87/1274986387.db2.gz IFJRZLSNZIRBLC-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001110013409 1274986397 /nfs/dbraw/zinc/98/63/97/1274986397.db2.gz IFJRZLSNZIRBLC-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036060757 1274988578 /nfs/dbraw/zinc/98/85/78/1274988578.db2.gz BZIRFDXABNHNTP-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036065299 1275016747 /nfs/dbraw/zinc/01/67/47/1275016747.db2.gz OGMJJGCIUCDDMG-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036065319 1275017040 /nfs/dbraw/zinc/01/70/40/1275017040.db2.gz OLCNBGNYAIAZNB-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036065328 1275017636 /nfs/dbraw/zinc/01/76/36/1275017636.db2.gz OLCNBGNYAIAZNB-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001036069638 1275025906 /nfs/dbraw/zinc/02/59/06/1275025906.db2.gz ZBMKSPFCZBIEKE-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548648 1275129481 /nfs/dbraw/zinc/12/94/81/1275129481.db2.gz JQOZHRCJQNWOJQ-ICSRJNTNSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)c1 ZINC001036197128 1275210188 /nfs/dbraw/zinc/21/01/88/1275210188.db2.gz DJQKPKLIVVQQFD-VQIMIIECSA-N 1 3 340.471 2.596 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001112567320 1275219015 /nfs/dbraw/zinc/21/90/15/1275219015.db2.gz INVYKJUIAZJGTF-FPOVZHCZSA-N 1 3 343.515 2.747 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036203669 1275222040 /nfs/dbraw/zinc/22/20/40/1275222040.db2.gz HFDBCNNHCRIRRE-KXBFYZLASA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001036205687 1275223958 /nfs/dbraw/zinc/22/39/58/1275223958.db2.gz NCMQSCJHPZGIOU-SUMWQHHRSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC001036206174 1275224778 /nfs/dbraw/zinc/22/47/78/1275224778.db2.gz PLLYQWXAYJSFRL-GUYCJALGSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036191948 1275249328 /nfs/dbraw/zinc/24/93/28/1275249328.db2.gz IDQMIISWFNSNGC-AEFFLSMTSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036191926 1275249610 /nfs/dbraw/zinc/24/96/10/1275249610.db2.gz FYTJPLZKNVWKLA-APWZRJJASA-N 1 3 340.471 2.596 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112585754 1275309234 /nfs/dbraw/zinc/30/92/34/1275309234.db2.gz PNZKIHZPMCBHCL-ZJOUEHCJSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCCC[N@H+]1CC(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000786741010 1275501576 /nfs/dbraw/zinc/50/15/76/1275501576.db2.gz IQTXBTPYHWJPER-HNNXBMFYSA-N 1 3 336.455 2.630 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CC(N)=NOCCN(C)Cc1ccc(F)cc1 ZINC000786741010 1275501570 /nfs/dbraw/zinc/50/15/70/1275501570.db2.gz IQTXBTPYHWJPER-HNNXBMFYSA-N 1 3 336.455 2.630 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786790318 1275532433 /nfs/dbraw/zinc/53/24/33/1275532433.db2.gz QEMWDYFIKRAUQY-HNNXBMFYSA-N 1 3 342.487 2.741 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786833708 1275537527 /nfs/dbraw/zinc/53/75/27/1275537527.db2.gz ZLKBQZQXWUGOFY-IRXDYDNUSA-N 1 3 344.503 2.987 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036416395 1275565019 /nfs/dbraw/zinc/56/50/19/1275565019.db2.gz ULNOGGDFLLUMQJ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cs1 ZINC001036449190 1275609864 /nfs/dbraw/zinc/60/98/64/1275609864.db2.gz FAWJGVFOEYKJJQ-HOCLYGCPSA-N 1 3 346.500 2.739 20 0 EFADHO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CN1CCCC1 ZINC000746652808 1275698607 /nfs/dbraw/zinc/69/86/07/1275698607.db2.gz RDGQPIBWYKEARU-MRXNPFEDSA-N 1 3 330.394 2.984 20 0 EFADHO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)CN1CCCC1 ZINC000746652808 1275698616 /nfs/dbraw/zinc/69/86/16/1275698616.db2.gz RDGQPIBWYKEARU-MRXNPFEDSA-N 1 3 330.394 2.984 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036469609 1275712889 /nfs/dbraw/zinc/71/28/89/1275712889.db2.gz ASVUDSISBYPYEI-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036473919 1275720611 /nfs/dbraw/zinc/72/06/11/1275720611.db2.gz MOJCDMXRHCEZEI-FUHWJXTLSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450602 1275732427 /nfs/dbraw/zinc/73/24/27/1275732427.db2.gz OKFSCYXORXFFLO-ZBFHGGJFSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086552361 1275735416 /nfs/dbraw/zinc/73/54/16/1275735416.db2.gz GKDDJKZHJIJHRX-LVQVYYBASA-N 1 3 349.906 2.837 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086552361 1275735423 /nfs/dbraw/zinc/73/54/23/1275735423.db2.gz GKDDJKZHJIJHRX-LVQVYYBASA-N 1 3 349.906 2.837 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135975744 1276274453 /nfs/dbraw/zinc/27/44/53/1276274453.db2.gz BRLUEGSLNMTRFT-RYUDHWBXSA-N 1 3 346.928 2.511 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135975992 1276274634 /nfs/dbraw/zinc/27/46/34/1276274634.db2.gz FWPVKTPIXVEAID-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135975843 1276274702 /nfs/dbraw/zinc/27/47/02/1276274702.db2.gz DKFZVMBGNNFCPW-IAGOWNOFSA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135976506 1276274921 /nfs/dbraw/zinc/27/49/21/1276274921.db2.gz KNEZBOQWFXNXES-CVEARBPZSA-N 1 3 337.483 2.871 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135977646 1276276363 /nfs/dbraw/zinc/27/63/63/1276276363.db2.gz WXHZYKYFCNLAAX-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135991354 1276280354 /nfs/dbraw/zinc/28/03/54/1276280354.db2.gz CFRXZRQAEATTJF-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135991354 1276280358 /nfs/dbraw/zinc/28/03/58/1276280358.db2.gz CFRXZRQAEATTJF-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001135995604 1276285863 /nfs/dbraw/zinc/28/58/63/1276285863.db2.gz IJQSHOJYBOLJRM-OFLZDLGMSA-N 1 3 338.323 2.910 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001135995604 1276285866 /nfs/dbraw/zinc/28/58/66/1276285866.db2.gz IJQSHOJYBOLJRM-OFLZDLGMSA-N 1 3 338.323 2.910 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001135995602 1276286102 /nfs/dbraw/zinc/28/61/02/1276286102.db2.gz IJQSHOJYBOLJRM-HUPKAIDTSA-N 1 3 338.323 2.910 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C\Cl ZINC001135995602 1276286105 /nfs/dbraw/zinc/28/61/05/1276286105.db2.gz IJQSHOJYBOLJRM-HUPKAIDTSA-N 1 3 338.323 2.910 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001136030880 1276339271 /nfs/dbraw/zinc/33/92/71/1276339271.db2.gz DJMWLWRROAAOOU-HZPDHXFCSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001136031570 1276340535 /nfs/dbraw/zinc/34/05/35/1276340535.db2.gz MVUBTGCVRBRSLG-KBPBESRZSA-N 1 3 346.450 2.515 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)cc1 ZINC001136031566 1276340555 /nfs/dbraw/zinc/34/05/55/1276340555.db2.gz MVLNCZJNMFZMHP-CABCVRRESA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001136031420 1276340631 /nfs/dbraw/zinc/34/06/31/1276340631.db2.gz KVOZTRWKWLDFNH-UONOGXRCSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001136031942 1276341176 /nfs/dbraw/zinc/34/11/76/1276341176.db2.gz TZKSNAOBIVTRBP-NEPJUHHUSA-N 1 3 334.489 2.704 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001136031943 1276341972 /nfs/dbraw/zinc/34/19/72/1276341972.db2.gz TZKSNAOBIVTRBP-NWDGAFQWSA-N 1 3 334.489 2.704 20 0 EFADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000817896634 1276364740 /nfs/dbraw/zinc/36/47/40/1276364740.db2.gz MOMBJPZUSZKUFK-LZLYRXPVSA-N 1 3 330.453 2.627 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901694 1276366932 /nfs/dbraw/zinc/36/69/32/1276366932.db2.gz WYAJVBKABWLLFR-RBSFLKMASA-N 1 3 332.366 2.868 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H](NC[C@H]2CCCC[NH2+]2)CC1 ZINC000817949052 1276396047 /nfs/dbraw/zinc/39/60/47/1276396047.db2.gz GUDFBCKOLLANRI-DLBZAZTESA-N 1 3 331.460 2.772 20 0 EFADHO N[C@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931401 1276405783 /nfs/dbraw/zinc/40/57/83/1276405783.db2.gz SAKOQUQGPULONX-KKUMJFAQSA-N 1 3 327.266 2.732 20 0 EFADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cn1cccn1 ZINC000817970067 1276413338 /nfs/dbraw/zinc/41/33/38/1276413338.db2.gz KOFWEQYVFGBFMF-BMGDILEWSA-N 1 3 328.460 2.861 20 0 EFADHO COCC1(CN[C@H](C)c2nc(Br)cs2)CC[NH2+]CC1 ZINC000817975587 1276415486 /nfs/dbraw/zinc/41/54/86/1276415486.db2.gz WTRQCGLUELJNOU-SNVBAGLBSA-N 1 3 348.310 2.572 20 0 EFADHO Cc1cc(F)ccc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000817972959 1276415637 /nfs/dbraw/zinc/41/56/37/1276415637.db2.gz QNBJQGVELDCBHU-WFASDCNBSA-N 1 3 333.373 2.621 20 0 EFADHO CC[C@H](NCCC[NH2+]C1CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000817984440 1276424096 /nfs/dbraw/zinc/42/40/96/1276424096.db2.gz SUEGLFOBQIQUJC-JKSUJKDBSA-N 1 3 325.497 2.896 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985649 1276424301 /nfs/dbraw/zinc/42/43/01/1276424301.db2.gz MOTARXVJKJYFAC-STQMWFEESA-N 1 3 336.867 2.716 20 0 EFADHO N[C@H](CCC[NH3+])Nc1cc(Br)cc(C2CCOCC2)c1 ZINC001170905726 1276525763 /nfs/dbraw/zinc/52/57/63/1276525763.db2.gz VHLGIXWYFPWRJX-HNNXBMFYSA-N 1 3 342.281 2.779 20 0 EFADHO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1Cn1cccn1 ZINC000818615001 1276539095 /nfs/dbraw/zinc/53/90/95/1276539095.db2.gz KHKFWPQOVJHRJD-ZTFGCOKTSA-N 1 3 328.460 2.861 20 0 EFADHO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)cc1Cn1cccn1 ZINC000818615000 1276539345 /nfs/dbraw/zinc/53/93/45/1276539345.db2.gz KHKFWPQOVJHRJD-BMGDILEWSA-N 1 3 328.460 2.861 20 0 EFADHO CON(C)C(=O)CCNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000818986009 1276563997 /nfs/dbraw/zinc/56/39/97/1276563997.db2.gz CPPAUCVSNOGHFR-UHFFFAOYSA-N 1 3 333.476 2.562 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971926 1276573362 /nfs/dbraw/zinc/57/33/62/1276573362.db2.gz CVKDFOMYJVVATE-LRDDRELGSA-N 1 3 344.377 2.693 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971926 1276573366 /nfs/dbraw/zinc/57/33/66/1276573366.db2.gz CVKDFOMYJVVATE-LRDDRELGSA-N 1 3 344.377 2.693 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971926 1276573372 /nfs/dbraw/zinc/57/33/72/1276573372.db2.gz CVKDFOMYJVVATE-LRDDRELGSA-N 1 3 344.377 2.693 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971924 1276574174 /nfs/dbraw/zinc/57/41/74/1276574174.db2.gz CVKDFOMYJVVATE-BLLLJJGKSA-N 1 3 344.377 2.693 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971924 1276574180 /nfs/dbraw/zinc/57/41/80/1276574180.db2.gz CVKDFOMYJVVATE-BLLLJJGKSA-N 1 3 344.377 2.693 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000818971924 1276574188 /nfs/dbraw/zinc/57/41/88/1276574188.db2.gz CVKDFOMYJVVATE-BLLLJJGKSA-N 1 3 344.377 2.693 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819151388 1276630489 /nfs/dbraw/zinc/63/04/89/1276630489.db2.gz BDZDNOWLUNSDIJ-KRWDZBQOSA-N 1 3 346.519 2.649 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819151388 1276630497 /nfs/dbraw/zinc/63/04/97/1276630497.db2.gz BDZDNOWLUNSDIJ-KRWDZBQOSA-N 1 3 346.519 2.649 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711335430 1276670787 /nfs/dbraw/zinc/67/07/87/1276670787.db2.gz AHEAXWADDPGMFI-QFUCXCTJSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001005989984 1277312387 /nfs/dbraw/zinc/31/23/87/1277312387.db2.gz BEMDFXFNUQYMLI-QGZVFWFLSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CCc3cccs3)CC2)C1 ZINC001005990340 1277314635 /nfs/dbraw/zinc/31/46/35/1277314635.db2.gz FAIWGFCYIUJJNS-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CCc3cccs3)CC2)C1 ZINC001005990342 1277315299 /nfs/dbraw/zinc/31/52/99/1277315299.db2.gz FAIWGFCYIUJJNS-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CNC(=O)c1ccc(CN[C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806732 1277315332 /nfs/dbraw/zinc/31/53/32/1277315332.db2.gz PSJXAHFOEZXTSZ-OAHLLOKOSA-N 1 3 325.456 2.959 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001005995930 1277354399 /nfs/dbraw/zinc/35/43/99/1277354399.db2.gz AHOGBGDDRLISEJ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001005998080 1277358048 /nfs/dbraw/zinc/35/80/48/1277358048.db2.gz SOFSCSAPYAMGNR-HNNXBMFYSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N(C)C1CCN(Cc2ccsc2)CC1 ZINC001005998080 1277358058 /nfs/dbraw/zinc/35/80/58/1277358058.db2.gz SOFSCSAPYAMGNR-HNNXBMFYSA-N 1 3 335.517 2.655 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C[C@@H](C)CC(C)C)CC2)C1 ZINC001113248358 1277374425 /nfs/dbraw/zinc/37/44/25/1277374425.db2.gz XHBOTVWWXYBMLX-RBUKOAKNSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C[C@@H](C)CC(C)C)CC2)C1 ZINC001113248358 1277374436 /nfs/dbraw/zinc/37/44/36/1277374436.db2.gz XHBOTVWWXYBMLX-RBUKOAKNSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C[C@H](C)CC(C)C)CC2)C1 ZINC001113248359 1277374882 /nfs/dbraw/zinc/37/48/82/1277374882.db2.gz XHBOTVWWXYBMLX-RTBURBONSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(C[C@H](C)CC(C)C)CC2)C1 ZINC001113248359 1277374896 /nfs/dbraw/zinc/37/48/96/1277374896.db2.gz XHBOTVWWXYBMLX-RTBURBONSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005998729 1277380607 /nfs/dbraw/zinc/38/06/07/1277380607.db2.gz UNLPUIGFZCSYMV-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO O=C1O[C@@]2(CN1CN1CCC[C@H]1C1CCCCC1)C[NH+]1CCC2CC1 ZINC000790371228 1277509153 /nfs/dbraw/zinc/50/91/53/1277509153.db2.gz WLUJJRXTUHDZSF-AZUAARDMSA-N 1 3 347.503 2.905 20 0 EFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086587363 1277551908 /nfs/dbraw/zinc/55/19/08/1277551908.db2.gz QMZHFNIBKZWDBP-XUVXKRRUSA-N 1 3 343.515 2.853 20 0 EFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086587363 1277551913 /nfs/dbraw/zinc/55/19/13/1277551913.db2.gz QMZHFNIBKZWDBP-XUVXKRRUSA-N 1 3 343.515 2.853 20 0 EFADHO Oc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001144258337 1279318775 /nfs/dbraw/zinc/31/87/75/1279318775.db2.gz CGGLECYLQHRTJK-UHFFFAOYSA-N 1 3 327.428 2.868 20 0 EFADHO Oc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001144258337 1279318785 /nfs/dbraw/zinc/31/87/85/1279318785.db2.gz CGGLECYLQHRTJK-UHFFFAOYSA-N 1 3 327.428 2.868 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CCc2ccccc2)C1 ZINC001091026119 1279351163 /nfs/dbraw/zinc/35/11/63/1279351163.db2.gz IQEGLKRIGBMZTQ-MHJFOBGBSA-N 1 3 343.515 2.586 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091026093 1279351389 /nfs/dbraw/zinc/35/13/89/1279351389.db2.gz HRGRXXPYJCDBMM-CTWPCTMYSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091026201 1279351621 /nfs/dbraw/zinc/35/16/21/1279351621.db2.gz JZGGGPZVLSGQFM-OFLPRAFFSA-N 1 3 335.517 2.605 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091026200 1279352383 /nfs/dbraw/zinc/35/23/83/1279352383.db2.gz JZGGGPZVLSGQFM-JCYILVPMSA-N 1 3 335.517 2.605 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCCC2)C1 ZINC001091026115 1279352609 /nfs/dbraw/zinc/35/26/09/1279352609.db2.gz INSODFWZZIRIEQ-ACBHZAAOSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091026930 1279352886 /nfs/dbraw/zinc/35/28/86/1279352886.db2.gz SYMBFJPOIGEULC-KVZIAJEVSA-N 1 3 347.547 2.924 20 0 EFADHO CN1CCC[C@]2(CC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145441 1287346367 /nfs/dbraw/zinc/34/63/67/1287346367.db2.gz UHAMRKGJPOBTBK-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@]2(CC[N@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145441 1287346369 /nfs/dbraw/zinc/34/63/69/1287346369.db2.gz UHAMRKGJPOBTBK-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001091059041 1279483216 /nfs/dbraw/zinc/48/32/16/1279483216.db2.gz AHORRUWPRMCFHJ-KVZIAJEVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091059462 1279485121 /nfs/dbraw/zinc/48/51/21/1279485121.db2.gz PGDANXDDHKELPE-NKELODKYSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001091059643 1279485273 /nfs/dbraw/zinc/48/52/73/1279485273.db2.gz UDEKGMAOQAEFEO-UUKMXZOPSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175296470 1287377819 /nfs/dbraw/zinc/37/78/19/1287377819.db2.gz PPTKSAGJWIQDHK-HOTGVXAUSA-N 1 3 331.520 2.977 20 0 EFADHO COCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256203 1287380465 /nfs/dbraw/zinc/38/04/65/1287380465.db2.gz IWAIFFKZKQZEKR-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CCC[C@@H]1C ZINC001175256216 1287380826 /nfs/dbraw/zinc/38/08/26/1287380826.db2.gz JDRDNXPDOPHVHI-CVEARBPZSA-N 1 3 337.533 2.997 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN1CCC[C@@H]1C ZINC001175256881 1287381400 /nfs/dbraw/zinc/38/14/00/1287381400.db2.gz PULXJOMHSREPMZ-KBPBESRZSA-N 1 3 337.430 2.688 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)CN2CCC[C@@H]2C)c1 ZINC001175256901 1287381524 /nfs/dbraw/zinc/38/15/24/1287381524.db2.gz QFPKBVFIINIIHW-ROUUACIJSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175257168 1287381666 /nfs/dbraw/zinc/38/16/66/1287381666.db2.gz VYWQMQRIOFOKDP-IAGOWNOFSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256800 1287381701 /nfs/dbraw/zinc/38/17/01/1287381701.db2.gz PAAKHILQYHRYLR-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175257169 1287383110 /nfs/dbraw/zinc/38/31/10/1287383110.db2.gz VYWQMQRIOFOKDP-IRXDYDNUSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263694 1287385114 /nfs/dbraw/zinc/38/51/14/1287385114.db2.gz QOCOWZDSHIMOHS-IAGOWNOFSA-N 1 3 349.494 2.932 20 0 EFADHO CC[C@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271806 1287387029 /nfs/dbraw/zinc/38/70/29/1287387029.db2.gz DPSHTKUQWPTMFZ-CVEARBPZSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845970409 1279948188 /nfs/dbraw/zinc/94/81/88/1279948188.db2.gz NBZWEZBMPMFIMX-CGZBRXJRSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001175271366 1287387792 /nfs/dbraw/zinc/38/77/92/1287387792.db2.gz AIZUOAGMHNAFNZ-AJHXJQRKSA-N 1 3 329.916 2.735 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263181 1280067181 /nfs/dbraw/zinc/06/71/81/1280067181.db2.gz PTVXGVSIPYWHGK-LYTJHDFESA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263181 1280067188 /nfs/dbraw/zinc/06/71/88/1280067188.db2.gz PTVXGVSIPYWHGK-LYTJHDFESA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263180 1280067434 /nfs/dbraw/zinc/06/74/34/1280067434.db2.gz PTVXGVSIPYWHGK-LKWFFDHRSA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263180 1280067445 /nfs/dbraw/zinc/06/74/45/1280067445.db2.gz PTVXGVSIPYWHGK-LKWFFDHRSA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263179 1280067565 /nfs/dbraw/zinc/06/75/65/1280067565.db2.gz PTVXGVSIPYWHGK-IXUQTXMESA-N 1 3 333.520 2.652 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001114263179 1280067571 /nfs/dbraw/zinc/06/75/71/1280067571.db2.gz PTVXGVSIPYWHGK-IXUQTXMESA-N 1 3 333.520 2.652 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3CCC[C@@H](C)[C@H]3CC[NH3+])ccc12 ZINC000846227044 1280075860 /nfs/dbraw/zinc/07/58/60/1280075860.db2.gz YVFZVJZADNZDHO-RDTXWAMCSA-N 1 3 344.455 2.930 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001175317865 1287400374 /nfs/dbraw/zinc/40/03/74/1287400374.db2.gz SKGBUHFQMNSIEB-BEFAXECRSA-N 1 3 348.535 2.803 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1scnc1C)N(C)C ZINC001175317843 1287400406 /nfs/dbraw/zinc/40/04/06/1287400406.db2.gz RRHMSJJLTDXBIM-HIFRSBDPSA-N 1 3 340.537 2.556 20 0 EFADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1F ZINC001129416435 1280181599 /nfs/dbraw/zinc/18/15/99/1280181599.db2.gz HQVCGWAWPFHNQH-KXBFYZLASA-N 1 3 347.478 3.000 20 0 EFADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1F ZINC001129416435 1280181600 /nfs/dbraw/zinc/18/16/00/1280181600.db2.gz HQVCGWAWPFHNQH-KXBFYZLASA-N 1 3 347.478 3.000 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129417144 1280181687 /nfs/dbraw/zinc/18/16/87/1280181687.db2.gz LRHMFMUQCNYTSE-GOSISDBHSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129417144 1280181695 /nfs/dbraw/zinc/18/16/95/1280181695.db2.gz LRHMFMUQCNYTSE-GOSISDBHSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1cccc2ccccc21 ZINC001129454273 1280195415 /nfs/dbraw/zinc/19/54/15/1280195415.db2.gz IYHYFEZQBSKCMF-YWZLYKJASA-N 1 3 339.483 2.947 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001129430692 1280198458 /nfs/dbraw/zinc/19/84/58/1280198458.db2.gz VVHPPKXDMITVTK-QGZVFWFLSA-N 1 3 335.517 2.669 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC001129430692 1280198464 /nfs/dbraw/zinc/19/84/64/1280198464.db2.gz VVHPPKXDMITVTK-QGZVFWFLSA-N 1 3 335.517 2.669 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC001129443317 1280201652 /nfs/dbraw/zinc/20/16/52/1280201652.db2.gz ITLCBIHUSRWESR-LJQANCHMSA-N 1 3 329.488 2.500 20 0 EFADHO CN(CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1)C1CCC1 ZINC001129531672 1280233703 /nfs/dbraw/zinc/23/37/03/1280233703.db2.gz FJMWEPBEDIYCHQ-ONEGZZNKSA-N 1 3 335.879 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001129950304 1280378249 /nfs/dbraw/zinc/37/82/49/1280378249.db2.gz REEYZIQZKHMPGA-FQEVSTJZSA-N 1 3 341.499 2.674 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248345 1280439962 /nfs/dbraw/zinc/43/99/62/1280439962.db2.gz SWHGCWYOZRAQED-WMLDXEAASA-N 1 3 337.533 2.853 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248642 1280443066 /nfs/dbraw/zinc/44/30/66/1280443066.db2.gz WWAQORZDGAEXAA-YLJYHZDGSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248640 1280443249 /nfs/dbraw/zinc/44/32/49/1280443249.db2.gz WWAQORZDGAEXAA-PXNSSMCTSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248641 1280443338 /nfs/dbraw/zinc/44/33/38/1280443338.db2.gz WWAQORZDGAEXAA-XLIONFOSSA-N 1 3 345.531 2.834 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2CC([NH2+]CCC3CC3)C2)c1 ZINC001091376074 1280450208 /nfs/dbraw/zinc/45/02/08/1280450208.db2.gz JOTQFZPHPPBWCE-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001130198162 1280566086 /nfs/dbraw/zinc/56/60/86/1280566086.db2.gz YAUJVWXIQBLPFS-LJQANCHMSA-N 1 3 327.472 2.694 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000846958623 1280660266 /nfs/dbraw/zinc/66/02/66/1280660266.db2.gz DPICAVKVNMAJRE-GOSISDBHSA-N 1 3 344.503 2.545 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171260514 1280693085 /nfs/dbraw/zinc/69/30/85/1280693085.db2.gz JSEBJNDLZDPVQH-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000872138738 1287441754 /nfs/dbraw/zinc/44/17/54/1287441754.db2.gz YANGLVFMFZBHCC-VBKZILBWSA-N 1 3 348.487 2.590 20 0 EFADHO CCOCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583715 1280940462 /nfs/dbraw/zinc/94/04/62/1280940462.db2.gz OGPMVJYKRDCVJA-SJORKVTESA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001146590818 1280945783 /nfs/dbraw/zinc/94/57/83/1280945783.db2.gz BKSDFVJEGYEAIS-ZIAGYGMSSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001146590835 1280946357 /nfs/dbraw/zinc/94/63/57/1280946357.db2.gz BVKVKPMNXVCGHZ-CVEARBPZSA-N 1 3 337.483 2.869 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146595128 1280947166 /nfs/dbraw/zinc/94/71/66/1280947166.db2.gz XGXFKQJCIRCRSW-HZPDHXFCSA-N 1 3 337.483 2.847 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001146600399 1280949252 /nfs/dbraw/zinc/94/92/52/1280949252.db2.gz GUPRVTJJVKNCGN-HOTGVXAUSA-N 1 3 344.503 2.881 20 0 EFADHO Cc1cccc(OCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146600917 1280949866 /nfs/dbraw/zinc/94/98/66/1280949866.db2.gz JNMULOGVJQOFPX-ROUUACIJSA-N 1 3 349.519 2.587 20 0 EFADHO Cc1cc(CNCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cs1 ZINC001130622351 1281054757 /nfs/dbraw/zinc/05/47/57/1281054757.db2.gz FDASDLHCSHSRIT-UHFFFAOYSA-N 1 3 337.533 2.915 20 0 EFADHO Cc1cc(CNCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)cs1 ZINC001130622351 1281054765 /nfs/dbraw/zinc/05/47/65/1281054765.db2.gz FDASDLHCSHSRIT-UHFFFAOYSA-N 1 3 337.533 2.915 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000872203254 1287474509 /nfs/dbraw/zinc/47/45/09/1287474509.db2.gz ZPMXCKOORLWSAE-HRCADAONSA-N 1 3 341.293 2.945 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723519 1281246391 /nfs/dbraw/zinc/24/63/91/1281246391.db2.gz BQMDNSFEFLGSRU-HPFMTEOYSA-N 1 3 333.520 2.607 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723519 1281246398 /nfs/dbraw/zinc/24/63/98/1281246398.db2.gz BQMDNSFEFLGSRU-HPFMTEOYSA-N 1 3 333.520 2.607 20 0 EFADHO CCOC(=O)C1=C(Nc2ccc(F)c(CN3CCCC3)c2)CC[NH2+]C1 ZINC001170520176 1281255701 /nfs/dbraw/zinc/25/57/01/1281255701.db2.gz DAXGVZXJKINAQT-UHFFFAOYSA-N 1 3 347.434 2.644 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc(C)c1)C2 ZINC001147808798 1281274098 /nfs/dbraw/zinc/27/40/98/1281274098.db2.gz AZKSPRMRERWNAM-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(C)c1)C2 ZINC001147808798 1281274107 /nfs/dbraw/zinc/27/41/07/1281274107.db2.gz AZKSPRMRERWNAM-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001147826249 1281305005 /nfs/dbraw/zinc/30/50/05/1281305005.db2.gz SYDHBEAPUQHGKM-STQMWFEESA-N 1 3 343.924 2.728 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001147826246 1281305452 /nfs/dbraw/zinc/30/54/52/1281305452.db2.gz SYDHBEAPUQHGKM-CHWSQXEVSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001175571942 1287489009 /nfs/dbraw/zinc/48/90/09/1287489009.db2.gz GULCILAETVHZLS-DLBZAZTESA-N 1 3 329.504 2.874 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001175571944 1287489045 /nfs/dbraw/zinc/48/90/45/1287489045.db2.gz GULCILAETVHZLS-IRXDYDNUSA-N 1 3 329.504 2.874 20 0 EFADHO CCc1cncnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170525512 1281340799 /nfs/dbraw/zinc/34/07/99/1281340799.db2.gz QIFVYOUXVCAYHT-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO Cc1nccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528146 1281353053 /nfs/dbraw/zinc/35/30/53/1281353053.db2.gz IPBDJZBQJNBUHI-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672194 1281380552 /nfs/dbraw/zinc/38/05/52/1281380552.db2.gz JYYNBPNFQHQMNQ-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@]2(C)C1 ZINC001091672194 1281380565 /nfs/dbraw/zinc/38/05/65/1281380565.db2.gz JYYNBPNFQHQMNQ-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148276936 1281490768 /nfs/dbraw/zinc/49/07/68/1281490768.db2.gz AMOCDEMQWQBIMV-DUMMIQTOSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148276936 1281490772 /nfs/dbraw/zinc/49/07/72/1281490772.db2.gz AMOCDEMQWQBIMV-DUMMIQTOSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001148284810 1281493777 /nfs/dbraw/zinc/49/37/77/1281493777.db2.gz FLKSFYFOVJKQPL-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2 ZINC001148284810 1281493779 /nfs/dbraw/zinc/49/37/79/1281493779.db2.gz FLKSFYFOVJKQPL-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCCC(F)(F)F)C2)N(C)C ZINC001148291647 1281496612 /nfs/dbraw/zinc/49/66/12/1281496612.db2.gz AYIZXSSGRZMMEH-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCCC(F)(F)F)C2)N(C)C ZINC001148291647 1281496614 /nfs/dbraw/zinc/49/66/14/1281496614.db2.gz AYIZXSSGRZMMEH-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](NC[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000872252670 1287503231 /nfs/dbraw/zinc/50/32/31/1287503231.db2.gz VIWGBTMWJDVQEI-ACRUOGEOSA-N 1 3 342.483 2.581 20 0 EFADHO CC[C@H](NC[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000872252670 1287503236 /nfs/dbraw/zinc/50/32/36/1287503236.db2.gz VIWGBTMWJDVQEI-ACRUOGEOSA-N 1 3 342.483 2.581 20 0 EFADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315080 1281513335 /nfs/dbraw/zinc/51/33/35/1281513335.db2.gz AVKHSXCNPAKHCQ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315080 1281513342 /nfs/dbraw/zinc/51/33/42/1281513342.db2.gz AVKHSXCNPAKHCQ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001091716196 1281534594 /nfs/dbraw/zinc/53/45/94/1281534594.db2.gz NEDXKBPPMSSCTE-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001091716196 1281534600 /nfs/dbraw/zinc/53/46/00/1281534600.db2.gz NEDXKBPPMSSCTE-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001148457813 1281557771 /nfs/dbraw/zinc/55/77/71/1281557771.db2.gz BFXKNWYJLDWTJZ-UHFFFAOYSA-N 1 3 335.536 2.999 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148457813 1281557778 /nfs/dbraw/zinc/55/77/78/1281557778.db2.gz BFXKNWYJLDWTJZ-UHFFFAOYSA-N 1 3 335.536 2.999 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCc3ccccc31)C2 ZINC001148469729 1281563756 /nfs/dbraw/zinc/56/37/56/1281563756.db2.gz RWMXJQIWJUEIAD-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCc3ccccc31)C2 ZINC001148469729 1281563766 /nfs/dbraw/zinc/56/37/66/1281563766.db2.gz RWMXJQIWJUEIAD-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)cc1C)C2 ZINC001148469762 1281565656 /nfs/dbraw/zinc/56/56/56/1281565656.db2.gz UHMKAJDHVJEYJB-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)cc1C)C2 ZINC001148469762 1281565661 /nfs/dbraw/zinc/56/56/61/1281565661.db2.gz UHMKAJDHVJEYJB-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000872275366 1287516122 /nfs/dbraw/zinc/51/61/22/1287516122.db2.gz MDBCFLYGWHJPTM-ARFHVFGLSA-N 1 3 335.517 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2 ZINC001148652127 1281674480 /nfs/dbraw/zinc/67/44/80/1281674480.db2.gz VQTRGVNONJPHAZ-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2 ZINC001148652127 1281674489 /nfs/dbraw/zinc/67/44/89/1281674489.db2.gz VQTRGVNONJPHAZ-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCCC(F)(F)F)C2 ZINC001148651561 1281675960 /nfs/dbraw/zinc/67/59/60/1281675960.db2.gz JFTJVVXAYDFLAM-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCCC(F)(F)F)C2 ZINC001148651561 1281675971 /nfs/dbraw/zinc/67/59/71/1281675971.db2.gz JFTJVVXAYDFLAM-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148652206 1281676153 /nfs/dbraw/zinc/67/61/53/1281676153.db2.gz ZFRUWNIAZUJLCQ-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148652206 1281676162 /nfs/dbraw/zinc/67/61/62/1281676162.db2.gz ZFRUWNIAZUJLCQ-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148652198 1281676416 /nfs/dbraw/zinc/67/64/16/1281676416.db2.gz ZAPCCQCDIWTMTF-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148652198 1281676428 /nfs/dbraw/zinc/67/64/28/1281676428.db2.gz ZAPCCQCDIWTMTF-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737390 1281684321 /nfs/dbraw/zinc/68/43/21/1281684321.db2.gz FDYDVYMTTJBFNJ-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737390 1281684327 /nfs/dbraw/zinc/68/43/27/1281684327.db2.gz FDYDVYMTTJBFNJ-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740871 1281694107 /nfs/dbraw/zinc/69/41/07/1281694107.db2.gz NEKYDMGCVDXIEB-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740871 1281694114 /nfs/dbraw/zinc/69/41/14/1281694114.db2.gz NEKYDMGCVDXIEB-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838601 1281778363 /nfs/dbraw/zinc/77/83/63/1281778363.db2.gz BQWKITXHKGMZJB-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148838601 1281778374 /nfs/dbraw/zinc/77/83/74/1281778374.db2.gz BQWKITXHKGMZJB-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c(C)s1 ZINC001148844532 1281781516 /nfs/dbraw/zinc/78/15/16/1281781516.db2.gz PPYUWLCWCADWEQ-UHFFFAOYSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c(C)s1 ZINC001148844532 1281781524 /nfs/dbraw/zinc/78/15/24/1281781524.db2.gz PPYUWLCWCADWEQ-UHFFFAOYSA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148843296 1281781679 /nfs/dbraw/zinc/78/16/79/1281781679.db2.gz FJDZQWPGXMPWTN-INIZCTEOSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148843296 1281781687 /nfs/dbraw/zinc/78/16/87/1281781687.db2.gz FJDZQWPGXMPWTN-INIZCTEOSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CCC1CC1)CC2 ZINC001086907884 1281907796 /nfs/dbraw/zinc/90/77/96/1281907796.db2.gz GJNVIQBQMJMGHD-FUHWJXTLSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001170562855 1281928566 /nfs/dbraw/zinc/92/85/66/1281928566.db2.gz DXWONBHOMWPPOR-ZRNYENFQSA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001170562855 1281928571 /nfs/dbraw/zinc/92/85/71/1281928571.db2.gz DXWONBHOMWPPOR-ZRNYENFQSA-N 1 3 342.483 2.782 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CN1CCC(C)(C)C1)CC[NH+](CC1CC1)CC2 ZINC001086941499 1281970115 /nfs/dbraw/zinc/97/01/15/1281970115.db2.gz VRXPSSWKNHXPPA-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945491 1281979370 /nfs/dbraw/zinc/97/93/70/1281979370.db2.gz CMBKIILJCKURQB-CVEARBPZSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945494 1281980068 /nfs/dbraw/zinc/98/00/68/1281980068.db2.gz CMBKIILJCKURQB-JKSUJKDBSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001086928560 1281991426 /nfs/dbraw/zinc/99/14/26/1281991426.db2.gz HGZXZHWXYXLPBD-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001171359492 1282048681 /nfs/dbraw/zinc/04/86/81/1282048681.db2.gz RTQAXOZBACPDGH-HOCLYGCPSA-N 1 3 347.494 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001171359495 1282048896 /nfs/dbraw/zinc/04/88/96/1282048896.db2.gz RTQAXOZBACPDGH-ZBFHGGJFSA-N 1 3 347.494 2.883 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171368846 1282179105 /nfs/dbraw/zinc/17/91/05/1282179105.db2.gz SSWRLSQENLTOBA-HKUYNNGSSA-N 1 3 348.535 2.741 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091986174 1282283559 /nfs/dbraw/zinc/28/35/59/1282283559.db2.gz XZHXFDMQVGBILW-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001091986174 1282283567 /nfs/dbraw/zinc/28/35/67/1282283567.db2.gz XZHXFDMQVGBILW-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001092010390 1282333778 /nfs/dbraw/zinc/33/37/78/1282333778.db2.gz CZUDKCUFXLZQJL-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1 ZINC001092010390 1282333784 /nfs/dbraw/zinc/33/37/84/1282333784.db2.gz CZUDKCUFXLZQJL-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786437 1282338067 /nfs/dbraw/zinc/33/80/67/1282338067.db2.gz SEZDERSBMJBUPH-IBGZPJMESA-N 1 3 341.455 2.513 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014856 1282339368 /nfs/dbraw/zinc/33/93/68/1282339368.db2.gz GBNHAJJVKOHDMW-QKLQHJQFSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014856 1282339373 /nfs/dbraw/zinc/33/93/73/1282339373.db2.gz GBNHAJJVKOHDMW-QKLQHJQFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071351 1282368554 /nfs/dbraw/zinc/36/85/54/1282368554.db2.gz SBJPDRBILBPYCV-DYXWJJEUSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071351 1282368562 /nfs/dbraw/zinc/36/85/62/1282368562.db2.gz SBJPDRBILBPYCV-DYXWJJEUSA-N 1 3 347.547 2.996 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000809735572 1282412915 /nfs/dbraw/zinc/41/29/15/1282412915.db2.gz KWDYCOMGDHOZLL-RRFJBIMHSA-N 1 3 332.435 2.673 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736029 1282435593 /nfs/dbraw/zinc/43/55/93/1282435593.db2.gz ZHDYKBCEXHVJNO-SESVDKBCSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736029 1282435602 /nfs/dbraw/zinc/43/56/02/1282435602.db2.gz ZHDYKBCEXHVJNO-SESVDKBCSA-N 1 3 345.531 2.596 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCF)CC(C)(C)C ZINC001158480263 1282478992 /nfs/dbraw/zinc/47/89/92/1282478992.db2.gz KXZJTYVUTOBPKZ-MRXNPFEDSA-N 1 3 329.504 2.637 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF)CC(C)(C)C ZINC001158480263 1282478997 /nfs/dbraw/zinc/47/89/97/1282478997.db2.gz KXZJTYVUTOBPKZ-MRXNPFEDSA-N 1 3 329.504 2.637 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001092299789 1282547767 /nfs/dbraw/zinc/54/77/67/1282547767.db2.gz ITEAABIVQMLDOP-XLIONFOSSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001092299789 1282547783 /nfs/dbraw/zinc/54/77/83/1282547783.db2.gz ITEAABIVQMLDOP-XLIONFOSSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092300472 1282548055 /nfs/dbraw/zinc/54/80/55/1282548055.db2.gz WYAMDEKRKBCEBV-NQIIRXRSSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001092300472 1282548063 /nfs/dbraw/zinc/54/80/63/1282548063.db2.gz WYAMDEKRKBCEBV-NQIIRXRSSA-N 1 3 341.499 2.552 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001092302975 1282549614 /nfs/dbraw/zinc/54/96/14/1282549614.db2.gz LIYVBCQQFJVQAO-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001092302975 1282549622 /nfs/dbraw/zinc/54/96/22/1282549622.db2.gz LIYVBCQQFJVQAO-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO O[C@@H](CNc1cc[nH+]cc1)CN(Cc1ccccc1)Cc1ccccc1 ZINC001170596449 1282810953 /nfs/dbraw/zinc/81/09/53/1282810953.db2.gz VUBRNJVLQJUWLY-QFIPXVFZSA-N 1 3 347.462 2.979 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001092657972 1282913815 /nfs/dbraw/zinc/91/38/15/1282913815.db2.gz ATIXGBYXMIFROX-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001092657972 1282913826 /nfs/dbraw/zinc/91/38/26/1282913826.db2.gz ATIXGBYXMIFROX-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001092658262 1282914484 /nfs/dbraw/zinc/91/44/84/1282914484.db2.gz NLCIKKGOMWOIGJ-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001092658262 1282914494 /nfs/dbraw/zinc/91/44/94/1282914494.db2.gz NLCIKKGOMWOIGJ-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1C ZINC001092658133 1282915394 /nfs/dbraw/zinc/91/53/94/1282915394.db2.gz IJYSKJCBWGFJFL-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001092658133 1282915402 /nfs/dbraw/zinc/91/54/02/1282915402.db2.gz IJYSKJCBWGFJFL-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000810192871 1283026027 /nfs/dbraw/zinc/02/60/27/1283026027.db2.gz RDZNJRXGMUOPEI-NBMJBFSESA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000810192871 1283026036 /nfs/dbraw/zinc/02/60/36/1283026036.db2.gz RDZNJRXGMUOPEI-NBMJBFSESA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCCCF ZINC001132150658 1283046614 /nfs/dbraw/zinc/04/66/14/1283046614.db2.gz UWEOERKBWBPXEZ-IRXDYDNUSA-N 1 3 339.499 2.724 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CN1CCCF ZINC001132141208 1283066519 /nfs/dbraw/zinc/06/65/19/1283066519.db2.gz PNMULKQJSIWEGX-HZPDHXFCSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CN1CCCF ZINC001132141208 1283066527 /nfs/dbraw/zinc/06/65/27/1283066527.db2.gz PNMULKQJSIWEGX-HZPDHXFCSA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001093025065 1283166184 /nfs/dbraw/zinc/16/61/84/1283166184.db2.gz PNEVHDMPNUWVGD-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001093025065 1283166188 /nfs/dbraw/zinc/16/61/88/1283166188.db2.gz PNEVHDMPNUWVGD-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@H]2C)c1 ZINC001132265010 1283217199 /nfs/dbraw/zinc/21/71/99/1283217199.db2.gz GUMDBWOIRSTHKI-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@H]2C)cc1 ZINC001132266283 1283220771 /nfs/dbraw/zinc/22/07/71/1283220771.db2.gz WGNARCQHOOSFAD-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132270676 1283226846 /nfs/dbraw/zinc/22/68/46/1283226846.db2.gz VBXBLQNWVDUYHK-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001132286302 1283238805 /nfs/dbraw/zinc/23/88/05/1283238805.db2.gz HYSVHKBRTDJTQY-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2cc[nH]c2c1 ZINC001132277659 1283248704 /nfs/dbraw/zinc/24/87/04/1283248704.db2.gz IFADGZKWWZQBPM-YJBOKZPZSA-N 1 3 342.487 2.589 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2cc[nH]c2c1 ZINC001132277657 1283248764 /nfs/dbraw/zinc/24/87/64/1283248764.db2.gz IFADGZKWWZQBPM-MAUKXSAKSA-N 1 3 342.487 2.589 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735431 1283310840 /nfs/dbraw/zinc/31/08/40/1283310840.db2.gz JNXCLHRGMZRJOI-MSOLQXFVSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735431 1283310848 /nfs/dbraw/zinc/31/08/48/1283310848.db2.gz JNXCLHRGMZRJOI-MSOLQXFVSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735512 1283312900 /nfs/dbraw/zinc/31/29/00/1283312900.db2.gz LFXWQTOHQJLOJJ-IAGOWNOFSA-N 1 3 347.528 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3ccsc3)C2)CCC1 ZINC001036735512 1283312912 /nfs/dbraw/zinc/31/29/12/1283312912.db2.gz LFXWQTOHQJLOJJ-IAGOWNOFSA-N 1 3 347.528 2.655 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735812 1283314174 /nfs/dbraw/zinc/31/41/74/1283314174.db2.gz QMUYTNXKCOVWFL-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@H]21 ZINC001036735812 1283314191 /nfs/dbraw/zinc/31/41/91/1283314191.db2.gz QMUYTNXKCOVWFL-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737011 1283318415 /nfs/dbraw/zinc/31/84/15/1283318415.db2.gz KNDAGHQFRWWZEY-AEFFLSMTSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737011 1283318426 /nfs/dbraw/zinc/31/84/26/1283318426.db2.gz KNDAGHQFRWWZEY-AEFFLSMTSA-N 1 3 347.528 2.655 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093221808 1283511632 /nfs/dbraw/zinc/51/16/32/1283511632.db2.gz DPYZIUSKZSJWOY-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093221808 1283511642 /nfs/dbraw/zinc/51/16/42/1283511642.db2.gz DPYZIUSKZSJWOY-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224544 1283513518 /nfs/dbraw/zinc/51/35/18/1283513518.db2.gz AGPZLBODFYCGRQ-SOLBZPMBSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224544 1283513529 /nfs/dbraw/zinc/51/35/29/1283513529.db2.gz AGPZLBODFYCGRQ-SOLBZPMBSA-N 1 3 349.494 2.794 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001093225514 1283514626 /nfs/dbraw/zinc/51/46/26/1283514626.db2.gz MNKGYWLDGDJWIU-KBAYOESNSA-N 1 3 349.544 2.807 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001093225514 1283514633 /nfs/dbraw/zinc/51/46/33/1283514633.db2.gz MNKGYWLDGDJWIU-KBAYOESNSA-N 1 3 349.544 2.807 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001132411378 1283533495 /nfs/dbraw/zinc/53/34/95/1283533495.db2.gz ZABQNLWTNSQLDK-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001132411378 1283533500 /nfs/dbraw/zinc/53/35/00/1283533500.db2.gz ZABQNLWTNSQLDK-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433374 1283567564 /nfs/dbraw/zinc/56/75/64/1283567564.db2.gz NEQYSOKGHNXFOO-ZWKOTPCHSA-N 1 3 341.540 2.504 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132437950 1283580021 /nfs/dbraw/zinc/58/00/21/1283580021.db2.gz ZIFSWWLTLPEMLR-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093373061 1283814124 /nfs/dbraw/zinc/81/41/24/1283814124.db2.gz IRAQBPOOOQPAFI-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093373061 1283814131 /nfs/dbraw/zinc/81/41/31/1283814131.db2.gz IRAQBPOOOQPAFI-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377248 1283828524 /nfs/dbraw/zinc/82/85/24/1283828524.db2.gz HRVGKIAOCKJPOK-FXAWDEMLSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093377248 1283828533 /nfs/dbraw/zinc/82/85/33/1283828533.db2.gz HRVGKIAOCKJPOK-FXAWDEMLSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093376971 1283829754 /nfs/dbraw/zinc/82/97/54/1283829754.db2.gz DZYQGBUNDXAVGQ-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093376971 1283829761 /nfs/dbraw/zinc/82/97/61/1283829761.db2.gz DZYQGBUNDXAVGQ-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378776 1283834885 /nfs/dbraw/zinc/83/48/85/1283834885.db2.gz SXGKGNZXALOBNI-APWZRJJASA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378776 1283834895 /nfs/dbraw/zinc/83/48/95/1283834895.db2.gz SXGKGNZXALOBNI-APWZRJJASA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384346 1283860652 /nfs/dbraw/zinc/86/06/52/1283860652.db2.gz WUSYYFWXXCKRAC-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384346 1283860661 /nfs/dbraw/zinc/86/06/61/1283860661.db2.gz WUSYYFWXXCKRAC-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001036829325 1284168845 /nfs/dbraw/zinc/16/88/45/1284168845.db2.gz CMOINTIBPZRZFF-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001036829325 1284168850 /nfs/dbraw/zinc/16/88/50/1284168850.db2.gz CMOINTIBPZRZFF-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001036829652 1284170315 /nfs/dbraw/zinc/17/03/15/1284170315.db2.gz IZAFKBLQWAVDQQ-IEBWSBKVSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001036829652 1284170321 /nfs/dbraw/zinc/17/03/21/1284170321.db2.gz IZAFKBLQWAVDQQ-IEBWSBKVSA-N 1 3 342.487 2.766 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000715541038 1284233635 /nfs/dbraw/zinc/23/36/35/1284233635.db2.gz DZZXYMARIGBZST-BZUAXINKSA-N 1 3 341.293 2.945 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086694067 1284276280 /nfs/dbraw/zinc/27/62/80/1284276280.db2.gz AKLYBEJNCQFCPK-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CCCF ZINC001132823757 1284334062 /nfs/dbraw/zinc/33/40/62/1284334062.db2.gz LFRBVPNHUYCVTQ-DLBZAZTESA-N 1 3 341.515 2.685 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887106 1284421118 /nfs/dbraw/zinc/42/11/18/1284421118.db2.gz BFQYSJFRWRLVNE-PJHKVULZSA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887103 1284421229 /nfs/dbraw/zinc/42/12/29/1284421229.db2.gz BFQYSJFRWRLVNE-FDICQLOXSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888928 1284424458 /nfs/dbraw/zinc/42/44/58/1284424458.db2.gz SWHNHDFYDOVQAD-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1)N(C)C ZINC001093857669 1284571866 /nfs/dbraw/zinc/57/18/66/1284571866.db2.gz QWBCVLSLZKUHFX-KBAYOESNSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001094040997 1284728058 /nfs/dbraw/zinc/72/80/58/1284728058.db2.gz SLQTYJTUDZDKGR-WSTZPKSXSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001094040427 1284729165 /nfs/dbraw/zinc/72/91/65/1284729165.db2.gz IRQUTOJVWMGWFF-QWFCFKBJSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1 ZINC001094040985 1284729386 /nfs/dbraw/zinc/72/93/86/1284729386.db2.gz RVKAPWZZXGWYSK-WSTZPKSXSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CC4(CCC4)C3)[C@H](C)C2)C1 ZINC001094042353 1284730512 /nfs/dbraw/zinc/73/05/12/1284730512.db2.gz SAJONPVLEJJCBI-ZHALLVOQSA-N 1 3 347.547 2.593 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001094075009 1284759872 /nfs/dbraw/zinc/75/98/72/1284759872.db2.gz UVMLUTMAXNTCIT-JFIYKMOQSA-N 1 3 340.471 2.706 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120737 1284829990 /nfs/dbraw/zinc/82/99/90/1284829990.db2.gz ABTVXCZCGZDFJJ-QZTJIDSGSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120736 1284830559 /nfs/dbraw/zinc/83/05/59/1284830559.db2.gz ABTVXCZCGZDFJJ-MSOLQXFVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133122156 1284832394 /nfs/dbraw/zinc/83/23/94/1284832394.db2.gz OCYAJJCDNLSEBE-DLBZAZTESA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121659 1284832788 /nfs/dbraw/zinc/83/27/88/1284832788.db2.gz JZITXRWYDUXXJH-DLBZAZTESA-N 1 3 325.541 2.695 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122438 1284834517 /nfs/dbraw/zinc/83/45/17/1284834517.db2.gz QRWATOHUJMVUOJ-ROUUACIJSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001133135689 1284850265 /nfs/dbraw/zinc/85/02/65/1284850265.db2.gz VMPINEDNRHSLRE-DOTOQJQBSA-N 1 3 332.492 2.607 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133177857 1284935346 /nfs/dbraw/zinc/93/53/46/1284935346.db2.gz ITJFVMQBACITRO-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133178071 1284935982 /nfs/dbraw/zinc/93/59/82/1284935982.db2.gz KGKGIFHJRZGYMH-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133182991 1284946493 /nfs/dbraw/zinc/94/64/93/1284946493.db2.gz WRMKSFMOLDQZBO-QUCCMNQESA-N 1 3 345.531 2.645 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCF)C1 ZINC001133186184 1284952657 /nfs/dbraw/zinc/95/26/57/1284952657.db2.gz PMHICQUFKRHIHU-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001133186438 1284953462 /nfs/dbraw/zinc/95/34/62/1284953462.db2.gz VFLYWUMRLGVYKW-ZWKOTPCHSA-N 1 3 343.531 2.932 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194753 1284972959 /nfs/dbraw/zinc/97/29/59/1284972959.db2.gz KBXPGWXJEZEBFV-MOPGFXCFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133274024 1285113150 /nfs/dbraw/zinc/11/31/50/1285113150.db2.gz AICDOFAMZDGWCY-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274703 1285114343 /nfs/dbraw/zinc/11/43/43/1285114343.db2.gz MKGREMFVWWEWSB-ZWKOTPCHSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133274601 1285114938 /nfs/dbraw/zinc/11/49/38/1285114938.db2.gz KZTBNWDGPRDPSM-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133275389 1285115292 /nfs/dbraw/zinc/11/52/92/1285115292.db2.gz SKFXBXXMQBQRHE-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133275974 1285115509 /nfs/dbraw/zinc/11/55/09/1285115509.db2.gz YOQZCERTKPFTEW-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133275040 1285115938 /nfs/dbraw/zinc/11/59/38/1285115938.db2.gz OLNCWVKYQHDZSP-DLBZAZTESA-N 1 3 325.541 2.839 20 0 EFADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001133287343 1285127149 /nfs/dbraw/zinc/12/71/49/1285127149.db2.gz IIEBJGXQQIBSLW-LLVKDONJSA-N 1 3 332.275 2.712 20 0 EFADHO C[NH+](C)CCC(=O)NCCNCc1ccccc1Oc1ccccc1 ZINC001133291765 1285135589 /nfs/dbraw/zinc/13/55/89/1285135589.db2.gz ZDNOVOGLAWVNGO-UHFFFAOYSA-N 1 3 341.455 2.636 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133346729 1285208997 /nfs/dbraw/zinc/20/89/97/1285208997.db2.gz OLXINILLUHSXSJ-PKOBYXMFSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133346574 1285220170 /nfs/dbraw/zinc/22/01/70/1285220170.db2.gz MYUFCEXNJCWSRW-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133345600 1285228004 /nfs/dbraw/zinc/22/80/04/1285228004.db2.gz FGIDTNPPJHTGFW-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133347383 1285234599 /nfs/dbraw/zinc/23/45/99/1285234599.db2.gz WVZHQEFJAZCVQF-MJGOQNOKSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]2C)cc1 ZINC001133347547 1285236256 /nfs/dbraw/zinc/23/62/56/1285236256.db2.gz XPCVIQSDWWURGN-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001133415767 1285378705 /nfs/dbraw/zinc/37/87/05/1285378705.db2.gz NMGPEBXAGIBJIF-LJQANCHMSA-N 1 3 327.472 2.632 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001133419878 1285382620 /nfs/dbraw/zinc/38/26/20/1285382620.db2.gz YGCKQQULYFXPSG-KEGWNNHHSA-N 1 3 337.895 2.645 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001133419751 1285382808 /nfs/dbraw/zinc/38/28/08/1285382808.db2.gz XBDXWMVHGLVYRL-DNVCBOLYSA-N 1 3 331.504 2.528 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCF)C2)c1 ZINC001036902868 1285383760 /nfs/dbraw/zinc/38/37/60/1285383760.db2.gz RDIXMLWCOLPQSE-OALUTQOASA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCF)C2)c1 ZINC001036902868 1285383772 /nfs/dbraw/zinc/38/37/72/1285383772.db2.gz RDIXMLWCOLPQSE-OALUTQOASA-N 1 3 347.478 2.644 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001171508330 1285617119 /nfs/dbraw/zinc/61/71/19/1285617119.db2.gz CJHIHKBSZOCYLR-XJKSGUPXSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001171509782 1285618032 /nfs/dbraw/zinc/61/80/32/1285618032.db2.gz UXCPLHPNVODBGY-PKOBYXMFSA-N 1 3 349.519 2.670 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001171510127 1285619340 /nfs/dbraw/zinc/61/93/40/1285619340.db2.gz YPBQFSKQVSVACA-VQIMIIECSA-N 1 3 349.519 2.800 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cncc(C)c1 ZINC001171586348 1285637958 /nfs/dbraw/zinc/63/79/58/1285637958.db2.gz MHTJPBWRRSEFAZ-KRWDZBQOSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1C ZINC001171587163 1285639167 /nfs/dbraw/zinc/63/91/67/1285639167.db2.gz ZFFNSWZCHZEKEI-INIZCTEOSA-N 1 3 348.535 2.885 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593148 1285639438 /nfs/dbraw/zinc/63/94/38/1285639438.db2.gz KAVYHZMXWOMOJX-KFWWJZLASA-N 1 3 327.513 2.985 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1(C)C ZINC001171626108 1285689656 /nfs/dbraw/zinc/68/96/56/1285689656.db2.gz VZGOVEZQKYZUSC-GFCCVEGCSA-N 1 3 349.441 2.781 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1(C)C ZINC001171626108 1285689667 /nfs/dbraw/zinc/68/96/67/1285689667.db2.gz VZGOVEZQKYZUSC-GFCCVEGCSA-N 1 3 349.441 2.781 20 0 EFADHO C[NH+]1C(C)(C)CC(NCC2(c3cnccn3)CCOCC2)CC1(C)C ZINC001171626813 1285691704 /nfs/dbraw/zinc/69/17/04/1285691704.db2.gz BWSXGUMBCBUETM-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@H](Oc3cnccn3)C2)CC1(C)C ZINC001171640335 1285719241 /nfs/dbraw/zinc/71/92/41/1285719241.db2.gz CZLVBVSZJQCZNR-INIZCTEOSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@H](Oc3cnccn3)C2)CC1(C)C ZINC001171640335 1285719247 /nfs/dbraw/zinc/71/92/47/1285719247.db2.gz CZLVBVSZJQCZNR-INIZCTEOSA-N 1 3 332.492 2.971 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCc3ccc(CN)nc32)C[N@@H+]1Cc1ccccc1 ZINC001171733653 1285742339 /nfs/dbraw/zinc/74/23/39/1285742339.db2.gz XIJCUHFVPNIUJZ-OXQOHEQNSA-N 1 3 336.483 2.956 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCc3ccc(CN)nc32)C[N@H+]1Cc1ccccc1 ZINC001171733653 1285742345 /nfs/dbraw/zinc/74/23/45/1285742345.db2.gz XIJCUHFVPNIUJZ-OXQOHEQNSA-N 1 3 336.483 2.956 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001171731946 1285748434 /nfs/dbraw/zinc/74/84/34/1285748434.db2.gz SFSVKJQCRNQGFG-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCN[C@H](C)c1c(F)cccc1F ZINC001171731946 1285748436 /nfs/dbraw/zinc/74/84/36/1285748436.db2.gz SFSVKJQCRNQGFG-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001171762964 1285769302 /nfs/dbraw/zinc/76/93/02/1285769302.db2.gz ODSHXAMGSUGATP-KRWDZBQOSA-N 1 3 337.895 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC001171763146 1285769736 /nfs/dbraw/zinc/76/97/36/1285769736.db2.gz SMZYXEVLWXGBMT-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cc(C(C)C)ccc1OC ZINC001171763302 1285770533 /nfs/dbraw/zinc/77/05/33/1285770533.db2.gz YISHOCUUNYTFDP-UHFFFAOYSA-N 1 3 349.519 2.756 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001171763309 1285770663 /nfs/dbraw/zinc/77/06/63/1285770663.db2.gz YMXDXDRJELIOHX-CQSZACIVSA-N 1 3 325.884 2.839 20 0 EFADHO CC[C@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+](CC)CC ZINC001133684505 1285777008 /nfs/dbraw/zinc/77/70/08/1285777008.db2.gz IQDXPCWMKZKZGC-QGZVFWFLSA-N 1 3 331.460 2.759 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC001171770708 1285777163 /nfs/dbraw/zinc/77/71/63/1285777163.db2.gz ZALFNCNKMMZCRQ-KRWDZBQOSA-N 1 3 341.446 2.854 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccccc1OC(C)C)[NH+](CC)CC ZINC001133685357 1285779189 /nfs/dbraw/zinc/77/91/89/1285779189.db2.gz UOJDXOPZCJDLQY-GOSISDBHSA-N 1 3 349.519 2.800 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871526 1285832343 /nfs/dbraw/zinc/83/23/43/1285832343.db2.gz OVJXBGACPJLLDT-RBUKOAKNSA-N 1 3 329.488 2.755 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838697 1285846187 /nfs/dbraw/zinc/84/61/87/1285846187.db2.gz ISWDSIDOPMIHKU-CABCVRRESA-N 1 3 325.497 2.835 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838697 1285846193 /nfs/dbraw/zinc/84/61/93/1285846193.db2.gz ISWDSIDOPMIHKU-CABCVRRESA-N 1 3 325.497 2.835 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CCC[NH3+])CC1 ZINC001171961239 1285917944 /nfs/dbraw/zinc/91/79/44/1285917944.db2.gz UBBOGQZGMMKOLP-AWEZNQCLSA-N 1 3 329.410 2.603 20 0 EFADHO C[C@H](CN)C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988983 1285944180 /nfs/dbraw/zinc/94/41/80/1285944180.db2.gz PFHOVVQHZJEHJG-GFCCVEGCSA-N 1 3 326.282 2.602 20 0 EFADHO [NH3+]C[C@@H]1CCCN1C1CCN(c2ccc(Br)cc2)CC1 ZINC001171994247 1285945979 /nfs/dbraw/zinc/94/59/79/1285945979.db2.gz ZQROTCADKCSQLN-INIZCTEOSA-N 1 3 338.293 2.841 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975066 1285957718 /nfs/dbraw/zinc/95/77/18/1285957718.db2.gz CBZZZBVLXXWXMD-DLBZAZTESA-N 1 3 329.488 2.544 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975066 1285957726 /nfs/dbraw/zinc/95/77/26/1285957726.db2.gz CBZZZBVLXXWXMD-DLBZAZTESA-N 1 3 329.488 2.544 20 0 EFADHO CN1C(=O)CC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974147 1285958516 /nfs/dbraw/zinc/95/85/16/1285958516.db2.gz ASQXRLRERBJEGP-ROUUACIJSA-N 1 3 329.488 2.640 20 0 EFADHO CN1C(=O)CC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974147 1285958524 /nfs/dbraw/zinc/95/85/24/1285958524.db2.gz ASQXRLRERBJEGP-ROUUACIJSA-N 1 3 329.488 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984372 1285964063 /nfs/dbraw/zinc/96/40/63/1285964063.db2.gz VFQVQPJZTIDRFR-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171984372 1285964075 /nfs/dbraw/zinc/96/40/75/1285964075.db2.gz VFQVQPJZTIDRFR-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001133819373 1285973519 /nfs/dbraw/zinc/97/35/19/1285973519.db2.gz AFXQAQNQYNAINQ-DYVFJYSZSA-N 1 3 335.879 2.517 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001133819416 1285974463 /nfs/dbraw/zinc/97/44/63/1285974463.db2.gz BKZCQWXOBQSACY-CQSZACIVSA-N 1 3 331.485 2.591 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001133819442 1285974547 /nfs/dbraw/zinc/97/45/47/1285974547.db2.gz CAZLPRIHBGDLHY-CXAGYDPISA-N 1 3 335.879 2.517 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001133819922 1285975585 /nfs/dbraw/zinc/97/55/85/1285975585.db2.gz RTFJNTFMTXRIEX-FIMWJMCYSA-N 1 3 335.879 2.543 20 0 EFADHO CCN1CC[C@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1=O ZINC001172031867 1285979931 /nfs/dbraw/zinc/97/99/31/1285979931.db2.gz RRURXAXROPCRCW-KRWDZBQOSA-N 1 3 349.906 2.687 20 0 EFADHO COCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172072741 1285992931 /nfs/dbraw/zinc/99/29/31/1285992931.db2.gz MRYBZFGEUPJJKR-ACDBMABISA-N 1 3 332.488 2.825 20 0 EFADHO COCCOCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172072741 1285992936 /nfs/dbraw/zinc/99/29/36/1285992936.db2.gz MRYBZFGEUPJJKR-ACDBMABISA-N 1 3 332.488 2.825 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC001133834161 1286002458 /nfs/dbraw/zinc/00/24/58/1286002458.db2.gz PTFNSJYAUUHMDV-CHWSQXEVSA-N 1 3 341.858 2.730 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCN4CC[C@H]4C2)C3)cc1 ZINC001172087770 1286002667 /nfs/dbraw/zinc/00/26/67/1286002667.db2.gz LQRASLIWKMMBOC-WOZUAGRISA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCN4CC[C@H]4C2)C3)cc1 ZINC001172087770 1286002673 /nfs/dbraw/zinc/00/26/73/1286002673.db2.gz LQRASLIWKMMBOC-WOZUAGRISA-N 1 3 325.500 2.962 20 0 EFADHO CN(C)C(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172061414 1286005518 /nfs/dbraw/zinc/00/55/18/1286005518.db2.gz GZLYWUWZVFWLAM-REPLKXPHSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)C(=O)CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172061414 1286005524 /nfs/dbraw/zinc/00/55/24/1286005524.db2.gz GZLYWUWZVFWLAM-REPLKXPHSA-N 1 3 329.488 2.640 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](NC[C@H]2COCCO2)C3)cc1 ZINC001172065495 1286007426 /nfs/dbraw/zinc/00/74/26/1286007426.db2.gz NHTYDPPDLVOVOJ-HAGHYFMRSA-N 1 3 330.472 2.577 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](NC[C@H]2COCCO2)C3)cc1 ZINC001172065495 1286007432 /nfs/dbraw/zinc/00/74/32/1286007432.db2.gz NHTYDPPDLVOVOJ-HAGHYFMRSA-N 1 3 330.472 2.577 20 0 EFADHO C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172129171 1286012560 /nfs/dbraw/zinc/01/25/60/1286012560.db2.gz XKFIFOKCFQVOKV-UUAJXVIYSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001172129171 1286012565 /nfs/dbraw/zinc/01/25/65/1286012565.db2.gz XKFIFOKCFQVOKV-UUAJXVIYSA-N 1 3 337.508 2.847 20 0 EFADHO CCc1cccc(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133850683 1286013050 /nfs/dbraw/zinc/01/30/50/1286013050.db2.gz PYLDXRROIJJOPG-HXUWFJFHSA-N 1 3 349.494 2.667 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001133850993 1286013146 /nfs/dbraw/zinc/01/31/46/1286013146.db2.gz UHBJFYACAPGHDD-ROFLEHJCSA-N 1 3 347.478 2.618 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172130077 1286014229 /nfs/dbraw/zinc/01/42/29/1286014229.db2.gz GYQHTLGZQSFMKI-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172130077 1286014233 /nfs/dbraw/zinc/01/42/33/1286014233.db2.gz GYQHTLGZQSFMKI-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO COc1ccnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132469 1286015885 /nfs/dbraw/zinc/01/58/85/1286015885.db2.gz LNIRMNVMVPMVTC-DFGXFYAUSA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132469 1286015887 /nfs/dbraw/zinc/01/58/87/1286015887.db2.gz LNIRMNVMVPMVTC-DFGXFYAUSA-N 1 3 331.460 2.559 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001172134759 1286016774 /nfs/dbraw/zinc/01/67/74/1286016774.db2.gz ZFBSILDZIXUNSS-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001172134759 1286016777 /nfs/dbraw/zinc/01/67/77/1286016777.db2.gz ZFBSILDZIXUNSS-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO COc1ccccc1N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172115399 1286025537 /nfs/dbraw/zinc/02/55/37/1286025537.db2.gz XAWDFQCGYQFIMZ-PIIMJCKOSA-N 1 3 329.488 2.833 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC(N4CCCC4)=NO3)CC1)C2 ZINC001172121937 1286030390 /nfs/dbraw/zinc/03/03/90/1286030390.db2.gz NNOBRGJCPIRTJN-PIIMJCKOSA-N 1 3 346.519 2.666 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001165718470 1312669956 /nfs/dbraw/zinc/66/99/56/1312669956.db2.gz KUMAJOYSXSSUNH-GOSISDBHSA-N 1 3 349.494 2.850 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133849686 1286030820 /nfs/dbraw/zinc/03/08/20/1286030820.db2.gz BVEFIJFCNYIGQL-UZLBHIALSA-N 1 3 349.494 2.974 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001133849769 1286030921 /nfs/dbraw/zinc/03/09/21/1286030921.db2.gz DDJKPVZVLWOQHN-STQMWFEESA-N 1 3 341.858 2.588 20 0 EFADHO CCc1ccc(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001133856480 1286030964 /nfs/dbraw/zinc/03/09/64/1286030964.db2.gz GRYFBWPQHQXEFZ-FQEVSTJZSA-N 1 3 349.494 2.667 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850142 1286031289 /nfs/dbraw/zinc/03/12/89/1286031289.db2.gz KBHQCZSGCXXDOP-FQEVSTJZSA-N 1 3 349.494 2.722 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001133856648 1286031409 /nfs/dbraw/zinc/03/14/09/1286031409.db2.gz MRTYLRUOXVWSKX-XLIONFOSSA-N 1 3 347.478 2.592 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172209690 1286052381 /nfs/dbraw/zinc/05/23/81/1286052381.db2.gz SBZFXSQEVZMURU-LJQANCHMSA-N 1 3 345.556 2.663 20 0 EFADHO CC(C)(C)c1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001133893979 1286071897 /nfs/dbraw/zinc/07/18/97/1286071897.db2.gz QMZAEZAREPPXNH-UHFFFAOYSA-N 1 3 345.531 2.922 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001133894194 1286071949 /nfs/dbraw/zinc/07/19/49/1286071949.db2.gz WXNLOAREZCIULT-KRWDZBQOSA-N 1 3 349.906 2.765 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001133896121 1286076252 /nfs/dbraw/zinc/07/62/52/1286076252.db2.gz CRZCZFUXZHVKQK-SFHVURJKSA-N 1 3 347.478 2.641 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001133896036 1286076276 /nfs/dbraw/zinc/07/62/76/1286076276.db2.gz BITJDJRBZSRCTM-UHFFFAOYSA-N 1 3 329.488 2.502 20 0 EFADHO COCCCN1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172244457 1286078166 /nfs/dbraw/zinc/07/81/66/1286078166.db2.gz QYCYTOBEEJVUMB-FQEVSTJZSA-N 1 3 345.531 2.599 20 0 EFADHO CCCCCCN1CCN(C2CC[NH+](CCCOC)CC2)CC1 ZINC001172255628 1286085768 /nfs/dbraw/zinc/08/57/68/1286085768.db2.gz YKADQXBGCKLYMW-UHFFFAOYSA-N 1 3 325.541 2.685 20 0 EFADHO CCCCN1CCC([N@H+](C)C2CCN(CCCOC)CC2)CC1 ZINC001172256875 1286086253 /nfs/dbraw/zinc/08/62/53/1286086253.db2.gz HOKUGGMWASHBCV-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO CCCCN1CCC([N@@H+](C)C2CCN(CCCOC)CC2)CC1 ZINC001172256875 1286086257 /nfs/dbraw/zinc/08/62/57/1286086257.db2.gz HOKUGGMWASHBCV-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC001133905592 1286087969 /nfs/dbraw/zinc/08/79/69/1286087969.db2.gz DQAWBLJHMXLVAZ-INIZCTEOSA-N 1 3 345.531 2.920 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133899287 1286098357 /nfs/dbraw/zinc/09/83/57/1286098357.db2.gz BBDRRHBJQRVRSW-UHFFFAOYSA-N 1 3 349.519 2.658 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)c(F)c1)CC(C)(C)C ZINC001133899837 1286099726 /nfs/dbraw/zinc/09/97/26/1286099726.db2.gz ZUVDDTPZEZDJMG-UHFFFAOYSA-N 1 3 343.874 2.663 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899627 1286100015 /nfs/dbraw/zinc/10/00/15/1286100015.db2.gz PHYPICNCTQSYIJ-UHFFFAOYSA-N 1 3 348.535 2.697 20 0 EFADHO C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H]1C ZINC001172377895 1286117850 /nfs/dbraw/zinc/11/78/50/1286117850.db2.gz ZOIUUVPMDJVDHC-ZHALLVOQSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H]1C ZINC001172377895 1286117854 /nfs/dbraw/zinc/11/78/54/1286117854.db2.gz ZOIUUVPMDJVDHC-ZHALLVOQSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H]1C ZINC001172377896 1286118276 /nfs/dbraw/zinc/11/82/76/1286118276.db2.gz ZOIUUVPMDJVDHC-ZIFCJYIRSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H]1C ZINC001172377896 1286118279 /nfs/dbraw/zinc/11/82/79/1286118279.db2.gz ZOIUUVPMDJVDHC-ZIFCJYIRSA-N 1 3 345.531 2.635 20 0 EFADHO CC[C@H](CC(C)C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001172404183 1286124768 /nfs/dbraw/zinc/12/47/68/1286124768.db2.gz YYOKWPKQFGYQRH-GOSISDBHSA-N 1 3 333.520 2.635 20 0 EFADHO CC[C@H](CC(C)C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001172404183 1286124771 /nfs/dbraw/zinc/12/47/71/1286124771.db2.gz YYOKWPKQFGYQRH-GOSISDBHSA-N 1 3 333.520 2.635 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCOC(C)C)C2 ZINC001172445284 1286151713 /nfs/dbraw/zinc/15/17/13/1286151713.db2.gz CHQVOYKCOJBQPK-YSIASYRMSA-N 1 3 338.536 2.870 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCOC(C)C)C2 ZINC001172445284 1286151723 /nfs/dbraw/zinc/15/17/23/1286151723.db2.gz CHQVOYKCOJBQPK-YSIASYRMSA-N 1 3 338.536 2.870 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524496 1286164270 /nfs/dbraw/zinc/16/42/70/1286164270.db2.gz YGKMBYJNDLDTTC-BTHPGYMESA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524496 1286164275 /nfs/dbraw/zinc/16/42/75/1286164275.db2.gz YGKMBYJNDLDTTC-BTHPGYMESA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21)N(C)C ZINC001133968245 1286173116 /nfs/dbraw/zinc/17/31/16/1286173116.db2.gz SNCWXBMCEUUSPH-KXBFYZLASA-N 1 3 327.472 2.947 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1)N(C)C ZINC001133967930 1286173405 /nfs/dbraw/zinc/17/34/05/1286173405.db2.gz IDDGBCJFOUKLPP-BEFAXECRSA-N 1 3 327.472 2.947 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCC1=O ZINC001172551935 1286176597 /nfs/dbraw/zinc/17/65/97/1286176597.db2.gz JJCOCSNIKCWXCP-UXHICEINSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)CCC1=O ZINC001172551935 1286176600 /nfs/dbraw/zinc/17/66/00/1286176600.db2.gz JJCOCSNIKCWXCP-UXHICEINSA-N 1 3 343.515 2.809 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001172601256 1286196802 /nfs/dbraw/zinc/19/68/02/1286196802.db2.gz FAOSBLQCCSMLSA-RBUKOAKNSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001172605044 1286199509 /nfs/dbraw/zinc/19/95/09/1286199509.db2.gz OCQRGMFCCZMUQY-RTBURBONSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001172607288 1286200454 /nfs/dbraw/zinc/20/04/54/1286200454.db2.gz XOUYBITYVTZTFT-ROUUACIJSA-N 1 3 345.487 2.615 20 0 EFADHO CN(C1CC1)C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172679947 1286244583 /nfs/dbraw/zinc/24/45/83/1286244583.db2.gz HYIKOAULCYEAQA-HXUWFJFHSA-N 1 3 341.499 2.736 20 0 EFADHO CN1CC[NH+](C2CCN([C@H]3Cc4ccc(Cl)cc4C3)CC2)CC1 ZINC001172718367 1286246547 /nfs/dbraw/zinc/24/65/47/1286246547.db2.gz KQVGAXSUTNMJRV-IBGZPJMESA-N 1 3 333.907 2.519 20 0 EFADHO COC(=O)N1CCC([N@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001172740171 1286251651 /nfs/dbraw/zinc/25/16/51/1286251651.db2.gz YBRIRXJZGTVDCA-UHFFFAOYSA-N 1 3 337.508 2.946 20 0 EFADHO COC(=O)N1CCC([N@@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001172740171 1286251663 /nfs/dbraw/zinc/25/16/63/1286251663.db2.gz YBRIRXJZGTVDCA-UHFFFAOYSA-N 1 3 337.508 2.946 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172806756 1286285979 /nfs/dbraw/zinc/28/59/79/1286285979.db2.gz WXMJZKOPSONBTH-IFFAKLHKSA-N 1 3 335.492 2.767 20 0 EFADHO CCCCN(C)CCC[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172882700 1286317146 /nfs/dbraw/zinc/31/71/46/1286317146.db2.gz JZOMGHPVEZLJKD-UHFFFAOYSA-N 1 3 341.540 2.504 20 0 EFADHO CO[C@H]1CCC[C@@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)C1 ZINC001172939356 1286344133 /nfs/dbraw/zinc/34/41/33/1286344133.db2.gz UKBUAMXNKSMJMF-MOPGFXCFSA-N 1 3 346.519 2.808 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001173000600 1286378412 /nfs/dbraw/zinc/37/84/12/1286378412.db2.gz QWYXNFXENWXNJO-OALUTQOASA-N 1 3 347.478 2.893 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@H]2CCCC3(CCCCC3)C2)CCC1=O ZINC001173343846 1286531345 /nfs/dbraw/zinc/53/13/45/1286531345.db2.gz OUGYWOWYIDEVQH-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@H]2CCCC3(CCCCC3)C2)CCC1=O ZINC001173343846 1286531349 /nfs/dbraw/zinc/53/13/49/1286531349.db2.gz OUGYWOWYIDEVQH-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCC([NH3+])(Cc3ccccn3)CC2)C1 ZINC001173633474 1286728218 /nfs/dbraw/zinc/72/82/18/1286728218.db2.gz LFEHGMVSLMVEAD-AEFFLSMTSA-N 1 3 345.487 2.539 20 0 EFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001095240898 1286732266 /nfs/dbraw/zinc/73/22/66/1286732266.db2.gz IOOAUESMJGVTAL-DNGJVBFASA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001095240898 1286732273 /nfs/dbraw/zinc/73/22/73/1286732273.db2.gz IOOAUESMJGVTAL-DNGJVBFASA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001095240898 1286732279 /nfs/dbraw/zinc/73/22/79/1286732279.db2.gz IOOAUESMJGVTAL-DNGJVBFASA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001095240898 1286732282 /nfs/dbraw/zinc/73/22/82/1286732282.db2.gz IOOAUESMJGVTAL-DNGJVBFASA-N 1 3 339.483 2.516 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173666007 1286743936 /nfs/dbraw/zinc/74/39/36/1286743936.db2.gz VHRPFNBXSABBNW-IAGOWNOFSA-N 1 3 331.460 2.634 20 0 EFADHO FC(F)(F)CN1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001173667828 1286745289 /nfs/dbraw/zinc/74/52/89/1286745289.db2.gz LVJSYUDFIVBGSG-UHFFFAOYSA-N 1 3 333.442 2.963 20 0 EFADHO c1nnn([C@@H]2CCC[C@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C2)n1 ZINC001173755604 1286778279 /nfs/dbraw/zinc/77/82/79/1286778279.db2.gz ZWMRFWAIWPEZNQ-YTQUADARSA-N 1 3 344.507 2.567 20 0 EFADHO c1nnn([C@@H]2CCC[C@@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C2)n1 ZINC001173755599 1286778345 /nfs/dbraw/zinc/77/83/45/1286778345.db2.gz ZWMRFWAIWPEZNQ-QXAKKESOSA-N 1 3 344.507 2.567 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173768879 1286782980 /nfs/dbraw/zinc/78/29/80/1286782980.db2.gz HHHWKTFKCXUMRB-RBUKOAKNSA-N 1 3 346.523 2.886 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173768879 1286782990 /nfs/dbraw/zinc/78/29/90/1286782990.db2.gz HHHWKTFKCXUMRB-RBUKOAKNSA-N 1 3 346.523 2.886 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173768881 1286784162 /nfs/dbraw/zinc/78/41/62/1286784162.db2.gz HHHWKTFKCXUMRB-RTBURBONSA-N 1 3 346.523 2.886 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173768881 1286784170 /nfs/dbraw/zinc/78/41/70/1286784170.db2.gz HHHWKTFKCXUMRB-RTBURBONSA-N 1 3 346.523 2.886 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583612 1286916558 /nfs/dbraw/zinc/91/65/58/1286916558.db2.gz MOWMMDBHAILWHS-MSOLQXFVSA-N 1 3 345.531 2.895 20 0 EFADHO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583504 1286916672 /nfs/dbraw/zinc/91/66/72/1286916672.db2.gz LWXWPQSXJOVUBT-CVEARBPZSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583078 1286917086 /nfs/dbraw/zinc/91/70/86/1286917086.db2.gz FJKOKPBKYNWENW-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583613 1286917174 /nfs/dbraw/zinc/91/71/74/1286917174.db2.gz MOWMMDBHAILWHS-QZTJIDSGSA-N 1 3 345.531 2.895 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583585 1286917439 /nfs/dbraw/zinc/91/74/39/1286917439.db2.gz MLOUYFBZOMHLLD-JKSUJKDBSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134583533 1286917637 /nfs/dbraw/zinc/91/76/37/1286917637.db2.gz MFHFDPRBURXOQF-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583615 1286917679 /nfs/dbraw/zinc/91/76/79/1286917679.db2.gz MOWMMDBHAILWHS-ZWKOTPCHSA-N 1 3 345.531 2.895 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134584560 1286918602 /nfs/dbraw/zinc/91/86/02/1286918602.db2.gz VDLYLWSFAPBEDE-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611716 1286947120 /nfs/dbraw/zinc/94/71/20/1286947120.db2.gz AOFLSINTONSEAH-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134612002 1286949839 /nfs/dbraw/zinc/94/98/39/1286949839.db2.gz GFHSARGYRASSDW-CVEARBPZSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]CC=C(Cl)Cl ZINC001134612094 1286950087 /nfs/dbraw/zinc/95/00/87/1286950087.db2.gz HSPKFFXLYLCMEZ-NEPJUHHUSA-N 1 3 336.307 2.663 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)CN(C)C1CCC1 ZINC001134612096 1286950488 /nfs/dbraw/zinc/95/04/88/1286950488.db2.gz HSPKFFXLYLCMEZ-RYUDHWBXSA-N 1 3 336.307 2.663 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001134607487 1286966882 /nfs/dbraw/zinc/96/68/82/1286966882.db2.gz IDEJIEPSOXVUKR-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134608094 1286968412 /nfs/dbraw/zinc/96/84/12/1286968412.db2.gz QNJROQHKNXEBTG-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)Cc2nc[nH]c2C)cc1 ZINC001174683218 1287111709 /nfs/dbraw/zinc/11/17/09/1287111709.db2.gz QOSAQVXXUPYCDL-UHFFFAOYSA-N 1 3 328.460 2.509 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001174683961 1287113416 /nfs/dbraw/zinc/11/34/16/1287113416.db2.gz XNFSKNHYQHXJIQ-RQOWECAXSA-N 1 3 346.862 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001174691021 1287115148 /nfs/dbraw/zinc/11/51/48/1287115148.db2.gz GNCLIARVVUHMGC-OAHLLOKOSA-N 1 3 328.460 2.735 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769193 1287119902 /nfs/dbraw/zinc/11/99/02/1287119902.db2.gz FNXPPCIIBGZYKI-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769796 1287152654 /nfs/dbraw/zinc/15/26/54/1287152654.db2.gz PFNHOSMCWXMHSF-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001134759460 1287155335 /nfs/dbraw/zinc/15/53/35/1287155335.db2.gz PGOYOHWWZQYXGJ-SCEWNMGZSA-N 1 3 329.488 2.669 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134759721 1287155475 /nfs/dbraw/zinc/15/54/75/1287155475.db2.gz ZFYRBPDOHOVAPY-IBGZPJMESA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001134763358 1287159153 /nfs/dbraw/zinc/15/91/53/1287159153.db2.gz VRSDQVQXLWRYKC-FQEVSTJZSA-N 1 3 345.531 2.978 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1cccc(F)c1 ZINC001134762538 1287159685 /nfs/dbraw/zinc/15/96/85/1287159685.db2.gz BBQAOTYUMVMYCC-LJQANCHMSA-N 1 3 349.494 2.727 20 0 EFADHO CCc1ccccc1CC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134765950 1287163638 /nfs/dbraw/zinc/16/36/38/1287163638.db2.gz AWQIDLWLMWGBDA-HXUWFJFHSA-N 1 3 345.531 2.760 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001134766812 1287163799 /nfs/dbraw/zinc/16/37/99/1287163799.db2.gz MUMRWQOFVNJQNL-OALUTQOASA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001134766813 1287164369 /nfs/dbraw/zinc/16/43/69/1287164369.db2.gz MUMRWQOFVNJQNL-RBUKOAKNSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001134769232 1287166593 /nfs/dbraw/zinc/16/65/93/1287166593.db2.gz IOHFSDKJEZXVQY-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001134769232 1287166597 /nfs/dbraw/zinc/16/65/97/1287166597.db2.gz IOHFSDKJEZXVQY-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC001134772393 1287169776 /nfs/dbraw/zinc/16/97/76/1287169776.db2.gz CTRAWKSETOPREQ-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1csc(C)n1 ZINC001134772393 1287169780 /nfs/dbraw/zinc/16/97/80/1287169780.db2.gz CTRAWKSETOPREQ-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001134772251 1287170204 /nfs/dbraw/zinc/17/02/04/1287170204.db2.gz AOINWZLTUPOIRN-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001134772356 1287170409 /nfs/dbraw/zinc/17/04/09/1287170409.db2.gz CILDTIRXGCPUFK-STQMWFEESA-N 1 3 333.467 2.635 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001134774369 1287171244 /nfs/dbraw/zinc/17/12/44/1287171244.db2.gz XUYZGXNSNJHEJB-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC001134773637 1287171457 /nfs/dbraw/zinc/17/14/57/1287171457.db2.gz PUTPWOOUNKNIJN-HOTGVXAUSA-N 1 3 349.519 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)nc1C ZINC001134773184 1287171710 /nfs/dbraw/zinc/17/17/10/1287171710.db2.gz NDSSNVJSUMDBCV-JKSUJKDBSA-N 1 3 348.535 2.802 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC001134774068 1287171952 /nfs/dbraw/zinc/17/19/52/1287171952.db2.gz URWDLBNOFMCQEY-DLBZAZTESA-N 1 3 333.520 2.832 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOCCC(C)C ZINC001134774421 1287172640 /nfs/dbraw/zinc/17/26/40/1287172640.db2.gz YFVBPHQOIUNMQX-IAGOWNOFSA-N 1 3 343.556 2.652 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114483638 1287196489 /nfs/dbraw/zinc/19/64/89/1287196489.db2.gz KILUKJHFUFIJCN-DZJNRPSUSA-N 1 3 329.488 2.524 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114483638 1287196492 /nfs/dbraw/zinc/19/64/92/1287196492.db2.gz KILUKJHFUFIJCN-DZJNRPSUSA-N 1 3 329.488 2.524 20 0 EFADHO CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N(C)CC)cc1 ZINC001114484114 1287197511 /nfs/dbraw/zinc/19/75/11/1287197511.db2.gz RSEYLJJPHIPSJD-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N(C)CC)cc1 ZINC001114484114 1287197512 /nfs/dbraw/zinc/19/75/12/1287197512.db2.gz RSEYLJJPHIPSJD-BWTSREIZSA-N 1 3 343.515 2.526 20 0 EFADHO C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2Cc3ccccc3CN2)c1 ZINC000871673325 1287201151 /nfs/dbraw/zinc/20/11/51/1287201151.db2.gz HKALPOBXFHJSFZ-IBGZPJMESA-N 1 3 338.455 2.584 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822851022 1289132513 /nfs/dbraw/zinc/13/25/13/1289132513.db2.gz BIBILNVJXRILRI-HNNXBMFYSA-N 1 3 348.362 2.920 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)c1ccccc1F ZINC001179435784 1289140191 /nfs/dbraw/zinc/14/01/91/1289140191.db2.gz XCWNKXDJJHJTHU-MPGHIAIKSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)CCC[NH+](C)C ZINC001179435521 1289140073 /nfs/dbraw/zinc/14/00/73/1289140073.db2.gz TUJCHFUWFJTKSF-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](C[C@H](C)NCc1nc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001135308182 1287924810 /nfs/dbraw/zinc/92/48/10/1287924810.db2.gz OZJLCTFJBRJNPM-LSDHHAIUSA-N 1 3 346.475 2.543 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176286941 1287925081 /nfs/dbraw/zinc/92/50/81/1287925081.db2.gz ZVVIXQYEOAXXOP-SFHVURJKSA-N 1 3 333.520 2.836 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001176258186 1287931998 /nfs/dbraw/zinc/93/19/98/1287931998.db2.gz RDAJYPAAUKNHIH-OAHLLOKOSA-N 1 3 340.537 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001176258186 1287932003 /nfs/dbraw/zinc/93/20/03/1287932003.db2.gz RDAJYPAAUKNHIH-OAHLLOKOSA-N 1 3 340.537 2.640 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176351022 1287961434 /nfs/dbraw/zinc/96/14/34/1287961434.db2.gz OSSUIAVHMOJIRC-INIZCTEOSA-N 1 3 342.487 2.768 20 0 EFADHO C[C@H](C[C@H](C)NCc1nsc2ccccc12)NC(=O)CC[NH+](C)C ZINC001135373213 1287980028 /nfs/dbraw/zinc/98/00/28/1287980028.db2.gz VNOJBLHCIOSTBB-UONOGXRCSA-N 1 3 348.516 2.621 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CCC(C)(C)C1 ZINC001135466828 1288031045 /nfs/dbraw/zinc/03/10/45/1288031045.db2.gz AMRAAODMFASSNI-HZPDHXFCSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1cncc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001135475745 1288046625 /nfs/dbraw/zinc/04/66/25/1288046625.db2.gz FZJJQYGGKDEWKY-IRXDYDNUSA-N 1 3 348.535 2.741 20 0 EFADHO C[C@H]1[C@@H](NCc2ccc(Cl)cc2F)CCN1C(=O)CC[NH+](C)C ZINC001179471829 1289153931 /nfs/dbraw/zinc/15/39/31/1289153931.db2.gz CTRXXIJOAZCGTL-LRDDRELGSA-N 1 3 341.858 2.510 20 0 EFADHO Cc1cnc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001176753585 1288118847 /nfs/dbraw/zinc/11/88/47/1288118847.db2.gz IJXQEKCDBUCWJM-AWEZNQCLSA-N 1 3 340.537 2.556 20 0 EFADHO Cc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)c(C)n1 ZINC001176754895 1288120014 /nfs/dbraw/zinc/12/00/14/1288120014.db2.gz ZZUAINRDKRBWNG-INIZCTEOSA-N 1 3 348.535 2.803 20 0 EFADHO Cc1csc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001176753736 1288120406 /nfs/dbraw/zinc/12/04/06/1288120406.db2.gz LXGSVWAKALTGHM-AWEZNQCLSA-N 1 3 340.537 2.556 20 0 EFADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760159 1288122456 /nfs/dbraw/zinc/12/24/56/1288122456.db2.gz QQQCTPQURBASNR-MSOLQXFVSA-N 1 3 341.540 2.552 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN(C)C(C)C)c1ccc(F)cc1F ZINC001176975884 1288202531 /nfs/dbraw/zinc/20/25/31/1288202531.db2.gz YXPTWTJPNDQVLH-QGZVFWFLSA-N 1 3 341.446 2.852 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001176986233 1288207678 /nfs/dbraw/zinc/20/76/78/1288207678.db2.gz IMELDGVWCNEALR-GOSISDBHSA-N 1 3 343.471 2.903 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001176986160 1288207828 /nfs/dbraw/zinc/20/78/28/1288207828.db2.gz GMCGQNHWENZHPO-QGZVFWFLSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(CF)cc1 ZINC001176986261 1288208329 /nfs/dbraw/zinc/20/83/29/1288208329.db2.gz IZOOZTPUPJSXFI-GOSISDBHSA-N 1 3 335.467 2.626 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001176986919 1288208519 /nfs/dbraw/zinc/20/85/19/1288208519.db2.gz YKHGPZRUKZFAAN-CQSZACIVSA-N 1 3 343.924 2.872 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C(C)C)n1 ZINC001176986815 1288208556 /nfs/dbraw/zinc/20/85/56/1288208556.db2.gz WRCWKZFSJDKUHB-LJQANCHMSA-N 1 3 346.519 2.675 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001176991730 1288216421 /nfs/dbraw/zinc/21/64/21/1288216421.db2.gz CTKKACDSJMFVHT-HZPDHXFCSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001176991729 1288216480 /nfs/dbraw/zinc/21/64/80/1288216480.db2.gz CTKKACDSJMFVHT-HOTGVXAUSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001176992015 1288216740 /nfs/dbraw/zinc/21/67/40/1288216740.db2.gz GZLXQNZKSMNVJB-GOSISDBHSA-N 1 3 335.536 2.927 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001176991793 1288216835 /nfs/dbraw/zinc/21/68/35/1288216835.db2.gz DUSVYFHBSAXJGN-LJQANCHMSA-N 1 3 331.504 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001176991788 1288216922 /nfs/dbraw/zinc/21/69/22/1288216922.db2.gz DRXZHIAFNWRHGN-IBGZPJMESA-N 1 3 331.504 2.774 20 0 EFADHO CCc1ccccc1CC[NH2+]CCCNC(=O)[C@@H]1CCCCN1CC ZINC001176992232 1288217960 /nfs/dbraw/zinc/21/79/60/1288217960.db2.gz KBVMHMLNXGRXHZ-FQEVSTJZSA-N 1 3 345.531 2.762 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOCC ZINC001135691221 1288268551 /nfs/dbraw/zinc/26/85/51/1288268551.db2.gz QHWHPOIIRZPJAK-ZWKOTPCHSA-N 1 3 343.556 2.798 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOCC ZINC001135691218 1288268600 /nfs/dbraw/zinc/26/86/00/1288268600.db2.gz QHWHPOIIRZPJAK-MSOLQXFVSA-N 1 3 343.556 2.798 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135706015 1288290594 /nfs/dbraw/zinc/29/05/94/1288290594.db2.gz NHQQTCCTVCBKNI-KBPBESRZSA-N 1 3 325.522 2.771 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135706662 1288290847 /nfs/dbraw/zinc/29/08/47/1288290847.db2.gz YVZAGEGBRAZNRQ-ZWKOTPCHSA-N 1 3 333.520 2.834 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135706222 1288291131 /nfs/dbraw/zinc/29/11/31/1288291131.db2.gz QMRXKQWWDQBKHT-ZWKOTPCHSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135743178 1288323120 /nfs/dbraw/zinc/32/31/20/1288323120.db2.gz GGDOWZMDBPPCCD-WOKGBUJHSA-N 1 3 331.504 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135743199 1288323503 /nfs/dbraw/zinc/32/35/03/1288323503.db2.gz GPTCPGBLYPFLEZ-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135743648 1288324294 /nfs/dbraw/zinc/32/42/94/1288324294.db2.gz NONBXOXIKIRQPV-NWDGAFQWSA-N 1 3 346.928 2.511 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135743520 1288324510 /nfs/dbraw/zinc/32/45/10/1288324510.db2.gz LRQBOXHPVRFRQE-HOTGVXAUSA-N 1 3 337.483 2.871 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135743974 1288324852 /nfs/dbraw/zinc/32/48/52/1288324852.db2.gz SNJBTKATZYNPAR-SJORKVTESA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135743837 1288325520 /nfs/dbraw/zinc/32/55/20/1288325520.db2.gz QIRWICSREUJRTO-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001135747013 1288328257 /nfs/dbraw/zinc/32/82/57/1288328257.db2.gz MJZOVZBVHGDJHM-HOTGVXAUSA-N 1 3 337.483 2.583 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135747459 1288328644 /nfs/dbraw/zinc/32/86/44/1288328644.db2.gz QLNMGUNYELVRDD-IRXDYDNUSA-N 1 3 349.519 2.718 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001135747017 1288328829 /nfs/dbraw/zinc/32/88/29/1288328829.db2.gz MJZOVZBVHGDJHM-HZPDHXFCSA-N 1 3 337.483 2.583 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206301249 1288392451 /nfs/dbraw/zinc/39/24/51/1288392451.db2.gz KQOXROIYQWBOSP-OAHLLOKOSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C1CC1)N(C)C ZINC001177340048 1288399337 /nfs/dbraw/zinc/39/93/37/1288399337.db2.gz YOMSWGYRIGIWJH-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CN1CC[C@H](C)C1 ZINC001177416139 1288424753 /nfs/dbraw/zinc/42/47/53/1288424753.db2.gz VOHOIRGZDGTQML-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO C[N@@H+]1CCC[C@H](CNCc2ccccc2-n2nnc3ccccc32)C1 ZINC001177794253 1288549802 /nfs/dbraw/zinc/54/98/02/1288549802.db2.gz AQWNOFXLWJCKMB-MRXNPFEDSA-N 1 3 335.455 2.852 20 0 EFADHO C[N@H+]1CCC[C@H](CNCc2ccccc2-n2nnc3ccccc32)C1 ZINC001177794253 1288549808 /nfs/dbraw/zinc/54/98/08/1288549808.db2.gz AQWNOFXLWJCKMB-MRXNPFEDSA-N 1 3 335.455 2.852 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001135883040 1288550168 /nfs/dbraw/zinc/55/01/68/1288550168.db2.gz XZVFMGQCSAXQBE-CABCVRRESA-N 1 3 346.475 2.543 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nc2ccccc2o1 ZINC001135883040 1288550170 /nfs/dbraw/zinc/55/01/70/1288550170.db2.gz XZVFMGQCSAXQBE-CABCVRRESA-N 1 3 346.475 2.543 20 0 EFADHO Cc1cc(Br)ncc1CN(C)CC1CC[NH+](C)CC1 ZINC001232319904 1312674878 /nfs/dbraw/zinc/67/48/78/1312674878.db2.gz NHZQUXKUCWOISB-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1ccc(C)cc1 ZINC001135979490 1288704155 /nfs/dbraw/zinc/70/41/55/1288704155.db2.gz GUXOJZLAQBOVGK-ROUUACIJSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001135980941 1288706184 /nfs/dbraw/zinc/70/61/84/1288706184.db2.gz VCOZQKURMRMSGI-ZWKOTPCHSA-N 1 3 349.519 2.670 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001135981056 1288706243 /nfs/dbraw/zinc/70/62/43/1288706243.db2.gz WXPJWPMFQVVKIP-HZPDHXFCSA-N 1 3 337.483 2.583 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]Cc2ccccc2)CCC1 ZINC001178688483 1288870521 /nfs/dbraw/zinc/87/05/21/1288870521.db2.gz KCCBXOMOSCPUAC-UHFFFAOYSA-N 1 3 331.504 2.937 20 0 EFADHO COc1ccc(Br)cc1CCN[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246158137 1288876906 /nfs/dbraw/zinc/87/69/06/1288876906.db2.gz GQQZJDJKMSUQMV-SMDDNHRTSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CC[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246158137 1288876911 /nfs/dbraw/zinc/87/69/11/1288876911.db2.gz GQQZJDJKMSUQMV-SMDDNHRTSA-N 1 3 327.266 2.730 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001178698895 1288876999 /nfs/dbraw/zinc/87/69/99/1288876999.db2.gz YQALNADPYUZKPD-INIZCTEOSA-N 1 3 345.478 2.638 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178701824 1288878109 /nfs/dbraw/zinc/87/81/09/1288878109.db2.gz FKSOPEPIBZDUBR-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CC(C)OCCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178754983 1288893789 /nfs/dbraw/zinc/89/37/89/1288893789.db2.gz HUAKCJBULYMXNC-SFHVURJKSA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001178816028 1288945885 /nfs/dbraw/zinc/94/58/85/1288945885.db2.gz RTTWLXRUZNXUBJ-GOSISDBHSA-N 1 3 337.483 2.932 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001178902203 1288974880 /nfs/dbraw/zinc/97/48/80/1288974880.db2.gz FNYXYSGHUHSHDG-PXNSSMCTSA-N 1 3 343.515 2.683 20 0 EFADHO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(F)cc3)cn2)CC1 ZINC001232360133 1312686415 /nfs/dbraw/zinc/68/64/15/1312686415.db2.gz BKYUUJKCDYTJKS-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(F)cc3)cn2)CC1 ZINC001232360133 1312686417 /nfs/dbraw/zinc/68/64/17/1312686417.db2.gz BKYUUJKCDYTJKS-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C/c3ccccc3)[C@@H]2C)C1 ZINC001179539158 1289183540 /nfs/dbraw/zinc/18/35/40/1289183540.db2.gz PZDDPSATEQGYPH-BARLJOQNSA-N 1 3 341.499 2.621 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC001179546323 1289185610 /nfs/dbraw/zinc/18/56/10/1289185610.db2.gz LGFABKARRFPESN-BZSNNMDCSA-N 1 3 337.552 2.980 20 0 EFADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)C1 ZINC001179593021 1289193334 /nfs/dbraw/zinc/19/33/34/1289193334.db2.gz UYMACPVNPXBAFQ-VQHVLOKHSA-N 1 3 329.916 2.737 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001179609706 1289197921 /nfs/dbraw/zinc/19/79/21/1289197921.db2.gz YJIFGEVCWQBWGK-ZDUSSCGKSA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCc1cccs1)N(C)C ZINC001179609712 1289198110 /nfs/dbraw/zinc/19/81/10/1289198110.db2.gz YNXSCCTXLHTOMS-KRWDZBQOSA-N 1 3 339.549 2.897 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617808 1289200184 /nfs/dbraw/zinc/20/01/84/1289200184.db2.gz RJEDHTZGKYYNEJ-WCZDVMJCSA-N 1 3 338.455 2.635 20 0 EFADHO CC(C)OCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580591 1289201037 /nfs/dbraw/zinc/20/10/37/1289201037.db2.gz JETDQLXUMCNILQ-SFHVURJKSA-N 1 3 341.540 2.552 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580727 1289201887 /nfs/dbraw/zinc/20/18/87/1289201887.db2.gz NRLABEUREACPBN-SFHVURJKSA-N 1 3 346.519 2.641 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@@H]3CCc4cccc(F)c4C3)CC2)CC1 ZINC001171010042 1289236575 /nfs/dbraw/zinc/23/65/75/1289236575.db2.gz KCSOKAFZYPZQOF-LJQANCHMSA-N 1 3 345.506 2.642 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001179745765 1289256730 /nfs/dbraw/zinc/25/67/30/1289256730.db2.gz GRFRNIXDUTZKIC-QGZVFWFLSA-N 1 3 329.504 2.875 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746198 1289257009 /nfs/dbraw/zinc/25/70/09/1289257009.db2.gz QMLDGTQDZIWVPJ-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1C ZINC001179764289 1289262225 /nfs/dbraw/zinc/26/22/25/1289262225.db2.gz YDRQZVZQAKTVKV-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+]C[C@H](C)OC ZINC001179838650 1289281645 /nfs/dbraw/zinc/28/16/45/1289281645.db2.gz IUCWZGBSCZADLJ-SFHVURJKSA-N 1 3 343.556 2.800 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@@H]1C ZINC001179982840 1289350008 /nfs/dbraw/zinc/35/00/08/1289350008.db2.gz DWZRVZBMODSWDU-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@@H]1C ZINC001179987454 1289354371 /nfs/dbraw/zinc/35/43/71/1289354371.db2.gz XJZDCWMXZLPGIG-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001179987489 1289354567 /nfs/dbraw/zinc/35/45/67/1289354567.db2.gz ZBDDLNUCHAQDMF-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]1C ZINC001179986973 1289354911 /nfs/dbraw/zinc/35/49/11/1289354911.db2.gz JNKYCFHEDNECMO-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]Cc1cccc(F)c1 ZINC001180157997 1289436977 /nfs/dbraw/zinc/43/69/77/1289436977.db2.gz BVBBHLCJTGODST-UHFFFAOYSA-N 1 3 346.450 2.866 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001180158696 1289437389 /nfs/dbraw/zinc/43/73/89/1289437389.db2.gz PPFRDJJJORPSJH-UHFFFAOYSA-N 1 3 342.487 2.770 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180159103 1289438685 /nfs/dbraw/zinc/43/86/85/1289438685.db2.gz YWJSWSWBZGTXCE-UHFFFAOYSA-N 1 3 334.489 2.789 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180201261 1289441752 /nfs/dbraw/zinc/44/17/52/1289441752.db2.gz POKMEUIIJCXNHT-LPHOPBHVSA-N 1 3 329.488 2.907 20 0 EFADHO C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204274 1289442385 /nfs/dbraw/zinc/44/23/85/1289442385.db2.gz MUAXIJDYZNDSEM-MPGHIAIKSA-N 1 3 335.467 2.689 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180223051 1289450098 /nfs/dbraw/zinc/45/00/98/1289450098.db2.gz YHPZABDLNQEIQU-HKUYNNGSSA-N 1 3 331.504 2.723 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC001180221632 1289450189 /nfs/dbraw/zinc/45/01/89/1289450189.db2.gz BQHZLXZCVOQSLI-JSGCOSHPSA-N 1 3 343.924 2.821 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@@H]1C ZINC001180226689 1289450906 /nfs/dbraw/zinc/45/09/06/1289450906.db2.gz GVWQLIHBHHZYCA-ZOCIIQOWSA-N 1 3 347.478 2.732 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180226686 1289451492 /nfs/dbraw/zinc/45/14/92/1289451492.db2.gz GVMPUAOEHALWFL-BXWFABGCSA-N 1 3 347.503 2.675 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl ZINC001180369682 1289515351 /nfs/dbraw/zinc/51/53/51/1289515351.db2.gz RYWMHKDQYMMFRE-UVTDQMKNSA-N 1 3 338.323 2.912 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001180369420 1289515931 /nfs/dbraw/zinc/51/59/31/1289515931.db2.gz FDLKRYFMBHWLDO-UHFFFAOYSA-N 1 3 337.483 2.932 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166010006 1312717256 /nfs/dbraw/zinc/71/72/56/1312717256.db2.gz DYOFKPAJTRZZRY-LJQANCHMSA-N 1 3 333.520 2.821 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001166004244 1312717358 /nfs/dbraw/zinc/71/73/58/1312717358.db2.gz HLKOMFKWYVPPAU-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001166004599 1312717371 /nfs/dbraw/zinc/71/73/71/1312717371.db2.gz TZYPRLAIWQHTGI-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001166010867 1312717666 /nfs/dbraw/zinc/71/76/66/1312717666.db2.gz SIVUYHPMUIOESG-RBUKOAKNSA-N 1 3 349.494 2.885 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001166010882 1312717712 /nfs/dbraw/zinc/71/77/12/1312717712.db2.gz TUFAXWWNJAHICD-SUMWQHHRSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001166010215 1312717774 /nfs/dbraw/zinc/71/77/74/1312717774.db2.gz LNINKORGPQINIX-RBUKOAKNSA-N 1 3 331.504 2.746 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166011160 1312718019 /nfs/dbraw/zinc/71/80/19/1312718019.db2.gz YOOAHGMJXLIMPO-LJQANCHMSA-N 1 3 333.520 2.610 20 0 EFADHO C[C@H](C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC001180583923 1289577044 /nfs/dbraw/zinc/57/70/44/1289577044.db2.gz HLRHCKDVUMNQFQ-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H](C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC001180584262 1289577383 /nfs/dbraw/zinc/57/73/83/1289577383.db2.gz DTZDQMWYUZFRES-HNNXBMFYSA-N 1 3 349.906 2.687 20 0 EFADHO OCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000873204761 1289641982 /nfs/dbraw/zinc/64/19/82/1289641982.db2.gz GMHRGFYDCWUYER-SFHVURJKSA-N 1 3 328.481 2.876 20 0 EFADHO c1c(CNc2ccc([C@@H]3CNCCO3)cc2)sc2c1C[NH2+]CC2 ZINC000873212753 1289645604 /nfs/dbraw/zinc/64/56/04/1289645604.db2.gz RESIVNLTJCPGMC-KRWDZBQOSA-N 1 3 329.469 2.667 20 0 EFADHO C[NH+]1CCC2(CCN(Cc3cccc(Br)c3N)C2)CC1 ZINC001232527361 1312724047 /nfs/dbraw/zinc/72/40/47/1312724047.db2.gz ZVHVBHYGOLISQZ-UHFFFAOYSA-N 1 3 338.293 2.949 20 0 EFADHO [NH3+][C@@H](C[C@H]1CCCN(Cc2cnc3cnccn23)C1)C1CCCC1 ZINC000873231971 1289667084 /nfs/dbraw/zinc/66/70/84/1289667084.db2.gz HUYBEFIJHYUMOH-QAPCUYQASA-N 1 3 327.476 2.849 20 0 EFADHO c1nn(-c2ccccc2)nc1CN[C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232823 1289668760 /nfs/dbraw/zinc/66/87/60/1289668760.db2.gz NVAKTMOAUKXATK-SFHVURJKSA-N 1 3 325.460 2.669 20 0 EFADHO NC(=O)c1csc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232846 1289669242 /nfs/dbraw/zinc/66/92/42/1289669242.db2.gz ZMKTWLPDNFYDPI-GUYCJALGSA-N 1 3 335.517 2.967 20 0 EFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000873246399 1289679559 /nfs/dbraw/zinc/67/95/59/1289679559.db2.gz VNKSEJSAPVUMTO-DFQSSKMNSA-N 1 3 345.531 2.644 20 0 EFADHO COC[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873294357 1289708245 /nfs/dbraw/zinc/70/82/45/1289708245.db2.gz VHZUVBZWIWMFHI-IAGOWNOFSA-N 1 3 338.879 2.776 20 0 EFADHO Fc1cc2c(c(F)c1F)[C@@H](NC[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873294405 1289708594 /nfs/dbraw/zinc/70/85/94/1289708594.db2.gz VSWAMZASEBHCMM-JSGCOSHPSA-N 1 3 340.389 2.840 20 0 EFADHO Fc1cc2c(c(F)c1F)[C@@H](NC[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873294408 1289708814 /nfs/dbraw/zinc/70/88/14/1289708814.db2.gz VSWAMZASEBHCMM-OCCSQVGLSA-N 1 3 340.389 2.840 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001181652633 1289886370 /nfs/dbraw/zinc/88/63/70/1289886370.db2.gz NROMFTGSBHCOOA-UNGYOBTISA-N 1 3 347.890 2.638 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754433 1289929587 /nfs/dbraw/zinc/92/95/87/1289929587.db2.gz AKUZWGGDTJSIOD-KPGJYBDRSA-N 1 3 335.536 2.757 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1)N(C)C ZINC001181884188 1289988212 /nfs/dbraw/zinc/98/82/12/1289988212.db2.gz CXZFJBPPJKFYSL-JFIYKMOQSA-N 1 3 329.504 2.541 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001181885034 1289990390 /nfs/dbraw/zinc/99/03/90/1289990390.db2.gz PRWLZKXNQDZGTJ-XFQXTVEOSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001181983093 1290021442 /nfs/dbraw/zinc/02/14/42/1290021442.db2.gz VLDBALXBQWRZEA-RBUKOAKNSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001181983093 1290021451 /nfs/dbraw/zinc/02/14/51/1290021451.db2.gz VLDBALXBQWRZEA-RBUKOAKNSA-N 1 3 329.488 2.670 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001182234293 1290116227 /nfs/dbraw/zinc/11/62/27/1290116227.db2.gz CVKDGHIGGPYZMP-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001182234293 1290116231 /nfs/dbraw/zinc/11/62/31/1290116231.db2.gz CVKDGHIGGPYZMP-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC001182318622 1290159129 /nfs/dbraw/zinc/15/91/29/1290159129.db2.gz SGXNYFOVSXTWTQ-LJQANCHMSA-N 1 3 341.499 2.514 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCN3CCC2CC3)C1 ZINC001182318622 1290159137 /nfs/dbraw/zinc/15/91/37/1290159137.db2.gz SGXNYFOVSXTWTQ-LJQANCHMSA-N 1 3 341.499 2.514 20 0 EFADHO CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001182517899 1290212615 /nfs/dbraw/zinc/21/26/15/1290212615.db2.gz ZPUGZOUVZBJFJJ-ZHALLVOQSA-N 1 3 325.541 2.837 20 0 EFADHO CC1CC(C[NH2+]C[C@]2(C)CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1 ZINC001182623305 1290226083 /nfs/dbraw/zinc/22/60/83/1290226083.db2.gz HARCELBRZNNKEL-ZTNRTKLDSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C2)C1 ZINC001182630490 1290229326 /nfs/dbraw/zinc/22/93/26/1290229326.db2.gz XUSZCIJPTLBMMS-YQVWRLOYSA-N 1 3 341.515 2.542 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001182637750 1290229962 /nfs/dbraw/zinc/22/99/62/1290229962.db2.gz OBGTYVATXJUFNW-JTDSTZFVSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001182637977 1290230038 /nfs/dbraw/zinc/23/00/38/1290230038.db2.gz UEHURVJJZYKZDG-IMFGXOCKSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001182750017 1290243355 /nfs/dbraw/zinc/24/33/55/1290243355.db2.gz GIRUCTYUMPMYED-JXXFODFXSA-N 1 3 340.471 2.788 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001183365311 1290333407 /nfs/dbraw/zinc/33/34/07/1290333407.db2.gz FHWPADOANBXPER-RTBURBONSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001183365311 1290333417 /nfs/dbraw/zinc/33/34/17/1290333417.db2.gz FHWPADOANBXPER-RTBURBONSA-N 1 3 345.531 2.990 20 0 EFADHO CC[C@@H](C(=O)NCCCNCc1cc(F)ccc1F)[NH+](CC)CC ZINC001166424362 1312774936 /nfs/dbraw/zinc/77/49/36/1312774936.db2.gz FHQWCJVXSXZEAV-KRWDZBQOSA-N 1 3 341.446 2.681 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000874841236 1290386267 /nfs/dbraw/zinc/38/62/67/1290386267.db2.gz AQFXOQBJFMLZQS-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841236 1290386278 /nfs/dbraw/zinc/38/62/78/1290386278.db2.gz AQFXOQBJFMLZQS-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841236 1290386288 /nfs/dbraw/zinc/38/62/88/1290386288.db2.gz AQFXOQBJFMLZQS-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO COc1cc(O)cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001232802027 1312782898 /nfs/dbraw/zinc/78/28/98/1312782898.db2.gz RBEXHYHYMRYEMA-UHFFFAOYSA-N 1 3 348.487 2.725 20 0 EFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1Cl ZINC000903506094 1312785687 /nfs/dbraw/zinc/78/56/87/1312785687.db2.gz OBNGSPJTJYQISU-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1Cl ZINC000903506094 1312785693 /nfs/dbraw/zinc/78/56/93/1312785693.db2.gz OBNGSPJTJYQISU-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1Cl ZINC000903506094 1312785697 /nfs/dbraw/zinc/78/56/97/1312785697.db2.gz OBNGSPJTJYQISU-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1Cl ZINC000903507313 1312787303 /nfs/dbraw/zinc/78/73/03/1312787303.db2.gz VWBUWODKVGHKKH-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1Cl ZINC000903507313 1312787307 /nfs/dbraw/zinc/78/73/07/1312787307.db2.gz VWBUWODKVGHKKH-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1Cl ZINC000903507313 1312787310 /nfs/dbraw/zinc/78/73/10/1312787310.db2.gz VWBUWODKVGHKKH-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO O[C@H](CN1CCCC1)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795575560 1290553088 /nfs/dbraw/zinc/55/30/88/1290553088.db2.gz WTUYRJMQHJWOQD-NVXWUHKLSA-N 1 3 340.920 2.963 20 0 EFADHO O[C@H](CN1CCCC1)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795575560 1290553101 /nfs/dbraw/zinc/55/31/01/1290553101.db2.gz WTUYRJMQHJWOQD-NVXWUHKLSA-N 1 3 340.920 2.963 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001185360796 1290651432 /nfs/dbraw/zinc/65/14/32/1290651432.db2.gz PSWGEJHOBQBREY-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001185549690 1290705490 /nfs/dbraw/zinc/70/54/90/1290705490.db2.gz RIQSBPBJUSCPCK-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001185550159 1290705582 /nfs/dbraw/zinc/70/55/82/1290705582.db2.gz STDFMWPYJOEEJM-NVXWUHKLSA-N 1 3 337.533 2.664 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185549724 1290705704 /nfs/dbraw/zinc/70/57/04/1290705704.db2.gz RTEORCBGDGLRKP-ROUUACIJSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1 ZINC001185551274 1290705739 /nfs/dbraw/zinc/70/57/39/1290705739.db2.gz YUJXCJFXPCTAEU-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)[C@@H](C)C1 ZINC001185546229 1290716804 /nfs/dbraw/zinc/71/68/04/1290716804.db2.gz BHYFMHKGRBLJGZ-IRXDYDNUSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001185706628 1290738804 /nfs/dbraw/zinc/73/88/04/1290738804.db2.gz QAVHGRPQBGHWHJ-FUHWJXTLSA-N 1 3 331.504 2.916 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001185698427 1290741211 /nfs/dbraw/zinc/74/12/11/1290741211.db2.gz MBKGWGOJTDKQTM-MBNRZODZSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001166626318 1312805813 /nfs/dbraw/zinc/80/58/13/1312805813.db2.gz DFTTXXYQOHNYLB-CQSZACIVSA-N 1 3 339.430 2.704 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001166626392 1312805850 /nfs/dbraw/zinc/80/58/50/1312805850.db2.gz FHYTYZDSMPBPRD-RDTXWAMCSA-N 1 3 349.906 2.908 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1C[NH2+]CCCF ZINC001185741289 1290755214 /nfs/dbraw/zinc/75/52/14/1290755214.db2.gz IOFWYWUTXWECOQ-VQIMIIECSA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185763642 1290758853 /nfs/dbraw/zinc/75/88/53/1290758853.db2.gz UFIOSFDXBSBRJW-IRXDYDNUSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001185752814 1290764335 /nfs/dbraw/zinc/76/43/35/1290764335.db2.gz UXIBOAXOSPDCMS-UYAOXDASSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633187 1312808422 /nfs/dbraw/zinc/80/84/22/1312808422.db2.gz BLJHONOKHJRLCB-KRWDZBQOSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1Cl ZINC001166633433 1312808453 /nfs/dbraw/zinc/80/84/53/1312808453.db2.gz FZVAQGYDQWDEFN-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001166627251 1312806805 /nfs/dbraw/zinc/80/68/05/1312806805.db2.gz TUVXCLRXAOIAJY-PKOBYXMFSA-N 1 3 343.515 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001166627378 1312806982 /nfs/dbraw/zinc/80/69/82/1312806982.db2.gz UMRJWPRRUODWPG-MRXNPFEDSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC001413059965 1312814089 /nfs/dbraw/zinc/81/40/89/1312814089.db2.gz OJMNTDHEZWNNMQ-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001166667555 1312815197 /nfs/dbraw/zinc/81/51/97/1312815197.db2.gz DFGHFDOQNDBGNR-OAHLLOKOSA-N 1 3 331.504 2.550 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001166677353 1312816984 /nfs/dbraw/zinc/81/69/84/1312816984.db2.gz HWSMFKQBCDOCEP-ICTCPBKTSA-N 1 3 349.906 2.791 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001166677733 1312817219 /nfs/dbraw/zinc/81/72/19/1312817219.db2.gz MDQUBUIEBMYAFE-APWZRJJASA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001166677355 1312817229 /nfs/dbraw/zinc/81/72/29/1312817229.db2.gz HWSMFKQBCDOCEP-WPTTZPOMSA-N 1 3 349.906 2.791 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001166678583 1312817612 /nfs/dbraw/zinc/81/76/12/1312817612.db2.gz WNPMLVQUOVNJPX-QGZVFWFLSA-N 1 3 331.504 2.577 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166678878 1312818179 /nfs/dbraw/zinc/81/81/79/1312818179.db2.gz XRBXKWJETYZLHS-CQSZACIVSA-N 1 3 337.895 2.586 20 0 EFADHO CCC(CC)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687524 1312820578 /nfs/dbraw/zinc/82/05/78/1312820578.db2.gz UTJHXEUDTDCSMK-GOSISDBHSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)CCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687061 1312820721 /nfs/dbraw/zinc/82/07/21/1312820721.db2.gz IFNWDZGREIINBC-GOSISDBHSA-N 1 3 329.504 2.731 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC001186411985 1290949791 /nfs/dbraw/zinc/94/97/91/1290949791.db2.gz GAEQVNDLLRDXOG-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001186488202 1290963166 /nfs/dbraw/zinc/96/31/66/1290963166.db2.gz NWVLRWVHTMEOLE-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001186486704 1290963279 /nfs/dbraw/zinc/96/32/79/1290963279.db2.gz CSMMYOOGVTXTKD-KDOFPFPSSA-N 1 3 349.906 2.860 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC([C@@H]2CCCN(CCF)CC2)CC1 ZINC001186598236 1290996725 /nfs/dbraw/zinc/99/67/25/1290996725.db2.gz RWALBNQVNZRMQQ-QGZVFWFLSA-N 1 3 341.515 2.638 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(CF)cc1)CC(C)(C)C ZINC001166744061 1312832460 /nfs/dbraw/zinc/83/24/60/1312832460.db2.gz GCOPNHOBFIFFAM-UHFFFAOYSA-N 1 3 337.483 2.730 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001166736421 1312831563 /nfs/dbraw/zinc/83/15/63/1312831563.db2.gz KRWRUIOARCNLHT-SFHVURJKSA-N 1 3 347.478 2.641 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166744037 1312832875 /nfs/dbraw/zinc/83/28/75/1312832875.db2.gz DRLIGDFBXNUKRP-UHFFFAOYSA-N 1 3 331.504 2.631 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC000877073390 1291125918 /nfs/dbraw/zinc/12/59/18/1291125918.db2.gz JMBISSVYKLUURP-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001187276906 1291134903 /nfs/dbraw/zinc/13/49/03/1291134903.db2.gz VTMHCVLLCPOIJL-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001187276906 1291134906 /nfs/dbraw/zinc/13/49/06/1291134906.db2.gz VTMHCVLLCPOIJL-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001187321952 1291143981 /nfs/dbraw/zinc/14/39/81/1291143981.db2.gz JJAHWAWJKWYLEO-RBUKOAKNSA-N 1 3 343.515 2.639 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001187322617 1291144012 /nfs/dbraw/zinc/14/40/12/1291144012.db2.gz PBIKYGGUBMTABO-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO CC(C)c1cccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)n1 ZINC001166759286 1312837549 /nfs/dbraw/zinc/83/75/49/1312837549.db2.gz PWLFRLZACQBGSE-UHFFFAOYSA-N 1 3 346.519 2.533 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21)CC(C)(C)C ZINC001166751480 1312834881 /nfs/dbraw/zinc/83/48/81/1312834881.db2.gz SPMUIUQZFVHWPN-GOSISDBHSA-N 1 3 349.494 2.887 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001166750650 1312835136 /nfs/dbraw/zinc/83/51/36/1312835136.db2.gz KESOQVYQXMOUCC-HNNXBMFYSA-N 1 3 337.483 2.961 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21)CC(C)(C)C ZINC001166751481 1312835389 /nfs/dbraw/zinc/83/53/89/1312835389.db2.gz SPMUIUQZFVHWPN-SFHVURJKSA-N 1 3 349.494 2.887 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166759296 1312837294 /nfs/dbraw/zinc/83/72/94/1312837294.db2.gz QITDRUXJEGLFON-UHFFFAOYSA-N 1 3 331.504 2.631 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)cc(C)c1F ZINC001273542193 1291184880 /nfs/dbraw/zinc/18/48/80/1291184880.db2.gz HRMDGYHPASSCSF-QZTJIDSGSA-N 1 3 347.478 2.569 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001166764438 1312838316 /nfs/dbraw/zinc/83/83/16/1312838316.db2.gz CVUPERUCIWYSMC-OAHLLOKOSA-N 1 3 345.478 2.640 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001166765285 1312838651 /nfs/dbraw/zinc/83/86/51/1312838651.db2.gz WCDQBHRFKXLFGC-OAHLLOKOSA-N 1 3 345.478 2.640 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3Cc4ccccc4CN3)cc21 ZINC000877339580 1291198722 /nfs/dbraw/zinc/19/87/22/1291198722.db2.gz COCNKFMKMMGVEA-UYAOXDASSA-N 1 3 349.478 2.510 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3Cc4ccccc4CN3)cc21 ZINC000877339577 1291199062 /nfs/dbraw/zinc/19/90/62/1291199062.db2.gz COCNKFMKMMGVEA-AZUAARDMSA-N 1 3 349.478 2.510 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857792 1291249949 /nfs/dbraw/zinc/24/99/49/1291249949.db2.gz RDSAOMHPQRNNSE-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857792 1291249952 /nfs/dbraw/zinc/24/99/52/1291249952.db2.gz RDSAOMHPQRNNSE-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000877533020 1291263664 /nfs/dbraw/zinc/26/36/64/1291263664.db2.gz YPSHSHJUKNEHNU-SJORKVTESA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)CC1 ZINC000877533020 1291263668 /nfs/dbraw/zinc/26/36/68/1291263668.db2.gz YPSHSHJUKNEHNU-SJORKVTESA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000877533016 1291263690 /nfs/dbraw/zinc/26/36/90/1291263690.db2.gz YPSHSHJUKNEHNU-IAGOWNOFSA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)CC1 ZINC000877533016 1291263693 /nfs/dbraw/zinc/26/36/93/1291263693.db2.gz YPSHSHJUKNEHNU-IAGOWNOFSA-N 1 3 337.508 2.661 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CCC(F)(F)F)C2)c1 ZINC001188085534 1291308731 /nfs/dbraw/zinc/30/87/31/1291308731.db2.gz OTPFWXRBFFRWEF-OAHLLOKOSA-N 1 3 343.393 2.505 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001188158179 1291334679 /nfs/dbraw/zinc/33/46/79/1291334679.db2.gz GBTSATDTUNPMKF-IEBWSBKVSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001166857727 1312854964 /nfs/dbraw/zinc/85/49/64/1312854964.db2.gz IJCKMEUQZIUJLS-SJORKVTESA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001166857375 1312855058 /nfs/dbraw/zinc/85/50/58/1312855058.db2.gz DQANMSBGUVYSFL-IRXDYDNUSA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001166865166 1312856377 /nfs/dbraw/zinc/85/63/77/1312856377.db2.gz BPCVILFSDJPUEZ-HNNXBMFYSA-N 1 3 345.409 2.642 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(Cc3ccc(CF)cc3)C[C@H]21 ZINC001188978962 1291554542 /nfs/dbraw/zinc/55/45/42/1291554542.db2.gz HWCHWXJJUQREFW-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001189391540 1291696764 /nfs/dbraw/zinc/69/67/64/1291696764.db2.gz ZKEHKBXWWBHROB-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001189391540 1291696766 /nfs/dbraw/zinc/69/67/66/1291696766.db2.gz ZKEHKBXWWBHROB-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517161 1291698528 /nfs/dbraw/zinc/69/85/28/1291698528.db2.gz KUGNTHSSLGLXGS-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2 ZINC000957517398 1291699090 /nfs/dbraw/zinc/69/90/90/1291699090.db2.gz QJRIGDGLFKHUFG-UOWSJYKBSA-N 1 3 339.911 2.538 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2)C1CC1 ZINC000957559435 1291765180 /nfs/dbraw/zinc/76/51/80/1291765180.db2.gz IWWUNHUKERKAFD-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)[C@H](CC)N(C)C)CC2)CC1 ZINC000957605997 1291860248 /nfs/dbraw/zinc/86/02/48/1291860248.db2.gz UIAJOTSUZFMQRF-IRXDYDNUSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605927 1291860408 /nfs/dbraw/zinc/86/04/08/1291860408.db2.gz QFPKTPDMTGVVLI-IBGZPJMESA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248894 1292040650 /nfs/dbraw/zinc/04/06/50/1292040650.db2.gz XVIYKMPYLCWITA-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248780 1292040733 /nfs/dbraw/zinc/04/07/33/1292040733.db2.gz UECYIAZQAWVXOO-ADKAHSJRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248054 1292041233 /nfs/dbraw/zinc/04/12/33/1292041233.db2.gz ZUUFHGWIEDVTGE-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+]1CCC2(CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)CC1 ZINC000879249263 1292043169 /nfs/dbraw/zinc/04/31/69/1292043169.db2.gz KGMJFOXTSWQWOY-IBGZPJMESA-N 1 3 341.499 2.814 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016651064 1312903654 /nfs/dbraw/zinc/90/36/54/1312903654.db2.gz DDMSDAIMYDDUMQ-MSOLQXFVSA-N 1 3 333.520 2.798 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016651751 1312903877 /nfs/dbraw/zinc/90/38/77/1312903877.db2.gz KFRMOJSKEJBNLB-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000957720785 1292130037 /nfs/dbraw/zinc/13/00/37/1292130037.db2.gz WUWBNDBUZQODPR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000957720785 1292130041 /nfs/dbraw/zinc/13/00/41/1292130041.db2.gz WUWBNDBUZQODPR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)CC2CC(C)C2)CC1)N(C)C ZINC000957726474 1292139479 /nfs/dbraw/zinc/13/94/79/1292139479.db2.gz UUGYFHCVAQKLOZ-NKELODKYSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)CC2CC(C)C2)CC1)N(C)C ZINC000957726474 1292139483 /nfs/dbraw/zinc/13/94/83/1292139483.db2.gz UUGYFHCVAQKLOZ-NKELODKYSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C[C@H](C)O1 ZINC000775380440 1292162062 /nfs/dbraw/zinc/16/20/62/1292162062.db2.gz IQDXGRVSBZQJIF-ALYAQQCSSA-N 1 3 344.590 2.845 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442904 1292162257 /nfs/dbraw/zinc/16/22/57/1292162257.db2.gz CEQLBJZDJMJEBE-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442904 1292162263 /nfs/dbraw/zinc/16/22/63/1292162263.db2.gz CEQLBJZDJMJEBE-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(OC)c(CN2CCCCC2)c1 ZINC000775381671 1292173426 /nfs/dbraw/zinc/17/34/26/1292173426.db2.gz LZYQKHQLTOHEMQ-INIZCTEOSA-N 1 3 347.503 2.858 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478542 1312907343 /nfs/dbraw/zinc/90/73/43/1312907343.db2.gz PLFNZUMMFZMAFD-QZTJIDSGSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478542 1312907347 /nfs/dbraw/zinc/90/73/47/1312907347.db2.gz PLFNZUMMFZMAFD-QZTJIDSGSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879594351 1292199970 /nfs/dbraw/zinc/19/99/70/1292199970.db2.gz GFRVXPZELJPOEF-UHFFFAOYSA-N 1 3 330.520 2.725 20 0 EFADHO COc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1CN1CCCCC1 ZINC000775398586 1292241608 /nfs/dbraw/zinc/24/16/08/1292241608.db2.gz AVMPOSBNWDKSKB-GJZGRUSLSA-N 1 3 333.476 2.596 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCCc3ccccc3)C2)CCC1 ZINC001190646385 1292263079 /nfs/dbraw/zinc/26/30/79/1292263079.db2.gz YBPJAPQXTYOKCS-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCCc3ccccc3)C2)CCC1 ZINC001190646385 1292263086 /nfs/dbraw/zinc/26/30/86/1292263086.db2.gz YBPJAPQXTYOKCS-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655549 1292268600 /nfs/dbraw/zinc/26/86/00/1292268600.db2.gz QDFWJXIIKSNIMR-CABCVRRESA-N 1 3 349.441 2.592 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655549 1292268605 /nfs/dbraw/zinc/26/86/05/1292268605.db2.gz QDFWJXIIKSNIMR-CABCVRRESA-N 1 3 349.441 2.592 20 0 EFADHO Nc1cccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233370786 1312914024 /nfs/dbraw/zinc/91/40/24/1312914024.db2.gz OKHBOXVBPUTXGC-UHFFFAOYSA-N 1 3 326.444 2.745 20 0 EFADHO Nc1cccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)n1 ZINC001233370786 1312914026 /nfs/dbraw/zinc/91/40/26/1312914026.db2.gz OKHBOXVBPUTXGC-UHFFFAOYSA-N 1 3 326.444 2.745 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001190789819 1292316411 /nfs/dbraw/zinc/31/64/11/1292316411.db2.gz SZZLASSWLXYMIQ-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001190789819 1292316419 /nfs/dbraw/zinc/31/64/19/1292316419.db2.gz SZZLASSWLXYMIQ-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001190900168 1292347392 /nfs/dbraw/zinc/34/73/92/1292347392.db2.gz OHDOGGDBDURLIH-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001190900168 1292347399 /nfs/dbraw/zinc/34/73/99/1292347399.db2.gz OHDOGGDBDURLIH-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001190890633 1292366499 /nfs/dbraw/zinc/36/64/99/1292366499.db2.gz VLXICUHXPWGVDP-MLQCUJFCSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001190890633 1292366510 /nfs/dbraw/zinc/36/65/10/1292366510.db2.gz VLXICUHXPWGVDP-MLQCUJFCSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001190890632 1292366781 /nfs/dbraw/zinc/36/67/81/1292366781.db2.gz VLXICUHXPWGVDP-IWZNPOATSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001190890632 1292366792 /nfs/dbraw/zinc/36/67/92/1292366792.db2.gz VLXICUHXPWGVDP-IWZNPOATSA-N 1 3 329.488 2.573 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)CC(C)(C)C ZINC001203425550 1312922038 /nfs/dbraw/zinc/92/20/38/1312922038.db2.gz CPMQLZXWLYHYKN-DLBZAZTESA-N 1 3 335.536 2.781 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001191029214 1292433375 /nfs/dbraw/zinc/43/33/75/1292433375.db2.gz HQSZTPGHOOIEEB-QGZVFWFLSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C)c(F)c2)C1 ZINC001191029214 1292433380 /nfs/dbraw/zinc/43/33/80/1292433380.db2.gz HQSZTPGHOOIEEB-QGZVFWFLSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21)[NH+](CC)CC ZINC001114828943 1292641970 /nfs/dbraw/zinc/64/19/70/1292641970.db2.gz NLWGIRTYMPDAAT-XDNAFOTISA-N 1 3 349.544 2.723 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203515188 1312943160 /nfs/dbraw/zinc/94/31/60/1312943160.db2.gz QMWHILDTCHPFRC-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203515306 1312943288 /nfs/dbraw/zinc/94/32/88/1312943288.db2.gz RVOOPRMZAIIIFV-MSOLQXFVSA-N 1 3 333.520 2.846 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203519966 1312943996 /nfs/dbraw/zinc/94/39/96/1312943996.db2.gz BZGRCHIDXXOAKU-MSOLQXFVSA-N 1 3 347.547 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203519967 1312944275 /nfs/dbraw/zinc/94/42/75/1312944275.db2.gz BZGRCHIDXXOAKU-QZTJIDSGSA-N 1 3 347.547 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203522750 1312945805 /nfs/dbraw/zinc/94/58/05/1312945805.db2.gz OCXJSPSNIRUJKQ-IRXDYDNUSA-N 1 3 349.544 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203524586 1312946133 /nfs/dbraw/zinc/94/61/33/1312946133.db2.gz XDQUELXIHDFZLQ-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998674 1292735206 /nfs/dbraw/zinc/73/52/06/1292735206.db2.gz PVLMSHLNHVPGSP-VQFGERMISA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccnc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)c1 ZINC001276322024 1292752615 /nfs/dbraw/zinc/75/26/15/1292752615.db2.gz YKYPQALLHNJFFB-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1ccnc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)c1 ZINC001276322024 1292752618 /nfs/dbraw/zinc/75/26/18/1292752618.db2.gz YKYPQALLHNJFFB-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133478 1292787967 /nfs/dbraw/zinc/78/79/67/1292787967.db2.gz BKKFWKYFLULISB-QKWWCAPFSA-N 1 3 341.499 2.574 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192343487 1292876071 /nfs/dbraw/zinc/87/60/71/1292876071.db2.gz PMINYICAIMUYGM-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192343487 1292876086 /nfs/dbraw/zinc/87/60/86/1292876086.db2.gz PMINYICAIMUYGM-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192343235 1292876545 /nfs/dbraw/zinc/87/65/45/1292876545.db2.gz NUEPATZSQQHTBM-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192343235 1292876560 /nfs/dbraw/zinc/87/65/60/1292876560.db2.gz NUEPATZSQQHTBM-WMZOPIPTSA-N 1 3 349.544 2.698 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001192385399 1292885541 /nfs/dbraw/zinc/88/55/41/1292885541.db2.gz HAACVFVYWLPDAD-CEAGRCCXSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001192385399 1292885556 /nfs/dbraw/zinc/88/55/56/1292885556.db2.gz HAACVFVYWLPDAD-CEAGRCCXSA-N 1 3 343.515 2.963 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1)CC(C)(C)C ZINC001192386516 1292886298 /nfs/dbraw/zinc/88/62/98/1292886298.db2.gz PSAIHLLPFAVCNW-LJQANCHMSA-N 1 3 345.531 2.740 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1)CC(C)(C)C ZINC001192386516 1292886307 /nfs/dbraw/zinc/88/63/07/1292886307.db2.gz PSAIHLLPFAVCNW-LJQANCHMSA-N 1 3 345.531 2.740 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576679 1312961042 /nfs/dbraw/zinc/96/10/42/1312961042.db2.gz HOGYSZVPKWUCIJ-STQMWFEESA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203576679 1312961044 /nfs/dbraw/zinc/96/10/44/1312961044.db2.gz HOGYSZVPKWUCIJ-STQMWFEESA-N 1 3 348.318 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001192948660 1293108646 /nfs/dbraw/zinc/10/86/46/1293108646.db2.gz UYRBDAOGCCQLLI-WMZOPIPTSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001192948660 1293108649 /nfs/dbraw/zinc/10/86/49/1293108649.db2.gz UYRBDAOGCCQLLI-WMZOPIPTSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203652111 1312981961 /nfs/dbraw/zinc/98/19/61/1312981961.db2.gz RSBSODSCLYFMPK-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001192969360 1293126053 /nfs/dbraw/zinc/12/60/53/1293126053.db2.gz IJPOJXAHIWSYJG-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001192969360 1293126055 /nfs/dbraw/zinc/12/60/55/1293126055.db2.gz IJPOJXAHIWSYJG-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001192970738 1293127524 /nfs/dbraw/zinc/12/75/24/1293127524.db2.gz YMZJIVNMBBUBIV-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001192970738 1293127530 /nfs/dbraw/zinc/12/75/30/1293127530.db2.gz YMZJIVNMBBUBIV-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001192969917 1293128124 /nfs/dbraw/zinc/12/81/24/1293128124.db2.gz NJNCMTHFEZMBJW-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001192969917 1293128127 /nfs/dbraw/zinc/12/81/27/1293128127.db2.gz NJNCMTHFEZMBJW-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C1 ZINC001192969544 1293128140 /nfs/dbraw/zinc/12/81/40/1293128140.db2.gz KONQMYWSXQZNQA-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C1 ZINC001192969544 1293128144 /nfs/dbraw/zinc/12/81/44/1293128144.db2.gz KONQMYWSXQZNQA-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001192969949 1293128180 /nfs/dbraw/zinc/12/81/80/1293128180.db2.gz OLHLIIIAKBNBRI-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001192969949 1293128185 /nfs/dbraw/zinc/12/81/85/1293128185.db2.gz OLHLIIIAKBNBRI-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028766 1293146330 /nfs/dbraw/zinc/14/63/30/1293146330.db2.gz WQUSZHVIAOTMSS-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028766 1293146333 /nfs/dbraw/zinc/14/63/33/1293146333.db2.gz WQUSZHVIAOTMSS-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203652086 1312982027 /nfs/dbraw/zinc/98/20/27/1312982027.db2.gz RJBLONHXWHJOLM-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203650257 1312980366 /nfs/dbraw/zinc/98/03/66/1312980366.db2.gz FUVPBTZTSWDGOX-HZPDHXFCSA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203649649 1312980629 /nfs/dbraw/zinc/98/06/29/1312980629.db2.gz CWRYFELTBAKXIH-ROUUACIJSA-N 1 3 347.547 2.926 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660654 1312983672 /nfs/dbraw/zinc/98/36/72/1312983672.db2.gz RCIRNLPOLNXCBU-UIZHIOIMSA-N 1 3 330.476 2.634 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193291982 1293238556 /nfs/dbraw/zinc/23/85/56/1293238556.db2.gz KTLYJPXVVPDFFU-UFUQCMIWSA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193291982 1293238560 /nfs/dbraw/zinc/23/85/60/1293238560.db2.gz KTLYJPXVVPDFFU-UFUQCMIWSA-N 1 3 329.488 2.574 20 0 EFADHO CC[N@H+](C)[C@H](C(=O)N1CC[C@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193423542 1293303177 /nfs/dbraw/zinc/30/31/77/1293303177.db2.gz BZDJUOJGZMUULU-UFBUJHCKSA-N 1 3 349.906 2.965 20 0 EFADHO CC[N@@H+](C)[C@H](C(=O)N1CC[C@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193423542 1293303182 /nfs/dbraw/zinc/30/31/82/1293303182.db2.gz BZDJUOJGZMUULU-UFBUJHCKSA-N 1 3 349.906 2.965 20 0 EFADHO Cc1cncc(Br)c1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205636622 1293341777 /nfs/dbraw/zinc/34/17/77/1293341777.db2.gz DVBDICCUAJDNFR-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ccc(CCC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001203709198 1312995481 /nfs/dbraw/zinc/99/54/81/1312995481.db2.gz ODBAPQCJMNRWRC-UHFFFAOYSA-N 1 3 343.515 2.604 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001203709082 1312995547 /nfs/dbraw/zinc/99/55/47/1312995547.db2.gz KAFOIUHMETWNNI-ONNFQVAWSA-N 1 3 341.499 2.766 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193642006 1293380989 /nfs/dbraw/zinc/38/09/89/1293380989.db2.gz KKLUQWVQZCZZSF-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193642006 1293380998 /nfs/dbraw/zinc/38/09/98/1293380998.db2.gz KKLUQWVQZCZZSF-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001193642458 1293381101 /nfs/dbraw/zinc/38/11/01/1293381101.db2.gz OSIXZQCKFGRPAO-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001193642458 1293381109 /nfs/dbraw/zinc/38/11/09/1293381109.db2.gz OSIXZQCKFGRPAO-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001193642054 1293381258 /nfs/dbraw/zinc/38/12/58/1293381258.db2.gz KXVZSHIVQPQAQR-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001193642054 1293381263 /nfs/dbraw/zinc/38/12/63/1293381263.db2.gz KXVZSHIVQPQAQR-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193642351 1293381719 /nfs/dbraw/zinc/38/17/19/1293381719.db2.gz MQPQZKAPVIOZKA-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193642351 1293381724 /nfs/dbraw/zinc/38/17/24/1293381724.db2.gz MQPQZKAPVIOZKA-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001193640991 1293382227 /nfs/dbraw/zinc/38/22/27/1293382227.db2.gz GWVFLEKZJLKELV-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001193640991 1293382234 /nfs/dbraw/zinc/38/22/34/1293382234.db2.gz GWVFLEKZJLKELV-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001193643680 1293384678 /nfs/dbraw/zinc/38/46/78/1293384678.db2.gz YSTTTZBXVQOFFT-GOSISDBHSA-N 1 3 342.487 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001193643680 1293384685 /nfs/dbraw/zinc/38/46/85/1293384685.db2.gz YSTTTZBXVQOFFT-GOSISDBHSA-N 1 3 342.487 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193643508 1293385240 /nfs/dbraw/zinc/38/52/40/1293385240.db2.gz VEKUOMXZDAHHLA-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193643508 1293385251 /nfs/dbraw/zinc/38/52/51/1293385251.db2.gz VEKUOMXZDAHHLA-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001193643578 1293385682 /nfs/dbraw/zinc/38/56/82/1293385682.db2.gz XCGTUZGRKHQVFH-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001193643578 1293385690 /nfs/dbraw/zinc/38/56/90/1293385690.db2.gz XCGTUZGRKHQVFH-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193643595 1293385779 /nfs/dbraw/zinc/38/57/79/1293385779.db2.gz XMIIIGARRQFDLB-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193643595 1293385781 /nfs/dbraw/zinc/38/57/81/1293385781.db2.gz XMIIIGARRQFDLB-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016830839 1313001730 /nfs/dbraw/zinc/00/17/30/1313001730.db2.gz WRBLPNKRKIYGLD-HKUYNNGSSA-N 1 3 345.531 2.942 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(C)n1 ZINC001276418327 1313006574 /nfs/dbraw/zinc/00/65/74/1313006574.db2.gz DGEYCGYAPLFVQS-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(C)n1 ZINC001276418327 1313006577 /nfs/dbraw/zinc/00/65/77/1313006577.db2.gz DGEYCGYAPLFVQS-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO C[N@H+](CC/C=C\c1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040892 1293510297 /nfs/dbraw/zinc/51/02/97/1293510297.db2.gz USIAMGMMBKKPDA-ITJCZCKWSA-N 1 3 341.499 2.718 20 0 EFADHO C[N@@H+](CC/C=C\c1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040892 1293510301 /nfs/dbraw/zinc/51/03/01/1293510301.db2.gz USIAMGMMBKKPDA-ITJCZCKWSA-N 1 3 341.499 2.718 20 0 EFADHO Cc1ncc(Br)cc1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205651924 1293515320 /nfs/dbraw/zinc/51/53/20/1293515320.db2.gz LVTIDGPAQGKXLB-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246764 1293570085 /nfs/dbraw/zinc/57/00/85/1293570085.db2.gz RLPBOYAOALMUFQ-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246764 1293570087 /nfs/dbraw/zinc/57/00/87/1293570087.db2.gz RLPBOYAOALMUFQ-AEFFLSMTSA-N 1 3 331.504 2.941 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203772396 1313011665 /nfs/dbraw/zinc/01/16/65/1313011665.db2.gz SFFABMOWJSJNBM-MSOLQXFVSA-N 1 3 347.478 2.738 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194284398 1293586339 /nfs/dbraw/zinc/58/63/39/1293586339.db2.gz HJBMMIZPDUKHML-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccc(CCC[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194284398 1293586346 /nfs/dbraw/zinc/58/63/46/1293586346.db2.gz HJBMMIZPDUKHML-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001194293098 1293590791 /nfs/dbraw/zinc/59/07/91/1293590791.db2.gz FEAKYHSNDWQIGK-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001194293098 1293590798 /nfs/dbraw/zinc/59/07/98/1293590798.db2.gz FEAKYHSNDWQIGK-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194295963 1293592104 /nfs/dbraw/zinc/59/21/04/1293592104.db2.gz SDRYKTLMXASEMD-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194295963 1293592109 /nfs/dbraw/zinc/59/21/09/1293592109.db2.gz SDRYKTLMXASEMD-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001194294097 1293592261 /nfs/dbraw/zinc/59/22/61/1293592261.db2.gz JSUNRABXECAECN-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001194294097 1293592266 /nfs/dbraw/zinc/59/22/66/1293592266.db2.gz JSUNRABXECAECN-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001194294211 1293592750 /nfs/dbraw/zinc/59/27/50/1293592750.db2.gz LAXZCNSCWXPTAI-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001194294211 1293592758 /nfs/dbraw/zinc/59/27/58/1293592758.db2.gz LAXZCNSCWXPTAI-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001194295009 1293592900 /nfs/dbraw/zinc/59/29/00/1293592900.db2.gz OBNHIXDCLNASFU-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001194295009 1293592902 /nfs/dbraw/zinc/59/29/02/1293592902.db2.gz OBNHIXDCLNASFU-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001194295005 1293592950 /nfs/dbraw/zinc/59/29/50/1293592950.db2.gz OBNHIXDCLNASFU-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001194295005 1293592952 /nfs/dbraw/zinc/59/29/52/1293592952.db2.gz OBNHIXDCLNASFU-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001194296039 1293593288 /nfs/dbraw/zinc/59/32/88/1293593288.db2.gz UYHZQZRRMQAEGU-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001194296039 1293593293 /nfs/dbraw/zinc/59/32/93/1293593293.db2.gz UYHZQZRRMQAEGU-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCCC1 ZINC001016859634 1313014427 /nfs/dbraw/zinc/01/44/27/1313014427.db2.gz BUCMABLSFKDTCE-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCCC1 ZINC001016859637 1313014447 /nfs/dbraw/zinc/01/44/47/1313014447.db2.gz BUCMABLSFKDTCE-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016860230 1313015136 /nfs/dbraw/zinc/01/51/36/1313015136.db2.gz HGSVGACEROOWMO-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203790924 1313016303 /nfs/dbraw/zinc/01/63/03/1313016303.db2.gz AJJSFTBOPRHQTE-QZTJIDSGSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203791437 1313016406 /nfs/dbraw/zinc/01/64/06/1313016406.db2.gz IOVIUDWSEVJEPE-QZTJIDSGSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)cc1 ZINC001203792263 1313017260 /nfs/dbraw/zinc/01/72/60/1313017260.db2.gz NWENJGSRLLHZHD-MOPGFXCFSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)cc1 ZINC001203792264 1313017273 /nfs/dbraw/zinc/01/72/73/1313017273.db2.gz NWENJGSRLLHZHD-OALUTQOASA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203794542 1313017491 /nfs/dbraw/zinc/01/74/91/1313017491.db2.gz XILUWLVNBUOZOD-QZTJIDSGSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203794539 1313017632 /nfs/dbraw/zinc/01/76/32/1313017632.db2.gz XILUWLVNBUOZOD-MSOLQXFVSA-N 1 3 329.488 2.544 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)c1 ZINC001203794857 1313017688 /nfs/dbraw/zinc/01/76/88/1313017688.db2.gz ZMHJGBFFWFKCJN-MOPGFXCFSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203794101 1313017777 /nfs/dbraw/zinc/01/77/77/1313017777.db2.gz USKHMJUGLSKXRC-ROUUACIJSA-N 1 3 335.536 2.924 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203869224 1313036273 /nfs/dbraw/zinc/03/62/73/1313036273.db2.gz AOIBAJDKVQNUAT-WYMLVPIESA-N 1 3 348.318 2.762 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C/Cl ZINC001049573819 1313036321 /nfs/dbraw/zinc/03/63/21/1313036321.db2.gz WXCJVXVBGGKCCU-CHTJOOCBSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C/Cl ZINC001049573819 1313036327 /nfs/dbraw/zinc/03/63/27/1313036327.db2.gz WXCJVXVBGGKCCU-CHTJOOCBSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C/Cl ZINC001049573819 1313036330 /nfs/dbraw/zinc/03/63/30/1313036330.db2.gz WXCJVXVBGGKCCU-CHTJOOCBSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C/Cl ZINC001049573819 1313036333 /nfs/dbraw/zinc/03/63/33/1313036333.db2.gz WXCJVXVBGGKCCU-CHTJOOCBSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCCNCc1ccc(Cl)c(F)c1 ZINC001152224651 1293961838 /nfs/dbraw/zinc/96/18/38/1293961838.db2.gz ZMRXFODNSAGGBL-UHFFFAOYSA-N 1 3 341.858 2.561 20 0 EFADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203902656 1313044195 /nfs/dbraw/zinc/04/41/95/1313044195.db2.gz HPJKXGHNUAGYAQ-INIZCTEOSA-N 1 3 335.467 2.691 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000884217636 1294053317 /nfs/dbraw/zinc/05/33/17/1294053317.db2.gz SLSLWABGTFXKQA-CTNGQTDRSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000884217636 1294053323 /nfs/dbraw/zinc/05/33/23/1294053323.db2.gz SLSLWABGTFXKQA-CTNGQTDRSA-N 1 3 341.499 2.629 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925074 1313048242 /nfs/dbraw/zinc/04/82/42/1313048242.db2.gz JMYVVSRJFVBSNR-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCc2ccsc2)CC1 ZINC001203924922 1313048529 /nfs/dbraw/zinc/04/85/29/1313048529.db2.gz HEVJHXIYMZOHPA-UHFFFAOYSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC001203925515 1313048659 /nfs/dbraw/zinc/04/86/59/1313048659.db2.gz QQDDUXBCJHXMIT-UHFFFAOYSA-N 1 3 343.924 2.822 20 0 EFADHO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000884324795 1294097922 /nfs/dbraw/zinc/09/79/22/1294097922.db2.gz ACRSPEQHQUMEKL-MAUKXSAKSA-N 1 3 346.519 2.733 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000884329511 1294099864 /nfs/dbraw/zinc/09/98/64/1294099864.db2.gz OBOURONTAPOJQD-MNEFBYGVSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000884329511 1294099871 /nfs/dbraw/zinc/09/98/71/1294099871.db2.gz OBOURONTAPOJQD-MNEFBYGVSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000884329508 1294100073 /nfs/dbraw/zinc/10/00/73/1294100073.db2.gz OBOURONTAPOJQD-ATZDWAIDSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000884329508 1294100077 /nfs/dbraw/zinc/10/00/77/1294100077.db2.gz OBOURONTAPOJQD-ATZDWAIDSA-N 1 3 329.488 2.531 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196060205 1294113601 /nfs/dbraw/zinc/11/36/01/1294113601.db2.gz ORDSWQDYYAZLTB-KRWDZBQOSA-N 1 3 327.488 2.535 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCCCCF)CC1 ZINC001196060205 1294113605 /nfs/dbraw/zinc/11/36/05/1294113605.db2.gz ORDSWQDYYAZLTB-KRWDZBQOSA-N 1 3 327.488 2.535 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154442 1294152343 /nfs/dbraw/zinc/15/23/43/1294152343.db2.gz GQYNSJCQGUNHDL-SFFCAUCYSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196154442 1294152348 /nfs/dbraw/zinc/15/23/48/1294152348.db2.gz GQYNSJCQGUNHDL-SFFCAUCYSA-N 1 3 335.536 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001016952402 1313056495 /nfs/dbraw/zinc/05/64/95/1313056495.db2.gz VKUQKDJBWNJBHC-GOSISDBHSA-N 1 3 344.503 2.812 20 0 EFADHO O=C(N1CCCN(CCCCCF)CC1)C12CCC[NH+](CCC1)C2 ZINC001196276167 1294189770 /nfs/dbraw/zinc/18/97/70/1294189770.db2.gz SWQXADJZJVWNRA-UHFFFAOYSA-N 1 3 339.499 2.537 20 0 EFADHO c1c[nH]c(C[NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001204006481 1313063008 /nfs/dbraw/zinc/06/30/08/1313063008.db2.gz UOSSNUNTILHJGR-UHFFFAOYSA-N 1 3 340.471 2.524 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641416 1294302004 /nfs/dbraw/zinc/30/20/04/1294302004.db2.gz FUIOAFMXUAKCEG-QGZVFWFLSA-N 1 3 341.515 2.923 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641416 1294302011 /nfs/dbraw/zinc/30/20/11/1294302011.db2.gz FUIOAFMXUAKCEG-QGZVFWFLSA-N 1 3 341.515 2.923 20 0 EFADHO C[NH+]1CCC2(CC1)CN(C[C@H]1COC(C)(C)O1)Cc1ccccc12 ZINC001276435728 1313067103 /nfs/dbraw/zinc/06/71/03/1313067103.db2.gz FETIGQJVVDMZKM-KRWDZBQOSA-N 1 3 330.472 2.617 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016981579 1313070518 /nfs/dbraw/zinc/07/05/18/1313070518.db2.gz FDWOTCRUDHBDSB-SFHVURJKSA-N 1 3 329.488 2.741 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC23CC[NH+](CC2CC2)CC3)c1 ZINC001016982558 1313071397 /nfs/dbraw/zinc/07/13/97/1313071397.db2.gz JGBXDIUAJQPBGX-LJQANCHMSA-N 1 3 341.499 2.743 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942953 1294419275 /nfs/dbraw/zinc/41/92/75/1294419275.db2.gz JQLANFWJZITKOV-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C3(C[NH+](C)C)CC3)CC2)c(C)c1 ZINC001196952790 1294421087 /nfs/dbraw/zinc/42/10/87/1294421087.db2.gz COYFETGQMIOEKD-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H](C(C)C)N(C)C ZINC000958790519 1294488734 /nfs/dbraw/zinc/48/87/34/1294488734.db2.gz FIIQXDRJKVBNEF-MOPGFXCFSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN(C)C1CCC1 ZINC000958790929 1294488962 /nfs/dbraw/zinc/48/89/62/1294488962.db2.gz KIPCMGALYDYDFZ-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396536 1294528734 /nfs/dbraw/zinc/52/87/34/1294528734.db2.gz DEAUDOQWGABSHJ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396536 1294528739 /nfs/dbraw/zinc/52/87/39/1294528739.db2.gz DEAUDOQWGABSHJ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396871 1294530206 /nfs/dbraw/zinc/53/02/06/1294530206.db2.gz RUFLQRGGDSSTJR-FKDQEEMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396871 1294530210 /nfs/dbraw/zinc/53/02/10/1294530210.db2.gz RUFLQRGGDSSTJR-FKDQEEMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccccc2OCC(F)F)CC1 ZINC000886020631 1294625129 /nfs/dbraw/zinc/62/51/29/1294625129.db2.gz DTYXLCSGXDZUIS-UHFFFAOYSA-N 1 3 342.430 2.655 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049616132 1313089933 /nfs/dbraw/zinc/08/99/33/1313089933.db2.gz RMKWNVXDHQUJFD-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049616132 1313089937 /nfs/dbraw/zinc/08/99/37/1313089937.db2.gz RMKWNVXDHQUJFD-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616433 1313090294 /nfs/dbraw/zinc/09/02/94/1313090294.db2.gz VWGJVBXATQNDPZ-ZCNNSNEGSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616433 1313090297 /nfs/dbraw/zinc/09/02/97/1313090297.db2.gz VWGJVBXATQNDPZ-ZCNNSNEGSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616018 1313090309 /nfs/dbraw/zinc/09/03/09/1313090309.db2.gz PUNAFYAUHVFBDJ-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049616018 1313090313 /nfs/dbraw/zinc/09/03/13/1313090313.db2.gz PUNAFYAUHVFBDJ-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616016 1313090564 /nfs/dbraw/zinc/09/05/64/1313090564.db2.gz PUNAFYAUHVFBDJ-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616016 1313090568 /nfs/dbraw/zinc/09/05/68/1313090568.db2.gz PUNAFYAUHVFBDJ-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095912556 1294652729 /nfs/dbraw/zinc/65/27/29/1294652729.db2.gz XKJYZYVDTBKKLG-YDZRNGNQSA-N 1 3 333.520 2.913 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095912556 1294652737 /nfs/dbraw/zinc/65/27/37/1294652737.db2.gz XKJYZYVDTBKKLG-YDZRNGNQSA-N 1 3 333.520 2.913 20 0 EFADHO CCc1ccc(CCN2CCCN(C(=O)CC[N@@H+](C)CC)CC2)cc1 ZINC001197705716 1294677433 /nfs/dbraw/zinc/67/74/33/1294677433.db2.gz DAJVQQNDFYYUJH-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO CCc1ccc(CCN2CCCN(C(=O)CC[N@H+](C)CC)CC2)cc1 ZINC001197705716 1294677451 /nfs/dbraw/zinc/67/74/51/1294677451.db2.gz DAJVQQNDFYYUJH-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001197705490 1294677943 /nfs/dbraw/zinc/67/79/43/1294677943.db2.gz AFRVUYPQEGCSCQ-IBGZPJMESA-N 1 3 329.488 2.550 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001197705490 1294677951 /nfs/dbraw/zinc/67/79/51/1294677951.db2.gz AFRVUYPQEGCSCQ-IBGZPJMESA-N 1 3 329.488 2.550 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccc(C)c(C)c2)CC1 ZINC001197707272 1294681172 /nfs/dbraw/zinc/68/11/72/1294681172.db2.gz OJRNUIAIELHZKG-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccc(C)c(C)c2)CC1 ZINC001197707272 1294681185 /nfs/dbraw/zinc/68/11/85/1294681185.db2.gz OJRNUIAIELHZKG-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001197817118 1294749831 /nfs/dbraw/zinc/74/98/31/1294749831.db2.gz GGFMATDRASYPFI-MRXNPFEDSA-N 1 3 334.508 2.904 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001197817118 1294749841 /nfs/dbraw/zinc/74/98/41/1294749841.db2.gz GGFMATDRASYPFI-MRXNPFEDSA-N 1 3 334.508 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006402136 1294750362 /nfs/dbraw/zinc/75/03/62/1294750362.db2.gz UPMKMJADXKSSDC-WBVHZDCISA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006402136 1294750377 /nfs/dbraw/zinc/75/03/77/1294750377.db2.gz UPMKMJADXKSSDC-WBVHZDCISA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006403195 1294819015 /nfs/dbraw/zinc/81/90/15/1294819015.db2.gz YSKAJTNUMUSMPX-WBVHZDCISA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006403195 1294819017 /nfs/dbraw/zinc/81/90/17/1294819017.db2.gz YSKAJTNUMUSMPX-WBVHZDCISA-N 1 3 347.478 2.761 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC001198129618 1294888014 /nfs/dbraw/zinc/88/80/14/1294888014.db2.gz SJNALDMTERLTLF-UHFFFAOYSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629752 1313109794 /nfs/dbraw/zinc/10/97/94/1313109794.db2.gz LTSBVURJSGCJII-MSOLQXFVSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629752 1313109797 /nfs/dbraw/zinc/10/97/97/1313109797.db2.gz LTSBVURJSGCJII-MSOLQXFVSA-N 1 3 333.520 2.892 20 0 EFADHO Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2CC1(C)CC[NH+](C)CC1 ZINC001276453558 1313110740 /nfs/dbraw/zinc/11/07/40/1313110740.db2.gz LARVUBLMJALDFE-CALCHBBNSA-N 1 3 348.560 2.832 20 0 EFADHO COc1cc(C)c(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1OC ZINC000903719454 1313113655 /nfs/dbraw/zinc/11/36/55/1313113655.db2.gz ZYBAWNYAIWOFIC-KRWDZBQOSA-N 1 3 348.487 2.603 20 0 EFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001276451993 1313118120 /nfs/dbraw/zinc/11/81/20/1313118120.db2.gz ORBOVKVQUHEBQM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276452002 1313118151 /nfs/dbraw/zinc/11/81/51/1313118151.db2.gz PEJXOOUOXIJCCF-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]2CC1 ZINC001276452002 1313118155 /nfs/dbraw/zinc/11/81/55/1313118155.db2.gz PEJXOOUOXIJCCF-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636570 1313118700 /nfs/dbraw/zinc/11/87/00/1313118700.db2.gz CVXICZFWYCTBKK-ULQDDVLXSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636570 1313118702 /nfs/dbraw/zinc/11/87/02/1313118702.db2.gz CVXICZFWYCTBKK-ULQDDVLXSA-N 1 3 339.499 2.674 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903723016 1313118873 /nfs/dbraw/zinc/11/88/73/1313118873.db2.gz RYRXSSFLWMORBA-PZJWPPBQSA-N 1 3 342.483 2.658 20 0 EFADHO COc1ccccc1NC(=O)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722963 1313119038 /nfs/dbraw/zinc/11/90/38/1313119038.db2.gz RBTHETNHZVHIDC-INIZCTEOSA-N 1 3 345.487 2.735 20 0 EFADHO O=C(NCc1ccc(F)cc1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903723922 1313120301 /nfs/dbraw/zinc/12/03/01/1313120301.db2.gz JMTNWTQYJWHKBS-QGZVFWFLSA-N 1 3 347.478 2.544 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640459 1313122737 /nfs/dbraw/zinc/12/27/37/1313122737.db2.gz VUMAVHDHXHIACE-CSODTCANSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640459 1313122739 /nfs/dbraw/zinc/12/27/39/1313122739.db2.gz VUMAVHDHXHIACE-CSODTCANSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1ccc(CNC(=O)C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903727643 1313124944 /nfs/dbraw/zinc/12/49/44/1313124944.db2.gz WKWWALGUMBPLDA-IBGZPJMESA-N 1 3 343.515 2.713 20 0 EFADHO CC1([NH+]2CCCC2)CCC(N[C@H]2Cc3ccccc3NC2=O)CC1 ZINC000886643126 1295085485 /nfs/dbraw/zinc/08/54/85/1295085485.db2.gz LQTQYSDBWLLVRN-IPCDKGFNSA-N 1 3 327.472 2.937 20 0 EFADHO Fc1cccc(CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]2CCCO2)c1 ZINC000903727136 1313124889 /nfs/dbraw/zinc/12/48/89/1313124889.db2.gz QUPCNODPNWGQDD-ZCNNSNEGSA-N 1 3 348.462 2.575 20 0 EFADHO CCCN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198759794 1295236637 /nfs/dbraw/zinc/23/66/37/1295236637.db2.gz MVRPAOANINZHNY-FUHWJXTLSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198759794 1295236646 /nfs/dbraw/zinc/23/66/46/1295236646.db2.gz MVRPAOANINZHNY-FUHWJXTLSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198759795 1295237565 /nfs/dbraw/zinc/23/75/65/1295237565.db2.gz MVRPAOANINZHNY-SJLPKXTDSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198759795 1295237575 /nfs/dbraw/zinc/23/75/75/1295237575.db2.gz MVRPAOANINZHNY-SJLPKXTDSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@H](C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1OC)N(C)C ZINC001198774905 1295245455 /nfs/dbraw/zinc/24/54/55/1295245455.db2.gz CHSDECBURJJSLD-ZWKOTPCHSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001017072995 1313140416 /nfs/dbraw/zinc/14/04/16/1313140416.db2.gz XVRLOQJHPDQCPO-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001017072995 1313140420 /nfs/dbraw/zinc/14/04/20/1313140420.db2.gz XVRLOQJHPDQCPO-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO CCN[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895901 1295298417 /nfs/dbraw/zinc/29/84/17/1295298417.db2.gz XXUUTDQOVMCOPM-IRXDYDNUSA-N 1 3 335.492 2.582 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)CN1CCC[C@@H]1C)c1ccccc1OC ZINC001198901883 1295301605 /nfs/dbraw/zinc/30/16/05/1295301605.db2.gz AEYLKHGKBRGWQS-WMZOPIPTSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000415143485 1295303617 /nfs/dbraw/zinc/30/36/17/1295303617.db2.gz SQABLFUOKCKVTM-OAQYLSRUSA-N 1 3 342.531 2.547 20 0 EFADHO CCCCN[C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865446 1295305808 /nfs/dbraw/zinc/30/58/08/1295305808.db2.gz KUQYOWSZCQSOGH-QGZVFWFLSA-N 1 3 335.492 2.584 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CCC[NH+](C)C)NCCC1CC1 ZINC001198867221 1295308317 /nfs/dbraw/zinc/30/83/17/1295308317.db2.gz ZBCAYMOMFWGINU-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198952931 1295351646 /nfs/dbraw/zinc/35/16/46/1295351646.db2.gz DWNUAVGLWCWXLD-KRWDZBQOSA-N 1 3 335.492 2.584 20 0 EFADHO CCCCN[C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198952931 1295351652 /nfs/dbraw/zinc/35/16/52/1295351652.db2.gz DWNUAVGLWCWXLD-KRWDZBQOSA-N 1 3 335.492 2.584 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](NCC1CCC1)c1ccccc1OC ZINC001198953586 1295352460 /nfs/dbraw/zinc/35/24/60/1295352460.db2.gz QVPRKORXVGQQIU-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](NCC1CCC1)c1ccccc1OC ZINC001198953586 1295352473 /nfs/dbraw/zinc/35/24/73/1295352473.db2.gz QVPRKORXVGQQIU-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198967582 1295363501 /nfs/dbraw/zinc/36/35/01/1295363501.db2.gz JSBZLQQPSAFRNI-QGZVFWFLSA-N 1 3 335.492 2.582 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198967582 1295363510 /nfs/dbraw/zinc/36/35/10/1295363510.db2.gz JSBZLQQPSAFRNI-QGZVFWFLSA-N 1 3 335.492 2.582 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC001198968999 1295365097 /nfs/dbraw/zinc/36/50/97/1295365097.db2.gz RGWPEXVSGICZPG-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001203924517 1295387021 /nfs/dbraw/zinc/38/70/21/1295387021.db2.gz AAOXUJRXULXONZ-UHFFFAOYSA-N 1 3 335.467 2.577 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198993799 1295390875 /nfs/dbraw/zinc/39/08/75/1295390875.db2.gz SDBSRCSQWKEJOW-ZWKOTPCHSA-N 1 3 347.503 2.725 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CC[NH+]1CCCCC1)NC(C)C ZINC001198994194 1295390889 /nfs/dbraw/zinc/39/08/89/1295390889.db2.gz VQBFGZAILFDUOQ-SFHVURJKSA-N 1 3 347.503 2.727 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001203924940 1295404426 /nfs/dbraw/zinc/40/44/26/1295404426.db2.gz HVMHWBDBGXQRFX-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925212 1295412078 /nfs/dbraw/zinc/41/20/78/1295412078.db2.gz LSEGAJCHUJECJK-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1c(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cnn1C ZINC001204570745 1313166764 /nfs/dbraw/zinc/16/67/64/1313166764.db2.gz QXDUOGZYFCSTTI-UHFFFAOYSA-N 1 3 339.487 2.612 20 0 EFADHO Cc1c(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cnn1C ZINC001204570745 1313166765 /nfs/dbraw/zinc/16/67/65/1313166765.db2.gz QXDUOGZYFCSTTI-UHFFFAOYSA-N 1 3 339.487 2.612 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+](CCN(C)C)Cc1ccccc1 ZINC001204604108 1313172358 /nfs/dbraw/zinc/17/23/58/1313172358.db2.gz ASNZXKAJONFNRZ-DOTOQJQBSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001204604108 1313172362 /nfs/dbraw/zinc/17/23/62/1313172362.db2.gz ASNZXKAJONFNRZ-DOTOQJQBSA-N 1 3 325.447 2.541 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001234627340 1313172609 /nfs/dbraw/zinc/17/26/09/1313172609.db2.gz NUBVBYHMAUGHIS-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001234627340 1313172610 /nfs/dbraw/zinc/17/26/10/1313172610.db2.gz NUBVBYHMAUGHIS-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890764 1295681115 /nfs/dbraw/zinc/68/11/15/1295681115.db2.gz QZBRJVNDGOHBIW-IAGOWNOFSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890764 1295681126 /nfs/dbraw/zinc/68/11/26/1295681126.db2.gz QZBRJVNDGOHBIW-IAGOWNOFSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890755 1295682032 /nfs/dbraw/zinc/68/20/32/1295682032.db2.gz QZBRJVNDGOHBIW-DLBZAZTESA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890755 1295682047 /nfs/dbraw/zinc/68/20/47/1295682047.db2.gz QZBRJVNDGOHBIW-DLBZAZTESA-N 1 3 337.895 2.932 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001234640517 1313175279 /nfs/dbraw/zinc/17/52/79/1313175279.db2.gz ABHLFXYZZIOWBI-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001234640517 1313175281 /nfs/dbraw/zinc/17/52/81/1313175281.db2.gz ABHLFXYZZIOWBI-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001234641238 1313175983 /nfs/dbraw/zinc/17/59/83/1313175983.db2.gz DBPHKWFKXUWESG-IRXDYDNUSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)C ZINC001234641238 1313175985 /nfs/dbraw/zinc/17/59/85/1313175985.db2.gz DBPHKWFKXUWESG-IRXDYDNUSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001234642781 1313176192 /nfs/dbraw/zinc/17/61/92/1313176192.db2.gz KWHOCOHWVRUWTM-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001234642781 1313176193 /nfs/dbraw/zinc/17/61/93/1313176193.db2.gz KWHOCOHWVRUWTM-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643926 1313176619 /nfs/dbraw/zinc/17/66/19/1313176619.db2.gz RJBMQOGPLJAGTN-IAGOWNOFSA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234643926 1313176622 /nfs/dbraw/zinc/17/66/22/1313176622.db2.gz RJBMQOGPLJAGTN-IAGOWNOFSA-N 1 3 329.504 2.779 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276362427 1295814197 /nfs/dbraw/zinc/81/41/97/1295814197.db2.gz CQESBOHWWBQPMA-KDURUIRLSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001276362427 1295814205 /nfs/dbraw/zinc/81/42/05/1295814205.db2.gz CQESBOHWWBQPMA-KDURUIRLSA-N 1 3 343.515 2.535 20 0 EFADHO FC(F)(F)c1ccc2c(c1)CCN(C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903770781 1313184325 /nfs/dbraw/zinc/18/43/25/1313184325.db2.gz LQBWRLMSDTYXLH-DLBZAZTESA-N 1 3 340.389 2.832 20 0 EFADHO FC(F)(F)c1ccc2c(c1)CCN(C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903770784 1313184541 /nfs/dbraw/zinc/18/45/41/1313184541.db2.gz LQBWRLMSDTYXLH-SJORKVTESA-N 1 3 340.389 2.832 20 0 EFADHO CC[NH+](CC)CC1CCN(CCOC(=O)Cc2ccccc2)CC1 ZINC001412944795 1295912992 /nfs/dbraw/zinc/91/29/92/1295912992.db2.gz QAXJPGIVQNPVQU-UHFFFAOYSA-N 1 3 332.488 2.826 20 0 EFADHO CSc1cc(C)cc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1 ZINC001277897059 1313195637 /nfs/dbraw/zinc/19/56/37/1313195637.db2.gz VPHBACDCRIJQRM-OALUTQOASA-N 1 3 333.545 2.927 20 0 EFADHO CSc1cc(C)cc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1 ZINC001277897059 1313195639 /nfs/dbraw/zinc/19/56/39/1313195639.db2.gz VPHBACDCRIJQRM-OALUTQOASA-N 1 3 333.545 2.927 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001204799467 1313196609 /nfs/dbraw/zinc/19/66/09/1313196609.db2.gz XPJDAICKTMLSOO-JUIXODQZSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC001412951805 1295942773 /nfs/dbraw/zinc/94/27/73/1295942773.db2.gz UPHPAHPUTHXWPE-QGZVFWFLSA-N 1 3 329.488 2.630 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC001412951805 1295942782 /nfs/dbraw/zinc/94/27/82/1295942782.db2.gz UPHPAHPUTHXWPE-QGZVFWFLSA-N 1 3 329.488 2.630 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccsc3)C2)CCC1 ZINC001017142981 1313199202 /nfs/dbraw/zinc/19/92/02/1313199202.db2.gz QGCDLGBGVQNTSK-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccsc3)C2)CCC1 ZINC001017142981 1313199206 /nfs/dbraw/zinc/19/92/06/1313199206.db2.gz QGCDLGBGVQNTSK-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001017146734 1313200775 /nfs/dbraw/zinc/20/07/75/1313200775.db2.gz QSWFQSWPXYRWPU-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001017146734 1313200779 /nfs/dbraw/zinc/20/07/79/1313200779.db2.gz QSWFQSWPXYRWPU-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017150952 1313205908 /nfs/dbraw/zinc/20/59/08/1313205908.db2.gz BDDSNVUBZHLFHP-RBUKOAKNSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017150952 1313205914 /nfs/dbraw/zinc/20/59/14/1313205914.db2.gz BDDSNVUBZHLFHP-RBUKOAKNSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017153415 1313208930 /nfs/dbraw/zinc/20/89/30/1313208930.db2.gz ORGNSYGNQOAJDP-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017153415 1313208933 /nfs/dbraw/zinc/20/89/33/1313208933.db2.gz ORGNSYGNQOAJDP-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037246337 1296040622 /nfs/dbraw/zinc/04/06/22/1296040622.db2.gz KXBZPDQEIGHMRF-SJORKVTESA-N 1 3 332.492 2.715 20 0 EFADHO CC(C)=CCN1CC[C@@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274270482 1296051769 /nfs/dbraw/zinc/05/17/69/1296051769.db2.gz UGSKNUKYXTXAOC-HXUWFJFHSA-N 1 3 338.455 2.954 20 0 EFADHO CC(C)=CCN1CC[C@@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001274270482 1296051775 /nfs/dbraw/zinc/05/17/75/1296051775.db2.gz UGSKNUKYXTXAOC-HXUWFJFHSA-N 1 3 338.455 2.954 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001037249442 1296087727 /nfs/dbraw/zinc/08/77/27/1296087727.db2.gz YYJHTBGURCGHFC-ZWKOTPCHSA-N 1 3 340.471 2.725 20 0 EFADHO CCCCCNC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793372 1313223905 /nfs/dbraw/zinc/22/39/05/1313223905.db2.gz BOKYSURAJWHBDD-QGZVFWFLSA-N 1 3 331.504 2.674 20 0 EFADHO C[C@@H](C(=O)N1CCC(C)CC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794114 1313224276 /nfs/dbraw/zinc/22/42/76/1313224276.db2.gz OAUVTMJPOWSCHF-SFHVURJKSA-N 1 3 343.515 2.626 20 0 EFADHO CC[C@H]1CCCCN1C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793671 1313224306 /nfs/dbraw/zinc/22/43/06/1313224306.db2.gz IAUKCLTXUGLXBG-IBGZPJMESA-N 1 3 343.515 2.770 20 0 EFADHO C[C@@H](C(=O)NC1CCCCC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794404 1313224508 /nfs/dbraw/zinc/22/45/08/1313224508.db2.gz UAMDAYVFHZUKNP-KRWDZBQOSA-N 1 3 343.515 2.816 20 0 EFADHO Clc1ccc(-n2cccc2CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC001235038183 1313230003 /nfs/dbraw/zinc/23/00/03/1313230003.db2.gz UPWCTGHHCOUHSO-DNVCBOLYSA-N 1 3 345.874 2.941 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC000959922146 1296240212 /nfs/dbraw/zinc/24/02/12/1296240212.db2.gz ASIURUFXZVQVHZ-RBUKOAKNSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cs1 ZINC000959924831 1296243007 /nfs/dbraw/zinc/24/30/07/1296243007.db2.gz JTLMGKBAUCVERT-DLBZAZTESA-N 1 3 335.517 2.621 20 0 EFADHO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277922334 1313241050 /nfs/dbraw/zinc/24/10/50/1313241050.db2.gz KPTOIULWKRSFNK-WDSOQIARSA-N 1 3 347.547 2.878 20 0 EFADHO CCCC[C@H](CC)C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@H]2C1 ZINC001277922334 1313241053 /nfs/dbraw/zinc/24/10/53/1313241053.db2.gz KPTOIULWKRSFNK-WDSOQIARSA-N 1 3 347.547 2.878 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC001277923583 1313243270 /nfs/dbraw/zinc/24/32/70/1313243270.db2.gz CDYOHUGVUDGVLP-ZXFUBFMLSA-N 1 3 340.471 2.879 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC001277923583 1313243274 /nfs/dbraw/zinc/24/32/74/1313243274.db2.gz CDYOHUGVUDGVLP-ZXFUBFMLSA-N 1 3 340.471 2.879 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC000960043158 1296396792 /nfs/dbraw/zinc/39/67/92/1296396792.db2.gz LKESXOVTLGDEIJ-RBUKOAKNSA-N 1 3 346.519 2.509 20 0 EFADHO COC(=O)c1cc(F)ccc1CN1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235153071 1313253354 /nfs/dbraw/zinc/25/33/54/1313253354.db2.gz DIAQRJFUFBLDFL-GOSISDBHSA-N 1 3 334.435 2.966 20 0 EFADHO CCOc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)cc1 ZINC001275840633 1296430154 /nfs/dbraw/zinc/43/01/54/1296430154.db2.gz ZVDGEYKKQDFPGV-NRFANRHFSA-N 1 3 345.531 2.935 20 0 EFADHO CCOc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)cc1 ZINC001275840633 1296430156 /nfs/dbraw/zinc/43/01/56/1296430156.db2.gz ZVDGEYKKQDFPGV-NRFANRHFSA-N 1 3 345.531 2.935 20 0 EFADHO Cc1cccc2cc(CN3CCC[C@](O)(C[NH3+])CC3)c(Cl)nc12 ZINC001205242254 1313257961 /nfs/dbraw/zinc/25/79/61/1313257961.db2.gz XZYVWZJDLQDMRE-GOSISDBHSA-N 1 3 333.863 2.872 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC000960130438 1296489945 /nfs/dbraw/zinc/48/99/45/1296489945.db2.gz HKFIWHWKGBOMPK-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCCC2)C1 ZINC000960132266 1296490758 /nfs/dbraw/zinc/49/07/58/1296490758.db2.gz VENSUTDPVRLNIZ-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC000960131847 1296491062 /nfs/dbraw/zinc/49/10/62/1296491062.db2.gz RUDVQNYEXLNUKX-ABHNRTSZSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960132709 1296493202 /nfs/dbraw/zinc/49/32/02/1296493202.db2.gz YSVQCUPIFCNERX-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001017209105 1313266499 /nfs/dbraw/zinc/26/64/99/1313266499.db2.gz LQNQWIBZCIVBPP-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001017209105 1313266502 /nfs/dbraw/zinc/26/65/02/1313266502.db2.gz LQNQWIBZCIVBPP-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001017209429 1313267334 /nfs/dbraw/zinc/26/73/34/1313267334.db2.gz PDXCYHVVYOSZOP-AZUAARDMSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001017209429 1313267336 /nfs/dbraw/zinc/26/73/36/1313267336.db2.gz PDXCYHVVYOSZOP-AZUAARDMSA-N 1 3 343.515 2.699 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001235220612 1313267339 /nfs/dbraw/zinc/26/73/39/1313267339.db2.gz IAMWPZJAHCJWIL-LEWJYISDSA-N 1 3 339.458 2.959 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017210676 1313267600 /nfs/dbraw/zinc/26/76/00/1313267600.db2.gz BDDSNVUBZHLFHP-MOPGFXCFSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017210676 1313267604 /nfs/dbraw/zinc/26/76/04/1313267604.db2.gz BDDSNVUBZHLFHP-MOPGFXCFSA-N 1 3 335.536 2.997 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210191 1313268196 /nfs/dbraw/zinc/26/81/96/1313268196.db2.gz XNWKOEARNFXPKC-UYAOXDASSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210191 1313268200 /nfs/dbraw/zinc/26/82/00/1313268200.db2.gz XNWKOEARNFXPKC-UYAOXDASSA-N 1 3 347.547 2.999 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235227218 1313268820 /nfs/dbraw/zinc/26/88/20/1313268820.db2.gz FAKOYPIFAJCOSM-MRXNPFEDSA-N 1 3 332.444 2.778 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc2c1OCO2 ZINC001235227217 1313268836 /nfs/dbraw/zinc/26/88/36/1313268836.db2.gz FAKOYPIFAJCOSM-INIZCTEOSA-N 1 3 332.444 2.778 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1)C1CCC1 ZINC001201066252 1296545427 /nfs/dbraw/zinc/54/54/27/1296545427.db2.gz JCNNHAQSGPHIJI-UHFFFAOYSA-N 1 3 349.441 2.784 20 0 EFADHO Clc1ncnc2[nH]cc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c21 ZINC001235228481 1313269866 /nfs/dbraw/zinc/26/98/66/1313269866.db2.gz MVXGTPAOLHYNBQ-CQSZACIVSA-N 1 3 333.867 2.917 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1OC(C)=O ZINC001235231521 1313270182 /nfs/dbraw/zinc/27/01/82/1313270182.db2.gz SHPURHWBCTUBGZ-GOSISDBHSA-N 1 3 346.471 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001201149522 1296591098 /nfs/dbraw/zinc/59/10/98/1296591098.db2.gz BYDCKVNSJHVQPQ-KRWDZBQOSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC000960216322 1296591974 /nfs/dbraw/zinc/59/19/74/1296591974.db2.gz MUKWKHSCHGKIPY-IRXDYDNUSA-N 1 3 347.478 2.953 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001017222505 1313275769 /nfs/dbraw/zinc/27/57/69/1313275769.db2.gz UYXUHIMKNFGJHZ-SFHVURJKSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001017222505 1313275774 /nfs/dbraw/zinc/27/57/74/1313275774.db2.gz UYXUHIMKNFGJHZ-SFHVURJKSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000960220271 1296596802 /nfs/dbraw/zinc/59/68/02/1296596802.db2.gz WVWNJZMUEMKFBM-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000960220271 1296596814 /nfs/dbraw/zinc/59/68/14/1296596814.db2.gz WVWNJZMUEMKFBM-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235259251 1313276926 /nfs/dbraw/zinc/27/69/26/1313276926.db2.gz CKWPTZLPYGNIPI-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259251 1313276928 /nfs/dbraw/zinc/27/69/28/1313276928.db2.gz CKWPTZLPYGNIPI-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF)N1CCCCCC1 ZINC001049767564 1313277323 /nfs/dbraw/zinc/27/73/23/1313277323.db2.gz PSCXBQMBXYNKGG-FGTMMUONSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF)N1CCCCCC1 ZINC001049767564 1313277327 /nfs/dbraw/zinc/27/73/27/1313277327.db2.gz PSCXBQMBXYNKGG-FGTMMUONSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768175 1313278490 /nfs/dbraw/zinc/27/84/90/1313278490.db2.gz UJYGWLXZCFRVPW-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)N1CCCCCC1 ZINC001049768175 1313278493 /nfs/dbraw/zinc/27/84/93/1313278493.db2.gz UJYGWLXZCFRVPW-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017226026 1313278492 /nfs/dbraw/zinc/27/84/92/1313278492.db2.gz ICJSHDZUBWDJTK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017226026 1313278497 /nfs/dbraw/zinc/27/84/97/1313278497.db2.gz ICJSHDZUBWDJTK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205416794 1313284810 /nfs/dbraw/zinc/28/48/10/1313284810.db2.gz DBYZRZATXNGXJM-IPMKNSEASA-N 1 3 349.494 2.850 20 0 EFADHO Cc1cnccc1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276257170 1296688185 /nfs/dbraw/zinc/68/81/85/1296688185.db2.gz UOSUDDNSHDKZKB-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1cnccc1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276257170 1296688190 /nfs/dbraw/zinc/68/81/90/1296688190.db2.gz UOSUDDNSHDKZKB-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457768 1313292918 /nfs/dbraw/zinc/29/29/18/1313292918.db2.gz OYMWJTABDMFSFO-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cccc(F)c1 ZINC001205458579 1313292957 /nfs/dbraw/zinc/29/29/57/1313292957.db2.gz NPRBGPFFWRTWJU-RBUKOAKNSA-N 1 3 349.494 2.706 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000960288947 1296707706 /nfs/dbraw/zinc/70/77/06/1296707706.db2.gz LYOVJVWIFFHXOZ-VXNCWWDNSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000960288947 1296707713 /nfs/dbraw/zinc/70/77/13/1296707713.db2.gz LYOVJVWIFFHXOZ-VXNCWWDNSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461568 1313293577 /nfs/dbraw/zinc/29/35/77/1313293577.db2.gz NQWLWBFGOYFJJM-VQIMIIECSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000960296945 1296714662 /nfs/dbraw/zinc/71/46/62/1296714662.db2.gz PYICXIVAZGZTMG-QZTJIDSGSA-N 1 3 329.488 2.641 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)N1CCCCCC1 ZINC000960310913 1296725425 /nfs/dbraw/zinc/72/54/25/1296725425.db2.gz OXVSOYZLHOLYSV-KFKAGJAMSA-N 1 3 329.488 2.643 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)nc2C)CC1 ZINC001201321720 1296726095 /nfs/dbraw/zinc/72/60/95/1296726095.db2.gz UZEZFQPRFKOYIQ-UHFFFAOYSA-N 1 3 346.519 2.509 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001201321401 1296726348 /nfs/dbraw/zinc/72/63/48/1296726348.db2.gz JSWCFAOZXBQDPD-BENRWUELSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001201321401 1296726353 /nfs/dbraw/zinc/72/63/53/1296726353.db2.gz JSWCFAOZXBQDPD-BENRWUELSA-N 1 3 336.307 2.616 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC001201322029 1296727335 /nfs/dbraw/zinc/72/73/35/1296727335.db2.gz YWXMLOCTTSYBEF-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001201321925 1296727552 /nfs/dbraw/zinc/72/75/52/1296727552.db2.gz XXUJCWAJMSHQHQ-UHFFFAOYSA-N 1 3 335.467 2.637 20 0 EFADHO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205490624 1313299013 /nfs/dbraw/zinc/29/90/13/1313299013.db2.gz OXIHMQJOHKNAHI-SFHVURJKSA-N 1 3 325.541 2.837 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000960332531 1296757543 /nfs/dbraw/zinc/75/75/43/1296757543.db2.gz BYIDOUGUBVJACB-WOJBJXKFSA-N 1 3 337.467 2.754 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355202 1313299865 /nfs/dbraw/zinc/29/98/65/1313299865.db2.gz PVEKDJRHGIZMRE-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355202 1313299867 /nfs/dbraw/zinc/29/98/67/1313299867.db2.gz PVEKDJRHGIZMRE-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC001413012321 1296772026 /nfs/dbraw/zinc/77/20/26/1296772026.db2.gz RHQFVNYZSYGCDX-PMACEKPBSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC001413012321 1296772040 /nfs/dbraw/zinc/77/20/40/1296772040.db2.gz RHQFVNYZSYGCDX-PMACEKPBSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001205516055 1313303272 /nfs/dbraw/zinc/30/32/72/1313303272.db2.gz MMWPQNBLDNLXIX-NHHWLVAYSA-N 1 3 343.515 2.868 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C[C@@H]1CC=CCC1)CCC2 ZINC001201410847 1296815994 /nfs/dbraw/zinc/81/59/94/1296815994.db2.gz MSVKVASUDOJOBZ-QGZVFWFLSA-N 1 3 344.503 2.647 20 0 EFADHO [NH3+]CCC[C@H](NCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000925565580 1296853906 /nfs/dbraw/zinc/85/39/06/1296853906.db2.gz URXXAIZQASKYLZ-SFHVURJKSA-N 1 3 332.469 2.530 20 0 EFADHO COc1ccc(CN(C)Cc2ccccc2N2CC[NH2+]CC2)cc1 ZINC001235403724 1313313348 /nfs/dbraw/zinc/31/33/48/1313313348.db2.gz UBXQYHZFWKHFBE-UHFFFAOYSA-N 1 3 325.456 2.737 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001205561439 1313313361 /nfs/dbraw/zinc/31/33/61/1313313361.db2.gz HZRWLMCOEATVAA-UHFFFAOYSA-N 1 3 329.504 2.685 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235407776 1313314525 /nfs/dbraw/zinc/31/45/25/1313314525.db2.gz TYOBBEOUQQHYEW-NIKGAXFTSA-N 1 3 334.435 2.617 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@]2(C1)CNCC[C@H]2F ZINC001235407776 1313314527 /nfs/dbraw/zinc/31/45/27/1313314527.db2.gz TYOBBEOUQQHYEW-NIKGAXFTSA-N 1 3 334.435 2.617 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235426310 1313319554 /nfs/dbraw/zinc/31/95/54/1313319554.db2.gz JZVLQCGGEPMHNQ-HZPDHXFCSA-N 1 3 334.435 2.824 20 0 EFADHO COc1ccc(Cn2cc(CN3CCC[C@@](F)(C[NH3+])CC3)cn2)cc1 ZINC001205592284 1313319845 /nfs/dbraw/zinc/31/98/45/1313319845.db2.gz RQERZJXOEMDPHZ-IBGZPJMESA-N 1 3 346.450 2.593 20 0 EFADHO CC1(CN2CCN(c3nsc4ccccc43)CC2)CC[NH2+]CC1 ZINC001235432144 1313319886 /nfs/dbraw/zinc/31/98/86/1313319886.db2.gz JSZCQDNHNLKHFQ-UHFFFAOYSA-N 1 3 330.501 2.808 20 0 EFADHO COc1cncc(CN2CCC(COCC[NH+]3CCCC3)CC2)c1C ZINC001235460700 1313328135 /nfs/dbraw/zinc/32/81/35/1313328135.db2.gz PWSIWMRMGHRFLC-UHFFFAOYSA-N 1 3 347.503 2.723 20 0 EFADHO c1cn(-c2cc[nH+]c(-c3ccc(CCN4CCOCC4)cc3)c2)cn1 ZINC001205636559 1313328305 /nfs/dbraw/zinc/32/83/05/1313328305.db2.gz FUSKAYOFNIGZQJ-UHFFFAOYSA-N 1 3 334.423 2.809 20 0 EFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1F ZINC001205685946 1313337706 /nfs/dbraw/zinc/33/77/06/1313337706.db2.gz KCNNAEDMYFMODU-PKOBYXMFSA-N 1 3 349.494 2.706 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477124 1297065628 /nfs/dbraw/zinc/06/56/28/1297065628.db2.gz GYPPNVFOENWZQG-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477124 1297065645 /nfs/dbraw/zinc/06/56/45/1297065645.db2.gz GYPPNVFOENWZQG-OALUTQOASA-N 1 3 347.478 2.651 20 0 EFADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235511314 1313339847 /nfs/dbraw/zinc/33/98/47/1313339847.db2.gz FWJYYDYXFFLSAI-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235511314 1313339850 /nfs/dbraw/zinc/33/98/50/1313339850.db2.gz FWJYYDYXFFLSAI-SJORKVTESA-N 1 3 327.488 2.533 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000960484661 1297086647 /nfs/dbraw/zinc/08/66/47/1297086647.db2.gz AHUIMLYROLLXPI-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000960484661 1297086657 /nfs/dbraw/zinc/08/66/57/1297086657.db2.gz AHUIMLYROLLXPI-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000960485392 1297089987 /nfs/dbraw/zinc/08/99/87/1297089987.db2.gz DNSLEFYANBRWMY-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000960485392 1297089997 /nfs/dbraw/zinc/08/99/97/1297089997.db2.gz DNSLEFYANBRWMY-UXHICEINSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC000960488184 1297096651 /nfs/dbraw/zinc/09/66/51/1297096651.db2.gz PXGXHMYOMFVTGS-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC000960488184 1297096665 /nfs/dbraw/zinc/09/66/65/1297096665.db2.gz PXGXHMYOMFVTGS-IEBWSBKVSA-N 1 3 347.478 2.651 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203325240 1297116982 /nfs/dbraw/zinc/11/69/82/1297116982.db2.gz KUFRVQPXKZLPBO-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO NC[C@]1(O)CCCC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205726847 1313345761 /nfs/dbraw/zinc/34/57/61/1313345761.db2.gz YKMIRIVQSDIBQA-HXUWFJFHSA-N 1 3 326.440 2.735 20 0 EFADHO NC[C@]1(O)CCCC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001205726847 1313345765 /nfs/dbraw/zinc/34/57/65/1313345765.db2.gz YKMIRIVQSDIBQA-HXUWFJFHSA-N 1 3 326.440 2.735 20 0 EFADHO CCOC[C@H]1CN(CCCC[NH3+])Cc2cn(CC3CCCC3)nc21 ZINC001235539131 1313346756 /nfs/dbraw/zinc/34/67/56/1313346756.db2.gz SRDFSWRBPHQFOE-GOSISDBHSA-N 1 3 334.508 2.748 20 0 EFADHO N[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001235548412 1313349070 /nfs/dbraw/zinc/34/90/70/1313349070.db2.gz UNYUKLPDWTVEMA-XRXFAXGQSA-N 1 3 344.499 2.605 20 0 EFADHO N[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001235548412 1313349073 /nfs/dbraw/zinc/34/90/73/1313349073.db2.gz UNYUKLPDWTVEMA-XRXFAXGQSA-N 1 3 344.499 2.605 20 0 EFADHO Cc1ccc2nc(C3CC[NH+](C[C@H](N)Cc4ccccc4)CC3)nn2c1 ZINC001235605284 1313359113 /nfs/dbraw/zinc/35/91/13/1313359113.db2.gz KGPUGWBQJYISHW-LJQANCHMSA-N 1 3 349.482 2.787 20 0 EFADHO COc1cccc(CN(C)Cc2cccc(CN3CC[NH2+]CC3)c2)c1 ZINC001235663800 1313369995 /nfs/dbraw/zinc/36/99/95/1313369995.db2.gz KYJGKNJVZKONDY-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC23CCN(CCC(F)(F)F)CC3)n1 ZINC001202329858 1297340574 /nfs/dbraw/zinc/34/05/74/1297340574.db2.gz WXWZUKRCQJIFPF-UHFFFAOYSA-N 1 3 330.398 2.803 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC23CCN(CCC(F)(F)F)CC3)n1 ZINC001202329858 1297340582 /nfs/dbraw/zinc/34/05/82/1297340582.db2.gz WXWZUKRCQJIFPF-UHFFFAOYSA-N 1 3 330.398 2.803 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)C1 ZINC001049841062 1313372809 /nfs/dbraw/zinc/37/28/09/1313372809.db2.gz QHKDJTPSFUQJJZ-NJAFHUGGSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)C1 ZINC001049841062 1313372813 /nfs/dbraw/zinc/37/28/13/1313372813.db2.gz QHKDJTPSFUQJJZ-NJAFHUGGSA-N 1 3 347.528 2.655 20 0 EFADHO Cc1ccc(O[C@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235689240 1313376199 /nfs/dbraw/zinc/37/61/99/1313376199.db2.gz YZCHPJNNCWXUDT-FQEVSTJZSA-N 1 3 325.456 2.943 20 0 EFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001235694224 1313377697 /nfs/dbraw/zinc/37/76/97/1313377697.db2.gz ADDAXKPPIHSMCJ-AWEZNQCLSA-N 1 3 336.501 2.948 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC000960666232 1297390620 /nfs/dbraw/zinc/39/06/20/1297390620.db2.gz AWWJIFUMHAQNCO-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC000960666232 1297390636 /nfs/dbraw/zinc/39/06/36/1297390636.db2.gz AWWJIFUMHAQNCO-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC000960666321 1297390705 /nfs/dbraw/zinc/39/07/05/1297390705.db2.gz BXPBGJVYJBCTID-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC000960666321 1297390721 /nfs/dbraw/zinc/39/07/21/1297390721.db2.gz BXPBGJVYJBCTID-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC000960667100 1297393856 /nfs/dbraw/zinc/39/38/56/1297393856.db2.gz HBBCVKCCHQXWDE-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC000960667100 1297393872 /nfs/dbraw/zinc/39/38/72/1297393872.db2.gz HBBCVKCCHQXWDE-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Clc1ccc(CO[C@H]2CCC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235709348 1313382306 /nfs/dbraw/zinc/38/23/06/1313382306.db2.gz FGYWBPONSPWRIX-MSOLQXFVSA-N 1 3 338.879 2.700 20 0 EFADHO Clc1ccc(CO[C@H]2CCC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235709348 1313382308 /nfs/dbraw/zinc/38/23/08/1313382308.db2.gz FGYWBPONSPWRIX-MSOLQXFVSA-N 1 3 338.879 2.700 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1)C1CCC1 ZINC000960668449 1297401695 /nfs/dbraw/zinc/40/16/95/1297401695.db2.gz PUVOXOKIRUPMJB-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1)C1CCC1 ZINC000960668449 1297401698 /nfs/dbraw/zinc/40/16/98/1297401698.db2.gz PUVOXOKIRUPMJB-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000960676562 1297408961 /nfs/dbraw/zinc/40/89/61/1297408961.db2.gz CAPXLVHZVYMTOI-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000960676562 1297408966 /nfs/dbraw/zinc/40/89/66/1297408966.db2.gz CAPXLVHZVYMTOI-VQTJNVASSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC000960679636 1297413976 /nfs/dbraw/zinc/41/39/76/1297413976.db2.gz JPJGXTQIHBGPBE-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC000960679636 1297413981 /nfs/dbraw/zinc/41/39/81/1297413981.db2.gz JPJGXTQIHBGPBE-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235725751 1313384505 /nfs/dbraw/zinc/38/45/05/1313384505.db2.gz UJUHAYVVBHKTLZ-PYTPGESOSA-N 1 3 333.520 2.751 20 0 EFADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960684009 1297419638 /nfs/dbraw/zinc/41/96/38/1297419638.db2.gz OQCCLLWBEMVPNI-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960684009 1297419643 /nfs/dbraw/zinc/41/96/43/1297419643.db2.gz OQCCLLWBEMVPNI-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000932634478 1297440462 /nfs/dbraw/zinc/44/04/62/1297440462.db2.gz ABUZWVQHIFEDPZ-IRXDYDNUSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000932634478 1297440469 /nfs/dbraw/zinc/44/04/69/1297440469.db2.gz ABUZWVQHIFEDPZ-IRXDYDNUSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000932634478 1297440477 /nfs/dbraw/zinc/44/04/77/1297440477.db2.gz ABUZWVQHIFEDPZ-IRXDYDNUSA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000932634478 1297440482 /nfs/dbraw/zinc/44/04/82/1297440482.db2.gz ABUZWVQHIFEDPZ-IRXDYDNUSA-N 1 3 345.487 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960708697 1297450286 /nfs/dbraw/zinc/45/02/86/1297450286.db2.gz KAPHCFHPKJZELI-IEBWSBKVSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960708697 1297450297 /nfs/dbraw/zinc/45/02/97/1297450297.db2.gz KAPHCFHPKJZELI-IEBWSBKVSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960709487 1297452473 /nfs/dbraw/zinc/45/24/73/1297452473.db2.gz LSXNFUSVIKIDTG-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960709487 1297452466 /nfs/dbraw/zinc/45/24/66/1297452466.db2.gz LSXNFUSVIKIDTG-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000960711196 1297454487 /nfs/dbraw/zinc/45/44/87/1297454487.db2.gz OUEJXRNWABXXJT-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000960711196 1297454489 /nfs/dbraw/zinc/45/44/89/1297454489.db2.gz OUEJXRNWABXXJT-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO COC(=O)c1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)cc1OC ZINC001235705415 1313381194 /nfs/dbraw/zinc/38/11/94/1313381194.db2.gz IDQJMPUZNNGUIV-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO Cc1cc(C)cc([C@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903902486 1313381721 /nfs/dbraw/zinc/38/17/21/1313381721.db2.gz HOCQPRFXRAUBRS-PKOBYXMFSA-N 1 3 339.487 2.809 20 0 EFADHO Cc1c(Br)cncc1CN1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001206013183 1313391383 /nfs/dbraw/zinc/39/13/83/1313391383.db2.gz PWGUGVBYTVWKEK-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ccc([C@@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903910307 1313397457 /nfs/dbraw/zinc/39/74/57/1313397457.db2.gz LLGRZVMQRARNOZ-MSOLQXFVSA-N 1 3 325.460 2.501 20 0 EFADHO Cc1cc(CN(C)CC2CC[NH+](C)CC2)cnc1Br ZINC001235822930 1313405135 /nfs/dbraw/zinc/40/51/35/1313405135.db2.gz HMQZRIBEYLAGKF-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549013 1313408310 /nfs/dbraw/zinc/40/83/10/1313408310.db2.gz BLZCOOZHSDYKMD-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549013 1313408312 /nfs/dbraw/zinc/40/83/12/1313408312.db2.gz BLZCOOZHSDYKMD-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884297 1313414056 /nfs/dbraw/zinc/41/40/56/1313414056.db2.gz YSMVSNVFTXCYOB-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO COc1ccc(Cl)cc1N1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC001235867420 1313412430 /nfs/dbraw/zinc/41/24/30/1313412430.db2.gz PQCGUBLAMLYTCH-OAHLLOKOSA-N 1 3 337.895 2.860 20 0 EFADHO COc1ccc(Cl)cc1N1CCN(CC2(C)CC[NH2+]CC2)CC1 ZINC001235869002 1313412571 /nfs/dbraw/zinc/41/25/71/1313412571.db2.gz YHHDAIHBMNTGOY-UHFFFAOYSA-N 1 3 337.895 2.860 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165562 1313413574 /nfs/dbraw/zinc/41/35/74/1313413574.db2.gz OCCAIPKWKZGWCY-MOPGFXCFSA-N 1 3 330.451 2.809 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206165562 1313413575 /nfs/dbraw/zinc/41/35/75/1313413575.db2.gz OCCAIPKWKZGWCY-MOPGFXCFSA-N 1 3 330.451 2.809 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001206176671 1313415503 /nfs/dbraw/zinc/41/55/03/1313415503.db2.gz ORNGWHJYFLJHOP-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC000960861742 1297714104 /nfs/dbraw/zinc/71/41/04/1297714104.db2.gz HYNMSOJPNZDMHK-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC000960861742 1297714113 /nfs/dbraw/zinc/71/41/13/1297714113.db2.gz HYNMSOJPNZDMHK-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCN(c2ccc(NC[C@@H]([NH3+])CC(F)F)c(C)c2)CC1 ZINC000903920327 1313418855 /nfs/dbraw/zinc/41/88/55/1313418855.db2.gz STIAQTNGVBJEMK-AWEZNQCLSA-N 1 3 326.435 2.531 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC000960864525 1297719685 /nfs/dbraw/zinc/71/96/85/1297719685.db2.gz OCVSGOXOGMOIAX-CRAIPNDOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC000960864525 1297719697 /nfs/dbraw/zinc/71/96/97/1297719697.db2.gz OCVSGOXOGMOIAX-CRAIPNDOSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000960867358 1297724597 /nfs/dbraw/zinc/72/45/97/1297724597.db2.gz WEQBTDCOSGXYLA-IEBWSBKVSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960867358 1297724599 /nfs/dbraw/zinc/72/45/99/1297724599.db2.gz WEQBTDCOSGXYLA-IEBWSBKVSA-N 1 3 329.488 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960868611 1297726342 /nfs/dbraw/zinc/72/63/42/1297726342.db2.gz KAPHCFHPKJZELI-MJGOQNOKSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960868611 1297726348 /nfs/dbraw/zinc/72/63/48/1297726348.db2.gz KAPHCFHPKJZELI-MJGOQNOKSA-N 1 3 349.494 2.897 20 0 EFADHO c1cnn(Cc2cccc(CNCc3cccc4c3CC[NH2+]C4)c2)c1 ZINC000903925196 1313426748 /nfs/dbraw/zinc/42/67/48/1313426748.db2.gz LRZQPFAECJBHET-UHFFFAOYSA-N 1 3 332.451 2.867 20 0 EFADHO [NH3+][C@H](CNC1CCN(Cc2ccc(F)c(F)c2)CC1)CC(F)F ZINC000903926500 1313428520 /nfs/dbraw/zinc/42/85/20/1313428520.db2.gz TVJSVVCXOHPAJG-LBPRGKRZSA-N 1 3 333.373 2.501 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001488804898 1297764007 /nfs/dbraw/zinc/76/40/07/1297764007.db2.gz NIMWCNZIUNNZFH-HZSPNIEDSA-N 1 3 348.318 2.664 20 0 EFADHO CCN1CCN(c2cccc(NCC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000903927053 1313429069 /nfs/dbraw/zinc/42/90/69/1313429069.db2.gz PLXNMDUAHDTYRV-JLYLLQBASA-N 1 3 328.504 2.771 20 0 EFADHO COc1cccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001235962030 1313423823 /nfs/dbraw/zinc/42/38/23/1313423823.db2.gz INRTWYHFCMYEDA-UHFFFAOYSA-N 1 3 343.515 2.593 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000960909744 1297793544 /nfs/dbraw/zinc/79/35/44/1297793544.db2.gz KAGAAUJAHSEPBU-HTWSVDAQSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000960909744 1297793549 /nfs/dbraw/zinc/79/35/49/1297793549.db2.gz KAGAAUJAHSEPBU-HTWSVDAQSA-N 1 3 332.492 2.701 20 0 EFADHO O=C1CCCN1Cc1ccccc1CNCc1cccc2c1CC[NH2+]C2 ZINC000903922613 1313424200 /nfs/dbraw/zinc/42/42/00/1313424200.db2.gz AQCRAZOSFHJPJZ-UHFFFAOYSA-N 1 3 349.478 2.745 20 0 EFADHO COc1cccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)c1N ZINC001235977065 1313426695 /nfs/dbraw/zinc/42/66/95/1313426695.db2.gz HQOCBDGWHTYALE-UHFFFAOYSA-N 1 3 337.467 2.914 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1)N(C)C ZINC001206302408 1313432566 /nfs/dbraw/zinc/43/25/66/1313432566.db2.gz YKFUPUMMOBVTSZ-AEFFLSMTSA-N 1 3 325.541 2.837 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccccc3SCC)C[C@H]1CNCC2 ZINC001236043065 1313433107 /nfs/dbraw/zinc/43/31/07/1313433107.db2.gz VPJBGYLZBASRFB-VQIMIIECSA-N 1 3 348.512 2.773 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccccc3SCC)C[C@H]1CNCC2 ZINC001236043065 1313433109 /nfs/dbraw/zinc/43/31/09/1313433109.db2.gz VPJBGYLZBASRFB-VQIMIIECSA-N 1 3 348.512 2.773 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC000947616075 1297842522 /nfs/dbraw/zinc/84/25/22/1297842522.db2.gz OPUNKGTXMVRRRK-KBPBESRZSA-N 1 3 349.441 2.782 20 0 EFADHO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000903930043 1313434929 /nfs/dbraw/zinc/43/49/29/1313434929.db2.gz QRWCVBBWJGWZKU-YZGWKJHDSA-N 1 3 339.487 2.971 20 0 EFADHO Cn1nccc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001206338109 1313438394 /nfs/dbraw/zinc/43/83/94/1313438394.db2.gz VJAAGIXRNULABX-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO Cn1nccc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001206338109 1313438397 /nfs/dbraw/zinc/43/83/97/1313438397.db2.gz VJAAGIXRNULABX-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO CCCCOc1ccc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236077859 1313438450 /nfs/dbraw/zinc/43/84/50/1313438450.db2.gz DDGMGGVRQBUBGW-IBGZPJMESA-N 1 3 331.504 2.720 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001049894662 1313447691 /nfs/dbraw/zinc/44/76/91/1313447691.db2.gz GRMYCHXIPSGWNA-FGTMMUONSA-N 1 3 347.528 2.574 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001049894662 1313447692 /nfs/dbraw/zinc/44/76/92/1313447692.db2.gz GRMYCHXIPSGWNA-FGTMMUONSA-N 1 3 347.528 2.574 20 0 EFADHO CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933003 1313440757 /nfs/dbraw/zinc/44/07/57/1313440757.db2.gz XXZOSXQWCHNONE-XYJFISCASA-N 1 3 331.508 2.851 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001236151889 1313447749 /nfs/dbraw/zinc/44/77/49/1313447749.db2.gz IQMFLADRZLDZMP-IHPCNDPISA-N 1 3 345.531 2.943 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001236151889 1313447751 /nfs/dbraw/zinc/44/77/51/1313447751.db2.gz IQMFLADRZLDZMP-IHPCNDPISA-N 1 3 345.531 2.943 20 0 EFADHO CC1(C)CCc2cc(CN3CCC(N4CC[NH2+]CC4)CC3)ccc2O1 ZINC001236127496 1313444783 /nfs/dbraw/zinc/44/47/83/1313444783.db2.gz KCQVHJBDNAUNNC-UHFFFAOYSA-N 1 3 343.515 2.660 20 0 EFADHO Cc1cc(F)cc(CN2CCC([NH+]3CCNCC3)CC2)c1Cl ZINC001236131827 1313445549 /nfs/dbraw/zinc/44/55/49/1313445549.db2.gz GRAIPMLZDBXCJX-UHFFFAOYSA-N 1 3 325.859 2.657 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960981466 1297942903 /nfs/dbraw/zinc/94/29/03/1297942903.db2.gz YPVHBLHMIPPBAY-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960981466 1297942910 /nfs/dbraw/zinc/94/29/10/1297942910.db2.gz YPVHBLHMIPPBAY-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960981465 1297943075 /nfs/dbraw/zinc/94/30/75/1297943075.db2.gz YPVHBLHMIPPBAY-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960981465 1297943084 /nfs/dbraw/zinc/94/30/84/1297943084.db2.gz YPVHBLHMIPPBAY-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](Cc1ccc(C(C)(C)C)cc1)CN1CC(N2CC[NH2+]CC2)C1 ZINC001236158727 1313448790 /nfs/dbraw/zinc/44/87/90/1313448790.db2.gz BSTQCQJGYOUBQX-QGZVFWFLSA-N 1 3 329.532 2.752 20 0 EFADHO CC[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001206411438 1313449464 /nfs/dbraw/zinc/44/94/64/1313449464.db2.gz RVUCIXLCECRKRA-IBGZPJMESA-N 1 3 340.471 2.932 20 0 EFADHO COc1ncc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cn1 ZINC001206418143 1313450775 /nfs/dbraw/zinc/45/07/75/1313450775.db2.gz HETFMBZPADIUIL-UHFFFAOYSA-N 1 3 338.455 2.583 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961026172 1298022767 /nfs/dbraw/zinc/02/27/67/1298022767.db2.gz CUQVILJJOSFWKC-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961026172 1298022779 /nfs/dbraw/zinc/02/27/79/1298022779.db2.gz CUQVILJJOSFWKC-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026230 1298023499 /nfs/dbraw/zinc/02/34/99/1298023499.db2.gz FBTAKCOGHVVPAV-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026230 1298023502 /nfs/dbraw/zinc/02/35/02/1298023502.db2.gz FBTAKCOGHVVPAV-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC000961028981 1298029191 /nfs/dbraw/zinc/02/91/91/1298029191.db2.gz OZNKGIIEKPHSNY-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC000961028981 1298029196 /nfs/dbraw/zinc/02/91/96/1298029196.db2.gz OZNKGIIEKPHSNY-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961029231 1298030842 /nfs/dbraw/zinc/03/08/42/1298030842.db2.gz PZRADGMTSOWBBX-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961029231 1298030849 /nfs/dbraw/zinc/03/08/49/1298030849.db2.gz PZRADGMTSOWBBX-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029723 1298032660 /nfs/dbraw/zinc/03/26/60/1298032660.db2.gz SHFGWWMAQSIXAS-GOSISDBHSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029723 1298032669 /nfs/dbraw/zinc/03/26/69/1298032669.db2.gz SHFGWWMAQSIXAS-GOSISDBHSA-N 1 3 349.906 2.859 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583769 1298034321 /nfs/dbraw/zinc/03/43/21/1298034321.db2.gz ZXIVSFAKJKQTBX-IRXDYDNUSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034610 1298043423 /nfs/dbraw/zinc/04/34/23/1298043423.db2.gz NYZVSSNACVGKJQ-LPHOPBHVSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034610 1298043434 /nfs/dbraw/zinc/04/34/34/1298043434.db2.gz NYZVSSNACVGKJQ-LPHOPBHVSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034612 1298043895 /nfs/dbraw/zinc/04/38/95/1298043895.db2.gz NYZVSSNACVGKJQ-QFBILLFUSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961034612 1298043902 /nfs/dbraw/zinc/04/39/02/1298043902.db2.gz NYZVSSNACVGKJQ-QFBILLFUSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000948775804 1298062541 /nfs/dbraw/zinc/06/25/41/1298062541.db2.gz RHCXPLXZBXOESC-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000948775804 1298062555 /nfs/dbraw/zinc/06/25/55/1298062555.db2.gz RHCXPLXZBXOESC-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001211269648 1314466940 /nfs/dbraw/zinc/46/69/40/1314466940.db2.gz SRTFPEPLXFVGIX-CYBMUJFWSA-N 1 3 343.924 2.822 20 0 EFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cccc2c1CC[NH2+]C2 ZINC001236342179 1313472709 /nfs/dbraw/zinc/47/27/09/1313472709.db2.gz BCTGHMKDFHHMOF-UHFFFAOYSA-N 1 3 338.455 2.838 20 0 EFADHO CCOC(=O)c1cc(CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)c[nH]1 ZINC001236375630 1313474900 /nfs/dbraw/zinc/47/49/00/1313474900.db2.gz LRCDTKBAUBZRCC-HNNXBMFYSA-N 1 3 333.476 2.936 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049913263 1313475082 /nfs/dbraw/zinc/47/50/82/1313475082.db2.gz CUUAQNBUUCRCPW-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049913263 1313475085 /nfs/dbraw/zinc/47/50/85/1313475085.db2.gz CUUAQNBUUCRCPW-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CCOCC[N@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001236459732 1313483047 /nfs/dbraw/zinc/48/30/47/1313483047.db2.gz DMHFZTMNDFMZLD-INIZCTEOSA-N 1 3 348.487 2.684 20 0 EFADHO CCOCC[N@@H+](C[C@@H](C)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001236459732 1313483049 /nfs/dbraw/zinc/48/30/49/1313483049.db2.gz DMHFZTMNDFMZLD-INIZCTEOSA-N 1 3 348.487 2.684 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188370 1298274356 /nfs/dbraw/zinc/27/43/56/1298274356.db2.gz VDVKXEOKQYGPKJ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188370 1298274363 /nfs/dbraw/zinc/27/43/63/1298274363.db2.gz VDVKXEOKQYGPKJ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001206641897 1313487211 /nfs/dbraw/zinc/48/72/11/1313487211.db2.gz ILADMYVJOBIWHD-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)CN(CC)CC)CC1 ZINC001206641952 1313487546 /nfs/dbraw/zinc/48/75/46/1313487546.db2.gz KUTRPDXFGXXXPN-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO Fc1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC001236622969 1313499459 /nfs/dbraw/zinc/49/94/59/1313499459.db2.gz RADBTKOHHILLJK-UHFFFAOYSA-N 1 3 341.430 2.910 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230784 1298373483 /nfs/dbraw/zinc/37/34/83/1298373483.db2.gz LLJCPKVCPNIWIR-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230784 1298373494 /nfs/dbraw/zinc/37/34/94/1298373494.db2.gz LLJCPKVCPNIWIR-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO COc1ccc(O[C@@H]2CCCN(Cc3cccc(C[NH3+])c3)C2)nc1 ZINC001236623465 1313499353 /nfs/dbraw/zinc/49/93/53/1313499353.db2.gz UIPFRSUXJKMVOR-GOSISDBHSA-N 1 3 327.428 2.592 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CCCCCF)CC2)CC1 ZINC001206679245 1313490583 /nfs/dbraw/zinc/49/05/83/1313490583.db2.gz AOBVKJYXNVWHDH-UHFFFAOYSA-N 1 3 341.515 2.686 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236675 1298389500 /nfs/dbraw/zinc/38/95/00/1298389500.db2.gz YIESGPBCEUAGGE-IAGOWNOFSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236675 1298389511 /nfs/dbraw/zinc/38/95/11/1298389511.db2.gz YIESGPBCEUAGGE-IAGOWNOFSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cccc(O[C@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)n1 ZINC001236662184 1313505195 /nfs/dbraw/zinc/50/51/95/1313505195.db2.gz AGPPODHJCVZAFS-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO C[C@@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096603824 1313507464 /nfs/dbraw/zinc/50/74/64/1313507464.db2.gz BWXOFVOLCRFURY-OAOYMFHYSA-N 1 3 347.478 2.831 20 0 EFADHO C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096603824 1313507466 /nfs/dbraw/zinc/50/74/66/1313507466.db2.gz BWXOFVOLCRFURY-OAOYMFHYSA-N 1 3 347.478 2.831 20 0 EFADHO COc1ccccc1CN(Cc1cccc(N)n1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711897 1313516175 /nfs/dbraw/zinc/51/61/75/1313516175.db2.gz WEQOTNFKJHSFOK-SAABIXHNSA-N 1 3 340.471 2.945 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC2CCC2)c1 ZINC001096605000 1313509585 /nfs/dbraw/zinc/50/95/85/1313509585.db2.gz UWFNKEORJLGUIN-AABGKKOBSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CCC2)c1 ZINC001096605000 1313509588 /nfs/dbraw/zinc/50/95/88/1313509588.db2.gz UWFNKEORJLGUIN-AABGKKOBSA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291749 1298507638 /nfs/dbraw/zinc/50/76/38/1298507638.db2.gz IBUXQIGYNQVJJI-MSOLQXFVSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291749 1298507648 /nfs/dbraw/zinc/50/76/48/1298507648.db2.gz IBUXQIGYNQVJJI-MSOLQXFVSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295093 1298515167 /nfs/dbraw/zinc/51/51/67/1298515167.db2.gz XCLWPOLEELQLMO-WOJBJXKFSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000961295093 1298515175 /nfs/dbraw/zinc/51/51/75/1298515175.db2.gz XCLWPOLEELQLMO-WOJBJXKFSA-N 1 3 343.515 2.942 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001276496966 1313520522 /nfs/dbraw/zinc/52/05/22/1313520522.db2.gz OECNXLIVEXSYDR-MUGJNUQGSA-N 1 3 343.515 2.526 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@H]1CCC[N@H+](C)C1 ZINC001276496966 1313520524 /nfs/dbraw/zinc/52/05/24/1313520524.db2.gz OECNXLIVEXSYDR-MUGJNUQGSA-N 1 3 343.515 2.526 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961337367 1298573633 /nfs/dbraw/zinc/57/36/33/1298573633.db2.gz BSMNTOCOMFIOBE-UXHICEINSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961337367 1298573641 /nfs/dbraw/zinc/57/36/41/1298573641.db2.gz BSMNTOCOMFIOBE-UXHICEINSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017766767 1313517830 /nfs/dbraw/zinc/51/78/30/1313517830.db2.gz BUDPFEMYPDNPHV-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903971744 1313518527 /nfs/dbraw/zinc/51/85/27/1313518527.db2.gz CSBYZGQNSPPPNB-YZGWKJHDSA-N 1 3 343.515 2.570 20 0 EFADHO CCc1cccc(F)c1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980159 1313529992 /nfs/dbraw/zinc/52/99/92/1313529992.db2.gz KPHCQQUEPCUHKN-HDICACEKSA-N 1 3 331.479 2.789 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961375844 1298644294 /nfs/dbraw/zinc/64/42/94/1298644294.db2.gz QZSQKQHAERFAPH-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961375844 1298644305 /nfs/dbraw/zinc/64/43/05/1298644305.db2.gz QZSQKQHAERFAPH-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017791230 1313534023 /nfs/dbraw/zinc/53/40/23/1313534023.db2.gz PWWXCALMKXMOBU-CALCHBBNSA-N 1 3 335.536 2.972 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405728 1298700157 /nfs/dbraw/zinc/70/01/57/1298700157.db2.gz LPZYYENLADYPSD-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405728 1298700167 /nfs/dbraw/zinc/70/01/67/1298700167.db2.gz LPZYYENLADYPSD-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC000961412999 1298709460 /nfs/dbraw/zinc/70/94/60/1298709460.db2.gz WMJIRMLGQCQMAN-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC000961412999 1298709470 /nfs/dbraw/zinc/70/94/70/1298709470.db2.gz WMJIRMLGQCQMAN-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961413329 1298709548 /nfs/dbraw/zinc/70/95/48/1298709548.db2.gz YWWUBUOPDWRPCE-AZUAARDMSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961413329 1298709555 /nfs/dbraw/zinc/70/95/55/1298709555.db2.gz YWWUBUOPDWRPCE-AZUAARDMSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCCF)C2)CC1)N(C)C ZINC000961413036 1298710078 /nfs/dbraw/zinc/71/00/78/1298710078.db2.gz XHGHTJSJNZHRBY-ROUUACIJSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCCF)C2)CC1)N(C)C ZINC000961413036 1298710083 /nfs/dbraw/zinc/71/00/83/1298710083.db2.gz XHGHTJSJNZHRBY-ROUUACIJSA-N 1 3 341.515 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001206890179 1313540622 /nfs/dbraw/zinc/54/06/22/1313540622.db2.gz DHDLGCKTSAJGBX-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccccn1 ZINC001490309408 1298751860 /nfs/dbraw/zinc/75/18/60/1298751860.db2.gz JGWDBGVTPLMPSL-MJGOQNOKSA-N 1 3 346.519 2.673 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccccn1 ZINC001490309408 1298751866 /nfs/dbraw/zinc/75/18/66/1298751866.db2.gz JGWDBGVTPLMPSL-MJGOQNOKSA-N 1 3 346.519 2.673 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCCCC(F)(F)F)CC1 ZINC001206928585 1313557620 /nfs/dbraw/zinc/55/76/20/1313557620.db2.gz AQWGOYUYZBDOBC-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO COCCCN(Cc1ccc2c(c1)C(C(C)C)=NCC2)[C@H]1CC[NH2+]C1 ZINC001236949344 1313559974 /nfs/dbraw/zinc/55/99/74/1313559974.db2.gz YQUSUAYYCKFEJJ-IBGZPJMESA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2csc(C)c2)CC1)N(C)C ZINC001490411418 1298890544 /nfs/dbraw/zinc/89/05/44/1298890544.db2.gz UMOIPXURHBFXFU-QGZVFWFLSA-N 1 3 337.533 2.820 20 0 EFADHO CCOC(=O)c1cc(CN2CCC(CC3CC[NH2+]CC3)CC2)c[nH]1 ZINC001236963267 1313561991 /nfs/dbraw/zinc/56/19/91/1313561991.db2.gz YQMBUUWALPYBMD-UHFFFAOYSA-N 1 3 333.476 2.793 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[NH2+]C/C=C\Cl)CC2)c1 ZINC001206949190 1313567097 /nfs/dbraw/zinc/56/70/97/1313567097.db2.gz TWRBTDUIIATGPA-WTKPLQERSA-N 1 3 349.906 2.943 20 0 EFADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206949094 1313567369 /nfs/dbraw/zinc/56/73/69/1313567369.db2.gz PVVITFJVDRRDFV-IBGZPJMESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951221 1313568480 /nfs/dbraw/zinc/56/84/80/1313568480.db2.gz FHPFGMBKJHWCEX-MRXNPFEDSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001206952353 1313569311 /nfs/dbraw/zinc/56/93/11/1313569311.db2.gz LQGCWVUDZKBAPB-JXMROGBWSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001206954247 1313569887 /nfs/dbraw/zinc/56/98/87/1313569887.db2.gz ARXWEJBATRIJSN-MRXNPFEDSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC2CCC(C)CC2)CC1 ZINC001206954788 1313570045 /nfs/dbraw/zinc/57/00/45/1313570045.db2.gz XAEYBRUTMKUBOV-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222289 1299030028 /nfs/dbraw/zinc/03/00/28/1299030028.db2.gz QLRZKOYAROEVLI-IAGOWNOFSA-N 1 3 340.471 2.884 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222289 1299030038 /nfs/dbraw/zinc/03/00/38/1299030038.db2.gz QLRZKOYAROEVLI-IAGOWNOFSA-N 1 3 340.471 2.884 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001490668690 1299065996 /nfs/dbraw/zinc/06/59/96/1299065996.db2.gz RNSZBQWCKXZDNS-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001110615252 1299107243 /nfs/dbraw/zinc/10/72/43/1299107243.db2.gz KUZMRUSNFVVERG-TVFCKZIOSA-N 1 3 341.515 2.824 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110615252 1299107248 /nfs/dbraw/zinc/10/72/48/1299107248.db2.gz KUZMRUSNFVVERG-TVFCKZIOSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCC4CCCCCC4)C[C@H]32)C1 ZINC000961791146 1299115552 /nfs/dbraw/zinc/11/55/52/1299115552.db2.gz SRNXGYQPULBMPH-RBAQFSTRSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CCCCCC4)C[C@H]32)C1 ZINC000961791146 1299115560 /nfs/dbraw/zinc/11/55/60/1299115560.db2.gz SRNXGYQPULBMPH-RBAQFSTRSA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C2CC2)c1 ZINC001490740757 1299177857 /nfs/dbraw/zinc/17/78/57/1299177857.db2.gz FXPPZWBDGDWPQK-MDGVGCGJSA-N 1 3 335.879 2.599 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000961949730 1299265612 /nfs/dbraw/zinc/26/56/12/1299265612.db2.gz WEFQKPULOJLLRZ-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000961949730 1299265626 /nfs/dbraw/zinc/26/56/26/1299265626.db2.gz WEFQKPULOJLLRZ-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000961949733 1299266225 /nfs/dbraw/zinc/26/62/25/1299266225.db2.gz WEFQKPULOJLLRZ-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000961949733 1299266238 /nfs/dbraw/zinc/26/62/38/1299266238.db2.gz WEFQKPULOJLLRZ-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961964536 1299279432 /nfs/dbraw/zinc/27/94/32/1299279432.db2.gz XZDQWAPQELQQJQ-YSHGAJCASA-N 1 3 335.536 2.734 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC000961964536 1299279438 /nfs/dbraw/zinc/27/94/38/1299279438.db2.gz XZDQWAPQELQQJQ-YSHGAJCASA-N 1 3 335.536 2.734 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(CCCn1c3ccccc3[nH]c1=O)CC2 ZINC001278063830 1313610014 /nfs/dbraw/zinc/61/00/14/1313610014.db2.gz DHDZSLUFKQOHGZ-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(CCCn1c3ccccc3[nH]c1=O)CC2 ZINC001278063830 1313610018 /nfs/dbraw/zinc/61/00/18/1313610018.db2.gz DHDZSLUFKQOHGZ-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1cc(N2CCN(Cc3cc[nH]c(=O)c3)CC2)c2ccccc2[nH+]1 ZINC001207119327 1313616171 /nfs/dbraw/zinc/61/61/71/1313616171.db2.gz OZCPWUQQLOQPOY-UHFFFAOYSA-N 1 3 334.423 2.966 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000962306603 1299567717 /nfs/dbraw/zinc/56/77/17/1299567717.db2.gz PHEFRWGLMGQIGD-KLHKWILBSA-N 1 3 333.520 2.535 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000962308235 1299570139 /nfs/dbraw/zinc/57/01/39/1299570139.db2.gz CQGRBGAINVYINK-MNNVXMFVSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCCCCC3)C2)C1 ZINC000962309572 1299572241 /nfs/dbraw/zinc/57/22/41/1299572241.db2.gz NHZRACXOFSCLFK-IVMQYODDSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000962310878 1299573357 /nfs/dbraw/zinc/57/33/57/1299573357.db2.gz CIRHWKCXUQAYRX-UHFFFAOYSA-N 1 3 349.544 2.773 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC000962408190 1299670405 /nfs/dbraw/zinc/67/04/05/1299670405.db2.gz RVGJOHYSQVCOLA-YRWFTTLQSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC000962408190 1299670414 /nfs/dbraw/zinc/67/04/14/1299670414.db2.gz RVGJOHYSQVCOLA-YRWFTTLQSA-N 1 3 344.503 2.668 20 0 EFADHO O=C1OCCN1[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000852443356 1299706066 /nfs/dbraw/zinc/70/60/66/1299706066.db2.gz OCYBEZACNLCRAH-IBGZPJMESA-N 1 3 343.471 2.699 20 0 EFADHO COc1ccc2c(c1)n[nH]c2CN1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001237398226 1313636995 /nfs/dbraw/zinc/63/69/95/1313636995.db2.gz PYRZGCZRRKIFQY-UHFFFAOYSA-N 1 3 337.427 2.597 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2ccc(Cl)c(C)c2)CCC12C[NH2+]C2 ZINC001237428165 1313642523 /nfs/dbraw/zinc/64/25/23/1313642523.db2.gz ATYZHJCZJJDQHE-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(Cl)c2C)CCC12C[NH2+]C2 ZINC001237429658 1313642994 /nfs/dbraw/zinc/64/29/94/1313642994.db2.gz GXPXDJMOQCMQJN-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2scc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237432537 1313643471 /nfs/dbraw/zinc/64/34/71/1313643471.db2.gz YTUXAMMBKWWSRF-LBPRGKRZSA-N 1 3 342.892 2.685 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2Cl)CCC12C[NH2+]C2 ZINC001237436550 1313644204 /nfs/dbraw/zinc/64/42/04/1313644204.db2.gz OXHVEWCOYSLBHD-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CC[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CC1 ZINC000852554438 1299756731 /nfs/dbraw/zinc/75/67/31/1299756731.db2.gz MNVGXFFKWWNQFY-LJQANCHMSA-N 1 3 344.503 2.545 20 0 EFADHO CCOC(=O)Cc1ccc2c(c1)C[N@@H+](CC(C)(C)CN(C)C)CC2 ZINC001207278706 1313650243 /nfs/dbraw/zinc/65/02/43/1313650243.db2.gz CDXGAMMTVXDCQI-UHFFFAOYSA-N 1 3 332.488 2.738 20 0 EFADHO CCOC(=O)Cc1ccc2c(c1)C[N@H+](CC(C)(C)CN(C)C)CC2 ZINC001207278706 1313650246 /nfs/dbraw/zinc/65/02/46/1313650246.db2.gz CDXGAMMTVXDCQI-UHFFFAOYSA-N 1 3 332.488 2.738 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001207280334 1313650923 /nfs/dbraw/zinc/65/09/23/1313650923.db2.gz VJXIVKWGNWOKJK-DNVCBOLYSA-N 1 3 339.524 2.953 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001207280334 1313650926 /nfs/dbraw/zinc/65/09/26/1313650926.db2.gz VJXIVKWGNWOKJK-DNVCBOLYSA-N 1 3 339.524 2.953 20 0 EFADHO CC[N@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)CC(C)(C)CN(C)C ZINC001207283761 1313651676 /nfs/dbraw/zinc/65/16/76/1313651676.db2.gz FCSBDYUBGHRRQZ-HXUWFJFHSA-N 1 3 347.547 2.797 20 0 EFADHO CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCO1)CC(C)(C)CN(C)C ZINC001207283761 1313651678 /nfs/dbraw/zinc/65/16/78/1313651678.db2.gz FCSBDYUBGHRRQZ-HXUWFJFHSA-N 1 3 347.547 2.797 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001207283127 1313651965 /nfs/dbraw/zinc/65/19/65/1313651965.db2.gz SQEXNFAFLDKVMG-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962598337 1299856011 /nfs/dbraw/zinc/85/60/11/1299856011.db2.gz OHQNXIRDZPSEIB-UHFFFAOYSA-N 1 3 332.492 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000962601564 1299860845 /nfs/dbraw/zinc/86/08/45/1299860845.db2.gz JVSHFTDFAQIDMS-RFSCMCKOSA-N 1 3 344.434 2.645 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001207287221 1313652667 /nfs/dbraw/zinc/65/26/67/1313652667.db2.gz ZWXBDXUMUDKVTP-UHFFFAOYSA-N 1 3 343.475 2.899 20 0 EFADHO COC(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000852763068 1299873458 /nfs/dbraw/zinc/87/34/58/1299873458.db2.gz GKOANABXCONPRV-UHFFFAOYSA-N 1 3 345.487 2.993 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018051827 1313659393 /nfs/dbraw/zinc/65/93/93/1313659393.db2.gz JBGYXCNJRSUKMK-YRXWBPOGSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018051827 1313659397 /nfs/dbraw/zinc/65/93/97/1313659397.db2.gz JBGYXCNJRSUKMK-YRXWBPOGSA-N 1 3 333.520 2.725 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2)C1 ZINC000962808666 1300086103 /nfs/dbraw/zinc/08/61/03/1300086103.db2.gz LRVSETNMTKYPPD-SOAGJPPSSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2csc(C)c2)C1 ZINC000962810292 1300087812 /nfs/dbraw/zinc/08/78/12/1300087812.db2.gz XIXIVEVMGYAUCJ-VJFUWPCTSA-N 1 3 349.544 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000962809702 1300088692 /nfs/dbraw/zinc/08/86/92/1300088692.db2.gz RCTFWBOMIMPNNB-NKELODKYSA-N 1 3 347.478 2.685 20 0 EFADHO C[NH+]1CCC(CN2CCO[C@]3(CCCN(c4ccccc4)C3)C2)CC1 ZINC001207396681 1313674457 /nfs/dbraw/zinc/67/44/57/1313674457.db2.gz PZPRYGBMUMOROM-OAQYLSRUSA-N 1 3 343.515 2.700 20 0 EFADHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)Nc3cn[nH]c3)CC2)CC1 ZINC001278125152 1313681351 /nfs/dbraw/zinc/68/13/51/1313681351.db2.gz LOVPDDKNHSREOF-HNNXBMFYSA-N 1 3 347.507 2.571 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(Cc2cn[nH]c2CC)CC1 ZINC001237656809 1313686529 /nfs/dbraw/zinc/68/65/29/1313686529.db2.gz VCOFLTBXKACZIY-UHFFFAOYSA-N 1 3 335.540 2.602 20 0 EFADHO CC(C)OCc1nn(CC2CC2)c2c1CN(CC1CC[NH2+]CC1)CC2 ZINC001207435896 1313683379 /nfs/dbraw/zinc/68/33/79/1313683379.db2.gz ZVURXUOQFOQUFX-UHFFFAOYSA-N 1 3 346.519 2.576 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000963158213 1300378164 /nfs/dbraw/zinc/37/81/64/1300378164.db2.gz URUQXLOIXVGNGX-DAWZGUTISA-N 1 3 335.536 2.876 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000963158211 1300379240 /nfs/dbraw/zinc/37/92/40/1300379240.db2.gz URUQXLOIXVGNGX-ABHNRTSZSA-N 1 3 335.536 2.876 20 0 EFADHO C[NH+]1CCC(CCN2CCN(c3noc4ccccc43)CC2)CC1 ZINC001207479450 1313696088 /nfs/dbraw/zinc/69/60/88/1313696088.db2.gz JBCQCIKUJHBRPD-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(CCC1CC[NH+](C)CC1)[C@@H]2C ZINC001207482837 1313697228 /nfs/dbraw/zinc/69/72/28/1313697228.db2.gz PFHXIKOSSSYYQI-QGZVFWFLSA-N 1 3 347.551 2.832 20 0 EFADHO CC[C@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278133683 1313693921 /nfs/dbraw/zinc/69/39/21/1313693921.db2.gz DIIXHADQGZTWQU-KRWDZBQOSA-N 1 3 333.520 2.607 20 0 EFADHO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306177 1300555087 /nfs/dbraw/zinc/55/50/87/1300555087.db2.gz MRWONPDNRYDYCH-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306177 1300555090 /nfs/dbraw/zinc/55/50/90/1300555090.db2.gz MRWONPDNRYDYCH-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+]1CCC(CCN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207487127 1313698622 /nfs/dbraw/zinc/69/86/22/1313698622.db2.gz QUZCIDCDLSLCKU-CVEARBPZSA-N 1 3 343.487 2.655 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315192 1300580238 /nfs/dbraw/zinc/58/02/38/1300580238.db2.gz RHIZGYLEJVLBHG-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315192 1300580240 /nfs/dbraw/zinc/58/02/40/1300580240.db2.gz RHIZGYLEJVLBHG-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO COc1cc(C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)ccc1-n1ccnc1 ZINC001276539340 1313709607 /nfs/dbraw/zinc/70/96/07/1313709607.db2.gz QZRYKRSREYMNPY-HXUWFJFHSA-N 1 3 340.471 2.799 20 0 EFADHO COc1cc(C[N@H+]2CCC[C@]3(CCN(C)C3)C2)ccc1-n1ccnc1 ZINC001276539340 1313709609 /nfs/dbraw/zinc/70/96/09/1313709609.db2.gz QZRYKRSREYMNPY-HXUWFJFHSA-N 1 3 340.471 2.799 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364986 1300697160 /nfs/dbraw/zinc/69/71/60/1300697160.db2.gz DZGMUECXXXDLPG-SJLPKXTDSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364986 1300697165 /nfs/dbraw/zinc/69/71/65/1300697165.db2.gz DZGMUECXXXDLPG-SJLPKXTDSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364984 1300698015 /nfs/dbraw/zinc/69/80/15/1300698015.db2.gz DZGMUECXXXDLPG-AEFFLSMTSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963364984 1300698022 /nfs/dbraw/zinc/69/80/22/1300698022.db2.gz DZGMUECXXXDLPG-AEFFLSMTSA-N 1 3 330.476 2.621 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384597 1300743131 /nfs/dbraw/zinc/74/31/31/1300743131.db2.gz VNHLQWSFSSNEFS-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384597 1300743134 /nfs/dbraw/zinc/74/31/34/1300743134.db2.gz VNHLQWSFSSNEFS-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)N(C)C ZINC001110694750 1300760484 /nfs/dbraw/zinc/76/04/84/1300760484.db2.gz KMSSVOJSEDZRKR-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)N(C)C ZINC001110694750 1300760492 /nfs/dbraw/zinc/76/04/92/1300760492.db2.gz KMSSVOJSEDZRKR-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(C[C@@H](O)CO4)CC3)cc21 ZINC001237880978 1313725891 /nfs/dbraw/zinc/72/58/91/1313725891.db2.gz LUQIGYSNNFRNOS-GOSISDBHSA-N 1 3 342.483 2.804 20 0 EFADHO CCN1CCN(c2ccc(N[C@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000776806160 1300912954 /nfs/dbraw/zinc/91/29/54/1300912954.db2.gz QJHASQBROYKSBM-QGZVFWFLSA-N 1 3 330.520 2.971 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C)[NH+](C)C ZINC001207641631 1313737774 /nfs/dbraw/zinc/73/77/74/1313737774.db2.gz WQOFGHDUZXHJOD-LZQZEXGQSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207641603 1313737878 /nfs/dbraw/zinc/73/78/78/1313737878.db2.gz VRKBMGNCEUUITA-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207641603 1313737881 /nfs/dbraw/zinc/73/78/81/1313737881.db2.gz VRKBMGNCEUUITA-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001096886292 1313740002 /nfs/dbraw/zinc/74/00/02/1313740002.db2.gz IOOAUESMJGVTAL-KDGYCXHXSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C/c1ccccc1 ZINC001096886292 1313740003 /nfs/dbraw/zinc/74/00/03/1313740003.db2.gz IOOAUESMJGVTAL-KDGYCXHXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/c1ccccc1 ZINC001096886292 1313740004 /nfs/dbraw/zinc/74/00/04/1313740004.db2.gz IOOAUESMJGVTAL-KDGYCXHXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/c1ccccc1 ZINC001096886292 1313740005 /nfs/dbraw/zinc/74/00/05/1313740005.db2.gz IOOAUESMJGVTAL-KDGYCXHXSA-N 1 3 339.483 2.516 20 0 EFADHO C[C@H](C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1)CC(F)(F)F ZINC001278184332 1313755458 /nfs/dbraw/zinc/75/54/58/1313755458.db2.gz MDWZWTSQMJFMQQ-HNNXBMFYSA-N 1 3 344.425 2.869 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001017267866 1301375828 /nfs/dbraw/zinc/37/58/28/1301375828.db2.gz STQYTQOIZHLETK-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001017267866 1301375840 /nfs/dbraw/zinc/37/58/40/1301375840.db2.gz STQYTQOIZHLETK-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)cc1 ZINC001207749574 1313764199 /nfs/dbraw/zinc/76/41/99/1313764199.db2.gz ADOUETISXQDORC-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)cc1 ZINC001207749574 1313764203 /nfs/dbraw/zinc/76/42/03/1313764203.db2.gz ADOUETISXQDORC-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001207750097 1313764606 /nfs/dbraw/zinc/76/46/06/1313764606.db2.gz LEORGOIENBDZPU-QLFBSQMISA-N 1 3 345.478 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)C[C@H]1C ZINC001207750097 1313764609 /nfs/dbraw/zinc/76/46/09/1313764609.db2.gz LEORGOIENBDZPU-QLFBSQMISA-N 1 3 345.478 2.589 20 0 EFADHO C[NH+]1CCC2(CCCN([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000859291022 1301420937 /nfs/dbraw/zinc/42/09/37/1301420937.db2.gz DPVBGYQYBPSSHU-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCC([NH2+]CCF)CC1 ZINC000963901959 1301452553 /nfs/dbraw/zinc/45/25/53/1301452553.db2.gz DTIRAYGLDJGFOK-JMLCCBQJSA-N 1 3 345.478 2.528 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000963954590 1301515149 /nfs/dbraw/zinc/51/51/49/1301515149.db2.gz DUEWAMPBZXFQLP-UHFFFAOYSA-N 1 3 340.471 2.820 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(Br)c1 ZINC000037904532 1301566773 /nfs/dbraw/zinc/56/67/73/1301566773.db2.gz HILSFMKCFDHQMD-BLLLJJGKSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904532 1301566753 /nfs/dbraw/zinc/56/67/53/1301566753.db2.gz HILSFMKCFDHQMD-BLLLJJGKSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904532 1301566767 /nfs/dbraw/zinc/56/67/67/1301566767.db2.gz HILSFMKCFDHQMD-BLLLJJGKSA-N 1 3 339.277 2.556 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207800010 1313777491 /nfs/dbraw/zinc/77/74/91/1313777491.db2.gz KDLNUAKZPZBWCH-RTUSNTFBSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207800010 1313777495 /nfs/dbraw/zinc/77/74/95/1313777495.db2.gz KDLNUAKZPZBWCH-RTUSNTFBSA-N 1 3 335.536 2.900 20 0 EFADHO CC[NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)c1ccc2ccccc2c1 ZINC001278207349 1313789319 /nfs/dbraw/zinc/78/93/19/1313789319.db2.gz PUZPXJMARMQFMK-LJQANCHMSA-N 1 3 336.439 2.881 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C(=O)N3CCCC3)cc1)C2 ZINC000796459663 1301838778 /nfs/dbraw/zinc/83/87/78/1301838778.db2.gz SRTMFJUOOHCAIO-YOFSQIOKSA-N 1 3 341.499 2.980 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C(=O)N3CCCC3)cc1)C2 ZINC000796459663 1301838786 /nfs/dbraw/zinc/83/87/86/1301838786.db2.gz SRTMFJUOOHCAIO-YOFSQIOKSA-N 1 3 341.499 2.980 20 0 EFADHO CC1(C)OC[C@H](C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)O1 ZINC001207931413 1313804714 /nfs/dbraw/zinc/80/47/14/1313804714.db2.gz CNNGFERVBMWANS-SFHVURJKSA-N 1 3 330.472 2.736 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1)N1CCCC1 ZINC001037057326 1302077575 /nfs/dbraw/zinc/07/75/75/1302077575.db2.gz UBTMMZXJKQUDAZ-SJORKVTESA-N 1 3 349.544 2.997 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208014258 1313825099 /nfs/dbraw/zinc/82/50/99/1313825099.db2.gz OGPBWBMBGNEFKQ-UONOGXRCSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208014258 1313825102 /nfs/dbraw/zinc/82/51/02/1313825102.db2.gz OGPBWBMBGNEFKQ-UONOGXRCSA-N 1 3 348.318 2.759 20 0 EFADHO Cc1c([O-])ccc2c(C[NH+]3CCC(CC[NH+](C)C)CC3)cc(=O)oc12 ZINC000118868617 1302330171 /nfs/dbraw/zinc/33/01/71/1302330171.db2.gz TUYCUYJFOFQHGA-UHFFFAOYSA-N 1 3 344.455 2.971 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001208073777 1313840659 /nfs/dbraw/zinc/84/06/59/1313840659.db2.gz OTWAIJOCJRNDTH-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001208073777 1313840662 /nfs/dbraw/zinc/84/06/62/1313840662.db2.gz OTWAIJOCJRNDTH-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208074313 1313841120 /nfs/dbraw/zinc/84/11/20/1313841120.db2.gz UKFQGQAXWKLLKF-XCEWANHASA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001208074313 1313841123 /nfs/dbraw/zinc/84/11/23/1313841123.db2.gz UKFQGQAXWKLLKF-XCEWANHASA-N 1 3 333.520 2.654 20 0 EFADHO C[NH+]1CCC(C)(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208105715 1313847989 /nfs/dbraw/zinc/84/79/89/1313847989.db2.gz BDQNTYXTRMJKBP-UHFFFAOYSA-N 1 3 337.508 2.661 20 0 EFADHO CO[C@@H](CN1CCN(CC2(C)CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001208110359 1313849653 /nfs/dbraw/zinc/84/96/53/1313849653.db2.gz YTGOMFXFOJFAMJ-FQEVSTJZSA-N 1 3 345.531 2.724 20 0 EFADHO CC/C=C\CCCN1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001208134036 1313853826 /nfs/dbraw/zinc/85/38/26/1313853826.db2.gz WGGRIVVQZWBNTG-WAYWQWQTSA-N 1 3 334.508 2.913 20 0 EFADHO C[NH+]1CCC(C)(CN2CCN(c3nccc4occc43)CC2)CC1 ZINC001208113761 1313850527 /nfs/dbraw/zinc/85/05/27/1313850527.db2.gz NXAZZODLQNXYIC-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO C[NH+]1CCC(C)(CN2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001208111093 1313849442 /nfs/dbraw/zinc/84/94/42/1313849442.db2.gz BDODLIKCORABSH-GFCCVEGCSA-N 1 3 346.397 3.000 20 0 EFADHO C[NH+]1CCC(C)(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001208111688 1313849519 /nfs/dbraw/zinc/84/95/19/1313849519.db2.gz MQJDEXXNMLLIOH-UHFFFAOYSA-N 1 3 325.497 2.565 20 0 EFADHO COC(=O)c1ccc2c(C[N@@H+]3CCC[C@]4(CCN(C)C4)C3)c[nH]c2c1 ZINC001276559337 1313857882 /nfs/dbraw/zinc/85/78/82/1313857882.db2.gz VZXDYWZGTCNZSG-HXUWFJFHSA-N 1 3 341.455 2.872 20 0 EFADHO COC(=O)c1ccc2c(C[N@H+]3CCC[C@]4(CCN(C)C4)C3)c[nH]c2c1 ZINC001276559337 1313857885 /nfs/dbraw/zinc/85/78/85/1313857885.db2.gz VZXDYWZGTCNZSG-HXUWFJFHSA-N 1 3 341.455 2.872 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@H]1CCC(C)=C[C@@H]1C)CC2 ZINC001208161766 1313858269 /nfs/dbraw/zinc/85/82/69/1313858269.db2.gz OBRRSRZKLAFDNR-ZWKOTPCHSA-N 1 3 333.520 2.655 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@H]1CCC(C)=C[C@@H]1C)CC2 ZINC001208161766 1313858272 /nfs/dbraw/zinc/85/82/72/1313858272.db2.gz OBRRSRZKLAFDNR-ZWKOTPCHSA-N 1 3 333.520 2.655 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@@H+]1C ZINC001097106345 1313855586 /nfs/dbraw/zinc/85/55/86/1313855586.db2.gz RVGJXAGTZMHFRN-IVDHNXQLSA-N 1 3 341.499 2.638 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@H+]1C ZINC001097106345 1313855590 /nfs/dbraw/zinc/85/55/90/1313855590.db2.gz RVGJXAGTZMHFRN-IVDHNXQLSA-N 1 3 341.499 2.638 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CC[C@H](C)SC)CC2)C1 ZINC001208142246 1313855851 /nfs/dbraw/zinc/85/58/51/1313855851.db2.gz NYAHLVKZWFAPMQ-HOTGVXAUSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CC[C@H](C)SC)CC2)C1 ZINC001208142246 1313855855 /nfs/dbraw/zinc/85/58/55/1313855855.db2.gz NYAHLVKZWFAPMQ-HOTGVXAUSA-N 1 3 342.549 2.868 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172023 1313860395 /nfs/dbraw/zinc/86/03/95/1313860395.db2.gz BCSQDFOWOPXCFJ-KNJMJIDISA-N 1 3 343.519 2.665 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172023 1313860399 /nfs/dbraw/zinc/86/03/99/1313860399.db2.gz BCSQDFOWOPXCFJ-KNJMJIDISA-N 1 3 343.519 2.665 20 0 EFADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CC3(CN(C)C)CCCC3)O2)n1 ZINC001208186271 1313864605 /nfs/dbraw/zinc/86/46/05/1313864605.db2.gz SFSNADOWGCASFE-BRWVUGGUSA-N 1 3 348.491 2.794 20 0 EFADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3CC3(CN(C)C)CCCC3)O2)n1 ZINC001208186271 1313864608 /nfs/dbraw/zinc/86/46/08/1313864608.db2.gz SFSNADOWGCASFE-BRWVUGGUSA-N 1 3 348.491 2.794 20 0 EFADHO CC(C)N1CC2(CC1=O)CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208189669 1313865257 /nfs/dbraw/zinc/86/52/57/1313865257.db2.gz YCCKFFVMGQPVDV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cncnc1OC1CC[NH+](CC2(CN(C)C)CCCC2)CC1 ZINC001208188573 1313865516 /nfs/dbraw/zinc/86/55/16/1313865516.db2.gz JWGPAEUQRSUXRW-UHFFFAOYSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cnc(O[C@@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188798 1313865825 /nfs/dbraw/zinc/86/58/25/1313865825.db2.gz NQOSYARDXFIRIF-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cnc(O[C@@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)nc1 ZINC001208188798 1313865828 /nfs/dbraw/zinc/86/58/28/1313865828.db2.gz NQOSYARDXFIRIF-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO C[NH+](C)CC1(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CCCC1 ZINC001208191233 1313866419 /nfs/dbraw/zinc/86/64/19/1313866419.db2.gz MJRQMIIHHFSDQK-ICSRJNTNSA-N 1 3 336.520 2.768 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000120173292 1303024090 /nfs/dbraw/zinc/02/40/90/1303024090.db2.gz CIVJKYQCGOMISM-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000120173292 1303024093 /nfs/dbraw/zinc/02/40/93/1303024093.db2.gz CIVJKYQCGOMISM-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208279150 1313887185 /nfs/dbraw/zinc/88/71/85/1313887185.db2.gz IWMKFVQHBMBCPL-ZIAGYGMSSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208279150 1313887187 /nfs/dbraw/zinc/88/71/87/1313887187.db2.gz IWMKFVQHBMBCPL-ZIAGYGMSSA-N 1 3 348.318 2.760 20 0 EFADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000965347139 1303145202 /nfs/dbraw/zinc/14/52/02/1303145202.db2.gz KQQDJZJAJDWSJJ-WZXTXQKWSA-N 1 3 335.536 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965348911 1303145839 /nfs/dbraw/zinc/14/58/39/1303145839.db2.gz YSNOOAQYIGAHHV-WZXTXQKWSA-N 1 3 333.520 2.676 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCCc3ccsc3)C2)CCC1 ZINC001208329318 1313901262 /nfs/dbraw/zinc/90/12/62/1313901262.db2.gz SSMMPWMFHGGURH-QGZVFWFLSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CCCc3ccccc3)C2)CCC1 ZINC001208330815 1313901457 /nfs/dbraw/zinc/90/14/57/1313901457.db2.gz GIXWDZITANXUTM-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2N(C)C)C[C@H](C)O1 ZINC000865470841 1303271878 /nfs/dbraw/zinc/27/18/78/1303271878.db2.gz HCGKEIKXNQYSHL-HOTGVXAUSA-N 1 3 337.483 2.871 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641330 1303346197 /nfs/dbraw/zinc/34/61/97/1303346197.db2.gz WFZVHKRPZIYBEL-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641330 1303346203 /nfs/dbraw/zinc/34/62/03/1303346203.db2.gz WFZVHKRPZIYBEL-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641330 1303346210 /nfs/dbraw/zinc/34/62/10/1303346210.db2.gz WFZVHKRPZIYBEL-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](C[NH2+][C@H]2CCN(C)C(C)(C)C2)C1 ZINC000865759790 1303388112 /nfs/dbraw/zinc/38/81/12/1303388112.db2.gz RHVIZJSWZRSIIF-VQTJNVASSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865759790 1303388119 /nfs/dbraw/zinc/38/81/19/1303388119.db2.gz RHVIZJSWZRSIIF-VQTJNVASSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000865759790 1303388124 /nfs/dbraw/zinc/38/81/24/1303388124.db2.gz RHVIZJSWZRSIIF-VQTJNVASSA-N 1 3 345.531 2.658 20 0 EFADHO CC[NH+](CC)CCn1cc(-c2ccc(CN(C)C3CC3)cn2)cn1 ZINC001239201011 1313912232 /nfs/dbraw/zinc/91/22/32/1313912232.db2.gz ZDIAOJKJPZDIFB-UHFFFAOYSA-N 1 3 327.476 2.881 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965933024 1303466995 /nfs/dbraw/zinc/46/69/95/1303466995.db2.gz IVJUTYXVHOBMSW-HRHZULOWSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001208373390 1313913993 /nfs/dbraw/zinc/91/39/93/1313913993.db2.gz JFNLJJZPGDZLDA-PMACEKPBSA-N 1 3 345.531 2.786 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001097219287 1313914296 /nfs/dbraw/zinc/91/42/96/1313914296.db2.gz ZOEIFHXVXURCAZ-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001097219287 1313914299 /nfs/dbraw/zinc/91/42/99/1313914299.db2.gz ZOEIFHXVXURCAZ-YSTOQKLRSA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001208414785 1313924399 /nfs/dbraw/zinc/92/43/99/1313924399.db2.gz XTYVQFDJPYOSPX-WOJBJXKFSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001208447053 1313930419 /nfs/dbraw/zinc/93/04/19/1313930419.db2.gz GQAASYQXCDMJHJ-KRWDZBQOSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001208448045 1313931061 /nfs/dbraw/zinc/93/10/61/1313931061.db2.gz UGYFGIPMUADJJM-IBGZPJMESA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448182 1313931330 /nfs/dbraw/zinc/93/13/30/1313931330.db2.gz WUMOJRGIPCWZFU-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001208453805 1313933239 /nfs/dbraw/zinc/93/32/39/1313933239.db2.gz OPYIYHWZVVAIAJ-SFHVURJKSA-N 1 3 349.494 2.967 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001208453156 1313933299 /nfs/dbraw/zinc/93/32/99/1313933299.db2.gz BHWWRTPESDVEQA-MJGOQNOKSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037856064 1303726675 /nfs/dbraw/zinc/72/66/75/1303726675.db2.gz XHYZRJWLONTHLC-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(CCOc1ccc(/C=C\C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000866660941 1303736172 /nfs/dbraw/zinc/73/61/72/1303736172.db2.gz JDSJOHODBHCJGZ-TWGQIWQCSA-N 1 3 346.471 2.716 20 0 EFADHO CCC[N@H+](CCOc1ccc(/C=C\C(=O)OC)cc1)C1CCNCC1 ZINC000866660941 1303736179 /nfs/dbraw/zinc/73/61/79/1303736179.db2.gz JDSJOHODBHCJGZ-TWGQIWQCSA-N 1 3 346.471 2.716 20 0 EFADHO CCC[N@@H+](CCOc1ccc(/C=C\C(=O)OC)cc1)C1CCNCC1 ZINC000866660941 1303736184 /nfs/dbraw/zinc/73/61/84/1303736184.db2.gz JDSJOHODBHCJGZ-TWGQIWQCSA-N 1 3 346.471 2.716 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496500 1313944068 /nfs/dbraw/zinc/94/40/68/1313944068.db2.gz WIKQDHPJDLUWRR-ZTFGCOKTSA-N 1 3 335.467 2.665 20 0 EFADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208527323 1313952657 /nfs/dbraw/zinc/95/26/57/1313952657.db2.gz KYYBQHQPLHKHKQ-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208527323 1313952658 /nfs/dbraw/zinc/95/26/58/1313952658.db2.gz KYYBQHQPLHKHKQ-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)C1CC1 ZINC001114409001 1304046980 /nfs/dbraw/zinc/04/69/80/1304046980.db2.gz FDJCKWKESZDUJK-MANSERQUSA-N 1 3 347.547 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)C1CC1 ZINC001114409001 1304046990 /nfs/dbraw/zinc/04/69/90/1304046990.db2.gz FDJCKWKESZDUJK-MANSERQUSA-N 1 3 347.547 2.589 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001051348577 1313962331 /nfs/dbraw/zinc/96/23/31/1313962331.db2.gz ZQCRZEFMIZANRB-ATZDWAIDSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-c3cncc(C[NH3+])c3)c(F)c2)CC1 ZINC001239809472 1313965230 /nfs/dbraw/zinc/96/52/30/1313965230.db2.gz SXAHWRVNHYFWMV-UHFFFAOYSA-N 1 3 342.462 2.872 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414663 1304190501 /nfs/dbraw/zinc/19/05/01/1304190501.db2.gz ZFMZJUNOMBQNIO-YOUFYPILSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414663 1304190506 /nfs/dbraw/zinc/19/05/06/1304190506.db2.gz ZFMZJUNOMBQNIO-YOUFYPILSA-N 1 3 341.499 2.668 20 0 EFADHO CC[NH+]1CCC(CN2CCN(C[C@H](OC)c3ccccc3)CC2)CC1 ZINC001208600941 1313973765 /nfs/dbraw/zinc/97/37/65/1313973765.db2.gz GUEXDGKUUUWIIA-NRFANRHFSA-N 1 3 345.531 2.724 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208607313 1313977520 /nfs/dbraw/zinc/97/75/20/1313977520.db2.gz LNRJQWHGPXDKNV-INIZCTEOSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208607313 1313977524 /nfs/dbraw/zinc/97/75/24/1313977524.db2.gz LNRJQWHGPXDKNV-INIZCTEOSA-N 1 3 337.508 2.661 20 0 EFADHO CCN(C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612067 1313980092 /nfs/dbraw/zinc/98/00/92/1313980092.db2.gz AKFCHTGXALTQAE-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CCN(C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612067 1313980096 /nfs/dbraw/zinc/98/00/96/1313980096.db2.gz AKFCHTGXALTQAE-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001208617373 1313981855 /nfs/dbraw/zinc/98/18/55/1313981855.db2.gz NAAOWYMYZLRYIJ-INIZCTEOSA-N 1 3 330.476 2.614 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001208617373 1313981857 /nfs/dbraw/zinc/98/18/57/1313981857.db2.gz NAAOWYMYZLRYIJ-INIZCTEOSA-N 1 3 330.476 2.614 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001018634571 1313982740 /nfs/dbraw/zinc/98/27/40/1313982740.db2.gz LEWYIAFJRHETJI-OALUTQOASA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903185 1304416619 /nfs/dbraw/zinc/41/66/19/1304416619.db2.gz CGTHPHOXXXRNQB-ZWKOTPCHSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001208619606 1313983282 /nfs/dbraw/zinc/98/32/82/1313983282.db2.gz YHXJFNHQLKDMNG-QGZVFWFLSA-N 1 3 344.503 2.923 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC001208619606 1313983284 /nfs/dbraw/zinc/98/32/84/1313983284.db2.gz YHXJFNHQLKDMNG-QGZVFWFLSA-N 1 3 344.503 2.923 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001202526810 1304532448 /nfs/dbraw/zinc/53/24/48/1304532448.db2.gz PVXAHUMNBXXHFJ-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccccc2)CC1)CC(C)(C)C ZINC001202526669 1304537796 /nfs/dbraw/zinc/53/77/96/1304537796.db2.gz NVVVOYBPVWMQMY-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CN1CCN(CC2CC[NH+](C)CC2)CC1)OCc1ccccc1 ZINC001208704302 1313998555 /nfs/dbraw/zinc/99/85/55/1313998555.db2.gz LJNKNCXGLZBFSY-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967206933 1304749688 /nfs/dbraw/zinc/74/96/88/1304749688.db2.gz PRPKKBVFXCDIAJ-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967206933 1304749693 /nfs/dbraw/zinc/74/96/93/1304749693.db2.gz PRPKKBVFXCDIAJ-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967210175 1304751543 /nfs/dbraw/zinc/75/15/43/1304751543.db2.gz VWFNFDLEALFHIP-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967210175 1304751548 /nfs/dbraw/zinc/75/15/48/1304751548.db2.gz VWFNFDLEALFHIP-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001037933098 1304891918 /nfs/dbraw/zinc/89/19/18/1304891918.db2.gz KUUGWLPPDJPMEP-RDTXWAMCSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037934674 1304918679 /nfs/dbraw/zinc/91/86/79/1304918679.db2.gz OMETYBNORCGPGL-WMZOPIPTSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000967423683 1304975507 /nfs/dbraw/zinc/97/55/07/1304975507.db2.gz ICTXREZEODYNJU-APWZRJJASA-N 1 3 349.494 2.591 20 0 EFADHO [O-]c1cccnc1C[NH+]1CCC2(CCC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276591821 1314035882 /nfs/dbraw/zinc/03/58/82/1314035882.db2.gz QJQSVEDKFZZEKV-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO [O-]c1cccnc1C[NH+]1CCC2(CCC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276591821 1314035884 /nfs/dbraw/zinc/03/58/84/1314035884.db2.gz QJQSVEDKFZZEKV-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037949995 1305219978 /nfs/dbraw/zinc/21/99/78/1305219978.db2.gz NNVCVEDWLXOIRF-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037949992 1305220478 /nfs/dbraw/zinc/22/04/78/1305220478.db2.gz NNVCVEDWLXOIRF-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccnc(C(C)(C)C)c1 ZINC001276598136 1314044152 /nfs/dbraw/zinc/04/41/52/1314044152.db2.gz UOZODIINHDOXOX-ROUUACIJSA-N 1 3 330.520 2.589 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccnc(C(C)(C)C)c1 ZINC001276598136 1314044155 /nfs/dbraw/zinc/04/41/55/1314044155.db2.gz UOZODIINHDOXOX-ROUUACIJSA-N 1 3 330.520 2.589 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)C12CCCN1CCC2 ZINC001097431117 1314046806 /nfs/dbraw/zinc/04/68/06/1314046806.db2.gz YQMXVTTVPZTMAH-KURKYZTESA-N 1 3 331.504 2.527 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)C12CCCN1CCC2 ZINC001097431117 1314046811 /nfs/dbraw/zinc/04/68/11/1314046811.db2.gz YQMXVTTVPZTMAH-KURKYZTESA-N 1 3 331.504 2.527 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000967708612 1305343293 /nfs/dbraw/zinc/34/32/93/1305343293.db2.gz MLDJSABZPMXALB-UXHICEINSA-N 1 3 337.467 2.625 20 0 EFADHO COC(=O)N1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932794 1314050403 /nfs/dbraw/zinc/05/04/03/1314050403.db2.gz QBXJKRBRMHFHSN-LJQANCHMSA-N 1 3 345.487 2.673 20 0 EFADHO COC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932794 1314050406 /nfs/dbraw/zinc/05/04/06/1314050406.db2.gz QBXJKRBRMHFHSN-LJQANCHMSA-N 1 3 345.487 2.673 20 0 EFADHO COCCCN1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208940641 1314052833 /nfs/dbraw/zinc/05/28/33/1314052833.db2.gz UGLLMJISKGPWTF-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO COCCCN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208940641 1314052837 /nfs/dbraw/zinc/05/28/37/1314052837.db2.gz UGLLMJISKGPWTF-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965297 1314060131 /nfs/dbraw/zinc/06/01/31/1314060131.db2.gz YFQBQIOZUIVTNX-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965297 1314060132 /nfs/dbraw/zinc/06/01/32/1314060132.db2.gz YFQBQIOZUIVTNX-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037981740 1305581521 /nfs/dbraw/zinc/58/15/21/1305581521.db2.gz GXEYJLAOLAZKEM-IEBWSBKVSA-N 1 3 331.504 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000967926493 1305606981 /nfs/dbraw/zinc/60/69/81/1305606981.db2.gz WYHIHBWWTAGQFE-WBVHZDCISA-N 1 3 343.496 2.686 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cccc(OC)c1 ZINC000870859950 1305634430 /nfs/dbraw/zinc/63/44/30/1305634430.db2.gz BHRQRBBNHMLDTB-IEZWGBDMSA-N 1 3 347.503 2.712 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870892813 1305663439 /nfs/dbraw/zinc/66/34/39/1305663439.db2.gz MKPBHIFGMOQFHG-WGSAOQKQSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000870909766 1305676028 /nfs/dbraw/zinc/67/60/28/1305676028.db2.gz JAYKOALCXOYNBU-IBGZPJMESA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000870909768 1305676337 /nfs/dbraw/zinc/67/63/37/1305676337.db2.gz JAYKOALCXOYNBU-LJQANCHMSA-N 1 3 341.499 2.560 20 0 EFADHO O=C(CC[NH2+]CC1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000870917902 1305681260 /nfs/dbraw/zinc/68/12/60/1305681260.db2.gz AZBUTSOOKXMXLC-LJQANCHMSA-N 1 3 329.488 2.720 20 0 EFADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000870918140 1305681411 /nfs/dbraw/zinc/68/14/11/1305681411.db2.gz DUGARFHTNJZEFE-FHWLQOOXSA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000871187147 1305875841 /nfs/dbraw/zinc/87/58/41/1305875841.db2.gz ABXFYQCATGPZOM-LJQANCHMSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968148497 1305910646 /nfs/dbraw/zinc/91/06/46/1305910646.db2.gz AVHCWVJMIAHJMP-FXAWDEMLSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC[C@@H](C)[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000968155032 1305923325 /nfs/dbraw/zinc/92/33/25/1305923325.db2.gz PUBFGZQOPPVNKZ-XLIONFOSSA-N 1 3 343.515 2.663 20 0 EFADHO CC1CCC(C[NH+]2CC(N(C)C(=O)c3occc3CN(C)C)C2)CC1 ZINC001043666454 1305969096 /nfs/dbraw/zinc/96/90/96/1305969096.db2.gz HEYXHNBQDMHPHK-UHFFFAOYSA-N 1 3 347.503 2.924 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246348801 1314613817 /nfs/dbraw/zinc/61/38/17/1314613817.db2.gz LQUYNJHQAPODEI-VBNZEHGJSA-N 1 3 329.271 2.817 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001017143255 1306004661 /nfs/dbraw/zinc/00/46/61/1306004661.db2.gz VBKWIRBDPMKYPU-ADKAHSJRSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001017143255 1306004674 /nfs/dbraw/zinc/00/46/74/1306004674.db2.gz VBKWIRBDPMKYPU-ADKAHSJRSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001018963242 1314112576 /nfs/dbraw/zinc/11/25/76/1314112576.db2.gz FZRWJOXNPYULOD-INIZCTEOSA-N 1 3 335.879 2.515 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)CCC1 ZINC001018962611 1314112890 /nfs/dbraw/zinc/11/28/90/1314112890.db2.gz HGZVFDLKSFUNRV-LBPRGKRZSA-N 1 3 341.908 2.576 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001018971509 1314117145 /nfs/dbraw/zinc/11/71/45/1314117145.db2.gz DISXNPZVDORPML-HKUYNNGSSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001018971528 1314117293 /nfs/dbraw/zinc/11/72/93/1314117293.db2.gz FFIWDIUVKYTFHP-PBHICJAKSA-N 1 3 333.451 2.562 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CCC1 ZINC001018972948 1314117401 /nfs/dbraw/zinc/11/74/01/1314117401.db2.gz XTWLOKOLHMGEEW-SFHVURJKSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ncccc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276623422 1314126309 /nfs/dbraw/zinc/12/63/09/1314126309.db2.gz VWCJPLSFMREIPH-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ncccc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276623422 1314126311 /nfs/dbraw/zinc/12/63/11/1314126311.db2.gz VWCJPLSFMREIPH-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999563 1314126880 /nfs/dbraw/zinc/12/68/80/1314126880.db2.gz XOGQLVFJDLJBOE-WDSOQIARSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001019000533 1314127045 /nfs/dbraw/zinc/12/70/45/1314127045.db2.gz ALRUKUONQQFGML-HKUYNNGSSA-N 1 3 331.504 2.580 20 0 EFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCOc3ccccc3)C2)C1 ZINC001209296960 1314133430 /nfs/dbraw/zinc/13/34/30/1314133430.db2.gz NJIYJBADNWXYSO-TZIWHRDSSA-N 1 3 344.499 2.746 20 0 EFADHO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCOc3ccccc3)C2)C1 ZINC001209296960 1314133433 /nfs/dbraw/zinc/13/34/33/1314133433.db2.gz NJIYJBADNWXYSO-TZIWHRDSSA-N 1 3 344.499 2.746 20 0 EFADHO COc1ccc(C)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276630836 1314133803 /nfs/dbraw/zinc/13/38/03/1314133803.db2.gz BUKLIAQSIOSZTD-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO COc1ccc(C)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276630836 1314133805 /nfs/dbraw/zinc/13/38/05/1314133805.db2.gz BUKLIAQSIOSZTD-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673206 1306555938 /nfs/dbraw/zinc/55/59/38/1306555938.db2.gz JADVCUKBTMHBRR-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673206 1306555942 /nfs/dbraw/zinc/55/59/42/1306555942.db2.gz JADVCUKBTMHBRR-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674141 1306557531 /nfs/dbraw/zinc/55/75/31/1306557531.db2.gz PLDKEJVFSGNWMD-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674141 1306557534 /nfs/dbraw/zinc/55/75/34/1306557534.db2.gz PLDKEJVFSGNWMD-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001209315570 1314137895 /nfs/dbraw/zinc/13/78/95/1314137895.db2.gz RGLYFBUDPYHWLJ-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680632 1306562876 /nfs/dbraw/zinc/56/28/76/1306562876.db2.gz BYONULMSMHUFNA-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680632 1306562878 /nfs/dbraw/zinc/56/28/78/1306562878.db2.gz BYONULMSMHUFNA-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680631 1306563399 /nfs/dbraw/zinc/56/33/99/1306563399.db2.gz BYONULMSMHUFNA-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680631 1306563402 /nfs/dbraw/zinc/56/34/02/1306563402.db2.gz BYONULMSMHUFNA-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](N[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001209314876 1314137666 /nfs/dbraw/zinc/13/76/66/1314137666.db2.gz MDGFCKWZGBXUEH-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)c1cccc(CN[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001209315564 1314137693 /nfs/dbraw/zinc/13/76/93/1314137693.db2.gz RDBWTEYQABNZAN-SFHVURJKSA-N 1 3 346.519 2.627 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC001019032301 1314142943 /nfs/dbraw/zinc/14/29/43/1314142943.db2.gz PEOUWTWXXXCCKH-CMKODMSKSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001019032463 1314142976 /nfs/dbraw/zinc/14/29/76/1314142976.db2.gz YLNLZBIVJGXNBH-DOPJRALCSA-N 1 3 349.906 2.858 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC[N@@H+]1C ZINC000968864229 1306736002 /nfs/dbraw/zinc/73/60/02/1306736002.db2.gz STJQUTNMIAYCPT-QLFBSQMISA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC[N@H+]1C ZINC000968864229 1306736004 /nfs/dbraw/zinc/73/60/04/1306736004.db2.gz STJQUTNMIAYCPT-QLFBSQMISA-N 1 3 349.441 2.640 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044748185 1306770835 /nfs/dbraw/zinc/77/08/35/1306770835.db2.gz BTQCPOXBDHTPOU-YJBOKZPZSA-N 1 3 340.471 2.684 20 0 EFADHO c1cc(-c2ncnc3c2CCNC3)ccc1OCC[NH+]1CCCCC1 ZINC001241757661 1314146354 /nfs/dbraw/zinc/14/63/54/1314146354.db2.gz DANPKVCPGNXQEL-UHFFFAOYSA-N 1 3 338.455 2.654 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCc3ccccc3Cl)C2)CCC1 ZINC000968904076 1306777322 /nfs/dbraw/zinc/77/73/22/1306777322.db2.gz INHNZBVEYMXFBB-MRXNPFEDSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000968912630 1306786322 /nfs/dbraw/zinc/78/63/22/1306786322.db2.gz NDSRDXRPMQQFKR-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000968916180 1306790816 /nfs/dbraw/zinc/79/08/16/1306790816.db2.gz YKCIPJICGKXMHP-MOPGFXCFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000968916180 1306790823 /nfs/dbraw/zinc/79/08/23/1306790823.db2.gz YKCIPJICGKXMHP-MOPGFXCFSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000968921793 1306798871 /nfs/dbraw/zinc/79/88/71/1306798871.db2.gz JTEPJIALMYQWKH-FUHWJXTLSA-N 1 3 329.488 2.731 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC000968921899 1306798905 /nfs/dbraw/zinc/79/89/05/1306798905.db2.gz MALDGIRETYXIQI-WMLDXEAASA-N 1 3 333.451 2.562 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000968921923 1306799280 /nfs/dbraw/zinc/79/92/80/1306799280.db2.gz NBECXUFIOSAYQR-GOSISDBHSA-N 1 3 343.515 2.787 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044792885 1306805423 /nfs/dbraw/zinc/80/54/23/1306805423.db2.gz MVOTTWNLYLINOI-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)/C=C/c1ccncc1-c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001241772759 1314148290 /nfs/dbraw/zinc/14/82/90/1314148290.db2.gz TZLZMLXXVGSDGE-JLHYYAGUSA-N 1 3 338.455 2.572 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968990151 1306866213 /nfs/dbraw/zinc/86/62/13/1306866213.db2.gz VMLGQZZWTPZLDY-SUMDDJOVSA-N 1 3 347.503 2.533 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000968989989 1306866278 /nfs/dbraw/zinc/86/62/78/1306866278.db2.gz PHHPRHGGLNJTAS-QUCCMNQESA-N 1 3 345.531 2.889 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC000968989205 1306866522 /nfs/dbraw/zinc/86/65/22/1306866522.db2.gz DSRBNCCZDUKXLO-DAYGRLMNSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044857206 1306867810 /nfs/dbraw/zinc/86/78/10/1306867810.db2.gz GFCXSTQDBXCPLH-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC001044857536 1306868116 /nfs/dbraw/zinc/86/81/16/1306868116.db2.gz KSUQTWAGBIUWLJ-YJBOKZPZSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044858852 1306869145 /nfs/dbraw/zinc/86/91/45/1306869145.db2.gz WOQKMRXYCXLKRU-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044859096 1306869660 /nfs/dbraw/zinc/86/96/60/1306869660.db2.gz ZWFFNUYOZOXHAY-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044859053 1306869676 /nfs/dbraw/zinc/86/96/76/1306869676.db2.gz ZIOXIEGFLYSRDN-MOPGFXCFSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044861840 1306872518 /nfs/dbraw/zinc/87/25/18/1306872518.db2.gz GSZYBXOJQBNHLV-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c(C)s1 ZINC001044865087 1306876337 /nfs/dbraw/zinc/87/63/37/1306876337.db2.gz NGPFTBULEJFNLX-RDTXWAMCSA-N 1 3 349.544 2.930 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001044868307 1306879470 /nfs/dbraw/zinc/87/94/70/1306879470.db2.gz SLVARDMJUGJLCI-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN(CCC(C)(C)OC)CC2)C1 ZINC001209402202 1314156274 /nfs/dbraw/zinc/15/62/74/1314156274.db2.gz GBUOJJFUOBZDJW-INIZCTEOSA-N 1 3 340.508 2.541 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN(CCC(C)(C)OC)CC2)C1 ZINC001209402202 1314156277 /nfs/dbraw/zinc/15/62/77/1314156277.db2.gz GBUOJJFUOBZDJW-INIZCTEOSA-N 1 3 340.508 2.541 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CCC(C)(C)OC)CC2)C1 ZINC001209402203 1314156526 /nfs/dbraw/zinc/15/65/26/1314156526.db2.gz GBUOJJFUOBZDJW-MRXNPFEDSA-N 1 3 340.508 2.541 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CCC(C)(C)OC)CC2)C1 ZINC001209402203 1314156527 /nfs/dbraw/zinc/15/65/27/1314156527.db2.gz GBUOJJFUOBZDJW-MRXNPFEDSA-N 1 3 340.508 2.541 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000969074486 1306948734 /nfs/dbraw/zinc/94/87/34/1306948734.db2.gz GJBPFUSWDXHLJD-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC000969074891 1306950375 /nfs/dbraw/zinc/95/03/75/1306950375.db2.gz YNAHDDFYHPTTRT-IEBWSBKVSA-N 1 3 347.503 2.505 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000969077064 1306951001 /nfs/dbraw/zinc/95/10/01/1306951001.db2.gz JXYWLRCSDCVQKR-IEBWSBKVSA-N 1 3 329.488 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001044959660 1306955852 /nfs/dbraw/zinc/95/58/52/1306955852.db2.gz LGUYVAWXRSNWHY-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1sccc1Cl ZINC001044959088 1306955916 /nfs/dbraw/zinc/95/59/16/1306955916.db2.gz ATIYAXOLWGHAEI-JSGCOSHPSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001044958896 1306956416 /nfs/dbraw/zinc/95/64/16/1306956416.db2.gz WMKNFJWXGVCGSS-GXTWGEPZSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001044960397 1306956782 /nfs/dbraw/zinc/95/67/82/1306956782.db2.gz ZUJXXZMCOWLAOO-DLBZAZTESA-N 1 3 335.879 2.515 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cs1 ZINC001045067827 1307031407 /nfs/dbraw/zinc/03/14/07/1307031407.db2.gz AERACNMLQSIACK-INIZCTEOSA-N 1 3 335.517 2.621 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001045067857 1307031835 /nfs/dbraw/zinc/03/18/35/1307031835.db2.gz BPJJTDZYCZXODD-HKUYNNGSSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1F ZINC001045067977 1307031892 /nfs/dbraw/zinc/03/18/92/1307031892.db2.gz XUBXFEDBNAWLQS-PKOBYXMFSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001045070344 1307032624 /nfs/dbraw/zinc/03/26/24/1307032624.db2.gz DQWYGPGYMNXREH-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)C1CCC1 ZINC001045070635 1307034076 /nfs/dbraw/zinc/03/40/76/1307034076.db2.gz OPZJRCQUOKASGK-IBGZPJMESA-N 1 3 347.478 2.721 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](CC)N(C)C)cc1 ZINC001045089924 1307045763 /nfs/dbraw/zinc/04/57/63/1307045763.db2.gz QPVDGZKXHSKHPU-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@@H](CO)c2cccc(Br)c2)CC1 ZINC001254504449 1315710800 /nfs/dbraw/zinc/71/08/00/1315710800.db2.gz BFMLDPAXHNFHEM-CABCVRRESA-N 1 3 327.266 2.556 20 0 EFADHO COC(=O)N1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209447738 1314164159 /nfs/dbraw/zinc/16/41/59/1314164159.db2.gz FOOKGUYPNJQSAF-UHFFFAOYSA-N 1 3 337.508 2.807 20 0 EFADHO COC(=O)[C@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1c1ccc(F)cc1 ZINC001209452291 1314165948 /nfs/dbraw/zinc/16/59/48/1314165948.db2.gz JKLUVNBRJPHVJG-MOPGFXCFSA-N 1 3 348.462 2.890 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1c1ccc(F)cc1 ZINC001209452291 1314165949 /nfs/dbraw/zinc/16/59/49/1314165949.db2.gz JKLUVNBRJPHVJG-MOPGFXCFSA-N 1 3 348.462 2.890 20 0 EFADHO O=C1CCC2(CC[NH+](CCCN3CCCCC3)CC2)N1CC1CC1 ZINC001209451933 1314166054 /nfs/dbraw/zinc/16/60/54/1314166054.db2.gz XEMXFDOJMCGEQP-UHFFFAOYSA-N 1 3 333.520 2.729 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001045187619 1307123320 /nfs/dbraw/zinc/12/33/20/1307123320.db2.gz PFLCGCWIZXGNGQ-PKOBYXMFSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001045187655 1307123482 /nfs/dbraw/zinc/12/34/82/1307123482.db2.gz QXXNIQNNXKRVTR-RBUKOAKNSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001045187271 1307123649 /nfs/dbraw/zinc/12/36/49/1307123649.db2.gz HKUHBXRLSYMUBD-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001045200331 1307135226 /nfs/dbraw/zinc/13/52/26/1307135226.db2.gz UYVQUPNXIZJBIW-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001045200270 1307135338 /nfs/dbraw/zinc/13/53/38/1307135338.db2.gz SBQGDBMOSRALBM-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001045201232 1307136104 /nfs/dbraw/zinc/13/61/04/1307136104.db2.gz YRSYQPMFGLCSBN-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001045200876 1307136167 /nfs/dbraw/zinc/13/61/67/1307136167.db2.gz TVEBWAMIOVTRIM-QAPCUYQASA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001045205746 1307137552 /nfs/dbraw/zinc/13/75/52/1307137552.db2.gz VMDIRAVHVKRLBX-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(CC(=O)C(C)(C)C)CC1 ZINC001255950750 1315884021 /nfs/dbraw/zinc/88/40/21/1315884021.db2.gz KRVRMAFDLDTARS-MRXNPFEDSA-N 1 3 325.541 2.776 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2F)CC1 ZINC001045251174 1307175552 /nfs/dbraw/zinc/17/55/52/1307175552.db2.gz HXQJVUKDOVMMDD-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045273135 1307193261 /nfs/dbraw/zinc/19/32/61/1307193261.db2.gz AOSXGAXKDXQQBF-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045273135 1307193264 /nfs/dbraw/zinc/19/32/64/1307193264.db2.gz AOSXGAXKDXQQBF-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001045310984 1307230348 /nfs/dbraw/zinc/23/03/48/1307230348.db2.gz ZXQPFDYHNAZKSA-INIZCTEOSA-N 1 3 335.879 2.516 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001045309663 1307230570 /nfs/dbraw/zinc/23/05/70/1307230570.db2.gz AVRYRKRVFIYGTC-ZDUSSCGKSA-N 1 3 341.908 2.578 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045312252 1307231402 /nfs/dbraw/zinc/23/14/02/1307231402.db2.gz YSICNMKVMPYXBI-INIZCTEOSA-N 1 3 349.906 2.825 20 0 EFADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(Cl)c1 ZINC001045312268 1307231696 /nfs/dbraw/zinc/23/16/96/1307231696.db2.gz YXYCREXVQAKLKA-IRXDYDNUSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CNC[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC001045312268 1307231700 /nfs/dbraw/zinc/23/17/00/1307231700.db2.gz YXYCREXVQAKLKA-IRXDYDNUSA-N 1 3 349.906 2.681 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)c2ccccc2CN(C)C)C1 ZINC001045321593 1307240221 /nfs/dbraw/zinc/24/02/21/1307240221.db2.gz XLXIUJHLUXFQAM-TVPLGVNVSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001045322592 1307240806 /nfs/dbraw/zinc/24/08/06/1307240806.db2.gz QYSGNEBJMIVSTF-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001045438303 1307338211 /nfs/dbraw/zinc/33/82/11/1307338211.db2.gz OQXNCEPJQGNBIT-ABHNRTSZSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323797 1307366593 /nfs/dbraw/zinc/36/65/93/1307366593.db2.gz CSRQVPSKMNEYEO-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323797 1307366598 /nfs/dbraw/zinc/36/65/98/1307366598.db2.gz CSRQVPSKMNEYEO-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323806 1307366972 /nfs/dbraw/zinc/36/69/72/1307366972.db2.gz CSRQVPSKMNEYEO-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323806 1307366974 /nfs/dbraw/zinc/36/69/74/1307366974.db2.gz CSRQVPSKMNEYEO-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO COCCN(C)Cc1ccnc(-c2ccc(OCC[NH+](C)C)cc2)c1 ZINC001242149952 1314184955 /nfs/dbraw/zinc/18/49/55/1314184955.db2.gz YZAVUEFOSZCVPS-UHFFFAOYSA-N 1 3 343.471 2.767 20 0 EFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001276653455 1314186132 /nfs/dbraw/zinc/18/61/32/1314186132.db2.gz KBOIZHTWXMLSCR-NSHIMCJJSA-N 1 3 335.492 2.649 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC001045556046 1307427392 /nfs/dbraw/zinc/42/73/92/1307427392.db2.gz CURVFPQVTBJTTN-RHSMWYFYSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC001045556046 1307427397 /nfs/dbraw/zinc/42/73/97/1307427397.db2.gz CURVFPQVTBJTTN-RHSMWYFYSA-N 1 3 349.544 2.725 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455784 1307445958 /nfs/dbraw/zinc/44/59/58/1307445958.db2.gz DPCDJMHIJRDYIY-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2C)C1 ZINC001007455784 1307445961 /nfs/dbraw/zinc/44/59/61/1307445961.db2.gz DPCDJMHIJRDYIY-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001007455609 1307445987 /nfs/dbraw/zinc/44/59/87/1307445987.db2.gz CLJQIAFLAFQSMS-AEFFLSMTSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001007455609 1307445990 /nfs/dbraw/zinc/44/59/90/1307445990.db2.gz CLJQIAFLAFQSMS-AEFFLSMTSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001007455618 1307446217 /nfs/dbraw/zinc/44/62/17/1307446217.db2.gz CLJQIAFLAFQSMS-SJLPKXTDSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001007455618 1307446220 /nfs/dbraw/zinc/44/62/20/1307446220.db2.gz CLJQIAFLAFQSMS-SJLPKXTDSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458141 1307447571 /nfs/dbraw/zinc/44/75/71/1307447571.db2.gz VDONWFFXKYJQJQ-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458141 1307447576 /nfs/dbraw/zinc/44/75/76/1307447576.db2.gz VDONWFFXKYJQJQ-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001045638898 1307491192 /nfs/dbraw/zinc/49/11/92/1307491192.db2.gz QNFKXLUHSZSSRZ-AIADIJKESA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001045638898 1307491197 /nfs/dbraw/zinc/49/11/97/1307491197.db2.gz QNFKXLUHSZSSRZ-AIADIJKESA-N 1 3 341.499 2.622 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC2(C)CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001045638900 1307491629 /nfs/dbraw/zinc/49/16/29/1307491629.db2.gz QNFKXLUHSZSSRZ-QBUQCISBSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC2(C)CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001045638900 1307491631 /nfs/dbraw/zinc/49/16/31/1307491631.db2.gz QNFKXLUHSZSSRZ-QBUQCISBSA-N 1 3 341.499 2.622 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(C)(C)CN(C)C ZINC001276654582 1314194151 /nfs/dbraw/zinc/19/41/51/1314194151.db2.gz RGMHEPQOGBNXQO-FHWLQOOXSA-N 1 3 345.531 2.772 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(C)(C)CN(C)C ZINC001276654582 1314194154 /nfs/dbraw/zinc/19/41/54/1314194154.db2.gz RGMHEPQOGBNXQO-FHWLQOOXSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001007649741 1307542004 /nfs/dbraw/zinc/54/20/04/1307542004.db2.gz WZLQEFDLAZTZQT-IAGOWNOFSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001007649741 1307542009 /nfs/dbraw/zinc/54/20/09/1307542009.db2.gz WZLQEFDLAZTZQT-IAGOWNOFSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001007649747 1307542958 /nfs/dbraw/zinc/54/29/58/1307542958.db2.gz WZLQEFDLAZTZQT-IRXDYDNUSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)cs1 ZINC001007649747 1307542961 /nfs/dbraw/zinc/54/29/61/1307542961.db2.gz WZLQEFDLAZTZQT-IRXDYDNUSA-N 1 3 335.517 2.621 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001209641351 1314207024 /nfs/dbraw/zinc/20/70/24/1314207024.db2.gz JARHTDMQXWPYHY-HLQNQHLTSA-N 1 3 345.890 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001209642518 1314207763 /nfs/dbraw/zinc/20/77/63/1314207763.db2.gz OHTGTMBAKDHIPA-HUUCEWRRSA-N 1 3 349.441 2.641 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052419 1307787004 /nfs/dbraw/zinc/78/70/04/1307787004.db2.gz LFQIGFQUOLLJTP-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052419 1307787008 /nfs/dbraw/zinc/78/70/08/1307787008.db2.gz LFQIGFQUOLLJTP-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO O=C(N[C@H]1CCC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008052378 1307787116 /nfs/dbraw/zinc/78/71/16/1307787116.db2.gz KYYGZPUWHJCPBY-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008052378 1307787120 /nfs/dbraw/zinc/78/71/20/1307787120.db2.gz KYYGZPUWHJCPBY-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053194 1307788077 /nfs/dbraw/zinc/78/80/77/1307788077.db2.gz SYHIPCPHTHYBFC-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053194 1307788080 /nfs/dbraw/zinc/78/80/80/1307788080.db2.gz SYHIPCPHTHYBFC-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065070 1307795377 /nfs/dbraw/zinc/79/53/77/1307795377.db2.gz YJZYZUXCTWDETJ-SJLPKXTDSA-N 1 3 349.494 2.733 20 0 EFADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008065067 1307795520 /nfs/dbraw/zinc/79/55/20/1307795520.db2.gz YJZYZUXCTWDETJ-AEFFLSMTSA-N 1 3 349.494 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001209659411 1314211725 /nfs/dbraw/zinc/21/17/25/1314211725.db2.gz DBMNNINGXHJGSZ-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001209669778 1314213667 /nfs/dbraw/zinc/21/36/67/1314213667.db2.gz UFXAQGPICFCUPH-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937888 1307939171 /nfs/dbraw/zinc/93/91/71/1307939171.db2.gz MUQLBUUAKQDGLU-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937888 1307939175 /nfs/dbraw/zinc/93/91/75/1307939175.db2.gz MUQLBUUAKQDGLU-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045941998 1307952786 /nfs/dbraw/zinc/95/27/86/1307952786.db2.gz PTZVFEBFDJFXJA-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045941998 1307952790 /nfs/dbraw/zinc/95/27/90/1307952790.db2.gz PTZVFEBFDJFXJA-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001045942804 1307954817 /nfs/dbraw/zinc/95/48/17/1307954817.db2.gz ACDJMYCCSMOHRU-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001045942804 1307954823 /nfs/dbraw/zinc/95/48/23/1307954823.db2.gz ACDJMYCCSMOHRU-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943453 1307956270 /nfs/dbraw/zinc/95/62/70/1307956270.db2.gz IQMSFBNDFFMRNY-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943453 1307956273 /nfs/dbraw/zinc/95/62/73/1307956273.db2.gz IQMSFBNDFFMRNY-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943164 1307956313 /nfs/dbraw/zinc/95/63/13/1307956313.db2.gz GJRUJZIFGVRHTN-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943164 1307956317 /nfs/dbraw/zinc/95/63/17/1307956317.db2.gz GJRUJZIFGVRHTN-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@H+](CCCF)C3)C2)CCC1 ZINC001045943066 1307957194 /nfs/dbraw/zinc/95/71/94/1307957194.db2.gz FVVYNMYXMLUISP-GOSISDBHSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@@H+](CCCF)C3)C2)CCC1 ZINC001045943066 1307957199 /nfs/dbraw/zinc/95/71/99/1307957199.db2.gz FVVYNMYXMLUISP-GOSISDBHSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944147 1307960242 /nfs/dbraw/zinc/96/02/42/1307960242.db2.gz YOFXUYCPDOAPBS-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944147 1307960248 /nfs/dbraw/zinc/96/02/48/1307960248.db2.gz YOFXUYCPDOAPBS-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045945315 1307964092 /nfs/dbraw/zinc/96/40/92/1307964092.db2.gz QYVZZIVNMNNDKG-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045945315 1307964097 /nfs/dbraw/zinc/96/40/97/1307964097.db2.gz QYVZZIVNMNNDKG-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045945313 1307964284 /nfs/dbraw/zinc/96/42/84/1307964284.db2.gz QYVZZIVNMNNDKG-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045945313 1307964286 /nfs/dbraw/zinc/96/42/86/1307964286.db2.gz QYVZZIVNMNNDKG-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945742 1307965468 /nfs/dbraw/zinc/96/54/68/1307965468.db2.gz YOTPPNMISRHTNR-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945742 1307965470 /nfs/dbraw/zinc/96/54/70/1307965470.db2.gz YOTPPNMISRHTNR-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)CC[N@@H+]1C ZINC001008297700 1307971508 /nfs/dbraw/zinc/97/15/08/1307971508.db2.gz DMGUYLRIBKNIER-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)CC[N@H+]1C ZINC001008297700 1307971511 /nfs/dbraw/zinc/97/15/11/1307971511.db2.gz DMGUYLRIBKNIER-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967385 1308025234 /nfs/dbraw/zinc/02/52/34/1308025234.db2.gz TZOBMBLQIHPJBD-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045967385 1308025238 /nfs/dbraw/zinc/02/52/38/1308025238.db2.gz TZOBMBLQIHPJBD-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969309 1308030573 /nfs/dbraw/zinc/03/05/73/1308030573.db2.gz NXHCFHRKQJYCIM-LJQANCHMSA-N 1 3 330.476 2.623 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969309 1308030576 /nfs/dbraw/zinc/03/05/76/1308030576.db2.gz NXHCFHRKQJYCIM-LJQANCHMSA-N 1 3 330.476 2.623 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969308 1308031481 /nfs/dbraw/zinc/03/14/81/1308031481.db2.gz NXHCFHRKQJYCIM-IBGZPJMESA-N 1 3 330.476 2.623 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045969308 1308031487 /nfs/dbraw/zinc/03/14/87/1308031487.db2.gz NXHCFHRKQJYCIM-IBGZPJMESA-N 1 3 330.476 2.623 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045974140 1308045541 /nfs/dbraw/zinc/04/55/41/1308045541.db2.gz ZDANQDLYYAGDHL-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045974140 1308045547 /nfs/dbraw/zinc/04/55/47/1308045547.db2.gz ZDANQDLYYAGDHL-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO Nc1ccncc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209732759 1314225355 /nfs/dbraw/zinc/22/53/55/1314225355.db2.gz DFZNGWAACRFVHL-RBUKOAKNSA-N 1 3 336.483 2.838 20 0 EFADHO Nc1ccncc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209732759 1314225358 /nfs/dbraw/zinc/22/53/58/1314225358.db2.gz DFZNGWAACRFVHL-RBUKOAKNSA-N 1 3 336.483 2.838 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136451 1308125432 /nfs/dbraw/zinc/12/54/32/1308125432.db2.gz DBJRSHRHQUBRRP-LFGUQSLTSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136451 1308125436 /nfs/dbraw/zinc/12/54/36/1308125436.db2.gz DBJRSHRHQUBRRP-LFGUQSLTSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@H](F)CCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008544065 1308145648 /nfs/dbraw/zinc/14/56/48/1308145648.db2.gz XZHVYNAZFHYKDM-LPHOPBHVSA-N 1 3 349.494 2.733 20 0 EFADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008544073 1308146126 /nfs/dbraw/zinc/14/61/26/1308146126.db2.gz XZHVYNAZFHYKDM-VQIMIIECSA-N 1 3 349.494 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622181 1308301165 /nfs/dbraw/zinc/30/11/65/1308301165.db2.gz IFTZSLOWBZMHDZ-OALUTQOASA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622181 1308301167 /nfs/dbraw/zinc/30/11/67/1308301167.db2.gz IFTZSLOWBZMHDZ-OALUTQOASA-N 1 3 347.547 2.879 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200856 1308427668 /nfs/dbraw/zinc/42/76/68/1308427668.db2.gz HTIJTOQIFCWWTK-ZWKOTPCHSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)C1 ZINC001009200856 1308427670 /nfs/dbraw/zinc/42/76/70/1308427670.db2.gz HTIJTOQIFCWWTK-ZWKOTPCHSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001009223128 1308438006 /nfs/dbraw/zinc/43/80/06/1308438006.db2.gz GDUJZHQDSIQBQH-IEBWSBKVSA-N 1 3 341.499 2.732 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900684947 1308527210 /nfs/dbraw/zinc/52/72/10/1308527210.db2.gz JDZDHFSXUGJJKZ-APWZRJJASA-N 1 3 345.487 2.719 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900684947 1308527217 /nfs/dbraw/zinc/52/72/17/1308527217.db2.gz JDZDHFSXUGJJKZ-APWZRJJASA-N 1 3 345.487 2.719 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001046317166 1308533325 /nfs/dbraw/zinc/53/33/25/1308533325.db2.gz SOEPMUFREHEDNE-QUCCMNQESA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046317166 1308533328 /nfs/dbraw/zinc/53/33/28/1308533328.db2.gz SOEPMUFREHEDNE-QUCCMNQESA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001046318963 1308535688 /nfs/dbraw/zinc/53/56/88/1308535688.db2.gz ZDDWGERUDRXPML-YLJYHZDGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001046318963 1308535691 /nfs/dbraw/zinc/53/56/91/1308535691.db2.gz ZDDWGERUDRXPML-YLJYHZDGSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001046329084 1308545264 /nfs/dbraw/zinc/54/52/64/1308545264.db2.gz LCXMHCZJONIGMD-BJZITVGISA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001046329084 1308545267 /nfs/dbraw/zinc/54/52/67/1308545267.db2.gz LCXMHCZJONIGMD-BJZITVGISA-N 1 3 349.544 2.786 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611020 1308585344 /nfs/dbraw/zinc/58/53/44/1308585344.db2.gz NOUDSKKFAFCSBH-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611020 1308585347 /nfs/dbraw/zinc/58/53/47/1308585347.db2.gz NOUDSKKFAFCSBH-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009612778 1308585428 /nfs/dbraw/zinc/58/54/28/1308585428.db2.gz SFLSPOICGGHJNV-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009612778 1308585433 /nfs/dbraw/zinc/58/54/33/1308585433.db2.gz SFLSPOICGGHJNV-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615012 1308586645 /nfs/dbraw/zinc/58/66/45/1308586645.db2.gz ZMWDJMXSXGLZOM-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615012 1308586647 /nfs/dbraw/zinc/58/66/47/1308586647.db2.gz ZMWDJMXSXGLZOM-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001009626076 1308589796 /nfs/dbraw/zinc/58/97/96/1308589796.db2.gz HXQCKQFMZBSFEQ-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001009626076 1308589798 /nfs/dbraw/zinc/58/97/98/1308589798.db2.gz HXQCKQFMZBSFEQ-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCCCC1 ZINC001096100834 1308724974 /nfs/dbraw/zinc/72/49/74/1308724974.db2.gz ISZVNPFIDXRITH-YSHGAJCASA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCCCC1 ZINC001096100834 1308724975 /nfs/dbraw/zinc/72/49/75/1308724975.db2.gz ISZVNPFIDXRITH-YSHGAJCASA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]C[C@@H]2COCO2)CCN(Cc2ccccc2)C1 ZINC001413224590 1308773028 /nfs/dbraw/zinc/77/30/28/1308773028.db2.gz NWSLHJISPLWGAE-UYAOXDASSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@@H]2COCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001413224590 1308773030 /nfs/dbraw/zinc/77/30/30/1308773030.db2.gz NWSLHJISPLWGAE-UYAOXDASSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@@H]2COCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001413224590 1308773033 /nfs/dbraw/zinc/77/30/33/1308773033.db2.gz NWSLHJISPLWGAE-UYAOXDASSA-N 1 3 332.488 2.887 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001276676430 1314267915 /nfs/dbraw/zinc/26/79/15/1314267915.db2.gz DTMINRHFWONXPZ-LPHOPBHVSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001276676430 1314267918 /nfs/dbraw/zinc/26/79/18/1314267918.db2.gz DTMINRHFWONXPZ-LPHOPBHVSA-N 1 3 337.508 2.804 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562943 1308798089 /nfs/dbraw/zinc/79/80/89/1308798089.db2.gz WNUWOUFSSZNLAB-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046562943 1308798093 /nfs/dbraw/zinc/79/80/93/1308798093.db2.gz WNUWOUFSSZNLAB-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001046570374 1308814317 /nfs/dbraw/zinc/81/43/17/1308814317.db2.gz ZMVDFOUGWWOQNW-HFSMHLIXSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001046570374 1308814323 /nfs/dbraw/zinc/81/43/23/1308814323.db2.gz ZMVDFOUGWWOQNW-HFSMHLIXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210040767 1314274462 /nfs/dbraw/zinc/27/44/62/1314274462.db2.gz MLTWFTUQQQJVCC-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210040767 1314274465 /nfs/dbraw/zinc/27/44/65/1314274465.db2.gz MLTWFTUQQQJVCC-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC(C)=CCN1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618257 1308936823 /nfs/dbraw/zinc/93/68/23/1308936823.db2.gz DAJYPTNPHNGMQB-NRFANRHFSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001019339278 1314281888 /nfs/dbraw/zinc/28/18/88/1314281888.db2.gz XTHARYCPQZDKDB-JCGIZDLHSA-N 1 3 335.467 2.663 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001019342807 1314283642 /nfs/dbraw/zinc/28/36/42/1314283642.db2.gz IWAZZUIUJFBAHL-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001052677135 1314287717 /nfs/dbraw/zinc/28/77/17/1314287717.db2.gz MWECNJWKDHDNIO-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCOCC)C1 ZINC001210181145 1314292235 /nfs/dbraw/zinc/29/22/35/1314292235.db2.gz BUGZPVKQPXQWEG-SFHVURJKSA-N 1 3 341.540 2.506 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210217146 1314296510 /nfs/dbraw/zinc/29/65/10/1314296510.db2.gz DJDGEZXTNNUHCE-KEEQEYLASA-N 1 3 329.488 2.622 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001210217689 1314296886 /nfs/dbraw/zinc/29/68/86/1314296886.db2.gz LJWDQZFAINFZMY-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001210219957 1314297045 /nfs/dbraw/zinc/29/70/45/1314297045.db2.gz VPAGNYMTNDATDN-SJLPKXTDSA-N 1 3 347.503 2.679 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217264 1314297099 /nfs/dbraw/zinc/29/70/99/1314297099.db2.gz FTDMWSIYWFVANZ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001210217220 1314297134 /nfs/dbraw/zinc/29/71/34/1314297134.db2.gz FMWCZTAEDQLRLW-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001210217885 1314297232 /nfs/dbraw/zinc/29/72/32/1314297232.db2.gz NQWHWCSANUPFQJ-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H](NCc2ccccn2)C1)C(C)C ZINC001210190624 1314293334 /nfs/dbraw/zinc/29/33/34/1314293334.db2.gz XMVPPALCHSUZKH-MOPGFXCFSA-N 1 3 346.519 2.529 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001210228119 1314298591 /nfs/dbraw/zinc/29/85/91/1314298591.db2.gz GVNNGSHZWIFMOS-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001210229149 1314298946 /nfs/dbraw/zinc/29/89/46/1314298946.db2.gz MHZXVYRAKDWSJA-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001210230135 1314299114 /nfs/dbraw/zinc/29/91/14/1314299114.db2.gz TYZJSADBQIOGOA-IEBWSBKVSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001019380730 1314302709 /nfs/dbraw/zinc/30/27/09/1314302709.db2.gz KLJMDHBJLBOOKM-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c(C)s1 ZINC001019381689 1314303506 /nfs/dbraw/zinc/30/35/06/1314303506.db2.gz PLUSLABEZFOEEB-KRWDZBQOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)C34CC[NH+](CC3)C4)C2)c(C)s1 ZINC001046777953 1309336810 /nfs/dbraw/zinc/33/68/10/1309336810.db2.gz ZCFRLZKYSQMJGD-GOSISDBHSA-N 1 3 347.528 2.541 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001019386200 1314306404 /nfs/dbraw/zinc/30/64/04/1314306404.db2.gz IKRASQRDNHJPFV-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019386929 1314306953 /nfs/dbraw/zinc/30/69/53/1314306953.db2.gz YTVSAQYEKBZDAJ-AEFFLSMTSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001019394269 1314310190 /nfs/dbraw/zinc/31/01/90/1314310190.db2.gz CRQYPQROZQCABI-XPGWFJOJSA-N 1 3 343.515 2.767 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC001052701442 1314310202 /nfs/dbraw/zinc/31/02/02/1314310202.db2.gz FDURGGSMQLPMJS-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC001052701442 1314310204 /nfs/dbraw/zinc/31/02/04/1314310204.db2.gz FDURGGSMQLPMJS-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001019394509 1314310417 /nfs/dbraw/zinc/31/04/17/1314310417.db2.gz JXNDPHHVBBAIDL-HOTGVXAUSA-N 1 3 339.430 2.655 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC001052701377 1314310463 /nfs/dbraw/zinc/31/04/63/1314310463.db2.gz FDURGGSMQLPMJS-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC001052701377 1314310466 /nfs/dbraw/zinc/31/04/66/1314310466.db2.gz FDURGGSMQLPMJS-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)CC2)C1 ZINC001052701456 1314310825 /nfs/dbraw/zinc/31/08/25/1314310825.db2.gz FHRBYAMZYMSHCN-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)CC2)C1 ZINC001052701456 1314310829 /nfs/dbraw/zinc/31/08/29/1314310829.db2.gz FHRBYAMZYMSHCN-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001019394694 1314310900 /nfs/dbraw/zinc/31/09/00/1314310900.db2.gz NEAOFQFTJDXSGW-OALUTQOASA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105513 1309476316 /nfs/dbraw/zinc/47/63/16/1309476316.db2.gz NRRITIZUIYXCLV-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000901105513 1309476320 /nfs/dbraw/zinc/47/63/20/1309476320.db2.gz NRRITIZUIYXCLV-HSALFYBXSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001052712066 1314317228 /nfs/dbraw/zinc/31/72/28/1314317228.db2.gz DKSOYDMBGSYBPD-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001052712066 1314317232 /nfs/dbraw/zinc/31/72/32/1314317232.db2.gz DKSOYDMBGSYBPD-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001052712280 1314318413 /nfs/dbraw/zinc/31/84/13/1314318413.db2.gz GNUNPVVHKINNFM-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001052712280 1314318417 /nfs/dbraw/zinc/31/84/17/1314318417.db2.gz GNUNPVVHKINNFM-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052712604 1314318994 /nfs/dbraw/zinc/31/89/94/1314318994.db2.gz LJHQYNLUXXDJEU-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052712604 1314318998 /nfs/dbraw/zinc/31/89/98/1314318998.db2.gz LJHQYNLUXXDJEU-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001052712396 1314319269 /nfs/dbraw/zinc/31/92/69/1314319269.db2.gz HWYTYCLENDIUGT-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001052712396 1314319270 /nfs/dbraw/zinc/31/92/70/1314319270.db2.gz HWYTYCLENDIUGT-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853423 1309527282 /nfs/dbraw/zinc/52/72/82/1309527282.db2.gz YOYIJCLGYNSXPJ-FQEVSTJZSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853423 1309527286 /nfs/dbraw/zinc/52/72/86/1309527286.db2.gz YOYIJCLGYNSXPJ-FQEVSTJZSA-N 1 3 329.488 2.909 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711883 1314317694 /nfs/dbraw/zinc/31/76/94/1314317694.db2.gz APSVWTNIBHFMLJ-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711883 1314317698 /nfs/dbraw/zinc/31/76/98/1314317698.db2.gz APSVWTNIBHFMLJ-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046938146 1309718394 /nfs/dbraw/zinc/71/83/94/1309718394.db2.gz ORXGPWHQPLQRMG-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046938146 1309718397 /nfs/dbraw/zinc/71/83/97/1309718397.db2.gz ORXGPWHQPLQRMG-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046945731 1309736539 /nfs/dbraw/zinc/73/65/39/1309736539.db2.gz QMEGQOFIOIWKKP-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046945731 1309736543 /nfs/dbraw/zinc/73/65/43/1309736543.db2.gz QMEGQOFIOIWKKP-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964335 1309785985 /nfs/dbraw/zinc/78/59/85/1309785985.db2.gz PQGHSKVGGDNMAC-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964335 1309785990 /nfs/dbraw/zinc/78/59/90/1309785990.db2.gz PQGHSKVGGDNMAC-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001210502729 1314344030 /nfs/dbraw/zinc/34/40/30/1314344030.db2.gz JOVSEJZRWPIESM-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@@H](C)c2ccccc2F)C1 ZINC001210502729 1314344032 /nfs/dbraw/zinc/34/40/32/1314344032.db2.gz JOVSEJZRWPIESM-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001210502725 1314344116 /nfs/dbraw/zinc/34/41/16/1314344116.db2.gz JOVSEJZRWPIESM-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001210502725 1314344120 /nfs/dbraw/zinc/34/41/20/1314344120.db2.gz JOVSEJZRWPIESM-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046995636 1309881271 /nfs/dbraw/zinc/88/12/71/1309881271.db2.gz QNSAHKCVYGSBSV-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046995636 1309881281 /nfs/dbraw/zinc/88/12/81/1309881281.db2.gz QNSAHKCVYGSBSV-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001210494312 1314342897 /nfs/dbraw/zinc/34/28/97/1314342897.db2.gz UPTJTOPQBGPSDD-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2sccc2Cl)C1 ZINC001210494312 1314342900 /nfs/dbraw/zinc/34/29/00/1314342900.db2.gz UPTJTOPQBGPSDD-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001019465865 1314353151 /nfs/dbraw/zinc/35/31/51/1314353151.db2.gz LIUZNTYAOVOQLZ-WMZOPIPTSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCC[N@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764104 1314357807 /nfs/dbraw/zinc/35/78/07/1314357807.db2.gz MNTCPLDOORNHQQ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764104 1314357809 /nfs/dbraw/zinc/35/78/09/1314357809.db2.gz MNTCPLDOORNHQQ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001047189986 1310277951 /nfs/dbraw/zinc/27/79/51/1310277951.db2.gz ITLCMZFHGSOVKE-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC001047189986 1310277955 /nfs/dbraw/zinc/27/79/55/1310277955.db2.gz ITLCMZFHGSOVKE-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCC1)C2 ZINC001047190468 1310278696 /nfs/dbraw/zinc/27/86/96/1310278696.db2.gz PXTNLFZAPPBEJP-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCC1)C2 ZINC001047190468 1310278705 /nfs/dbraw/zinc/27/87/05/1310278705.db2.gz PXTNLFZAPPBEJP-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244700 1310401720 /nfs/dbraw/zinc/40/17/20/1310401720.db2.gz UVESRQTULRPRPU-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047245591 1310404199 /nfs/dbraw/zinc/40/41/99/1310404199.db2.gz ZYKCVOCLZMOCCT-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c(C)s1 ZINC001019560459 1314383843 /nfs/dbraw/zinc/38/38/43/1314383843.db2.gz HMTWQAQAIBRPIC-SFHVURJKSA-N 1 3 349.544 2.787 20 0 EFADHO CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001047253914 1310425033 /nfs/dbraw/zinc/42/50/33/1310425033.db2.gz JZURBFBVNUJGIY-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254710 1310426747 /nfs/dbraw/zinc/42/67/47/1310426747.db2.gz QYTRNEGAPPRPIM-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001047255397 1310428066 /nfs/dbraw/zinc/42/80/66/1310428066.db2.gz YTUBKXUVKWXPJF-RTBURBONSA-N 1 3 337.552 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047255457 1310428095 /nfs/dbraw/zinc/42/80/95/1310428095.db2.gz AIGQKEQCMIWEIW-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C2CC[NH+](C(C)C)CC2)C1)N(C)C ZINC001047255396 1310428434 /nfs/dbraw/zinc/42/84/34/1310428434.db2.gz YTUBKXUVKWXPJF-RBUKOAKNSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001047255870 1310429463 /nfs/dbraw/zinc/42/94/63/1310429463.db2.gz FLGLGGZCUYNCKC-XLIONFOSSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001047257113 1310431782 /nfs/dbraw/zinc/43/17/82/1310431782.db2.gz PBTPBSSFLRCOGN-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CCCF)CC2)C1)N(C)C ZINC001047257808 1310434319 /nfs/dbraw/zinc/43/43/19/1310434319.db2.gz UMXFWULMJUUAOB-MSOLQXFVSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259000 1310436916 /nfs/dbraw/zinc/43/69/16/1310436916.db2.gz JEIJEJGTTIVFIB-AEFFLSMTSA-N 1 3 346.519 2.949 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001047259978 1310439632 /nfs/dbraw/zinc/43/96/32/1310439632.db2.gz WATQMWGIJJVUTR-SFHVURJKSA-N 1 3 344.503 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001210782958 1314387238 /nfs/dbraw/zinc/38/72/38/1314387238.db2.gz QZKSDHCGNDZULT-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001210790195 1314388940 /nfs/dbraw/zinc/38/89/40/1314388940.db2.gz VZIAKHJQEKGECG-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210810852 1314391976 /nfs/dbraw/zinc/39/19/76/1314391976.db2.gz FLUFZVFSWCSERP-QZTJIDSGSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001210811341 1314392041 /nfs/dbraw/zinc/39/20/41/1314392041.db2.gz MBBBIYNWMHLQLI-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001210811515 1314392514 /nfs/dbraw/zinc/39/25/14/1314392514.db2.gz PCMNRVSUJSNTIZ-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210812427 1314392564 /nfs/dbraw/zinc/39/25/64/1314392564.db2.gz ZYGULOSUZLLKPY-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001210811454 1314392693 /nfs/dbraw/zinc/39/26/93/1314392693.db2.gz OEQJGJVXXUDFJE-UYAOXDASSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2CC)C1 ZINC001210811363 1314392708 /nfs/dbraw/zinc/39/27/08/1314392708.db2.gz MUKXBCJHNVLSTI-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(C/C=C\Cl)CC2)CC1 ZINC001052837545 1314408722 /nfs/dbraw/zinc/40/87/22/1314408722.db2.gz QVILORABHAIMFY-INDRUJQFSA-N 1 3 341.927 2.830 20 0 EFADHO Cc1cccc(F)c1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276691711 1314411165 /nfs/dbraw/zinc/41/11/65/1314411165.db2.gz CKQKROTWTNAENF-FQEVSTJZSA-N 1 3 333.495 2.984 20 0 EFADHO Cc1cccc(F)c1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276691711 1314411166 /nfs/dbraw/zinc/41/11/66/1314411166.db2.gz CKQKROTWTNAENF-FQEVSTJZSA-N 1 3 333.495 2.984 20 0 EFADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C4CC4)cc3)C[C@H]21 ZINC001221791437 1311032743 /nfs/dbraw/zinc/03/27/43/1311032743.db2.gz KYCKJQMBNGBTRR-WOJBJXKFSA-N 1 3 341.499 2.548 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221812109 1311036320 /nfs/dbraw/zinc/03/63/20/1311036320.db2.gz ZCXAVDYMESUADD-LGQRHUESSA-N 1 3 335.536 2.996 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848224 1311042375 /nfs/dbraw/zinc/04/23/75/1311042375.db2.gz FHAKRPURFNLLLW-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848224 1311042378 /nfs/dbraw/zinc/04/23/78/1311042378.db2.gz FHAKRPURFNLLLW-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ncc(F)cc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276826057 1311052828 /nfs/dbraw/zinc/05/28/28/1311052828.db2.gz GBHFZTGWYKWBCO-MOPGFXCFSA-N 1 3 334.483 2.615 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001221919404 1311054043 /nfs/dbraw/zinc/05/40/43/1311054043.db2.gz MTBNQIVSHFEOHR-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001221919404 1311054046 /nfs/dbraw/zinc/05/40/46/1311054046.db2.gz MTBNQIVSHFEOHR-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222086353 1311081993 /nfs/dbraw/zinc/08/19/93/1311081993.db2.gz DYUYAWKCFPYGQZ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317960 1311083448 /nfs/dbraw/zinc/08/34/48/1311083448.db2.gz YRIRSWMUYMAXMN-RBSFLKMASA-N 1 3 349.441 2.638 20 0 EFADHO c1nc(CN2CCCC3(CCCC[NH2+]C3)CCC2)cc2c1OCCO2 ZINC001222114419 1311086678 /nfs/dbraw/zinc/08/66/78/1311086678.db2.gz XKAOUPCNVDDIFZ-UHFFFAOYSA-N 1 3 345.487 2.989 20 0 EFADHO c1cc2c(nc1CN1CCCC3(CCCC[NH2+]C3)CCC1)OCCO2 ZINC001222120444 1311086981 /nfs/dbraw/zinc/08/69/81/1311086981.db2.gz ZASAVENPUZPTTP-UHFFFAOYSA-N 1 3 345.487 2.989 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]1CNCCC2 ZINC001222125765 1311088710 /nfs/dbraw/zinc/08/87/10/1311088710.db2.gz VFPVAFFNUDWCDH-JPLJXNOCSA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@@H]3CCC(C)=C[C@@H]3C)C[C@@H]1CNCCC2 ZINC001222125765 1311088713 /nfs/dbraw/zinc/08/87/13/1311088713.db2.gz VFPVAFFNUDWCDH-JPLJXNOCSA-N 1 3 334.504 2.844 20 0 EFADHO C(c1nc2c(s1)CNCC2)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222173239 1311095223 /nfs/dbraw/zinc/09/52/23/1311095223.db2.gz RSQGNSAQSJDEFF-SFHVURJKSA-N 1 3 334.533 2.535 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001099527318 1311100589 /nfs/dbraw/zinc/10/05/89/1311100589.db2.gz DKACPACRLQIZBL-WNHJNPCNSA-N 1 3 344.503 2.701 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001099527318 1311100590 /nfs/dbraw/zinc/10/05/90/1311100590.db2.gz DKACPACRLQIZBL-WNHJNPCNSA-N 1 3 344.503 2.701 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222258738 1311106560 /nfs/dbraw/zinc/10/65/60/1311106560.db2.gz GLYXWHAPYHTOOG-GOSISDBHSA-N 1 3 325.497 2.757 20 0 EFADHO CC(C)COc1ccc(CN2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400784 1311125123 /nfs/dbraw/zinc/12/51/23/1311125123.db2.gz HQDJICCTEIQOJH-UHFFFAOYSA-N 1 3 332.488 2.923 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(CCC[NH2+]C3)CC2)c1C ZINC001222453343 1311134857 /nfs/dbraw/zinc/13/48/57/1311134857.db2.gz XUUOKMZSLZUUIG-UHFFFAOYSA-N 1 3 333.476 2.774 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222453355 1311135075 /nfs/dbraw/zinc/13/50/75/1311135075.db2.gz YNMSVDUEFVTKSG-UHFFFAOYSA-N 1 3 341.455 2.920 20 0 EFADHO COc1cc(CN2CCC(F)(C[NH3+])CC2)ccc1OC(F)(F)F ZINC001222553555 1311151868 /nfs/dbraw/zinc/15/18/68/1311151868.db2.gz WRYQTNMIJMAINW-UHFFFAOYSA-N 1 3 336.329 2.857 20 0 EFADHO OCCCC[N@@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574811 1311154650 /nfs/dbraw/zinc/15/46/50/1311154650.db2.gz KCNNAPGATCOKCF-IBGZPJMESA-N 1 3 332.488 2.562 20 0 EFADHO OCCCC[N@H+]1[C@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574811 1311154653 /nfs/dbraw/zinc/15/46/53/1311154653.db2.gz KCNNAPGATCOKCF-IBGZPJMESA-N 1 3 332.488 2.562 20 0 EFADHO Clc1ccc([C@@H]2C[C@H]2CN2CC[NH2+]C[C@@]3(CCCCN3)C2)cc1 ZINC001222667615 1311169684 /nfs/dbraw/zinc/16/96/84/1311169684.db2.gz FWHHEHYMIIFFFU-WDSOQIARSA-N 1 3 333.907 2.861 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222817219 1311188356 /nfs/dbraw/zinc/18/83/56/1311188356.db2.gz JXTZQEYJGRGUJT-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3CCC)C[C@@H]21 ZINC001222817219 1311188358 /nfs/dbraw/zinc/18/83/58/1311188358.db2.gz JXTZQEYJGRGUJT-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001276873663 1311232166 /nfs/dbraw/zinc/23/21/66/1311232166.db2.gz ZESCRVUGVRZWJQ-UHFFFAOYSA-N 1 3 328.504 2.990 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(Cc1ccc(N3CCCCC3)nc1)CC2 ZINC001276873663 1311232169 /nfs/dbraw/zinc/23/21/69/1311232169.db2.gz ZESCRVUGVRZWJQ-UHFFFAOYSA-N 1 3 328.504 2.990 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865890 1311238779 /nfs/dbraw/zinc/23/87/79/1311238779.db2.gz VUMDNZZTXFJCFX-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001047866918 1311239076 /nfs/dbraw/zinc/23/90/76/1311239076.db2.gz FQTVVRZUHVEJGZ-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866700 1311239232 /nfs/dbraw/zinc/23/92/32/1311239232.db2.gz DDACBGHHXJHVBQ-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868338 1311240282 /nfs/dbraw/zinc/24/02/82/1311240282.db2.gz NUBZDISPBMRXNP-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867958 1311240550 /nfs/dbraw/zinc/24/05/50/1311240550.db2.gz LMHKIRHKYNYQSK-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(CN2CC[C@@H]3CCN(C(=O)CC[NH+](C)C)C[C@@H]32)cc1F ZINC001223439001 1311260959 /nfs/dbraw/zinc/26/09/59/1311260959.db2.gz LWTDJIDHGYRVSE-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC001223472663 1311264899 /nfs/dbraw/zinc/26/48/99/1311264899.db2.gz RSRPDORQZORNKF-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N(CC)CC ZINC001223489257 1311267860 /nfs/dbraw/zinc/26/78/60/1311267860.db2.gz LDXUDNOAEJICTQ-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N(CC)CC ZINC001223489257 1311267863 /nfs/dbraw/zinc/26/78/63/1311267863.db2.gz LDXUDNOAEJICTQ-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001223524517 1311272480 /nfs/dbraw/zinc/27/24/80/1311272480.db2.gz HNHFDMYIUYYVHA-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102070964 1311277277 /nfs/dbraw/zinc/27/72/77/1311277277.db2.gz YICZUBQIFQGJEM-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)C2)cc1 ZINC001102070964 1311277280 /nfs/dbraw/zinc/27/72/80/1311277280.db2.gz YICZUBQIFQGJEM-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC001223598117 1311280739 /nfs/dbraw/zinc/28/07/39/1311280739.db2.gz WZJRAMVMIGLKQB-VQIMIIECSA-N 1 3 331.504 2.916 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001223604949 1311280973 /nfs/dbraw/zinc/28/09/73/1311280973.db2.gz OVWDJVMNSBNNLD-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102524999 1311315538 /nfs/dbraw/zinc/31/55/38/1311315538.db2.gz HJLOMZMUOFRFSS-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001102524999 1311315542 /nfs/dbraw/zinc/31/55/42/1311315542.db2.gz HJLOMZMUOFRFSS-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001223669566 1311289358 /nfs/dbraw/zinc/28/93/58/1311289358.db2.gz UQYZCQLBJZVUQR-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C)N(C)C ZINC001102377687 1311306252 /nfs/dbraw/zinc/30/62/52/1311306252.db2.gz CFMLQWVGPUGONB-QRQLOZEOSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C)N(C)C ZINC001102377687 1311306256 /nfs/dbraw/zinc/30/62/56/1311306256.db2.gz CFMLQWVGPUGONB-QRQLOZEOSA-N 1 3 331.504 2.519 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430218 1311309461 /nfs/dbraw/zinc/30/94/61/1311309461.db2.gz JHFQYHQSYJRHHL-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430218 1311309462 /nfs/dbraw/zinc/30/94/62/1311309462.db2.gz JHFQYHQSYJRHHL-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2csc(C)c2)C[C@H]1C ZINC001102525258 1311315478 /nfs/dbraw/zinc/31/54/78/1311315478.db2.gz SZCJQJLEQJFHPA-RHSMWYFYSA-N 1 3 337.533 2.582 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2csc(C)c2)C[C@H]1C ZINC001102525258 1311315481 /nfs/dbraw/zinc/31/54/81/1311315481.db2.gz SZCJQJLEQJFHPA-RHSMWYFYSA-N 1 3 337.533 2.582 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2CC)C[C@H]1C ZINC001102524893 1311316253 /nfs/dbraw/zinc/31/62/53/1311316253.db2.gz CDBOABFZUQFBSY-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2CC)C[C@H]1C ZINC001102524893 1311316254 /nfs/dbraw/zinc/31/62/54/1311316254.db2.gz CDBOABFZUQFBSY-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C ZINC001102524731 1311316264 /nfs/dbraw/zinc/31/62/64/1311316264.db2.gz TXJPNUHNDMDWDC-FFQNAWCLSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C ZINC001102524731 1311316267 /nfs/dbraw/zinc/31/62/67/1311316267.db2.gz TXJPNUHNDMDWDC-FFQNAWCLSA-N 1 3 343.515 2.726 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001102524833 1311316447 /nfs/dbraw/zinc/31/64/47/1311316447.db2.gz ZAZOMCGQTUYDRJ-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1C ZINC001102524833 1311316451 /nfs/dbraw/zinc/31/64/51/1311316451.db2.gz ZAZOMCGQTUYDRJ-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047971446 1311340288 /nfs/dbraw/zinc/34/02/88/1311340288.db2.gz DIORVTMZIHAONX-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047981230 1311348484 /nfs/dbraw/zinc/34/84/84/1311348484.db2.gz BIEQELDTUJEYLU-DLBZAZTESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986190 1311351620 /nfs/dbraw/zinc/35/16/20/1311351620.db2.gz CIKOQHHHMGLHLB-ZFWWWQNUSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001047986505 1311352645 /nfs/dbraw/zinc/35/26/45/1311352645.db2.gz DIABZNWWDHMXOM-HIFRSBDPSA-N 1 3 346.500 2.657 20 0 EFADHO C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccsc1)C2 ZINC001111947303 1311368725 /nfs/dbraw/zinc/36/87/25/1311368725.db2.gz BGUUCYFPPVZGEJ-HKUYNNGSSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCCCCF)CC1)N(C)C ZINC001224402246 1311385812 /nfs/dbraw/zinc/38/58/12/1311385812.db2.gz BHAGVEJUTPBKKZ-QGZVFWFLSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001224534966 1311404313 /nfs/dbraw/zinc/40/43/13/1311404313.db2.gz BHMYFTLZZLGXEE-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001224536640 1311404734 /nfs/dbraw/zinc/40/47/34/1311404734.db2.gz MCWOFJRNMAAADP-KRWDZBQOSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001224536698 1311405040 /nfs/dbraw/zinc/40/50/40/1311405040.db2.gz NSFKRMTWSAREPM-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224561026 1311407576 /nfs/dbraw/zinc/40/75/76/1311407576.db2.gz ZOZLPCQMZZBGFC-QGZVFWFLSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558868 1311407616 /nfs/dbraw/zinc/40/76/16/1311407616.db2.gz JYBBPIBSGHBGNE-ZWKOTPCHSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058611 1311417836 /nfs/dbraw/zinc/41/78/36/1311417836.db2.gz GWWJVILTDGZVTM-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001048059037 1311417955 /nfs/dbraw/zinc/41/79/55/1311417955.db2.gz NLKOJFFWEAIGTO-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048062443 1311420910 /nfs/dbraw/zinc/42/09/10/1311420910.db2.gz DUQMPEOJEYNMHV-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048062441 1311421058 /nfs/dbraw/zinc/42/10/58/1311421058.db2.gz DUQMPEOJEYNMHV-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063720 1311423318 /nfs/dbraw/zinc/42/33/18/1311423318.db2.gz FRABVZBVDSZRBT-LPHOPBHVSA-N 1 3 347.478 2.579 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048065220 1311424127 /nfs/dbraw/zinc/42/41/27/1311424127.db2.gz KMMBYSLSRKAXCL-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001048068298 1311427604 /nfs/dbraw/zinc/42/76/04/1311427604.db2.gz VEFGEKOKSJBSRZ-WBVHZDCISA-N 1 3 349.544 2.787 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048068667 1311427708 /nfs/dbraw/zinc/42/77/08/1311427708.db2.gz XKDOEOCZBJVSQF-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001048068293 1311427769 /nfs/dbraw/zinc/42/77/69/1311427769.db2.gz VEFGEKOKSJBSRZ-DOTOQJQBSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048069088 1311428207 /nfs/dbraw/zinc/42/82/07/1311428207.db2.gz ZXTWCUXGWPCFSM-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048068860 1311428242 /nfs/dbraw/zinc/42/82/42/1311428242.db2.gz JSGMTSUVDMLYOJ-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO CCc1ccc(C[NH+]2CCC(CNC(=O)CN(CC)CC)CC2)cc1 ZINC001224911670 1311449801 /nfs/dbraw/zinc/44/98/01/1311449801.db2.gz QXTAFTDWUFTMIF-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCc1cccc(C[NH+]2CCC(CNC(=O)CN(CC)CC)CC2)c1 ZINC001224911920 1311449951 /nfs/dbraw/zinc/44/99/51/1311449951.db2.gz WWCIBUYISMKWDS-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001224911410 1311449995 /nfs/dbraw/zinc/44/99/95/1311449995.db2.gz OVHYBNNUPUCEGX-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001159155035 1311462390 /nfs/dbraw/zinc/46/23/90/1311462390.db2.gz HHZNBDBICQLLBQ-ZDUSSCGKSA-N 1 3 349.903 2.677 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001225087994 1311473902 /nfs/dbraw/zinc/47/39/02/1311473902.db2.gz TUVYTQCLMAGLJA-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001225087994 1311473903 /nfs/dbraw/zinc/47/39/03/1311473903.db2.gz TUVYTQCLMAGLJA-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001225243898 1311494132 /nfs/dbraw/zinc/49/41/32/1311494132.db2.gz AIERTDCMUGTXDA-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001225243898 1311494134 /nfs/dbraw/zinc/49/41/34/1311494134.db2.gz AIERTDCMUGTXDA-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001225246018 1311494246 /nfs/dbraw/zinc/49/42/46/1311494246.db2.gz ZUVTXFSVBJXDJK-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccccc2F)CC1 ZINC001225246018 1311494247 /nfs/dbraw/zinc/49/42/47/1311494247.db2.gz ZUVTXFSVBJXDJK-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001225244580 1311494318 /nfs/dbraw/zinc/49/43/18/1311494318.db2.gz JESZQZFQCFVCBD-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001225244580 1311494321 /nfs/dbraw/zinc/49/43/21/1311494321.db2.gz JESZQZFQCFVCBD-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001225251357 1311494953 /nfs/dbraw/zinc/49/49/53/1311494953.db2.gz DEORPAWNDDVROY-QGZVFWFLSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001225252062 1311495702 /nfs/dbraw/zinc/49/57/02/1311495702.db2.gz KTIZNDYMWZPAGW-QGZVFWFLSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001014403245 1311499132 /nfs/dbraw/zinc/49/91/32/1311499132.db2.gz ZEQJMIWSXWFZEG-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001014403245 1311499133 /nfs/dbraw/zinc/49/91/33/1311499133.db2.gz ZEQJMIWSXWFZEG-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014411653 1311502609 /nfs/dbraw/zinc/50/26/09/1311502609.db2.gz YTLUHYNHFBXAMN-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014411653 1311502613 /nfs/dbraw/zinc/50/26/13/1311502613.db2.gz YTLUHYNHFBXAMN-PMACEKPBSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014441545 1311517886 /nfs/dbraw/zinc/51/78/86/1311517886.db2.gz ZBUSMNZQJDPUTH-ROUUACIJSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014441545 1311517888 /nfs/dbraw/zinc/51/78/88/1311517888.db2.gz ZBUSMNZQJDPUTH-ROUUACIJSA-N 1 3 333.520 2.798 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@@H]2CNCCO2)nc1 ZINC001159500915 1311528016 /nfs/dbraw/zinc/52/80/16/1311528016.db2.gz FYFTYYDEDAZJQM-NXHRZFHOSA-N 1 3 332.492 2.807 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)[C@@H]2CNCCO2)nc1 ZINC001159500915 1311528021 /nfs/dbraw/zinc/52/80/21/1311528021.db2.gz FYFTYYDEDAZJQM-NXHRZFHOSA-N 1 3 332.492 2.807 20 0 EFADHO C[C@H](Nc1[nH+]ccc2c1ccn2Cc1ccccc1)[C@H]1CNCCO1 ZINC001159500287 1311528040 /nfs/dbraw/zinc/52/80/40/1311528040.db2.gz RJNUWFIAVNDHOJ-HNAYVOBHSA-N 1 3 336.439 2.873 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482496 1311538050 /nfs/dbraw/zinc/53/80/50/1311538050.db2.gz GSYDBVYKMMRJPE-IMFGXOCKSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014482496 1311538054 /nfs/dbraw/zinc/53/80/54/1311538054.db2.gz GSYDBVYKMMRJPE-IMFGXOCKSA-N 1 3 343.515 2.841 20 0 EFADHO CN1CC=C(Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)CC1 ZINC001159576569 1311544223 /nfs/dbraw/zinc/54/42/23/1311544223.db2.gz RJAFAARIQPLAJZ-UHFFFAOYSA-N 1 3 340.393 2.746 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578585 1311547023 /nfs/dbraw/zinc/54/70/23/1311547023.db2.gz YGAVEKRQFTUOQM-ROUUACIJSA-N 1 3 341.515 2.683 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)cc1 ZINC001014504103 1311547661 /nfs/dbraw/zinc/54/76/61/1311547661.db2.gz UTYBYKOXWDSWJV-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)cc1 ZINC001014504103 1311547665 /nfs/dbraw/zinc/54/76/65/1311547665.db2.gz UTYBYKOXWDSWJV-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001225582797 1311547865 /nfs/dbraw/zinc/54/78/65/1311547865.db2.gz UOOIHCANDAKBJL-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001159627933 1311554816 /nfs/dbraw/zinc/55/48/16/1311554816.db2.gz CTEZEJSHVFKZGA-SFHVURJKSA-N 1 3 347.528 2.789 20 0 EFADHO Cc1cc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001159627933 1311554819 /nfs/dbraw/zinc/55/48/19/1311554819.db2.gz CTEZEJSHVFKZGA-SFHVURJKSA-N 1 3 347.528 2.789 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001159628176 1311555100 /nfs/dbraw/zinc/55/51/00/1311555100.db2.gz DRJLTIYPPCSIAJ-SFHVURJKSA-N 1 3 347.528 2.523 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001159628176 1311555105 /nfs/dbraw/zinc/55/51/05/1311555105.db2.gz DRJLTIYPPCSIAJ-SFHVURJKSA-N 1 3 347.528 2.523 20 0 EFADHO Cc1ccccc1C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628770 1311555343 /nfs/dbraw/zinc/55/53/43/1311555343.db2.gz PPYOPZQPQCPSNA-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628770 1311555346 /nfs/dbraw/zinc/55/53/46/1311555346.db2.gz PPYOPZQPQCPSNA-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653544 1311560209 /nfs/dbraw/zinc/56/02/09/1311560209.db2.gz YPCYTSAHRYGGSA-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO Cc1cc(CN2CC[C@]3(C2)CCCN(c2cc[nH+]c(C)c2)C3)n(C)n1 ZINC001277065124 1311565956 /nfs/dbraw/zinc/56/59/56/1311565956.db2.gz VBEYKQQWKLUJGZ-FQEVSTJZSA-N 1 3 339.487 2.924 20 0 EFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001159787721 1311584157 /nfs/dbraw/zinc/58/41/57/1311584157.db2.gz BXANFTDNKHVAAU-LBPRGKRZSA-N 1 3 330.766 2.658 20 0 EFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001159787719 1311584241 /nfs/dbraw/zinc/58/42/41/1311584241.db2.gz BXANFTDNKHVAAU-GFCCVEGCSA-N 1 3 330.766 2.658 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]CC[C@H]2CCc3ccccc32)CCC1 ZINC001159854238 1311597291 /nfs/dbraw/zinc/59/72/91/1311597291.db2.gz NPZDWWLXONPWOR-GOSISDBHSA-N 1 3 343.515 2.687 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159861869 1311598609 /nfs/dbraw/zinc/59/86/09/1311598609.db2.gz SWUUMFSNVHNGRT-KRWDZBQOSA-N 1 3 331.504 2.945 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001159932200 1311611934 /nfs/dbraw/zinc/61/19/34/1311611934.db2.gz OLHFSXGLKWRYDU-CXAGYDPISA-N 1 3 337.895 2.837 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001096314050 1311613648 /nfs/dbraw/zinc/61/36/48/1311613648.db2.gz USTIUDPYUKXTAP-YDZRNGNQSA-N 1 3 333.520 2.773 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1 ZINC001096314050 1311613651 /nfs/dbraw/zinc/61/36/51/1311613651.db2.gz USTIUDPYUKXTAP-YDZRNGNQSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159993295 1311625026 /nfs/dbraw/zinc/62/50/26/1311625026.db2.gz WDIIDQFSHNMBMI-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)C1CCC1 ZINC001159997314 1311626255 /nfs/dbraw/zinc/62/62/55/1311626255.db2.gz LLXIPZDUZSBWRY-HYXAFXHYSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1Cl ZINC001160003090 1311626709 /nfs/dbraw/zinc/62/67/09/1311626709.db2.gz CJJRELRNVGYIAH-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001160003640 1311627365 /nfs/dbraw/zinc/62/73/65/1311627365.db2.gz XYDYFZOQKCDUCA-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cs1 ZINC001048277949 1311631276 /nfs/dbraw/zinc/63/12/76/1311631276.db2.gz RWMJNWRQYIEGDJ-PBHICJAKSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001048279018 1311632121 /nfs/dbraw/zinc/63/21/21/1311632121.db2.gz GKGBNMPECRBFOE-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001048281070 1311633754 /nfs/dbraw/zinc/63/37/54/1311633754.db2.gz QQRIABINWIKPDE-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631879 1311635460 /nfs/dbraw/zinc/63/54/60/1311635460.db2.gz PBZDOFZUNZOAFO-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631879 1311635464 /nfs/dbraw/zinc/63/54/64/1311635464.db2.gz PBZDOFZUNZOAFO-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014635858 1311637075 /nfs/dbraw/zinc/63/70/75/1311637075.db2.gz XOGPOFSAYJLWKB-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014635858 1311637079 /nfs/dbraw/zinc/63/70/79/1311637079.db2.gz XOGPOFSAYJLWKB-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635858 1311637081 /nfs/dbraw/zinc/63/70/81/1311637081.db2.gz XOGPOFSAYJLWKB-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635858 1311637084 /nfs/dbraw/zinc/63/70/84/1311637084.db2.gz XOGPOFSAYJLWKB-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001014635902 1311637435 /nfs/dbraw/zinc/63/74/35/1311637435.db2.gz XRHYZTXFLZKBQS-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001014635902 1311637438 /nfs/dbraw/zinc/63/74/38/1311637438.db2.gz XRHYZTXFLZKBQS-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706878 1311676802 /nfs/dbraw/zinc/67/68/02/1311676802.db2.gz SUQPHZUBZUIEMP-MOPGFXCFSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706878 1311676805 /nfs/dbraw/zinc/67/68/05/1311676805.db2.gz SUQPHZUBZUIEMP-MOPGFXCFSA-N 1 3 333.520 2.655 20 0 EFADHO NCc1cnccc1N(c1ccc(Cl)cc1N)C1CC[NH2+]CC1 ZINC001160294172 1311683273 /nfs/dbraw/zinc/68/32/73/1311683273.db2.gz WAZOWQWERJEYOV-UHFFFAOYSA-N 1 3 331.851 2.666 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001014721762 1311687794 /nfs/dbraw/zinc/68/77/94/1311687794.db2.gz KOTPLMOTJHMGPF-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001014721762 1311687798 /nfs/dbraw/zinc/68/77/98/1311687798.db2.gz KOTPLMOTJHMGPF-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000902383139 1311693658 /nfs/dbraw/zinc/69/36/58/1311693658.db2.gz CSWWAJDKKKCAEZ-RTBURBONSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001014728448 1311694592 /nfs/dbraw/zinc/69/45/92/1311694592.db2.gz MMRTXQPNYFQKJR-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001014728448 1311694595 /nfs/dbraw/zinc/69/45/95/1311694595.db2.gz MMRTXQPNYFQKJR-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360894 1311696968 /nfs/dbraw/zinc/69/69/68/1311696968.db2.gz YDGFLNZQQKVDCA-ZMBJWTFHSA-N 1 3 333.520 2.821 20 0 EFADHO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360894 1311696973 /nfs/dbraw/zinc/69/69/73/1311696973.db2.gz YDGFLNZQQKVDCA-ZMBJWTFHSA-N 1 3 333.520 2.821 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCCCF)CC1)N(C)C ZINC001160406005 1311704125 /nfs/dbraw/zinc/70/41/25/1311704125.db2.gz GWSUONJYYJMFJC-SFHVURJKSA-N 1 3 341.515 2.851 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)N(C)C ZINC001160406005 1311704126 /nfs/dbraw/zinc/70/41/26/1311704126.db2.gz GWSUONJYYJMFJC-SFHVURJKSA-N 1 3 341.515 2.851 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001160421886 1311707105 /nfs/dbraw/zinc/70/71/05/1311707105.db2.gz WNDZCYDWTBJAIS-AWEZNQCLSA-N 1 3 331.913 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001160426426 1311707434 /nfs/dbraw/zinc/70/74/34/1311707434.db2.gz FQXPNSOHDIXMDQ-INIZCTEOSA-N 1 3 341.446 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cc(F)ccc1F)N(C)C ZINC001160434577 1311709439 /nfs/dbraw/zinc/70/94/39/1311709439.db2.gz RRCSPGOKPUODAM-DYVFJYSZSA-N 1 3 341.446 2.708 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)cc1 ZINC001160443423 1311710345 /nfs/dbraw/zinc/71/03/45/1311710345.db2.gz IUUOFDIIHQRLRA-LMFLDHGRSA-N 1 3 327.472 2.888 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001160473710 1311718793 /nfs/dbraw/zinc/71/87/93/1311718793.db2.gz MURPDHHVRCSDQR-LJQANCHMSA-N 1 3 329.488 2.665 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001160473710 1311718795 /nfs/dbraw/zinc/71/87/95/1311718795.db2.gz MURPDHHVRCSDQR-LJQANCHMSA-N 1 3 329.488 2.665 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001226774108 1311720983 /nfs/dbraw/zinc/72/09/83/1311720983.db2.gz KCPJGNGLIDGCKN-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F)C1CC1 ZINC001226774451 1311721081 /nfs/dbraw/zinc/72/10/81/1311721081.db2.gz MNVILOVVCRDURW-QRVBRYPASA-N 1 3 347.478 2.683 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2)CCC1 ZINC001226781737 1311722394 /nfs/dbraw/zinc/72/23/94/1311722394.db2.gz ABWQWQZFRUGDDF-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001226782792 1311723133 /nfs/dbraw/zinc/72/31/33/1311723133.db2.gz SAURRXNVFQTVKX-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO [NH3+]C1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC001160511015 1311724431 /nfs/dbraw/zinc/72/44/31/1311724431.db2.gz LHHGSJLDASHCQZ-UHFFFAOYSA-N 1 3 349.478 2.658 20 0 EFADHO [NH3+]C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001160515393 1311724770 /nfs/dbraw/zinc/72/47/70/1311724770.db2.gz DZVZDEGQUYYNFI-OAHLLOKOSA-N 1 3 335.879 2.502 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001226799827 1311725067 /nfs/dbraw/zinc/72/50/67/1311725067.db2.gz DJVUAAYWBINZAO-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)C1CC1 ZINC001226800271 1311725346 /nfs/dbraw/zinc/72/53/46/1311725346.db2.gz JJLIWZHXHAFHJR-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)C1CC1 ZINC001226800400 1311725352 /nfs/dbraw/zinc/72/53/52/1311725352.db2.gz KNEJHZLFRRIQIO-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)N(C)C ZINC001226941570 1311744264 /nfs/dbraw/zinc/74/42/64/1311744264.db2.gz DUZULRJEAGOFHO-QRVBRYPASA-N 1 3 331.504 2.790 20 0 EFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356504 1311747316 /nfs/dbraw/zinc/74/73/16/1311747316.db2.gz SENTVUKYKBGAEB-YSHGAJCASA-N 1 3 339.483 2.565 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048417978 1311755135 /nfs/dbraw/zinc/75/51/35/1311755135.db2.gz PAXZDWXKGVMUMJ-IEBWSBKVSA-N 1 3 349.563 2.839 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001227057537 1311756310 /nfs/dbraw/zinc/75/63/10/1311756310.db2.gz UOVIOSGXXCDSDP-KZNAEPCWSA-N 1 3 335.467 2.683 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC001227090075 1311760132 /nfs/dbraw/zinc/76/01/32/1311760132.db2.gz DETLMEPYRLTEBG-WERPAELLSA-N 1 3 348.318 2.807 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnccc1C ZINC001227158853 1311770073 /nfs/dbraw/zinc/77/00/73/1311770073.db2.gz QMXFXNAQTVNFOF-QZTJIDSGSA-N 1 3 346.519 2.637 20 0 EFADHO CCNc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000902473132 1311771629 /nfs/dbraw/zinc/77/16/29/1311771629.db2.gz RUSVYDTXAAUKRO-FQEVSTJZSA-N 1 3 339.483 2.975 20 0 EFADHO CCNc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000902473132 1311771631 /nfs/dbraw/zinc/77/16/31/1311771631.db2.gz RUSVYDTXAAUKRO-FQEVSTJZSA-N 1 3 339.483 2.975 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CCCOc1c(C)cccc1C)N(C)C ZINC001160889098 1311803817 /nfs/dbraw/zinc/80/38/17/1311803817.db2.gz CJSPFYDFZGERAF-GOSISDBHSA-N 1 3 349.519 2.508 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001160890067 1311803862 /nfs/dbraw/zinc/80/38/62/1311803862.db2.gz UGJTUIPQWFBDAN-IEBWSBKVSA-N 1 3 331.504 2.543 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(OCC(C)C)c1)N(C)C ZINC001160889082 1311803891 /nfs/dbraw/zinc/80/38/91/1311803891.db2.gz BPXZWWKPBKKITJ-LJQANCHMSA-N 1 3 349.519 2.658 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)N(C)C ZINC001160889671 1311803982 /nfs/dbraw/zinc/80/39/82/1311803982.db2.gz OCVQGCBLALYNHD-XJKSGUPXSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H](N)C(C)(C)C ZINC001160955954 1311821539 /nfs/dbraw/zinc/82/15/39/1311821539.db2.gz CXRHAXKYDSTSMG-SZMVWBNQSA-N 1 3 331.504 2.729 20 0 EFADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H](N)C(C)(C)C ZINC001160955954 1311821542 /nfs/dbraw/zinc/82/15/42/1311821542.db2.gz CXRHAXKYDSTSMG-SZMVWBNQSA-N 1 3 331.504 2.729 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001227619076 1311831550 /nfs/dbraw/zinc/83/15/50/1311831550.db2.gz MQHJIDBGECPSRQ-IBGZPJMESA-N 1 3 349.494 2.756 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001227628667 1311833757 /nfs/dbraw/zinc/83/37/57/1311833757.db2.gz GHXZJRQVYIJZAK-IBGZPJMESA-N 1 3 349.494 2.756 20 0 EFADHO CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161060266 1311848462 /nfs/dbraw/zinc/84/84/62/1311848462.db2.gz ASFRHHWXIVZNEB-ILXRZTDVSA-N 1 3 343.393 2.824 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227796885 1311857264 /nfs/dbraw/zinc/85/72/64/1311857264.db2.gz DCXMVPXIBXVXNA-IFXJQAMLSA-N 1 3 347.478 2.808 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC001227796834 1311857427 /nfs/dbraw/zinc/85/74/27/1311857427.db2.gz BMMSAMJBVKRCKK-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001227797228 1311857505 /nfs/dbraw/zinc/85/75/05/1311857505.db2.gz DOPWZVHPLVHEEA-JXFKEZNVSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001227797232 1311857528 /nfs/dbraw/zinc/85/75/28/1311857528.db2.gz DOPWZVHPLVHEEA-UZLBHIALSA-N 1 3 343.515 2.977 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCc2ccccc2)CC1)C1CC1 ZINC001227798462 1311858252 /nfs/dbraw/zinc/85/82/52/1311858252.db2.gz ZCCRLOUQRDRNCR-HXUWFJFHSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106540 1311858650 /nfs/dbraw/zinc/85/86/50/1311858650.db2.gz AHMDCOCBEZMIRW-MRXNPFEDSA-N 1 3 347.478 2.977 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001048524796 1311860447 /nfs/dbraw/zinc/86/04/47/1311860447.db2.gz AEPHWTKRFIKNBO-XMTFNYHQSA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001048524796 1311860448 /nfs/dbraw/zinc/86/04/48/1311860448.db2.gz AEPHWTKRFIKNBO-XMTFNYHQSA-N 1 3 339.499 2.578 20 0 EFADHO C[NH+](C)[C@H](C(=O)NC1CCN(C/C=C\c2ccccc2)CC1)C1CC1 ZINC001227818077 1311860794 /nfs/dbraw/zinc/86/07/94/1311860794.db2.gz QJUXMLLUPZWNEK-NSDNCLLMSA-N 1 3 341.499 2.621 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001227816423 1311860905 /nfs/dbraw/zinc/86/09/05/1311860905.db2.gz DILNUDBIZRNAIZ-UZLBHIALSA-N 1 3 343.515 2.977 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001227817534 1311860921 /nfs/dbraw/zinc/86/09/21/1311860921.db2.gz MHKMBBLRPGCIAF-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227816419 1311860949 /nfs/dbraw/zinc/86/09/49/1311860949.db2.gz DILNUDBIZRNAIZ-OXQOHEQNSA-N 1 3 343.515 2.977 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001048530575 1311868784 /nfs/dbraw/zinc/86/87/84/1311868784.db2.gz XCLKAYGKCNXBJQ-RDGPPVDQSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001048530575 1311868786 /nfs/dbraw/zinc/86/87/86/1311868786.db2.gz XCLKAYGKCNXBJQ-RDGPPVDQSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001048530574 1311868845 /nfs/dbraw/zinc/86/88/45/1311868845.db2.gz XCLKAYGKCNXBJQ-FCGDIQPGSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001048530574 1311868846 /nfs/dbraw/zinc/86/88/46/1311868846.db2.gz XCLKAYGKCNXBJQ-FCGDIQPGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001227900234 1311871768 /nfs/dbraw/zinc/87/17/68/1311871768.db2.gz RGVSLNWLGSFOJS-AEFFLSMTSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001161391519 1311877599 /nfs/dbraw/zinc/87/75/99/1311877599.db2.gz STMSIGCWQXGNNF-GOSISDBHSA-N 1 3 339.499 2.747 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161391519 1311877602 /nfs/dbraw/zinc/87/76/02/1311877602.db2.gz STMSIGCWQXGNNF-GOSISDBHSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCCc2ccccc2)CC1)N(C)C ZINC001227979330 1311882786 /nfs/dbraw/zinc/88/27/86/1311882786.db2.gz DKNXTNGLFOYAQE-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015052695 1311883365 /nfs/dbraw/zinc/88/33/65/1311883365.db2.gz NQPUIFIDONUWOH-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015052695 1311883369 /nfs/dbraw/zinc/88/33/69/1311883369.db2.gz NQPUIFIDONUWOH-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1)N(C)C ZINC001227986906 1311884672 /nfs/dbraw/zinc/88/46/72/1311884672.db2.gz PFCLJFGLSMEDFG-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001227986206 1311884711 /nfs/dbraw/zinc/88/47/11/1311884711.db2.gz AFLQNDGCBHYGLJ-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001015056593 1311885642 /nfs/dbraw/zinc/88/56/42/1311885642.db2.gz HAKBQVGSHJQSMU-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001015056593 1311885647 /nfs/dbraw/zinc/88/56/47/1311885647.db2.gz HAKBQVGSHJQSMU-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)Cc1ccc(CC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161444148 1311890719 /nfs/dbraw/zinc/89/07/19/1311890719.db2.gz CQNOUOBMPHWJFY-HXUWFJFHSA-N 1 3 345.531 2.570 20 0 EFADHO CC(C)[C@H](C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447856 1311892228 /nfs/dbraw/zinc/89/22/28/1311892228.db2.gz ZLAGUPNLETWWEB-MOPGFXCFSA-N 1 3 331.504 2.568 20 0 EFADHO Cc1c2cc(C)ccc2oc1C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161451151 1311892704 /nfs/dbraw/zinc/89/27/04/1311892704.db2.gz KUPWUGSLFQIFEI-MRXNPFEDSA-N 1 3 343.471 2.805 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC001228039817 1311892694 /nfs/dbraw/zinc/89/26/94/1311892694.db2.gz PGBZXBLJBHTDDV-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC001228054953 1311895485 /nfs/dbraw/zinc/89/54/85/1311895485.db2.gz URRCHUWNEFLWTF-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001161496986 1311900759 /nfs/dbraw/zinc/90/07/59/1311900759.db2.gz NASJWJJCKUIWEW-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001161496986 1311900762 /nfs/dbraw/zinc/90/07/62/1311900762.db2.gz NASJWJJCKUIWEW-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015088933 1311903550 /nfs/dbraw/zinc/90/35/50/1311903550.db2.gz GBNRQSROAMQWKQ-PKOBYXMFSA-N 1 3 341.499 2.875 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089591 1311904494 /nfs/dbraw/zinc/90/44/94/1311904494.db2.gz KZEWCDYLWKGAMG-OALUTQOASA-N 1 3 341.499 2.957 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001161529884 1311907992 /nfs/dbraw/zinc/90/79/92/1311907992.db2.gz LWFCKIMKHQFLDY-UZLBHIALSA-N 1 3 349.478 2.656 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582620 1311922039 /nfs/dbraw/zinc/92/20/39/1311922039.db2.gz NNNUHXDQEJIVAG-IBGZPJMESA-N 1 3 341.499 2.524 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161582622 1311922101 /nfs/dbraw/zinc/92/21/01/1311922101.db2.gz NNNUHXDQEJIVAG-LJQANCHMSA-N 1 3 341.499 2.524 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161595174 1311925101 /nfs/dbraw/zinc/92/51/01/1311925101.db2.gz LYANMNLLARHVHL-SFHVURJKSA-N 1 3 327.472 2.515 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)N(C)C ZINC001228445336 1311948847 /nfs/dbraw/zinc/94/88/47/1311948847.db2.gz OPCIUGWGEUXNHJ-MGPQQGTHSA-N 1 3 337.430 2.542 20 0 EFADHO C[NH+](C)CCCCNc1nc(N2CCOCC2)cc2ccccc21 ZINC001161728371 1311960481 /nfs/dbraw/zinc/96/04/81/1311960481.db2.gz KHGFYXYIHCADKV-UHFFFAOYSA-N 1 3 328.460 2.825 20 0 EFADHO Cc1cc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)cs1 ZINC001277310183 1311963754 /nfs/dbraw/zinc/96/37/54/1311963754.db2.gz IGDAIKXCCXEDRN-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+](CC)CC ZINC001228559362 1311964866 /nfs/dbraw/zinc/96/48/66/1311964866.db2.gz QCTVKNLWOYDMOQ-QRVBRYPASA-N 1 3 346.519 2.719 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001161755171 1311966087 /nfs/dbraw/zinc/96/60/87/1311966087.db2.gz PISMNCQHWYSJTC-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001161755171 1311966088 /nfs/dbraw/zinc/96/60/88/1311966088.db2.gz PISMNCQHWYSJTC-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785866 1311972646 /nfs/dbraw/zinc/97/26/46/1311972646.db2.gz UIXHQSLNGAJVQF-SNAWJCMRSA-N 1 3 330.476 2.755 20 0 EFADHO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785866 1311972649 /nfs/dbraw/zinc/97/26/49/1311972649.db2.gz UIXHQSLNGAJVQF-SNAWJCMRSA-N 1 3 330.476 2.755 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001228647372 1311975086 /nfs/dbraw/zinc/97/50/86/1311975086.db2.gz RZLXUWJLZGERGD-QRVBRYPASA-N 1 3 331.504 2.852 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001228646939 1311975190 /nfs/dbraw/zinc/97/51/90/1311975190.db2.gz LXQPXQLIVQDWIP-QRVBRYPASA-N 1 3 347.503 2.552 20 0 EFADHO c1cc2n(c1CN[C@]13CC[C@]([NH2+]Cc4cn[nH]c4)(C1)CCC3)CCC2 ZINC001277330381 1312001136 /nfs/dbraw/zinc/00/11/36/1312001136.db2.gz SSZGJRCUJTZYPW-VQTJNVASSA-N 1 3 339.487 2.882 20 0 EFADHO CC(C)[N@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932617 1312007234 /nfs/dbraw/zinc/00/72/34/1312007234.db2.gz WPHSHMQBOMFKIC-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)[N@@H+]1CC=C(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001161932617 1312007237 /nfs/dbraw/zinc/00/72/37/1312007237.db2.gz WPHSHMQBOMFKIC-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCC2CC2)CC1 ZINC001161953066 1312012811 /nfs/dbraw/zinc/01/28/11/1312012811.db2.gz PJYIZEMRARGRKF-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161953066 1312012814 /nfs/dbraw/zinc/01/28/14/1312012814.db2.gz PJYIZEMRARGRKF-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCC2)CC1 ZINC001161952977 1312012835 /nfs/dbraw/zinc/01/28/35/1312012835.db2.gz NSCRNEWBMZICGC-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161952977 1312012838 /nfs/dbraw/zinc/01/28/38/1312012838.db2.gz NSCRNEWBMZICGC-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001228879175 1312014424 /nfs/dbraw/zinc/01/44/24/1312014424.db2.gz IHVBWFUMQRACQV-UXBLZVDNSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCCCC1 ZINC001228924488 1312021055 /nfs/dbraw/zinc/02/10/55/1312021055.db2.gz DWTBEHMMUJZZBM-GVDBMIGSSA-N 1 3 327.488 2.628 20 0 EFADHO [NH3+]CCN(c1ccc2c(n1)OCCNC2)c1cccc2ccccc21 ZINC001162005029 1312026678 /nfs/dbraw/zinc/02/66/78/1312026678.db2.gz RFKBMCSIAWFQKY-UHFFFAOYSA-N 1 3 334.423 2.814 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008736 1312035125 /nfs/dbraw/zinc/03/51/25/1312035125.db2.gz VQWCFOONHPWMTD-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO CCCCOCCN1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001229154281 1312054816 /nfs/dbraw/zinc/05/48/16/1312054816.db2.gz LNBKGUABDMQPSM-GOSISDBHSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001229154282 1312054848 /nfs/dbraw/zinc/05/48/48/1312054848.db2.gz LNBKGUABDMQPSM-SFHVURJKSA-N 1 3 341.540 2.504 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)CC(C)(C)C ZINC001229214179 1312062651 /nfs/dbraw/zinc/06/26/51/1312062651.db2.gz CRCTUBZJEGKRTP-FGTMMUONSA-N 1 3 349.563 2.981 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001229232030 1312064875 /nfs/dbraw/zinc/06/48/75/1312064875.db2.gz WODKQJXJXQVWCE-RTBURBONSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2C)CC1)N(C)C ZINC001229232902 1312065070 /nfs/dbraw/zinc/06/50/70/1312065070.db2.gz AICQVUNPBGNABK-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC001229232134 1312065127 /nfs/dbraw/zinc/06/51/27/1312065127.db2.gz YKEQNOWUFCEWKU-RTBURBONSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC001229254578 1312068340 /nfs/dbraw/zinc/06/83/40/1312068340.db2.gz VYQVNWVWXOGDSA-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC001229253271 1312068358 /nfs/dbraw/zinc/06/83/58/1312068358.db2.gz AFLQNDGCBHYGLJ-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015386022 1312089083 /nfs/dbraw/zinc/08/90/83/1312089083.db2.gz GERPDPUHOLGXNX-VQTJNVASSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015386022 1312089087 /nfs/dbraw/zinc/08/90/87/1312089087.db2.gz GERPDPUHOLGXNX-VQTJNVASSA-N 1 3 345.531 2.942 20 0 EFADHO CC(C)N1CCN(Cc2ccc(NC[C@H]3C[NH2+][C@H](C)C3)c(F)c2)CC1 ZINC001162562407 1312124608 /nfs/dbraw/zinc/12/46/08/1312124608.db2.gz JAAVLLXJMPIAIN-SJLPKXTDSA-N 1 3 348.510 2.762 20 0 EFADHO C[NH+]1CCC(NC(=O)C23CC(NCc4ccccc4Cl)(C2)C3)CC1 ZINC001277416089 1312132062 /nfs/dbraw/zinc/13/20/62/1312132062.db2.gz GJLDOHQNDGUZPR-UHFFFAOYSA-N 1 3 347.890 2.563 20 0 EFADHO CC[NH+](CC)Cc1ccc(Br)cc1-n1nccc1CN ZINC001162597791 1312132569 /nfs/dbraw/zinc/13/25/69/1312132569.db2.gz SRLZFDIYXKOROI-UHFFFAOYSA-N 1 3 337.265 2.935 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001229853210 1312149909 /nfs/dbraw/zinc/14/99/09/1312149909.db2.gz OWYYOIWREPWHCC-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001229853210 1312149912 /nfs/dbraw/zinc/14/99/12/1312149912.db2.gz OWYYOIWREPWHCC-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC001229859859 1312150689 /nfs/dbraw/zinc/15/06/89/1312150689.db2.gz GAXBYHHMQXHMLM-RTBURBONSA-N 1 3 331.504 2.588 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001229909026 1312158712 /nfs/dbraw/zinc/15/87/12/1312158712.db2.gz RRVUKZZSHWSDEZ-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001229909026 1312158715 /nfs/dbraw/zinc/15/87/15/1312158715.db2.gz RRVUKZZSHWSDEZ-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832568 1312187030 /nfs/dbraw/zinc/18/70/30/1312187030.db2.gz UZEHTNDFOFCCRN-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001230107614 1312187889 /nfs/dbraw/zinc/18/78/89/1312187889.db2.gz OMUVFBYXGHSNFD-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2csc(C)c2)CC1 ZINC001230107614 1312187891 /nfs/dbraw/zinc/18/78/91/1312187891.db2.gz OMUVFBYXGHSNFD-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC001230112906 1312188712 /nfs/dbraw/zinc/18/87/12/1312188712.db2.gz GMKKHKDMJHWPOF-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC001230115306 1312189050 /nfs/dbraw/zinc/18/90/50/1312189050.db2.gz MYDJERDSNYNVMD-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001230113240 1312189223 /nfs/dbraw/zinc/18/92/23/1312189223.db2.gz YWJGHDCXFDDBNZ-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596547 1312203662 /nfs/dbraw/zinc/20/36/62/1312203662.db2.gz DJGBKGSFHLWPKB-MOPGFXCFSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596547 1312203666 /nfs/dbraw/zinc/20/36/66/1312203666.db2.gz DJGBKGSFHLWPKB-MOPGFXCFSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597213 1312205523 /nfs/dbraw/zinc/20/55/23/1312205523.db2.gz OPPJZPLHKQPMLX-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597213 1312205525 /nfs/dbraw/zinc/20/55/25/1312205525.db2.gz OPPJZPLHKQPMLX-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864345 1312206290 /nfs/dbraw/zinc/20/62/90/1312206290.db2.gz XGBNOASHIHMCEI-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864345 1312206294 /nfs/dbraw/zinc/20/62/94/1312206294.db2.gz XGBNOASHIHMCEI-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1C(C)C ZINC001162952105 1312210267 /nfs/dbraw/zinc/21/02/67/1312210267.db2.gz FPPDUYYDPSQORR-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605143 1312210391 /nfs/dbraw/zinc/21/03/91/1312210391.db2.gz HPCWGEPHWHJIQE-BJLQDIEVSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605143 1312210393 /nfs/dbraw/zinc/21/03/93/1312210393.db2.gz HPCWGEPHWHJIQE-BJLQDIEVSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015607090 1312211801 /nfs/dbraw/zinc/21/18/01/1312211801.db2.gz IJGVSSJPQGUHFX-XKGZKEIXSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015607090 1312211804 /nfs/dbraw/zinc/21/18/04/1312211804.db2.gz IJGVSSJPQGUHFX-XKGZKEIXSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001015612124 1312214624 /nfs/dbraw/zinc/21/46/24/1312214624.db2.gz SCORCHFLKXDUDW-SZMVWBNQSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001015612124 1312214626 /nfs/dbraw/zinc/21/46/26/1312214626.db2.gz SCORCHFLKXDUDW-SZMVWBNQSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1)N1CCCCC1 ZINC001230284590 1312215236 /nfs/dbraw/zinc/21/52/36/1312215236.db2.gz MLQJKNWIOHQNLB-QRVBRYPASA-N 1 3 335.536 2.924 20 0 EFADHO O[C@@H](C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccccn1 ZINC001413058536 1312216419 /nfs/dbraw/zinc/21/64/19/1312216419.db2.gz ZFSTXFXDBLAKBT-DYXWJJEUSA-N 1 3 337.467 2.569 20 0 EFADHO O[C@@H](C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccccn1 ZINC001413058536 1312216421 /nfs/dbraw/zinc/21/64/21/1312216421.db2.gz ZFSTXFXDBLAKBT-DYXWJJEUSA-N 1 3 337.467 2.569 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001015615984 1312217913 /nfs/dbraw/zinc/21/79/13/1312217913.db2.gz OVMMMENKYIZGLT-CMKODMSKSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001015615984 1312217917 /nfs/dbraw/zinc/21/79/17/1312217917.db2.gz OVMMMENKYIZGLT-CMKODMSKSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)=CC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163007749 1312225295 /nfs/dbraw/zinc/22/52/95/1312225295.db2.gz YUGIIEMYYLFFDU-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2C1)N(C)C ZINC001048887603 1312225395 /nfs/dbraw/zinc/22/53/95/1312225395.db2.gz CSJVRWFRQORGBF-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2C1)N(C)C ZINC001048887603 1312225398 /nfs/dbraw/zinc/22/53/98/1312225398.db2.gz CSJVRWFRQORGBF-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)sc3C)C[C@@H]2C1)N(C)C ZINC001048888732 1312227527 /nfs/dbraw/zinc/22/75/27/1312227527.db2.gz VXPXTZVBZZOXPK-FGTMMUONSA-N 1 3 349.544 2.595 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)sc3C)C[C@@H]2C1)N(C)C ZINC001048888732 1312227531 /nfs/dbraw/zinc/22/75/31/1312227531.db2.gz VXPXTZVBZZOXPK-FGTMMUONSA-N 1 3 349.544 2.595 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001230367373 1312229977 /nfs/dbraw/zinc/22/99/77/1312229977.db2.gz WDCBLWFDICEBKF-UHFFFAOYSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230367025 1312230263 /nfs/dbraw/zinc/23/02/63/1312230263.db2.gz OKCVURNFCUHHLG-QGZVFWFLSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048891946 1312231300 /nfs/dbraw/zinc/23/13/00/1312231300.db2.gz XGLNCWLJJNTOFG-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048891946 1312231304 /nfs/dbraw/zinc/23/13/04/1312231304.db2.gz XGLNCWLJJNTOFG-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(CCC[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001230373934 1312231464 /nfs/dbraw/zinc/23/14/64/1312231464.db2.gz FQTKVKHVLADJTM-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(CC)Cc1cccc(NCC[C@@H]2CCOC23C[NH2+]C3)c1F ZINC001163096526 1312239704 /nfs/dbraw/zinc/23/97/04/1312239704.db2.gz VYAJPYPUPVOXJR-MRXNPFEDSA-N 1 3 335.467 2.848 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001015648374 1312244714 /nfs/dbraw/zinc/24/47/14/1312244714.db2.gz GSVSPRTUZOGCAF-FQEVSTJZSA-N 1 3 343.515 2.842 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001015648329 1312244848 /nfs/dbraw/zinc/24/48/48/1312244848.db2.gz GMHQXJXNJRVPNO-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1c(Cl)nnc(NC(=[NH2+])NCCN(CC)CC)c1CC ZINC001163125518 1312245834 /nfs/dbraw/zinc/24/58/34/1312245834.db2.gz FBPFJQGYCVNNGF-UHFFFAOYSA-N 1 3 326.876 2.533 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2ccc(SC)cc21 ZINC001163128992 1312247071 /nfs/dbraw/zinc/24/70/71/1312247071.db2.gz FEDJKUYMAFKFTL-UHFFFAOYSA-N 1 3 332.477 2.630 20 0 EFADHO c1cc2c(s1)[C@@H](Nc1cncc([C@H]3C[NH+]4CCC3CC4)n1)CNC2 ZINC001163227177 1312268607 /nfs/dbraw/zinc/26/86/07/1312268607.db2.gz RCBNGGGHVGHKCB-HOCLYGCPSA-N 1 3 341.484 2.604 20 0 EFADHO COc1cc2[nH+]ccc(N[C@@H]3CNCc4ccsc43)c2cc1OC ZINC001163228594 1312269671 /nfs/dbraw/zinc/26/96/71/1312269671.db2.gz LFCOLUCMGAILHA-OAHLLOKOSA-N 1 3 341.436 2.992 20 0 EFADHO Nc1[nH+]ccn1Cc1ccccc1N[C@@H]1CNCc2ccsc21 ZINC001163231178 1312270747 /nfs/dbraw/zinc/27/07/47/1312270747.db2.gz VJTAKQIBPPGUJO-OAHLLOKOSA-N 1 3 325.441 2.832 20 0 EFADHO c1cc(CN2CCCCC2)cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163277403 1312280844 /nfs/dbraw/zinc/28/08/44/1312280844.db2.gz FSDMWVVVBJNODG-UYAOXDASSA-N 1 3 344.503 2.638 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1)CC(C)(C)C ZINC001230606247 1312281672 /nfs/dbraw/zinc/28/16/72/1312281672.db2.gz VHBXPTZJCPLBOM-KRWDZBQOSA-N 1 3 341.515 2.637 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1)CC(C)(C)C ZINC001230606247 1312281676 /nfs/dbraw/zinc/28/16/76/1312281676.db2.gz VHBXPTZJCPLBOM-KRWDZBQOSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610623 1312282356 /nfs/dbraw/zinc/28/23/56/1312282356.db2.gz FHPAGWGSJRBYGN-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001230610623 1312282360 /nfs/dbraw/zinc/28/23/60/1312282360.db2.gz FHPAGWGSJRBYGN-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230610674 1312282652 /nfs/dbraw/zinc/28/26/52/1312282652.db2.gz GPQNGHRIWCXCRK-BHMZLHOFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230610674 1312282657 /nfs/dbraw/zinc/28/26/57/1312282657.db2.gz GPQNGHRIWCXCRK-BHMZLHOFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230611117 1312282768 /nfs/dbraw/zinc/28/27/68/1312282768.db2.gz MQJRWCLXYKWTBF-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230611117 1312282770 /nfs/dbraw/zinc/28/27/70/1312282770.db2.gz MQJRWCLXYKWTBF-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230617599 1312284735 /nfs/dbraw/zinc/28/47/35/1312284735.db2.gz DFLXWNMDIYXFMQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230617599 1312284737 /nfs/dbraw/zinc/28/47/37/1312284737.db2.gz DFLXWNMDIYXFMQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230622176 1312288032 /nfs/dbraw/zinc/28/80/32/1312288032.db2.gz KGMYVVBDYCEWCG-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230622176 1312288035 /nfs/dbraw/zinc/28/80/35/1312288035.db2.gz KGMYVVBDYCEWCG-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705663 1312289821 /nfs/dbraw/zinc/28/98/21/1312289821.db2.gz NQWTZVSLILTKQC-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705663 1312289825 /nfs/dbraw/zinc/28/98/25/1312289825.db2.gz NQWTZVSLILTKQC-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO Fc1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1CN1CCCC1 ZINC001163332505 1312291690 /nfs/dbraw/zinc/29/16/90/1312291690.db2.gz KEYCIIUFYFJXTR-PKOBYXMFSA-N 1 3 333.451 2.745 20 0 EFADHO CCOC(=O)N[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC(C)C ZINC000903065438 1312321262 /nfs/dbraw/zinc/32/12/62/1312321262.db2.gz FAMAFAJUSSSPRO-WRXVUKFLSA-N 1 3 337.508 2.895 20 0 EFADHO CCOC(=O)N[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(C)C ZINC000903065438 1312321266 /nfs/dbraw/zinc/32/12/66/1312321266.db2.gz FAMAFAJUSSSPRO-WRXVUKFLSA-N 1 3 337.508 2.895 20 0 EFADHO CCCC[N@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781408 1312340292 /nfs/dbraw/zinc/34/02/92/1312340292.db2.gz LYKDCDNDWHCKOC-IBGZPJMESA-N 1 3 348.535 2.776 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)[C@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230781408 1312340296 /nfs/dbraw/zinc/34/02/96/1312340296.db2.gz LYKDCDNDWHCKOC-IBGZPJMESA-N 1 3 348.535 2.776 20 0 EFADHO COCCC[NH+]1CCC(N[C@@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903087223 1312341725 /nfs/dbraw/zinc/34/17/25/1312341725.db2.gz CBXWZADTCYILHX-INIZCTEOSA-N 1 3 348.487 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@@H+](Cc1cccnc1)CC(C)C ZINC001230790127 1312344679 /nfs/dbraw/zinc/34/46/79/1312344679.db2.gz RWQUNBNFTMEANW-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@H+](Cc1cccnc1)CC(C)C ZINC001230790127 1312344682 /nfs/dbraw/zinc/34/46/82/1312344682.db2.gz RWQUNBNFTMEANW-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795501 1312365688 /nfs/dbraw/zinc/36/56/88/1312365688.db2.gz RBPWKBIFYBWEKG-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795501 1312365693 /nfs/dbraw/zinc/36/56/93/1312365693.db2.gz RBPWKBIFYBWEKG-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001015795501 1312365697 /nfs/dbraw/zinc/36/56/97/1312365697.db2.gz RBPWKBIFYBWEKG-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001015795296 1312365919 /nfs/dbraw/zinc/36/59/19/1312365919.db2.gz OACSUXGSSBVEPU-SJORKVTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795296 1312365922 /nfs/dbraw/zinc/36/59/22/1312365922.db2.gz OACSUXGSSBVEPU-SJORKVTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795296 1312365927 /nfs/dbraw/zinc/36/59/27/1312365927.db2.gz OACSUXGSSBVEPU-SJORKVTESA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796629 1312366476 /nfs/dbraw/zinc/36/64/76/1312366476.db2.gz YZBVDBLUNJVJEZ-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001015796725 1312366938 /nfs/dbraw/zinc/36/69/38/1312366938.db2.gz PGDVWRYIXKHEKM-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796632 1312367314 /nfs/dbraw/zinc/36/73/14/1312367314.db2.gz YZBVDBLUNJVJEZ-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230841484 1312367373 /nfs/dbraw/zinc/36/73/73/1312367373.db2.gz SFDOYULSPRXUBW-LJQANCHMSA-N 1 3 348.535 2.632 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)[C@@H](C(C)C)N(C)C)Cc1cccnc1 ZINC001230841484 1312367375 /nfs/dbraw/zinc/36/73/75/1312367375.db2.gz SFDOYULSPRXUBW-LJQANCHMSA-N 1 3 348.535 2.632 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c(C)s1 ZINC001015796905 1312368160 /nfs/dbraw/zinc/36/81/60/1312368160.db2.gz SVCVGTARHDWYME-GOSISDBHSA-N 1 3 349.544 2.787 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[N@H+](CC)Cc1cccnc1 ZINC001230871688 1312375312 /nfs/dbraw/zinc/37/53/12/1312375312.db2.gz OMYDBFLJSPNMCP-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[N@@H+](CC)Cc1cccnc1 ZINC001230871688 1312375316 /nfs/dbraw/zinc/37/53/16/1312375316.db2.gz OMYDBFLJSPNMCP-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CCCCC[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871921 1312375374 /nfs/dbraw/zinc/37/53/74/1312375374.db2.gz VCRUSMXPDNOZKY-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CCCCC[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871921 1312375377 /nfs/dbraw/zinc/37/53/77/1312375377.db2.gz VCRUSMXPDNOZKY-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1C ZINC001277469171 1312379551 /nfs/dbraw/zinc/37/95/51/1312379551.db2.gz FFOXTKBULNAOFH-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)N1CCN(Cc2ccc(N[C@H](C)C[NH+](C)C)c(F)c2)CC1 ZINC001163785881 1312384285 /nfs/dbraw/zinc/38/42/85/1312384285.db2.gz IWOXCEPEGYMRGV-MRXNPFEDSA-N 1 3 336.499 2.714 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)C[C@@H](C)CC ZINC001230905557 1312387462 /nfs/dbraw/zinc/38/74/62/1312387462.db2.gz IBAUTNMIHILXDF-SFHVURJKSA-N 1 3 348.535 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@H+](Cc1cccnc1)C[C@@H](C)CC ZINC001230905557 1312387465 /nfs/dbraw/zinc/38/74/65/1312387465.db2.gz IBAUTNMIHILXDF-SFHVURJKSA-N 1 3 348.535 2.778 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC001163822158 1312388391 /nfs/dbraw/zinc/38/83/91/1312388391.db2.gz UBVYBDQCOKMZGE-MAUKXSAKSA-N 1 3 347.478 2.857 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049038364 1312391439 /nfs/dbraw/zinc/39/14/39/1312391439.db2.gz GBKYKZQLTNIGCE-RSPOEFSDSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049038364 1312391444 /nfs/dbraw/zinc/39/14/44/1312391444.db2.gz GBKYKZQLTNIGCE-RSPOEFSDSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001049057759 1312412912 /nfs/dbraw/zinc/41/29/12/1312412912.db2.gz RSHQPMCGXHKISL-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001049057759 1312412915 /nfs/dbraw/zinc/41/29/15/1312412915.db2.gz RSHQPMCGXHKISL-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057676 1312412983 /nfs/dbraw/zinc/41/29/83/1312412983.db2.gz QMRPYBNZHZHBDV-BWPNAZKDSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057676 1312412986 /nfs/dbraw/zinc/41/29/86/1312412986.db2.gz QMRPYBNZHZHBDV-BWPNAZKDSA-N 1 3 341.499 2.622 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060523 1312415347 /nfs/dbraw/zinc/41/53/47/1312415347.db2.gz UJBZZXBPVJHDHV-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049060523 1312415351 /nfs/dbraw/zinc/41/53/51/1312415351.db2.gz UJBZZXBPVJHDHV-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2C1)N(C)C ZINC001049065783 1312418719 /nfs/dbraw/zinc/41/87/19/1312418719.db2.gz XJWAWBYEPAGOFQ-NSHGMRRFSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)cccc3C)C[C@@H]2C1)N(C)C ZINC001049065783 1312418722 /nfs/dbraw/zinc/41/87/22/1312418722.db2.gz XJWAWBYEPAGOFQ-NSHGMRRFSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001049065306 1312418771 /nfs/dbraw/zinc/41/87/71/1312418771.db2.gz QGMJUTSRKAFXKY-DUBPFDJUSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001049065306 1312418772 /nfs/dbraw/zinc/41/87/72/1312418772.db2.gz QGMJUTSRKAFXKY-DUBPFDJUSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001049067088 1312419791 /nfs/dbraw/zinc/41/97/91/1312419791.db2.gz QIPLAJIAGNKIAQ-GGXPGOJBSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001049067088 1312419794 /nfs/dbraw/zinc/41/97/94/1312419794.db2.gz QIPLAJIAGNKIAQ-GGXPGOJBSA-N 1 3 347.478 2.617 20 0 EFADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H]1c1ccccc1 ZINC000903172173 1312427752 /nfs/dbraw/zinc/42/77/52/1312427752.db2.gz MQUBMLMTFWLCJV-OOHWTWPMSA-N 1 3 326.484 2.900 20 0 EFADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H]1c1ccccc1 ZINC000903172173 1312427756 /nfs/dbraw/zinc/42/77/56/1312427756.db2.gz MQUBMLMTFWLCJV-OOHWTWPMSA-N 1 3 326.484 2.900 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001015925681 1312451259 /nfs/dbraw/zinc/45/12/59/1312451259.db2.gz BSLDKOYFCKEUJH-FQEVSTJZSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097190 1312452914 /nfs/dbraw/zinc/45/29/14/1312452914.db2.gz HKJPGGNDGGLLRS-OKYOBFRVSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097190 1312452916 /nfs/dbraw/zinc/45/29/16/1312452916.db2.gz HKJPGGNDGGLLRS-OKYOBFRVSA-N 1 3 335.536 2.686 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCOC34CCCC4)CC2)ccn1 ZINC000903198147 1312453706 /nfs/dbraw/zinc/45/37/06/1312453706.db2.gz ATGBINKXQDJVHR-LJQANCHMSA-N 1 3 329.488 2.985 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903205535 1312461769 /nfs/dbraw/zinc/46/17/69/1312461769.db2.gz CKAPIWCUHKFQFS-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CC(=O)Oc1c[nH]c2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc12 ZINC001164213406 1312469876 /nfs/dbraw/zinc/46/98/76/1312469876.db2.gz UWGBRKZNKIRRDC-UHFFFAOYSA-N 1 3 344.459 2.531 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997655 1312499924 /nfs/dbraw/zinc/49/99/24/1312499924.db2.gz FOPSMMBOEVOOGU-APWZRJJASA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997655 1312499928 /nfs/dbraw/zinc/49/99/28/1312499928.db2.gz FOPSMMBOEVOOGU-APWZRJJASA-N 1 3 341.499 2.596 20 0 EFADHO CC/C=C\CC[NH+]1CCC(N2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001277529091 1312518998 /nfs/dbraw/zinc/51/89/98/1312518998.db2.gz FZYFMYAZVFEZTJ-ARJAWSKDSA-N 1 3 345.531 2.918 20 0 EFADHO CC(C)(C(=O)NCCC1(C[NH2+]CCC2CC2)CC1)N1CCCCC1 ZINC001164536797 1312535922 /nfs/dbraw/zinc/53/59/22/1312535922.db2.gz QCPCJHDULNKNKR-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC[N@@H+]1C ZINC001164582049 1312543550 /nfs/dbraw/zinc/54/35/50/1312543550.db2.gz DXICRLPCUNOVNA-CHWSQXEVSA-N 1 3 348.318 2.522 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC[N@H+]1C ZINC001164582049 1312543553 /nfs/dbraw/zinc/54/35/53/1312543553.db2.gz DXICRLPCUNOVNA-CHWSQXEVSA-N 1 3 348.318 2.522 20 0 EFADHO Cc1nc(-n2cc(CN3CC[NH2+]CC3)c3cccnc32)cc2[nH]ccc21 ZINC001165079142 1312564220 /nfs/dbraw/zinc/56/42/20/1312564220.db2.gz CKPBWUUUBNUHRI-UHFFFAOYSA-N 1 3 346.438 2.615 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231651 1312605930 /nfs/dbraw/zinc/60/59/30/1312605930.db2.gz IAIWXTWDJUYYGC-BGYRXZFFSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231651 1312605934 /nfs/dbraw/zinc/60/59/34/1312605934.db2.gz IAIWXTWDJUYYGC-BGYRXZFFSA-N 1 3 343.515 2.798 20 0 EFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232015952 1312606203 /nfs/dbraw/zinc/60/62/03/1312606203.db2.gz OUKQRHZRHUXVNH-SFHVURJKSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232015952 1312606205 /nfs/dbraw/zinc/60/62/05/1312606205.db2.gz OUKQRHZRHUXVNH-SFHVURJKSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232015952 1312606208 /nfs/dbraw/zinc/60/62/08/1312606208.db2.gz OUKQRHZRHUXVNH-SFHVURJKSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232015952 1312606212 /nfs/dbraw/zinc/60/62/12/1312606212.db2.gz OUKQRHZRHUXVNH-SFHVURJKSA-N 1 3 328.460 2.638 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231841 1312606204 /nfs/dbraw/zinc/60/62/04/1312606204.db2.gz MTVJZLWFMHXTCV-AMBYYYRHSA-N 1 3 335.536 2.686 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231841 1312606209 /nfs/dbraw/zinc/60/62/09/1312606209.db2.gz MTVJZLWFMHXTCV-AMBYYYRHSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232370 1312606753 /nfs/dbraw/zinc/60/67/53/1312606753.db2.gz UMMUXGCDVLEBDM-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232370 1312606757 /nfs/dbraw/zinc/60/67/57/1312606757.db2.gz UMMUXGCDVLEBDM-LFGUQSLTSA-N 1 3 347.547 2.830 20 0 EFADHO c1c2ccncc2[nH]c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001232089880 1312622248 /nfs/dbraw/zinc/62/22/48/1312622248.db2.gz FRQRGHMXDBUPHE-UHFFFAOYSA-N 1 3 342.487 2.887 20 0 EFADHO CCN1CCC2(CCN(Cc3cc(F)cc(C[NH+](C)C)c3)CC2)C1=O ZINC001232150534 1312635557 /nfs/dbraw/zinc/63/55/57/1312635557.db2.gz YIKAWEPIVLFXML-UHFFFAOYSA-N 1 3 347.478 2.722 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC001165485062 1312636226 /nfs/dbraw/zinc/63/62/26/1312636226.db2.gz KUTJFZRIYNCELW-SFHVURJKSA-N 1 3 333.520 2.703 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC001165485473 1312637103 /nfs/dbraw/zinc/63/71/03/1312637103.db2.gz XAYOMIGUYGKILY-APWZRJJASA-N 1 3 343.515 2.964 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001165492311 1312638343 /nfs/dbraw/zinc/63/83/43/1312638343.db2.gz PTVWPLZQAJKBQU-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001165616798 1312653203 /nfs/dbraw/zinc/65/32/03/1312653203.db2.gz BUWASTQQCCDPCZ-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO CCOC(=O)/C=C/c1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC001245129395 1314442732 /nfs/dbraw/zinc/44/27/32/1314442732.db2.gz UEMWFLJKMSOIRR-VMPITWQZSA-N 1 3 337.423 2.735 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)CC1 ZINC001052897801 1314458761 /nfs/dbraw/zinc/45/87/61/1314458761.db2.gz NBOHRPAUARLGQK-SFHVURJKSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001052897801 1314458764 /nfs/dbraw/zinc/45/87/64/1314458764.db2.gz NBOHRPAUARLGQK-SFHVURJKSA-N 1 3 340.471 2.740 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233639 1314461120 /nfs/dbraw/zinc/46/11/20/1314461120.db2.gz KOTHVFDHACYBLO-LJQANCHMSA-N 1 3 329.488 2.909 20 0 EFADHO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250523 1314463112 /nfs/dbraw/zinc/46/31/12/1314463112.db2.gz VDCALLCPNLTFAB-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269417 1314466752 /nfs/dbraw/zinc/46/67/52/1314466752.db2.gz QPAQDAQDECTSMN-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211269931 1314467085 /nfs/dbraw/zinc/46/70/85/1314467085.db2.gz VWBVPVPXDVFTGU-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(CCC[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211275937 1314467395 /nfs/dbraw/zinc/46/73/95/1314467395.db2.gz CLVXFXCGDRJYNZ-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001211276840 1314468096 /nfs/dbraw/zinc/46/80/96/1314468096.db2.gz JFOXILOXLKIGJF-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001211278652 1314468133 /nfs/dbraw/zinc/46/81/33/1314468133.db2.gz SVCJMXWTUZMKSN-AWEZNQCLSA-N 1 3 337.430 2.640 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001211276838 1314468281 /nfs/dbraw/zinc/46/82/81/1314468281.db2.gz JCPIKNJDCYXEST-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001211284224 1314469156 /nfs/dbraw/zinc/46/91/56/1314469156.db2.gz JTCSKRBHLKLYSH-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001211285779 1314469680 /nfs/dbraw/zinc/46/96/80/1314469680.db2.gz RJNKTROUZOKZLM-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N1CCCC1 ZINC001211377286 1314488369 /nfs/dbraw/zinc/48/83/69/1314488369.db2.gz VXQICRUOHYALGW-KURKYZTESA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N1CCCC1 ZINC001211377286 1314488371 /nfs/dbraw/zinc/48/83/71/1314488371.db2.gz VXQICRUOHYALGW-KURKYZTESA-N 1 3 341.515 2.683 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376144 1314488386 /nfs/dbraw/zinc/48/83/86/1314488386.db2.gz HJKXZRVINRKBFX-YSNLUETFSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376144 1314488389 /nfs/dbraw/zinc/48/83/89/1314488389.db2.gz HJKXZRVINRKBFX-YSNLUETFSA-N 1 3 335.536 2.900 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932078 1314490451 /nfs/dbraw/zinc/49/04/51/1314490451.db2.gz GZDPVAHUSQWOGX-SJORKVTESA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932078 1314490455 /nfs/dbraw/zinc/49/04/55/1314490455.db2.gz GZDPVAHUSQWOGX-SJORKVTESA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052955946 1314515306 /nfs/dbraw/zinc/51/53/06/1314515306.db2.gz MLDAFCWDEKYBEN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052955946 1314515310 /nfs/dbraw/zinc/51/53/10/1314515310.db2.gz MLDAFCWDEKYBEN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001019820494 1314516109 /nfs/dbraw/zinc/51/61/09/1314516109.db2.gz MEWGMUDAFYEHBR-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO O=C(C=C1CCC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052990061 1314546271 /nfs/dbraw/zinc/54/62/71/1314546271.db2.gz JGBOOGATOKQBIS-BGYRXZFFSA-N 1 3 343.515 2.646 20 0 EFADHO CC[C@H]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052990416 1314546412 /nfs/dbraw/zinc/54/64/12/1314546412.db2.gz CIVPNSRRDCDVGQ-IJXRJRJASA-N 1 3 347.547 2.972 20 0 EFADHO CCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052990904 1314547261 /nfs/dbraw/zinc/54/72/61/1314547261.db2.gz RFUMNWHEZSJHPA-OQIJWPOYSA-N 1 3 333.520 2.582 20 0 EFADHO NC1(C[NH2+]C[C@@H](O)COCc2c(Cl)cccc2Cl)CCCC1 ZINC001245975781 1314557716 /nfs/dbraw/zinc/55/77/16/1314557716.db2.gz QUYXRTZBEYTDHY-GFCCVEGCSA-N 1 3 347.286 2.732 20 0 EFADHO Cc1ccc(C)c(CCNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)c1 ZINC001245974509 1314557755 /nfs/dbraw/zinc/55/77/55/1314557755.db2.gz LGKFWFDQHIHZTA-VQTJNVASSA-N 1 3 348.437 2.645 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980565 1314559224 /nfs/dbraw/zinc/55/92/24/1314559224.db2.gz BUTIQWDEHJLFHT-XCDZQEORSA-N 1 3 326.525 2.558 20 0 EFADHO O[C@]1(C[NH2+]CCSCc2c(Cl)cccc2Cl)CCCNC1 ZINC001245982691 1314559406 /nfs/dbraw/zinc/55/94/06/1314559406.db2.gz FOWVTHXXIGWVKN-OAHLLOKOSA-N 1 3 349.327 2.931 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245985479 1314559965 /nfs/dbraw/zinc/55/99/65/1314559965.db2.gz UDRWKYPSQRIIMW-JZXOWHBKSA-N 1 3 334.504 2.702 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001245988303 1314560785 /nfs/dbraw/zinc/56/07/85/1314560785.db2.gz OUIOFEQGPGLPAF-RBUKOAKNSA-N 1 3 334.410 2.548 20 0 EFADHO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245993974 1314561913 /nfs/dbraw/zinc/56/19/13/1314561913.db2.gz LYSADYOFRWTAEH-SLFFLAALSA-N 1 3 346.421 2.781 20 0 EFADHO Cc1ccc(CC2(CNC[C@@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001245999546 1314563608 /nfs/dbraw/zinc/56/36/08/1314563608.db2.gz KRKNOJXAKHPVGM-LEWJYISDSA-N 1 3 338.495 2.838 20 0 EFADHO CCC1([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CCNCC1 ZINC001246006531 1314564615 /nfs/dbraw/zinc/56/46/15/1314564615.db2.gz KYJFTUUZJGMWPX-QGZVFWFLSA-N 1 3 334.504 2.846 20 0 EFADHO CCC1(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC[NH2+]CC1 ZINC001246006531 1314564612 /nfs/dbraw/zinc/56/46/12/1314564612.db2.gz KYJFTUUZJGMWPX-QGZVFWFLSA-N 1 3 334.504 2.846 20 0 EFADHO O[C@]1(C[NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)CCCNC1 ZINC001246009229 1314564910 /nfs/dbraw/zinc/56/49/10/1314564910.db2.gz WUHFHZAIJYMOBM-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@]1(CNC2(Cc3ccc(C(F)(F)F)cc3)CCC2)CCC[NH2+]C1 ZINC001246009229 1314564915 /nfs/dbraw/zinc/56/49/15/1314564915.db2.gz WUHFHZAIJYMOBM-QGZVFWFLSA-N 1 3 342.405 2.875 20 0 EFADHO C[C@@]1(C[NH3+])CCCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001246019594 1314566952 /nfs/dbraw/zinc/56/69/52/1314566952.db2.gz GFQOEGGONMVJQC-WBVHZDCISA-N 1 3 326.868 2.531 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246023746 1314567952 /nfs/dbraw/zinc/56/79/52/1314567952.db2.gz SRELZSIVPHYDEQ-FXAWDEMLSA-N 1 3 334.504 2.927 20 0 EFADHO C[C@]1([NH3+])CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001246025414 1314568513 /nfs/dbraw/zinc/56/85/13/1314568513.db2.gz YEJHDZTXALFSNO-PXNSSMCTSA-N 1 3 328.456 2.783 20 0 EFADHO [NH3+]C[C@@H]1CCCCN(C[C@@H](O)COc2cccc3ccccc32)C1 ZINC001246034142 1314571299 /nfs/dbraw/zinc/57/12/99/1314571299.db2.gz MUVBLHCTQVFXNJ-FUHWJXTLSA-N 1 3 328.456 2.640 20 0 EFADHO CCC[N@H+](Cc1cccc(Br)c1)C[C@]1(O)CCCNC1 ZINC001246046752 1314573678 /nfs/dbraw/zinc/57/36/78/1314573678.db2.gz QPQHOKZFAYUOTC-INIZCTEOSA-N 1 3 341.293 2.776 20 0 EFADHO CCC[N@@H+](Cc1cccc(Br)c1)C[C@]1(O)CCCNC1 ZINC001246046752 1314573682 /nfs/dbraw/zinc/57/36/82/1314573682.db2.gz QPQHOKZFAYUOTC-INIZCTEOSA-N 1 3 341.293 2.776 20 0 EFADHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C[C@H](O)C(c1ccccc1)c1ccccc1)C2 ZINC001246048221 1314573938 /nfs/dbraw/zinc/57/39/38/1314573938.db2.gz YYOCFBZTHXTHOZ-IIZPIQPGSA-N 1 3 336.479 2.849 20 0 EFADHO C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246050731 1314574502 /nfs/dbraw/zinc/57/45/02/1314574502.db2.gz ZIFLZMWJPXXGCM-CAYVGHNUSA-N 1 3 346.421 2.642 20 0 EFADHO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246050731 1314574503 /nfs/dbraw/zinc/57/45/03/1314574503.db2.gz ZIFLZMWJPXXGCM-CAYVGHNUSA-N 1 3 346.421 2.642 20 0 EFADHO O[C@]1(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CCCNC1 ZINC001246049950 1314574657 /nfs/dbraw/zinc/57/46/57/1314574657.db2.gz TVTMCEHHBUQVGA-QGZVFWFLSA-N 1 3 342.405 2.999 20 0 EFADHO O[C@]1(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056513 1314576060 /nfs/dbraw/zinc/57/60/60/1314576060.db2.gz PGSYMVSVKNOPBQ-GOEBONIOSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056513 1314576064 /nfs/dbraw/zinc/57/60/64/1314576064.db2.gz PGSYMVSVKNOPBQ-GOEBONIOSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(C[N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061132 1314577109 /nfs/dbraw/zinc/57/71/09/1314577109.db2.gz HLENPDBGVUQQSD-HZPDHXFCSA-N 1 3 344.377 2.837 20 0 EFADHO O[C@]1(C[N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061132 1314577110 /nfs/dbraw/zinc/57/71/10/1314577110.db2.gz HLENPDBGVUQQSD-HZPDHXFCSA-N 1 3 344.377 2.837 20 0 EFADHO O[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061134 1314577713 /nfs/dbraw/zinc/57/77/13/1314577713.db2.gz HLENPDBGVUQQSD-JKSUJKDBSA-N 1 3 344.377 2.837 20 0 EFADHO O[C@]1(C[N@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061134 1314577718 /nfs/dbraw/zinc/57/77/18/1314577718.db2.gz HLENPDBGVUQQSD-JKSUJKDBSA-N 1 3 344.377 2.837 20 0 EFADHO CC(C)(C)C[N@H+](C[C@@H](O)COc1cccc(F)c1)C1CCNCC1 ZINC001246070504 1314579049 /nfs/dbraw/zinc/57/90/49/1314579049.db2.gz RINVVDYMAQWKNK-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)C[N@@H+](C[C@@H](O)COc1cccc(F)c1)C1CCNCC1 ZINC001246070504 1314579054 /nfs/dbraw/zinc/57/90/54/1314579054.db2.gz RINVVDYMAQWKNK-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)CN(C[C@@H](O)COc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246070504 1314579059 /nfs/dbraw/zinc/57/90/59/1314579059.db2.gz RINVVDYMAQWKNK-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO O[C@@]1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246094946 1314582758 /nfs/dbraw/zinc/58/27/58/1314582758.db2.gz HKUQROPNGNRGAZ-YOEHRIQHSA-N 1 3 343.298 2.945 20 0 EFADHO O[C@@]1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CCCCNC1 ZINC001246101213 1314582816 /nfs/dbraw/zinc/58/28/16/1314582816.db2.gz YWEKWNYVAZPMBQ-MNLRITNHSA-N 1 3 328.500 2.907 20 0 EFADHO C[C@@H]1CC[C@H](CN[C@H]2CCCN(C(=O)c3ccccc3)CC2)[NH2+]C1 ZINC001246101815 1314583611 /nfs/dbraw/zinc/58/36/11/1314583611.db2.gz BFJHMKGLCIQZNJ-NZSAHSFTSA-N 1 3 329.488 2.659 20 0 EFADHO Clc1cc(Cl)c2c(c1)CC[C@@H](NC[C@]13C[NH2+]C[C@H]1COC3)C2 ZINC001246133865 1314587662 /nfs/dbraw/zinc/58/76/62/1314587662.db2.gz KHYDXJJLHYLOGS-QEORTHHSSA-N 1 3 341.282 2.676 20 0 EFADHO C[C@@H](CSc1ccc(Cl)cc1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246133524 1314587792 /nfs/dbraw/zinc/58/77/92/1314587792.db2.gz JZFADBCKXNAKSI-XEZPLFJOSA-N 1 3 326.893 2.646 20 0 EFADHO c1ccc2c(c1)CCC21CCC(N[C@H]2COCCC23C[NH2+]C3)CC1 ZINC001246140130 1314588791 /nfs/dbraw/zinc/58/87/91/1314588791.db2.gz ZCANSVKFNNZEFQ-SYYJFZTOSA-N 1 3 326.484 2.781 20 0 EFADHO c1ccc2c(c1)CCC21CCC([NH2+][C@H]2COCCC23CNC3)CC1 ZINC001246140130 1314588796 /nfs/dbraw/zinc/58/87/96/1314588796.db2.gz ZCANSVKFNNZEFQ-SYYJFZTOSA-N 1 3 326.484 2.781 20 0 EFADHO c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2[C@H]3CNC[C@@H]2COC3)CC1 ZINC001246149033 1314589907 /nfs/dbraw/zinc/58/99/07/1314589907.db2.gz PVDISEZGGYWDJC-WNFYPOLTSA-N 1 3 326.484 2.637 20 0 EFADHO COc1ccc2cc(CC[C@@H](C)[NH2+]C[C@@]3(O)CCCNC3)ccc2c1 ZINC001246231990 1314600016 /nfs/dbraw/zinc/60/00/16/1314600016.db2.gz PEGIROZHFRNJQJ-IIBYNOLFSA-N 1 3 342.483 2.874 20 0 EFADHO c1ccc(CN(CC2=NCCN2[C@@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001246269045 1314604461 /nfs/dbraw/zinc/60/44/61/1314604461.db2.gz KNVDLNZGLNMFDI-HXUWFJFHSA-N 1 3 334.467 2.769 20 0 EFADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@H+](C)C1CCNCC1 ZINC001246283620 1314606434 /nfs/dbraw/zinc/60/64/34/1314606434.db2.gz WGAYVHQKDHFPMP-LESCRADOSA-N 1 3 342.524 2.832 20 0 EFADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)[N@@H+](C)C1CCNCC1 ZINC001246283620 1314606437 /nfs/dbraw/zinc/60/64/37/1314606437.db2.gz WGAYVHQKDHFPMP-LESCRADOSA-N 1 3 342.524 2.832 20 0 EFADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C1CC[NH2+]CC1 ZINC001246283620 1314606441 /nfs/dbraw/zinc/60/64/41/1314606441.db2.gz WGAYVHQKDHFPMP-LESCRADOSA-N 1 3 342.524 2.832 20 0 EFADHO Cc1cccc(C2(C[NH2+]C3CCNCC3)CCC3(CC2)OCCO3)c1 ZINC001246329514 1314610615 /nfs/dbraw/zinc/61/06/15/1314610615.db2.gz PVRFJIWKKRIDPI-UHFFFAOYSA-N 1 3 344.499 2.892 20 0 EFADHO Clc1cc(Cl)c(Cl)c(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246339803 1314612826 /nfs/dbraw/zinc/61/28/26/1314612826.db2.gz CLYSMSCRPSGJIP-LLVKDONJSA-N 1 3 334.678 2.830 20 0 EFADHO Clc1ccc(Cl)c(CN[C@@H]2CCNC3(C[NH2+]C3)C2)c1Cl ZINC001246345695 1314613373 /nfs/dbraw/zinc/61/33/73/1314613373.db2.gz KBNQTFJIWHODBA-SECBINFHSA-N 1 3 334.678 2.830 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246348809 1314614486 /nfs/dbraw/zinc/61/44/86/1314614486.db2.gz MCTSEMBGMCTFIR-HPEXNQPKSA-N 1 3 332.822 2.906 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246357583 1314614675 /nfs/dbraw/zinc/61/46/75/1314614675.db2.gz BFTNKPBXEQZIOF-WFASDCNBSA-N 1 3 341.421 2.798 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356956 1314615381 /nfs/dbraw/zinc/61/53/81/1314615381.db2.gz XMQAFSDMJSGMSA-WFASDCNBSA-N 1 3 341.421 2.798 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CCN[C@H](C)C2)CC1 ZINC001246361810 1314615888 /nfs/dbraw/zinc/61/58/88/1314615888.db2.gz YJZUUJWEPXIIAX-KDOFPFPSSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041066 1314621827 /nfs/dbraw/zinc/62/18/27/1314621827.db2.gz XHYYDMBZEOWSMQ-MSOLQXFVSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041066 1314621831 /nfs/dbraw/zinc/62/18/31/1314621831.db2.gz XHYYDMBZEOWSMQ-MSOLQXFVSA-N 1 3 346.519 2.949 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246391427 1314622171 /nfs/dbraw/zinc/62/21/71/1314622171.db2.gz ANEYIWKGUGRBQW-BNEJOLLZSA-N 1 3 333.451 2.597 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042670 1314623547 /nfs/dbraw/zinc/62/35/47/1314623547.db2.gz QOSOUWFPVAFFEO-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042670 1314623551 /nfs/dbraw/zinc/62/35/51/1314623551.db2.gz QOSOUWFPVAFFEO-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246404899 1314624156 /nfs/dbraw/zinc/62/41/56/1314624156.db2.gz ITJGPPDNYFVBHR-IKGGRYGDSA-N 1 3 341.503 2.755 20 0 EFADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415784 1314627107 /nfs/dbraw/zinc/62/71/07/1314627107.db2.gz KTQSIFUVALQFRH-HIFRSBDPSA-N 1 3 341.521 2.643 20 0 EFADHO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CCNCC2)C1 ZINC001246428214 1314627676 /nfs/dbraw/zinc/62/76/76/1314627676.db2.gz FUENBICUBKUUKI-SJLPKXTDSA-N 1 3 330.472 2.977 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046030 1314629910 /nfs/dbraw/zinc/62/99/10/1314629910.db2.gz GXXTYETXUQROAZ-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046030 1314629915 /nfs/dbraw/zinc/62/99/15/1314629915.db2.gz GXXTYETXUQROAZ-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO Clc1cccc(-c2nc(CN[C@H]3CCNC4(C[NH2+]C4)C3)cs2)c1 ZINC001246451283 1314630518 /nfs/dbraw/zinc/63/05/18/1314630518.db2.gz ZXDLQMHFFGZIGV-AWEZNQCLSA-N 1 3 348.903 2.647 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001020144135 1314631006 /nfs/dbraw/zinc/63/10/06/1314631006.db2.gz REUQREANTBBXGE-VAMGGRTRSA-N 1 3 343.515 2.647 20 0 EFADHO CC[C@@H]1C[C@H](N[C@@H](CN2CCOCC2)C(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246486490 1314636277 /nfs/dbraw/zinc/63/62/77/1314636277.db2.gz BXPCIMAGHDUJDR-MLHJIOFPSA-N 1 3 325.541 2.632 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4cc(F)c(F)cc4C3)CC2)NC1 ZINC001246493536 1314636521 /nfs/dbraw/zinc/63/65/21/1314636521.db2.gz HIBHJKUMBVKGBT-KRWDZBQOSA-N 1 3 345.437 2.864 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)NC1 ZINC001246494926 1314638196 /nfs/dbraw/zinc/63/81/96/1314638196.db2.gz MSSJXQUEZUOSKP-LJQANCHMSA-N 1 3 327.447 2.725 20 0 EFADHO c1ccc(C[C@H]2C[C@H](NC[C@@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246506407 1314639639 /nfs/dbraw/zinc/63/96/39/1314639639.db2.gz UEXCLGUBCXWFGU-FSSWDIPSSA-N 1 3 335.495 2.654 20 0 EFADHO C[NH2+]CC[C@H](C)NC[C@@H]1COc2ccc(Br)cc2C1 ZINC001246513978 1314640794 /nfs/dbraw/zinc/64/07/94/1314640794.db2.gz ZDZSRXRFASKGMU-NWDGAFQWSA-N 1 3 327.266 2.588 20 0 EFADHO [NH3+][C@H]1CCCN(C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001246546894 1314645525 /nfs/dbraw/zinc/64/55/25/1314645525.db2.gz NTCCDPREMBKHIU-ZDUSSCGKSA-N 1 3 342.409 2.882 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(CN)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246558001 1314648411 /nfs/dbraw/zinc/64/84/11/1314648411.db2.gz KCBBTPWVMFBOJG-KOUHRCEDSA-N 1 3 345.531 2.604 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(CN)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246558001 1314648415 /nfs/dbraw/zinc/64/84/15/1314648415.db2.gz KCBBTPWVMFBOJG-KOUHRCEDSA-N 1 3 345.531 2.604 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020172232 1314648913 /nfs/dbraw/zinc/64/89/13/1314648913.db2.gz RTODWWYBNDNWRN-KLHDSHLOSA-N 1 3 349.906 2.725 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001020172232 1314648916 /nfs/dbraw/zinc/64/89/16/1314648916.db2.gz RTODWWYBNDNWRN-KLHDSHLOSA-N 1 3 349.906 2.725 20 0 EFADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579181 1314651343 /nfs/dbraw/zinc/65/13/43/1314651343.db2.gz BABSDIAWNAYOQV-HKUYNNGSSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@@H]1CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579181 1314651346 /nfs/dbraw/zinc/65/13/46/1314651346.db2.gz BABSDIAWNAYOQV-HKUYNNGSSA-N 1 3 329.488 2.742 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](C)N([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246592404 1314653739 /nfs/dbraw/zinc/65/37/39/1314653739.db2.gz QPBNWGLEUQGDPP-NXWXRZEISA-N 1 3 330.472 2.623 20 0 EFADHO Clc1ccc2c(c1)C1(CN2)CC[NH+]([C@@H]2CCOC3(CNC3)C2)CC1 ZINC001246599376 1314655123 /nfs/dbraw/zinc/65/51/23/1314655123.db2.gz CMWCXNOGOGTHAS-OAHLLOKOSA-N 1 3 347.890 2.620 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H]([N@@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605151 1314656269 /nfs/dbraw/zinc/65/62/69/1314656269.db2.gz AIWCYPLBHYTBJG-FPOVZHCZSA-N 1 3 341.499 2.899 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H]([N@H+]2CCC[C@]23CCCNC3)CC1 ZINC001246605151 1314656274 /nfs/dbraw/zinc/65/62/74/1314656274.db2.gz AIWCYPLBHYTBJG-FPOVZHCZSA-N 1 3 341.499 2.899 20 0 EFADHO O=C1CC[C@@H]([N@@H+]2CCC[C@@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611957 1314656769 /nfs/dbraw/zinc/65/67/69/1314656769.db2.gz VBYLQIDWHQIEJN-TZIWHRDSSA-N 1 3 341.499 2.786 20 0 EFADHO O=C1CC[C@@H]([N@H+]2CCC[C@@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611957 1314656773 /nfs/dbraw/zinc/65/67/73/1314656773.db2.gz VBYLQIDWHQIEJN-TZIWHRDSSA-N 1 3 341.499 2.786 20 0 EFADHO c1ccc(COC2CCC(N3CCN[C@H]4CC[NH2+]CC[C@@H]43)CC2)cc1 ZINC001246617463 1314658393 /nfs/dbraw/zinc/65/83/93/1314658393.db2.gz GFFIUQTWJHVOJB-JSRAGOMMSA-N 1 3 343.515 2.540 20 0 EFADHO c1ccc(COC2CCC([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246617463 1314658397 /nfs/dbraw/zinc/65/83/97/1314658397.db2.gz GFFIUQTWJHVOJB-JSRAGOMMSA-N 1 3 343.515 2.540 20 0 EFADHO c1ccc(COC2CCC([N@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246617463 1314658400 /nfs/dbraw/zinc/65/84/00/1314658400.db2.gz GFFIUQTWJHVOJB-JSRAGOMMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699723 1314673248 /nfs/dbraw/zinc/67/32/48/1314673248.db2.gz YLIWJBKGALWARS-NBYUQASBSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699723 1314673253 /nfs/dbraw/zinc/67/32/53/1314673253.db2.gz YLIWJBKGALWARS-NBYUQASBSA-N 1 3 329.488 2.841 20 0 EFADHO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730624 1314676662 /nfs/dbraw/zinc/67/66/62/1314676662.db2.gz UNBQEZNQHWJDMK-QFUCXCTJSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@]3(CC[N@H+]([C@@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730624 1314676666 /nfs/dbraw/zinc/67/66/66/1314676666.db2.gz UNBQEZNQHWJDMK-QFUCXCTJSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733837 1314676727 /nfs/dbraw/zinc/67/67/27/1314676727.db2.gz HCAIRPZBSZRAFT-AFYVEPGGSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)CCN1 ZINC001246733837 1314676732 /nfs/dbraw/zinc/67/67/32/1314676732.db2.gz HCAIRPZBSZRAFT-AFYVEPGGSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725121 1314676769 /nfs/dbraw/zinc/67/67/69/1314676769.db2.gz XQNULKPJEYXCFH-SUMDDJOVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725121 1314676774 /nfs/dbraw/zinc/67/67/74/1314676774.db2.gz XQNULKPJEYXCFH-SUMDDJOVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725121 1314676777 /nfs/dbraw/zinc/67/67/77/1314676777.db2.gz XQNULKPJEYXCFH-SUMDDJOVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CC[NH2+]1 ZINC001246725127 1314676893 /nfs/dbraw/zinc/67/68/93/1314676893.db2.gz XQNULKPJEYXCFH-SZVBFZGTSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725127 1314676897 /nfs/dbraw/zinc/67/68/97/1314676897.db2.gz XQNULKPJEYXCFH-SZVBFZGTSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2ccsc2)C3)CCN1 ZINC001246725127 1314676899 /nfs/dbraw/zinc/67/68/99/1314676899.db2.gz XQNULKPJEYXCFH-SZVBFZGTSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CCN1 ZINC001246728144 1314676922 /nfs/dbraw/zinc/67/69/22/1314676922.db2.gz RVABGGTXCOBIJR-HZPDHXFCSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC[NH2+]1 ZINC001246728144 1314676925 /nfs/dbraw/zinc/67/69/25/1314676925.db2.gz RVABGGTXCOBIJR-HZPDHXFCSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755717 1314677367 /nfs/dbraw/zinc/67/73/67/1314677367.db2.gz QPSKARSUEFAJEK-BGTYHANMSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@@H]1CC[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755717 1314677371 /nfs/dbraw/zinc/67/73/71/1314677371.db2.gz QPSKARSUEFAJEK-BGTYHANMSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755722 1314677871 /nfs/dbraw/zinc/67/78/71/1314677871.db2.gz QPSKARSUEFAJEK-HPBDAGMYSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@H]1CC[C@@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755722 1314677875 /nfs/dbraw/zinc/67/78/75/1314677875.db2.gz QPSKARSUEFAJEK-HPBDAGMYSA-N 1 3 336.483 2.799 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C4C[C@H]5CC[C@@H](C4)[NH2+]5)C3)CC2=O)cc1 ZINC001246776048 1314680617 /nfs/dbraw/zinc/68/06/17/1314680617.db2.gz GTHWOLKAPHQVLX-LLZRPDQQSA-N 1 3 339.483 2.707 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CC[NH2+][C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781268 1314680779 /nfs/dbraw/zinc/68/07/79/1314680779.db2.gz RLVURTZIJQBDJZ-ILZDJORESA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCN[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781268 1314680782 /nfs/dbraw/zinc/68/07/82/1314680782.db2.gz RLVURTZIJQBDJZ-ILZDJORESA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CCN[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781268 1314680787 /nfs/dbraw/zinc/68/07/87/1314680787.db2.gz RLVURTZIJQBDJZ-ILZDJORESA-N 1 3 327.472 2.564 20 0 EFADHO Brc1cccc([C@@H]2CN([C@H]3CCC[NH2+]CC3)CCN2)c1 ZINC001246803357 1314684984 /nfs/dbraw/zinc/68/49/84/1314684984.db2.gz CAVVYJMVXXGRMA-HOTGVXAUSA-N 1 3 338.293 2.538 20 0 EFADHO Brc1cccc([C@@H]2CN([C@H]3CCCC[NH2+]C3)CCN2)c1 ZINC001246805384 1314685683 /nfs/dbraw/zinc/68/56/83/1314685683.db2.gz IXDFZPAQLLABDZ-HOTGVXAUSA-N 1 3 338.293 2.538 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N)C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806617 1314686144 /nfs/dbraw/zinc/68/61/44/1314686144.db2.gz XWTXOMYJTQMARX-NSSZEPTDSA-N 1 3 342.483 2.635 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N)C[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806617 1314686146 /nfs/dbraw/zinc/68/61/46/1314686146.db2.gz XWTXOMYJTQMARX-NSSZEPTDSA-N 1 3 342.483 2.635 20 0 EFADHO Brc1cccc([C@@H]2CN([C@@H]3CCCC[NH2+]C3)CCN2)c1 ZINC001246805381 1314686184 /nfs/dbraw/zinc/68/61/84/1314686184.db2.gz IXDFZPAQLLABDZ-CVEARBPZSA-N 1 3 338.293 2.538 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246811073 1314687757 /nfs/dbraw/zinc/68/77/57/1314687757.db2.gz RDRQBQXVWAIETP-QYZOEREBSA-N 1 3 330.472 2.625 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246811073 1314687762 /nfs/dbraw/zinc/68/77/62/1314687762.db2.gz RDRQBQXVWAIETP-QYZOEREBSA-N 1 3 330.472 2.625 20 0 EFADHO c1ccc(C[C@@H]2C[C@H](N3CCN[C@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246828985 1314691535 /nfs/dbraw/zinc/69/15/35/1314691535.db2.gz UOMJKXGDPGEDRB-VSKRKVRLSA-N 1 3 335.495 2.996 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246878644 1314702030 /nfs/dbraw/zinc/70/20/30/1314702030.db2.gz SMCWMAULTRTAKE-OQIJWPOYSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246878644 1314702035 /nfs/dbraw/zinc/70/20/35/1314702035.db2.gz SMCWMAULTRTAKE-OQIJWPOYSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246878644 1314702039 /nfs/dbraw/zinc/70/20/39/1314702039.db2.gz SMCWMAULTRTAKE-OQIJWPOYSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246878647 1314702052 /nfs/dbraw/zinc/70/20/52/1314702052.db2.gz SMCWMAULTRTAKE-XGXHKWSGSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246878647 1314702057 /nfs/dbraw/zinc/70/20/57/1314702057.db2.gz SMCWMAULTRTAKE-XGXHKWSGSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246878647 1314702061 /nfs/dbraw/zinc/70/20/61/1314702061.db2.gz SMCWMAULTRTAKE-XGXHKWSGSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246878643 1314702381 /nfs/dbraw/zinc/70/23/81/1314702381.db2.gz SMCWMAULTRTAKE-NXWXRZEISA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246878643 1314702386 /nfs/dbraw/zinc/70/23/86/1314702386.db2.gz SMCWMAULTRTAKE-NXWXRZEISA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@@H]1CCN[C@H](C)C1 ZINC001246878643 1314702391 /nfs/dbraw/zinc/70/23/91/1314702391.db2.gz SMCWMAULTRTAKE-NXWXRZEISA-N 1 3 330.472 2.938 20 0 EFADHO CC(C)(C)c1ccc(N2CC[NH+]([C@H]3CCOC4(CNC4)C3)CC2)cc1 ZINC001246891127 1314703797 /nfs/dbraw/zinc/70/37/97/1314703797.db2.gz MYCVQYOZMQXNTA-IBGZPJMESA-N 1 3 343.515 2.627 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889501 1314703844 /nfs/dbraw/zinc/70/38/44/1314703844.db2.gz FBGQWPZZUFBKQM-XMTFNYHQSA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889501 1314703846 /nfs/dbraw/zinc/70/38/46/1314703846.db2.gz FBGQWPZZUFBKQM-XMTFNYHQSA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889501 1314703848 /nfs/dbraw/zinc/70/38/48/1314703848.db2.gz FBGQWPZZUFBKQM-XMTFNYHQSA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889483 1314703926 /nfs/dbraw/zinc/70/39/26/1314703926.db2.gz FBGQWPZZUFBKQM-MHORFTMASA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889483 1314703929 /nfs/dbraw/zinc/70/39/29/1314703929.db2.gz FBGQWPZZUFBKQM-MHORFTMASA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889483 1314703930 /nfs/dbraw/zinc/70/39/30/1314703930.db2.gz FBGQWPZZUFBKQM-MHORFTMASA-N 1 3 340.508 2.730 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001053097997 1314710752 /nfs/dbraw/zinc/71/07/52/1314710752.db2.gz JALSPBCREVSPCM-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001053097997 1314710755 /nfs/dbraw/zinc/71/07/55/1314710755.db2.gz JALSPBCREVSPCM-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001246989690 1314725741 /nfs/dbraw/zinc/72/57/41/1314725741.db2.gz LKKIACPGYWWPMU-DLBZAZTESA-N 1 3 341.421 2.877 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001246989690 1314725747 /nfs/dbraw/zinc/72/57/47/1314725747.db2.gz LKKIACPGYWWPMU-DLBZAZTESA-N 1 3 341.421 2.877 20 0 EFADHO Clc1ccc2c(c1)[C@@H]1CN([C@@H]3CSC4(C[NH2+]C4)C3)CC[C@H]1N2 ZINC001247003486 1314729344 /nfs/dbraw/zinc/72/93/44/1314729344.db2.gz NOHAVXIGWSLMDD-DUVNUKRYSA-N 1 3 335.904 2.771 20 0 EFADHO c1ccc(CN2CCN(c3ccc4[nH]c([C@@H]5CC[NH2+]5)nc4c3)CC2)cc1 ZINC001247011114 1314730428 /nfs/dbraw/zinc/73/04/28/1314730428.db2.gz QAOJCTSZDDLPJU-IBGZPJMESA-N 1 3 347.466 2.920 20 0 EFADHO CN1CCN(c2ccc3[nH]c(CC[NH2+]C4CCCCC4)nc3c2)CC1 ZINC001247011828 1314730789 /nfs/dbraw/zinc/73/07/89/1314730789.db2.gz WBAGUGSOEYJHJG-UHFFFAOYSA-N 1 3 341.503 2.780 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214779942 1314736894 /nfs/dbraw/zinc/73/68/94/1314736894.db2.gz DSTKDYZQNCPBMC-MGPQQGTHSA-N 1 3 348.318 2.616 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC=C(Cl)Cl)C1 ZINC001214779942 1314736896 /nfs/dbraw/zinc/73/68/96/1314736896.db2.gz DSTKDYZQNCPBMC-MGPQQGTHSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001214861337 1314749597 /nfs/dbraw/zinc/74/95/97/1314749597.db2.gz RGBYAWNYYZTVCN-LAJIPVAHSA-N 1 3 341.499 2.621 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001214998299 1314767123 /nfs/dbraw/zinc/76/71/23/1314767123.db2.gz UDAAXLMVTMVOOH-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001215298905 1314811274 /nfs/dbraw/zinc/81/12/74/1314811274.db2.gz MJUOFGGBDAVCPQ-CHWSQXEVSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1F ZINC001215423604 1314833834 /nfs/dbraw/zinc/83/38/34/1314833834.db2.gz QDXZBTFPSNRAHO-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001215536605 1314846790 /nfs/dbraw/zinc/84/67/90/1314846790.db2.gz UZAFLMLRQMMUGP-QLFBSQMISA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540084 1314847647 /nfs/dbraw/zinc/84/76/47/1314847647.db2.gz IBLIBAQNZNJQCN-GPMSIDNRSA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540841 1314847961 /nfs/dbraw/zinc/84/79/61/1314847961.db2.gz RNDHXXUYKSBMAK-GPMSIDNRSA-N 1 3 339.499 2.602 20 0 EFADHO Cc1ccc(-c2ccccc2)c(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247831711 1314848931 /nfs/dbraw/zinc/84/89/31/1314848931.db2.gz VDMWBPQFIAMRET-SFHVURJKSA-N 1 3 346.434 2.988 20 0 EFADHO c1ccc([C@@H]2[NH2+]CC[C@H]2c2nc(-c3ccc4c(n3)CCNC4)no2)cc1 ZINC001247947112 1314871968 /nfs/dbraw/zinc/87/19/68/1314871968.db2.gz UFJIRTHKORJZRB-QAPCUYQASA-N 1 3 347.422 2.596 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001215774165 1314877008 /nfs/dbraw/zinc/87/70/08/1314877008.db2.gz KCIAHRXXCWZRMA-KFWWJZLASA-N 1 3 349.441 2.638 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353845 1314880731 /nfs/dbraw/zinc/88/07/31/1314880731.db2.gz PQEBYTKPYZPLLF-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353845 1314880735 /nfs/dbraw/zinc/88/07/35/1314880735.db2.gz PQEBYTKPYZPLLF-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001215989410 1314897387 /nfs/dbraw/zinc/89/73/87/1314897387.db2.gz AKGNQZQONKXVAJ-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)cc1 ZINC001215998998 1314898739 /nfs/dbraw/zinc/89/87/39/1314898739.db2.gz KUIRRXBXLPYAPL-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001215999235 1314898789 /nfs/dbraw/zinc/89/87/89/1314898789.db2.gz WDUHCMXUXIBZHS-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO c1ccc([C@H]2C[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001248283537 1314917256 /nfs/dbraw/zinc/91/72/56/1314917256.db2.gz JKMLDQQLRAEOSI-MAUKXSAKSA-N 1 3 347.422 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001216212646 1314927437 /nfs/dbraw/zinc/92/74/37/1314927437.db2.gz BOKDKAOOBVTBRJ-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001216212646 1314927439 /nfs/dbraw/zinc/92/74/39/1314927439.db2.gz BOKDKAOOBVTBRJ-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463891 1314949400 /nfs/dbraw/zinc/94/94/00/1314949400.db2.gz YNWPGGRPBBSSAX-GOSISDBHSA-N 1 3 334.423 2.647 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038463891 1314949401 /nfs/dbraw/zinc/94/94/01/1314949401.db2.gz YNWPGGRPBBSSAX-GOSISDBHSA-N 1 3 334.423 2.647 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038463891 1314949402 /nfs/dbraw/zinc/94/94/02/1314949402.db2.gz YNWPGGRPBBSSAX-GOSISDBHSA-N 1 3 334.423 2.647 20 0 EFADHO CCCCN1CCC([N@H+](C)Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772910 1314963732 /nfs/dbraw/zinc/96/37/32/1314963732.db2.gz RCFNXVHTKJPXEE-UHFFFAOYSA-N 1 3 327.476 2.964 20 0 EFADHO CCCCN1CCC([N@@H+](C)Cc2ccc(-n3nccn3)cc2)CC1 ZINC001248772910 1314963737 /nfs/dbraw/zinc/96/37/37/1314963737.db2.gz RCFNXVHTKJPXEE-UHFFFAOYSA-N 1 3 327.476 2.964 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001216510897 1314963890 /nfs/dbraw/zinc/96/38/90/1314963890.db2.gz CPXPZPDHYOSKIS-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001216511236 1314964670 /nfs/dbraw/zinc/96/46/70/1314964670.db2.gz NNPYAYKEGYADBV-OWCLPIDISA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001216511610 1314964829 /nfs/dbraw/zinc/96/48/29/1314964829.db2.gz XAEZSDURQWFGDW-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1nc3ccccc3s1)CC2 ZINC001276745923 1314992177 /nfs/dbraw/zinc/99/21/77/1314992177.db2.gz CBEDVSVPXWJFAM-UHFFFAOYSA-N 1 3 344.528 2.756 20 0 EFADHO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C[C@H]([NH3+])CC(F)F ZINC000404291151 1314996218 /nfs/dbraw/zinc/99/62/18/1314996218.db2.gz LCUVYBWHGFHPGP-QSJFSLAZSA-N 1 3 325.447 2.952 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4C[N@@H+](CCN(C)C)C[C@H]43)ccc2s1 ZINC001276747278 1315004004 /nfs/dbraw/zinc/00/40/04/1315004004.db2.gz YCAVSMRCXXPVCJ-FUHWJXTLSA-N 1 3 344.528 2.672 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4C[N@H+](CCN(C)C)C[C@H]43)ccc2s1 ZINC001276747278 1315004008 /nfs/dbraw/zinc/00/40/08/1315004008.db2.gz YCAVSMRCXXPVCJ-FUHWJXTLSA-N 1 3 344.528 2.672 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828514 1315012321 /nfs/dbraw/zinc/01/23/21/1315012321.db2.gz IIIYQZAVHKDRQT-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO CC1CC(CN2CC[C@@H]2CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001038555243 1315012610 /nfs/dbraw/zinc/01/26/10/1315012610.db2.gz KWQQFYSQJJZRHJ-FAFZWHIHSA-N 1 3 343.515 2.641 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829512 1315013125 /nfs/dbraw/zinc/01/31/25/1315013125.db2.gz ZKSWUOXGQQUFPO-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216841295 1315014488 /nfs/dbraw/zinc/01/44/88/1315014488.db2.gz TZGMHXSQUXZCEJ-GPMSIDNRSA-N 1 3 331.504 2.844 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2[C@H]2CCCc3ccccc32)CC1 ZINC001038660442 1315071198 /nfs/dbraw/zinc/07/11/98/1315071198.db2.gz BLGGAAXDZUBKDL-QUCCMNQESA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038661537 1315071360 /nfs/dbraw/zinc/07/13/60/1315071360.db2.gz GREORKJPBMIPLO-AEFFLSMTSA-N 1 3 329.488 2.588 20 0 EFADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276759596 1315103806 /nfs/dbraw/zinc/10/38/06/1315103806.db2.gz MYBXZJVDVOOZGC-ZMHJYQQXSA-N 1 3 326.488 2.766 20 0 EFADHO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276759596 1315103809 /nfs/dbraw/zinc/10/38/09/1315103809.db2.gz MYBXZJVDVOOZGC-ZMHJYQQXSA-N 1 3 326.488 2.766 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC001217929523 1315122046 /nfs/dbraw/zinc/12/20/46/1315122046.db2.gz KPDZQBGGHAKYIO-WJFTUGDTSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@H](CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC001217929523 1315122050 /nfs/dbraw/zinc/12/20/50/1315122050.db2.gz KPDZQBGGHAKYIO-WJFTUGDTSA-N 1 3 330.472 2.638 20 0 EFADHO C[C@H](CCCC(C)(C)O)CCN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276764649 1315126420 /nfs/dbraw/zinc/12/64/20/1315126420.db2.gz MCELHZIUCMNNAI-QRVBRYPASA-N 1 3 339.568 2.664 20 0 EFADHO CCC(=O)C1(c2cccc(O[C@@H]3CCC[NH2+]C3)c2)CCN(C)CC1 ZINC001218284337 1315174512 /nfs/dbraw/zinc/17/45/12/1315174512.db2.gz VMVQICFHRZLRJJ-GOSISDBHSA-N 1 3 330.472 2.760 20 0 EFADHO c1ccc(CN2CCOC[C@H](Oc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001218356424 1315183961 /nfs/dbraw/zinc/18/39/61/1315183961.db2.gz CRIBBQIXMAYRFY-OAQYLSRUSA-N 1 3 338.451 2.612 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054041242 1315208126 /nfs/dbraw/zinc/20/81/26/1315208126.db2.gz GNRGPWPLHMIKPN-NSISKUIASA-N 1 3 343.515 2.526 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054041242 1315208128 /nfs/dbraw/zinc/20/81/28/1315208128.db2.gz GNRGPWPLHMIKPN-NSISKUIASA-N 1 3 343.515 2.526 20 0 EFADHO CN(C)c1ccncc1NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC001218563386 1315215425 /nfs/dbraw/zinc/21/54/25/1315215425.db2.gz OIYDTFULYSLREO-UHFFFAOYSA-N 1 3 338.455 2.942 20 0 EFADHO Cc1sc(NC(=O)[C@H](N)CCC[NH3+])c(C(=O)c2ccccc2)c1C ZINC001218590543 1315219348 /nfs/dbraw/zinc/21/93/48/1315219348.db2.gz ZWRJTIGVVLEMNA-CQSZACIVSA-N 1 3 345.468 2.601 20 0 EFADHO NCc1cccc(C(=O)n2cc(N)c(=[NH2+])c(-c3cccc(F)c3)c2)c1 ZINC001218711571 1315233792 /nfs/dbraw/zinc/23/37/92/1315233792.db2.gz XBVYYQRIVYPABG-UHFFFAOYSA-N 1 3 336.370 2.503 20 0 EFADHO [NH3+][C@@H](CC(=O)Nc1cc([C@@H]2CCCN2)no1)Cc1ccccc1Cl ZINC001218710949 1315233988 /nfs/dbraw/zinc/23/39/88/1315233988.db2.gz IVMDJMJOFBVDEX-OCCSQVGLSA-N 1 3 348.834 2.651 20 0 EFADHO Cc1ccccc1Oc1ccccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218851231 1315250615 /nfs/dbraw/zinc/25/06/15/1315250615.db2.gz JBHNIMBOLOZFGO-OAHLLOKOSA-N 1 3 337.423 2.535 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(-c2ccc(N)cc2)cc1 ZINC001218862804 1315252939 /nfs/dbraw/zinc/25/29/39/1315252939.db2.gz WXKIETZLDATFAN-IBGZPJMESA-N 1 3 340.471 2.934 20 0 EFADHO CNc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218931155 1315261076 /nfs/dbraw/zinc/26/10/76/1315261076.db2.gz XSEIZQKOOQHZJV-LBPRGKRZSA-N 1 3 346.397 2.745 20 0 EFADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)c1csc([C@@H]2CCCN2)n1 ZINC001218938980 1315261897 /nfs/dbraw/zinc/26/18/97/1315261897.db2.gz YXGLTVQEPRCYAZ-HNNXBMFYSA-N 1 3 342.468 2.508 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC001250777540 1315262875 /nfs/dbraw/zinc/26/28/75/1315262875.db2.gz LRJSQJQIHZAZRO-IBGZPJMESA-N 1 3 332.488 2.766 20 0 EFADHO CCCCOc1c(NC(=O)[C@@H](N)CCCC[NH3+])ccc(F)c1F ZINC001218959365 1315265320 /nfs/dbraw/zinc/26/53/20/1315265320.db2.gz JEKCGPIGVOSMTQ-LBPRGKRZSA-N 1 3 329.391 2.539 20 0 EFADHO CN[C@H](C(=O)Nc1ccc(C2([NH3+])CCC2)cc1)[C@@H](C)OC(C)(C)C ZINC001218972177 1315266397 /nfs/dbraw/zinc/26/63/97/1315266397.db2.gz JMSYROLHFMDODD-CJNGLKHVSA-N 1 3 333.476 2.755 20 0 EFADHO O=C(Nc1cccc2c1CNC2)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001218992972 1315270201 /nfs/dbraw/zinc/27/02/01/1315270201.db2.gz IEASXRHVBLVTQD-OAQYLSRUSA-N 1 3 335.451 2.841 20 0 EFADHO Cc1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc1OC(F)F ZINC001218999162 1315271057 /nfs/dbraw/zinc/27/10/57/1315271057.db2.gz DIXFCNWBUVGUPP-ZDUSSCGKSA-N 1 3 329.391 2.594 20 0 EFADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1csc2c1CCNC2 ZINC001218998039 1315271097 /nfs/dbraw/zinc/27/10/97/1315271097.db2.gz ISYVXHIGCQKGLQ-CYBMUJFWSA-N 1 3 327.453 2.723 20 0 EFADHO CN[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@@H](C)OC(C)(C)C ZINC001219022435 1315274226 /nfs/dbraw/zinc/27/42/26/1315274226.db2.gz ITFMUTAEYZQGLU-PBHICJAKSA-N 1 3 335.492 2.521 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1cccc(F)c1 ZINC001250831684 1315274907 /nfs/dbraw/zinc/27/49/07/1315274907.db2.gz QLAYVZUSWSXULD-SFHVURJKSA-N 1 3 336.451 2.562 20 0 EFADHO C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c21 ZINC001219038591 1315276061 /nfs/dbraw/zinc/27/60/61/1315276061.db2.gz ZKFMPFMCCRUNCB-ARGWCVDVSA-N 1 3 327.472 2.609 20 0 EFADHO CC(C)[C@@H](C)NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219553782 1315322176 /nfs/dbraw/zinc/32/21/76/1315322176.db2.gz LRRGERLDKVPDRG-YFVAEKQCSA-N 1 3 343.515 2.649 20 0 EFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001219649412 1315331556 /nfs/dbraw/zinc/33/15/56/1315331556.db2.gz IRXXCMAJXRXCNH-FIXISWKDSA-N 1 3 344.286 2.745 20 0 EFADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001219649414 1315331582 /nfs/dbraw/zinc/33/15/82/1315331582.db2.gz IRXXCMAJXRXCNH-UEKVPHQBSA-N 1 3 344.286 2.745 20 0 EFADHO CCCCN(CC)[C@H](C(=O)NC[C@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001219685102 1315335761 /nfs/dbraw/zinc/33/57/61/1315335761.db2.gz WRISGKYOOCNVAA-LMMKCTJWSA-N 1 3 331.504 2.964 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054128869 1315337298 /nfs/dbraw/zinc/33/72/98/1315337298.db2.gz GAFCFDRHLJRYHK-IEBWSBKVSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054128869 1315337303 /nfs/dbraw/zinc/33/73/03/1315337303.db2.gz GAFCFDRHLJRYHK-IEBWSBKVSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054140181 1315353990 /nfs/dbraw/zinc/35/39/90/1315353990.db2.gz CMOVUNSDNKZXLT-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054140181 1315353992 /nfs/dbraw/zinc/35/39/92/1315353992.db2.gz CMOVUNSDNKZXLT-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054140899 1315354905 /nfs/dbraw/zinc/35/49/05/1315354905.db2.gz BJKSCAROGNLGKD-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCN1CCC)C2 ZINC001054140899 1315354910 /nfs/dbraw/zinc/35/49/10/1315354910.db2.gz BJKSCAROGNLGKD-AZUAARDMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054141263 1315356974 /nfs/dbraw/zinc/35/69/74/1315356974.db2.gz IBYBRCQPJHCLSO-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054141263 1315356979 /nfs/dbraw/zinc/35/69/79/1315356979.db2.gz IBYBRCQPJHCLSO-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144045 1315361336 /nfs/dbraw/zinc/36/13/36/1315361336.db2.gz PAIFPPIQVCWSFV-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144045 1315361340 /nfs/dbraw/zinc/36/13/40/1315361340.db2.gz PAIFPPIQVCWSFV-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC001219998874 1315363782 /nfs/dbraw/zinc/36/37/82/1315363782.db2.gz DRXMEAKMZYIWGK-PZJWPPBQSA-N 1 3 343.515 2.966 20 0 EFADHO CC(C)[C@]1(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC001219998873 1315363932 /nfs/dbraw/zinc/36/39/32/1315363932.db2.gz DRXMEAKMZYIWGK-FPOVZHCZSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145123 1315364181 /nfs/dbraw/zinc/36/41/81/1315364181.db2.gz KZIXUQXNAIELLE-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145123 1315364186 /nfs/dbraw/zinc/36/41/86/1315364186.db2.gz KZIXUQXNAIELLE-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001054145452 1315364502 /nfs/dbraw/zinc/36/45/02/1315364502.db2.gz QIUPLSBLBIKDQX-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001054145452 1315364505 /nfs/dbraw/zinc/36/45/05/1315364505.db2.gz QIUPLSBLBIKDQX-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145870 1315365182 /nfs/dbraw/zinc/36/51/82/1315365182.db2.gz ZBTBADOWSUBTNV-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145870 1315365187 /nfs/dbraw/zinc/36/51/87/1315365187.db2.gz ZBTBADOWSUBTNV-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145681 1315365564 /nfs/dbraw/zinc/36/55/64/1315365564.db2.gz WAACWEUYHRXXGU-AZUAARDMSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054145681 1315365568 /nfs/dbraw/zinc/36/55/68/1315365568.db2.gz WAACWEUYHRXXGU-AZUAARDMSA-N 1 3 333.520 2.607 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001054145494 1315365839 /nfs/dbraw/zinc/36/58/39/1315365839.db2.gz QUNRNQQOZNXMAT-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001054145494 1315365844 /nfs/dbraw/zinc/36/58/44/1315365844.db2.gz QUNRNQQOZNXMAT-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CCN(C/C=C\Cl)C2)C1)[NH+](C)C ZINC001054148129 1315368866 /nfs/dbraw/zinc/36/88/66/1315368866.db2.gz HJAKJFDVQZFOHB-RCCZTWBHSA-N 1 3 341.927 2.640 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC001220062126 1315369395 /nfs/dbraw/zinc/36/93/95/1315369395.db2.gz MXJXNSLWHSPMTI-HKUYNNGSSA-N 1 3 331.504 2.554 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1 ZINC001220062126 1315369398 /nfs/dbraw/zinc/36/93/98/1315369398.db2.gz MXJXNSLWHSPMTI-HKUYNNGSSA-N 1 3 331.504 2.554 20 0 EFADHO N[C@@H](C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001220163804 1315377500 /nfs/dbraw/zinc/37/75/00/1315377500.db2.gz VMJRQFIGTDUWPO-FJYJSLAZSA-N 1 3 345.531 2.569 20 0 EFADHO N[C@@H](C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001220163805 1315377577 /nfs/dbraw/zinc/37/75/77/1315377577.db2.gz VMJRQFIGTDUWPO-LBZGUAERSA-N 1 3 345.531 2.569 20 0 EFADHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220384591 1315404977 /nfs/dbraw/zinc/40/49/77/1315404977.db2.gz YBAISNOHCIVZKH-FPOVZHCZSA-N 1 3 349.478 2.864 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174533 1315411476 /nfs/dbraw/zinc/41/14/76/1315411476.db2.gz SUHNDZNHOOEHDN-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001054174533 1315411479 /nfs/dbraw/zinc/41/14/79/1315411479.db2.gz SUHNDZNHOOEHDN-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)c1 ZINC001039039153 1315412970 /nfs/dbraw/zinc/41/29/70/1315412970.db2.gz AORFURFYGNUXAH-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CCC(C)(C)C)c1 ZINC001039039153 1315412972 /nfs/dbraw/zinc/41/29/72/1315412972.db2.gz AORFURFYGNUXAH-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3OC(C)(C)C)[C@@H]2C1 ZINC001276813918 1315421285 /nfs/dbraw/zinc/42/12/85/1315421285.db2.gz VVDWVLRHRNXCMH-PKOBYXMFSA-N 1 3 345.531 2.932 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3OC(C)(C)C)[C@@H]2C1 ZINC001276813918 1315421288 /nfs/dbraw/zinc/42/12/88/1315421288.db2.gz VVDWVLRHRNXCMH-PKOBYXMFSA-N 1 3 345.531 2.932 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001039050830 1315424190 /nfs/dbraw/zinc/42/41/90/1315424190.db2.gz QMKVXGMJHKWAJD-HTWSVDAQSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001039050830 1315424194 /nfs/dbraw/zinc/42/41/94/1315424194.db2.gz QMKVXGMJHKWAJD-HTWSVDAQSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001054198069 1315442795 /nfs/dbraw/zinc/44/27/95/1315442795.db2.gz PAWZBWZTOLVLAH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001054198069 1315442798 /nfs/dbraw/zinc/44/27/98/1315442798.db2.gz PAWZBWZTOLVLAH-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054198590 1315443911 /nfs/dbraw/zinc/44/39/11/1315443911.db2.gz AMILBJXNCIOQAO-FPOVZHCZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054198590 1315443915 /nfs/dbraw/zinc/44/39/15/1315443915.db2.gz AMILBJXNCIOQAO-FPOVZHCZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054198591 1315444637 /nfs/dbraw/zinc/44/46/37/1315444637.db2.gz AMILBJXNCIOQAO-PZJWPPBQSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054198591 1315444642 /nfs/dbraw/zinc/44/46/42/1315444642.db2.gz AMILBJXNCIOQAO-PZJWPPBQSA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252396533 1315445291 /nfs/dbraw/zinc/44/52/91/1315445291.db2.gz NCCFMQHELGEINH-ZWKOTPCHSA-N 1 3 328.456 2.653 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252395218 1315445306 /nfs/dbraw/zinc/44/53/06/1315445306.db2.gz YVPNCUYDWAVNCS-GOSISDBHSA-N 1 3 328.456 2.653 20 0 EFADHO C[NH+](C)CCC(C)(C)NC[C@@H](O)COc1cccc2ccccc21 ZINC001252400200 1315446534 /nfs/dbraw/zinc/44/65/34/1315446534.db2.gz JRJBJKXUVUHENO-QGZVFWFLSA-N 1 3 330.472 2.899 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054204697 1315452764 /nfs/dbraw/zinc/45/27/64/1315452764.db2.gz ASAAHWDKQLAMOJ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054204697 1315452767 /nfs/dbraw/zinc/45/27/67/1315452767.db2.gz ASAAHWDKQLAMOJ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054209565 1315460145 /nfs/dbraw/zinc/46/01/45/1315460145.db2.gz SMCAQBYTRRLDNW-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054209565 1315460147 /nfs/dbraw/zinc/46/01/47/1315460147.db2.gz SMCAQBYTRRLDNW-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO N[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C1CCCCC1 ZINC001221031596 1315473612 /nfs/dbraw/zinc/47/36/12/1315473612.db2.gz QIHDVMLAMFTUGG-OALUTQOASA-N 1 3 347.478 2.890 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033653 1315474429 /nfs/dbraw/zinc/47/44/29/1315474429.db2.gz ISJAVYUJIVJKOR-ZWKOTPCHSA-N 1 3 333.451 2.500 20 0 EFADHO CC1(C)C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001221063529 1315479099 /nfs/dbraw/zinc/47/90/99/1315479099.db2.gz YMPRWGSZZMRJBT-PXNSSMCTSA-N 1 3 329.488 2.545 20 0 EFADHO [NH3+][C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221063026 1315479268 /nfs/dbraw/zinc/47/92/68/1315479268.db2.gz JHKYJFRAEMYDPQ-OALUTQOASA-N 1 3 329.488 2.675 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063026 1315479271 /nfs/dbraw/zinc/47/92/71/1315479271.db2.gz JHKYJFRAEMYDPQ-OALUTQOASA-N 1 3 329.488 2.675 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063026 1315479275 /nfs/dbraw/zinc/47/92/75/1315479275.db2.gz JHKYJFRAEMYDPQ-OALUTQOASA-N 1 3 329.488 2.675 20 0 EFADHO CC(C)OC[C@H](O)CN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252680720 1315486327 /nfs/dbraw/zinc/48/63/27/1315486327.db2.gz UJRVQRCSHUWANS-SRHPJPHMSA-N 1 3 348.531 2.667 20 0 EFADHO CC(C)OC[C@H](O)CN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001252680720 1315486329 /nfs/dbraw/zinc/48/63/29/1315486329.db2.gz UJRVQRCSHUWANS-SRHPJPHMSA-N 1 3 348.531 2.667 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039115670 1315491174 /nfs/dbraw/zinc/49/11/74/1315491174.db2.gz OHHAQNFJJPYKKU-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001039115670 1315491176 /nfs/dbraw/zinc/49/11/76/1315491176.db2.gz OHHAQNFJJPYKKU-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CCCN(C3CC[NH2+]CC3)C1)C2(C)C ZINC001221199824 1315491370 /nfs/dbraw/zinc/49/13/70/1315491370.db2.gz XABHIRAQXYGBNM-HRAJDOBDSA-N 1 3 347.547 2.637 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](C3CCNCC3)C1)C2(C)C ZINC001221199824 1315491372 /nfs/dbraw/zinc/49/13/72/1315491372.db2.gz XABHIRAQXYGBNM-HRAJDOBDSA-N 1 3 347.547 2.637 20 0 EFADHO C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1CCC[N@H+](C3CCNCC3)C1)C2(C)C ZINC001221199824 1315491374 /nfs/dbraw/zinc/49/13/74/1315491374.db2.gz XABHIRAQXYGBNM-HRAJDOBDSA-N 1 3 347.547 2.637 20 0 EFADHO CC(C)P(CCNC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1)C(C)C ZINC001221254104 1315498724 /nfs/dbraw/zinc/49/87/24/1315498724.db2.gz FLPHORBMLJUIKP-CABCVRRESA-N 1 3 330.453 2.947 20 0 EFADHO CC(C)(C)[PH+](CCCNC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)(C)C ZINC001221271349 1315500667 /nfs/dbraw/zinc/50/06/67/1315500667.db2.gz BATXFQAKYYGUFI-AWEZNQCLSA-N 1 3 340.452 2.865 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770572 1315504465 /nfs/dbraw/zinc/50/44/65/1315504465.db2.gz IQFARMGFCAKKEL-SUMDDJOVSA-N 1 3 334.504 2.654 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770572 1315504470 /nfs/dbraw/zinc/50/44/70/1315504470.db2.gz IQFARMGFCAKKEL-SUMDDJOVSA-N 1 3 334.504 2.654 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221295810 1315505711 /nfs/dbraw/zinc/50/57/11/1315505711.db2.gz RFRUHCTYMMNAKP-APWZRJJASA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221295810 1315505713 /nfs/dbraw/zinc/50/57/13/1315505713.db2.gz RFRUHCTYMMNAKP-APWZRJJASA-N 1 3 343.515 2.937 20 0 EFADHO CCC[C@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252782316 1315506784 /nfs/dbraw/zinc/50/67/84/1315506784.db2.gz OOCVAPUHQKDBKP-PMACEKPBSA-N 1 3 346.515 2.903 20 0 EFADHO CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243527 1315513034 /nfs/dbraw/zinc/51/30/34/1315513034.db2.gz JEURBTJEYCMYPK-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001054243527 1315513035 /nfs/dbraw/zinc/51/30/35/1315513035.db2.gz JEURBTJEYCMYPK-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054244335 1315513638 /nfs/dbraw/zinc/51/36/38/1315513638.db2.gz CTOUFUDGCBOHFW-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054244335 1315513644 /nfs/dbraw/zinc/51/36/44/1315513644.db2.gz CTOUFUDGCBOHFW-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO O[C@H](C[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1)c1ccc(F)cc1 ZINC001252847222 1315514547 /nfs/dbraw/zinc/51/45/47/1315514547.db2.gz PTRAQTMSARSHOP-SFHLNBCPSA-N 1 3 340.442 2.923 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054244430 1315515656 /nfs/dbraw/zinc/51/56/56/1315515656.db2.gz FLRSNQKNNPCUDW-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054244430 1315515660 /nfs/dbraw/zinc/51/56/60/1315515660.db2.gz FLRSNQKNNPCUDW-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054245630 1315516183 /nfs/dbraw/zinc/51/61/83/1315516183.db2.gz XETSURJZFJAURP-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054245630 1315516187 /nfs/dbraw/zinc/51/61/87/1315516187.db2.gz XETSURJZFJAURP-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054244975 1315516332 /nfs/dbraw/zinc/51/63/32/1315516332.db2.gz MGKMJBPHHPYBAO-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054244975 1315516336 /nfs/dbraw/zinc/51/63/36/1315516336.db2.gz MGKMJBPHHPYBAO-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1n[nH]c(C)c1CN1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276822198 1315518010 /nfs/dbraw/zinc/51/80/10/1315518010.db2.gz IYSUNRKSWAUFDH-UHFFFAOYSA-N 1 3 327.476 2.843 20 0 EFADHO Cc1n[nH]c(C)c1CN1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276822198 1315518013 /nfs/dbraw/zinc/51/80/13/1315518013.db2.gz IYSUNRKSWAUFDH-UHFFFAOYSA-N 1 3 327.476 2.843 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135239 1315520179 /nfs/dbraw/zinc/52/01/79/1315520179.db2.gz ZDVQUZCFMANOAO-RTBURBONSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135239 1315520183 /nfs/dbraw/zinc/52/01/83/1315520183.db2.gz ZDVQUZCFMANOAO-RTBURBONSA-N 1 3 335.536 2.543 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001221398890 1315520490 /nfs/dbraw/zinc/52/04/90/1315520490.db2.gz JERQYJHUFZJREO-PCCBWWKXSA-N 1 3 349.478 2.558 20 0 EFADHO CCN(Cc1ccccc1)C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC001252960640 1315542886 /nfs/dbraw/zinc/54/28/86/1315542886.db2.gz DZCWACWJMIDVGL-UHFFFAOYSA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039153499 1315549069 /nfs/dbraw/zinc/54/90/69/1315549069.db2.gz AETDCSVPOKCVGV-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039153499 1315549074 /nfs/dbraw/zinc/54/90/74/1315549074.db2.gz AETDCSVPOKCVGV-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163620 1315562022 /nfs/dbraw/zinc/56/20/22/1315562022.db2.gz DSKKHYVSGJOFKZ-AZUAARDMSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039163620 1315562026 /nfs/dbraw/zinc/56/20/26/1315562026.db2.gz DSKKHYVSGJOFKZ-AZUAARDMSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001039164021 1315563290 /nfs/dbraw/zinc/56/32/90/1315563290.db2.gz HEORNEYBXFPJPZ-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001039164021 1315563294 /nfs/dbraw/zinc/56/32/94/1315563294.db2.gz HEORNEYBXFPJPZ-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CC4CC4)C3)CC2)C1 ZINC001039165440 1315565938 /nfs/dbraw/zinc/56/59/38/1315565938.db2.gz QGJILWKDQUAOKL-IBGZPJMESA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CC4CC4)C3)CC2)C1 ZINC001039165440 1315565942 /nfs/dbraw/zinc/56/59/42/1315565942.db2.gz QGJILWKDQUAOKL-IBGZPJMESA-N 1 3 347.547 2.689 20 0 EFADHO CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631549 1315567520 /nfs/dbraw/zinc/56/75/20/1315567520.db2.gz WUKYHNPPKALKNK-NFTNHMJPSA-N 1 3 335.536 2.852 20 0 EFADHO CCC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221631549 1315567523 /nfs/dbraw/zinc/56/75/23/1315567523.db2.gz WUKYHNPPKALKNK-NFTNHMJPSA-N 1 3 335.536 2.852 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001054735768 1315573048 /nfs/dbraw/zinc/57/30/48/1315573048.db2.gz HNSAOCNCINZILP-XLIONFOSSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172671 1315576527 /nfs/dbraw/zinc/57/65/27/1315576527.db2.gz BBJMHZFAQNQNJC-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172671 1315576528 /nfs/dbraw/zinc/57/65/28/1315576528.db2.gz BBJMHZFAQNQNJC-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH2+]CCc1cc(C(F)(F)F)ccc1F ZINC001253209298 1315581353 /nfs/dbraw/zinc/58/13/53/1315581353.db2.gz DTRSDEKAIZPXGN-AWEZNQCLSA-N 1 3 336.373 2.679 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2cccc(OC)c2)CCC1 ZINC001253212195 1315581491 /nfs/dbraw/zinc/58/14/91/1315581491.db2.gz FWHSNOHDPNZGMT-SFHVURJKSA-N 1 3 334.504 2.700 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCCc1cccc2ccc(OC)cc21 ZINC001253213548 1315581936 /nfs/dbraw/zinc/58/19/36/1315581936.db2.gz MQZKVLAHWIIACA-SFHVURJKSA-N 1 3 330.472 2.683 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253285330 1315589644 /nfs/dbraw/zinc/58/96/44/1315589644.db2.gz DPTANIUYCJKNDY-FQEVSTJZSA-N 1 3 334.504 2.666 20 0 EFADHO CC1CC[NH+](CCCNC[C@@H](O)CCOCc2ccccc2)CC1 ZINC001253285330 1315589646 /nfs/dbraw/zinc/58/96/46/1315589646.db2.gz DPTANIUYCJKNDY-FQEVSTJZSA-N 1 3 334.504 2.666 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039182174 1315589900 /nfs/dbraw/zinc/58/99/00/1315589900.db2.gz KIXKEVNOAOMPLK-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039182174 1315589904 /nfs/dbraw/zinc/58/99/04/1315589904.db2.gz KIXKEVNOAOMPLK-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C)[NH2+]C[C@@H](O)CN1CCC(c2[nH]nc3cc(F)ccc32)CC1 ZINC001253395056 1315599680 /nfs/dbraw/zinc/59/96/80/1315599680.db2.gz ZLVFAMFLSDVPIF-OAHLLOKOSA-N 1 3 348.466 2.630 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3C2)cc1 ZINC001253455428 1315605818 /nfs/dbraw/zinc/60/58/18/1315605818.db2.gz WOPHKTHVTLQKRK-HSALFYBXSA-N 1 3 346.515 2.535 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3C2)cc1 ZINC001253455428 1315605820 /nfs/dbraw/zinc/60/58/20/1315605820.db2.gz WOPHKTHVTLQKRK-HSALFYBXSA-N 1 3 346.515 2.535 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCCF)C1)C1CCC1 ZINC001039211874 1315626654 /nfs/dbraw/zinc/62/66/54/1315626654.db2.gz CWAJIICRMUUMCM-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCCF)C1)C1CCC1 ZINC001039211874 1315626657 /nfs/dbraw/zinc/62/66/57/1315626657.db2.gz CWAJIICRMUUMCM-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCCF)C1)C1CCC1 ZINC001039211871 1315627002 /nfs/dbraw/zinc/62/70/02/1315627002.db2.gz CWAJIICRMUUMCM-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCCF)C1)C1CCC1 ZINC001039211871 1315627005 /nfs/dbraw/zinc/62/70/05/1315627005.db2.gz CWAJIICRMUUMCM-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212450 1315628456 /nfs/dbraw/zinc/62/84/56/1315628456.db2.gz GNDBFKZEOVVYCY-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212450 1315628458 /nfs/dbraw/zinc/62/84/58/1315628458.db2.gz GNDBFKZEOVVYCY-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)[C@@H](O)C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001253725743 1315632389 /nfs/dbraw/zinc/63/23/89/1315632389.db2.gz ZWBUEYUXSWUWDP-SFHVURJKSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)[C@@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001253760492 1315635730 /nfs/dbraw/zinc/63/57/30/1315635730.db2.gz HMODSZJSZYIIIF-UXHICEINSA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)[C@@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001253760486 1315635863 /nfs/dbraw/zinc/63/58/63/1315635863.db2.gz HMODSZJSZYIIIF-PMACEKPBSA-N 1 3 346.515 2.759 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001000191858 1315647794 /nfs/dbraw/zinc/64/77/94/1315647794.db2.gz KQCGAEVRSBFAMA-YJBOKZPZSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001000191855 1315648376 /nfs/dbraw/zinc/64/83/76/1315648376.db2.gz KQCGAEVRSBFAMA-CRAIPNDOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001000191832 1315648384 /nfs/dbraw/zinc/64/83/84/1315648384.db2.gz KIGLDSLPFDENDG-VQIMIIECSA-N 1 3 347.478 2.721 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228679 1315651751 /nfs/dbraw/zinc/65/17/51/1315651751.db2.gz HCDHSPJXIXCNGS-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228679 1315651753 /nfs/dbraw/zinc/65/17/53/1315651753.db2.gz HCDHSPJXIXCNGS-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001000314465 1315653549 /nfs/dbraw/zinc/65/35/49/1315653549.db2.gz XKPSPHRIHJCKCJ-INIZCTEOSA-N 1 3 330.476 2.503 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001039234105 1315657635 /nfs/dbraw/zinc/65/76/35/1315657635.db2.gz OUFMKYIGYCKHNQ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001039234105 1315657637 /nfs/dbraw/zinc/65/76/37/1315657637.db2.gz OUFMKYIGYCKHNQ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(Cc1ccccn1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254030120 1315666385 /nfs/dbraw/zinc/66/63/85/1315666385.db2.gz XKMGOJANYOIFDC-UHFFFAOYSA-N 1 3 325.456 2.541 20 0 EFADHO COC1(C)CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254029310 1315666435 /nfs/dbraw/zinc/66/64/35/1315666435.db2.gz CRPDGLJKTDUTIW-UHFFFAOYSA-N 1 3 332.488 2.514 20 0 EFADHO OC1(C[N@@H+]2CC[C@]3(C2)CCCCO3)CCN(Cc2ccccc2)CC1 ZINC001254034724 1315667657 /nfs/dbraw/zinc/66/76/57/1315667657.db2.gz GYYYXKNMSMPEEK-NRFANRHFSA-N 1 3 344.499 2.659 20 0 EFADHO OC1(C[N@H+]2CC[C@]3(C2)CCCCO3)CCN(Cc2ccccc2)CC1 ZINC001254034724 1315667659 /nfs/dbraw/zinc/66/76/59/1315667659.db2.gz GYYYXKNMSMPEEK-NRFANRHFSA-N 1 3 344.499 2.659 20 0 EFADHO OC1(CN[C@@H]2COc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001254050062 1315669212 /nfs/dbraw/zinc/66/92/12/1315669212.db2.gz DBWXMQRWTWKIGK-LJQANCHMSA-N 1 3 338.451 2.737 20 0 EFADHO CC(C)([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccnc1 ZINC001254047506 1315669440 /nfs/dbraw/zinc/66/94/40/1315669440.db2.gz SFELYMQZMSPYPW-UHFFFAOYSA-N 1 3 339.483 2.933 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2cc(Cl)cc(Cl)c2)nn1 ZINC001254163942 1315677032 /nfs/dbraw/zinc/67/70/32/1315677032.db2.gz BFJXSVAIFTXMSF-UHFFFAOYSA-N 1 3 342.274 2.971 20 0 EFADHO C[NH+]1CC2(C1)CCN([C@H]1Cc3ccc(Br)cc3C1)CC2 ZINC001254287134 1315691083 /nfs/dbraw/zinc/69/10/83/1315691083.db2.gz ZWCPUXRQVOBAGO-INIZCTEOSA-N 1 3 335.289 2.944 20 0 EFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254379921 1315698937 /nfs/dbraw/zinc/69/89/37/1315698937.db2.gz IGONHQKWLIYJFH-GOSISDBHSA-N 1 3 329.488 2.937 20 0 EFADHO CC(=O)N1CCC([NH+]2CCC(N(C)Cc3ccccc3)CC2)CC1 ZINC001254427310 1315703330 /nfs/dbraw/zinc/70/33/30/1315703330.db2.gz MWHXIBGRYDLFQB-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCC[C@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)CC1 ZINC001254507393 1315710854 /nfs/dbraw/zinc/71/08/54/1315710854.db2.gz LJWRBQQJKFBAQL-INIZCTEOSA-N 1 3 336.451 2.957 20 0 EFADHO COc1ccc(CCN2CCC([NH2+][C@H]3CCCN(C)CC3)CC2)cc1 ZINC001254509518 1315712046 /nfs/dbraw/zinc/71/20/46/1315712046.db2.gz OSUMEEMOVDNJDK-IBGZPJMESA-N 1 3 345.531 2.776 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254518242 1315713809 /nfs/dbraw/zinc/71/38/09/1315713809.db2.gz BHEQSTIDDLQBMB-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254518242 1315713812 /nfs/dbraw/zinc/71/38/12/1315713812.db2.gz BHEQSTIDDLQBMB-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523816 1315716666 /nfs/dbraw/zinc/71/66/66/1315716666.db2.gz WHINEBRZTYIUQO-NLWGTHIKSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC[C@@]3(C[C@@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523816 1315716668 /nfs/dbraw/zinc/71/66/68/1315716668.db2.gz WHINEBRZTYIUQO-NLWGTHIKSA-N 1 3 345.487 2.568 20 0 EFADHO CN1CCC[C@H]([NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001254523725 1315717162 /nfs/dbraw/zinc/71/71/62/1315717162.db2.gz VQRACNSSQVAOCH-MOPGFXCFSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@H+](CCCN)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682449 1315740670 /nfs/dbraw/zinc/74/06/70/1315740670.db2.gz LQRLUKKVXNHRLJ-AWEZNQCLSA-N 1 3 343.537 2.542 20 0 EFADHO CCC[N@@H+](CCCN)[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682449 1315740673 /nfs/dbraw/zinc/74/06/73/1315740673.db2.gz LQRLUKKVXNHRLJ-AWEZNQCLSA-N 1 3 343.537 2.542 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530814 1315719447 /nfs/dbraw/zinc/71/94/47/1315719447.db2.gz BUTWGSNCKGZINL-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC[C@@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530814 1315719450 /nfs/dbraw/zinc/71/94/50/1315719450.db2.gz BUTWGSNCKGZINL-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527397 1315719583 /nfs/dbraw/zinc/71/95/83/1315719583.db2.gz XRMLKWWZEWYOBM-MRXNPFEDSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527397 1315719585 /nfs/dbraw/zinc/71/95/85/1315719585.db2.gz XRMLKWWZEWYOBM-MRXNPFEDSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC001254529432 1315719675 /nfs/dbraw/zinc/71/96/75/1315719675.db2.gz FPSZXNRNDZZERA-INIZCTEOSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)c3ccccc3F)CC2)CC1 ZINC001254529432 1315719678 /nfs/dbraw/zinc/71/96/78/1315719678.db2.gz FPSZXNRNDZZERA-INIZCTEOSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(Oc3ncnc4ccccc43)CC2)CC1 ZINC001254532944 1315719957 /nfs/dbraw/zinc/71/99/57/1315719957.db2.gz YHQVLBURIGZJJL-INIZCTEOSA-N 1 3 340.471 2.957 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(Oc3ncnc4ccccc43)CC2)CC1 ZINC001254532944 1315719959 /nfs/dbraw/zinc/71/99/59/1315719959.db2.gz YHQVLBURIGZJJL-INIZCTEOSA-N 1 3 340.471 2.957 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F ZINC001001522688 1315735283 /nfs/dbraw/zinc/73/52/83/1315735283.db2.gz HBFBIGPUICHYSZ-LJQANCHMSA-N 1 3 347.478 2.814 20 0 EFADHO CCCN(CCC[NH3+])[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682449 1315740668 /nfs/dbraw/zinc/74/06/68/1315740668.db2.gz LQRLUKKVXNHRLJ-AWEZNQCLSA-N 1 3 343.537 2.542 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]C(C)(C)C(C)(C)N)CS2 ZINC001254689954 1315741064 /nfs/dbraw/zinc/74/10/64/1315741064.db2.gz FTYTUCKPQXMQHD-GFCCVEGCSA-N 1 3 343.537 2.587 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732555 1315742983 /nfs/dbraw/zinc/74/29/83/1315742983.db2.gz CYWDCOYZWCOKBW-HUUCEWRRSA-N 1 3 325.497 2.741 20 0 EFADHO CCC[N@H+](CCCN)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758025 1315744413 /nfs/dbraw/zinc/74/44/13/1315744413.db2.gz FZFZMBJTWYPWDA-OAHLLOKOSA-N 1 3 325.497 2.837 20 0 EFADHO CCC[N@@H+](CCCN)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758025 1315744416 /nfs/dbraw/zinc/74/44/16/1315744416.db2.gz FZFZMBJTWYPWDA-OAHLLOKOSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)[N@H+](CCCN)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758355 1315744607 /nfs/dbraw/zinc/74/46/07/1315744607.db2.gz MURQHSITOMPZBI-OAHLLOKOSA-N 1 3 325.497 2.835 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758355 1315744609 /nfs/dbraw/zinc/74/46/09/1315744609.db2.gz MURQHSITOMPZBI-OAHLLOKOSA-N 1 3 325.497 2.835 20 0 EFADHO C[C@H](CN)C[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254873057 1315754036 /nfs/dbraw/zinc/75/40/36/1315754036.db2.gz FQHDOWPZNDVOCU-KSTDHSDQSA-N 1 3 325.497 2.741 20 0 EFADHO CCC[N@H+](CCCN)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254885783 1315754448 /nfs/dbraw/zinc/75/44/48/1315754448.db2.gz GCISPOIXGZJKHJ-ZSHCYNCHSA-N 1 3 325.497 2.693 20 0 EFADHO CCC[N@@H+](CCCN)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254885783 1315754452 /nfs/dbraw/zinc/75/44/52/1315754452.db2.gz GCISPOIXGZJKHJ-ZSHCYNCHSA-N 1 3 325.497 2.693 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254891301 1315755538 /nfs/dbraw/zinc/75/55/38/1315755538.db2.gz PDYSMNSUFIKZOM-LTIDMASMSA-N 1 3 337.508 2.706 20 0 EFADHO [NH3+]C1(Cc2cccc(F)c2)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254933319 1315760626 /nfs/dbraw/zinc/76/06/26/1315760626.db2.gz BSBAKHHXKRIHSG-HZPDHXFCSA-N 1 3 330.447 2.919 20 0 EFADHO CCC[N@H+](CCCN)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965734 1315766725 /nfs/dbraw/zinc/76/67/25/1315766725.db2.gz JAYKSVNIHJCFBE-JYJNAYRXSA-N 1 3 325.497 2.835 20 0 EFADHO CCC[N@@H+](CCCN)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965734 1315766728 /nfs/dbraw/zinc/76/67/28/1315766728.db2.gz JAYKSVNIHJCFBE-JYJNAYRXSA-N 1 3 325.497 2.835 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C1Cc3ccccc3C1)C2 ZINC001255022305 1315772666 /nfs/dbraw/zinc/77/26/66/1315772666.db2.gz GTXBMYCOEWXPQI-IFMALSPDSA-N 1 3 340.511 2.834 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C1Cc3ccccc3C1)C2 ZINC001255022305 1315772669 /nfs/dbraw/zinc/77/26/69/1315772669.db2.gz GTXBMYCOEWXPQI-IFMALSPDSA-N 1 3 340.511 2.834 20 0 EFADHO CC1(C)OC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC001255128069 1315779513 /nfs/dbraw/zinc/77/95/13/1315779513.db2.gz KBDMXKYCEXNCRY-AKHDSKFASA-N 1 3 330.472 2.923 20 0 EFADHO CC1(C)OC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC001255128069 1315779514 /nfs/dbraw/zinc/77/95/14/1315779514.db2.gz KBDMXKYCEXNCRY-AKHDSKFASA-N 1 3 330.472 2.923 20 0 EFADHO CC(C)(C)[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(N)=O ZINC001255129454 1315780096 /nfs/dbraw/zinc/78/00/96/1315780096.db2.gz YMIOBQGFTGHDFW-XMTFNYHQSA-N 1 3 329.488 2.672 20 0 EFADHO COC(=O)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136903 1315781325 /nfs/dbraw/zinc/78/13/25/1315781325.db2.gz OKYSQYYOFPSVSZ-OKYOBFRVSA-N 1 3 328.456 2.677 20 0 EFADHO COC(=O)[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136903 1315781326 /nfs/dbraw/zinc/78/13/26/1315781326.db2.gz OKYSQYYOFPSVSZ-OKYOBFRVSA-N 1 3 328.456 2.677 20 0 EFADHO CN1C[C@@H]2C[N@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255147120 1315783534 /nfs/dbraw/zinc/78/35/34/1315783534.db2.gz MFWXEAQFXCBNEF-JCUFNKLESA-N 1 3 325.500 2.675 20 0 EFADHO CN1C[C@@H]2C[N@@H+]([C@H]3C[C@H]4CC[C@@H](C3)N4Cc3ccccc3)C[C@@H]2C1 ZINC001255147120 1315783537 /nfs/dbraw/zinc/78/35/37/1315783537.db2.gz MFWXEAQFXCBNEF-JCUFNKLESA-N 1 3 325.500 2.675 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C2 ZINC001255182158 1315787966 /nfs/dbraw/zinc/78/79/66/1315787966.db2.gz CPQQVXAUFXCQGN-XLAORIBOSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001050661684 1315791713 /nfs/dbraw/zinc/79/17/13/1315791713.db2.gz AONQDSHKBUJATC-SFHVURJKSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)CC[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661553 1315792077 /nfs/dbraw/zinc/79/20/77/1315792077.db2.gz YQTCDNYRAJXCOX-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001050662736 1315792874 /nfs/dbraw/zinc/79/28/74/1315792874.db2.gz MXXDQGMTVGKCOO-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001050663011 1315793394 /nfs/dbraw/zinc/79/33/94/1315793394.db2.gz PRYATFVILMBQDJ-GOSISDBHSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255224845 1315793787 /nfs/dbraw/zinc/79/37/87/1315793787.db2.gz IOUMQFZZXAZNEW-WCXIOVBPSA-N 1 3 337.508 2.991 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CC2 ZINC001255245510 1315796080 /nfs/dbraw/zinc/79/60/80/1315796080.db2.gz GAQCQIUYGSTIAQ-FVQHAEBGSA-N 1 3 349.519 2.945 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039447228 1315796903 /nfs/dbraw/zinc/79/69/03/1315796903.db2.gz FLULTSUKACUSQA-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)N1CCCCCC1 ZINC001039447228 1315796906 /nfs/dbraw/zinc/79/69/06/1315796906.db2.gz FLULTSUKACUSQA-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[NH+]1CCC2(CN(C(=O)c3ccccc3CN(C)C)C2)CC1 ZINC001050766434 1315809986 /nfs/dbraw/zinc/80/99/86/1315809986.db2.gz ODDKVKQILANNNA-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383897 1315814194 /nfs/dbraw/zinc/81/41/94/1315814194.db2.gz PKXMXAZACNDTON-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO FCCn1cncc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255392744 1315815854 /nfs/dbraw/zinc/81/58/54/1315815854.db2.gz KTVUOQXYJWWFER-GOSISDBHSA-N 1 3 330.451 2.997 20 0 EFADHO COC(=O)N1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397864 1315816272 /nfs/dbraw/zinc/81/62/72/1315816272.db2.gz HXWYVJWVCCSXDN-LJQANCHMSA-N 1 3 345.487 2.815 20 0 EFADHO COC(=O)N1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397864 1315816274 /nfs/dbraw/zinc/81/62/74/1315816274.db2.gz HXWYVJWVCCSXDN-LJQANCHMSA-N 1 3 345.487 2.815 20 0 EFADHO OC[C@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397847 1315816932 /nfs/dbraw/zinc/81/69/32/1315816932.db2.gz HXCPMQGIHNAIMY-MSOLQXFVSA-N 1 3 338.442 2.991 20 0 EFADHO OC[C@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397847 1315816936 /nfs/dbraw/zinc/81/69/36/1315816936.db2.gz HXCPMQGIHNAIMY-MSOLQXFVSA-N 1 3 338.442 2.991 20 0 EFADHO COCCCN1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403676 1315817489 /nfs/dbraw/zinc/81/74/89/1315817489.db2.gz FBSPANLFGNHOPZ-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO COCCCN1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403676 1315817492 /nfs/dbraw/zinc/81/74/92/1315817492.db2.gz FBSPANLFGNHOPZ-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398626 1315818313 /nfs/dbraw/zinc/81/83/13/1315818313.db2.gz LKCHZHOTFOOGDS-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398626 1315818317 /nfs/dbraw/zinc/81/83/17/1315818317.db2.gz LKCHZHOTFOOGDS-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255409650 1315818743 /nfs/dbraw/zinc/81/87/43/1315818743.db2.gz JYLIPHRWCZDJNL-NJYVYQBISA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H](Cc2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427427 1315822027 /nfs/dbraw/zinc/82/20/27/1315822027.db2.gz KYPIONURWMKMCE-ROUUACIJSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@@H](Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427427 1315822029 /nfs/dbraw/zinc/82/20/29/1315822029.db2.gz KYPIONURWMKMCE-ROUUACIJSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@@H](Cc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427429 1315822404 /nfs/dbraw/zinc/82/24/04/1315822404.db2.gz KYPIONURWMKMCE-ZWKOTPCHSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@@H](Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427429 1315822408 /nfs/dbraw/zinc/82/24/08/1315822408.db2.gz KYPIONURWMKMCE-ZWKOTPCHSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@H](Cc2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427426 1315822492 /nfs/dbraw/zinc/82/24/92/1315822492.db2.gz KYPIONURWMKMCE-QZTJIDSGSA-N 1 3 340.471 2.943 20 0 EFADHO CN1CCC[C@H](Cc2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255427426 1315822494 /nfs/dbraw/zinc/82/24/94/1315822494.db2.gz KYPIONURWMKMCE-QZTJIDSGSA-N 1 3 340.471 2.943 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@@H]1CC[N@H+](C)C1)CC2 ZINC001255430646 1315823249 /nfs/dbraw/zinc/82/32/49/1315823249.db2.gz HEAIVGBWRDGOGR-SJORKVTESA-N 1 3 349.544 2.508 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@@H]1CC[N@@H+](C)C1)CC2 ZINC001255430646 1315823252 /nfs/dbraw/zinc/82/32/52/1315823252.db2.gz HEAIVGBWRDGOGR-SJORKVTESA-N 1 3 349.544 2.508 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)C1CCC1 ZINC001039486286 1315833945 /nfs/dbraw/zinc/83/39/45/1315833945.db2.gz DZXOUTKCLZQBFR-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)C1CCC1 ZINC001039486286 1315833947 /nfs/dbraw/zinc/83/39/47/1315833947.db2.gz DZXOUTKCLZQBFR-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+]([C@H]2CCOC(C)(C)C2)CC3)cn1 ZINC001255543120 1315837729 /nfs/dbraw/zinc/83/77/29/1315837729.db2.gz BVPWJTIGKBBZND-SFHVURJKSA-N 1 3 346.519 2.808 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH+](CC3CC3)CC3CC3)CC2)C1 ZINC001039489408 1315838335 /nfs/dbraw/zinc/83/83/35/1315838335.db2.gz VDMHBIVJASNGFT-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+](CC2CC2)C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039491331 1315841620 /nfs/dbraw/zinc/84/16/20/1315841620.db2.gz ZZGAZHBXQDNHOA-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@@H+](CC2CC2)C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039491331 1315841623 /nfs/dbraw/zinc/84/16/23/1315841623.db2.gz ZZGAZHBXQDNHOA-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593723 1315844924 /nfs/dbraw/zinc/84/49/24/1315844924.db2.gz NGPWVEPZBKQJJG-OAGGEKHMSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593723 1315844926 /nfs/dbraw/zinc/84/49/26/1315844926.db2.gz NGPWVEPZBKQJJG-OAGGEKHMSA-N 1 3 325.497 2.704 20 0 EFADHO CCN(CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001255670054 1315855465 /nfs/dbraw/zinc/85/54/65/1315855465.db2.gz MIHHDAYHSBFAEI-MQVJKMGUSA-N 1 3 325.497 2.848 20 0 EFADHO CCN(CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001255670054 1315855467 /nfs/dbraw/zinc/85/54/67/1315855467.db2.gz MIHHDAYHSBFAEI-MQVJKMGUSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)N(C)Cc1nn(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c2c1CCNC2 ZINC001255675764 1315856392 /nfs/dbraw/zinc/85/63/92/1315856392.db2.gz INAWWQVVOMAXEC-SJPCQFCGSA-N 1 3 345.535 2.557 20 0 EFADHO CC(C)N(C)Cc1nn(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c2c1CCNC2 ZINC001255675764 1315856393 /nfs/dbraw/zinc/85/63/93/1315856393.db2.gz INAWWQVVOMAXEC-SJPCQFCGSA-N 1 3 345.535 2.557 20 0 EFADHO Cc1cc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001255682821 1315858344 /nfs/dbraw/zinc/85/83/44/1315858344.db2.gz NZIRCRYNLAURLF-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001255682821 1315858346 /nfs/dbraw/zinc/85/83/46/1315858346.db2.gz NZIRCRYNLAURLF-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255908924 1315879661 /nfs/dbraw/zinc/87/96/61/1315879661.db2.gz AURDQCGJZPSNJF-MRXNPFEDSA-N 1 3 325.497 2.804 20 0 EFADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255908924 1315879663 /nfs/dbraw/zinc/87/96/63/1315879663.db2.gz AURDQCGJZPSNJF-MRXNPFEDSA-N 1 3 325.497 2.804 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255919573 1315881087 /nfs/dbraw/zinc/88/10/87/1315881087.db2.gz NGTXSDSXNKAIOG-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255919573 1315881089 /nfs/dbraw/zinc/88/10/89/1315881089.db2.gz NGTXSDSXNKAIOG-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919573 1315881093 /nfs/dbraw/zinc/88/10/93/1315881093.db2.gz NGTXSDSXNKAIOG-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919573 1315881095 /nfs/dbraw/zinc/88/10/95/1315881095.db2.gz NGTXSDSXNKAIOG-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919574 1315881144 /nfs/dbraw/zinc/88/11/44/1315881144.db2.gz NGTXSDSXNKAIOG-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919574 1315881147 /nfs/dbraw/zinc/88/11/47/1315881147.db2.gz NGTXSDSXNKAIOG-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255940853 1315882687 /nfs/dbraw/zinc/88/26/87/1315882687.db2.gz HNSOLCUJYMQGGB-HOTGVXAUSA-N 1 3 327.513 2.953 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001255944656 1315883114 /nfs/dbraw/zinc/88/31/14/1315883114.db2.gz XANHJAFJKJFTCL-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)N2CCCCC2)CC1 ZINC001255942090 1315883451 /nfs/dbraw/zinc/88/34/51/1315883451.db2.gz DGSHURMXYTVZLK-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946545 1315883557 /nfs/dbraw/zinc/88/35/57/1315883557.db2.gz AVRVZKKZILHADC-CABCVRRESA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946545 1315883560 /nfs/dbraw/zinc/88/35/60/1315883560.db2.gz AVRVZKKZILHADC-CABCVRRESA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ncccc2F)CCOCC1 ZINC001255952469 1315883695 /nfs/dbraw/zinc/88/36/95/1315883695.db2.gz MTAFGAZQTFLILY-MRXNPFEDSA-N 1 3 337.483 2.979 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001255951136 1315883938 /nfs/dbraw/zinc/88/39/38/1315883938.db2.gz GPIDMQCSWUIBRV-BHIYHBOVSA-N 1 3 346.519 2.833 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001255959381 1315884979 /nfs/dbraw/zinc/88/49/79/1315884979.db2.gz LEMOXOIWJMGFOU-YZGWKJHDSA-N 1 3 330.520 2.851 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001255961423 1315886225 /nfs/dbraw/zinc/88/62/25/1315886225.db2.gz MFYXAPVNKOKKAW-JXFKEZNVSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001255961423 1315886229 /nfs/dbraw/zinc/88/62/29/1315886229.db2.gz MFYXAPVNKOKKAW-JXFKEZNVSA-N 1 3 329.488 2.727 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001039622756 1315887210 /nfs/dbraw/zinc/88/72/10/1315887210.db2.gz KCAVCEOWMUVDJJ-GBESFXJTSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001039622756 1315887213 /nfs/dbraw/zinc/88/72/13/1315887213.db2.gz KCAVCEOWMUVDJJ-GBESFXJTSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039644022 1315889215 /nfs/dbraw/zinc/88/92/15/1315889215.db2.gz KYSNIJYSCFJLGW-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039644022 1315889217 /nfs/dbraw/zinc/88/92/17/1315889217.db2.gz KYSNIJYSCFJLGW-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1)C1CC1 ZINC001039644119 1315889313 /nfs/dbraw/zinc/88/93/13/1315889313.db2.gz NZWGJISEIRYGLL-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1)C1CC1 ZINC001039644119 1315889316 /nfs/dbraw/zinc/88/93/16/1315889316.db2.gz NZWGJISEIRYGLL-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677794 1315893719 /nfs/dbraw/zinc/89/37/19/1315893719.db2.gz PYPYOFLUMNONNJ-ZRNYENFQSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677794 1315893723 /nfs/dbraw/zinc/89/37/23/1315893723.db2.gz PYPYOFLUMNONNJ-ZRNYENFQSA-N 1 3 345.531 2.869 20 0 EFADHO CCOC(=O)CCc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC001256071961 1315899085 /nfs/dbraw/zinc/89/90/85/1315899085.db2.gz FGBNPKWGRVXDAA-UHFFFAOYSA-N 1 3 330.472 2.899 20 0 EFADHO CC(C)(C)OC(=O)N1CCCN(C2CC[NH+](C3CC3)CC2)CCC1 ZINC001256081360 1315902181 /nfs/dbraw/zinc/90/21/81/1315902181.db2.gz AQRYRQYEIRIAMX-UHFFFAOYSA-N 1 3 337.508 2.946 20 0 EFADHO O=C(N1C[C@H]2CCC[C@@H](C1)N2CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001039727636 1315916215 /nfs/dbraw/zinc/91/62/15/1315916215.db2.gz SJUVHMLQNOYTIS-KDURUIRLSA-N 1 3 345.531 2.870 20 0 EFADHO CN1CCC(N(c2ncccc2C(F)(F)F)C2CC[NH2+]CC2)CC1 ZINC001256208511 1315918593 /nfs/dbraw/zinc/91/85/93/1315918593.db2.gz BCKUZXBNIUVVKP-UHFFFAOYSA-N 1 3 342.409 2.753 20 0 EFADHO CCOC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001256234805 1315921729 /nfs/dbraw/zinc/92/17/29/1315921729.db2.gz AYFPWCMJNGLQHZ-INIZCTEOSA-N 1 3 333.476 2.704 20 0 EFADHO CCOC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@@H](C)CN)CC1 ZINC001256234805 1315921732 /nfs/dbraw/zinc/92/17/32/1315921732.db2.gz AYFPWCMJNGLQHZ-INIZCTEOSA-N 1 3 333.476 2.704 20 0 EFADHO CCOC(=O)N1CCC(N(Cc2ccccc2)C[C@@H](C)C[NH3+])CC1 ZINC001256234805 1315921737 /nfs/dbraw/zinc/92/17/37/1315921737.db2.gz AYFPWCMJNGLQHZ-INIZCTEOSA-N 1 3 333.476 2.704 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256558696 1315959409 /nfs/dbraw/zinc/95/94/09/1315959409.db2.gz UJJFQGGZPMYVGL-MJUUVYJYSA-N 1 3 327.516 2.923 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@@H]2C1 ZINC001256558696 1315959411 /nfs/dbraw/zinc/95/94/11/1315959411.db2.gz UJJFQGGZPMYVGL-MJUUVYJYSA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(c3cnccn3)CC2)CC1 ZINC001256565494 1315960338 /nfs/dbraw/zinc/96/03/38/1315960338.db2.gz IWCLYERAQPKQHY-UHFFFAOYSA-N 1 3 331.508 2.546 20 0 EFADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC001256587489 1315965379 /nfs/dbraw/zinc/96/53/79/1315965379.db2.gz INXQTBGERNOYTE-FXAWDEMLSA-N 1 3 330.520 2.754 20 0 EFADHO c1cc(CN2CCC(N3CC[NH+](CC4CCCC4)CC3)CC2)ccn1 ZINC001256591558 1315966528 /nfs/dbraw/zinc/96/65/28/1315966528.db2.gz VOEAIDSJXSVIMQ-UHFFFAOYSA-N 1 3 342.531 2.854 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC001256596010 1315966831 /nfs/dbraw/zinc/96/68/31/1315966831.db2.gz ICRAXVXNMYRBAE-UHFFFAOYSA-N 1 3 342.531 2.996 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001256613467 1315969099 /nfs/dbraw/zinc/96/90/99/1315969099.db2.gz NJPDQPWIRKURDA-WOJBJXKFSA-N 1 3 327.516 2.925 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001256622524 1315970211 /nfs/dbraw/zinc/97/02/11/1315970211.db2.gz BLFMKIZNQQNTCQ-SROUJUHQSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001256622524 1315970213 /nfs/dbraw/zinc/97/02/13/1315970213.db2.gz BLFMKIZNQQNTCQ-SROUJUHQSA-N 1 3 339.527 2.984 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256622414 1315970319 /nfs/dbraw/zinc/97/03/19/1315970319.db2.gz ILWNGXHKFNVZIZ-VPSFDDGASA-N 1 3 337.508 2.800 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001256622414 1315970321 /nfs/dbraw/zinc/97/03/21/1315970321.db2.gz ILWNGXHKFNVZIZ-VPSFDDGASA-N 1 3 337.508 2.800 20 0 EFADHO FC(F)(F)c1ccncc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256678758 1315980063 /nfs/dbraw/zinc/98/00/63/1315980063.db2.gz ZWTGZYYYWMVDEV-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO c1ccc(COCCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256680158 1315980215 /nfs/dbraw/zinc/98/02/15/1315980215.db2.gz ZDACTPHHTBMSGL-UHFFFAOYSA-N 1 3 332.488 2.826 20 0 EFADHO Fc1ccc(OCCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678618 1315980295 /nfs/dbraw/zinc/98/02/95/1315980295.db2.gz OYJBSBGSXQGCAR-UHFFFAOYSA-N 1 3 336.451 2.828 20 0 EFADHO COc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681171 1315980656 /nfs/dbraw/zinc/98/06/56/1315980656.db2.gz MQXYGFFKCZEZLL-UHYCVJNDSA-N 1 3 330.472 2.916 20 0 EFADHO Cc1ccc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)nc1 ZINC001256680954 1315980668 /nfs/dbraw/zinc/98/06/68/1315980668.db2.gz GFULLGCHIFAFLC-UHFFFAOYSA-N 1 3 329.488 2.655 20 0 EFADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256683143 1315980748 /nfs/dbraw/zinc/98/07/48/1315980748.db2.gz SYVHWIHQVRDQBA-DAWZGUTISA-N 1 3 338.879 2.606 20 0 EFADHO O[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256686473 1315981311 /nfs/dbraw/zinc/98/13/11/1315981311.db2.gz QRRQRGSKHKFDFC-DAWZGUTISA-N 1 3 338.879 2.606 20 0 EFADHO FC(F)(F)c1cncc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256686215 1315981317 /nfs/dbraw/zinc/98/13/17/1315981317.db2.gz MBOZAOLMSBRKEW-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Cc1cccn2c([C@H](C)[NH2+]C3CCC(N4CCOCC4)CC3)cnc12 ZINC001256685149 1315981418 /nfs/dbraw/zinc/98/14/18/1315981418.db2.gz YOMLUSLDZPJXLB-AOCRQIFASA-N 1 3 342.487 2.937 20 0 EFADHO COc1cccc(OC)c1[C@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256685764 1315981477 /nfs/dbraw/zinc/98/14/77/1315981477.db2.gz GYYFXOGAHKFXCR-GTPINHCMSA-N 1 3 348.487 2.998 20 0 EFADHO COC(=O)c1cccc([C@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683962 1315981505 /nfs/dbraw/zinc/98/15/05/1315981505.db2.gz JIZIDYPEEHYLPZ-MNNVXMFVSA-N 1 3 346.471 2.767 20 0 EFADHO [NH3+]CCc1ccc2c(ccn2C2CCC(N3CCOCC3)CC2)c1 ZINC001256685333 1315981619 /nfs/dbraw/zinc/98/16/19/1315981619.db2.gz BWXSCURUZJWPFU-UHFFFAOYSA-N 1 3 327.472 2.958 20 0 EFADHO Fc1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256687722 1315982469 /nfs/dbraw/zinc/98/24/69/1315982469.db2.gz HACSUHSRIHDERV-IOJLRTSASA-N 1 3 332.463 2.916 20 0 EFADHO CN(C)CC[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256688510 1315982518 /nfs/dbraw/zinc/98/25/18/1315982518.db2.gz CKBHKHIGNUQECN-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO CN(C)CC[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256688510 1315982521 /nfs/dbraw/zinc/98/25/21/1315982521.db2.gz CKBHKHIGNUQECN-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO COc1ccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256695079 1315983229 /nfs/dbraw/zinc/98/32/29/1315983229.db2.gz MMADJUGURBANHT-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO COc1ccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256695079 1315983231 /nfs/dbraw/zinc/98/32/31/1315983231.db2.gz MMADJUGURBANHT-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO C[C@H](Cc1ccncc1)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001256741843 1315988771 /nfs/dbraw/zinc/98/87/71/1315988771.db2.gz MTZJBKAIOCKQRM-DUXKGJEZSA-N 1 3 343.515 2.693 20 0 EFADHO C[C@H](Cc1ccncc1)N1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001256741843 1315988774 /nfs/dbraw/zinc/98/87/74/1315988774.db2.gz MTZJBKAIOCKQRM-DUXKGJEZSA-N 1 3 343.515 2.693 20 0 EFADHO FC(F)(F)Cn1ccc(CNC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001256854128 1315999698 /nfs/dbraw/zinc/99/96/98/1315999698.db2.gz KCPLFPJVMBLVSS-UHFFFAOYSA-N 1 3 339.365 2.599 20 0 EFADHO FC(F)(F)Cn1ccnc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001256853278 1315999754 /nfs/dbraw/zinc/99/97/54/1315999754.db2.gz UXKKMHLAADTTHL-UHFFFAOYSA-N 1 3 339.365 2.599 20 0 EFADHO c1cc(N2CCC(NCc3cc(OC4CCC4)ncn3)CC2)cc[nH+]1 ZINC001256853146 1315999758 /nfs/dbraw/zinc/99/97/58/1315999758.db2.gz QOSHWIYEZHTROL-UHFFFAOYSA-N 1 3 339.443 2.562 20 0 EFADHO Cc1ccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)nc1 ZINC001256861799 1316000616 /nfs/dbraw/zinc/00/06/16/1316000616.db2.gz VXMDTYSJAZEGEI-UHFFFAOYSA-N 1 3 337.471 2.576 20 0 EFADHO c1ccc2c(c1)CCN1CCN(C3CCN(c4cc[nH+]cc4)CC3)C[C@H]21 ZINC001256863338 1316001599 /nfs/dbraw/zinc/00/15/99/1316001599.db2.gz XWUGIJIGZOHCOX-JOCHJYFZSA-N 1 3 348.494 2.965 20 0 EFADHO CCOC(=O)CN(C1CCCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256864954 1316001942 /nfs/dbraw/zinc/00/19/42/1316001942.db2.gz OBFCIENUFIXPHK-UHFFFAOYSA-N 1 3 331.460 2.858 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895048 1316006234 /nfs/dbraw/zinc/00/62/34/1316006234.db2.gz QIDNRESBQUEHEL-JKSUJKDBSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895048 1316006236 /nfs/dbraw/zinc/00/62/36/1316006236.db2.gz QIDNRESBQUEHEL-JKSUJKDBSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001257211123 1316046664 /nfs/dbraw/zinc/04/66/64/1316046664.db2.gz CSNRQURJIZAFGD-SFHVURJKSA-N 1 3 333.451 2.503 20 0 EFADHO CC(C)[NH+]1CCC(NCC2(c3ncccc3F)CCOCC2)CC1 ZINC001257212360 1316046889 /nfs/dbraw/zinc/04/68/89/1316046889.db2.gz RRKVMYYMQQZXGQ-UHFFFAOYSA-N 1 3 335.467 2.731 20 0 EFADHO COc1cccc(CN2CC[C@H]([NH2+]C3CCN(C(C)C)CC3)C2)c1 ZINC001257212171 1316047212 /nfs/dbraw/zinc/04/72/12/1316047212.db2.gz WMXBGMVIFOKWLN-IBGZPJMESA-N 1 3 331.504 2.732 20 0 EFADHO COc1cccc(CN2CC[C@H](NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC001257212171 1316047213 /nfs/dbraw/zinc/04/72/13/1316047213.db2.gz WMXBGMVIFOKWLN-IBGZPJMESA-N 1 3 331.504 2.732 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(C[C@@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001257216639 1316047601 /nfs/dbraw/zinc/04/76/01/1316047601.db2.gz MVKAYTXBMIQHKI-GOSISDBHSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC1 ZINC001257216614 1316047753 /nfs/dbraw/zinc/04/77/53/1316047753.db2.gz MTQWLZXHZABZBU-HBFSDRIKSA-N 1 3 345.487 2.565 20 0 EFADHO CC(C)N1CCC([N@@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001257222980 1316049083 /nfs/dbraw/zinc/04/90/83/1316049083.db2.gz IRJBHZWNSYYQLU-SFHVURJKSA-N 1 3 327.472 2.590 20 0 EFADHO CC(C)N1CCC([N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001257222980 1316049085 /nfs/dbraw/zinc/04/90/85/1316049085.db2.gz IRJBHZWNSYYQLU-SFHVURJKSA-N 1 3 327.472 2.590 20 0 EFADHO CCC[C@@H](CC)N1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257259693 1316052241 /nfs/dbraw/zinc/05/22/41/1316052241.db2.gz MEVFGBCVTCSRNP-QGZVFWFLSA-N 1 3 334.508 2.870 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCCC2)C1 ZINC001040005824 1316052309 /nfs/dbraw/zinc/05/23/09/1316052309.db2.gz HSCZZPDKDLKWHF-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCCC2)C1 ZINC001040005824 1316052312 /nfs/dbraw/zinc/05/23/12/1316052312.db2.gz HSCZZPDKDLKWHF-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001040014213 1316055105 /nfs/dbraw/zinc/05/51/05/1316055105.db2.gz HGKIZONIZSXHCW-KDURUIRLSA-N 1 3 341.499 2.837 20 0 EFADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@H]([NH2+]C1CCCCC1)C2 ZINC001257450035 1316066762 /nfs/dbraw/zinc/06/67/62/1316066762.db2.gz PNKIGRZWSVFQBT-IBGZPJMESA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)CC[NH+](CCN(C)C)C1CCC(OCc2ccccc2)CC1 ZINC001257833621 1316095542 /nfs/dbraw/zinc/09/55/42/1316095542.db2.gz ZDBCWFJZGLSPGP-UHFFFAOYSA-N 1 3 347.547 2.940 20 0 EFADHO C[C@@H](CN)C[N@H+](C)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843145 1316096512 /nfs/dbraw/zinc/09/65/12/1316096512.db2.gz OFLKYQYLYLFJJV-LSVZVQIISA-N 1 3 325.497 2.549 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257843145 1316096514 /nfs/dbraw/zinc/09/65/14/1316096514.db2.gz OFLKYQYLYLFJJV-LSVZVQIISA-N 1 3 325.497 2.549 20 0 EFADHO COc1cccc(C2([NH3+])CCN(C3CCC4(COC4)CC3)CC2)c1 ZINC001257902074 1316101960 /nfs/dbraw/zinc/10/19/60/1316101960.db2.gz BWBGIEANSWLEGP-UHFFFAOYSA-N 1 3 330.472 2.904 20 0 EFADHO CC(C)C[NH+]1CCC(N2CC[C@@]3(C2)c2ccccc2N(C)C3=O)CC1 ZINC001258014355 1316110758 /nfs/dbraw/zinc/11/07/58/1316110758.db2.gz GZURICNEGIQFER-OAQYLSRUSA-N 1 3 341.499 2.727 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@@H](C)CCSC)CC2)C1 ZINC001258216339 1316132507 /nfs/dbraw/zinc/13/25/07/1316132507.db2.gz XKINKOPABJCVOF-JKSUJKDBSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@@H](C)CCSC)CC2)C1 ZINC001258216339 1316132509 /nfs/dbraw/zinc/13/25/09/1316132509.db2.gz XKINKOPABJCVOF-JKSUJKDBSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN([C@H](C)CCSC)CC2)C1 ZINC001258216338 1316132622 /nfs/dbraw/zinc/13/26/22/1316132622.db2.gz XKINKOPABJCVOF-HZPDHXFCSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN([C@H](C)CCSC)CC2)C1 ZINC001258216338 1316132623 /nfs/dbraw/zinc/13/26/23/1316132623.db2.gz XKINKOPABJCVOF-HZPDHXFCSA-N 1 3 342.549 2.868 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCCCCCC1)CC2 ZINC001258239222 1316134378 /nfs/dbraw/zinc/13/43/78/1316134378.db2.gz ADMBZWZJNZPYRI-UHFFFAOYSA-N 1 3 345.531 2.923 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCCCCCC1)CC2 ZINC001258239222 1316134381 /nfs/dbraw/zinc/13/43/81/1316134381.db2.gz ADMBZWZJNZPYRI-UHFFFAOYSA-N 1 3 345.531 2.923 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CCCC(C)(C)C1)CC2 ZINC001258286117 1316136778 /nfs/dbraw/zinc/13/67/78/1316136778.db2.gz GKZHFZAAIHALHV-SFHVURJKSA-N 1 3 345.531 2.779 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCCC(C)(C)C1)CC2 ZINC001258286117 1316136780 /nfs/dbraw/zinc/13/67/80/1316136780.db2.gz GKZHFZAAIHALHV-SFHVURJKSA-N 1 3 345.531 2.779 20 0 EFADHO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258447775 1316151296 /nfs/dbraw/zinc/15/12/96/1316151296.db2.gz XIXQAPKJZSLHIF-QFBILLFUSA-N 1 3 343.515 2.580 20 0 EFADHO CCOC(=O)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258483202 1316154285 /nfs/dbraw/zinc/15/42/85/1316154285.db2.gz KTIUTHCVXDYYQV-MRXNPFEDSA-N 1 3 333.476 2.615 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)CCC1 ZINC001040235697 1316157862 /nfs/dbraw/zinc/15/78/62/1316157862.db2.gz FZEKDKXTQUUWLW-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)CCC1 ZINC001040235697 1316157863 /nfs/dbraw/zinc/15/78/63/1316157863.db2.gz FZEKDKXTQUUWLW-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCC2)C3)CCC1 ZINC001040237583 1316158836 /nfs/dbraw/zinc/15/88/36/1316158836.db2.gz UHQFUURZQWXCPU-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCC2)C3)CCC1 ZINC001040237583 1316158838 /nfs/dbraw/zinc/15/88/38/1316158838.db2.gz UHQFUURZQWXCPU-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241374 1316161175 /nfs/dbraw/zinc/16/11/75/1316161175.db2.gz NRVZACBNUTWIGJ-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241374 1316161178 /nfs/dbraw/zinc/16/11/78/1316161178.db2.gz NRVZACBNUTWIGJ-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001258769717 1316175790 /nfs/dbraw/zinc/17/57/90/1316175790.db2.gz DLCDVOMDBHTHBE-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001258771210 1316175852 /nfs/dbraw/zinc/17/58/52/1316175852.db2.gz YETNDJRNJABTBE-BPQIPLTHSA-N 1 3 349.519 2.872 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3ncnc4ccccc43)C2)CC1 ZINC001258769849 1316176010 /nfs/dbraw/zinc/17/60/10/1316176010.db2.gz MQNDSWBLKLRXNS-QGZVFWFLSA-N 1 3 339.487 2.673 20 0 EFADHO CCCN1CCC([N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001258772863 1316177001 /nfs/dbraw/zinc/17/70/01/1316177001.db2.gz ZMJZVGWPOWXLTC-CALCHBBNSA-N 1 3 333.545 2.986 20 0 EFADHO CCCN1CCC([N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001258772863 1316177003 /nfs/dbraw/zinc/17/70/03/1316177003.db2.gz ZMJZVGWPOWXLTC-CALCHBBNSA-N 1 3 333.545 2.986 20 0 EFADHO CCCN1CCC([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258775339 1316177258 /nfs/dbraw/zinc/17/72/58/1316177258.db2.gz LANFWVDCTIVOQV-BGYRXZFFSA-N 1 3 327.516 2.925 20 0 EFADHO CCCN1CCC([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001258775339 1316177259 /nfs/dbraw/zinc/17/72/59/1316177259.db2.gz LANFWVDCTIVOQV-BGYRXZFFSA-N 1 3 327.516 2.925 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001258774910 1316177294 /nfs/dbraw/zinc/17/72/94/1316177294.db2.gz STGDMRJZDVHZAH-SFHVURJKSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)CC1 ZINC001258773958 1316177555 /nfs/dbraw/zinc/17/75/55/1316177555.db2.gz GCSFVPFVYNSYGM-IBGZPJMESA-N 1 3 341.499 2.814 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)CC1 ZINC001258773959 1316177786 /nfs/dbraw/zinc/17/77/86/1316177786.db2.gz GCSFVPFVYNSYGM-LJQANCHMSA-N 1 3 341.499 2.814 20 0 EFADHO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792598 1316179170 /nfs/dbraw/zinc/17/91/70/1316179170.db2.gz HMLQAEJZNYMIQB-DOTOQJQBSA-N 1 3 334.508 2.725 20 0 EFADHO CC[C@H](C[C@@H](C)CC)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792598 1316179171 /nfs/dbraw/zinc/17/91/71/1316179171.db2.gz HMLQAEJZNYMIQB-DOTOQJQBSA-N 1 3 334.508 2.725 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(Cc2ccccn2)cn1 ZINC001258905797 1316190916 /nfs/dbraw/zinc/19/09/16/1316190916.db2.gz XRPSBAGQYWMDHY-QGZVFWFLSA-N 1 3 329.492 2.927 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040381731 1316231780 /nfs/dbraw/zinc/23/17/80/1316231780.db2.gz YOSSVMBWVJWIAB-QUCCMNQESA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001040381731 1316231784 /nfs/dbraw/zinc/23/17/84/1316231784.db2.gz YOSSVMBWVJWIAB-QUCCMNQESA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394571 1316241250 /nfs/dbraw/zinc/24/12/50/1316241250.db2.gz JKTOCKZDGBMYTG-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394571 1316241253 /nfs/dbraw/zinc/24/12/53/1316241253.db2.gz JKTOCKZDGBMYTG-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040430839 1316260698 /nfs/dbraw/zinc/26/06/98/1316260698.db2.gz CYMBAFQBZCAZRY-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040430839 1316260700 /nfs/dbraw/zinc/26/07/00/1316260700.db2.gz CYMBAFQBZCAZRY-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040542013 1316314457 /nfs/dbraw/zinc/31/44/57/1316314457.db2.gz FCRSUXMUMNCOLD-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001040542013 1316314459 /nfs/dbraw/zinc/31/44/59/1316314459.db2.gz FCRSUXMUMNCOLD-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040544794 1316315833 /nfs/dbraw/zinc/31/58/33/1316315833.db2.gz JLQDICMMVHYMAB-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001040544794 1316315836 /nfs/dbraw/zinc/31/58/36/1316315836.db2.gz JLQDICMMVHYMAB-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001040640505 1316341807 /nfs/dbraw/zinc/34/18/07/1316341807.db2.gz BJXQSKNDDAABNP-QGZVFWFLSA-N 1 3 347.528 2.657 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727953 1316361472 /nfs/dbraw/zinc/36/14/72/1316361472.db2.gz WTCMTJVIXBUTOO-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001040735019 1316362777 /nfs/dbraw/zinc/36/27/77/1316362777.db2.gz HCHHICAGXXVEHH-ACBHZAAOSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040847874 1316388111 /nfs/dbraw/zinc/38/81/11/1316388111.db2.gz BHNFDLZABGQERY-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847450 1316388457 /nfs/dbraw/zinc/38/84/57/1316388457.db2.gz PGTHHSFCAFFKCH-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848139 1316388785 /nfs/dbraw/zinc/38/87/85/1316388785.db2.gz DYUWFYXZXLLWJY-GOSISDBHSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001072544122 1316398427 /nfs/dbraw/zinc/39/84/27/1316398427.db2.gz BNNXILHMDXDGMD-MAUKXSAKSA-N 1 3 345.462 2.515 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001072544122 1316398430 /nfs/dbraw/zinc/39/84/30/1316398430.db2.gz BNNXILHMDXDGMD-MAUKXSAKSA-N 1 3 345.462 2.515 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040950962 1316409815 /nfs/dbraw/zinc/40/98/15/1316409815.db2.gz CDQFBMLKBJNUIP-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)c1 ZINC001073016399 1316430463 /nfs/dbraw/zinc/43/04/63/1316430463.db2.gz XAGFYXBGYNBIME-MRXNPFEDSA-N 1 3 338.455 2.556 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CCC3(CN(C(=O)Cc4c[nH]cn4)C3)C2)c1 ZINC001073016399 1316430467 /nfs/dbraw/zinc/43/04/67/1316430467.db2.gz XAGFYXBGYNBIME-MRXNPFEDSA-N 1 3 338.455 2.556 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCCC4CCC4)C3)C2)CCC1 ZINC001041352991 1316524654 /nfs/dbraw/zinc/52/46/54/1316524654.db2.gz DVZAYOCDAWQBJW-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCCC4CCC4)C3)C2)CCC1 ZINC001041352991 1316524658 /nfs/dbraw/zinc/52/46/58/1316524658.db2.gz DVZAYOCDAWQBJW-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565061 1316525409 /nfs/dbraw/zinc/52/54/09/1316525409.db2.gz QQXFGRQIHMXOMB-WBAXXEDZSA-N 1 3 349.906 2.556 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CCC4CCCC4)C3)C2)CCC1 ZINC001041356312 1316525510 /nfs/dbraw/zinc/52/55/10/1316525510.db2.gz WSJLLNLHKRNHFQ-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CCC4CCCC4)C3)C2)CCC1 ZINC001041356312 1316525514 /nfs/dbraw/zinc/52/55/14/1316525514.db2.gz WSJLLNLHKRNHFQ-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)CCC1 ZINC001041355866 1316525613 /nfs/dbraw/zinc/52/56/13/1316525613.db2.gz RRIYOOILUIXBFF-GOSISDBHSA-N 1 3 347.528 2.657 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)CCC1 ZINC001041355866 1316525614 /nfs/dbraw/zinc/52/56/14/1316525614.db2.gz RRIYOOILUIXBFF-GOSISDBHSA-N 1 3 347.528 2.657 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CC4=CCCCC4)C3)C2)CCC1 ZINC001041356560 1316526266 /nfs/dbraw/zinc/52/62/66/1316526266.db2.gz ZGQOHXQXZJFWQY-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)CCC1 ZINC001041356560 1316526268 /nfs/dbraw/zinc/52/62/68/1316526268.db2.gz ZGQOHXQXZJFWQY-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356722 1316526325 /nfs/dbraw/zinc/52/63/25/1316526325.db2.gz BJUZYNALXXARHC-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356722 1316526328 /nfs/dbraw/zinc/52/63/28/1316526328.db2.gz BJUZYNALXXARHC-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001041358653 1316526638 /nfs/dbraw/zinc/52/66/38/1316526638.db2.gz PNAPPPGIZQQVJQ-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CCC1 ZINC001041358653 1316526640 /nfs/dbraw/zinc/52/66/40/1316526640.db2.gz PNAPPPGIZQQVJQ-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357691 1316527293 /nfs/dbraw/zinc/52/72/93/1316527293.db2.gz IIWIMZMLLAXTMM-HKUYNNGSSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357691 1316527297 /nfs/dbraw/zinc/52/72/97/1316527297.db2.gz IIWIMZMLLAXTMM-HKUYNNGSSA-N 1 3 347.528 2.513 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CCC1 ZINC001041360416 1316527783 /nfs/dbraw/zinc/52/77/83/1316527783.db2.gz XSOKYWDDKTXMTE-NRFANRHFSA-N 1 3 345.531 2.896 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CCC1 ZINC001041360416 1316527785 /nfs/dbraw/zinc/52/77/85/1316527785.db2.gz XSOKYWDDKTXMTE-NRFANRHFSA-N 1 3 345.531 2.896 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)cc1C ZINC001074878143 1316539055 /nfs/dbraw/zinc/53/90/55/1316539055.db2.gz CBHCVGZWLXNWDL-BPAFIMBUSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)c1 ZINC001074877886 1316539402 /nfs/dbraw/zinc/53/94/02/1316539402.db2.gz QTIRLNBTLIDHJT-ZWOKBUDYSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3)[C@@H]2C)C1 ZINC001074878484 1316539494 /nfs/dbraw/zinc/53/94/94/1316539494.db2.gz ZGAPWEIUKGOVTE-VKJFTORMSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)c1 ZINC001074877818 1316539539 /nfs/dbraw/zinc/53/95/39/1316539539.db2.gz NZJXVNUVZKHPLG-HBFSDRIKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)cc1 ZINC001074877720 1316539611 /nfs/dbraw/zinc/53/96/11/1316539611.db2.gz IYLGWUGCPRAKIB-AOIWGVFYSA-N 1 3 329.488 2.558 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041402873 1316540851 /nfs/dbraw/zinc/54/08/51/1316540851.db2.gz KIOHJSZMMUHAHM-IEBWSBKVSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041402873 1316540854 /nfs/dbraw/zinc/54/08/54/1316540854.db2.gz KIOHJSZMMUHAHM-IEBWSBKVSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041405101 1316541984 /nfs/dbraw/zinc/54/19/84/1316541984.db2.gz ZXNYCOUHWXCQNR-AEFFLSMTSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041405101 1316541986 /nfs/dbraw/zinc/54/19/86/1316541986.db2.gz ZXNYCOUHWXCQNR-AEFFLSMTSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671844 1316643349 /nfs/dbraw/zinc/64/33/49/1316643349.db2.gz OKSAAXHWIDRMKI-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041671844 1316643352 /nfs/dbraw/zinc/64/33/52/1316643352.db2.gz OKSAAXHWIDRMKI-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001041672352 1316643735 /nfs/dbraw/zinc/64/37/35/1316643735.db2.gz BICMAZVKCKQMLC-GHTZIAJQSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001041672352 1316643737 /nfs/dbraw/zinc/64/37/37/1316643737.db2.gz BICMAZVKCKQMLC-GHTZIAJQSA-N 1 3 341.499 2.595 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674798 1316644546 /nfs/dbraw/zinc/64/45/46/1316644546.db2.gz KXOMKGVMCPOUOB-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001041674798 1316644548 /nfs/dbraw/zinc/64/45/48/1316644548.db2.gz KXOMKGVMCPOUOB-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001041676191 1316645039 /nfs/dbraw/zinc/64/50/39/1316645039.db2.gz WAROYOVWGJIEFN-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001041676191 1316645040 /nfs/dbraw/zinc/64/50/40/1316645040.db2.gz WAROYOVWGJIEFN-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677692 1316646028 /nfs/dbraw/zinc/64/60/28/1316646028.db2.gz DWNSDUARELGWSM-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677692 1316646029 /nfs/dbraw/zinc/64/60/29/1316646029.db2.gz DWNSDUARELGWSM-OALUTQOASA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679540 1316646477 /nfs/dbraw/zinc/64/64/77/1316646477.db2.gz NUOWWDXLPFCTAU-GHTZIAJQSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679540 1316646481 /nfs/dbraw/zinc/64/64/81/1316646481.db2.gz NUOWWDXLPFCTAU-GHTZIAJQSA-N 1 3 345.531 2.753 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041684730 1316647569 /nfs/dbraw/zinc/64/75/69/1316647569.db2.gz FIOGHQQMKIIJIP-ICSRJNTNSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041684730 1316647572 /nfs/dbraw/zinc/64/75/72/1316647572.db2.gz FIOGHQQMKIIJIP-ICSRJNTNSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041687840 1316648432 /nfs/dbraw/zinc/64/84/32/1316648432.db2.gz RVUMQOLXPHKXQC-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041687840 1316648436 /nfs/dbraw/zinc/64/84/36/1316648436.db2.gz RVUMQOLXPHKXQC-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712288 1316657786 /nfs/dbraw/zinc/65/77/86/1316657786.db2.gz MQBJVTUOXUNLGF-OXQOHEQNSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712288 1316657788 /nfs/dbraw/zinc/65/77/88/1316657788.db2.gz MQBJVTUOXUNLGF-OXQOHEQNSA-N 1 3 338.455 2.638 20 0 EFADHO CC1CCC(C[N@@H+]2CC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC001041712815 1316658345 /nfs/dbraw/zinc/65/83/45/1316658345.db2.gz XDACPTZKPBCBES-UHYCVJNDSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CCC(C[N@H+]2CC[C@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC001041712815 1316658347 /nfs/dbraw/zinc/65/83/47/1316658347.db2.gz XDACPTZKPBCBES-UHYCVJNDSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041723599 1316666569 /nfs/dbraw/zinc/66/65/69/1316666569.db2.gz JUFRBCDFXLFBQU-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041723599 1316666572 /nfs/dbraw/zinc/66/65/72/1316666572.db2.gz JUFRBCDFXLFBQU-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724512 1316667052 /nfs/dbraw/zinc/66/70/52/1316667052.db2.gz ZLGDGOVIJUENPC-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724512 1316667056 /nfs/dbraw/zinc/66/70/56/1316667056.db2.gz ZLGDGOVIJUENPC-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755708 1316682913 /nfs/dbraw/zinc/68/29/13/1316682913.db2.gz AYWCFQJMPVUSHU-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755708 1316682916 /nfs/dbraw/zinc/68/29/16/1316682916.db2.gz AYWCFQJMPVUSHU-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042062525 1316852958 /nfs/dbraw/zinc/85/29/58/1316852958.db2.gz MPTDSDSGZQBOLN-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001042062525 1316852960 /nfs/dbraw/zinc/85/29/60/1316852960.db2.gz MPTDSDSGZQBOLN-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063205 1316853759 /nfs/dbraw/zinc/85/37/59/1316853759.db2.gz SCQHEKISKXZLHQ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001042063205 1316853760 /nfs/dbraw/zinc/85/37/60/1316853760.db2.gz SCQHEKISKXZLHQ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@@H+](C/C=C/Cl)[C@H]2C1 ZINC001042132432 1316899555 /nfs/dbraw/zinc/89/95/55/1316899555.db2.gz CRAIHRIWYWRAGO-IKRIAERUSA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@H+](C/C=C/Cl)[C@H]2C1 ZINC001042132432 1316899557 /nfs/dbraw/zinc/89/95/57/1316899557.db2.gz CRAIHRIWYWRAGO-IKRIAERUSA-N 1 3 344.846 2.623 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCCC3)[C@@H]2C1)N1CCCC1 ZINC001042186439 1316939621 /nfs/dbraw/zinc/93/96/21/1316939621.db2.gz HHILHSKCHOJQCV-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C1)N1CCCC1 ZINC001042186439 1316939624 /nfs/dbraw/zinc/93/96/24/1316939624.db2.gz HHILHSKCHOJQCV-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(Cc4ccsc4)[C@H]3C2)CC1 ZINC001042213233 1316964206 /nfs/dbraw/zinc/96/42/06/1316964206.db2.gz DVUFKXVVTBCNIP-WMZOPIPTSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCCC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042313895 1317136865 /nfs/dbraw/zinc/13/68/65/1317136865.db2.gz KWJKXTXOIMGXQR-DLBZAZTESA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C1)c1c[nH]cn1 ZINC001042313895 1317136866 /nfs/dbraw/zinc/13/68/66/1317136866.db2.gz KWJKXTXOIMGXQR-DLBZAZTESA-N 1 3 344.503 2.800 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042364991 1317216097 /nfs/dbraw/zinc/21/60/97/1317216097.db2.gz HTCBAKZOFDLZAX-PKOBYXMFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042364991 1317216103 /nfs/dbraw/zinc/21/61/03/1317216103.db2.gz HTCBAKZOFDLZAX-PKOBYXMFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042364989 1317216451 /nfs/dbraw/zinc/21/64/51/1317216451.db2.gz HTCBAKZOFDLZAX-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042364989 1317216456 /nfs/dbraw/zinc/21/64/56/1317216456.db2.gz HTCBAKZOFDLZAX-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042364990 1317217029 /nfs/dbraw/zinc/21/70/29/1317217029.db2.gz HTCBAKZOFDLZAX-MJGOQNOKSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042364990 1317217036 /nfs/dbraw/zinc/21/70/36/1317217036.db2.gz HTCBAKZOFDLZAX-MJGOQNOKSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001280084223 1317449418 /nfs/dbraw/zinc/44/94/18/1317449418.db2.gz OSTGKZVJPXDLQW-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001492114864 1324218833 /nfs/dbraw/zinc/21/88/33/1324218833.db2.gz KNIIXHVPJVXNMM-RDTXWAMCSA-N 1 3 340.471 2.823 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC001492114506 1324219397 /nfs/dbraw/zinc/21/93/97/1324219397.db2.gz GZNWOBRCQWBSJG-HUUCEWRRSA-N 1 3 328.460 2.815 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001492277990 1324395878 /nfs/dbraw/zinc/39/58/78/1324395878.db2.gz IRCCTGDTNUCZQM-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001492277990 1324395885 /nfs/dbraw/zinc/39/58/85/1324395885.db2.gz IRCCTGDTNUCZQM-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001492316535 1324416361 /nfs/dbraw/zinc/41/63/61/1324416361.db2.gz QKFYVBMUXOAIQI-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001492316535 1324416367 /nfs/dbraw/zinc/41/63/67/1324416367.db2.gz QKFYVBMUXOAIQI-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)C1 ZINC001316949506 1325406625 /nfs/dbraw/zinc/40/66/25/1325406625.db2.gz UBVBDIGLOLSODV-ROUUACIJSA-N 1 3 341.515 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(CCCCCF)C2)C1 ZINC001316949506 1325406628 /nfs/dbraw/zinc/40/66/28/1325406628.db2.gz UBVBDIGLOLSODV-ROUUACIJSA-N 1 3 341.515 2.829 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001371870872 1340732374 /nfs/dbraw/zinc/73/23/74/1340732374.db2.gz YNRKPGKTPWEKOV-BBRMVZONSA-N 1 3 325.884 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001381287347 1348188591 /nfs/dbraw/zinc/18/85/91/1348188591.db2.gz CIEQCLFEKLOOMI-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001381287347 1348188593 /nfs/dbraw/zinc/18/85/93/1348188593.db2.gz CIEQCLFEKLOOMI-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO C[N@H+](CCCc1ccccc1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381292624 1348192369 /nfs/dbraw/zinc/19/23/69/1348192369.db2.gz CALOLIXRHQTYNB-IBGZPJMESA-N 1 3 340.471 2.508 20 0 EFADHO C[N@@H+](CCCc1ccccc1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381292624 1348192371 /nfs/dbraw/zinc/19/23/71/1348192371.db2.gz CALOLIXRHQTYNB-IBGZPJMESA-N 1 3 340.471 2.508 20 0 EFADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc(Cl)n1 ZINC001325058149 1329668538 /nfs/dbraw/zinc/66/85/38/1329668538.db2.gz NVVPSCSTEIQLBM-SFHVURJKSA-N 1 3 345.874 2.900 20 0 EFADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(Cl)n1 ZINC001325058149 1329668540 /nfs/dbraw/zinc/66/85/40/1329668540.db2.gz NVVPSCSTEIQLBM-SFHVURJKSA-N 1 3 345.874 2.900 20 0 EFADHO C[C@H]1CCN(C(=O)NCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC001326062292 1329731697 /nfs/dbraw/zinc/73/16/97/1329731697.db2.gz UANDFSYQSONMQC-SFHVURJKSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]1CCN(C(=O)NCCCCCC[NH3+])CCN1Cc1ccccc1 ZINC001326062291 1329731751 /nfs/dbraw/zinc/73/17/51/1329731751.db2.gz UANDFSYQSONMQC-GOSISDBHSA-N 1 3 346.519 2.812 20 0 EFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2)CC1 ZINC001326408422 1329753852 /nfs/dbraw/zinc/75/38/52/1329753852.db2.gz KNAODYGGZDJJQZ-IBGZPJMESA-N 1 3 344.503 2.675 20 0 EFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H](N)C3CCCCC3)cc2)CC1 ZINC001326408422 1329753853 /nfs/dbraw/zinc/75/38/53/1329753853.db2.gz KNAODYGGZDJJQZ-IBGZPJMESA-N 1 3 344.503 2.675 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)C(C)(C)C)cc2)CC1 ZINC001330656226 1330764429 /nfs/dbraw/zinc/76/44/29/1330764429.db2.gz DRQZNNMOEYAFFI-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)C(C)(C)C)cc2)CC1 ZINC001330656226 1330764433 /nfs/dbraw/zinc/76/44/33/1330764433.db2.gz DRQZNNMOEYAFFI-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001333731489 1331204191 /nfs/dbraw/zinc/20/41/91/1331204191.db2.gz CATKBSWALXFODI-OALUTQOASA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001333731489 1331204193 /nfs/dbraw/zinc/20/41/93/1331204193.db2.gz CATKBSWALXFODI-OALUTQOASA-N 1 3 344.503 2.673 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001335395580 1331342856 /nfs/dbraw/zinc/34/28/56/1331342856.db2.gz WTIJADXRGKHYJI-DAYGRLMNSA-N 1 3 340.895 2.852 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C[C@H](C)O1 ZINC001336762790 1331500524 /nfs/dbraw/zinc/50/05/24/1331500524.db2.gz ISORDWLRUNDYEN-HDICACEKSA-N 1 3 347.503 2.519 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC001336764158 1331500698 /nfs/dbraw/zinc/50/06/98/1331500698.db2.gz VGMLBALELAMVCW-MPGHIAIKSA-N 1 3 340.895 2.852 20 0 EFADHO CN(C)C(=O)OCCN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001340015667 1332128249 /nfs/dbraw/zinc/12/82/49/1332128249.db2.gz DHWXDLKNJCCSFT-QGZVFWFLSA-N 1 3 333.476 2.575 20 0 EFADHO CN(C)C(=O)OCCN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001340015667 1332128251 /nfs/dbraw/zinc/12/82/51/1332128251.db2.gz DHWXDLKNJCCSFT-QGZVFWFLSA-N 1 3 333.476 2.575 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)N(C)C ZINC001346224200 1332613809 /nfs/dbraw/zinc/61/38/09/1332613809.db2.gz GGYSGEOENDMZLM-HZMBPMFUSA-N 1 3 333.245 2.551 20 0 EFADHO C[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CN(C)C ZINC001346223893 1332613827 /nfs/dbraw/zinc/61/38/27/1332613827.db2.gz AQWUJNDXPVGNJM-LBPRGKRZSA-N 1 3 342.281 2.565 20 0 EFADHO C[C@@H](CNCCC(=O)Nc1cccc(Br)c1)C[NH+](C)C ZINC001346223893 1332613833 /nfs/dbraw/zinc/61/38/33/1332613833.db2.gz AQWUJNDXPVGNJM-LBPRGKRZSA-N 1 3 342.281 2.565 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1OC ZINC001414096512 1332638498 /nfs/dbraw/zinc/63/84/98/1332638498.db2.gz HPDHUGYTCZTSNR-ZWKOTPCHSA-N 1 3 348.487 2.561 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cc2cccc(OC)c2o1 ZINC001346589298 1332659284 /nfs/dbraw/zinc/65/92/84/1332659284.db2.gz YWCSHHWJVGPCTC-AWEZNQCLSA-N 1 3 330.432 2.540 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](N)C2CCCCC2)c1 ZINC001349474779 1332957730 /nfs/dbraw/zinc/95/77/30/1332957730.db2.gz XOTMZPMOLJQIFR-SFHVURJKSA-N 1 3 333.476 2.863 20 0 EFADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001100442482 1334119173 /nfs/dbraw/zinc/11/91/73/1334119173.db2.gz JOKYMAXACUDOSN-BDVYOWHSSA-N 1 3 337.895 2.665 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001100652047 1334491979 /nfs/dbraw/zinc/49/19/79/1334491979.db2.gz WJEBDNURXBNDMO-CTWPCTMYSA-N 1 3 349.494 2.727 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001100673889 1334545766 /nfs/dbraw/zinc/54/57/66/1334545766.db2.gz DHMBYUMRSUGUSR-CHRBUYTOSA-N 1 3 341.499 2.669 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC001100675859 1334549483 /nfs/dbraw/zinc/54/94/83/1334549483.db2.gz ATOVEUMASUHCAM-NXVRBGIVSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001100676374 1334550803 /nfs/dbraw/zinc/55/08/03/1334550803.db2.gz MKYTTYHMGMPBDH-QHGAOEGBSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001100676845 1334552302 /nfs/dbraw/zinc/55/23/02/1334552302.db2.gz TZUKMIYXOWAPPQ-HPUBIQBYSA-N 1 3 349.906 2.809 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001100678709 1334556709 /nfs/dbraw/zinc/55/67/09/1334556709.db2.gz UOSISMGFKRHICZ-DZIBYMRMSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)C1 ZINC001100678690 1334556960 /nfs/dbraw/zinc/55/69/60/1334556960.db2.gz TXTRCFFPDXPRFF-IVMQYODDSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCCC3CCCC3)C2)C1 ZINC001100678689 1334556998 /nfs/dbraw/zinc/55/69/98/1334556998.db2.gz TXTRCFFPDXPRFF-IPJUCJBFSA-N 1 3 335.536 2.783 20 0 EFADHO CCC(CC)C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681478 1334564341 /nfs/dbraw/zinc/56/43/41/1334564341.db2.gz LJILQVGHBNTQOI-UHFFFAOYSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)CCC[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681787 1334564736 /nfs/dbraw/zinc/56/47/36/1334564736.db2.gz SQQXHYWLYHHMDO-UHFFFAOYSA-N 1 3 325.541 2.885 20 0 EFADHO CCc1ccccc1CC[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683857 1334569810 /nfs/dbraw/zinc/56/98/10/1334569810.db2.gz VOPHMADIRCDRTO-GQOXECLESA-N 1 3 345.531 2.616 20 0 EFADHO CCc1ccc(CC[NH2+]C2CC(CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001100684722 1334571557 /nfs/dbraw/zinc/57/15/57/1334571557.db2.gz MBXKZVNLHAGULE-MHJFOBGBSA-N 1 3 345.531 2.616 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100729354 1334686073 /nfs/dbraw/zinc/68/60/73/1334686073.db2.gz BSGNWKHJNKMNJQ-DAWZGUTISA-N 1 3 341.515 2.874 20 0 EFADHO O[C@@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000848534225 1334780655 /nfs/dbraw/zinc/78/06/55/1334780655.db2.gz YUHIBHVNIQOMGT-IRXDYDNUSA-N 1 3 346.496 2.778 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccc(F)cc12 ZINC000848987489 1335026689 /nfs/dbraw/zinc/02/66/89/1335026689.db2.gz AJPSQLKVTYDCKM-MRXNPFEDSA-N 1 3 345.466 2.838 20 0 EFADHO CCC(CC)(CO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848989920 1335027661 /nfs/dbraw/zinc/02/76/61/1335027661.db2.gz LHZIDNDEDJTHSI-UHFFFAOYSA-N 1 3 346.519 2.564 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)N(C)C ZINC001356594748 1335059727 /nfs/dbraw/zinc/05/97/27/1335059727.db2.gz FXOJZCCAWZHQPV-FZMZJTMJSA-N 1 3 335.275 2.663 20 0 EFADHO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](C)N2CCCC2)c1 ZINC000849061905 1335064102 /nfs/dbraw/zinc/06/41/02/1335064102.db2.gz CEVNYKZIIUJZRR-AWEZNQCLSA-N 1 3 334.464 2.905 20 0 EFADHO COCCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849064431 1335066363 /nfs/dbraw/zinc/06/63/63/1335066363.db2.gz YRHODJWMVHRWMP-UHFFFAOYSA-N 1 3 332.492 2.582 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)c1ccccc1OC ZINC000849066594 1335066990 /nfs/dbraw/zinc/06/69/90/1335066990.db2.gz HSDKONVRXODVGL-HNNXBMFYSA-N 1 3 332.492 2.571 20 0 EFADHO CO[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849076104 1335070127 /nfs/dbraw/zinc/07/01/27/1335070127.db2.gz AMISBLZEQGMANJ-IEBWSBKVSA-N 1 3 344.503 2.580 20 0 EFADHO [NH2+]=C(NCCOCC1CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849086367 1335072661 /nfs/dbraw/zinc/07/26/61/1335072661.db2.gz MKYCRWGUGVKEIO-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO [NH2+]=C(NCCC(F)(F)F)NC1CCN(Cc2ccccc2)CC1 ZINC000849088761 1335073140 /nfs/dbraw/zinc/07/31/40/1335073140.db2.gz XMBIPGJDFJTSBU-UHFFFAOYSA-N 1 3 328.382 2.717 20 0 EFADHO CSC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849104548 1335552636 /nfs/dbraw/zinc/55/26/36/1335552636.db2.gz QIOOJWXRDXSNKD-UHFFFAOYSA-N 1 3 332.517 2.661 20 0 EFADHO CCOc1cccc([C@@H]2C[C@H]2NC(=[NH2+])NC[C@@H]2CCCN2CC)c1 ZINC000849106074 1335553089 /nfs/dbraw/zinc/55/30/89/1335553089.db2.gz RSOAZQGBCJPFRQ-RYQLBKOJSA-N 1 3 330.476 2.539 20 0 EFADHO [NH2+]=C(NC[C@H]1CCSC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849110308 1335553659 /nfs/dbraw/zinc/55/36/59/1335553659.db2.gz BJTYIVQKTSQXPK-MRXNPFEDSA-N 1 3 332.517 2.518 20 0 EFADHO CC[C@H](C)[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113506 1335554724 /nfs/dbraw/zinc/55/47/24/1335554724.db2.gz PYXXWPFEJZKOGQ-LPHOPBHVSA-N 1 3 346.519 2.826 20 0 EFADHO CCCCN1CCC([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC001414062849 1335608210 /nfs/dbraw/zinc/60/82/10/1335608210.db2.gz CNLSPZFDZYZOOL-UHFFFAOYSA-N 1 3 327.476 2.930 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001480612712 1335951348 /nfs/dbraw/zinc/95/13/48/1335951348.db2.gz MNGUARNTZSRCAO-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO CC[C@@H](CC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001361702625 1336282629 /nfs/dbraw/zinc/28/26/29/1336282629.db2.gz PXLMPMPUMXWWIQ-ZDUSSCGKSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935462 1336425394 /nfs/dbraw/zinc/42/53/94/1336425394.db2.gz FVPLQHMZBSSFON-OALUTQOASA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935462 1336425397 /nfs/dbraw/zinc/42/53/97/1336425397.db2.gz FVPLQHMZBSSFON-OALUTQOASA-N 1 3 331.504 2.834 20 0 EFADHO CN(CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001361953606 1336435293 /nfs/dbraw/zinc/43/52/93/1336435293.db2.gz ZPCSBFQLRSLMLX-IBGZPJMESA-N 1 3 345.531 2.945 20 0 EFADHO CN(CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001361953606 1336435295 /nfs/dbraw/zinc/43/52/95/1336435295.db2.gz ZPCSBFQLRSLMLX-IBGZPJMESA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001362539644 1336649621 /nfs/dbraw/zinc/64/96/21/1336649621.db2.gz GWOANXGXLZSHPC-PKOBYXMFSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001362539644 1336649624 /nfs/dbraw/zinc/64/96/24/1336649624.db2.gz GWOANXGXLZSHPC-PKOBYXMFSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632693 1336683491 /nfs/dbraw/zinc/68/34/91/1336683491.db2.gz XBEVFHYBCUVCMO-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632693 1336683493 /nfs/dbraw/zinc/68/34/93/1336683493.db2.gz XBEVFHYBCUVCMO-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC001362698684 1336708544 /nfs/dbraw/zinc/70/85/44/1336708544.db2.gz XDWAXVMEHPOZGS-WTGUMLROSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC001362698684 1336708545 /nfs/dbraw/zinc/70/85/45/1336708545.db2.gz XDWAXVMEHPOZGS-WTGUMLROSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)c(CN(C)C)c1 ZINC001363114790 1336788639 /nfs/dbraw/zinc/78/86/39/1336788639.db2.gz YENTYXMYWYRBAJ-INIZCTEOSA-N 1 3 338.455 2.917 20 0 EFADHO COc1ccc(CN[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Cl)c1 ZINC001363861534 1337087930 /nfs/dbraw/zinc/08/79/30/1337087930.db2.gz DSNNBVGAMUUBAA-HNNXBMFYSA-N 1 3 337.895 2.607 20 0 EFADHO COc1ccc(CN[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)c1 ZINC001363861534 1337087932 /nfs/dbraw/zinc/08/79/32/1337087932.db2.gz DSNNBVGAMUUBAA-HNNXBMFYSA-N 1 3 337.895 2.607 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001364199625 1337180975 /nfs/dbraw/zinc/18/09/75/1337180975.db2.gz DTFKMUUXCQGCHU-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219152 1337181857 /nfs/dbraw/zinc/18/18/57/1337181857.db2.gz BHMHGKUASIGDLC-PXNSSMCTSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219152 1337181858 /nfs/dbraw/zinc/18/18/58/1337181858.db2.gz BHMHGKUASIGDLC-PXNSSMCTSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219164 1337182303 /nfs/dbraw/zinc/18/23/03/1337182303.db2.gz BHMHGKUASIGDLC-YLJYHZDGSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219164 1337182305 /nfs/dbraw/zinc/18/23/05/1337182305.db2.gz BHMHGKUASIGDLC-YLJYHZDGSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3C)CC2)C1 ZINC001364590373 1337194090 /nfs/dbraw/zinc/19/40/90/1337194090.db2.gz YZQKWOUYDRROKA-GOSISDBHSA-N 1 3 343.515 2.921 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001366009879 1337319374 /nfs/dbraw/zinc/31/93/74/1337319374.db2.gz SNCFFLKNVXYIRN-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001366015003 1337324203 /nfs/dbraw/zinc/32/42/03/1337324203.db2.gz SWRWZRGVCSXVBG-IBGZPJMESA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)N(C)C ZINC001366057844 1337351696 /nfs/dbraw/zinc/35/16/96/1337351696.db2.gz GHRCWJDOULMNTM-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1sccc1Cl)C1CC1)N(C)C ZINC001366066095 1337359254 /nfs/dbraw/zinc/35/92/54/1337359254.db2.gz QFLCBRPLEGSOAM-KGLIPLIRSA-N 1 3 343.924 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001366098844 1337378833 /nfs/dbraw/zinc/37/88/33/1337378833.db2.gz NESJSXALUCDSAD-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)N(C)C ZINC001366105094 1337381751 /nfs/dbraw/zinc/38/17/51/1337381751.db2.gz QDDYJLJXKXLMOR-SLXDBMQSSA-N 1 3 349.906 2.884 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1)C1CCC1 ZINC001366112499 1337384190 /nfs/dbraw/zinc/38/41/90/1337384190.db2.gz HXDPAQDULOBYHD-HAQNSBGRSA-N 1 3 341.908 2.623 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001366114128 1337384801 /nfs/dbraw/zinc/38/48/01/1337384801.db2.gz ASFCVEPWGQGRFB-PLNCSYRRSA-N 1 3 339.430 2.603 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)N(C)C ZINC001366120125 1337387567 /nfs/dbraw/zinc/38/75/67/1337387567.db2.gz VECXUUFQBJCEMO-FZGCCYDFSA-N 1 3 349.906 2.930 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001366127241 1337391064 /nfs/dbraw/zinc/39/10/64/1337391064.db2.gz QERQIULSQKDGAL-ZOBUZTSGSA-N 1 3 329.444 2.510 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001366137086 1337396775 /nfs/dbraw/zinc/39/67/75/1337396775.db2.gz NGPAFPZRTPCHNO-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001366137086 1337396776 /nfs/dbraw/zinc/39/67/76/1337396776.db2.gz NGPAFPZRTPCHNO-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001366219194 1337453308 /nfs/dbraw/zinc/45/33/08/1337453308.db2.gz LNJXVNJPXGKNEQ-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001366221098 1337454441 /nfs/dbraw/zinc/45/44/41/1337454441.db2.gz RCBSXYLJIPUNQC-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO COc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001366274832 1337486163 /nfs/dbraw/zinc/48/61/63/1337486163.db2.gz HSLWVAOXUKZBSR-INIZCTEOSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001366288147 1337493151 /nfs/dbraw/zinc/49/31/51/1337493151.db2.gz OLCBBEWSOQDIFM-CHWSQXEVSA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001366326142 1337513447 /nfs/dbraw/zinc/51/34/47/1337513447.db2.gz OWCWFDZZKGZPHW-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCc1cc(Cl)cc(Cl)c1 ZINC001366327192 1337514478 /nfs/dbraw/zinc/51/44/78/1337514478.db2.gz OATPLILBAXCKMK-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001366331752 1337517282 /nfs/dbraw/zinc/51/72/82/1337517282.db2.gz IBJATLVJGKBQPR-CYBMUJFWSA-N 1 3 341.446 2.537 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001366344765 1337524330 /nfs/dbraw/zinc/52/43/30/1337524330.db2.gz IDSNKFNVCIUTLA-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001366344760 1337524497 /nfs/dbraw/zinc/52/44/97/1337524497.db2.gz IDSNKFNVCIUTLA-KSSFIOAISA-N 1 3 335.467 2.639 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001366347860 1337526162 /nfs/dbraw/zinc/52/61/62/1337526162.db2.gz RZIRQJTYMQXUKP-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001366425980 1337575936 /nfs/dbraw/zinc/57/59/36/1337575936.db2.gz IBGBXWCLVZQXEV-RBUKOAKNSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001366464062 1337607879 /nfs/dbraw/zinc/60/78/79/1337607879.db2.gz MYGSQUACYJEVNV-ZDUSSCGKSA-N 1 3 337.430 2.688 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001366470841 1337614339 /nfs/dbraw/zinc/61/43/39/1337614339.db2.gz HQSULJLKPPZZKX-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001366470833 1337614362 /nfs/dbraw/zinc/61/43/62/1337614362.db2.gz HQSULJLKPPZZKX-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001366481933 1337623485 /nfs/dbraw/zinc/62/34/85/1337623485.db2.gz BWBDIIQIWRDKMP-RHSMWYFYSA-N 1 3 339.911 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001366504633 1337646230 /nfs/dbraw/zinc/64/62/30/1337646230.db2.gz GJYYBMGFJWQCKS-CXAGYDPISA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001366510386 1337651247 /nfs/dbraw/zinc/65/12/47/1337651247.db2.gz OEMHJCUTZSYRET-LRDDRELGSA-N 1 3 343.874 2.804 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001366511380 1337651687 /nfs/dbraw/zinc/65/16/87/1337651687.db2.gz PWAKENZHJLMWQR-HKUYNNGSSA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001366514243 1337655675 /nfs/dbraw/zinc/65/56/75/1337655675.db2.gz YHGHEYDZHYALQU-QFBILLFUSA-N 1 3 331.504 2.890 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN(C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001366537810 1337672344 /nfs/dbraw/zinc/67/23/44/1337672344.db2.gz AENDCJGXTAPSOR-FQEVSTJZSA-N 1 3 341.499 2.974 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001366569803 1337705580 /nfs/dbraw/zinc/70/55/80/1337705580.db2.gz HFNKCCCUFBNBDN-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001366569803 1337705586 /nfs/dbraw/zinc/70/55/86/1337705586.db2.gz HFNKCCCUFBNBDN-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cc(F)ccc1C ZINC001366618083 1337757331 /nfs/dbraw/zinc/75/73/31/1337757331.db2.gz VTIROIRNUJMJCE-SFHVURJKSA-N 1 3 337.483 2.658 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC(C)(C)CC1 ZINC001366639580 1337786057 /nfs/dbraw/zinc/78/60/57/1337786057.db2.gz FBCMJYDXNWFHKN-UHFFFAOYSA-N 1 3 334.508 2.915 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC1CCC(C)(C)CC1 ZINC001366639580 1337786065 /nfs/dbraw/zinc/78/60/65/1337786065.db2.gz FBCMJYDXNWFHKN-UHFFFAOYSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001366652884 1337800993 /nfs/dbraw/zinc/80/09/93/1337800993.db2.gz PQBPTMREKCWEKR-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001366652884 1337800995 /nfs/dbraw/zinc/80/09/95/1337800995.db2.gz PQBPTMREKCWEKR-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001366652873 1337801982 /nfs/dbraw/zinc/80/19/82/1337801982.db2.gz PQBPTMREKCWEKR-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001366652873 1337801987 /nfs/dbraw/zinc/80/19/87/1337801987.db2.gz PQBPTMREKCWEKR-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1)N(C)C ZINC001366750784 1337966124 /nfs/dbraw/zinc/96/61/24/1337966124.db2.gz IEEKFYFELSSSBO-VQIMIIECSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+]([C@H](C)c1ccccc1)C1CC1)N(C)C ZINC001366750784 1337966128 /nfs/dbraw/zinc/96/61/28/1337966128.db2.gz IEEKFYFELSSSBO-VQIMIIECSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001366757003 1337975375 /nfs/dbraw/zinc/97/53/75/1337975375.db2.gz LVWXEDQHAPHPAX-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001366757003 1337975376 /nfs/dbraw/zinc/97/53/76/1337975376.db2.gz LVWXEDQHAPHPAX-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001366769668 1337990086 /nfs/dbraw/zinc/99/00/86/1337990086.db2.gz LQALOSVVUXALFM-IIAWOOMASA-N 1 3 337.895 2.789 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001366769668 1337990087 /nfs/dbraw/zinc/99/00/87/1337990087.db2.gz LQALOSVVUXALFM-IIAWOOMASA-N 1 3 337.895 2.789 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001366771876 1337991233 /nfs/dbraw/zinc/99/12/33/1337991233.db2.gz XZBFIJQZWFAWLV-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001366771876 1337991236 /nfs/dbraw/zinc/99/12/36/1337991236.db2.gz XZBFIJQZWFAWLV-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001366771872 1337991306 /nfs/dbraw/zinc/99/13/06/1337991306.db2.gz XZBFIJQZWFAWLV-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001366771872 1337991309 /nfs/dbraw/zinc/99/13/09/1337991309.db2.gz XZBFIJQZWFAWLV-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)ccc1C ZINC001366800656 1338021749 /nfs/dbraw/zinc/02/17/49/1338021749.db2.gz QKFVJVIFFJOXIJ-BGYRXZFFSA-N 1 3 343.515 2.820 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C)ccc1C ZINC001366800656 1338021755 /nfs/dbraw/zinc/02/17/55/1338021755.db2.gz QKFVJVIFFJOXIJ-BGYRXZFFSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366850313 1338117133 /nfs/dbraw/zinc/11/71/33/1338117133.db2.gz HBEKWTRWBROHAG-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366850313 1338117138 /nfs/dbraw/zinc/11/71/38/1338117138.db2.gz HBEKWTRWBROHAG-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@H+](C)C/C=C/Cl)CC2)CC1 ZINC001366881681 1338160203 /nfs/dbraw/zinc/16/02/03/1338160203.db2.gz SLRANLBVXMRRQM-FPYGCLRLSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[N@@H+](C)C/C=C/Cl)CC2)CC1 ZINC001366881681 1338160207 /nfs/dbraw/zinc/16/02/07/1338160207.db2.gz SLRANLBVXMRRQM-FPYGCLRLSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366886828 1338168524 /nfs/dbraw/zinc/16/85/24/1338168524.db2.gz QPYJXEMIAIMILL-BZSNNMDCSA-N 1 3 325.541 2.835 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001367097381 1338383754 /nfs/dbraw/zinc/38/37/54/1338383754.db2.gz HOBYTNRSTCDRFH-MRXNPFEDSA-N 1 3 343.471 2.902 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001367135353 1338426430 /nfs/dbraw/zinc/42/64/30/1338426430.db2.gz RXFWMMDZPQFHMC-BBRMVZONSA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2C)CCCC1)N(C)C ZINC001367161562 1338459969 /nfs/dbraw/zinc/45/99/69/1338459969.db2.gz XSHLHANVTVVGAP-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1)CC(C)(C)C ZINC001367202074 1338509546 /nfs/dbraw/zinc/50/95/46/1338509546.db2.gz KWOLMEYJAUZONL-IYARVYRRSA-N 1 3 346.519 2.577 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001367206202 1338514729 /nfs/dbraw/zinc/51/47/29/1338514729.db2.gz BNWCOHLURSIVLX-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO O=C(NCCC1CCN(C/C=C\Cl)CC1)C12CCC[NH+]1CCC2 ZINC001367210057 1338518999 /nfs/dbraw/zinc/51/89/99/1338518999.db2.gz RCENFQMDBSFRSX-OQFOIZHKSA-N 1 3 339.911 2.586 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001367260580 1338560736 /nfs/dbraw/zinc/56/07/36/1338560736.db2.gz MBEPJZQJSWEBST-HNAYVOBHSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001367260584 1338560823 /nfs/dbraw/zinc/56/08/23/1338560823.db2.gz MBEPJZQJSWEBST-KXBFYZLASA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001367261838 1338561200 /nfs/dbraw/zinc/56/12/00/1338561200.db2.gz OURCBFYEWOVCCV-DOTOQJQBSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001367387177 1338683616 /nfs/dbraw/zinc/68/36/16/1338683616.db2.gz STPIKUSAJJHOIP-CZUORRHYSA-N 1 3 325.522 2.579 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC001367439151 1338742129 /nfs/dbraw/zinc/74/21/29/1338742129.db2.gz IWRJECQWKFSDEN-POQYLXETSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001367453098 1338755291 /nfs/dbraw/zinc/75/52/91/1338755291.db2.gz QTTRBVQRFZCVJA-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001367475640 1338775305 /nfs/dbraw/zinc/77/53/05/1338775305.db2.gz UYJCOMMIDHIMHG-AEFFLSMTSA-N 1 3 331.504 2.962 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC(F)(F)CC1)C(C)C)N(C)C ZINC001367488296 1338788712 /nfs/dbraw/zinc/78/87/12/1338788712.db2.gz GZTYELGWXFEVMS-HOTGVXAUSA-N 1 3 347.494 2.883 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001367509265 1338806921 /nfs/dbraw/zinc/80/69/21/1338806921.db2.gz FVERLCQCADJHFP-ZWKOTPCHSA-N 1 3 349.906 2.812 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001367509265 1338806926 /nfs/dbraw/zinc/80/69/26/1338806926.db2.gz FVERLCQCADJHFP-ZWKOTPCHSA-N 1 3 349.906 2.812 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525847 1338826200 /nfs/dbraw/zinc/82/62/00/1338826200.db2.gz CUFVXGMERIERAK-WMLDXEAASA-N 1 3 337.895 2.885 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525847 1338826203 /nfs/dbraw/zinc/82/62/03/1338826203.db2.gz CUFVXGMERIERAK-WMLDXEAASA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525846 1338826835 /nfs/dbraw/zinc/82/68/35/1338826835.db2.gz CUFVXGMERIERAK-RHSMWYFYSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525846 1338826838 /nfs/dbraw/zinc/82/68/38/1338826838.db2.gz CUFVXGMERIERAK-RHSMWYFYSA-N 1 3 337.895 2.885 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001367530203 1338831301 /nfs/dbraw/zinc/83/13/01/1338831301.db2.gz AGIRCUOEILPZHI-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2F)C(=O)CCC[NH+](C)C ZINC001367530089 1338831489 /nfs/dbraw/zinc/83/14/89/1338831489.db2.gz BSEBNRULCURWTB-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367533602 1338835791 /nfs/dbraw/zinc/83/57/91/1338835791.db2.gz KRUPHSWKPFLHQD-IBGZPJMESA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccccc1 ZINC001367533602 1338835796 /nfs/dbraw/zinc/83/57/96/1338835796.db2.gz KRUPHSWKPFLHQD-IBGZPJMESA-N 1 3 331.504 2.840 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367534255 1338837178 /nfs/dbraw/zinc/83/71/78/1338837178.db2.gz KQZZPZRZRINAFK-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001367534255 1338837180 /nfs/dbraw/zinc/83/71/80/1338837180.db2.gz KQZZPZRZRINAFK-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCCCC1)N(C)C ZINC001367547816 1338856702 /nfs/dbraw/zinc/85/67/02/1338856702.db2.gz OLIDTJIYEVENBW-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001367547816 1338856713 /nfs/dbraw/zinc/85/67/13/1338856713.db2.gz OLIDTJIYEVENBW-GOSISDBHSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001367644351 1338899285 /nfs/dbraw/zinc/89/92/85/1338899285.db2.gz LHAMDHIJBBMGTE-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001367648206 1338903351 /nfs/dbraw/zinc/90/33/51/1338903351.db2.gz OOELITYAEBCHKX-SJKOYZFVSA-N 1 3 344.434 2.572 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001367648178 1338903641 /nfs/dbraw/zinc/90/36/41/1338903641.db2.gz OKCWNXISSWOZGG-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367673995 1338919679 /nfs/dbraw/zinc/91/96/79/1338919679.db2.gz KJODIEQYQOIFRJ-MRXNPFEDSA-N 1 3 347.503 2.552 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367699326 1338938554 /nfs/dbraw/zinc/93/85/54/1338938554.db2.gz YXKQFYXZLZZSMU-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367699330 1338938801 /nfs/dbraw/zinc/93/88/01/1338938801.db2.gz YXKQFYXZLZZSMU-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001367700069 1338939894 /nfs/dbraw/zinc/93/98/94/1338939894.db2.gz SDVWJBVASFJPOR-QAPCUYQASA-N 1 3 333.520 2.919 20 0 EFADHO COc1cccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)N2CCCCC2)c1 ZINC001367734737 1338966572 /nfs/dbraw/zinc/96/65/72/1338966572.db2.gz OYZQWKNJPQPXTR-INIZCTEOSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001367758723 1338985222 /nfs/dbraw/zinc/98/52/22/1338985222.db2.gz BUAKKTLDOBCPOA-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001367775836 1338999986 /nfs/dbraw/zinc/99/99/86/1338999986.db2.gz IBCIZTGDLNMMFR-JKSUJKDBSA-N 1 3 335.467 2.857 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803884 1339023848 /nfs/dbraw/zinc/02/38/48/1339023848.db2.gz MHNICSKMPRZDTK-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803884 1339023850 /nfs/dbraw/zinc/02/38/50/1339023850.db2.gz MHNICSKMPRZDTK-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367809909 1339028342 /nfs/dbraw/zinc/02/83/42/1339028342.db2.gz YQDFVXYTVDDRQA-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367809909 1339028345 /nfs/dbraw/zinc/02/83/45/1339028345.db2.gz YQDFVXYTVDDRQA-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367821313 1339038037 /nfs/dbraw/zinc/03/80/37/1339038037.db2.gz KTUAJHYDHGQDNY-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001367849886 1339066074 /nfs/dbraw/zinc/06/60/74/1339066074.db2.gz YMQAEAFILNKJDP-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001367849886 1339066077 /nfs/dbraw/zinc/06/60/77/1339066077.db2.gz YMQAEAFILNKJDP-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC(=O)N[C@@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1)C1CCC1 ZINC001367899776 1339094231 /nfs/dbraw/zinc/09/42/31/1339094231.db2.gz NINGUFZUGXUUFJ-SFHVURJKSA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986717 1339145433 /nfs/dbraw/zinc/14/54/33/1339145433.db2.gz SXJKDGDTWQOAGK-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986717 1339145435 /nfs/dbraw/zinc/14/54/35/1339145435.db2.gz SXJKDGDTWQOAGK-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986734 1339145564 /nfs/dbraw/zinc/14/55/64/1339145564.db2.gz SXJKDGDTWQOAGK-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986734 1339145566 /nfs/dbraw/zinc/14/55/66/1339145566.db2.gz SXJKDGDTWQOAGK-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CCc1ccc(CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001368002561 1339152430 /nfs/dbraw/zinc/15/24/30/1339152430.db2.gz JXNQZVLWBKQPJI-UHFFFAOYSA-N 1 3 343.515 2.514 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)cc1C ZINC001368003810 1339153102 /nfs/dbraw/zinc/15/31/02/1339153102.db2.gz QSCCVQRIGORMGW-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001368007408 1339154924 /nfs/dbraw/zinc/15/49/24/1339154924.db2.gz MXNFGTXCDCWUHL-MZEUMTGBSA-N 1 3 329.488 2.524 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001368007425 1339155060 /nfs/dbraw/zinc/15/50/60/1339155060.db2.gz MXNFGTXCDCWUHL-YFWYWMRJSA-N 1 3 329.488 2.524 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc3ccccc3c2)CC1)N(C)C ZINC001368019441 1339160953 /nfs/dbraw/zinc/16/09/53/1339160953.db2.gz MRLDWDGBCDXZOC-IBGZPJMESA-N 1 3 339.483 2.918 20 0 EFADHO CC1CC(C[NH2+]C2(CNC(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001368042908 1339172344 /nfs/dbraw/zinc/17/23/44/1339172344.db2.gz NGQKOPUEZNWEBD-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001368060452 1339182238 /nfs/dbraw/zinc/18/22/38/1339182238.db2.gz WXCQQBIJRQWORJ-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001368060452 1339182240 /nfs/dbraw/zinc/18/22/40/1339182240.db2.gz WXCQQBIJRQWORJ-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CC1(NC(=O)CC[NH+]2CCCCC2)CCN(CCC(F)(F)F)CC1 ZINC001368130506 1339207650 /nfs/dbraw/zinc/20/76/50/1339207650.db2.gz WGCKOBBLFZTTOE-UHFFFAOYSA-N 1 3 349.441 2.786 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C1CCCC1)N(C)C ZINC001368145747 1339218587 /nfs/dbraw/zinc/21/85/87/1339218587.db2.gz PDOVEJZCGAUFQO-HOTGVXAUSA-N 1 3 345.478 2.637 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001368178109 1339238043 /nfs/dbraw/zinc/23/80/43/1339238043.db2.gz MCGFDRVOUFRVJB-HXUWFJFHSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001368178109 1339238046 /nfs/dbraw/zinc/23/80/46/1339238046.db2.gz MCGFDRVOUFRVJB-HXUWFJFHSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001368188415 1339244387 /nfs/dbraw/zinc/24/43/87/1339244387.db2.gz FQCORWMOENDDFF-FPOVZHCZSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001368192138 1339246851 /nfs/dbraw/zinc/24/68/51/1339246851.db2.gz GNSWWZYDLALEOD-HXUWFJFHSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001368193432 1339247179 /nfs/dbraw/zinc/24/71/79/1339247179.db2.gz DKTNKVLXXCGEOU-TZIWHRDSSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001368231461 1339276460 /nfs/dbraw/zinc/27/64/60/1339276460.db2.gz SJPQRKBKBXCMHI-CTNGQTDRSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001368231461 1339276462 /nfs/dbraw/zinc/27/64/62/1339276462.db2.gz SJPQRKBKBXCMHI-CTNGQTDRSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001368312156 1339295385 /nfs/dbraw/zinc/29/53/85/1339295385.db2.gz JUKOMDMQJQUFQS-WMZOPIPTSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCCN1C)c1ccccc1 ZINC001368312148 1339295455 /nfs/dbraw/zinc/29/54/55/1339295455.db2.gz JUKOMDMQJQUFQS-AEFFLSMTSA-N 1 3 346.519 2.899 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001368333791 1339302486 /nfs/dbraw/zinc/30/24/86/1339302486.db2.gz DXDWKPCBCCRWCD-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001368428454 1339363200 /nfs/dbraw/zinc/36/32/00/1339363200.db2.gz YDWVMMGNIGVTQG-JKSUJKDBSA-N 1 3 326.444 2.542 20 0 EFADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001368428443 1339363661 /nfs/dbraw/zinc/36/36/61/1339363661.db2.gz YDWVMMGNIGVTQG-CVEARBPZSA-N 1 3 326.444 2.542 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCC1)N(C)C ZINC001368481937 1339418581 /nfs/dbraw/zinc/41/85/81/1339418581.db2.gz BFOQMWRNOPAISL-XSZJWBAASA-N 1 3 329.488 2.669 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2cccs2)CCC1)N(C)C ZINC001368492978 1339430255 /nfs/dbraw/zinc/43/02/55/1339430255.db2.gz KOHLQJIZZQVOQZ-MRXNPFEDSA-N 1 3 337.533 2.505 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001368497002 1339434826 /nfs/dbraw/zinc/43/48/26/1339434826.db2.gz QXYYVZORQGONQM-HRCADAONSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001368514049 1339448326 /nfs/dbraw/zinc/44/83/26/1339448326.db2.gz NSOWTDFEJBKTNQ-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001368514049 1339448330 /nfs/dbraw/zinc/44/83/30/1339448330.db2.gz NSOWTDFEJBKTNQ-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001368521971 1339457681 /nfs/dbraw/zinc/45/76/81/1339457681.db2.gz KWFXWOKOEHZXSI-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001368521971 1339457685 /nfs/dbraw/zinc/45/76/85/1339457685.db2.gz KWFXWOKOEHZXSI-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368523948 1339461258 /nfs/dbraw/zinc/46/12/58/1339461258.db2.gz NQYSODWNDFUKRU-ZAWLATJESA-N 1 3 331.504 2.881 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001368527081 1339461928 /nfs/dbraw/zinc/46/19/28/1339461928.db2.gz KRVLHXLCEFJTAM-HSALFYBXSA-N 1 3 345.531 2.820 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001368529142 1339466124 /nfs/dbraw/zinc/46/61/24/1339466124.db2.gz SYKGYNQJGMUZIE-NSHGMRRFSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001368565073 1339513377 /nfs/dbraw/zinc/51/33/77/1339513377.db2.gz BZGSKRCNAMUYNM-RWQQGDIJSA-N 1 3 331.504 2.818 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001368662046 1339573975 /nfs/dbraw/zinc/57/39/75/1339573975.db2.gz AOMSBNRZQMHDDJ-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCc2ccccc2CC)C1 ZINC001368665845 1339577140 /nfs/dbraw/zinc/57/71/40/1339577140.db2.gz KCEPAZNZLKBFGL-XLIONFOSSA-N 1 3 345.531 2.570 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccccc2CC)C1 ZINC001368665840 1339577220 /nfs/dbraw/zinc/57/72/20/1339577220.db2.gz KCEPAZNZLKBFGL-FXAWDEMLSA-N 1 3 345.531 2.570 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001368678166 1339592501 /nfs/dbraw/zinc/59/25/01/1339592501.db2.gz YRAPSAKTQNBWAI-OAHLLOKOSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001368678166 1339592507 /nfs/dbraw/zinc/59/25/07/1339592507.db2.gz YRAPSAKTQNBWAI-OAHLLOKOSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001368705040 1339624172 /nfs/dbraw/zinc/62/41/72/1339624172.db2.gz KPTBYQYTBFTXRS-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001368705040 1339624176 /nfs/dbraw/zinc/62/41/76/1339624176.db2.gz KPTBYQYTBFTXRS-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cc(F)ccc1Cl ZINC001368708276 1339627829 /nfs/dbraw/zinc/62/78/29/1339627829.db2.gz JAMJSZBDKVTFGS-BLLLJJGKSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001368714770 1339634993 /nfs/dbraw/zinc/63/49/93/1339634993.db2.gz YGQJFBDLXCDDMZ-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001368714770 1339634999 /nfs/dbraw/zinc/63/49/99/1339634999.db2.gz YGQJFBDLXCDDMZ-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001368735203 1339655992 /nfs/dbraw/zinc/65/59/92/1339655992.db2.gz ZJTAWEWIUNCCPG-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001368735203 1339655995 /nfs/dbraw/zinc/65/59/95/1339655995.db2.gz ZJTAWEWIUNCCPG-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001368735206 1339656483 /nfs/dbraw/zinc/65/64/83/1339656483.db2.gz ZJTAWEWIUNCCPG-QRVBRYPASA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001368735206 1339656486 /nfs/dbraw/zinc/65/64/86/1339656486.db2.gz ZJTAWEWIUNCCPG-QRVBRYPASA-N 1 3 349.563 2.933 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001368740794 1339663789 /nfs/dbraw/zinc/66/37/89/1339663789.db2.gz FPTVIJSXSAHCJO-XJKSGUPXSA-N 1 3 325.522 2.627 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001368745846 1339669738 /nfs/dbraw/zinc/66/97/38/1339669738.db2.gz YREZGOWRGNBAIK-LBPRGKRZSA-N 1 3 334.851 2.599 20 0 EFADHO CC[N@H+](CCC(F)(F)F)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368776156 1339701145 /nfs/dbraw/zinc/70/11/45/1339701145.db2.gz HVVMPXPXIZGGGW-HNNXBMFYSA-N 1 3 349.441 2.594 20 0 EFADHO CC[N@@H+](CCC(F)(F)F)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001368776156 1339701147 /nfs/dbraw/zinc/70/11/47/1339701147.db2.gz HVVMPXPXIZGGGW-HNNXBMFYSA-N 1 3 349.441 2.594 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368790954 1339720565 /nfs/dbraw/zinc/72/05/65/1339720565.db2.gz BPGQYVKKSQWFFR-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CC2CCCCC2)C1 ZINC001368920317 1339865741 /nfs/dbraw/zinc/86/57/41/1339865741.db2.gz WRXSGXDZXUNCHL-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001368949013 1339896812 /nfs/dbraw/zinc/89/68/12/1339896812.db2.gz APGIRUUFYBQBFP-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001368949013 1339896815 /nfs/dbraw/zinc/89/68/15/1339896815.db2.gz APGIRUUFYBQBFP-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001369097945 1339913557 /nfs/dbraw/zinc/91/35/57/1339913557.db2.gz ZSAJLYXAHJYJFE-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370545943 1340127366 /nfs/dbraw/zinc/12/73/66/1340127366.db2.gz IEAOZJWBEORQFT-YWTNHNAXSA-N 1 3 331.504 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC001370594528 1340154471 /nfs/dbraw/zinc/15/44/71/1340154471.db2.gz QHORRHSGYPPUMP-AYHJJNSGSA-N 1 3 347.478 2.779 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC001370594528 1340154474 /nfs/dbraw/zinc/15/44/74/1340154474.db2.gz QHORRHSGYPPUMP-AYHJJNSGSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001370967082 1340312395 /nfs/dbraw/zinc/31/23/95/1340312395.db2.gz CXMZDFNSFXJQFR-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001370967082 1340312398 /nfs/dbraw/zinc/31/23/98/1340312398.db2.gz CXMZDFNSFXJQFR-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001370977847 1340320203 /nfs/dbraw/zinc/32/02/03/1340320203.db2.gz QCZFMXWSTFCJIZ-IRXDYDNUSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001370977847 1340320204 /nfs/dbraw/zinc/32/02/04/1340320204.db2.gz QCZFMXWSTFCJIZ-IRXDYDNUSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]CCc3ccccc3)CC2)CCC1 ZINC001371074216 1340346570 /nfs/dbraw/zinc/34/65/70/1340346570.db2.gz VISBOUIUFJWNHX-UHFFFAOYSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001371214368 1340421794 /nfs/dbraw/zinc/42/17/94/1340421794.db2.gz UOIAJBGTIIYCMO-UGSOOPFHSA-N 1 3 349.906 2.906 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001371214362 1340421809 /nfs/dbraw/zinc/42/18/09/1340421809.db2.gz UOIAJBGTIIYCMO-ACJLOTCBSA-N 1 3 349.906 2.906 20 0 EFADHO Cc1cncc(CN[C@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001371312807 1340490857 /nfs/dbraw/zinc/49/08/57/1340490857.db2.gz QTIWRNDXUMYJSL-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(CN[C@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001371312807 1340490861 /nfs/dbraw/zinc/49/08/61/1340490861.db2.gz QTIWRNDXUMYJSL-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001371340119 1340509901 /nfs/dbraw/zinc/50/99/01/1340509901.db2.gz BDAWGLVPUZNJRY-CZUORRHYSA-N 1 3 341.446 2.805 20 0 EFADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001371342555 1340510910 /nfs/dbraw/zinc/51/09/10/1340510910.db2.gz GIVHCXFKOVQPHT-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001371426854 1340582910 /nfs/dbraw/zinc/58/29/10/1340582910.db2.gz KXOPCOMQSZHUBV-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001371428652 1340583904 /nfs/dbraw/zinc/58/39/04/1340583904.db2.gz MZAJEWRSBWGGGI-LRDDRELGSA-N 1 3 325.522 2.545 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001371428670 1340584165 /nfs/dbraw/zinc/58/41/65/1340584165.db2.gz MZAJEWRSBWGGGI-WBMJQRKESA-N 1 3 325.522 2.545 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001371626630 1340683379 /nfs/dbraw/zinc/68/33/79/1340683379.db2.gz DDCMRTPTZRATGL-ZWKOTPCHSA-N 1 3 346.519 2.577 20 0 EFADHO Cc1cccc(C)c1CN(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001372867024 1340854471 /nfs/dbraw/zinc/85/44/71/1340854471.db2.gz YUIPJHRYNZOKGZ-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001373203585 1340946727 /nfs/dbraw/zinc/94/67/27/1340946727.db2.gz YFWDGWXRLJAXNO-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001373203585 1340946728 /nfs/dbraw/zinc/94/67/28/1340946728.db2.gz YFWDGWXRLJAXNO-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCc2ccccc2F)C1)N(C)C ZINC001373242036 1340964377 /nfs/dbraw/zinc/96/43/77/1340964377.db2.gz YGVWNNXHJLWOEG-LPHOPBHVSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCc2ccccc2F)C1)N(C)C ZINC001373242036 1340964378 /nfs/dbraw/zinc/96/43/78/1340964378.db2.gz YGVWNNXHJLWOEG-LPHOPBHVSA-N 1 3 349.494 2.537 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001373243632 1340965356 /nfs/dbraw/zinc/96/53/56/1340965356.db2.gz GHUVTBHLQCIJRG-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001373243632 1340965358 /nfs/dbraw/zinc/96/53/58/1340965358.db2.gz GHUVTBHLQCIJRG-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001373285468 1340976434 /nfs/dbraw/zinc/97/64/34/1340976434.db2.gz BBJVSDCAIMHQAT-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001373285468 1340976435 /nfs/dbraw/zinc/97/64/35/1340976435.db2.gz BBJVSDCAIMHQAT-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2F)CC1 ZINC001373330242 1340993299 /nfs/dbraw/zinc/99/32/99/1340993299.db2.gz PJUKPNNHLSWQNW-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001373330242 1340993300 /nfs/dbraw/zinc/99/33/00/1340993300.db2.gz PJUKPNNHLSWQNW-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001373402209 1341013552 /nfs/dbraw/zinc/01/35/52/1341013552.db2.gz FLBBEPQBVCCOMI-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001373402209 1341013553 /nfs/dbraw/zinc/01/35/53/1341013553.db2.gz FLBBEPQBVCCOMI-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001373403740 1341013951 /nfs/dbraw/zinc/01/39/51/1341013951.db2.gz AAESXCRZHFHQCC-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@@H](C(=O)NCC1CN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001373538817 1341048009 /nfs/dbraw/zinc/04/80/09/1341048009.db2.gz UTRDVZNAJRDCLJ-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001373579088 1341059579 /nfs/dbraw/zinc/05/95/79/1341059579.db2.gz TXTBQIVHVXMTEA-FHWLQOOXSA-N 1 3 329.488 2.765 20 0 EFADHO CC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001373579088 1341059580 /nfs/dbraw/zinc/05/95/80/1341059580.db2.gz TXTBQIVHVXMTEA-FHWLQOOXSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001373639400 1341079375 /nfs/dbraw/zinc/07/93/75/1341079375.db2.gz LEDGMKXPTGAUBA-RTBURBONSA-N 1 3 349.494 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001373639400 1341079376 /nfs/dbraw/zinc/07/93/76/1341079376.db2.gz LEDGMKXPTGAUBA-RTBURBONSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c(C)s1 ZINC001373651557 1341084348 /nfs/dbraw/zinc/08/43/48/1341084348.db2.gz MHZSVEATGCCORG-GOSISDBHSA-N 1 3 349.544 2.931 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001373681006 1341097958 /nfs/dbraw/zinc/09/79/58/1341097958.db2.gz QOQFJKACMKKIFC-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001373795450 1341151106 /nfs/dbraw/zinc/15/11/06/1341151106.db2.gz FGLGILXZSJIWDJ-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001373819180 1341161500 /nfs/dbraw/zinc/16/15/00/1341161500.db2.gz SUYYXAGIZRDFTG-WMZOPIPTSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2)CC1)N(C)C ZINC001373914776 1341201374 /nfs/dbraw/zinc/20/13/74/1341201374.db2.gz JFZUDOSRADRSMZ-ZHALLVOQSA-N 1 3 347.503 2.552 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001373944760 1341232129 /nfs/dbraw/zinc/23/21/29/1341232129.db2.gz FOEUPCRKPVZLCO-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cs1 ZINC001374014101 1341302556 /nfs/dbraw/zinc/30/25/56/1341302556.db2.gz NPSNBZGHLNIUBQ-WMLDXEAASA-N 1 3 337.533 2.771 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1sccc1Cl ZINC001374068604 1341359246 /nfs/dbraw/zinc/35/92/46/1341359246.db2.gz AJQVTVUQHUTHRE-OLZOCXBDSA-N 1 3 343.924 2.585 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374080931 1341374868 /nfs/dbraw/zinc/37/48/68/1341374868.db2.gz JMKRKFVXNSVRLO-APWZRJJASA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1sccc1Cl ZINC001391715128 1355458796 /nfs/dbraw/zinc/45/87/96/1355458796.db2.gz CROYOCLDXVAVPF-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374102318 1341406866 /nfs/dbraw/zinc/40/68/66/1341406866.db2.gz ZCFXWRLRKIFZRB-CZUORRHYSA-N 1 3 325.884 2.522 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCC1)N(C)C ZINC001374172150 1341505832 /nfs/dbraw/zinc/50/58/32/1341505832.db2.gz MAPWJNNRCWLWSG-SFHVURJKSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CCCC1 ZINC001374178254 1341517870 /nfs/dbraw/zinc/51/78/70/1341517870.db2.gz SYZBFOCMZSZUPV-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](C[C@H](C)CC(C)C)C2)CC1)N(C)C ZINC001374188325 1341532703 /nfs/dbraw/zinc/53/27/03/1341532703.db2.gz ZHJQSYZFQOGYLL-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCCC1)N(C)C ZINC001392012100 1355713157 /nfs/dbraw/zinc/71/31/57/1355713157.db2.gz MAPWJNNRCWLWSG-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001374311556 1341699835 /nfs/dbraw/zinc/69/98/35/1341699835.db2.gz HMPASUDHEMHSLN-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001374318923 1341713851 /nfs/dbraw/zinc/71/38/51/1341713851.db2.gz FYOYRGYVSBIYCC-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001374380725 1341828822 /nfs/dbraw/zinc/82/88/22/1341828822.db2.gz DKRGMKAXEOIHCM-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]([NH2+]CCF)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001374392040 1341847188 /nfs/dbraw/zinc/84/71/88/1341847188.db2.gz JSGAQONKVCONIK-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001374404016 1341871628 /nfs/dbraw/zinc/87/16/28/1341871628.db2.gz RXDBUVQGXVKTEH-DHINHOHASA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001374404016 1341871631 /nfs/dbraw/zinc/87/16/31/1341871631.db2.gz RXDBUVQGXVKTEH-DHINHOHASA-N 1 3 329.916 2.640 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001392524590 1356098482 /nfs/dbraw/zinc/09/84/82/1356098482.db2.gz KISJYTJYXQNRBJ-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1C ZINC001392723524 1356280372 /nfs/dbraw/zinc/28/03/72/1356280372.db2.gz NRWWJDTUNUFUIK-DNVCBOLYSA-N 1 3 349.519 2.526 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2CNC/C(Cl)=C/Cl)CC1 ZINC001374575161 1342085602 /nfs/dbraw/zinc/08/56/02/1342085602.db2.gz RZQIWPCVRRPCHH-DJRMKIQDSA-N 1 3 348.318 2.522 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)C(=O)[C@H]1CCCN1C ZINC001374718751 1342135744 /nfs/dbraw/zinc/13/57/44/1342135744.db2.gz FRLWCKMZLMMUCL-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001374748847 1342150650 /nfs/dbraw/zinc/15/06/50/1342150650.db2.gz GUWUZKOMPKNPJT-GUYCJALGSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001374936671 1342252141 /nfs/dbraw/zinc/25/21/41/1342252141.db2.gz ZGFLLYYWKFIARN-KHYOSLBOSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H](C[N@H+](C)CC1CCC(F)(F)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001375058874 1342363128 /nfs/dbraw/zinc/36/31/28/1342363128.db2.gz ZCVRHIRRFUZCAM-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](C[N@@H+](C)CC1CCC(F)(F)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001375058874 1342363134 /nfs/dbraw/zinc/36/31/34/1342363134.db2.gz ZCVRHIRRFUZCAM-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001375173504 1342489670 /nfs/dbraw/zinc/48/96/70/1342489670.db2.gz DEWVRASQWZFNAH-AZUAARDMSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393380987 1356801139 /nfs/dbraw/zinc/80/11/39/1356801139.db2.gz GFUBOYXJCSAQQL-ODYMAQSMSA-N 1 3 329.916 2.543 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001375178806 1342494152 /nfs/dbraw/zinc/49/41/52/1342494152.db2.gz WRZUCXYGNZGTKU-IRXDYDNUSA-N 1 3 334.508 2.961 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001375230481 1342533470 /nfs/dbraw/zinc/53/34/70/1342533470.db2.gz QUDIQNRDBOPNAF-QGZVFWFLSA-N 1 3 335.517 2.525 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001375265391 1342570847 /nfs/dbraw/zinc/57/08/47/1342570847.db2.gz ATZGJLXJAVEJRV-VQTJNVASSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c(C)s1 ZINC001375531129 1342841147 /nfs/dbraw/zinc/84/11/47/1342841147.db2.gz PVKQQSDACOPQEE-MRXNPFEDSA-N 1 3 337.533 2.690 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001375769305 1342990027 /nfs/dbraw/zinc/99/00/27/1342990027.db2.gz XQLNKYDOTPQYCQ-GOSISDBHSA-N 1 3 335.467 2.579 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2Cl)C1 ZINC001375882451 1343128298 /nfs/dbraw/zinc/12/82/98/1343128298.db2.gz GGTWBYYYBCWTLB-MJGOQNOKSA-N 1 3 349.906 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccc(C)c2)C1 ZINC001375902718 1343149528 /nfs/dbraw/zinc/14/95/28/1343149528.db2.gz XAAVZOJPEIDWPD-FQEVSTJZSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001376022855 1343266793 /nfs/dbraw/zinc/26/67/93/1343266793.db2.gz ORZYHAIFXIQCBB-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376054189 1343287578 /nfs/dbraw/zinc/28/75/78/1343287578.db2.gz BZMQOHPYFVBVAX-FUHWJXTLSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376054194 1343288043 /nfs/dbraw/zinc/28/80/43/1343288043.db2.gz BZMQOHPYFVBVAX-SJLPKXTDSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001376223086 1343408433 /nfs/dbraw/zinc/40/84/33/1343408433.db2.gz ZWBITZMSMLKGSZ-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H](N[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001376245876 1343423859 /nfs/dbraw/zinc/42/38/59/1343423859.db2.gz VTFMXVZUCSLPGV-KUHUBIRLSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001376259775 1343434601 /nfs/dbraw/zinc/43/46/01/1343434601.db2.gz UWPKRDOAFXQQSC-SJORKVTESA-N 1 3 337.533 2.627 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH2+]CC2CCC2)C2CC2)c1 ZINC001376273101 1343444256 /nfs/dbraw/zinc/44/42/56/1343444256.db2.gz HNSWDFABPYBSTP-IBGZPJMESA-N 1 3 329.488 2.646 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2F)C1)N(C)C ZINC001376410021 1343565087 /nfs/dbraw/zinc/56/50/87/1343565087.db2.gz OLBOPYPYIJDXTH-GDLHICMESA-N 1 3 339.430 2.603 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001376416278 1343570577 /nfs/dbraw/zinc/57/05/77/1343570577.db2.gz KJRVATUMJHTQBJ-HDJSIYSDSA-N 1 3 348.318 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001376558803 1343675057 /nfs/dbraw/zinc/67/50/57/1343675057.db2.gz QLCAQHLLZPPNDA-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001376599981 1343712695 /nfs/dbraw/zinc/71/26/95/1343712695.db2.gz FEDHUIWTSOKZJF-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]Cc3cccc(F)c3)CC2)CCC1 ZINC001376661467 1343749167 /nfs/dbraw/zinc/74/91/67/1343749167.db2.gz HJHAFQWLHXFHSH-UHFFFAOYSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001376720281 1343782198 /nfs/dbraw/zinc/78/21/98/1343782198.db2.gz CLSXCYZWIMLMQO-MRXNPFEDSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001376736316 1343793277 /nfs/dbraw/zinc/79/32/77/1343793277.db2.gz GPFQJAZBCLHXMT-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CCC1)N(C)C ZINC001376810398 1343861784 /nfs/dbraw/zinc/86/17/84/1343861784.db2.gz QRGBVAOYEXWGLZ-GOSISDBHSA-N 1 3 331.504 2.506 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001376886138 1343921853 /nfs/dbraw/zinc/92/18/53/1343921853.db2.gz SPXZIBXVBLKTCR-MOPGFXCFSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1ccccc1 ZINC001393787163 1357156121 /nfs/dbraw/zinc/15/61/21/1357156121.db2.gz RAFTUZIEBWBVCN-IEBWSBKVSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1ccccc1 ZINC001393787163 1357156126 /nfs/dbraw/zinc/15/61/26/1357156126.db2.gz RAFTUZIEBWBVCN-IEBWSBKVSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1ccccc1 ZINC001393787155 1357156172 /nfs/dbraw/zinc/15/61/72/1357156172.db2.gz RAFTUZIEBWBVCN-HKUYNNGSSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1ccccc1 ZINC001393787155 1357156184 /nfs/dbraw/zinc/15/61/84/1357156184.db2.gz RAFTUZIEBWBVCN-HKUYNNGSSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376915971 1343955117 /nfs/dbraw/zinc/95/51/17/1343955117.db2.gz WVMJBQGTAJYQGE-HNNXBMFYSA-N 1 3 349.906 2.681 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CCc2ccccc2F)CCC1 ZINC001376944080 1343974254 /nfs/dbraw/zinc/97/42/54/1343974254.db2.gz VPXXMOFDROLFRR-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CCc2ccccc2F)CCC1 ZINC001376944080 1343974258 /nfs/dbraw/zinc/97/42/58/1343974258.db2.gz VPXXMOFDROLFRR-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001376945498 1343976877 /nfs/dbraw/zinc/97/68/77/1343976877.db2.gz KBQQKWFQKIFWNY-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001376945498 1343976878 /nfs/dbraw/zinc/97/68/78/1343976878.db2.gz KBQQKWFQKIFWNY-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001376951463 1343981661 /nfs/dbraw/zinc/98/16/61/1343981661.db2.gz COYIPYBNBWANBE-MAUKXSAKSA-N 1 3 326.444 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001376998857 1344041300 /nfs/dbraw/zinc/04/13/00/1344041300.db2.gz RSEVDKKZUKZGCX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001376998857 1344041306 /nfs/dbraw/zinc/04/13/06/1344041306.db2.gz RSEVDKKZUKZGCX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)c2)C1 ZINC001377000326 1344043909 /nfs/dbraw/zinc/04/39/09/1344043909.db2.gz UHUFXCUVXSGYFT-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC001377000326 1344043913 /nfs/dbraw/zinc/04/39/13/1344043913.db2.gz UHUFXCUVXSGYFT-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001377038275 1344084041 /nfs/dbraw/zinc/08/40/41/1344084041.db2.gz XDSONYXXDATQET-OAHLLOKOSA-N 1 3 335.467 2.603 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001377396667 1344158779 /nfs/dbraw/zinc/15/87/79/1344158779.db2.gz VPJRPAGDDALFGF-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(OC)c2)[C@H](C)C1 ZINC001377396667 1344158785 /nfs/dbraw/zinc/15/87/85/1344158785.db2.gz VPJRPAGDDALFGF-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)cc1F ZINC001377679383 1344310994 /nfs/dbraw/zinc/31/09/94/1344310994.db2.gz VBJVEEOIWVKMBF-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H]3CCCN3C)C2)cc1F ZINC001377679383 1344310995 /nfs/dbraw/zinc/31/09/95/1344310995.db2.gz VBJVEEOIWVKMBF-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001377727156 1344376518 /nfs/dbraw/zinc/37/65/18/1344376518.db2.gz YRGKPZYKDTWKFR-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001377727156 1344376528 /nfs/dbraw/zinc/37/65/28/1344376528.db2.gz YRGKPZYKDTWKFR-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001377756332 1344401953 /nfs/dbraw/zinc/40/19/53/1344401953.db2.gz BSSIYRXRXLOVDZ-NADMHLTPSA-N 1 3 341.927 2.785 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378117031 1344779043 /nfs/dbraw/zinc/77/90/43/1344779043.db2.gz UWDHTOXDTLDGQB-ZHALLVOQSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378117031 1344779045 /nfs/dbraw/zinc/77/90/45/1344779045.db2.gz UWDHTOXDTLDGQB-ZHALLVOQSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001378129900 1344792275 /nfs/dbraw/zinc/79/22/75/1344792275.db2.gz JCIZJLJRCXXYCX-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001378129900 1344792279 /nfs/dbraw/zinc/79/22/79/1344792279.db2.gz JCIZJLJRCXXYCX-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1Cl)N(C)C ZINC001378132295 1344794760 /nfs/dbraw/zinc/79/47/60/1344794760.db2.gz UOJBFGHAVGYPSY-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1Cl)N(C)C ZINC001378132295 1344794762 /nfs/dbraw/zinc/79/47/62/1344794762.db2.gz UOJBFGHAVGYPSY-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001378167114 1344835979 /nfs/dbraw/zinc/83/59/79/1344835979.db2.gz QYDCTTRPMBSREY-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001378182258 1344855052 /nfs/dbraw/zinc/85/50/52/1344855052.db2.gz YOQZHQWVNCGMGL-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001378182258 1344855057 /nfs/dbraw/zinc/85/50/57/1344855057.db2.gz YOQZHQWVNCGMGL-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001378182284 1344855529 /nfs/dbraw/zinc/85/55/29/1344855529.db2.gz YOQZHQWVNCGMGL-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2c1cccc2F ZINC001378182284 1344855532 /nfs/dbraw/zinc/85/55/32/1344855532.db2.gz YOQZHQWVNCGMGL-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1cccc(F)c1 ZINC001378234958 1344918928 /nfs/dbraw/zinc/91/89/28/1344918928.db2.gz QSVIMFFLADBTQX-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001378259406 1344937854 /nfs/dbraw/zinc/93/78/54/1344937854.db2.gz OAITZUNBBCVUKV-CVEARBPZSA-N 1 3 325.522 2.627 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001378300284 1344967958 /nfs/dbraw/zinc/96/79/58/1344967958.db2.gz LOVFGOXBIUPDMB-HKUYNNGSSA-N 1 3 333.520 2.936 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]Cc3cccc(F)c3)CCCC2)C1 ZINC001378361856 1345012784 /nfs/dbraw/zinc/01/27/84/1345012784.db2.gz FOCZBAJSEGRLIB-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCCC1CCN(C/C=C\Cl)CC1 ZINC001378491892 1345121614 /nfs/dbraw/zinc/12/16/14/1345121614.db2.gz DSJNYITUJHCNFQ-WTKPLQERSA-N 1 3 341.927 2.833 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCC2)CC1 ZINC001378496233 1345123716 /nfs/dbraw/zinc/12/37/16/1345123716.db2.gz OIKNMCAOSZMYRH-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001378509193 1345131774 /nfs/dbraw/zinc/13/17/74/1345131774.db2.gz ZPBBKRYRSXGXBA-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1sccc1Cl ZINC001378509193 1345131777 /nfs/dbraw/zinc/13/17/77/1345131777.db2.gz ZPBBKRYRSXGXBA-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001378532605 1345144986 /nfs/dbraw/zinc/14/49/86/1345144986.db2.gz PLBIXMBIBXNAQA-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001378608305 1345195645 /nfs/dbraw/zinc/19/56/45/1345195645.db2.gz CNLJPEWWLHDSJS-VQIMIIECSA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001378616787 1345200840 /nfs/dbraw/zinc/20/08/40/1345200840.db2.gz SBFLWQUXADIMLC-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001378621413 1345204367 /nfs/dbraw/zinc/20/43/67/1345204367.db2.gz GLZXAFMRCMIQOX-QWHCGFSZSA-N 1 3 332.423 2.503 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2F)N(C)C(=O)CN(C)C1CCC1 ZINC001378779501 1345309882 /nfs/dbraw/zinc/30/98/82/1345309882.db2.gz WVGRBOQKXYSJJM-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378779983 1345311143 /nfs/dbraw/zinc/31/11/43/1345311143.db2.gz YDUFBSVNMDRLKX-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001378785533 1345315396 /nfs/dbraw/zinc/31/53/96/1345315396.db2.gz FXYDOKHFQPWDQS-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO COc1ccc(C)cc1CNC[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001378785529 1345315662 /nfs/dbraw/zinc/31/56/62/1345315662.db2.gz FXYDOKHFQPWDQS-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001378815148 1345334658 /nfs/dbraw/zinc/33/46/58/1345334658.db2.gz SWANXGBERLKJNM-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+](CC)CC ZINC001378902002 1345410594 /nfs/dbraw/zinc/41/05/94/1345410594.db2.gz GROVYJYINGBAIS-YCABEKBOSA-N 1 3 329.916 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001378920481 1345426648 /nfs/dbraw/zinc/42/66/48/1345426648.db2.gz PPSYIDHVHAJHIH-KVZIAJEVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001378920481 1345426651 /nfs/dbraw/zinc/42/66/51/1345426651.db2.gz PPSYIDHVHAJHIH-KVZIAJEVSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC001378925534 1345430929 /nfs/dbraw/zinc/43/09/29/1345430929.db2.gz XCXBQUZIXMLNMY-HSWBZUAGSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001393881365 1357247597 /nfs/dbraw/zinc/24/75/97/1357247597.db2.gz GFABERVUKULCGP-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001393881365 1357247600 /nfs/dbraw/zinc/24/76/00/1357247600.db2.gz GFABERVUKULCGP-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001379037924 1345520213 /nfs/dbraw/zinc/52/02/13/1345520213.db2.gz WTOLNRGHLLGIBE-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001379154832 1345630493 /nfs/dbraw/zinc/63/04/93/1345630493.db2.gz NJXOSTFEYWXTGX-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001379154837 1345630547 /nfs/dbraw/zinc/63/05/47/1345630547.db2.gz NJXOSTFEYWXTGX-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001379235418 1345674013 /nfs/dbraw/zinc/67/40/13/1345674013.db2.gz XVNMJYPVOMKESM-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001379235216 1345674152 /nfs/dbraw/zinc/67/41/52/1345674152.db2.gz ZQCWDSYPSRBKQC-PBHICJAKSA-N 1 3 331.460 2.710 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001379280442 1345696508 /nfs/dbraw/zinc/69/65/08/1345696508.db2.gz GBZWOUUIOXJVSD-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC001379281410 1345697252 /nfs/dbraw/zinc/69/72/52/1345697252.db2.gz HXPXSMJGMYVMJS-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001379292295 1345704374 /nfs/dbraw/zinc/70/43/74/1345704374.db2.gz ZFYRZIKTOVQKPE-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001379316986 1345720431 /nfs/dbraw/zinc/72/04/31/1345720431.db2.gz MLCOEFGAYOKLEI-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001379383913 1345758043 /nfs/dbraw/zinc/75/80/43/1345758043.db2.gz RXYDYKKADWHIRF-OAHLLOKOSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001393892693 1357262343 /nfs/dbraw/zinc/26/23/43/1357262343.db2.gz CVBRSRQYFSTBGH-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CCC3CC3)C2)C1 ZINC001393892693 1357262350 /nfs/dbraw/zinc/26/23/50/1357262350.db2.gz CVBRSRQYFSTBGH-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001379422982 1345777920 /nfs/dbraw/zinc/77/79/20/1345777920.db2.gz VOSSUSZMNORZLJ-JXXFODFXSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001379466539 1345802006 /nfs/dbraw/zinc/80/20/06/1345802006.db2.gz LNTUQUCEWYEDOX-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001379559249 1345862339 /nfs/dbraw/zinc/86/23/39/1345862339.db2.gz BUZBQHDINRCPFU-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@H]1C ZINC001379566728 1345870848 /nfs/dbraw/zinc/87/08/48/1345870848.db2.gz JNKYCFHEDNECMO-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001379599214 1345910937 /nfs/dbraw/zinc/91/09/37/1345910937.db2.gz SRYPNIGELJGVQK-LRDDRELGSA-N 1 3 325.522 2.545 20 0 EFADHO CCc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379679191 1347253597 /nfs/dbraw/zinc/25/35/97/1347253597.db2.gz MZWQJTQSURYLKE-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379679191 1347253599 /nfs/dbraw/zinc/25/35/99/1347253599.db2.gz MZWQJTQSURYLKE-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001379680712 1347254822 /nfs/dbraw/zinc/25/48/22/1347254822.db2.gz PSHCBPMHHLXTAL-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001379680712 1347254818 /nfs/dbraw/zinc/25/48/18/1347254818.db2.gz PSHCBPMHHLXTAL-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001379693497 1347263983 /nfs/dbraw/zinc/26/39/83/1347263983.db2.gz RWQRGYCBIISHEX-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001379693497 1347263985 /nfs/dbraw/zinc/26/39/85/1347263985.db2.gz RWQRGYCBIISHEX-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1F ZINC001379873547 1347381239 /nfs/dbraw/zinc/38/12/39/1347381239.db2.gz HQKTZTUKRYVOHN-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1F ZINC001379873558 1347381451 /nfs/dbraw/zinc/38/14/51/1347381451.db2.gz HQKTZTUKRYVOHN-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001379876704 1347382352 /nfs/dbraw/zinc/38/23/52/1347382352.db2.gz MJTSIECZXFWSSD-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)cc1 ZINC001379895749 1347392662 /nfs/dbraw/zinc/39/26/62/1347392662.db2.gz HQXMLMOJHXUZFV-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001379906542 1347399247 /nfs/dbraw/zinc/39/92/47/1347399247.db2.gz DJQQWQNSRKAPMF-GOSISDBHSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001380078462 1347505362 /nfs/dbraw/zinc/50/53/62/1347505362.db2.gz VVSRMKIRBXYXCH-ZWKOTPCHSA-N 1 3 348.535 2.597 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCc3csc(C)c3)CC2)C1 ZINC001380141446 1347531249 /nfs/dbraw/zinc/53/12/49/1347531249.db2.gz QMMDSFGTFIODSY-QGZVFWFLSA-N 1 3 349.544 2.917 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCc3csc(C)c3)CC2)C1 ZINC001380141446 1347531252 /nfs/dbraw/zinc/53/12/52/1347531252.db2.gz QMMDSFGTFIODSY-QGZVFWFLSA-N 1 3 349.544 2.917 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001380144470 1347532901 /nfs/dbraw/zinc/53/29/01/1347532901.db2.gz ZYEICSBJEJSTJP-AWEZNQCLSA-N 1 3 349.906 2.729 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2(NCc3ccccc3)CC2)CC1 ZINC001380149388 1347535678 /nfs/dbraw/zinc/53/56/78/1347535678.db2.gz CUVJPIYCVJOCEY-UHFFFAOYSA-N 1 3 329.488 2.545 20 0 EFADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CC(NCc2ccccc2Cl)C1 ZINC001380167948 1347545174 /nfs/dbraw/zinc/54/51/74/1347545174.db2.gz QUZOQULMOOKKEU-UHFFFAOYSA-N 1 3 349.906 2.761 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001380171766 1347547428 /nfs/dbraw/zinc/54/74/28/1347547428.db2.gz MPPKZUNLMOYPDI-SOAGJPPSSA-N 1 3 345.531 2.914 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C)C[C@@H]1C ZINC001380262152 1347559989 /nfs/dbraw/zinc/55/99/89/1347559989.db2.gz DFQYJWROGNNXKE-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C[C@H]1C ZINC001380268976 1347562975 /nfs/dbraw/zinc/56/29/75/1347562975.db2.gz OAAOPSHHCJXPTQ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C[C@H]2C)CC1 ZINC001380274917 1347564870 /nfs/dbraw/zinc/56/48/70/1347564870.db2.gz XFEKHUUVHYKPLG-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001380288889 1347570864 /nfs/dbraw/zinc/57/08/64/1347570864.db2.gz YZXNJERQGORDES-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001380423763 1347661709 /nfs/dbraw/zinc/66/17/09/1347661709.db2.gz OTRHXZHCGWZJBZ-HXUWFJFHSA-N 1 3 340.471 2.597 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001380423633 1347661751 /nfs/dbraw/zinc/66/17/51/1347661751.db2.gz OFDJSWCPDYHGIK-ICSRJNTNSA-N 1 3 349.494 2.803 20 0 EFADHO CC1(CNC(=O)C23CCC[NH+]2CCC3)CCN(C/C=C/Cl)CC1 ZINC001380447670 1347677829 /nfs/dbraw/zinc/67/78/29/1347677829.db2.gz FSMKIGLQALPMDJ-RUDMXATFSA-N 1 3 339.911 2.586 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380660125 1347795796 /nfs/dbraw/zinc/79/57/96/1347795796.db2.gz GBSWDRDKPUMRQQ-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380675479 1347805051 /nfs/dbraw/zinc/80/50/51/1347805051.db2.gz KQOXIWVQIWAEHQ-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380675474 1347805285 /nfs/dbraw/zinc/80/52/85/1347805285.db2.gz KQOXIWVQIWAEHQ-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380935972 1347968070 /nfs/dbraw/zinc/96/80/70/1347968070.db2.gz UYQHOQFDNQCYFO-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380935972 1347968072 /nfs/dbraw/zinc/96/80/72/1347968072.db2.gz UYQHOQFDNQCYFO-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001380949234 1347978487 /nfs/dbraw/zinc/97/84/87/1347978487.db2.gz NZRZMEDFGPTHPW-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccc(CCC[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001380949234 1347978490 /nfs/dbraw/zinc/97/84/90/1347978490.db2.gz NZRZMEDFGPTHPW-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001380950526 1347980296 /nfs/dbraw/zinc/98/02/96/1347980296.db2.gz UWJFOCPUKQILBZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001380950526 1347980298 /nfs/dbraw/zinc/98/02/98/1347980298.db2.gz UWJFOCPUKQILBZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)sc1C)N(C)C ZINC001380969156 1347993527 /nfs/dbraw/zinc/99/35/27/1347993527.db2.gz ZFQHFNDRNDMUHB-KRWDZBQOSA-N 1 3 339.549 2.985 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)sc1C)N(C)C ZINC001380969156 1347993529 /nfs/dbraw/zinc/99/35/29/1347993529.db2.gz ZFQHFNDRNDMUHB-KRWDZBQOSA-N 1 3 339.549 2.985 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCCF)C1 ZINC001380991062 1348010066 /nfs/dbraw/zinc/01/00/66/1348010066.db2.gz UEKBLFKJOCGMLO-MSOLQXFVSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001380991062 1348010070 /nfs/dbraw/zinc/01/00/70/1348010070.db2.gz UEKBLFKJOCGMLO-MSOLQXFVSA-N 1 3 341.515 2.781 20 0 EFADHO CCCC[N@@H+]1Cc2ccc(CNC(=O)C3(N(C)C)CCC3)cc2C1 ZINC001381071390 1348057568 /nfs/dbraw/zinc/05/75/68/1348057568.db2.gz XMHJLRIMSZHKMB-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO CCCC[N@H+]1Cc2ccc(CNC(=O)C3(N(C)C)CCC3)cc2C1 ZINC001381071390 1348057571 /nfs/dbraw/zinc/05/75/71/1348057571.db2.gz XMHJLRIMSZHKMB-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC001381121474 1348090819 /nfs/dbraw/zinc/09/08/19/1348090819.db2.gz DVMGWCCMVOFUCO-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@H](C)C1 ZINC001381174599 1348121862 /nfs/dbraw/zinc/12/18/62/1348121862.db2.gz PUHIUWMPBZHERH-CVEARBPZSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@H](C)C1 ZINC001381174599 1348121863 /nfs/dbraw/zinc/12/18/63/1348121863.db2.gz PUHIUWMPBZHERH-CVEARBPZSA-N 1 3 337.533 2.602 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001381226132 1348152372 /nfs/dbraw/zinc/15/23/72/1348152372.db2.gz JZIWTFKMSVMLAB-SJCJKPOMSA-N 1 3 344.434 2.572 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2nc[nH]c2C)cc1 ZINC001381226881 1348152889 /nfs/dbraw/zinc/15/28/89/1348152889.db2.gz PVIDALOXUBTSES-AWEZNQCLSA-N 1 3 328.460 2.508 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001394030382 1357401798 /nfs/dbraw/zinc/40/17/98/1357401798.db2.gz OGQXPZSEMOCXDZ-UHFFFAOYSA-N 1 3 346.450 2.674 20 0 EFADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccn1)CC(C)(C)C ZINC001381478753 1348300522 /nfs/dbraw/zinc/30/05/22/1348300522.db2.gz LJHKTKBLRMAUSC-UHFFFAOYSA-N 1 3 348.535 2.634 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381527004 1348330949 /nfs/dbraw/zinc/33/09/49/1348330949.db2.gz CWEUPTHILJQXCJ-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381527004 1348330954 /nfs/dbraw/zinc/33/09/54/1348330954.db2.gz CWEUPTHILJQXCJ-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381534829 1348336818 /nfs/dbraw/zinc/33/68/18/1348336818.db2.gz RXLGGOQIYOFAMO-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001381534829 1348336822 /nfs/dbraw/zinc/33/68/22/1348336822.db2.gz RXLGGOQIYOFAMO-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001394032739 1357403036 /nfs/dbraw/zinc/40/30/36/1357403036.db2.gz ZHTUTOBKNRSXDM-UHFFFAOYSA-N 1 3 342.487 2.843 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@H](C)c1cccc(F)c1 ZINC001381571265 1348368483 /nfs/dbraw/zinc/36/84/83/1348368483.db2.gz ILJPITAZYXKRRF-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381579864 1348376035 /nfs/dbraw/zinc/37/60/35/1348376035.db2.gz XDGDFKIAAATENH-KBXCAEBGSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381595756 1348390074 /nfs/dbraw/zinc/39/00/74/1348390074.db2.gz CNCHRFVZWAZCDE-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381595756 1348390075 /nfs/dbraw/zinc/39/00/75/1348390075.db2.gz CNCHRFVZWAZCDE-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001381611034 1348402449 /nfs/dbraw/zinc/40/24/49/1348402449.db2.gz ORPLMPZIADWGJI-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001381611034 1348402451 /nfs/dbraw/zinc/40/24/51/1348402451.db2.gz ORPLMPZIADWGJI-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001381622068 1348411409 /nfs/dbraw/zinc/41/14/09/1348411409.db2.gz VFJSUUWVLJURFO-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001381635106 1348421710 /nfs/dbraw/zinc/42/17/10/1348421710.db2.gz YCKOHYJXRJOQRE-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001381635106 1348421712 /nfs/dbraw/zinc/42/17/12/1348421712.db2.gz YCKOHYJXRJOQRE-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001381816409 1348546927 /nfs/dbraw/zinc/54/69/27/1348546927.db2.gz SXEQQVGEEUQTOD-CQSZACIVSA-N 1 3 337.533 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)sc2C)C1 ZINC001381816409 1348546929 /nfs/dbraw/zinc/54/69/29/1348546929.db2.gz SXEQQVGEEUQTOD-CQSZACIVSA-N 1 3 337.533 2.643 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001381826402 1348554467 /nfs/dbraw/zinc/55/44/67/1348554467.db2.gz VCFPDHHXFFAZBE-OXQOHEQNSA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001381936432 1348614985 /nfs/dbraw/zinc/61/49/85/1348614985.db2.gz YSYPKJYQFLPVQM-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001381936432 1348614990 /nfs/dbraw/zinc/61/49/90/1348614990.db2.gz YSYPKJYQFLPVQM-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)C/C=C/c2ccccc2)CC1 ZINC001381977407 1348634187 /nfs/dbraw/zinc/63/41/87/1348634187.db2.gz YMDZYRNIUQGWEH-CLOLKSBNSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)C/C=C/c2ccccc2)CC1 ZINC001381977407 1348634189 /nfs/dbraw/zinc/63/41/89/1348634189.db2.gz YMDZYRNIUQGWEH-CLOLKSBNSA-N 1 3 341.499 2.717 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001382127857 1348748189 /nfs/dbraw/zinc/74/81/89/1348748189.db2.gz SURFGMQYZFWMQH-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C\Cl)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001382307046 1348857503 /nfs/dbraw/zinc/85/75/03/1348857503.db2.gz BWESOHBNNZCZJU-YWEIOQIGSA-N 1 3 349.906 2.736 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001382320791 1348867974 /nfs/dbraw/zinc/86/79/74/1348867974.db2.gz YMVVDWYHTIKWFG-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1C ZINC001382320249 1348868496 /nfs/dbraw/zinc/86/84/96/1348868496.db2.gz XDKPMUHOYLYGEK-CHWSQXEVSA-N 1 3 343.924 2.822 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001382591700 1349038611 /nfs/dbraw/zinc/03/86/11/1349038611.db2.gz URVVLVGMEGUVLO-MHJFOBGBSA-N 1 3 345.531 2.969 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cccc(Cl)c1 ZINC001394098472 1357468040 /nfs/dbraw/zinc/46/80/40/1357468040.db2.gz AJSUPWJKCPLWQT-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001394101958 1357472818 /nfs/dbraw/zinc/47/28/18/1357472818.db2.gz JYACMXTYFKSDKD-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001394126317 1357502419 /nfs/dbraw/zinc/50/24/19/1357502419.db2.gz NYALEMLNGDTSHP-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001394126317 1357502421 /nfs/dbraw/zinc/50/24/21/1357502421.db2.gz NYALEMLNGDTSHP-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccccc1 ZINC001394174902 1357550292 /nfs/dbraw/zinc/55/02/92/1357550292.db2.gz PMSDTNDWDDUFEE-RTBURBONSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001394251891 1357638892 /nfs/dbraw/zinc/63/88/92/1357638892.db2.gz OMZJBQONRZHYCN-JKSUJKDBSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001388683318 1352917943 /nfs/dbraw/zinc/91/79/43/1352917943.db2.gz VWOFHBSBXNHTQY-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001388685770 1352919878 /nfs/dbraw/zinc/91/98/78/1352919878.db2.gz JQIPZJAEVPSQGN-OTWHNJEPSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001388687475 1352921138 /nfs/dbraw/zinc/92/11/38/1352921138.db2.gz MVGMWELUXFZPML-CGBFIWBNSA-N 1 3 343.515 2.882 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001388721878 1352949840 /nfs/dbraw/zinc/94/98/40/1352949840.db2.gz QRDUDJZZOBWRLU-IYARVYRRSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1F ZINC001388723183 1352951078 /nfs/dbraw/zinc/95/10/78/1352951078.db2.gz AWYILEKAOBBXQV-QBPKDAKJSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001388736363 1352963134 /nfs/dbraw/zinc/96/31/34/1352963134.db2.gz PISIANASXQPGTF-XIRDDKMYSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001389332978 1353309609 /nfs/dbraw/zinc/30/96/09/1353309609.db2.gz HGKUZZRLMPTTKS-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001389341897 1353317623 /nfs/dbraw/zinc/31/76/23/1353317623.db2.gz IBLVQIWNPUCWBT-RHSMWYFYSA-N 1 3 346.500 2.616 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001389510587 1353441966 /nfs/dbraw/zinc/44/19/66/1353441966.db2.gz NWQQNVLAGRWRMP-MYPZJPOHSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001389510587 1353441969 /nfs/dbraw/zinc/44/19/69/1353441969.db2.gz NWQQNVLAGRWRMP-MYPZJPOHSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)cc1 ZINC001389668609 1353541416 /nfs/dbraw/zinc/54/14/16/1353541416.db2.gz PDJOVJRTPGSRSX-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001389684494 1353553342 /nfs/dbraw/zinc/55/33/42/1353553342.db2.gz FSKMIPADBPQWJS-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001389725000 1353582609 /nfs/dbraw/zinc/58/26/09/1353582609.db2.gz FEUIUIYSDSZRHA-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001389725000 1353582612 /nfs/dbraw/zinc/58/26/12/1353582612.db2.gz FEUIUIYSDSZRHA-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3Cl)C2)CCC1 ZINC001389852125 1353648418 /nfs/dbraw/zinc/64/84/18/1353648418.db2.gz GGDMXRAWBRQVQJ-SHTZXODSSA-N 1 3 335.879 2.561 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001389879580 1353663510 /nfs/dbraw/zinc/66/35/10/1353663510.db2.gz XOGBVCJTNFFUJW-OSMBCOQSSA-N 1 3 337.895 2.978 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001389894815 1353673361 /nfs/dbraw/zinc/67/33/61/1353673361.db2.gz GFYGGQQZHBDUPU-HLNSBACISA-N 1 3 349.906 2.904 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001390073075 1353785530 /nfs/dbraw/zinc/78/55/30/1353785530.db2.gz SPLCGCUQBHNTSV-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001390073075 1353785536 /nfs/dbraw/zinc/78/55/36/1353785536.db2.gz SPLCGCUQBHNTSV-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001390160898 1353876321 /nfs/dbraw/zinc/87/63/21/1353876321.db2.gz LVGMTGJVPIQGGE-HKFHSAMXSA-N 1 3 329.916 2.688 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001390160898 1353876328 /nfs/dbraw/zinc/87/63/28/1353876328.db2.gz LVGMTGJVPIQGGE-HKFHSAMXSA-N 1 3 329.916 2.688 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@@H]1C ZINC001394675543 1357994300 /nfs/dbraw/zinc/99/43/00/1357994300.db2.gz YINGCJNSZVBMMA-ZWKOTPCHSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001390392957 1354059375 /nfs/dbraw/zinc/05/93/75/1354059375.db2.gz FNVHIFVMKSRFAP-WBVHZDCISA-N 1 3 325.541 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001390403595 1354065801 /nfs/dbraw/zinc/06/58/01/1354065801.db2.gz RCLFLLILRJNOPN-PBHICJAKSA-N 1 3 339.911 2.563 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](NCc2ccccc2F)C1 ZINC001390576194 1354183364 /nfs/dbraw/zinc/18/33/64/1354183364.db2.gz ITORCAKPXKGBMC-SFHVURJKSA-N 1 3 347.478 2.782 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001390602423 1354197994 /nfs/dbraw/zinc/19/79/94/1354197994.db2.gz FCOGCQUHALTNKC-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001390628804 1354225594 /nfs/dbraw/zinc/22/55/94/1354225594.db2.gz SBJYJGSUWDRAJW-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001390628804 1354225603 /nfs/dbraw/zinc/22/56/03/1354225603.db2.gz SBJYJGSUWDRAJW-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001390638439 1354236058 /nfs/dbraw/zinc/23/60/58/1354236058.db2.gz TWPSIEVUMGGVEQ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC001390638439 1354236065 /nfs/dbraw/zinc/23/60/65/1354236065.db2.gz TWPSIEVUMGGVEQ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cc(Cl)ccc1F ZINC001390647611 1354245089 /nfs/dbraw/zinc/24/50/89/1354245089.db2.gz QIRVGRXSVFAFMW-MLGOLLRUSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001390700680 1354293020 /nfs/dbraw/zinc/29/30/20/1354293020.db2.gz LADFMPZCOCAFOQ-SUMWQHHRSA-N 1 3 341.446 2.535 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001390719978 1354312473 /nfs/dbraw/zinc/31/24/73/1354312473.db2.gz PHEBSWGHBKWKPK-OAHLLOKOSA-N 1 3 328.460 2.562 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390764069 1354351555 /nfs/dbraw/zinc/35/15/55/1354351555.db2.gz IUXVQBFDHWTSIL-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001390764069 1354351557 /nfs/dbraw/zinc/35/15/57/1354351557.db2.gz IUXVQBFDHWTSIL-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390764086 1354351645 /nfs/dbraw/zinc/35/16/45/1354351645.db2.gz IUXVQBFDHWTSIL-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390764086 1354351651 /nfs/dbraw/zinc/35/16/51/1354351651.db2.gz IUXVQBFDHWTSIL-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001390860642 1354442558 /nfs/dbraw/zinc/44/25/58/1354442558.db2.gz YIMPIHFFGJLIQZ-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CCN(CCNC(=O)CC1CC[NH+](C)CC1)CCc1ccccc1F ZINC001390990152 1354646914 /nfs/dbraw/zinc/64/69/14/1354646914.db2.gz LBDBYHCSVQTHIY-UHFFFAOYSA-N 1 3 349.494 2.538 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093834 1354785453 /nfs/dbraw/zinc/78/54/53/1354785453.db2.gz HYYANLHMTBIQMN-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093834 1354785456 /nfs/dbraw/zinc/78/54/56/1354785456.db2.gz HYYANLHMTBIQMN-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(CC)c2)C1 ZINC001391111110 1354808491 /nfs/dbraw/zinc/80/84/91/1354808491.db2.gz LQFRIVOYSPDUDH-LJQANCHMSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001391111110 1354808495 /nfs/dbraw/zinc/80/84/95/1354808495.db2.gz LQFRIVOYSPDUDH-LJQANCHMSA-N 1 3 331.504 2.529 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001391127161 1354834305 /nfs/dbraw/zinc/83/43/05/1354834305.db2.gz CECGUPJMJNILCD-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001391127161 1354834313 /nfs/dbraw/zinc/83/43/13/1354834313.db2.gz CECGUPJMJNILCD-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001391168926 1354893041 /nfs/dbraw/zinc/89/30/41/1354893041.db2.gz OJDCLZGKCWOCMX-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001391168926 1354893043 /nfs/dbraw/zinc/89/30/43/1354893043.db2.gz OJDCLZGKCWOCMX-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](CC1CC(C)C1)C1CC1 ZINC001391180798 1354908800 /nfs/dbraw/zinc/90/88/00/1354908800.db2.gz ARXJTBBGLAHZAK-TVPLGVNVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](CC1CC(C)C1)C1CC1 ZINC001391180798 1354908805 /nfs/dbraw/zinc/90/88/05/1354908805.db2.gz ARXJTBBGLAHZAK-TVPLGVNVSA-N 1 3 335.536 2.876 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001391226999 1354949406 /nfs/dbraw/zinc/94/94/06/1354949406.db2.gz PYOBFLRFOIIRLD-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001391226999 1354949409 /nfs/dbraw/zinc/94/94/09/1354949409.db2.gz PYOBFLRFOIIRLD-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001391238586 1354961023 /nfs/dbraw/zinc/96/10/23/1354961023.db2.gz PUIJZBBPXDKLLD-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001391294251 1355033445 /nfs/dbraw/zinc/03/34/45/1355033445.db2.gz DNGXOWAXARUHOM-MOPGFXCFSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001391294251 1355033448 /nfs/dbraw/zinc/03/34/48/1355033448.db2.gz DNGXOWAXARUHOM-MOPGFXCFSA-N 1 3 331.504 2.601 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001391341195 1355098646 /nfs/dbraw/zinc/09/86/46/1355098646.db2.gz RUNWZAUAMKFIBP-INIZCTEOSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001391341195 1355098653 /nfs/dbraw/zinc/09/86/53/1355098653.db2.gz RUNWZAUAMKFIBP-INIZCTEOSA-N 1 3 334.508 2.915 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365064 1355131917 /nfs/dbraw/zinc/13/19/17/1355131917.db2.gz WGZANGJSFBQSKU-LPHOPBHVSA-N 1 3 340.471 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365064 1355131923 /nfs/dbraw/zinc/13/19/23/1355131923.db2.gz WGZANGJSFBQSKU-LPHOPBHVSA-N 1 3 340.471 2.884 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001391379177 1355148669 /nfs/dbraw/zinc/14/86/69/1355148669.db2.gz GPPHBBVZOUJQBE-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC(CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001391509102 1355260627 /nfs/dbraw/zinc/26/06/27/1355260627.db2.gz YCGGHINCZRYUII-UHFFFAOYSA-N 1 3 345.531 2.829 20 0 EFADHO Cc1cccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+](C)C)c1 ZINC001391536029 1355284674 /nfs/dbraw/zinc/28/46/74/1355284674.db2.gz KQAWYHAAOOVASC-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001391538706 1355287138 /nfs/dbraw/zinc/28/71/38/1355287138.db2.gz GGFLROTXWNNWGZ-BTRQGYIVSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001391717281 1355460634 /nfs/dbraw/zinc/46/06/34/1355460634.db2.gz FOHNZOAEUVUSJQ-IAGOWNOFSA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(C)cc1 ZINC001391719682 1355463249 /nfs/dbraw/zinc/46/32/49/1355463249.db2.gz KQKFZGVYDIODMF-SFHVURJKSA-N 1 3 333.520 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001391829115 1355571891 /nfs/dbraw/zinc/57/18/91/1355571891.db2.gz AQGNOWWNNPURPB-CVVUDGNYSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001391829115 1355571894 /nfs/dbraw/zinc/57/18/94/1355571894.db2.gz AQGNOWWNNPURPB-CVVUDGNYSA-N 1 3 336.307 2.664 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001391830459 1355573511 /nfs/dbraw/zinc/57/35/11/1355573511.db2.gz FKSHGHCBOFSPJZ-GUDVDZBRSA-N 1 3 349.494 2.929 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC001391862378 1355602649 /nfs/dbraw/zinc/60/26/49/1355602649.db2.gz WVNHYROBONOTHB-DNVCBOLYSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001391948438 1355672308 /nfs/dbraw/zinc/67/23/08/1355672308.db2.gz HCSHENTWUBJHSM-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001392048375 1355735717 /nfs/dbraw/zinc/73/57/17/1355735717.db2.gz HHNVGNWBXQLAMM-HNAYVOBHSA-N 1 3 346.519 2.544 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1F ZINC001392070933 1355748445 /nfs/dbraw/zinc/74/84/45/1355748445.db2.gz HWSBMIKNEPCVLC-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001392099820 1355765798 /nfs/dbraw/zinc/76/57/98/1355765798.db2.gz LAEJYMRTCAZFOJ-RDJZCZTQSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392100973 1355765861 /nfs/dbraw/zinc/76/58/61/1355765861.db2.gz PBSXZRDPNBJKAR-HNNXBMFYSA-N 1 3 337.483 2.740 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001392132919 1355792202 /nfs/dbraw/zinc/79/22/02/1355792202.db2.gz NISQBUGBEXWRPM-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@@H](C(=O)N1CCC(CCN(C)CCF)CC1)[NH+]1CCCCCC1 ZINC001392192202 1355847792 /nfs/dbraw/zinc/84/77/92/1355847792.db2.gz DXQHUDOTPCDXBL-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001392302305 1355957662 /nfs/dbraw/zinc/95/76/62/1355957662.db2.gz DUKNIGZIEAIVJT-OAHLLOKOSA-N 1 3 335.467 2.619 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC001392337462 1356004161 /nfs/dbraw/zinc/00/41/61/1356004161.db2.gz KUGVAMLEAFRIFL-QFBILLFUSA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001392439053 1356039028 /nfs/dbraw/zinc/03/90/28/1356039028.db2.gz IQRRDWQMAVYSDE-ZWKOTPCHSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)CN1CC[C@@H](C)C1 ZINC001392451572 1356047380 /nfs/dbraw/zinc/04/73/80/1356047380.db2.gz BBIMWLDRNZVIND-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@H](CNCc1sccc1Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001392512759 1356088685 /nfs/dbraw/zinc/08/86/85/1356088685.db2.gz QIEWIYLDSGMYIG-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC001392527369 1356099923 /nfs/dbraw/zinc/09/99/23/1356099923.db2.gz UWFCTGYHPAQQMJ-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392658953 1356206163 /nfs/dbraw/zinc/20/61/63/1356206163.db2.gz HATFYSLOZYKDKT-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392658953 1356206167 /nfs/dbraw/zinc/20/61/67/1356206167.db2.gz HATFYSLOZYKDKT-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660352 1356206672 /nfs/dbraw/zinc/20/66/72/1356206672.db2.gz LOPDJAWHRTUZTP-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660352 1356206675 /nfs/dbraw/zinc/20/66/75/1356206675.db2.gz LOPDJAWHRTUZTP-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392689864 1356240454 /nfs/dbraw/zinc/24/04/54/1356240454.db2.gz RWQRGYCBIISHEX-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392689864 1356240457 /nfs/dbraw/zinc/24/04/57/1356240457.db2.gz RWQRGYCBIISHEX-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001392712223 1356265361 /nfs/dbraw/zinc/26/53/61/1356265361.db2.gz QIVZXXHJVRBJKX-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001392712223 1356265362 /nfs/dbraw/zinc/26/53/62/1356265362.db2.gz QIVZXXHJVRBJKX-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)C1(N(C)C)CCC1 ZINC001401609519 1362970428 /nfs/dbraw/zinc/97/04/28/1362970428.db2.gz PVKKGCCCYDEDIB-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001392810710 1356346157 /nfs/dbraw/zinc/34/61/57/1356346157.db2.gz XPWWGJRLWHVWQC-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001392810722 1356346212 /nfs/dbraw/zinc/34/62/12/1356346212.db2.gz XPWWGJRLWHVWQC-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3ccccc3Cl)CC2)CCC1 ZINC001392911609 1356425464 /nfs/dbraw/zinc/42/54/64/1356425464.db2.gz MJNMJAYBHKQHGP-UHFFFAOYSA-N 1 3 349.906 2.605 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2(NCc3cccc(Cl)c3)CC2)CC1 ZINC001392944455 1356454125 /nfs/dbraw/zinc/45/41/25/1356454125.db2.gz XKHIVSHHKABSGN-UHFFFAOYSA-N 1 3 349.906 2.810 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001393044469 1356534238 /nfs/dbraw/zinc/53/42/38/1356534238.db2.gz ZNYKTJTVFINYQW-IEBWSBKVSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001393049539 1356537411 /nfs/dbraw/zinc/53/74/11/1356537411.db2.gz AZEXBVMVZCSLLB-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001393121162 1356623009 /nfs/dbraw/zinc/62/30/09/1356623009.db2.gz KTLWKAKARPTEAQ-NHHWLVAYSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(C/C=C\c2ccccc2)C1 ZINC001393121162 1356623011 /nfs/dbraw/zinc/62/30/11/1356623011.db2.gz KTLWKAKARPTEAQ-NHHWLVAYSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)C1(C(=O)NCC2(C)CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC001393175169 1356681189 /nfs/dbraw/zinc/68/11/89/1356681189.db2.gz DHUKUGKHVRGUSN-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001393208038 1356721581 /nfs/dbraw/zinc/72/15/81/1356721581.db2.gz SJPQRKBKBXCMHI-FPOVZHCZSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001393208038 1356721583 /nfs/dbraw/zinc/72/15/83/1356721583.db2.gz SJPQRKBKBXCMHI-FPOVZHCZSA-N 1 3 345.531 2.991 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001393415191 1356830957 /nfs/dbraw/zinc/83/09/57/1356830957.db2.gz PNRYVHVJTNCBII-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC001393415191 1356830962 /nfs/dbraw/zinc/83/09/62/1356830962.db2.gz PNRYVHVJTNCBII-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)C1CCC1 ZINC001393542365 1356933377 /nfs/dbraw/zinc/93/33/77/1356933377.db2.gz DKZFKXVZUJFHBU-UHFFFAOYSA-N 1 3 347.478 2.769 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(NCc2ccccc2F)CCC1)[NH+](C)C ZINC001393565413 1356954055 /nfs/dbraw/zinc/95/40/55/1356954055.db2.gz FEFDOTHXCGDWAT-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001393594618 1356975482 /nfs/dbraw/zinc/97/54/82/1356975482.db2.gz CQQOFZYIPTWSIA-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001393594618 1356975484 /nfs/dbraw/zinc/97/54/84/1356975484.db2.gz CQQOFZYIPTWSIA-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001393594918 1356976517 /nfs/dbraw/zinc/97/65/17/1356976517.db2.gz LSCLRPBSFMRZLD-MOPGFXCFSA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001393594918 1356976521 /nfs/dbraw/zinc/97/65/21/1356976521.db2.gz LSCLRPBSFMRZLD-MOPGFXCFSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001393628429 1357021797 /nfs/dbraw/zinc/02/17/97/1357021797.db2.gz CTSWUAGTNYKWHY-GOSISDBHSA-N 1 3 337.483 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001393628429 1357021801 /nfs/dbraw/zinc/02/18/01/1357021801.db2.gz CTSWUAGTNYKWHY-GOSISDBHSA-N 1 3 337.483 2.692 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001393632628 1357028001 /nfs/dbraw/zinc/02/80/01/1357028001.db2.gz LQRRIQHIBOIIFX-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001393632628 1357028006 /nfs/dbraw/zinc/02/80/06/1357028006.db2.gz LQRRIQHIBOIIFX-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001393642749 1357042276 /nfs/dbraw/zinc/04/22/76/1357042276.db2.gz WVDIPNOWUGJCFQ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001393642749 1357042279 /nfs/dbraw/zinc/04/22/79/1357042279.db2.gz WVDIPNOWUGJCFQ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001393645656 1357048067 /nfs/dbraw/zinc/04/80/67/1357048067.db2.gz ZYFIXDVLTDUUQB-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)ccc1C)N(C)C ZINC001393645656 1357048071 /nfs/dbraw/zinc/04/80/71/1357048071.db2.gz ZYFIXDVLTDUUQB-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393682877 1357076426 /nfs/dbraw/zinc/07/64/26/1357076426.db2.gz ANCIRGMSTIHWEP-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393682877 1357076429 /nfs/dbraw/zinc/07/64/29/1357076429.db2.gz ANCIRGMSTIHWEP-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CCCC3CCC3)CC2)C1 ZINC001394390210 1357762624 /nfs/dbraw/zinc/76/26/24/1357762624.db2.gz LESYCLJUZQFTQP-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCCC3CCC3)CC2)C1 ZINC001394390210 1357762627 /nfs/dbraw/zinc/76/26/27/1357762627.db2.gz LESYCLJUZQFTQP-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1 ZINC001394397350 1357771125 /nfs/dbraw/zinc/77/11/25/1357771125.db2.gz IJAUVNYUOUDOSY-UHFFFAOYSA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1 ZINC001394397350 1357771127 /nfs/dbraw/zinc/77/11/27/1357771127.db2.gz IJAUVNYUOUDOSY-UHFFFAOYSA-N 1 3 349.494 2.921 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]CC2CCCCC2)C2CC2)CCC1 ZINC001394424623 1357801347 /nfs/dbraw/zinc/80/13/47/1357801347.db2.gz BYCIUICGKZZCIL-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](CNCc1ccccc1F)C1CC1)[NH+](C)C ZINC001394444009 1357823898 /nfs/dbraw/zinc/82/38/98/1357823898.db2.gz OGESEVPFFWGPEE-RTBURBONSA-N 1 3 349.494 2.739 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001394488407 1357870482 /nfs/dbraw/zinc/87/04/82/1357870482.db2.gz KVRMMMDYBJPJQN-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)CCC1 ZINC001436791337 1387299038 /nfs/dbraw/zinc/29/90/38/1387299038.db2.gz MSSBTDBELUMESU-GOSISDBHSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001394531434 1357916683 /nfs/dbraw/zinc/91/66/83/1357916683.db2.gz WKAJNZUHTGAHOY-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001394664204 1357983054 /nfs/dbraw/zinc/98/30/54/1357983054.db2.gz AYIDUCJEGXXCAE-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H]1C[C@@H](NCc2cc3ccccc3o2)CN1C(=O)CCC[NH+](C)C ZINC001394666398 1357984901 /nfs/dbraw/zinc/98/49/01/1357984901.db2.gz GODINIJSYLHTSX-NVXWUHKLSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccc(CC)cc2)C[C@@H]1C ZINC001394665851 1357985070 /nfs/dbraw/zinc/98/50/70/1357985070.db2.gz DZUWEJYSSNKBTQ-FXAWDEMLSA-N 1 3 345.531 2.712 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001394668600 1357985760 /nfs/dbraw/zinc/98/57/60/1357985760.db2.gz JAFSEVQXQPTFRC-DOTOQJQBSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C\Cl)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001394670093 1357988011 /nfs/dbraw/zinc/98/80/11/1357988011.db2.gz OWBAROJTIUMCHX-IKLSJNRZSA-N 1 3 335.879 2.693 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)cs1 ZINC001394701340 1358027485 /nfs/dbraw/zinc/02/74/85/1358027485.db2.gz IQLKVHKGHCQWNS-RDJZCZTQSA-N 1 3 349.544 2.915 20 0 EFADHO COC[C@H](C)[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001394831220 1358131186 /nfs/dbraw/zinc/13/11/86/1358131186.db2.gz WNYCUSCPYQNPOR-YJBOKZPZSA-N 1 3 349.519 2.517 20 0 EFADHO CC[C@H]([NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001436842479 1387330914 /nfs/dbraw/zinc/33/09/14/1387330914.db2.gz SXMCRAKNMRTKSI-PKOBYXMFSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397093819 1359671232 /nfs/dbraw/zinc/67/12/32/1359671232.db2.gz DUBMQPRDMKKIKS-KNCCTNLNSA-N 1 3 335.467 2.711 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001397093885 1359671430 /nfs/dbraw/zinc/67/14/30/1359671430.db2.gz FOFRNOQCEKVBDT-QABNGEJJSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001397126714 1359691262 /nfs/dbraw/zinc/69/12/62/1359691262.db2.gz BXZQQLWFXSKTQN-QGPMSJSTSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H](N[C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001397126646 1359691514 /nfs/dbraw/zinc/69/15/14/1359691514.db2.gz CJLLBAPKWQEDDF-JYJNAYRXSA-N 1 3 335.467 2.713 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](CC)N(C)C ZINC001397176713 1359726835 /nfs/dbraw/zinc/72/68/35/1359726835.db2.gz VVJXARYDXQXLHC-NJAFHUGGSA-N 1 3 325.541 2.980 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001397220733 1359760573 /nfs/dbraw/zinc/76/05/73/1359760573.db2.gz UJAFQTHIDDQJPX-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001397220733 1359760575 /nfs/dbraw/zinc/76/05/75/1359760575.db2.gz UJAFQTHIDDQJPX-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001437149801 1387422328 /nfs/dbraw/zinc/42/23/28/1387422328.db2.gz UAQJKLHBAHDXDN-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001397596891 1359990024 /nfs/dbraw/zinc/99/00/24/1359990024.db2.gz WJEBDNURXBNDMO-OTWHNJEPSA-N 1 3 349.494 2.727 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001397636361 1360018793 /nfs/dbraw/zinc/01/87/93/1360018793.db2.gz UBBZLYGQZLSIOA-NTDBWNAOSA-N 1 3 329.488 2.574 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)CCC1 ZINC001398182497 1360360712 /nfs/dbraw/zinc/36/07/12/1360360712.db2.gz DOAGKWIQPRBHQS-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001398420730 1360539089 /nfs/dbraw/zinc/53/90/89/1360539089.db2.gz YNESHNIKBRXOGA-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398465085 1360583349 /nfs/dbraw/zinc/58/33/49/1360583349.db2.gz NXFSECFLDMAKEY-RCMYXZNBSA-N 1 3 341.927 2.785 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001398538872 1360633735 /nfs/dbraw/zinc/63/37/35/1360633735.db2.gz LVHHUGSZHADAPW-ZULIPRJHSA-N 1 3 343.515 2.887 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001398550477 1360639715 /nfs/dbraw/zinc/63/97/15/1360639715.db2.gz AQDMRPWXXYKFNN-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001398666025 1360697681 /nfs/dbraw/zinc/69/76/81/1360697681.db2.gz HECTZZYJNMTEAZ-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC001398666025 1360697687 /nfs/dbraw/zinc/69/76/87/1360697687.db2.gz HECTZZYJNMTEAZ-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001398666259 1360698063 /nfs/dbraw/zinc/69/80/63/1360698063.db2.gz BVYVMCUOIOZWAI-IDVICZFGSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001398666259 1360698068 /nfs/dbraw/zinc/69/80/68/1360698068.db2.gz BVYVMCUOIOZWAI-IDVICZFGSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001398666587 1360698588 /nfs/dbraw/zinc/69/85/88/1360698588.db2.gz BVYVMCUOIOZWAI-RIZQAGQYSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001398666587 1360698591 /nfs/dbraw/zinc/69/85/91/1360698591.db2.gz BVYVMCUOIOZWAI-RIZQAGQYSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001398725303 1360743003 /nfs/dbraw/zinc/74/30/03/1360743003.db2.gz LZUMFHJKPPNPCK-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001398825145 1360816901 /nfs/dbraw/zinc/81/69/01/1360816901.db2.gz ZCZQAHAVPVIZIY-KLBVCGFUSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001398825145 1360816905 /nfs/dbraw/zinc/81/69/05/1360816905.db2.gz ZCZQAHAVPVIZIY-KLBVCGFUSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc2ccccc21 ZINC001398949672 1360889039 /nfs/dbraw/zinc/88/90/39/1360889039.db2.gz OHIQACVSQQHAND-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001437235873 1387488813 /nfs/dbraw/zinc/48/88/13/1387488813.db2.gz KOVKEYOQUQBPJP-KXBFYZLASA-N 1 3 327.472 2.774 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccccc1 ZINC001399175915 1361049398 /nfs/dbraw/zinc/04/93/98/1361049398.db2.gz XHXYRSUKOBGRIL-INIZCTEOSA-N 1 3 325.456 2.656 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001399182091 1361052523 /nfs/dbraw/zinc/05/25/23/1361052523.db2.gz PKEHMSZCMFFROE-IBGZPJMESA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001399478657 1361261800 /nfs/dbraw/zinc/26/18/00/1361261800.db2.gz FCHDEBJAHPAWFN-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001399478657 1361261804 /nfs/dbraw/zinc/26/18/04/1361261804.db2.gz FCHDEBJAHPAWFN-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001399507642 1361289902 /nfs/dbraw/zinc/28/99/02/1361289902.db2.gz WTENJQBBLZAKRS-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001399507642 1361289905 /nfs/dbraw/zinc/28/99/05/1361289905.db2.gz WTENJQBBLZAKRS-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1cccc(F)c1 ZINC001399712403 1361446876 /nfs/dbraw/zinc/44/68/76/1361446876.db2.gz MSCYMIBJNMMHQR-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1cccc(F)c1 ZINC001399712403 1361446878 /nfs/dbraw/zinc/44/68/78/1361446878.db2.gz MSCYMIBJNMMHQR-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cccc(C)c1 ZINC001399766116 1361486849 /nfs/dbraw/zinc/48/68/49/1361486849.db2.gz NQLADOXMTASSNW-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1cccc(C)c1 ZINC001399766116 1361486852 /nfs/dbraw/zinc/48/68/52/1361486852.db2.gz NQLADOXMTASSNW-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001399875979 1361544172 /nfs/dbraw/zinc/54/41/72/1361544172.db2.gz XGPOGIFNCGLYBV-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001399887762 1361553194 /nfs/dbraw/zinc/55/31/94/1361553194.db2.gz BSFSJFMCKYJQKA-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001399901527 1361563115 /nfs/dbraw/zinc/56/31/15/1361563115.db2.gz KWNDAMSTAVZXJR-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001399901527 1361563118 /nfs/dbraw/zinc/56/31/18/1361563118.db2.gz KWNDAMSTAVZXJR-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001399921187 1361577578 /nfs/dbraw/zinc/57/75/78/1361577578.db2.gz YPVAZSOEXGMCEP-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001399921187 1361577582 /nfs/dbraw/zinc/57/75/82/1361577582.db2.gz YPVAZSOEXGMCEP-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001399954392 1361608032 /nfs/dbraw/zinc/60/80/32/1361608032.db2.gz XGQYYRCFUOVZHF-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001399954392 1361608039 /nfs/dbraw/zinc/60/80/39/1361608039.db2.gz XGQYYRCFUOVZHF-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@H](CC)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001399968981 1361621119 /nfs/dbraw/zinc/62/11/19/1361621119.db2.gz CECGUPJMJNILCD-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@H](CC)N(C)C)[C@@H]1CCc2c1cccc2F ZINC001399968981 1361621122 /nfs/dbraw/zinc/62/11/22/1361621122.db2.gz CECGUPJMJNILCD-RBUKOAKNSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001437290415 1387526943 /nfs/dbraw/zinc/52/69/43/1387526943.db2.gz VIVCVHREPTUKRY-KRWDZBQOSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001400025500 1361676147 /nfs/dbraw/zinc/67/61/47/1361676147.db2.gz MJNSXAAHKYCYLG-UHFFFAOYSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400026311 1361677055 /nfs/dbraw/zinc/67/70/55/1361677055.db2.gz BBVQAFYNSUOTNT-SJLPKXTDSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400026311 1361677060 /nfs/dbraw/zinc/67/70/60/1361677060.db2.gz BBVQAFYNSUOTNT-SJLPKXTDSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001400029129 1361680027 /nfs/dbraw/zinc/68/00/27/1361680027.db2.gz OYJHXRGHGXBYPN-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001400029129 1361680031 /nfs/dbraw/zinc/68/00/31/1361680031.db2.gz OYJHXRGHGXBYPN-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001400088473 1361727420 /nfs/dbraw/zinc/72/74/20/1361727420.db2.gz QKEDOUPKZPWMFS-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001437316756 1387538167 /nfs/dbraw/zinc/53/81/67/1387538167.db2.gz QXCCEIJNCNJLPL-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCc2ccsc2)C1 ZINC001400231689 1361866666 /nfs/dbraw/zinc/86/66/66/1361866666.db2.gz MPDHZITUUSHTOL-ZWKOTPCHSA-N 1 3 349.544 2.555 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCc2ccsc2)C1 ZINC001400231689 1361866667 /nfs/dbraw/zinc/86/66/67/1361866667.db2.gz MPDHZITUUSHTOL-ZWKOTPCHSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001400295370 1361914067 /nfs/dbraw/zinc/91/40/67/1361914067.db2.gz HCURHOZAUXCUSZ-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001400295370 1361914069 /nfs/dbraw/zinc/91/40/69/1361914069.db2.gz HCURHOZAUXCUSZ-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2ccccc2C(C)C)C1 ZINC001400544480 1362019210 /nfs/dbraw/zinc/01/92/10/1362019210.db2.gz XAQFCBSMWSEJOS-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2ccccc2C(C)C)C1 ZINC001400544480 1362019212 /nfs/dbraw/zinc/01/92/12/1362019212.db2.gz XAQFCBSMWSEJOS-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001437327695 1387548193 /nfs/dbraw/zinc/54/81/93/1387548193.db2.gz KMVBXGFVTNUJKS-WXLZEUHASA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001437327695 1387548194 /nfs/dbraw/zinc/54/81/94/1387548194.db2.gz KMVBXGFVTNUJKS-WXLZEUHASA-N 1 3 336.307 2.664 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001400686553 1362094041 /nfs/dbraw/zinc/09/40/41/1362094041.db2.gz XMPCEZFCVZEERH-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001400686553 1362094042 /nfs/dbraw/zinc/09/40/42/1362094042.db2.gz XMPCEZFCVZEERH-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001400708232 1362111030 /nfs/dbraw/zinc/11/10/30/1362111030.db2.gz NHRXXBHJUXKMJU-IBGZPJMESA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(CCc2ccccc2F)C1 ZINC001400737804 1362130771 /nfs/dbraw/zinc/13/07/71/1362130771.db2.gz IRUGULIRTKWPMV-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001400802259 1362172736 /nfs/dbraw/zinc/17/27/36/1362172736.db2.gz JJHIFRAAJXCKJI-LJQANCHMSA-N 1 3 345.531 2.978 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1C ZINC001400815683 1362181185 /nfs/dbraw/zinc/18/11/85/1362181185.db2.gz VKSNAROYWCKRTH-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001437334189 1387556917 /nfs/dbraw/zinc/55/69/17/1387556917.db2.gz QWODQTDVWSHWEP-ROUUACIJSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001400903445 1362244063 /nfs/dbraw/zinc/24/40/63/1362244063.db2.gz JTPLEUITDKUWOZ-CABCVRRESA-N 1 3 333.467 2.637 20 0 EFADHO CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1ccns1 ZINC001400930694 1362271372 /nfs/dbraw/zinc/27/13/72/1362271372.db2.gz YHPKTNWPKLAHEX-INIZCTEOSA-N 1 3 346.500 2.503 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001437341215 1387564284 /nfs/dbraw/zinc/56/42/84/1387564284.db2.gz ZCOPVVKBWXGKHZ-IRXDYDNUSA-N 1 3 337.533 2.915 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001401052461 1362397474 /nfs/dbraw/zinc/39/74/74/1362397474.db2.gz MZMSFUOCSKDXPY-JHJVBQTASA-N 1 3 336.307 2.663 20 0 EFADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]Cc2ccccn2)CCCC[C@H]1C ZINC001401054697 1362399353 /nfs/dbraw/zinc/39/93/53/1362399353.db2.gz MHDPBRSDRKMGQO-YLJYHZDGSA-N 1 3 346.519 2.578 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001401081678 1362425903 /nfs/dbraw/zinc/42/59/03/1362425903.db2.gz ZDURHQPKIFRZEQ-JSNVTFDYSA-N 1 3 341.927 2.832 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001401110475 1362449423 /nfs/dbraw/zinc/44/94/23/1362449423.db2.gz QZABSDLILRUVBT-KXBFYZLASA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC(C)C1 ZINC001401151792 1362489102 /nfs/dbraw/zinc/48/91/02/1362489102.db2.gz HKZAXLBWEYYSBD-PQUAAJSLSA-N 1 3 331.504 2.750 20 0 EFADHO CN1CCCC[C@H]1C(=O)NCC1([NH2+]C/C(Cl)=C\Cl)CCCC1 ZINC001401181728 1362517282 /nfs/dbraw/zinc/51/72/82/1362517282.db2.gz GICNPUZYQFVHJB-UELRPHRMSA-N 1 3 348.318 2.808 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001401191362 1362530831 /nfs/dbraw/zinc/53/08/31/1362530831.db2.gz RGHDEZFGPMKFAZ-GDBMZVCRSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001401193938 1362534275 /nfs/dbraw/zinc/53/42/75/1362534275.db2.gz NNHZUWDXNDYMNG-INIZCTEOSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401220528 1362559473 /nfs/dbraw/zinc/55/94/73/1362559473.db2.gz MSSNIRTUHVEHJD-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001401222216 1362561646 /nfs/dbraw/zinc/56/16/46/1362561646.db2.gz SFZYMIWSYOLXLP-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001401251652 1362591317 /nfs/dbraw/zinc/59/13/17/1362591317.db2.gz JAGWVJZACLDLNB-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001401253521 1362593007 /nfs/dbraw/zinc/59/30/07/1362593007.db2.gz HETDJBYOODIWDV-SFHVURJKSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C ZINC001401344055 1362691346 /nfs/dbraw/zinc/69/13/46/1362691346.db2.gz SGYUOUSOPWCXJD-RTBURBONSA-N 1 3 333.520 2.812 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)cc1)C(C)C)N(C)C ZINC001401382498 1362735269 /nfs/dbraw/zinc/73/52/69/1362735269.db2.gz PYDYUUOUWTUZHJ-IRXDYDNUSA-N 1 3 339.911 2.911 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001437384436 1387596672 /nfs/dbraw/zinc/59/66/72/1387596672.db2.gz UHDULPYDELHZPE-QGZVFWFLSA-N 1 3 331.504 2.506 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC2CCC2)C1 ZINC001401491327 1362882686 /nfs/dbraw/zinc/88/26/86/1362882686.db2.gz LZGZRLDGHBIPAT-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC2CCC2)C1 ZINC001401491327 1362882691 /nfs/dbraw/zinc/88/26/91/1362882691.db2.gz LZGZRLDGHBIPAT-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001401624975 1362980570 /nfs/dbraw/zinc/98/05/70/1362980570.db2.gz ILURIYOFTKKPLG-MRXNPFEDSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401645841 1362996093 /nfs/dbraw/zinc/99/60/93/1362996093.db2.gz BUAKKTLDOBCPOA-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401684073 1363023406 /nfs/dbraw/zinc/02/34/06/1363023406.db2.gz AZCICGYDLLNNIH-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001401708026 1363042384 /nfs/dbraw/zinc/04/23/84/1363042384.db2.gz QEGSQOMSVRSZLT-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO C[C@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401754029 1363088122 /nfs/dbraw/zinc/08/81/22/1363088122.db2.gz BLABQTMMHUNQAG-MRXNPFEDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](C[N@@H+](C)CCCc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401754029 1363088126 /nfs/dbraw/zinc/08/81/26/1363088126.db2.gz BLABQTMMHUNQAG-MRXNPFEDSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H](C[N@H+](C)CCCc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401754021 1363088173 /nfs/dbraw/zinc/08/81/73/1363088173.db2.gz BLABQTMMHUNQAG-INIZCTEOSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H](C[N@@H+](C)CCCc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001401754021 1363088177 /nfs/dbraw/zinc/08/81/77/1363088177.db2.gz BLABQTMMHUNQAG-INIZCTEOSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769745 1363106382 /nfs/dbraw/zinc/10/63/82/1363106382.db2.gz NFGMLVGEAXJNDV-FWVUHSSSSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[N@@H+](C)C/C=C/c1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001401769745 1363106386 /nfs/dbraw/zinc/10/63/86/1363106386.db2.gz NFGMLVGEAXJNDV-FWVUHSSSSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001401772709 1363111435 /nfs/dbraw/zinc/11/14/35/1363111435.db2.gz RYURSJWNRKGJRM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001401772709 1363111438 /nfs/dbraw/zinc/11/14/38/1363111438.db2.gz RYURSJWNRKGJRM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CN(C)Cc1cc2ccccc2o1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401779876 1363119644 /nfs/dbraw/zinc/11/96/44/1363119644.db2.gz XFCNRCOGZMKNNU-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001401792563 1363135998 /nfs/dbraw/zinc/13/59/98/1363135998.db2.gz CHJMJNHVPFKJOC-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001401792563 1363136003 /nfs/dbraw/zinc/13/60/03/1363136003.db2.gz CHJMJNHVPFKJOC-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001401798887 1363145525 /nfs/dbraw/zinc/14/55/25/1363145525.db2.gz OXGXGRFEPQAMOX-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001401798887 1363145528 /nfs/dbraw/zinc/14/55/28/1363145528.db2.gz OXGXGRFEPQAMOX-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001401803420 1363151945 /nfs/dbraw/zinc/15/19/45/1363151945.db2.gz PLJULOOIAAZEQO-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001401803420 1363151947 /nfs/dbraw/zinc/15/19/47/1363151947.db2.gz PLJULOOIAAZEQO-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001401815372 1363165403 /nfs/dbraw/zinc/16/54/03/1363165403.db2.gz DSXGDCZQGHRTBG-MJGOQNOKSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001401844081 1363181566 /nfs/dbraw/zinc/18/15/66/1363181566.db2.gz UKMVGOSRHGOVKZ-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](NC(=O)CN(C)CC(C)(C)C)C2CC2)c1 ZINC001401859935 1363195179 /nfs/dbraw/zinc/19/51/79/1363195179.db2.gz CVUBWWMHVDQFME-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)[C@@H](CC)C1 ZINC001401873937 1363205187 /nfs/dbraw/zinc/20/51/87/1363205187.db2.gz MNOBYEIQHQTWPF-PKOBYXMFSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H](CC)C1 ZINC001401879552 1363210006 /nfs/dbraw/zinc/21/00/06/1363210006.db2.gz QMKJKORHAJTSNR-PKOBYXMFSA-N 1 3 349.494 2.884 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CC/C=C\c2ccccc2)CC1 ZINC001401907585 1363232592 /nfs/dbraw/zinc/23/25/92/1363232592.db2.gz UDYFOJXFCLBHTF-FMSOUQGNSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402005103 1363324492 /nfs/dbraw/zinc/32/44/92/1363324492.db2.gz RLTGSYDVDLSYTO-LJQANCHMSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402005103 1363324493 /nfs/dbraw/zinc/32/44/93/1363324493.db2.gz RLTGSYDVDLSYTO-LJQANCHMSA-N 1 3 337.552 2.932 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(C)(NC(=O)CN(C)C2CCC2)CC1 ZINC001402079248 1363383723 /nfs/dbraw/zinc/38/37/23/1363383723.db2.gz VQYTVFOIFLNJHU-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001402086645 1363390109 /nfs/dbraw/zinc/39/01/09/1363390109.db2.gz BVKATOXARFGSGF-IBGZPJMESA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1)N(C)C ZINC001402087338 1363391231 /nfs/dbraw/zinc/39/12/31/1363391231.db2.gz FCXMWNBLWGYUBA-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001402117702 1363422635 /nfs/dbraw/zinc/42/26/35/1363422635.db2.gz IQCAWNXAJJKXQE-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001402183062 1363489563 /nfs/dbraw/zinc/48/95/63/1363489563.db2.gz XQHGLIIUHRYUIU-NRFANRHFSA-N 1 3 345.531 2.973 20 0 EFADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)C1CCC1 ZINC001402311454 1363598696 /nfs/dbraw/zinc/59/86/96/1363598696.db2.gz KYWRNBBOIXDOLA-GOSISDBHSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)c1)C1CC1)N(C)C ZINC001402328077 1363608670 /nfs/dbraw/zinc/60/86/70/1363608670.db2.gz TUVWVPOUFOUBPS-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001402430475 1363687633 /nfs/dbraw/zinc/68/76/33/1363687633.db2.gz BTOFPTBIWOYMPT-QXCZDIPSSA-N 1 3 337.552 2.978 20 0 EFADHO CC[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001402430475 1363687638 /nfs/dbraw/zinc/68/76/38/1363687638.db2.gz BTOFPTBIWOYMPT-QXCZDIPSSA-N 1 3 337.552 2.978 20 0 EFADHO C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)NCc1nccs1 ZINC001437430671 1387641730 /nfs/dbraw/zinc/64/17/30/1387641730.db2.gz ZQOBQNMTLVAXHA-AWEZNQCLSA-N 1 3 346.500 2.503 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CCC1 ZINC001402545118 1363775586 /nfs/dbraw/zinc/77/55/86/1363775586.db2.gz JXLBYFUCLQRQLT-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)cc1 ZINC001402546761 1363776984 /nfs/dbraw/zinc/77/69/84/1363776984.db2.gz MIMMFZHOIOJBDL-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)NCc1nccs1 ZINC001437430681 1387642701 /nfs/dbraw/zinc/64/27/01/1387642701.db2.gz ZQOBQNMTLVAXHA-CQSZACIVSA-N 1 3 346.500 2.503 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CCC1)N(C)C ZINC001402588440 1363816388 /nfs/dbraw/zinc/81/63/88/1363816388.db2.gz OBWZYAATLFIREB-INIZCTEOSA-N 1 3 337.533 2.834 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402660744 1363903978 /nfs/dbraw/zinc/90/39/78/1363903978.db2.gz IMNVYNMKXBEMTL-ADKAHSJRSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402660744 1363903979 /nfs/dbraw/zinc/90/39/79/1363903979.db2.gz IMNVYNMKXBEMTL-ADKAHSJRSA-N 1 3 337.552 2.839 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCc3cccs3)C2)CCC1 ZINC001402667794 1363913823 /nfs/dbraw/zinc/91/38/23/1363913823.db2.gz QFQRIQZPFXAILL-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCc3cccs3)C2)CCC1 ZINC001402667794 1363913825 /nfs/dbraw/zinc/91/38/25/1363913825.db2.gz QFQRIQZPFXAILL-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001402676712 1363925456 /nfs/dbraw/zinc/92/54/56/1363925456.db2.gz KIRHSIRDFLAPAA-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001402676712 1363925464 /nfs/dbraw/zinc/92/54/64/1363925464.db2.gz KIRHSIRDFLAPAA-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001402682292 1363931693 /nfs/dbraw/zinc/93/16/93/1363931693.db2.gz PBQHWEGXGTXRRH-MSOLQXFVSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001402682292 1363931695 /nfs/dbraw/zinc/93/16/95/1363931695.db2.gz PBQHWEGXGTXRRH-MSOLQXFVSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001402682312 1363932114 /nfs/dbraw/zinc/93/21/14/1363932114.db2.gz PBQHWEGXGTXRRH-QZTJIDSGSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001402682312 1363932117 /nfs/dbraw/zinc/93/21/17/1363932117.db2.gz PBQHWEGXGTXRRH-QZTJIDSGSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001402689641 1363938694 /nfs/dbraw/zinc/93/86/94/1363938694.db2.gz GMUDHNKCBJSZCN-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C2)CCC1 ZINC001402697705 1363945557 /nfs/dbraw/zinc/94/55/57/1363945557.db2.gz ONZOMTBIPRLAMX-CKXDQPNJSA-N 1 3 348.318 2.618 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001402779770 1364027094 /nfs/dbraw/zinc/02/70/94/1364027094.db2.gz GLLUKOBQBCBVHJ-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001402792867 1364039584 /nfs/dbraw/zinc/03/95/84/1364039584.db2.gz UEZRXYULXCDMAR-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001402800399 1364048239 /nfs/dbraw/zinc/04/82/39/1364048239.db2.gz DNGGPEDWMSPOGL-LFZDHENXSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001402800399 1364048243 /nfs/dbraw/zinc/04/82/43/1364048243.db2.gz DNGGPEDWMSPOGL-LFZDHENXSA-N 1 3 343.515 2.689 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC001402813131 1364059674 /nfs/dbraw/zinc/05/96/74/1364059674.db2.gz KLKFZELQYVENRD-LSDHHAIUSA-N 1 3 349.441 2.784 20 0 EFADHO CCCCN1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001402861301 1364098740 /nfs/dbraw/zinc/09/87/40/1364098740.db2.gz CAQLMUFKZZHGJS-IBGZPJMESA-N 1 3 331.504 2.844 20 0 EFADHO CCCCN1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001402861304 1364098801 /nfs/dbraw/zinc/09/88/01/1364098801.db2.gz CAQLMUFKZZHGJS-LJQANCHMSA-N 1 3 331.504 2.844 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402891687 1364113830 /nfs/dbraw/zinc/11/38/30/1364113830.db2.gz SGPPELFPODCNSH-JEJOPICUSA-N 1 3 343.943 2.886 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402891687 1364113833 /nfs/dbraw/zinc/11/38/33/1364113833.db2.gz SGPPELFPODCNSH-JEJOPICUSA-N 1 3 343.943 2.886 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001402906739 1364123330 /nfs/dbraw/zinc/12/33/30/1364123330.db2.gz FWTNWEJPWYXTIT-YOEHRIQHSA-N 1 3 339.911 2.829 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001402914295 1364129411 /nfs/dbraw/zinc/12/94/11/1364129411.db2.gz XAOXODMEETXBCC-KUHUBIRLSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001437462985 1387666623 /nfs/dbraw/zinc/66/66/23/1387666623.db2.gz KZVJENJPIRVPNX-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001437462985 1387666632 /nfs/dbraw/zinc/66/66/32/1387666632.db2.gz KZVJENJPIRVPNX-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001403078650 1364281580 /nfs/dbraw/zinc/28/15/80/1364281580.db2.gz ZJLASFNCXVGGCB-CRAIPNDOSA-N 1 3 329.488 2.643 20 0 EFADHO Cc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001403084756 1364289892 /nfs/dbraw/zinc/28/98/92/1364289892.db2.gz BBYQVEXEUJZUKM-UHFFFAOYSA-N 1 3 328.460 2.535 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001403086397 1364291936 /nfs/dbraw/zinc/29/19/36/1364291936.db2.gz PEUXOSBKZLQQBL-NHYWBVRUSA-N 1 3 346.302 2.928 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001403091652 1364296914 /nfs/dbraw/zinc/29/69/14/1364296914.db2.gz OSBMOCFPPHUSLE-UHFFFAOYSA-N 1 3 342.487 2.843 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001403125812 1364339173 /nfs/dbraw/zinc/33/91/73/1364339173.db2.gz DPZMESCPZYWLAH-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001403125812 1364339178 /nfs/dbraw/zinc/33/91/78/1364339178.db2.gz DPZMESCPZYWLAH-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1ccccc1 ZINC001403146394 1364364073 /nfs/dbraw/zinc/36/40/73/1364364073.db2.gz XFUQDQVXEAQOJA-QGZVFWFLSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1ccccc1 ZINC001403146394 1364364076 /nfs/dbraw/zinc/36/40/76/1364364076.db2.gz XFUQDQVXEAQOJA-QGZVFWFLSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccccc1 ZINC001403252734 1364464432 /nfs/dbraw/zinc/46/44/32/1364464432.db2.gz DRELSUGSAIRAHS-GOSISDBHSA-N 1 3 328.460 2.615 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccccc1F ZINC001403258176 1364470012 /nfs/dbraw/zinc/47/00/12/1364470012.db2.gz NCOSKIQMEMHXSR-GOSISDBHSA-N 1 3 346.450 2.754 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001403290345 1364505590 /nfs/dbraw/zinc/50/55/90/1364505590.db2.gz KNSONYQUVHTNIX-ROUUACIJSA-N 1 3 347.478 2.827 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001403319462 1364536823 /nfs/dbraw/zinc/53/68/23/1364536823.db2.gz SQQYMYLCIHXFJZ-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001403319462 1364536826 /nfs/dbraw/zinc/53/68/26/1364536826.db2.gz SQQYMYLCIHXFJZ-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001403462066 1364664086 /nfs/dbraw/zinc/66/40/86/1364664086.db2.gz HCGQIBUMNNLPOD-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001403471683 1364676554 /nfs/dbraw/zinc/67/65/54/1364676554.db2.gz ZCZIBAXTGTXBML-CXAGYDPISA-N 1 3 341.446 2.535 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001403505775 1364712546 /nfs/dbraw/zinc/71/25/46/1364712546.db2.gz CJKPGRSKCHVNEC-LJQANCHMSA-N 1 3 340.471 2.541 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001403566929 1364768317 /nfs/dbraw/zinc/76/83/17/1364768317.db2.gz OISSEAMCJFGZQK-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001403566929 1364768320 /nfs/dbraw/zinc/76/83/20/1364768320.db2.gz OISSEAMCJFGZQK-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403578463 1364780182 /nfs/dbraw/zinc/78/01/82/1364780182.db2.gz JRURNSJIOHCQTL-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001403591558 1364794566 /nfs/dbraw/zinc/79/45/66/1364794566.db2.gz UIKGNAWJCRTOHH-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001403596545 1364800988 /nfs/dbraw/zinc/80/09/88/1364800988.db2.gz VNMIUXBMFDQRKZ-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001403600721 1364803259 /nfs/dbraw/zinc/80/32/59/1364803259.db2.gz UYSWWGVZNHVOBD-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001403600721 1364803264 /nfs/dbraw/zinc/80/32/64/1364803264.db2.gz UYSWWGVZNHVOBD-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001403634863 1364838939 /nfs/dbraw/zinc/83/89/39/1364838939.db2.gz NFNSGFLMGPCDPR-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)CCc2ccccc2F)CC1 ZINC001403713319 1364880085 /nfs/dbraw/zinc/88/00/85/1364880085.db2.gz BULWFGTZTYMUFF-UHFFFAOYSA-N 1 3 349.494 2.537 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)Cc1ccccc1C1CC1)[NH+](C)C ZINC001403747235 1364898840 /nfs/dbraw/zinc/89/88/40/1364898840.db2.gz GOYJIDZXKIDKCP-LJQANCHMSA-N 1 3 331.504 2.698 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001403786533 1364937691 /nfs/dbraw/zinc/93/76/91/1364937691.db2.gz JXNKOLBQSJKCOL-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001403786533 1364937694 /nfs/dbraw/zinc/93/76/94/1364937694.db2.gz JXNKOLBQSJKCOL-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c1 ZINC001403813888 1364969392 /nfs/dbraw/zinc/96/93/92/1364969392.db2.gz YTCRZUNIAJKTHV-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001437518301 1387722348 /nfs/dbraw/zinc/72/23/48/1387722348.db2.gz ZFBYMZISSUHTFZ-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001437518301 1387722350 /nfs/dbraw/zinc/72/23/50/1387722350.db2.gz ZFBYMZISSUHTFZ-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001404015808 1365169073 /nfs/dbraw/zinc/16/90/73/1365169073.db2.gz ILGUAQMJUBNNRN-ACBHZAAOSA-N 1 3 331.504 2.668 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC001404017584 1365173120 /nfs/dbraw/zinc/17/31/20/1365173120.db2.gz CMLXLHXITZCQDF-TVPLGVNVSA-N 1 3 349.494 2.799 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001404023008 1365179720 /nfs/dbraw/zinc/17/97/20/1365179720.db2.gz ZCDOUJZLSHDQRA-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001404023008 1365179722 /nfs/dbraw/zinc/17/97/22/1365179722.db2.gz ZCDOUJZLSHDQRA-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)CC[N@@H+](C)CC)c1 ZINC001404029460 1365188546 /nfs/dbraw/zinc/18/85/46/1365188546.db2.gz XWYVMCXOOUSOTJ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)CC[N@H+](C)CC)c1 ZINC001404029460 1365188549 /nfs/dbraw/zinc/18/85/49/1365188549.db2.gz XWYVMCXOOUSOTJ-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)CC[N@@H+](C)CC)c1 ZINC001404029462 1365188921 /nfs/dbraw/zinc/18/89/21/1365188921.db2.gz XWYVMCXOOUSOTJ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)CC[N@H+](C)CC)c1 ZINC001404029462 1365188924 /nfs/dbraw/zinc/18/89/24/1365188924.db2.gz XWYVMCXOOUSOTJ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001404032149 1365191536 /nfs/dbraw/zinc/19/15/36/1365191536.db2.gz YTEQZTWQGBKVBG-YIZWMMSDSA-N 1 3 343.924 2.821 20 0 EFADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001437520730 1387725131 /nfs/dbraw/zinc/72/51/31/1387725131.db2.gz CNKQSSWPYMFZCA-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001404076913 1365236660 /nfs/dbraw/zinc/23/66/60/1365236660.db2.gz WDYZFJWNDKGTAN-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001404238106 1365382219 /nfs/dbraw/zinc/38/22/19/1365382219.db2.gz AAQFDSVHVQGOGO-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001404238106 1365382222 /nfs/dbraw/zinc/38/22/22/1365382222.db2.gz AAQFDSVHVQGOGO-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001404264845 1365411862 /nfs/dbraw/zinc/41/18/62/1365411862.db2.gz RRCHJSNZZAQVQR-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001404530632 1365632216 /nfs/dbraw/zinc/63/22/16/1365632216.db2.gz ZDBJQSDFHJMEPO-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001404530632 1365632221 /nfs/dbraw/zinc/63/22/21/1365632221.db2.gz ZDBJQSDFHJMEPO-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)CCc2ccc(C)cc2)C1 ZINC001404597385 1365696869 /nfs/dbraw/zinc/69/68/69/1365696869.db2.gz HQLIUMWHWXRNLO-FQEVSTJZSA-N 1 3 345.531 2.660 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001404597385 1365696876 /nfs/dbraw/zinc/69/68/76/1365696876.db2.gz HQLIUMWHWXRNLO-FQEVSTJZSA-N 1 3 345.531 2.660 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001404608560 1365709764 /nfs/dbraw/zinc/70/97/64/1365709764.db2.gz HZOMPEDZOAYUFB-PEJPJJPESA-N 1 3 349.906 2.895 20 0 EFADHO CN(C/C=C\Cl)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001404608559 1365709786 /nfs/dbraw/zinc/70/97/86/1365709786.db2.gz HZOMPEDZOAYUFB-JDZBVEAQSA-N 1 3 349.906 2.895 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCc1cccc(C)c1 ZINC001437568316 1387778593 /nfs/dbraw/zinc/77/85/93/1387778593.db2.gz AACNRLGGPIKFDP-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1cccc(C)c1 ZINC001437568316 1387778598 /nfs/dbraw/zinc/77/85/98/1387778598.db2.gz AACNRLGGPIKFDP-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001405068257 1365999424 /nfs/dbraw/zinc/99/94/24/1365999424.db2.gz MFCHDBVDASOZBL-MSOLQXFVSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001405068257 1365999430 /nfs/dbraw/zinc/99/94/30/1365999430.db2.gz MFCHDBVDASOZBL-MSOLQXFVSA-N 1 3 335.467 2.809 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001437571830 1387784583 /nfs/dbraw/zinc/78/45/83/1387784583.db2.gz YYWNNKXWCLBUNE-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405139355 1366051459 /nfs/dbraw/zinc/05/14/59/1366051459.db2.gz DUOADCJGNTUNIL-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405139355 1366051462 /nfs/dbraw/zinc/05/14/62/1366051462.db2.gz DUOADCJGNTUNIL-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001405141692 1366053317 /nfs/dbraw/zinc/05/33/17/1366053317.db2.gz GMFIVWGPQCOXMW-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCNC(=O)[C@H]1CCCCN1CC ZINC001437571830 1387784592 /nfs/dbraw/zinc/78/45/92/1387784592.db2.gz YYWNNKXWCLBUNE-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)cc1C ZINC001405332195 1366149834 /nfs/dbraw/zinc/14/98/34/1366149834.db2.gz HOCXDXATAWTWGQ-SJORKVTESA-N 1 3 339.911 2.973 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@]1(C[NH2+]CC2CCC2)CCCC[C@H]1C ZINC001405477040 1366228099 /nfs/dbraw/zinc/22/80/99/1366228099.db2.gz QMJUUJIAQVKDFW-AUUYWEPGSA-N 1 3 332.492 2.715 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C)CC1 ZINC001405526564 1366270304 /nfs/dbraw/zinc/27/03/04/1366270304.db2.gz SOZOXQQCRYIPHY-WGSAOQKQSA-N 1 3 331.504 2.854 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001405558661 1366294373 /nfs/dbraw/zinc/29/43/73/1366294373.db2.gz JGTMULIKDCOSCS-MDGVGCGJSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001405558661 1366294377 /nfs/dbraw/zinc/29/43/77/1366294377.db2.gz JGTMULIKDCOSCS-MDGVGCGJSA-N 1 3 341.927 2.832 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001405666619 1366327713 /nfs/dbraw/zinc/32/77/13/1366327713.db2.gz GSVMFOOVMYCRSA-YLJYHZDGSA-N 1 3 345.531 2.964 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001405666616 1366327744 /nfs/dbraw/zinc/32/77/44/1366327744.db2.gz GSVMFOOVMYCRSA-PXNSSMCTSA-N 1 3 345.531 2.964 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1F ZINC001405681075 1366333489 /nfs/dbraw/zinc/33/34/89/1366333489.db2.gz YIBIJJBZYDRDEE-KXBFYZLASA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCCC1)N(C)C ZINC001405758667 1366391974 /nfs/dbraw/zinc/39/19/74/1366391974.db2.gz UPDYHDZGBWXRCD-SFHVURJKSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@H](NC[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001405848446 1366460303 /nfs/dbraw/zinc/46/03/03/1366460303.db2.gz HWAFCQWJVLUPLN-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cncc(CNC[C@@H](C)N(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001405882539 1366489011 /nfs/dbraw/zinc/48/90/11/1366489011.db2.gz FAZQWTOIMRIZDY-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001405959924 1367008169 /nfs/dbraw/zinc/00/81/69/1367008169.db2.gz DGXUZGXUQANHJW-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001405976893 1367039058 /nfs/dbraw/zinc/03/90/58/1367039058.db2.gz RIEQYDSFNQGBFQ-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(F)c2)C1 ZINC001406008173 1367084878 /nfs/dbraw/zinc/08/48/78/1367084878.db2.gz VTFHFVGWNMFHIR-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001406008507 1367085477 /nfs/dbraw/zinc/08/54/77/1367085477.db2.gz VYMLFVUAWSYWSG-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC=C(Cl)Cl ZINC001406046057 1367139759 /nfs/dbraw/zinc/13/97/59/1367139759.db2.gz VJEOTFKRYRWCDN-LBPRGKRZSA-N 1 3 336.307 2.520 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC=C(Cl)Cl ZINC001406046050 1367139900 /nfs/dbraw/zinc/13/99/00/1367139900.db2.gz VJEOTFKRYRWCDN-GFCCVEGCSA-N 1 3 336.307 2.520 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406078100 1367192458 /nfs/dbraw/zinc/19/24/58/1367192458.db2.gz LKTFMRFZWSCEBV-UZLBHIALSA-N 1 3 343.515 2.721 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001406078100 1367192464 /nfs/dbraw/zinc/19/24/64/1367192464.db2.gz LKTFMRFZWSCEBV-UZLBHIALSA-N 1 3 343.515 2.721 20 0 EFADHO CN(CC[N@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCN1C ZINC001406079018 1367195122 /nfs/dbraw/zinc/19/51/22/1367195122.db2.gz ORRJPJOKMZZBBH-IBGZPJMESA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCN1C ZINC001406079018 1367195125 /nfs/dbraw/zinc/19/51/25/1367195125.db2.gz ORRJPJOKMZZBBH-IBGZPJMESA-N 1 3 329.488 2.548 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001406148812 1367320988 /nfs/dbraw/zinc/32/09/88/1367320988.db2.gz DZQBNXISTFQVQY-IBGZPJMESA-N 1 3 333.520 2.514 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001406148812 1367320994 /nfs/dbraw/zinc/32/09/94/1367320994.db2.gz DZQBNXISTFQVQY-IBGZPJMESA-N 1 3 333.520 2.514 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001406184776 1367382524 /nfs/dbraw/zinc/38/25/24/1367382524.db2.gz NANOBCIWGGERBD-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001406184776 1367382531 /nfs/dbraw/zinc/38/25/31/1367382531.db2.gz NANOBCIWGGERBD-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001406300702 1367452738 /nfs/dbraw/zinc/45/27/38/1367452738.db2.gz AGYRCLBVYQUUSA-RHSMWYFYSA-N 1 3 328.460 2.896 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001406310827 1367465394 /nfs/dbraw/zinc/46/53/94/1367465394.db2.gz PWRSRODDHLTHPG-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001406399393 1367546860 /nfs/dbraw/zinc/54/68/60/1367546860.db2.gz KDOGPWBAQIBYDQ-OAHLLOKOSA-N 1 3 337.483 2.706 20 0 EFADHO Cc1cccnc1CNC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001406523497 1367682739 /nfs/dbraw/zinc/68/27/39/1367682739.db2.gz ZVTMTYBIVMNWNY-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccnc1CNC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001406523497 1367682747 /nfs/dbraw/zinc/68/27/47/1367682747.db2.gz ZVTMTYBIVMNWNY-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1cccc(C)c1 ZINC001437650629 1387893184 /nfs/dbraw/zinc/89/31/84/1387893184.db2.gz NPWYARDLKCTDLV-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(C)c1 ZINC001437650629 1387893188 /nfs/dbraw/zinc/89/31/88/1387893188.db2.gz NPWYARDLKCTDLV-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)NC(=O)CCC[NH+]1CCCC1 ZINC001406559241 1367725859 /nfs/dbraw/zinc/72/58/59/1367725859.db2.gz LFCWWACWQOSVPD-INIZCTEOSA-N 1 3 343.471 2.903 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001406646962 1367860589 /nfs/dbraw/zinc/86/05/89/1367860589.db2.gz HGFWLJKANVRUSH-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO C[C@H](CN(C)Cc1ccc2ncccc2c1)NC(=O)CCC[NH+](C)C ZINC001406656745 1367876282 /nfs/dbraw/zinc/87/62/82/1367876282.db2.gz YVYGCPNHBJEKAU-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001406660820 1367882763 /nfs/dbraw/zinc/88/27/63/1367882763.db2.gz FQCSLTURHOQNGZ-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001406660820 1367882766 /nfs/dbraw/zinc/88/27/66/1367882766.db2.gz FQCSLTURHOQNGZ-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001406698972 1367942936 /nfs/dbraw/zinc/94/29/36/1367942936.db2.gz RUEYYZABWHIYKF-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001406698972 1367942940 /nfs/dbraw/zinc/94/29/40/1367942940.db2.gz RUEYYZABWHIYKF-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001406780664 1368040846 /nfs/dbraw/zinc/04/08/46/1368040846.db2.gz PNNXWFUCSGRRKX-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@H](CC)C1 ZINC001406805214 1368077913 /nfs/dbraw/zinc/07/79/13/1368077913.db2.gz JNTLUTICCDHBRN-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001406925124 1368219723 /nfs/dbraw/zinc/21/97/23/1368219723.db2.gz MRZUEXUPDKCFAM-LJQANCHMSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001406956738 1368247106 /nfs/dbraw/zinc/24/71/06/1368247106.db2.gz MFPWUKXEHDILQZ-GOSISDBHSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2cccc(F)c2)CC1 ZINC001406956738 1368247113 /nfs/dbraw/zinc/24/71/13/1368247113.db2.gz MFPWUKXEHDILQZ-GOSISDBHSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001407035148 1368359370 /nfs/dbraw/zinc/35/93/70/1368359370.db2.gz VXIBNQJRGGSVRK-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001407035148 1368359376 /nfs/dbraw/zinc/35/93/76/1368359376.db2.gz VXIBNQJRGGSVRK-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001407108870 1368434441 /nfs/dbraw/zinc/43/44/41/1368434441.db2.gz IZVCFKQFVWYLKB-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001407124301 1368455562 /nfs/dbraw/zinc/45/55/62/1368455562.db2.gz UWMGCNGLPJRZFK-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001407235472 1368627114 /nfs/dbraw/zinc/62/71/14/1368627114.db2.gz JVOPDCKZPIFHHJ-ICSRJNTNSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001407243152 1368638526 /nfs/dbraw/zinc/63/85/26/1368638526.db2.gz UCDXYLIXMROCAB-FPOVZHCZSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001407267927 1368678173 /nfs/dbraw/zinc/67/81/73/1368678173.db2.gz OZCRJSRZIADUCO-FQEVSTJZSA-N 1 3 331.504 2.665 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001437719031 1387965431 /nfs/dbraw/zinc/96/54/31/1387965431.db2.gz ULSUVQOXQDOJHH-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001437719031 1387965438 /nfs/dbraw/zinc/96/54/38/1387965438.db2.gz ULSUVQOXQDOJHH-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001437721501 1387968587 /nfs/dbraw/zinc/96/85/87/1387968587.db2.gz YMTYBDLCIKTBIX-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001437721501 1387968594 /nfs/dbraw/zinc/96/85/94/1387968594.db2.gz YMTYBDLCIKTBIX-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407522096 1368937155 /nfs/dbraw/zinc/93/71/55/1368937155.db2.gz MWBPBJGVUPPNLP-AEFFLSMTSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F)N(C)C ZINC001407539696 1368958374 /nfs/dbraw/zinc/95/83/74/1368958374.db2.gz ZYUKDFCGHPMWGV-XGUBFFRZSA-N 1 3 349.441 2.638 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F)N(C)C ZINC001407539696 1368958376 /nfs/dbraw/zinc/95/83/76/1368958376.db2.gz ZYUKDFCGHPMWGV-XGUBFFRZSA-N 1 3 349.441 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001407541733 1368961273 /nfs/dbraw/zinc/96/12/73/1368961273.db2.gz ZTRNJLXVCPJKOL-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1)CC(C)(C)C ZINC001407799317 1369247647 /nfs/dbraw/zinc/24/76/47/1369247647.db2.gz IEFSPBHVKZAFIY-UHFFFAOYSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001437742893 1387993248 /nfs/dbraw/zinc/99/32/48/1387993248.db2.gz QYVLSICTXSICBU-IAGOWNOFSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001437742893 1387993249 /nfs/dbraw/zinc/99/32/49/1387993249.db2.gz QYVLSICTXSICBU-IAGOWNOFSA-N 1 3 340.471 2.768 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001437743065 1387994961 /nfs/dbraw/zinc/99/49/61/1387994961.db2.gz UHRRKRQZSFWPKN-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001437743065 1387994965 /nfs/dbraw/zinc/99/49/65/1387994965.db2.gz UHRRKRQZSFWPKN-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001408010526 1369525080 /nfs/dbraw/zinc/52/50/80/1369525080.db2.gz PQKAOCAGZQVGQB-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1C(C)C ZINC001408010526 1369525085 /nfs/dbraw/zinc/52/50/85/1369525085.db2.gz PQKAOCAGZQVGQB-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001408167895 1369670649 /nfs/dbraw/zinc/67/06/49/1369670649.db2.gz FRJGSWBMJUKPEJ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001408167895 1369670651 /nfs/dbraw/zinc/67/06/51/1369670651.db2.gz FRJGSWBMJUKPEJ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001408179851 1369685606 /nfs/dbraw/zinc/68/56/06/1369685606.db2.gz PGAQTULURSCPDQ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@@H](C)C1 ZINC001408179851 1369685612 /nfs/dbraw/zinc/68/56/12/1369685612.db2.gz PGAQTULURSCPDQ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001408179901 1369685650 /nfs/dbraw/zinc/68/56/50/1369685650.db2.gz PGAQTULURSCPDQ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001408179901 1369685657 /nfs/dbraw/zinc/68/56/57/1369685657.db2.gz PGAQTULURSCPDQ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001408200229 1369707510 /nfs/dbraw/zinc/70/75/10/1369707510.db2.gz ZPMVKPTTXLQDFW-ZBZNSMLMSA-N 1 3 329.488 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001408249306 1369751282 /nfs/dbraw/zinc/75/12/82/1369751282.db2.gz KNIIXHVPJVXNMM-KSSFIOAISA-N 1 3 340.471 2.823 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001408345720 1369854439 /nfs/dbraw/zinc/85/44/39/1369854439.db2.gz WWTXFFSZBNRELH-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1 ZINC001408345720 1369854442 /nfs/dbraw/zinc/85/44/42/1369854442.db2.gz WWTXFFSZBNRELH-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001500376337 1403082472 /nfs/dbraw/zinc/08/24/72/1403082472.db2.gz LABPNZIKNZDTPQ-MJGOQNOKSA-N 1 3 325.541 2.837 20 0 EFADHO CN1CCC[C@@]2(CC[N@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C2)C1 ZINC001414164956 1370059212 /nfs/dbraw/zinc/05/92/12/1370059212.db2.gz VRGQWSSNDIHQSP-LJQANCHMSA-N 1 3 329.419 2.997 20 0 EFADHO CN1CCC[C@@]2(CC[N@@H+](Cc3cc4ccc(F)cc4[nH]c3=O)C2)C1 ZINC001414164956 1370059220 /nfs/dbraw/zinc/05/92/20/1370059220.db2.gz VRGQWSSNDIHQSP-LJQANCHMSA-N 1 3 329.419 2.997 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552488 1370429925 /nfs/dbraw/zinc/42/99/25/1370429925.db2.gz HNCYSLXAEPTWNZ-PKOBYXMFSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552488 1370429935 /nfs/dbraw/zinc/42/99/35/1370429935.db2.gz HNCYSLXAEPTWNZ-PKOBYXMFSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccccc1C[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001437788701 1388073419 /nfs/dbraw/zinc/07/34/19/1388073419.db2.gz BEUNLYQTFRXASW-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1C[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001437788701 1388073428 /nfs/dbraw/zinc/07/34/28/1388073428.db2.gz BEUNLYQTFRXASW-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1CN(CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001437788560 1388073503 /nfs/dbraw/zinc/07/35/03/1388073503.db2.gz ACKRQHWMOPDQIA-UHFFFAOYSA-N 1 3 341.499 2.704 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001414578595 1370468786 /nfs/dbraw/zinc/46/87/86/1370468786.db2.gz RPNUKUSMNNCMNZ-FQEVSTJZSA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001414578595 1370468788 /nfs/dbraw/zinc/46/87/88/1370468788.db2.gz RPNUKUSMNNCMNZ-FQEVSTJZSA-N 1 3 346.519 2.682 20 0 EFADHO Cc1cccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001437791552 1388074408 /nfs/dbraw/zinc/07/44/08/1388074408.db2.gz KPRFLTHYXYUWLV-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001437791552 1388074414 /nfs/dbraw/zinc/07/44/14/1388074414.db2.gz KPRFLTHYXYUWLV-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CN(C[C@@H]1CCN1[C@@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001417742755 1373198582 /nfs/dbraw/zinc/19/85/82/1373198582.db2.gz ANHORQXWVCWPGI-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001417775713 1373240930 /nfs/dbraw/zinc/24/09/30/1373240930.db2.gz UVWFRHDITMFHPA-UNEWFSDZSA-N 1 3 326.444 2.506 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001417775704 1373241167 /nfs/dbraw/zinc/24/11/67/1373241167.db2.gz UVWFRHDITMFHPA-JLJPHGGASA-N 1 3 326.444 2.506 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2)C1)N(C)C ZINC001417786583 1373252374 /nfs/dbraw/zinc/25/23/74/1373252374.db2.gz BPQXHNNARSSFQS-DSLXNQLJSA-N 1 3 331.504 2.962 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1)c1ccccc1 ZINC001417786586 1373252648 /nfs/dbraw/zinc/25/26/48/1373252648.db2.gz BPQXHNNARSSFQS-NXWXRZEISA-N 1 3 331.504 2.962 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001417793516 1373259701 /nfs/dbraw/zinc/25/97/01/1373259701.db2.gz ZBEFHJAAZTYXFM-SAABIXHNSA-N 1 3 349.494 2.788 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001417801661 1373270297 /nfs/dbraw/zinc/27/02/97/1373270297.db2.gz LZCVXIYITVFBPW-KOMQPUFPSA-N 1 3 337.895 2.666 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001417801661 1373270300 /nfs/dbraw/zinc/27/03/00/1373270300.db2.gz LZCVXIYITVFBPW-KOMQPUFPSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001417801897 1373271050 /nfs/dbraw/zinc/27/10/50/1373271050.db2.gz QKIBLLXUTFSWPF-ZVZYQTTQSA-N 1 3 340.471 2.815 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1cccc(F)c1 ZINC001417822255 1373296675 /nfs/dbraw/zinc/29/66/75/1373296675.db2.gz MDIOCBKOGOHIQG-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1cccc(F)c1 ZINC001417822255 1373296679 /nfs/dbraw/zinc/29/66/79/1373296679.db2.gz MDIOCBKOGOHIQG-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001417913622 1373410272 /nfs/dbraw/zinc/41/02/72/1373410272.db2.gz UNTRDDSMKXWKNB-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001417914320 1373411347 /nfs/dbraw/zinc/41/13/47/1373411347.db2.gz PJXRTYKWQTWPKN-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001417951772 1373443132 /nfs/dbraw/zinc/44/31/32/1373443132.db2.gz CMORGRJCWBAMPM-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCc1cccs1)CC2 ZINC001417952996 1373445276 /nfs/dbraw/zinc/44/52/76/1373445276.db2.gz HRYFCZPMUDRSRE-QGZVFWFLSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c(C)s1 ZINC001417953587 1373445530 /nfs/dbraw/zinc/44/55/30/1373445530.db2.gz MHZSVEATGCCORG-SFHVURJKSA-N 1 3 349.544 2.931 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@H](NC/C=C\Cl)C1)C1CCCCC1 ZINC001418045730 1373557719 /nfs/dbraw/zinc/55/77/19/1373557719.db2.gz XEFLZTMWQJKIRY-ANOSYLROSA-N 1 3 327.900 2.584 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@H](NC/C=C\Cl)C1)C1CCCCC1 ZINC001418045730 1373557721 /nfs/dbraw/zinc/55/77/21/1373557721.db2.gz XEFLZTMWQJKIRY-ANOSYLROSA-N 1 3 327.900 2.584 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1)N(C)C ZINC001418065532 1373571801 /nfs/dbraw/zinc/57/18/01/1373571801.db2.gz WHIGWBCDSXVMBT-DZKIICNBSA-N 1 3 341.858 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001418067231 1373573101 /nfs/dbraw/zinc/57/31/01/1373573101.db2.gz YITFJTXCBPGOQO-ZHALLVOQSA-N 1 3 346.519 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001418074077 1373578195 /nfs/dbraw/zinc/57/81/95/1373578195.db2.gz QSMDNKSLQOFDCJ-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@@H](C)c2cc(F)ccc2F)C1 ZINC001418074077 1373578200 /nfs/dbraw/zinc/57/82/00/1373578200.db2.gz QSMDNKSLQOFDCJ-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001418143907 1373671187 /nfs/dbraw/zinc/67/11/87/1373671187.db2.gz WSOQVASFAKHOJP-IBGZPJMESA-N 1 3 345.531 2.993 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001418174500 1373730738 /nfs/dbraw/zinc/73/07/38/1373730738.db2.gz MCRODBNBDQQHLX-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180038 1373741216 /nfs/dbraw/zinc/74/12/16/1373741216.db2.gz PZGGRDDCYQWRNA-OVIIUWAXSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180038 1373741222 /nfs/dbraw/zinc/74/12/22/1373741222.db2.gz PZGGRDDCYQWRNA-OVIIUWAXSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001418236024 1373790892 /nfs/dbraw/zinc/79/08/92/1373790892.db2.gz PAQRUEKHFHXANJ-WMZOPIPTSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001418336167 1373914770 /nfs/dbraw/zinc/91/47/70/1373914770.db2.gz QYQAYNTZVWTNBY-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1sccc1Cl ZINC001418404352 1373985307 /nfs/dbraw/zinc/98/53/07/1373985307.db2.gz VGZRAPGCDZXYPV-GFCCVEGCSA-N 1 3 343.924 2.870 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001437981696 1388291963 /nfs/dbraw/zinc/29/19/63/1388291963.db2.gz RUZASWHOMPQESK-DZFYGRHCSA-N 1 3 341.927 2.784 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001418462122 1374051510 /nfs/dbraw/zinc/05/15/10/1374051510.db2.gz MBULSJDECVRZJQ-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001418462122 1374051514 /nfs/dbraw/zinc/05/15/14/1374051514.db2.gz MBULSJDECVRZJQ-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418462631 1374051729 /nfs/dbraw/zinc/05/17/29/1374051729.db2.gz VMFWMGCQYAMONO-JJRVBVJISA-N 1 3 337.895 2.789 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418462631 1374051732 /nfs/dbraw/zinc/05/17/32/1374051732.db2.gz VMFWMGCQYAMONO-JJRVBVJISA-N 1 3 337.895 2.789 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC001418492326 1374088607 /nfs/dbraw/zinc/08/86/07/1374088607.db2.gz CDKAVLZXSFTIMI-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)C/C=C/Cl)C2)c1 ZINC001437990437 1388303708 /nfs/dbraw/zinc/30/37/08/1388303708.db2.gz NEIYOVJBFHHOLB-MPNRVQBSSA-N 1 3 349.906 2.895 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)C/C=C/Cl)C2)c1 ZINC001437990437 1388303714 /nfs/dbraw/zinc/30/37/14/1388303714.db2.gz NEIYOVJBFHHOLB-MPNRVQBSSA-N 1 3 349.906 2.895 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(F)cc1C ZINC001418587970 1374228904 /nfs/dbraw/zinc/22/89/04/1374228904.db2.gz NNFFCWSXEYZVJY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(F)cc1C ZINC001418587970 1374228907 /nfs/dbraw/zinc/22/89/07/1374228907.db2.gz NNFFCWSXEYZVJY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001418598777 1374248361 /nfs/dbraw/zinc/24/83/61/1374248361.db2.gz WYDUVJRDYINPIJ-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H](C)c1ccccc1C ZINC001418598777 1374248365 /nfs/dbraw/zinc/24/83/65/1374248365.db2.gz WYDUVJRDYINPIJ-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001418627604 1374289329 /nfs/dbraw/zinc/28/93/29/1374289329.db2.gz GJACRAULBURKMQ-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001418643434 1374313439 /nfs/dbraw/zinc/31/34/39/1374313439.db2.gz YAIZQYNWHPCODM-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1ccc(CF)cc1 ZINC001418643434 1374313449 /nfs/dbraw/zinc/31/34/49/1374313449.db2.gz YAIZQYNWHPCODM-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001418647423 1374318367 /nfs/dbraw/zinc/31/83/67/1374318367.db2.gz ZDSFNVZOJHRSGP-MOXGXCLJSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001418656686 1374330604 /nfs/dbraw/zinc/33/06/04/1374330604.db2.gz JOKYMAXACUDOSN-HYVNUMGLSA-N 1 3 337.895 2.665 20 0 EFADHO CCc1cccc(C[N@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001418790715 1374505911 /nfs/dbraw/zinc/50/59/11/1374505911.db2.gz XSUSNDVEFMLRME-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[N@@H+](CCNC(=O)CN2CC[C@@H](C)C2)C2CC2)c1 ZINC001418790715 1374505916 /nfs/dbraw/zinc/50/59/16/1374505916.db2.gz XSUSNDVEFMLRME-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438020137 1388323027 /nfs/dbraw/zinc/32/30/27/1388323027.db2.gz ASIHSFOFBIOKRR-RCCFBDPRSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438020137 1388323034 /nfs/dbraw/zinc/32/30/34/1388323034.db2.gz ASIHSFOFBIOKRR-RCCFBDPRSA-N 1 3 325.541 2.835 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001418825018 1374546524 /nfs/dbraw/zinc/54/65/24/1374546524.db2.gz GVGQRZUYHOUWCU-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)N(C)C ZINC001418855523 1374579744 /nfs/dbraw/zinc/57/97/44/1374579744.db2.gz PXDFYIIPIWADSS-MOPGFXCFSA-N 1 3 331.504 2.820 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001418910699 1374676558 /nfs/dbraw/zinc/67/65/58/1374676558.db2.gz FEZTXJYKMGWMKW-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC001418910699 1374676560 /nfs/dbraw/zinc/67/65/60/1374676560.db2.gz FEZTXJYKMGWMKW-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCc3cccs3)C2)CCC1 ZINC001418926688 1374691668 /nfs/dbraw/zinc/69/16/68/1374691668.db2.gz AGBXYEHMIGZKAU-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCc3cccs3)C2)CCC1 ZINC001418926688 1374691675 /nfs/dbraw/zinc/69/16/75/1374691675.db2.gz AGBXYEHMIGZKAU-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934515 1374701580 /nfs/dbraw/zinc/70/15/80/1374701580.db2.gz WVPJONZOHDRRFY-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934515 1374701582 /nfs/dbraw/zinc/70/15/82/1374701582.db2.gz WVPJONZOHDRRFY-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001419031139 1374775843 /nfs/dbraw/zinc/77/58/43/1374775843.db2.gz JHPILQPQCRWTPP-QGZVFWFLSA-N 1 3 343.515 2.836 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419063575 1374804098 /nfs/dbraw/zinc/80/40/98/1374804098.db2.gz MFCHDBVDASOZBL-ROUUACIJSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001419063575 1374804101 /nfs/dbraw/zinc/80/41/01/1374804101.db2.gz MFCHDBVDASOZBL-ROUUACIJSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001419141766 1374890606 /nfs/dbraw/zinc/89/06/06/1374890606.db2.gz POWGEHNWNCAVMB-AZUAARDMSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001419141766 1374890608 /nfs/dbraw/zinc/89/06/08/1374890608.db2.gz POWGEHNWNCAVMB-AZUAARDMSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001419191059 1374937099 /nfs/dbraw/zinc/93/70/99/1374937099.db2.gz JBTULELBONKGAS-IBGZPJMESA-N 1 3 343.515 2.644 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)ccc1C ZINC001419193015 1374939345 /nfs/dbraw/zinc/93/93/45/1374939345.db2.gz IGONMYGAVNOWIJ-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC001419252236 1374999246 /nfs/dbraw/zinc/99/92/46/1374999246.db2.gz BHJWSFSLBJFZPT-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001419374757 1375187931 /nfs/dbraw/zinc/18/79/31/1375187931.db2.gz BNCZMESDQMDQCY-WGSAOQKQSA-N 1 3 349.494 2.993 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](CCCF)CC1)CC(C)(C)C ZINC001419397598 1375221134 /nfs/dbraw/zinc/22/11/34/1375221134.db2.gz QXFPNIABWKZOOV-UHFFFAOYSA-N 1 3 329.504 2.542 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1)CC(C)(C)C ZINC001419431508 1375264398 /nfs/dbraw/zinc/26/43/98/1375264398.db2.gz DGAUQIRCYWXPQV-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1)CC(C)(C)C ZINC001419431508 1375264404 /nfs/dbraw/zinc/26/44/04/1375264404.db2.gz DGAUQIRCYWXPQV-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2Cl)C1 ZINC001419437173 1375272046 /nfs/dbraw/zinc/27/20/46/1375272046.db2.gz JJXVHUQGHJVMPL-SHTZXODSSA-N 1 3 337.895 2.727 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]Cc1cccc(F)c1 ZINC001419506341 1375357423 /nfs/dbraw/zinc/35/74/23/1375357423.db2.gz CDXSYPPAJBJIHL-IRXDYDNUSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC001419524925 1375387450 /nfs/dbraw/zinc/38/74/50/1375387450.db2.gz HMFIVPOGJVAQJN-UKRRQHHQSA-N 1 3 328.460 2.672 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001419532102 1375399841 /nfs/dbraw/zinc/39/98/41/1375399841.db2.gz UZPCRRWIFPFJQG-VQIMIIECSA-N 1 3 331.504 2.748 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001419554156 1375442164 /nfs/dbraw/zinc/44/21/64/1375442164.db2.gz XNUSGQWFUQLUDZ-HSSRVXSRSA-N 1 3 343.515 2.870 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629520 1375588383 /nfs/dbraw/zinc/58/83/83/1375588383.db2.gz ZHCIAYOLYFYJPV-YOEHRIQHSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629520 1375588390 /nfs/dbraw/zinc/58/83/90/1375588390.db2.gz ZHCIAYOLYFYJPV-YOEHRIQHSA-N 1 3 334.508 2.914 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001419746706 1375805920 /nfs/dbraw/zinc/80/59/20/1375805920.db2.gz LQLIGDOLCCNIKD-KRWDZBQOSA-N 1 3 331.504 2.588 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001419745938 1375806000 /nfs/dbraw/zinc/80/60/00/1375806000.db2.gz BHBQNQIWSSAVAN-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C(C)C)cc1 ZINC001419881788 1376059395 /nfs/dbraw/zinc/05/93/95/1376059395.db2.gz XASOTSOWUPOQSO-IBGZPJMESA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001419967286 1376205866 /nfs/dbraw/zinc/20/58/66/1376205866.db2.gz ORMASDVTHZULET-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001419967286 1376205872 /nfs/dbraw/zinc/20/58/72/1376205872.db2.gz ORMASDVTHZULET-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001419971395 1376212662 /nfs/dbraw/zinc/21/26/62/1376212662.db2.gz KWZMLBZJTUWSDZ-OALUTQOASA-N 1 3 349.494 2.789 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001420017656 1376290789 /nfs/dbraw/zinc/29/07/89/1376290789.db2.gz IVDDYCKCDWPAHL-DLBZAZTESA-N 1 3 335.467 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001420037249 1376343668 /nfs/dbraw/zinc/34/36/68/1376343668.db2.gz QRPCOAYGBQLFJH-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001420037249 1376343673 /nfs/dbraw/zinc/34/36/73/1376343673.db2.gz QRPCOAYGBQLFJH-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001420045338 1376368159 /nfs/dbraw/zinc/36/81/59/1376368159.db2.gz GSIGBDXERCQKLP-QUCCMNQESA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001420045338 1376368162 /nfs/dbraw/zinc/36/81/62/1376368162.db2.gz GSIGBDXERCQKLP-QUCCMNQESA-N 1 3 345.531 2.837 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001420064893 1376409026 /nfs/dbraw/zinc/40/90/26/1376409026.db2.gz YKWAJUFEMGSOFK-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001420064893 1376409032 /nfs/dbraw/zinc/40/90/32/1376409032.db2.gz YKWAJUFEMGSOFK-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001420078055 1376429511 /nfs/dbraw/zinc/42/95/11/1376429511.db2.gz OAYWLWUIDRRGHZ-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2F)C1 ZINC001420078055 1376429535 /nfs/dbraw/zinc/42/95/35/1376429535.db2.gz OAYWLWUIDRRGHZ-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)[C@H]1CCCN1C ZINC001420242814 1376603178 /nfs/dbraw/zinc/60/31/78/1376603178.db2.gz RMWBGVZXCOORDO-CXAGYDPISA-N 1 3 339.430 2.558 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420245447 1376608637 /nfs/dbraw/zinc/60/86/37/1376608637.db2.gz UJOJRSSFPWIEGQ-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420245447 1376608640 /nfs/dbraw/zinc/60/86/40/1376608640.db2.gz UJOJRSSFPWIEGQ-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001420248828 1376614713 /nfs/dbraw/zinc/61/47/13/1376614713.db2.gz GUAWHBADGKIDJR-UZLBHIALSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001420248828 1376614726 /nfs/dbraw/zinc/61/47/26/1376614726.db2.gz GUAWHBADGKIDJR-UZLBHIALSA-N 1 3 345.531 2.871 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001420302355 1376694336 /nfs/dbraw/zinc/69/43/36/1376694336.db2.gz WXDSCZIKYMUFEM-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO Cc1ccc(C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001420302355 1376694341 /nfs/dbraw/zinc/69/43/41/1376694341.db2.gz WXDSCZIKYMUFEM-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001420351620 1376785151 /nfs/dbraw/zinc/78/51/51/1376785151.db2.gz YAGUAMLCJBNXDM-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO Cc1ccc(C[N@H+](C)CCNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001420351620 1376785160 /nfs/dbraw/zinc/78/51/60/1376785160.db2.gz YAGUAMLCJBNXDM-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1C ZINC001420390982 1376866057 /nfs/dbraw/zinc/86/60/57/1376866057.db2.gz CCGLQYAEXDTWEU-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)cc1C ZINC001420390982 1376866065 /nfs/dbraw/zinc/86/60/65/1376866065.db2.gz CCGLQYAEXDTWEU-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001420428528 1376949250 /nfs/dbraw/zinc/94/92/50/1376949250.db2.gz VEJSLXZSGJGFTG-IPELMVKDSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438273064 1388473109 /nfs/dbraw/zinc/47/31/09/1388473109.db2.gz WOYMXNPDNKBRDQ-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438273064 1388473111 /nfs/dbraw/zinc/47/31/11/1388473111.db2.gz WOYMXNPDNKBRDQ-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(CC(C)C)cc1 ZINC001420444246 1376988137 /nfs/dbraw/zinc/98/81/37/1376988137.db2.gz OZXQRRUYOOITIZ-HXUWFJFHSA-N 1 3 345.531 2.775 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(CC(C)C)cc1 ZINC001420444246 1376988141 /nfs/dbraw/zinc/98/81/41/1376988141.db2.gz OZXQRRUYOOITIZ-HXUWFJFHSA-N 1 3 345.531 2.775 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CCc1cccs1 ZINC001420457299 1377009603 /nfs/dbraw/zinc/00/96/03/1377009603.db2.gz GEBVXUVIFZRIPF-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CCc1cccs1 ZINC001420457299 1377009610 /nfs/dbraw/zinc/00/96/10/1377009610.db2.gz GEBVXUVIFZRIPF-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001420491492 1377070133 /nfs/dbraw/zinc/07/01/33/1377070133.db2.gz DNBRREWXUYQLCM-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001420491492 1377070134 /nfs/dbraw/zinc/07/01/34/1377070134.db2.gz DNBRREWXUYQLCM-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001420491494 1377070410 /nfs/dbraw/zinc/07/04/10/1377070410.db2.gz DNBRREWXUYQLCM-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1[C@@H]1CCc2ccc(F)cc21 ZINC001420491494 1377070414 /nfs/dbraw/zinc/07/04/14/1377070414.db2.gz DNBRREWXUYQLCM-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CC1CC[NH+](CC(=O)NC[C@H]2CCCN2Cc2ccc(F)cc2)CC1 ZINC001420497088 1377081740 /nfs/dbraw/zinc/08/17/40/1377081740.db2.gz HCRZYPMXAUDQAA-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001420509144 1377105914 /nfs/dbraw/zinc/10/59/14/1377105914.db2.gz UWDKKWMPPCVQCC-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001420539140 1377154089 /nfs/dbraw/zinc/15/40/89/1377154089.db2.gz PWGGDUSDCSAYGB-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001420556759 1377190174 /nfs/dbraw/zinc/19/01/74/1377190174.db2.gz XUUCYVXWYQVEDV-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001420556759 1377190177 /nfs/dbraw/zinc/19/01/77/1377190177.db2.gz XUUCYVXWYQVEDV-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@@H](C[N@H+](C)CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001420577582 1377235580 /nfs/dbraw/zinc/23/55/80/1377235580.db2.gz JCBBSPOETHIUIH-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](C[N@@H+](C)CC1CC(F)(F)C1)NC(=O)C(C)(C)N1CCCCC1 ZINC001420577582 1377235586 /nfs/dbraw/zinc/23/55/86/1377235586.db2.gz JCBBSPOETHIUIH-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420582722 1377248737 /nfs/dbraw/zinc/24/87/37/1377248737.db2.gz DIJUTZWDRHRMTB-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420582722 1377248749 /nfs/dbraw/zinc/24/87/49/1377248749.db2.gz DIJUTZWDRHRMTB-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001420584969 1377254842 /nfs/dbraw/zinc/25/48/42/1377254842.db2.gz MBLBLEOBQRDLKV-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001420584969 1377254843 /nfs/dbraw/zinc/25/48/43/1377254843.db2.gz MBLBLEOBQRDLKV-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001420600761 1377292524 /nfs/dbraw/zinc/29/25/24/1377292524.db2.gz RPGVQZGSJZHIED-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001438301922 1388494144 /nfs/dbraw/zinc/49/41/44/1388494144.db2.gz JAXQVLPMAUSXTL-HNNXBMFYSA-N 1 3 345.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001420668077 1377460879 /nfs/dbraw/zinc/46/08/79/1377460879.db2.gz XUHNDCOXDBRMCW-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001420668077 1377460882 /nfs/dbraw/zinc/46/08/82/1377460882.db2.gz XUHNDCOXDBRMCW-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001420724027 1377568161 /nfs/dbraw/zinc/56/81/61/1377568161.db2.gz GLSRXMAEWWXARH-IRXDYDNUSA-N 1 3 337.895 2.716 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001420736844 1377583916 /nfs/dbraw/zinc/58/39/16/1377583916.db2.gz FAIQFSBTFMMSAD-MRXNPFEDSA-N 1 3 331.504 2.626 20 0 EFADHO CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001420845952 1377764533 /nfs/dbraw/zinc/76/45/33/1377764533.db2.gz DZSDUXUELNASJX-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001420845952 1377764538 /nfs/dbraw/zinc/76/45/38/1377764538.db2.gz DZSDUXUELNASJX-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001420871762 1377811855 /nfs/dbraw/zinc/81/18/55/1377811855.db2.gz QKXKEIATTBKNEH-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001420926339 1377890062 /nfs/dbraw/zinc/89/00/62/1377890062.db2.gz PANATILYAZVPTR-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001420926339 1377890066 /nfs/dbraw/zinc/89/00/66/1377890066.db2.gz PANATILYAZVPTR-INIZCTEOSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933046 1377901508 /nfs/dbraw/zinc/90/15/08/1377901508.db2.gz SPGRDRILZWVDCC-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1)N(C)C ZINC001420933046 1377901512 /nfs/dbraw/zinc/90/15/12/1377901512.db2.gz SPGRDRILZWVDCC-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2)CC1)N1CCCCC1 ZINC001420948797 1377925931 /nfs/dbraw/zinc/92/59/31/1377925931.db2.gz YGQNCBWZQINAJB-UHFFFAOYSA-N 1 3 329.488 2.690 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(CCF)C1CCCCCC1)[NH+](C)C ZINC001421017819 1378027518 /nfs/dbraw/zinc/02/75/18/1378027518.db2.gz ZSAFRTVQEGIRDP-QGZVFWFLSA-N 1 3 329.504 2.683 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041196 1378058382 /nfs/dbraw/zinc/05/83/82/1378058382.db2.gz UDPFYUMBDZYKFZ-APWZRJJASA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041196 1378058386 /nfs/dbraw/zinc/05/83/86/1378058386.db2.gz UDPFYUMBDZYKFZ-APWZRJJASA-N 1 3 332.492 2.559 20 0 EFADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001438352444 1388528065 /nfs/dbraw/zinc/52/80/65/1388528065.db2.gz ZOJBEJJEFXLXMB-KRWDZBQOSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@H]1CCCc2ccccc21 ZINC001438356761 1388531327 /nfs/dbraw/zinc/53/13/27/1388531327.db2.gz GLTPEMHZXWLQAI-WMZOPIPTSA-N 1 3 340.471 2.823 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C[C@H]1C ZINC001421107938 1378136843 /nfs/dbraw/zinc/13/68/43/1378136843.db2.gz PYVJGTFQSRVXKU-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001421142357 1378176729 /nfs/dbraw/zinc/17/67/29/1378176729.db2.gz PMTGLVILKJCMEJ-MSOLQXFVSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)c1ccccc1C[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001421152837 1378193260 /nfs/dbraw/zinc/19/32/60/1378193260.db2.gz GJEGBICGAORORP-KRWDZBQOSA-N 1 3 343.515 2.700 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001421256218 1378359159 /nfs/dbraw/zinc/35/91/59/1378359159.db2.gz MWZRJJJZJJQWJK-JXFKEZNVSA-N 1 3 340.471 2.850 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001421264810 1378375789 /nfs/dbraw/zinc/37/57/89/1378375789.db2.gz WGXNEUOMQABWAC-WMZOPIPTSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(OC)cc2)CCCC1)N(C)C ZINC001438392400 1388557641 /nfs/dbraw/zinc/55/76/41/1388557641.db2.gz LHXNVJZAWSVEMV-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cc(F)ccc2C)CCCC1 ZINC001438400553 1388561718 /nfs/dbraw/zinc/56/17/18/1388561718.db2.gz DEALDKFXQRTVOQ-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001421583559 1378847040 /nfs/dbraw/zinc/84/70/40/1378847040.db2.gz APOLBEOUGPZGMQ-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)CC1 ZINC001421602061 1378870202 /nfs/dbraw/zinc/87/02/02/1378870202.db2.gz LBAZIIJKKXHFBY-IYARVYRRSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H]([NH2+]CC1CC1)c1ccc(CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001421654105 1378952044 /nfs/dbraw/zinc/95/20/44/1378952044.db2.gz QAYUSZIVYAXEDD-HNNXBMFYSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001421700409 1379007952 /nfs/dbraw/zinc/00/79/52/1379007952.db2.gz LQQVLNFHQTXINI-RDTXWAMCSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001421700405 1379008062 /nfs/dbraw/zinc/00/80/62/1379008062.db2.gz LQQVLNFHQTXINI-KSSFIOAISA-N 1 3 347.478 2.639 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC2)c1 ZINC001421744884 1379069232 /nfs/dbraw/zinc/06/92/32/1379069232.db2.gz FJCGVDQREMBOOM-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001421747899 1379073815 /nfs/dbraw/zinc/07/38/15/1379073815.db2.gz PYZUJNYVSASOTN-SFHVURJKSA-N 1 3 347.478 2.829 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001421754744 1379084031 /nfs/dbraw/zinc/08/40/31/1379084031.db2.gz NLIPAZWNFOERQR-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421895802 1379318608 /nfs/dbraw/zinc/31/86/08/1379318608.db2.gz WPLCPNIANFDFHI-MRXNPFEDSA-N 1 3 328.460 2.802 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001421895802 1379318613 /nfs/dbraw/zinc/31/86/13/1379318613.db2.gz WPLCPNIANFDFHI-MRXNPFEDSA-N 1 3 328.460 2.802 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421926471 1379359872 /nfs/dbraw/zinc/35/98/72/1379359872.db2.gz GJMACENUBUWONL-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cs1 ZINC001421949395 1379395180 /nfs/dbraw/zinc/39/51/80/1379395180.db2.gz ZUHFRMBSDWCOPK-AWEZNQCLSA-N 1 3 339.549 2.971 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001421991390 1379448249 /nfs/dbraw/zinc/44/82/49/1379448249.db2.gz MHIJOBJVKRSZFI-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001422053409 1379547579 /nfs/dbraw/zinc/54/75/79/1379547579.db2.gz UBFNCQVGUDIKOO-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C)c1 ZINC001422054605 1379548833 /nfs/dbraw/zinc/54/88/33/1379548833.db2.gz FGFCTNAOYMVGPN-HKUYNNGSSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001422093920 1379602782 /nfs/dbraw/zinc/60/27/82/1379602782.db2.gz JIYFDNKSFHBATI-SFHVURJKSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1F ZINC001422094796 1379603636 /nfs/dbraw/zinc/60/36/36/1379603636.db2.gz KUYYGHBUVWNHLC-SFHVURJKSA-N 1 3 349.494 2.583 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001422095671 1379604957 /nfs/dbraw/zinc/60/49/57/1379604957.db2.gz NAXCVEDQSPHALX-YRVHBARZSA-N 1 3 343.515 2.915 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001422099913 1379610915 /nfs/dbraw/zinc/61/09/15/1379610915.db2.gz VOAZGPMACRQDFC-LJQANCHMSA-N 1 3 345.531 2.752 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001422117454 1379636061 /nfs/dbraw/zinc/63/60/61/1379636061.db2.gz CAHLYURJQBPHJQ-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO COc1ccc([C@H]2CN(CC[N@H+](C)Cc3ccccc3)CCN2)cc1 ZINC001422160655 1379703330 /nfs/dbraw/zinc/70/33/30/1379703330.db2.gz INIKYZRIWGJWHY-OAQYLSRUSA-N 1 3 339.483 2.774 20 0 EFADHO COc1ccc([C@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCN2)cc1 ZINC001422160655 1379703333 /nfs/dbraw/zinc/70/33/33/1379703333.db2.gz INIKYZRIWGJWHY-OAQYLSRUSA-N 1 3 339.483 2.774 20 0 EFADHO COc1cccc([C@@H]2CN(CC[N@H+](C)Cc3ccccc3)CCN2)c1 ZINC001422164189 1379709573 /nfs/dbraw/zinc/70/95/73/1379709573.db2.gz VEQRALVTHNFAQL-NRFANRHFSA-N 1 3 339.483 2.774 20 0 EFADHO COc1cccc([C@@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCN2)c1 ZINC001422164189 1379709574 /nfs/dbraw/zinc/70/95/74/1379709574.db2.gz VEQRALVTHNFAQL-NRFANRHFSA-N 1 3 339.483 2.774 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422173309 1379723805 /nfs/dbraw/zinc/72/38/05/1379723805.db2.gz DQDNSERQFFDPRG-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422173309 1379723807 /nfs/dbraw/zinc/72/38/07/1379723807.db2.gz DQDNSERQFFDPRG-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001438461172 1388625803 /nfs/dbraw/zinc/62/58/03/1388625803.db2.gz NAVHQWZNIZMXIG-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001422198825 1379759406 /nfs/dbraw/zinc/75/94/06/1379759406.db2.gz HNQPYQYZIQTMTP-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1cccc(CCC[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001422198825 1379759408 /nfs/dbraw/zinc/75/94/08/1379759408.db2.gz HNQPYQYZIQTMTP-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001422209145 1379776157 /nfs/dbraw/zinc/77/61/57/1379776157.db2.gz HGRODMFFDPHBEY-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001422209145 1379776160 /nfs/dbraw/zinc/77/61/60/1379776160.db2.gz HGRODMFFDPHBEY-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001422216153 1379788934 /nfs/dbraw/zinc/78/89/34/1379788934.db2.gz RIMLJXQIDUAQNH-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2C)C1 ZINC001422245016 1379849772 /nfs/dbraw/zinc/84/97/72/1379849772.db2.gz IUOVXAKYYPYHHU-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2C)C1 ZINC001422245016 1379849776 /nfs/dbraw/zinc/84/97/76/1379849776.db2.gz IUOVXAKYYPYHHU-UXHICEINSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001422256777 1379871021 /nfs/dbraw/zinc/87/10/21/1379871021.db2.gz RCZXYYTYTXWTGQ-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001422256777 1379871025 /nfs/dbraw/zinc/87/10/25/1379871025.db2.gz RCZXYYTYTXWTGQ-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2cccnc2C)CC1 ZINC001422420384 1380067310 /nfs/dbraw/zinc/06/73/10/1380067310.db2.gz KANWOXKVKWUSFV-UHFFFAOYSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2cncc(C)c2)CC1)N(C)C ZINC001422421807 1380068953 /nfs/dbraw/zinc/06/89/53/1380068953.db2.gz MUSYETATSCQMMF-ACBHZAAOSA-N 1 3 346.519 2.589 20 0 EFADHO Cc1ncccc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001422441543 1380104741 /nfs/dbraw/zinc/10/47/41/1380104741.db2.gz FTBCNHXEZXZTFM-SFHVURJKSA-N 1 3 348.535 2.550 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001422513761 1380233599 /nfs/dbraw/zinc/23/35/99/1380233599.db2.gz HTWYXRLTLDKLSX-RISCZKNCSA-N 1 3 331.913 2.582 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422516630 1380237016 /nfs/dbraw/zinc/23/70/16/1380237016.db2.gz ACOYHRXEAHPZTN-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422516630 1380237017 /nfs/dbraw/zinc/23/70/17/1380237017.db2.gz ACOYHRXEAHPZTN-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001422547161 1380296904 /nfs/dbraw/zinc/29/69/04/1380296904.db2.gz PHQWLRGZNNXZLK-IIYDPXPESA-N 1 3 341.446 2.706 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@@H](CCO)c2cccs2)cc1 ZINC001422664797 1380531798 /nfs/dbraw/zinc/53/17/98/1380531798.db2.gz GQDLHNMNXGUUMO-KRWDZBQOSA-N 1 3 334.485 2.902 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]C/C=C\Cl ZINC001422676856 1380564175 /nfs/dbraw/zinc/56/41/75/1380564175.db2.gz OQLNUKGCEFNTIO-VWTAQGJOSA-N 1 3 343.943 2.934 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001438547128 1388667317 /nfs/dbraw/zinc/66/73/17/1388667317.db2.gz SFFWAIIBKGMDQM-RHSMWYFYSA-N 1 3 339.911 2.768 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001422757321 1380765833 /nfs/dbraw/zinc/76/58/33/1380765833.db2.gz GDPIBAUHHLWCQL-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H](CN(C)CCc1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001422914443 1381047381 /nfs/dbraw/zinc/04/73/81/1381047381.db2.gz DTIMVVTUMQFAQJ-KRWDZBQOSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001422937217 1381092745 /nfs/dbraw/zinc/09/27/45/1381092745.db2.gz VJADVDMHVJXWLK-PKOBYXMFSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422949657 1381108851 /nfs/dbraw/zinc/10/88/51/1381108851.db2.gz XREVQROTASABHO-BHMZLHOFSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422949657 1381108854 /nfs/dbraw/zinc/10/88/54/1381108854.db2.gz XREVQROTASABHO-BHMZLHOFSA-N 1 3 341.927 2.925 20 0 EFADHO C[C@@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001422950060 1381109567 /nfs/dbraw/zinc/10/95/67/1381109567.db2.gz YZZBJPJMCMOBSE-BJIFSAINSA-N 1 3 341.927 2.926 20 0 EFADHO CC(C)(C)[C@]1(C[N@H+](CCO)CCCO)CCN(Cc2ccccc2)C1 ZINC001423037743 1381251210 /nfs/dbraw/zinc/25/12/10/1381251210.db2.gz DFBASKVDHDLOOJ-NRFANRHFSA-N 1 3 348.531 2.602 20 0 EFADHO CC(C)(C)[C@]1(C[N@@H+](CCO)CCCO)CCN(Cc2ccccc2)C1 ZINC001423037743 1381251217 /nfs/dbraw/zinc/25/12/17/1381251217.db2.gz DFBASKVDHDLOOJ-NRFANRHFSA-N 1 3 348.531 2.602 20 0 EFADHO COc1ccc(C)cc1CN[C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001423100513 1381347136 /nfs/dbraw/zinc/34/71/36/1381347136.db2.gz CXHRYDIPKUIJHB-QFBILLFUSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001438648188 1388717833 /nfs/dbraw/zinc/71/78/33/1388717833.db2.gz FXACYHNUONBISJ-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001423134424 1381411432 /nfs/dbraw/zinc/41/14/32/1381411432.db2.gz YAAYPPPHSQZDJU-BLLLJJGKSA-N 1 3 341.858 2.510 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001423160692 1381472206 /nfs/dbraw/zinc/47/22/06/1381472206.db2.gz PYJVJDCABNCHBV-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO CCc1ccccc1CC[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001423225124 1381619055 /nfs/dbraw/zinc/61/90/55/1381619055.db2.gz CLMLEGALZZDEBL-UHFFFAOYSA-N 1 3 343.515 2.514 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001423226559 1381622515 /nfs/dbraw/zinc/62/25/15/1381622515.db2.gz IIFAHMAKSVGASO-IAGOWNOFSA-N 1 3 335.536 2.926 20 0 EFADHO CCCc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001423280706 1381740942 /nfs/dbraw/zinc/74/09/42/1381740942.db2.gz MZMDIFHRIGJZPF-KRWDZBQOSA-N 1 3 343.515 2.719 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCc2cccs2)CC1 ZINC001423283147 1381742889 /nfs/dbraw/zinc/74/28/89/1381742889.db2.gz IALIAKCBSLETPP-KRWDZBQOSA-N 1 3 349.544 2.792 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001423318074 1381776764 /nfs/dbraw/zinc/77/67/64/1381776764.db2.gz DWOVLFDGKWFWPA-AFMYVXGZSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001423318074 1381776767 /nfs/dbraw/zinc/77/67/67/1381776767.db2.gz DWOVLFDGKWFWPA-AFMYVXGZSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)[C@H]1C ZINC001423324014 1381784866 /nfs/dbraw/zinc/78/48/66/1381784866.db2.gz HHOMYZFOKUSGAA-RHSMWYFYSA-N 1 3 337.533 2.786 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CCCF)C2CCCCCC2)C1 ZINC001423334246 1381799646 /nfs/dbraw/zinc/79/96/46/1381799646.db2.gz DUMDUXWOXSQGRH-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CCCF)C2CCCCCC2)C1 ZINC001423334246 1381799650 /nfs/dbraw/zinc/79/96/50/1381799650.db2.gz DUMDUXWOXSQGRH-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C ZINC001423367558 1381856311 /nfs/dbraw/zinc/85/63/11/1381856311.db2.gz YOOOJCJUYYMFJI-GDBMZVCRSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@H]1C ZINC001423367558 1381856318 /nfs/dbraw/zinc/85/63/18/1381856318.db2.gz YOOOJCJUYYMFJI-GDBMZVCRSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423382339 1381883164 /nfs/dbraw/zinc/88/31/64/1381883164.db2.gz IKNWXXQEDWZUDU-HKUYNNGSSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001438705921 1388751316 /nfs/dbraw/zinc/75/13/16/1388751316.db2.gz LUUNGGNOPUNMLD-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2ccc(OC)cc2)CC1 ZINC001423527147 1382017875 /nfs/dbraw/zinc/01/78/75/1382017875.db2.gz UNPOGPSJXYNGPY-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2ccc(OC)cc2)CC1 ZINC001423527147 1382017878 /nfs/dbraw/zinc/01/78/78/1382017878.db2.gz UNPOGPSJXYNGPY-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)[NH2+]Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)c(F)c1 ZINC001423698743 1382313174 /nfs/dbraw/zinc/31/31/74/1382313174.db2.gz OOLOTMLYGPFTRN-UHFFFAOYSA-N 1 3 337.483 2.918 20 0 EFADHO CC1CC(C[N@H+](C)CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001438757030 1388789304 /nfs/dbraw/zinc/78/93/04/1388789304.db2.gz FWOVLCLMGCIJKP-KVZIAJEVSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CCC2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001438757030 1388789310 /nfs/dbraw/zinc/78/93/10/1388789310.db2.gz FWOVLCLMGCIJKP-KVZIAJEVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001423983260 1382591761 /nfs/dbraw/zinc/59/17/61/1382591761.db2.gz ADJFVCSIADSHHM-SLFFLAALSA-N 1 3 349.563 2.791 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001423983260 1382591765 /nfs/dbraw/zinc/59/17/65/1382591765.db2.gz ADJFVCSIADSHHM-SLFFLAALSA-N 1 3 349.563 2.791 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C)N(C)C ZINC001424154606 1382804085 /nfs/dbraw/zinc/80/40/85/1382804085.db2.gz YUOJUGDZJWGNDD-KSZLIROESA-N 1 3 325.541 2.980 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)s2)CCC1 ZINC001424228685 1382886311 /nfs/dbraw/zinc/88/63/11/1382886311.db2.gz XUWADYBMGXYSDF-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001424581161 1383153529 /nfs/dbraw/zinc/15/35/29/1383153529.db2.gz XWPYTBNFTSNBTD-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)cs1 ZINC001438837352 1388854398 /nfs/dbraw/zinc/85/43/98/1388854398.db2.gz DBKUDGHVNBIEFV-IRXDYDNUSA-N 1 3 339.549 2.873 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001424949405 1383496940 /nfs/dbraw/zinc/49/69/40/1383496940.db2.gz PBVKSTYYFVQOKG-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001424949405 1383496947 /nfs/dbraw/zinc/49/69/47/1383496947.db2.gz PBVKSTYYFVQOKG-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001425247699 1383563769 /nfs/dbraw/zinc/56/37/69/1383563769.db2.gz OXKYVUKAKHWVOH-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425508286 1383673330 /nfs/dbraw/zinc/67/33/30/1383673330.db2.gz LZGAQZYFHJDFLS-LJQANCHMSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C\Cl ZINC001425599122 1383706619 /nfs/dbraw/zinc/70/66/19/1383706619.db2.gz AVBFPGUSUKKRAT-QIENPNARSA-N 1 3 329.916 2.688 20 0 EFADHO C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1ccccc1F ZINC001425937513 1383875434 /nfs/dbraw/zinc/87/54/34/1383875434.db2.gz XJHCDJKDQSBVJR-QFBILLFUSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001438880001 1388885817 /nfs/dbraw/zinc/88/58/17/1388885817.db2.gz YJDKSFNLJKEQNP-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001438880001 1388885820 /nfs/dbraw/zinc/88/58/20/1388885820.db2.gz YJDKSFNLJKEQNP-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001439117887 1388999809 /nfs/dbraw/zinc/99/98/09/1388999809.db2.gz ASEWVBRINKNTHL-OLZOCXBDSA-N 1 3 339.430 2.604 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1F)C1CCC1 ZINC001426252495 1384096363 /nfs/dbraw/zinc/09/63/63/1384096363.db2.gz INDQHRHPGIWDOU-UHFFFAOYSA-N 1 3 347.478 2.816 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001438905053 1388907975 /nfs/dbraw/zinc/90/79/75/1388907975.db2.gz SLAZVPHKXSBJJZ-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCN1C ZINC001439070796 1388977469 /nfs/dbraw/zinc/97/74/69/1388977469.db2.gz FRLWCKMZLMMUCL-JXFKEZNVSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001439075258 1388980998 /nfs/dbraw/zinc/98/09/98/1388980998.db2.gz SKSVEMHDRARXSB-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001439075262 1388981037 /nfs/dbraw/zinc/98/10/37/1388981037.db2.gz SKSVEMHDRARXSB-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO CCC[C@@H]1CN(C(=O)C2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001433846272 1387002692 /nfs/dbraw/zinc/00/26/92/1387002692.db2.gz GTJMLSAQEVILND-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CCC[C@@H]1CN(C(=O)C2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC001433846272 1387002697 /nfs/dbraw/zinc/00/26/97/1387002697.db2.gz GTJMLSAQEVILND-GOSISDBHSA-N 1 3 329.488 2.594 20 0 EFADHO CC[N@H+](C)C[C@H](O)CN(CCc1ccc(OC)cc1)CC(C)(C)C ZINC001434459395 1387161461 /nfs/dbraw/zinc/16/14/61/1387161461.db2.gz ZYWDSFPCLQEZHV-SFHVURJKSA-N 1 3 336.520 2.898 20 0 EFADHO CC[N@@H+](C)C[C@H](O)CN(CCc1ccc(OC)cc1)CC(C)(C)C ZINC001434459395 1387161466 /nfs/dbraw/zinc/16/14/66/1387161466.db2.gz ZYWDSFPCLQEZHV-SFHVURJKSA-N 1 3 336.520 2.898 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001439177712 1389033292 /nfs/dbraw/zinc/03/32/92/1389033292.db2.gz XXRVLEUQXZJAPP-CVEARBPZSA-N 1 3 331.504 2.672 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439332889 1389152458 /nfs/dbraw/zinc/15/24/58/1389152458.db2.gz PWSGLIXSOHBIMS-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439332889 1389152466 /nfs/dbraw/zinc/15/24/66/1389152466.db2.gz PWSGLIXSOHBIMS-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001439401830 1389247498 /nfs/dbraw/zinc/24/74/98/1389247498.db2.gz CWDJUPYSQGPXOH-KRWDZBQOSA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001439407987 1389258229 /nfs/dbraw/zinc/25/82/29/1389258229.db2.gz VVIQZWOKIOAUET-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001439407987 1389258238 /nfs/dbraw/zinc/25/82/38/1389258238.db2.gz VVIQZWOKIOAUET-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440106405 1389388839 /nfs/dbraw/zinc/38/88/39/1389388839.db2.gz CDMQJUXMFIZFBR-STQMWFEESA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001440129871 1389402799 /nfs/dbraw/zinc/40/27/99/1389402799.db2.gz WMRPAISJGOTUKW-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1 ZINC001440221662 1389451536 /nfs/dbraw/zinc/45/15/36/1389451536.db2.gz IMQKWSBLPNXCLZ-WGSAOQKQSA-N 1 3 331.504 2.793 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001440291112 1389508769 /nfs/dbraw/zinc/50/87/69/1389508769.db2.gz NYTTZNYUMFWZCD-HDICACEKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001440300647 1389514847 /nfs/dbraw/zinc/51/48/47/1389514847.db2.gz HBKKINPTABGNBQ-KYJSFNMBSA-N 1 3 349.906 2.666 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001440301906 1389515256 /nfs/dbraw/zinc/51/52/56/1389515256.db2.gz RMQVJXPSWREBHG-GOSISDBHSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001440301906 1389515259 /nfs/dbraw/zinc/51/52/59/1389515259.db2.gz RMQVJXPSWREBHG-GOSISDBHSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001440337229 1389544532 /nfs/dbraw/zinc/54/45/32/1389544532.db2.gz DFRACASZGKKHAQ-MPGHIAIKSA-N 1 3 347.478 2.855 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001440398114 1389594598 /nfs/dbraw/zinc/59/45/98/1389594598.db2.gz QQEDDNLLWHBAQH-DAWZGUTISA-N 1 3 337.552 2.981 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001440398114 1389594602 /nfs/dbraw/zinc/59/46/02/1389594602.db2.gz QQEDDNLLWHBAQH-DAWZGUTISA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cncc(CN(C)CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001440433493 1389632325 /nfs/dbraw/zinc/63/23/25/1389632325.db2.gz LMUPYODMDGEOMO-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO Cc1cncc(CN(C)CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001440433493 1389632331 /nfs/dbraw/zinc/63/23/31/1389632331.db2.gz LMUPYODMDGEOMO-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO CN(CCC[N@H+](C)C/C=C\c1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001440441177 1389639791 /nfs/dbraw/zinc/63/97/91/1389639791.db2.gz CKMFLYXLBURGOV-DRHVUCGNSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C\c1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001440441177 1389639794 /nfs/dbraw/zinc/63/97/94/1389639794.db2.gz CKMFLYXLBURGOV-DRHVUCGNSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)Cc1c[nH]cn1 ZINC001440467606 1389670326 /nfs/dbraw/zinc/67/03/26/1389670326.db2.gz BLIWLAVVLAPHDR-GOSISDBHSA-N 1 3 344.434 2.559 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)Cc1c[nH]cn1 ZINC001440467606 1389670332 /nfs/dbraw/zinc/67/03/32/1389670332.db2.gz BLIWLAVVLAPHDR-GOSISDBHSA-N 1 3 344.434 2.559 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001440647231 1389796197 /nfs/dbraw/zinc/79/61/97/1389796197.db2.gz KCFAGRJUHSKODR-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC001440647231 1389796200 /nfs/dbraw/zinc/79/62/00/1389796200.db2.gz KCFAGRJUHSKODR-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001440708481 1389831077 /nfs/dbraw/zinc/83/10/77/1389831077.db2.gz ZIXPPQSZVIURNC-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001440708481 1389831080 /nfs/dbraw/zinc/83/10/80/1389831080.db2.gz ZIXPPQSZVIURNC-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930812 1390019329 /nfs/dbraw/zinc/01/93/29/1390019329.db2.gz CLWJCFCXQZBFSM-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930812 1390019336 /nfs/dbraw/zinc/01/93/36/1390019336.db2.gz CLWJCFCXQZBFSM-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1ccsc1 ZINC001440932955 1390022155 /nfs/dbraw/zinc/02/21/55/1390022155.db2.gz GDXPWADVLWLYLC-OAHLLOKOSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1ccsc1 ZINC001440932955 1390022163 /nfs/dbraw/zinc/02/21/63/1390022163.db2.gz GDXPWADVLWLYLC-OAHLLOKOSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001440944299 1390031503 /nfs/dbraw/zinc/03/15/03/1390031503.db2.gz ZNIBCLPGTSRVNX-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001440944299 1390031510 /nfs/dbraw/zinc/03/15/10/1390031510.db2.gz ZNIBCLPGTSRVNX-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001440990785 1391010111 /nfs/dbraw/zinc/01/01/11/1391010111.db2.gz IRJAVQVYJFRDFU-YJBOKZPZSA-N 1 3 332.492 2.892 20 0 EFADHO CC(C)C[NH2+][C@@H](CCN(C)C(=O)CN1CCC(C)CC1)C(C)C ZINC001441088417 1391081211 /nfs/dbraw/zinc/08/12/11/1391081211.db2.gz DORSYODDZSCIEC-SFHVURJKSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001441388312 1391277805 /nfs/dbraw/zinc/27/78/05/1391277805.db2.gz ZNRZDSZDHAVHMI-IYARVYRRSA-N 1 3 343.515 2.833 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001441413393 1391290466 /nfs/dbraw/zinc/29/04/66/1391290466.db2.gz FJPOVLVSNSDUJR-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccc(F)cc2F)C1 ZINC001441413393 1391290468 /nfs/dbraw/zinc/29/04/68/1391290468.db2.gz FJPOVLVSNSDUJR-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001441422531 1391296455 /nfs/dbraw/zinc/29/64/55/1391296455.db2.gz XFNDEQPMRDNFNM-LNLFQRSKSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)c1ccccc1F ZINC001441551847 1391360050 /nfs/dbraw/zinc/36/00/50/1391360050.db2.gz ZVGRQSDZAKALAR-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001441586069 1391377813 /nfs/dbraw/zinc/37/78/13/1391377813.db2.gz OTOWWLKEZFZVLZ-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001441586069 1391377821 /nfs/dbraw/zinc/37/78/21/1391377821.db2.gz OTOWWLKEZFZVLZ-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCc2ccccc2)CC1 ZINC001441750186 1391413722 /nfs/dbraw/zinc/41/37/22/1391413722.db2.gz BAJHHQXBSRFIGL-UHFFFAOYSA-N 1 3 331.504 2.588 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1 ZINC001444211324 1391461531 /nfs/dbraw/zinc/46/15/31/1391461531.db2.gz OMFFUCANIUHDPQ-LJQANCHMSA-N 1 3 331.504 2.923 20 0 EFADHO CN(CCF)C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001506959509 1406503488 /nfs/dbraw/zinc/50/34/88/1406503488.db2.gz DJGZWWPXWQYAKS-UHFFFAOYSA-N 1 3 327.488 2.533 20 0 EFADHO CN(CCF)C1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001506959509 1406503491 /nfs/dbraw/zinc/50/34/91/1406503491.db2.gz DJGZWWPXWQYAKS-UHFFFAOYSA-N 1 3 327.488 2.533 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccc(F)cc2)CC1 ZINC001446649927 1391569764 /nfs/dbraw/zinc/56/97/64/1391569764.db2.gz XSFWBNPNGMNKAT-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccc(F)cc2)CC1 ZINC001446649927 1391569766 /nfs/dbraw/zinc/56/97/66/1391569766.db2.gz XSFWBNPNGMNKAT-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(Cl)cc3)CCC2)CCC1 ZINC001447194634 1391696059 /nfs/dbraw/zinc/69/60/59/1391696059.db2.gz DFKZBRRJXRSHCT-UHFFFAOYSA-N 1 3 349.906 2.953 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)CCCc2ccccc2)CC1 ZINC001506970151 1406527429 /nfs/dbraw/zinc/52/74/29/1406527429.db2.gz JOVYPIJUEDHGPS-UHFFFAOYSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)CCCc2ccccc2)CC1 ZINC001506970151 1406527435 /nfs/dbraw/zinc/52/74/35/1406527435.db2.gz JOVYPIJUEDHGPS-UHFFFAOYSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCc1cccs1 ZINC001448095952 1391954946 /nfs/dbraw/zinc/95/49/46/1391954946.db2.gz MHUGVDULQFTENL-HNNXBMFYSA-N 1 3 339.549 2.705 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCc1cccs1 ZINC001448095952 1391954949 /nfs/dbraw/zinc/95/49/49/1391954949.db2.gz MHUGVDULQFTENL-HNNXBMFYSA-N 1 3 339.549 2.705 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001448605996 1392099322 /nfs/dbraw/zinc/09/93/22/1392099322.db2.gz PEYQFOPSOBWXTA-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CN(C)CC(C)(C)C ZINC001449028673 1392218809 /nfs/dbraw/zinc/21/88/09/1392218809.db2.gz NXZVEVMFOQSBRF-UKRRQHHQSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC001450789631 1392752114 /nfs/dbraw/zinc/75/21/14/1392752114.db2.gz JRLBACBLGXVINS-IHPCNDPISA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)C1 ZINC001450789631 1392752115 /nfs/dbraw/zinc/75/21/15/1392752115.db2.gz JRLBACBLGXVINS-IHPCNDPISA-N 1 3 343.515 2.886 20 0 EFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(F)c(F)c2)C1 ZINC001461431609 1396378850 /nfs/dbraw/zinc/37/88/50/1396378850.db2.gz PDNCZWGMBHJOPR-QGZVFWFLSA-N 1 3 332.394 2.821 20 0 EFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(F)c(F)c2)C1 ZINC001461431609 1396378859 /nfs/dbraw/zinc/37/88/59/1396378859.db2.gz PDNCZWGMBHJOPR-QGZVFWFLSA-N 1 3 332.394 2.821 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC001464637300 1396592347 /nfs/dbraw/zinc/59/23/47/1396592347.db2.gz FGJVANOXXWHFGU-GOSISDBHSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2cccc(F)c2)C1 ZINC001464637300 1396592348 /nfs/dbraw/zinc/59/23/48/1396592348.db2.gz FGJVANOXXWHFGU-GOSISDBHSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915464 1396722517 /nfs/dbraw/zinc/72/25/17/1396722517.db2.gz HSMYFTDCZMWOLL-DFQSSKMNSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915464 1396722522 /nfs/dbraw/zinc/72/25/22/1396722522.db2.gz HSMYFTDCZMWOLL-DFQSSKMNSA-N 1 3 343.515 2.886 20 0 EFADHO CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001466680194 1396772432 /nfs/dbraw/zinc/77/24/32/1396772432.db2.gz UNQDHMQHUYEQFD-QWFCFKBJSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H](CCN(C)C)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC001473968167 1397358302 /nfs/dbraw/zinc/35/83/02/1397358302.db2.gz MHIQWCQJQYLBHG-LLVKDONJSA-N 1 3 325.254 2.527 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC001473986054 1397361426 /nfs/dbraw/zinc/36/14/26/1397361426.db2.gz INQANXPZYWCLCD-MRXNPFEDSA-N 1 3 349.567 2.618 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001479371533 1397706057 /nfs/dbraw/zinc/70/60/57/1397706057.db2.gz RYLSINXGHZRGME-UAPYVXQJSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001480024185 1398100043 /nfs/dbraw/zinc/10/00/43/1398100043.db2.gz RMTNHJPCKBQHHA-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)CC(C)(C)C ZINC001480158715 1398132951 /nfs/dbraw/zinc/13/29/51/1398132951.db2.gz YFJIVTMIYKMZHP-KEVQHGLRSA-N 1 3 343.515 2.915 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001480664888 1398271144 /nfs/dbraw/zinc/27/11/44/1398271144.db2.gz GTZZJVMLLLYHLX-SFHVURJKSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001480711398 1398303732 /nfs/dbraw/zinc/30/37/32/1398303732.db2.gz LMKOLYHYSNJLPC-ROUUACIJSA-N 1 3 347.503 2.554 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1cc(C)sc1C ZINC001493013211 1398359602 /nfs/dbraw/zinc/35/96/02/1398359602.db2.gz WQECMXQZPAJDKD-UHFFFAOYSA-N 1 3 337.533 2.645 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001493061253 1398404783 /nfs/dbraw/zinc/40/47/83/1398404783.db2.gz CDADHZLHADYJMV-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001493061253 1398404788 /nfs/dbraw/zinc/40/47/88/1398404788.db2.gz CDADHZLHADYJMV-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001493415150 1398689056 /nfs/dbraw/zinc/68/90/56/1398689056.db2.gz VTJZUWKQDVYMPC-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001493415150 1398689063 /nfs/dbraw/zinc/68/90/63/1398689063.db2.gz VTJZUWKQDVYMPC-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001493581550 1398761538 /nfs/dbraw/zinc/76/15/38/1398761538.db2.gz XGNUYDCOASVHKM-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001493685018 1398807358 /nfs/dbraw/zinc/80/73/58/1398807358.db2.gz PIRZTDAXUQVHDJ-HXUWFJFHSA-N 1 3 341.499 2.974 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](CNC/C(Cl)=C/Cl)C2)CC1 ZINC001507412670 1407025459 /nfs/dbraw/zinc/02/54/59/1407025459.db2.gz XHESCZLTHHICNB-LRZCHELBSA-N 1 3 348.318 2.522 20 0 EFADHO Cc1ccccc1C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001494594752 1399394306 /nfs/dbraw/zinc/39/43/06/1399394306.db2.gz UOQJGESXZIPEHR-UHFFFAOYSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001507418184 1407032948 /nfs/dbraw/zinc/03/29/48/1407032948.db2.gz CDDROMNKWOWTIT-VQIMIIECSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001495667422 1400152489 /nfs/dbraw/zinc/15/24/89/1400152489.db2.gz QPQJCCHDFZESMX-APWZRJJASA-N 1 3 349.494 2.871 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001495667424 1400152589 /nfs/dbraw/zinc/15/25/89/1400152589.db2.gz QPQJCCHDFZESMX-LPHOPBHVSA-N 1 3 349.494 2.871 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001495787428 1400268631 /nfs/dbraw/zinc/26/86/31/1400268631.db2.gz BATJGIJQSKVDQE-HNAYVOBHSA-N 1 3 349.494 2.887 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495970434 1400389351 /nfs/dbraw/zinc/38/93/51/1400389351.db2.gz RBJHSSAYJNXXRC-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001496152602 1400504920 /nfs/dbraw/zinc/50/49/20/1400504920.db2.gz AMHPHRLDCLOOTB-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001496153829 1400505832 /nfs/dbraw/zinc/50/58/32/1400505832.db2.gz JWTKPCUZEWREIX-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001496388517 1400695710 /nfs/dbraw/zinc/69/57/10/1400695710.db2.gz NRACEGLFTMWYDM-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001496561649 1400829183 /nfs/dbraw/zinc/82/91/83/1400829183.db2.gz KGJFIDKMECLGSF-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001496715748 1400937742 /nfs/dbraw/zinc/93/77/42/1400937742.db2.gz RYGJJCHOOMPQBK-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001496715748 1400937746 /nfs/dbraw/zinc/93/77/46/1400937746.db2.gz RYGJJCHOOMPQBK-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001496717520 1400938647 /nfs/dbraw/zinc/93/86/47/1400938647.db2.gz WTEJJNUPBJTEOQ-IBGZPJMESA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2F)C(=O)CN(C)C1CCC1 ZINC001496717520 1400938650 /nfs/dbraw/zinc/93/86/50/1400938650.db2.gz WTEJJNUPBJTEOQ-IBGZPJMESA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001496717463 1400939088 /nfs/dbraw/zinc/93/90/88/1400939088.db2.gz UQSZMRQMMBFVQS-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001496717463 1400939091 /nfs/dbraw/zinc/93/90/91/1400939091.db2.gz UQSZMRQMMBFVQS-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)cc1C ZINC001496794221 1400988005 /nfs/dbraw/zinc/98/80/05/1400988005.db2.gz UDGOTOLBBLDOIA-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001496794275 1400988134 /nfs/dbraw/zinc/98/81/34/1400988134.db2.gz UWWVVRQLJKPHGW-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001497204346 1401217870 /nfs/dbraw/zinc/21/78/70/1401217870.db2.gz BWMYKAANICOZEW-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497992651 1401798798 /nfs/dbraw/zinc/79/87/98/1401798798.db2.gz IBCIZTGDLNMMFR-HZPDHXFCSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498331075 1402014067 /nfs/dbraw/zinc/01/40/67/1402014067.db2.gz QAVYUIVVCSXULV-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001498770779 1402279090 /nfs/dbraw/zinc/27/90/90/1402279090.db2.gz QRUFGCLYJFJPCK-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]C/C=C/Cl ZINC001498897545 1402366862 /nfs/dbraw/zinc/36/68/62/1402366862.db2.gz GUCDAYXAELQUPN-JDFMTEHDSA-N 1 3 343.943 2.934 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001499048278 1402443066 /nfs/dbraw/zinc/44/30/66/1402443066.db2.gz OKXLSFYDKLZBHQ-IEBWSBKVSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1F)C(C)(C)C ZINC001508041013 1407258730 /nfs/dbraw/zinc/25/87/30/1407258730.db2.gz YOWFBFGGDXHSGI-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CCC(F)(F)CC1 ZINC001499107866 1402474273 /nfs/dbraw/zinc/47/42/73/1402474273.db2.gz VMXXNWNQWPOKFU-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC1CCC(F)(F)CC1 ZINC001499107866 1402474276 /nfs/dbraw/zinc/47/42/76/1402474276.db2.gz VMXXNWNQWPOKFU-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CCC(F)(F)CC3)CC2)CCC1 ZINC001499249002 1402537846 /nfs/dbraw/zinc/53/78/46/1402537846.db2.gz NFOMHFGIBAORLX-UHFFFAOYSA-N 1 3 343.462 2.535 20 0 EFADHO Cc1cccc(CNC2(CNC(=O)CCC[NH+]3CCCCC3)CC2)c1 ZINC001499451776 1402620457 /nfs/dbraw/zinc/62/04/57/1402620457.db2.gz OPLLEKWWDDEILM-UHFFFAOYSA-N 1 3 343.515 3.000 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]Cc3ccccc3)CC2)c1 ZINC001499461080 1402624551 /nfs/dbraw/zinc/62/45/51/1402624551.db2.gz CUPAPYRHXLLGFO-UHFFFAOYSA-N 1 3 337.467 2.800 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001499616101 1402720897 /nfs/dbraw/zinc/72/08/97/1402720897.db2.gz LUODYMRDWBEXNA-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001499616101 1402720900 /nfs/dbraw/zinc/72/09/00/1402720900.db2.gz LUODYMRDWBEXNA-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001499842624 1402810874 /nfs/dbraw/zinc/81/08/74/1402810874.db2.gz ADYYRYPYCUAGFA-QEKRDFGQSA-N 1 3 348.318 2.616 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@H]1C ZINC001499851789 1402818964 /nfs/dbraw/zinc/81/89/64/1402818964.db2.gz BFNBVKJDMKGBCI-QOUCBHDVSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@H]1C ZINC001499851789 1402818972 /nfs/dbraw/zinc/81/89/72/1402818972.db2.gz BFNBVKJDMKGBCI-QOUCBHDVSA-N 1 3 336.307 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)C[C@H]1C ZINC001499853437 1402821164 /nfs/dbraw/zinc/82/11/64/1402821164.db2.gz NCCLCCPWEQVLRE-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001500273130 1403021660 /nfs/dbraw/zinc/02/16/60/1403021660.db2.gz ASIAETVWTWFMGU-HXUWFJFHSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001500273130 1403021665 /nfs/dbraw/zinc/02/16/65/1403021665.db2.gz ASIAETVWTWFMGU-HXUWFJFHSA-N 1 3 331.504 2.671 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001508113616 1407302006 /nfs/dbraw/zinc/30/20/06/1407302006.db2.gz ACIXJSFFJXMVGX-UHFFFAOYSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001500380070 1403085506 /nfs/dbraw/zinc/08/55/06/1403085506.db2.gz JOUFACMLOIHCMY-BEFAXECRSA-N 1 3 326.444 2.542 20 0 EFADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001501621384 1403649826 /nfs/dbraw/zinc/64/98/26/1403649826.db2.gz BJOAWLVLQYKHRT-CABCVRRESA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001501622063 1403650615 /nfs/dbraw/zinc/65/06/15/1403650615.db2.gz PCPPEYFIOJUUBO-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001501681550 1403714660 /nfs/dbraw/zinc/71/46/60/1403714660.db2.gz LPZLBJQDBTYZJO-AWEZNQCLSA-N 1 3 328.460 2.884 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1 ZINC001502134930 1404031908 /nfs/dbraw/zinc/03/19/08/1404031908.db2.gz CRGVFCMSOCCCLH-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001502134929 1404033081 /nfs/dbraw/zinc/03/30/81/1404033081.db2.gz CRGVFCMSOCCCLH-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001502342507 1404085461 /nfs/dbraw/zinc/08/54/61/1404085461.db2.gz XQTXETLJMCXBBU-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001502342507 1404085466 /nfs/dbraw/zinc/08/54/66/1404085466.db2.gz XQTXETLJMCXBBU-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C)C1 ZINC001502375413 1404114606 /nfs/dbraw/zinc/11/46/06/1404114606.db2.gz KYCJNWXRCZKMRF-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C)C1 ZINC001502375413 1404114613 /nfs/dbraw/zinc/11/46/13/1404114613.db2.gz KYCJNWXRCZKMRF-QGZVFWFLSA-N 1 3 325.541 2.935 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001502375752 1404114528 /nfs/dbraw/zinc/11/45/28/1404114528.db2.gz SQNRQONMBBHGHC-ZWKOTPCHSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001502375752 1404114534 /nfs/dbraw/zinc/11/45/34/1404114534.db2.gz SQNRQONMBBHGHC-ZWKOTPCHSA-N 1 3 331.504 2.870 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccccc1 ZINC001502400795 1404140651 /nfs/dbraw/zinc/14/06/51/1404140651.db2.gz ACZQFPDSGMJSOL-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001502400795 1404140656 /nfs/dbraw/zinc/14/06/56/1404140656.db2.gz ACZQFPDSGMJSOL-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC001502402026 1404142564 /nfs/dbraw/zinc/14/25/64/1404142564.db2.gz YYROJKWJWMMDSF-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001502402026 1404142568 /nfs/dbraw/zinc/14/25/68/1404142568.db2.gz YYROJKWJWMMDSF-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccn1 ZINC001505849946 1405140264 /nfs/dbraw/zinc/14/02/64/1405140264.db2.gz FGLFKISSMABFBK-GOSISDBHSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cccc(Cl)c1 ZINC001505994399 1405319338 /nfs/dbraw/zinc/31/93/38/1405319338.db2.gz CBFRYPASYRCPPM-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@@H](C)NC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001506625083 1406059453 /nfs/dbraw/zinc/05/94/53/1406059453.db2.gz AZBVJMUUUINCMP-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001506670664 1406128530 /nfs/dbraw/zinc/12/85/30/1406128530.db2.gz KNEZXLUVNUSBAG-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001506742128 1406232981 /nfs/dbraw/zinc/23/29/81/1406232981.db2.gz OFNCRAXWRFUZCT-ROUUACIJSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[N@@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001506742128 1406232989 /nfs/dbraw/zinc/23/29/89/1406232989.db2.gz OFNCRAXWRFUZCT-ROUUACIJSA-N 1 3 335.536 2.900 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1Cn1cc(CN[C@@H]2CCCC23CCCCC3)nn1 ZINC001550906726 1413796613 /nfs/dbraw/zinc/79/66/13/1413796613.db2.gz QOAZAKVWBYDQEE-CGTJXYLNSA-N 1 3 331.508 2.998 20 0 EFADHO COc1nc(Cl)c(CNC2CCC(C)([NH+]3CCC3)CC2)n1C ZINC001550933481 1413807155 /nfs/dbraw/zinc/80/71/55/1413807155.db2.gz WMZYAKSEDNYUBM-UHFFFAOYSA-N 1 3 326.872 2.579 20 0 EFADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001551225059 1413960235 /nfs/dbraw/zinc/96/02/35/1413960235.db2.gz BLQVUSCXGRDJMV-AEFFLSMTSA-N 1 3 334.508 2.719 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(CCC(C)C)CC1 ZINC001551225124 1413960295 /nfs/dbraw/zinc/96/02/95/1413960295.db2.gz CFUDOVOJMUZHBX-AZUAARDMSA-N 1 3 348.535 2.967 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001551225061 1413960335 /nfs/dbraw/zinc/96/03/35/1413960335.db2.gz BLQVUSCXGRDJMV-FUHWJXTLSA-N 1 3 334.508 2.719 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cccc3c[nH]nc32)CC1 ZINC001551237270 1413968754 /nfs/dbraw/zinc/96/87/54/1413968754.db2.gz BFWTZWXNQJNGIE-UHFFFAOYSA-N 1 3 328.460 2.686 20 0 EFADHO CCn1nc(C)c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1C ZINC001551237554 1413969830 /nfs/dbraw/zinc/96/98/30/1413969830.db2.gz UUKLMKAMGXFOPE-UHFFFAOYSA-N 1 3 334.508 2.643 20 0 EFADHO COc1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)ccc1F ZINC001551237546 1413970033 /nfs/dbraw/zinc/97/00/33/1413970033.db2.gz TVENTPREGKCPBP-UHFFFAOYSA-N 1 3 336.451 2.957 20 0 EFADHO Cn1ccc(-c2nc(CN3C[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]4C3)cs2)n1 ZINC001551257994 1413980149 /nfs/dbraw/zinc/98/01/49/1413980149.db2.gz BPJFZOAWPZAOGQ-IJEWVQPXSA-N 1 3 345.516 2.706 20 0 EFADHO COc1cc(CN2CCC(C[NH3+])(c3ccccc3)CC2)ncc1C ZINC001551389445 1414055010 /nfs/dbraw/zinc/05/50/10/1414055010.db2.gz ZUHAMZHPWZTEEA-UHFFFAOYSA-N 1 3 325.456 2.891 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)ccn1 ZINC001551398709 1414061309 /nfs/dbraw/zinc/06/13/09/1414061309.db2.gz JGWXDSRCZXZMHB-DMKPSLHHSA-N 1 3 333.476 2.774 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](N)[C@@H](c2cn(C)cn2)C1 ZINC001551404553 1414064123 /nfs/dbraw/zinc/06/41/23/1414064123.db2.gz ZEFHGFKGUPIISF-GJZGRUSLSA-N 1 3 338.377 2.674 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](N)[C@@H](c2cn(C)cn2)C1 ZINC001551404553 1414064134 /nfs/dbraw/zinc/06/41/34/1414064134.db2.gz ZEFHGFKGUPIISF-GJZGRUSLSA-N 1 3 338.377 2.674 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CCC3(C[C@@H]3[NH3+])CC2)N(C)C)cc1 ZINC001551567576 1414127311 /nfs/dbraw/zinc/12/73/11/1414127311.db2.gz JZEGTSREPLBXKU-NRGCRIOASA-N 1 3 344.503 2.557 20 0 EFADHO C[N@@H+]1C[C@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@H]2C1 ZINC001552135971 1414349136 /nfs/dbraw/zinc/34/91/36/1414349136.db2.gz GKBDJVAHXIQGNG-UXHICEINSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1C[C@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@H]2C1 ZINC001552135971 1414349144 /nfs/dbraw/zinc/34/91/44/1414349144.db2.gz GKBDJVAHXIQGNG-UXHICEINSA-N 1 3 341.499 2.839 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)c2C1 ZINC001552273370 1414401204 /nfs/dbraw/zinc/40/12/04/1414401204.db2.gz HSFQKMJVXRDJGJ-IAGOWNOFSA-N 1 3 332.492 2.544 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C3(CCCCC3)C2)CCN(C2CC2)C1 ZINC001552294261 1414407930 /nfs/dbraw/zinc/40/79/30/1414407930.db2.gz XFIMKWOMUQDFGX-IAGOWNOFSA-N 1 3 348.535 2.567 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@H]1c1ccccc1 ZINC001552302666 1414415091 /nfs/dbraw/zinc/41/50/91/1414415091.db2.gz VCVZYHBXUBHQQE-OKZBNKHCSA-N 1 3 329.488 2.668 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)[C@H]1c1ccccc1 ZINC001552302666 1414415094 /nfs/dbraw/zinc/41/50/94/1414415094.db2.gz VCVZYHBXUBHQQE-OKZBNKHCSA-N 1 3 329.488 2.668 20 0 EFADHO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552354493 1414436546 /nfs/dbraw/zinc/43/65/46/1414436546.db2.gz LOABJVRGSSDFFH-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552354493 1414436548 /nfs/dbraw/zinc/43/65/48/1414436548.db2.gz LOABJVRGSSDFFH-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2cnn(C)c2)CC1 ZINC001552374898 1414442944 /nfs/dbraw/zinc/44/29/44/1414442944.db2.gz BFQACHKVSVBZDX-LPHOPBHVSA-N 1 3 334.508 2.598 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC001552377702 1414443868 /nfs/dbraw/zinc/44/38/68/1414443868.db2.gz DENQCRUBILLTMU-YWTNHNAXSA-N 1 3 334.508 2.833 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCCC[NH2+]C2)N2CCCC2)cc1 ZINC001552420286 1414452133 /nfs/dbraw/zinc/45/21/33/1414452133.db2.gz RNOZCWXPZLQTOF-MOPGFXCFSA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc21 ZINC001552469045 1414460159 /nfs/dbraw/zinc/46/01/59/1414460159.db2.gz IXUVCCSBSIBCMI-FUHWJXTLSA-N 1 3 338.455 2.924 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@]23CCC[C@@H]2[NH2+]CC3)N2CCCC2)cc1 ZINC001552830816 1414577716 /nfs/dbraw/zinc/57/77/16/1414577716.db2.gz GTMTWDLWCUFJTM-ZJOUEHCJSA-N 1 3 341.499 2.780 20 0 EFADHO [NH3+]C[C@@H]1CN(C[C@@H]2CCC3(CCOCC3)CO2)C[C@@H]1c1ccccc1 ZINC001552895295 1414600555 /nfs/dbraw/zinc/60/05/55/1414600555.db2.gz ANVZNQONGOZFSL-HSALFYBXSA-N 1 3 344.499 2.637 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001552922531 1414604655 /nfs/dbraw/zinc/60/46/55/1414604655.db2.gz JIWKDQVNHVVVFL-FUHWJXTLSA-N 1 3 327.472 2.792 20 0 EFADHO C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC001552979295 1414629442 /nfs/dbraw/zinc/62/94/42/1414629442.db2.gz CEUVSXNSEHJXPO-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC001553024091 1414648515 /nfs/dbraw/zinc/64/85/15/1414648515.db2.gz JDXKBMVHNZORFQ-KZIZELGASA-N 1 3 329.488 2.578 20 0 EFADHO C[C@@H](NC(=O)NC1(C2CC[NH2+]CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC001553480774 1414834156 /nfs/dbraw/zinc/83/41/56/1414834156.db2.gz IMKKXEISVGSSHT-QAPCUYQASA-N 1 3 344.503 2.509 20 0 EFADHO CC[NH+]1CCC(NCc2ccccc2-n2nnc3ccccc32)CC1 ZINC001560247957 1415270275 /nfs/dbraw/zinc/27/02/75/1415270275.db2.gz OBJQNTSCDZMQHI-UHFFFAOYSA-N 1 3 335.455 2.994 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2cnccn12 ZINC001560372063 1415279703 /nfs/dbraw/zinc/27/97/03/1415279703.db2.gz WIWYGZNCTJNPBF-LFUKPOHLSA-N 1 3 349.482 2.976 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1)N(C)C ZINC001566488001 1415580069 /nfs/dbraw/zinc/58/00/69/1415580069.db2.gz CSBPHIYNJFIZOM-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1)N(C)C ZINC001566488001 1415580073 /nfs/dbraw/zinc/58/00/73/1415580073.db2.gz CSBPHIYNJFIZOM-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO C[C@@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccccc1Cl ZINC001645878023 1416578645 /nfs/dbraw/zinc/57/86/45/1416578645.db2.gz SMHMULBYMCQLTD-OAHLLOKOSA-N 1 3 349.906 2.983 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)C3CCCCC3)C2)CC1 ZINC001645892712 1416581624 /nfs/dbraw/zinc/58/16/24/1416581624.db2.gz KEQAARKSAAXLHY-MJGOQNOKSA-N 1 3 335.536 2.865 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC001646028504 1416602933 /nfs/dbraw/zinc/60/29/33/1416602933.db2.gz JVPXXSPCYCHTLA-IAGOWNOFSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC001646028504 1416602935 /nfs/dbraw/zinc/60/29/35/1416602935.db2.gz JVPXXSPCYCHTLA-IAGOWNOFSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1CCCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000089393542 1416769510 /nfs/dbraw/zinc/76/95/10/1416769510.db2.gz VDAOSFXMHUBLHK-IBGZPJMESA-N 1 3 344.503 2.679 20 0 EFADHO Cc1ccc(F)c(CNCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000116913142 1416993237 /nfs/dbraw/zinc/99/32/37/1416993237.db2.gz QMARVWYNOMUTTF-UHFFFAOYSA-N 1 3 328.435 2.571 20 0 EFADHO Cc1ccc(F)c(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)c1 ZINC000116913142 1416993240 /nfs/dbraw/zinc/99/32/40/1416993240.db2.gz QMARVWYNOMUTTF-UHFFFAOYSA-N 1 3 328.435 2.571 20 0 EFADHO O=C(N[C@H]1CCN(CCCCCF)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690093025 1417151131 /nfs/dbraw/zinc/15/11/31/1417151131.db2.gz GQOGMGQURUPCDK-WMZOPIPTSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(N[C@H]1CCN(CCCCCF)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001690093025 1417151135 /nfs/dbraw/zinc/15/11/35/1417151135.db2.gz GQOGMGQURUPCDK-WMZOPIPTSA-N 1 3 339.499 2.724 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136589245 1417300472 /nfs/dbraw/zinc/30/04/72/1417300472.db2.gz LCVSBPVCQASBBA-WOJBJXKFSA-N 1 3 345.487 2.503 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000155820769 1418268270 /nfs/dbraw/zinc/26/82/70/1418268270.db2.gz PSGOPKIIXKXBPR-ZDUSSCGKSA-N 1 3 347.400 2.960 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000236885608 1418432160 /nfs/dbraw/zinc/43/21/60/1418432160.db2.gz QUCVBSRWIPDUKQ-GOSISDBHSA-N 1 3 333.520 2.837 20 0 EFADHO COCC[NH+]1CCC(NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000237109223 1418517130 /nfs/dbraw/zinc/51/71/30/1418517130.db2.gz QMGLHEJBVVVFPO-UHFFFAOYSA-N 1 3 346.393 2.828 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020500104 713084837 /nfs/dbraw/zinc/08/48/37/713084837.db2.gz NSGLZECOOOWNMT-BZSNNMDCSA-N 1 3 347.478 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020500104 713084840 /nfs/dbraw/zinc/08/48/40/713084840.db2.gz NSGLZECOOOWNMT-BZSNNMDCSA-N 1 3 347.478 2.685 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NCC2(N(C)C)CCCCC2)cc1 ZINC000066242606 713080282 /nfs/dbraw/zinc/08/02/82/713080282.db2.gz AKTUHHSQNOFCLE-UHFFFAOYSA-N 1 3 332.492 2.616 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(Cl)cc1 ZINC000969588737 713179747 /nfs/dbraw/zinc/17/97/47/713179747.db2.gz RTLCDALPPYMVMQ-KBRIMQKVSA-N 1 3 335.879 2.686 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000969594998 713183067 /nfs/dbraw/zinc/18/30/67/713183067.db2.gz HBWRERBAYMJUDA-JEBQAFNWSA-N 1 3 347.890 2.612 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000969651801 713204651 /nfs/dbraw/zinc/20/46/51/713204651.db2.gz ALYQLCJVKCQGFY-YLJYHZDGSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000969651801 713204653 /nfs/dbraw/zinc/20/46/53/713204653.db2.gz ALYQLCJVKCQGFY-YLJYHZDGSA-N 1 3 343.515 2.804 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969653270 713205688 /nfs/dbraw/zinc/20/56/88/713205688.db2.gz IWDLEIKYAJZQLA-QFBILLFUSA-N 1 3 347.547 2.876 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000969704926 713223871 /nfs/dbraw/zinc/22/38/71/713223871.db2.gz SLIHRRHGJRCIBZ-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000969704926 713223873 /nfs/dbraw/zinc/22/38/73/713223873.db2.gz SLIHRRHGJRCIBZ-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969793642 713264166 /nfs/dbraw/zinc/26/41/66/713264166.db2.gz QJYHLSCWMKIMLU-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001020587676 713266651 /nfs/dbraw/zinc/26/66/51/713266651.db2.gz QCECXSSVHJVXRI-VVHMCBODSA-N 1 3 345.462 2.534 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001020587860 713266711 /nfs/dbraw/zinc/26/67/11/713266711.db2.gz XMNQYJJRICQZRG-GPMSIDNRSA-N 1 3 339.499 2.626 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001020588418 713266917 /nfs/dbraw/zinc/26/69/17/713266917.db2.gz AGRDIXXKKFCZCU-ATZDWAIDSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001020588531 713267052 /nfs/dbraw/zinc/26/70/52/713267052.db2.gz DXNTUBVDGPSAHB-NIKGAXFTSA-N 1 3 343.515 2.690 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001020586690 713267591 /nfs/dbraw/zinc/26/75/91/713267591.db2.gz VYGIISVFWOZIHN-VGWMRTNUSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001020586830 713267799 /nfs/dbraw/zinc/26/77/99/713267799.db2.gz ZVGQLDAXFSMBLP-CDHQVMDDSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001020590512 713268164 /nfs/dbraw/zinc/26/81/64/713268164.db2.gz YWRHOWXUBDPXPI-NXWXRZEISA-N 1 3 343.515 2.943 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001020589779 713268818 /nfs/dbraw/zinc/26/88/18/713268818.db2.gz CEEJODPXKQRGIA-KBAYOESNSA-N 1 3 333.520 2.535 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020592310 713269474 /nfs/dbraw/zinc/26/94/74/713269474.db2.gz BONXDJTUKVUTAE-QBYUYEEZSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001020592310 713269475 /nfs/dbraw/zinc/26/94/75/713269475.db2.gz BONXDJTUKVUTAE-QBYUYEEZSA-N 1 3 349.906 2.583 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1F ZINC001020591119 713269677 /nfs/dbraw/zinc/26/96/77/713269677.db2.gz FBGCWDPVBLKMPD-BZUAXINKSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1F ZINC001020591120 713269698 /nfs/dbraw/zinc/26/96/98/713269698.db2.gz FBGCWDPVBLKMPD-JYJNAYRXSA-N 1 3 347.478 2.855 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001020591386 713269820 /nfs/dbraw/zinc/26/98/20/713269820.db2.gz MHWCLFHTKAHIKO-QAQDUYKDSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001020591323 713269951 /nfs/dbraw/zinc/26/99/51/713269951.db2.gz KWQSLKZTXSHJNG-WBAXXEDZSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845259 713280213 /nfs/dbraw/zinc/28/02/13/713280213.db2.gz XOGQLVFJDLJBOE-BHIYHBOVSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845371 713280314 /nfs/dbraw/zinc/28/03/14/713280314.db2.gz ALRUKUONQQFGML-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845914 713280775 /nfs/dbraw/zinc/28/07/75/713280775.db2.gz LJJOZAUHSIZYNQ-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000969844888 713281243 /nfs/dbraw/zinc/28/12/43/713281243.db2.gz SZNBIBQZSQVMLN-RTBURBONSA-N 1 3 331.504 2.526 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000969947092 713319946 /nfs/dbraw/zinc/31/99/46/713319946.db2.gz AEBQFMBETLHGJM-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000969950986 713320778 /nfs/dbraw/zinc/32/07/78/713320778.db2.gz LNKRQCVIGRHYRU-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000969952363 713322286 /nfs/dbraw/zinc/32/22/86/713322286.db2.gz VLXBQOUNEMBGKX-FXAWDEMLSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC000969956550 713324071 /nfs/dbraw/zinc/32/40/71/713324071.db2.gz YRDRGPZIUQQASU-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC000969956550 713324072 /nfs/dbraw/zinc/32/40/72/713324072.db2.gz YRDRGPZIUQQASU-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000969967681 713328376 /nfs/dbraw/zinc/32/83/76/713328376.db2.gz IRKQSOLWQBNEKO-IEBWSBKVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c(C)c1 ZINC000969967431 713328447 /nfs/dbraw/zinc/32/84/47/713328447.db2.gz DHEVMFSMBDLKPR-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1)N(C)C ZINC000969985938 713334743 /nfs/dbraw/zinc/33/47/43/713334743.db2.gz PADDEXATFFTDCR-WBVHZDCISA-N 1 3 345.512 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC000969986293 713334859 /nfs/dbraw/zinc/33/48/59/713334859.db2.gz VNIUXOVNDQFPPJ-XYPHTWIQSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC000969986160 713334899 /nfs/dbraw/zinc/33/48/99/713334899.db2.gz UHGDEQLLJJRIGK-XYPHTWIQSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1)N(C)C ZINC000969990979 713336502 /nfs/dbraw/zinc/33/65/02/713336502.db2.gz BTFDTCXKQLGBJM-CJNGLKHVSA-N 1 3 341.858 2.510 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001020675735 713344464 /nfs/dbraw/zinc/34/44/64/713344464.db2.gz CTOJOVHKLLYFAP-BQFCYCMXSA-N 1 3 349.544 2.790 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001020676255 713345879 /nfs/dbraw/zinc/34/58/79/713345879.db2.gz YKDNIBSRBNITCG-BZUAXINKSA-N 1 3 343.462 2.531 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2csc(C)c2)CC[N@@H+]1C ZINC001027893149 717894199 /nfs/dbraw/zinc/89/41/99/717894199.db2.gz NZJBBPNCFSKVDY-FGTMMUONSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2csc(C)c2)CC[N@H+]1C ZINC001027893149 717894202 /nfs/dbraw/zinc/89/42/02/717894202.db2.gz NZJBBPNCFSKVDY-FGTMMUONSA-N 1 3 349.544 2.867 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020927709 713442011 /nfs/dbraw/zinc/44/20/11/713442011.db2.gz OYZFFLQWWFATHO-DDBAPUKQSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001020929501 713442719 /nfs/dbraw/zinc/44/27/19/713442719.db2.gz ZRCDSHNRJCFLRE-DJIMGWMZSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001020929501 713442721 /nfs/dbraw/zinc/44/27/21/713442721.db2.gz ZRCDSHNRJCFLRE-DJIMGWMZSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001020981891 713466237 /nfs/dbraw/zinc/46/62/37/713466237.db2.gz RFHGFCVDBSMUIR-MWQQHZPXSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001020981260 713466336 /nfs/dbraw/zinc/46/63/36/713466336.db2.gz CSZJHAMKLPXEQF-QAQDUYKDSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001027894516 717906074 /nfs/dbraw/zinc/90/60/74/717906074.db2.gz NCDALUOFUKKCLI-FHLIZLRMSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001027894516 717906078 /nfs/dbraw/zinc/90/60/78/717906078.db2.gz NCDALUOFUKKCLI-FHLIZLRMSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001021088037 713561178 /nfs/dbraw/zinc/56/11/78/713561178.db2.gz LEGNVGIKUBNMMS-BMOGMMAESA-N 1 3 343.515 2.913 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001021090013 713562044 /nfs/dbraw/zinc/56/20/44/713562044.db2.gz DYRLOIIHDGGSAG-BBBCSSEGSA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001021091907 713563198 /nfs/dbraw/zinc/56/31/98/713563198.db2.gz ZLBOEXBCVDNYEK-ZULIPRJHSA-N 1 3 343.515 2.647 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001021096738 713575073 /nfs/dbraw/zinc/57/50/73/713575073.db2.gz WPQLRRUQJPRTHJ-VGWMRTNUSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970360417 713661325 /nfs/dbraw/zinc/66/13/25/713661325.db2.gz FAGBAKWWZRADJL-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000970371945 713670460 /nfs/dbraw/zinc/67/04/60/713670460.db2.gz IJPSCLTWPBVTBA-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000970371944 713670629 /nfs/dbraw/zinc/67/06/29/713670629.db2.gz IJPSCLTWPBVTBA-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021253825 713713534 /nfs/dbraw/zinc/71/35/34/713713534.db2.gz AWNIXEJWZZCYJE-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021253825 713713536 /nfs/dbraw/zinc/71/35/36/713713536.db2.gz AWNIXEJWZZCYJE-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021254267 713714050 /nfs/dbraw/zinc/71/40/50/713714050.db2.gz JUPNGDFCLPZFNS-RZLOAHQJSA-N 1 3 339.911 2.723 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021254267 713714052 /nfs/dbraw/zinc/71/40/52/713714052.db2.gz JUPNGDFCLPZFNS-RZLOAHQJSA-N 1 3 339.911 2.723 20 0 EFADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001021400342 713873685 /nfs/dbraw/zinc/87/36/85/713873685.db2.gz UGNFBQIUMRXCEX-UXDRXVOSSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001021400342 713873686 /nfs/dbraw/zinc/87/36/86/713873686.db2.gz UGNFBQIUMRXCEX-UXDRXVOSSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001021400561 713875373 /nfs/dbraw/zinc/87/53/73/713875373.db2.gz ZNAAWPRVKAGIMO-HQSKLWIPSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001021400561 713875376 /nfs/dbraw/zinc/87/53/76/713875376.db2.gz ZNAAWPRVKAGIMO-HQSKLWIPSA-N 1 3 339.499 2.721 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000970720448 713932849 /nfs/dbraw/zinc/93/28/49/713932849.db2.gz TYWQYRAYWJUVTQ-LJQANCHMSA-N 1 3 337.467 2.626 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC000970719335 713932892 /nfs/dbraw/zinc/93/28/92/713932892.db2.gz ANXRSEAYKHYOBV-RHSMWYFYSA-N 1 3 335.879 2.687 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000970800493 714009163 /nfs/dbraw/zinc/00/91/63/714009163.db2.gz QFLFQHNTGKGQML-AEFFLSMTSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000970800493 714009167 /nfs/dbraw/zinc/00/91/67/714009167.db2.gz QFLFQHNTGKGQML-AEFFLSMTSA-N 1 3 349.906 2.905 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876516 714093791 /nfs/dbraw/zinc/09/37/91/714093791.db2.gz GUQJFIWWMMMBPU-WMZOPIPTSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876516 714093792 /nfs/dbraw/zinc/09/37/92/714093792.db2.gz GUQJFIWWMMMBPU-WMZOPIPTSA-N 1 3 343.515 2.698 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CCC2CC2)C1 ZINC000970915253 714130452 /nfs/dbraw/zinc/13/04/52/714130452.db2.gz FCRYKLBMLWIAJY-OAHLLOKOSA-N 1 3 329.488 2.598 20 0 EFADHO CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970918321 714133293 /nfs/dbraw/zinc/13/32/93/714133293.db2.gz SVVXLVDALLZUPC-HZPDHXFCSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000970930044 714145505 /nfs/dbraw/zinc/14/55/05/714145505.db2.gz VXWWTLDMCKFTEV-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604364 714164992 /nfs/dbraw/zinc/16/49/92/714164992.db2.gz CITDGRSNMJWLRB-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604364 714164996 /nfs/dbraw/zinc/16/49/96/714164996.db2.gz CITDGRSNMJWLRB-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)CC[C@@H]21)C1CCC1 ZINC001021606556 714169037 /nfs/dbraw/zinc/16/90/37/714169037.db2.gz RIKJNQRYHJFBDZ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CC3CCCC3)CC[C@@H]21)C1CCC1 ZINC001021606556 714169040 /nfs/dbraw/zinc/16/90/40/714169040.db2.gz RIKJNQRYHJFBDZ-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980247610 717959983 /nfs/dbraw/zinc/95/99/83/717959983.db2.gz RNMIOWKKLRUISP-IPMKNSEASA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980247610 717959987 /nfs/dbraw/zinc/95/99/87/717959987.db2.gz RNMIOWKKLRUISP-IPMKNSEASA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670761 714273762 /nfs/dbraw/zinc/27/37/62/714273762.db2.gz OHWPUUZKYRQTOW-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670761 714273764 /nfs/dbraw/zinc/27/37/64/714273764.db2.gz OHWPUUZKYRQTOW-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001021676634 714287038 /nfs/dbraw/zinc/28/70/38/714287038.db2.gz DAAUNPNMGAAJSP-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001021676634 714287039 /nfs/dbraw/zinc/28/70/39/714287039.db2.gz DAAUNPNMGAAJSP-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679143 714289427 /nfs/dbraw/zinc/28/94/27/714289427.db2.gz MEJABHLDLPPBRZ-WBVHZDCISA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679143 714289428 /nfs/dbraw/zinc/28/94/28/714289428.db2.gz MEJABHLDLPPBRZ-WBVHZDCISA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680131 714291951 /nfs/dbraw/zinc/29/19/51/714291951.db2.gz VYEGMBKZDIWIPD-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680131 714291955 /nfs/dbraw/zinc/29/19/55/714291955.db2.gz VYEGMBKZDIWIPD-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680138 714292139 /nfs/dbraw/zinc/29/21/39/714292139.db2.gz VYEGMBKZDIWIPD-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021680138 714292140 /nfs/dbraw/zinc/29/21/40/714292140.db2.gz VYEGMBKZDIWIPD-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC1 ZINC000891348550 714435413 /nfs/dbraw/zinc/43/54/13/714435413.db2.gz DTGBNNQWGRWCSH-WDSOQIARSA-N 1 3 344.503 2.640 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC(C)(C)[NH3+])c1ccsc1 ZINC000891349300 714437034 /nfs/dbraw/zinc/43/70/34/714437034.db2.gz SSGRTFHBZAFOTI-CQSZACIVSA-N 1 3 326.510 2.558 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200257 714461158 /nfs/dbraw/zinc/46/11/58/714461158.db2.gz GAEJOUPVWPQYPV-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200257 714461159 /nfs/dbraw/zinc/46/11/59/714461159.db2.gz GAEJOUPVWPQYPV-ICSRJNTNSA-N 1 3 343.515 2.937 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200186 714461248 /nfs/dbraw/zinc/46/12/48/714461248.db2.gz FOEBLDCZRFRAIY-ICSRJNTNSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200186 714461250 /nfs/dbraw/zinc/46/12/50/714461250.db2.gz FOEBLDCZRFRAIY-ICSRJNTNSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2Cl)C1 ZINC000971202485 714462489 /nfs/dbraw/zinc/46/24/89/714462489.db2.gz XOOSDXFCATZTBL-AEFFLSMTSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2Cl)C1 ZINC000971202485 714462491 /nfs/dbraw/zinc/46/24/91/714462491.db2.gz XOOSDXFCATZTBL-AEFFLSMTSA-N 1 3 349.906 2.509 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203150 714463098 /nfs/dbraw/zinc/46/30/98/714463098.db2.gz DHAMNKCOTZGCRA-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203150 714463099 /nfs/dbraw/zinc/46/30/99/714463099.db2.gz DHAMNKCOTZGCRA-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203148 714463128 /nfs/dbraw/zinc/46/31/28/714463128.db2.gz DHAMNKCOTZGCRA-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203148 714463129 /nfs/dbraw/zinc/46/31/29/714463129.db2.gz DHAMNKCOTZGCRA-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203047 714463158 /nfs/dbraw/zinc/46/31/58/714463158.db2.gz BQGPPSQYKIZQDB-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203047 714463159 /nfs/dbraw/zinc/46/31/59/714463159.db2.gz BQGPPSQYKIZQDB-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203049 714463172 /nfs/dbraw/zinc/46/31/72/714463172.db2.gz BQGPPSQYKIZQDB-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000971203049 714463173 /nfs/dbraw/zinc/46/31/73/714463173.db2.gz BQGPPSQYKIZQDB-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971204102 714463384 /nfs/dbraw/zinc/46/33/84/714463384.db2.gz ILTYVCRRSAVZJI-ROUUACIJSA-N 1 3 349.906 2.775 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971204102 714463385 /nfs/dbraw/zinc/46/33/85/714463385.db2.gz ILTYVCRRSAVZJI-ROUUACIJSA-N 1 3 349.906 2.775 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206017 714463612 /nfs/dbraw/zinc/46/36/12/714463612.db2.gz YRILLIXFBIWCEL-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC000971206017 714463613 /nfs/dbraw/zinc/46/36/13/714463613.db2.gz YRILLIXFBIWCEL-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980249474 717978107 /nfs/dbraw/zinc/97/81/07/717978107.db2.gz ZNQCEYZTGWAKJK-ZCNNSNEGSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980249474 717978114 /nfs/dbraw/zinc/97/81/14/717978114.db2.gz ZNQCEYZTGWAKJK-ZCNNSNEGSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3csc(C)c3)C2)CC[N@@H+]1C ZINC000971566823 714710540 /nfs/dbraw/zinc/71/05/40/714710540.db2.gz JWFZVTRIEYKVJF-OKZBNKHCSA-N 1 3 349.544 2.820 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC000971566823 714710544 /nfs/dbraw/zinc/71/05/44/714710544.db2.gz JWFZVTRIEYKVJF-OKZBNKHCSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001022076753 714731137 /nfs/dbraw/zinc/73/11/37/714731137.db2.gz BQCXADFECMTSPP-KDURUIRLSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)N1CCCCC1 ZINC001022081861 714735193 /nfs/dbraw/zinc/73/51/93/714735193.db2.gz PSTBGQLNBRSMIN-GASCZTMLSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000891459112 714764343 /nfs/dbraw/zinc/76/43/43/714764343.db2.gz IPJBYWKGDFFJJT-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000891459782 714765888 /nfs/dbraw/zinc/76/58/88/714765888.db2.gz KZFGAXHGTRYJLP-OALUTQOASA-N 1 3 344.503 2.525 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639785 714795269 /nfs/dbraw/zinc/79/52/69/714795269.db2.gz BPEVKFJMMKFRBS-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639785 714795271 /nfs/dbraw/zinc/79/52/71/714795271.db2.gz BPEVKFJMMKFRBS-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971674747 714870714 /nfs/dbraw/zinc/87/07/14/714870714.db2.gz WLGPLIBCUKZPJA-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971674747 714870717 /nfs/dbraw/zinc/87/07/17/714870717.db2.gz WLGPLIBCUKZPJA-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971678537 714875535 /nfs/dbraw/zinc/87/55/35/714875535.db2.gz NVGIPWGEQPVKJL-IBGZPJMESA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971678537 714875538 /nfs/dbraw/zinc/87/55/38/714875538.db2.gz NVGIPWGEQPVKJL-IBGZPJMESA-N 1 3 343.515 2.555 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675585 714875913 /nfs/dbraw/zinc/87/59/13/714875913.db2.gz ZKQTYGZEEZNPGD-AEFFLSMTSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675585 714875915 /nfs/dbraw/zinc/87/59/15/714875915.db2.gz ZKQTYGZEEZNPGD-AEFFLSMTSA-N 1 3 329.488 2.765 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681056 714879633 /nfs/dbraw/zinc/87/96/33/714879633.db2.gz BEAFYHREIZRRKN-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681056 714879634 /nfs/dbraw/zinc/87/96/34/714879634.db2.gz BEAFYHREIZRRKN-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000971688577 714883528 /nfs/dbraw/zinc/88/35/28/714883528.db2.gz YGYVGRLXLCFKFI-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CCC1 ZINC000971688577 714883529 /nfs/dbraw/zinc/88/35/29/714883529.db2.gz YGYVGRLXLCFKFI-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1F ZINC000971685703 714884908 /nfs/dbraw/zinc/88/49/08/714884908.db2.gz OEVAQAASERTNJN-HKUYNNGSSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1F ZINC000971685706 714884914 /nfs/dbraw/zinc/88/49/14/714884914.db2.gz OEVAQAASERTNJN-PKOBYXMFSA-N 1 3 347.478 2.507 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685737 714885085 /nfs/dbraw/zinc/88/50/85/714885085.db2.gz OVOVHUFGZWJVDZ-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685737 714885087 /nfs/dbraw/zinc/88/50/87/714885087.db2.gz OVOVHUFGZWJVDZ-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686010 714885476 /nfs/dbraw/zinc/88/54/76/714885476.db2.gz QHZWWUOYZYNUDH-MOPGFXCFSA-N 1 3 347.478 2.529 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686010 714885479 /nfs/dbraw/zinc/88/54/79/714885479.db2.gz QHZWWUOYZYNUDH-MOPGFXCFSA-N 1 3 347.478 2.529 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686283 714885686 /nfs/dbraw/zinc/88/56/86/714885686.db2.gz CBOYNZCQCGLWIU-FQEVSTJZSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686283 714885688 /nfs/dbraw/zinc/88/56/88/714885688.db2.gz CBOYNZCQCGLWIU-FQEVSTJZSA-N 1 3 343.515 2.555 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000891640027 714893427 /nfs/dbraw/zinc/89/34/27/714893427.db2.gz LWMWVJGOIMKXKD-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971729709 714919406 /nfs/dbraw/zinc/91/94/06/714919406.db2.gz MVLDVMJRWXZABD-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971729709 714919408 /nfs/dbraw/zinc/91/94/08/714919408.db2.gz MVLDVMJRWXZABD-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971730112 714919605 /nfs/dbraw/zinc/91/96/05/714919605.db2.gz PBLCNGXYIXYLPX-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971730112 714919607 /nfs/dbraw/zinc/91/96/07/714919607.db2.gz PBLCNGXYIXYLPX-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971730117 714919692 /nfs/dbraw/zinc/91/96/92/714919692.db2.gz PBLCNGXYIXYLPX-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971730117 714919694 /nfs/dbraw/zinc/91/96/94/714919694.db2.gz PBLCNGXYIXYLPX-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971737787 714923036 /nfs/dbraw/zinc/92/30/36/714923036.db2.gz ZVIDCVPPTOAUSM-MOPGFXCFSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971736815 714924705 /nfs/dbraw/zinc/92/47/05/714924705.db2.gz SMQSLBSSNXWJLO-QUCCMNQESA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971736815 714924706 /nfs/dbraw/zinc/92/47/06/714924706.db2.gz SMQSLBSSNXWJLO-QUCCMNQESA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000971778261 714956601 /nfs/dbraw/zinc/95/66/01/714956601.db2.gz MDTKWCBSERBGBV-IEBWSBKVSA-N 1 3 342.487 2.541 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000971778261 714956603 /nfs/dbraw/zinc/95/66/03/714956603.db2.gz MDTKWCBSERBGBV-IEBWSBKVSA-N 1 3 342.487 2.541 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971778632 714957021 /nfs/dbraw/zinc/95/70/21/714957021.db2.gz PHPZHYCJQKTAAN-VQTJNVASSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971778632 714957023 /nfs/dbraw/zinc/95/70/23/714957023.db2.gz PHPZHYCJQKTAAN-VQTJNVASSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000971784925 714958280 /nfs/dbraw/zinc/95/82/80/714958280.db2.gz NUNAYMXAASMNRN-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000971784925 714958281 /nfs/dbraw/zinc/95/82/81/714958281.db2.gz NUNAYMXAASMNRN-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cc1F ZINC000971800713 714989708 /nfs/dbraw/zinc/98/97/08/714989708.db2.gz LLAMCMCQILOFOI-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)cc1F ZINC000971800713 714989711 /nfs/dbraw/zinc/98/97/11/714989711.db2.gz LLAMCMCQILOFOI-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022585291 715234782 /nfs/dbraw/zinc/23/47/82/715234782.db2.gz NSGLZECOOOWNMT-KURKYZTESA-N 1 3 347.478 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022585291 715234784 /nfs/dbraw/zinc/23/47/84/715234784.db2.gz NSGLZECOOOWNMT-KURKYZTESA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001022648505 715274256 /nfs/dbraw/zinc/27/42/56/715274256.db2.gz WAGYSLHKDAKABX-BMFZPTHFSA-N 1 3 349.906 2.980 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068877 715289620 /nfs/dbraw/zinc/28/96/20/715289620.db2.gz FSTYHKAVFUNKLE-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943110 715363204 /nfs/dbraw/zinc/36/32/04/715363204.db2.gz DDAGAAPHNUZOAA-ROUUACIJSA-N 1 3 335.536 2.901 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943110 715363211 /nfs/dbraw/zinc/36/32/11/715363211.db2.gz DDAGAAPHNUZOAA-ROUUACIJSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001022710291 715401152 /nfs/dbraw/zinc/40/11/52/715401152.db2.gz CQZGCHRPHLVYTF-QRVBRYPASA-N 1 3 343.515 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001022710322 715401647 /nfs/dbraw/zinc/40/16/47/715401647.db2.gz DVMFOGHGLNSRCR-BHYGNILZSA-N 1 3 341.455 2.654 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038238203 715407159 /nfs/dbraw/zinc/40/71/59/715407159.db2.gz GFZIVKXSGZQSQI-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038238203 715407163 /nfs/dbraw/zinc/40/71/63/715407163.db2.gz GFZIVKXSGZQSQI-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038238205 715407256 /nfs/dbraw/zinc/40/72/56/715407256.db2.gz GFZIVKXSGZQSQI-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038238205 715407260 /nfs/dbraw/zinc/40/72/60/715407260.db2.gz GFZIVKXSGZQSQI-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038238206 715407644 /nfs/dbraw/zinc/40/76/44/715407644.db2.gz GFZIVKXSGZQSQI-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038238206 715407648 /nfs/dbraw/zinc/40/76/48/715407648.db2.gz GFZIVKXSGZQSQI-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001022712285 715407982 /nfs/dbraw/zinc/40/79/82/715407982.db2.gz ONWSWXDKGQARMJ-OQIJWPOYSA-N 1 3 329.488 2.859 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712227 715408040 /nfs/dbraw/zinc/40/80/40/715408040.db2.gz MWQXXDPVDCUNTQ-TVFCKZIOSA-N 1 3 329.488 2.777 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001022712283 715408236 /nfs/dbraw/zinc/40/82/36/715408236.db2.gz ONWSWXDKGQARMJ-GDAAHCPNSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001022712216 715408275 /nfs/dbraw/zinc/40/82/75/715408275.db2.gz MQOJYFWKFYROAL-ZTENYAIWSA-N 1 3 345.462 2.534 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001027068941 715409661 /nfs/dbraw/zinc/40/96/61/715409661.db2.gz HRFJZHXMKSZFNS-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001022712033 715410410 /nfs/dbraw/zinc/41/04/10/715410410.db2.gz IWFZPGNFKQEAAH-LZQZEXGQSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001022712447 715411371 /nfs/dbraw/zinc/41/13/71/715411371.db2.gz QMXBKSRSAFTYAK-BMFZPTHFSA-N 1 3 335.879 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001022712448 715411661 /nfs/dbraw/zinc/41/16/61/715411661.db2.gz QMXBKSRSAFTYAK-CWRNSKLLSA-N 1 3 335.879 2.561 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001022713026 715413960 /nfs/dbraw/zinc/41/39/60/715413960.db2.gz HIKQXLKXVMESIF-KANFNMMFSA-N 1 3 329.488 2.716 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027062862 715414379 /nfs/dbraw/zinc/41/43/79/715414379.db2.gz CTTOBGLLEQJBCA-QZTJIDSGSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063228 715415451 /nfs/dbraw/zinc/41/54/51/715415451.db2.gz JFIUXLYCQDBYNM-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027063464 715416081 /nfs/dbraw/zinc/41/60/81/715416081.db2.gz LNMDKWHYECZWDE-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1Cl ZINC001022713587 715416557 /nfs/dbraw/zinc/41/65/57/715416557.db2.gz KXKJHJCCHYYMLW-FPCVCCKLSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001027063760 715416704 /nfs/dbraw/zinc/41/67/04/715416704.db2.gz RHIZWTGSYHKPGZ-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063834 715417423 /nfs/dbraw/zinc/41/74/23/715417423.db2.gz SUZQMPUYBXENID-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1F ZINC001027064225 715417956 /nfs/dbraw/zinc/41/79/56/715417956.db2.gz ZJZCXOUVXGQCKX-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC001027064808 715418826 /nfs/dbraw/zinc/41/88/26/715418826.db2.gz KTFYJGZCGFYBKO-RHSMWYFYSA-N 1 3 349.544 2.645 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC001027064807 715419091 /nfs/dbraw/zinc/41/90/91/715419091.db2.gz KTFYJGZCGFYBKO-PBHICJAKSA-N 1 3 349.544 2.645 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC001027065265 715420190 /nfs/dbraw/zinc/42/01/90/715420190.db2.gz VAUSCJGRNARITD-CVEARBPZSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001027065505 715421286 /nfs/dbraw/zinc/42/12/86/715421286.db2.gz ZGNFJYJIQKRNMG-MJGOQNOKSA-N 1 3 347.547 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001027065403 715421404 /nfs/dbraw/zinc/42/14/04/715421404.db2.gz YATQOBOGPNKSDW-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027065885 715422173 /nfs/dbraw/zinc/42/21/73/715422173.db2.gz GLFXZXCDCCRMKI-MRXNPFEDSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001022714485 715423250 /nfs/dbraw/zinc/42/32/50/715423250.db2.gz VNQLQLMAVLOLCH-DQEVTTJGSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001022714491 715423311 /nfs/dbraw/zinc/42/33/11/715423311.db2.gz VNQLQLMAVLOLCH-WQANXHIZSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1F ZINC001022716677 715433825 /nfs/dbraw/zinc/43/38/25/715433825.db2.gz FBGCWDPVBLKMPD-OAGGEKHMSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c(C)s1 ZINC001022716785 715434501 /nfs/dbraw/zinc/43/45/01/715434501.db2.gz IGMTWYILRPFWKK-CALCHBBNSA-N 1 3 349.544 2.834 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001022717445 715436790 /nfs/dbraw/zinc/43/67/90/715436790.db2.gz WTACOZZBOHBRCP-IYBDPMFKSA-N 1 3 349.906 2.809 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001022717491 715436823 /nfs/dbraw/zinc/43/68/23/715436823.db2.gz YVZWJRZDSKRQIW-HDICACEKSA-N 1 3 347.547 2.926 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001022721509 715447634 /nfs/dbraw/zinc/44/76/34/715447634.db2.gz XQCNGGGVMKFBMC-LLLHUVSDSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c(Cl)c1 ZINC001022721509 715447637 /nfs/dbraw/zinc/44/76/37/715447637.db2.gz XQCNGGGVMKFBMC-LLLHUVSDSA-N 1 3 349.906 2.583 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CN(CCCF)CC2(C)C)cc1 ZINC000975061041 715463640 /nfs/dbraw/zinc/46/36/40/715463640.db2.gz KKBOTYXBCMAKSX-GOSISDBHSA-N 1 3 349.494 2.591 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331268 715465926 /nfs/dbraw/zinc/46/59/26/715465926.db2.gz FDVKJUVDDDWQOB-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331268 715465927 /nfs/dbraw/zinc/46/59/27/715465927.db2.gz FDVKJUVDDDWQOB-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001027069830 715492651 /nfs/dbraw/zinc/49/26/51/715492651.db2.gz CIDGDOGFZPOFFS-WBVHZDCISA-N 1 3 337.895 2.618 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001027070602 715494696 /nfs/dbraw/zinc/49/46/96/715494696.db2.gz UQPNPKDESKHAFT-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC001027090590 715543365 /nfs/dbraw/zinc/54/33/65/715543365.db2.gz SJVVIBUCEBRNSP-KGLIPLIRSA-N 1 3 346.862 2.805 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091326 715544549 /nfs/dbraw/zinc/54/45/49/715544549.db2.gz JVIFFJRLGARXRX-IRXDYDNUSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091072 715544703 /nfs/dbraw/zinc/54/47/03/715544703.db2.gz CSBMHDCGQMLUMG-CQSZACIVSA-N 1 3 346.862 2.552 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000972231507 715569305 /nfs/dbraw/zinc/56/93/05/715569305.db2.gz GKXKHICHMIFHGV-SFHVURJKSA-N 1 3 349.544 2.739 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233925 715572802 /nfs/dbraw/zinc/57/28/02/715572802.db2.gz CSPJMWOBBIFCKL-GOSISDBHSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235580 715575519 /nfs/dbraw/zinc/57/55/19/715575519.db2.gz QDSVCGKDWCQGSG-LJQANCHMSA-N 1 3 347.478 2.509 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972262330 715606849 /nfs/dbraw/zinc/60/68/49/715606849.db2.gz BFOMBGOLISVISR-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972262330 715606854 /nfs/dbraw/zinc/60/68/54/715606854.db2.gz BFOMBGOLISVISR-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972264739 715610787 /nfs/dbraw/zinc/61/07/87/715610787.db2.gz HHWJLZSNGMBAAK-RTBURBONSA-N 1 3 349.494 2.753 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972268096 715615788 /nfs/dbraw/zinc/61/57/88/715615788.db2.gz WMZWPHKLFNTNCT-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972268096 715615791 /nfs/dbraw/zinc/61/57/91/715615791.db2.gz WMZWPHKLFNTNCT-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO CC(C)CCN1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000926415501 715656975 /nfs/dbraw/zinc/65/69/75/715656975.db2.gz SZKRTPLJGXYZMO-UHFFFAOYSA-N 1 3 343.313 2.746 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000972329999 715697560 /nfs/dbraw/zinc/69/75/60/715697560.db2.gz CTTAPUJOWKYYGB-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000972329999 715697563 /nfs/dbraw/zinc/69/75/63/715697563.db2.gz CTTAPUJOWKYYGB-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000972330458 715701254 /nfs/dbraw/zinc/70/12/54/715701254.db2.gz GNGCJOPDUWMHTQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000972330458 715701259 /nfs/dbraw/zinc/70/12/59/715701259.db2.gz GNGCJOPDUWMHTQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000972332247 715702897 /nfs/dbraw/zinc/70/28/97/715702897.db2.gz BLTNZKNQSPBASH-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000972332247 715702904 /nfs/dbraw/zinc/70/29/04/715702904.db2.gz BLTNZKNQSPBASH-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO C[N@H+](CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410689 715703659 /nfs/dbraw/zinc/70/36/59/715703659.db2.gz GOYMLVKBZFYUFL-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCC1)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410689 715703661 /nfs/dbraw/zinc/70/36/61/715703661.db2.gz GOYMLVKBZFYUFL-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972331399 715703910 /nfs/dbraw/zinc/70/39/10/715703910.db2.gz KOZSGUISOWDKFV-AZUAARDMSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972331399 715703914 /nfs/dbraw/zinc/70/39/14/715703914.db2.gz KOZSGUISOWDKFV-AZUAARDMSA-N 1 3 343.515 2.555 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333910 715707241 /nfs/dbraw/zinc/70/72/41/715707241.db2.gz ZHTQFMNNSFRFQN-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333910 715707247 /nfs/dbraw/zinc/70/72/47/715707247.db2.gz ZHTQFMNNSFRFQN-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333908 715707366 /nfs/dbraw/zinc/70/73/66/715707366.db2.gz ZHTQFMNNSFRFQN-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333908 715707370 /nfs/dbraw/zinc/70/73/70/715707370.db2.gz ZHTQFMNNSFRFQN-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334151 715707537 /nfs/dbraw/zinc/70/75/37/715707537.db2.gz DXVNVCAPZSABEF-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334151 715707539 /nfs/dbraw/zinc/70/75/39/715707539.db2.gz DXVNVCAPZSABEF-PKOBYXMFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027408737 715707949 /nfs/dbraw/zinc/70/79/49/715707949.db2.gz WWXMSWMUYVHLIC-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027408737 715707953 /nfs/dbraw/zinc/70/79/53/715707953.db2.gz WWXMSWMUYVHLIC-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC001027408738 715708321 /nfs/dbraw/zinc/70/83/21/715708321.db2.gz WWXMSWMUYVHLIC-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027408738 715708327 /nfs/dbraw/zinc/70/83/27/715708327.db2.gz WWXMSWMUYVHLIC-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000972334492 715708754 /nfs/dbraw/zinc/70/87/54/715708754.db2.gz HHMNPTOEDMDDHJ-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000972334492 715708757 /nfs/dbraw/zinc/70/87/57/715708757.db2.gz HHMNPTOEDMDDHJ-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972334763 715709085 /nfs/dbraw/zinc/70/90/85/715709085.db2.gz JNKYYVVXKBDINS-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972334763 715709088 /nfs/dbraw/zinc/70/90/88/715709088.db2.gz JNKYYVVXKBDINS-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1F ZINC000972334943 715709695 /nfs/dbraw/zinc/70/96/95/715709695.db2.gz LPOLLFCZIIDEHU-CRAIPNDOSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1F ZINC000972334943 715709697 /nfs/dbraw/zinc/70/96/97/715709697.db2.gz LPOLLFCZIIDEHU-CRAIPNDOSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336051 715711310 /nfs/dbraw/zinc/71/13/10/715711310.db2.gz UOCOLFFHRXOYCH-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336051 715711315 /nfs/dbraw/zinc/71/13/15/715711315.db2.gz UOCOLFFHRXOYCH-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972336517 715712807 /nfs/dbraw/zinc/71/28/07/715712807.db2.gz XVQCDPMPOUNCDI-KXBFYZLASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972336517 715712811 /nfs/dbraw/zinc/71/28/11/715712811.db2.gz XVQCDPMPOUNCDI-KXBFYZLASA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414342 715715465 /nfs/dbraw/zinc/71/54/65/715715465.db2.gz MZERRYLRJZKJMH-ZWKOTPCHSA-N 1 3 347.528 2.513 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)s1 ZINC000972339971 715720323 /nfs/dbraw/zinc/72/03/23/715720323.db2.gz QAZDLHJPAYZXII-KDOFPFPSSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)s1 ZINC000972339971 715720326 /nfs/dbraw/zinc/72/03/26/715720326.db2.gz QAZDLHJPAYZXII-KDOFPFPSSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@@H+]1C ZINC001027417101 715721965 /nfs/dbraw/zinc/72/19/65/715721965.db2.gz UQMNQHNUSSADSU-DJIMGWMZSA-N 1 3 335.517 2.511 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001027417101 715721969 /nfs/dbraw/zinc/72/19/69/715721969.db2.gz UQMNQHNUSSADSU-DJIMGWMZSA-N 1 3 335.517 2.511 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001022808620 715730626 /nfs/dbraw/zinc/73/06/26/715730626.db2.gz YKDNIBSRBNITCG-OWCLPIDISA-N 1 3 343.462 2.531 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000972353823 715738879 /nfs/dbraw/zinc/73/88/79/715738879.db2.gz IXGDJNWXKWPORK-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000972353823 715738881 /nfs/dbraw/zinc/73/88/81/715738881.db2.gz IXGDJNWXKWPORK-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000972354198 715739624 /nfs/dbraw/zinc/73/96/24/715739624.db2.gz KBIGSTMLHLTZHQ-SJORKVTESA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C1)N(C)C ZINC000972354198 715739625 /nfs/dbraw/zinc/73/96/25/715739625.db2.gz KBIGSTMLHLTZHQ-SJORKVTESA-N 1 3 337.533 2.738 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000972354751 715740874 /nfs/dbraw/zinc/74/08/74/715740874.db2.gz OKTRSWRZTFQQJJ-WMZOPIPTSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000972354751 715740877 /nfs/dbraw/zinc/74/08/77/715740877.db2.gz OKTRSWRZTFQQJJ-WMZOPIPTSA-N 1 3 335.467 2.507 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001027441302 715811314 /nfs/dbraw/zinc/81/13/14/715811314.db2.gz UIOUKWWXPKFGJS-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001027441302 715811316 /nfs/dbraw/zinc/81/13/16/715811316.db2.gz UIOUKWWXPKFGJS-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001027443163 715816453 /nfs/dbraw/zinc/81/64/53/715816453.db2.gz JKOAYGMLNOOWFQ-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001027443163 715816456 /nfs/dbraw/zinc/81/64/56/715816456.db2.gz JKOAYGMLNOOWFQ-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443776 715818327 /nfs/dbraw/zinc/81/83/27/715818327.db2.gz NYTKDIZMEKXCRE-AEFFLSMTSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443776 715818330 /nfs/dbraw/zinc/81/83/30/715818330.db2.gz NYTKDIZMEKXCRE-AEFFLSMTSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444751 715821217 /nfs/dbraw/zinc/82/12/17/715821217.db2.gz VDFRVNSEWIRGQO-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444751 715821220 /nfs/dbraw/zinc/82/12/20/715821220.db2.gz VDFRVNSEWIRGQO-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001027442594 715823948 /nfs/dbraw/zinc/82/39/48/715823948.db2.gz YSPXMYQSTAULCG-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001027442594 715823951 /nfs/dbraw/zinc/82/39/51/715823951.db2.gz YSPXMYQSTAULCG-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO C[N@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCCc2ccccc21 ZINC000972424434 715875332 /nfs/dbraw/zinc/87/53/32/715875332.db2.gz BBXAWZOYKDGYOW-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@H]1CCCc2ccccc21 ZINC000972424434 715875338 /nfs/dbraw/zinc/87/53/38/715875338.db2.gz BBXAWZOYKDGYOW-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027460018 715876382 /nfs/dbraw/zinc/87/63/82/715876382.db2.gz FPFHRTVMQZTXDB-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027460018 715876389 /nfs/dbraw/zinc/87/63/89/715876389.db2.gz FPFHRTVMQZTXDB-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027461531 715891954 /nfs/dbraw/zinc/89/19/54/715891954.db2.gz MLHSIAANDUGMHE-PKOBYXMFSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027461531 715891960 /nfs/dbraw/zinc/89/19/60/715891960.db2.gz MLHSIAANDUGMHE-PKOBYXMFSA-N 1 3 349.494 2.631 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001027216560 715920843 /nfs/dbraw/zinc/92/08/43/715920843.db2.gz AUKBUECJDNXLCT-JKSUJKDBSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000985467738 724435460 /nfs/dbraw/zinc/43/54/60/724435460.db2.gz NADKKRJBRGBHQB-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000985467738 724435461 /nfs/dbraw/zinc/43/54/61/724435461.db2.gz NADKKRJBRGBHQB-HXUWFJFHSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)C1CCC1 ZINC000985467754 724435592 /nfs/dbraw/zinc/43/55/92/724435592.db2.gz NDQGRLNASMRDQO-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)C1CCC1 ZINC000985467754 724435593 /nfs/dbraw/zinc/43/55/93/724435593.db2.gz NDQGRLNASMRDQO-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027235611 715949465 /nfs/dbraw/zinc/94/94/65/715949465.db2.gz SWKKWVDNPNXUDM-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001027235561 715949528 /nfs/dbraw/zinc/94/95/28/715949528.db2.gz SISHQKGLKUIMSU-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027235990 715949943 /nfs/dbraw/zinc/94/99/43/715949943.db2.gz ZOQAVLXHSYDUKN-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001027235299 715957884 /nfs/dbraw/zinc/95/78/84/715957884.db2.gz OTRNKJACIZLBGD-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001027235206 715957931 /nfs/dbraw/zinc/95/79/31/715957931.db2.gz MDIHWEZJRYOSSE-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CSC1(CN[C@@H](C)c2cnnn2-c2ccccc2)CC[NH+](C)CC1 ZINC000926448284 715968337 /nfs/dbraw/zinc/96/83/37/715968337.db2.gz NADRLMHOJGQTCQ-HNNXBMFYSA-N 1 3 345.516 2.745 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC000985469548 724439376 /nfs/dbraw/zinc/43/93/76/724439376.db2.gz GBDSIRNJJYAMAP-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC000985469548 724439377 /nfs/dbraw/zinc/43/93/77/724439377.db2.gz GBDSIRNJJYAMAP-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001029001789 722620037 /nfs/dbraw/zinc/62/00/37/722620037.db2.gz CFMFWTRXIPXZQH-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001029001789 722620040 /nfs/dbraw/zinc/62/00/40/722620040.db2.gz CFMFWTRXIPXZQH-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001023024650 716093920 /nfs/dbraw/zinc/09/39/20/716093920.db2.gz DHEPOQZEECJSRD-OIISXLGYSA-N 1 3 340.471 2.875 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001023086315 716141379 /nfs/dbraw/zinc/14/13/79/716141379.db2.gz ICYMLCZISCZJIT-LJISPDSOSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001023086315 716141382 /nfs/dbraw/zinc/14/13/82/716141382.db2.gz ICYMLCZISCZJIT-LJISPDSOSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001023124315 716163122 /nfs/dbraw/zinc/16/31/22/716163122.db2.gz FPKYKUDCWBBWHK-STEAMIEHSA-N 1 3 347.478 2.766 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001023124281 716163135 /nfs/dbraw/zinc/16/31/35/716163135.db2.gz DYRLOIIHDGGSAG-SMOSDQRPSA-N 1 3 343.515 2.859 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)c1 ZINC001023130354 716165772 /nfs/dbraw/zinc/16/57/72/716165772.db2.gz KKDDDMSMHGDSRH-HSALFYBXSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001023131162 716166091 /nfs/dbraw/zinc/16/60/91/716166091.db2.gz YDAMOSOOMHJNAW-IXDOHACOSA-N 1 3 335.517 2.668 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650624 716338472 /nfs/dbraw/zinc/33/84/72/716338472.db2.gz IDZMVGXNKKWRHA-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650624 716338478 /nfs/dbraw/zinc/33/84/78/716338478.db2.gz IDZMVGXNKKWRHA-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001027650625 716338716 /nfs/dbraw/zinc/33/87/16/716338716.db2.gz IDZMVGXNKKWRHA-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001027650625 716338720 /nfs/dbraw/zinc/33/87/20/716338720.db2.gz IDZMVGXNKKWRHA-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038269993 716367386 /nfs/dbraw/zinc/36/73/86/716367386.db2.gz RLXUWKCRLLZSPT-UXHICEINSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597847 716382041 /nfs/dbraw/zinc/38/20/41/716382041.db2.gz IKYNGVWRVBKBNI-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)c1 ZINC000977597847 716382045 /nfs/dbraw/zinc/38/20/45/716382045.db2.gz IKYNGVWRVBKBNI-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637476 716415558 /nfs/dbraw/zinc/41/55/58/716415558.db2.gz GGFRLEXGNJJYMM-MAUKXSAKSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637476 716415560 /nfs/dbraw/zinc/41/55/60/716415560.db2.gz GGFRLEXGNJJYMM-MAUKXSAKSA-N 1 3 349.494 2.937 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622116 716422999 /nfs/dbraw/zinc/42/29/99/716422999.db2.gz ONMHIQRKFZVENG-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622116 716423000 /nfs/dbraw/zinc/42/30/00/716423000.db2.gz ONMHIQRKFZVENG-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023402258 716423515 /nfs/dbraw/zinc/42/35/15/716423515.db2.gz JFRJWCOHIXHXLK-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023402258 716423517 /nfs/dbraw/zinc/42/35/17/716423517.db2.gz JFRJWCOHIXHXLK-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](c1ccccc1F)N1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977624070 716425063 /nfs/dbraw/zinc/42/50/63/716425063.db2.gz PPJKCIPJOUMXFP-QAPCUYQASA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978794747 716443919 /nfs/dbraw/zinc/44/39/19/716443919.db2.gz FFLZNBRVANNBFS-OKYOBFRVSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978794747 716443922 /nfs/dbraw/zinc/44/39/22/716443922.db2.gz FFLZNBRVANNBFS-OKYOBFRVSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027564469 716593580 /nfs/dbraw/zinc/59/35/80/716593580.db2.gz YMNBSFUIHBZHGN-ZWKOTPCHSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027564469 716593586 /nfs/dbraw/zinc/59/35/86/716593586.db2.gz YMNBSFUIHBZHGN-ZWKOTPCHSA-N 1 3 337.552 2.932 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000978953570 716599865 /nfs/dbraw/zinc/59/98/65/716599865.db2.gz VGUFSPATEMCXIZ-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000978953570 716599868 /nfs/dbraw/zinc/59/98/68/716599868.db2.gz VGUFSPATEMCXIZ-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001027575530 716686045 /nfs/dbraw/zinc/68/60/45/716686045.db2.gz AXMXSPABEAYYRB-UYAOXDASSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001027575530 716686049 /nfs/dbraw/zinc/68/60/49/716686049.db2.gz AXMXSPABEAYYRB-UYAOXDASSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979079320 716697391 /nfs/dbraw/zinc/69/73/91/716697391.db2.gz PNUKZUFKSWXQQT-OWZKRDHZSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979079320 716697395 /nfs/dbraw/zinc/69/73/95/716697395.db2.gz PNUKZUFKSWXQQT-OWZKRDHZSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576913 716700388 /nfs/dbraw/zinc/70/03/88/716700388.db2.gz ZMTDPDUXEIWSIX-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576913 716700392 /nfs/dbraw/zinc/70/03/92/716700392.db2.gz ZMTDPDUXEIWSIX-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576922 716700454 /nfs/dbraw/zinc/70/04/54/716700454.db2.gz ZRQFREOEOSZGIK-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576922 716700456 /nfs/dbraw/zinc/70/04/56/716700456.db2.gz ZRQFREOEOSZGIK-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027575684 716704569 /nfs/dbraw/zinc/70/45/69/716704569.db2.gz CDNFXXVFPCFMFU-XLIONFOSSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027575684 716704571 /nfs/dbraw/zinc/70/45/71/716704571.db2.gz CDNFXXVFPCFMFU-XLIONFOSSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575889 716707638 /nfs/dbraw/zinc/70/76/38/716707638.db2.gz GGNKPIPMOVFEKP-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575889 716707642 /nfs/dbraw/zinc/70/76/42/716707642.db2.gz GGNKPIPMOVFEKP-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027575997 716708430 /nfs/dbraw/zinc/70/84/30/716708430.db2.gz IBMSUEPVGJZORA-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027575997 716708433 /nfs/dbraw/zinc/70/84/33/716708433.db2.gz IBMSUEPVGJZORA-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086961 716709020 /nfs/dbraw/zinc/70/90/20/716709020.db2.gz JLSWERRILSNFGC-MVJPYGJCSA-N 1 3 343.515 2.702 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086961 716709025 /nfs/dbraw/zinc/70/90/25/716709025.db2.gz JLSWERRILSNFGC-MVJPYGJCSA-N 1 3 343.515 2.702 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027576191 716710567 /nfs/dbraw/zinc/71/05/67/716710567.db2.gz LVCFWZMDJYXHOL-IEBWSBKVSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027576191 716710569 /nfs/dbraw/zinc/71/05/69/716710569.db2.gz LVCFWZMDJYXHOL-IEBWSBKVSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001027576697 716715711 /nfs/dbraw/zinc/71/57/11/716715711.db2.gz UWBCRIVWMKCGSI-RDJZCZTQSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001027576697 716715716 /nfs/dbraw/zinc/71/57/16/716715716.db2.gz UWBCRIVWMKCGSI-RDJZCZTQSA-N 1 3 335.517 2.655 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610280 716719551 /nfs/dbraw/zinc/71/95/51/716719551.db2.gz LYGBHCGKUNULTF-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610280 716719553 /nfs/dbraw/zinc/71/95/53/716719553.db2.gz LYGBHCGKUNULTF-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCc3cccs3)C2)CC1 ZINC000972611717 716722244 /nfs/dbraw/zinc/72/22/44/716722244.db2.gz FELCLRWDVIPNPI-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCc3cccs3)C2)CC1 ZINC000972611717 716722245 /nfs/dbraw/zinc/72/22/45/716722245.db2.gz FELCLRWDVIPNPI-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577705 716725081 /nfs/dbraw/zinc/72/50/81/716725081.db2.gz RHWSJPWJIUJMIJ-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577705 716725087 /nfs/dbraw/zinc/72/50/87/716725087.db2.gz RHWSJPWJIUJMIJ-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577707 716725392 /nfs/dbraw/zinc/72/53/92/716725392.db2.gz RHWSJPWJIUJMIJ-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577707 716725396 /nfs/dbraw/zinc/72/53/96/716725396.db2.gz RHWSJPWJIUJMIJ-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577809 716727343 /nfs/dbraw/zinc/72/73/43/716727343.db2.gz UNAJEOCQXPQBSI-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577809 716727344 /nfs/dbraw/zinc/72/73/44/716727344.db2.gz UNAJEOCQXPQBSI-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027578459 716732685 /nfs/dbraw/zinc/73/26/85/716732685.db2.gz KVWZVAUSWJKSSJ-IRXDYDNUSA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027578459 716732689 /nfs/dbraw/zinc/73/26/89/716732689.db2.gz KVWZVAUSWJKSSJ-IRXDYDNUSA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027578523 716733222 /nfs/dbraw/zinc/73/32/22/716733222.db2.gz MLHSIAANDUGMHE-MJGOQNOKSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027578523 716733226 /nfs/dbraw/zinc/73/32/26/716733226.db2.gz MLHSIAANDUGMHE-MJGOQNOKSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027578531 716733271 /nfs/dbraw/zinc/73/32/71/716733271.db2.gz MOSPEGZVQPVHIX-MJGOQNOKSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027578531 716733277 /nfs/dbraw/zinc/73/32/77/716733277.db2.gz MOSPEGZVQPVHIX-MJGOQNOKSA-N 1 3 349.494 2.897 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978151107 716854656 /nfs/dbraw/zinc/85/46/56/716854656.db2.gz UFKRAPPLPBGVIO-AKHDSKFASA-N 1 3 335.536 2.589 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC000978151107 716854659 /nfs/dbraw/zinc/85/46/59/716854659.db2.gz UFKRAPPLPBGVIO-AKHDSKFASA-N 1 3 335.536 2.589 20 0 EFADHO C[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594644 716878819 /nfs/dbraw/zinc/87/88/19/716878819.db2.gz LAYICUFGNHFTKV-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594644 716878824 /nfs/dbraw/zinc/87/88/24/716878824.db2.gz LAYICUFGNHFTKV-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC000978225569 716914136 /nfs/dbraw/zinc/91/41/36/716914136.db2.gz BJYHVHXQDPTGSQ-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC000978225569 716914138 /nfs/dbraw/zinc/91/41/38/716914138.db2.gz BJYHVHXQDPTGSQ-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](CCCF)C2)c1 ZINC001023761964 716977212 /nfs/dbraw/zinc/97/72/12/716977212.db2.gz NVTBGAACHLJBKS-QGZVFWFLSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CCCF)C2)c1 ZINC001023761964 716977216 /nfs/dbraw/zinc/97/72/16/716977216.db2.gz NVTBGAACHLJBKS-QGZVFWFLSA-N 1 3 335.467 2.550 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001023763731 716977737 /nfs/dbraw/zinc/97/77/37/716977737.db2.gz ZWBIWIQGBNCHOL-CABCVRRESA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001023763731 716977740 /nfs/dbraw/zinc/97/77/40/716977740.db2.gz ZWBIWIQGBNCHOL-CABCVRRESA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001023763732 716978112 /nfs/dbraw/zinc/97/81/12/716978112.db2.gz ZWBIWIQGBNCHOL-GJZGRUSLSA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001023763732 716978117 /nfs/dbraw/zinc/97/81/17/716978117.db2.gz ZWBIWIQGBNCHOL-GJZGRUSLSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397279 717207469 /nfs/dbraw/zinc/20/74/69/717207469.db2.gz OQEFWGNUSXBMDM-WMZOPIPTSA-N 1 3 349.906 2.633 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397279 717207475 /nfs/dbraw/zinc/20/74/75/717207475.db2.gz OQEFWGNUSXBMDM-WMZOPIPTSA-N 1 3 349.906 2.633 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccsc3)C2)CCC1 ZINC001024016433 717208241 /nfs/dbraw/zinc/20/82/41/717208241.db2.gz FRNNCYXWPIGWBI-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001024016522 717212370 /nfs/dbraw/zinc/21/23/70/717212370.db2.gz HPNBWPXGIAQRRN-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001024018070 717219293 /nfs/dbraw/zinc/21/92/93/717219293.db2.gz KALSIDZWBCEWPD-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406065 717219912 /nfs/dbraw/zinc/21/99/12/717219912.db2.gz AAPWMPNFWFVKTC-SFHVURJKSA-N 1 3 349.906 2.777 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406065 717219916 /nfs/dbraw/zinc/21/99/16/717219916.db2.gz AAPWMPNFWFVKTC-SFHVURJKSA-N 1 3 349.906 2.777 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001024018508 717220046 /nfs/dbraw/zinc/22/00/46/717220046.db2.gz OXPQDANSLILCMU-MJGOQNOKSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406701 717220441 /nfs/dbraw/zinc/22/04/41/717220441.db2.gz RCBLEANKWPYQOS-RTBURBONSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406701 717220443 /nfs/dbraw/zinc/22/04/43/717220443.db2.gz RCBLEANKWPYQOS-RTBURBONSA-N 1 3 343.515 2.993 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001024018736 717221209 /nfs/dbraw/zinc/22/12/09/717221209.db2.gz RZXMGKCAEIODCA-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408426 717223078 /nfs/dbraw/zinc/22/30/78/717223078.db2.gz JNMPIMHAYPAUAN-YJBOKZPZSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408426 717223082 /nfs/dbraw/zinc/22/30/82/717223082.db2.gz JNMPIMHAYPAUAN-YJBOKZPZSA-N 1 3 333.451 2.515 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001024026120 717236669 /nfs/dbraw/zinc/23/66/69/717236669.db2.gz ADGUJLPUCDJIBZ-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001024037983 717248592 /nfs/dbraw/zinc/24/85/92/717248592.db2.gz DJNFUTGVBVTIMH-VQTJNVASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024039144 717249466 /nfs/dbraw/zinc/24/94/66/717249466.db2.gz PXASXOZZILGLBA-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000980476763 717317759 /nfs/dbraw/zinc/31/77/59/717317759.db2.gz XBDVEYLLEXLDLG-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000980476763 717317766 /nfs/dbraw/zinc/31/77/66/717317766.db2.gz XBDVEYLLEXLDLG-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980478694 717321912 /nfs/dbraw/zinc/32/19/12/717321912.db2.gz OULTXKSCCCCYFE-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483681 717324028 /nfs/dbraw/zinc/32/40/28/717324028.db2.gz RNXMLTHDLILLCA-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483681 717324032 /nfs/dbraw/zinc/32/40/32/717324032.db2.gz RNXMLTHDLILLCA-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC000980485228 717327393 /nfs/dbraw/zinc/32/73/93/717327393.db2.gz HRFPTZOSZYIWSE-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC000980485228 717327400 /nfs/dbraw/zinc/32/74/00/717327400.db2.gz HRFPTZOSZYIWSE-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485405 717328111 /nfs/dbraw/zinc/32/81/11/717328111.db2.gz JJBDUQJSLZYTRR-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485405 717328116 /nfs/dbraw/zinc/32/81/16/717328116.db2.gz JJBDUQJSLZYTRR-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000980486934 717330647 /nfs/dbraw/zinc/33/06/47/717330647.db2.gz YCCUFLRCGPDMCS-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000980486934 717330649 /nfs/dbraw/zinc/33/06/49/717330649.db2.gz YCCUFLRCGPDMCS-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000980482677 717339886 /nfs/dbraw/zinc/33/98/86/717339886.db2.gz BFQPULALHRVJCG-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000980482677 717339889 /nfs/dbraw/zinc/33/98/89/717339889.db2.gz BFQPULALHRVJCG-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001024139014 717395985 /nfs/dbraw/zinc/39/59/85/717395985.db2.gz ADGUJLPUCDJIBZ-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001024139336 717397883 /nfs/dbraw/zinc/39/78/83/717397883.db2.gz GQLIXUDQHJKSIY-SJLPKXTDSA-N 1 3 337.552 2.837 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001024155904 717449909 /nfs/dbraw/zinc/44/99/09/717449909.db2.gz CYHPHCSXQDWMLL-NVXWUHKLSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001024156123 717450657 /nfs/dbraw/zinc/45/06/57/717450657.db2.gz IPHYMDGDQWLASB-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001024156792 717451503 /nfs/dbraw/zinc/45/15/03/717451503.db2.gz UIYKXIGISKLKHY-DLBZAZTESA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001024160981 717456275 /nfs/dbraw/zinc/45/62/75/717456275.db2.gz DJNFUTGVBVTIMH-UXHICEINSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176381 717474577 /nfs/dbraw/zinc/47/45/77/717474577.db2.gz AQBFPIISCLPUES-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000980604438 717474826 /nfs/dbraw/zinc/47/48/26/717474826.db2.gz MIHMDDJKOXYYJY-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024177550 717475654 /nfs/dbraw/zinc/47/56/54/717475654.db2.gz RHYIHSXSMCWBHQ-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001024178533 717477388 /nfs/dbraw/zinc/47/73/88/717477388.db2.gz AHVJALKMSLNNQD-JKSUJKDBSA-N 1 3 326.444 2.542 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000980605636 717477438 /nfs/dbraw/zinc/47/74/38/717477438.db2.gz URIZDDBZSNIYMI-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3ccsc3)C2)CC1 ZINC001024211568 717496392 /nfs/dbraw/zinc/49/63/92/717496392.db2.gz DAKBTLXSPCSLTH-QGZVFWFLSA-N 1 3 349.544 2.808 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000985475370 724451163 /nfs/dbraw/zinc/45/11/63/724451163.db2.gz UTHUMJDEAISFKX-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000985475370 724451164 /nfs/dbraw/zinc/45/11/64/724451164.db2.gz UTHUMJDEAISFKX-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980704386 717609729 /nfs/dbraw/zinc/60/97/29/717609729.db2.gz NSLAGPPNATWORM-DLBZAZTESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980738468 717657847 /nfs/dbraw/zinc/65/78/47/717657847.db2.gz FFDJYABAIYSHTN-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027878705 717742216 /nfs/dbraw/zinc/74/22/16/717742216.db2.gz HFXSKMUMGDWHKI-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(C)C ZINC001027878705 717742223 /nfs/dbraw/zinc/74/22/23/717742223.db2.gz HFXSKMUMGDWHKI-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027878591 717750824 /nfs/dbraw/zinc/75/08/24/717750824.db2.gz DTYSJISPQNNPKE-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027878591 717750827 /nfs/dbraw/zinc/75/08/27/717750827.db2.gz DTYSJISPQNNPKE-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800867 717764374 /nfs/dbraw/zinc/76/43/74/717764374.db2.gz RREIAWGUBHMBEN-ZWKOTPCHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800861 717764898 /nfs/dbraw/zinc/76/48/98/717764898.db2.gz RREIAWGUBHMBEN-QZTJIDSGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980802572 717768809 /nfs/dbraw/zinc/76/88/09/717768809.db2.gz ZUVFKCDWZSBIKN-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980802571 717769115 /nfs/dbraw/zinc/76/91/15/717769115.db2.gz ZUVFKCDWZSBIKN-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476903 717789201 /nfs/dbraw/zinc/78/92/01/717789201.db2.gz GXLFHRVURMNGKB-MOPGFXCFSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024476903 717789202 /nfs/dbraw/zinc/78/92/02/717789202.db2.gz GXLFHRVURMNGKB-MOPGFXCFSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001029904117 724474847 /nfs/dbraw/zinc/47/48/47/724474847.db2.gz NJFLCPQMIXDGAF-KRWDZBQOSA-N 1 3 349.544 2.741 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001029904117 724474849 /nfs/dbraw/zinc/47/48/49/724474849.db2.gz NJFLCPQMIXDGAF-KRWDZBQOSA-N 1 3 349.544 2.741 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756582 724472066 /nfs/dbraw/zinc/47/20/66/724472066.db2.gz XWMPSPAAYXSHFO-QAPCUYQASA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756582 724472069 /nfs/dbraw/zinc/47/20/69/724472069.db2.gz XWMPSPAAYXSHFO-QAPCUYQASA-N 1 3 335.536 2.543 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001029755236 724474981 /nfs/dbraw/zinc/47/49/81/724474981.db2.gz KEQLFGWSXAHOCU-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001029755236 724474985 /nfs/dbraw/zinc/47/49/85/724474985.db2.gz KEQLFGWSXAHOCU-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903613 724473131 /nfs/dbraw/zinc/47/31/31/724473131.db2.gz BOVIBSPVYWXNQG-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903613 724473134 /nfs/dbraw/zinc/47/31/34/724473134.db2.gz BOVIBSPVYWXNQG-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001029755126 724474449 /nfs/dbraw/zinc/47/44/49/724474449.db2.gz IZPHPMNSFRNFNT-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001029755126 724474450 /nfs/dbraw/zinc/47/44/50/724474450.db2.gz IZPHPMNSFRNFNT-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001029904236 724474731 /nfs/dbraw/zinc/47/47/31/724474731.db2.gz QNSRSKMZZRRTAP-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001029904236 724474733 /nfs/dbraw/zinc/47/47/33/724474733.db2.gz QNSRSKMZZRRTAP-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904458 724475294 /nfs/dbraw/zinc/47/52/94/724475294.db2.gz WRTOPJFHCRFJQA-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904458 724475297 /nfs/dbraw/zinc/47/52/97/724475297.db2.gz WRTOPJFHCRFJQA-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001029756038 724476221 /nfs/dbraw/zinc/47/62/21/724476221.db2.gz XFXXJLVDBPHFJH-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001029756038 724476224 /nfs/dbraw/zinc/47/62/24/724476224.db2.gz XFXXJLVDBPHFJH-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001029904652 724476280 /nfs/dbraw/zinc/47/62/80/724476280.db2.gz ZYSFJKHCWPJWIA-HXUWFJFHSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001029904652 724476283 /nfs/dbraw/zinc/47/62/83/724476283.db2.gz ZYSFJKHCWPJWIA-HXUWFJFHSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904279 724477574 /nfs/dbraw/zinc/47/75/74/724477574.db2.gz RVCOHRAPBFKBRL-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904279 724477576 /nfs/dbraw/zinc/47/75/76/724477576.db2.gz RVCOHRAPBFKBRL-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027917466 718083091 /nfs/dbraw/zinc/08/30/91/718083091.db2.gz BFOBKHJNJHIRLG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027917466 718083093 /nfs/dbraw/zinc/08/30/93/718083093.db2.gz BFOBKHJNJHIRLG-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027917464 718083223 /nfs/dbraw/zinc/08/32/23/718083223.db2.gz BFOBKHJNJHIRLG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027917464 718083228 /nfs/dbraw/zinc/08/32/28/718083228.db2.gz BFOBKHJNJHIRLG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027917860 718092044 /nfs/dbraw/zinc/09/20/44/718092044.db2.gz GTQMFQOSNQVFDP-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027917860 718092047 /nfs/dbraw/zinc/09/20/47/718092047.db2.gz GTQMFQOSNQVFDP-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027917928 718092083 /nfs/dbraw/zinc/09/20/83/718092083.db2.gz HSKZXRSUFYFJDS-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027917928 718092086 /nfs/dbraw/zinc/09/20/86/718092086.db2.gz HSKZXRSUFYFJDS-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027919057 718097322 /nfs/dbraw/zinc/09/73/22/718097322.db2.gz SRELXUQNGDZIEA-AEFFLSMTSA-N 1 3 349.544 2.746 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cccs1 ZINC001027919057 718097327 /nfs/dbraw/zinc/09/73/27/718097327.db2.gz SRELXUQNGDZIEA-AEFFLSMTSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001027924710 718126249 /nfs/dbraw/zinc/12/62/49/718126249.db2.gz MBSJCHSICKLFRJ-VQTJNVASSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001027924710 718126251 /nfs/dbraw/zinc/12/62/51/718126251.db2.gz MBSJCHSICKLFRJ-VQTJNVASSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cc(C)ccc2F)CC1)N(C)C ZINC000985495851 724485902 /nfs/dbraw/zinc/48/59/02/724485902.db2.gz KZTNZTHWZUMGBW-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cc(C)ccc2F)CC1)N(C)C ZINC000985495851 724485903 /nfs/dbraw/zinc/48/59/03/724485903.db2.gz KZTNZTHWZUMGBW-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001029766388 724483759 /nfs/dbraw/zinc/48/37/59/724483759.db2.gz AILCRMZVIZSKIZ-YLJYHZDGSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001029766388 724483763 /nfs/dbraw/zinc/48/37/63/724483763.db2.gz AILCRMZVIZSKIZ-YLJYHZDGSA-N 1 3 345.531 2.870 20 0 EFADHO Cc1ccccc1CN1CCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001024760092 718141220 /nfs/dbraw/zinc/14/12/20/718141220.db2.gz QTTVGLFKBQVHKT-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000981143192 718151917 /nfs/dbraw/zinc/15/19/17/718151917.db2.gz FMNDADNTIAXJGO-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981143192 718151920 /nfs/dbraw/zinc/15/19/20/718151920.db2.gz FMNDADNTIAXJGO-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981143786 718152359 /nfs/dbraw/zinc/15/23/59/718152359.db2.gz UYBYDNMZAYBTDS-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981143786 718152363 /nfs/dbraw/zinc/15/23/63/718152363.db2.gz UYBYDNMZAYBTDS-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981143314 718152592 /nfs/dbraw/zinc/15/25/92/718152592.db2.gz JQLFLUYUGRSILL-SFHVURJKSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981143314 718152594 /nfs/dbraw/zinc/15/25/94/718152594.db2.gz JQLFLUYUGRSILL-SFHVURJKSA-N 1 3 349.544 2.698 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(CCCF)CC1 ZINC000981169071 718163154 /nfs/dbraw/zinc/16/31/54/718163154.db2.gz NBHUMUXCFFYBBX-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(CCCF)CC1 ZINC000981169071 718163157 /nfs/dbraw/zinc/16/31/57/718163157.db2.gz NBHUMUXCFFYBBX-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800988 718168415 /nfs/dbraw/zinc/16/84/15/718168415.db2.gz KIZJMHMZJFPPDH-OALUTQOASA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800988 718168416 /nfs/dbraw/zinc/16/84/16/718168416.db2.gz KIZJMHMZJFPPDH-OALUTQOASA-N 1 3 347.478 2.579 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001024802053 718169294 /nfs/dbraw/zinc/16/92/94/718169294.db2.gz RTMSAOFPSZNNEL-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001024802053 718169297 /nfs/dbraw/zinc/16/92/97/718169297.db2.gz RTMSAOFPSZNNEL-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001024801953 718169358 /nfs/dbraw/zinc/16/93/58/718169358.db2.gz QLCUPZYIRANDSJ-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001024801953 718169361 /nfs/dbraw/zinc/16/93/61/718169361.db2.gz QLCUPZYIRANDSJ-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCCF)c1 ZINC001024811290 718175179 /nfs/dbraw/zinc/17/51/79/718175179.db2.gz PCDORODRYLXVOA-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CCCF)c1 ZINC001024811290 718175180 /nfs/dbraw/zinc/17/51/80/718175180.db2.gz PCDORODRYLXVOA-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892530445 718218249 /nfs/dbraw/zinc/21/82/49/718218249.db2.gz OFXFTLFBAQGVGO-MOPGFXCFSA-N 1 3 346.519 2.584 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001024986632 718250071 /nfs/dbraw/zinc/25/00/71/718250071.db2.gz YQVSNGIWXRIODO-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001024986662 718250228 /nfs/dbraw/zinc/25/02/28/718250228.db2.gz ZIHUSUMTIWSUDA-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO COc1ccc2nccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000892601607 718327057 /nfs/dbraw/zinc/32/70/57/718327057.db2.gz YLBJTHHVMLKDBC-OAHLLOKOSA-N 1 3 341.455 2.578 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001025073674 718342011 /nfs/dbraw/zinc/34/20/11/718342011.db2.gz PEDPDZDXOSMWRI-RTBURBONSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025084778 718350301 /nfs/dbraw/zinc/35/03/01/718350301.db2.gz HKFIWHWKGBOMPK-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001025085622 718350588 /nfs/dbraw/zinc/35/05/88/718350588.db2.gz VENSUTDPVRLNIZ-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001025086017 718350952 /nfs/dbraw/zinc/35/09/52/718350952.db2.gz ZTRSXJJSTFUYNH-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001025085112 718351032 /nfs/dbraw/zinc/35/10/32/718351032.db2.gz LWHMXJAEXYXGBP-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC001025088155 718352742 /nfs/dbraw/zinc/35/27/42/718352742.db2.gz RSRNSSPZUDWKLR-SJORKVTESA-N 1 3 337.533 2.867 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001025098151 718357903 /nfs/dbraw/zinc/35/79/03/718357903.db2.gz KUXQTTSJMAFAOT-LJQANCHMSA-N 1 3 340.471 2.686 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001025098281 718357923 /nfs/dbraw/zinc/35/79/23/718357923.db2.gz MFGXUMXZSQCQIQ-VQIMIIECSA-N 1 3 340.471 2.993 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1)N(C)C ZINC000985496851 724502125 /nfs/dbraw/zinc/50/21/25/724502125.db2.gz QYMPRFLCBZLBBY-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1)N(C)C ZINC000985496851 724502128 /nfs/dbraw/zinc/50/21/28/724502128.db2.gz QYMPRFLCBZLBBY-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3cccc(C)c3)CC2)CC[N@@H+]1C ZINC000981198179 718492730 /nfs/dbraw/zinc/49/27/30/718492730.db2.gz ZIYNRKKBYPSLHN-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3cccc(C)c3)CC2)CC[N@H+]1C ZINC000981198179 718492732 /nfs/dbraw/zinc/49/27/32/718492732.db2.gz ZIYNRKKBYPSLHN-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981282907 718596951 /nfs/dbraw/zinc/59/69/51/718596951.db2.gz KDBUCOXZVQQCGL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981282907 718596954 /nfs/dbraw/zinc/59/69/54/718596954.db2.gz KDBUCOXZVQQCGL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332766 718634609 /nfs/dbraw/zinc/63/46/09/718634609.db2.gz FODHJQHIGKCYQB-FXAWDEMLSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332766 718634610 /nfs/dbraw/zinc/63/46/10/718634610.db2.gz FODHJQHIGKCYQB-FXAWDEMLSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166623229 718639335 /nfs/dbraw/zinc/63/93/35/718639335.db2.gz QMFNZISNHHGIHX-XHSDSOJGSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000166623229 718639337 /nfs/dbraw/zinc/63/93/37/718639337.db2.gz QMFNZISNHHGIHX-XHSDSOJGSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(NC[C@H]1CCCN1CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094317 718726060 /nfs/dbraw/zinc/72/60/60/718726060.db2.gz XHMZUCTXGAWUED-MSOLQXFVSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@H]1CCCN1CCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094317 718726065 /nfs/dbraw/zinc/72/60/65/718726065.db2.gz XHMZUCTXGAWUED-MSOLQXFVSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@H]1CCCN1CCCF)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094318 718726284 /nfs/dbraw/zinc/72/62/84/718726284.db2.gz XHMZUCTXGAWUED-QZTJIDSGSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@H]1CCCN1CCCF)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094318 718726286 /nfs/dbraw/zinc/72/62/86/718726286.db2.gz XHMZUCTXGAWUED-QZTJIDSGSA-N 1 3 339.499 2.724 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC000981536312 718795704 /nfs/dbraw/zinc/79/57/04/718795704.db2.gz AVFFNAXKSGWMKM-MOPGFXCFSA-N 1 3 329.488 2.789 20 0 EFADHO CC(C)CCN1CCC([NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000924596249 718875886 /nfs/dbraw/zinc/87/58/86/718875886.db2.gz PDSDBWOUHRBAJK-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001029921321 724549714 /nfs/dbraw/zinc/54/97/14/724549714.db2.gz WYOUQTOYZBGKGS-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CCC(CC)C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981683389 718949943 /nfs/dbraw/zinc/94/99/43/718949943.db2.gz WJMFAPLXYXNVDJ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981683389 718949946 /nfs/dbraw/zinc/94/99/46/718949946.db2.gz WJMFAPLXYXNVDJ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001028115195 718954871 /nfs/dbraw/zinc/95/48/71/718954871.db2.gz ZLURJNDBZWXGQI-SFHVURJKSA-N 1 3 349.544 2.787 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001028118062 718970382 /nfs/dbraw/zinc/97/03/82/718970382.db2.gz WAJDTLLKWUOZBQ-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2)C1CC1 ZINC000981813039 719072361 /nfs/dbraw/zinc/07/23/61/719072361.db2.gz DWCVGLVEVFHYCP-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2)C1CC1 ZINC000981813039 719072367 /nfs/dbraw/zinc/07/23/67/719072367.db2.gz DWCVGLVEVFHYCP-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000981825697 719087575 /nfs/dbraw/zinc/08/75/75/719087575.db2.gz XZZNWBHUTNFKGN-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000981825697 719087580 /nfs/dbraw/zinc/08/75/80/719087580.db2.gz XZZNWBHUTNFKGN-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCN([C@H]3CCc4ccccc43)CC2)CC1 ZINC000981872406 719148161 /nfs/dbraw/zinc/14/81/61/719148161.db2.gz KPBZFGZKJGYYSA-FQEVSTJZSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001019468046 719161823 /nfs/dbraw/zinc/16/18/23/719161823.db2.gz FCRQHHODBYGXLP-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1ccc(CCN2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000981898448 719178257 /nfs/dbraw/zinc/17/82/57/719178257.db2.gz LSCAVWGTDDYLEP-HXUWFJFHSA-N 1 3 345.531 2.658 20 0 EFADHO CCn1cc(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)nn1 ZINC000892904848 719270274 /nfs/dbraw/zinc/27/02/74/719270274.db2.gz DZNZBBDYPOWGCD-UHFFFAOYSA-N 1 3 347.894 2.953 20 0 EFADHO CCn1cc(CNCC2CC[NH+](Cc3ccccc3Cl)CC2)nn1 ZINC000892904848 719270276 /nfs/dbraw/zinc/27/02/76/719270276.db2.gz DZNZBBDYPOWGCD-UHFFFAOYSA-N 1 3 347.894 2.953 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc2c(c1)CCC2 ZINC001019774923 719382857 /nfs/dbraw/zinc/38/28/57/719382857.db2.gz NOFOKTSRGWHKNT-JXFKEZNVSA-N 1 3 341.499 2.523 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774774 719383106 /nfs/dbraw/zinc/38/31/06/719383106.db2.gz HXPCFOQFXOKJFV-MSOLQXFVSA-N 1 3 329.488 2.651 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001019775920 719383235 /nfs/dbraw/zinc/38/32/35/719383235.db2.gz MQTDCJWEYKANAO-YOEHRIQHSA-N 1 3 335.879 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001019823205 719392071 /nfs/dbraw/zinc/39/20/71/719392071.db2.gz CHCXLILAAXFGPH-ROUUACIJSA-N 1 3 349.544 2.930 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC001019823784 719392380 /nfs/dbraw/zinc/39/23/80/719392380.db2.gz SFDQOUVCJMLRKL-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CCCC2)C3)C1 ZINC000982008432 719430084 /nfs/dbraw/zinc/43/00/84/719430084.db2.gz BESROBFVWXVHRD-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CCCC2)C3)C1 ZINC000982008432 719430087 /nfs/dbraw/zinc/43/00/87/719430087.db2.gz BESROBFVWXVHRD-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1C)C2)N(C)C ZINC000982018855 719446709 /nfs/dbraw/zinc/44/67/09/719446709.db2.gz LENUCYJVQLCUJI-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1C)C2)N(C)C ZINC000982018855 719446713 /nfs/dbraw/zinc/44/67/13/719446713.db2.gz LENUCYJVQLCUJI-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2)N(C)C ZINC000982018600 719448863 /nfs/dbraw/zinc/44/88/63/719448863.db2.gz GDFZYNQCQKFRQD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2)N(C)C ZINC000982018600 719448866 /nfs/dbraw/zinc/44/88/66/719448866.db2.gz GDFZYNQCQKFRQD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2)N(C)C ZINC000982018677 719449043 /nfs/dbraw/zinc/44/90/43/719449043.db2.gz INVOWILCHACWJL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2)N(C)C ZINC000982018677 719449046 /nfs/dbraw/zinc/44/90/46/719449046.db2.gz INVOWILCHACWJL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052147 719505835 /nfs/dbraw/zinc/50/58/35/719505835.db2.gz AAGOBTSSRPTEEW-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052147 719505837 /nfs/dbraw/zinc/50/58/37/719505837.db2.gz AAGOBTSSRPTEEW-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982052630 719506933 /nfs/dbraw/zinc/50/69/33/719506933.db2.gz SKKZUKLLJJHMHR-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982052630 719506935 /nfs/dbraw/zinc/50/69/35/719506935.db2.gz SKKZUKLLJJHMHR-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343231 719589381 /nfs/dbraw/zinc/58/93/81/719589381.db2.gz YIRFYCJPXBQPOB-OALUTQOASA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343231 719589383 /nfs/dbraw/zinc/58/93/83/719589383.db2.gz YIRFYCJPXBQPOB-OALUTQOASA-N 1 3 347.547 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982163537 719607838 /nfs/dbraw/zinc/60/78/38/719607838.db2.gz FGXQWRPKEJOYST-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982163537 719607841 /nfs/dbraw/zinc/60/78/41/719607841.db2.gz FGXQWRPKEJOYST-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982163723 719608595 /nfs/dbraw/zinc/60/85/95/719608595.db2.gz QBPXIIBIRNLHLL-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982163723 719608598 /nfs/dbraw/zinc/60/85/98/719608598.db2.gz QBPXIIBIRNLHLL-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC000982163601 719608642 /nfs/dbraw/zinc/60/86/42/719608642.db2.gz IZXZGEQHEKICHZ-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC000982163601 719608644 /nfs/dbraw/zinc/60/86/44/719608644.db2.gz IZXZGEQHEKICHZ-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)CN4CCCC4)C3)C2)cs1 ZINC000982152295 719612679 /nfs/dbraw/zinc/61/26/79/719612679.db2.gz PFQPSJLFUVXSCL-UHFFFAOYSA-N 1 3 347.528 2.577 20 0 EFADHO Cc1cc(C[N@H+]2CCCC3(CN(C(=O)CN4CCCC4)C3)C2)cs1 ZINC000982152295 719612684 /nfs/dbraw/zinc/61/26/84/719612684.db2.gz PFQPSJLFUVXSCL-UHFFFAOYSA-N 1 3 347.528 2.577 20 0 EFADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160660 719619534 /nfs/dbraw/zinc/61/95/34/719619534.db2.gz ANMULLZIAGTREZ-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160660 719619538 /nfs/dbraw/zinc/61/95/38/719619538.db2.gz ANMULLZIAGTREZ-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CCC[N@H+](CCCF)C2 ZINC000982161514 719620506 /nfs/dbraw/zinc/62/05/06/719620506.db2.gz UARFAZOQHINBHJ-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CCC[N@@H+](CCCF)C2 ZINC000982161514 719620507 /nfs/dbraw/zinc/62/05/07/719620507.db2.gz UARFAZOQHINBHJ-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)c1 ZINC001026043339 719672764 /nfs/dbraw/zinc/67/27/64/719672764.db2.gz LEBQOWBMEKMXLK-UDKQVLDHSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@@H]2C)c1 ZINC001026043339 719672766 /nfs/dbraw/zinc/67/27/66/719672766.db2.gz LEBQOWBMEKMXLK-UDKQVLDHSA-N 1 3 341.499 2.587 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221074 719680268 /nfs/dbraw/zinc/68/02/68/719680268.db2.gz KDNHUYURNULQIP-INIZCTEOSA-N 1 3 335.467 2.644 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)N1CCCCC1 ZINC000982280942 719790842 /nfs/dbraw/zinc/79/08/42/719790842.db2.gz KNWLBPFFKOOIPV-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)N1CCCCC1 ZINC000982280942 719790846 /nfs/dbraw/zinc/79/08/46/719790846.db2.gz KNWLBPFFKOOIPV-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296189 719839916 /nfs/dbraw/zinc/83/99/16/719839916.db2.gz MWBVIPMDLCUNTK-KDURUIRLSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296189 719839923 /nfs/dbraw/zinc/83/99/23/719839923.db2.gz MWBVIPMDLCUNTK-KDURUIRLSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982301832 719859669 /nfs/dbraw/zinc/85/96/69/719859669.db2.gz XZZSJCVHRLWDLM-SESVDKBCSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982301832 719859676 /nfs/dbraw/zinc/85/96/76/719859676.db2.gz XZZSJCVHRLWDLM-SESVDKBCSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982306543 719874407 /nfs/dbraw/zinc/87/44/07/719874407.db2.gz SZKVOVJQUBFYRC-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)N(C)C ZINC000982306543 719874412 /nfs/dbraw/zinc/87/44/12/719874412.db2.gz SZKVOVJQUBFYRC-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCn1cc(Br)cn1 ZINC000261665383 719949750 /nfs/dbraw/zinc/94/97/50/719949750.db2.gz ZNVOKJSPRWQUIH-GXTWGEPZSA-N 1 3 329.286 2.546 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428991 720048851 /nfs/dbraw/zinc/04/88/51/720048851.db2.gz NBEFQKSKNMRZFJ-BGYRXZFFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982428991 720048855 /nfs/dbraw/zinc/04/88/55/720048855.db2.gz NBEFQKSKNMRZFJ-BGYRXZFFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001026268045 720080197 /nfs/dbraw/zinc/08/01/97/720080197.db2.gz VCXXPXTZQAPSLK-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CC(C)(C)C4)[C@H]3C2)CCC1 ZINC001026281647 720120201 /nfs/dbraw/zinc/12/02/01/720120201.db2.gz GZRLFURJNHPEAG-BZSNNMDCSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CC(C)(C)C4)[C@@H]3C2)CCC1 ZINC001026281650 720120254 /nfs/dbraw/zinc/12/02/54/720120254.db2.gz GZRLFURJNHPEAG-RCCFBDPRSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355959 724649938 /nfs/dbraw/zinc/64/99/38/724649938.db2.gz NLRGMSJAXDJCPO-CRAIPNDOSA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]Cc4ccsc4)[C@H]3C2)CCC1 ZINC001026282697 720129822 /nfs/dbraw/zinc/12/98/22/720129822.db2.gz WMWCDXZCUVEXJE-YESZJQIVSA-N 1 3 347.528 2.559 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986357712 724650911 /nfs/dbraw/zinc/65/09/11/724650911.db2.gz URHWQGJXYLAWPW-OXJNMPFZSA-N 1 3 343.515 2.812 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1)C1CCC1 ZINC001026283316 720130916 /nfs/dbraw/zinc/13/09/16/720130916.db2.gz GFULOALCROWZEO-DFQSSKMNSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1)C1CCC1 ZINC001026283562 720133628 /nfs/dbraw/zinc/13/36/28/720133628.db2.gz KBMAJSVMZQHYHZ-IHPCNDPISA-N 1 3 347.547 2.878 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000236829250 720201824 /nfs/dbraw/zinc/20/18/24/720201824.db2.gz GWYUWLDPDDMVDJ-LMMKCTJWSA-N 1 3 347.503 2.712 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cs1 ZINC000986351606 724659691 /nfs/dbraw/zinc/65/96/91/724659691.db2.gz DHBFFSFMJNQXGO-YOEHRIQHSA-N 1 3 335.517 2.620 20 0 EFADHO CSc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000894083049 720263961 /nfs/dbraw/zinc/26/39/61/720263961.db2.gz AXTXEWZVGIMNHY-UHFFFAOYSA-N 1 3 337.533 2.992 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029830788 724667223 /nfs/dbraw/zinc/66/72/23/724667223.db2.gz IKZIZMQRYHYGPO-SJLPKXTDSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029830788 724667225 /nfs/dbraw/zinc/66/72/25/724667225.db2.gz IKZIZMQRYHYGPO-SJLPKXTDSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029831164 724669122 /nfs/dbraw/zinc/66/91/22/724669122.db2.gz RAMKGTBVOZAGAX-PKOBYXMFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029831164 724669125 /nfs/dbraw/zinc/66/91/25/724669125.db2.gz RAMKGTBVOZAGAX-PKOBYXMFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028316065 720345186 /nfs/dbraw/zinc/34/51/86/720345186.db2.gz JUDZPXITJZPGBB-WOJBJXKFSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028316065 720345190 /nfs/dbraw/zinc/34/51/90/720345190.db2.gz JUDZPXITJZPGBB-WOJBJXKFSA-N 1 3 343.515 2.842 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316427 720345692 /nfs/dbraw/zinc/34/56/92/720345692.db2.gz POAPINZXSBXSEB-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316427 720345697 /nfs/dbraw/zinc/34/56/97/720345697.db2.gz POAPINZXSBXSEB-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028317077 720346563 /nfs/dbraw/zinc/34/65/63/720346563.db2.gz WSMPHRGAFMADEG-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028317077 720346569 /nfs/dbraw/zinc/34/65/69/720346569.db2.gz WSMPHRGAFMADEG-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332650 720372554 /nfs/dbraw/zinc/37/25/54/720372554.db2.gz AXOXCIHZJVUMKP-LJQANCHMSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332650 720372559 /nfs/dbraw/zinc/37/25/59/720372559.db2.gz AXOXCIHZJVUMKP-LJQANCHMSA-N 1 3 329.488 2.909 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332905 720373734 /nfs/dbraw/zinc/37/37/34/720373734.db2.gz GJCJDYPHYYWJBT-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332905 720373737 /nfs/dbraw/zinc/37/37/37/720373737.db2.gz GJCJDYPHYYWJBT-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001028333973 720378563 /nfs/dbraw/zinc/37/85/63/720378563.db2.gz UGZOAKIMQFJHIN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CCC1CC1 ZINC001028333973 720378565 /nfs/dbraw/zinc/37/85/65/720378565.db2.gz UGZOAKIMQFJHIN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334373 720379890 /nfs/dbraw/zinc/37/98/90/720379890.db2.gz XOKIBVACYKORRS-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028334373 720379895 /nfs/dbraw/zinc/37/98/95/720379895.db2.gz XOKIBVACYKORRS-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CC4)[C@@H]3C2)c1 ZINC001026425860 720555962 /nfs/dbraw/zinc/55/59/62/720555962.db2.gz ICTGBBBWPDPWEY-XUVXKRRUSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CC4)[C@@H]3C2)c1 ZINC001026425861 720556032 /nfs/dbraw/zinc/55/60/32/720556032.db2.gz ICTGBBBWPDPWEY-ZCNNSNEGSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CC4)[C@H]3C2)c1 ZINC001026425859 720556084 /nfs/dbraw/zinc/55/60/84/720556084.db2.gz ICTGBBBWPDPWEY-UFYCRDLUSA-N 1 3 341.499 2.598 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001026428089 720560089 /nfs/dbraw/zinc/56/00/89/720560089.db2.gz ZUEAJTKPFWAGCN-GBESFXJTSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839694 724687968 /nfs/dbraw/zinc/68/79/68/724687968.db2.gz GUEVSGMNIWGVEB-HKUYNNGSSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839694 724687970 /nfs/dbraw/zinc/68/79/70/724687970.db2.gz GUEVSGMNIWGVEB-HKUYNNGSSA-N 1 3 333.520 2.609 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840485 724688398 /nfs/dbraw/zinc/68/83/98/724688398.db2.gz BKECJKKSLHCHCP-KRWDZBQOSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840485 724688401 /nfs/dbraw/zinc/68/84/01/724688401.db2.gz BKECJKKSLHCHCP-KRWDZBQOSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840487 724688590 /nfs/dbraw/zinc/68/85/90/724688590.db2.gz BKECJKKSLHCHCP-QGZVFWFLSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029840487 724688592 /nfs/dbraw/zinc/68/85/92/724688592.db2.gz BKECJKKSLHCHCP-QGZVFWFLSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840065 724689646 /nfs/dbraw/zinc/68/96/46/724689646.db2.gz PKBFPMOTRAKRPJ-SJORKVTESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840065 724689648 /nfs/dbraw/zinc/68/96/48/724689648.db2.gz PKBFPMOTRAKRPJ-SJORKVTESA-N 1 3 335.536 2.545 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001029841806 724693979 /nfs/dbraw/zinc/69/39/79/724693979.db2.gz MWZALOWYOCHMIO-OALUTQOASA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001029841806 724693980 /nfs/dbraw/zinc/69/39/80/724693980.db2.gz MWZALOWYOCHMIO-OALUTQOASA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001029841808 724694019 /nfs/dbraw/zinc/69/40/19/724694019.db2.gz MWZALOWYOCHMIO-RBUKOAKNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001029841808 724694020 /nfs/dbraw/zinc/69/40/20/724694020.db2.gz MWZALOWYOCHMIO-RBUKOAKNSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001029842933 724698028 /nfs/dbraw/zinc/69/80/28/724698028.db2.gz ZDYSNKDKGXPXFD-SJORKVTESA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1 ZINC001029842933 724698029 /nfs/dbraw/zinc/69/80/29/724698029.db2.gz ZDYSNKDKGXPXFD-SJORKVTESA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029843227 724702304 /nfs/dbraw/zinc/70/23/04/724702304.db2.gz GFEQMZIXKADXSP-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029843227 724702306 /nfs/dbraw/zinc/70/23/06/724702306.db2.gz GFEQMZIXKADXSP-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001026560722 720748014 /nfs/dbraw/zinc/74/80/14/720748014.db2.gz COSNWWLWKKVFKE-VNCLNFNDSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001026561136 720748701 /nfs/dbraw/zinc/74/87/01/720748701.db2.gz PJXOFTUYPMZFHR-IPJUCJBFSA-N 1 3 333.520 2.988 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC001026560910 720748830 /nfs/dbraw/zinc/74/88/30/720748830.db2.gz JHQDSXSCKNCPPC-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]CCc2ccccc2)CC1 ZINC001026560922 720748953 /nfs/dbraw/zinc/74/89/53/720748953.db2.gz JUEUTXQKMPAKBE-QHGAOEGBSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC001026561278 720749364 /nfs/dbraw/zinc/74/93/64/720749364.db2.gz UGVKCOCYGSEOCB-IVMQYODDSA-N 1 3 333.520 2.846 20 0 EFADHO CCC[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559190 720751692 /nfs/dbraw/zinc/75/16/92/720751692.db2.gz CMAQEGKSJNEIJD-JTTJXQCZSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CCC([NH2+]CC3CC3)CC2)C1 ZINC001026559940 720752588 /nfs/dbraw/zinc/75/25/88/720752588.db2.gz XAVGFSFHKNQYID-LADRWXRNSA-N 1 3 339.499 2.626 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029843665 724704305 /nfs/dbraw/zinc/70/43/05/724704305.db2.gz MJIXCSRZQIKCLH-UXHICEINSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029843665 724704308 /nfs/dbraw/zinc/70/43/08/724704308.db2.gz MJIXCSRZQIKCLH-UXHICEINSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029843650 724705316 /nfs/dbraw/zinc/70/53/16/724705316.db2.gz MDLIUQFUPDKKSW-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029843650 724705317 /nfs/dbraw/zinc/70/53/17/724705317.db2.gz MDLIUQFUPDKKSW-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001026598502 720797624 /nfs/dbraw/zinc/79/76/24/720797624.db2.gz KCKVVRFSTRXVKF-UHFFFAOYSA-N 1 3 332.492 2.714 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029844049 724707579 /nfs/dbraw/zinc/70/75/79/724707579.db2.gz VGRPFLSRVRTVGZ-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029844049 724707581 /nfs/dbraw/zinc/70/75/81/724707581.db2.gz VGRPFLSRVRTVGZ-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2NCc1cccc(OCC[NH+](C)C)c1 ZINC000162598506 720798611 /nfs/dbraw/zinc/79/86/11/720798611.db2.gz CWFPHTPEUYONIS-SFHVURJKSA-N 1 3 328.460 2.528 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552827 720820045 /nfs/dbraw/zinc/82/00/45/720820045.db2.gz DQZHPAILRVVDHD-YSIASYRMSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552827 720820053 /nfs/dbraw/zinc/82/00/53/720820053.db2.gz DQZHPAILRVVDHD-YSIASYRMSA-N 1 3 333.520 2.607 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)CN4CCC[C@H]4C)C[C@@]3(C)C2)C1 ZINC000982553729 720821035 /nfs/dbraw/zinc/82/10/35/720821035.db2.gz PMBKTKPFBGIKMU-WOTRFRBTSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)CN4CCC[C@H]4C)C[C@@]3(C)C2)C1 ZINC000982553729 720821039 /nfs/dbraw/zinc/82/10/39/720821039.db2.gz PMBKTKPFBGIKMU-WOTRFRBTSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccsc3)C[C@]2(C)C1)N(C)C ZINC000982559995 720834626 /nfs/dbraw/zinc/83/46/26/720834626.db2.gz CDJFLFFRIQDIJR-YTQUADARSA-N 1 3 349.544 2.759 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccsc3)C[C@]2(C)C1)N(C)C ZINC000982559995 720834638 /nfs/dbraw/zinc/83/46/38/720834638.db2.gz CDJFLFFRIQDIJR-YTQUADARSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028536398 720984756 /nfs/dbraw/zinc/98/47/56/720984756.db2.gz BJRFEOJEALURNX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028536398 720984757 /nfs/dbraw/zinc/98/47/57/720984757.db2.gz BJRFEOJEALURNX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028536397 720984945 /nfs/dbraw/zinc/98/49/45/720984945.db2.gz BJRFEOJEALURNX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028536397 720984948 /nfs/dbraw/zinc/98/49/48/720984948.db2.gz BJRFEOJEALURNX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028536399 720985172 /nfs/dbraw/zinc/98/51/72/720985172.db2.gz BJRFEOJEALURNX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028536399 720985175 /nfs/dbraw/zinc/98/51/75/720985175.db2.gz BJRFEOJEALURNX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028537117 720986385 /nfs/dbraw/zinc/98/63/85/720986385.db2.gz HJHPYOVZFXAQJH-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028537117 720986390 /nfs/dbraw/zinc/98/63/90/720986390.db2.gz HJHPYOVZFXAQJH-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028537812 720988000 /nfs/dbraw/zinc/98/80/00/720988000.db2.gz SPEOCVNFZDJUBO-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028537812 720988004 /nfs/dbraw/zinc/98/80/04/720988004.db2.gz SPEOCVNFZDJUBO-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001028548493 720990823 /nfs/dbraw/zinc/99/08/23/720990823.db2.gz BHZIMNMHQHSPLE-HLLBOEOZSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028548493 720990826 /nfs/dbraw/zinc/99/08/26/720990826.db2.gz BHZIMNMHQHSPLE-HLLBOEOZSA-N 1 3 349.906 2.618 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001026734482 721009541 /nfs/dbraw/zinc/00/95/41/721009541.db2.gz ODAYZFIKEFMNJX-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO CCCCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)c(C)n1 ZINC000925692953 721046353 /nfs/dbraw/zinc/04/63/53/721046353.db2.gz PPFWZAZFMFWUIE-YQQQUEKLSA-N 1 3 334.508 2.723 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580409 721110098 /nfs/dbraw/zinc/11/00/98/721110098.db2.gz VVSSUAIGOXJLIH-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580409 721110102 /nfs/dbraw/zinc/11/01/02/721110102.db2.gz VVSSUAIGOXJLIH-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000893375780 721130378 /nfs/dbraw/zinc/13/03/78/721130378.db2.gz QMDSSUJUBJJKDT-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000893375780 721130381 /nfs/dbraw/zinc/13/03/81/721130381.db2.gz QMDSSUJUBJJKDT-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000893375781 721130492 /nfs/dbraw/zinc/13/04/92/721130492.db2.gz QMDSSUJUBJJKDT-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000893375781 721130494 /nfs/dbraw/zinc/13/04/94/721130494.db2.gz QMDSSUJUBJJKDT-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[NH+]1CCC(CN[C@H](CO)c2ccccc2OC(F)(F)F)CC1 ZINC000894175244 721164571 /nfs/dbraw/zinc/16/45/71/721164571.db2.gz ZOEOPHVZSZGCAN-CQSZACIVSA-N 1 3 332.366 2.550 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974601071 721191379 /nfs/dbraw/zinc/19/13/79/721191379.db2.gz ROVUDWAODVNCMC-IPMKNSEASA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974601071 721191380 /nfs/dbraw/zinc/19/13/80/721191380.db2.gz ROVUDWAODVNCMC-IPMKNSEASA-N 1 3 343.515 2.744 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C/Cl)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594786 721247146 /nfs/dbraw/zinc/24/71/46/721247146.db2.gz LWXTVYKRMQUBNX-ZZLWLRBTSA-N 1 3 339.911 2.584 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C/Cl)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001028594786 721247150 /nfs/dbraw/zinc/24/71/50/721247150.db2.gz LWXTVYKRMQUBNX-ZZLWLRBTSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000985646715 724750995 /nfs/dbraw/zinc/75/09/95/724750995.db2.gz KENILGJRVBNLND-OAHLLOKOSA-N 1 3 335.517 2.655 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000985646715 724750997 /nfs/dbraw/zinc/75/09/97/724750997.db2.gz KENILGJRVBNLND-OAHLLOKOSA-N 1 3 335.517 2.655 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885689 721294344 /nfs/dbraw/zinc/29/43/44/721294344.db2.gz LMHDGXQBMVNKSO-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CCC4(CC4)CC3)C2)CCC1 ZINC001026885808 721294350 /nfs/dbraw/zinc/29/43/50/721294350.db2.gz MTILTNHSRXYBBZ-SFHVURJKSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885659 721294411 /nfs/dbraw/zinc/29/44/11/721294411.db2.gz KYWXQRJLWPEKSI-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885860 721295039 /nfs/dbraw/zinc/29/50/39/721295039.db2.gz NTPLCWXTGPRRMO-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001026889052 721297127 /nfs/dbraw/zinc/29/71/27/721297127.db2.gz RJJLCGRCUQTZTD-ICSRJNTNSA-N 1 3 343.515 2.527 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001026889927 721298905 /nfs/dbraw/zinc/29/89/05/721298905.db2.gz FOHTVEGIYPOFJC-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026890379 721299619 /nfs/dbraw/zinc/29/96/19/721299619.db2.gz JRJZAUNGVMCCJE-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO c1cnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c(CN2CCCC2)c1 ZINC001164774511 721302691 /nfs/dbraw/zinc/30/26/91/721302691.db2.gz DQYVKQGFEISEJC-UHFFFAOYSA-N 1 3 326.488 2.600 20 0 EFADHO c1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c(CN2CCCC2)c1 ZINC001164774511 721302694 /nfs/dbraw/zinc/30/26/94/721302694.db2.gz DQYVKQGFEISEJC-UHFFFAOYSA-N 1 3 326.488 2.600 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886342 721305330 /nfs/dbraw/zinc/30/53/30/721305330.db2.gz VUKHAYRZQKHRNU-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC001026887352 721306659 /nfs/dbraw/zinc/30/66/59/721306659.db2.gz PEOREGWUFUZIDO-CRAIPNDOSA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001026887520 721307127 /nfs/dbraw/zinc/30/71/27/721307127.db2.gz QLEQXLJLRLVSST-MAUKXSAKSA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC001026887354 721307295 /nfs/dbraw/zinc/30/72/95/721307295.db2.gz PEOREGWUFUZIDO-QAPCUYQASA-N 1 3 349.906 2.618 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC001026888640 721309339 /nfs/dbraw/zinc/30/93/39/721309339.db2.gz JRJXVJUSZPIRHG-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001026900909 721312260 /nfs/dbraw/zinc/31/22/60/721312260.db2.gz GKYOUYUDKVUFMF-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000985646844 724751682 /nfs/dbraw/zinc/75/16/82/724751682.db2.gz LWPONNHVRJHKJZ-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000985646844 724751686 /nfs/dbraw/zinc/75/16/86/724751686.db2.gz LWPONNHVRJHKJZ-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001026916839 721343366 /nfs/dbraw/zinc/34/33/66/721343366.db2.gz QDNROVPZLCQNOW-RBUKOAKNSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001026916808 721343471 /nfs/dbraw/zinc/34/34/71/721343471.db2.gz PCKOTFKMEXXZPX-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001026916807 721343746 /nfs/dbraw/zinc/34/37/46/721343746.db2.gz PCKOTFKMEXXZPX-GXTWGEPZSA-N 1 3 343.924 2.680 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001026916927 721344408 /nfs/dbraw/zinc/34/44/08/721344408.db2.gz SIOOOXQNFCHXRO-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001026916906 721344414 /nfs/dbraw/zinc/34/44/14/721344414.db2.gz RJUUDDFZYSQEQT-QFBILLFUSA-N 1 3 331.504 2.527 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893395209 721374888 /nfs/dbraw/zinc/37/48/88/721374888.db2.gz LSJPLGWRXJJSJO-RTBURBONSA-N 1 3 348.535 2.662 20 0 EFADHO CC1(C)CC(C[N@@H+]2C[C@H](NC(=O)C34CCCN3CCC4)C(C)(C)C2)C1 ZINC000974772541 721418869 /nfs/dbraw/zinc/41/88/69/721418869.db2.gz GVHNVEMELIAMNW-KRWDZBQOSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2C[C@H](NC(=O)C34CCCN3CCC4)C(C)(C)C2)C1 ZINC000974772541 721418870 /nfs/dbraw/zinc/41/88/70/721418870.db2.gz GVHNVEMELIAMNW-KRWDZBQOSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CC4(CCC4)C3)CC2)C1 ZINC000985654386 724763403 /nfs/dbraw/zinc/76/34/03/724763403.db2.gz OHQWOLJHVZFGNU-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CC4(CCC4)C3)CC2)C1 ZINC000985654386 724763406 /nfs/dbraw/zinc/76/34/06/724763406.db2.gz OHQWOLJHVZFGNU-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974861546 721483343 /nfs/dbraw/zinc/48/33/43/721483343.db2.gz HEHSPWXUSBMWDB-MSOLQXFVSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853867 724780425 /nfs/dbraw/zinc/78/04/25/724780425.db2.gz SBZXMJGACRIXGJ-DLBZAZTESA-N 1 3 340.471 2.802 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853867 724780427 /nfs/dbraw/zinc/78/04/27/724780427.db2.gz SBZXMJGACRIXGJ-DLBZAZTESA-N 1 3 340.471 2.802 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853051 724774857 /nfs/dbraw/zinc/77/48/57/724774857.db2.gz KMDGTJUCQFONFG-CABCVRRESA-N 1 3 344.434 2.633 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853051 724774861 /nfs/dbraw/zinc/77/48/61/724774861.db2.gz KMDGTJUCQFONFG-CABCVRRESA-N 1 3 344.434 2.633 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCCC1 ZINC001029853426 724776520 /nfs/dbraw/zinc/77/65/20/724776520.db2.gz OEPOPMQAAHJJHI-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCCCCC1 ZINC001029853426 724776523 /nfs/dbraw/zinc/77/65/23/724776523.db2.gz OEPOPMQAAHJJHI-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC001029971061 724778519 /nfs/dbraw/zinc/77/85/19/724778519.db2.gz HIOCLJHUMLZEPA-FQEVSTJZSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC001029971061 724778521 /nfs/dbraw/zinc/77/85/21/724778521.db2.gz HIOCLJHUMLZEPA-FQEVSTJZSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029854368 724784115 /nfs/dbraw/zinc/78/41/15/724784115.db2.gz XTBKIIFVNWJJCH-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029854368 724784117 /nfs/dbraw/zinc/78/41/17/724784117.db2.gz XTBKIIFVNWJJCH-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675398 724785635 /nfs/dbraw/zinc/78/56/35/724785635.db2.gz SLDVUOJPVCSDGZ-UHFFFAOYSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675398 724785636 /nfs/dbraw/zinc/78/56/36/724785636.db2.gz SLDVUOJPVCSDGZ-UHFFFAOYSA-N 1 3 344.503 2.845 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675079 724787225 /nfs/dbraw/zinc/78/72/25/724787225.db2.gz MGQMOTNPUXEWMU-AWEZNQCLSA-N 1 3 344.434 2.775 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675079 724787227 /nfs/dbraw/zinc/78/72/27/724787227.db2.gz MGQMOTNPUXEWMU-AWEZNQCLSA-N 1 3 344.434 2.775 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754746 721937167 /nfs/dbraw/zinc/93/71/67/721937167.db2.gz KVHFUQUWYDGIRL-WMZOPIPTSA-N 1 3 349.544 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754746 721937168 /nfs/dbraw/zinc/93/71/68/721937168.db2.gz KVHFUQUWYDGIRL-WMZOPIPTSA-N 1 3 349.544 2.808 20 0 EFADHO Cn1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(C(C)(C)C)n1 ZINC000261906785 721956698 /nfs/dbraw/zinc/95/66/98/721956698.db2.gz XLXMXMHWZQBTEA-AEFFLSMTSA-N 1 3 326.488 2.892 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3cccc(Cl)c3)C2)CC1 ZINC001028779327 721982332 /nfs/dbraw/zinc/98/23/32/721982332.db2.gz ZBMMMYQERUEOSH-INIZCTEOSA-N 1 3 349.906 2.620 20 0 EFADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802471 722005756 /nfs/dbraw/zinc/00/57/56/722005756.db2.gz PDWXZVPXBRFZNZ-IEBWSBKVSA-N 1 3 349.494 2.591 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410133 722042350 /nfs/dbraw/zinc/04/23/50/722042350.db2.gz PQYYMQMKVRJBHU-ROUUACIJSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410133 722042353 /nfs/dbraw/zinc/04/23/53/722042353.db2.gz PQYYMQMKVRJBHU-ROUUACIJSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410133 722042356 /nfs/dbraw/zinc/04/23/56/722042356.db2.gz PQYYMQMKVRJBHU-ROUUACIJSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001038410133 722042359 /nfs/dbraw/zinc/04/23/59/722042359.db2.gz PQYYMQMKVRJBHU-ROUUACIJSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001038410133 722042360 /nfs/dbraw/zinc/04/23/60/722042360.db2.gz PQYYMQMKVRJBHU-ROUUACIJSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001028845546 722044205 /nfs/dbraw/zinc/04/42/05/722044205.db2.gz MILFVEAWUNXLJS-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001028845546 722044207 /nfs/dbraw/zinc/04/42/07/722044207.db2.gz MILFVEAWUNXLJS-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000415 722616409 /nfs/dbraw/zinc/61/64/09/722616409.db2.gz CTROLVQNTLNDQF-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000415 722616410 /nfs/dbraw/zinc/61/64/10/722616410.db2.gz CTROLVQNTLNDQF-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001029000724 722617340 /nfs/dbraw/zinc/61/73/40/722617340.db2.gz IHRCENQSVQSAFQ-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001029000724 722617341 /nfs/dbraw/zinc/61/73/41/722617341.db2.gz IHRCENQSVQSAFQ-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001007 722617578 /nfs/dbraw/zinc/61/75/78/722617578.db2.gz NQTYUHSJUFEZLK-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001007 722617580 /nfs/dbraw/zinc/61/75/80/722617580.db2.gz NQTYUHSJUFEZLK-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001318 722618441 /nfs/dbraw/zinc/61/84/41/722618441.db2.gz UWBUCLNVJKEALI-RDJZCZTQSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001318 722618443 /nfs/dbraw/zinc/61/84/43/722618443.db2.gz UWBUCLNVJKEALI-RDJZCZTQSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065186 722724986 /nfs/dbraw/zinc/72/49/86/722724986.db2.gz DHOAGDMYFKGIBR-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001029065369 722725501 /nfs/dbraw/zinc/72/55/01/722725501.db2.gz GGOXAJKOANRSKA-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029065610 722725726 /nfs/dbraw/zinc/72/57/26/722725726.db2.gz JECULOLTDMSTTN-VQIMIIECSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066405 722727334 /nfs/dbraw/zinc/72/73/34/722727334.db2.gz STUFQWLILPUKJJ-RHSMWYFYSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066580 722727597 /nfs/dbraw/zinc/72/75/97/722727597.db2.gz XEFXOISIMJSQCB-QFBILLFUSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CCCN(C)C1)[NH+](C)C ZINC000894753138 722836536 /nfs/dbraw/zinc/83/65/36/722836536.db2.gz HNHNHBKLOYXCMN-LNLFQRSKSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1)[NH+](C)C ZINC000894753136 722836637 /nfs/dbraw/zinc/83/66/37/722836637.db2.gz HNHNHBKLOYXCMN-LMMKCTJWSA-N 1 3 346.519 2.722 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000983659901 722844576 /nfs/dbraw/zinc/84/45/76/722844576.db2.gz CXPKKFGTIYYHRZ-SZMVWBNQSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC000983662068 722846916 /nfs/dbraw/zinc/84/69/16/722846916.db2.gz PRYUOOZTHKGWNT-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001029111243 722883269 /nfs/dbraw/zinc/88/32/69/722883269.db2.gz DZGHXXBCIXLMGH-HNAYVOBHSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029111687 722884158 /nfs/dbraw/zinc/88/41/58/722884158.db2.gz MSKKGFFKXRIMEY-QFBILLFUSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001029111466 722884271 /nfs/dbraw/zinc/88/42/71/722884271.db2.gz IJDMGKFXTLDBFP-MAUKXSAKSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001029143897 722922182 /nfs/dbraw/zinc/92/21/82/722922182.db2.gz CVKOJPPQGDFGEU-KXBFYZLASA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029144037 722922239 /nfs/dbraw/zinc/92/22/39/722922239.db2.gz ARHWDQBIAJXVBK-QZTJIDSGSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029147039 722925226 /nfs/dbraw/zinc/92/52/26/722925226.db2.gz MSKKGFFKXRIMEY-APWZRJJASA-N 1 3 331.504 2.744 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147174 722925448 /nfs/dbraw/zinc/92/54/48/722925448.db2.gz OAZZOQKPTSKOQC-IRXDYDNUSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001029173651 722941986 /nfs/dbraw/zinc/94/19/86/722941986.db2.gz QDCYLCVGIQUEGA-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174249 722942309 /nfs/dbraw/zinc/94/23/09/722942309.db2.gz VTZIWNMTSNKPHI-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173924 722942434 /nfs/dbraw/zinc/94/24/34/722942434.db2.gz TXCYGEWRBJSTMZ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000895943200 723066074 /nfs/dbraw/zinc/06/60/74/723066074.db2.gz VQZCLNIDDBXDMR-VQIMIIECSA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000895943200 723066077 /nfs/dbraw/zinc/06/60/77/723066077.db2.gz VQZCLNIDDBXDMR-VQIMIIECSA-N 1 3 347.503 2.581 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106730 723140595 /nfs/dbraw/zinc/14/05/95/723140595.db2.gz WNFROQSKQJROMH-YJBOKZPZSA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106730 723140598 /nfs/dbraw/zinc/14/05/98/723140598.db2.gz WNFROQSKQJROMH-YJBOKZPZSA-N 1 3 335.492 2.581 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000896163157 723163751 /nfs/dbraw/zinc/16/37/51/723163751.db2.gz DGHVFEAMRKXCGZ-IBGZPJMESA-N 1 3 347.503 2.535 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029329757 723358007 /nfs/dbraw/zinc/35/80/07/723358007.db2.gz GAVVPLSAJQUWKC-OTWHNJEPSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029329757 723358013 /nfs/dbraw/zinc/35/80/13/723358013.db2.gz GAVVPLSAJQUWKC-OTWHNJEPSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029329686 723358140 /nfs/dbraw/zinc/35/81/40/723358140.db2.gz GCZXJMFFUMFGNN-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029329686 723358142 /nfs/dbraw/zinc/35/81/42/723358142.db2.gz GCZXJMFFUMFGNN-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc2ccccc2s1 ZINC000262141242 723381942 /nfs/dbraw/zinc/38/19/42/723381942.db2.gz ZEJCSQLXJIFDOO-HNNXBMFYSA-N 1 3 331.485 2.721 20 0 EFADHO COC[C@H](CCO)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925112056 723389360 /nfs/dbraw/zinc/38/93/60/723389360.db2.gz SHYVWRWSPCTKQA-UMQXSMKFSA-N 1 3 332.488 2.559 20 0 EFADHO COC[C@H](CCO)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925112056 723389364 /nfs/dbraw/zinc/38/93/64/723389364.db2.gz SHYVWRWSPCTKQA-UMQXSMKFSA-N 1 3 332.488 2.559 20 0 EFADHO CN(C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCN(C)C1 ZINC000896607267 723404466 /nfs/dbraw/zinc/40/44/66/723404466.db2.gz CZIIVDNJZFBROD-HFCFLWKCSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000984798580 723494120 /nfs/dbraw/zinc/49/41/20/723494120.db2.gz ADWRURKXPZRWSN-VDGAXYAQSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000984799797 723494623 /nfs/dbraw/zinc/49/46/23/723494623.db2.gz KCBRUAYKWPBBSN-BFYDXBDKSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC000984800532 723494881 /nfs/dbraw/zinc/49/48/81/723494881.db2.gz PXFNPPHSINSPTE-GUDVDZBRSA-N 1 3 343.515 2.772 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)C1 ZINC000984807166 723497256 /nfs/dbraw/zinc/49/72/56/723497256.db2.gz GCWJGVQEAXLIEN-IEWDOMPSSA-N 1 3 347.547 2.639 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC000984802830 723500214 /nfs/dbraw/zinc/50/02/14/723500214.db2.gz CQGRBGAINVYINK-ATZDWAIDSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000984802831 723500303 /nfs/dbraw/zinc/50/03/03/723500303.db2.gz CQGRBGAINVYINK-SNRMKQJTSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC000984802889 723500655 /nfs/dbraw/zinc/50/06/55/723500655.db2.gz FBCGNLJJTWRYNH-YWTNHNAXSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000939214563 728828631 /nfs/dbraw/zinc/82/86/31/728828631.db2.gz LTVIFNQPBYEHOX-QRWLVFNGSA-N 1 3 348.450 2.742 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000984882245 723539315 /nfs/dbraw/zinc/53/93/15/723539315.db2.gz FCRNKJKHJASXJR-VAMGGRTRSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029503572 723581523 /nfs/dbraw/zinc/58/15/23/723581523.db2.gz ZJMCKXSFZWSTPL-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029503572 723581526 /nfs/dbraw/zinc/58/15/26/723581526.db2.gz ZJMCKXSFZWSTPL-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001029550294 723870062 /nfs/dbraw/zinc/87/00/62/723870062.db2.gz IIQQWGNUNILHEV-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029550294 723870065 /nfs/dbraw/zinc/87/00/65/723870065.db2.gz IIQQWGNUNILHEV-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000985149215 723886480 /nfs/dbraw/zinc/88/64/80/723886480.db2.gz MJYZMOJHURTZIK-FXRXJOCMSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000985149650 723886717 /nfs/dbraw/zinc/88/67/17/723886717.db2.gz NSZFRPPTLGDHFM-DWRORGKVSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985151452 723887566 /nfs/dbraw/zinc/88/75/66/723887566.db2.gz XUNSLGIXFMKFRW-PSBWJHGTSA-N 1 3 335.536 2.924 20 0 EFADHO C[NH2+]CCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000262477963 724090073 /nfs/dbraw/zinc/09/00/73/724090073.db2.gz ZBUWDGBHKRPPTD-UHFFFAOYSA-N 1 3 329.488 2.643 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327109 724127934 /nfs/dbraw/zinc/12/79/34/724127934.db2.gz CJUXSZILPMZBLJ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327109 724127935 /nfs/dbraw/zinc/12/79/35/724127935.db2.gz CJUXSZILPMZBLJ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000895428054 724128133 /nfs/dbraw/zinc/12/81/33/724128133.db2.gz FNVSOEANYZUDCR-MAUKXSAKSA-N 1 3 327.513 2.953 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC000985327359 724128429 /nfs/dbraw/zinc/12/84/29/724128429.db2.gz FPYOQHHXMNTYDX-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC000985327359 724128432 /nfs/dbraw/zinc/12/84/32/724128432.db2.gz FPYOQHHXMNTYDX-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985327957 724128899 /nfs/dbraw/zinc/12/88/99/724128899.db2.gz OMZYFWLSBSNXAS-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985327957 724128902 /nfs/dbraw/zinc/12/89/02/724128902.db2.gz OMZYFWLSBSNXAS-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029438078 724132662 /nfs/dbraw/zinc/13/26/62/724132662.db2.gz HTDNAIDDZZBLKT-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029438078 724132664 /nfs/dbraw/zinc/13/26/64/724132664.db2.gz HTDNAIDDZZBLKT-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331362 724135152 /nfs/dbraw/zinc/13/51/52/724135152.db2.gz FMXBOJJULRLHDT-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331362 724135154 /nfs/dbraw/zinc/13/51/54/724135154.db2.gz FMXBOJJULRLHDT-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000985334567 724135538 /nfs/dbraw/zinc/13/55/38/724135538.db2.gz ODNDVPVCSWHRGM-PMACEKPBSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000985334567 724135539 /nfs/dbraw/zinc/13/55/39/724135539.db2.gz ODNDVPVCSWHRGM-PMACEKPBSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCCCCC2)CC1 ZINC000985334485 724135721 /nfs/dbraw/zinc/13/57/21/724135721.db2.gz MWRDLSVHYXTKCV-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCCCC2)CC1 ZINC000985334485 724135723 /nfs/dbraw/zinc/13/57/23/724135723.db2.gz MWRDLSVHYXTKCV-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc(C2=NO[C@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1C ZINC000895499992 724170359 /nfs/dbraw/zinc/17/03/59/724170359.db2.gz FFQJGGPWCMGQPJ-SFHVURJKSA-N 1 3 345.487 2.959 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 ZINC000895500765 724171292 /nfs/dbraw/zinc/17/12/92/724171292.db2.gz MQMBMXVWVDYZDP-SFHVURJKSA-N 1 3 345.487 2.961 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029596651 724201108 /nfs/dbraw/zinc/20/11/08/724201108.db2.gz UABIHAVISJYKAZ-XLAORIBOSA-N 1 3 335.536 2.971 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029596651 724201111 /nfs/dbraw/zinc/20/11/11/724201111.db2.gz UABIHAVISJYKAZ-XLAORIBOSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1)[NH+]1CCCCC1 ZINC001029598375 724203861 /nfs/dbraw/zinc/20/38/61/724203861.db2.gz FFVFRHBNNCBQER-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCCC1 ZINC001029598375 724203865 /nfs/dbraw/zinc/20/38/65/724203865.db2.gz FFVFRHBNNCBQER-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCCC1 ZINC001029598375 724203869 /nfs/dbraw/zinc/20/38/69/724203869.db2.gz FFVFRHBNNCBQER-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO O=C(NCC1CN(C/C=C/c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817144 728888882 /nfs/dbraw/zinc/88/88/82/728888882.db2.gz RBPHFLMXEWBBDY-QPJJXVBHSA-N 1 3 346.434 2.709 20 0 EFADHO C[NH+](C)CCCNC(=S)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000727659603 724308456 /nfs/dbraw/zinc/30/84/56/724308456.db2.gz MHHURQSHZSGILG-GOSISDBHSA-N 1 3 348.560 2.629 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000895786371 724313439 /nfs/dbraw/zinc/31/34/39/724313439.db2.gz UZEAKJWVOVOIOY-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672635 724361746 /nfs/dbraw/zinc/36/17/46/724361746.db2.gz LTVDLKAHVWTDJS-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672635 724361750 /nfs/dbraw/zinc/36/17/50/724361750.db2.gz LTVDLKAHVWTDJS-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672727 724361835 /nfs/dbraw/zinc/36/18/35/724361835.db2.gz NLGSIKIZRCRGOR-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029672727 724361838 /nfs/dbraw/zinc/36/18/38/724361838.db2.gz NLGSIKIZRCRGOR-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029674488 724365868 /nfs/dbraw/zinc/36/58/68/724365868.db2.gz GZGJXISNXJPWSK-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029674488 724365871 /nfs/dbraw/zinc/36/58/71/724365871.db2.gz GZGJXISNXJPWSK-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001029675151 724367930 /nfs/dbraw/zinc/36/79/30/724367930.db2.gz LDZJHEWYTYCAGJ-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCCC2)C1 ZINC001029675151 724367933 /nfs/dbraw/zinc/36/79/33/724367933.db2.gz LDZJHEWYTYCAGJ-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001029675601 724368825 /nfs/dbraw/zinc/36/88/25/724368825.db2.gz REYZFMXQJSLQRR-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001029675601 724368831 /nfs/dbraw/zinc/36/88/31/724368831.db2.gz REYZFMXQJSLQRR-MJGOQNOKSA-N 1 3 347.478 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675993 724369527 /nfs/dbraw/zinc/36/95/27/724369527.db2.gz YZUDGRWPAQPEDR-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675993 724369529 /nfs/dbraw/zinc/36/95/29/724369529.db2.gz YZUDGRWPAQPEDR-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001029675963 724369549 /nfs/dbraw/zinc/36/95/49/724369549.db2.gz XYOFIVUJLBVIAI-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001029675963 724369552 /nfs/dbraw/zinc/36/95/52/724369552.db2.gz XYOFIVUJLBVIAI-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001029458957 724369744 /nfs/dbraw/zinc/36/97/44/724369744.db2.gz JGEHLBZEGGLQBF-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001029458957 724369746 /nfs/dbraw/zinc/36/97/46/724369746.db2.gz JGEHLBZEGGLQBF-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789568 724886475 /nfs/dbraw/zinc/88/64/75/724886475.db2.gz JVRVEAUXAIFFPI-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789568 724886478 /nfs/dbraw/zinc/88/64/78/724886478.db2.gz JVRVEAUXAIFFPI-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000985790080 724887031 /nfs/dbraw/zinc/88/70/31/724887031.db2.gz OZXFGDHZBTUREU-UHFFFAOYSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC000985790080 724887034 /nfs/dbraw/zinc/88/70/34/724887034.db2.gz OZXFGDHZBTUREU-UHFFFAOYSA-N 1 3 335.517 2.575 20 0 EFADHO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791013 724888246 /nfs/dbraw/zinc/88/82/46/724888246.db2.gz ACDIVQALRQSNBT-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791013 724888247 /nfs/dbraw/zinc/88/82/47/724888247.db2.gz ACDIVQALRQSNBT-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986808663 724892643 /nfs/dbraw/zinc/89/26/43/724892643.db2.gz JJNKFOTUCOVMBA-RDTXWAMCSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)c1 ZINC000986815262 724895218 /nfs/dbraw/zinc/89/52/18/724895218.db2.gz SIIBTKKDIUTKSO-KXBFYZLASA-N 1 3 347.478 2.555 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985802370 724896592 /nfs/dbraw/zinc/89/65/92/724896592.db2.gz RFBOHCGQCKOPAO-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985802370 724896593 /nfs/dbraw/zinc/89/65/93/724896593.db2.gz RFBOHCGQCKOPAO-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986936369 724960834 /nfs/dbraw/zinc/96/08/34/724960834.db2.gz HOXXSCPRSOOYQD-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)c1 ZINC000986939754 724962204 /nfs/dbraw/zinc/96/22/04/724962204.db2.gz OJDKEQRDBFEMAD-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940485 724962474 /nfs/dbraw/zinc/96/24/74/724962474.db2.gz QJHMLPSPNKZVBA-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942589 724963587 /nfs/dbraw/zinc/96/35/87/724963587.db2.gz UXPYHSNVNKYNDN-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)Cc3ccsc3)CC2)C1 ZINC001029995803 724982850 /nfs/dbraw/zinc/98/28/50/724982850.db2.gz ZDZDGNILVIMUCF-MRXNPFEDSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)Cc3ccsc3)CC2)C1 ZINC001029995803 724982852 /nfs/dbraw/zinc/98/28/52/724982852.db2.gz ZDZDGNILVIMUCF-MRXNPFEDSA-N 1 3 349.544 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001029999477 724993471 /nfs/dbraw/zinc/99/34/71/724993471.db2.gz ASKPQKDKYWISRG-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1cccc(C[N@@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001029999477 724993472 /nfs/dbraw/zinc/99/34/72/724993472.db2.gz ASKPQKDKYWISRG-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992008977 725459714 /nfs/dbraw/zinc/45/97/14/725459714.db2.gz FCHVGHVSWCQLPF-SFHLNBCPSA-N 1 3 345.531 2.940 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992008977 725459716 /nfs/dbraw/zinc/45/97/16/725459716.db2.gz FCHVGHVSWCQLPF-SFHLNBCPSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071954 725483518 /nfs/dbraw/zinc/48/35/18/725483518.db2.gz YZOUOHSUDFYQOB-IFXJQAMLSA-N 1 3 338.455 2.609 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)c1 ZINC000987251453 725612122 /nfs/dbraw/zinc/61/21/22/725612122.db2.gz BWXMTNKVCMUZBR-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252030 725612548 /nfs/dbraw/zinc/61/25/48/725612548.db2.gz DAWWILOEAFWSAP-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252770 725612702 /nfs/dbraw/zinc/61/27/02/725612702.db2.gz GVIPLSSTBNROTP-FUHWJXTLSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255288 725613472 /nfs/dbraw/zinc/61/34/72/725613472.db2.gz NZGZBLPZVVEXGQ-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255290 725613534 /nfs/dbraw/zinc/61/35/34/725613534.db2.gz NZGZBLPZVVEXGQ-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255825 725613952 /nfs/dbraw/zinc/61/39/52/725613952.db2.gz QROBNKXROMBTBT-SJLPKXTDSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360481 725669084 /nfs/dbraw/zinc/66/90/84/725669084.db2.gz VKMBLZNKBCNQCA-WMLDXEAASA-N 1 3 347.890 2.515 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360482 725669217 /nfs/dbraw/zinc/66/92/17/725669217.db2.gz VKMBLZNKBCNQCA-YOEHRIQHSA-N 1 3 347.890 2.515 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040725493 725712191 /nfs/dbraw/zinc/71/21/91/725712191.db2.gz ARVGYSORTHEKOK-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426713 725802337 /nfs/dbraw/zinc/80/23/37/725802337.db2.gz KKWGAFDBXZDEDW-SUMDDJOVSA-N 1 3 347.528 2.703 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426713 725802339 /nfs/dbraw/zinc/80/23/39/725802339.db2.gz KKWGAFDBXZDEDW-SUMDDJOVSA-N 1 3 347.528 2.703 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000152022639 725908669 /nfs/dbraw/zinc/90/86/69/725908669.db2.gz CUPPYIBAPIHCLD-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000261833719 725938480 /nfs/dbraw/zinc/93/84/80/725938480.db2.gz OKGNPGVBIMIIMY-HLIPFELVSA-N 1 3 343.515 2.525 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2)N(C)C ZINC001040735031 725963273 /nfs/dbraw/zinc/96/32/73/725963273.db2.gz HFERHPUHXITLCA-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO Cc1c([O-])ccc2c(C[NH+]3CCC(C[NH+](C)C)CC3)cc(=O)oc12 ZINC000729265625 726218324 /nfs/dbraw/zinc/21/83/24/726218324.db2.gz MAOODKBTSQHPCX-UHFFFAOYSA-N 1 3 330.428 2.581 20 0 EFADHO COc1cccc(CN2CCC(NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC000729285547 726226789 /nfs/dbraw/zinc/22/67/89/726226789.db2.gz HRACVWKVRPXRNU-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@H]3C2)C1 ZINC000992806177 726244238 /nfs/dbraw/zinc/24/42/38/726244238.db2.gz DJYFGTWTRACFHS-GBESFXJTSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908191191 727127217 /nfs/dbraw/zinc/12/72/17/727127217.db2.gz RGGFYQDMXGFZLP-MAUKXSAKSA-N 1 3 340.471 2.990 20 0 EFADHO C[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000908503596 727204751 /nfs/dbraw/zinc/20/47/51/727204751.db2.gz MDYOOYFJARUFFG-OAHLLOKOSA-N 1 3 340.471 2.847 20 0 EFADHO C[C@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000908503596 727204752 /nfs/dbraw/zinc/20/47/52/727204752.db2.gz MDYOOYFJARUFFG-OAHLLOKOSA-N 1 3 340.471 2.847 20 0 EFADHO CN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC12CCCCC2 ZINC000908571761 727218074 /nfs/dbraw/zinc/21/80/74/727218074.db2.gz LBCOZCCEVBTZRT-UHFFFAOYSA-N 1 3 343.515 2.881 20 0 EFADHO CC(C)=CCN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993481711 727289085 /nfs/dbraw/zinc/28/90/85/727289085.db2.gz SASTYNMSZOACOK-QZTJIDSGSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000993928442 727554782 /nfs/dbraw/zinc/55/47/82/727554782.db2.gz NGQQNGAKZCGTCD-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c1 ZINC000994249537 727667343 /nfs/dbraw/zinc/66/73/43/727667343.db2.gz HAXAAWDVPFAGRH-IEBWSBKVSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000994464474 727761141 /nfs/dbraw/zinc/76/11/41/727761141.db2.gz NWKUAPIKMOSSBO-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CC1CC1 ZINC000994464474 727761143 /nfs/dbraw/zinc/76/11/43/727761143.db2.gz NWKUAPIKMOSSBO-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000151141959 727789570 /nfs/dbraw/zinc/78/95/70/727789570.db2.gz CYGKKDMLGXRLKI-INIZCTEOSA-N 1 3 346.475 2.885 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976822 728170798 /nfs/dbraw/zinc/17/07/98/728170798.db2.gz SXKHORAWKPDCKP-OXJNMPFZSA-N 1 3 343.515 2.556 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976822 728170800 /nfs/dbraw/zinc/17/08/00/728170800.db2.gz SXKHORAWKPDCKP-OXJNMPFZSA-N 1 3 343.515 2.556 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](C/C=C\Cl)CC2)c1ccn2cncc2c1 ZINC000991624234 728177057 /nfs/dbraw/zinc/17/70/57/728177057.db2.gz LSZRJOURFGBVAK-XFFQIWAJSA-N 1 3 344.846 2.814 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2)c1ccn2cncc2c1 ZINC000991624234 728177060 /nfs/dbraw/zinc/17/70/60/728177060.db2.gz LSZRJOURFGBVAK-XFFQIWAJSA-N 1 3 344.846 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000995185516 728205851 /nfs/dbraw/zinc/20/58/51/728205851.db2.gz OJNRWLUBNBOABC-ZWKOTPCHSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000995186887 728222390 /nfs/dbraw/zinc/22/23/90/728222390.db2.gz QJWMTCVQRLXYHS-GDBMZVCRSA-N 1 3 332.492 2.571 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000158117390 728304053 /nfs/dbraw/zinc/30/40/53/728304053.db2.gz ISMOQVOCAHCAAQ-UGFHNGPFSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000158117390 728304055 /nfs/dbraw/zinc/30/40/55/728304055.db2.gz ISMOQVOCAHCAAQ-UGFHNGPFSA-N 1 3 327.266 2.555 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001031920824 728370008 /nfs/dbraw/zinc/37/00/08/728370008.db2.gz ALJXZKCEFMJZIP-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001031920824 728370010 /nfs/dbraw/zinc/37/00/10/728370010.db2.gz ALJXZKCEFMJZIP-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948770662 728377737 /nfs/dbraw/zinc/37/77/37/728377737.db2.gz KBJDJAVEKVRKML-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948770662 728377738 /nfs/dbraw/zinc/37/77/38/728377738.db2.gz KBJDJAVEKVRKML-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC000948772052 728381230 /nfs/dbraw/zinc/38/12/30/728381230.db2.gz RDWBNAXTHLEOOU-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC000948772052 728381232 /nfs/dbraw/zinc/38/12/32/728381232.db2.gz RDWBNAXTHLEOOU-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942259980 728386426 /nfs/dbraw/zinc/38/64/26/728386426.db2.gz VATZLMZJMYYEEX-DOTOQJQBSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948775682 728390816 /nfs/dbraw/zinc/39/08/16/728390816.db2.gz OHOSGRCJUSDUBN-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948775682 728390818 /nfs/dbraw/zinc/39/08/18/728390818.db2.gz OHOSGRCJUSDUBN-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948829646 728530278 /nfs/dbraw/zinc/53/02/78/728530278.db2.gz SDCSLPXIFHVNEP-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948829646 728530281 /nfs/dbraw/zinc/53/02/81/728530281.db2.gz SDCSLPXIFHVNEP-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948829645 728530311 /nfs/dbraw/zinc/53/03/11/728530311.db2.gz SDCSLPXIFHVNEP-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948829645 728530313 /nfs/dbraw/zinc/53/03/13/728530313.db2.gz SDCSLPXIFHVNEP-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO C[C@H]1CCCCN1CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837025 728538851 /nfs/dbraw/zinc/53/88/51/728538851.db2.gz GEWRQUYRPISZIC-FHERZECASA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837025 728538852 /nfs/dbraw/zinc/53/88/52/728538852.db2.gz GEWRQUYRPISZIC-FHERZECASA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837025 728538853 /nfs/dbraw/zinc/53/88/53/728538853.db2.gz GEWRQUYRPISZIC-FHERZECASA-N 1 3 325.497 2.896 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C2CC2)cc1 ZINC000919770907 729084280 /nfs/dbraw/zinc/08/42/80/729084280.db2.gz VKEGVATYSVTARH-APWZRJJASA-N 1 3 332.488 2.752 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC000939753966 729107495 /nfs/dbraw/zinc/10/74/95/729107495.db2.gz KGSVXKYUPLAUPQ-CRAIPNDOSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2C)c(Cl)c1 ZINC000939756993 729113065 /nfs/dbraw/zinc/11/30/65/729113065.db2.gz WIIGRYWXNIIUNW-CRAIPNDOSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000939800139 729125750 /nfs/dbraw/zinc/12/57/50/729125750.db2.gz FTYWIRRGMZPAFK-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031665839 729199766 /nfs/dbraw/zinc/19/97/66/729199766.db2.gz IWSVXRRWNTUYOY-VQIMIIECSA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031665839 729199767 /nfs/dbraw/zinc/19/97/67/729199767.db2.gz IWSVXRRWNTUYOY-VQIMIIECSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1cc(C)c(CN2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001031681527 729253243 /nfs/dbraw/zinc/25/32/43/729253243.db2.gz WOEWIFNDZKBZDZ-IEBWSBKVSA-N 1 3 343.515 2.500 20 0 EFADHO Cc1cc(C)c(CN2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001031681527 729253245 /nfs/dbraw/zinc/25/32/45/729253245.db2.gz WOEWIFNDZKBZDZ-IEBWSBKVSA-N 1 3 343.515 2.500 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3cccc(C)c3)C2)CC[N@@H+]1C ZINC001031684128 729260740 /nfs/dbraw/zinc/26/07/40/729260740.db2.gz IDDSLCHIGSKHRU-FFZOFVMBSA-N 1 3 343.515 2.834 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3cccc(C)c3)C2)CC[N@H+]1C ZINC001031684128 729260742 /nfs/dbraw/zinc/26/07/42/729260742.db2.gz IDDSLCHIGSKHRU-FFZOFVMBSA-N 1 3 343.515 2.834 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031715069 729497938 /nfs/dbraw/zinc/49/79/38/729497938.db2.gz PSQSYKQPQPSPGE-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001031713861 729498269 /nfs/dbraw/zinc/49/82/69/729498269.db2.gz GYEBMWYEHYIISP-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001031713861 729498270 /nfs/dbraw/zinc/49/82/70/729498270.db2.gz GYEBMWYEHYIISP-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031728959 729559499 /nfs/dbraw/zinc/55/94/99/729559499.db2.gz DVYCMNIPKXZRFH-LJQANCHMSA-N 1 3 333.520 2.513 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031728959 729559503 /nfs/dbraw/zinc/55/95/03/729559503.db2.gz DVYCMNIPKXZRFH-LJQANCHMSA-N 1 3 333.520 2.513 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cc(Br)nn1C ZINC000785418742 1110060447 /nfs/dbraw/zinc/06/04/47/1110060447.db2.gz ZNAJDSOWVAKRMV-CYBMUJFWSA-N 1 3 343.313 2.927 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cc(Br)nn1C ZINC000785418742 1110060450 /nfs/dbraw/zinc/06/04/50/1110060450.db2.gz ZNAJDSOWVAKRMV-CYBMUJFWSA-N 1 3 343.313 2.927 20 0 EFADHO CC[N@@H+]1C[C@@]2(C[C@@H](NCc3cnc(C4CC4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423130 1126206659 /nfs/dbraw/zinc/20/66/59/1126206659.db2.gz ICCBOLYGLOQHNR-DFEOGRTESA-N 1 3 349.544 2.980 20 0 EFADHO CC[N@H+]1C[C@@]2(C[C@@H](NCc3cnc(C4CC4)s3)[C@@H](O)C2)[C@@H]1C(C)C ZINC001550423130 1126206662 /nfs/dbraw/zinc/20/66/62/1126206662.db2.gz ICCBOLYGLOQHNR-DFEOGRTESA-N 1 3 349.544 2.980 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(C3CC3)s1)C2 ZINC001550422577 1126206676 /nfs/dbraw/zinc/20/66/76/1126206676.db2.gz ZVKVPWZALZVXDH-DFGXFYAUSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@@H](NCc1cnc(C3CC3)s1)C2 ZINC001550422577 1126206679 /nfs/dbraw/zinc/20/66/79/1126206679.db2.gz ZVKVPWZALZVXDH-DFGXFYAUSA-N 1 3 335.517 2.590 20 0 EFADHO CCc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001569988056 1085824935 /nfs/dbraw/zinc/82/49/35/1085824935.db2.gz ULURCEDTRMCAHG-UYAOXDASSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H](CNC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001646517347 1087823453 /nfs/dbraw/zinc/82/34/53/1087823453.db2.gz SBIMULMQCNVNSA-KEYYUXOJSA-N 1 3 328.884 2.566 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC001646736963 1088190420 /nfs/dbraw/zinc/19/04/20/1088190420.db2.gz OKEMAPGVEPMDFL-IBGZPJMESA-N 1 3 331.504 2.793 20 0 EFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC001575124878 1088254233 /nfs/dbraw/zinc/25/42/33/1088254233.db2.gz GUXWVHOUMHMWNY-IAGOWNOFSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C)CC(C)(C)N1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC001575124880 1088256208 /nfs/dbraw/zinc/25/62/08/1088256208.db2.gz GUXWVHOUMHMWNY-SJORKVTESA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C)OC(=O)N1CC(N(CCCC2CC[NH2+]CC2)C2CC2)C1 ZINC001575168675 1088285212 /nfs/dbraw/zinc/28/52/12/1088285212.db2.gz DIJHIWPRAUQZJG-UHFFFAOYSA-N 1 3 337.508 2.850 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+]CC1(CN)CCC1 ZINC001575191133 1088300200 /nfs/dbraw/zinc/30/02/00/1088300200.db2.gz NILICECSNSASGM-HNNXBMFYSA-N 1 3 325.497 2.885 20 0 EFADHO CC(C)(C)OC(=O)N[C@H](CN[C@H]1CC[NH2+]C2(CCC2)C1)CC(F)F ZINC001575208261 1088310025 /nfs/dbraw/zinc/31/00/25/1088310025.db2.gz GCDJVCFCBRHEGJ-STQMWFEESA-N 1 3 347.450 2.799 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001575263208 1088347428 /nfs/dbraw/zinc/34/74/28/1088347428.db2.gz UZIVNVGXUOPFMS-GOSISDBHSA-N 1 3 343.515 2.974 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1=CCC[NH2+]CC1 ZINC001575423178 1088458693 /nfs/dbraw/zinc/45/86/93/1088458693.db2.gz QQBXOFCCXXPLTM-LJQANCHMSA-N 1 3 329.488 2.569 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(F)(F)CC1 ZINC001575933687 1088784233 /nfs/dbraw/zinc/78/42/33/1088784233.db2.gz JKDRUDCQOPLSEE-HOTGVXAUSA-N 1 3 348.478 2.844 20 0 EFADHO C[C@H](NC(=O)c1cc2c(s1)CNCC2)[C@H](c1ccccc1)[NH+](C)C ZINC001576224307 1089024911 /nfs/dbraw/zinc/02/49/11/1089024911.db2.gz FLUVXTHULLXVGF-SCLBCKFNSA-N 1 3 343.496 2.815 20 0 EFADHO c1ccc(CN2C[C@H]3CC[C@@H](C2)C3[NH2+]CCN2CCCCC2)cc1 ZINC001647213241 1089091446 /nfs/dbraw/zinc/09/14/46/1089091446.db2.gz PRWYAHVQTMXGHX-WCRBZPEASA-N 1 3 327.516 2.973 20 0 EFADHO CCOC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001647231074 1089139230 /nfs/dbraw/zinc/13/92/30/1089139230.db2.gz IAVVSEVSKPBIRV-NXEWRWPSSA-N 1 3 332.488 2.559 20 0 EFADHO CCOC[C@@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001647231074 1089139233 /nfs/dbraw/zinc/13/92/33/1089139233.db2.gz IAVVSEVSKPBIRV-NXEWRWPSSA-N 1 3 332.488 2.559 20 0 EFADHO CCOC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001647231075 1089139271 /nfs/dbraw/zinc/13/92/71/1089139271.db2.gz IAVVSEVSKPBIRV-RAFMOHDBSA-N 1 3 332.488 2.559 20 0 EFADHO CCOC[C@H](O)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001647231075 1089139273 /nfs/dbraw/zinc/13/92/73/1089139273.db2.gz IAVVSEVSKPBIRV-RAFMOHDBSA-N 1 3 332.488 2.559 20 0 EFADHO [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC001647247713 1089162226 /nfs/dbraw/zinc/16/22/26/1089162226.db2.gz BAPCXJRUBJMVBK-RBUKOAKNSA-N 1 3 329.488 2.847 20 0 EFADHO CC1(C)C[NH2+][C@H]1C1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001576469619 1089276442 /nfs/dbraw/zinc/27/64/42/1089276442.db2.gz QNZHDJGZCTVLTJ-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC001576574427 1089334405 /nfs/dbraw/zinc/33/44/05/1089334405.db2.gz XBXIKCPKZCLWOF-QEEHTWDDSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001576600207 1089349402 /nfs/dbraw/zinc/34/94/02/1089349402.db2.gz YYSPNIRHGYQUDN-TWMKSMIVSA-N 1 3 339.524 2.857 20 0 EFADHO C[C@H]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001576669892 1089387782 /nfs/dbraw/zinc/38/77/82/1089387782.db2.gz BSKODXREKPTVIB-WFXMFSGNSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693549 1089400662 /nfs/dbraw/zinc/40/06/62/1089400662.db2.gz HGALIBJXYHPNIB-CVEARBPZSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2nc3c(s2)CNCC3)C1 ZINC001576693549 1089400671 /nfs/dbraw/zinc/40/06/71/1089400671.db2.gz HGALIBJXYHPNIB-CVEARBPZSA-N 1 3 348.560 2.875 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001576797140 1089467301 /nfs/dbraw/zinc/46/73/01/1089467301.db2.gz AMOPXAFCXSBAOH-KYHPRHEASA-N 1 3 329.488 2.660 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC001647558550 1089541993 /nfs/dbraw/zinc/54/19/93/1089541993.db2.gz HMILDPQDDWDGGR-XLIONFOSSA-N 1 3 342.483 2.901 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccccc1C[NH3+])c1ccco1 ZINC001577004060 1089577502 /nfs/dbraw/zinc/57/75/02/1089577502.db2.gz QGKMYRXWRXZUHB-PBHICJAKSA-N 1 3 344.459 2.667 20 0 EFADHO CCCc1ccc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)cc1 ZINC001577608808 1090078649 /nfs/dbraw/zinc/07/86/49/1090078649.db2.gz MDGYHTBUZRLCNV-UHFFFAOYSA-N 1 3 335.455 2.968 20 0 EFADHO CCN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577631386 1090090264 /nfs/dbraw/zinc/09/02/64/1090090264.db2.gz GYNUMQOVLZYSMZ-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@H]([NH3+])CCC(C)C)c2)CC1 ZINC001577780598 1090178600 /nfs/dbraw/zinc/17/86/00/1090178600.db2.gz ACIXLRHGQKCIKZ-GOSISDBHSA-N 1 3 332.492 2.531 20 0 EFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(N)c1 ZINC001578157437 1090283194 /nfs/dbraw/zinc/28/31/94/1090283194.db2.gz FLFTVNTYIQISQD-TZIWHRDSSA-N 1 3 339.483 2.896 20 0 EFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1cccc(N)c1 ZINC001578157437 1090283197 /nfs/dbraw/zinc/28/31/97/1090283197.db2.gz FLFTVNTYIQISQD-TZIWHRDSSA-N 1 3 339.483 2.896 20 0 EFADHO C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc2c(c1)CNC2 ZINC001578417291 1090366960 /nfs/dbraw/zinc/36/69/60/1090366960.db2.gz WHALSBJEGUJHNE-UHFFFAOYSA-N 1 3 337.467 2.536 20 0 EFADHO CN(Cc1c(C(F)(F)F)nc2n1CCCC2)CC1CC[NH2+]CC1 ZINC001578486702 1090384610 /nfs/dbraw/zinc/38/46/10/1090384610.db2.gz WSHMAOPRCJHWQT-UHFFFAOYSA-N 1 3 330.398 2.670 20 0 EFADHO C[NH2+]CCC1CCN([C@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC001578677895 1090419292 /nfs/dbraw/zinc/41/92/92/1090419292.db2.gz RYQDOOFSVJDBCE-BEFAXECRSA-N 1 3 347.478 2.809 20 0 EFADHO C[NH2+]CCC1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC001578677898 1090419797 /nfs/dbraw/zinc/41/97/97/1090419797.db2.gz RYQDOOFSVJDBCE-KXBFYZLASA-N 1 3 347.478 2.809 20 0 EFADHO C[NH2+]Cc1ccccc1CNC(=O)c1ccc(NC2=NCCC2)cc1 ZINC001578741707 1090432133 /nfs/dbraw/zinc/43/21/33/1090432133.db2.gz VBPDMGANKVDHCI-UHFFFAOYSA-N 1 3 336.439 2.940 20 0 EFADHO COC(=O)c1cccc2c(CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccnc12 ZINC001578878287 1090461997 /nfs/dbraw/zinc/46/19/97/1090461997.db2.gz TVBNVUWIDFSJJV-YCPHGPKFSA-N 1 3 341.455 2.827 20 0 EFADHO COCC[C@H]([NH3+])CNCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001579004389 1090495144 /nfs/dbraw/zinc/49/51/44/1090495144.db2.gz TXQOKIUIOLLJKR-AWEZNQCLSA-N 1 3 346.393 2.960 20 0 EFADHO COc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001579134858 1090522833 /nfs/dbraw/zinc/52/28/33/1090522833.db2.gz QMBFFYMLQKQOBK-GFCCVEGCSA-N 1 3 331.243 2.613 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC001579195570 1090542000 /nfs/dbraw/zinc/54/20/00/1090542000.db2.gz XPKKHDRDWQYUNF-SFHVURJKSA-N 1 3 347.503 2.713 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC001579199815 1090543324 /nfs/dbraw/zinc/54/33/24/1090543324.db2.gz LMAOZPSYKRBIAG-WMZOPIPTSA-N 1 3 345.487 2.525 20 0 EFADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cnn1C ZINC001579530704 1090627572 /nfs/dbraw/zinc/62/75/72/1090627572.db2.gz WNNOFZZOMAZYBU-UXHICEINSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cnn1C ZINC001579530704 1090627576 /nfs/dbraw/zinc/62/75/76/1090627576.db2.gz WNNOFZZOMAZYBU-UXHICEINSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1cc(Cl)cc(C)c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001579604835 1090640949 /nfs/dbraw/zinc/64/09/49/1090640949.db2.gz ABXZKVOCDGLSIL-HNNXBMFYSA-N 1 3 349.828 2.883 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCCCCC3)C2)cc1 ZINC001579691040 1090662840 /nfs/dbraw/zinc/66/28/40/1090662840.db2.gz ISUUBXBVRWMQLE-WOJBJXKFSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)c(CN(C)C)c1 ZINC001579715105 1090669417 /nfs/dbraw/zinc/66/94/17/1090669417.db2.gz GDSCWPCZUSYYCS-MNEFBYGVSA-N 1 3 345.487 2.542 20 0 EFADHO Cc1nc(CNC2(C3CC[NH2+]CC3)CC2)sc1Br ZINC001579858617 1090706654 /nfs/dbraw/zinc/70/66/54/1090706654.db2.gz IFAPKCJZHSLXAZ-UHFFFAOYSA-N 1 3 330.295 2.836 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001579764917 1090681952 /nfs/dbraw/zinc/68/19/52/1090681952.db2.gz IZFHNCJGPMJQOV-YJBOKZPZSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC001579764914 1090681971 /nfs/dbraw/zinc/68/19/71/1090681971.db2.gz IZFHNCJGPMJQOV-CRAIPNDOSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1cccc2c(CC[NH2+]Cc3nc4c(s3)CNCC4)c[nH]c21 ZINC001579776806 1090684839 /nfs/dbraw/zinc/68/48/39/1090684839.db2.gz RTFDCQFLBVZPJH-UHFFFAOYSA-N 1 3 326.469 2.911 20 0 EFADHO Cn1c2ccccc2nc1C(C)(C)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001579944201 1090729431 /nfs/dbraw/zinc/72/94/31/1090729431.db2.gz GQVSIWYTVMKUIO-HNNXBMFYSA-N 1 3 342.487 2.557 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C2CCCC2)n1 ZINC001579961704 1090733803 /nfs/dbraw/zinc/73/38/03/1090733803.db2.gz RHHHJINMZLOSEW-ICSRJNTNSA-N 1 3 346.519 2.796 20 0 EFADHO FC(F)(F)CCN1CCC(Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC001580018128 1090742993 /nfs/dbraw/zinc/74/29/93/1090742993.db2.gz BDSOZERJBKKMLF-UHFFFAOYSA-N 1 3 343.393 2.997 20 0 EFADHO FC(F)Cn1cc(CN2CCC([C@@H]3CCC[NH2+]CC3)CC2)cn1 ZINC001580024129 1090744967 /nfs/dbraw/zinc/74/49/67/1090744967.db2.gz QITAVFOTIJXPEU-OAHLLOKOSA-N 1 3 326.435 2.750 20 0 EFADHO Fc1cc(OC(F)F)ccc1CNC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001580029611 1090746735 /nfs/dbraw/zinc/74/67/35/1090746735.db2.gz ZOEOTTDCCFEEAN-CQSZACIVSA-N 1 3 344.377 2.675 20 0 EFADHO Fc1cncc(Br)c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001580035273 1090749418 /nfs/dbraw/zinc/74/94/18/1090749418.db2.gz XAPCTLDHIHLOFA-UHFFFAOYSA-N 1 3 342.256 2.949 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCC(=O)N1CCCC1 ZINC001580215831 1090814431 /nfs/dbraw/zinc/81/44/31/1090814431.db2.gz PCIOWFIUBKRCFC-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)N1CCCC1 ZINC001580215831 1090814436 /nfs/dbraw/zinc/81/44/36/1090814436.db2.gz PCIOWFIUBKRCFC-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216084 1090814650 /nfs/dbraw/zinc/81/46/50/1090814650.db2.gz UHTLQCSWTAFNOG-RTBURBONSA-N 1 3 325.456 2.959 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216084 1090814654 /nfs/dbraw/zinc/81/46/54/1090814654.db2.gz UHTLQCSWTAFNOG-RTBURBONSA-N 1 3 325.456 2.959 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CCN3C3CCCC3)cc21 ZINC001580264315 1090840733 /nfs/dbraw/zinc/84/07/33/1090840733.db2.gz LZMDKBCKFWWFDP-HKUYNNGSSA-N 1 3 341.499 2.812 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3CCCCN3C3CC3)cc21 ZINC001580264132 1090841272 /nfs/dbraw/zinc/84/12/72/1090841272.db2.gz FNVNUUPXTJFSES-PKOBYXMFSA-N 1 3 341.499 2.812 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349340 1090874671 /nfs/dbraw/zinc/87/46/71/1090874671.db2.gz TXYIKPPUEQXCPH-ZWKOTPCHSA-N 1 3 347.507 2.646 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349340 1090874687 /nfs/dbraw/zinc/87/46/87/1090874687.db2.gz TXYIKPPUEQXCPH-ZWKOTPCHSA-N 1 3 347.507 2.646 20 0 EFADHO O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N(CCN1CCCC1)c1ccccc1 ZINC001580479781 1090913455 /nfs/dbraw/zinc/91/34/55/1090913455.db2.gz XOVLYZOEBOMBQD-AZUAARDMSA-N 1 3 327.472 2.505 20 0 EFADHO O=C([C@H]1C[C@@]12CCC[NH2+]C2)N(CCN1CCCC1)c1ccccc1 ZINC001580479785 1090913583 /nfs/dbraw/zinc/91/35/83/1090913583.db2.gz XOVLYZOEBOMBQD-UYAOXDASSA-N 1 3 327.472 2.505 20 0 EFADHO O=C(N[C@@H]1CCCCCN(Cc2ccccc2)C1)C1(F)CC[NH2+]CC1 ZINC001580607007 1090964268 /nfs/dbraw/zinc/96/42/68/1090964268.db2.gz HPLKCPRTBPDJOX-GOSISDBHSA-N 1 3 347.478 2.639 20 0 EFADHO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc(NC2=NCCC2)cc1 ZINC001580614099 1090966649 /nfs/dbraw/zinc/96/66/49/1090966649.db2.gz VSSPCLJCPMMORL-INIZCTEOSA-N 1 3 326.444 2.695 20 0 EFADHO O=c1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)nc(-c2ccccc2)[n-]1 ZINC001580888523 1091035370 /nfs/dbraw/zinc/03/53/70/1091035370.db2.gz OBJLMANYUTXXII-UHFFFAOYSA-N 1 3 338.455 2.815 20 0 EFADHO O=c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)nc(-c2ccccc2)[n-]1 ZINC001580888523 1091035378 /nfs/dbraw/zinc/03/53/78/1091035378.db2.gz OBJLMANYUTXXII-UHFFFAOYSA-N 1 3 338.455 2.815 20 0 EFADHO CC(C)(C)[NH2+]CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC001649695710 1092592937 /nfs/dbraw/zinc/59/29/37/1092592937.db2.gz WTYQJGDEWYJULY-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)c2)CC1 ZINC001649722700 1092623111 /nfs/dbraw/zinc/62/31/11/1092623111.db2.gz CMGUHOUVWRGHTB-LJQANCHMSA-N 1 3 345.531 2.870 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)c2)CC1 ZINC001649722698 1092623222 /nfs/dbraw/zinc/62/32/22/1092623222.db2.gz CMGUHOUVWRGHTB-IBGZPJMESA-N 1 3 345.531 2.870 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC001115601647 1092654894 /nfs/dbraw/zinc/65/48/94/1092654894.db2.gz LNCLWDAQDHWSNH-XFXZXTDPSA-N 1 3 329.916 2.878 20 0 EFADHO C[NH2+][C@@H](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001649836824 1092726615 /nfs/dbraw/zinc/72/66/15/1092726615.db2.gz LPJHCRSDDIECBQ-WMZOPIPTSA-N 1 3 332.492 2.511 20 0 EFADHO C[NH2+][C@H](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001649836821 1092726960 /nfs/dbraw/zinc/72/69/60/1092726960.db2.gz LPJHCRSDDIECBQ-AEFFLSMTSA-N 1 3 332.492 2.511 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448118 1092757686 /nfs/dbraw/zinc/75/76/86/1092757686.db2.gz OIPXRCTYGJDPRD-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448118 1092757690 /nfs/dbraw/zinc/75/76/90/1092757690.db2.gz OIPXRCTYGJDPRD-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001649981849 1092847919 /nfs/dbraw/zinc/84/79/19/1092847919.db2.gz OAIPAVIYTLFQHT-XUVXKRRUSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001649981849 1092847923 /nfs/dbraw/zinc/84/79/23/1092847923.db2.gz OAIPAVIYTLFQHT-XUVXKRRUSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC001087213469 1092872725 /nfs/dbraw/zinc/87/27/25/1092872725.db2.gz WNWFIHPKKIJGNI-NUJGCVRESA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)c1 ZINC001087219492 1092969512 /nfs/dbraw/zinc/96/95/12/1092969512.db2.gz AACRFVRZURVXNA-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001087219172 1092969547 /nfs/dbraw/zinc/96/95/47/1092969547.db2.gz LJEHQESCJILRNG-MDZRGWNJSA-N 1 3 340.471 2.930 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001087219896 1092972882 /nfs/dbraw/zinc/97/28/82/1092972882.db2.gz UVAVFVZLCHWTCZ-AFNJWWOFSA-N 1 3 346.519 2.995 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158175 1092987446 /nfs/dbraw/zinc/98/74/46/1092987446.db2.gz HTJCYJHEJXXOAR-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158175 1092987456 /nfs/dbraw/zinc/98/74/56/1092987456.db2.gz HTJCYJHEJXXOAR-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC001650158175 1092987465 /nfs/dbraw/zinc/98/74/65/1092987465.db2.gz HTJCYJHEJXXOAR-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO Cc1cc(C)c(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001480921385 1093021506 /nfs/dbraw/zinc/02/15/06/1093021506.db2.gz MFAQKANGWIMDOA-UHFFFAOYSA-N 1 3 345.531 2.892 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453744 1093038546 /nfs/dbraw/zinc/03/85/46/1093038546.db2.gz AFBFHCZLBZMKRI-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001075453744 1093038553 /nfs/dbraw/zinc/03/85/53/1093038553.db2.gz AFBFHCZLBZMKRI-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453975 1093039319 /nfs/dbraw/zinc/03/93/19/1093039319.db2.gz HXAJVZHKRADQKQ-APWZRJJASA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453975 1093039326 /nfs/dbraw/zinc/03/93/26/1093039326.db2.gz HXAJVZHKRADQKQ-APWZRJJASA-N 1 3 335.536 2.687 20 0 EFADHO CN1CC[C@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230153 1093045696 /nfs/dbraw/zinc/04/56/96/1093045696.db2.gz YXHBPULSXMVJKB-IAQYHMDHSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@@H+]1CC[C@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230153 1093045705 /nfs/dbraw/zinc/04/57/05/1093045705.db2.gz YXHBPULSXMVJKB-IAQYHMDHSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@H+]1CC[C@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230153 1093045713 /nfs/dbraw/zinc/04/57/13/1093045713.db2.gz YXHBPULSXMVJKB-IAQYHMDHSA-N 1 3 335.814 2.956 20 0 EFADHO CC1(C)CC([NH3+])CC(C)(C)N1c1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001167625135 1093137685 /nfs/dbraw/zinc/13/76/85/1093137685.db2.gz SUJRTAATPVPLGU-MRXNPFEDSA-N 1 3 343.519 2.771 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001167635218 1093168050 /nfs/dbraw/zinc/16/80/50/1093168050.db2.gz LJZBDEVSFMHDIL-JKSUJKDBSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001167635674 1093169399 /nfs/dbraw/zinc/16/93/99/1093169399.db2.gz NAXBWIHAHNTIAG-HXUWFJFHSA-N 1 3 345.531 2.978 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)cc1F ZINC001167636571 1093170323 /nfs/dbraw/zinc/17/03/23/1093170323.db2.gz VLDWCZMRWUJDPD-IBGZPJMESA-N 1 3 349.494 2.993 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC(C)CC2)C1 ZINC001087230728 1093184065 /nfs/dbraw/zinc/18/40/65/1093184065.db2.gz KSGXBMHASSPMBZ-OAHAVBBTSA-N 1 3 349.563 2.981 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075458470 1093229874 /nfs/dbraw/zinc/22/98/74/1093229874.db2.gz HCNRUFFXQRFOEX-QGZVFWFLSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075458470 1093229881 /nfs/dbraw/zinc/22/98/81/1093229881.db2.gz HCNRUFFXQRFOEX-QGZVFWFLSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001590039019 1093233022 /nfs/dbraw/zinc/23/30/22/1093233022.db2.gz SVTZJFKVPDKIPM-HNNXBMFYSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001590039019 1093233028 /nfs/dbraw/zinc/23/30/28/1093233028.db2.gz SVTZJFKVPDKIPM-HNNXBMFYSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)nnn2C ZINC001650627671 1093476097 /nfs/dbraw/zinc/47/60/97/1093476097.db2.gz QOJATZOPRHHKHG-LPHOPBHVSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc2c(c1)nnn2C ZINC001650627671 1093476103 /nfs/dbraw/zinc/47/61/03/1093476103.db2.gz QOJATZOPRHHKHG-LPHOPBHVSA-N 1 3 349.482 2.969 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2Cl ZINC001480931711 1093528458 /nfs/dbraw/zinc/52/84/58/1093528458.db2.gz BXSGVYHHNBGHKE-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2c1cccc2Cl ZINC001480931711 1093528465 /nfs/dbraw/zinc/52/84/65/1093528465.db2.gz BXSGVYHHNBGHKE-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO CC[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590727430 1093557986 /nfs/dbraw/zinc/55/79/86/1093557986.db2.gz JAPDWRSOXOQRJG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001590727430 1093557990 /nfs/dbraw/zinc/55/79/90/1093557990.db2.gz JAPDWRSOXOQRJG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590727430 1093557996 /nfs/dbraw/zinc/55/79/96/1093557996.db2.gz JAPDWRSOXOQRJG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001590727430 1093558002 /nfs/dbraw/zinc/55/80/02/1093558002.db2.gz JAPDWRSOXOQRJG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH2+]CC1 ZINC001591769068 1093853009 /nfs/dbraw/zinc/85/30/09/1093853009.db2.gz SKNPGXVPSNRFHO-SCLBCKFNSA-N 1 3 340.475 2.612 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH2+]CC1 ZINC001591769068 1093853013 /nfs/dbraw/zinc/85/30/13/1093853013.db2.gz SKNPGXVPSNRFHO-SCLBCKFNSA-N 1 3 340.475 2.612 20 0 EFADHO [NH3+]CCC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001592743829 1094184473 /nfs/dbraw/zinc/18/44/73/1094184473.db2.gz FAKBRFAFEUAXJO-QGZVFWFLSA-N 1 3 340.406 2.576 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001592747657 1094184819 /nfs/dbraw/zinc/18/48/19/1094184819.db2.gz XSEIEBVIPKROCW-DEYYWGMASA-N 1 3 340.475 2.599 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001592747657 1094184822 /nfs/dbraw/zinc/18/48/22/1094184822.db2.gz XSEIEBVIPKROCW-DEYYWGMASA-N 1 3 340.475 2.599 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1c1ccccc1 ZINC001211615920 1094310412 /nfs/dbraw/zinc/31/04/12/1094310412.db2.gz MUYBFLVHLSIMNI-XUVXKRRUSA-N 1 3 343.515 2.711 20 0 EFADHO c1cc(-c2nnn[n-]2)cc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC001593563684 1094369661 /nfs/dbraw/zinc/36/96/61/1094369661.db2.gz CQQPORIUNCRFPS-GOSISDBHSA-N 1 3 340.475 2.710 20 0 EFADHO c1cc(-c2nn[n-]n2)cc2c1CC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC001593563684 1094369667 /nfs/dbraw/zinc/36/96/67/1094369667.db2.gz CQQPORIUNCRFPS-GOSISDBHSA-N 1 3 340.475 2.710 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1 ZINC001211625723 1094461088 /nfs/dbraw/zinc/46/10/88/1094461088.db2.gz TYUQFVFONFGUNT-ZWKOTPCHSA-N 1 3 349.494 2.661 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)C1CCC1 ZINC001481096500 1094475002 /nfs/dbraw/zinc/47/50/02/1094475002.db2.gz VQTLJTFRQOJUCP-MBNRZODZSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)C1CCC1 ZINC001481096500 1094475006 /nfs/dbraw/zinc/47/50/06/1094475006.db2.gz VQTLJTFRQOJUCP-MBNRZODZSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096493 1094475115 /nfs/dbraw/zinc/47/51/15/1094475115.db2.gz VJRJCDBNYVVPOT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096493 1094475121 /nfs/dbraw/zinc/47/51/21/1094475121.db2.gz VJRJCDBNYVVPOT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1 ZINC001211627302 1094570580 /nfs/dbraw/zinc/57/05/80/1094570580.db2.gz CPSOJJIYVXLKCW-ZWKOTPCHSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001104676539 1094589226 /nfs/dbraw/zinc/58/92/26/1094589226.db2.gz ORIGVMHVOVZLAO-JFIYKMOQSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104676394 1094589262 /nfs/dbraw/zinc/58/92/62/1094589262.db2.gz ICXFTDNHDSYIMO-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104676339 1094590315 /nfs/dbraw/zinc/59/03/15/1094590315.db2.gz FVMQMYOZVHPCDJ-KZNAEPCWSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001104676693 1094591733 /nfs/dbraw/zinc/59/17/33/1094591733.db2.gz UKZHXYSBEMTJEX-ZIFCJYIRSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccccc3)C2)C1 ZINC001104678824 1094600943 /nfs/dbraw/zinc/60/09/43/1094600943.db2.gz CQNVOLXEQIYNPW-QWFCFKBJSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001104679105 1094601454 /nfs/dbraw/zinc/60/14/54/1094601454.db2.gz GJISYZAZIPNADZ-LZLYRXPVSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683572 1094629164 /nfs/dbraw/zinc/62/91/64/1094629164.db2.gz MCGYCTWRBGCSLL-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[NH2+]CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1 ZINC001104683321 1094629463 /nfs/dbraw/zinc/62/94/63/1094629463.db2.gz KFIBMGMWGGZWGE-JWHDQAAXSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]C/C=C\Cl ZINC001104683161 1094629906 /nfs/dbraw/zinc/62/99/06/1094629906.db2.gz HLBHUXACNOYGIY-AJKQWTFCSA-N 1 3 343.943 2.791 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](C/C=C\Cl)C2)c1 ZINC001481461867 1094701623 /nfs/dbraw/zinc/70/16/23/1094701623.db2.gz KBCUWSYDUUAGMG-VCELZJIISA-N 1 3 349.906 2.943 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](C/C=C\Cl)C2)c1 ZINC001481461867 1094701630 /nfs/dbraw/zinc/70/16/30/1094701630.db2.gz KBCUWSYDUUAGMG-VCELZJIISA-N 1 3 349.906 2.943 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CCC[NH+]2CCCC2)c(C)c1 ZINC001480949975 1094747183 /nfs/dbraw/zinc/74/71/83/1094747183.db2.gz CGRVXSNBXQPNAS-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529523 1094748840 /nfs/dbraw/zinc/74/88/40/1094748840.db2.gz DJCRNQWUVSCNNG-HBFSDRIKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728880 1094763323 /nfs/dbraw/zinc/76/33/23/1094763323.db2.gz FVJAPORNWTZMAO-BRWVUGGUSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001104729392 1094764286 /nfs/dbraw/zinc/76/42/86/1094764286.db2.gz VFSLRDJBEJRSEK-SJLPKXTDSA-N 1 3 346.519 2.997 20 0 EFADHO CCC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728843 1094764421 /nfs/dbraw/zinc/76/44/21/1094764421.db2.gz CPYCLTBCCVPRPN-SDKBWNRFSA-N 1 3 332.492 2.773 20 0 EFADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529993 1094773074 /nfs/dbraw/zinc/77/30/74/1094773074.db2.gz YKQCGNIEQKVMPT-BJLQDIEVSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104732090 1094781862 /nfs/dbraw/zinc/78/18/62/1094781862.db2.gz NJCFRWJRXNGHBI-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001211691095 1094787387 /nfs/dbraw/zinc/78/73/87/1094787387.db2.gz UYSJFRMBXONPEG-VQTJNVASSA-N 1 3 343.515 2.713 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC001481147982 1094977321 /nfs/dbraw/zinc/97/73/21/1094977321.db2.gz SBUYKJJHSOWVEL-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC001481147982 1094977333 /nfs/dbraw/zinc/97/73/33/1094977333.db2.gz SBUYKJJHSOWVEL-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@H+](C)CCCF)C2)c1 ZINC001481508082 1094996769 /nfs/dbraw/zinc/99/67/69/1094996769.db2.gz HYZOFAZGYARWJH-QGZVFWFLSA-N 1 3 335.467 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[N@@H+](C)CCCF)C2)c1 ZINC001481508082 1094996781 /nfs/dbraw/zinc/99/67/81/1094996781.db2.gz HYZOFAZGYARWJH-QGZVFWFLSA-N 1 3 335.467 2.502 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001167814629 1095094463 /nfs/dbraw/zinc/09/44/63/1095094463.db2.gz AGKCNALZYIONBL-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001167814803 1095097717 /nfs/dbraw/zinc/09/77/17/1095097717.db2.gz FFZFAYPSHQKAOK-QGZVFWFLSA-N 1 3 325.541 2.887 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2CC)CC1 ZINC001167814833 1095098085 /nfs/dbraw/zinc/09/80/85/1095098085.db2.gz GLYRBMLHGQTLEN-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001167814817 1095098297 /nfs/dbraw/zinc/09/82/97/1095098297.db2.gz FXIPLMNHPLEZKF-YFHOEESVSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C2CC2)cc1 ZINC001481169745 1095108653 /nfs/dbraw/zinc/10/86/53/1095108653.db2.gz XFUMVGWUXOKPOK-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C2CC2)cc1 ZINC001481169745 1095108660 /nfs/dbraw/zinc/10/86/60/1095108660.db2.gz XFUMVGWUXOKPOK-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO CCc1ccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001481173229 1095122816 /nfs/dbraw/zinc/12/28/16/1095122816.db2.gz MTNSQSSQJLWMHL-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001481173229 1095122825 /nfs/dbraw/zinc/12/28/25/1095122825.db2.gz MTNSQSSQJLWMHL-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(Cl)ccc1CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001481197254 1095263031 /nfs/dbraw/zinc/26/30/31/1095263031.db2.gz WHZJSMYLUSLHKS-INIZCTEOSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cc(Cl)ccc1CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481197254 1095263041 /nfs/dbraw/zinc/26/30/41/1095263041.db2.gz WHZJSMYLUSLHKS-INIZCTEOSA-N 1 3 349.906 2.681 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316511 1095289597 /nfs/dbraw/zinc/28/95/97/1095289597.db2.gz SQJQQNIWKWRWBT-OLMNPRSZSA-N 1 3 332.492 2.666 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3nc[nH]c3C)C(C)(C)[C@H]21 ZINC001087316511 1095289613 /nfs/dbraw/zinc/28/96/13/1095289613.db2.gz SQJQQNIWKWRWBT-OLMNPRSZSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC(C)C)[C@H]2C1(C)C ZINC001087316681 1095299171 /nfs/dbraw/zinc/29/91/71/1095299171.db2.gz WFPUPCANAIVDSL-BMGDILEWSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC(C)C)[C@H]2C1(C)C ZINC001087316681 1095299181 /nfs/dbraw/zinc/29/91/81/1095299181.db2.gz WFPUPCANAIVDSL-BMGDILEWSA-N 1 3 332.492 2.522 20 0 EFADHO CC[NH+](CC)Cc1cc(NCCN2CCSCC2)ccc1OC ZINC001167838534 1095338291 /nfs/dbraw/zinc/33/82/91/1095338291.db2.gz FNRLBZSTJGROQO-UHFFFAOYSA-N 1 3 337.533 2.998 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000981958944 1095788768 /nfs/dbraw/zinc/78/87/68/1095788768.db2.gz JETKFJUZRPLFCB-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000981958944 1095788781 /nfs/dbraw/zinc/78/87/81/1095788781.db2.gz JETKFJUZRPLFCB-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000981960734 1095820516 /nfs/dbraw/zinc/82/05/16/1095820516.db2.gz XRSIXGYQZYILRN-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000981960734 1095820540 /nfs/dbraw/zinc/82/05/40/1095820540.db2.gz XRSIXGYQZYILRN-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211702961 1095833022 /nfs/dbraw/zinc/83/30/22/1095833022.db2.gz NAXXEUQICWLKOE-UXTUSRMKSA-N 1 3 349.906 2.665 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211702961 1095833046 /nfs/dbraw/zinc/83/30/46/1095833046.db2.gz NAXXEUQICWLKOE-UXTUSRMKSA-N 1 3 349.906 2.665 20 0 EFADHO NCc1nn(-c2ccc([C@]34CC[NH2+][C@H]3COCC4)cc2)c2ccccc12 ZINC001167698100 1095998078 /nfs/dbraw/zinc/99/80/78/1095998078.db2.gz UFZJREMWEKFTPO-LEWJYISDSA-N 1 3 348.450 2.504 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981991350 1096003761 /nfs/dbraw/zinc/00/37/61/1096003761.db2.gz DVVSAJPDBGSQDX-GOSISDBHSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981991350 1096003773 /nfs/dbraw/zinc/00/37/73/1096003773.db2.gz DVVSAJPDBGSQDX-GOSISDBHSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)NCC1C[NH+](Cc2ccccc2C(C)C)C1)N(C)C ZINC001481630563 1096013262 /nfs/dbraw/zinc/01/32/62/1096013262.db2.gz LKFPUVWJPQSRKG-LJQANCHMSA-N 1 3 331.504 2.698 20 0 EFADHO Cc1c(Cl)nc(-c2ccccc2)nc1NC(=N)NCCCC[NH3+] ZINC001167880317 1096144531 /nfs/dbraw/zinc/14/45/31/1096144531.db2.gz HRZKDDBFHCEOCS-UHFFFAOYSA-N 1 3 332.839 2.781 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001481689825 1096312837 /nfs/dbraw/zinc/31/28/37/1096312837.db2.gz DVGJDJONYDWQME-IHPCNDPISA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001481689825 1096312843 /nfs/dbraw/zinc/31/28/43/1096312843.db2.gz DVGJDJONYDWQME-IHPCNDPISA-N 1 3 343.515 2.841 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001481692199 1096318613 /nfs/dbraw/zinc/31/86/13/1096318613.db2.gz AEIHEBQJNBVOSX-FQEVSTJZSA-N 1 3 339.483 2.872 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001268405123 1096510995 /nfs/dbraw/zinc/51/09/95/1096510995.db2.gz PZYGJJDZOWBSCY-ZFWWWQNUSA-N 1 3 333.467 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603656756 1096580111 /nfs/dbraw/zinc/58/01/11/1096580111.db2.gz JACFYHWPFPSHMP-GFCCVEGCSA-N 1 3 344.438 2.531 20 0 EFADHO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603658665 1096582409 /nfs/dbraw/zinc/58/24/09/1096582409.db2.gz WIMPDMOVZKSAEB-AWEZNQCLSA-N 1 3 340.475 2.639 20 0 EFADHO C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603658665 1096582417 /nfs/dbraw/zinc/58/24/17/1096582417.db2.gz WIMPDMOVZKSAEB-AWEZNQCLSA-N 1 3 340.475 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604055820 1096713785 /nfs/dbraw/zinc/71/37/85/1096713785.db2.gz ORIKPIJLUZDIJD-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604055820 1096713789 /nfs/dbraw/zinc/71/37/89/1096713789.db2.gz ORIKPIJLUZDIJD-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1C ZINC001481819602 1096742529 /nfs/dbraw/zinc/74/25/29/1096742529.db2.gz ZESSNITZZYSXMC-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccccc1Cl ZINC001481821691 1096746797 /nfs/dbraw/zinc/74/67/97/1096746797.db2.gz RXFUJCNSXCLSFK-WBVHZDCISA-N 1 3 339.911 2.911 20 0 EFADHO CC[NH+](Cc1cc(C[N@@H+](CC)C2CC2)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001604320387 1096807690 /nfs/dbraw/zinc/80/76/90/1096807690.db2.gz XGKQBJPSDKUBHQ-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO CC[NH+](Cc1cc(C[N@H+](CC)C2CC2)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001604320387 1096807697 /nfs/dbraw/zinc/80/76/97/1096807697.db2.gz XGKQBJPSDKUBHQ-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO CC[NH+](Cc1cc(C[N@@H+](CC)C2CC2)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001604320387 1096807704 /nfs/dbraw/zinc/80/77/04/1096807704.db2.gz XGKQBJPSDKUBHQ-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO CC[NH+](Cc1cc(C[N@H+](CC)C2CC2)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001604320387 1096807710 /nfs/dbraw/zinc/80/77/10/1096807710.db2.gz XGKQBJPSDKUBHQ-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482102399 1097262639 /nfs/dbraw/zinc/26/26/39/1097262639.db2.gz SHIBHVBWWOKOON-KXBFYZLASA-N 1 3 349.494 2.849 20 0 EFADHO CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001268589877 1097310154 /nfs/dbraw/zinc/31/01/54/1097310154.db2.gz ZLBBURJKAQNRIA-ILWWCXPUSA-N 1 3 343.515 2.912 20 0 EFADHO [NH3+]Cc1ccc(C[NH2+][C@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001606439743 1097401904 /nfs/dbraw/zinc/40/19/04/1097401904.db2.gz FCIFAWMYUHTNSM-IBGZPJMESA-N 1 3 348.454 2.883 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCCC2)c1 ZINC001482221500 1098162234 /nfs/dbraw/zinc/16/22/34/1098162234.db2.gz LGEXRZSQXRSROV-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]CC=C(Cl)Cl)CCCC1)N(C)C ZINC001269575523 1098261706 /nfs/dbraw/zinc/26/17/06/1098261706.db2.gz FTBCSRCQNWFBJH-LBPRGKRZSA-N 1 3 336.307 2.664 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CC3)CCCC2)c1 ZINC001482238960 1098385495 /nfs/dbraw/zinc/38/54/95/1098385495.db2.gz ZTLWGQOGKSZPOZ-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001104809534 1098636962 /nfs/dbraw/zinc/63/69/62/1098636962.db2.gz KDGYYEUCKDTXBX-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832478 1098715534 /nfs/dbraw/zinc/71/55/34/1098715534.db2.gz CMOUSOSDFACQID-KZNAEPCWSA-N 1 3 341.515 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104832596 1098715909 /nfs/dbraw/zinc/71/59/09/1098715909.db2.gz JQLJWOKGIUWVLB-UYAOXDASSA-N 1 3 349.563 2.983 20 0 EFADHO O=c1ccc2c([nH]1)CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167962242 1098866149 /nfs/dbraw/zinc/86/61/49/1098866149.db2.gz VRTNHWUPHTZLHB-OOKSDGMUSA-N 1 3 327.472 2.640 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267835 1098906979 /nfs/dbraw/zinc/90/69/79/1098906979.db2.gz UQEAVAFRVCRMAO-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001101267835 1098906984 /nfs/dbraw/zinc/90/69/84/1098906984.db2.gz UQEAVAFRVCRMAO-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](NCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001481287789 1098971456 /nfs/dbraw/zinc/97/14/56/1098971456.db2.gz NVDDUEFWHFOEEN-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001482293083 1099151813 /nfs/dbraw/zinc/15/18/13/1099151813.db2.gz VAVASJPOJGISHL-LBPRGKRZSA-N 1 3 343.924 2.822 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683970 1099278110 /nfs/dbraw/zinc/27/81/10/1099278110.db2.gz QVTLOJJNRKUXNH-ROUUACIJSA-N 1 3 337.508 2.994 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683970 1099278116 /nfs/dbraw/zinc/27/81/16/1099278116.db2.gz QVTLOJJNRKUXNH-ROUUACIJSA-N 1 3 337.508 2.994 20 0 EFADHO NCc1ccc2c(n1)N(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CCC2 ZINC001167968280 1099292928 /nfs/dbraw/zinc/29/29/28/1099292928.db2.gz OQGJMWCSXKVSGI-DFNIBXOVSA-N 1 3 326.488 2.698 20 0 EFADHO NCc1ccc2c(n1)N(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CCC2 ZINC001167968280 1099292936 /nfs/dbraw/zinc/29/29/36/1099292936.db2.gz OQGJMWCSXKVSGI-DFNIBXOVSA-N 1 3 326.488 2.698 20 0 EFADHO O=C(C1CCC1)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167973840 1099354839 /nfs/dbraw/zinc/35/48/39/1099354839.db2.gz OTLCKRJKKIXBMJ-IHWFROFDSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001481342242 1099382960 /nfs/dbraw/zinc/38/29/60/1099382960.db2.gz NIMUWDRPYWMJQX-INIZCTEOSA-N 1 3 325.541 2.837 20 0 EFADHO CCC[NH2+]CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001105064031 1099532895 /nfs/dbraw/zinc/53/28/95/1099532895.db2.gz RWEHOCSMIASNFD-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001105067322 1099541800 /nfs/dbraw/zinc/54/18/00/1099541800.db2.gz WYPBJIDMNRTXDE-CXJHLMTNSA-N 1 3 341.927 2.688 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067238 1099542319 /nfs/dbraw/zinc/54/23/19/1099542319.db2.gz SUNZIZHLWLCSPZ-SJLPKXTDSA-N 1 3 325.541 2.837 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001482336033 1099664104 /nfs/dbraw/zinc/66/41/04/1099664104.db2.gz SBFJRMXTQHHIPE-OAHLLOKOSA-N 1 3 328.460 2.541 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535910 1099673218 /nfs/dbraw/zinc/67/32/18/1099673218.db2.gz HMEMAEDQFCGUOC-YKTDSXCKSA-N 1 3 330.476 2.527 20 0 EFADHO CC(C)(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535905 1099673288 /nfs/dbraw/zinc/67/32/88/1099673288.db2.gz HHARNZAXZPOASO-JXFKEZNVSA-N 1 3 346.519 2.997 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535913 1099673517 /nfs/dbraw/zinc/67/35/17/1099673517.db2.gz HPLLUXRHHAZQKL-XQDXJYKWSA-N 1 3 344.503 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001203437100 1099680586 /nfs/dbraw/zinc/68/05/86/1099680586.db2.gz AFHITWFUOVJHLL-YFHOEESVSA-N 1 3 329.488 2.622 20 0 EFADHO C[N@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCCF)C1)CC(C)(C)C ZINC001211676894 1099782536 /nfs/dbraw/zinc/78/25/36/1099782536.db2.gz VKRWBWOIPSIVHW-ZWKOTPCHSA-N 1 3 349.494 2.518 20 0 EFADHO C[N@@H+](CC(=O)N1C[C@@H](c2ccccc2)[C@H](NCCF)C1)CC(C)(C)C ZINC001211676894 1099782542 /nfs/dbraw/zinc/78/25/42/1099782542.db2.gz VKRWBWOIPSIVHW-ZWKOTPCHSA-N 1 3 349.494 2.518 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211676552 1099789815 /nfs/dbraw/zinc/78/98/15/1099789815.db2.gz MWHQTAJFJXNICB-RBUKOAKNSA-N 1 3 345.531 2.959 20 0 EFADHO CC(=O)N1CC[C@H]([N@@H+](C(C)C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168004714 1100074635 /nfs/dbraw/zinc/07/46/35/1100074635.db2.gz XZINPDRDFXOFQF-COHPWVSRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@H]([N@H+](C(C)C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168004714 1100074642 /nfs/dbraw/zinc/07/46/42/1100074642.db2.gz XZINPDRDFXOFQF-COHPWVSRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@H](N(C(C)C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168004714 1100074645 /nfs/dbraw/zinc/07/46/45/1100074645.db2.gz XZINPDRDFXOFQF-COHPWVSRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@H](N(C(C)C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168004714 1100074653 /nfs/dbraw/zinc/07/46/53/1100074653.db2.gz XZINPDRDFXOFQF-COHPWVSRSA-N 1 3 333.520 2.723 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC001482433385 1100194010 /nfs/dbraw/zinc/19/40/10/1100194010.db2.gz KNKBPWIXAFCLIT-QUCCMNQESA-N 1 3 345.531 2.706 20 0 EFADHO C[N@@H+]1CCCC2(CCN(C(=O)[C@@H]3CCN3C3CCCCC3)CC2)C1 ZINC001270916353 1100262993 /nfs/dbraw/zinc/26/29/93/1100262993.db2.gz RDCZZIJTYISOGH-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCCC2(CCN(C(=O)[C@@H]3CCN3C3CCCCC3)CC2)C1 ZINC001270916353 1100263000 /nfs/dbraw/zinc/26/30/00/1100263000.db2.gz RDCZZIJTYISOGH-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO Fc1ccc(N2CCN(CC3CC[NH2+]CC3)CC2)c(F)c1Cl ZINC001204763125 1100517193 /nfs/dbraw/zinc/51/71/93/1100517193.db2.gz GYUNVSVHERFLDH-UHFFFAOYSA-N 1 3 329.822 2.740 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1Cc1ccsc1 ZINC001087574745 1100545981 /nfs/dbraw/zinc/54/59/81/1100545981.db2.gz VMPLRGGOUGGPFC-FGTMMUONSA-N 1 3 347.528 2.559 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396021 1100572488 /nfs/dbraw/zinc/57/24/88/1100572488.db2.gz HEWGTDXLAZUYTQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396021 1100572493 /nfs/dbraw/zinc/57/24/93/1100572493.db2.gz HEWGTDXLAZUYTQ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001087602569 1100581232 /nfs/dbraw/zinc/58/12/32/1100581232.db2.gz UWCROPRKIAOWIC-OTWHNJEPSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CC1CC1 ZINC001087602569 1100581236 /nfs/dbraw/zinc/58/12/36/1100581236.db2.gz UWCROPRKIAOWIC-OTWHNJEPSA-N 1 3 333.520 2.773 20 0 EFADHO C[NH+](C)C1(C(=O)NCc2ccc(Nc3ccncc3)cc2)CCCC1 ZINC001634192143 1100590507 /nfs/dbraw/zinc/59/05/07/1100590507.db2.gz BYBNRASKBXYPQD-UHFFFAOYSA-N 1 3 338.455 2.738 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CCC1 ZINC001087636245 1100618140 /nfs/dbraw/zinc/61/81/40/1100618140.db2.gz HOANPXSZALMMJN-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@H+]1CC1CCC1 ZINC001087636245 1100618143 /nfs/dbraw/zinc/61/81/43/1100618143.db2.gz HOANPXSZALMMJN-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC(C)C ZINC001087672445 1100647444 /nfs/dbraw/zinc/64/74/44/1100647444.db2.gz TYZFGVFSIHGYNY-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCC(C)C ZINC001087672445 1100647447 /nfs/dbraw/zinc/64/74/47/1100647447.db2.gz TYZFGVFSIHGYNY-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087705130 1100682575 /nfs/dbraw/zinc/68/25/75/1100682575.db2.gz YHBVLSGSLJZASG-OWCLPIDISA-N 1 3 339.455 2.672 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087705130 1100682578 /nfs/dbraw/zinc/68/25/78/1100682578.db2.gz YHBVLSGSLJZASG-OWCLPIDISA-N 1 3 339.455 2.672 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCCF ZINC001087723278 1100700830 /nfs/dbraw/zinc/70/08/30/1100700830.db2.gz JRCPQSZKYBEJJE-HDMKZQKVSA-N 1 3 345.478 2.528 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCCF ZINC001087723278 1100700835 /nfs/dbraw/zinc/70/08/35/1100700835.db2.gz JRCPQSZKYBEJJE-HDMKZQKVSA-N 1 3 345.478 2.528 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC001087750217 1100728414 /nfs/dbraw/zinc/72/84/14/1100728414.db2.gz YRWFCDSKJAABHT-ZWKOTPCHSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001087828046 1100830129 /nfs/dbraw/zinc/83/01/29/1100830129.db2.gz XSURUFMLXALCBK-KBIWLGBNSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001087828046 1100830133 /nfs/dbraw/zinc/83/01/33/1100830133.db2.gz XSURUFMLXALCBK-KBIWLGBNSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001087828045 1100831010 /nfs/dbraw/zinc/83/10/10/1100831010.db2.gz XSURUFMLXALCBK-BABRIHKRSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001087828045 1100831018 /nfs/dbraw/zinc/83/10/18/1100831018.db2.gz XSURUFMLXALCBK-BABRIHKRSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC(C)C ZINC001087839868 1100854085 /nfs/dbraw/zinc/85/40/85/1100854085.db2.gz XPHVACVMTSDDTR-RBUKOAKNSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC(C)C ZINC001087839868 1100854092 /nfs/dbraw/zinc/85/40/92/1100854092.db2.gz XPHVACVMTSDDTR-RBUKOAKNSA-N 1 3 331.504 2.987 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1)C1CC1 ZINC001087993320 1101166776 /nfs/dbraw/zinc/16/67/76/1101166776.db2.gz KFDSHRAPPRHJIV-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1)C1CC1 ZINC001087993320 1101166783 /nfs/dbraw/zinc/16/67/83/1101166783.db2.gz KFDSHRAPPRHJIV-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CC1 ZINC001087993397 1101167267 /nfs/dbraw/zinc/16/72/67/1101167267.db2.gz MVDFVQVDTHDQQD-CEXWTWQISA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CC1 ZINC001087993397 1101167270 /nfs/dbraw/zinc/16/72/70/1101167270.db2.gz MVDFVQVDTHDQQD-CEXWTWQISA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088003035 1101178842 /nfs/dbraw/zinc/17/88/42/1101178842.db2.gz FZVXHIUFLJVKFJ-AABGKKOBSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088003035 1101178848 /nfs/dbraw/zinc/17/88/48/1101178848.db2.gz FZVXHIUFLJVKFJ-AABGKKOBSA-N 1 3 347.547 2.853 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)C12CC[NH+](CC1)CC2 ZINC001271290434 1101342380 /nfs/dbraw/zinc/34/23/80/1101342380.db2.gz NIWXXIVDRIWDLN-QRVBRYPASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167385937 1101393466 /nfs/dbraw/zinc/39/34/66/1101393466.db2.gz ZMBMCAXWQTXSKK-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208606230 1101400174 /nfs/dbraw/zinc/40/01/74/1101400174.db2.gz FKOQGDUSJDHHRL-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208606230 1101400179 /nfs/dbraw/zinc/40/01/79/1101400179.db2.gz FKOQGDUSJDHHRL-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608333 1101400908 /nfs/dbraw/zinc/40/09/08/1101400908.db2.gz HFRYLVYLURPNGI-NHCUHLMSSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608333 1101400911 /nfs/dbraw/zinc/40/09/11/1101400911.db2.gz HFRYLVYLURPNGI-NHCUHLMSSA-N 1 3 327.516 2.926 20 0 EFADHO CN(C)[C@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCCC1)C1CC1 ZINC001115573189 1101467772 /nfs/dbraw/zinc/46/77/72/1101467772.db2.gz MFXAVGAOWWHURN-AWEZNQCLSA-N 1 3 349.441 2.688 20 0 EFADHO CCCOc1cc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)ccc1OC ZINC000067671509 1101550666 /nfs/dbraw/zinc/55/06/66/1101550666.db2.gz JWCPYLXERWCRBT-KRWDZBQOSA-N 1 3 349.519 2.600 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(OC)ccc3ccccc32)CC1 ZINC000067671662 1101552130 /nfs/dbraw/zinc/55/21/30/1101552130.db2.gz JQGFNYHMZUYKSD-KRWDZBQOSA-N 1 3 341.499 2.964 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106981 1101560992 /nfs/dbraw/zinc/56/09/92/1101560992.db2.gz AAVNMUBJONXJLU-MSOLQXFVSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088106981 1101561001 /nfs/dbraw/zinc/56/10/01/1101561001.db2.gz AAVNMUBJONXJLU-MSOLQXFVSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCC4)CC[C@@H]3C2)C1 ZINC001088106494 1101561076 /nfs/dbraw/zinc/56/10/76/1101561076.db2.gz DISUGGNEKRPBQT-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCC4)CC[C@@H]3C2)C1 ZINC001088106494 1101561088 /nfs/dbraw/zinc/56/10/88/1101561088.db2.gz DISUGGNEKRPBQT-SXLOBPIMSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088130150 1101625429 /nfs/dbraw/zinc/62/54/29/1101625429.db2.gz YLYZXBLOYXKKAM-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]2C1 ZINC001088130150 1101625434 /nfs/dbraw/zinc/62/54/34/1101625434.db2.gz YLYZXBLOYXKKAM-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000069645091 1101722477 /nfs/dbraw/zinc/72/24/77/1101722477.db2.gz JVTLNACTYGDUCG-UHFFFAOYSA-N 1 3 344.455 2.934 20 0 EFADHO COc1cc(CNCc2ccc(OCC[NH+](C)C)cc2)cc(OC)c1 ZINC000069711365 1101729528 /nfs/dbraw/zinc/72/95/28/1101729528.db2.gz GQVQPTUSHAAPRV-UHFFFAOYSA-N 1 3 344.455 2.934 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210735 1101882696 /nfs/dbraw/zinc/88/26/96/1101882696.db2.gz YRBOEWMWECQZTG-MOPGFXCFSA-N 1 3 329.488 2.552 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210735 1101882713 /nfs/dbraw/zinc/88/27/13/1101882713.db2.gz YRBOEWMWECQZTG-MOPGFXCFSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001088212563 1101903181 /nfs/dbraw/zinc/90/31/81/1101903181.db2.gz ZEYOLWZYUVJZLA-AEFFLSMTSA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001088212563 1101903188 /nfs/dbraw/zinc/90/31/88/1101903188.db2.gz ZEYOLWZYUVJZLA-AEFFLSMTSA-N 1 3 347.478 2.502 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2)CC(C)(C)C ZINC001203425265 1101962501 /nfs/dbraw/zinc/96/25/01/1101962501.db2.gz BCZGZEVJVYOFPJ-XDHNQJSPSA-N 1 3 341.927 2.734 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C[NH2+]CC1CC1 ZINC001075366288 1101973613 /nfs/dbraw/zinc/97/36/13/1101973613.db2.gz BQFGSEYOKMZIIT-WMZOPIPTSA-N 1 3 343.515 2.846 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1)N(C)C ZINC001104348237 1101995176 /nfs/dbraw/zinc/99/51/76/1101995176.db2.gz BIIHARPWVCYLND-BRWVUGGUSA-N 1 3 329.504 2.541 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348249 1101995357 /nfs/dbraw/zinc/99/53/57/1101995357.db2.gz BOJKAPMSGUKYQK-KBAYOESNSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001104348405 1101995539 /nfs/dbraw/zinc/99/55/39/1101995539.db2.gz FPEAACIPAMNVTG-BHIYHBOVSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001104348244 1101995931 /nfs/dbraw/zinc/99/59/31/1101995931.db2.gz BMSCYQCVIPKEMB-KBAYOESNSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001104348592 1101997574 /nfs/dbraw/zinc/99/75/74/1101997574.db2.gz KAWOFKGJATXXMP-SZVBFZGTSA-N 1 3 349.494 2.740 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001209835536 1102049645 /nfs/dbraw/zinc/04/96/45/1102049645.db2.gz CIUPNQJGIWNALX-CHHNCHTKSA-N 1 3 338.455 2.636 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC001271521483 1102060752 /nfs/dbraw/zinc/06/07/52/1102060752.db2.gz VQWQYLYPCVWKLX-MKXGPGLRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001271521483 1102060766 /nfs/dbraw/zinc/06/07/66/1102060766.db2.gz VQWQYLYPCVWKLX-MKXGPGLRSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC001167224165 1102078555 /nfs/dbraw/zinc/07/85/55/1102078555.db2.gz FUQYCRDHSINWAA-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001167224426 1102081415 /nfs/dbraw/zinc/08/14/15/1102081415.db2.gz JOBMASIZFIADQU-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001271538281 1102083297 /nfs/dbraw/zinc/08/32/97/1102083297.db2.gz UVGUHHSQLYUUOG-FQEVSTJZSA-N 1 3 346.519 2.561 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001271538281 1102083309 /nfs/dbraw/zinc/08/33/09/1102083309.db2.gz UVGUHHSQLYUUOG-FQEVSTJZSA-N 1 3 346.519 2.561 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001271537977 1102083560 /nfs/dbraw/zinc/08/35/60/1102083560.db2.gz OJQJTBAWLXAMQQ-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001271537977 1102083573 /nfs/dbraw/zinc/08/35/73/1102083573.db2.gz OJQJTBAWLXAMQQ-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001167232426 1102097909 /nfs/dbraw/zinc/09/79/09/1102097909.db2.gz CDFDSUOVNLCPID-KRWDZBQOSA-N 1 3 335.536 2.785 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC001167232710 1102098408 /nfs/dbraw/zinc/09/84/08/1102098408.db2.gz NLQGASMNPCQVJZ-MSOLQXFVSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001167232712 1102098620 /nfs/dbraw/zinc/09/86/20/1102098620.db2.gz NLQGASMNPCQVJZ-ROUUACIJSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001167232505 1102099604 /nfs/dbraw/zinc/09/96/04/1102099604.db2.gz FPSHDYJFIGXJGU-INIZCTEOSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232888 1102100580 /nfs/dbraw/zinc/10/05/80/1102100580.db2.gz SZKDFMIUKRYICS-QGZVFWFLSA-N 1 3 343.515 2.713 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC001167260804 1102184953 /nfs/dbraw/zinc/18/49/53/1102184953.db2.gz KRLREDXWWYYAEK-OALUTQOASA-N 1 3 343.515 2.890 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)C2)C1 ZINC001104362936 1102213780 /nfs/dbraw/zinc/21/37/80/1102213780.db2.gz QFBZIEFHXXMHKG-GPQLOAJWSA-N 1 3 337.552 2.837 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CCc2ccccc2F)CC1 ZINC001167480458 1102297685 /nfs/dbraw/zinc/29/76/85/1102297685.db2.gz GLHTTYVEDGHMEC-UHFFFAOYSA-N 1 3 349.494 2.586 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000073664141 1102410985 /nfs/dbraw/zinc/41/09/85/1102410985.db2.gz GBTNGQADXGXANF-KRWDZBQOSA-N 1 3 329.488 2.594 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)N1CCCC1 ZINC001112506796 1102436930 /nfs/dbraw/zinc/43/69/30/1102436930.db2.gz GGFTUDZHHWWJGL-RXVVDRJESA-N 1 3 347.547 2.879 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287337 1102581774 /nfs/dbraw/zinc/58/17/74/1102581774.db2.gz CUAQEOBDIBPOTE-XXCOWLKOSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287962 1102592915 /nfs/dbraw/zinc/59/29/15/1102592915.db2.gz NXNMFAUWOZSZHK-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001087175189 1102617313 /nfs/dbraw/zinc/61/73/13/1102617313.db2.gz AHPAQHFTLLEKJU-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001087181195 1102709719 /nfs/dbraw/zinc/70/97/19/1102709719.db2.gz FXZBTBINRNNGQP-HHXXYDBFSA-N 1 3 349.494 2.883 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(F)cc3)c2)CC1 ZINC000076400214 1102730750 /nfs/dbraw/zinc/73/07/50/1102730750.db2.gz MNLXKQKECVPSDR-UHFFFAOYSA-N 1 3 327.447 2.863 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480905659 1102778038 /nfs/dbraw/zinc/77/80/38/1102778038.db2.gz XNDLDIHEPUZGHM-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000970800789 1102786539 /nfs/dbraw/zinc/78/65/39/1102786539.db2.gz VEEOWHIKVSXKBB-MOPGFXCFSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104291277 1102855286 /nfs/dbraw/zinc/85/52/86/1102855286.db2.gz KVYCKXFUDCNIKU-NSISKUIASA-N 1 3 347.547 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCCCF ZINC001104292172 1102860973 /nfs/dbraw/zinc/86/09/73/1102860973.db2.gz MYORUTZLSBIBEJ-NXHRZFHOSA-N 1 3 341.515 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCCCF ZINC001104292171 1102861179 /nfs/dbraw/zinc/86/11/79/1102861179.db2.gz MYORUTZLSBIBEJ-KBAYOESNSA-N 1 3 341.515 2.541 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001210811704 1102886783 /nfs/dbraw/zinc/88/67/83/1102886783.db2.gz PVOZIXHEDZZXIB-SFHVURJKSA-N 1 3 342.487 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001210811751 1102887498 /nfs/dbraw/zinc/88/74/98/1102887498.db2.gz QMLOZXADLFUAOP-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088326132 1102927799 /nfs/dbraw/zinc/92/77/99/1102927799.db2.gz IANCHYSQOXOIJD-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088326132 1102927805 /nfs/dbraw/zinc/92/78/05/1102927805.db2.gz IANCHYSQOXOIJD-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC001088325909 1102928547 /nfs/dbraw/zinc/92/85/47/1102928547.db2.gz BMCGUAJZAYVXKV-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001088326481 1102929201 /nfs/dbraw/zinc/92/92/01/1102929201.db2.gz QACOULRXKLXLRV-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001088326482 1102929797 /nfs/dbraw/zinc/92/97/97/1102929797.db2.gz QACOULRXKLXLRV-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001088327299 1102932930 /nfs/dbraw/zinc/93/29/30/1102932930.db2.gz JXRHLPIAMZAJHH-MSOLQXFVSA-N 1 3 349.544 2.949 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001088327686 1102934672 /nfs/dbraw/zinc/93/46/72/1102934672.db2.gz UGPZECJHXXWPOI-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001482536202 1102957901 /nfs/dbraw/zinc/95/79/01/1102957901.db2.gz NRUBOWARWCOXJS-MSOLQXFVSA-N 1 3 337.483 2.642 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ncccc2C)C1)N(C)C ZINC001088334439 1102987572 /nfs/dbraw/zinc/98/75/72/1102987572.db2.gz ICKXXBLXYQMMNU-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260538 1103177372 /nfs/dbraw/zinc/17/73/72/1103177372.db2.gz KIVIISZJRMYKAU-KBPBESRZSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168372017 1103220327 /nfs/dbraw/zinc/22/03/27/1103220327.db2.gz RRJWHUAQSMBMSL-RYQLBKOJSA-N 1 3 349.519 2.706 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(F)(F)F ZINC001482553375 1103252970 /nfs/dbraw/zinc/25/29/70/1103252970.db2.gz LMOGQGCWLHIZGO-ZDUSSCGKSA-N 1 3 339.446 2.647 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381362 1103333881 /nfs/dbraw/zinc/33/38/81/1103333881.db2.gz CLIYEQKCUZPOIM-VQIMIIECSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088381383 1103333948 /nfs/dbraw/zinc/33/39/48/1103333948.db2.gz CZSVPPBNVRUHLM-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO COc1ccc(CCN(C[C@H](C)O)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001168373351 1103397948 /nfs/dbraw/zinc/39/79/48/1103397948.db2.gz PJRDLFUVETVMSF-KRWDZBQOSA-N 1 3 346.515 2.795 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@@H](NCCF)C2)cc1 ZINC001088399059 1103424620 /nfs/dbraw/zinc/42/46/20/1103424620.db2.gz AHJGZAUWFUIOEH-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c(C)s1 ZINC001409486352 1103424577 /nfs/dbraw/zinc/42/45/77/1103424577.db2.gz QQUASHGORIUPLJ-UHFFFAOYSA-N 1 3 348.516 2.905 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088411662 1103488366 /nfs/dbraw/zinc/48/83/66/1103488366.db2.gz MVSNUYAYBWNNGU-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088411662 1103488374 /nfs/dbraw/zinc/48/83/74/1103488374.db2.gz MVSNUYAYBWNNGU-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088430443 1103579164 /nfs/dbraw/zinc/57/91/64/1103579164.db2.gz QDPAKMNLVXQUJF-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001483235373 1103727170 /nfs/dbraw/zinc/72/71/70/1103727170.db2.gz NLXHVKYPQBXAHX-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001105427419 1103751425 /nfs/dbraw/zinc/75/14/25/1103751425.db2.gz LKIIGAXQBGODRA-PUZFROQSSA-N 1 3 343.515 2.685 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001105427451 1103752893 /nfs/dbraw/zinc/75/28/93/1103752893.db2.gz MQGZOYQTNFQCLL-IRFCIJBXSA-N 1 3 343.515 2.543 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001105428857 1103957950 /nfs/dbraw/zinc/95/79/50/1103957950.db2.gz DKQHZOPNOZTACV-RVWIWJKTSA-N 1 3 345.531 2.933 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066756 1103965581 /nfs/dbraw/zinc/96/55/81/1103965581.db2.gz SBQMBIYWTQMFPK-GOSISDBHSA-N 1 3 347.503 2.552 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066756 1103965587 /nfs/dbraw/zinc/96/55/87/1103965587.db2.gz SBQMBIYWTQMFPK-GOSISDBHSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001483567857 1103966502 /nfs/dbraw/zinc/96/65/02/1103966502.db2.gz UKHSJLQGVXRENW-SJORKVTESA-N 1 3 337.533 2.627 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@@](C[NH2+]CC2CC2)(c2ccccc2)C1)N(C)C ZINC001105429237 1103990078 /nfs/dbraw/zinc/99/00/78/1103990078.db2.gz RROIEHTWLHBEAN-SBHAEUEKSA-N 1 3 343.515 2.543 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001100901698 1104030786 /nfs/dbraw/zinc/03/07/86/1104030786.db2.gz JSHQTSVPEWEJSH-UHFFFAOYSA-N 1 3 337.430 2.545 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001100901851 1104033426 /nfs/dbraw/zinc/03/34/26/1104033426.db2.gz RDJUAJYKNLVIFM-FHERZECASA-N 1 3 345.478 2.638 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](CC)N(C)C)C1 ZINC001105438297 1104096849 /nfs/dbraw/zinc/09/68/49/1104096849.db2.gz CLXCBCMYIMPEQE-CMKODMSKSA-N 1 3 331.504 2.543 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100904737 1104102454 /nfs/dbraw/zinc/10/24/54/1104102454.db2.gz DVHMNVHYDBRSJW-UHFFFAOYSA-N 1 3 331.504 2.630 20 0 EFADHO c1csc(CN2C[C@@H]3C[N@H+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)c1 ZINC001168377310 1104102569 /nfs/dbraw/zinc/10/25/69/1104102569.db2.gz BYNOOGXJWKSOEJ-HDICACEKSA-N 1 3 345.556 2.986 20 0 EFADHO c1csc(CN2C[C@@H]3C[N@@H+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)c1 ZINC001168377310 1104102575 /nfs/dbraw/zinc/10/25/75/1104102575.db2.gz BYNOOGXJWKSOEJ-HDICACEKSA-N 1 3 345.556 2.986 20 0 EFADHO CN([C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1CC[NH+](CC2CC2)CC1 ZINC001168395264 1104200208 /nfs/dbraw/zinc/20/02/08/1104200208.db2.gz SOXISFAWDBAOBD-PIIMJCKOSA-N 1 3 349.519 2.658 20 0 EFADHO CC[C@H](C(=O)N1CCC(C(C)(C)C[NH2+]CC[C@H](C)F)CC1)N(C)C ZINC001101550602 1104234438 /nfs/dbraw/zinc/23/44/38/1104234438.db2.gz QJQMKTRWIFRPBP-DOTOQJQBSA-N 1 3 343.531 2.929 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622143 1104673200 /nfs/dbraw/zinc/67/32/00/1104673200.db2.gz FTURDWWJPUDIAZ-OAHLLOKOSA-N 1 3 335.467 2.619 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000897527748 1104979861 /nfs/dbraw/zinc/97/98/61/1104979861.db2.gz TXEUIUCDDSIKSI-GOSISDBHSA-N 1 3 335.492 2.535 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000897527749 1104980232 /nfs/dbraw/zinc/98/02/32/1104980232.db2.gz TXEUIUCDDSIKSI-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001482890618 1105148768 /nfs/dbraw/zinc/14/87/68/1105148768.db2.gz MLYHXBWUROZMQM-SJKOYZFVSA-N 1 3 344.434 2.572 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001482963725 1105256107 /nfs/dbraw/zinc/25/61/07/1105256107.db2.gz PAXQLEKXULFSGR-MRXNPFEDSA-N 1 3 343.874 2.757 20 0 EFADHO COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)c(OC(F)F)c1 ZINC000261995768 1105283686 /nfs/dbraw/zinc/28/36/86/1105283686.db2.gz KSBMGQSWBZXJFF-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H](C(C)C)N(C)C ZINC001668459306 1105302103 /nfs/dbraw/zinc/30/21/03/1105302103.db2.gz GNUAHURAMCKQSR-SFHVURJKSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988956012 1105399536 /nfs/dbraw/zinc/39/95/36/1105399536.db2.gz NOEWXTVKDZGOJP-MJGOQNOKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957942 1105401567 /nfs/dbraw/zinc/40/15/67/1105401567.db2.gz GNUUHJLTMTWFEE-MAUKXSAKSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988958304 1105402303 /nfs/dbraw/zinc/40/23/03/1105402303.db2.gz JHXKJJAACMUHIB-PKOBYXMFSA-N 1 3 343.515 2.867 20 0 EFADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001668976974 1105409663 /nfs/dbraw/zinc/40/96/63/1105409663.db2.gz DAMRVEJVDPLXLR-ZOXCZHJPSA-N 1 3 341.499 2.810 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088620342 1105442170 /nfs/dbraw/zinc/44/21/70/1105442170.db2.gz GGXNOPYRRAJMKN-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001088620342 1105442175 /nfs/dbraw/zinc/44/21/75/1105442175.db2.gz GGXNOPYRRAJMKN-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001030019540 1105568972 /nfs/dbraw/zinc/56/89/72/1105568972.db2.gz WAMZDBJABIWCAJ-ZOCIIQOWSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001030019533 1105569295 /nfs/dbraw/zinc/56/92/95/1105569295.db2.gz RUBLSPLRWNPOOB-RVKKMQEKSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001030019520 1105569344 /nfs/dbraw/zinc/56/93/44/1105569344.db2.gz IPEQFSMTGCGSIF-HRCADAONSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCc2ccc(C)cc2)C1)N(C)C ZINC001671752474 1105695683 /nfs/dbraw/zinc/69/56/83/1105695683.db2.gz IPRSDXHOPYBKPV-CTNGQTDRSA-N 1 3 345.531 2.706 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389093 1105839820 /nfs/dbraw/zinc/83/98/20/1105839820.db2.gz IAXCOBRFIKKGSN-PBHICJAKSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000989392098 1105847212 /nfs/dbraw/zinc/84/72/12/1105847212.db2.gz TZICQMWHJQHEIH-CRAIPNDOSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1)N(C)C ZINC001105544130 1105903033 /nfs/dbraw/zinc/90/30/33/1105903033.db2.gz BNUFSGMSEHVDPN-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563045 1105942521 /nfs/dbraw/zinc/94/25/21/1105942521.db2.gz BNKAOSSANCKFBP-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(C(=O)NCC[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000925317427 1106020553 /nfs/dbraw/zinc/02/05/53/1106020553.db2.gz LMKUNJCFHZQLPX-UHFFFAOYSA-N 1 3 347.503 2.525 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000897661287 1106040998 /nfs/dbraw/zinc/04/09/98/1106040998.db2.gz WGFOLKNZJHVUEN-IBGZPJMESA-N 1 3 347.503 2.679 20 0 EFADHO CCN(C(=O)[C@H](NC(C)C)c1ccc(OC)cc1)C1CC[NH+](C)CC1 ZINC000897897443 1106136463 /nfs/dbraw/zinc/13/64/63/1106136463.db2.gz UYAWSDIZRPXCPD-LJQANCHMSA-N 1 3 347.503 2.677 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001674440914 1106191130 /nfs/dbraw/zinc/19/11/30/1106191130.db2.gz OOWFPQQDMGTXCQ-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1=CCCCC1 ZINC001674440914 1106191134 /nfs/dbraw/zinc/19/11/34/1106191134.db2.gz OOWFPQQDMGTXCQ-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116322 1106235645 /nfs/dbraw/zinc/23/56/45/1106235645.db2.gz OSRGUCWJRLYFOL-NEWSRXKRSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116322 1106235650 /nfs/dbraw/zinc/23/56/50/1106235650.db2.gz OSRGUCWJRLYFOL-NEWSRXKRSA-N 1 3 336.520 2.957 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989456618 1106270475 /nfs/dbraw/zinc/27/04/75/1106270475.db2.gz ASYTXQMJJZXIPL-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989456618 1106270478 /nfs/dbraw/zinc/27/04/78/1106270478.db2.gz ASYTXQMJJZXIPL-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1CCC[C@H]([NH+]2CCC(NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000089546833 1106302434 /nfs/dbraw/zinc/30/24/34/1106302434.db2.gz ZLMVMQIFGGMVIP-JXFKEZNVSA-N 1 3 343.515 2.961 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC=C(Cl)Cl)CC2)CC1 ZINC000898306639 1106315757 /nfs/dbraw/zinc/31/57/57/1106315757.db2.gz CMKRPRDVPYFQPU-UHFFFAOYSA-N 1 3 348.318 2.618 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c(C)c1 ZINC000989480417 1106357046 /nfs/dbraw/zinc/35/70/46/1106357046.db2.gz HXJMBAZJLVHIID-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC000989480417 1106357050 /nfs/dbraw/zinc/35/70/50/1106357050.db2.gz HXJMBAZJLVHIID-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1C(=O)Cc1c[nH]cn1 ZINC000989490980 1106365090 /nfs/dbraw/zinc/36/50/90/1106365090.db2.gz BVINFWKLXWPLOE-HNAYVOBHSA-N 1 3 348.450 2.885 20 0 EFADHO CC[C@@H](c1ccccc1)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989493253 1106367873 /nfs/dbraw/zinc/36/78/73/1106367873.db2.gz XFOPMQXBTDAJIW-IBGZPJMESA-N 1 3 341.499 2.768 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989524867 1106402709 /nfs/dbraw/zinc/40/27/09/1106402709.db2.gz ZJVOWFQLMSBJMK-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[NH+](C)C1CCC(NCN2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001168305144 1106470294 /nfs/dbraw/zinc/47/02/94/1106470294.db2.gz JALKTZDCXLZUJO-JCYILVPMSA-N 1 3 339.524 2.603 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606840 1106482993 /nfs/dbraw/zinc/48/29/93/1106482993.db2.gz VVXJYZQEOLIURT-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241624 1106491937 /nfs/dbraw/zinc/49/19/37/1106491937.db2.gz QDHWCIPRZJSYBW-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241624 1106491941 /nfs/dbraw/zinc/49/19/41/1106491941.db2.gz QDHWCIPRZJSYBW-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H](NCc3ccsc3)C[C@H]2C)CC1 ZINC000989634861 1106498365 /nfs/dbraw/zinc/49/83/65/1106498365.db2.gz JEOMIFVYJXVGHH-CRAIPNDOSA-N 1 3 349.544 2.948 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989665440 1106526105 /nfs/dbraw/zinc/52/61/05/1106526105.db2.gz FIKUTTQGEDCNNC-PKOBYXMFSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989665440 1106526107 /nfs/dbraw/zinc/52/61/07/1106526107.db2.gz FIKUTTQGEDCNNC-PKOBYXMFSA-N 1 3 329.488 2.542 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001088692934 1106549684 /nfs/dbraw/zinc/54/96/84/1106549684.db2.gz DVHVYMDACNGCDA-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001088692934 1106549689 /nfs/dbraw/zinc/54/96/89/1106549689.db2.gz DVHVYMDACNGCDA-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCCN(CC2=CCCCC2)CC1 ZINC000989732116 1106596176 /nfs/dbraw/zinc/59/61/76/1106596176.db2.gz CPFPZZJVFAXISK-UHFFFAOYSA-N 1 3 333.520 2.897 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000989728108 1106601341 /nfs/dbraw/zinc/60/13/41/1106601341.db2.gz BDXFXEHEQURXGD-IAGOWNOFSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000989728584 1106601768 /nfs/dbraw/zinc/60/17/68/1106601768.db2.gz ORODIRVNTKKRIL-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000989728584 1106601770 /nfs/dbraw/zinc/60/17/70/1106601770.db2.gz ORODIRVNTKKRIL-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000989728910 1106602110 /nfs/dbraw/zinc/60/21/10/1106602110.db2.gz ZDQBOGWTUKEMRR-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000989728910 1106602114 /nfs/dbraw/zinc/60/21/14/1106602114.db2.gz ZDQBOGWTUKEMRR-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737685 1106615457 /nfs/dbraw/zinc/61/54/57/1106615457.db2.gz WBXTXLURCONDSQ-INIZCTEOSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@H](F)CC[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737685 1106615461 /nfs/dbraw/zinc/61/54/61/1106615461.db2.gz WBXTXLURCONDSQ-INIZCTEOSA-N 1 3 335.467 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)[NH+]1CCCCC1 ZINC000989738429 1106616446 /nfs/dbraw/zinc/61/64/46/1106616446.db2.gz AXQTUBJVGWWXRB-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)CN1CCCC1 ZINC000989801248 1106657579 /nfs/dbraw/zinc/65/75/79/1106657579.db2.gz ZWSMGCWUGXAGIS-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)CN1CCCC1 ZINC000989801247 1106658037 /nfs/dbraw/zinc/65/80/37/1106658037.db2.gz ZWSMGCWUGXAGIS-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)CN1C(=O)CN1CCCC1 ZINC000989796188 1106666300 /nfs/dbraw/zinc/66/63/00/1106666300.db2.gz INQUQJJLSIICJM-QWHCGFSZSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000989796530 1106667495 /nfs/dbraw/zinc/66/74/95/1106667495.db2.gz NKNTXWSCQMFAPP-MOPGFXCFSA-N 1 3 343.515 2.787 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799605 1106670059 /nfs/dbraw/zinc/67/00/59/1106670059.db2.gz NIQHJDNQDUPHMS-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798763 1106670109 /nfs/dbraw/zinc/67/01/09/1106670109.db2.gz FOZTZNGANFSOBC-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000989798951 1106670186 /nfs/dbraw/zinc/67/01/86/1106670186.db2.gz HZFMSPPSANVFGK-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798535 1106670198 /nfs/dbraw/zinc/67/01/98/1106670198.db2.gz AZPVNLCKRAILEX-YJBOKZPZSA-N 1 3 349.906 2.557 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799601 1106670217 /nfs/dbraw/zinc/67/02/17/1106670217.db2.gz NIQHJDNQDUPHMS-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001168321138 1106706868 /nfs/dbraw/zinc/70/68/68/1106706868.db2.gz YSFSDHKRZFQJLD-JXMROGBWSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001168320624 1106714062 /nfs/dbraw/zinc/71/40/62/1106714062.db2.gz HFNWMNOQVQISOM-UHFFFAOYSA-N 1 3 329.488 2.648 20 0 EFADHO Fc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001168416170 1106847158 /nfs/dbraw/zinc/84/71/58/1106847158.db2.gz HACSUHSRIHDERV-UFYCRDLUSA-N 1 3 332.463 2.916 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168326829 1106876121 /nfs/dbraw/zinc/87/61/21/1106876121.db2.gz NAGYGJHVSBJSDU-KRWDZBQOSA-N 1 3 349.494 2.986 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001168327165 1106884225 /nfs/dbraw/zinc/88/42/25/1106884225.db2.gz UVBUTYRWEMAWHL-VZUCSPMQSA-N 1 3 349.906 2.990 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089037402 1107333223 /nfs/dbraw/zinc/33/32/23/1107333223.db2.gz CLDBSPNRHWYVSA-UXPWSPDFSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089037402 1107333239 /nfs/dbraw/zinc/33/32/39/1107333239.db2.gz CLDBSPNRHWYVSA-UXPWSPDFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060373 1107376115 /nfs/dbraw/zinc/37/61/15/1107376115.db2.gz IDNLZEPHQUZNNW-FCEWJHQRSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060373 1107376129 /nfs/dbraw/zinc/37/61/29/1107376129.db2.gz IDNLZEPHQUZNNW-FCEWJHQRSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001168345716 1107388899 /nfs/dbraw/zinc/38/88/99/1107388899.db2.gz SKHISBLSPAGQRH-IBGZPJMESA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990244986 1107554531 /nfs/dbraw/zinc/55/45/31/1107554531.db2.gz SQEIPFXCCVCDLQ-KSSFIOAISA-N 1 3 333.451 2.562 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000990245851 1107555008 /nfs/dbraw/zinc/55/50/08/1107555008.db2.gz ZJNIRGIZRZDNDU-GOSISDBHSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000990244995 1107555100 /nfs/dbraw/zinc/55/51/00/1107555100.db2.gz SVDFABOJVSNBLG-CQSZACIVSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000990279126 1107590118 /nfs/dbraw/zinc/59/01/18/1107590118.db2.gz VWMZBKTVFVSWBY-LPHOPBHVSA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001089136468 1107598735 /nfs/dbraw/zinc/59/87/35/1107598735.db2.gz KPADFYZIHSKQEE-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001089136468 1107598741 /nfs/dbraw/zinc/59/87/41/1107598741.db2.gz KPADFYZIHSKQEE-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1)C1CCC1 ZINC001089186917 1107886188 /nfs/dbraw/zinc/88/61/88/1107886188.db2.gz QMETWEFVTYWDMA-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1)C1CCC1 ZINC001089186917 1107886202 /nfs/dbraw/zinc/88/62/02/1107886202.db2.gz QMETWEFVTYWDMA-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099130837 1107907667 /nfs/dbraw/zinc/90/76/67/1107907667.db2.gz SWBONUJIKVWZMX-MRXNPFEDSA-N 1 3 325.541 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(C)C ZINC001099130837 1107907677 /nfs/dbraw/zinc/90/76/77/1107907677.db2.gz SWBONUJIKVWZMX-MRXNPFEDSA-N 1 3 325.541 2.980 20 0 EFADHO CCOc1cccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000904459261 1107955904 /nfs/dbraw/zinc/95/59/04/1107955904.db2.gz QFOIMIHRJMDVGX-UHFFFAOYSA-N 1 3 325.456 2.973 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391119 1108056418 /nfs/dbraw/zinc/05/64/18/1108056418.db2.gz NWTQLGCQLRYODZ-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391119 1108056430 /nfs/dbraw/zinc/05/64/30/1108056430.db2.gz NWTQLGCQLRYODZ-OAQYLSRUSA-N 1 3 347.547 2.999 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001089226215 1108080064 /nfs/dbraw/zinc/08/00/64/1108080064.db2.gz VKHQIEKZGPAMDO-OALUTQOASA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001089226215 1108080075 /nfs/dbraw/zinc/08/00/75/1108080075.db2.gz VKHQIEKZGPAMDO-OALUTQOASA-N 1 3 349.494 2.979 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCCC2)C1 ZINC001089225824 1108081165 /nfs/dbraw/zinc/08/11/65/1108081165.db2.gz AMFOJDZXZCJAEJ-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCCC2)C1 ZINC001089225824 1108081179 /nfs/dbraw/zinc/08/11/79/1108081179.db2.gz AMFOJDZXZCJAEJ-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089227002 1108088355 /nfs/dbraw/zinc/08/83/55/1108088355.db2.gz OCLQFLOIHQANQO-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089227002 1108088369 /nfs/dbraw/zinc/08/83/69/1108088369.db2.gz OCLQFLOIHQANQO-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168357479 1108134044 /nfs/dbraw/zinc/13/40/44/1108134044.db2.gz BKGALGVAZIWQAQ-HXUWFJFHSA-N 1 3 341.499 2.755 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272412300 1108212714 /nfs/dbraw/zinc/21/27/14/1108212714.db2.gz AAZGTWVQYWJWSI-CTNGQTDRSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272412300 1108212724 /nfs/dbraw/zinc/21/27/24/1108212724.db2.gz AAZGTWVQYWJWSI-CTNGQTDRSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001272416223 1108234597 /nfs/dbraw/zinc/23/45/97/1108234597.db2.gz YCJDBIIYVJQKOQ-QUCCMNQESA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001272416223 1108234606 /nfs/dbraw/zinc/23/46/06/1108234606.db2.gz YCJDBIIYVJQKOQ-QUCCMNQESA-N 1 3 335.536 2.997 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089256725 1108247326 /nfs/dbraw/zinc/24/73/26/1108247326.db2.gz AJCHJZJQRAYYTN-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089256725 1108247333 /nfs/dbraw/zinc/24/73/33/1108247333.db2.gz AJCHJZJQRAYYTN-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000904921395 1108273857 /nfs/dbraw/zinc/27/38/57/1108273857.db2.gz XLZYCAPZNCVINW-SFHVURJKSA-N 1 3 335.517 3.000 20 0 EFADHO CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393219 1108316868 /nfs/dbraw/zinc/31/68/68/1108316868.db2.gz AEPSVMCQLUOPIS-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001040393219 1108316882 /nfs/dbraw/zinc/31/68/82/1108316882.db2.gz AEPSVMCQLUOPIS-MOPGFXCFSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272466609 1108414780 /nfs/dbraw/zinc/41/47/80/1108414780.db2.gz INZBOULYNJZZNC-CTNGQTDRSA-N 1 3 343.515 2.666 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272466609 1108414786 /nfs/dbraw/zinc/41/47/86/1108414786.db2.gz INZBOULYNJZZNC-CTNGQTDRSA-N 1 3 343.515 2.666 20 0 EFADHO C[C@@H](CCNC[C@H](O)CC1(O)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000905149238 1108461455 /nfs/dbraw/zinc/46/14/55/1108461455.db2.gz ZASHVYCIRYLRJG-AZUAARDMSA-N 1 3 348.531 2.933 20 0 EFADHO C[C@@H](CCNC[C@H](O)CC1(O)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905149238 1108461461 /nfs/dbraw/zinc/46/14/61/1108461461.db2.gz ZASHVYCIRYLRJG-AZUAARDMSA-N 1 3 348.531 2.933 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256142 1108467184 /nfs/dbraw/zinc/46/71/84/1108467184.db2.gz MLVIWBRZAZGALF-IAGOWNOFSA-N 1 3 341.455 2.513 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256142 1108467188 /nfs/dbraw/zinc/46/71/88/1108467188.db2.gz MLVIWBRZAZGALF-IAGOWNOFSA-N 1 3 341.455 2.513 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001483733891 1108470231 /nfs/dbraw/zinc/47/02/31/1108470231.db2.gz IQVPPCHNHNRADK-SFHVURJKSA-N 1 3 329.488 2.606 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001483734357 1108494129 /nfs/dbraw/zinc/49/41/29/1108494129.db2.gz XBGCBSUTKZDUJB-IBGZPJMESA-N 1 3 343.515 2.860 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000905211188 1108520089 /nfs/dbraw/zinc/52/00/89/1108520089.db2.gz ZHAFHCKPUPQNIO-BMFAXAFESA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000905211188 1108520100 /nfs/dbraw/zinc/52/01/00/1108520100.db2.gz ZHAFHCKPUPQNIO-BMFAXAFESA-N 1 3 338.442 2.893 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCCC(F)(F)F)CC2)C1=O ZINC001272507426 1108582630 /nfs/dbraw/zinc/58/26/30/1108582630.db2.gz YTXGOBSKMIZXEQ-MRXNPFEDSA-N 1 3 349.441 2.595 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCCC(F)(F)F)CC2)C1=O ZINC001272507426 1108582642 /nfs/dbraw/zinc/58/26/42/1108582642.db2.gz YTXGOBSKMIZXEQ-MRXNPFEDSA-N 1 3 349.441 2.595 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001483740811 1108722903 /nfs/dbraw/zinc/72/29/03/1108722903.db2.gz SAEFAKNJLVEAJU-UHFFFAOYSA-N 1 3 349.906 2.871 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001075334698 1108780378 /nfs/dbraw/zinc/78/03/78/1108780378.db2.gz CEXSMCSEDWRYTC-NVXWUHKLSA-N 1 3 330.476 2.527 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC001075336258 1108784218 /nfs/dbraw/zinc/78/42/18/1108784218.db2.gz ZYGPYKRGXKAKDG-FUHWJXTLSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@H]1COC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000924708210 1108788523 /nfs/dbraw/zinc/78/85/23/1108788523.db2.gz XUAAQDKSFWTNTF-SFTDATJTSA-N 1 3 345.531 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001030020886 1108840034 /nfs/dbraw/zinc/84/00/34/1108840034.db2.gz HKZANTRSLOZFNO-YSIASYRMSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)[C@H]2C)c1 ZINC001088791423 1108853667 /nfs/dbraw/zinc/85/36/67/1108853667.db2.gz ICIYLRNGHVBBRF-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)[C@H]2C)c1 ZINC001088791423 1108853672 /nfs/dbraw/zinc/85/36/72/1108853672.db2.gz ICIYLRNGHVBBRF-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000899134381 1109214237 /nfs/dbraw/zinc/21/42/37/1109214237.db2.gz KQSGZHUJBBJFJN-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000899134381 1109214239 /nfs/dbraw/zinc/21/42/39/1109214239.db2.gz KQSGZHUJBBJFJN-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000899556613 1109388090 /nfs/dbraw/zinc/38/80/90/1109388090.db2.gz FFAWVLLZULNASV-LJQANCHMSA-N 1 3 339.499 2.676 20 0 EFADHO CC1(C)CC(NC[C@@H](O)CCOCc2ccccc2)CC(C)(C)[NH2+]1 ZINC000899856909 1109524869 /nfs/dbraw/zinc/52/48/69/1109524869.db2.gz YEAWHLVDMMJRNS-SFHVURJKSA-N 1 3 334.504 2.853 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244086 1109727372 /nfs/dbraw/zinc/72/73/72/1109727372.db2.gz LZACKENGROPUNH-FCEWJHQRSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001076244086 1109727376 /nfs/dbraw/zinc/72/73/76/1109727376.db2.gz LZACKENGROPUNH-FCEWJHQRSA-N 1 3 339.499 2.532 20 0 EFADHO CCOC(=O)[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC001168366545 1109727746 /nfs/dbraw/zinc/72/77/46/1109727746.db2.gz VLAXMPCGLGUJRQ-LJQANCHMSA-N 1 3 330.472 2.797 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324411 1109767686 /nfs/dbraw/zinc/76/76/86/1109767686.db2.gz RTHACADILONDAA-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324411 1109767690 /nfs/dbraw/zinc/76/76/90/1109767690.db2.gz RTHACADILONDAA-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001483197930 1109996747 /nfs/dbraw/zinc/99/67/47/1109996747.db2.gz ISTQDQPYWGUQLT-CYBMUJFWSA-N 1 3 339.430 2.501 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1C ZINC001088835936 1110056860 /nfs/dbraw/zinc/05/68/60/1110056860.db2.gz WMZIYOMIDGHGEB-XLIONFOSSA-N 1 3 343.515 2.724 20 0 EFADHO CN1CCC[C@H](C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000741250273 1111210977 /nfs/dbraw/zinc/21/09/77/1111210977.db2.gz IYGYBMKEBQRWAY-XJKSGUPXSA-N 1 3 341.293 2.756 20 0 EFADHO CN1CCC[C@H](C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000741250273 1111210981 /nfs/dbraw/zinc/21/09/81/1111210981.db2.gz IYGYBMKEBQRWAY-XJKSGUPXSA-N 1 3 341.293 2.756 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106250052 1111221602 /nfs/dbraw/zinc/22/16/02/1111221602.db2.gz XGRYMYONWKKVMM-VKZGZIDPSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106256096 1111234324 /nfs/dbraw/zinc/23/43/24/1111234324.db2.gz XXXHNQDUBCKPAR-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106282043 1111309419 /nfs/dbraw/zinc/30/94/19/1111309419.db2.gz QQPMWUDYQOBRDR-ZACQAIPSSA-N 1 3 325.541 2.693 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC2)N1CCCCC1 ZINC001127317064 1111347119 /nfs/dbraw/zinc/34/71/19/1111347119.db2.gz HOHMWIUJHBWAPL-UHFFFAOYSA-N 1 3 343.515 2.646 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1)N(C)C ZINC001106312409 1111399403 /nfs/dbraw/zinc/39/94/03/1111399403.db2.gz GBYMYJIGYGCMOJ-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CC1CCC(F)(F)CC1)N1CCCCC1 ZINC001127321702 1111412573 /nfs/dbraw/zinc/41/25/73/1111412573.db2.gz DDSCPQSTIKCCDZ-UHFFFAOYSA-N 1 3 345.478 2.782 20 0 EFADHO Cc1ccc(CC[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001127322203 1111412619 /nfs/dbraw/zinc/41/26/19/1111412619.db2.gz NUOISYPTRWAHNL-UHFFFAOYSA-N 1 3 331.504 2.508 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CCCCc1ccccc1)N1CCCCC1 ZINC001127322444 1111415984 /nfs/dbraw/zinc/41/59/84/1111415984.db2.gz PFQRGZHVANBTKN-UHFFFAOYSA-N 1 3 345.531 2.980 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1)N1CCCCC1 ZINC001127322802 1111422946 /nfs/dbraw/zinc/42/29/46/1111422946.db2.gz WLBZJALWEHRPAT-HNNXBMFYSA-N 1 3 345.478 2.782 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1)N1CCCCC1 ZINC001127322803 1111423028 /nfs/dbraw/zinc/42/30/28/1111423028.db2.gz WLBZJALWEHRPAT-OAHLLOKOSA-N 1 3 345.478 2.782 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344571 1111557814 /nfs/dbraw/zinc/55/78/14/1111557814.db2.gz NPIISUOCDWIYDX-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344571 1111557817 /nfs/dbraw/zinc/55/78/17/1111557817.db2.gz NPIISUOCDWIYDX-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356632 1111645723 /nfs/dbraw/zinc/64/57/23/1111645723.db2.gz KGSFEVXDUXVJCA-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(NCCNCc1ccc(F)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356632 1111645724 /nfs/dbraw/zinc/64/57/24/1111645724.db2.gz KGSFEVXDUXVJCA-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3=CCCCC3)[C@H](C)C2)C1 ZINC001106665994 1111708242 /nfs/dbraw/zinc/70/82/42/1111708242.db2.gz DMBHDAKMFRWTIW-NLWGTHIKSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106668150 1111711764 /nfs/dbraw/zinc/71/17/64/1111711764.db2.gz FJBBBUVRNAKABB-IAGOWNOFSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCCCCF ZINC001106668233 1111712024 /nfs/dbraw/zinc/71/20/24/1111712024.db2.gz ITQUSJLUVKSIEA-IAGOWNOFSA-N 1 3 341.515 2.542 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001106779507 1111823257 /nfs/dbraw/zinc/82/32/57/1111823257.db2.gz PQGMYSFRCFYKLO-RTBURBONSA-N 1 3 345.531 2.829 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001106783658 1111829689 /nfs/dbraw/zinc/82/96/89/1111829689.db2.gz ULRZNILBYHAHQA-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203522717 1111861138 /nfs/dbraw/zinc/86/11/38/1111861138.db2.gz OCVFMTAGVIDOBJ-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO C[NH+](C)CCN1CC2(CCC1=O)CCN(Cc1cccc(F)c1)CC2 ZINC001272652734 1111888930 /nfs/dbraw/zinc/88/89/30/1111888930.db2.gz BICDPJYGZRMOTR-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[NH+](C)CCN1CCC2(CCN(Cc3cccc(Cl)c3)CC2)C1=O ZINC001272659926 1111945755 /nfs/dbraw/zinc/94/57/55/1111945755.db2.gz HORSEHYCAGIVBV-UHFFFAOYSA-N 1 3 349.906 2.716 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089382059 1112043336 /nfs/dbraw/zinc/04/33/36/1112043336.db2.gz PKUCIFSAVQTZTR-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089382059 1112043339 /nfs/dbraw/zinc/04/33/39/1112043339.db2.gz PKUCIFSAVQTZTR-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426510 1112115691 /nfs/dbraw/zinc/11/56/91/1112115691.db2.gz IXLGVMVDTRWWQK-DLBZAZTESA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089426510 1112115693 /nfs/dbraw/zinc/11/56/93/1112115693.db2.gz IXLGVMVDTRWWQK-DLBZAZTESA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N1CCCC1 ZINC001089459331 1112175201 /nfs/dbraw/zinc/17/52/01/1112175201.db2.gz UCCLIGMAWOEXOF-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N1CCCC1 ZINC001089459331 1112175203 /nfs/dbraw/zinc/17/52/03/1112175203.db2.gz UCCLIGMAWOEXOF-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001089492419 1112226259 /nfs/dbraw/zinc/22/62/59/1112226259.db2.gz JRWNFZQYYWCUJQ-RTWZZBQXSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001089492419 1112226263 /nfs/dbraw/zinc/22/62/63/1112226263.db2.gz JRWNFZQYYWCUJQ-RTWZZBQXSA-N 1 3 341.927 2.830 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491500 1112226672 /nfs/dbraw/zinc/22/66/72/1112226672.db2.gz OCXIDBUQZLZRTK-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC(C)(C)C1 ZINC001089491500 1112226674 /nfs/dbraw/zinc/22/66/74/1112226674.db2.gz OCXIDBUQZLZRTK-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001089492417 1112226704 /nfs/dbraw/zinc/22/67/04/1112226704.db2.gz JRWNFZQYYWCUJQ-IDSJHHPBSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001089492417 1112226706 /nfs/dbraw/zinc/22/67/06/1112226706.db2.gz JRWNFZQYYWCUJQ-IDSJHHPBSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492609 1112227211 /nfs/dbraw/zinc/22/72/11/1112227211.db2.gz LLSBCFQIBRHRDO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492609 1112227212 /nfs/dbraw/zinc/22/72/12/1112227212.db2.gz LLSBCFQIBRHRDO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089510636 1112254641 /nfs/dbraw/zinc/25/46/41/1112254641.db2.gz ZGYUHFLKMUGTAH-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089536255 1112275628 /nfs/dbraw/zinc/27/56/28/1112275628.db2.gz AMWTYSBIISIECO-YFWHOBGESA-N 1 3 341.927 2.688 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089536255 1112275631 /nfs/dbraw/zinc/27/56/31/1112275631.db2.gz AMWTYSBIISIECO-YFWHOBGESA-N 1 3 341.927 2.688 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)CC(C)(C)C1 ZINC001089548388 1112292938 /nfs/dbraw/zinc/29/29/38/1112292938.db2.gz KKXVHYGGZLQCOL-INIZCTEOSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC(C)C)CC(C)(C)C1 ZINC001089548388 1112292941 /nfs/dbraw/zinc/29/29/41/1112292941.db2.gz KKXVHYGGZLQCOL-INIZCTEOSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089548626 1112293574 /nfs/dbraw/zinc/29/35/74/1112293574.db2.gz NMNYDVXHNMAOAW-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089548626 1112293578 /nfs/dbraw/zinc/29/35/78/1112293578.db2.gz NMNYDVXHNMAOAW-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031715334 1112416448 /nfs/dbraw/zinc/41/64/48/1112416448.db2.gz RPTLASGXCOBCED-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031715334 1112416452 /nfs/dbraw/zinc/41/64/52/1112416452.db2.gz RPTLASGXCOBCED-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641479 1112432153 /nfs/dbraw/zinc/43/21/53/1112432153.db2.gz NDTQSUJWWLVVPJ-OALUTQOASA-N 1 3 347.547 2.901 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089647825 1112443230 /nfs/dbraw/zinc/44/32/30/1112443230.db2.gz BBMFSPRGMYLPAV-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089647825 1112443233 /nfs/dbraw/zinc/44/32/33/1112443233.db2.gz BBMFSPRGMYLPAV-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC1 ZINC001483941758 1112582427 /nfs/dbraw/zinc/58/24/27/1112582427.db2.gz CQVSSHAKRMHRHU-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2cc(F)ccc2C)CC1 ZINC001483974025 1112615428 /nfs/dbraw/zinc/61/54/28/1112615428.db2.gz OPLGABTXSKZWPF-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2cc(F)ccc2C)CC1 ZINC001483974025 1112615430 /nfs/dbraw/zinc/61/54/30/1112615430.db2.gz OPLGABTXSKZWPF-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CCc2ccc(C)cc2)CC1 ZINC001483974713 1112616827 /nfs/dbraw/zinc/61/68/27/1112616827.db2.gz OTEVMAMFVHVUMW-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)C[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001484141646 1112828856 /nfs/dbraw/zinc/82/88/56/1112828856.db2.gz JAPZTASTGDCNHU-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106908115 1112894258 /nfs/dbraw/zinc/89/42/58/1112894258.db2.gz QVWLLECNFLDCNZ-ZIFCJYIRSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001484540553 1112995087 /nfs/dbraw/zinc/99/50/87/1112995087.db2.gz WJNYQWQZLWUULY-GJZGRUSLSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c(C)c1 ZINC001484637358 1113088881 /nfs/dbraw/zinc/08/88/81/1113088881.db2.gz AAZJCOJPDOTUFJ-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272694656 1117945106 /nfs/dbraw/zinc/94/51/06/1117945106.db2.gz BULYTJIUWAWCPB-DLBZAZTESA-N 1 3 341.499 2.584 20 0 EFADHO CCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](CC)N(C)C ZINC001485044306 1117963655 /nfs/dbraw/zinc/96/36/55/1117963655.db2.gz PDJCKUHPQKFGLY-CEXWTWQISA-N 1 3 331.504 2.889 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccc(C)cc1 ZINC001485076233 1118016730 /nfs/dbraw/zinc/01/67/30/1118016730.db2.gz RWOHJDQNKCZSGH-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccc(C)cc1 ZINC001485076233 1118016735 /nfs/dbraw/zinc/01/67/35/1118016735.db2.gz RWOHJDQNKCZSGH-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2F)C1 ZINC001485260990 1118180561 /nfs/dbraw/zinc/18/05/61/1118180561.db2.gz SOTYKVOVBXAXQQ-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccccc1C1CC1 ZINC001485313922 1118226085 /nfs/dbraw/zinc/22/60/85/1118226085.db2.gz PUWRVRCESLFOMW-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccccc1C1CC1 ZINC001485313922 1118226088 /nfs/dbraw/zinc/22/60/88/1118226088.db2.gz PUWRVRCESLFOMW-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844948 1118240300 /nfs/dbraw/zinc/24/03/00/1118240300.db2.gz CJZMOKGTASDPAT-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844948 1118240306 /nfs/dbraw/zinc/24/03/06/1118240306.db2.gz CJZMOKGTASDPAT-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001485324154 1118255380 /nfs/dbraw/zinc/25/53/80/1118255380.db2.gz DGIZTNGKGJYGBL-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(CF)cc1 ZINC001485325205 1118255900 /nfs/dbraw/zinc/25/59/00/1118255900.db2.gz UFKFFDNZUMKKKG-INIZCTEOSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)[C@@H]1CCc2c1cccc2F ZINC001485344566 1118264899 /nfs/dbraw/zinc/26/48/99/1118264899.db2.gz IQYVRSAWOYJXRU-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)CCC[NH+]2CCCC2)cc1F ZINC001485388534 1118330543 /nfs/dbraw/zinc/33/05/43/1118330543.db2.gz MMJVAOOFSQXYFX-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)C1 ZINC001485435732 1118348004 /nfs/dbraw/zinc/34/80/04/1118348004.db2.gz ZIIANHPUQBSJDG-DAWZGUTISA-N 1 3 337.552 2.980 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000995187871 1118755805 /nfs/dbraw/zinc/75/58/05/1118755805.db2.gz UMSUDMZJPGOBJP-ZWKOTPCHSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001032026477 1118944292 /nfs/dbraw/zinc/94/42/92/1118944292.db2.gz GGKVACIOJHSHGC-LJQANCHMSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]C/C=C\Cl ZINC001107029076 1119818680 /nfs/dbraw/zinc/81/86/80/1119818680.db2.gz LHPGTGFCZIKPNS-ZTNYTRGMSA-N 1 3 349.906 2.798 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128329 1119825294 /nfs/dbraw/zinc/82/52/94/1119825294.db2.gz AAGMUUDJIYUFQM-QUCCMNQESA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)c1 ZINC001032129092 1119838731 /nfs/dbraw/zinc/83/87/31/1119838731.db2.gz QGHNISDTFDHJRY-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001032129243 1119839159 /nfs/dbraw/zinc/83/91/59/1119839159.db2.gz ULUNTHONHDKVTH-MOPGFXCFSA-N 1 3 333.520 2.655 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034347 1119935734 /nfs/dbraw/zinc/93/57/34/1119935734.db2.gz WNVOJNQWOFCTEI-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185318872 1120005126 /nfs/dbraw/zinc/00/51/26/1120005126.db2.gz ZGPWPMDASPRHOS-CYBMUJFWSA-N 1 3 329.828 2.695 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036213 1120014760 /nfs/dbraw/zinc/01/47/60/1120014760.db2.gz IWCKHYWWQMEBPO-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036388 1120016230 /nfs/dbraw/zinc/01/62/30/1120016230.db2.gz KZVIKJGCTKCVJR-IOIJZZRGSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC000944443685 1120193714 /nfs/dbraw/zinc/19/37/14/1120193714.db2.gz HPRBXUWOZRMVCJ-CZUORRHYSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC000944443685 1120193717 /nfs/dbraw/zinc/19/37/17/1120193717.db2.gz HPRBXUWOZRMVCJ-CZUORRHYSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1C ZINC000944441804 1120193830 /nfs/dbraw/zinc/19/38/30/1120193830.db2.gz AOVPZGLFRZFEGB-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1C ZINC000944441804 1120193834 /nfs/dbraw/zinc/19/38/34/1120193834.db2.gz AOVPZGLFRZFEGB-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032205339 1120197334 /nfs/dbraw/zinc/19/73/34/1120197334.db2.gz VYEPPJNJQXRSEQ-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001032205981 1120199677 /nfs/dbraw/zinc/19/96/77/1120199677.db2.gz OENDLNOWZHALJT-UXHICEINSA-N 1 3 341.499 2.596 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001032206147 1120200588 /nfs/dbraw/zinc/20/05/88/1120200588.db2.gz SRFRMJQBUIWEKZ-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945094624 1120571979 /nfs/dbraw/zinc/57/19/79/1120571979.db2.gz WYMWVNRGNSHMQF-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945094624 1120571984 /nfs/dbraw/zinc/57/19/84/1120571984.db2.gz WYMWVNRGNSHMQF-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CN1CC[C@H]2[C@H](CCCN2C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000182478871 282083377 /nfs/dbraw/zinc/08/33/77/282083377.db2.gz OKIRAWCDIBDWKU-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)(C)C ZINC000433911198 282113385 /nfs/dbraw/zinc/11/33/85/282113385.db2.gz HLLVILBSMDAHEA-DLBZAZTESA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000079451571 282148805 /nfs/dbraw/zinc/14/88/05/282148805.db2.gz SIPIYMZQRHXRIT-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000372433674 282239744 /nfs/dbraw/zinc/23/97/44/282239744.db2.gz MYJASNFEZWLNRK-GOSISDBHSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000433959752 282242290 /nfs/dbraw/zinc/24/22/90/282242290.db2.gz VUUUQLBGJANXQS-RBUKOAKNSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000433959752 282242292 /nfs/dbraw/zinc/24/22/92/282242292.db2.gz VUUUQLBGJANXQS-RBUKOAKNSA-N 1 3 344.503 2.605 20 0 EFADHO O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377757523 295704372 /nfs/dbraw/zinc/70/43/72/295704372.db2.gz UZQWZWPFNRYFBE-ZCNNSNEGSA-N 1 3 341.499 2.575 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCCC1 ZINC000168709173 529954991 /nfs/dbraw/zinc/95/49/91/529954991.db2.gz FJYDGHMLEIKJPH-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCCC1 ZINC000168709173 529954992 /nfs/dbraw/zinc/95/49/92/529954992.db2.gz FJYDGHMLEIKJPH-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO CCC1(C)CCC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414202021 282342239 /nfs/dbraw/zinc/34/22/39/282342239.db2.gz TXDFBKYLMSSUJU-UHFFFAOYSA-N 1 3 337.552 2.732 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1 ZINC000178688864 232377837 /nfs/dbraw/zinc/37/78/37/232377837.db2.gz DWSFELMTIJMNDK-UHFFFAOYSA-N 1 3 337.467 2.582 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2nc3ccccc3n2C)C[C@H](C)O1 ZINC000066990652 215101459 /nfs/dbraw/zinc/10/14/59/215101459.db2.gz NJSRNCHHJUNWOG-HOTGVXAUSA-N 1 3 330.476 2.552 20 0 EFADHO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000422197783 299145403 /nfs/dbraw/zinc/14/54/03/299145403.db2.gz GMZGQAVLZVRVMA-GWFLUQINSA-N 1 3 346.519 2.850 20 0 EFADHO C[NH+](C)CCOc1cc(CN[C@@H]2CCc3cc(F)ccc32)ccn1 ZINC000179511600 233118391 /nfs/dbraw/zinc/11/83/91/233118391.db2.gz YCYGSLCQGRBMJV-GOSISDBHSA-N 1 3 329.419 2.938 20 0 EFADHO COc1ccc2c(c1)[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000179508973 233121560 /nfs/dbraw/zinc/12/15/60/233121560.db2.gz WTAKBFSSDFHZSY-IBGZPJMESA-N 1 3 341.455 2.808 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418663416 282732278 /nfs/dbraw/zinc/73/22/78/282732278.db2.gz WYMFXXAKFWFWOB-SFHVURJKSA-N 1 3 344.503 2.736 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416837692 295851665 /nfs/dbraw/zinc/85/16/65/295851665.db2.gz IHRHRBVIAQNXDQ-LSDHHAIUSA-N 1 3 338.521 2.702 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)[C@@H]2C1 ZINC000373827511 283067872 /nfs/dbraw/zinc/06/78/72/283067872.db2.gz WPKPOKAMOGMGOY-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)[C@@H]2C1 ZINC000373827511 283067876 /nfs/dbraw/zinc/06/78/76/283067876.db2.gz WPKPOKAMOGMGOY-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000195598985 295905265 /nfs/dbraw/zinc/90/52/65/295905265.db2.gz PPHTZQPERZULCL-ZIFCJYIRSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C)CCOc1cccc(CNC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000184222593 235338343 /nfs/dbraw/zinc/33/83/43/235338343.db2.gz OVNFCQJKQQSNMK-UHFFFAOYSA-N 1 3 347.503 2.543 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000037984609 202076082 /nfs/dbraw/zinc/07/60/82/202076082.db2.gz RVNQTRPYGNBCLL-SWLSCSKDSA-N 1 3 327.266 2.556 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000182677190 283211377 /nfs/dbraw/zinc/21/13/77/283211377.db2.gz LZIHHCIMHKDMIM-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000458302082 283211933 /nfs/dbraw/zinc/21/19/33/283211933.db2.gz XBTGZKZWCYLTSK-IBGZPJMESA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000360262194 283233143 /nfs/dbraw/zinc/23/31/43/283233143.db2.gz QMQCEEPKJPVIMP-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000360262195 283234014 /nfs/dbraw/zinc/23/40/14/283234014.db2.gz QMQCEEPKJPVIMP-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418695897 283253428 /nfs/dbraw/zinc/25/34/28/283253428.db2.gz MDKTXWRFDGWFSV-QGZVFWFLSA-N 1 3 326.529 2.802 20 0 EFADHO CN1c2ccc(CNCc3cccc(C[NH+](C)C)c3)cc2CCC1=O ZINC000187110569 236120762 /nfs/dbraw/zinc/12/07/62/236120762.db2.gz GMZYKDIBCOTIMN-UHFFFAOYSA-N 1 3 337.467 2.947 20 0 EFADHO COCCN(C)CCC[NH2+]Cc1cccc(Br)c1OC ZINC000187121099 236123527 /nfs/dbraw/zinc/12/35/27/236123527.db2.gz ISMUXCLXKPNAIM-UHFFFAOYSA-N 1 3 345.281 2.516 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000343136491 283352248 /nfs/dbraw/zinc/35/22/48/283352248.db2.gz ZPKLZARGNNTYJH-SBHAEUEKSA-N 1 3 345.531 2.770 20 0 EFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000298228180 202270278 /nfs/dbraw/zinc/27/02/78/202270278.db2.gz BBBSANDJDVYSTH-UHFFFAOYSA-N 1 3 334.464 2.507 20 0 EFADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000245384355 296015147 /nfs/dbraw/zinc/01/51/47/296015147.db2.gz VMLASNFIXONUQF-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000245384355 296015148 /nfs/dbraw/zinc/01/51/48/296015148.db2.gz VMLASNFIXONUQF-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423023973 299309515 /nfs/dbraw/zinc/30/95/15/299309515.db2.gz KZRCDJXXKBJERR-PLQHRBFRSA-N 1 3 325.859 2.669 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000361523265 296035714 /nfs/dbraw/zinc/03/57/14/296035714.db2.gz DMEPPKIEQNNFKG-MJGOQNOKSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000361523265 296035716 /nfs/dbraw/zinc/03/57/16/296035716.db2.gz DMEPPKIEQNNFKG-MJGOQNOKSA-N 1 3 333.520 2.728 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000236680419 201147215 /nfs/dbraw/zinc/14/72/15/201147215.db2.gz RHYDZYPNYLRYMB-GOSISDBHSA-N 1 3 331.504 2.922 20 0 EFADHO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237270099 201149112 /nfs/dbraw/zinc/14/91/12/201149112.db2.gz ITHRDLGKXJTWTA-HXUWFJFHSA-N 1 3 337.467 2.882 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1 ZINC000237972089 201151020 /nfs/dbraw/zinc/15/10/20/201151020.db2.gz ZUPWBDOYDYGYJB-HXUWFJFHSA-N 1 3 337.467 2.930 20 0 EFADHO [NH3+]C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237832586 201151058 /nfs/dbraw/zinc/15/10/58/201151058.db2.gz DWADYRGJLICMHO-PMACEKPBSA-N 1 3 337.467 2.510 20 0 EFADHO Cc1ncsc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069924304 201167759 /nfs/dbraw/zinc/16/77/59/201167759.db2.gz RUWAXMIZKAWWHX-HUUCEWRRSA-N 1 3 337.533 2.815 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCCCC1)CC(C)C ZINC000071925364 201172537 /nfs/dbraw/zinc/17/25/37/201172537.db2.gz WTJHJOGXTMAEOW-QGZVFWFLSA-N 1 3 326.529 2.528 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000261777391 201198383 /nfs/dbraw/zinc/19/83/83/201198383.db2.gz OYDFXHFBWPVKRC-GBESFXJTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261635323 201194427 /nfs/dbraw/zinc/19/44/27/201194427.db2.gz CDPUNKSCEBZTHY-LULLPPNCSA-N 1 3 329.488 2.531 20 0 EFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000268958092 201230031 /nfs/dbraw/zinc/23/00/31/201230031.db2.gz DWZTVDOXNSSWOI-HNNXBMFYSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000269264435 201231020 /nfs/dbraw/zinc/23/10/20/201231020.db2.gz OJXPIGIRHNAIJN-MJGOQNOKSA-N 1 3 331.504 2.922 20 0 EFADHO COc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000272494131 201251412 /nfs/dbraw/zinc/25/14/12/201251412.db2.gz UVYKKZJAYSYWOT-FQEVSTJZSA-N 1 3 340.467 2.831 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000272534440 201252246 /nfs/dbraw/zinc/25/22/46/201252246.db2.gz JOVSIQFYNJKAPZ-HZMVEIRTSA-N 1 3 342.405 2.800 20 0 EFADHO C[C@H](C[NH3+])C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000285695782 201332608 /nfs/dbraw/zinc/33/26/08/201332608.db2.gz BHWRNSQGZXYAQQ-GOSISDBHSA-N 1 3 339.483 2.790 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN(c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000298580431 201353210 /nfs/dbraw/zinc/35/32/10/201353210.db2.gz XTAZQYVXKDTHAQ-HNNXBMFYSA-N 1 3 348.491 2.943 20 0 EFADHO C[C@H]1CCN(C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000156056674 201399417 /nfs/dbraw/zinc/39/94/17/201399417.db2.gz RDHZDHVNLDPUJA-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418353203 296075032 /nfs/dbraw/zinc/07/50/32/296075032.db2.gz VQSVBEVGHCKRJG-AEFFLSMTSA-N 1 3 346.519 2.584 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000193874551 240343258 /nfs/dbraw/zinc/34/32/58/240343258.db2.gz BUVKBSLJQZOTCX-KNJMJIDISA-N 1 3 342.483 2.828 20 0 EFADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000431801929 296103057 /nfs/dbraw/zinc/10/30/57/296103057.db2.gz QNAHAQXJLUGCBP-LJQANCHMSA-N 1 3 333.520 2.870 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2cccs2)CC1 ZINC000236660697 242311463 /nfs/dbraw/zinc/31/14/63/242311463.db2.gz JWFJLHWEEZFYHA-BZUAXINKSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000236696700 242322744 /nfs/dbraw/zinc/32/27/44/242322744.db2.gz CRWVIGBTGBGNJD-HKUYNNGSSA-N 1 3 331.504 2.951 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@@H](N)c2ccccc2)c1 ZINC000236876484 242392648 /nfs/dbraw/zinc/39/26/48/242392648.db2.gz ZHGAWANLTGXYFQ-LJQANCHMSA-N 1 3 325.456 2.845 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](N)c2ccccc2)c1 ZINC000236876484 242392655 /nfs/dbraw/zinc/39/26/55/242392655.db2.gz ZHGAWANLTGXYFQ-LJQANCHMSA-N 1 3 325.456 2.845 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000236880104 242394780 /nfs/dbraw/zinc/39/47/80/242394780.db2.gz YGOAWRPTUKXSCR-JKSUJKDBSA-N 1 3 335.517 2.637 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000237198783 242523467 /nfs/dbraw/zinc/52/34/67/242523467.db2.gz IMJNGALYCUKGCJ-STQMWFEESA-N 1 3 339.867 2.736 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237729152 242772197 /nfs/dbraw/zinc/77/21/97/242772197.db2.gz UQWLBWTXBKPZLQ-UHFFFAOYSA-N 1 3 337.467 2.848 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CCCCCC[NH3+])CC1 ZINC000237727097 242772438 /nfs/dbraw/zinc/77/24/38/242772438.db2.gz SMHOEFNJUUWKIS-UHFFFAOYSA-N 1 3 331.504 2.985 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(F)cc1N(C)C ZINC000150988660 296115036 /nfs/dbraw/zinc/11/50/36/296115036.db2.gz MOOQUUACGKSTEX-OAHLLOKOSA-N 1 3 336.499 2.568 20 0 EFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H](C)c1ccccc1 ZINC000414207171 296119007 /nfs/dbraw/zinc/11/90/07/296119007.db2.gz ZFCRRSBXNYIHOG-RBUKOAKNSA-N 1 3 345.531 2.565 20 0 EFADHO C[C@@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1C[NH2+]C1 ZINC000422772951 296120557 /nfs/dbraw/zinc/12/05/57/296120557.db2.gz ZJNLQRWDNWODJS-CYBMUJFWSA-N 1 3 342.405 2.951 20 0 EFADHO C[C@@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CNC1 ZINC000422772951 296120560 /nfs/dbraw/zinc/12/05/60/296120560.db2.gz ZJNLQRWDNWODJS-CYBMUJFWSA-N 1 3 342.405 2.951 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246377795 243241789 /nfs/dbraw/zinc/24/17/89/243241789.db2.gz RIMKKTNWEAXRFL-NEWSRXKRSA-N 1 3 346.519 2.579 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246377795 243241794 /nfs/dbraw/zinc/24/17/94/243241794.db2.gz RIMKKTNWEAXRFL-NEWSRXKRSA-N 1 3 346.519 2.579 20 0 EFADHO C[NH+](C)C1(CNC(=O)c2cccc(CN3CCCCC3)c2)CCC1 ZINC000412279442 243243738 /nfs/dbraw/zinc/24/37/38/243243738.db2.gz QFSDJKAGNONJNN-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449851467 284054287 /nfs/dbraw/zinc/05/42/87/284054287.db2.gz VRSKWWTZIYXQNB-APWZRJJASA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC000449851467 284054289 /nfs/dbraw/zinc/05/42/89/284054289.db2.gz VRSKWWTZIYXQNB-APWZRJJASA-N 1 3 333.520 2.917 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000412415816 243306941 /nfs/dbraw/zinc/30/69/41/243306941.db2.gz KFSZQZRAIMCJHA-MRXNPFEDSA-N 1 3 339.455 2.871 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cc2n(n1)CCC2 ZINC000414113075 244007802 /nfs/dbraw/zinc/00/78/02/244007802.db2.gz KBSXPVPDLLFNKR-INIZCTEOSA-N 1 3 342.487 2.663 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1cc2n(n1)CCC2 ZINC000414113078 244009582 /nfs/dbraw/zinc/00/95/82/244009582.db2.gz KBSXPVPDLLFNKR-MRXNPFEDSA-N 1 3 342.487 2.663 20 0 EFADHO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298970 244077579 /nfs/dbraw/zinc/07/75/79/244077579.db2.gz HPULEDWNPSCHFP-WOJBJXKFSA-N 1 3 346.515 2.808 20 0 EFADHO CN(C)c1ncc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)n1C ZINC000414322993 244087910 /nfs/dbraw/zinc/08/79/10/244087910.db2.gz UCZUHSGEWXFIRG-OAHLLOKOSA-N 1 3 347.532 2.549 20 0 EFADHO CN(C)c1ncc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000414322993 244087912 /nfs/dbraw/zinc/08/79/12/244087912.db2.gz UCZUHSGEWXFIRG-OAHLLOKOSA-N 1 3 347.532 2.549 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)n1C ZINC000414322993 244087920 /nfs/dbraw/zinc/08/79/20/244087920.db2.gz UCZUHSGEWXFIRG-OAHLLOKOSA-N 1 3 347.532 2.549 20 0 EFADHO CCC1CC([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414338904 244096330 /nfs/dbraw/zinc/09/63/30/244096330.db2.gz KYYOJPQQVYDYPV-UHFFFAOYSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000071911665 203148532 /nfs/dbraw/zinc/14/85/32/203148532.db2.gz QYEOKCBFIXGANK-HNNXBMFYSA-N 1 3 343.471 2.955 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000071911665 203148536 /nfs/dbraw/zinc/14/85/36/203148536.db2.gz QYEOKCBFIXGANK-HNNXBMFYSA-N 1 3 343.471 2.955 20 0 EFADHO Cc1cc(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)nn1C ZINC000414372285 244113960 /nfs/dbraw/zinc/11/39/60/244113960.db2.gz ZPKOJXRZFLWTMG-UHFFFAOYSA-N 1 3 342.487 2.535 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000414510327 244203986 /nfs/dbraw/zinc/20/39/86/244203986.db2.gz DSYBCBCSBQSFIS-LNLFQRSKSA-N 1 3 331.504 2.732 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(F)c2)C2CCCC2)C1 ZINC000414698802 244296900 /nfs/dbraw/zinc/29/69/00/244296900.db2.gz HZUYJQIQTZRAPX-KRWDZBQOSA-N 1 3 347.478 2.768 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(F)c2)C2CCCC2)C1 ZINC000414698802 244296906 /nfs/dbraw/zinc/29/69/06/244296906.db2.gz HZUYJQIQTZRAPX-KRWDZBQOSA-N 1 3 347.478 2.768 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689885 244291139 /nfs/dbraw/zinc/29/11/39/244291139.db2.gz GVNGVQPZWJNLTB-GOSISDBHSA-N 1 3 331.504 2.732 20 0 EFADHO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414689885 244291144 /nfs/dbraw/zinc/29/11/44/244291144.db2.gz GVNGVQPZWJNLTB-GOSISDBHSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC(F)F)c1 ZINC000414771440 244337926 /nfs/dbraw/zinc/33/79/26/244337926.db2.gz QXTXVOCWCUPCGU-BETUJISGSA-N 1 3 326.387 2.728 20 0 EFADHO COc1ccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1OC ZINC000414773203 244338047 /nfs/dbraw/zinc/33/80/47/244338047.db2.gz DDKSTMZVAYQVRO-LSDHHAIUSA-N 1 3 334.460 2.534 20 0 EFADHO COc1cccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000072759347 203243380 /nfs/dbraw/zinc/24/33/80/203243380.db2.gz JLCBOAMFEAGIFI-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO COc1cccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)c1 ZINC000072759347 203243382 /nfs/dbraw/zinc/24/33/82/203243382.db2.gz JLCBOAMFEAGIFI-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO COc1ccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1OC ZINC000414773197 244339648 /nfs/dbraw/zinc/33/96/48/244339648.db2.gz DDKSTMZVAYQVRO-CABCVRRESA-N 1 3 334.460 2.534 20 0 EFADHO CC[NH+](CC)CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000072794797 203245435 /nfs/dbraw/zinc/24/54/35/203245435.db2.gz FFFOGUPZTKQTAY-UHFFFAOYSA-N 1 3 331.460 2.956 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C)C1 ZINC000072828317 203246120 /nfs/dbraw/zinc/24/61/20/203246120.db2.gz MIILGSORKGPFLE-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745585 244322305 /nfs/dbraw/zinc/32/23/05/244322305.db2.gz PMQHNHULNDUNKU-FPOVZHCZSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745585 244322309 /nfs/dbraw/zinc/32/23/09/244322309.db2.gz PMQHNHULNDUNKU-FPOVZHCZSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)(C)C1 ZINC000072828315 203246488 /nfs/dbraw/zinc/24/64/88/203246488.db2.gz MIILGSORKGPFLE-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO COc1ccc(OC(F)F)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414763035 244331477 /nfs/dbraw/zinc/33/14/77/244331477.db2.gz BGRCLBKTJMTIAG-BETUJISGSA-N 1 3 326.387 2.728 20 0 EFADHO Cc1ccc2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2n1 ZINC000414765745 244334546 /nfs/dbraw/zinc/33/45/46/244334546.db2.gz CGRMLFDBWRRIOK-QUCCMNQESA-N 1 3 325.456 2.871 20 0 EFADHO Cc1ccccc1[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703767 244299279 /nfs/dbraw/zinc/29/92/79/244299279.db2.gz VTLZZRRXUVKDKS-PXNSSMCTSA-N 1 3 331.504 2.821 20 0 EFADHO Cc1ccccc1[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703767 244299284 /nfs/dbraw/zinc/29/92/84/244299284.db2.gz VTLZZRRXUVKDKS-PXNSSMCTSA-N 1 3 331.504 2.821 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)C1 ZINC000414707148 244299363 /nfs/dbraw/zinc/29/93/63/244299363.db2.gz MOGZBYNJDICGAI-OAHLLOKOSA-N 1 3 349.906 2.896 20 0 EFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC2(CC[NH2+]C2)CC1 ZINC000414767183 244337095 /nfs/dbraw/zinc/33/70/95/244337095.db2.gz IOUVAQYRCKQJQA-UHFFFAOYSA-N 1 3 328.435 2.895 20 0 EFADHO [NH3+]C[C@H](NC1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414809134 244361037 /nfs/dbraw/zinc/36/10/37/244361037.db2.gz TYZBZEPRHGNHQO-KRWDZBQOSA-N 1 3 325.859 2.770 20 0 EFADHO Cc1nc(COc2ccc(CN[C@H]3CCCC[C@H]3C[NH3+])cc2)no1 ZINC000414808982 244361591 /nfs/dbraw/zinc/36/15/91/244361591.db2.gz SYXIGHPVASXQSU-RDJZCZTQSA-N 1 3 330.432 2.564 20 0 EFADHO c1cncc(CN2CCC(NCC[NH2+]C3CCCCCC3)CC2)c1 ZINC000414815976 244366868 /nfs/dbraw/zinc/36/68/68/244366868.db2.gz VVZXJGAIFXLHKO-UHFFFAOYSA-N 1 3 330.520 2.948 20 0 EFADHO CN(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000073041485 203254636 /nfs/dbraw/zinc/25/46/36/203254636.db2.gz DVHFFVSZEWKRQC-IBGZPJMESA-N 1 3 325.456 2.781 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414847481 244370110 /nfs/dbraw/zinc/37/01/10/244370110.db2.gz VWKJVZJEMYSJPV-VXGBXAGGSA-N 1 3 342.281 2.611 20 0 EFADHO COc1cc(Br)c(CNCC[C@@H]2CCC[NH2+]C2)cc1O ZINC000414849231 244370913 /nfs/dbraw/zinc/37/09/13/244370913.db2.gz XUCCUYMEKCWZSX-NSHDSACASA-N 1 3 343.265 2.643 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CC1(N)CCCCCC1 ZINC000414858572 244374174 /nfs/dbraw/zinc/37/41/74/244374174.db2.gz KBIMDYQRVJLXCI-GFCCVEGCSA-N 1 3 329.286 2.675 20 0 EFADHO c1cc(-c2nc3ccccc3s2)oc1CNCCN1CC[NH2+]CC1 ZINC000414866509 244377406 /nfs/dbraw/zinc/37/74/06/244377406.db2.gz NAMKZEQRXBRMRA-UHFFFAOYSA-N 1 3 342.468 2.551 20 0 EFADHO FC(F)(F)c1ccc(Cl)c(CNCCCN2CC[NH2+]CC2)c1 ZINC000414783853 244347056 /nfs/dbraw/zinc/34/70/56/244347056.db2.gz RGXOVISRGOHVJV-UHFFFAOYSA-N 1 3 335.801 2.744 20 0 EFADHO CCOCc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC ZINC000414787300 244350563 /nfs/dbraw/zinc/35/05/63/244350563.db2.gz LMTGNSXSTCOCMW-QUCCMNQESA-N 1 3 348.487 2.560 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000414792243 244355863 /nfs/dbraw/zinc/35/58/63/244355863.db2.gz ROOYKBXNLAPXDM-QUCCMNQESA-N 1 3 340.471 2.713 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000414794051 244356817 /nfs/dbraw/zinc/35/68/17/244356817.db2.gz VGNULGFGPHYMJA-QUCCMNQESA-N 1 3 340.471 2.713 20 0 EFADHO Cc1cccn2cc(COc3ccc(CNC[C@@H](C)C[NH3+])cc3)nc12 ZINC000414874749 244382161 /nfs/dbraw/zinc/38/21/61/244382161.db2.gz IZSGWYMMJTXDIV-HNNXBMFYSA-N 1 3 338.455 2.906 20 0 EFADHO C[C@H](C[NH3+])CNCc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000414882874 244386876 /nfs/dbraw/zinc/38/68/76/244386876.db2.gz UUJAPBZXUQBUOK-MRXNPFEDSA-N 1 3 335.455 2.678 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000075860685 203326018 /nfs/dbraw/zinc/32/60/18/203326018.db2.gz AJALJOJBKNHPBY-MRXNPFEDSA-N 1 3 347.459 2.550 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000075860685 203326020 /nfs/dbraw/zinc/32/60/20/203326020.db2.gz AJALJOJBKNHPBY-MRXNPFEDSA-N 1 3 347.459 2.550 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000416833118 244863498 /nfs/dbraw/zinc/86/34/98/244863498.db2.gz CFYDLGBDKBJJOV-RYQLBKOJSA-N 1 3 332.492 2.509 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000416846808 244871062 /nfs/dbraw/zinc/87/10/62/244871062.db2.gz UNRWSIIWIBIBMB-BHIYHBOVSA-N 1 3 346.519 2.696 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000417070273 245005636 /nfs/dbraw/zinc/00/56/36/245005636.db2.gz FYBOPGRNPHONLW-CEXWTWQISA-N 1 3 344.503 2.736 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000417070273 245005642 /nfs/dbraw/zinc/00/56/42/245005642.db2.gz FYBOPGRNPHONLW-CEXWTWQISA-N 1 3 344.503 2.736 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000417119106 245030201 /nfs/dbraw/zinc/03/02/01/245030201.db2.gz SLKNXFBDZKKYCF-GOSISDBHSA-N 1 3 344.503 2.612 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000417061073 245001025 /nfs/dbraw/zinc/00/10/25/245001025.db2.gz BQPZRCVCITXRJB-BEFAXECRSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000417061073 245001032 /nfs/dbraw/zinc/00/10/32/245001032.db2.gz BQPZRCVCITXRJB-BEFAXECRSA-N 1 3 344.503 2.593 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208477 245047852 /nfs/dbraw/zinc/04/78/52/245047852.db2.gz AYBXBRMZODRBDE-PKOBYXMFSA-N 1 3 346.519 2.614 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000417216411 245049440 /nfs/dbraw/zinc/04/94/40/245049440.db2.gz BRTRXKUVTWFPJS-ZIFCJYIRSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000417218889 245050915 /nfs/dbraw/zinc/05/09/15/245050915.db2.gz HVRTZGBVMHGMQY-OQIJWPOYSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000417217891 245051011 /nfs/dbraw/zinc/05/10/11/245051011.db2.gz DYUNWUBEOFFPGV-QFHJOOASSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000417218376 245051281 /nfs/dbraw/zinc/05/12/81/245051281.db2.gz GKYWJQLXUGGJDG-ISARSNTHSA-N 1 3 344.503 2.733 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000417218377 245051348 /nfs/dbraw/zinc/05/13/48/245051348.db2.gz GKYWJQLXUGGJDG-NBMJBFSESA-N 1 3 344.503 2.733 20 0 EFADHO CC(C)([NH3+])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC000262643085 245090189 /nfs/dbraw/zinc/09/01/89/245090189.db2.gz LYUXEMZBARBYMX-UHFFFAOYSA-N 1 3 346.475 2.567 20 0 EFADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000417388919 245076864 /nfs/dbraw/zinc/07/68/64/245076864.db2.gz PASQYFVVKLTQKJ-CADBVGFASA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417388919 245076869 /nfs/dbraw/zinc/07/68/69/245076869.db2.gz PASQYFVVKLTQKJ-CADBVGFASA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417388919 245076879 /nfs/dbraw/zinc/07/68/79/245076879.db2.gz PASQYFVVKLTQKJ-CADBVGFASA-N 1 3 349.469 2.826 20 0 EFADHO C[C@H](N[C@@H]1CCN(CC(F)F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417389615 245077824 /nfs/dbraw/zinc/07/78/24/245077824.db2.gz PTZKQEKXYMWDLF-RYQLBKOJSA-N 1 3 337.458 2.826 20 0 EFADHO C[C@H](N[C@@H]1CCN(CC(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417389615 245077829 /nfs/dbraw/zinc/07/78/29/245077829.db2.gz PTZKQEKXYMWDLF-RYQLBKOJSA-N 1 3 337.458 2.826 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418310195 245117929 /nfs/dbraw/zinc/11/79/29/245117929.db2.gz JIJSKNQGBFTSAY-MSOLQXFVSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418314329 245119555 /nfs/dbraw/zinc/11/95/55/245119555.db2.gz SCFCCUFQQJGBGA-SJLPKXTDSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418340606 245128158 /nfs/dbraw/zinc/12/81/58/245128158.db2.gz GPGKEOIIMXFOTF-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO NC[C@@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000418344768 245129247 /nfs/dbraw/zinc/12/92/47/245129247.db2.gz KWEJDUMSHQCRGZ-HNAYVOBHSA-N 1 3 340.471 2.529 20 0 EFADHO NC[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000418344766 245130011 /nfs/dbraw/zinc/13/00/11/245130011.db2.gz KWEJDUMSHQCRGZ-DNVCBOLYSA-N 1 3 340.471 2.529 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000418350142 245131430 /nfs/dbraw/zinc/13/14/30/245131430.db2.gz KVWGYOVHQJTGDG-ZWKOTPCHSA-N 1 3 332.492 2.641 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000418353884 245133992 /nfs/dbraw/zinc/13/39/92/245133992.db2.gz NUAUNONTIYMJDP-GOSISDBHSA-N 1 3 332.492 2.547 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418372089 245138450 /nfs/dbraw/zinc/13/84/50/245138450.db2.gz SNCRSWWTBDZXCB-LNLFQRSKSA-N 1 3 346.519 2.536 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418392638 245142648 /nfs/dbraw/zinc/14/26/48/245142648.db2.gz WKSORHANGPNNLW-RBUKOAKNSA-N 1 3 346.519 2.523 20 0 EFADHO NC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000418418908 245149772 /nfs/dbraw/zinc/14/97/72/245149772.db2.gz WXTAYJQHAXTGAT-OTWHNJEPSA-N 1 3 340.471 2.656 20 0 EFADHO CCC[NH2+]CCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418491668 245172563 /nfs/dbraw/zinc/17/25/63/245172563.db2.gz SLLDJWPUZYBYEZ-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO NC[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000418498122 245175510 /nfs/dbraw/zinc/17/55/10/245175510.db2.gz JITQWYADZZEQEZ-MOPGFXCFSA-N 1 3 340.471 2.671 20 0 EFADHO CCCN(C(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC000418495575 245175539 /nfs/dbraw/zinc/17/55/39/245175539.db2.gz BLPPUTDEFHTNKD-RTBURBONSA-N 1 3 340.471 2.623 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418501411 245177344 /nfs/dbraw/zinc/17/73/44/245177344.db2.gz QUBBKAXSUHLBPX-MOPGFXCFSA-N 1 3 340.471 2.575 20 0 EFADHO NC[C@@H](NC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499710 245177835 /nfs/dbraw/zinc/17/78/35/245177835.db2.gz MNQMYXGXQAIUCC-DNVCBOLYSA-N 1 3 340.471 2.610 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418432202 245155275 /nfs/dbraw/zinc/15/52/75/245155275.db2.gz YUTPVBPVDIWDQF-SFHVURJKSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000418431226 245155328 /nfs/dbraw/zinc/15/53/28/245155328.db2.gz QKHRRNGTNPUNHQ-FHWLQOOXSA-N 1 3 346.519 2.886 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418446042 245160531 /nfs/dbraw/zinc/16/05/31/245160531.db2.gz NSHGGPGYTRUXFQ-ROUUACIJSA-N 1 3 328.460 2.656 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418452080 245162707 /nfs/dbraw/zinc/16/27/07/245162707.db2.gz WWBJDUZVBOLXNQ-MJGOQNOKSA-N 1 3 346.519 2.667 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418454104 245164774 /nfs/dbraw/zinc/16/47/74/245164774.db2.gz AQQOIWNLKQINBF-SFHVURJKSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418549070 245190302 /nfs/dbraw/zinc/19/03/02/245190302.db2.gz DWYIYKGRZDQMLE-UHFFFAOYSA-N 1 3 332.492 2.553 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000418591977 245205978 /nfs/dbraw/zinc/20/59/78/245205978.db2.gz CTOLOBOLZTXUNF-JKSUJKDBSA-N 1 3 338.540 2.669 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418531155 245185315 /nfs/dbraw/zinc/18/53/15/245185315.db2.gz AZCUEPPTGVPRNQ-HXUWFJFHSA-N 1 3 346.519 2.586 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418535408 245187035 /nfs/dbraw/zinc/18/70/35/245187035.db2.gz HICIEOWAIJEKLQ-HXUWFJFHSA-N 1 3 346.519 2.669 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418633634 245220279 /nfs/dbraw/zinc/22/02/79/245220279.db2.gz IJRWKPNAXWOTIG-IBGZPJMESA-N 1 3 346.519 2.637 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418646093 245224179 /nfs/dbraw/zinc/22/41/79/245224179.db2.gz DVQQMEIBVHGHOX-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418692618 245249634 /nfs/dbraw/zinc/24/96/34/245249634.db2.gz SGPRLOMXCVFKTB-CQSZACIVSA-N 1 3 340.899 2.541 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418705140 245252808 /nfs/dbraw/zinc/25/28/08/245252808.db2.gz ABBOTIXGOBQMQZ-ZWKOTPCHSA-N 1 3 338.540 2.802 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418688262 245246312 /nfs/dbraw/zinc/24/63/12/245246312.db2.gz FCVGPPWYPGJSNT-KRWDZBQOSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000102419362 204037838 /nfs/dbraw/zinc/03/78/38/204037838.db2.gz RJULYKIMHHFLHV-UHFFFAOYSA-N 1 3 325.250 2.766 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000236888996 204090080 /nfs/dbraw/zinc/09/00/80/204090080.db2.gz HTXROBHMHCXNRS-GJYPPUQNSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236888996 204090083 /nfs/dbraw/zinc/09/00/83/204090083.db2.gz HTXROBHMHCXNRS-GJYPPUQNSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1cccc(OC)c1 ZINC000236873918 204045467 /nfs/dbraw/zinc/04/54/67/204045467.db2.gz FUMQXQQDIOEAME-GOSISDBHSA-N 1 3 347.503 2.856 20 0 EFADHO CC(C)N1CCC([NH2+][C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000419144721 245346717 /nfs/dbraw/zinc/34/67/17/245346717.db2.gz PALAPWUHGNYKGT-KXBFYZLASA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000105075279 204133008 /nfs/dbraw/zinc/13/30/08/204133008.db2.gz MPTMRNSJZALTPM-MJGOQNOKSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000105075279 204133010 /nfs/dbraw/zinc/13/30/10/204133010.db2.gz MPTMRNSJZALTPM-MJGOQNOKSA-N 1 3 346.519 2.709 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000105068705 204133149 /nfs/dbraw/zinc/13/31/49/204133149.db2.gz WMNCJVMHVYWGEP-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105113502 204133430 /nfs/dbraw/zinc/13/34/30/204133430.db2.gz BIPWVNRNTDSIAG-INIZCTEOSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)N(C)C1CC1 ZINC000105113502 204133433 /nfs/dbraw/zinc/13/34/33/204133433.db2.gz BIPWVNRNTDSIAG-INIZCTEOSA-N 1 3 346.519 2.809 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H](N(C)C)C2)cc1 ZINC000105093580 204135175 /nfs/dbraw/zinc/13/51/75/204135175.db2.gz HKCBYZGTZWRPMY-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000105141204 204135678 /nfs/dbraw/zinc/13/56/78/204135678.db2.gz OPFFPWSHAUCZKY-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000105141204 204135682 /nfs/dbraw/zinc/13/56/82/204135682.db2.gz OPFFPWSHAUCZKY-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)N(C)C ZINC000106912872 204218275 /nfs/dbraw/zinc/21/82/75/204218275.db2.gz LORUAMWSPJGQSR-SFHVURJKSA-N 1 3 349.544 2.803 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000106461004 204196725 /nfs/dbraw/zinc/19/67/25/204196725.db2.gz CQPRVFXEPUUNGR-DOTOQJQBSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000106461004 204196728 /nfs/dbraw/zinc/19/67/28/204196728.db2.gz CQPRVFXEPUUNGR-DOTOQJQBSA-N 1 3 337.533 2.663 20 0 EFADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420303288 284266823 /nfs/dbraw/zinc/26/68/23/284266823.db2.gz CQXZQXNDGWSTKH-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000420303288 284266824 /nfs/dbraw/zinc/26/68/24/284266824.db2.gz CQXZQXNDGWSTKH-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420303288 284266825 /nfs/dbraw/zinc/26/68/25/284266825.db2.gz CQXZQXNDGWSTKH-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000110977221 204328986 /nfs/dbraw/zinc/32/89/86/204328986.db2.gz BRHTZJCAQQSVQQ-RAFMOHDBSA-N 1 3 343.515 2.884 20 0 EFADHO CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000110977221 204328988 /nfs/dbraw/zinc/32/89/88/204328988.db2.gz BRHTZJCAQQSVQQ-RAFMOHDBSA-N 1 3 343.515 2.884 20 0 EFADHO [NH3+]C[C@@H]1CCCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000044531157 204300683 /nfs/dbraw/zinc/30/06/83/204300683.db2.gz SXMYKJBBKXJWFZ-NSHDSACASA-N 1 3 330.259 2.993 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237085033 204370991 /nfs/dbraw/zinc/37/09/91/204370991.db2.gz IJNUBUYTZDKDHR-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237085033 204370996 /nfs/dbraw/zinc/37/09/96/204370996.db2.gz IJNUBUYTZDKDHR-JTDSTZFVSA-N 1 3 331.504 2.908 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000111240453 204342814 /nfs/dbraw/zinc/34/28/14/204342814.db2.gz ZFTNLUNDKZHNOT-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000111240453 204342818 /nfs/dbraw/zinc/34/28/18/204342818.db2.gz ZFTNLUNDKZHNOT-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO C[C@@H]1[C@H](C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000419368658 245390255 /nfs/dbraw/zinc/39/02/55/245390255.db2.gz GGSDJWXIISLHTA-KURKYZTESA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH+](C)C ZINC000120037935 204702933 /nfs/dbraw/zinc/70/29/33/204702933.db2.gz GGEHFNTWJMONCG-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN(C)c2ccccc2)[C@H](C)C1 ZINC000125875436 205030475 /nfs/dbraw/zinc/03/04/75/205030475.db2.gz MXXKPCABYKNYRW-UYAOXDASSA-N 1 3 333.520 2.849 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN(C)c2ccccc2)[C@H](C)C1 ZINC000125875436 205030479 /nfs/dbraw/zinc/03/04/79/205030479.db2.gz MXXKPCABYKNYRW-UYAOXDASSA-N 1 3 333.520 2.849 20 0 EFADHO Cc1cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000126482050 205058967 /nfs/dbraw/zinc/05/89/67/205058967.db2.gz VEYXZHQOZPHXFZ-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668336 205066174 /nfs/dbraw/zinc/06/61/74/205066174.db2.gz NGCQPPFYTKBHHB-BQFCYCMXSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668336 205066177 /nfs/dbraw/zinc/06/61/77/205066177.db2.gz NGCQPPFYTKBHHB-BQFCYCMXSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126668336 205066182 /nfs/dbraw/zinc/06/61/82/205066182.db2.gz NGCQPPFYTKBHHB-BQFCYCMXSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@@H](NCC[S@@](=O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000127202172 205089249 /nfs/dbraw/zinc/08/92/49/205089249.db2.gz BHOFEKRDWDVKNU-CMJOXMDJSA-N 1 3 340.533 2.825 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000127377740 205097371 /nfs/dbraw/zinc/09/73/71/205097371.db2.gz HPWOVPHQAKKUAY-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000128576073 205152154 /nfs/dbraw/zinc/15/21/54/205152154.db2.gz XNQZGBRWPJVKHQ-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO N[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247111319 205266430 /nfs/dbraw/zinc/26/64/30/205266430.db2.gz LOXWCAKSAFDSRH-VQTJNVASSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247111319 205266435 /nfs/dbraw/zinc/26/64/35/205266435.db2.gz LOXWCAKSAFDSRH-VQTJNVASSA-N 1 3 337.467 2.715 20 0 EFADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000131390172 205286551 /nfs/dbraw/zinc/28/65/51/205286551.db2.gz BSUUQYPCLDPODD-ZDUSSCGKSA-N 1 3 326.872 2.774 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000131390172 205286556 /nfs/dbraw/zinc/28/65/56/205286556.db2.gz BSUUQYPCLDPODD-ZDUSSCGKSA-N 1 3 326.872 2.774 20 0 EFADHO C[C@H](CC(=O)NCCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000247978989 205323725 /nfs/dbraw/zinc/32/37/25/205323725.db2.gz LZPBCEJEMQXKLN-MJGOQNOKSA-N 1 3 331.504 2.651 20 0 EFADHO CCCC[C@H](COC)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132720336 205338417 /nfs/dbraw/zinc/33/84/17/205338417.db2.gz DRMNVPAHRLSAIO-LJQANCHMSA-N 1 3 334.504 2.938 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC(F)F)c1 ZINC000150970643 205597940 /nfs/dbraw/zinc/59/79/40/205597940.db2.gz QMAGKLJZMAATBA-CQSZACIVSA-N 1 3 341.446 2.965 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH+](C)C ZINC000151902494 205686566 /nfs/dbraw/zinc/68/65/66/205686566.db2.gz BKDQWWOQZVLPCW-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000353926517 146590734 /nfs/dbraw/zinc/59/07/34/146590734.db2.gz GZQIILZJIPMATR-CTNGQTDRSA-N 1 3 346.515 2.938 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264609644 296207896 /nfs/dbraw/zinc/20/78/96/296207896.db2.gz ZEZVFSWEELSXHP-HXUWFJFHSA-N 1 3 341.499 2.983 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000421700475 246068652 /nfs/dbraw/zinc/06/86/52/246068652.db2.gz FBNVCYYJBXWVTH-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCN1C ZINC000156077453 206053831 /nfs/dbraw/zinc/05/38/31/206053831.db2.gz SJTSXWFQCGYNIZ-UXHICEINSA-N 1 3 344.547 2.661 20 0 EFADHO COc1ccc([C@H](NCCN2CCC([NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421839528 246136081 /nfs/dbraw/zinc/13/60/81/246136081.db2.gz XJXGHSBCWDDAKT-HXUWFJFHSA-N 1 3 349.494 2.901 20 0 EFADHO Cc1cc(Cl)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000157135864 206118709 /nfs/dbraw/zinc/11/87/09/206118709.db2.gz LQKRKCDKACSAAX-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158074708 206170874 /nfs/dbraw/zinc/17/08/74/206170874.db2.gz GPWLMZFGDHPCSQ-OCCSQVGLSA-N 1 3 339.867 2.750 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158074708 206170878 /nfs/dbraw/zinc/17/08/78/206170878.db2.gz GPWLMZFGDHPCSQ-OCCSQVGLSA-N 1 3 339.867 2.750 20 0 EFADHO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(OCCN(C)C)c1 ZINC000158253031 206182195 /nfs/dbraw/zinc/18/21/95/206182195.db2.gz MIOUYLWWQWTUAF-INIZCTEOSA-N 1 3 330.476 2.644 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264304062 246323502 /nfs/dbraw/zinc/32/35/02/246323502.db2.gz SOWCDYRUMCMHEJ-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422597244 246399887 /nfs/dbraw/zinc/39/98/87/246399887.db2.gz JQHIXZDPEDKSMG-OAHLLOKOSA-N 1 3 332.492 2.639 20 0 EFADHO Fc1ccc2c(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422838018 246483270 /nfs/dbraw/zinc/48/32/70/246483270.db2.gz NNTVVTSDJSWYCP-KZNAEPCWSA-N 1 3 331.435 2.596 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422828255 246477501 /nfs/dbraw/zinc/47/75/01/246477501.db2.gz OEDSINRYLFGEFB-GUDVDZBRSA-N 1 3 345.487 2.785 20 0 EFADHO CCOC(=O)C1([C@H](C)NC2(c3cccc(F)c3)CC2)CC[NH2+]CC1 ZINC000422948571 246522206 /nfs/dbraw/zinc/52/22/06/246522206.db2.gz SLXIIXWLAFPUAP-AWEZNQCLSA-N 1 3 334.435 2.726 20 0 EFADHO C[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422984864 246534960 /nfs/dbraw/zinc/53/49/60/246534960.db2.gz ZLKSGSPTFFYRQI-UZLBHIALSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCOc1ccc(Cl)c(Cl)c1 ZINC000423152878 246583761 /nfs/dbraw/zinc/58/37/61/246583761.db2.gz FVXRPYJBLKJKAB-WBIUFABUSA-N 1 3 333.259 2.714 20 0 EFADHO Cc1c([C@H](C)NCC2(C)CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000423325915 246622179 /nfs/dbraw/zinc/62/21/79/246622179.db2.gz JZWQNTHRDOEOCL-ZDUSSCGKSA-N 1 3 331.439 2.755 20 0 EFADHO CN1C[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)Cc2ccccc21 ZINC000425895292 247207341 /nfs/dbraw/zinc/20/73/41/247207341.db2.gz IQGIVSIZMCAPSW-HNNXBMFYSA-N 1 3 340.471 2.540 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN(C)C1CC1)c1ccccc1 ZINC000265082864 247186818 /nfs/dbraw/zinc/18/68/18/247186818.db2.gz NLLBQGWBKCYGKV-HNNXBMFYSA-N 1 3 332.492 2.509 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000427277840 247333177 /nfs/dbraw/zinc/33/31/77/247333177.db2.gz ZQMLLHLJJYEHHK-QGZVFWFLSA-N 1 3 329.488 2.547 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000427312968 247336712 /nfs/dbraw/zinc/33/67/12/247336712.db2.gz KWQHQVSEQOVISA-IEBWSBKVSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(OCCN(C)C)c1 ZINC000161748167 206368816 /nfs/dbraw/zinc/36/88/16/206368816.db2.gz RXRPPCAXJPNYCJ-MRXNPFEDSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433229171 248031995 /nfs/dbraw/zinc/03/19/95/248031995.db2.gz QZDWGZXGERSWPP-IAGOWNOFSA-N 1 3 331.504 2.846 20 0 EFADHO CCCN(CCC(=O)NCc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000433859241 248097103 /nfs/dbraw/zinc/09/71/03/248097103.db2.gz RTSRUADTCQKRDS-UHFFFAOYSA-N 1 3 337.895 2.810 20 0 EFADHO CN(C)[C@H](CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000433365666 248051864 /nfs/dbraw/zinc/05/18/64/248051864.db2.gz XESSIZXQLJKYPB-RBUKOAKNSA-N 1 3 329.488 2.766 20 0 EFADHO CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389550 248235316 /nfs/dbraw/zinc/23/53/16/248235316.db2.gz LLZMHTQSPHKSLI-DOTOQJQBSA-N 1 3 334.460 2.591 20 0 EFADHO CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435389551 248235854 /nfs/dbraw/zinc/23/58/54/248235854.db2.gz LLZMHTQSPHKSLI-NVXWUHKLSA-N 1 3 334.460 2.591 20 0 EFADHO CCN(Cc1ccc(OCc2noc(C)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435395088 248236090 /nfs/dbraw/zinc/23/60/90/248236090.db2.gz QXJHJAFJENHDQZ-QGZVFWFLSA-N 1 3 344.459 2.921 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343369143 284684628 /nfs/dbraw/zinc/68/46/28/284684628.db2.gz KPXAMNPJDMZENL-CGBFIWBNSA-N 1 3 348.535 2.988 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000442870456 250134070 /nfs/dbraw/zinc/13/40/70/250134070.db2.gz CYGZIPRLGJOKRD-CQSZACIVSA-N 1 3 336.549 2.699 20 0 EFADHO C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443233146 250174538 /nfs/dbraw/zinc/17/45/38/250174538.db2.gz ZWVAGNGDLVRADN-AEFFLSMTSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CC[NH3+])C1 ZINC000443057637 250154919 /nfs/dbraw/zinc/15/49/19/250154919.db2.gz HMRJCCUIBPRKIZ-KJJLILKLSA-N 1 3 333.520 2.521 20 0 EFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000443058444 250155084 /nfs/dbraw/zinc/15/50/84/250155084.db2.gz ADXNIUGMKRRFMU-OXQOHEQNSA-N 1 3 347.503 2.569 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443060725 250155239 /nfs/dbraw/zinc/15/52/39/250155239.db2.gz PSUBMOYKBKNMIM-KGLIPLIRSA-N 1 3 339.430 2.545 20 0 EFADHO CC[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443062010 250155342 /nfs/dbraw/zinc/15/53/42/250155342.db2.gz SZSRTOOGBNZKEO-PBHICJAKSA-N 1 3 337.895 2.968 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057872 250155576 /nfs/dbraw/zinc/15/55/76/250155576.db2.gz IMLMSQWPCJHDDN-OLZOCXBDSA-N 1 3 341.402 2.676 20 0 EFADHO COc1ccc([C@@H](NC(=O)CN2CCC[C@@H](CC[NH3+])C2)C(C)C)cc1 ZINC000443058442 250155759 /nfs/dbraw/zinc/15/57/59/250155759.db2.gz ADXNIUGMKRRFMU-JXFKEZNVSA-N 1 3 347.503 2.569 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000443631599 250215134 /nfs/dbraw/zinc/21/51/34/250215134.db2.gz LVDSTLJQOYDEPY-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000443631599 250215135 /nfs/dbraw/zinc/21/51/35/250215135.db2.gz LVDSTLJQOYDEPY-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000443512632 250202168 /nfs/dbraw/zinc/20/21/68/250202168.db2.gz WLMPHAVYSRKPBX-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000443512635 250202937 /nfs/dbraw/zinc/20/29/37/250202937.db2.gz WLMPHAVYSRKPBX-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443959622 250241979 /nfs/dbraw/zinc/24/19/79/250241979.db2.gz IBPNNJVZZZEXMV-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000444615532 250318226 /nfs/dbraw/zinc/31/82/26/250318226.db2.gz AAVWRQSJDDFACE-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@H]1C ZINC000444615532 250318227 /nfs/dbraw/zinc/31/82/27/250318227.db2.gz AAVWRQSJDDFACE-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000444855167 250357554 /nfs/dbraw/zinc/35/75/54/250357554.db2.gz VANHDCAGTWAGLV-UHFFFAOYSA-N 1 3 338.540 2.528 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416849287 284816719 /nfs/dbraw/zinc/81/67/19/284816719.db2.gz XUOSYOPZAWDJNJ-RBUKOAKNSA-N 1 3 346.519 2.901 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](N)Cc1ccccc1)c1ccccc1 ZINC000236883971 284821463 /nfs/dbraw/zinc/82/14/63/284821463.db2.gz OMKKGYNSDYMISO-WOJBJXKFSA-N 1 3 339.483 2.756 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)c1cccc(OC)c1 ZINC000342765804 284821765 /nfs/dbraw/zinc/82/17/65/284821765.db2.gz QJOJOFONQMDLTL-ZYSHUDEJSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944726 296312844 /nfs/dbraw/zinc/31/28/44/296312844.db2.gz RIAMMMKJSMGCRW-MSOLQXFVSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944726 296312845 /nfs/dbraw/zinc/31/28/45/296312845.db2.gz RIAMMMKJSMGCRW-MSOLQXFVSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000269240841 296313470 /nfs/dbraw/zinc/31/34/70/296313470.db2.gz JFJMYBGZXDYBNI-RLLQIKCJSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000269240841 296313472 /nfs/dbraw/zinc/31/34/72/296313472.db2.gz JFJMYBGZXDYBNI-RLLQIKCJSA-N 1 3 343.515 2.669 20 0 EFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000449450326 251031199 /nfs/dbraw/zinc/03/11/99/251031199.db2.gz BDHGCNHOZHTJEP-PFAUGDHASA-N 1 3 344.499 2.538 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H](CC)[C@H](O)CC)CC1 ZINC000449638382 251089307 /nfs/dbraw/zinc/08/93/07/251089307.db2.gz KKRYKXOGELSREO-UYAOXDASSA-N 1 3 333.520 2.858 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@@H](C)C1 ZINC000449657927 251099748 /nfs/dbraw/zinc/09/97/48/251099748.db2.gz RJZVNCGPBIXIPP-IECFSIQFSA-N 1 3 334.508 2.700 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)[C@@H](C)C1 ZINC000449657927 251099751 /nfs/dbraw/zinc/09/97/51/251099751.db2.gz RJZVNCGPBIXIPP-IECFSIQFSA-N 1 3 334.508 2.700 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000449727587 251131775 /nfs/dbraw/zinc/13/17/75/251131775.db2.gz QQWOKYWILLVPEO-NSISKUIASA-N 1 3 343.515 2.573 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@@H](CCCO)C1)C1CCN(C)CC1 ZINC000449794102 251157903 /nfs/dbraw/zinc/15/79/03/251157903.db2.gz ZQCKWUVMUXGCRR-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@@H](CCCO)C1)C1CCN(C)CC1 ZINC000449794102 251157909 /nfs/dbraw/zinc/15/79/09/251157909.db2.gz ZQCKWUVMUXGCRR-GOSISDBHSA-N 1 3 345.531 2.811 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449994994 251224906 /nfs/dbraw/zinc/22/49/06/251224906.db2.gz VLUIHYJKMIENJC-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(CN1C[C@@H]2CCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176261000 207208251 /nfs/dbraw/zinc/20/82/51/207208251.db2.gz XKMSPNSRNACZMX-BGYRXZFFSA-N 1 3 341.499 2.631 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000267843004 251399420 /nfs/dbraw/zinc/39/94/20/251399420.db2.gz ACZZODITNALOAV-QAPCUYQASA-N 1 3 327.472 2.637 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccccn3)CC2)C[C@@H](C)O1 ZINC000177500242 207345756 /nfs/dbraw/zinc/34/57/56/207345756.db2.gz VUQUMUVBGNRQKY-QZTJIDSGSA-N 1 3 331.504 2.835 20 0 EFADHO CC(C)(CNC(=O)NCCCCC[NH+]1CCCC1)N1CCCCC1 ZINC000454203443 252170972 /nfs/dbraw/zinc/17/09/72/252170972.db2.gz YWIXBFFSZJCTDZ-UHFFFAOYSA-N 1 3 338.540 2.816 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000454218118 252177009 /nfs/dbraw/zinc/17/70/09/252177009.db2.gz QYMOSDWJMUHHNY-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000454250643 252188721 /nfs/dbraw/zinc/18/87/21/252188721.db2.gz BOIIUTFRVFDGEK-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268787846 252238569 /nfs/dbraw/zinc/23/85/69/252238569.db2.gz DMXXGZZFLHEYHX-CVEARBPZSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@@H](C)NC(=O)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787846 252238572 /nfs/dbraw/zinc/23/85/72/252238572.db2.gz DMXXGZZFLHEYHX-CVEARBPZSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801557 252255558 /nfs/dbraw/zinc/25/55/58/252255558.db2.gz HUCZXXDXWOOJTF-IAGOWNOFSA-N 1 3 329.488 2.658 20 0 EFADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801557 252255564 /nfs/dbraw/zinc/25/55/64/252255564.db2.gz HUCZXXDXWOOJTF-IAGOWNOFSA-N 1 3 329.488 2.658 20 0 EFADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801559 252256124 /nfs/dbraw/zinc/25/61/24/252256124.db2.gz HUCZXXDXWOOJTF-SJORKVTESA-N 1 3 329.488 2.658 20 0 EFADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801559 252256127 /nfs/dbraw/zinc/25/61/27/252256127.db2.gz HUCZXXDXWOOJTF-SJORKVTESA-N 1 3 329.488 2.658 20 0 EFADHO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268804051 252256875 /nfs/dbraw/zinc/25/68/75/252256875.db2.gz IGGXCRALKFTDKW-QGZVFWFLSA-N 1 3 349.519 2.926 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000268812731 252264795 /nfs/dbraw/zinc/26/47/95/252264795.db2.gz LNMJONSLLBRIMG-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000268848824 252297507 /nfs/dbraw/zinc/29/75/07/252297507.db2.gz GUQMGDYCCBIFPV-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848824 252297510 /nfs/dbraw/zinc/29/75/10/252297510.db2.gz GUQMGDYCCBIFPV-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268848824 252297513 /nfs/dbraw/zinc/29/75/13/252297513.db2.gz GUQMGDYCCBIFPV-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861435 252310191 /nfs/dbraw/zinc/31/01/91/252310191.db2.gz SGKXSBDNOPDSPK-PZJWPPBQSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861435 252310195 /nfs/dbraw/zinc/31/01/95/252310195.db2.gz SGKXSBDNOPDSPK-PZJWPPBQSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861435 252310200 /nfs/dbraw/zinc/31/02/00/252310200.db2.gz SGKXSBDNOPDSPK-PZJWPPBQSA-N 1 3 347.547 2.845 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268877139 252325474 /nfs/dbraw/zinc/32/54/74/252325474.db2.gz LWFHBKBAEWCOSC-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCOC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268877139 252325477 /nfs/dbraw/zinc/32/54/77/252325477.db2.gz LWFHBKBAEWCOSC-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(F)(F)F ZINC000356042343 285242944 /nfs/dbraw/zinc/24/29/44/285242944.db2.gz HVQARIIMYZIDHN-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCC(F)(F)F ZINC000356042343 285242945 /nfs/dbraw/zinc/24/29/45/285242945.db2.gz HVQARIIMYZIDHN-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1 ZINC000420330302 296428740 /nfs/dbraw/zinc/42/87/40/296428740.db2.gz AXESGAXHYJWHSO-RBUKOAKNSA-N 1 3 327.472 2.646 20 0 EFADHO OC[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423011117 285286270 /nfs/dbraw/zinc/28/62/70/285286270.db2.gz ZBHJWBUDGFQECR-CUWPLCDZSA-N 1 3 338.451 2.608 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000155601024 285333123 /nfs/dbraw/zinc/33/31/23/285333123.db2.gz OLIGRAWYLHMXID-PKOBYXMFSA-N 1 3 331.504 2.824 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H]2OC)CC1 ZINC000341286369 285339248 /nfs/dbraw/zinc/33/92/48/285339248.db2.gz KNLDRXMEGLJEJL-ICSRJNTNSA-N 1 3 331.504 2.733 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000361772600 285388084 /nfs/dbraw/zinc/38/80/84/285388084.db2.gz YUFRVEPDZPGDLH-BDXSIMOUSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C[C@H]1C ZINC000361772600 285388085 /nfs/dbraw/zinc/38/80/85/285388085.db2.gz YUFRVEPDZPGDLH-BDXSIMOUSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414207170 299647708 /nfs/dbraw/zinc/64/77/08/299647708.db2.gz ZFCRRSBXNYIHOG-OALUTQOASA-N 1 3 345.531 2.565 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000344568235 142041361 /nfs/dbraw/zinc/04/13/61/142041361.db2.gz DKRNPFYCURKCGY-HDICACEKSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000344568239 142041614 /nfs/dbraw/zinc/04/16/14/142041614.db2.gz DKRNPFYCURKCGY-ROUUACIJSA-N 1 3 343.515 2.683 20 0 EFADHO CCN1CCO[C@H](C[NH2+]C2CCN(C(C)C)CC2)[C@H]1c1ccccc1 ZINC000344839885 142086335 /nfs/dbraw/zinc/08/63/35/142086335.db2.gz CGCDZABRALCAFF-NHCUHLMSSA-N 1 3 345.531 2.911 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000346152667 142156223 /nfs/dbraw/zinc/15/62/23/142156223.db2.gz PJAHFQQYXGGKEP-CQSZACIVSA-N 1 3 331.460 2.955 20 0 EFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171833 142160731 /nfs/dbraw/zinc/16/07/31/142160731.db2.gz BJUNREMUSSWILH-FCEWJHQRSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171833 142160732 /nfs/dbraw/zinc/16/07/32/142160732.db2.gz BJUNREMUSSWILH-FCEWJHQRSA-N 1 3 329.488 2.551 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000346291979 142184698 /nfs/dbraw/zinc/18/46/98/142184698.db2.gz ROYPCZBEBCMXOF-AIANPOQGSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548458 142234361 /nfs/dbraw/zinc/23/43/61/142234361.db2.gz GTRYGKPRYMTEET-HRAATJIYSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548458 142234362 /nfs/dbraw/zinc/23/43/62/142234362.db2.gz GTRYGKPRYMTEET-HRAATJIYSA-N 1 3 349.478 2.930 20 0 EFADHO Cc1ccc(NC(=O)c2ccc3c(c2)CNC3)c(OCC[NH+](C)C)c1 ZINC000347681414 142255699 /nfs/dbraw/zinc/25/56/99/142255699.db2.gz JQDIXIUVKBTVGC-UHFFFAOYSA-N 1 3 339.439 2.791 20 0 EFADHO CCc1cc(CCC[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000347747084 142265847 /nfs/dbraw/zinc/26/58/47/142265847.db2.gz KCXUCYNDMLCNHJ-CALCHBBNSA-N 1 3 349.519 2.991 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347756000 142267309 /nfs/dbraw/zinc/26/73/09/142267309.db2.gz QTYCZQDUOZCSJQ-WSTZPKSXSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347756000 142267310 /nfs/dbraw/zinc/26/73/10/142267310.db2.gz QTYCZQDUOZCSJQ-WSTZPKSXSA-N 1 3 343.515 2.840 20 0 EFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)CN(C)C(C)C ZINC000347878338 142286078 /nfs/dbraw/zinc/28/60/78/142286078.db2.gz PMYMZGKSKVNVSR-UHFFFAOYSA-N 1 3 325.522 2.759 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNCc2cc(C(=O)OC)n(C)c2)cc1 ZINC000347916831 142292775 /nfs/dbraw/zinc/29/27/75/142292775.db2.gz GKCGROXJXKLKEW-UHFFFAOYSA-N 1 3 343.471 2.943 20 0 EFADHO O[C@H](CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000349331605 142321937 /nfs/dbraw/zinc/32/19/37/142321937.db2.gz MAFLETLDJQYMHI-YLFCFFPRSA-N 1 3 342.405 2.800 20 0 EFADHO CCCN(CCC[NH+](C)C)Cc1ccccc1N1CCN(CC)CC1 ZINC000349367641 142325038 /nfs/dbraw/zinc/32/50/38/142325038.db2.gz MLTJWQGVAOKNCK-UHFFFAOYSA-N 1 3 346.563 2.992 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000349593464 142339474 /nfs/dbraw/zinc/33/94/74/142339474.db2.gz ZWZMZYNVTWKZMU-APWZRJJASA-N 1 3 344.503 2.516 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)CN1CCCCC1 ZINC000349732272 142353186 /nfs/dbraw/zinc/35/31/86/142353186.db2.gz FVWOWNVRNBQJHL-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)c2nccs2)[C@@H](C)C1 ZINC000349843676 142366353 /nfs/dbraw/zinc/36/63/53/142366353.db2.gz XPVPOIRWEZOXHF-PMPSAXMXSA-N 1 3 325.522 2.973 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)c2nccs2)[C@@H](C)C1 ZINC000349843676 142366355 /nfs/dbraw/zinc/36/63/55/142366355.db2.gz XPVPOIRWEZOXHF-PMPSAXMXSA-N 1 3 325.522 2.973 20 0 EFADHO C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000349868169 142370314 /nfs/dbraw/zinc/37/03/14/142370314.db2.gz LYRQUMCJAILEPF-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@@H]1C ZINC000341143745 145000548 /nfs/dbraw/zinc/00/05/48/145000548.db2.gz VTXDBVJBHIPFBC-RDJZCZTQSA-N 1 3 334.460 2.543 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)C[C@@H]1C ZINC000341143745 145000550 /nfs/dbraw/zinc/00/05/50/145000550.db2.gz VTXDBVJBHIPFBC-RDJZCZTQSA-N 1 3 334.460 2.543 20 0 EFADHO C[C@H]1CCCC[C@H]1OCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341153904 145002475 /nfs/dbraw/zinc/00/24/75/145002475.db2.gz CZZUTMDGLCANTN-PKOBYXMFSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@H]1CCCC[C@H]1OCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341153904 145002476 /nfs/dbraw/zinc/00/24/76/145002476.db2.gz CZZUTMDGLCANTN-PKOBYXMFSA-N 1 3 325.541 2.540 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000341179619 145006808 /nfs/dbraw/zinc/00/68/08/145006808.db2.gz CBAFTBNKMWOSCX-LJQANCHMSA-N 1 3 342.483 2.853 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000341185939 145008359 /nfs/dbraw/zinc/00/83/59/145008359.db2.gz BYFDEQPQVMQOCG-MJGOQNOKSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000341185939 145008360 /nfs/dbraw/zinc/00/83/60/145008360.db2.gz BYFDEQPQVMQOCG-MJGOQNOKSA-N 1 3 346.519 2.551 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000341205036 145012399 /nfs/dbraw/zinc/01/23/99/145012399.db2.gz QGVKTQHGQOIXJG-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCN1C ZINC000341286319 145026453 /nfs/dbraw/zinc/02/64/53/145026453.db2.gz QYUXCCRKGZDBTO-JXFKEZNVSA-N 1 3 333.495 2.905 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCC(=O)Nc3ccc(Cl)cc3F)C[C@@H]21 ZINC000342100366 145062034 /nfs/dbraw/zinc/06/20/34/145062034.db2.gz JXPBCFPZDGWCAP-OSAQELSMSA-N 1 3 339.842 2.867 20 0 EFADHO Cn1ccnc1COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342129782 145067306 /nfs/dbraw/zinc/06/73/06/145067306.db2.gz HJMGHFBLSLBVPC-QXAKKESOSA-N 1 3 340.471 2.558 20 0 EFADHO Cn1ccnc1COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342129789 145067484 /nfs/dbraw/zinc/06/74/84/145067484.db2.gz HJMGHFBLSLBVPC-YTQUADARSA-N 1 3 340.471 2.558 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000342697601 145174072 /nfs/dbraw/zinc/17/40/72/145174072.db2.gz SJHNEOSAMXLUTA-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342709699 145176560 /nfs/dbraw/zinc/17/65/60/145176560.db2.gz PCGUVAPFVSUDAN-QGZVFWFLSA-N 1 3 343.515 2.833 20 0 EFADHO C[C@]1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000342715976 145178531 /nfs/dbraw/zinc/17/85/31/145178531.db2.gz DVTZQHLFZFMHJG-XLIONFOSSA-N 1 3 347.478 2.544 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000342716326 145178738 /nfs/dbraw/zinc/17/87/38/145178738.db2.gz COVDFZSXXUCVTO-FHWLQOOXSA-N 1 3 335.536 2.830 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342818324 145200395 /nfs/dbraw/zinc/20/03/95/145200395.db2.gz NLCKJZYKQJKPQN-UHFFFAOYSA-N 1 3 348.487 2.839 20 0 EFADHO CC[N@@H+]1C[C@H](C)[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930302 145223738 /nfs/dbraw/zinc/22/37/38/145223738.db2.gz SVCDGAQGYUGUBL-OXJNMPFZSA-N 1 3 331.504 2.643 20 0 EFADHO CC[N@H+]1C[C@H](C)[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930302 145223740 /nfs/dbraw/zinc/22/37/40/145223740.db2.gz SVCDGAQGYUGUBL-OXJNMPFZSA-N 1 3 331.504 2.643 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343601298 145249511 /nfs/dbraw/zinc/24/95/11/145249511.db2.gz LGTUZOXEQLRTKI-NZSAHSFTSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000343878662 145315036 /nfs/dbraw/zinc/31/50/36/145315036.db2.gz PXSWMTRTCXSJRV-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000343878663 145315303 /nfs/dbraw/zinc/31/53/03/145315303.db2.gz PXSWMTRTCXSJRV-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000344010341 145344602 /nfs/dbraw/zinc/34/46/02/145344602.db2.gz HQSXXLQMWHAGPH-UXHICEINSA-N 1 3 345.531 2.727 20 0 EFADHO CCCCO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344101602 145369009 /nfs/dbraw/zinc/36/90/09/145369009.db2.gz MNOOMKJOGBAYIP-KZNAEPCWSA-N 1 3 326.525 2.653 20 0 EFADHO CC(C)CO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344112595 145371018 /nfs/dbraw/zinc/37/10/18/145371018.db2.gz VCVSBPOHNPRTEB-OKZBNKHCSA-N 1 3 326.525 2.509 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(OCC)cc1 ZINC000344137276 145376835 /nfs/dbraw/zinc/37/68/35/145376835.db2.gz VVYNUQMSFVDGQG-UHFFFAOYSA-N 1 3 333.520 2.935 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(OCC)cc1 ZINC000344137276 145376836 /nfs/dbraw/zinc/37/68/36/145376836.db2.gz VVYNUQMSFVDGQG-UHFFFAOYSA-N 1 3 333.520 2.935 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)c(F)c1 ZINC000344146290 145378679 /nfs/dbraw/zinc/37/86/79/145378679.db2.gz PNODCFDSXBJNEW-UHFFFAOYSA-N 1 3 337.483 2.684 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(OC)c(F)c1 ZINC000344146290 145378681 /nfs/dbraw/zinc/37/86/81/145378681.db2.gz PNODCFDSXBJNEW-UHFFFAOYSA-N 1 3 337.483 2.684 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccccc1N(C)C ZINC000344154197 145380044 /nfs/dbraw/zinc/38/00/44/145380044.db2.gz IFKGLQPPWXAIQQ-UHFFFAOYSA-N 1 3 332.536 2.602 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccccc1N(C)C ZINC000344154197 145380047 /nfs/dbraw/zinc/38/00/47/145380047.db2.gz IFKGLQPPWXAIQQ-UHFFFAOYSA-N 1 3 332.536 2.602 20 0 EFADHO CCC[C@]1(CO)CCN(CC(C)C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344196176 145390224 /nfs/dbraw/zinc/39/02/24/145390224.db2.gz DSIOOYDNHQSZIF-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@]1(CO)CCN(CC(C)C[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344196176 145390226 /nfs/dbraw/zinc/39/02/26/145390226.db2.gz DSIOOYDNHQSZIF-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781425 146000699 /nfs/dbraw/zinc/00/06/99/146000699.db2.gz LVYKQXUONBRHHP-OALUTQOASA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781425 146000700 /nfs/dbraw/zinc/00/07/00/146000700.db2.gz LVYKQXUONBRHHP-OALUTQOASA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000348903235 146022218 /nfs/dbraw/zinc/02/22/18/146022218.db2.gz XICKKEXIKWWWSM-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000348903235 146022219 /nfs/dbraw/zinc/02/22/19/146022219.db2.gz XICKKEXIKWWWSM-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000348903239 146022667 /nfs/dbraw/zinc/02/26/67/146022667.db2.gz XICKKEXIKWWWSM-ZCNNSNEGSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000348903239 146022669 /nfs/dbraw/zinc/02/26/69/146022669.db2.gz XICKKEXIKWWWSM-ZCNNSNEGSA-N 1 3 343.515 2.697 20 0 EFADHO CCOc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000349031697 146039505 /nfs/dbraw/zinc/03/95/05/146039505.db2.gz LQHWAKOSUFBBOV-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1ccc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000349031697 146039506 /nfs/dbraw/zinc/03/95/06/146039506.db2.gz LQHWAKOSUFBBOV-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(C(C)(C)C)s1 ZINC000349074428 146047269 /nfs/dbraw/zinc/04/72/69/146047269.db2.gz NFTBAOWYJWCSQL-UHFFFAOYSA-N 1 3 338.565 2.898 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000351816917 146209426 /nfs/dbraw/zinc/20/94/26/146209426.db2.gz VGYXFAAAJDEIKM-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000351816917 146209427 /nfs/dbraw/zinc/20/94/27/146209427.db2.gz VGYXFAAAJDEIKM-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000351858590 146219334 /nfs/dbraw/zinc/21/93/34/146219334.db2.gz BATGJAWGIGHNEU-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000353016425 146375831 /nfs/dbraw/zinc/37/58/31/146375831.db2.gz AAJFTXHEJVVDBB-MRXNPFEDSA-N 1 3 348.478 2.871 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H]2CCCC(F)(F)C2)CC1 ZINC000353016410 146375942 /nfs/dbraw/zinc/37/59/42/146375942.db2.gz AAJFTXHEJVVDBB-INIZCTEOSA-N 1 3 348.478 2.871 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000356057182 147134623 /nfs/dbraw/zinc/13/46/23/147134623.db2.gz IOTTVJGUHIDLCI-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CSC1(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000356219072 147179694 /nfs/dbraw/zinc/17/96/94/147179694.db2.gz GIGWMSAHYHOHQK-CALCHBBNSA-N 1 3 325.566 2.763 20 0 EFADHO CSC1(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000356219072 147179695 /nfs/dbraw/zinc/17/96/95/147179695.db2.gz GIGWMSAHYHOHQK-CALCHBBNSA-N 1 3 325.566 2.763 20 0 EFADHO CN(CCc1ccc(F)cc1Cl)CC[N@H+](C)C1CCN(C)CC1 ZINC000356302898 147206262 /nfs/dbraw/zinc/20/62/62/147206262.db2.gz MTFADPMONKGOTA-UHFFFAOYSA-N 1 3 341.902 2.979 20 0 EFADHO CN(CCc1ccc(F)cc1Cl)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356302898 147206264 /nfs/dbraw/zinc/20/62/64/147206264.db2.gz MTFADPMONKGOTA-UHFFFAOYSA-N 1 3 341.902 2.979 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000356722413 147319541 /nfs/dbraw/zinc/31/95/41/147319541.db2.gz CKCWVTRMOQMRGG-OALUTQOASA-N 1 3 346.519 2.529 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000356722412 147319707 /nfs/dbraw/zinc/31/97/07/147319707.db2.gz CKCWVTRMOQMRGG-MOPGFXCFSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356860286 147356520 /nfs/dbraw/zinc/35/65/20/147356520.db2.gz YKBVXXVETDTZJO-WOJBJXKFSA-N 1 3 345.531 2.994 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@@H]3CCCOC3)cc2)CC1 ZINC000356895733 147365351 /nfs/dbraw/zinc/36/53/51/147365351.db2.gz KWOTVWJZERVSCI-WIYYLYMNSA-N 1 3 345.531 2.729 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359221688 148027125 /nfs/dbraw/zinc/02/71/25/148027125.db2.gz HQQMLPHISNGOHH-WBVHZDCISA-N 1 3 344.503 2.652 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359226046 148029347 /nfs/dbraw/zinc/02/93/47/148029347.db2.gz MWPGSWGVVLMFNC-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000359226046 148029349 /nfs/dbraw/zinc/02/93/49/148029349.db2.gz MWPGSWGVVLMFNC-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO CO[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000359411757 148078597 /nfs/dbraw/zinc/07/85/97/148078597.db2.gz FDPRAGRQOPJWFW-BURNTYAHSA-N 1 3 344.499 2.682 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359700605 148165690 /nfs/dbraw/zinc/16/56/90/148165690.db2.gz JDKDNNIXFLAKCZ-UXHICEINSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359700605 148165692 /nfs/dbraw/zinc/16/56/92/148165692.db2.gz JDKDNNIXFLAKCZ-UXHICEINSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000359851350 148207680 /nfs/dbraw/zinc/20/76/80/148207680.db2.gz BIRFNVORRUWNTC-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](CCC2CC2)CC1)Cc1ccccc1 ZINC000359883675 148214682 /nfs/dbraw/zinc/21/46/82/148214682.db2.gz XIFKDPHQQYFXHG-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000359943564 148230372 /nfs/dbraw/zinc/23/03/72/148230372.db2.gz QPHYMPIAJMBMFT-FYQPLNBISA-N 1 3 339.568 2.833 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(OC)CCCC2)CC1 ZINC000359962200 148236028 /nfs/dbraw/zinc/23/60/28/148236028.db2.gz CQXPBBZUGMZVLR-UHFFFAOYSA-N 1 3 345.531 2.873 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000360134329 148280157 /nfs/dbraw/zinc/28/01/57/148280157.db2.gz GEDVXAVERHMHPR-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000360134329 148280158 /nfs/dbraw/zinc/28/01/58/148280158.db2.gz GEDVXAVERHMHPR-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000360136762 148281056 /nfs/dbraw/zinc/28/10/56/148281056.db2.gz PXJZTLMJJHHBHW-HNNXBMFYSA-N 1 3 340.537 2.550 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000360136762 148281057 /nfs/dbraw/zinc/28/10/57/148281057.db2.gz PXJZTLMJJHHBHW-HNNXBMFYSA-N 1 3 340.537 2.550 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000365870936 286024767 /nfs/dbraw/zinc/02/47/67/286024767.db2.gz FHTCEISCBDYPIZ-HQRMLTQVSA-N 1 3 331.504 2.521 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000360289306 148321140 /nfs/dbraw/zinc/32/11/40/148321140.db2.gz AXFYYDFWKBNBJA-RBUKOAKNSA-N 1 3 349.519 2.779 20 0 EFADHO CC[N@H+](CCNC(=O)N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC000360543607 148388943 /nfs/dbraw/zinc/38/89/43/148388943.db2.gz CDLDMBZGNNYZEQ-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+](CCNC(=O)N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC000360543607 148388944 /nfs/dbraw/zinc/38/89/44/148388944.db2.gz CDLDMBZGNNYZEQ-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@H](C)C1 ZINC000361973759 286063574 /nfs/dbraw/zinc/06/35/74/286063574.db2.gz YMRNLEPGDRYOTP-MKXGPGLRSA-N 1 3 325.541 2.586 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2CC)[C@@H](C)C1 ZINC000361340398 286063105 /nfs/dbraw/zinc/06/31/05/286063105.db2.gz DDIHRWALZRDKFW-OTWHNJEPSA-N 1 3 325.541 2.587 20 0 EFADHO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1C ZINC000414205838 292195282 /nfs/dbraw/zinc/19/52/82/292195282.db2.gz XTLYCEYCAPBGGW-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000363796603 149013786 /nfs/dbraw/zinc/01/37/86/149013786.db2.gz RYEWIPBHVVCFHT-UHFFFAOYSA-N 1 3 329.532 2.969 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987874 149043037 /nfs/dbraw/zinc/04/30/37/149043037.db2.gz NOZHCWMHJJGLIK-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(CC2CCCCC2)CC1 ZINC000363987874 149043039 /nfs/dbraw/zinc/04/30/39/149043039.db2.gz NOZHCWMHJJGLIK-OALUTQOASA-N 1 3 348.535 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000364076903 149063589 /nfs/dbraw/zinc/06/35/89/149063589.db2.gz UZBNRKZOQDVDPA-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCC12CCN(C)CC2 ZINC000364076903 149063590 /nfs/dbraw/zinc/06/35/90/149063590.db2.gz UZBNRKZOQDVDPA-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000338293529 292200033 /nfs/dbraw/zinc/20/00/33/292200033.db2.gz INASGAUXLHDIOL-PKOBYXMFSA-N 1 3 346.519 2.771 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CS[C@H](C(C)(C)C)C3)C2)CC1 ZINC000364328490 149125688 /nfs/dbraw/zinc/12/56/88/149125688.db2.gz CNNYABXBPZIQHW-UXLLHSPISA-N 1 3 325.566 2.665 20 0 EFADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422829251 296622147 /nfs/dbraw/zinc/62/21/47/296622147.db2.gz BOFMWBVNOPCQAZ-FCGDIQPGSA-N 1 3 332.513 2.764 20 0 EFADHO CN(Cc1cccc2cccnc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367621682 149917300 /nfs/dbraw/zinc/91/73/00/149917300.db2.gz CBUWOAHSBUTBSD-HXUWFJFHSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1cccc2cccnc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367621682 149917302 /nfs/dbraw/zinc/91/73/02/149917302.db2.gz CBUWOAHSBUTBSD-HXUWFJFHSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000368105579 150038640 /nfs/dbraw/zinc/03/86/40/150038640.db2.gz UIMOFGIPJRCHDW-AYOQOUSVSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368140383 150048204 /nfs/dbraw/zinc/04/82/04/150048204.db2.gz KUESPFKSNFWZBC-KRWDZBQOSA-N 1 3 329.488 2.552 20 0 EFADHO CC[N@@H+]1CC[C@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@@H](C)C1 ZINC000368316433 150092935 /nfs/dbraw/zinc/09/29/35/150092935.db2.gz QLXDSHXVBFZVJX-LPHOPBHVSA-N 1 3 345.531 2.958 20 0 EFADHO CC[N@H+]1CC[C@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@@H](C)C1 ZINC000368316433 150092937 /nfs/dbraw/zinc/09/29/37/150092937.db2.gz QLXDSHXVBFZVJX-LPHOPBHVSA-N 1 3 345.531 2.958 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCCC3CCOCC3)CC2)CC1 ZINC000368493468 150132068 /nfs/dbraw/zinc/13/20/68/150132068.db2.gz IWEKPDZVSWQQEI-UHFFFAOYSA-N 1 3 337.552 2.684 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613226 150163595 /nfs/dbraw/zinc/16/35/95/150163595.db2.gz JJQJJQWKMRUTAY-ROUUACIJSA-N 1 3 334.508 2.858 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000368613226 150163597 /nfs/dbraw/zinc/16/35/97/150163597.db2.gz JJQJJQWKMRUTAY-ROUUACIJSA-N 1 3 334.508 2.858 20 0 EFADHO CSC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000368786492 150203882 /nfs/dbraw/zinc/20/38/82/150203882.db2.gz LQTPGUGRUFEJOX-MOPGFXCFSA-N 1 3 334.529 2.698 20 0 EFADHO CSC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000368786492 150203883 /nfs/dbraw/zinc/20/38/83/150203883.db2.gz LQTPGUGRUFEJOX-MOPGFXCFSA-N 1 3 334.529 2.698 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186408198 286198162 /nfs/dbraw/zinc/19/81/62/286198162.db2.gz HAGGYTVAELQXED-KRWDZBQOSA-N 1 3 336.476 2.778 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757152 296646769 /nfs/dbraw/zinc/64/67/69/296646769.db2.gz OOSPEOSHVSTGEK-CPUCHLNUSA-N 1 3 337.895 2.932 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@](O)(C2CC2)C1)C1CCN(C)CC1 ZINC000373323657 151152995 /nfs/dbraw/zinc/15/29/95/151152995.db2.gz MGAGNZYNORLIJN-OAQYLSRUSA-N 1 3 343.515 2.564 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@](O)(C2CC2)C1)C1CCN(C)CC1 ZINC000373323657 151152998 /nfs/dbraw/zinc/15/29/98/151152998.db2.gz MGAGNZYNORLIJN-OAQYLSRUSA-N 1 3 343.515 2.564 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C23CCCN2CCC3)CC1 ZINC000373372252 151159685 /nfs/dbraw/zinc/15/96/85/151159685.db2.gz DMPGYCYEHKOIFU-QGZVFWFLSA-N 1 3 341.499 2.957 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000373372252 151159688 /nfs/dbraw/zinc/15/96/88/151159688.db2.gz DMPGYCYEHKOIFU-QGZVFWFLSA-N 1 3 341.499 2.957 20 0 EFADHO CCNC(=O)CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374067435 151278641 /nfs/dbraw/zinc/27/86/41/151278641.db2.gz SIASANXNJDVNHG-FQEVSTJZSA-N 1 3 329.488 2.501 20 0 EFADHO CCNC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374067435 151278643 /nfs/dbraw/zinc/27/86/43/151278643.db2.gz SIASANXNJDVNHG-FQEVSTJZSA-N 1 3 329.488 2.501 20 0 EFADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000374163071 151294811 /nfs/dbraw/zinc/29/48/11/151294811.db2.gz OELUKUSEACYABD-RBUKOAKNSA-N 1 3 330.472 2.751 20 0 EFADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000374163071 151294815 /nfs/dbraw/zinc/29/48/15/151294815.db2.gz OELUKUSEACYABD-RBUKOAKNSA-N 1 3 330.472 2.751 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@@H]3CN)cc2c(OC)c1 ZINC000422865027 286249877 /nfs/dbraw/zinc/24/98/77/286249877.db2.gz ODWMEMMVCQHMJS-DYVFJYSZSA-N 1 3 331.460 2.835 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000374281670 151314048 /nfs/dbraw/zinc/31/40/48/151314048.db2.gz YPKVENUOFDVMCC-FQEVSTJZSA-N 1 3 339.487 2.544 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccn1C ZINC000374286831 151314763 /nfs/dbraw/zinc/31/47/63/151314763.db2.gz ZVBBNCKHWBAUBO-UHFFFAOYSA-N 1 3 332.536 2.653 20 0 EFADHO CCn1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000374286619 151315341 /nfs/dbraw/zinc/31/53/41/151315341.db2.gz YPUJVYMUOCBPPW-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO CSc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374299983 151318024 /nfs/dbraw/zinc/31/80/24/151318024.db2.gz ZXSLQAKPPTTXSI-APWZRJJASA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000374299983 151318026 /nfs/dbraw/zinc/31/80/26/151318026.db2.gz ZXSLQAKPPTTXSI-APWZRJJASA-N 1 3 333.545 2.866 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374325871 151324118 /nfs/dbraw/zinc/32/41/18/151324118.db2.gz CUESXFKJYJSLFD-AZUAARDMSA-N 1 3 330.520 2.725 20 0 EFADHO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000374530142 151363541 /nfs/dbraw/zinc/36/35/41/151363541.db2.gz ZZGDKEITOOHQOY-QRFRQXIXSA-N 1 3 348.487 2.616 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCCC2 ZINC000181468121 286277600 /nfs/dbraw/zinc/27/76/00/286277600.db2.gz BCLQXMPHIONUNT-RTBURBONSA-N 1 3 337.552 2.730 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)N2CCCC2)cc1 ZINC000342699863 292254272 /nfs/dbraw/zinc/25/42/72/292254272.db2.gz WECZSUHGGNLSTO-WDSOQIARSA-N 1 3 329.488 2.636 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320861 286357082 /nfs/dbraw/zinc/35/70/82/286357082.db2.gz QKRHZSRWVBCMQJ-ZWKOTPCHSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320861 286357083 /nfs/dbraw/zinc/35/70/83/286357083.db2.gz QKRHZSRWVBCMQJ-ZWKOTPCHSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320861 286357084 /nfs/dbraw/zinc/35/70/84/286357084.db2.gz QKRHZSRWVBCMQJ-ZWKOTPCHSA-N 1 3 328.460 2.580 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(F)cc1N(C)C ZINC000166030868 286443164 /nfs/dbraw/zinc/44/31/64/286443164.db2.gz LVTKQKQJVDYKNR-GDBMZVCRSA-N 1 3 325.472 2.899 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416837686 298388348 /nfs/dbraw/zinc/38/83/48/298388348.db2.gz IHRHRBVIAQNXDQ-CABCVRRESA-N 1 3 338.521 2.702 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000430926386 286907953 /nfs/dbraw/zinc/90/79/53/286907953.db2.gz ODMFUOFETQUUET-HNDBUQABSA-N 1 3 333.520 2.519 20 0 EFADHO C[C@@H]([NH2+]CC1(N)CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423179315 287018492 /nfs/dbraw/zinc/01/84/92/287018492.db2.gz LXHMEAYOWIZUFW-MJGOQNOKSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000341757496 287267125 /nfs/dbraw/zinc/26/71/25/287267125.db2.gz KNPTYGWPNOCJHN-ZACQAIPSSA-N 1 3 330.538 2.586 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000237343570 287276547 /nfs/dbraw/zinc/27/65/47/287276547.db2.gz VDEHWQFQVRGJDA-APWZRJJASA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000237343570 287276551 /nfs/dbraw/zinc/27/65/51/287276551.db2.gz VDEHWQFQVRGJDA-APWZRJJASA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000090219307 544530719 /nfs/dbraw/zinc/53/07/19/544530719.db2.gz WASVIOBSJMYJFS-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683417 544554873 /nfs/dbraw/zinc/55/48/73/544554873.db2.gz KRQKWXQXEKNJOY-FQEVSTJZSA-N 1 3 345.531 2.935 20 0 EFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCc2c1cnn2C ZINC000093863750 544555863 /nfs/dbraw/zinc/55/58/63/544555863.db2.gz AFEGOWZDHSBTMM-LJQANCHMSA-N 1 3 342.487 2.870 20 0 EFADHO CN1CCCN(CCC[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000127716711 544633666 /nfs/dbraw/zinc/63/36/66/544633666.db2.gz OGPNVVCUBWNCOA-UHFFFAOYSA-N 1 3 338.499 2.866 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162519932 544827241 /nfs/dbraw/zinc/82/72/41/544827241.db2.gz BZGICPOMLJTWNK-UHFFFAOYSA-N 1 3 347.400 2.962 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162519932 544827246 /nfs/dbraw/zinc/82/72/46/544827246.db2.gz BZGICPOMLJTWNK-UHFFFAOYSA-N 1 3 347.400 2.962 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000158546018 544787607 /nfs/dbraw/zinc/78/76/07/544787607.db2.gz UEGHXPPTNIZCPE-HXUWFJFHSA-N 1 3 349.494 2.663 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC2([NH3+])CCC2)c2cccs2)CC1 ZINC000163579181 544836393 /nfs/dbraw/zinc/83/63/93/544836393.db2.gz IYQGFSXIBGQPJJ-OAHLLOKOSA-N 1 3 335.517 2.909 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166296746 544850211 /nfs/dbraw/zinc/85/02/11/544850211.db2.gz WTMSOTCSDVXERA-RTBURBONSA-N 1 3 344.499 2.960 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166296746 544850217 /nfs/dbraw/zinc/85/02/17/544850217.db2.gz WTMSOTCSDVXERA-RTBURBONSA-N 1 3 344.499 2.960 20 0 EFADHO FC(F)(F)CN1CCC(CC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000166774879 544851650 /nfs/dbraw/zinc/85/16/50/544851650.db2.gz SYLQIDHRFOLTJP-CVEARBPZSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000166774879 544851654 /nfs/dbraw/zinc/85/16/54/544851654.db2.gz SYLQIDHRFOLTJP-CVEARBPZSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000166774879 544851658 /nfs/dbraw/zinc/85/16/58/544851658.db2.gz SYLQIDHRFOLTJP-CVEARBPZSA-N 1 3 333.442 2.867 20 0 EFADHO CCCCNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184746183 265025322 /nfs/dbraw/zinc/02/53/22/265025322.db2.gz HFAVQMQDNGSOFS-IAGOWNOFSA-N 1 3 331.504 2.649 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCOCC2 ZINC000186213313 265058854 /nfs/dbraw/zinc/05/88/54/265058854.db2.gz PKAYRHXHCNPTIR-MOPGFXCFSA-N 1 3 332.488 2.812 20 0 EFADHO CN(C)CCN1CCC([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000186586821 265072588 /nfs/dbraw/zinc/07/25/88/265072588.db2.gz WEACBUGYNBCINB-UHFFFAOYSA-N 1 3 335.458 2.971 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000189642724 265195906 /nfs/dbraw/zinc/19/59/06/265195906.db2.gz QJBNTMLKLFOVRG-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO Cc1c([C@@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1C(C)(C)C ZINC000191328078 265260260 /nfs/dbraw/zinc/26/02/60/265260260.db2.gz SBGPBIUYDSKRPG-OAHLLOKOSA-N 1 3 335.540 2.623 20 0 EFADHO Cc1ccncc1[C@H](C)[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000271626005 266024862 /nfs/dbraw/zinc/02/48/62/266024862.db2.gz ZELWOTVNJKJXEQ-SFHVURJKSA-N 1 3 339.487 2.648 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(OCCN(C)C)cc1 ZINC000271707810 266045975 /nfs/dbraw/zinc/04/59/75/266045975.db2.gz MKGLOVWGMRNETO-QFBILLFUSA-N 1 3 348.487 2.963 20 0 EFADHO C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271707810 266045977 /nfs/dbraw/zinc/04/59/77/266045977.db2.gz MKGLOVWGMRNETO-QFBILLFUSA-N 1 3 348.487 2.963 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(OC)cn2)CC1 ZINC000271791021 266061739 /nfs/dbraw/zinc/06/17/39/266061739.db2.gz AFVUAWZCNFRMOT-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(OC)cn2)CC1 ZINC000271791021 266061740 /nfs/dbraw/zinc/06/17/40/266061740.db2.gz AFVUAWZCNFRMOT-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000271844226 266076325 /nfs/dbraw/zinc/07/63/25/266076325.db2.gz LENCTNSMWDQIOC-PZJWPPBQSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000271871465 266084217 /nfs/dbraw/zinc/08/42/17/266084217.db2.gz MUONVTMRIDPQCB-AWEZNQCLSA-N 1 3 328.460 2.883 20 0 EFADHO COCCn1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272205153 266188902 /nfs/dbraw/zinc/18/89/02/266188902.db2.gz PGLNTHPKGGKCBX-XLIONFOSSA-N 1 3 342.487 2.530 20 0 EFADHO C[C@H]([NH2+]Cc1cnc2cnccn12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272251743 266205326 /nfs/dbraw/zinc/20/53/26/266205326.db2.gz YMWBOSGCNWFPDE-FUHWJXTLSA-N 1 3 335.455 2.730 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280927 266213884 /nfs/dbraw/zinc/21/38/84/266213884.db2.gz MSCPGURFNRYQSZ-YTQUADARSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280927 266213888 /nfs/dbraw/zinc/21/38/88/266213888.db2.gz MSCPGURFNRYQSZ-YTQUADARSA-N 1 3 331.504 2.599 20 0 EFADHO COCCN1CCC([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272319081 266227745 /nfs/dbraw/zinc/22/77/45/266227745.db2.gz KPKVUTNXEVIKGY-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@@H](C)O1 ZINC000272327740 266230650 /nfs/dbraw/zinc/23/06/50/266230650.db2.gz LVHRRSYQXHNONK-IAGOWNOFSA-N 1 3 332.488 2.500 20 0 EFADHO C[C@@H]([NH2+]CCN1CCSCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272446558 266268649 /nfs/dbraw/zinc/26/86/49/266268649.db2.gz JGDSGINLUZYVNV-MJGOQNOKSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H](NCCN1CCSCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272446558 266268653 /nfs/dbraw/zinc/26/86/53/266268653.db2.gz JGDSGINLUZYVNV-MJGOQNOKSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H](NCCN1CCSCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272446558 266268656 /nfs/dbraw/zinc/26/86/56/266268656.db2.gz JGDSGINLUZYVNV-MJGOQNOKSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)c1ccco1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272657364 266340955 /nfs/dbraw/zinc/34/09/55/266340955.db2.gz LWWKEPAKCZWWAF-FUHWJXTLSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H](NCCNC(=O)c1ccco1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657364 266340958 /nfs/dbraw/zinc/34/09/58/266340958.db2.gz LWWKEPAKCZWWAF-FUHWJXTLSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@H](NCCNC(=O)c1ccco1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657364 266340962 /nfs/dbraw/zinc/34/09/62/266340962.db2.gz LWWKEPAKCZWWAF-FUHWJXTLSA-N 1 3 341.455 2.510 20 0 EFADHO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272664243 266343461 /nfs/dbraw/zinc/34/34/61/266343461.db2.gz RZOXAUZKJOVAMB-ZJSJBZJDSA-N 1 3 327.516 2.969 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272664237 266344023 /nfs/dbraw/zinc/34/40/23/266344023.db2.gz RZOXAUZKJOVAMB-FKPGQJDZSA-N 1 3 327.516 2.969 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669285 266344696 /nfs/dbraw/zinc/34/46/96/266344696.db2.gz PBNSOTMYRDQZJI-LCLWPZTBSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669285 266344698 /nfs/dbraw/zinc/34/46/98/266344698.db2.gz PBNSOTMYRDQZJI-LCLWPZTBSA-N 1 3 332.488 2.681 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272687082 266351085 /nfs/dbraw/zinc/35/10/85/266351085.db2.gz BSGQJLLRSBOPRR-INIZCTEOSA-N 1 3 344.503 2.588 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000272687082 266351086 /nfs/dbraw/zinc/35/10/86/266351086.db2.gz BSGQJLLRSBOPRR-INIZCTEOSA-N 1 3 344.503 2.588 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272789681 266382755 /nfs/dbraw/zinc/38/27/55/266382755.db2.gz CFYHAZUOGYUAMH-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272789681 266382756 /nfs/dbraw/zinc/38/27/56/266382756.db2.gz CFYHAZUOGYUAMH-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103211657 273000940 /nfs/dbraw/zinc/00/09/40/273000940.db2.gz HEXZFORTNBUWID-UHFFFAOYSA-N 1 3 332.275 2.559 20 0 EFADHO O=C1CCN(C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000273047809 266443249 /nfs/dbraw/zinc/44/32/49/266443249.db2.gz HFDUKQDXDXHBDQ-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO Cc1ccc2cc(CNCC3(O)CC[NH+](C(C)C)CC3)ccc2n1 ZINC000275575431 266835712 /nfs/dbraw/zinc/83/57/12/266835712.db2.gz HGRBXJRKLUNQNM-UHFFFAOYSA-N 1 3 327.472 2.868 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000275590395 266837765 /nfs/dbraw/zinc/83/77/65/266837765.db2.gz JJSIARKUAFCKKY-GOSISDBHSA-N 1 3 344.503 2.607 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000108547887 273010244 /nfs/dbraw/zinc/01/02/44/273010244.db2.gz BSFMJTQXNKSVEP-SJLPKXTDSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000276831387 267057529 /nfs/dbraw/zinc/05/75/29/267057529.db2.gz BMVVUXKWJLGDHM-ROUUACIJSA-N 1 3 349.544 2.598 20 0 EFADHO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000276831385 267057853 /nfs/dbraw/zinc/05/78/53/267057853.db2.gz BMVVUXKWJLGDHM-QZTJIDSGSA-N 1 3 349.544 2.598 20 0 EFADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CS1 ZINC000276831390 267058134 /nfs/dbraw/zinc/05/81/34/267058134.db2.gz BMVVUXKWJLGDHM-ZWKOTPCHSA-N 1 3 349.544 2.598 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000277100745 267113678 /nfs/dbraw/zinc/11/36/78/267113678.db2.gz CKWMKCMZWVAHEE-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+]1CCC(NC[C@@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277186561 267127301 /nfs/dbraw/zinc/12/73/01/267127301.db2.gz UJQWRNSOKJMFKX-LJQANCHMSA-N 1 3 333.545 2.678 20 0 EFADHO CC(C)N(C)c1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cn1 ZINC000277701319 267238233 /nfs/dbraw/zinc/23/82/33/267238233.db2.gz IAMWWHWKPLVBEM-KRWDZBQOSA-N 1 3 334.508 2.517 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000174016015 273027124 /nfs/dbraw/zinc/02/71/24/273027124.db2.gz DYDZBTDWQRBCPI-ROUUACIJSA-N 1 3 343.515 2.948 20 0 EFADHO CCN1CCN(CCC[NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000189040150 273058815 /nfs/dbraw/zinc/05/88/15/273058815.db2.gz LFGJTOWOYSWCMO-UHFFFAOYSA-N 1 3 325.541 2.591 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269615232 273085977 /nfs/dbraw/zinc/08/59/77/273085977.db2.gz BUGCEOPBZCCXSK-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269615232 273085978 /nfs/dbraw/zinc/08/59/78/273085978.db2.gz BUGCEOPBZCCXSK-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000271528059 273104608 /nfs/dbraw/zinc/10/46/08/273104608.db2.gz PGCUSYYFSAWJOP-HNNXBMFYSA-N 1 3 341.455 2.903 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277080876 273146239 /nfs/dbraw/zinc/14/62/39/273146239.db2.gz XXDLVYAIPKNHLE-NZSAHSFTSA-N 1 3 342.483 2.972 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277080876 273146240 /nfs/dbraw/zinc/14/62/40/273146240.db2.gz XXDLVYAIPKNHLE-NZSAHSFTSA-N 1 3 342.483 2.972 20 0 EFADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000279267533 273195583 /nfs/dbraw/zinc/19/55/83/273195583.db2.gz WFHYSLPIONDBOY-APWZRJJASA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000279267533 273195585 /nfs/dbraw/zinc/19/55/85/273195585.db2.gz WFHYSLPIONDBOY-APWZRJJASA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279273958 273196346 /nfs/dbraw/zinc/19/63/46/273196346.db2.gz NSEAXGKEJLETIF-FUHIMQAGSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)C12CCCN1CCC2)c1ccccc1 ZINC000279537742 273225753 /nfs/dbraw/zinc/22/57/53/273225753.db2.gz WOPJNPKPOOTGNG-MRXNPFEDSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000279796321 273254448 /nfs/dbraw/zinc/25/44/48/273254448.db2.gz VYBCUEABAJUBKH-BBTUJRGHSA-N 1 3 346.515 2.931 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCCN(C)C)[C@@H]1C ZINC000279849682 273260535 /nfs/dbraw/zinc/26/05/35/273260535.db2.gz IGUUUAIDKXDKEJ-RYRKJORJSA-N 1 3 348.487 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000279994790 273278896 /nfs/dbraw/zinc/27/88/96/273278896.db2.gz RIOKASBCGFKTJT-IEZWGBDMSA-N 1 3 348.487 2.694 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280153337 273296741 /nfs/dbraw/zinc/29/67/41/273296741.db2.gz AMVFTRNJOHFWBW-FQEVSTJZSA-N 1 3 330.520 2.930 20 0 EFADHO O[C@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000280482987 273332832 /nfs/dbraw/zinc/33/28/32/273332832.db2.gz PTRAQTMSARSHOP-SVFBPWRDSA-N 1 3 340.442 2.923 20 0 EFADHO O[C@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000280482987 273332834 /nfs/dbraw/zinc/33/28/34/273332834.db2.gz PTRAQTMSARSHOP-SVFBPWRDSA-N 1 3 340.442 2.923 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000280871112 273375837 /nfs/dbraw/zinc/37/58/37/273375837.db2.gz ODPIDODMKBDMRU-VELGLUOQSA-N 1 3 341.499 2.545 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000280894156 273378522 /nfs/dbraw/zinc/37/85/22/273378522.db2.gz BCOMMIJAJSXYBQ-LJQANCHMSA-N 1 3 346.519 2.725 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282295172 273542234 /nfs/dbraw/zinc/54/22/34/273542234.db2.gz SIOGLFPBLRTPBH-LAUBAEHRSA-N 1 3 346.515 2.938 20 0 EFADHO Cc1ccccc1C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)C1CC1 ZINC000284522906 273850183 /nfs/dbraw/zinc/85/01/83/273850183.db2.gz WTACWANPFNZJND-OAQYLSRUSA-N 1 3 329.532 2.932 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1cn[nH]c1 ZINC000285366449 273986537 /nfs/dbraw/zinc/98/65/37/273986537.db2.gz VUGRAYDNJXSWGF-KRWDZBQOSA-N 1 3 327.476 2.663 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285515447 274015912 /nfs/dbraw/zinc/01/59/12/274015912.db2.gz NXBLNPVOWARXBI-SJPCQFCGSA-N 1 3 349.906 2.903 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285515447 274015914 /nfs/dbraw/zinc/01/59/14/274015914.db2.gz NXBLNPVOWARXBI-SJPCQFCGSA-N 1 3 349.906 2.903 20 0 EFADHO COCC[C@@](C)(O)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183143160 274039782 /nfs/dbraw/zinc/03/97/82/274039782.db2.gz UVTMBYNTKVDGNZ-XSDIEEQYSA-N 1 3 346.515 2.664 20 0 EFADHO CC(C)[N@@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000285824042 274081632 /nfs/dbraw/zinc/08/16/32/274081632.db2.gz BLBGRWBZMCTLHX-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO CC(C)[N@H+]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000285824042 274081633 /nfs/dbraw/zinc/08/16/33/274081633.db2.gz BLBGRWBZMCTLHX-UHFFFAOYSA-N 1 3 344.547 2.615 20 0 EFADHO OCCOCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000285934388 274103225 /nfs/dbraw/zinc/10/32/25/274103225.db2.gz CZSYMBKGOQCLSP-PCCBWWKXSA-N 1 3 346.515 2.666 20 0 EFADHO OC1CCC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000285935734 274103432 /nfs/dbraw/zinc/10/34/32/274103432.db2.gz FMSSVWJJFWSDIE-UHFFFAOYSA-N 1 3 346.515 2.951 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423271823 274161752 /nfs/dbraw/zinc/16/17/52/274161752.db2.gz YFQIUXYHSWFNNN-PBHICJAKSA-N 1 3 333.476 2.910 20 0 EFADHO C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)[NH3+] ZINC000286268680 274165894 /nfs/dbraw/zinc/16/58/94/274165894.db2.gz VYHNPNPAIWBQLG-OLZOCXBDSA-N 1 3 345.409 2.579 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(c2nc3ccccc3s2)CC1 ZINC000422944454 274307793 /nfs/dbraw/zinc/30/77/93/274307793.db2.gz MGSFLOHFEMXFOA-CZUORRHYSA-N 1 3 330.501 2.853 20 0 EFADHO C[C@@H]1CC[C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000128133185 274312888 /nfs/dbraw/zinc/31/28/88/274312888.db2.gz LOTLFCQKGCMQEI-JTDSTZFVSA-N 1 3 329.488 2.802 20 0 EFADHO C[C@@H]1CC[C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000128133185 274312889 /nfs/dbraw/zinc/31/28/89/274312889.db2.gz LOTLFCQKGCMQEI-JTDSTZFVSA-N 1 3 329.488 2.802 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000069451970 274347329 /nfs/dbraw/zinc/34/73/29/274347329.db2.gz SRBYODDMNUKZRQ-HLIPFELVSA-N 1 3 332.488 2.541 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119487319 274398542 /nfs/dbraw/zinc/39/85/42/274398542.db2.gz RGNTVPQFPPGVQI-SCTDSRPQSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119487319 274398543 /nfs/dbraw/zinc/39/85/43/274398543.db2.gz RGNTVPQFPPGVQI-SCTDSRPQSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1CCN(C)C ZINC000287345275 274399811 /nfs/dbraw/zinc/39/98/11/274399811.db2.gz PNWAQDSBTOGXAH-FUHWJXTLSA-N 1 3 344.503 2.881 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287872489 274498098 /nfs/dbraw/zinc/49/80/98/274498098.db2.gz XZMJARWYPBAZAO-ZBFHGGJFSA-N 1 3 346.393 2.827 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000288177106 274542052 /nfs/dbraw/zinc/54/20/52/274542052.db2.gz PLVPJMVPRYPDIA-UHOSZYNNSA-N 1 3 346.519 2.804 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289549220 274780266 /nfs/dbraw/zinc/78/02/66/274780266.db2.gz PYQGZCYVJKBKEL-UHFFFAOYSA-N 1 3 345.409 2.527 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000422756317 274793511 /nfs/dbraw/zinc/79/35/11/274793511.db2.gz HUNQVRCJIKOZDM-IPMKNSEASA-N 1 3 328.504 2.869 20 0 EFADHO C(CN1CCC2(CCCCC2)CC1)N[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423096124 275390939 /nfs/dbraw/zinc/39/09/39/275390939.db2.gz GXHGTCWVYLWSMG-HSALFYBXSA-N 1 3 349.563 2.779 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000417018399 276056555 /nfs/dbraw/zinc/05/65/55/276056555.db2.gz HTSZQHSEVQCUSF-APWZRJJASA-N 1 3 346.519 2.983 20 0 EFADHO CCN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000363059225 276060149 /nfs/dbraw/zinc/06/01/49/276060149.db2.gz CZEBWVVLFLTEEV-FDRWKTFPSA-N 1 3 329.488 2.788 20 0 EFADHO CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000444156452 276063650 /nfs/dbraw/zinc/06/36/50/276063650.db2.gz BJRUQZZTNXZPEX-RBAQFSTRSA-N 1 3 341.499 2.670 20 0 EFADHO CCN(C(=O)[C@H](C[NH3+])C(C)C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000433116889 276064296 /nfs/dbraw/zinc/06/42/96/276064296.db2.gz MFHUZNJLRACGIS-NZSAHSFTSA-N 1 3 331.504 2.901 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000101972893 276127361 /nfs/dbraw/zinc/12/73/61/276127361.db2.gz OWQAQDIJLRRYDD-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000101972893 276127362 /nfs/dbraw/zinc/12/73/62/276127362.db2.gz OWQAQDIJLRRYDD-IBGZPJMESA-N 1 3 344.503 2.607 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000163575395 276199561 /nfs/dbraw/zinc/19/95/61/276199561.db2.gz ARJXIPNRLYAVBN-CRAIPNDOSA-N 1 3 335.517 2.637 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCN(C)CC2)CC1 ZINC000127241746 276202887 /nfs/dbraw/zinc/20/28/87/276202887.db2.gz FUHQTPZQGBCJAR-MRXNPFEDSA-N 1 3 348.510 2.712 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC2CC[NH+](C)CC2)CC1 ZINC000127241746 276202888 /nfs/dbraw/zinc/20/28/88/276202888.db2.gz FUHQTPZQGBCJAR-MRXNPFEDSA-N 1 3 348.510 2.712 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000366501145 276217048 /nfs/dbraw/zinc/21/70/48/276217048.db2.gz RNDNHLYDFNNVPS-FXUDXRNXSA-N 1 3 343.487 2.654 20 0 EFADHO CC[N@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000366501145 276217049 /nfs/dbraw/zinc/21/70/49/276217049.db2.gz RNDNHLYDFNNVPS-FXUDXRNXSA-N 1 3 343.487 2.654 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434359119 276323825 /nfs/dbraw/zinc/32/38/25/276323825.db2.gz UJTIUGSBSHGRFM-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414510325 276388718 /nfs/dbraw/zinc/38/87/18/276388718.db2.gz DSYBCBCSBQSFIS-LMMKCTJWSA-N 1 3 331.504 2.732 20 0 EFADHO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414204014 276585060 /nfs/dbraw/zinc/58/50/60/276585060.db2.gz VYBPVOAHLVIXPC-OTWHNJEPSA-N 1 3 337.552 2.587 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193979681 276763155 /nfs/dbraw/zinc/76/31/55/276763155.db2.gz YJBZRKFCCYXNHH-GUDVDZBRSA-N 1 3 330.472 2.674 20 0 EFADHO C[NH2+]CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763280 277021731 /nfs/dbraw/zinc/02/17/31/277021731.db2.gz IBRHIAXSMVEXDV-HXUWFJFHSA-N 1 3 329.488 2.501 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000415900318 277034272 /nfs/dbraw/zinc/03/42/72/277034272.db2.gz LFDXXKQUTUPOLS-OAHLLOKOSA-N 1 3 330.476 2.744 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344721240 277041263 /nfs/dbraw/zinc/04/12/63/277041263.db2.gz RPYSLUXLPPDXGD-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344721240 277041265 /nfs/dbraw/zinc/04/12/65/277041265.db2.gz RPYSLUXLPPDXGD-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000360787498 277043722 /nfs/dbraw/zinc/04/37/22/277043722.db2.gz PDQKCPLJVNTRFP-QGZVFWFLSA-N 1 3 331.508 2.668 20 0 EFADHO COC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCCCC1 ZINC000361557765 277184961 /nfs/dbraw/zinc/18/49/61/277184961.db2.gz SGXVXIVVNLHECJ-OALUTQOASA-N 1 3 337.552 2.826 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)CC1 ZINC000418683071 277340505 /nfs/dbraw/zinc/34/05/05/277340505.db2.gz FWJDXHANQMMRJC-AOCRQIFASA-N 1 3 338.540 2.656 20 0 EFADHO COC(C)(C)[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000340207611 277459883 /nfs/dbraw/zinc/45/98/83/277459883.db2.gz VKRXHMHQTXUUGC-SFHVURJKSA-N 1 3 333.520 2.992 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)c2ccccc2C1 ZINC000368019243 278056561 /nfs/dbraw/zinc/05/65/61/278056561.db2.gz LZRIVBIPQAWBJY-HBFSDRIKSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000423100854 278216919 /nfs/dbraw/zinc/21/69/19/278216919.db2.gz HTMXHLCEXAJBAX-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423418992 278265933 /nfs/dbraw/zinc/26/59/33/278265933.db2.gz ICUKRNPCVQVKOB-WMZOPIPTSA-N 1 3 329.488 2.657 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438551326 278267158 /nfs/dbraw/zinc/26/71/58/278267158.db2.gz FFRDDJGWFXAHLC-MJQMVNBJSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438551326 278267160 /nfs/dbraw/zinc/26/71/60/278267160.db2.gz FFRDDJGWFXAHLC-MJQMVNBJSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000455431706 278274913 /nfs/dbraw/zinc/27/49/13/278274913.db2.gz LYOCLRFIRREBHS-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000455431706 278274914 /nfs/dbraw/zinc/27/49/14/278274914.db2.gz LYOCLRFIRREBHS-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000247140467 278287221 /nfs/dbraw/zinc/28/72/21/278287221.db2.gz SGIBKSMAPPBPHB-BNDYYXHWSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000247140467 278287222 /nfs/dbraw/zinc/28/72/22/278287222.db2.gz SGIBKSMAPPBPHB-BNDYYXHWSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000423408184 278318822 /nfs/dbraw/zinc/31/88/22/278318822.db2.gz ODDMHOVSDQFPGD-JKSUJKDBSA-N 1 3 325.456 2.957 20 0 EFADHO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000180998595 278350597 /nfs/dbraw/zinc/35/05/97/278350597.db2.gz LOGOPSJINHKXIG-HOTGVXAUSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310519653 278361740 /nfs/dbraw/zinc/36/17/40/278361740.db2.gz NGRMXKKDNQSKGF-RYRKJORJSA-N 1 3 331.504 2.790 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042908327 278857720 /nfs/dbraw/zinc/85/77/20/278857720.db2.gz ZKLICEZEUSOYGR-UHFFFAOYSA-N 1 3 326.529 2.525 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000431976680 279120314 /nfs/dbraw/zinc/12/03/14/279120314.db2.gz GHOQDOZVDLWMJI-RYRKJORJSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418448845 279140354 /nfs/dbraw/zinc/14/03/54/279140354.db2.gz SIVZLAPKXYTJKD-HZPDHXFCSA-N 1 3 340.899 2.615 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000368533829 279226731 /nfs/dbraw/zinc/22/67/31/279226731.db2.gz HLDNKUWUXWERDX-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1)C1CC1 ZINC000354018399 279234700 /nfs/dbraw/zinc/23/47/00/279234700.db2.gz FTSYIMDRIPUNAH-INIZCTEOSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1)C1CC1 ZINC000354018399 279234701 /nfs/dbraw/zinc/23/47/01/279234701.db2.gz FTSYIMDRIPUNAH-INIZCTEOSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418679658 279254433 /nfs/dbraw/zinc/25/44/33/279254433.db2.gz WXIVRWQXWHJZKX-CJNGLKHVSA-N 1 3 340.899 2.759 20 0 EFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437771186 279261224 /nfs/dbraw/zinc/26/12/24/279261224.db2.gz IAUSMEVBMRNAGM-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437771186 279261227 /nfs/dbraw/zinc/26/12/27/279261227.db2.gz IAUSMEVBMRNAGM-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303488052 279272023 /nfs/dbraw/zinc/27/20/23/279272023.db2.gz RPDXIZOTSFWBFF-SCTDSRPQSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000359648693 279277493 /nfs/dbraw/zinc/27/74/93/279277493.db2.gz JDKSYMMLRYIIEO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000359648693 279277496 /nfs/dbraw/zinc/27/74/96/279277496.db2.gz JDKSYMMLRYIIEO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCCC2 ZINC000357072704 279328847 /nfs/dbraw/zinc/32/88/47/279328847.db2.gz QWAFEZCSAQPICM-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CC12CCCCC2 ZINC000357072704 279328848 /nfs/dbraw/zinc/32/88/48/279328848.db2.gz QWAFEZCSAQPICM-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000181944558 279356553 /nfs/dbraw/zinc/35/65/53/279356553.db2.gz SHYDUJBAPFLZDL-QGZVFWFLSA-N 1 3 346.519 2.713 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367596542 279359781 /nfs/dbraw/zinc/35/97/81/279359781.db2.gz PUXANDRQFPSIOB-PKOBYXMFSA-N 1 3 347.551 2.894 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000353382754 279365760 /nfs/dbraw/zinc/36/57/60/279365760.db2.gz IOGPSPRPCSAGKR-IRXDYDNUSA-N 1 3 326.488 2.911 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(OC)C2)CC1 ZINC000355205971 279375447 /nfs/dbraw/zinc/37/54/47/279375447.db2.gz VASRGCOXJOJLPE-FQEVSTJZSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@](C)(OC)C2)CC1 ZINC000355205971 279375448 /nfs/dbraw/zinc/37/54/48/279375448.db2.gz VASRGCOXJOJLPE-FQEVSTJZSA-N 1 3 331.504 2.829 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCN(C)c3ccccc3)CC2)C[C@H](C)O1 ZINC000358686395 288152555 /nfs/dbraw/zinc/15/25/55/288152555.db2.gz HSHRTJZHBDSATK-KDURUIRLSA-N 1 3 345.531 2.944 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C[C@@H](C)O1 ZINC000376077952 288160755 /nfs/dbraw/zinc/16/07/55/288160755.db2.gz BYAILNVTQDUSFY-AKHDSKFASA-N 1 3 348.535 2.925 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C[C@@H](C)O1 ZINC000348064659 288161120 /nfs/dbraw/zinc/16/11/20/288161120.db2.gz PLIBBLMIPRQASF-KBUPBQIOSA-N 1 3 338.414 2.575 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNCC[C@H]1CCC[NH2+]C1 ZINC000414847621 280029547 /nfs/dbraw/zinc/02/95/47/280029547.db2.gz WBPATZSBZXRNEY-CYBMUJFWSA-N 1 3 344.908 2.613 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)[NH+](C)C ZINC000124530093 280078926 /nfs/dbraw/zinc/07/89/26/280078926.db2.gz BGCNXENODIJKFJ-JKSUJKDBSA-N 1 3 337.533 2.978 20 0 EFADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000245384354 280131346 /nfs/dbraw/zinc/13/13/46/280131346.db2.gz VMLASNFIXONUQF-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000245384354 280131348 /nfs/dbraw/zinc/13/13/48/280131348.db2.gz VMLASNFIXONUQF-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000171452541 280131414 /nfs/dbraw/zinc/13/14/14/280131414.db2.gz VMLASNFIXONUQF-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000171452541 280131416 /nfs/dbraw/zinc/13/14/16/280131416.db2.gz VMLASNFIXONUQF-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@H](N2CCCC2)C1 ZINC000365137544 280183005 /nfs/dbraw/zinc/18/30/05/280183005.db2.gz YONQDENBGVUDDF-FQEVSTJZSA-N 1 3 341.499 2.983 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(C)cc1 ZINC000414200913 280185734 /nfs/dbraw/zinc/18/57/34/280185734.db2.gz RZTFCXZODRLPCW-HXUWFJFHSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)[C@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821324 280214418 /nfs/dbraw/zinc/21/44/18/280214418.db2.gz AGHUBWXTSDCMOS-KRWDZBQOSA-N 1 3 346.519 2.781 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000356225454 280246440 /nfs/dbraw/zinc/24/64/40/280246440.db2.gz PZAMKZZCSPLMLS-WMZOPIPTSA-N 1 3 338.540 2.525 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000111881080 280278236 /nfs/dbraw/zinc/27/82/36/280278236.db2.gz NZVVYWSYMMQYIH-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000111881080 280278239 /nfs/dbraw/zinc/27/82/39/280278239.db2.gz NZVVYWSYMMQYIH-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])Oc1ccccc1Cl ZINC000422829329 280837831 /nfs/dbraw/zinc/83/78/31/280837831.db2.gz BTVLCKWODKDXDZ-IXYNUQLISA-N 1 3 326.868 2.839 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433913154 281056219 /nfs/dbraw/zinc/05/62/19/281056219.db2.gz BVPOVTOYUZHPTN-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433913154 281056222 /nfs/dbraw/zinc/05/62/22/281056222.db2.gz BVPOVTOYUZHPTN-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)CC2)n1 ZINC000353524692 281225467 /nfs/dbraw/zinc/22/54/67/281225467.db2.gz FGJJOENNOFNWRK-OTWHNJEPSA-N 1 3 328.504 2.821 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)C2CC2)CC1 ZINC000357086014 281724080 /nfs/dbraw/zinc/72/40/80/281724080.db2.gz RBYRDWXMQCMRDU-CUYAVPTFSA-N 1 3 347.547 2.878 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000261830735 281836601 /nfs/dbraw/zinc/83/66/01/281836601.db2.gz NCTWNZVVSFMXCR-UYAOXDASSA-N 1 3 343.515 2.966 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000444182180 281837803 /nfs/dbraw/zinc/83/78/03/281837803.db2.gz KHWODZCUDYMPKZ-ZVDOUQERSA-N 1 3 341.499 2.575 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000346821754 282023265 /nfs/dbraw/zinc/02/32/65/282023265.db2.gz OFGYVTPRQLEAOE-OAHLLOKOSA-N 1 3 341.565 2.631 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376823477 288982321 /nfs/dbraw/zinc/98/23/21/288982321.db2.gz QCKSRTAVQXMXGM-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422786916 289032334 /nfs/dbraw/zinc/03/23/34/289032334.db2.gz TZEMMPBAOVCGAC-SLFFLAALSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@H](C(=O)NC(C)(C)C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821241 289335206 /nfs/dbraw/zinc/33/52/06/289335206.db2.gz ORHJJIZHHHARGE-MRXNPFEDSA-N 1 3 346.519 2.923 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000261795087 289360266 /nfs/dbraw/zinc/36/02/66/289360266.db2.gz ZGCRIBJKIUQJAL-SNRMKQJTSA-N 1 3 325.456 2.742 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267637172 290008853 /nfs/dbraw/zinc/00/88/53/290008853.db2.gz YOOODOLVYUFELL-OYNPSCLESA-N 1 3 345.531 2.911 20 0 EFADHO C[N@@H+]1CC[C@@H]2CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC000359903715 290158683 /nfs/dbraw/zinc/15/86/83/290158683.db2.gz SUXSLNHTOZLKSK-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@@H]2C1 ZINC000359903715 290158685 /nfs/dbraw/zinc/15/86/85/290158685.db2.gz SUXSLNHTOZLKSK-BRWVUGGUSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000375803625 290219487 /nfs/dbraw/zinc/21/94/87/290219487.db2.gz DLKXDAIAKFUCJI-LUKYLMHMSA-N 1 3 337.508 2.752 20 0 EFADHO C[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000375803625 290219488 /nfs/dbraw/zinc/21/94/88/290219488.db2.gz DLKXDAIAKFUCJI-LUKYLMHMSA-N 1 3 337.508 2.752 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000439762101 290274156 /nfs/dbraw/zinc/27/41/56/290274156.db2.gz AHNCZFJFABCOEY-YESZJQIVSA-N 1 3 344.503 2.596 20 0 EFADHO Cc1cc(NC(=O)[C@H](C(C)C)N(C)C)ccc1OCC[NH+]1CCCC1 ZINC000119141460 292901087 /nfs/dbraw/zinc/90/10/87/292901087.db2.gz HOTMDRDLPOMXGD-IBGZPJMESA-N 1 3 347.503 2.994 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000125753835 293015299 /nfs/dbraw/zinc/01/52/99/293015299.db2.gz PKORUHHLACUBIL-IAGOWNOFSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000128631390 293110233 /nfs/dbraw/zinc/11/02/33/293110233.db2.gz LFUCUSSARQFFQP-HXUWFJFHSA-N 1 3 345.531 2.929 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1 ZINC000129856444 293145800 /nfs/dbraw/zinc/14/58/00/293145800.db2.gz WYSSUCPVZUGTRF-KRWDZBQOSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(F)cc1 ZINC000129856444 293145803 /nfs/dbraw/zinc/14/58/03/293145803.db2.gz WYSSUCPVZUGTRF-KRWDZBQOSA-N 1 3 336.455 2.706 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000129874956 293146546 /nfs/dbraw/zinc/14/65/46/293146546.db2.gz XDUYCAJSJJGKDH-DOMZBBRYSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000129874956 293146549 /nfs/dbraw/zinc/14/65/49/293146549.db2.gz XDUYCAJSJJGKDH-DOMZBBRYSA-N 1 3 327.266 2.758 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000130907711 293182040 /nfs/dbraw/zinc/18/20/40/293182040.db2.gz RTEVXGYNHNGAOZ-GOSISDBHSA-N 1 3 340.556 2.584 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130907711 293182043 /nfs/dbraw/zinc/18/20/43/293182043.db2.gz RTEVXGYNHNGAOZ-GOSISDBHSA-N 1 3 340.556 2.584 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCN(C)C)C1 ZINC000133419064 293256671 /nfs/dbraw/zinc/25/66/71/293256671.db2.gz JDZOOSPABXPFOG-CALCHBBNSA-N 1 3 346.519 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCN(C)C)C1 ZINC000133419064 293256673 /nfs/dbraw/zinc/25/66/73/293256673.db2.gz JDZOOSPABXPFOG-CALCHBBNSA-N 1 3 346.519 2.525 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134277893 293283595 /nfs/dbraw/zinc/28/35/95/293283595.db2.gz JOJYUTGUCJSYFB-IBGZPJMESA-N 1 3 343.515 2.713 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000152295327 293326877 /nfs/dbraw/zinc/32/68/77/293326877.db2.gz SOEGRBMNJAXSHG-NHCUHLMSSA-N 1 3 345.531 2.859 20 0 EFADHO COC(=O)N1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000152963837 293354279 /nfs/dbraw/zinc/35/42/79/293354279.db2.gz VMKAZMYMRPQVAB-HNNXBMFYSA-N 1 3 349.475 2.508 20 0 EFADHO CON1CCC([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421397095 293370142 /nfs/dbraw/zinc/37/01/42/293370142.db2.gz LIIOUBYSTYADSJ-CEWLAPEOSA-N 1 3 343.515 2.903 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000154423184 293425253 /nfs/dbraw/zinc/42/52/53/293425253.db2.gz CCLRQNGZMSUAED-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000422907797 297032029 /nfs/dbraw/zinc/03/20/29/297032029.db2.gz XPGSIQQFYHNHOG-AHRSYUTCSA-N 1 3 331.504 2.514 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC000255953881 293895123 /nfs/dbraw/zinc/89/51/23/293895123.db2.gz WOWPCNOHGGYZIY-NEPXVJNWSA-N 1 3 331.504 2.820 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@@H]1C ZINC000255953884 293895226 /nfs/dbraw/zinc/89/52/26/293895226.db2.gz WOWPCNOHGGYZIY-ZAWLATJESA-N 1 3 331.504 2.820 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290104984 294000638 /nfs/dbraw/zinc/00/06/38/294000638.db2.gz XXMMTMRLJWVAHL-ONCXSQPRSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290191910 294023120 /nfs/dbraw/zinc/02/31/20/294023120.db2.gz OIHFAPYQTNDATM-JQHSSLGASA-N 1 3 331.504 2.866 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290226794 294032391 /nfs/dbraw/zinc/03/23/91/294032391.db2.gz UFOHOMKEMUYNMI-LEAZDLGRSA-N 1 3 343.515 2.886 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000290254555 294040087 /nfs/dbraw/zinc/04/00/87/294040087.db2.gz KBKZSYWQCDURPZ-ZWKOTPCHSA-N 1 3 335.492 2.705 20 0 EFADHO Cc1oc2ccccc2c1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262028354 294040825 /nfs/dbraw/zinc/04/08/25/294040825.db2.gz NTGHKYVOAZOUDN-HNNXBMFYSA-N 1 3 329.444 2.561 20 0 EFADHO Cc1oc2ccccc2c1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262028358 294041010 /nfs/dbraw/zinc/04/10/10/294041010.db2.gz NTGHKYVOAZOUDN-OAHLLOKOSA-N 1 3 329.444 2.561 20 0 EFADHO Cc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc(C)c1O ZINC000290499049 294103124 /nfs/dbraw/zinc/10/31/24/294103124.db2.gz WKKAQYVSJOCDCG-OALUTQOASA-N 1 3 332.488 2.867 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000290582139 294126670 /nfs/dbraw/zinc/12/66/70/294126670.db2.gz USLAWQIPTDEZGV-IBGZPJMESA-N 1 3 328.504 2.846 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1nccc2ccccc21 ZINC000290638781 294142684 /nfs/dbraw/zinc/14/26/84/294142684.db2.gz JJMHUVTYDFQHHF-MRXNPFEDSA-N 1 3 326.488 2.911 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1nccc2ccccc21 ZINC000290670105 294151916 /nfs/dbraw/zinc/15/19/16/294151916.db2.gz LDWBESUBFYJCQS-MRXNPFEDSA-N 1 3 326.488 2.911 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290722106 294166965 /nfs/dbraw/zinc/16/69/65/294166965.db2.gz PPFMBYVRFJXZJQ-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290722106 294166969 /nfs/dbraw/zinc/16/69/69/294166969.db2.gz PPFMBYVRFJXZJQ-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](COC)c1cccc(Cl)c1 ZINC000290762154 294177775 /nfs/dbraw/zinc/17/77/75/294177775.db2.gz RPBQZGTZQRBGSS-DLBZAZTESA-N 1 3 328.884 2.974 20 0 EFADHO c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000290964418 294233077 /nfs/dbraw/zinc/23/30/77/294233077.db2.gz WSFUPXONFVGZKA-KRWDZBQOSA-N 1 3 335.455 2.612 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)ccn1 ZINC000291484285 294394125 /nfs/dbraw/zinc/39/41/25/294394125.db2.gz RPZMPVQBMIKHQW-SJLPKXTDSA-N 1 3 333.501 2.695 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000292769745 294781086 /nfs/dbraw/zinc/78/10/86/294781086.db2.gz XIKVCHIWMKUQSY-LJQANCHMSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000293586882 295005274 /nfs/dbraw/zinc/00/52/74/295005274.db2.gz KECBFKQCHNLDJU-IERDGZPVSA-N 1 3 340.467 2.680 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293697162 295029628 /nfs/dbraw/zinc/02/96/28/295029628.db2.gz LDRDZGBXGBIVOJ-IBGZPJMESA-N 1 3 347.503 2.542 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703152 295031700 /nfs/dbraw/zinc/03/17/00/295031700.db2.gz OMTPEZSHSJAJNK-IAGOWNOFSA-N 1 3 347.503 2.540 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703152 295031701 /nfs/dbraw/zinc/03/17/01/295031701.db2.gz OMTPEZSHSJAJNK-IAGOWNOFSA-N 1 3 347.503 2.540 20 0 EFADHO CCC[C@@H](C)C(=O)NCCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293788026 295049587 /nfs/dbraw/zinc/04/95/87/295049587.db2.gz UBNOQTVJHBKLNW-IAGOWNOFSA-N 1 3 349.519 2.830 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H](C)CN(C)C ZINC000293833477 295059765 /nfs/dbraw/zinc/05/97/65/295059765.db2.gz WOJLALCIOSXUSQ-LSDHHAIUSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H](C)C[NH+](C)C ZINC000293833477 295059768 /nfs/dbraw/zinc/05/97/68/295059768.db2.gz WOJLALCIOSXUSQ-LSDHHAIUSA-N 1 3 339.911 2.864 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN(C)C)cc1Cn1cccn1 ZINC000293868989 295067846 /nfs/dbraw/zinc/06/78/46/295067846.db2.gz YCGVTHWMGNPMBX-JKSUJKDBSA-N 1 3 330.476 2.788 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H](C)CN(C)C ZINC000293888324 295072202 /nfs/dbraw/zinc/07/22/02/295072202.db2.gz ZAVUBKRCPVAAIO-LSDHHAIUSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H](C)C[NH+](C)C ZINC000293888324 295072203 /nfs/dbraw/zinc/07/22/03/295072203.db2.gz ZAVUBKRCPVAAIO-LSDHHAIUSA-N 1 3 339.911 2.864 20 0 EFADHO CC(=O)Nc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000294212968 295129144 /nfs/dbraw/zinc/12/91/44/295129144.db2.gz MSIVKBDZLVYRKF-UHFFFAOYSA-N 1 3 338.455 2.841 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@@H]2CCC[C@@H]2[NH3+])CCOCC1 ZINC000422907333 295144308 /nfs/dbraw/zinc/14/43/08/295144308.db2.gz WYRBFYDRMMBBMV-JKSUJKDBSA-N 1 3 338.879 2.866 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC000294367574 295155172 /nfs/dbraw/zinc/15/51/72/295155172.db2.gz CFLCREGGJJYZDO-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CCCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000294699154 295210338 /nfs/dbraw/zinc/21/03/38/295210338.db2.gz CXYDLNCJDJQXGW-QGZVFWFLSA-N 1 3 333.520 2.715 20 0 EFADHO COCC1CCC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000294756671 295221805 /nfs/dbraw/zinc/22/18/05/295221805.db2.gz LDULYMRRPMFFRB-UHFFFAOYSA-N 1 3 346.515 2.938 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636749 295241887 /nfs/dbraw/zinc/24/18/87/295241887.db2.gz MYSHLWFWVVDFPE-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636749 295241889 /nfs/dbraw/zinc/24/18/89/295241889.db2.gz MYSHLWFWVVDFPE-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636749 295241890 /nfs/dbraw/zinc/24/18/90/295241890.db2.gz MYSHLWFWVVDFPE-KPFFTGBYSA-N 1 3 331.504 2.904 20 0 EFADHO NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433513057 295246208 /nfs/dbraw/zinc/24/62/08/295246208.db2.gz YGSUDMZTIQXMEF-AWEZNQCLSA-N 1 3 340.265 2.591 20 0 EFADHO NC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000433513057 295246209 /nfs/dbraw/zinc/24/62/09/295246209.db2.gz YGSUDMZTIQXMEF-AWEZNQCLSA-N 1 3 340.265 2.591 20 0 EFADHO [NH3+]CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000294936058 295247899 /nfs/dbraw/zinc/24/78/99/295247899.db2.gz BNXPIAFFEIICOG-UHFFFAOYSA-N 1 3 344.286 2.767 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926182 295251153 /nfs/dbraw/zinc/25/11/53/295251153.db2.gz CQCBRJUSPGFUBD-RBUKOAKNSA-N 1 3 329.488 2.920 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295008743 295257125 /nfs/dbraw/zinc/25/71/25/295257125.db2.gz LYHVQKQSWNEKIZ-YJBOKZPZSA-N 1 3 335.467 2.624 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798098 295257242 /nfs/dbraw/zinc/25/72/42/295257242.db2.gz PSEWVBVZMPDZLO-DOTOQJQBSA-N 1 3 330.472 2.987 20 0 EFADHO C[C@@H](CCO)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000295106884 295268957 /nfs/dbraw/zinc/26/89/57/295268957.db2.gz LCYBBJCCXKQRMJ-QGZVFWFLSA-N 1 3 333.520 2.715 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000295198316 295281133 /nfs/dbraw/zinc/28/11/33/295281133.db2.gz OVOMGVIEQMORTM-JKSUJKDBSA-N 1 3 329.488 2.907 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000295259659 295288969 /nfs/dbraw/zinc/28/89/69/295288969.db2.gz UZESCSBQJQWNMI-RBUKOAKNSA-N 1 3 325.456 2.669 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000295259658 295289092 /nfs/dbraw/zinc/28/90/92/295289092.db2.gz UZESCSBQJQWNMI-OALUTQOASA-N 1 3 325.456 2.669 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000295273173 295291264 /nfs/dbraw/zinc/29/12/64/295291264.db2.gz VUXRCJUQTLYBAV-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000295273173 295291267 /nfs/dbraw/zinc/29/12/67/295291267.db2.gz VUXRCJUQTLYBAV-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO CN(Cc1ccccc1C[N@H+](C)CC(C)(C)CO)CC(C)(C)CO ZINC000295347616 295304778 /nfs/dbraw/zinc/30/47/78/295304778.db2.gz YHEIWJBDLLSJBK-UHFFFAOYSA-N 1 3 336.520 2.587 20 0 EFADHO CN(Cc1ccccc1C[N@@H+](C)CC(C)(C)CO)CC(C)(C)CO ZINC000295347616 295304779 /nfs/dbraw/zinc/30/47/79/295304779.db2.gz YHEIWJBDLLSJBK-UHFFFAOYSA-N 1 3 336.520 2.587 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)c1 ZINC000422757052 295325820 /nfs/dbraw/zinc/32/58/20/295325820.db2.gz JGCBRTOQDKJULM-AHRSYUTCSA-N 1 3 331.504 2.810 20 0 EFADHO N[C@H](CC(F)F)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000345723203 295330282 /nfs/dbraw/zinc/33/02/82/295330282.db2.gz WVMPSDDTLNXQHT-MRXNPFEDSA-N 1 3 339.430 2.661 20 0 EFADHO CS[C@@H]1CN(CCN(C)Cc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000295758664 295371952 /nfs/dbraw/zinc/37/19/52/295371952.db2.gz ORGAZPWLTBAMBC-RBUKOAKNSA-N 1 3 333.545 2.630 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430951682 298034373 /nfs/dbraw/zinc/03/43/73/298034373.db2.gz WEINYVBASYBYPN-SQWLQELKSA-N 1 3 335.517 2.859 20 0 EFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705449 298111595 /nfs/dbraw/zinc/11/15/95/298111595.db2.gz GXPNIVMJRVHUPK-KZNAEPCWSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](C1CC1)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000253567603 298258108 /nfs/dbraw/zinc/25/81/08/298258108.db2.gz ACVFYTAJAIBKBY-DNVCBOLYSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](C1CC1)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000253567603 298258113 /nfs/dbraw/zinc/25/81/13/298258113.db2.gz ACVFYTAJAIBKBY-DNVCBOLYSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000339436582 298728456 /nfs/dbraw/zinc/72/84/56/298728456.db2.gz JXXTUTCRTMKHLW-IEBWSBKVSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@H]([NH3+])c1ccc(CN[C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000414812480 299004176 /nfs/dbraw/zinc/00/41/76/299004176.db2.gz RIYCPASQYRHPMO-RYUDHWBXSA-N 1 3 337.265 2.844 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592491 300221936 /nfs/dbraw/zinc/22/19/36/300221936.db2.gz NGBWOHQVAZRYQF-YSIASYRMSA-N 1 3 343.515 2.774 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592491 300221938 /nfs/dbraw/zinc/22/19/38/300221938.db2.gz NGBWOHQVAZRYQF-YSIASYRMSA-N 1 3 343.515 2.774 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000356282183 302138718 /nfs/dbraw/zinc/13/87/18/302138718.db2.gz PIYGLUFMMXXNTK-FUHWJXTLSA-N 1 3 329.488 2.731 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414674569 303366603 /nfs/dbraw/zinc/36/66/03/303366603.db2.gz KQLAPLYNNAWOAJ-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414674569 303366605 /nfs/dbraw/zinc/36/66/05/303366605.db2.gz KQLAPLYNNAWOAJ-PBHICJAKSA-N 1 3 335.879 2.674 20 0 EFADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262646463 303481244 /nfs/dbraw/zinc/48/12/44/303481244.db2.gz OMFUJXSGWCGZKU-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO c1cnc2c(c1)cccc2CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422818181 304860242 /nfs/dbraw/zinc/86/02/42/304860242.db2.gz JOWMHOYQGBFJFN-CEXWTWQISA-N 1 3 325.456 2.524 20 0 EFADHO CC[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CCC[NH2+]1 ZINC000134607218 310644175 /nfs/dbraw/zinc/64/41/75/310644175.db2.gz WNAUQSZJMUCSKU-HXUWFJFHSA-N 1 3 345.487 2.940 20 0 EFADHO Cc1noc(C)c1CCN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000165362000 310732410 /nfs/dbraw/zinc/73/24/10/310732410.db2.gz UGLKXZXMOHBDFH-GJZGRUSLSA-N 1 3 335.492 2.655 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296480061 310825071 /nfs/dbraw/zinc/82/50/71/310825071.db2.gz PZQQGLVBOXZFAI-AWEZNQCLSA-N 1 3 325.447 2.684 20 0 EFADHO CO[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000297317818 310880202 /nfs/dbraw/zinc/88/02/02/310880202.db2.gz CLPJTVXGYGGLIK-FQEVSTJZSA-N 1 3 325.456 2.898 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]1SC ZINC000297581800 310910677 /nfs/dbraw/zinc/91/06/77/310910677.db2.gz IMRJYBNHCFEXGE-KSZLIROESA-N 1 3 335.517 2.797 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H]1SC ZINC000297581804 310910739 /nfs/dbraw/zinc/91/07/39/310910739.db2.gz IMRJYBNHCFEXGE-RCCFBDPRSA-N 1 3 335.517 2.797 20 0 EFADHO COc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1OC ZINC000298438014 310989861 /nfs/dbraw/zinc/98/98/61/310989861.db2.gz NJLQJAGNNNWJJJ-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO C[C@@](O)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1F ZINC000298536711 311000820 /nfs/dbraw/zinc/00/08/20/311000820.db2.gz SPBRRKRLPMDVLC-LJQANCHMSA-N 1 3 347.409 2.826 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000298561824 311003283 /nfs/dbraw/zinc/00/32/83/311003283.db2.gz JSHDXFKTZRYMOP-ZACQAIPSSA-N 1 3 331.504 2.779 20 0 EFADHO CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298642600 311010174 /nfs/dbraw/zinc/01/01/74/311010174.db2.gz RMAPAFDXCLBHDS-JFRXWTBNSA-N 1 3 331.504 2.599 20 0 EFADHO CC[C@H](C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298642600 311010176 /nfs/dbraw/zinc/01/01/76/311010176.db2.gz RMAPAFDXCLBHDS-JFRXWTBNSA-N 1 3 331.504 2.599 20 0 EFADHO CC[C@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000298642595 311010245 /nfs/dbraw/zinc/01/02/45/311010245.db2.gz RMAPAFDXCLBHDS-JFIYKMOQSA-N 1 3 331.504 2.599 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000298735633 311019095 /nfs/dbraw/zinc/01/90/95/311019095.db2.gz VKAMKBJJJDHFTF-IBGZPJMESA-N 1 3 334.504 2.870 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000298735633 311019096 /nfs/dbraw/zinc/01/90/96/311019096.db2.gz VKAMKBJJJDHFTF-IBGZPJMESA-N 1 3 334.504 2.870 20 0 EFADHO CN1CCC[C@@H]1CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299259605 311066468 /nfs/dbraw/zinc/06/64/68/311066468.db2.gz UBIPJBHUXZCODE-LJQANCHMSA-N 1 3 344.503 2.931 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000299592494 311100571 /nfs/dbraw/zinc/10/05/71/311100571.db2.gz KMVOQOAQSJSEBG-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000300240519 311116132 /nfs/dbraw/zinc/11/61/32/311116132.db2.gz FEMKSKQNFIMDMZ-HZPDHXFCSA-N 1 3 327.513 2.715 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000325526629 311243311 /nfs/dbraw/zinc/24/33/11/311243311.db2.gz APURVOORVKICHY-UHFFFAOYSA-N 1 3 333.476 2.995 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333158110 311575464 /nfs/dbraw/zinc/57/54/64/311575464.db2.gz NJFLMMTZDOPESS-RTBURBONSA-N 1 3 348.535 2.973 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000333176674 311578056 /nfs/dbraw/zinc/57/80/56/311578056.db2.gz QZVCRXMKYNCPOA-PKOBYXMFSA-N 1 3 341.455 2.659 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnc4ccccc4c3)CC2)C1 ZINC000333199814 311581746 /nfs/dbraw/zinc/58/17/46/311581746.db2.gz XJBYBGSSDKTFJA-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000333333072 311600871 /nfs/dbraw/zinc/60/08/71/311600871.db2.gz WNLOXZPCNTTYMD-WRMBXCAGSA-N 1 3 346.519 2.625 20 0 EFADHO [NH3+]C1CCC(NC(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000333800704 311661488 /nfs/dbraw/zinc/66/14/88/311661488.db2.gz OBEPUWMOXRDFSI-UHFFFAOYSA-N 1 3 336.524 2.602 20 0 EFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774600 312052345 /nfs/dbraw/zinc/05/23/45/312052345.db2.gz YNZONXWSFJRIKC-IYBDPMFKSA-N 1 3 328.435 2.751 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CC12CCOCC2 ZINC000414776320 312052831 /nfs/dbraw/zinc/05/28/31/312052831.db2.gz GZYPVMAHFIVNIU-OAHLLOKOSA-N 1 3 340.414 2.518 20 0 EFADHO CCC(N)(CC)C[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000414802379 312053111 /nfs/dbraw/zinc/05/31/11/312053111.db2.gz BHYVZNBELLXBSA-UHFFFAOYSA-N 1 3 334.416 2.835 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414833528 312055865 /nfs/dbraw/zinc/05/58/65/312055865.db2.gz FWSHVWOBTAQOSE-RDTXWAMCSA-N 1 3 333.476 2.910 20 0 EFADHO CNC[C@@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414841386 312056991 /nfs/dbraw/zinc/05/69/91/312056991.db2.gz NVBVBOUUBYCBHR-CYBMUJFWSA-N 1 3 327.875 2.889 20 0 EFADHO C[NH2+]C[C@@H](C)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414841386 312056992 /nfs/dbraw/zinc/05/69/92/312056992.db2.gz NVBVBOUUBYCBHR-CYBMUJFWSA-N 1 3 327.875 2.889 20 0 EFADHO CCN1CCN(c2ccccc2CNCC2([NH3+])CCCCC2)CC1 ZINC000414842901 312057416 /nfs/dbraw/zinc/05/74/16/312057416.db2.gz NIOPTJAGJROXKJ-UHFFFAOYSA-N 1 3 330.520 2.580 20 0 EFADHO CN(c1ccccc1CNCC1([NH3+])CCCCC1)C1CCN(C)CC1 ZINC000414842936 312057694 /nfs/dbraw/zinc/05/76/94/312057694.db2.gz NOJJQWJYJVPAGX-UHFFFAOYSA-N 1 3 344.547 2.968 20 0 EFADHO COCC1(CNCc2cc(Br)ccc2F)CC[NH2+]CC1 ZINC000414942321 312068529 /nfs/dbraw/zinc/06/85/29/312068529.db2.gz BPWZJDFKTJQKJM-UHFFFAOYSA-N 1 3 345.256 2.694 20 0 EFADHO Cc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000414972120 312069045 /nfs/dbraw/zinc/06/90/45/312069045.db2.gz MAQVHSWOWMTOIG-CQSZACIVSA-N 1 3 335.801 2.574 20 0 EFADHO CC(C)c1ccc(CCNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971375 312069368 /nfs/dbraw/zinc/06/93/68/312069368.db2.gz IGYAJSFJOCMEAV-QGZVFWFLSA-N 1 3 343.437 2.778 20 0 EFADHO Cc1cc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000414985496 312071806 /nfs/dbraw/zinc/07/18/06/312071806.db2.gz MXAVIWRWYXDKNB-AWEZNQCLSA-N 1 3 335.801 2.574 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc3c(cc2Br)OCO3)C1 ZINC000414986763 312071845 /nfs/dbraw/zinc/07/18/45/312071845.db2.gz CNZAAKDPDZXTSU-ZYHUDNBSSA-N 1 3 341.249 2.785 20 0 EFADHO Cc1oc2ccccc2c1CNC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414993235 312073091 /nfs/dbraw/zinc/07/30/91/312073091.db2.gz UEYKLHOWGPQYCB-INIZCTEOSA-N 1 3 341.377 2.667 20 0 EFADHO Cc1cc(Cl)ccc1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997228 312074341 /nfs/dbraw/zinc/07/43/41/312074341.db2.gz YJUXQRWWTLFBMD-CQSZACIVSA-N 1 3 335.801 2.574 20 0 EFADHO FC1(F)CNCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000415005247 312076212 /nfs/dbraw/zinc/07/62/12/312076212.db2.gz RIQSEORGWOYRCK-ZSYWTGECSA-N 1 3 349.469 2.731 20 0 EFADHO Brc1ccc2ncc(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)n2c1 ZINC000415014283 312077651 /nfs/dbraw/zinc/07/76/51/312077651.db2.gz WJQZFPATJHBLLY-LSDHHAIUSA-N 1 3 349.276 2.575 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415044811 312082671 /nfs/dbraw/zinc/08/26/71/312082671.db2.gz BZKCWIVZRXVXCF-GUYCJALGSA-N 1 3 349.475 2.528 20 0 EFADHO Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H]1CC[C@H](C[NH3+])C1 ZINC000415050341 312083950 /nfs/dbraw/zinc/08/39/50/312083950.db2.gz YOEJAFLGSZJXKL-JQWIXIFHSA-N 1 3 326.366 2.809 20 0 EFADHO C[C@H](C[C@H]1CCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415074270 312088346 /nfs/dbraw/zinc/08/83/46/312088346.db2.gz CENHLILSQBQLSY-GDBMZVCRSA-N 1 3 333.451 2.551 20 0 EFADHO CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415084313 312090254 /nfs/dbraw/zinc/09/02/54/312090254.db2.gz OSRWCWNDDUHBAW-OALUTQOASA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1Cl ZINC000415083427 312090568 /nfs/dbraw/zinc/09/05/68/312090568.db2.gz FHZMLMDVCROQNB-NWDGAFQWSA-N 1 3 344.286 2.841 20 0 EFADHO CCC(CC)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415085060 312091037 /nfs/dbraw/zinc/09/10/37/312091037.db2.gz QEJYTHBNXUXKJI-OXJNMPFZSA-N 1 3 331.504 2.951 20 0 EFADHO COC(=O)[C@](C)(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110791 312095860 /nfs/dbraw/zinc/09/58/60/312095860.db2.gz SVPWRAXSDJENNT-SOAMZJECSA-N 1 3 330.472 2.628 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)o1 ZINC000415114599 312096705 /nfs/dbraw/zinc/09/67/05/312096705.db2.gz WAIXCZOIJIZJMN-QFBILLFUSA-N 1 3 344.459 2.696 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000415121415 312098041 /nfs/dbraw/zinc/09/80/41/312098041.db2.gz HEMPRVRTLOPTQE-OAHLLOKOSA-N 1 3 327.457 2.789 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000415121415 312098043 /nfs/dbraw/zinc/09/80/43/312098043.db2.gz HEMPRVRTLOPTQE-OAHLLOKOSA-N 1 3 327.457 2.789 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000415138624 312102092 /nfs/dbraw/zinc/10/20/92/312102092.db2.gz HOLBZHIMSPWQPO-UHFFFAOYSA-N 1 3 336.382 2.727 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@H](CC[NH3+])C2)c(OCCN(C)C)c1 ZINC000415199156 312112870 /nfs/dbraw/zinc/11/28/70/312112870.db2.gz CXMJBNJIVDLQPC-MRXNPFEDSA-N 1 3 348.491 2.528 20 0 EFADHO Cc1ccc(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415204689 312113529 /nfs/dbraw/zinc/11/35/29/312113529.db2.gz OLHCUPFIIAISLL-HZPDHXFCSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415203317 312113534 /nfs/dbraw/zinc/11/35/34/312113534.db2.gz LEFCRQAZKKLMQQ-NVXWUHKLSA-N 1 3 348.491 2.669 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415212016 312114432 /nfs/dbraw/zinc/11/44/32/312114432.db2.gz YOPQIVVHIQODNU-RDJZCZTQSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314090 312128714 /nfs/dbraw/zinc/12/87/14/312128714.db2.gz WVSUCPIYVZNJJJ-MRXNPFEDSA-N 1 3 348.491 2.800 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC000415453953 312141287 /nfs/dbraw/zinc/14/12/87/312141287.db2.gz NNHUJUJBMQIYRQ-LJQANCHMSA-N 1 3 343.515 2.888 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000415880782 312178788 /nfs/dbraw/zinc/17/87/88/312178788.db2.gz GMGOTERGKYYYJN-QGZVFWFLSA-N 1 3 332.492 2.820 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000415912677 312180844 /nfs/dbraw/zinc/18/08/44/312180844.db2.gz MLTCZTVTFBGWRR-INIZCTEOSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000415912677 312180846 /nfs/dbraw/zinc/18/08/46/312180846.db2.gz MLTCZTVTFBGWRR-INIZCTEOSA-N 1 3 332.492 2.896 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000415913757 312180950 /nfs/dbraw/zinc/18/09/50/312180950.db2.gz RDXPVTOTICMILZ-UHFFFAOYSA-N 1 3 330.432 2.595 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000415961432 312186050 /nfs/dbraw/zinc/18/60/50/312186050.db2.gz ROLHMKQJIOAHPM-DNVCBOLYSA-N 1 3 338.455 2.930 20 0 EFADHO CN(CCCN(C)C(=O)Nc1ccc(C[NH3+])cc1)Cc1ccco1 ZINC000415965027 312186798 /nfs/dbraw/zinc/18/67/98/312186798.db2.gz XSZWXDCUZQMIQX-UHFFFAOYSA-N 1 3 330.432 2.724 20 0 EFADHO CC[NH+](CC)CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415972609 312188080 /nfs/dbraw/zinc/18/80/80/312188080.db2.gz PJYOZXNDTIUTEK-UHFFFAOYSA-N 1 3 332.370 2.627 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000415977928 312189063 /nfs/dbraw/zinc/18/90/63/312189063.db2.gz OYHOCLFUAISWLY-DNVCBOLYSA-N 1 3 338.455 2.930 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000415977717 312189096 /nfs/dbraw/zinc/18/90/96/312189096.db2.gz OKMNZLYZHZMGEF-UHFFFAOYSA-N 1 3 330.476 2.875 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)CNCCO2 ZINC000415980836 312189834 /nfs/dbraw/zinc/18/98/34/312189834.db2.gz ALOCNQGKWKXTQI-UHFFFAOYSA-N 1 3 348.491 2.754 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983369 312190313 /nfs/dbraw/zinc/19/03/13/312190313.db2.gz ZJKGSQCNEHBEAL-UHFFFAOYSA-N 1 3 344.434 2.880 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC(C)CC1 ZINC000417301674 312205931 /nfs/dbraw/zinc/20/59/31/312205931.db2.gz BTOTXVRPQAIIKT-SFHVURJKSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000417303632 312206192 /nfs/dbraw/zinc/20/61/92/312206192.db2.gz DOGHOLIVXVGXNG-LNLFQRSKSA-N 1 3 346.519 2.662 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000417316191 312208126 /nfs/dbraw/zinc/20/81/26/312208126.db2.gz UAQYFPXWLPKTOF-MSOLQXFVSA-N 1 3 334.508 2.613 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417329756 312209786 /nfs/dbraw/zinc/20/97/86/312209786.db2.gz NJBCKRMNNCJJPE-IAGOWNOFSA-N 1 3 338.540 2.657 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000417351809 312213126 /nfs/dbraw/zinc/21/31/26/312213126.db2.gz DNVLCPJLUGVEJI-HKUYNNGSSA-N 1 3 346.519 2.949 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)CCC[NH3+])N2CCCC2)cc1 ZINC000417354172 312213439 /nfs/dbraw/zinc/21/34/39/312213439.db2.gz LFALVALEEPYNFK-AEFFLSMTSA-N 1 3 332.492 2.559 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417357265 312213629 /nfs/dbraw/zinc/21/36/29/312213629.db2.gz QZJFJCRQJLGKHB-MOPGFXCFSA-N 1 3 344.503 2.525 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)C1 ZINC000417357266 312213665 /nfs/dbraw/zinc/21/36/65/312213665.db2.gz QZJFJCRQJLGKHB-OALUTQOASA-N 1 3 344.503 2.525 20 0 EFADHO CCC[NH+]1CCC(CNC(=O)NC[C@@H](N)c2ccccc2CC)CC1 ZINC000417373327 312215670 /nfs/dbraw/zinc/21/56/70/312215670.db2.gz ARDLGIOJMMTHHO-LJQANCHMSA-N 1 3 346.519 2.670 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000417393730 312217449 /nfs/dbraw/zinc/21/74/49/312217449.db2.gz UXEMGOWNWHTIPT-GDBMZVCRSA-N 1 3 341.446 2.617 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417579874 312243190 /nfs/dbraw/zinc/24/31/90/312243190.db2.gz BWISYFJFVGGCBP-ZWKOTPCHSA-N 1 3 332.492 2.640 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417579870 312243394 /nfs/dbraw/zinc/24/33/94/312243394.db2.gz BWISYFJFVGGCBP-ROUUACIJSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417624097 312249181 /nfs/dbraw/zinc/24/91/81/312249181.db2.gz KMEAUUAMDGIZCO-HNNXBMFYSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000417625206 312249208 /nfs/dbraw/zinc/24/92/08/312249208.db2.gz LNYZVWKPSBRSMQ-ZOBUZTSGSA-N 1 3 332.492 2.542 20 0 EFADHO CCCN(C(=O)NCC(C)(C)N[C@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417629434 312249325 /nfs/dbraw/zinc/24/93/25/312249325.db2.gz QEQUVLBLUVNIRG-AEFFLSMTSA-N 1 3 346.519 2.899 20 0 EFADHO CCCN(C(=O)NCC(C)(C)N[C@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417629436 312249577 /nfs/dbraw/zinc/24/95/77/312249577.db2.gz QEQUVLBLUVNIRG-SJLPKXTDSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417634302 312250328 /nfs/dbraw/zinc/25/03/28/312250328.db2.gz VJQULMIXMDHUJJ-HOTGVXAUSA-N 1 3 334.508 2.933 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417677539 312255420 /nfs/dbraw/zinc/25/54/20/312255420.db2.gz FXZXIRLSGORSGM-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000417684807 312256698 /nfs/dbraw/zinc/25/66/98/312256698.db2.gz XNLDFEXWRBAQTQ-ZWKOTPCHSA-N 1 3 348.535 2.914 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417688719 312257200 /nfs/dbraw/zinc/25/72/00/312257200.db2.gz JEAVRSQWTIBSNE-HZPDHXFCSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417690836 312257692 /nfs/dbraw/zinc/25/76/92/312257692.db2.gz MCARVCYLYFUVKK-MRXNPFEDSA-N 1 3 344.503 2.653 20 0 EFADHO C[NH2+]C[C@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417698627 312258721 /nfs/dbraw/zinc/25/87/21/312258721.db2.gz GTQRGBHWIJDGGH-DLBZAZTESA-N 1 3 346.519 2.757 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417704151 312259214 /nfs/dbraw/zinc/25/92/14/312259214.db2.gz LWDUJYBXICKJBF-OAHLLOKOSA-N 1 3 334.508 2.933 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417704564 312259301 /nfs/dbraw/zinc/25/93/01/312259301.db2.gz LGDQMWKVDJVZKV-QFBILLFUSA-N 1 3 344.503 2.565 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417704564 312259302 /nfs/dbraw/zinc/25/93/02/312259302.db2.gz LGDQMWKVDJVZKV-QFBILLFUSA-N 1 3 344.503 2.565 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417703578 312259334 /nfs/dbraw/zinc/25/93/34/312259334.db2.gz LKNWGFFOWNQWGI-OWCLPIDISA-N 1 3 332.492 2.508 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000417712459 312260080 /nfs/dbraw/zinc/26/00/80/312260080.db2.gz XBIKLGLDGOQIIK-INIZCTEOSA-N 1 3 346.519 2.805 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417826713 312276760 /nfs/dbraw/zinc/27/67/60/312276760.db2.gz CNERSVCJTKNVJP-BHIYHBOVSA-N 1 3 346.519 2.856 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417834360 312278024 /nfs/dbraw/zinc/27/80/24/312278024.db2.gz UYEOMZFYCXUCGU-AEFFLSMTSA-N 1 3 346.519 2.714 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417834362 312278060 /nfs/dbraw/zinc/27/80/60/312278060.db2.gz UYEOMZFYCXUCGU-FUHWJXTLSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)(C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)[C@@H](N)c1ccccc1 ZINC000417847611 312280695 /nfs/dbraw/zinc/28/06/95/312280695.db2.gz KCWMECXDGGPSQB-WFASDCNBSA-N 1 3 344.484 2.624 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417870097 312286177 /nfs/dbraw/zinc/28/61/77/312286177.db2.gz IIYLSXLSBADVKH-YTQUADARSA-N 1 3 346.519 2.664 20 0 EFADHO CC(C)C[C@@H](CNC(=O)N1CCCNCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417873165 312287117 /nfs/dbraw/zinc/28/71/17/312287117.db2.gz LLEFENRJKNWHBU-HKUYNNGSSA-N 1 3 346.519 2.757 20 0 EFADHO CC1(C)C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000417892650 312290924 /nfs/dbraw/zinc/29/09/24/312290924.db2.gz XOSJYIYGOUCIJX-SFHVURJKSA-N 1 3 331.504 2.746 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000418008819 312308480 /nfs/dbraw/zinc/30/84/80/312308480.db2.gz TXEKBLROMDTSKT-LPHOPBHVSA-N 1 3 346.519 2.813 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000418021701 312310501 /nfs/dbraw/zinc/31/05/01/312310501.db2.gz AAEPSCGGKHWORI-OALUTQOASA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000418024391 312311245 /nfs/dbraw/zinc/31/12/45/312311245.db2.gz CLZOODZRPCJJQQ-GOSISDBHSA-N 1 3 348.535 2.769 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418028391 312311906 /nfs/dbraw/zinc/31/19/06/312311906.db2.gz HJZYSWNWBZMHBD-UHOSZYNNSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000418043442 312315361 /nfs/dbraw/zinc/31/53/61/312315361.db2.gz ZCSKBUQADBHOSC-NEWSRXKRSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000418146666 312334433 /nfs/dbraw/zinc/33/44/33/312334433.db2.gz PQXBGDXSOOOJCZ-RTBURBONSA-N 1 3 346.519 2.570 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152696 312335699 /nfs/dbraw/zinc/33/56/99/312335699.db2.gz HSHGQVJEQPSLOM-SJLPKXTDSA-N 1 3 346.519 2.714 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccco1 ZINC000418161886 312337514 /nfs/dbraw/zinc/33/75/14/312337514.db2.gz FKFIBTJUSHLIFP-HUUCEWRRSA-N 1 3 336.480 2.670 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000418171800 312339598 /nfs/dbraw/zinc/33/95/98/312339598.db2.gz VSXNULUNSMRWJS-XUWVNRHRSA-N 1 3 336.480 2.526 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)[C@H]1CC[NH2+]C1 ZINC000418175962 312340238 /nfs/dbraw/zinc/34/02/38/312340238.db2.gz GLEWWABQEYIBAJ-AOIWGVFYSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418183352 312341766 /nfs/dbraw/zinc/34/17/66/312341766.db2.gz OKFMWQNIKQXYBZ-ZMMAXQRCSA-N 1 3 346.519 2.803 20 0 EFADHO C[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)[C@H](c1ccccc1)N(C)C ZINC000418183724 312341806 /nfs/dbraw/zinc/34/18/06/312341806.db2.gz OUOHNGXTTBNNBD-CGTJXYLNSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C ZINC000418187099 312342445 /nfs/dbraw/zinc/34/24/45/312342445.db2.gz SPAQDMVQCHAVBJ-VXNCWWDNSA-N 1 3 344.503 2.522 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418187880 312342771 /nfs/dbraw/zinc/34/27/71/312342771.db2.gz SXFQPZYTCOQTTQ-LZLYRXPVSA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1)N(C)C ZINC000418192080 312343821 /nfs/dbraw/zinc/34/38/21/312343821.db2.gz YHEVIAJVTISFQQ-XKGZKEIXSA-N 1 3 346.519 2.675 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000418192013 312343831 /nfs/dbraw/zinc/34/38/31/312343831.db2.gz YBELRDHUVWRMRZ-CVEARBPZSA-N 1 3 340.899 2.759 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418192855 312344226 /nfs/dbraw/zinc/34/42/26/312344226.db2.gz ZATLEZUEFGUVQP-LNLFQRSKSA-N 1 3 346.519 2.675 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1)N(C)C ZINC000418192433 312344386 /nfs/dbraw/zinc/34/43/86/312344386.db2.gz YTIBHDJXKCJSPS-APWZRJJASA-N 1 3 344.503 2.595 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000418193839 312344757 /nfs/dbraw/zinc/34/47/57/312344757.db2.gz NVLNNYAJZMTNTG-RBUKOAKNSA-N 1 3 346.519 2.524 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418198303 312345749 /nfs/dbraw/zinc/34/57/49/312345749.db2.gz LGCPZEBERUDZJS-QAPCUYQASA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](N)c1ccccc1CC ZINC000418198303 312345750 /nfs/dbraw/zinc/34/57/50/312345750.db2.gz LGCPZEBERUDZJS-QAPCUYQASA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH2+]C)C2)N(CC)CC)cc1 ZINC000418213987 312347976 /nfs/dbraw/zinc/34/79/76/312347976.db2.gz LJKSHAYREDOFTL-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)N(CC)CC)cc1 ZINC000418213961 312348186 /nfs/dbraw/zinc/34/81/86/312348186.db2.gz LHPRGXPQJHBVKG-LJQANCHMSA-N 1 3 346.519 2.683 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N(CC)CC)cc1 ZINC000418218585 312348804 /nfs/dbraw/zinc/34/88/04/312348804.db2.gz QZIMMFSIXRYYQR-CRAIPNDOSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])N(CC)CC)cc1 ZINC000418218590 312348810 /nfs/dbraw/zinc/34/88/10/312348810.db2.gz QZIMMFSIXRYYQR-YJBOKZPZSA-N 1 3 334.508 2.668 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342892 312362381 /nfs/dbraw/zinc/36/23/81/312362381.db2.gz QKDROFJUIXUFQV-RNIPGJKVSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342391 312362536 /nfs/dbraw/zinc/36/25/36/312362536.db2.gz PIBQTXFEQFTYEI-UMGGQSCQSA-N 1 3 343.515 2.616 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCOc2ccc(Cl)c(F)c2)CC1 ZINC000420344350 312363067 /nfs/dbraw/zinc/36/30/67/312363067.db2.gz XVYWMERMRNNSCL-SJORKVTESA-N 1 3 342.842 2.686 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000420344423 312363136 /nfs/dbraw/zinc/36/31/36/312363136.db2.gz SVZGHNUUYGNPHK-UAGQMJEPSA-N 1 3 349.906 2.839 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000420774844 312388001 /nfs/dbraw/zinc/38/80/01/312388001.db2.gz SSVLGBFURPGCAH-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423346449 312414195 /nfs/dbraw/zinc/41/41/95/312414195.db2.gz PHAITYBGDLVXFP-ROUUACIJSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)N2CCCC2)cc1 ZINC000423354801 312414861 /nfs/dbraw/zinc/41/48/61/312414861.db2.gz HBBTXWAIYZTIBE-WDSOQIARSA-N 1 3 329.488 2.636 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423371047 312416929 /nfs/dbraw/zinc/41/69/29/312416929.db2.gz AEYKKCVTJRGYTD-LSDHHAIUSA-N 1 3 347.812 2.753 20 0 EFADHO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1cccc(NS(C)(=O)=O)c1 ZINC000423374304 312417222 /nfs/dbraw/zinc/41/72/22/312417222.db2.gz IGRKWOLGLFTRIN-CYBMUJFWSA-N 1 3 345.468 2.512 20 0 EFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000423380597 312417983 /nfs/dbraw/zinc/41/79/83/312417983.db2.gz HEOBJEIDZHOTQI-DYVFJYSZSA-N 1 3 341.421 2.662 20 0 EFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1 ZINC000423387571 312418730 /nfs/dbraw/zinc/41/87/30/312418730.db2.gz MEVKPFVVCQENRN-CVEARBPZSA-N 1 3 329.410 2.872 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423452545 312420105 /nfs/dbraw/zinc/42/01/05/312420105.db2.gz ZBFKAVYXFXJYRS-SJLPKXTDSA-N 1 3 331.504 2.903 20 0 EFADHO CN1CCO[C@H]([C@@H](NCCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423538570 312431666 /nfs/dbraw/zinc/43/16/66/312431666.db2.gz NECBFPUZXFMTCI-OALUTQOASA-N 1 3 349.906 2.611 20 0 EFADHO CN(C)C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccc(Cl)cc1 ZINC000423751949 312448477 /nfs/dbraw/zinc/44/84/77/312448477.db2.gz AGKALYLLTXOLCL-QGZVFWFLSA-N 1 3 331.847 2.831 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423755835 312449006 /nfs/dbraw/zinc/44/90/06/312449006.db2.gz GEDRKZBTJODAOI-SJLPKXTDSA-N 1 3 335.467 2.624 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423764360 312450202 /nfs/dbraw/zinc/45/02/02/312450202.db2.gz SSFCEUMHOKJXAS-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000423965732 312490464 /nfs/dbraw/zinc/49/04/64/312490464.db2.gz YJLVHDMDALMZHN-UZLBHIALSA-N 1 3 343.515 2.525 20 0 EFADHO C[C@@H]1C[C@@H](C)N(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424081173 312509048 /nfs/dbraw/zinc/50/90/48/312509048.db2.gz WISDZGSZJOULGW-HLIPFELVSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000433174029 312597737 /nfs/dbraw/zinc/59/77/37/312597737.db2.gz MBRYBQDAXCXZGT-RBUKOAKNSA-N 1 3 331.504 2.807 20 0 EFADHO CC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccncc1 ZINC000453146441 312870855 /nfs/dbraw/zinc/87/08/55/312870855.db2.gz OLXLGRDFOILRIS-LJQANCHMSA-N 1 3 340.471 2.614 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)cn1 ZINC000453406540 312899389 /nfs/dbraw/zinc/89/93/89/312899389.db2.gz RMIYBVXXJRHNGE-INIZCTEOSA-N 1 3 328.460 2.619 20 0 EFADHO C[C@H]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000453623621 312921826 /nfs/dbraw/zinc/92/18/26/312921826.db2.gz BTTQRCWDUASGEK-LPHOPBHVSA-N 1 3 331.504 2.874 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000458049007 313061970 /nfs/dbraw/zinc/06/19/70/313061970.db2.gz PEQOBMAXWLBSFC-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000458049007 313061975 /nfs/dbraw/zinc/06/19/75/313061975.db2.gz PEQOBMAXWLBSFC-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048622 313062063 /nfs/dbraw/zinc/06/20/63/313062063.db2.gz OLLFVMKNCYQTEK-RBUKOAKNSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048622 313062066 /nfs/dbraw/zinc/06/20/66/313062066.db2.gz OLLFVMKNCYQTEK-RBUKOAKNSA-N 1 3 346.519 2.722 20 0 EFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459432719 313106018 /nfs/dbraw/zinc/10/60/18/313106018.db2.gz GSLKTNMOOHAXKX-ACBHZAAOSA-N 1 3 345.531 2.690 20 0 EFADHO C[NH+](C)C1CCN(c2ccc(NC3CCN(C4CC4)CC3)nc2)CC1 ZINC000459441703 313106849 /nfs/dbraw/zinc/10/68/49/313106849.db2.gz LCEQTXJPDDGZHU-UHFFFAOYSA-N 1 3 343.519 2.651 20 0 EFADHO CC[C@@H](C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[NH+](CC)CC ZINC000471624043 313143119 /nfs/dbraw/zinc/14/31/19/313143119.db2.gz FUNPITNHVRZTOI-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471789752 313159713 /nfs/dbraw/zinc/15/97/13/313159713.db2.gz RDQUUTHBECQPBY-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471792449 313159975 /nfs/dbraw/zinc/15/99/75/313159975.db2.gz KRQJTNQTMHNSJD-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471792451 313160088 /nfs/dbraw/zinc/16/00/88/313160088.db2.gz KRQJTNQTMHNSJD-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473281493 313197311 /nfs/dbraw/zinc/19/73/11/313197311.db2.gz ZOTBXEOBLMGLTB-IAGOWNOFSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000475100647 313217352 /nfs/dbraw/zinc/21/73/52/313217352.db2.gz JQYLVRRAJJHYOE-SJLPKXTDSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000477243703 313240958 /nfs/dbraw/zinc/24/09/58/313240958.db2.gz NLJHMSRBUXKMIZ-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479478779 313269549 /nfs/dbraw/zinc/26/95/49/313269549.db2.gz XLTWOBHUDULCTD-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479478779 313269551 /nfs/dbraw/zinc/26/95/51/313269551.db2.gz XLTWOBHUDULCTD-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCN(C2CCCC2)CC1 ZINC000483603282 313313886 /nfs/dbraw/zinc/31/38/86/313313886.db2.gz DZKTWOMTWLRSPN-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485329597 313326373 /nfs/dbraw/zinc/32/63/73/313326373.db2.gz KRHPXOVAGDSDAM-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485329597 313326376 /nfs/dbraw/zinc/32/63/76/313326376.db2.gz KRHPXOVAGDSDAM-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000486962343 313352407 /nfs/dbraw/zinc/35/24/07/313352407.db2.gz CDCWCZHYWPWZKK-NSCUHMNNSA-N 1 3 336.483 2.632 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487269472 313381592 /nfs/dbraw/zinc/38/15/92/313381592.db2.gz IGPOCRQOXUMQAR-ARJAWSKDSA-N 1 3 325.456 2.868 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000487287876 313382958 /nfs/dbraw/zinc/38/29/58/313382958.db2.gz KYTWOUNJDRSSKH-OWOJBTEDSA-N 1 3 337.467 2.841 20 0 EFADHO Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCCO2 ZINC000489492969 313582367 /nfs/dbraw/zinc/58/23/67/313582367.db2.gz ZMUZCLQHSLFGIO-MRXNPFEDSA-N 1 3 338.879 2.908 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000489786630 313606529 /nfs/dbraw/zinc/60/65/29/313606529.db2.gz NRSYTBFQGLSXOE-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000492697342 314089200 /nfs/dbraw/zinc/08/92/00/314089200.db2.gz ATLPIFSDCXFBMX-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000492697342 314089202 /nfs/dbraw/zinc/08/92/02/314089202.db2.gz ATLPIFSDCXFBMX-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CC1CCN([C@H](CNC(=O)/C=C/C[NH+](C)C)c2ccccc2)CC1 ZINC000492972229 314196800 /nfs/dbraw/zinc/19/68/00/314196800.db2.gz JIBHJKPGORMAJB-QPGLYAHGSA-N 1 3 329.488 2.694 20 0 EFADHO O=C(/C=C\c1ccccc1)NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000493426627 314352762 /nfs/dbraw/zinc/35/27/62/314352762.db2.gz QHFUFERWIGCKCR-OHTFCBANSA-N 1 3 341.499 2.716 20 0 EFADHO C[C@@H]1CNCC[C@H]1[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496035277 314921908 /nfs/dbraw/zinc/92/19/08/314921908.db2.gz ITOQFYOBUXPOPF-VQIMIIECSA-N 1 3 345.487 2.623 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC000496273097 315007441 /nfs/dbraw/zinc/00/74/41/315007441.db2.gz ISNMFZYVIBDZCC-IAGOWNOFSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496295350 315016334 /nfs/dbraw/zinc/01/63/34/315016334.db2.gz SAOHTMRGMRPSOJ-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496295350 315016335 /nfs/dbraw/zinc/01/63/35/315016335.db2.gz SAOHTMRGMRPSOJ-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496336995 315031764 /nfs/dbraw/zinc/03/17/64/315031764.db2.gz CAOCQCOPQLOJSD-GJYPPUQNSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)C[C@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374279 315044496 /nfs/dbraw/zinc/04/44/96/315044496.db2.gz KPMOARFDQNWJKJ-JKSUJKDBSA-N 1 3 327.513 2.809 20 0 EFADHO CC(C)C[C@H](C[N@H+]1CC[C@@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374279 315044499 /nfs/dbraw/zinc/04/44/99/315044499.db2.gz KPMOARFDQNWJKJ-JKSUJKDBSA-N 1 3 327.513 2.809 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496421086 315061338 /nfs/dbraw/zinc/06/13/38/315061338.db2.gz QLKQSDBSHVRKTR-GPMSIDNRSA-N 1 3 337.508 2.565 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477299 315081074 /nfs/dbraw/zinc/08/10/74/315081074.db2.gz SNKWTWVIKPWUQG-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477299 315081076 /nfs/dbraw/zinc/08/10/76/315081076.db2.gz SNKWTWVIKPWUQG-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496477299 315081079 /nfs/dbraw/zinc/08/10/79/315081079.db2.gz SNKWTWVIKPWUQG-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H](NCC[C@H]2CCC[NH2+]2)CC1 ZINC000496492984 315086789 /nfs/dbraw/zinc/08/67/89/315086789.db2.gz OVBFSMDKXAAZDX-IAGOWNOFSA-N 1 3 331.460 2.772 20 0 EFADHO CN(CC1(CNC(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000496555967 315109461 /nfs/dbraw/zinc/10/94/61/315109461.db2.gz YRNGUWJYNXJMJZ-XYPWUTKMSA-N 1 3 337.508 2.848 20 0 EFADHO CN(CC1(CNC(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000496555967 315109463 /nfs/dbraw/zinc/10/94/63/315109463.db2.gz YRNGUWJYNXJMJZ-XYPWUTKMSA-N 1 3 337.508 2.848 20 0 EFADHO C[NH2+]C[C@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561307 315110712 /nfs/dbraw/zinc/11/07/12/315110712.db2.gz FYCDFYHJWXPLOK-LJQANCHMSA-N 1 3 345.487 2.577 20 0 EFADHO CNC[C@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561307 315110714 /nfs/dbraw/zinc/11/07/14/315110714.db2.gz FYCDFYHJWXPLOK-LJQANCHMSA-N 1 3 345.487 2.577 20 0 EFADHO CNC[C@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561307 315110718 /nfs/dbraw/zinc/11/07/18/315110718.db2.gz FYCDFYHJWXPLOK-LJQANCHMSA-N 1 3 345.487 2.577 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000496566264 315113475 /nfs/dbraw/zinc/11/34/75/315113475.db2.gz CVIBKUNMLMYIQE-HNNXBMFYSA-N 1 3 325.497 2.613 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496677997 315154066 /nfs/dbraw/zinc/15/40/66/315154066.db2.gz BUAYESUMHKXEAG-YYAJDYIMSA-N 1 3 337.508 2.706 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496741619 315178087 /nfs/dbraw/zinc/17/80/87/315178087.db2.gz QTZIMGRWPOYBDE-LUKYLMHMSA-N 1 3 325.497 2.658 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000496756234 315183640 /nfs/dbraw/zinc/18/36/40/315183640.db2.gz IQVKSJDIOBHDOH-HOTGVXAUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496756236 315183772 /nfs/dbraw/zinc/18/37/72/315183772.db2.gz IQVKSJDIOBHDOH-JKSUJKDBSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496758086 315184911 /nfs/dbraw/zinc/18/49/11/315184911.db2.gz LLBNOILBBKRLNK-YJBOKZPZSA-N 1 3 331.460 2.518 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825897 315209811 /nfs/dbraw/zinc/20/98/11/315209811.db2.gz CVMAWBCANQWXKK-GDBMZVCRSA-N 1 3 337.508 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825897 315209814 /nfs/dbraw/zinc/20/98/14/315209814.db2.gz CVMAWBCANQWXKK-GDBMZVCRSA-N 1 3 337.508 2.848 20 0 EFADHO O=C(OCc1ccccc1)N1CCC(C[NH2+]C[C@@H]2CCCNC2)CC1 ZINC000497006687 315275191 /nfs/dbraw/zinc/27/51/91/315275191.db2.gz BHAUXTYLPJMSBO-LJQANCHMSA-N 1 3 345.487 2.624 20 0 EFADHO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCN1C ZINC000497141203 315324962 /nfs/dbraw/zinc/32/49/62/315324962.db2.gz DERTVIJXTNKZRI-IRXDYDNUSA-N 1 3 325.497 2.852 20 0 EFADHO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCN1C ZINC000497141203 315324964 /nfs/dbraw/zinc/32/49/64/315324964.db2.gz DERTVIJXTNKZRI-IRXDYDNUSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2CCC[NH3+])C1 ZINC000497176321 315338049 /nfs/dbraw/zinc/33/80/49/315338049.db2.gz HQZJMEKPXIKKJO-HOTGVXAUSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CCCN)C1 ZINC000497176321 315338051 /nfs/dbraw/zinc/33/80/51/315338051.db2.gz HQZJMEKPXIKKJO-HOTGVXAUSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2CCCN)C1 ZINC000497176321 315338054 /nfs/dbraw/zinc/33/80/54/315338054.db2.gz HQZJMEKPXIKKJO-HOTGVXAUSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)COC(=O)N1CCC(NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000497205444 315349527 /nfs/dbraw/zinc/34/95/27/315349527.db2.gz WJDHGDXAUCIRDC-INIZCTEOSA-N 1 3 325.497 2.611 20 0 EFADHO C[C@@H](C[NH2+]CC1(CNC(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000497235488 315361083 /nfs/dbraw/zinc/36/10/83/315361083.db2.gz GMJPGHDAWMYOJE-HNNXBMFYSA-N 1 3 325.497 2.613 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)CN2CCCC2)CC1 ZINC000497265454 315372424 /nfs/dbraw/zinc/37/24/24/315372424.db2.gz OYBOPEFQKDCUOA-UHFFFAOYSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H](C[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)CN1CCCC1 ZINC000497268596 315373714 /nfs/dbraw/zinc/37/37/14/315373714.db2.gz JTIYMDMCRPUSMQ-GPMSIDNRSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000497291593 315382053 /nfs/dbraw/zinc/38/20/53/315382053.db2.gz DADNVRDGYZTPCV-HNNXBMFYSA-N 1 3 325.497 2.611 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000499126487 315410416 /nfs/dbraw/zinc/41/04/16/315410416.db2.gz LLJQOLCZVPGYTD-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CCCC[NH+](C)C)cc1Cl ZINC000516518409 315681612 /nfs/dbraw/zinc/68/16/12/315681612.db2.gz JCSBGCXEWBEEMU-UHFFFAOYSA-N 1 3 341.883 2.951 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H](C)C1 ZINC000516682816 315697332 /nfs/dbraw/zinc/69/73/32/315697332.db2.gz LRFIKMDYEKPNQI-BWPNAZKDSA-N 1 3 345.531 2.690 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](C2CC2)CC1)[C@H](N)c1ccccc1 ZINC000517731102 315777627 /nfs/dbraw/zinc/77/76/27/315777627.db2.gz MPYARAAKBIUYIG-GOSISDBHSA-N 1 3 329.488 2.703 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000518941559 315835691 /nfs/dbraw/zinc/83/56/91/315835691.db2.gz IZAHMHLIHXDMJX-SFHVURJKSA-N 1 3 328.460 2.527 20 0 EFADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519596763 315878906 /nfs/dbraw/zinc/87/89/06/315878906.db2.gz WONKBKBJORCQND-HSALFYBXSA-N 1 3 332.488 2.763 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)C ZINC000519819989 315918641 /nfs/dbraw/zinc/91/86/41/315918641.db2.gz BTWNOXHXIJBNJJ-WBVHZDCISA-N 1 3 339.911 2.688 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2(C)CC[NH2+]CC2)N2CCCC2)cc1 ZINC000521216112 316007946 /nfs/dbraw/zinc/00/79/46/316007946.db2.gz WPTJBJOMGADSRP-GOSISDBHSA-N 1 3 344.503 2.573 20 0 EFADHO Cc1cccc(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000521862845 316048150 /nfs/dbraw/zinc/04/81/50/316048150.db2.gz MKALVFPEUQGEHU-LJQANCHMSA-N 1 3 328.456 2.586 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000521983214 316058719 /nfs/dbraw/zinc/05/87/19/316058719.db2.gz IAQSPIAVYWRZKJ-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cncc(Br)c1 ZINC000522015695 316065165 /nfs/dbraw/zinc/06/51/65/316065165.db2.gz ZRBVRZLFEFJEQJ-WFASDCNBSA-N 1 3 344.297 2.852 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000522318768 316088955 /nfs/dbraw/zinc/08/89/55/316088955.db2.gz RCQFQCIYVJHILJ-SFHVURJKSA-N 1 3 348.535 2.799 20 0 EFADHO Cc1ccc(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000523303662 316115885 /nfs/dbraw/zinc/11/58/85/316115885.db2.gz DZIWRBGWLJKSBS-UHFFFAOYSA-N 1 3 343.515 2.521 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccccc3C)C[C@H]2C)CC1 ZINC000523438844 316123224 /nfs/dbraw/zinc/12/32/24/316123224.db2.gz SNVVJSVMLAXAFM-QZTJIDSGSA-N 1 3 343.515 2.773 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCC3)C2)CCCCCC1 ZINC000524047110 316146068 /nfs/dbraw/zinc/14/60/68/316146068.db2.gz XSLCUJDNRGPWGC-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO O[C@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000527100527 316334224 /nfs/dbraw/zinc/33/42/24/316334224.db2.gz KDOIYDGTXZCANE-GDBMZVCRSA-N 1 3 334.426 2.934 20 0 EFADHO CC[NH+](CC)CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528348734 316598229 /nfs/dbraw/zinc/59/82/29/316598229.db2.gz FHTKKJBBUMYUFG-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)CCCC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528431287 316620623 /nfs/dbraw/zinc/62/06/23/316620623.db2.gz LTEJYHKEGKWHHJ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530030805 317033822 /nfs/dbraw/zinc/03/38/22/317033822.db2.gz WNYAFNWWSJUADT-APWZRJJASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530030805 317033825 /nfs/dbraw/zinc/03/38/25/317033825.db2.gz WNYAFNWWSJUADT-APWZRJJASA-N 1 3 333.520 2.774 20 0 EFADHO Cc1[nH]c2ccc(F)cc2c1CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530221311 317084400 /nfs/dbraw/zinc/08/44/00/317084400.db2.gz PBQYHNSUMXXQTG-GUDVDZBRSA-N 1 3 345.462 2.905 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248787 317091013 /nfs/dbraw/zinc/09/10/13/317091013.db2.gz PAJIMXVFROWALS-SFHVURJKSA-N 1 3 348.535 2.845 20 0 EFADHO CC1(C)Cc2cc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2O1 ZINC000530248668 317091382 /nfs/dbraw/zinc/09/13/82/317091382.db2.gz OANQLMPDKOXPQB-IBGZPJMESA-N 1 3 344.499 2.991 20 0 EFADHO Cc1ccc2c(C(=O)N(CCN(C)C)CC[NH+](C)C)csc2c1 ZINC000530381017 317117178 /nfs/dbraw/zinc/11/71/78/317117178.db2.gz DCYMRAOOGWKPDJ-UHFFFAOYSA-N 1 3 333.501 2.775 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCCc1ccc(Cl)cc1 ZINC000531118979 317221971 /nfs/dbraw/zinc/22/19/71/317221971.db2.gz QPOOVDLTQRCGFI-UHFFFAOYSA-N 1 3 339.911 2.615 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc(-n3cccn3)c2)C[C@H](C)O1 ZINC000531612355 317290051 /nfs/dbraw/zinc/29/00/51/317290051.db2.gz MSFVUGLXLKWYAZ-HDICACEKSA-N 1 3 342.487 2.851 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000531715800 317303993 /nfs/dbraw/zinc/30/39/93/317303993.db2.gz WLUKCYOGCLQGBW-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963107 317337468 /nfs/dbraw/zinc/33/74/68/317337468.db2.gz CXUSKTXZTITZTI-BEFAXECRSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963107 317337470 /nfs/dbraw/zinc/33/74/70/317337470.db2.gz CXUSKTXZTITZTI-BEFAXECRSA-N 1 3 338.455 2.764 20 0 EFADHO CC(C)[C@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000531969783 317338044 /nfs/dbraw/zinc/33/80/44/317338044.db2.gz SPAQYKMPHMHASB-UXHICEINSA-N 1 3 343.515 2.908 20 0 EFADHO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000536855562 317657660 /nfs/dbraw/zinc/65/76/60/317657660.db2.gz AYFJTMAFMVBFJE-MOPGFXCFSA-N 1 3 331.504 2.892 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(C)CC2)C1(CC)CC ZINC000537295757 317666960 /nfs/dbraw/zinc/66/69/60/317666960.db2.gz MYGJEPXYFBBUFS-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000538393569 317693894 /nfs/dbraw/zinc/69/38/94/317693894.db2.gz OYNNIRLIONVZRK-AQNXPRMDSA-N 1 3 346.515 2.963 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000548883069 318153518 /nfs/dbraw/zinc/15/35/18/318153518.db2.gz KFQLHKLPFIBDCJ-LJQANCHMSA-N 1 3 342.487 2.757 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000550081686 318187447 /nfs/dbraw/zinc/18/74/47/318187447.db2.gz DYQPGRNJEOCNHE-GBESFXJTSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000550081686 318187450 /nfs/dbraw/zinc/18/74/50/318187450.db2.gz DYQPGRNJEOCNHE-GBESFXJTSA-N 1 3 343.515 2.916 20 0 EFADHO C[N@@H+]1CC[C@H](NCCC(=O)Nc2ccccn2)C[C@@H]1c1ccccc1 ZINC000551015683 318200330 /nfs/dbraw/zinc/20/03/30/318200330.db2.gz YRSQORIVPZDNKD-ZWKOTPCHSA-N 1 3 338.455 2.835 20 0 EFADHO C[N@H+]1CC[C@H](NCCC(=O)Nc2ccccn2)C[C@@H]1c1ccccc1 ZINC000551015683 318200332 /nfs/dbraw/zinc/20/03/32/318200332.db2.gz YRSQORIVPZDNKD-ZWKOTPCHSA-N 1 3 338.455 2.835 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552360947 318253262 /nfs/dbraw/zinc/25/32/62/318253262.db2.gz ZZSPDSUSAHDEEF-FGTMMUONSA-N 1 3 346.519 2.623 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552360947 318253264 /nfs/dbraw/zinc/25/32/64/318253264.db2.gz ZZSPDSUSAHDEEF-FGTMMUONSA-N 1 3 346.519 2.623 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCCC[NH+](C)C ZINC000552370211 318253826 /nfs/dbraw/zinc/25/38/26/318253826.db2.gz WUUDYCNXZOKGJZ-UHFFFAOYSA-N 1 3 339.911 2.962 20 0 EFADHO CC[C@H](CNC(=O)CCCC[NH+](C)C)N1CCc2ccccc2C1 ZINC000552547098 318259217 /nfs/dbraw/zinc/25/92/17/318259217.db2.gz PAFWEWLDXXEMFY-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000553179190 318273561 /nfs/dbraw/zinc/27/35/61/318273561.db2.gz SRFRUAZUKGMJMB-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[NH2+]CCC(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000553953906 318297598 /nfs/dbraw/zinc/29/75/98/318297598.db2.gz WFAWDZNBUXVFFD-LJQANCHMSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000554485279 318315624 /nfs/dbraw/zinc/31/56/24/318315624.db2.gz QBWJWWYJPUCCIK-AOIWGVFYSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000554485279 318315626 /nfs/dbraw/zinc/31/56/26/318315626.db2.gz QBWJWWYJPUCCIK-AOIWGVFYSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1)N(C)C ZINC000554485281 318315677 /nfs/dbraw/zinc/31/56/77/318315677.db2.gz QBWJWWYJPUCCIK-LNLFQRSKSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)N(C)C ZINC000554485281 318315679 /nfs/dbraw/zinc/31/56/79/318315679.db2.gz QBWJWWYJPUCCIK-LNLFQRSKSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000554522845 318320206 /nfs/dbraw/zinc/32/02/06/318320206.db2.gz WSEVCHPVTOUVBH-QFBILLFUSA-N 1 3 343.515 2.934 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000554881585 318338953 /nfs/dbraw/zinc/33/89/53/318338953.db2.gz AKAVONGFRKGDPS-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000554881585 318338956 /nfs/dbraw/zinc/33/89/56/318338956.db2.gz AKAVONGFRKGDPS-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000554881585 318338957 /nfs/dbraw/zinc/33/89/57/318338957.db2.gz AKAVONGFRKGDPS-HOTGVXAUSA-N 1 3 333.476 2.732 20 0 EFADHO CN1CCN(CCCC[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000555091359 318345184 /nfs/dbraw/zinc/34/51/84/318345184.db2.gz AMMYTXUBODAARA-UHFFFAOYSA-N 1 3 327.875 2.639 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000556609356 318394937 /nfs/dbraw/zinc/39/49/37/318394937.db2.gz RRAVASMKWKSXQT-APWZRJJASA-N 1 3 332.488 2.869 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556685827 318398992 /nfs/dbraw/zinc/39/89/92/318398992.db2.gz HTEUMXCGKGLQPH-KURKYZTESA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000556685827 318398994 /nfs/dbraw/zinc/39/89/94/318398994.db2.gz HTEUMXCGKGLQPH-KURKYZTESA-N 1 3 337.552 2.932 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000558623890 318478824 /nfs/dbraw/zinc/47/88/24/318478824.db2.gz ZJJDRPUJUGCPCW-IBGZPJMESA-N 1 3 332.488 2.718 20 0 EFADHO COc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1OCc1cccnc1 ZINC000563135570 318744636 /nfs/dbraw/zinc/74/46/36/318744636.db2.gz NDOULDIRLQNVDO-CABCVRRESA-N 1 3 329.444 2.885 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563562374 318797285 /nfs/dbraw/zinc/79/72/85/318797285.db2.gz WZFOMROQZAMBPT-IEBWSBKVSA-N 1 3 344.503 2.512 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000563934572 318830225 /nfs/dbraw/zinc/83/02/25/318830225.db2.gz ONRKSTLOMIJYNC-UHFFFAOYSA-N 1 3 345.409 2.579 20 0 EFADHO [NH3+][C@H]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000563956897 318833292 /nfs/dbraw/zinc/83/32/92/318833292.db2.gz AJJVSKLEYFUOEI-HKUYNNGSSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H](N)c1ccccc1 ZINC000564656791 318878591 /nfs/dbraw/zinc/87/85/91/318878591.db2.gz ZLEBJTNRQKIARI-LSPTXLKHSA-N 1 3 341.499 2.592 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@@H+](CC(C)C)C2)nc1 ZINC000565887038 319011869 /nfs/dbraw/zinc/01/18/69/319011869.db2.gz CVJUYEQCUBJAJS-QGZVFWFLSA-N 1 3 332.492 2.676 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@H]2CCC[N@H+](CC(C)C)C2)nc1 ZINC000565887038 319011872 /nfs/dbraw/zinc/01/18/72/319011872.db2.gz CVJUYEQCUBJAJS-QGZVFWFLSA-N 1 3 332.492 2.676 20 0 EFADHO c1ncn(-c2cccc(CN[C@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)n1 ZINC000565939172 319016523 /nfs/dbraw/zinc/01/65/23/319016523.db2.gz WQNFLMWIMUXUGI-AZUAARDMSA-N 1 3 333.439 2.850 20 0 EFADHO c1ncn(-c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000566091080 319031167 /nfs/dbraw/zinc/03/11/67/319031167.db2.gz LTWGZBIJCBEFTA-IPMKNSEASA-N 1 3 325.460 2.668 20 0 EFADHO C/C=C\c1ccc(OC[C@H](O)CNC2CC[NH+](CC)CC2)c(OC)c1 ZINC000566107572 319033282 /nfs/dbraw/zinc/03/32/82/319033282.db2.gz LVVYOJUCOUIWQO-WLPBJKJWSA-N 1 3 348.487 2.542 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000566109491 319033603 /nfs/dbraw/zinc/03/36/03/319033603.db2.gz QZKNHMBNHSBVJF-LJQANCHMSA-N 1 3 334.504 2.699 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2cccs2)C1 ZINC000566116151 319034958 /nfs/dbraw/zinc/03/49/58/319034958.db2.gz UNJNLDWBYCOKKT-IAGOWNOFSA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2cccs2)C1 ZINC000566116151 319034960 /nfs/dbraw/zinc/03/49/60/319034960.db2.gz UNJNLDWBYCOKKT-IAGOWNOFSA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000566116151 319034961 /nfs/dbraw/zinc/03/49/61/319034961.db2.gz UNJNLDWBYCOKKT-IAGOWNOFSA-N 1 3 340.533 2.583 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000566167649 319042636 /nfs/dbraw/zinc/04/26/36/319042636.db2.gz CIRMGMYHMZVYSF-HZPDHXFCSA-N 1 3 329.488 2.662 20 0 EFADHO CC[C@H]1CC[C@@H](C)N1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566449039 319077488 /nfs/dbraw/zinc/07/74/88/319077488.db2.gz PAQBBXJGNVAKFA-AEFFLSMTSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccc(F)cc1)C(C)(C)C ZINC000566673316 319100544 /nfs/dbraw/zinc/10/05/44/319100544.db2.gz HRRATFMKIKMRGG-WBVHZDCISA-N 1 3 326.456 2.521 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccc(F)cc1)C(C)(C)C ZINC000566673313 319100697 /nfs/dbraw/zinc/10/06/97/319100697.db2.gz HRRATFMKIKMRGG-DOTOQJQBSA-N 1 3 326.456 2.521 20 0 EFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566791428 319110565 /nfs/dbraw/zinc/11/05/65/319110565.db2.gz BHDNKGFKPFBPSX-QKLQHJQFSA-N 1 3 334.504 2.652 20 0 EFADHO CCOC[C@@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566791428 319110568 /nfs/dbraw/zinc/11/05/68/319110568.db2.gz BHDNKGFKPFBPSX-QKLQHJQFSA-N 1 3 334.504 2.652 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)CC3(C)C)CC2)CC1 ZINC000566806161 319112481 /nfs/dbraw/zinc/11/24/81/319112481.db2.gz OSTBIZJCIHIREY-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@H](N)c1ccccc1 ZINC000566845610 319115263 /nfs/dbraw/zinc/11/52/63/319115263.db2.gz FIAJCEKRYZDHJA-WBMJQRKESA-N 1 3 344.484 2.885 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000566915113 319121860 /nfs/dbraw/zinc/12/18/60/319121860.db2.gz GGJFYQHHFFJOKO-PMACEKPBSA-N 1 3 347.547 2.878 20 0 EFADHO CCc1nc2cc(CN[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000567639776 319191357 /nfs/dbraw/zinc/19/13/57/319191357.db2.gz WCIWDWBHBAQPQJ-IAOVAPTHSA-N 1 3 342.487 2.776 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc([C@@H]3C[C@@H]3C)o2)CC[NH2+]CC1 ZINC000567646849 319192338 /nfs/dbraw/zinc/19/23/38/319192338.db2.gz DUHCITPADCVCRX-OFQRWUPVSA-N 1 3 334.460 2.814 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc([C@H]3C[C@H]3C)o2)CC[NH2+]CC1 ZINC000567646850 319192454 /nfs/dbraw/zinc/19/24/54/319192454.db2.gz DUHCITPADCVCRX-YCPHGPKFSA-N 1 3 334.460 2.814 20 0 EFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567674361 319195134 /nfs/dbraw/zinc/19/51/34/319195134.db2.gz JLGUHMFLGPHPIF-JQFCIGGWSA-N 1 3 325.460 2.554 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000567680666 319196236 /nfs/dbraw/zinc/19/62/36/319196236.db2.gz BLUWCUQNRUWETE-QGZVFWFLSA-N 1 3 340.895 2.790 20 0 EFADHO COc1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)O[C@H](C)C2 ZINC000568174581 319253494 /nfs/dbraw/zinc/25/34/94/319253494.db2.gz SQNKBCXUCCXKSR-CQSZACIVSA-N 1 3 330.472 2.983 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000568200170 319257474 /nfs/dbraw/zinc/25/74/74/319257474.db2.gz RAYMREBBYPMWKB-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000568200170 319257475 /nfs/dbraw/zinc/25/74/75/319257475.db2.gz RAYMREBBYPMWKB-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000568227239 319261690 /nfs/dbraw/zinc/26/16/90/319261690.db2.gz VDVBNHJJWVLZAP-IRXDYDNUSA-N 1 3 339.499 2.580 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000568368795 319276625 /nfs/dbraw/zinc/27/66/25/319276625.db2.gz CHZVNCMOFSRPHX-AEFFLSMTSA-N 1 3 346.500 2.857 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1=CCN(C)CC1 ZINC000568383490 319278093 /nfs/dbraw/zinc/27/80/93/319278093.db2.gz OCCBSQLDTGUVMJ-DYVFJYSZSA-N 1 3 342.405 2.849 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568389576 319278927 /nfs/dbraw/zinc/27/89/27/319278927.db2.gz PEOFYAWDCQAEMX-WIYYLYMNSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568389575 319279023 /nfs/dbraw/zinc/27/90/23/319279023.db2.gz PEOFYAWDCQAEMX-RXVVDRJESA-N 1 3 343.515 2.889 20 0 EFADHO [NH3+]Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000568396306 319280326 /nfs/dbraw/zinc/28/03/26/319280326.db2.gz CUXSIPMBMLJVDE-UHFFFAOYSA-N 1 3 337.467 2.674 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000568414964 319282628 /nfs/dbraw/zinc/28/26/28/319282628.db2.gz AZWMWCQMESFMFW-PILAGYSTSA-N 1 3 333.451 2.737 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C[C@H](C)O1 ZINC000568591798 319297569 /nfs/dbraw/zinc/29/75/69/319297569.db2.gz FLGDCGOHAUIWOF-MNZLEMJZSA-N 1 3 332.488 2.689 20 0 EFADHO CNC[C@@](C)(O)C[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638775 319304581 /nfs/dbraw/zinc/30/45/81/319304581.db2.gz FUAPAGSMSVSFFF-KBXCAEBGSA-N 1 3 340.895 2.574 20 0 EFADHO CNC[C@@](C)(O)C[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638775 319304584 /nfs/dbraw/zinc/30/45/84/319304584.db2.gz FUAPAGSMSVSFFF-KBXCAEBGSA-N 1 3 340.895 2.574 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000568847591 319323679 /nfs/dbraw/zinc/32/36/79/319323679.db2.gz QLCBYQQWVPCXSK-QRQLOZEOSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000568964370 319334887 /nfs/dbraw/zinc/33/48/87/319334887.db2.gz LEZIQEQNCRVXBI-RBSFLKMASA-N 1 3 330.476 2.778 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568974030 319335756 /nfs/dbraw/zinc/33/57/56/319335756.db2.gz XYIWMHPQSKRHIY-UHOSZYNNSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[C@@H](N)c1ccccc1 ZINC000569086236 319347056 /nfs/dbraw/zinc/34/70/56/319347056.db2.gz PFPYPFWDVBJSFW-MSOLQXFVSA-N 1 3 329.488 2.703 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000569110098 319349447 /nfs/dbraw/zinc/34/94/47/319349447.db2.gz DWDCOWGGKARTNL-SJORKVTESA-N 1 3 345.487 2.618 20 0 EFADHO CC[NH2+]CCCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000569334913 319371201 /nfs/dbraw/zinc/37/12/01/319371201.db2.gz UWCSLLBGJUDIJG-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000570062133 319441651 /nfs/dbraw/zinc/44/16/51/319441651.db2.gz UCAPQEGOHWVLEJ-WOJBJXKFSA-N 1 3 340.471 2.591 20 0 EFADHO [NH3+]CCC[C@@H](NCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000570143913 319447782 /nfs/dbraw/zinc/44/77/82/319447782.db2.gz FSOYTZHNCQTUCP-GOSISDBHSA-N 1 3 325.460 2.647 20 0 EFADHO CCC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCc2sccc2C1 ZINC000571061034 319539332 /nfs/dbraw/zinc/53/93/32/319539332.db2.gz MXKBYSMOUIUGHZ-JYJNAYRXSA-N 1 3 335.517 2.661 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000571561363 319586126 /nfs/dbraw/zinc/58/61/26/319586126.db2.gz WQVBNIURICFAGV-KBPBESRZSA-N 1 3 329.444 2.742 20 0 EFADHO C[C@H](C[NH2+]CCCCN1CCN(C)CC1)c1cc(F)cc(F)c1 ZINC000572930013 319716718 /nfs/dbraw/zinc/71/67/18/319716718.db2.gz RATNGULBFPMGEY-OAHLLOKOSA-N 1 3 325.447 2.686 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573449029 319767167 /nfs/dbraw/zinc/76/71/67/319767167.db2.gz MOMKTRVWCFSYDS-QZTJIDSGSA-N 1 3 344.503 2.664 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cc2ccccc2s1 ZINC000573651455 319784817 /nfs/dbraw/zinc/78/48/17/319784817.db2.gz ZEIMNLQLWVDREB-UHFFFAOYSA-N 1 3 348.516 2.536 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000574179247 319838644 /nfs/dbraw/zinc/83/86/44/319838644.db2.gz DGXVQFKGOOQCAF-NEWSRXKRSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)cc1 ZINC000574345749 319854149 /nfs/dbraw/zinc/85/41/49/319854149.db2.gz VODGOHXABOWATN-LJQANCHMSA-N 1 3 331.504 2.980 20 0 EFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000574915472 319907596 /nfs/dbraw/zinc/90/75/96/319907596.db2.gz ZWQXDCZWKSQEBI-MRXNPFEDSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCCC[C@H]3N)CC2)oc1C ZINC000574981247 319913664 /nfs/dbraw/zinc/91/36/64/319913664.db2.gz KLDQXGCZMPPBIE-QZTJIDSGSA-N 1 3 334.508 2.753 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1Cl ZINC000575408379 319944039 /nfs/dbraw/zinc/94/40/39/319944039.db2.gz LUKWCMFWFUQJOP-HNNXBMFYSA-N 1 3 339.867 2.751 20 0 EFADHO C[N@H+](CCCNC(=O)C[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000576277809 320000690 /nfs/dbraw/zinc/00/06/90/320000690.db2.gz VUNXDCZKHFAWBW-GOSISDBHSA-N 1 3 331.504 2.717 20 0 EFADHO C[N@@H+](CCCNC(=O)C[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC000576277809 320000693 /nfs/dbraw/zinc/00/06/93/320000693.db2.gz VUNXDCZKHFAWBW-GOSISDBHSA-N 1 3 331.504 2.717 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N([C@H](C)C3CC3)C3CC3)CC2)CC1 ZINC000576289591 320002529 /nfs/dbraw/zinc/00/25/29/320002529.db2.gz JBRSHAKGEVMTAU-MRXNPFEDSA-N 1 3 347.547 2.972 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000576359147 320009572 /nfs/dbraw/zinc/00/95/72/320009572.db2.gz FRBBGEIAVROYHZ-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1noc(C)c1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000576506714 320021935 /nfs/dbraw/zinc/02/19/35/320021935.db2.gz BBWOABVJJNMUOH-PKOBYXMFSA-N 1 3 327.428 2.679 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)N2CCCC2)cc1 ZINC000577163647 320082785 /nfs/dbraw/zinc/08/27/85/320082785.db2.gz HLSJFVLDTNOQDK-WDSOQIARSA-N 1 3 344.503 2.572 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000577548363 320120717 /nfs/dbraw/zinc/12/07/17/320120717.db2.gz HXWWQEQPELVGQX-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO CC[NH+]1CCC(CNCc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000577584678 320123546 /nfs/dbraw/zinc/12/35/46/320123546.db2.gz OKDJDTQEPFKEHQ-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622130 320128851 /nfs/dbraw/zinc/12/88/51/320128851.db2.gz WCQBTUYRXAQBFN-XJKSGUPXSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622130 320128852 /nfs/dbraw/zinc/12/88/52/320128852.db2.gz WCQBTUYRXAQBFN-XJKSGUPXSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622130 320128854 /nfs/dbraw/zinc/12/88/54/320128854.db2.gz WCQBTUYRXAQBFN-XJKSGUPXSA-N 1 3 342.405 2.683 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000577652926 320131762 /nfs/dbraw/zinc/13/17/62/320131762.db2.gz YHPXUSUPRLLISU-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577688242 320133027 /nfs/dbraw/zinc/13/30/27/320133027.db2.gz JSGKFYRZTAYPNH-SCTDSRPQSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000577688242 320133030 /nfs/dbraw/zinc/13/30/30/320133030.db2.gz JSGKFYRZTAYPNH-SCTDSRPQSA-N 1 3 346.519 2.677 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000577856471 320151557 /nfs/dbraw/zinc/15/15/57/320151557.db2.gz MYHZDLQPYWFBAC-DNVCBOLYSA-N 1 3 338.455 2.812 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000578127442 320176233 /nfs/dbraw/zinc/17/62/33/320176233.db2.gz WAYNZSDKGQLWHR-IAGOWNOFSA-N 1 3 345.487 2.619 20 0 EFADHO CC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000578461631 320208662 /nfs/dbraw/zinc/20/86/62/320208662.db2.gz CARSZGKNCWTURJ-APWZRJJASA-N 1 3 346.519 2.709 20 0 EFADHO CN(CCC[NH+](C)C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000578621481 320223299 /nfs/dbraw/zinc/22/32/99/320223299.db2.gz TUPRQLWBDCFIAR-UHFFFAOYSA-N 1 3 332.370 2.580 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000578649903 320226379 /nfs/dbraw/zinc/22/63/79/320226379.db2.gz SKPDRCGKRIAEFJ-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578739523 320234530 /nfs/dbraw/zinc/23/45/30/320234530.db2.gz DHFMJZDXHNTHSE-IBGZPJMESA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578739523 320234531 /nfs/dbraw/zinc/23/45/31/320234531.db2.gz DHFMJZDXHNTHSE-IBGZPJMESA-N 1 3 344.503 2.964 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181493761 323236392 /nfs/dbraw/zinc/23/63/92/323236392.db2.gz HOXZUGUPYSJRPF-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183793908 323348716 /nfs/dbraw/zinc/34/87/16/323348716.db2.gz AVTJLDXUCOMXOH-QFBILLFUSA-N 1 3 331.504 2.894 20 0 EFADHO C[C@@H](CCNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000184741494 323373359 /nfs/dbraw/zinc/37/33/59/323373359.db2.gz BJVSIZIPLZYRLC-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000184969472 323378793 /nfs/dbraw/zinc/37/87/93/323378793.db2.gz FYAUQJNUGAKZSU-IBGZPJMESA-N 1 3 329.488 2.813 20 0 EFADHO O=C(C1CC[NH+](C2CC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000195389301 323525669 /nfs/dbraw/zinc/52/56/69/323525669.db2.gz UKEKZFSCGPOMCC-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CCN(C)C(=O)[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)C(C)C ZINC000296582372 323563577 /nfs/dbraw/zinc/56/35/77/323563577.db2.gz UKZFYFDVHZWSNF-APWZRJJASA-N 1 3 349.519 2.781 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000579348581 323939826 /nfs/dbraw/zinc/93/98/26/323939826.db2.gz UBNBUACEOPWKLM-QRVBRYPASA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000579824964 324038974 /nfs/dbraw/zinc/03/89/74/324038974.db2.gz DWDKLQAIMAKPLQ-OALUTQOASA-N 1 3 334.504 2.897 20 0 EFADHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000579941904 324062244 /nfs/dbraw/zinc/06/22/44/324062244.db2.gz LSZLOYWRCSBTND-CWJKEVGVSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNC2 ZINC000580051064 324086498 /nfs/dbraw/zinc/08/64/98/324086498.db2.gz XQBUYFSGIGBMHB-SFHVURJKSA-N 1 3 330.476 2.922 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000580190623 324117360 /nfs/dbraw/zinc/11/73/60/324117360.db2.gz CHHYCZHMNRSSCE-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCCC12CCCC2 ZINC000580499424 324173169 /nfs/dbraw/zinc/17/31/69/324173169.db2.gz DFWBFHBFHWQDSN-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO c1ccc(C[C@@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000580769164 324231261 /nfs/dbraw/zinc/23/12/61/324231261.db2.gz UZYFWANYDQESQA-FUHWJXTLSA-N 1 3 339.487 2.773 20 0 EFADHO Cc1ccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000580827853 324244813 /nfs/dbraw/zinc/24/48/13/324244813.db2.gz WHMCXEDYOVJLAF-CJNGLKHVSA-N 1 3 333.867 2.836 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000581077404 324301346 /nfs/dbraw/zinc/30/13/46/324301346.db2.gz LLELXAMZAMXUPF-APWZRJJASA-N 1 3 346.519 2.757 20 0 EFADHO CC1=CC[C@@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 ZINC000581118833 324308436 /nfs/dbraw/zinc/30/84/36/324308436.db2.gz MALPFNSCGXATCN-HXUWFJFHSA-N 1 3 341.499 2.972 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000581127263 324310157 /nfs/dbraw/zinc/31/01/57/324310157.db2.gz USSDEPBXIRKENV-OXQOHEQNSA-N 1 3 340.467 2.820 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231681 324331688 /nfs/dbraw/zinc/33/16/88/324331688.db2.gz AFHJVAHMEGHHBT-HZPDHXFCSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231681 324331692 /nfs/dbraw/zinc/33/16/92/324331692.db2.gz AFHJVAHMEGHHBT-HZPDHXFCSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231681 324331694 /nfs/dbraw/zinc/33/16/94/324331694.db2.gz AFHJVAHMEGHHBT-HZPDHXFCSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231682 324331801 /nfs/dbraw/zinc/33/18/01/324331801.db2.gz AFHJVAHMEGHHBT-JKSUJKDBSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231682 324331804 /nfs/dbraw/zinc/33/18/04/324331804.db2.gz AFHJVAHMEGHHBT-JKSUJKDBSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231682 324331806 /nfs/dbraw/zinc/33/18/06/324331806.db2.gz AFHJVAHMEGHHBT-JKSUJKDBSA-N 1 3 338.517 2.514 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000581304568 324347540 /nfs/dbraw/zinc/34/75/40/324347540.db2.gz NMRTWHVZOJXRKX-QUCCMNQESA-N 1 3 331.504 2.820 20 0 EFADHO c1ccc(-c2noc(CCN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000581479225 324387645 /nfs/dbraw/zinc/38/76/45/324387645.db2.gz LSPGIIBJFLDXHG-DLBZAZTESA-N 1 3 326.444 2.743 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000581498507 324393651 /nfs/dbraw/zinc/39/36/51/324393651.db2.gz ARZYTIJSENQRPA-JQHSSLGASA-N 1 3 348.510 2.888 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC2(C)C)CC1 ZINC000582554826 324620264 /nfs/dbraw/zinc/62/02/64/324620264.db2.gz WQNBZMQZMPPKAP-LJQANCHMSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1c(Br)cccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000582677977 324648075 /nfs/dbraw/zinc/64/80/75/324648075.db2.gz ZBODMACMTASPHB-NJZAAPMLSA-N 1 3 327.266 2.599 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000583509920 324825936 /nfs/dbraw/zinc/82/59/36/324825936.db2.gz BAMXALOGBIWKOQ-RRFJBIMHSA-N 1 3 346.393 2.596 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000067734400 472080545 /nfs/dbraw/zinc/08/05/45/472080545.db2.gz JNJGOEJRWSWYLZ-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO CN(C)[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000124086554 473211034 /nfs/dbraw/zinc/21/10/34/473211034.db2.gz PCUOASFCJLMNQN-QGZVFWFLSA-N 1 3 346.519 2.898 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111518445 473217985 /nfs/dbraw/zinc/21/79/85/473217985.db2.gz PHVVLUPGVTUYAZ-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(F)cc1N(C)C ZINC000095968948 473234600 /nfs/dbraw/zinc/23/46/00/473234600.db2.gz DLRQZZKXZNMMON-HNNXBMFYSA-N 1 3 336.499 2.568 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171039182 473260563 /nfs/dbraw/zinc/26/05/63/473260563.db2.gz ROAGJLMRPVCSHA-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171039182 473260570 /nfs/dbraw/zinc/26/05/70/473260570.db2.gz ROAGJLMRPVCSHA-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCCC[NH+]1CCC(C)CC1 ZINC000161777379 473261559 /nfs/dbraw/zinc/26/15/59/473261559.db2.gz IUCJYMIRDDPLFN-CQSZACIVSA-N 1 3 343.313 2.746 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000171054521 473265396 /nfs/dbraw/zinc/26/53/96/473265396.db2.gz ZOPKQPHVJICXJE-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000184901064 473268138 /nfs/dbraw/zinc/26/81/38/473268138.db2.gz BCHSROZRSHPKIS-SFHVURJKSA-N 1 3 346.519 2.711 20 0 EFADHO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000190435458 473273148 /nfs/dbraw/zinc/27/31/48/473273148.db2.gz BKSNBBPKNVSTBI-IRXDYDNUSA-N 1 3 334.508 2.976 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000112465982 473274580 /nfs/dbraw/zinc/27/45/80/473274580.db2.gz RMMHXUWABBQGEI-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000112465982 473274589 /nfs/dbraw/zinc/27/45/89/473274589.db2.gz RMMHXUWABBQGEI-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCC2)N(C)C)cc1 ZINC000112740459 473306302 /nfs/dbraw/zinc/30/63/02/473306302.db2.gz XDOVSYXUWOKJEH-LJQANCHMSA-N 1 3 346.519 2.589 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC1 ZINC000147090105 473306532 /nfs/dbraw/zinc/30/65/32/473306532.db2.gz FWWWYUGPYRPRCY-KRWDZBQOSA-N 1 3 329.488 2.887 20 0 EFADHO CN(CCN1CCCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000112742687 473308295 /nfs/dbraw/zinc/30/82/95/473308295.db2.gz BYUHQEGVTIAWGH-UHFFFAOYSA-N 1 3 344.503 2.520 20 0 EFADHO COc1ccccc1NC(=O)C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000124914432 473325382 /nfs/dbraw/zinc/32/53/82/473325382.db2.gz JQXMCDCADCGABB-QGZVFWFLSA-N 1 3 345.487 2.830 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124994054 473337979 /nfs/dbraw/zinc/33/79/79/473337979.db2.gz SNKGSHKXMCHUGC-MJGOQNOKSA-N 1 3 329.488 2.613 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124994054 473337986 /nfs/dbraw/zinc/33/79/86/473337986.db2.gz SNKGSHKXMCHUGC-MJGOQNOKSA-N 1 3 329.488 2.613 20 0 EFADHO CCOC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177490994 473388762 /nfs/dbraw/zinc/38/87/62/473388762.db2.gz DBLHRZKANPQNBS-CALCHBBNSA-N 1 3 340.508 2.541 20 0 EFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150981942 473391899 /nfs/dbraw/zinc/39/18/99/473391899.db2.gz NPLQKHWBTVCMDW-DLBZAZTESA-N 1 3 333.520 2.803 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)N1CCc2ccccc2C1 ZINC000358698667 475868528 /nfs/dbraw/zinc/86/85/28/475868528.db2.gz WSRMRWVCKPCEHU-POAQFYNOSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000355414956 475917304 /nfs/dbraw/zinc/91/73/04/475917304.db2.gz SNHLGVNEACKYTH-HOTGVXAUSA-N 1 3 349.544 2.949 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000388343412 476777288 /nfs/dbraw/zinc/77/72/88/476777288.db2.gz YCORIVMJQGOQEZ-WIYYLYMNSA-N 1 3 349.478 2.512 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000388343412 476777293 /nfs/dbraw/zinc/77/72/93/476777293.db2.gz YCORIVMJQGOQEZ-WIYYLYMNSA-N 1 3 349.478 2.512 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798100 476780544 /nfs/dbraw/zinc/78/05/44/476780544.db2.gz PSEWVBVZMPDZLO-RDJZCZTQSA-N 1 3 330.472 2.987 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798464 476780730 /nfs/dbraw/zinc/78/07/30/476780730.db2.gz RFBDJUADNOGVHN-KXBFYZLASA-N 1 3 346.496 2.897 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000399363774 476882128 /nfs/dbraw/zinc/88/21/28/476882128.db2.gz ILCLXUZHQDHGMD-UHOSZYNNSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000424079738 477285785 /nfs/dbraw/zinc/28/57/85/477285785.db2.gz UOXITYAZIIBTJT-MDZRGWNJSA-N 1 3 329.488 2.728 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000433137241 477309014 /nfs/dbraw/zinc/30/90/14/477309014.db2.gz SJIAPKVLATYLJC-HZPDHXFCSA-N 1 3 337.533 2.868 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000628425524 479897109 /nfs/dbraw/zinc/89/71/09/479897109.db2.gz NWDMCUAIPCQDNH-PKOBYXMFSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000628425524 479897113 /nfs/dbraw/zinc/89/71/13/479897113.db2.gz NWDMCUAIPCQDNH-PKOBYXMFSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425524 479897123 /nfs/dbraw/zinc/89/71/23/479897123.db2.gz NWDMCUAIPCQDNH-PKOBYXMFSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000628425521 479897893 /nfs/dbraw/zinc/89/78/93/479897893.db2.gz NWDMCUAIPCQDNH-HKUYNNGSSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000628425521 479897897 /nfs/dbraw/zinc/89/78/97/479897897.db2.gz NWDMCUAIPCQDNH-HKUYNNGSSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425521 479897901 /nfs/dbraw/zinc/89/79/01/479897901.db2.gz NWDMCUAIPCQDNH-HKUYNNGSSA-N 1 3 334.504 2.964 20 0 EFADHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000619903470 479917816 /nfs/dbraw/zinc/91/78/16/479917816.db2.gz CCKMTCZLABUOBZ-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000619903470 479917827 /nfs/dbraw/zinc/91/78/27/479917827.db2.gz CCKMTCZLABUOBZ-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000631195653 479952351 /nfs/dbraw/zinc/95/23/51/479952351.db2.gz IULDCYKNZHPTOI-OXQOHEQNSA-N 1 3 337.467 2.643 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000067412303 472030941 /nfs/dbraw/zinc/03/09/41/472030941.db2.gz LCIKKAPHIASDTA-MRXNPFEDSA-N 1 3 334.508 2.620 20 0 EFADHO CC(C)[NH+](CCNC(=O)N(CCN(C)C)Cc1ccccc1)C(C)C ZINC000053957970 472044158 /nfs/dbraw/zinc/04/41/58/472044158.db2.gz RKZBSMXZLDOGHO-UHFFFAOYSA-N 1 3 348.535 2.879 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682399 472070933 /nfs/dbraw/zinc/07/09/33/472070933.db2.gz PLFHIRMJFZAOSS-PKOBYXMFSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682399 472070939 /nfs/dbraw/zinc/07/09/39/472070939.db2.gz PLFHIRMJFZAOSS-PKOBYXMFSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000067704802 472076447 /nfs/dbraw/zinc/07/64/47/472076447.db2.gz RCAWLKINXUIUFQ-OTWHNJEPSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000067704802 472076452 /nfs/dbraw/zinc/07/64/52/472076452.db2.gz RCAWLKINXUIUFQ-OTWHNJEPSA-N 1 3 344.503 2.524 20 0 EFADHO CN(CCNC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000054763039 472113145 /nfs/dbraw/zinc/11/31/45/472113145.db2.gz VVXVNJHNAOZNGN-UHFFFAOYSA-N 1 3 346.519 2.730 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000042845473 472175602 /nfs/dbraw/zinc/17/56/02/472175602.db2.gz ZGCYQTDGPIPJAZ-UHFFFAOYSA-N 1 3 346.519 2.600 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000075751366 472193414 /nfs/dbraw/zinc/19/34/14/472193414.db2.gz XMYHWEQWICHKGM-MRXNPFEDSA-N 1 3 346.519 2.559 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2)CC1 ZINC000085313309 472238097 /nfs/dbraw/zinc/23/80/97/472238097.db2.gz JNRKMFANAOTNMV-AABGKKOBSA-N 1 3 326.484 2.945 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000085360579 472239056 /nfs/dbraw/zinc/23/90/56/472239056.db2.gz OUQJMLSJHTWYRH-FUHWJXTLSA-N 1 3 348.535 2.873 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000085400858 472244467 /nfs/dbraw/zinc/24/44/67/472244467.db2.gz MFTPNXNQYUCKDJ-QFBILLFUSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000085400858 472244471 /nfs/dbraw/zinc/24/44/71/472244471.db2.gz MFTPNXNQYUCKDJ-QFBILLFUSA-N 1 3 346.519 2.620 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000076049195 472251989 /nfs/dbraw/zinc/25/19/89/472251989.db2.gz OBLONGLLOMLPBE-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(CN(C)C)c2)CC1 ZINC000044276804 472295213 /nfs/dbraw/zinc/29/52/13/472295213.db2.gz FXVRCMFRTQPEMO-UHFFFAOYSA-N 1 3 332.492 2.990 20 0 EFADHO COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000044533906 472315214 /nfs/dbraw/zinc/31/52/14/472315214.db2.gz WKGJPUIJRBEKBX-LBPRGKRZSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523693 472331976 /nfs/dbraw/zinc/33/19/76/472331976.db2.gz IDOCTLJYYVNLDT-QGZVFWFLSA-N 1 3 331.504 2.697 20 0 EFADHO C[NH+](C)CCC1CCN(CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000056521744 472332411 /nfs/dbraw/zinc/33/24/11/472332411.db2.gz UGHAAGOPINQPBB-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000056621223 472340113 /nfs/dbraw/zinc/34/01/13/472340113.db2.gz VYBZEFFBMXXJTQ-JKSUJKDBSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000056621223 472340118 /nfs/dbraw/zinc/34/01/18/472340118.db2.gz VYBZEFFBMXXJTQ-JKSUJKDBSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076455876 472349937 /nfs/dbraw/zinc/34/99/37/472349937.db2.gz FEHHTGVOCLYSKG-KRWDZBQOSA-N 1 3 329.488 2.773 20 0 EFADHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000044913404 472352910 /nfs/dbraw/zinc/35/29/10/472352910.db2.gz HSXPDEBZLGOWBV-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)[C@@H](CNCc1ccc(OCC[NH+](C)C)cc1)c1ccco1 ZINC000069645533 472387612 /nfs/dbraw/zinc/38/76/12/472387612.db2.gz MREBKNRFMVGYMW-SFHVURJKSA-N 1 3 331.460 2.613 20 0 EFADHO CC1CCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000057171909 472390144 /nfs/dbraw/zinc/39/01/44/472390144.db2.gz NZOVXRDTNCIHKU-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000057171979 472390458 /nfs/dbraw/zinc/39/04/58/472390458.db2.gz PATYXRJDJULZSN-AZUAARDMSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000057171979 472390465 /nfs/dbraw/zinc/39/04/65/472390465.db2.gz PATYXRJDJULZSN-AZUAARDMSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1ccc(C)c(OCCN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000089269032 472403020 /nfs/dbraw/zinc/40/30/20/472403020.db2.gz VEHQYXXWPBFQGS-UHFFFAOYSA-N 1 3 333.520 2.640 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000154263285 472408544 /nfs/dbraw/zinc/40/85/44/472408544.db2.gz GRBKMWLGFSIMTN-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154312908 472415792 /nfs/dbraw/zinc/41/57/92/472415792.db2.gz BVJLDYXYJUMUID-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO Cc1cc(C)c([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000128205770 472418011 /nfs/dbraw/zinc/41/80/11/472418011.db2.gz WUVPXGLZMYZNLP-MSOLQXFVSA-N 1 3 331.504 2.850 20 0 EFADHO Cc1cc(C)c([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000128205770 472418019 /nfs/dbraw/zinc/41/80/19/472418019.db2.gz WUVPXGLZMYZNLP-MSOLQXFVSA-N 1 3 331.504 2.850 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154334927 472418486 /nfs/dbraw/zinc/41/84/86/472418486.db2.gz CLNDPJLUVDJUDW-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000154456190 472435036 /nfs/dbraw/zinc/43/50/36/472435036.db2.gz QXHZOPPPQAMBIC-QGZVFWFLSA-N 1 3 346.519 2.713 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N(C)C ZINC000116816360 472440475 /nfs/dbraw/zinc/44/04/75/472440475.db2.gz MLMDPUWIDKESCK-MRXNPFEDSA-N 1 3 341.883 2.805 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000069821754 472443364 /nfs/dbraw/zinc/44/33/64/472443364.db2.gz CMIAIILOLRCCBA-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCN(C(C)C)CC2)c1 ZINC000069821754 472443374 /nfs/dbraw/zinc/44/33/74/472443374.db2.gz CMIAIILOLRCCBA-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[N@H+](Cc1ccccc1CNC(=O)CNC1CC1)C1CCCCC1 ZINC000154635667 472454734 /nfs/dbraw/zinc/45/47/34/472454734.db2.gz MRSOTDOHYHXYSG-UHFFFAOYSA-N 1 3 329.488 2.819 20 0 EFADHO C[N@@H+](Cc1ccccc1CNC(=O)CNC1CC1)C1CCCCC1 ZINC000154635667 472454740 /nfs/dbraw/zinc/45/47/40/472454740.db2.gz MRSOTDOHYHXYSG-UHFFFAOYSA-N 1 3 329.488 2.819 20 0 EFADHO NC(=O)c1cccc(CCNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089546385 472458480 /nfs/dbraw/zinc/45/84/80/472458480.db2.gz NBZCPNGBVRZKOB-UHFFFAOYSA-N 1 3 329.488 2.715 20 0 EFADHO NC(=O)c1cccc(CC[NH2+]C2CCN(C3CCCCC3)CC2)c1 ZINC000089546385 472458486 /nfs/dbraw/zinc/45/84/86/472458486.db2.gz NBZCPNGBVRZKOB-UHFFFAOYSA-N 1 3 329.488 2.715 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000128491307 472460130 /nfs/dbraw/zinc/46/01/30/472460130.db2.gz XLTUEQSROMWWJA-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000097428379 472495741 /nfs/dbraw/zinc/49/57/41/472495741.db2.gz FXDLJJCWERDUDP-ROUUACIJSA-N 1 3 340.556 2.584 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000089813989 472512983 /nfs/dbraw/zinc/51/29/83/472512983.db2.gz WSJVIRFREFRADV-FUHIMQAGSA-N 1 3 326.484 2.945 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098030236 472513930 /nfs/dbraw/zinc/51/39/30/472513930.db2.gz BGKCCRDHKBPFQK-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000098030236 472513933 /nfs/dbraw/zinc/51/39/33/472513933.db2.gz BGKCCRDHKBPFQK-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)c1nn(-c2ccccc2)cc1CNCC1(O)CC[NH+](C)CC1 ZINC000077450375 472529000 /nfs/dbraw/zinc/52/90/00/472529000.db2.gz MJLQTPZZIZYFJU-UHFFFAOYSA-N 1 3 342.487 2.542 20 0 EFADHO C[NH+](C)CCC1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000089886771 472535234 /nfs/dbraw/zinc/53/52/34/472535234.db2.gz YIHWGEZYWXXCAE-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO N[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000119461887 472558908 /nfs/dbraw/zinc/55/89/08/472558908.db2.gz QZYLIVRLVREDJV-FQEVSTJZSA-N 1 3 337.467 2.989 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000119654382 472573237 /nfs/dbraw/zinc/57/32/37/472573237.db2.gz XSMUVPVZPDDYBS-CQSZACIVSA-N 1 3 329.444 2.921 20 0 EFADHO C[C@@H](CCN1CCOCC1)[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000090048225 472585627 /nfs/dbraw/zinc/58/56/27/472585627.db2.gz KMJPRRHNYXMDGC-WSTZPKSXSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H](CCN1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000090048225 472585632 /nfs/dbraw/zinc/58/56/32/472585632.db2.gz KMJPRRHNYXMDGC-WSTZPKSXSA-N 1 3 337.552 2.730 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000155688147 472596276 /nfs/dbraw/zinc/59/62/76/472596276.db2.gz VSEJMGJQBXCUBX-QZTJIDSGSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000130367320 472601012 /nfs/dbraw/zinc/60/10/12/472601012.db2.gz TVCFNMFBXQCLSJ-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000155743705 472607850 /nfs/dbraw/zinc/60/78/50/472607850.db2.gz AWHVLVIOAVHUJB-IAGOWNOFSA-N 1 3 347.503 2.525 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090231069 472611104 /nfs/dbraw/zinc/61/11/04/472611104.db2.gz FWJWFUSHPSICKS-HZPDHXFCSA-N 1 3 334.460 2.689 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090231069 472611108 /nfs/dbraw/zinc/61/11/08/472611108.db2.gz FWJWFUSHPSICKS-HZPDHXFCSA-N 1 3 334.460 2.689 20 0 EFADHO CCOC(=O)COc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000130572027 472615048 /nfs/dbraw/zinc/61/50/48/472615048.db2.gz IVVDEPFECNLXNQ-UHFFFAOYSA-N 1 3 348.487 2.792 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000103211580 472618919 /nfs/dbraw/zinc/61/89/19/472618919.db2.gz INASHYCPNFOXBS-UHFFFAOYSA-N 1 3 332.275 2.559 20 0 EFADHO COc1cccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937083 472665785 /nfs/dbraw/zinc/66/57/85/472665785.db2.gz CVRWSSXUARGGIC-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCO[C@@H]2C)cc1OC ZINC000120306859 472666020 /nfs/dbraw/zinc/66/60/20/472666020.db2.gz UZXOLRGRRSFCBV-WBVHZDCISA-N 1 3 336.476 2.683 20 0 EFADHO COc1ccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937408 472666170 /nfs/dbraw/zinc/66/61/70/472666170.db2.gz GRPOGNYEILTKLK-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO COc1cccc([C@H](C)NCc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000090937082 472666363 /nfs/dbraw/zinc/66/63/63/472666363.db2.gz CVRWSSXUARGGIC-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@@H](C)O1 ZINC000120601317 472717319 /nfs/dbraw/zinc/71/73/19/472717319.db2.gz UQKPNYYECUAFLP-HZPDHXFCSA-N 1 3 342.487 2.884 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105068714 472718106 /nfs/dbraw/zinc/71/81/06/472718106.db2.gz YQULIXDPPFFLKI-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105068714 472718111 /nfs/dbraw/zinc/71/81/11/472718111.db2.gz YQULIXDPPFFLKI-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000120623416 472719528 /nfs/dbraw/zinc/71/95/28/472719528.db2.gz AFUFVOACXNZXKB-QGZVFWFLSA-N 1 3 337.533 2.585 20 0 EFADHO Cc1ccc(Cl)cc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120654777 472726041 /nfs/dbraw/zinc/72/60/41/472726041.db2.gz OHYATMMIJGRHCD-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859460 472728706 /nfs/dbraw/zinc/72/87/06/472728706.db2.gz CTVNWVCTRXZRBW-KRWDZBQOSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859460 472728709 /nfs/dbraw/zinc/72/87/09/472728709.db2.gz CTVNWVCTRXZRBW-KRWDZBQOSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859460 472728712 /nfs/dbraw/zinc/72/87/12/472728712.db2.gz CTVNWVCTRXZRBW-KRWDZBQOSA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000072859460 472728715 /nfs/dbraw/zinc/72/87/15/472728715.db2.gz CTVNWVCTRXZRBW-KRWDZBQOSA-N 1 3 339.524 2.907 20 0 EFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1 ZINC000062253189 472734136 /nfs/dbraw/zinc/73/41/36/472734136.db2.gz RWOPUBVDFAZLDS-IYBDPMFKSA-N 1 3 336.476 2.683 20 0 EFADHO CCOC(=O)CCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000132756958 472752309 /nfs/dbraw/zinc/75/23/09/472752309.db2.gz BJDSMTVIKAJNGD-IRXDYDNUSA-N 1 3 340.508 2.541 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000120827354 472753271 /nfs/dbraw/zinc/75/32/71/472753271.db2.gz PZVMTWPCPJOLTK-GOSISDBHSA-N 1 3 349.519 2.771 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000120827354 472753276 /nfs/dbraw/zinc/75/32/76/472753276.db2.gz PZVMTWPCPJOLTK-GOSISDBHSA-N 1 3 349.519 2.771 20 0 EFADHO COc1cccc(CNCCC[N@@H+]2CCCN(C)CC2)c1OC(C)C ZINC000105477028 472754849 /nfs/dbraw/zinc/75/48/49/472754849.db2.gz AMSPPSIEFJQBGL-UHFFFAOYSA-N 1 3 349.519 2.600 20 0 EFADHO COc1cccc(CNCCC[N@H+]2CCCN(C)CC2)c1OC(C)C ZINC000105477028 472754853 /nfs/dbraw/zinc/75/48/53/472754853.db2.gz AMSPPSIEFJQBGL-UHFFFAOYSA-N 1 3 349.519 2.600 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCCO2 ZINC000132988365 472767161 /nfs/dbraw/zinc/76/71/61/472767161.db2.gz IQBYJPYCLTXFJL-HZPDHXFCSA-N 1 3 346.471 2.609 20 0 EFADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000047978716 472791741 /nfs/dbraw/zinc/79/17/41/472791741.db2.gz KRVICXPLINRRSI-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000047978716 472791746 /nfs/dbraw/zinc/79/17/46/472791746.db2.gz KRVICXPLINRRSI-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)CC1 ZINC000133436430 472802888 /nfs/dbraw/zinc/80/28/88/472802888.db2.gz KPANZKRUCQWRAW-GOSISDBHSA-N 1 3 347.528 2.952 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000121129788 472803198 /nfs/dbraw/zinc/80/31/98/472803198.db2.gz DGIHGQCIBNSMBI-IRXDYDNUSA-N 1 3 349.519 2.628 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415638 472807805 /nfs/dbraw/zinc/80/78/05/472807805.db2.gz DIVAURVDOYIQMU-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415638 472807812 /nfs/dbraw/zinc/80/78/12/472807812.db2.gz DIVAURVDOYIQMU-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157644887 472843720 /nfs/dbraw/zinc/84/37/20/472843720.db2.gz ZHEDPGKLTQZFAX-HDICACEKSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000157644887 472843726 /nfs/dbraw/zinc/84/37/26/472843726.db2.gz ZHEDPGKLTQZFAX-HDICACEKSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000157645018 472844278 /nfs/dbraw/zinc/84/42/78/472844278.db2.gz ZHEDPGKLTQZFAX-ROUUACIJSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000079553414 472885931 /nfs/dbraw/zinc/88/59/31/472885931.db2.gz INSIGOXNKRKUKJ-NZSAHSFTSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000079553414 472885936 /nfs/dbraw/zinc/88/59/36/472885936.db2.gz INSIGOXNKRKUKJ-NZSAHSFTSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000073895212 472894851 /nfs/dbraw/zinc/89/48/51/472894851.db2.gz OMRHZUOOFXTMBJ-QGZVFWFLSA-N 1 3 340.895 2.884 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000073895212 472894856 /nfs/dbraw/zinc/89/48/56/472894856.db2.gz OMRHZUOOFXTMBJ-QGZVFWFLSA-N 1 3 340.895 2.884 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000073904503 472898024 /nfs/dbraw/zinc/89/80/24/472898024.db2.gz NTOLDQROAHFNFF-ROUUACIJSA-N 1 3 346.519 2.633 20 0 EFADHO CN1CCC[C@@H](C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000158163377 472900803 /nfs/dbraw/zinc/90/08/03/472900803.db2.gz QXQPKYFUWSGTHO-SFHVURJKSA-N 1 3 333.495 2.764 20 0 EFADHO CC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000134582998 472933269 /nfs/dbraw/zinc/93/32/69/472933269.db2.gz KDHFKXYEKSKLCN-AZUAARDMSA-N 1 3 329.488 2.780 20 0 EFADHO CC[C@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134594809 472934647 /nfs/dbraw/zinc/93/46/47/472934647.db2.gz PJJUYJWKHKDCIV-IMFGXOCKSA-N 1 3 329.488 2.688 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134615601 472939191 /nfs/dbraw/zinc/93/91/91/472939191.db2.gz CJXVVHAMPDEFLC-PZJWPPBQSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)N(C)C)cc1 ZINC000065466190 472948552 /nfs/dbraw/zinc/94/85/52/472948552.db2.gz SMEFEGSFRFXIDD-LJQANCHMSA-N 1 3 348.535 2.827 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000074211281 472963713 /nfs/dbraw/zinc/96/37/13/472963713.db2.gz OWNVMOWFUKUFJM-FUHWJXTLSA-N 1 3 346.519 2.899 20 0 EFADHO CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCCC2)cc1 ZINC000092739872 472976483 /nfs/dbraw/zinc/97/64/83/472976483.db2.gz KCNNNBMPTWMFRG-DLBZAZTESA-N 1 3 331.504 2.748 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000122190838 472986247 /nfs/dbraw/zinc/98/62/47/472986247.db2.gz MPUXQBKRQRKTRI-SFHVURJKSA-N 1 3 345.531 2.993 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC1CCC1 ZINC000092821031 472989911 /nfs/dbraw/zinc/98/99/11/472989911.db2.gz NODKILAHYCMYBJ-UHFFFAOYSA-N 1 3 344.503 2.536 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325647 472990721 /nfs/dbraw/zinc/99/07/21/472990721.db2.gz DIHCOOWTEUSVCP-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325647 472990725 /nfs/dbraw/zinc/99/07/25/472990725.db2.gz DIHCOOWTEUSVCP-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)NC(=O)[C@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820986 472991777 /nfs/dbraw/zinc/99/17/77/472991777.db2.gz BSOGNSOMZPKDKV-IRXDYDNUSA-N 1 3 346.519 2.923 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608475219 480023534 /nfs/dbraw/zinc/02/35/34/480023534.db2.gz PLYAZMQSVKLLDR-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000050802077 473011246 /nfs/dbraw/zinc/01/12/46/473011246.db2.gz KKAZKERWZVWUMN-UHFFFAOYSA-N 1 3 335.879 2.628 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000066174413 473053577 /nfs/dbraw/zinc/05/35/77/473053577.db2.gz LDGICEFRKUCISJ-LJQANCHMSA-N 1 3 346.519 2.805 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCCCCC3)CC2)CC1 ZINC000051758451 473065342 /nfs/dbraw/zinc/06/53/42/473065342.db2.gz LVCWHCORXFWGKO-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000122857614 473066251 /nfs/dbraw/zinc/06/62/51/473066251.db2.gz VRQXNSGLCOUCOG-IKGGRYGDSA-N 1 3 347.503 2.795 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(CN2CCCC2)c1 ZINC000066410556 473090577 /nfs/dbraw/zinc/09/05/77/473090577.db2.gz ANJKCZXIOUIXPS-RBUKOAKNSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(CN2CCCC2)c1 ZINC000066410556 473090582 /nfs/dbraw/zinc/09/05/82/473090582.db2.gz ANJKCZXIOUIXPS-RBUKOAKNSA-N 1 3 327.472 2.639 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1OC ZINC000093405491 473102632 /nfs/dbraw/zinc/10/26/32/473102632.db2.gz DIPXIAIPWXRPGX-WMZOPIPTSA-N 1 3 347.503 2.632 20 0 EFADHO c1ncc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)s1 ZINC000135907890 473120749 /nfs/dbraw/zinc/12/07/49/473120749.db2.gz CWHYYWSXVNKOLQ-UHFFFAOYSA-N 1 3 344.528 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066675658 473134807 /nfs/dbraw/zinc/13/48/07/473134807.db2.gz YOEJYYCFBIPCNF-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000066675658 473134813 /nfs/dbraw/zinc/13/48/13/473134813.db2.gz YOEJYYCFBIPCNF-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000066675707 473135421 /nfs/dbraw/zinc/13/54/21/473135421.db2.gz MPHRRVIEACXAOJ-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000066675707 473135425 /nfs/dbraw/zinc/13/54/25/473135425.db2.gz MPHRRVIEACXAOJ-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CC(=O)Nc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093735015 473136811 /nfs/dbraw/zinc/13/68/11/473136811.db2.gz DQDBAFJYTILKQU-UHFFFAOYSA-N 1 3 345.487 2.722 20 0 EFADHO Cc1nccn1CCCN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000136312634 473151661 /nfs/dbraw/zinc/15/16/61/473151661.db2.gz LYGBPEFSFIUXCL-MRXNPFEDSA-N 1 3 332.492 2.909 20 0 EFADHO CCCC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000081156093 473154941 /nfs/dbraw/zinc/15/49/41/473154941.db2.gz HDGCVSRJRBFVPL-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000110609814 473164675 /nfs/dbraw/zinc/16/46/75/473164675.db2.gz DQFIRRGIVNYUED-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000110609814 473164679 /nfs/dbraw/zinc/16/46/79/473164679.db2.gz DQFIRRGIVNYUED-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[C@@H](C)O1 ZINC000093962046 473165039 /nfs/dbraw/zinc/16/50/39/473165039.db2.gz JYXLFFZIPZXCRZ-HZPDHXFCSA-N 1 3 336.524 2.697 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000162879430 473392798 /nfs/dbraw/zinc/39/27/98/473392798.db2.gz LEVBOMKOPKPLHT-OAGGEKHMSA-N 1 3 334.460 2.955 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113404731 473393047 /nfs/dbraw/zinc/39/30/47/473393047.db2.gz LSBFHCZDOPJTGU-MRXNPFEDSA-N 1 3 338.540 2.859 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCSC3)CC2)c1 ZINC000125325055 473394878 /nfs/dbraw/zinc/39/48/78/473394878.db2.gz RORQWXKMXVTTFE-SFHVURJKSA-N 1 3 333.545 2.992 20 0 EFADHO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000151032546 473398825 /nfs/dbraw/zinc/39/88/25/473398825.db2.gz YYDZBHWAQPFVEU-MRXNPFEDSA-N 1 3 347.503 2.536 20 0 EFADHO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000151047151 473401222 /nfs/dbraw/zinc/40/12/22/473401222.db2.gz JDEJCBOIEYSMOF-INIZCTEOSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CCN1C ZINC000163029483 473406608 /nfs/dbraw/zinc/40/66/08/473406608.db2.gz VFEDNPOZTRULEJ-IAGOWNOFSA-N 1 3 325.566 2.810 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000185389961 473413392 /nfs/dbraw/zinc/41/33/92/473413392.db2.gz CHIYPLGXXRVSLD-MRXNPFEDSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151150374 473416490 /nfs/dbraw/zinc/41/64/90/473416490.db2.gz DILWRRMWVADAPL-QGZVFWFLSA-N 1 3 333.520 2.715 20 0 EFADHO CC[C@@H](CCO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000151150310 473417060 /nfs/dbraw/zinc/41/70/60/473417060.db2.gz DILWRRMWVADAPL-KRWDZBQOSA-N 1 3 333.520 2.715 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1OCCN(C)C ZINC000185432854 473424932 /nfs/dbraw/zinc/42/49/32/473424932.db2.gz VEHHOFMLKDVTDI-KRWDZBQOSA-N 1 3 347.503 2.621 20 0 EFADHO C[C@H](CC1CCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114322216 473453173 /nfs/dbraw/zinc/45/31/73/473453173.db2.gz MMUVWAZWOSHXRS-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178004963 473458990 /nfs/dbraw/zinc/45/89/90/473458990.db2.gz JKQOSEPWXAIQNP-QGZVFWFLSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)CCCOC)cc2)CC1 ZINC000178132845 473469562 /nfs/dbraw/zinc/46/95/62/473469562.db2.gz CKDDOAOONDZHOJ-GOSISDBHSA-N 1 3 333.520 2.729 20 0 EFADHO Cc1cc(Cl)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000178182535 473473272 /nfs/dbraw/zinc/47/32/72/473473272.db2.gz GATMXRFYGBJZKQ-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164599846 473493311 /nfs/dbraw/zinc/49/33/11/473493311.db2.gz ANCDAVWJLDPFCM-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164599846 473493317 /nfs/dbraw/zinc/49/33/17/473493317.db2.gz ANCDAVWJLDPFCM-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164573739 473493605 /nfs/dbraw/zinc/49/36/05/473493605.db2.gz OJVCMCJBRMYSQE-APWZRJJASA-N 1 3 345.487 2.626 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc2)C1 ZINC000164573739 473493611 /nfs/dbraw/zinc/49/36/11/473493611.db2.gz OJVCMCJBRMYSQE-APWZRJJASA-N 1 3 345.487 2.626 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000164604094 473495021 /nfs/dbraw/zinc/49/50/21/473495021.db2.gz ZZGIZPREWKSDPR-MAUKXSAKSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000164604094 473495028 /nfs/dbraw/zinc/49/50/28/473495028.db2.gz ZZGIZPREWKSDPR-MAUKXSAKSA-N 1 3 331.504 2.908 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719586 473496897 /nfs/dbraw/zinc/49/68/97/473496897.db2.gz QVMKVZKGEBVFLR-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719586 473496905 /nfs/dbraw/zinc/49/69/05/473496905.db2.gz QVMKVZKGEBVFLR-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000185719586 473496910 /nfs/dbraw/zinc/49/69/10/473496910.db2.gz QVMKVZKGEBVFLR-QWFCFKBJSA-N 1 3 346.515 2.977 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@H](C)C1 ZINC000178409928 473507179 /nfs/dbraw/zinc/50/71/79/473507179.db2.gz YLYHRAFWGUKXNN-MOPGFXCFSA-N 1 3 325.541 2.589 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@H](C)C1 ZINC000165302823 473508527 /nfs/dbraw/zinc/50/85/27/473508527.db2.gz QHSVSBARIKNZTJ-GIVPXCGWSA-N 1 3 329.532 2.871 20 0 EFADHO Cc1noc(C)c1CCN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000165361749 473510190 /nfs/dbraw/zinc/51/01/90/473510190.db2.gz UGLKXZXMOHBDFH-GASCZTMLSA-N 1 3 335.492 2.655 20 0 EFADHO Cc1noc(C)c1CCN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000165361749 473510194 /nfs/dbraw/zinc/51/01/94/473510194.db2.gz UGLKXZXMOHBDFH-GASCZTMLSA-N 1 3 335.492 2.655 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NCCC[NH+](C)C ZINC000151954537 473510305 /nfs/dbraw/zinc/51/03/05/473510305.db2.gz MAUSLLFPUGQQLN-LBPRGKRZSA-N 1 3 347.381 2.844 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000165687181 473514042 /nfs/dbraw/zinc/51/40/42/473514042.db2.gz SSFGZHJOBCZJCQ-UHOSZYNNSA-N 1 3 329.488 2.799 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165726110 473515565 /nfs/dbraw/zinc/51/55/65/473515565.db2.gz PSUBIAHOBXGUIY-CEXWTWQISA-N 1 3 329.488 2.703 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165954733 473518607 /nfs/dbraw/zinc/51/86/07/473518607.db2.gz YNMARFWIYSFUMB-HOCLYGCPSA-N 1 3 347.503 2.924 20 0 EFADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000165931397 473519091 /nfs/dbraw/zinc/51/90/91/473519091.db2.gz JJTMIJBNIQNSEA-APWZRJJASA-N 1 3 325.456 2.571 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(F)cc1N(C)C ZINC000166030517 473520144 /nfs/dbraw/zinc/52/01/44/473520144.db2.gz LVTKQKQJVDYKNR-HOCLYGCPSA-N 1 3 325.472 2.899 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000166254217 473523231 /nfs/dbraw/zinc/52/32/31/473523231.db2.gz AVZUHDSLPSKALF-HXUWFJFHSA-N 1 3 333.495 2.762 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC ZINC000166288496 473524115 /nfs/dbraw/zinc/52/41/15/473524115.db2.gz IFUPEUSNJHDROL-UHFFFAOYSA-N 1 3 346.302 2.883 20 0 EFADHO Cc1ccc2c(c1)[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000166508673 473527690 /nfs/dbraw/zinc/52/76/90/473527690.db2.gz YXIATXJCINNBNP-PKOBYXMFSA-N 1 3 329.488 2.549 20 0 EFADHO Cc1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000166508673 473527697 /nfs/dbraw/zinc/52/76/97/473527697.db2.gz YXIATXJCINNBNP-PKOBYXMFSA-N 1 3 329.488 2.549 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000166852842 473530634 /nfs/dbraw/zinc/53/06/34/473530634.db2.gz JOHSYDFLPGRNKL-UHFFFAOYSA-N 1 3 330.476 2.521 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168516208 473542684 /nfs/dbraw/zinc/54/26/84/473542684.db2.gz WZVWXJZCHDALDS-QRQLOZEOSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168516208 473542687 /nfs/dbraw/zinc/54/26/87/473542687.db2.gz WZVWXJZCHDALDS-QRQLOZEOSA-N 1 3 331.504 2.871 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000191472791 473543182 /nfs/dbraw/zinc/54/31/82/473543182.db2.gz UXZMQDKWVQOIBS-ROUUACIJSA-N 1 3 325.541 2.540 20 0 EFADHO CCC[C@@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000168571292 473543389 /nfs/dbraw/zinc/54/33/89/473543389.db2.gz CMNIXOVYOTWHHH-HXUWFJFHSA-N 1 3 345.531 2.965 20 0 EFADHO Cc1cc(C)c([C@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1C ZINC000168958912 473545922 /nfs/dbraw/zinc/54/59/22/473545922.db2.gz RSXWDZVCAUXCFF-FQEVSTJZSA-N 1 3 347.547 2.653 20 0 EFADHO CCC[C@@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169206199 473546692 /nfs/dbraw/zinc/54/66/92/473546692.db2.gz GAUQOTORCWPAHB-GOSISDBHSA-N 1 3 332.492 2.531 20 0 EFADHO Cc1cc(NC(=O)[C@@H](N)CC(C)C)ccc1OCC[NH+]1CCCC1 ZINC000169094277 473547098 /nfs/dbraw/zinc/54/70/98/473547098.db2.gz IWNQBDBLMCALFZ-KRWDZBQOSA-N 1 3 333.476 2.782 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000172233917 473555806 /nfs/dbraw/zinc/55/58/06/473555806.db2.gz XNQXVVWVUYTTTM-KRWDZBQOSA-N 1 3 346.519 2.901 20 0 EFADHO N[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000178816914 473571033 /nfs/dbraw/zinc/57/10/33/473571033.db2.gz FSAXTRUAFLGHEM-FQEVSTJZSA-N 1 3 337.467 2.989 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000178931450 473593091 /nfs/dbraw/zinc/59/30/91/473593091.db2.gz RMAGOGLFNBFPBH-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000178955683 473599592 /nfs/dbraw/zinc/59/95/92/473599592.db2.gz NUYRMJKUXOWKMN-AWEZNQCLSA-N 1 3 328.460 2.523 20 0 EFADHO CC[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)CC1CC[NH2+]CC1 ZINC000178955672 473599852 /nfs/dbraw/zinc/59/98/52/473599852.db2.gz NUYRMJKUXOWKMN-CQSZACIVSA-N 1 3 328.460 2.523 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172416854 473605552 /nfs/dbraw/zinc/60/55/52/473605552.db2.gz AYVBZFMUKNKWAR-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172416854 473605556 /nfs/dbraw/zinc/60/55/56/473605556.db2.gz AYVBZFMUKNKWAR-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1Cl ZINC000179018151 473613521 /nfs/dbraw/zinc/61/35/21/473613521.db2.gz JEEJJGXLEPCMFG-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1C1CC1 ZINC000153252102 473616400 /nfs/dbraw/zinc/61/64/00/473616400.db2.gz PPOLYNDJDWODSH-XLIONFOSSA-N 1 3 327.516 2.908 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000153586882 473631049 /nfs/dbraw/zinc/63/10/49/473631049.db2.gz OYWWCPDUKKKABD-SNPRPXQTSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000153586882 473631053 /nfs/dbraw/zinc/63/10/53/473631053.db2.gz OYWWCPDUKKKABD-SNPRPXQTSA-N 1 3 346.393 2.517 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000172532038 473635356 /nfs/dbraw/zinc/63/53/56/473635356.db2.gz FAXZKVVLKNKCOV-SFHVURJKSA-N 1 3 335.467 2.667 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153810742 473642867 /nfs/dbraw/zinc/64/28/67/473642867.db2.gz BBACCOBFAOLVHL-SJORKVTESA-N 1 3 325.566 2.668 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153813056 473644132 /nfs/dbraw/zinc/64/41/32/473644132.db2.gz YORLNSKNQFDNGA-IXDOHACOSA-N 1 3 325.566 2.666 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153812837 473644529 /nfs/dbraw/zinc/64/45/29/473644529.db2.gz YORLNSKNQFDNGA-IKGGRYGDSA-N 1 3 325.566 2.666 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000172729372 473676751 /nfs/dbraw/zinc/67/67/51/473676751.db2.gz ZUEMADRUYRASSF-UHFFFAOYSA-N 1 3 347.528 2.824 20 0 EFADHO CCOC(=O)N1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000186464932 473677998 /nfs/dbraw/zinc/67/79/98/473677998.db2.gz WQVNTRUAAUVKBX-LJQANCHMSA-N 1 3 345.487 2.514 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCOC[C@@H]3C)CC2)c1 ZINC000192462908 473682657 /nfs/dbraw/zinc/68/26/57/473682657.db2.gz MLHZYNZABLRTKF-PZJWPPBQSA-N 1 3 345.531 2.912 20 0 EFADHO CC(C)COC[C@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179388359 473683280 /nfs/dbraw/zinc/68/32/80/473683280.db2.gz JNUIWGZCSHHOGG-HXUWFJFHSA-N 1 3 349.519 2.653 20 0 EFADHO CC(C)COC[C@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000179388359 473683283 /nfs/dbraw/zinc/68/32/83/473683283.db2.gz JNUIWGZCSHHOGG-HXUWFJFHSA-N 1 3 349.519 2.653 20 0 EFADHO C[C@H]1COCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000192483962 473684866 /nfs/dbraw/zinc/68/48/66/473684866.db2.gz IKCWBJIGQCIQRU-AZUAARDMSA-N 1 3 331.504 2.603 20 0 EFADHO Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(OCCN(C)C)c1 ZINC000192586207 473694002 /nfs/dbraw/zinc/69/40/02/473694002.db2.gz SLTGDUMUWKJSLW-UHFFFAOYSA-N 1 3 345.487 2.748 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000179641089 473701595 /nfs/dbraw/zinc/70/15/95/473701595.db2.gz NKLJOOVTWUETTN-VQTJNVASSA-N 1 3 346.515 2.937 20 0 EFADHO C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@H](N)c1ccccc1 ZINC000262674280 473708946 /nfs/dbraw/zinc/70/89/46/473708946.db2.gz QUOPJMUCEYKVSC-SNRMKQJTSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262671100 473710113 /nfs/dbraw/zinc/71/01/13/473710113.db2.gz OFAYHGZGGNIQCA-LMMKCTJWSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269196346 473726915 /nfs/dbraw/zinc/72/69/15/473726915.db2.gz UVXYGKBHVJXXHK-APWZRJJASA-N 1 3 329.488 2.627 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269195299 473727352 /nfs/dbraw/zinc/72/73/52/473727352.db2.gz PCZZYVURJNKYJW-RTBURBONSA-N 1 3 329.488 2.532 20 0 EFADHO CNC(=O)C1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179824752 473735683 /nfs/dbraw/zinc/73/56/83/473735683.db2.gz IYKNZWVKFNKLTG-UHFFFAOYSA-N 1 3 331.504 2.603 20 0 EFADHO CNC(=O)C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179824752 473735688 /nfs/dbraw/zinc/73/56/88/473735688.db2.gz IYKNZWVKFNKLTG-UHFFFAOYSA-N 1 3 331.504 2.603 20 0 EFADHO Fc1cncc([C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)C2CC2)c1 ZINC000281500192 473742179 /nfs/dbraw/zinc/74/21/79/473742179.db2.gz GRQTYQJQQBMZNA-AUUYWEPGSA-N 1 3 333.451 2.762 20 0 EFADHO C[C@H]1C[NH+](CC2CCN(Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000179884066 473748024 /nfs/dbraw/zinc/74/80/24/473748024.db2.gz ZLUSMVNITBCLPR-IRXDYDNUSA-N 1 3 342.487 2.656 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000269254285 473751350 /nfs/dbraw/zinc/75/13/50/473751350.db2.gz JCAYDDXTRVTZES-HXUWFJFHSA-N 1 3 345.531 2.821 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608666566 480066051 /nfs/dbraw/zinc/06/60/51/480066051.db2.gz PBISKARDYCMXBO-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608666566 480066055 /nfs/dbraw/zinc/06/60/55/480066055.db2.gz PBISKARDYCMXBO-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO O=C(CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000246273518 473811501 /nfs/dbraw/zinc/81/15/01/473811501.db2.gz AXMONIFFCPJTTI-ROUUACIJSA-N 1 3 327.472 2.572 20 0 EFADHO O=C(CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc21 ZINC000246273518 473811505 /nfs/dbraw/zinc/81/15/05/473811505.db2.gz AXMONIFFCPJTTI-ROUUACIJSA-N 1 3 327.472 2.572 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287968724 473812179 /nfs/dbraw/zinc/81/21/79/473812179.db2.gz JHBSFISVRBPMPT-JENIJYKNSA-N 1 3 346.519 2.661 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287968724 473812186 /nfs/dbraw/zinc/81/21/86/473812186.db2.gz JHBSFISVRBPMPT-JENIJYKNSA-N 1 3 346.519 2.661 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000173395702 473826428 /nfs/dbraw/zinc/82/64/28/473826428.db2.gz HUFOZLOLUJAIGP-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000173395702 473826432 /nfs/dbraw/zinc/82/64/32/473826432.db2.gz HUFOZLOLUJAIGP-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO COC(=O)CC1(C[N@H+](C)CCC2CCN(c3ccncc3)CC2)CC1 ZINC000281748720 473826543 /nfs/dbraw/zinc/82/65/43/473826543.db2.gz XOMBGSUHCWRZIJ-UHFFFAOYSA-N 1 3 345.487 2.963 20 0 EFADHO COC(=O)CC1(C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)CC1 ZINC000281748720 473826549 /nfs/dbraw/zinc/82/65/49/473826549.db2.gz XOMBGSUHCWRZIJ-UHFFFAOYSA-N 1 3 345.487 2.963 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000288037449 473831343 /nfs/dbraw/zinc/83/13/43/473831343.db2.gz OELDOGLFVQRXII-JENIJYKNSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000288037449 473831348 /nfs/dbraw/zinc/83/13/48/473831348.db2.gz OELDOGLFVQRXII-JENIJYKNSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000288158788 473861802 /nfs/dbraw/zinc/86/18/02/473861802.db2.gz OHSQNXNNFJKVIM-NEPXVJNWSA-N 1 3 346.519 2.659 20 0 EFADHO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000288158788 473861807 /nfs/dbraw/zinc/86/18/07/473861807.db2.gz OHSQNXNNFJKVIM-NEPXVJNWSA-N 1 3 346.519 2.659 20 0 EFADHO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000288158782 473862548 /nfs/dbraw/zinc/86/25/48/473862548.db2.gz OHSQNXNNFJKVIM-FPAYPSAMSA-N 1 3 346.519 2.659 20 0 EFADHO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@@H](c1ccccc1)N(C)C ZINC000288158782 473862552 /nfs/dbraw/zinc/86/25/52/473862552.db2.gz OHSQNXNNFJKVIM-FPAYPSAMSA-N 1 3 346.519 2.659 20 0 EFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000194225221 473863979 /nfs/dbraw/zinc/86/39/79/473863979.db2.gz VXMQCRDZLRDIEU-LJQANCHMSA-N 1 3 341.499 2.642 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246500706 473883467 /nfs/dbraw/zinc/88/34/67/473883467.db2.gz HRMMASSKPNITGJ-SESVDKBCSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246500706 473883475 /nfs/dbraw/zinc/88/34/75/473883475.db2.gz HRMMASSKPNITGJ-SESVDKBCSA-N 1 3 344.499 2.513 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccccc1 ZINC000194367194 473886478 /nfs/dbraw/zinc/88/64/78/473886478.db2.gz BQHZWYTWKMEHAO-KRWDZBQOSA-N 1 3 339.483 2.871 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878367 473904767 /nfs/dbraw/zinc/90/47/67/473904767.db2.gz QQJHAFSQTCOLPQ-GOSISDBHSA-N 1 3 337.458 2.959 20 0 EFADHO C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H](c1ccccc1)N(C)C ZINC000288342196 473914962 /nfs/dbraw/zinc/91/49/62/473914962.db2.gz YVMRIGLAYNPOOV-WMZOPIPTSA-N 1 3 346.519 2.804 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000282061896 473933083 /nfs/dbraw/zinc/93/30/83/473933083.db2.gz BMKSXTLTBPZCID-UHFFFAOYSA-N 1 3 329.410 2.821 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000269963166 473935756 /nfs/dbraw/zinc/93/57/56/473935756.db2.gz VQDIDEWEQKXNMI-IPMKNSEASA-N 1 3 330.472 2.674 20 0 EFADHO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274746813 473941630 /nfs/dbraw/zinc/94/16/30/473941630.db2.gz AYZQBLLLOSJMML-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO c1ccc2c(c1)[nH]c1c2C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000282163362 473966849 /nfs/dbraw/zinc/96/68/49/473966849.db2.gz DMPFYEPVZUYRMT-NVXWUHKLSA-N 1 3 339.483 2.726 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)c2)CC1 ZINC000274823359 473973512 /nfs/dbraw/zinc/97/35/12/473973512.db2.gz XYOJRCKPWWOTOG-INIZCTEOSA-N 1 3 346.519 2.934 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246831783 473975685 /nfs/dbraw/zinc/97/56/85/473975685.db2.gz BDQWBLVVZAQMCQ-HNAYVOBHSA-N 1 3 330.451 2.874 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246831783 473975694 /nfs/dbraw/zinc/97/56/94/473975694.db2.gz BDQWBLVVZAQMCQ-HNAYVOBHSA-N 1 3 330.451 2.874 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000246840782 473978973 /nfs/dbraw/zinc/97/89/73/473978973.db2.gz AXQUUBLSHNYOCX-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000246840782 473978978 /nfs/dbraw/zinc/97/89/78/473978978.db2.gz AXQUUBLSHNYOCX-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000246840782 473978985 /nfs/dbraw/zinc/97/89/85/473978985.db2.gz AXQUUBLSHNYOCX-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(C(F)(F)F)c2)CC1(C)C ZINC000282218160 473985639 /nfs/dbraw/zinc/98/56/39/473985639.db2.gz DUMXPQKDMRDFNJ-UHFFFAOYSA-N 1 3 329.410 2.821 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282234348 473990910 /nfs/dbraw/zinc/99/09/10/473990910.db2.gz IQUIUCIJALPUKV-LJQANCHMSA-N 1 3 331.504 2.688 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C)cc2O[C@H]2CCOC2)[C@@H](C)C1 ZINC000246891010 473994928 /nfs/dbraw/zinc/99/49/28/473994928.db2.gz DUOBAGGXSWQWFQ-WDSOQIARSA-N 1 3 332.488 2.983 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccc(OC)c1 ZINC000180981542 473996083 /nfs/dbraw/zinc/99/60/83/473996083.db2.gz ULOHTESZYCCGTO-AZUAARDMSA-N 1 3 347.503 2.727 20 0 EFADHO C[C@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCC[NH2+]1 ZINC000180995437 473997199 /nfs/dbraw/zinc/99/71/99/473997199.db2.gz RIBJYIKJTCYPSC-CRAIPNDOSA-N 1 3 335.517 2.609 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000246930587 474006733 /nfs/dbraw/zinc/00/67/33/474006733.db2.gz GMLSROFUODDABK-KSVNGYGVSA-N 1 3 347.503 2.601 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000246930587 474006737 /nfs/dbraw/zinc/00/67/37/474006737.db2.gz GMLSROFUODDABK-KSVNGYGVSA-N 1 3 347.503 2.601 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1OC ZINC000195118581 474009355 /nfs/dbraw/zinc/00/93/55/474009355.db2.gz HSTAELIPLDTDGT-MRXNPFEDSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1OC ZINC000195118581 474009366 /nfs/dbraw/zinc/00/93/66/474009366.db2.gz HSTAELIPLDTDGT-MRXNPFEDSA-N 1 3 348.491 2.575 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000195127613 474011341 /nfs/dbraw/zinc/01/13/41/474011341.db2.gz YQODDXJUORWPHV-CVEARBPZSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000195127613 474011347 /nfs/dbraw/zinc/01/13/47/474011347.db2.gz YQODDXJUORWPHV-CVEARBPZSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000246996811 474029567 /nfs/dbraw/zinc/02/95/67/474029567.db2.gz LEVBOMKOPKPLHT-OWCLPIDISA-N 1 3 334.460 2.955 20 0 EFADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1 ZINC000181414322 474034277 /nfs/dbraw/zinc/03/42/77/474034277.db2.gz ZGJHYBYAGCNQCJ-MRXNPFEDSA-N 1 3 325.456 2.889 20 0 EFADHO Cc1ccc2cc(C[NH2+]CCN3CCN(C)C(C)(C)C3)ccc2n1 ZINC000282359459 474036041 /nfs/dbraw/zinc/03/60/41/474036041.db2.gz NEVXZSWYDWUHKU-UHFFFAOYSA-N 1 3 326.488 2.659 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181524506 474043110 /nfs/dbraw/zinc/04/31/10/474043110.db2.gz FZJHOBNOYAQQMY-OTWHNJEPSA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181524473 474044085 /nfs/dbraw/zinc/04/40/85/474044085.db2.gz FZJHOBNOYAQQMY-QRVBRYPASA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264582426 474047688 /nfs/dbraw/zinc/04/76/88/474047688.db2.gz JVQSTHMNSRTNMO-GOSISDBHSA-N 1 3 330.476 2.840 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275040984 474051844 /nfs/dbraw/zinc/05/18/44/474051844.db2.gz YEUOOWQUIXMXHT-DLBZAZTESA-N 1 3 326.843 2.947 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275040990 474052232 /nfs/dbraw/zinc/05/22/32/474052232.db2.gz YEUOOWQUIXMXHT-SJORKVTESA-N 1 3 326.843 2.947 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270278347 474055574 /nfs/dbraw/zinc/05/55/74/474055574.db2.gz VCOKWSNSTRKHBE-LJQANCHMSA-N 1 3 329.488 2.552 20 0 EFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195330932 474060614 /nfs/dbraw/zinc/06/06/14/474060614.db2.gz RXERVMKCYRPCEW-HXUWFJFHSA-N 1 3 341.499 2.814 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282430017 474063365 /nfs/dbraw/zinc/06/33/65/474063365.db2.gz BIBKFKRHYPJRIM-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000174587393 474066146 /nfs/dbraw/zinc/06/61/46/474066146.db2.gz IJJXRBQKGYJBBR-UHFFFAOYSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCN(CC[NH2+]Cc2csc(Br)c2)CC1(C)C ZINC000282459196 474072738 /nfs/dbraw/zinc/07/27/38/474072738.db2.gz TUBYJCLJZPMRBU-UHFFFAOYSA-N 1 3 346.338 2.626 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282469936 474077050 /nfs/dbraw/zinc/07/70/50/474077050.db2.gz PHASEJSFAUCQRL-GOSISDBHSA-N 1 3 330.476 2.755 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000188383784 474078079 /nfs/dbraw/zinc/07/80/79/474078079.db2.gz LWRHEGQVGURHJY-IBGZPJMESA-N 1 3 346.519 2.807 20 0 EFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182049662 474088623 /nfs/dbraw/zinc/08/86/23/474088623.db2.gz CFMIHEPTOIDZTK-HNNXBMFYSA-N 1 3 333.476 2.797 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182060705 474090860 /nfs/dbraw/zinc/09/08/60/474090860.db2.gz WGWMHRBYVBBWSP-QFBILLFUSA-N 1 3 349.494 2.903 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1(C)CC[NH+](C)CC1 ZINC000282533438 474101343 /nfs/dbraw/zinc/10/13/43/474101343.db2.gz BEFHFYDMSZWKKL-UHFFFAOYSA-N 1 3 327.476 2.706 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247328446 474120505 /nfs/dbraw/zinc/12/05/05/474120505.db2.gz IYPVKHHOZUTYLR-YRWFTTLQSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247328446 474120510 /nfs/dbraw/zinc/12/05/10/474120510.db2.gz IYPVKHHOZUTYLR-YRWFTTLQSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000289056114 474132394 /nfs/dbraw/zinc/13/23/94/474132394.db2.gz BQLTXGPENICPPR-CJNGLKHVSA-N 1 3 330.394 2.855 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCC2 ZINC000182258672 474136774 /nfs/dbraw/zinc/13/67/74/474136774.db2.gz ZEYOKWJWESSHJF-ZCNNSNEGSA-N 1 3 344.499 2.691 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182271546 474138380 /nfs/dbraw/zinc/13/83/80/474138380.db2.gz RRYJGGVLIRGCBG-IPMKNSEASA-N 1 3 332.488 2.546 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000289099867 474148660 /nfs/dbraw/zinc/14/86/60/474148660.db2.gz CBZAMEDQNRGBKA-ZACQAIPSSA-N 1 3 346.471 2.773 20 0 EFADHO O=C(NCc1ccc2c(c1)CNC2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188706604 474173281 /nfs/dbraw/zinc/17/32/81/474173281.db2.gz SJDROQOCJFAGGR-HXUWFJFHSA-N 1 3 349.478 2.818 20 0 EFADHO O=C(NCc1ccc2c(c1)CNC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188706604 474173285 /nfs/dbraw/zinc/17/32/85/474173285.db2.gz SJDROQOCJFAGGR-HXUWFJFHSA-N 1 3 349.478 2.818 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(F)c(F)c(F)c1 ZINC000289178233 474173783 /nfs/dbraw/zinc/17/37/83/474173783.db2.gz AGRAAWYJGPIKDK-UHFFFAOYSA-N 1 3 329.410 2.562 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000222903296 474175984 /nfs/dbraw/zinc/17/59/84/474175984.db2.gz YOTFCDDRNAHZBQ-CVEARBPZSA-N 1 3 325.497 2.898 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)c1 ZINC000282775665 474190318 /nfs/dbraw/zinc/19/03/18/474190318.db2.gz OPIPASGSGNTRTO-IEBWSBKVSA-N 1 3 349.494 2.986 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000223820913 474190892 /nfs/dbraw/zinc/19/08/92/474190892.db2.gz JQMGNKYARKFJRV-INIZCTEOSA-N 1 3 325.497 2.754 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289266584 474202345 /nfs/dbraw/zinc/20/23/45/474202345.db2.gz FZXZSBQLUYAVIC-QTXGHNMQSA-N 1 3 346.471 2.684 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289266584 474202353 /nfs/dbraw/zinc/20/23/53/474202353.db2.gz FZXZSBQLUYAVIC-QTXGHNMQSA-N 1 3 346.471 2.684 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000282840069 474213309 /nfs/dbraw/zinc/21/33/09/474213309.db2.gz SRLRHNIRTGVMCD-DBVUQKKJSA-N 1 3 332.488 2.548 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453605 474220094 /nfs/dbraw/zinc/22/00/94/474220094.db2.gz UUFHZZDSZJQGGL-WOJBJXKFSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453605 474220100 /nfs/dbraw/zinc/22/01/00/474220100.db2.gz UUFHZZDSZJQGGL-WOJBJXKFSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464244 474227136 /nfs/dbraw/zinc/22/71/36/474227136.db2.gz PWCMJVUHPOLNSL-IRXDYDNUSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464244 474227145 /nfs/dbraw/zinc/22/71/45/474227145.db2.gz PWCMJVUHPOLNSL-IRXDYDNUSA-N 1 3 346.519 2.679 20 0 EFADHO CN(c1ccccc1C[NH2+]CCCCCCO)C1CCN(C)CC1 ZINC000182693569 474234637 /nfs/dbraw/zinc/23/46/37/474234637.db2.gz NAZGZFQDOFOPAZ-UHFFFAOYSA-N 1 3 333.520 2.859 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275592448 474244882 /nfs/dbraw/zinc/24/48/82/474244882.db2.gz FRZVJQAUFOKWAC-ZWKOTPCHSA-N 1 3 330.476 2.539 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000275592448 474244887 /nfs/dbraw/zinc/24/48/87/474244887.db2.gz FRZVJQAUFOKWAC-ZWKOTPCHSA-N 1 3 330.476 2.539 20 0 EFADHO C[C@H](CN1CCOCC1)[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000248077849 474256881 /nfs/dbraw/zinc/25/68/81/474256881.db2.gz RJSJKNBGHIJXAC-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H](CN1CCOCC1)[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000248077849 474256882 /nfs/dbraw/zinc/25/68/82/474256882.db2.gz RJSJKNBGHIJXAC-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000265601776 474266440 /nfs/dbraw/zinc/26/64/40/474266440.db2.gz CLWBXRGZQLECGZ-QQOXCAACSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000265601776 474266448 /nfs/dbraw/zinc/26/64/48/474266448.db2.gz CLWBXRGZQLECGZ-QQOXCAACSA-N 1 3 329.488 2.653 20 0 EFADHO [O-]c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(C(F)(F)F)c1 ZINC000289444295 474273979 /nfs/dbraw/zinc/27/39/79/474273979.db2.gz GIVYGVYGXZTUHP-HNNXBMFYSA-N 1 3 346.393 2.738 20 0 EFADHO [O-]c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc(C(F)(F)F)c1 ZINC000289444295 474273985 /nfs/dbraw/zinc/27/39/85/474273985.db2.gz GIVYGVYGXZTUHP-HNNXBMFYSA-N 1 3 346.393 2.738 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)CC1 ZINC000236630273 474275704 /nfs/dbraw/zinc/27/57/04/474275704.db2.gz WVNLHONLNLYONY-IBGZPJMESA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236649677 474277378 /nfs/dbraw/zinc/27/73/78/474277378.db2.gz OPGANKKOGVAWCR-WMZOPIPTSA-N 1 3 335.467 2.527 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000283030941 474277519 /nfs/dbraw/zinc/27/75/19/474277519.db2.gz HQLMOHBZMCGALX-MOPGFXCFSA-N 1 3 341.499 2.566 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000283030941 474277526 /nfs/dbraw/zinc/27/75/26/474277526.db2.gz HQLMOHBZMCGALX-MOPGFXCFSA-N 1 3 341.499 2.566 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000236650397 474278383 /nfs/dbraw/zinc/27/83/83/474278383.db2.gz SGNKEMHNHKROOK-IBGZPJMESA-N 1 3 329.488 2.575 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000275679431 474279036 /nfs/dbraw/zinc/27/90/36/474279036.db2.gz PWTQTEIZKHJVNN-UHFFFAOYSA-N 1 3 332.492 2.785 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890623 474279147 /nfs/dbraw/zinc/27/91/47/474279147.db2.gz USAJJFZBKODOPK-DLBZAZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890623 474279150 /nfs/dbraw/zinc/27/91/50/474279150.db2.gz USAJJFZBKODOPK-DLBZAZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236727950 474284605 /nfs/dbraw/zinc/28/46/05/474284605.db2.gz FNPWBXOYLMUOAM-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236727950 474284611 /nfs/dbraw/zinc/28/46/11/474284611.db2.gz FNPWBXOYLMUOAM-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCCC1 ZINC000275696691 474285851 /nfs/dbraw/zinc/28/58/51/474285851.db2.gz JZSFJYQAGAPQJN-VQTJNVASSA-N 1 3 332.488 2.548 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236765736 474285930 /nfs/dbraw/zinc/28/59/30/474285930.db2.gz CULOYUPADUJQRZ-JVPQYHMTSA-N 1 3 329.488 2.847 20 0 EFADHO C[C@@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236788009 474287919 /nfs/dbraw/zinc/28/79/19/474287919.db2.gz SQIAFMUZPMBCTH-CXUOOODFSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1cccc(OC)c1 ZINC000236818307 474290680 /nfs/dbraw/zinc/29/06/80/474290680.db2.gz PTXUPRGVNXPSOK-SFHVURJKSA-N 1 3 347.503 2.713 20 0 EFADHO OCCCSCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248395086 474306316 /nfs/dbraw/zinc/30/63/16/474306316.db2.gz FYFHRULVMZHNPO-XUVXKRRUSA-N 1 3 348.556 2.992 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409006 474312750 /nfs/dbraw/zinc/31/27/50/474312750.db2.gz WCJJWZQSWDOESX-NTDBWNAOSA-N 1 3 348.535 2.518 20 0 EFADHO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409006 474312756 /nfs/dbraw/zinc/31/27/56/474312756.db2.gz WCJJWZQSWDOESX-NTDBWNAOSA-N 1 3 348.535 2.518 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236994892 474319529 /nfs/dbraw/zinc/31/95/29/474319529.db2.gz RFRZNQXWYDBRMQ-CAMMJAKZSA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236994892 474319535 /nfs/dbraw/zinc/31/95/35/474319535.db2.gz RFRZNQXWYDBRMQ-CAMMJAKZSA-N 1 3 331.504 2.871 20 0 EFADHO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133185 474334921 /nfs/dbraw/zinc/33/49/21/474334921.db2.gz WDOVPBFOUPCHCR-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237136340 474344825 /nfs/dbraw/zinc/34/48/25/474344825.db2.gz ITHPEOGSCLLFSD-UXHICEINSA-N 1 3 339.483 2.756 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183716 474346119 /nfs/dbraw/zinc/34/61/19/474346119.db2.gz UFTSPCJTVKVOIP-WAOWUJCRSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183716 474346130 /nfs/dbraw/zinc/34/61/30/474346130.db2.gz UFTSPCJTVKVOIP-WAOWUJCRSA-N 1 3 344.547 2.965 20 0 EFADHO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)c(OCCN(C)C)c1 ZINC000237183527 474352774 /nfs/dbraw/zinc/35/27/74/474352774.db2.gz ADFJJGLHEVRHNF-UHFFFAOYSA-N 1 3 327.428 2.646 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000237198697 474354952 /nfs/dbraw/zinc/35/49/52/474354952.db2.gz IMJNGALYCUKGCJ-QWHCGFSZSA-N 1 3 339.867 2.736 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)CCCCN2)cc1Cl ZINC000237199025 474355200 /nfs/dbraw/zinc/35/52/00/474355200.db2.gz PXMDINCJHCXZCL-KRWDZBQOSA-N 1 3 339.867 2.751 20 0 EFADHO CCN(CC)C[C@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268259 474355627 /nfs/dbraw/zinc/35/56/27/474355627.db2.gz WLWZUWITCGXSSC-RTBURBONSA-N 1 3 343.515 2.812 20 0 EFADHO CCN(CC)C[C@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268259 474355637 /nfs/dbraw/zinc/35/56/37/474355637.db2.gz WLWZUWITCGXSSC-RTBURBONSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000237194426 474356232 /nfs/dbraw/zinc/35/62/32/474356232.db2.gz QFXRRNNVFHRVPC-OALUTQOASA-N 1 3 347.503 2.541 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000283279267 474358219 /nfs/dbraw/zinc/35/82/19/474358219.db2.gz WDWADDMOYLTQRG-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000237267612 474369765 /nfs/dbraw/zinc/36/97/65/474369765.db2.gz SPZHQYZKAUJDHQ-AWEZNQCLSA-N 1 3 329.444 2.566 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237276862 474373240 /nfs/dbraw/zinc/37/32/40/474373240.db2.gz CYWGQIUTIUVWBW-MAUKXSAKSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237276862 474373247 /nfs/dbraw/zinc/37/32/47/474373247.db2.gz CYWGQIUTIUVWBW-MAUKXSAKSA-N 1 3 349.544 2.758 20 0 EFADHO CCCN1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000183367581 474376403 /nfs/dbraw/zinc/37/64/03/474376403.db2.gz SZKPFPQZXZBPMG-UHFFFAOYSA-N 1 3 331.382 2.943 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289718507 474394382 /nfs/dbraw/zinc/39/43/82/474394382.db2.gz GDEZTKGOEFBXRH-YZGWKJHDSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCCN2)CCCC1)c1ccccc1 ZINC000237401693 474396084 /nfs/dbraw/zinc/39/60/84/474396084.db2.gz VRPSYOJOHPNZNR-AEFFLSMTSA-N 1 3 329.488 2.908 20 0 EFADHO C[C@H](C(=O)N(C)C1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237404094 474397533 /nfs/dbraw/zinc/39/75/33/474397533.db2.gz LEJOQFJXUYJWIS-QGZVFWFLSA-N 1 3 343.515 2.540 20 0 EFADHO c1ccc(C[N@H+]2CC[C@@H](N3CCN(C[C@H]4CCSC4)CC3)C2)cc1 ZINC000289743886 474406693 /nfs/dbraw/zinc/40/66/93/474406693.db2.gz QGOXUQHMENDWJC-WOJBJXKFSA-N 1 3 345.556 2.632 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@@H](N3CCN(C[C@H]4CCSC4)CC3)C2)cc1 ZINC000289743886 474406697 /nfs/dbraw/zinc/40/66/97/474406697.db2.gz QGOXUQHMENDWJC-WOJBJXKFSA-N 1 3 345.556 2.632 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237478614 474414137 /nfs/dbraw/zinc/41/41/37/474414137.db2.gz RKCRBSXRYXRVKN-CRAIPNDOSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237478614 474414140 /nfs/dbraw/zinc/41/41/40/474414140.db2.gz RKCRBSXRYXRVKN-CRAIPNDOSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237531868 474424397 /nfs/dbraw/zinc/42/43/97/474424397.db2.gz UXIOTIOEUDFBOV-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237531868 474424403 /nfs/dbraw/zinc/42/44/03/474424403.db2.gz UXIOTIOEUDFBOV-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248757406 474428787 /nfs/dbraw/zinc/42/87/87/474428787.db2.gz GGMZDDYAOUYYTE-FXAWDEMLSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237583081 474432794 /nfs/dbraw/zinc/43/27/94/474432794.db2.gz AHZCIDWNXUHTGL-CGTJXYLNSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237583081 474432799 /nfs/dbraw/zinc/43/27/99/474432799.db2.gz AHZCIDWNXUHTGL-CGTJXYLNSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237586906 474435362 /nfs/dbraw/zinc/43/53/62/474435362.db2.gz GTYSLLIDTJYPCD-SJLPKXTDSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237586906 474435371 /nfs/dbraw/zinc/43/53/71/474435371.db2.gz GTYSLLIDTJYPCD-SJLPKXTDSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237590670 474435744 /nfs/dbraw/zinc/43/57/44/474435744.db2.gz IZBJEIWFSAEKTC-YVWKXTFCSA-N 1 3 329.488 2.688 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000276169416 474439386 /nfs/dbraw/zinc/43/93/86/474439386.db2.gz UYGIWXPOZSGXQW-UHFFFAOYSA-N 1 3 334.508 2.622 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000237618548 474441338 /nfs/dbraw/zinc/44/13/38/474441338.db2.gz ALOLGZSXROSVMP-DNVCBOLYSA-N 1 3 325.456 2.701 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000237673503 474454822 /nfs/dbraw/zinc/45/48/22/474454822.db2.gz PMIDGHHFGLNIJS-INIZCTEOSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3(N)CCCC3)cc2)C1 ZINC000237673503 474454829 /nfs/dbraw/zinc/45/48/29/474454829.db2.gz PMIDGHHFGLNIJS-INIZCTEOSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000276220246 474457575 /nfs/dbraw/zinc/45/75/75/474457575.db2.gz ITYUBTKFMPPION-BRWVUGGUSA-N 1 3 331.504 2.668 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]4CCC[C@H]43)CC2)CC1 ZINC000176382487 474457748 /nfs/dbraw/zinc/45/77/48/474457748.db2.gz FOOWCOOPOPXYDI-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000289858764 474458155 /nfs/dbraw/zinc/45/81/55/474458155.db2.gz BOHKKPBGAQPILU-PBHICJAKSA-N 1 3 336.451 2.912 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000289858764 474458162 /nfs/dbraw/zinc/45/81/62/474458162.db2.gz BOHKKPBGAQPILU-PBHICJAKSA-N 1 3 336.451 2.912 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)N1[C@H](C)CC[C@@H]1C ZINC000276220242 474458396 /nfs/dbraw/zinc/45/83/96/474458396.db2.gz ITYUBTKFMPPION-BBWFWOEESA-N 1 3 331.504 2.668 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000176399379 474463008 /nfs/dbraw/zinc/46/30/08/474463008.db2.gz FWPCUWJCPZRELL-MOPGFXCFSA-N 1 3 346.519 2.723 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237728814 474465733 /nfs/dbraw/zinc/46/57/33/474465733.db2.gz DKAKSZRBCMYWMW-WMZOPIPTSA-N 1 3 329.488 2.593 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237822389 474483111 /nfs/dbraw/zinc/48/31/11/474483111.db2.gz IESOFDUKVGRQLE-PMACEKPBSA-N 1 3 337.467 2.682 20 0 EFADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000289922518 474487112 /nfs/dbraw/zinc/48/71/12/474487112.db2.gz OQNUGNQSHCXVOI-DKGMDFAASA-N 1 3 340.414 2.738 20 0 EFADHO CC[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283757802 474487617 /nfs/dbraw/zinc/48/76/17/474487617.db2.gz MGBBPWCNAVAFMZ-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283757802 474487622 /nfs/dbraw/zinc/48/76/22/474487622.db2.gz MGBBPWCNAVAFMZ-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237887354 474493750 /nfs/dbraw/zinc/49/37/50/474493750.db2.gz ZZLPURFVJUMZKR-QZNYNHHHSA-N 1 3 341.499 2.860 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237916044 474502504 /nfs/dbraw/zinc/50/25/04/474502504.db2.gz JDUVGNRWGVZXGD-IBGZPJMESA-N 1 3 329.488 2.638 20 0 EFADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CCCC1 ZINC000237934627 474506968 /nfs/dbraw/zinc/50/69/68/474506968.db2.gz VVRYITVQJPIXGZ-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO O=C([C@@H]1CC[NH2+]C1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237952393 474509492 /nfs/dbraw/zinc/50/94/92/474509492.db2.gz BULGGLLNUXYCHM-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000237953129 474510100 /nfs/dbraw/zinc/51/01/00/474510100.db2.gz JYOQELYJWZWCOR-UHFFFAOYSA-N 1 3 349.544 2.856 20 0 EFADHO [NH3+]CCCCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000237989186 474516523 /nfs/dbraw/zinc/51/65/23/474516523.db2.gz NTBTXZFRRQNNJV-MRXNPFEDSA-N 1 3 337.533 2.986 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(NC)cc1 ZINC000625932759 480108942 /nfs/dbraw/zinc/10/89/42/480108942.db2.gz IUTTYSHJGIFJSZ-GOSISDBHSA-N 1 3 347.507 2.608 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(NC)cc1 ZINC000625932759 480108946 /nfs/dbraw/zinc/10/89/46/480108946.db2.gz IUTTYSHJGIFJSZ-GOSISDBHSA-N 1 3 347.507 2.608 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N(C)CC1(N(C)C)CCC1)C(C)C ZINC000189975214 474524657 /nfs/dbraw/zinc/52/46/57/474524657.db2.gz NFCQAJNXROBLDG-UHFFFAOYSA-N 1 3 326.529 2.621 20 0 EFADHO C[C@H](NC[C@@](C)(O)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271406889 474531760 /nfs/dbraw/zinc/53/17/60/474531760.db2.gz AAJXGCVNQBNKCH-SWLSCSKDSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000290033672 474535674 /nfs/dbraw/zinc/53/56/74/474535674.db2.gz UHOAQLIIROUKSJ-VQIMIIECSA-N 1 3 344.503 2.535 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000276453450 474548529 /nfs/dbraw/zinc/54/85/29/474548529.db2.gz UTDWNUTYUMMVPV-QUCCMNQESA-N 1 3 328.504 2.867 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000276453450 474548535 /nfs/dbraw/zinc/54/85/35/474548535.db2.gz UTDWNUTYUMMVPV-QUCCMNQESA-N 1 3 328.504 2.867 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)CC)nc2)[C@H](C)C1 ZINC000249347301 474559386 /nfs/dbraw/zinc/55/93/86/474559386.db2.gz FKDYQTIQHBZBMB-IEBWSBKVSA-N 1 3 348.535 2.764 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000625939162 480111769 /nfs/dbraw/zinc/11/17/69/480111769.db2.gz NBRRPLNSNSNNMR-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CC[C@]1(CO)CCCN(C/C=C/C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000249550632 474590338 /nfs/dbraw/zinc/59/03/38/474590338.db2.gz HVFCOVDAOFRGJO-KJBZUCPPSA-N 1 3 338.536 2.512 20 0 EFADHO CC[C@]1(CO)CCCN(C/C=C/C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000249550632 474590340 /nfs/dbraw/zinc/59/03/40/474590340.db2.gz HVFCOVDAOFRGJO-KJBZUCPPSA-N 1 3 338.536 2.512 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000249548896 474590892 /nfs/dbraw/zinc/59/08/92/474590892.db2.gz KQLMMWGFZRAIMD-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO CCN(CC)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184747516 474599993 /nfs/dbraw/zinc/59/99/93/474599993.db2.gz BNIHUHCJASPVIQ-IAGOWNOFSA-N 1 3 331.504 2.601 20 0 EFADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272194588 474605648 /nfs/dbraw/zinc/60/56/48/474605648.db2.gz LALJNJWBIQBJCM-ZMMAXQRCSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000249752743 474610829 /nfs/dbraw/zinc/61/08/29/474610829.db2.gz RZXSJHIDUUJTHW-ZACQAIPSSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249770252 474614328 /nfs/dbraw/zinc/61/43/28/474614328.db2.gz KVTNKCQTECITFI-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000249770252 474614334 /nfs/dbraw/zinc/61/43/34/474614334.db2.gz KVTNKCQTECITFI-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO CCOc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)cc1F ZINC000278356862 474620645 /nfs/dbraw/zinc/62/06/45/474620645.db2.gz IUUBZMOQBVIZHM-UHFFFAOYSA-N 1 3 337.483 2.732 20 0 EFADHO CCOc1ccc(C[NH2+]C[C@H](C)CN2CCN(CC)CC2)cc1F ZINC000278368014 474624052 /nfs/dbraw/zinc/62/40/52/474624052.db2.gz JPPKLLXXZMWXIY-INIZCTEOSA-N 1 3 337.483 2.588 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN1CCCC1 ZINC000267251554 474628428 /nfs/dbraw/zinc/62/84/28/474628428.db2.gz OHOXLZRGKJLEDK-DYXWJJEUSA-N 1 3 345.531 2.770 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000250568180 474633863 /nfs/dbraw/zinc/63/38/63/474633863.db2.gz VJYRRMIKTWQGRD-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN2CCC[C@@H](C)C2)c1 ZINC000250568180 474633867 /nfs/dbraw/zinc/63/38/67/474633867.db2.gz VJYRRMIKTWQGRD-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423559 474640162 /nfs/dbraw/zinc/64/01/62/474640162.db2.gz GHWYRHSLXZOFGT-CVEARBPZSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423559 474640163 /nfs/dbraw/zinc/64/01/63/474640163.db2.gz GHWYRHSLXZOFGT-CVEARBPZSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1=CCN(C)CC1 ZINC000272971538 474654455 /nfs/dbraw/zinc/65/44/55/474654455.db2.gz OLAADXWJRNNHPR-INIZCTEOSA-N 1 3 327.472 2.663 20 0 EFADHO COc1cc(OC)c(OC)cc1CNCC1CC[NH+](C2CC2)CC1 ZINC000278491213 474659759 /nfs/dbraw/zinc/65/97/59/474659759.db2.gz LJJDQFLQJQEGNF-UHFFFAOYSA-N 1 3 334.460 2.676 20 0 EFADHO CCOc1ccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000278513341 474673312 /nfs/dbraw/zinc/67/33/12/474673312.db2.gz PBXWVBGNKPIBHY-UHFFFAOYSA-N 1 3 349.494 2.873 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@H]1CCC[C@H](O)C1)C1CCN(C)CC1 ZINC000305097334 474689951 /nfs/dbraw/zinc/68/99/51/474689951.db2.gz VKIJVVMURKLHKG-PXNSSMCTSA-N 1 3 345.531 2.858 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000252696274 474708984 /nfs/dbraw/zinc/70/89/84/474708984.db2.gz XQDVLUKPLCWBGL-PWRODBHTSA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000252696274 474708991 /nfs/dbraw/zinc/70/89/91/474708991.db2.gz XQDVLUKPLCWBGL-PWRODBHTSA-N 1 3 346.515 2.759 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000253336134 474720960 /nfs/dbraw/zinc/72/09/60/474720960.db2.gz HZNIVATUTZXCOS-JBACZVJFSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000338910579 474724273 /nfs/dbraw/zinc/72/42/73/474724273.db2.gz ATTXMFLOTAHISK-BEFAXECRSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158816 474748754 /nfs/dbraw/zinc/74/87/54/474748754.db2.gz BHSWOBPTOGQMJH-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158816 474748762 /nfs/dbraw/zinc/74/87/62/474748762.db2.gz BHSWOBPTOGQMJH-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000273172552 474757063 /nfs/dbraw/zinc/75/70/63/474757063.db2.gz FEJAUGASFLPAPC-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000273172552 474757073 /nfs/dbraw/zinc/75/70/73/474757073.db2.gz FEJAUGASFLPAPC-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000340899769 474762127 /nfs/dbraw/zinc/76/21/27/474762127.db2.gz YYRZMOHUGMXHCM-QRQLOZEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000340899769 474762136 /nfs/dbraw/zinc/76/21/36/474762136.db2.gz YYRZMOHUGMXHCM-QRQLOZEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000305771720 474776545 /nfs/dbraw/zinc/77/65/45/474776545.db2.gz ZPOXCMDLMOMNNO-GJZGRUSLSA-N 1 3 337.533 2.909 20 0 EFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000305771720 474776551 /nfs/dbraw/zinc/77/65/51/474776551.db2.gz ZPOXCMDLMOMNNO-GJZGRUSLSA-N 1 3 337.533 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCCCC1 ZINC000344730974 474785938 /nfs/dbraw/zinc/78/59/38/474785938.db2.gz ZEZWOCGZCHMROD-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)N1CCCCC1 ZINC000344730974 474785946 /nfs/dbraw/zinc/78/59/46/474785946.db2.gz ZEZWOCGZCHMROD-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000340928547 474786480 /nfs/dbraw/zinc/78/64/80/474786480.db2.gz DRVLHGIZGFEPRK-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000340928547 474786486 /nfs/dbraw/zinc/78/64/86/474786486.db2.gz DRVLHGIZGFEPRK-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000340929324 474787103 /nfs/dbraw/zinc/78/71/03/474787103.db2.gz DRVLHGIZGFEPRK-QRQLOZEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000340929324 474787110 /nfs/dbraw/zinc/78/71/10/474787110.db2.gz DRVLHGIZGFEPRK-QRQLOZEOSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)N1CCCCC1 ZINC000344730949 474787388 /nfs/dbraw/zinc/78/73/88/474787388.db2.gz ZEZWOCGZCHMROD-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)N1CCCCC1 ZINC000344730949 474787394 /nfs/dbraw/zinc/78/73/94/474787394.db2.gz ZEZWOCGZCHMROD-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000340932805 474790474 /nfs/dbraw/zinc/79/04/74/474790474.db2.gz XMAMGEDYDQEVAU-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000623055011 480126396 /nfs/dbraw/zinc/12/63/96/480126396.db2.gz FQZDHSRHMDWYCX-ROUUACIJSA-N 1 3 330.476 2.887 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000338979307 474797963 /nfs/dbraw/zinc/79/79/63/474797963.db2.gz HNWAKMJDJBLYCO-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000338979307 474797972 /nfs/dbraw/zinc/79/79/72/474797972.db2.gz HNWAKMJDJBLYCO-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@@H+]1C ZINC000338979306 474798707 /nfs/dbraw/zinc/79/87/07/474798707.db2.gz HNWAKMJDJBLYCO-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)CN(C)Cc2ccccc2)CC[N@H+]1C ZINC000338979306 474798708 /nfs/dbraw/zinc/79/87/08/474798708.db2.gz HNWAKMJDJBLYCO-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000340944092 474804848 /nfs/dbraw/zinc/80/48/48/474804848.db2.gz ZIWCNZSYIHTFCS-KZNAEPCWSA-N 1 3 338.540 2.525 20 0 EFADHO CC(C)Oc1ccccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000340952515 474812455 /nfs/dbraw/zinc/81/24/55/474812455.db2.gz JZPBGQOKPWLFEE-UHFFFAOYSA-N 1 3 333.520 2.932 20 0 EFADHO C[C@](O)(C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309857007 474821604 /nfs/dbraw/zinc/82/16/04/474821604.db2.gz LMOWDKAQMKQXCI-CVEARBPZSA-N 1 3 330.394 2.802 20 0 EFADHO CC(C)COCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000337247669 474823786 /nfs/dbraw/zinc/82/37/86/474823786.db2.gz KIWRYJNGMBKEMQ-QZTJIDSGSA-N 1 3 326.525 2.870 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCN1CC)[NH+]1CCCC1 ZINC000340965180 474826806 /nfs/dbraw/zinc/82/68/06/474826806.db2.gz LQARASMMTPBHQZ-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000340965047 474827106 /nfs/dbraw/zinc/82/71/06/474827106.db2.gz SPEFNMQHDIFOPK-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345029960 474831699 /nfs/dbraw/zinc/83/16/99/474831699.db2.gz VBKYLRUGZQTCKC-BDXSIMOUSA-N 1 3 331.504 2.884 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345029960 474831710 /nfs/dbraw/zinc/83/17/10/474831710.db2.gz VBKYLRUGZQTCKC-BDXSIMOUSA-N 1 3 331.504 2.884 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292089901 474841463 /nfs/dbraw/zinc/84/14/63/474841463.db2.gz NCKWMORZGPITOY-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000623072853 480129205 /nfs/dbraw/zinc/12/92/05/480129205.db2.gz RMRZNORMJXXUHG-UHFFFAOYSA-N 1 3 330.407 2.668 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000340991598 474856532 /nfs/dbraw/zinc/85/65/32/474856532.db2.gz WNLHWZZZGPSFKC-LPHOPBHVSA-N 1 3 344.503 2.564 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c(C)c2)CC1 ZINC000292121488 474859740 /nfs/dbraw/zinc/85/97/40/474859740.db2.gz QNCIMENMRGANDB-KRWDZBQOSA-N 1 3 344.503 2.608 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)C1 ZINC000292138624 474868088 /nfs/dbraw/zinc/86/80/88/474868088.db2.gz HRCVAMYDXKWHOA-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)C1 ZINC000292138624 474868095 /nfs/dbraw/zinc/86/80/95/474868095.db2.gz HRCVAMYDXKWHOA-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268225558 474872485 /nfs/dbraw/zinc/87/24/85/474872485.db2.gz RIJJWPRLTGNKHJ-OXJNMPFZSA-N 1 3 341.499 2.885 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000292190666 474894561 /nfs/dbraw/zinc/89/45/61/474894561.db2.gz XNEZNIJIRDTKGX-IEBWSBKVSA-N 1 3 347.503 2.727 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1cc(F)ccc1Br ZINC000623087820 480133389 /nfs/dbraw/zinc/13/33/89/480133389.db2.gz JYEZQZUKPPWUQK-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1cc(F)ccc1Br ZINC000623087820 480133392 /nfs/dbraw/zinc/13/33/92/480133392.db2.gz JYEZQZUKPPWUQK-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(CCCNCc1cc(F)ccc1Br)CC[NH+](C)C ZINC000623087820 480133395 /nfs/dbraw/zinc/13/33/95/480133395.db2.gz JYEZQZUKPPWUQK-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(C)CC[N@H+](C)CCCNCc1cccc(F)c1Br ZINC000623087308 480132644 /nfs/dbraw/zinc/13/26/44/480132644.db2.gz KFSSXJFRLXNJFS-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO COc1ccccc1N1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068876 474898553 /nfs/dbraw/zinc/89/85/53/474898553.db2.gz IIWFATBTIXHNDM-MSOLQXFVSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068876 474898558 /nfs/dbraw/zinc/89/85/58/474898558.db2.gz IIWFATBTIXHNDM-MSOLQXFVSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339068876 474898563 /nfs/dbraw/zinc/89/85/63/474898563.db2.gz IIWFATBTIXHNDM-MSOLQXFVSA-N 1 3 329.488 2.880 20 0 EFADHO CN(C)CC[N@@H+](C)CCCNCc1cccc(F)c1Br ZINC000623087308 480132650 /nfs/dbraw/zinc/13/26/50/480132650.db2.gz KFSSXJFRLXNJFS-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO CN(CCCNCc1cccc(F)c1Br)CC[NH+](C)C ZINC000623087308 480132657 /nfs/dbraw/zinc/13/26/57/480132657.db2.gz KFSSXJFRLXNJFS-UHFFFAOYSA-N 1 3 346.288 2.561 20 0 EFADHO C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000337328745 474900908 /nfs/dbraw/zinc/90/09/08/474900908.db2.gz FGNSFSUGCIYSFT-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341049393 474915234 /nfs/dbraw/zinc/91/52/34/474915234.db2.gz HOUQUEWSCNHCDO-YVSFHVDLSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341049393 474915244 /nfs/dbraw/zinc/91/52/44/474915244.db2.gz HOUQUEWSCNHCDO-YVSFHVDLSA-N 1 3 338.540 2.525 20 0 EFADHO CC(C)OC[C@@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000337344240 474917324 /nfs/dbraw/zinc/91/73/24/474917324.db2.gz TUTKQWXFCAOVJH-LJQANCHMSA-N 1 3 333.520 2.992 20 0 EFADHO C[C@@H](CNC[C@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000320783985 474919285 /nfs/dbraw/zinc/91/92/85/474919285.db2.gz VUKCPOJZIBIMIN-YJBOKZPZSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000320783985 474919291 /nfs/dbraw/zinc/91/92/91/474919291.db2.gz VUKCPOJZIBIMIN-YJBOKZPZSA-N 1 3 340.895 2.539 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000341057056 474925907 /nfs/dbraw/zinc/92/59/07/474925907.db2.gz NOMYRIHMXHQGSU-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000341057056 474925913 /nfs/dbraw/zinc/92/59/13/474925913.db2.gz NOMYRIHMXHQGSU-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000337353916 474929722 /nfs/dbraw/zinc/92/97/22/474929722.db2.gz CHVREECIJPWHQQ-SFHVURJKSA-N 1 3 346.519 2.540 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000337353916 474929731 /nfs/dbraw/zinc/92/97/31/474929731.db2.gz CHVREECIJPWHQQ-SFHVURJKSA-N 1 3 346.519 2.540 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCCC[C@H]1C ZINC000337355345 474931850 /nfs/dbraw/zinc/93/18/50/474931850.db2.gz DRQBHIIVYAYRQJ-IAGOWNOFSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCCC[C@H]1C ZINC000337355345 474931857 /nfs/dbraw/zinc/93/18/57/474931857.db2.gz DRQBHIIVYAYRQJ-IAGOWNOFSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCC[C@H]1C ZINC000337388920 474966802 /nfs/dbraw/zinc/96/68/02/474966802.db2.gz YJVYWOBPZGHZTR-HUUCEWRRSA-N 1 3 338.540 2.858 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC[C@H](C)C1 ZINC000337391767 474970470 /nfs/dbraw/zinc/97/04/70/474970470.db2.gz ZWXJLUZQIVQJGS-DLBZAZTESA-N 1 3 338.540 2.718 20 0 EFADHO CCc1cc(OC)ccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000337399082 474977290 /nfs/dbraw/zinc/97/72/90/474977290.db2.gz QLZLLLIIYVKWKJ-LAUBAEHRSA-N 1 3 345.531 2.715 20 0 EFADHO C[C@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000261577712 474985328 /nfs/dbraw/zinc/98/53/28/474985328.db2.gz ONCJSSNLMFEMGC-GIVPXCGWSA-N 1 3 345.531 2.645 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261607591 474991978 /nfs/dbraw/zinc/99/19/78/474991978.db2.gz AVGZWUGNOUPVSY-DNVCBOLYSA-N 1 3 345.487 2.611 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)C1 ZINC000261607591 474991987 /nfs/dbraw/zinc/99/19/87/474991987.db2.gz AVGZWUGNOUPVSY-DNVCBOLYSA-N 1 3 345.487 2.611 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CNCc2ccccc21 ZINC000325667401 474992806 /nfs/dbraw/zinc/99/28/06/474992806.db2.gz LLXPWEDVIYNHLY-IBGZPJMESA-N 1 3 331.504 2.700 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000337419172 474997052 /nfs/dbraw/zinc/99/70/52/474997052.db2.gz TVIXSSCBZRXUNK-UHFFFAOYSA-N 1 3 340.556 2.728 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N(C)C ZINC000268469010 474997805 /nfs/dbraw/zinc/99/78/05/474997805.db2.gz JCHQLLVRYWCASU-HXUWFJFHSA-N 1 3 343.515 2.622 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N(C)C ZINC000268469010 474997812 /nfs/dbraw/zinc/99/78/12/474997812.db2.gz JCHQLLVRYWCASU-HXUWFJFHSA-N 1 3 343.515 2.622 20 0 EFADHO COc1ccc([C@@H](NCCOCC[NH+](C)C)c2ccccc2)cc1 ZINC000326326442 475002277 /nfs/dbraw/zinc/00/22/77/475002277.db2.gz YWFZMKCSHPPCBJ-FQEVSTJZSA-N 1 3 328.456 2.952 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261638128 475005306 /nfs/dbraw/zinc/00/53/06/475005306.db2.gz ICGVSHWVKGSKKR-RKVPGOIHSA-N 1 3 349.906 2.981 20 0 EFADHO CC1CCN(CC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)CC1 ZINC000268483646 475005796 /nfs/dbraw/zinc/00/57/96/475005796.db2.gz BSBOXWHLLFHWNP-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261653123 475011596 /nfs/dbraw/zinc/01/15/96/475011596.db2.gz BOGZTPYRCGOEBJ-UHFFFAOYSA-N 1 3 341.455 2.710 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000341134872 475011858 /nfs/dbraw/zinc/01/18/58/475011858.db2.gz VCOIYWQVJIGERY-RYRKJORJSA-N 1 3 346.519 2.898 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261698135 475030319 /nfs/dbraw/zinc/03/03/19/475030319.db2.gz OLQJIWAEEGSESI-RKVPGOIHSA-N 1 3 349.906 2.981 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293561591 475040486 /nfs/dbraw/zinc/04/04/86/475040486.db2.gz CVTGDPPTZQXCBK-LJQANCHMSA-N 1 3 347.503 2.542 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261740263 475046491 /nfs/dbraw/zinc/04/64/91/475046491.db2.gz IHQZXOSUXTXXKK-XUVXKRRUSA-N 1 3 343.515 2.732 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CCCN(C)[C@H]2C)c(OCC[NH+](C)C)c1 ZINC000345274655 475051242 /nfs/dbraw/zinc/05/12/42/475051242.db2.gz FDNUYZUCADURNK-HOTGVXAUSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268888987 475054439 /nfs/dbraw/zinc/05/44/39/475054439.db2.gz ZLYLMXGIKFLEJC-INIZCTEOSA-N 1 3 342.487 2.678 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000261763878 475054654 /nfs/dbraw/zinc/05/46/54/475054654.db2.gz IFHUTRCAPMRJBA-MJGOQNOKSA-N 1 3 329.488 2.638 20 0 EFADHO C[NH2+]CCC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000261766632 475055603 /nfs/dbraw/zinc/05/56/03/475055603.db2.gz DKNJKFGNBMDWPB-UHFFFAOYSA-N 1 3 333.867 2.742 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000268930427 475078509 /nfs/dbraw/zinc/07/85/09/475078509.db2.gz ZJLYOGZWYWJOQL-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000268930429 475079116 /nfs/dbraw/zinc/07/91/16/475079116.db2.gz ZJLYOGZWYWJOQL-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1 ZINC000345318044 475090866 /nfs/dbraw/zinc/09/08/66/475090866.db2.gz LRYMVVFWFMCQAJ-LPHOPBHVSA-N 1 3 347.503 2.620 20 0 EFADHO O=C(N1CCC[N@H+](CC2CCCCC2)CC1)C12CCCN1CCC2 ZINC000339262850 475094473 /nfs/dbraw/zinc/09/44/73/475094473.db2.gz DLIHMZFRMKEPSR-UHFFFAOYSA-N 1 3 333.520 2.729 20 0 EFADHO O=C(N1CCC[N@@H+](CC2CCCCC2)CC1)C12CCCN1CCC2 ZINC000339262850 475094481 /nfs/dbraw/zinc/09/44/81/475094481.db2.gz DLIHMZFRMKEPSR-UHFFFAOYSA-N 1 3 333.520 2.729 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000341505966 475097709 /nfs/dbraw/zinc/09/77/09/475097709.db2.gz TVSULNRTPRWMDU-LSDHHAIUSA-N 1 3 329.479 2.959 20 0 EFADHO C[C@H]([NH2+]CCNc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000268972275 475103048 /nfs/dbraw/zinc/10/30/48/475103048.db2.gz IHJISWIIBSJBAI-INIZCTEOSA-N 1 3 328.460 2.785 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)[C@H]1c1ccccc1 ZINC000345337872 475107670 /nfs/dbraw/zinc/10/76/70/475107670.db2.gz REBINVNBQFQTLI-MTFMMBMASA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1c1ccccc1 ZINC000345337872 475107679 /nfs/dbraw/zinc/10/76/79/475107679.db2.gz REBINVNBQFQTLI-MTFMMBMASA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1c1ccccc1 ZINC000345337872 475107687 /nfs/dbraw/zinc/10/76/87/475107687.db2.gz REBINVNBQFQTLI-MTFMMBMASA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCC1 ZINC000281196958 475110852 /nfs/dbraw/zinc/11/08/52/475110852.db2.gz JXJJSUHPHZSZES-CJNGLKHVSA-N 1 3 330.394 2.683 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H](c1ccccc1)N(C)C ZINC000287365057 475116843 /nfs/dbraw/zinc/11/68/43/475116843.db2.gz QPGFHCOXRFMYIO-WZGPROSRSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H](c1ccccc1)N(C)C ZINC000287365057 475116849 /nfs/dbraw/zinc/11/68/49/475116849.db2.gz QPGFHCOXRFMYIO-WZGPROSRSA-N 1 3 344.503 2.604 20 0 EFADHO O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000261954189 475125663 /nfs/dbraw/zinc/12/56/63/475125663.db2.gz OLHRFZIONJBUBE-HOTGVXAUSA-N 1 3 328.378 2.813 20 0 EFADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000341540157 475126869 /nfs/dbraw/zinc/12/68/69/475126869.db2.gz ZBOZNTUCLKYLSA-SFHVURJKSA-N 1 3 347.528 2.904 20 0 EFADHO CC[NH2+]CC1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000261973487 475131821 /nfs/dbraw/zinc/13/18/21/475131821.db2.gz QMQQACCDVXGATG-UHFFFAOYSA-N 1 3 330.451 2.892 20 0 EFADHO CC(C)([NH3+])CN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000261973650 475132424 /nfs/dbraw/zinc/13/24/24/475132424.db2.gz QPEBMOXGPROYIV-UHFFFAOYSA-N 1 3 329.410 2.950 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(SC)cc1 ZINC000337575330 475142860 /nfs/dbraw/zinc/14/28/60/475142860.db2.gz HXNNZSJCHJVJGM-QGZVFWFLSA-N 1 3 349.544 2.897 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(SC)cc1 ZINC000337575330 475142867 /nfs/dbraw/zinc/14/28/67/475142867.db2.gz HXNNZSJCHJVJGM-QGZVFWFLSA-N 1 3 349.544 2.897 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000262021324 475146584 /nfs/dbraw/zinc/14/65/84/475146584.db2.gz ALYAGNBMBDLYEQ-WFASDCNBSA-N 1 3 345.409 2.799 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339345717 475151286 /nfs/dbraw/zinc/15/12/86/475151286.db2.gz IUWRWWFGGMVCJZ-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339345717 475151292 /nfs/dbraw/zinc/15/12/92/475151292.db2.gz IUWRWWFGGMVCJZ-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO Fc1ccccc1-c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000262103836 475173777 /nfs/dbraw/zinc/17/37/77/475173777.db2.gz JDVSYVRJTNHYNC-OAHLLOKOSA-N 1 3 329.419 2.565 20 0 EFADHO COC1CCN(C2(C[NH2+]C3CCN(C(C)C)CC3)CCCC2)CC1 ZINC000341596858 475175974 /nfs/dbraw/zinc/17/59/74/475175974.db2.gz RUJDJQUMBUGKSK-UHFFFAOYSA-N 1 3 337.552 2.872 20 0 EFADHO Fc1cc(-c2ccccc2)ccc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262117698 475176068 /nfs/dbraw/zinc/17/60/68/475176068.db2.gz LMVAKTUBAXZUOG-HXUWFJFHSA-N 1 3 339.458 2.972 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296057637 475182293 /nfs/dbraw/zinc/18/22/93/475182293.db2.gz RNZANQLLLNYZER-MRXNPFEDSA-N 1 3 336.911 2.730 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262160019 475188369 /nfs/dbraw/zinc/18/83/69/475188369.db2.gz GVEMRNXYMCTYHD-ICSRJNTNSA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NCCOc1cc(F)cc(Br)c1 ZINC000262196444 475195691 /nfs/dbraw/zinc/19/56/91/475195691.db2.gz ZLFQDVSXQLPOSY-CQSZACIVSA-N 1 3 333.245 2.930 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262228565 475203297 /nfs/dbraw/zinc/20/32/97/475203297.db2.gz NPCMRQGDMKQENZ-ATZDWAIDSA-N 1 3 347.478 2.857 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262228574 475203519 /nfs/dbraw/zinc/20/35/19/475203519.db2.gz NPCMRQGDMKQENZ-ZYSHUDEJSA-N 1 3 347.478 2.857 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262262502 475209265 /nfs/dbraw/zinc/20/92/65/475209265.db2.gz RHYMTWPOHVZQOW-PXNSSMCTSA-N 1 3 341.499 2.644 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[NH+]1CCCC1 ZINC000345486134 475216368 /nfs/dbraw/zinc/21/63/68/475216368.db2.gz WHYYTXHBXUEWLF-NXHRZFHOSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N2CCCC2)cc1 ZINC000262313150 475219346 /nfs/dbraw/zinc/21/93/46/475219346.db2.gz BSHYHABXYVWDSH-YTQUADARSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]1 ZINC000262343865 475222669 /nfs/dbraw/zinc/22/26/69/475222669.db2.gz GMJSWPBCZXYWOO-YTQUADARSA-N 1 3 329.488 2.545 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000354533422 475226554 /nfs/dbraw/zinc/22/65/54/475226554.db2.gz CWNQZYNZASKYHO-NVXWUHKLSA-N 1 3 346.475 2.529 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C ZINC000354533422 475226561 /nfs/dbraw/zinc/22/65/61/475226561.db2.gz CWNQZYNZASKYHO-NVXWUHKLSA-N 1 3 346.475 2.529 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]12 ZINC000262437634 475240880 /nfs/dbraw/zinc/24/08/80/475240880.db2.gz GMJQEGSTKOSHRW-SCDSUCTJSA-N 1 3 342.270 2.991 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262449078 475244200 /nfs/dbraw/zinc/24/42/00/475244200.db2.gz VSQVMCXCJZHWQW-QKNQBKEWSA-N 1 3 341.499 2.720 20 0 EFADHO CCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361174221 475244939 /nfs/dbraw/zinc/24/49/39/475244939.db2.gz VBHNCFRSKWIREW-SJLPKXTDSA-N 1 3 347.503 2.713 20 0 EFADHO C[C@@H](C[NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000262461298 475245572 /nfs/dbraw/zinc/24/55/72/475245572.db2.gz XEJUASZOOOYWGB-KRWDZBQOSA-N 1 3 329.488 2.629 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000339482957 475247630 /nfs/dbraw/zinc/24/76/30/475247630.db2.gz UGZMDPOOAGCARN-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cnc2ccsc2c1 ZINC000361184280 475251273 /nfs/dbraw/zinc/25/12/73/475251273.db2.gz NKASEXYQRFCLJK-ZIAGYGMSSA-N 1 3 346.500 2.534 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000296294629 475256781 /nfs/dbraw/zinc/25/67/81/475256781.db2.gz FTGJXJWTRYKUGM-HZPDHXFCSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000296294629 475256785 /nfs/dbraw/zinc/25/67/85/475256785.db2.gz FTGJXJWTRYKUGM-HZPDHXFCSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000296294636 475257633 /nfs/dbraw/zinc/25/76/33/475257633.db2.gz FTGJXJWTRYKUGM-JKSUJKDBSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000296294636 475257641 /nfs/dbraw/zinc/25/76/41/475257641.db2.gz FTGJXJWTRYKUGM-JKSUJKDBSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](c1cccnc1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000357917198 475259485 /nfs/dbraw/zinc/25/94/85/475259485.db2.gz KYLLPIOCHRSWMY-INIZCTEOSA-N 1 3 346.519 2.559 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000296305165 475261697 /nfs/dbraw/zinc/26/16/97/475261697.db2.gz GGVJVHNADPFZPB-JKSUJKDBSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000296305165 475261706 /nfs/dbraw/zinc/26/17/06/475261706.db2.gz GGVJVHNADPFZPB-JKSUJKDBSA-N 1 3 329.488 2.675 20 0 EFADHO CCN1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000339521201 475270979 /nfs/dbraw/zinc/27/09/79/475270979.db2.gz MADPGVIISILDKB-QGZVFWFLSA-N 1 3 326.529 2.526 20 0 EFADHO CCN1CCC(NC(=O)NC[C@H](CC(C)C)[NH+](CC)CC)CC1 ZINC000339521200 475271176 /nfs/dbraw/zinc/27/11/76/475271176.db2.gz MADPGVIISILDKB-KRWDZBQOSA-N 1 3 326.529 2.526 20 0 EFADHO CCN1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000339521114 475272209 /nfs/dbraw/zinc/27/22/09/475272209.db2.gz IYSDHESOARXCFY-GOSISDBHSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC)c1OC ZINC000631565351 480157417 /nfs/dbraw/zinc/15/74/17/480157417.db2.gz IFJSDJDEHLBYEK-GOSISDBHSA-N 1 3 349.519 2.771 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000361222378 475282314 /nfs/dbraw/zinc/28/23/14/475282314.db2.gz YYMAMJIXALLLOU-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO COC1CCN(C2(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CCCC2)CC1 ZINC000361229425 475287808 /nfs/dbraw/zinc/28/78/08/475287808.db2.gz AHWHTUZZWDQLBC-JENIJYKNSA-N 1 3 337.552 2.728 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc(OCCN(C)C)cc1 ZINC000361230923 475289298 /nfs/dbraw/zinc/28/92/98/475289298.db2.gz RCZVEYHNFNRYRA-QGZVFWFLSA-N 1 3 347.503 2.680 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1C ZINC000341777693 475294479 /nfs/dbraw/zinc/29/44/79/475294479.db2.gz ULPIHQSCSQEPAD-FQEVSTJZSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1cc(C)ccc1C ZINC000341777693 475294486 /nfs/dbraw/zinc/29/44/86/475294486.db2.gz ULPIHQSCSQEPAD-FQEVSTJZSA-N 1 3 345.531 2.720 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000296403085 475300180 /nfs/dbraw/zinc/30/01/80/475300180.db2.gz LPDAFTUPCKDDHX-IRXDYDNUSA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000296403085 475300186 /nfs/dbraw/zinc/30/01/86/475300186.db2.gz LPDAFTUPCKDDHX-IRXDYDNUSA-N 1 3 348.487 2.729 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000337762802 475302828 /nfs/dbraw/zinc/30/28/28/475302828.db2.gz AGWDOIRJGKGHMU-RBUKOAKNSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000337762802 475302833 /nfs/dbraw/zinc/30/28/33/475302833.db2.gz AGWDOIRJGKGHMU-RBUKOAKNSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000352447741 475305040 /nfs/dbraw/zinc/30/50/40/475305040.db2.gz OBFYPRVPERUGNX-UXHICEINSA-N 1 3 338.499 2.991 20 0 EFADHO Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000352447741 475305044 /nfs/dbraw/zinc/30/50/44/475305044.db2.gz OBFYPRVPERUGNX-UXHICEINSA-N 1 3 338.499 2.991 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000296451301 475321315 /nfs/dbraw/zinc/32/13/15/475321315.db2.gz OGOYPJQGCDXOLQ-IRXDYDNUSA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000296451301 475321326 /nfs/dbraw/zinc/32/13/26/475321326.db2.gz OGOYPJQGCDXOLQ-IRXDYDNUSA-N 1 3 348.487 2.586 20 0 EFADHO CCCN1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000341836496 475343524 /nfs/dbraw/zinc/34/35/24/475343524.db2.gz PBKNPGWSWRHJFJ-AWEZNQCLSA-N 1 3 339.505 2.583 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@@H]2C)C[C@H](C)O1 ZINC000358028441 475346123 /nfs/dbraw/zinc/34/61/23/475346123.db2.gz XPDPSSPPSHWHRF-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000358028441 475346127 /nfs/dbraw/zinc/34/61/27/475346127.db2.gz XPDPSSPPSHWHRF-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000358028441 475346137 /nfs/dbraw/zinc/34/61/37/475346137.db2.gz XPDPSSPPSHWHRF-LXGFNABISA-N 1 3 345.531 2.726 20 0 EFADHO COc1ccc(NC(=O)CC[N@H+](CCCN)CC2CCCC2)cc1 ZINC000352494407 475349513 /nfs/dbraw/zinc/34/95/13/475349513.db2.gz BGCZQJBUCLFHBU-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO COc1ccc(NC(=O)CC[N@@H+](CCCN)CC2CCCC2)cc1 ZINC000352494407 475349520 /nfs/dbraw/zinc/34/95/20/475349520.db2.gz BGCZQJBUCLFHBU-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO COc1ccc(NC(=O)CCN(CCC[NH3+])CC2CCCC2)cc1 ZINC000352494407 475349528 /nfs/dbraw/zinc/34/95/28/475349528.db2.gz BGCZQJBUCLFHBU-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)[C@@H](O)C(F)F ZINC000296518209 475353284 /nfs/dbraw/zinc/35/32/84/475353284.db2.gz PUNFOYBJSVCUIL-DISONHOPSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)C(F)F ZINC000296518209 475353291 /nfs/dbraw/zinc/35/32/91/475353291.db2.gz PUNFOYBJSVCUIL-DISONHOPSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)C(F)F ZINC000296518209 475353298 /nfs/dbraw/zinc/35/32/98/475353298.db2.gz PUNFOYBJSVCUIL-DISONHOPSA-N 1 3 338.442 2.891 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000361331810 475361325 /nfs/dbraw/zinc/36/13/25/475361325.db2.gz PMBUBVUHBJSVPU-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361331809 475361903 /nfs/dbraw/zinc/36/19/03/475361903.db2.gz PMBUBVUHBJSVPU-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345684809 475362928 /nfs/dbraw/zinc/36/29/28/475362928.db2.gz DJUVQLKZIRPKEY-DOMZBBRYSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345684809 475362937 /nfs/dbraw/zinc/36/29/37/475362937.db2.gz DJUVQLKZIRPKEY-DOMZBBRYSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000345684372 475363290 /nfs/dbraw/zinc/36/32/90/475363290.db2.gz REXVIVYMKQIKDW-HZPDHXFCSA-N 1 3 333.476 2.575 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000345684374 475364007 /nfs/dbraw/zinc/36/40/07/475364007.db2.gz REXVIVYMKQIKDW-IYBDPMFKSA-N 1 3 333.476 2.575 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000345692123 475369536 /nfs/dbraw/zinc/36/95/36/475369536.db2.gz MIUGXWZUIOFNMJ-XJKSGUPXSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000345692123 475369541 /nfs/dbraw/zinc/36/95/41/475369541.db2.gz MIUGXWZUIOFNMJ-XJKSGUPXSA-N 1 3 339.430 2.517 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361341796 475370196 /nfs/dbraw/zinc/37/01/96/475370196.db2.gz REFCVWKRUVUQAT-LJQANCHMSA-N 1 3 343.515 2.941 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065820 475372699 /nfs/dbraw/zinc/37/26/99/475372699.db2.gz SPNXETUOIUPVKA-WMLDXEAASA-N 1 3 327.428 2.962 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065820 475372707 /nfs/dbraw/zinc/37/27/07/475372707.db2.gz SPNXETUOIUPVKA-WMLDXEAASA-N 1 3 327.428 2.962 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065819 475372786 /nfs/dbraw/zinc/37/27/86/475372786.db2.gz SPNXETUOIUPVKA-RHSMWYFYSA-N 1 3 327.428 2.962 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000358065819 475372795 /nfs/dbraw/zinc/37/27/95/475372795.db2.gz SPNXETUOIUPVKA-RHSMWYFYSA-N 1 3 327.428 2.962 20 0 EFADHO NCC[C@@H]1CCCC[N@@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518409 475374242 /nfs/dbraw/zinc/37/42/42/475374242.db2.gz HVSQIHNNDJCPOQ-SFHVURJKSA-N 1 3 342.491 2.714 20 0 EFADHO NCC[C@@H]1CCCC[N@H+]1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518409 475374252 /nfs/dbraw/zinc/37/42/52/475374252.db2.gz HVSQIHNNDJCPOQ-SFHVURJKSA-N 1 3 342.491 2.714 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1CCCCCn1nnc(-c2ccccc2)n1 ZINC000352518409 475374258 /nfs/dbraw/zinc/37/42/58/475374258.db2.gz HVSQIHNNDJCPOQ-SFHVURJKSA-N 1 3 342.491 2.714 20 0 EFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1 ZINC000361346722 475374574 /nfs/dbraw/zinc/37/45/74/475374574.db2.gz QDMXCTHGPBRUNY-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO CN(C[C@H]1CCC[N@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882256 475380598 /nfs/dbraw/zinc/38/05/98/475380598.db2.gz KGPXBLZZTOOSJC-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO CN(C[C@H]1CCC[N@@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882256 475380606 /nfs/dbraw/zinc/38/06/06/475380606.db2.gz KGPXBLZZTOOSJC-SFTDATJTSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1C[C@H](NCCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000361352984 475380714 /nfs/dbraw/zinc/38/07/14/475380714.db2.gz GPPMLPIAKAIIMV-SJLPKXTDSA-N 1 3 331.504 2.934 20 0 EFADHO C[C@@H]1C[C@H](NCCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000361352984 475380722 /nfs/dbraw/zinc/38/07/22/475380722.db2.gz GPPMLPIAKAIIMV-SJLPKXTDSA-N 1 3 331.504 2.934 20 0 EFADHO COCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000361364858 475386854 /nfs/dbraw/zinc/38/68/54/475386854.db2.gz FZEGBMFYQWNYMB-QUCCMNQESA-N 1 3 333.520 2.597 20 0 EFADHO COCCCN(C)CC[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000361364856 475387911 /nfs/dbraw/zinc/38/79/11/475387911.db2.gz FZEGBMFYQWNYMB-ICSRJNTNSA-N 1 3 333.520 2.597 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352534984 475390202 /nfs/dbraw/zinc/39/02/02/475390202.db2.gz KVJPYDFUWRFPGU-QGZVFWFLSA-N 1 3 334.460 2.559 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000361367960 475391405 /nfs/dbraw/zinc/39/14/05/475391405.db2.gz FIQREJZBOQUAPG-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358100089 475398372 /nfs/dbraw/zinc/39/83/72/475398372.db2.gz XBKQGUGZFYKGOF-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358100089 475398378 /nfs/dbraw/zinc/39/83/78/475398378.db2.gz XBKQGUGZFYKGOF-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000354787331 475411360 /nfs/dbraw/zinc/41/13/60/475411360.db2.gz AXHUGYXBVUDUPI-UHOSZYNNSA-N 1 3 331.504 2.932 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000358126627 475421700 /nfs/dbraw/zinc/42/17/00/475421700.db2.gz BATXWORSCUNVGE-LMMKCTJWSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000358126627 475421709 /nfs/dbraw/zinc/42/17/09/475421709.db2.gz BATXWORSCUNVGE-LMMKCTJWSA-N 1 3 346.519 2.677 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358153592 475444328 /nfs/dbraw/zinc/44/43/28/475444328.db2.gz DIXIWQJQDNIMHU-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358153592 475444336 /nfs/dbraw/zinc/44/43/36/475444336.db2.gz DIXIWQJQDNIMHU-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO Cn1cc2c(n1)CCC[C@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000337944868 475451266 /nfs/dbraw/zinc/45/12/66/475451266.db2.gz PXKZSWCSBFCUBQ-GOSISDBHSA-N 1 3 328.460 2.528 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(N2CCOCC2)c1 ZINC000341963962 475455816 /nfs/dbraw/zinc/45/58/16/475455816.db2.gz JSUSSRHYOZVIGH-ZIFCJYIRSA-N 1 3 331.504 2.650 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000339748118 475466028 /nfs/dbraw/zinc/46/60/28/475466028.db2.gz NENOERREAFFESU-SCTDSRPQSA-N 1 3 338.540 2.528 20 0 EFADHO CCC(C)(C)NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354877550 475485058 /nfs/dbraw/zinc/48/50/58/475485058.db2.gz HZAJBHSBZBMILS-UHFFFAOYSA-N 1 3 332.492 2.535 20 0 EFADHO CCC[C@@H](C(=O)OCC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354881727 475487227 /nfs/dbraw/zinc/48/72/27/475487227.db2.gz VHFHOIQWMNTLKX-SFHVURJKSA-N 1 3 333.476 2.962 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000337993755 475489770 /nfs/dbraw/zinc/48/97/70/475489770.db2.gz SXHZUXDRJMTUKT-CABCVRRESA-N 1 3 326.431 2.722 20 0 EFADHO C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354888168 475492080 /nfs/dbraw/zinc/49/20/80/475492080.db2.gz DCKGIENSVULWON-QGZVFWFLSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354888168 475492089 /nfs/dbraw/zinc/49/20/89/475492089.db2.gz DCKGIENSVULWON-QGZVFWFLSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000361492825 475492454 /nfs/dbraw/zinc/49/24/54/475492454.db2.gz MLWVIFQORPKFKE-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000352653593 475495156 /nfs/dbraw/zinc/49/51/56/475495156.db2.gz VXXMIZXBIYEIES-FUHWJXTLSA-N 1 3 334.508 2.707 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000352653593 475495166 /nfs/dbraw/zinc/49/51/66/475495166.db2.gz VXXMIZXBIYEIES-FUHWJXTLSA-N 1 3 334.508 2.707 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000354896688 475500500 /nfs/dbraw/zinc/50/05/00/475500500.db2.gz JNDGWFNBDKIMAH-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000338013701 475506212 /nfs/dbraw/zinc/50/62/12/475506212.db2.gz GHMWTLKCIINJFN-VBSBHUPXSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000338013701 475506221 /nfs/dbraw/zinc/50/62/21/475506221.db2.gz GHMWTLKCIINJFN-VBSBHUPXSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)COC2 ZINC000361541336 475531295 /nfs/dbraw/zinc/53/12/95/475531295.db2.gz OHOJZLWGXOQGPC-CVEARBPZSA-N 1 3 330.472 2.868 20 0 EFADHO C[C@H](NC[C@]1(O)CC[N@H+](C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000358254474 475533159 /nfs/dbraw/zinc/53/31/59/475533159.db2.gz PSSKTSDTGPUCMC-MQIPJXDCSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000358254474 475533165 /nfs/dbraw/zinc/53/31/65/475533165.db2.gz PSSKTSDTGPUCMC-MQIPJXDCSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCC[C@@H]1C ZINC000358257182 475533673 /nfs/dbraw/zinc/53/36/73/475533673.db2.gz DLYNFTXKHZQDID-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263638 475540161 /nfs/dbraw/zinc/54/01/61/475540161.db2.gz XYSMFAKUWDLFGS-PMACEKPBSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263638 475540167 /nfs/dbraw/zinc/54/01/67/475540167.db2.gz XYSMFAKUWDLFGS-PMACEKPBSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938116 475542531 /nfs/dbraw/zinc/54/25/31/475542531.db2.gz NCVAPIDOJQIZBG-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938116 475542540 /nfs/dbraw/zinc/54/25/40/475542540.db2.gz NCVAPIDOJQIZBG-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000348271498 475547834 /nfs/dbraw/zinc/54/78/34/475547834.db2.gz NRFPPRPIZVBAIU-UHFFFAOYSA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1)C1CC1 ZINC000338052832 475548304 /nfs/dbraw/zinc/54/83/04/475548304.db2.gz IEBTZWPVDUOZTP-IBGZPJMESA-N 1 3 327.472 2.591 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1)C1CC1 ZINC000338052832 475548311 /nfs/dbraw/zinc/54/83/11/475548311.db2.gz IEBTZWPVDUOZTP-IBGZPJMESA-N 1 3 327.472 2.591 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000358274599 475550145 /nfs/dbraw/zinc/55/01/45/475550145.db2.gz LXKONOOCXPUZCS-GOSISDBHSA-N 1 3 346.519 2.711 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000348276214 475551616 /nfs/dbraw/zinc/55/16/16/475551616.db2.gz DDKFCSBUBCXPQT-OAHLLOKOSA-N 1 3 349.441 2.784 20 0 EFADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342095664 475554639 /nfs/dbraw/zinc/55/46/39/475554639.db2.gz YIINITJHULJIDK-ZNMIVQPWSA-N 1 3 333.501 2.796 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000338069229 475563550 /nfs/dbraw/zinc/56/35/50/475563550.db2.gz LUBBSEONPQCSNO-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000338069229 475563559 /nfs/dbraw/zinc/56/35/59/475563559.db2.gz LUBBSEONPQCSNO-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CCN(C)c1ccc(CN2CCC(OCC[NH+](CC)CC)CC2)cn1 ZINC000361576558 475563680 /nfs/dbraw/zinc/56/36/80/475563680.db2.gz HDYPQCRQCKYVEX-UHFFFAOYSA-N 1 3 348.535 2.861 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000346155369 475564697 /nfs/dbraw/zinc/56/46/97/475564697.db2.gz HAFHRPRWXKFSNA-SCTDSRPQSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000346155369 475564703 /nfs/dbraw/zinc/56/47/03/475564703.db2.gz HAFHRPRWXKFSNA-SCTDSRPQSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)CC1 ZINC000339859827 475567883 /nfs/dbraw/zinc/56/78/83/475567883.db2.gz KRKVUKILVYQKGN-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO CCCN1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000358295117 475567861 /nfs/dbraw/zinc/56/78/61/475567861.db2.gz OTDTUKYYQOWGGF-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342171088 475569575 /nfs/dbraw/zinc/56/95/75/475569575.db2.gz ZJCXEJTZCGLUEC-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342171088 475569584 /nfs/dbraw/zinc/56/95/84/475569584.db2.gz ZJCXEJTZCGLUEC-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000352730832 475572875 /nfs/dbraw/zinc/57/28/75/475572875.db2.gz GNABLUMZITVNBW-OAQYLSRUSA-N 1 3 339.483 2.891 20 0 EFADHO CCc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000352730832 475572882 /nfs/dbraw/zinc/57/28/82/475572882.db2.gz GNABLUMZITVNBW-OAQYLSRUSA-N 1 3 339.483 2.891 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC2)C1 ZINC000358307395 475578688 /nfs/dbraw/zinc/57/86/88/475578688.db2.gz QCHQHBBYXRBFKK-RSPOEFSDSA-N 1 3 336.520 2.957 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1F ZINC000358311982 475580752 /nfs/dbraw/zinc/58/07/52/475580752.db2.gz AYWYEIBUYHGLFJ-KKXDTOCCSA-N 1 3 336.451 2.863 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348317529 475586387 /nfs/dbraw/zinc/58/63/87/475586387.db2.gz WSMIVIJDEXRGAW-JBACZVJFSA-N 1 3 348.531 2.663 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(CO)c2ccccc2)[C@@H](C)C1 ZINC000348317529 475586394 /nfs/dbraw/zinc/58/63/94/475586394.db2.gz WSMIVIJDEXRGAW-JBACZVJFSA-N 1 3 348.531 2.663 20 0 EFADHO CC(C)(C)OC(=O)CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000348319416 475588082 /nfs/dbraw/zinc/58/80/82/475588082.db2.gz MIJOHETXXFFSFN-ROUUACIJSA-N 1 3 330.472 2.782 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000297047133 475589089 /nfs/dbraw/zinc/58/90/89/475589089.db2.gz VKSZMTPFMXEWNV-LJQANCHMSA-N 1 3 327.476 2.809 20 0 EFADHO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352763658 475598828 /nfs/dbraw/zinc/59/88/28/475598828.db2.gz QEXSTYBRWBJETM-FUHWJXTLSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352763658 475598840 /nfs/dbraw/zinc/59/88/40/475598840.db2.gz QEXSTYBRWBJETM-FUHWJXTLSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352763658 475598849 /nfs/dbraw/zinc/59/88/49/475598849.db2.gz QEXSTYBRWBJETM-FUHWJXTLSA-N 1 3 331.504 2.791 20 0 EFADHO Cc1cc(NC(=O)CC2(C[NH3+])CCCCC2)n(C2CCN(C)CC2)n1 ZINC000361621750 475604393 /nfs/dbraw/zinc/60/43/93/475604393.db2.gz NMRQTXPXNFMMRR-UHFFFAOYSA-N 1 3 347.507 2.696 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000352777567 475613029 /nfs/dbraw/zinc/61/30/29/475613029.db2.gz HINMJZAXEOMWOE-XYJFISCASA-N 1 3 334.508 2.707 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000352777567 475613036 /nfs/dbraw/zinc/61/30/36/475613036.db2.gz HINMJZAXEOMWOE-XYJFISCASA-N 1 3 334.508 2.707 20 0 EFADHO CCCN1CCC([NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000346503772 475616404 /nfs/dbraw/zinc/61/64/04/475616404.db2.gz WGWLVMBRACTVEB-HNNXBMFYSA-N 1 3 334.460 2.763 20 0 EFADHO CC[C@@H]1CN(CC[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000348359382 475616854 /nfs/dbraw/zinc/61/68/54/475616854.db2.gz SSMNTSTVJZTCRT-HLAWJBBLSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000348359382 475616858 /nfs/dbraw/zinc/61/68/58/475616858.db2.gz SSMNTSTVJZTCRT-HLAWJBBLSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000348359382 475616865 /nfs/dbraw/zinc/61/68/65/475616865.db2.gz SSMNTSTVJZTCRT-HLAWJBBLSA-N 1 3 345.531 2.597 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)nc1 ZINC000358367129 475623284 /nfs/dbraw/zinc/62/32/84/475623284.db2.gz KDIRLIOUFSIVBF-INIZCTEOSA-N 1 3 328.460 2.619 20 0 EFADHO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000342709447 475629137 /nfs/dbraw/zinc/62/91/37/475629137.db2.gz OKWOJBOSWUEUMY-CTNGQTDRSA-N 1 3 341.499 2.501 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297146320 475629658 /nfs/dbraw/zinc/62/96/58/475629658.db2.gz VFFVHRNVOBDVOS-GOOCMWNKSA-N 1 3 341.455 2.849 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297146320 475629662 /nfs/dbraw/zinc/62/96/62/475629662.db2.gz VFFVHRNVOBDVOS-GOOCMWNKSA-N 1 3 341.455 2.849 20 0 EFADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000348384829 475633001 /nfs/dbraw/zinc/63/30/01/475633001.db2.gz VRDLMFKCACTDMX-MJGOQNOKSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H](N[C@H](CO)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000358381042 475634696 /nfs/dbraw/zinc/63/46/96/475634696.db2.gz YNCSNFNWRCTJLK-JSGCOSHPSA-N 1 3 334.382 2.591 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000346548333 475648091 /nfs/dbraw/zinc/64/80/91/475648091.db2.gz AUTGBKOMINWLFZ-SJLPKXTDSA-N 1 3 344.503 2.869 20 0 EFADHO Brc1cnn(CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000355110107 475673246 /nfs/dbraw/zinc/67/32/46/475673246.db2.gz GCQQUIDYNNIMOH-HUUCEWRRSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000355110107 475673255 /nfs/dbraw/zinc/67/32/55/475673255.db2.gz GCQQUIDYNNIMOH-HUUCEWRRSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)c1 ZINC000355110107 475673261 /nfs/dbraw/zinc/67/32/61/475673261.db2.gz GCQQUIDYNNIMOH-HUUCEWRRSA-N 1 3 341.297 2.642 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000361714654 475691813 /nfs/dbraw/zinc/69/18/13/475691813.db2.gz SACLTNODKMQAGU-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO c1ccc(CN2CCN(CCNc3cc[nH+]c4ccccc34)CC2)cc1 ZINC000346619604 475704093 /nfs/dbraw/zinc/70/40/93/475704093.db2.gz MOTHSBDORVRJDI-UHFFFAOYSA-N 1 3 346.478 2.886 20 0 EFADHO CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000346619973 475705939 /nfs/dbraw/zinc/70/59/39/475705939.db2.gz JVUFFKBJSNVPPU-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CCOc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000346619973 475705945 /nfs/dbraw/zinc/70/59/45/475705945.db2.gz JVUFFKBJSNVPPU-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358493532 475723002 /nfs/dbraw/zinc/72/30/02/475723002.db2.gz DKQVTRIMDIMZQO-UHFFFAOYSA-N 1 3 329.488 2.648 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361756778 475725316 /nfs/dbraw/zinc/72/53/16/475725316.db2.gz WBDSQNKAAWBAPG-ZQIUZPCESA-N 1 3 339.505 2.582 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361756778 475725323 /nfs/dbraw/zinc/72/53/23/475725323.db2.gz WBDSQNKAAWBAPG-ZQIUZPCESA-N 1 3 339.505 2.582 20 0 EFADHO CCOc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OCC ZINC000346646220 475730754 /nfs/dbraw/zinc/73/07/54/475730754.db2.gz AESIHZXRDQALFQ-UHFFFAOYSA-N 1 3 336.476 2.814 20 0 EFADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1Cl ZINC000358505482 475732285 /nfs/dbraw/zinc/73/22/85/475732285.db2.gz IMWPQKKCMALELF-CQSZACIVSA-N 1 3 335.879 2.593 20 0 EFADHO CCC[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358507753 475734360 /nfs/dbraw/zinc/73/43/60/475734360.db2.gz LFTNZDOQGCCHMS-GOSISDBHSA-N 1 3 329.488 2.720 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508138 475734616 /nfs/dbraw/zinc/73/46/16/475734616.db2.gz OKMRSFCKNWGLQA-IRXDYDNUSA-N 1 3 343.515 2.890 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508135 475735192 /nfs/dbraw/zinc/73/51/92/475735192.db2.gz OKMRSFCKNWGLQA-DLBZAZTESA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358509464 475735657 /nfs/dbraw/zinc/73/56/57/475735657.db2.gz QBMXLACWTOWUOW-IRXDYDNUSA-N 1 3 329.488 2.636 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccccc1 ZINC000338277736 475739336 /nfs/dbraw/zinc/73/93/36/475739336.db2.gz RJFFURSRKBHULD-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO COc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)co2)cc1 ZINC000358517166 475740462 /nfs/dbraw/zinc/74/04/62/475740462.db2.gz PIVBEMHYXMJGTL-UHFFFAOYSA-N 1 3 327.428 2.926 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338279494 475741102 /nfs/dbraw/zinc/74/11/02/475741102.db2.gz ILSYAQJSJPMJJP-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000338279494 475741112 /nfs/dbraw/zinc/74/11/12/475741112.db2.gz ILSYAQJSJPMJJP-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO c1cc(N2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)ccn1 ZINC000297407543 475743739 /nfs/dbraw/zinc/74/37/39/475743739.db2.gz LAZAKKWCZXCDEN-UHFFFAOYSA-N 1 3 337.471 2.835 20 0 EFADHO Cc1[nH]nc2ncc(C[NH2+]C[C@@H]3CCN(Cc4ccccc4)C3)cc12 ZINC000355217724 475754536 /nfs/dbraw/zinc/75/45/36/475754536.db2.gz KIAPVXRDAGPIKF-KRWDZBQOSA-N 1 3 335.455 2.878 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000355219093 475756100 /nfs/dbraw/zinc/75/61/00/475756100.db2.gz MATHUSBKQNXTBV-MRXNPFEDSA-N 1 3 330.501 2.821 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000338297118 475757974 /nfs/dbraw/zinc/75/79/74/475757974.db2.gz RIYZKLNZWBCKQV-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000338297118 475757981 /nfs/dbraw/zinc/75/79/81/475757981.db2.gz RIYZKLNZWBCKQV-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000338303694 475764492 /nfs/dbraw/zinc/76/44/92/475764492.db2.gz WQAONLYJYFCCJA-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000338303694 475764499 /nfs/dbraw/zinc/76/44/99/475764499.db2.gz WQAONLYJYFCCJA-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CCCN(C)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000358553782 475767229 /nfs/dbraw/zinc/76/72/29/475767229.db2.gz GQOFMKRSIJNRCB-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000346694544 475770157 /nfs/dbraw/zinc/77/01/57/475770157.db2.gz UUHHFBDVFSFKQX-LJQANCHMSA-N 1 3 332.536 2.634 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000353226965 475785464 /nfs/dbraw/zinc/78/54/64/475785464.db2.gz HPSUPLUIRAPMGT-PMACEKPBSA-N 1 3 341.499 2.655 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000358583744 475786596 /nfs/dbraw/zinc/78/65/96/475786596.db2.gz CUHXFIAWMJIRPG-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1)C(C)C ZINC000348637519 475792484 /nfs/dbraw/zinc/79/24/84/475792484.db2.gz SRZDJKFTZUHHQA-GOSISDBHSA-N 1 3 348.535 2.925 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000343136490 475799446 /nfs/dbraw/zinc/79/94/46/475799446.db2.gz ZPKLZARGNNTYJH-QKNQBKEWSA-N 1 3 345.531 2.770 20 0 EFADHO C[C@H](CCNC(=O)N(C)CCN(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000353271565 475821488 /nfs/dbraw/zinc/82/14/88/475821488.db2.gz MTUPJEMZSSNTBD-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N(C)CCN(C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000353271565 475821497 /nfs/dbraw/zinc/82/14/97/475821497.db2.gz MTUPJEMZSSNTBD-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H]([NH3+])CC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000340183558 475835273 /nfs/dbraw/zinc/83/52/73/475835273.db2.gz MXTOAVYAWOCLAT-GOSISDBHSA-N 1 3 339.483 2.932 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340185407 475837083 /nfs/dbraw/zinc/83/70/83/475837083.db2.gz KCCNDSHQSUSSRG-QGZVFWFLSA-N 1 3 333.520 2.727 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4ncccc4c3)CC2)C1 ZINC000333106199 475839739 /nfs/dbraw/zinc/83/97/39/475839739.db2.gz FRSPQHRROFJSCJ-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000353295806 475845992 /nfs/dbraw/zinc/84/59/92/475845992.db2.gz OIDFRITXKWBWEZ-IAGOWNOFSA-N 1 3 346.519 2.899 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000338393904 475859628 /nfs/dbraw/zinc/85/96/28/475859628.db2.gz BDZQPGFZMLIQMC-MAUKXSAKSA-N 1 3 329.488 2.883 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000338393902 475859965 /nfs/dbraw/zinc/85/99/65/475859965.db2.gz BDZQPGFZMLIQMC-CRAIPNDOSA-N 1 3 329.488 2.883 20 0 EFADHO COCCCN1CCC([NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340222842 475865861 /nfs/dbraw/zinc/86/58/61/475865861.db2.gz YPNQUAHPLTYULZ-LEWJYISDSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781424 475865937 /nfs/dbraw/zinc/86/59/37/475865937.db2.gz LVYKQXUONBRHHP-MOPGFXCFSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781424 475865941 /nfs/dbraw/zinc/86/59/41/475865941.db2.gz LVYKQXUONBRHHP-MOPGFXCFSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[NH2+]1 ZINC000358701910 475869863 /nfs/dbraw/zinc/86/98/63/475869863.db2.gz ZEJPBPVPSFZGJT-ANQUJSFKSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCCN1C ZINC000346805552 475874632 /nfs/dbraw/zinc/87/46/32/475874632.db2.gz PWWFFKYWKBBPHZ-QNDFHXLGSA-N 1 3 327.516 2.969 20 0 EFADHO N[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)c2ccccc21 ZINC000333243624 475881870 /nfs/dbraw/zinc/88/18/70/475881870.db2.gz FIHZBDBNEVOKDP-MOPGFXCFSA-N 1 3 329.488 2.756 20 0 EFADHO Cc1cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000346819350 475885028 /nfs/dbraw/zinc/88/50/28/475885028.db2.gz BGOCCLBSSBUQQN-AEFFLSMTSA-N 1 3 349.906 2.729 20 0 EFADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000333295328 475897615 /nfs/dbraw/zinc/89/76/15/475897615.db2.gz PFVJBWNYGNXVNF-QBPKDAKJSA-N 1 3 331.508 2.617 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N(C)Cc1ccccc1 ZINC000343268668 475906445 /nfs/dbraw/zinc/90/64/45/475906445.db2.gz MCSMSXGQVRQXFD-PMXSJFBMSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000355407001 475908688 /nfs/dbraw/zinc/90/86/88/475908688.db2.gz CZKODMXWRGSYOX-NSHGMRRFSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000355407001 475908692 /nfs/dbraw/zinc/90/86/92/475908692.db2.gz CZKODMXWRGSYOX-NSHGMRRFSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000355408915 475910933 /nfs/dbraw/zinc/91/09/33/475910933.db2.gz KZECJXIYGZYXQK-ZIFCJYIRSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000355408914 475911899 /nfs/dbraw/zinc/91/18/99/475911899.db2.gz KZECJXIYGZYXQK-ZHALLVOQSA-N 1 3 329.488 2.813 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000355410638 475912786 /nfs/dbraw/zinc/91/27/86/475912786.db2.gz HXVQTIDNZBBMLM-POAQFYNOSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000340281688 475913303 /nfs/dbraw/zinc/91/33/03/475913303.db2.gz WZHFCIWFDRPLFL-SOLBZPMBSA-N 1 3 326.525 2.605 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355412750 475914131 /nfs/dbraw/zinc/91/41/31/475914131.db2.gz FAZIYPWQCPITPH-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355412750 475914146 /nfs/dbraw/zinc/91/41/46/475914146.db2.gz FAZIYPWQCPITPH-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000355412748 475914865 /nfs/dbraw/zinc/91/48/65/475914865.db2.gz FAZIYPWQCPITPH-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000355412748 475914872 /nfs/dbraw/zinc/91/48/72/475914872.db2.gz FAZIYPWQCPITPH-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338460010 475926251 /nfs/dbraw/zinc/92/62/51/475926251.db2.gz CCYOQPOOFJRVOX-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000338460010 475926255 /nfs/dbraw/zinc/92/62/55/475926255.db2.gz CCYOQPOOFJRVOX-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000355433885 475934508 /nfs/dbraw/zinc/93/45/08/475934508.db2.gz MUZRQQOPBCXSRS-IBGZPJMESA-N 1 3 346.519 2.923 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410405 475946165 /nfs/dbraw/zinc/94/61/65/475946165.db2.gz XGPUAQICBRHZNO-WOZUAGRISA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410405 475946170 /nfs/dbraw/zinc/94/61/70/475946170.db2.gz XGPUAQICBRHZNO-WOZUAGRISA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410405 475946183 /nfs/dbraw/zinc/94/61/83/475946183.db2.gz XGPUAQICBRHZNO-WOZUAGRISA-N 1 3 344.499 2.682 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1F ZINC000343320096 475948366 /nfs/dbraw/zinc/94/83/66/475948366.db2.gz PJRQZXLDAGVMPV-SJORKVTESA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1F ZINC000343320096 475948372 /nfs/dbraw/zinc/94/83/72/475948372.db2.gz PJRQZXLDAGVMPV-SJORKVTESA-N 1 3 349.494 2.804 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000338487796 475950914 /nfs/dbraw/zinc/95/09/14/475950914.db2.gz XOFIEPCJSSTILN-AEFFLSMTSA-N 1 3 334.508 2.627 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000298044641 475963139 /nfs/dbraw/zinc/96/31/39/475963139.db2.gz NQNWKIVQZDPACF-ZWKOTPCHSA-N 1 3 343.515 2.888 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000353435640 475963850 /nfs/dbraw/zinc/96/38/50/475963850.db2.gz WUZRFJUZSHJGIO-RCCFBDPRSA-N 1 3 349.544 2.883 20 0 EFADHO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353437915 475966235 /nfs/dbraw/zinc/96/62/35/475966235.db2.gz SFPMMSTZNCZHQY-CQSZACIVSA-N 1 3 339.439 2.930 20 0 EFADHO C[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353444926 475973487 /nfs/dbraw/zinc/97/34/87/475973487.db2.gz HGFLYWZPLCCLNJ-AABGKKOBSA-N 1 3 338.499 2.936 20 0 EFADHO C[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353444926 475973496 /nfs/dbraw/zinc/97/34/96/475973496.db2.gz HGFLYWZPLCCLNJ-AABGKKOBSA-N 1 3 338.499 2.936 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355485607 475977499 /nfs/dbraw/zinc/97/74/99/475977499.db2.gz ZASNAGWZARDXLW-KRWDZBQOSA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355485607 475977504 /nfs/dbraw/zinc/97/75/04/475977504.db2.gz ZASNAGWZARDXLW-KRWDZBQOSA-N 1 3 346.519 2.762 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000353456985 475985023 /nfs/dbraw/zinc/98/50/23/475985023.db2.gz XQLGGUJENFIQRA-HNNXBMFYSA-N 1 3 339.474 2.902 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CCCO1 ZINC000340371161 475987616 /nfs/dbraw/zinc/98/76/16/475987616.db2.gz PUXZCOQHCPUBIA-NRSPTQNISA-N 1 3 345.531 2.912 20 0 EFADHO [NH3+]Cc1cn([C@@H]2CCCN([C@@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000333649286 475990440 /nfs/dbraw/zinc/99/04/40/475990440.db2.gz JODIMWWXGSZXQS-CXAGYDPISA-N 1 3 331.851 2.715 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000358858668 475993564 /nfs/dbraw/zinc/99/35/64/475993564.db2.gz PAYZZXPZHYIKSO-IBGZPJMESA-N 1 3 343.446 2.636 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccc(F)cc2)c1 ZINC000358858668 475993575 /nfs/dbraw/zinc/99/35/75/475993575.db2.gz PAYZZXPZHYIKSO-IBGZPJMESA-N 1 3 343.446 2.636 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000353469987 475995952 /nfs/dbraw/zinc/99/59/52/475995952.db2.gz HUXHTNPRCATPPI-CTNGQTDRSA-N 1 3 343.515 2.575 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000353469989 475996431 /nfs/dbraw/zinc/99/64/31/475996431.db2.gz HUXHTNPRCATPPI-PZJWPPBQSA-N 1 3 343.515 2.575 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358866706 475999363 /nfs/dbraw/zinc/99/93/63/475999363.db2.gz RSNCJZPVJIDSLA-IBGZPJMESA-N 1 3 349.494 2.742 20 0 EFADHO CCN1CCO[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccccc1 ZINC000298179057 476009053 /nfs/dbraw/zinc/00/90/53/476009053.db2.gz VGDMDPOADLZTEO-SFTDATJTSA-N 1 3 343.515 2.665 20 0 EFADHO COC(=O)C(C)(C)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000338563367 476011009 /nfs/dbraw/zinc/01/10/09/476011009.db2.gz KYPTYRCOYIKURV-UHFFFAOYSA-N 1 3 333.476 2.819 20 0 EFADHO COC(=O)C(C)(C)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000338563367 476011010 /nfs/dbraw/zinc/01/10/10/476011010.db2.gz KYPTYRCOYIKURV-UHFFFAOYSA-N 1 3 333.476 2.819 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cn2)cc1 ZINC000347001282 476022788 /nfs/dbraw/zinc/02/27/88/476022788.db2.gz HFKOGGPPXLDXNU-LJQANCHMSA-N 1 3 328.435 2.975 20 0 EFADHO CCCN(Cc1ccc(OCc2nccn2C)cc1)C1CC[NH2+]CC1 ZINC000347004439 476024187 /nfs/dbraw/zinc/02/41/87/476024187.db2.gz NVUUMBNNFXNFDV-UHFFFAOYSA-N 1 3 342.487 2.963 20 0 EFADHO CCC[N@H+](Cc1ccc(OCc2nccn2C)cc1)C1CCNCC1 ZINC000347004439 476024192 /nfs/dbraw/zinc/02/41/92/476024192.db2.gz NVUUMBNNFXNFDV-UHFFFAOYSA-N 1 3 342.487 2.963 20 0 EFADHO CCC[N@@H+](Cc1ccc(OCc2nccn2C)cc1)C1CCNCC1 ZINC000347004439 476024195 /nfs/dbraw/zinc/02/41/95/476024195.db2.gz NVUUMBNNFXNFDV-UHFFFAOYSA-N 1 3 342.487 2.963 20 0 EFADHO CC[NH2+]CC1CCN(Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000347008988 476028975 /nfs/dbraw/zinc/02/89/75/476028975.db2.gz FDXVHPOXBIWKLN-UHFFFAOYSA-N 1 3 336.476 2.542 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(F)ccc([O-])c1F ZINC000353506689 476030446 /nfs/dbraw/zinc/03/04/46/476030446.db2.gz YYSNTEYEVHESSD-CQSZACIVSA-N 1 3 341.446 2.518 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(F)ccc([O-])c1F ZINC000353506689 476030454 /nfs/dbraw/zinc/03/04/54/476030454.db2.gz YYSNTEYEVHESSD-CQSZACIVSA-N 1 3 341.446 2.518 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)N(C)C)cc1 ZINC000353508496 476031166 /nfs/dbraw/zinc/03/11/66/476031166.db2.gz GDJJHEUTDIYDIK-QYZOEREBSA-N 1 3 331.504 2.602 20 0 EFADHO C[C@H]1CN(c2ccccc2C[NH2+]C2CCN(CC3CC3)CC2)CCO1 ZINC000298252869 476035017 /nfs/dbraw/zinc/03/50/17/476035017.db2.gz DQCLBDHGDFGPIU-KRWDZBQOSA-N 1 3 343.515 2.876 20 0 EFADHO Cc1nc(COc2ccc(CN3CCC([C@H](C)[NH3+])CC3)cc2)no1 ZINC000347030522 476047594 /nfs/dbraw/zinc/04/75/94/476047594.db2.gz XJHGNMJZYAJYDH-ZDUSSCGKSA-N 1 3 330.432 2.516 20 0 EFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4CCC[NH2+]4)CC3)cnc21 ZINC000347032732 476049562 /nfs/dbraw/zinc/04/95/62/476049562.db2.gz BIADBCFHUIGGRD-GOSISDBHSA-N 1 3 327.476 2.976 20 0 EFADHO CC(C)n1ncc2cc(CN3CCC([C@@H]4CCC[NH2+]4)CC3)cnc21 ZINC000347032743 476049601 /nfs/dbraw/zinc/04/96/01/476049601.db2.gz BIADBCFHUIGGRD-SFHVURJKSA-N 1 3 327.476 2.976 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cncc(F)c1 ZINC000347034993 476051267 /nfs/dbraw/zinc/05/12/67/476051267.db2.gz PSXJKUOXFCZWSB-UHFFFAOYSA-N 1 3 348.510 2.849 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)[C@H]1SC ZINC000298366551 476068667 /nfs/dbraw/zinc/06/86/67/476068667.db2.gz KKGAOFIOMKNDKZ-KZNAEPCWSA-N 1 3 338.517 2.626 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000298366547 476069456 /nfs/dbraw/zinc/06/94/56/476069456.db2.gz KKGAOFIOMKNDKZ-KURKYZTESA-N 1 3 338.517 2.626 20 0 EFADHO Cc1nc(COc2ccc(CN3CCC(C[NH+](C)C)CC3)cc2)no1 ZINC000350150793 476070273 /nfs/dbraw/zinc/07/02/73/476070273.db2.gz WNDBVAYBPHGAHU-UHFFFAOYSA-N 1 3 344.459 2.731 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000347075478 476079782 /nfs/dbraw/zinc/07/97/82/476079782.db2.gz UJYLMAUXYXSOMC-HNAYVOBHSA-N 1 3 346.471 2.591 20 0 EFADHO C[C@@H]([NH3+])C1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000347093394 476090334 /nfs/dbraw/zinc/09/03/34/476090334.db2.gz GXNHQBKNHQKRNT-OAHLLOKOSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000356223028 476091252 /nfs/dbraw/zinc/09/12/52/476091252.db2.gz MGAUGNHLLKNSEX-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO c1cc2c(s1)CCN(CC[NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000298475354 476105689 /nfs/dbraw/zinc/10/56/89/476105689.db2.gz PCGUAQMUEUDJIQ-UHFFFAOYSA-N 1 3 342.512 2.760 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000343730908 476106682 /nfs/dbraw/zinc/10/66/82/476106682.db2.gz FIDACHXSWKZWOI-APWZRJJASA-N 1 3 344.503 2.516 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cc(Br)cs1 ZINC000350261931 476110708 /nfs/dbraw/zinc/11/07/08/476110708.db2.gz GOGKTYDIROJYDQ-UHFFFAOYSA-N 1 3 335.311 2.959 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000359010410 476112084 /nfs/dbraw/zinc/11/20/84/476112084.db2.gz OGJUPNDJBFVYLB-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1nn(C)cc1CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000350267101 476115033 /nfs/dbraw/zinc/11/50/33/476115033.db2.gz NVQWVZCSJLZJSP-UHFFFAOYSA-N 1 3 327.476 2.862 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343841296 476122829 /nfs/dbraw/zinc/12/28/29/476122829.db2.gz RJZAURUZWKFTPF-BBWFWOEESA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343841296 476122837 /nfs/dbraw/zinc/12/28/37/476122837.db2.gz RJZAURUZWKFTPF-BBWFWOEESA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841299 476122902 /nfs/dbraw/zinc/12/29/02/476122902.db2.gz RJZAURUZWKFTPF-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343841299 476122908 /nfs/dbraw/zinc/12/29/08/476122908.db2.gz RJZAURUZWKFTPF-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336788944 476130637 /nfs/dbraw/zinc/13/06/37/476130637.db2.gz HYDKJEBANGRXPF-RTWAWAEBSA-N 1 3 338.499 2.954 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000336788944 476130645 /nfs/dbraw/zinc/13/06/45/476130645.db2.gz HYDKJEBANGRXPF-RTWAWAEBSA-N 1 3 338.499 2.954 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336796900 476131858 /nfs/dbraw/zinc/13/18/58/476131858.db2.gz WYHAMHSFCJERQA-MTFMMBMASA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336796900 476131862 /nfs/dbraw/zinc/13/18/62/476131862.db2.gz WYHAMHSFCJERQA-MTFMMBMASA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000336793582 476132756 /nfs/dbraw/zinc/13/27/56/476132756.db2.gz XJDFFZCDEAOPTN-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCCCC1 ZINC000336795952 476133169 /nfs/dbraw/zinc/13/31/69/476133169.db2.gz OLDGBPLZRHLALS-CMKODMSKSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000353634048 476140760 /nfs/dbraw/zinc/14/07/60/476140760.db2.gz XZKHOLWCBSYXGA-MOPGFXCFSA-N 1 3 331.504 2.934 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCc2ccncc2)CC1 ZINC000350354671 476151728 /nfs/dbraw/zinc/15/17/28/476151728.db2.gz MLEQVLMUCZCDIF-UHFFFAOYSA-N 1 3 338.499 2.898 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCc2ccncc2)CC1 ZINC000350354671 476151736 /nfs/dbraw/zinc/15/17/36/476151736.db2.gz MLEQVLMUCZCDIF-UHFFFAOYSA-N 1 3 338.499 2.898 20 0 EFADHO C[C@@H](CCCC(F)(F)F)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353668440 476172491 /nfs/dbraw/zinc/17/24/91/476172491.db2.gz GCESHLWFWSBWTJ-AWEZNQCLSA-N 1 3 337.430 2.689 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000347258032 476210059 /nfs/dbraw/zinc/21/00/59/476210059.db2.gz MZZDDDDYLQAUEF-KXBFYZLASA-N 1 3 343.519 2.507 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000344278481 476212318 /nfs/dbraw/zinc/21/23/18/476212318.db2.gz UQNCXLJTCJVFEX-BMFAXAFESA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000344278481 476212324 /nfs/dbraw/zinc/21/23/24/476212324.db2.gz UQNCXLJTCJVFEX-BMFAXAFESA-N 1 3 329.488 2.811 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCC[C@@H](C)C1)CC(C)C ZINC000302932706 476212741 /nfs/dbraw/zinc/21/27/41/476212741.db2.gz HJCLMAUFMUXMLG-QZTJIDSGSA-N 1 3 340.556 2.774 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCC[C@H](C)C1)CC(C)C ZINC000302932707 476213097 /nfs/dbraw/zinc/21/30/97/476213097.db2.gz HJCLMAUFMUXMLG-ROUUACIJSA-N 1 3 340.556 2.774 20 0 EFADHO O=C1[C@@H](N2CCC([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000357079411 476213577 /nfs/dbraw/zinc/21/35/77/476213577.db2.gz SIEDTSMGZWCFEL-HKUYNNGSSA-N 1 3 327.472 2.504 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357081570 476214756 /nfs/dbraw/zinc/21/47/56/476214756.db2.gz NNIPHNRNRWGABR-SCTDSRPQSA-N 1 3 343.515 2.882 20 0 EFADHO CC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000302953924 476214841 /nfs/dbraw/zinc/21/48/41/476214841.db2.gz DQJBQHBLJNEDLU-IBGZPJMESA-N 1 3 346.519 2.711 20 0 EFADHO CC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000302953924 476214846 /nfs/dbraw/zinc/21/48/46/476214846.db2.gz DQJBQHBLJNEDLU-IBGZPJMESA-N 1 3 346.519 2.711 20 0 EFADHO CCCc1ccc([C@@H](C)N(CCC2CC[NH2+]CC2)CC(N)=O)cc1 ZINC000359227450 476215808 /nfs/dbraw/zinc/21/58/08/476215808.db2.gz WIYYSDWCCCDMHS-MRXNPFEDSA-N 1 3 331.504 2.877 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000353725660 476220270 /nfs/dbraw/zinc/22/02/70/476220270.db2.gz QNISBCUQBKPLEN-ZHALLVOQSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000353725660 476220278 /nfs/dbraw/zinc/22/02/78/476220278.db2.gz QNISBCUQBKPLEN-ZHALLVOQSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000347270991 476220357 /nfs/dbraw/zinc/22/03/57/476220357.db2.gz PGCGQJSKRYWIAH-MAUKXSAKSA-N 1 3 345.512 2.688 20 0 EFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347277434 476223751 /nfs/dbraw/zinc/22/37/51/476223751.db2.gz SYTXSBJOPAXGFE-XLIONFOSSA-N 1 3 339.483 2.626 20 0 EFADHO C[C@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCN1C ZINC000344296110 476226084 /nfs/dbraw/zinc/22/60/84/476226084.db2.gz QKUDVRVJNZPRLB-MAUKXSAKSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccncc3)CC2)C[C@H](C)O1 ZINC000347292827 476235499 /nfs/dbraw/zinc/23/54/99/476235499.db2.gz CWCSRDXOCBKSIU-HDICACEKSA-N 1 3 331.504 2.835 20 0 EFADHO COc1ccc2nc(CNCCCC[N@@H+]3CCC[C@@H]3CO)sc2c1 ZINC000353743261 476235888 /nfs/dbraw/zinc/23/58/88/476235888.db2.gz XWHMOEYKCKYPCO-CQSZACIVSA-N 1 3 349.500 2.631 20 0 EFADHO COc1ccc2nc(CNCCCC[N@H+]3CCC[C@@H]3CO)sc2c1 ZINC000353743261 476235892 /nfs/dbraw/zinc/23/58/92/476235892.db2.gz XWHMOEYKCKYPCO-CQSZACIVSA-N 1 3 349.500 2.631 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303449183 476237480 /nfs/dbraw/zinc/23/74/80/476237480.db2.gz HXKFCZNIHBFLSA-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303449183 476237487 /nfs/dbraw/zinc/23/74/87/476237487.db2.gz HXKFCZNIHBFLSA-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000359468878 476237494 /nfs/dbraw/zinc/23/74/94/476237494.db2.gz QGIWOOSIGYCTKK-SOLBZPMBSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000359468878 476237497 /nfs/dbraw/zinc/23/74/97/476237497.db2.gz QGIWOOSIGYCTKK-SOLBZPMBSA-N 1 3 334.508 2.706 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000353748331 476243481 /nfs/dbraw/zinc/24/34/81/476243481.db2.gz HXGUQUMAQANWBQ-JZXOWHBKSA-N 1 3 348.487 2.932 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000353748331 476243487 /nfs/dbraw/zinc/24/34/87/476243487.db2.gz HXGUQUMAQANWBQ-JZXOWHBKSA-N 1 3 348.487 2.932 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344315723 476243867 /nfs/dbraw/zinc/24/38/67/476243867.db2.gz MRVJDVUHWXKDKS-CALCHBBNSA-N 1 3 344.503 2.558 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344315723 476243876 /nfs/dbraw/zinc/24/38/76/476243876.db2.gz MRVJDVUHWXKDKS-CALCHBBNSA-N 1 3 344.503 2.558 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000362433174 476243872 /nfs/dbraw/zinc/24/38/72/476243872.db2.gz DLAFQAUJWOKTRF-KDURUIRLSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000362433174 476243880 /nfs/dbraw/zinc/24/38/80/476243880.db2.gz DLAFQAUJWOKTRF-KDURUIRLSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000350561428 476246181 /nfs/dbraw/zinc/24/61/81/476246181.db2.gz WXAWLQLZAXXKGV-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353757301 476251106 /nfs/dbraw/zinc/25/11/06/476251106.db2.gz ZSRGZPDCRPORPL-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353757301 476251115 /nfs/dbraw/zinc/25/11/15/476251115.db2.gz ZSRGZPDCRPORPL-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000362504407 476287332 /nfs/dbraw/zinc/28/73/32/476287332.db2.gz HTGUILMUAABJTA-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1)C1CC1 ZINC000362512184 476291332 /nfs/dbraw/zinc/29/13/32/476291332.db2.gz JOWPPVJQLOLEEJ-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2CN(C)C)cc1)C1CC1 ZINC000362512184 476291336 /nfs/dbraw/zinc/29/13/36/476291336.db2.gz JOWPPVJQLOLEEJ-LJQANCHMSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@@H](NCCn1cnnc1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357227360 476297299 /nfs/dbraw/zinc/29/72/99/476297299.db2.gz FBEHOJSXHNFDNF-APWZRJJASA-N 1 3 339.487 2.656 20 0 EFADHO C[C@@H](NCCn1cnnc1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357227360 476297304 /nfs/dbraw/zinc/29/73/04/476297304.db2.gz FBEHOJSXHNFDNF-APWZRJJASA-N 1 3 339.487 2.656 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1)N(C)C ZINC000357281931 476315063 /nfs/dbraw/zinc/31/50/63/476315063.db2.gz LFRQXXIQCYBWJF-MJGOQNOKSA-N 1 3 346.519 2.723 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1(O)CCN(C)CC1 ZINC000360647463 476328302 /nfs/dbraw/zinc/32/83/02/476328302.db2.gz MRVDVMLUMLLJPX-ZDUSSCGKSA-N 1 3 330.394 2.683 20 0 EFADHO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353945107 476332652 /nfs/dbraw/zinc/33/26/52/476332652.db2.gz NCTHGJAIBUSQLQ-RTWAWAEBSA-N 1 3 345.531 2.729 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000357389269 476354070 /nfs/dbraw/zinc/35/40/70/476354070.db2.gz KAFCUBHFAKIFKK-HHXXYDBFSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000357389269 476354073 /nfs/dbraw/zinc/35/40/73/476354073.db2.gz KAFCUBHFAKIFKK-HHXXYDBFSA-N 1 3 347.478 2.637 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2noc(C34CCCN3CCC4)n2)c1 ZINC000351203947 476359670 /nfs/dbraw/zinc/35/96/70/476359670.db2.gz DODGONXVQZNQPJ-UHFFFAOYSA-N 1 3 342.443 2.762 20 0 EFADHO C[C@H]1CN(Cc2ccc3ncccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354026676 476375838 /nfs/dbraw/zinc/37/58/38/476375838.db2.gz XOSIGQVCQAMCQN-UWJYYQICSA-N 1 3 338.499 2.693 20 0 EFADHO CC(C)(C)[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CS1 ZINC000377385066 476376722 /nfs/dbraw/zinc/37/67/22/476376722.db2.gz BSLMKNUWLZWCKZ-XIRDDKMYSA-N 1 3 326.550 2.997 20 0 EFADHO CC(C)(C)[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377385062 476376982 /nfs/dbraw/zinc/37/69/82/476376982.db2.gz BSLMKNUWLZWCKZ-PVAVHDDUSA-N 1 3 326.550 2.997 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000373124233 476377684 /nfs/dbraw/zinc/37/76/84/476377684.db2.gz QJHICXCEKZACJT-IEBWSBKVSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)(CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CCCCC1 ZINC000369044847 476387758 /nfs/dbraw/zinc/38/77/58/476387758.db2.gz UETGTICSIBQMBO-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802950 476416114 /nfs/dbraw/zinc/41/61/14/476416114.db2.gz QMGZFKRPHWYDQP-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802950 476416118 /nfs/dbraw/zinc/41/61/18/476416118.db2.gz QMGZFKRPHWYDQP-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802950 476416121 /nfs/dbraw/zinc/41/61/21/476416121.db2.gz QMGZFKRPHWYDQP-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000354100622 476426304 /nfs/dbraw/zinc/42/63/04/476426304.db2.gz ODRAISJKLJFFMC-UYAOXDASSA-N 1 3 343.515 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000354100622 476426311 /nfs/dbraw/zinc/42/63/11/476426311.db2.gz ODRAISJKLJFFMC-UYAOXDASSA-N 1 3 343.515 2.687 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)C2)CC1 ZINC000377539644 476440208 /nfs/dbraw/zinc/44/02/08/476440208.db2.gz FHCZWTCSLRZRKH-OBONGRFPSA-N 1 3 349.469 2.969 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CC(c4cc(F)cc(F)c4)C3)C2)CC1 ZINC000377539645 476441105 /nfs/dbraw/zinc/44/11/05/476441105.db2.gz FHCZWTCSLRZRKH-ZCDLSOSASA-N 1 3 349.469 2.969 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373941070 476442634 /nfs/dbraw/zinc/44/26/34/476442634.db2.gz AANNOHDXMXUBIW-XHSDSOJGSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373941070 476442641 /nfs/dbraw/zinc/44/26/41/476442641.db2.gz AANNOHDXMXUBIW-XHSDSOJGSA-N 1 3 331.460 2.629 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000362853943 476443179 /nfs/dbraw/zinc/44/31/79/476443179.db2.gz GNTSQJCKAUEJGM-QGZVFWFLSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000362853943 476443187 /nfs/dbraw/zinc/44/31/87/476443187.db2.gz GNTSQJCKAUEJGM-QGZVFWFLSA-N 1 3 329.488 2.552 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000363595159 476452153 /nfs/dbraw/zinc/45/21/53/476452153.db2.gz LWPLXIFMJUCFAX-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362908561 476473545 /nfs/dbraw/zinc/47/35/45/476473545.db2.gz GVNHCERJYCRYCQ-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362908561 476473549 /nfs/dbraw/zinc/47/35/49/476473549.db2.gz GVNHCERJYCRYCQ-QGZVFWFLSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362908560 476474075 /nfs/dbraw/zinc/47/40/75/476474075.db2.gz GVNHCERJYCRYCQ-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC000362908560 476474083 /nfs/dbraw/zinc/47/40/83/476474083.db2.gz GVNHCERJYCRYCQ-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CN(Cc1cccc2[nH]ccc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377619985 476477536 /nfs/dbraw/zinc/47/75/36/476477536.db2.gz DLWIMKJLLXGVHO-SFHVURJKSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1cccc2[nH]ccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377619985 476477544 /nfs/dbraw/zinc/47/75/44/476477544.db2.gz DLWIMKJLLXGVHO-SFHVURJKSA-N 1 3 326.488 2.768 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360922972 476478912 /nfs/dbraw/zinc/47/89/12/476478912.db2.gz AGKOYELXQRFDEN-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000357605021 476484778 /nfs/dbraw/zinc/48/47/78/476484778.db2.gz HWJYYERDGRTQGS-INIZCTEOSA-N 1 3 346.519 2.923 20 0 EFADHO C[NH+](C)CCOCCNCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000354189283 476490814 /nfs/dbraw/zinc/49/08/14/476490814.db2.gz HPXXOCOFYZMTNY-UHFFFAOYSA-N 1 3 344.503 2.838 20 0 EFADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000369734971 476500175 /nfs/dbraw/zinc/50/01/75/476500175.db2.gz BCLBGRWSAHUWGC-ZWKOTPCHSA-N 1 3 328.456 2.536 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000369734971 476500181 /nfs/dbraw/zinc/50/01/81/476500181.db2.gz BCLBGRWSAHUWGC-ZWKOTPCHSA-N 1 3 328.456 2.536 20 0 EFADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000369734968 476501146 /nfs/dbraw/zinc/50/11/46/476501146.db2.gz BCLBGRWSAHUWGC-MSOLQXFVSA-N 1 3 328.456 2.536 20 0 EFADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000369734968 476501152 /nfs/dbraw/zinc/50/11/52/476501152.db2.gz BCLBGRWSAHUWGC-MSOLQXFVSA-N 1 3 328.456 2.536 20 0 EFADHO C[C@H](CCNC(=O)N1CCN(C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351896602 476506618 /nfs/dbraw/zinc/50/66/18/476506618.db2.gz NYHSQBBMLAAVTK-MSOLQXFVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCN(C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351896602 476506625 /nfs/dbraw/zinc/50/66/25/476506625.db2.gz NYHSQBBMLAAVTK-MSOLQXFVSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000354222433 476515472 /nfs/dbraw/zinc/51/54/72/476515472.db2.gz JGMRALCJLTZQBM-HOTGVXAUSA-N 1 3 334.460 2.989 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000354222433 476515475 /nfs/dbraw/zinc/51/54/75/476515475.db2.gz JGMRALCJLTZQBM-HOTGVXAUSA-N 1 3 334.460 2.989 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354223922 476516907 /nfs/dbraw/zinc/51/69/07/476516907.db2.gz LTNKEPCTZHWWBY-DOTOQJQBSA-N 1 3 334.460 2.657 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354223922 476516913 /nfs/dbraw/zinc/51/69/13/476516913.db2.gz LTNKEPCTZHWWBY-DOTOQJQBSA-N 1 3 334.460 2.657 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000352129944 476525342 /nfs/dbraw/zinc/52/53/42/476525342.db2.gz DSIJBROSAQRTFM-BRWVUGGUSA-N 1 3 330.538 2.586 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000364561132 476533721 /nfs/dbraw/zinc/53/37/21/476533721.db2.gz MYYVJTYPYZWCJY-GPMSIDNRSA-N 1 3 347.528 2.637 20 0 EFADHO CN(Cc1cccc(C[N@H+](C)[C@@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000352188503 476535896 /nfs/dbraw/zinc/53/58/96/476535896.db2.gz ZMEPLBIJVVQTGF-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1cccc(C[N@@H+](C)[C@@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000352188503 476535906 /nfs/dbraw/zinc/53/59/06/476535906.db2.gz ZMEPLBIJVVQTGF-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377752994 476561476 /nfs/dbraw/zinc/56/14/76/476561476.db2.gz ZJIXIUGNESEOCV-ZCNNSNEGSA-N 1 3 341.499 2.575 20 0 EFADHO CC(=O)N1CC[C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879046 476570205 /nfs/dbraw/zinc/57/02/05/476570205.db2.gz IWVUTWVZLXVCRT-OXQOHEQNSA-N 1 3 327.472 2.554 20 0 EFADHO CC(=O)N1CC[C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879046 476570207 /nfs/dbraw/zinc/57/02/07/476570207.db2.gz IWVUTWVZLXVCRT-OXQOHEQNSA-N 1 3 327.472 2.554 20 0 EFADHO C[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@@H+]1CCCC[C@H]1C ZINC000352271838 476601194 /nfs/dbraw/zinc/60/11/94/476601194.db2.gz FJIJMKHDRCCKEW-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@H+]1CCCC[C@H]1C ZINC000352271838 476601198 /nfs/dbraw/zinc/60/11/98/476601198.db2.gz FJIJMKHDRCCKEW-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@@H+]1CCCC[C@@H]1C ZINC000352271837 476602279 /nfs/dbraw/zinc/60/22/79/476602279.db2.gz FJIJMKHDRCCKEW-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@H+]1CCCC[C@@H]1C ZINC000352271837 476602284 /nfs/dbraw/zinc/60/22/84/476602284.db2.gz FJIJMKHDRCCKEW-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000354354751 476606582 /nfs/dbraw/zinc/60/65/82/476606582.db2.gz YVBLFUBQWGKUCO-SFHVURJKSA-N 1 3 332.488 2.730 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000354354751 476606587 /nfs/dbraw/zinc/60/65/87/476606587.db2.gz YVBLFUBQWGKUCO-SFHVURJKSA-N 1 3 332.488 2.730 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000354354751 476606592 /nfs/dbraw/zinc/60/65/92/476606592.db2.gz YVBLFUBQWGKUCO-SFHVURJKSA-N 1 3 332.488 2.730 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)ccc1OC ZINC000361121716 476616114 /nfs/dbraw/zinc/61/61/14/476616114.db2.gz HYFRCMREUOQVKT-GOSISDBHSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)ccc1OC ZINC000361121716 476616117 /nfs/dbraw/zinc/61/61/17/476616117.db2.gz HYFRCMREUOQVKT-GOSISDBHSA-N 1 3 337.483 2.682 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365644263 476661116 /nfs/dbraw/zinc/66/11/16/476661116.db2.gz XPFFGQBXWFRCEO-GJZGRUSLSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365644263 476661120 /nfs/dbraw/zinc/66/11/20/476661120.db2.gz XPFFGQBXWFRCEO-GJZGRUSLSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365644267 476661368 /nfs/dbraw/zinc/66/13/68/476661368.db2.gz XPFFGQBXWFRCEO-LSDHHAIUSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365644267 476661376 /nfs/dbraw/zinc/66/13/76/476661376.db2.gz XPFFGQBXWFRCEO-LSDHHAIUSA-N 1 3 341.455 2.851 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000354451310 476669515 /nfs/dbraw/zinc/66/95/15/476669515.db2.gz AVLYYPWIDDEUIN-PZJWPPBQSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000354452039 476670199 /nfs/dbraw/zinc/67/01/99/476670199.db2.gz BEBOIALKKGDTJZ-MRXNPFEDSA-N 1 3 332.488 2.548 20 0 EFADHO CC[NH+]1CCN(c2cccc(NC(=O)CN3[C@H](C)CC[C@H]3C)c2)CC1 ZINC000354496560 476687054 /nfs/dbraw/zinc/68/70/54/476687054.db2.gz OIJDYTSVAYDOLR-IAGOWNOFSA-N 1 3 344.503 2.640 20 0 EFADHO COC1([C@H](C)NCc2ccncc2OCC[NH+](C)C)CCCCC1 ZINC000421853084 476697162 /nfs/dbraw/zinc/69/71/62/476697162.db2.gz JHAMLVFFMVATSC-INIZCTEOSA-N 1 3 335.492 2.849 20 0 EFADHO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000378353415 476698802 /nfs/dbraw/zinc/69/88/02/476698802.db2.gz FOTTXLHHUSUCFU-VQTJNVASSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C)c1ccc(CCNC(=O)CN2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058099 476708046 /nfs/dbraw/zinc/70/80/46/476708046.db2.gz JFUSHBCOCFHJFC-SFHVURJKSA-N 1 3 345.531 2.704 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]CCCN2CCCCC2)c2ccccc2C1 ZINC000378502615 476716414 /nfs/dbraw/zinc/71/64/14/476716414.db2.gz WDKDXXLATCMAHJ-FQEVSTJZSA-N 1 3 329.488 2.946 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cc(F)cc(F)c2)C[C@@H]1C[NH3+] ZINC000422626017 476721879 /nfs/dbraw/zinc/72/18/79/476721879.db2.gz DAPJOKPYWRYSJT-UPJWGTAASA-N 1 3 325.403 2.599 20 0 EFADHO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000422627001 476721921 /nfs/dbraw/zinc/72/19/21/476721921.db2.gz MIRNMKGMLZGZCC-HXUWFJFHSA-N 1 3 349.478 2.815 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@@H]1CN ZINC000422635947 476726638 /nfs/dbraw/zinc/72/66/38/476726638.db2.gz MDSPKIGSCHELKJ-YCPHGPKFSA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@@H]1CN ZINC000422635947 476726646 /nfs/dbraw/zinc/72/66/46/476726646.db2.gz MDSPKIGSCHELKJ-YCPHGPKFSA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)NCc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000422635947 476726652 /nfs/dbraw/zinc/72/66/52/476726652.db2.gz MDSPKIGSCHELKJ-YCPHGPKFSA-N 1 3 337.895 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379668706 476731549 /nfs/dbraw/zinc/73/15/49/476731549.db2.gz FBGJNGTUYXULGS-BHIYHBOVSA-N 1 3 329.488 2.688 20 0 EFADHO O=C1C[C@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCCN1 ZINC000380094633 476732168 /nfs/dbraw/zinc/73/21/68/476732168.db2.gz VSQZOTLPADRWAA-RTBURBONSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094633 476732173 /nfs/dbraw/zinc/73/21/73/476732173.db2.gz VSQZOTLPADRWAA-RTBURBONSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094633 476732180 /nfs/dbraw/zinc/73/21/80/476732180.db2.gz VSQZOTLPADRWAA-RTBURBONSA-N 1 3 329.488 2.547 20 0 EFADHO CN(C(=O)[C@H]1CCCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000379891878 476733594 /nfs/dbraw/zinc/73/35/94/476733594.db2.gz FERSXLUEVICKRE-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000445264984 476733712 /nfs/dbraw/zinc/73/37/12/476733712.db2.gz MUHSMHGLCRXJOO-UHFFFAOYSA-N 1 3 338.540 2.671 20 0 EFADHO COc1ccc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC1CCCC1 ZINC000422710196 476738376 /nfs/dbraw/zinc/73/83/76/476738376.db2.gz LBQXDJVIZONYFX-JCGIZDLHSA-N 1 3 348.487 2.859 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422713436 476738533 /nfs/dbraw/zinc/73/85/33/476738533.db2.gz PRZLKCJLQZGOOW-PLMTUMEDSA-N 1 3 339.483 2.822 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422713483 476738885 /nfs/dbraw/zinc/73/88/85/476738885.db2.gz JVNMKXCSYFFBPH-SLFFLAALSA-N 1 3 333.520 2.946 20 0 EFADHO C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)N1CCc2ccccc2C1 ZINC000422712306 476739860 /nfs/dbraw/zinc/73/98/60/476739860.db2.gz IHPYMUKWFZXHRA-KGVIQGDOSA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422712306 476739864 /nfs/dbraw/zinc/73/98/64/476739864.db2.gz IHPYMUKWFZXHRA-KGVIQGDOSA-N 1 3 337.511 2.981 20 0 EFADHO N[C@H]1CCCCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422713976 476740583 /nfs/dbraw/zinc/74/05/83/476740583.db2.gz QKXPVQJEODEJGV-DLBZAZTESA-N 1 3 325.566 2.988 20 0 EFADHO COc1cccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422714613 476741028 /nfs/dbraw/zinc/74/10/28/476741028.db2.gz RETMDANESBYBFC-DOTOQJQBSA-N 1 3 340.471 2.787 20 0 EFADHO N[C@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422713978 476741252 /nfs/dbraw/zinc/74/12/52/476741252.db2.gz QKXPVQJEODEJGV-IRXDYDNUSA-N 1 3 325.566 2.988 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000381957837 476741528 /nfs/dbraw/zinc/74/15/28/476741528.db2.gz FYBDOESZRWPPMA-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CC[C@H](NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422716847 476741530 /nfs/dbraw/zinc/74/15/30/476741530.db2.gz UUAILWLLVREKNH-ROUUACIJSA-N 1 3 334.508 2.624 20 0 EFADHO CC[C@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCCN1 ZINC000422716847 476741536 /nfs/dbraw/zinc/74/15/36/476741536.db2.gz UUAILWLLVREKNH-ROUUACIJSA-N 1 3 334.508 2.624 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCCC[C@H]3CN)CC2)oc1C ZINC000422719225 476743763 /nfs/dbraw/zinc/74/37/63/476743763.db2.gz YEIVVYPNYYRNMP-ZWKOTPCHSA-N 1 3 334.508 2.611 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422730597 476748609 /nfs/dbraw/zinc/74/86/09/476748609.db2.gz MHMAXBJEPOSPRM-HEHGZKQESA-N 1 3 329.410 2.995 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000383569107 476751301 /nfs/dbraw/zinc/75/13/01/476751301.db2.gz JRGPPYCRXQPMQL-GBESFXJTSA-N 1 3 329.488 2.675 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000383569109 476752365 /nfs/dbraw/zinc/75/23/65/476752365.db2.gz JRGPPYCRXQPMQL-IPMKNSEASA-N 1 3 329.488 2.675 20 0 EFADHO CSc1nnc(CCC[NH2+][C@@H]2CCCC[C@@H]2CN)n1CC(C)C ZINC000422735012 476752470 /nfs/dbraw/zinc/75/24/70/476752470.db2.gz UEDSGQGPGRFCEP-HUUCEWRRSA-N 1 3 339.553 2.696 20 0 EFADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)N)CCCC1 ZINC000422741994 476753754 /nfs/dbraw/zinc/75/37/54/476753754.db2.gz QQLCTPAACIIDNI-SOLBZPMBSA-N 1 3 332.488 2.849 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCCC1 ZINC000422741994 476753761 /nfs/dbraw/zinc/75/37/61/476753761.db2.gz QQLCTPAACIIDNI-SOLBZPMBSA-N 1 3 332.488 2.849 20 0 EFADHO CN1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccccc1 ZINC000365893326 476754609 /nfs/dbraw/zinc/75/46/09/476754609.db2.gz XPWCOJOOUGHJKT-WOJBJXKFSA-N 1 3 337.467 2.923 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2sccc2C1 ZINC000422739981 476754887 /nfs/dbraw/zinc/75/48/87/476754887.db2.gz MMZSLJBMEHXYKM-MAUKXSAKSA-N 1 3 329.513 2.654 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000422738371 476755222 /nfs/dbraw/zinc/75/52/22/476755222.db2.gz JPMOAGBKDYMAOE-OAGGEKHMSA-N 1 3 336.499 2.744 20 0 EFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1N1CCN(C)CC1 ZINC000422746715 476757142 /nfs/dbraw/zinc/75/71/42/476757142.db2.gz XAIXJRKSBIHRGN-NAZJXLNTSA-N 1 3 346.494 2.511 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000422749430 476757211 /nfs/dbraw/zinc/75/72/11/476757211.db2.gz ZCNQBEOZVPWCEE-NUEKZKHPSA-N 1 3 332.492 2.583 20 0 EFADHO O=C(NCCCN(Cc1ccccc1)Cc1ccccc1)[C@H]1CC[NH2+]1 ZINC000384807777 476758197 /nfs/dbraw/zinc/75/81/97/476758197.db2.gz DJBFYGGFRKBGKY-HXUWFJFHSA-N 1 3 337.467 2.557 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751571 476760159 /nfs/dbraw/zinc/76/01/59/476760159.db2.gz BOOCNTGWCCUGJX-MELADBBJSA-N 1 3 325.403 2.584 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751571 476760166 /nfs/dbraw/zinc/76/01/66/476760166.db2.gz BOOCNTGWCCUGJX-MELADBBJSA-N 1 3 325.403 2.584 20 0 EFADHO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422754924 476760975 /nfs/dbraw/zinc/76/09/75/476760975.db2.gz GIZCSEVITRQUKO-ZDUSSCGKSA-N 1 3 329.444 2.759 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)n1 ZINC000422756316 476761343 /nfs/dbraw/zinc/76/13/43/476761343.db2.gz HUNQVRCJIKOZDM-GUDVDZBRSA-N 1 3 328.504 2.869 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H]2CSc3ccccc32)CC[NH2+]CC1 ZINC000422760093 476764397 /nfs/dbraw/zinc/76/43/97/476764397.db2.gz LOVZWVAOCCOJIZ-DZGCQCFKSA-N 1 3 334.485 2.744 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)CC2)n1 ZINC000422765285 476765787 /nfs/dbraw/zinc/76/57/87/476765787.db2.gz QSAULCPLNFMLLW-XLIONFOSSA-N 1 3 338.499 2.907 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])CC2)n1 ZINC000422765285 476765791 /nfs/dbraw/zinc/76/57/91/476765791.db2.gz QSAULCPLNFMLLW-XLIONFOSSA-N 1 3 338.499 2.907 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000422772474 476769602 /nfs/dbraw/zinc/76/96/02/476769602.db2.gz YRYYQWRHEMRGIP-QSFXBCCZSA-N 1 3 330.447 2.525 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000387431909 476771859 /nfs/dbraw/zinc/77/18/59/476771859.db2.gz QIIQFBTVZQIWLL-ZDUSSCGKSA-N 1 3 347.286 2.807 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1c1ccccc1 ZINC000452005276 476772162 /nfs/dbraw/zinc/77/21/62/476772162.db2.gz LWOIPMOTQLVXPI-IPMKNSEASA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1c1ccccc1 ZINC000452005276 476772168 /nfs/dbraw/zinc/77/21/68/476772168.db2.gz LWOIPMOTQLVXPI-IPMKNSEASA-N 1 3 330.472 2.749 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000387698615 476772544 /nfs/dbraw/zinc/77/25/44/476772544.db2.gz WSBCFPHKFINLJJ-ZWKOTPCHSA-N 1 3 331.504 2.964 20 0 EFADHO c1ccc2c(c1)C[C@H](N[C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422787152 476774841 /nfs/dbraw/zinc/77/48/41/476774841.db2.gz RBDGZBUOAKGVNT-YRISNDGFSA-N 1 3 336.435 2.836 20 0 EFADHO CCN(CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792264 476778626 /nfs/dbraw/zinc/77/86/26/476778626.db2.gz VYKYCUVYDWKLLV-VAMGGRTRSA-N 1 3 331.504 2.650 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000422806245 476784047 /nfs/dbraw/zinc/78/40/47/476784047.db2.gz NEGDGNXQYQYWCW-NJDAHSKKSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C[C@H](C)O1 ZINC000422804792 476784312 /nfs/dbraw/zinc/78/43/12/476784312.db2.gz FQYOKGNYVXRTIM-LXGFNABISA-N 1 3 345.531 2.774 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389749294 476785513 /nfs/dbraw/zinc/78/55/13/476785513.db2.gz JANICNVIRGWBNS-MKXAEBJUSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389749294 476785521 /nfs/dbraw/zinc/78/55/21/476785521.db2.gz JANICNVIRGWBNS-MKXAEBJUSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCc2ccccc2C1 ZINC000422806088 476785564 /nfs/dbraw/zinc/78/55/64/476785564.db2.gz JYGPNMMCEJENLW-XMSQKQJNSA-N 1 3 337.511 2.983 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422807185 476786439 /nfs/dbraw/zinc/78/64/39/476786439.db2.gz JGHRGTQKQZAKBD-XNFNUYLZSA-N 1 3 331.504 2.513 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389869844 476786926 /nfs/dbraw/zinc/78/69/26/476786926.db2.gz IXWMSYFWXSRABB-KBAYOESNSA-N 1 3 331.504 2.647 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000389892630 476787074 /nfs/dbraw/zinc/78/70/74/476787074.db2.gz AQFJIHKRALJRET-HKUYNNGSSA-N 1 3 343.515 2.922 20 0 EFADHO Cc1cccc(N2CCN(CCCCN[C@@H](C)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422815349 476790624 /nfs/dbraw/zinc/79/06/24/476790624.db2.gz XLSXSNUNLLNJPB-FPOVZHCZSA-N 1 3 344.547 2.627 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422816702 476792551 /nfs/dbraw/zinc/79/25/51/476792551.db2.gz FVBCHMAGKMNZGX-JOCBIADPSA-N 1 3 336.451 2.730 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000390721917 476796860 /nfs/dbraw/zinc/79/68/60/476796860.db2.gz ODGHBSTTYUQDOK-QGZVFWFLSA-N 1 3 339.483 2.699 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390775640 476799254 /nfs/dbraw/zinc/79/92/54/476799254.db2.gz MSACTLHNRZDTDT-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@H](CN1CCCCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837505 476803329 /nfs/dbraw/zinc/80/33/29/476803329.db2.gz UTHDEJWTJSAXRL-POAQFYNOSA-N 1 3 329.488 2.706 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422844041 476806262 /nfs/dbraw/zinc/80/62/62/476806262.db2.gz KQRZCXDJBAGSGR-OAHLLOKOSA-N 1 3 348.560 2.861 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390941395 476809460 /nfs/dbraw/zinc/80/94/60/476809460.db2.gz MSDJPPFREPMSFE-MNIJEXPFSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390941395 476809470 /nfs/dbraw/zinc/80/94/70/476809470.db2.gz MSDJPPFREPMSFE-MNIJEXPFSA-N 1 3 341.499 2.686 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000391683297 476814552 /nfs/dbraw/zinc/81/45/52/476814552.db2.gz SWXIRWFCTVBHPU-LPHOPBHVSA-N 1 3 331.504 2.901 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1 ZINC000391683297 476814559 /nfs/dbraw/zinc/81/45/59/476814559.db2.gz SWXIRWFCTVBHPU-LPHOPBHVSA-N 1 3 331.504 2.901 20 0 EFADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000422864427 476816267 /nfs/dbraw/zinc/81/62/67/476816267.db2.gz VBNMQNCPLIGCAH-BZUAXINKSA-N 1 3 333.442 2.914 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1ccn(-c2ccccc2)n1 ZINC000422864735 476816679 /nfs/dbraw/zinc/81/66/79/476816679.db2.gz VUNYRGCLLWZBTO-DYESRHJHSA-N 1 3 334.467 2.963 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422861988 476817196 /nfs/dbraw/zinc/81/71/96/476817196.db2.gz PGOBSWPULHAOIL-OAHLLOKOSA-N 1 3 335.455 2.928 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422869251 476820491 /nfs/dbraw/zinc/82/04/91/476820491.db2.gz XASQXUPYOCQUCW-KBXCAEBGSA-N 1 3 333.451 2.537 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc(C)cc2OCC)CC[NH2+]CC1 ZINC000422878147 476823211 /nfs/dbraw/zinc/82/32/11/476823211.db2.gz SOAQPYPXWUKHGO-INIZCTEOSA-N 1 3 348.487 2.805 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@H]3CN)CCOCC2)cc1 ZINC000422875923 476823882 /nfs/dbraw/zinc/82/38/82/476823882.db2.gz DMURNLBIRMMBBC-LPHOPBHVSA-N 1 3 332.488 2.851 20 0 EFADHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392268098 476824349 /nfs/dbraw/zinc/82/43/49/476824349.db2.gz QRKOWXWYWHYVEE-DLBZAZTESA-N 1 3 337.508 2.921 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2CN)cc1OC(F)F ZINC000422880140 476825490 /nfs/dbraw/zinc/82/54/90/476825490.db2.gz NIIKPZCLSZSJAF-ZIAGYGMSSA-N 1 3 328.403 2.946 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCNCC[C@H]3C)C2)c1 ZINC000422879647 476825927 /nfs/dbraw/zinc/82/59/27/476825927.db2.gz VUVKVJOWGHJMEV-JXXFODFXSA-N 1 3 347.503 2.508 20 0 EFADHO COc1cc(OC)c(CC[NH2+][C@H]2C[C@H](N)c3ccccc32)c(OC)c1 ZINC000422885887 476827276 /nfs/dbraw/zinc/82/72/76/476827276.db2.gz HOTDYBJGSLULFN-ROUUACIJSA-N 1 3 342.439 2.989 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2nc(C(C)C)cs2)CC[NH2+]CC1 ZINC000422893412 476831263 /nfs/dbraw/zinc/83/12/63/476831263.db2.gz QLAQWEIXQBPPTR-ZDUSSCGKSA-N 1 3 339.505 2.678 20 0 EFADHO CCN1CCN(Cc2ccccc2CN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422896112 476831823 /nfs/dbraw/zinc/83/18/23/476831823.db2.gz XKACNQOBKYILRX-NHCUHLMSSA-N 1 3 344.547 2.574 20 0 EFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCCN3)CC2)nc1 ZINC000422897726 476833880 /nfs/dbraw/zinc/83/38/80/476833880.db2.gz KHEBTTZZRVHAOZ-NJDAHSKKSA-N 1 3 342.531 2.946 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902187 476837118 /nfs/dbraw/zinc/83/71/18/476837118.db2.gz TZHNTTMNLBHMBF-UTKZUKDTSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000422902187 476837124 /nfs/dbraw/zinc/83/71/24/476837124.db2.gz TZHNTTMNLBHMBF-UTKZUKDTSA-N 1 3 338.499 2.594 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119937 476838800 /nfs/dbraw/zinc/83/88/00/476838800.db2.gz QMJPZMXFDKBXHV-SFTDATJTSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119937 476838805 /nfs/dbraw/zinc/83/88/05/476838805.db2.gz QMJPZMXFDKBXHV-SFTDATJTSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]([NH3+])C[C@@H](C)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922674 476846524 /nfs/dbraw/zinc/84/65/24/476846524.db2.gz QODMNYNPYMYDOS-RKDXNWHRSA-N 1 3 325.762 2.848 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920705 476846952 /nfs/dbraw/zinc/84/69/52/476846952.db2.gz MSCMCEASTZTAPI-CABZTGNLSA-N 1 3 337.773 2.850 20 0 EFADHO [NH3+][C@@H]1C[C@H](NCCCc2nnc3n2CCCCC3)c2ccccc21 ZINC000422925444 476848137 /nfs/dbraw/zinc/84/81/37/476848137.db2.gz VGIHCAJDTUOVIR-SJORKVTESA-N 1 3 325.460 2.672 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422926346 476848402 /nfs/dbraw/zinc/84/84/02/476848402.db2.gz WNEPZGHRLULNQK-FXAWDEMLSA-N 1 3 330.520 2.624 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000422923630 476849147 /nfs/dbraw/zinc/84/91/47/476849147.db2.gz SDCGQFFXNWHOJW-WOJBJXKFSA-N 1 3 330.520 2.896 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000430545421 476851895 /nfs/dbraw/zinc/85/18/95/476851895.db2.gz QJYYNAXEGKMBEH-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CCOC(=O)C1([C@H](C)NC2(c3ccc(OC)cc3)CC2)CC[NH2+]CC1 ZINC000422937003 476854194 /nfs/dbraw/zinc/85/41/94/476854194.db2.gz NLSHMVWSNPLWAE-HNNXBMFYSA-N 1 3 346.471 2.595 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422938271 476855116 /nfs/dbraw/zinc/85/51/16/476855116.db2.gz DLWKCBQGAVKMJV-WFASDCNBSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1 ZINC000422938271 476855123 /nfs/dbraw/zinc/85/51/23/476855123.db2.gz DLWKCBQGAVKMJV-WFASDCNBSA-N 1 3 327.266 2.935 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414058329 476857168 /nfs/dbraw/zinc/85/71/68/476857168.db2.gz HBGGGKYAUMKJAT-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccn(C)n1 ZINC000414061034 476857837 /nfs/dbraw/zinc/85/78/37/476857837.db2.gz BIVJYXUMEYRAKI-GOSISDBHSA-N 1 3 341.503 2.673 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Br)cs1 ZINC000397600441 476857890 /nfs/dbraw/zinc/85/78/90/476857890.db2.gz TVFIFXPMXAOUSZ-JTQLQIEISA-N 1 3 333.295 2.618 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414060268 476858071 /nfs/dbraw/zinc/85/80/71/476858071.db2.gz JITRCMKDCSJUQN-ROUUACIJSA-N 1 3 339.568 2.976 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000422948244 476860562 /nfs/dbraw/zinc/86/05/62/476860562.db2.gz QYJLIXDOLIAMPQ-XKGFGPFHSA-N 1 3 345.531 2.774 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430566984 476862065 /nfs/dbraw/zinc/86/20/65/476862065.db2.gz DDDJSAFMZKVVLJ-HNNXBMFYSA-N 1 3 331.382 2.997 20 0 EFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422950559 476862358 /nfs/dbraw/zinc/86/23/58/476862358.db2.gz YJJMOLILXZAWHG-CEXWTWQISA-N 1 3 332.488 2.720 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@H]3CCCC[C@H]3CN)cc2)n1 ZINC000422952144 476862571 /nfs/dbraw/zinc/86/25/71/476862571.db2.gz BWVNKXMPXMHGEO-IRXDYDNUSA-N 1 3 328.460 2.949 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000430570501 476863375 /nfs/dbraw/zinc/86/33/75/476863375.db2.gz KLHYNGPNFGIIOM-OALUTQOASA-N 1 3 331.504 2.876 20 0 EFADHO C[C@@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCC2 ZINC000414074965 476864937 /nfs/dbraw/zinc/86/49/37/476864937.db2.gz HALWRHJAOASIHF-OAHLLOKOSA-N 1 3 325.460 2.792 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422959066 476866169 /nfs/dbraw/zinc/86/61/69/476866169.db2.gz QJKZPDDFUINTCL-ZCNNSNEGSA-N 1 3 341.499 2.819 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000422957553 476866672 /nfs/dbraw/zinc/86/66/72/476866672.db2.gz NJWXHKZEOOEQEB-UYAOXDASSA-N 1 3 345.531 2.570 20 0 EFADHO O=C(C1CCC1)N(CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422959464 476867270 /nfs/dbraw/zinc/86/72/70/476867270.db2.gz SCUNDDAHAKLVFY-QRVBRYPASA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CN ZINC000430583459 476868354 /nfs/dbraw/zinc/86/83/54/476868354.db2.gz MIDVHAFGXDNUPX-WFASDCNBSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CN ZINC000430583459 476868362 /nfs/dbraw/zinc/86/83/62/476868362.db2.gz MIDVHAFGXDNUPX-WFASDCNBSA-N 1 3 334.851 2.992 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNc1cccc(Br)c1 ZINC000422964449 476868862 /nfs/dbraw/zinc/86/88/62/476868862.db2.gz LRBRXJFFHQNDHK-SWLSCSKDSA-N 1 3 326.282 2.968 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964449 476868871 /nfs/dbraw/zinc/86/88/71/476868871.db2.gz LRBRXJFFHQNDHK-SWLSCSKDSA-N 1 3 326.282 2.968 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CN1Cc1ccccc1 ZINC000398192236 476870569 /nfs/dbraw/zinc/87/05/69/476870569.db2.gz ZVQRWQNEMDDKOI-KBAYOESNSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1cccc(Br)c1 ZINC000430585790 476870737 /nfs/dbraw/zinc/87/07/37/476870737.db2.gz XJNNWMDVSOMORA-HNNXBMFYSA-N 1 3 342.281 2.741 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422966740 476870850 /nfs/dbraw/zinc/87/08/50/476870850.db2.gz ALZHOHJHIVDEDS-KXBFYZLASA-N 1 3 325.456 2.919 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422971303 476872570 /nfs/dbraw/zinc/87/25/70/476872570.db2.gz YCLGECPTAGJJDQ-UZLBHIALSA-N 1 3 332.488 2.860 20 0 EFADHO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414188621 476875110 /nfs/dbraw/zinc/87/51/10/476875110.db2.gz IXLPGQIWWRMPDH-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414180982 476875148 /nfs/dbraw/zinc/87/51/48/476875148.db2.gz BMYWPJOOHUVYHO-XLIONFOSSA-N 1 3 343.515 2.621 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422978433 476875671 /nfs/dbraw/zinc/87/56/71/476875671.db2.gz HDXHQZXELXIIJZ-WOJBJXKFSA-N 1 3 331.504 2.963 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953492 476879568 /nfs/dbraw/zinc/87/95/68/476879568.db2.gz FYIMMBBJTIONHO-PMPSAXMXSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953492 476879576 /nfs/dbraw/zinc/87/95/76/476879576.db2.gz FYIMMBBJTIONHO-PMPSAXMXSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422993213 476882465 /nfs/dbraw/zinc/88/24/65/476882465.db2.gz RCAZNGBDLWFPRP-UTKZUKDTSA-N 1 3 338.499 2.846 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000422999188 476885137 /nfs/dbraw/zinc/88/51/37/476885137.db2.gz DWPWGFXXUMSZRK-MAZHCROVSA-N 1 3 346.393 2.607 20 0 EFADHO C[C@H]1CN(CCC2CCN(CC[NH2+]C(C)(C)C)CC2)C[C@H](C)O1 ZINC000414701548 476886822 /nfs/dbraw/zinc/88/68/22/476886822.db2.gz HQMZNOVAHBFJAH-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687333 476886846 /nfs/dbraw/zinc/88/68/46/476886846.db2.gz CKSTWRJYXAKINA-PKOBYXMFSA-N 1 3 329.488 2.719 20 0 EFADHO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687333 476886853 /nfs/dbraw/zinc/88/68/53/476886853.db2.gz CKSTWRJYXAKINA-PKOBYXMFSA-N 1 3 329.488 2.719 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000414680456 476887132 /nfs/dbraw/zinc/88/71/32/476887132.db2.gz UEIIBDRQAFDPHY-OAHLLOKOSA-N 1 3 335.879 2.502 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000414680456 476887139 /nfs/dbraw/zinc/88/71/39/476887139.db2.gz UEIIBDRQAFDPHY-OAHLLOKOSA-N 1 3 335.879 2.502 20 0 EFADHO OC[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423011119 476891243 /nfs/dbraw/zinc/89/12/43/476891243.db2.gz ZBHJWBUDGFQECR-FBBABVLZSA-N 1 3 338.451 2.608 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414809973 476891590 /nfs/dbraw/zinc/89/15/90/476891590.db2.gz UYFAHDAOZRQMOO-FXAWDEMLSA-N 1 3 333.495 2.940 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000414783846 476891686 /nfs/dbraw/zinc/89/16/86/476891686.db2.gz HPDVALVAWMXKAA-MJGOQNOKSA-N 1 3 329.419 2.702 20 0 EFADHO CC[C@H](NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018172 476892901 /nfs/dbraw/zinc/89/29/01/476892901.db2.gz YFQJKJUEPQMLRI-FHWLQOOXSA-N 1 3 329.488 2.545 20 0 EFADHO [NH3+][C@@H]1C[C@H](NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c2ccccc21 ZINC000423018576 476892954 /nfs/dbraw/zinc/89/29/54/476892954.db2.gz ZHNKLBVPBZYPBS-DBVUQKKJSA-N 1 3 335.451 2.770 20 0 EFADHO CO[C@@H]1[C@H](C)[C@H](N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423016416 476892983 /nfs/dbraw/zinc/89/29/83/476892983.db2.gz MQPWMQXSRCOFNB-HFJOKLDRSA-N 1 3 330.472 2.891 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CN[C@@H](C)Cn2cc(Br)cn2)cc1 ZINC000414812478 476893738 /nfs/dbraw/zinc/89/37/38/476893738.db2.gz RIYCPASQYRHPMO-NWDGAFQWSA-N 1 3 337.265 2.844 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635366 476894036 /nfs/dbraw/zinc/89/40/36/476894036.db2.gz MPVQKRRPFQDFBF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635366 476894039 /nfs/dbraw/zinc/89/40/39/476894039.db2.gz MPVQKRRPFQDFBF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635366 476894043 /nfs/dbraw/zinc/89/40/43/476894043.db2.gz MPVQKRRPFQDFBF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCNC3)C[C@@H]2C1 ZINC000401133795 476897884 /nfs/dbraw/zinc/89/78/84/476897884.db2.gz USCPQNNODUTRMM-TWMKSMIVSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423038935 476900304 /nfs/dbraw/zinc/90/03/04/476900304.db2.gz DORSPKROTUZION-IAQYHMDHSA-N 1 3 327.831 2.692 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000370624481 476901325 /nfs/dbraw/zinc/90/13/25/476901325.db2.gz LRIZRXAJGPCQQH-FPOVZHCZSA-N 1 3 327.516 2.766 20 0 EFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414959242 476902437 /nfs/dbraw/zinc/90/24/37/476902437.db2.gz XCXSYJBRKZBLNC-XHSDSOJGSA-N 1 3 343.471 2.572 20 0 EFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000414965660 476905012 /nfs/dbraw/zinc/90/50/12/476905012.db2.gz ZVDVLMGTUTZPRC-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000423047131 476905745 /nfs/dbraw/zinc/90/57/45/476905745.db2.gz UXEGNYGOESQSCS-QMTHXVAHSA-N 1 3 330.259 2.816 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047204 476905916 /nfs/dbraw/zinc/90/59/16/476905916.db2.gz FVKOAUQLASAGRL-UONOGXRCSA-N 1 3 331.382 2.672 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(OC)cc1 ZINC000370636524 476907606 /nfs/dbraw/zinc/90/76/06/476907606.db2.gz RPVOZXMUDKYCDE-FXAWDEMLSA-N 1 3 331.504 2.904 20 0 EFADHO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370634354 476907735 /nfs/dbraw/zinc/90/77/35/476907735.db2.gz LEHKGJIBOQKFNZ-SJLPKXTDSA-N 1 3 331.504 2.904 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CSCCc4ccccc43)C2)CC1 ZINC000370638893 476908421 /nfs/dbraw/zinc/90/84/21/476908421.db2.gz ZZJGXJCXRROKFQ-XLIONFOSSA-N 1 3 345.556 2.775 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054606 476908599 /nfs/dbraw/zinc/90/85/99/476908599.db2.gz VBQYDDRQMRCFAF-SCRDCRAPSA-N 1 3 343.393 2.522 20 0 EFADHO Cc1ccc(Br)cc1CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423059460 476910417 /nfs/dbraw/zinc/91/04/17/476910417.db2.gz LTUGPPXDPCVWLX-BYCMXARLSA-N 1 3 327.266 2.599 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000370649509 476914651 /nfs/dbraw/zinc/91/46/51/476914651.db2.gz FEVKZKMUPUCVEL-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000370649509 476914657 /nfs/dbraw/zinc/91/46/57/476914657.db2.gz FEVKZKMUPUCVEL-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074406 476917078 /nfs/dbraw/zinc/91/70/78/476917078.db2.gz LOKGWQRCARMDMH-WQVCFCJDSA-N 1 3 330.394 2.505 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074404 476917468 /nfs/dbraw/zinc/91/74/68/476917468.db2.gz LOKGWQRCARMDMH-DAXOMENPSA-N 1 3 330.394 2.505 20 0 EFADHO CC[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423076547 476919458 /nfs/dbraw/zinc/91/94/58/476919458.db2.gz RNUYGJOUTKXUAP-ACRUOGEOSA-N 1 3 345.531 2.788 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1cccs1 ZINC000430806994 476920085 /nfs/dbraw/zinc/92/00/85/476920085.db2.gz OGMMRYVIPAMXPS-ZBFHGGJFSA-N 1 3 335.517 2.766 20 0 EFADHO C[C@@H](NCCCCn1cc(Br)cn1)[C@@H]1CCCC[NH2+]1 ZINC000423080354 476921238 /nfs/dbraw/zinc/92/12/38/476921238.db2.gz ACGTXRQNCXKDON-OCCSQVGLSA-N 1 3 329.286 2.546 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423083181 476922101 /nfs/dbraw/zinc/92/21/01/476922101.db2.gz FLZINJHKUIELHE-GXTWGEPZSA-N 1 3 329.286 2.533 20 0 EFADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000423089692 476924246 /nfs/dbraw/zinc/92/42/46/476924246.db2.gz SVZQFPXVAKBEFJ-CEXWTWQISA-N 1 3 332.488 2.819 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093348 476925240 /nfs/dbraw/zinc/92/52/40/476925240.db2.gz HCJFFJAAOLQMHG-MAZHCROVSA-N 1 3 346.393 2.512 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423093348 476925246 /nfs/dbraw/zinc/92/52/46/476925246.db2.gz HCJFFJAAOLQMHG-MAZHCROVSA-N 1 3 346.393 2.512 20 0 EFADHO Fc1cc(F)cc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423092242 476926109 /nfs/dbraw/zinc/92/61/09/476926109.db2.gz BBNCUYWDMXXMQZ-NTDXCCSUSA-N 1 3 336.426 2.958 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000423099999 476927014 /nfs/dbraw/zinc/92/70/14/476927014.db2.gz GCPPWIVPGGHSKE-RLLQIKCJSA-N 1 3 343.515 2.730 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2nccs2)CC1 ZINC000423114301 476932440 /nfs/dbraw/zinc/93/24/40/476932440.db2.gz ZHTNFQQFOLGJDL-PBHICJAKSA-N 1 3 330.501 2.660 20 0 EFADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000423115418 476932971 /nfs/dbraw/zinc/93/29/71/476932971.db2.gz NHTMUBYRMQYASE-LLLOQXOTSA-N 1 3 348.462 2.827 20 0 EFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423118424 476934445 /nfs/dbraw/zinc/93/44/45/476934445.db2.gz AMZSTWGNPXYCPR-OTNPHJDUSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415570456 476939155 /nfs/dbraw/zinc/93/91/55/476939155.db2.gz MBEFKAYOSVGGAJ-MSOLQXFVSA-N 1 3 344.503 2.644 20 0 EFADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)c(Cl)c1OC ZINC000423128436 476939086 /nfs/dbraw/zinc/93/90/86/476939086.db2.gz CXMWHUJYHSMECP-JSGCOSHPSA-N 1 3 326.868 2.877 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)c(Cl)c1OC ZINC000423128436 476939094 /nfs/dbraw/zinc/93/90/94/476939094.db2.gz CXMWHUJYHSMECP-JSGCOSHPSA-N 1 3 326.868 2.877 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(C[NH2+]C)CC2)cc1 ZINC000430936891 476942003 /nfs/dbraw/zinc/94/20/03/476942003.db2.gz XNSWOKUFKWFGHF-JKSUJKDBSA-N 1 3 331.504 2.746 20 0 EFADHO COc1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423140706 476942539 /nfs/dbraw/zinc/94/25/39/476942539.db2.gz ZFFNZIJZIHIEAI-HYVNUMGLSA-N 1 3 338.879 2.638 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(C[NH2+]C)CC2)cc1 ZINC000430936889 476943005 /nfs/dbraw/zinc/94/30/05/476943005.db2.gz XNSWOKUFKWFGHF-HOTGVXAUSA-N 1 3 331.504 2.746 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCOc1ccc(Cl)c(Cl)c1 ZINC000423152876 476945919 /nfs/dbraw/zinc/94/59/19/476945919.db2.gz FVXRPYJBLKJKAB-JVLSTEMRSA-N 1 3 333.259 2.714 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000423153278 476945965 /nfs/dbraw/zinc/94/59/65/476945965.db2.gz HIPHMBYTKORWAT-DYEKYZERSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)C[C@@H](C)N ZINC000423153278 476945971 /nfs/dbraw/zinc/94/59/71/476945971.db2.gz HIPHMBYTKORWAT-DYEKYZERSA-N 1 3 343.309 2.624 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430951680 476948123 /nfs/dbraw/zinc/94/81/23/476948123.db2.gz WEINYVBASYBYPN-LZWOXQAQSA-N 1 3 335.517 2.859 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000430954218 476949136 /nfs/dbraw/zinc/94/91/36/476949136.db2.gz IWVYZYLFXJHVOE-QGZVFWFLSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1Br ZINC000423158178 476949196 /nfs/dbraw/zinc/94/91/96/476949196.db2.gz CHXSAKHRBJRXEI-CORIIIEPSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC([C@H](C)[NH3+])CC1 ZINC000430955238 476949345 /nfs/dbraw/zinc/94/93/45/476949345.db2.gz LNJDBWBLFFTGAT-DLBZAZTESA-N 1 3 343.515 2.873 20 0 EFADHO C[C@@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430962088 476951569 /nfs/dbraw/zinc/95/15/69/476951569.db2.gz PJDNWIHRYQTTLG-RISCZKNCSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430966811 476952951 /nfs/dbraw/zinc/95/29/51/476952951.db2.gz QBMDCPULKQRTNQ-RDBSUJKOSA-N 1 3 337.895 2.965 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423174055 476953261 /nfs/dbraw/zinc/95/32/61/476953261.db2.gz BCZGYBAOLUSOFL-DOIPELPJSA-N 1 3 345.531 2.631 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423174596 476953348 /nfs/dbraw/zinc/95/33/48/476953348.db2.gz BHDVGVYOQGNKOJ-AWEZNQCLSA-N 1 3 339.505 2.760 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423174597 476954474 /nfs/dbraw/zinc/95/44/74/476954474.db2.gz BHDVGVYOQGNKOJ-CQSZACIVSA-N 1 3 339.505 2.760 20 0 EFADHO Fc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423180040 476955353 /nfs/dbraw/zinc/95/53/53/476955353.db2.gz NHMQLFJUWOBSOP-HXUWFJFHSA-N 1 3 327.447 2.800 20 0 EFADHO Cc1cc(Cl)c2c(c1)[C@H](NCCCN1CC[NH2+]CC1)CCCO2 ZINC000423183173 476956043 /nfs/dbraw/zinc/95/60/43/476956043.db2.gz RLULUKBTFGDEOE-QGZVFWFLSA-N 1 3 337.895 2.747 20 0 EFADHO CN1CC[C@H]([NH2+]CCCNCc2cccnc2)C[C@H]1c1ccccc1 ZINC000423185973 476957599 /nfs/dbraw/zinc/95/75/99/476957599.db2.gz KIKRPELBUDYYFM-SFTDATJTSA-N 1 3 338.499 2.986 20 0 EFADHO Clc1ccc([C@H](NCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423199019 476960629 /nfs/dbraw/zinc/96/06/29/476960629.db2.gz AEAHGNDDPUPXJJ-LJQANCHMSA-N 1 3 329.875 2.924 20 0 EFADHO C[C@@H](NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000431017294 476961008 /nfs/dbraw/zinc/96/10/08/476961008.db2.gz PHVFKPQAFHXPRW-CABCVRRESA-N 1 3 349.906 2.981 20 0 EFADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccccc1OCc1ccccc1 ZINC000423204109 476961926 /nfs/dbraw/zinc/96/19/26/476961926.db2.gz NOJPTVZOCROXNN-SFHVURJKSA-N 1 3 339.483 2.821 20 0 EFADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000431035292 476964702 /nfs/dbraw/zinc/96/47/02/476964702.db2.gz RMNABSRDIUILPJ-HNNXBMFYSA-N 1 3 338.455 2.637 20 0 EFADHO CC[C@H]([NH3+])C(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000431039266 476964898 /nfs/dbraw/zinc/96/48/98/476964898.db2.gz WLXJODJBDRTKJK-FQEVSTJZSA-N 1 3 339.483 2.885 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000415921151 476968729 /nfs/dbraw/zinc/96/87/29/476968729.db2.gz QJDASUITLGTNJW-UHFFFAOYSA-N 1 3 326.444 2.660 20 0 EFADHO C[C@H](N)CC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423225904 476968992 /nfs/dbraw/zinc/96/89/92/476968992.db2.gz OROCTVZTAPAJSY-RYUDHWBXSA-N 1 3 346.256 2.939 20 0 EFADHO C[C@H]([NH3+])CCN[C@@H](C)CCc1ccc(I)cc1 ZINC000423225904 476968995 /nfs/dbraw/zinc/96/89/95/476968995.db2.gz OROCTVZTAPAJSY-RYUDHWBXSA-N 1 3 346.256 2.939 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000415918655 476969169 /nfs/dbraw/zinc/96/91/69/476969169.db2.gz LMTQDPSFGFCPCO-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431057733 476969333 /nfs/dbraw/zinc/96/93/33/476969333.db2.gz PCWGNDBJDFDNQP-SOLBZPMBSA-N 1 3 331.504 2.602 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000431057733 476969339 /nfs/dbraw/zinc/96/93/39/476969339.db2.gz PCWGNDBJDFDNQP-SOLBZPMBSA-N 1 3 331.504 2.602 20 0 EFADHO O=C(C1CC[NH2+]CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370762853 476973307 /nfs/dbraw/zinc/97/33/07/476973307.db2.gz BYSOSPRKGDPDTO-OAQYLSRUSA-N 1 3 341.499 2.501 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C[NH3+])C1CCCCC1 ZINC000423271828 476980370 /nfs/dbraw/zinc/98/03/70/476980370.db2.gz YFQIUXYHSWFNNN-YOEHRIQHSA-N 1 3 333.476 2.910 20 0 EFADHO O=C1O[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742019 476982434 /nfs/dbraw/zinc/98/24/34/476982434.db2.gz GHPIZOGVDQXMDT-QUCCMNQESA-N 1 3 340.467 2.680 20 0 EFADHO O=C1O[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742019 476982439 /nfs/dbraw/zinc/98/24/39/476982439.db2.gz GHPIZOGVDQXMDT-QUCCMNQESA-N 1 3 340.467 2.680 20 0 EFADHO O=C1O[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742011 476982827 /nfs/dbraw/zinc/98/28/27/476982827.db2.gz GHPIZOGVDQXMDT-AZUAARDMSA-N 1 3 340.467 2.680 20 0 EFADHO O=C1O[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742011 476982832 /nfs/dbraw/zinc/98/28/32/476982832.db2.gz GHPIZOGVDQXMDT-AZUAARDMSA-N 1 3 340.467 2.680 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[C@H](C)CCN2)cc1 ZINC000423306188 476988484 /nfs/dbraw/zinc/98/84/84/476988484.db2.gz SLABLEXOORLXLG-CRAIPNDOSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423321006 476994579 /nfs/dbraw/zinc/99/45/79/476994579.db2.gz GZVORPJPZLVCCH-YRNRMSPPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C3CCC3)cc2)C1 ZINC000423321006 476994582 /nfs/dbraw/zinc/99/45/82/476994582.db2.gz GZVORPJPZLVCCH-YRNRMSPPSA-N 1 3 343.515 2.908 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CC1(C[NH3+])CC1 ZINC000423327069 476996128 /nfs/dbraw/zinc/99/61/28/476996128.db2.gz LANWKTQNWOSCPP-SFHVURJKSA-N 1 3 343.515 2.705 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000423333747 476997215 /nfs/dbraw/zinc/99/72/15/476997215.db2.gz OKMYBNREVCUADL-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423333747 476997220 /nfs/dbraw/zinc/99/72/20/476997220.db2.gz OKMYBNREVCUADL-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](C)CCN2)CC1 ZINC000423335988 476997463 /nfs/dbraw/zinc/99/74/63/476997463.db2.gz QGRLSYYMRINKGD-FXAWDEMLSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000423333748 476998040 /nfs/dbraw/zinc/99/80/40/476998040.db2.gz OKMYBNREVCUADL-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000423333748 476998044 /nfs/dbraw/zinc/99/80/44/476998044.db2.gz OKMYBNREVCUADL-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)C[NH+]1CCCCC1 ZINC000423351730 477002206 /nfs/dbraw/zinc/00/22/06/477002206.db2.gz IWVMGDBRDZBGQN-WMZOPIPTSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(C(=O)CC1(C[NH3+])CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423351048 477002847 /nfs/dbraw/zinc/00/28/47/477002847.db2.gz HJAUBRJOONKOST-AEFFLSMTSA-N 1 3 329.488 2.799 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3NCCCC3(C)C)C2)CC1 ZINC000423354211 477003150 /nfs/dbraw/zinc/00/31/50/477003150.db2.gz FUVPTSYGSLCAGZ-ZWKOTPCHSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000423351851 477003400 /nfs/dbraw/zinc/00/34/00/477003400.db2.gz JCJMXLXPEKWECC-JSGCOSHPSA-N 1 3 339.867 2.607 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423353096 477003441 /nfs/dbraw/zinc/00/34/41/477003441.db2.gz AYUUNXNJGOIMCH-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423353096 477003447 /nfs/dbraw/zinc/00/34/47/477003447.db2.gz AYUUNXNJGOIMCH-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H](C)[NH3+] ZINC000423361850 477005495 /nfs/dbraw/zinc/00/54/95/477005495.db2.gz SFVNNRUZXDXTGQ-INMHGKMJSA-N 1 3 337.533 2.696 20 0 EFADHO Fc1ccc([C@H]2CCNC[C@H]2[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000423364047 477006185 /nfs/dbraw/zinc/00/61/85/477006185.db2.gz JHFXSSDOODXNKV-VQIMIIECSA-N 1 3 335.442 2.627 20 0 EFADHO Cc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000423370994 477007846 /nfs/dbraw/zinc/00/78/46/477007846.db2.gz ACHPMFCZQJOUAV-HOCLYGCPSA-N 1 3 329.410 2.790 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423372823 477008313 /nfs/dbraw/zinc/00/83/13/477008313.db2.gz BJYBZTWVCXSAFO-DLBZAZTESA-N 1 3 341.421 2.798 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423372955 477008476 /nfs/dbraw/zinc/00/84/76/477008476.db2.gz HKWHBLZKFCMCIC-MRXNPFEDSA-N 1 3 337.467 2.517 20 0 EFADHO C[C@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423372955 477008481 /nfs/dbraw/zinc/00/84/81/477008481.db2.gz HKWHBLZKFCMCIC-MRXNPFEDSA-N 1 3 337.467 2.517 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423372834 477008746 /nfs/dbraw/zinc/00/87/46/477008746.db2.gz BJYBZTWVCXSAFO-SJORKVTESA-N 1 3 341.421 2.798 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000423373490 477008992 /nfs/dbraw/zinc/00/89/92/477008992.db2.gz HPGYZHGDYYXNPW-YJBOKZPZSA-N 1 3 347.528 2.605 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000423377683 477010444 /nfs/dbraw/zinc/01/04/44/477010444.db2.gz WCPPLWDCIZRQNA-MGPHVCOZSA-N 1 3 335.442 2.625 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H](c1ccccc1)C1CC1)N1CC[NH2+]CC1 ZINC000423375184 477010679 /nfs/dbraw/zinc/01/06/79/477010679.db2.gz CXRKOOHSFGCIOT-HZPDHXFCSA-N 1 3 327.394 2.563 20 0 EFADHO CC(C)[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423373993 477010795 /nfs/dbraw/zinc/01/07/95/477010795.db2.gz CBCHFBHUGZGGHZ-HZPDHXFCSA-N 1 3 329.410 2.809 20 0 EFADHO CCc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423375959 477011045 /nfs/dbraw/zinc/01/10/45/477011045.db2.gz DLKLFYFHWFIQHU-RISCZKNCSA-N 1 3 335.439 2.797 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000423381408 477012608 /nfs/dbraw/zinc/01/26/08/477012608.db2.gz FNFZZBMJXJOSPN-JYBIWHBTSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423384751 477012780 /nfs/dbraw/zinc/01/27/80/477012780.db2.gz HYXFNQJFLTWWMU-KCXAZCMYSA-N 1 3 327.394 2.661 20 0 EFADHO CCC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423392276 477014195 /nfs/dbraw/zinc/01/41/95/477014195.db2.gz PYRRELOKLBHMID-JKSUJKDBSA-N 1 3 329.410 2.954 20 0 EFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423393743 477016087 /nfs/dbraw/zinc/01/60/87/477016087.db2.gz RGGOTSXWKGZYBT-LSDHHAIUSA-N 1 3 333.373 2.703 20 0 EFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423393740 477016264 /nfs/dbraw/zinc/01/62/64/477016264.db2.gz RGGOTSXWKGZYBT-CABCVRRESA-N 1 3 333.373 2.703 20 0 EFADHO COCC1(CN[C@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423397990 477017259 /nfs/dbraw/zinc/01/72/59/477017259.db2.gz CNRZLDXXYFTLBY-ZDUSSCGKSA-N 1 3 328.378 2.697 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447583931 477018080 /nfs/dbraw/zinc/01/80/80/477018080.db2.gz DHUFNPPYBPVBDE-MKXGPGLRSA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583931 477018085 /nfs/dbraw/zinc/01/80/85/477018085.db2.gz DHUFNPPYBPVBDE-MKXGPGLRSA-N 1 3 334.529 2.886 20 0 EFADHO C[NH+](C)CCOCCN[C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000447598194 477020190 /nfs/dbraw/zinc/02/01/90/477020190.db2.gz USHXEODXYBULBG-HNNXBMFYSA-N 1 3 332.366 2.740 20 0 EFADHO CCc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403685 477022043 /nfs/dbraw/zinc/02/20/43/477022043.db2.gz ZIDYQEHEBPJHKZ-CJNGLKHVSA-N 1 3 329.410 2.736 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000457445150 477022679 /nfs/dbraw/zinc/02/26/79/477022679.db2.gz CJLLBMZHTFBESL-KRWDZBQOSA-N 1 3 334.508 2.709 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)ccc1OCCN1CCCC1 ZINC000423415406 477026876 /nfs/dbraw/zinc/02/68/76/477026876.db2.gz OYHAAOXAZHGOLE-AEFFLSMTSA-N 1 3 345.487 2.796 20 0 EFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CCCN1 ZINC000423420966 477028690 /nfs/dbraw/zinc/02/86/90/477028690.db2.gz XJILPWIQGMNYES-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000423419538 477028791 /nfs/dbraw/zinc/02/87/91/477028791.db2.gz IZTWIURUXXDZJP-PBHICJAKSA-N 1 3 328.460 2.530 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423452544 477036798 /nfs/dbraw/zinc/03/67/98/477036798.db2.gz ZBFKAVYXFXJYRS-FUHWJXTLSA-N 1 3 331.504 2.903 20 0 EFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423448854 477037168 /nfs/dbraw/zinc/03/71/68/477037168.db2.gz FQUYNRVZBAUDTF-XZOAIXRZSA-N 1 3 335.879 2.637 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000416147967 477039435 /nfs/dbraw/zinc/03/94/35/477039435.db2.gz CDCDNCNXCRIZQN-IBGZPJMESA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000416147967 477039440 /nfs/dbraw/zinc/03/94/40/477039440.db2.gz CDCDNCNXCRIZQN-IBGZPJMESA-N 1 3 341.499 2.568 20 0 EFADHO CN(C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147247 477039917 /nfs/dbraw/zinc/03/99/17/477039917.db2.gz AQFYFKKQBQFSPK-HKUYNNGSSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147247 477039921 /nfs/dbraw/zinc/03/99/21/477039921.db2.gz AQFYFKKQBQFSPK-HKUYNNGSSA-N 1 3 329.488 2.813 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000416152619 477042420 /nfs/dbraw/zinc/04/24/20/477042420.db2.gz XYRNPBLDCAWDTL-RBUKOAKNSA-N 1 3 329.488 2.766 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366502037 477042826 /nfs/dbraw/zinc/04/28/26/477042826.db2.gz WIMMRVJIULACPD-VGWMRTNUSA-N 1 3 341.471 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366502037 477042835 /nfs/dbraw/zinc/04/28/35/477042835.db2.gz WIMMRVJIULACPD-VGWMRTNUSA-N 1 3 341.471 2.550 20 0 EFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000423487894 477046028 /nfs/dbraw/zinc/04/60/28/477046028.db2.gz USDSHRZJHKOANT-YJBOKZPZSA-N 1 3 337.458 2.669 20 0 EFADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1CNCCCO1 ZINC000423489551 477046623 /nfs/dbraw/zinc/04/66/23/477046623.db2.gz GJGILNFVHGJPQZ-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000423489551 477046629 /nfs/dbraw/zinc/04/66/29/477046629.db2.gz GJGILNFVHGJPQZ-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@H]1C ZINC000423498855 477049083 /nfs/dbraw/zinc/04/90/83/477049083.db2.gz BLDALTFJUFODIF-RXABAKJHSA-N 1 3 330.472 2.700 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172389 477053182 /nfs/dbraw/zinc/05/31/82/477053182.db2.gz WFLGTLYILKEUQJ-QUCCMNQESA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172389 477053187 /nfs/dbraw/zinc/05/31/87/477053187.db2.gz WFLGTLYILKEUQJ-QUCCMNQESA-N 1 3 343.515 2.870 20 0 EFADHO C/C=C/COc1ccc(CC[C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423515464 477057182 /nfs/dbraw/zinc/05/71/82/477057182.db2.gz NHOFSSSISAXRQN-LADOFLMKSA-N 1 3 332.488 2.931 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)C2C[NH+](C3CCCCC3)C2)c1 ZINC000457505917 477058668 /nfs/dbraw/zinc/05/86/68/477058668.db2.gz NVBKPDKAMXJCHU-UHFFFAOYSA-N 1 3 345.487 2.830 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC000423528157 477063434 /nfs/dbraw/zinc/06/34/34/477063434.db2.gz NENSCIVRDDEPFB-KDXIVRHGSA-N 1 3 335.495 2.995 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000431635843 477066246 /nfs/dbraw/zinc/06/62/46/477066246.db2.gz MSIUUPPUPOWHIV-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO CCn1cc([C@@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000423548162 477069755 /nfs/dbraw/zinc/06/97/55/477069755.db2.gz DRKTZEFWVWUZTA-QGZVFWFLSA-N 1 3 341.503 2.547 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000431666269 477070102 /nfs/dbraw/zinc/07/01/02/477070102.db2.gz SHZNQLHECYEJHP-OWSLCNJRSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838391 477071459 /nfs/dbraw/zinc/07/14/59/477071459.db2.gz AHLBAQMRXLXVMK-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447838391 477071466 /nfs/dbraw/zinc/07/14/66/477071466.db2.gz AHLBAQMRXLXVMK-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1C[C@H](C)O ZINC000447838391 477071483 /nfs/dbraw/zinc/07/14/83/477071483.db2.gz AHLBAQMRXLXVMK-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1C[C@H](C)O ZINC000447838391 477071493 /nfs/dbraw/zinc/07/14/93/477071493.db2.gz AHLBAQMRXLXVMK-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO CN(C)[C@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000416220591 477076585 /nfs/dbraw/zinc/07/65/85/477076585.db2.gz JUKKSOFGNQPAMK-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO CSC1(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN(C)CC1 ZINC000416232347 477082338 /nfs/dbraw/zinc/08/23/38/477082338.db2.gz FJBBSKACOGCYLR-KRWDZBQOSA-N 1 3 349.544 2.623 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000431854894 477110018 /nfs/dbraw/zinc/11/00/18/477110018.db2.gz QGXQJVSVGDBKKE-CEXWTWQISA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000431854894 477110026 /nfs/dbraw/zinc/11/00/26/477110026.db2.gz QGXQJVSVGDBKKE-CEXWTWQISA-N 1 3 329.488 2.622 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000448001140 477113979 /nfs/dbraw/zinc/11/39/79/477113979.db2.gz PNZQYQFDMBPIRC-INIZCTEOSA-N 1 3 338.540 2.528 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448030819 477119651 /nfs/dbraw/zinc/11/96/51/477119651.db2.gz SVXFJJSAXKJQLX-CEXWTWQISA-N 1 3 339.568 2.833 20 0 EFADHO C[C@@H](CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423712769 477120165 /nfs/dbraw/zinc/12/01/65/477120165.db2.gz OURGYHBXDGXCKW-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035541 477120627 /nfs/dbraw/zinc/12/06/27/477120627.db2.gz QWVMQDPTJWZJSO-MSOLQXFVSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035541 477120635 /nfs/dbraw/zinc/12/06/35/477120635.db2.gz QWVMQDPTJWZJSO-MSOLQXFVSA-N 1 3 346.519 2.709 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448043786 477121027 /nfs/dbraw/zinc/12/10/27/477121027.db2.gz PEKLIBFDCVTHTM-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035543 477121129 /nfs/dbraw/zinc/12/11/29/477121129.db2.gz QWVMQDPTJWZJSO-ROUUACIJSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000448035543 477121134 /nfs/dbraw/zinc/12/11/34/477121134.db2.gz QWVMQDPTJWZJSO-ROUUACIJSA-N 1 3 346.519 2.709 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423734037 477125421 /nfs/dbraw/zinc/12/54/21/477125421.db2.gz AMXZNHQYUBVTNF-SFHVURJKSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411144761 477126783 /nfs/dbraw/zinc/12/67/83/477126783.db2.gz QHNMEWHBIIPKGA-FQEVSTJZSA-N 1 3 331.504 2.962 20 0 EFADHO C[C@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCC[NH2+]1 ZINC000423735162 477127190 /nfs/dbraw/zinc/12/71/90/477127190.db2.gz AGCSKXNUHSGRHA-OAQYLSRUSA-N 1 3 343.515 2.686 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000423739332 477128416 /nfs/dbraw/zinc/12/84/16/477128416.db2.gz VWNUGZSDNLNSQJ-MRXNPFEDSA-N 1 3 325.456 2.910 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423741263 477128716 /nfs/dbraw/zinc/12/87/16/477128716.db2.gz HJCUTLAMDQNPTQ-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423740669 477129114 /nfs/dbraw/zinc/12/91/14/477129114.db2.gz JCNPEIZUYIFADG-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423748168 477131446 /nfs/dbraw/zinc/13/14/46/477131446.db2.gz ANENUVVYPBHLKL-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423751608 477133165 /nfs/dbraw/zinc/13/31/65/477133165.db2.gz VFNCJBQFSNKVIY-HXUWFJFHSA-N 1 3 343.515 2.686 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423756180 477135038 /nfs/dbraw/zinc/13/50/38/477135038.db2.gz GEDRKZBTJODAOI-WMZOPIPTSA-N 1 3 335.467 2.624 20 0 EFADHO CC[C@@H]1CCCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022305 477137014 /nfs/dbraw/zinc/13/70/14/477137014.db2.gz SHEQEBNWOIRSSO-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000423769831 477138407 /nfs/dbraw/zinc/13/84/07/477138407.db2.gz FPWMKOJDEABIBR-JKSUJKDBSA-N 1 3 337.533 2.664 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000423769828 477138721 /nfs/dbraw/zinc/13/87/21/477138721.db2.gz FPWMKOJDEABIBR-CVEARBPZSA-N 1 3 337.533 2.664 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000423769829 477138934 /nfs/dbraw/zinc/13/89/34/477138934.db2.gz FPWMKOJDEABIBR-HOTGVXAUSA-N 1 3 337.533 2.664 20 0 EFADHO CC(C)CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCN(C)CC1 ZINC000423770302 477139552 /nfs/dbraw/zinc/13/95/52/477139552.db2.gz ZXHWZLOJKODYOM-GIOYIUAESA-N 1 3 335.536 2.719 20 0 EFADHO CN(C)C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423772518 477139768 /nfs/dbraw/zinc/13/97/68/477139768.db2.gz LHDAMPMRMRMCSH-QGZVFWFLSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000423780718 477140746 /nfs/dbraw/zinc/14/07/46/477140746.db2.gz GNRGNYGTKPTAOX-HNNXBMFYSA-N 1 3 338.455 2.748 20 0 EFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(N)[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000423780761 477141039 /nfs/dbraw/zinc/14/10/39/477141039.db2.gz GTEGCKFJUWXOLL-FUHIMQAGSA-N 1 3 345.487 2.528 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000457699092 477150806 /nfs/dbraw/zinc/15/08/06/477150806.db2.gz SCEGXLRRUUSSFH-ROUUACIJSA-N 1 3 338.540 2.621 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074590 477160055 /nfs/dbraw/zinc/16/00/55/477160055.db2.gz URZHZYIIOKDHIP-VAMGGRTRSA-N 1 3 343.515 2.936 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074590 477160066 /nfs/dbraw/zinc/16/00/66/477160066.db2.gz URZHZYIIOKDHIP-VAMGGRTRSA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457726760 477165404 /nfs/dbraw/zinc/16/54/04/477165404.db2.gz FOVBTEVGBBKJBA-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000457726760 477165410 /nfs/dbraw/zinc/16/54/10/477165410.db2.gz FOVBTEVGBBKJBA-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423835382 477175868 /nfs/dbraw/zinc/17/58/68/477175868.db2.gz DLGKMXMQBFIMDJ-RBUKOAKNSA-N 1 3 344.503 2.544 20 0 EFADHO OCC[NH+]1CCC(CNCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432239242 477183727 /nfs/dbraw/zinc/18/37/27/477183727.db2.gz ZLZMNMGIUQBEET-UHFFFAOYSA-N 1 3 335.250 2.926 20 0 EFADHO CC[C@]1(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)CCC[NH2+]1 ZINC000423854109 477185619 /nfs/dbraw/zinc/18/56/19/477185619.db2.gz VAEYXYIKEJAGAA-HXUWFJFHSA-N 1 3 344.503 2.688 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423856859 477188772 /nfs/dbraw/zinc/18/87/72/477188772.db2.gz ZZBSUUXURZOPQM-BHIYHBOVSA-N 1 3 331.504 2.921 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000453197049 477188969 /nfs/dbraw/zinc/18/89/69/477188969.db2.gz MVFAQCZKGOMHCE-UXHICEINSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000453197049 477188975 /nfs/dbraw/zinc/18/89/75/477188975.db2.gz MVFAQCZKGOMHCE-UXHICEINSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000453197048 477189091 /nfs/dbraw/zinc/18/90/91/477189091.db2.gz MVFAQCZKGOMHCE-PMACEKPBSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000453197048 477189095 /nfs/dbraw/zinc/18/90/95/477189095.db2.gz MVFAQCZKGOMHCE-PMACEKPBSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000453197051 477189116 /nfs/dbraw/zinc/18/91/16/477189116.db2.gz MVFAQCZKGOMHCE-WOJBJXKFSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccncc1 ZINC000453197051 477189123 /nfs/dbraw/zinc/18/91/23/477189123.db2.gz MVFAQCZKGOMHCE-WOJBJXKFSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000366792809 477189941 /nfs/dbraw/zinc/18/99/41/477189941.db2.gz NMJYRNMSFSHTPF-DYXWJJEUSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000366792812 477190053 /nfs/dbraw/zinc/19/00/53/477190053.db2.gz NMJYRNMSFSHTPF-SVFBPWRDSA-N 1 3 345.531 2.912 20 0 EFADHO N[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000423893039 477203902 /nfs/dbraw/zinc/20/39/02/477203902.db2.gz COZSFWJDRQLTQP-UHOSZYNNSA-N 1 3 327.472 2.552 20 0 EFADHO N[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000423893039 477203905 /nfs/dbraw/zinc/20/39/05/477203905.db2.gz COZSFWJDRQLTQP-UHOSZYNNSA-N 1 3 327.472 2.552 20 0 EFADHO Cc1nccn1CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000371259351 477204181 /nfs/dbraw/zinc/20/41/81/477204181.db2.gz SLPATFDLACKROH-HDICACEKSA-N 1 3 348.535 2.793 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@]2(C)CCCc3ccccc32)CC1 ZINC000411369695 477207353 /nfs/dbraw/zinc/20/73/53/477207353.db2.gz QSQXRQJPACEVDD-NRFANRHFSA-N 1 3 343.515 2.817 20 0 EFADHO N[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903626 477208021 /nfs/dbraw/zinc/20/80/21/477208021.db2.gz NGJQNCBHYGOJFC-AABGKKOBSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903626 477208027 /nfs/dbraw/zinc/20/80/27/477208027.db2.gz NGJQNCBHYGOJFC-AABGKKOBSA-N 1 3 341.499 2.627 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453347867 477210299 /nfs/dbraw/zinc/21/02/99/477210299.db2.gz FYOPQSGXXORXFF-ZXXIGWHRSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453347867 477210304 /nfs/dbraw/zinc/21/03/04/477210304.db2.gz FYOPQSGXXORXFF-ZXXIGWHRSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453347856 477210733 /nfs/dbraw/zinc/21/07/33/477210733.db2.gz FYOPQSGXXORXFF-LVZMMCSGSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453347856 477210742 /nfs/dbraw/zinc/21/07/42/477210742.db2.gz FYOPQSGXXORXFF-LVZMMCSGSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453347864 477210792 /nfs/dbraw/zinc/21/07/92/477210792.db2.gz FYOPQSGXXORXFF-PNVOZDDCSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000453347864 477210794 /nfs/dbraw/zinc/21/07/94/477210794.db2.gz FYOPQSGXXORXFF-PNVOZDDCSA-N 1 3 334.508 2.699 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907614 477212212 /nfs/dbraw/zinc/21/22/12/477212212.db2.gz RMGYBELXJZSBHD-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907614 477212216 /nfs/dbraw/zinc/21/22/16/477212216.db2.gz RMGYBELXJZSBHD-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000453358264 477212832 /nfs/dbraw/zinc/21/28/32/477212832.db2.gz SIHKXHNRGAUUEJ-HOTGVXAUSA-N 1 3 330.476 2.642 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910078 477213393 /nfs/dbraw/zinc/21/33/93/477213393.db2.gz UOLHKQNZGOOEAC-UHOSZYNNSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910078 477213401 /nfs/dbraw/zinc/21/34/01/477213401.db2.gz UOLHKQNZGOOEAC-UHOSZYNNSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423910132 477213835 /nfs/dbraw/zinc/21/38/35/477213835.db2.gz UUCMJDVANCOPRO-NBYUQASBSA-N 1 3 343.515 2.873 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423910132 477213839 /nfs/dbraw/zinc/21/38/39/477213839.db2.gz UUCMJDVANCOPRO-NBYUQASBSA-N 1 3 343.515 2.873 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453371530 477215991 /nfs/dbraw/zinc/21/59/91/477215991.db2.gz NOCZNHPZIBMZAK-AITUJVMLSA-N 1 3 329.488 2.544 20 0 EFADHO CNC(=O)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453371530 477215993 /nfs/dbraw/zinc/21/59/93/477215993.db2.gz NOCZNHPZIBMZAK-AITUJVMLSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453374474 477216088 /nfs/dbraw/zinc/21/60/88/477216088.db2.gz ZJMQFOXONWPXQM-MBPVOVBZSA-N 1 3 338.499 2.851 20 0 EFADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453383435 477219079 /nfs/dbraw/zinc/21/90/79/477219079.db2.gz SPTQCUOJQHOOFY-OJAHFUOMSA-N 1 3 343.515 2.791 20 0 EFADHO CC(CCN1CCOCC12CCC2)CC[N@@H+]1CCOCC12CCC2 ZINC000411399512 477220455 /nfs/dbraw/zinc/22/04/55/477220455.db2.gz LSXPJVGIKKOJGV-UHFFFAOYSA-N 1 3 336.520 2.913 20 0 EFADHO CC(CCN1CCOCC12CCC2)CC[N@H+]1CCOCC12CCC2 ZINC000411399512 477220461 /nfs/dbraw/zinc/22/04/61/477220461.db2.gz LSXPJVGIKKOJGV-UHFFFAOYSA-N 1 3 336.520 2.913 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC2(C)C)[C@@H](C)C1 ZINC000453398230 477221765 /nfs/dbraw/zinc/22/17/65/477221765.db2.gz MPIJKQIUDXXQAR-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO OCCOC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411406576 477222614 /nfs/dbraw/zinc/22/26/14/477222614.db2.gz JNPRKBXMBZNXMW-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC ZINC000453415796 477226529 /nfs/dbraw/zinc/22/65/29/477226529.db2.gz UCFFAERYDWHYFN-FUMNGEBKSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(=O)N1 ZINC000453424298 477228064 /nfs/dbraw/zinc/22/80/64/477228064.db2.gz NRPFOLQKJIIRDA-CTAFRAEOSA-N 1 3 341.499 2.545 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](C)C(C)(C)c2ccccc2)CC1 ZINC000411452138 477241175 /nfs/dbraw/zinc/24/11/75/477241175.db2.gz IFSBAMJEJODCKE-MRXNPFEDSA-N 1 3 331.504 2.543 20 0 EFADHO CC[NH+]1CCC(NC(=O)CNC2(c3ccccc3)CCCC2)CC1 ZINC000411458618 477242039 /nfs/dbraw/zinc/24/20/39/477242039.db2.gz JUJXPHQTFRKMSA-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423978847 477242601 /nfs/dbraw/zinc/24/26/01/477242601.db2.gz QWXMJEHPPLDLGK-VQTJNVASSA-N 1 3 341.499 2.887 20 0 EFADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000411463818 477244391 /nfs/dbraw/zinc/24/43/91/477244391.db2.gz SSWJNWZEWVQVGU-QGZVFWFLSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H](C[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333047 477248576 /nfs/dbraw/zinc/24/85/76/477248576.db2.gz CAEDNFPERKUGSK-ZJIFWQFVSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333047 477248581 /nfs/dbraw/zinc/24/85/81/477248581.db2.gz CAEDNFPERKUGSK-ZJIFWQFVSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333047 477248587 /nfs/dbraw/zinc/24/85/87/477248587.db2.gz CAEDNFPERKUGSK-ZJIFWQFVSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333044 477248782 /nfs/dbraw/zinc/24/87/82/477248782.db2.gz CAEDNFPERKUGSK-FZKCQIBNSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333044 477248787 /nfs/dbraw/zinc/24/87/87/477248787.db2.gz CAEDNFPERKUGSK-FZKCQIBNSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333044 477248788 /nfs/dbraw/zinc/24/87/88/477248788.db2.gz CAEDNFPERKUGSK-FZKCQIBNSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000453623615 477256850 /nfs/dbraw/zinc/25/68/50/477256850.db2.gz BTTQRCWDUASGEK-APWZRJJASA-N 1 3 331.504 2.874 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000424011035 477259461 /nfs/dbraw/zinc/25/94/61/477259461.db2.gz YKVJPLPOSCXEHE-YJBOKZPZSA-N 1 3 329.488 2.728 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411513998 477262836 /nfs/dbraw/zinc/26/28/36/477262836.db2.gz QKLMHPOAFUYDGM-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)N1CCCCC1 ZINC000424023078 477263944 /nfs/dbraw/zinc/26/39/44/477263944.db2.gz AHKUCUIVMKNQAQ-QXAKKESOSA-N 1 3 347.478 2.589 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424031798 477267288 /nfs/dbraw/zinc/26/72/88/477267288.db2.gz BRVQMJZMZBLGGW-RJFAQORQSA-N 1 3 333.520 2.554 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411553032 477273107 /nfs/dbraw/zinc/27/31/07/477273107.db2.gz HSUSNRQIJPZHJC-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411553032 477273112 /nfs/dbraw/zinc/27/31/12/477273112.db2.gz HSUSNRQIJPZHJC-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)[NH+](C)C ZINC000454359277 477285411 /nfs/dbraw/zinc/28/54/11/477285411.db2.gz GSEMTANZBRMAPO-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO COCCO[C@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411603123 477291303 /nfs/dbraw/zinc/29/13/03/477291303.db2.gz LPELNKQJUJPUSJ-FQEVSTJZSA-N 1 3 332.488 2.910 20 0 EFADHO CC(C)OC[C@@H](CO)N(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634179 477301273 /nfs/dbraw/zinc/30/12/73/477301273.db2.gz KTAMAMPLVUKONJ-HXUWFJFHSA-N 1 3 334.504 2.890 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000416791537 477311873 /nfs/dbraw/zinc/31/18/73/477311873.db2.gz JUUJMNZODBJRTE-KRWDZBQOSA-N 1 3 346.519 2.857 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC000367044834 477313381 /nfs/dbraw/zinc/31/33/81/477313381.db2.gz XVOPFPDIZDKEDO-OAQYLSRUSA-N 1 3 345.531 2.946 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC000367044834 477313388 /nfs/dbraw/zinc/31/33/88/477313388.db2.gz XVOPFPDIZDKEDO-OAQYLSRUSA-N 1 3 345.531 2.946 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000416805133 477316620 /nfs/dbraw/zinc/31/66/20/477316620.db2.gz KNBNLANKVIADSZ-IBGZPJMESA-N 1 3 346.519 2.840 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367057840 477320898 /nfs/dbraw/zinc/32/08/98/477320898.db2.gz NOTRBOAXNNCVQQ-AZUAARDMSA-N 1 3 330.520 2.725 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458213729 477323967 /nfs/dbraw/zinc/32/39/67/477323967.db2.gz CISSEXWCTIHRET-MRXNPFEDSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458213729 477323976 /nfs/dbraw/zinc/32/39/76/477323976.db2.gz CISSEXWCTIHRET-MRXNPFEDSA-N 1 3 337.533 2.903 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000416830837 477327057 /nfs/dbraw/zinc/32/70/57/477327057.db2.gz APRNAOXOJMHLPX-CRAIPNDOSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000416830842 477327482 /nfs/dbraw/zinc/32/74/82/477327482.db2.gz APRNAOXOJMHLPX-YJBOKZPZSA-N 1 3 334.508 2.668 20 0 EFADHO COC[C@@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCCO1 ZINC000411683551 477327719 /nfs/dbraw/zinc/32/77/19/477327719.db2.gz ZMLYTEWCOCZXGC-WOJBJXKFSA-N 1 3 332.488 2.956 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000416836558 477329627 /nfs/dbraw/zinc/32/96/27/477329627.db2.gz GPROMQZGHOKXAM-LZQZEXGQSA-N 1 3 346.519 2.763 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000416836614 477329747 /nfs/dbraw/zinc/32/97/47/477329747.db2.gz GTDZHAWZDDJAPB-UYAOXDASSA-N 1 3 346.519 2.758 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000416836572 477329789 /nfs/dbraw/zinc/32/97/89/477329789.db2.gz GSJCTPKZNZZPJM-MOPGFXCFSA-N 1 3 346.519 2.683 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000434355221 477332653 /nfs/dbraw/zinc/33/26/53/477332653.db2.gz LWHRKISSLANBOE-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434330709 477334183 /nfs/dbraw/zinc/33/41/83/477334183.db2.gz QSJPGGJWNSKCAQ-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H](C[NH2+]C)C1)c1ccccc1 ZINC000416846133 477335285 /nfs/dbraw/zinc/33/52/85/477335285.db2.gz TUCKBPQWPDLXFM-HKUYNNGSSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@H](CC[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416853389 477338903 /nfs/dbraw/zinc/33/89/03/477338903.db2.gz UGXKFUBFEQNJFM-CABCVRRESA-N 1 3 338.521 2.558 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435612147 477348476 /nfs/dbraw/zinc/34/84/76/477348476.db2.gz FCOCSCRJAXZQLW-IEBWSBKVSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]1CN[C@@H](C)CN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416882959 477352238 /nfs/dbraw/zinc/35/22/38/477352238.db2.gz ATTLKEZMYPMHCV-DLBZAZTESA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285572 477354964 /nfs/dbraw/zinc/35/49/64/477354964.db2.gz FXCVTHVWQBRAGO-FXAWDEMLSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N(Cc1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424285180 477355607 /nfs/dbraw/zinc/35/56/07/477355607.db2.gz FKORTUOQDMEGEJ-QGZVFWFLSA-N 1 3 341.499 2.642 20 0 EFADHO CSc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424284731 477356004 /nfs/dbraw/zinc/35/60/04/477356004.db2.gz DWMQEDQTSUUEQU-AWEZNQCLSA-N 1 3 333.501 2.811 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295170 477359917 /nfs/dbraw/zinc/35/99/17/477359917.db2.gz QULNKEZDSFWXFP-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000411770194 477360044 /nfs/dbraw/zinc/36/00/44/477360044.db2.gz LMIAXWZBJGUFDB-RTWAWAEBSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)Nc1ccc3c(c1)CCC3)CC[NH2+]CC2 ZINC000424293710 477360626 /nfs/dbraw/zinc/36/06/26/477360626.db2.gz PQTSVCNIWVTZKY-OAHLLOKOSA-N 1 3 327.472 2.578 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424301181 477363235 /nfs/dbraw/zinc/36/32/35/477363235.db2.gz XJTZBUXYIJJOHP-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1Cl ZINC000424300542 477363441 /nfs/dbraw/zinc/36/34/41/477363441.db2.gz WPLQJMRAEZVPNF-LSDHHAIUSA-N 1 3 349.906 2.981 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@H+](C[C@H](CN)c2ccc(F)cc2)C1 ZINC000424305289 477364653 /nfs/dbraw/zinc/36/46/53/477364653.db2.gz RZVKASOPBMLFLB-WMZOPIPTSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](CN)c2ccc(F)cc2)C1 ZINC000424305289 477364659 /nfs/dbraw/zinc/36/46/59/477364659.db2.gz RZVKASOPBMLFLB-WMZOPIPTSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@H]1CCCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424305289 477364666 /nfs/dbraw/zinc/36/46/66/477364666.db2.gz RZVKASOPBMLFLB-WMZOPIPTSA-N 1 3 330.451 2.964 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000376504780 477368082 /nfs/dbraw/zinc/36/80/82/477368082.db2.gz FGZHOAOBLKUDNR-YESZJQIVSA-N 1 3 340.508 2.539 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370013 477374175 /nfs/dbraw/zinc/37/41/75/477374175.db2.gz FYLGDDZVJVIVBT-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370013 477374182 /nfs/dbraw/zinc/37/41/82/477374182.db2.gz FYLGDDZVJVIVBT-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CC(CCN[C@@H](C)c1ccn(C)n1)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000411820392 477381099 /nfs/dbraw/zinc/38/10/99/477381099.db2.gz MQXKTLRRVHBKPC-HOTGVXAUSA-N 1 3 332.496 2.571 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCc2nccn2C)cc1 ZINC000424376819 477382504 /nfs/dbraw/zinc/38/25/04/477382504.db2.gz PURQATSRFKHOEI-BMGDILEWSA-N 1 3 328.460 2.920 20 0 EFADHO COc1cc2c(c(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000424388569 477386854 /nfs/dbraw/zinc/38/68/54/477386854.db2.gz ZCVSZVJMWVUMDZ-GJZGRUSLSA-N 1 3 330.472 2.983 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc2c(c1)CNC2)CC(C)C ZINC000416961075 477389572 /nfs/dbraw/zinc/38/95/72/477389572.db2.gz RLNMXPRVEFJNNW-LJQANCHMSA-N 1 3 346.519 2.846 20 0 EFADHO C[NH+]1CCC2(CCCN(C[C@H]3CN(c4ccccc4)C(=O)O3)C2)CC1 ZINC000367199738 477390061 /nfs/dbraw/zinc/39/00/61/477390061.db2.gz LQUBXZHCOMBNHG-SFHVURJKSA-N 1 3 343.471 2.820 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201099 477390098 /nfs/dbraw/zinc/39/00/98/477390098.db2.gz RFYNBQPVPYLRPC-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1oc(C(=O)OC)cc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199906 477390564 /nfs/dbraw/zinc/39/05/64/477390564.db2.gz MHSIPTWLHCAPQX-UHFFFAOYSA-N 1 3 334.460 2.936 20 0 EFADHO COc1ccc(-n2cc(CN(C)CC3CC[NH+](C)CC3)cn2)cc1 ZINC000449023037 477395643 /nfs/dbraw/zinc/39/56/43/477395643.db2.gz MTTPRIHAFSFFTE-UHFFFAOYSA-N 1 3 328.460 2.655 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416975430 477399670 /nfs/dbraw/zinc/39/96/70/477399670.db2.gz MSUANGXPLGCFDY-QGZVFWFLSA-N 1 3 346.519 2.510 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000411992200 477403742 /nfs/dbraw/zinc/40/37/42/477403742.db2.gz ZVWSRHWWQAOIGC-INIZCTEOSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000411992200 477403748 /nfs/dbraw/zinc/40/37/48/477403748.db2.gz ZVWSRHWWQAOIGC-INIZCTEOSA-N 1 3 329.488 2.885 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000424453117 477413981 /nfs/dbraw/zinc/41/39/81/477413981.db2.gz JSZKFYOHPTXUMR-KURKYZTESA-N 1 3 332.492 2.639 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424457380 477414944 /nfs/dbraw/zinc/41/49/44/477414944.db2.gz ZHTAQAAOGRFOET-OAGGEKHMSA-N 1 3 338.521 2.700 20 0 EFADHO C[C@@H](C[NH2+]CCCN1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449067022 477420779 /nfs/dbraw/zinc/42/07/79/477420779.db2.gz HPAOWWOTHDZFCO-INIZCTEOSA-N 1 3 338.517 2.659 20 0 EFADHO C[C@@H](CNCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449067022 477420783 /nfs/dbraw/zinc/42/07/83/477420783.db2.gz HPAOWWOTHDZFCO-INIZCTEOSA-N 1 3 338.517 2.659 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417012967 477422979 /nfs/dbraw/zinc/42/29/79/477422979.db2.gz BHEWGTYXAKKZDE-QGZVFWFLSA-N 1 3 332.492 2.640 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449078707 477425032 /nfs/dbraw/zinc/42/50/32/477425032.db2.gz MQIJUYCUDXENRK-QGZVFWFLSA-N 1 3 341.499 2.964 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000412414241 477425859 /nfs/dbraw/zinc/42/58/59/477425859.db2.gz HFQJOLJCYJMVQB-INIZCTEOSA-N 1 3 325.522 2.805 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCCC2 ZINC000367279502 477428193 /nfs/dbraw/zinc/42/81/93/477428193.db2.gz WUYIXGGHGWULOW-RBUKOAKNSA-N 1 3 347.503 2.849 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417031990 477433083 /nfs/dbraw/zinc/43/30/83/477433083.db2.gz QLYZEMRKVFFDHD-FUHWJXTLSA-N 1 3 332.492 2.640 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000371682010 477442113 /nfs/dbraw/zinc/44/21/13/477442113.db2.gz VNWYGEQOAVFYJY-VAMGGRTRSA-N 1 3 341.499 2.606 20 0 EFADHO CC1CCN([C@H](CNC(=O)N2CCC([NH3+])CC2)c2ccccc2)CC1 ZINC000417208400 477447152 /nfs/dbraw/zinc/44/71/52/477447152.db2.gz AUVIEALVTFSFBU-LJQANCHMSA-N 1 3 344.503 2.592 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449119480 477447561 /nfs/dbraw/zinc/44/75/61/477447561.db2.gz ZMWFDIJPTBQENM-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376658043 477447603 /nfs/dbraw/zinc/44/76/03/477447603.db2.gz ILVZVLMXNZCETM-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000376658043 477447611 /nfs/dbraw/zinc/44/76/11/477447611.db2.gz ILVZVLMXNZCETM-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CC[C@@]2(C1)CCCN(C)C2)C(C)C ZINC000458496159 477450442 /nfs/dbraw/zinc/45/04/42/477450442.db2.gz JHWWGWUILAGTSQ-IBGZPJMESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000458497165 477451214 /nfs/dbraw/zinc/45/12/14/477451214.db2.gz NRLDKHLGFYMOBU-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+](C)C ZINC000458508334 477456447 /nfs/dbraw/zinc/45/64/47/477456447.db2.gz OVFPIQINPLUPIW-WMZOPIPTSA-N 1 3 346.519 2.536 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436313276 477461009 /nfs/dbraw/zinc/46/10/09/477461009.db2.gz LPCAWOUGQQPPRN-OALUTQOASA-N 1 3 331.435 2.774 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000449159933 477463286 /nfs/dbraw/zinc/46/32/86/477463286.db2.gz JVAGCPCPANEMTA-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000418358475 477472828 /nfs/dbraw/zinc/47/28/28/477472828.db2.gz RMHXQXHQDPKDJF-RTBURBONSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000418358475 477472831 /nfs/dbraw/zinc/47/28/31/477472831.db2.gz RMHXQXHQDPKDJF-RTBURBONSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418448846 477475188 /nfs/dbraw/zinc/47/51/88/477475188.db2.gz SIVZLAPKXYTJKD-JKSUJKDBSA-N 1 3 340.899 2.615 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000418505034 477476606 /nfs/dbraw/zinc/47/66/06/477476606.db2.gz BTOLCAZKCRESEV-AEFFLSMTSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000367382046 477482892 /nfs/dbraw/zinc/48/28/92/477482892.db2.gz OLFFQADKSZCDEI-WBVHZDCISA-N 1 3 337.508 2.874 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCN(C2CC2)C1 ZINC000418677533 477482958 /nfs/dbraw/zinc/48/29/58/477482958.db2.gz RXHZVINKOIAZRK-APWZRJJASA-N 1 3 344.503 2.592 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449218702 477492487 /nfs/dbraw/zinc/49/24/87/477492487.db2.gz AEURDXWZYQFXLQ-HNNXBMFYSA-N 1 3 341.421 2.707 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2coc3ccccc23)CC1 ZINC000449219793 477493295 /nfs/dbraw/zinc/49/32/95/477493295.db2.gz ODAZGMMFCVNOKO-KRWDZBQOSA-N 1 3 329.488 2.981 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000419362218 477499943 /nfs/dbraw/zinc/49/99/43/477499943.db2.gz BKRZVHPGXJNBOK-SFHVURJKSA-N 1 3 325.566 2.620 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000419362218 477499949 /nfs/dbraw/zinc/49/99/49/477499949.db2.gz BKRZVHPGXJNBOK-SFHVURJKSA-N 1 3 325.566 2.620 20 0 EFADHO Cc1cccc(CC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000449239079 477500697 /nfs/dbraw/zinc/50/06/97/477500697.db2.gz UQOQIVRMFCGPQO-UHFFFAOYSA-N 1 3 329.532 2.887 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458623265 477513750 /nfs/dbraw/zinc/51/37/50/477513750.db2.gz QJGJVCFCLDVBKI-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000367467765 477529858 /nfs/dbraw/zinc/52/98/58/477529858.db2.gz VPEKBRULESYANX-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc(C)cc1OC ZINC000449329414 477549060 /nfs/dbraw/zinc/54/90/60/477549060.db2.gz ODDHCFIGTPCDRZ-UHFFFAOYSA-N 1 3 333.520 2.853 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc(C)cc1OC ZINC000449329414 477549065 /nfs/dbraw/zinc/54/90/65/477549065.db2.gz ODDHCFIGTPCDRZ-UHFFFAOYSA-N 1 3 333.520 2.853 20 0 EFADHO COc1cc2nccc(NC[C@]3([NH+](C)C)CCSC3)c2cc1OC ZINC000413169483 477551409 /nfs/dbraw/zinc/55/14/09/477551409.db2.gz KZGRIMFDJSOICF-GOSISDBHSA-N 1 3 347.484 2.523 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339741 477554791 /nfs/dbraw/zinc/55/47/91/477554791.db2.gz VABXCQNEPYUSSL-JKSUJKDBSA-N 1 3 340.533 2.904 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339741 477554793 /nfs/dbraw/zinc/55/47/93/477554793.db2.gz VABXCQNEPYUSSL-JKSUJKDBSA-N 1 3 340.533 2.904 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C)N(C)C ZINC000458755685 477577442 /nfs/dbraw/zinc/57/74/42/477577442.db2.gz DISFDJFAQRTSKK-WBVHZDCISA-N 1 3 334.508 2.626 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000458782069 477594171 /nfs/dbraw/zinc/59/41/71/477594171.db2.gz WMYXVYUTOUKKSH-AKBNIOSXSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000458782069 477594178 /nfs/dbraw/zinc/59/41/78/477594178.db2.gz WMYXVYUTOUKKSH-AKBNIOSXSA-N 1 3 348.491 2.633 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](N[C@H](c3ncc[nH]3)C3CCCCC3)C2)CC1 ZINC000367611205 477599185 /nfs/dbraw/zinc/59/91/85/477599185.db2.gz AVTDMQWTBRTJFY-HKUYNNGSSA-N 1 3 345.535 2.789 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](N[C@H](c3ncc[nH]3)C3CCCCC3)C2)CC1 ZINC000367611207 477599350 /nfs/dbraw/zinc/59/93/50/477599350.db2.gz AVTDMQWTBRTJFY-MJGOQNOKSA-N 1 3 345.535 2.789 20 0 EFADHO CN(CCc1ccc(F)c(F)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367622443 477606974 /nfs/dbraw/zinc/60/69/74/477606974.db2.gz HQEKWOYDUISPAI-KRWDZBQOSA-N 1 3 337.458 2.608 20 0 EFADHO CN(CCc1ccc(F)c(F)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367622443 477606981 /nfs/dbraw/zinc/60/69/81/477606981.db2.gz HQEKWOYDUISPAI-KRWDZBQOSA-N 1 3 337.458 2.608 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCCC[NH+]1CCCC1 ZINC000458840299 477622059 /nfs/dbraw/zinc/62/20/59/477622059.db2.gz DQFIIRAKEBBDGP-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCC[NH+]1CCCC1 ZINC000458852837 477629304 /nfs/dbraw/zinc/62/93/04/477629304.db2.gz OIESJUVBKBONAG-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO COc1cc2nccc(NCCCC[N@H+](C)C3CC3)c2cc1OC ZINC000413348805 477641142 /nfs/dbraw/zinc/64/11/42/477641142.db2.gz PNNNKLMHUGDGAW-UHFFFAOYSA-N 1 3 329.444 2.960 20 0 EFADHO COc1cc2nccc(NCCCC[N@@H+](C)C3CC3)c2cc1OC ZINC000413348805 477641148 /nfs/dbraw/zinc/64/11/48/477641148.db2.gz PNNNKLMHUGDGAW-UHFFFAOYSA-N 1 3 329.444 2.960 20 0 EFADHO Cc1noc(CCCN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000420306985 477679074 /nfs/dbraw/zinc/67/90/74/477679074.db2.gz IEUILPIRSUZSAZ-OALUTQOASA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)n1 ZINC000420306985 477679087 /nfs/dbraw/zinc/67/90/87/477679087.db2.gz IEUILPIRSUZSAZ-OALUTQOASA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)n1 ZINC000420306985 477679095 /nfs/dbraw/zinc/67/90/95/477679095.db2.gz IEUILPIRSUZSAZ-OALUTQOASA-N 1 3 342.487 2.983 20 0 EFADHO CCOc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420312277 477683398 /nfs/dbraw/zinc/68/33/98/477683398.db2.gz WQBQVDUQWXGNHT-SFHVURJKSA-N 1 3 331.504 2.593 20 0 EFADHO CC[C@H](C)N(CC[C@H]1CC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000420317124 477688054 /nfs/dbraw/zinc/68/80/54/477688054.db2.gz NFPDDMFHIYABNL-LSDHHAIUSA-N 1 3 328.460 2.936 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000420320017 477690193 /nfs/dbraw/zinc/69/01/93/477690193.db2.gz QAERRBIWXDBQJO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000420320017 477690203 /nfs/dbraw/zinc/69/02/03/477690203.db2.gz QAERRBIWXDBQJO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000420320017 477690212 /nfs/dbraw/zinc/69/02/12/477690212.db2.gz QAERRBIWXDBQJO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000420326212 477694754 /nfs/dbraw/zinc/69/47/54/477694754.db2.gz WYCVBBGLQGTMAO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000420326212 477694761 /nfs/dbraw/zinc/69/47/61/477694761.db2.gz WYCVBBGLQGTMAO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000420326212 477694767 /nfs/dbraw/zinc/69/47/67/477694767.db2.gz WYCVBBGLQGTMAO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000420330656 477699946 /nfs/dbraw/zinc/69/99/46/477699946.db2.gz LLWKFBRPTFUNNR-MJGOQNOKSA-N 1 3 345.418 2.809 20 0 EFADHO CS[C@@H]1C[N@H+](C[C@@H]2CCCCN2C(C)C)C[C@H]1N1CCCC1 ZINC000450741776 477701443 /nfs/dbraw/zinc/70/14/43/477701443.db2.gz YDOIAAJXIWRSLT-RCCFBDPRSA-N 1 3 325.566 2.761 20 0 EFADHO CS[C@@H]1C[N@@H+](C[C@@H]2CCCCN2C(C)C)C[C@H]1N1CCCC1 ZINC000450741776 477701444 /nfs/dbraw/zinc/70/14/44/477701444.db2.gz YDOIAAJXIWRSLT-RCCFBDPRSA-N 1 3 325.566 2.761 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000420332779 477701804 /nfs/dbraw/zinc/70/18/04/477701804.db2.gz NFCZRIMKQBRJBF-MJGOQNOKSA-N 1 3 327.428 2.670 20 0 EFADHO CCC[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420332400 477702368 /nfs/dbraw/zinc/70/23/68/477702368.db2.gz JITSOTJJPKSAFE-IJXRJRJASA-N 1 3 343.515 2.964 20 0 EFADHO CC[C@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000420333153 477702656 /nfs/dbraw/zinc/70/26/56/477702656.db2.gz JZGBJZLDIRRIMV-JZXOWHBKSA-N 1 3 349.906 2.839 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334949 477703623 /nfs/dbraw/zinc/70/36/23/477703623.db2.gz GYGNLLVYPQIXGV-NEWSRXKRSA-N 1 3 329.488 2.528 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000420333904 477703939 /nfs/dbraw/zinc/70/39/39/477703939.db2.gz TXVRYYFQMAWHFQ-YQVWRLOYSA-N 1 3 327.472 2.504 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450750954 477704651 /nfs/dbraw/zinc/70/46/51/477704651.db2.gz CEWWJTQEWZLLMY-QIJZPMMNSA-N 1 3 348.531 2.878 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450750954 477704661 /nfs/dbraw/zinc/70/46/61/477704661.db2.gz CEWWJTQEWZLLMY-QIJZPMMNSA-N 1 3 348.531 2.878 20 0 EFADHO Cc1ccc(C)c(OCCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420334855 477704652 /nfs/dbraw/zinc/70/46/52/477704652.db2.gz UMBGNLQBGBSPRJ-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420334855 477704660 /nfs/dbraw/zinc/70/46/60/477704660.db2.gz UMBGNLQBGBSPRJ-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1ccc(C)c(OCCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420334855 477704665 /nfs/dbraw/zinc/70/46/65/477704665.db2.gz UMBGNLQBGBSPRJ-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339013 477707526 /nfs/dbraw/zinc/70/75/26/477707526.db2.gz LKYVKMLJEITACM-QKDSSNGWSA-N 1 3 335.536 2.637 20 0 EFADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339483 477708973 /nfs/dbraw/zinc/70/89/73/477708973.db2.gz LUVWFRODOGGSRS-GVDBMIGSSA-N 1 3 345.487 2.734 20 0 EFADHO Cc1cccc(C)c1OCCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420340266 477709304 /nfs/dbraw/zinc/70/93/04/477709304.db2.gz ZUAISILYLCGKFA-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cccc(C)c1OCCC[N@@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420340266 477709307 /nfs/dbraw/zinc/70/93/07/477709307.db2.gz ZUAISILYLCGKFA-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cccc(C)c1OCCC[N@H+]1C[C@@H](CN)C2(C1)CCOCC2 ZINC000420340266 477709315 /nfs/dbraw/zinc/70/93/15/477709315.db2.gz ZUAISILYLCGKFA-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420344505 477710922 /nfs/dbraw/zinc/71/09/22/477710922.db2.gz TZFJBDPTCYWBCU-ONIAQPFYSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)(C)c1cccc(OCCCN2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346149 477712625 /nfs/dbraw/zinc/71/26/25/477712625.db2.gz CFUJIPORIOAYND-LJQANCHMSA-N 1 3 345.531 2.733 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345796 477714180 /nfs/dbraw/zinc/71/41/80/477714180.db2.gz WRNHMMCNURWESQ-NJAFHUGGSA-N 1 3 347.478 2.667 20 0 EFADHO CCC[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420346644 477715603 /nfs/dbraw/zinc/71/56/03/477715603.db2.gz XAFAQTHHXVEFJK-CEXWTWQISA-N 1 3 329.488 2.575 20 0 EFADHO CC(=O)Nc1ccc(CN2CCC(Nc3cc[nH+]cc3C)CC2)cc1 ZINC000450784319 477715688 /nfs/dbraw/zinc/71/56/88/477715688.db2.gz ILQLGBKDEDJPSG-UHFFFAOYSA-N 1 3 338.455 2.847 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420360894 477720792 /nfs/dbraw/zinc/72/07/92/477720792.db2.gz LPSRVLADHXOPGU-HNNXBMFYSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420360894 477720794 /nfs/dbraw/zinc/72/07/94/477720794.db2.gz LPSRVLADHXOPGU-HNNXBMFYSA-N 1 3 339.867 2.655 20 0 EFADHO [NH3+]C[C@@H](NCCC(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000420365374 477723844 /nfs/dbraw/zinc/72/38/44/477723844.db2.gz LBQCYWTUQXXTIX-MRXNPFEDSA-N 1 3 335.517 2.520 20 0 EFADHO COC(=O)CCN(CCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000420366349 477725702 /nfs/dbraw/zinc/72/57/02/477725702.db2.gz UCVRAULRMKYCRU-UHFFFAOYSA-N 1 3 340.414 2.720 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370622 477728589 /nfs/dbraw/zinc/72/85/89/477728589.db2.gz JVYVZJFNMHBWTG-SFHVURJKSA-N 1 3 327.472 2.936 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370622 477728595 /nfs/dbraw/zinc/72/85/95/477728595.db2.gz JVYVZJFNMHBWTG-SFHVURJKSA-N 1 3 327.472 2.936 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000420370622 477728599 /nfs/dbraw/zinc/72/85/99/477728599.db2.gz JVYVZJFNMHBWTG-SFHVURJKSA-N 1 3 327.472 2.936 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373689 477730214 /nfs/dbraw/zinc/73/02/14/477730214.db2.gz MXBMFTDDCJXYGF-AEFFLSMTSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373689 477730219 /nfs/dbraw/zinc/73/02/19/477730219.db2.gz MXBMFTDDCJXYGF-AEFFLSMTSA-N 1 3 328.460 2.915 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000420373689 477730228 /nfs/dbraw/zinc/73/02/28/477730228.db2.gz MXBMFTDDCJXYGF-AEFFLSMTSA-N 1 3 328.460 2.915 20 0 EFADHO COC[C@@H](Cc1ccccc1)N(C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420377894 477732614 /nfs/dbraw/zinc/73/26/14/477732614.db2.gz SSLRBMSCURYDCN-WOJBJXKFSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420377894 477732617 /nfs/dbraw/zinc/73/26/17/477732617.db2.gz SSLRBMSCURYDCN-WOJBJXKFSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420377894 477732625 /nfs/dbraw/zinc/73/26/25/477732625.db2.gz SSLRBMSCURYDCN-WOJBJXKFSA-N 1 3 342.483 2.927 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000420377102 477733090 /nfs/dbraw/zinc/73/30/90/477733090.db2.gz KQLVJPRQGYTUOX-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000420377106 477733549 /nfs/dbraw/zinc/73/35/49/477733549.db2.gz KQLVJPRQGYTUOX-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420378639 477734349 /nfs/dbraw/zinc/73/43/49/477734349.db2.gz MLECRIJULKAFQG-WOJBJXKFSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3cccc(Cl)c3)CC2)C1 ZINC000420382681 477736260 /nfs/dbraw/zinc/73/62/60/477736260.db2.gz DYXOLKXOBRXYNY-AEFFLSMTSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3cccc(Cl)c3)CC2)C1 ZINC000420382684 477736375 /nfs/dbraw/zinc/73/63/75/477736375.db2.gz DYXOLKXOBRXYNY-WMZOPIPTSA-N 1 3 338.879 2.937 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420386629 477738098 /nfs/dbraw/zinc/73/80/98/477738098.db2.gz IYWHDSMTXLJNQT-RTBURBONSA-N 1 3 332.488 2.901 20 0 EFADHO CCc1cccc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000420389513 477739908 /nfs/dbraw/zinc/73/99/08/477739908.db2.gz MEHFDPPPUFTGBN-UYAOXDASSA-N 1 3 332.488 2.846 20 0 EFADHO C[C@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C[NH3+] ZINC000420392487 477744441 /nfs/dbraw/zinc/74/44/41/477744441.db2.gz BPUVBNPGSQAERK-JSGCOSHPSA-N 1 3 334.851 2.849 20 0 EFADHO C[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000420395558 477745910 /nfs/dbraw/zinc/74/59/10/477745910.db2.gz DNGPDAHSPOHCQU-GXTWGEPZSA-N 1 3 334.851 2.849 20 0 EFADHO C[C@H](NC[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C)(C)c1ccccc1 ZINC000420396443 477747617 /nfs/dbraw/zinc/74/76/17/477747617.db2.gz FEPRCEFXIPGLDK-VDGAXYAQSA-N 1 3 326.484 2.873 20 0 EFADHO O=C(CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCc1ccccc1Cl ZINC000420397686 477747679 /nfs/dbraw/zinc/74/76/79/477747679.db2.gz MURLXECPKSXJEI-FUHWJXTLSA-N 1 3 349.906 2.810 20 0 EFADHO CCC(CC)N(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000367907516 477747783 /nfs/dbraw/zinc/74/77/83/477747783.db2.gz RQFFBHZFTVHUJK-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000372306335 477748271 /nfs/dbraw/zinc/74/82/71/477748271.db2.gz CBDZQRFJFZYTFY-GOSISDBHSA-N 1 3 344.503 2.944 20 0 EFADHO [NH3+]CC1(O)CCN(CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000420403137 477750365 /nfs/dbraw/zinc/75/03/65/477750365.db2.gz KPBWKNNZVFVRKD-UHFFFAOYSA-N 1 3 342.439 2.643 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCN1C ZINC000437782912 477753376 /nfs/dbraw/zinc/75/33/76/477753376.db2.gz GWZJAUDPQMJXMV-BPQIPLTHSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCN1C ZINC000437782912 477753383 /nfs/dbraw/zinc/75/33/83/477753383.db2.gz GWZJAUDPQMJXMV-BPQIPLTHSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437806494 477757931 /nfs/dbraw/zinc/75/79/31/477757931.db2.gz YLOMZQNPTQYHSG-AYOQOUSVSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437806494 477757936 /nfs/dbraw/zinc/75/79/36/477757936.db2.gz YLOMZQNPTQYHSG-AYOQOUSVSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437806495 477758299 /nfs/dbraw/zinc/75/82/99/477758299.db2.gz YLOMZQNPTQYHSG-LZQZEXGQSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437806495 477758303 /nfs/dbraw/zinc/75/83/03/477758303.db2.gz YLOMZQNPTQYHSG-LZQZEXGQSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437806496 477758645 /nfs/dbraw/zinc/75/86/45/477758645.db2.gz YLOMZQNPTQYHSG-MNEFBYGVSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437806496 477758650 /nfs/dbraw/zinc/75/86/50/477758650.db2.gz YLOMZQNPTQYHSG-MNEFBYGVSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@H]1CN(Cc2cccc3cccnc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372333263 477760180 /nfs/dbraw/zinc/76/01/80/477760180.db2.gz PVFWMQBNUXZSFQ-PXNSSMCTSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCN1C ZINC000455865210 477770069 /nfs/dbraw/zinc/77/00/69/477770069.db2.gz UIPOPMBCQMFIGR-BVGQSLNGSA-N 1 3 330.476 2.840 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1C ZINC000455914242 477783631 /nfs/dbraw/zinc/78/36/31/477783631.db2.gz JXJXYNVATJPWGB-RPVQJOFSSA-N 1 3 330.476 2.840 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000455925418 477785202 /nfs/dbraw/zinc/78/52/02/477785202.db2.gz NBBRVBPSGRZAJO-FUHWJXTLSA-N 1 3 328.460 2.547 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420874020 477796834 /nfs/dbraw/zinc/79/68/34/477796834.db2.gz YHMPJUCGLZKAOW-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000420874020 477796838 /nfs/dbraw/zinc/79/68/38/477796838.db2.gz YHMPJUCGLZKAOW-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CCC1 ZINC000368464462 477809733 /nfs/dbraw/zinc/80/97/33/477809733.db2.gz FFNMMWLABLZHTQ-FUHWJXTLSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438321065 477822961 /nfs/dbraw/zinc/82/29/61/477822961.db2.gz DLIRHWMMFQBLJX-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438321065 477822966 /nfs/dbraw/zinc/82/29/66/477822966.db2.gz DLIRHWMMFQBLJX-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)N(CC)CC ZINC000515486387 477830722 /nfs/dbraw/zinc/83/07/22/477830722.db2.gz KSDTUELIOIAZGS-UHOSZYNNSA-N 1 3 349.494 2.755 20 0 EFADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438348828 477831831 /nfs/dbraw/zinc/83/18/31/477831831.db2.gz UBTIWYFIPBIYCD-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438348828 477831836 /nfs/dbraw/zinc/83/18/36/477831836.db2.gz UBTIWYFIPBIYCD-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936409 477834107 /nfs/dbraw/zinc/83/41/07/477834107.db2.gz MVZYTESYOKZCNO-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936409 477834113 /nfs/dbraw/zinc/83/41/13/477834113.db2.gz MVZYTESYOKZCNO-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936409 477834120 /nfs/dbraw/zinc/83/41/20/477834120.db2.gz MVZYTESYOKZCNO-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000420936409 477834127 /nfs/dbraw/zinc/83/41/27/477834127.db2.gz MVZYTESYOKZCNO-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000515517347 477835379 /nfs/dbraw/zinc/83/53/79/477835379.db2.gz RSELUWUHGAJQOI-PXNSSMCTSA-N 1 3 348.487 2.812 20 0 EFADHO CCOc1ccc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000515517348 477835477 /nfs/dbraw/zinc/83/54/77/477835477.db2.gz RSELUWUHGAJQOI-XLIONFOSSA-N 1 3 348.487 2.812 20 0 EFADHO CN(C)C/C=C\C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000493821201 477843879 /nfs/dbraw/zinc/84/38/79/477843879.db2.gz LTKICMBUBNZOCZ-KEEQEYLASA-N 1 3 329.488 2.523 20 0 EFADHO CN(C)C/C=C\C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000493821201 477843887 /nfs/dbraw/zinc/84/38/87/477843887.db2.gz LTKICMBUBNZOCZ-KEEQEYLASA-N 1 3 329.488 2.523 20 0 EFADHO C[C@@H]1C[N@H+](CCc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000459332989 477850043 /nfs/dbraw/zinc/85/00/43/477850043.db2.gz AKYBJYUQMJGSHK-APWZRJJASA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000459332989 477850049 /nfs/dbraw/zinc/85/00/49/477850049.db2.gz AKYBJYUQMJGSHK-APWZRJJASA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438551548 477862372 /nfs/dbraw/zinc/86/23/72/477862372.db2.gz FCYYZTBAMXHAJO-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(OC)c(F)c3)CC2)CC1 ZINC000420979161 477874105 /nfs/dbraw/zinc/87/41/05/477874105.db2.gz JXAZEFKKTQCPCB-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451201728 477875069 /nfs/dbraw/zinc/87/50/69/477875069.db2.gz KUCFPHNLNSUVSQ-RTBURBONSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451201728 477875075 /nfs/dbraw/zinc/87/50/75/477875075.db2.gz KUCFPHNLNSUVSQ-RTBURBONSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451201727 477875447 /nfs/dbraw/zinc/87/54/47/477875447.db2.gz KUCFPHNLNSUVSQ-RBUKOAKNSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451201727 477875452 /nfs/dbraw/zinc/87/54/52/477875452.db2.gz KUCFPHNLNSUVSQ-RBUKOAKNSA-N 1 3 333.520 2.917 20 0 EFADHO CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1)[NH+](C)C ZINC000456349380 477877741 /nfs/dbraw/zinc/87/77/41/477877741.db2.gz VQNSJOYYDDTRAZ-PKOBYXMFSA-N 1 3 331.504 2.553 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428429137 477893254 /nfs/dbraw/zinc/89/32/54/477893254.db2.gz ZTIRNVREMLMMIM-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](CCN1CCC[C@@H](CCO)CC1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421014012 477903750 /nfs/dbraw/zinc/90/37/50/477903750.db2.gz JWXKVEVQFDZPMY-AQNXPRMDSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CCN1CCC[C@@H](CCO)CC1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014012 477903755 /nfs/dbraw/zinc/90/37/55/477903755.db2.gz JWXKVEVQFDZPMY-AQNXPRMDSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@@H+]1CCC[C@@H](CCO)CC1)N1CCC[C@H](CCO)CC1 ZINC000421014012 477903760 /nfs/dbraw/zinc/90/37/60/477903760.db2.gz JWXKVEVQFDZPMY-AQNXPRMDSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@H+]1CCC[C@@H](CCO)CC1)N1CCC[C@H](CCO)CC1 ZINC000421014012 477903764 /nfs/dbraw/zinc/90/37/64/477903764.db2.gz JWXKVEVQFDZPMY-AQNXPRMDSA-N 1 3 340.552 2.734 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2sccc2c1 ZINC000558646980 477904368 /nfs/dbraw/zinc/90/43/68/477904368.db2.gz WPIBYNCWHVXVDG-UHFFFAOYSA-N 1 3 348.516 2.536 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494068088 477915021 /nfs/dbraw/zinc/91/50/21/477915021.db2.gz DUHQJWFTDJKOJD-RYRKJORJSA-N 1 3 331.504 2.932 20 0 EFADHO CC(C)[C@@H](CNC1CCN(c2cnccn2)CC1)[NH+]1CCCCCC1 ZINC000532459641 477930896 /nfs/dbraw/zinc/93/08/96/477930896.db2.gz RDQXBXWZOYXDRU-LJQANCHMSA-N 1 3 345.535 2.936 20 0 EFADHO CC(C)[C@H](CNC1CCN(c2cnccn2)CC1)[NH+]1CCCCCC1 ZINC000532459638 477931277 /nfs/dbraw/zinc/93/12/77/477931277.db2.gz RDQXBXWZOYXDRU-IBGZPJMESA-N 1 3 345.535 2.936 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000439179472 477939684 /nfs/dbraw/zinc/93/96/84/477939684.db2.gz VLKSYXIZQGFARZ-FJIDUMEYSA-N 1 3 336.524 2.518 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000439179472 477939690 /nfs/dbraw/zinc/93/96/90/477939690.db2.gz VLKSYXIZQGFARZ-FJIDUMEYSA-N 1 3 336.524 2.518 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC000532584234 477949876 /nfs/dbraw/zinc/94/98/76/477949876.db2.gz LWUKOENUSIATLU-IEBWSBKVSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC000532584234 477949884 /nfs/dbraw/zinc/94/98/84/477949884.db2.gz LWUKOENUSIATLU-IEBWSBKVSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375817 477973546 /nfs/dbraw/zinc/97/35/46/477973546.db2.gz RNMJUNNOSAPISA-BXWFABGCSA-N 1 3 344.503 2.942 20 0 EFADHO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375817 477973549 /nfs/dbraw/zinc/97/35/49/477973549.db2.gz RNMJUNNOSAPISA-BXWFABGCSA-N 1 3 344.503 2.942 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000421143705 477978631 /nfs/dbraw/zinc/97/86/31/477978631.db2.gz CLVJOITVSDMMLD-AEFFLSMTSA-N 1 3 330.476 2.793 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000465527162 477978704 /nfs/dbraw/zinc/97/87/04/477978704.db2.gz GXAOTKAXFSTFNG-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@H]2C)C1 ZINC000465527162 477978711 /nfs/dbraw/zinc/97/87/11/477978711.db2.gz GXAOTKAXFSTFNG-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000516752011 477981970 /nfs/dbraw/zinc/98/19/70/477981970.db2.gz JSFYCJJTASEPKP-AWEZNQCLSA-N 1 3 334.851 2.910 20 0 EFADHO CCC[C@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465778025 477988302 /nfs/dbraw/zinc/98/83/02/477988302.db2.gz XBRHRAMPPAERBY-IRXDYDNUSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[C@H](CC)NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465778025 477988308 /nfs/dbraw/zinc/98/83/08/477988308.db2.gz XBRHRAMPPAERBY-IRXDYDNUSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466036024 478001350 /nfs/dbraw/zinc/00/13/50/478001350.db2.gz DGVMXZZLLQGLAY-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466036024 478001358 /nfs/dbraw/zinc/00/13/58/478001358.db2.gz DGVMXZZLLQGLAY-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C)CCC3CC3)CC2)CC1 ZINC000516876631 478004334 /nfs/dbraw/zinc/00/43/34/478004334.db2.gz CGTIFTKAPHNDAF-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000559921145 478007459 /nfs/dbraw/zinc/00/74/59/478007459.db2.gz PVIAIKDHDZEAFW-BEFAXECRSA-N 1 3 341.455 2.508 20 0 EFADHO COc1cc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccn1 ZINC000559921145 478007465 /nfs/dbraw/zinc/00/74/65/478007465.db2.gz PVIAIKDHDZEAFW-BEFAXECRSA-N 1 3 341.455 2.508 20 0 EFADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC000559964167 478008534 /nfs/dbraw/zinc/00/85/34/478008534.db2.gz NYTQWEADOTUIFP-FQEVSTJZSA-N 1 3 348.462 2.720 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1(C)C ZINC000560235641 478035604 /nfs/dbraw/zinc/03/56/04/478035604.db2.gz LSLFGKJQRGCHTH-RTBURBONSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494659699 478038002 /nfs/dbraw/zinc/03/80/02/478038002.db2.gz QVLHDZVAPFUHHP-BZUAXINKSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)C1 ZINC000421352340 478048104 /nfs/dbraw/zinc/04/81/04/478048104.db2.gz QGMIELMGRUIBKX-DWRORGKVSA-N 1 3 335.536 2.911 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000494706089 478052500 /nfs/dbraw/zinc/05/25/00/478052500.db2.gz CVHROBFKRCCFKJ-DOTOQJQBSA-N 1 3 335.467 2.671 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C)[C@H]3C)CC2)CC1 ZINC000517171211 478058847 /nfs/dbraw/zinc/05/88/47/478058847.db2.gz BIDOYJBBSJDJIJ-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CCOc1c(OC)cc(CNCC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459734259 478065091 /nfs/dbraw/zinc/06/50/91/478065091.db2.gz OIXKKOJUWJVKEM-OAHLLOKOSA-N 1 3 336.476 2.924 20 0 EFADHO CCOc1c(OC)cc(CNCC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459734259 478065102 /nfs/dbraw/zinc/06/51/02/478065102.db2.gz OIXKKOJUWJVKEM-OAHLLOKOSA-N 1 3 336.476 2.924 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000440234684 478094242 /nfs/dbraw/zinc/09/42/42/478094242.db2.gz CIYSXLMJYNXFRT-UHFFFAOYSA-N 1 3 326.529 2.624 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000440274338 478100349 /nfs/dbraw/zinc/10/03/49/478100349.db2.gz XISMAQOJTDTUFF-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000440274338 478100358 /nfs/dbraw/zinc/10/03/58/478100358.db2.gz XISMAQOJTDTUFF-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000440274337 478100560 /nfs/dbraw/zinc/10/05/60/478100560.db2.gz XISMAQOJTDTUFF-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000440274337 478100565 /nfs/dbraw/zinc/10/05/65/478100565.db2.gz XISMAQOJTDTUFF-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(CNC1CC(c2cccc(F)c2)C1)NCC[NH+]1CCCCCC1 ZINC000560547179 478108121 /nfs/dbraw/zinc/10/81/21/478108121.db2.gz NAYOIGQJELITOD-UHFFFAOYSA-N 1 3 347.478 2.654 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000560584094 478112697 /nfs/dbraw/zinc/11/26/97/478112697.db2.gz HDBRIPQEESXULS-RDJZCZTQSA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000560584094 478112703 /nfs/dbraw/zinc/11/27/03/478112703.db2.gz HDBRIPQEESXULS-RDJZCZTQSA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000560584095 478113138 /nfs/dbraw/zinc/11/31/38/478113138.db2.gz HDBRIPQEESXULS-WBVHZDCISA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000560584095 478113144 /nfs/dbraw/zinc/11/31/44/478113144.db2.gz HDBRIPQEESXULS-WBVHZDCISA-N 1 3 333.476 2.876 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CC1 ZINC000517892614 478129950 /nfs/dbraw/zinc/12/99/50/478129950.db2.gz ZEOVDFNSAPXCAE-YGRLFVJLSA-N 1 3 329.366 2.749 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451630815 478133612 /nfs/dbraw/zinc/13/36/12/478133612.db2.gz ULGLAWDYXGDOKN-UXHICEINSA-N 1 3 349.563 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451630815 478133618 /nfs/dbraw/zinc/13/36/18/478133618.db2.gz ULGLAWDYXGDOKN-UXHICEINSA-N 1 3 349.563 2.684 20 0 EFADHO C[C@@H]1C[C@H]1C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000488331095 478139906 /nfs/dbraw/zinc/13/99/06/478139906.db2.gz IOTFQBWVAMNMLY-XLIONFOSSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1 ZINC000429483820 478141923 /nfs/dbraw/zinc/14/19/23/478141923.db2.gz NZLNNWNWLZFNCF-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000518135179 478145092 /nfs/dbraw/zinc/14/50/92/478145092.db2.gz XSISFFFEXMXREC-GJZGRUSLSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000518135179 478145098 /nfs/dbraw/zinc/14/50/98/478145098.db2.gz XSISFFFEXMXREC-GJZGRUSLSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000518135183 478145176 /nfs/dbraw/zinc/14/51/76/478145176.db2.gz XSISFFFEXMXREC-LSDHHAIUSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCCC[C@@H]1C ZINC000518135183 478145181 /nfs/dbraw/zinc/14/51/81/478145181.db2.gz XSISFFFEXMXREC-LSDHHAIUSA-N 1 3 330.476 2.717 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168317 478146610 /nfs/dbraw/zinc/14/66/10/478146610.db2.gz DMWGCNAAWPLBDS-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168317 478146612 /nfs/dbraw/zinc/14/66/12/478146612.db2.gz DMWGCNAAWPLBDS-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168317 478146615 /nfs/dbraw/zinc/14/66/15/478146615.db2.gz DMWGCNAAWPLBDS-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccccc1 ZINC000561060224 478149356 /nfs/dbraw/zinc/14/93/56/478149356.db2.gz GREYZVNDQYKKSN-RBUKOAKNSA-N 1 3 336.439 2.857 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000561070075 478149923 /nfs/dbraw/zinc/14/99/23/478149923.db2.gz PLHPMCFLZWVCNA-IAGOWNOFSA-N 1 3 335.536 2.687 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000488500654 478156123 /nfs/dbraw/zinc/15/61/23/478156123.db2.gz FVFLOVCZPZMPPQ-AEFFLSMTSA-N 1 3 335.536 2.926 20 0 EFADHO CCNC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000488500654 478156128 /nfs/dbraw/zinc/15/61/28/478156128.db2.gz FVFLOVCZPZMPPQ-AEFFLSMTSA-N 1 3 335.536 2.926 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000488567032 478162818 /nfs/dbraw/zinc/16/28/18/478162818.db2.gz YQNFJGZCSAAIKY-OAQYLSRUSA-N 1 3 344.547 2.601 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000488567032 478162821 /nfs/dbraw/zinc/16/28/21/478162821.db2.gz YQNFJGZCSAAIKY-OAQYLSRUSA-N 1 3 344.547 2.601 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574402 478163189 /nfs/dbraw/zinc/16/31/89/478163189.db2.gz HFULJCWSWTWSFV-BHIYHBOVSA-N 1 3 343.515 2.601 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000488574402 478163195 /nfs/dbraw/zinc/16/31/95/478163195.db2.gz HFULJCWSWTWSFV-BHIYHBOVSA-N 1 3 343.515 2.601 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000518514034 478174075 /nfs/dbraw/zinc/17/40/75/478174075.db2.gz JCFFLIYBPCKRIV-IHPCNDPISA-N 1 3 333.520 2.674 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000518631732 478181310 /nfs/dbraw/zinc/18/13/10/478181310.db2.gz LBXYUXMOSHPQKM-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO COc1nc2ccccc2cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000535008579 478183989 /nfs/dbraw/zinc/18/39/89/478183989.db2.gz UTIKRJQLIDXYKH-UHFFFAOYSA-N 1 3 343.471 2.568 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495413471 478192378 /nfs/dbraw/zinc/19/23/78/478192378.db2.gz QXTZPAMKFFCODT-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CC[N@H+]1CCC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495413471 478192383 /nfs/dbraw/zinc/19/23/83/478192383.db2.gz QXTZPAMKFFCODT-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495419125 478193777 /nfs/dbraw/zinc/19/37/77/478193777.db2.gz UFPPYFFRKLSWBJ-GOSISDBHSA-N 1 3 327.513 2.955 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000518941558 478199858 /nfs/dbraw/zinc/19/98/58/478199858.db2.gz IZAHMHLIHXDMJX-GOSISDBHSA-N 1 3 328.460 2.527 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976775 478210444 /nfs/dbraw/zinc/21/04/44/478210444.db2.gz RSZUKCHGRUWPEH-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976775 478210449 /nfs/dbraw/zinc/21/04/49/478210449.db2.gz RSZUKCHGRUWPEH-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000561976775 478210455 /nfs/dbraw/zinc/21/04/55/478210455.db2.gz RSZUKCHGRUWPEH-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO CC(CN1CC[C@@H](O)CC(C)(C)C1)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812005 478212977 /nfs/dbraw/zinc/21/29/77/478212977.db2.gz PYNHESHNWWBDNM-QZTJIDSGSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CC[C@@H](O)CC(C)(C)C1)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812005 478212979 /nfs/dbraw/zinc/21/29/79/478212979.db2.gz PYNHESHNWWBDNM-QZTJIDSGSA-N 1 3 340.552 2.588 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000562190476 478218174 /nfs/dbraw/zinc/21/81/74/478218174.db2.gz POXNYABNMWTVMM-RBUKOAKNSA-N 1 3 331.504 2.700 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000562190476 478218177 /nfs/dbraw/zinc/21/81/77/478218177.db2.gz POXNYABNMWTVMM-RBUKOAKNSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000519678911 478248293 /nfs/dbraw/zinc/24/82/93/478248293.db2.gz DJBCTQZWFDLASO-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CN(Cc1cncc(CN(C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000562535509 478263802 /nfs/dbraw/zinc/26/38/02/478263802.db2.gz OBOJAZJZVPEFFE-IAGOWNOFSA-N 1 3 337.558 2.956 20 0 EFADHO CN(Cc1cncc(C[N@H+](C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000562535509 478263805 /nfs/dbraw/zinc/26/38/05/478263805.db2.gz OBOJAZJZVPEFFE-IAGOWNOFSA-N 1 3 337.558 2.956 20 0 EFADHO CN(Cc1cncc(C[N@@H+](C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000562535509 478263808 /nfs/dbraw/zinc/26/38/08/478263808.db2.gz OBOJAZJZVPEFFE-IAGOWNOFSA-N 1 3 337.558 2.956 20 0 EFADHO C[N@H+](CCCNC[C@@H](O)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000519819832 478264091 /nfs/dbraw/zinc/26/40/91/478264091.db2.gz NMMRLRJULVGSFU-FQEVSTJZSA-N 1 3 330.447 2.841 20 0 EFADHO C[N@@H+](CCCNC[C@@H](O)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000519819832 478264092 /nfs/dbraw/zinc/26/40/92/478264092.db2.gz NMMRLRJULVGSFU-FQEVSTJZSA-N 1 3 330.447 2.841 20 0 EFADHO C[C@H](CNC(=O)N1CCCN(C(C)(C)C)CC1)C[NH+]1CCCCC1 ZINC000519926833 478270836 /nfs/dbraw/zinc/27/08/36/478270836.db2.gz JQFWCBDVEDIFKQ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO COc1ccc([C@@H](C)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1NC(C)=O ZINC000579342332 478273172 /nfs/dbraw/zinc/27/31/72/478273172.db2.gz GMPKGLPAWXXERQ-OAUYIBNBSA-N 1 3 331.460 2.692 20 0 EFADHO CC(C)(CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000570086696 478280950 /nfs/dbraw/zinc/28/09/50/478280950.db2.gz FAYLANPXAALDTL-HKUYNNGSSA-N 1 3 343.515 2.847 20 0 EFADHO Brc1cccc(-c2c[nH]c(CNCC[C@H]3CC[NH2+]C3)n2)c1 ZINC000520196705 478282329 /nfs/dbraw/zinc/28/23/29/478282329.db2.gz PFTYRTBEQOENTI-GFCCVEGCSA-N 1 3 349.276 2.928 20 0 EFADHO CC1CCC(O)(C[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CC1 ZINC000520219915 478285639 /nfs/dbraw/zinc/28/56/39/478285639.db2.gz OORGZNOPURZNMW-UHFFFAOYSA-N 1 3 346.515 2.674 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2cccc(C)c2)c1 ZINC000579463490 478303961 /nfs/dbraw/zinc/30/39/61/478303961.db2.gz VQEIZIXTBLIPOH-HXUWFJFHSA-N 1 3 342.483 2.976 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2cccc(C)c2)c1 ZINC000579463490 478303965 /nfs/dbraw/zinc/30/39/65/478303965.db2.gz VQEIZIXTBLIPOH-HXUWFJFHSA-N 1 3 342.483 2.976 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000520419695 478309122 /nfs/dbraw/zinc/30/91/22/478309122.db2.gz LKYOSCNBJZETLV-QKLQHJQFSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000520419695 478309128 /nfs/dbraw/zinc/30/91/28/478309128.db2.gz LKYOSCNBJZETLV-QKLQHJQFSA-N 1 3 329.488 2.640 20 0 EFADHO CN1CCC[C@@H](N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000537610647 478318627 /nfs/dbraw/zinc/31/86/27/478318627.db2.gz ASTBFNGYGJKWTB-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H](N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000537610647 478318636 /nfs/dbraw/zinc/31/86/36/478318636.db2.gz ASTBFNGYGJKWTB-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000570273730 478324041 /nfs/dbraw/zinc/32/40/41/478324041.db2.gz RRWMXBWZGVAIHH-IBGZPJMESA-N 1 3 346.515 2.940 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C3CCN(C)CC3)C2)s1 ZINC000570285969 478328037 /nfs/dbraw/zinc/32/80/37/478328037.db2.gz KCJCBPFOSFKYTP-INIZCTEOSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C3CCN(C)CC3)C2)s1 ZINC000570285969 478328041 /nfs/dbraw/zinc/32/80/41/478328041.db2.gz KCJCBPFOSFKYTP-INIZCTEOSA-N 1 3 349.544 2.679 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000579586622 478332653 /nfs/dbraw/zinc/33/26/53/478332653.db2.gz BLGFRBMKIXNNFT-QAPCUYQASA-N 1 3 329.488 2.500 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000579586622 478332660 /nfs/dbraw/zinc/33/26/60/478332660.db2.gz BLGFRBMKIXNNFT-QAPCUYQASA-N 1 3 329.488 2.500 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@@H+](C2CCC2)C1 ZINC000490379775 478335405 /nfs/dbraw/zinc/33/54/05/478335405.db2.gz UEINOGYXSAWZSS-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC[N@H+](C2CCC2)C1 ZINC000490379775 478335408 /nfs/dbraw/zinc/33/54/08/478335408.db2.gz UEINOGYXSAWZSS-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CCn2ccccc2=O)CC1 ZINC000590785659 478340120 /nfs/dbraw/zinc/34/01/20/478340120.db2.gz YOTGVFHTUXUNSN-UHFFFAOYSA-N 1 3 339.483 2.692 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(CCn2ccccc2=O)CC1 ZINC000590785659 478340128 /nfs/dbraw/zinc/34/01/28/478340128.db2.gz YOTGVFHTUXUNSN-UHFFFAOYSA-N 1 3 339.483 2.692 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786871 478341344 /nfs/dbraw/zinc/34/13/44/478341344.db2.gz DTTHNBYLYLBIIN-IBGZPJMESA-N 1 3 334.504 2.787 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786871 478341358 /nfs/dbraw/zinc/34/13/58/478341358.db2.gz DTTHNBYLYLBIIN-IBGZPJMESA-N 1 3 334.504 2.787 20 0 EFADHO N[C@H](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000562809229 478356616 /nfs/dbraw/zinc/35/66/16/478356616.db2.gz GDRLCVYCNOBOIA-RBUKOAKNSA-N 1 3 325.456 2.543 20 0 EFADHO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCCCC1 ZINC000538589966 478364845 /nfs/dbraw/zinc/36/48/45/478364845.db2.gz GHWCAHWRZDXERD-PXNSSMCTSA-N 1 3 345.531 2.834 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490736661 478379143 /nfs/dbraw/zinc/37/91/43/478379143.db2.gz XTTHCNHSSSDUCD-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000490736661 478379152 /nfs/dbraw/zinc/37/91/52/478379152.db2.gz XTTHCNHSSSDUCD-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490736657 478379413 /nfs/dbraw/zinc/37/94/13/478379413.db2.gz XTTHCNHSSSDUCD-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000490736657 478379419 /nfs/dbraw/zinc/37/94/19/478379419.db2.gz XTTHCNHSSSDUCD-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCN1C ZINC000581556182 478387492 /nfs/dbraw/zinc/38/74/92/478387492.db2.gz VMKUGIDXDZSHND-HNONPPJISA-N 1 3 349.906 2.584 20 0 EFADHO O=C(Oc1ccccc1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000495890853 478390199 /nfs/dbraw/zinc/39/01/99/478390199.db2.gz JWJYJKKYJZINKP-KRWDZBQOSA-N 1 3 331.460 2.583 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989066 478404409 /nfs/dbraw/zinc/40/44/09/478404409.db2.gz DSRQGXJMALCPAP-RCCFBDPRSA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989066 478404415 /nfs/dbraw/zinc/40/44/15/478404415.db2.gz DSRQGXJMALCPAP-RCCFBDPRSA-N 1 3 340.895 2.680 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)c1 ZINC000562989464 478406106 /nfs/dbraw/zinc/40/61/06/478406106.db2.gz KYAQEHGZBRXFNY-OWCLPIDISA-N 1 3 340.895 2.851 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)c1 ZINC000562989461 478406570 /nfs/dbraw/zinc/40/65/70/478406570.db2.gz KYAQEHGZBRXFNY-ARFHVFGLSA-N 1 3 340.895 2.851 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495927278 478416466 /nfs/dbraw/zinc/41/64/66/478416466.db2.gz IDTDVZZDAIQZAU-YESZJQIVSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495927278 478416472 /nfs/dbraw/zinc/41/64/72/478416472.db2.gz IDTDVZZDAIQZAU-YESZJQIVSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@@H](NC(=O)[C@H](C)N1CCC(CC[NH3+])CC1)c1ccc(Cl)cc1 ZINC000581731164 478431329 /nfs/dbraw/zinc/43/13/29/478431329.db2.gz MQWOVBXWACWDTC-KGLIPLIRSA-N 1 3 337.895 2.967 20 0 EFADHO CCCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000539825118 478442723 /nfs/dbraw/zinc/44/27/23/478442723.db2.gz MAOVRWBMMSQZPS-NQIIRXRSSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000539825118 478442731 /nfs/dbraw/zinc/44/27/31/478442731.db2.gz MAOVRWBMMSQZPS-NQIIRXRSSA-N 1 3 345.531 2.933 20 0 EFADHO CCOc1ccc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000570782428 478443774 /nfs/dbraw/zinc/44/37/74/478443774.db2.gz PDZHHBMHQVLKND-HKUYNNGSSA-N 1 3 348.487 2.812 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527640131 478457018 /nfs/dbraw/zinc/45/70/18/478457018.db2.gz KPEYUAKEOAHIPQ-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO C[C@H](CNC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000570836745 478458525 /nfs/dbraw/zinc/45/85/25/478458525.db2.gz LBTGIRPEPYSPTG-PBHICJAKSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000570836745 478458530 /nfs/dbraw/zinc/45/85/30/478458530.db2.gz LBTGIRPEPYSPTG-PBHICJAKSA-N 1 3 344.421 2.930 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000581884566 478458963 /nfs/dbraw/zinc/45/89/63/478458963.db2.gz OOLLUVBHXFXCRX-GDBMZVCRSA-N 1 3 330.472 2.840 20 0 EFADHO C[C@@H](CNC[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000570836748 478459453 /nfs/dbraw/zinc/45/94/53/478459453.db2.gz LBTGIRPEPYSPTG-YOEHRIQHSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000570836748 478459463 /nfs/dbraw/zinc/45/94/63/478459463.db2.gz LBTGIRPEPYSPTG-YOEHRIQHSA-N 1 3 344.421 2.930 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000591097406 478462135 /nfs/dbraw/zinc/46/21/35/478462135.db2.gz RNSUNRMMVKTUOI-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000591097406 478462141 /nfs/dbraw/zinc/46/21/41/478462141.db2.gz RNSUNRMMVKTUOI-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000591100073 478464019 /nfs/dbraw/zinc/46/40/19/478464019.db2.gz IRTFZYHBRLSICB-LJQANCHMSA-N 1 3 331.504 2.747 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000540190186 478466876 /nfs/dbraw/zinc/46/68/76/478466876.db2.gz GCELOGNXBQLTRL-TZIWHRDSSA-N 1 3 345.531 2.994 20 0 EFADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000591177848 478483813 /nfs/dbraw/zinc/48/38/13/478483813.db2.gz XAQVLJREKJMHKT-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000591177848 478483816 /nfs/dbraw/zinc/48/38/16/478483816.db2.gz XAQVLJREKJMHKT-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000570959982 478490045 /nfs/dbraw/zinc/49/00/45/478490045.db2.gz JSPBKFBVWOPRFD-RHSMWYFYSA-N 1 3 344.459 2.667 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907735 478507633 /nfs/dbraw/zinc/50/76/33/478507633.db2.gz NZFOFNQESXPIQO-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907735 478507640 /nfs/dbraw/zinc/50/76/40/478507640.db2.gz NZFOFNQESXPIQO-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000582110404 478512458 /nfs/dbraw/zinc/51/24/58/478512458.db2.gz HOIDEDTVVCWJJJ-OAHLLOKOSA-N 1 3 330.476 2.574 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC1(N)CCCC1 ZINC000594738692 478523744 /nfs/dbraw/zinc/52/37/44/478523744.db2.gz LRVSHQDIQYSYGT-UHFFFAOYSA-N 1 3 332.400 2.589 20 0 EFADHO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000496103853 478539079 /nfs/dbraw/zinc/53/90/79/478539079.db2.gz NDWZOZOMIKEUTR-ZIAGYGMSSA-N 1 3 348.491 2.756 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000571185554 478540377 /nfs/dbraw/zinc/54/03/77/478540377.db2.gz PCXUGVUJZFZIQM-SFHVURJKSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1cccc(Cl)c1Cl ZINC000582295417 478563170 /nfs/dbraw/zinc/56/31/70/478563170.db2.gz IAUTWEADJVOSRR-GMXVVIOVSA-N 1 3 333.259 2.714 20 0 EFADHO CNC[C@](C)(O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000582306085 478566080 /nfs/dbraw/zinc/56/60/80/478566080.db2.gz ABXFHHPHGGQZOY-INIZCTEOSA-N 1 3 341.293 2.599 20 0 EFADHO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000563505679 478573138 /nfs/dbraw/zinc/57/31/38/478573138.db2.gz BBPFRTWXCQAZPQ-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO C[C@@H]([NH3+])CN[C@H](C)CCc1ccc(I)cc1 ZINC000591581305 478586191 /nfs/dbraw/zinc/58/61/91/478586191.db2.gz NRWPEIMGMRNSOJ-GHMZBOCLSA-N 1 3 332.229 2.549 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000591618231 478595895 /nfs/dbraw/zinc/59/58/95/478595895.db2.gz KIIWBJZJVAKANW-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCCN(C(C)(C)C)CC2)C1 ZINC000591618231 478595901 /nfs/dbraw/zinc/59/59/01/478595901.db2.gz KIIWBJZJVAKANW-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CSC[C@H](O)CNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000591726662 478614522 /nfs/dbraw/zinc/61/45/22/478614522.db2.gz XHTNBMCVHVDCKF-TXPKVOOTSA-N 1 3 336.545 2.978 20 0 EFADHO CNC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000563722745 478623325 /nfs/dbraw/zinc/62/33/25/478623325.db2.gz ISCCVRCNIHTNAS-BPUTZDHNSA-N 1 3 330.394 2.902 20 0 EFADHO C[NH2+]C[C@](C)(O)CN[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000563722745 478623330 /nfs/dbraw/zinc/62/33/30/478623330.db2.gz ISCCVRCNIHTNAS-BPUTZDHNSA-N 1 3 330.394 2.902 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571556023 478625115 /nfs/dbraw/zinc/62/51/15/478625115.db2.gz HXCDGQLPBWAQRW-JTDSTZFVSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571556023 478625123 /nfs/dbraw/zinc/62/51/23/478625123.db2.gz HXCDGQLPBWAQRW-JTDSTZFVSA-N 1 3 343.515 2.746 20 0 EFADHO C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000571632400 478639018 /nfs/dbraw/zinc/63/90/18/478639018.db2.gz BSZAGLDWKWXBOH-NRKLIOEPSA-N 1 3 346.475 2.677 20 0 EFADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000595067065 478649655 /nfs/dbraw/zinc/64/96/55/478649655.db2.gz KFWHKTURAYDALC-UHFFFAOYSA-N 1 3 345.487 2.615 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1=CCN(C)CC1 ZINC000571672006 478651543 /nfs/dbraw/zinc/65/15/43/478651543.db2.gz MHCBLUMEOIPEFI-LPHOPBHVSA-N 1 3 346.515 2.964 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000582660178 478653419 /nfs/dbraw/zinc/65/34/19/478653419.db2.gz NULPQCZBBFYLNU-GBBGEASQSA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000582660178 478653425 /nfs/dbraw/zinc/65/34/25/478653425.db2.gz NULPQCZBBFYLNU-GBBGEASQSA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000582660179 478653516 /nfs/dbraw/zinc/65/35/16/478653516.db2.gz NULPQCZBBFYLNU-GPFWEFOESA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000582660179 478653521 /nfs/dbraw/zinc/65/35/21/478653521.db2.gz NULPQCZBBFYLNU-GPFWEFOESA-N 1 3 332.488 2.712 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cnc2c(Cl)cnn2c1 ZINC000582660028 478653684 /nfs/dbraw/zinc/65/36/84/478653684.db2.gz KNPTVLSBMFYTQA-ZFWWWQNUSA-N 1 3 335.883 2.826 20 0 EFADHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000563880558 478654184 /nfs/dbraw/zinc/65/41/84/478654184.db2.gz XFQCTSRLQIVMMT-UKRRQHHQSA-N 1 3 330.501 2.982 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cnc2c(Cl)cnn2c1 ZINC000582660026 478654299 /nfs/dbraw/zinc/65/42/99/478654299.db2.gz KNPTVLSBMFYTQA-HIFRSBDPSA-N 1 3 335.883 2.826 20 0 EFADHO O=C1CC[C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2N1 ZINC000542470927 478654534 /nfs/dbraw/zinc/65/45/34/478654534.db2.gz LIHGJDOUDMUILG-KXBFYZLASA-N 1 3 343.471 2.551 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000528149629 478660018 /nfs/dbraw/zinc/66/00/18/478660018.db2.gz UJXPBMOBSRDSEU-NZSAHSFTSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717436 478667397 /nfs/dbraw/zinc/66/73/97/478667397.db2.gz SKFVDOAGCZSYIF-JENIJYKNSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717436 478667401 /nfs/dbraw/zinc/66/74/01/478667401.db2.gz SKFVDOAGCZSYIF-JENIJYKNSA-N 1 3 335.536 2.830 20 0 EFADHO Fc1ccc([C@H]2CCC[C@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571754965 478670345 /nfs/dbraw/zinc/67/03/45/478670345.db2.gz BZQWZESYKCSVTN-IAGOWNOFSA-N 1 3 343.450 2.837 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000571875643 478696061 /nfs/dbraw/zinc/69/60/61/478696061.db2.gz UIMFPXXCHOVQEA-AZUAARDMSA-N 1 3 332.488 2.515 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)/C=C\CN(C)C)CCCC1)c1ccccc1 ZINC000491863300 478713016 /nfs/dbraw/zinc/71/30/16/478713016.db2.gz DHJZNHLCRNOAFF-GKUQOKNUSA-N 1 3 329.488 2.884 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000564444998 478743262 /nfs/dbraw/zinc/74/32/62/478743262.db2.gz WQDJKNXOIHYOTD-CTNGQTDRSA-N 1 3 346.515 2.904 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572231058 478782466 /nfs/dbraw/zinc/78/24/66/478782466.db2.gz HUKQTDQMYJKQIQ-PMPSAXMXSA-N 1 3 335.452 2.597 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000543755047 478783891 /nfs/dbraw/zinc/78/38/91/478783891.db2.gz PRYJONSAIKMILG-IAGOWNOFSA-N 1 3 343.519 2.688 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000601338759 478793672 /nfs/dbraw/zinc/79/36/72/478793672.db2.gz ISVCUANZPHSGSI-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000500591700 478793849 /nfs/dbraw/zinc/79/38/49/478793849.db2.gz MHICGCXEUJFMPV-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000500591700 478793856 /nfs/dbraw/zinc/79/38/56/478793856.db2.gz MHICGCXEUJFMPV-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000572356699 478814918 /nfs/dbraw/zinc/81/49/18/478814918.db2.gz SCBUWOPDOBFLJA-MGPQQGTHSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000572356699 478814927 /nfs/dbraw/zinc/81/49/27/478814927.db2.gz SCBUWOPDOBFLJA-MGPQQGTHSA-N 1 3 346.393 2.517 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000572373070 478819902 /nfs/dbraw/zinc/81/99/02/478819902.db2.gz QDAXEMOZJYCTRY-OXQOHEQNSA-N 1 3 331.504 2.934 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000583317613 478821606 /nfs/dbraw/zinc/82/16/06/478821606.db2.gz QOPATPSSJLNGPL-MOPGFXCFSA-N 1 3 334.504 2.753 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000572381421 478824170 /nfs/dbraw/zinc/82/41/70/478824170.db2.gz BKMOMZWDIKFQRE-PKOBYXMFSA-N 1 3 346.519 2.727 20 0 EFADHO CN1CC[NH+](CCCCN[C@@H](c2ccco2)c2ccccc2)CC1 ZINC000544359427 478828988 /nfs/dbraw/zinc/82/89/88/478828988.db2.gz AJSRVGNIXJVCRX-HXUWFJFHSA-N 1 3 327.472 2.986 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845780 478829384 /nfs/dbraw/zinc/82/93/84/478829384.db2.gz XUYHGILKABRJCE-SCWSEQNSSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845780 478829387 /nfs/dbraw/zinc/82/93/87/478829387.db2.gz XUYHGILKABRJCE-SCWSEQNSSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000564845780 478829390 /nfs/dbraw/zinc/82/93/90/478829390.db2.gz XUYHGILKABRJCE-SCWSEQNSSA-N 1 3 344.499 2.515 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000564848809 478830673 /nfs/dbraw/zinc/83/06/73/478830673.db2.gz ZODNXLLHBZKSCO-RBUKOAKNSA-N 1 3 334.504 2.753 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000502855917 478831029 /nfs/dbraw/zinc/83/10/29/478831029.db2.gz BGCOOKQNNTYOTP-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000502855917 478831035 /nfs/dbraw/zinc/83/10/35/478831035.db2.gz BGCOOKQNNTYOTP-SFHVURJKSA-N 1 3 340.556 2.870 20 0 EFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1cccs1 ZINC000564850246 478831447 /nfs/dbraw/zinc/83/14/47/478831447.db2.gz RDWCKEUVQNJDBB-QGZVFWFLSA-N 1 3 338.517 2.622 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268916 478838942 /nfs/dbraw/zinc/83/89/42/478838942.db2.gz YUCFZDNHBJDJEF-YLJYHZDGSA-N 1 3 330.520 2.969 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268916 478838947 /nfs/dbraw/zinc/83/89/47/478838947.db2.gz YUCFZDNHBJDJEF-YLJYHZDGSA-N 1 3 330.520 2.969 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000572494623 478851951 /nfs/dbraw/zinc/85/19/51/478851951.db2.gz BJDKRPZNHJKJSP-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCC[C@@H](C)C1 ZINC000572494623 478851955 /nfs/dbraw/zinc/85/19/55/478851955.db2.gz BJDKRPZNHJKJSP-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494833 478865657 /nfs/dbraw/zinc/86/56/57/478865657.db2.gz HFJGYJCSQCPRLN-GDBMZVCRSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494833 478865666 /nfs/dbraw/zinc/86/56/66/478865666.db2.gz HFJGYJCSQCPRLN-GDBMZVCRSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494833 478865673 /nfs/dbraw/zinc/86/56/73/478865673.db2.gz HFJGYJCSQCPRLN-GDBMZVCRSA-N 1 3 344.421 2.930 20 0 EFADHO O=C(C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC000564973373 478872850 /nfs/dbraw/zinc/87/28/50/478872850.db2.gz CFQPKMMZMNGPAM-ROUUACIJSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973373 478872858 /nfs/dbraw/zinc/87/28/58/478872858.db2.gz CFQPKMMZMNGPAM-ROUUACIJSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973373 478872865 /nfs/dbraw/zinc/87/28/65/478872865.db2.gz CFQPKMMZMNGPAM-ROUUACIJSA-N 1 3 347.478 2.544 20 0 EFADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602635 478878478 /nfs/dbraw/zinc/87/84/78/478878478.db2.gz ZIHYQAUSHVDGJN-PKOBYXMFSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602635 478878480 /nfs/dbraw/zinc/87/84/80/478878480.db2.gz ZIHYQAUSHVDGJN-PKOBYXMFSA-N 1 3 349.494 2.917 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)OCCNC3)CC1 ZINC000528714641 478894436 /nfs/dbraw/zinc/89/44/36/478894436.db2.gz OXJNMZVNVCMUML-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO NC[C@H](C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713201 478901268 /nfs/dbraw/zinc/90/12/68/478901268.db2.gz QIBDXWFHRPTALI-HUUCEWRRSA-N 1 3 330.407 2.618 20 0 EFADHO NC[C@H](C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713201 478901278 /nfs/dbraw/zinc/90/12/78/478901278.db2.gz QIBDXWFHRPTALI-HUUCEWRRSA-N 1 3 330.407 2.618 20 0 EFADHO CCNCCC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572712632 478902415 /nfs/dbraw/zinc/90/24/15/478902415.db2.gz KBAOBDBVVWBUOW-CVEARBPZSA-N 1 3 343.471 2.573 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000507217802 478910074 /nfs/dbraw/zinc/91/00/74/478910074.db2.gz YDABEXOOQJXGQM-UHFFFAOYSA-N 1 3 331.460 2.571 20 0 EFADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000583806566 478946399 /nfs/dbraw/zinc/94/63/99/478946399.db2.gz YVMRZNCRMDQRRL-MFHCWRBVSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCCNC1 ZINC000583806566 478946401 /nfs/dbraw/zinc/94/64/01/478946401.db2.gz YVMRZNCRMDQRRL-MFHCWRBVSA-N 1 3 334.479 2.877 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000565224427 478955610 /nfs/dbraw/zinc/95/56/10/478955610.db2.gz IKJXYJUROLYEOL-CVEARBPZSA-N 1 3 336.476 2.895 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@H]2CCC[C@@H](N)C2)cc1OC ZINC000565224427 478955616 /nfs/dbraw/zinc/95/56/16/478955616.db2.gz IKJXYJUROLYEOL-CVEARBPZSA-N 1 3 336.476 2.895 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@H](N)C3)CCOCC2)cc1 ZINC000565225583 478957511 /nfs/dbraw/zinc/95/75/11/478957511.db2.gz FZTUCUVCGVBPFE-ZWKOTPCHSA-N 1 3 332.488 2.993 20 0 EFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583870343 478960896 /nfs/dbraw/zinc/96/08/96/478960896.db2.gz LYBIRPCQVODTFZ-IPELMVKDSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000565244418 478962395 /nfs/dbraw/zinc/96/23/95/478962395.db2.gz DAMNFZBMQHNMRG-OAHLLOKOSA-N 1 3 330.476 2.574 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299777 478972312 /nfs/dbraw/zinc/97/23/12/478972312.db2.gz LIMSCAHJGYUHBI-PBHICJAKSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299777 478972317 /nfs/dbraw/zinc/97/23/17/478972317.db2.gz LIMSCAHJGYUHBI-PBHICJAKSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299777 478972323 /nfs/dbraw/zinc/97/23/23/478972323.db2.gz LIMSCAHJGYUHBI-PBHICJAKSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299786 478973116 /nfs/dbraw/zinc/97/31/16/478973116.db2.gz LIMSCAHJGYUHBI-WMLDXEAASA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299786 478973122 /nfs/dbraw/zinc/97/31/22/478973122.db2.gz LIMSCAHJGYUHBI-WMLDXEAASA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299786 478973129 /nfs/dbraw/zinc/97/31/29/478973129.db2.gz LIMSCAHJGYUHBI-WMLDXEAASA-N 1 3 342.405 2.683 20 0 EFADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000565358491 478986878 /nfs/dbraw/zinc/98/68/78/478986878.db2.gz DXRBWALBLAHFNK-DGCLKSJQSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000565358491 478986882 /nfs/dbraw/zinc/98/68/82/478986882.db2.gz DXRBWALBLAHFNK-DGCLKSJQSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000565358490 478988118 /nfs/dbraw/zinc/98/81/18/478988118.db2.gz DXRBWALBLAHFNK-AAEUAGOBSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000565358490 478988121 /nfs/dbraw/zinc/98/81/21/478988121.db2.gz DXRBWALBLAHFNK-AAEUAGOBSA-N 1 3 331.287 2.969 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550973 478999545 /nfs/dbraw/zinc/99/95/45/478999545.db2.gz PNEIVAYAMHNJNJ-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550973 478999549 /nfs/dbraw/zinc/99/95/49/478999549.db2.gz PNEIVAYAMHNJNJ-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000565416917 479003313 /nfs/dbraw/zinc/00/33/13/479003313.db2.gz KENCLXRZMAHWRD-GVDBMIGSSA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000565416917 479003319 /nfs/dbraw/zinc/00/33/19/479003319.db2.gz KENCLXRZMAHWRD-GVDBMIGSSA-N 1 3 340.895 2.680 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000584087139 479009550 /nfs/dbraw/zinc/00/95/50/479009550.db2.gz CSAFWAQNBGHJBY-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000584087139 479009556 /nfs/dbraw/zinc/00/95/56/479009556.db2.gz CSAFWAQNBGHJBY-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513911189 479016474 /nfs/dbraw/zinc/01/64/74/479016474.db2.gz LXTVTGODNALLRI-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513911189 479016478 /nfs/dbraw/zinc/01/64/78/479016478.db2.gz LXTVTGODNALLRI-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2ccccc2OC(F)(F)F)C1 ZINC000565489988 479020663 /nfs/dbraw/zinc/02/06/63/479020663.db2.gz FKGJTOVGKMGPIF-YUELXQCFSA-N 1 3 346.393 2.596 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1C ZINC000514588724 479028999 /nfs/dbraw/zinc/02/89/99/479028999.db2.gz UICBFOPKFPLOMH-OALUTQOASA-N 1 3 334.508 2.628 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 ZINC000565557869 479035639 /nfs/dbraw/zinc/03/56/39/479035639.db2.gz SZKRJCQSZFGDTE-APWZRJJASA-N 1 3 346.519 2.770 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000514724900 479056091 /nfs/dbraw/zinc/05/60/91/479056091.db2.gz HYSRNNDHZGQNEN-IEBWSBKVSA-N 1 3 331.504 2.964 20 0 EFADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000546934251 479081328 /nfs/dbraw/zinc/08/13/28/479081328.db2.gz UPYZKNFBTFQXDL-HLAWJBBLSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000546934251 479081334 /nfs/dbraw/zinc/08/13/34/479081334.db2.gz UPYZKNFBTFQXDL-HLAWJBBLSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000546934251 479081344 /nfs/dbraw/zinc/08/13/44/479081344.db2.gz UPYZKNFBTFQXDL-HLAWJBBLSA-N 1 3 338.499 2.853 20 0 EFADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000584289418 479082226 /nfs/dbraw/zinc/08/22/26/479082226.db2.gz KEZYXZODBNPXGY-QXAKKESOSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000584302416 479088661 /nfs/dbraw/zinc/08/86/61/479088661.db2.gz CZEPLZZVBSPLHZ-IEBWSBKVSA-N 1 3 346.519 2.886 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933468 479092773 /nfs/dbraw/zinc/09/27/73/479092773.db2.gz XYESWAICCFGAPO-TZIWHRDSSA-N 1 3 342.458 2.841 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933468 479092782 /nfs/dbraw/zinc/09/27/82/479092782.db2.gz XYESWAICCFGAPO-TZIWHRDSSA-N 1 3 342.458 2.841 20 0 EFADHO C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC[C@@H]1O ZINC000514930723 479092994 /nfs/dbraw/zinc/09/29/94/479092994.db2.gz OKJGDMXHVYSITC-GSEOLPGOSA-N 1 3 330.472 2.773 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933467 479093173 /nfs/dbraw/zinc/09/31/73/479093173.db2.gz XYESWAICCFGAPO-PZJWPPBQSA-N 1 3 342.458 2.841 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933467 479093176 /nfs/dbraw/zinc/09/31/76/479093176.db2.gz XYESWAICCFGAPO-PZJWPPBQSA-N 1 3 342.458 2.841 20 0 EFADHO C[C@](O)(C[NH2+]CC1CCN(Cc2cccs2)CC1)C(F)(F)F ZINC000515165788 479125411 /nfs/dbraw/zinc/12/54/11/479125411.db2.gz GZWHEQDSGIIMIH-AWEZNQCLSA-N 1 3 336.423 2.863 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584463683 479142500 /nfs/dbraw/zinc/14/25/00/479142500.db2.gz GIHPGBXFDSYNTO-RTBURBONSA-N 1 3 340.471 2.575 20 0 EFADHO CC(C)(C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)CN1CCCC1 ZINC000584465593 479144178 /nfs/dbraw/zinc/14/41/78/479144178.db2.gz QSNGJPWRPWDLAW-INIZCTEOSA-N 1 3 345.487 2.619 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1CCOC[C@@H]1CCCO1 ZINC000573803040 479146732 /nfs/dbraw/zinc/14/67/32/479146732.db2.gz CBXVNYGLCVHRQD-ACRUOGEOSA-N 1 3 346.515 2.854 20 0 EFADHO CC(C)(CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCCCC1 ZINC000569675226 479152461 /nfs/dbraw/zinc/15/24/61/479152461.db2.gz XFEANMLUKTVWRA-UHFFFAOYSA-N 1 3 330.476 2.718 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000569697719 479159749 /nfs/dbraw/zinc/15/97/49/479159749.db2.gz VBTBSZSNOFSPGR-JOUKPKRSSA-N 1 3 345.487 2.849 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1nc(C(C)C)n2ccccc12 ZINC000573974415 479186936 /nfs/dbraw/zinc/18/69/36/479186936.db2.gz VVUDRAPESCBOGT-MRXNPFEDSA-N 1 3 332.492 2.904 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000569837125 479189946 /nfs/dbraw/zinc/18/99/46/479189946.db2.gz IIESLVVVAHGXLB-RTBURBONSA-N 1 3 334.504 2.699 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000569837122 479190290 /nfs/dbraw/zinc/19/02/90/479190290.db2.gz IIESLVVVAHGXLB-MOPGFXCFSA-N 1 3 334.504 2.699 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837051 479190377 /nfs/dbraw/zinc/19/03/77/479190377.db2.gz GORNLHVKWGRCRL-GDBMZVCRSA-N 1 3 325.403 2.756 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837051 479190383 /nfs/dbraw/zinc/19/03/83/479190383.db2.gz GORNLHVKWGRCRL-GDBMZVCRSA-N 1 3 325.403 2.756 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837055 479190905 /nfs/dbraw/zinc/19/09/05/479190905.db2.gz GORNLHVKWGRCRL-HOCLYGCPSA-N 1 3 325.403 2.756 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837055 479190914 /nfs/dbraw/zinc/19/09/14/479190914.db2.gz GORNLHVKWGRCRL-HOCLYGCPSA-N 1 3 325.403 2.756 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000574069893 479209760 /nfs/dbraw/zinc/20/97/60/479209760.db2.gz APGOPJVLFCJHGW-NVXWUHKLSA-N 1 3 346.471 2.571 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNCCC(=O)Nc1ccccc1 ZINC000574072684 479210541 /nfs/dbraw/zinc/21/05/41/479210541.db2.gz ZFOBVMCVOHCICC-UHFFFAOYSA-N 1 3 341.455 2.745 20 0 EFADHO C[C@H](CCc1ccccc1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000556889665 479234079 /nfs/dbraw/zinc/23/40/79/479234079.db2.gz OMCABQAIONPFGC-GOSISDBHSA-N 1 3 331.504 2.590 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000574170091 479235359 /nfs/dbraw/zinc/23/53/59/479235359.db2.gz KGUYJLPIMRQNAQ-ILXRZTDVSA-N 1 3 338.293 2.887 20 0 EFADHO N[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1 ZINC000584770430 479236182 /nfs/dbraw/zinc/23/61/82/479236182.db2.gz RCSPKMNHLPSIAS-OALUTQOASA-N 1 3 344.503 2.783 20 0 EFADHO N[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccccc1 ZINC000584770430 479236186 /nfs/dbraw/zinc/23/61/86/479236186.db2.gz RCSPKMNHLPSIAS-OALUTQOASA-N 1 3 344.503 2.783 20 0 EFADHO Cc1cc(N2CCC(N[C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)nc(C)n1 ZINC000556952142 479242463 /nfs/dbraw/zinc/24/24/63/479242463.db2.gz VTCXUWWMGPOSSN-DNVCBOLYSA-N 1 3 345.535 2.963 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000574260460 479250530 /nfs/dbraw/zinc/25/05/30/479250530.db2.gz JMTCYUOODOGUKQ-PKOBYXMFSA-N 1 3 344.503 2.594 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000574257926 479250594 /nfs/dbraw/zinc/25/05/94/479250594.db2.gz GFOWLQNOFBJBNB-UHFFFAOYSA-N 1 3 341.499 2.662 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000574276149 479254885 /nfs/dbraw/zinc/25/48/85/479254885.db2.gz JYIILUIIEOXHKM-AWEZNQCLSA-N 1 3 329.444 2.756 20 0 EFADHO COC(=O)CCCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000599347888 479263422 /nfs/dbraw/zinc/26/34/22/479263422.db2.gz VWANMAROJYXQCL-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO COC(=O)CCCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000599347888 479263427 /nfs/dbraw/zinc/26/34/27/479263427.db2.gz VWANMAROJYXQCL-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(C)n3)CC2)CC1 ZINC000557447860 479279429 /nfs/dbraw/zinc/27/94/29/479279429.db2.gz CMOJNQADOSTFEJ-UHFFFAOYSA-N 1 3 330.476 2.525 20 0 EFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1c(F)cccc1Cl)C1CC1 ZINC000574444984 479287278 /nfs/dbraw/zinc/28/72/78/479287278.db2.gz KTSDRXATAZXVAS-CYBMUJFWSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1c(F)cccc1Cl)C1CC1 ZINC000574444984 479287285 /nfs/dbraw/zinc/28/72/85/479287285.db2.gz KTSDRXATAZXVAS-CYBMUJFWSA-N 1 3 328.859 2.801 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000593317672 479290893 /nfs/dbraw/zinc/29/08/93/479290893.db2.gz UUDNZHCBHNRCTD-RVKKMQEKSA-N 1 3 334.460 2.576 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)oc1C ZINC000574799929 479350496 /nfs/dbraw/zinc/35/04/96/479350496.db2.gz YZBCPSRRCQELSG-YJBOKZPZSA-N 1 3 334.508 2.624 20 0 EFADHO Cc1nc(CN2CCC(CN[C@@H](C)[C@@H]3CCCC[NH2+]3)CC2)oc1C ZINC000574799929 479350502 /nfs/dbraw/zinc/35/05/02/479350502.db2.gz YZBCPSRRCQELSG-YJBOKZPZSA-N 1 3 334.508 2.624 20 0 EFADHO CC[N@H+](CCNC(=O)N1CCN(CC2CCCCC2)CC1)C(C)C ZINC000588304265 479414534 /nfs/dbraw/zinc/41/45/34/479414534.db2.gz ILAOJNWANBSWBP-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@@H+](CCNC(=O)N1CCN(CC2CCCCC2)CC1)C(C)C ZINC000588304265 479414539 /nfs/dbraw/zinc/41/45/39/479414539.db2.gz ILAOJNWANBSWBP-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)N1CCc2ccccc2C1 ZINC000575177730 479415904 /nfs/dbraw/zinc/41/59/04/479415904.db2.gz UILVRPCFDIFUDC-NSISKUIASA-N 1 3 343.515 2.574 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000575350492 479434584 /nfs/dbraw/zinc/43/45/84/479434584.db2.gz JXRGUHJUIOXYCN-UHFFFAOYSA-N 1 3 344.503 2.918 20 0 EFADHO Cc1c([C@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000575372889 479434940 /nfs/dbraw/zinc/43/49/40/479434940.db2.gz BWDXRRRQNYTCPV-GXTWGEPZSA-N 1 3 333.867 2.879 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000575355099 479435638 /nfs/dbraw/zinc/43/56/38/479435638.db2.gz XVPOCQRDJLMRGS-GOSISDBHSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000575399138 479438085 /nfs/dbraw/zinc/43/80/85/479438085.db2.gz QSWUSEKRJOQMHU-RZLSGREXSA-N 1 3 338.521 2.556 20 0 EFADHO CC(C)CN1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000575822290 479482100 /nfs/dbraw/zinc/48/21/00/479482100.db2.gz KNSNMKMEBBJJIC-AWEZNQCLSA-N 1 3 331.460 2.789 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000575970662 479512808 /nfs/dbraw/zinc/51/28/08/479512808.db2.gz IHPNXZNUWXQHHY-MJGOQNOKSA-N 1 3 340.471 2.795 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000618662496 479539844 /nfs/dbraw/zinc/53/98/44/479539844.db2.gz ZMFQKNFEXRJBHK-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000618662496 479539854 /nfs/dbraw/zinc/53/98/54/479539854.db2.gz ZMFQKNFEXRJBHK-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@@](C)(CO)c2ccccc2)cc1 ZINC000604765240 479565543 /nfs/dbraw/zinc/56/55/43/479565543.db2.gz NBYCGNXOQVPPBQ-FQEVSTJZSA-N 1 3 328.456 2.624 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000578865478 479621996 /nfs/dbraw/zinc/62/19/96/479621996.db2.gz QNTZSYUTALGCCX-IMBTUZDBSA-N 1 3 346.519 2.807 20 0 EFADHO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000597236676 479636554 /nfs/dbraw/zinc/63/65/54/479636554.db2.gz WXAAQJWJFNYEGJ-UYAOXDASSA-N 1 3 348.487 2.839 20 0 EFADHO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000597237621 479637223 /nfs/dbraw/zinc/63/72/23/479637223.db2.gz ACZQHMREEDWQAH-PKOBYXMFSA-N 1 3 331.460 2.762 20 0 EFADHO CCOc1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000578966579 479639694 /nfs/dbraw/zinc/63/96/94/479639694.db2.gz NNYRRWODWHWQQE-FXAWDEMLSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615318166 479655861 /nfs/dbraw/zinc/65/58/61/479655861.db2.gz IYDZPUDADKAOHJ-APWZRJJASA-N 1 3 329.488 2.837 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000579088073 479658249 /nfs/dbraw/zinc/65/82/49/479658249.db2.gz SVKWOLDVQYZZOK-UYAOXDASSA-N 1 3 340.471 2.795 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000605989020 479673093 /nfs/dbraw/zinc/67/30/93/479673093.db2.gz WFXHSLRLSHPBOE-GOSISDBHSA-N 1 3 338.540 2.863 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606699467 479726824 /nfs/dbraw/zinc/72/68/24/479726824.db2.gz ODXPCFOYMGZPOZ-AWEZNQCLSA-N 1 3 348.491 2.609 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642593 479734929 /nfs/dbraw/zinc/73/49/29/479734929.db2.gz QZJHHRKYILFIJI-LMMKCTJWSA-N 1 3 329.488 2.718 20 0 EFADHO CC[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642377 479735464 /nfs/dbraw/zinc/73/54/64/479735464.db2.gz LORVNEQFTXVOBQ-YLJYHZDGSA-N 1 3 343.515 2.719 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000630840748 479737670 /nfs/dbraw/zinc/73/76/70/479737670.db2.gz FVSCGABLVGNDJK-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000630840748 479737675 /nfs/dbraw/zinc/73/76/75/479737675.db2.gz FVSCGABLVGNDJK-SLFFLAALSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653998 479738212 /nfs/dbraw/zinc/73/82/12/479738212.db2.gz MMCULVVHHUXZTR-HXUWFJFHSA-N 1 3 345.531 2.789 20 0 EFADHO NC[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000621656586 479739519 /nfs/dbraw/zinc/73/95/19/479739519.db2.gz SMXGWBLVWJSNKS-BEFAXECRSA-N 1 3 325.456 2.736 20 0 EFADHO NC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000621656589 479739612 /nfs/dbraw/zinc/73/96/12/479739612.db2.gz SMXGWBLVWJSNKS-KXBFYZLASA-N 1 3 325.456 2.736 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccco1 ZINC000625024117 479741237 /nfs/dbraw/zinc/74/12/37/479741237.db2.gz IGWRBHDWEFXMMZ-DLBZAZTESA-N 1 3 335.492 2.648 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccco1 ZINC000625024117 479741246 /nfs/dbraw/zinc/74/12/46/479741246.db2.gz IGWRBHDWEFXMMZ-DLBZAZTESA-N 1 3 335.492 2.648 20 0 EFADHO C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1CO ZINC000621736987 479776640 /nfs/dbraw/zinc/77/66/40/479776640.db2.gz JWQFFJQJNLNUBZ-HKUYNNGSSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@H]1CO ZINC000621736987 479776645 /nfs/dbraw/zinc/77/66/45/479776645.db2.gz JWQFFJQJNLNUBZ-HKUYNNGSSA-N 1 3 345.531 2.667 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000633341223 479778065 /nfs/dbraw/zinc/77/80/65/479778065.db2.gz FCLFKZPVGACPNY-QZTJIDSGSA-N 1 3 348.535 2.663 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000633343722 479779379 /nfs/dbraw/zinc/77/93/79/479779379.db2.gz SJNFCUPKGHYMMT-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000628158437 479790218 /nfs/dbraw/zinc/79/02/18/479790218.db2.gz NUESYGSBILZWDL-KZNAEPCWSA-N 1 3 325.566 2.763 20 0 EFADHO CC(C)[C@@H](CNC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000607232417 479792070 /nfs/dbraw/zinc/79/20/70/479792070.db2.gz BDCDVQSVPWVZOZ-LJQANCHMSA-N 1 3 348.535 2.561 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000633372021 479795198 /nfs/dbraw/zinc/79/51/98/479795198.db2.gz JLADTJNRQXTNQE-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H]1CN(Cc2ccc3[nH]ccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000628186521 479802188 /nfs/dbraw/zinc/80/21/88/479802188.db2.gz NGMGFEDYVHDYEG-JXFKEZNVSA-N 1 3 326.488 2.626 20 0 EFADHO CN(Cc1ccc2[nH]ccc2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000628278827 479838094 /nfs/dbraw/zinc/83/80/94/479838094.db2.gz JDIPXIAVVFUWFC-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1ccc2[nH]ccc2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000628278827 479838096 /nfs/dbraw/zinc/83/80/96/479838096.db2.gz JDIPXIAVVFUWFC-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631050449 479858997 /nfs/dbraw/zinc/85/89/97/479858997.db2.gz ZPBKPGBQDMWZEJ-QGZVFWFLSA-N 1 3 331.504 2.986 20 0 EFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631601639 480176873 /nfs/dbraw/zinc/17/68/73/480176873.db2.gz JJTIYZPAHYPZBZ-HSALFYBXSA-N 1 3 329.488 2.817 20 0 EFADHO O[C@@H]1CC[N@H+](Cc2ccccc2CN[C@H]2CCCc3ncccc32)C1 ZINC000631616173 480183885 /nfs/dbraw/zinc/18/38/85/480183885.db2.gz GBBCKAANWWDIFP-NQIIRXRSSA-N 1 3 337.467 2.815 20 0 EFADHO O[C@@H]1CC[N@@H+](Cc2ccccc2CN[C@H]2CCCc3ncccc32)C1 ZINC000631616173 480183889 /nfs/dbraw/zinc/18/38/89/480183889.db2.gz GBBCKAANWWDIFP-NQIIRXRSSA-N 1 3 337.467 2.815 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000631664159 480205240 /nfs/dbraw/zinc/20/52/40/480205240.db2.gz MGHZXOJQRWYLII-HKUYNNGSSA-N 1 3 327.516 2.971 20 0 EFADHO COC[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631664924 480206810 /nfs/dbraw/zinc/20/68/10/480206810.db2.gz SHHHTIOGXLYJQV-QMMLZNLJSA-N 1 3 346.515 2.786 20 0 EFADHO COC1([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000631664946 480206951 /nfs/dbraw/zinc/20/69/51/480206951.db2.gz SRHFDVNGQIKQLH-BJLQDIEVSA-N 1 3 346.515 2.928 20 0 EFADHO c1c(CN[C@H]2CCCC[C@H]2c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000629414094 480247955 /nfs/dbraw/zinc/24/79/55/480247955.db2.gz CPWXQMLQRFWPBW-FHWLQOOXSA-N 1 3 325.460 2.629 20 0 EFADHO c1c(CNC2CCC(c3ccccc3)CC2)nnn1[C@H]1CC[NH2+]C1 ZINC000629414204 480248159 /nfs/dbraw/zinc/24/81/59/480248159.db2.gz FSIGTOMVSHRWMK-TVPLGVNVSA-N 1 3 325.460 2.629 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629531961 480296455 /nfs/dbraw/zinc/29/64/55/480296455.db2.gz FZSLZWMNVWZTOJ-BXUZGUMPSA-N 1 3 327.831 2.692 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000629532124 480296548 /nfs/dbraw/zinc/29/65/48/480296548.db2.gz MXPPLWKDGDREBG-YQVWRLOYSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1nc(C(C)C)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000629537589 480298156 /nfs/dbraw/zinc/29/81/56/480298156.db2.gz KCVICDRIVKINEA-MJGOQNOKSA-N 1 3 329.488 2.714 20 0 EFADHO [NH3+]CCOCCN1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629547803 480299717 /nfs/dbraw/zinc/29/97/17/480299717.db2.gz FZQWPFRJYHICLL-CQSZACIVSA-N 1 3 345.306 2.591 20 0 EFADHO Clc1ccc([C@@H]2CC[C@H](NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)cc1 ZINC000629548635 480300725 /nfs/dbraw/zinc/30/07/25/480300725.db2.gz HTAUVKLDVVBFJK-UWWQBHOKSA-N 1 3 345.878 2.892 20 0 EFADHO Clc1cccc([C@@H]2CC[C@H](NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)c1 ZINC000629548621 480301254 /nfs/dbraw/zinc/30/12/54/480301254.db2.gz HSASIDNNFOCRRN-UWWQBHOKSA-N 1 3 345.878 2.892 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC000629554993 480304188 /nfs/dbraw/zinc/30/41/88/480304188.db2.gz PIGVGLLWZSTATQ-YZGWKJHDSA-N 1 3 334.504 2.855 20 0 EFADHO O[C@H](CNCCCOc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629558467 480305354 /nfs/dbraw/zinc/30/53/54/480305354.db2.gz IFAKJCVQZZMQJD-CQSZACIVSA-N 1 3 347.286 2.809 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000623485738 480306531 /nfs/dbraw/zinc/30/65/31/480306531.db2.gz YZEZPWURKSSMBP-LJQANCHMSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000623485738 480306534 /nfs/dbraw/zinc/30/65/34/480306534.db2.gz YZEZPWURKSSMBP-LJQANCHMSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1cc(CNCC2(C)CC[NH+](C)CC2)ncc1Br ZINC000623487411 480307213 /nfs/dbraw/zinc/30/72/13/480307213.db2.gz AQYGXXVNKLNJEP-UHFFFAOYSA-N 1 3 326.282 2.974 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)CN1CCCC1 ZINC000629558616 480307196 /nfs/dbraw/zinc/30/71/96/480307196.db2.gz KNHZXXCSUWXGSO-WMLDXEAASA-N 1 3 340.414 2.712 20 0 EFADHO O[C@H](C[NH2+]CCOCc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000629573283 480313127 /nfs/dbraw/zinc/31/31/27/480313127.db2.gz DHLTZOHGQLKWKK-OAHLLOKOSA-N 1 3 347.286 2.556 20 0 EFADHO COC1(CNC[C@@H](O)C[NH+]2CCCC2)CCC(c2ccccc2)CC1 ZINC000629580427 480313456 /nfs/dbraw/zinc/31/34/56/480313456.db2.gz BQSFGDVBXDZNNN-NYLDSWQDSA-N 1 3 346.515 2.776 20 0 EFADHO COC[C@H](C)[N@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000629590414 480320005 /nfs/dbraw/zinc/32/00/05/480320005.db2.gz YSGPOUMMSRTJAZ-WDYCEAGBSA-N 1 3 330.472 2.532 20 0 EFADHO COC[C@H](C)[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@H]1CCc2ccccc21 ZINC000629590414 480320010 /nfs/dbraw/zinc/32/00/10/480320010.db2.gz YSGPOUMMSRTJAZ-WDYCEAGBSA-N 1 3 330.472 2.532 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103388 480334102 /nfs/dbraw/zinc/33/41/02/480334102.db2.gz AUNXGVCXKXVICF-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103388 480334107 /nfs/dbraw/zinc/33/41/07/480334107.db2.gz AUNXGVCXKXVICF-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000621105165 480335548 /nfs/dbraw/zinc/33/55/48/480335548.db2.gz MWFSAZUEJLWOLA-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000621105165 480335551 /nfs/dbraw/zinc/33/55/51/480335551.db2.gz MWFSAZUEJLWOLA-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO c1[nH]nc2cccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c12 ZINC000623564547 480341586 /nfs/dbraw/zinc/34/15/86/480341586.db2.gz ITMTYCWSSGETBE-UHFFFAOYSA-N 1 3 335.455 2.960 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629647821 480342356 /nfs/dbraw/zinc/34/23/56/480342356.db2.gz BGZOWXFNPQSCKI-AZUAARDMSA-N 1 3 328.456 2.681 20 0 EFADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623564826 480343382 /nfs/dbraw/zinc/34/33/82/480343382.db2.gz SKGAPJPCCCRKPH-IBGZPJMESA-N 1 3 330.520 2.756 20 0 EFADHO CN(C)CCn1cc(-c2cccc(OCC[NH+]3CCCCC3)c2)cn1 ZINC000629697139 480360570 /nfs/dbraw/zinc/36/05/70/480360570.db2.gz BUIJZNKPRLOKNU-UHFFFAOYSA-N 1 3 342.487 2.976 20 0 EFADHO CNCC(=O)Nc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000629702972 480362518 /nfs/dbraw/zinc/36/25/18/480362518.db2.gz YKOSRLJBUWZDGZ-HNNXBMFYSA-N 1 3 338.455 2.891 20 0 EFADHO CNCC(=O)Nc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000629702972 480362522 /nfs/dbraw/zinc/36/25/22/480362522.db2.gz YKOSRLJBUWZDGZ-HNNXBMFYSA-N 1 3 338.455 2.891 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2cccc([C@@H]3CNCCO3)c2)c1 ZINC000629700883 480363069 /nfs/dbraw/zinc/36/30/69/480363069.db2.gz QBZUUFFNAKSXLZ-FQEVSTJZSA-N 1 3 326.440 2.955 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000644532062 480421430 /nfs/dbraw/zinc/42/14/30/480421430.db2.gz YFVCSDVAGJAESO-RBUKOAKNSA-N 1 3 334.504 2.753 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC(C)(C)C ZINC000635511832 480431668 /nfs/dbraw/zinc/43/16/68/480431668.db2.gz OFNSURRLIFSVAK-IBGZPJMESA-N 1 3 345.531 2.645 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)CC(C)(C)C ZINC000635511832 480431677 /nfs/dbraw/zinc/43/16/77/480431677.db2.gz OFNSURRLIFSVAK-IBGZPJMESA-N 1 3 345.531 2.645 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000635526174 480439927 /nfs/dbraw/zinc/43/99/27/480439927.db2.gz OAAJZUQJRMGUAJ-WDSOQIARSA-N 1 3 344.503 2.640 20 0 EFADHO Cc1nc(CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000634708449 480449667 /nfs/dbraw/zinc/44/96/67/480449667.db2.gz VECGABAVBAFZRD-IBGZPJMESA-N 1 3 345.512 2.529 20 0 EFADHO Cc1nc(CCNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000634708449 480449674 /nfs/dbraw/zinc/44/96/74/480449674.db2.gz VECGABAVBAFZRD-IBGZPJMESA-N 1 3 345.512 2.529 20 0 EFADHO Cc1nc(CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)sc1C ZINC000634708450 480450788 /nfs/dbraw/zinc/45/07/88/480450788.db2.gz VECGABAVBAFZRD-LJQANCHMSA-N 1 3 345.512 2.529 20 0 EFADHO Cc1nc(CCNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)sc1C ZINC000634708450 480450797 /nfs/dbraw/zinc/45/07/97/480450797.db2.gz VECGABAVBAFZRD-LJQANCHMSA-N 1 3 345.512 2.529 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000634724385 480466998 /nfs/dbraw/zinc/46/69/98/480466998.db2.gz OWDRCLRGVWKYRU-KBMXLJTQSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC(F)(F)F ZINC000634724385 480467002 /nfs/dbraw/zinc/46/70/02/480467002.db2.gz OWDRCLRGVWKYRU-KBMXLJTQSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC(F)(F)F ZINC000634724385 480467013 /nfs/dbraw/zinc/46/70/13/480467013.db2.gz OWDRCLRGVWKYRU-KBMXLJTQSA-N 1 3 330.394 2.657 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)C1=CCN(C)CC1 ZINC000644618390 480477498 /nfs/dbraw/zinc/47/74/98/480477498.db2.gz CHBXEJSWGGKQOS-NBHGPNQESA-N 1 3 344.499 2.682 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccccc1 ZINC000635589559 480484016 /nfs/dbraw/zinc/48/40/16/480484016.db2.gz QCDISDFBBIFDBF-IEBWSBKVSA-N 1 3 343.515 2.840 20 0 EFADHO CN(CC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CCC1 ZINC000629991702 480498078 /nfs/dbraw/zinc/49/80/78/480498078.db2.gz HNWFEHFQJMPUEW-HNNXBMFYSA-N 1 3 337.895 2.586 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000629990883 480498141 /nfs/dbraw/zinc/49/81/41/480498141.db2.gz XVKYCSQJVOVVHT-LJQANCHMSA-N 1 3 343.515 2.888 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629995616 480501469 /nfs/dbraw/zinc/50/14/69/480501469.db2.gz DIMWFPHWAXCENT-QGZVFWFLSA-N 1 3 335.517 2.612 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C[N@H+](C)C2CCC2)N(C)C)cc1 ZINC000629995616 480501476 /nfs/dbraw/zinc/50/14/76/480501476.db2.gz DIMWFPHWAXCENT-QGZVFWFLSA-N 1 3 335.517 2.612 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C[N@@H+](C)C2CCC2)N(C)C)cc1 ZINC000629995616 480501480 /nfs/dbraw/zinc/50/14/80/480501480.db2.gz DIMWFPHWAXCENT-QGZVFWFLSA-N 1 3 335.517 2.612 20 0 EFADHO Cc1cccc([C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)c1 ZINC000623888645 480504082 /nfs/dbraw/zinc/50/40/82/480504082.db2.gz OLPOCZITPWUCKS-MOPGFXCFSA-N 1 3 331.504 2.869 20 0 EFADHO Cc1cccc([C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)C)c1 ZINC000623888645 480504092 /nfs/dbraw/zinc/50/40/92/480504092.db2.gz OLPOCZITPWUCKS-MOPGFXCFSA-N 1 3 331.504 2.869 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000638063706 480504529 /nfs/dbraw/zinc/50/45/29/480504529.db2.gz OVCUICBOFLHGIN-ZAAXVRCTSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000638063706 480504533 /nfs/dbraw/zinc/50/45/33/480504533.db2.gz OVCUICBOFLHGIN-ZAAXVRCTSA-N 1 3 345.487 2.767 20 0 EFADHO CN(Cc1ccccc1)C[C@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC000644681009 480515755 /nfs/dbraw/zinc/51/57/55/480515755.db2.gz AHSOLGAOZPLAPT-HXUWFJFHSA-N 1 3 327.472 2.653 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638079710 480517328 /nfs/dbraw/zinc/51/73/28/480517328.db2.gz GXRNOTZZHQEUIS-RTBURBONSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638079710 480517333 /nfs/dbraw/zinc/51/73/33/480517333.db2.gz GXRNOTZZHQEUIS-RTBURBONSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638079700 480517928 /nfs/dbraw/zinc/51/79/28/480517928.db2.gz GXRNOTZZHQEUIS-OALUTQOASA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000638079700 480517936 /nfs/dbraw/zinc/51/79/36/480517936.db2.gz GXRNOTZZHQEUIS-OALUTQOASA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638111207 480540671 /nfs/dbraw/zinc/54/06/71/480540671.db2.gz LFVALQWUJSIBPP-RTBURBONSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638111207 480540676 /nfs/dbraw/zinc/54/06/76/480540676.db2.gz LFVALQWUJSIBPP-RTBURBONSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000621502338 480557567 /nfs/dbraw/zinc/55/75/67/480557567.db2.gz FADWZKCQXCEILF-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000621502338 480557574 /nfs/dbraw/zinc/55/75/74/480557574.db2.gz FADWZKCQXCEILF-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638152535 480569893 /nfs/dbraw/zinc/56/98/93/480569893.db2.gz LTQNJHWVWUOWQA-HKUYNNGSSA-N 1 3 325.541 2.538 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000644843162 480606984 /nfs/dbraw/zinc/60/69/84/480606984.db2.gz XHCYMZUMDJNMFU-LJQANCHMSA-N 1 3 326.444 2.613 20 0 EFADHO COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000644843162 480606988 /nfs/dbraw/zinc/60/69/88/480606988.db2.gz XHCYMZUMDJNMFU-LJQANCHMSA-N 1 3 326.444 2.613 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624119817 480618832 /nfs/dbraw/zinc/61/88/32/480618832.db2.gz KKNOPLHKGJKZNC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624119817 480618839 /nfs/dbraw/zinc/61/88/39/480618839.db2.gz KKNOPLHKGJKZNC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119817 480618846 /nfs/dbraw/zinc/61/88/46/480618846.db2.gz KKNOPLHKGJKZNC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000624119893 480618916 /nfs/dbraw/zinc/61/89/16/480618916.db2.gz LUEFUOQOTJRKIC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119893 480618922 /nfs/dbraw/zinc/61/89/22/480618922.db2.gz LUEFUOQOTJRKIC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119893 480618930 /nfs/dbraw/zinc/61/89/30/480618930.db2.gz LUEFUOQOTJRKIC-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354642 480637532 /nfs/dbraw/zinc/63/75/32/480637532.db2.gz FHDNKYTYCNBPRZ-GGPKGHCWSA-N 1 3 343.515 2.635 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354642 480637538 /nfs/dbraw/zinc/63/75/38/480637538.db2.gz FHDNKYTYCNBPRZ-GGPKGHCWSA-N 1 3 343.515 2.635 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618354052 480638681 /nfs/dbraw/zinc/63/86/81/480638681.db2.gz SKJKCVWLWNIWHX-HKUYNNGSSA-N 1 3 345.531 2.929 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000618354645 480641294 /nfs/dbraw/zinc/64/12/94/480641294.db2.gz FHDNKYTYCNBPRZ-WSTZPKSXSA-N 1 3 343.515 2.635 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000618354645 480641301 /nfs/dbraw/zinc/64/13/01/480641301.db2.gz FHDNKYTYCNBPRZ-WSTZPKSXSA-N 1 3 343.515 2.635 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000638278551 480641490 /nfs/dbraw/zinc/64/14/90/480641490.db2.gz ILKDGYISZMURTP-HXUWFJFHSA-N 1 3 345.531 2.648 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC000638293275 480648639 /nfs/dbraw/zinc/64/86/39/480648639.db2.gz LTMIYIXJSZGPSC-GOSISDBHSA-N 1 3 349.519 2.632 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC000638293276 480648995 /nfs/dbraw/zinc/64/89/95/480648995.db2.gz LTMIYIXJSZGPSC-SFHVURJKSA-N 1 3 349.519 2.632 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC000635851109 480665893 /nfs/dbraw/zinc/66/58/93/480665893.db2.gz QMCUUYDMBRZHHU-MJGOQNOKSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000634999915 480681003 /nfs/dbraw/zinc/68/10/03/480681003.db2.gz CFKBNGDMIHNCFG-HNNXBMFYSA-N 1 3 339.365 2.511 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](n2cc(CN)nn2)C1 ZINC000634999915 480681006 /nfs/dbraw/zinc/68/10/06/480681006.db2.gz CFKBNGDMIHNCFG-HNNXBMFYSA-N 1 3 339.365 2.511 20 0 EFADHO NCc1cn([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000635000407 480681353 /nfs/dbraw/zinc/68/13/53/480681353.db2.gz NNBSAWYPDVIZHO-KRWDZBQOSA-N 1 3 339.468 2.912 20 0 EFADHO NCc1cn([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000635000407 480681361 /nfs/dbraw/zinc/68/13/61/480681361.db2.gz NNBSAWYPDVIZHO-KRWDZBQOSA-N 1 3 339.468 2.912 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000635000337 480681575 /nfs/dbraw/zinc/68/15/75/480681575.db2.gz MKRYLOGROBUCTR-AWEZNQCLSA-N 1 3 339.365 2.511 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](n3cc(CN)nn3)C2)ccc1C(F)(F)F ZINC000635000337 480681579 /nfs/dbraw/zinc/68/15/79/480681579.db2.gz MKRYLOGROBUCTR-AWEZNQCLSA-N 1 3 339.365 2.511 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638359142 480682811 /nfs/dbraw/zinc/68/28/11/480682811.db2.gz HEJXJHMIOBLLSM-UHFFFAOYSA-N 1 3 348.441 2.630 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccnn1-c1ccccc1 ZINC000635008848 480684576 /nfs/dbraw/zinc/68/45/76/480684576.db2.gz LAFLRSKJYFIYMZ-INIZCTEOSA-N 1 3 348.454 2.850 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1nc2ccccc2n1C ZINC000635007765 480684773 /nfs/dbraw/zinc/68/47/73/480684773.db2.gz GPXZJIPINCUPHV-CQSZACIVSA-N 1 3 336.443 2.551 20 0 EFADHO c1ccc2c(c1)CCSC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008961 480684862 /nfs/dbraw/zinc/68/48/62/480684862.db2.gz LJAXALCIQXAJRN-SFHVURJKSA-N 1 3 340.496 2.934 20 0 EFADHO Fc1cc2c(c(F)c1)CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007709 480685666 /nfs/dbraw/zinc/68/56/66/480685666.db2.gz GKLJPJCBDGESFH-QGZVFWFLSA-N 1 3 330.382 2.869 20 0 EFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1F ZINC000635010708 480687476 /nfs/dbraw/zinc/68/74/76/480687476.db2.gz VARNOWYVVGERFW-ZDUSSCGKSA-N 1 3 330.407 2.812 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012804 480687876 /nfs/dbraw/zinc/68/78/76/480687876.db2.gz VPVQXFKKOKOTJX-INIZCTEOSA-N 1 3 342.418 2.738 20 0 EFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000635013304 480688542 /nfs/dbraw/zinc/68/85/42/480688542.db2.gz XUTZWALGWPGNRI-FUHWJXTLSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013757 480688577 /nfs/dbraw/zinc/68/85/77/480688577.db2.gz IGMOARZYCCWMJE-UCLAIMLFSA-N 1 3 332.875 2.964 20 0 EFADHO CC(=O)N1CC[C@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2C1 ZINC000635012043 480688843 /nfs/dbraw/zinc/68/88/43/480688843.db2.gz SPGHKNJYOKVPEN-QFIPXVFZSA-N 1 3 349.478 2.915 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638374749 480692448 /nfs/dbraw/zinc/69/24/48/480692448.db2.gz SLEAEZODZPRDJR-QFBILLFUSA-N 1 3 333.545 2.808 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638402468 480706579 /nfs/dbraw/zinc/70/65/79/480706579.db2.gz OBUGNMHLABJIBC-MJGOQNOKSA-N 1 3 329.488 2.860 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638402468 480706584 /nfs/dbraw/zinc/70/65/84/480706584.db2.gz OBUGNMHLABJIBC-MJGOQNOKSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@@H](COc1ccc(F)cc1F)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638420047 480716030 /nfs/dbraw/zinc/71/60/30/480716030.db2.gz KSIWYSVLONLPLF-ZDUSSCGKSA-N 1 3 342.430 2.557 20 0 EFADHO CCCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645164213 480725099 /nfs/dbraw/zinc/72/50/99/480725099.db2.gz HAGLUKSRPVYNMV-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCN(C)C1 ZINC000645164213 480725105 /nfs/dbraw/zinc/72/51/05/480725105.db2.gz HAGLUKSRPVYNMV-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCC[N@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645164212 480725960 /nfs/dbraw/zinc/72/59/60/480725960.db2.gz HAGLUKSRPVYNMV-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000645164212 480725962 /nfs/dbraw/zinc/72/59/62/480725962.db2.gz HAGLUKSRPVYNMV-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO Cn1c(CNC2CC[NH+](C3CCN(C)CC3)CC2)cc2ccccc21 ZINC000638458655 480734952 /nfs/dbraw/zinc/73/49/52/480734952.db2.gz FVVSGIMGVFWVGG-UHFFFAOYSA-N 1 3 340.515 2.827 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1 ZINC000645202751 480740982 /nfs/dbraw/zinc/74/09/82/480740982.db2.gz WYEGRIBQWUFRRP-LJQANCHMSA-N 1 3 334.504 2.905 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000632843313 480750079 /nfs/dbraw/zinc/75/00/79/480750079.db2.gz NBOIMSYVGKOFCZ-UHFFFAOYSA-N 1 3 348.535 2.663 20 0 EFADHO O[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)COCC1CC1 ZINC000638495929 480754063 /nfs/dbraw/zinc/75/40/63/480754063.db2.gz NWVHEXDIHALCCP-TYPHKJRUSA-N 1 3 344.499 2.732 20 0 EFADHO O[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)COCC1CC1 ZINC000638495929 480754073 /nfs/dbraw/zinc/75/40/73/480754073.db2.gz NWVHEXDIHALCCP-TYPHKJRUSA-N 1 3 344.499 2.732 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCOC[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638522354 480763408 /nfs/dbraw/zinc/76/34/08/480763408.db2.gz PKMSAAIHQKXNPH-DSKINZAPSA-N 1 3 344.499 2.997 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCOC[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638522354 480763417 /nfs/dbraw/zinc/76/34/17/480763417.db2.gz PKMSAAIHQKXNPH-DSKINZAPSA-N 1 3 344.499 2.997 20 0 EFADHO NCc1cccc2c1N(C(=O)[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000638542850 480770561 /nfs/dbraw/zinc/77/05/61/480770561.db2.gz LNZZPLLSXDYPNK-HXUWFJFHSA-N 1 3 349.478 2.947 20 0 EFADHO NCc1cccc2c1N(C(=O)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000638542850 480770565 /nfs/dbraw/zinc/77/05/65/480770565.db2.gz LNZZPLLSXDYPNK-HXUWFJFHSA-N 1 3 349.478 2.947 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NCCc2nc(C(C)(C)C)cs2)CC1 ZINC000638544060 480771965 /nfs/dbraw/zinc/77/19/65/480771965.db2.gz BSGPQTPRVJVYLK-UHFFFAOYSA-N 1 3 339.549 2.808 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000638552095 480776634 /nfs/dbraw/zinc/77/66/34/480776634.db2.gz NRJNJSDLUFHJAL-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2cccc(C[N@H+](C)CC)c2)[C@]12CCCO2 ZINC000638564196 480782384 /nfs/dbraw/zinc/78/23/84/480782384.db2.gz WMKNNFOURZKLBZ-XUVXKRRUSA-N 1 3 332.488 2.955 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2cccc(C[N@@H+](C)CC)c2)[C@]12CCCO2 ZINC000638564196 480782390 /nfs/dbraw/zinc/78/23/90/480782390.db2.gz WMKNNFOURZKLBZ-XUVXKRRUSA-N 1 3 332.488 2.955 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@H](OC(C)(C)C)C34CCC4)C2)CC1 ZINC000638586181 480788487 /nfs/dbraw/zinc/78/84/87/480788487.db2.gz KLVVSVMXMRXKAU-UHOSZYNNSA-N 1 3 349.563 2.871 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000632922671 480799647 /nfs/dbraw/zinc/79/96/47/480799647.db2.gz IROXYGXZUDZRGD-HZPDHXFCSA-N 1 3 346.475 2.505 20 0 EFADHO COC[C@@H](CCO)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638651594 480813054 /nfs/dbraw/zinc/81/30/54/480813054.db2.gz XZFCKVPYYQTPPQ-CTNGQTDRSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@H](CCO)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638651594 480813059 /nfs/dbraw/zinc/81/30/59/480813059.db2.gz XZFCKVPYYQTPPQ-CTNGQTDRSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@H](CCO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638651594 480813065 /nfs/dbraw/zinc/81/30/65/480813065.db2.gz XZFCKVPYYQTPPQ-CTNGQTDRSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624556415 480816258 /nfs/dbraw/zinc/81/62/58/480816258.db2.gz OWVWORCFPGMCDN-KVPLUYHFSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624556415 480816264 /nfs/dbraw/zinc/81/62/64/480816264.db2.gz OWVWORCFPGMCDN-KVPLUYHFSA-N 1 3 343.515 2.568 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 ZINC000632952008 480819220 /nfs/dbraw/zinc/81/92/20/480819220.db2.gz UZSKRSUVDCCRDM-UHFFFAOYSA-N 1 3 342.447 2.513 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000632951783 480819490 /nfs/dbraw/zinc/81/94/90/480819490.db2.gz RLGZIIDDPXIQGF-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CO[C@@H](CNCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723613 480842923 /nfs/dbraw/zinc/84/29/23/480842923.db2.gz QOIZGVBRNCFHEX-XLIONFOSSA-N 1 3 334.504 2.928 20 0 EFADHO CO[C@@H](CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723613 480842933 /nfs/dbraw/zinc/84/29/33/480842933.db2.gz QOIZGVBRNCFHEX-XLIONFOSSA-N 1 3 334.504 2.928 20 0 EFADHO CC[C@](C)(N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179265 480856938 /nfs/dbraw/zinc/85/69/38/480856938.db2.gz IJFOXKRYUIOODT-IBGZPJMESA-N 1 3 327.476 2.896 20 0 EFADHO CC[C@](C)(N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179352 480858088 /nfs/dbraw/zinc/85/80/88/480858088.db2.gz JORXRUXQWSMPCD-IBGZPJMESA-N 1 3 327.476 2.896 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000645477378 480859125 /nfs/dbraw/zinc/85/91/25/480859125.db2.gz ODZXGPZGXRUZEL-ICSRJNTNSA-N 1 3 343.515 2.717 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000645477377 480859344 /nfs/dbraw/zinc/85/93/44/480859344.db2.gz ODZXGPZGXRUZEL-AZUAARDMSA-N 1 3 343.515 2.717 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000645479929 480861479 /nfs/dbraw/zinc/86/14/79/480861479.db2.gz KWNVEMBIOUPMCZ-VQTJNVASSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635412287 480862987 /nfs/dbraw/zinc/86/29/87/480862987.db2.gz QHFCJZCWISMPNO-MJGOQNOKSA-N 1 3 341.499 2.814 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000633098868 480881278 /nfs/dbraw/zinc/88/12/78/480881278.db2.gz GLCZNPHMGUNQBL-SJORKVTESA-N 1 3 348.535 2.662 20 0 EFADHO CCCCCn1cc(C[NH2+]C2CCN(CC(C)(C)O)CC2)c(C)n1 ZINC000638815126 480881828 /nfs/dbraw/zinc/88/18/28/480881828.db2.gz AOFNPMZWGCEBGH-UHFFFAOYSA-N 1 3 336.524 2.707 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829085 480886992 /nfs/dbraw/zinc/88/69/92/480886992.db2.gz IQQZIPUAGLJZOB-DOMZBBRYSA-N 1 3 345.409 2.812 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC1([NH3+])CCC1)c1cccc(C(F)(F)F)c1 ZINC000638831117 480887797 /nfs/dbraw/zinc/88/77/97/480887797.db2.gz IGBAZQJEZNFVQE-CQSZACIVSA-N 1 3 343.393 2.696 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836205 480890133 /nfs/dbraw/zinc/89/01/33/480890133.db2.gz RMJMONATWPCMQY-KKSFZXQISA-N 1 3 349.478 2.788 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836205 480890139 /nfs/dbraw/zinc/89/01/39/480890139.db2.gz RMJMONATWPCMQY-KKSFZXQISA-N 1 3 349.478 2.788 20 0 EFADHO CO[C@H](c1ccc(F)cc1)[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638837130 480890182 /nfs/dbraw/zinc/89/01/82/480890182.db2.gz OSGLUGJPUFUYGU-KSSFIOAISA-N 1 3 338.467 2.727 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC000636326510 480907782 /nfs/dbraw/zinc/90/77/82/480907782.db2.gz BFXZENLIYWAOAO-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(OC(C)(C)C)nc2)CC1 ZINC000638916008 480913543 /nfs/dbraw/zinc/91/35/43/480913543.db2.gz TYFBOYHAZIDJES-UHFFFAOYSA-N 1 3 335.492 2.584 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000645734431 480922201 /nfs/dbraw/zinc/92/22/01/480922201.db2.gz QHZMUKHRUBYCGD-LJQANCHMSA-N 1 3 344.503 2.531 20 0 EFADHO CO[C@@H](CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC(C)C ZINC000638970692 480922392 /nfs/dbraw/zinc/92/23/92/480922392.db2.gz NLUOCKXKRHXXQX-WOJBJXKFSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@@H](CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC(C)C ZINC000638970692 480922396 /nfs/dbraw/zinc/92/23/96/480922396.db2.gz NLUOCKXKRHXXQX-WOJBJXKFSA-N 1 3 334.504 2.794 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)c3ccccc3CC[NH3+])C2)cc1 ZINC000639001871 480927914 /nfs/dbraw/zinc/92/79/14/480927914.db2.gz QCZSYQVRPKFQDP-IBGZPJMESA-N 1 3 337.467 2.501 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)cc1 ZINC000639005850 480928935 /nfs/dbraw/zinc/92/89/35/480928935.db2.gz PIKAOVSITMNHSR-NLWGTHIKSA-N 1 3 329.488 2.593 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000639006326 480929032 /nfs/dbraw/zinc/92/90/32/480929032.db2.gz VVTZUEAIDLLJGD-FXAWDEMLSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCCN1 ZINC000639039114 480933511 /nfs/dbraw/zinc/93/35/11/480933511.db2.gz PYDHIWMQMHUBNV-YSTOQKLRSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000647474819 480955331 /nfs/dbraw/zinc/95/53/31/480955331.db2.gz LCZCXPUCNFZVSM-JKSUJKDBSA-N 1 3 348.491 2.799 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118665 480963857 /nfs/dbraw/zinc/96/38/57/480963857.db2.gz POEBAQRASXOWKV-UWHLTILDSA-N 1 3 344.499 2.825 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118665 480963866 /nfs/dbraw/zinc/96/38/66/480963866.db2.gz POEBAQRASXOWKV-UWHLTILDSA-N 1 3 344.499 2.825 20 0 EFADHO CN(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666613959 480984920 /nfs/dbraw/zinc/98/49/20/480984920.db2.gz LVTZVCWHFUCBFJ-GFCCVEGCSA-N 1 3 344.286 2.623 20 0 EFADHO C[N@H+](CCOCCO)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639142211 480985956 /nfs/dbraw/zinc/98/59/56/480985956.db2.gz WINSIHPQXNDAEL-NRFANRHFSA-N 1 3 348.531 2.866 20 0 EFADHO C[N@@H+](CCOCCO)C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639142211 480985967 /nfs/dbraw/zinc/98/59/67/480985967.db2.gz WINSIHPQXNDAEL-NRFANRHFSA-N 1 3 348.531 2.866 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543586 480992167 /nfs/dbraw/zinc/99/21/67/480992167.db2.gz PWQZHTPXIQWBFF-HOTGVXAUSA-N 1 3 348.487 2.924 20 0 EFADHO Cn1c2ccc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2sc1=O ZINC000647544046 480993994 /nfs/dbraw/zinc/99/39/94/480993994.db2.gz VUXLBAJSFUNGAH-HOTGVXAUSA-N 1 3 345.512 2.812 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000666658564 481013263 /nfs/dbraw/zinc/01/32/63/481013263.db2.gz FHVZMCATEPUNFX-FXAWDEMLSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000666658564 481013273 /nfs/dbraw/zinc/01/32/73/481013273.db2.gz FHVZMCATEPUNFX-FXAWDEMLSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCN(CC2CC[NH+](CC(C)(C)Oc3ccccc3)CC2)CC1 ZINC000639170974 481015438 /nfs/dbraw/zinc/01/54/38/481015438.db2.gz MSZDUCRCWAOPKU-UHFFFAOYSA-N 1 3 345.531 2.803 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000646012059 481022796 /nfs/dbraw/zinc/02/27/96/481022796.db2.gz FNKGNKLRQSQDGX-SFHVURJKSA-N 1 3 342.487 2.594 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666667956 481024331 /nfs/dbraw/zinc/02/43/31/481024331.db2.gz OXPZJMJUEPALEK-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666667956 481024337 /nfs/dbraw/zinc/02/43/37/481024337.db2.gz OXPZJMJUEPALEK-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO COc1cc2c(cc1OC)[C@@H]([N@H+](C)CCCN(C)CCN(C)C)CC2 ZINC000639185720 481029542 /nfs/dbraw/zinc/02/95/42/481029542.db2.gz CTYVRHQTQPSYPA-SFHVURJKSA-N 1 3 349.519 2.506 20 0 EFADHO COc1cc2c(cc1OC)[C@@H]([N@@H+](C)CCCN(C)CCN(C)C)CC2 ZINC000639185720 481029552 /nfs/dbraw/zinc/02/95/52/481029552.db2.gz CTYVRHQTQPSYPA-SFHVURJKSA-N 1 3 349.519 2.506 20 0 EFADHO CO[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194500 481035954 /nfs/dbraw/zinc/03/59/54/481035954.db2.gz DRGWNRXUADDHIA-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194500 481035960 /nfs/dbraw/zinc/03/59/60/481035960.db2.gz DRGWNRXUADDHIA-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000639194500 481035967 /nfs/dbraw/zinc/03/59/67/481035967.db2.gz DRGWNRXUADDHIA-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669323303 481053232 /nfs/dbraw/zinc/05/32/32/481053232.db2.gz KNERBPSCCHEDEP-QRQLOZEOSA-N 1 3 344.503 2.592 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774055 481066129 /nfs/dbraw/zinc/06/61/29/481066129.db2.gz BHJVYVSCRQWXJZ-OALUTQOASA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774055 481066132 /nfs/dbraw/zinc/06/61/32/481066132.db2.gz BHJVYVSCRQWXJZ-OALUTQOASA-N 1 3 329.488 2.705 20 0 EFADHO Cc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000641789258 481077717 /nfs/dbraw/zinc/07/77/17/481077717.db2.gz MQIRCJLNNUCLOB-ZFWWWQNUSA-N 1 3 341.293 2.865 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000661504209 481079168 /nfs/dbraw/zinc/07/91/68/481079168.db2.gz BZFJBYVQYHEDGR-SOLBZPMBSA-N 1 3 348.535 2.518 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000661504209 481079175 /nfs/dbraw/zinc/07/91/75/481079175.db2.gz BZFJBYVQYHEDGR-SOLBZPMBSA-N 1 3 348.535 2.518 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000666756995 481084379 /nfs/dbraw/zinc/08/43/79/481084379.db2.gz XRONVGCDMKUGSL-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653112237 481086512 /nfs/dbraw/zinc/08/65/12/481086512.db2.gz RRNXNYZRVNFGDD-VQTJNVASSA-N 1 3 343.515 2.966 20 0 EFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000641803886 481088238 /nfs/dbraw/zinc/08/82/38/481088238.db2.gz VVNAUQAHPXEVKS-STQMWFEESA-N 1 3 329.366 2.749 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000653113805 481088497 /nfs/dbraw/zinc/08/84/97/481088497.db2.gz OGKZODSOJOPGCC-OALUTQOASA-N 1 3 329.488 2.638 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]CC2)[C@H]1c1cccs1 ZINC000653121746 481093590 /nfs/dbraw/zinc/09/35/90/481093590.db2.gz AYRYQDQNZWQFBF-UXLLHSPISA-N 1 3 335.517 2.637 20 0 EFADHO c1ccc(-n2nc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c3c2CCC3)cc1 ZINC000647791839 481107615 /nfs/dbraw/zinc/10/76/15/481107615.db2.gz OCBNJQGYGAGXGN-YESZJQIVSA-N 1 3 336.483 2.839 20 0 EFADHO OCC1CCN(Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647791207 481107681 /nfs/dbraw/zinc/10/76/81/481107681.db2.gz AQPQBDOTBQCRAQ-SFHLNBCPSA-N 1 3 343.515 2.691 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418998 481107768 /nfs/dbraw/zinc/10/77/68/481107768.db2.gz RWJRQLUXHFUHDE-MXSMSXNCSA-N 1 3 333.545 2.998 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420861 481110351 /nfs/dbraw/zinc/11/03/51/481110351.db2.gz YGQXQAYSAIRIBE-MJGOQNOKSA-N 1 3 346.519 2.715 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653148525 481110418 /nfs/dbraw/zinc/11/04/18/481110418.db2.gz BCEPXAPOIADTHX-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO FC(F)(F)COc1cnccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796623 481111783 /nfs/dbraw/zinc/11/17/83/481111783.db2.gz GWQOAXZMCMRHMD-FPMFFAJLSA-N 1 3 329.366 2.500 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000669427454 481117232 /nfs/dbraw/zinc/11/72/32/481117232.db2.gz HGVMUAPRSXUJFV-OALUTQOASA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)N2CCCC2)cc1 ZINC000669427569 481118889 /nfs/dbraw/zinc/11/88/89/481118889.db2.gz YZZILXSRRPBUGE-LNLFQRSKSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)N2CCCC2)cc1 ZINC000669427568 481119487 /nfs/dbraw/zinc/11/94/87/481119487.db2.gz YZZILXSRRPBUGE-LMMKCTJWSA-N 1 3 344.503 2.511 20 0 EFADHO OCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1 ZINC000639312259 481119877 /nfs/dbraw/zinc/11/98/77/481119877.db2.gz USJIOMQFWWNPTN-UHFFFAOYSA-N 1 3 325.456 2.576 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653168886 481123040 /nfs/dbraw/zinc/12/30/40/481123040.db2.gz SNWSHYQKYOXHGK-GOSISDBHSA-N 1 3 344.503 2.536 20 0 EFADHO COc1cc(C)c([C@H](C)[NH+]2CCC(N3CC[C@H](O)C3)CC2)cc1C ZINC000639331705 481132416 /nfs/dbraw/zinc/13/24/16/481132416.db2.gz XZOROFXOHMPPPR-WMZOPIPTSA-N 1 3 332.488 2.904 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639340195 481138626 /nfs/dbraw/zinc/13/86/26/481138626.db2.gz ICPJKRHTFQWBLG-GGPKGHCWSA-N 1 3 327.472 2.565 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639340195 481138634 /nfs/dbraw/zinc/13/86/34/481138634.db2.gz ICPJKRHTFQWBLG-GGPKGHCWSA-N 1 3 327.472 2.565 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C3CCCCC3)C2)CC1 ZINC000661578025 481142122 /nfs/dbraw/zinc/14/21/22/481142122.db2.gz HYUAYAULHPAVGS-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000669479675 481147251 /nfs/dbraw/zinc/14/72/51/481147251.db2.gz FPWRDOKSBPBRMV-WBVHZDCISA-N 1 3 332.492 2.557 20 0 EFADHO CC(C)N(C[C@@H](O)COc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000647872312 481149670 /nfs/dbraw/zinc/14/96/70/481149670.db2.gz USOVOUBRLISFPV-IEBWSBKVSA-N 1 3 342.483 2.899 20 0 EFADHO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483739 481150073 /nfs/dbraw/zinc/15/00/73/481150073.db2.gz KNEMDPKJOVUCOM-LMMKCTJWSA-N 1 3 344.503 2.592 20 0 EFADHO [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483603 481150232 /nfs/dbraw/zinc/15/02/32/481150232.db2.gz CXSWGBNRYQDPDO-NZSAHSFTSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483669 481151097 /nfs/dbraw/zinc/15/10/97/481151097.db2.gz GUTHXGKCLZDBGF-QRVBRYPASA-N 1 3 344.503 2.783 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483670 481151361 /nfs/dbraw/zinc/15/13/61/481151361.db2.gz GUTHXGKCLZDBGF-QYZOEREBSA-N 1 3 344.503 2.783 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666857649 481151690 /nfs/dbraw/zinc/15/16/90/481151690.db2.gz COKPFSCRDHMEPD-OCCSQVGLSA-N 1 3 339.867 2.797 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857650 481151824 /nfs/dbraw/zinc/15/18/24/481151824.db2.gz COKPFSCRDHMEPD-TZMCWYRMSA-N 1 3 339.867 2.797 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCC[NH2+]CC1 ZINC000666857647 481151968 /nfs/dbraw/zinc/15/19/68/481151968.db2.gz COKPFSCRDHMEPD-GXTWGEPZSA-N 1 3 339.867 2.797 20 0 EFADHO [NH3+]C1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669484011 481152220 /nfs/dbraw/zinc/15/22/20/481152220.db2.gz YCKQQOMIMZFNES-ACBHZAAOSA-N 1 3 344.503 2.783 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483770 481152400 /nfs/dbraw/zinc/15/24/00/481152400.db2.gz LZXZLYVSSWSRAM-GOSISDBHSA-N 1 3 346.519 2.840 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669484029 481152584 /nfs/dbraw/zinc/15/25/84/481152584.db2.gz ZDDHLKIPXAIONT-YTQUADARSA-N 1 3 344.503 2.592 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483979 481152676 /nfs/dbraw/zinc/15/26/76/481152676.db2.gz WNLZSAHLCWXUMK-SJLPKXTDSA-N 1 3 332.492 2.511 20 0 EFADHO [NH3+]C1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000669484012 481152970 /nfs/dbraw/zinc/15/29/70/481152970.db2.gz YCKQQOMIMZFNES-CTWPCTMYSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669484027 481153185 /nfs/dbraw/zinc/15/31/85/481153185.db2.gz ZDDHLKIPXAIONT-UHOSZYNNSA-N 1 3 344.503 2.592 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2NCC2(C)C)c1 ZINC000646195394 481153326 /nfs/dbraw/zinc/15/33/26/481153326.db2.gz ZGPKIOTUIBAQDB-SFHVURJKSA-N 1 3 331.504 2.923 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2NCC2(C)C)c1 ZINC000646195394 481153331 /nfs/dbraw/zinc/15/33/31/481153331.db2.gz ZGPKIOTUIBAQDB-SFHVURJKSA-N 1 3 331.504 2.923 20 0 EFADHO O=C1CC[C@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]2N1 ZINC000661595773 481154814 /nfs/dbraw/zinc/15/48/14/481154814.db2.gz DWTFGDVEDCXLCO-VQTJNVASSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCCc1cnn(C)c1 ZINC000639360543 481155649 /nfs/dbraw/zinc/15/56/49/481155649.db2.gz XOEXJHQRAUBXMY-FXAWDEMLSA-N 1 3 326.488 2.710 20 0 EFADHO O=C1CC[C@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]2N1 ZINC000661598920 481157987 /nfs/dbraw/zinc/15/79/87/481157987.db2.gz YKHFYIWCEJJBRJ-PMACEKPBSA-N 1 3 341.499 2.773 20 0 EFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1cccc2c1CCNC2 ZINC000659016957 481162561 /nfs/dbraw/zinc/16/25/61/481162561.db2.gz BKXHITZDPPHELE-UHFFFAOYSA-N 1 3 342.487 2.576 20 0 EFADHO C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@H]1CC[NH3+] ZINC000653239632 481172915 /nfs/dbraw/zinc/17/29/15/481172915.db2.gz CPOMGUVUFZBPJM-XLIONFOSSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000664320972 481175534 /nfs/dbraw/zinc/17/55/34/481175534.db2.gz AXTHUVDYUARJAE-ZHALLVOQSA-N 1 3 346.519 2.536 20 0 EFADHO CC[C@]1(O)CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000639385297 481176582 /nfs/dbraw/zinc/17/65/82/481176582.db2.gz PXCMZIVIKHYHMA-NRFANRHFSA-N 1 3 345.531 2.954 20 0 EFADHO CC[C@]1(O)CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000639385297 481176586 /nfs/dbraw/zinc/17/65/86/481176586.db2.gz PXCMZIVIKHYHMA-NRFANRHFSA-N 1 3 345.531 2.954 20 0 EFADHO CC[C@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000647936841 481195501 /nfs/dbraw/zinc/19/55/01/481195501.db2.gz MCIFKHKYGFRIHL-FUHWJXTLSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1N ZINC000647936841 481195505 /nfs/dbraw/zinc/19/55/05/481195505.db2.gz MCIFKHKYGFRIHL-FUHWJXTLSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@H]1N ZINC000647936841 481195512 /nfs/dbraw/zinc/19/55/12/481195512.db2.gz MCIFKHKYGFRIHL-FUHWJXTLSA-N 1 3 342.491 2.570 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000647964619 481218078 /nfs/dbraw/zinc/21/80/78/481218078.db2.gz QVWVZNHOEVMJOS-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000647964619 481218082 /nfs/dbraw/zinc/21/80/82/481218082.db2.gz QVWVZNHOEVMJOS-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000647964619 481218084 /nfs/dbraw/zinc/21/80/84/481218084.db2.gz QVWVZNHOEVMJOS-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965206 481218918 /nfs/dbraw/zinc/21/89/18/481218918.db2.gz LQKAJWZNKINBPL-OKZBNKHCSA-N 1 3 326.525 2.747 20 0 EFADHO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CN(C)C(C)C)C12CCCCC2 ZINC000647965206 481218923 /nfs/dbraw/zinc/21/89/23/481218923.db2.gz LQKAJWZNKINBPL-OKZBNKHCSA-N 1 3 326.525 2.747 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974931 481225072 /nfs/dbraw/zinc/22/50/72/481225072.db2.gz CDFDDZQROZAGBQ-QZTJIDSGSA-N 1 3 329.488 2.751 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975513 481227662 /nfs/dbraw/zinc/22/76/62/481227662.db2.gz BFWQUJQUBPPTIM-NSHGMRRFSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975780 481227985 /nfs/dbraw/zinc/22/79/85/481227985.db2.gz FTWXZDHZBOPPNJ-SOLBZPMBSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975651 481228301 /nfs/dbraw/zinc/22/83/01/481228301.db2.gz DCFVKXIOVQRYEB-OLOUCDKRSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H]1[C@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000669587514 481228866 /nfs/dbraw/zinc/22/88/66/481228866.db2.gz RJCCJJGWVWAYJQ-FUHWJXTLSA-N 1 3 344.503 2.610 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975978 481229090 /nfs/dbraw/zinc/22/90/90/481229090.db2.gz IJRACNMLOOWHCR-BPQIPLTHSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976355 481230010 /nfs/dbraw/zinc/23/00/10/481230010.db2.gz NIDNGYDNLQJDGI-SXLOBPIMSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975981 481230333 /nfs/dbraw/zinc/23/03/33/481230333.db2.gz IJRACNMLOOWHCR-NXHRZFHOSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976466 481230840 /nfs/dbraw/zinc/23/08/40/481230840.db2.gz OVPTYXIMBIMVOW-PJVZLEMVSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976351 481232230 /nfs/dbraw/zinc/23/22/30/481232230.db2.gz NHXKKSHQIIGFPR-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978202 481233187 /nfs/dbraw/zinc/23/31/87/481233187.db2.gz OIJLDOGFJRPQQX-LNLFQRSKSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977206 481233222 /nfs/dbraw/zinc/23/32/22/481233222.db2.gz ZKJDXCKUPRUROT-NEWSRXKRSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977742 481233354 /nfs/dbraw/zinc/23/33/54/481233354.db2.gz GZGIAYZRHMQPQF-MKXGPGLRSA-N 1 3 335.536 2.735 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000647977976 481233569 /nfs/dbraw/zinc/23/35/69/481233569.db2.gz KMTUNSGWIQFMQT-CMKODMSKSA-N 1 3 341.499 2.894 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977483 481234209 /nfs/dbraw/zinc/23/42/09/481234209.db2.gz CGXVVOYMUSRFRM-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000647977977 481234505 /nfs/dbraw/zinc/23/45/05/481234505.db2.gz KMTUNSGWIQFMQT-NLWGTHIKSA-N 1 3 341.499 2.894 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccc21 ZINC000647978005 481234776 /nfs/dbraw/zinc/23/47/76/481234776.db2.gz KWBAKLSPUYFNAW-JKSUJKDBSA-N 1 3 340.471 2.590 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000669614903 481241226 /nfs/dbraw/zinc/24/12/26/481241226.db2.gz VAZHMKISPBVYBC-OXJNMPFZSA-N 1 3 343.515 2.831 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000669614902 481241412 /nfs/dbraw/zinc/24/14/12/481241412.db2.gz VAZHMKISPBVYBC-JXFKEZNVSA-N 1 3 343.515 2.831 20 0 EFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000667026801 481264245 /nfs/dbraw/zinc/26/42/45/481264245.db2.gz AOEUQDNAXRHJEN-USXIJHARSA-N 1 3 335.879 2.580 20 0 EFADHO O[C@]1(CN2CCC(OCC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639504912 481265065 /nfs/dbraw/zinc/26/50/65/481265065.db2.gz UYVSRQFIUBOVGB-NRFANRHFSA-N 1 3 344.499 2.514 20 0 EFADHO O[C@]1(CN2CCC(OCC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639504912 481265072 /nfs/dbraw/zinc/26/50/72/481265072.db2.gz UYVSRQFIUBOVGB-NRFANRHFSA-N 1 3 344.499 2.514 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000667041802 481272036 /nfs/dbraw/zinc/27/20/36/481272036.db2.gz VJDLBEPYHNJNRA-RBUKOAKNSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc4ccccc4c3)C2)C1 ZINC000650708252 481277330 /nfs/dbraw/zinc/27/73/30/481277330.db2.gz WHPWFOKVFJWHPJ-NSHGMRRFSA-N 1 3 325.456 2.953 20 0 EFADHO Cn1ccnc1COc1ccc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650709033 481279506 /nfs/dbraw/zinc/27/95/06/481279506.db2.gz ZQJGLVWBVQFMFI-PXNSSMCTSA-N 1 3 340.471 2.560 20 0 EFADHO Cn1ccnc1COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650709033 481279516 /nfs/dbraw/zinc/27/95/16/481279516.db2.gz ZQJGLVWBVQFMFI-PXNSSMCTSA-N 1 3 340.471 2.560 20 0 EFADHO Cn1ccnc1COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cc1 ZINC000650709033 481279524 /nfs/dbraw/zinc/27/95/24/481279524.db2.gz ZQJGLVWBVQFMFI-PXNSSMCTSA-N 1 3 340.471 2.560 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408845 481280821 /nfs/dbraw/zinc/28/08/21/481280821.db2.gz NQTHDVSBKFJGEC-FHWLQOOXSA-N 1 3 329.488 2.718 20 0 EFADHO COc1cc(C)c(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000667054148 481281783 /nfs/dbraw/zinc/28/17/83/481281783.db2.gz PDAUUAVLHUUIPV-MSOLQXFVSA-N 1 3 348.487 2.731 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCC2(CCO2)CC1 ZINC000669718290 481283443 /nfs/dbraw/zinc/28/34/43/481283443.db2.gz FUBPDJBFPUVBHU-UHFFFAOYSA-N 1 3 330.472 2.916 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000664490572 481286370 /nfs/dbraw/zinc/28/63/70/481286370.db2.gz OWRLDDADHWPUHC-GOSISDBHSA-N 1 3 344.503 2.992 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000664490572 481286376 /nfs/dbraw/zinc/28/63/76/481286376.db2.gz OWRLDDADHWPUHC-GOSISDBHSA-N 1 3 344.503 2.992 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717967 481286677 /nfs/dbraw/zinc/28/66/77/481286677.db2.gz SLHNGHNMWWSNNS-GFCCVEGCSA-N 1 3 333.382 2.930 20 0 EFADHO CCn1nc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c2ccccc21 ZINC000650723864 481291936 /nfs/dbraw/zinc/29/19/36/481291936.db2.gz VDIRFKBXOQRLJQ-BEVDRBHNSA-N 1 3 342.487 2.917 20 0 EFADHO CN(C)CCOc1ccc(CN2C[C@H]([NH3+])Cc3ccccc32)cc1 ZINC000667065096 481292002 /nfs/dbraw/zinc/29/20/02/481292002.db2.gz RNSLZBPFWSYXHH-GOSISDBHSA-N 1 3 325.456 2.517 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000667068587 481293497 /nfs/dbraw/zinc/29/34/97/481293497.db2.gz CYFVJLBUOFLQKY-UHFFFAOYSA-N 1 3 344.430 2.690 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000643076728 481307791 /nfs/dbraw/zinc/30/77/91/481307791.db2.gz KHBSDIPLZIJLSN-MSOLQXFVSA-N 1 3 329.488 2.548 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000643076728 481307793 /nfs/dbraw/zinc/30/77/93/481307793.db2.gz KHBSDIPLZIJLSN-MSOLQXFVSA-N 1 3 329.488 2.548 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000643080893 481310192 /nfs/dbraw/zinc/31/01/92/481310192.db2.gz DEHMHTLABCXTCY-PMACEKPBSA-N 1 3 332.488 2.901 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659279481 481331175 /nfs/dbraw/zinc/33/11/75/481331175.db2.gz ANKVYCSGDDWPCE-SFHVURJKSA-N 1 3 341.499 2.629 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659279481 481331183 /nfs/dbraw/zinc/33/11/83/481331183.db2.gz ANKVYCSGDDWPCE-SFHVURJKSA-N 1 3 341.499 2.629 20 0 EFADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659283640 481332963 /nfs/dbraw/zinc/33/29/63/481332963.db2.gz AIFXAMKMEJXDCX-QZTJIDSGSA-N 1 3 329.488 2.622 20 0 EFADHO CC[C@H]1CN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC[C@@H]1[NH3+] ZINC000667123208 481337021 /nfs/dbraw/zinc/33/70/21/481337021.db2.gz MAQZCAYXCVITAE-HOTGVXAUSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288341 481339206 /nfs/dbraw/zinc/33/92/06/481339206.db2.gz GASDJAVTHGFQBZ-WMZOPIPTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288341 481339211 /nfs/dbraw/zinc/33/92/11/481339211.db2.gz GASDJAVTHGFQBZ-WMZOPIPTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288338 481339247 /nfs/dbraw/zinc/33/92/47/481339247.db2.gz GASDJAVTHGFQBZ-AEFFLSMTSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288338 481339254 /nfs/dbraw/zinc/33/92/54/481339254.db2.gz GASDJAVTHGFQBZ-AEFFLSMTSA-N 1 3 341.499 2.675 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)CC4(CCC4)C3)cc21 ZINC000659291927 481340330 /nfs/dbraw/zinc/34/03/30/481340330.db2.gz MDAKYGLTJJSXHU-UHFFFAOYSA-N 1 3 340.471 2.803 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)CCN2CCCCC2)c1 ZINC000650790003 481344643 /nfs/dbraw/zinc/34/46/43/481344643.db2.gz VZRXBUATMUOKIR-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CCN2CCCCC2)c1 ZINC000650790003 481344646 /nfs/dbraw/zinc/34/46/46/481344646.db2.gz VZRXBUATMUOKIR-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659324383 481362300 /nfs/dbraw/zinc/36/23/00/481362300.db2.gz MYOAUCGOUSAEHK-MAODMQOUSA-N 1 3 349.478 2.858 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H]1NCc2ccccc21 ZINC000659324383 481362315 /nfs/dbraw/zinc/36/23/15/481362315.db2.gz MYOAUCGOUSAEHK-MAODMQOUSA-N 1 3 349.478 2.858 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659324385 481363458 /nfs/dbraw/zinc/36/34/58/481363458.db2.gz MYOAUCGOUSAEHK-TYCQWZJGSA-N 1 3 349.478 2.858 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H]1NCc2ccccc21 ZINC000659324385 481363469 /nfs/dbraw/zinc/36/34/69/481363469.db2.gz MYOAUCGOUSAEHK-TYCQWZJGSA-N 1 3 349.478 2.858 20 0 EFADHO CCN1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H](C)C1 ZINC000653616555 481366127 /nfs/dbraw/zinc/36/61/27/481366127.db2.gz GPVFHBNJJLWLAV-DOPJRALCSA-N 1 3 330.476 2.697 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000643260539 481371675 /nfs/dbraw/zinc/37/16/75/481371675.db2.gz BRUQSAAODGGGGI-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO Cc1cnn(CCCCC[N@@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682934 481426341 /nfs/dbraw/zinc/42/63/41/481426341.db2.gz MGDWPYPOAKDLHX-UHFFFAOYSA-N 1 3 327.476 2.969 20 0 EFADHO Cc1cnn(CCCCC[N@H+]2CCCN(c3ccncc3)CC2)c1 ZINC000639682934 481426348 /nfs/dbraw/zinc/42/63/48/481426348.db2.gz MGDWPYPOAKDLHX-UHFFFAOYSA-N 1 3 327.476 2.969 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646678901 481430018 /nfs/dbraw/zinc/43/00/18/481430018.db2.gz HROAJGZIWMRETQ-ICSRJNTNSA-N 1 3 343.515 2.714 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccsc1 ZINC000659434300 481432757 /nfs/dbraw/zinc/43/27/57/481432757.db2.gz KYUIRCQZLJASSQ-HNNXBMFYSA-N 1 3 338.521 2.702 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccsc1 ZINC000659435575 481435294 /nfs/dbraw/zinc/43/52/94/481435294.db2.gz YHNRLPZCQZFECD-AWEZNQCLSA-N 1 3 326.510 2.510 20 0 EFADHO CCCN1CC[C@@H](NC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000661951417 481439924 /nfs/dbraw/zinc/43/99/24/481439924.db2.gz MZGFBRLZULSXER-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO O[C@H](CCc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639701829 481440680 /nfs/dbraw/zinc/44/06/80/481440680.db2.gz CISQFNSXHXFJOZ-HXUWFJFHSA-N 1 3 325.456 2.587 20 0 EFADHO O[C@H](CCc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639701829 481440684 /nfs/dbraw/zinc/44/06/84/481440684.db2.gz CISQFNSXHXFJOZ-HXUWFJFHSA-N 1 3 325.456 2.587 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659454752 481445793 /nfs/dbraw/zinc/44/57/93/481445793.db2.gz NQYGEFBCDPHLAS-HNNXBMFYSA-N 1 3 332.492 2.687 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N(C)CCN1CCCCC1)C(C)C ZINC000650947089 481460137 /nfs/dbraw/zinc/46/01/37/481460137.db2.gz UBMINMIOQANFQL-UHFFFAOYSA-N 1 3 326.529 2.623 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000659491601 481467753 /nfs/dbraw/zinc/46/77/53/481467753.db2.gz BAKZUDWFASZVIZ-WBVHZDCISA-N 1 3 332.492 2.557 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000659491597 481468127 /nfs/dbraw/zinc/46/81/27/481468127.db2.gz BAKZUDWFASZVIZ-NVXWUHKLSA-N 1 3 332.492 2.557 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000659492838 481468483 /nfs/dbraw/zinc/46/84/83/481468483.db2.gz RIKDMEVIZXSUQT-XJKSGUPXSA-N 1 3 340.899 2.630 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)NCC2([NH3+])CCCC2)CCC1 ZINC000659500056 481472108 /nfs/dbraw/zinc/47/21/08/481472108.db2.gz OWGRXKAWUGHDIE-UHFFFAOYSA-N 1 3 344.503 2.612 20 0 EFADHO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(CN)nc1C)C2 ZINC000643452036 481473825 /nfs/dbraw/zinc/47/38/25/481473825.db2.gz PTIASGXNURTGDF-CJNGLKHVSA-N 1 3 327.428 2.512 20 0 EFADHO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(CN)nc1C)C2 ZINC000643452038 481474052 /nfs/dbraw/zinc/47/40/52/481474052.db2.gz PTIASGXNURTGDF-XJKSGUPXSA-N 1 3 327.428 2.512 20 0 EFADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@H](CN1CCCCC1)c1ccccc1 ZINC000643451854 481474681 /nfs/dbraw/zinc/47/46/81/481474681.db2.gz KMTGXIYJHFGPDR-YZGWKJHDSA-N 1 3 331.504 2.570 20 0 EFADHO C[C@H](NCC1([NH+]2CCSCC2)CCCCC1)c1cnccc1N ZINC000643452420 481474789 /nfs/dbraw/zinc/47/47/89/481474789.db2.gz WLQUMZYQWGYOIT-HNNXBMFYSA-N 1 3 334.533 2.896 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637366435 481482639 /nfs/dbraw/zinc/48/26/39/481482639.db2.gz BZKBJMCZWQBKQT-MSOLQXFVSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637366435 481482645 /nfs/dbraw/zinc/48/26/45/481482645.db2.gz BZKBJMCZWQBKQT-MSOLQXFVSA-N 1 3 336.524 2.518 20 0 EFADHO CN(C(=O)NC[C@H]1CCN1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000637366510 481482851 /nfs/dbraw/zinc/48/28/51/481482851.db2.gz COQSVOSYPOLKOD-MHYDHLEJSA-N 1 3 348.535 2.660 20 0 EFADHO CN(C(=O)NC[C@H]1CCN1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000637366510 481482858 /nfs/dbraw/zinc/48/28/58/481482858.db2.gz COQSVOSYPOLKOD-MHYDHLEJSA-N 1 3 348.535 2.660 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528745 481483294 /nfs/dbraw/zinc/48/32/94/481483294.db2.gz XAIZTPOTFCQROA-RTBURBONSA-N 1 3 340.471 2.623 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528745 481483304 /nfs/dbraw/zinc/48/33/04/481483304.db2.gz XAIZTPOTFCQROA-RTBURBONSA-N 1 3 340.471 2.623 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637366436 481484312 /nfs/dbraw/zinc/48/43/12/481484312.db2.gz BZKBJMCZWQBKQT-QZTJIDSGSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637366436 481484314 /nfs/dbraw/zinc/48/43/14/481484314.db2.gz BZKBJMCZWQBKQT-QZTJIDSGSA-N 1 3 336.524 2.518 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372598 481491448 /nfs/dbraw/zinc/49/14/48/481491448.db2.gz LGOGHNWOBHEKIK-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372598 481491455 /nfs/dbraw/zinc/49/14/55/481491455.db2.gz LGOGHNWOBHEKIK-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO O=C(c1cccc2ccccc21)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000648402288 481519401 /nfs/dbraw/zinc/51/94/01/481519401.db2.gz WIOWNRIACPJHQM-UHFFFAOYSA-N 1 3 337.467 2.597 20 0 EFADHO CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000659623347 481520500 /nfs/dbraw/zinc/52/05/00/481520500.db2.gz ZPJNBPLEDKXQFO-RTBURBONSA-N 1 3 346.519 2.666 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000664866557 481527258 /nfs/dbraw/zinc/52/72/58/481527258.db2.gz DSCYHNFHYLEZNW-AOIWGVFYSA-N 1 3 346.519 2.770 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000664866557 481527262 /nfs/dbraw/zinc/52/72/62/481527262.db2.gz DSCYHNFHYLEZNW-AOIWGVFYSA-N 1 3 346.519 2.770 20 0 EFADHO CCC[NH2+]CCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000646883430 481531154 /nfs/dbraw/zinc/53/11/54/481531154.db2.gz JSIONDJAZBOBMQ-KRWDZBQOSA-N 1 3 347.503 2.669 20 0 EFADHO CC[C@@H](CNC(=O)NCCC[NH2+]C(C)C)N1CCc2ccccc2C1 ZINC000637469123 481547807 /nfs/dbraw/zinc/54/78/07/481547807.db2.gz QMJDAGYYBJBDBQ-IBGZPJMESA-N 1 3 346.519 2.511 20 0 EFADHO CC[C@H](CNC(=O)NCCC[NH2+]C(C)C)N1CCc2ccccc2C1 ZINC000637469124 481548306 /nfs/dbraw/zinc/54/83/06/481548306.db2.gz QMJDAGYYBJBDBQ-LJQANCHMSA-N 1 3 346.519 2.511 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000637470750 481549836 /nfs/dbraw/zinc/54/98/36/481549836.db2.gz BZFYBDROSBLIPP-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000637474841 481554850 /nfs/dbraw/zinc/55/48/50/481554850.db2.gz JJYPELOSGATZNK-MJGOQNOKSA-N 1 3 348.535 2.663 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc2cc(Cl)cnc2o1 ZINC000648454379 481557603 /nfs/dbraw/zinc/55/76/03/481557603.db2.gz OHVHSOKRQDBRBJ-OAHLLOKOSA-N 1 3 337.851 2.808 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc2cc(Cl)cnc2o1 ZINC000648454379 481557612 /nfs/dbraw/zinc/55/76/12/481557612.db2.gz OHVHSOKRQDBRBJ-OAHLLOKOSA-N 1 3 337.851 2.808 20 0 EFADHO CC[N@H+](CCCNC(=O)N(C)C[C@@H]1CCCN1C)C1CCCCC1 ZINC000651218484 481634751 /nfs/dbraw/zinc/63/47/51/481634751.db2.gz PQZKVTQRSAOTJD-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC(=O)N(C)C[C@@H]1CCCN1C)C1CCCCC1 ZINC000651218484 481634756 /nfs/dbraw/zinc/63/47/56/481634756.db2.gz PQZKVTQRSAOTJD-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](CCCc1cccnc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000651228310 481644614 /nfs/dbraw/zinc/64/46/14/481644614.db2.gz OTNOYNPUAVPSOI-MJGOQNOKSA-N 1 3 330.520 2.551 20 0 EFADHO Oc1ccc(CCC2CC[NH+](C[C@@H]3CCC4(CNC4)O3)CC2)cc1 ZINC000662249551 481665267 /nfs/dbraw/zinc/66/52/67/481665267.db2.gz WSAPSZBJCPAQNS-IBGZPJMESA-N 1 3 330.472 2.558 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973117 481674425 /nfs/dbraw/zinc/67/44/25/481674425.db2.gz MDUFQCWONYISMW-SBHAEUEKSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973117 481674433 /nfs/dbraw/zinc/67/44/33/481674433.db2.gz MDUFQCWONYISMW-SBHAEUEKSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973117 481674438 /nfs/dbraw/zinc/67/44/38/481674438.db2.gz MDUFQCWONYISMW-SBHAEUEKSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973117 481674448 /nfs/dbraw/zinc/67/44/48/481674448.db2.gz MDUFQCWONYISMW-SBHAEUEKSA-N 1 3 345.531 2.550 20 0 EFADHO c1ccc2oc([C@H]3CCC[N@@H+](C[C@@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260936 481675131 /nfs/dbraw/zinc/67/51/31/481675131.db2.gz RSROLBYBBJRXQC-GJZGRUSLSA-N 1 3 327.428 2.528 20 0 EFADHO c1ccc2oc([C@H]3CCC[N@H+](C[C@@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260936 481675134 /nfs/dbraw/zinc/67/51/34/481675134.db2.gz RSROLBYBBJRXQC-GJZGRUSLSA-N 1 3 327.428 2.528 20 0 EFADHO CC(C)c1cccc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000662264740 481677626 /nfs/dbraw/zinc/67/76/26/481677626.db2.gz KFTDVLLVKUFECN-QUCCMNQESA-N 1 3 343.515 2.890 20 0 EFADHO CC(C)c1csc([C@@H]2CCCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662265152 481678195 /nfs/dbraw/zinc/67/81/95/481678195.db2.gz VCMZWJLBAQBHHA-HUUCEWRRSA-N 1 3 335.517 2.967 20 0 EFADHO CC(C)c1csc([C@H]2CCCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662265148 481679198 /nfs/dbraw/zinc/67/91/98/481679198.db2.gz VCMZWJLBAQBHHA-GJZGRUSLSA-N 1 3 335.517 2.967 20 0 EFADHO c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662280077 481689152 /nfs/dbraw/zinc/68/91/52/481689152.db2.gz XQRLWUOZPLHGIC-RAFMOHDBSA-N 1 3 326.484 2.993 20 0 EFADHO c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662280077 481689157 /nfs/dbraw/zinc/68/91/57/481689157.db2.gz XQRLWUOZPLHGIC-RAFMOHDBSA-N 1 3 326.484 2.993 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC[N@@H+]1C ZINC000648715740 481689630 /nfs/dbraw/zinc/68/96/30/481689630.db2.gz DUQNYGJUVHUQAD-ZACQAIPSSA-N 1 3 349.544 2.978 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CC[N@H+]1C ZINC000648715740 481689635 /nfs/dbraw/zinc/68/96/35/481689635.db2.gz DUQNYGJUVHUQAD-ZACQAIPSSA-N 1 3 349.544 2.978 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290114 481691680 /nfs/dbraw/zinc/69/16/80/481691680.db2.gz KBWHOYNJEGCZDC-XLIONFOSSA-N 1 3 343.515 2.745 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291486 481695707 /nfs/dbraw/zinc/69/57/07/481695707.db2.gz UHEJERIMSDJKND-GOSISDBHSA-N 1 3 330.472 2.980 20 0 EFADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293041 481697684 /nfs/dbraw/zinc/69/76/84/481697684.db2.gz ITSBKECOUZQXMP-PKOBYXMFSA-N 1 3 327.472 2.652 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293370 481698027 /nfs/dbraw/zinc/69/80/27/481698027.db2.gz KLLRZRRFWVWWKK-ZDUSSCGKSA-N 1 3 326.378 2.615 20 0 EFADHO Cn1cc(-c2nc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)cn1 ZINC000662293771 481698474 /nfs/dbraw/zinc/69/84/74/481698474.db2.gz NRCNIAANXWOTDN-HNNXBMFYSA-N 1 3 345.516 2.755 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010763 481699232 /nfs/dbraw/zinc/69/92/32/481699232.db2.gz MAKOPOIPMCWJOL-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010763 481699237 /nfs/dbraw/zinc/69/92/37/481699237.db2.gz MAKOPOIPMCWJOL-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010763 481699241 /nfs/dbraw/zinc/69/92/41/481699241.db2.gz MAKOPOIPMCWJOL-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@@H]21 ZINC000660010763 481699246 /nfs/dbraw/zinc/69/92/46/481699246.db2.gz MAKOPOIPMCWJOL-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295090 481699676 /nfs/dbraw/zinc/69/96/76/481699676.db2.gz STQGSEGJEFUVEW-WMLDXEAASA-N 1 3 341.459 2.904 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(CC[C@@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012325 481700469 /nfs/dbraw/zinc/70/04/69/481700469.db2.gz SUYBXUZPGMOUIN-HFTRVMKXSA-N 1 3 345.512 2.906 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(CC[C@@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012325 481700474 /nfs/dbraw/zinc/70/04/74/481700474.db2.gz SUYBXUZPGMOUIN-HFTRVMKXSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC[C@@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012325 481700476 /nfs/dbraw/zinc/70/04/76/481700476.db2.gz SUYBXUZPGMOUIN-HFTRVMKXSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC[C@@H]3Sc4ccccc4NC3=O)CC[C@@H]21 ZINC000660012325 481700482 /nfs/dbraw/zinc/70/04/82/481700482.db2.gz SUYBXUZPGMOUIN-HFTRVMKXSA-N 1 3 345.512 2.906 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662296201 481702347 /nfs/dbraw/zinc/70/23/47/481702347.db2.gz XQGSTPRCFNQAIA-GOSISDBHSA-N 1 3 329.488 2.751 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296147 481703453 /nfs/dbraw/zinc/70/34/53/481703453.db2.gz YACKMQXXQWWSDG-MJGOQNOKSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662298377 481705109 /nfs/dbraw/zinc/70/51/09/481705109.db2.gz VUSWCIDTXRLSFZ-ZWOKBUDYSA-N 1 3 343.515 2.964 20 0 EFADHO O=C1[C@@H](N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1 ZINC000662299107 481705374 /nfs/dbraw/zinc/70/53/74/481705374.db2.gz ZQFWGUAVFZBCDC-MJGOQNOKSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298669 481705645 /nfs/dbraw/zinc/70/56/45/481705645.db2.gz WRBSEYVTXJVYBD-GDBMZVCRSA-N 1 3 333.451 2.864 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658763 481717262 /nfs/dbraw/zinc/71/72/62/481717262.db2.gz PLDJKVAVLLGEJH-IPMKNSEASA-N 1 3 346.519 2.838 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000640040426 481717876 /nfs/dbraw/zinc/71/78/76/481717876.db2.gz AXINWINJPMVMRM-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC[N@H+]1CCCC1(C)C ZINC000640040426 481717881 /nfs/dbraw/zinc/71/78/81/481717881.db2.gz AXINWINJPMVMRM-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO Cc1ccc(CNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1F ZINC000662316958 481720627 /nfs/dbraw/zinc/72/06/27/481720627.db2.gz YSOOEOYWVHXIIW-CRAIPNDOSA-N 1 3 335.467 2.590 20 0 EFADHO [NH3+][C@H](CCC(=O)Nc1cnc2c(c1)CNCC2)CC1CCCCC1 ZINC000644103232 481724744 /nfs/dbraw/zinc/72/47/44/481724744.db2.gz MHCHYWDSDREERT-MRXNPFEDSA-N 1 3 330.476 2.744 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662335535 481734121 /nfs/dbraw/zinc/73/41/21/481734121.db2.gz NBYQCPAVMSTFMF-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](c3cc(N4CCNCC4)n[nH]3)C2)c1 ZINC000662335535 481734131 /nfs/dbraw/zinc/73/41/31/481734131.db2.gz NBYQCPAVMSTFMF-GOSISDBHSA-N 1 3 339.487 2.507 20 0 EFADHO C[C@H]1CN(Cc2cc3ccncc3s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000667683332 481736686 /nfs/dbraw/zinc/73/66/86/481736686.db2.gz MNMCANLOFHHBBW-YJBOKZPZSA-N 1 3 344.528 2.754 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000660075590 481741693 /nfs/dbraw/zinc/74/16/93/481741693.db2.gz YYOXWMBIUHRIFU-VQTJNVASSA-N 1 3 327.516 2.818 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCN(CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000660075590 481741705 /nfs/dbraw/zinc/74/17/05/481741705.db2.gz YYOXWMBIUHRIFU-VQTJNVASSA-N 1 3 327.516 2.818 20 0 EFADHO C[C@H]([NH2+]CC1(N)CCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000665248721 481745432 /nfs/dbraw/zinc/74/54/32/481745432.db2.gz BBKLXBQUFHQOBE-HNNXBMFYSA-N 1 3 328.460 2.921 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@@H+]1C ZINC000648795674 481747897 /nfs/dbraw/zinc/74/78/97/481747897.db2.gz WRPMTTDJYWREQX-ANQUJSFKSA-N 1 3 335.517 2.587 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000648795674 481747904 /nfs/dbraw/zinc/74/79/04/481747904.db2.gz WRPMTTDJYWREQX-ANQUJSFKSA-N 1 3 335.517 2.587 20 0 EFADHO NCc1cccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000667724071 481762432 /nfs/dbraw/zinc/76/24/32/481762432.db2.gz VUDWQZAGPNDVGB-UHFFFAOYSA-N 1 3 330.476 2.921 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CCCCC1 ZINC000665276046 481763502 /nfs/dbraw/zinc/76/35/02/481763502.db2.gz XNNLKUXHXNQDET-KZNAEPCWSA-N 1 3 335.536 2.973 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000667732320 481767294 /nfs/dbraw/zinc/76/72/94/481767294.db2.gz GQNSBUKZOHUQSJ-UHFFFAOYSA-N 1 3 338.455 2.715 20 0 EFADHO C[C@@H]1[C@H](NC(=O)Nc2cccc(C[NH3+])c2)CCN1Cc1ccccc1 ZINC000667733464 481769799 /nfs/dbraw/zinc/76/97/99/481769799.db2.gz FVAATYOJZYPUJU-DNVCBOLYSA-N 1 3 338.455 2.930 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(CN)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667736822 481772082 /nfs/dbraw/zinc/77/20/82/481772082.db2.gz SMBVTFDWWVRLNU-ZBFHGGJFSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(CN)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000667736822 481772091 /nfs/dbraw/zinc/77/20/91/481772091.db2.gz SMBVTFDWWVRLNU-ZBFHGGJFSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000660121843 481772192 /nfs/dbraw/zinc/77/21/92/481772192.db2.gz PAQWXYIQAIPDKN-KDURUIRLSA-N 1 3 337.552 2.684 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000665290292 481774993 /nfs/dbraw/zinc/77/49/93/481774993.db2.gz SHICRXPZFMFEKG-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000665290292 481775003 /nfs/dbraw/zinc/77/50/03/481775003.db2.gz SHICRXPZFMFEKG-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386838 481777326 /nfs/dbraw/zinc/77/73/26/481777326.db2.gz NYAOZUIVGXZGRY-HOTGVXAUSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662389024 481778713 /nfs/dbraw/zinc/77/87/13/481778713.db2.gz SASCIKZWTSQNJE-AWEZNQCLSA-N 1 3 335.517 2.636 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662389024 481778723 /nfs/dbraw/zinc/77/87/23/481778723.db2.gz SASCIKZWTSQNJE-AWEZNQCLSA-N 1 3 335.517 2.636 20 0 EFADHO CC(C)NCC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000662387292 481778805 /nfs/dbraw/zinc/77/88/05/481778805.db2.gz RPDGVFUEXPEFGW-IAGOWNOFSA-N 1 3 331.504 2.779 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662388159 481779104 /nfs/dbraw/zinc/77/91/04/481779104.db2.gz JTVQENGWHIKTGK-CQSZACIVSA-N 1 3 335.517 2.778 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cc2c(s1)CCNC2 ZINC000662388159 481779109 /nfs/dbraw/zinc/77/91/09/481779109.db2.gz JTVQENGWHIKTGK-CQSZACIVSA-N 1 3 335.517 2.778 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662389418 481780857 /nfs/dbraw/zinc/78/08/57/481780857.db2.gz XDYCBRKBGXCCNX-YJBOKZPZSA-N 1 3 329.488 2.527 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)c2cc3c(s2)CCNC3)([NH+](C)C)C1 ZINC000662400908 481786000 /nfs/dbraw/zinc/78/60/00/481786000.db2.gz IQHOOGKKMHEWNI-UGSOOPFHSA-N 1 3 335.517 2.634 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662406178 481790487 /nfs/dbraw/zinc/79/04/87/481790487.db2.gz DALWMVUOGRTROB-YYAJDYIMSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662406178 481790492 /nfs/dbraw/zinc/79/04/92/481790492.db2.gz DALWMVUOGRTROB-YYAJDYIMSA-N 1 3 329.488 2.704 20 0 EFADHO C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C)C1CC[NH+](C)CC1 ZINC000651465109 481792558 /nfs/dbraw/zinc/79/25/58/481792558.db2.gz LGVQRKPYLOYVBP-OAGGEKHMSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H](N[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000651465111 481792775 /nfs/dbraw/zinc/79/27/75/481792775.db2.gz LGVQRKPYLOYVBP-XHSDSOJGSA-N 1 3 329.488 2.673 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648863808 481795439 /nfs/dbraw/zinc/79/54/39/481795439.db2.gz XYNQRCYFUBPXSA-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648863808 481795447 /nfs/dbraw/zinc/79/54/47/481795447.db2.gz XYNQRCYFUBPXSA-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654355312 481816145 /nfs/dbraw/zinc/81/61/45/481816145.db2.gz MKIPAIAYGXCIOU-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654355312 481816150 /nfs/dbraw/zinc/81/61/50/481816150.db2.gz MKIPAIAYGXCIOU-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467761 481821173 /nfs/dbraw/zinc/82/11/73/481821173.db2.gz FFQVDLFXYDJFLI-IBGZPJMESA-N 1 3 327.472 2.698 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662467761 481821180 /nfs/dbraw/zinc/82/11/80/481821180.db2.gz FFQVDLFXYDJFLI-IBGZPJMESA-N 1 3 327.472 2.698 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662474087 481825238 /nfs/dbraw/zinc/82/52/38/481825238.db2.gz SZFNUEPTGDEZHR-UHFFFAOYSA-N 1 3 335.517 2.588 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc2c1CNC2 ZINC000662481911 481831919 /nfs/dbraw/zinc/83/19/19/481831919.db2.gz FCKLABOOMPXCTL-GOSISDBHSA-N 1 3 349.478 2.884 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc2c1CNC2 ZINC000662481911 481831928 /nfs/dbraw/zinc/83/19/28/481831928.db2.gz FCKLABOOMPXCTL-GOSISDBHSA-N 1 3 349.478 2.884 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000654380302 481837366 /nfs/dbraw/zinc/83/73/66/481837366.db2.gz CNRTZCXKLJRGJB-MOPGFXCFSA-N 1 3 344.503 2.564 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCC4)C2)CC1 ZINC000644385624 481848864 /nfs/dbraw/zinc/84/88/64/481848864.db2.gz BGJFBCJIZPOBRT-FQEVSTJZSA-N 1 3 327.516 2.824 20 0 EFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000660241338 481852998 /nfs/dbraw/zinc/85/29/98/481852998.db2.gz FUGLKZPJMVBBFT-UXHICEINSA-N 1 3 333.520 2.504 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](CN1CCCCC1)c1ccccc1 ZINC000660241338 481853001 /nfs/dbraw/zinc/85/30/01/481853001.db2.gz FUGLKZPJMVBBFT-UXHICEINSA-N 1 3 333.520 2.504 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000640218596 481859618 /nfs/dbraw/zinc/85/96/18/481859618.db2.gz HRBXIJAJRJEDTB-CCKFTAQKSA-N 1 3 340.471 2.608 20 0 EFADHO CN(C)C[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)c1ccc(Cl)cc1 ZINC000662531561 481862993 /nfs/dbraw/zinc/86/29/93/481862993.db2.gz HWDAMSBZTUGLJQ-GOSISDBHSA-N 1 3 343.858 2.976 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000654429017 481866544 /nfs/dbraw/zinc/86/65/44/481866544.db2.gz FETHDVDGXKBAFS-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000654429017 481866539 /nfs/dbraw/zinc/86/65/39/481866539.db2.gz FETHDVDGXKBAFS-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654451417 481879076 /nfs/dbraw/zinc/87/90/76/481879076.db2.gz VBXDHCQJPYVOKN-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654451417 481879079 /nfs/dbraw/zinc/87/90/79/481879079.db2.gz VBXDHCQJPYVOKN-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000662570757 481880155 /nfs/dbraw/zinc/88/01/55/481880155.db2.gz HZGOORROTLRLMY-HNNXBMFYSA-N 1 3 342.468 2.783 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662588692 481888454 /nfs/dbraw/zinc/88/84/54/481888454.db2.gz FFIHYNVDWXTYTP-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000662587579 481888778 /nfs/dbraw/zinc/88/87/78/481888778.db2.gz HXPYXBXWSFKXHL-SNRMKQJTSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000654469425 481889459 /nfs/dbraw/zinc/88/94/59/481889459.db2.gz ZDADFASBGDDQHC-ZWKOTPCHSA-N 1 3 338.540 2.811 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)C(C)C ZINC000654469423 481889903 /nfs/dbraw/zinc/88/99/03/481889903.db2.gz ZDADFASBGDDQHC-QZTJIDSGSA-N 1 3 338.540 2.811 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662592285 481891345 /nfs/dbraw/zinc/89/13/45/481891345.db2.gz IRCOBDLUHJAGRF-WBVHZDCISA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000662592285 481891347 /nfs/dbraw/zinc/89/13/47/481891347.db2.gz IRCOBDLUHJAGRF-WBVHZDCISA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@H](N)c1ccccc1 ZINC000662596475 481892454 /nfs/dbraw/zinc/89/24/54/481892454.db2.gz STBJTOJTTNPIGY-OALUTQOASA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000662596477 481892671 /nfs/dbraw/zinc/89/26/71/481892671.db2.gz STBJTOJTTNPIGY-RBUKOAKNSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@H](C(=O)N(C)CC(C)(C)[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000662611332 481898355 /nfs/dbraw/zinc/89/83/55/481898355.db2.gz YIULBXGADHHHSU-MRXNPFEDSA-N 1 3 331.504 2.525 20 0 EFADHO CC1CC[NH+](CCCCNCc2cnnn2-c2ccccc2)CC1 ZINC000651679310 481901896 /nfs/dbraw/zinc/90/18/96/481901896.db2.gz WRVXCMYEZONPIW-UHFFFAOYSA-N 1 3 327.476 2.869 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000654527669 481918113 /nfs/dbraw/zinc/91/81/13/481918113.db2.gz BORIWBDTFFCEGD-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662661181 481921213 /nfs/dbraw/zinc/92/12/13/481921213.db2.gz MENQIEQFWVDRIZ-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO [NH3+]C1(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC2(CCC2)C1 ZINC000662666505 481923230 /nfs/dbraw/zinc/92/32/30/481923230.db2.gz SXGLGYDDWSQFEI-CQSZACIVSA-N 1 3 333.501 2.663 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000660379997 481924693 /nfs/dbraw/zinc/92/46/93/481924693.db2.gz XIHCMXUXKBFDOG-QGZVFWFLSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000662668513 481924695 /nfs/dbraw/zinc/92/46/95/481924695.db2.gz NTZXEBKJPGMBQI-IEZWGBDMSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](N)c1ccccc1 ZINC000662668513 481924698 /nfs/dbraw/zinc/92/46/98/481924698.db2.gz NTZXEBKJPGMBQI-IEZWGBDMSA-N 1 3 329.488 2.846 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)c1cccc(OC)c1 ZINC000662670431 481926154 /nfs/dbraw/zinc/92/61/54/481926154.db2.gz KKRGJOQBCIBZIA-ROUUACIJSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662682174 481931983 /nfs/dbraw/zinc/93/19/83/481931983.db2.gz HLYWYDSDSRBZGO-INIZCTEOSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662682174 481931989 /nfs/dbraw/zinc/93/19/89/481931989.db2.gz HLYWYDSDSRBZGO-INIZCTEOSA-N 1 3 329.488 2.574 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000665556040 481932485 /nfs/dbraw/zinc/93/24/85/481932485.db2.gz PSRXCQCHKDDSGM-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000662694829 481936927 /nfs/dbraw/zinc/93/69/27/481936927.db2.gz UDLLJTSOOFCTNG-SJLPKXTDSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662696165 481937690 /nfs/dbraw/zinc/93/76/90/481937690.db2.gz VBVPDJAAQNGHEP-OAHLLOKOSA-N 1 3 329.488 2.573 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662696165 481937696 /nfs/dbraw/zinc/93/76/96/481937696.db2.gz VBVPDJAAQNGHEP-OAHLLOKOSA-N 1 3 329.488 2.573 20 0 EFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668027487 481941594 /nfs/dbraw/zinc/94/15/94/481941594.db2.gz KFAAJRBSZXZNLX-LJQANCHMSA-N 1 3 330.472 2.915 20 0 EFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668027487 481941597 /nfs/dbraw/zinc/94/15/97/481941597.db2.gz KFAAJRBSZXZNLX-LJQANCHMSA-N 1 3 330.472 2.915 20 0 EFADHO C[NH+]1CCC2(CCCN2Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668027487 481941599 /nfs/dbraw/zinc/94/15/99/481941599.db2.gz KFAAJRBSZXZNLX-LJQANCHMSA-N 1 3 330.472 2.915 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720600 481948200 /nfs/dbraw/zinc/94/82/00/481948200.db2.gz BIYNRTOXCMLJHH-CRAIPNDOSA-N 1 3 329.488 2.716 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000654586670 481949159 /nfs/dbraw/zinc/94/91/59/481949159.db2.gz XPXVANDUZIWSHC-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc2cnccc2o1 ZINC000651808227 481959416 /nfs/dbraw/zinc/95/94/16/481959416.db2.gz JPBIEMVAFANHCL-KRWDZBQOSA-N 1 3 330.476 2.676 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc2cnccc2o1 ZINC000651808227 481959421 /nfs/dbraw/zinc/95/94/21/481959421.db2.gz JPBIEMVAFANHCL-KRWDZBQOSA-N 1 3 330.476 2.676 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2cnccc2o1 ZINC000651808228 481959803 /nfs/dbraw/zinc/95/98/03/481959803.db2.gz JPBIEMVAFANHCL-QGZVFWFLSA-N 1 3 330.476 2.676 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc2cnccc2o1 ZINC000651808228 481959804 /nfs/dbraw/zinc/95/98/04/481959804.db2.gz JPBIEMVAFANHCL-QGZVFWFLSA-N 1 3 330.476 2.676 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cc4cnccc4o3)CC2)CC1 ZINC000651833687 481969465 /nfs/dbraw/zinc/96/94/65/481969465.db2.gz LEZQTUJGAGZYIG-UHFFFAOYSA-N 1 3 342.487 2.820 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc4cnccc4o3)CC2)CC1 ZINC000651833687 481969470 /nfs/dbraw/zinc/96/94/70/481969470.db2.gz LEZQTUJGAGZYIG-UHFFFAOYSA-N 1 3 342.487 2.820 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cc4cnccc4o3)CC2)CC1 ZINC000651833687 481969480 /nfs/dbraw/zinc/96/94/80/481969480.db2.gz LEZQTUJGAGZYIG-UHFFFAOYSA-N 1 3 342.487 2.820 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc3c2CCNC3)C1 ZINC000662788625 481969839 /nfs/dbraw/zinc/96/98/39/481969839.db2.gz PIHFAMYWPAYURN-NUJGCVRESA-N 1 3 341.499 2.810 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095463 481975177 /nfs/dbraw/zinc/97/51/77/481975177.db2.gz JUTLPSQTFBIDIM-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095463 481975181 /nfs/dbraw/zinc/97/51/81/481975181.db2.gz JUTLPSQTFBIDIM-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000668114898 481982826 /nfs/dbraw/zinc/98/28/26/481982826.db2.gz JBFNLAMXSFXLTI-YLJYHZDGSA-N 1 3 330.472 2.817 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000668146546 481997559 /nfs/dbraw/zinc/99/75/59/481997559.db2.gz KPRFRPBCTKHYHX-NHJHPMQKSA-N 1 3 330.472 2.911 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(O[C@@H]3CCOC3)cc1)C2 ZINC000668146546 481997563 /nfs/dbraw/zinc/99/75/63/481997563.db2.gz KPRFRPBCTKHYHX-NHJHPMQKSA-N 1 3 330.472 2.911 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(O[C@H]3CCOC3)cc1)C2 ZINC000668146547 481998055 /nfs/dbraw/zinc/99/80/55/481998055.db2.gz KPRFRPBCTKHYHX-WMWLNJEOSA-N 1 3 330.472 2.911 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(O[C@H]3CCOC3)cc1)C2 ZINC000668146547 481998062 /nfs/dbraw/zinc/99/80/62/481998062.db2.gz KPRFRPBCTKHYHX-WMWLNJEOSA-N 1 3 330.472 2.911 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000668158813 482006003 /nfs/dbraw/zinc/00/60/03/482006003.db2.gz ASTPSTUWIQRSIU-MJGOQNOKSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000668158813 482006006 /nfs/dbraw/zinc/00/60/06/482006006.db2.gz ASTPSTUWIQRSIU-MJGOQNOKSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000668158813 482006009 /nfs/dbraw/zinc/00/60/09/482006009.db2.gz ASTPSTUWIQRSIU-MJGOQNOKSA-N 1 3 334.504 2.963 20 0 EFADHO CCOc1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000668158143 482006429 /nfs/dbraw/zinc/00/64/29/482006429.db2.gz JRCRCUTWFYOGAW-UHFFFAOYSA-N 1 3 333.520 2.852 20 0 EFADHO CCOc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000668158143 482006435 /nfs/dbraw/zinc/00/64/35/482006435.db2.gz JRCRCUTWFYOGAW-UHFFFAOYSA-N 1 3 333.520 2.852 20 0 EFADHO CN(Cc1cc2ccncc2s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162339 482007566 /nfs/dbraw/zinc/00/75/66/482007566.db2.gz WXGDBKXNGDBGSU-KRWDZBQOSA-N 1 3 344.528 2.897 20 0 EFADHO CN(Cc1cc2ccncc2s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668162339 482007570 /nfs/dbraw/zinc/00/75/70/482007570.db2.gz WXGDBKXNGDBGSU-KRWDZBQOSA-N 1 3 344.528 2.897 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CNCCC2(F)F)c1 ZINC000649295538 482017406 /nfs/dbraw/zinc/01/74/06/482017406.db2.gz WQBZXOQBRRIKRE-OAHLLOKOSA-N 1 3 325.403 2.712 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000654729335 482018090 /nfs/dbraw/zinc/01/80/90/482018090.db2.gz RVDXYAWWTYKALQ-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[N@H+](C2CCCC2)CC1 ZINC000654729335 482018094 /nfs/dbraw/zinc/01/80/94/482018094.db2.gz RVDXYAWWTYKALQ-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000654728048 482018319 /nfs/dbraw/zinc/01/83/19/482018319.db2.gz ALDYHJYOAOGSPO-OTWHNJEPSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000662973061 482021117 /nfs/dbraw/zinc/02/11/17/482021117.db2.gz VFEWRHCEOIXHAF-IBGZPJMESA-N 1 3 343.515 2.951 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654731914 482022358 /nfs/dbraw/zinc/02/23/58/482022358.db2.gz PKGJZPNHBZNBPE-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000649308912 482023216 /nfs/dbraw/zinc/02/32/16/482023216.db2.gz HAMHVGKGLMIZCM-QGZVFWFLSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@H+](C2CCC2)C1 ZINC000654735438 482025974 /nfs/dbraw/zinc/02/59/74/482025974.db2.gz UOFUZFVHEQVFAK-UHOSZYNNSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC[N@@H+](C2CCC2)C1 ZINC000654735438 482025971 /nfs/dbraw/zinc/02/59/71/482025971.db2.gz UOFUZFVHEQVFAK-UHOSZYNNSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@@H+](C2CCC2)C1 ZINC000654735440 482026321 /nfs/dbraw/zinc/02/63/21/482026321.db2.gz UOFUZFVHEQVFAK-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC[N@H+](C2CCC2)C1 ZINC000654735440 482026326 /nfs/dbraw/zinc/02/63/26/482026326.db2.gz UOFUZFVHEQVFAK-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)([NH3+])CCC(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000649351813 482037088 /nfs/dbraw/zinc/03/70/88/482037088.db2.gz UYAJDVSWHOFDFJ-UHFFFAOYSA-N 1 3 344.503 2.675 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CC4)CC3)CC2)CC1 ZINC000654767309 482043830 /nfs/dbraw/zinc/04/38/30/482043830.db2.gz UFLRFUPLQDVLBY-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000649368372 482044364 /nfs/dbraw/zinc/04/43/64/482044364.db2.gz IHTILMCLGUWFMG-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000668240586 482047559 /nfs/dbraw/zinc/04/75/59/482047559.db2.gz MJYFQZXBKPYNLD-HSALFYBXSA-N 1 3 341.499 2.662 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000649377125 482049565 /nfs/dbraw/zinc/04/95/65/482049565.db2.gz QITVQQRFZJGGEG-SFHVURJKSA-N 1 3 344.503 2.679 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638287 482063526 /nfs/dbraw/zinc/06/35/26/482063526.db2.gz BLMYDRUHQQGTSI-HKUYNNGSSA-N 1 3 345.512 2.907 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638287 482063529 /nfs/dbraw/zinc/06/35/29/482063529.db2.gz BLMYDRUHQQGTSI-HKUYNNGSSA-N 1 3 345.512 2.907 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](n3ccnc3C)C2)cc1 ZINC000649413198 482066664 /nfs/dbraw/zinc/06/66/64/482066664.db2.gz PBDFBXGQGIEIHQ-ZWKOTPCHSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](n3ccnc3C)C2)cc1 ZINC000649413198 482066665 /nfs/dbraw/zinc/06/66/65/482066665.db2.gz PBDFBXGQGIEIHQ-ZWKOTPCHSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc(C)cc1CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649411378 482066677 /nfs/dbraw/zinc/06/66/77/482066677.db2.gz PNKUSWHHUZIWDL-GOSISDBHSA-N 1 3 331.504 2.511 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668300710 482077680 /nfs/dbraw/zinc/07/76/80/482077680.db2.gz UEKSPZUNEDZALU-IBGZPJMESA-N 1 3 331.504 2.666 20 0 EFADHO C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660678779 482090241 /nfs/dbraw/zinc/09/02/41/482090241.db2.gz KCXBNODCOFLQET-QGZVFWFLSA-N 1 3 329.488 2.642 20 0 EFADHO O=C(CC[NH+]1CCC(NCc2ccccc2)CC1)N1CCCCC1 ZINC000660679658 482090339 /nfs/dbraw/zinc/09/03/39/482090339.db2.gz RIVSUXUBMIBHEN-UHFFFAOYSA-N 1 3 329.488 2.643 20 0 EFADHO CCCCCN(CCNC(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000652228350 482135015 /nfs/dbraw/zinc/13/50/15/482135015.db2.gz CHHRVLFCSBMLDF-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO C[N@H+](C[C@H](O)CN1CCC2(CCc3ccccc3C2)CC1)C1CC1 ZINC000649647312 482167265 /nfs/dbraw/zinc/16/72/65/482167265.db2.gz ISNVUVSKLZPCTL-FQEVSTJZSA-N 1 3 328.500 2.713 20 0 EFADHO C[N@@H+](C[C@H](O)CN1CCC2(CCc3ccccc3C2)CC1)C1CC1 ZINC000649647312 482167268 /nfs/dbraw/zinc/16/72/68/482167268.db2.gz ISNVUVSKLZPCTL-FQEVSTJZSA-N 1 3 328.500 2.713 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652314084 482170757 /nfs/dbraw/zinc/17/07/57/482170757.db2.gz UCHYHZQBQWKFGW-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668575691 482174015 /nfs/dbraw/zinc/17/40/15/482174015.db2.gz NHHMJDBOBMHJIP-VQTJNVASSA-N 1 3 343.515 2.857 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4cccc(Cl)c4C3)C2)CC1 ZINC000666090266 482177722 /nfs/dbraw/zinc/17/77/22/482177722.db2.gz SKCHKNTVFZOYMW-IAGOWNOFSA-N 1 3 347.934 2.955 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088745 482177782 /nfs/dbraw/zinc/17/77/82/482177782.db2.gz PXFWDUDIQUGLHR-KRWDZBQOSA-N 1 3 335.923 2.815 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000652349434 482183489 /nfs/dbraw/zinc/18/34/89/482183489.db2.gz ORMDVYUGDXBTDY-XPKDYRNWSA-N 1 3 343.393 2.819 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355718 482190782 /nfs/dbraw/zinc/19/07/82/482190782.db2.gz FBJMNVQQGZDKHI-NVXWUHKLSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CCN ZINC000652355718 482190789 /nfs/dbraw/zinc/19/07/89/482190789.db2.gz FBJMNVQQGZDKHI-NVXWUHKLSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355718 482190794 /nfs/dbraw/zinc/19/07/94/482190794.db2.gz FBJMNVQQGZDKHI-NVXWUHKLSA-N 1 3 333.476 2.863 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000663449857 482244205 /nfs/dbraw/zinc/24/42/05/482244205.db2.gz GLCKLWDYGWJEFM-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO c1ccc(CN2CC[C@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000668766402 482252309 /nfs/dbraw/zinc/25/23/09/482252309.db2.gz RIGODUVWYADEFJ-NRFANRHFSA-N 1 3 336.483 2.915 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467418 482254421 /nfs/dbraw/zinc/25/44/21/482254421.db2.gz FQXKRZOOCUYSPG-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467418 482254429 /nfs/dbraw/zinc/25/44/29/482254429.db2.gz FQXKRZOOCUYSPG-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCN(CC2CC2)C1 ZINC000663467418 482254431 /nfs/dbraw/zinc/25/44/31/482254431.db2.gz FQXKRZOOCUYSPG-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668800031 482270446 /nfs/dbraw/zinc/27/04/46/482270446.db2.gz VYEJEQJKGIHUPS-UYAOXDASSA-N 1 3 343.515 2.666 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000663580299 482307344 /nfs/dbraw/zinc/30/73/44/482307344.db2.gz OULIBWPVSNDXBI-QGZVFWFLSA-N 1 3 346.519 2.599 20 0 EFADHO O[C@H](C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1)CN1CCCC1 ZINC000649875177 482307421 /nfs/dbraw/zinc/30/74/21/482307421.db2.gz ATKCKPARSFPWDU-RHSMWYFYSA-N 1 3 326.843 2.977 20 0 EFADHO CN(CC[NH+]1CCCCC1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000649889718 482312351 /nfs/dbraw/zinc/31/23/51/482312351.db2.gz LJQPVVMMPRJHOL-OAQYLSRUSA-N 1 3 345.531 2.695 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000666397900 482315346 /nfs/dbraw/zinc/31/53/46/482315346.db2.gz BCMRCAMFSCQCMF-UHFFFAOYSA-N 1 3 340.471 2.797 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663599542 482316989 /nfs/dbraw/zinc/31/69/89/482316989.db2.gz KGEVUDYTRMNHJH-INIZCTEOSA-N 1 3 330.476 2.697 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663599542 482316995 /nfs/dbraw/zinc/31/69/95/482316995.db2.gz KGEVUDYTRMNHJH-INIZCTEOSA-N 1 3 330.476 2.697 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000661122570 482334784 /nfs/dbraw/zinc/33/47/84/482334784.db2.gz XHXUVCOJCYLTEQ-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000661122570 482334791 /nfs/dbraw/zinc/33/47/91/482334791.db2.gz XHXUVCOJCYLTEQ-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000669129435 482385311 /nfs/dbraw/zinc/38/53/11/482385311.db2.gz ZZNLHWYHRAHEGC-MISYRCLQSA-N 1 3 343.515 2.807 20 0 EFADHO c1ncn([C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000663917931 482422620 /nfs/dbraw/zinc/42/26/20/482422620.db2.gz PHNFOPIORIYIPU-LJQANCHMSA-N 1 3 325.460 2.711 20 0 EFADHO CCCNC(=O)CC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131407 519872896 /nfs/dbraw/zinc/87/28/96/519872896.db2.gz NZIZQJHNODFGBC-AABGKKOBSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131407 519872898 /nfs/dbraw/zinc/87/28/98/519872898.db2.gz NZIZQJHNODFGBC-AABGKKOBSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131407 519872900 /nfs/dbraw/zinc/87/29/00/519872900.db2.gz NZIZQJHNODFGBC-AABGKKOBSA-N 1 3 343.515 2.793 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245455705 520247692 /nfs/dbraw/zinc/24/76/92/520247692.db2.gz SSKCWJNQIVEYIP-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245455705 520247697 /nfs/dbraw/zinc/24/76/97/520247697.db2.gz SSKCWJNQIVEYIP-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181492343 520547836 /nfs/dbraw/zinc/54/78/36/520547836.db2.gz VLFYUSJBXRKRJX-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCC2 ZINC000181493450 520573438 /nfs/dbraw/zinc/57/34/38/520573438.db2.gz NKJSFLPIZGDRND-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116519514 520674838 /nfs/dbraw/zinc/67/48/38/520674838.db2.gz KHUSSPCRXVWTFQ-QGZVFWFLSA-N 1 3 346.519 2.853 20 0 EFADHO CCCC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236695678 521062613 /nfs/dbraw/zinc/06/26/13/521062613.db2.gz ZQVCOSYNCYGGBB-RTBURBONSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236695678 521062620 /nfs/dbraw/zinc/06/26/20/521062620.db2.gz ZQVCOSYNCYGGBB-RTBURBONSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000236735533 521063957 /nfs/dbraw/zinc/06/39/57/521063957.db2.gz IYVVCYWWNJOLET-FUHWJXTLSA-N 1 3 347.503 2.520 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1CCC(C)CC1 ZINC000135824811 521304585 /nfs/dbraw/zinc/30/45/85/521304585.db2.gz OLIQOBSDVURUOO-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO CCCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CC[NH2+]C1 ZINC000178926324 521433975 /nfs/dbraw/zinc/43/39/75/521433975.db2.gz ZBMJMYZLZVDTPL-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC(CC)C1CC(NC(=O)N2CCC3CCC(C2)[N@@H+]3C)CCO1 ZINC000245924880 521612498 /nfs/dbraw/zinc/61/24/98/521612498.db2.gz HLBBJQPNQFWMJH-BDXSIMOUSA-N 1 3 337.508 2.848 20 0 EFADHO CCC(CC)C1CC(NC(=O)N2CCC3CCC(C2)[N@H+]3C)CCO1 ZINC000245924880 521612503 /nfs/dbraw/zinc/61/25/03/521612503.db2.gz HLBBJQPNQFWMJH-BDXSIMOUSA-N 1 3 337.508 2.848 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000121342955 521685070 /nfs/dbraw/zinc/68/50/70/521685070.db2.gz KDOZHLLIJFTCJJ-DLBZAZTESA-N 1 3 349.519 2.628 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154086561 521707175 /nfs/dbraw/zinc/70/71/75/521707175.db2.gz WRLGKOSDUCTVPI-KURKYZTESA-N 1 3 337.508 2.609 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@H](CC)N2CCCC2)[C@@H](C)C1 ZINC000151674719 521707395 /nfs/dbraw/zinc/70/73/95/521707395.db2.gz ODXZTERVEQVFLZ-GBESFXJTSA-N 1 3 325.541 2.587 20 0 EFADHO CCS[C@@H]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076067812 521727165 /nfs/dbraw/zinc/72/71/65/521727165.db2.gz UDEUOMCQBNEWID-IAGOWNOFSA-N 1 3 341.565 2.581 20 0 EFADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183143140 522000249 /nfs/dbraw/zinc/00/02/49/522000249.db2.gz UVTMBYNTKVDGNZ-BURNTYAHSA-N 1 3 346.515 2.664 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000059263063 522017455 /nfs/dbraw/zinc/01/74/55/522017455.db2.gz PXMZYMREDYSSJX-IBGZPJMESA-N 1 3 346.519 2.901 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118843712 522678276 /nfs/dbraw/zinc/67/82/76/522678276.db2.gz HNJCYFSMBMLVAZ-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CN(CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843712 522678282 /nfs/dbraw/zinc/67/82/82/522678282.db2.gz HNJCYFSMBMLVAZ-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000236909996 523171255 /nfs/dbraw/zinc/17/12/55/523171255.db2.gz FSJWIAYHEXTZPA-LJQANCHMSA-N 1 3 343.515 2.689 20 0 EFADHO CO[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000246066993 523596558 /nfs/dbraw/zinc/59/65/58/523596558.db2.gz BUNDWVIDRSNVGS-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000246066993 523596569 /nfs/dbraw/zinc/59/65/69/523596569.db2.gz BUNDWVIDRSNVGS-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@@H]1CCCN(Cc2ccc(C[N@@H+]3CCC[C@@H](OC)C3)cc2)C1 ZINC000246068982 523598256 /nfs/dbraw/zinc/59/82/56/523598256.db2.gz CACFWHJNWDXPIW-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@@H]1CCCN(Cc2ccc(C[N@H+]3CCC[C@@H](OC)C3)cc2)C1 ZINC000246068982 523598287 /nfs/dbraw/zinc/59/82/87/523598287.db2.gz CACFWHJNWDXPIW-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC000263073693 524049166 /nfs/dbraw/zinc/04/91/66/524049166.db2.gz WUVOXWHCPFGMSM-BJLQDIEVSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1cccc(C)c1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000180197543 524254769 /nfs/dbraw/zinc/25/47/69/524254769.db2.gz DEVYCWGNTPKPLG-UHFFFAOYSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000089516670 524558417 /nfs/dbraw/zinc/55/84/17/524558417.db2.gz WUWZWILLGVJJGX-WFASDCNBSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000089516670 524558420 /nfs/dbraw/zinc/55/84/20/524558420.db2.gz WUWZWILLGVJJGX-WFASDCNBSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]1C[C@@H](NCCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000181357664 524803807 /nfs/dbraw/zinc/80/38/07/524803807.db2.gz AQTBDTFRVOHLPQ-WFASDCNBSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@H]1C[C@@H](NCCNc2cccc(Br)c2)CC[N@H+]1C ZINC000181357664 524803818 /nfs/dbraw/zinc/80/38/18/524803818.db2.gz AQTBDTFRVOHLPQ-WFASDCNBSA-N 1 3 326.282 2.933 20 0 EFADHO Cc1ccc(F)cc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341518 524861208 /nfs/dbraw/zinc/86/12/08/524861208.db2.gz YKVZLSPNDMAIFO-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO C[C@@H]([NH3+])c1ccc(NC(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000178190878 525028631 /nfs/dbraw/zinc/02/86/31/525028631.db2.gz UOCXWHFNWPTYPX-OAHLLOKOSA-N 1 3 331.460 2.680 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000071925386 525208018 /nfs/dbraw/zinc/20/80/18/525208018.db2.gz QKVWCQCCQYJDGN-QZTJIDSGSA-N 1 3 338.540 2.530 20 0 EFADHO COc1ccc([C@H](C)NCCOCC[NH+](C)C)cc1Br ZINC000219322338 525319732 /nfs/dbraw/zinc/31/97/32/525319732.db2.gz XOYQQCPASUBWKG-LBPRGKRZSA-N 1 3 345.281 2.687 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636871 525361611 /nfs/dbraw/zinc/36/16/11/525361611.db2.gz MYSHLWFWVVDFPE-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636871 525361618 /nfs/dbraw/zinc/36/16/18/525361618.db2.gz MYSHLWFWVVDFPE-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636871 525361626 /nfs/dbraw/zinc/36/16/26/525361626.db2.gz MYSHLWFWVVDFPE-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000152437107 525417104 /nfs/dbraw/zinc/41/71/04/525417104.db2.gz MZJUZDKGCGNZTK-JKSUJKDBSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(OCCN(C)C)c1 ZINC000090454720 525582569 /nfs/dbraw/zinc/58/25/69/525582569.db2.gz TUFDTBHSVHAUID-WMLDXEAASA-N 1 3 328.460 2.558 20 0 EFADHO CS[C@@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183144779 525820060 /nfs/dbraw/zinc/82/00/60/525820060.db2.gz HMUQZXXFLVKIPR-XCZFOBESSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144779 525820070 /nfs/dbraw/zinc/82/00/70/525820070.db2.gz HMUQZXXFLVKIPR-XCZFOBESSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@@H](CO)[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144779 525820081 /nfs/dbraw/zinc/82/00/81/525820081.db2.gz HMUQZXXFLVKIPR-XCZFOBESSA-N 1 3 348.556 2.989 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000263118242 525861990 /nfs/dbraw/zinc/86/19/90/525861990.db2.gz ATGHHUYMVTYSHW-TZIWHRDSSA-N 1 3 343.515 2.717 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000245890773 526252315 /nfs/dbraw/zinc/25/23/15/526252315.db2.gz CEUIREUZFLYQET-BZUAXINKSA-N 1 3 328.497 2.586 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179178174 526286288 /nfs/dbraw/zinc/28/62/88/526286288.db2.gz HRMMASSKPNITGJ-GIVPXCGWSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179178174 526286289 /nfs/dbraw/zinc/28/62/89/526286289.db2.gz HRMMASSKPNITGJ-GIVPXCGWSA-N 1 3 344.499 2.513 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)oc1C ZINC000192856279 526851889 /nfs/dbraw/zinc/85/18/89/526851889.db2.gz SHZZJNSUUFVJCG-YQQQUEKLSA-N 1 3 346.519 2.718 20 0 EFADHO O=C(C[NH2+]CC1CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763686 526878709 /nfs/dbraw/zinc/87/87/09/526878709.db2.gz NSZONBDFWQWVAV-OAQYLSRUSA-N 1 3 341.499 2.501 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc(Br)cc3)C[C@H]21 ZINC000228473026 527354409 /nfs/dbraw/zinc/35/44/09/527354409.db2.gz QOSCEVLSTOKOMN-DAXOMENPSA-N 1 3 339.277 2.887 20 0 EFADHO Cc1nccn1CCCC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182987755 527393197 /nfs/dbraw/zinc/39/31/97/527393197.db2.gz PWMHFECVTDXIPU-UHFFFAOYSA-N 1 3 348.535 2.796 20 0 EFADHO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000363374155 527439083 /nfs/dbraw/zinc/43/90/83/527439083.db2.gz NWOMZGSFMFANMD-KRWDZBQOSA-N 1 3 330.476 2.608 20 0 EFADHO O=C(Nc1ccccn1)[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000363374155 527439086 /nfs/dbraw/zinc/43/90/86/527439086.db2.gz NWOMZGSFMFANMD-KRWDZBQOSA-N 1 3 330.476 2.608 20 0 EFADHO Cc1nn(C)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177507732 527629616 /nfs/dbraw/zinc/62/96/16/527629616.db2.gz RMQMMTRVLBLXII-HZPDHXFCSA-N 1 3 348.535 2.748 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000187014754 528663039 /nfs/dbraw/zinc/66/30/39/528663039.db2.gz CHKRQXZLHOXSRZ-VQIMIIECSA-N 1 3 348.487 2.700 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944454 529144937 /nfs/dbraw/zinc/14/49/37/529144937.db2.gz COBHJFZHJOLTCH-GOSISDBHSA-N 1 3 335.467 2.657 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000181944472 529145121 /nfs/dbraw/zinc/14/51/21/529145121.db2.gz COBHJFZHJOLTCH-SFHVURJKSA-N 1 3 335.467 2.657 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000435384513 534934532 /nfs/dbraw/zinc/93/45/32/534934532.db2.gz MRTPGKBVYQHRCW-UXHICEINSA-N 1 3 342.531 2.545 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N(C)CCN(C)C1CC1)[NH+]1CCCC1 ZINC000353025166 535105279 /nfs/dbraw/zinc/10/52/79/535105279.db2.gz HXJZUDGUTVBGLA-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000356233320 535149479 /nfs/dbraw/zinc/14/94/79/535149479.db2.gz PTBPEEYWAMYBLV-QFBILLFUSA-N 1 3 331.504 2.914 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417012966 535191584 /nfs/dbraw/zinc/19/15/84/535191584.db2.gz BHEWGTYXAKKZDE-KRWDZBQOSA-N 1 3 332.492 2.640 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418495615 535211048 /nfs/dbraw/zinc/21/10/48/535211048.db2.gz BNZAWEBYAGKQTH-OALUTQOASA-N 1 3 342.487 2.854 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418418676 535215384 /nfs/dbraw/zinc/21/53/84/535215384.db2.gz XTADXEPKGHRDIV-SFHVURJKSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000418365433 535219297 /nfs/dbraw/zinc/21/92/97/535219297.db2.gz XMBMGEQLWSEGFP-QZTJIDSGSA-N 1 3 332.492 2.593 20 0 EFADHO CCCN(C)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000359262883 535251205 /nfs/dbraw/zinc/25/12/05/535251205.db2.gz MQTWJDJKENQTHK-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1)[NH+](CC)CC ZINC000433359579 535397822 /nfs/dbraw/zinc/39/78/22/535397822.db2.gz BGLPPNZXNCRIBJ-FHWLQOOXSA-N 1 3 346.519 2.653 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(CC)CC ZINC000344091272 535505691 /nfs/dbraw/zinc/50/56/91/535505691.db2.gz DEBJPTZMYIAAII-OKZBNKHCSA-N 1 3 326.525 2.653 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)C[C@H]2CCCN2C)cc1 ZINC000422013346 535552376 /nfs/dbraw/zinc/55/23/76/535552376.db2.gz CVKARQIMPAQALC-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CCC[C@@]1(CO)CC[N@@H+](C[C@H](C)CN2CC[C@@](CO)(CCC)C2)C1 ZINC000344196175 535563374 /nfs/dbraw/zinc/56/33/74/535563374.db2.gz DSIOOYDNHQSZIF-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@@]1(CO)CC[N@H+](C[C@H](C)CN2CC[C@@](CO)(CCC)C2)C1 ZINC000344196175 535563380 /nfs/dbraw/zinc/56/33/80/535563380.db2.gz DSIOOYDNHQSZIF-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@@]1(CO)CCN(C[C@H](C)C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344196175 535563386 /nfs/dbraw/zinc/56/33/86/535563386.db2.gz DSIOOYDNHQSZIF-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@@]1(CO)CCN(C[C@H](C)C[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344196175 535563392 /nfs/dbraw/zinc/56/33/92/535563392.db2.gz DSIOOYDNHQSZIF-ACDBMABISA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000359662422 535580934 /nfs/dbraw/zinc/58/09/34/535580934.db2.gz GHKXJPVBYIXEGW-SLFFLAALSA-N 1 3 343.515 2.697 20 0 EFADHO CCC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000359662422 535580940 /nfs/dbraw/zinc/58/09/40/535580940.db2.gz GHKXJPVBYIXEGW-SLFFLAALSA-N 1 3 343.515 2.697 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)c1oc2ccccc2c1CN(C)C ZINC000346152665 535589475 /nfs/dbraw/zinc/58/94/75/535589475.db2.gz PJAHFQQYXGGKEP-AWEZNQCLSA-N 1 3 331.460 2.955 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCCc1cnccc1C)CCN(C)C ZINC000349076886 535593352 /nfs/dbraw/zinc/59/33/52/535593352.db2.gz PYOVECZIBURPHX-FQEVSTJZSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCCc1cnccc1C)CCN(C)C ZINC000349076886 535593358 /nfs/dbraw/zinc/59/33/58/535593358.db2.gz PYOVECZIBURPHX-FQEVSTJZSA-N 1 3 332.536 2.671 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349071344 535595109 /nfs/dbraw/zinc/59/51/09/535595109.db2.gz FZJJVKIINVUOAM-HNNXBMFYSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)c(F)c(F)c1 ZINC000349071344 535595112 /nfs/dbraw/zinc/59/51/12/535595112.db2.gz FZJJVKIINVUOAM-HNNXBMFYSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000347529111 535595740 /nfs/dbraw/zinc/59/57/40/535595740.db2.gz TXSDDSFLTRFUNL-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000347529111 535595745 /nfs/dbraw/zinc/59/57/45/535595745.db2.gz TXSDDSFLTRFUNL-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359217092 535610567 /nfs/dbraw/zinc/61/05/67/535610567.db2.gz CMWALDFBMVHIPG-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427370301 535654075 /nfs/dbraw/zinc/65/40/75/535654075.db2.gz QIVPTFVPFUDPPP-HKUYNNGSSA-N 1 3 331.504 2.966 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000416836611 535658842 /nfs/dbraw/zinc/65/88/42/535658842.db2.gz GTDZHAWZDDJAPB-AZUAARDMSA-N 1 3 346.519 2.758 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)CC(C)C ZINC000343883577 535673525 /nfs/dbraw/zinc/67/35/25/535673525.db2.gz YWAXZOYZPUPAHN-YESZJQIVSA-N 1 3 326.529 2.525 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421818311 535693511 /nfs/dbraw/zinc/69/35/11/535693511.db2.gz ABYYHPWXGQIFRX-SFHVURJKSA-N 1 3 325.541 2.732 20 0 EFADHO CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)n1 ZINC000351713821 535748639 /nfs/dbraw/zinc/74/86/39/535748639.db2.gz XDLGKWXTWDWSIW-PKOBYXMFSA-N 1 3 348.535 2.716 20 0 EFADHO CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)n1 ZINC000351713821 535748646 /nfs/dbraw/zinc/74/86/46/535748646.db2.gz XDLGKWXTWDWSIW-PKOBYXMFSA-N 1 3 348.535 2.716 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418392641 535772341 /nfs/dbraw/zinc/77/23/41/535772341.db2.gz WKSORHANGPNNLW-RTBURBONSA-N 1 3 346.519 2.523 20 0 EFADHO CC[N@@H+]1C[C@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000351719279 535780136 /nfs/dbraw/zinc/78/01/36/535780136.db2.gz LUOLFCYPAXJNDM-PMACEKPBSA-N 1 3 344.547 2.613 20 0 EFADHO CC[N@H+]1C[C@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000351719279 535780142 /nfs/dbraw/zinc/78/01/42/535780142.db2.gz LUOLFCYPAXJNDM-PMACEKPBSA-N 1 3 344.547 2.613 20 0 EFADHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000360572452 535876206 /nfs/dbraw/zinc/87/62/06/535876206.db2.gz KLQRCJUNFGCRRS-SJORKVTESA-N 1 3 330.476 2.611 20 0 EFADHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000360572450 535876859 /nfs/dbraw/zinc/87/68/59/535876859.db2.gz KLQRCJUNFGCRRS-IAGOWNOFSA-N 1 3 330.476 2.611 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000438112437 535893437 /nfs/dbraw/zinc/89/34/37/535893437.db2.gz AJGRXEROLQAVRI-UHFFFAOYSA-N 1 3 334.489 2.681 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000193979568 535905985 /nfs/dbraw/zinc/90/59/85/535905985.db2.gz VQDIDEWEQKXNMI-CEXWTWQISA-N 1 3 330.472 2.674 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000414892703 535912413 /nfs/dbraw/zinc/91/24/13/535912413.db2.gz XMTZLKRRDCKYNQ-QGZVFWFLSA-N 1 3 348.491 2.527 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414327936 535916422 /nfs/dbraw/zinc/91/64/22/535916422.db2.gz PJHMMOVBTHZXSU-IBGZPJMESA-N 1 3 329.488 2.662 20 0 EFADHO CN(CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)Cc1ccccc1 ZINC000341635495 535921272 /nfs/dbraw/zinc/92/12/72/535921272.db2.gz RGBGXHDBNBLYGT-GOSISDBHSA-N 1 3 348.535 2.784 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCCN1C1CC1)C(C)(C)C ZINC000433911200 535923179 /nfs/dbraw/zinc/92/31/79/535923179.db2.gz HLLVILBSMDAHEA-IAGOWNOFSA-N 1 3 338.540 2.669 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000418646092 535977726 /nfs/dbraw/zinc/97/77/26/535977726.db2.gz DVQQMEIBVHGHOX-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000418658076 535978388 /nfs/dbraw/zinc/97/83/88/535978388.db2.gz VIRMDWAZJQYKDS-IBGZPJMESA-N 1 3 346.519 2.766 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418656242 535979729 /nfs/dbraw/zinc/97/97/29/535979729.db2.gz SDVQRGFQSYFICA-KRWDZBQOSA-N 1 3 334.508 2.668 20 0 EFADHO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414332560 536100147 /nfs/dbraw/zinc/10/01/47/536100147.db2.gz DZMHXBWSQMLCSA-PKOBYXMFSA-N 1 3 329.488 2.662 20 0 EFADHO CCc1cc(OC)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349277551 536155945 /nfs/dbraw/zinc/15/59/45/536155945.db2.gz LQHKDLJHPFMDAN-QGZVFWFLSA-N 1 3 345.531 2.858 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000262638790 536345039 /nfs/dbraw/zinc/34/50/39/536345039.db2.gz JJFUEXVQIMHAGA-CABCVRRESA-N 1 3 330.476 2.649 20 0 EFADHO CN(CC[NH+]1CCCC1)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000349065353 536371535 /nfs/dbraw/zinc/37/15/35/536371535.db2.gz ZEVJIVGGNNGANX-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CO[C@H](CC(C)C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419197134 536537038 /nfs/dbraw/zinc/53/70/38/536537038.db2.gz XPTPRYGGAFDBNT-ZIFCJYIRSA-N 1 3 326.525 2.869 20 0 EFADHO COC1([C@@H](C)[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCC1 ZINC000421825729 536706540 /nfs/dbraw/zinc/70/65/40/536706540.db2.gz OYZSCBMWOCGBQL-GOSISDBHSA-N 1 3 346.519 2.531 20 0 EFADHO COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](CN)C3CC3)c2)cc1 ZINC000414811028 536777349 /nfs/dbraw/zinc/77/73/49/536777349.db2.gz VXSRPGZHLQXZTL-LJQANCHMSA-N 1 3 339.439 2.774 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000351472874 536857055 /nfs/dbraw/zinc/85/70/55/536857055.db2.gz BPPBIKJFEZBJES-KXBFYZLASA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000351472874 536857060 /nfs/dbraw/zinc/85/70/60/536857060.db2.gz BPPBIKJFEZBJES-KXBFYZLASA-N 1 3 332.488 2.751 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785433 536866336 /nfs/dbraw/zinc/86/63/36/536866336.db2.gz SSVKHPIJSMLUEN-CABCVRRESA-N 1 3 334.460 2.534 20 0 EFADHO COC(=O)c1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1C ZINC000347915371 536886376 /nfs/dbraw/zinc/88/63/76/536886376.db2.gz CUMRXOVDOMOWTK-HOTGVXAUSA-N 1 3 335.492 2.659 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261545540 545619766 /nfs/dbraw/zinc/61/97/66/545619766.db2.gz BUHWNTZNYUYHRZ-PWIZWCRZSA-N 1 3 337.467 2.713 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1cccs1 ZINC000261810387 545620992 /nfs/dbraw/zinc/62/09/92/545620992.db2.gz RUHKZAYYFBSYFL-AFIMGQEJSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccnn1-c1ccccc1 ZINC000281438848 545661737 /nfs/dbraw/zinc/66/17/37/545661737.db2.gz CQIYQGSUZAMSER-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000282205435 545666805 /nfs/dbraw/zinc/66/68/05/545666805.db2.gz HDIWMAQCPRAEKR-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO CN(C(=O)c1cccc2c1CC[NH2+]C2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000311942842 545808885 /nfs/dbraw/zinc/80/88/85/545808885.db2.gz JUXQIBLOBAJBJK-IBGZPJMESA-N 1 3 349.478 2.679 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338997123 545920386 /nfs/dbraw/zinc/92/03/86/545920386.db2.gz SVVAGGPSMPHKAL-KRWDZBQOSA-N 1 3 348.535 2.927 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339065896 545921913 /nfs/dbraw/zinc/92/19/13/545921913.db2.gz DBYYASBGRRNPOI-SQNIBIBYSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065896 545921919 /nfs/dbraw/zinc/92/19/19/545921919.db2.gz DBYYASBGRRNPOI-SQNIBIBYSA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339065896 545921923 /nfs/dbraw/zinc/92/19/23/545921923.db2.gz DBYYASBGRRNPOI-SQNIBIBYSA-N 1 3 329.488 2.738 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CCO1 ZINC000339073632 545922634 /nfs/dbraw/zinc/92/26/34/545922634.db2.gz CBSHWVMNVUPCEV-JRGCBEDISA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CCO1 ZINC000339073632 545922635 /nfs/dbraw/zinc/92/26/35/545922635.db2.gz CBSHWVMNVUPCEV-JRGCBEDISA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000339254217 545925363 /nfs/dbraw/zinc/92/53/63/545925363.db2.gz OCXVVMWQWNEABZ-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000339254217 545925368 /nfs/dbraw/zinc/92/53/68/545925368.db2.gz OCXVVMWQWNEABZ-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)CC[N@H+]2CCCC[C@H]2C)o1 ZINC000339255949 545925915 /nfs/dbraw/zinc/92/59/15/545925915.db2.gz JNOAULVLOPVZPT-MRXNPFEDSA-N 1 3 335.492 2.743 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)CC[N@@H+]2CCCC[C@H]2C)o1 ZINC000339255949 545925918 /nfs/dbraw/zinc/92/59/18/545925918.db2.gz JNOAULVLOPVZPT-MRXNPFEDSA-N 1 3 335.492 2.743 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000339263899 545927006 /nfs/dbraw/zinc/92/70/06/545927006.db2.gz IBVXQWTWRIKQMK-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000339263899 545927009 /nfs/dbraw/zinc/92/70/09/545927009.db2.gz IBVXQWTWRIKQMK-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000343974229 545961328 /nfs/dbraw/zinc/96/13/28/545961328.db2.gz FSUZDZZNEXDHFW-UHFFFAOYSA-N 1 3 327.419 2.936 20 0 EFADHO CCC1(CO)CCN([C@H](C)CC[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000344029323 545962041 /nfs/dbraw/zinc/96/20/41/545962041.db2.gz KVMWHQBIOVQFAN-GOSISDBHSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN(CC[C@@H](C)[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150963 545962919 /nfs/dbraw/zinc/96/29/19/545962919.db2.gz GMFIIFBHRWOXRK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN(CC[C@@H](C)[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150963 545962922 /nfs/dbraw/zinc/96/29/22/545962922.db2.gz GMFIIFBHRWOXRK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN([C@H](C)CC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150963 545962925 /nfs/dbraw/zinc/96/29/25/545962925.db2.gz GMFIIFBHRWOXRK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN([C@H](C)CC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150963 545962927 /nfs/dbraw/zinc/96/29/27/545962927.db2.gz GMFIIFBHRWOXRK-AABGKKOBSA-N 1 3 340.552 2.734 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc3ccccc3nc2C)C1 ZINC000350211694 546015749 /nfs/dbraw/zinc/01/57/49/546015749.db2.gz KUQGVTYTPNCTDS-QGZVFWFLSA-N 1 3 342.487 2.871 20 0 EFADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ncc[nH]1 ZINC000353400624 546059165 /nfs/dbraw/zinc/05/91/65/546059165.db2.gz GKPCTJNGTZWDBY-KRWDZBQOSA-N 1 3 327.476 2.663 20 0 EFADHO C[N@H+](CCCNC(=O)c1cccc2c1CCNC2)Cc1ccccc1 ZINC000384923438 546158282 /nfs/dbraw/zinc/15/82/82/546158282.db2.gz JNAONZKWWOGAQM-UHFFFAOYSA-N 1 3 337.467 2.584 20 0 EFADHO C[N@@H+](CCCNC(=O)c1cccc2c1CCNC2)Cc1ccccc1 ZINC000384923438 546158288 /nfs/dbraw/zinc/15/82/88/546158288.db2.gz JNAONZKWWOGAQM-UHFFFAOYSA-N 1 3 337.467 2.584 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390970613 546163730 /nfs/dbraw/zinc/16/37/30/546163730.db2.gz QZDUDOJEOPHSRI-PMACEKPBSA-N 1 3 347.547 2.578 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390915693 546164138 /nfs/dbraw/zinc/16/41/38/546164138.db2.gz FAHYNPDPDYSLTG-RTWAWAEBSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398127679 546170210 /nfs/dbraw/zinc/17/02/10/546170210.db2.gz ILSQKKWKXSTXLL-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)CN1Cc1ccccc1 ZINC000397979903 546170697 /nfs/dbraw/zinc/17/06/97/546170697.db2.gz LZQMUNOGUWQGJX-APWZRJJASA-N 1 3 349.478 2.725 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000414925076 546194640 /nfs/dbraw/zinc/19/46/40/546194640.db2.gz KZGVZMBIOIITKW-KBMXLJTQSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000414925076 546194644 /nfs/dbraw/zinc/19/46/44/546194644.db2.gz KZGVZMBIOIITKW-KBMXLJTQSA-N 1 3 337.895 2.937 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000417353934 546208121 /nfs/dbraw/zinc/20/81/21/546208121.db2.gz KOVVEMVWPACRRT-OTWHNJEPSA-N 1 3 344.503 2.701 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417282319 546208580 /nfs/dbraw/zinc/20/85/80/546208580.db2.gz AEKBXWLBNITLTB-HNAYVOBHSA-N 1 3 342.487 2.869 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418034800 546212558 /nfs/dbraw/zinc/21/25/58/546212558.db2.gz OTYHXZHLTHVBBE-FHWLQOOXSA-N 1 3 346.519 2.712 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000532450914 546314746 /nfs/dbraw/zinc/31/47/46/546314746.db2.gz MSMIANCKTKADIG-KRWDZBQOSA-N 1 3 337.508 2.980 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)N2CCCC2)cc1 ZINC000655446312 546449925 /nfs/dbraw/zinc/44/99/25/546449925.db2.gz NQSOUUCUJRGOLG-DYXWJJEUSA-N 1 3 341.499 2.638 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H]1c1cccs1 ZINC000655448944 546450764 /nfs/dbraw/zinc/45/07/64/546450764.db2.gz BCAICPKIKTWKNU-GFIVTLFCSA-N 1 3 347.528 2.637 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC000655447464 546450981 /nfs/dbraw/zinc/45/09/81/546450981.db2.gz XKBKRMVARZJBEX-XAUMDUMWSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447068 546451184 /nfs/dbraw/zinc/45/11/84/546451184.db2.gz OOPUINQYWXPFEM-PBEJRMEISA-N 1 3 341.499 2.718 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccs1 ZINC000655690245 546534586 /nfs/dbraw/zinc/53/45/86/546534586.db2.gz JUHIFZMSOCCDPS-IAGOWNOFSA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655690244 546534807 /nfs/dbraw/zinc/53/48/07/546534807.db2.gz JUHIFZMSOCCDPS-DLBZAZTESA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccsc1 ZINC000655693608 546537078 /nfs/dbraw/zinc/53/70/78/546537078.db2.gz FUEAVKJJMIERCD-ROUUACIJSA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccsc1 ZINC000655693606 546537730 /nfs/dbraw/zinc/53/77/30/546537730.db2.gz FUEAVKJJMIERCD-QZTJIDSGSA-N 1 3 337.533 2.584 20 0 EFADHO Cc1ccc([C@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)N2CCCC2)o1 ZINC000655704660 546541890 /nfs/dbraw/zinc/54/18/90/546541890.db2.gz HOMWXMWNHFQXGJ-OALUTQOASA-N 1 3 347.503 2.568 20 0 EFADHO CN(C)CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000655716345 546546659 /nfs/dbraw/zinc/54/66/59/546546659.db2.gz SJORSQYFHKPNJJ-MSOLQXFVSA-N 1 3 325.541 2.586 20 0 EFADHO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN1C1CCCCC1 ZINC000655762142 546570003 /nfs/dbraw/zinc/57/00/03/546570003.db2.gz AZIDHSVPFRJWGK-WOJBJXKFSA-N 1 3 335.536 2.626 20 0 EFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655908488 546632672 /nfs/dbraw/zinc/63/26/72/546632672.db2.gz WKRBGVALUMDQMA-QZTJIDSGSA-N 1 3 330.476 2.935 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CCc2noc3ccccc32)C1 ZINC000655942740 546650116 /nfs/dbraw/zinc/65/01/16/546650116.db2.gz YAXQEDSPXDWMIO-LSBZLQRGSA-N 1 3 329.444 2.731 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCc2noc3ccccc32)CC1 ZINC000655940459 546650247 /nfs/dbraw/zinc/65/02/47/546650247.db2.gz SOJRKJKKHXVQKK-LPHOPBHVSA-N 1 3 329.444 2.589 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000655968171 546655013 /nfs/dbraw/zinc/65/50/13/546655013.db2.gz OMCFLTRAOYRSCU-OTWHNJEPSA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)(C)[C@@H](N)c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656467875 546810411 /nfs/dbraw/zinc/81/04/11/546810411.db2.gz GKWXAWDTMYBCLK-WMZOPIPTSA-N 1 3 327.476 2.846 20 0 EFADHO CC(C)(C)[C@@H](N)c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656467875 546810416 /nfs/dbraw/zinc/81/04/16/546810416.db2.gz GKWXAWDTMYBCLK-WMZOPIPTSA-N 1 3 327.476 2.846 20 0 EFADHO COc1cccc2c1OC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000656496669 546819458 /nfs/dbraw/zinc/81/94/58/546819458.db2.gz VCTZRKRVZXKBSA-KRWDZBQOSA-N 1 3 339.439 2.652 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccnn1C ZINC000656567859 546844515 /nfs/dbraw/zinc/84/45/15/546844515.db2.gz VVAOQNCBUOYIHU-SFHVURJKSA-N 1 3 327.476 2.813 20 0 EFADHO CN(CCc1cccc(Cl)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000656617932 546865374 /nfs/dbraw/zinc/86/53/74/546865374.db2.gz NDJHAIJAQDUSRH-LJQANCHMSA-N 1 3 335.923 2.983 20 0 EFADHO CN(CCc1cccc(Cl)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000656617932 546865376 /nfs/dbraw/zinc/86/53/76/546865376.db2.gz NDJHAIJAQDUSRH-LJQANCHMSA-N 1 3 335.923 2.983 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784421 546922988 /nfs/dbraw/zinc/92/29/88/546922988.db2.gz AXZUSPRRWNCTKG-LJQANCHMSA-N 1 3 328.504 2.893 20 0 EFADHO Cn1c2ccc(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cc2sc1=O ZINC000656783649 546923394 /nfs/dbraw/zinc/92/33/94/546923394.db2.gz SGGGZODVQDIBMU-INIZCTEOSA-N 1 3 345.512 2.812 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc2c1OCO2 ZINC000656785590 546923581 /nfs/dbraw/zinc/92/35/81/546923581.db2.gz MKQAEYAKARLABQ-INIZCTEOSA-N 1 3 332.444 2.636 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786556 546924036 /nfs/dbraw/zinc/92/40/36/546924036.db2.gz NJDTYVFXVIFWNM-KRWDZBQOSA-N 1 3 347.551 2.821 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[NH2+]C2CC(C)(C)NC(C)(C)C2)cn1 ZINC000657291965 547089657 /nfs/dbraw/zinc/08/96/57/547089657.db2.gz BBLDOVAGMPTWNH-WMLDXEAASA-N 1 3 334.508 2.787 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CNC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000657291965 547089662 /nfs/dbraw/zinc/08/96/62/547089662.db2.gz BBLDOVAGMPTWNH-WMLDXEAASA-N 1 3 334.508 2.787 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000657292284 547089796 /nfs/dbraw/zinc/08/97/96/547089796.db2.gz HHSLPFPBVYQDTI-GOEBONIOSA-N 1 3 334.508 2.787 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657292284 547089800 /nfs/dbraw/zinc/08/98/00/547089800.db2.gz HHSLPFPBVYQDTI-GOEBONIOSA-N 1 3 334.508 2.787 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657346555 547123989 /nfs/dbraw/zinc/12/39/89/547123989.db2.gz GLLGACUTIRSJKW-MRXNPFEDSA-N 1 3 349.494 2.730 20 0 EFADHO CCOc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000657359267 547128806 /nfs/dbraw/zinc/12/88/06/547128806.db2.gz KUKJKKAGQUZCGU-SFHVURJKSA-N 1 3 331.504 2.652 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3cc4ccncc4s3)C2)CC1 ZINC000657359525 547129083 /nfs/dbraw/zinc/12/90/83/547129083.db2.gz MZSIOFRFGLDFGR-OAHLLOKOSA-N 1 3 330.501 2.554 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cncc(Br)c1C ZINC000657433228 547161013 /nfs/dbraw/zinc/16/10/13/547161013.db2.gz PHNQNDZADQSAJE-UHFFFAOYSA-N 1 3 344.297 2.601 20 0 EFADHO c1cc2c(c(C[NH2+]CC3CCN(Cc4ccncc4)CC3)c1)OCO2 ZINC000657612421 547228130 /nfs/dbraw/zinc/22/81/30/547228130.db2.gz NOVRJQOECZBJAZ-UHFFFAOYSA-N 1 3 339.439 2.812 20 0 EFADHO c1nc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc2[nH]1 ZINC000657613336 547229737 /nfs/dbraw/zinc/22/97/37/547229737.db2.gz YYMURTJHEQQOMD-UHFFFAOYSA-N 1 3 335.455 2.960 20 0 EFADHO c1nc2ccc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)cc2[nH]1 ZINC000657613336 547229741 /nfs/dbraw/zinc/22/97/41/547229741.db2.gz YYMURTJHEQQOMD-UHFFFAOYSA-N 1 3 335.455 2.960 20 0 EFADHO Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000657733034 547267721 /nfs/dbraw/zinc/26/77/21/547267721.db2.gz UEDWDYUHHNPGSL-QFBILLFUSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1ccnc1[C@@H]1OCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000657733034 547267724 /nfs/dbraw/zinc/26/77/24/547267724.db2.gz UEDWDYUHHNPGSL-QFBILLFUSA-N 1 3 346.519 2.884 20 0 EFADHO COc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)ccc1SC ZINC000657751719 547271725 /nfs/dbraw/zinc/27/17/25/547271725.db2.gz UOQBIEMOIRDXMU-INIZCTEOSA-N 1 3 336.501 2.760 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657802444 547288242 /nfs/dbraw/zinc/28/82/42/547288242.db2.gz YKZMVTMJKHHRHV-IYWMVGAKSA-N 1 3 341.499 2.944 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657802444 547288248 /nfs/dbraw/zinc/28/82/48/547288248.db2.gz YKZMVTMJKHHRHV-IYWMVGAKSA-N 1 3 341.499 2.944 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000657838130 547298487 /nfs/dbraw/zinc/29/84/87/547298487.db2.gz YZZRGPAXCIXEND-SJORKVTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657838130 547298490 /nfs/dbraw/zinc/29/84/90/547298490.db2.gz YZZRGPAXCIXEND-SJORKVTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000657838128 547298970 /nfs/dbraw/zinc/29/89/70/547298970.db2.gz YZZRGPAXCIXEND-IRXDYDNUSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000657838128 547298974 /nfs/dbraw/zinc/29/89/74/547298974.db2.gz YZZRGPAXCIXEND-IRXDYDNUSA-N 1 3 327.476 2.688 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCC1 ZINC000657872358 547307609 /nfs/dbraw/zinc/30/76/09/547307609.db2.gz GGGIWONKNZEOHW-INIZCTEOSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000657972182 547326014 /nfs/dbraw/zinc/32/60/14/547326014.db2.gz VOMCNFYMAPYSLG-VBSBHUPXSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657972182 547326017 /nfs/dbraw/zinc/32/60/17/547326017.db2.gz VOMCNFYMAPYSLG-VBSBHUPXSA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657972182 547326022 /nfs/dbraw/zinc/32/60/22/547326022.db2.gz VOMCNFYMAPYSLG-VBSBHUPXSA-N 1 3 339.487 2.557 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(COCc2ccccc2)OC)[C@H](C)C1 ZINC000658133348 547366619 /nfs/dbraw/zinc/36/66/19/547366619.db2.gz PXBCOFJHPGKDAM-HOJAQTOUSA-N 1 3 334.504 2.928 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@](C)(COCc2ccccc2)OC)[C@H](C)C1 ZINC000658133348 547366622 /nfs/dbraw/zinc/36/66/22/547366622.db2.gz PXBCOFJHPGKDAM-HOJAQTOUSA-N 1 3 334.504 2.928 20 0 EFADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]2CCO[C@@H]21 ZINC000658167501 547378438 /nfs/dbraw/zinc/37/84/38/547378438.db2.gz SIPLWHMOGOLTTH-QRVBRYPASA-N 1 3 329.488 2.697 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658320133 547418563 /nfs/dbraw/zinc/41/85/63/547418563.db2.gz NNSPLAYZACNOIC-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658320133 547418567 /nfs/dbraw/zinc/41/85/67/547418567.db2.gz NNSPLAYZACNOIC-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000671309769 547554061 /nfs/dbraw/zinc/55/40/61/547554061.db2.gz YWNLXPJVDRUEOJ-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000671309769 547554065 /nfs/dbraw/zinc/55/40/65/547554065.db2.gz YWNLXPJVDRUEOJ-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671684559 547647291 /nfs/dbraw/zinc/64/72/91/547647291.db2.gz PCOIHDLLCNKVAP-HXUWFJFHSA-N 1 3 344.547 2.661 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672884231 547820999 /nfs/dbraw/zinc/82/09/99/547820999.db2.gz QKCTYFZNMSPUPN-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000672884371 547821146 /nfs/dbraw/zinc/82/11/46/547821146.db2.gz FEHKEBZLMIBOLN-FRQCXROJSA-N 1 3 346.519 2.707 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000672942307 547832909 /nfs/dbraw/zinc/83/29/09/547832909.db2.gz CSDUPFNWUUDQGA-QRQLOZEOSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000673557105 547915759 /nfs/dbraw/zinc/91/57/59/547915759.db2.gz UPDOBDZHTXXVBJ-SJORKVTESA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673651075 547926850 /nfs/dbraw/zinc/92/68/50/547926850.db2.gz LDVAVOVLOFTMBQ-NSHGMRRFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673651075 547926852 /nfs/dbraw/zinc/92/68/52/547926852.db2.gz LDVAVOVLOFTMBQ-NSHGMRRFSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673779768 547957540 /nfs/dbraw/zinc/95/75/40/547957540.db2.gz NOAOKVGSHXZBBN-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000673779768 547957542 /nfs/dbraw/zinc/95/75/42/547957542.db2.gz NOAOKVGSHXZBBN-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000675184726 548222965 /nfs/dbraw/zinc/22/29/65/548222965.db2.gz ODHSQSRYYQGTOW-RTBURBONSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000675188798 548223927 /nfs/dbraw/zinc/22/39/27/548223927.db2.gz PMHRDDJWKQFEQF-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000675197608 548228303 /nfs/dbraw/zinc/22/83/03/548228303.db2.gz PVLQRHRKAGJLIY-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000675197608 548228305 /nfs/dbraw/zinc/22/83/05/548228305.db2.gz PVLQRHRKAGJLIY-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C)cs2)[C@H](C)C1 ZINC000675749693 548345669 /nfs/dbraw/zinc/34/56/69/548345669.db2.gz XGMRBICRZOHEPA-ZBFHGGJFSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C)cs2)[C@H](C)C1 ZINC000675749693 548345674 /nfs/dbraw/zinc/34/56/74/548345674.db2.gz XGMRBICRZOHEPA-ZBFHGGJFSA-N 1 3 325.522 2.721 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccco2)s1 ZINC000675782503 548351475 /nfs/dbraw/zinc/35/14/75/548351475.db2.gz HIPYGMVOIGGFBX-UHFFFAOYSA-N 1 3 335.473 2.574 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000676001843 548391050 /nfs/dbraw/zinc/39/10/50/548391050.db2.gz OANLNGBDHGPVMN-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000678037215 548824701 /nfs/dbraw/zinc/82/47/01/548824701.db2.gz OKYFOVVURPQZIW-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000678687454 548974642 /nfs/dbraw/zinc/97/46/42/548974642.db2.gz ZACAZSZQGXMIPW-CZUORRHYSA-N 1 3 344.459 2.563 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)NC ZINC000678747917 548981260 /nfs/dbraw/zinc/98/12/60/548981260.db2.gz SKMBVRLUQCWTOJ-WMZOPIPTSA-N 1 3 347.503 2.727 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4cc(F)ccc43)C2)CC1 ZINC000678772261 548984684 /nfs/dbraw/zinc/98/46/84/548984684.db2.gz WELCZNWFMQKRND-XLIONFOSSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@@H](CCc1ccccc1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678828142 548997544 /nfs/dbraw/zinc/99/75/44/548997544.db2.gz VUGFKMAWHPOFPR-PZJWPPBQSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@@H](CCc1ccccc1)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678828142 548997547 /nfs/dbraw/zinc/99/75/47/548997547.db2.gz VUGFKMAWHPOFPR-PZJWPPBQSA-N 1 3 329.532 2.967 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000679005531 549036825 /nfs/dbraw/zinc/03/68/25/549036825.db2.gz VTPCIRLUEFTKMK-SFHVURJKSA-N 1 3 344.547 2.966 20 0 EFADHO CCC[NH+]1CCC(Nc2cccc(CN3CCC(O)CC3)c2)CC1 ZINC000679053218 549046004 /nfs/dbraw/zinc/04/60/04/549046004.db2.gz ZLAIWIXHBUFYNU-UHFFFAOYSA-N 1 3 331.504 2.930 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000679734403 549192490 /nfs/dbraw/zinc/19/24/90/549192490.db2.gz CGOYWJJOQGJFNQ-UHFFFAOYSA-N 1 3 330.501 2.963 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267656 549284162 /nfs/dbraw/zinc/28/41/62/549284162.db2.gz ATMXUXSUXKDRHD-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267656 549284167 /nfs/dbraw/zinc/28/41/67/549284167.db2.gz ATMXUXSUXKDRHD-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000680353659 549303145 /nfs/dbraw/zinc/30/31/45/549303145.db2.gz JWZAURZVJYBPSG-JKSUJKDBSA-N 1 3 328.464 2.577 20 0 EFADHO COC1CCN(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000681393009 549526120 /nfs/dbraw/zinc/52/61/20/549526120.db2.gz YMFOHZGLGHGYAH-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000681393009 549526122 /nfs/dbraw/zinc/52/61/22/549526122.db2.gz YMFOHZGLGHGYAH-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000681393009 549526125 /nfs/dbraw/zinc/52/61/25/549526125.db2.gz YMFOHZGLGHGYAH-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000681790383 549615010 /nfs/dbraw/zinc/61/50/10/549615010.db2.gz HSGDXCCZEWDRFK-QXAKKESOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H](NC(=O)Nc1ccccc1CCN(C)C)C1CC[NH+](C)CC1 ZINC000682109223 549698916 /nfs/dbraw/zinc/69/89/16/549698916.db2.gz LNLJIWMCHNGUEA-OAHLLOKOSA-N 1 3 332.492 2.643 20 0 EFADHO CC1(C)CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000682169556 549709746 /nfs/dbraw/zinc/70/97/46/549709746.db2.gz YLGVSQQGXSOYGO-IBGZPJMESA-N 1 3 332.488 2.754 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)C1CCC(F)(F)CC1 ZINC000682733649 549798226 /nfs/dbraw/zinc/79/82/26/549798226.db2.gz ZJKGBVDFCIBCQY-HOCLYGCPSA-N 1 3 329.479 2.959 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCNc4ccccc43)C2)CC1 ZINC000683690345 549931704 /nfs/dbraw/zinc/93/17/04/549931704.db2.gz HVBCZAOHJLOLMH-OXQOHEQNSA-N 1 3 328.504 2.692 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000683733148 549937299 /nfs/dbraw/zinc/93/72/99/549937299.db2.gz HUXJNLLLTYOXOK-UHFFFAOYSA-N 1 3 331.460 2.570 20 0 EFADHO c1cc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2cn1 ZINC000683773053 549944012 /nfs/dbraw/zinc/94/40/12/549944012.db2.gz UVHCRNRTPQBXFY-KRWDZBQOSA-N 1 3 325.456 2.825 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000683815391 549949461 /nfs/dbraw/zinc/94/94/61/549949461.db2.gz DNOMGDPHUMYTDI-UTKZUKDTSA-N 1 3 345.531 2.911 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cc4ccccc4[nH]3)CC2)CC1 ZINC000683926528 549964947 /nfs/dbraw/zinc/96/49/47/549964947.db2.gz JQBPMVFFTQTJCJ-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO C[C@@H](N[C@H](CO)c1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000684561157 550058754 /nfs/dbraw/zinc/05/87/54/550058754.db2.gz XZAQTWMCTOQVJU-IUODEOHRSA-N 1 3 346.393 2.939 20 0 EFADHO CN(Cc1cccc2cc[nH]c21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457465 550154585 /nfs/dbraw/zinc/15/45/85/550154585.db2.gz COHNGKQVBIWFOE-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1cccc2cc[nH]c21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457465 550154587 /nfs/dbraw/zinc/15/45/87/550154587.db2.gz COHNGKQVBIWFOE-LJQANCHMSA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1cnc(C2CC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457250 550154692 /nfs/dbraw/zinc/15/46/92/550154692.db2.gz OUVGXUGJUMJVAB-INIZCTEOSA-N 1 3 334.533 2.621 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC2Cc3ccccc3C2)CC1 ZINC000685835046 550186533 /nfs/dbraw/zinc/18/65/33/550186533.db2.gz XPTRJOWBZPGDBZ-OALUTQOASA-N 1 3 341.543 2.892 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CN1C1CC1 ZINC000753940834 575363799 /nfs/dbraw/zinc/36/37/99/575363799.db2.gz OCFKJGPVPZHFHK-ZLZJIPBDSA-N 1 3 348.535 2.708 20 0 EFADHO CCC[NH+](CCC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000754244757 575409838 /nfs/dbraw/zinc/40/98/38/575409838.db2.gz ZKNVKJMBGNMADQ-UHFFFAOYSA-N 1 3 346.519 2.889 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(Cn3nccc3-c3ccncc3)C2)CC1 ZINC000755780145 575632949 /nfs/dbraw/zinc/63/29/49/575632949.db2.gz WGQUUVKKUNHKAF-SFHVURJKSA-N 1 3 325.460 2.566 20 0 EFADHO C/C(=C/c1cccc(Cl)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000759011833 575882725 /nfs/dbraw/zinc/88/27/25/575882725.db2.gz JREWFQLSHMNXFG-SQFISAMPSA-N 1 3 337.895 2.695 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CCC1 ZINC000763031570 576355324 /nfs/dbraw/zinc/35/53/24/576355324.db2.gz ULBOFIRQWJCYKI-UHFFFAOYSA-N 1 3 341.499 2.520 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCC1 ZINC000763031570 576355325 /nfs/dbraw/zinc/35/53/25/576355325.db2.gz ULBOFIRQWJCYKI-UHFFFAOYSA-N 1 3 341.499 2.520 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000764935392 576526208 /nfs/dbraw/zinc/52/62/08/576526208.db2.gz XBGCUFTYLBZANP-ZWKOTPCHSA-N 1 3 341.503 2.549 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@H](C)C1 ZINC000765372535 577036059 /nfs/dbraw/zinc/03/60/59/577036059.db2.gz QWSLWFWZVGXSIF-VQIMIIECSA-N 1 3 329.488 2.743 20 0 EFADHO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000765629012 577060787 /nfs/dbraw/zinc/06/07/87/577060787.db2.gz GBVIIORRMSPGLB-NVXWUHKLSA-N 1 3 349.475 2.508 20 0 EFADHO CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1(C)C ZINC000765813806 577079923 /nfs/dbraw/zinc/07/99/23/577079923.db2.gz VMDQLDQBLXORSW-OALUTQOASA-N 1 3 337.552 2.727 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000765816996 577080228 /nfs/dbraw/zinc/08/02/28/577080228.db2.gz ZRHPZJCLWGHOKK-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCCNc2ncccn2)CC1 ZINC000766517182 577160783 /nfs/dbraw/zinc/16/07/83/577160783.db2.gz LSLGJFNHJFZZEN-SJLPKXTDSA-N 1 3 331.508 2.911 20 0 EFADHO COC(=O)/C=C/c1ccc(OCCN2CCC(C[NH+](C)C)CC2)cc1 ZINC000767291176 577202881 /nfs/dbraw/zinc/20/28/81/577202881.db2.gz BZRVGTJHBFBSDS-RMKNXTFCSA-N 1 3 346.471 2.525 20 0 EFADHO COC(=O)/C=C\c1ccc(OCCN2CCC(C[NH+](C)C)CC2)cc1 ZINC000767291200 577202898 /nfs/dbraw/zinc/20/28/98/577202898.db2.gz BZRVGTJHBFBSDS-TWGQIWQCSA-N 1 3 346.471 2.525 20 0 EFADHO C[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000769684556 577378566 /nfs/dbraw/zinc/37/85/66/577378566.db2.gz NSKUKOADSNGHJZ-OAGGEKHMSA-N 1 3 327.513 3.000 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1ccccc1 ZINC000725718138 581505977 /nfs/dbraw/zinc/50/59/77/581505977.db2.gz VCLRJJQFMSJOOA-IETCZJMGSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(\C)c1ccccc1 ZINC000725718138 581505978 /nfs/dbraw/zinc/50/59/78/581505978.db2.gz VCLRJJQFMSJOOA-IETCZJMGSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCCC1 ZINC000738985337 581506062 /nfs/dbraw/zinc/50/60/62/581506062.db2.gz NEHBKUZTGYUMGT-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000736198064 599314560 /nfs/dbraw/zinc/31/45/60/599314560.db2.gz QEBSTUGFMBLPBJ-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000736198064 599314563 /nfs/dbraw/zinc/31/45/63/599314563.db2.gz QEBSTUGFMBLPBJ-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000820650825 606211618 /nfs/dbraw/zinc/21/16/18/606211618.db2.gz XIBBRXBMBZMPHF-OKILXGFUSA-N 1 3 348.520 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(-c3nnn[n-]3)cs2)C1 ZINC000820650825 606211619 /nfs/dbraw/zinc/21/16/19/606211619.db2.gz XIBBRXBMBZMPHF-OKILXGFUSA-N 1 3 348.520 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000820650825 606211620 /nfs/dbraw/zinc/21/16/20/606211620.db2.gz XIBBRXBMBZMPHF-OKILXGFUSA-N 1 3 348.520 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(-c3nn[n-]n3)cs2)C1 ZINC000820650825 606211621 /nfs/dbraw/zinc/21/16/21/606211621.db2.gz XIBBRXBMBZMPHF-OKILXGFUSA-N 1 3 348.520 2.776 20 0 EFADHO CN(C)C1(C(=O)NCCC[N@H+](C)Cc2ccc(Cl)cc2)CCC1 ZINC001751990198 1249110313 /nfs/dbraw/zinc/11/03/13/1249110313.db2.gz UUPOFVSSRRWTTI-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C)C1(C(=O)NCCC[N@@H+](C)Cc2ccc(Cl)cc2)CCC1 ZINC001751990198 1249110326 /nfs/dbraw/zinc/11/03/26/1249110326.db2.gz UUPOFVSSRRWTTI-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCC(C)CC1 ZINC001752211841 1249359739 /nfs/dbraw/zinc/35/97/39/1249359739.db2.gz HHIMVVHKUWQHMC-XBMUEBEBSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)CC1CCC(C)CC1 ZINC001752211841 1249359751 /nfs/dbraw/zinc/35/97/51/1249359751.db2.gz HHIMVVHKUWQHMC-XBMUEBEBSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001211713566 1249911199 /nfs/dbraw/zinc/91/11/99/1249911199.db2.gz QHVNCFVRWQJCJC-VQTJNVASSA-N 1 3 343.515 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001753900886 1247871280 /nfs/dbraw/zinc/87/12/80/1247871280.db2.gz CNKUNGPDJFKOIY-OLZOCXBDSA-N 1 3 336.307 2.520 20 0 EFADHO [NH3+]CCc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000327264875 1247963544 /nfs/dbraw/zinc/96/35/44/1247963544.db2.gz QVIGXELJNUFIDK-HXUWFJFHSA-N 1 3 337.467 2.755 20 0 EFADHO CC(C)(C)OC(=O)N(CCC[NH2+][C@H]1CCCC[C@@H]1CN)C1CC1 ZINC000227619937 1248389728 /nfs/dbraw/zinc/38/97/28/1248389728.db2.gz LXXQQCKNHLGMLC-ZBFHGGJFSA-N 1 3 325.497 2.883 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423335 1250479408 /nfs/dbraw/zinc/47/94/08/1250479408.db2.gz UOGLJSFGDUOXSW-QGZVFWFLSA-N 1 3 331.504 2.690 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]C[C@@H](C)CN2CCCCC2)CC1 ZINC000850423716 1250479900 /nfs/dbraw/zinc/47/99/00/1250479900.db2.gz AJSXYMRWHBLVJZ-KLAILNCOSA-N 1 3 325.497 2.755 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850577945 1250545852 /nfs/dbraw/zinc/54/58/52/1250545852.db2.gz ZESDGHURCSRCTJ-UHFFFAOYSA-N 1 3 330.476 2.570 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548971 1250603416 /nfs/dbraw/zinc/60/34/16/1250603416.db2.gz DSWRJEPAYTTZCV-JSGCOSHPSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548971 1250603431 /nfs/dbraw/zinc/60/34/31/1250603431.db2.gz DSWRJEPAYTTZCV-JSGCOSHPSA-N 1 3 347.286 2.665 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548971 1250603442 /nfs/dbraw/zinc/60/34/42/1250603442.db2.gz DSWRJEPAYTTZCV-JSGCOSHPSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548969 1250603659 /nfs/dbraw/zinc/60/36/59/1250603659.db2.gz DSWRJEPAYTTZCV-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548969 1250603673 /nfs/dbraw/zinc/60/36/73/1250603673.db2.gz DSWRJEPAYTTZCV-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314548969 1250603684 /nfs/dbraw/zinc/60/36/84/1250603684.db2.gz DSWRJEPAYTTZCV-GXTWGEPZSA-N 1 3 347.286 2.665 20 0 EFADHO C[C@@H](CCCNCC=C(Cl)Cl)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001755519850 1251120731 /nfs/dbraw/zinc/12/07/31/1251120731.db2.gz DVHQGLYPJYKJLK-STQMWFEESA-N 1 3 336.307 2.522 20 0 EFADHO C[C@@H](CCCNCC=C(Cl)Cl)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001755519850 1251120741 /nfs/dbraw/zinc/12/07/41/1251120741.db2.gz DVHQGLYPJYKJLK-STQMWFEESA-N 1 3 336.307 2.522 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851748752 1251246799 /nfs/dbraw/zinc/24/67/99/1251246799.db2.gz VUNNOXHGHACQQA-OAQYLSRUSA-N 1 3 339.483 2.959 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)c2ccccn2)CC1 ZINC000851748752 1251246809 /nfs/dbraw/zinc/24/68/09/1251246809.db2.gz VUNNOXHGHACQQA-OAQYLSRUSA-N 1 3 339.483 2.959 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003974798 1265626842 /nfs/dbraw/zinc/62/68/42/1265626842.db2.gz KJUSXYYIMXTDIM-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003974798 1265626846 /nfs/dbraw/zinc/62/68/46/1265626846.db2.gz KJUSXYYIMXTDIM-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001484069309 1252181381 /nfs/dbraw/zinc/18/13/81/1252181381.db2.gz ZBAVYUYYLSYIRP-FQEVSTJZSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(OC)cc2)C1 ZINC001484069309 1252181383 /nfs/dbraw/zinc/18/13/83/1252181383.db2.gz ZBAVYUYYLSYIRP-FQEVSTJZSA-N 1 3 347.503 2.508 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@](C)(C[NH2+]CC3CC3)C2)c1 ZINC001484126002 1252305661 /nfs/dbraw/zinc/30/56/61/1252305661.db2.gz RUPJGWYDTKNXNH-FQEVSTJZSA-N 1 3 329.488 2.600 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001493769657 1252379280 /nfs/dbraw/zinc/37/92/80/1252379280.db2.gz PYIBPPIINYNSEM-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106910830 1252439997 /nfs/dbraw/zinc/43/99/97/1252439997.db2.gz QPOMYGQGYBHWEM-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccccc2CC)C1 ZINC001484352821 1252442164 /nfs/dbraw/zinc/44/21/64/1252442164.db2.gz MULKGPWOICADOG-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484358369 1252452304 /nfs/dbraw/zinc/45/23/04/1252452304.db2.gz MPWUESPATMIXSS-FBTCGPDXSA-N 1 3 349.906 2.941 20 0 EFADHO CCN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)[C@H]1CCCN1C ZINC001273298733 1265847625 /nfs/dbraw/zinc/84/76/25/1265847625.db2.gz VYVYHIACHYUTDE-QGZVFWFLSA-N 1 3 345.512 2.934 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995801937 1254712437 /nfs/dbraw/zinc/71/24/37/1254712437.db2.gz LSTFCWKYODXQQH-OALUTQOASA-N 1 3 343.515 2.886 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)cs1 ZINC000995892714 1254814587 /nfs/dbraw/zinc/81/45/87/1254814587.db2.gz FZUFGHUFUYZDBH-SJORKVTESA-N 1 3 349.544 2.723 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)cc1 ZINC000995897551 1254820515 /nfs/dbraw/zinc/82/05/15/1254820515.db2.gz RTYRXWZXNXUXOH-OALUTQOASA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)CCC1 ZINC000995889558 1254837737 /nfs/dbraw/zinc/83/77/37/1254837737.db2.gz WLSSSFZZUXSDIF-KRWDZBQOSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CC1 ZINC000995891192 1254839409 /nfs/dbraw/zinc/83/94/09/1254839409.db2.gz CPYKHZYNWVTWTM-MSOLQXFVSA-N 1 3 333.520 2.654 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CC1 ZINC000995891194 1254839715 /nfs/dbraw/zinc/83/97/15/1254839715.db2.gz CPYKHZYNWVTWTM-ROUUACIJSA-N 1 3 333.520 2.654 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CCC1 ZINC000995919472 1254840646 /nfs/dbraw/zinc/84/06/46/1254840646.db2.gz RIGYLQQUWFWODK-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CCC1 ZINC000995919437 1254840913 /nfs/dbraw/zinc/84/09/13/1254840913.db2.gz QVHIJBNVIYUDIK-GOSISDBHSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)N(C)C)CC2(C)C)cc1 ZINC000995922440 1254843893 /nfs/dbraw/zinc/84/38/93/1254843893.db2.gz CYGZLVZVPCZMHZ-OALUTQOASA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000995928025 1254847361 /nfs/dbraw/zinc/84/73/61/1254847361.db2.gz RYFIEZMICOJYBF-MSOLQXFVSA-N 1 3 349.563 2.980 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)CC2(C)C)cc1 ZINC000996243822 1255122998 /nfs/dbraw/zinc/12/29/98/1255122998.db2.gz CYGZLVZVPCZMHZ-RTBURBONSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)CC2(C)C)cc1 ZINC000996243811 1255123716 /nfs/dbraw/zinc/12/37/16/1255123716.db2.gz CYGZLVZVPCZMHZ-RBUKOAKNSA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)N(C)C ZINC000996250353 1255128228 /nfs/dbraw/zinc/12/82/28/1255128228.db2.gz VRSHUUOKULQZAZ-ZWKOTPCHSA-N 1 3 349.494 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000996299883 1255184606 /nfs/dbraw/zinc/18/46/06/1255184606.db2.gz GGMVEEDCHJADJU-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)C1 ZINC000996299986 1255185008 /nfs/dbraw/zinc/18/50/08/1255185008.db2.gz HXMSHQYDNKUQNO-NVXWUHKLSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000996300487 1255185375 /nfs/dbraw/zinc/18/53/75/1255185375.db2.gz MXUNBJYQHHZCHJ-SJLPKXTDSA-N 1 3 347.547 2.735 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996314969 1255196757 /nfs/dbraw/zinc/19/67/57/1255196757.db2.gz KUVLFLAPONFOFK-OALUTQOASA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000996316162 1255197811 /nfs/dbraw/zinc/19/78/11/1255197811.db2.gz XZBMOPCHZUXUKK-OALUTQOASA-N 1 3 345.531 2.704 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)cc1 ZINC000996353704 1255241001 /nfs/dbraw/zinc/24/10/01/1255241001.db2.gz CKCXOTUFZFGYPP-SFHVURJKSA-N 1 3 340.471 2.541 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996505877 1255369512 /nfs/dbraw/zinc/36/95/12/1255369512.db2.gz JWNQWFAUJBNYGL-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996667712 1255686526 /nfs/dbraw/zinc/68/65/26/1255686526.db2.gz WORFULNELLUZRN-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)c1 ZINC000996664522 1255698437 /nfs/dbraw/zinc/69/84/37/1255698437.db2.gz PUCLLEHHKQNZJU-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996666060 1255703445 /nfs/dbraw/zinc/70/34/45/1255703445.db2.gz OQHBKHUVBCUMDK-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996669446 1255713251 /nfs/dbraw/zinc/71/32/51/1255713251.db2.gz FUCQCMXFAKAGNP-RBUKOAKNSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccc(F)cc1 ZINC000996674971 1255717861 /nfs/dbraw/zinc/71/78/61/1255717861.db2.gz DQLNEMVMPIYXBJ-LIRRHRJNSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996672108 1255719071 /nfs/dbraw/zinc/71/90/71/1255719071.db2.gz KHYDMRUBWOBUGP-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c(C)s1 ZINC000996679101 1255731490 /nfs/dbraw/zinc/73/14/90/1255731490.db2.gz PXCBHNJPGHUVCQ-SFHVURJKSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996679178 1255731662 /nfs/dbraw/zinc/73/16/62/1255731662.db2.gz QFTXFRZDYYMWAS-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCCCC2)CC1)C1CC1 ZINC000996679977 1255732947 /nfs/dbraw/zinc/73/29/47/1255732947.db2.gz RWPWIDCGIVMEJP-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107435970 1255811960 /nfs/dbraw/zinc/81/19/60/1255811960.db2.gz HVVJLPRHNAXMQG-YQVWRLOYSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107435970 1255811972 /nfs/dbraw/zinc/81/19/72/1255811972.db2.gz HVVJLPRHNAXMQG-YQVWRLOYSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436629 1255815082 /nfs/dbraw/zinc/81/50/82/1255815082.db2.gz HKPSOBZMODNAJZ-JFIYKMOQSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436629 1255815091 /nfs/dbraw/zinc/81/50/91/1255815091.db2.gz HKPSOBZMODNAJZ-JFIYKMOQSA-N 1 3 339.499 2.580 20 0 EFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)C1CC1 ZINC001107438541 1255821432 /nfs/dbraw/zinc/82/14/32/1255821432.db2.gz DRNWIVOZYNLAGU-SVFBPWRDSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)C1CC1 ZINC001107438541 1255821448 /nfs/dbraw/zinc/82/14/48/1255821448.db2.gz DRNWIVOZYNLAGU-SVFBPWRDSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC000996715509 1255842366 /nfs/dbraw/zinc/84/23/66/1255842366.db2.gz GLUXTADFRYJOEW-KBXCAEBGSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2)N(C)C ZINC001107450068 1255848275 /nfs/dbraw/zinc/84/82/75/1255848275.db2.gz AXCWUZCLMQXQDL-SFHLNBCPSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2)N(C)C ZINC001107450068 1255848288 /nfs/dbraw/zinc/84/82/88/1255848288.db2.gz AXCWUZCLMQXQDL-SFHLNBCPSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC001107485194 1255951654 /nfs/dbraw/zinc/95/16/54/1255951654.db2.gz OFDFOPKDFCJXBO-SVFBPWRDSA-N 1 3 345.531 2.632 20 0 EFADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC001107485194 1255951661 /nfs/dbraw/zinc/95/16/61/1255951661.db2.gz OFDFOPKDFCJXBO-SVFBPWRDSA-N 1 3 345.531 2.632 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107617731 1256307786 /nfs/dbraw/zinc/30/77/86/1256307786.db2.gz QLILWYUSOKOQNC-SMRJSYMMSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107617731 1256307794 /nfs/dbraw/zinc/30/77/94/1256307794.db2.gz QLILWYUSOKOQNC-SMRJSYMMSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996993173 1256636726 /nfs/dbraw/zinc/63/67/26/1256636726.db2.gz BEYKINUJYAOKFL-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000996994401 1256641320 /nfs/dbraw/zinc/64/13/20/1256641320.db2.gz HVDWXQWXYXQMIE-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccccc1 ZINC000996999379 1256654481 /nfs/dbraw/zinc/65/44/81/1256654481.db2.gz NZOZCSPYJLJLLV-DLBZAZTESA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c(C)c1 ZINC000997000565 1256656730 /nfs/dbraw/zinc/65/67/30/1256656730.db2.gz RGNVTOSYBJRTEZ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000996996861 1256662998 /nfs/dbraw/zinc/66/29/98/1256662998.db2.gz AETVWGJAITVPEB-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997004602 1256665020 /nfs/dbraw/zinc/66/50/20/1256665020.db2.gz FMFIAOBTVUAGGF-OAHLLOKOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997005621 1256668250 /nfs/dbraw/zinc/66/82/50/1256668250.db2.gz IWVOINFVWLAOEC-SJLPKXTDSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC000997007146 1256670179 /nfs/dbraw/zinc/67/01/79/1256670179.db2.gz OXKXVUSHVYHCDV-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000997007301 1256671849 /nfs/dbraw/zinc/67/18/49/1256671849.db2.gz PVWLSQDBQICIIL-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000997008681 1256674970 /nfs/dbraw/zinc/67/49/70/1256674970.db2.gz DNWXBIZIQNBDSM-SFHVURJKSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1)N(C)C ZINC000997009826 1256680945 /nfs/dbraw/zinc/68/09/45/1256680945.db2.gz ODMWYTIZUQZLER-KRWDZBQOSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1)N(C)C ZINC000997011105 1256682160 /nfs/dbraw/zinc/68/21/60/1256682160.db2.gz VMYLETCFJVMIMF-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC000997014702 1256687947 /nfs/dbraw/zinc/68/79/47/1256687947.db2.gz JGRMSAVUJBBSFJ-BEFAXECRSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC000997014292 1256688297 /nfs/dbraw/zinc/68/82/97/1256688297.db2.gz HPUWYCJOPRRQOM-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC000997015297 1256689368 /nfs/dbraw/zinc/68/93/68/1256689368.db2.gz OJVAIOJQCVFUAC-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1)N(C)C ZINC000997016628 1256690879 /nfs/dbraw/zinc/69/08/79/1256690879.db2.gz VQLWBFTVUMQDHN-KSSFIOAISA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@@H+]1C ZINC001032411231 1257154222 /nfs/dbraw/zinc/15/42/22/1257154222.db2.gz JQQVDIFHHXOUFK-XGXHKWSGSA-N 1 3 331.504 2.502 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@H+]1C ZINC001032411231 1257154225 /nfs/dbraw/zinc/15/42/25/1257154225.db2.gz JQQVDIFHHXOUFK-XGXHKWSGSA-N 1 3 331.504 2.502 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@@H+]1C ZINC001032413633 1257223382 /nfs/dbraw/zinc/22/33/82/1257223382.db2.gz NRHVIGGMAMHIOW-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@H+]1C ZINC001032413633 1257223386 /nfs/dbraw/zinc/22/33/86/1257223386.db2.gz NRHVIGGMAMHIOW-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997279916 1257341796 /nfs/dbraw/zinc/34/17/96/1257341796.db2.gz QGYPTKGCYIOXGD-CIRFHOKZSA-N 1 3 341.515 2.682 20 0 EFADHO CC[C@@H](F)CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997279916 1257341802 /nfs/dbraw/zinc/34/18/02/1257341802.db2.gz QGYPTKGCYIOXGD-CIRFHOKZSA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306335 1257385432 /nfs/dbraw/zinc/38/54/32/1257385432.db2.gz DNFKEJFJWQEQLC-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000997365440 1257454728 /nfs/dbraw/zinc/45/47/28/1257454728.db2.gz VHUVOXSMJZJHOU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032433148 1257458922 /nfs/dbraw/zinc/45/89/22/1257458922.db2.gz KJUGDDUNAPQCKJ-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032433148 1257458923 /nfs/dbraw/zinc/45/89/23/1257458923.db2.gz KJUGDDUNAPQCKJ-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032487885 1257811001 /nfs/dbraw/zinc/81/10/01/1257811001.db2.gz JAWNGRZRJJDHSL-SZMVWBNQSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032487885 1257811015 /nfs/dbraw/zinc/81/10/15/1257811015.db2.gz JAWNGRZRJJDHSL-SZMVWBNQSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032492936 1257854380 /nfs/dbraw/zinc/85/43/80/1257854380.db2.gz DVZADSKFVGCDPF-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032492936 1257854385 /nfs/dbraw/zinc/85/43/85/1257854385.db2.gz DVZADSKFVGCDPF-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032492975 1257856572 /nfs/dbraw/zinc/85/65/72/1257856572.db2.gz GKBRCPWOQMGREZ-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032492975 1257856581 /nfs/dbraw/zinc/85/65/81/1257856581.db2.gz GKBRCPWOQMGREZ-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032493081 1257862166 /nfs/dbraw/zinc/86/21/66/1257862166.db2.gz LCXHDKAQQGTLTQ-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032493081 1257862172 /nfs/dbraw/zinc/86/21/72/1257862172.db2.gz LCXHDKAQQGTLTQ-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)N1CCCCC1 ZINC001649046047 1257974401 /nfs/dbraw/zinc/97/44/01/1257974401.db2.gz QWMYRKMLXFGSEP-QFBILLFUSA-N 1 3 329.488 2.976 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997588591 1258068329 /nfs/dbraw/zinc/06/83/29/1258068329.db2.gz YEFGROFQLWWRDC-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001649059081 1258069825 /nfs/dbraw/zinc/06/98/25/1258069825.db2.gz ZXIYTCUBUXDBIO-KRWDZBQOSA-N 1 3 336.439 2.536 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997606320 1258103752 /nfs/dbraw/zinc/10/37/52/1258103752.db2.gz JKWQFRHSDYCFAP-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997608784 1258108856 /nfs/dbraw/zinc/10/88/56/1258108856.db2.gz WTYSKZRWPOGANV-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997609104 1258109977 /nfs/dbraw/zinc/10/99/77/1258109977.db2.gz ZEPAJTWNCVYLKV-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000997612596 1258110603 /nfs/dbraw/zinc/11/06/03/1258110603.db2.gz JWAGTXXVMFGXIE-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC000997612609 1258111374 /nfs/dbraw/zinc/11/13/74/1258111374.db2.gz JXQAXWYFWPQJDG-HNAYVOBHSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000997611455 1258113544 /nfs/dbraw/zinc/11/35/44/1258113544.db2.gz FRZBJRDRTJZXCQ-KXBFYZLASA-N 1 3 347.478 2.809 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000997611369 1258113648 /nfs/dbraw/zinc/11/36/48/1258113648.db2.gz DLIKAIAEHNLNAH-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000997614315 1258116938 /nfs/dbraw/zinc/11/69/38/1258116938.db2.gz QIPKHDIKWCTTTP-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997614263 1258117145 /nfs/dbraw/zinc/11/71/45/1258117145.db2.gz QCOLDSQFJGXWDN-LJQANCHMSA-N 1 3 347.478 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001203459710 1258130292 /nfs/dbraw/zinc/13/02/92/1258130292.db2.gz IJMLUZIAGMFABI-HNNXBMFYSA-N 1 3 345.478 2.734 20 0 EFADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997659397 1258188384 /nfs/dbraw/zinc/18/83/84/1258188384.db2.gz HKPKXOCSQRZYCA-DOTOQJQBSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1)[NH+]1CCCC1 ZINC001032557535 1258486444 /nfs/dbraw/zinc/48/64/44/1258486444.db2.gz LHORRIZTPFBRJB-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)N1CCN(c2ccc(N[C@H]3CCCC[C@@H]3[NH+](C)C)cn2)CC1 ZINC001168601355 1258494440 /nfs/dbraw/zinc/49/44/40/1258494440.db2.gz MJQRMDUUHONNBT-OALUTQOASA-N 1 3 345.535 2.897 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3CCCCC3)CC2)CCC1 ZINC000997823365 1258496533 /nfs/dbraw/zinc/49/65/33/1258496533.db2.gz MMHSAQYKUYZMCS-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC000997857228 1258540804 /nfs/dbraw/zinc/54/08/04/1258540804.db2.gz YQNDVPPEJMXMPT-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004200935 1266205680 /nfs/dbraw/zinc/20/56/80/1266205680.db2.gz GSRSJMVLCDBSBD-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032581438 1258764894 /nfs/dbraw/zinc/76/48/94/1258764894.db2.gz SJUPSBRUSYOKGX-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032581438 1258764901 /nfs/dbraw/zinc/76/49/01/1258764901.db2.gz SJUPSBRUSYOKGX-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]Cc3ccsc3)CC2)C1 ZINC000998081179 1259078906 /nfs/dbraw/zinc/07/89/06/1259078906.db2.gz GOJSAXKVJUPNBT-UHFFFAOYSA-N 1 3 349.544 2.808 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC000998083092 1259084918 /nfs/dbraw/zinc/08/49/18/1259084918.db2.gz UQZIMNPLQVQNGG-HNNXBMFYSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC000998083694 1259087478 /nfs/dbraw/zinc/08/74/78/1259087478.db2.gz XMOOPQVUYSWOMC-QZTJIDSGSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000998083878 1259087730 /nfs/dbraw/zinc/08/77/30/1259087730.db2.gz YFMLDSMRGLJQLU-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC000998084542 1259088524 /nfs/dbraw/zinc/08/85/24/1259088524.db2.gz BAKVNZOSAWHDNJ-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000998086286 1259091398 /nfs/dbraw/zinc/09/13/98/1259091398.db2.gz POLYELGXXRZWGZ-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998113058 1259123925 /nfs/dbraw/zinc/12/39/25/1259123925.db2.gz XOQQVASWVHBENL-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998113056 1259124215 /nfs/dbraw/zinc/12/42/15/1259124215.db2.gz XOQQVASWVHBENL-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998115815 1259131598 /nfs/dbraw/zinc/13/15/98/1259131598.db2.gz QBOUCDVGVLJFDH-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1C ZINC000998116481 1259131679 /nfs/dbraw/zinc/13/16/79/1259131679.db2.gz UJLCKRJDQSRUBK-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177331 1259196951 /nfs/dbraw/zinc/19/69/51/1259196951.db2.gz STAUNGWWHZGHBM-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO COc1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)N2CCCC2)cc1 ZINC000929306392 1266242384 /nfs/dbraw/zinc/24/23/84/1266242384.db2.gz ZWYSZQZTKJZCBT-SFHVURJKSA-N 1 3 347.503 2.727 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188851 1259210801 /nfs/dbraw/zinc/21/08/01/1259210801.db2.gz KXFDRUOZUNMGPE-HUUCEWRRSA-N 1 3 349.441 2.594 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188851 1259210809 /nfs/dbraw/zinc/21/08/09/1259210809.db2.gz KXFDRUOZUNMGPE-HUUCEWRRSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630098 1259446150 /nfs/dbraw/zinc/44/61/50/1259446150.db2.gz XDZXZKSSMOGSOE-UXPWSPDFSA-N 1 3 343.515 2.736 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC000998535056 1259651044 /nfs/dbraw/zinc/65/10/44/1259651044.db2.gz JQPFLTZCZNYQRG-JCYILVPMSA-N 1 3 335.517 2.538 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]Cc1ccsc1 ZINC001036556992 1259676705 /nfs/dbraw/zinc/67/67/05/1259676705.db2.gz VOZWXVXAPYNKFX-MAUKXSAKSA-N 1 3 349.544 2.949 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCc2ccccc2Cl)C1 ZINC000998554645 1259677907 /nfs/dbraw/zinc/67/79/07/1259677907.db2.gz ZQPXVTLSSGLXLE-HTWSVDAQSA-N 1 3 349.906 2.556 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036580011 1259733824 /nfs/dbraw/zinc/73/38/24/1259733824.db2.gz WEKABABDLGCESQ-PBHICJAKSA-N 1 3 332.492 2.605 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001036580018 1259733860 /nfs/dbraw/zinc/73/38/60/1259733860.db2.gz WFDOVONFTLSLKN-VQIMIIECSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C[NH2+]CC1CC1 ZINC001036600372 1259748109 /nfs/dbraw/zinc/74/81/09/1259748109.db2.gz ZDRWCKVKKFIUJT-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C[NH2+]CC1CC1 ZINC001036600374 1259748160 /nfs/dbraw/zinc/74/81/60/1259748160.db2.gz ZDRWCKVKKFIUJT-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998725296 1259878916 /nfs/dbraw/zinc/87/89/16/1259878916.db2.gz WHZFBJYHQATDRF-OCCSQVGLSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCCN3C)C2)c1 ZINC000998995964 1260130554 /nfs/dbraw/zinc/13/05/54/1260130554.db2.gz WUMRQJQEHGAKMD-TVPLGVNVSA-N 1 3 347.478 2.697 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999147099 1260254078 /nfs/dbraw/zinc/25/40/78/1260254078.db2.gz ZYYKMVJGILRJOY-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999147099 1260254083 /nfs/dbraw/zinc/25/40/83/1260254083.db2.gz ZYYKMVJGILRJOY-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000999132540 1260260281 /nfs/dbraw/zinc/26/02/81/1260260281.db2.gz GLFFXBIWFFNSDD-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518133 1260263422 /nfs/dbraw/zinc/26/34/22/1260263422.db2.gz ONBILXMVSMKLJV-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946518133 1260263429 /nfs/dbraw/zinc/26/34/29/1260263429.db2.gz ONBILXMVSMKLJV-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCN1C(C)C ZINC001032664014 1260353386 /nfs/dbraw/zinc/35/33/86/1260353386.db2.gz NMBOIEGIPMCXAR-GBESFXJTSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCN1C(C)C ZINC001032664014 1260353397 /nfs/dbraw/zinc/35/33/97/1260353397.db2.gz NMBOIEGIPMCXAR-GBESFXJTSA-N 1 3 335.536 2.971 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC1 ZINC001032665884 1260379988 /nfs/dbraw/zinc/37/99/88/1260379988.db2.gz KIIPEVBWVDJMCP-PMACEKPBSA-N 1 3 345.531 2.894 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC1 ZINC001032665969 1260380878 /nfs/dbraw/zinc/38/08/78/1260380878.db2.gz OUGPCWYQCWNPNX-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999308813 1260510324 /nfs/dbraw/zinc/51/03/24/1260510324.db2.gz RSACRYOHOLDAHP-PKOBYXMFSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999308813 1260510328 /nfs/dbraw/zinc/51/03/28/1260510328.db2.gz RSACRYOHOLDAHP-PKOBYXMFSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999308802 1260511379 /nfs/dbraw/zinc/51/13/79/1260511379.db2.gz RSACRYOHOLDAHP-HKUYNNGSSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC000999308802 1260511386 /nfs/dbraw/zinc/51/13/86/1260511386.db2.gz RSACRYOHOLDAHP-HKUYNNGSSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)CCC1 ZINC000999346474 1260550443 /nfs/dbraw/zinc/55/04/43/1260550443.db2.gz FRIMOSNXYOCGRR-GOSISDBHSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348717 1260552660 /nfs/dbraw/zinc/55/26/60/1260552660.db2.gz PARJFYQMEJPLLT-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000999350762 1260553120 /nfs/dbraw/zinc/55/31/20/1260553120.db2.gz BECWNZHRKZDOFB-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999350660 1260553523 /nfs/dbraw/zinc/55/35/23/1260553523.db2.gz ZZMBKONXOPAOGZ-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000999352692 1260555910 /nfs/dbraw/zinc/55/59/10/1260555910.db2.gz KMZFGLNUJSWYET-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000999352700 1260556316 /nfs/dbraw/zinc/55/63/16/1260556316.db2.gz KMZFGLNUJSWYET-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000999376397 1260560362 /nfs/dbraw/zinc/56/03/62/1260560362.db2.gz WCAWAZJWOBDQNG-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000999378030 1260560918 /nfs/dbraw/zinc/56/09/18/1260560918.db2.gz XJYDZTYWQBJGHC-ROUUACIJSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999379392 1260563040 /nfs/dbraw/zinc/56/30/40/1260563040.db2.gz YIZAHBBPWZQKGS-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999362415 1260564606 /nfs/dbraw/zinc/56/46/06/1260564606.db2.gz AKKHZADEUAMMEL-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000999367167 1260569204 /nfs/dbraw/zinc/56/92/04/1260569204.db2.gz DURPTHYTMULFKO-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000999367013 1260569745 /nfs/dbraw/zinc/56/97/45/1260569745.db2.gz DHJFSBAJMYVMGY-ROUUACIJSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000999366671 1260570293 /nfs/dbraw/zinc/57/02/93/1260570293.db2.gz YWIAYCGPJDEOFI-WMZOPIPTSA-N 1 3 329.488 2.813 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000999398701 1260576626 /nfs/dbraw/zinc/57/66/26/1260576626.db2.gz AAXNKAOAFZYQGD-PBPGXSGUSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999405796 1260600145 /nfs/dbraw/zinc/60/01/45/1260600145.db2.gz IVQLROSSIOLTSN-VNCLNFNDSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000999407302 1260601001 /nfs/dbraw/zinc/60/10/01/1260601001.db2.gz UBLVSJAZXLNZQA-QHGAOEGBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC000999407389 1260602304 /nfs/dbraw/zinc/60/23/04/1260602304.db2.gz UOCBZMIYWKPYND-TZYSRNFLSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000999410324 1260604239 /nfs/dbraw/zinc/60/42/39/1260604239.db2.gz VCFYZEWVWQYLDN-UHFFFAOYSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999473419 1260665495 /nfs/dbraw/zinc/66/54/95/1260665495.db2.gz MYXJXLYPPAJEGV-NXVRBGIVSA-N 1 3 326.444 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC000999490025 1260713298 /nfs/dbraw/zinc/71/32/98/1260713298.db2.gz NMKIWIRWVXJUBN-FUHWJXTLSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC000999495082 1260716467 /nfs/dbraw/zinc/71/64/67/1260716467.db2.gz KTYROZLYAYMNKU-SJLPKXTDSA-N 1 3 343.471 2.854 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccsc3)C2)CC1 ZINC000999601637 1260763561 /nfs/dbraw/zinc/76/35/61/1260763561.db2.gz LDUACLKORCAZCT-UHFFFAOYSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c1 ZINC000999832702 1260945246 /nfs/dbraw/zinc/94/52/46/1260945246.db2.gz GYKLOPQVRPBIIW-IPJUCJBFSA-N 1 3 329.488 2.731 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC000999875785 1260963673 /nfs/dbraw/zinc/96/36/73/1260963673.db2.gz ATJAHCUQAHINEQ-MHJFOBGBSA-N 1 3 343.515 2.683 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC000999876587 1260964721 /nfs/dbraw/zinc/96/47/21/1260964721.db2.gz OQAATNQIRNQZGN-LEOMRAHMSA-N 1 3 349.544 2.744 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000999877037 1260966500 /nfs/dbraw/zinc/96/65/00/1260966500.db2.gz XRQOWCYXAXGRHT-CTWPCTMYSA-N 1 3 329.488 2.640 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999877087 1260966685 /nfs/dbraw/zinc/96/66/85/1260966685.db2.gz YUXQNSAVHHLVOS-DAWZGUTISA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033071050 1266378352 /nfs/dbraw/zinc/37/83/52/1266378352.db2.gz WGTWKLLHLCLBBL-AEFFLSMTSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033071050 1266378364 /nfs/dbraw/zinc/37/83/64/1266378364.db2.gz WGTWKLLHLCLBBL-AEFFLSMTSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033071259 1266379872 /nfs/dbraw/zinc/37/98/72/1266379872.db2.gz YJMAWPHITMTUMN-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033071259 1266379882 /nfs/dbraw/zinc/37/98/82/1266379882.db2.gz YJMAWPHITMTUMN-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO O=C(N1C[C@@H]2C[C@H]1CN2CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001032733697 1261097484 /nfs/dbraw/zinc/09/74/84/1261097484.db2.gz HEIZDVIAQRPOEQ-OALUTQOASA-N 1 3 345.531 2.728 20 0 EFADHO COc1ccc([C@H]2C[C@@H]([N@@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644348 1261180467 /nfs/dbraw/zinc/18/04/67/1261180467.db2.gz QUOKAQBUDXHCOZ-DOADOZAASA-N 1 3 330.472 2.799 20 0 EFADHO COc1ccc([C@H]2C[C@@H]([N@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644348 1261180471 /nfs/dbraw/zinc/18/04/71/1261180471.db2.gz QUOKAQBUDXHCOZ-DOADOZAASA-N 1 3 330.472 2.799 20 0 EFADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862177 1261185945 /nfs/dbraw/zinc/18/59/45/1261185945.db2.gz LTDLQGFMXDVAJL-RXVVDRJESA-N 1 3 347.547 2.997 20 0 EFADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862177 1261185946 /nfs/dbraw/zinc/18/59/46/1261185946.db2.gz LTDLQGFMXDVAJL-RXVVDRJESA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC1CCCCC1 ZINC001272862730 1261187730 /nfs/dbraw/zinc/18/77/30/1261187730.db2.gz NHAWKMYHEKPAGN-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001272862730 1261187739 /nfs/dbraw/zinc/18/77/39/1261187739.db2.gz NHAWKMYHEKPAGN-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[C@@H]([NH2+]CCC3CC3)C2)C1 ZINC001000210930 1261232021 /nfs/dbraw/zinc/23/20/21/1261232021.db2.gz SYOFZQXAVBQBSW-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001000225591 1261255971 /nfs/dbraw/zinc/25/59/71/1261255971.db2.gz KZSRFHOARCBHAF-WMZOPIPTSA-N 1 3 335.467 2.555 20 0 EFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1=O ZINC001272915246 1261324143 /nfs/dbraw/zinc/32/41/43/1261324143.db2.gz MMCOHPQQVYCWBH-UHFFFAOYSA-N 1 3 349.906 2.716 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)[C@@H](C)C1 ZINC000921747465 1261354844 /nfs/dbraw/zinc/35/48/44/1261354844.db2.gz OWEJXYBLUHBGES-QFBILLFUSA-N 1 3 332.488 2.848 20 0 EFADHO Cc1ccc(C(=O)C2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c(C)c1 ZINC000923306322 1261443075 /nfs/dbraw/zinc/44/30/75/1261443075.db2.gz PMCPJETZNAGMCN-SFHVURJKSA-N 1 3 342.483 2.577 20 0 EFADHO NC1(C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCC1 ZINC000923330921 1261468527 /nfs/dbraw/zinc/46/85/27/1261468527.db2.gz DFAIKQDACVNKAV-SFHVURJKSA-N 1 3 326.440 2.564 20 0 EFADHO COc1cc(F)ccc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324630 1261476901 /nfs/dbraw/zinc/47/69/01/1261476901.db2.gz JCCMQUHZDLHGGW-ZNXRZULTSA-N 1 3 347.478 2.877 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccc(Cl)cc1 ZINC001168762621 1261503448 /nfs/dbraw/zinc/50/34/48/1261503448.db2.gz DTDFJJDAPBGCSD-UHFFFAOYSA-N 1 3 339.911 2.710 20 0 EFADHO O[C@@H](CN1CC[C@]2(CC[NH2+]C2)C1)Cn1c2ccccc2c2ccccc21 ZINC000923331699 1261507840 /nfs/dbraw/zinc/50/78/40/1261507840.db2.gz HVABUAFMTJQAQF-JTSKRJEESA-N 1 3 349.478 2.841 20 0 EFADHO CC1CCC(C[NH+]2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001006060324 1261536416 /nfs/dbraw/zinc/53/64/16/1261536416.db2.gz NMHFSQRKVKGWTD-UHFFFAOYSA-N 1 3 332.492 2.701 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001006058595 1261546162 /nfs/dbraw/zinc/54/61/62/1261546162.db2.gz DLGPCJFTAHYREL-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000923372257 1261567353 /nfs/dbraw/zinc/56/73/53/1261567353.db2.gz FZFDQBSXQYLGPV-DOTOQJQBSA-N 1 3 340.895 2.885 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001006067389 1261585424 /nfs/dbraw/zinc/58/54/24/1261585424.db2.gz VLQNMYHCQKHRLC-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000923385794 1261594033 /nfs/dbraw/zinc/59/40/33/1261594033.db2.gz CXZIQDDSASKSNE-FMKPAKJESA-N 1 3 326.868 2.529 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946902410 1261662959 /nfs/dbraw/zinc/66/29/59/1261662959.db2.gz OIFMNUZMWRHYSE-ZCNNSNEGSA-N 1 3 347.547 2.997 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]2CC1 ZINC000946902410 1261662968 /nfs/dbraw/zinc/66/29/68/1261662968.db2.gz OIFMNUZMWRHYSE-ZCNNSNEGSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001000930424 1261742175 /nfs/dbraw/zinc/74/21/75/1261742175.db2.gz WSTXYHFQTAGTHI-DLBZAZTESA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001000930424 1261742180 /nfs/dbraw/zinc/74/21/80/1261742180.db2.gz WSTXYHFQTAGTHI-DLBZAZTESA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923487780 1261745735 /nfs/dbraw/zinc/74/57/35/1261745735.db2.gz HLQMNBOPWGDJQD-CVEARBPZSA-N 1 3 325.456 2.688 20 0 EFADHO CCN(c1ccc(NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1)C(C)C ZINC000923482276 1261752931 /nfs/dbraw/zinc/75/29/31/1261752931.db2.gz CWMTVPMAAFZVPU-INIZCTEOSA-N 1 3 332.492 2.531 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2CN(C)C)C1 ZINC001032800477 1261768549 /nfs/dbraw/zinc/76/85/49/1261768549.db2.gz KPMTUZKVJRXNDN-VHZYLWGESA-N 1 3 341.499 2.693 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2CN(C)C)C1 ZINC001032800477 1261768553 /nfs/dbraw/zinc/76/85/53/1261768553.db2.gz KPMTUZKVJRXNDN-VHZYLWGESA-N 1 3 341.499 2.693 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000923490559 1261771345 /nfs/dbraw/zinc/77/13/45/1261771345.db2.gz HDWJNMFAKZSEPL-OXJNMPFZSA-N 1 3 329.488 2.705 20 0 EFADHO CC[C@H](NC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000923496757 1261785433 /nfs/dbraw/zinc/78/54/33/1261785433.db2.gz CWWQPDZUQYPCKI-LXZKKBNFSA-N 1 3 337.895 2.824 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2=CC[N@H+](CC3CCC3)CC2)c1 ZINC001001468819 1262242564 /nfs/dbraw/zinc/24/25/64/1262242564.db2.gz XVQJQOOACMZKHU-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2=CC[N@@H+](CC3CCC3)CC2)c1 ZINC001001468819 1262242567 /nfs/dbraw/zinc/24/25/67/1262242567.db2.gz XVQJQOOACMZKHU-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO Cc1ccsc1C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272933702 1262307850 /nfs/dbraw/zinc/30/78/50/1262307850.db2.gz GTQZXDGUNPGXHQ-SFHVURJKSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272933702 1262307853 /nfs/dbraw/zinc/30/78/53/1262307853.db2.gz GTQZXDGUNPGXHQ-SFHVURJKSA-N 1 3 335.517 2.575 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]([NH2+]CC3CC3)C23CCC3)c1 ZINC001078819215 1262362115 /nfs/dbraw/zinc/36/21/15/1262362115.db2.gz KCEPPJNSHWRCPG-RBUKOAKNSA-N 1 3 341.499 2.789 20 0 EFADHO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819048 1262362606 /nfs/dbraw/zinc/36/26/06/1262362606.db2.gz IADAVQADNOQIRW-ZWKOTPCHSA-N 1 3 329.488 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001078819478 1262363260 /nfs/dbraw/zinc/36/32/60/1262363260.db2.gz OEMSEEQQHQEDSU-OALUTQOASA-N 1 3 341.499 2.789 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001486128734 1262661846 /nfs/dbraw/zinc/66/18/46/1262661846.db2.gz LLNYUNMEGVWGBH-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[C@H]1C ZINC001486129426 1262662382 /nfs/dbraw/zinc/66/23/82/1262662382.db2.gz NMXAJXHBKXQUBE-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@H]1C ZINC001486131617 1262664713 /nfs/dbraw/zinc/66/47/13/1262664713.db2.gz WMEWKNJPRRYQTI-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[C@H]1C ZINC001486127556 1262704604 /nfs/dbraw/zinc/70/46/04/1262704604.db2.gz FVEZUKKGJZRXFI-RHSMWYFYSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C[C@@H]1C ZINC001486128260 1262705151 /nfs/dbraw/zinc/70/51/51/1262705151.db2.gz JEBXSADUBUHGNK-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1C)C(C)(C)C ZINC001486420176 1263065246 /nfs/dbraw/zinc/06/52/46/1263065246.db2.gz RIFLJLKLLLQTPB-SFHVURJKSA-N 1 3 333.520 2.957 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC001486481432 1263217653 /nfs/dbraw/zinc/21/76/53/1263217653.db2.gz NXJUIWPMFWTJSV-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001082559857 1263221192 /nfs/dbraw/zinc/22/11/92/1263221192.db2.gz QZXRQSUSWJVSAU-LZQZEXGQSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001082557662 1263221759 /nfs/dbraw/zinc/22/17/59/1263221759.db2.gz XLWFVBVFCQDMSF-JFIYKMOQSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001082559699 1263222465 /nfs/dbraw/zinc/22/24/65/1263222465.db2.gz MPMDYTUPQMVQOR-LZQZEXGQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC001082561629 1263223298 /nfs/dbraw/zinc/22/32/98/1263223298.db2.gz GGCYQOOYIOFDQV-UIAACRFSSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001082589022 1263231123 /nfs/dbraw/zinc/23/11/23/1263231123.db2.gz DDPSYXUVWIDNAK-BHIYHBOVSA-N 1 3 331.504 2.580 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082575563 1263231270 /nfs/dbraw/zinc/23/12/70/1263231270.db2.gz MYMCJONUTYWALI-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001082747251 1263292100 /nfs/dbraw/zinc/29/21/00/1263292100.db2.gz HDQQBJUELGQOHK-QRQLOZEOSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c(C)s1 ZINC001082741302 1263312635 /nfs/dbraw/zinc/31/26/35/1263312635.db2.gz WQQGZVNSVBIFIT-HBUWYVDXSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)cc1C ZINC001082741398 1263312669 /nfs/dbraw/zinc/31/26/69/1263312669.db2.gz ZYQVOZFRTDCHNT-WSTZPKSXSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001082741206 1263313427 /nfs/dbraw/zinc/31/34/27/1263313427.db2.gz SOPRZZCIHPTVJP-ZIFCJYIRSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082741068 1263313601 /nfs/dbraw/zinc/31/36/01/1263313601.db2.gz OLXKTUMVFYKPTR-GPMSIDNRSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001082741205 1263314167 /nfs/dbraw/zinc/31/41/67/1263314167.db2.gz SOPRZZCIHPTVJP-ZHALLVOQSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001082742516 1263314496 /nfs/dbraw/zinc/31/44/96/1263314496.db2.gz IKRMFMOTVNHBAI-ZHALLVOQSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001082783335 1263340121 /nfs/dbraw/zinc/34/01/21/1263340121.db2.gz RPURBYFWXCBJRN-NXHRZFHOSA-N 1 3 349.544 2.948 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082921102 1263412549 /nfs/dbraw/zinc/41/25/49/1263412549.db2.gz WICRCUXCGFYKOF-IIDMSEBBSA-N 1 3 349.906 2.537 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082921102 1263412554 /nfs/dbraw/zinc/41/25/54/1263412554.db2.gz WICRCUXCGFYKOF-IIDMSEBBSA-N 1 3 349.906 2.537 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082943473 1263424656 /nfs/dbraw/zinc/42/46/56/1263424656.db2.gz KDXNXVDTPQZJNN-KBAYOESNSA-N 1 3 349.544 2.602 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cccs2)C1 ZINC001082943474 1263424672 /nfs/dbraw/zinc/42/46/72/1263424672.db2.gz KDXNXVDTPQZJNN-NXHRZFHOSA-N 1 3 349.544 2.602 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001082943536 1263425168 /nfs/dbraw/zinc/42/51/68/1263425168.db2.gz NDCAIUXMWNGKEX-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084338283 1263829816 /nfs/dbraw/zinc/82/98/16/1263829816.db2.gz MDZQJJPYZDWQPE-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084338283 1263829830 /nfs/dbraw/zinc/82/98/30/1263829830.db2.gz MDZQJJPYZDWQPE-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084388068 1263900503 /nfs/dbraw/zinc/90/05/03/1263900503.db2.gz DMXMKJPHAVYWOH-CEXWTWQISA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084388068 1263900507 /nfs/dbraw/zinc/90/05/07/1263900507.db2.gz DMXMKJPHAVYWOH-CEXWTWQISA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084389013 1263903477 /nfs/dbraw/zinc/90/34/77/1263903477.db2.gz OKEOQWSFHGHMLW-VAMGGRTRSA-N 1 3 345.531 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084389013 1263903484 /nfs/dbraw/zinc/90/34/84/1263903484.db2.gz OKEOQWSFHGHMLW-VAMGGRTRSA-N 1 3 345.531 2.894 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084389052 1263903535 /nfs/dbraw/zinc/90/35/35/1263903535.db2.gz PYJLSTJWZMYFGH-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084389052 1263903542 /nfs/dbraw/zinc/90/35/42/1263903542.db2.gz PYJLSTJWZMYFGH-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469788 1263941534 /nfs/dbraw/zinc/94/15/34/1263941534.db2.gz OITBYAKBVXLICJ-SJLPKXTDSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCN1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084469788 1263941543 /nfs/dbraw/zinc/94/15/43/1263941543.db2.gz OITBYAKBVXLICJ-SJLPKXTDSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545517 1264013581 /nfs/dbraw/zinc/01/35/81/1264013581.db2.gz NHRLQTUMJRMZRR-QRVBRYPASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001084545517 1264013589 /nfs/dbraw/zinc/01/35/89/1264013589.db2.gz NHRLQTUMJRMZRR-QRVBRYPASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001002791409 1264079912 /nfs/dbraw/zinc/07/99/12/1264079912.db2.gz IAPBMZUUTAFBTK-IBGZPJMESA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001084639433 1264101860 /nfs/dbraw/zinc/10/18/60/1264101860.db2.gz SCZLPMUANLHEBD-GUDVDZBRSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001084639433 1264101862 /nfs/dbraw/zinc/10/18/62/1264101862.db2.gz SCZLPMUANLHEBD-GUDVDZBRSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002861083 1264186058 /nfs/dbraw/zinc/18/60/58/1264186058.db2.gz RQZYWLJJEVIKDM-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002861083 1264186060 /nfs/dbraw/zinc/18/60/60/1264186060.db2.gz RQZYWLJJEVIKDM-QMTMVMCOSA-N 1 3 347.478 2.808 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3csc(C)c3)CC2)CC[N@@H+]1C ZINC001002858281 1264191786 /nfs/dbraw/zinc/19/17/86/1264191786.db2.gz AVYFULMDKMUKNI-ZWKOTPCHSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001002858281 1264191794 /nfs/dbraw/zinc/19/17/94/1264191794.db2.gz AVYFULMDKMUKNI-ZWKOTPCHSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001032830284 1264193381 /nfs/dbraw/zinc/19/33/81/1264193381.db2.gz LMIHRIPUADMHFI-ZULIPRJHSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001032830284 1264193385 /nfs/dbraw/zinc/19/33/85/1264193385.db2.gz LMIHRIPUADMHFI-ZULIPRJHSA-N 1 3 343.515 2.977 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701345 1264244976 /nfs/dbraw/zinc/24/49/76/1264244976.db2.gz ZBGISLDXJBIWLE-IPMKNSEASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001084701345 1264244984 /nfs/dbraw/zinc/24/49/84/1264244984.db2.gz ZBGISLDXJBIWLE-IPMKNSEASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21 ZINC001084701409 1264245158 /nfs/dbraw/zinc/24/51/58/1264245158.db2.gz BYJRKVDGJFRAOK-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001084701409 1264245166 /nfs/dbraw/zinc/24/51/66/1264245166.db2.gz BYJRKVDGJFRAOK-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084768119 1264348321 /nfs/dbraw/zinc/34/83/21/1264348321.db2.gz WDZWEUKBJGIHOY-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084768119 1264348330 /nfs/dbraw/zinc/34/83/30/1264348330.db2.gz WDZWEUKBJGIHOY-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001084767615 1264348755 /nfs/dbraw/zinc/34/87/55/1264348755.db2.gz CULAMFPHFKBGKY-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC)C[C@H]21 ZINC001084767615 1264348765 /nfs/dbraw/zinc/34/87/65/1264348765.db2.gz CULAMFPHFKBGKY-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO COC(=O)c1ccc(CNCC2(SC)CC[NH+](C)CC2)c(F)c1 ZINC000922138035 1264489988 /nfs/dbraw/zinc/48/99/88/1264489988.db2.gz GWMXYQYSSDICIH-UHFFFAOYSA-N 1 3 340.464 2.529 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084852265 1264532466 /nfs/dbraw/zinc/53/24/66/1264532466.db2.gz PVQMYQUMILESJK-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084852265 1264532472 /nfs/dbraw/zinc/53/24/72/1264532472.db2.gz PVQMYQUMILESJK-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849504 1264534925 /nfs/dbraw/zinc/53/49/25/1264534925.db2.gz GBWBPWYMXRXJAX-NSISKUIASA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849504 1264534929 /nfs/dbraw/zinc/53/49/29/1264534929.db2.gz GBWBPWYMXRXJAX-NSISKUIASA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084938744 1264713024 /nfs/dbraw/zinc/71/30/24/1264713024.db2.gz CVVLTRBMLHWOOF-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084938744 1264713036 /nfs/dbraw/zinc/71/30/36/1264713036.db2.gz CVVLTRBMLHWOOF-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001410317628 1264773278 /nfs/dbraw/zinc/77/32/78/1264773278.db2.gz YLKHTPSMIXMOKG-KSSFIOAISA-N 1 3 326.444 2.540 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1)[NH+](C)C ZINC001084964768 1264777472 /nfs/dbraw/zinc/77/74/72/1264777472.db2.gz PLHHVVSYXABWMA-SQNIBIBYSA-N 1 3 349.544 2.757 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC001003543976 1264880541 /nfs/dbraw/zinc/88/05/41/1264880541.db2.gz KXCRQJUPHTVMNM-VMPITWQZSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001410372207 1264934650 /nfs/dbraw/zinc/93/46/50/1264934650.db2.gz CCZSICBNCIMLGN-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001410383290 1264965545 /nfs/dbraw/zinc/96/55/45/1264965545.db2.gz LCIOKWSZCRGDLS-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001410387165 1264977003 /nfs/dbraw/zinc/97/70/03/1264977003.db2.gz NVXPZUCZUQOKEB-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003625502 1264986445 /nfs/dbraw/zinc/98/64/45/1264986445.db2.gz HIPFCSDXWVHEIE-AEFFLSMTSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001410390238 1264989597 /nfs/dbraw/zinc/98/95/97/1264989597.db2.gz SMLDUJDYLPPAGX-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001003626977 1264994203 /nfs/dbraw/zinc/99/42/03/1264994203.db2.gz ZEOQUHLXGSGSDJ-KRWDZBQOSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628688 1264997262 /nfs/dbraw/zinc/99/72/62/1264997262.db2.gz TZKWXFJBUKQYKJ-KBXCAEBGSA-N 1 3 345.478 2.528 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001003628133 1264998723 /nfs/dbraw/zinc/99/87/23/1264998723.db2.gz MGEYDPWRHDZSJG-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001085072724 1265077231 /nfs/dbraw/zinc/07/72/31/1265077231.db2.gz QMRNSBBGXWLONE-QYZOEREBSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC)[C@H]2C1 ZINC001085072724 1265077239 /nfs/dbraw/zinc/07/72/39/1265077239.db2.gz QMRNSBBGXWLONE-QYZOEREBSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001410433628 1265173138 /nfs/dbraw/zinc/17/31/38/1265173138.db2.gz ITTKGYDOWCARGL-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001273268220 1265284656 /nfs/dbraw/zinc/28/46/56/1265284656.db2.gz FZBMNUOLQIGIQB-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001273268220 1265284661 /nfs/dbraw/zinc/28/46/61/1265284661.db2.gz FZBMNUOLQIGIQB-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001410443604 1265366918 /nfs/dbraw/zinc/36/69/18/1265366918.db2.gz VIMIDHKUGTZVND-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733750859 1265401675 /nfs/dbraw/zinc/40/16/75/1265401675.db2.gz CUXWCUKSEHNVKX-INIZCTEOSA-N 1 3 334.533 2.827 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C)cc1CN(C)C ZINC000733750859 1265401678 /nfs/dbraw/zinc/40/16/78/1265401678.db2.gz CUXWCUKSEHNVKX-INIZCTEOSA-N 1 3 334.533 2.827 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004368872 1266786719 /nfs/dbraw/zinc/78/67/19/1266786719.db2.gz FXDMEPQCJBMBLV-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004368872 1266786728 /nfs/dbraw/zinc/78/67/28/1266786728.db2.gz FXDMEPQCJBMBLV-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CC[NH+](C2CCN([C@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168735791 1267040817 /nfs/dbraw/zinc/04/08/17/1267040817.db2.gz UYTOHYHIOIGGBH-KRWDZBQOSA-N 1 3 333.907 2.519 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455777 1267083376 /nfs/dbraw/zinc/08/33/76/1267083376.db2.gz ATBNXYLVSVYENJ-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004455777 1267083387 /nfs/dbraw/zinc/08/33/87/1267083387.db2.gz ATBNXYLVSVYENJ-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463048 1267088818 /nfs/dbraw/zinc/08/88/18/1267088818.db2.gz INOPUYTXSFAOLD-MOPGFXCFSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001004463048 1267088827 /nfs/dbraw/zinc/08/88/27/1267088827.db2.gz INOPUYTXSFAOLD-MOPGFXCFSA-N 1 3 337.552 2.932 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CCC1 ZINC001004458527 1267092679 /nfs/dbraw/zinc/09/26/79/1267092679.db2.gz OAJHKWGDYFELMJ-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1)C1CCC1 ZINC001004458527 1267092693 /nfs/dbraw/zinc/09/26/93/1267092693.db2.gz OAJHKWGDYFELMJ-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCF)CC2)CCC1 ZINC001004460593 1267099353 /nfs/dbraw/zinc/09/93/53/1267099353.db2.gz ZYFFTGJDOMLBPG-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CCCF)CC2)CCC1 ZINC001004460593 1267099365 /nfs/dbraw/zinc/09/93/65/1267099365.db2.gz ZYFFTGJDOMLBPG-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004462508 1267103486 /nfs/dbraw/zinc/10/34/86/1267103486.db2.gz FIIQQMRBIOEEDB-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004462508 1267103489 /nfs/dbraw/zinc/10/34/89/1267103489.db2.gz FIIQQMRBIOEEDB-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1)N(C)C ZINC001004476662 1267129575 /nfs/dbraw/zinc/12/95/75/1267129575.db2.gz YYOUYOQHRCDBFK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1)N(C)C ZINC001004476662 1267129578 /nfs/dbraw/zinc/12/95/78/1267129578.db2.gz YYOUYOQHRCDBFK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033125741 1267138822 /nfs/dbraw/zinc/13/88/22/1267138822.db2.gz HQGMBFWKIMUZDB-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033125741 1267138824 /nfs/dbraw/zinc/13/88/24/1267138824.db2.gz HQGMBFWKIMUZDB-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033125405 1267151639 /nfs/dbraw/zinc/15/16/39/1267151639.db2.gz CUUQVMSLPKQIOD-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033125405 1267151644 /nfs/dbraw/zinc/15/16/44/1267151644.db2.gz CUUQVMSLPKQIOD-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033125396 1267151840 /nfs/dbraw/zinc/15/18/40/1267151840.db2.gz CRZDTAHNYKFNFR-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033125396 1267151844 /nfs/dbraw/zinc/15/18/44/1267151844.db2.gz CRZDTAHNYKFNFR-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033125396 1267151846 /nfs/dbraw/zinc/15/18/46/1267151846.db2.gz CRZDTAHNYKFNFR-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033125396 1267151849 /nfs/dbraw/zinc/15/18/49/1267151849.db2.gz CRZDTAHNYKFNFR-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033128031 1267154544 /nfs/dbraw/zinc/15/45/44/1267154544.db2.gz ZOUNMQAMNMNIQV-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033128031 1267154549 /nfs/dbraw/zinc/15/45/49/1267154549.db2.gz ZOUNMQAMNMNIQV-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033128035 1267155278 /nfs/dbraw/zinc/15/52/78/1267155278.db2.gz ZOUNMQAMNMNIQV-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033128035 1267155281 /nfs/dbraw/zinc/15/52/81/1267155281.db2.gz ZOUNMQAMNMNIQV-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033126409 1267171122 /nfs/dbraw/zinc/17/11/22/1267171122.db2.gz MRXMFWQBYSWMGC-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033126409 1267171130 /nfs/dbraw/zinc/17/11/30/1267171130.db2.gz MRXMFWQBYSWMGC-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004538687 1267245703 /nfs/dbraw/zinc/24/57/03/1267245703.db2.gz FIIQQMRBIOEEDB-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004538687 1267245711 /nfs/dbraw/zinc/24/57/11/1267245711.db2.gz FIIQQMRBIOEEDB-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004545499 1267267604 /nfs/dbraw/zinc/26/76/04/1267267604.db2.gz CUVPRPOCRMFJCT-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004545499 1267267614 /nfs/dbraw/zinc/26/76/14/1267267614.db2.gz CUVPRPOCRMFJCT-FXAWDEMLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004548729 1267272324 /nfs/dbraw/zinc/27/23/24/1267272324.db2.gz UHEVLYYYUSQHQO-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001004548729 1267272331 /nfs/dbraw/zinc/27/23/31/1267272331.db2.gz UHEVLYYYUSQHQO-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004549271 1267276625 /nfs/dbraw/zinc/27/66/25/1267276625.db2.gz WWSFSJOUUVWCMC-NFXOHUDVSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1)N(C)C ZINC001004549271 1267276628 /nfs/dbraw/zinc/27/66/28/1267276628.db2.gz WWSFSJOUUVWCMC-NFXOHUDVSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033147156 1267365944 /nfs/dbraw/zinc/36/59/44/1267365944.db2.gz USJRIDFUVZQOTP-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033147156 1267365951 /nfs/dbraw/zinc/36/59/51/1267365951.db2.gz USJRIDFUVZQOTP-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004614852 1267383583 /nfs/dbraw/zinc/38/35/83/1267383583.db2.gz CHFQSBWMCLRQNL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004614852 1267383594 /nfs/dbraw/zinc/38/35/94/1267383594.db2.gz CHFQSBWMCLRQNL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC1)N(C)C ZINC000946642836 1267449281 /nfs/dbraw/zinc/44/92/81/1267449281.db2.gz RHDHDDSFDPMJAV-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC1)N(C)C ZINC000946642836 1267449284 /nfs/dbraw/zinc/44/92/84/1267449284.db2.gz RHDHDDSFDPMJAV-HSALFYBXSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1)N(C)C ZINC000946642926 1267449455 /nfs/dbraw/zinc/44/94/55/1267449455.db2.gz VXFMSBWYLXAXPX-FGTMMUONSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1)N(C)C ZINC000946642926 1267449458 /nfs/dbraw/zinc/44/94/58/1267449458.db2.gz VXFMSBWYLXAXPX-FGTMMUONSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079708 1267473640 /nfs/dbraw/zinc/47/36/40/1267473640.db2.gz SUWHIHINKFLHDB-WIYYLYMNSA-N 1 3 343.515 2.809 20 0 EFADHO C[C@H](C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2)c1ccccc1 ZINC001273079708 1267473643 /nfs/dbraw/zinc/47/36/43/1267473643.db2.gz SUWHIHINKFLHDB-WIYYLYMNSA-N 1 3 343.515 2.809 20 0 EFADHO CCCc1ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001273341484 1267685397 /nfs/dbraw/zinc/68/53/97/1267685397.db2.gz QRWUBWUTCDVISO-IBGZPJMESA-N 1 3 349.544 2.687 20 0 EFADHO CCCc1ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001273341484 1267685403 /nfs/dbraw/zinc/68/54/03/1267685403.db2.gz QRWUBWUTCDVISO-IBGZPJMESA-N 1 3 349.544 2.687 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001128533014 1267695251 /nfs/dbraw/zinc/69/52/51/1267695251.db2.gz DNEAMULCMALOHK-OAHLLOKOSA-N 1 3 345.409 2.510 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001128534476 1267708751 /nfs/dbraw/zinc/70/87/51/1267708751.db2.gz YISJEKQYZHJVCH-BBRMVZONSA-N 1 3 343.874 2.787 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001128543119 1267750698 /nfs/dbraw/zinc/75/06/98/1267750698.db2.gz BVRJGTHHTNEIPY-AEFFLSMTSA-N 1 3 337.483 2.750 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)c1ccc(F)cc1 ZINC001128544654 1267759033 /nfs/dbraw/zinc/75/90/33/1267759033.db2.gz OJBONUBSDJHRFR-DLBZAZTESA-N 1 3 341.446 2.663 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085593081 1267936297 /nfs/dbraw/zinc/93/62/97/1267936297.db2.gz AJIGLQSSOKSBEN-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085593081 1267936301 /nfs/dbraw/zinc/93/63/01/1267936301.db2.gz AJIGLQSSOKSBEN-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085593080 1267937346 /nfs/dbraw/zinc/93/73/46/1267937346.db2.gz AJIGLQSSOKSBEN-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085593080 1267937359 /nfs/dbraw/zinc/93/73/59/1267937359.db2.gz AJIGLQSSOKSBEN-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085589621 1267949404 /nfs/dbraw/zinc/94/94/04/1267949404.db2.gz PTHYTGRFAPCEBX-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085589621 1267949409 /nfs/dbraw/zinc/94/94/09/1267949409.db2.gz PTHYTGRFAPCEBX-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@H]1CCN1CCC1=CCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597795 1267959808 /nfs/dbraw/zinc/95/98/08/1267959808.db2.gz GLKCHBMILSHNSI-UXHICEINSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C[C@H]1CCN1CCC1=CCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597797 1267960544 /nfs/dbraw/zinc/96/05/44/1267960544.db2.gz GLKCHBMILSHNSI-WOJBJXKFSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598079 1267962572 /nfs/dbraw/zinc/96/25/72/1267962572.db2.gz MOIKKFGGHLZPTA-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598079 1267962578 /nfs/dbraw/zinc/96/25/78/1267962578.db2.gz MOIKKFGGHLZPTA-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001085605648 1267970885 /nfs/dbraw/zinc/97/08/85/1267970885.db2.gz PGBWVJLLGKAQSQ-BHIYHBOVSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001085605648 1267970892 /nfs/dbraw/zinc/97/08/92/1267970892.db2.gz PGBWVJLLGKAQSQ-BHIYHBOVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2cccs2)CC[N@@H+]1C ZINC001085606046 1267971208 /nfs/dbraw/zinc/97/12/08/1267971208.db2.gz BUCQVJPBDDGMPQ-BPQIPLTHSA-N 1 3 349.544 2.554 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2cccs2)CC[N@H+]1C ZINC001085606046 1267971218 /nfs/dbraw/zinc/97/12/18/1267971218.db2.gz BUCQVJPBDDGMPQ-BPQIPLTHSA-N 1 3 349.544 2.554 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@@H+]1C ZINC001085606618 1267974316 /nfs/dbraw/zinc/97/43/16/1267974316.db2.gz RTBGHSKHQWEKBQ-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CCN2CCCC2CCC2)CC[N@H+]1C ZINC001085606618 1267974324 /nfs/dbraw/zinc/97/43/24/1267974324.db2.gz RTBGHSKHQWEKBQ-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085629253 1268050740 /nfs/dbraw/zinc/05/07/40/1268050740.db2.gz QBKZXRIGXOGBLL-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085629253 1268050752 /nfs/dbraw/zinc/05/07/52/1268050752.db2.gz QBKZXRIGXOGBLL-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085629375 1268051971 /nfs/dbraw/zinc/05/19/71/1268051971.db2.gz SFWMQWWPMCMDNW-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085629375 1268051979 /nfs/dbraw/zinc/05/19/79/1268051979.db2.gz SFWMQWWPMCMDNW-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085629217 1268052845 /nfs/dbraw/zinc/05/28/45/1268052845.db2.gz OGXNXFXYMYOWBM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085629217 1268052858 /nfs/dbraw/zinc/05/28/58/1268052858.db2.gz OGXNXFXYMYOWBM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639674 1268095036 /nfs/dbraw/zinc/09/50/36/1268095036.db2.gz UFVMINAFETUNME-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@@H]1CCN1CC1CCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639674 1268095047 /nfs/dbraw/zinc/09/50/47/1268095047.db2.gz UFVMINAFETUNME-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001004942456 1268197843 /nfs/dbraw/zinc/19/78/43/1268197843.db2.gz AWUNYEABBNBOPA-LPHOPBHVSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004947338 1268201061 /nfs/dbraw/zinc/20/10/61/1268201061.db2.gz AFIMEHDGDXLLBK-WMLDXEAASA-N 1 3 332.492 2.748 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001004945658 1268227990 /nfs/dbraw/zinc/22/79/90/1268227990.db2.gz JVQGZTAFDSYPKJ-VQIMIIECSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004951572 1268241719 /nfs/dbraw/zinc/24/17/19/1268241719.db2.gz FHIQCRRQVFTEAX-QAPCUYQASA-N 1 3 326.444 2.512 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225028 1268313040 /nfs/dbraw/zinc/31/30/40/1268313040.db2.gz CFAZGHSUPCXJHG-IBGZPJMESA-N 1 3 341.499 2.656 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776174 1268475431 /nfs/dbraw/zinc/47/54/31/1268475431.db2.gz FXJCNGQPTJGSOS-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776174 1268475435 /nfs/dbraw/zinc/47/54/35/1268475435.db2.gz FXJCNGQPTJGSOS-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779640 1268515997 /nfs/dbraw/zinc/51/59/97/1268515997.db2.gz RSKLZCWFGYHFFG-ZSYWTGECSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779640 1268516001 /nfs/dbraw/zinc/51/60/01/1268516001.db2.gz RSKLZCWFGYHFFG-ZSYWTGECSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1)N(C)C ZINC000946784816 1268582712 /nfs/dbraw/zinc/58/27/12/1268582712.db2.gz VXFMSBWYLXAXPX-KSZLIROESA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1)N(C)C ZINC000946784816 1268582715 /nfs/dbraw/zinc/58/27/15/1268582715.db2.gz VXFMSBWYLXAXPX-KSZLIROESA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085799737 1268596980 /nfs/dbraw/zinc/59/69/80/1268596980.db2.gz ZYZHDOYHPSXDJJ-LJQANCHMSA-N 1 3 343.515 2.678 20 0 EFADHO CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)CC1 ZINC001273125477 1268606559 /nfs/dbraw/zinc/60/65/59/1268606559.db2.gz QIGWOEQTVLPCRD-OALUTQOASA-N 1 3 347.547 2.855 20 0 EFADHO CCCc1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)cc1 ZINC001273363936 1268642409 /nfs/dbraw/zinc/64/24/09/1268642409.db2.gz SMJUWMKRLDOVFQ-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273127931 1268681496 /nfs/dbraw/zinc/68/14/96/1268681496.db2.gz KUXUPENBACGEKG-RCCFBDPRSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294989 1268689828 /nfs/dbraw/zinc/68/98/28/1268689828.db2.gz GRCYSSWXSGOZLC-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294989 1268689835 /nfs/dbraw/zinc/68/98/35/1268689835.db2.gz GRCYSSWXSGOZLC-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946807920 1268772472 /nfs/dbraw/zinc/77/24/72/1268772472.db2.gz GQAFJZCLONGTNY-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946807920 1268772476 /nfs/dbraw/zinc/77/24/76/1268772476.db2.gz GQAFJZCLONGTNY-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033318638 1268779002 /nfs/dbraw/zinc/77/90/02/1268779002.db2.gz KABQYJIUSUQJEX-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033318638 1268779009 /nfs/dbraw/zinc/77/90/09/1268779009.db2.gz KABQYJIUSUQJEX-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354689 1268934836 /nfs/dbraw/zinc/93/48/36/1268934836.db2.gz RJYLWMAGFBLITH-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354689 1268934837 /nfs/dbraw/zinc/93/48/37/1268934837.db2.gz RJYLWMAGFBLITH-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033415650 1269083447 /nfs/dbraw/zinc/08/34/47/1269083447.db2.gz JVIQKBBNDUKJSW-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033415650 1269083453 /nfs/dbraw/zinc/08/34/53/1269083453.db2.gz JVIQKBBNDUKJSW-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417262 1269091429 /nfs/dbraw/zinc/09/14/29/1269091429.db2.gz VRPXBPOFYRQALJ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417262 1269091439 /nfs/dbraw/zinc/09/14/39/1269091439.db2.gz VRPXBPOFYRQALJ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001033417966 1269094685 /nfs/dbraw/zinc/09/46/85/1269094685.db2.gz BPOLPPIHLVQATM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001033417966 1269094689 /nfs/dbraw/zinc/09/46/89/1269094689.db2.gz BPOLPPIHLVQATM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001033419037 1269099512 /nfs/dbraw/zinc/09/95/12/1269099512.db2.gz GHVOSVGVIMIPKG-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001033419037 1269099520 /nfs/dbraw/zinc/09/95/20/1269099520.db2.gz GHVOSVGVIMIPKG-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928132 1269130171 /nfs/dbraw/zinc/13/01/71/1269130171.db2.gz OZWLEQIKIJOKGB-RTBURBONSA-N 1 3 341.499 2.766 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC001033476788 1269226267 /nfs/dbraw/zinc/22/62/67/1269226267.db2.gz XNTAIUSXMKLEIN-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001033472452 1269257266 /nfs/dbraw/zinc/25/72/66/1269257266.db2.gz WDTVTQUIKQNZQY-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005179298 1269337276 /nfs/dbraw/zinc/33/72/76/1269337276.db2.gz MIRGPZOPZAQDLW-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO CCc1cccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001005177843 1269337419 /nfs/dbraw/zinc/33/74/19/1269337419.db2.gz FIHDQVIZMSVOAT-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001005180634 1269339621 /nfs/dbraw/zinc/33/96/21/1269339621.db2.gz UENJGBSZIZKJNO-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005182841 1269346439 /nfs/dbraw/zinc/34/64/39/1269346439.db2.gz HFMUTCHCJODLFG-LPHOPBHVSA-N 1 3 329.488 2.765 20 0 EFADHO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001005183441 1269353405 /nfs/dbraw/zinc/35/34/05/1269353405.db2.gz IMZSQSIKZYPQBX-KRWDZBQOSA-N 1 3 335.517 2.574 20 0 EFADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986927 1269400510 /nfs/dbraw/zinc/40/05/10/1269400510.db2.gz PPPMDKUACMVSAZ-RDJZCZTQSA-N 1 3 335.467 2.643 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033581316 1269487488 /nfs/dbraw/zinc/48/74/88/1269487488.db2.gz JJGLPOIJJKUCFX-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033581316 1269487490 /nfs/dbraw/zinc/48/74/90/1269487490.db2.gz JJGLPOIJJKUCFX-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582044 1269489608 /nfs/dbraw/zinc/48/96/08/1269489608.db2.gz NKCOUOIPEOOWSP-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582044 1269489610 /nfs/dbraw/zinc/48/96/10/1269489610.db2.gz NKCOUOIPEOOWSP-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033588885 1269506987 /nfs/dbraw/zinc/50/69/87/1269506987.db2.gz LTECCPXUPQOBOC-MRXNPFEDSA-N 1 3 344.503 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033588885 1269506992 /nfs/dbraw/zinc/50/69/92/1269506992.db2.gz LTECCPXUPQOBOC-MRXNPFEDSA-N 1 3 344.503 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033591047 1269511356 /nfs/dbraw/zinc/51/13/56/1269511356.db2.gz SMMPCFLJMFGCQP-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033591047 1269511366 /nfs/dbraw/zinc/51/13/66/1269511366.db2.gz SMMPCFLJMFGCQP-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033684983 1269794322 /nfs/dbraw/zinc/79/43/22/1269794322.db2.gz JYBXPNIRKIKEDW-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033684983 1269794333 /nfs/dbraw/zinc/79/43/33/1269794333.db2.gz JYBXPNIRKIKEDW-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686153 1269798252 /nfs/dbraw/zinc/79/82/52/1269798252.db2.gz NZTHTEDKBIXMNP-DOTOQJQBSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033686153 1269798257 /nfs/dbraw/zinc/79/82/57/1269798257.db2.gz NZTHTEDKBIXMNP-DOTOQJQBSA-N 1 3 335.467 2.643 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086084832 1269858728 /nfs/dbraw/zinc/85/87/28/1269858728.db2.gz IGXQKDCVOFOWIJ-UHOSZYNNSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086084896 1269858815 /nfs/dbraw/zinc/85/88/15/1269858815.db2.gz JZGGGPZVLSGQFM-BBWFWOEESA-N 1 3 335.517 2.605 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@H]1C ZINC001410868559 1269958158 /nfs/dbraw/zinc/95/81/58/1269958158.db2.gz WOJLXXYSOMCZKW-PBHICJAKSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@H]1C ZINC001410868559 1269958164 /nfs/dbraw/zinc/95/81/64/1269958164.db2.gz WOJLXXYSOMCZKW-PBHICJAKSA-N 1 3 337.895 2.761 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033838455 1270319973 /nfs/dbraw/zinc/31/99/73/1270319973.db2.gz OMWBEJZLOFVALG-MISYRCLQSA-N 1 3 343.515 2.758 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033838455 1270319982 /nfs/dbraw/zinc/31/99/82/1270319982.db2.gz OMWBEJZLOFVALG-MISYRCLQSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001410945455 1270331699 /nfs/dbraw/zinc/33/16/99/1270331699.db2.gz CVPXEBKMJZMSGK-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198227 1270433104 /nfs/dbraw/zinc/43/31/04/1270433104.db2.gz NSHOPFDJACKMPX-DIECFANBSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198227 1270433108 /nfs/dbraw/zinc/43/31/08/1270433108.db2.gz NSHOPFDJACKMPX-DIECFANBSA-N 1 3 349.906 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001410957753 1270433814 /nfs/dbraw/zinc/43/38/14/1270433814.db2.gz OJWAWUUWAPBUCK-RTBURBONSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086217119 1270519575 /nfs/dbraw/zinc/51/95/75/1270519575.db2.gz OIOBRHWCQHXDMV-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365606125 1270843161 /nfs/dbraw/zinc/84/31/61/1270843161.db2.gz ZRDUPQPTJJGLOV-YSIASYRMSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000365606125 1270843169 /nfs/dbraw/zinc/84/31/69/1270843169.db2.gz ZRDUPQPTJJGLOV-YSIASYRMSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001034005124 1270860177 /nfs/dbraw/zinc/86/01/77/1270860177.db2.gz RRURLKMWEHQAJY-LJQANCHMSA-N 1 3 335.536 2.996 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034040311 1270917461 /nfs/dbraw/zinc/91/74/61/1270917461.db2.gz RSIURLTXURFRQR-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034040311 1270917471 /nfs/dbraw/zinc/91/74/71/1270917471.db2.gz RSIURLTXURFRQR-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001034044668 1270955169 /nfs/dbraw/zinc/95/51/69/1270955169.db2.gz CWQUWTWMMMAJHW-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001034044668 1270955173 /nfs/dbraw/zinc/95/51/73/1270955173.db2.gz CWQUWTWMMMAJHW-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC001086370507 1271168745 /nfs/dbraw/zinc/16/87/45/1271168745.db2.gz KPWDUWPBUIYVKJ-PCODUJHASA-N 1 3 347.478 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC001086370507 1271168750 /nfs/dbraw/zinc/16/87/50/1271168750.db2.gz KPWDUWPBUIYVKJ-PCODUJHASA-N 1 3 347.478 2.540 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086364526 1271169129 /nfs/dbraw/zinc/16/91/29/1271169129.db2.gz IGXQKDCVOFOWIJ-BHIYHBOVSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034133385 1271184629 /nfs/dbraw/zinc/18/46/29/1271184629.db2.gz YUCVWPCRBIZZHD-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001034133385 1271184634 /nfs/dbraw/zinc/18/46/34/1271184634.db2.gz YUCVWPCRBIZZHD-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086381885 1271224599 /nfs/dbraw/zinc/22/45/99/1271224599.db2.gz MCWGSXPCBINFAY-FHWLQOOXSA-N 1 3 329.488 2.545 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086382260 1271225253 /nfs/dbraw/zinc/22/52/53/1271225253.db2.gz ZENWYLNQSAJXQM-UFYCRDLUSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001086382110 1271225350 /nfs/dbraw/zinc/22/53/50/1271225350.db2.gz UDEKGMAOQAEFEO-MISYRCLQSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CC2CCC2)C1 ZINC001034288044 1271565709 /nfs/dbraw/zinc/56/57/09/1271565709.db2.gz LUJDGKRLYIVPLL-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCC2)C1 ZINC001034288044 1271565719 /nfs/dbraw/zinc/56/57/19/1271565719.db2.gz LUJDGKRLYIVPLL-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CCN1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329236 1271669024 /nfs/dbraw/zinc/66/90/24/1271669024.db2.gz GGIBPKUWHDBAKE-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329236 1271669028 /nfs/dbraw/zinc/66/90/28/1271669028.db2.gz GGIBPKUWHDBAKE-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001034329236 1271669033 /nfs/dbraw/zinc/66/90/33/1271669033.db2.gz GGIBPKUWHDBAKE-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478338 1271697382 /nfs/dbraw/zinc/69/73/82/1271697382.db2.gz NSHOPFDJACKMPX-NXNVCVFFSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478338 1271697388 /nfs/dbraw/zinc/69/73/88/1271697388.db2.gz NSHOPFDJACKMPX-NXNVCVFFSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000746130871 1271805979 /nfs/dbraw/zinc/80/59/79/1271805979.db2.gz GHDNJQIRSJDSHE-IRXDYDNUSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000746130871 1271806004 /nfs/dbraw/zinc/80/60/04/1271806004.db2.gz GHDNJQIRSJDSHE-IRXDYDNUSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086497184 1271865900 /nfs/dbraw/zinc/86/59/00/1271865900.db2.gz AJHBMMQWZQSUEV-KZNAEPCWSA-N 1 3 349.544 2.995 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399307 1271895060 /nfs/dbraw/zinc/89/50/60/1271895060.db2.gz SGXIZPSTZSFZMR-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399307 1271895073 /nfs/dbraw/zinc/89/50/73/1271895073.db2.gz SGXIZPSTZSFZMR-CRAIPNDOSA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)CCC1 ZINC001411206854 1271946767 /nfs/dbraw/zinc/94/67/67/1271946767.db2.gz LHVRAGVAQBKRBC-AWEZNQCLSA-N 1 3 345.478 2.637 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746292094 1271947321 /nfs/dbraw/zinc/94/73/21/1271947321.db2.gz AHFORCFYWVLIEL-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746292094 1271947328 /nfs/dbraw/zinc/94/73/28/1271947328.db2.gz AHFORCFYWVLIEL-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]CC2CC(F)(F)C2)C(C)(C)C)CCC1 ZINC001411206860 1271947691 /nfs/dbraw/zinc/94/76/91/1271947691.db2.gz LHVRAGVAQBKRBC-CQSZACIVSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000746305985 1271970658 /nfs/dbraw/zinc/97/06/58/1271970658.db2.gz FQIYQSMORNHQKY-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034524268 1272191976 /nfs/dbraw/zinc/19/19/76/1272191976.db2.gz FNWMFZIOLYGNSI-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034524268 1272191982 /nfs/dbraw/zinc/19/19/82/1272191982.db2.gz FNWMFZIOLYGNSI-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524537 1272192630 /nfs/dbraw/zinc/19/26/30/1272192630.db2.gz HFYQDDHNBNDZQP-APWZRJJASA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034524537 1272192635 /nfs/dbraw/zinc/19/26/35/1272192635.db2.gz HFYQDDHNBNDZQP-APWZRJJASA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)c1 ZINC001034537773 1272238018 /nfs/dbraw/zinc/23/80/18/1272238018.db2.gz OIUXVDBWPGYURD-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)c1 ZINC001034537773 1272238026 /nfs/dbraw/zinc/23/80/26/1272238026.db2.gz OIUXVDBWPGYURD-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557378 1272257358 /nfs/dbraw/zinc/25/73/58/1272257358.db2.gz VGCHDWWUPUKHSC-SFHVURJKSA-N 1 3 331.504 2.641 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168807548 1272414627 /nfs/dbraw/zinc/41/46/27/1272414627.db2.gz OYQPPSDUVIUWEE-GOEBONIOSA-N 1 3 325.497 2.848 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886724 1272484784 /nfs/dbraw/zinc/48/47/84/1272484784.db2.gz ZZRVMLBCEFXSDJ-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886724 1272484787 /nfs/dbraw/zinc/48/47/87/1272484787.db2.gz ZZRVMLBCEFXSDJ-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001168886724 1272484790 /nfs/dbraw/zinc/48/47/90/1272484790.db2.gz ZZRVMLBCEFXSDJ-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001168886724 1272484795 /nfs/dbraw/zinc/48/47/95/1272484795.db2.gz ZZRVMLBCEFXSDJ-WCXIOVBPSA-N 1 3 337.508 2.658 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001168756440 1272626291 /nfs/dbraw/zinc/62/62/91/1272626291.db2.gz YVQNCPODYCVVES-AWEZNQCLSA-N 1 3 325.884 2.839 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC001169093202 1272643492 /nfs/dbraw/zinc/64/34/92/1272643492.db2.gz FZNOZTPWPDICAC-ZWUHOBOKSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)C2 ZINC001169098591 1272651294 /nfs/dbraw/zinc/65/12/94/1272651294.db2.gz JHTLJGSDCGVORJ-IBEHDNSVSA-N 1 3 341.471 2.549 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097557 1272651940 /nfs/dbraw/zinc/65/19/40/1272651940.db2.gz BMOKDAFJZPIEKK-OKYOBFRVSA-N 1 3 327.472 2.506 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097557 1272651945 /nfs/dbraw/zinc/65/19/45/1272651945.db2.gz BMOKDAFJZPIEKK-OKYOBFRVSA-N 1 3 327.472 2.506 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097554 1272652099 /nfs/dbraw/zinc/65/20/99/1272652099.db2.gz BMOKDAFJZPIEKK-AKHDSKFASA-N 1 3 327.472 2.506 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097554 1272652107 /nfs/dbraw/zinc/65/21/07/1272652107.db2.gz BMOKDAFJZPIEKK-AKHDSKFASA-N 1 3 327.472 2.506 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4cccs4)C[C@@H]3C1)C2 ZINC001169131370 1272687886 /nfs/dbraw/zinc/68/78/86/1272687886.db2.gz SQQJOYDKXDLDDD-DZVNLGKHSA-N 1 3 331.529 2.737 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001169111886 1272703122 /nfs/dbraw/zinc/70/31/22/1272703122.db2.gz QSCBIDBSCHBZDZ-RHJCGQNESA-N 1 3 335.492 2.742 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1N3C(=O)OC(C)(C)C)C2 ZINC001169111886 1272703128 /nfs/dbraw/zinc/70/31/28/1272703128.db2.gz QSCBIDBSCHBZDZ-RHJCGQNESA-N 1 3 335.492 2.742 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)C2 ZINC001169143077 1272704149 /nfs/dbraw/zinc/70/41/49/1272704149.db2.gz XFGPTSVCSYBRSE-XKRYSZRTSA-N 1 3 325.500 2.675 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](NC(=O)c3ccc(F)cc3)C1)C2 ZINC001169153237 1272714449 /nfs/dbraw/zinc/71/44/49/1272714449.db2.gz HFQQKXJCFSILFF-YRXWBPOGSA-N 1 3 345.462 2.645 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](NC(=O)c3ccc(F)cc3)C1)C2 ZINC001169153237 1272714456 /nfs/dbraw/zinc/71/44/56/1272714456.db2.gz HFQQKXJCFSILFF-YRXWBPOGSA-N 1 3 345.462 2.645 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153056 1272714944 /nfs/dbraw/zinc/71/49/44/1272714944.db2.gz GKONRMANULSLQN-MKSNKDDYSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153056 1272714949 /nfs/dbraw/zinc/71/49/49/1272714949.db2.gz GKONRMANULSLQN-MKSNKDDYSA-N 1 3 337.508 2.848 20 0 EFADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(CN(C)C)cn1 ZINC001169174759 1272739368 /nfs/dbraw/zinc/73/93/68/1272739368.db2.gz FZNGSYRNQCNDAX-UHFFFAOYSA-N 1 3 338.455 2.905 20 0 EFADHO CC[NH+]1CCC(N2C[C@H]3CC[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)CC1 ZINC001169266584 1272755995 /nfs/dbraw/zinc/75/59/95/1272755995.db2.gz WQUJQJMJKCTMDN-SCAQPMJSSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001034735892 1272763451 /nfs/dbraw/zinc/76/34/51/1272763451.db2.gz PJXOFTUYPMZFHR-BHIYHBOVSA-N 1 3 333.520 2.988 20 0 EFADHO Fc1ccc(NCc2ncn3c2C[NH2+]CCC3)cc1CN1CCCC1 ZINC001169245376 1272767970 /nfs/dbraw/zinc/76/79/70/1272767970.db2.gz TUISVPXQUKEZNU-UHFFFAOYSA-N 1 3 343.450 2.723 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)CC1 ZINC001171103297 1278738788 /nfs/dbraw/zinc/73/87/88/1278738788.db2.gz ZWCNSLIOFGQWLB-IBGZPJMESA-N 1 3 335.923 2.813 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH2+]CC1CCN(Cc2ccccn2)CC1 ZINC001169448077 1272922792 /nfs/dbraw/zinc/92/27/92/1272922792.db2.gz ZTFPNMGEPBNSTJ-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001169452205 1272925124 /nfs/dbraw/zinc/92/51/24/1272925124.db2.gz LHVWUDZJQAFAPY-OAHLLOKOSA-N 1 3 335.467 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001034785626 1272960909 /nfs/dbraw/zinc/96/09/09/1272960909.db2.gz DGKDFJFDGQQONF-CWQOZTLDSA-N 1 3 344.503 2.714 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001129332140 1272963301 /nfs/dbraw/zinc/96/33/01/1272963301.db2.gz ADRIWZRGEJDBNE-CYBMUJFWSA-N 1 3 343.924 2.585 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001129332140 1272963307 /nfs/dbraw/zinc/96/33/07/1272963307.db2.gz ADRIWZRGEJDBNE-CYBMUJFWSA-N 1 3 343.924 2.585 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC001169513273 1272975836 /nfs/dbraw/zinc/97/58/36/1272975836.db2.gz LDPFEZWSJGJMGB-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(Br)cnc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206014077 1273054092 /nfs/dbraw/zinc/05/40/92/1273054092.db2.gz VXSKSZIJVKNRCY-CHWSQXEVSA-N 1 3 326.282 2.959 20 0 EFADHO CCOC(=O)N1CCC[C@H]([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001169645671 1273061123 /nfs/dbraw/zinc/06/11/23/1273061123.db2.gz AMRZRVYSWFPTFL-HNNXBMFYSA-N 1 3 325.497 2.978 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([NH2+]CCCN2CCC(C)CC2)CC1 ZINC001169644991 1273061516 /nfs/dbraw/zinc/06/15/16/1273061516.db2.gz KQLXANXNUOGRND-QGZVFWFLSA-N 1 3 325.497 2.709 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)C1 ZINC001034831261 1273096455 /nfs/dbraw/zinc/09/64/55/1273096455.db2.gz OWZFICYNMGFDHK-SFHVURJKSA-N 1 3 343.496 2.606 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCc2ccc(CNCc3ccsc3)cc2)C1 ZINC001034831261 1273096463 /nfs/dbraw/zinc/09/64/63/1273096463.db2.gz OWZFICYNMGFDHK-SFHVURJKSA-N 1 3 343.496 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034831969 1273098894 /nfs/dbraw/zinc/09/88/94/1273098894.db2.gz HRXUWLRLTSBPHU-IBGZPJMESA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-n3ccc(C[NH3+])c3)c(F)c2)CC1 ZINC001169727284 1273105123 /nfs/dbraw/zinc/10/51/23/1273105123.db2.gz UUXBGLRCCXEMJI-UHFFFAOYSA-N 1 3 330.451 2.601 20 0 EFADHO CCOC(=O)N1CCC[C@H](N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001169713798 1273116959 /nfs/dbraw/zinc/11/69/59/1273116959.db2.gz QMVIUDYSMPICJB-KRWDZBQOSA-N 1 3 346.475 2.523 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169722217 1273124381 /nfs/dbraw/zinc/12/43/81/1273124381.db2.gz XRYYANBENYGTPY-IBGZPJMESA-N 1 3 329.488 2.754 20 0 EFADHO CC[NH+]1CCC(N(C)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774565 1273147775 /nfs/dbraw/zinc/14/77/75/1273147775.db2.gz GCWYVQUUBBRPDZ-LJQANCHMSA-N 1 3 329.488 2.707 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001034885438 1273149387 /nfs/dbraw/zinc/14/93/87/1273149387.db2.gz SYWBHJNMIKTXJB-IAGOWNOFSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001034884843 1273150270 /nfs/dbraw/zinc/15/02/70/1273150270.db2.gz MBYFATZCXFNAMI-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791083 1273170116 /nfs/dbraw/zinc/17/01/16/1273170116.db2.gz RDCXRXIKJATAGO-AQNXPRMDSA-N 1 3 341.499 2.565 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]2C1 ZINC001169791083 1273170122 /nfs/dbraw/zinc/17/01/22/1273170122.db2.gz RDCXRXIKJATAGO-AQNXPRMDSA-N 1 3 341.499 2.565 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001034957430 1273270534 /nfs/dbraw/zinc/27/05/34/1273270534.db2.gz UIVDROSYVMAZAJ-QGZVFWFLSA-N 1 3 349.544 2.930 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC001034957520 1273271150 /nfs/dbraw/zinc/27/11/50/1273271150.db2.gz YVDADSUELVAUBT-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001034957770 1273272743 /nfs/dbraw/zinc/27/27/43/1273272743.db2.gz ILPOFQRNTRFCLY-VQIMIIECSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001034958293 1273273033 /nfs/dbraw/zinc/27/30/33/1273273033.db2.gz GULBCSNLIWFROY-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001034960470 1273273777 /nfs/dbraw/zinc/27/37/77/1273273777.db2.gz LEYRYBYFWBISRM-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001034974225 1273296590 /nfs/dbraw/zinc/29/65/90/1273296590.db2.gz FPUKUYVYUURUNO-HDMKZQKVSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001034974961 1273298457 /nfs/dbraw/zinc/29/84/57/1273298457.db2.gz MRUWIYBPCBGZQK-BHIYHBOVSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001034975659 1273300193 /nfs/dbraw/zinc/30/01/93/1273300193.db2.gz WQNXBDOSNUTLCJ-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001034975548 1273300292 /nfs/dbraw/zinc/30/02/92/1273300292.db2.gz SRNSWUUQVGGWBK-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034960610 1273311651 /nfs/dbraw/zinc/31/16/51/1273311651.db2.gz NAPZHGIPYVAGBE-RTBURBONSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001034964298 1273317799 /nfs/dbraw/zinc/31/77/99/1273317799.db2.gz GRUJZOKYNSDNCA-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001129356697 1273372557 /nfs/dbraw/zinc/37/25/57/1273372557.db2.gz FYHTXGCXSXYDNR-MRXNPFEDSA-N 1 3 337.895 2.981 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+][C@@H]2CCc3c2cccc3Cl)CCC1 ZINC001129356803 1273372927 /nfs/dbraw/zinc/37/29/27/1273372927.db2.gz IIYWTNDCYASISN-MRXNPFEDSA-N 1 3 335.879 2.517 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703614 1273376607 /nfs/dbraw/zinc/37/66/07/1273376607.db2.gz SFPNUIWLUDJYQI-BZSNNMDCSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001035013642 1273386150 /nfs/dbraw/zinc/38/61/50/1273386150.db2.gz MLQKYVVHPNQJOG-BHIYHBOVSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)C2(N(C)C)CCC2)c(C)c1C ZINC001129358898 1273397127 /nfs/dbraw/zinc/39/71/27/1273397127.db2.gz YCQKONGUVUVAMV-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001035038386 1273423998 /nfs/dbraw/zinc/42/39/98/1273423998.db2.gz GRUJZOKYNSDNCA-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1cccc2ccccc21 ZINC001035062095 1273447165 /nfs/dbraw/zinc/44/71/65/1273447165.db2.gz FEPFUVQEJWSKHW-LJQANCHMSA-N 1 3 348.450 2.886 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001035062354 1273448836 /nfs/dbraw/zinc/44/88/36/1273448836.db2.gz HGVYQTMJWWRZIO-LJQANCHMSA-N 1 3 340.471 2.686 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001035062339 1273449149 /nfs/dbraw/zinc/44/91/49/1273449149.db2.gz GTATXEWJTIEIMW-FUHWJXTLSA-N 1 3 340.471 2.911 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001035062795 1273450323 /nfs/dbraw/zinc/45/03/23/1273450323.db2.gz NEARFCVKVUFPHY-IEBWSBKVSA-N 1 3 338.455 2.610 20 0 EFADHO CCC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768585 1273456120 /nfs/dbraw/zinc/45/61/20/1273456120.db2.gz CAPTWDXZXYTVQL-KJOHKCLLSA-N 1 3 330.476 2.668 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001035047304 1273462886 /nfs/dbraw/zinc/46/28/86/1273462886.db2.gz AAFQKKFNPMSJLM-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001035047726 1273464404 /nfs/dbraw/zinc/46/44/04/1273464404.db2.gz GEERQULJPKSDJU-OXJNMPFZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)cc1 ZINC001035048758 1273465719 /nfs/dbraw/zinc/46/57/19/1273465719.db2.gz VDSGRVROHJIJEP-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764342 1273467500 /nfs/dbraw/zinc/46/75/00/1273467500.db2.gz ISZDWVLOPBZADX-KSZLIROESA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001035050050 1273468084 /nfs/dbraw/zinc/46/80/84/1273468084.db2.gz CBXJMYQRMZWWSZ-NVXWUHKLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001035050050 1273468089 /nfs/dbraw/zinc/46/80/89/1273468089.db2.gz CBXJMYQRMZWWSZ-NVXWUHKLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001035050049 1273468661 /nfs/dbraw/zinc/46/86/61/1273468661.db2.gz CBXJMYQRMZWWSZ-DOTOQJQBSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CNCc1ccccc1Cl ZINC001035050049 1273468668 /nfs/dbraw/zinc/46/86/68/1273468668.db2.gz CBXJMYQRMZWWSZ-DOTOQJQBSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001035052194 1273469419 /nfs/dbraw/zinc/46/94/19/1273469419.db2.gz HWGYBFLMKPFPAH-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001035051616 1273470021 /nfs/dbraw/zinc/47/00/21/1273470021.db2.gz QIXRYZDEUMTQKQ-QFBILLFUSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001035051593 1273470260 /nfs/dbraw/zinc/47/02/60/1273470260.db2.gz PHZRPRFSHLKWHK-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c(C)c1 ZINC001035052382 1273471038 /nfs/dbraw/zinc/47/10/38/1273471038.db2.gz WSOGSECQRLKKFJ-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001035052500 1273471298 /nfs/dbraw/zinc/47/12/98/1273471298.db2.gz YRSYQPMFGLCSBN-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001035054573 1273472279 /nfs/dbraw/zinc/47/22/79/1273472279.db2.gz FPUKUYVYUURUNO-DAYGRLMNSA-N 1 3 335.467 2.808 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035101681 1273516869 /nfs/dbraw/zinc/51/68/69/1273516869.db2.gz AOSXGAXKDXQQBF-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035101681 1273516872 /nfs/dbraw/zinc/51/68/72/1273516872.db2.gz AOSXGAXKDXQQBF-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO CN(CC(=O)Nc1ccc(N2CCCCC2)cc1)C1CCC([NH3+])CC1 ZINC000844221420 1278797169 /nfs/dbraw/zinc/79/71/69/1278797169.db2.gz ZQMHXQOIWWWXQA-UHFFFAOYSA-N 1 3 344.503 2.817 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001035165928 1273634599 /nfs/dbraw/zinc/63/45/99/1273634599.db2.gz BCKDPIGYBWPKOL-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001035165928 1273634608 /nfs/dbraw/zinc/63/46/08/1273634608.db2.gz BCKDPIGYBWPKOL-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC[C@H](C)F)C2)CC1)N(C)C ZINC001035197082 1273760065 /nfs/dbraw/zinc/76/00/65/1273760065.db2.gz SMPIGUGJNBJQJQ-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC[C@H](C)F)C2)CC1)N(C)C ZINC001035197082 1273760071 /nfs/dbraw/zinc/76/00/71/1273760071.db2.gz SMPIGUGJNBJQJQ-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](C/C=C\Cl)C3)CC2)CCC1 ZINC001035193515 1273814942 /nfs/dbraw/zinc/81/49/42/1273814942.db2.gz FCCUHGOCDXGWDN-WMZJFQQLSA-N 1 3 339.911 2.538 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](C/C=C\Cl)C3)CC2)CCC1 ZINC001035193515 1273814947 /nfs/dbraw/zinc/81/49/47/1273814947.db2.gz FCCUHGOCDXGWDN-WMZJFQQLSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035225986 1273843331 /nfs/dbraw/zinc/84/33/31/1273843331.db2.gz CUMFIMJKMLBAJM-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035225986 1273843337 /nfs/dbraw/zinc/84/33/37/1273843337.db2.gz CUMFIMJKMLBAJM-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035226248 1273843690 /nfs/dbraw/zinc/84/36/90/1273843690.db2.gz FOKNQHGPNBOYFB-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC2(C1)CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035226248 1273843718 /nfs/dbraw/zinc/84/37/18/1273843718.db2.gz FOKNQHGPNBOYFB-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227432 1273849164 /nfs/dbraw/zinc/84/91/64/1273849164.db2.gz RXQFODCCCVRPKN-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035227432 1273849170 /nfs/dbraw/zinc/84/91/70/1273849170.db2.gz RXQFODCCCVRPKN-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@H+](CC4CCCC4)C3)CC2)C1 ZINC001035227812 1273851591 /nfs/dbraw/zinc/85/15/91/1273851591.db2.gz ZSFIOADRYPDMBH-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CCCC4)C3)CC2)C1 ZINC001035227812 1273851603 /nfs/dbraw/zinc/85/16/03/1273851603.db2.gz ZSFIOADRYPDMBH-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238540 1273902797 /nfs/dbraw/zinc/90/27/97/1273902797.db2.gz CVKMLUMKYYRDCL-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035238540 1273902804 /nfs/dbraw/zinc/90/28/04/1273902804.db2.gz CVKMLUMKYYRDCL-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001035231491 1273940422 /nfs/dbraw/zinc/94/04/22/1273940422.db2.gz MUSYUZWDKNGZRH-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC3(C2)CCN(C(=O)Cc2c[nH]cn2)CC3)C1 ZINC001035231491 1273940425 /nfs/dbraw/zinc/94/04/25/1273940425.db2.gz MUSYUZWDKNGZRH-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1 ZINC001035260340 1273956003 /nfs/dbraw/zinc/95/60/03/1273956003.db2.gz UFAFBRHPMJTBIC-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1 ZINC001035260340 1273956013 /nfs/dbraw/zinc/95/60/13/1273956013.db2.gz UFAFBRHPMJTBIC-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109360908 1274191284 /nfs/dbraw/zinc/19/12/84/1274191284.db2.gz HJCBHBCPBHKRNU-QZWWFDLISA-N 1 3 345.478 2.528 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109360908 1274191289 /nfs/dbraw/zinc/19/12/89/1274191289.db2.gz HJCBHBCPBHKRNU-QZWWFDLISA-N 1 3 345.478 2.528 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109360904 1274192261 /nfs/dbraw/zinc/19/22/61/1274192261.db2.gz HJCBHBCPBHKRNU-NCOADZHNSA-N 1 3 345.478 2.528 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109360904 1274192267 /nfs/dbraw/zinc/19/22/67/1274192267.db2.gz HJCBHBCPBHKRNU-NCOADZHNSA-N 1 3 345.478 2.528 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109371797 1274200623 /nfs/dbraw/zinc/20/06/23/1274200623.db2.gz VMHPBODUHYHDGY-OWSLCNJRSA-N 1 3 339.499 2.722 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109371797 1274200632 /nfs/dbraw/zinc/20/06/32/1274200632.db2.gz VMHPBODUHYHDGY-OWSLCNJRSA-N 1 3 339.499 2.722 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)N(C)C ZINC001109428286 1274263916 /nfs/dbraw/zinc/26/39/16/1274263916.db2.gz XSBGLGPVPUOENT-XWSJACJDSA-N 1 3 333.520 2.795 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)N(C)C ZINC001109428286 1274263923 /nfs/dbraw/zinc/26/39/23/1274263923.db2.gz XSBGLGPVPUOENT-XWSJACJDSA-N 1 3 333.520 2.795 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)C1CC1 ZINC001035720165 1274405793 /nfs/dbraw/zinc/40/57/93/1274405793.db2.gz HCDIYTCFRUVZJL-GOSISDBHSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CC4CCCC4)C3)CC2)CCC1 ZINC001035720708 1274405823 /nfs/dbraw/zinc/40/58/23/1274405823.db2.gz NCCVFRGPIBFXPG-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)C1CC1 ZINC001035721471 1274407424 /nfs/dbraw/zinc/40/74/24/1274407424.db2.gz WOGUKVLWWBJPET-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035721278 1274407794 /nfs/dbraw/zinc/40/77/94/1274407794.db2.gz TUHJJGJFQGPGCO-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC001035723926 1274410928 /nfs/dbraw/zinc/41/09/28/1274410928.db2.gz NHPYRXIPMLSIEG-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)N(C)C ZINC001035726600 1274414522 /nfs/dbraw/zinc/41/45/22/1274414522.db2.gz FAGJBLREYOBJNK-SFHVURJKSA-N 1 3 349.563 2.933 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035732610 1274422778 /nfs/dbraw/zinc/42/27/78/1274422778.db2.gz GXFYOIJWKWIPFA-LJQANCHMSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1)[NH+](C)C ZINC001035787364 1274481372 /nfs/dbraw/zinc/48/13/72/1274481372.db2.gz NZZVSRWBCCDAFN-LJQANCHMSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CCCCC4)C3)CC2)C1 ZINC001035798448 1274496276 /nfs/dbraw/zinc/49/62/76/1274496276.db2.gz NGVSLDGMHMIORP-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)cc1 ZINC001109648994 1274515846 /nfs/dbraw/zinc/51/58/46/1274515846.db2.gz NASLHIGMOLTAQE-QYZOEREBSA-N 1 3 341.499 2.558 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001035851394 1274558552 /nfs/dbraw/zinc/55/85/52/1274558552.db2.gz MOTFTGCZWFXOOI-UHFFFAOYSA-N 1 3 345.531 2.897 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001035851374 1274558675 /nfs/dbraw/zinc/55/86/75/1274558675.db2.gz LUNQLTXLVBABNT-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[NH+](CCCF)C3)CC2)c1 ZINC001035856832 1274604185 /nfs/dbraw/zinc/60/41/85/1274604185.db2.gz VJXNGEHDKLGKPK-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CCC3CC3)C2)CC1 ZINC001035856766 1274604680 /nfs/dbraw/zinc/60/46/80/1274604680.db2.gz CDSPKLIBEPZPBU-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001035857270 1274606369 /nfs/dbraw/zinc/60/63/69/1274606369.db2.gz LAUGELYLUOXEDS-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035858120 1274610310 /nfs/dbraw/zinc/61/03/10/1274610310.db2.gz GXDHHCFCPYHPRL-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036031717 1274906533 /nfs/dbraw/zinc/90/65/33/1274906533.db2.gz XNILIYPIPGBYKA-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001036053215 1274977696 /nfs/dbraw/zinc/97/76/96/1274977696.db2.gz DVKGOQBYOOARLK-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001036055441 1274981225 /nfs/dbraw/zinc/98/12/25/1274981225.db2.gz PCEMZRYZLXINEZ-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001036055068 1274981476 /nfs/dbraw/zinc/98/14/76/1274981476.db2.gz NGCGBHPUWTXNCJ-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001036055998 1274982122 /nfs/dbraw/zinc/98/21/22/1274982122.db2.gz SLZZVEISQATKKT-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036056000 1274982451 /nfs/dbraw/zinc/98/24/51/1274982451.db2.gz SLZZVEISQATKKT-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001036056908 1274984168 /nfs/dbraw/zinc/98/41/68/1274984168.db2.gz WROYQAUBHPTJCP-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036059215 1274986828 /nfs/dbraw/zinc/98/68/28/1274986828.db2.gz DEEXNQDSCJGFSB-QFBILLFUSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036064120 1274993670 /nfs/dbraw/zinc/99/36/70/1274993670.db2.gz LPUHQIMQIPLUOE-YOEHRIQHSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036063411 1274994416 /nfs/dbraw/zinc/99/44/16/1274994416.db2.gz QJONAUXGEZKYJN-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001036064106 1274994739 /nfs/dbraw/zinc/99/47/39/1274994739.db2.gz LOWJYZXCSVHIDM-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036064166 1274994795 /nfs/dbraw/zinc/99/47/95/1274994795.db2.gz MGYBYRSEIKYGNW-CRAIPNDOSA-N 1 3 335.536 2.734 20 0 EFADHO O[C@@H](CN1CCC2(CCc3ccccc3C2)CC1)C[NH+]1CCCC1 ZINC000844350750 1278920462 /nfs/dbraw/zinc/92/04/62/1278920462.db2.gz GYYFIJPMXVQUMU-HXUWFJFHSA-N 1 3 328.500 2.714 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)c1 ZINC001036197126 1275209843 /nfs/dbraw/zinc/20/98/43/1275209843.db2.gz DJQKPKLIVVQQFD-LPHOPBHVSA-N 1 3 340.471 2.596 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001112567781 1275220599 /nfs/dbraw/zinc/22/05/99/1275220599.db2.gz HWTPWANLNFUYOZ-RXVVDRJESA-N 1 3 349.563 2.983 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112568091 1275221388 /nfs/dbraw/zinc/22/13/88/1275221388.db2.gz XTDOOTJHZKOHPW-AQIYZVDXSA-N 1 3 335.536 2.903 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC001036206176 1275224392 /nfs/dbraw/zinc/22/43/92/1275224392.db2.gz PLLYQWXAYJSFRL-SUMWQHHRSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1C ZINC001036207606 1275227207 /nfs/dbraw/zinc/22/72/07/1275227207.db2.gz UEZIHHJFPSZWKI-VQIMIIECSA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001112585617 1275309947 /nfs/dbraw/zinc/30/99/47/1275309947.db2.gz IPIAOSUKOIZHMF-HKUYNNGSSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC1 ZINC000786784158 1275527722 /nfs/dbraw/zinc/52/77/22/1275527722.db2.gz AOCAPMNUACCMAJ-MRXNPFEDSA-N 1 3 344.503 2.987 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786833707 1275536935 /nfs/dbraw/zinc/53/69/35/1275536935.db2.gz ZLKBQZQXWUGOFY-IAGOWNOFSA-N 1 3 344.503 2.987 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036414413 1275560775 /nfs/dbraw/zinc/56/07/75/1275560775.db2.gz OCLPHCJDBWIZNI-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448936 1275608474 /nfs/dbraw/zinc/60/84/74/1275608474.db2.gz CKQNWEOLPJRBMY-RDJZCZTQSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448614 1275608648 /nfs/dbraw/zinc/60/86/48/1275608648.db2.gz BYVPRSNKDFDEQV-HOCLYGCPSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cs1 ZINC001036449189 1275609998 /nfs/dbraw/zinc/60/99/98/1275609998.db2.gz FAWJGVFOEYKJJQ-GOEBONIOSA-N 1 3 346.500 2.739 20 0 EFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)cc(Cl)c1 ZINC000787036345 1275623076 /nfs/dbraw/zinc/62/30/76/1275623076.db2.gz PSJQUXLZWBKEAL-QGZVFWFLSA-N 1 3 326.843 2.977 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)cc(Cl)c1 ZINC000787036342 1275623176 /nfs/dbraw/zinc/62/31/76/1275623176.db2.gz PSJQUXLZWBKEAL-KRWDZBQOSA-N 1 3 326.843 2.977 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001036450927 1275733208 /nfs/dbraw/zinc/73/32/08/1275733208.db2.gz QFRFYQWWCYEWFC-AEFFLSMTSA-N 1 3 340.471 2.678 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001086558207 1275849021 /nfs/dbraw/zinc/84/90/21/1275849021.db2.gz WPWKPTDSPRZYFU-JEPYTBJQSA-N 1 3 343.515 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCC3CC3)C2)c1 ZINC001086557881 1275849487 /nfs/dbraw/zinc/84/94/87/1275849487.db2.gz JOTQFZPHPPBWCE-UAPYVXQJSA-N 1 3 329.488 2.646 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000788470191 1276186813 /nfs/dbraw/zinc/18/68/13/1276186813.db2.gz NCSAHDOZBJLXFN-UHFFFAOYSA-N 1 3 339.886 2.939 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135975988 1276273680 /nfs/dbraw/zinc/27/36/80/1276273680.db2.gz FWOOJNZZFVUEIK-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1CC ZINC001135975845 1276274712 /nfs/dbraw/zinc/27/47/12/1276274712.db2.gz DKFZVMBGNNFCPW-SJORKVTESA-N 1 3 333.520 2.964 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001136031860 1276340021 /nfs/dbraw/zinc/34/00/21/1276340021.db2.gz RLPCSBVDFIJZFN-HZPDHXFCSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001136031820 1276340138 /nfs/dbraw/zinc/34/01/38/1276340138.db2.gz QWZKJFIEGPFNPL-QWHCGFSZSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001136032218 1276341240 /nfs/dbraw/zinc/34/12/40/1276341240.db2.gz XQPITSKFEKUNEG-NEPJUHHUSA-N 1 3 348.413 2.866 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001136031944 1276341459 /nfs/dbraw/zinc/34/14/59/1276341459.db2.gz TZKSNAOBIVTRBP-RYUDHWBXSA-N 1 3 334.489 2.704 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1C ZINC001136032057 1276341562 /nfs/dbraw/zinc/34/15/62/1276341562.db2.gz VHEPMQFZNXRGEI-LSDHHAIUSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001136032372 1276341580 /nfs/dbraw/zinc/34/15/80/1276341580.db2.gz ZXRWEHAVYSLGBR-UONOGXRCSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001136032267 1276341923 /nfs/dbraw/zinc/34/19/23/1276341923.db2.gz YEDLDUOZNUSBEU-KGLIPLIRSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001136032371 1276342059 /nfs/dbraw/zinc/34/20/59/1276342059.db2.gz ZXRWEHAVYSLGBR-KGLIPLIRSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1nccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)cn1 ZINC000817888098 1276348107 /nfs/dbraw/zinc/34/81/07/1276348107.db2.gz ANIRSJKEOICPKA-DNVCBOLYSA-N 1 3 335.455 2.624 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831252 1276348857 /nfs/dbraw/zinc/34/88/57/1276348857.db2.gz PONYMVYQLXDXNE-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831252 1276348859 /nfs/dbraw/zinc/34/88/59/1276348859.db2.gz PONYMVYQLXDXNE-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831384 1276349565 /nfs/dbraw/zinc/34/95/65/1276349565.db2.gz WZVGGPOQKZTOAV-BGYRXZFFSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)CC[C@@H]2C1 ZINC000946831384 1276349571 /nfs/dbraw/zinc/34/95/71/1276349571.db2.gz WZVGGPOQKZTOAV-BGYRXZFFSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000817897750 1276365660 /nfs/dbraw/zinc/36/56/60/1276365660.db2.gz WSHSJIJCCDTTGL-OYNPSCLESA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCCN1 ZINC000817896981 1276366547 /nfs/dbraw/zinc/36/65/47/1276366547.db2.gz AVRUGPPCGSWQHK-OXJNMPFZSA-N 1 3 330.520 2.842 20 0 EFADHO C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817896981 1276366550 /nfs/dbraw/zinc/36/65/50/1276366550.db2.gz AVRUGPPCGSWQHK-OXJNMPFZSA-N 1 3 330.520 2.842 20 0 EFADHO O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817900325 1276366668 /nfs/dbraw/zinc/36/66/68/1276366668.db2.gz ODXHVWAUXNYYBM-NLWGTHIKSA-N 1 3 342.414 2.705 20 0 EFADHO O[C@@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817926588 1276379007 /nfs/dbraw/zinc/37/90/07/1276379007.db2.gz ODXHVWAUXNYYBM-CMKODMSKSA-N 1 3 342.414 2.705 20 0 EFADHO O[C@@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817926589 1276379522 /nfs/dbraw/zinc/37/95/22/1276379522.db2.gz ODXHVWAUXNYYBM-HBFSDRIKSA-N 1 3 342.414 2.705 20 0 EFADHO O[C@@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000817926587 1276379663 /nfs/dbraw/zinc/37/96/63/1276379663.db2.gz ODXHVWAUXNYYBM-BJLQDIEVSA-N 1 3 342.414 2.705 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H](NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000817949054 1276396435 /nfs/dbraw/zinc/39/64/35/1276396435.db2.gz GUDFBCKOLLANRI-IRXDYDNUSA-N 1 3 331.460 2.772 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H](C[NH3+])C1CCCCC1 ZINC000817959502 1276400168 /nfs/dbraw/zinc/40/01/68/1276400168.db2.gz SCUPVZQPFDYSLQ-IUODEOHRSA-N 1 3 338.883 2.949 20 0 EFADHO CCOc1cccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972948 1276414258 /nfs/dbraw/zinc/41/42/58/1276414258.db2.gz QIDXBGDVSAXCRS-XJKSGUPXSA-N 1 3 345.409 2.572 20 0 EFADHO COCC1(CN[C@@H](C)c2nc(Br)cs2)CC[NH2+]CC1 ZINC000817975584 1276415950 /nfs/dbraw/zinc/41/59/50/1276415950.db2.gz WTRQCGLUELJNOU-JTQLQIEISA-N 1 3 348.310 2.572 20 0 EFADHO Cc1nn(C)c2nc(Cl)c(CN3CC4(C[C@H]3C)CC[NH2+]CC4)cc12 ZINC000818431940 1276516099 /nfs/dbraw/zinc/51/60/99/1276516099.db2.gz XELUDJKTAFQPSY-GFCCVEGCSA-N 1 3 347.894 2.894 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)[C@@H]1C)N(C)C ZINC001178985534 1289013638 /nfs/dbraw/zinc/01/36/38/1289013638.db2.gz NIYJLJKEYRSDIY-YSIASYRMSA-N 1 3 345.531 2.847 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(F)c(Br)c2)CC[N@@H+]1C ZINC000819105985 1276610293 /nfs/dbraw/zinc/61/02/93/1276610293.db2.gz RERDMCHWCAGUDC-IXPVHAAZSA-N 1 3 345.256 2.694 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(F)c(Br)c2)CC[N@H+]1C ZINC000819105985 1276610301 /nfs/dbraw/zinc/61/03/01/1276610301.db2.gz RERDMCHWCAGUDC-IXPVHAAZSA-N 1 3 345.256 2.694 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819134230 1276623073 /nfs/dbraw/zinc/62/30/73/1276623073.db2.gz ZPMXCKOORLWSAE-ARFHVFGLSA-N 1 3 341.293 2.945 20 0 EFADHO CNC(=O)c1ccc(CN[C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000820806731 1277314409 /nfs/dbraw/zinc/31/44/09/1277314409.db2.gz PSJXAHFOEZXTSZ-HNNXBMFYSA-N 1 3 325.456 2.959 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(Cc3ccsc3)CC2)C1 ZINC001005990465 1277317558 /nfs/dbraw/zinc/31/75/58/1277317558.db2.gz HFOZAVJNJJINDT-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(Cc3ccsc3)CC2)C1 ZINC001005990465 1277317568 /nfs/dbraw/zinc/31/75/68/1277317568.db2.gz HFOZAVJNJJINDT-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001005996705 1277373408 /nfs/dbraw/zinc/37/34/08/1277373408.db2.gz MABCDHKQMLIMIF-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005997931 1277382747 /nfs/dbraw/zinc/38/27/47/1277382747.db2.gz QRHVQAYUMNTSQE-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001005998942 1277400210 /nfs/dbraw/zinc/40/02/10/1277400210.db2.gz XACPTLZOOJMQSL-KSSFIOAISA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001005998942 1277400219 /nfs/dbraw/zinc/40/02/19/1277400219.db2.gz XACPTLZOOJMQSL-KSSFIOAISA-N 1 3 349.544 2.677 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001005999650 1277405571 /nfs/dbraw/zinc/40/55/71/1277405571.db2.gz CDDDGYRKGVVFJQ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000923287606 1277500341 /nfs/dbraw/zinc/50/03/41/1277500341.db2.gz RHMFMDNFGUTXFN-RBUKOAKNSA-N 1 3 336.439 2.556 20 0 EFADHO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000923287606 1277500349 /nfs/dbraw/zinc/50/03/49/1277500349.db2.gz RHMFMDNFGUTXFN-RBUKOAKNSA-N 1 3 336.439 2.556 20 0 EFADHO C[NH2+]C[C@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000923290440 1277505771 /nfs/dbraw/zinc/50/57/71/1277505771.db2.gz NLAMNHHIGCFCKF-IAGOWNOFSA-N 1 3 337.467 2.697 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000923299019 1277507644 /nfs/dbraw/zinc/50/76/44/1277507644.db2.gz HLUSTUHDEGHTLM-VQTJNVASSA-N 1 3 341.499 2.594 20 0 EFADHO O=C1O[C@]2(CN1CN1CCC[C@H]1C1CCCCC1)C[NH+]1CCC2CC1 ZINC000790371232 1277508477 /nfs/dbraw/zinc/50/84/77/1277508477.db2.gz WLUJJRXTUHDZSF-ICSRJNTNSA-N 1 3 347.503 2.905 20 0 EFADHO O=C1O[C@@]2(CN1CN1CCC[C@@H]1C1CCCCC1)C[NH+]1CCC2CC1 ZINC000790371236 1277509182 /nfs/dbraw/zinc/50/91/82/1277509182.db2.gz WLUJJRXTUHDZSF-UYAOXDASSA-N 1 3 347.503 2.905 20 0 EFADHO CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086587364 1277551626 /nfs/dbraw/zinc/55/16/26/1277551626.db2.gz QMZHFNIBKZWDBP-ZCNNSNEGSA-N 1 3 343.515 2.853 20 0 EFADHO CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086587364 1277551630 /nfs/dbraw/zinc/55/16/30/1277551630.db2.gz QMZHFNIBKZWDBP-ZCNNSNEGSA-N 1 3 343.515 2.853 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2)NC/C(Cl)=C/Cl ZINC001134857983 1287298666 /nfs/dbraw/zinc/29/86/66/1287298666.db2.gz MDTYSDZGGRLWEF-OFLZDLGMSA-N 1 3 348.318 2.807 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001175109122 1287312999 /nfs/dbraw/zinc/31/29/99/1287312999.db2.gz ZPQGSDLNGCIBGW-QZTJIDSGSA-N 1 3 343.556 2.654 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001091026447 1279351680 /nfs/dbraw/zinc/35/16/80/1279351680.db2.gz NNSDWATULQYGJW-MHJFOBGBSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001091026450 1279352120 /nfs/dbraw/zinc/35/21/20/1279352120.db2.gz NNSDWATULQYGJW-SOAGJPPSSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091026931 1279353772 /nfs/dbraw/zinc/35/37/72/1279353772.db2.gz SYMBFJPOIGEULC-NKELODKYSA-N 1 3 347.547 2.924 20 0 EFADHO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccnc3OC3CNC3)c2c1 ZINC001171166185 1279468680 /nfs/dbraw/zinc/46/86/80/1279468680.db2.gz AMWCBOBZKNGNPX-CQSZACIVSA-N 1 3 336.439 2.574 20 0 EFADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN(C)CC(C)(C)C ZINC001175296387 1287377551 /nfs/dbraw/zinc/37/75/51/1287377551.db2.gz NJOFCZXATCSTJZ-WKTRQSJXSA-N 1 3 331.932 2.981 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)CN2CCC[C@H]2C)c1 ZINC001175256900 1287381224 /nfs/dbraw/zinc/38/12/24/1287381224.db2.gz QFPKBVFIINIIHW-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256801 1287381247 /nfs/dbraw/zinc/38/12/47/1287381247.db2.gz PAAKHILQYHRYLR-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263029 1287384273 /nfs/dbraw/zinc/38/42/73/1287384273.db2.gz NHCYGPUMAMDCNS-QAPCUYQASA-N 1 3 329.504 2.872 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262148 1287384458 /nfs/dbraw/zinc/38/44/58/1287384458.db2.gz CBOUCFRQEAXYDI-OALUTQOASA-N 1 3 345.531 2.836 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263732 1287385633 /nfs/dbraw/zinc/38/56/33/1287385633.db2.gz QVLXURNFWQAZNJ-CABCVRRESA-N 1 3 345.478 2.638 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175265076 1287385774 /nfs/dbraw/zinc/38/57/74/1287385774.db2.gz XGLNCDCYYLJEMS-ROUUACIJSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@H](CCCC[NH2+]C/C=C\Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001175271369 1287387619 /nfs/dbraw/zinc/38/76/19/1287387619.db2.gz AIZUOAGMHNAFNZ-WUKHSURWSA-N 1 3 329.916 2.735 20 0 EFADHO [NH3+]CCCCCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000846219916 1280072637 /nfs/dbraw/zinc/07/26/37/1280072637.db2.gz BZYBQYZJAHHMJR-GOSISDBHSA-N 1 3 339.911 2.510 20 0 EFADHO [NH3+]CCCCCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000846219917 1280072743 /nfs/dbraw/zinc/07/27/43/1280072743.db2.gz BZYBQYZJAHHMJR-SFHVURJKSA-N 1 3 339.911 2.510 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001175307853 1287396579 /nfs/dbraw/zinc/39/65/79/1287396579.db2.gz YTAGZBIWHFYSET-ROUUACIJSA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001175316214 1287399318 /nfs/dbraw/zinc/39/93/18/1287399318.db2.gz JDCQWOKUJWHUKB-HIFRSBDPSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001175316604 1287399695 /nfs/dbraw/zinc/39/96/95/1287399695.db2.gz KHTAJCOXHFIHLW-STQMWFEESA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001175318383 1287401520 /nfs/dbraw/zinc/40/15/20/1287401520.db2.gz ZMBFINWEQLLSOB-APWZRJJASA-N 1 3 349.519 2.800 20 0 EFADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1F ZINC001129416428 1280182229 /nfs/dbraw/zinc/18/22/29/1280182229.db2.gz HQVCGWAWPFHNQH-BEFAXECRSA-N 1 3 347.478 3.000 20 0 EFADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1F ZINC001129416428 1280182235 /nfs/dbraw/zinc/18/22/35/1280182235.db2.gz HQVCGWAWPFHNQH-BEFAXECRSA-N 1 3 347.478 3.000 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129437032 1280200154 /nfs/dbraw/zinc/20/01/54/1280200154.db2.gz UXIGYVSVWJDSGU-HXUWFJFHSA-N 1 3 339.483 2.694 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001129435276 1280200618 /nfs/dbraw/zinc/20/06/18/1280200618.db2.gz DONQMRYHISPXQZ-SFHVURJKSA-N 1 3 331.504 2.530 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001129531750 1280234682 /nfs/dbraw/zinc/23/46/82/1280234682.db2.gz ISQMJVGVDNAUKK-KRWDZBQOSA-N 1 3 335.879 2.517 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CN(C)C2CCC2)c(C)c1C ZINC001129531730 1280234721 /nfs/dbraw/zinc/23/47/21/1280234721.db2.gz HVFBWLZVTIPMPO-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001171238271 1280333654 /nfs/dbraw/zinc/33/36/54/1280333654.db2.gz TVOROJJPZHFVEP-KRWDZBQOSA-N 1 3 331.504 2.936 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001129950277 1280378040 /nfs/dbraw/zinc/37/80/40/1280378040.db2.gz QFEJIZPRDOTGGH-IBGZPJMESA-N 1 3 327.472 2.632 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001129949516 1280378144 /nfs/dbraw/zinc/37/81/44/1280378144.db2.gz FCIAJYGADWDUMY-IBGZPJMESA-N 1 3 333.520 2.677 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001129947188 1280381657 /nfs/dbraw/zinc/38/16/57/1280381657.db2.gz NMGPEBXAGIBJIF-IBGZPJMESA-N 1 3 327.472 2.632 20 0 EFADHO [NH3+]CCOc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000846664712 1280382899 /nfs/dbraw/zinc/38/28/99/1280382899.db2.gz AMWVZIAZDXCBKG-ZIAGYGMSSA-N 1 3 346.349 2.710 20 0 EFADHO C[C@H](NC1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000846697526 1280426457 /nfs/dbraw/zinc/42/64/57/1280426457.db2.gz SBHBJDXMQILOJD-AWEZNQCLSA-N 1 3 333.501 2.954 20 0 EFADHO C[C@@H](CCCC[NH2+]CCc1ccccc1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248639 1280441900 /nfs/dbraw/zinc/44/19/00/1280441900.db2.gz WWAQORZDGAEXAA-FXAWDEMLSA-N 1 3 345.531 2.834 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248404 1280442251 /nfs/dbraw/zinc/44/22/51/1280442251.db2.gz UNXQBFFTPCZYMC-DNVCBOLYSA-N 1 3 349.494 2.931 20 0 EFADHO COc1cccc(C[C@H](N)C(=O)NCC[PH+](C(C)C)C(C)C)c1 ZINC001144942761 1280499812 /nfs/dbraw/zinc/49/98/12/1280499812.db2.gz APUBEBYPNCXAHM-KRWDZBQOSA-N 1 3 338.432 2.980 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)C12CCC[NH+](CCC1)C2 ZINC001130170390 1280545953 /nfs/dbraw/zinc/54/59/53/1280545953.db2.gz YMXVYCKMCSOICT-UHFFFAOYSA-N 1 3 341.455 2.515 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186488 1280554222 /nfs/dbraw/zinc/55/42/22/1280554222.db2.gz HNQKTEJPTBSCRM-AEFFLSMTSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186488 1280554228 /nfs/dbraw/zinc/55/42/28/1280554228.db2.gz HNQKTEJPTBSCRM-AEFFLSMTSA-N 1 3 341.455 2.656 20 0 EFADHO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000872138740 1287441835 /nfs/dbraw/zinc/44/18/35/1287441835.db2.gz YANGLVFMFZBHCC-XOBRGWDASA-N 1 3 348.487 2.590 20 0 EFADHO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[C@@H](C(F)(F)F)O1 ZINC000872154692 1287450011 /nfs/dbraw/zinc/45/00/11/1287450011.db2.gz WGZZJGLLWRNJGS-WBMJQRKESA-N 1 3 328.378 2.874 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001130419248 1280880361 /nfs/dbraw/zinc/88/03/61/1280880361.db2.gz RCILLXCMCAQAKY-UHFFFAOYSA-N 1 3 327.472 2.776 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(Cl)cc1C ZINC001130419169 1280880884 /nfs/dbraw/zinc/88/08/84/1280880884.db2.gz NKNRLIPTMZFURQ-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CC(C)OCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001146583678 1280940622 /nfs/dbraw/zinc/94/06/22/1280940622.db2.gz NNBVDXDLUFVJJG-IRXDYDNUSA-N 1 3 349.519 2.660 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001146590877 1280944936 /nfs/dbraw/zinc/94/49/36/1280944936.db2.gz CQKSZAMGNGFDTM-HZPDHXFCSA-N 1 3 339.549 2.894 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001146592328 1280945827 /nfs/dbraw/zinc/94/58/27/1280945827.db2.gz JPCMREBIZBHQDJ-KGLIPLIRSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001146590933 1280946254 /nfs/dbraw/zinc/94/62/54/1280946254.db2.gz DVJTVKPOGUTEBL-HZPDHXFCSA-N 1 3 337.483 2.581 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001146600054 1280947673 /nfs/dbraw/zinc/94/76/73/1280947673.db2.gz FBUAUZIEPSLPTN-ZWKOTPCHSA-N 1 3 333.520 2.832 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001146599626 1280947725 /nfs/dbraw/zinc/94/77/25/1280947725.db2.gz CMPXKWUOBPDKMT-LSDHHAIUSA-N 1 3 325.522 2.504 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146595126 1280948225 /nfs/dbraw/zinc/94/82/25/1280948225.db2.gz XGXFKQJCIRCRSW-HOTGVXAUSA-N 1 3 337.483 2.847 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1C ZINC001146600373 1280949508 /nfs/dbraw/zinc/94/95/08/1280949508.db2.gz GMXBYUXHRWQMFA-HZPDHXFCSA-N 1 3 349.519 2.717 20 0 EFADHO Cc1ccccc1OCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146601173 1280950033 /nfs/dbraw/zinc/95/00/33/1280950033.db2.gz KUVIWXDODBHQKW-ZWKOTPCHSA-N 1 3 349.519 2.587 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC1CCCC1)C2 ZINC001147810738 1281274855 /nfs/dbraw/zinc/27/48/55/1281274855.db2.gz NAOUBVPRBVYYEY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001147810738 1281274861 /nfs/dbraw/zinc/27/48/61/1281274861.db2.gz NAOUBVPRBVYYEY-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCC(CC[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000872223583 1287485937 /nfs/dbraw/zinc/48/59/37/1287485937.db2.gz UJZIDBRHWXIQJK-UHFFFAOYSA-N 1 3 338.517 2.560 20 0 EFADHO CC(C)[NH+]1CCC(CCNCCS(=O)(=O)c2ccccc2)CC1 ZINC000872223583 1287485941 /nfs/dbraw/zinc/48/59/41/1287485941.db2.gz UJZIDBRHWXIQJK-UHFFFAOYSA-N 1 3 338.517 2.560 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CCCCC1)C2 ZINC001147819859 1281303502 /nfs/dbraw/zinc/30/35/02/1281303502.db2.gz ONBUUKFWDBMLPS-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001147819859 1281303511 /nfs/dbraw/zinc/30/35/11/1281303511.db2.gz ONBUUKFWDBMLPS-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCc2cc(Cl)cc(Cl)c2)C1 ZINC001147886468 1281322730 /nfs/dbraw/zinc/32/27/30/1281322730.db2.gz WZCAQGYTYQNEMD-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCc2cc(Cl)cc(Cl)c2)C1 ZINC001147886468 1281322740 /nfs/dbraw/zinc/32/27/40/1281322740.db2.gz WZCAQGYTYQNEMD-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673111 1281416336 /nfs/dbraw/zinc/41/63/36/1281416336.db2.gz ZLFSBWIPKMUPEN-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCC1 ZINC001091673111 1281416341 /nfs/dbraw/zinc/41/63/41/1281416341.db2.gz ZLFSBWIPKMUPEN-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292314 1281497088 /nfs/dbraw/zinc/49/70/88/1281497088.db2.gz IRAKMTFMCJYUGJ-QZTJIDSGSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292314 1281497092 /nfs/dbraw/zinc/49/70/92/1281497092.db2.gz IRAKMTFMCJYUGJ-QZTJIDSGSA-N 1 3 335.536 2.545 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001148457828 1281557385 /nfs/dbraw/zinc/55/73/85/1281557385.db2.gz BPWULSFXEYUPOI-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001148457828 1281557388 /nfs/dbraw/zinc/55/73/88/1281557388.db2.gz BPWULSFXEYUPOI-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCc1ccccc1C[N@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148462483 1281560864 /nfs/dbraw/zinc/56/08/64/1281560864.db2.gz BCBQWVOITOPWTM-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCC2(CN(C(=O)CN(CC)CC)C2)C1 ZINC001148462483 1281560873 /nfs/dbraw/zinc/56/08/73/1281560873.db2.gz BCBQWVOITOPWTM-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCc1ccsc1)C2 ZINC001148469624 1281564166 /nfs/dbraw/zinc/56/41/66/1281564166.db2.gz PFCUPBBXFREEPI-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCc1ccsc1)C2 ZINC001148469624 1281564176 /nfs/dbraw/zinc/56/41/76/1281564176.db2.gz PFCUPBBXFREEPI-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)cc1C)C2 ZINC001148469707 1281564384 /nfs/dbraw/zinc/56/43/84/1281564384.db2.gz QXUMZRJSKTURFM-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1C)C2 ZINC001148469707 1281564390 /nfs/dbraw/zinc/56/43/90/1281564390.db2.gz QXUMZRJSKTURFM-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001148469384 1281564564 /nfs/dbraw/zinc/56/45/64/1281564564.db2.gz HZTZBCKBCQRHTM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001148469384 1281564570 /nfs/dbraw/zinc/56/45/70/1281564570.db2.gz HZTZBCKBCQRHTM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001148642101 1281667513 /nfs/dbraw/zinc/66/75/13/1281667513.db2.gz FDZTXRJJJNIPFB-UHFFFAOYSA-N 1 3 325.541 2.887 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C/C=C\c1ccccc1)C2 ZINC001148646973 1281669137 /nfs/dbraw/zinc/66/91/37/1281669137.db2.gz IJFKHFBKSVJTPM-YFHOEESVSA-N 1 3 341.499 2.576 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C\c1ccccc1)C2 ZINC001148646973 1281669148 /nfs/dbraw/zinc/66/91/48/1281669148.db2.gz IJFKHFBKSVJTPM-YFHOEESVSA-N 1 3 341.499 2.576 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC001148643235 1281669181 /nfs/dbraw/zinc/66/91/81/1281669181.db2.gz VTWMCJKIPBOYSU-MRXNPFEDSA-N 1 3 325.884 2.839 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001148642891 1281669701 /nfs/dbraw/zinc/66/97/01/1281669701.db2.gz PLXKASDKDXEPBQ-CYBMUJFWSA-N 1 3 345.409 2.814 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737383 1281684595 /nfs/dbraw/zinc/68/45/95/1281684595.db2.gz FDYDVYMTTJBFNJ-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091737383 1281684601 /nfs/dbraw/zinc/68/46/01/1281684601.db2.gz FDYDVYMTTJBFNJ-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738352 1281686888 /nfs/dbraw/zinc/68/68/88/1281686888.db2.gz UZXMHDMVSPPUMQ-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738352 1281686897 /nfs/dbraw/zinc/68/68/97/1281686897.db2.gz UZXMHDMVSPPUMQ-DYXWJJEUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091740820 1281694841 /nfs/dbraw/zinc/69/48/41/1281694841.db2.gz KKMURPVIVFAIAA-UTKZUKDTSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)C1CCC1 ZINC001091740820 1281694860 /nfs/dbraw/zinc/69/48/60/1281694860.db2.gz KKMURPVIVFAIAA-UTKZUKDTSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740741 1281695194 /nfs/dbraw/zinc/69/51/94/1281695194.db2.gz FYQCXRJAQZVEOK-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091740741 1281695200 /nfs/dbraw/zinc/69/52/00/1281695200.db2.gz FYQCXRJAQZVEOK-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148833815 1281760639 /nfs/dbraw/zinc/76/06/39/1281760639.db2.gz LSJIYIWWWBNNJO-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001148833815 1281760643 /nfs/dbraw/zinc/76/06/43/1281760643.db2.gz LSJIYIWWWBNNJO-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148811572 1281768850 /nfs/dbraw/zinc/76/88/50/1281768850.db2.gz DPPKALAPVPHINM-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148811572 1281768858 /nfs/dbraw/zinc/76/88/58/1281768858.db2.gz DPPKALAPVPHINM-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCN(Cc2ccc(NC[C@@H]3CCCC[NH2+]3)c(F)c2)CC1 ZINC001171339059 1281770246 /nfs/dbraw/zinc/77/02/46/1281770246.db2.gz IFHXODCVPNHUMB-SFHVURJKSA-N 1 3 348.510 2.906 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCCc1ccsc1)C2 ZINC001148839565 1281780077 /nfs/dbraw/zinc/78/00/77/1281780077.db2.gz RFINMZGNAHCEDG-UHFFFAOYSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCc1ccsc1)C2 ZINC001148839565 1281780083 /nfs/dbraw/zinc/78/00/83/1281780083.db2.gz RFINMZGNAHCEDG-UHFFFAOYSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCc3ccccc31)C2 ZINC001148843920 1281781789 /nfs/dbraw/zinc/78/17/89/1281781789.db2.gz KFYVACVCYVIRQF-IBGZPJMESA-N 1 3 341.499 2.548 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCc3ccccc31)C2 ZINC001148843920 1281781801 /nfs/dbraw/zinc/78/18/01/1281781801.db2.gz KFYVACVCYVIRQF-IBGZPJMESA-N 1 3 341.499 2.548 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808764232 1281885398 /nfs/dbraw/zinc/88/53/98/1281885398.db2.gz WEYAVLZRMWFJKE-SJLPKXTDSA-N 1 3 341.455 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCCOC ZINC001175738089 1287533564 /nfs/dbraw/zinc/53/35/64/1287533564.db2.gz FYFNJAIXDKGMLV-SFHVURJKSA-N 1 3 343.556 2.800 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCN3C)C2)CC1 ZINC001086907849 1281907951 /nfs/dbraw/zinc/90/79/51/1281907951.db2.gz DRFANVQIFDHZQO-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CC1CC1)CC2 ZINC001086927048 1281949849 /nfs/dbraw/zinc/94/98/49/1281949849.db2.gz QVAQBCJCGIFCBF-INIZCTEOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CC1CC1)CC2 ZINC001086927049 1281949954 /nfs/dbraw/zinc/94/99/54/1281949954.db2.gz QVAQBCJCGIFCBF-MRXNPFEDSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941323 1281969804 /nfs/dbraw/zinc/96/98/04/1281969804.db2.gz QNQDQPKNLXDOTI-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN1CCC(C)(C)C1)CC[NH+](CC1CC1)CC2 ZINC001086941500 1281970200 /nfs/dbraw/zinc/97/02/00/1281970200.db2.gz VRXPSSWKNHXPPA-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942145 1281971634 /nfs/dbraw/zinc/97/16/34/1281971634.db2.gz KBCJFEJRPFSWQQ-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945492 1281979157 /nfs/dbraw/zinc/97/91/57/1281979157.db2.gz CMBKIILJCKURQB-HOTGVXAUSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086945493 1281979914 /nfs/dbraw/zinc/97/99/14/1281979914.db2.gz CMBKIILJCKURQB-HZPDHXFCSA-N 1 3 332.492 2.701 20 0 EFADHO C[C@H](Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)[C@@H]1CNCCO1 ZINC001170571009 1282042003 /nfs/dbraw/zinc/04/20/03/1282042003.db2.gz XJRFLCGRNSTANO-YWZLYKJASA-N 1 3 342.487 2.595 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001175766717 1287546819 /nfs/dbraw/zinc/54/68/19/1287546819.db2.gz AARXSIQJJHDETK-ODUNQGDFSA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091782728 1282149555 /nfs/dbraw/zinc/14/95/55/1282149555.db2.gz BFVYCUJBJFQLBV-GGPKGHCWSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001091782728 1282149560 /nfs/dbraw/zinc/14/95/60/1282149560.db2.gz BFVYCUJBJFQLBV-GGPKGHCWSA-N 1 3 347.547 2.687 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001175787849 1287552519 /nfs/dbraw/zinc/55/25/19/1287552519.db2.gz YGYRZWATTGEQCJ-GOSISDBHSA-N 1 3 349.519 2.672 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985957 1282283484 /nfs/dbraw/zinc/28/34/84/1282283484.db2.gz PBMIADXDTNLLSA-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985957 1282283491 /nfs/dbraw/zinc/28/34/91/1282283491.db2.gz PBMIADXDTNLLSA-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091986047 1282283993 /nfs/dbraw/zinc/28/39/93/1282283993.db2.gz RYCIVCHYSSXOMK-LMMKCTJWSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091986047 1282284003 /nfs/dbraw/zinc/28/40/03/1282284003.db2.gz RYCIVCHYSSXOMK-LMMKCTJWSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000809616317 1282321074 /nfs/dbraw/zinc/32/10/74/1282321074.db2.gz NAZNFMYJPMEFRH-IRXDYDNUSA-N 1 3 344.455 2.670 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1 ZINC001092011170 1282337376 /nfs/dbraw/zinc/33/73/76/1282337376.db2.gz RRUYPYSKGTXLSX-DSKINZAPSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1 ZINC001092011170 1282337383 /nfs/dbraw/zinc/33/73/83/1282337383.db2.gz RRUYPYSKGTXLSX-DSKINZAPSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013494 1282338956 /nfs/dbraw/zinc/33/89/56/1282338956.db2.gz SPYXPFQJKDUQBC-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013494 1282338962 /nfs/dbraw/zinc/33/89/62/1282338962.db2.gz SPYXPFQJKDUQBC-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001092022142 1282342549 /nfs/dbraw/zinc/34/25/49/1282342549.db2.gz OXPHUUPVJDJFLH-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)N(C)C ZINC001092022142 1282342551 /nfs/dbraw/zinc/34/25/51/1282342551.db2.gz OXPHUUPVJDJFLH-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1ncc(C2OCCO2)s1 ZINC000809632507 1282350672 /nfs/dbraw/zinc/35/06/72/1282350672.db2.gz RMVBJPIGJZYZKF-ZDUSSCGKSA-N 1 3 327.494 2.789 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCC1CCCCC1)C2 ZINC001092052675 1282351803 /nfs/dbraw/zinc/35/18/03/1282351803.db2.gz NRGCCJYDFRTVKW-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCC1CCCCC1)C2 ZINC001092052675 1282351814 /nfs/dbraw/zinc/35/18/14/1282351814.db2.gz NRGCCJYDFRTVKW-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071020 1282366814 /nfs/dbraw/zinc/36/68/14/1282366814.db2.gz FBIUSHNSEMHQTA-GGPKGHCWSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071020 1282366825 /nfs/dbraw/zinc/36/68/25/1282366825.db2.gz FBIUSHNSEMHQTA-GGPKGHCWSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071318 1282369316 /nfs/dbraw/zinc/36/93/16/1282369316.db2.gz QKDWEPJTFGQRHR-GGPKGHCWSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071318 1282369322 /nfs/dbraw/zinc/36/93/22/1282369322.db2.gz QKDWEPJTFGQRHR-GGPKGHCWSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)C1(CC(=O)NCCNCc2cc3ccccc3o2)CCCC1 ZINC001131835220 1282425935 /nfs/dbraw/zinc/42/59/35/1282425935.db2.gz PCYAWEUMFNTIFW-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO CC(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480262 1282479062 /nfs/dbraw/zinc/47/90/62/1282479062.db2.gz KXWUCNOJZAZMBL-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001158480262 1282479065 /nfs/dbraw/zinc/47/90/65/1282479065.db2.gz KXWUCNOJZAZMBL-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300258 1282548443 /nfs/dbraw/zinc/54/84/43/1282548443.db2.gz UEYSTEXCIFJWRR-XLIONFOSSA-N 1 3 329.488 2.552 20 0 EFADHO CCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300258 1282548448 /nfs/dbraw/zinc/54/84/48/1282548448.db2.gz UEYSTEXCIFJWRR-XLIONFOSSA-N 1 3 329.488 2.552 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001092657986 1282915057 /nfs/dbraw/zinc/91/50/57/1282915057.db2.gz BFFFSPNIPBBSTC-NXHRZFHOSA-N 1 3 349.544 2.807 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001092657986 1282915072 /nfs/dbraw/zinc/91/50/72/1282915072.db2.gz BFFFSPNIPBBSTC-NXHRZFHOSA-N 1 3 349.544 2.807 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCOC)C1 ZINC001132152963 1283050563 /nfs/dbraw/zinc/05/05/63/1283050563.db2.gz LNSKKTSWGKVTSJ-SJORKVTESA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCCOC)C1 ZINC001132152963 1283050571 /nfs/dbraw/zinc/05/05/71/1283050571.db2.gz LNSKKTSWGKVTSJ-SJORKVTESA-N 1 3 341.540 2.503 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC001132153329 1283052982 /nfs/dbraw/zinc/05/29/82/1283052982.db2.gz QECNLYPKWZMNNH-DZGCQCFKSA-N 1 3 345.478 2.731 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC2CC(F)(F)C2)C1 ZINC001132153329 1283052992 /nfs/dbraw/zinc/05/29/92/1283052992.db2.gz QECNLYPKWZMNNH-DZGCQCFKSA-N 1 3 345.478 2.731 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc(Br)nc1 ZINC000810238368 1283090032 /nfs/dbraw/zinc/09/00/32/1283090032.db2.gz ZJRUJYHCNTXADH-CYBMUJFWSA-N 1 3 344.297 2.853 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)C1 ZINC001092906926 1283111671 /nfs/dbraw/zinc/11/16/71/1283111671.db2.gz MIMICGXMJOJBRF-GWRURKIASA-N 1 3 341.927 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)C1 ZINC001092906926 1283111675 /nfs/dbraw/zinc/11/16/75/1283111675.db2.gz MIMICGXMJOJBRF-GWRURKIASA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001093025066 1283165611 /nfs/dbraw/zinc/16/56/11/1283165611.db2.gz PNEVHDMPNUWVGD-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001093025066 1283165616 /nfs/dbraw/zinc/16/56/16/1283165616.db2.gz PNEVHDMPNUWVGD-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001093024739 1283166268 /nfs/dbraw/zinc/16/62/68/1283166268.db2.gz DCOXHIFKWLYQDQ-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001093024739 1283166274 /nfs/dbraw/zinc/16/62/74/1283166274.db2.gz DCOXHIFKWLYQDQ-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024859 1283166475 /nfs/dbraw/zinc/16/64/75/1283166475.db2.gz HEBDOOVSAQHPTF-QRVBRYPASA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093024859 1283166480 /nfs/dbraw/zinc/16/64/80/1283166480.db2.gz HEBDOOVSAQHPTF-QRVBRYPASA-N 1 3 335.536 2.900 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C)c1 ZINC001132265008 1283217472 /nfs/dbraw/zinc/21/74/72/1283217472.db2.gz GUMDBWOIRSTHKI-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266674 1283220950 /nfs/dbraw/zinc/22/09/50/1283220950.db2.gz YLZZALMPWVHVJC-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(Cl)c1CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283700 1283238576 /nfs/dbraw/zinc/23/85/76/1283238576.db2.gz DNCLKECYZGNQDN-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CC(C)(C(=O)NCCNCc1ccc(F)c(Cl)c1)[NH+]1CCCC1 ZINC001132284165 1283238678 /nfs/dbraw/zinc/23/86/78/1283238678.db2.gz ZAZWRUGJTKPSPK-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132273591 1283242430 /nfs/dbraw/zinc/24/24/30/1283242430.db2.gz HRGSJIVIEUEBAP-MAUKXSAKSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCCCC(F)(F)F ZINC001132274508 1283245652 /nfs/dbraw/zinc/24/56/52/1283245652.db2.gz VLQDSSPJLGKPQN-UONOGXRCSA-N 1 3 337.430 2.640 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)cc1C ZINC001132278922 1283251613 /nfs/dbraw/zinc/25/16/13/1283251613.db2.gz STFRVPULCBZJES-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735985 1283313573 /nfs/dbraw/zinc/31/35/73/1283313573.db2.gz TUGPATXWVOBSPZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735985 1283313587 /nfs/dbraw/zinc/31/35/87/1283313587.db2.gz TUGPATXWVOBSPZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736477 1283316601 /nfs/dbraw/zinc/31/66/01/1283316601.db2.gz AGCUIEBUELJMBV-QUCCMNQESA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736477 1283316608 /nfs/dbraw/zinc/31/66/08/1283316608.db2.gz AGCUIEBUELJMBV-QUCCMNQESA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737013 1283316985 /nfs/dbraw/zinc/31/69/85/1283316985.db2.gz KNDAGHQFRWWZEY-SJLPKXTDSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737013 1283316990 /nfs/dbraw/zinc/31/69/90/1283316990.db2.gz KNDAGHQFRWWZEY-SJLPKXTDSA-N 1 3 347.528 2.655 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660087 1283508549 /nfs/dbraw/zinc/50/85/49/1283508549.db2.gz JIXQPJFZIXARPB-APWZRJJASA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660087 1283508564 /nfs/dbraw/zinc/50/85/64/1283508564.db2.gz JIXQPJFZIXARPB-APWZRJJASA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660088 1283508936 /nfs/dbraw/zinc/50/89/36/1283508936.db2.gz JIXQPJFZIXARPB-LPHOPBHVSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660088 1283508947 /nfs/dbraw/zinc/50/89/47/1283508947.db2.gz JIXQPJFZIXARPB-LPHOPBHVSA-N 1 3 341.515 2.683 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410847 1283531888 /nfs/dbraw/zinc/53/18/88/1283531888.db2.gz PCCHBKUVYCAXPP-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410847 1283531897 /nfs/dbraw/zinc/53/18/97/1283531897.db2.gz PCCHBKUVYCAXPP-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CCCCOCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433371 1283567116 /nfs/dbraw/zinc/56/71/16/1283567116.db2.gz NEQYSOKGHNXFOO-MSOLQXFVSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C\Cl ZINC001176024853 1287661267 /nfs/dbraw/zinc/66/12/67/1287661267.db2.gz SPQCAZLXLZWACR-UQRISPGASA-N 1 3 338.323 2.912 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C\Cl ZINC001176024853 1287661270 /nfs/dbraw/zinc/66/12/70/1287661270.db2.gz SPQCAZLXLZWACR-UQRISPGASA-N 1 3 338.323 2.912 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093379123 1283836596 /nfs/dbraw/zinc/83/65/96/1283836596.db2.gz ZPGWPKFKZORTMZ-PXNSSMCTSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093379123 1283836602 /nfs/dbraw/zinc/83/66/02/1283836602.db2.gz ZPGWPKFKZORTMZ-PXNSSMCTSA-N 1 3 347.547 2.972 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)C1 ZINC001176057183 1287687418 /nfs/dbraw/zinc/68/74/18/1287687418.db2.gz MZQDBEKJJFSZKD-ZDUSSCGKSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)C1 ZINC001176057183 1287687427 /nfs/dbraw/zinc/68/74/27/1287687427.db2.gz MZQDBEKJJFSZKD-ZDUSSCGKSA-N 1 3 344.286 2.541 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001036829651 1284170728 /nfs/dbraw/zinc/17/07/28/1284170728.db2.gz IZAFKBLQWAVDQQ-HKUYNNGSSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001036829651 1284170734 /nfs/dbraw/zinc/17/07/34/1284170734.db2.gz IZAFKBLQWAVDQQ-HKUYNNGSSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001036830109 1284172500 /nfs/dbraw/zinc/17/25/00/1284172500.db2.gz POKNYUVRJFNMJX-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001036830109 1284172504 /nfs/dbraw/zinc/17/25/04/1284172504.db2.gz POKNYUVRJFNMJX-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176753325 1288119671 /nfs/dbraw/zinc/11/96/71/1288119671.db2.gz FZQOOUHTCPBSAP-CQSZACIVSA-N 1 3 333.467 2.637 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852815 1284327114 /nfs/dbraw/zinc/32/71/14/1284327114.db2.gz KDKZOHBYYPKQRZ-MOPGFXCFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036852815 1284327130 /nfs/dbraw/zinc/32/71/30/1284327130.db2.gz KDKZOHBYYPKQRZ-MOPGFXCFSA-N 1 3 333.520 2.607 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132887104 1284421382 /nfs/dbraw/zinc/42/13/82/1284421382.db2.gz BFQYSJFRWRLVNE-HQYUYXFKSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCCCCF ZINC001132887806 1284423603 /nfs/dbraw/zinc/42/36/03/1284423603.db2.gz IJBMWIDGJPSZGG-SJORKVTESA-N 1 3 341.515 2.685 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132893780 1284430027 /nfs/dbraw/zinc/43/00/27/1284430027.db2.gz SDAAWYKYMVEXJK-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001132937104 1284489040 /nfs/dbraw/zinc/48/90/40/1284489040.db2.gz GKQOXUOQNLFBGE-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001093821907 1284541913 /nfs/dbraw/zinc/54/19/13/1284541913.db2.gz ICENADOAWSDFIN-NSISKUIASA-N 1 3 343.515 2.519 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2C)[C@H](C)C1)N(C)C ZINC001093857491 1284572030 /nfs/dbraw/zinc/57/20/30/1284572030.db2.gz HWKVQYUJWNKIPA-SZVBFZGTSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1)N(C)C ZINC001093857737 1284572428 /nfs/dbraw/zinc/57/24/28/1284572428.db2.gz VAADQMTXMJGXII-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1)N(C)C ZINC001094020458 1284712000 /nfs/dbraw/zinc/71/20/00/1284712000.db2.gz CAHUIBWAYSXBGO-KBAYOESNSA-N 1 3 337.552 2.693 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001094040425 1284728636 /nfs/dbraw/zinc/72/86/36/1284728636.db2.gz IQRAUHXNKHRWFC-WSTZPKSXSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1)N(C)C ZINC001094049469 1284733346 /nfs/dbraw/zinc/73/33/46/1284733346.db2.gz VAADQMTXMJGXII-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001094074826 1284758796 /nfs/dbraw/zinc/75/87/96/1284758796.db2.gz NTBJHLHOWWDWHZ-IJEWVQPXSA-N 1 3 344.434 2.537 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001094074825 1284760013 /nfs/dbraw/zinc/76/00/13/1284760013.db2.gz NTBJHLHOWWDWHZ-IIAWOOMASA-N 1 3 344.434 2.537 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001133121220 1284832673 /nfs/dbraw/zinc/83/26/73/1284832673.db2.gz FGDIUPAVZXHNCQ-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001133122217 1284832879 /nfs/dbraw/zinc/83/28/79/1284832879.db2.gz OZFUVRKOMBQEIO-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133122437 1284833691 /nfs/dbraw/zinc/83/36/91/1284833691.db2.gz QRWATOHUJMVUOJ-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001133135691 1284851313 /nfs/dbraw/zinc/85/13/13/1284851313.db2.gz VMPINEDNRHSLRE-RDJZCZTQSA-N 1 3 332.492 2.607 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133176665 1284933819 /nfs/dbraw/zinc/93/38/19/1284933819.db2.gz AEFUCRXTWRPUQW-ZWKOTPCHSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133178428 1284936790 /nfs/dbraw/zinc/93/67/90/1284936790.db2.gz QTXODHSWVLDDLP-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133178201 1284936838 /nfs/dbraw/zinc/93/68/38/1284936838.db2.gz MKAAHBPPICADBS-WMZOPIPTSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133178121 1284936900 /nfs/dbraw/zinc/93/69/00/1284936900.db2.gz KYDHHGWZDSSDCW-SJORKVTESA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133178429 1284937589 /nfs/dbraw/zinc/93/75/89/1284937589.db2.gz QTXODHSWVLDDLP-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133181438 1284943444 /nfs/dbraw/zinc/94/34/44/1284943444.db2.gz BFQZXEIBJROEHH-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC)C1 ZINC001133185615 1284952005 /nfs/dbraw/zinc/95/20/05/1284952005.db2.gz GLKPZSGYJYIXNW-MSOLQXFVSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133190805 1284965263 /nfs/dbraw/zinc/96/52/63/1284965263.db2.gz IQQLVVMZAUPYNA-MJGOQNOKSA-N 1 3 335.536 2.903 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194627 1284972530 /nfs/dbraw/zinc/97/25/30/1284972530.db2.gz IEIKFRLHZAATSS-RBUKOAKNSA-N 1 3 335.536 2.759 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094430682 1285072985 /nfs/dbraw/zinc/07/29/85/1285072985.db2.gz VMDFGVHGZCKVIY-ZHALLVOQSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094430682 1285072990 /nfs/dbraw/zinc/07/29/90/1285072990.db2.gz VMDFGVHGZCKVIY-ZHALLVOQSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133275972 1285114600 /nfs/dbraw/zinc/11/46/00/1285114600.db2.gz YOQZCERTKPFTEW-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133275874 1285115905 /nfs/dbraw/zinc/11/59/05/1285115905.db2.gz XTVJMISFLUSHJX-MJGOQNOKSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133276111 1285117116 /nfs/dbraw/zinc/11/71/16/1285117116.db2.gz ZQKXPKHKOXSQLY-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@@H](NCCNC(=O)C1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC001133286046 1285123195 /nfs/dbraw/zinc/12/31/95/1285123195.db2.gz USANJDKTWUVFHS-GFCCVEGCSA-N 1 3 341.858 2.588 20 0 EFADHO C[NH+]1CCC(C(=O)NCCNC2c3ccccc3-c3ccccc32)CC1 ZINC001133287948 1285128265 /nfs/dbraw/zinc/12/82/65/1285128265.db2.gz QKANEWBGHLJKEQ-UHFFFAOYSA-N 1 3 349.478 2.804 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCC1 ZINC001110157964 1285152272 /nfs/dbraw/zinc/15/22/72/1285152272.db2.gz BWDSBFABBJTNIK-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCC1 ZINC001110157964 1285152277 /nfs/dbraw/zinc/15/22/77/1285152277.db2.gz BWDSBFABBJTNIK-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133345598 1285227316 /nfs/dbraw/zinc/22/73/16/1285227316.db2.gz FGIDTNPPJHTGFW-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345882 1285229705 /nfs/dbraw/zinc/22/97/05/1285229705.db2.gz ICVZWUFBRLKXRF-MSOLQXFVSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133347114 1285235011 /nfs/dbraw/zinc/23/50/11/1285235011.db2.gz SVRYSCAXWLTPIY-FUHWJXTLSA-N 1 3 349.494 2.740 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CCC[C@@H]1C ZINC001133403912 1285355395 /nfs/dbraw/zinc/35/53/95/1285355395.db2.gz PBTJKCVZCXJXDR-HNNXBMFYSA-N 1 3 337.895 2.762 20 0 EFADHO CC(C)[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001133405685 1285359835 /nfs/dbraw/zinc/35/98/35/1285359835.db2.gz LHKDEWDXGMNQFM-UHFFFAOYSA-N 1 3 334.851 2.632 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCF)C1 ZINC001036902343 1285382268 /nfs/dbraw/zinc/38/22/68/1285382268.db2.gz JHZJXCISSFJOGR-HKUYNNGSSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCF)C1 ZINC001036902343 1285382282 /nfs/dbraw/zinc/38/22/82/1285382282.db2.gz JHZJXCISSFJOGR-HKUYNNGSSA-N 1 3 347.478 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902270 1285382405 /nfs/dbraw/zinc/38/24/05/1285382405.db2.gz IEHMJVDZZHCMEI-PKOBYXMFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902270 1285382411 /nfs/dbraw/zinc/38/24/11/1285382411.db2.gz IEHMJVDZZHCMEI-PKOBYXMFSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCc1ccccc1Cl)N(C)C ZINC001133419700 1285383003 /nfs/dbraw/zinc/38/30/03/1285383003.db2.gz VFCIEHWPGQHERK-QGZVFWFLSA-N 1 3 339.911 2.565 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001036904597 1285393640 /nfs/dbraw/zinc/39/36/40/1285393640.db2.gz UUASCOSHVBDEFD-OCQNNJOQSA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834143 1285464505 /nfs/dbraw/zinc/46/45/05/1285464505.db2.gz LTIYRYCYANOQIN-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812834143 1285464510 /nfs/dbraw/zinc/46/45/10/1285464510.db2.gz LTIYRYCYANOQIN-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N1CCCC1 ZINC001110161945 1285481212 /nfs/dbraw/zinc/48/12/12/1285481212.db2.gz ZOOXRSQJYOHOMW-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N1CCCC1 ZINC001110161945 1285481220 /nfs/dbraw/zinc/48/12/20/1285481220.db2.gz ZOOXRSQJYOHOMW-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161851 1285506174 /nfs/dbraw/zinc/50/61/74/1285506174.db2.gz VTKOUFZXOQYXFB-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCCC1)C2 ZINC001110161851 1285506185 /nfs/dbraw/zinc/50/61/85/1285506185.db2.gz VTKOUFZXOQYXFB-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001171509007 1285615280 /nfs/dbraw/zinc/61/52/80/1285615280.db2.gz LEAUNQVLUKEWBN-AOSXOHOOSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1)N(C)C ZINC001171508825 1285615592 /nfs/dbraw/zinc/61/55/92/1285615592.db2.gz ITWGEDBALIXLKM-GOEBONIOSA-N 1 3 325.522 2.853 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171585737 1285636213 /nfs/dbraw/zinc/63/62/13/1285636213.db2.gz BUDVEJGZRHOMNT-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnccc1C ZINC001171585808 1285636347 /nfs/dbraw/zinc/63/63/47/1285636347.db2.gz DRDRCEHDJMEVJV-KRWDZBQOSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cncc(C)c1 ZINC001171586349 1285636514 /nfs/dbraw/zinc/63/65/14/1285636514.db2.gz MHTJPBWRRSEFAZ-QGZVFWFLSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001171586915 1285636746 /nfs/dbraw/zinc/63/67/46/1285636746.db2.gz VSMOCDIQMGNSMN-INIZCTEOSA-N 1 3 334.508 2.577 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ncccc1C ZINC001171586875 1285637897 /nfs/dbraw/zinc/63/78/97/1285637897.db2.gz UTMLQBOLPOFPFF-KRWDZBQOSA-N 1 3 348.535 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCOC1CCC1 ZINC001171586960 1285638181 /nfs/dbraw/zinc/63/81/81/1285638181.db2.gz WOEMYXMNJFVOAW-MRXNPFEDSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](N)C2)C[C@H]1C(C)(C)C ZINC001171587817 1285638467 /nfs/dbraw/zinc/63/84/67/1285638467.db2.gz YYLOUQFCYBBHIG-ILXRZTDVSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H](N)C2)C[C@H]1C(C)(C)C ZINC001171587817 1285638477 /nfs/dbraw/zinc/63/84/77/1285638477.db2.gz YYLOUQFCYBBHIG-ILXRZTDVSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593150 1285640610 /nfs/dbraw/zinc/64/06/10/1285640610.db2.gz KAVYHZMXWOMOJX-RBSFLKMASA-N 1 3 327.513 2.985 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171593147 1285640816 /nfs/dbraw/zinc/64/08/16/1285640816.db2.gz KAVYHZMXWOMOJX-ILXRZTDVSA-N 1 3 327.513 2.985 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171564190 1285650993 /nfs/dbraw/zinc/65/09/93/1285650993.db2.gz VBGSJCDTXISODO-QGZVFWFLSA-N 1 3 330.472 2.599 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@@H]2CCc3c(C)cccc3C2)CC1 ZINC001171564190 1285650997 /nfs/dbraw/zinc/65/09/97/1285650997.db2.gz VBGSJCDTXISODO-QGZVFWFLSA-N 1 3 330.472 2.599 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCCN(c3cnccn3)C2)CC1(C)C ZINC001171629682 1285661646 /nfs/dbraw/zinc/66/16/46/1285661646.db2.gz CAMYVNXIWKSJKD-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@H]2CCCN(c3cnccn3)C2)CC1(C)C ZINC001171629682 1285661653 /nfs/dbraw/zinc/66/16/53/1285661653.db2.gz CAMYVNXIWKSJKD-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCCN(c3ncccn3)C2)CC1(C)C ZINC001171630056 1285662924 /nfs/dbraw/zinc/66/29/24/1285662924.db2.gz GTIZFDJMNSIPPB-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1(C)C ZINC001171630056 1285662930 /nfs/dbraw/zinc/66/29/30/1285662930.db2.gz GTIZFDJMNSIPPB-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(C)(N3CCOCC3)CC2)CC1(C)C ZINC001171639396 1285716997 /nfs/dbraw/zinc/71/69/97/1285716997.db2.gz INGVCDHEAVVAPV-UHFFFAOYSA-N 1 3 337.552 2.825 20 0 EFADHO C[NH+]1C(C)(C)CC(N2CCC(Oc3ncccn3)CC2)CC1(C)C ZINC001171639343 1285717701 /nfs/dbraw/zinc/71/77/01/1285717701.db2.gz GOPFRSZBASLWPJ-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(Oc3ncccn3)CC2)CC1(C)C ZINC001171639343 1285717709 /nfs/dbraw/zinc/71/77/09/1285717709.db2.gz GOPFRSZBASLWPJ-UHFFFAOYSA-N 1 3 332.492 2.971 20 0 EFADHO Cc1cnc(O[C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171640268 1285718722 /nfs/dbraw/zinc/71/87/22/1285718722.db2.gz AADVKCRBPSZLFN-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1cnc(O[C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171640268 1285718727 /nfs/dbraw/zinc/71/87/27/1285718727.db2.gz AADVKCRBPSZLFN-INIZCTEOSA-N 1 3 332.492 2.890 20 0 EFADHO COCCCCN1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171641153 1285719278 /nfs/dbraw/zinc/71/92/78/1285719278.db2.gz NCOPAWNHKIKINC-UHFFFAOYSA-N 1 3 325.541 2.682 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340474914 1289025746 /nfs/dbraw/zinc/02/57/46/1289025746.db2.gz PYUYDBYPQRXAQT-ZSXDVEMLSA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340474914 1289025750 /nfs/dbraw/zinc/02/57/50/1289025750.db2.gz PYUYDBYPQRXAQT-ZSXDVEMLSA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@H](C)C2)[C@H](n2cncn2)C1 ZINC000340474914 1289025755 /nfs/dbraw/zinc/02/57/55/1289025755.db2.gz PYUYDBYPQRXAQT-ZSXDVEMLSA-N 1 3 333.524 2.965 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001171762608 1285769618 /nfs/dbraw/zinc/76/96/18/1285769618.db2.gz HVLYCZHXKJARKZ-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001171762801 1285769944 /nfs/dbraw/zinc/76/99/44/1285769944.db2.gz LQYBIKNZIBGKAW-GOSISDBHSA-N 1 3 331.504 2.544 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccc(C(C)C)nc1C)[NH+](CC)CC ZINC001133684717 1285778533 /nfs/dbraw/zinc/77/85/33/1285778533.db2.gz LWOISMVDJFRGPU-LJQANCHMSA-N 1 3 348.535 2.840 20 0 EFADHO CC[C@H](C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC001133689611 1285785923 /nfs/dbraw/zinc/78/59/23/1285785923.db2.gz APSWSOZFKNROPE-CXAGYDPISA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001165718989 1312669822 /nfs/dbraw/zinc/66/98/22/1312669822.db2.gz WALOWSZFVYWLQO-QGZVFWFLSA-N 1 3 335.467 2.542 20 0 EFADHO CCOC(=O)C1(C)CCC(N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001171948512 1285942904 /nfs/dbraw/zinc/94/29/04/1285942904.db2.gz MLXHOYHKQZWJDB-UHFFFAOYSA-N 1 3 331.460 2.716 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973418 1285957483 /nfs/dbraw/zinc/95/74/83/1285957483.db2.gz YXHVZCHRUFEHCO-BZSNNMDCSA-N 1 3 330.472 2.971 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973418 1285957491 /nfs/dbraw/zinc/95/74/91/1285957491.db2.gz YXHVZCHRUFEHCO-BZSNNMDCSA-N 1 3 330.472 2.971 20 0 EFADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984119 1285964296 /nfs/dbraw/zinc/96/42/96/1285964296.db2.gz IDCXAOZVMLUMAE-MSOLQXFVSA-N 1 3 329.488 2.769 20 0 EFADHO CC1(C)C[C@H]([N@H+]2CCCC[C@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984119 1285964302 /nfs/dbraw/zinc/96/43/02/1285964302.db2.gz IDCXAOZVMLUMAE-MSOLQXFVSA-N 1 3 329.488 2.769 20 0 EFADHO CN1C[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171987781 1285966281 /nfs/dbraw/zinc/96/62/81/1285966281.db2.gz JIKVQEGRXDICAI-HSALFYBXSA-N 1 3 327.516 2.923 20 0 EFADHO CN1C[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)C(C)(C)C3)C[C@@H]2C1 ZINC001171987781 1285966287 /nfs/dbraw/zinc/96/62/87/1285966287.db2.gz JIKVQEGRXDICAI-HSALFYBXSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001133819474 1285973503 /nfs/dbraw/zinc/97/35/03/1285973503.db2.gz CTELGVSOTQZRST-WLYUNCDWSA-N 1 3 349.441 2.545 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001133819445 1285973593 /nfs/dbraw/zinc/97/35/93/1285973593.db2.gz CAZLPRIHBGDLHY-SUMWQHHRSA-N 1 3 335.879 2.517 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001133819473 1285973892 /nfs/dbraw/zinc/97/38/92/1285973892.db2.gz CTELGVSOTQZRST-NFOMZHRRSA-N 1 3 349.441 2.545 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001133819550 1285974627 /nfs/dbraw/zinc/97/46/27/1285974627.db2.gz GLBBFWINQCZHSJ-MRXNPFEDSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001133819923 1285975258 /nfs/dbraw/zinc/97/52/58/1285975258.db2.gz RTFJNTFMTXRIEX-IJJSQOHJSA-N 1 3 335.879 2.543 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCc1ccc2ccccc2c1 ZINC001133823655 1285981093 /nfs/dbraw/zinc/98/10/93/1285981093.db2.gz LIMWVEPYEPMXKT-KRWDZBQOSA-N 1 3 339.483 2.572 20 0 EFADHO CCN(Cc1ccccc1)C1CC[NH+]([C@@H]2CCN(CC)C(=O)C2)CC1 ZINC001172044279 1285986389 /nfs/dbraw/zinc/98/63/89/1285986389.db2.gz TYHUKUFLOMGVFF-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CC[C@@H](N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CC1=O ZINC001172049660 1285989671 /nfs/dbraw/zinc/98/96/71/1285989671.db2.gz YGAJLYVEHCHSGN-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CC[C@@H](N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CC1=O ZINC001172049660 1285989676 /nfs/dbraw/zinc/98/96/76/1285989676.db2.gz YGAJLYVEHCHSGN-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001172080587 1285997961 /nfs/dbraw/zinc/99/79/61/1285997961.db2.gz VULYNXHVNPXTSG-YSTOQKLRSA-N 1 3 341.499 2.830 20 0 EFADHO O=C1CCC[C@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001172080587 1285997970 /nfs/dbraw/zinc/99/79/70/1285997970.db2.gz VULYNXHVNPXTSG-YSTOQKLRSA-N 1 3 341.499 2.830 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCN4CC[C@@H]4C2)C3)cc1 ZINC001172087768 1286001993 /nfs/dbraw/zinc/00/19/93/1286001993.db2.gz LQRASLIWKMMBOC-MHTWAQMVSA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](N2CCN4CC[C@@H]4C2)C3)cc1 ZINC001172087768 1286002003 /nfs/dbraw/zinc/00/20/03/1286002003.db2.gz LQRASLIWKMMBOC-MHTWAQMVSA-N 1 3 325.500 2.962 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001133824005 1286008831 /nfs/dbraw/zinc/00/88/31/1286008831.db2.gz VTTNDZYWPJGUJI-GFCCVEGCSA-N 1 3 344.286 2.684 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3ccc(Cl)cn3)CC1)C2 ZINC001172127390 1286011381 /nfs/dbraw/zinc/01/13/81/1286011381.db2.gz IXZGKLBUFXUPCS-FVQHAEBGSA-N 1 3 334.895 2.872 20 0 EFADHO CCOc1cccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)n1 ZINC001172127147 1286011450 /nfs/dbraw/zinc/01/14/50/1286011450.db2.gz HDEUPJJMHZRWCL-BCDXTJNWSA-N 1 3 344.503 2.618 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC001165718453 1312669891 /nfs/dbraw/zinc/66/98/91/1312669891.db2.gz KRLREDXWWYYAEK-RBUKOAKNSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001172132786 1286015944 /nfs/dbraw/zinc/01/59/44/1286015944.db2.gz NZIRCRYNLAURLF-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001172132786 1286015947 /nfs/dbraw/zinc/01/59/47/1286015947.db2.gz NZIRCRYNLAURLF-MHORFTMASA-N 1 3 330.476 2.644 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001133845824 1286023549 /nfs/dbraw/zinc/02/35/49/1286023549.db2.gz OCTIQZRCJDBWAM-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001133845402 1286024058 /nfs/dbraw/zinc/02/40/58/1286024058.db2.gz FAWBEXUUJBHBKI-INIZCTEOSA-N 1 3 331.504 2.532 20 0 EFADHO CCOC(=O)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172115651 1286025853 /nfs/dbraw/zinc/02/58/53/1286025853.db2.gz UWSQBMKIWPTUTE-AKHDSKFASA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172115651 1286025855 /nfs/dbraw/zinc/02/58/55/1286025855.db2.gz UWSQBMKIWPTUTE-AKHDSKFASA-N 1 3 330.472 2.938 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CCCCC3=O)nc1)C2 ZINC001172115209 1286025935 /nfs/dbraw/zinc/02/59/35/1286025935.db2.gz SBJFCHNFQLZRSG-BCDXTJNWSA-N 1 3 342.487 2.703 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCC2=CCCCC2)C1 ZINC001133856211 1286031347 /nfs/dbraw/zinc/03/13/47/1286031347.db2.gz ARTFMBIROBNJNL-IBGZPJMESA-N 1 3 339.499 2.795 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133850143 1286031514 /nfs/dbraw/zinc/03/15/14/1286031514.db2.gz KBHQCZSGCXXDOP-HXUWFJFHSA-N 1 3 349.494 2.722 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001133856649 1286032665 /nfs/dbraw/zinc/03/26/65/1286032665.db2.gz MRTYLRUOXVWSKX-YLJYHZDGSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1cccc(Cl)c1 ZINC001133893336 1286071269 /nfs/dbraw/zinc/07/12/69/1286071269.db2.gz DEQXQWKCCHAHQH-CQSZACIVSA-N 1 3 337.895 2.839 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001133896486 1286077604 /nfs/dbraw/zinc/07/76/04/1286077604.db2.gz KSRODOBUXLUSPK-UXBLZVDNSA-N 1 3 329.488 2.528 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2cccc(Cl)c2)CC1 ZINC001172244350 1286077617 /nfs/dbraw/zinc/07/76/17/1286077617.db2.gz PJUXNHWFJQQMLL-UHFFFAOYSA-N 1 3 326.868 2.809 20 0 EFADHO CCCc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001133896461 1286077909 /nfs/dbraw/zinc/07/79/09/1286077909.db2.gz JZLXUZODNOLVHB-UHFFFAOYSA-N 1 3 331.504 2.577 20 0 EFADHO COCCCN1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172244458 1286077962 /nfs/dbraw/zinc/07/79/62/1286077962.db2.gz QYCYTOBEEJVUMB-HXUWFJFHSA-N 1 3 345.531 2.599 20 0 EFADHO COCCCN1CCC([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC001172248863 1286080117 /nfs/dbraw/zinc/08/01/17/1286080117.db2.gz QZLVUJFAGYMXDZ-NRFANRHFSA-N 1 3 345.531 2.742 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001172249275 1286081967 /nfs/dbraw/zinc/08/19/67/1286081967.db2.gz IIJXNPALFAVSKJ-QGZVFWFLSA-N 1 3 332.488 2.985 20 0 EFADHO COCCC[NH+]1CCC(N2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001172254161 1286084390 /nfs/dbraw/zinc/08/43/90/1286084390.db2.gz AANVAGJHYPIJSA-LJQANCHMSA-N 1 3 345.531 2.694 20 0 EFADHO CN(CC(=O)NCC[NH2+]CCCCc1ccccc1)CC(C)(C)C ZINC001133906177 1286088397 /nfs/dbraw/zinc/08/83/97/1286088397.db2.gz OXKMPDRIMHYIPM-UHFFFAOYSA-N 1 3 333.520 2.693 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133907931 1286091288 /nfs/dbraw/zinc/09/12/88/1286091288.db2.gz DBWNFTULSHHYES-UHFFFAOYSA-N 1 3 333.520 2.994 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133908050 1286092495 /nfs/dbraw/zinc/09/24/95/1286092495.db2.gz FPIDBQNFYDOPFB-UHFFFAOYSA-N 1 3 333.520 2.611 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001165719016 1312670149 /nfs/dbraw/zinc/67/01/49/1312670149.db2.gz XCYHNHIIDQCTTH-LJQANCHMSA-N 1 3 345.531 2.836 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)cc1)CC(C)(C)C ZINC001133899748 1286099670 /nfs/dbraw/zinc/09/96/70/1286099670.db2.gz VJHCNDMURPIKLI-UHFFFAOYSA-N 1 3 325.884 2.524 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1)CC(C)(C)C ZINC001133899782 1286099787 /nfs/dbraw/zinc/09/97/87/1286099787.db2.gz WYTDBEWSJFLDKE-UHFFFAOYSA-N 1 3 343.874 2.663 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccc(Cl)s1)CC(C)(C)C ZINC001133899737 1286099875 /nfs/dbraw/zinc/09/98/75/1286099875.db2.gz UUGFBZBKWJDUBM-UHFFFAOYSA-N 1 3 331.913 2.585 20 0 EFADHO C[C@@H](CN)C[NH2+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524261 1286164822 /nfs/dbraw/zinc/16/48/22/1286164822.db2.gz WTJLNPWWZNLQKY-WNHJNPCNSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H](CN)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524260 1286165110 /nfs/dbraw/zinc/16/51/10/1286165110.db2.gz WTJLNPWWZNLQKY-DSLXNQLJSA-N 1 3 329.488 2.502 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]CCc1cc(Cl)cc(Cl)c1)N(C)C ZINC001133966184 1286172204 /nfs/dbraw/zinc/17/22/04/1286172204.db2.gz WTFPEITXUPBELB-HNNXBMFYSA-N 1 3 346.302 2.582 20 0 EFADHO COC(=O)N1CCC([NH2+]C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 ZINC001172736289 1286249505 /nfs/dbraw/zinc/24/95/05/1286249505.db2.gz KKKBNMSXZPORRB-MRXNPFEDSA-N 1 3 335.492 2.628 20 0 EFADHO C[C@H](Cc1c(F)cccc1Cl)N1CCN(CCCC[NH3+])CC1 ZINC001172848999 1286302118 /nfs/dbraw/zinc/30/21/18/1286302118.db2.gz ICGWXALFLFFXCN-CQSZACIVSA-N 1 3 327.875 2.767 20 0 EFADHO CCCC[N@H+](CC)CCNC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172883594 1286318015 /nfs/dbraw/zinc/31/80/15/1286318015.db2.gz TXMDYTFKZPKLOU-UHFFFAOYSA-N 1 3 341.540 2.504 20 0 EFADHO CCCC[N@@H+](CC)CCNC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172883594 1286318021 /nfs/dbraw/zinc/31/80/21/1286318021.db2.gz TXMDYTFKZPKLOU-UHFFFAOYSA-N 1 3 341.540 2.504 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@H](OC)C1)C2 ZINC001172939595 1286344495 /nfs/dbraw/zinc/34/44/95/1286344495.db2.gz ROVPEMWNROXZFI-LWYYNNOASA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@H](OC)C1)C2 ZINC001172939595 1286344501 /nfs/dbraw/zinc/34/45/01/1286344501.db2.gz ROVPEMWNROXZFI-LWYYNNOASA-N 1 3 336.520 2.624 20 0 EFADHO CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062581 1286472020 /nfs/dbraw/zinc/47/20/20/1286472020.db2.gz MTQRLIRMBPQDCW-SZMVWBNQSA-N 1 3 329.488 2.741 20 0 EFADHO COC(=O)CCCC[C@@H](C)N1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001173456555 1286611664 /nfs/dbraw/zinc/61/16/64/1286611664.db2.gz CNWAUQZWWHJHPF-MRXNPFEDSA-N 1 3 340.508 2.684 20 0 EFADHO COCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368796 1286638864 /nfs/dbraw/zinc/63/88/64/1286638864.db2.gz AKIPBWSBTLMTHN-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001134369171 1286639409 /nfs/dbraw/zinc/63/94/09/1286639409.db2.gz HTOLPGDSRBQLLI-PQAPVRDISA-N 1 3 329.916 2.876 20 0 EFADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170749758 1286674507 /nfs/dbraw/zinc/67/45/07/1286674507.db2.gz BVQRZVNPORMYJF-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([NH+]1CC3(C1)CCN(CC1CC1)C3)CC2 ZINC001173612274 1286715555 /nfs/dbraw/zinc/71/55/55/1286715555.db2.gz RQPULZDKQXJPTO-WBTXTPOCSA-N 1 3 346.515 2.916 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(C[C@H]4C(=O)OCC)CC3)C[C@@H]2C1 ZINC001173628056 1286719882 /nfs/dbraw/zinc/71/98/82/1286719882.db2.gz RGBDWZDZBHIAPB-IBEXZBQWSA-N 1 3 334.504 2.772 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(C[C@H]4C(=O)OCC)CC3)C[C@@H]2C1 ZINC001173628056 1286719890 /nfs/dbraw/zinc/71/98/90/1286719890.db2.gz RGBDWZDZBHIAPB-IBEXZBQWSA-N 1 3 334.504 2.772 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@H](N2CCN(c3cc[nH+]c(C)c3)CC2)C1 ZINC001173665010 1286742646 /nfs/dbraw/zinc/74/26/46/1286742646.db2.gz QUPZGGYOAPEETL-SJORKVTESA-N 1 3 331.460 2.634 20 0 EFADHO c1nnn([C@@H]2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC001173751963 1286777087 /nfs/dbraw/zinc/77/70/87/1286777087.db2.gz NTMCDMBENOPDSZ-FUHWJXTLSA-N 1 3 332.496 2.544 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CC1CC2(CCC2)C1)NC(=O)C1(N(C)C)CCC1 ZINC001134583271 1286917016 /nfs/dbraw/zinc/91/70/16/1286917016.db2.gz HVRJLUCDXYEKSJ-JKSUJKDBSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583452 1286917148 /nfs/dbraw/zinc/91/71/48/1286917148.db2.gz KOAKTXVVLBUFDR-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134582890 1286917245 /nfs/dbraw/zinc/91/72/45/1286917245.db2.gz BELRGMOQFNUYLA-ROUUACIJSA-N 1 3 345.531 2.976 20 0 EFADHO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583507 1286917566 /nfs/dbraw/zinc/91/75/66/1286917566.db2.gz LWXWPQSXJOVUBT-JKSUJKDBSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583993 1286918345 /nfs/dbraw/zinc/91/83/45/1286918345.db2.gz PYYXXAGSBLLYEZ-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134584558 1286918749 /nfs/dbraw/zinc/91/87/49/1286918749.db2.gz VDLYLWSFAPBEDE-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CCc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134584167 1286918869 /nfs/dbraw/zinc/91/88/69/1286918869.db2.gz RDTKQUBQGRTCAW-JKSUJKDBSA-N 1 3 349.494 2.725 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001134612185 1286949415 /nfs/dbraw/zinc/94/94/15/1286949415.db2.gz IWXLWEWEGDTPNL-ZIAGYGMSSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001134612350 1286949911 /nfs/dbraw/zinc/94/99/11/1286949911.db2.gz LOBFQDQGDYPLPT-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769797 1287152243 /nfs/dbraw/zinc/15/22/43/1287152243.db2.gz PFNHOSMCWXMHSF-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134766607 1287163727 /nfs/dbraw/zinc/16/37/27/1287163727.db2.gz JIRCVYAKNWKIGZ-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001134772250 1287169136 /nfs/dbraw/zinc/16/91/36/1287169136.db2.gz AOINWZLTUPOIRN-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001134773082 1287169646 /nfs/dbraw/zinc/16/96/46/1287169646.db2.gz KUHGPKKPHYSCEL-GJZGRUSLSA-N 1 3 337.483 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001134772912 1287169798 /nfs/dbraw/zinc/16/97/98/1287169798.db2.gz JCESPIAUXIYHCO-LSDHHAIUSA-N 1 3 337.483 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001134772911 1287170537 /nfs/dbraw/zinc/17/05/37/1287170537.db2.gz JCESPIAUXIYHCO-HUUCEWRRSA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134772536 1287170562 /nfs/dbraw/zinc/17/05/62/1287170562.db2.gz FSDCMKOFQULRNX-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134772536 1287170566 /nfs/dbraw/zinc/17/05/66/1287170566.db2.gz FSDCMKOFQULRNX-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO C[C@H](NCCNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1F ZINC001134754478 1287173245 /nfs/dbraw/zinc/17/32/45/1287173245.db2.gz PLZLIEWGBVWSTB-HOTGVXAUSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(OC)c1 ZINC001176284681 1287923043 /nfs/dbraw/zinc/92/30/43/1287923043.db2.gz IXGJHKBGPGORHM-QGZVFWFLSA-N 1 3 349.519 2.802 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001176285728 1287923772 /nfs/dbraw/zinc/92/37/72/1287923772.db2.gz PXSLZMZRWGXPHR-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCOCCC(C)C ZINC001176292554 1287925777 /nfs/dbraw/zinc/92/57/77/1287925777.db2.gz KYIZAEVDGYFBNQ-GOSISDBHSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(C)(C)C1 ZINC001176351602 1287960872 /nfs/dbraw/zinc/96/08/72/1287960872.db2.gz VLVJCABBTDOXDB-CQSZACIVSA-N 1 3 334.508 2.961 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206274841 1287987557 /nfs/dbraw/zinc/98/75/57/1287987557.db2.gz LOLIREVMFVIOQT-NCPSJORJSA-N 1 3 348.318 2.618 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206274841 1287987561 /nfs/dbraw/zinc/98/75/61/1287987561.db2.gz LOLIREVMFVIOQT-NCPSJORJSA-N 1 3 348.318 2.618 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCOc1ccc(C)cc1 ZINC001135440065 1288023481 /nfs/dbraw/zinc/02/34/81/1288023481.db2.gz DECFLBDJHSYQND-UHFFFAOYSA-N 1 3 349.519 2.592 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@H](C)c1ccccc1F)C(C)C ZINC001135474680 1288024341 /nfs/dbraw/zinc/02/43/41/1288024341.db2.gz XBSOPPYHWCAUSH-CRAIPNDOSA-N 1 3 337.483 2.959 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@@H](C)c1ccccc1F)C(C)C ZINC001135474683 1288025000 /nfs/dbraw/zinc/02/50/00/1288025000.db2.gz XBSOPPYHWCAUSH-YJBOKZPZSA-N 1 3 337.483 2.959 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475925 1288047278 /nfs/dbraw/zinc/04/72/78/1288047278.db2.gz HBEAFODQGZZBIZ-UONOGXRCSA-N 1 3 345.478 2.637 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001135523231 1288060765 /nfs/dbraw/zinc/06/07/65/1288060765.db2.gz CDSYETHHZSFFJT-LBPRGKRZSA-N 1 3 329.847 2.588 20 0 EFADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176738740 1288088780 /nfs/dbraw/zinc/08/87/80/1288088780.db2.gz SNGGNKLARLIWQK-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737597 1288088858 /nfs/dbraw/zinc/08/88/58/1288088858.db2.gz KUBLRFKFGNMEMA-MRXNPFEDSA-N 1 3 337.483 2.986 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746089 1288092752 /nfs/dbraw/zinc/09/27/52/1288092752.db2.gz FBYSMBPSJQPTPL-DLBZAZTESA-N 1 3 349.519 2.661 20 0 EFADHO CCOCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746592 1288094031 /nfs/dbraw/zinc/09/40/31/1288094031.db2.gz JNZHYPADRHRTAI-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO C[C@H](CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000217955670 1288116695 /nfs/dbraw/zinc/11/66/95/1288116695.db2.gz JOJPWJKNUMVJIA-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000217955670 1288116702 /nfs/dbraw/zinc/11/67/02/1288116702.db2.gz JOJPWJKNUMVJIA-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001176754436 1288119923 /nfs/dbraw/zinc/11/99/23/1288119923.db2.gz VTJFVIIOBKXILE-ZDUSSCGKSA-N 1 3 325.419 2.544 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C ZINC001176758890 1288121528 /nfs/dbraw/zinc/12/15/28/1288121528.db2.gz GPRWSLRTGHWGMG-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001176948075 1288191320 /nfs/dbraw/zinc/19/13/20/1288191320.db2.gz FHSHUSYRAOBMIS-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO CC(C)CCOCC[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176953736 1288193832 /nfs/dbraw/zinc/19/38/32/1288193832.db2.gz SBLUSPWNZFRXTN-UHFFFAOYSA-N 1 3 349.519 2.520 20 0 EFADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001176986724 1288208138 /nfs/dbraw/zinc/20/81/38/1288208138.db2.gz UBHCMWWTKVFNFY-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001176986338 1288208253 /nfs/dbraw/zinc/20/82/53/1288208253.db2.gz LCGQWSBIYHXFGC-AWEZNQCLSA-N 1 3 325.884 2.837 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001176986799 1288208306 /nfs/dbraw/zinc/20/83/06/1288208306.db2.gz WGJKHTNPDCPXNS-HXUWFJFHSA-N 1 3 345.531 2.980 20 0 EFADHO CCc1ccc(CC[NH2+]CCCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001176992041 1288215891 /nfs/dbraw/zinc/21/58/91/1288215891.db2.gz HTSGTXNBKMNYHP-HXUWFJFHSA-N 1 3 345.531 2.762 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccccc21 ZINC001176991404 1288215934 /nfs/dbraw/zinc/21/59/34/1288215934.db2.gz ASTOIRGXAZBTPV-RBUKOAKNSA-N 1 3 329.488 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001176991727 1288216260 /nfs/dbraw/zinc/21/62/60/1288216260.db2.gz CTKKACDSJMFVHT-CVEARBPZSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001176992510 1288218260 /nfs/dbraw/zinc/21/82/60/1288218260.db2.gz RSCUAGMOHWTZBP-QAPCUYQASA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCOC ZINC001135691756 1288269441 /nfs/dbraw/zinc/26/94/41/1288269441.db2.gz ZIAMFIDVQHRPJY-ROUUACIJSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179546364 1289185523 /nfs/dbraw/zinc/18/55/23/1289185523.db2.gz NAJGBABOXLTFPW-STQMWFEESA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179546364 1289185525 /nfs/dbraw/zinc/18/55/25/1289185525.db2.gz NAJGBABOXLTFPW-STQMWFEESA-N 1 3 348.318 2.616 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135706221 1288290735 /nfs/dbraw/zinc/29/07/35/1288290735.db2.gz QMRXKQWWDQBKHT-ROUUACIJSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135706660 1288290880 /nfs/dbraw/zinc/29/08/80/1288290880.db2.gz YVZAGEGBRAZNRQ-QZTJIDSGSA-N 1 3 333.520 2.834 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135706619 1288290981 /nfs/dbraw/zinc/29/09/81/1288290981.db2.gz XQKFFHWVSHYHTJ-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135743198 1288322759 /nfs/dbraw/zinc/32/27/59/1288322759.db2.gz GPSHFEXPULNNQA-ZWKOTPCHSA-N 1 3 333.520 2.752 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135743961 1288325290 /nfs/dbraw/zinc/32/52/90/1288325290.db2.gz SMQCRVOBARZGHI-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135747163 1288328791 /nfs/dbraw/zinc/32/87/91/1288328791.db2.gz NXNGDDWFKYGBEC-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CC(C)[C@@H](C(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)N(C)C ZINC001177342455 1288399879 /nfs/dbraw/zinc/39/98/79/1288399879.db2.gz NYNDFRCVFDZVPV-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N(CCC[NH2+]CCF)CC1CCCC1)CC(C)(C)C ZINC001177415749 1288423217 /nfs/dbraw/zinc/42/32/17/1288423217.db2.gz KJADCUBYKZXJLZ-UHFFFAOYSA-N 1 3 343.531 2.932 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177416260 1288424174 /nfs/dbraw/zinc/42/41/74/1288424174.db2.gz YCYOWFVIFZPACB-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203257574 1288505556 /nfs/dbraw/zinc/50/55/56/1288505556.db2.gz NCHTWADDQODDQG-IRXDYDNUSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cnc(CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)s1 ZINC001135966176 1288689392 /nfs/dbraw/zinc/68/93/92/1288689392.db2.gz KGJZTVGIHHMYNY-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001135981075 1288706544 /nfs/dbraw/zinc/70/65/44/1288706544.db2.gz XGPBWXFKYMNVJE-KGLIPLIRSA-N 1 3 339.446 2.934 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135980949 1288706781 /nfs/dbraw/zinc/70/67/81/1288706781.db2.gz VIIOAGCXZPVMJK-JKSUJKDBSA-N 1 3 344.503 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135981096 1288706953 /nfs/dbraw/zinc/70/69/53/1288706953.db2.gz XVABJSOSJWPABD-IRXDYDNUSA-N 1 3 333.520 2.964 20 0 EFADHO Fc1cccc2c1C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CC2 ZINC001170969384 1288768186 /nfs/dbraw/zinc/76/81/86/1288768186.db2.gz IBCLMYMLMMDKTI-KZNAEPCWSA-N 1 3 332.463 2.916 20 0 EFADHO CC(C)OCCC[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178693658 1288873854 /nfs/dbraw/zinc/87/38/54/1288873854.db2.gz ZVFSUWPAUPKTSW-UHFFFAOYSA-N 1 3 341.540 2.552 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)C1CC1 ZINC001178698918 1288876230 /nfs/dbraw/zinc/87/62/30/1288876230.db2.gz ZMFREABEABZYEY-QGZVFWFLSA-N 1 3 337.533 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001178755129 1288894008 /nfs/dbraw/zinc/89/40/08/1288894008.db2.gz LLHRHTISLOOMOC-INIZCTEOSA-N 1 3 347.494 2.884 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cccnc1C ZINC001178853716 1288943826 /nfs/dbraw/zinc/94/38/26/1288943826.db2.gz POJAQFNSYZXJLO-UHFFFAOYSA-N 1 3 348.535 2.887 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccn1 ZINC001178853686 1288943921 /nfs/dbraw/zinc/94/39/21/1288943921.db2.gz OEXMGSUQLYAKOM-UHFFFAOYSA-N 1 3 334.508 2.578 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCCCCOC ZINC001178853272 1288943942 /nfs/dbraw/zinc/94/39/42/1288943942.db2.gz GMRPXCBOOIDENV-UHFFFAOYSA-N 1 3 343.556 2.800 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCCCCCNCc1nccs1 ZINC001178853485 1288944142 /nfs/dbraw/zinc/94/41/42/1288944142.db2.gz KMGFQMRPSXAYOC-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCCCCNCc1nccs1 ZINC001178853485 1288944145 /nfs/dbraw/zinc/94/41/45/1288944145.db2.gz KMGFQMRPSXAYOC-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001178816218 1288945774 /nfs/dbraw/zinc/94/57/74/1288945774.db2.gz XKHDLJVRFXGFBZ-LJQANCHMSA-N 1 3 348.535 2.805 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001178818855 1288946634 /nfs/dbraw/zinc/94/66/34/1288946634.db2.gz HDWHXPFVCQHAEF-LJQANCHMSA-N 1 3 349.519 2.672 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001178819723 1288946730 /nfs/dbraw/zinc/94/67/30/1288946730.db2.gz QFCAQBUAVJLIBF-GOSISDBHSA-N 1 3 343.556 2.656 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC001178902303 1288975507 /nfs/dbraw/zinc/97/55/07/1288975507.db2.gz KFESCOCGEFUBBF-YJBOKZPZSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]C/C=C\c3ccccc3)[C@@H]2C)C1 ZINC001179539160 1289183464 /nfs/dbraw/zinc/18/34/64/1289183464.db2.gz PZDDPSATEQGYPH-GKKXZVKOSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550187 1289186861 /nfs/dbraw/zinc/18/68/61/1289186861.db2.gz QVYIXVOGYWYTSO-YJBOKZPZSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]1C)N(C)C ZINC001179553833 1289187286 /nfs/dbraw/zinc/18/72/86/1289187286.db2.gz ARLKSATWYYAHHL-IHPCNDPISA-N 1 3 345.531 2.929 20 0 EFADHO CC[C@@H](C[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C)OC ZINC001179593110 1289192671 /nfs/dbraw/zinc/19/26/71/1289192671.db2.gz WADQTXZGTGFRLY-KRWDZBQOSA-N 1 3 343.556 2.656 20 0 EFADHO COCCCC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592590 1289192738 /nfs/dbraw/zinc/19/27/38/1289192738.db2.gz IVMMQXGRBXAIJJ-UHFFFAOYSA-N 1 3 343.556 2.657 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001179609673 1289198306 /nfs/dbraw/zinc/19/83/06/1289198306.db2.gz XKHDLJVRFXGFBZ-IBGZPJMESA-N 1 3 348.535 2.805 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCCCc2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001179617471 1289199930 /nfs/dbraw/zinc/19/99/30/1289199930.db2.gz HVGGONDCSMEUAV-LPHOPBHVSA-N 1 3 340.471 2.554 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001179580423 1289200955 /nfs/dbraw/zinc/20/09/55/1289200955.db2.gz GCQNOLQNXSNLNI-MRXNPFEDSA-N 1 3 337.533 2.999 20 0 EFADHO COCCCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580869 1289201360 /nfs/dbraw/zinc/20/13/60/1289201360.db2.gz TXGKTBPZKGRRPN-SFHVURJKSA-N 1 3 341.540 2.554 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CCCCCF)C1 ZINC001179585234 1289203734 /nfs/dbraw/zinc/20/37/34/1289203734.db2.gz DRKQQAFGKMAHQT-QGZVFWFLSA-N 1 3 329.504 2.734 20 0 EFADHO COC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746143 1289256643 /nfs/dbraw/zinc/25/66/43/1289256643.db2.gz PGFWIMJREUPZOU-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@@H]1C ZINC001179763601 1289262609 /nfs/dbraw/zinc/26/26/09/1289262609.db2.gz MLYHQCYGIYFCBG-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)[C@@H]1C ZINC001179982579 1289350140 /nfs/dbraw/zinc/35/01/40/1289350140.db2.gz AEYYJGJKJOGNBN-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983099 1289350525 /nfs/dbraw/zinc/35/05/25/1289350525.db2.gz LBRCCHDFLFTAHN-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001179983165 1289350748 /nfs/dbraw/zinc/35/07/48/1289350748.db2.gz NCJNMYBEIAVMFR-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@@H]1C ZINC001179982621 1289350984 /nfs/dbraw/zinc/35/09/84/1289350984.db2.gz BTVPCDLJPURUGZ-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2)[C@@H]1C ZINC001179983360 1289351736 /nfs/dbraw/zinc/35/17/36/1289351736.db2.gz XZOPZQLUECTOSL-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC001180132174 1289413741 /nfs/dbraw/zinc/41/37/41/1289413741.db2.gz VYFVGJZXNRCYHY-ICSRJNTNSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl ZINC001180123912 1289425635 /nfs/dbraw/zinc/42/56/35/1289425635.db2.gz NNOOPNPLHRYCGX-KAMYIIQDSA-N 1 3 338.323 2.913 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001180123859 1289426100 /nfs/dbraw/zinc/42/61/00/1289426100.db2.gz LVAMCBGVUJPNBU-SFHVURJKSA-N 1 3 341.540 2.554 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180157977 1289436994 /nfs/dbraw/zinc/43/69/94/1289436994.db2.gz AMBQTYQFLZTDCF-UHFFFAOYSA-N 1 3 342.434 2.572 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180226614 1289450593 /nfs/dbraw/zinc/45/05/93/1289450593.db2.gz CZXVWBXNJHWVEA-LNLFQRSKSA-N 1 3 331.504 2.975 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180226687 1289450880 /nfs/dbraw/zinc/45/08/80/1289450880.db2.gz GVMPUAOEHALWFL-GJYPPUQNSA-N 1 3 347.503 2.675 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1C ZINC001180226694 1289451058 /nfs/dbraw/zinc/45/10/58/1289451058.db2.gz HAKLBNQEUSGQRP-HKUYNNGSSA-N 1 3 331.504 2.723 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226778 1289451447 /nfs/dbraw/zinc/45/14/47/1289451447.db2.gz LUOORNOJQMWHJF-PXNSSMCTSA-N 1 3 345.531 2.711 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H]1C ZINC001180226903 1289451666 /nfs/dbraw/zinc/45/16/66/1289451666.db2.gz SDXKZUVVJGXWHK-MPGHIAIKSA-N 1 3 335.467 2.806 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001232461651 1312709622 /nfs/dbraw/zinc/70/96/22/1312709622.db2.gz BXXXNKUWYOOUGR-VDGAXYAQSA-N 1 3 339.487 2.846 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH]1 ZINC001232461651 1312709625 /nfs/dbraw/zinc/70/96/25/1312709625.db2.gz BXXXNKUWYOOUGR-VDGAXYAQSA-N 1 3 339.487 2.846 20 0 EFADHO CN1CCC[C@@H](C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823842833 1289466361 /nfs/dbraw/zinc/46/63/61/1289466361.db2.gz RPDLCGMKCXYTTQ-KRWDZBQOSA-N 1 3 341.455 2.803 20 0 EFADHO O=C(CN1CCCC1)NCCCCCC[NH2+]C/C(Cl)=C/Cl ZINC001180274590 1289473530 /nfs/dbraw/zinc/47/35/30/1289473530.db2.gz LMYNYTUTHZBOAQ-KAMYIIQDSA-N 1 3 336.307 2.667 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180357417 1289494732 /nfs/dbraw/zinc/49/47/32/1289494732.db2.gz UCPSFEOBIKGSGV-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO CO[C@H](C)C[NH2+]CCCCCCNC(=O)c1cccc(CN(C)C)c1 ZINC001180357418 1289494763 /nfs/dbraw/zinc/49/47/63/1289494763.db2.gz UCPSFEOBIKGSGV-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO CCN(CC)CC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001180391313 1289507357 /nfs/dbraw/zinc/50/73/57/1289507357.db2.gz OLMOSDKPHCTCES-UHFFFAOYSA-N 1 3 337.895 2.544 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl ZINC001180369681 1289515628 /nfs/dbraw/zinc/51/56/28/1289515628.db2.gz RYWMHKDQYMMFRE-GXDHUFHOSA-N 1 3 338.323 2.912 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CCCCOC ZINC001180372535 1289515758 /nfs/dbraw/zinc/51/57/58/1289515758.db2.gz AHNBQXFMDIOANV-GOSISDBHSA-N 1 3 341.540 2.554 20 0 EFADHO Cc1ncsc1C[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369476 1289516206 /nfs/dbraw/zinc/51/62/06/1289516206.db2.gz HWHJYCQNVUICAE-UHFFFAOYSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC[C@H]1CCCCO1 ZINC001180369546 1289516513 /nfs/dbraw/zinc/51/65/13/1289516513.db2.gz LCIIBTWJQHQYPO-GOSISDBHSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001166004069 1312716947 /nfs/dbraw/zinc/71/69/47/1312716947.db2.gz DYOWLNWBHDJZKS-LJQANCHMSA-N 1 3 333.520 2.992 20 0 EFADHO CC[NH+]1CCC(CC2CCN(C(=O)[C@@H](C)N3CCCC3)CC2)CC1 ZINC001180578550 1289560673 /nfs/dbraw/zinc/56/06/73/1289560673.db2.gz JBDFHBHBBFMGFH-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166004576 1312717267 /nfs/dbraw/zinc/71/72/67/1312717267.db2.gz SGQCGVPGFRBSJS-LJQANCHMSA-N 1 3 349.519 2.656 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001166004790 1312717294 /nfs/dbraw/zinc/71/72/94/1312717294.db2.gz YAUSSGNOYKHAFI-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCCN[C@@H](C)c1nc2ccccc2o1)[NH+](C)C ZINC001166010949 1312718055 /nfs/dbraw/zinc/71/80/55/1312718055.db2.gz XCFPSOFDASLZBU-WMLDXEAASA-N 1 3 346.475 2.571 20 0 EFADHO CN(CC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)C1CCCC1 ZINC001180626840 1289576514 /nfs/dbraw/zinc/57/65/14/1289576514.db2.gz WFNDVXNQOUKUTP-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO CN(CC(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)C1CCCC1 ZINC001180626840 1289576518 /nfs/dbraw/zinc/57/65/18/1289576518.db2.gz WFNDVXNQOUKUTP-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1)N1CCCC1 ZINC001180584263 1289578094 /nfs/dbraw/zinc/57/80/94/1289578094.db2.gz DTZDQMWYUZFRES-OAHLLOKOSA-N 1 3 349.906 2.687 20 0 EFADHO CN(CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC001180630885 1289587849 /nfs/dbraw/zinc/58/78/49/1289587849.db2.gz ZFEVUJRXKFZBDV-IBGZPJMESA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC001180630885 1289587857 /nfs/dbraw/zinc/58/78/57/1289587857.db2.gz ZFEVUJRXKFZBDV-IBGZPJMESA-N 1 3 329.488 2.814 20 0 EFADHO C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC001180630885 1289587865 /nfs/dbraw/zinc/58/78/65/1289587865.db2.gz ZFEVUJRXKFZBDV-IBGZPJMESA-N 1 3 329.488 2.814 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC001180630906 1289588643 /nfs/dbraw/zinc/58/86/43/1289588643.db2.gz REVHBHPYVQEMAS-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC001180630906 1289588653 /nfs/dbraw/zinc/58/86/53/1289588653.db2.gz REVHBHPYVQEMAS-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[N@H+](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC001180630906 1289588662 /nfs/dbraw/zinc/58/86/62/1289588662.db2.gz REVHBHPYVQEMAS-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[N@@H+](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 ZINC001180630906 1289588672 /nfs/dbraw/zinc/58/86/72/1289588672.db2.gz REVHBHPYVQEMAS-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000873173347 1289618857 /nfs/dbraw/zinc/61/88/57/1289618857.db2.gz SGBRYSRQTKSHGY-UHFFFAOYSA-N 1 3 341.411 2.764 20 0 EFADHO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000873206736 1289642092 /nfs/dbraw/zinc/64/20/92/1289642092.db2.gz LBOADQHOWVHSMD-AWEZNQCLSA-N 1 3 336.501 2.805 20 0 EFADHO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc3c(s2)CCNC3)C1 ZINC000873206736 1289642100 /nfs/dbraw/zinc/64/21/00/1289642100.db2.gz LBOADQHOWVHSMD-AWEZNQCLSA-N 1 3 336.501 2.805 20 0 EFADHO COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873206736 1289642109 /nfs/dbraw/zinc/64/21/09/1289642109.db2.gz LBOADQHOWVHSMD-AWEZNQCLSA-N 1 3 336.501 2.805 20 0 EFADHO COc1ccc(CC[NH2+]Cc2cc3c(s2)CCNC3)cc1OC ZINC000873211928 1289645860 /nfs/dbraw/zinc/64/58/60/1289645860.db2.gz SSEPPTXGTKXZDE-UHFFFAOYSA-N 1 3 332.469 2.743 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211012 1289646489 /nfs/dbraw/zinc/64/64/89/1289646489.db2.gz GYBZWBFPDNKEBJ-BZUAXINKSA-N 1 3 327.513 2.700 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211012 1289646496 /nfs/dbraw/zinc/64/64/96/1289646496.db2.gz GYBZWBFPDNKEBJ-BZUAXINKSA-N 1 3 327.513 2.700 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001016328865 1312723224 /nfs/dbraw/zinc/72/32/24/1312723224.db2.gz IRDLFHLEALEFRY-SFHVURJKSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001016328865 1312723229 /nfs/dbraw/zinc/72/32/29/1312723229.db2.gz IRDLFHLEALEFRY-SFHVURJKSA-N 1 3 343.515 2.989 20 0 EFADHO [NH3+][C@H](C[C@H]1CCCN(Cc2cnc3cnccn23)C1)C1CCCC1 ZINC000873231969 1289667154 /nfs/dbraw/zinc/66/71/54/1289667154.db2.gz HUYBEFIJHYUMOH-CRAIPNDOSA-N 1 3 327.476 2.849 20 0 EFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000873246408 1289680448 /nfs/dbraw/zinc/68/04/48/1289680448.db2.gz VNKSEJSAPVUMTO-YSIASYRMSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000873246405 1289680639 /nfs/dbraw/zinc/68/06/39/1289680639.db2.gz VNKSEJSAPVUMTO-SXLOBPIMSA-N 1 3 345.531 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)c1 ZINC001016332758 1312725981 /nfs/dbraw/zinc/72/59/81/1312725981.db2.gz SEJHWZNLFWKFDI-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)c1 ZINC001016332758 1312725984 /nfs/dbraw/zinc/72/59/84/1312725984.db2.gz SEJHWZNLFWKFDI-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1c([C@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccc(F)cc1 ZINC000873259857 1289687496 /nfs/dbraw/zinc/68/74/96/1289687496.db2.gz NMPXZADYPYUKGY-SDNTUTLCSA-N 1 3 343.450 2.896 20 0 EFADHO COc1ccc(OC)c([C@@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873289914 1289704324 /nfs/dbraw/zinc/70/43/24/1289704324.db2.gz MHABXTKEOFYSRR-GDBMZVCRSA-N 1 3 334.460 2.513 20 0 EFADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000873289473 1289704368 /nfs/dbraw/zinc/70/43/68/1289704368.db2.gz IFMQIHGXKXMVIH-DGCLKSJQSA-N 1 3 328.378 2.913 20 0 EFADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000873292474 1289707582 /nfs/dbraw/zinc/70/75/82/1289707582.db2.gz ROWLRFGKTVGUCX-QFBILLFUSA-N 1 3 340.471 2.682 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000873297672 1289711905 /nfs/dbraw/zinc/71/19/05/1289711905.db2.gz YWCHXNNUTQOKLK-YVEFUNNKSA-N 1 3 333.863 2.756 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001181652628 1289887267 /nfs/dbraw/zinc/88/72/67/1289887267.db2.gz NROMFTGSBHCOOA-HITNWAPRSA-N 1 3 347.890 2.638 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1CCCCC1 ZINC001181755237 1289929991 /nfs/dbraw/zinc/92/99/91/1289929991.db2.gz KUAQYQLDAPTWOU-OZOXKJRCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]Cc1ccsc1 ZINC001181735715 1289936974 /nfs/dbraw/zinc/93/69/74/1289936974.db2.gz AFVWHXZBDNNSOQ-DNVCBOLYSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1)N(C)C ZINC001181800984 1289942783 /nfs/dbraw/zinc/94/27/83/1289942783.db2.gz JBCIJSDYKSYSNQ-IMFGXOCKSA-N 1 3 337.552 2.837 20 0 EFADHO CCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181801396 1289945031 /nfs/dbraw/zinc/94/50/31/1289945031.db2.gz ZPUGZOUVZBJFJJ-ZIFCJYIRSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181811047 1289969134 /nfs/dbraw/zinc/96/91/34/1289969134.db2.gz ZQOZYIZTPSOJLJ-ZIFCJYIRSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001181884167 1289988579 /nfs/dbraw/zinc/98/85/79/1289988579.db2.gz CDVAXHKOQOAVQF-YVWKXTFCSA-N 1 3 331.504 2.601 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001181885165 1289989616 /nfs/dbraw/zinc/98/96/16/1289989616.db2.gz QNIAEAFUSSPWRA-XFQXTVEOSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001181983091 1290020951 /nfs/dbraw/zinc/02/09/51/1290020951.db2.gz VLDBALXBQWRZEA-MOPGFXCFSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001181983091 1290020960 /nfs/dbraw/zinc/02/09/60/1290020960.db2.gz VLDBALXBQWRZEA-MOPGFXCFSA-N 1 3 329.488 2.670 20 0 EFADHO CN1CCC(N(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)C2CCCC2)CC1 ZINC001182555901 1290219332 /nfs/dbraw/zinc/21/93/32/1290219332.db2.gz SHAPBWZPVRJRDE-IBGZPJMESA-N 1 3 333.520 2.726 20 0 EFADHO CN1CCC(N(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)C2CCCC2)CC1 ZINC001182555901 1290219337 /nfs/dbraw/zinc/21/93/37/1290219337.db2.gz SHAPBWZPVRJRDE-IBGZPJMESA-N 1 3 333.520 2.726 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001037119789 1290228661 /nfs/dbraw/zinc/22/86/61/1290228661.db2.gz FCYLUWSZMOKHTR-RTBURBONSA-N 1 3 329.488 2.646 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001182963518 1290280157 /nfs/dbraw/zinc/28/01/57/1290280157.db2.gz CXHGSPONJLJLKI-MOPGFXCFSA-N 1 3 349.494 2.674 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001182933033 1290281462 /nfs/dbraw/zinc/28/14/62/1290281462.db2.gz HTNVOUVZGFCZMJ-VQIMIIECSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001182973475 1290288220 /nfs/dbraw/zinc/28/82/20/1290288220.db2.gz LNHMVKBUNJAVMJ-RTBURBONSA-N 1 3 349.494 2.674 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001182973226 1290288740 /nfs/dbraw/zinc/28/87/40/1290288740.db2.gz BYAGLXCCWLCWNZ-AXJDHONKSA-N 1 3 347.478 2.570 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183372966 1290341836 /nfs/dbraw/zinc/34/18/36/1290341836.db2.gz PLZWGZIGXHYAMC-FFGOWVMKSA-N 1 3 343.515 2.696 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001037130716 1290343057 /nfs/dbraw/zinc/34/30/57/1290343057.db2.gz ISARSSIXYSZIIM-MSOLQXFVSA-N 1 3 340.471 2.644 20 0 EFADHO CC[C@H](C(=O)NCCCNCc1cccc(F)c1F)[NH+](CC)CC ZINC001166433016 1312775829 /nfs/dbraw/zinc/77/58/29/1312775829.db2.gz UYPHGCBYYSVJEN-MRXNPFEDSA-N 1 3 341.446 2.681 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001183516921 1290353056 /nfs/dbraw/zinc/35/30/56/1290353056.db2.gz FRALOVVPGQRQDV-QHNBZISNSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001183510289 1290357990 /nfs/dbraw/zinc/35/79/90/1290357990.db2.gz SXGMEKPTZGXWRS-YLJYHZDGSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(F)c2)C1 ZINC001183509818 1290358086 /nfs/dbraw/zinc/35/80/86/1290358086.db2.gz PBMSVIMWJAQOGK-OXQOHEQNSA-N 1 3 349.494 2.740 20 0 EFADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001183576034 1290370493 /nfs/dbraw/zinc/37/04/93/1290370493.db2.gz WYYSZMNIUSXXSQ-GOSISDBHSA-N 1 3 348.450 2.744 20 0 EFADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001183576034 1290370504 /nfs/dbraw/zinc/37/05/04/1290370504.db2.gz WYYSZMNIUSXXSQ-GOSISDBHSA-N 1 3 348.450 2.744 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000874845520 1290393505 /nfs/dbraw/zinc/39/35/05/1290393505.db2.gz VTGISGGHWGEYTF-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000874845520 1290393516 /nfs/dbraw/zinc/39/35/16/1290393516.db2.gz VTGISGGHWGEYTF-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C[NH2+]CCCCCF ZINC001184575793 1290475558 /nfs/dbraw/zinc/47/55/58/1290475558.db2.gz DYRDZJBXQZFVBU-IRXDYDNUSA-N 1 3 341.515 2.685 20 0 EFADHO [NH3+]Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000825795304 1290537831 /nfs/dbraw/zinc/53/78/31/1290537831.db2.gz JOOXKDHYJKCCGK-MRXNPFEDSA-N 1 3 329.469 2.774 20 0 EFADHO C[C@@H](c1cc(F)ccc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511253 1312792713 /nfs/dbraw/zinc/79/27/13/1312792713.db2.gz YXXQOLSSBWZRCT-RRQGHBQHSA-N 1 3 335.442 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001037156190 1290607491 /nfs/dbraw/zinc/60/74/91/1290607491.db2.gz DFGZQPOLHAOVPH-DLBZAZTESA-N 1 3 330.476 2.636 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]CC1CCC1 ZINC001185171252 1290608348 /nfs/dbraw/zinc/60/83/48/1290608348.db2.gz VADCMMIIDZBZNB-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cc2nc[nH]c2C)cs1 ZINC001037156397 1290610075 /nfs/dbraw/zinc/61/00/75/1290610075.db2.gz FRXFSACLRUZFSL-JKSUJKDBSA-N 1 3 346.500 2.705 20 0 EFADHO C[NH+](C)CCC(=O)N1CC[C@@H](NC2c3ccccc3-c3ccccc32)C1 ZINC001185408433 1290680224 /nfs/dbraw/zinc/68/02/24/1290680224.db2.gz UCQKTOCVELKCTQ-MRXNPFEDSA-N 1 3 349.478 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001185549691 1290705173 /nfs/dbraw/zinc/70/51/73/1290705173.db2.gz RIQSBPBJUSCPCK-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001185550161 1290705775 /nfs/dbraw/zinc/70/57/75/1290705775.db2.gz STDFMWPYJOEEJM-WBVHZDCISA-N 1 3 337.533 2.664 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001166627589 1312806585 /nfs/dbraw/zinc/80/65/85/1312806585.db2.gz WOODUTVBGKYIPR-SFHVURJKSA-N 1 3 331.504 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001185546771 1290718713 /nfs/dbraw/zinc/71/87/13/1290718713.db2.gz CSVVTVMZJSRYHE-SJORKVTESA-N 1 3 325.541 2.839 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001185676426 1290748311 /nfs/dbraw/zinc/74/83/11/1290748311.db2.gz WXDUHPUGOCPJNI-QGZVFWFLSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001185750234 1290762356 /nfs/dbraw/zinc/76/23/56/1290762356.db2.gz IFCPJIIBCQMMEP-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634883 1312808241 /nfs/dbraw/zinc/80/82/41/1312808241.db2.gz XPLBFYUAQLHCLV-HNNXBMFYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc(F)ccc1Cl ZINC001166633435 1312808527 /nfs/dbraw/zinc/80/85/27/1312808527.db2.gz FZVAQGYDQWDEFN-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cccc(Cl)c1 ZINC001166634507 1312808599 /nfs/dbraw/zinc/80/85/99/1312808599.db2.gz UZHANSTYCNIDBF-HUUCEWRRSA-N 1 3 337.895 2.981 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166633390 1312808782 /nfs/dbraw/zinc/80/87/82/1312808782.db2.gz FGRBZMFAWSPWNX-QGZVFWFLSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634884 1312808835 /nfs/dbraw/zinc/80/88/35/1312808835.db2.gz XPLBFYUAQLHCLV-OAHLLOKOSA-N 1 3 337.895 2.729 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627650 1312806684 /nfs/dbraw/zinc/80/66/84/1312806684.db2.gz YKTWFJPMHUMLQP-ZWKOTPCHSA-N 1 3 331.504 2.945 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001166676887 1312817004 /nfs/dbraw/zinc/81/70/04/1312817004.db2.gz DQBAYWWRCCCQOH-INIZCTEOSA-N 1 3 329.488 2.502 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](C[C@H]3CC=CCC3)CC2)C1=O ZINC001273515963 1290889897 /nfs/dbraw/zinc/88/98/97/1290889897.db2.gz QLQJJBPPORZTGI-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](C[C@H]3CC=CCC3)CC2)C1=O ZINC001273515963 1290889910 /nfs/dbraw/zinc/88/99/10/1290889910.db2.gz QLQJJBPPORZTGI-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC)CC[C@@H]1c1ccc(F)cc1 ZINC001186203953 1290896260 /nfs/dbraw/zinc/89/62/60/1290896260.db2.gz WPJPYPKXFHHZEF-IEBWSBKVSA-N 1 3 349.494 2.709 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CC)CC[C@@H]1c1ccc(F)cc1 ZINC001186203953 1290896271 /nfs/dbraw/zinc/89/62/71/1290896271.db2.gz WPJPYPKXFHHZEF-IEBWSBKVSA-N 1 3 349.494 2.709 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001166677735 1312817032 /nfs/dbraw/zinc/81/70/32/1312817032.db2.gz MDQUBUIEBMYAFE-QFBILLFUSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001166676866 1312817050 /nfs/dbraw/zinc/81/70/50/1312817050.db2.gz DJWVGNGTMXTBPO-HNAYVOBHSA-N 1 3 347.478 2.641 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001166677934 1312817519 /nfs/dbraw/zinc/81/75/19/1312817519.db2.gz QTYGCVLVKTWDHM-GJZGRUSLSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001166676908 1312817635 /nfs/dbraw/zinc/81/76/35/1312817635.db2.gz DWPHVKWPSZCUPX-HKUYNNGSSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001166677936 1312817752 /nfs/dbraw/zinc/81/77/52/1312817752.db2.gz QTYGCVLVKTWDHM-LSDHHAIUSA-N 1 3 337.895 2.839 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687473 1312820265 /nfs/dbraw/zinc/82/02/65/1312820265.db2.gz SLVWQYYYUPPYJW-VQIMIIECSA-N 1 3 343.531 2.977 20 0 EFADHO CC/C=C\CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687769 1312820352 /nfs/dbraw/zinc/82/03/52/1312820352.db2.gz YZTRGCUPPXXYKQ-HPFMTEOYSA-N 1 3 327.488 2.651 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001166686727 1312820559 /nfs/dbraw/zinc/82/05/59/1312820559.db2.gz FOFTWGASQNNIAF-LJQANCHMSA-N 1 3 341.515 2.731 20 0 EFADHO CC/C=C\CC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687771 1312820610 /nfs/dbraw/zinc/82/06/10/1312820610.db2.gz YZTRGCUPPXXYKQ-MJRGOJFPSA-N 1 3 327.488 2.651 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001166687527 1312820671 /nfs/dbraw/zinc/82/06/71/1312820671.db2.gz UUIBSLBKPXQIMK-HXUWFJFHSA-N 1 3 349.494 2.803 20 0 EFADHO CC/C=C/CC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687770 1312820733 /nfs/dbraw/zinc/82/07/33/1312820733.db2.gz YZTRGCUPPXXYKQ-IPLHWJFFSA-N 1 3 327.488 2.651 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001186452207 1290955843 /nfs/dbraw/zinc/95/58/43/1290955843.db2.gz LZYDFUAZTIQKKU-GOSISDBHSA-N 1 3 331.504 2.644 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC001186451247 1290955889 /nfs/dbraw/zinc/95/58/89/1290955889.db2.gz DKXBDTOWYKYFIY-WMLDXEAASA-N 1 3 337.895 2.933 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001186489174 1290965071 /nfs/dbraw/zinc/96/50/71/1290965071.db2.gz XBJNVTDQKBOMNK-SJLPKXTDSA-N 1 3 349.906 2.860 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782784 1291023508 /nfs/dbraw/zinc/02/35/08/1291023508.db2.gz UVUIZWNCVJSFBQ-GOSISDBHSA-N 1 3 332.492 2.531 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782784 1291023517 /nfs/dbraw/zinc/02/35/17/1291023517.db2.gz UVUIZWNCVJSFBQ-GOSISDBHSA-N 1 3 332.492 2.531 20 0 EFADHO CN1CCC[C@](C)(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC001186945733 1291053541 /nfs/dbraw/zinc/05/35/41/1291053541.db2.gz OZVVBFDGJWQABD-FQEVSTJZSA-N 1 3 329.488 2.887 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186975297 1291066057 /nfs/dbraw/zinc/06/60/57/1291066057.db2.gz KSOVUNSEMZSUSR-GSNCDVCBSA-N 1 3 327.900 2.584 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC/C=C\Cl)C1 ZINC001186975297 1291066065 /nfs/dbraw/zinc/06/60/65/1291066065.db2.gz KSOVUNSEMZSUSR-GSNCDVCBSA-N 1 3 327.900 2.584 20 0 EFADHO CN(C)CCN1CC2(CCC1=O)CC[NH+](CCc1cccs1)CC2 ZINC001273532626 1291078524 /nfs/dbraw/zinc/07/85/24/1291078524.db2.gz LFTNLDPSNKWHJO-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCc1ccccc1CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744437 1312832975 /nfs/dbraw/zinc/83/29/75/1312832975.db2.gz XCEQCVNQOZOSKL-UHFFFAOYSA-N 1 3 347.547 2.865 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877076795 1291127028 /nfs/dbraw/zinc/12/70/28/1291127028.db2.gz QXGDLPWOQKXXGA-HNNXBMFYSA-N 1 3 343.298 2.927 20 0 EFADHO OC1CC[NH+](Cc2ccccc2CNC[C@@H]2CC2(Cl)Cl)CC1 ZINC000877076795 1291127033 /nfs/dbraw/zinc/12/70/33/1291127033.db2.gz QXGDLPWOQKXXGA-HNNXBMFYSA-N 1 3 343.298 2.927 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001187284419 1291137817 /nfs/dbraw/zinc/13/78/17/1291137817.db2.gz UUMFJJKHUKHOGL-GOSISDBHSA-N 1 3 331.504 2.644 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000877130341 1291139400 /nfs/dbraw/zinc/13/94/00/1291139400.db2.gz LDMDFZRMNUYOAQ-ABAIWWIYSA-N 1 3 343.393 2.565 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001187322616 1291143999 /nfs/dbraw/zinc/14/39/99/1291143999.db2.gz PBIKYGGUBMTABO-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001187321945 1291144276 /nfs/dbraw/zinc/14/42/76/1291144276.db2.gz JANOYIPRUNGJBS-MRXNPFEDSA-N 1 3 339.430 2.657 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2cc3ccccc3o2)C1 ZINC001166758484 1312836668 /nfs/dbraw/zinc/83/66/68/1312836668.db2.gz JGGRQUFZVKNVOX-UHFFFAOYSA-N 1 3 343.471 2.761 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2sccc2Cl)C1 ZINC001166759785 1312837229 /nfs/dbraw/zinc/83/72/29/1312837229.db2.gz YDQDANNIWYUTHV-UHFFFAOYSA-N 1 3 343.924 2.729 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764401 1312837764 /nfs/dbraw/zinc/83/77/64/1312837764.db2.gz AWAHMOZNVNGDTI-QGZVFWFLSA-N 1 3 331.504 2.884 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001166765278 1312838209 /nfs/dbraw/zinc/83/82/09/1312838209.db2.gz VWEZJBOSOPNXHM-UHFFFAOYSA-N 1 3 345.531 2.755 20 0 EFADHO CCc1ccccc1CC[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166765312 1312838268 /nfs/dbraw/zinc/83/82/68/1312838268.db2.gz XDMQJBMRIAILIU-UHFFFAOYSA-N 1 3 345.531 2.619 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877403873 1291226270 /nfs/dbraw/zinc/22/62/70/1291226270.db2.gz VWAQWSJMFVNKJW-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001188139664 1291316536 /nfs/dbraw/zinc/31/65/36/1291316536.db2.gz QURRDNJNELOPIV-NUEUPRNCSA-N 1 3 341.499 2.765 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001188139907 1291317130 /nfs/dbraw/zinc/31/71/30/1291317130.db2.gz VATUXXPGURRBPK-MSOLQXFVSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001188145696 1291320268 /nfs/dbraw/zinc/32/02/68/1291320268.db2.gz KFVOBDZNAXESHW-GOSISDBHSA-N 1 3 346.519 2.544 20 0 EFADHO Cn1c2ccc(CN3CCC4(CC3)CC[NH+](C)CC4)cc2sc1=O ZINC000877684092 1291325859 /nfs/dbraw/zinc/32/58/59/1291325859.db2.gz GAZNVCVEMLJDDL-UHFFFAOYSA-N 1 3 345.512 2.908 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001188158693 1291334491 /nfs/dbraw/zinc/33/44/91/1291334491.db2.gz VBHMTYCBPCHSKP-IEBWSBKVSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)COc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC000877745848 1291355650 /nfs/dbraw/zinc/35/56/50/1291355650.db2.gz AVSOKYFJLUSJDP-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@H](C[NH+]1CCC(N2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000877745850 1291356066 /nfs/dbraw/zinc/35/60/66/1291356066.db2.gz AWWFTFUDELPJPU-OAHLLOKOSA-N 1 3 337.458 2.780 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CCNC2=O)CC1 ZINC000877782637 1291375027 /nfs/dbraw/zinc/37/50/27/1291375027.db2.gz HATXGYHHDBYWJK-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CCNC2=O)CC1 ZINC000877782637 1291375036 /nfs/dbraw/zinc/37/50/36/1291375036.db2.gz HATXGYHHDBYWJK-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001166858359 1312855405 /nfs/dbraw/zinc/85/54/05/1312855405.db2.gz RIZQJBIKDIBYEA-UABRLCRWSA-N 1 3 337.895 2.789 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(OCC(C)C)c1)N(C)C ZINC001166865167 1312856338 /nfs/dbraw/zinc/85/63/38/1312856338.db2.gz BPXZWWKPBKKITJ-IBGZPJMESA-N 1 3 349.519 2.658 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109635 1291571878 /nfs/dbraw/zinc/57/18/78/1291571878.db2.gz BKWQAXRKOCVVPP-SLFFLAALSA-N 1 3 343.515 2.840 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001189389347 1291694192 /nfs/dbraw/zinc/69/41/92/1291694192.db2.gz JHPMPVLJBJHPKU-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001189389347 1291694201 /nfs/dbraw/zinc/69/42/01/1291694201.db2.gz JHPMPVLJBJHPKU-LFXAIAOTSA-N 1 3 341.499 2.717 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001189391537 1291695981 /nfs/dbraw/zinc/69/59/81/1291695981.db2.gz ZKEHKBXWWBHROB-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001189391537 1291695989 /nfs/dbraw/zinc/69/59/89/1291695989.db2.gz ZKEHKBXWWBHROB-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957516747 1291698002 /nfs/dbraw/zinc/69/80/02/1291698002.db2.gz BBMUZFLSFHAJKX-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO C[NH+]1CCC(C(=O)NCCC2(CNCC=C(Cl)Cl)CC2)CC1 ZINC001166979265 1312874950 /nfs/dbraw/zinc/87/49/50/1312874950.db2.gz PTODFYWKDCIZNR-UHFFFAOYSA-N 1 3 348.318 2.523 20 0 EFADHO C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878605961 1291731280 /nfs/dbraw/zinc/73/12/80/1291731280.db2.gz LHKRPNAUEVLJSM-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)C1CCC1 ZINC000957561376 1291768374 /nfs/dbraw/zinc/76/83/74/1291768374.db2.gz NXJDDKKUVLBABS-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605451 1291860215 /nfs/dbraw/zinc/86/02/15/1291860215.db2.gz CLZLBXYCCPKDGD-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)CC2)CC1 ZINC000957605968 1291860377 /nfs/dbraw/zinc/86/03/77/1291860377.db2.gz SEYDXSNGDBXEKR-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2)N(C)C ZINC000957606109 1291861571 /nfs/dbraw/zinc/86/15/71/1291861571.db2.gz ZXOAXWFIFKECMG-AVFOEOQDSA-N 1 3 341.927 2.784 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612590 1291880266 /nfs/dbraw/zinc/88/02/66/1291880266.db2.gz PQXGKZZYMGFOID-INIZCTEOSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465078 1312889440 /nfs/dbraw/zinc/88/94/40/1312889440.db2.gz PUTORHGBSCWQFJ-IPMKNSEASA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465078 1312889443 /nfs/dbraw/zinc/88/94/43/1312889443.db2.gz PUTORHGBSCWQFJ-IPMKNSEASA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465938 1312890112 /nfs/dbraw/zinc/89/01/12/1312890112.db2.gz XOPFOKXHWDLHMT-IPMKNSEASA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465938 1312890116 /nfs/dbraw/zinc/89/01/16/1312890116.db2.gz XOPFOKXHWDLHMT-IPMKNSEASA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957645000 1291954439 /nfs/dbraw/zinc/95/44/39/1291954439.db2.gz RADWHOHQMJTTQB-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC000957647329 1291958817 /nfs/dbraw/zinc/95/88/17/1291958817.db2.gz CCJLBONLABBRFR-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000957656902 1291984878 /nfs/dbraw/zinc/98/48/78/1291984878.db2.gz PLEBGGZHXGLRJM-XBMUEBEBSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCN(CC3CCC(C(C)(C)C)CC3)CC2)C1 ZINC000957656902 1291984883 /nfs/dbraw/zinc/98/48/83/1291984883.db2.gz PLEBGGZHXGLRJM-XBMUEBEBSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21)N(C)C ZINC001114795228 1292028648 /nfs/dbraw/zinc/02/86/48/1292028648.db2.gz YNSFBPZWXPZMQN-YDZRNGNQSA-N 1 3 347.547 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21)N(C)C ZINC001114795228 1292028659 /nfs/dbraw/zinc/02/86/59/1292028659.db2.gz YNSFBPZWXPZMQN-YDZRNGNQSA-N 1 3 347.547 2.589 20 0 EFADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248398 1292040495 /nfs/dbraw/zinc/04/04/95/1292040495.db2.gz MKIVVQTXPMPBQC-KRWDZBQOSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248572 1292040515 /nfs/dbraw/zinc/04/05/15/1292040515.db2.gz PQMLTYQFILQILI-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248115 1292040952 /nfs/dbraw/zinc/04/09/52/1292040952.db2.gz ISACGVSEVLCWIT-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](C1CC1)N(C(=O)CN1CCC2(CC1)CC[NH+](C)CC2)C1CC1 ZINC000879248549 1292041008 /nfs/dbraw/zinc/04/10/08/1292041008.db2.gz VYNDRGWUESCANQ-MRXNPFEDSA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+]1CCC2(CCN([C@@H]3CCCN(CC(C)(C)C)C3=O)CC2)CC1 ZINC000879249814 1292042905 /nfs/dbraw/zinc/04/29/05/1292042905.db2.gz CANYTZJOJBIVAS-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)cc1CN1CCCCC1 ZINC000775374892 1292136664 /nfs/dbraw/zinc/13/66/64/1292136664.db2.gz GAUHWPJLICKBLV-APWZRJJASA-N 1 3 348.487 2.747 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC(C)C)CC2 ZINC001016652560 1312905464 /nfs/dbraw/zinc/90/54/64/1312905464.db2.gz UFVVNLUCIDSPCZ-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@H](NCc2ccccc2Cl)C12CCC2 ZINC001203360268 1312912631 /nfs/dbraw/zinc/91/26/31/1312912631.db2.gz WKYDPSPORKUBHB-DLBZAZTESA-N 1 3 349.906 2.809 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203326048 1312907948 /nfs/dbraw/zinc/90/79/48/1312907948.db2.gz RZLSRAJZZYMZSB-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCCc3ccsc3)C2)CCC1 ZINC001190644844 1292261509 /nfs/dbraw/zinc/26/15/09/1292261509.db2.gz NHAHRNKHNKIQTE-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCCc3ccsc3)C2)CCC1 ZINC001190644844 1292261518 /nfs/dbraw/zinc/26/15/18/1292261518.db2.gz NHAHRNKHNKIQTE-KRWDZBQOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655553 1292268946 /nfs/dbraw/zinc/26/89/46/1292268946.db2.gz QDFWJXIIKSNIMR-LSDHHAIUSA-N 1 3 349.441 2.592 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655553 1292268957 /nfs/dbraw/zinc/26/89/57/1292268957.db2.gz QDFWJXIIKSNIMR-LSDHHAIUSA-N 1 3 349.441 2.592 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1)C1CCC1 ZINC001190674457 1292281127 /nfs/dbraw/zinc/28/11/27/1292281127.db2.gz AQFQRTMTTPPGGN-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1)C1CCC1 ZINC001190674457 1292281129 /nfs/dbraw/zinc/28/11/29/1292281129.db2.gz AQFQRTMTTPPGGN-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001190899083 1292370943 /nfs/dbraw/zinc/37/09/43/1292370943.db2.gz HAACVFVYWLPDAD-LRHIHOEBSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001190899083 1292370948 /nfs/dbraw/zinc/37/09/48/1292370948.db2.gz HAACVFVYWLPDAD-LRHIHOEBSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001190899381 1292371264 /nfs/dbraw/zinc/37/12/64/1292371264.db2.gz JFRLJVHDHWTAPK-VQTJNVASSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001190899381 1292371274 /nfs/dbraw/zinc/37/12/74/1292371274.db2.gz JFRLJVHDHWTAPK-VQTJNVASSA-N 1 3 345.531 2.882 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191020535 1292429275 /nfs/dbraw/zinc/42/92/75/1292429275.db2.gz XOUKRIWRSTWRQK-XGCMIMOYSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191020535 1292429283 /nfs/dbraw/zinc/42/92/83/1292429283.db2.gz XOUKRIWRSTWRQK-XGCMIMOYSA-N 1 3 343.515 2.963 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191030497 1292433610 /nfs/dbraw/zinc/43/36/10/1292433610.db2.gz UAMRGAOWWUBRIF-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191030497 1292433616 /nfs/dbraw/zinc/43/36/16/1292433616.db2.gz UAMRGAOWWUBRIF-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001049504506 1312936349 /nfs/dbraw/zinc/93/63/49/1312936349.db2.gz HECOTCXRJLOMBD-GBESFXJTSA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC=C(C)C ZINC001049504506 1312936353 /nfs/dbraw/zinc/93/63/53/1312936353.db2.gz HECOTCXRJLOMBD-GBESFXJTSA-N 1 3 333.520 2.892 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3csc(C)c3)C[C@H]21)[NH+](CC)CC ZINC001114828944 1292642675 /nfs/dbraw/zinc/64/26/75/1292642675.db2.gz NLWGIRTYMPDAAT-XWTMOSNGSA-N 1 3 349.544 2.723 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203515217 1312942965 /nfs/dbraw/zinc/94/29/65/1312942965.db2.gz REEYLZIFWWAQQE-ZWKOTPCHSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203515186 1312943295 /nfs/dbraw/zinc/94/32/95/1312943295.db2.gz QMWHILDTCHPFRC-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203522807 1312945571 /nfs/dbraw/zinc/94/55/71/1312945571.db2.gz OTWQMBUIBPILIM-RBUKOAKNSA-N 1 3 343.515 2.588 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203522713 1312945605 /nfs/dbraw/zinc/94/56/05/1312945605.db2.gz OCVFMTAGVIDOBJ-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203522745 1312945737 /nfs/dbraw/zinc/94/57/37/1312945737.db2.gz OCXJSPSNIRUJKQ-DLBZAZTESA-N 1 3 349.544 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203524588 1312945931 /nfs/dbraw/zinc/94/59/31/1312945931.db2.gz XDQUELXIHDFZLQ-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998673 1292735476 /nfs/dbraw/zinc/73/54/76/1292735476.db2.gz PVLMSHLNHVPGSP-QPGLYAHGSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccnc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001276321557 1292752210 /nfs/dbraw/zinc/75/22/10/1292752210.db2.gz MLGBIFOLAQXFSW-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ccnc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001276321557 1292752220 /nfs/dbraw/zinc/75/22/20/1292752220.db2.gz MLGBIFOLAQXFSW-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Fc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276328568 1292796888 /nfs/dbraw/zinc/79/68/88/1292796888.db2.gz SGSXGCPIJIDCBD-CALCHBBNSA-N 1 3 328.435 2.893 20 0 EFADHO Fc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276328568 1292796892 /nfs/dbraw/zinc/79/68/92/1292796892.db2.gz SGSXGCPIJIDCBD-CALCHBBNSA-N 1 3 328.435 2.893 20 0 EFADHO COc1cncc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276329000 1292826258 /nfs/dbraw/zinc/82/62/58/1292826258.db2.gz GAPGWLWYXXFAIE-HDICACEKSA-N 1 3 340.471 2.762 20 0 EFADHO COc1cncc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276329000 1292826278 /nfs/dbraw/zinc/82/62/78/1292826278.db2.gz GAPGWLWYXXFAIE-HDICACEKSA-N 1 3 340.471 2.762 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001192344837 1292862093 /nfs/dbraw/zinc/86/20/93/1292862093.db2.gz ZPPAWMATGNKYKK-QUCCMNQESA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001192344837 1292862106 /nfs/dbraw/zinc/86/21/06/1292862106.db2.gz ZPPAWMATGNKYKK-QUCCMNQESA-N 1 3 343.515 2.636 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001192327288 1292870158 /nfs/dbraw/zinc/87/01/58/1292870158.db2.gz ZGUKLYGQXMBFBF-OALUTQOASA-N 1 3 349.494 2.979 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001192386512 1292885671 /nfs/dbraw/zinc/88/56/71/1292885671.db2.gz PQQOEXUUSFAEFL-SFHVURJKSA-N 1 3 331.504 2.697 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001192386512 1292885685 /nfs/dbraw/zinc/88/56/85/1292885685.db2.gz PQQOEXUUSFAEFL-SFHVURJKSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001192385406 1292887929 /nfs/dbraw/zinc/88/79/29/1292887929.db2.gz HAACVFVYWLPDAD-VXIIIQHTSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001192385406 1292887936 /nfs/dbraw/zinc/88/79/36/1292887936.db2.gz HAACVFVYWLPDAD-VXIIIQHTSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203578145 1312962264 /nfs/dbraw/zinc/96/22/64/1312962264.db2.gz UFNUDHBMUBELRB-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203578145 1312962267 /nfs/dbraw/zinc/96/22/67/1312962267.db2.gz UFNUDHBMUBELRB-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203578144 1312962598 /nfs/dbraw/zinc/96/25/98/1312962598.db2.gz UFNUDHBMUBELRB-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203578144 1312962601 /nfs/dbraw/zinc/96/26/01/1312962601.db2.gz UFNUDHBMUBELRB-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001095903955 1292924532 /nfs/dbraw/zinc/92/45/32/1292924532.db2.gz SZIZITRPDHLKEI-RDGPPVDQSA-N 1 3 333.520 2.796 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001095903955 1292924539 /nfs/dbraw/zinc/92/45/39/1292924539.db2.gz SZIZITRPDHLKEI-RDGPPVDQSA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@@H](F)CN1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760866 1312963752 /nfs/dbraw/zinc/96/37/52/1312963752.db2.gz CXHXXXUAQBFFOF-CVEARBPZSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016762334 1312964752 /nfs/dbraw/zinc/96/47/52/1312964752.db2.gz ZFWJIHFEXVEHBB-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001192948208 1293108126 /nfs/dbraw/zinc/10/81/26/1293108126.db2.gz QKWGZNJOWAUAMG-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001192948208 1293108133 /nfs/dbraw/zinc/10/81/33/1293108133.db2.gz QKWGZNJOWAUAMG-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001192948931 1293109686 /nfs/dbraw/zinc/10/96/86/1293109686.db2.gz YFYSHHZTOKXTBC-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001192948931 1293109691 /nfs/dbraw/zinc/10/96/91/1293109691.db2.gz YFYSHHZTOKXTBC-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001192970739 1293127030 /nfs/dbraw/zinc/12/70/30/1293127030.db2.gz YMZJIVNMBBUBIV-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001192970739 1293127033 /nfs/dbraw/zinc/12/70/33/1293127033.db2.gz YMZJIVNMBBUBIV-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970357 1293127165 /nfs/dbraw/zinc/12/71/65/1293127165.db2.gz RYGSHCDJQFEHRM-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970357 1293127168 /nfs/dbraw/zinc/12/71/68/1293127168.db2.gz RYGSHCDJQFEHRM-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(C)c2)C1 ZINC001192970737 1293127873 /nfs/dbraw/zinc/12/78/73/1293127873.db2.gz YKTDPQZAAAKZFZ-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(C)c2)C1 ZINC001192970737 1293127875 /nfs/dbraw/zinc/12/78/75/1293127875.db2.gz YKTDPQZAAAKZFZ-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192970552 1293127898 /nfs/dbraw/zinc/12/78/98/1293127898.db2.gz VDYXHRGCEKIUSS-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192970552 1293127902 /nfs/dbraw/zinc/12/79/02/1293127902.db2.gz VDYXHRGCEKIUSS-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001192969658 1293128168 /nfs/dbraw/zinc/12/81/68/1293128168.db2.gz LYXUYDAGNLDOKI-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001192969658 1293128169 /nfs/dbraw/zinc/12/81/69/1293128169.db2.gz LYXUYDAGNLDOKI-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203652113 1312982001 /nfs/dbraw/zinc/98/20/01/1312982001.db2.gz RSBSODSCLYFMPK-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203642177 1312979348 /nfs/dbraw/zinc/97/93/48/1312979348.db2.gz WSEIGWYREAZPPQ-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCC/C=C\CC[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026529 1293144988 /nfs/dbraw/zinc/14/49/88/1293144988.db2.gz KQINCAGKAMPOIE-RURPWVQCSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C\CC[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026529 1293144991 /nfs/dbraw/zinc/14/49/91/1293144991.db2.gz KQINCAGKAMPOIE-RURPWVQCSA-N 1 3 335.536 2.997 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203649650 1312980648 /nfs/dbraw/zinc/98/06/48/1312980648.db2.gz CWRYFELTBAKXIH-ZWKOTPCHSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203651195 1312981232 /nfs/dbraw/zinc/98/12/32/1312981232.db2.gz MEHBLGJYBMUUKN-IRXDYDNUSA-N 1 3 349.544 2.649 20 0 EFADHO CCc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273651904 1293165780 /nfs/dbraw/zinc/16/57/80/1293165780.db2.gz WQTFGTZBTRCFJA-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273651904 1293165784 /nfs/dbraw/zinc/16/57/84/1293165784.db2.gz WQTFGTZBTRCFJA-OAQYLSRUSA-N 1 3 343.515 2.768 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203652555 1312981824 /nfs/dbraw/zinc/98/18/24/1312981824.db2.gz VPKKBHVXHIPJHP-OALUTQOASA-N 1 3 343.515 2.588 20 0 EFADHO CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661380 1312983714 /nfs/dbraw/zinc/98/37/14/1312983714.db2.gz UPQAZNWOMBZKIC-DLBZAZTESA-N 1 3 332.492 2.858 20 0 EFADHO CC1([NH+]2CCC2)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000882502525 1293228021 /nfs/dbraw/zinc/22/80/21/1293228021.db2.gz KXNAVSYSSBHJCG-IBGZPJMESA-N 1 3 341.499 2.738 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193278613 1293231651 /nfs/dbraw/zinc/23/16/51/1293231651.db2.gz IFIKWOJDMHKBGY-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193278613 1293231654 /nfs/dbraw/zinc/23/16/54/1293231654.db2.gz IFIKWOJDMHKBGY-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193292152 1293238812 /nfs/dbraw/zinc/23/88/12/1293238812.db2.gz MVIJNXKVOBUDFA-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001193292152 1293238818 /nfs/dbraw/zinc/23/88/18/1293238818.db2.gz MVIJNXKVOBUDFA-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193292888 1293239488 /nfs/dbraw/zinc/23/94/88/1293239488.db2.gz VPGSYPCSINBDRA-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2ccc(CF)cc2)C1 ZINC001193292888 1293239494 /nfs/dbraw/zinc/23/94/94/1293239494.db2.gz VPGSYPCSINBDRA-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001193292669 1293240666 /nfs/dbraw/zinc/24/06/66/1293240666.db2.gz RMJAMICENBKRAY-QGZVFWFLSA-N 1 3 343.471 2.807 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001193292669 1293240675 /nfs/dbraw/zinc/24/06/75/1293240675.db2.gz RMJAMICENBKRAY-QGZVFWFLSA-N 1 3 343.471 2.807 20 0 EFADHO Cc1cncc(Br)c1CN1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205636625 1293341048 /nfs/dbraw/zinc/34/10/48/1293341048.db2.gz DVBDICCUAJDNFR-WCQYABFASA-N 1 3 326.282 2.959 20 0 EFADHO Cc1cncc(Br)c1CN1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205636634 1293341884 /nfs/dbraw/zinc/34/18/84/1293341884.db2.gz DVBDICCUAJDNFR-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001193610443 1293363661 /nfs/dbraw/zinc/36/36/61/1293363661.db2.gz PFWKAIUGDGLJLR-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001193610443 1293363662 /nfs/dbraw/zinc/36/36/62/1293363662.db2.gz PFWKAIUGDGLJLR-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO Cc1ccccc1CCC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203714254 1312996384 /nfs/dbraw/zinc/99/63/84/1312996384.db2.gz JXUNIFFFNJDZQO-UHFFFAOYSA-N 1 3 343.515 2.604 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001193621892 1293371543 /nfs/dbraw/zinc/37/15/43/1293371543.db2.gz JKTFTGYDCFFPNA-SFHVURJKSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001193621892 1293371548 /nfs/dbraw/zinc/37/15/48/1293371548.db2.gz JKTFTGYDCFFPNA-SFHVURJKSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193630880 1293375891 /nfs/dbraw/zinc/37/58/91/1293375891.db2.gz PZISKENIYNDPFI-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccccc2C)C1 ZINC001193630880 1293375898 /nfs/dbraw/zinc/37/58/98/1293375898.db2.gz PZISKENIYNDPFI-QZTJIDSGSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001193640842 1293379600 /nfs/dbraw/zinc/37/96/00/1293379600.db2.gz FROTZYJOZFQTMT-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001193640842 1293379607 /nfs/dbraw/zinc/37/96/07/1293379607.db2.gz FROTZYJOZFQTMT-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001193643015 1293381770 /nfs/dbraw/zinc/38/17/70/1293381770.db2.gz PKMKDPCGMSLMSW-IEBWSBKVSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001193643015 1293381776 /nfs/dbraw/zinc/38/17/76/1293381776.db2.gz PKMKDPCGMSLMSW-IEBWSBKVSA-N 1 3 329.488 2.548 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001193642020 1293382848 /nfs/dbraw/zinc/38/28/48/1293382848.db2.gz KRPUMOQVZNDJAN-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001193642020 1293382853 /nfs/dbraw/zinc/38/28/53/1293382853.db2.gz KRPUMOQVZNDJAN-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001193642418 1293382990 /nfs/dbraw/zinc/38/29/90/1293382990.db2.gz NTICKOSBFLNZOF-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001193642418 1293382996 /nfs/dbraw/zinc/38/29/96/1293382996.db2.gz NTICKOSBFLNZOF-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001193643720 1293383739 /nfs/dbraw/zinc/38/37/39/1293383739.db2.gz ZKQPERKHBNCVJX-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001193643720 1293383747 /nfs/dbraw/zinc/38/37/47/1293383747.db2.gz ZKQPERKHBNCVJX-BEFAXECRSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193643596 1293385142 /nfs/dbraw/zinc/38/51/42/1293385142.db2.gz XMIIIGARRQFDLB-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193643596 1293385151 /nfs/dbraw/zinc/38/51/51/1293385151.db2.gz XMIIIGARRQFDLB-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001193643328 1293385444 /nfs/dbraw/zinc/38/54/44/1293385444.db2.gz SNFMZCFBJVZOBS-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001193643328 1293385453 /nfs/dbraw/zinc/38/54/53/1293385453.db2.gz SNFMZCFBJVZOBS-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCc2ccc(CC)cc2)C1 ZINC001193643102 1293385573 /nfs/dbraw/zinc/38/55/73/1293385573.db2.gz RRCNFSXMPLDCKN-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccc(CC)cc2)C1 ZINC001193643102 1293385582 /nfs/dbraw/zinc/38/55/82/1293385582.db2.gz RRCNFSXMPLDCKN-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193601094 1293387912 /nfs/dbraw/zinc/38/79/12/1293387912.db2.gz RVWRRJMCJBODRZ-ZBWUASRJSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193601094 1293387922 /nfs/dbraw/zinc/38/79/22/1293387922.db2.gz RVWRRJMCJBODRZ-ZBWUASRJSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001016826694 1312999565 /nfs/dbraw/zinc/99/95/65/1312999565.db2.gz RSQNNRGYXMAEOE-HKUYNNGSSA-N 1 3 345.531 2.799 20 0 EFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001096545815 1312999775 /nfs/dbraw/zinc/99/97/75/1312999775.db2.gz PHXJFDAPGWZRFK-QVYSETLCSA-N 1 3 339.483 2.517 20 0 EFADHO O=C(CN1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001096545815 1312999778 /nfs/dbraw/zinc/99/97/78/1312999778.db2.gz PHXJFDAPGWZRFK-QVYSETLCSA-N 1 3 339.483 2.517 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001016829733 1313000795 /nfs/dbraw/zinc/00/07/95/1313000795.db2.gz NFUPUIHKXIZCSD-FUHWJXTLSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016829219 1313000847 /nfs/dbraw/zinc/00/08/47/1313000847.db2.gz LKGSGWLVRKXDLJ-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016829190 1313001014 /nfs/dbraw/zinc/00/10/14/1313001014.db2.gz KQSSSEXOEBNTTH-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096547450 1313003516 /nfs/dbraw/zinc/00/35/16/1313003516.db2.gz PAQIACJBSAOBFG-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547450 1313003518 /nfs/dbraw/zinc/00/35/18/1313003518.db2.gz PAQIACJBSAOBFG-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547450 1313003521 /nfs/dbraw/zinc/00/35/21/1313003521.db2.gz PAQIACJBSAOBFG-VLQPXKRTSA-N 1 3 345.462 2.704 20 0 EFADHO C[N@H+](CC/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041106 1293509493 /nfs/dbraw/zinc/50/94/93/1293509493.db2.gz USIAMGMMBKKPDA-XGHQVWIYSA-N 1 3 341.499 2.718 20 0 EFADHO C[N@@H+](CC/C=C/c1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041106 1293509499 /nfs/dbraw/zinc/50/94/99/1293509499.db2.gz USIAMGMMBKKPDA-XGHQVWIYSA-N 1 3 341.499 2.718 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228691 1293548358 /nfs/dbraw/zinc/54/83/58/1293548358.db2.gz SKRPONHQJDFGDV-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194238139 1293566108 /nfs/dbraw/zinc/56/61/08/1293566108.db2.gz KBJVLTGZWFHRGZ-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194238139 1293566112 /nfs/dbraw/zinc/56/61/12/1293566112.db2.gz KBJVLTGZWFHRGZ-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246719 1293570139 /nfs/dbraw/zinc/57/01/39/1293570139.db2.gz QMHNESBPGIIQRB-RDJZCZTQSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246719 1293570143 /nfs/dbraw/zinc/57/01/43/1293570143.db2.gz QMHNESBPGIIQRB-RDJZCZTQSA-N 1 3 335.467 2.643 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203792990 1293577021 /nfs/dbraw/zinc/57/70/21/1293577021.db2.gz RGKMUKVLKVVSQW-STQMWFEESA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001194285857 1293589193 /nfs/dbraw/zinc/58/91/93/1293589193.db2.gz SYKAFGMRXWQWHP-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001194285857 1293589198 /nfs/dbraw/zinc/58/91/98/1293589198.db2.gz SYKAFGMRXWQWHP-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001194293817 1293591871 /nfs/dbraw/zinc/59/18/71/1293591871.db2.gz JMSMAKZQLPOVSW-BEFAXECRSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001194293817 1293591876 /nfs/dbraw/zinc/59/18/76/1293591876.db2.gz JMSMAKZQLPOVSW-BEFAXECRSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194295964 1293593880 /nfs/dbraw/zinc/59/38/80/1293593880.db2.gz SDRYKTLMXASEMD-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194295964 1293593889 /nfs/dbraw/zinc/59/38/89/1293593889.db2.gz SDRYKTLMXASEMD-LJQANCHMSA-N 1 3 331.504 2.676 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016859761 1313014192 /nfs/dbraw/zinc/01/41/92/1313014192.db2.gz CIAIQMFBOSXAQD-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001016861986 1313015682 /nfs/dbraw/zinc/01/56/82/1313015682.db2.gz QSIMCLDXMVZHME-IAGOWNOFSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)N1CCCCCC1 ZINC001016861034 1313015937 /nfs/dbraw/zinc/01/59/37/1313015937.db2.gz MTDWACCGZQFGEI-SJORKVTESA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203791086 1313016663 /nfs/dbraw/zinc/01/66/63/1313016663.db2.gz CIHNFWUCRYXCBN-ZWKOTPCHSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203792430 1313016898 /nfs/dbraw/zinc/01/68/98/1313016898.db2.gz PFQMZQQMVOEFHM-ZWKOTPCHSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)cc1 ZINC001203792265 1313017347 /nfs/dbraw/zinc/01/73/47/1313017347.db2.gz NWENJGSRLLHZHD-RBUKOAKNSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203794544 1313017576 /nfs/dbraw/zinc/01/75/76/1313017576.db2.gz XILUWLVNBUOZOD-ROUUACIJSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203794103 1313017828 /nfs/dbraw/zinc/01/78/28/1313017828.db2.gz USKHMJUGLSKXRC-ZWKOTPCHSA-N 1 3 335.536 2.924 20 0 EFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cccc(C(F)(F)F)c1 ZINC001203882974 1313040824 /nfs/dbraw/zinc/04/08/24/1313040824.db2.gz ABWMRIMQPVNYST-DLBZAZTESA-N 1 3 341.421 2.916 20 0 EFADHO CC[C@H](F)C[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203887345 1313041071 /nfs/dbraw/zinc/04/10/71/1313041071.db2.gz AOQYYTQJMVHDSU-KRWDZBQOSA-N 1 3 335.467 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]Cc2cccc(Cl)c2)c1 ZINC001152236521 1294003204 /nfs/dbraw/zinc/00/32/04/1294003204.db2.gz AJISVBWHSAIIKY-UHFFFAOYSA-N 1 3 345.874 2.921 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001203932906 1313050691 /nfs/dbraw/zinc/05/06/91/1313050691.db2.gz QVXWXMCGUQDEBO-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001203925826 1313048373 /nfs/dbraw/zinc/04/83/73/1313048373.db2.gz VSGADEFLNQCFDO-UHFFFAOYSA-N 1 3 342.487 2.589 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866070 1294063994 /nfs/dbraw/zinc/06/39/94/1294063994.db2.gz UQOHISIXCCDBNJ-FKDQEEMOSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195866070 1294063997 /nfs/dbraw/zinc/06/39/97/1294063997.db2.gz UQOHISIXCCDBNJ-FKDQEEMOSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1F ZINC001203925867 1313048561 /nfs/dbraw/zinc/04/85/61/1313048561.db2.gz WZZBZAPECWEXOY-UHFFFAOYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203932246 1313049545 /nfs/dbraw/zinc/04/95/45/1313049545.db2.gz ATXSHZSRONCSJC-KRWDZBQOSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001203932905 1313050595 /nfs/dbraw/zinc/05/05/95/1313050595.db2.gz QVXWXMCGUQDEBO-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196200571 1294161156 /nfs/dbraw/zinc/16/11/56/1294161156.db2.gz LVTOFWNPKKUSPZ-QGZVFWFLSA-N 1 3 327.488 2.535 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196200571 1294161157 /nfs/dbraw/zinc/16/11/57/1294161157.db2.gz LVTOFWNPKKUSPZ-QGZVFWFLSA-N 1 3 327.488 2.535 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196274718 1294188662 /nfs/dbraw/zinc/18/86/62/1294188662.db2.gz AQYGSYNVVUZWMV-YQHFQFMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196274718 1294188664 /nfs/dbraw/zinc/18/86/64/1294188664.db2.gz AQYGSYNVVUZWMV-YQHFQFMOSA-N 1 3 333.520 2.894 20 0 EFADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCCN(CCCCCF)CC1 ZINC001196275694 1294189689 /nfs/dbraw/zinc/18/96/89/1294189689.db2.gz LPDZEIXVMBADDY-ZWKOTPCHSA-N 1 3 339.499 2.677 20 0 EFADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CCCN(CCCCCF)CC1 ZINC001196275694 1294189690 /nfs/dbraw/zinc/18/96/90/1294189690.db2.gz LPDZEIXVMBADDY-ZWKOTPCHSA-N 1 3 339.499 2.677 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388260 1294220265 /nfs/dbraw/zinc/22/02/65/1294220265.db2.gz GCLFZUJUBMWMFW-ZMBJWTFHSA-N 1 3 335.536 2.997 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001196388260 1294220268 /nfs/dbraw/zinc/22/02/68/1294220268.db2.gz GCLFZUJUBMWMFW-ZMBJWTFHSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccc(CC[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001273722023 1294253478 /nfs/dbraw/zinc/25/34/78/1294253478.db2.gz ZQQVHEGASQNGEF-OAQYLSRUSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001273722023 1294253486 /nfs/dbraw/zinc/25/34/86/1294253486.db2.gz ZQQVHEGASQNGEF-OAQYLSRUSA-N 1 3 343.515 2.556 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CCCN(CCCCCF)CC2)CCCC1 ZINC001196655622 1294323013 /nfs/dbraw/zinc/32/30/13/1294323013.db2.gz ICFIPTQPYJGKBS-UHFFFAOYSA-N 1 3 341.515 2.925 20 0 EFADHO CCc1ccccc1CCN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970468 1294413959 /nfs/dbraw/zinc/41/39/59/1294413959.db2.gz GOZGIKNCHDZODF-UHFFFAOYSA-N 1 3 345.531 2.668 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943609 1294418810 /nfs/dbraw/zinc/41/88/10/1294418810.db2.gz RPSBWUDWWZLHBB-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCCC1 ZINC000958788099 1294486844 /nfs/dbraw/zinc/48/68/44/1294486844.db2.gz SBGZBFILEANHRM-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCCC1 ZINC000958788098 1294487353 /nfs/dbraw/zinc/48/73/53/1294487353.db2.gz SBGZBFILEANHRM-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccnc2ccccc12 ZINC001204088005 1313079238 /nfs/dbraw/zinc/07/92/38/1313079238.db2.gz VIACZSHCPMTNSQ-UHFFFAOYSA-N 1 3 329.444 2.552 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccnc2ccccc12 ZINC001204088005 1313079241 /nfs/dbraw/zinc/07/92/41/1313079241.db2.gz VIACZSHCPMTNSQ-UHFFFAOYSA-N 1 3 329.444 2.552 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)C(C)(C)N1CCCC1 ZINC000958795802 1294495881 /nfs/dbraw/zinc/49/58/81/1294495881.db2.gz VNPDUFDNQOSXGY-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1 ZINC000958803270 1294504065 /nfs/dbraw/zinc/50/40/65/1294504065.db2.gz QEBLYCKEBILPEE-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCCN1CC ZINC000958809077 1294512069 /nfs/dbraw/zinc/51/20/69/1294512069.db2.gz BBAVWYLJUJFWTH-RTBURBONSA-N 1 3 329.488 2.596 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396874 1294529259 /nfs/dbraw/zinc/52/92/59/1294529259.db2.gz RUFLQRGGDSSTJR-YQHFQFMOSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396874 1294529269 /nfs/dbraw/zinc/52/92/69/1294529269.db2.gz RUFLQRGGDSSTJR-YQHFQFMOSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ncc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)s1 ZINC001276349851 1294543658 /nfs/dbraw/zinc/54/36/58/1294543658.db2.gz ZRVOJFKIJKQMMR-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO Cc1ncc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)s1 ZINC001276349851 1294543664 /nfs/dbraw/zinc/54/36/64/1294543664.db2.gz ZRVOJFKIJKQMMR-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)C(C)C ZINC001197484677 1294563572 /nfs/dbraw/zinc/56/35/72/1294563572.db2.gz HYDGGGRPAQSQLI-SJORKVTESA-N 1 3 329.504 2.635 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049615693 1313090072 /nfs/dbraw/zinc/09/00/72/1313090072.db2.gz NIGGILOREQLIPW-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049615693 1313090076 /nfs/dbraw/zinc/09/00/76/1313090076.db2.gz NIGGILOREQLIPW-ZCNNSNEGSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049616131 1313090468 /nfs/dbraw/zinc/09/04/68/1313090468.db2.gz RMKWNVXDHQUJFD-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049616131 1313090473 /nfs/dbraw/zinc/09/04/73/1313090473.db2.gz RMKWNVXDHQUJFD-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2cc(C)ccc2C)CC1 ZINC001197707928 1294683191 /nfs/dbraw/zinc/68/31/91/1294683191.db2.gz RMJQJIRSENIMMA-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2cc(C)ccc2C)CC1 ZINC001197707928 1294683199 /nfs/dbraw/zinc/68/31/99/1294683199.db2.gz RMJQJIRSENIMMA-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CCc1ccc(CN2CCC[C@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001204176391 1313096631 /nfs/dbraw/zinc/09/66/31/1313096631.db2.gz PZBUAAYNVAIDMK-NRFANRHFSA-N 1 3 346.515 2.810 20 0 EFADHO CCc1ccc(CN2CCC[C@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001204176391 1313096635 /nfs/dbraw/zinc/09/66/35/1313096635.db2.gz PZBUAAYNVAIDMK-NRFANRHFSA-N 1 3 346.515 2.810 20 0 EFADHO CN(C)CCN1c2ccccc2C2(CC[NH+](CCCCF)CC2)C1=O ZINC001273755349 1294767642 /nfs/dbraw/zinc/76/76/42/1294767642.db2.gz MXIRAYNKEQVBEH-UHFFFAOYSA-N 1 3 347.478 2.678 20 0 EFADHO CN(CCOc1ccc(Cl)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717607 1313111371 /nfs/dbraw/zinc/11/13/71/1313111371.db2.gz BLEXNGCFGVPORJ-QGZVFWFLSA-N 1 3 338.879 2.809 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@]3(CCC(=O)O3)C2)cc1 ZINC001204271346 1313112402 /nfs/dbraw/zinc/11/24/02/1313112402.db2.gz JGFSPQNFMJAUMK-HXUWFJFHSA-N 1 3 346.471 2.689 20 0 EFADHO CN(CCOc1cccc(Cl)c1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718844 1313112954 /nfs/dbraw/zinc/11/29/54/1313112954.db2.gz RYFQWEYYYYAZNH-QGZVFWFLSA-N 1 3 338.879 2.809 20 0 EFADHO CN(Cc1ccc(OC(F)F)cc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718370 1313113118 /nfs/dbraw/zinc/11/31/18/1313113118.db2.gz LLRRXYLBCHVQJC-MRXNPFEDSA-N 1 3 340.414 2.879 20 0 EFADHO COc1ccc(CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903718831 1313113394 /nfs/dbraw/zinc/11/33/94/1313113394.db2.gz RLPUTDOBLJNXKD-IBGZPJMESA-N 1 3 330.472 2.818 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258939 1294960029 /nfs/dbraw/zinc/96/00/29/1294960029.db2.gz GUVSPAKKIXZABP-SFFCAUCYSA-N 1 3 335.536 2.997 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N1CCCN(CCCCCF)CC1 ZINC001198364015 1295005581 /nfs/dbraw/zinc/00/55/81/1295005581.db2.gz KAHCGCUEELTSDC-UHFFFAOYSA-N 1 3 341.515 2.927 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364022 1295006103 /nfs/dbraw/zinc/00/61/03/1295006103.db2.gz KGCYSAOQYLQWSF-KRWDZBQOSA-N 1 3 327.488 2.535 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636560 1313119250 /nfs/dbraw/zinc/11/92/50/1313119250.db2.gz CVXICZFWYCTBKK-BBWFWOEESA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049636560 1313119253 /nfs/dbraw/zinc/11/92/53/1313119253.db2.gz CVXICZFWYCTBKK-BBWFWOEESA-N 1 3 339.499 2.674 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001203903848 1295026540 /nfs/dbraw/zinc/02/65/40/1295026540.db2.gz PMEIKYLXBGVTAO-KRWDZBQOSA-N 1 3 327.488 2.581 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001152452210 1295057706 /nfs/dbraw/zinc/05/77/06/1295057706.db2.gz WROYOYTXPDKQQT-QZTJIDSGSA-N 1 3 349.906 2.908 20 0 EFADHO c1ccc(CN(C[C@H]2CCCO2)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903726968 1313124266 /nfs/dbraw/zinc/12/42/66/1313124266.db2.gz PRKQTWWTLRZTNO-WOJBJXKFSA-N 1 3 344.499 2.826 20 0 EFADHO Cc1cnsc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276461221 1313133126 /nfs/dbraw/zinc/13/31/26/1313133126.db2.gz FWPIRGOWXNRZPB-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1cnsc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276461221 1313133127 /nfs/dbraw/zinc/13/31/27/1313133127.db2.gz FWPIRGOWXNRZPB-SFHVURJKSA-N 1 3 336.549 2.691 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NC(C)C ZINC001198723317 1295205368 /nfs/dbraw/zinc/20/53/68/1295205368.db2.gz DNKZQGRRUNZIRK-QZTJIDSGSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NC(C)C ZINC001198723317 1295205379 /nfs/dbraw/zinc/20/53/79/1295205379.db2.gz DNKZQGRRUNZIRK-QZTJIDSGSA-N 1 3 347.503 2.723 20 0 EFADHO CCN[C@@H](CNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1OC ZINC001198805969 1295271102 /nfs/dbraw/zinc/27/11/02/1295271102.db2.gz NXGJVOGIPWLKIV-KRWDZBQOSA-N 1 3 347.503 2.727 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134997 1295288222 /nfs/dbraw/zinc/28/82/22/1295288222.db2.gz UERLENNXRZMOFJ-MBOZVWFJSA-N 1 3 325.456 2.757 20 0 EFADHO CCN[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895900 1295298630 /nfs/dbraw/zinc/29/86/30/1295298630.db2.gz XXUUTDQOVMCOPM-IAGOWNOFSA-N 1 3 335.492 2.582 20 0 EFADHO CCC[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1OC ZINC001198902845 1295303786 /nfs/dbraw/zinc/30/37/86/1295303786.db2.gz QOJIIPZHBQDXOX-KRWDZBQOSA-N 1 3 349.519 2.830 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)C)c1ccccc1OC)N(C)C ZINC001198903216 1295307017 /nfs/dbraw/zinc/30/70/17/1295307017.db2.gz WXZCEZGAPMRUGS-ROUUACIJSA-N 1 3 349.519 2.828 20 0 EFADHO CCCCCN[C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198866993 1295307586 /nfs/dbraw/zinc/30/75/86/1295307586.db2.gz WEKDTANAIUPGTC-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO Cc1csc(C2(NC[C@H]3CC4(CO3)CC[NH2+]CC4)CCCC2)n1 ZINC000903740516 1313146742 /nfs/dbraw/zinc/14/67/42/1313146742.db2.gz IHXVJRWRCJXGNM-OAHLLOKOSA-N 1 3 335.517 2.969 20 0 EFADHO CCCCN[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885763 1295318832 /nfs/dbraw/zinc/31/88/32/1295318832.db2.gz RMUFFFJICCLFEU-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO Cc1nc2c(s1)[C@H](N(C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903739200 1313144622 /nfs/dbraw/zinc/14/46/22/1313144622.db2.gz FCZIOOVUAYVMIF-GDBMZVCRSA-N 1 3 335.517 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC001198969000 1295365792 /nfs/dbraw/zinc/36/57/92/1295365792.db2.gz RGWPEXVSGICZPG-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCN[C@@H](CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1OC ZINC001198984020 1295375779 /nfs/dbraw/zinc/37/57/79/1295375779.db2.gz MFJAIOIMWNDZJF-SFHVURJKSA-N 1 3 347.503 2.728 20 0 EFADHO CCN[C@H](CNC(=O)CCC[NH+]1CCCCC1)c1ccccc1OC ZINC001198984019 1295375981 /nfs/dbraw/zinc/37/59/81/1295375981.db2.gz MFJAIOIMWNDZJF-GOSISDBHSA-N 1 3 347.503 2.728 20 0 EFADHO CCCCC[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993805 1295391125 /nfs/dbraw/zinc/39/11/25/1295391125.db2.gz SNGIQIMNYAHWIA-SFHVURJKSA-N 1 3 349.519 2.973 20 0 EFADHO CCN[C@@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1OC ZINC001199001956 1295396980 /nfs/dbraw/zinc/39/69/80/1295396980.db2.gz NDKNBWMHSCZSRR-SFHVURJKSA-N 1 3 347.503 2.728 20 0 EFADHO CCc1nc2c(s1)[C@H](N(C)C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CCC2 ZINC000903756011 1313170094 /nfs/dbraw/zinc/17/00/94/1313170094.db2.gz OCKCTGDSRROOFQ-JOQOYGCGSA-N 1 3 335.517 2.783 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001037231102 1295649761 /nfs/dbraw/zinc/64/97/61/1295649761.db2.gz XVZJOAQBBBPDKD-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001234644379 1313176537 /nfs/dbraw/zinc/17/65/37/1313176537.db2.gz UARBQJVQYYNUTH-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234644379 1313176540 /nfs/dbraw/zinc/17/65/40/1313176540.db2.gz UARBQJVQYYNUTH-IRXDYDNUSA-N 1 3 341.515 2.635 20 0 EFADHO COC(=O)c1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c2ncccc12 ZINC000903761373 1313176588 /nfs/dbraw/zinc/17/65/88/1313176588.db2.gz QZFBDNAYKYYQRT-DZKIICNBSA-N 1 3 341.455 2.827 20 0 EFADHO Fc1cccc(C2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1F ZINC000903763209 1313178074 /nfs/dbraw/zinc/17/80/74/1313178074.db2.gz IMQHBHMVWHNVCJ-HNAYVOBHSA-N 1 3 336.426 2.913 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CCN3Cc2ccsc2)CC1 ZINC001049687913 1313180396 /nfs/dbraw/zinc/18/03/96/1313180396.db2.gz OTNJBUJZHGZLHF-QZTJIDSGSA-N 1 3 347.528 2.655 20 0 EFADHO CCC[N@H+](C[C@@H](O)CN(C)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001412951372 1295934667 /nfs/dbraw/zinc/93/46/67/1295934667.db2.gz TVAXAEFTGQWXMG-RTWAWAEBSA-N 1 3 347.547 2.676 20 0 EFADHO CCC[N@@H+](C[C@@H](O)CN(C)CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001412951372 1295934670 /nfs/dbraw/zinc/93/46/70/1295934670.db2.gz TVAXAEFTGQWXMG-RTWAWAEBSA-N 1 3 347.547 2.676 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]COCc3ccccc3)(C1)CCC2 ZINC001277898808 1313197302 /nfs/dbraw/zinc/19/73/02/1313197302.db2.gz OXFFHAOMQCKVMX-VQTJNVASSA-N 1 3 348.487 2.806 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001017142311 1313198175 /nfs/dbraw/zinc/19/81/75/1313198175.db2.gz NACJSPQVCBALHC-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001017142311 1313198177 /nfs/dbraw/zinc/19/81/77/1313198177.db2.gz NACJSPQVCBALHC-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142791 1313199185 /nfs/dbraw/zinc/19/91/85/1313199185.db2.gz PMHPTYDDGMNAKA-YJBOKZPZSA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142791 1313199189 /nfs/dbraw/zinc/19/91/89/1313199189.db2.gz PMHPTYDDGMNAKA-YJBOKZPZSA-N 1 3 349.544 2.759 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001017143729 1313199437 /nfs/dbraw/zinc/19/94/37/1313199437.db2.gz YSNVUWQGDGCIPP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001017143729 1313199441 /nfs/dbraw/zinc/19/94/41/1313199441.db2.gz YSNVUWQGDGCIPP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869613 1313204845 /nfs/dbraw/zinc/20/48/45/1313204845.db2.gz FTCGLVBVHTWGBP-JQHSSLGASA-N 1 3 337.458 2.684 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869613 1313204849 /nfs/dbraw/zinc/20/48/49/1313204849.db2.gz FTCGLVBVHTWGBP-JQHSSLGASA-N 1 3 337.458 2.684 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000105418608 1296034849 /nfs/dbraw/zinc/03/48/49/1296034849.db2.gz VUCKONCWEMDFEH-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001276478564 1313218085 /nfs/dbraw/zinc/21/80/85/1313218085.db2.gz GHMNXKXHRKZUQM-HXUWFJFHSA-N 1 3 333.495 2.718 20 0 EFADHO CN(C)CC[N@H+]1CC[C@]2(C1)CCCN(CCc1cccc(F)c1)C2 ZINC001276478564 1313218089 /nfs/dbraw/zinc/21/80/89/1313218089.db2.gz GHMNXKXHRKZUQM-HXUWFJFHSA-N 1 3 333.495 2.718 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000903793287 1313223507 /nfs/dbraw/zinc/22/35/07/1313223507.db2.gz QCFBPXBNYOKVSF-LJQANCHMSA-N 1 3 346.421 2.991 20 0 EFADHO CC(C)N(C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1)C(C)C ZINC000903794326 1313224709 /nfs/dbraw/zinc/22/47/09/1313224709.db2.gz QMKAUJITAMZMDH-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000903794459 1313225020 /nfs/dbraw/zinc/22/50/20/1313225020.db2.gz VWLCVOWUUGRUBL-HXUWFJFHSA-N 1 3 349.478 2.784 20 0 EFADHO C[NH2+][C@@]12CC[C@@](NCCOCCOCc3ccccc3)(C1)CCC2 ZINC001274878274 1296203694 /nfs/dbraw/zinc/20/36/94/1296203694.db2.gz WJQDTROKPCSNDA-VQTJNVASSA-N 1 3 332.488 2.874 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N1CCCCC1 ZINC000959895863 1296204850 /nfs/dbraw/zinc/20/48/50/1296204850.db2.gz QCFVSHIVBKSFEI-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N1CCCCC1 ZINC000959895863 1296204858 /nfs/dbraw/zinc/20/48/58/1296204858.db2.gz QCFVSHIVBKSFEI-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC000959928364 1296247210 /nfs/dbraw/zinc/24/72/10/1296247210.db2.gz YLCUIXYTSFUYPX-RBUKOAKNSA-N 1 3 347.478 2.699 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC2(CC[NH2+]CC2)CC1 ZINC001235132118 1313249666 /nfs/dbraw/zinc/24/96/66/1313249666.db2.gz GNQFKTQWJIHTBP-UHFFFAOYSA-N 1 3 341.455 2.920 20 0 EFADHO COC(=O)c1cc(F)ccc1CN1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235153073 1313253547 /nfs/dbraw/zinc/25/35/47/1313253547.db2.gz DIAQRJFUFBLDFL-SFHVURJKSA-N 1 3 334.435 2.966 20 0 EFADHO Cc1ccsc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275860901 1296437324 /nfs/dbraw/zinc/43/73/24/1296437324.db2.gz JDUGQQQMQGUYES-UHFFFAOYSA-N 1 3 330.501 2.851 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cccc(C)n3)(C1)CCC2 ZINC001275878226 1296441217 /nfs/dbraw/zinc/44/12/17/1296441217.db2.gz AEGNCTRYTPFFPN-MOPGFXCFSA-N 1 3 333.476 2.535 20 0 EFADHO CC(C)Oc1ccc(CN2CCC[C@@](O)(C[NH3+])CC2)cc1Cl ZINC001205239699 1313257380 /nfs/dbraw/zinc/25/73/80/1313257380.db2.gz CLGSIEBKRNCFQP-KRWDZBQOSA-N 1 3 326.868 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC000960129589 1296488881 /nfs/dbraw/zinc/48/88/81/1296488881.db2.gz BQXVUOJOQAPEHT-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC000960129969 1296490128 /nfs/dbraw/zinc/49/01/28/1296490128.db2.gz BYYKRIPQKOZHPO-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC000960131611 1296490723 /nfs/dbraw/zinc/49/07/23/1296490723.db2.gz SJENXFIXCUVTSO-HKUYNNGSSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC000960131663 1296491846 /nfs/dbraw/zinc/49/18/46/1296491846.db2.gz PLAISZYPCLYKMD-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO COC(C)(C)CC[N@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276027366 1296492595 /nfs/dbraw/zinc/49/25/95/1296492595.db2.gz YVDIULPKDFHQDN-CALCHBBNSA-N 1 3 347.503 2.746 20 0 EFADHO COC(C)(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001276027366 1296492600 /nfs/dbraw/zinc/49/26/00/1296492600.db2.gz YVDIULPKDFHQDN-CALCHBBNSA-N 1 3 347.503 2.746 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC000960132702 1296492618 /nfs/dbraw/zinc/49/26/18/1296492618.db2.gz YJHKQDYEMKAADW-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC000960132669 1296493412 /nfs/dbraw/zinc/49/34/12/1296493412.db2.gz XMRSMGCQXBPKGI-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC000960150771 1296513009 /nfs/dbraw/zinc/51/30/09/1296513009.db2.gz NSVROGHJZMCRGX-YJBOKZPZSA-N 1 3 326.444 2.684 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001017208569 1313265603 /nfs/dbraw/zinc/26/56/03/1313265603.db2.gz IOVJXQOVBQSFNO-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001017208569 1313265607 /nfs/dbraw/zinc/26/56/07/1313265607.db2.gz IOVJXQOVBQSFNO-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017208436 1313265865 /nfs/dbraw/zinc/26/58/65/1313265865.db2.gz HHHPEGPVMIWFKU-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017208436 1313265867 /nfs/dbraw/zinc/26/58/67/1313265867.db2.gz HHHPEGPVMIWFKU-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208379 1313265914 /nfs/dbraw/zinc/26/59/14/1313265914.db2.gz FYZPCAIEBOZRBO-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208379 1313265917 /nfs/dbraw/zinc/26/59/17/1313265917.db2.gz FYZPCAIEBOZRBO-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001017208573 1313266241 /nfs/dbraw/zinc/26/62/41/1313266241.db2.gz IOVJXQOVBQSFNO-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001017208573 1313266245 /nfs/dbraw/zinc/26/62/45/1313266245.db2.gz IOVJXQOVBQSFNO-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001017209111 1313266937 /nfs/dbraw/zinc/26/69/37/1313266937.db2.gz LQNQWIBZCIVBPP-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001017209111 1313266940 /nfs/dbraw/zinc/26/69/40/1313266940.db2.gz LQNQWIBZCIVBPP-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)Cc3ccsc3)C2)C1 ZINC001017209602 1313267197 /nfs/dbraw/zinc/26/71/97/1313267197.db2.gz RCMRSUNFYGUENI-IAGOWNOFSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccsc3)C2)C1 ZINC001017209602 1313267200 /nfs/dbraw/zinc/26/72/00/1313267200.db2.gz RCMRSUNFYGUENI-IAGOWNOFSA-N 1 3 349.544 2.760 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC000960175905 1296542707 /nfs/dbraw/zinc/54/27/07/1296542707.db2.gz QTRBJDKNUQXSRY-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC000960175905 1296542714 /nfs/dbraw/zinc/54/27/14/1296542714.db2.gz QTRBJDKNUQXSRY-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325365 1313269572 /nfs/dbraw/zinc/26/95/72/1313269572.db2.gz AUCSFGJSLKBICZ-RBUKOAKNSA-N 1 3 349.494 2.850 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCCc2ccsc2)CC1)C1CCC1 ZINC001201067143 1296548245 /nfs/dbraw/zinc/54/82/45/1296548245.db2.gz XNFREDOAKSMEQH-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc(OC)c1 ZINC001235240226 1313271716 /nfs/dbraw/zinc/27/17/16/1313271716.db2.gz WSRVMCKXOACIGX-LJQANCHMSA-N 1 3 346.471 2.836 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1F ZINC001235242750 1313272538 /nfs/dbraw/zinc/27/25/38/1313272538.db2.gz UQDWWSZQSYJUDI-GOSISDBHSA-N 1 3 334.435 2.966 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201150014 1296590913 /nfs/dbraw/zinc/59/09/13/1296590913.db2.gz STGUCFZVBGNDTF-AEFFLSMTSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCCC2)c1 ZINC000960217689 1296593301 /nfs/dbraw/zinc/59/33/01/1296593301.db2.gz WSNAXFXYMVEXKC-SFHVURJKSA-N 1 3 347.478 2.701 20 0 EFADHO CCc1ccc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)nc1 ZINC001276092847 1296605192 /nfs/dbraw/zinc/60/51/92/1296605192.db2.gz ROBHIGRSGMTUIG-OAQYLSRUSA-N 1 3 344.547 2.884 20 0 EFADHO CCc1ccc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)nc1 ZINC001276092847 1296605205 /nfs/dbraw/zinc/60/52/05/1296605205.db2.gz ROBHIGRSGMTUIG-OAQYLSRUSA-N 1 3 344.547 2.884 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049768316 1313278756 /nfs/dbraw/zinc/27/87/56/1313278756.db2.gz VHUNTBLKIZXSDH-KZNAEPCWSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001049768316 1313278757 /nfs/dbraw/zinc/27/87/57/1313278757.db2.gz VHUNTBLKIZXSDH-KZNAEPCWSA-N 1 3 339.499 2.674 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2cccc(F)c2)CC1)N(C)C ZINC001201240587 1296648852 /nfs/dbraw/zinc/64/88/52/1296648852.db2.gz WXSBRVVKUYMESW-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC000960262805 1296668840 /nfs/dbraw/zinc/66/88/40/1296668840.db2.gz QPEQBVVXHVSSBM-VAMGGRTRSA-N 1 3 343.515 2.887 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cccc(F)c1 ZINC001205436711 1313288737 /nfs/dbraw/zinc/28/87/37/1313288737.db2.gz DBYZRZATXNGXJM-OTWHNJEPSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525496 1296683200 /nfs/dbraw/zinc/68/32/00/1296683200.db2.gz TYDXNPJYWGNZFD-RDGPPVDQSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525496 1296683207 /nfs/dbraw/zinc/68/32/07/1296683207.db2.gz TYDXNPJYWGNZFD-RDGPPVDQSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461565 1313293340 /nfs/dbraw/zinc/29/33/40/1313293340.db2.gz NQWLWBFGOYFJJM-APWZRJJASA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001205462465 1313293823 /nfs/dbraw/zinc/29/38/23/1313293823.db2.gz ZAODOOSRPBRPMW-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)C1 ZINC000353466879 1313294425 /nfs/dbraw/zinc/29/44/25/1313294425.db2.gz KAUPAHPXJANVJF-XWPNQZOQSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCCC1)C1CC1 ZINC001235337544 1313295101 /nfs/dbraw/zinc/29/51/01/1313295101.db2.gz UIIWIFCUWFYSQS-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1)C1CC1 ZINC001235337544 1313295103 /nfs/dbraw/zinc/29/51/03/1313295103.db2.gz UIIWIFCUWFYSQS-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)C1CCC1 ZINC001205469676 1313295179 /nfs/dbraw/zinc/29/51/79/1313295179.db2.gz SIJHGPCYEAWTLC-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001201321619 1296726038 /nfs/dbraw/zinc/72/60/38/1296726038.db2.gz RKDZDMLKQUJBFK-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(OC)c2)CC1 ZINC001201321220 1296726064 /nfs/dbraw/zinc/72/60/64/1296726064.db2.gz ICICWMVNZZRXCO-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC001201327166 1296729940 /nfs/dbraw/zinc/72/99/40/1296729940.db2.gz IQCZHGQYIZCSBP-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CCOc1ccc(Br)cc1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340842 1313296413 /nfs/dbraw/zinc/29/64/13/1313296413.db2.gz MSSIHAAREDHHFF-LBPRGKRZSA-N 1 3 339.277 2.889 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001201327684 1296731730 /nfs/dbraw/zinc/73/17/30/1296731730.db2.gz PZRVBPFKQJZYFM-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1c[nH]c(=O)c(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235384499 1313307279 /nfs/dbraw/zinc/30/72/79/1313307279.db2.gz RKSLIYSJNYBKOX-FPOVZHCZSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)c1 ZINC001235384499 1313307282 /nfs/dbraw/zinc/30/72/82/1313307282.db2.gz RKSLIYSJNYBKOX-FPOVZHCZSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@H]3C2)c1 ZINC001235384499 1313307284 /nfs/dbraw/zinc/30/72/84/1313307284.db2.gz RKSLIYSJNYBKOX-FPOVZHCZSA-N 1 3 337.467 2.849 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)C[C@@H](C)O1 ZINC000925439566 1296836516 /nfs/dbraw/zinc/83/65/16/1296836516.db2.gz MTGAZPSNTGFPFW-HNBVOPMISA-N 1 3 348.535 2.610 20 0 EFADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC[C@@](F)(C[NH3+])CC1 ZINC001205559654 1313312580 /nfs/dbraw/zinc/31/25/80/1313312580.db2.gz SYVPNUOMZQQJOP-IBGZPJMESA-N 1 3 347.434 2.998 20 0 EFADHO O=c1ccc2c(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423910 1313318454 /nfs/dbraw/zinc/31/84/54/1313318454.db2.gz HBRUDHLDVFYIDH-LSDHHAIUSA-N 1 3 341.455 2.858 20 0 EFADHO O=c1ccc2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423910 1313318458 /nfs/dbraw/zinc/31/84/58/1313318458.db2.gz HBRUDHLDVFYIDH-LSDHHAIUSA-N 1 3 341.455 2.858 20 0 EFADHO COc1nc(OC)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235431202 1313320020 /nfs/dbraw/zinc/32/00/20/1313320020.db2.gz MTJBFYMFRCKSDY-CVEARBPZSA-N 1 3 333.476 2.619 20 0 EFADHO C[C@@H]1CCN(Cc2cc(O)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205615733 1313323489 /nfs/dbraw/zinc/32/34/89/1313323489.db2.gz AFHWXVMSCMPFPG-VXGBXAGGSA-N 1 3 327.266 2.962 20 0 EFADHO C[C@H]1CCN(Cc2cc(O)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205615731 1313323548 /nfs/dbraw/zinc/32/35/48/1313323548.db2.gz AFHWXVMSCMPFPG-NWDGAFQWSA-N 1 3 327.266 2.962 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC(C)C)C1 ZINC001205674244 1313334727 /nfs/dbraw/zinc/33/47/27/1313334727.db2.gz GLJNCKJIWSQKLI-PKOBYXMFSA-N 1 3 349.494 2.708 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477078 1297063719 /nfs/dbraw/zinc/06/37/19/1297063719.db2.gz GIPOIYSYPUEQTP-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960477078 1297063734 /nfs/dbraw/zinc/06/37/34/1297063734.db2.gz GIPOIYSYPUEQTP-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960476970 1297064197 /nfs/dbraw/zinc/06/41/97/1297064197.db2.gz FLGVYPGZSLIQCL-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960476970 1297064213 /nfs/dbraw/zinc/06/42/13/1297064213.db2.gz FLGVYPGZSLIQCL-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO O=C1C[C@]2(CCN(CC[C@H]3CCCC[NH2+]3)C2)CN1c1ccc(F)cc1 ZINC001235525267 1313344202 /nfs/dbraw/zinc/34/42/02/1313344202.db2.gz HZYCVPQBOHFRJE-XLIONFOSSA-N 1 3 345.462 2.787 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC000960488186 1297095973 /nfs/dbraw/zinc/09/59/73/1297095973.db2.gz PXGXHMYOMFVTGS-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC000960488186 1297095987 /nfs/dbraw/zinc/09/59/87/1297095987.db2.gz PXGXHMYOMFVTGS-PKOBYXMFSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235517487 1313342532 /nfs/dbraw/zinc/34/25/32/1313342532.db2.gz ZFBAIUFJOYEHLT-IAGOWNOFSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235517487 1313342535 /nfs/dbraw/zinc/34/25/35/1313342535.db2.gz ZFBAIUFJOYEHLT-IAGOWNOFSA-N 1 3 349.544 2.698 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]1CCc1ccccc1 ZINC000903883881 1313344703 /nfs/dbraw/zinc/34/47/03/1313344703.db2.gz LKHMNFFVSQRHPK-RTBURBONSA-N 1 3 339.487 2.800 20 0 EFADHO Cc1cnc(-c2ccccc2)c(CN2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205734304 1313346918 /nfs/dbraw/zinc/34/69/18/1313346918.db2.gz DEQHJGZYGQYTHE-HXUWFJFHSA-N 1 3 325.456 2.733 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001235587576 1313356274 /nfs/dbraw/zinc/35/62/74/1313356274.db2.gz FEJSJHALLLRMKH-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001235587576 1313356278 /nfs/dbraw/zinc/35/62/78/1313356278.db2.gz FEJSJHALLLRMKH-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]1Cc1ccccc1 ZINC000903888853 1313357352 /nfs/dbraw/zinc/35/73/52/1313357352.db2.gz LWQZOOJHZKPLEP-OALUTQOASA-N 1 3 339.487 2.800 20 0 EFADHO C(CN1C[C@@H]2COC[C@]2(COCC2CCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC001235613032 1313359373 /nfs/dbraw/zinc/35/93/73/1313359373.db2.gz UXDXFHSCJKWNBA-HSALFYBXSA-N 1 3 336.520 2.674 20 0 EFADHO Fc1cccc(CN2CC[C@]23CCCN(CC2(F)CC[NH2+]CC2)C3)c1 ZINC001235628168 1313362178 /nfs/dbraw/zinc/36/21/78/1313362178.db2.gz GOLZNGHFEVTGEL-FQEVSTJZSA-N 1 3 349.469 2.958 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000903892729 1313363692 /nfs/dbraw/zinc/36/36/92/1313363692.db2.gz VWURKNUSCVYLCM-MOPGFXCFSA-N 1 3 339.487 2.972 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000931430609 1297339315 /nfs/dbraw/zinc/33/93/15/1297339315.db2.gz CUVCRADZROGLPY-SJORKVTESA-N 1 3 326.444 2.553 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@@H]2C1 ZINC000931430609 1297339331 /nfs/dbraw/zinc/33/93/31/1297339331.db2.gz CUVCRADZROGLPY-SJORKVTESA-N 1 3 326.444 2.553 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001202353899 1297347483 /nfs/dbraw/zinc/34/74/83/1297347483.db2.gz STGUCFZVBGNDTF-FUHWJXTLSA-N 1 3 325.541 2.835 20 0 EFADHO C[N@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC000960645575 1297357893 /nfs/dbraw/zinc/35/78/93/1297357893.db2.gz XZJDXWDWANQKLJ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC000960645575 1297357903 /nfs/dbraw/zinc/35/79/03/1297357903.db2.gz XZJDXWDWANQKLJ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccccc1O[C@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235687130 1313375419 /nfs/dbraw/zinc/37/54/19/1313375419.db2.gz FFIUOBNQNVYZAW-IBGZPJMESA-N 1 3 338.451 2.994 20 0 EFADHO CCC[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000903898692 1313376745 /nfs/dbraw/zinc/37/67/45/1313376745.db2.gz NKIPRGKLXPJFJF-DLBZAZTESA-N 1 3 325.447 2.955 20 0 EFADHO c1csc(CCN2CCN(Cc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC001235692998 1313376800 /nfs/dbraw/zinc/37/68/00/1313376800.db2.gz YANVZHPEDFDBGG-UHFFFAOYSA-N 1 3 327.497 2.712 20 0 EFADHO CCC[C@H]1CN(C[C@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000903898695 1313376865 /nfs/dbraw/zinc/37/68/65/1313376865.db2.gz NKIPRGKLXPJFJF-SJORKVTESA-N 1 3 325.447 2.955 20 0 EFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001235695071 1313377919 /nfs/dbraw/zinc/37/79/19/1313377919.db2.gz OGAHQEAYHFASTI-CYBMUJFWSA-N 1 3 336.501 2.948 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670154 1297404091 /nfs/dbraw/zinc/40/40/91/1297404091.db2.gz AHOJWPIPTXUPIT-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670154 1297404097 /nfs/dbraw/zinc/40/40/97/1297404097.db2.gz AHOJWPIPTXUPIT-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000960676563 1297410174 /nfs/dbraw/zinc/41/01/74/1297410174.db2.gz CAPXLVHZVYMTOI-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC000960676563 1297410180 /nfs/dbraw/zinc/41/01/80/1297410180.db2.gz CAPXLVHZVYMTOI-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727649 1313384493 /nfs/dbraw/zinc/38/44/93/1313384493.db2.gz YTUREGPDAWEMBT-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+]1CCC(C2CCN(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC001235726873 1313384727 /nfs/dbraw/zinc/38/47/27/1313384727.db2.gz QVMSXTJZFKMHSH-UHFFFAOYSA-N 1 3 325.497 2.565 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960688524 1297422076 /nfs/dbraw/zinc/42/20/76/1297422076.db2.gz OBSNDKDQPTVPGY-HOTGVXAUSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960688524 1297422081 /nfs/dbraw/zinc/42/20/81/1297422081.db2.gz OBSNDKDQPTVPGY-HOTGVXAUSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC000960691326 1297424739 /nfs/dbraw/zinc/42/47/39/1297424739.db2.gz VONWCNFUNNYHFZ-MOPGFXCFSA-N 1 3 349.494 2.835 20 0 EFADHO Cc1nc(Cl)c(CCN2CCC[C@H](C[NH3+])[C@H](C)C2)c(Cl)n1 ZINC001205981564 1313385483 /nfs/dbraw/zinc/38/54/83/1313385483.db2.gz FBQLSVLUXIFITR-ZYHUDNBSSA-N 1 3 331.291 2.941 20 0 EFADHO Cc1nc(Cl)c(CCN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Cl)n1 ZINC001205981562 1313385744 /nfs/dbraw/zinc/38/57/44/1313385744.db2.gz FBQLSVLUXIFITR-JQWIXIFHSA-N 1 3 331.291 2.941 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846238 1313379996 /nfs/dbraw/zinc/37/99/96/1313379996.db2.gz FVEOMJZFOHLNCX-JKSUJKDBSA-N 1 3 332.492 2.799 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846238 1313380000 /nfs/dbraw/zinc/38/00/00/1313380000.db2.gz FVEOMJZFOHLNCX-JKSUJKDBSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960706428 1297448849 /nfs/dbraw/zinc/44/88/49/1297448849.db2.gz FSYZMUYCIQYZBS-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960706428 1297448854 /nfs/dbraw/zinc/44/88/54/1297448854.db2.gz FSYZMUYCIQYZBS-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO COC(=O)c1cc(CN2CCC(C3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC001235702080 1313380781 /nfs/dbraw/zinc/38/07/81/1313380781.db2.gz IXCMSAZHNMCPKT-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO COC(=O)c1cc(CN2CCC(C3CC[NH2+]CC3)CC2)ccc1OC ZINC001235705487 1313381108 /nfs/dbraw/zinc/38/11/08/1313381108.db2.gz JNTIPLWOIWVFIT-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO Cc1nc(Br)ccc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206012556 1313391529 /nfs/dbraw/zinc/39/15/29/1313391529.db2.gz MJNDNUVADQEPIT-YPMHNXCESA-N 1 3 326.282 2.959 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cnn1C ZINC000903909325 1313394238 /nfs/dbraw/zinc/39/42/38/1313394238.db2.gz TYUQBLTXXQUROF-RLLQIKCJSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cnn1C ZINC000903909325 1313394240 /nfs/dbraw/zinc/39/42/40/1313394240.db2.gz TYUQBLTXXQUROF-RLLQIKCJSA-N 1 3 340.515 2.799 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)c1 ZINC001235850700 1313409654 /nfs/dbraw/zinc/40/96/54/1313409654.db2.gz YGDSGCZYAYDZLJ-NRFANRHFSA-N 1 3 341.474 2.904 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960838267 1297654846 /nfs/dbraw/zinc/65/48/46/1297654846.db2.gz KIQLJPQXRUIRFT-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO Cc1nc(C)c(C[N@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)s1 ZINC001206158134 1313412297 /nfs/dbraw/zinc/41/22/97/1313412297.db2.gz CLTIBBLOEFUNDA-IEBWSBKVSA-N 1 3 349.544 2.940 20 0 EFADHO Cc1nc(C)c(C[N@@H+]2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)s1 ZINC001206158134 1313412300 /nfs/dbraw/zinc/41/23/00/1313412300.db2.gz CLTIBBLOEFUNDA-IEBWSBKVSA-N 1 3 349.544 2.940 20 0 EFADHO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1CC[C@@H]1CCC[NH2+]C1 ZINC001235867651 1313412540 /nfs/dbraw/zinc/41/25/40/1313412540.db2.gz PULRPLRFZHNDJQ-LPHOPBHVSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC000960844042 1297669109 /nfs/dbraw/zinc/66/91/09/1297669109.db2.gz MDIZTDFPPDKIQJ-RTBURBONSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)N(C)C ZINC001206167752 1313414286 /nfs/dbraw/zinc/41/42/86/1313414286.db2.gz AWEYGCNSKPEVCJ-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC000960858998 1297707724 /nfs/dbraw/zinc/70/77/24/1297707724.db2.gz AVSUZPDHZZVPPS-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC000960858998 1297707731 /nfs/dbraw/zinc/70/77/31/1297707731.db2.gz AVSUZPDHZZVPPS-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC000960859010 1297708965 /nfs/dbraw/zinc/70/89/65/1297708965.db2.gz AVSUZPDHZZVPPS-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC000960859010 1297708974 /nfs/dbraw/zinc/70/89/74/1297708974.db2.gz AVSUZPDHZZVPPS-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO FC(F)(F)c1ccc([C@@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235919478 1313418009 /nfs/dbraw/zinc/41/80/09/1313418009.db2.gz VXDARSQICRTADW-ZBFHGGJFSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1ccc([C@@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235919478 1313418011 /nfs/dbraw/zinc/41/80/11/1313418011.db2.gz VXDARSQICRTADW-ZBFHGGJFSA-N 1 3 328.378 2.873 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC000960859946 1297710319 /nfs/dbraw/zinc/71/03/19/1297710319.db2.gz CLLHSGGTZVKNKI-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC000960859946 1297710325 /nfs/dbraw/zinc/71/03/25/1297710325.db2.gz CLLHSGGTZVKNKI-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO FC(F)(F)c1ccc([C@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235919476 1313418553 /nfs/dbraw/zinc/41/85/53/1313418553.db2.gz VXDARSQICRTADW-GOEBONIOSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1ccc([C@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235919476 1313418556 /nfs/dbraw/zinc/41/85/56/1313418556.db2.gz VXDARSQICRTADW-GOEBONIOSA-N 1 3 328.378 2.873 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960862574 1297714795 /nfs/dbraw/zinc/71/47/95/1297714795.db2.gz JPPOUFOWKOWBHV-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960862574 1297714800 /nfs/dbraw/zinc/71/48/00/1297714800.db2.gz JPPOUFOWKOWBHV-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)cs1 ZINC000960864531 1297717911 /nfs/dbraw/zinc/71/79/11/1297717911.db2.gz OCVSGOXOGMOIAX-QAPCUYQASA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)cs1 ZINC000960864531 1297717920 /nfs/dbraw/zinc/71/79/20/1297717920.db2.gz OCVSGOXOGMOIAX-QAPCUYQASA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC000960863783 1297719567 /nfs/dbraw/zinc/71/95/67/1297719567.db2.gz NEZXSDBNKUHPDW-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC000960863783 1297719573 /nfs/dbraw/zinc/71/95/73/1297719573.db2.gz NEZXSDBNKUHPDW-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001206274945 1313429438 /nfs/dbraw/zinc/42/94/38/1313429438.db2.gz NHRJHCZDPGPNMP-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CCC/C=C\CC[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206274968 1313429987 /nfs/dbraw/zinc/42/99/87/1313429987.db2.gz NJHYYGQFLJCAHZ-XFHJGTJQSA-N 1 3 335.536 2.903 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960903376 1297777897 /nfs/dbraw/zinc/77/78/97/1297777897.db2.gz CKGXVEWWEZUZNC-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960903376 1297777899 /nfs/dbraw/zinc/77/78/99/1297777899.db2.gz CKGXVEWWEZUZNC-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCC2(CC2)CC1 ZINC000960909038 1297791451 /nfs/dbraw/zinc/79/14/51/1297791451.db2.gz JETOKYNGVJBTJU-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCC2(CC2)CC1 ZINC000960909038 1297791455 /nfs/dbraw/zinc/79/14/55/1297791455.db2.gz JETOKYNGVJBTJU-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001488859577 1297805725 /nfs/dbraw/zinc/80/57/25/1297805725.db2.gz YCXXWZNWKMYQNV-DTDBQYNISA-N 1 3 335.467 2.711 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001488858476 1297805842 /nfs/dbraw/zinc/80/58/42/1297805842.db2.gz MYLQAFJFAOETQK-YVWKXTFCSA-N 1 3 343.515 2.630 20 0 EFADHO CC(C)CCC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288008 1313432298 /nfs/dbraw/zinc/43/22/98/1313432298.db2.gz LVMAARVUBVLJQY-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001206301694 1313432439 /nfs/dbraw/zinc/43/24/39/1313432439.db2.gz OXJHKUOQCCYKTP-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCOC(=O)[C@]12CN(Cc3ccccc3C3CC3)C[C@H]1C[NH2+]CC2 ZINC001236038809 1313432492 /nfs/dbraw/zinc/43/24/92/1313432492.db2.gz MIFGGWFWJRXTQJ-YLJYHZDGSA-N 1 3 328.456 2.539 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000960938855 1297853252 /nfs/dbraw/zinc/85/32/52/1297853252.db2.gz HDTKRZFFZBLZLN-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000960938855 1297853263 /nfs/dbraw/zinc/85/32/63/1297853263.db2.gz HDTKRZFFZBLZLN-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCCOc1ccc(CN2CCC[C@@H](N3CC(C[NH3+])C3)C2)cc1 ZINC001236077863 1313438141 /nfs/dbraw/zinc/43/81/41/1313438141.db2.gz DDGMGGVRQBUBGW-LJQANCHMSA-N 1 3 331.504 2.720 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(SC(F)(F)F)c1 ZINC001236081886 1313440030 /nfs/dbraw/zinc/44/00/30/1313440030.db2.gz RWFSZLPGCKZWOT-UHFFFAOYSA-N 1 3 333.423 2.636 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H](C2CCCCC2)C1 ZINC000903932994 1313440512 /nfs/dbraw/zinc/44/05/12/1313440512.db2.gz JGFBOLQXHKIUJO-ZWKOTPCHSA-N 1 3 331.508 2.995 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)cs1 ZINC000960982000 1297942996 /nfs/dbraw/zinc/94/29/96/1297942996.db2.gz KEJLLJHSKDDWJM-QGZVFWFLSA-N 1 3 347.528 2.575 20 0 EFADHO Fc1cccc(F)c1CN1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001236145240 1313446614 /nfs/dbraw/zinc/44/66/14/1313446614.db2.gz TZWSCIBDDVBGTQ-UHFFFAOYSA-N 1 3 349.469 2.862 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948246614 1297955374 /nfs/dbraw/zinc/95/53/74/1297955374.db2.gz YZNNMDYOUFUECY-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948246614 1297955383 /nfs/dbraw/zinc/95/53/83/1297955383.db2.gz YZNNMDYOUFUECY-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](N)C[N@@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC ZINC001236154830 1313448183 /nfs/dbraw/zinc/44/81/83/1313448183.db2.gz ULGYDCWXKUTLGH-HWMZRRJGSA-N 1 3 330.513 2.817 20 0 EFADHO CC[C@@H](N)C[N@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC ZINC001236154830 1313448184 /nfs/dbraw/zinc/44/81/84/1313448184.db2.gz ULGYDCWXKUTLGH-HWMZRRJGSA-N 1 3 330.513 2.817 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206401330 1313448217 /nfs/dbraw/zinc/44/82/17/1313448217.db2.gz GSMPCHNFYUUJDU-UHFFFAOYSA-N 1 3 330.476 2.671 20 0 EFADHO CC[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001206411442 1313449801 /nfs/dbraw/zinc/44/98/01/1313449801.db2.gz RVUCIXLCECRKRA-LJQANCHMSA-N 1 3 340.471 2.932 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC000961010261 1298002459 /nfs/dbraw/zinc/00/24/59/1298002459.db2.gz LTPFMOYZEPFBAF-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000961010261 1298002469 /nfs/dbraw/zinc/00/24/69/1298002469.db2.gz LTPFMOYZEPFBAF-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961025730 1298020512 /nfs/dbraw/zinc/02/05/12/1298020512.db2.gz CGFUTIIWMCPQLY-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961025730 1298020522 /nfs/dbraw/zinc/02/05/22/1298020522.db2.gz CGFUTIIWMCPQLY-LJQANCHMSA-N 1 3 329.488 2.514 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)[C@@H]1CCc2ccccc21 ZINC000961027889 1298025507 /nfs/dbraw/zinc/02/55/07/1298025507.db2.gz LQXZGZCLJQJONZ-AZUAARDMSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)[C@@H]1CCc2ccccc21 ZINC000961027889 1298025517 /nfs/dbraw/zinc/02/55/17/1298025517.db2.gz LQXZGZCLJQJONZ-AZUAARDMSA-N 1 3 341.499 2.693 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961027902 1298026835 /nfs/dbraw/zinc/02/68/35/1298026835.db2.gz LYQAVVUOEVXOBR-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961027902 1298026844 /nfs/dbraw/zinc/02/68/44/1298026844.db2.gz LYQAVVUOEVXOBR-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028971 1298027830 /nfs/dbraw/zinc/02/78/30/1298027830.db2.gz OTVVZBCAGFQLOF-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028971 1298027836 /nfs/dbraw/zinc/02/78/36/1298027836.db2.gz OTVVZBCAGFQLOF-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000948775768 1298062629 /nfs/dbraw/zinc/06/26/29/1298062629.db2.gz QFTDKTHWVILRNU-IBBQAADRSA-N 1 3 327.900 2.536 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000948775768 1298062643 /nfs/dbraw/zinc/06/26/43/1298062643.db2.gz QFTDKTHWVILRNU-IBBQAADRSA-N 1 3 327.900 2.536 20 0 EFADHO Fc1cc(-c2ncnc3c2CC[NH2+]CC3)ccc1CN1CCCCC1 ZINC001236233354 1313458299 /nfs/dbraw/zinc/45/82/99/1313458299.db2.gz MHELHQGJGZZLDQ-UHFFFAOYSA-N 1 3 340.446 2.957 20 0 EFADHO Fc1cc(-c2cc(C3C[NH2+]C3)ncn2)ccc1CN1CCCCC1 ZINC001236249254 1313461248 /nfs/dbraw/zinc/46/12/48/1313461248.db2.gz QNTKSDULQGMDTO-UHFFFAOYSA-N 1 3 326.419 2.955 20 0 EFADHO C[C@@]1(C[NH3+])CCCCN(Cc2ccc(N3CCC(O)CC3)s2)C1 ZINC001206555391 1313475434 /nfs/dbraw/zinc/47/54/34/1313475434.db2.gz KOXNIHQMYFNLMT-SFHVURJKSA-N 1 3 337.533 2.660 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCCCN1CCN(C)CC1 ZINC001206591214 1313480532 /nfs/dbraw/zinc/48/05/32/1313480532.db2.gz QWHXHJXPMAOAGP-TZIWHRDSSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCN1CCN(C)CC1 ZINC001206591214 1313480535 /nfs/dbraw/zinc/48/05/35/1313480535.db2.gz QWHXHJXPMAOAGP-TZIWHRDSSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178256 1298253835 /nfs/dbraw/zinc/25/38/35/1298253835.db2.gz CGNLMVZPSVAQAK-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178256 1298253847 /nfs/dbraw/zinc/25/38/47/1298253847.db2.gz CGNLMVZPSVAQAK-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181357 1298259846 /nfs/dbraw/zinc/25/98/46/1298259846.db2.gz JKXBCDHOSNTWPI-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181357 1298259852 /nfs/dbraw/zinc/25/98/52/1298259852.db2.gz JKXBCDHOSNTWPI-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183283 1298266521 /nfs/dbraw/zinc/26/65/21/1298266521.db2.gz MFKHIVYTIDFSKE-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961183283 1298266532 /nfs/dbraw/zinc/26/65/32/1298266532.db2.gz MFKHIVYTIDFSKE-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187454 1298271706 /nfs/dbraw/zinc/27/17/06/1298271706.db2.gz UDASYGHUNYKWIU-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187454 1298271718 /nfs/dbraw/zinc/27/17/18/1298271718.db2.gz UDASYGHUNYKWIU-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187452 1298272375 /nfs/dbraw/zinc/27/23/75/1298272375.db2.gz UDASYGHUNYKWIU-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961187452 1298272377 /nfs/dbraw/zinc/27/23/77/1298272377.db2.gz UDASYGHUNYKWIU-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188139 1298273167 /nfs/dbraw/zinc/27/31/67/1298273167.db2.gz UJMVTMADVXHSCY-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC000961188139 1298273178 /nfs/dbraw/zinc/27/31/78/1298273178.db2.gz UJMVTMADVXHSCY-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188366 1298273473 /nfs/dbraw/zinc/27/34/73/1298273473.db2.gz VDVKXEOKQYGPKJ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188366 1298273476 /nfs/dbraw/zinc/27/34/76/1298273476.db2.gz VDVKXEOKQYGPKJ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188362 1298274242 /nfs/dbraw/zinc/27/42/42/1298274242.db2.gz VDVKXEOKQYGPKJ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC000961188362 1298274250 /nfs/dbraw/zinc/27/42/50/1298274250.db2.gz VDVKXEOKQYGPKJ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001206641909 1313487248 /nfs/dbraw/zinc/48/72/48/1313487248.db2.gz JDXNFHFINLYYGS-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1 ZINC001049921150 1313487316 /nfs/dbraw/zinc/48/73/16/1313487316.db2.gz VJZLFLKUPYZQKK-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049921150 1313487320 /nfs/dbraw/zinc/48/73/20/1313487320.db2.gz VJZLFLKUPYZQKK-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO Cc1ccc(O[C@@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)nc1 ZINC001236533815 1313489579 /nfs/dbraw/zinc/48/95/79/1313489579.db2.gz BLGAXSZXRFDFIA-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO COc1ccc(CN(Cc2cccnc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544670 1313490851 /nfs/dbraw/zinc/49/08/51/1313490851.db2.gz HLSOTSCADOEHEP-IYARVYRRSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cc(CN2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1-n1cncn1 ZINC000903959614 1313491090 /nfs/dbraw/zinc/49/10/90/1313491090.db2.gz KWSOIYUKEXTLOL-IBGZPJMESA-N 1 3 325.460 2.541 20 0 EFADHO COc1cccc(CN(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c1N ZINC001236564371 1313492915 /nfs/dbraw/zinc/49/29/15/1313492915.db2.gz MUHQFNGVEPQDGF-IYARVYRRSA-N 1 3 340.471 2.945 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CC4CC4)C3)C2)C1 ZINC000961228177 1298366511 /nfs/dbraw/zinc/36/65/11/1298366511.db2.gz GESRIOJYNIJZRJ-RBUKOAKNSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CC4CC4)C3)C2)C1 ZINC000961228177 1298366523 /nfs/dbraw/zinc/36/65/23/1298366523.db2.gz GESRIOJYNIJZRJ-RBUKOAKNSA-N 1 3 347.547 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229116 1298369819 /nfs/dbraw/zinc/36/98/19/1298369819.db2.gz HJAAUAKCLMLFOI-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961229116 1298369827 /nfs/dbraw/zinc/36/98/27/1298369827.db2.gz HJAAUAKCLMLFOI-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO [NH3+][C@@H]1CCN(C2CCN(Cc3c[nH]c4cccc(Cl)c34)CC2)C1 ZINC001236616824 1313498362 /nfs/dbraw/zinc/49/83/62/1313498362.db2.gz PHKBQDLPXAPFMA-CQSZACIVSA-N 1 3 332.879 2.819 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236678 1298388354 /nfs/dbraw/zinc/38/83/54/1298388354.db2.gz YIESGPBCEUAGGE-SJORKVTESA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236678 1298388362 /nfs/dbraw/zinc/38/83/62/1298388362.db2.gz YIESGPBCEUAGGE-SJORKVTESA-N 1 3 332.492 2.559 20 0 EFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3cccc4occc43)CC[C@@H]2C1 ZINC001236737960 1313519677 /nfs/dbraw/zinc/51/96/77/1313519677.db2.gz PNUBJTNVUOOAPG-YLJYHZDGSA-N 1 3 344.455 2.602 20 0 EFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3cccc4occc43)CC[C@@H]2C1 ZINC001236737960 1313519679 /nfs/dbraw/zinc/51/96/79/1313519679.db2.gz PNUBJTNVUOOAPG-YLJYHZDGSA-N 1 3 344.455 2.602 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497004 1313520074 /nfs/dbraw/zinc/52/00/74/1313520074.db2.gz PFOMJMLENMNTQL-UYAOXDASSA-N 1 3 330.520 2.644 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497004 1313520078 /nfs/dbraw/zinc/52/00/78/1313520078.db2.gz PFOMJMLENMNTQL-UYAOXDASSA-N 1 3 330.520 2.644 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961337369 1298573044 /nfs/dbraw/zinc/57/30/44/1298573044.db2.gz BSMNTOCOMFIOBE-WOJBJXKFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961337369 1298573046 /nfs/dbraw/zinc/57/30/46/1298573046.db2.gz BSMNTOCOMFIOBE-WOJBJXKFSA-N 1 3 347.547 2.997 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961338006 1298575149 /nfs/dbraw/zinc/57/51/49/1298575149.db2.gz DATUKDZIMHLYPG-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961338006 1298575158 /nfs/dbraw/zinc/57/51/58/1298575158.db2.gz DATUKDZIMHLYPG-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017766766 1313517844 /nfs/dbraw/zinc/51/78/44/1313517844.db2.gz BUDPFEMYPDNPHV-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC000961372992 1298635359 /nfs/dbraw/zinc/63/53/59/1298635359.db2.gz FKRKRGPMGCGZQK-MOPGFXCFSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1)N(C)C ZINC000961372992 1298635370 /nfs/dbraw/zinc/63/53/70/1298635370.db2.gz FKRKRGPMGCGZQK-MOPGFXCFSA-N 1 3 337.552 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961373500 1298637886 /nfs/dbraw/zinc/63/78/86/1298637886.db2.gz HKMOXRGGSIMMHA-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961373500 1298637901 /nfs/dbraw/zinc/63/79/01/1298637901.db2.gz HKMOXRGGSIMMHA-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961374267 1298641661 /nfs/dbraw/zinc/64/16/61/1298641661.db2.gz KQEAZCLVZFEHRG-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961374267 1298641669 /nfs/dbraw/zinc/64/16/69/1298641669.db2.gz KQEAZCLVZFEHRG-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC000961379899 1298653915 /nfs/dbraw/zinc/65/39/15/1298653915.db2.gz WMJIRMLGQCQMAN-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC000961379899 1298653921 /nfs/dbraw/zinc/65/39/21/1298653921.db2.gz WMJIRMLGQCQMAN-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001490243557 1298665360 /nfs/dbraw/zinc/66/53/60/1298665360.db2.gz HQHZTYUDGSCIBO-LJQANCHMSA-N 1 3 344.503 2.692 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)N(C)C ZINC001490243557 1298665370 /nfs/dbraw/zinc/66/53/70/1298665370.db2.gz HQHZTYUDGSCIBO-LJQANCHMSA-N 1 3 344.503 2.692 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961409968 1298704904 /nfs/dbraw/zinc/70/49/04/1298704904.db2.gz DHXDRMMDXIQJRD-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961409968 1298704909 /nfs/dbraw/zinc/70/49/09/1298704909.db2.gz DHXDRMMDXIQJRD-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961410398 1298705087 /nfs/dbraw/zinc/70/50/87/1298705087.db2.gz HDTNGKLPLDQBGO-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961410398 1298705095 /nfs/dbraw/zinc/70/50/95/1298705095.db2.gz HDTNGKLPLDQBGO-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961409967 1298705369 /nfs/dbraw/zinc/70/53/69/1298705369.db2.gz DHXDRMMDXIQJRD-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961409967 1298705374 /nfs/dbraw/zinc/70/53/74/1298705374.db2.gz DHXDRMMDXIQJRD-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411434 1298707355 /nfs/dbraw/zinc/70/73/55/1298707355.db2.gz NKDKOYSNDOQSMI-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411434 1298707366 /nfs/dbraw/zinc/70/73/66/1298707366.db2.gz NKDKOYSNDOQSMI-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961413911 1298710239 /nfs/dbraw/zinc/71/02/39/1298710239.db2.gz GZFXVFBGMXAVLP-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961413911 1298710249 /nfs/dbraw/zinc/71/02/49/1298710249.db2.gz GZFXVFBGMXAVLP-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001206890298 1313540443 /nfs/dbraw/zinc/54/04/43/1313540443.db2.gz KIXXSMIOHFKXQJ-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001206890444 1313541290 /nfs/dbraw/zinc/54/12/90/1313541290.db2.gz RVPSHNMSSMKODO-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001206890390 1313541365 /nfs/dbraw/zinc/54/13/65/1313541365.db2.gz PHIFDGUKKNGAPY-QGZVFWFLSA-N 1 3 325.541 2.839 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000961436847 1298746126 /nfs/dbraw/zinc/74/61/26/1298746126.db2.gz WSWSWUFFMDPAPQ-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961436847 1298746132 /nfs/dbraw/zinc/74/61/32/1298746132.db2.gz WSWSWUFFMDPAPQ-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961437325 1298747402 /nfs/dbraw/zinc/74/74/02/1298747402.db2.gz ALPVXDNHOIRYSE-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961437325 1298747412 /nfs/dbraw/zinc/74/74/12/1298747412.db2.gz ALPVXDNHOIRYSE-FQEVSTJZSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609517 1313545068 /nfs/dbraw/zinc/54/50/68/1313545068.db2.gz QLNDHFKXPYEVGB-FXECBMLZSA-N 1 3 347.478 2.831 20 0 EFADHO C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609517 1313545069 /nfs/dbraw/zinc/54/50/69/1313545069.db2.gz QLNDHFKXPYEVGB-FXECBMLZSA-N 1 3 347.478 2.831 20 0 EFADHO C[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCN3CCCC2CCCC2)CC1 ZINC001278022354 1313545852 /nfs/dbraw/zinc/54/58/52/1313545852.db2.gz RDOLBWLZQRPMEY-XLIONFOSSA-N 1 3 333.520 2.632 20 0 EFADHO CC[NH+](CC)C1CCN(Cc2cccc(N3CCN(C)CC3)c2)CC1 ZINC001236900326 1313548896 /nfs/dbraw/zinc/54/88/96/1313548896.db2.gz XTJYPGITOUTHQH-UHFFFAOYSA-N 1 3 344.547 2.745 20 0 EFADHO CC[C@H](C(N)=O)N1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001278029122 1313554501 /nfs/dbraw/zinc/55/45/01/1313554501.db2.gz PPPCOAPRBWSETO-CQSZACIVSA-N 1 3 349.441 2.771 20 0 EFADHO CC[C@H](C(N)=O)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001278029122 1313554503 /nfs/dbraw/zinc/55/45/03/1313554503.db2.gz PPPCOAPRBWSETO-CQSZACIVSA-N 1 3 349.441 2.771 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206953368 1313569650 /nfs/dbraw/zinc/56/96/50/1313569650.db2.gz GLDIXCSFZLGHKC-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001206954333 1313569859 /nfs/dbraw/zinc/56/98/59/1313569859.db2.gz DXWOZMBCISVCMK-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1 ZINC001206954381 1313569990 /nfs/dbraw/zinc/56/99/90/1313569990.db2.gz GZVKIVYEFWPWEQ-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCc2ccccc2F)CC1 ZINC001206954758 1313570072 /nfs/dbraw/zinc/57/00/72/1313570072.db2.gz WAGOYZCRBQQNLH-UHFFFAOYSA-N 1 3 349.494 2.537 20 0 EFADHO C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001278042416 1313571873 /nfs/dbraw/zinc/57/18/73/1313571873.db2.gz VFBXUEVKKAWQDF-YESZJQIVSA-N 1 3 347.503 2.889 20 0 EFADHO C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001278042416 1313571877 /nfs/dbraw/zinc/57/18/77/1313571877.db2.gz VFBXUEVKKAWQDF-YESZJQIVSA-N 1 3 347.503 2.889 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H](NCc2ccccc2F)C2CC2)CC1 ZINC001490718250 1299127207 /nfs/dbraw/zinc/12/72/07/1299127207.db2.gz QKRUFTCZENKWFH-IBGZPJMESA-N 1 3 347.478 2.542 20 0 EFADHO CC(C)(C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1)N1CCCCC1 ZINC000961836832 1299152492 /nfs/dbraw/zinc/15/24/92/1299152492.db2.gz DJIWDOYIDDQMCZ-UHFFFAOYSA-N 1 3 349.544 2.997 20 0 EFADHO Cc1c(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc(F)c1F ZINC001237167641 1313596741 /nfs/dbraw/zinc/59/67/41/1313596741.db2.gz QROJKUTUQRTFEP-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490773915 1299231131 /nfs/dbraw/zinc/23/11/31/1299231131.db2.gz CZTLQMNFWHLBLQ-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490773915 1299231143 /nfs/dbraw/zinc/23/11/43/1299231143.db2.gz CZTLQMNFWHLBLQ-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490773914 1299231456 /nfs/dbraw/zinc/23/14/56/1299231456.db2.gz CZTLQMNFWHLBLQ-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490773914 1299231469 /nfs/dbraw/zinc/23/14/69/1299231469.db2.gz CZTLQMNFWHLBLQ-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3cccc(N)c3)CC2)C1 ZINC001237218306 1313607892 /nfs/dbraw/zinc/60/78/92/1313607892.db2.gz HJAATIINUMALCB-QGZVFWFLSA-N 1 3 345.487 2.508 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N1CCCCCC1 ZINC000961958010 1299272119 /nfs/dbraw/zinc/27/21/19/1299272119.db2.gz LSQQONRGZPSPFB-BDXSIMOUSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N1CCCCCC1 ZINC000961958010 1299272126 /nfs/dbraw/zinc/27/21/26/1299272126.db2.gz LSQQONRGZPSPFB-BDXSIMOUSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21)[NH+]1CCCCCC1 ZINC000961957902 1299272151 /nfs/dbraw/zinc/27/21/51/1299272151.db2.gz LHIOHUQHFVEIBY-BGTYHANMSA-N 1 3 347.528 2.559 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000962304693 1299565305 /nfs/dbraw/zinc/56/53/05/1299565305.db2.gz CEQGQCHJYUINJN-NXVRBGIVSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000962305680 1299566297 /nfs/dbraw/zinc/56/62/97/1299566297.db2.gz KZEBNFJNIKLHGN-IVMQYODDSA-N 1 3 347.547 2.926 20 0 EFADHO CCc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000962307455 1299569072 /nfs/dbraw/zinc/56/90/72/1299569072.db2.gz SIVRAXZOKAAQJT-DZIBYMRMSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)cc1F ZINC000962307873 1299569889 /nfs/dbraw/zinc/56/98/89/1299569889.db2.gz YCIOBBOVQJAWNG-FAEJEUNOSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000962310479 1299571708 /nfs/dbraw/zinc/57/17/08/1299571708.db2.gz WDHOTRXIMYJLNM-IPJUCJBFSA-N 1 3 347.547 2.783 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(CN2CCC([NH+]3CCC3)CC2)CC1 ZINC001207198147 1313635105 /nfs/dbraw/zinc/63/51/05/1313635105.db2.gz OWVUBHFSRAHABL-UHFFFAOYSA-N 1 3 337.508 2.804 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(Cl)c(C)c2)CCC12C[NH2+]C2 ZINC001237428159 1313642223 /nfs/dbraw/zinc/64/22/23/1313642223.db2.gz ATYZHJCZJJDQHE-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2cccc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237432431 1313642850 /nfs/dbraw/zinc/64/28/50/1313642850.db2.gz UPYJFMPDYFQKEE-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CN1CC2(C1)CC[NH+](CCC13CC(NC(=O)OC(C)(C)C)(C1)C3)CC2 ZINC001207233656 1313643051 /nfs/dbraw/zinc/64/30/51/1313643051.db2.gz XWASPINCEGFQMF-UHFFFAOYSA-N 1 3 349.519 2.852 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262633 1313648059 /nfs/dbraw/zinc/64/80/59/1313648059.db2.gz KANDHEASYJJGRR-VPCPSFPESA-N 1 3 341.515 2.849 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262633 1313648061 /nfs/dbraw/zinc/64/80/61/1313648061.db2.gz KANDHEASYJJGRR-VPCPSFPESA-N 1 3 341.515 2.849 20 0 EFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CCCN(Cc3ccc[nH]3)C2)CC1 ZINC001276518367 1313648146 /nfs/dbraw/zinc/64/81/46/1313648146.db2.gz IWJZUSVKBRMHKX-INIZCTEOSA-N 1 3 333.476 2.502 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018027593 1313648275 /nfs/dbraw/zinc/64/82/75/1313648275.db2.gz XINGYECVEGMFSS-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018027593 1313648277 /nfs/dbraw/zinc/64/82/77/1313648277.db2.gz XINGYECVEGMFSS-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001207279958 1313650942 /nfs/dbraw/zinc/65/09/42/1313650942.db2.gz PNLGJHPJDDVSKC-HUUCEWRRSA-N 1 3 325.497 2.515 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001207279958 1313650946 /nfs/dbraw/zinc/65/09/46/1313650946.db2.gz PNLGJHPJDDVSKC-HUUCEWRRSA-N 1 3 325.497 2.515 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001207282061 1313651436 /nfs/dbraw/zinc/65/14/36/1313651436.db2.gz KXWVLFCRKVVMPX-UHFFFAOYSA-N 1 3 339.487 2.527 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001207282061 1313651439 /nfs/dbraw/zinc/65/14/39/1313651439.db2.gz KXWVLFCRKVVMPX-UHFFFAOYSA-N 1 3 339.487 2.527 20 0 EFADHO CCc1ccc(C[NH2+]CC2CC(NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC000962596697 1299852235 /nfs/dbraw/zinc/85/22/35/1299852235.db2.gz AEAQCRIUXHMXFJ-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001207283688 1313652303 /nfs/dbraw/zinc/65/23/03/1313652303.db2.gz DBZHFONJZVMULL-UHFFFAOYSA-N 1 3 335.467 2.608 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001207284075 1313652318 /nfs/dbraw/zinc/65/23/18/1313652318.db2.gz HEOCJBRMRDVUFL-UHFFFAOYSA-N 1 3 332.492 2.860 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001207287861 1313653513 /nfs/dbraw/zinc/65/35/13/1313653513.db2.gz HPVXLBPLWUOSAD-CVEARBPZSA-N 1 3 339.524 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001207287861 1313653517 /nfs/dbraw/zinc/65/35/17/1313653517.db2.gz HPVXLBPLWUOSAD-CVEARBPZSA-N 1 3 339.524 2.906 20 0 EFADHO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295660 1313654580 /nfs/dbraw/zinc/65/45/80/1313654580.db2.gz YKUQOSYGFVGMCP-AABGKKOBSA-N 1 3 342.483 2.925 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000718090068 1300003683 /nfs/dbraw/zinc/00/36/83/1300003683.db2.gz FZKLGQAJELIOJE-QXAKKESOSA-N 1 3 329.488 2.627 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC000962809700 1300088562 /nfs/dbraw/zinc/08/85/62/1300088562.db2.gz RCTFWBOMIMPNNB-KVZIAJEVSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)sc1C ZINC001276527099 1313668918 /nfs/dbraw/zinc/66/89/18/1313668918.db2.gz DXFKOIYSDVTKIV-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO Cc1ncc(CN(C)CC2CC[NH+](C)CC2)cc1Br ZINC001237569461 1313669477 /nfs/dbraw/zinc/66/94/77/1313669477.db2.gz PXYYLJHBOYUNIL-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO C[NH+]1CCC(CN2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001207398425 1313675283 /nfs/dbraw/zinc/67/52/83/1313675283.db2.gz OMTIAHLIYWLSJD-UHFFFAOYSA-N 1 3 325.497 2.660 20 0 EFADHO C[NH+]1CCC(CN2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)CC1 ZINC001207393423 1313673382 /nfs/dbraw/zinc/67/33/82/1313673382.db2.gz AFVXWJMBCCCEME-XUVXKRRUSA-N 1 3 336.520 2.767 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000963155987 1300376790 /nfs/dbraw/zinc/37/67/90/1300376790.db2.gz FMDMSEQVAVMZAF-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000963158427 1300379841 /nfs/dbraw/zinc/37/98/41/1300379841.db2.gz XXMIEXPQTFWQSR-CTWPCTMYSA-N 1 3 347.478 2.779 20 0 EFADHO C[NH+]1CCC(CCN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001207487129 1313698232 /nfs/dbraw/zinc/69/82/32/1313698232.db2.gz QUZCIDCDLSLCKU-HZPDHXFCSA-N 1 3 343.487 2.655 20 0 EFADHO CCOc1ccccc1N1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207479288 1313695663 /nfs/dbraw/zinc/69/56/63/1313695663.db2.gz FBOUOWGONMLXEJ-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO NC(=O)c1cccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1 ZINC001237696544 1313693564 /nfs/dbraw/zinc/69/35/64/1313693564.db2.gz BUWVKHNSLYXVEK-UHFFFAOYSA-N 1 3 349.478 2.884 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314417 1300578008 /nfs/dbraw/zinc/57/80/08/1300578008.db2.gz KYRQMSGAPICDJA-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314417 1300578016 /nfs/dbraw/zinc/57/80/16/1300578016.db2.gz KYRQMSGAPICDJA-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314415 1300579017 /nfs/dbraw/zinc/57/90/17/1300579017.db2.gz KYRQMSGAPICDJA-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314415 1300579025 /nfs/dbraw/zinc/57/90/25/1300579025.db2.gz KYRQMSGAPICDJA-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH+](C)CCN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC001207522764 1313706643 /nfs/dbraw/zinc/70/66/43/1313706643.db2.gz LEPCKGLEUXQEKR-UHFFFAOYSA-N 1 3 337.511 2.998 20 0 EFADHO COc1cc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)ccc1-n1ccnc1 ZINC001276539335 1313709681 /nfs/dbraw/zinc/70/96/81/1313709681.db2.gz QZRYKRSREYMNPY-FQEVSTJZSA-N 1 3 340.471 2.799 20 0 EFADHO COc1cc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)ccc1-n1ccnc1 ZINC001276539335 1313709684 /nfs/dbraw/zinc/70/96/84/1313709684.db2.gz QZRYKRSREYMNPY-FQEVSTJZSA-N 1 3 340.471 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384595 1300742162 /nfs/dbraw/zinc/74/21/62/1300742162.db2.gz VNHLQWSFSSNEFS-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384595 1300742170 /nfs/dbraw/zinc/74/21/70/1300742170.db2.gz VNHLQWSFSSNEFS-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCCC1)N(C)C ZINC001110694759 1300760602 /nfs/dbraw/zinc/76/06/02/1300760602.db2.gz KWFFLVKIDAJSMU-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1)N(C)C ZINC001110694759 1300760609 /nfs/dbraw/zinc/76/06/09/1300760609.db2.gz KWFFLVKIDAJSMU-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018160320 1313719761 /nfs/dbraw/zinc/71/97/61/1313719761.db2.gz YLQQUYCLGNDKKI-BGYRXZFFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998188 1300839790 /nfs/dbraw/zinc/83/97/90/1300839790.db2.gz ROGCSFJMKKIKJD-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998188 1300839813 /nfs/dbraw/zinc/83/98/13/1300839813.db2.gz ROGCSFJMKKIKJD-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(C[C@H](O)CO4)CC3)cc21 ZINC001237880979 1313726283 /nfs/dbraw/zinc/72/62/83/1313726283.db2.gz LUQIGYSNNFRNOS-SFHVURJKSA-N 1 3 342.483 2.804 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207641650 1313737355 /nfs/dbraw/zinc/73/73/55/1313737355.db2.gz XRQYYOYPNHEYOX-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207641650 1313737358 /nfs/dbraw/zinc/73/73/58/1313737358.db2.gz XRQYYOYPNHEYOX-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c[nH]c2ccccc12 ZINC001278168582 1313737578 /nfs/dbraw/zinc/73/75/78/1313737578.db2.gz RVMKNQSWXKWBNV-YQQQUEKLSA-N 1 3 340.515 2.857 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c[nH]c2ccccc12 ZINC001278168582 1313737582 /nfs/dbraw/zinc/73/75/82/1313737582.db2.gz RVMKNQSWXKWBNV-YQQQUEKLSA-N 1 3 340.515 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001202495249 1301229076 /nfs/dbraw/zinc/22/90/76/1301229076.db2.gz ATNBUJNAIWGDFH-YPHWWSSASA-N 1 3 341.499 2.765 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207749578 1313764510 /nfs/dbraw/zinc/76/45/10/1313764510.db2.gz AFLUXTPENSQJTM-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)C[C@H]1C ZINC001207749578 1313764514 /nfs/dbraw/zinc/76/45/14/1313764514.db2.gz AFLUXTPENSQJTM-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001207750311 1313764842 /nfs/dbraw/zinc/76/48/42/1313764842.db2.gz PMWILSCOKWXEIZ-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001207750311 1313764846 /nfs/dbraw/zinc/76/48/46/1313764846.db2.gz PMWILSCOKWXEIZ-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207758088 1313766877 /nfs/dbraw/zinc/76/68/77/1313766877.db2.gz UMNPNYBAOWWFSF-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001207758088 1313766879 /nfs/dbraw/zinc/76/68/79/1313766879.db2.gz UMNPNYBAOWWFSF-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCC([NH2+]CCF)CC1 ZINC000963901960 1301452795 /nfs/dbraw/zinc/45/27/95/1301452795.db2.gz DTIRAYGLDJGFOK-JTTJXQCZSA-N 1 3 345.478 2.528 20 0 EFADHO CCC[NH+]1C[C@@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001207772129 1313769984 /nfs/dbraw/zinc/76/99/84/1313769984.db2.gz BKAALQBTIAGQBP-IAGOWNOFSA-N 1 3 337.508 2.517 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000963955297 1301516223 /nfs/dbraw/zinc/51/62/23/1301516223.db2.gz JZADHWKWNOVVDL-UHFFFAOYSA-N 1 3 340.471 2.554 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001238169709 1313776119 /nfs/dbraw/zinc/77/61/19/1313776119.db2.gz NJRJAYQFWOKOIJ-UHFFFAOYSA-N 1 3 337.471 2.668 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001238169709 1313776122 /nfs/dbraw/zinc/77/61/22/1313776122.db2.gz NJRJAYQFWOKOIJ-UHFFFAOYSA-N 1 3 337.471 2.668 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904533 1301567410 /nfs/dbraw/zinc/56/74/10/1301567410.db2.gz HILSFMKCFDHQMD-LRDDRELGSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904533 1301567418 /nfs/dbraw/zinc/56/74/18/1301567418.db2.gz HILSFMKCFDHQMD-LRDDRELGSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(Br)c1 ZINC000037904533 1301567427 /nfs/dbraw/zinc/56/74/27/1301567427.db2.gz HILSFMKCFDHQMD-LRDDRELGSA-N 1 3 339.277 2.556 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207800011 1313777586 /nfs/dbraw/zinc/77/75/86/1313777586.db2.gz KDLNUAKZPZBWCH-YSNLUETFSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207800011 1313777589 /nfs/dbraw/zinc/77/75/89/1313777589.db2.gz KDLNUAKZPZBWCH-YSNLUETFSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207800008 1313777783 /nfs/dbraw/zinc/77/77/83/1313777783.db2.gz KDLNUAKZPZBWCH-IOIJZZRGSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCN2CC(C)C)C1 ZINC001207800008 1313777786 /nfs/dbraw/zinc/77/77/86/1313777786.db2.gz KDLNUAKZPZBWCH-IOIJZZRGSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502270 1301646277 /nfs/dbraw/zinc/64/62/77/1301646277.db2.gz BUYZFSUTHYYKRG-IBGZPJMESA-N 1 3 339.499 2.746 20 0 EFADHO CC(C)[C@@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+]1CCCC1 ZINC001018310948 1313805937 /nfs/dbraw/zinc/80/59/37/1313805937.db2.gz UUWZHCVACVFGFW-VWAQSERHSA-N 1 3 347.547 2.828 20 0 EFADHO c1cncc(CN2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)c1 ZINC001207960079 1313811458 /nfs/dbraw/zinc/81/14/58/1313811458.db2.gz ZMAIHUSZVXDMTG-LJQANCHMSA-N 1 3 329.488 2.939 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)N1CCCCC1 ZINC001208050278 1313834811 /nfs/dbraw/zinc/83/48/11/1313834811.db2.gz XGUQCVRBIXQVHX-QGZVFWFLSA-N 1 3 341.515 2.971 20 0 EFADHO c1cnn(CCC[NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)c1 ZINC001208076193 1313841775 /nfs/dbraw/zinc/84/17/75/1313841775.db2.gz YTCAOYKAYMNCOH-UHFFFAOYSA-N 1 3 328.460 2.854 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001097085847 1313844434 /nfs/dbraw/zinc/84/44/34/1313844434.db2.gz QVEMWEJTVGZDRQ-WCIQWLHISA-N 1 3 343.515 2.550 20 0 EFADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(CC)c21 ZINC001208110909 1313849663 /nfs/dbraw/zinc/84/96/63/1313849663.db2.gz XWXHXDSYYVNIEB-KRWDZBQOSA-N 1 3 334.508 2.571 20 0 EFADHO CO[C@H](CN1CCN(CC2(C)CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001208110365 1313849884 /nfs/dbraw/zinc/84/98/84/1313849884.db2.gz YTGOMFXFOJFAMJ-HXUWFJFHSA-N 1 3 345.531 2.724 20 0 EFADHO C[NH+]1CCC(C)(CN2CCCn3cnc(Cn4cccc4)c3C2)CC1 ZINC001208105949 1313848658 /nfs/dbraw/zinc/84/86/58/1313848658.db2.gz AJJQTZGZTLIDSM-UHFFFAOYSA-N 1 3 341.503 2.671 20 0 EFADHO C[NH+]1CCC(C)(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208108075 1313849086 /nfs/dbraw/zinc/84/90/86/1313849086.db2.gz PKICAUPGBAXCMR-UHFFFAOYSA-N 1 3 337.508 2.804 20 0 EFADHO CC/C=C\CCC[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208136107 1313854645 /nfs/dbraw/zinc/85/46/45/1313854645.db2.gz QQYXHSJTOZJYDS-WAYWQWQTSA-N 1 3 331.504 2.557 20 0 EFADHO CC/C=C\CCC[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001208136107 1313854647 /nfs/dbraw/zinc/85/46/47/1313854647.db2.gz QQYXHSJTOZJYDS-WAYWQWQTSA-N 1 3 331.504 2.557 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172024 1313860423 /nfs/dbraw/zinc/86/04/23/1313860423.db2.gz BCSQDFOWOPXCFJ-MDMHHNQBSA-N 1 3 343.519 2.665 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001208172024 1313860427 /nfs/dbraw/zinc/86/04/27/1313860427.db2.gz BCSQDFOWOPXCFJ-MDMHHNQBSA-N 1 3 343.519 2.665 20 0 EFADHO Cc1cc(O[C@@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)ncn1 ZINC001208188064 1313865339 /nfs/dbraw/zinc/86/53/39/1313865339.db2.gz FXZLSOMVMDVOHZ-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cc(O[C@@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)ncn1 ZINC001208188064 1313865342 /nfs/dbraw/zinc/86/53/42/1313865342.db2.gz FXZLSOMVMDVOHZ-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO COc1cccc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187801 1313865482 /nfs/dbraw/zinc/86/54/82/1313865482.db2.gz AHBJWRMCERYQPH-INIZCTEOSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cccc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187801 1313865485 /nfs/dbraw/zinc/86/54/85/1313865485.db2.gz AHBJWRMCERYQPH-INIZCTEOSA-N 1 3 333.476 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1=CCCCC1)C2 ZINC000965065029 1302788451 /nfs/dbraw/zinc/78/84/51/1302788451.db2.gz TZMJYBINZVFGOI-GICSWVMSSA-N 1 3 345.531 2.988 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)(C)C1)C2 ZINC000965065725 1302788698 /nfs/dbraw/zinc/78/86/98/1302788698.db2.gz ZLJYLTHHDGSSDG-RURAZLOXSA-N 1 3 347.547 2.924 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001208261831 1313884205 /nfs/dbraw/zinc/88/42/05/1313884205.db2.gz SNVWJSPALMQTAW-HOTGVXAUSA-N 1 3 341.496 2.509 20 0 EFADHO CC(C)(C)Oc1cccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000865450522 1303263287 /nfs/dbraw/zinc/26/32/87/1303263287.db2.gz NLHOYHQCAMUDJW-KRWDZBQOSA-N 1 3 347.503 2.541 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)C1 ZINC001202517891 1303282076 /nfs/dbraw/zinc/28/20/76/1303282076.db2.gz CBXCCNBBBVGECD-LCYFTJDESA-N 1 3 348.318 2.618 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)C1 ZINC001202517891 1303282078 /nfs/dbraw/zinc/28/20/78/1303282078.db2.gz CBXCCNBBBVGECD-LCYFTJDESA-N 1 3 348.318 2.618 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000865801344 1303406331 /nfs/dbraw/zinc/40/63/31/1303406331.db2.gz VUEYUMIVLIKBAX-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000865801344 1303406337 /nfs/dbraw/zinc/40/63/37/1303406337.db2.gz VUEYUMIVLIKBAX-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO CC(C)c1ccccc1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217149 1313914992 /nfs/dbraw/zinc/91/49/92/1313914992.db2.gz RKAWAHLZFJQYPV-OAHLLOKOSA-N 1 3 330.476 2.806 20 0 EFADHO CC(C)c1ccccc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217146 1313915176 /nfs/dbraw/zinc/91/51/76/1313915176.db2.gz RKAWAHLZFJQYPV-HNNXBMFYSA-N 1 3 330.476 2.806 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965932921 1303466920 /nfs/dbraw/zinc/46/69/20/1303466920.db2.gz DYZZYSZYTFYAQP-BDLNVGTCSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001208373391 1313914000 /nfs/dbraw/zinc/91/40/00/1313914000.db2.gz JFNLJJZPGDZLDA-UXHICEINSA-N 1 3 345.531 2.786 20 0 EFADHO O=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc2ccccc21 ZINC001239214783 1313914583 /nfs/dbraw/zinc/91/45/83/1313914583.db2.gz HUEZFHUPEDKFPE-INIZCTEOSA-N 1 3 338.455 2.836 20 0 EFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1cccc2ccccc21 ZINC001239214784 1313914749 /nfs/dbraw/zinc/91/47/49/1313914749.db2.gz HUEZFHUPEDKFPE-MRXNPFEDSA-N 1 3 338.455 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001208414622 1313923703 /nfs/dbraw/zinc/92/37/03/1313923703.db2.gz UFXAQGPICFCUPH-VQTJNVASSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H]1CN(Cc2cc3ccccc3o2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208434998 1313928195 /nfs/dbraw/zinc/92/81/95/1313928195.db2.gz NINJQSWSWJDGAO-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CNC2CC[NH+](C(C)C)CC2)C1 ZINC000866508889 1303667697 /nfs/dbraw/zinc/66/76/97/1303667697.db2.gz RSUSHOHQCUWKOW-OAQYLSRUSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](C[NH2+]C2CCN(C(C)C)CC2)C1 ZINC000866508889 1303667704 /nfs/dbraw/zinc/66/77/04/1303667704.db2.gz RSUSHOHQCUWKOW-OAQYLSRUSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](CNC2CC[NH+](C(C)C)CC2)C1 ZINC000866508888 1303667766 /nfs/dbraw/zinc/66/77/66/1303667766.db2.gz RSUSHOHQCUWKOW-NRFANRHFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@@H](C[NH2+]C2CCN(C(C)C)CC2)C1 ZINC000866508888 1303667772 /nfs/dbraw/zinc/66/77/72/1303667772.db2.gz RSUSHOHQCUWKOW-NRFANRHFSA-N 1 3 345.531 2.658 20 0 EFADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccccc1Cl ZINC001239362789 1313929609 /nfs/dbraw/zinc/92/96/09/1313929609.db2.gz LRLZBHDIMYMDSO-LBPRGKRZSA-N 1 3 338.908 2.501 20 0 EFADHO S=C(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc(Cl)cc1 ZINC001239364242 1313929620 /nfs/dbraw/zinc/92/96/20/1313929620.db2.gz USZSEYZZSAGFDF-AWEZNQCLSA-N 1 3 338.908 2.501 20 0 EFADHO CC(C)c1ccc(NC(=S)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239364222 1313929629 /nfs/dbraw/zinc/92/96/29/1313929629.db2.gz UGGLOGSFNYXAMU-KRWDZBQOSA-N 1 3 346.544 2.971 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(Cc3cccc(C)c3)CCO2)[C@H](C)C1 ZINC000866555569 1303682816 /nfs/dbraw/zinc/68/28/16/1303682816.db2.gz SJNKJMYAFARFEJ-GIVPXCGWSA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(Cc3cccc(C)c3)CCO2)[C@H](C)C1 ZINC000866555569 1303682824 /nfs/dbraw/zinc/68/28/24/1303682824.db2.gz SJNKJMYAFARFEJ-GIVPXCGWSA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001208454603 1313933331 /nfs/dbraw/zinc/93/33/31/1313933331.db2.gz YXENYCKBWCGDLM-KRWDZBQOSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001208454603 1313933333 /nfs/dbraw/zinc/93/33/33/1313933333.db2.gz YXENYCKBWCGDLM-KRWDZBQOSA-N 1 3 349.494 2.945 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCNCCC1(C)C ZINC000866700492 1303754781 /nfs/dbraw/zinc/75/47/81/1303754781.db2.gz YTFWBAJGKGXPIL-UHFFFAOYSA-N 1 3 339.867 2.751 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCNCCC1(C)C ZINC000866700492 1303754785 /nfs/dbraw/zinc/75/47/85/1303754785.db2.gz YTFWBAJGKGXPIL-UHFFFAOYSA-N 1 3 339.867 2.751 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037863854 1303801655 /nfs/dbraw/zinc/80/16/55/1303801655.db2.gz YVSSKKVDEOGILU-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037863849 1303801671 /nfs/dbraw/zinc/80/16/71/1303801671.db2.gz YVSSKKVDEOGILU-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(N(C)C)CCC2)c1 ZINC001114406369 1303889185 /nfs/dbraw/zinc/88/91/85/1303889185.db2.gz AUGIAVANVDJQMM-YSHGAJCASA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(N(C)C)CCC2)c1 ZINC001114406369 1303889190 /nfs/dbraw/zinc/88/91/90/1303889190.db2.gz AUGIAVANVDJQMM-YSHGAJCASA-N 1 3 341.499 2.587 20 0 EFADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000867988864 1304062148 /nfs/dbraw/zinc/06/21/48/1304062148.db2.gz WFWFAADMMQDELL-WIYYLYMNSA-N 1 3 335.451 2.743 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1C)N(CC)CC ZINC001208574640 1313965504 /nfs/dbraw/zinc/96/55/04/1313965504.db2.gz CGVFDGBWYXCIEE-KZNAEPCWSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C)N(CC)CC ZINC001208574640 1313965507 /nfs/dbraw/zinc/96/55/07/1313965507.db2.gz CGVFDGBWYXCIEE-KZNAEPCWSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001208575774 1313966249 /nfs/dbraw/zinc/96/62/49/1313966249.db2.gz UXZSZZJENCBCOW-KBAYOESNSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)N(CC)CC)C1 ZINC001208575774 1313966250 /nfs/dbraw/zinc/96/62/50/1313966250.db2.gz UXZSZZJENCBCOW-KBAYOESNSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276569419 1313967121 /nfs/dbraw/zinc/96/71/21/1313967121.db2.gz BNPLIJFNIUWWRD-IBGZPJMESA-N 1 3 327.476 2.843 20 0 EFADHO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)[nH]1 ZINC001276569419 1313967122 /nfs/dbraw/zinc/96/71/22/1313967122.db2.gz BNPLIJFNIUWWRD-IBGZPJMESA-N 1 3 327.476 2.843 20 0 EFADHO CC[NH+]1CCC(CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001208593159 1313970978 /nfs/dbraw/zinc/97/09/78/1313970978.db2.gz OVENEOPXFKVBMY-IAGOWNOFSA-N 1 3 337.508 2.660 20 0 EFADHO CC[NH+]1CCC(CN2CCN(c3noc4ccccc43)CC2)CC1 ZINC001208594302 1313971028 /nfs/dbraw/zinc/97/10/28/1313971028.db2.gz MKCVPXVBQSHWNN-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO CC[NH+]1CCC(CN2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)CC1 ZINC001208598984 1313972633 /nfs/dbraw/zinc/97/26/33/1313972633.db2.gz GZTSTKTXTXUZIT-KRWDZBQOSA-N 1 3 347.551 2.832 20 0 EFADHO CC[NH+]1CCC(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001208600945 1313973385 /nfs/dbraw/zinc/97/33/85/1313973385.db2.gz GWUQQXHXMPILON-UHFFFAOYSA-N 1 3 337.508 2.802 20 0 EFADHO CC[NH+]1CCC(CN2CC(C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001208602817 1313974158 /nfs/dbraw/zinc/97/41/58/1313974158.db2.gz OFZCXRRPRCDLSW-UHFFFAOYSA-N 1 3 325.497 2.565 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001208611481 1313978190 /nfs/dbraw/zinc/97/81/90/1313978190.db2.gz WDXUUMQWRFTSAM-HNNXBMFYSA-N 1 3 342.512 2.948 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001208611481 1313978192 /nfs/dbraw/zinc/97/81/92/1313978192.db2.gz WDXUUMQWRFTSAM-HNNXBMFYSA-N 1 3 342.512 2.948 20 0 EFADHO Oc1cc(O)cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276571428 1313979773 /nfs/dbraw/zinc/97/97/73/1313979773.db2.gz AMLWMEHCBKEXSI-CALCHBBNSA-N 1 3 341.455 2.770 20 0 EFADHO Oc1cc(O)cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276571428 1313979774 /nfs/dbraw/zinc/97/97/74/1313979774.db2.gz AMLWMEHCBKEXSI-CALCHBBNSA-N 1 3 341.455 2.770 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612694 1313979882 /nfs/dbraw/zinc/97/98/82/1313979882.db2.gz JIHZMUKKNGRVHE-APWZRJJASA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612694 1313979886 /nfs/dbraw/zinc/97/98/86/1313979886.db2.gz JIHZMUKKNGRVHE-APWZRJJASA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001018634518 1313981928 /nfs/dbraw/zinc/98/19/28/1313981928.db2.gz IOSFPWLUBMWSPQ-OALUTQOASA-N 1 3 343.515 2.769 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001018634519 1313982481 /nfs/dbraw/zinc/98/24/81/1313982481.db2.gz IOSFPWLUBMWSPQ-RBUKOAKNSA-N 1 3 343.515 2.769 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccccc2F)CC1)CC(C)(C)C ZINC001202526474 1304433408 /nfs/dbraw/zinc/43/34/08/1304433408.db2.gz IOQGEUSWMISJBK-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(C)cc1 ZINC001037935158 1304974619 /nfs/dbraw/zinc/97/46/19/1304974619.db2.gz PSEYERLVDKQYGX-MJGOQNOKSA-N 1 3 340.471 2.678 20 0 EFADHO O=c1cccc(C[N@H+]2CC[C@H]3CN(Cc4ccns4)C[C@H]3CC2)[nH]1 ZINC001276592187 1314024296 /nfs/dbraw/zinc/02/42/96/1314024296.db2.gz WJVWGRLWRKZWNI-GASCZTMLSA-N 1 3 344.484 2.588 20 0 EFADHO O=c1cccc(C[N@@H+]2CC[C@H]3CN(Cc4ccns4)C[C@H]3CC2)[nH]1 ZINC001276592187 1314024299 /nfs/dbraw/zinc/02/42/99/1314024299.db2.gz WJVWGRLWRKZWNI-GASCZTMLSA-N 1 3 344.484 2.588 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870189990 1305197810 /nfs/dbraw/zinc/19/78/10/1305197810.db2.gz SEYZJZWYMCHKRL-ROUUACIJSA-N 1 3 343.515 2.639 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CC1(C)CCCCC1)CC2 ZINC001208897471 1314042284 /nfs/dbraw/zinc/04/22/84/1314042284.db2.gz YWKGFTHIKYQWLK-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CC1(C)CCCCC1)CC2 ZINC001208897471 1314042286 /nfs/dbraw/zinc/04/22/86/1314042286.db2.gz YWKGFTHIKYQWLK-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208933437 1314051177 /nfs/dbraw/zinc/05/11/77/1314051177.db2.gz VJGRSHDSSZUGQF-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208933437 1314051181 /nfs/dbraw/zinc/05/11/81/1314051181.db2.gz VJGRSHDSSZUGQF-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO CC(=O)N(C)C1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938663 1314051503 /nfs/dbraw/zinc/05/15/03/1314051503.db2.gz CRFBVEVEURLRSN-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N(C)C1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938663 1314051506 /nfs/dbraw/zinc/05/15/06/1314051506.db2.gz CRFBVEVEURLRSN-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940569 1314053394 /nfs/dbraw/zinc/05/33/94/1314053394.db2.gz DTQNWXBSCKMGFZ-DLBZAZTESA-N 1 3 342.405 2.755 20 0 EFADHO OC[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940569 1314053396 /nfs/dbraw/zinc/05/33/96/1314053396.db2.gz DTQNWXBSCKMGFZ-DLBZAZTESA-N 1 3 342.405 2.755 20 0 EFADHO CCNC(=O)OC1CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208955387 1314057292 /nfs/dbraw/zinc/05/72/92/1314057292.db2.gz DTNSFTPLJGOKOH-SFHVURJKSA-N 1 3 345.487 2.719 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001037981969 1305582380 /nfs/dbraw/zinc/58/23/80/1305582380.db2.gz HUMWOJABMRKPME-PXNSSMCTSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000967925726 1305607522 /nfs/dbraw/zinc/60/75/22/1305607522.db2.gz QOHKTAYABYEGDH-UYAOXDASSA-N 1 3 337.467 2.625 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870892812 1305662378 /nfs/dbraw/zinc/66/23/78/1305662378.db2.gz MKPBHIFGMOQFHG-KDURUIRLSA-N 1 3 331.504 2.527 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870907989 1305672952 /nfs/dbraw/zinc/67/29/52/1305672952.db2.gz CNBORLAQTHXJPK-JCNLHEQBSA-N 1 3 337.895 2.748 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)c2)CC1 ZINC000870911139 1305677914 /nfs/dbraw/zinc/67/79/14/1305677914.db2.gz FUUKXDKKGPBGOJ-CALCHBBNSA-N 1 3 344.503 2.673 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141473 1305950312 /nfs/dbraw/zinc/95/03/12/1305950312.db2.gz FKWVQVHXIGDUDA-VQIMIIECSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141473 1305950316 /nfs/dbraw/zinc/95/03/16/1305950316.db2.gz FKWVQVHXIGDUDA-VQIMIIECSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2CCc1ccc(F)cc1Cl ZINC001209114082 1314091399 /nfs/dbraw/zinc/09/13/99/1314091399.db2.gz YFXDGRNLOPAMEM-MSOLQXFVSA-N 1 3 339.886 2.732 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2CCc1ccc(F)cc1Cl ZINC001209114082 1314091402 /nfs/dbraw/zinc/09/14/02/1314091402.db2.gz YFXDGRNLOPAMEM-MSOLQXFVSA-N 1 3 339.886 2.732 20 0 EFADHO COC1CCN(C2CC[NH+](CCCC(C)(C)OC(C)=O)CC2)CC1 ZINC001209158241 1314102943 /nfs/dbraw/zinc/10/29/43/1314102943.db2.gz MASZACZAZDJCGH-UHFFFAOYSA-N 1 3 340.508 2.684 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(CCCc3cccnc3)C2)C1 ZINC001209174773 1314106426 /nfs/dbraw/zinc/10/64/26/1314106426.db2.gz VBEFJDFQBAVOTE-HXUWFJFHSA-N 1 3 331.504 2.837 20 0 EFADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN(CCCc3cccnc3)C2)C1 ZINC001209174773 1314106429 /nfs/dbraw/zinc/10/64/29/1314106429.db2.gz VBEFJDFQBAVOTE-HXUWFJFHSA-N 1 3 331.504 2.837 20 0 EFADHO CCN([C@@H]1CCOC1)C1CC[NH+](CCCC(C)(C)OC(C)=O)CC1 ZINC001209152666 1314101390 /nfs/dbraw/zinc/10/13/90/1314101390.db2.gz DMFPEGYPSKHENX-GOSISDBHSA-N 1 3 340.508 2.684 20 0 EFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095965630 1306169230 /nfs/dbraw/zinc/16/92/30/1306169230.db2.gz YCZMERMTCJHNDC-XCLNPWKQSA-N 1 3 341.499 2.811 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018963731 1314112567 /nfs/dbraw/zinc/11/25/67/1314112567.db2.gz WNIFUMOKEKXSPM-SJORKVTESA-N 1 3 329.488 2.731 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001018963265 1314112584 /nfs/dbraw/zinc/11/25/84/1314112584.db2.gz GZXXHCZQRVNPAT-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001018962583 1314112611 /nfs/dbraw/zinc/11/26/11/1314112611.db2.gz GBHVDARQVGTMDJ-INIZCTEOSA-N 1 3 335.517 2.540 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001018962744 1314112809 /nfs/dbraw/zinc/11/28/09/1314112809.db2.gz KIVJZSVTYSOTGD-ROUUACIJSA-N 1 3 347.478 2.952 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001018966034 1314113866 /nfs/dbraw/zinc/11/38/66/1314113866.db2.gz BICKSAWNCUSCTJ-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001018966591 1314114175 /nfs/dbraw/zinc/11/41/75/1314114175.db2.gz NDSRDXRPMQQFKR-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001018971508 1314117595 /nfs/dbraw/zinc/11/75/95/1314117595.db2.gz DIQRACCLOYLCHB-PXNSSMCTSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001018991110 1314123952 /nfs/dbraw/zinc/12/39/52/1314123952.db2.gz YJHBCHDETAKGSA-ZWKOTPCHSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001018991110 1314123955 /nfs/dbraw/zinc/12/39/55/1314123955.db2.gz YJHBCHDETAKGSA-ZWKOTPCHSA-N 1 3 347.478 2.699 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCN(Cc1cc(Cl)cs1)CC2 ZINC001276631412 1314126222 /nfs/dbraw/zinc/12/62/22/1314126222.db2.gz WUCOVEDJLDOUSL-UHFFFAOYSA-N 1 3 327.925 2.861 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001209251938 1314126412 /nfs/dbraw/zinc/12/64/12/1314126412.db2.gz UIUYXTKIDLJAGH-MELADBBJSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001209251938 1314126413 /nfs/dbraw/zinc/12/64/13/1314126413.db2.gz UIUYXTKIDLJAGH-MELADBBJSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1)[NH+](C)C ZINC001019000940 1314127348 /nfs/dbraw/zinc/12/73/48/1314127348.db2.gz YPVITMPZMKKSPR-LPHOPBHVSA-N 1 3 343.471 2.710 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921046 1306487863 /nfs/dbraw/zinc/48/78/63/1306487863.db2.gz FWVPSRKDHZXLMP-NMPLWVNNSA-N 1 3 333.520 2.652 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921046 1306487866 /nfs/dbraw/zinc/48/78/66/1306487866.db2.gz FWVPSRKDHZXLMP-NMPLWVNNSA-N 1 3 333.520 2.652 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[C@@H](C1CC1)N1CCCC1 ZINC001097579693 1314132027 /nfs/dbraw/zinc/13/20/27/1314132027.db2.gz ACRNSQVYBGHFAX-YSTOQKLRSA-N 1 3 345.531 2.773 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[C@@H](C1CC1)N1CCCC1 ZINC001097579693 1314132030 /nfs/dbraw/zinc/13/20/30/1314132030.db2.gz ACRNSQVYBGHFAX-YSTOQKLRSA-N 1 3 345.531 2.773 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCCC1)[C@H](C1CC1)N1CCCC1 ZINC001097579694 1314132090 /nfs/dbraw/zinc/13/20/90/1314132090.db2.gz ACRNSQVYBGHFAX-ZRNYENFQSA-N 1 3 345.531 2.773 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1)[C@H](C1CC1)N1CCCC1 ZINC001097579694 1314132093 /nfs/dbraw/zinc/13/20/93/1314132093.db2.gz ACRNSQVYBGHFAX-ZRNYENFQSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674140 1306557806 /nfs/dbraw/zinc/55/78/06/1306557806.db2.gz PLDKEJVFSGNWMD-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674140 1306557808 /nfs/dbraw/zinc/55/78/08/1306557808.db2.gz PLDKEJVFSGNWMD-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680481 1306563298 /nfs/dbraw/zinc/56/32/98/1306563298.db2.gz AAHBOJSBQPVSSR-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680481 1306563302 /nfs/dbraw/zinc/56/33/02/1306563302.db2.gz AAHBOJSBQPVSSR-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683070 1306564747 /nfs/dbraw/zinc/56/47/47/1306564747.db2.gz XXBLWLIJTPSJIC-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683070 1306564753 /nfs/dbraw/zinc/56/47/53/1306564753.db2.gz XXBLWLIJTPSJIC-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO c1ccc(CN2CC3(C2)CC[NH+](CCCC2OCCO2)CC3)cc1 ZINC001209306933 1314136544 /nfs/dbraw/zinc/13/65/44/1314136544.db2.gz FLSZWSHKUWTOJY-UHFFFAOYSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@H+]2CC[C@@]3(CCN(CCCC4OCCO4)C3)C2)cc1 ZINC001209306942 1314136756 /nfs/dbraw/zinc/13/67/56/1314136756.db2.gz FWOMJLCJWHCJMP-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@@]3(CCN(CCCC4OCCO4)C3)C2)cc1 ZINC001209306942 1314136757 /nfs/dbraw/zinc/13/67/57/1314136757.db2.gz FWOMJLCJWHCJMP-HXUWFJFHSA-N 1 3 330.472 2.738 20 0 EFADHO CCN([C@@H]1CCOC1)C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC001209322091 1314138835 /nfs/dbraw/zinc/13/88/35/1314138835.db2.gz RHQBSOYAGXCMFT-OAQYLSRUSA-N 1 3 328.500 2.977 20 0 EFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC001209322091 1314138837 /nfs/dbraw/zinc/13/88/37/1314138837.db2.gz RHQBSOYAGXCMFT-OAQYLSRUSA-N 1 3 328.500 2.977 20 0 EFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC001209322091 1314138838 /nfs/dbraw/zinc/13/88/38/1314138838.db2.gz RHQBSOYAGXCMFT-OAQYLSRUSA-N 1 3 328.500 2.977 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044629682 1306673420 /nfs/dbraw/zinc/67/34/20/1306673420.db2.gz ONTBQOXSYLDSQJ-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628981 1306673521 /nfs/dbraw/zinc/67/35/21/1306673521.db2.gz KGZAOBZUBPLHRB-GOEBONIOSA-N 1 3 335.517 2.702 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628987 1306673618 /nfs/dbraw/zinc/67/36/18/1306673618.db2.gz KGZAOBZUBPLHRB-ZBFHGGJFSA-N 1 3 335.517 2.702 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H](C)C1 ZINC001044629680 1306673820 /nfs/dbraw/zinc/67/38/20/1306673820.db2.gz ONTBQOXSYLDSQJ-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1)N(C)C ZINC001019032291 1314142865 /nfs/dbraw/zinc/14/28/65/1314142865.db2.gz PADDEXATFFTDCR-DOTOQJQBSA-N 1 3 345.512 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001019032305 1314143098 /nfs/dbraw/zinc/14/30/98/1314143098.db2.gz PFBDEWRBMTWNME-YTQUADARSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001019033310 1314143475 /nfs/dbraw/zinc/14/34/75/1314143475.db2.gz IMWQCGYRPZOFQU-PKOBYXMFSA-N 1 3 331.504 2.643 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001019033670 1314143625 /nfs/dbraw/zinc/14/36/25/1314143625.db2.gz ZCBVXJJRYMGPBE-DLBZAZTESA-N 1 3 337.895 2.679 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001019034982 1314144070 /nfs/dbraw/zinc/14/40/70/1314144070.db2.gz VNIUXOVNDQFPPJ-RRQGHBQHSA-N 1 3 337.895 2.932 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)CC[N@@H+]1C ZINC000968863368 1306734885 /nfs/dbraw/zinc/73/48/85/1306734885.db2.gz GFTNPKCORNPKKS-KBAYOESNSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)CC[N@H+]1C ZINC000968863368 1306734887 /nfs/dbraw/zinc/73/48/87/1306734887.db2.gz GFTNPKCORNPKKS-KBAYOESNSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044749651 1306770434 /nfs/dbraw/zinc/77/04/34/1306770434.db2.gz KFUFCDWVGWDQKV-DLBZAZTESA-N 1 3 340.471 2.738 20 0 EFADHO c1cc(-c2ncc3c(n2)CNCC3)ccc1OCC[NH+]1CCCCC1 ZINC001241757855 1314146224 /nfs/dbraw/zinc/14/62/24/1314146224.db2.gz HRKDBVXWPOOYFJ-UHFFFAOYSA-N 1 3 338.455 2.654 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044748841 1306770925 /nfs/dbraw/zinc/77/09/25/1306770925.db2.gz GAESULZEXVPVDS-YOEHRIQHSA-N 1 3 344.434 2.591 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749988 1306771957 /nfs/dbraw/zinc/77/19/57/1306771957.db2.gz MDLXWDBQLBRIKA-WBVHZDCISA-N 1 3 332.492 2.892 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)cc1F ZINC001044753620 1306774330 /nfs/dbraw/zinc/77/43/30/1306774330.db2.gz DMFULFKZZJOZCR-GOEBONIOSA-N 1 3 344.434 2.569 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1F ZINC001044753625 1306774352 /nfs/dbraw/zinc/77/43/52/1306774352.db2.gz DMFULFKZZJOZCR-ZBFHGGJFSA-N 1 3 344.434 2.569 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000968904355 1306777403 /nfs/dbraw/zinc/77/74/03/1306777403.db2.gz QDXWOXLCCUWPGC-SJLPKXTDSA-N 1 3 329.488 2.731 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC000968912781 1306786031 /nfs/dbraw/zinc/78/60/31/1306786031.db2.gz RPBBMHQXSCYFGC-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912536 1306786112 /nfs/dbraw/zinc/78/61/12/1306786112.db2.gz JUFFCWRQXFZODT-CRAIPNDOSA-N 1 3 349.906 2.679 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC000968913002 1306787650 /nfs/dbraw/zinc/78/76/50/1306787650.db2.gz ZWSYPWOCQIPANP-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CCC1 ZINC000968922334 1306798596 /nfs/dbraw/zinc/79/85/96/1306798596.db2.gz XTWLOKOLHMGEEW-GOSISDBHSA-N 1 3 341.499 2.739 20 0 EFADHO C[N@H+]1CC[C@H]2CN(Cc3cccnc3NC(=O)C(C)(C)C)C[C@H]2CC1 ZINC001276637819 1314147868 /nfs/dbraw/zinc/14/78/68/1314147868.db2.gz LPORUXCEOUSVKG-IYBDPMFKSA-N 1 3 344.503 2.840 20 0 EFADHO C[N@@H+]1CC[C@H]2CN(Cc3cccnc3NC(=O)C(C)(C)C)C[C@H]2CC1 ZINC001276637819 1314147871 /nfs/dbraw/zinc/14/78/71/1314147871.db2.gz LPORUXCEOUSVKG-IYBDPMFKSA-N 1 3 344.503 2.840 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C[C@@H]2C)CC1 ZINC001044791476 1306804592 /nfs/dbraw/zinc/80/45/92/1306804592.db2.gz GXMSOXQWIQVHBF-FUHWJXTLSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1nc(Br)ccc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276638371 1314148763 /nfs/dbraw/zinc/14/87/63/1314148763.db2.gz VQZBKLQDILVTTI-GASCZTMLSA-N 1 3 338.293 2.926 20 0 EFADHO Cc1nc(Br)ccc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276638371 1314148767 /nfs/dbraw/zinc/14/87/67/1314148767.db2.gz VQZBKLQDILVTTI-GASCZTMLSA-N 1 3 338.293 2.926 20 0 EFADHO CCC[N@H+]1C[C@H]2CN(CCCCCNC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209377106 1314150221 /nfs/dbraw/zinc/15/02/21/1314150221.db2.gz XRWYXFNBAPKTPJ-CALCHBBNSA-N 1 3 339.524 2.955 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN(CCCCCNC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209377106 1314150224 /nfs/dbraw/zinc/15/02/24/1314150224.db2.gz XRWYXFNBAPKTPJ-CALCHBBNSA-N 1 3 339.524 2.955 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](CCCCCNC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209377106 1314150226 /nfs/dbraw/zinc/15/02/26/1314150226.db2.gz XRWYXFNBAPKTPJ-CALCHBBNSA-N 1 3 339.524 2.955 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](CCCCCNC(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209377106 1314150228 /nfs/dbraw/zinc/15/02/28/1314150228.db2.gz XRWYXFNBAPKTPJ-CALCHBBNSA-N 1 3 339.524 2.955 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000968990127 1306866704 /nfs/dbraw/zinc/86/67/04/1306866704.db2.gz SZNBIBQZSQVMLN-MOPGFXCFSA-N 1 3 331.504 2.526 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044857280 1306867252 /nfs/dbraw/zinc/86/72/52/1306867252.db2.gz HNTDCPYXMKAXAZ-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044857215 1306867588 /nfs/dbraw/zinc/86/75/88/1306867588.db2.gz GHDSLWCDGCBXNH-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857196 1306867741 /nfs/dbraw/zinc/86/77/41/1306867741.db2.gz GCHGDFGPISSOIA-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC001044858269 1306868326 /nfs/dbraw/zinc/86/83/26/1306868326.db2.gz QZLXOCPFLSUERF-WBVHZDCISA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cs1 ZINC001044857654 1306868503 /nfs/dbraw/zinc/86/85/03/1306868503.db2.gz MIYFOALGAQLLRF-RHSMWYFYSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044859093 1306869671 /nfs/dbraw/zinc/86/96/71/1306869671.db2.gz ZWFFNUYOZOXHAY-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC000969074890 1306950130 /nfs/dbraw/zinc/95/01/30/1306950130.db2.gz YLNLZBIVJGXNBH-JEBQAFNWSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC000969077301 1306951415 /nfs/dbraw/zinc/95/14/15/1306951415.db2.gz PEOUWTWXXXCCKH-QWFCFKBJSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1)N(C)C ZINC000969077023 1306951423 /nfs/dbraw/zinc/95/14/23/1306951423.db2.gz IXYVGWIFZLNZTA-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001045044325 1307012682 /nfs/dbraw/zinc/01/26/82/1307012682.db2.gz BNYWXGAARIPLMV-JENIJYKNSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001045044325 1307012689 /nfs/dbraw/zinc/01/26/89/1307012689.db2.gz BNYWXGAARIPLMV-JENIJYKNSA-N 1 3 347.478 2.637 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045060575 1307025218 /nfs/dbraw/zinc/02/52/18/1307025218.db2.gz XEMKARFQSJPPFU-HKUYNNGSSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045060575 1307025222 /nfs/dbraw/zinc/02/52/22/1307025222.db2.gz XEMKARFQSJPPFU-HKUYNNGSSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001045067133 1307030199 /nfs/dbraw/zinc/03/01/99/1307030199.db2.gz GULBCSNLIWFROY-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001045067493 1307030516 /nfs/dbraw/zinc/03/05/16/1307030516.db2.gz NAPZHGIPYVAGBE-RBUKOAKNSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001045067707 1307031047 /nfs/dbraw/zinc/03/10/47/1307031047.db2.gz QJTNCEFDSDUVOU-ZWKOTPCHSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1C ZINC001045069176 1307032452 /nfs/dbraw/zinc/03/24/52/1307032452.db2.gz UULRAPHQANBCKQ-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001045070496 1307032611 /nfs/dbraw/zinc/03/26/11/1307032611.db2.gz HYLWUJVLHRGOHD-IBGZPJMESA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001045070461 1307032770 /nfs/dbraw/zinc/03/27/70/1307032770.db2.gz GUBCWWXGMRJMCD-FQEVSTJZSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC001045070346 1307032930 /nfs/dbraw/zinc/03/29/30/1307032930.db2.gz DTJKBEWYZGTIRM-IBGZPJMESA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c(C)c1 ZINC001045070578 1307033419 /nfs/dbraw/zinc/03/34/19/1307033419.db2.gz LUMJJHXSQIDBKA-FQEVSTJZSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001045078668 1307037260 /nfs/dbraw/zinc/03/72/60/1307037260.db2.gz JCUVYHKAALNUHI-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001045078323 1307037327 /nfs/dbraw/zinc/03/73/27/1307037327.db2.gz FJXGECWVXUEGLY-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)N(C)C ZINC001045090150 1307044963 /nfs/dbraw/zinc/04/49/63/1307044963.db2.gz WGSYTXIERVKKQH-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001045089921 1307045379 /nfs/dbraw/zinc/04/53/79/1307045379.db2.gz QLMGUDBXEWCWMS-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001045089751 1307045395 /nfs/dbraw/zinc/04/53/95/1307045395.db2.gz OIJPXRDGUCKSJQ-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001045089419 1307045721 /nfs/dbraw/zinc/04/57/21/1307045721.db2.gz HYFJVIZPQLSLKI-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001209444163 1314163513 /nfs/dbraw/zinc/16/35/13/1314163513.db2.gz DRDXVYPBQLEOFV-GJZGRUSLSA-N 1 3 337.895 2.933 20 0 EFADHO Cc1ccc(CN[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001209455886 1314166494 /nfs/dbraw/zinc/16/64/94/1314166494.db2.gz WQPGUMIZUSUHIO-MRXNPFEDSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001045187149 1307122691 /nfs/dbraw/zinc/12/26/91/1307122691.db2.gz FJXGECWVXUEGLY-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC001045199635 1307133677 /nfs/dbraw/zinc/13/36/77/1307133677.db2.gz GKSQQDMGIYKMAV-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001045199643 1307134092 /nfs/dbraw/zinc/13/40/92/1307134092.db2.gz GUFKPMQMPFNLTI-QAPCUYQASA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001045199850 1307134682 /nfs/dbraw/zinc/13/46/82/1307134682.db2.gz KUUHPMZEIMVMNY-KDOFPFPSSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001045200194 1307134799 /nfs/dbraw/zinc/13/47/99/1307134799.db2.gz PDZLPKYDGIFHQA-LPHOPBHVSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001045200332 1307134827 /nfs/dbraw/zinc/13/48/27/1307134827.db2.gz UYVQUPNXIZJBIW-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001045199680 1307134946 /nfs/dbraw/zinc/13/49/46/1307134946.db2.gz HLLUXYKFJJFVEC-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001045199680 1307134947 /nfs/dbraw/zinc/13/49/47/1307134947.db2.gz HLLUXYKFJJFVEC-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001045200408 1307135351 /nfs/dbraw/zinc/13/53/51/1307135351.db2.gz XHBNBOLLBOMOBR-YJBOKZPZSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001045200658 1307136148 /nfs/dbraw/zinc/13/61/48/1307136148.db2.gz KWDISFKFUFXMGZ-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001045200658 1307136151 /nfs/dbraw/zinc/13/61/51/1307136151.db2.gz KWDISFKFUFXMGZ-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001045205707 1307137386 /nfs/dbraw/zinc/13/73/86/1307137386.db2.gz TUHJKVMQTNLPJW-ICSRJNTNSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001045205818 1307137825 /nfs/dbraw/zinc/13/78/25/1307137825.db2.gz ZPDQWZOXEPWPNI-IRXDYDNUSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310927 1307230065 /nfs/dbraw/zinc/23/00/65/1307230065.db2.gz WUBIQOYPNSNMQC-ROUUACIJSA-N 1 3 329.488 2.732 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1sccc1Cl ZINC001045310960 1307230126 /nfs/dbraw/zinc/23/01/26/1307230126.db2.gz ZAWUENVOMBNIFI-ZDUSSCGKSA-N 1 3 341.908 2.578 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001045311352 1307230190 /nfs/dbraw/zinc/23/01/90/1307230190.db2.gz IVONCVNBNUDYGT-MJGOQNOKSA-N 1 3 329.488 2.732 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310902 1307230218 /nfs/dbraw/zinc/23/02/18/1307230218.db2.gz WBBOASZGBBZSQV-SFHVURJKSA-N 1 3 349.906 2.825 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001045310915 1307230234 /nfs/dbraw/zinc/23/02/34/1307230234.db2.gz WIUKHPKAEOABMU-CVEARBPZSA-N 1 3 333.451 2.563 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001045310333 1307230495 /nfs/dbraw/zinc/23/04/95/1307230495.db2.gz KNKAQKBGFWQQOS-YJBOKZPZSA-N 1 3 333.451 2.563 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001045312203 1307231085 /nfs/dbraw/zinc/23/10/85/1307231085.db2.gz XXBBUHUPYIHUER-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045321474 1307239883 /nfs/dbraw/zinc/23/98/83/1307239883.db2.gz RUPXPQJLNRDYIN-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001045322048 1307240884 /nfs/dbraw/zinc/24/08/84/1307240884.db2.gz HCAXVNTYLPJEMI-IRXDYDNUSA-N 1 3 335.517 2.703 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045322013 1307240978 /nfs/dbraw/zinc/24/09/78/1307240978.db2.gz FKFIOBCSAQESJO-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1CNCc1ccccc1F ZINC001045322847 1307241276 /nfs/dbraw/zinc/24/12/76/1307241276.db2.gz OLOKBNGYVNKIEB-SFHVURJKSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001045438031 1307338704 /nfs/dbraw/zinc/33/87/04/1307338704.db2.gz IWTPWWQVPAGCSG-AWEZNQCLSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001045438031 1307338711 /nfs/dbraw/zinc/33/87/11/1307338711.db2.gz IWTPWWQVPAGCSG-AWEZNQCLSA-N 1 3 349.441 2.782 20 0 EFADHO CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(Cc2ccsc2)CC1 ZINC001045440415 1307341099 /nfs/dbraw/zinc/34/10/99/1307341099.db2.gz JZKVONFNWJCZDT-KRWDZBQOSA-N 1 3 347.528 2.561 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001045444820 1307343450 /nfs/dbraw/zinc/34/34/50/1307343450.db2.gz XYZLYSVGSRIPOM-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001045444820 1307343453 /nfs/dbraw/zinc/34/34/53/1307343453.db2.gz XYZLYSVGSRIPOM-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007324776 1307367285 /nfs/dbraw/zinc/36/72/85/1307367285.db2.gz FKHMMMAXPMDDTH-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007324776 1307367290 /nfs/dbraw/zinc/36/72/90/1307367290.db2.gz FKHMMMAXPMDDTH-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001007368309 1307391256 /nfs/dbraw/zinc/39/12/56/1307391256.db2.gz DZWGUNCTLNPYNY-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001007368309 1307391260 /nfs/dbraw/zinc/39/12/60/1307391260.db2.gz DZWGUNCTLNPYNY-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007368690 1307393253 /nfs/dbraw/zinc/39/32/53/1307393253.db2.gz QVFDIQADJOWGEI-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007368690 1307393257 /nfs/dbraw/zinc/39/32/57/1307393257.db2.gz QVFDIQADJOWGEI-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007376731 1307397360 /nfs/dbraw/zinc/39/73/60/1307397360.db2.gz MDQXWYVSDPJWNV-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007376731 1307397364 /nfs/dbraw/zinc/39/73/64/1307397364.db2.gz MDQXWYVSDPJWNV-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(CCC(F)(F)F)CC2)CC[N@@H+]1C ZINC001045534500 1307409423 /nfs/dbraw/zinc/40/94/23/1307409423.db2.gz LJKIRDZMWGBWDP-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(CCC(F)(F)F)CC2)CC[N@H+]1C ZINC001045534500 1307409425 /nfs/dbraw/zinc/40/94/25/1307409425.db2.gz LJKIRDZMWGBWDP-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001045556047 1307427552 /nfs/dbraw/zinc/42/75/52/1307427552.db2.gz CURVFPQVTBJTTN-WMLDXEAASA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001045556047 1307427554 /nfs/dbraw/zinc/42/75/54/1307427554.db2.gz CURVFPQVTBJTTN-WMLDXEAASA-N 1 3 349.544 2.725 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001007457165 1307447531 /nfs/dbraw/zinc/44/75/31/1307447531.db2.gz JGEMUWZOYFMTSG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001007457165 1307447533 /nfs/dbraw/zinc/44/75/33/1307447533.db2.gz JGEMUWZOYFMTSG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007457165 1307447538 /nfs/dbraw/zinc/44/75/38/1307447538.db2.gz JGEMUWZOYFMTSG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007457165 1307447541 /nfs/dbraw/zinc/44/75/41/1307447541.db2.gz JGEMUWZOYFMTSG-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC001045622551 1307479165 /nfs/dbraw/zinc/47/91/65/1307479165.db2.gz HQPCUVFHGIQRCX-UHFFFAOYSA-N 1 3 347.528 2.623 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640305 1307494029 /nfs/dbraw/zinc/49/40/29/1307494029.db2.gz MVFHTHXBJSOOCX-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640305 1307494030 /nfs/dbraw/zinc/49/40/30/1307494030.db2.gz MVFHTHXBJSOOCX-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2(C)CC[NH+](CC3CC3)CC2)c1 ZINC001045647107 1307499234 /nfs/dbraw/zinc/49/92/34/1307499234.db2.gz SBXNULBNGHKVMW-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(CC13CC(NC(=O)OC(C)(C)C)(C1)C3)C2 ZINC001276653805 1314192007 /nfs/dbraw/zinc/19/20/07/1314192007.db2.gz SENBYBCXDXUVBL-XEVCZEQESA-N 1 3 349.519 2.852 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(CC13CC(NC(=O)OC(C)(C)C)(C1)C3)C2 ZINC001276653805 1314192009 /nfs/dbraw/zinc/19/20/09/1314192009.db2.gz SENBYBCXDXUVBL-XEVCZEQESA-N 1 3 349.519 2.852 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001007649734 1307542627 /nfs/dbraw/zinc/54/26/27/1307542627.db2.gz WZLQEFDLAZTZQT-DLBZAZTESA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@H]3CCCCN3C)C2)cs1 ZINC001007649734 1307542631 /nfs/dbraw/zinc/54/26/31/1307542631.db2.gz WZLQEFDLAZTZQT-DLBZAZTESA-N 1 3 335.517 2.621 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007748964 1307579986 /nfs/dbraw/zinc/57/99/86/1307579986.db2.gz TUMBJPHSNRWAAX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007748964 1307579989 /nfs/dbraw/zinc/57/99/89/1307579989.db2.gz TUMBJPHSNRWAAX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045789924 1307602573 /nfs/dbraw/zinc/60/25/73/1307602573.db2.gz ZZEFMEUJNBMVEJ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045789924 1307602580 /nfs/dbraw/zinc/60/25/80/1307602580.db2.gz ZZEFMEUJNBMVEJ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001097695145 1314199010 /nfs/dbraw/zinc/19/90/10/1314199010.db2.gz SZIZITRPDHLKEI-MKXGPGLRSA-N 1 3 333.520 2.796 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C(C)C)C1 ZINC001097695145 1314199013 /nfs/dbraw/zinc/19/90/13/1314199013.db2.gz SZIZITRPDHLKEI-MKXGPGLRSA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](NCc2ncccc2C)C1)[NH+](CC)CC ZINC001209613651 1314200224 /nfs/dbraw/zinc/20/02/24/1314200224.db2.gz KRXUEGMTEBLDEY-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001045809650 1307668963 /nfs/dbraw/zinc/66/89/63/1307668963.db2.gz NUYHNAZSLIMFJJ-XZFCPUPVSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001045809650 1307668967 /nfs/dbraw/zinc/66/89/67/1307668967.db2.gz NUYHNAZSLIMFJJ-XZFCPUPVSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001045809650 1307668972 /nfs/dbraw/zinc/66/89/72/1307668972.db2.gz NUYHNAZSLIMFJJ-XZFCPUPVSA-N 1 3 344.846 2.766 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276658656 1314202989 /nfs/dbraw/zinc/20/29/89/1314202989.db2.gz SAYCHBQYEDUBBT-FQEVSTJZSA-N 1 3 332.536 2.890 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276658656 1314202992 /nfs/dbraw/zinc/20/29/92/1314202992.db2.gz SAYCHBQYEDUBBT-FQEVSTJZSA-N 1 3 332.536 2.890 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001209632104 1314204105 /nfs/dbraw/zinc/20/41/05/1314204105.db2.gz KATKPSSKAHLLQB-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001209633742 1314204510 /nfs/dbraw/zinc/20/45/10/1314204510.db2.gz WXHWYMVOXZXWMK-SJLPKXTDSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001209633740 1314204727 /nfs/dbraw/zinc/20/47/27/1314204727.db2.gz WXHWYMVOXZXWMK-AEFFLSMTSA-N 1 3 349.544 2.746 20 0 EFADHO [NH3+]C1CCN(Cc2ccccc2-c2ccc(-n3ccnn3)cc2)CC1 ZINC001242416722 1314205926 /nfs/dbraw/zinc/20/59/26/1314205926.db2.gz JCIAARWGJRLNPC-UHFFFAOYSA-N 1 3 333.439 2.857 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900175128 1307744017 /nfs/dbraw/zinc/74/40/17/1307744017.db2.gz SRHGBLYIZGVOCN-NVXWUHKLSA-N 1 3 331.460 2.712 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900175128 1307744023 /nfs/dbraw/zinc/74/40/23/1307744023.db2.gz SRHGBLYIZGVOCN-NVXWUHKLSA-N 1 3 331.460 2.712 20 0 EFADHO CC(C)=CCN1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061241 1307792856 /nfs/dbraw/zinc/79/28/56/1307792856.db2.gz IADFTDBKLMLBCT-LJQANCHMSA-N 1 3 343.515 2.951 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)C1 ZINC001045878354 1307797879 /nfs/dbraw/zinc/79/78/79/1307797879.db2.gz QOVGRRWHEMACAD-NXHRZFHOSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)C1 ZINC001045878354 1307797884 /nfs/dbraw/zinc/79/78/84/1307797884.db2.gz QOVGRRWHEMACAD-NXHRZFHOSA-N 1 3 347.528 2.655 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659686 1314211801 /nfs/dbraw/zinc/21/18/01/1314211801.db2.gz HNOYBHBUFRCFAX-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001008161475 1307871572 /nfs/dbraw/zinc/87/15/72/1307871572.db2.gz HBXXNEKKQZHOME-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045937741 1307937735 /nfs/dbraw/zinc/93/77/35/1307937735.db2.gz JKHREJDJMNXKTI-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045937741 1307937738 /nfs/dbraw/zinc/93/77/38/1307937738.db2.gz JKHREJDJMNXKTI-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937887 1307939643 /nfs/dbraw/zinc/93/96/43/1307939643.db2.gz MUQLBUUAKQDGLU-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001045937887 1307939647 /nfs/dbraw/zinc/93/96/47/1307939647.db2.gz MUQLBUUAKQDGLU-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001045943461 1307958158 /nfs/dbraw/zinc/95/81/58/1307958158.db2.gz ISXRJDOIYNEBIW-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001045943461 1307958163 /nfs/dbraw/zinc/95/81/63/1307958163.db2.gz ISXRJDOIYNEBIW-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001045946807 1307968390 /nfs/dbraw/zinc/96/83/90/1307968390.db2.gz AFKIWVWPZGPYRF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001045946807 1307968398 /nfs/dbraw/zinc/96/83/98/1307968398.db2.gz AFKIWVWPZGPYRF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCc3cccs3)C2)CC[N@@H+]1C ZINC001008313665 1307983646 /nfs/dbraw/zinc/98/36/46/1307983646.db2.gz MNABTKXNWVDZQB-YESZJQIVSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(CCc3cccs3)C2)CC[N@H+]1C ZINC001008313665 1307983650 /nfs/dbraw/zinc/98/36/50/1307983650.db2.gz MNABTKXNWVDZQB-YESZJQIVSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045965003 1308019050 /nfs/dbraw/zinc/01/90/50/1308019050.db2.gz QYVZZIVNMNNDKG-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045965003 1308019057 /nfs/dbraw/zinc/01/90/57/1308019057.db2.gz QYVZZIVNMNNDKG-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1c[nH+]ccc1N)C2 ZINC001209729457 1314223618 /nfs/dbraw/zinc/22/36/18/1314223618.db2.gz KUWWTJWNRYLXCK-LJQANCHMSA-N 1 3 346.475 2.717 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968638 1308030065 /nfs/dbraw/zinc/03/00/65/1308030065.db2.gz FGBKCJKXWKFQSJ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968638 1308030071 /nfs/dbraw/zinc/03/00/71/1308030071.db2.gz FGBKCJKXWKFQSJ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402214 1308047653 /nfs/dbraw/zinc/04/76/53/1308047653.db2.gz ZLHNOQKQCPGPFM-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO Nc1cc[nH+]cc1CN1CC[C@@H](Oc2cccc(Br)c2)C1 ZINC001209733621 1314224898 /nfs/dbraw/zinc/22/48/98/1314224898.db2.gz OZUCOTSMNRKXEP-OAHLLOKOSA-N 1 3 348.244 2.910 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510462 1308125399 /nfs/dbraw/zinc/12/53/99/1308125399.db2.gz REAMTZZMOPKCPQ-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510462 1308125403 /nfs/dbraw/zinc/12/54/03/1308125403.db2.gz REAMTZZMOPKCPQ-QFBILLFUSA-N 1 3 341.515 2.826 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001019241536 1314234742 /nfs/dbraw/zinc/23/47/42/1314234742.db2.gz HBWRERBAYMJUDA-DOPJRALCSA-N 1 3 347.890 2.612 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC001008760579 1308271188 /nfs/dbraw/zinc/27/11/88/1308271188.db2.gz KCMZXEMKCGAKGS-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001008762180 1308271880 /nfs/dbraw/zinc/27/18/80/1308271880.db2.gz UFDGAYXATQMGEG-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cnccn3)C[C@@H]21 ZINC001209782358 1314238687 /nfs/dbraw/zinc/23/86/87/1314238687.db2.gz ZXMFSYBGZAKBER-FFZOFVMBSA-N 1 3 337.471 2.604 20 0 EFADHO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cnccn3)C[C@@H]21 ZINC001209782358 1314238691 /nfs/dbraw/zinc/23/86/91/1314238691.db2.gz ZXMFSYBGZAKBER-FFZOFVMBSA-N 1 3 337.471 2.604 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622191 1308301198 /nfs/dbraw/zinc/30/11/98/1308301198.db2.gz IFTZSLOWBZMHDZ-RTBURBONSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622191 1308301203 /nfs/dbraw/zinc/30/12/03/1308301203.db2.gz IFTZSLOWBZMHDZ-RTBURBONSA-N 1 3 347.547 2.879 20 0 EFADHO c1c[nH]c(C[N@H+]2CCC3(C2)CCN(Cc2n[nH]c4c2CCC4)CC3)c1 ZINC001276673155 1314240988 /nfs/dbraw/zinc/24/09/88/1314240988.db2.gz GXPUNWNWXANQJN-UHFFFAOYSA-N 1 3 339.487 2.715 20 0 EFADHO c1c[nH]c(C[N@@H+]2CCC3(C2)CCN(Cc2n[nH]c4c2CCC4)CC3)c1 ZINC001276673155 1314240991 /nfs/dbraw/zinc/24/09/91/1314240991.db2.gz GXPUNWNWXANQJN-UHFFFAOYSA-N 1 3 339.487 2.715 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009201454 1308427354 /nfs/dbraw/zinc/42/73/54/1308427354.db2.gz KNOJAZZEZOKAFH-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009201454 1308427356 /nfs/dbraw/zinc/42/73/56/1308427356.db2.gz KNOJAZZEZOKAFH-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009225671 1308438711 /nfs/dbraw/zinc/43/87/11/1308438711.db2.gz OIBUYWGXGRPSLG-QZTJIDSGSA-N 1 3 341.499 2.732 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001046316030 1308532021 /nfs/dbraw/zinc/53/20/21/1308532021.db2.gz MJWIVYOOURVFQV-QUCCMNQESA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001046316030 1308532023 /nfs/dbraw/zinc/53/20/23/1308532023.db2.gz MJWIVYOOURVFQV-QUCCMNQESA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001046316028 1308532373 /nfs/dbraw/zinc/53/23/73/1308532373.db2.gz MJWIVYOOURVFQV-AZUAARDMSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001046316028 1308532376 /nfs/dbraw/zinc/53/23/76/1308532376.db2.gz MJWIVYOOURVFQV-AZUAARDMSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046317735 1308532801 /nfs/dbraw/zinc/53/28/01/1308532801.db2.gz UZMOJLWYTDFFPY-PZJWPPBQSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046317735 1308532802 /nfs/dbraw/zinc/53/28/02/1308532802.db2.gz UZMOJLWYTDFFPY-PZJWPPBQSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001046333325 1308548872 /nfs/dbraw/zinc/54/88/72/1308548872.db2.gz YKGNAHPXNTZLHE-XFQXTVEOSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001046333325 1308548875 /nfs/dbraw/zinc/54/88/75/1308548875.db2.gz YKGNAHPXNTZLHE-XFQXTVEOSA-N 1 3 347.478 2.577 20 0 EFADHO O=C(C[NH+]1CCCC1)N[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC001009531132 1308561519 /nfs/dbraw/zinc/56/15/19/1308561519.db2.gz RQKRHBWDPKPSEY-QGZVFWFLSA-N 1 3 341.455 2.609 20 0 EFADHO CC(C)=CCN1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614727 1308585993 /nfs/dbraw/zinc/58/59/93/1308585993.db2.gz YNYJRMFKGHCEEV-LJQANCHMSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627835 1308589649 /nfs/dbraw/zinc/58/96/49/1308589649.db2.gz ODASPBJKCWHVPJ-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627835 1308589656 /nfs/dbraw/zinc/58/96/56/1308589656.db2.gz ODASPBJKCWHVPJ-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001009629716 1308591604 /nfs/dbraw/zinc/59/16/04/1308591604.db2.gz UWGVGVQCJIJOEH-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001009629716 1308591605 /nfs/dbraw/zinc/59/16/05/1308591605.db2.gz UWGVGVQCJIJOEH-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CO[C@@H]1C[N@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001413208778 1308633950 /nfs/dbraw/zinc/63/39/50/1308633950.db2.gz JHXSJAOSUQPJSX-SFHLNBCPSA-N 1 3 346.515 2.616 20 0 EFADHO CO[C@@H]1C[N@@H+](C[C@@]2(C(C)(C)C)CCN(Cc3ccccc3)C2)C[C@H]1O ZINC001413208778 1308633952 /nfs/dbraw/zinc/63/39/52/1308633952.db2.gz JHXSJAOSUQPJSX-SFHLNBCPSA-N 1 3 346.515 2.616 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001046598139 1308885026 /nfs/dbraw/zinc/88/50/26/1308885026.db2.gz MBKITHDWSPHYRJ-FQEVSTJZSA-N 1 3 347.478 2.579 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210041175 1314274708 /nfs/dbraw/zinc/27/47/08/1314274708.db2.gz QSODGYBXYYFICK-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210041175 1314274711 /nfs/dbraw/zinc/27/47/11/1314274711.db2.gz QSODGYBXYYFICK-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC001019325402 1314276219 /nfs/dbraw/zinc/27/62/19/1314276219.db2.gz ZKNHFBGORRJSSH-KRWDZBQOSA-N 1 3 349.906 2.681 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(C)sc2C)C[C@H]1C ZINC001210051880 1314276291 /nfs/dbraw/zinc/27/62/91/1314276291.db2.gz YIOBAJYQUOVJQD-CXAGYDPISA-N 1 3 337.533 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(C)sc2C)C[C@H]1C ZINC001210051880 1314276293 /nfs/dbraw/zinc/27/62/93/1314276293.db2.gz YIOBAJYQUOVJQD-CXAGYDPISA-N 1 3 337.533 2.643 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019337724 1314280733 /nfs/dbraw/zinc/28/07/33/1314280733.db2.gz XOGQLVFJDLJBOE-YTQUADARSA-N 1 3 331.504 2.833 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCOCC)C1 ZINC001210181142 1314292598 /nfs/dbraw/zinc/29/25/98/1314292598.db2.gz BUGZPVKQPXQWEG-GOSISDBHSA-N 1 3 341.540 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001210183328 1314292682 /nfs/dbraw/zinc/29/26/82/1314292682.db2.gz OIXDTXXDQDFAHX-IAGOWNOFSA-N 1 3 329.504 2.827 20 0 EFADHO CC(C)=CCN1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046705438 1309137782 /nfs/dbraw/zinc/13/77/82/1309137782.db2.gz ABUBWJRUCQSGDE-HXUWFJFHSA-N 1 3 329.488 2.909 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001210175775 1314292038 /nfs/dbraw/zinc/29/20/38/1314292038.db2.gz SBXPBEDWMSGYIZ-LJQANCHMSA-N 1 3 346.519 2.674 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001210181131 1314292753 /nfs/dbraw/zinc/29/27/53/1314292753.db2.gz BONMCBLUWAGGPM-ZWKOTPCHSA-N 1 3 341.540 2.504 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001210217038 1314296288 /nfs/dbraw/zinc/29/62/88/1314296288.db2.gz CHBUYQMJNZEHQD-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210217144 1314296318 /nfs/dbraw/zinc/29/63/18/1314296318.db2.gz DJDGEZXTNNUHCE-ICEKFOEVSA-N 1 3 329.488 2.622 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210216863 1314296683 /nfs/dbraw/zinc/29/66/83/1314296683.db2.gz AOACCAYGXSMWDE-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210219742 1314296844 /nfs/dbraw/zinc/29/68/44/1314296844.db2.gz UBNLHLIGPOJOGE-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001210219954 1314297296 /nfs/dbraw/zinc/29/72/96/1314297296.db2.gz VPAGNYMTNDATDN-AEFFLSMTSA-N 1 3 347.503 2.679 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001210221306 1314297746 /nfs/dbraw/zinc/29/77/46/1314297746.db2.gz ZLJUQOQNSRIRBH-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001019381261 1314302957 /nfs/dbraw/zinc/30/29/57/1314302957.db2.gz CUHGFOKRLQLSIJ-DYVFJYSZSA-N 1 3 335.517 2.540 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210230211 1314298953 /nfs/dbraw/zinc/29/89/53/1314298953.db2.gz VLNQUUVJTPBIEG-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001210228438 1314298968 /nfs/dbraw/zinc/29/89/68/1314298968.db2.gz IQFBWNWGJJJYRQ-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001019381785 1314302981 /nfs/dbraw/zinc/30/29/81/1314302981.db2.gz VAKWUYWIPWFFMJ-WBVHZDCISA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001019380736 1314302823 /nfs/dbraw/zinc/30/28/23/1314302823.db2.gz KWYQDNGKEDYLBO-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001019381230 1314303308 /nfs/dbraw/zinc/30/33/08/1314303308.db2.gz BROSQKZEEMBURG-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001019381784 1314303596 /nfs/dbraw/zinc/30/35/96/1314303596.db2.gz VAKWUYWIPWFFMJ-RDJZCZTQSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(Cl)c1 ZINC001019383163 1314304443 /nfs/dbraw/zinc/30/44/43/1314304443.db2.gz XZDMWGZQJHWDIE-RDJZCZTQSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(Cl)c1 ZINC001019383163 1314304447 /nfs/dbraw/zinc/30/44/47/1314304447.db2.gz XZDMWGZQJHWDIE-RDJZCZTQSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1F ZINC001019386742 1314306420 /nfs/dbraw/zinc/30/64/20/1314306420.db2.gz VCYXIIGYBBUSOI-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001019386931 1314307088 /nfs/dbraw/zinc/30/70/88/1314307088.db2.gz YWFUKFSMSBSTEK-ABHNRTSZSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001019394215 1314310356 /nfs/dbraw/zinc/31/03/56/1314310356.db2.gz BHOUGQPNCGWUEJ-JDFRZJQESA-N 1 3 339.430 2.557 20 0 EFADHO CCCc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046831698 1309478145 /nfs/dbraw/zinc/47/81/45/1309478145.db2.gz QIFXYNSYZNKJRK-TZIWHRDSSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046831698 1309478151 /nfs/dbraw/zinc/47/81/51/1309478151.db2.gz QIFXYNSYZNKJRK-TZIWHRDSSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046831695 1309478442 /nfs/dbraw/zinc/47/84/42/1309478442.db2.gz QIFXYNSYZNKJRK-CTNGQTDRSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046831695 1309478446 /nfs/dbraw/zinc/47/84/46/1309478446.db2.gz QIFXYNSYZNKJRK-CTNGQTDRSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001052712121 1314318626 /nfs/dbraw/zinc/31/86/26/1314318626.db2.gz FPVMSDCKTRIESP-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001052712121 1314318628 /nfs/dbraw/zinc/31/86/28/1314318628.db2.gz FPVMSDCKTRIESP-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052712602 1314319051 /nfs/dbraw/zinc/31/90/51/1314319051.db2.gz LJHQYNLUXXDJEU-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052712602 1314319054 /nfs/dbraw/zinc/31/90/54/1314319054.db2.gz LJHQYNLUXXDJEU-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCC3CCCC3)CC2)C1 ZINC001052712605 1314319165 /nfs/dbraw/zinc/31/91/65/1314319165.db2.gz LJHQYNLUXXDJEU-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCC3CCCC3)CC2)C1 ZINC001052712605 1314319169 /nfs/dbraw/zinc/31/91/69/1314319169.db2.gz LJHQYNLUXXDJEU-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851592 1309523873 /nfs/dbraw/zinc/52/38/73/1309523873.db2.gz IIPJUQFTRLJIBS-BEFAXECRSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851592 1309523888 /nfs/dbraw/zinc/52/38/88/1309523888.db2.gz IIPJUQFTRLJIBS-BEFAXECRSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052715276 1314320687 /nfs/dbraw/zinc/32/06/87/1314320687.db2.gz BXMLIDUYVHOAPU-IAGOWNOFSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052715276 1314320690 /nfs/dbraw/zinc/32/06/90/1314320690.db2.gz BXMLIDUYVHOAPU-IAGOWNOFSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426494 1314332025 /nfs/dbraw/zinc/33/20/25/1314332025.db2.gz GSEDAOQPCWDGAK-IEYVCLCVSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001019435346 1314336861 /nfs/dbraw/zinc/33/68/61/1314336861.db2.gz CWCGZOIEHAKWMX-CVEARBPZSA-N 1 3 326.444 2.521 20 0 EFADHO CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001046977322 1309823990 /nfs/dbraw/zinc/82/39/90/1309823990.db2.gz GKWAGBOFKBVBMP-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001046977322 1309823994 /nfs/dbraw/zinc/82/39/94/1309823994.db2.gz GKWAGBOFKBVBMP-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(CC)c2)C[C@H]1C ZINC001210485382 1314340759 /nfs/dbraw/zinc/34/07/59/1314340759.db2.gz IVYLRTXXKIOSIX-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cccc(CC)c2)C[C@H]1C ZINC001210485382 1314340763 /nfs/dbraw/zinc/34/07/63/1314340763.db2.gz IVYLRTXXKIOSIX-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046988650 1309859639 /nfs/dbraw/zinc/85/96/39/1309859639.db2.gz QOQUZIKKRWWAFL-INIZCTEOSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001210502727 1314343926 /nfs/dbraw/zinc/34/39/26/1314343926.db2.gz JOVSEJZRWPIESM-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001210502727 1314343928 /nfs/dbraw/zinc/34/39/28/1314343928.db2.gz JOVSEJZRWPIESM-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2)N1CCCC1 ZINC001047121298 1310151136 /nfs/dbraw/zinc/15/11/36/1310151136.db2.gz GFPOOGPGTMMKEJ-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2)N1CCCC1 ZINC001047121298 1310151141 /nfs/dbraw/zinc/15/11/41/1310151141.db2.gz GFPOOGPGTMMKEJ-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO [NH3+]CCOc1cccc(-c2cccc3cc([C@@H]4CNCCO4)cn32)c1 ZINC001244324583 1314371216 /nfs/dbraw/zinc/37/12/16/1314371216.db2.gz AHTASNXIHMMGMU-FQEVSTJZSA-N 1 3 337.423 2.605 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCC1)C2 ZINC001047190708 1310279005 /nfs/dbraw/zinc/27/90/05/1310279005.db2.gz WTJORSBCGGPBAF-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCC1)C2 ZINC001047190708 1310279009 /nfs/dbraw/zinc/27/90/09/1310279009.db2.gz WTJORSBCGGPBAF-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC(C)C)CC2)C1)N(C)C ZINC001047242136 1310393185 /nfs/dbraw/zinc/39/31/85/1310393185.db2.gz BTEWZRSMLOATGH-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243379 1310397612 /nfs/dbraw/zinc/39/76/12/1310397612.db2.gz KGQAREJUTSZHNP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019558897 1314383569 /nfs/dbraw/zinc/38/35/69/1314383569.db2.gz ROTWYQQSVCNKHQ-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244425 1310400228 /nfs/dbraw/zinc/40/02/28/1310400228.db2.gz QYTRNEGAPPRPIM-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244487 1310400504 /nfs/dbraw/zinc/40/05/04/1310400504.db2.gz SNRZPVAVVFVEPU-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1F ZINC001019560446 1314383737 /nfs/dbraw/zinc/38/37/37/1314383737.db2.gz GUJWYPZJFDIINQ-SFHVURJKSA-N 1 3 347.478 2.557 20 0 EFADHO CN1CCc2ccc(Nc3cnn(C4CC[NH+](C)CC4)c3)cc2C1 ZINC001210758160 1314383862 /nfs/dbraw/zinc/38/38/62/1314383862.db2.gz HRYXMWWFIUFXCI-UHFFFAOYSA-N 1 3 325.460 2.881 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC001019560591 1314384167 /nfs/dbraw/zinc/38/41/67/1314384167.db2.gz OCSMYIVTJILHGB-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC001019560476 1314384228 /nfs/dbraw/zinc/38/42/28/1314384228.db2.gz IBQDTZHUBLFBBC-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001019560784 1314384294 /nfs/dbraw/zinc/38/42/94/1314384294.db2.gz YGOMPVXERIWCKW-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001047255871 1310429594 /nfs/dbraw/zinc/42/95/94/1310429594.db2.gz FLGLGGZCUYNCKC-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047257550 1310433386 /nfs/dbraw/zinc/43/33/86/1310433386.db2.gz QKSLMJLIKQKULP-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258888 1310437223 /nfs/dbraw/zinc/43/72/23/1310437223.db2.gz IIWXBBILKNSSNA-GOSISDBHSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001210782120 1314386770 /nfs/dbraw/zinc/38/67/70/1314386770.db2.gz IWWLAASNBVOJGF-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210783383 1314386925 /nfs/dbraw/zinc/38/69/25/1314386925.db2.gz SKKNMXYSDODTLQ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210783378 1314387040 /nfs/dbraw/zinc/38/70/40/1314387040.db2.gz SKCGIMYYJAGLBD-ABMFHFBKSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2CC)C1 ZINC001210788563 1314388343 /nfs/dbraw/zinc/38/83/43/1314388343.db2.gz FIMNTWVVYJDRDZ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001210788300 1314388467 /nfs/dbraw/zinc/38/84/67/1314388467.db2.gz AQXAELKQAWEPDY-GOSISDBHSA-N 1 3 335.467 2.579 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001210812275 1314392551 /nfs/dbraw/zinc/39/25/51/1314392551.db2.gz WARMKTAODAXJLZ-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210812331 1314392615 /nfs/dbraw/zinc/39/26/15/1314392615.db2.gz XSFFUSAYLLPPDO-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccccc3F)C2)CC1 ZINC001019592973 1314392774 /nfs/dbraw/zinc/39/27/74/1314392774.db2.gz BBJPFHYNKXIIFI-SFHVURJKSA-N 1 3 347.478 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210812244 1314392929 /nfs/dbraw/zinc/39/29/29/1314392929.db2.gz VQSHHKFHLXXXNC-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC/C=C\CCN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669715 1311009850 /nfs/dbraw/zinc/00/98/50/1311009850.db2.gz XGYMPBDBSRDQCH-XOIGSVRCSA-N 1 3 345.531 2.894 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711061 1311017827 /nfs/dbraw/zinc/01/78/27/1311017827.db2.gz WXFUARLDALTPOE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711061 1311017830 /nfs/dbraw/zinc/01/78/30/1311017830.db2.gz WXFUARLDALTPOE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CCN(CCCc3ccsc3)C[C@H]21 ZINC001221776883 1311029706 /nfs/dbraw/zinc/02/97/06/1311029706.db2.gz ICYQHSZQJNYVPN-QZTJIDSGSA-N 1 3 349.544 2.555 20 0 EFADHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793231 1311032593 /nfs/dbraw/zinc/03/25/93/1311032593.db2.gz WUKYHNPPKALKNK-FORFBYLSSA-N 1 3 335.536 2.852 20 0 EFADHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)[C@@H]2C1 ZINC001221793231 1311032595 /nfs/dbraw/zinc/03/25/95/1311032595.db2.gz WUKYHNPPKALKNK-FORFBYLSSA-N 1 3 335.536 2.852 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791650 1311032690 /nfs/dbraw/zinc/03/26/90/1311032690.db2.gz WNSMQKSEHHRLQS-BHIYHBOVSA-N 1 3 347.478 2.761 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848651 1311042837 /nfs/dbraw/zinc/04/28/37/1311042837.db2.gz ZFHLNJRSDDPHKK-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848651 1311042838 /nfs/dbraw/zinc/04/28/38/1311042838.db2.gz ZFHLNJRSDDPHKK-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)cc1 ZINC001221960912 1311060222 /nfs/dbraw/zinc/06/02/22/1311060222.db2.gz MRLCGINXWGOAED-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO C[NH+](C)CCN1CCC2(CN(Cc3cccc(OC(C)(C)C)c3)C2)C1 ZINC001276826815 1311070482 /nfs/dbraw/zinc/07/04/82/1311070482.db2.gz YELRHMWTDLUDAB-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001222046791 1311073458 /nfs/dbraw/zinc/07/34/58/1311073458.db2.gz WIUBYONRFDTBRG-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222049481 1311073868 /nfs/dbraw/zinc/07/38/68/1311073868.db2.gz CLNNNRKFNRMLJH-QFTWQFLFSA-N 1 3 347.547 2.996 20 0 EFADHO Cc1ccc(C(F)(F)F)cc1CN1CCNC2(CC[NH2+]CC2)C1 ZINC001222091073 1311083559 /nfs/dbraw/zinc/08/35/59/1311083559.db2.gz OJPULXHUAXOAKE-UHFFFAOYSA-N 1 3 327.394 2.541 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cccc3C)C[C@@H]1CNCCC2 ZINC001222125164 1311087877 /nfs/dbraw/zinc/08/78/77/1311087877.db2.gz GKOTZWRZMGPMJP-PXNSSMCTSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cccc3C)C[C@@H]1CNCCC2 ZINC001222125164 1311087880 /nfs/dbraw/zinc/08/78/80/1311087880.db2.gz GKOTZWRZMGPMJP-PXNSSMCTSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3c(C)cccc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222125164 1311087882 /nfs/dbraw/zinc/08/78/82/1311087882.db2.gz GKOTZWRZMGPMJP-PXNSSMCTSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](CC3CCC(F)(F)CC3)C[C@@H]1CNCCC2 ZINC001222125354 1311088156 /nfs/dbraw/zinc/08/81/56/1311088156.db2.gz JUUBMDBACDNYLI-RDJZCZTQSA-N 1 3 344.446 2.677 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](CC3CCC(F)(F)CC3)C[C@@H]1CNCCC2 ZINC001222125354 1311088158 /nfs/dbraw/zinc/08/81/58/1311088158.db2.gz JUUBMDBACDNYLI-RDJZCZTQSA-N 1 3 344.446 2.677 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](CCCCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222125141 1311088216 /nfs/dbraw/zinc/08/82/16/1311088216.db2.gz FSWOMHJUIQWKRN-FPOVZHCZSA-N 1 3 344.499 2.874 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](CCCCc3ccccc3)C[C@@H]1CNCCC2 ZINC001222125141 1311088217 /nfs/dbraw/zinc/08/82/17/1311088217.db2.gz FSWOMHJUIQWKRN-FPOVZHCZSA-N 1 3 344.499 2.874 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@H](C)c3ccccc3)C[C@@H]1CNCCC2 ZINC001222125476 1311088639 /nfs/dbraw/zinc/08/86/39/1311088639.db2.gz MZGHMNOUHCMGKE-QRFRQXIXSA-N 1 3 330.472 2.655 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@H](C)c3ccccc3)C[C@@H]1CNCCC2 ZINC001222125476 1311088640 /nfs/dbraw/zinc/08/86/40/1311088640.db2.gz MZGHMNOUHCMGKE-QRFRQXIXSA-N 1 3 330.472 2.655 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@H]3CCC(C)=C[C@@H]3C)C[C@@H]1CNCCC2 ZINC001222125764 1311088663 /nfs/dbraw/zinc/08/86/63/1311088663.db2.gz VFPVAFFNUDWCDH-DMUMMCEESA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@H]3CCC(C)=C[C@@H]3C)C[C@@H]1CNCCC2 ZINC001222125764 1311088664 /nfs/dbraw/zinc/08/86/64/1311088664.db2.gz VFPVAFFNUDWCDH-DMUMMCEESA-N 1 3 334.504 2.844 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527316 1311100389 /nfs/dbraw/zinc/10/03/89/1311100389.db2.gz DKACPACRLQIZBL-NQYYFHDYSA-N 1 3 344.503 2.701 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527316 1311100393 /nfs/dbraw/zinc/10/03/93/1311100393.db2.gz DKACPACRLQIZBL-NQYYFHDYSA-N 1 3 344.503 2.701 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC[C@]23CCC[NH2+]CC3)c1C ZINC001222314566 1311113952 /nfs/dbraw/zinc/11/39/52/1311113952.db2.gz HXWRSZHUJKBYPY-IBGZPJMESA-N 1 3 333.476 2.916 20 0 EFADHO COC(C)(C)CCC[C@@H](C)CCN1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492366 1311140911 /nfs/dbraw/zinc/14/09/11/1311140911.db2.gz UQLWFPYYWGZIBK-SQNIBIBYSA-N 1 3 325.541 2.634 20 0 EFADHO OCCCC[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574812 1311154732 /nfs/dbraw/zinc/15/47/32/1311154732.db2.gz KCNNAPGATCOKCF-LJQANCHMSA-N 1 3 332.488 2.562 20 0 EFADHO OCCCC[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001222574812 1311154733 /nfs/dbraw/zinc/15/47/33/1311154733.db2.gz KCNNAPGATCOKCF-LJQANCHMSA-N 1 3 332.488 2.562 20 0 EFADHO Cc1cc(Br)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1O ZINC001222629743 1311163507 /nfs/dbraw/zinc/16/35/07/1311163507.db2.gz NHMBQWFLWBHVDQ-BETUJISGSA-N 1 3 339.277 2.895 20 0 EFADHO COc1cc(Br)cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC001222630002 1311163608 /nfs/dbraw/zinc/16/36/08/1311163608.db2.gz VUFDWNSHSWRDHD-OKILXGFUSA-N 1 3 339.277 2.889 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656273 1311168084 /nfs/dbraw/zinc/16/80/84/1311168084.db2.gz DIUDAVMZXWVSOA-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001222656273 1311168087 /nfs/dbraw/zinc/16/80/87/1311168087.db2.gz DIUDAVMZXWVSOA-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CCn1ccc2c1cccc2CN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222674060 1311171038 /nfs/dbraw/zinc/17/10/38/1311171038.db2.gz HWKAUPFFRYIMLM-HXUWFJFHSA-N 1 3 326.488 2.579 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001222790155 1311184438 /nfs/dbraw/zinc/18/44/38/1311184438.db2.gz UUYDKAVVCNXFEF-SQNIBIBYSA-N 1 3 339.499 2.555 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001222790155 1311184441 /nfs/dbraw/zinc/18/44/41/1311184441.db2.gz UUYDKAVVCNXFEF-SQNIBIBYSA-N 1 3 339.499 2.555 20 0 EFADHO [S-]c1ccoc1C[NH+]1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276847478 1311195882 /nfs/dbraw/zinc/19/58/82/1311195882.db2.gz AKRDJKFYWYPADX-UHFFFAOYSA-N 1 3 346.500 2.753 20 0 EFADHO [S-]c1ccoc1C[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276847478 1311195884 /nfs/dbraw/zinc/19/58/84/1311195884.db2.gz AKRDJKFYWYPADX-UHFFFAOYSA-N 1 3 346.500 2.753 20 0 EFADHO CN1CCC[C@]2(CCC[N@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC001276875717 1311230942 /nfs/dbraw/zinc/23/09/42/1311230942.db2.gz GNVRRSOOSSXONT-IBGZPJMESA-N 1 3 325.460 2.575 20 0 EFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC001276875717 1311230943 /nfs/dbraw/zinc/23/09/43/1311230943.db2.gz GNVRRSOOSSXONT-IBGZPJMESA-N 1 3 325.460 2.575 20 0 EFADHO N#Cc1ccc([C@@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381183201 1311231309 /nfs/dbraw/zinc/23/13/09/1311231309.db2.gz KXUGBZBWPLDGNR-CTNGQTDRSA-N 1 3 335.451 2.703 20 0 EFADHO N#Cc1ccc([C@@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381183201 1311231312 /nfs/dbraw/zinc/23/13/12/1311231312.db2.gz KXUGBZBWPLDGNR-CTNGQTDRSA-N 1 3 335.451 2.703 20 0 EFADHO Cc1c[nH]c(=O)c(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)c1 ZINC001276871719 1311233023 /nfs/dbraw/zinc/23/30/23/1311233023.db2.gz DJHYPPRHZLWBFV-MOPGFXCFSA-N 1 3 341.459 2.544 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364442 1311236979 /nfs/dbraw/zinc/23/69/79/1311236979.db2.gz UFCDUAJBTHTXMP-LTZKLNQDSA-N 1 3 347.547 2.855 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364442 1311236982 /nfs/dbraw/zinc/23/69/82/1311236982.db2.gz UFCDUAJBTHTXMP-LTZKLNQDSA-N 1 3 347.547 2.855 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866883 1311239102 /nfs/dbraw/zinc/23/91/02/1311239102.db2.gz FHWCBAYYWOXZFK-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001047866762 1311239245 /nfs/dbraw/zinc/23/92/45/1311239245.db2.gz DXMKWCHBBPNTNT-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)cc1O ZINC001276879587 1311241060 /nfs/dbraw/zinc/24/10/60/1311241060.db2.gz GMJAWMGEKRKTQB-OAQYLSRUSA-N 1 3 345.531 2.940 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)cc1O ZINC001276879587 1311241064 /nfs/dbraw/zinc/24/10/64/1311241064.db2.gz GMJAWMGEKRKTQB-OAQYLSRUSA-N 1 3 345.531 2.940 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001047869198 1311241797 /nfs/dbraw/zinc/24/17/97/1311241797.db2.gz PVQMCQWSIZUEPE-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001047870000 1311242294 /nfs/dbraw/zinc/24/22/94/1311242294.db2.gz TWOYCELTEDHGMQ-RDJZCZTQSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871895 1311244168 /nfs/dbraw/zinc/24/41/68/1311244168.db2.gz ZXKUBYULUIXTJM-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C(C)(C)C[NH2+]CCCF)CC1)N(C)C ZINC001101549652 1311248865 /nfs/dbraw/zinc/24/88/65/1311248865.db2.gz SSGZDNVZDJFFQA-KRWDZBQOSA-N 1 3 343.531 2.787 20 0 EFADHO CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 ZINC001101551668 1311249262 /nfs/dbraw/zinc/24/92/62/1311249262.db2.gz VNBSGPNFABURFV-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223382117 1311253069 /nfs/dbraw/zinc/25/30/69/1311253069.db2.gz FQTRSRSYAJGTMF-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC001223387671 1311253667 /nfs/dbraw/zinc/25/36/67/1311253667.db2.gz LTCHOHYSYTVAMY-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CCCC2CCC2)CC1)C1CC1 ZINC001223471540 1311264309 /nfs/dbraw/zinc/26/43/09/1311264309.db2.gz AGQUIJIVPSLTES-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)[C@H](C3CC3)N(C)C)CC2)cs1 ZINC001223471585 1311265040 /nfs/dbraw/zinc/26/50/40/1311265040.db2.gz BAYLJRIQKBBBFX-SFHVURJKSA-N 1 3 349.544 2.725 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223471908 1311265143 /nfs/dbraw/zinc/26/51/43/1311265143.db2.gz HCYWTABUVRFBDH-LPHOPBHVSA-N 1 3 337.552 2.837 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1)C1CCC1 ZINC001223495687 1311268472 /nfs/dbraw/zinc/26/84/72/1311268472.db2.gz VVRZLQWQFQZQJX-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CCCCCC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223534085 1311272676 /nfs/dbraw/zinc/27/26/76/1311272676.db2.gz UNDJLLKQEMCMKJ-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102050034 1311274639 /nfs/dbraw/zinc/27/46/39/1311274639.db2.gz QRGVMDQKCOJRDJ-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)cc1 ZINC001102050034 1311274643 /nfs/dbraw/zinc/27/46/43/1311274643.db2.gz QRGVMDQKCOJRDJ-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C)N(C)C ZINC001102071077 1311277101 /nfs/dbraw/zinc/27/71/01/1311277101.db2.gz BYFDOYCYAXYFFN-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1C)N(C)C ZINC001102071077 1311277105 /nfs/dbraw/zinc/27/71/05/1311277105.db2.gz BYFDOYCYAXYFFN-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001223596964 1311280183 /nfs/dbraw/zinc/28/01/83/1311280183.db2.gz FNSQGGUCPCJTMQ-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001223597883 1311280317 /nfs/dbraw/zinc/28/03/17/1311280317.db2.gz QFEZXEHIADUNOB-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001223598102 1311280380 /nfs/dbraw/zinc/28/03/80/1311280380.db2.gz WFPWISOWWMJTBT-LJQANCHMSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001223597586 1311280481 /nfs/dbraw/zinc/28/04/81/1311280481.db2.gz NXWULONTKXDFPF-HXUWFJFHSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C/C=C/c2ccccc2)CC1)N(C)C ZINC001223604111 1311280652 /nfs/dbraw/zinc/28/06/52/1311280652.db2.gz BWTWWOXRGZQCFW-OJLWIZQOSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001223605281 1311280884 /nfs/dbraw/zinc/28/08/84/1311280884.db2.gz SZFQQVKRSHQKJC-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001223654614 1311287523 /nfs/dbraw/zinc/28/75/23/1311287523.db2.gz NIUFDGLPXNFJCG-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC001223654302 1311287639 /nfs/dbraw/zinc/28/76/39/1311287639.db2.gz KWUYDESNNCZIHG-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430124 1311309653 /nfs/dbraw/zinc/30/96/53/1311309653.db2.gz FSFNOBXMIVQWIV-JVSXQDPISA-N 1 3 341.927 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223838929 1311310024 /nfs/dbraw/zinc/31/00/24/1311310024.db2.gz NMXPSCUNWBYKNP-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223838929 1311310028 /nfs/dbraw/zinc/31/00/28/1311310028.db2.gz NMXPSCUNWBYKNP-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524996 1311316320 /nfs/dbraw/zinc/31/63/20/1311316320.db2.gz HGYAZQLHWOXVSP-KZNAEPCWSA-N 1 3 325.541 2.695 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001102524996 1311316323 /nfs/dbraw/zinc/31/63/23/1311316323.db2.gz HGYAZQLHWOXVSP-KZNAEPCWSA-N 1 3 325.541 2.695 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985432 1311351217 /nfs/dbraw/zinc/35/12/17/1311351217.db2.gz WYSXDVDLZAHNGG-SJORKVTESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985992 1311351751 /nfs/dbraw/zinc/35/17/51/1311351751.db2.gz AQHYYAWUQGZFPE-UKRRQHHQSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986904 1311352461 /nfs/dbraw/zinc/35/24/61/1311352461.db2.gz GJCANESYVPMLEB-YJBOKZPZSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986902 1311352527 /nfs/dbraw/zinc/35/25/27/1311352527.db2.gz GJCANESYVPMLEB-QAPCUYQASA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986898 1311352608 /nfs/dbraw/zinc/35/26/08/1311352608.db2.gz GJCANESYVPMLEB-CRAIPNDOSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005715 1311365219 /nfs/dbraw/zinc/36/52/19/1311365219.db2.gz DNZREYLQYLRVPW-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224254452 1311366995 /nfs/dbraw/zinc/36/69/95/1311366995.db2.gz TWJNITFHFNMIDP-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048009488 1311367709 /nfs/dbraw/zinc/36/77/09/1311367709.db2.gz VBTUUXAQZIPBTM-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048009489 1311367795 /nfs/dbraw/zinc/36/77/95/1311367795.db2.gz VBTUUXAQZIPBTM-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001224534967 1311404184 /nfs/dbraw/zinc/40/41/84/1311404184.db2.gz BHMYFTLZZLGXEE-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001224536641 1311404721 /nfs/dbraw/zinc/40/47/21/1311404721.db2.gz MCWOFJRNMAAADP-QGZVFWFLSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560365 1311407351 /nfs/dbraw/zinc/40/73/51/1311407351.db2.gz SIMUGCBWSUCUKF-ROUUACIJSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560083 1311407528 /nfs/dbraw/zinc/40/75/28/1311407528.db2.gz SIMUGCBWSUCUKF-MSOLQXFVSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[NH+]2CCC(CNC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001224576288 1311409566 /nfs/dbraw/zinc/40/95/66/1311409566.db2.gz KIQHUXFBEPKKFS-UHFFFAOYSA-N 1 3 337.552 2.839 20 0 EFADHO CCCCC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224576758 1311410165 /nfs/dbraw/zinc/41/01/65/1311410165.db2.gz PZHGHUZGTOEVLE-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001224576762 1311410264 /nfs/dbraw/zinc/41/02/64/1311410264.db2.gz QAZPWWQJSOEDBI-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001224583597 1311410674 /nfs/dbraw/zinc/41/06/74/1311410674.db2.gz VFPLYDIGSUHHIQ-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC001224592933 1311412088 /nfs/dbraw/zinc/41/20/88/1311412088.db2.gz WZJRAMVMIGLKQB-APWZRJJASA-N 1 3 331.504 2.916 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058667 1311417755 /nfs/dbraw/zinc/41/77/55/1311417755.db2.gz ICRRQPQYZFCZEC-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001048059039 1311418308 /nfs/dbraw/zinc/41/83/08/1311418308.db2.gz NLKOJFFWEAIGTO-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048059335 1311418599 /nfs/dbraw/zinc/41/85/99/1311418599.db2.gz RKSHMUAGQYIJET-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001048062144 1311420558 /nfs/dbraw/zinc/42/05/58/1311420558.db2.gz COQOHWFCIQVBDE-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048062439 1311420846 /nfs/dbraw/zinc/42/08/46/1311420846.db2.gz DUQMPEOJEYNMHV-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048068662 1311427722 /nfs/dbraw/zinc/42/77/22/1311427722.db2.gz XKDOEOCZBJVSQF-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048069084 1311428465 /nfs/dbraw/zinc/42/84/65/1311428465.db2.gz ZXTWCUXGWPCFSM-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO c1ccc(CN2CC=C(Nc3cccnc3N3CC[NH2+]CC3)CC2)cc1 ZINC001159186584 1311469869 /nfs/dbraw/zinc/46/98/69/1311469869.db2.gz IBPOCDHAKCOHJS-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001225228532 1311492722 /nfs/dbraw/zinc/49/27/22/1311492722.db2.gz OSRUILPLGUXTOJ-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014399883 1311497562 /nfs/dbraw/zinc/49/75/62/1311497562.db2.gz SDSHZNBECGDUNG-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014399883 1311497565 /nfs/dbraw/zinc/49/75/65/1311497565.db2.gz SDSHZNBECGDUNG-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014416244 1311505632 /nfs/dbraw/zinc/50/56/32/1311505632.db2.gz ZASUNGNCUOEZHW-ZWKOTPCHSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014416244 1311505634 /nfs/dbraw/zinc/50/56/34/1311505634.db2.gz ZASUNGNCUOEZHW-ZWKOTPCHSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014441547 1311517766 /nfs/dbraw/zinc/51/77/66/1311517766.db2.gz ZBUSMNZQJDPUTH-ZWKOTPCHSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014441547 1311517767 /nfs/dbraw/zinc/51/77/67/1311517767.db2.gz ZBUSMNZQJDPUTH-ZWKOTPCHSA-N 1 3 333.520 2.798 20 0 EFADHO [NH3+]C1CCN(CCc2cn(-c3ccc(F)nn3)c3ccccc23)CC1 ZINC001159460191 1311520167 /nfs/dbraw/zinc/52/01/67/1311520167.db2.gz DMFOEUIIBVXDSP-UHFFFAOYSA-N 1 3 339.418 2.525 20 0 EFADHO C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(CC(=[NH2+])NO)cc2)C1 ZINC001225547306 1311541062 /nfs/dbraw/zinc/54/10/62/1311541062.db2.gz VGDFFVZPPPWGEZ-WMLDXEAASA-N 1 3 340.427 2.794 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578586 1311547030 /nfs/dbraw/zinc/54/70/30/1311547030.db2.gz YGAVEKRQFTUOQM-ZWKOTPCHSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001225581951 1311547563 /nfs/dbraw/zinc/54/75/63/1311547563.db2.gz AIIXVMBBLKFHDE-CEXWTWQISA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1nccc(C2CC[NH2+]CC2)n1 ZINC001159595603 1311549094 /nfs/dbraw/zinc/54/90/94/1311549094.db2.gz OVLBNIOBDMLCOS-AWEZNQCLSA-N 1 3 348.454 2.816 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)c(C)c3)C2)CC[N@@H+]1C ZINC001014509175 1311550209 /nfs/dbraw/zinc/55/02/09/1311550209.db2.gz QCYDMFLVJNOQRT-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C)c(C)c3)C2)CC[N@H+]1C ZINC001014509175 1311550212 /nfs/dbraw/zinc/55/02/12/1311550212.db2.gz QCYDMFLVJNOQRT-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001225653547 1311560270 /nfs/dbraw/zinc/56/02/70/1311560270.db2.gz YPCYTSAHRYGGSA-SFHVURJKSA-N 1 3 341.515 2.829 20 0 EFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001159786870 1311584461 /nfs/dbraw/zinc/58/44/61/1311584461.db2.gz LZUFRBXQKMTMPU-LLVKDONJSA-N 1 3 347.822 2.521 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cccc(Cl)c2F)CCC1 ZINC001159853372 1311597228 /nfs/dbraw/zinc/59/72/28/1311597228.db2.gz CVACKDWCPDPMPK-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cccc(C(F)F)c2)CCC1 ZINC001159854618 1311597243 /nfs/dbraw/zinc/59/72/43/1311597243.db2.gz PAUPBPVVQRBJKQ-UHFFFAOYSA-N 1 3 339.430 2.704 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159854221 1311597408 /nfs/dbraw/zinc/59/74/08/1311597408.db2.gz MVMJQGSLIXWFMS-UHFFFAOYSA-N 1 3 331.504 2.508 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC001159853646 1311597528 /nfs/dbraw/zinc/59/75/28/1311597528.db2.gz GRWXFGOFPCAJOK-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1cccc(Cl)c1 ZINC001159854916 1311597597 /nfs/dbraw/zinc/59/75/97/1311597597.db2.gz WZHHDQPYKIQVNL-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1 ZINC001159997139 1311626739 /nfs/dbraw/zinc/62/67/39/1311626739.db2.gz HODNVRRSXQYNFS-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001160003611 1311627294 /nfs/dbraw/zinc/62/72/94/1311627294.db2.gz XAWGZORVWLGKFK-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C ZINC001048279021 1311632347 /nfs/dbraw/zinc/63/23/47/1311632347.db2.gz GKGBNMPECRBFOE-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001014627599 1311633104 /nfs/dbraw/zinc/63/31/04/1311633104.db2.gz HPZJCLWXTLYFSS-UXHICEINSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001014627599 1311633110 /nfs/dbraw/zinc/63/31/10/1311633110.db2.gz HPZJCLWXTLYFSS-UXHICEINSA-N 1 3 343.515 2.602 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630135 1311634248 /nfs/dbraw/zinc/63/42/48/1311634248.db2.gz MNWFMLHZESOBFG-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630135 1311634251 /nfs/dbraw/zinc/63/42/51/1311634251.db2.gz MNWFMLHZESOBFG-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048282312 1311634687 /nfs/dbraw/zinc/63/46/87/1311634687.db2.gz ZKKRVSNVTCKVIP-SJLPKXTDSA-N 1 3 333.520 2.655 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631882 1311635265 /nfs/dbraw/zinc/63/52/65/1311635265.db2.gz PBZDOFZUNZOAFO-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631882 1311635268 /nfs/dbraw/zinc/63/52/68/1311635268.db2.gz PBZDOFZUNZOAFO-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014635851 1311637607 /nfs/dbraw/zinc/63/76/07/1311637607.db2.gz XOGPOFSAYJLWKB-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014635851 1311637610 /nfs/dbraw/zinc/63/76/10/1311637610.db2.gz XOGPOFSAYJLWKB-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635851 1311637614 /nfs/dbraw/zinc/63/76/14/1311637614.db2.gz XOGPOFSAYJLWKB-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635851 1311637618 /nfs/dbraw/zinc/63/76/18/1311637618.db2.gz XOGPOFSAYJLWKB-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706885 1311676730 /nfs/dbraw/zinc/67/67/30/1311676730.db2.gz SUQPHZUBZUIEMP-RBUKOAKNSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706885 1311676734 /nfs/dbraw/zinc/67/67/34/1311676734.db2.gz SUQPHZUBZUIEMP-RBUKOAKNSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001014724889 1311690751 /nfs/dbraw/zinc/69/07/51/1311690751.db2.gz XTYJQGROPRHEBB-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001014724889 1311690756 /nfs/dbraw/zinc/69/07/56/1311690756.db2.gz XTYJQGROPRHEBB-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014724626 1311691046 /nfs/dbraw/zinc/69/10/46/1311691046.db2.gz VZONDRXTIANLBA-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014724626 1311691051 /nfs/dbraw/zinc/69/10/51/1311691051.db2.gz VZONDRXTIANLBA-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001014728441 1311694429 /nfs/dbraw/zinc/69/44/29/1311694429.db2.gz MMRTXQPNYFQKJR-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001014728441 1311694433 /nfs/dbraw/zinc/69/44/33/1311694433.db2.gz MMRTXQPNYFQKJR-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359786 1311696237 /nfs/dbraw/zinc/69/62/37/1311696237.db2.gz AQUREBMVBRODQV-AATRIKPKSA-N 1 3 333.520 2.965 20 0 EFADHO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001160359786 1311696240 /nfs/dbraw/zinc/69/62/40/1311696240.db2.gz AQUREBMVBRODQV-AATRIKPKSA-N 1 3 333.520 2.965 20 0 EFADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001160360176 1311696766 /nfs/dbraw/zinc/69/67/66/1311696766.db2.gz LDFJIKDMPMUQHR-UHFFFAOYSA-N 1 3 333.520 2.655 20 0 EFADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001160360176 1311696770 /nfs/dbraw/zinc/69/67/70/1311696770.db2.gz LDFJIKDMPMUQHR-UHFFFAOYSA-N 1 3 333.520 2.655 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001160360946 1311696806 /nfs/dbraw/zinc/69/68/06/1311696806.db2.gz ZYRKJYZTDNQLNS-IBGZPJMESA-N 1 3 347.547 2.901 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001160360946 1311696811 /nfs/dbraw/zinc/69/68/11/1311696811.db2.gz ZYRKJYZTDNQLNS-IBGZPJMESA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360617 1311697072 /nfs/dbraw/zinc/69/70/72/1311697072.db2.gz SKZCYLRTNPHLCT-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001160360617 1311697074 /nfs/dbraw/zinc/69/70/74/1311697074.db2.gz SKZCYLRTNPHLCT-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001160367964 1311698350 /nfs/dbraw/zinc/69/83/50/1311698350.db2.gz WLHHKADKJADTMG-KVWWFHCMSA-N 1 3 333.520 2.511 20 0 EFADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001160367964 1311698353 /nfs/dbraw/zinc/69/83/53/1311698353.db2.gz WLHHKADKJADTMG-KVWWFHCMSA-N 1 3 333.520 2.511 20 0 EFADHO CC/C=C/CC[N@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379869 1311700376 /nfs/dbraw/zinc/70/03/76/1311700376.db2.gz PPUKVRRMVAMQJX-SNAWJCMRSA-N 1 3 333.520 2.965 20 0 EFADHO CC/C=C/CC[N@@H+]1CC=C(CCNC(=O)CN(C)C2CCC2)CC1 ZINC001160379869 1311700379 /nfs/dbraw/zinc/70/03/79/1311700379.db2.gz PPUKVRRMVAMQJX-SNAWJCMRSA-N 1 3 333.520 2.965 20 0 EFADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001160386204 1311701422 /nfs/dbraw/zinc/70/14/22/1311701422.db2.gz MKENXCSVJWJWJY-UHFFFAOYSA-N 1 3 333.520 2.655 20 0 EFADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001160386204 1311701423 /nfs/dbraw/zinc/70/14/23/1311701423.db2.gz MKENXCSVJWJWJY-UHFFFAOYSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160421464 1311707005 /nfs/dbraw/zinc/70/70/05/1311707005.db2.gz RWABIRURRFKWNT-IBGZPJMESA-N 1 3 348.535 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001160427513 1311707302 /nfs/dbraw/zinc/70/73/02/1311707302.db2.gz SIVUYHPMUIOESG-OALUTQOASA-N 1 3 349.494 2.885 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160428300 1311707856 /nfs/dbraw/zinc/70/78/56/1311707856.db2.gz ZFDXDSVLYYAQEL-IBGZPJMESA-N 1 3 333.520 2.610 20 0 EFADHO Cc1ccc(CN2CCO[C@@H](CN[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000902403233 1311713881 /nfs/dbraw/zinc/71/38/81/1311713881.db2.gz FSSYWZRBUFJMDN-UXHICEINSA-N 1 3 345.531 2.564 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461307 1311714715 /nfs/dbraw/zinc/71/47/15/1311714715.db2.gz MTRXQDTXOIGMOA-QUCCMNQESA-N 1 3 347.478 2.563 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001160499100 1311722400 /nfs/dbraw/zinc/72/24/00/1311722400.db2.gz WMMPKEBXQVWEEF-LPHOPBHVSA-N 1 3 342.487 2.891 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001226782045 1311722961 /nfs/dbraw/zinc/72/29/61/1311722961.db2.gz IJSLOJIQSANZHN-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC=C(Cl)Cl)CCC1 ZINC001226790324 1311724103 /nfs/dbraw/zinc/72/41/03/1311724103.db2.gz AIKLOMJIRRBDMZ-CHWSQXEVSA-N 1 3 348.318 2.807 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001226799476 1311725169 /nfs/dbraw/zinc/72/51/69/1311725169.db2.gz AEVJIKPCYFTOMU-GUDVDZBRSA-N 1 3 347.547 2.924 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CCCCCF)CC1 ZINC001160519295 1311726362 /nfs/dbraw/zinc/72/63/62/1311726362.db2.gz ZOOUCZWYPBXSBQ-UHFFFAOYSA-N 1 3 341.515 2.995 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001160519295 1311726365 /nfs/dbraw/zinc/72/63/65/1311726365.db2.gz ZOOUCZWYPBXSBQ-UHFFFAOYSA-N 1 3 341.515 2.995 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)C1CCC1 ZINC001226824352 1311728935 /nfs/dbraw/zinc/72/89/35/1311728935.db2.gz LNWLBZFCCQYTBW-RTBURBONSA-N 1 3 329.488 2.688 20 0 EFADHO CSc1ccc(Br)cc1CCN[C@H](C)C1C[NH2+]C1 ZINC000902429700 1311736669 /nfs/dbraw/zinc/73/66/69/1311736669.db2.gz NBWJBVFOYUFTAL-SNVBAGLBSA-N 1 3 329.307 2.911 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048415394 1311753633 /nfs/dbraw/zinc/75/36/33/1311753633.db2.gz BCHGSIKLZGVHJB-AZUAARDMSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC001048416983 1311754559 /nfs/dbraw/zinc/75/45/59/1311754559.db2.gz HVPQGNMSSWIIAZ-ICSRJNTNSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)nc2c1CCNC2 ZINC001160664400 1311755003 /nfs/dbraw/zinc/75/50/03/1311755003.db2.gz FDCPZMHRCLLSIR-AWEZNQCLSA-N 1 3 344.890 2.982 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1)N(C)C ZINC001227038892 1311755341 /nfs/dbraw/zinc/75/53/41/1311755341.db2.gz PNLBJSXFJOELLA-GUDVDZBRSA-N 1 3 331.504 2.586 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001227056728 1311756338 /nfs/dbraw/zinc/75/63/38/1311756338.db2.gz JRYDOVUILFESNF-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001227057715 1311756924 /nfs/dbraw/zinc/75/69/24/1311756924.db2.gz ZSNDLRXQJCEKAJ-GUDVDZBRSA-N 1 3 347.503 2.552 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1C ZINC001227164390 1311770559 /nfs/dbraw/zinc/77/05/59/1311770559.db2.gz AZRXKGWKAHRJNH-QZTJIDSGSA-N 1 3 346.519 2.637 20 0 EFADHO CN(Cc1ccc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)nc1)C1CC1 ZINC001160741758 1311772310 /nfs/dbraw/zinc/77/23/10/1311772310.db2.gz GGVNUUIWSZMSCZ-UONOGXRCSA-N 1 3 328.382 2.628 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1nc2cc(C)ccc2s1)N(C)C ZINC001160889059 1311803518 /nfs/dbraw/zinc/80/35/18/1311803518.db2.gz AWPJDYSWFFWOII-OAHLLOKOSA-N 1 3 348.516 2.541 20 0 EFADHO C[C@@]12c3ccccc3[C@@H](Cc3ccccc31)N2C(=O)[C@@H](N)CCCC[NH3+] ZINC001160935185 1311813400 /nfs/dbraw/zinc/81/34/00/1311813400.db2.gz MDRAXJRWYIXWKR-VWPQPMDRSA-N 1 3 349.478 2.846 20 0 EFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160939552 1311815611 /nfs/dbraw/zinc/81/56/11/1311815611.db2.gz BQQKHXVCENDMSI-IRXDYDNUSA-N 1 3 349.425 2.503 20 0 EFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@H]1c1ccc(F)cc1F ZINC001160939552 1311815616 /nfs/dbraw/zinc/81/56/16/1311815616.db2.gz BQQKHXVCENDMSI-IRXDYDNUSA-N 1 3 349.425 2.503 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)C(C)(C)Cc1ccccc1 ZINC001160975478 1311826228 /nfs/dbraw/zinc/82/62/28/1311826228.db2.gz WOWJWNNOHOFCRB-SFHVURJKSA-N 1 3 333.520 2.962 20 0 EFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCCOC1CCSCC1 ZINC000902522808 1311832376 /nfs/dbraw/zinc/83/23/76/1311832376.db2.gz YKLWRIYNXGMXIV-MJGOQNOKSA-N 1 3 348.512 2.744 20 0 EFADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161045385 1311845941 /nfs/dbraw/zinc/84/59/41/1311845941.db2.gz CSFGGFAMWXDIJI-KUHUBIRLSA-N 1 3 325.456 2.686 20 0 EFADHO Cc1cc(C)nc(NCC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC001161055328 1311848090 /nfs/dbraw/zinc/84/80/90/1311848090.db2.gz RDGQMNMMOJGOMG-UHFFFAOYSA-N 1 3 330.476 2.587 20 0 EFADHO C[NH+](C)CCC(=O)NCCC1=CCN(C/C=C\c2ccccc2)CC1 ZINC001161088564 1311855865 /nfs/dbraw/zinc/85/58/65/1311855865.db2.gz CBWXCRPVSHNHMC-TWGQIWQCSA-N 1 3 341.499 2.790 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001227792538 1311856585 /nfs/dbraw/zinc/85/65/85/1311856585.db2.gz PKEYAYXHOXPJAY-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106539 1311858459 /nfs/dbraw/zinc/85/84/59/1311858459.db2.gz AHMDCOCBEZMIRW-INIZCTEOSA-N 1 3 347.478 2.977 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227818646 1311860697 /nfs/dbraw/zinc/86/06/97/1311860697.db2.gz YYRPQGYNLCIRGH-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC001227818312 1311860707 /nfs/dbraw/zinc/86/07/07/1311860707.db2.gz UQAZNNWFBVLSHF-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)C1CC1 ZINC001227817858 1311861016 /nfs/dbraw/zinc/86/10/16/1311861016.db2.gz NQKDJEYTSDCUOC-LJQANCHMSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)C1CCC1 ZINC001227832042 1311863132 /nfs/dbraw/zinc/86/31/32/1311863132.db2.gz APLPXWKDZXHFDB-FQEVSTJZSA-N 1 3 341.499 2.739 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001227833162 1311863696 /nfs/dbraw/zinc/86/36/96/1311863696.db2.gz UKYBCIAVFYXSSO-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900053 1311871269 /nfs/dbraw/zinc/87/12/69/1311871269.db2.gz NAAILCWOVSMLFH-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161388672 1311876014 /nfs/dbraw/zinc/87/60/14/1311876014.db2.gz JPYMAFABLFQUOC-PMACEKPBSA-N 1 3 345.531 2.963 20 0 EFADHO CCC[C@@H](Cc1ccccc1)N(CCC)C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161388674 1311876255 /nfs/dbraw/zinc/87/62/55/1311876255.db2.gz JPYMAFABLFQUOC-VQTJNVASSA-N 1 3 345.531 2.963 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2cc(C)sc2C)CC1)N(C)C ZINC001227961641 1311880528 /nfs/dbraw/zinc/88/05/28/1311880528.db2.gz XNYBZFMWQWYWLM-QGZVFWFLSA-N 1 3 337.533 2.786 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)c1cccc(Cl)c1Cl ZINC001161413610 1311882543 /nfs/dbraw/zinc/88/25/43/1311882543.db2.gz QUPMFSBXBNATHQ-QEGRKFQGSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001227979157 1311882867 /nfs/dbraw/zinc/88/28/67/1311882867.db2.gz AJSDUNFLRQJYKJ-GOSISDBHSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001015052822 1311883537 /nfs/dbraw/zinc/88/35/37/1311883537.db2.gz OARGIFXHBVDYIK-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001015052822 1311883539 /nfs/dbraw/zinc/88/35/39/1311883539.db2.gz OARGIFXHBVDYIK-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001227980296 1311883573 /nfs/dbraw/zinc/88/35/73/1311883573.db2.gz QETWQASRDLPXCY-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1CC[NH+]1CCC(NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001227980556 1311883620 /nfs/dbraw/zinc/88/36/20/1311883620.db2.gz SKHBAGKMHYSTGT-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015054145 1311884542 /nfs/dbraw/zinc/88/45/42/1311884542.db2.gz UVQMENXOSNSPHV-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015054145 1311884545 /nfs/dbraw/zinc/88/45/45/1311884545.db2.gz UVQMENXOSNSPHV-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001015056117 1311886022 /nfs/dbraw/zinc/88/60/22/1311886022.db2.gz HAKBQVGSHJQSMU-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001015056117 1311886026 /nfs/dbraw/zinc/88/60/26/1311886026.db2.gz HAKBQVGSHJQSMU-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(CNC(=O)OC(C)(C)C)cc1)CN(C)C ZINC000902571258 1311890569 /nfs/dbraw/zinc/89/05/69/1311890569.db2.gz GVDSLBYSIWRWLN-OAHLLOKOSA-N 1 3 335.492 2.999 20 0 EFADHO CN(C)CCN(C(=O)CCCCc1cccs1)[C@H]1CCC[NH2+]C1 ZINC001161442819 1311890758 /nfs/dbraw/zinc/89/07/58/1311890758.db2.gz HNTAPECADMLPDF-INIZCTEOSA-N 1 3 337.533 2.603 20 0 EFADHO CCC(CC)(C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161444831 1311890790 /nfs/dbraw/zinc/89/07/90/1311890790.db2.gz KRIDRVAENRMYCU-IBGZPJMESA-N 1 3 345.531 2.887 20 0 EFADHO CN(C)CCN(C(=O)/C=C/c1cc2ccccc2o1)[C@H]1CCC[NH2+]C1 ZINC001161446679 1311891693 /nfs/dbraw/zinc/89/16/93/1311891693.db2.gz TXMXRCFTGVLZBZ-FVNWOWOISA-N 1 3 341.455 2.588 20 0 EFADHO CC(C)[C@H](C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001161447858 1311891966 /nfs/dbraw/zinc/89/19/66/1311891966.db2.gz ZLAGUPNLETWWEB-OALUTQOASA-N 1 3 331.504 2.568 20 0 EFADHO Cc1cc(F)cc(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)c1Cl ZINC001161449146 1311892112 /nfs/dbraw/zinc/89/21/12/1311892112.db2.gz KBNGDBWLMYXYCX-AWEZNQCLSA-N 1 3 341.858 2.543 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2c(F)cccc12)[C@H]1CCC[NH2+]C1 ZINC001161450167 1311892674 /nfs/dbraw/zinc/89/26/74/1311892674.db2.gz CMWWYRINDYHHPY-HNNXBMFYSA-N 1 3 343.446 2.735 20 0 EFADHO CN(C)CCN(C(=O)c1c[nH]c2c1cccc2Cl)[C@H]1CCC[NH2+]C1 ZINC001161452480 1311893245 /nfs/dbraw/zinc/89/32/45/1311893245.db2.gz SCSXTDLAGNIRCY-ZDUSSCGKSA-N 1 3 348.878 2.577 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)N1CCC(c2csc3ccccc32)CC1 ZINC001161453053 1311893384 /nfs/dbraw/zinc/89/33/84/1311893384.db2.gz XQIHCPRTRCTATJ-MRXNPFEDSA-N 1 3 331.485 2.674 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC001228054959 1311895491 /nfs/dbraw/zinc/89/54/91/1311895491.db2.gz UTWGPTKKNFEARR-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC001228054959 1311895493 /nfs/dbraw/zinc/89/54/93/1311895493.db2.gz UTWGPTKKNFEARR-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001161488682 1311898907 /nfs/dbraw/zinc/89/89/07/1311898907.db2.gz NSXIXLLEKBFNCG-ZBFHGGJFSA-N 1 3 344.286 2.971 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091560 1311905934 /nfs/dbraw/zinc/90/59/34/1311905934.db2.gz WYQWYKWANBPEGO-QZTJIDSGSA-N 1 3 341.499 2.875 20 0 EFADHO CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001277276415 1311911455 /nfs/dbraw/zinc/91/14/55/1311911455.db2.gz ZLVQNHWELBKGRK-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001277276415 1311911459 /nfs/dbraw/zinc/91/14/59/1311911459.db2.gz ZLVQNHWELBKGRK-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)cc1 ZINC001161571965 1311918250 /nfs/dbraw/zinc/91/82/50/1311918250.db2.gz YBOSAUJHPAVGGB-AEFFLSMTSA-N 1 3 347.503 2.636 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)cc1 ZINC001161571966 1311918774 /nfs/dbraw/zinc/91/87/74/1311918774.db2.gz YBOSAUJHPAVGGB-WMZOPIPTSA-N 1 3 347.503 2.636 20 0 EFADHO O=C(N[C@@H]1CCN(C/C=C/c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015117242 1311922345 /nfs/dbraw/zinc/92/23/45/1311922345.db2.gz DXUCYHLJPZDPIN-ZLHKHBAESA-N 1 3 346.434 2.852 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)CN2CC[C@@H](C)C2)[NH+](C)C)cc1 ZINC001413057585 1311934056 /nfs/dbraw/zinc/93/40/56/1311934056.db2.gz LAWZJABTCBQMFI-YLJYHZDGSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)c1ccccc1F ZINC001228354693 1311935978 /nfs/dbraw/zinc/93/59/78/1311935978.db2.gz BDIMFWJTPOKWST-ZTFGCOKTSA-N 1 3 335.467 2.855 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC2=CCN(Cc3ccsc3)CC2)C1 ZINC001161704519 1311955384 /nfs/dbraw/zinc/95/53/84/1311955384.db2.gz BTDIHVMFWFSRRV-KRWDZBQOSA-N 1 3 347.528 2.728 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NCCC2=CCN(Cc3ccsc3)CC2)C1 ZINC001161704519 1311955388 /nfs/dbraw/zinc/95/53/88/1311955388.db2.gz BTDIHVMFWFSRRV-KRWDZBQOSA-N 1 3 347.528 2.728 20 0 EFADHO Cc1cc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cs1 ZINC001277310150 1311963221 /nfs/dbraw/zinc/96/32/21/1311963221.db2.gz HJTDGPTZLWNMAI-UHFFFAOYSA-N 1 3 330.501 2.851 20 0 EFADHO CCCCCC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784798 1311971628 /nfs/dbraw/zinc/97/16/28/1311971628.db2.gz KTHWPNYQMJCVML-UHFFFAOYSA-N 1 3 332.492 2.979 20 0 EFADHO CCCCCC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161784798 1311971630 /nfs/dbraw/zinc/97/16/30/1311971630.db2.gz KTHWPNYQMJCVML-UHFFFAOYSA-N 1 3 332.492 2.979 20 0 EFADHO CN(C)CC[N@@H+]1CCC[C@]2(CCCN(Cc3ccc4n3CCC4)C2)C1 ZINC001277330430 1312001039 /nfs/dbraw/zinc/00/10/39/1312001039.db2.gz JWELZJDEUMNHSE-NRFANRHFSA-N 1 3 344.547 2.674 20 0 EFADHO CN(C)CC[N@H+]1CCC[C@]2(CCCN(Cc3ccc4n3CCC4)C2)C1 ZINC001277330430 1312001040 /nfs/dbraw/zinc/00/10/40/1312001040.db2.gz JWELZJDEUMNHSE-NRFANRHFSA-N 1 3 344.547 2.674 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC001228864093 1312011683 /nfs/dbraw/zinc/01/16/83/1312011683.db2.gz AUGRQRLTUYBCEQ-RMKNXTFCSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001161952058 1312011903 /nfs/dbraw/zinc/01/19/03/1312011903.db2.gz BSJQAYUWDBSIMB-UHFFFAOYSA-N 1 3 349.544 2.769 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001161952058 1312011905 /nfs/dbraw/zinc/01/19/05/1312011905.db2.gz BSJQAYUWDBSIMB-UHFFFAOYSA-N 1 3 349.544 2.769 20 0 EFADHO CCc1ccc(CN2CCC(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001228904573 1312018019 /nfs/dbraw/zinc/01/80/19/1312018019.db2.gz NOBDTMRATDYGDT-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001228932754 1312022427 /nfs/dbraw/zinc/02/24/27/1312022427.db2.gz USRIQMDCXIJXCM-ZACQAIPSSA-N 1 3 327.488 2.626 20 0 EFADHO Cc1nc(N(C)C)cc(N2CCC([NH3+])(Cc3ccccc3F)CC2)n1 ZINC001161987371 1312022411 /nfs/dbraw/zinc/02/24/11/1312022411.db2.gz MANGGUWVHLQHGS-UHFFFAOYSA-N 1 3 343.450 2.531 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@@H]2CCc3c2cccc3Cl)CC1 ZINC001228999786 1312033937 /nfs/dbraw/zinc/03/39/37/1312033937.db2.gz VUTQSRAHRWPALP-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO CCCOc1cccc(CN2CCC(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001229000034 1312034756 /nfs/dbraw/zinc/03/47/56/1312034756.db2.gz XHEDDGCBWHRNEW-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COC ZINC001229173413 1312057025 /nfs/dbraw/zinc/05/70/25/1312057025.db2.gz DAICFUDUNRHWDP-KZNAEPCWSA-N 1 3 341.540 2.550 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001229222630 1312063855 /nfs/dbraw/zinc/06/38/55/1312063855.db2.gz DGGCHBSYCYGHCZ-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001229230416 1312064700 /nfs/dbraw/zinc/06/47/00/1312064700.db2.gz HBTUFDWNBULISS-CHWSQXEVSA-N 1 3 336.307 2.664 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001229231248 1312065006 /nfs/dbraw/zinc/06/50/06/1312065006.db2.gz OXCWSFTVODGGJE-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001229231254 1312065097 /nfs/dbraw/zinc/06/50/97/1312065097.db2.gz PFKWYHATIQYUDM-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001229253673 1312068255 /nfs/dbraw/zinc/06/82/55/1312068255.db2.gz JNHKVSHVCBRUCM-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000902757118 1312081946 /nfs/dbraw/zinc/08/19/46/1312081946.db2.gz OKTXCBUMEQKWJH-NHCUHLMSSA-N 1 3 345.531 2.871 20 0 EFADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388295 1312089727 /nfs/dbraw/zinc/08/97/27/1312089727.db2.gz OYGFGVBTHAAPBE-OALUTQOASA-N 1 3 331.504 2.552 20 0 EFADHO Cc1cc(C)nc(CN2C[C@@H]3CC[N@@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001277415348 1312130684 /nfs/dbraw/zinc/13/06/84/1312130684.db2.gz JJFWEXUSUHEVKY-HDICACEKSA-N 1 3 339.487 2.766 20 0 EFADHO Cc1cc(C)nc(CN2C[C@@H]3CC[N@H+](Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001277415348 1312130688 /nfs/dbraw/zinc/13/06/88/1312130688.db2.gz JJFWEXUSUHEVKY-HDICACEKSA-N 1 3 339.487 2.766 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC001229859672 1312150605 /nfs/dbraw/zinc/15/06/05/1312150605.db2.gz AWQALIGSCJTMKP-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001015497979 1312153228 /nfs/dbraw/zinc/15/32/28/1312153228.db2.gz HYGAOIURVJEROH-IBGZPJMESA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001015497979 1312153231 /nfs/dbraw/zinc/15/32/31/1312153231.db2.gz HYGAOIURVJEROH-IBGZPJMESA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015501414 1312155080 /nfs/dbraw/zinc/15/50/80/1312155080.db2.gz ZZVFUEJQLVDBSA-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO CC(C)=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001162746469 1312165905 /nfs/dbraw/zinc/16/59/05/1312165905.db2.gz DMBOAOTZMNVUHW-FQEVSTJZSA-N 1 3 343.515 2.708 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccc(OCCC[NH+](C)C)nc1 ZINC001162777568 1312173737 /nfs/dbraw/zinc/17/37/37/1312173737.db2.gz UODWAASHDMDATE-CQSZACIVSA-N 1 3 339.443 2.771 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001162777464 1312173872 /nfs/dbraw/zinc/17/38/72/1312173872.db2.gz CIBGBAVEXCVYIZ-GOEBONIOSA-N 1 3 335.455 2.578 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1ccccc1Cn1cc[nH+]c1N ZINC001162778977 1312174387 /nfs/dbraw/zinc/17/43/87/1312174387.db2.gz SXFCUFAJPIHEEI-ZDUSSCGKSA-N 1 3 332.411 2.872 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001230101338 1312186583 /nfs/dbraw/zinc/18/65/83/1312186583.db2.gz IVNFGFVNXIMOOL-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001230101626 1312186802 /nfs/dbraw/zinc/18/68/02/1312186802.db2.gz VRAIIBGONTVSPH-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001230101626 1312186806 /nfs/dbraw/zinc/18/68/06/1312186806.db2.gz VRAIIBGONTVSPH-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832609 1312186982 /nfs/dbraw/zinc/18/69/82/1312186982.db2.gz WOXHSZDOMCZOFB-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832412 1312187013 /nfs/dbraw/zinc/18/70/13/1312187013.db2.gz RWFPWGQBMQYHKV-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596962 1312203933 /nfs/dbraw/zinc/20/39/33/1312203933.db2.gz KUWVPXUARRSEGS-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596962 1312203936 /nfs/dbraw/zinc/20/39/36/1312203936.db2.gz KUWVPXUARRSEGS-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCC(CC)C[NH2+]CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001206679600 1312205194 /nfs/dbraw/zinc/20/51/94/1312205194.db2.gz KAZJPRDUIZRQMC-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597591 1312205498 /nfs/dbraw/zinc/20/54/98/1312205498.db2.gz VQAYVVZHPDBNHZ-SJORKVTESA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597591 1312205500 /nfs/dbraw/zinc/20/55/00/1312205500.db2.gz VQAYVVZHPDBNHZ-SJORKVTESA-N 1 3 349.544 2.603 20 0 EFADHO CCN(CC)CC(=O)N(CC[NH2+]CC1CCC1)CCc1ccccc1 ZINC001162960539 1312212181 /nfs/dbraw/zinc/21/21/81/1312212181.db2.gz XYMCSTGYOUATMY-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(CC)CC ZINC001162960158 1312212360 /nfs/dbraw/zinc/21/23/60/1312212360.db2.gz MRSQYWPGPMZHFF-UHFFFAOYSA-N 1 3 333.520 2.789 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284790 1312215143 /nfs/dbraw/zinc/21/51/43/1312215143.db2.gz VGIXXEUDYBUOFC-RTBURBONSA-N 1 3 331.504 2.852 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875518 1312215522 /nfs/dbraw/zinc/21/55/22/1312215522.db2.gz AJFTYXCRSPCFGK-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875518 1312215524 /nfs/dbraw/zinc/21/55/24/1312215524.db2.gz AJFTYXCRSPCFGK-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001230284856 1312215576 /nfs/dbraw/zinc/21/55/76/1312215576.db2.gz XDZDNWUWKJWFMB-RTBURBONSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)s1 ZINC001015616591 1312218460 /nfs/dbraw/zinc/21/84/60/1312218460.db2.gz URSFKKMPUUGLHB-OWQGQXMQSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)s1 ZINC001015616591 1312218463 /nfs/dbraw/zinc/21/84/63/1312218463.db2.gz URSFKKMPUUGLHB-OWQGQXMQSA-N 1 3 349.544 2.786 20 0 EFADHO COc1ccc2nc(CN3CCC4(CCC[N@H+](C)C4)CC3)[nH]c2c1 ZINC001277453040 1312221510 /nfs/dbraw/zinc/22/15/10/1312221510.db2.gz ZXJMDEPCJYUSNJ-UHFFFAOYSA-N 1 3 328.460 2.879 20 0 EFADHO COc1ccc2nc(CN3CCC4(CCC[N@@H+](C)C4)CC3)[nH]c2c1 ZINC001277453040 1312221513 /nfs/dbraw/zinc/22/15/13/1312221513.db2.gz ZXJMDEPCJYUSNJ-UHFFFAOYSA-N 1 3 328.460 2.879 20 0 EFADHO CC(C)N(C)CC(=O)N(CC[NH2+]CC1CCC1)CCc1ccccc1 ZINC001163007049 1312225330 /nfs/dbraw/zinc/22/53/30/1312225330.db2.gz NRJWPQNMIAOIOP-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001048887584 1312225516 /nfs/dbraw/zinc/22/55/16/1312225516.db2.gz CJEXMBHKKMVJTJ-RSPOEFSDSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001048887584 1312225520 /nfs/dbraw/zinc/22/55/20/1312225520.db2.gz CJEXMBHKKMVJTJ-RSPOEFSDSA-N 1 3 343.515 2.786 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001230366673 1312230017 /nfs/dbraw/zinc/23/00/17/1312230017.db2.gz BYQVNMMVXTYITA-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001048891621 1312230356 /nfs/dbraw/zinc/23/03/56/1312230356.db2.gz SINMHROQCUTKOT-PNYFIKQUSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001048891621 1312230360 /nfs/dbraw/zinc/23/03/60/1312230360.db2.gz SINMHROQCUTKOT-PNYFIKQUSA-N 1 3 343.515 2.786 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1C ZINC001230367027 1312230492 /nfs/dbraw/zinc/23/04/92/1312230492.db2.gz OKDDGAFPZASUHS-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001230367213 1312230665 /nfs/dbraw/zinc/23/06/65/1312230665.db2.gz TXPOAESOEUKIBB-UHFFFAOYSA-N 1 3 342.487 2.589 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC001230373853 1312231542 /nfs/dbraw/zinc/23/15/42/1312231542.db2.gz CISYETSQMLAZLL-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230374448 1312231911 /nfs/dbraw/zinc/23/19/11/1312231911.db2.gz XRDMDPINMHRBHF-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1nc(Cl)c(NC(=N)NCC[NH+](CC)CC)c(Cl)n1 ZINC001163128205 1312245957 /nfs/dbraw/zinc/24/59/57/1312245957.db2.gz DZUVSHKYUBXIHF-UHFFFAOYSA-N 1 3 333.267 2.624 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1ncnc2c1ccn2C1CCCC1 ZINC001163126020 1312246062 /nfs/dbraw/zinc/24/60/62/1312246062.db2.gz NGKHHOGWXXGWDN-UHFFFAOYSA-N 1 3 343.479 2.824 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(SC)nc2ccsc21 ZINC001163126569 1312246187 /nfs/dbraw/zinc/24/61/87/1312246187.db2.gz SQUONRRLIJFAPA-UHFFFAOYSA-N 1 3 338.506 2.691 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(-c2nc(C(C)C)no2)ccn1 ZINC001163129492 1312246709 /nfs/dbraw/zinc/24/67/09/1312246709.db2.gz LGNLIEMMKSNMAI-UHFFFAOYSA-N 1 3 345.451 2.533 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C2CCC2)nc2[nH]ccc21 ZINC001163129499 1312246898 /nfs/dbraw/zinc/24/68/98/1312246898.db2.gz LJQNOTDVSKKJOO-UHFFFAOYSA-N 1 3 329.452 2.503 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nccc2cc(OC)c(F)cc21 ZINC001163129143 1312247216 /nfs/dbraw/zinc/24/72/16/1312247216.db2.gz HOVQBABYTCUGEV-UHFFFAOYSA-N 1 3 333.411 2.661 20 0 EFADHO c1ccc([C@@H]2[NH2+]CC[C@H]2Nc2cncc([C@@H]3CN4CCC3CC4)n2)cc1 ZINC001163211706 1312265091 /nfs/dbraw/zinc/26/50/91/1312265091.db2.gz MREOUSDALONSNP-OPYAIIAOSA-N 1 3 349.482 2.801 20 0 EFADHO Cc1nc(N[C@@H]2CNCc3ccsc32)cc([C@H]2CCC[NH2+]C2)n1 ZINC001163220883 1312267115 /nfs/dbraw/zinc/26/71/15/1312267115.db2.gz IXVWUONTZWQTSL-SWLSCSKDSA-N 1 3 329.473 2.570 20 0 EFADHO [NH3+]Cc1ccc(-c2cn(-c3cc(Cl)nc4c3CCNC4)cn2)cc1 ZINC001163221564 1312267848 /nfs/dbraw/zinc/26/78/48/1312267848.db2.gz GCLGUPDYSXRTPX-UHFFFAOYSA-N 1 3 339.830 2.692 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163316811 1312288260 /nfs/dbraw/zinc/28/82/60/1312288260.db2.gz QVCFNTSYNBDVBH-JTDSTZFVSA-N 1 3 330.476 2.783 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628912 1312289959 /nfs/dbraw/zinc/28/99/59/1312289959.db2.gz LFIUZQANTUCUSP-MSOLQXFVSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230628912 1312289962 /nfs/dbraw/zinc/28/99/62/1312289962.db2.gz LFIUZQANTUCUSP-MSOLQXFVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230631374 1312290275 /nfs/dbraw/zinc/29/02/75/1312290275.db2.gz ZFUJKIOGJJASDF-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230631374 1312290279 /nfs/dbraw/zinc/29/02/79/1312290279.db2.gz ZFUJKIOGJJASDF-OOYWPUHTSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cccnc1 ZINC001230716713 1312318254 /nfs/dbraw/zinc/31/82/54/1312318254.db2.gz LDWQZCKSMSKQCL-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1cccnc1 ZINC001230716713 1312318258 /nfs/dbraw/zinc/31/82/58/1312318258.db2.gz LDWQZCKSMSKQCL-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO COCCC[NH+]1CCC(N[C@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903087224 1312341605 /nfs/dbraw/zinc/34/16/05/1312341605.db2.gz CBXWZADTCYILHX-MRXNPFEDSA-N 1 3 348.487 2.901 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](CCC1CC1)Cc1cccnc1)N(C)C ZINC001230784237 1312342530 /nfs/dbraw/zinc/34/25/30/1312342530.db2.gz ZDXGAQHEZIKEFY-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](CCC1CC1)Cc1cccnc1)N(C)C ZINC001230784237 1312342533 /nfs/dbraw/zinc/34/25/33/1312342533.db2.gz ZDXGAQHEZIKEFY-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@H+](Cc1cccnc1)C(C)C ZINC001230790552 1312345710 /nfs/dbraw/zinc/34/57/10/1312345710.db2.gz ZQJLGONLRUIASD-UHFFFAOYSA-N 1 3 334.508 2.529 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@@H+](Cc1cccnc1)C(C)C ZINC001230790552 1312345712 /nfs/dbraw/zinc/34/57/12/1312345712.db2.gz ZQJLGONLRUIASD-UHFFFAOYSA-N 1 3 334.508 2.529 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107267 1312361256 /nfs/dbraw/zinc/36/12/56/1312361256.db2.gz PLBVFSMOAJWQMU-SOUVJXGZSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903107267 1312361259 /nfs/dbraw/zinc/36/12/59/1312361259.db2.gz PLBVFSMOAJWQMU-SOUVJXGZSA-N 1 3 325.497 2.895 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccccc1C ZINC001277469169 1312379141 /nfs/dbraw/zinc/37/91/41/1312379141.db2.gz FFOXTKBULNAOFH-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CCN(CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1cccnc1 ZINC001230899086 1312384771 /nfs/dbraw/zinc/38/47/71/1312384771.db2.gz SAWMPKPUVIGZGW-RBUKOAKNSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@H+](CCCNC(=O)[C@@H]1CCCCN1CC)Cc1cccnc1 ZINC001230932516 1312396099 /nfs/dbraw/zinc/39/60/99/1312396099.db2.gz XNAIQDKAGHVGCY-IBGZPJMESA-N 1 3 346.519 2.674 20 0 EFADHO CCC[N@@H+](CCCNC(=O)[C@@H]1CCCCN1CC)Cc1cccnc1 ZINC001230932516 1312396103 /nfs/dbraw/zinc/39/61/03/1312396103.db2.gz XNAIQDKAGHVGCY-IBGZPJMESA-N 1 3 346.519 2.674 20 0 EFADHO CCN(CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)Cc1cccnc1 ZINC001230932264 1312396140 /nfs/dbraw/zinc/39/61/40/1312396140.db2.gz QSYHLUBBOGNRJM-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001049058012 1312413331 /nfs/dbraw/zinc/41/33/31/1312413331.db2.gz VBSABSZPCCBMGT-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001049058012 1312413333 /nfs/dbraw/zinc/41/33/33/1312413333.db2.gz VBSABSZPCCBMGT-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059713 1312413738 /nfs/dbraw/zinc/41/37/38/1312413738.db2.gz DSCZTAXIDRRQHO-CALCHBBNSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059713 1312413742 /nfs/dbraw/zinc/41/37/42/1312413742.db2.gz DSCZTAXIDRRQHO-CALCHBBNSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066009 1312419088 /nfs/dbraw/zinc/41/90/88/1312419088.db2.gz CLYTXRHSWXFSRT-WCIQWLHISA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066009 1312419091 /nfs/dbraw/zinc/41/90/91/1312419091.db2.gz CLYTXRHSWXFSRT-WCIQWLHISA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097187 1312453303 /nfs/dbraw/zinc/45/33/03/1312453303.db2.gz HKJPGGNDGGLLRS-AKHDSKFASA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@H]2C1 ZINC001049097187 1312453306 /nfs/dbraw/zinc/45/33/06/1312453306.db2.gz HKJPGGNDGGLLRS-AKHDSKFASA-N 1 3 335.536 2.686 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCOC34CCCC4)CC2)ccn1 ZINC000903198146 1312453575 /nfs/dbraw/zinc/45/35/75/1312453575.db2.gz ATGBINKXQDJVHR-IBGZPJMESA-N 1 3 329.488 2.985 20 0 EFADHO COc1ccc2cc(NCC3(N(C)C)CC[NH+](C)CC3)ccc2n1 ZINC001164212110 1312468933 /nfs/dbraw/zinc/46/89/33/1312468933.db2.gz YQNCKLPMDHKHPK-UHFFFAOYSA-N 1 3 328.460 2.681 20 0 EFADHO COC(=O)CCCc1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164217022 1312470711 /nfs/dbraw/zinc/47/07/11/1312470711.db2.gz PWIUQQVPEBHFFX-UHFFFAOYSA-N 1 3 347.503 2.620 20 0 EFADHO CC[C@@H](F)CN1C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@@H]2C1 ZINC001049114544 1312473131 /nfs/dbraw/zinc/47/31/31/1312473131.db2.gz JBHDJOLDJCVXHB-CEXWTWQISA-N 1 3 347.478 2.500 20 0 EFADHO CC(C)(C)OC(=O)NOCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903239108 1312490505 /nfs/dbraw/zinc/49/05/05/1312490505.db2.gz IHIAUCSOADDPDG-VHRNVKJDSA-N 1 3 339.480 2.580 20 0 EFADHO CC(C)(C)OC(=O)NOCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903239108 1312490508 /nfs/dbraw/zinc/49/05/08/1312490508.db2.gz IHIAUCSOADDPDG-VHRNVKJDSA-N 1 3 339.480 2.580 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001049131249 1312494413 /nfs/dbraw/zinc/49/44/13/1312494413.db2.gz HNNTUBBHHDWNNE-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]3C2)CC1 ZINC001049131249 1312494416 /nfs/dbraw/zinc/49/44/16/1312494416.db2.gz HNNTUBBHHDWNNE-HDICACEKSA-N 1 3 335.536 2.545 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997508 1312500640 /nfs/dbraw/zinc/50/06/40/1312500640.db2.gz DALVJEHRSNZVBB-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997508 1312500645 /nfs/dbraw/zinc/50/06/45/1312500645.db2.gz DALVJEHRSNZVBB-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004018 1312506027 /nfs/dbraw/zinc/50/60/27/1312506027.db2.gz TWQYDOOAWOZKIS-SFHVURJKSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1c(C)c(C)c(C[N@@H+]2CCC(=O)N(CCN(C)C)CC2)c(C)c1C ZINC001231494639 1312511175 /nfs/dbraw/zinc/51/11/75/1312511175.db2.gz PTPIZOXDJGLDNM-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO Cc1c(C)c(C)c(C[N@H+]2CCC(=O)N(CCN(C)C)CC2)c(C)c1C ZINC001231494639 1312511179 /nfs/dbraw/zinc/51/11/79/1312511179.db2.gz PTPIZOXDJGLDNM-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ncn1 ZINC001164486519 1312523663 /nfs/dbraw/zinc/52/36/63/1312523663.db2.gz PBWWZBIOVGLHMA-BHIYHBOVSA-N 1 3 337.471 2.519 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ncn1 ZINC001164486519 1312523666 /nfs/dbraw/zinc/52/36/66/1312523666.db2.gz PBWWZBIOVGLHMA-BHIYHBOVSA-N 1 3 337.471 2.519 20 0 EFADHO c1ccc(C[C@@H]2CN(c3ncccc3CN3CCCC3)CC[NH2+]2)cc1 ZINC001164624033 1312552883 /nfs/dbraw/zinc/55/28/83/1312552883.db2.gz BFODFYVEQPACOV-HXUWFJFHSA-N 1 3 336.483 2.698 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165080860 1312563968 /nfs/dbraw/zinc/56/39/68/1312563968.db2.gz CMYQEANQQGMYJG-VQTJNVASSA-N 1 3 336.483 2.854 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165080860 1312563971 /nfs/dbraw/zinc/56/39/71/1312563971.db2.gz CMYQEANQQGMYJG-VQTJNVASSA-N 1 3 336.483 2.854 20 0 EFADHO c1ccc([C@]23C[NH2+]C[C@H]2CN(c2ccc(CN4CCCC4)cn2)C3)cc1 ZINC001165168574 1312580770 /nfs/dbraw/zinc/58/07/70/1312580770.db2.gz LMDAPRCSRCAYLX-RBBKRZOGSA-N 1 3 348.494 2.655 20 0 EFADHO COC(C)(C)C[NH+]1CCC2(CCCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277584983 1312584971 /nfs/dbraw/zinc/58/49/71/1312584971.db2.gz YANJZJPRDFKRMI-UHFFFAOYSA-N 1 3 347.503 2.890 20 0 EFADHO c1cn(Cc2ccccc2)c2cc[nH+]c(N3CC[C@@H]4NCCO[C@H]4C3)c12 ZINC001165270448 1312599783 /nfs/dbraw/zinc/59/97/83/1312599783.db2.gz FTPDMHBHDLJKML-ICSRJNTNSA-N 1 3 348.450 2.652 20 0 EFADHO O=C1NCC[C@]12C[N@H+](Cc1cc3cnccc3[nH]1)C[C@H]2c1ccccc1 ZINC001232014739 1312605560 /nfs/dbraw/zinc/60/55/60/1312605560.db2.gz OFGPZAKRKFKAAP-GHTZIAJQSA-N 1 3 346.434 2.669 20 0 EFADHO O=C1NCC[C@]12C[N@@H+](Cc1cc3cnccc3[nH]1)C[C@H]2c1ccccc1 ZINC001232014739 1312605563 /nfs/dbraw/zinc/60/55/63/1312605563.db2.gz OFGPZAKRKFKAAP-GHTZIAJQSA-N 1 3 346.434 2.669 20 0 EFADHO C[N@H+](C1CCOCC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232016551 1312605747 /nfs/dbraw/zinc/60/57/47/1312605747.db2.gz YWNPVHWIYJWCNB-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO C[N@@H+](C1CCOCC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232016551 1312605749 /nfs/dbraw/zinc/60/57/49/1312605749.db2.gz YWNPVHWIYJWCNB-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO C[N@H+](C1CCOCC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232016551 1312605753 /nfs/dbraw/zinc/60/57/53/1312605753.db2.gz YWNPVHWIYJWCNB-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO C[N@@H+](C1CCOCC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232016551 1312605756 /nfs/dbraw/zinc/60/57/56/1312605756.db2.gz YWNPVHWIYJWCNB-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO Clc1cc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c2c(n1)CNCC2 ZINC001165322436 1312608807 /nfs/dbraw/zinc/60/88/07/1312608807.db2.gz JJERARMJKBKUTB-MRXNPFEDSA-N 1 3 334.895 2.739 20 0 EFADHO c1c(CN2CCC(COCC[NH+]3CCCC3)CC2)[nH]c2cccnc12 ZINC001232064855 1312615864 /nfs/dbraw/zinc/61/58/64/1312615864.db2.gz XCFXZTLABLOMOH-UHFFFAOYSA-N 1 3 342.487 2.887 20 0 EFADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149925 1312634372 /nfs/dbraw/zinc/63/43/72/1312634372.db2.gz QDDQENWWDKUCJJ-BQFCYCMXSA-N 1 3 334.435 2.661 20 0 EFADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC001232146832 1312634413 /nfs/dbraw/zinc/63/44/13/1312634413.db2.gz IENPPVVPWKABKG-SFHVURJKSA-N 1 3 347.478 2.722 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)C1CC1 ZINC001165485216 1312636865 /nfs/dbraw/zinc/63/68/65/1312636865.db2.gz PDNPYWRNOXJHHV-SFHVURJKSA-N 1 3 335.536 2.783 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001165610292 1312652774 /nfs/dbraw/zinc/65/27/74/1312652774.db2.gz YEAOMIXXSJVPBJ-SFHVURJKSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233874 1314461285 /nfs/dbraw/zinc/46/12/85/1314461285.db2.gz QSYJOYOYELRXRY-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211251104 1314464144 /nfs/dbraw/zinc/46/41/44/1314464144.db2.gz ZQMHYWGZVJMAAJ-FUHWJXTLSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001211269315 1314467035 /nfs/dbraw/zinc/46/70/35/1314467035.db2.gz PQFXBVOQQOYMKT-QGZVFWFLSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001211276298 1314467510 /nfs/dbraw/zinc/46/75/10/1314467510.db2.gz FBJJLWKDPIJATD-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275796 1314467547 /nfs/dbraw/zinc/46/75/47/1314467547.db2.gz CAJXDRDSAYGMJX-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211276902 1314468432 /nfs/dbraw/zinc/46/84/32/1314468432.db2.gz KBJUZRKGNHLELC-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211282477 1314469031 /nfs/dbraw/zinc/46/90/31/1314469031.db2.gz ATSKJIGLUFADPA-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001211286085 1314469766 /nfs/dbraw/zinc/46/97/66/1314469766.db2.gz SSNGUYRUHGIEHE-QGZVFWFLSA-N 1 3 335.467 2.555 20 0 EFADHO C[NH+](C)CCCOc1ccc(-c2cc(N3CCOCC3)ccn2)cc1 ZINC001245336258 1314473900 /nfs/dbraw/zinc/47/39/00/1314473900.db2.gz UFOYDOBQAGCFEF-UHFFFAOYSA-N 1 3 341.455 2.916 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cs1 ZINC001211349151 1314481491 /nfs/dbraw/zinc/48/14/91/1314481491.db2.gz DJBSESJWMHVYFM-CRAIPNDOSA-N 1 3 349.544 2.869 20 0 EFADHO c1cc(C2=CC[C@H](N3CCOCC3)CC2)ccc1O[C@H]1CC[NH2+]C1 ZINC001245426845 1314488983 /nfs/dbraw/zinc/48/89/83/1314488983.db2.gz KFIRZTWMOYPKGF-ICSRJNTNSA-N 1 3 328.456 2.695 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932077 1314490354 /nfs/dbraw/zinc/49/03/54/1314490354.db2.gz GZDPVAHUSQWOGX-IRXDYDNUSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932077 1314490357 /nfs/dbraw/zinc/49/03/57/1314490357.db2.gz GZDPVAHUSQWOGX-IRXDYDNUSA-N 1 3 349.906 2.762 20 0 EFADHO Nc1[nH+]ccn1Cc1ccccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245430136 1314490531 /nfs/dbraw/zinc/49/05/31/1314490531.db2.gz VDQNAWNJSQFJIX-SFHVURJKSA-N 1 3 338.455 2.782 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933149 1314492550 /nfs/dbraw/zinc/49/25/50/1314492550.db2.gz WJPNIWDHDHGMBI-WMZOPIPTSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933149 1314492553 /nfs/dbraw/zinc/49/25/53/1314492553.db2.gz WJPNIWDHDHGMBI-WMZOPIPTSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052953867 1314513397 /nfs/dbraw/zinc/51/33/97/1314513397.db2.gz IXYRZXAZKRNFPJ-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001052953867 1314513401 /nfs/dbraw/zinc/51/34/01/1314513401.db2.gz IXYRZXAZKRNFPJ-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001019820217 1314514972 /nfs/dbraw/zinc/51/49/72/1314514972.db2.gz AVBQGLOICGPDQP-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052956045 1314515572 /nfs/dbraw/zinc/51/55/72/1314515572.db2.gz NZFALOSNCSASLF-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052956045 1314515576 /nfs/dbraw/zinc/51/55/76/1314515576.db2.gz NZFALOSNCSASLF-QGZVFWFLSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052983730 1314541664 /nfs/dbraw/zinc/54/16/64/1314541664.db2.gz DGTVJRGZPXRFKV-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCCCC2)CC1 ZINC001052985346 1314542406 /nfs/dbraw/zinc/54/24/06/1314542406.db2.gz ISLOHLOVLVKYJD-BGYRXZFFSA-N 1 3 333.520 2.726 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCCCC2)CC1 ZINC001052985346 1314542412 /nfs/dbraw/zinc/54/24/12/1314542412.db2.gz ISLOHLOVLVKYJD-BGYRXZFFSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@@H](C)CC)CC1 ZINC001052985621 1314542842 /nfs/dbraw/zinc/54/28/42/1314542842.db2.gz VAAIKRQNUISUKZ-YTQUADARSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@@H](C)CC)CC1 ZINC001052985621 1314542845 /nfs/dbraw/zinc/54/28/45/1314542845.db2.gz VAAIKRQNUISUKZ-YTQUADARSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052987007 1314543604 /nfs/dbraw/zinc/54/36/04/1314543604.db2.gz YWZGUEKOHBLPLQ-KDURUIRLSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052987007 1314543611 /nfs/dbraw/zinc/54/36/11/1314543611.db2.gz YWZGUEKOHBLPLQ-KDURUIRLSA-N 1 3 333.520 2.582 20 0 EFADHO O=C(/C=C/C1CC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052987097 1314543694 /nfs/dbraw/zinc/54/36/94/1314543694.db2.gz DOSQDKWKCBPLFB-WNOZNDQISA-N 1 3 343.515 2.502 20 0 EFADHO CC[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC(C)C)CC1 ZINC001052989415 1314545517 /nfs/dbraw/zinc/54/55/17/1314545517.db2.gz DQEHMQKASAKWEI-FGTMMUONSA-N 1 3 339.499 2.530 20 0 EFADHO CC[C@@H](F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(C)C)CC1 ZINC001052989415 1314545522 /nfs/dbraw/zinc/54/55/22/1314545522.db2.gz DQEHMQKASAKWEI-FGTMMUONSA-N 1 3 339.499 2.530 20 0 EFADHO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CCC3CC3)CC2)CC1 ZINC001052989709 1314546146 /nfs/dbraw/zinc/54/61/46/1314546146.db2.gz SKAOWBHKWRHLOD-KDURUIRLSA-N 1 3 345.531 2.726 20 0 EFADHO CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CCC3CC3)CC2)CC1 ZINC001052989709 1314546152 /nfs/dbraw/zinc/54/61/52/1314546152.db2.gz SKAOWBHKWRHLOD-KDURUIRLSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CC[C@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001245970256 1314557275 /nfs/dbraw/zinc/55/72/75/1314557275.db2.gz BPMRTZZCXGMBEC-JFIYKMOQSA-N 1 3 334.504 2.702 20 0 EFADHO NC1(C[NH2+]C[C@H](O)COCc2c(Cl)cccc2Cl)CCCC1 ZINC001245975785 1314557772 /nfs/dbraw/zinc/55/77/72/1314557772.db2.gz QUYXRTZBEYTDHY-LBPRGKRZSA-N 1 3 347.286 2.732 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980556 1314558383 /nfs/dbraw/zinc/55/83/83/1314558383.db2.gz BUTIQWDEHJLFHT-GFEQUFNTSA-N 1 3 326.525 2.558 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980567 1314559370 /nfs/dbraw/zinc/55/93/70/1314559370.db2.gz BUTIQWDEHJLFHT-ZSXDVEMLSA-N 1 3 326.525 2.558 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245985482 1314559886 /nfs/dbraw/zinc/55/98/86/1314559886.db2.gz UDRWKYPSQRIIMW-LZLYRXPVSA-N 1 3 334.504 2.702 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCCOc1ccc(Cl)cc1 ZINC001245989729 1314560912 /nfs/dbraw/zinc/56/09/12/1314560912.db2.gz XDPUSJWDPNJHGW-RBUKOAKNSA-N 1 3 348.874 2.629 20 0 EFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001245993110 1314561614 /nfs/dbraw/zinc/56/16/14/1314561614.db2.gz MXOZEKZBIZOQNE-XYJFISCASA-N 1 3 334.504 2.559 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc2ccccc2c1 ZINC001246001739 1314562968 /nfs/dbraw/zinc/56/29/68/1314562968.db2.gz MURRYYLZVLLUHG-FCHUYYIVSA-N 1 3 334.463 2.903 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246001466 1314563101 /nfs/dbraw/zinc/56/31/01/1314563101.db2.gz LUQUUNJXTQLCCB-YZGWKJHDSA-N 1 3 342.483 2.591 20 0 EFADHO O[C@@]1(C[NH2+]C2(Cc3ccc(C(F)(F)F)cc3)CCC2)CCCNC1 ZINC001246009227 1314564670 /nfs/dbraw/zinc/56/46/70/1314564670.db2.gz WUHFHZAIJYMOBM-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@@]1(CNC2(Cc3ccc(C(F)(F)F)cc3)CCC2)CCC[NH2+]C1 ZINC001246009227 1314564673 /nfs/dbraw/zinc/56/46/73/1314564673.db2.gz WUHFHZAIJYMOBM-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO [NH3+][C@@H]1CCCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001246014443 1314565420 /nfs/dbraw/zinc/56/54/20/1314565420.db2.gz BQMYUBWIWQSVDP-CHWSQXEVSA-N 1 3 347.286 2.684 20 0 EFADHO [NH3+]C[C@H]1CCCCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC001246034141 1314570538 /nfs/dbraw/zinc/57/05/38/1314570538.db2.gz MUVBLHCTQVFXNJ-AEFFLSMTSA-N 1 3 328.456 2.640 20 0 EFADHO N[C@@]12CCC[C@@H]1C[N@H+](C[C@H](O)C(c1ccccc1)c1ccccc1)C2 ZINC001246035305 1314570763 /nfs/dbraw/zinc/57/07/63/1314570763.db2.gz SNWOHKKIJATYHC-RZUBCFFCSA-N 1 3 336.479 2.993 20 0 EFADHO N[C@@]12CCC[C@@H]1C[N@@H+](C[C@H](O)C(c1ccccc1)c1ccccc1)C2 ZINC001246035305 1314570767 /nfs/dbraw/zinc/57/07/67/1314570767.db2.gz SNWOHKKIJATYHC-RZUBCFFCSA-N 1 3 336.479 2.993 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246033937 1314570848 /nfs/dbraw/zinc/57/08/48/1314570848.db2.gz LZZNLDNHBORNCJ-FUHWJXTLSA-N 1 3 334.504 2.785 20 0 EFADHO C[C@@H]1CC[C@H](C[NH3+])CN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246034408 1314570970 /nfs/dbraw/zinc/57/09/70/1314570970.db2.gz NLGVWGUWKHIJNC-NUJGCVRESA-N 1 3 334.504 2.783 20 0 EFADHO C[N@H+](CCc1cccc(Cl)c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046060 1314573760 /nfs/dbraw/zinc/57/37/60/1314573760.db2.gz PFOXMJAIJOGKGL-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO C[N@@H+](CCc1cccc(Cl)c1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046060 1314573764 /nfs/dbraw/zinc/57/37/64/1314573764.db2.gz PFOXMJAIJOGKGL-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO CC(C)[N@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@]1(O)CCCNC1 ZINC001246053301 1314575670 /nfs/dbraw/zinc/57/56/70/1314575670.db2.gz QFQPFCQKNHNEES-LEWJYISDSA-N 1 3 342.483 2.698 20 0 EFADHO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C[C@@]1(O)CCCNC1 ZINC001246053301 1314575673 /nfs/dbraw/zinc/57/56/73/1314575673.db2.gz QFQPFCQKNHNEES-LEWJYISDSA-N 1 3 342.483 2.698 20 0 EFADHO CN(C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 ZINC001246066269 1314578680 /nfs/dbraw/zinc/57/86/80/1314578680.db2.gz SUDWKKRFAJKKMF-SLFFLAALSA-N 1 3 346.421 2.815 20 0 EFADHO C[N@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 ZINC001246066269 1314578684 /nfs/dbraw/zinc/57/86/84/1314578684.db2.gz SUDWKKRFAJKKMF-SLFFLAALSA-N 1 3 346.421 2.815 20 0 EFADHO C[N@@H+](C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)[C@H]1CCc2ccccc21 ZINC001246066269 1314578689 /nfs/dbraw/zinc/57/86/89/1314578689.db2.gz SUDWKKRFAJKKMF-SLFFLAALSA-N 1 3 346.421 2.815 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001246070410 1314579871 /nfs/dbraw/zinc/57/98/71/1314579871.db2.gz QRMGSRFPZHFKCO-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001246070410 1314579875 /nfs/dbraw/zinc/57/98/75/1314579875.db2.gz QRMGSRFPZHFKCO-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001246070410 1314579877 /nfs/dbraw/zinc/57/98/77/1314579877.db2.gz QRMGSRFPZHFKCO-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO O[C@]1(C[NH2+]C2CCC3(CCc4ccccc43)CC2)CCCCNC1 ZINC001246101212 1314582573 /nfs/dbraw/zinc/58/25/73/1314582573.db2.gz YWEKWNYVAZPMBQ-DQVLVPHSSA-N 1 3 328.500 2.907 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246095615 1314582714 /nfs/dbraw/zinc/58/27/14/1314582714.db2.gz JDQAMBBMQBCFPR-CJNGLKHVSA-N 1 3 330.394 2.731 20 0 EFADHO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246100171 1314582892 /nfs/dbraw/zinc/58/28/92/1314582892.db2.gz VXPGIDMZTMPLOS-BBRMVZONSA-N 1 3 346.393 2.610 20 0 EFADHO C[C@@H]1CC[C@H](CN[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)[NH2+]C1 ZINC001246108771 1314583508 /nfs/dbraw/zinc/58/35/08/1314583508.db2.gz WHLXPYLGNOKYAD-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO c1ccc(COc2ccc3c(c2)C[C@@H](N[C@H]2[C@H]4C[NH2+]C[C@H]42)CC3)cc1 ZINC001246143543 1314589299 /nfs/dbraw/zinc/58/92/99/1314589299.db2.gz FONPRQGQCTWZTQ-UVUJQTEASA-N 1 3 334.463 2.930 20 0 EFADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246145973 1314589467 /nfs/dbraw/zinc/58/94/67/1314589467.db2.gz GJGVVAHPONBJJQ-LJIGWXMPSA-N 1 3 338.517 2.894 20 0 EFADHO COc1ccc2cc(CC[C@@H](C)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2c1 ZINC001246148660 1314589950 /nfs/dbraw/zinc/58/99/50/1314589950.db2.gz OXOPAQFAAMGEKR-MSPZUWAUSA-N 1 3 340.467 2.746 20 0 EFADHO COc1ccc(Br)cc1CCN[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246158134 1314590750 /nfs/dbraw/zinc/59/07/50/1314590750.db2.gz GQQZJDJKMSUQMV-FZMZJTMJSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CC[NH2+][C@H]1CCN[C@@H](C)C1 ZINC001246158134 1314590752 /nfs/dbraw/zinc/59/07/52/1314590752.db2.gz GQQZJDJKMSUQMV-FZMZJTMJSA-N 1 3 327.266 2.730 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]C[C@@H]3COc4ccccc4O3)CCN2)cc1 ZINC001246171497 1314592557 /nfs/dbraw/zinc/59/25/57/1314592557.db2.gz QSOMXUDKQLXPJW-IPMKNSEASA-N 1 3 338.451 2.779 20 0 EFADHO CC(C)(C)[C@@H]1C[C@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171922 1314593048 /nfs/dbraw/zinc/59/30/48/1314593048.db2.gz ULQPGRRRQZNHPF-MSOLQXFVSA-N 1 3 337.552 2.778 20 0 EFADHO Fc1ccc(OC(F)(F)F)cc1CN[C@H]1CSC2(C[NH2+]C2)C1 ZINC001246221240 1314599453 /nfs/dbraw/zinc/59/94/53/1314599453.db2.gz JRIGVVQDONWHKK-SNVBAGLBSA-N 1 3 336.354 2.661 20 0 EFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(O)CCCNC1 ZINC001246231166 1314600447 /nfs/dbraw/zinc/60/04/47/1314600447.db2.gz OOYJQQSKLQDTPI-ZBEGNZNMSA-N 1 3 332.822 2.643 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001053029920 1314602598 /nfs/dbraw/zinc/60/25/98/1314602598.db2.gz YHNXWJUUFLKWCC-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001053029920 1314602603 /nfs/dbraw/zinc/60/26/03/1314602603.db2.gz YHNXWJUUFLKWCC-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001053029919 1314603824 /nfs/dbraw/zinc/60/38/24/1314603824.db2.gz YHNXWJUUFLKWCC-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001053029919 1314603829 /nfs/dbraw/zinc/60/38/29/1314603829.db2.gz YHNXWJUUFLKWCC-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCCNC1 ZINC001246285197 1314605828 /nfs/dbraw/zinc/60/58/28/1314605828.db2.gz GPPLULCEMXXAOJ-SBHAEUEKSA-N 1 3 343.515 2.544 20 0 EFADHO CCOC(=O)CC1(N[C@H](C)CCc2ccc(C)cc2)CC[NH2+]CC1 ZINC001246326883 1314610590 /nfs/dbraw/zinc/61/05/90/1314610590.db2.gz QXKRLSUXLUWZTI-QGZVFWFLSA-N 1 3 332.488 2.981 20 0 EFADHO Fc1ccc(C2([NH2+][C@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)cc1 ZINC001246334811 1314612187 /nfs/dbraw/zinc/61/21/87/1314612187.db2.gz FCHYNTSXQWFLRQ-LSDHHAIUSA-N 1 3 345.384 2.677 20 0 EFADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC001246354961 1314614431 /nfs/dbraw/zinc/61/44/31/1314614431.db2.gz JTKJWSVIWFCHTP-OAHLLOKOSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)cc1Cl ZINC001246352213 1314614475 /nfs/dbraw/zinc/61/44/75/1314614475.db2.gz AZIJYQPZDMMWMK-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1c(Cl)cccc1CN1CCC(N[C@H]2CCC[NH2+]C2)CC1 ZINC001246356630 1314614728 /nfs/dbraw/zinc/61/47/28/1314614728.db2.gz VAXVVVMTZVTOLD-HNNXBMFYSA-N 1 3 325.859 2.785 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246357580 1314614983 /nfs/dbraw/zinc/61/49/83/1314614983.db2.gz BFTNKPBXEQZIOF-DOMZBBRYSA-N 1 3 341.421 2.798 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@H](C)NC2)CC1 ZINC001246359074 1314615253 /nfs/dbraw/zinc/61/52/53/1314615253.db2.gz KYERCPIJHIQDPN-KBXCAEBGSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC(N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246359074 1314615257 /nfs/dbraw/zinc/61/52/57/1314615257.db2.gz KYERCPIJHIQDPN-KBXCAEBGSA-N 1 3 335.467 2.529 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246391428 1314621648 /nfs/dbraw/zinc/62/16/48/1314621648.db2.gz ANEYIWKGUGRBQW-MGHWNKPDSA-N 1 3 333.451 2.597 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042667 1314623267 /nfs/dbraw/zinc/62/32/67/1314623267.db2.gz QOSOUWFPVAFFEO-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042667 1314623272 /nfs/dbraw/zinc/62/32/72/1314623272.db2.gz QOSOUWFPVAFFEO-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3F)CC2)CCN1 ZINC001246397627 1314623973 /nfs/dbraw/zinc/62/39/73/1314623973.db2.gz SNUGHHKGZOIFLF-KLHDSHLOSA-N 1 3 333.451 2.597 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042671 1314624063 /nfs/dbraw/zinc/62/40/63/1314624063.db2.gz QOSOUWFPVAFFEO-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001053042671 1314624066 /nfs/dbraw/zinc/62/40/66/1314624066.db2.gz QOSOUWFPVAFFEO-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO COc1ccc(CC2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)cc1 ZINC001246404556 1314624446 /nfs/dbraw/zinc/62/44/46/1314624446.db2.gz IBMJALBARPUIEE-SJLPKXTDSA-N 1 3 332.488 2.765 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001020144134 1314630902 /nfs/dbraw/zinc/63/09/02/1314630902.db2.gz REUQREANTBBXGE-UFYCRDLUSA-N 1 3 343.515 2.647 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001020144105 1314631254 /nfs/dbraw/zinc/63/12/54/1314631254.db2.gz QFRWQCIWWPEJKB-KLHDSHLOSA-N 1 3 343.462 2.531 20 0 EFADHO CC(C)(C)OC(=O)CCc1ccc(CC[NH2+]C2CCNCC2)cc1 ZINC001246480540 1314634081 /nfs/dbraw/zinc/63/40/81/1314634081.db2.gz XOTDBCLORKJOOX-UHFFFAOYSA-N 1 3 332.488 2.845 20 0 EFADHO CCCCOC(=O)CC[C@H](C)[NH+]1CCC(C2=CC=C(N)CN2)CC1 ZINC001246495549 1314638149 /nfs/dbraw/zinc/63/81/49/1314638149.db2.gz QCLZEANCJDZEFN-HNNXBMFYSA-N 1 3 335.492 2.540 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)N1CCCCC1 ZINC001020152774 1314638415 /nfs/dbraw/zinc/63/84/15/1314638415.db2.gz ZSKLVLDXAPQCAH-WGSAOQKQSA-N 1 3 343.515 2.730 20 0 EFADHO COc1cccc([C@H](C[NH3+])N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC001246513438 1314640216 /nfs/dbraw/zinc/64/02/16/1314640216.db2.gz WUSOQUIIVHWWSS-PBEJRMEISA-N 1 3 339.483 2.948 20 0 EFADHO C[C@H](Cc1ccccc1Br)N1CCC[C@@](O)(C[NH3+])CC1 ZINC001246543692 1314644554 /nfs/dbraw/zinc/64/45/54/1314644554.db2.gz NKKSIXRKBCEZIR-CJNGLKHVSA-N 1 3 341.293 2.556 20 0 EFADHO COc1cccc(C(=O)N2CCC(N3CCC[C@](C)([NH3+])CC3)CC2)c1 ZINC001246551672 1314646516 /nfs/dbraw/zinc/64/65/16/1314646516.db2.gz MFJWATUVNOLUEO-FQEVSTJZSA-N 1 3 345.487 2.503 20 0 EFADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581457 1314651064 /nfs/dbraw/zinc/65/10/64/1314651064.db2.gz KSRZWZVBOTUFGO-RTBURBONSA-N 1 3 329.488 2.629 20 0 EFADHO NC[C@H]1CCCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581457 1314651069 /nfs/dbraw/zinc/65/10/69/1314651069.db2.gz KSRZWZVBOTUFGO-RTBURBONSA-N 1 3 329.488 2.629 20 0 EFADHO NC[C@H]1CCCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581454 1314651639 /nfs/dbraw/zinc/65/16/39/1314651639.db2.gz KSRZWZVBOTUFGO-MOPGFXCFSA-N 1 3 329.488 2.629 20 0 EFADHO NC[C@H]1CCCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581454 1314651642 /nfs/dbraw/zinc/65/16/42/1314651642.db2.gz KSRZWZVBOTUFGO-MOPGFXCFSA-N 1 3 329.488 2.629 20 0 EFADHO N[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@H]1F ZINC001246583624 1314652496 /nfs/dbraw/zinc/65/24/96/1314652496.db2.gz HXYXHSQTEYDYQO-USYVTKNRSA-N 1 3 331.479 2.943 20 0 EFADHO N[C@@H]1CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@H]1F ZINC001246583624 1314652497 /nfs/dbraw/zinc/65/24/97/1314652497.db2.gz HXYXHSQTEYDYQO-USYVTKNRSA-N 1 3 331.479 2.943 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@H](CC)Cc3ccccc3)C[C@@H]1CNCCC2 ZINC001246601028 1314655150 /nfs/dbraw/zinc/65/51/50/1314655150.db2.gz FVXOXNPFERHEDQ-ZVDOUQERSA-N 1 3 344.499 2.872 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@H](CC)Cc3ccccc3)C[C@@H]1CNCCC2 ZINC001246601028 1314655155 /nfs/dbraw/zinc/65/51/55/1314655155.db2.gz FVXOXNPFERHEDQ-ZVDOUQERSA-N 1 3 344.499 2.872 20 0 EFADHO COC(=O)c1ccc(C[C@@H](C)N2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC001246607439 1314656477 /nfs/dbraw/zinc/65/64/77/1314656477.db2.gz DSXDNNUPXRKJEI-UZLBHIALSA-N 1 3 330.472 2.870 20 0 EFADHO Brc1cccc2c1C[C@@H](N1CC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246618613 1314657945 /nfs/dbraw/zinc/65/79/45/1314657945.db2.gz IAJZWGFSVACGLB-GRDNDAEWSA-N 1 3 335.289 2.990 20 0 EFADHO Brc1cccc2c1C[C@@H]([N@@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618613 1314657949 /nfs/dbraw/zinc/65/79/49/1314657949.db2.gz IAJZWGFSVACGLB-GRDNDAEWSA-N 1 3 335.289 2.990 20 0 EFADHO Brc1cccc2c1C[C@@H]([N@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618613 1314657952 /nfs/dbraw/zinc/65/79/52/1314657952.db2.gz IAJZWGFSVACGLB-GRDNDAEWSA-N 1 3 335.289 2.990 20 0 EFADHO CCC[C@H](CCc1ccccc1)N1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246651538 1314663824 /nfs/dbraw/zinc/66/38/24/1314663824.db2.gz MFSRLFKLVARAPY-TZIWHRDSSA-N 1 3 343.515 2.732 20 0 EFADHO COc1cccc2c1CC[C@@H](N1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)C2 ZINC001246652874 1314664163 /nfs/dbraw/zinc/66/41/63/1314664163.db2.gz ACYDEIYQQRSJPM-VBQJREDUSA-N 1 3 340.389 2.636 20 0 EFADHO CCC[C@@H](CCc1ccccc1)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246651530 1314664489 /nfs/dbraw/zinc/66/44/89/1314664489.db2.gz MFSRLFKLVARAPY-FPOVZHCZSA-N 1 3 343.515 2.732 20 0 EFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC1CC[NH2+]CC1 ZINC001276709966 1314668649 /nfs/dbraw/zinc/66/86/49/1314668649.db2.gz QUXWGDTXPBWVLD-YSIASYRMSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1ccc(SC[C@@H](C)[N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001246682748 1314669911 /nfs/dbraw/zinc/66/99/11/1314669911.db2.gz DFYLMDCAVNGSPU-YWTNHNAXSA-N 1 3 332.513 2.928 20 0 EFADHO Cc1ccc(SC[C@@H](C)[N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)cc1 ZINC001246682748 1314669913 /nfs/dbraw/zinc/66/99/13/1314669913.db2.gz DFYLMDCAVNGSPU-YWTNHNAXSA-N 1 3 332.513 2.928 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CCN1 ZINC001246684310 1314671297 /nfs/dbraw/zinc/67/12/97/1314671297.db2.gz DHXNLXRYSIBITF-WBVHZDCISA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC[NH2+]1 ZINC001246684310 1314671300 /nfs/dbraw/zinc/67/13/00/1314671300.db2.gz DHXNLXRYSIBITF-WBVHZDCISA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699720 1314672617 /nfs/dbraw/zinc/67/26/17/1314672617.db2.gz YLIWJBKGALWARS-LMCOJAPRSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699720 1314672623 /nfs/dbraw/zinc/67/26/23/1314672623.db2.gz YLIWJBKGALWARS-LMCOJAPRSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720284 1314675746 /nfs/dbraw/zinc/67/57/46/1314675746.db2.gz NFAZVGITGJSHEM-NVXWUHKLSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720284 1314675750 /nfs/dbraw/zinc/67/57/50/1314675750.db2.gz NFAZVGITGJSHEM-NVXWUHKLSA-N 1 3 347.528 2.817 20 0 EFADHO CCCC[C@H]1C[C@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757765 1314677486 /nfs/dbraw/zinc/67/74/86/1314677486.db2.gz MTJOEMPTCNKCST-CUSZFKRNSA-N 1 3 347.528 2.954 20 0 EFADHO CCCC[C@H]1C[C@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757765 1314677489 /nfs/dbraw/zinc/67/74/89/1314677489.db2.gz MTJOEMPTCNKCST-CUSZFKRNSA-N 1 3 347.528 2.954 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246768947 1314678535 /nfs/dbraw/zinc/67/85/35/1314678535.db2.gz VUBBXMGJDKZQKY-LPMFXHHGSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768947 1314678539 /nfs/dbraw/zinc/67/85/39/1314678539.db2.gz VUBBXMGJDKZQKY-LPMFXHHGSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768947 1314678544 /nfs/dbraw/zinc/67/85/44/1314678544.db2.gz VUBBXMGJDKZQKY-LPMFXHHGSA-N 1 3 349.425 2.534 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4C[C@@H](C)[NH2+][C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776040 1314679698 /nfs/dbraw/zinc/67/96/98/1314679698.db2.gz GRYDHBIRDQXXLE-SHJAMOMRSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4C[C@@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776040 1314679701 /nfs/dbraw/zinc/67/97/01/1314679701.db2.gz GRYDHBIRDQXXLE-SHJAMOMRSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4C[C@@H](C)N[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246776040 1314679706 /nfs/dbraw/zinc/67/97/06/1314679706.db2.gz GRYDHBIRDQXXLE-SHJAMOMRSA-N 1 3 341.499 2.953 20 0 EFADHO CC[C@@H]1C[C@@H](N2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CC[NH2+]1 ZINC001246782634 1314681309 /nfs/dbraw/zinc/68/13/09/1314681309.db2.gz VAGSYLVAHODBBK-LMNJBCLMSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782634 1314681312 /nfs/dbraw/zinc/68/13/12/1314681312.db2.gz VAGSYLVAHODBBK-LMNJBCLMSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782634 1314681314 /nfs/dbraw/zinc/68/13/14/1314681314.db2.gz VAGSYLVAHODBBK-LMNJBCLMSA-N 1 3 341.499 2.954 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246805501 1314686395 /nfs/dbraw/zinc/68/63/95/1314686395.db2.gz NTLGSOLCBDIFRN-LDBYXDLTSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805501 1314686400 /nfs/dbraw/zinc/68/64/00/1314686400.db2.gz NTLGSOLCBDIFRN-LDBYXDLTSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805501 1314686403 /nfs/dbraw/zinc/68/64/03/1314686403.db2.gz NTLGSOLCBDIFRN-LDBYXDLTSA-N 1 3 339.483 2.527 20 0 EFADHO COC(=O)[C@H]1CC[C@@H](C)N([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1 ZINC001246813836 1314687709 /nfs/dbraw/zinc/68/77/09/1314687709.db2.gz QPBNWGLEUQGDPP-QXCFHYIPSA-N 1 3 330.472 2.623 20 0 EFADHO c1ccc(C[C@@H]2C[C@H](N3CCN[C@@H](c4ccccc4)C3)CC[NH2+]2)cc1 ZINC001246828986 1314691356 /nfs/dbraw/zinc/69/13/56/1314691356.db2.gz UOMJKXGDPGEDRB-YPAWHYETSA-N 1 3 335.495 2.996 20 0 EFADHO Clc1cccc([C@H]2CSCCN2[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246834176 1314692364 /nfs/dbraw/zinc/69/23/64/1314692364.db2.gz FDQHGVRIMYWHRM-JKSUJKDBSA-N 1 3 337.920 2.524 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001053087468 1314692928 /nfs/dbraw/zinc/69/29/28/1314692928.db2.gz LDGKSEQPTKPIHB-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001053087468 1314692932 /nfs/dbraw/zinc/69/29/32/1314692932.db2.gz LDGKSEQPTKPIHB-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087725 1314693549 /nfs/dbraw/zinc/69/35/49/1314693549.db2.gz NNFZAMSVOALJAL-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087725 1314693553 /nfs/dbraw/zinc/69/35/53/1314693553.db2.gz NNFZAMSVOALJAL-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO COC(=O)c1cccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246866613 1314699157 /nfs/dbraw/zinc/69/91/57/1314699157.db2.gz DMAJNHSIHNADQH-DFNIBXOVSA-N 1 3 328.456 2.936 20 0 EFADHO c1csc([C@@H]2C[NH2+]CCN2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001246886348 1314702915 /nfs/dbraw/zinc/70/29/15/1314702915.db2.gz QMAUFCLCJOJDNA-ROUUACIJSA-N 1 3 327.497 2.969 20 0 EFADHO CC(C)(C)c1ccc(N2CCN([C@@H]3CSC4(C[NH2+]C4)C3)CC2)cc1 ZINC001246892210 1314703575 /nfs/dbraw/zinc/70/35/75/1314703575.db2.gz QJHHXHPUHGKKHK-SFHVURJKSA-N 1 3 345.556 2.954 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889504 1314704206 /nfs/dbraw/zinc/70/42/06/1314704206.db2.gz FBGQWPZZUFBKQM-XWTMOSNGSA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)N2 ZINC001246889504 1314704210 /nfs/dbraw/zinc/70/42/10/1314704210.db2.gz FBGQWPZZUFBKQM-XWTMOSNGSA-N 1 3 340.508 2.730 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246889504 1314704213 /nfs/dbraw/zinc/70/42/13/1314704213.db2.gz FBGQWPZZUFBKQM-XWTMOSNGSA-N 1 3 340.508 2.730 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246917237 1314707214 /nfs/dbraw/zinc/70/72/14/1314707214.db2.gz MYUDOTLRQJOSRG-XGXHKWSGSA-N 1 3 330.472 2.623 20 0 EFADHO COC(=O)c1ccc(C[C@@H](C)N(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246976806 1314721520 /nfs/dbraw/zinc/72/15/20/1314721520.db2.gz WGJIRVIZPNYVLL-WBVHZDCISA-N 1 3 330.472 2.868 20 0 EFADHO Nc1ccncc1CN1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276713914 1314727284 /nfs/dbraw/zinc/72/72/84/1314727284.db2.gz USMQZSRBTJVPDB-FQEVSTJZSA-N 1 3 339.487 2.700 20 0 EFADHO Nc1ccncc1CN1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276713914 1314727287 /nfs/dbraw/zinc/72/72/87/1314727287.db2.gz USMQZSRBTJVPDB-FQEVSTJZSA-N 1 3 339.487 2.700 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001214847415 1314746878 /nfs/dbraw/zinc/74/68/78/1314746878.db2.gz DLFDXTCSFZKSKE-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1)N(C)C ZINC001214952719 1314762173 /nfs/dbraw/zinc/76/21/73/1314762173.db2.gz JCCHURAWAOQBPY-MWOHKCHCSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643526 1314774302 /nfs/dbraw/zinc/77/43/02/1314774302.db2.gz OJSQGGFYQRPWQI-YLFCFFPRSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643526 1314774304 /nfs/dbraw/zinc/77/43/04/1314774304.db2.gz OJSQGGFYQRPWQI-YLFCFFPRSA-N 1 3 337.508 2.991 20 0 EFADHO CCCN(CCC)[C@@H](C)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247417879 1314781170 /nfs/dbraw/zinc/78/11/70/1314781170.db2.gz SIESJFVWMSJYNR-ZDUSSCGKSA-N 1 3 329.448 2.960 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)CN(C)C ZINC000400973524 1314790384 /nfs/dbraw/zinc/79/03/84/1314790384.db2.gz QMSYMYRFKWEPMF-WCXIOVBPSA-N 1 3 339.524 2.809 20 0 EFADHO C[NH+]1CCC(NCc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000401245065 1314801255 /nfs/dbraw/zinc/80/12/55/1314801255.db2.gz XVXQNVPNXPPJCP-UHFFFAOYSA-N 1 3 333.476 2.895 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248028 1314817466 /nfs/dbraw/zinc/81/74/66/1314817466.db2.gz LKJLMRLTZWZICC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248028 1314817469 /nfs/dbraw/zinc/81/74/69/1314817469.db2.gz LKJLMRLTZWZICC-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038278049 1314835226 /nfs/dbraw/zinc/83/52/26/1314835226.db2.gz UBVABKNGADDHOW-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038278049 1314835229 /nfs/dbraw/zinc/83/52/29/1314835229.db2.gz UBVABKNGADDHOW-CEXWTWQISA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)c1ccccc1Cl ZINC001215458589 1314838184 /nfs/dbraw/zinc/83/81/84/1314838184.db2.gz AHOSHNJJIBYYQZ-CKEIUWERSA-N 1 3 337.895 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001215476325 1314839945 /nfs/dbraw/zinc/83/99/45/1314839945.db2.gz DVIKZOPBRWTPAH-ABNANJIJSA-N 1 3 343.515 2.723 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001215536432 1314846621 /nfs/dbraw/zinc/84/66/21/1314846621.db2.gz RIUFRPHZXIHXDN-ODGFMYAOSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001215536007 1314846663 /nfs/dbraw/zinc/84/66/63/1314846663.db2.gz CTTXYIHNKVYHPP-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO c1ccc(Oc2cccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)c2)cc1 ZINC001247831348 1314849300 /nfs/dbraw/zinc/84/93/00/1314849300.db2.gz SIDQCTPIRUSJSY-QGZVFWFLSA-N 1 3 348.406 2.805 20 0 EFADHO c1ccc(Oc2ccccc2-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247832825 1314849379 /nfs/dbraw/zinc/84/93/79/1314849379.db2.gz ZOCOSYUTRZTLLP-MRXNPFEDSA-N 1 3 348.406 2.805 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)cc1 ZINC001215558157 1314851433 /nfs/dbraw/zinc/85/14/33/1314851433.db2.gz MIHDLTBTRKIEDA-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001215571252 1314852085 /nfs/dbraw/zinc/85/20/85/1314852085.db2.gz HGGMTOTZAGODPL-LZQZEXGQSA-N 1 3 349.494 2.535 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3CCC4(CC[NH2+]CC4)O3)n2)cc1 ZINC001247844042 1314852126 /nfs/dbraw/zinc/85/21/26/1314852126.db2.gz JMYRMYBRMGWJRJ-MRXNPFEDSA-N 1 3 342.443 2.772 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1CCCCC1 ZINC001215568068 1314852238 /nfs/dbraw/zinc/85/22/38/1314852238.db2.gz KVRPVMJGSPKZKL-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001215571196 1314852519 /nfs/dbraw/zinc/85/25/19/1314852519.db2.gz DGZZCZQFEWXDMA-RLLQIKCJSA-N 1 3 345.531 2.786 20 0 EFADHO c1ccc(Oc2ccccc2-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247851227 1314853254 /nfs/dbraw/zinc/85/32/54/1314853254.db2.gz ORSIRBQHRMEANJ-UHFFFAOYSA-N 1 3 348.406 2.589 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001215774728 1314877637 /nfs/dbraw/zinc/87/76/37/1314877637.db2.gz WRRNFSSCIZNEBM-KZNAEPCWSA-N 1 3 341.515 2.826 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353842 1314880379 /nfs/dbraw/zinc/88/03/79/1314880379.db2.gz PQEBYTKPYZPLLF-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353842 1314880383 /nfs/dbraw/zinc/88/03/83/1314880383.db2.gz PQEBYTKPYZPLLF-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001215973057 1314896616 /nfs/dbraw/zinc/89/66/16/1314896616.db2.gz NWURSEVEERQZMA-BRWVUGGUSA-N 1 3 329.504 2.683 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001215989412 1314897610 /nfs/dbraw/zinc/89/76/10/1314897610.db2.gz AKTHCPWTLMTFFM-UYAOXDASSA-N 1 3 345.531 2.890 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)c1 ZINC001215994084 1314898352 /nfs/dbraw/zinc/89/83/52/1314898352.db2.gz PHFCKPHOBPUXLZ-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001215994286 1314898594 /nfs/dbraw/zinc/89/85/94/1314898594.db2.gz YZXUPLIFXLRFRH-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215999179 1314898846 /nfs/dbraw/zinc/89/88/46/1314898846.db2.gz TUQNLRCLVZUHQX-YLJYHZDGSA-N 1 3 345.531 2.570 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001216001623 1314900005 /nfs/dbraw/zinc/90/00/05/1314900005.db2.gz GHIBVIBSDLFCOX-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001216002709 1314900028 /nfs/dbraw/zinc/90/00/28/1314900028.db2.gz ZJBXYAFNSMINEJ-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CN(C)Cc1ccc(-c2noc(CC34CCC[NH+]3CCC4)n2)cc1 ZINC001248335937 1314925590 /nfs/dbraw/zinc/92/55/90/1314925590.db2.gz AJKDJHOXZGAFLJ-UHFFFAOYSA-N 1 3 326.444 2.969 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001216216783 1314928203 /nfs/dbraw/zinc/92/82/03/1314928203.db2.gz ACDJDHHWKIQYNU-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001216216783 1314928206 /nfs/dbraw/zinc/92/82/06/1314928206.db2.gz ACDJDHHWKIQYNU-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463893 1314949742 /nfs/dbraw/zinc/94/97/42/1314949742.db2.gz YNWPGGRPBBSSAX-SFHVURJKSA-N 1 3 334.423 2.647 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038463893 1314949746 /nfs/dbraw/zinc/94/97/46/1314949746.db2.gz YNWPGGRPBBSSAX-SFHVURJKSA-N 1 3 334.423 2.647 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038463893 1314949753 /nfs/dbraw/zinc/94/97/53/1314949753.db2.gz YNWPGGRPBBSSAX-SFHVURJKSA-N 1 3 334.423 2.647 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001216511414 1314964417 /nfs/dbraw/zinc/96/44/17/1314964417.db2.gz RMPNTKWIMHKFFY-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](CC)c2ccccc2)C1 ZINC001216516043 1314964562 /nfs/dbraw/zinc/96/45/62/1314964562.db2.gz YBKYGAZUBQYBOV-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001216511732 1314964785 /nfs/dbraw/zinc/96/47/85/1314964785.db2.gz YDWFFEBGUZGJJY-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001216511415 1314965159 /nfs/dbraw/zinc/96/51/59/1314965159.db2.gz RNCSOUGAHQCWOI-MRDYICJFSA-N 1 3 343.515 2.868 20 0 EFADHO CN1CCN(c2ncccc2Nc2c[nH+]cn2Cc2ccccc2)CC1 ZINC001216550097 1314969881 /nfs/dbraw/zinc/96/98/81/1314969881.db2.gz KMXODHZBXFRJRE-UHFFFAOYSA-N 1 3 348.454 2.822 20 0 EFADHO COC(=O)c1cccc(CN2CCC3(CC2)CC[NH+](C)CC3)c1OC ZINC001248920377 1314999295 /nfs/dbraw/zinc/99/92/95/1314999295.db2.gz QGFVLLWBFCIAGM-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828468 1315012685 /nfs/dbraw/zinc/01/26/85/1315012685.db2.gz HRCCXDJTUPHSGZ-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001216851789 1315015576 /nfs/dbraw/zinc/01/55/76/1315015576.db2.gz IJLMTOPGVMBDDM-NIKGAXFTSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001216854211 1315015801 /nfs/dbraw/zinc/01/58/01/1315015801.db2.gz UPXKKDZHAGEPTC-IIDMSEBBSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001216851598 1315016233 /nfs/dbraw/zinc/01/62/33/1315016233.db2.gz BNGGVFGLHHSANU-UXRNRCMTSA-N 1 3 343.515 2.867 20 0 EFADHO c1cc(-c2nc(-c3ccc4c(n3)CCNC4)no2)cc([C@@H]2CCC[NH2+]2)c1 ZINC001217071520 1315033794 /nfs/dbraw/zinc/03/37/94/1315033794.db2.gz VCJLQCIFCQLNGO-INIZCTEOSA-N 1 3 347.422 2.869 20 0 EFADHO Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c[nH]c2c1 ZINC001276753237 1315048516 /nfs/dbraw/zinc/04/85/16/1315048516.db2.gz ARIZWDOFMHULRR-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c[nH]c2c1 ZINC001276753237 1315048523 /nfs/dbraw/zinc/04/85/23/1315048523.db2.gz ARIZWDOFMHULRR-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cncc(Cl)c1)C2 ZINC001276754959 1315064898 /nfs/dbraw/zinc/06/48/98/1315064898.db2.gz VOSRTGLZWMPUDD-SFHVURJKSA-N 1 3 336.911 2.585 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276755521 1315071100 /nfs/dbraw/zinc/07/11/00/1315071100.db2.gz NGPANDFDRCXWRK-UHFFFAOYSA-N 1 3 343.475 2.893 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276755521 1315071105 /nfs/dbraw/zinc/07/11/05/1315071105.db2.gz NGPANDFDRCXWRK-UHFFFAOYSA-N 1 3 343.475 2.893 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc(C(C)(C)C)c[nH]3)CC2)CC1 ZINC001249480189 1315081151 /nfs/dbraw/zinc/08/11/51/1315081151.db2.gz JCBSVSMUUNEVDX-UHFFFAOYSA-N 1 3 332.536 2.772 20 0 EFADHO C[NH+](C)Cc1ccc(-c2noc(-c3nc4c(s3)CNCC4)n2)cc1 ZINC001217542284 1315083662 /nfs/dbraw/zinc/08/36/62/1315083662.db2.gz PWHWYJOPWXYLHQ-UHFFFAOYSA-N 1 3 341.440 2.567 20 0 EFADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276759591 1315104019 /nfs/dbraw/zinc/10/40/19/1315104019.db2.gz MYBXZJVDVOOZGC-ABHMUUKNSA-N 1 3 326.488 2.766 20 0 EFADHO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276759591 1315104020 /nfs/dbraw/zinc/10/40/20/1315104020.db2.gz MYBXZJVDVOOZGC-ABHMUUKNSA-N 1 3 326.488 2.766 20 0 EFADHO CC1(C)N[C@@H](CO[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)CO1 ZINC001217886684 1315119158 /nfs/dbraw/zinc/11/91/58/1315119158.db2.gz VSTZGKWRPCUEMP-ZSYWTGECSA-N 1 3 330.472 2.638 20 0 EFADHO CC1(C)N[C@@H](CO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)CO1 ZINC001217886684 1315119163 /nfs/dbraw/zinc/11/91/63/1315119163.db2.gz VSTZGKWRPCUEMP-ZSYWTGECSA-N 1 3 330.472 2.638 20 0 EFADHO [NH3+]Cc1cccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001218344214 1315181927 /nfs/dbraw/zinc/18/19/27/1315181927.db2.gz SFWHXHQHXRLWBL-FQEVSTJZSA-N 1 3 326.440 2.815 20 0 EFADHO CCOc1cc(C)ccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001250185816 1315182860 /nfs/dbraw/zinc/18/28/60/1315182860.db2.gz AWHYBYCSMQMLRI-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO CN(C)c1ccncc1NC(=O)C[C@H]([NH3+])Cc1ccccc1Cl ZINC001218562820 1315215469 /nfs/dbraw/zinc/21/54/69/1315215469.db2.gz BXWKQUZOGMPXNE-CYBMUJFWSA-N 1 3 332.835 2.700 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001218587811 1315218596 /nfs/dbraw/zinc/21/85/96/1315218596.db2.gz HUOASFZECBGJKW-HNNXBMFYSA-N 1 3 348.422 2.915 20 0 EFADHO Cc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cnc1OC(C)C ZINC001218759121 1315239332 /nfs/dbraw/zinc/23/93/32/1315239332.db2.gz AZXHUYDPORUOGP-INIZCTEOSA-N 1 3 336.480 2.611 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC001250682017 1315242127 /nfs/dbraw/zinc/24/21/27/1315242127.db2.gz NVPKTOWHQGWRNS-QGZVFWFLSA-N 1 3 340.895 2.791 20 0 EFADHO CC(C)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)[C@H](C)C1 ZINC001250690491 1315243970 /nfs/dbraw/zinc/24/39/70/1315243970.db2.gz GVCBCGOFSDLAIT-KYJSFNMBSA-N 1 3 340.895 2.788 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cc(F)cc(Br)c1 ZINC001218836469 1315248272 /nfs/dbraw/zinc/24/82/72/1315248272.db2.gz ISQXQNQPUTUNJV-ZDUSSCGKSA-N 1 3 346.244 2.586 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCN2CCC2CCCC2)CC1 ZINC001038872492 1315252491 /nfs/dbraw/zinc/25/24/91/1315252491.db2.gz PMTGWQUDLBFHPT-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(c1ccc(N)cc1)c1ccc(NC(=O)[C@H](N)CCC[NH3+])cc1 ZINC001218908354 1315258239 /nfs/dbraw/zinc/25/82/39/1315258239.db2.gz HBFSKBNIZDRYJE-GOSISDBHSA-N 1 3 340.471 2.599 20 0 EFADHO CCn1c2ccccc2c2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc21 ZINC001218913742 1315259097 /nfs/dbraw/zinc/25/90/97/1315259097.db2.gz YITIDJFCSUDDJI-KRWDZBQOSA-N 1 3 348.450 2.562 20 0 EFADHO COc1cc2c(cc1NC(=O)[C@H](N)CCC[NH3+])oc1ccccc12 ZINC001218964604 1315265797 /nfs/dbraw/zinc/26/57/97/1315265797.db2.gz XOQWMEMJPMIGDP-CYBMUJFWSA-N 1 3 327.384 2.599 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218994887 1315269981 /nfs/dbraw/zinc/26/99/81/1315269981.db2.gz APKVLGVMWZBDJK-UZLBHIALSA-N 1 3 341.430 2.801 20 0 EFADHO CN1Cc2c(NC(=O)[C@H]3CC[C@@H]3[NH3+])cccc2[C@@H](c2ccccc2)C1 ZINC001219046834 1315276503 /nfs/dbraw/zinc/27/65/03/1315276503.db2.gz KLYGMXLTLOJGDT-SCTDSRPQSA-N 1 3 335.451 2.940 20 0 EFADHO CC(C)(C)c1ccc(Br)c(NC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001219081316 1315280628 /nfs/dbraw/zinc/28/06/28/1315280628.db2.gz ROZGAFSDIJVDAB-LBPRGKRZSA-N 1 3 342.281 2.751 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cccc2c(Cl)ccnc12 ZINC001219114867 1315282349 /nfs/dbraw/zinc/28/23/49/1315282349.db2.gz RDOCCCRXAYCIAN-AWEZNQCLSA-N 1 3 334.851 2.886 20 0 EFADHO O=C(NC[C@H]1CCN1CCCC1CCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038906562 1315285306 /nfs/dbraw/zinc/28/53/06/1315285306.db2.gz ZLTLGVKOGPKFHM-HXUWFJFHSA-N 1 3 347.547 2.879 20 0 EFADHO COc1cnc2c(cccc2NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219182207 1315286921 /nfs/dbraw/zinc/28/69/21/1315286921.db2.gz NVGZWLSKWZHFOC-INIZCTEOSA-N 1 3 344.459 2.678 20 0 EFADHO Nc1ccc(-c2cc3cc(NC(=O)[C@H](N)CCC[NH3+])ccc3o2)cc1 ZINC001219212293 1315291349 /nfs/dbraw/zinc/29/13/49/1315291349.db2.gz BNFJFPVRQJKLJC-MRXNPFEDSA-N 1 3 338.411 2.687 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCCCC1)C12CC[NH+](CC1)C2 ZINC001038926138 1315303306 /nfs/dbraw/zinc/30/33/06/1315303306.db2.gz NVSFTRLITBKHLV-GOSISDBHSA-N 1 3 333.520 2.633 20 0 EFADHO N[C@H](C(=O)Nc1ccccc1-c1ccc(Cl)cn1)C1CC[NH2+]CC1 ZINC001219400526 1315310298 /nfs/dbraw/zinc/31/02/98/1315310298.db2.gz QVFNFELUVTYVQH-KRWDZBQOSA-N 1 3 344.846 2.667 20 0 EFADHO CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669479 1315334701 /nfs/dbraw/zinc/33/47/01/1315334701.db2.gz ZNOSAILWKIFPPC-PXNSSMCTSA-N 1 3 345.531 2.821 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054129169 1315336913 /nfs/dbraw/zinc/33/69/13/1315336913.db2.gz LYVZWECLTZHOHI-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054129169 1315336916 /nfs/dbraw/zinc/33/69/16/1315336916.db2.gz LYVZWECLTZHOHI-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001219779264 1315345837 /nfs/dbraw/zinc/34/58/37/1315345837.db2.gz BDTHQLUGEWQFCS-MSOLQXFVSA-N 1 3 327.472 2.518 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054140840 1315355548 /nfs/dbraw/zinc/35/55/48/1315355548.db2.gz AADDSNOXKKISMK-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054140840 1315355551 /nfs/dbraw/zinc/35/55/51/1315355551.db2.gz AADDSNOXKKISMK-UYAOXDASSA-N 1 3 333.520 2.585 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054140901 1315355667 /nfs/dbraw/zinc/35/56/67/1315355667.db2.gz BJKSCAROGNLGKD-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054140901 1315355670 /nfs/dbraw/zinc/35/56/70/1315355670.db2.gz BJKSCAROGNLGKD-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054141262 1315357090 /nfs/dbraw/zinc/35/70/90/1315357090.db2.gz IBYBRCQPJHCLSO-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054141262 1315357093 /nfs/dbraw/zinc/35/70/93/1315357093.db2.gz IBYBRCQPJHCLSO-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)C2(N(C)C)CCC2)C3)C1 ZINC001054142679 1315358542 /nfs/dbraw/zinc/35/85/42/1315358542.db2.gz GRQSISJFCNJIIQ-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C2(N(C)C)CCC2)C3)C1 ZINC001054142679 1315358544 /nfs/dbraw/zinc/35/85/44/1315358544.db2.gz GRQSISJFCNJIIQ-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144226 1315363019 /nfs/dbraw/zinc/36/30/19/1315363019.db2.gz SHRHYWWJMODNGF-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144226 1315363022 /nfs/dbraw/zinc/36/30/22/1315363022.db2.gz SHRHYWWJMODNGF-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001219994184 1315364170 /nfs/dbraw/zinc/36/41/70/1315364170.db2.gz GHYYUHDSLDPSQL-GGEQCSGTSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001219994184 1315364174 /nfs/dbraw/zinc/36/41/74/1315364174.db2.gz GHYYUHDSLDPSQL-GGEQCSGTSA-N 1 3 345.531 2.582 20 0 EFADHO CC1(C)C[NH2+][C@](C)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001219999428 1315365216 /nfs/dbraw/zinc/36/52/16/1315365216.db2.gz SYUKTEFWRLCKOQ-XLIONFOSSA-N 1 3 329.488 2.718 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145825 1315365799 /nfs/dbraw/zinc/36/57/99/1315365799.db2.gz YFRSFBCFNYZZAF-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054145825 1315365803 /nfs/dbraw/zinc/36/58/03/1315365803.db2.gz YFRSFBCFNYZZAF-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220030375 1315365970 /nfs/dbraw/zinc/36/59/70/1315365970.db2.gz DREQPSFDASEFJI-ROUUACIJSA-N 1 3 329.488 2.764 20 0 EFADHO CC(C)C[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220030375 1315365975 /nfs/dbraw/zinc/36/59/75/1315365975.db2.gz DREQPSFDASEFJI-ROUUACIJSA-N 1 3 329.488 2.764 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001054148027 1315368736 /nfs/dbraw/zinc/36/87/36/1315368736.db2.gz DOYYXGAKOPQYJC-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001054148027 1315368739 /nfs/dbraw/zinc/36/87/39/1315368739.db2.gz DOYYXGAKOPQYJC-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054148662 1315370154 /nfs/dbraw/zinc/37/01/54/1315370154.db2.gz SEUMMNQILASOJA-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054148662 1315370158 /nfs/dbraw/zinc/37/01/58/1315370158.db2.gz SEUMMNQILASOJA-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054154877 1315380435 /nfs/dbraw/zinc/38/04/35/1315380435.db2.gz XLUIPQKWJHEQQF-MJGOQNOKSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054154877 1315380438 /nfs/dbraw/zinc/38/04/38/1315380438.db2.gz XLUIPQKWJHEQQF-MJGOQNOKSA-N 1 3 349.544 2.903 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC001251933355 1315389534 /nfs/dbraw/zinc/38/95/34/1315389534.db2.gz BTWBZOFRTIEHGU-SFHVURJKSA-N 1 3 338.467 2.762 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(F)cc2)CC1 ZINC001251933355 1315389537 /nfs/dbraw/zinc/38/95/37/1315389537.db2.gz BTWBZOFRTIEHGU-SFHVURJKSA-N 1 3 338.467 2.762 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220254114 1315390698 /nfs/dbraw/zinc/39/06/98/1315390698.db2.gz JMIZXLOYRITFCT-HUUCEWRRSA-N 1 3 343.393 2.696 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220254114 1315390703 /nfs/dbraw/zinc/39/07/03/1315390703.db2.gz JMIZXLOYRITFCT-HUUCEWRRSA-N 1 3 343.393 2.696 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N1CCCC1 ZINC001054173461 1315409033 /nfs/dbraw/zinc/40/90/33/1315409033.db2.gz BVDMHGZCJLBTKG-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N1CCCC1 ZINC001054173461 1315409034 /nfs/dbraw/zinc/40/90/34/1315409034.db2.gz BVDMHGZCJLBTKG-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001039040164 1315413715 /nfs/dbraw/zinc/41/37/15/1315413715.db2.gz OSSWJIGQCFIJCX-KVWWFHCMSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001039040164 1315413719 /nfs/dbraw/zinc/41/37/19/1315413719.db2.gz OSSWJIGQCFIJCX-KVWWFHCMSA-N 1 3 329.488 2.598 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001054197375 1315441090 /nfs/dbraw/zinc/44/10/90/1315441090.db2.gz WZPOCZJTZGJVSL-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001054197375 1315441095 /nfs/dbraw/zinc/44/10/95/1315441095.db2.gz WZPOCZJTZGJVSL-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198049 1315442480 /nfs/dbraw/zinc/44/24/80/1315442480.db2.gz OINRLEMHOWQJLN-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001054198049 1315442484 /nfs/dbraw/zinc/44/24/84/1315442484.db2.gz OINRLEMHOWQJLN-RBUKOAKNSA-N 1 3 339.499 2.533 20 0 EFADHO C[NH+]1CCC2(CN(C[C@H](O)COc3cccc4ccccc43)C2)CC1 ZINC001252386740 1315443473 /nfs/dbraw/zinc/44/34/73/1315443473.db2.gz QNCPCKPITMEQGF-SFHVURJKSA-N 1 3 340.467 2.607 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198247 1315443697 /nfs/dbraw/zinc/44/36/97/1315443697.db2.gz SXNHNSBQKKAACJ-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198247 1315443702 /nfs/dbraw/zinc/44/37/02/1315443702.db2.gz SXNHNSBQKKAACJ-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198334 1315444593 /nfs/dbraw/zinc/44/45/93/1315444593.db2.gz VYWVVOMKUURTEG-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198334 1315444597 /nfs/dbraw/zinc/44/45/97/1315444597.db2.gz VYWVVOMKUURTEG-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198512 1315444687 /nfs/dbraw/zinc/44/46/87/1315444687.db2.gz YVDDEXAVYHNCLP-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001054198512 1315444692 /nfs/dbraw/zinc/44/46/92/1315444692.db2.gz YVDDEXAVYHNCLP-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054199477 1315445028 /nfs/dbraw/zinc/44/50/28/1315445028.db2.gz XLUIPQKWJHEQQF-PKOBYXMFSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054199477 1315445030 /nfs/dbraw/zinc/44/50/30/1315445030.db2.gz XLUIPQKWJHEQQF-PKOBYXMFSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc2ccccc21 ZINC001252405110 1315447802 /nfs/dbraw/zinc/44/78/02/1315447802.db2.gz BMGAPRHOAAAAPU-AYBZRNKSSA-N 1 3 328.456 2.509 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc2ccccc21 ZINC001252405110 1315447806 /nfs/dbraw/zinc/44/78/06/1315447806.db2.gz BMGAPRHOAAAAPU-AYBZRNKSSA-N 1 3 328.456 2.509 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205171 1315453363 /nfs/dbraw/zinc/45/33/63/1315453363.db2.gz LZXRXTKRUXVQHP-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205171 1315453365 /nfs/dbraw/zinc/45/33/65/1315453365.db2.gz LZXRXTKRUXVQHP-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220857833 1315457644 /nfs/dbraw/zinc/45/76/44/1315457644.db2.gz ULQKWXNOMLKXMB-MOPGFXCFSA-N 1 3 339.483 2.713 20 0 EFADHO CCCCOC[C@H](O)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001252515214 1315461894 /nfs/dbraw/zinc/46/18/94/1315461894.db2.gz LPALBFGIRFLJEG-HXUWFJFHSA-N 1 3 346.515 2.762 20 0 EFADHO CCCCOC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252526016 1315463142 /nfs/dbraw/zinc/46/31/42/1315463142.db2.gz GWYACMJJEOAJFR-PLACYPQZSA-N 1 3 346.515 2.949 20 0 EFADHO CCCCOC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252526016 1315463147 /nfs/dbraw/zinc/46/31/47/1315463147.db2.gz GWYACMJJEOAJFR-PLACYPQZSA-N 1 3 346.515 2.949 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205387 1315491850 /nfs/dbraw/zinc/49/18/50/1315491850.db2.gz UVXPUIHQALIPBF-RBUKOAKNSA-N 1 3 347.478 2.890 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221205386 1315492111 /nfs/dbraw/zinc/49/21/11/1315492111.db2.gz UVXPUIHQALIPBF-OALUTQOASA-N 1 3 347.478 2.890 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039117438 1315494109 /nfs/dbraw/zinc/49/41/09/1315494109.db2.gz WYNHKGCDIJGZNF-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039117438 1315494112 /nfs/dbraw/zinc/49/41/12/1315494112.db2.gz WYNHKGCDIJGZNF-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054244591 1315515237 /nfs/dbraw/zinc/51/52/37/1315515237.db2.gz HPJJQWHCEAEOSW-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054244591 1315515241 /nfs/dbraw/zinc/51/52/41/1315515241.db2.gz HPJJQWHCEAEOSW-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054244429 1315515298 /nfs/dbraw/zinc/51/52/98/1315515298.db2.gz FLRSNQKNNPCUDW-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054244429 1315515302 /nfs/dbraw/zinc/51/53/02/1315515302.db2.gz FLRSNQKNNPCUDW-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054245632 1315516732 /nfs/dbraw/zinc/51/67/32/1315516732.db2.gz XETSURJZFJAURP-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054245632 1315516735 /nfs/dbraw/zinc/51/67/35/1315516735.db2.gz XETSURJZFJAURP-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245697 1315517256 /nfs/dbraw/zinc/51/72/56/1315517256.db2.gz ZCJGQOHKQBHULZ-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245697 1315517259 /nfs/dbraw/zinc/51/72/59/1315517259.db2.gz ZCJGQOHKQBHULZ-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245696 1315517293 /nfs/dbraw/zinc/51/72/93/1315517293.db2.gz ZCJGQOHKQBHULZ-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001054245696 1315517296 /nfs/dbraw/zinc/51/72/96/1315517296.db2.gz ZCJGQOHKQBHULZ-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134311 1315518022 /nfs/dbraw/zinc/51/80/22/1315518022.db2.gz OZDZNIPGNBBTTJ-UXHICEINSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134311 1315518026 /nfs/dbraw/zinc/51/80/26/1315518026.db2.gz OZDZNIPGNBBTTJ-UXHICEINSA-N 1 3 347.547 2.853 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001039133996 1315518569 /nfs/dbraw/zinc/51/85/69/1315518569.db2.gz NMXNRRFXFALAND-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001039133996 1315518573 /nfs/dbraw/zinc/51/85/73/1315518573.db2.gz NMXNRRFXFALAND-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001221399132 1315520404 /nfs/dbraw/zinc/52/04/04/1315520404.db2.gz LXEHYJYPBGKSAT-PWRODBHTSA-N 1 3 349.478 2.701 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221399129 1315520442 /nfs/dbraw/zinc/52/04/42/1315520442.db2.gz LXEHYJYPBGKSAT-ACRUOGEOSA-N 1 3 349.478 2.701 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135765 1315520637 /nfs/dbraw/zinc/52/06/37/1315520637.db2.gz FKUBJNDABLUXRH-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135765 1315520641 /nfs/dbraw/zinc/52/06/41/1315520641.db2.gz FKUBJNDABLUXRH-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001221407288 1315522593 /nfs/dbraw/zinc/52/25/93/1315522593.db2.gz BDBWKDIHQYPURI-DDGSHTGXSA-N 1 3 347.547 2.765 20 0 EFADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001221407288 1315522597 /nfs/dbraw/zinc/52/25/97/1315522597.db2.gz BDBWKDIHQYPURI-DDGSHTGXSA-N 1 3 347.547 2.765 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001054298031 1315535839 /nfs/dbraw/zinc/53/58/39/1315535839.db2.gz YUQDHHRXRHYQAW-CSODTCANSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1nc2ccc(NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC001252936407 1315536999 /nfs/dbraw/zinc/53/69/99/1315536999.db2.gz JRLBYFJDWAPMIV-HXUWFJFHSA-N 1 3 336.439 2.920 20 0 EFADHO Cc1nc2ccc(NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC001252936407 1315537002 /nfs/dbraw/zinc/53/70/02/1315537002.db2.gz JRLBYFJDWAPMIV-HXUWFJFHSA-N 1 3 336.439 2.920 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594724 1315558467 /nfs/dbraw/zinc/55/84/67/1315558467.db2.gz ARXBWRBOGODQAE-BQWVTDQKSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594724 1315558470 /nfs/dbraw/zinc/55/84/70/1315558470.db2.gz ARXBWRBOGODQAE-BQWVTDQKSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594726 1315558742 /nfs/dbraw/zinc/55/87/42/1315558742.db2.gz ARXBWRBOGODQAE-RTLRUIJZSA-N 1 3 333.520 2.750 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594726 1315558743 /nfs/dbraw/zinc/55/87/43/1315558743.db2.gz ARXBWRBOGODQAE-RTLRUIJZSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163622 1315561444 /nfs/dbraw/zinc/56/14/44/1315561444.db2.gz DSKKHYVSGJOFKZ-QUCCMNQESA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039163622 1315561449 /nfs/dbraw/zinc/56/14/49/1315561449.db2.gz DSKKHYVSGJOFKZ-QUCCMNQESA-N 1 3 349.563 2.935 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164407 1315564051 /nfs/dbraw/zinc/56/40/51/1315564051.db2.gz JJXNJJOGDDTWES-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164407 1315564056 /nfs/dbraw/zinc/56/40/56/1315564056.db2.gz JJXNJJOGDDTWES-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164405 1315564307 /nfs/dbraw/zinc/56/43/07/1315564307.db2.gz JJXNJJOGDDTWES-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164405 1315564311 /nfs/dbraw/zinc/56/43/11/1315564311.db2.gz JJXNJJOGDDTWES-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164710 1315564568 /nfs/dbraw/zinc/56/45/68/1315564568.db2.gz LGDPJNSDKMMEPY-PKOBYXMFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164710 1315564571 /nfs/dbraw/zinc/56/45/71/1315564571.db2.gz LGDPJNSDKMMEPY-PKOBYXMFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166359 1315566579 /nfs/dbraw/zinc/56/65/79/1315566579.db2.gz YDWTUGSTWBGPTR-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC001039166359 1315566582 /nfs/dbraw/zinc/56/65/82/1315566582.db2.gz YDWTUGSTWBGPTR-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221657518 1315571713 /nfs/dbraw/zinc/57/17/13/1315571713.db2.gz YYRNWKUKJBOUIB-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221657518 1315571716 /nfs/dbraw/zinc/57/17/16/1315571716.db2.gz YYRNWKUKJBOUIB-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001221657419 1315572146 /nfs/dbraw/zinc/57/21/46/1315572146.db2.gz VFPNHWLYPDKRBA-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001221657419 1315572151 /nfs/dbraw/zinc/57/21/51/1315572151.db2.gz VFPNHWLYPDKRBA-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC001054736522 1315572781 /nfs/dbraw/zinc/57/27/81/1315572781.db2.gz KFZYHAKDCIYCFS-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172895 1315577353 /nfs/dbraw/zinc/57/73/53/1315577353.db2.gz IFDFZTWFQDJTDF-LJQANCHMSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172895 1315577357 /nfs/dbraw/zinc/57/73/57/1315577357.db2.gz IFDFZTWFQDJTDF-LJQANCHMSA-N 1 3 333.520 2.609 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](C3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC001039172846 1315577387 /nfs/dbraw/zinc/57/73/87/1315577387.db2.gz HAVZVNLBRBOQGU-AFMYVXGZSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](C3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC001039172846 1315577388 /nfs/dbraw/zinc/57/73/88/1315577388.db2.gz HAVZVNLBRBOQGU-AFMYVXGZSA-N 1 3 347.547 2.689 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001253184687 1315577661 /nfs/dbraw/zinc/57/76/61/1315577661.db2.gz IWKOKLYOYYHCHM-PMACEKPBSA-N 1 3 346.515 2.728 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC(COc2ccc(F)cc2)CC1 ZINC001253194186 1315578565 /nfs/dbraw/zinc/57/85/65/1315578565.db2.gz KGSRBZATZQBWQL-SFHVURJKSA-N 1 3 338.467 2.619 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(n2ccc3ccccc32)CC1 ZINC001253193012 1315578793 /nfs/dbraw/zinc/57/87/93/1315578793.db2.gz DDHUCIGFMBVYNV-LJQANCHMSA-N 1 3 329.488 2.981 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCOCC1 ZINC001253208699 1315580442 /nfs/dbraw/zinc/58/04/42/1315580442.db2.gz ANEWJWLSJWNKTO-RTBURBONSA-N 1 3 338.467 2.586 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCCCc1cccc(C(F)(F)F)c1 ZINC001253208224 1315580819 /nfs/dbraw/zinc/58/08/19/1315580819.db2.gz OMKZSEBBKYGPCN-INIZCTEOSA-N 1 3 332.410 2.930 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039179495 1315585359 /nfs/dbraw/zinc/58/53/59/1315585359.db2.gz BBDPGIUCMABYQJ-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039179495 1315585360 /nfs/dbraw/zinc/58/53/60/1315585360.db2.gz BBDPGIUCMABYQJ-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CCOCc2ccccc2)C1 ZINC001253288688 1315589907 /nfs/dbraw/zinc/58/99/07/1315589907.db2.gz AJJYFSOLUWCSFJ-SVFBPWRDSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CCOCc2ccccc2)C1 ZINC001253288688 1315589909 /nfs/dbraw/zinc/58/99/09/1315589909.db2.gz AJJYFSOLUWCSFJ-SVFBPWRDSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001253290211 1315590062 /nfs/dbraw/zinc/59/00/62/1315590062.db2.gz FSQHVPJJXQTMID-ICSRJNTNSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001253290211 1315590064 /nfs/dbraw/zinc/59/00/64/1315590064.db2.gz FSQHVPJJXQTMID-ICSRJNTNSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253290211 1315590066 /nfs/dbraw/zinc/59/00/66/1315590066.db2.gz FSQHVPJJXQTMID-ICSRJNTNSA-N 1 3 334.504 2.808 20 0 EFADHO O[C@@H](CCOCc1ccccc1)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001253293318 1315590747 /nfs/dbraw/zinc/59/07/47/1315590747.db2.gz DEXBRVIVKJXUJL-SFHVURJKSA-N 1 3 339.439 2.663 20 0 EFADHO COc1ccc(CC2(CNC[C@H](O)C[NH2+]C(C)(C)C)CCC2)cc1 ZINC001253411350 1315601502 /nfs/dbraw/zinc/60/15/02/1315601502.db2.gz JIIDYZVKTOYGCO-KRWDZBQOSA-N 1 3 334.504 2.747 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC3CCC3)CC2)cc1 ZINC001253847386 1315647502 /nfs/dbraw/zinc/64/75/02/1315647502.db2.gz NTBPFSJLDRRGOP-IBGZPJMESA-N 1 3 332.488 2.589 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001000192793 1315647929 /nfs/dbraw/zinc/64/79/29/1315647929.db2.gz NHOLZSZTWAPKKI-NVXWUHKLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001000192793 1315647933 /nfs/dbraw/zinc/64/79/33/1315647933.db2.gz NHOLZSZTWAPKKI-NVXWUHKLSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001000191852 1315647960 /nfs/dbraw/zinc/64/79/60/1315647960.db2.gz KOLUKQSLEYZLOM-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001000191857 1315648160 /nfs/dbraw/zinc/64/81/60/1315648160.db2.gz KQCGAEVRSBFAMA-QAPCUYQASA-N 1 3 349.906 2.905 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228681 1315651392 /nfs/dbraw/zinc/65/13/92/1315651392.db2.gz HCDHSPJXIXCNGS-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228681 1315651396 /nfs/dbraw/zinc/65/13/96/1315651396.db2.gz HCDHSPJXIXCNGS-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001039237687 1315662809 /nfs/dbraw/zinc/66/28/09/1315662809.db2.gz JTMZITCPGTUDJL-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001039237687 1315662810 /nfs/dbraw/zinc/66/28/10/1315662810.db2.gz JTMZITCPGTUDJL-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001039237683 1315663105 /nfs/dbraw/zinc/66/31/05/1315663105.db2.gz JTMZITCPGTUDJL-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001039237683 1315663106 /nfs/dbraw/zinc/66/31/06/1315663106.db2.gz JTMZITCPGTUDJL-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001039237690 1315663155 /nfs/dbraw/zinc/66/31/55/1315663155.db2.gz JTMZITCPGTUDJL-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001039237690 1315663158 /nfs/dbraw/zinc/66/31/58/1315663158.db2.gz JTMZITCPGTUDJL-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO OC1(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029951 1315666395 /nfs/dbraw/zinc/66/63/95/1315666395.db2.gz MRKKPTUCICBHLG-VQTJNVASSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029951 1315666398 /nfs/dbraw/zinc/66/63/98/1315666398.db2.gz MRKKPTUCICBHLG-VQTJNVASSA-N 1 3 344.499 2.514 20 0 EFADHO CC(C)Oc1ccccc1OC[C@@H](O)CNC(C)(C)CC[NH+](C)C ZINC001254028286 1315666602 /nfs/dbraw/zinc/66/66/02/1315666602.db2.gz UOFFRSXORAKLMT-INIZCTEOSA-N 1 3 338.492 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239685 1315666968 /nfs/dbraw/zinc/66/69/68/1315666968.db2.gz UOVADVSIOWWFJT-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239685 1315666972 /nfs/dbraw/zinc/66/69/72/1315666972.db2.gz UOVADVSIOWWFJT-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO COC(C)(C)[C@H]1CCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038227 1315667719 /nfs/dbraw/zinc/66/77/19/1315667719.db2.gz AHXSFWBMCQBZAF-LJQANCHMSA-N 1 3 346.515 2.903 20 0 EFADHO COC(C)(C)[C@H]1CCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038227 1315667722 /nfs/dbraw/zinc/66/77/22/1315667722.db2.gz AHXSFWBMCQBZAF-LJQANCHMSA-N 1 3 346.515 2.903 20 0 EFADHO COC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254043223 1315668295 /nfs/dbraw/zinc/66/82/95/1315668295.db2.gz ZVLDUILYADHWCS-YOFSQIOKSA-N 1 3 344.499 2.655 20 0 EFADHO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254043223 1315668299 /nfs/dbraw/zinc/66/82/99/1315668299.db2.gz ZVLDUILYADHWCS-YOFSQIOKSA-N 1 3 344.499 2.655 20 0 EFADHO CC(C)([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1ccncc1 ZINC001254051240 1315669234 /nfs/dbraw/zinc/66/92/34/1315669234.db2.gz DOTFUEJXWCLORJ-UHFFFAOYSA-N 1 3 339.483 2.933 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189593 1315679554 /nfs/dbraw/zinc/67/95/54/1315679554.db2.gz XPDLCECLECZPTI-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189593 1315679557 /nfs/dbraw/zinc/67/95/57/1315679557.db2.gz XPDLCECLECZPTI-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254189593 1315679561 /nfs/dbraw/zinc/67/95/61/1315679561.db2.gz XPDLCECLECZPTI-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO CCCC[N@H+](C)CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254227993 1315684775 /nfs/dbraw/zinc/68/47/75/1315684775.db2.gz JGFUFKSTNQAUCZ-OAHLLOKOSA-N 1 3 341.496 2.624 20 0 EFADHO CCCC[N@@H+](C)CCCN[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254227993 1315684779 /nfs/dbraw/zinc/68/47/79/1315684779.db2.gz JGFUFKSTNQAUCZ-OAHLLOKOSA-N 1 3 341.496 2.624 20 0 EFADHO CC(=O)N1CCC(N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001254421183 1315702779 /nfs/dbraw/zinc/70/27/79/1315702779.db2.gz KHJITHHEBKVOMK-UHFFFAOYSA-N 1 3 349.906 2.687 20 0 EFADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039308995 1315712392 /nfs/dbraw/zinc/71/23/92/1315712392.db2.gz BNXAASJSOQYIDP-AYHJJNSGSA-N 1 3 329.488 2.883 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515711 1315713164 /nfs/dbraw/zinc/71/31/64/1315713164.db2.gz BGIZVYWFSVGNQM-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515711 1315713165 /nfs/dbraw/zinc/71/31/65/1315713165.db2.gz BGIZVYWFSVGNQM-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254518249 1315713846 /nfs/dbraw/zinc/71/38/46/1315713846.db2.gz BHEQSTIDDLQBMB-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254518249 1315713847 /nfs/dbraw/zinc/71/38/47/1315713847.db2.gz BHEQSTIDDLQBMB-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C)CC1 ZINC001254518246 1315714435 /nfs/dbraw/zinc/71/44/35/1315714435.db2.gz BHEQSTIDDLQBMB-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254518246 1315714438 /nfs/dbraw/zinc/71/44/38/1315714438.db2.gz BHEQSTIDDLQBMB-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC3(CC2)c2cccc(F)c2NC3=O)CC1 ZINC001254521935 1315716264 /nfs/dbraw/zinc/71/62/64/1315716264.db2.gz AGSUGRPLAGERNM-AWEZNQCLSA-N 1 3 331.435 2.596 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC3(CC2)c2cccc(F)c2NC3=O)CC1 ZINC001254521935 1315716267 /nfs/dbraw/zinc/71/62/67/1315716267.db2.gz AGSUGRPLAGERNM-AWEZNQCLSA-N 1 3 331.435 2.596 20 0 EFADHO Cc1ccc2nc(C3CCN([C@H]4CCC[N@@H+](C)CC4)CC3)nn2c1 ZINC001254524434 1315718109 /nfs/dbraw/zinc/71/81/09/1315718109.db2.gz ZYPIEOXAHTXUQW-KRWDZBQOSA-N 1 3 327.476 2.701 20 0 EFADHO Cc1ccc2nc(C3CCN([C@H]4CCC[N@H+](C)CC4)CC3)nn2c1 ZINC001254524434 1315718110 /nfs/dbraw/zinc/71/81/10/1315718110.db2.gz ZYPIEOXAHTXUQW-KRWDZBQOSA-N 1 3 327.476 2.701 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001254530571 1315719379 /nfs/dbraw/zinc/71/93/79/1315719379.db2.gz YSMUWQOQRDCILK-SFHVURJKSA-N 1 3 349.906 2.972 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001254530571 1315719381 /nfs/dbraw/zinc/71/93/81/1315719381.db2.gz YSMUWQOQRDCILK-SFHVURJKSA-N 1 3 349.906 2.972 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001254530961 1315720488 /nfs/dbraw/zinc/72/04/88/1315720488.db2.gz IJWJPXISVAULKN-GOSISDBHSA-N 1 3 330.476 2.757 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001254530961 1315720492 /nfs/dbraw/zinc/72/04/92/1315720492.db2.gz IJWJPXISVAULKN-GOSISDBHSA-N 1 3 330.476 2.757 20 0 EFADHO CCN(CC)CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001413065327 1315739668 /nfs/dbraw/zinc/73/96/68/1315739668.db2.gz XVTNBYIHQHDPPK-LJQANCHMSA-N 1 3 333.520 2.946 20 0 EFADHO c1ccc(CN2CCC[C@@H](C[NH2+][C@@H]3CC4CCN(CC4)C3)C2)cc1 ZINC001254835396 1315747363 /nfs/dbraw/zinc/74/73/63/1315747363.db2.gz GQDJOZMJOTZXMD-LEWJYISDSA-N 1 3 327.516 2.973 20 0 EFADHO [NH2+]=C(N[C@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1F ZINC001254847698 1315749683 /nfs/dbraw/zinc/74/96/83/1315749683.db2.gz JJYALGQEMUETFI-LBPRGKRZSA-N 1 3 340.240 2.987 20 0 EFADHO C[NH+](C)C1CCN([C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254900558 1315756514 /nfs/dbraw/zinc/75/65/14/1315756514.db2.gz RCDXNCJJFQEEKR-QLPKVWCKSA-N 1 3 337.508 2.658 20 0 EFADHO COc1ccccc1CC1([NH3+])CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254940362 1315761935 /nfs/dbraw/zinc/76/19/35/1315761935.db2.gz LZKPCWRACIJZBP-PIIMJCKOSA-N 1 3 342.483 2.789 20 0 EFADHO COc1cccc(CC2([NH3+])CCN(C3C[C@H]4CC(=O)C[C@@H]4C3)CC2)c1 ZINC001254942584 1315762115 /nfs/dbraw/zinc/76/21/15/1315762115.db2.gz XKYASUYQEJGTSQ-IRXDYDNUSA-N 1 3 342.483 2.789 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039411410 1315773509 /nfs/dbraw/zinc/77/35/09/1315773509.db2.gz TZBMXSDUYBMLPI-AABGKKOBSA-N 1 3 345.531 2.892 20 0 EFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001255122641 1315778239 /nfs/dbraw/zinc/77/82/39/1315778239.db2.gz TUCGCTUXEYJQQZ-WOZUAGRISA-N 1 3 325.500 2.866 20 0 EFADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCCC1 ZINC001255123485 1315779456 /nfs/dbraw/zinc/77/94/56/1315779456.db2.gz BZNDAAXQWYWTAF-ACDBMABISA-N 1 3 341.499 2.784 20 0 EFADHO O=C(CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCC1 ZINC001255123485 1315779458 /nfs/dbraw/zinc/77/94/58/1315779458.db2.gz BZNDAAXQWYWTAF-ACDBMABISA-N 1 3 341.499 2.784 20 0 EFADHO COC(=O)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136901 1315780960 /nfs/dbraw/zinc/78/09/60/1315780960.db2.gz OKYSQYYOFPSVSZ-INDMIFKZSA-N 1 3 328.456 2.677 20 0 EFADHO COC(=O)[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136901 1315780962 /nfs/dbraw/zinc/78/09/62/1315780962.db2.gz OKYSQYYOFPSVSZ-INDMIFKZSA-N 1 3 328.456 2.677 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CCC([NH3+])(CC3CC3)CC1)C2 ZINC001255197429 1315790440 /nfs/dbraw/zinc/79/04/40/1315790440.db2.gz XVIGCLRPRIKUQM-FVQHAEBGSA-N 1 3 335.492 2.732 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(N(C)C3CC3)CC1)C2 ZINC001255213194 1315792437 /nfs/dbraw/zinc/79/24/37/1315792437.db2.gz DOWFITLDSJHEDZ-PIIMJCKOSA-N 1 3 335.492 2.697 20 0 EFADHO CCC(CC)C[NH+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001050662562 1315792448 /nfs/dbraw/zinc/79/24/48/1315792448.db2.gz KNUQOSNDOMJGMZ-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001050662567 1315792677 /nfs/dbraw/zinc/79/26/77/1315792677.db2.gz KPYZWZPTNLVCFF-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC2CCCC2)CC3)C1 ZINC001050663598 1315794362 /nfs/dbraw/zinc/79/43/62/1315794362.db2.gz VYRLSVYNWRYLSF-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CN(C)C1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255235802 1315795146 /nfs/dbraw/zinc/79/51/46/1315795146.db2.gz YJLOBJLBQYNNEY-FVQHAEBGSA-N 1 3 337.508 2.943 20 0 EFADHO CCOC(=O)C1CCC(N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001255265960 1315798267 /nfs/dbraw/zinc/79/82/67/1315798267.db2.gz CNNDZYCQQRAOHY-UHFFFAOYSA-N 1 3 331.460 2.634 20 0 EFADHO CCCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255309235 1315802808 /nfs/dbraw/zinc/80/28/08/1315802808.db2.gz AMVMNYTUIYOLKF-HKUYNNGSSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460311 1315807015 /nfs/dbraw/zinc/80/70/15/1315807015.db2.gz KIBDMZAYKWTZPD-XHSDSOJGSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460311 1315807017 /nfs/dbraw/zinc/80/70/17/1315807017.db2.gz KIBDMZAYKWTZPD-XHSDSOJGSA-N 1 3 332.492 2.799 20 0 EFADHO CN1CCC(c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)CC1 ZINC001255366873 1315811198 /nfs/dbraw/zinc/81/11/98/1315811198.db2.gz UPSWEZWWRMCLIS-KRWDZBQOSA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC(c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)CC1 ZINC001255366873 1315811201 /nfs/dbraw/zinc/81/12/01/1315811201.db2.gz UPSWEZWWRMCLIS-KRWDZBQOSA-N 1 3 326.444 2.868 20 0 EFADHO c1ccc(CN2CCC[C@H]([NH2+]C3CN(c4ccccn4)C3)CC2)cc1 ZINC001255391180 1315815579 /nfs/dbraw/zinc/81/55/79/1315815579.db2.gz OFYACWCIMBYSCK-IBGZPJMESA-N 1 3 336.483 2.915 20 0 EFADHO OC[C@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397849 1315816161 /nfs/dbraw/zinc/81/61/61/1315816161.db2.gz HXCPMQGIHNAIMY-QZTJIDSGSA-N 1 3 338.442 2.991 20 0 EFADHO OC[C@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397849 1315816163 /nfs/dbraw/zinc/81/61/63/1315816163.db2.gz HXCPMQGIHNAIMY-QZTJIDSGSA-N 1 3 338.442 2.991 20 0 EFADHO CC(=O)N1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397841 1315816223 /nfs/dbraw/zinc/81/62/23/1315816223.db2.gz HWESPUCVMJDIHC-HXUWFJFHSA-N 1 3 329.488 2.595 20 0 EFADHO CC(=O)N1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255397841 1315816226 /nfs/dbraw/zinc/81/62/26/1315816226.db2.gz HWESPUCVMJDIHC-HXUWFJFHSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473335 1315816236 /nfs/dbraw/zinc/81/62/36/1315816236.db2.gz IHECTXCHJCVYKX-MOPGFXCFSA-N 1 3 329.488 2.836 20 0 EFADHO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473335 1315816240 /nfs/dbraw/zinc/81/62/40/1315816240.db2.gz IHECTXCHJCVYKX-MOPGFXCFSA-N 1 3 329.488 2.836 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473784 1315816914 /nfs/dbraw/zinc/81/69/14/1315816914.db2.gz BTJFUIKOPLDDOG-MSOLQXFVSA-N 1 3 329.488 2.836 20 0 EFADHO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473784 1315816917 /nfs/dbraw/zinc/81/69/17/1315816917.db2.gz BTJFUIKOPLDDOG-MSOLQXFVSA-N 1 3 329.488 2.836 20 0 EFADHO COCCCN1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255403673 1315817502 /nfs/dbraw/zinc/81/75/02/1315817502.db2.gz FBSPANLFGNHOPZ-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO COCCCN1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255403673 1315817506 /nfs/dbraw/zinc/81/75/06/1315817506.db2.gz FBSPANLFGNHOPZ-NRFANRHFSA-N 1 3 345.531 2.695 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@H]2C1 ZINC001255409649 1315818981 /nfs/dbraw/zinc/81/89/81/1315818981.db2.gz JYLIPHRWCZDJNL-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255410030 1315819836 /nfs/dbraw/zinc/81/98/36/1315819836.db2.gz PPDZUXBHOPYMJH-MOPGFXCFSA-N 1 3 329.488 2.642 20 0 EFADHO CCNC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255410030 1315819839 /nfs/dbraw/zinc/81/98/39/1315819839.db2.gz PPDZUXBHOPYMJH-MOPGFXCFSA-N 1 3 329.488 2.642 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255409651 1315820341 /nfs/dbraw/zinc/82/03/41/1315820341.db2.gz JYLIPHRWCZDJNL-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255409651 1315820344 /nfs/dbraw/zinc/82/03/44/1315820344.db2.gz JYLIPHRWCZDJNL-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO COC(=O)C[C@H]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255410359 1315820380 /nfs/dbraw/zinc/82/03/80/1315820380.db2.gz VEXDLJYCLSORTE-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)C[C@H]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255410359 1315820381 /nfs/dbraw/zinc/82/03/81/1315820381.db2.gz VEXDLJYCLSORTE-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO CN1CCC[C@@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421705 1315821668 /nfs/dbraw/zinc/82/16/68/1315821668.db2.gz RNKXDXWESKDBRN-SJORKVTESA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC[C@@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421705 1315821671 /nfs/dbraw/zinc/82/16/71/1315821671.db2.gz RNKXDXWESKDBRN-SJORKVTESA-N 1 3 326.444 2.868 20 0 EFADHO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001255442711 1315823973 /nfs/dbraw/zinc/82/39/73/1315823973.db2.gz CLWFLAXDUKXGRI-MOPGFXCFSA-N 1 3 331.504 2.686 20 0 EFADHO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001255442711 1315823977 /nfs/dbraw/zinc/82/39/77/1315823977.db2.gz CLWFLAXDUKXGRI-MOPGFXCFSA-N 1 3 331.504 2.686 20 0 EFADHO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001255442764 1315823992 /nfs/dbraw/zinc/82/39/92/1315823992.db2.gz CLWFLAXDUKXGRI-OALUTQOASA-N 1 3 331.504 2.686 20 0 EFADHO COc1ccc(CN2CCCC[C@H]2C[N@@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001255442764 1315823996 /nfs/dbraw/zinc/82/39/96/1315823996.db2.gz CLWFLAXDUKXGRI-OALUTQOASA-N 1 3 331.504 2.686 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCOC(C)(C)C1)C2 ZINC001255541213 1315836928 /nfs/dbraw/zinc/83/69/28/1315836928.db2.gz OVNCNZCEVNKROG-NLWGTHIKSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCOC(C)(C)C1)C2 ZINC001255541213 1315836932 /nfs/dbraw/zinc/83/69/32/1315836932.db2.gz OVNCNZCEVNKROG-NLWGTHIKSA-N 1 3 336.520 2.624 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCOC(C)(C)C2)CC3)cn1 ZINC001255543119 1315837891 /nfs/dbraw/zinc/83/78/91/1315837891.db2.gz BVPWJTIGKBBZND-GOSISDBHSA-N 1 3 346.519 2.808 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCOC(C)(C)C1)C2 ZINC001255545072 1315838641 /nfs/dbraw/zinc/83/86/41/1315838641.db2.gz OVNCNZCEVNKROG-WSTZPKSXSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCOC(C)(C)C1)C2 ZINC001255545072 1315838644 /nfs/dbraw/zinc/83/86/44/1315838644.db2.gz OVNCNZCEVNKROG-WSTZPKSXSA-N 1 3 336.520 2.624 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039492914 1315841966 /nfs/dbraw/zinc/84/19/66/1315841966.db2.gz ZXQOGNDBZNXQPQ-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCCN)C2CCCCC2)C1 ZINC001255585348 1315843764 /nfs/dbraw/zinc/84/37/64/1315843764.db2.gz PSQWPFOAFFEOLM-MRXNPFEDSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCCN)C2CCCCC2)C1 ZINC001255585348 1315843768 /nfs/dbraw/zinc/84/37/68/1315843768.db2.gz PSQWPFOAFFEOLM-MRXNPFEDSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H](N(CCC[NH3+])C2CCCCC2)C1 ZINC001255585348 1315843772 /nfs/dbraw/zinc/84/37/72/1315843772.db2.gz PSQWPFOAFFEOLM-MRXNPFEDSA-N 1 3 325.497 2.979 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593726 1315845345 /nfs/dbraw/zinc/84/53/45/1315845345.db2.gz NGPWVEPZBKQJJG-PMPSAXMXSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593726 1315845348 /nfs/dbraw/zinc/84/53/48/1315845348.db2.gz NGPWVEPZBKQJJG-PMPSAXMXSA-N 1 3 325.497 2.704 20 0 EFADHO [NH3+]C1(Cc2cccc(F)c2)CCN(C2CCC3(CC2)OCCO3)CC1 ZINC001255619732 1315849008 /nfs/dbraw/zinc/84/90/08/1315849008.db2.gz YMGODCOWXLOOGN-UHFFFAOYSA-N 1 3 348.462 2.847 20 0 EFADHO COc1ccccc1N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255675005 1315856694 /nfs/dbraw/zinc/85/66/94/1315856694.db2.gz XAWDFQCGYQFIMZ-JWTNVVGKSA-N 1 3 329.488 2.833 20 0 EFADHO COc1ccccc1CN1CC[NH+](C2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001255680379 1315857139 /nfs/dbraw/zinc/85/71/39/1315857139.db2.gz QRLHLGQCZCQJKF-YOFSQIOKSA-N 1 3 343.515 2.828 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@H+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255681423 1315857814 /nfs/dbraw/zinc/85/78/14/1315857814.db2.gz UYPQNYXCUPESIZ-DFNIBXOVSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@@H+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255681423 1315857815 /nfs/dbraw/zinc/85/78/15/1315857815.db2.gz UYPQNYXCUPESIZ-DFNIBXOVSA-N 1 3 328.456 2.847 20 0 EFADHO COc1ccc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC001255684259 1315859052 /nfs/dbraw/zinc/85/90/52/1315859052.db2.gz VZBSNICOBQMTBT-SJPCQFCGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1ccc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC001255684259 1315859054 /nfs/dbraw/zinc/85/90/54/1315859054.db2.gz VZBSNICOBQMTBT-SJPCQFCGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccc(OC)c1CN1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001255926206 1315881637 /nfs/dbraw/zinc/88/16/37/1315881637.db2.gz GFQKXZHUAYZNFR-UHFFFAOYSA-N 1 3 329.444 2.801 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255941509 1315882567 /nfs/dbraw/zinc/88/25/67/1315882567.db2.gz SERCZTVQEIJCKT-JYJNAYRXSA-N 1 3 327.513 3.000 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC001255940942 1315882540 /nfs/dbraw/zinc/88/25/40/1315882540.db2.gz JPOUTFDEAPBENX-AWEZNQCLSA-N 1 3 339.915 2.809 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255946242 1315883166 /nfs/dbraw/zinc/88/31/66/1315883166.db2.gz SERCZTVQEIJCKT-HRCADAONSA-N 1 3 327.513 3.000 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001255951851 1315883778 /nfs/dbraw/zinc/88/37/78/1315883778.db2.gz BIDJVLKCFORKPR-YJBOKZPZSA-N 1 3 335.467 2.750 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001255959368 1315885273 /nfs/dbraw/zinc/88/52/73/1315885273.db2.gz LEMOXOIWJMGFOU-YSIASYRMSA-N 1 3 330.520 2.851 20 0 EFADHO CCN(CC)CC[C@H](C)[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001255972426 1315887805 /nfs/dbraw/zinc/88/78/05/1315887805.db2.gz RIWAPGYKVVCCJD-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1)C(F)(F)F ZINC001255976776 1315888256 /nfs/dbraw/zinc/88/82/56/1315888256.db2.gz GHHRRCQDKWUYER-UHFFFAOYSA-N 1 3 347.425 2.536 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039652535 1315890326 /nfs/dbraw/zinc/89/03/26/1315890326.db2.gz DHNCUXDHXLOOTI-QRVBRYPASA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039652535 1315890330 /nfs/dbraw/zinc/89/03/30/1315890330.db2.gz DHNCUXDHXLOOTI-QRVBRYPASA-N 1 3 333.520 2.726 20 0 EFADHO C[NH+](C)CC[C@H](NC1CCN(c2ncccn2)CC1)c1ccccc1 ZINC001256045650 1315896178 /nfs/dbraw/zinc/89/61/78/1315896178.db2.gz RKBHYFYGIBSVEA-IBGZPJMESA-N 1 3 339.487 2.728 20 0 EFADHO c1ccc(CN2CCC(C[NH2+]C3CCN(C4CC4)CC3)CC2)nc1 ZINC001256072816 1315899398 /nfs/dbraw/zinc/89/93/98/1315899398.db2.gz XZDIOTRRIFLGRG-UHFFFAOYSA-N 1 3 328.504 2.510 20 0 EFADHO COCCN(C)[C@@H](CNC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC001256201385 1315916632 /nfs/dbraw/zinc/91/66/32/1315916632.db2.gz AQEKGIXPISHRIP-SFHVURJKSA-N 1 3 339.911 2.643 20 0 EFADHO C[NH+]1CCC(N2CCC(Oc3ncnc4ccccc43)CC2)CC1 ZINC001256209919 1315918660 /nfs/dbraw/zinc/91/86/60/1315918660.db2.gz XENKQPDQCMQJRA-UHFFFAOYSA-N 1 3 326.444 2.567 20 0 EFADHO CCOC(=O)N1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001256244713 1315922521 /nfs/dbraw/zinc/92/25/21/1315922521.db2.gz BDEVBVXDMAABCR-ROUUACIJSA-N 1 3 337.508 2.946 20 0 EFADHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001256244713 1315922518 /nfs/dbraw/zinc/92/25/18/1315922518.db2.gz BDEVBVXDMAABCR-ROUUACIJSA-N 1 3 337.508 2.946 20 0 EFADHO C[C@H](Cc1ccccn1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001256397010 1315934619 /nfs/dbraw/zinc/93/46/19/1315934619.db2.gz CDLOTXRLSXXUFL-GOSISDBHSA-N 1 3 338.499 2.550 20 0 EFADHO COc1ccc(C2(N)CC[NH+]([C@H](C)Cc3ccccn3)CC2)cc1 ZINC001256407219 1315935954 /nfs/dbraw/zinc/93/59/54/1315935954.db2.gz LDLBIZUVLCSZGY-MRXNPFEDSA-N 1 3 325.456 2.971 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256526542 1315951561 /nfs/dbraw/zinc/95/15/61/1315951561.db2.gz MERFXEZMLAIXGG-LPHOPBHVSA-N 1 3 325.456 2.528 20 0 EFADHO C[C@H]1C[C@@H](NCc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256526542 1315951565 /nfs/dbraw/zinc/95/15/65/1315951565.db2.gz MERFXEZMLAIXGG-LPHOPBHVSA-N 1 3 325.456 2.528 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CNC(=O)O3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256555386 1315957796 /nfs/dbraw/zinc/95/77/96/1315957796.db2.gz UNIUHPDCXAUEFA-SJLPKXTDSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CNC(=O)O3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256555386 1315957800 /nfs/dbraw/zinc/95/78/00/1315957800.db2.gz UNIUHPDCXAUEFA-SJLPKXTDSA-N 1 3 343.471 2.614 20 0 EFADHO CN1CCN(c2ccccc2CNC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256557966 1315958963 /nfs/dbraw/zinc/95/89/63/1315958963.db2.gz CVDFNRRZVCUWHQ-UHFFFAOYSA-N 1 3 344.547 2.791 20 0 EFADHO c1cc(CN2CCC(N3CCC([NH+]4CCCCC4)CC3)CC2)ccn1 ZINC001256587614 1315965731 /nfs/dbraw/zinc/96/57/31/1315965731.db2.gz LSLXKCXXGDSAMK-UHFFFAOYSA-N 1 3 342.531 2.996 20 0 EFADHO c1cc(CN2CCC(N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)ccn1 ZINC001256591326 1315966044 /nfs/dbraw/zinc/96/60/44/1315966044.db2.gz SXMPKZXOQCLYEX-HXUWFJFHSA-N 1 3 328.504 2.606 20 0 EFADHO CCOc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678956 1315980146 /nfs/dbraw/zinc/98/01/46/1315980146.db2.gz WZLJYTIWKRLEJG-UHFFFAOYSA-N 1 3 332.488 2.861 20 0 EFADHO COc1cccc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678997 1315980246 /nfs/dbraw/zinc/98/02/46/1315980246.db2.gz YRAPSYFNZLFRIR-UHFFFAOYSA-N 1 3 332.488 2.861 20 0 EFADHO COc1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256681125 1315980842 /nfs/dbraw/zinc/98/08/42/1315980842.db2.gz KVPRUIJYLYTQIB-UHFFFAOYSA-N 1 3 330.472 2.917 20 0 EFADHO COc1ccc2c(C[NH3+])cn(C3CCC(N4CCOCC4)CC3)c2c1 ZINC001256683339 1315981360 /nfs/dbraw/zinc/98/13/60/1315981360.db2.gz YAMKTQFSRFSKCJ-UHFFFAOYSA-N 1 3 343.471 2.925 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256684200 1315981397 /nfs/dbraw/zinc/98/13/97/1315981397.db2.gz OJSWZYUSDKBBSQ-RJYAGPCLSA-N 1 3 346.471 2.752 20 0 EFADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)Cc1cccnc1 ZINC001256687166 1315981540 /nfs/dbraw/zinc/98/15/40/1315981540.db2.gz OUOURLVKUBJCAT-UHFFFAOYSA-N 1 3 331.504 2.883 20 0 EFADHO Fc1ccc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256687402 1315982052 /nfs/dbraw/zinc/98/20/52/1315982052.db2.gz UQPHSGUKXTZTPL-TVPLGVNVSA-N 1 3 333.451 2.905 20 0 EFADHO COc1cc([C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256687553 1315982334 /nfs/dbraw/zinc/98/23/34/1315982334.db2.gz YNBKRRGEVWWMHQ-QLOJAFMTSA-N 1 3 345.487 2.774 20 0 EFADHO COc1cccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)c1OC ZINC001256695445 1315982994 /nfs/dbraw/zinc/98/29/94/1315982994.db2.gz AGWNYCJMIVNLCT-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO COc1cccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)c1OC ZINC001256695445 1315982995 /nfs/dbraw/zinc/98/29/95/1315982995.db2.gz AGWNYCJMIVNLCT-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO COc1cccc(CC[N@H+](C)C2CCC(N3CCOCC3)CC2)c1 ZINC001256698108 1315983779 /nfs/dbraw/zinc/98/37/79/1315983779.db2.gz LQBYVXQDYUYDHJ-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO COc1cccc(CC[N@@H+](C)C2CCC(N3CCOCC3)CC2)c1 ZINC001256698108 1315983781 /nfs/dbraw/zinc/98/37/81/1315983781.db2.gz LQBYVXQDYUYDHJ-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039860988 1315986565 /nfs/dbraw/zinc/98/65/65/1315986565.db2.gz RAQLRIIFLJFFFH-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039860988 1315986568 /nfs/dbraw/zinc/98/65/68/1315986568.db2.gz RAQLRIIFLJFFFH-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)C1 ZINC001039863628 1315988808 /nfs/dbraw/zinc/98/88/08/1315988808.db2.gz KIBWDRVWAFPHOZ-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC(C)C)C1 ZINC001039863628 1315988812 /nfs/dbraw/zinc/98/88/12/1315988812.db2.gz KIBWDRVWAFPHOZ-GBESFXJTSA-N 1 3 335.536 2.830 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256809302 1315993384 /nfs/dbraw/zinc/99/33/84/1315993384.db2.gz YJELSVSXQLLAQC-NHCUHLMSSA-N 1 3 345.531 2.866 20 0 EFADHO CCC1CCC([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001256873123 1316003236 /nfs/dbraw/zinc/00/32/36/1316003236.db2.gz RIWZQMQSWAIRFV-RBGSFJITSA-N 1 3 331.508 2.642 20 0 EFADHO CCC1CCC([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3C)C2)CC1 ZINC001256873123 1316003239 /nfs/dbraw/zinc/00/32/39/1316003239.db2.gz RIWZQMQSWAIRFV-RBGSFJITSA-N 1 3 331.508 2.642 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913799 1316015399 /nfs/dbraw/zinc/01/53/99/1316015399.db2.gz DSPIBMXGDYVDER-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913799 1316015401 /nfs/dbraw/zinc/01/54/01/1316015401.db2.gz DSPIBMXGDYVDER-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914013 1316015939 /nfs/dbraw/zinc/01/59/39/1316015939.db2.gz HLJMXKIKMBCBJR-YSHGAJCASA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914013 1316015942 /nfs/dbraw/zinc/01/59/42/1316015942.db2.gz HLJMXKIKMBCBJR-YSHGAJCASA-N 1 3 347.547 2.686 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914006 1316016138 /nfs/dbraw/zinc/01/61/38/1316016138.db2.gz HLJMXKIKMBCBJR-GDAAHCPNSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914006 1316016140 /nfs/dbraw/zinc/01/61/40/1316016140.db2.gz HLJMXKIKMBCBJR-GDAAHCPNSA-N 1 3 347.547 2.686 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001257035513 1316023603 /nfs/dbraw/zinc/02/36/03/1316023603.db2.gz DJUIASZYDDSAAH-OALUTQOASA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001257041089 1316024131 /nfs/dbraw/zinc/02/41/31/1316024131.db2.gz RDPIINPLBDFQHH-RTBURBONSA-N 1 3 345.487 2.615 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039972466 1316042580 /nfs/dbraw/zinc/04/25/80/1316042580.db2.gz NPPXFQPRBHCFJK-WTGUMLROSA-N 1 3 347.547 2.972 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039972928 1316042865 /nfs/dbraw/zinc/04/28/65/1316042865.db2.gz YKRNEWJGKDWAIZ-MKXGPGLRSA-N 1 3 333.520 2.582 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039972925 1316043002 /nfs/dbraw/zinc/04/30/02/1316043002.db2.gz YKRNEWJGKDWAIZ-HCXYKTFWSA-N 1 3 333.520 2.582 20 0 EFADHO CO[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC001257213699 1316047116 /nfs/dbraw/zinc/04/71/16/1316047116.db2.gz SQNKSWIXTGHLCS-RTWAWAEBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[NH+]1CCC(N2CC[C@@]3(C2)CCCN(c2ncccn2)C3)CC1 ZINC001257217841 1316048137 /nfs/dbraw/zinc/04/81/37/1316048137.db2.gz QTKJBPDMWCMWFZ-HXUWFJFHSA-N 1 3 343.519 2.642 20 0 EFADHO CC(C)[NH+]1CCC(N(C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001257223993 1316049877 /nfs/dbraw/zinc/04/98/77/1316049877.db2.gz LQZQEWRBNYSWMG-FVQHAEBGSA-N 1 3 337.508 2.656 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001040006258 1316052125 /nfs/dbraw/zinc/05/21/25/1316052125.db2.gz WSFOWDGTVBUBAD-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)C1 ZINC001040006258 1316052128 /nfs/dbraw/zinc/05/21/28/1316052128.db2.gz WSFOWDGTVBUBAD-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001040005880 1316052214 /nfs/dbraw/zinc/05/22/14/1316052214.db2.gz KESPHUQVZBHDMB-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001040005880 1316052218 /nfs/dbraw/zinc/05/22/18/1316052218.db2.gz KESPHUQVZBHDMB-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)C1 ZINC001040006216 1316052401 /nfs/dbraw/zinc/05/24/01/1316052401.db2.gz VQBUAJBQTDLNGS-GBESFXJTSA-N 1 3 345.531 2.584 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)C1 ZINC001040006216 1316052403 /nfs/dbraw/zinc/05/24/03/1316052403.db2.gz VQBUAJBQTDLNGS-GBESFXJTSA-N 1 3 345.531 2.584 20 0 EFADHO CCC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257306417 1316055104 /nfs/dbraw/zinc/05/51/04/1316055104.db2.gz REGNPRFHXUXYMA-AEFFLSMTSA-N 1 3 331.504 2.580 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001040015010 1316055317 /nfs/dbraw/zinc/05/53/17/1316055317.db2.gz WROUSFNWNGKZRX-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001040015010 1316055320 /nfs/dbraw/zinc/05/53/20/1316055320.db2.gz WROUSFNWNGKZRX-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001040015010 1316055324 /nfs/dbraw/zinc/05/53/24/1316055324.db2.gz WROUSFNWNGKZRX-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001040015010 1316055327 /nfs/dbraw/zinc/05/53/27/1316055327.db2.gz WROUSFNWNGKZRX-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001040015011 1316055361 /nfs/dbraw/zinc/05/53/61/1316055361.db2.gz WROUSFNWNGKZRX-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001040015011 1316055364 /nfs/dbraw/zinc/05/53/64/1316055364.db2.gz WROUSFNWNGKZRX-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001040015011 1316055366 /nfs/dbraw/zinc/05/53/66/1316055366.db2.gz WROUSFNWNGKZRX-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO O=c1ccc2c(n1CCN1CCCC1)CC[C@@H]([NH2+]C1CCCCC1)C2 ZINC001257450036 1316066873 /nfs/dbraw/zinc/06/68/73/1316066873.db2.gz PNKIGRZWSVFQBT-LJQANCHMSA-N 1 3 343.515 2.724 20 0 EFADHO c1ccc(CN2CCC(C[NH2+]C3CCC4(COC4)CC3)CC2)nc1 ZINC001257902247 1316102013 /nfs/dbraw/zinc/10/20/13/1316102013.db2.gz RLLSSCXYFUHPJK-UHFFFAOYSA-N 1 3 329.488 2.842 20 0 EFADHO CC(C)CN1CCC([NH2+]CCc2nc(-c3ccccc3)no2)CC1 ZINC001258002227 1316108310 /nfs/dbraw/zinc/10/83/10/1316108310.db2.gz CURCORSTIHRECD-UHFFFAOYSA-N 1 3 328.460 2.989 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC001258005823 1316108738 /nfs/dbraw/zinc/10/87/38/1316108738.db2.gz WLOXZKPUQHUQJN-FQEVSTJZSA-N 1 3 331.504 2.602 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001258008384 1316109319 /nfs/dbraw/zinc/10/93/19/1316109319.db2.gz PWQLSSUYBNZICN-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C3CC[NH+](CC(C)C)CC3)O2)n1 ZINC001258012235 1316110223 /nfs/dbraw/zinc/11/02/23/1316110223.db2.gz QNEDUMWFBKAFLY-KZNAEPCWSA-N 1 3 348.491 2.793 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCSC)C2 ZINC001258215372 1316132069 /nfs/dbraw/zinc/13/20/69/1316132069.db2.gz ADPJJKPTKZXGBC-CGTJXYLNSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCSC)C2 ZINC001258215372 1316132071 /nfs/dbraw/zinc/13/20/71/1316132071.db2.gz ADPJJKPTKZXGBC-CGTJXYLNSA-N 1 3 326.550 2.808 20 0 EFADHO CCOC(=O)CCC[C@@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001258124089 1316121743 /nfs/dbraw/zinc/12/17/43/1316121743.db2.gz GHQSBVVRPUXDFF-AEFFLSMTSA-N 1 3 340.508 2.684 20 0 EFADHO CCOC(=O)CCC[C@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001258124091 1316121784 /nfs/dbraw/zinc/12/17/84/1316121784.db2.gz GHQSBVVRPUXDFF-FUHWJXTLSA-N 1 3 340.508 2.684 20 0 EFADHO CSCC[C@H](C)[N@@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258219906 1316133081 /nfs/dbraw/zinc/13/30/81/1316133081.db2.gz MHZNOQDNDWMLIW-RYQLBKOJSA-N 1 3 326.550 2.951 20 0 EFADHO CSCC[C@H](C)[N@H+]1C[C@@H]2CN(CC3CCCC3)CCO[C@@H]2C1 ZINC001258219906 1316133085 /nfs/dbraw/zinc/13/30/85/1316133085.db2.gz MHZNOQDNDWMLIW-RYQLBKOJSA-N 1 3 326.550 2.951 20 0 EFADHO COC(=O)CC[C@H](C)[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001258369064 1316144688 /nfs/dbraw/zinc/14/46/88/1316144688.db2.gz CWAYDLBDKMIAHN-KRWDZBQOSA-N 1 3 345.487 2.711 20 0 EFADHO COC(=O)CC[C@H](C)[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001258371203 1316145368 /nfs/dbraw/zinc/14/53/68/1316145368.db2.gz PLSYMJWDNCEXDO-INIZCTEOSA-N 1 3 334.460 2.909 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236259 1316158257 /nfs/dbraw/zinc/15/82/57/1316158257.db2.gz KKBLIZXIEOKJFR-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236259 1316158258 /nfs/dbraw/zinc/15/82/58/1316158258.db2.gz KKBLIZXIEOKJFR-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(CC3)OCC(C)(C)CO4)C[C@@H]2C1 ZINC001258527219 1316159715 /nfs/dbraw/zinc/15/97/15/1316159715.db2.gz OONMALRIUXYGSZ-CALCHBBNSA-N 1 3 336.520 2.972 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(CC3)OCC(C)(C)CO4)C[C@@H]2C1 ZINC001258527219 1316159717 /nfs/dbraw/zinc/15/97/17/1316159717.db2.gz OONMALRIUXYGSZ-CALCHBBNSA-N 1 3 336.520 2.972 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001040240440 1316159949 /nfs/dbraw/zinc/15/99/49/1316159949.db2.gz FYLWUINEYVPLJG-WIXQSORDSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@]3(CCN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001040240440 1316159952 /nfs/dbraw/zinc/15/99/52/1316159952.db2.gz FYLWUINEYVPLJG-WIXQSORDSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CCC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258568216 1316163412 /nfs/dbraw/zinc/16/34/12/1316163412.db2.gz TWIKXGWLGHQCCX-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570765 1316163847 /nfs/dbraw/zinc/16/38/47/1316163847.db2.gz STLYSKUWKBQAPV-MOPGFXCFSA-N 1 3 329.488 2.642 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001258772875 1316176818 /nfs/dbraw/zinc/17/68/18/1316176818.db2.gz ZOHUJOMGDJHRMX-WBVHZDCISA-N 1 3 337.508 2.802 20 0 EFADHO CCC[NH+]1CCC(N(C)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001258776428 1316178312 /nfs/dbraw/zinc/17/83/12/1316178312.db2.gz BCFHXOPCGQXKKN-FVQHAEBGSA-N 1 3 337.508 2.658 20 0 EFADHO COc1cc(C[C@H](C)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc(OC)c1OC ZINC001258867713 1316186610 /nfs/dbraw/zinc/18/66/10/1316186610.db2.gz IWCKYZJCEFRGMF-UAGQMJEPSA-N 1 3 348.487 2.527 20 0 EFADHO COc1cc(C[C@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)cc(OC)c1OC ZINC001258867713 1316186613 /nfs/dbraw/zinc/18/66/13/1316186613.db2.gz IWCKYZJCEFRGMF-UAGQMJEPSA-N 1 3 348.487 2.527 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(Cc2ccccn2)cn1 ZINC001258905796 1316191053 /nfs/dbraw/zinc/19/10/53/1316191053.db2.gz XRPSBAGQYWMDHY-KRWDZBQOSA-N 1 3 329.492 2.927 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001040393765 1316239781 /nfs/dbraw/zinc/23/97/81/1316239781.db2.gz FSHGYBWIKOHXQU-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001040393765 1316239784 /nfs/dbraw/zinc/23/97/84/1316239784.db2.gz FSHGYBWIKOHXQU-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001040393766 1316240064 /nfs/dbraw/zinc/24/00/64/1316240064.db2.gz FSHGYBWIKOHXQU-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001040393766 1316240065 /nfs/dbraw/zinc/24/00/65/1316240065.db2.gz FSHGYBWIKOHXQU-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001040421121 1316254585 /nfs/dbraw/zinc/25/45/85/1316254585.db2.gz FKGHZKISEKCPBL-HXUWFJFHSA-N 1 3 344.503 2.703 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)C1 ZINC001040421121 1316254587 /nfs/dbraw/zinc/25/45/87/1316254587.db2.gz FKGHZKISEKCPBL-HXUWFJFHSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424481 1316257054 /nfs/dbraw/zinc/25/70/54/1316257054.db2.gz ZOSSGGFDNJHBNR-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424481 1316257057 /nfs/dbraw/zinc/25/70/57/1316257057.db2.gz ZOSSGGFDNJHBNR-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC001040463039 1316279671 /nfs/dbraw/zinc/27/96/71/1316279671.db2.gz FFWRTWIFOBOKBA-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC001040463039 1316279675 /nfs/dbraw/zinc/27/96/75/1316279675.db2.gz FFWRTWIFOBOKBA-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC001040463036 1316279935 /nfs/dbraw/zinc/27/99/35/1316279935.db2.gz FFWRTWIFOBOKBA-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC001040463036 1316279938 /nfs/dbraw/zinc/27/99/38/1316279938.db2.gz FFWRTWIFOBOKBA-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040544801 1316316518 /nfs/dbraw/zinc/31/65/18/1316316518.db2.gz JVBWIOILBVYMPS-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040544801 1316316521 /nfs/dbraw/zinc/31/65/21/1316316521.db2.gz JVBWIOILBVYMPS-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040544851 1316316727 /nfs/dbraw/zinc/31/67/27/1316316727.db2.gz LBQCABSXEZEIGV-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040544851 1316316732 /nfs/dbraw/zinc/31/67/32/1316316732.db2.gz LBQCABSXEZEIGV-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CN(CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2)C1CCC1 ZINC001040729111 1316361409 /nfs/dbraw/zinc/36/14/09/1316361409.db2.gz BOTFVDFFOGXPQA-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001072297288 1316373616 /nfs/dbraw/zinc/37/36/16/1316373616.db2.gz HZYMEWMJDKINBX-WMZOPIPTSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C)c1 ZINC001072369120 1316378199 /nfs/dbraw/zinc/37/81/99/1316378199.db2.gz LRRXMABGCSQNRD-WMZOPIPTSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849453 1316389007 /nfs/dbraw/zinc/38/90/07/1316389007.db2.gz SCJQOFBAVZGAFU-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCC(F)(F)F)CC2)N(C)C ZINC001040852970 1316389251 /nfs/dbraw/zinc/38/92/51/1316389251.db2.gz GPFWIECDUAQFES-AWEZNQCLSA-N 1 3 349.441 2.594 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040953528 1316410446 /nfs/dbraw/zinc/41/04/46/1316410446.db2.gz OZIDPIJOVLSPIR-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1)N(C)C ZINC001262565389 1316472565 /nfs/dbraw/zinc/47/25/65/1316472565.db2.gz KEOZMNLVUCCMIT-NEPJUHHUSA-N 1 3 335.275 2.663 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041277188 1316499293 /nfs/dbraw/zinc/49/92/93/1316499293.db2.gz NOBKOGNEJMHNON-UCKVFGNKSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041277188 1316499295 /nfs/dbraw/zinc/49/92/95/1316499295.db2.gz NOBKOGNEJMHNON-UCKVFGNKSA-N 1 3 339.911 2.536 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)CCC1 ZINC001041355867 1316525622 /nfs/dbraw/zinc/52/56/22/1316525622.db2.gz RRIYOOILUIXBFF-SFHVURJKSA-N 1 3 347.528 2.657 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)CCC1 ZINC001041355867 1316525624 /nfs/dbraw/zinc/52/56/24/1316525624.db2.gz RRIYOOILUIXBFF-SFHVURJKSA-N 1 3 347.528 2.657 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357128 1316526314 /nfs/dbraw/zinc/52/63/14/1316526314.db2.gz DTSUUTLCAZIHNG-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357128 1316526317 /nfs/dbraw/zinc/52/63/17/1316526317.db2.gz DTSUUTLCAZIHNG-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CCC1 ZINC001041357988 1316526651 /nfs/dbraw/zinc/52/66/51/1316526651.db2.gz KAOUZECTCLDZQC-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CCC1 ZINC001041357988 1316526652 /nfs/dbraw/zinc/52/66/52/1316526652.db2.gz KAOUZECTCLDZQC-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CCC1 ZINC001041358692 1316527202 /nfs/dbraw/zinc/52/72/02/1316527202.db2.gz PSQXVQRIQMTOLB-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CCC1 ZINC001041358692 1316527204 /nfs/dbraw/zinc/52/72/04/1316527204.db2.gz PSQXVQRIQMTOLB-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358196 1316527410 /nfs/dbraw/zinc/52/74/10/1316527410.db2.gz LUTTTXGHNVFDEW-CTNGQTDRSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358196 1316527415 /nfs/dbraw/zinc/52/74/15/1316527415.db2.gz LUTTTXGHNVFDEW-CTNGQTDRSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360598 1316528217 /nfs/dbraw/zinc/52/82/17/1316528217.db2.gz ZIYAAFKMFXNZNS-FXAWDEMLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360598 1316528220 /nfs/dbraw/zinc/52/82/20/1316528220.db2.gz ZIYAAFKMFXNZNS-FXAWDEMLSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041377372 1316531936 /nfs/dbraw/zinc/53/19/36/1316531936.db2.gz BCIMRQOMDCNRBS-RXVVDRJESA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041377372 1316531939 /nfs/dbraw/zinc/53/19/39/1316531939.db2.gz BCIMRQOMDCNRBS-RXVVDRJESA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041379634 1316532467 /nfs/dbraw/zinc/53/24/67/1316532467.db2.gz RTJTXCFEEXZASK-FXAWDEMLSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041379634 1316532468 /nfs/dbraw/zinc/53/24/68/1316532468.db2.gz RTJTXCFEEXZASK-FXAWDEMLSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)c1 ZINC001074877889 1316538904 /nfs/dbraw/zinc/53/89/04/1316538904.db2.gz RBFNZBSECRCHQR-BPAFIMBUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)cs1 ZINC001074877717 1316539177 /nfs/dbraw/zinc/53/91/77/1316539177.db2.gz ISMCCMPAEDQXOV-QRTARXTBSA-N 1 3 335.517 2.620 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)[C@@H]2C)C1 ZINC001074878342 1316539472 /nfs/dbraw/zinc/53/94/72/1316539472.db2.gz OJRIZGYEANPIHK-VKJFTORMSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCc3ccccc3Cl)[C@@H]2C)C1 ZINC001074878342 1316539475 /nfs/dbraw/zinc/53/94/75/1316539475.db2.gz OJRIZGYEANPIHK-VKJFTORMSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041401349 1316541009 /nfs/dbraw/zinc/54/10/09/1316541009.db2.gz ABMHNXWEWYAOCV-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041401349 1316541013 /nfs/dbraw/zinc/54/10/13/1316541013.db2.gz ABMHNXWEWYAOCV-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1)[NH+]1CCCC1 ZINC001041536534 1316580712 /nfs/dbraw/zinc/58/07/12/1316580712.db2.gz PEMKHRNFSFGGSB-GNJLHFKMSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674168 1316644300 /nfs/dbraw/zinc/64/43/00/1316644300.db2.gz ITBGNNPJXHDQAN-DYESRHJHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674168 1316644303 /nfs/dbraw/zinc/64/43/03/1316644303.db2.gz ITBGNNPJXHDQAN-DYESRHJHSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001041675315 1316644524 /nfs/dbraw/zinc/64/45/24/1316644524.db2.gz OWAGAVOTSKXEBR-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001041675315 1316644526 /nfs/dbraw/zinc/64/45/26/1316644526.db2.gz OWAGAVOTSKXEBR-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001041676198 1316645103 /nfs/dbraw/zinc/64/51/03/1316645103.db2.gz WAROYOVWGJIEFN-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001041676198 1316645106 /nfs/dbraw/zinc/64/51/06/1316645106.db2.gz WAROYOVWGJIEFN-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679568 1316646201 /nfs/dbraw/zinc/64/62/01/1316646201.db2.gz NVWWLRYUNNRUDG-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679568 1316646204 /nfs/dbraw/zinc/64/62/04/1316646204.db2.gz NVWWLRYUNNRUDG-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678624 1316646382 /nfs/dbraw/zinc/64/63/82/1316646382.db2.gz JEKPPUKUJDCZCF-VQIMIIECSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678624 1316646384 /nfs/dbraw/zinc/64/63/84/1316646384.db2.gz JEKPPUKUJDCZCF-VQIMIIECSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679543 1316646542 /nfs/dbraw/zinc/64/65/42/1316646542.db2.gz NUOWWDXLPFCTAU-RXVVDRJESA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679543 1316646545 /nfs/dbraw/zinc/64/65/45/1316646545.db2.gz NUOWWDXLPFCTAU-RXVVDRJESA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681216 1316646747 /nfs/dbraw/zinc/64/67/47/1316646747.db2.gz ZEPUNGFMUFNUAL-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681216 1316646749 /nfs/dbraw/zinc/64/67/49/1316646749.db2.gz ZEPUNGFMUFNUAL-FXAWDEMLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041684729 1316647632 /nfs/dbraw/zinc/64/76/32/1316647632.db2.gz FIOGHQQMKIIJIP-AZUAARDMSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041684729 1316647636 /nfs/dbraw/zinc/64/76/36/1316647636.db2.gz FIOGHQQMKIIJIP-AZUAARDMSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](CCC3=CCCCC3)C2)C1 ZINC001041715527 1316660278 /nfs/dbraw/zinc/66/02/78/1316660278.db2.gz VVYOQZXCJUNALU-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](CCC3=CCCCC3)C2)C1 ZINC001041715527 1316660282 /nfs/dbraw/zinc/66/02/82/1316660282.db2.gz VVYOQZXCJUNALU-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723564 1316666456 /nfs/dbraw/zinc/66/64/56/1316666456.db2.gz IWLRYBOBDGDMIR-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723564 1316666457 /nfs/dbraw/zinc/66/64/57/1316666457.db2.gz IWLRYBOBDGDMIR-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041724193 1316666657 /nfs/dbraw/zinc/66/66/57/1316666657.db2.gz QFDLPIOKGGJLKD-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041724193 1316666659 /nfs/dbraw/zinc/66/66/59/1316666659.db2.gz QFDLPIOKGGJLKD-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786287 1316697992 /nfs/dbraw/zinc/69/79/92/1316697992.db2.gz UDKMYRHARVWXKS-QFBILLFUSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786287 1316697994 /nfs/dbraw/zinc/69/79/94/1316697994.db2.gz UDKMYRHARVWXKS-QFBILLFUSA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001265059622 1316705629 /nfs/dbraw/zinc/70/56/29/1316705629.db2.gz DVWRPNZUJSIMNG-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001265059622 1316705630 /nfs/dbraw/zinc/70/56/30/1316705630.db2.gz DVWRPNZUJSIMNG-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](CC4CC4)C3)C2)c1 ZINC001041843629 1316730139 /nfs/dbraw/zinc/73/01/39/1316730139.db2.gz UXNZJNHDBZVJNX-OAQYLSRUSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)c1 ZINC001041843629 1316730142 /nfs/dbraw/zinc/73/01/42/1316730142.db2.gz UXNZJNHDBZVJNX-OAQYLSRUSA-N 1 3 341.499 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041844597 1316730464 /nfs/dbraw/zinc/73/04/64/1316730464.db2.gz ACMTXGGFIDIYEZ-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041844597 1316730467 /nfs/dbraw/zinc/73/04/67/1316730467.db2.gz ACMTXGGFIDIYEZ-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041844598 1316730947 /nfs/dbraw/zinc/73/09/47/1316730947.db2.gz ACMTXGGFIDIYEZ-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041844598 1316730948 /nfs/dbraw/zinc/73/09/48/1316730948.db2.gz ACMTXGGFIDIYEZ-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001041845158 1316731512 /nfs/dbraw/zinc/73/15/12/1316731512.db2.gz ULEPCYSBOSXKGI-HXUWFJFHSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041845158 1316731514 /nfs/dbraw/zinc/73/15/14/1316731514.db2.gz ULEPCYSBOSXKGI-HXUWFJFHSA-N 1 3 347.478 2.646 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCCF)[C@H]2C1)N1CCCCC1 ZINC001042061912 1316852095 /nfs/dbraw/zinc/85/20/95/1316852095.db2.gz JFLGGAUFMZUIOM-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCCF)[C@H]2C1)N1CCCCC1 ZINC001042061912 1316852098 /nfs/dbraw/zinc/85/20/98/1316852098.db2.gz JFLGGAUFMZUIOM-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001042062550 1316852354 /nfs/dbraw/zinc/85/23/54/1316852354.db2.gz MTSYJTABAXDZRZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001042062550 1316852356 /nfs/dbraw/zinc/85/23/56/1316852356.db2.gz MTSYJTABAXDZRZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042136861 1316903235 /nfs/dbraw/zinc/90/32/35/1316903235.db2.gz XYASCORAVQGNSZ-QZTJIDSGSA-N 1 3 331.504 2.504 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@H+](CC4CC4)[C@H]3C2)c1 ZINC001042365386 1317218485 /nfs/dbraw/zinc/21/84/85/1317218485.db2.gz NLFNOWFGIDSXKB-ICSRJNTNSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC4CC4)[C@H]3C2)c1 ZINC001042365386 1317218488 /nfs/dbraw/zinc/21/84/88/1317218488.db2.gz NLFNOWFGIDSXKB-ICSRJNTNSA-N 1 3 341.499 2.695 20 0 EFADHO c1cn(CC[N@@H+]2C[C@@H]3CCN(CCc4c[nH]c5ccccc45)[C@@H]3C2)cn1 ZINC001280260592 1317490141 /nfs/dbraw/zinc/49/01/41/1317490141.db2.gz GOZPULJPLUZLDI-GHTZIAJQSA-N 1 3 349.482 2.613 20 0 EFADHO c1cn(CC[N@H+]2C[C@@H]3CCN(CCc4c[nH]c5ccccc45)[C@@H]3C2)cn1 ZINC001280260592 1317490144 /nfs/dbraw/zinc/49/01/44/1317490144.db2.gz GOZPULJPLUZLDI-GHTZIAJQSA-N 1 3 349.482 2.613 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001318822846 1328711489 /nfs/dbraw/zinc/71/14/89/1328711489.db2.gz USQRTQSHMHKTJE-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001403086393 1364291831 /nfs/dbraw/zinc/29/18/31/1364291831.db2.gz PEUXOSBKZLQQBL-ABAIWWIYSA-N 1 3 346.302 2.928 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccsc1)N(C)C ZINC001319788759 1328990163 /nfs/dbraw/zinc/99/01/63/1328990163.db2.gz SFTKTHXWFCPJEY-SJORKVTESA-N 1 3 337.533 2.949 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001491582714 1323723606 /nfs/dbraw/zinc/72/36/06/1323723606.db2.gz GKTOLUITWSUYNG-MFTLYIETSA-N 1 3 337.895 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001491582713 1323723887 /nfs/dbraw/zinc/72/38/87/1323723887.db2.gz GKTOLUITWSUYNG-GMMSVRSPSA-N 1 3 337.895 2.788 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001491651630 1323778801 /nfs/dbraw/zinc/77/88/01/1323778801.db2.gz XGKAAQZPYIJYEE-MRXNPFEDSA-N 1 3 327.472 2.776 20 0 EFADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001492024416 1324184074 /nfs/dbraw/zinc/18/40/74/1324184074.db2.gz PKKNGZBKALDBDW-CQSZACIVSA-N 1 3 345.478 2.781 20 0 EFADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001492085045 1324245216 /nfs/dbraw/zinc/24/52/16/1324245216.db2.gz IPRHXGWJRPMCOP-OAHLLOKOSA-N 1 3 337.483 2.788 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001492316536 1324415789 /nfs/dbraw/zinc/41/57/89/1324415789.db2.gz QKFYVBMUXOAIQI-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001492316536 1324415799 /nfs/dbraw/zinc/41/57/99/1324415799.db2.gz QKFYVBMUXOAIQI-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377786742 1344437515 /nfs/dbraw/zinc/43/75/15/1344437515.db2.gz BZECQYANOFESNX-FUHWJXTLSA-N 1 3 325.541 2.789 20 0 EFADHO CC[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377786742 1344437518 /nfs/dbraw/zinc/43/75/18/1344437518.db2.gz BZECQYANOFESNX-FUHWJXTLSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001322649004 1329475749 /nfs/dbraw/zinc/47/57/49/1329475749.db2.gz RDEINHYBOPYSEY-LJQANCHMSA-N 1 3 347.503 2.506 20 0 EFADHO CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324977658 1329664610 /nfs/dbraw/zinc/66/46/10/1329664610.db2.gz RJLRFDDUDULAJO-MJGOQNOKSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324977658 1329664612 /nfs/dbraw/zinc/66/46/12/1329664612.db2.gz RJLRFDDUDULAJO-MJGOQNOKSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324977657 1329664914 /nfs/dbraw/zinc/66/49/14/1329664914.db2.gz RJLRFDDUDULAJO-IEBWSBKVSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001324977657 1329664916 /nfs/dbraw/zinc/66/49/16/1329664916.db2.gz RJLRFDDUDULAJO-IEBWSBKVSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001381572208 1348369362 /nfs/dbraw/zinc/36/93/62/1348369362.db2.gz HZESOKLHLWLNRQ-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001381572208 1348369366 /nfs/dbraw/zinc/36/93/66/1348369366.db2.gz HZESOKLHLWLNRQ-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001326365972 1329750643 /nfs/dbraw/zinc/75/06/43/1329750643.db2.gz XREQDQFOSVLWEC-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC/C=C\c2ccccc2)C1 ZINC001333103330 1331078533 /nfs/dbraw/zinc/07/85/33/1331078533.db2.gz WMZFUFJMQNCPQC-BCHYDEGOSA-N 1 3 341.499 2.763 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC/C=C/c2ccccc2)C1 ZINC001333103332 1331078591 /nfs/dbraw/zinc/07/85/91/1331078591.db2.gz WMZFUFJMQNCPQC-VGDRAVEFSA-N 1 3 341.499 2.763 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001337270215 1331555945 /nfs/dbraw/zinc/55/59/45/1331555945.db2.gz YZSUYOJQZOUYCN-KXBFYZLASA-N 1 3 326.488 2.574 20 0 EFADHO [NH3+]CCCSCCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001340166801 1332147367 /nfs/dbraw/zinc/14/73/67/1332147367.db2.gz DTHYFAXMMZUBLW-SFHVURJKSA-N 1 3 349.544 2.802 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000847292558 1333493305 /nfs/dbraw/zinc/49/33/05/1333493305.db2.gz AUJYGYCGXVRZET-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001001912677 1333721369 /nfs/dbraw/zinc/72/13/69/1333721369.db2.gz YCKBJNOKCHYORF-OOYWPUHTSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CCN(C/C=C\Cl)CC1 ZINC001001912677 1333721373 /nfs/dbraw/zinc/72/13/73/1333721373.db2.gz YCKBJNOKCHYORF-OOYWPUHTSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1)N1CCCC1 ZINC001100562143 1334293441 /nfs/dbraw/zinc/29/34/41/1334293441.db2.gz BYXITZIKMCKXMO-UHFFFAOYSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001100562569 1334293948 /nfs/dbraw/zinc/29/39/48/1334293948.db2.gz RMYUGHZORAUFBY-UHFFFAOYSA-N 1 3 347.547 2.926 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)C(C)(C)N3CCCC3)C2)c1 ZINC001100562690 1334294259 /nfs/dbraw/zinc/29/42/59/1334294259.db2.gz WZMDEYRWVINCBE-UHFFFAOYSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CCC2CCCC2)C1)N1CCCC1 ZINC001100563389 1334296067 /nfs/dbraw/zinc/29/60/67/1334296067.db2.gz GDKZDICKQMHJDW-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]C/C=C/c2ccccc2)C1 ZINC001100673890 1334545532 /nfs/dbraw/zinc/54/55/32/1334545532.db2.gz DHMBYUMRSUGUSR-HQTIQTMWSA-N 1 3 341.499 2.669 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001100675879 1334549502 /nfs/dbraw/zinc/54/95/02/1334549502.db2.gz BKNYXQSMJWIMTA-HJOIGYKYSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCC2CCCC2)C1 ZINC001100676175 1334549995 /nfs/dbraw/zinc/54/99/95/1334549995.db2.gz JBZIMZJKQOHGTB-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001100676986 1334552797 /nfs/dbraw/zinc/55/27/97/1334552797.db2.gz VPGZITCQKNUQNU-DZIBYMRMSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001100678693 1334556471 /nfs/dbraw/zinc/55/64/71/1334556471.db2.gz TZRHDEDKRBRLSN-HPUBIQBYSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001100678542 1334556500 /nfs/dbraw/zinc/55/65/00/1334556500.db2.gz OFDGKZPIDIZZBO-BUNANXQPSA-N 1 3 341.499 2.526 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCCc3ccsc3)C2)C1 ZINC001100678640 1334557041 /nfs/dbraw/zinc/55/70/41/1334557041.db2.gz RSBVAJHZFWRBRU-ZLPCBKJTSA-N 1 3 349.544 2.507 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001100681940 1334565377 /nfs/dbraw/zinc/56/53/77/1334565377.db2.gz ZKPHSYZLQQCSJM-UHFFFAOYSA-N 1 3 325.541 2.885 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001100683602 1334569150 /nfs/dbraw/zinc/56/91/50/1334569150.db2.gz JQIPZJAEVPSQGN-ACBHZAAOSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001100683774 1334569574 /nfs/dbraw/zinc/56/95/74/1334569574.db2.gz RCXSRMSKKOYZQT-GPANFISMSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)c1ccccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000848536347 1334781147 /nfs/dbraw/zinc/78/11/47/1334781147.db2.gz QKUGVGVKSKNTQC-UHFFFAOYSA-N 1 3 331.504 2.842 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001356055249 1334942831 /nfs/dbraw/zinc/94/28/31/1334942831.db2.gz AVDLYOMMQPLPHW-YQVWRLOYSA-N 1 3 342.487 2.548 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC000849000921 1335033481 /nfs/dbraw/zinc/03/34/81/1335033481.db2.gz HWHOJXFYDJBKDQ-UZLBHIALSA-N 1 3 346.519 2.862 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849054256 1335060514 /nfs/dbraw/zinc/06/05/14/1335060514.db2.gz XWALDMTVNQMWJD-ZDUSSCGKSA-N 1 3 344.381 2.683 20 0 EFADHO [NH2+]=C(NCc1ccc(O)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000849055914 1335060616 /nfs/dbraw/zinc/06/06/16/1335060616.db2.gz KYEWADOCMIRCPJ-UHFFFAOYSA-N 1 3 338.455 2.671 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(C)(C)C)cc1 ZINC000849056663 1335061741 /nfs/dbraw/zinc/06/17/41/1335061741.db2.gz YKUZJTDJMJTLMP-QGZVFWFLSA-N 1 3 346.519 2.961 20 0 EFADHO [NH2+]=C(NCCc1ccco1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056391 1335061813 /nfs/dbraw/zinc/06/18/13/1335061813.db2.gz KDJOEDZFHIBXMQ-UHFFFAOYSA-N 1 3 326.444 2.601 20 0 EFADHO Cc1nc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cs1 ZINC000849057279 1335062473 /nfs/dbraw/zinc/06/24/73/1335062473.db2.gz LNDRHZKJJBJSHV-UHFFFAOYSA-N 1 3 343.500 2.730 20 0 EFADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000849073446 1335069367 /nfs/dbraw/zinc/06/93/67/1335069367.db2.gz CTINPJIRMPBEKR-BMGDILEWSA-N 1 3 330.476 3.000 20 0 EFADHO C[C@H]1CCN(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083582 1335072156 /nfs/dbraw/zinc/07/21/56/1335072156.db2.gz ZDWXZTWRAZMVRI-NSHDSACASA-N 1 3 330.354 2.863 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1oc2ccccc2c1OC ZINC000849089691 1335073221 /nfs/dbraw/zinc/07/32/21/1335073221.db2.gz BSHZOZPVSFJUEC-CYBMUJFWSA-N 1 3 330.432 2.540 20 0 EFADHO [NH2+]=C(NC[C@H]1CCCS1)NC1CCN(Cc2ccccc2)CC1 ZINC000849087308 1335073411 /nfs/dbraw/zinc/07/34/11/1335073411.db2.gz WJWRPHRVPSHTOQ-QGZVFWFLSA-N 1 3 332.517 2.661 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc2ccccc2s1 ZINC000849088067 1335073576 /nfs/dbraw/zinc/07/35/76/1335073576.db2.gz SODVRAQMZQHRKL-GJZGRUSLSA-N 1 3 346.500 2.533 20 0 EFADHO CO[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)C(C)(C)C ZINC000849096578 1335075846 /nfs/dbraw/zinc/07/58/46/1335075846.db2.gz WLWGCBDKQXZWBB-GOSISDBHSA-N 1 3 346.519 2.826 20 0 EFADHO CC[C@@H](C)[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113508 1335554586 /nfs/dbraw/zinc/55/45/86/1335554586.db2.gz PYXXWPFEJZKOGQ-VQIMIIECSA-N 1 3 346.519 2.826 20 0 EFADHO CC[C@](C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849114346 1335554860 /nfs/dbraw/zinc/55/48/60/1335554860.db2.gz FCROBGXGQUXGFQ-LJQANCHMSA-N 1 3 332.492 2.580 20 0 EFADHO CC(C)O[C@H]1C[C@@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849115750 1335555162 /nfs/dbraw/zinc/55/51/62/1335555162.db2.gz CHNHGEBYGAABLL-KDURUIRLSA-N 1 3 344.503 2.721 20 0 EFADHO CSC1(CNCc2sc(N(C)C)nc2Cl)CC[NH+](C)CC1 ZINC001414150339 1335883498 /nfs/dbraw/zinc/88/34/98/1335883498.db2.gz DFUDSDNOABXZIX-UHFFFAOYSA-N 1 3 348.969 2.780 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001361439040 1336082363 /nfs/dbraw/zinc/08/23/63/1336082363.db2.gz SKDZNXRPCYINGI-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001361439040 1336082369 /nfs/dbraw/zinc/08/23/69/1336082369.db2.gz SKDZNXRPCYINGI-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC001361518858 1336141917 /nfs/dbraw/zinc/14/19/17/1336141917.db2.gz AWJHONOXWMPUIE-WOJBJXKFSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001361518858 1336141919 /nfs/dbraw/zinc/14/19/19/1336141919.db2.gz AWJHONOXWMPUIE-WOJBJXKFSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001361852603 1336375461 /nfs/dbraw/zinc/37/54/61/1336375461.db2.gz CPVWIZJPDCBVHC-KZNAEPCWSA-N 1 3 337.552 2.980 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)Cc1ccccc1 ZINC001362025347 1336469457 /nfs/dbraw/zinc/46/94/57/1336469457.db2.gz PDFPSKILROROKL-PMACEKPBSA-N 1 3 345.531 2.929 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCN1C(C)C)Cc1ccccc1 ZINC001362025355 1336469512 /nfs/dbraw/zinc/46/95/12/1336469512.db2.gz PDFPSKILROROKL-VQTJNVASSA-N 1 3 345.531 2.929 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109957 1336507353 /nfs/dbraw/zinc/50/73/53/1336507353.db2.gz MSVRZDZGEDHZKT-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109957 1336507355 /nfs/dbraw/zinc/50/73/55/1336507355.db2.gz MSVRZDZGEDHZKT-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183411 1336542738 /nfs/dbraw/zinc/54/27/38/1336542738.db2.gz FVKDSXODLINEJH-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183411 1336542742 /nfs/dbraw/zinc/54/27/42/1336542742.db2.gz FVKDSXODLINEJH-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001362522482 1336644618 /nfs/dbraw/zinc/64/46/18/1336644618.db2.gz SDRBYELJBHTYKC-WDSOQIARSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001362522482 1336644619 /nfs/dbraw/zinc/64/46/19/1336644619.db2.gz SDRBYELJBHTYKC-WDSOQIARSA-N 1 3 331.504 2.914 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001362753811 1336728528 /nfs/dbraw/zinc/72/85/28/1336728528.db2.gz AVOQGRHTXPLGCR-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001362753811 1336728532 /nfs/dbraw/zinc/72/85/32/1336728532.db2.gz AVOQGRHTXPLGCR-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001362797449 1336745900 /nfs/dbraw/zinc/74/59/00/1336745900.db2.gz DSVBPYLNMFNDNN-QRQLOZEOSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001362799747 1336747381 /nfs/dbraw/zinc/74/73/81/1336747381.db2.gz QFEWOUDXTRCIAE-IBGZPJMESA-N 1 3 333.520 2.946 20 0 EFADHO CN(CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccco1 ZINC001362806611 1336749656 /nfs/dbraw/zinc/74/96/56/1336749656.db2.gz SZRXHZOMKWULDC-UHFFFAOYSA-N 1 3 335.492 2.824 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1CCC(=O)NCC1CCCCC1 ZINC001363315267 1336871067 /nfs/dbraw/zinc/87/10/67/1336871067.db2.gz HJAUGKDNNTYKLC-KRWDZBQOSA-N 1 3 344.503 2.679 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001363625674 1336960442 /nfs/dbraw/zinc/96/04/42/1336960442.db2.gz JSBKFLZNBQQNJU-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001363625674 1336960444 /nfs/dbraw/zinc/96/04/44/1336960444.db2.gz JSBKFLZNBQQNJU-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)C(=O)N1CCCC[C@H]1C ZINC001363874250 1337094690 /nfs/dbraw/zinc/09/46/90/1337094690.db2.gz JNSKYRAAQSEUPE-IAGOWNOFSA-N 1 3 347.503 2.506 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H](C)CCN(CC)CC)CC1 ZINC001363927006 1337117076 /nfs/dbraw/zinc/11/70/76/1337117076.db2.gz DRHULKDBAWAMSN-INIZCTEOSA-N 1 3 327.513 2.955 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC001364053921 1337164002 /nfs/dbraw/zinc/16/40/02/1337164002.db2.gz NPHNXJSVKVLPPM-IBGZPJMESA-N 1 3 349.519 2.781 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001365542721 1337230599 /nfs/dbraw/zinc/23/05/99/1337230599.db2.gz YVZYDFIUWPGASL-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC001365542721 1337230601 /nfs/dbraw/zinc/23/06/01/1337230601.db2.gz YVZYDFIUWPGASL-IRXDYDNUSA-N 1 3 338.540 2.765 20 0 EFADHO Cc1cc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001365936052 1337268930 /nfs/dbraw/zinc/26/89/30/1337268930.db2.gz FOSTZVWIGVCEON-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001365937293 1337270167 /nfs/dbraw/zinc/27/01/67/1337270167.db2.gz HVMRAVRRVKBZRR-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001365937293 1337270171 /nfs/dbraw/zinc/27/01/71/1337270171.db2.gz HVMRAVRRVKBZRR-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001366053329 1337349504 /nfs/dbraw/zinc/34/95/04/1337349504.db2.gz BBEGSHCEPJNSDX-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)sc1C)C1CC1)N(C)C ZINC001366062273 1337355772 /nfs/dbraw/zinc/35/57/72/1337355772.db2.gz MBFLFJYWPQAGSP-SJORKVTESA-N 1 3 337.533 2.690 20 0 EFADHO CC(C)C[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001366079089 1337370799 /nfs/dbraw/zinc/37/07/99/1337370799.db2.gz NMTNPESSSIDNSW-QRVBRYPASA-N 1 3 347.547 2.972 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1F ZINC001366098772 1337378566 /nfs/dbraw/zinc/37/85/66/1337378566.db2.gz MAKWMYMOKJXNOV-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001366179002 1337420321 /nfs/dbraw/zinc/42/03/21/1337420321.db2.gz LBGFRYQRLCQPKB-UXHICEINSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001366179002 1337420322 /nfs/dbraw/zinc/42/03/22/1337420322.db2.gz LBGFRYQRLCQPKB-UXHICEINSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2F)C1)N(C)C ZINC001366186887 1337427028 /nfs/dbraw/zinc/42/70/28/1337427028.db2.gz JJBXOWRQFDTMRO-APWZRJJASA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)N(C)C ZINC001366186887 1337427030 /nfs/dbraw/zinc/42/70/30/1337427030.db2.gz JJBXOWRQFDTMRO-APWZRJJASA-N 1 3 349.494 2.537 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001366203965 1337440808 /nfs/dbraw/zinc/44/08/08/1337440808.db2.gz UXWFKXIAIACIAY-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001366211240 1337447267 /nfs/dbraw/zinc/44/72/67/1337447267.db2.gz ZKMLVMHONRIKDK-QFBILLFUSA-N 1 3 340.471 2.932 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001366226151 1337458896 /nfs/dbraw/zinc/45/88/96/1337458896.db2.gz LMVRXFZYKHSMRR-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001366226151 1337458900 /nfs/dbraw/zinc/45/89/00/1337458900.db2.gz LMVRXFZYKHSMRR-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001366326058 1337513476 /nfs/dbraw/zinc/51/34/76/1337513476.db2.gz OWCWFDZZKGZPHW-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCc1cc(Cl)cc(Cl)c1 ZINC001366327217 1337514497 /nfs/dbraw/zinc/51/44/97/1337514497.db2.gz OATPLILBAXCKMK-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001366331806 1337517536 /nfs/dbraw/zinc/51/75/36/1337517536.db2.gz IEOPZGDYAUGFTR-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001366344753 1337524456 /nfs/dbraw/zinc/52/44/56/1337524456.db2.gz IDSNKFNVCIUTLA-KBXCAEBGSA-N 1 3 335.467 2.639 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001366390476 1337554760 /nfs/dbraw/zinc/55/47/60/1337554760.db2.gz UUMFJJKHUKHOGL-SFHVURJKSA-N 1 3 331.504 2.644 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001366398419 1337558424 /nfs/dbraw/zinc/55/84/24/1337558424.db2.gz WOOAYILMHJLLPF-IRXDYDNUSA-N 1 3 325.541 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001366410149 1337564403 /nfs/dbraw/zinc/56/44/03/1337564403.db2.gz OBGPVLUNEIPDLT-MRXNPFEDSA-N 1 3 343.471 2.713 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001366435577 1337584541 /nfs/dbraw/zinc/58/45/41/1337584541.db2.gz PUMQCSOQSQSXKA-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001366439498 1337589047 /nfs/dbraw/zinc/58/90/47/1337589047.db2.gz TWMGVKASPHIDJE-RBUKOAKNSA-N 1 3 349.494 2.993 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001366451172 1337597966 /nfs/dbraw/zinc/59/79/66/1337597966.db2.gz NSKINMKPPZNOMS-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001366451172 1337597970 /nfs/dbraw/zinc/59/79/70/1337597970.db2.gz NSKINMKPPZNOMS-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001366468117 1337610900 /nfs/dbraw/zinc/61/09/00/1337610900.db2.gz CNDNLWSLFRJARU-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001366504639 1337646402 /nfs/dbraw/zinc/64/64/02/1337646402.db2.gz GJYYBMGFJWQCKS-GUYCJALGSA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001366510183 1337650982 /nfs/dbraw/zinc/65/09/82/1337650982.db2.gz NQXZQTUSFBDCBP-BBRMVZONSA-N 1 3 325.884 2.665 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001366538315 1337674168 /nfs/dbraw/zinc/67/41/68/1337674168.db2.gz UEUCAONBAQMQCQ-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001366538315 1337674170 /nfs/dbraw/zinc/67/41/70/1337674170.db2.gz UEUCAONBAQMQCQ-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN(C)CCc1ccccc1Cl)[NH+](C)C ZINC001366542168 1337677879 /nfs/dbraw/zinc/67/78/79/1337677879.db2.gz UZPXFXIQPFKFTJ-KRWDZBQOSA-N 1 3 339.911 2.517 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001366544954 1337680667 /nfs/dbraw/zinc/68/06/67/1337680667.db2.gz IHIUEPSPNLRTLC-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC001366544954 1337680669 /nfs/dbraw/zinc/68/06/69/1337680669.db2.gz IHIUEPSPNLRTLC-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001366560991 1337694731 /nfs/dbraw/zinc/69/47/31/1337694731.db2.gz ZBOPOPDXLURLBP-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001366596941 1337734535 /nfs/dbraw/zinc/73/45/35/1337734535.db2.gz PTKZJLPAGZEEAL-MRXNPFEDSA-N 1 3 335.467 2.811 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1ccccc1 ZINC001366621364 1337761873 /nfs/dbraw/zinc/76/18/73/1337761873.db2.gz RFZVEMOIZCVZNW-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1ccccc1 ZINC001366621364 1337761877 /nfs/dbraw/zinc/76/18/77/1337761877.db2.gz RFZVEMOIZCVZNW-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001366686108 1337862738 /nfs/dbraw/zinc/86/27/38/1337862738.db2.gz AHANUYZVECWYAM-RBUKOAKNSA-N 1 3 349.494 2.680 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001366686108 1337862745 /nfs/dbraw/zinc/86/27/45/1337862745.db2.gz AHANUYZVECWYAM-RBUKOAKNSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700025 1337887326 /nfs/dbraw/zinc/88/73/26/1337887326.db2.gz HAMZVCFWFQDOSU-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700025 1337887328 /nfs/dbraw/zinc/88/73/28/1337887328.db2.gz HAMZVCFWFQDOSU-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700022 1337887578 /nfs/dbraw/zinc/88/75/78/1337887578.db2.gz HAMZVCFWFQDOSU-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700022 1337887582 /nfs/dbraw/zinc/88/75/82/1337887582.db2.gz HAMZVCFWFQDOSU-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366702357 1337891291 /nfs/dbraw/zinc/89/12/91/1337891291.db2.gz DJLCBESPBJJNFU-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366702357 1337891296 /nfs/dbraw/zinc/89/12/96/1337891296.db2.gz DJLCBESPBJJNFU-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001366703629 1337894753 /nfs/dbraw/zinc/89/47/53/1337894753.db2.gz GIVKRQGDAKHYOO-QUCCMNQESA-N 1 3 345.531 2.890 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001366703629 1337894757 /nfs/dbraw/zinc/89/47/57/1337894757.db2.gz GIVKRQGDAKHYOO-QUCCMNQESA-N 1 3 345.531 2.890 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001366718715 1337916549 /nfs/dbraw/zinc/91/65/49/1337916549.db2.gz GVTGJXKZXKKWMU-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@H]1CCc2ccc(F)cc21 ZINC001366718715 1337916550 /nfs/dbraw/zinc/91/65/50/1337916550.db2.gz GVTGJXKZXKKWMU-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CN(CC[NH2+]C1c2ccccc2-c2ccccc21)C(=O)[C@H]1CCCN1C ZINC001366758842 1337978146 /nfs/dbraw/zinc/97/81/46/1337978146.db2.gz FVIDVSRONOBUNG-HXUWFJFHSA-N 1 3 349.478 2.899 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001366767740 1337988478 /nfs/dbraw/zinc/98/84/78/1337988478.db2.gz HYDLSBCPAXMAFA-GOSISDBHSA-N 1 3 331.504 2.836 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001366769345 1337990305 /nfs/dbraw/zinc/99/03/05/1337990305.db2.gz ONLOFBXNNJXSOK-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001366780516 1337998188 /nfs/dbraw/zinc/99/81/88/1337998188.db2.gz HTHLHDDOHFXOGI-ZDUSSCGKSA-N 1 3 349.441 2.640 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001366821020 1338062489 /nfs/dbraw/zinc/06/24/89/1338062489.db2.gz KOLQYKOQJLLCFD-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001366821020 1338062494 /nfs/dbraw/zinc/06/24/94/1338062494.db2.gz KOLQYKOQJLLCFD-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366848504 1338113822 /nfs/dbraw/zinc/11/38/22/1338113822.db2.gz BVTHGUYRVLHOGT-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366848504 1338113825 /nfs/dbraw/zinc/11/38/25/1338113825.db2.gz BVTHGUYRVLHOGT-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366909873 1338195136 /nfs/dbraw/zinc/19/51/36/1338195136.db2.gz VFWOADSVHFSZMW-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001367009279 1338264496 /nfs/dbraw/zinc/26/44/96/1338264496.db2.gz QLXCJEDVPXAMAZ-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001367009279 1338264499 /nfs/dbraw/zinc/26/44/99/1338264499.db2.gz QLXCJEDVPXAMAZ-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001367035363 1338294839 /nfs/dbraw/zinc/29/48/39/1338294839.db2.gz OIXHTPVWXHFHRH-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001367035363 1338294845 /nfs/dbraw/zinc/29/48/45/1338294845.db2.gz OIXHTPVWXHFHRH-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001367040610 1338301263 /nfs/dbraw/zinc/30/12/63/1338301263.db2.gz YAHVTGSADGNKHB-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001367040610 1338301266 /nfs/dbraw/zinc/30/12/66/1338301266.db2.gz YAHVTGSADGNKHB-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001367065462 1338338998 /nfs/dbraw/zinc/33/89/98/1338338998.db2.gz QPQXOLYQQQNPDF-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001367065462 1338339003 /nfs/dbraw/zinc/33/90/03/1338339003.db2.gz QPQXOLYQQQNPDF-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001367094082 1338379547 /nfs/dbraw/zinc/37/95/47/1338379547.db2.gz BUFSBHADSWXIRX-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001367094086 1338379757 /nfs/dbraw/zinc/37/97/57/1338379757.db2.gz BUFSBHADSWXIRX-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001367103594 1338391012 /nfs/dbraw/zinc/39/10/12/1338391012.db2.gz RVSARLQJXXFEEV-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001367131660 1338419937 /nfs/dbraw/zinc/41/99/37/1338419937.db2.gz JLIMYPDWXQDYEL-VQTJNVASSA-N 1 3 345.531 2.746 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@H]1CCc2c1cccc2F ZINC001367133148 1338424246 /nfs/dbraw/zinc/42/42/46/1338424246.db2.gz NXZDXWFTEZSCEH-KSSFIOAISA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001367135358 1338426610 /nfs/dbraw/zinc/42/66/10/1338426610.db2.gz RXFWMMDZPQFHMC-CJNGLKHVSA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cc2)CC1)N(C)C ZINC001367201532 1338508338 /nfs/dbraw/zinc/50/83/38/1338508338.db2.gz YAMBJKHYHKJIPE-ZHALLVOQSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H]1CCCC[C@@]1(CNCc1ccccn1)NC(=O)CCC[NH+](C)C ZINC001367201317 1338508349 /nfs/dbraw/zinc/50/83/49/1338508349.db2.gz YIYXPYABDCIQFP-PXNSSMCTSA-N 1 3 346.519 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC001367225601 1338534126 /nfs/dbraw/zinc/53/41/26/1338534126.db2.gz PMTGLVILKJCMEJ-ZWKOTPCHSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F ZINC001367226119 1338534636 /nfs/dbraw/zinc/53/46/36/1338534636.db2.gz UHPXORHWKMZPIF-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001367268052 1338567812 /nfs/dbraw/zinc/56/78/12/1338567812.db2.gz GPHYVIRZWWXZKK-SWLSCSKDSA-N 1 3 345.940 2.830 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC1CCCCC1 ZINC001367273841 1338573759 /nfs/dbraw/zinc/57/37/59/1338573759.db2.gz UCJGKOIJJPADIO-INIZCTEOSA-N 1 3 325.541 2.887 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367278945 1338578922 /nfs/dbraw/zinc/57/89/22/1338578922.db2.gz UWQNDLJNACNLEA-LPHOPBHVSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326436 1338625169 /nfs/dbraw/zinc/62/51/69/1338625169.db2.gz DXNKXINXAFWSPJ-JKSUJKDBSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](NC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326436 1338625170 /nfs/dbraw/zinc/62/51/70/1338625170.db2.gz DXNKXINXAFWSPJ-JKSUJKDBSA-N 1 3 347.478 2.857 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001367380891 1338676236 /nfs/dbraw/zinc/67/62/36/1338676236.db2.gz HZMONDHYCGKLID-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001367386277 1338681978 /nfs/dbraw/zinc/68/19/78/1338681978.db2.gz UAODGNHITFFUNX-WBMJQRKESA-N 1 3 325.522 2.642 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001367400923 1338698966 /nfs/dbraw/zinc/69/89/66/1338698966.db2.gz NWFJSDIKGFVDKZ-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001367437627 1338739707 /nfs/dbraw/zinc/73/97/07/1338739707.db2.gz GGMWPIQKCVFTTN-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001367453042 1338755413 /nfs/dbraw/zinc/75/54/13/1338755413.db2.gz QTTRBVQRFZCVJA-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccn1 ZINC001367456356 1338758136 /nfs/dbraw/zinc/75/81/36/1338758136.db2.gz XZEPSQDPJOFDHX-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccn1 ZINC001367456356 1338758138 /nfs/dbraw/zinc/75/81/38/1338758138.db2.gz XZEPSQDPJOFDHX-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001367509248 1338807352 /nfs/dbraw/zinc/80/73/52/1338807352.db2.gz FVERLCQCADJHFP-MSOLQXFVSA-N 1 3 349.906 2.812 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001367509248 1338807362 /nfs/dbraw/zinc/80/73/62/1338807362.db2.gz FVERLCQCADJHFP-MSOLQXFVSA-N 1 3 349.906 2.812 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525877 1338826692 /nfs/dbraw/zinc/82/66/92/1338826692.db2.gz DFJXNNZXPNUZGE-LJQANCHMSA-N 1 3 331.504 2.794 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001367525877 1338826697 /nfs/dbraw/zinc/82/66/97/1338826697.db2.gz DFJXNNZXPNUZGE-LJQANCHMSA-N 1 3 331.504 2.794 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001367552244 1338863009 /nfs/dbraw/zinc/86/30/09/1338863009.db2.gz DTGXPPRZSQUIKJ-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001367552244 1338863010 /nfs/dbraw/zinc/86/30/10/1338863010.db2.gz DTGXPPRZSQUIKJ-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001367560548 1338872354 /nfs/dbraw/zinc/87/23/54/1338872354.db2.gz JHVLFQONKYQGGX-VQIMIIECSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001367638125 1338893795 /nfs/dbraw/zinc/89/37/95/1338893795.db2.gz LRGVQMRUBWHAQS-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CC[NH2+][C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001367638333 1338894014 /nfs/dbraw/zinc/89/40/14/1338894014.db2.gz LRGVQMRUBWHAQS-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001367648194 1338903586 /nfs/dbraw/zinc/90/35/86/1338903586.db2.gz OOELITYAEBCHKX-PXAZEXFGSA-N 1 3 344.434 2.572 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001367648183 1338903660 /nfs/dbraw/zinc/90/36/60/1338903660.db2.gz OKCWNXISSWOZGG-KSSFIOAISA-N 1 3 335.467 2.639 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001367648200 1338903689 /nfs/dbraw/zinc/90/36/89/1338903689.db2.gz OOELITYAEBCHKX-SJCJKPOMSA-N 1 3 344.434 2.572 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2Cl)NC(=O)C1(N(C)C)CCC1 ZINC001367675196 1338920231 /nfs/dbraw/zinc/92/02/31/1338920231.db2.gz MNYXKJLRUNSVQG-DYVFJYSZSA-N 1 3 349.906 2.906 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C ZINC001367688258 1338929869 /nfs/dbraw/zinc/92/98/69/1338929869.db2.gz FOBQXBYTYNUDLV-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001367709638 1338948674 /nfs/dbraw/zinc/94/86/74/1338948674.db2.gz VOFVDCMRRQIBEN-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001367736037 1338967408 /nfs/dbraw/zinc/96/74/08/1338967408.db2.gz YOMZASYQSFANAQ-INIZCTEOSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001367740862 1338970448 /nfs/dbraw/zinc/97/04/48/1338970448.db2.gz SINFIMMLJHRTBW-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001367837954 1339054112 /nfs/dbraw/zinc/05/41/12/1339054112.db2.gz VJCBTBHFMNXSGR-DNVCBOLYSA-N 1 3 345.487 2.956 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccccc1Cl)N(C)C ZINC001367839248 1339055942 /nfs/dbraw/zinc/05/59/42/1339055942.db2.gz VEGCKHQIYNBXHX-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccccc1Cl)N(C)C ZINC001367839248 1339055943 /nfs/dbraw/zinc/05/59/43/1339055943.db2.gz VEGCKHQIYNBXHX-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001367904305 1339097344 /nfs/dbraw/zinc/09/73/44/1339097344.db2.gz SRPBXDQNCGTZBG-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001367906345 1339099077 /nfs/dbraw/zinc/09/90/77/1339099077.db2.gz AOWAKYTUIUKWJC-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CC2)c1 ZINC001367916995 1339106257 /nfs/dbraw/zinc/10/62/57/1339106257.db2.gz CXUYQJOYINXRSY-IBGZPJMESA-N 1 3 329.488 2.646 20 0 EFADHO Cc1cc(F)ccc1CNC1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001368005410 1339153707 /nfs/dbraw/zinc/15/37/07/1339153707.db2.gz KIBZVOHAANIRAA-UHFFFAOYSA-N 1 3 345.462 2.501 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC001368019742 1339161089 /nfs/dbraw/zinc/16/10/89/1339161089.db2.gz NNUBVWPSHYXODM-SFHVURJKSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(NCc2cccc(Cl)c2)CC1)[NH+](C)C ZINC001368033778 1339167312 /nfs/dbraw/zinc/16/73/12/1339167312.db2.gz AOCJOPKNAOMUQU-INIZCTEOSA-N 1 3 337.895 2.665 20 0 EFADHO Cc1cc(F)ccc1CNC1(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001368039833 1339171065 /nfs/dbraw/zinc/17/10/65/1339171065.db2.gz BOEZUTCLFQGDOP-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@H]1C ZINC001368106130 1339196704 /nfs/dbraw/zinc/19/67/04/1339196704.db2.gz MELWNXBGTLUJNP-WBVHZDCISA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2ccc(F)cc2C)CC1 ZINC001368128559 1339206598 /nfs/dbraw/zinc/20/65/98/1339206598.db2.gz RSOFCZYBZWHIPX-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2ccc(F)cc2C)CC1 ZINC001368128559 1339206600 /nfs/dbraw/zinc/20/66/00/1339206600.db2.gz RSOFCZYBZWHIPX-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001368177823 1339238364 /nfs/dbraw/zinc/23/83/64/1339238364.db2.gz LPKYOJDVRMJJPM-SFHVURJKSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001368177823 1339238367 /nfs/dbraw/zinc/23/83/67/1339238367.db2.gz LPKYOJDVRMJJPM-SFHVURJKSA-N 1 3 337.533 2.869 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001368189473 1339245084 /nfs/dbraw/zinc/24/50/84/1339245084.db2.gz LTQOWKFJTFCKID-AZUAARDMSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001368193224 1339247255 /nfs/dbraw/zinc/24/72/55/1339247255.db2.gz GHIGTOHVGBQCCR-PZJWPPBQSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001368199789 1339250932 /nfs/dbraw/zinc/25/09/32/1339250932.db2.gz UKRWLBZDHVDNPJ-JXFKEZNVSA-N 1 3 340.471 2.850 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)C1 ZINC001368487484 1339424511 /nfs/dbraw/zinc/42/45/11/1339424511.db2.gz SSXFHEBQYGFPSJ-INIZCTEOSA-N 1 3 341.455 2.513 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)C1 ZINC001368487484 1339424515 /nfs/dbraw/zinc/42/45/15/1339424515.db2.gz SSXFHEBQYGFPSJ-INIZCTEOSA-N 1 3 341.455 2.513 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001368508278 1339443664 /nfs/dbraw/zinc/44/36/64/1339443664.db2.gz ABXFGZSGBWWSLE-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001368508278 1339443667 /nfs/dbraw/zinc/44/36/67/1339443667.db2.gz ABXFGZSGBWWSLE-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001368517302 1339452875 /nfs/dbraw/zinc/45/28/75/1339452875.db2.gz SXRFVCDKJRAEQD-HKUYNNGSSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001368517302 1339452880 /nfs/dbraw/zinc/45/28/80/1339452880.db2.gz SXRFVCDKJRAEQD-HKUYNNGSSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001368522728 1339458982 /nfs/dbraw/zinc/45/89/82/1339458982.db2.gz FMQQDQTYKCFXGD-KDURUIRLSA-N 1 3 331.504 2.630 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001368527344 1339464170 /nfs/dbraw/zinc/46/41/70/1339464170.db2.gz MOHSOIXJFOCHGM-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001368527344 1339464171 /nfs/dbraw/zinc/46/41/71/1339464171.db2.gz MOHSOIXJFOCHGM-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)[C@H]1CCCCN1C ZINC001368549215 1339486613 /nfs/dbraw/zinc/48/66/13/1339486613.db2.gz PUKWQSMMEHVRNN-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)[C@H]1CCCCN1C ZINC001368549215 1339486614 /nfs/dbraw/zinc/48/66/14/1339486614.db2.gz PUKWQSMMEHVRNN-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001368550892 1339488958 /nfs/dbraw/zinc/48/89/58/1339488958.db2.gz ZPRHZBCDUBSFOG-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001368550892 1339488960 /nfs/dbraw/zinc/48/89/60/1339488960.db2.gz ZPRHZBCDUBSFOG-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001368574216 1339523547 /nfs/dbraw/zinc/52/35/47/1339523547.db2.gz NYTTZNYUMFWZCD-IYARVYRRSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001368574255 1339524467 /nfs/dbraw/zinc/52/44/67/1339524467.db2.gz OIVQLZIPAXPVSZ-UAPYVXQJSA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1)N(C)C ZINC001368590675 1339536258 /nfs/dbraw/zinc/53/62/58/1339536258.db2.gz NQYSODWNDFUKRU-RWQQGDIJSA-N 1 3 331.504 2.881 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001368678162 1339592363 /nfs/dbraw/zinc/59/23/63/1339592363.db2.gz YRAPSAKTQNBWAI-HNNXBMFYSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(C)C ZINC001368678162 1339592368 /nfs/dbraw/zinc/59/23/68/1339592368.db2.gz YRAPSAKTQNBWAI-HNNXBMFYSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001368710481 1339630556 /nfs/dbraw/zinc/63/05/56/1339630556.db2.gz SCOGZFLUPHGRJQ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001368710481 1339630559 /nfs/dbraw/zinc/63/05/59/1339630559.db2.gz SCOGZFLUPHGRJQ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@H](C)C1 ZINC001368712018 1339631358 /nfs/dbraw/zinc/63/13/58/1339631358.db2.gz VJXBROYLLAVHMT-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@H](C)C1 ZINC001368712018 1339631362 /nfs/dbraw/zinc/63/13/62/1339631362.db2.gz VJXBROYLLAVHMT-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368770852 1339696237 /nfs/dbraw/zinc/69/62/37/1339696237.db2.gz PZJILKUXIMAHKV-SFHVURJKSA-N 1 3 325.541 2.789 20 0 EFADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368770852 1339696241 /nfs/dbraw/zinc/69/62/41/1339696241.db2.gz PZJILKUXIMAHKV-SFHVURJKSA-N 1 3 325.541 2.789 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001369085912 1339905326 /nfs/dbraw/zinc/90/53/26/1339905326.db2.gz GDVXDYOQEHAGQM-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001369089852 1339907824 /nfs/dbraw/zinc/90/78/24/1339907824.db2.gz OMNLILMFEPQPCX-DLBZAZTESA-N 1 3 343.515 2.916 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001369088708 1339908271 /nfs/dbraw/zinc/90/82/71/1339908271.db2.gz OBKYRRFGPNZCDB-OXQOHEQNSA-N 1 3 345.531 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001369098933 1339914131 /nfs/dbraw/zinc/91/41/31/1339914131.db2.gz RQQHVSQLMBZBBN-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001369098933 1339914134 /nfs/dbraw/zinc/91/41/34/1339914134.db2.gz RQQHVSQLMBZBBN-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001369098931 1339914510 /nfs/dbraw/zinc/91/45/10/1339914510.db2.gz RQQHVSQLMBZBBN-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2ccc(C)c(C)c2)C1 ZINC001369098931 1339914513 /nfs/dbraw/zinc/91/45/13/1339914513.db2.gz RQQHVSQLMBZBBN-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC1CC(C[N@@H+]2CCCC3(CN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001369155616 1339948235 /nfs/dbraw/zinc/94/82/35/1339948235.db2.gz RNOCFXZUHZDCRW-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@H+]2CCCC3(CN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001369155616 1339948237 /nfs/dbraw/zinc/94/82/37/1339948237.db2.gz RNOCFXZUHZDCRW-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001370266119 1339996725 /nfs/dbraw/zinc/99/67/25/1339996725.db2.gz QEWZZAYZSJFDBJ-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCC(F)(F)F)C2)CCC1 ZINC001370294502 1340015171 /nfs/dbraw/zinc/01/51/71/1340015171.db2.gz GDFOPMVPUYQZRZ-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CCC(F)(F)F)C2)CCC1 ZINC001370294502 1340015172 /nfs/dbraw/zinc/01/51/72/1340015172.db2.gz GDFOPMVPUYQZRZ-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305617 1340024550 /nfs/dbraw/zinc/02/45/50/1340024550.db2.gz UEFYFGXMGDIHBL-DLBZAZTESA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305617 1340024554 /nfs/dbraw/zinc/02/45/54/1340024554.db2.gz UEFYFGXMGDIHBL-DLBZAZTESA-N 1 3 334.508 2.805 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001370486121 1340097887 /nfs/dbraw/zinc/09/78/87/1340097887.db2.gz SYFDNROVCRBDAJ-MBOZVWFJSA-N 1 3 341.499 2.785 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001370488685 1340100036 /nfs/dbraw/zinc/10/00/36/1340100036.db2.gz KSOLWVJWVIXYDN-GUDVDZBRSA-N 1 3 331.504 2.716 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001370523790 1340114621 /nfs/dbraw/zinc/11/46/21/1340114621.db2.gz UZWQTYQMPCZPGO-DSLXNQLJSA-N 1 3 331.504 2.879 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001370523792 1340114906 /nfs/dbraw/zinc/11/49/06/1340114906.db2.gz UZWQTYQMPCZPGO-NXWXRZEISA-N 1 3 331.504 2.879 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2Cl)C1)N(C)C ZINC001370550717 1340129844 /nfs/dbraw/zinc/12/98/44/1340129844.db2.gz ZSDBQCTXWASISW-VMUDFCTBSA-N 1 3 337.895 2.978 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC001370779647 1340205981 /nfs/dbraw/zinc/20/59/81/1340205981.db2.gz IOIZUHLZFMFCND-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001370779647 1340205983 /nfs/dbraw/zinc/20/59/83/1340205983.db2.gz IOIZUHLZFMFCND-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370786688 1340210456 /nfs/dbraw/zinc/21/04/56/1340210456.db2.gz UJFXLMZZVHUNBL-ZWKOTPCHSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370786688 1340210460 /nfs/dbraw/zinc/21/04/60/1340210460.db2.gz UJFXLMZZVHUNBL-ZWKOTPCHSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919406 1340284714 /nfs/dbraw/zinc/28/47/14/1340284714.db2.gz ZDOARLCHNBMFEM-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919406 1340284717 /nfs/dbraw/zinc/28/47/17/1340284717.db2.gz ZDOARLCHNBMFEM-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001371215563 1340423418 /nfs/dbraw/zinc/42/34/18/1340423418.db2.gz YOLKGAURSWQPRC-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001371360987 1340528190 /nfs/dbraw/zinc/52/81/90/1340528190.db2.gz FLXNHSLUNCPEOZ-RDTXWAMCSA-N 1 3 349.494 2.885 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001371428662 1340583536 /nfs/dbraw/zinc/58/35/36/1340583536.db2.gz MZAJEWRSBWGGGI-MLGOLLRUSA-N 1 3 325.522 2.545 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001371433489 1340587754 /nfs/dbraw/zinc/58/77/54/1340587754.db2.gz VAFIIKBLRLEXST-RHSMWYFYSA-N 1 3 339.911 2.563 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001371433985 1340588476 /nfs/dbraw/zinc/58/84/76/1340588476.db2.gz WKFKJURDKWPFAF-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001371546302 1340638244 /nfs/dbraw/zinc/63/82/44/1340638244.db2.gz VTMHCVLLCPOIJL-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001371546302 1340638247 /nfs/dbraw/zinc/63/82/47/1340638247.db2.gz VTMHCVLLCPOIJL-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001371627748 1340683853 /nfs/dbraw/zinc/68/38/53/1340683853.db2.gz XTJITMPWIKPCJU-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO C[N@H+](CCCF)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001371668537 1340687469 /nfs/dbraw/zinc/68/74/69/1340687469.db2.gz VRQAFHFHBCEUSX-INIZCTEOSA-N 1 3 327.488 2.533 20 0 EFADHO C[N@@H+](CCCF)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001371668537 1340687475 /nfs/dbraw/zinc/68/74/75/1340687475.db2.gz VRQAFHFHBCEUSX-INIZCTEOSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001371824927 1340703759 /nfs/dbraw/zinc/70/37/59/1340703759.db2.gz HGYREFRJOLPOMO-SWLSCSKDSA-N 1 3 345.940 2.972 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001371869945 1340731417 /nfs/dbraw/zinc/73/14/17/1340731417.db2.gz QAXMECOQAKWKOB-OXQOHEQNSA-N 1 3 345.531 2.746 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001371870754 1340732457 /nfs/dbraw/zinc/73/24/57/1340732457.db2.gz WFKINSDMBCGRDW-DOMZBBRYSA-N 1 3 343.874 2.804 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001371995989 1340743629 /nfs/dbraw/zinc/74/36/29/1340743629.db2.gz OYTSDLGTHRPDGK-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001371995989 1340743632 /nfs/dbraw/zinc/74/36/32/1340743632.db2.gz OYTSDLGTHRPDGK-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1cccc(F)c1 ZINC001372365796 1340771942 /nfs/dbraw/zinc/77/19/42/1340771942.db2.gz VKOTUXDEHXMAFB-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1cccc(F)c1 ZINC001372365796 1340771944 /nfs/dbraw/zinc/77/19/44/1340771944.db2.gz VKOTUXDEHXMAFB-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001372813960 1340813738 /nfs/dbraw/zinc/81/37/38/1340813738.db2.gz HQMAUGWEXHWCRL-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001372813960 1340813744 /nfs/dbraw/zinc/81/37/44/1340813744.db2.gz HQMAUGWEXHWCRL-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372840516 1340832732 /nfs/dbraw/zinc/83/27/32/1340832732.db2.gz IIMOQQGDIVIYNE-RDTXWAMCSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372840516 1340832737 /nfs/dbraw/zinc/83/27/37/1340832737.db2.gz IIMOQQGDIVIYNE-RDTXWAMCSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H](C(=O)NCC1CN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001373538811 1341047970 /nfs/dbraw/zinc/04/79/70/1341047970.db2.gz UTRDVZNAJRDCLJ-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373545285 1341050182 /nfs/dbraw/zinc/05/01/82/1341050182.db2.gz HPIKJTXQQKXASE-RBUKOAKNSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CC[NH+]3CCCCC3)C2)cc1C ZINC001373561551 1341054455 /nfs/dbraw/zinc/05/44/55/1341054455.db2.gz UILCTJSNQBQEEJ-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001373681004 1341097888 /nfs/dbraw/zinc/09/78/88/1341097888.db2.gz QOQFJKACMKKIFC-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001373757293 1341136617 /nfs/dbraw/zinc/13/66/17/1341136617.db2.gz FZWOMEAYIHZCEH-XSZJWBAASA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001373796436 1341151660 /nfs/dbraw/zinc/15/16/60/1341151660.db2.gz MVWMCKCSVCOFOA-MSOLQXFVSA-N 1 3 337.483 2.705 20 0 EFADHO CN(CC(=O)N[C@](C)(C[NH2+]Cc1ccccc1F)C1CC1)C1CCC1 ZINC001373875444 1341184016 /nfs/dbraw/zinc/18/40/16/1341184016.db2.gz CMTIYNQNPFKRIU-HXUWFJFHSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]Cc2cccnc2)CCCC[C@H]1C ZINC001373897557 1341194435 /nfs/dbraw/zinc/19/44/35/1341194435.db2.gz DRSDDANWTNOZPE-XLIONFOSSA-N 1 3 346.519 2.578 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1)N(C)C ZINC001373916488 1341202140 /nfs/dbraw/zinc/20/21/40/1341202140.db2.gz ZOFKGFMOTGTNJO-BFYDXBDKSA-N 1 3 337.533 2.648 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001373936203 1341219802 /nfs/dbraw/zinc/21/98/02/1341219802.db2.gz VJTLQCOJHJXGCJ-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@H](C(=O)NCCC1CC[NH+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001373951297 1341243828 /nfs/dbraw/zinc/24/38/28/1341243828.db2.gz XPIFSKYRENIYNL-MRXNPFEDSA-N 1 3 345.478 2.590 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001374014514 1341303761 /nfs/dbraw/zinc/30/37/61/1341303761.db2.gz OZXSTANMFAODMF-FXAWDEMLSA-N 1 3 345.531 2.964 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001374014522 1341303930 /nfs/dbraw/zinc/30/39/30/1341303930.db2.gz OZXSTANMFAODMF-YLJYHZDGSA-N 1 3 345.531 2.964 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1ccc(F)cc1 ZINC001374083140 1341378754 /nfs/dbraw/zinc/37/87/54/1341378754.db2.gz YWHCYGKUEXPVOX-HNNXBMFYSA-N 1 3 337.483 2.646 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CC3CCC3)C2)CC1)CC(C)(C)C ZINC001374188076 1341531362 /nfs/dbraw/zinc/53/13/62/1341531362.db2.gz WPLHWGQTTNEFIP-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CCc3cccs3)C2)CC1 ZINC001374190808 1341536184 /nfs/dbraw/zinc/53/61/84/1341536184.db2.gz NUVBLZRXKPMGJH-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001374232356 1341584601 /nfs/dbraw/zinc/58/46/01/1341584601.db2.gz JDJJTWSWSATNMM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374239542 1341595325 /nfs/dbraw/zinc/59/53/25/1341595325.db2.gz BLMNKGABNYBGSH-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001374276657 1341648098 /nfs/dbraw/zinc/64/80/98/1341648098.db2.gz AAMKOJGXPIDPCD-OAHLLOKOSA-N 1 3 337.483 2.740 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001374280322 1341651663 /nfs/dbraw/zinc/65/16/63/1341651663.db2.gz MDXPSFZFQDCQLI-PBHICJAKSA-N 1 3 331.460 2.710 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001392233051 1355888895 /nfs/dbraw/zinc/88/88/95/1355888895.db2.gz MIBOYFNBNNXCTO-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC=C(Cl)Cl ZINC001374423174 1341904360 /nfs/dbraw/zinc/90/43/60/1341904360.db2.gz FNCRTVXZLJXRGE-OCCSQVGLSA-N 1 3 338.323 2.622 20 0 EFADHO CCc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001374425109 1341906492 /nfs/dbraw/zinc/90/64/92/1341906492.db2.gz KPZFNEBBBFKETO-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001374499135 1341983956 /nfs/dbraw/zinc/98/39/56/1341983956.db2.gz LHZCFCNHJPXPTM-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)cc1 ZINC001374499135 1341983958 /nfs/dbraw/zinc/98/39/58/1341983958.db2.gz LHZCFCNHJPXPTM-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001374546203 1342052097 /nfs/dbraw/zinc/05/20/97/1342052097.db2.gz GXYQKNIXFUDWNG-UHFFFAOYSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001374546203 1342052099 /nfs/dbraw/zinc/05/20/99/1342052099.db2.gz GXYQKNIXFUDWNG-UHFFFAOYSA-N 1 3 345.531 2.660 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001374772598 1342162335 /nfs/dbraw/zinc/16/23/35/1342162335.db2.gz SKLFUDDWMUPGOS-OAHLLOKOSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001374834592 1342198351 /nfs/dbraw/zinc/19/83/51/1342198351.db2.gz UVFKMZRSRFBHNN-WBVHZDCISA-N 1 3 325.541 2.883 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001393119183 1356618189 /nfs/dbraw/zinc/61/81/89/1356618189.db2.gz GSPHVHAODLIKGZ-QUCCMNQESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001393119183 1356618196 /nfs/dbraw/zinc/61/81/96/1356618196.db2.gz GSPHVHAODLIKGZ-QUCCMNQESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001375129998 1342442254 /nfs/dbraw/zinc/44/22/54/1342442254.db2.gz XDSVCFSCACBUMG-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1 ZINC001375129998 1342442256 /nfs/dbraw/zinc/44/22/56/1342442256.db2.gz XDSVCFSCACBUMG-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC(F)(F)CC1 ZINC001375152613 1342467748 /nfs/dbraw/zinc/46/77/48/1342467748.db2.gz YPHSEGBWVUJWBB-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001375152613 1342467751 /nfs/dbraw/zinc/46/77/51/1342467751.db2.gz YPHSEGBWVUJWBB-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001375173538 1342489370 /nfs/dbraw/zinc/48/93/70/1342489370.db2.gz DEWVRASQWZFNAH-UYAOXDASSA-N 1 3 343.515 2.936 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC001375227479 1342530499 /nfs/dbraw/zinc/53/04/99/1342530499.db2.gz DCMONUVITCKXFC-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc2ccccc2o1)C1CC1)N(C)C ZINC001375258318 1342562110 /nfs/dbraw/zinc/56/21/10/1342562110.db2.gz OFZWIORTNVJDRX-MSOLQXFVSA-N 1 3 343.471 2.757 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001375412024 1342715085 /nfs/dbraw/zinc/71/50/85/1342715085.db2.gz PLANFESRIQBLPQ-RVKKMQEKSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(CNC2(CNC(=O)CC3CC[NH+](C)CC3)CC2)c(C)s1 ZINC001375492148 1342798679 /nfs/dbraw/zinc/79/86/79/1342798679.db2.gz AVGMDTWFTCMYHI-UHFFFAOYSA-N 1 3 349.544 2.835 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001375495626 1342802612 /nfs/dbraw/zinc/80/26/12/1342802612.db2.gz OPPNGRFAUQOCPV-WOVMCDHWSA-N 1 3 349.906 2.809 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001375513645 1342821824 /nfs/dbraw/zinc/82/18/24/1342821824.db2.gz QFYQKIOPPRHULO-HLIPFELVSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1)N1CCCCCC1 ZINC001375541283 1342853768 /nfs/dbraw/zinc/85/37/68/1342853768.db2.gz DVSHUHMAUBLRBV-CQSZACIVSA-N 1 3 343.462 2.535 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001375551085 1342865174 /nfs/dbraw/zinc/86/51/74/1342865174.db2.gz UBBZLYGQZLSIOA-YWTNHNAXSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001375552320 1342866468 /nfs/dbraw/zinc/86/64/68/1342866468.db2.gz XPSYNZNEHSQLPZ-RCJHGTSTSA-N 1 3 347.478 2.713 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2cccc(C)c2)CC1 ZINC001375781272 1343003025 /nfs/dbraw/zinc/00/30/25/1343003025.db2.gz RHFVENYLHQIERS-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2csc(C)c2)CC1)N(C)C ZINC001375781353 1343004624 /nfs/dbraw/zinc/00/46/24/1343004624.db2.gz SIQGZJOHWTYXJA-MRXNPFEDSA-N 1 3 337.533 2.867 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CCCC1)N(C)C ZINC001375795701 1343024216 /nfs/dbraw/zinc/02/42/16/1343024216.db2.gz IDZKHYQUXNZQQU-OALUTQOASA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001375894156 1343141316 /nfs/dbraw/zinc/14/13/16/1343141316.db2.gz YFJNWACVOPPASR-FPOVZHCZSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375947410 1343199245 /nfs/dbraw/zinc/19/92/45/1343199245.db2.gz DLMIMVDEWCNPLX-LJQANCHMSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[N@H+]1CCC[C@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375947410 1343199247 /nfs/dbraw/zinc/19/92/47/1343199247.db2.gz DLMIMVDEWCNPLX-LJQANCHMSA-N 1 3 325.541 2.839 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376059134 1343292776 /nfs/dbraw/zinc/29/27/76/1343292776.db2.gz MQWGMSWVNZEZDS-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C1CC1)CC(C)(C)C ZINC001376255380 1343431921 /nfs/dbraw/zinc/43/19/21/1343431921.db2.gz NQHJLWAINRYKAD-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001376278587 1343448922 /nfs/dbraw/zinc/44/89/22/1343448922.db2.gz BKTUUJVKVINURM-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001376278587 1343448924 /nfs/dbraw/zinc/44/89/24/1343448924.db2.gz BKTUUJVKVINURM-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328424 1343487214 /nfs/dbraw/zinc/48/72/14/1343487214.db2.gz HPRMPYZNVSRIPC-CVEARBPZSA-N 1 3 349.544 2.602 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001376396668 1343551554 /nfs/dbraw/zinc/55/15/54/1343551554.db2.gz KPKMSXOJVJRIQX-QAQDUYKDSA-N 1 3 335.467 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1 ZINC001376404467 1343560027 /nfs/dbraw/zinc/56/00/27/1343560027.db2.gz VCYQJWBTQJCZKQ-IYARVYRRSA-N 1 3 346.519 2.592 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC(C)(C)C)C[C@@H]3C2)C1 ZINC001376419698 1343574189 /nfs/dbraw/zinc/57/41/89/1343574189.db2.gz USSFDMXVCGCCQS-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC(C)(C)C)C[C@@H]3C2)C1 ZINC001376419698 1343574191 /nfs/dbraw/zinc/57/41/91/1343574191.db2.gz USSFDMXVCGCCQS-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001376527953 1343653376 /nfs/dbraw/zinc/65/33/76/1343653376.db2.gz HYJBHGXWQQBSTA-HNNXBMFYSA-N 1 3 349.441 2.643 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001376546335 1343668729 /nfs/dbraw/zinc/66/87/29/1343668729.db2.gz YBCCSWXRWHZAKC-LJQANCHMSA-N 1 3 345.531 2.993 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001376546335 1343668731 /nfs/dbraw/zinc/66/87/31/1343668731.db2.gz YBCCSWXRWHZAKC-LJQANCHMSA-N 1 3 345.531 2.993 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001376599985 1343713356 /nfs/dbraw/zinc/71/33/56/1343713356.db2.gz FEDHUIWTSOKZJF-ZWKOTPCHSA-N 1 3 325.541 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620899 1343728192 /nfs/dbraw/zinc/72/81/92/1343728192.db2.gz JMUHPBBHVNCJLA-IAGOWNOFSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620899 1343728195 /nfs/dbraw/zinc/72/81/95/1343728195.db2.gz JMUHPBBHVNCJLA-IAGOWNOFSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620919 1343728314 /nfs/dbraw/zinc/72/83/14/1343728314.db2.gz JMUHPBBHVNCJLA-SJORKVTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620919 1343728316 /nfs/dbraw/zinc/72/83/16/1343728316.db2.gz JMUHPBBHVNCJLA-SJORKVTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625575 1343732517 /nfs/dbraw/zinc/73/25/17/1343732517.db2.gz NUMPVQNBCHNCJD-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625575 1343732520 /nfs/dbraw/zinc/73/25/20/1343732520.db2.gz NUMPVQNBCHNCJD-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCc2ccccc2)[C@H](C)C1 ZINC001393786019 1357153882 /nfs/dbraw/zinc/15/38/82/1357153882.db2.gz ILGPQPYADPBPAZ-QUCCMNQESA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCc2ccccc2)[C@H](C)C1 ZINC001393786019 1357153885 /nfs/dbraw/zinc/15/38/85/1357153885.db2.gz ILGPQPYADPBPAZ-QUCCMNQESA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001394385599 1357758007 /nfs/dbraw/zinc/75/80/07/1357758007.db2.gz FFBOWXUCUYFZCS-DXWDOBMASA-N 1 3 327.900 2.535 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001394385599 1357758010 /nfs/dbraw/zinc/75/80/10/1357758010.db2.gz FFBOWXUCUYFZCS-DXWDOBMASA-N 1 3 327.900 2.535 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001393786978 1357156286 /nfs/dbraw/zinc/15/62/86/1357156286.db2.gz LJWZAFGSVAKSFH-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001393786978 1357156287 /nfs/dbraw/zinc/15/62/87/1357156287.db2.gz LJWZAFGSVAKSFH-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001376915537 1343953286 /nfs/dbraw/zinc/95/32/86/1343953286.db2.gz WQHXLXOLLIHODL-GEZBDVBVSA-N 1 3 327.900 2.586 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001376919728 1343957009 /nfs/dbraw/zinc/95/70/09/1343957009.db2.gz XPDAAJBWVYFBCX-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001376919728 1343957011 /nfs/dbraw/zinc/95/70/11/1343957011.db2.gz XPDAAJBWVYFBCX-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccccc2C)C1 ZINC001376946264 1343976320 /nfs/dbraw/zinc/97/63/20/1343976320.db2.gz BBKYAUKUUIGMBC-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001376986191 1344021725 /nfs/dbraw/zinc/02/17/25/1344021725.db2.gz DSSAPOHSACMNAR-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001376986191 1344021731 /nfs/dbraw/zinc/02/17/31/1344021731.db2.gz DSSAPOHSACMNAR-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001377038383 1344084153 /nfs/dbraw/zinc/08/41/53/1344084153.db2.gz YHZRMRHICXOPCS-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001377152889 1344141559 /nfs/dbraw/zinc/14/15/59/1344141559.db2.gz ZGZKAGJHBARHPN-GOSISDBHSA-N 1 3 335.467 2.577 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001377152889 1344141563 /nfs/dbraw/zinc/14/15/63/1344141563.db2.gz ZGZKAGJHBARHPN-GOSISDBHSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001377188236 1344143734 /nfs/dbraw/zinc/14/37/34/1344143734.db2.gz FWVVQXMLHOXMCT-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001377188236 1344143736 /nfs/dbraw/zinc/14/37/36/1344143736.db2.gz FWVVQXMLHOXMCT-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001377419579 1344161059 /nfs/dbraw/zinc/16/10/59/1344161059.db2.gz UZDORIHCCRJIFU-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1[C@H](C)c1ccc(F)cc1 ZINC001377419579 1344161062 /nfs/dbraw/zinc/16/10/62/1344161062.db2.gz UZDORIHCCRJIFU-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[N@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377659886 1344280958 /nfs/dbraw/zinc/28/09/58/1344280958.db2.gz GVCXLBUXBYFSFA-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCCC1CCCC1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377659886 1344280962 /nfs/dbraw/zinc/28/09/62/1344280962.db2.gz GVCXLBUXBYFSFA-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001377669780 1344296545 /nfs/dbraw/zinc/29/65/45/1344296545.db2.gz CKLVQUPNSOKTDT-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001377702693 1344343390 /nfs/dbraw/zinc/34/33/90/1344343390.db2.gz VONVDUVMVJNFSE-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001377702693 1344343396 /nfs/dbraw/zinc/34/33/96/1344343396.db2.gz VONVDUVMVJNFSE-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001377704647 1344346492 /nfs/dbraw/zinc/34/64/92/1344346492.db2.gz WAHQQIVSGYPNKG-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001377704647 1344346498 /nfs/dbraw/zinc/34/64/98/1344346498.db2.gz WAHQQIVSGYPNKG-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001377707892 1344351295 /nfs/dbraw/zinc/35/12/95/1344351295.db2.gz XSXQUFJJBBHALZ-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001377707892 1344351298 /nfs/dbraw/zinc/35/12/98/1344351298.db2.gz XSXQUFJJBBHALZ-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001377727065 1344376341 /nfs/dbraw/zinc/37/63/41/1344376341.db2.gz YRGKPZYKDTWKFR-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001377727065 1344376346 /nfs/dbraw/zinc/37/63/46/1344376346.db2.gz YRGKPZYKDTWKFR-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001393829117 1357192045 /nfs/dbraw/zinc/19/20/45/1357192045.db2.gz QGHNIFNOBRSCHO-YOEHRIQHSA-N 1 3 328.460 2.896 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001377975092 1344629584 /nfs/dbraw/zinc/62/95/84/1344629584.db2.gz MFQOPEKFTPSUPW-LPHOPBHVSA-N 1 3 331.504 2.690 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001377975982 1344630543 /nfs/dbraw/zinc/63/05/43/1344630543.db2.gz VALOIEVXJISPGR-LJQANCHMSA-N 1 3 349.494 2.531 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001393834764 1357197863 /nfs/dbraw/zinc/19/78/63/1357197863.db2.gz CXWBHEKNXPWQNO-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001378064220 1344717090 /nfs/dbraw/zinc/71/70/90/1344717090.db2.gz NISIBTNSRRZLBP-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001378064220 1344717093 /nfs/dbraw/zinc/71/70/93/1344717093.db2.gz NISIBTNSRRZLBP-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001378083469 1344740518 /nfs/dbraw/zinc/74/05/18/1344740518.db2.gz OLNYYAHOXRIJET-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001378182276 1344855107 /nfs/dbraw/zinc/85/51/07/1344855107.db2.gz YOQZHQWVNCGMGL-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001378182276 1344855103 /nfs/dbraw/zinc/85/51/03/1344855103.db2.gz YOQZHQWVNCGMGL-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378184084 1344858090 /nfs/dbraw/zinc/85/80/90/1344858090.db2.gz MTPBJHPINNFSND-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378184084 1344858095 /nfs/dbraw/zinc/85/80/95/1344858095.db2.gz MTPBJHPINNFSND-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001378197598 1344873917 /nfs/dbraw/zinc/87/39/17/1344873917.db2.gz YAWLPNKOINIHHE-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001378197598 1344873921 /nfs/dbraw/zinc/87/39/21/1344873921.db2.gz YAWLPNKOINIHHE-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001378256193 1344935078 /nfs/dbraw/zinc/93/50/78/1344935078.db2.gz RFIODNWNLIZWPU-GFCCVEGCSA-N 1 3 343.924 2.870 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001378307350 1344974265 /nfs/dbraw/zinc/97/42/65/1344974265.db2.gz YRLBVOPJJRXVNW-RBUKOAKNSA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001393859985 1357219043 /nfs/dbraw/zinc/21/90/43/1357219043.db2.gz FUHADZIVXDLMFP-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001378441292 1345078752 /nfs/dbraw/zinc/07/87/52/1345078752.db2.gz SPGVOEDEEWTCSK-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378548003 1345154850 /nfs/dbraw/zinc/15/48/50/1345154850.db2.gz KAJQOOUXDBJUBT-CRAIPNDOSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001378558134 1345161811 /nfs/dbraw/zinc/16/18/11/1345161811.db2.gz MNPJFFTZBAOTKA-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378564906 1345167193 /nfs/dbraw/zinc/16/71/93/1345167193.db2.gz NGZFLOLCKLDYQV-YJBOKZPZSA-N 1 3 335.467 2.542 20 0 EFADHO Cc1ccc(CC[NH+]2CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001378567622 1345169056 /nfs/dbraw/zinc/16/90/56/1345169056.db2.gz YJVKLHXEUAWUKQ-FXAWDEMLSA-N 1 3 345.531 2.560 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001378582725 1345178940 /nfs/dbraw/zinc/17/89/40/1345178940.db2.gz VAOYOPWVVXYMTK-XJKSGUPXSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001378614602 1345199283 /nfs/dbraw/zinc/19/92/83/1345199283.db2.gz NTKDRDVCXFNLAS-PKOBYXMFSA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001378616790 1345200528 /nfs/dbraw/zinc/20/05/28/1345200528.db2.gz SBFLWQUXADIMLC-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCc2cccs2)CCCC1)C1CCC1 ZINC001378692732 1345253646 /nfs/dbraw/zinc/25/36/46/1345253646.db2.gz LOCFDEZERFSFKO-UHFFFAOYSA-N 1 3 349.544 2.794 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccccc3F)CCCC2)C1 ZINC001378706717 1345262354 /nfs/dbraw/zinc/26/23/54/1345262354.db2.gz AYIPMXSBRPYUQA-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCC1 ZINC001378714445 1345269550 /nfs/dbraw/zinc/26/95/50/1345269550.db2.gz IILXTDQXDQZDDO-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO C[C@@H](CNCc1cccc(Cl)c1F)N(C)C(=O)CCC[NH+](C)C ZINC001378812405 1345332500 /nfs/dbraw/zinc/33/25/00/1345332500.db2.gz OBUFLJNGYJCVNS-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001378836203 1345350335 /nfs/dbraw/zinc/35/03/35/1345350335.db2.gz XPEQKYBTCFQSBS-LRDDRELGSA-N 1 3 343.874 2.756 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001378842728 1345355555 /nfs/dbraw/zinc/35/55/55/1345355555.db2.gz MOHXEKFPHLMMIO-CRAIPNDOSA-N 1 3 337.483 2.679 20 0 EFADHO Cc1cccnc1CNC[C@H](C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001378852793 1345364775 /nfs/dbraw/zinc/36/47/75/1345364775.db2.gz JIZGETDWBUCRPH-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC001378895654 1345404448 /nfs/dbraw/zinc/40/44/48/1345404448.db2.gz JJCIOEIBCRPVKV-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001378897753 1345407024 /nfs/dbraw/zinc/40/70/24/1345407024.db2.gz MAWSMQGVUOTNGO-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+](CC)CC ZINC001378901986 1345410823 /nfs/dbraw/zinc/41/08/23/1345410823.db2.gz GROVYJYINGBAIS-CLOOOTJHSA-N 1 3 329.916 2.782 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC001378925562 1345431024 /nfs/dbraw/zinc/43/10/24/1345431024.db2.gz XCXBQUZIXMLNMY-XWJOTYRJSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccccc1F ZINC001378977501 1345474429 /nfs/dbraw/zinc/47/44/29/1345474429.db2.gz PDMGKNDBUKADHB-SFHVURJKSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001379031584 1345512221 /nfs/dbraw/zinc/51/22/21/1345512221.db2.gz NCWUCZRFDQOOTF-DNVCBOLYSA-N 1 3 340.471 2.848 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001379054095 1345534686 /nfs/dbraw/zinc/53/46/86/1345534686.db2.gz VBCWXVPTUQILOE-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001379054095 1345534690 /nfs/dbraw/zinc/53/46/90/1345534690.db2.gz VBCWXVPTUQILOE-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO CN(CC[N@H+](C)Cc1ccccc1C1CC1)C(=O)[C@H]1CCCN1C ZINC001379084900 1345562069 /nfs/dbraw/zinc/56/20/69/1345562069.db2.gz ORRJPJOKMZZBBH-LJQANCHMSA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)[C@H]1CCCN1C ZINC001379084900 1345562073 /nfs/dbraw/zinc/56/20/73/1345562073.db2.gz ORRJPJOKMZZBBH-LJQANCHMSA-N 1 3 329.488 2.548 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379099382 1345575822 /nfs/dbraw/zinc/57/58/22/1345575822.db2.gz DOHMCFOGEAMHAW-HNAYVOBHSA-N 1 3 346.519 2.544 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001379103219 1345580438 /nfs/dbraw/zinc/58/04/38/1345580438.db2.gz VUXHRBOQENHXGG-CRAIPNDOSA-N 1 3 337.483 2.863 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001379103227 1345581049 /nfs/dbraw/zinc/58/10/49/1345581049.db2.gz VUXHRBOQENHXGG-MAUKXSAKSA-N 1 3 337.483 2.863 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C2(N(C)C)CCC2)cs1 ZINC001379157788 1345631911 /nfs/dbraw/zinc/63/19/11/1345631911.db2.gz SBSSGBZKEZELPB-IAGOWNOFSA-N 1 3 349.544 2.915 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001379419784 1345775283 /nfs/dbraw/zinc/77/52/83/1345775283.db2.gz QIXNHMOGDKRBJD-NIKGAXFTSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001379448356 1345789536 /nfs/dbraw/zinc/78/95/36/1345789536.db2.gz WIURJZBCNOBZFU-OAHLLOKOSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)NC(=O)C1(N(C)C)CCC1 ZINC001379518124 1345823347 /nfs/dbraw/zinc/82/33/47/1345823347.db2.gz ZLDNFSQMWBQRKG-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H](NC/C(Cl)=C/Cl)C1 ZINC001418377291 1373954945 /nfs/dbraw/zinc/95/49/45/1373954945.db2.gz ROOAMWIFWFUHIM-WXLZEUHASA-N 1 3 336.307 2.664 20 0 EFADHO C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001379668632 1347244215 /nfs/dbraw/zinc/24/42/15/1347244215.db2.gz LWLIQIFFTIVSOV-GOSISDBHSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001379668632 1347244218 /nfs/dbraw/zinc/24/42/18/1347244218.db2.gz LWLIQIFFTIVSOV-GOSISDBHSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001379789523 1347337846 /nfs/dbraw/zinc/33/78/46/1347337846.db2.gz JDTKPHRGGIXXTE-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)c1 ZINC001380081882 1347506998 /nfs/dbraw/zinc/50/69/98/1347506998.db2.gz GKHYUCNUEKNIOJ-LJQANCHMSA-N 1 3 343.515 2.915 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001380176649 1347550475 /nfs/dbraw/zinc/55/04/75/1347550475.db2.gz NFYBTFFTVGLFQX-OFLPRAFFSA-N 1 3 337.533 2.722 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C[C@@H]1C ZINC001380268973 1347563007 /nfs/dbraw/zinc/56/30/07/1347563007.db2.gz OAAOPSHHCJXPTQ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001380482197 1347711835 /nfs/dbraw/zinc/71/18/35/1347711835.db2.gz KKASNWFNGXEJIW-QGZVFWFLSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001380482197 1347711837 /nfs/dbraw/zinc/71/18/37/1347711837.db2.gz KKASNWFNGXEJIW-QGZVFWFLSA-N 1 3 345.478 2.592 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380660132 1347795571 /nfs/dbraw/zinc/79/55/71/1347795571.db2.gz GBSWDRDKPUMRQQ-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CCC1)N(C)C ZINC001380895438 1347942586 /nfs/dbraw/zinc/94/25/86/1347942586.db2.gz OAJLSLNTJAKLCV-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380939147 1347971287 /nfs/dbraw/zinc/97/12/87/1347971287.db2.gz NSYDYJLUGNZKDJ-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380939147 1347971288 /nfs/dbraw/zinc/97/12/88/1347971288.db2.gz NSYDYJLUGNZKDJ-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2F)CC1)N(C)C ZINC001380940191 1347972171 /nfs/dbraw/zinc/97/21/71/1347972171.db2.gz RSUUHNRGUXGMNN-MJGOQNOKSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2F)CC1)N(C)C ZINC001380940191 1347972174 /nfs/dbraw/zinc/97/21/74/1347972174.db2.gz RSUUHNRGUXGMNN-MJGOQNOKSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001380949135 1347978410 /nfs/dbraw/zinc/97/84/10/1347978410.db2.gz MDVAHAXLCLPYPY-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001380949135 1347978414 /nfs/dbraw/zinc/97/84/14/1347978414.db2.gz MDVAHAXLCLPYPY-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001380971634 1347995319 /nfs/dbraw/zinc/99/53/19/1347995319.db2.gz LCCNVMGSFDOYNU-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001380971634 1347995322 /nfs/dbraw/zinc/99/53/22/1347995322.db2.gz LCCNVMGSFDOYNU-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001380989748 1348008863 /nfs/dbraw/zinc/00/88/63/1348008863.db2.gz QLZCNEZQKTWRFP-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001380989748 1348008866 /nfs/dbraw/zinc/00/88/66/1348008866.db2.gz QLZCNEZQKTWRFP-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccccc1 ZINC001381101108 1348076369 /nfs/dbraw/zinc/07/63/69/1348076369.db2.gz IFJOCMNGMXQFBV-FUHWJXTLSA-N 1 3 331.504 2.601 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C/C=C\Cl)C2)C1 ZINC001381315167 1348206860 /nfs/dbraw/zinc/20/68/60/1348206860.db2.gz SAWVEVXRMDADDP-YZNPXCOXSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001381315167 1348206862 /nfs/dbraw/zinc/20/68/62/1348206862.db2.gz SAWVEVXRMDADDP-YZNPXCOXSA-N 1 3 341.927 2.641 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001381468807 1348295231 /nfs/dbraw/zinc/29/52/31/1348295231.db2.gz LVWMBXCRPQQSTA-QGZVFWFLSA-N 1 3 337.483 2.740 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc(CF)cc1 ZINC001381526588 1348330593 /nfs/dbraw/zinc/33/05/93/1348330593.db2.gz AYFIEUCNAIAXHC-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001381526588 1348330597 /nfs/dbraw/zinc/33/05/97/1348330597.db2.gz AYFIEUCNAIAXHC-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001381628445 1348415402 /nfs/dbraw/zinc/41/54/02/1348415402.db2.gz OJWUVGHOKPXJBF-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001381628445 1348415403 /nfs/dbraw/zinc/41/54/03/1348415403.db2.gz OJWUVGHOKPXJBF-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001381806533 1348539384 /nfs/dbraw/zinc/53/93/84/1348539384.db2.gz GXAVQKCBDPQODX-SJORKVTESA-N 1 3 331.504 2.834 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001381806533 1348539386 /nfs/dbraw/zinc/53/93/86/1348539386.db2.gz GXAVQKCBDPQODX-SJORKVTESA-N 1 3 331.504 2.834 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001381811470 1348543423 /nfs/dbraw/zinc/54/34/23/1348543423.db2.gz ZUHZLKVCALDEFW-APWZRJJASA-N 1 3 331.504 2.916 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001381819449 1348549358 /nfs/dbraw/zinc/54/93/58/1348549358.db2.gz GLTKLWWBORZJJQ-QFBILLFUSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001382098224 1348718063 /nfs/dbraw/zinc/71/80/63/1348718063.db2.gz ZZSAHJKCYDZIDH-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001382307040 1348857969 /nfs/dbraw/zinc/85/79/69/1348857969.db2.gz BWESOHBNNZCZJU-PRQNKSSRSA-N 1 3 349.906 2.736 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1C ZINC001382320271 1348868156 /nfs/dbraw/zinc/86/81/56/1348868156.db2.gz XDKPMUHOYLYGEK-STQMWFEESA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001382320793 1348868327 /nfs/dbraw/zinc/86/83/27/1348868327.db2.gz YMVVDWYHTIKWFG-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1F ZINC001382579733 1349031473 /nfs/dbraw/zinc/03/14/73/1349031473.db2.gz CMLXLHXITZCQDF-FAFZWHIHSA-N 1 3 349.494 2.799 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001382591918 1349039935 /nfs/dbraw/zinc/03/99/35/1349039935.db2.gz WVORJZPXAYBRCJ-JCYILVPMSA-N 1 3 337.895 2.759 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001394098675 1357467599 /nfs/dbraw/zinc/46/75/99/1357467599.db2.gz ARVONBNMHVDKSN-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394112417 1357484521 /nfs/dbraw/zinc/48/45/21/1357484521.db2.gz MSHBFIBROKEWHX-INIZCTEOSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001394126314 1357502478 /nfs/dbraw/zinc/50/24/78/1357502478.db2.gz NYALEMLNGDTSHP-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001394126314 1357502481 /nfs/dbraw/zinc/50/24/81/1357502481.db2.gz NYALEMLNGDTSHP-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001420364038 1376811921 /nfs/dbraw/zinc/81/19/21/1376811921.db2.gz ADSFTZUZYJQBMY-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001394230644 1357620786 /nfs/dbraw/zinc/62/07/86/1357620786.db2.gz SMMUGIIUNVKIST-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001388651992 1352892768 /nfs/dbraw/zinc/89/27/68/1352892768.db2.gz GZABIATWJZQDFC-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001388651992 1352892775 /nfs/dbraw/zinc/89/27/75/1352892775.db2.gz GZABIATWJZQDFC-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001388684116 1352918402 /nfs/dbraw/zinc/91/84/02/1352918402.db2.gz CAZMWXZAQHQPRN-AYOQOUSVSA-N 1 3 349.494 2.705 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001388718662 1352946986 /nfs/dbraw/zinc/94/69/86/1352946986.db2.gz FKDFUSRITGNQRB-KOQZAGCLSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001388736175 1352963068 /nfs/dbraw/zinc/96/30/68/1352963068.db2.gz RCXSRMSKKOYZQT-JYJNAYRXSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001389341917 1353317483 /nfs/dbraw/zinc/31/74/83/1353317483.db2.gz IBLVQIWNPUCWBT-YOEHRIQHSA-N 1 3 346.500 2.616 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001389402786 1353370253 /nfs/dbraw/zinc/37/02/53/1353370253.db2.gz RSGYKULRCWWCRV-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001389402786 1353370258 /nfs/dbraw/zinc/37/02/58/1353370258.db2.gz RSGYKULRCWWCRV-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001389684498 1353553480 /nfs/dbraw/zinc/55/34/80/1353553480.db2.gz FSKMIPADBPQWJS-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1Cl)C1CC1)N(C)C ZINC001389699233 1353564299 /nfs/dbraw/zinc/56/42/99/1353564299.db2.gz UQYQXXBEKRFQCK-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001389740993 1353593387 /nfs/dbraw/zinc/59/33/87/1353593387.db2.gz KMUHVQMDZBTJRX-SFHVURJKSA-N 1 3 331.504 2.942 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001389740993 1353593391 /nfs/dbraw/zinc/59/33/91/1353593391.db2.gz KMUHVQMDZBTJRX-SFHVURJKSA-N 1 3 331.504 2.942 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1 ZINC001389815825 1353632003 /nfs/dbraw/zinc/63/20/03/1353632003.db2.gz IXJOBJAMXLYWSQ-SFHVURJKSA-N 1 3 346.519 2.546 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001389863962 1353654568 /nfs/dbraw/zinc/65/45/68/1353654568.db2.gz UZWQTYQMPCZPGO-OWYHZJEWSA-N 1 3 331.504 2.879 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001389863970 1353654932 /nfs/dbraw/zinc/65/49/32/1353654932.db2.gz UZWQTYQMPCZPGO-WNHJNPCNSA-N 1 3 331.504 2.879 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898967 1353675492 /nfs/dbraw/zinc/67/54/92/1353675492.db2.gz MBPLHTSNUAXHDB-XDKFSHSGSA-N 1 3 335.467 2.710 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC001390072954 1353784732 /nfs/dbraw/zinc/78/47/32/1353784732.db2.gz RTHKKUIOUYDCHN-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001390160888 1353877305 /nfs/dbraw/zinc/87/73/05/1353877305.db2.gz LVGMTGJVPIQGGE-GSNCDVCBSA-N 1 3 329.916 2.688 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001390160888 1353877311 /nfs/dbraw/zinc/87/73/11/1353877311.db2.gz LVGMTGJVPIQGGE-GSNCDVCBSA-N 1 3 329.916 2.688 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001390163473 1353880009 /nfs/dbraw/zinc/88/00/09/1353880009.db2.gz RBVKXTMPLNGGAS-MSOLQXFVSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccn2)C1 ZINC001390163473 1353880014 /nfs/dbraw/zinc/88/00/14/1353880014.db2.gz RBVKXTMPLNGGAS-MSOLQXFVSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21)[NH+](C)C ZINC001390222613 1353933182 /nfs/dbraw/zinc/93/31/82/1353933182.db2.gz JFLSGQDMFGNAAF-RKWNZTQVSA-N 1 3 347.478 2.519 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001390503255 1354130650 /nfs/dbraw/zinc/13/06/50/1354130650.db2.gz CBHPXYHHDHVNKX-BEFAXECRSA-N 1 3 348.535 2.694 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001390600714 1354196846 /nfs/dbraw/zinc/19/68/46/1354196846.db2.gz BJAIPCVFKRYJES-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001390606823 1354201281 /nfs/dbraw/zinc/20/12/81/1354201281.db2.gz TUPLHUVIJWFJEA-MKRLJBPISA-N 1 3 348.318 2.620 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001390779736 1354366329 /nfs/dbraw/zinc/36/63/29/1354366329.db2.gz LHKDNCIHLIDSEL-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001390779736 1354366333 /nfs/dbraw/zinc/36/63/33/1354366333.db2.gz LHKDNCIHLIDSEL-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001390807362 1354393209 /nfs/dbraw/zinc/39/32/09/1354393209.db2.gz AZIKBYPFQQQRHU-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390819949 1354406305 /nfs/dbraw/zinc/40/63/05/1354406305.db2.gz QPZVVGPRUQCDAA-MAUKXSAKSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390819949 1354406306 /nfs/dbraw/zinc/40/63/06/1354406306.db2.gz QPZVVGPRUQCDAA-MAUKXSAKSA-N 1 3 335.467 2.667 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001390862277 1354444704 /nfs/dbraw/zinc/44/47/04/1354444704.db2.gz IJLYTXOZGBOJDV-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001390862277 1354444705 /nfs/dbraw/zinc/44/47/05/1354444705.db2.gz IJLYTXOZGBOJDV-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC001390986498 1354640282 /nfs/dbraw/zinc/64/02/82/1354640282.db2.gz HEQLBRPJPONCGX-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001391057133 1354744130 /nfs/dbraw/zinc/74/41/30/1354744130.db2.gz BMJRZUKDVHHIDP-LFIXQJEJSA-N 1 3 329.488 2.622 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001391057140 1354744446 /nfs/dbraw/zinc/74/44/46/1354744446.db2.gz BMJRZUKDVHHIDP-NJGYHNCTSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001391060721 1354749061 /nfs/dbraw/zinc/74/90/61/1354749061.db2.gz JJTGZTZEYHCIKD-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097648 1354790569 /nfs/dbraw/zinc/79/05/69/1354790569.db2.gz NSDOMNIWJJNWMA-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097648 1354790571 /nfs/dbraw/zinc/79/05/71/1354790571.db2.gz NSDOMNIWJJNWMA-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)c1ccccc1C[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001391154626 1354878499 /nfs/dbraw/zinc/87/84/99/1354878499.db2.gz LCXWNKVZPAHDCR-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001391154626 1354878504 /nfs/dbraw/zinc/87/85/04/1354878504.db2.gz LCXWNKVZPAHDCR-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001391189201 1354918186 /nfs/dbraw/zinc/91/81/86/1354918186.db2.gz XHUHPEAQYMFJPD-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001391189201 1354918190 /nfs/dbraw/zinc/91/81/90/1354918190.db2.gz XHUHPEAQYMFJPD-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001391198819 1354927072 /nfs/dbraw/zinc/92/70/72/1354927072.db2.gz DOVDYIJJZPTOPI-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001391214977 1354939644 /nfs/dbraw/zinc/93/96/44/1354939644.db2.gz JLXCWAFDPMSWIH-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CC2CC(F)(F)C2)CC1 ZINC001391250520 1354972982 /nfs/dbraw/zinc/97/29/82/1354972982.db2.gz VAULHCFACAYELC-CQSZACIVSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391301730 1355043637 /nfs/dbraw/zinc/04/36/37/1355043637.db2.gz UCPPCTAXDOWPSX-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001391301730 1355043639 /nfs/dbraw/zinc/04/36/39/1355043639.db2.gz UCPPCTAXDOWPSX-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001391339961 1355095165 /nfs/dbraw/zinc/09/51/65/1355095165.db2.gz OSRZWXBGNBIICV-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001391339961 1355095170 /nfs/dbraw/zinc/09/51/70/1355095170.db2.gz OSRZWXBGNBIICV-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001391350944 1355110466 /nfs/dbraw/zinc/11/04/66/1355110466.db2.gz DXGSTBVZYRAAES-OJLWIZQOSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001391350944 1355110467 /nfs/dbraw/zinc/11/04/67/1355110467.db2.gz DXGSTBVZYRAAES-OJLWIZQOSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](CN(C)C/C=C/Cl)C2)CC1 ZINC001391351261 1355111520 /nfs/dbraw/zinc/11/15/20/1355111520.db2.gz JJQNVLXJAJNYCT-KZJSRBBCSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365072 1355132047 /nfs/dbraw/zinc/13/20/47/1355132047.db2.gz WGZANGJSFBQSKU-VQIMIIECSA-N 1 3 340.471 2.884 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001391365072 1355132051 /nfs/dbraw/zinc/13/20/51/1355132051.db2.gz WGZANGJSFBQSKU-VQIMIIECSA-N 1 3 340.471 2.884 20 0 EFADHO CN(C)C1(C(=O)NC2CCC([NH2+]Cc3ccccc3)CC2)CCC1 ZINC001398841682 1360827748 /nfs/dbraw/zinc/82/77/48/1360827748.db2.gz XFJWVXAAPKOVKL-UHFFFAOYSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001391503887 1355254908 /nfs/dbraw/zinc/25/49/08/1355254908.db2.gz GTQGQIJCAOFBID-INIZCTEOSA-N 1 3 331.504 2.774 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391552076 1355299616 /nfs/dbraw/zinc/29/96/16/1355299616.db2.gz BJTWBDCUJUJXEJ-FHWLQOOXSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391552076 1355299619 /nfs/dbraw/zinc/29/96/19/1355299619.db2.gz BJTWBDCUJUJXEJ-FHWLQOOXSA-N 1 3 331.504 2.914 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001391594118 1355334812 /nfs/dbraw/zinc/33/48/12/1355334812.db2.gz QABHNUWWFLHORG-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001391594118 1355334818 /nfs/dbraw/zinc/33/48/18/1355334818.db2.gz QABHNUWWFLHORG-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)Cc2ccc3ccccc3c2)C1 ZINC001399574773 1361344053 /nfs/dbraw/zinc/34/40/53/1361344053.db2.gz JIMMPZATWNSIQI-KRWDZBQOSA-N 1 3 339.483 2.730 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)Cc2ccc3ccccc3c2)C1 ZINC001399574773 1361344054 /nfs/dbraw/zinc/34/40/54/1361344054.db2.gz JIMMPZATWNSIQI-KRWDZBQOSA-N 1 3 339.483 2.730 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1ccc(F)cc1C ZINC001399812091 1361512246 /nfs/dbraw/zinc/51/22/46/1361512246.db2.gz ZVIQDJXCZBBYBN-SFHVURJKSA-N 1 3 337.483 2.658 20 0 EFADHO C[NH+](C)CCCC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001391773126 1355517213 /nfs/dbraw/zinc/51/72/13/1355517213.db2.gz LEZMRXHMPITTDC-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001391954480 1355678184 /nfs/dbraw/zinc/67/81/84/1355678184.db2.gz XWTOCEDBHGZXTM-CXAGYDPISA-N 1 3 339.549 2.793 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001392006601 1355710541 /nfs/dbraw/zinc/71/05/41/1355710541.db2.gz BSQJONAXEGERKT-CQSZACIVSA-N 1 3 349.441 2.832 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001392088828 1355761808 /nfs/dbraw/zinc/76/18/08/1355761808.db2.gz JFEVAEOKDJRFCL-PKOBYXMFSA-N 1 3 331.504 2.643 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001392088821 1355761962 /nfs/dbraw/zinc/76/19/62/1355761962.db2.gz JFEVAEOKDJRFCL-IEBWSBKVSA-N 1 3 331.504 2.643 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001392121373 1355783289 /nfs/dbraw/zinc/78/32/89/1355783289.db2.gz KMLKVIZWBVOKEM-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001392196473 1355852301 /nfs/dbraw/zinc/85/23/01/1355852301.db2.gz RXDBUVQGXVKTEH-CXSQMQJXSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1)N(C)C ZINC001392196473 1355852308 /nfs/dbraw/zinc/85/23/08/1355852308.db2.gz RXDBUVQGXVKTEH-CXSQMQJXSA-N 1 3 329.916 2.640 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392277701 1355933277 /nfs/dbraw/zinc/93/32/77/1355933277.db2.gz DRALDQAXKFCZFY-IIDMSEBBSA-N 1 3 335.467 2.617 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392277701 1355933281 /nfs/dbraw/zinc/93/32/81/1355933281.db2.gz DRALDQAXKFCZFY-IIDMSEBBSA-N 1 3 335.467 2.617 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001392286406 1355942580 /nfs/dbraw/zinc/94/25/80/1355942580.db2.gz BDSOLZSMCNYHMH-OXJNMPFZSA-N 1 3 345.531 2.967 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001392286406 1355942582 /nfs/dbraw/zinc/94/25/82/1355942582.db2.gz BDSOLZSMCNYHMH-OXJNMPFZSA-N 1 3 345.531 2.967 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001392287810 1355944410 /nfs/dbraw/zinc/94/44/10/1355944410.db2.gz IZXHGWICFILITP-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001392287810 1355944413 /nfs/dbraw/zinc/94/44/13/1355944413.db2.gz IZXHGWICFILITP-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CN(CCN(C)C(=O)C12CCC[NH+]1CCC2)Cc1ccc(CF)cc1 ZINC001392290493 1355947260 /nfs/dbraw/zinc/94/72/60/1355947260.db2.gz UNEICWWSRIKVCK-UHFFFAOYSA-N 1 3 347.478 2.675 20 0 EFADHO CN(CCN(C)[C@H]1CCCc2ccc(F)cc21)C(=O)CCC[NH+](C)C ZINC001392299458 1355955982 /nfs/dbraw/zinc/95/59/82/1355955982.db2.gz HIFPIQRMTCCOKE-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)C1(N(C)C)CCC1 ZINC001392451146 1356047410 /nfs/dbraw/zinc/04/74/10/1356047410.db2.gz ZUEIONHUMJTPSK-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001392504508 1356082227 /nfs/dbraw/zinc/08/22/27/1356082227.db2.gz JYYJNYFNCOFRAR-IEBWSBKVSA-N 1 3 333.520 2.792 20 0 EFADHO Cc1ccc(CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c(Cl)c1 ZINC001392523271 1356096915 /nfs/dbraw/zinc/09/69/15/1356096915.db2.gz BVPNONMKDRGNGZ-PBHICJAKSA-N 1 3 339.911 2.829 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001401117491 1362455052 /nfs/dbraw/zinc/45/50/52/1362455052.db2.gz HZWQHFWVFANVEC-DNVCBOLYSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001392526061 1356099705 /nfs/dbraw/zinc/09/97/05/1356099705.db2.gz SDKZWGUDTRMMFG-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001392610785 1356158481 /nfs/dbraw/zinc/15/84/81/1356158481.db2.gz VBQQNYVGYUOJQN-STQMWFEESA-N 1 3 343.874 2.976 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1C ZINC001392787013 1356326157 /nfs/dbraw/zinc/32/61/57/1356326157.db2.gz DLWNKGUVUZKIMU-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001392789744 1356328540 /nfs/dbraw/zinc/32/85/40/1356328540.db2.gz UKHSJLQGVXRENW-DLBZAZTESA-N 1 3 337.533 2.627 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001392795508 1356332301 /nfs/dbraw/zinc/33/23/01/1356332301.db2.gz CBJARRHRFDGOCB-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001401779244 1363118335 /nfs/dbraw/zinc/11/83/35/1363118335.db2.gz JEMVFBWTBMOUHS-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2[C@H]2CCCc3ccccc32)CC1 ZINC001392849344 1356372964 /nfs/dbraw/zinc/37/29/64/1356372964.db2.gz XJHLBJXMVGRYQU-HKUYNNGSSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001392897705 1356415363 /nfs/dbraw/zinc/41/53/63/1356415363.db2.gz NEGHKRQJXYCBTP-SMTIMMHKSA-N 1 3 341.499 2.811 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1 ZINC001392897690 1356415487 /nfs/dbraw/zinc/41/54/87/1356415487.db2.gz NEGHKRQJXYCBTP-IUYMFKLXSA-N 1 3 341.499 2.811 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001392976751 1356484239 /nfs/dbraw/zinc/48/42/39/1356484239.db2.gz XBMNQSMFVMIOPP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001392976751 1356484244 /nfs/dbraw/zinc/48/42/44/1356484244.db2.gz XBMNQSMFVMIOPP-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001393041944 1356532685 /nfs/dbraw/zinc/53/26/85/1356532685.db2.gz WMUJOAUANZEPRB-QWYBNYMASA-N 1 3 338.455 2.635 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC001393049569 1356537698 /nfs/dbraw/zinc/53/76/98/1356537698.db2.gz BDOMUZPUYSBXPS-SFHVURJKSA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001393179123 1356683843 /nfs/dbraw/zinc/68/38/43/1356683843.db2.gz ASNKOHDHHZAKQB-SFHVURJKSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2(C)CCN(C/C=C/Cl)CC2)CC1 ZINC001393182261 1356688632 /nfs/dbraw/zinc/68/86/32/1356688632.db2.gz GDVXNOBKYGRCAG-FPYGCLRLSA-N 1 3 341.927 2.689 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001393208247 1356721901 /nfs/dbraw/zinc/72/19/01/1356721901.db2.gz SJPQRKBKBXCMHI-PZJWPPBQSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001393208247 1356721906 /nfs/dbraw/zinc/72/19/06/1356721906.db2.gz SJPQRKBKBXCMHI-PZJWPPBQSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)cs1 ZINC001393569052 1356958184 /nfs/dbraw/zinc/95/81/84/1356958184.db2.gz ZCLRQKHINDLSBA-INIZCTEOSA-N 1 3 337.533 2.771 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001393621595 1357011875 /nfs/dbraw/zinc/01/18/75/1357011875.db2.gz VKXUYPPSRVHTGM-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1c(C)cccc1C)N(C)C ZINC001393621595 1357011876 /nfs/dbraw/zinc/01/18/76/1357011876.db2.gz VKXUYPPSRVHTGM-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CCc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001393631156 1357025523 /nfs/dbraw/zinc/02/55/23/1357025523.db2.gz DHLAICXJDVAUJY-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001393631156 1357025564 /nfs/dbraw/zinc/02/55/64/1357025564.db2.gz DHLAICXJDVAUJY-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001393632627 1357028556 /nfs/dbraw/zinc/02/85/56/1357028556.db2.gz LQRRIQHIBOIIFX-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccccn1 ZINC001393632627 1357028561 /nfs/dbraw/zinc/02/85/61/1357028561.db2.gz LQRRIQHIBOIIFX-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1 ZINC001393641876 1357041875 /nfs/dbraw/zinc/04/18/75/1357041875.db2.gz SGZNMOJBSPPUHJ-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1 ZINC001393641876 1357041876 /nfs/dbraw/zinc/04/18/76/1357041876.db2.gz SGZNMOJBSPPUHJ-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO Cc1cncc(CN(C)CCCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001393642898 1357043424 /nfs/dbraw/zinc/04/34/24/1357043424.db2.gz XRJSDRXVELPWQP-UHFFFAOYSA-N 1 3 346.519 2.546 20 0 EFADHO C[N@H+](C/C=C\c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394391874 1357764841 /nfs/dbraw/zinc/76/48/41/1357764841.db2.gz UASSODDOQIGFBR-YVMONPNESA-N 1 3 338.455 2.588 20 0 EFADHO C[N@@H+](C/C=C\c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394391874 1357764846 /nfs/dbraw/zinc/76/48/46/1357764846.db2.gz UASSODDOQIGFBR-YVMONPNESA-N 1 3 338.455 2.588 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2csc(C)c2)CC1 ZINC001394401456 1357777960 /nfs/dbraw/zinc/77/79/60/1357777960.db2.gz VBKPKEBQINWRDV-UHFFFAOYSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2csc(C)c2)CC1 ZINC001394401456 1357777964 /nfs/dbraw/zinc/77/79/64/1357777964.db2.gz VBKPKEBQINWRDV-UHFFFAOYSA-N 1 3 337.533 2.821 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001394432256 1357811671 /nfs/dbraw/zinc/81/16/71/1357811671.db2.gz NRSMIKBFNWUUTM-LJQANCHMSA-N 1 3 343.515 2.806 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001394666171 1357984966 /nfs/dbraw/zinc/98/49/66/1357984966.db2.gz FQIUKOMAKNEDRK-NVXWUHKLSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\Cl)CN1C(=O)c1cccc(CN(C)C)c1 ZINC001394670088 1357987568 /nfs/dbraw/zinc/98/75/68/1357987568.db2.gz OWBAROJTIUMCHX-GXYHLBQZSA-N 1 3 335.879 2.693 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394674977 1357992237 /nfs/dbraw/zinc/99/22/37/1357992237.db2.gz WHPRCMQVRIWVKD-AEFFLSMTSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001394698751 1358023417 /nfs/dbraw/zinc/02/34/17/1358023417.db2.gz BEYZCDOXRGLNFJ-DOTOQJQBSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394708051 1358035108 /nfs/dbraw/zinc/03/51/08/1358035108.db2.gz QNYBROZOMOFKNK-IEBWSBKVSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ncccc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001394824304 1358122260 /nfs/dbraw/zinc/12/22/60/1358122260.db2.gz VVSRMKIRBXYXCH-ROUUACIJSA-N 1 3 348.535 2.597 20 0 EFADHO Cc1cccnc1CNC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001394829926 1358129736 /nfs/dbraw/zinc/12/97/36/1358129736.db2.gz AZRCHWWVOGCGMK-ZWKOTPCHSA-N 1 3 348.535 2.597 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C)N(C)C ZINC001394837772 1358138894 /nfs/dbraw/zinc/13/88/94/1358138894.db2.gz UTPDEMBKKNACEZ-IRXDYDNUSA-N 1 3 337.483 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001397095941 1359673413 /nfs/dbraw/zinc/67/34/13/1359673413.db2.gz JMJQDNDUYIWDEQ-HDICACEKSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1F ZINC001397122367 1359689147 /nfs/dbraw/zinc/68/91/47/1359689147.db2.gz NMNNQBUDDZOCSP-QAQDUYKDSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001397133090 1359696287 /nfs/dbraw/zinc/69/62/87/1359696287.db2.gz HTDLZPWVWUGEOM-JCNLHEQBSA-N 1 3 337.895 2.666 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001397134313 1359696646 /nfs/dbraw/zinc/69/66/46/1359696646.db2.gz KOOIYQMXCRIWGI-OBJOEFQTSA-N 1 3 343.924 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCC1)CC2 ZINC001397179499 1359728698 /nfs/dbraw/zinc/72/86/98/1359728698.db2.gz XHGVCOHVGVEVAF-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001437146522 1387419306 /nfs/dbraw/zinc/41/93/06/1387419306.db2.gz NKECJKMELAORMQ-AWEZNQCLSA-N 1 3 329.444 2.511 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001397610412 1360001616 /nfs/dbraw/zinc/00/16/16/1360001616.db2.gz QTYHSJQZCMIRNT-LTDCPUDJSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001397610454 1360001743 /nfs/dbraw/zinc/00/17/43/1360001743.db2.gz RBKHJDMRWOTASF-UAGQMJEPSA-N 1 3 337.533 2.627 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397695298 1360056420 /nfs/dbraw/zinc/05/64/20/1360056420.db2.gz KPOFYJUXRZCALP-LNMJFAINSA-N 1 3 349.494 2.957 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001397696851 1360057906 /nfs/dbraw/zinc/05/79/06/1360057906.db2.gz ZHCVMVQLHIURHK-AZFSHXRASA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccc2F)CC1)N(C)C ZINC001398198772 1360373186 /nfs/dbraw/zinc/37/31/86/1360373186.db2.gz YZSSMSXXCHIUIF-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001398253421 1360421804 /nfs/dbraw/zinc/42/18/04/1360421804.db2.gz SUQDDHIIDOJXBY-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001398253421 1360421811 /nfs/dbraw/zinc/42/18/11/1360421811.db2.gz SUQDDHIIDOJXBY-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398465077 1360583005 /nfs/dbraw/zinc/58/30/05/1360583005.db2.gz NXFSECFLDMAKEY-NADMHLTPSA-N 1 3 341.927 2.785 20 0 EFADHO CN(Cc1ccccc1F)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398479727 1360592381 /nfs/dbraw/zinc/59/23/81/1360592381.db2.gz VESUMNLSXAWWLB-QGZVFWFLSA-N 1 3 349.494 2.838 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001398537122 1360633034 /nfs/dbraw/zinc/63/30/34/1360633034.db2.gz MYOGZPDARMELAO-OSMBCOQSSA-N 1 3 337.895 2.978 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001398560337 1360645721 /nfs/dbraw/zinc/64/57/21/1360645721.db2.gz ISFGIAYEJCOVGA-IXFYRXCXSA-N 1 3 349.906 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001398568871 1360650118 /nfs/dbraw/zinc/65/01/18/1360650118.db2.gz UFFGJELKKFZUDM-BZUAXINKSA-N 1 3 345.478 2.635 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC001398725302 1360742823 /nfs/dbraw/zinc/74/28/23/1360742823.db2.gz LZUMFHJKPPNPCK-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001398825171 1360817223 /nfs/dbraw/zinc/81/72/23/1360817223.db2.gz ZCZQAHAVPVIZIY-KVIJGQROSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001398825171 1360817227 /nfs/dbraw/zinc/81/72/27/1360817227.db2.gz ZCZQAHAVPVIZIY-KVIJGQROSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001398825141 1360817274 /nfs/dbraw/zinc/81/72/74/1360817274.db2.gz ZCZQAHAVPVIZIY-GJNTUIEKSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001398825141 1360817277 /nfs/dbraw/zinc/81/72/77/1360817277.db2.gz ZCZQAHAVPVIZIY-GJNTUIEKSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001398838211 1360825750 /nfs/dbraw/zinc/82/57/50/1360825750.db2.gz GUNIKZYPEILCCW-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001398951774 1360890821 /nfs/dbraw/zinc/89/08/21/1360890821.db2.gz PGESUYWTNQXRIP-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001399125946 1361013821 /nfs/dbraw/zinc/01/38/21/1361013821.db2.gz VDEQLQUTHQJQHN-ABAIWWIYSA-N 1 3 346.302 2.928 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001399214977 1361076191 /nfs/dbraw/zinc/07/61/91/1361076191.db2.gz IFWUDJWUPKAMKG-ZFWWWQNUSA-N 1 3 339.430 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001399214977 1361076195 /nfs/dbraw/zinc/07/61/95/1361076195.db2.gz IFWUDJWUPKAMKG-ZFWWWQNUSA-N 1 3 339.430 2.558 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001399253303 1361100992 /nfs/dbraw/zinc/10/09/92/1361100992.db2.gz FFBQHMBAUDMFLG-STQMWFEESA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001399238241 1361091238 /nfs/dbraw/zinc/09/12/38/1361091238.db2.gz FQBFJHHKOQBQNP-KSSFIOAISA-N 1 3 344.434 2.681 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001399238229 1361091299 /nfs/dbraw/zinc/09/12/99/1361091299.db2.gz FQBFJHHKOQBQNP-KBXCAEBGSA-N 1 3 344.434 2.681 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001399252929 1361100974 /nfs/dbraw/zinc/10/09/74/1361100974.db2.gz QQXYBAXZFSWFOL-QTNMRXCUSA-N 1 3 348.318 2.620 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001399274582 1361115937 /nfs/dbraw/zinc/11/59/37/1361115937.db2.gz WVGGXBKLKLFDTQ-IAGOWNOFSA-N 1 3 346.519 2.577 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1)CC(C)(C)C ZINC001399274581 1361116336 /nfs/dbraw/zinc/11/63/36/1361116336.db2.gz WVGGXBKLKLFDTQ-DLBZAZTESA-N 1 3 346.519 2.577 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001399507639 1361289476 /nfs/dbraw/zinc/28/94/76/1361289476.db2.gz WTENJQBBLZAKRS-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001399507639 1361289480 /nfs/dbraw/zinc/28/94/80/1361289480.db2.gz WTENJQBBLZAKRS-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N[C@H](C)c1ccccc1F ZINC001437260001 1387513653 /nfs/dbraw/zinc/51/36/53/1387513653.db2.gz HAAPRCHQUMQMFM-HZPDHXFCSA-N 1 3 335.467 2.857 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001399704723 1361440601 /nfs/dbraw/zinc/44/06/01/1361440601.db2.gz GMFMPIWRUYOASZ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001399704723 1361440603 /nfs/dbraw/zinc/44/06/03/1361440603.db2.gz GMFMPIWRUYOASZ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001399887759 1361552586 /nfs/dbraw/zinc/55/25/86/1361552586.db2.gz BSFSJFMCKYJQKA-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001399914996 1361572483 /nfs/dbraw/zinc/57/24/83/1361572483.db2.gz OPOKJIOOSXSMOT-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001399914996 1361572487 /nfs/dbraw/zinc/57/24/87/1361572487.db2.gz OPOKJIOOSXSMOT-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001399918206 1361575503 /nfs/dbraw/zinc/57/55/03/1361575503.db2.gz UXYABAFXCRIFSK-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001399918206 1361575504 /nfs/dbraw/zinc/57/55/04/1361575504.db2.gz UXYABAFXCRIFSK-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001399936784 1361592665 /nfs/dbraw/zinc/59/26/65/1361592665.db2.gz YCYCAQICJHUGHL-INIZCTEOSA-N 1 3 349.906 2.620 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001399959655 1361613201 /nfs/dbraw/zinc/61/32/01/1361613201.db2.gz YXCJOIQQOKWTRK-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001399959655 1361613207 /nfs/dbraw/zinc/61/32/07/1361613207.db2.gz YXCJOIQQOKWTRK-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001400065464 1361708593 /nfs/dbraw/zinc/70/85/93/1361708593.db2.gz DZKRLDACXYZFHS-QAPCUYQASA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001400066662 1361709690 /nfs/dbraw/zinc/70/96/90/1361709690.db2.gz IOVOOEPYRDQRLG-BBRMVZONSA-N 1 3 325.884 2.789 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCc2cccs2)CC1 ZINC001400238295 1361873699 /nfs/dbraw/zinc/87/36/99/1361873699.db2.gz JTTIIOJNZKDDMY-SFHVURJKSA-N 1 3 349.544 2.555 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCc2cccs2)CC1 ZINC001400238295 1361873704 /nfs/dbraw/zinc/87/37/04/1361873704.db2.gz JTTIIOJNZKDDMY-SFHVURJKSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1cc(C)c(C[NH+]2CC(CNC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001400503031 1362000684 /nfs/dbraw/zinc/00/06/84/1362000684.db2.gz MALLCLHDWAWRFL-FQEVSTJZSA-N 1 3 345.531 2.746 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001400533934 1362016067 /nfs/dbraw/zinc/01/60/67/1362016067.db2.gz RCBTYMGDMRRXRJ-WOJBJXKFSA-N 1 3 343.515 2.698 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001400767071 1362151900 /nfs/dbraw/zinc/15/19/00/1362151900.db2.gz OBZQEFKPQXJODM-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001400767071 1362151901 /nfs/dbraw/zinc/15/19/01/1362151901.db2.gz OBZQEFKPQXJODM-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001400812579 1362179242 /nfs/dbraw/zinc/17/92/42/1362179242.db2.gz KOQZBKNMOHHWOY-PBHICJAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(F)cc1C ZINC001400815680 1362181245 /nfs/dbraw/zinc/18/12/45/1362181245.db2.gz VKSNAROYWCKRTH-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001400818647 1362184483 /nfs/dbraw/zinc/18/44/83/1362184483.db2.gz FOHNZOAEUVUSJQ-SJORKVTESA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001400824072 1362188096 /nfs/dbraw/zinc/18/80/96/1362188096.db2.gz POFZUZGSTQKJBO-HOTGVXAUSA-N 1 3 347.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001437334183 1387556393 /nfs/dbraw/zinc/55/63/93/1387556393.db2.gz QWODQTDVWSHWEP-QZTJIDSGSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001400841257 1362203163 /nfs/dbraw/zinc/20/31/63/1362203163.db2.gz BPPQXUJCYQTONB-RBUKOAKNSA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001437341216 1387564598 /nfs/dbraw/zinc/56/45/98/1387564598.db2.gz ZCOPVVKBWXGKHZ-SJORKVTESA-N 1 3 337.533 2.915 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc2cccnc21 ZINC001400912043 1362250776 /nfs/dbraw/zinc/25/07/76/1362250776.db2.gz RJAFFBGDQFOIPA-ROUUACIJSA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001400934530 1362274580 /nfs/dbraw/zinc/27/45/80/1362274580.db2.gz PDJCPLSZYJWCKX-SWLSCSKDSA-N 1 3 345.940 2.972 20 0 EFADHO Cc1cc(C[NH2+]CC2(NC(=O)CN3CC[C@H](C)C3)CCCC2)cs1 ZINC001400957106 1362297140 /nfs/dbraw/zinc/29/71/40/1362297140.db2.gz OFQORIFXXYPPOZ-HNNXBMFYSA-N 1 3 349.544 2.917 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401074729 1362416235 /nfs/dbraw/zinc/41/62/35/1362416235.db2.gz MCLPQXLLSMSQNK-MDGVGCGJSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C/Cl)CC1 ZINC001401074729 1362416238 /nfs/dbraw/zinc/41/62/38/1362416238.db2.gz MCLPQXLLSMSQNK-MDGVGCGJSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001401079799 1362422835 /nfs/dbraw/zinc/42/28/35/1362422835.db2.gz QGGPVDHTEQAMQQ-MEMKZHQFSA-N 1 3 329.916 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001401091395 1362434172 /nfs/dbraw/zinc/43/41/72/1362434172.db2.gz SGJRCHTYIUOIMI-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001401113417 1362450895 /nfs/dbraw/zinc/45/08/95/1362450895.db2.gz HWQUZOUXQVYQLF-SJLPKXTDSA-N 1 3 331.504 2.964 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1 ZINC001401187653 1362526372 /nfs/dbraw/zinc/52/63/72/1362526372.db2.gz KKKXLLLIKHKWJR-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC2(CN(Cc3cccc(C)c3)C2)CC1 ZINC001401192340 1362532745 /nfs/dbraw/zinc/53/27/45/1362532745.db2.gz FDYNCJDRXCENBA-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC2(CN(Cc3cccc(C)c3)C2)CC1 ZINC001401192340 1362532752 /nfs/dbraw/zinc/53/27/52/1362532752.db2.gz FDYNCJDRXCENBA-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)c(F)c1)N(C)C(=O)CCC[NH+](C)C ZINC001401240098 1362578020 /nfs/dbraw/zinc/57/80/20/1362578020.db2.gz PBQYQOIJBKSBRM-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccc2c(c1)CCC2 ZINC001401240533 1362578497 /nfs/dbraw/zinc/57/84/97/1362578497.db2.gz HOBWRRMQNGBFAS-LSDHHAIUSA-N 1 3 340.471 2.639 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401244269 1362583246 /nfs/dbraw/zinc/58/32/46/1362583246.db2.gz XFOJIHVSHBMLDU-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001401265995 1362606390 /nfs/dbraw/zinc/60/63/90/1362606390.db2.gz YUAYKPMOAMYOKU-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001401335048 1362681158 /nfs/dbraw/zinc/68/11/58/1362681158.db2.gz BMZIVUYPGKOKHB-QZTJIDSGSA-N 1 3 337.483 2.642 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCCN1C ZINC001401378526 1362730221 /nfs/dbraw/zinc/73/02/21/1362730221.db2.gz PNPYQSIYLQWVDU-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCCN1C ZINC001401378526 1362730224 /nfs/dbraw/zinc/73/02/24/1362730224.db2.gz PNPYQSIYLQWVDU-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001401381982 1362734975 /nfs/dbraw/zinc/73/49/75/1362734975.db2.gz FISWZKMAOCRFOB-QGZVFWFLSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC2CCC(C)(C)CC2)C1 ZINC001401381982 1362734977 /nfs/dbraw/zinc/73/49/77/1362734977.db2.gz FISWZKMAOCRFOB-QGZVFWFLSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(F)cc1C ZINC001401437549 1362806438 /nfs/dbraw/zinc/80/64/38/1362806438.db2.gz JSALXXCXSSNQPF-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(F)cc1C ZINC001401437549 1362806441 /nfs/dbraw/zinc/80/64/41/1362806441.db2.gz JSALXXCXSSNQPF-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001401484589 1362876677 /nfs/dbraw/zinc/87/66/77/1362876677.db2.gz GZZOJZXYAMCHGK-QFBILLFUSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001401492840 1362884912 /nfs/dbraw/zinc/88/49/12/1362884912.db2.gz NUGUNSNRHIWHBG-QUCCMNQESA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001401588674 1362953492 /nfs/dbraw/zinc/95/34/92/1362953492.db2.gz WZAWOWRGXMYAMP-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001401629367 1362983348 /nfs/dbraw/zinc/98/33/48/1362983348.db2.gz YONVLIVEENUQOW-RISCZKNCSA-N 1 3 331.913 2.582 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001401686936 1363025744 /nfs/dbraw/zinc/02/57/44/1363025744.db2.gz SBATUTSENCKDRV-KSSFIOAISA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001401700974 1363036636 /nfs/dbraw/zinc/03/66/36/1363036636.db2.gz UTHFXOVYVYIJPF-AWEZNQCLSA-N 1 3 337.895 2.585 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NC/C=C\c2ccccc2)CC1 ZINC001401983067 1363300766 /nfs/dbraw/zinc/30/07/66/1363300766.db2.gz BHSAQMSQTYNYRE-YFHOEESVSA-N 1 3 341.499 2.814 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC001401986753 1363303336 /nfs/dbraw/zinc/30/33/36/1363303336.db2.gz PHSNPTIVRVNRKE-WOMSROEHSA-N 1 3 347.890 2.543 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NC/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC001401986753 1363303340 /nfs/dbraw/zinc/30/33/40/1363303340.db2.gz PHSNPTIVRVNRKE-WOMSROEHSA-N 1 3 347.890 2.543 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001401995272 1363313009 /nfs/dbraw/zinc/31/30/09/1363313009.db2.gz CMJWTOFPJNDVCY-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001401995272 1363313012 /nfs/dbraw/zinc/31/30/12/1363313012.db2.gz CMJWTOFPJNDVCY-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001402055254 1363362716 /nfs/dbraw/zinc/36/27/16/1363362716.db2.gz GSYNMOSQLMRTOZ-QWHCGFSZSA-N 1 3 348.318 2.759 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001402162012 1363469450 /nfs/dbraw/zinc/46/94/50/1363469450.db2.gz VJEDYKLUEDPSAV-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1)[NH+](C)C ZINC001402225794 1363546072 /nfs/dbraw/zinc/54/60/72/1363546072.db2.gz BZFHMAZDOHYSHZ-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001437422989 1387632914 /nfs/dbraw/zinc/63/29/14/1387632914.db2.gz TVTCRQRXYPZITR-OAHLLOKOSA-N 1 3 328.460 2.562 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001402314939 1363601600 /nfs/dbraw/zinc/60/16/00/1363601600.db2.gz OYESXKKCSKRZNT-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]Cc2ccccc2Cl)C2CC2)CCC1 ZINC001402320706 1363603946 /nfs/dbraw/zinc/60/39/46/1363603946.db2.gz WTDUKJIQHXQELK-QGZVFWFLSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001402414222 1363673881 /nfs/dbraw/zinc/67/38/81/1363673881.db2.gz YBBZPAJOBNWHDJ-PMACEKPBSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001402414222 1363673884 /nfs/dbraw/zinc/67/38/84/1363673884.db2.gz YBBZPAJOBNWHDJ-PMACEKPBSA-N 1 3 345.531 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCc2ccc(C)cc2)C1 ZINC001402430923 1363688959 /nfs/dbraw/zinc/68/89/59/1363688959.db2.gz PFMWJVNSFVNIFZ-ICSRJNTNSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001402531528 1363765208 /nfs/dbraw/zinc/76/52/08/1363765208.db2.gz ACSPHIXEJJHXJR-WKILWMFISA-N 1 3 339.430 2.703 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2F)C1 ZINC001402531984 1363765496 /nfs/dbraw/zinc/76/54/96/1363765496.db2.gz BYCALNGSRUCPIZ-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)cc1 ZINC001402574550 1363801695 /nfs/dbraw/zinc/80/16/95/1363801695.db2.gz MIMMFZHOIOJBDL-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)CCC)C[C@@H]2C)cc1 ZINC001402786232 1364032945 /nfs/dbraw/zinc/03/29/45/1364032945.db2.gz MQAIHYYGYWPFTO-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001402792845 1364039081 /nfs/dbraw/zinc/03/90/81/1364039081.db2.gz UEZRXYULXCDMAR-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC001402853571 1364093055 /nfs/dbraw/zinc/09/30/55/1364093055.db2.gz LNUSPUGQQCCPOO-QWHCGFSZSA-N 1 3 332.423 2.645 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001402914248 1364129396 /nfs/dbraw/zinc/12/93/96/1364129396.db2.gz XAOXODMEETXBCC-AUUYWEPGSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001402916920 1364132554 /nfs/dbraw/zinc/13/25/54/1364132554.db2.gz ZWUWCTXUOMYRET-AWEZNQCLSA-N 1 3 337.895 2.727 20 0 EFADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1ccc(CF)cc1 ZINC001437458204 1387662360 /nfs/dbraw/zinc/66/23/60/1387662360.db2.gz OVVIJMFUUWOWFE-UHFFFAOYSA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@H](C)C1 ZINC001402965529 1364164446 /nfs/dbraw/zinc/16/44/46/1364164446.db2.gz QTEPRNMAAOGDEO-MJGOQNOKSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)C1 ZINC001402965529 1364164451 /nfs/dbraw/zinc/16/44/51/1364164451.db2.gz QTEPRNMAAOGDEO-MJGOQNOKSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001403078653 1364281883 /nfs/dbraw/zinc/28/18/83/1364281883.db2.gz ZJLASFNCXVGGCB-MAUKXSAKSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001403078663 1364282081 /nfs/dbraw/zinc/28/20/81/1364282081.db2.gz ZJLASFNCXVGGCB-YJBOKZPZSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1)c1cccc(F)c1 ZINC001403088164 1364293330 /nfs/dbraw/zinc/29/33/30/1364293330.db2.gz JTOZJMCFSVPTDV-AWEZNQCLSA-N 1 3 346.450 2.927 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1ccccc1 ZINC001403146383 1364364462 /nfs/dbraw/zinc/36/44/62/1364364462.db2.gz XFUQDQVXEAQOJA-KRWDZBQOSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1ccccc1 ZINC001403146383 1364364467 /nfs/dbraw/zinc/36/44/67/1364364467.db2.gz XFUQDQVXEAQOJA-KRWDZBQOSA-N 1 3 331.504 2.540 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001403228779 1364446400 /nfs/dbraw/zinc/44/64/00/1364446400.db2.gz OBZFSCQGMZFKIQ-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\Cl ZINC001403249472 1364460550 /nfs/dbraw/zinc/46/05/50/1364460550.db2.gz AYZZKSSASZSIFG-QARUFBMTSA-N 1 3 329.916 2.686 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001403283967 1364499200 /nfs/dbraw/zinc/49/92/00/1364499200.db2.gz GLKRKAZIKMCJHW-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001403319797 1364537294 /nfs/dbraw/zinc/53/72/94/1364537294.db2.gz TVNKCWHDXMXKBC-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c(C)s1 ZINC001403407046 1364611107 /nfs/dbraw/zinc/61/11/07/1364611107.db2.gz OSVYKXOBLOWACP-ZDUSSCGKSA-N 1 3 337.533 2.834 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001403468893 1364673163 /nfs/dbraw/zinc/67/31/63/1364673163.db2.gz PXICUZRCDYCZJU-PBHICJAKSA-N 1 3 339.911 2.973 20 0 EFADHO COc1ccc(C)cc1CN[C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001403551959 1364754830 /nfs/dbraw/zinc/75/48/30/1364754830.db2.gz CXHRYDIPKUIJHB-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001403558603 1364760425 /nfs/dbraw/zinc/76/04/25/1364760425.db2.gz REKKIOJJWWBHEC-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001403634856 1364838903 /nfs/dbraw/zinc/83/89/03/1364838903.db2.gz NFNSGFLMGPCDPR-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(CF)cc2)C[C@H]1C ZINC001403737468 1364892832 /nfs/dbraw/zinc/89/28/32/1364892832.db2.gz BJKNUXZUEPARRO-CRAIPNDOSA-N 1 3 335.467 2.577 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)[C@@H]1C ZINC001403772714 1364921847 /nfs/dbraw/zinc/92/18/47/1364921847.db2.gz QDJBZCODFHQKCO-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001403776365 1364925870 /nfs/dbraw/zinc/92/58/70/1364925870.db2.gz VJGDUOMHHVCTRF-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2F)[C@@H]1C ZINC001403776365 1364925874 /nfs/dbraw/zinc/92/58/74/1364925874.db2.gz VJGDUOMHHVCTRF-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001403807978 1364961865 /nfs/dbraw/zinc/96/18/65/1364961865.db2.gz VMGMQACQFYXEFZ-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001403807978 1364961869 /nfs/dbraw/zinc/96/18/69/1364961869.db2.gz VMGMQACQFYXEFZ-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001403813879 1364970038 /nfs/dbraw/zinc/97/00/38/1364970038.db2.gz YTCRZUNIAJKTHV-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)[C@@H](C)c2ccccc2)C1 ZINC001437511021 1387711511 /nfs/dbraw/zinc/71/15/11/1387711511.db2.gz OYQRDUUQRCQTBK-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)[C@@H](C)c2ccccc2)C1 ZINC001437511021 1387711514 /nfs/dbraw/zinc/71/15/14/1387711514.db2.gz OYQRDUUQRCQTBK-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc(Cl)cc1)N(C)C ZINC001403913755 1365036482 /nfs/dbraw/zinc/03/64/82/1365036482.db2.gz ZGICWXJOBWTZOS-INIZCTEOSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(Cl)cc1)N(C)C ZINC001403913755 1365036485 /nfs/dbraw/zinc/03/64/85/1365036485.db2.gz ZGICWXJOBWTZOS-INIZCTEOSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437515564 1387715418 /nfs/dbraw/zinc/71/54/18/1387715418.db2.gz BKXJDTIRORRGTC-DLBZAZTESA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCNC(=O)CN1CC[C@H](C)C1 ZINC001437515564 1387715422 /nfs/dbraw/zinc/71/54/22/1387715422.db2.gz BKXJDTIRORRGTC-DLBZAZTESA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(C(F)F)cc2)C1 ZINC001437516311 1387719275 /nfs/dbraw/zinc/71/92/75/1387719275.db2.gz JKACLPPNADUVSI-AWEZNQCLSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(C(F)F)cc2)C1 ZINC001437516311 1387719276 /nfs/dbraw/zinc/71/92/76/1387719276.db2.gz JKACLPPNADUVSI-AWEZNQCLSA-N 1 3 339.430 2.514 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001404008793 1365163307 /nfs/dbraw/zinc/16/33/07/1365163307.db2.gz NXQNZYOHYFFQOR-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001404008793 1365163309 /nfs/dbraw/zinc/16/33/09/1365163309.db2.gz NXQNZYOHYFFQOR-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001404016900 1365172270 /nfs/dbraw/zinc/17/22/70/1365172270.db2.gz LMOFYLKUIDUBRL-JCYILVPMSA-N 1 3 337.895 2.759 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001404027985 1365187159 /nfs/dbraw/zinc/18/71/59/1365187159.db2.gz WYLMDVZESSNPOZ-UHFFFAOYSA-N 1 3 329.488 2.558 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001404084262 1365244635 /nfs/dbraw/zinc/24/46/35/1365244635.db2.gz OWLOAIUMHGGCNG-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001404084262 1365244637 /nfs/dbraw/zinc/24/46/37/1365244637.db2.gz OWLOAIUMHGGCNG-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001437527539 1387732055 /nfs/dbraw/zinc/73/20/55/1387732055.db2.gz UMMIIEXTRLJYCD-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001404209650 1365352893 /nfs/dbraw/zinc/35/28/93/1365352893.db2.gz IIMOQQGDIVIYNE-KDOFPFPSSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001404209650 1365352898 /nfs/dbraw/zinc/35/28/98/1365352898.db2.gz IIMOQQGDIVIYNE-KDOFPFPSSA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001404233868 1365377104 /nfs/dbraw/zinc/37/71/04/1365377104.db2.gz FUHVFLFLFAYQCL-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001404233868 1365377110 /nfs/dbraw/zinc/37/71/10/1365377110.db2.gz FUHVFLFLFAYQCL-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001404341535 1365461923 /nfs/dbraw/zinc/46/19/23/1365461923.db2.gz VKOYOOZCYHGGQN-IVRLUWICSA-N 1 3 329.916 2.542 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001404396361 1365500459 /nfs/dbraw/zinc/50/04/59/1365500459.db2.gz YNIQKNSFJPYIFX-KDURUIRLSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001404396361 1365500460 /nfs/dbraw/zinc/50/04/60/1365500460.db2.gz YNIQKNSFJPYIFX-KDURUIRLSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001404534653 1365635798 /nfs/dbraw/zinc/63/57/98/1365635798.db2.gz RJNRCHYHUHNHOD-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001404534653 1365635799 /nfs/dbraw/zinc/63/57/99/1365635799.db2.gz RJNRCHYHUHNHOD-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001404608557 1365709702 /nfs/dbraw/zinc/70/97/02/1365709702.db2.gz HZOMPEDZOAYUFB-BOHLGEJMSA-N 1 3 349.906 2.895 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001437566227 1387774215 /nfs/dbraw/zinc/77/42/15/1387774215.db2.gz RVSKFHABPBDTCU-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CCc1ccccc1Cl ZINC001405357066 1366161438 /nfs/dbraw/zinc/16/14/38/1366161438.db2.gz SFSKOHJGGAUOTR-OAHLLOKOSA-N 1 3 348.878 2.641 20 0 EFADHO CCCN(C)CC(=O)NCCC1CC[NH+](Cc2ccccc2F)CC1 ZINC001405555790 1366291280 /nfs/dbraw/zinc/29/12/80/1366291280.db2.gz OVFWTRFNIBUCKT-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001405668527 1366329089 /nfs/dbraw/zinc/32/90/89/1366329089.db2.gz KJXGGTOEJABXII-QGZVFWFLSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2ccccc2c1)N(C)C(=O)[C@H]1CCCN1C ZINC001405802091 1366425771 /nfs/dbraw/zinc/42/57/71/1366425771.db2.gz XXZMJXUOGPIFBS-OXQOHEQNSA-N 1 3 339.483 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001405822998 1366440969 /nfs/dbraw/zinc/44/09/69/1366440969.db2.gz FLTSUANELLDYNN-WFASDCNBSA-N 1 3 345.940 2.924 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001405829807 1366446351 /nfs/dbraw/zinc/44/63/51/1366446351.db2.gz MHEJAHBZFIDFLB-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001405873642 1366481877 /nfs/dbraw/zinc/48/18/77/1366481877.db2.gz RJICZYWJCRNXTI-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cc2ccccc2o1 ZINC001405899633 1366503995 /nfs/dbraw/zinc/50/39/95/1366503995.db2.gz WDTATNJRBKZNDR-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cc2ccccc2o1 ZINC001405899633 1366503998 /nfs/dbraw/zinc/50/39/98/1366503998.db2.gz WDTATNJRBKZNDR-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CCN(CCNC(=O)CCC[NH+](C)C)[C@H]1CCc2ccc(F)cc21 ZINC001437618593 1387837316 /nfs/dbraw/zinc/83/73/16/1387837316.db2.gz JNJYFFJMTIMSCY-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001406008495 1367085903 /nfs/dbraw/zinc/08/59/03/1367085903.db2.gz VYMLFVUAWSYWSG-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)c1 ZINC001406035754 1367123837 /nfs/dbraw/zinc/12/38/37/1367123837.db2.gz NEHSQSYLAPEQFQ-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)Cc2ccccc2C2CC2)CC[N@@H+]1C ZINC001406099139 1367223660 /nfs/dbraw/zinc/22/36/60/1367223660.db2.gz IENATRUEIZNWFR-VQIMIIECSA-N 1 3 343.515 2.794 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)Cc2ccccc2C2CC2)CC[N@H+]1C ZINC001406099139 1367223664 /nfs/dbraw/zinc/22/36/64/1367223664.db2.gz IENATRUEIZNWFR-VQIMIIECSA-N 1 3 343.515 2.794 20 0 EFADHO CCCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001406126894 1367277938 /nfs/dbraw/zinc/27/79/38/1367277938.db2.gz QGXYQWRGKBQLEU-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001406126894 1367277943 /nfs/dbraw/zinc/27/79/43/1367277943.db2.gz QGXYQWRGKBQLEU-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2F)C(=O)C1CC[NH+](C)CC1 ZINC001406135808 1367296727 /nfs/dbraw/zinc/29/67/27/1367296727.db2.gz SYDRSOGKZPOASY-LJQANCHMSA-N 1 3 347.478 2.545 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001406160066 1367342067 /nfs/dbraw/zinc/34/20/67/1367342067.db2.gz YHRZGZLTBAEKHM-IBGZPJMESA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001406160066 1367342073 /nfs/dbraw/zinc/34/20/73/1367342073.db2.gz YHRZGZLTBAEKHM-IBGZPJMESA-N 1 3 331.504 2.794 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001406206915 1367403617 /nfs/dbraw/zinc/40/36/17/1367403617.db2.gz WIZRMPGDMYLDCC-HKUYNNGSSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001406660814 1367882945 /nfs/dbraw/zinc/88/29/45/1367882945.db2.gz FQCSLTURHOQNGZ-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001406660814 1367882948 /nfs/dbraw/zinc/88/29/48/1367882948.db2.gz FQCSLTURHOQNGZ-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001406689113 1367925507 /nfs/dbraw/zinc/92/55/07/1367925507.db2.gz QQSUYRLPIBKWOO-KRWDZBQOSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001406701652 1367947211 /nfs/dbraw/zinc/94/72/11/1367947211.db2.gz WQDOLIXZTZKQOG-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001406701652 1367947217 /nfs/dbraw/zinc/94/72/17/1367947217.db2.gz WQDOLIXZTZKQOG-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001406774616 1368032092 /nfs/dbraw/zinc/03/20/92/1368032092.db2.gz KHHHJJAFBCWWLI-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C1CC1 ZINC001406784189 1368047767 /nfs/dbraw/zinc/04/77/67/1368047767.db2.gz JEUUFGLDKZLABU-RTBURBONSA-N 1 3 347.478 2.639 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001406884899 1368165751 /nfs/dbraw/zinc/16/57/51/1368165751.db2.gz NZVGZUTXKGPVAI-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001406884899 1368165761 /nfs/dbraw/zinc/16/57/61/1368165761.db2.gz NZVGZUTXKGPVAI-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCc3cccc(F)c3)CC2)C1 ZINC001406956626 1368246077 /nfs/dbraw/zinc/24/60/77/1368246077.db2.gz NATMXNXMJCUSNC-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCc3cccc(F)c3)CC2)C1 ZINC001406956626 1368246083 /nfs/dbraw/zinc/24/60/83/1368246083.db2.gz NATMXNXMJCUSNC-KRWDZBQOSA-N 1 3 347.478 2.686 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NCCC(F)(F)F)CC2)CCCCC1 ZINC001406958697 1368248153 /nfs/dbraw/zinc/24/81/53/1368248153.db2.gz LBGJLSNRWJJWMJ-UHFFFAOYSA-N 1 3 349.441 2.689 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C(F)F)cc2)CC1)N(C)C ZINC001406987787 1368284971 /nfs/dbraw/zinc/28/49/71/1368284971.db2.gz NLDPZMGSWYELTE-HNNXBMFYSA-N 1 3 339.430 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001407028090 1368347883 /nfs/dbraw/zinc/34/78/83/1368347883.db2.gz YYQCOHSMFZSORH-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001407028090 1368347890 /nfs/dbraw/zinc/34/78/90/1368347890.db2.gz YYQCOHSMFZSORH-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC001407030037 1368351540 /nfs/dbraw/zinc/35/15/40/1368351540.db2.gz PKSLZPFSMXRCCJ-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C[C@@H]1C ZINC001407098874 1368423640 /nfs/dbraw/zinc/42/36/40/1368423640.db2.gz VKMXKUNWJABTAT-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C\Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001407102973 1368427911 /nfs/dbraw/zinc/42/79/11/1368427911.db2.gz ZCZNQKYWOSVKGV-QGBLLJAOSA-N 1 3 348.318 2.616 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001437689451 1387945740 /nfs/dbraw/zinc/94/57/40/1387945740.db2.gz VVTSKHVKMBUHIW-ABMFHFBKSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC001437689451 1387945741 /nfs/dbraw/zinc/94/57/41/1387945741.db2.gz VVTSKHVKMBUHIW-ABMFHFBKSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407232279 1368622780 /nfs/dbraw/zinc/62/27/80/1368622780.db2.gz MZYTXPPHDWTZBO-NRFANRHFSA-N 1 3 343.515 2.808 20 0 EFADHO CC1(CNC(=O)CC[NH+]2CCCCC2)CCN(C/C=C/Cl)CC1 ZINC001407268837 1368679042 /nfs/dbraw/zinc/67/90/42/1368679042.db2.gz IBAAISSLWMUJNV-WEVVVXLNSA-N 1 3 341.927 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407522112 1368936927 /nfs/dbraw/zinc/93/69/27/1368936927.db2.gz MWBPBJGVUPPNLP-FUHWJXTLSA-N 1 3 349.494 2.803 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)C1CCC1 ZINC001407554203 1368979060 /nfs/dbraw/zinc/97/90/60/1368979060.db2.gz QQKMMWXKPXESBU-XOVCXLEDSA-N 1 3 339.911 2.582 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)C1CCC1 ZINC001407554203 1368979068 /nfs/dbraw/zinc/97/90/68/1368979068.db2.gz QQKMMWXKPXESBU-XOVCXLEDSA-N 1 3 339.911 2.582 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]C/C=C\Cl)CCC2)c1 ZINC001407819740 1369270528 /nfs/dbraw/zinc/27/05/28/1369270528.db2.gz GHDGIORUICYQDO-YHYXMXQVSA-N 1 3 335.879 2.743 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCCN1C ZINC001407918302 1369394098 /nfs/dbraw/zinc/39/40/98/1369394098.db2.gz GDIAOQBWUDBYJY-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCCN1C ZINC001407918302 1369394102 /nfs/dbraw/zinc/39/41/02/1369394102.db2.gz GDIAOQBWUDBYJY-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CN(CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)CC(C)(C)C ZINC001408129277 1369632846 /nfs/dbraw/zinc/63/28/46/1369632846.db2.gz QGMODYCELRKWRJ-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C)CC(C)(C)C ZINC001408129277 1369632849 /nfs/dbraw/zinc/63/28/49/1369632849.db2.gz QGMODYCELRKWRJ-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001408163322 1369665691 /nfs/dbraw/zinc/66/56/91/1369665691.db2.gz AHNNUBHMOHBPJN-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001408163322 1369665696 /nfs/dbraw/zinc/66/56/96/1369665696.db2.gz AHNNUBHMOHBPJN-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001408179876 1369686163 /nfs/dbraw/zinc/68/61/63/1369686163.db2.gz PGAQTULURSCPDQ-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cnccc2C)[C@H](C)C1 ZINC001408179876 1369686168 /nfs/dbraw/zinc/68/61/68/1369686168.db2.gz PGAQTULURSCPDQ-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001408200019 1369707399 /nfs/dbraw/zinc/70/73/99/1369707399.db2.gz WZZFUCLKBNVPRN-INIZCTEOSA-N 1 3 343.515 2.644 20 0 EFADHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(C)c(F)c1 ZINC001437758998 1388022024 /nfs/dbraw/zinc/02/20/24/1388022024.db2.gz KUJIROWOTOSTIR-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552462 1370430578 /nfs/dbraw/zinc/43/05/78/1370430578.db2.gz HNCYSLXAEPTWNZ-HKUYNNGSSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001414552462 1370430580 /nfs/dbraw/zinc/43/05/80/1370430580.db2.gz HNCYSLXAEPTWNZ-HKUYNNGSSA-N 1 3 346.519 2.599 20 0 EFADHO C[NH+]1CCC(C(=O)NCCN(C/C=C\c2ccccc2)C2CC2)CC1 ZINC001437809431 1388100010 /nfs/dbraw/zinc/10/00/10/1388100010.db2.gz PSUROIHSYFZXJS-YVMONPNESA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001437856175 1388144991 /nfs/dbraw/zinc/14/49/91/1388144991.db2.gz VQAKJMJTZKQWKY-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)CC(C)(C)C ZINC001437873204 1388160057 /nfs/dbraw/zinc/16/00/57/1388160057.db2.gz FAGNKNFBMRWARM-SFHVURJKSA-N 1 3 331.504 2.821 20 0 EFADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCN(CCCF)C1 ZINC001437914002 1388215676 /nfs/dbraw/zinc/21/56/76/1388215676.db2.gz VTDWJBNXOQAXTG-SFHVURJKSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCN1CCCc1ccccc1)[NH+](C)C ZINC001417743731 1373199285 /nfs/dbraw/zinc/19/92/85/1373199285.db2.gz IYDSIMVMFRXPSD-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001417771666 1373235409 /nfs/dbraw/zinc/23/54/09/1373235409.db2.gz ZDSFNVZOJHRSGP-CVAIRZPRSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001417774058 1373239106 /nfs/dbraw/zinc/23/91/06/1373239106.db2.gz JZCCDMQXTYINSM-ZRGWGRIASA-N 1 3 347.478 2.639 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C1CCN(Cc2cc(F)ccc2C)CC1 ZINC001417908117 1373402861 /nfs/dbraw/zinc/40/28/61/1373402861.db2.gz XOGIBNKMSHDXPW-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C1CCN(Cc2cc(F)ccc2C)CC1 ZINC001417908117 1373402863 /nfs/dbraw/zinc/40/28/63/1373402863.db2.gz XOGIBNKMSHDXPW-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC001417957236 1373451208 /nfs/dbraw/zinc/45/12/08/1373451208.db2.gz RIUOOXCTMWRFOV-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)(C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1)N1CCCCC1 ZINC001417980196 1373481796 /nfs/dbraw/zinc/48/17/96/1373481796.db2.gz UTOWVSFYKIVKPT-AWEZNQCLSA-N 1 3 349.441 2.688 20 0 EFADHO CC1CC(C[NH2+][C@H](CNC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001418010870 1373518737 /nfs/dbraw/zinc/51/87/37/1373518737.db2.gz KMAGZPODIFVBKT-MKJPBZQASA-N 1 3 343.515 2.892 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418060153 1373567484 /nfs/dbraw/zinc/56/74/84/1373567484.db2.gz FDJWOOGXEBNZEL-SZMVWBNQSA-N 1 3 329.488 2.777 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001418074072 1373578134 /nfs/dbraw/zinc/57/81/34/1373578134.db2.gz QSMDNKSLQOFDCJ-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2cc(F)ccc2F)C1 ZINC001418074072 1373578137 /nfs/dbraw/zinc/57/81/37/1373578137.db2.gz QSMDNKSLQOFDCJ-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001418158365 1373699435 /nfs/dbraw/zinc/69/94/35/1373699435.db2.gz BRRHOOUDKCPHSH-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001418158365 1373699442 /nfs/dbraw/zinc/69/94/42/1373699442.db2.gz BRRHOOUDKCPHSH-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418161008 1373708126 /nfs/dbraw/zinc/70/81/26/1373708126.db2.gz JPCFHZMFSNACIG-UYAOXDASSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001418161008 1373708131 /nfs/dbraw/zinc/70/81/31/1373708131.db2.gz JPCFHZMFSNACIG-UYAOXDASSA-N 1 3 343.515 2.840 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C\Cl ZINC001418172341 1373726563 /nfs/dbraw/zinc/72/65/63/1373726563.db2.gz UZMBIKDZEOZFGL-QNLCYANDSA-N 1 3 341.927 2.926 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C\Cl ZINC001418172341 1373726566 /nfs/dbraw/zinc/72/65/66/1373726566.db2.gz UZMBIKDZEOZFGL-QNLCYANDSA-N 1 3 341.927 2.926 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001418242985 1373797973 /nfs/dbraw/zinc/79/79/73/1373797973.db2.gz UBYNVDIBDLAVPG-CJNGLKHVSA-N 1 3 341.446 2.805 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001418335913 1373915053 /nfs/dbraw/zinc/91/50/53/1373915053.db2.gz LLDLWQHZCBUTMB-WRFKIARRSA-N 1 3 349.906 2.886 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001418362995 1373935513 /nfs/dbraw/zinc/93/55/13/1373935513.db2.gz VFMMPZXFBUZBTJ-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001418369058 1373943004 /nfs/dbraw/zinc/94/30/04/1373943004.db2.gz RLTDKWLARKBWSY-IAGOWNOFSA-N 1 3 347.478 2.827 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001418377294 1373955955 /nfs/dbraw/zinc/95/59/55/1373955955.db2.gz ROOAMWIFWFUHIM-XMNZZIDVSA-N 1 3 336.307 2.664 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001437981690 1388292729 /nfs/dbraw/zinc/29/27/29/1388292729.db2.gz RUZASWHOMPQESK-DYLHUKMJSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C1 ZINC001418386325 1373968523 /nfs/dbraw/zinc/96/85/23/1373968523.db2.gz SGRGEECNTRLEBE-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001418386325 1373968526 /nfs/dbraw/zinc/96/85/26/1373968526.db2.gz SGRGEECNTRLEBE-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)CC[C@H]1CCc2ccccc21)C1CCC1 ZINC001418466231 1374057792 /nfs/dbraw/zinc/05/77/92/1374057792.db2.gz ZLOJJKYOLDQUEH-GOSISDBHSA-N 1 3 343.515 2.639 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)CC[C@H]1CCc2ccccc21)C1CCC1 ZINC001418466231 1374057798 /nfs/dbraw/zinc/05/77/98/1374057798.db2.gz ZLOJJKYOLDQUEH-GOSISDBHSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001418517482 1374122102 /nfs/dbraw/zinc/12/21/02/1374122102.db2.gz WSMYTPFTQMRBAI-AZUAARDMSA-N 1 3 345.531 2.741 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001418517482 1374122105 /nfs/dbraw/zinc/12/21/05/1374122105.db2.gz WSMYTPFTQMRBAI-AZUAARDMSA-N 1 3 345.531 2.741 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCCc2ccccc21 ZINC001418562504 1374185450 /nfs/dbraw/zinc/18/54/50/1374185450.db2.gz QAGWXJQSVHODNZ-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCCc2ccccc21 ZINC001418562504 1374185455 /nfs/dbraw/zinc/18/54/55/1374185455.db2.gz QAGWXJQSVHODNZ-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001418573782 1374208273 /nfs/dbraw/zinc/20/82/73/1374208273.db2.gz BSUBVVAJFBDPNB-GOSISDBHSA-N 1 3 345.531 2.874 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC001418573782 1374208276 /nfs/dbraw/zinc/20/82/76/1374208276.db2.gz BSUBVVAJFBDPNB-GOSISDBHSA-N 1 3 345.531 2.874 20 0 EFADHO CN(C/C=C/Cl)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001437992282 1388304604 /nfs/dbraw/zinc/30/46/04/1388304604.db2.gz HYGUERQMRQCGSZ-RUDMXATFSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001418646652 1374316486 /nfs/dbraw/zinc/31/64/86/1374316486.db2.gz KPOFYJUXRZCALP-VVWQDTPRSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418685133 1374367333 /nfs/dbraw/zinc/36/73/33/1374367333.db2.gz ITOBIGHRQMWTAR-MISYRCLQSA-N 1 3 345.531 2.874 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001418693352 1374376332 /nfs/dbraw/zinc/37/63/32/1374376332.db2.gz TXFLHQHWQXWFDM-MRXNPFEDSA-N 1 3 343.471 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001418693352 1374376335 /nfs/dbraw/zinc/37/63/35/1374376335.db2.gz TXFLHQHWQXWFDM-MRXNPFEDSA-N 1 3 343.471 2.713 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001418701621 1374387806 /nfs/dbraw/zinc/38/78/06/1374387806.db2.gz WTXXDLSCYXJNQE-GOSISDBHSA-N 1 3 347.478 2.640 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001418705990 1374392288 /nfs/dbraw/zinc/39/22/88/1374392288.db2.gz WNDZJKPFJMRGHM-JCNLHEQBSA-N 1 3 337.895 2.666 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C)[NH+](C)C ZINC001418773220 1374484699 /nfs/dbraw/zinc/48/46/99/1374484699.db2.gz XUAYHHQVTAMMBZ-NEWSRXKRSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)[NH+](C)C ZINC001418773223 1374484919 /nfs/dbraw/zinc/48/49/19/1374484919.db2.gz XUAYHHQVTAMMBZ-UHOSZYNNSA-N 1 3 331.504 2.599 20 0 EFADHO CCc1ccccc1CN(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001418775507 1374486564 /nfs/dbraw/zinc/48/65/64/1374486564.db2.gz GJGUGNUULUGSEZ-UHFFFAOYSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001418807264 1374528366 /nfs/dbraw/zinc/52/83/66/1374528366.db2.gz JIANYTUAZXNBRX-MRXNPFEDSA-N 1 3 343.515 2.769 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC001418825008 1374545950 /nfs/dbraw/zinc/54/59/50/1374545950.db2.gz GVGQRZUYHOUWCU-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CCc3cccs3)C2)CCC1 ZINC001418926689 1374691572 /nfs/dbraw/zinc/69/15/72/1374691572.db2.gz AGBXYEHMIGZKAU-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CCc3cccs3)C2)CCC1 ZINC001418926689 1374691576 /nfs/dbraw/zinc/69/15/76/1374691576.db2.gz AGBXYEHMIGZKAU-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)(C(=O)NCC1C[NH+](CCCC2CCC2)C1)N1CCCCC1 ZINC001419020136 1374768512 /nfs/dbraw/zinc/76/85/12/1374768512.db2.gz IDGITUAFYNHQOQ-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ncccc1C ZINC001419077929 1374817101 /nfs/dbraw/zinc/81/71/01/1374817101.db2.gz KVGVHAPEATYVNV-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ncccc1C ZINC001419077929 1374817104 /nfs/dbraw/zinc/81/71/04/1374817104.db2.gz KVGVHAPEATYVNV-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001419180044 1374927810 /nfs/dbraw/zinc/92/78/10/1374927810.db2.gz NTHJSLYISPGFJV-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001419180044 1374927814 /nfs/dbraw/zinc/92/78/14/1374927814.db2.gz NTHJSLYISPGFJV-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001419188850 1374933825 /nfs/dbraw/zinc/93/38/25/1374933825.db2.gz GJUOQQAEKUVLGL-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001419188446 1374934575 /nfs/dbraw/zinc/93/45/75/1374934575.db2.gz BYTZLVVCTGOVJC-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cnccc1C ZINC001419195216 1374940621 /nfs/dbraw/zinc/94/06/21/1374940621.db2.gz HWEVSOBYLJMMOR-GOSISDBHSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(F)ccc1C ZINC001419195241 1374940821 /nfs/dbraw/zinc/94/08/21/1374940821.db2.gz YJMGXCYOGALSJW-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001419201782 1374947496 /nfs/dbraw/zinc/94/74/96/1374947496.db2.gz BGWFPOMASHHXEI-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001419266777 1375014640 /nfs/dbraw/zinc/01/46/40/1375014640.db2.gz YRLBVOPJJRXVNW-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCC(F)(F)CC1 ZINC001419272892 1375020106 /nfs/dbraw/zinc/02/01/06/1375020106.db2.gz GTXZOVRKILQSSO-CQSZACIVSA-N 1 3 342.434 2.571 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3F)CC2)CCC1 ZINC001419374084 1375186451 /nfs/dbraw/zinc/18/64/51/1375186451.db2.gz AJAZBRUUGYCUMN-QAQDUYKDSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)CC1 ZINC001419377978 1375193172 /nfs/dbraw/zinc/19/31/72/1375193172.db2.gz PEBMNZFSIMEMBN-WGSAOQKQSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001419385728 1375203360 /nfs/dbraw/zinc/20/33/60/1375203360.db2.gz JJAHWAWJKWYLEO-MOPGFXCFSA-N 1 3 343.515 2.639 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)NCCC2CCN(CCF)CC2)cc1 ZINC001419401264 1375226334 /nfs/dbraw/zinc/22/63/34/1375226334.db2.gz WOSSXADEQMMJHY-UHFFFAOYSA-N 1 3 349.494 2.592 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001419425434 1375256610 /nfs/dbraw/zinc/25/66/10/1375256610.db2.gz VNBOPAITRBWKMG-RBSFLKMASA-N 1 3 337.895 2.980 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC001419425434 1375256614 /nfs/dbraw/zinc/25/66/14/1375256614.db2.gz VNBOPAITRBWKMG-RBSFLKMASA-N 1 3 337.895 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001419429626 1375261612 /nfs/dbraw/zinc/26/16/12/1375261612.db2.gz IGOPDNCDKXAKAS-RWDIZSIFSA-N 1 3 341.499 2.811 20 0 EFADHO C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001419440378 1375276520 /nfs/dbraw/zinc/27/65/20/1375276520.db2.gz AFZDVPIEKGPIGY-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCC1 ZINC001419627621 1375581920 /nfs/dbraw/zinc/58/19/20/1375581920.db2.gz XXZSNNFNHYCMRP-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629507 1375587604 /nfs/dbraw/zinc/58/76/04/1375587604.db2.gz ZHCIAYOLYFYJPV-PBHICJAKSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629507 1375587607 /nfs/dbraw/zinc/58/76/07/1375587607.db2.gz ZHCIAYOLYFYJPV-PBHICJAKSA-N 1 3 334.508 2.914 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc2ccccc21)N(C)C(=O)[C@H]1CCCN1C ZINC001419702543 1375740883 /nfs/dbraw/zinc/74/08/83/1375740883.db2.gz NZDLZPLADRLKTK-OXQOHEQNSA-N 1 3 339.483 2.871 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001419745931 1375805765 /nfs/dbraw/zinc/80/57/65/1375805765.db2.gz BHBQNQIWSSAVAN-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001419745947 1375806118 /nfs/dbraw/zinc/80/61/18/1375806118.db2.gz BHBQNQIWSSAVAN-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001419750085 1375812291 /nfs/dbraw/zinc/81/22/91/1375812291.db2.gz ZOGOJQSUINENRJ-ZWKOTPCHSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccc(Cl)s1 ZINC001419797976 1375897192 /nfs/dbraw/zinc/89/71/92/1375897192.db2.gz VFZCLRMKLOISEX-GFCCVEGCSA-N 1 3 341.908 2.624 20 0 EFADHO Cc1ncccc1CN[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001419805695 1375912301 /nfs/dbraw/zinc/91/23/01/1375912301.db2.gz JWPLBGSDRFJFQB-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1CN[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001419805695 1375912320 /nfs/dbraw/zinc/91/23/20/1375912320.db2.gz JWPLBGSDRFJFQB-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001419816043 1375928595 /nfs/dbraw/zinc/92/85/95/1375928595.db2.gz IGCOHBDVRCYVBD-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCc1ccc(Cl)c(Cl)c1 ZINC001419820833 1375936327 /nfs/dbraw/zinc/93/63/27/1375936327.db2.gz JIFMLFDTKACKPF-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001419843773 1375978473 /nfs/dbraw/zinc/97/84/73/1375978473.db2.gz UBYNVDIBDLAVPG-CZUORRHYSA-N 1 3 341.446 2.805 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+][C@@H](C)c1ccccc1)C(C)C ZINC001419930444 1376146522 /nfs/dbraw/zinc/14/65/22/1376146522.db2.gz WOCFCSDAVRFNIO-KSSFIOAISA-N 1 3 328.460 2.752 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419968387 1376206168 /nfs/dbraw/zinc/20/61/68/1376206168.db2.gz WGMRDPHNVVSLPT-UHFFFAOYSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419968387 1376206174 /nfs/dbraw/zinc/20/61/74/1376206174.db2.gz WGMRDPHNVVSLPT-UHFFFAOYSA-N 1 3 345.531 2.666 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCCN1C ZINC001419974403 1376216500 /nfs/dbraw/zinc/21/65/00/1376216500.db2.gz ZNGDKDSKNXSFRY-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCCN1C ZINC001419974403 1376216507 /nfs/dbraw/zinc/21/65/07/1376216507.db2.gz ZNGDKDSKNXSFRY-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO CCc1cccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001419982529 1376229972 /nfs/dbraw/zinc/22/99/72/1376229972.db2.gz BQXJSGRWJOXPFD-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001420017666 1376289988 /nfs/dbraw/zinc/28/99/88/1376289988.db2.gz IVDDYCKCDWPAHL-IAGOWNOFSA-N 1 3 335.467 2.685 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001420023015 1376302698 /nfs/dbraw/zinc/30/26/98/1376302698.db2.gz POMCBMFVHHHWHQ-AJNJCKRNSA-N 1 3 329.916 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001420078070 1376429298 /nfs/dbraw/zinc/42/92/98/1376429298.db2.gz OAYWLWUIDRRGHZ-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2F)C1 ZINC001420078070 1376429308 /nfs/dbraw/zinc/42/93/08/1376429308.db2.gz OAYWLWUIDRRGHZ-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420246178 1376609940 /nfs/dbraw/zinc/60/99/40/1376609940.db2.gz ZZSMSFZWASQIOB-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420246178 1376609953 /nfs/dbraw/zinc/60/99/53/1376609953.db2.gz ZZSMSFZWASQIOB-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCc2c1cccc2Cl ZINC001420285467 1376667339 /nfs/dbraw/zinc/66/73/39/1376667339.db2.gz VGDDCBGEWPINLT-QGZVFWFLSA-N 1 3 349.906 2.717 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001420307177 1376703395 /nfs/dbraw/zinc/70/33/95/1376703395.db2.gz JHLQEWKZDARWGK-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO CC1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC001420318023 1376724999 /nfs/dbraw/zinc/72/49/99/1376724999.db2.gz JDEBEHGOIBOVOA-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CC1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC001420318023 1376725007 /nfs/dbraw/zinc/72/50/07/1376725007.db2.gz JDEBEHGOIBOVOA-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001420358983 1376801071 /nfs/dbraw/zinc/80/10/71/1376801071.db2.gz QWDPZIPBGMMIAA-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001420358983 1376801087 /nfs/dbraw/zinc/80/10/87/1376801087.db2.gz QWDPZIPBGMMIAA-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001420358987 1376801540 /nfs/dbraw/zinc/80/15/40/1376801540.db2.gz QWDPZIPBGMMIAA-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001420358987 1376801544 /nfs/dbraw/zinc/80/15/44/1376801544.db2.gz QWDPZIPBGMMIAA-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001420502685 1377093720 /nfs/dbraw/zinc/09/37/20/1377093720.db2.gz BPSIYZJUDYJDOI-WFASDCNBSA-N 1 3 327.419 2.559 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001420549989 1377175120 /nfs/dbraw/zinc/17/51/20/1377175120.db2.gz STRAVHMYQYETBQ-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1)CC(C)(C)C ZINC001420549989 1377175122 /nfs/dbraw/zinc/17/51/22/1377175122.db2.gz STRAVHMYQYETBQ-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001420559972 1377197900 /nfs/dbraw/zinc/19/79/00/1377197900.db2.gz YDGBVLLFWIRLPY-MRXNPFEDSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC001420559972 1377197905 /nfs/dbraw/zinc/19/79/05/1377197905.db2.gz YDGBVLLFWIRLPY-MRXNPFEDSA-N 1 3 337.533 2.645 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583068 1377251492 /nfs/dbraw/zinc/25/14/92/1377251492.db2.gz FOPZLJMOWHNQGZ-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583068 1377251494 /nfs/dbraw/zinc/25/14/94/1377251494.db2.gz FOPZLJMOWHNQGZ-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583072 1377251513 /nfs/dbraw/zinc/25/15/13/1377251513.db2.gz FOPZLJMOWHNQGZ-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420583072 1377251517 /nfs/dbraw/zinc/25/15/17/1377251517.db2.gz FOPZLJMOWHNQGZ-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001420598476 1377286170 /nfs/dbraw/zinc/28/61/70/1377286170.db2.gz URFUJNSQMQURMG-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001420615335 1377329637 /nfs/dbraw/zinc/32/96/37/1377329637.db2.gz RONOQNANANRVFA-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001420659714 1377439290 /nfs/dbraw/zinc/43/92/90/1377439290.db2.gz OYJHXRGHGXBYPN-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001420659714 1377439293 /nfs/dbraw/zinc/43/92/93/1377439293.db2.gz OYJHXRGHGXBYPN-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccccc1CN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001420684261 1377499253 /nfs/dbraw/zinc/49/92/53/1377499253.db2.gz AMPKBXALIQCYFD-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001438313126 1388501359 /nfs/dbraw/zinc/50/13/59/1388501359.db2.gz PXJOOXJHEHRZPA-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)C1CCC1 ZINC001420861000 1377792292 /nfs/dbraw/zinc/79/22/92/1377792292.db2.gz PIMHORQYJBDKGF-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)C1CCC1 ZINC001420861000 1377792294 /nfs/dbraw/zinc/79/22/94/1377792294.db2.gz PIMHORQYJBDKGF-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001420876328 1377820211 /nfs/dbraw/zinc/82/02/11/1377820211.db2.gz RBVDWJXGBLQQPS-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001420876328 1377820212 /nfs/dbraw/zinc/82/02/12/1377820212.db2.gz RBVDWJXGBLQQPS-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC[C@H]1CCN(C/C=C\Cl)C1 ZINC001420889240 1377840681 /nfs/dbraw/zinc/84/06/81/1377840681.db2.gz WJPZXAKIPARVNY-OOYWPUHTSA-N 1 3 341.927 2.833 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001420897056 1377853483 /nfs/dbraw/zinc/85/34/83/1377853483.db2.gz UFDXZTUUCPUFNM-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001420897056 1377853494 /nfs/dbraw/zinc/85/34/94/1377853494.db2.gz UFDXZTUUCPUFNM-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001420946934 1377923333 /nfs/dbraw/zinc/92/33/33/1377923333.db2.gz UGRPTSHNCQGAGZ-LJQANCHMSA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001420946934 1377923335 /nfs/dbraw/zinc/92/33/35/1377923335.db2.gz UGRPTSHNCQGAGZ-LJQANCHMSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001420949465 1377927762 /nfs/dbraw/zinc/92/77/62/1377927762.db2.gz ALZQOBZLOGDOFE-LJQANCHMSA-N 1 3 343.515 2.862 20 0 EFADHO CCC(CC)C[N@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001420950520 1377929201 /nfs/dbraw/zinc/92/92/01/1377929201.db2.gz DYAFNLSOOKCWTH-KRWDZBQOSA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[N@@H+](C)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001420950520 1377929202 /nfs/dbraw/zinc/92/92/02/1377929202.db2.gz DYAFNLSOOKCWTH-KRWDZBQOSA-N 1 3 337.552 2.935 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2(NCc3ccc(Cl)cc3)CC2)CC1 ZINC001420982254 1377974007 /nfs/dbraw/zinc/97/40/07/1377974007.db2.gz WWTFNBJWHITGKZ-UHFFFAOYSA-N 1 3 349.906 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001420997916 1377999106 /nfs/dbraw/zinc/99/91/06/1377999106.db2.gz JKVYPDCZVPWTHK-GDBMZVCRSA-N 1 3 332.492 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C[C@H]1C ZINC001421107942 1378136837 /nfs/dbraw/zinc/13/68/37/1378136837.db2.gz PYVJGTFQSRVXKU-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)cc2)C[C@H]1C ZINC001421110308 1378140081 /nfs/dbraw/zinc/14/00/81/1378140081.db2.gz UWWZCLPOLJUOKZ-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)cc2)C[C@H]1C ZINC001421110298 1378140555 /nfs/dbraw/zinc/14/05/55/1378140555.db2.gz UWWZCLPOLJUOKZ-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)NCC1CN(Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001421151224 1378192139 /nfs/dbraw/zinc/19/21/39/1378192139.db2.gz BKVRFHOYJGFTKA-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001421162631 1378208887 /nfs/dbraw/zinc/20/88/87/1378208887.db2.gz MGHJULBWFBYFQP-SFHVURJKSA-N 1 3 331.504 2.540 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)c(C)c1 ZINC001421161933 1378208936 /nfs/dbraw/zinc/20/89/36/1378208936.db2.gz ZWJQQEKRTYDLRO-UHFFFAOYSA-N 1 3 343.515 2.583 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2)C2CCCC2)CCC1 ZINC001421163808 1378210297 /nfs/dbraw/zinc/21/02/97/1378210297.db2.gz CVUZHBUMVSIGJJ-LJQANCHMSA-N 1 3 343.515 2.936 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2cccnc2C)CC1 ZINC001421221316 1378301601 /nfs/dbraw/zinc/30/16/01/1378301601.db2.gz OAZFJLRFEWGYRG-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2cccnc2C)CC1 ZINC001421221316 1378301603 /nfs/dbraw/zinc/30/16/03/1378301603.db2.gz OAZFJLRFEWGYRG-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421233741 1378319905 /nfs/dbraw/zinc/31/99/05/1378319905.db2.gz UWDHTOXDTLDGQB-LNLFQRSKSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421233741 1378319909 /nfs/dbraw/zinc/31/99/09/1378319909.db2.gz UWDHTOXDTLDGQB-LNLFQRSKSA-N 1 3 331.504 2.833 20 0 EFADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC001421300965 1378460316 /nfs/dbraw/zinc/46/03/16/1378460316.db2.gz OYOATLWNSXZPIV-FQEVSTJZSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC001421300965 1378460317 /nfs/dbraw/zinc/46/03/17/1378460317.db2.gz OYOATLWNSXZPIV-FQEVSTJZSA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+]1CCC(C(=O)NC2(CNCc3ccccc3F)CCCC2)CC1 ZINC001438405837 1388565050 /nfs/dbraw/zinc/56/50/50/1388565050.db2.gz VJSIQYLARCADEW-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001421758245 1379089068 /nfs/dbraw/zinc/08/90/68/1379089068.db2.gz IWPPRNGGQUUMAV-WMLDXEAASA-N 1 3 339.911 2.768 20 0 EFADHO C[C@H](CNC/C(Cl)=C\Cl)CNC(=O)CC[NH+]1CCCCC1 ZINC001421765666 1379102946 /nfs/dbraw/zinc/10/29/46/1379102946.db2.gz JOBWRIAQAUAWBQ-OZYJXZHSSA-N 1 3 336.307 2.523 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1)CC(C)(C)C ZINC001421768469 1379108218 /nfs/dbraw/zinc/10/82/18/1379108218.db2.gz VLYOFHINIUXLHB-UHFFFAOYSA-N 1 3 349.494 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)c(F)c2)CC1 ZINC001421824845 1379184756 /nfs/dbraw/zinc/18/47/56/1379184756.db2.gz UXWFZZFYPSACGX-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)c(F)c2)CC1 ZINC001421824845 1379184759 /nfs/dbraw/zinc/18/47/59/1379184759.db2.gz UXWFZZFYPSACGX-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1 ZINC001421854196 1379244385 /nfs/dbraw/zinc/24/43/85/1379244385.db2.gz ZBWUSNXIKTYVRZ-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001421868392 1379271925 /nfs/dbraw/zinc/27/19/25/1379271925.db2.gz DGUXLPDJPATUGE-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001421868392 1379271932 /nfs/dbraw/zinc/27/19/32/1379271932.db2.gz DGUXLPDJPATUGE-INIZCTEOSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001421868386 1379272946 /nfs/dbraw/zinc/27/29/46/1379272946.db2.gz DETPMNMQZIMOQJ-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001421868386 1379272948 /nfs/dbraw/zinc/27/29/48/1379272948.db2.gz DETPMNMQZIMOQJ-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1cccnc1CNC[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001421904990 1379333458 /nfs/dbraw/zinc/33/34/58/1379333458.db2.gz ZDDCQIKIISHWOH-KRWDZBQOSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001438443851 1388605700 /nfs/dbraw/zinc/60/57/00/1388605700.db2.gz YOIIHDXXVJXLQI-BRWVUGGUSA-N 1 3 337.533 2.914 20 0 EFADHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)N(C)C ZINC001422014369 1379482415 /nfs/dbraw/zinc/48/24/15/1379482415.db2.gz ZEWMNYGTHCLTGA-LJQANCHMSA-N 1 3 329.488 2.759 20 0 EFADHO CC[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2)N(C)C ZINC001422014369 1379482420 /nfs/dbraw/zinc/48/24/20/1379482420.db2.gz ZEWMNYGTHCLTGA-LJQANCHMSA-N 1 3 329.488 2.759 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC001422032740 1379518166 /nfs/dbraw/zinc/51/81/66/1379518166.db2.gz RFLRBQPSPQEYHW-APWZRJJASA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001422040495 1379529052 /nfs/dbraw/zinc/52/90/52/1379529052.db2.gz AAZCFZIQKNTXIC-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001422054944 1379547670 /nfs/dbraw/zinc/54/76/70/1379547670.db2.gz CVUCSWYEAJAZRO-UONOGXRCSA-N 1 3 348.318 2.618 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001422056668 1379551429 /nfs/dbraw/zinc/55/14/29/1379551429.db2.gz GCIWXCZEXVASEM-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CC2CC2)CC1 ZINC001422056668 1379551432 /nfs/dbraw/zinc/55/14/32/1379551432.db2.gz GCIWXCZEXVASEM-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001422061719 1379559356 /nfs/dbraw/zinc/55/93/56/1379559356.db2.gz NQEDCXVHDAGHCF-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1ncccc1C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001422110673 1379625846 /nfs/dbraw/zinc/62/58/46/1379625846.db2.gz TYIMGDDXEWQVFD-SFHVURJKSA-N 1 3 348.535 2.598 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1c2ccccc2CCN1CC1CC1)[NH+](C)C ZINC001422175312 1379726547 /nfs/dbraw/zinc/72/65/47/1379726547.db2.gz AWFBDKORUDBHPO-UXHICEINSA-N 1 3 343.515 2.698 20 0 EFADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001422177138 1379730800 /nfs/dbraw/zinc/73/08/00/1379730800.db2.gz SFLCRIAQVRPGNV-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001422177138 1379730803 /nfs/dbraw/zinc/73/08/03/1379730803.db2.gz SFLCRIAQVRPGNV-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2)C1 ZINC001422204131 1379766492 /nfs/dbraw/zinc/76/64/92/1379766492.db2.gz PQBQOHKJLQBMCV-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCN(C)CCc2ccccc2)C1 ZINC001422204131 1379766498 /nfs/dbraw/zinc/76/64/98/1379766498.db2.gz PQBQOHKJLQBMCV-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001422214088 1379784164 /nfs/dbraw/zinc/78/41/64/1379784164.db2.gz SZQQZYPFMKPKKJ-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001422214088 1379784168 /nfs/dbraw/zinc/78/41/68/1379784168.db2.gz SZQQZYPFMKPKKJ-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422215420 1379788226 /nfs/dbraw/zinc/78/82/26/1379788226.db2.gz BXESGFSGRUQRRZ-GOSISDBHSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422215420 1379788229 /nfs/dbraw/zinc/78/82/29/1379788229.db2.gz BXESGFSGRUQRRZ-GOSISDBHSA-N 1 3 325.541 2.791 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001422221828 1379800539 /nfs/dbraw/zinc/80/05/39/1379800539.db2.gz BDSOLZSMCNYHMH-UZLBHIALSA-N 1 3 345.531 2.967 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001422221828 1379800543 /nfs/dbraw/zinc/80/05/43/1379800543.db2.gz BDSOLZSMCNYHMH-UZLBHIALSA-N 1 3 345.531 2.967 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001422262939 1379880069 /nfs/dbraw/zinc/88/00/69/1379880069.db2.gz BEEKTYIQBRARNV-RTBURBONSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422529580 1380261522 /nfs/dbraw/zinc/26/15/22/1380261522.db2.gz OWJRZJLXPBMAIP-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422529580 1380261526 /nfs/dbraw/zinc/26/15/26/1380261526.db2.gz OWJRZJLXPBMAIP-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc2cccnc21 ZINC001422592501 1380390111 /nfs/dbraw/zinc/39/01/11/1380390111.db2.gz XHDFEFWWBOOASH-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc2cccnc21 ZINC001422592501 1380390115 /nfs/dbraw/zinc/39/01/15/1380390115.db2.gz XHDFEFWWBOOASH-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001422747490 1380750019 /nfs/dbraw/zinc/75/00/19/1380750019.db2.gz QZLWJYAFYNEDPK-INIZCTEOSA-N 1 3 335.467 2.686 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422753679 1380759234 /nfs/dbraw/zinc/75/92/34/1380759234.db2.gz SBQHJCJZXZKENC-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422753679 1380759238 /nfs/dbraw/zinc/75/92/38/1380759238.db2.gz SBQHJCJZXZKENC-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422753686 1380759381 /nfs/dbraw/zinc/75/93/81/1380759381.db2.gz SBQHJCJZXZKENC-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422753686 1380759383 /nfs/dbraw/zinc/75/93/83/1380759383.db2.gz SBQHJCJZXZKENC-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422754382 1380761327 /nfs/dbraw/zinc/76/13/27/1380761327.db2.gz JSFMRLRXXQEORQ-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422754382 1380761331 /nfs/dbraw/zinc/76/13/31/1380761331.db2.gz JSFMRLRXXQEORQ-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001422756172 1380764045 /nfs/dbraw/zinc/76/40/45/1380764045.db2.gz QGOUYNKQCVSVEH-PXNSSMCTSA-N 1 3 345.531 2.642 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422816413 1380850143 /nfs/dbraw/zinc/85/01/43/1380850143.db2.gz BBNWUKCLMQHHEI-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001422816413 1380850154 /nfs/dbraw/zinc/85/01/54/1380850154.db2.gz BBNWUKCLMQHHEI-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CN(C)[C@@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001422886141 1381006638 /nfs/dbraw/zinc/00/66/38/1381006638.db2.gz NXGMCDAGWSKTOP-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001438648189 1388718260 /nfs/dbraw/zinc/71/82/60/1388718260.db2.gz FXACYHNUONBISJ-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438653373 1388720915 /nfs/dbraw/zinc/72/09/15/1388720915.db2.gz QITNNVZTGVPBDI-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001423160705 1381473159 /nfs/dbraw/zinc/47/31/59/1381473159.db2.gz PYJVJDCABNCHBV-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO CCCc1ccc(C[NH2+]C2(CNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001423280709 1381740990 /nfs/dbraw/zinc/74/09/90/1381740990.db2.gz MZMDIFHRIGJZPF-QGZVFWFLSA-N 1 3 343.515 2.719 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001423323066 1381783422 /nfs/dbraw/zinc/78/34/22/1381783422.db2.gz MSBUGLKYADGOQH-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001423323066 1381783431 /nfs/dbraw/zinc/78/34/31/1381783431.db2.gz MSBUGLKYADGOQH-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001423328627 1381790842 /nfs/dbraw/zinc/79/08/42/1381790842.db2.gz LKRIYXDVZSXMSU-ZLAMNEIASA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001423328627 1381790845 /nfs/dbraw/zinc/79/08/45/1381790845.db2.gz LKRIYXDVZSXMSU-ZLAMNEIASA-N 1 3 341.927 2.973 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C\Cl)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001423352360 1381829317 /nfs/dbraw/zinc/82/93/17/1381829317.db2.gz XOZFHNDIYSMXPN-ICFKLAHKSA-N 1 3 327.900 2.584 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C ZINC001423367571 1381857315 /nfs/dbraw/zinc/85/73/15/1381857315.db2.gz YOOOJCJUYYMFJI-ZBFHGGJFSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccccc2Cl)C[C@H]1C ZINC001423367571 1381857320 /nfs/dbraw/zinc/85/73/20/1381857320.db2.gz YOOOJCJUYYMFJI-ZBFHGGJFSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423382348 1381883129 /nfs/dbraw/zinc/88/31/29/1381883129.db2.gz IKNWXXQEDWZUDU-MJGOQNOKSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001423446219 1381950790 /nfs/dbraw/zinc/95/07/90/1381950790.db2.gz AAEFNBUXYPEBBG-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423569088 1382085582 /nfs/dbraw/zinc/08/55/82/1382085582.db2.gz AZYOKYLBKUUIQY-IBGZPJMESA-N 1 3 335.467 2.579 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001423575039 1382099543 /nfs/dbraw/zinc/09/95/43/1382099543.db2.gz MVMPGWFDKHEPRS-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001423576162 1382100951 /nfs/dbraw/zinc/10/09/51/1382100951.db2.gz OKCXTANJDVMKLZ-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001423686980 1382290433 /nfs/dbraw/zinc/29/04/33/1382290433.db2.gz BICJBPUSJIXNJI-MHJFOBGBSA-N 1 3 345.531 2.711 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(CF)cc2)C1 ZINC001423950699 1382537875 /nfs/dbraw/zinc/53/78/75/1382537875.db2.gz PRSAYTRZGBRNSF-QFBILLFUSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]C/C=C/c2ccccc2)C1 ZINC001423965012 1382560200 /nfs/dbraw/zinc/56/02/00/1382560200.db2.gz ZWAXIXAEHUQGRY-QYLKWSRPSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]C/C=C/c2ccccc2)C1 ZINC001423965016 1382560863 /nfs/dbraw/zinc/56/08/63/1382560863.db2.gz ZWAXIXAEHUQGRY-YGQKLEOUSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001438772048 1388801055 /nfs/dbraw/zinc/80/10/55/1388801055.db2.gz QCVJDSJFFWPEJU-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001424325111 1382936123 /nfs/dbraw/zinc/93/61/23/1382936123.db2.gz FLXHMTIPDRVJGJ-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001424325111 1382936125 /nfs/dbraw/zinc/93/61/25/1382936125.db2.gz FLXHMTIPDRVJGJ-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001424383357 1382974165 /nfs/dbraw/zinc/97/41/65/1382974165.db2.gz RTTMKPDADROMPM-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCc1ccccc1F ZINC001424485699 1383045186 /nfs/dbraw/zinc/04/51/86/1383045186.db2.gz MCZIYTRXKGMMIV-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425509863 1383675118 /nfs/dbraw/zinc/67/51/18/1383675118.db2.gz OOARFWIZMZPJFF-LJQANCHMSA-N 1 3 340.471 2.596 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001425676036 1383752006 /nfs/dbraw/zinc/75/20/06/1383752006.db2.gz DADAOMYMMFLRRM-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@H]1C ZINC001425907681 1383845088 /nfs/dbraw/zinc/84/50/88/1383845088.db2.gz XJZDCWMXZLPGIG-QAPCUYQASA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001438881571 1388887481 /nfs/dbraw/zinc/88/74/81/1388887481.db2.gz GQUIOHNTNLXAIJ-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1cccc(CCC[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001438881571 1388887486 /nfs/dbraw/zinc/88/74/86/1388887486.db2.gz GQUIOHNTNLXAIJ-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2ccc(Cl)cc2)C1 ZINC001438917499 1388915933 /nfs/dbraw/zinc/91/59/33/1388915933.db2.gz LUDDBIBQHNNQNM-OAHLLOKOSA-N 1 3 337.895 2.572 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)Cc2ccc(Cl)cc2)C1 ZINC001438917499 1388915936 /nfs/dbraw/zinc/91/59/36/1388915936.db2.gz LUDDBIBQHNNQNM-OAHLLOKOSA-N 1 3 337.895 2.572 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001426685451 1384489536 /nfs/dbraw/zinc/48/95/36/1384489536.db2.gz UPSINMHMZOLZAV-OALUTQOASA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001426685451 1384489540 /nfs/dbraw/zinc/48/95/40/1384489540.db2.gz UPSINMHMZOLZAV-OALUTQOASA-N 1 3 346.519 2.587 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439080943 1388985414 /nfs/dbraw/zinc/98/54/14/1388985414.db2.gz GRCFJKZXSWSCTM-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439080943 1388985418 /nfs/dbraw/zinc/98/54/18/1388985418.db2.gz GRCFJKZXSWSCTM-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001439172757 1389030273 /nfs/dbraw/zinc/03/02/73/1389030273.db2.gz CBAYNTKCFQHBCI-CZUORRHYSA-N 1 3 341.446 2.805 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001439256855 1389077203 /nfs/dbraw/zinc/07/72/03/1389077203.db2.gz YSMWUPOSFPSEHO-VHSSKADRSA-N 1 3 335.467 2.638 20 0 EFADHO COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001439364045 1389191483 /nfs/dbraw/zinc/19/14/83/1389191483.db2.gz GXCZTGBZXCHVLN-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001439364045 1389191490 /nfs/dbraw/zinc/19/14/90/1389191490.db2.gz GXCZTGBZXCHVLN-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001439364044 1389191789 /nfs/dbraw/zinc/19/17/89/1389191789.db2.gz GXCZTGBZXCHVLN-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001439364044 1389191793 /nfs/dbraw/zinc/19/17/93/1389191793.db2.gz GXCZTGBZXCHVLN-INIZCTEOSA-N 1 3 349.519 2.610 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001440252715 1389476549 /nfs/dbraw/zinc/47/65/49/1389476549.db2.gz PBJSIFXPLPEOIP-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H](C)c1cccc(C)c1 ZINC001440252715 1389476559 /nfs/dbraw/zinc/47/65/59/1389476559.db2.gz PBJSIFXPLPEOIP-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001440302664 1389515758 /nfs/dbraw/zinc/51/57/58/1389515758.db2.gz OUYQZSVZLDEQFI-GOSISDBHSA-N 1 3 329.488 2.688 20 0 EFADHO CN(CCC[N@H+](C)CC/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001440425931 1389624154 /nfs/dbraw/zinc/62/41/54/1389624154.db2.gz JGSPSRROHXQZDO-HEFNWKINSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)CC/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001440425931 1389624160 /nfs/dbraw/zinc/62/41/60/1389624160.db2.gz JGSPSRROHXQZDO-HEFNWKINSA-N 1 3 343.515 2.964 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]3C2)C1 ZINC001440451806 1389650568 /nfs/dbraw/zinc/65/05/68/1389650568.db2.gz WWRDLUBARGZPKJ-GMNCBBECSA-N 1 3 349.563 2.791 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]3C2)C1 ZINC001440451806 1389650570 /nfs/dbraw/zinc/65/05/70/1389650570.db2.gz WWRDLUBARGZPKJ-GMNCBBECSA-N 1 3 349.563 2.791 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001440467432 1389670094 /nfs/dbraw/zinc/67/00/94/1389670094.db2.gz APLVRIKLOWMOBB-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001440467432 1389670097 /nfs/dbraw/zinc/67/00/97/1389670097.db2.gz APLVRIKLOWMOBB-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001440651368 1389798514 /nfs/dbraw/zinc/79/85/14/1389798514.db2.gz TVLZZOSEVXQDIR-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@H](C)C1 ZINC001440651368 1389798519 /nfs/dbraw/zinc/79/85/19/1389798519.db2.gz TVLZZOSEVXQDIR-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440707491 1389830970 /nfs/dbraw/zinc/83/09/70/1389830970.db2.gz RNAORDSTNVEEAO-KZJSRBBCSA-N 1 3 341.927 2.641 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001440707491 1389830972 /nfs/dbraw/zinc/83/09/72/1389830972.db2.gz RNAORDSTNVEEAO-KZJSRBBCSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001440732669 1389853930 /nfs/dbraw/zinc/85/39/30/1389853930.db2.gz ZUCGUMIBYQRAOX-DAWZGUTISA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001440732669 1389853934 /nfs/dbraw/zinc/85/39/34/1389853934.db2.gz ZUCGUMIBYQRAOX-DAWZGUTISA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001440738305 1389860321 /nfs/dbraw/zinc/86/03/21/1389860321.db2.gz GLOMUENQUGLWNY-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+](CCCF)C2)CC1 ZINC001440738305 1389860326 /nfs/dbraw/zinc/86/03/26/1389860326.db2.gz GLOMUENQUGLWNY-SFHVURJKSA-N 1 3 341.515 2.638 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1C1CC1 ZINC001440943698 1390032031 /nfs/dbraw/zinc/03/20/31/1390032031.db2.gz ZBNFSVDXXNZTIX-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1C1CC1 ZINC001440943698 1390032039 /nfs/dbraw/zinc/03/20/39/1390032039.db2.gz ZBNFSVDXXNZTIX-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001441168109 1391156058 /nfs/dbraw/zinc/15/60/58/1391156058.db2.gz ZPMXZPFNLDLZOF-XLIONFOSSA-N 1 3 345.531 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001441199870 1391175927 /nfs/dbraw/zinc/17/59/27/1391175927.db2.gz DSUQGLZESTUBFP-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H](NCc2ccccc2Cl)C2CC2)CC1 ZINC001441224485 1391192743 /nfs/dbraw/zinc/19/27/43/1391192743.db2.gz FNNHLTROYLAUAB-GOSISDBHSA-N 1 3 349.906 2.666 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC(C)C)C2)N(C)C ZINC001441341666 1391259418 /nfs/dbraw/zinc/25/94/18/1391259418.db2.gz WYNJZAOHYIDSJD-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@H](C)CC(C)C)C2)N(C)C ZINC001441341666 1391259421 /nfs/dbraw/zinc/25/94/21/1391259421.db2.gz WYNJZAOHYIDSJD-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2Cl)C1)N(C)C ZINC001441402641 1391285333 /nfs/dbraw/zinc/28/53/33/1391285333.db2.gz IVWGRFKHHVPVFO-ZQIUZPCESA-N 1 3 337.895 2.725 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001441422533 1391296076 /nfs/dbraw/zinc/29/60/76/1391296076.db2.gz XFNDEQPMRDNFNM-ZHALLVOQSA-N 1 3 347.478 2.782 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC001441447391 1391311819 /nfs/dbraw/zinc/31/18/19/1391311819.db2.gz PAIQSMNWJCHIJI-IHWFROFDSA-N 1 3 343.515 2.683 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC001441447391 1391311826 /nfs/dbraw/zinc/31/18/26/1391311826.db2.gz PAIQSMNWJCHIJI-IHWFROFDSA-N 1 3 343.515 2.683 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001441625566 1391391406 /nfs/dbraw/zinc/39/14/06/1391391406.db2.gz YLBNQZFERUBVSZ-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001444306968 1391469534 /nfs/dbraw/zinc/46/95/34/1391469534.db2.gz KGLFIXAHSCPAGQ-BEFAXECRSA-N 1 3 349.494 2.850 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001444317853 1391470885 /nfs/dbraw/zinc/47/08/85/1391470885.db2.gz GDOZZQODKVHBHU-INIZCTEOSA-N 1 3 331.504 2.575 20 0 EFADHO C[N@H+](CCCc1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506964543 1406515521 /nfs/dbraw/zinc/51/55/21/1406515521.db2.gz LWHFGTVNTZTIQJ-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO C[N@@H+](CCCc1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001506964543 1406515528 /nfs/dbraw/zinc/51/55/28/1406515528.db2.gz LWHFGTVNTZTIQJ-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001447640771 1391723905 /nfs/dbraw/zinc/72/39/05/1391723905.db2.gz UVCIKVLCLGXONK-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@@H](C)C1 ZINC001447640771 1391723912 /nfs/dbraw/zinc/72/39/12/1391723912.db2.gz UVCIKVLCLGXONK-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001447702435 1391737008 /nfs/dbraw/zinc/73/70/08/1391737008.db2.gz GKVRVDLTPQKOJU-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@H]1C ZINC001448023911 1391902908 /nfs/dbraw/zinc/90/29/08/1391902908.db2.gz OULGABUEMWBITC-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001448034813 1391905815 /nfs/dbraw/zinc/90/58/15/1391905815.db2.gz CCASZDYQAXQFEK-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001448034813 1391905818 /nfs/dbraw/zinc/90/58/18/1391905818.db2.gz CCASZDYQAXQFEK-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001448034814 1391905955 /nfs/dbraw/zinc/90/59/55/1391905955.db2.gz CCASZDYQAXQFEK-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001448034814 1391905958 /nfs/dbraw/zinc/90/59/58/1391905958.db2.gz CCASZDYQAXQFEK-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1cccc(CN(C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001448149846 1391989604 /nfs/dbraw/zinc/98/96/04/1391989604.db2.gz WQGVJKIGKKSVFH-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cccc(CN(C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001448149845 1391990529 /nfs/dbraw/zinc/99/05/29/1391990529.db2.gz WQGVJKIGKKSVFH-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC001506978783 1406539322 /nfs/dbraw/zinc/53/93/22/1406539322.db2.gz UMZDHCKGEAQCRG-OAHLLOKOSA-N 1 3 349.441 2.736 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC001506978783 1406539330 /nfs/dbraw/zinc/53/93/30/1406539330.db2.gz UMZDHCKGEAQCRG-OAHLLOKOSA-N 1 3 349.441 2.736 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001448603075 1392095281 /nfs/dbraw/zinc/09/52/81/1392095281.db2.gz JUTSXLBLINKQCU-SFHVURJKSA-N 1 3 332.492 2.749 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001448675744 1392162429 /nfs/dbraw/zinc/16/24/29/1392162429.db2.gz HUANCLIQZIQJSU-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C)cc1 ZINC001449051516 1392236030 /nfs/dbraw/zinc/23/60/30/1392236030.db2.gz XDDSTMSFKIOTOM-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C)cc1 ZINC001449051507 1392236307 /nfs/dbraw/zinc/23/63/07/1392236307.db2.gz XDDSTMSFKIOTOM-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[NH2+][C@H](C)CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC001645848652 1416572867 /nfs/dbraw/zinc/57/28/67/1416572867.db2.gz FXKDCJCJAXOCNP-KGLIPLIRSA-N 1 3 325.884 2.665 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507088374 1406686325 /nfs/dbraw/zinc/68/63/25/1406686325.db2.gz IQIPINXPTGSODT-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001507088749 1406686382 /nfs/dbraw/zinc/68/63/82/1406686382.db2.gz JTZQOQQPTIIVAT-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC001461122070 1396290980 /nfs/dbraw/zinc/29/09/80/1396290980.db2.gz QWWBDOSXDRMKEC-OAHLLOKOSA-N 1 3 328.460 2.907 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507295760 1406860193 /nfs/dbraw/zinc/86/01/93/1406860193.db2.gz DWSWZHMAQKYOOR-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001507295759 1406860484 /nfs/dbraw/zinc/86/04/84/1406860484.db2.gz DWSWZHMAQKYOOR-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H]4CCCC[C@H]43)CC2)CC1 ZINC001469829900 1397057974 /nfs/dbraw/zinc/05/79/74/1397057974.db2.gz OZBURTUAJZNXPU-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001470774367 1397120913 /nfs/dbraw/zinc/12/09/13/1397120913.db2.gz AQRPOWAXSPHNCX-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC001470774367 1397120920 /nfs/dbraw/zinc/12/09/20/1397120920.db2.gz AQRPOWAXSPHNCX-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC001471141282 1397143957 /nfs/dbraw/zinc/14/39/57/1397143957.db2.gz LQHGUYLIHVNOAO-MJGOQNOKSA-N 1 3 346.519 2.597 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C2)cc1 ZINC001471141282 1397143965 /nfs/dbraw/zinc/14/39/65/1397143965.db2.gz LQHGUYLIHVNOAO-MJGOQNOKSA-N 1 3 346.519 2.597 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001473931303 1397352987 /nfs/dbraw/zinc/35/29/87/1397352987.db2.gz GFLCVMLRCQZNAE-HNNXBMFYSA-N 1 3 338.927 2.522 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC001477866445 1397553994 /nfs/dbraw/zinc/55/39/94/1397553994.db2.gz HJSOIVWXYHOSOL-INIZCTEOSA-N 1 3 340.556 2.869 20 0 EFADHO CN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001478537759 1397583472 /nfs/dbraw/zinc/58/34/72/1397583472.db2.gz ZLCRYUICLMLHKY-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001478537759 1397583474 /nfs/dbraw/zinc/58/34/74/1397583474.db2.gz ZLCRYUICLMLHKY-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001478970605 1397598296 /nfs/dbraw/zinc/59/82/96/1397598296.db2.gz MQVCAHVRZFJZFT-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C[C@H]1CCN1CCCF)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479232510 1397628748 /nfs/dbraw/zinc/62/87/48/1397628748.db2.gz FHAOCXODPRWLPU-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@H]1CCN1CCCF)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479232510 1397628749 /nfs/dbraw/zinc/62/87/49/1397628749.db2.gz FHAOCXODPRWLPU-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@@H]1CCN1CC1CCC(F)(F)CC1)C(=O)CCC[NH+](C)C ZINC001479239900 1397632915 /nfs/dbraw/zinc/63/29/15/1397632915.db2.gz AALDOYPKINPWRK-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)N1CCCCCC1 ZINC001479398214 1397714259 /nfs/dbraw/zinc/71/42/59/1397714259.db2.gz GRRYDVBDSNYARI-QLBHFUSHSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001479400802 1397715030 /nfs/dbraw/zinc/71/50/30/1397715030.db2.gz XRLNYDKLKWJGCN-MISYRCLQSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001479828785 1397923663 /nfs/dbraw/zinc/92/36/63/1397923663.db2.gz FCPWCUHTPUCTKE-VQIMIIECSA-N 1 3 340.471 2.554 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001479968185 1398053345 /nfs/dbraw/zinc/05/33/45/1398053345.db2.gz AROSWFOSSLZNGB-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(CC)c2)C1 ZINC001479968185 1398053350 /nfs/dbraw/zinc/05/33/50/1398053350.db2.gz AROSWFOSSLZNGB-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CN(CC(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2)C1CCC1 ZINC001479980452 1398066652 /nfs/dbraw/zinc/06/66/52/1398066652.db2.gz HIVJRJAMQNYSMA-IBGZPJMESA-N 1 3 341.499 2.642 20 0 EFADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001479984403 1398069693 /nfs/dbraw/zinc/06/96/93/1398069693.db2.gz CCAGPUABHIADOH-QGZVFWFLSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)(C(=O)NC[C@H]([NH2+]Cc1ccccc1)C1CC1)N1CCCCC1 ZINC001480019912 1398095889 /nfs/dbraw/zinc/09/58/89/1398095889.db2.gz BQBHVXVCLYGMGO-IBGZPJMESA-N 1 3 343.515 2.936 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001480664920 1398271114 /nfs/dbraw/zinc/27/11/14/1398271114.db2.gz HFRQEQLMAVITKZ-QGZVFWFLSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001480675246 1398276925 /nfs/dbraw/zinc/27/69/25/1398276925.db2.gz FFTZIBIVPIUINQ-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001480711401 1398304332 /nfs/dbraw/zinc/30/43/32/1398304332.db2.gz LMKOLYHYSNJLPC-ZWKOTPCHSA-N 1 3 347.503 2.554 20 0 EFADHO CCN(C/C=C/c1ccccc1)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001493027240 1398373344 /nfs/dbraw/zinc/37/33/44/1398373344.db2.gz DYEJVWJDBVDZGE-JXMROGBWSA-N 1 3 343.515 2.870 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCc1ccccc1 ZINC001493028588 1398374033 /nfs/dbraw/zinc/37/40/33/1398374033.db2.gz NSTDYJFHNKNSDF-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCCN1C(C)C)CCc1ccccc1 ZINC001493028588 1398374037 /nfs/dbraw/zinc/37/40/37/1398374037.db2.gz NSTDYJFHNKNSDF-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001493241073 1398557314 /nfs/dbraw/zinc/55/73/14/1398557314.db2.gz ZEGMTCLOILMBIS-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001493241073 1398557320 /nfs/dbraw/zinc/55/73/20/1398557320.db2.gz ZEGMTCLOILMBIS-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001493256525 1398566781 /nfs/dbraw/zinc/56/67/81/1398566781.db2.gz MSGRUAMFNZTMEO-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001493256525 1398566784 /nfs/dbraw/zinc/56/67/84/1398566784.db2.gz MSGRUAMFNZTMEO-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC001493695467 1398814529 /nfs/dbraw/zinc/81/45/29/1398814529.db2.gz REXZUHUILJHMIA-IAGOWNOFSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493845622 1398918419 /nfs/dbraw/zinc/91/84/19/1398918419.db2.gz ZOZUKRXUUPLVEM-XOYTVWKISA-N 1 3 341.927 2.688 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001494077124 1399116095 /nfs/dbraw/zinc/11/60/95/1399116095.db2.gz UHGYWFHFJKITMU-NVXWUHKLSA-N 1 3 334.508 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001494077124 1399116101 /nfs/dbraw/zinc/11/61/01/1399116101.db2.gz UHGYWFHFJKITMU-NVXWUHKLSA-N 1 3 334.508 2.771 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001494171658 1399186042 /nfs/dbraw/zinc/18/60/42/1399186042.db2.gz KOIWGEQNJADUGH-ROUUACIJSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001494171658 1399186045 /nfs/dbraw/zinc/18/60/45/1399186045.db2.gz KOIWGEQNJADUGH-ROUUACIJSA-N 1 3 331.504 2.870 20 0 EFADHO CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494180221 1399193293 /nfs/dbraw/zinc/19/32/93/1399193293.db2.gz YWGGERPAHBCFMP-SFHVURJKSA-N 1 3 331.504 2.798 20 0 EFADHO CC(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494180221 1399193298 /nfs/dbraw/zinc/19/32/98/1399193298.db2.gz YWGGERPAHBCFMP-SFHVURJKSA-N 1 3 331.504 2.798 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001494195488 1399203314 /nfs/dbraw/zinc/20/33/14/1399203314.db2.gz JNSUSWIMOUVDAW-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001494195488 1399203318 /nfs/dbraw/zinc/20/33/18/1399203318.db2.gz JNSUSWIMOUVDAW-MPNRVQBSSA-N 1 3 341.927 2.782 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1)C1CCC1 ZINC001494559146 1399379163 /nfs/dbraw/zinc/37/91/63/1399379163.db2.gz MUDYSHOODOAGDP-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC/C(Cl)=C/Cl)C2)CC1 ZINC001507412667 1407025317 /nfs/dbraw/zinc/02/53/17/1407025317.db2.gz XHESCZLTHHICNB-DOOVCASASA-N 1 3 348.318 2.522 20 0 EFADHO CC(C)C[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001494661043 1399419670 /nfs/dbraw/zinc/41/96/70/1399419670.db2.gz YPTGXJSOLXJSSH-BZSNNMDCSA-N 1 3 333.520 2.582 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494723275 1399443798 /nfs/dbraw/zinc/44/37/98/1399443798.db2.gz UWDHTOXDTLDGQB-JENIJYKNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001494723275 1399443802 /nfs/dbraw/zinc/44/38/02/1399443802.db2.gz UWDHTOXDTLDGQB-JENIJYKNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@@H](C)CC(C)C)CCCC1 ZINC001495204802 1399735291 /nfs/dbraw/zinc/73/52/91/1399735291.db2.gz GXBMQZCREYEJMG-HNNXBMFYSA-N 1 3 334.508 2.961 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001495380220 1399926247 /nfs/dbraw/zinc/92/62/47/1399926247.db2.gz QCGXTLJTESMIHK-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CCC(CC)C[NH+]1CCC(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001495530732 1400061150 /nfs/dbraw/zinc/06/11/50/1400061150.db2.gz FLIBLGZDHJXABC-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001495744488 1400220143 /nfs/dbraw/zinc/22/01/43/1400220143.db2.gz XCMOVDLBNNVLTA-DOTOQJQBSA-N 1 3 345.531 2.796 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCCC2)cc1 ZINC001495920036 1400356999 /nfs/dbraw/zinc/35/69/99/1400356999.db2.gz ZIKIIQSBGQGCFN-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001495957900 1400381008 /nfs/dbraw/zinc/38/10/08/1400381008.db2.gz GROAIPWOQPRKPG-UHFFFAOYSA-N 1 3 332.492 2.860 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001496079311 1400457662 /nfs/dbraw/zinc/45/76/62/1400457662.db2.gz JINQNTFXETUZED-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001496388513 1400695910 /nfs/dbraw/zinc/69/59/10/1400695910.db2.gz NRACEGLFTMWYDM-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCC=C(Cl)Cl ZINC001496574526 1400838770 /nfs/dbraw/zinc/83/87/70/1400838770.db2.gz HOPMCFWCHVDOLF-CYBMUJFWSA-N 1 3 348.318 2.664 20 0 EFADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717293 1400939245 /nfs/dbraw/zinc/93/92/45/1400939245.db2.gz OBNPKPAUPJPPFA-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717293 1400939247 /nfs/dbraw/zinc/93/92/47/1400939247.db2.gz OBNPKPAUPJPPFA-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001496781350 1400979751 /nfs/dbraw/zinc/97/97/51/1400979751.db2.gz NXNXJMFLMZCINA-SFHVURJKSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001496781350 1400979758 /nfs/dbraw/zinc/97/97/58/1400979758.db2.gz NXNXJMFLMZCINA-SFHVURJKSA-N 1 3 345.531 2.660 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496781368 1400980135 /nfs/dbraw/zinc/98/01/35/1400980135.db2.gz OJUIZOQZFIMSIS-GOSISDBHSA-N 1 3 345.531 2.524 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496781368 1400980140 /nfs/dbraw/zinc/98/01/40/1400980140.db2.gz OJUIZOQZFIMSIS-GOSISDBHSA-N 1 3 345.531 2.524 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001496865179 1401059444 /nfs/dbraw/zinc/05/94/44/1401059444.db2.gz BUMBRYXYPFZXNZ-ACISRZNPSA-N 1 3 339.911 2.538 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001497216886 1401224739 /nfs/dbraw/zinc/22/47/39/1401224739.db2.gz SMFADABFYBBTAN-BLLLJJGKSA-N 1 3 325.522 2.690 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001497217695 1401225631 /nfs/dbraw/zinc/22/56/31/1401225631.db2.gz XAXRSKNXGNZEKT-MLGOLLRUSA-N 1 3 343.874 2.804 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001498053055 1401832829 /nfs/dbraw/zinc/83/28/29/1401832829.db2.gz FNAUJAPQWGVPRD-HNNXBMFYSA-N 1 3 346.519 2.592 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329405 1402012100 /nfs/dbraw/zinc/01/21/00/1402012100.db2.gz JNLBSVKQTFRTTP-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001498382559 1402056623 /nfs/dbraw/zinc/05/66/23/1402056623.db2.gz WKOKQFIIMITVRD-SFHVURJKSA-N 1 3 347.547 2.952 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001498382559 1402056629 /nfs/dbraw/zinc/05/66/29/1402056629.db2.gz WKOKQFIIMITVRD-SFHVURJKSA-N 1 3 347.547 2.952 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1 ZINC001498769580 1402278230 /nfs/dbraw/zinc/27/82/30/1402278230.db2.gz IRGZKUSIMAYQNV-DNVCBOLYSA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C(C)(C)N3CCCCC3)CC2)cc1 ZINC001499227155 1402528418 /nfs/dbraw/zinc/52/84/18/1402528418.db2.gz YCCNKNDSHJQXDG-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001499228898 1402529434 /nfs/dbraw/zinc/52/94/34/1402529434.db2.gz LRFMEWRRFGOLSH-GSDOMDMQSA-N 1 3 339.911 2.632 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001499228898 1402529437 /nfs/dbraw/zinc/52/94/37/1402529437.db2.gz LRFMEWRRFGOLSH-GSDOMDMQSA-N 1 3 339.911 2.632 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001499324815 1402566199 /nfs/dbraw/zinc/56/61/99/1402566199.db2.gz NVHQXKIZJQZOOP-XKGFZTIGSA-N 1 3 339.911 2.774 20 0 EFADHO O=C(NCC1(NC/C=C\Cl)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001499324815 1402566201 /nfs/dbraw/zinc/56/62/01/1402566201.db2.gz NVHQXKIZJQZOOP-XKGFZTIGSA-N 1 3 339.911 2.774 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1)C1CCC1 ZINC001499526904 1402662900 /nfs/dbraw/zinc/66/29/00/1402662900.db2.gz BRSIEBTZKAQFOX-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1)C1CCC1 ZINC001499526904 1402662903 /nfs/dbraw/zinc/66/29/03/1402662903.db2.gz BRSIEBTZKAQFOX-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001499615791 1402720504 /nfs/dbraw/zinc/72/05/04/1402720504.db2.gz HYSOYDYPOUOYLK-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001499615791 1402720508 /nfs/dbraw/zinc/72/05/08/1402720508.db2.gz HYSOYDYPOUOYLK-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)C[C@@H]1C ZINC001499853436 1402821219 /nfs/dbraw/zinc/82/12/19/1402821219.db2.gz NCCLCCPWEQVLRE-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001500253258 1403008926 /nfs/dbraw/zinc/00/89/26/1403008926.db2.gz ATDXSFMWQMENQH-HXUWFJFHSA-N 1 3 343.471 2.855 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001500354025 1403070628 /nfs/dbraw/zinc/07/06/28/1403070628.db2.gz JFFBPENAUVONKN-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CCC(CC)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001500376336 1403083306 /nfs/dbraw/zinc/08/33/06/1403083306.db2.gz LABPNZIKNZDTPQ-IEBWSBKVSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cccnc1CNC[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001501895094 1403860191 /nfs/dbraw/zinc/86/01/91/1403860191.db2.gz XLUOUNWYYATQOX-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)c1 ZINC001501961777 1403907822 /nfs/dbraw/zinc/90/78/22/1403907822.db2.gz KBHCXRHXQXABDE-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)CCCC(C)(C)C)C1 ZINC001502375412 1404115841 /nfs/dbraw/zinc/11/58/41/1404115841.db2.gz KYCJNWXRCZKMRF-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C)C1 ZINC001502375412 1404115847 /nfs/dbraw/zinc/11/58/47/1404115847.db2.gz KYCJNWXRCZKMRF-KRWDZBQOSA-N 1 3 325.541 2.935 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1 ZINC001502402025 1404142355 /nfs/dbraw/zinc/14/23/55/1404142355.db2.gz YYROJKWJWMMDSF-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001502402025 1404142360 /nfs/dbraw/zinc/14/23/60/1404142360.db2.gz YYROJKWJWMMDSF-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2 ZINC001502652650 1404286636 /nfs/dbraw/zinc/28/66/36/1404286636.db2.gz ASDPNXCQBIQSCE-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2 ZINC001502652650 1404286640 /nfs/dbraw/zinc/28/66/40/1404286640.db2.gz ASDPNXCQBIQSCE-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834700 1404390315 /nfs/dbraw/zinc/39/03/15/1404390315.db2.gz PISDAVSSFGZKNU-INIZCTEOSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834700 1404390322 /nfs/dbraw/zinc/39/03/22/1404390322.db2.gz PISDAVSSFGZKNU-INIZCTEOSA-N 1 3 325.541 2.837 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001503004725 1404457475 /nfs/dbraw/zinc/45/74/75/1404457475.db2.gz ZKOYTYHRNINPLM-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001503004725 1404457481 /nfs/dbraw/zinc/45/74/81/1404457481.db2.gz ZKOYTYHRNINPLM-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001503004034 1404457811 /nfs/dbraw/zinc/45/78/11/1404457811.db2.gz VKWADIZDNPFHKO-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@H](C)C1 ZINC001503004034 1404457813 /nfs/dbraw/zinc/45/78/13/1404457813.db2.gz VKWADIZDNPFHKO-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC001503764573 1404508346 /nfs/dbraw/zinc/50/83/46/1404508346.db2.gz SONPTTZBROSMRN-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936166 1405247948 /nfs/dbraw/zinc/24/79/48/1405247948.db2.gz WFBGCJNYTWZZCD-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936166 1405247953 /nfs/dbraw/zinc/24/79/53/1405247953.db2.gz WFBGCJNYTWZZCD-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1C ZINC001506033191 1405379489 /nfs/dbraw/zinc/37/94/89/1405379489.db2.gz DVSQUELZCOREBL-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1C ZINC001506033191 1405379494 /nfs/dbraw/zinc/37/94/94/1405379494.db2.gz DVSQUELZCOREBL-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001506043186 1405393965 /nfs/dbraw/zinc/39/39/65/1405393965.db2.gz LKZOMVDCHVQMFD-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001506043186 1405393974 /nfs/dbraw/zinc/39/39/74/1405393974.db2.gz LKZOMVDCHVQMFD-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001506043635 1405394575 /nfs/dbraw/zinc/39/45/75/1405394575.db2.gz UGGRYWMLRGNEHB-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001506043635 1405394584 /nfs/dbraw/zinc/39/45/84/1405394584.db2.gz UGGRYWMLRGNEHB-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1F ZINC001506065904 1405425632 /nfs/dbraw/zinc/42/56/32/1405425632.db2.gz YGXSPNOFNBWYGL-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1ccc2ncc(C[NH2+]C3CCC(C)(N4CCOCC4)CC3)n2c1 ZINC001551238004 1413969981 /nfs/dbraw/zinc/96/99/81/1413969981.db2.gz GADDNUUJXUKFPD-UHFFFAOYSA-N 1 3 342.487 2.766 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC001551237520 1413970092 /nfs/dbraw/zinc/97/00/92/1413970092.db2.gz QEIMESLXAVOALM-UHFFFAOYSA-N 1 3 330.472 2.840 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnc(Cl)n1C ZINC001551399299 1414062495 /nfs/dbraw/zinc/06/24/95/1414062495.db2.gz LBMHZBINVKRFMF-CBCUQQMYSA-N 1 3 340.899 2.758 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cccc3c2NCC3)CC1 ZINC001551403014 1414063251 /nfs/dbraw/zinc/06/32/51/1414063251.db2.gz PCHFIVYJONCGSH-UHFFFAOYSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@@H+]1C ZINC001552235605 1414383953 /nfs/dbraw/zinc/38/39/53/1414383953.db2.gz VDXFCGUZTCQSJI-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@H+]1C ZINC001552235605 1414383960 /nfs/dbraw/zinc/38/39/60/1414383960.db2.gz VDXFCGUZTCQSJI-QFBILLFUSA-N 1 3 329.488 2.885 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)C1 ZINC001552296075 1414408962 /nfs/dbraw/zinc/40/89/62/1414408962.db2.gz YDPVYMBQAFTGCC-OALUTQOASA-N 1 3 329.488 2.710 20 0 EFADHO CCN1CCC[C@H](NC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001552296075 1414408968 /nfs/dbraw/zinc/40/89/68/1414408968.db2.gz YDPVYMBQAFTGCC-OALUTQOASA-N 1 3 329.488 2.710 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC001552296077 1414409583 /nfs/dbraw/zinc/40/95/83/1414409583.db2.gz YDPVYMBQAFTGCC-RTBURBONSA-N 1 3 329.488 2.710 20 0 EFADHO CCN1CCC[C@@H](NC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)C1 ZINC001552296077 1414409585 /nfs/dbraw/zinc/40/95/85/1414409585.db2.gz YDPVYMBQAFTGCC-RTBURBONSA-N 1 3 329.488 2.710 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC001552303668 1414416445 /nfs/dbraw/zinc/41/64/45/1414416445.db2.gz QXAQVAGTZSOWMX-RBUKOAKNSA-N 1 3 329.488 2.624 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC001552303668 1414416447 /nfs/dbraw/zinc/41/64/47/1414416447.db2.gz QXAQVAGTZSOWMX-RBUKOAKNSA-N 1 3 329.488 2.624 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC001552303666 1414416680 /nfs/dbraw/zinc/41/66/80/1414416680.db2.gz QXAQVAGTZSOWMX-MOPGFXCFSA-N 1 3 329.488 2.624 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001552303666 1414416684 /nfs/dbraw/zinc/41/66/84/1414416684.db2.gz QXAQVAGTZSOWMX-MOPGFXCFSA-N 1 3 329.488 2.624 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)[C@@H]2C1 ZINC001552332451 1414428234 /nfs/dbraw/zinc/42/82/34/1414428234.db2.gz QQSNWLRZYPEQLA-FFZOFVMBSA-N 1 3 341.499 2.662 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)[C@@H]2C1 ZINC001552332451 1414428238 /nfs/dbraw/zinc/42/82/38/1414428238.db2.gz QQSNWLRZYPEQLA-FFZOFVMBSA-N 1 3 341.499 2.662 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552382695 1414444845 /nfs/dbraw/zinc/44/48/45/1414444845.db2.gz UFMIXJJFQINVNY-OXQOHEQNSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC001552523996 1414477418 /nfs/dbraw/zinc/47/74/18/1414477418.db2.gz ISQXFJDCILGTSU-YZGWKJHDSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC001552531199 1414482417 /nfs/dbraw/zinc/48/24/17/1414482417.db2.gz KLJGJAUDKDRCLF-ZIFCJYIRSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC001552531199 1414482422 /nfs/dbraw/zinc/48/24/22/1414482422.db2.gz KLJGJAUDKDRCLF-ZIFCJYIRSA-N 1 3 334.508 2.787 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC001552844615 1414582398 /nfs/dbraw/zinc/58/23/98/1414582398.db2.gz LUFMEUMCMFSGHX-ROUUACIJSA-N 1 3 349.906 2.586 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2[C@H]3CCCN[C@@H]3C2(C)C)C1 ZINC001553023244 1414648612 /nfs/dbraw/zinc/64/86/12/1414648612.db2.gz CEGIETZTFDKGED-GIYDNNGJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)N1CC(F)(F)F ZINC001553305636 1414768859 /nfs/dbraw/zinc/76/88/59/1414768859.db2.gz SJJSHDACJZIXFO-MGLUKCQKSA-N 1 3 333.442 2.864 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001645885605 1416579997 /nfs/dbraw/zinc/57/99/97/1416579997.db2.gz XZHXJBOIXCPCTN-BEFAXECRSA-N 1 3 344.503 2.631 20 0 EFADHO CCOc1cccc(CNC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000126026638 1417185277 /nfs/dbraw/zinc/18/52/77/1417185277.db2.gz SOWMJVIGYPGLTG-UHFFFAOYSA-N 1 3 331.504 2.734 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136604873 1417300393 /nfs/dbraw/zinc/30/03/93/1417300393.db2.gz IWTZYHOJVCDEQM-VQTJNVASSA-N 1 3 332.488 2.943 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCCCc3ccccc3)C2)CCC1 ZINC001713147989 1418337617 /nfs/dbraw/zinc/33/76/17/1418337617.db2.gz RABLNHJUXDXFJG-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2OC(C)C)CC1 ZINC000236883879 1418432272 /nfs/dbraw/zinc/43/22/72/1418432272.db2.gz QUCVBSRWIPDUKQ-SFHVURJKSA-N 1 3 333.520 2.837 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001716189170 1418718959 /nfs/dbraw/zinc/71/89/59/1418718959.db2.gz UVCNWCYXTOUMKR-CRAIPNDOSA-N 1 3 337.483 2.705 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(CC(C)C)s2)CC1 ZINC000162501543 1418763941 /nfs/dbraw/zinc/76/39/41/1418763941.db2.gz QMDBMBFZIYHRCV-MRXNPFEDSA-N 1 3 338.565 2.705 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001717122387 1419224298 /nfs/dbraw/zinc/22/42/98/1419224298.db2.gz CLVJVLNNPZNNMM-ALDOPTNGSA-N 1 3 329.916 2.590 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000165897652 1422316170 /nfs/dbraw/zinc/31/61/70/1422316170.db2.gz BKLFETMATHBFJT-OTWHNJEPSA-N 1 3 329.488 2.675 20 0 EFADHO CC[NH+](CC)C1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC001771671367 1424077445 /nfs/dbraw/zinc/07/74/45/1424077445.db2.gz JKNBRSXBCJWBBR-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000969144747 712934117 /nfs/dbraw/zinc/93/41/17/712934117.db2.gz SISSNBHBUILICV-QZTJIDSGSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC000969144747 712934119 /nfs/dbraw/zinc/93/41/19/712934119.db2.gz SISSNBHBUILICV-QZTJIDSGSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(Cl)cc1 ZINC000969588736 713179734 /nfs/dbraw/zinc/17/97/34/713179734.db2.gz RTLCDALPPYMVMQ-IAOVAPTHSA-N 1 3 335.879 2.686 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000969594997 713182982 /nfs/dbraw/zinc/18/29/82/713182982.db2.gz HBWRERBAYMJUDA-FSPWUOQZSA-N 1 3 347.890 2.612 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000969651799 713204659 /nfs/dbraw/zinc/20/46/59/713204659.db2.gz ALYQLCJVKCQGFY-PXNSSMCTSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000969651799 713204661 /nfs/dbraw/zinc/20/46/61/713204661.db2.gz ALYQLCJVKCQGFY-PXNSSMCTSA-N 1 3 343.515 2.804 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)C1 ZINC000969674190 713213525 /nfs/dbraw/zinc/21/35/25/713213525.db2.gz GYAAHADONNHWKZ-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)C1 ZINC000969674190 713213527 /nfs/dbraw/zinc/21/35/27/713213527.db2.gz GYAAHADONNHWKZ-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)C1 ZINC000969674191 713213579 /nfs/dbraw/zinc/21/35/79/713213579.db2.gz GYAAHADONNHWKZ-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3cccc(F)c3)C2)C1 ZINC000969674191 713213580 /nfs/dbraw/zinc/21/35/80/713213580.db2.gz GYAAHADONNHWKZ-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC000969690057 713218721 /nfs/dbraw/zinc/21/87/21/713218721.db2.gz NUDYEHRRCCELSJ-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC000969690057 713218724 /nfs/dbraw/zinc/21/87/24/713218724.db2.gz NUDYEHRRCCELSJ-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000969700091 713223162 /nfs/dbraw/zinc/22/31/62/713223162.db2.gz OLKDLTLEDDTWLU-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000969700091 713223164 /nfs/dbraw/zinc/22/31/64/713223164.db2.gz OLKDLTLEDDTWLU-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969794010 713264371 /nfs/dbraw/zinc/26/43/71/713264371.db2.gz UBIYTLQCNZQNQF-QFBILLFUSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586369 713265464 /nfs/dbraw/zinc/26/54/64/713265464.db2.gz MWQXXDPVDCUNTQ-MHORFTMASA-N 1 3 329.488 2.777 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC001020586011 713265521 /nfs/dbraw/zinc/26/55/21/713265521.db2.gz CEXIKQGQVVEYSQ-FZKCQIBNSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001020587673 713266619 /nfs/dbraw/zinc/26/66/19/713266619.db2.gz QCECXSSVHJVXRI-LZLXCTOHSA-N 1 3 345.462 2.534 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020589220 713267196 /nfs/dbraw/zinc/26/71/96/713267196.db2.gz ZLALVNUADOXFPA-FVQBIDKESA-N 1 3 349.906 2.727 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001020586565 713267387 /nfs/dbraw/zinc/26/73/87/713267387.db2.gz RFJDVAQDQALMCT-LTCOOKNTSA-N 1 3 333.451 2.608 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001020586631 713267673 /nfs/dbraw/zinc/26/76/73/713267673.db2.gz UIZLHQBNMQDKKT-NSISKUIASA-N 1 3 343.515 2.860 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001020590029 713268665 /nfs/dbraw/zinc/26/86/65/713268665.db2.gz KNTHHVRICNWRGK-ZWOKBUDYSA-N 1 3 347.478 2.636 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)C1 ZINC001020589996 713268686 /nfs/dbraw/zinc/26/86/86/713268686.db2.gz JRIKPKBTELGQLB-CAIZAGQASA-N 1 3 341.499 2.643 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001020589898 713268718 /nfs/dbraw/zinc/26/87/18/713268718.db2.gz HIKQXLKXVMESIF-DSLXNQLJSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1Cl ZINC001020590049 713268829 /nfs/dbraw/zinc/26/88/29/713268829.db2.gz KXKJHJCCHYYMLW-KLHDSHLOSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591135 713269659 /nfs/dbraw/zinc/26/96/59/713269659.db2.gz FIWKPBDKEXBHRI-IYARVYRRSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC001020591324 713269868 /nfs/dbraw/zinc/26/98/68/713269868.db2.gz KWQSLKZTXSHJNG-ZTFGCOKTSA-N 1 3 347.478 2.855 20 0 EFADHO CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001020591560 713270092 /nfs/dbraw/zinc/27/00/92/713270092.db2.gz RFVDRYHRRWMSJA-VNGAXPGBSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC000969845228 713280073 /nfs/dbraw/zinc/28/00/73/713280073.db2.gz WRUPRUIQJCUZIL-MDASCCDHSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC000969845230 713280081 /nfs/dbraw/zinc/28/00/81/713280081.db2.gz WRUPRUIQJCUZIL-NIKGAXFTSA-N 1 3 347.478 2.590 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845186 713280230 /nfs/dbraw/zinc/28/02/30/713280230.db2.gz VMLGQZZWTPZLDY-SZVBFZGTSA-N 1 3 347.503 2.533 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845352 713280289 /nfs/dbraw/zinc/28/02/89/713280289.db2.gz AALPIXLPIXKRHF-RTBURBONSA-N 1 3 331.504 2.526 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000969845441 713280295 /nfs/dbraw/zinc/28/02/95/713280295.db2.gz BYWCLCRKCXTLSF-IAGOWNOFSA-N 1 3 337.895 2.617 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969955287 713321996 /nfs/dbraw/zinc/32/19/96/713321996.db2.gz OOBBKBOFLYHJMB-PKOBYXMFSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000969952365 713322374 /nfs/dbraw/zinc/32/23/74/713322374.db2.gz VLXBQOUNEMBGKX-YLJYHZDGSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC000969955606 713323826 /nfs/dbraw/zinc/32/38/26/713323826.db2.gz QIXRHDNODIWDNE-QFBILLFUSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000969969148 713326822 /nfs/dbraw/zinc/32/68/22/713326822.db2.gz YTVSAQYEKBZDAJ-FUHWJXTLSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC000969985952 713334612 /nfs/dbraw/zinc/33/46/12/713334612.db2.gz PEOUWTWXXXCCKH-GGPKGHCWSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC000969986348 713334864 /nfs/dbraw/zinc/33/48/64/713334864.db2.gz YLLXPNOJHNWUMZ-LMMKCTJWSA-N 1 3 331.504 2.895 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC000969986158 713334866 /nfs/dbraw/zinc/33/48/66/713334866.db2.gz UHGDEQLLJJRIGK-XKQJLSEDSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001020675941 713345715 /nfs/dbraw/zinc/34/57/15/713345715.db2.gz LPAGXUMURKLLIH-FHWLQOOXSA-N 1 3 347.478 2.825 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001020676045 713345975 /nfs/dbraw/zinc/34/59/75/713345975.db2.gz PNBWDRSMDUAVHM-VAMGGRTRSA-N 1 3 343.515 2.995 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001020980639 713465937 /nfs/dbraw/zinc/46/59/37/713465937.db2.gz OXFFTCKWLQSPLX-QAQDUYKDSA-N 1 3 338.455 2.575 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001020981892 713466242 /nfs/dbraw/zinc/46/62/42/713466242.db2.gz RFHGFCVDBSMUIR-ORQFMDKSSA-N 1 3 332.492 2.714 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136471 713473751 /nfs/dbraw/zinc/47/37/51/713473751.db2.gz JRWYEIYVSWRVRM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039136471 713473752 /nfs/dbraw/zinc/47/37/52/713473752.db2.gz JRWYEIYVSWRVRM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001021090187 713562577 /nfs/dbraw/zinc/56/25/77/713562577.db2.gz FPKYKUDCWBBWHK-OHDICMOHSA-N 1 3 347.478 2.766 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)c1 ZINC001021090526 713562602 /nfs/dbraw/zinc/56/26/02/713562602.db2.gz HBCGUICHCWKTRM-WGSAOQKQSA-N 1 3 329.488 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001021092704 713563446 /nfs/dbraw/zinc/56/34/46/713563446.db2.gz QXJJYNAHCHYKJN-FHWLQOOXSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001021096226 713575002 /nfs/dbraw/zinc/57/50/02/713575002.db2.gz JYDHHKJDILVJBR-KZNAEPCWSA-N 1 3 333.520 2.678 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001021096402 713575200 /nfs/dbraw/zinc/57/52/00/713575200.db2.gz RGIURTJCZPMNMX-BQFCYCMXSA-N 1 3 349.906 2.951 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039159296 713603069 /nfs/dbraw/zinc/60/30/69/713603069.db2.gz JLDZEYMNQJSNPM-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039159296 713603072 /nfs/dbraw/zinc/60/30/72/713603072.db2.gz JLDZEYMNQJSNPM-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317809 713627473 /nfs/dbraw/zinc/62/74/73/713627473.db2.gz LASVWOVYMSGWHN-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317809 713627475 /nfs/dbraw/zinc/62/74/75/713627475.db2.gz LASVWOVYMSGWHN-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000970372169 713668106 /nfs/dbraw/zinc/66/81/06/713668106.db2.gz NLSMDBMCNZWHDF-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970527904 713779880 /nfs/dbraw/zinc/77/98/80/713779880.db2.gz AOALZRXVXBMFNJ-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCCC1 ZINC001021399138 713873138 /nfs/dbraw/zinc/87/31/38/713873138.db2.gz AHVILIUPDLRQLS-OOKSDGMUSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCCC1 ZINC001021399138 713873141 /nfs/dbraw/zinc/87/31/41/713873141.db2.gz AHVILIUPDLRQLS-OOKSDGMUSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001021447988 713925286 /nfs/dbraw/zinc/92/52/86/713925286.db2.gz HQQAZISYIWOCJF-AYHJJNSGSA-N 1 3 342.487 2.873 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001021447988 713925290 /nfs/dbraw/zinc/92/52/90/713925290.db2.gz HQQAZISYIWOCJF-AYHJJNSGSA-N 1 3 342.487 2.873 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCCF)c1 ZINC001021466021 713945194 /nfs/dbraw/zinc/94/51/94/713945194.db2.gz IDEAXBQETHKECI-YQQQUEKLSA-N 1 3 347.478 2.833 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)c1 ZINC001021466021 713945196 /nfs/dbraw/zinc/94/51/96/713945196.db2.gz IDEAXBQETHKECI-YQQQUEKLSA-N 1 3 347.478 2.833 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000970788519 713994953 /nfs/dbraw/zinc/99/49/53/713994953.db2.gz NYKNSXVZCLWMGR-QGZVFWFLSA-N 1 3 343.496 2.814 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC000970792504 713997436 /nfs/dbraw/zinc/99/74/36/713997436.db2.gz LOOLTMPEWMVGME-IAGOWNOFSA-N 1 3 347.478 2.953 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)[NH+]1CCCC1 ZINC000970801325 714007791 /nfs/dbraw/zinc/00/77/91/714007791.db2.gz XLSGBGFVTVKFBV-IAGOWNOFSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC000970804310 714013374 /nfs/dbraw/zinc/01/33/74/714013374.db2.gz SFDQOUVCJMLRKL-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO COc1ccccc1N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000325757296 714021777 /nfs/dbraw/zinc/02/17/77/714021777.db2.gz FNUKVCPQGNHNIM-AYHJJNSGSA-N 1 3 329.488 2.738 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980227865 717946097 /nfs/dbraw/zinc/94/60/97/717946097.db2.gz DWYMWAVEEYSKMJ-BZSNNMDCSA-N 1 3 346.519 2.914 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980227865 717946102 /nfs/dbraw/zinc/94/61/02/717946102.db2.gz DWYMWAVEEYSKMJ-BZSNNMDCSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC000980228442 717946559 /nfs/dbraw/zinc/94/65/59/717946559.db2.gz FVVFOUNTROVSEX-YESZJQIVSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC000980228442 717946562 /nfs/dbraw/zinc/94/65/62/717946562.db2.gz FVVFOUNTROVSEX-YESZJQIVSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000980230155 717949669 /nfs/dbraw/zinc/94/96/69/717949669.db2.gz KNEBGWHBOQTULU-FGTMMUONSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000980230155 717949672 /nfs/dbraw/zinc/94/96/72/717949672.db2.gz KNEBGWHBOQTULU-FGTMMUONSA-N 1 3 344.503 2.668 20 0 EFADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970917617 714132248 /nfs/dbraw/zinc/13/22/48/714132248.db2.gz OWLVBCMUNCYHHY-INIZCTEOSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CCCC2)C1 ZINC000970918778 714133922 /nfs/dbraw/zinc/13/39/22/714133922.db2.gz XDVKYJZNPQMZAI-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CCC2CC2)C1 ZINC000970928112 714143268 /nfs/dbraw/zinc/14/32/68/714143268.db2.gz IZUMMFAGQVZSRE-OAHLLOKOSA-N 1 3 329.488 2.598 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCC3)CC[C@H]21)C1CCC1 ZINC001021606559 714169122 /nfs/dbraw/zinc/16/91/22/714169122.db2.gz RIKJNQRYHJFBDZ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCC3)CC[C@H]21)C1CCC1 ZINC001021606559 714169123 /nfs/dbraw/zinc/16/91/23/714169123.db2.gz RIKJNQRYHJFBDZ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980246203 717957931 /nfs/dbraw/zinc/95/79/31/717957931.db2.gz PWTFFAYRUXAPPS-SLFFLAALSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980246203 717957934 /nfs/dbraw/zinc/95/79/34/717957934.db2.gz PWTFFAYRUXAPPS-SLFFLAALSA-N 1 3 343.515 2.987 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@H+](CCC4CC4)CC[C@H]32)C1 ZINC001021664233 714260419 /nfs/dbraw/zinc/26/04/19/714260419.db2.gz AGCGMLNQZWJJII-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CCC4CC4)CC[C@H]32)C1 ZINC001021664233 714260423 /nfs/dbraw/zinc/26/04/23/714260423.db2.gz AGCGMLNQZWJJII-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671577 714275039 /nfs/dbraw/zinc/27/50/39/714275039.db2.gz SYOBFBNLSQSLBO-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671577 714275041 /nfs/dbraw/zinc/27/50/41/714275041.db2.gz SYOBFBNLSQSLBO-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCF)C[C@H]3C2)c1 ZINC000980242668 717972896 /nfs/dbraw/zinc/97/28/96/717972896.db2.gz MJEFMYGXFHSDTQ-GUDVDZBRSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCF)C[C@H]3C2)c1 ZINC000980242668 717972900 /nfs/dbraw/zinc/97/29/00/717972900.db2.gz MJEFMYGXFHSDTQ-GUDVDZBRSA-N 1 3 347.478 2.548 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980249467 717977829 /nfs/dbraw/zinc/97/78/29/717977829.db2.gz ZNQCEYZTGWAKJK-SLFFLAALSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980249467 717977830 /nfs/dbraw/zinc/97/78/30/717977830.db2.gz ZNQCEYZTGWAKJK-SLFFLAALSA-N 1 3 343.515 2.989 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000891349850 714437757 /nfs/dbraw/zinc/43/77/57/714437757.db2.gz XCSWKLXATKMSKK-CVEARBPZSA-N 1 3 338.521 2.524 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980249469 717977900 /nfs/dbraw/zinc/97/79/00/717977900.db2.gz ZNQCEYZTGWAKJK-UFYCRDLUSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980249469 717977905 /nfs/dbraw/zinc/97/79/05/717977905.db2.gz ZNQCEYZTGWAKJK-UFYCRDLUSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207215 714464082 /nfs/dbraw/zinc/46/40/82/714464082.db2.gz AIYOKFWCCCUXHK-ROUUACIJSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccc(Cl)cc2)C1 ZINC000971207215 714464083 /nfs/dbraw/zinc/46/40/83/714464083.db2.gz AIYOKFWCCCUXHK-ROUUACIJSA-N 1 3 349.906 2.509 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000891403244 714624492 /nfs/dbraw/zinc/62/44/92/714624492.db2.gz KPZBITQJPWGKDS-NZSAHSFTSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000971564597 714709962 /nfs/dbraw/zinc/70/99/62/714709962.db2.gz YXQPHOQWWCJAIE-ZTFGCOKTSA-N 1 3 349.906 2.713 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971564597 714709963 /nfs/dbraw/zinc/70/99/63/714709963.db2.gz YXQPHOQWWCJAIE-ZTFGCOKTSA-N 1 3 349.906 2.713 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001022070169 714719561 /nfs/dbraw/zinc/71/95/61/714719561.db2.gz REUQREANTBBXGE-HSALFYBXSA-N 1 3 343.515 2.647 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1)N1CCCCC1 ZINC001022077041 714731312 /nfs/dbraw/zinc/73/13/12/714731312.db2.gz IRLKEQAMRZUCMW-HDICACEKSA-N 1 3 347.478 2.827 20 0 EFADHO CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000891459786 714765931 /nfs/dbraw/zinc/76/59/31/714765931.db2.gz KZFGAXHGTRYJLP-RTBURBONSA-N 1 3 344.503 2.525 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639786 714795323 /nfs/dbraw/zinc/79/53/23/714795323.db2.gz BPEVKFJMMKFRBS-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000971639786 714795325 /nfs/dbraw/zinc/79/53/25/714795325.db2.gz BPEVKFJMMKFRBS-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000971641054 714797396 /nfs/dbraw/zinc/79/73/96/714797396.db2.gz KZFQNJRRUBVICJ-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000971641054 714797397 /nfs/dbraw/zinc/79/73/97/714797397.db2.gz KZFQNJRRUBVICJ-ROUUACIJSA-N 1 3 349.544 2.964 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674723 714870571 /nfs/dbraw/zinc/87/05/71/714870571.db2.gz VTIZURALHHDXEW-CRAIPNDOSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674723 714870575 /nfs/dbraw/zinc/87/05/75/714870575.db2.gz VTIZURALHHDXEW-CRAIPNDOSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674725 714870868 /nfs/dbraw/zinc/87/08/68/714870868.db2.gz VTIZURALHHDXEW-QAPCUYQASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674725 714870869 /nfs/dbraw/zinc/87/08/69/714870869.db2.gz VTIZURALHHDXEW-QAPCUYQASA-N 1 3 347.478 2.904 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675019 714870954 /nfs/dbraw/zinc/87/09/54/714870954.db2.gz WWYZZOGZSIPSQH-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675019 714870957 /nfs/dbraw/zinc/87/09/57/714870957.db2.gz WWYZZOGZSIPSQH-SFHVURJKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971676236 714873804 /nfs/dbraw/zinc/87/38/04/714873804.db2.gz DVZUXZGFOKDQPN-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971676236 714873806 /nfs/dbraw/zinc/87/38/06/714873806.db2.gz DVZUXZGFOKDQPN-VQTJNVASSA-N 1 3 343.515 2.676 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971676232 714873881 /nfs/dbraw/zinc/87/38/81/714873881.db2.gz DUUWIRLADNEKSP-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971676232 714873884 /nfs/dbraw/zinc/87/38/84/714873884.db2.gz DUUWIRLADNEKSP-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000971677946 714875160 /nfs/dbraw/zinc/87/51/60/714875160.db2.gz LJTYQVIRWCZNIB-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC000971677946 714875162 /nfs/dbraw/zinc/87/51/62/714875162.db2.gz LJTYQVIRWCZNIB-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCc4ccccc43)C2)CCC1 ZINC000971679020 714876455 /nfs/dbraw/zinc/87/64/55/714876455.db2.gz PSJHWZQLXWXJLG-HKUYNNGSSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)[C@H]3CCc4ccccc43)C2)CCC1 ZINC000971679020 714876457 /nfs/dbraw/zinc/87/64/57/714876457.db2.gz PSJHWZQLXWXJLG-HKUYNNGSSA-N 1 3 341.499 2.691 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000971679037 714876645 /nfs/dbraw/zinc/87/66/45/714876645.db2.gz QESUUAIKCVFVEJ-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000971679037 714876648 /nfs/dbraw/zinc/87/66/48/714876648.db2.gz QESUUAIKCVFVEJ-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681880 714880334 /nfs/dbraw/zinc/88/03/34/714880334.db2.gz DXNQRQFYYMGSDU-MOPGFXCFSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000971681880 714880337 /nfs/dbraw/zinc/88/03/37/714880337.db2.gz DXNQRQFYYMGSDU-MOPGFXCFSA-N 1 3 347.478 2.507 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC000971687701 714882760 /nfs/dbraw/zinc/88/27/60/714882760.db2.gz ORKVADOGNIJMIM-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC000971687701 714882763 /nfs/dbraw/zinc/88/27/63/714882763.db2.gz ORKVADOGNIJMIM-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000971687667 714883075 /nfs/dbraw/zinc/88/30/75/714883075.db2.gz NXWJGTURNYXBEA-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000971687667 714883076 /nfs/dbraw/zinc/88/30/76/714883076.db2.gz NXWJGTURNYXBEA-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688176 714883298 /nfs/dbraw/zinc/88/32/98/714883298.db2.gz SGMDIKWJDOCBFI-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688176 714883301 /nfs/dbraw/zinc/88/33/01/714883301.db2.gz SGMDIKWJDOCBFI-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688246 714883376 /nfs/dbraw/zinc/88/33/76/714883376.db2.gz VAJMPSKJXNAUTH-ICSRJNTNSA-N 1 3 341.499 2.691 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688246 714883378 /nfs/dbraw/zinc/88/33/78/714883378.db2.gz VAJMPSKJXNAUTH-ICSRJNTNSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684882 714884721 /nfs/dbraw/zinc/88/47/21/714884721.db2.gz JXVDHSZLGSXGGY-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684882 714884725 /nfs/dbraw/zinc/88/47/25/714884725.db2.gz JXVDHSZLGSXGGY-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685731 714885157 /nfs/dbraw/zinc/88/51/57/714885157.db2.gz OSIQQHRQJHCXKT-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685731 714885160 /nfs/dbraw/zinc/88/51/60/714885160.db2.gz OSIQQHRQJHCXKT-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685683 714885172 /nfs/dbraw/zinc/88/51/72/714885172.db2.gz NMRUGUBLVMOOIS-MSOLQXFVSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685683 714885174 /nfs/dbraw/zinc/88/51/74/714885174.db2.gz NMRUGUBLVMOOIS-MSOLQXFVSA-N 1 3 349.906 2.713 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686811 714886283 /nfs/dbraw/zinc/88/62/83/714886283.db2.gz FYHDDVBKKQRCOX-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686811 714886286 /nfs/dbraw/zinc/88/62/86/714886286.db2.gz FYHDDVBKKQRCOX-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971728896 714918585 /nfs/dbraw/zinc/91/85/85/714918585.db2.gz GOMGVMDRKJVAIH-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971728896 714918587 /nfs/dbraw/zinc/91/85/87/714918587.db2.gz GOMGVMDRKJVAIH-OALUTQOASA-N 1 3 331.504 2.614 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971729695 714919326 /nfs/dbraw/zinc/91/93/26/714919326.db2.gz MSNRZYMIFZCVBX-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971729695 714919329 /nfs/dbraw/zinc/91/93/29/714919329.db2.gz MSNRZYMIFZCVBX-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000971777129 714951419 /nfs/dbraw/zinc/95/14/19/714951419.db2.gz AGWYHTKKVCZQGF-DLBZAZTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000971777129 714951421 /nfs/dbraw/zinc/95/14/21/714951421.db2.gz AGWYHTKKVCZQGF-DLBZAZTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000971783618 714955503 /nfs/dbraw/zinc/95/55/03/714955503.db2.gz DIILZPSLFUZPCT-SJLPKXTDSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000971783618 714955506 /nfs/dbraw/zinc/95/55/06/714955506.db2.gz DIILZPSLFUZPCT-SJLPKXTDSA-N 1 3 343.471 2.806 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000971795119 714973424 /nfs/dbraw/zinc/97/34/24/714973424.db2.gz PAJYKZWQCVLHGF-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000971795119 714973425 /nfs/dbraw/zinc/97/34/25/714973425.db2.gz PAJYKZWQCVLHGF-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC000971800712 714989880 /nfs/dbraw/zinc/98/98/80/714989880.db2.gz LLAMCMCQILOFOI-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC000971800712 714989881 /nfs/dbraw/zinc/98/98/81/714989881.db2.gz LLAMCMCQILOFOI-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801742 714994327 /nfs/dbraw/zinc/99/43/27/714994327.db2.gz UWLXFAKCRMZVEZ-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801742 714994328 /nfs/dbraw/zinc/99/43/28/714994328.db2.gz UWLXFAKCRMZVEZ-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000892153811 715277619 /nfs/dbraw/zinc/27/76/19/715277619.db2.gz SYNXCJAVVIMFES-OXJNMPFZSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000892153811 715277620 /nfs/dbraw/zinc/27/76/20/715277620.db2.gz SYNXCJAVVIMFES-OXJNMPFZSA-N 1 3 347.551 2.539 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068945 715289536 /nfs/dbraw/zinc/28/95/36/715289536.db2.gz HMRXHDQJARBZEI-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000972068876 715289677 /nfs/dbraw/zinc/28/96/77/715289677.db2.gz FSTYHKAVFUNKLE-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000926372514 715309516 /nfs/dbraw/zinc/30/95/16/715309516.db2.gz IYYJPNSYZJGLGM-IEBWSBKVSA-N 1 3 338.536 2.654 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027043416 715339412 /nfs/dbraw/zinc/33/94/12/715339412.db2.gz CZVBRWGCDSWYHV-QFBILLFUSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1F ZINC001027045641 715343032 /nfs/dbraw/zinc/34/30/32/715343032.db2.gz WPVYXWKNECLJLH-IEBWSBKVSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001022710552 715397986 /nfs/dbraw/zinc/39/79/86/715397986.db2.gz JIZLUPVURLOXBK-YTQUADARSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712228 715407949 /nfs/dbraw/zinc/40/79/49/715407949.db2.gz MWQXXDPVDCUNTQ-XDNAFOTISA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001022712217 715408176 /nfs/dbraw/zinc/40/81/76/715408176.db2.gz MRQBDZANWJJEAI-BOLBYERCSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC001022711702 715408986 /nfs/dbraw/zinc/40/89/86/715408986.db2.gz CRXDLKAOXCIPKD-DFEHZGFQSA-N 1 3 333.451 2.608 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001027069285 715409418 /nfs/dbraw/zinc/40/94/18/715409418.db2.gz PCKOTFKMEXXZPX-OCCSQVGLSA-N 1 3 343.924 2.680 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001027068940 715409769 /nfs/dbraw/zinc/40/97/69/715409769.db2.gz HRFJZHXMKSZFNS-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712017 715410082 /nfs/dbraw/zinc/41/00/82/715410082.db2.gz IHNMCPYHRUKOOD-AHRSYUTCSA-N 1 3 343.515 2.513 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712018 715410290 /nfs/dbraw/zinc/41/02/90/715410290.db2.gz IHNMCPYHRUKOOD-FFZOFVMBSA-N 1 3 343.515 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001022712555 715411481 /nfs/dbraw/zinc/41/14/81/715411481.db2.gz UAZUCYGHUZDUAJ-RWMBFGLXSA-N 1 3 341.908 2.623 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001022712635 715412147 /nfs/dbraw/zinc/41/21/47/715412147.db2.gz VYGIISVFWOZIHN-XUWVNRHRSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001022712639 715412269 /nfs/dbraw/zinc/41/22/69/715412269.db2.gz WADYIUQKPVELDP-OAOYMFHYSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001022712592 715412342 /nfs/dbraw/zinc/41/23/42/715412342.db2.gz VCEFJCHWCXATCR-RRQGHBQHSA-N 1 3 335.879 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001022712634 715412366 /nfs/dbraw/zinc/41/23/66/715412366.db2.gz VYGIISVFWOZIHN-QXSJWSMHSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001022712774 715412888 /nfs/dbraw/zinc/41/28/88/715412888.db2.gz ZKMAUWCYJYYZDG-OLMNPRSZSA-N 1 3 349.906 2.604 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027062861 715414199 /nfs/dbraw/zinc/41/41/99/715414199.db2.gz CTTOBGLLEQJBCA-MSOLQXFVSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001027062985 715414565 /nfs/dbraw/zinc/41/45/65/715414565.db2.gz GFIDVBLXIKXHCJ-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001027062983 715414673 /nfs/dbraw/zinc/41/46/73/715414673.db2.gz GFIDVBLXIKXHCJ-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027062864 715414749 /nfs/dbraw/zinc/41/47/49/715414749.db2.gz CTTOBGLLEQJBCA-ZWKOTPCHSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027063551 715415919 /nfs/dbraw/zinc/41/59/19/715415919.db2.gz NIOZYYXJDZYZEN-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001027063469 715415975 /nfs/dbraw/zinc/41/59/75/715415975.db2.gz LOBGQTKXJUMALZ-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001027063468 715415993 /nfs/dbraw/zinc/41/59/93/715415993.db2.gz LOBGQTKXJUMALZ-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1Cl ZINC001022713592 715416687 /nfs/dbraw/zinc/41/66/87/715416687.db2.gz KXKJHJCCHYYMLW-XUWVNRHRSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063840 715417290 /nfs/dbraw/zinc/41/72/90/715417290.db2.gz SZQCOJJWEWGUTP-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063956 715417731 /nfs/dbraw/zinc/41/77/31/715417731.db2.gz WCHQIUFJAQPXFC-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001027064135 715418487 /nfs/dbraw/zinc/41/84/87/715418487.db2.gz YDFCXIKAOZRJLN-APWZRJJASA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC001027065268 715420639 /nfs/dbraw/zinc/42/06/39/715420639.db2.gz VAUSCJGRNARITD-JKSUJKDBSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001027065395 715421017 /nfs/dbraw/zinc/42/10/17/715421017.db2.gz XYJPIVNBFBHYPL-DOTOQJQBSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065448 715421183 /nfs/dbraw/zinc/42/11/83/715421183.db2.gz YWJOWOQCFLGCJG-IEBWSBKVSA-N 1 3 335.536 2.737 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001027066015 715421901 /nfs/dbraw/zinc/42/19/01/715421901.db2.gz KARUPBLWVWZKBS-CTWPCTMYSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc4ccccc4o3)C2)C1 ZINC001022715495 715426634 /nfs/dbraw/zinc/42/66/34/715426634.db2.gz JHUBWLAXENKMBP-OIISXLGYSA-N 1 3 341.455 2.511 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892255259 715432277 /nfs/dbraw/zinc/43/22/77/715432277.db2.gz XWNLFJKXWZMRNR-AYHJJNSGSA-N 1 3 328.504 2.784 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000892255259 715432278 /nfs/dbraw/zinc/43/22/78/715432278.db2.gz XWNLFJKXWZMRNR-AYHJJNSGSA-N 1 3 328.504 2.784 20 0 EFADHO CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001022717141 715435592 /nfs/dbraw/zinc/43/55/92/715435592.db2.gz RFVDRYHRRWMSJA-OWCVQMPJSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001022717512 715437282 /nfs/dbraw/zinc/43/72/82/715437282.db2.gz ZRPNDAJKMWVSQX-YTQUADARSA-N 1 3 335.536 2.926 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331250 715466297 /nfs/dbraw/zinc/46/62/97/715466297.db2.gz DTRXOPKTNZXHOR-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331250 715466302 /nfs/dbraw/zinc/46/63/02/715466302.db2.gz DTRXOPKTNZXHOR-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332913 715471124 /nfs/dbraw/zinc/47/11/24/715471124.db2.gz RXKZWZUMEVEPPV-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332913 715471126 /nfs/dbraw/zinc/47/11/26/715471126.db2.gz RXKZWZUMEVEPPV-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000892259825 715488333 /nfs/dbraw/zinc/48/83/33/715488333.db2.gz DGDKCPJKHUUKDB-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000892259825 715488335 /nfs/dbraw/zinc/48/83/35/715488335.db2.gz DGDKCPJKHUUKDB-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1Cl ZINC001027090111 715542306 /nfs/dbraw/zinc/54/23/06/715542306.db2.gz KMAXQEVAHWRLPU-ZIAGYGMSSA-N 1 3 346.862 2.805 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972265575 715612205 /nfs/dbraw/zinc/61/22/05/715612205.db2.gz MSNRZYMIFZCVBX-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972265575 715612208 /nfs/dbraw/zinc/61/22/08/715612208.db2.gz MSNRZYMIFZCVBX-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972267162 715614419 /nfs/dbraw/zinc/61/44/19/715614419.db2.gz SMQSLBSSNXWJLO-UYAOXDASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972267162 715614424 /nfs/dbraw/zinc/61/44/24/715614424.db2.gz SMQSLBSSNXWJLO-UYAOXDASSA-N 1 3 345.531 2.922 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001027139284 715682927 /nfs/dbraw/zinc/68/29/27/715682927.db2.gz FKLBSSWCFYLLHE-RBUKOAKNSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325921 715691605 /nfs/dbraw/zinc/69/16/05/715691605.db2.gz DYHXKUPCMOKUCL-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325921 715691608 /nfs/dbraw/zinc/69/16/08/715691608.db2.gz DYHXKUPCMOKUCL-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325921 715691610 /nfs/dbraw/zinc/69/16/10/715691610.db2.gz DYHXKUPCMOKUCL-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325921 715691612 /nfs/dbraw/zinc/69/16/12/715691612.db2.gz DYHXKUPCMOKUCL-MAUKXSAKSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000972329998 715697716 /nfs/dbraw/zinc/69/77/16/715697716.db2.gz CTTAPUJOWKYYGB-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000972329998 715697718 /nfs/dbraw/zinc/69/77/18/715697718.db2.gz CTTAPUJOWKYYGB-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(C)s1 ZINC000972331172 715700251 /nfs/dbraw/zinc/70/02/51/715700251.db2.gz IRWJDRADKACDAW-KBXCAEBGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(C)s1 ZINC000972331172 715700254 /nfs/dbraw/zinc/70/02/54/715700254.db2.gz IRWJDRADKACDAW-KBXCAEBGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972332047 715702253 /nfs/dbraw/zinc/70/22/53/715702253.db2.gz AHDOOHQUFLJOGP-LPHOPBHVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972332047 715702255 /nfs/dbraw/zinc/70/22/55/715702255.db2.gz AHDOOHQUFLJOGP-LPHOPBHVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000972332245 715703151 /nfs/dbraw/zinc/70/31/51/715703151.db2.gz BLTNZKNQSPBASH-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000972332245 715703156 /nfs/dbraw/zinc/70/31/56/715703156.db2.gz BLTNZKNQSPBASH-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000972331708 715703652 /nfs/dbraw/zinc/70/36/52/715703652.db2.gz LTNFDAKHQHIWPD-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000972331708 715703656 /nfs/dbraw/zinc/70/36/56/715703656.db2.gz LTNFDAKHQHIWPD-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000972331485 715703762 /nfs/dbraw/zinc/70/37/62/715703762.db2.gz LIYRDJLTHPDQGC-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000972331485 715703765 /nfs/dbraw/zinc/70/37/65/715703765.db2.gz LIYRDJLTHPDQGC-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331457 715704043 /nfs/dbraw/zinc/70/40/43/715704043.db2.gz KZDMIVVRTAIJQH-VQIMIIECSA-N 1 3 347.478 2.673 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC000972331457 715704046 /nfs/dbraw/zinc/70/40/46/715704046.db2.gz KZDMIVVRTAIJQH-VQIMIIECSA-N 1 3 347.478 2.673 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001027139682 715705433 /nfs/dbraw/zinc/70/54/33/715705433.db2.gz OQZIPWXXXSVOAJ-GOSISDBHSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC001027139940 715706138 /nfs/dbraw/zinc/70/61/38/715706138.db2.gz USAZKLKIKVYDNQ-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334150 715707151 /nfs/dbraw/zinc/70/71/51/715707151.db2.gz DXVNVCAPZSABEF-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334150 715707154 /nfs/dbraw/zinc/70/71/54/715707154.db2.gz DXVNVCAPZSABEF-MJGOQNOKSA-N 1 3 347.547 2.831 20 0 EFADHO C[N@H+](CC1CCC1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334206 715707345 /nfs/dbraw/zinc/70/73/45/715707345.db2.gz FUTPVYXETPMTDJ-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CCC1)[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334206 715707347 /nfs/dbraw/zinc/70/73/47/715707347.db2.gz FUTPVYXETPMTDJ-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334161 715707823 /nfs/dbraw/zinc/70/78/23/715707823.db2.gz DZJXCTDXVATXJE-MAUKXSAKSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334161 715707828 /nfs/dbraw/zinc/70/78/28/715707828.db2.gz DZJXCTDXVATXJE-MAUKXSAKSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972334601 715708518 /nfs/dbraw/zinc/70/85/18/715708518.db2.gz INGODBWYFOGUMB-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972334601 715708521 /nfs/dbraw/zinc/70/85/21/715708521.db2.gz INGODBWYFOGUMB-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cs1 ZINC000972333235 715709990 /nfs/dbraw/zinc/70/99/90/715709990.db2.gz UXBMZRFYNBKGDK-WMLDXEAASA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cs1 ZINC000972333235 715709994 /nfs/dbraw/zinc/70/99/94/715709994.db2.gz UXBMZRFYNBKGDK-WMLDXEAASA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333532 715710659 /nfs/dbraw/zinc/71/06/59/715710659.db2.gz WRTMMKVTBPFBMG-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333532 715710661 /nfs/dbraw/zinc/71/06/61/715710661.db2.gz WRTMMKVTBPFBMG-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336052 715711502 /nfs/dbraw/zinc/71/15/02/715711502.db2.gz UOCOLFFHRXOYCH-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336052 715711504 /nfs/dbraw/zinc/71/15/04/715711504.db2.gz UOCOLFFHRXOYCH-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972336516 715712783 /nfs/dbraw/zinc/71/27/83/715712783.db2.gz XVQCDPMPOUNCDI-HNAYVOBHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972336516 715712786 /nfs/dbraw/zinc/71/27/86/715712786.db2.gz XVQCDPMPOUNCDI-HNAYVOBHSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414339 715715438 /nfs/dbraw/zinc/71/54/38/715715438.db2.gz MZERRYLRJZKJMH-MSOLQXFVSA-N 1 3 347.528 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000972355373 715741639 /nfs/dbraw/zinc/74/16/39/715741639.db2.gz UZSRTLMKFZNLBK-MJGOQNOKSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000972355373 715741642 /nfs/dbraw/zinc/74/16/42/715741642.db2.gz UZSRTLMKFZNLBK-MJGOQNOKSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000972355372 715741839 /nfs/dbraw/zinc/74/18/39/715741839.db2.gz UZSRTLMKFZNLBK-HKUYNNGSSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000972355372 715741844 /nfs/dbraw/zinc/74/18/44/715741844.db2.gz UZSRTLMKFZNLBK-HKUYNNGSSA-N 1 3 331.504 2.676 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001009630463 715758422 /nfs/dbraw/zinc/75/84/22/715758422.db2.gz WGCKLGRQWBUJTE-TVPLGVNVSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001009630463 715758424 /nfs/dbraw/zinc/75/84/24/715758424.db2.gz WGCKLGRQWBUJTE-TVPLGVNVSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001027440611 715809168 /nfs/dbraw/zinc/80/91/68/715809168.db2.gz JJHMXUOTJCMYKW-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001027440611 715809174 /nfs/dbraw/zinc/80/91/74/715809174.db2.gz JJHMXUOTJCMYKW-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001027441497 715811853 /nfs/dbraw/zinc/81/18/53/715811853.db2.gz ULWWMIQRJQEJCX-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001027441497 715811858 /nfs/dbraw/zinc/81/18/58/715811858.db2.gz ULWWMIQRJQEJCX-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1)C1CCC1 ZINC001027441916 715812048 /nfs/dbraw/zinc/81/20/48/715812048.db2.gz MMUWPHZIHYMJHE-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1)C1CCC1 ZINC001027441916 715812053 /nfs/dbraw/zinc/81/20/53/715812053.db2.gz MMUWPHZIHYMJHE-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001027441672 715812142 /nfs/dbraw/zinc/81/21/42/715812142.db2.gz IZZXZERJCURUMI-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001027441672 715812146 /nfs/dbraw/zinc/81/21/46/715812146.db2.gz IZZXZERJCURUMI-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001027440308 715815655 /nfs/dbraw/zinc/81/56/55/715815655.db2.gz CDBVNKLXDFMECD-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001027440308 715815660 /nfs/dbraw/zinc/81/56/60/715815660.db2.gz CDBVNKLXDFMECD-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001027440307 715815989 /nfs/dbraw/zinc/81/59/89/715815989.db2.gz CDBVNKLXDFMECD-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001027440307 715815993 /nfs/dbraw/zinc/81/59/93/715815993.db2.gz CDBVNKLXDFMECD-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443394 715817515 /nfs/dbraw/zinc/81/75/15/715817515.db2.gz LMYWGNQMOLIQRE-OALUTQOASA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CC1 ZINC001027443394 715817519 /nfs/dbraw/zinc/81/75/19/715817519.db2.gz LMYWGNQMOLIQRE-OALUTQOASA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443777 715818215 /nfs/dbraw/zinc/81/82/15/715818215.db2.gz NYTKDIZMEKXCRE-FUHWJXTLSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443777 715818218 /nfs/dbraw/zinc/81/82/18/715818218.db2.gz NYTKDIZMEKXCRE-FUHWJXTLSA-N 1 3 349.544 2.554 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027444077 715819729 /nfs/dbraw/zinc/81/97/29/715819729.db2.gz QFBOXPYNYWLPLC-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027444077 715819733 /nfs/dbraw/zinc/81/97/33/715819733.db2.gz QFBOXPYNYWLPLC-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444289 715820253 /nfs/dbraw/zinc/82/02/53/715820253.db2.gz QTFXFCNEKGUTQK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444289 715820258 /nfs/dbraw/zinc/82/02/58/715820258.db2.gz QTFXFCNEKGUTQK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027452363 715851249 /nfs/dbraw/zinc/85/12/49/715851249.db2.gz NFELKVIMTJDHHJ-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027452363 715851255 /nfs/dbraw/zinc/85/12/55/715851255.db2.gz NFELKVIMTJDHHJ-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027453052 715853408 /nfs/dbraw/zinc/85/34/08/715853408.db2.gz YMNBSFUIHBZHGN-ROUUACIJSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027453052 715853414 /nfs/dbraw/zinc/85/34/14/715853414.db2.gz YMNBSFUIHBZHGN-ROUUACIJSA-N 1 3 337.552 2.932 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429662 715881665 /nfs/dbraw/zinc/88/16/65/715881665.db2.gz MTNBBNRKHKGAIB-WBVHZDCISA-N 1 3 326.444 2.555 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429662 715881674 /nfs/dbraw/zinc/88/16/74/715881674.db2.gz MTNBBNRKHKGAIB-WBVHZDCISA-N 1 3 326.444 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027462468 715886091 /nfs/dbraw/zinc/88/60/91/715886091.db2.gz YLFCKFDWACIZHX-RBUKOAKNSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027462468 715886096 /nfs/dbraw/zinc/88/60/96/715886096.db2.gz YLFCKFDWACIZHX-RBUKOAKNSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027460575 715890125 /nfs/dbraw/zinc/89/01/25/715890125.db2.gz KVWZVAUSWJKSSJ-IAGOWNOFSA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027460575 715890130 /nfs/dbraw/zinc/89/01/30/715890130.db2.gz KVWZVAUSWJKSSJ-IAGOWNOFSA-N 1 3 337.533 2.820 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)C1CC1 ZINC000985467056 724432934 /nfs/dbraw/zinc/43/29/34/724432934.db2.gz HDQDNYMNUCXBKQ-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)C1CC1 ZINC000985467056 724432935 /nfs/dbraw/zinc/43/29/35/724432935.db2.gz HDQDNYMNUCXBKQ-IBGZPJMESA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC000985467500 724434301 /nfs/dbraw/zinc/43/43/01/724434301.db2.gz KATIVEZMKLNGSU-SFHVURJKSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC000985467500 724434303 /nfs/dbraw/zinc/43/43/03/724434303.db2.gz KATIVEZMKLNGSU-SFHVURJKSA-N 1 3 335.536 2.686 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001027234623 715946741 /nfs/dbraw/zinc/94/67/41/715946741.db2.gz ANZAEJFQEHPKCC-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001027235207 715958135 /nfs/dbraw/zinc/95/81/35/715958135.db2.gz MDIHWEZJRYOSSE-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)CCC1 ZINC000985469552 724439304 /nfs/dbraw/zinc/43/93/04/724439304.db2.gz GCABXAIZDARUGG-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)CCC1 ZINC000985469552 724439305 /nfs/dbraw/zinc/43/93/05/724439305.db2.gz GCABXAIZDARUGG-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cs1 ZINC000985468209 724440629 /nfs/dbraw/zinc/44/06/29/724440629.db2.gz SFPSVJASDNDPPK-GOSISDBHSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cs1 ZINC000985468209 724440630 /nfs/dbraw/zinc/44/06/30/724440630.db2.gz SFPSVJASDNDPPK-GOSISDBHSA-N 1 3 349.544 2.820 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972481899 716011706 /nfs/dbraw/zinc/01/17/06/716011706.db2.gz CCPXMLIWIVNZJF-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CN(C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC000893492114 716033158 /nfs/dbraw/zinc/03/31/58/716033158.db2.gz MXBBVOSWGMZKFA-DAWZGUTISA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001022976972 716047197 /nfs/dbraw/zinc/04/71/97/716047197.db2.gz PIRSVKJGNLQYSL-YHUYYLMFSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001022976972 716047202 /nfs/dbraw/zinc/04/72/02/716047202.db2.gz PIRSVKJGNLQYSL-YHUYYLMFSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001023024968 716093826 /nfs/dbraw/zinc/09/38/26/716093826.db2.gz OGDFQIAYQUNSML-CWRNSKLLSA-N 1 3 326.444 2.567 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001023024645 716093947 /nfs/dbraw/zinc/09/39/47/716093947.db2.gz CZFNKCKABCTOMP-RRQGHBQHSA-N 1 3 326.444 2.567 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001023024641 716093975 /nfs/dbraw/zinc/09/39/75/716093975.db2.gz CUAAAKPUILVPLV-HDICACEKSA-N 1 3 340.471 2.650 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001023086317 716141364 /nfs/dbraw/zinc/14/13/64/716141364.db2.gz ICYMLCZISCZJIT-ZQDZILKHSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001023086317 716141367 /nfs/dbraw/zinc/14/13/67/716141367.db2.gz ICYMLCZISCZJIT-ZQDZILKHSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023124297 716163127 /nfs/dbraw/zinc/16/31/27/716163127.db2.gz FBPQLMPMYVRWOV-PBWTXFEYSA-N 1 3 333.520 2.987 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001023124629 716163546 /nfs/dbraw/zinc/16/35/46/716163546.db2.gz JQYNLFOZZMAYFO-NFQUHZNNSA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001023125848 716163676 /nfs/dbraw/zinc/16/36/76/716163676.db2.gz ZLBOEXBCVDNYEK-QGZVKYPTSA-N 1 3 343.515 2.647 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001023128722 716165163 /nfs/dbraw/zinc/16/51/63/716165163.db2.gz QCQQDIFBQRFQGX-CEXWTWQISA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001023130620 716165817 /nfs/dbraw/zinc/16/58/17/716165817.db2.gz XCXHVSSZHHGOAI-OTWHNJEPSA-N 1 3 347.478 2.767 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001023130501 716165825 /nfs/dbraw/zinc/16/58/25/716165825.db2.gz RGEAQVVWMUFKBG-SAJCDORXSA-N 1 3 329.488 2.645 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001023131028 716166098 /nfs/dbraw/zinc/16/60/98/716166098.db2.gz UCEAKPSQEBKDPJ-SCTDSRPQSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001023131101 716166282 /nfs/dbraw/zinc/16/62/82/716166282.db2.gz UXEBTUJOOGUKCL-KSZLIROESA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001023130958 716166299 /nfs/dbraw/zinc/16/62/99/716166299.db2.gz PJWQGGZLSYOPOR-KSZLIROESA-N 1 3 349.906 2.951 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC001027629054 716201766 /nfs/dbraw/zinc/20/17/66/716201766.db2.gz RJOLROPMDUUZGA-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001027629054 716201771 /nfs/dbraw/zinc/20/17/71/716201771.db2.gz RJOLROPMDUUZGA-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCCF)CC1(C)C ZINC000977447511 716224076 /nfs/dbraw/zinc/22/40/76/716224076.db2.gz FASXJNMXTDKXTR-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977447511 716224078 /nfs/dbraw/zinc/22/40/78/716224078.db2.gz FASXJNMXTDKXTR-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC000977447503 716224125 /nfs/dbraw/zinc/22/41/25/716224125.db2.gz FASXJNMXTDKXTR-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977447503 716224128 /nfs/dbraw/zinc/22/41/28/716224128.db2.gz FASXJNMXTDKXTR-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977451479 716228604 /nfs/dbraw/zinc/22/86/04/716228604.db2.gz JFFMQGHIJAJWQQ-RTBURBONSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977451479 716228608 /nfs/dbraw/zinc/22/86/08/716228608.db2.gz JFFMQGHIJAJWQQ-RTBURBONSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC001027651830 716330770 /nfs/dbraw/zinc/33/07/70/716330770.db2.gz OFFWDGFNORUDRI-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001027651830 716330774 /nfs/dbraw/zinc/33/07/74/716330774.db2.gz OFFWDGFNORUDRI-FUHWJXTLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001027651831 716330950 /nfs/dbraw/zinc/33/09/50/716330950.db2.gz OFFWDGFNORUDRI-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001027651831 716330954 /nfs/dbraw/zinc/33/09/54/716330954.db2.gz OFFWDGFNORUDRI-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650570 716339080 /nfs/dbraw/zinc/33/90/80/716339080.db2.gz HGAFWMUXQGMJQM-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650570 716339086 /nfs/dbraw/zinc/33/90/86/716339086.db2.gz HGAFWMUXQGMJQM-DOTOQJQBSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594596 716374970 /nfs/dbraw/zinc/37/49/70/716374970.db2.gz FGNHZLLNBGIVCZ-DOTOQJQBSA-N 1 3 349.544 2.643 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594596 716374975 /nfs/dbraw/zinc/37/49/75/716374975.db2.gz FGNHZLLNBGIVCZ-DOTOQJQBSA-N 1 3 349.544 2.643 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023365204 716384266 /nfs/dbraw/zinc/38/42/66/716384266.db2.gz ZKEVPJREVRQJJS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023365204 716384272 /nfs/dbraw/zinc/38/42/72/716384272.db2.gz ZKEVPJREVRQJJS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977604468 716390863 /nfs/dbraw/zinc/39/08/63/716390863.db2.gz WKIVNBWRGQEOTN-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977604468 716390870 /nfs/dbraw/zinc/39/08/70/716390870.db2.gz WKIVNBWRGQEOTN-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605396 716391888 /nfs/dbraw/zinc/39/18/88/716391888.db2.gz YBCDAFWDABDLKW-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605396 716391892 /nfs/dbraw/zinc/39/18/92/716391892.db2.gz YBCDAFWDABDLKW-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023402259 716423440 /nfs/dbraw/zinc/42/34/40/716423440.db2.gz JFRJWCOHIXHXLK-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023402259 716423444 /nfs/dbraw/zinc/42/34/44/716423444.db2.gz JFRJWCOHIXHXLK-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000977622620 716423637 /nfs/dbraw/zinc/42/36/37/716423637.db2.gz RAOWRSSEGCWIIW-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000977622620 716423640 /nfs/dbraw/zinc/42/36/40/716423640.db2.gz RAOWRSSEGCWIIW-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](c1ccccc1F)N1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977624077 716425422 /nfs/dbraw/zinc/42/54/22/716425422.db2.gz PPJKCIPJOUMXFP-YJBOKZPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)N1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977624056 716425528 /nfs/dbraw/zinc/42/55/28/716425528.db2.gz PPJKCIPJOUMXFP-CRAIPNDOSA-N 1 3 347.478 2.809 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655265 716446578 /nfs/dbraw/zinc/44/65/78/716446578.db2.gz NPHLQSJQPVFXKX-IRXDYDNUSA-N 1 3 349.544 2.949 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655265 716446581 /nfs/dbraw/zinc/44/65/81/716446581.db2.gz NPHLQSJQPVFXKX-IRXDYDNUSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000978794810 716449449 /nfs/dbraw/zinc/44/94/49/716449449.db2.gz FQQMOGJXPJSVSQ-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000978794810 716449453 /nfs/dbraw/zinc/44/94/53/716449453.db2.gz FQQMOGJXPJSVSQ-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001027681356 716509199 /nfs/dbraw/zinc/50/91/99/716509199.db2.gz VBNBVLLOEOVYSL-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001027681356 716509203 /nfs/dbraw/zinc/50/92/03/716509203.db2.gz VBNBVLLOEOVYSL-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555085 716511949 /nfs/dbraw/zinc/51/19/49/716511949.db2.gz CNIJOVXTFZMGQS-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)Nc1ccc(Br)cc1)C1CCC([NH3+])CC1 ZINC000091847479 716673575 /nfs/dbraw/zinc/67/35/75/716673575.db2.gz XMEFINIULLAHAH-UHFFFAOYSA-N 1 3 340.265 2.589 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001027575527 716685727 /nfs/dbraw/zinc/68/57/27/716685727.db2.gz AXMXSPABEAYYRB-ICSRJNTNSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001027575527 716685734 /nfs/dbraw/zinc/68/57/34/716685734.db2.gz AXMXSPABEAYYRB-ICSRJNTNSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576920 716700730 /nfs/dbraw/zinc/70/07/30/716700730.db2.gz ZRQFREOEOSZGIK-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576920 716700735 /nfs/dbraw/zinc/70/07/35/716700735.db2.gz ZRQFREOEOSZGIK-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576087 716709225 /nfs/dbraw/zinc/70/92/25/716709225.db2.gz JXQPXQIZXGOLQR-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576087 716709227 /nfs/dbraw/zinc/70/92/27/716709227.db2.gz JXQPXQIZXGOLQR-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979091542 716711409 /nfs/dbraw/zinc/71/14/09/716711409.db2.gz RSVTYYMHXVGEMP-OWZKRDHZSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979091542 716711414 /nfs/dbraw/zinc/71/14/14/716711414.db2.gz RSVTYYMHXVGEMP-OWZKRDHZSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576528 716715044 /nfs/dbraw/zinc/71/50/44/716715044.db2.gz QKIMWECFQATYJU-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576528 716715046 /nfs/dbraw/zinc/71/50/46/716715046.db2.gz QKIMWECFQATYJU-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC000972610912 716718408 /nfs/dbraw/zinc/71/84/08/716718408.db2.gz WZINJBBKQHEWAE-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC000972610912 716718413 /nfs/dbraw/zinc/71/84/13/716718413.db2.gz WZINJBBKQHEWAE-IBGZPJMESA-N 1 3 333.520 2.751 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000972611628 716721074 /nfs/dbraw/zinc/72/10/74/716721074.db2.gz DPARVQPAJIHXGO-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000972611628 716721078 /nfs/dbraw/zinc/72/10/78/716721078.db2.gz DPARVQPAJIHXGO-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577510 716722083 /nfs/dbraw/zinc/72/20/83/716722083.db2.gz MPMNWBLOJREITQ-CRAIPNDOSA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577510 716722078 /nfs/dbraw/zinc/72/20/78/716722078.db2.gz MPMNWBLOJREITQ-CRAIPNDOSA-N 1 3 327.488 2.532 20 0 EFADHO CC1CC(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027577515 716722117 /nfs/dbraw/zinc/72/21/17/716722117.db2.gz MQFYYVAOLLWIFT-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027577515 716722125 /nfs/dbraw/zinc/72/21/25/716722125.db2.gz MQFYYVAOLLWIFT-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027577514 716722355 /nfs/dbraw/zinc/72/23/55/716722355.db2.gz MQFYYVAOLLWIFT-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027577514 716722360 /nfs/dbraw/zinc/72/23/60/716722360.db2.gz MQFYYVAOLLWIFT-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577635 716723916 /nfs/dbraw/zinc/72/39/16/716723916.db2.gz PGIQBTHKBUNRML-MAUKXSAKSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577635 716723919 /nfs/dbraw/zinc/72/39/19/716723919.db2.gz PGIQBTHKBUNRML-MAUKXSAKSA-N 1 3 327.488 2.530 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027579195 716741620 /nfs/dbraw/zinc/74/16/20/716741620.db2.gz CINUDWXAQAQAEH-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027579195 716741627 /nfs/dbraw/zinc/74/16/27/716741627.db2.gz CINUDWXAQAQAEH-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646142 716766338 /nfs/dbraw/zinc/76/63/38/716766338.db2.gz IUYXSQKVVZNUEY-HKUYNNGSSA-N 1 3 349.494 2.938 20 0 EFADHO COc1ccc([C@@H](CO)CNC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926573985 716868104 /nfs/dbraw/zinc/86/81/04/716868104.db2.gz RADDHYHWCNHRFA-GOSISDBHSA-N 1 3 334.504 2.871 20 0 EFADHO COc1ccc([C@@H](CO)C[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000926573985 716868111 /nfs/dbraw/zinc/86/81/11/716868111.db2.gz RADDHYHWCNHRFA-GOSISDBHSA-N 1 3 334.504 2.871 20 0 EFADHO C[N@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593983 716875526 /nfs/dbraw/zinc/87/55/26/716875526.db2.gz BFZMHEYVJSCVHH-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CC1CCCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593983 716875536 /nfs/dbraw/zinc/87/55/36/716875536.db2.gz BFZMHEYVJSCVHH-GOSISDBHSA-N 1 3 332.492 2.845 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978232646 716906497 /nfs/dbraw/zinc/90/64/97/716906497.db2.gz OCXGWHSSIKABMR-OKYOBFRVSA-N 1 3 347.547 2.591 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978232646 716906500 /nfs/dbraw/zinc/90/65/00/716906500.db2.gz OCXGWHSSIKABMR-OKYOBFRVSA-N 1 3 347.547 2.591 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023763066 716977670 /nfs/dbraw/zinc/97/76/70/716977670.db2.gz BIKKMSNJSYOMQI-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023763066 716977674 /nfs/dbraw/zinc/97/76/74/716977674.db2.gz BIKKMSNJSYOMQI-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734360 717161590 /nfs/dbraw/zinc/16/15/90/717161590.db2.gz XPMXWTYVXVRWHP-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734360 717161591 /nfs/dbraw/zinc/16/15/91/717161591.db2.gz XPMXWTYVXVRWHP-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001024016521 717212420 /nfs/dbraw/zinc/21/24/20/717212420.db2.gz HPNBWPXGIAQRRN-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001024017029 717214724 /nfs/dbraw/zinc/21/47/24/717214724.db2.gz RRLXXMOKRHWGCY-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001024019145 717216408 /nfs/dbraw/zinc/21/64/08/717216408.db2.gz VMWGXOFOCSHFMK-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404437 717217301 /nfs/dbraw/zinc/21/73/01/717217301.db2.gz AYCRTSSGWWIHEG-SFHVURJKSA-N 1 3 349.906 2.511 20 0 EFADHO C[N@@H+](CCc1ccc(Cl)cc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404437 717217307 /nfs/dbraw/zinc/21/73/07/717217307.db2.gz AYCRTSSGWWIHEG-SFHVURJKSA-N 1 3 349.906 2.511 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001024017794 717218384 /nfs/dbraw/zinc/21/83/84/717218384.db2.gz XQRGEYVANGZBBY-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406790 717220481 /nfs/dbraw/zinc/22/04/81/717220481.db2.gz RZUCUDIPORHDNT-ROUUACIJSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406790 717220484 /nfs/dbraw/zinc/22/04/84/717220484.db2.gz RZUCUDIPORHDNT-ROUUACIJSA-N 1 3 329.488 2.685 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001024018737 717221135 /nfs/dbraw/zinc/22/11/35/717221135.db2.gz RZXMGKCAEIODCA-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+](Cc1ccccc1C1CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407479 717222390 /nfs/dbraw/zinc/22/23/90/717222390.db2.gz YIEOBFXIGHENRM-IBGZPJMESA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](Cc1ccccc1C1CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407479 717222393 /nfs/dbraw/zinc/22/23/93/717222393.db2.gz YIEOBFXIGHENRM-IBGZPJMESA-N 1 3 341.499 2.693 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001024019409 717227495 /nfs/dbraw/zinc/22/74/95/717227495.db2.gz YVJNQWMYPILYIZ-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001024026121 717236469 /nfs/dbraw/zinc/23/64/69/717236469.db2.gz ADGUJLPUCDJIBZ-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024027383 717236933 /nfs/dbraw/zinc/23/69/33/717236933.db2.gz RMRRGMPDEJJBIV-MOPGFXCFSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001024026685 717237134 /nfs/dbraw/zinc/23/71/34/717237134.db2.gz GQLIXUDQHJKSIY-WMZOPIPTSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001024027295 717237194 /nfs/dbraw/zinc/23/71/94/717237194.db2.gz QPBFBSUXXTXTFE-MOPGFXCFSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001024039096 717249331 /nfs/dbraw/zinc/24/93/31/717249331.db2.gz OLNMQNMRHMTINP-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@H+](C)CC3CCC3)C2)c1 ZINC000980471289 717309395 /nfs/dbraw/zinc/30/93/95/717309395.db2.gz MXQRCULOBXLPIB-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)c1 ZINC000980471289 717309403 /nfs/dbraw/zinc/30/94/03/717309403.db2.gz MXQRCULOBXLPIB-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC000980476761 717317818 /nfs/dbraw/zinc/31/78/18/717317818.db2.gz XBDVEYLLEXLDLG-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC000980476761 717317824 /nfs/dbraw/zinc/31/78/24/717317824.db2.gz XBDVEYLLEXLDLG-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483682 717323838 /nfs/dbraw/zinc/32/38/38/717323838.db2.gz RNXMLTHDLILLCA-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483682 717323841 /nfs/dbraw/zinc/32/38/41/717323841.db2.gz RNXMLTHDLILLCA-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000980486096 717328828 /nfs/dbraw/zinc/32/88/28/717328828.db2.gz QGDUDHBKMKLCHS-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC000980486096 717328830 /nfs/dbraw/zinc/32/88/30/717328830.db2.gz QGDUDHBKMKLCHS-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000980483000 717340571 /nfs/dbraw/zinc/34/05/71/717340571.db2.gz GFSGCTNHTIZJMP-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000980483000 717340574 /nfs/dbraw/zinc/34/05/74/717340574.db2.gz GFSGCTNHTIZJMP-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000980483003 717340588 /nfs/dbraw/zinc/34/05/88/717340588.db2.gz GFSGCTNHTIZJMP-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000980483003 717340592 /nfs/dbraw/zinc/34/05/92/717340592.db2.gz GFSGCTNHTIZJMP-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001024139920 717388505 /nfs/dbraw/zinc/38/85/05/717388505.db2.gz RCOMETQCQXXXPU-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024139934 717388559 /nfs/dbraw/zinc/38/85/59/717388559.db2.gz RMRRGMPDEJJBIV-RTBURBONSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001024139646 717400766 /nfs/dbraw/zinc/40/07/66/717400766.db2.gz MBNSJAMJAFDLMO-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001024155827 717449717 /nfs/dbraw/zinc/44/97/17/717449717.db2.gz ANNWXJDAPOULAD-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001024156083 717450613 /nfs/dbraw/zinc/45/06/13/717450613.db2.gz HYCBUZFMEWAHBU-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001024156750 717451681 /nfs/dbraw/zinc/45/16/81/717451681.db2.gz SSOSWFDXWRIOLS-MSOLQXFVSA-N 1 3 347.547 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001024159434 717453775 /nfs/dbraw/zinc/45/37/75/717453775.db2.gz FJVSNGLGSYJQCP-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001024160939 717456316 /nfs/dbraw/zinc/45/63/16/717456316.db2.gz CKDHDCARMHOHQQ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024161982 717457011 /nfs/dbraw/zinc/45/70/11/717457011.db2.gz PXASXOZZILGLBA-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001024162695 717458421 /nfs/dbraw/zinc/45/84/21/717458421.db2.gz XYYYMTTUVXCRDF-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024177023 717475256 /nfs/dbraw/zinc/47/52/56/717475256.db2.gz JHKWKDFHOXEWAV-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001024178728 717477312 /nfs/dbraw/zinc/47/73/12/717477312.db2.gz DEWNGQVAALREMN-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001024178531 717477328 /nfs/dbraw/zinc/47/73/28/717477328.db2.gz AHVJALKMSLNNQD-HOTGVXAUSA-N 1 3 326.444 2.542 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000980605898 717477836 /nfs/dbraw/zinc/47/78/36/717477836.db2.gz YDYPRHADOIBZRW-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024179040 717477984 /nfs/dbraw/zinc/47/79/84/717477984.db2.gz IUAPKNQFPRMYHC-IAGOWNOFSA-N 1 3 340.471 2.850 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024180353 717479748 /nfs/dbraw/zinc/47/97/48/717479748.db2.gz WIKLCDACNXABQG-INIZCTEOSA-N 1 3 340.471 2.543 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024180354 717479755 /nfs/dbraw/zinc/47/97/55/717479755.db2.gz WIKLCDACNXABQG-MRXNPFEDSA-N 1 3 340.471 2.543 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2)CN1C(=O)CN(C)C1CCC1 ZINC000980606355 717480633 /nfs/dbraw/zinc/48/06/33/717480633.db2.gz CDPMRJNLQJSWQH-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1)C1CC1 ZINC000985471445 724445430 /nfs/dbraw/zinc/44/54/30/724445430.db2.gz VAUQYKPCQXXDOJ-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1)C1CC1 ZINC000985471445 724445431 /nfs/dbraw/zinc/44/54/31/724445431.db2.gz VAUQYKPCQXXDOJ-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3ccccc3F)CC2)CCC1 ZINC000985473713 724447767 /nfs/dbraw/zinc/44/77/67/724447767.db2.gz LJMFQWWSKABDEW-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3ccccc3F)CC2)CCC1 ZINC000985473713 724447768 /nfs/dbraw/zinc/44/77/68/724447768.db2.gz LJMFQWWSKABDEW-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[NH2+]CC3CCC3)C2)c1 ZINC001024276052 717554220 /nfs/dbraw/zinc/55/42/20/717554220.db2.gz CZQGDFCGZAJLIQ-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700407 717605330 /nfs/dbraw/zinc/60/53/30/717605330.db2.gz NLYJLXRFLGVLPB-RDJZCZTQSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980704389 717609562 /nfs/dbraw/zinc/60/95/62/717609562.db2.gz NSLAGPPNATWORM-SJORKVTESA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC000980708744 717640358 /nfs/dbraw/zinc/64/03/58/717640358.db2.gz OGGDMFYDIVTVHY-WFASDCNBSA-N 1 3 346.500 2.657 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC000980708741 717640546 /nfs/dbraw/zinc/64/05/46/717640546.db2.gz OGGDMFYDIVTVHY-DOMZBBRYSA-N 1 3 346.500 2.657 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740661 717659353 /nfs/dbraw/zinc/65/93/53/717659353.db2.gz XDNZFYYRXGXHKN-AEFFLSMTSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027878592 717740400 /nfs/dbraw/zinc/74/04/00/717740400.db2.gz DTYSJISPQNNPKE-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027878592 717740405 /nfs/dbraw/zinc/74/04/05/717740405.db2.gz DTYSJISPQNNPKE-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878708 717742096 /nfs/dbraw/zinc/74/20/96/717742096.db2.gz HFXSKMUMGDWHKI-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(C)C ZINC001027878708 717742103 /nfs/dbraw/zinc/74/21/03/717742103.db2.gz HFXSKMUMGDWHKI-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027879148 717743957 /nfs/dbraw/zinc/74/39/57/717743957.db2.gz NSRPLVQIIASCTO-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC001027879148 717743960 /nfs/dbraw/zinc/74/39/60/717743960.db2.gz NSRPLVQIIASCTO-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001027879202 717744564 /nfs/dbraw/zinc/74/45/64/717744564.db2.gz PBQCOANPNQHTGN-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001027879202 717744569 /nfs/dbraw/zinc/74/45/69/717744569.db2.gz PBQCOANPNQHTGN-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800483 717763859 /nfs/dbraw/zinc/76/38/59/717763859.db2.gz QDGTXSZRPFAJNP-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)CN1C(=O)CN1CCCC1 ZINC000980799619 717773566 /nfs/dbraw/zinc/77/35/66/717773566.db2.gz JGXASIBAAHNVIL-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980799588 717773700 /nfs/dbraw/zinc/77/37/00/717773700.db2.gz IZEBZTUFRHEKQE-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCCCC2)CN1C(=O)CN1CCCC1 ZINC000980799617 717773822 /nfs/dbraw/zinc/77/38/22/717773822.db2.gz JGXASIBAAHNVIL-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000980799416 717773866 /nfs/dbraw/zinc/77/38/66/717773866.db2.gz HLISFLVKXVGHKD-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000980799976 717774490 /nfs/dbraw/zinc/77/44/90/717774490.db2.gz NYWQIGYOPPVFLW-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000980799978 717774550 /nfs/dbraw/zinc/77/45/50/717774550.db2.gz NYWQIGYOPPVFLW-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027986596 717788680 /nfs/dbraw/zinc/78/86/80/717788680.db2.gz ZCDXMNQBGNIYDV-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001027986596 717788682 /nfs/dbraw/zinc/78/86/82/717788682.db2.gz ZCDXMNQBGNIYDV-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)CCC1 ZINC001029753342 724469689 /nfs/dbraw/zinc/46/96/89/724469689.db2.gz CVXQHOVMWOVDFN-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)CCC1 ZINC001029753342 724469690 /nfs/dbraw/zinc/46/96/90/724469690.db2.gz CVXQHOVMWOVDFN-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(NC[C@H]1CCCCN1CCCF)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479902 717806164 /nfs/dbraw/zinc/80/61/64/717806164.db2.gz TUNHJTBSXQHMOJ-QZTJIDSGSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@H]1CCCCN1CCCF)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479902 717806168 /nfs/dbraw/zinc/80/61/68/717806168.db2.gz TUNHJTBSXQHMOJ-QZTJIDSGSA-N 1 3 339.499 2.724 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992521 717828005 /nfs/dbraw/zinc/82/80/05/717828005.db2.gz BWSDALBDFVXGAI-HKUYNNGSSA-N 1 3 341.499 2.957 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001029756587 724472210 /nfs/dbraw/zinc/47/22/10/724472210.db2.gz XYBAFGTWYPCDQD-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001029756587 724472212 /nfs/dbraw/zinc/47/22/12/724472212.db2.gz XYBAFGTWYPCDQD-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904209 724474984 /nfs/dbraw/zinc/47/49/84/724474984.db2.gz QDWHGUGACCCIIR-MSOLQXFVSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904209 724474987 /nfs/dbraw/zinc/47/49/87/724474987.db2.gz QDWHGUGACCCIIR-MSOLQXFVSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001029754536 724473737 /nfs/dbraw/zinc/47/37/37/724473737.db2.gz AOJKKYWULNAJMR-XLIONFOSSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001029754536 724473741 /nfs/dbraw/zinc/47/37/41/724473741.db2.gz AOJKKYWULNAJMR-XLIONFOSSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001027997118 717852813 /nfs/dbraw/zinc/85/28/13/717852813.db2.gz JDFDFBLPERPGSI-IBGZPJMESA-N 1 3 341.499 2.704 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001029754860 724474015 /nfs/dbraw/zinc/47/40/15/724474015.db2.gz DVWPJXTYCYEJFQ-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001029754860 724474017 /nfs/dbraw/zinc/47/40/17/724474017.db2.gz DVWPJXTYCYEJFQ-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173711 717857310 /nfs/dbraw/zinc/85/73/10/717857310.db2.gz SGDGSROXOIFAOO-BZSNNMDCSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173711 717857312 /nfs/dbraw/zinc/85/73/12/717857312.db2.gz SGDGSROXOIFAOO-BZSNNMDCSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173713 717857894 /nfs/dbraw/zinc/85/78/94/717857894.db2.gz SGDGSROXOIFAOO-OKZBNKHCSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980173713 717857898 /nfs/dbraw/zinc/85/78/98/717857898.db2.gz SGDGSROXOIFAOO-OKZBNKHCSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755508 724475199 /nfs/dbraw/zinc/47/51/99/724475199.db2.gz MFRUNOMSICHGDX-HKUYNNGSSA-N 1 3 333.520 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001029755508 724475200 /nfs/dbraw/zinc/47/52/00/724475200.db2.gz MFRUNOMSICHGDX-HKUYNNGSSA-N 1 3 333.520 2.607 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001029755400 724475278 /nfs/dbraw/zinc/47/52/78/724475278.db2.gz MLUFSMONECGYIF-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001029755400 724475281 /nfs/dbraw/zinc/47/52/81/724475281.db2.gz MLUFSMONECGYIF-QGZVFWFLSA-N 1 3 347.478 2.590 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCc2ccccc21 ZINC001029904468 724475543 /nfs/dbraw/zinc/47/55/43/724475543.db2.gz WYCCRSTXRHIKEM-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCc2ccccc21 ZINC001029904468 724475547 /nfs/dbraw/zinc/47/55/47/724475547.db2.gz WYCCRSTXRHIKEM-YLJYHZDGSA-N 1 3 341.499 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001029755752 724475549 /nfs/dbraw/zinc/47/55/49/724475549.db2.gz OETDDXJKXIBHFK-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001029755752 724475553 /nfs/dbraw/zinc/47/55/53/724475553.db2.gz OETDDXJKXIBHFK-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001027891543 717889108 /nfs/dbraw/zinc/88/91/08/717889108.db2.gz AGMRJVJBNPRUQT-ATZDWAIDSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001027891543 717889113 /nfs/dbraw/zinc/88/91/13/717889113.db2.gz AGMRJVJBNPRUQT-ATZDWAIDSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(CF)cc2)CC[N@@H+]1C ZINC001027891544 717889229 /nfs/dbraw/zinc/88/92/29/717889229.db2.gz AGMRJVJBNPRUQT-AYOQOUSVSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(CF)cc2)CC[N@H+]1C ZINC001027891544 717889230 /nfs/dbraw/zinc/88/92/30/717889230.db2.gz AGMRJVJBNPRUQT-AYOQOUSVSA-N 1 3 347.478 2.577 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001029905746 724478142 /nfs/dbraw/zinc/47/81/42/724478142.db2.gz UJGOWUMRNKOYIQ-ACBHZAAOSA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001029905746 724478145 /nfs/dbraw/zinc/47/81/45/724478145.db2.gz UJGOWUMRNKOYIQ-ACBHZAAOSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027917463 718083269 /nfs/dbraw/zinc/08/32/69/718083269.db2.gz BFOBKHJNJHIRLG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027917463 718083273 /nfs/dbraw/zinc/08/32/73/718083273.db2.gz BFOBKHJNJHIRLG-PMACEKPBSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CN(C)Cc2ccccc2F)C1)[NH+](C)C ZINC001029761242 724481892 /nfs/dbraw/zinc/48/18/92/724481892.db2.gz OELPMQKZKMIFCI-LPHOPBHVSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029761327 724482374 /nfs/dbraw/zinc/48/23/74/724482374.db2.gz PUXNOOZKQVHPDE-RDJZCZTQSA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029761327 724482375 /nfs/dbraw/zinc/48/23/75/724482375.db2.gz PUXNOOZKQVHPDE-RDJZCZTQSA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001027924711 718126283 /nfs/dbraw/zinc/12/62/83/718126283.db2.gz MBSJCHSICKLFRJ-WOJBJXKFSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001027924711 718126286 /nfs/dbraw/zinc/12/62/86/718126286.db2.gz MBSJCHSICKLFRJ-WOJBJXKFSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029766783 724484281 /nfs/dbraw/zinc/48/42/81/724484281.db2.gz GLBVGEGPNJHTDK-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029766783 724484284 /nfs/dbraw/zinc/48/42/84/724484284.db2.gz GLBVGEGPNJHTDK-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000981143779 718152237 /nfs/dbraw/zinc/15/22/37/718152237.db2.gz UIKCFZHKEIIYQU-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000981143779 718152239 /nfs/dbraw/zinc/15/22/39/718152239.db2.gz UIKCFZHKEIIYQU-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NCC(C)(C)N2CCCCC2)cc1 ZINC000066242137 718160023 /nfs/dbraw/zinc/16/00/23/718160023.db2.gz TWHRKXBPAZZERV-UHFFFAOYSA-N 1 3 332.492 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029767203 724485409 /nfs/dbraw/zinc/48/54/09/724485409.db2.gz MDLIUQFUPDKKSW-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029767203 724485412 /nfs/dbraw/zinc/48/54/12/724485412.db2.gz MDLIUQFUPDKKSW-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CC1CC(C[N@@H+]2CCCN(C(=O)C(C)(C)N3CCCCC3)CC2)C1 ZINC000981165383 718169903 /nfs/dbraw/zinc/16/99/03/718169903.db2.gz USRKJQMZSXRVGK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCCN(C(=O)C(C)(C)N3CCCCC3)CC2)C1 ZINC000981165383 718169905 /nfs/dbraw/zinc/16/99/05/718169905.db2.gz USRKJQMZSXRVGK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001024900328 718211947 /nfs/dbraw/zinc/21/19/47/718211947.db2.gz ASIURUFXZVQVHZ-MOPGFXCFSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001024901625 718213210 /nfs/dbraw/zinc/21/32/10/718213210.db2.gz YLCUIXYTSFUYPX-RTBURBONSA-N 1 3 347.478 2.699 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001024902194 718213727 /nfs/dbraw/zinc/21/37/27/718213727.db2.gz KPYITCXVDAUEHK-QZTJIDSGSA-N 1 3 349.906 2.905 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001024902183 718213761 /nfs/dbraw/zinc/21/37/61/718213761.db2.gz KHPAQVCBPQGVJR-AEFFLSMTSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001024982198 718247497 /nfs/dbraw/zinc/24/74/97/718247497.db2.gz IDOZEAIASDUVFS-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001024985841 718249897 /nfs/dbraw/zinc/24/98/97/718249897.db2.gz UJBUKQHXEYIWFT-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001024985816 718249945 /nfs/dbraw/zinc/24/99/45/718249945.db2.gz STTDETRQJZEPNK-RTBURBONSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001024992214 718251222 /nfs/dbraw/zinc/25/12/22/718251222.db2.gz PEDPDZDXOSMWRI-OALUTQOASA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)N(C)C ZINC001024992516 718252709 /nfs/dbraw/zinc/25/27/09/718252709.db2.gz UHHUPHBESYJCCH-SJORKVTESA-N 1 3 337.533 2.805 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2F)C1 ZINC001029770147 724494970 /nfs/dbraw/zinc/49/49/70/724494970.db2.gz UERYMYMTVJBLDJ-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2F)C1 ZINC001029770147 724494971 /nfs/dbraw/zinc/49/49/71/724494971.db2.gz UERYMYMTVJBLDJ-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO CCOC(=O)c1ncc(CNCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000892585440 718311635 /nfs/dbraw/zinc/31/16/35/718311635.db2.gz UQRLTDOCXNEFIY-AWEZNQCLSA-N 1 3 339.505 2.922 20 0 EFADHO CCOC(=O)c1ncc(CNCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000892585440 718311636 /nfs/dbraw/zinc/31/16/36/718311636.db2.gz UQRLTDOCXNEFIY-AWEZNQCLSA-N 1 3 339.505 2.922 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000161087585 718323732 /nfs/dbraw/zinc/32/37/32/718323732.db2.gz DJIJGYSCIISLBL-FYZZASKESA-N 1 3 345.531 2.738 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029910712 724497784 /nfs/dbraw/zinc/49/77/84/724497784.db2.gz XBWZRPFLJTVBPW-FUHWJXTLSA-N 1 3 349.544 2.903 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029910712 724497787 /nfs/dbraw/zinc/49/77/87/724497787.db2.gz XBWZRPFLJTVBPW-FUHWJXTLSA-N 1 3 349.544 2.903 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892612768 718341424 /nfs/dbraw/zinc/34/14/24/718341424.db2.gz DMRJTFQKDSNYGW-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001025073887 718342029 /nfs/dbraw/zinc/34/20/29/718342029.db2.gz VTYBNSDFRZADML-RBUKOAKNSA-N 1 3 331.504 2.744 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC001025098335 718358008 /nfs/dbraw/zinc/35/80/08/718358008.db2.gz OTJOSGDGPNAYDX-MJGOQNOKSA-N 1 3 338.455 2.610 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289204 718527154 /nfs/dbraw/zinc/52/71/54/718527154.db2.gz OETQKCDCFTXBFD-HZPDHXFCSA-N 1 3 332.492 2.943 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289204 718527156 /nfs/dbraw/zinc/52/71/56/718527156.db2.gz OETQKCDCFTXBFD-HZPDHXFCSA-N 1 3 332.492 2.943 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000981486210 718754679 /nfs/dbraw/zinc/75/46/79/718754679.db2.gz MPRRETQEQRZFEL-HUUCEWRRSA-N 1 3 346.500 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000981488238 718756044 /nfs/dbraw/zinc/75/60/44/718756044.db2.gz VRGCFOSZXTYZLY-IAGOWNOFSA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000981488240 718756184 /nfs/dbraw/zinc/75/61/84/718756184.db2.gz VRGCFOSZXTYZLY-SJORKVTESA-N 1 3 344.434 2.617 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC3)C2)c1 ZINC000981536317 718795638 /nfs/dbraw/zinc/79/56/38/718795638.db2.gz AVFFNAXKSGWMKM-RBUKOAKNSA-N 1 3 329.488 2.789 20 0 EFADHO Cc1cc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC000981665479 718927866 /nfs/dbraw/zinc/92/78/66/718927866.db2.gz DJATVJDCNOKQNE-KRWDZBQOSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CCCN4C)C3)C2)cs1 ZINC000981665479 718927868 /nfs/dbraw/zinc/92/78/68/718927868.db2.gz DJATVJDCNOKQNE-KRWDZBQOSA-N 1 3 347.528 2.575 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981687094 718942977 /nfs/dbraw/zinc/94/29/77/718942977.db2.gz HBVLHCKVNYFRHL-KRWDZBQOSA-N 1 3 349.494 2.687 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920384 724547505 /nfs/dbraw/zinc/54/75/05/724547505.db2.gz WDJYEXFDUVUGNJ-MISYRCLQSA-N 1 3 343.515 2.840 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920384 724547506 /nfs/dbraw/zinc/54/75/06/724547506.db2.gz WDJYEXFDUVUGNJ-MISYRCLQSA-N 1 3 343.515 2.840 20 0 EFADHO CN(Cc1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164425612 718946724 /nfs/dbraw/zinc/94/67/24/718946724.db2.gz WYRIZRAFOOEQHN-UXHICEINSA-N 1 3 334.467 2.751 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CCCC2CCC2)CC1)N1CCCC1 ZINC000981743185 718994747 /nfs/dbraw/zinc/99/47/47/718994747.db2.gz QFCHCYQPCWYYIM-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1)N1CCCC1 ZINC000981743185 718994750 /nfs/dbraw/zinc/99/47/50/718994750.db2.gz QFCHCYQPCWYYIM-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)(C(=O)N1CCCN(CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC000981743185 718994752 /nfs/dbraw/zinc/99/47/52/718994752.db2.gz QFCHCYQPCWYYIM-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2)C1CC1 ZINC000981811985 719071707 /nfs/dbraw/zinc/07/17/07/719071707.db2.gz DLQYGYYVNCGFNC-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2)C1CC1 ZINC000981811985 719071713 /nfs/dbraw/zinc/07/17/13/719071713.db2.gz DLQYGYYVNCGFNC-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2)C1CC1 ZINC000981811986 719071909 /nfs/dbraw/zinc/07/19/09/719071909.db2.gz DLQYGYYVNCGFNC-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2)C1CC1 ZINC000981811986 719071913 /nfs/dbraw/zinc/07/19/13/719071913.db2.gz DLQYGYYVNCGFNC-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000981812152 719071985 /nfs/dbraw/zinc/07/19/85/719071985.db2.gz HOLLBHLIHURFBT-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000981812152 719071989 /nfs/dbraw/zinc/07/19/89/719071989.db2.gz HOLLBHLIHURFBT-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CC2=CCCCC2)C3)CCC1 ZINC000981812234 719072251 /nfs/dbraw/zinc/07/22/51/719072251.db2.gz KYCGADNZSXITRL-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CC2=CCCCC2)C3)CCC1 ZINC000981812234 719072256 /nfs/dbraw/zinc/07/22/56/719072256.db2.gz KYCGADNZSXITRL-UHFFFAOYSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)C1CC1 ZINC000981812440 719072548 /nfs/dbraw/zinc/07/25/48/719072548.db2.gz OBHKKTWGIGCDTJ-GOSISDBHSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)C1CC1 ZINC000981812440 719072553 /nfs/dbraw/zinc/07/25/53/719072553.db2.gz OBHKKTWGIGCDTJ-GOSISDBHSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)C1CC1 ZINC000981812441 719072653 /nfs/dbraw/zinc/07/26/53/719072653.db2.gz OBHKKTWGIGCDTJ-SFHVURJKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)C1CC1 ZINC000981812441 719072657 /nfs/dbraw/zinc/07/26/57/719072657.db2.gz OBHKKTWGIGCDTJ-SFHVURJKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)C1CCC1 ZINC000981816048 719078185 /nfs/dbraw/zinc/07/81/85/719078185.db2.gz HWYVVNYVWWCJOZ-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CCC1 ZINC000981816048 719078186 /nfs/dbraw/zinc/07/81/86/719078186.db2.gz HWYVVNYVWWCJOZ-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2)C1CCC1 ZINC000981816199 719079380 /nfs/dbraw/zinc/07/93/80/719079380.db2.gz QDKMYLCUVGPFMX-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2)C1CCC1 ZINC000981816199 719079381 /nfs/dbraw/zinc/07/93/81/719079381.db2.gz QDKMYLCUVGPFMX-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981826055 719087557 /nfs/dbraw/zinc/08/75/57/719087557.db2.gz YVNSNVJMZPUZDJ-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC000981826055 719087559 /nfs/dbraw/zinc/08/75/59/719087559.db2.gz YVNSNVJMZPUZDJ-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1csc(C)c1)C2)N(C)C ZINC000981842000 719118944 /nfs/dbraw/zinc/11/89/44/719118944.db2.gz QLSWIAYKBPVINU-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1csc(C)c1)C2)N(C)C ZINC000981842000 719118945 /nfs/dbraw/zinc/11/89/45/719118945.db2.gz QLSWIAYKBPVINU-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC3(CCC3)C1)C2)N(C)C ZINC000981842296 719119582 /nfs/dbraw/zinc/11/95/82/719119582.db2.gz XMWAUYFKVPXHLK-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC3(CCC3)C1)C2)N(C)C ZINC000981842296 719119583 /nfs/dbraw/zinc/11/95/83/719119583.db2.gz XMWAUYFKVPXHLK-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000981868308 719145700 /nfs/dbraw/zinc/14/57/00/719145700.db2.gz SURYEHPPFHOTDE-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000981874029 719154187 /nfs/dbraw/zinc/15/41/87/719154187.db2.gz VSAKRYWDFQSLAX-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000981896582 719175760 /nfs/dbraw/zinc/17/57/60/719175760.db2.gz UGQODEKYJLWOAT-HXUWFJFHSA-N 1 3 345.531 2.924 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025627735 719248735 /nfs/dbraw/zinc/24/87/35/719248735.db2.gz LBALXKCHOPNMJE-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025627735 719248738 /nfs/dbraw/zinc/24/87/38/719248738.db2.gz LBALXKCHOPNMJE-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001019775898 719383554 /nfs/dbraw/zinc/38/35/54/719383554.db2.gz LKVOGHBZVSXBCW-KSSFIOAISA-N 1 3 347.890 2.614 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccsc2)C1)[NH+]1CCCC1 ZINC001019823014 719391922 /nfs/dbraw/zinc/39/19/22/719391922.db2.gz XLSGBGFVTVKFBV-IRXDYDNUSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC000982012234 719436505 /nfs/dbraw/zinc/43/65/05/719436505.db2.gz SMPCQWYLGGRKBJ-GOSISDBHSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC000982012234 719436508 /nfs/dbraw/zinc/43/65/08/719436508.db2.gz SMPCQWYLGGRKBJ-GOSISDBHSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CCCCC2)C3)C1 ZINC000982012906 719437582 /nfs/dbraw/zinc/43/75/82/719437582.db2.gz HSNBOVNFLPSGIY-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CCCCC2)C3)C1 ZINC000982012906 719437587 /nfs/dbraw/zinc/43/75/87/719437587.db2.gz HSNBOVNFLPSGIY-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013543 719439387 /nfs/dbraw/zinc/43/93/87/719439387.db2.gz VEOLCXFDQUUQGU-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC000982013543 719439388 /nfs/dbraw/zinc/43/93/88/719439388.db2.gz VEOLCXFDQUUQGU-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC000982036710 719486836 /nfs/dbraw/zinc/48/68/36/719486836.db2.gz NZPUXDJWOIFOBH-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](CCCC1CCCC1)C2 ZINC000982036710 719486841 /nfs/dbraw/zinc/48/68/41/719486841.db2.gz NZPUXDJWOIFOBH-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982037016 719487341 /nfs/dbraw/zinc/48/73/41/719487341.db2.gz XYNQGMLTICZBHP-INIZCTEOSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982037016 719487345 /nfs/dbraw/zinc/48/73/45/719487345.db2.gz XYNQGMLTICZBHP-INIZCTEOSA-N 1 3 338.455 2.638 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982052406 719506878 /nfs/dbraw/zinc/50/68/78/719506878.db2.gz IWJUPVGPYSAAHZ-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982052406 719506883 /nfs/dbraw/zinc/50/68/83/719506883.db2.gz IWJUPVGPYSAAHZ-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000925835553 719543586 /nfs/dbraw/zinc/54/35/86/719543586.db2.gz RCLSCCZLZJYBOV-KLHDSHLOSA-N 1 3 333.442 2.914 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)N1CCCCCC1 ZINC000982080903 719544544 /nfs/dbraw/zinc/54/45/44/719544544.db2.gz DVJABULQMBWIBU-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)N1CCCCCC1 ZINC000982080903 719544547 /nfs/dbraw/zinc/54/45/47/719544547.db2.gz DVJABULQMBWIBU-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038342330 719564747 /nfs/dbraw/zinc/56/47/47/719564747.db2.gz VXOYOIBZTOEYEB-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038342330 719564749 /nfs/dbraw/zinc/56/47/49/719564749.db2.gz VXOYOIBZTOEYEB-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160456 719618612 /nfs/dbraw/zinc/61/86/12/719618612.db2.gz YVWKAKHOJBIQLY-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160456 719618617 /nfs/dbraw/zinc/61/86/17/719618617.db2.gz YVWKAKHOJBIQLY-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160661 719619692 /nfs/dbraw/zinc/61/96/92/719619692.db2.gz ANMULLZIAGTREZ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160661 719619695 /nfs/dbraw/zinc/61/96/95/719619695.db2.gz ANMULLZIAGTREZ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1OC ZINC000893098470 719631641 /nfs/dbraw/zinc/63/16/41/719631641.db2.gz ORMVSOVQZNFTPD-AEEMCCEDSA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1OC ZINC000893098470 719631646 /nfs/dbraw/zinc/63/16/46/719631646.db2.gz ORMVSOVQZNFTPD-AEEMCCEDSA-N 1 3 332.488 2.822 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040887 719666055 /nfs/dbraw/zinc/66/60/55/719666055.db2.gz SZARJHFUOXQASH-DKCCPGLUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026040887 719666059 /nfs/dbraw/zinc/66/60/59/719666059.db2.gz SZARJHFUOXQASH-DKCCPGLUSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001026142777 719793946 /nfs/dbraw/zinc/79/39/46/719793946.db2.gz GWUVXTOEGCRAIG-AOJZQBIQSA-N 1 3 344.503 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001026142777 719793950 /nfs/dbraw/zinc/79/39/50/719793950.db2.gz GWUVXTOEGCRAIG-AOJZQBIQSA-N 1 3 344.503 2.523 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148476 719802284 /nfs/dbraw/zinc/80/22/84/719802284.db2.gz LTJJDOHBJZHDAP-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148476 719802291 /nfs/dbraw/zinc/80/22/91/719802291.db2.gz LTJJDOHBJZHDAP-KQJLIMQASA-N 1 3 347.547 2.876 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295927 719837443 /nfs/dbraw/zinc/83/74/43/719837443.db2.gz GGFRZMZCWDMKBX-MFHCWRBVSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295927 719837450 /nfs/dbraw/zinc/83/74/50/719837450.db2.gz GGFRZMZCWDMKBX-MFHCWRBVSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296706 719843973 /nfs/dbraw/zinc/84/39/73/719843973.db2.gz XTONESJQWAEZBT-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296706 719843981 /nfs/dbraw/zinc/84/39/81/719843981.db2.gz XTONESJQWAEZBT-YSIASYRMSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccsc3)C[C@]2(C)C1)N(C)C ZINC000982305977 719872555 /nfs/dbraw/zinc/87/25/55/719872555.db2.gz CDJFLFFRIQDIJR-QRQLOZEOSA-N 1 3 349.544 2.759 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccsc3)C[C@]2(C)C1)N(C)C ZINC000982305977 719872561 /nfs/dbraw/zinc/87/25/61/719872561.db2.gz CDJFLFFRIQDIJR-QRQLOZEOSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001026268307 720080732 /nfs/dbraw/zinc/08/07/32/720080732.db2.gz YEUYSYRVZNYBIO-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986353895 724649190 /nfs/dbraw/zinc/64/91/90/724649190.db2.gz JVRGEQWFHYROLC-OXQOHEQNSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986353893 724649228 /nfs/dbraw/zinc/64/92/28/724649228.db2.gz JVRGEQWFHYROLC-OXJNMPFZSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCCC4)[C@H]3C2)CCC1 ZINC001026281879 720121032 /nfs/dbraw/zinc/12/10/32/720121032.db2.gz KAEUBYXYVSQYNK-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355965 724649979 /nfs/dbraw/zinc/64/99/79/724649979.db2.gz NLRGMSJAXDJCPO-YJBOKZPZSA-N 1 3 333.520 2.630 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1)C1CCC1 ZINC001026283318 720131155 /nfs/dbraw/zinc/13/11/55/720131155.db2.gz GFULOALCROWZEO-SXLOBPIMSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1F ZINC000986358202 724651433 /nfs/dbraw/zinc/65/14/33/724651433.db2.gz XFZCKKNHUMIIBP-HNAYVOBHSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986353273 724660246 /nfs/dbraw/zinc/66/02/46/724660246.db2.gz IWEAZHVGYHNOMR-PXNSSMCTSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029828782 724663925 /nfs/dbraw/zinc/66/39/25/724663925.db2.gz KKQGOYKZJPBMIX-PKOBYXMFSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029828782 724663927 /nfs/dbraw/zinc/66/39/27/724663927.db2.gz KKQGOYKZJPBMIX-PKOBYXMFSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029829779 724666122 /nfs/dbraw/zinc/66/61/22/724666122.db2.gz JWIJMTOPLZZQIO-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029829779 724666123 /nfs/dbraw/zinc/66/61/23/724666123.db2.gz JWIJMTOPLZZQIO-RTBURBONSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029829778 724666150 /nfs/dbraw/zinc/66/61/50/724666150.db2.gz JWIJMTOPLZZQIO-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001029829778 724666151 /nfs/dbraw/zinc/66/61/51/724666151.db2.gz JWIJMTOPLZZQIO-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332649 720372369 /nfs/dbraw/zinc/37/23/69/720372369.db2.gz AXOXCIHZJVUMKP-IBGZPJMESA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332649 720372374 /nfs/dbraw/zinc/37/23/74/720372374.db2.gz AXOXCIHZJVUMKP-IBGZPJMESA-N 1 3 329.488 2.909 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333238 720373226 /nfs/dbraw/zinc/37/32/26/720373226.db2.gz GYZWLHXIQRHMMQ-AEFFLSMTSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333238 720373230 /nfs/dbraw/zinc/37/32/30/720373230.db2.gz GYZWLHXIQRHMMQ-AEFFLSMTSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333708 720378122 /nfs/dbraw/zinc/37/81/22/720378122.db2.gz OLPPAJYMDORQAC-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333708 720378126 /nfs/dbraw/zinc/37/81/26/720378126.db2.gz OLPPAJYMDORQAC-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CCCC4)[C@@H]3C2)C1 ZINC001026362096 720390103 /nfs/dbraw/zinc/39/01/03/720390103.db2.gz VCMNMSZKSBCEPU-OTWHNJEPSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)[NH+]1CCCC1 ZINC001008160378 720406458 /nfs/dbraw/zinc/40/64/58/720406458.db2.gz AEXDVOUQVSJICT-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026427480 720558922 /nfs/dbraw/zinc/55/89/22/720558922.db2.gz OMBBHQWOIYFWSZ-CEXWTWQISA-N 1 3 329.488 2.597 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001029840168 724690207 /nfs/dbraw/zinc/69/02/07/724690207.db2.gz SGOHQBKOVYLDDV-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001029840168 724690210 /nfs/dbraw/zinc/69/02/10/724690210.db2.gz SGOHQBKOVYLDDV-PKOBYXMFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001029841277 724692270 /nfs/dbraw/zinc/69/22/70/724692270.db2.gz HWZJWWYNGMWGAC-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001029841277 724692271 /nfs/dbraw/zinc/69/22/71/724692271.db2.gz HWZJWWYNGMWGAC-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001029842579 724695576 /nfs/dbraw/zinc/69/55/76/724695576.db2.gz SMBNUZHOKLIZCJ-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001029842579 724695577 /nfs/dbraw/zinc/69/55/77/724695577.db2.gz SMBNUZHOKLIZCJ-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925640131 720672097 /nfs/dbraw/zinc/67/20/97/720672097.db2.gz GGTQRSBKUUGMLX-RKDVLTNBSA-N 1 3 343.515 2.970 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001029843010 724698114 /nfs/dbraw/zinc/69/81/14/724698114.db2.gz AILCRMZVIZSKIZ-PXNSSMCTSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001029843010 724698115 /nfs/dbraw/zinc/69/81/15/724698115.db2.gz AILCRMZVIZSKIZ-PXNSSMCTSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029843347 724702860 /nfs/dbraw/zinc/70/28/60/724702860.db2.gz IHBLNCCUDVJOMN-MJGOQNOKSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029843347 724702861 /nfs/dbraw/zinc/70/28/61/724702861.db2.gz IHBLNCCUDVJOMN-MJGOQNOKSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029843664 724704288 /nfs/dbraw/zinc/70/42/88/724704288.db2.gz MJIXCSRZQIKCLH-PMACEKPBSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029843664 724704289 /nfs/dbraw/zinc/70/42/89/724704289.db2.gz MJIXCSRZQIKCLH-PMACEKPBSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029843648 724705398 /nfs/dbraw/zinc/70/53/98/724705398.db2.gz MDELUWDNDOSMMO-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029843648 724705400 /nfs/dbraw/zinc/70/54/00/724705400.db2.gz MDELUWDNDOSMMO-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001029844005 724706090 /nfs/dbraw/zinc/70/60/90/724706090.db2.gz UNJCPRVNLIJZTQ-PMACEKPBSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001029844005 724706092 /nfs/dbraw/zinc/70/60/92/724706092.db2.gz UNJCPRVNLIJZTQ-PMACEKPBSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029844136 724707103 /nfs/dbraw/zinc/70/71/03/724707103.db2.gz WTFMXUPAXPUAGF-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029844136 724707106 /nfs/dbraw/zinc/70/71/06/724707106.db2.gz WTFMXUPAXPUAGF-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCc2ccccc2)CC1 ZINC001026598337 720797670 /nfs/dbraw/zinc/79/76/70/720797670.db2.gz BILXNQWWSPTZAF-UHFFFAOYSA-N 1 3 340.471 2.520 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553443 720816374 /nfs/dbraw/zinc/81/63/74/720816374.db2.gz LJOSYICLUSNNTR-KVPLUYHFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553443 720816377 /nfs/dbraw/zinc/81/63/77/720816377.db2.gz LJOSYICLUSNNTR-KVPLUYHFSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)CN4CC[C@@H](C)C4)C[C@@]3(C)C2)C1 ZINC000982553824 720821377 /nfs/dbraw/zinc/82/13/77/720821377.db2.gz QSISRETYDSGBGD-BMTLAFGVSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)CN4CC[C@@H](C)C4)C[C@@]3(C)C2)C1 ZINC000982553824 720821384 /nfs/dbraw/zinc/82/13/84/720821384.db2.gz QSISRETYDSGBGD-BMTLAFGVSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@H+](CC4CCCC4)C[C@]3(C)C2)C1 ZINC000982557179 720828236 /nfs/dbraw/zinc/82/82/36/720828236.db2.gz NJDZFLNYWUCCHO-DZFGPLHGSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@]3(C)C[N@@H+](CC4CCCC4)C[C@]3(C)C2)C1 ZINC000982557179 720828238 /nfs/dbraw/zinc/82/82/38/720828238.db2.gz NJDZFLNYWUCCHO-DZFGPLHGSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557126 720828600 /nfs/dbraw/zinc/82/86/00/720828600.db2.gz KOEQMAMYOAXDHT-QGZVKYPTSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557126 720828607 /nfs/dbraw/zinc/82/86/07/720828607.db2.gz KOEQMAMYOAXDHT-QGZVKYPTSA-N 1 3 335.536 2.545 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617016 720951478 /nfs/dbraw/zinc/95/14/78/720951478.db2.gz KEJJXUOOUBSTJD-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617016 720951481 /nfs/dbraw/zinc/95/14/81/720951481.db2.gz KEJJXUOOUBSTJD-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001028536405 720985286 /nfs/dbraw/zinc/98/52/86/720985286.db2.gz BLZASKKNCRNTPM-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001028536405 720985288 /nfs/dbraw/zinc/98/52/88/720985288.db2.gz BLZASKKNCRNTPM-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001026727434 720992461 /nfs/dbraw/zinc/99/24/61/720992461.db2.gz OCSQXDJJFVGLFG-AZUAARDMSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC001026727437 720992486 /nfs/dbraw/zinc/99/24/86/720992486.db2.gz OCSQXDJJFVGLFG-UYAOXDASSA-N 1 3 343.515 2.644 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026734523 721009295 /nfs/dbraw/zinc/00/92/95/721009295.db2.gz PDEKQNUVVPBFHW-QUCCMNQESA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001026734484 721009458 /nfs/dbraw/zinc/00/94/58/721009458.db2.gz ODAYZFIKEFMNJX-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026734872 721009960 /nfs/dbraw/zinc/00/99/60/721009960.db2.gz VWBOIBUYHJFRCB-MSOLQXFVSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580483 721110921 /nfs/dbraw/zinc/11/09/21/721110921.db2.gz XBDCHEASNPPQSO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580483 721110922 /nfs/dbraw/zinc/11/09/22/721110922.db2.gz XBDCHEASNPPQSO-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC000985635606 724737113 /nfs/dbraw/zinc/73/71/13/724737113.db2.gz BVPHJTMBLUOJRG-GOSISDBHSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC000985635606 724737114 /nfs/dbraw/zinc/73/71/14/724737114.db2.gz BVPHJTMBLUOJRG-GOSISDBHSA-N 1 3 337.552 2.932 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974604035 721193212 /nfs/dbraw/zinc/19/32/12/721193212.db2.gz DEVADPPVPNSDRN-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974604035 721193214 /nfs/dbraw/zinc/19/32/14/721193214.db2.gz DEVADPPVPNSDRN-QRQLOZEOSA-N 1 3 343.515 2.662 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C\Cl)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001028594785 721247274 /nfs/dbraw/zinc/24/72/74/721247274.db2.gz LWXTVYKRMQUBNX-RJTUSMJTSA-N 1 3 339.911 2.584 20 0 EFADHO O=C(NC[C@@H]1CCN(C/C=C\Cl)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001028594785 721247277 /nfs/dbraw/zinc/24/72/77/721247277.db2.gz LWXTVYKRMQUBNX-RJTUSMJTSA-N 1 3 339.911 2.584 20 0 EFADHO COc1ccc(C[NH+]2CCC(CNCc3ocnc3C)CC2)cc1 ZINC000894210631 721250041 /nfs/dbraw/zinc/25/00/41/721250041.db2.gz HPGHURDAUKHFQU-UHFFFAOYSA-N 1 3 329.444 2.993 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001026884984 721293783 /nfs/dbraw/zinc/29/37/83/721293783.db2.gz FBIQLCAAAJGTJL-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(CF)cc3)C2)CCC1 ZINC001026885823 721294287 /nfs/dbraw/zinc/29/42/87/721294287.db2.gz MZNSQURHDYENQZ-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001026885654 721294507 /nfs/dbraw/zinc/29/45/07/721294507.db2.gz KVLODYIOXPBPSI-ABHNRTSZSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885688 721294529 /nfs/dbraw/zinc/29/45/29/721294529.db2.gz LMHDGXQBMVNKSO-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001026888948 721297449 /nfs/dbraw/zinc/29/74/49/721297449.db2.gz PPUCTLZDQKTREJ-FXAWDEMLSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890051 721298939 /nfs/dbraw/zinc/29/89/39/721298939.db2.gz GUJWHVMCERUVPZ-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890354 721299744 /nfs/dbraw/zinc/29/97/44/721299744.db2.gz JBQAAYKHSOGVGG-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831433 721304161 /nfs/dbraw/zinc/30/41/61/721304161.db2.gz LFLOFDUEHIRWME-ALFLXDJESA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831433 721304163 /nfs/dbraw/zinc/30/41/63/721304163.db2.gz LFLOFDUEHIRWME-ALFLXDJESA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001026886158 721305194 /nfs/dbraw/zinc/30/51/94/721305194.db2.gz RTFQWZMXNXVPRB-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001026886169 721305247 /nfs/dbraw/zinc/30/52/47/721305247.db2.gz SELFMENIJMSIPD-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982832078 721305694 /nfs/dbraw/zinc/30/56/94/721305694.db2.gz UGDBIRGKUVUUSK-OYRHEFFESA-N 1 3 343.515 2.942 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982832078 721305698 /nfs/dbraw/zinc/30/56/98/721305698.db2.gz UGDBIRGKUVUUSK-OYRHEFFESA-N 1 3 343.515 2.942 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026886721 721306141 /nfs/dbraw/zinc/30/61/41/721306141.db2.gz DXAFTSBOKOCTJX-OXJNMPFZSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887534 721307313 /nfs/dbraw/zinc/30/73/13/721307313.db2.gz QQOCHTWTZCQKAU-YLJYHZDGSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888376 721308753 /nfs/dbraw/zinc/30/87/53/721308753.db2.gz FCBONZBLPDWYKE-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001026888683 721309042 /nfs/dbraw/zinc/30/90/42/721309042.db2.gz LFEUWKXPMNPKLU-CRAIPNDOSA-N 1 3 349.544 2.643 20 0 EFADHO C[N@H+](CC1CC1)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645670 724749910 /nfs/dbraw/zinc/74/99/10/724749910.db2.gz BKKDZMMYYMEUMI-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645670 724749912 /nfs/dbraw/zinc/74/99/12/724749912.db2.gz BKKDZMMYYMEUMI-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001026901392 721312341 /nfs/dbraw/zinc/31/23/41/721312341.db2.gz OIXOESCFNWEZQW-MOPGFXCFSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001026901549 721312793 /nfs/dbraw/zinc/31/27/93/721312793.db2.gz RTJDLMOFKZNBBF-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO C[N@H+](CC1CC1)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645668 724750088 /nfs/dbraw/zinc/75/00/88/724750088.db2.gz BKKDZMMYYMEUMI-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645668 724750091 /nfs/dbraw/zinc/75/00/91/724750091.db2.gz BKKDZMMYYMEUMI-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001026916186 721343419 /nfs/dbraw/zinc/34/34/19/721343419.db2.gz CRUGWDPEUDHXJX-NVXWUHKLSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001026917321 721344250 /nfs/dbraw/zinc/34/42/50/721344250.db2.gz ZRVCLDWLAYMLKB-OXJNMPFZSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000985647449 724754397 /nfs/dbraw/zinc/75/43/97/724754397.db2.gz QEMZVEJROYZVOA-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000985647449 724754400 /nfs/dbraw/zinc/75/44/00/724754400.db2.gz QEMZVEJROYZVOA-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761271 721399506 /nfs/dbraw/zinc/39/95/06/721399506.db2.gz ULKYMDZSRFNTBC-ZWKOTPCHSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761271 721399511 /nfs/dbraw/zinc/39/95/11/721399511.db2.gz ULKYMDZSRFNTBC-ZWKOTPCHSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3=CCCCC3)CC2)C1 ZINC000985652723 724761612 /nfs/dbraw/zinc/76/16/12/724761612.db2.gz HNTIJLCJXLKJOP-KRWDZBQOSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC000985652723 724761615 /nfs/dbraw/zinc/76/16/15/724761615.db2.gz HNTIJLCJXLKJOP-KRWDZBQOSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000985655240 724763945 /nfs/dbraw/zinc/76/39/45/724763945.db2.gz GLIPCVYTTNCCOX-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000985655240 724763947 /nfs/dbraw/zinc/76/39/47/724763947.db2.gz GLIPCVYTTNCCOX-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1)N(C)C ZINC000985655181 724763992 /nfs/dbraw/zinc/76/39/92/724763992.db2.gz FLJKCBNHVQNSTP-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1)N(C)C ZINC000985655181 724763995 /nfs/dbraw/zinc/76/39/95/724763995.db2.gz FLJKCBNHVQNSTP-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1)N(C)C ZINC000985654812 724764267 /nfs/dbraw/zinc/76/42/67/724764267.db2.gz DAEKCXLBWXHLQO-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1)N(C)C ZINC000985654812 724764268 /nfs/dbraw/zinc/76/42/68/724764268.db2.gz DAEKCXLBWXHLQO-PMACEKPBSA-N 1 3 343.515 2.937 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC2(CC2)CC1 ZINC001029852539 724772674 /nfs/dbraw/zinc/77/26/74/724772674.db2.gz CZZVQLWXTRCRIM-KRWDZBQOSA-N 1 3 344.503 2.703 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC2(CC2)CC1 ZINC001029852539 724772677 /nfs/dbraw/zinc/77/26/77/724772677.db2.gz CZZVQLWXTRCRIM-KRWDZBQOSA-N 1 3 344.503 2.703 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852556 724773137 /nfs/dbraw/zinc/77/31/37/724773137.db2.gz DNYYVCXNGIETKX-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029852556 724773140 /nfs/dbraw/zinc/77/31/40/724773140.db2.gz DNYYVCXNGIETKX-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC001029971062 724778381 /nfs/dbraw/zinc/77/83/81/724778381.db2.gz HIOCLJHUMLZEPA-HXUWFJFHSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC001029971062 724778383 /nfs/dbraw/zinc/77/83/83/724778383.db2.gz HIOCLJHUMLZEPA-HXUWFJFHSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001029972596 724784008 /nfs/dbraw/zinc/78/40/08/724784008.db2.gz QMIYBGBIRGDLHB-KVZIAJEVSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001029972596 724784009 /nfs/dbraw/zinc/78/40/09/724784009.db2.gz QMIYBGBIRGDLHB-KVZIAJEVSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985675941 724786108 /nfs/dbraw/zinc/78/61/08/724786108.db2.gz ZDPIVAXXCNHXHU-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985675941 724786113 /nfs/dbraw/zinc/78/61/13/724786113.db2.gz ZDPIVAXXCNHXHU-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675865 724786130 /nfs/dbraw/zinc/78/61/30/724786130.db2.gz XFYUCKNMVQISFL-HNNXBMFYSA-N 1 3 326.444 2.636 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675865 724786134 /nfs/dbraw/zinc/78/61/34/724786134.db2.gz XFYUCKNMVQISFL-HNNXBMFYSA-N 1 3 326.444 2.636 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1C ZINC000985674855 724786953 /nfs/dbraw/zinc/78/69/53/724786953.db2.gz LOQZCZXWDBSWRB-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1C ZINC000985674855 724786958 /nfs/dbraw/zinc/78/69/58/724786958.db2.gz LOQZCZXWDBSWRB-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001165026659 721806041 /nfs/dbraw/zinc/80/60/41/721806041.db2.gz RULGHLPOQKGRTA-RYQLBKOJSA-N 1 3 337.471 2.796 20 0 EFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cccc(N)n3)C[C@@H]21 ZINC001165026659 721806043 /nfs/dbraw/zinc/80/60/43/721806043.db2.gz RULGHLPOQKGRTA-RYQLBKOJSA-N 1 3 337.471 2.796 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028709744 721876374 /nfs/dbraw/zinc/87/63/74/721876374.db2.gz CXASSNUGWSRQNH-ZWIJEDICSA-N 1 3 349.906 2.595 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1coc2ccccc21 ZINC000924964943 721918470 /nfs/dbraw/zinc/91/84/70/721918470.db2.gz MCEVMCADUVRLKD-LSDHHAIUSA-N 1 3 329.444 2.671 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894299268 722003549 /nfs/dbraw/zinc/00/35/49/722003549.db2.gz LESROAPFAVQMMJ-RMPXNZIMSA-N 1 3 330.472 2.622 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894299268 722003551 /nfs/dbraw/zinc/00/35/51/722003551.db2.gz LESROAPFAVQMMJ-RMPXNZIMSA-N 1 3 330.472 2.622 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894299254 722003697 /nfs/dbraw/zinc/00/36/97/722003697.db2.gz LESROAPFAVQMMJ-BYUNMRKYSA-N 1 3 330.472 2.622 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894299254 722003700 /nfs/dbraw/zinc/00/37/00/722003700.db2.gz LESROAPFAVQMMJ-BYUNMRKYSA-N 1 3 330.472 2.622 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870806 722062646 /nfs/dbraw/zinc/06/26/46/722062646.db2.gz WLMOMGIPUPFQHC-FUHWJXTLSA-N 1 3 335.467 2.548 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028919515 722096981 /nfs/dbraw/zinc/09/69/81/722096981.db2.gz ZCOZROOLYMEXEK-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028919515 722096983 /nfs/dbraw/zinc/09/69/83/722096983.db2.gz ZCOZROOLYMEXEK-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000808 722617309 /nfs/dbraw/zinc/61/73/09/722617309.db2.gz KFEJKUNCOTZJMN-WMZOPIPTSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000808 722617310 /nfs/dbraw/zinc/61/73/10/722617310.db2.gz KFEJKUNCOTZJMN-WMZOPIPTSA-N 1 3 335.467 2.548 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000709 722617350 /nfs/dbraw/zinc/61/73/50/722617350.db2.gz IEMDZQGWGCYDTA-GOSISDBHSA-N 1 3 329.488 2.766 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000709 722617351 /nfs/dbraw/zinc/61/73/51/722617351.db2.gz IEMDZQGWGCYDTA-GOSISDBHSA-N 1 3 329.488 2.766 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001029001198 722618137 /nfs/dbraw/zinc/61/81/37/722618137.db2.gz RERFVBSAHSERPP-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001029001198 722618139 /nfs/dbraw/zinc/61/81/39/722618139.db2.gz RERFVBSAHSERPP-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001029002942 722621131 /nfs/dbraw/zinc/62/11/31/722621131.db2.gz FAJIOZYLDZNUBP-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001029002942 722621132 /nfs/dbraw/zinc/62/11/32/722621132.db2.gz FAJIOZYLDZNUBP-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001029065152 722725078 /nfs/dbraw/zinc/72/50/78/722725078.db2.gz CXXGJWQJBZDHSA-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065188 722725191 /nfs/dbraw/zinc/72/51/91/722725191.db2.gz DHOAGDMYFKGIBR-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065607 722725798 /nfs/dbraw/zinc/72/57/98/722725798.db2.gz JECULOLTDMSTTN-APWZRJJASA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066069 722726208 /nfs/dbraw/zinc/72/62/08/722726208.db2.gz NZHHRCQSTGFALY-QAPCUYQASA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066489 722727339 /nfs/dbraw/zinc/72/73/39/722727339.db2.gz VKMIDXDWFJJPLT-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC000939137375 728762169 /nfs/dbraw/zinc/76/21/69/728762169.db2.gz HECFAERCSHRGAF-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3nccc4sccc43)CC2)CC1 ZINC000894523326 722770551 /nfs/dbraw/zinc/77/05/51/722770551.db2.gz WCQXWGLJEZRCKS-UHFFFAOYSA-N 1 3 330.501 2.760 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000894624937 722801286 /nfs/dbraw/zinc/80/12/86/722801286.db2.gz XMXLVSSCHRJKKM-UZLBHIALSA-N 1 3 346.471 2.545 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000894624937 722801289 /nfs/dbraw/zinc/80/12/89/722801289.db2.gz XMXLVSSCHRJKKM-UZLBHIALSA-N 1 3 346.471 2.545 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000894750436 722835684 /nfs/dbraw/zinc/83/56/84/722835684.db2.gz HXMMDAOHOVXGAU-JENIJYKNSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000894750436 722835685 /nfs/dbraw/zinc/83/56/85/722835685.db2.gz HXMMDAOHOVXGAU-JENIJYKNSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029107476 722878029 /nfs/dbraw/zinc/87/80/29/722878029.db2.gz OCOXFVNDSORIBV-KSSFIOAISA-N 1 3 349.544 2.805 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001029111215 722883313 /nfs/dbraw/zinc/88/33/13/722883313.db2.gz DJETWCOLQRXYKH-HNAYVOBHSA-N 1 3 349.494 2.883 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC[C@H]1CCC[N@H+](C)C1 ZINC000894860967 722908151 /nfs/dbraw/zinc/90/81/51/722908151.db2.gz MFNOHENCXFVGDT-CYBMUJFWSA-N 1 3 344.425 2.988 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC[C@H]1CCC[N@@H+](C)C1 ZINC000894860967 722908153 /nfs/dbraw/zinc/90/81/53/722908153.db2.gz MFNOHENCXFVGDT-CYBMUJFWSA-N 1 3 344.425 2.988 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029140045 722918760 /nfs/dbraw/zinc/91/87/60/722918760.db2.gz OSUBQTYYMNGQRV-YLJYHZDGSA-N 1 3 345.531 2.990 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147067 722925287 /nfs/dbraw/zinc/92/52/87/722925287.db2.gz MXKCFSKIZAVERW-CVEARBPZSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029146978 722925310 /nfs/dbraw/zinc/92/53/10/722925310.db2.gz LTAQOBISRAUJQO-ROUUACIJSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150102 722927986 /nfs/dbraw/zinc/92/79/86/722927986.db2.gz IXTSUNKNXYUQCS-CQSZACIVSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001029151295 722928630 /nfs/dbraw/zinc/92/86/30/722928630.db2.gz ZYAWMCUZMCRDOO-HOTGVXAUSA-N 1 3 340.471 2.930 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC001029153208 722930000 /nfs/dbraw/zinc/93/00/00/722930000.db2.gz MUCGPJIINQXAGF-CQSZACIVSA-N 1 3 346.500 2.739 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172678 722940701 /nfs/dbraw/zinc/94/07/01/722940701.db2.gz FYKNLVCWADDJEH-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)[NH2+][C@@H](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001029173173 722941411 /nfs/dbraw/zinc/94/14/11/722941411.db2.gz MXNYKTJAEFFRGS-INIZCTEOSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174152 722942148 /nfs/dbraw/zinc/94/21/48/722942148.db2.gz UZEOWHGJUOLXCB-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc4c3OCC4)CC2)CC1 ZINC000894976741 723041597 /nfs/dbraw/zinc/04/15/97/723041597.db2.gz HEGWOXKBSDMFBI-UHFFFAOYSA-N 1 3 343.515 2.614 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc4c3OCC4)CC2)CC1 ZINC000894976741 723041600 /nfs/dbraw/zinc/04/16/00/723041600.db2.gz HEGWOXKBSDMFBI-UHFFFAOYSA-N 1 3 343.515 2.614 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000895943196 723066092 /nfs/dbraw/zinc/06/60/92/723066092.db2.gz VQZCLNIDDBXDMR-LPHOPBHVSA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000895943196 723066094 /nfs/dbraw/zinc/06/60/94/723066094.db2.gz VQZCLNIDDBXDMR-LPHOPBHVSA-N 1 3 347.503 2.581 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473639 723284619 /nfs/dbraw/zinc/28/46/19/723284619.db2.gz QIUYVRFQJOJUBI-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473639 723284624 /nfs/dbraw/zinc/28/46/24/723284624.db2.gz QIUYVRFQJOJUBI-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029306036 723320736 /nfs/dbraw/zinc/32/07/36/723320736.db2.gz DUYARDUKJLVYBY-KSZLIROESA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029306036 723320740 /nfs/dbraw/zinc/32/07/40/723320740.db2.gz DUYARDUKJLVYBY-KSZLIROESA-N 1 3 335.536 2.971 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000896494735 723325654 /nfs/dbraw/zinc/32/56/54/723325654.db2.gz CMUJNGOMFWRSJW-UHOSZYNNSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000896494735 723325658 /nfs/dbraw/zinc/32/56/58/723325658.db2.gz CMUJNGOMFWRSJW-UHOSZYNNSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000939211677 728819011 /nfs/dbraw/zinc/81/90/11/728819011.db2.gz URXVUSFAAOCQLK-RHSMWYFYSA-N 1 3 332.492 2.605 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029330344 723363864 /nfs/dbraw/zinc/36/38/64/723363864.db2.gz LPVLEEOCQUXRCH-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029330344 723363868 /nfs/dbraw/zinc/36/38/68/723363868.db2.gz LPVLEEOCQUXRCH-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC000939210222 728817930 /nfs/dbraw/zinc/81/79/30/728817930.db2.gz MHSRMMFJNJGQET-BEFAXECRSA-N 1 3 340.471 2.712 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC000984800170 723494634 /nfs/dbraw/zinc/49/46/34/723494634.db2.gz OZMROAHRSIIAKU-MZMPZRCHSA-N 1 3 349.544 2.834 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC000984801007 723494987 /nfs/dbraw/zinc/49/49/87/723494987.db2.gz WEAWERLMWCAYOP-SFNKJDCFSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000984804163 723495953 /nfs/dbraw/zinc/49/59/53/723495953.db2.gz MFSOQYPXUATTHP-ZBABMDLNSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000984806491 723496763 /nfs/dbraw/zinc/49/67/63/723496763.db2.gz YFEQYTSUYLCLSI-QQTQMKHKSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC000984806701 723497155 /nfs/dbraw/zinc/49/71/55/723497155.db2.gz ZXUYHEWBUPGCJM-BFYDXBDKSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000984806932 723497179 /nfs/dbraw/zinc/49/71/79/723497179.db2.gz CIRHWKCXUQAYRX-JCNLHEQBSA-N 1 3 349.544 2.773 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC2=CCCCC2)CC1 ZINC001029503643 723582085 /nfs/dbraw/zinc/58/20/85/723582085.db2.gz BSZPFXHFADWZEB-BGYRXZFFSA-N 1 3 345.531 2.894 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC000948066699 728836473 /nfs/dbraw/zinc/83/64/73/728836473.db2.gz QNBBCVAREQOIFP-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC000948066699 728836475 /nfs/dbraw/zinc/83/64/75/728836475.db2.gz QNBBCVAREQOIFP-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001029550293 723869951 /nfs/dbraw/zinc/86/99/51/723869951.db2.gz IIQQWGNUNILHEV-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029550293 723869953 /nfs/dbraw/zinc/86/99/53/723869953.db2.gz IIQQWGNUNILHEV-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC000985147338 723883192 /nfs/dbraw/zinc/88/31/92/723883192.db2.gz YPXJYCVDUXPBCL-ZULIPRJHSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000985147824 723883664 /nfs/dbraw/zinc/88/36/64/723883664.db2.gz FADVFMBUYQFXDF-ZHZCFWQKSA-N 1 3 335.517 2.605 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985147874 723884188 /nfs/dbraw/zinc/88/41/88/723884188.db2.gz FKZMRGPBNKLXOK-CMIRHGDUSA-N 1 3 335.536 2.780 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985147893 723884439 /nfs/dbraw/zinc/88/44/39/723884439.db2.gz FKZMRGPBNKLXOK-YFHUEUNASA-N 1 3 335.536 2.780 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC000985150524 723889337 /nfs/dbraw/zinc/88/93/37/723889337.db2.gz SWJXWVVAUYFPSS-SOAMZJECSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)N(C)C ZINC000895292369 723994583 /nfs/dbraw/zinc/99/45/83/723994583.db2.gz FRAJBMDGZUDKGA-PMPSAXMXSA-N 1 3 327.513 2.952 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)N(C)C ZINC000895292365 723994804 /nfs/dbraw/zinc/99/48/04/723994804.db2.gz FRAJBMDGZUDKGA-OWCLPIDISA-N 1 3 327.513 2.952 20 0 EFADHO CN1CCN(c2ncccc2C[NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000727468584 724064838 /nfs/dbraw/zinc/06/48/38/724064838.db2.gz SZEPVBJULWKZQQ-UHFFFAOYSA-N 1 3 347.466 2.671 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029438079 724132710 /nfs/dbraw/zinc/13/27/10/724132710.db2.gz HTDNAIDDZZBLKT-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029438079 724132711 /nfs/dbraw/zinc/13/27/11/724132711.db2.gz HTDNAIDDZZBLKT-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000985332132 724133071 /nfs/dbraw/zinc/13/30/71/724133071.db2.gz AOVRUKMSJODHPS-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000985332132 724133072 /nfs/dbraw/zinc/13/30/72/724133072.db2.gz AOVRUKMSJODHPS-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000985334572 724135707 /nfs/dbraw/zinc/13/57/07/724135707.db2.gz ODNDVPVCSWHRGM-VQTJNVASSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000985334572 724135710 /nfs/dbraw/zinc/13/57/10/724135710.db2.gz ODNDVPVCSWHRGM-VQTJNVASSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000985334579 724135776 /nfs/dbraw/zinc/13/57/76/724135776.db2.gz ODNDVPVCSWHRGM-WOJBJXKFSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000985334579 724135781 /nfs/dbraw/zinc/13/57/81/724135781.db2.gz ODNDVPVCSWHRGM-WOJBJXKFSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC2=CCCCC2)CC1 ZINC000985333104 724139324 /nfs/dbraw/zinc/13/93/24/724139324.db2.gz XKJDDMQFEVLDDH-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC2=CCCCC2)CC1 ZINC000985333104 724139325 /nfs/dbraw/zinc/13/93/25/724139325.db2.gz XKJDDMQFEVLDDH-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000895521064 724173400 /nfs/dbraw/zinc/17/34/00/724173400.db2.gz DRYSPWRXFYTIMY-IBGZPJMESA-N 1 3 347.503 2.723 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001029596416 724200675 /nfs/dbraw/zinc/20/06/75/724200675.db2.gz KCGGFDPJFPLWHE-KDURUIRLSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029596416 724200679 /nfs/dbraw/zinc/20/06/79/724200679.db2.gz KCGGFDPJFPLWHE-KDURUIRLSA-N 1 3 341.499 2.837 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029595219 724200688 /nfs/dbraw/zinc/20/06/88/724200688.db2.gz DGRWDTIHDXDREW-PBWTXFEYSA-N 1 3 347.547 2.971 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029595219 724200693 /nfs/dbraw/zinc/20/06/93/724200693.db2.gz DGRWDTIHDXDREW-PBWTXFEYSA-N 1 3 347.547 2.971 20 0 EFADHO CCn1ccnc1[C@@H]1OCC[C@H]1C[NH+]1CCC(CC)(N2CCC2)CC1 ZINC000895823524 724334032 /nfs/dbraw/zinc/33/40/32/724334032.db2.gz WXMSWBPQIVONOE-ZWKOTPCHSA-N 1 3 346.519 2.931 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029671633 724359806 /nfs/dbraw/zinc/35/98/06/724359806.db2.gz ALJXVNPVYAHEEZ-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029671633 724359808 /nfs/dbraw/zinc/35/98/08/724359808.db2.gz ALJXVNPVYAHEEZ-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672632 724361529 /nfs/dbraw/zinc/36/15/29/724361529.db2.gz LTVDLKAHVWTDJS-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001029672632 724361532 /nfs/dbraw/zinc/36/15/32/724361532.db2.gz LTVDLKAHVWTDJS-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672513 724361594 /nfs/dbraw/zinc/36/15/94/724361594.db2.gz JQRUEGJGRFMCEO-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672513 724361597 /nfs/dbraw/zinc/36/15/97/724361597.db2.gz JQRUEGJGRFMCEO-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029672535 724362177 /nfs/dbraw/zinc/36/21/77/724362177.db2.gz JSBXAKJKICHDQV-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029672535 724362179 /nfs/dbraw/zinc/36/21/79/724362179.db2.gz JSBXAKJKICHDQV-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029673160 724363622 /nfs/dbraw/zinc/36/36/22/724363622.db2.gz WQBOPQSFUOGRFX-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029673160 724363626 /nfs/dbraw/zinc/36/36/26/724363626.db2.gz WQBOPQSFUOGRFX-AZUAARDMSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029674990 724366307 /nfs/dbraw/zinc/36/63/07/724366307.db2.gz JUQVAGLDKFLHIX-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029674990 724366310 /nfs/dbraw/zinc/36/63/10/724366310.db2.gz JUQVAGLDKFLHIX-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001029675600 724368882 /nfs/dbraw/zinc/36/88/82/724368882.db2.gz REYZFMXQJSLQRR-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001029675600 724368887 /nfs/dbraw/zinc/36/88/87/724368887.db2.gz REYZFMXQJSLQRR-IEBWSBKVSA-N 1 3 347.478 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675992 724369708 /nfs/dbraw/zinc/36/97/08/724369708.db2.gz YZUDGRWPAQPEDR-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001029675992 724369711 /nfs/dbraw/zinc/36/97/11/724369711.db2.gz YZUDGRWPAQPEDR-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985790691 724885857 /nfs/dbraw/zinc/88/58/57/724885857.db2.gz XMOQDOMUTHAPKB-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985790691 724885860 /nfs/dbraw/zinc/88/58/60/724885860.db2.gz XMOQDOMUTHAPKB-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793244 724889770 /nfs/dbraw/zinc/88/97/70/724889770.db2.gz PWWOVVKLHDSMIP-UHFFFAOYSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793244 724889773 /nfs/dbraw/zinc/88/97/73/724889773.db2.gz PWWOVVKLHDSMIP-UHFFFAOYSA-N 1 3 349.906 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000985803189 724897829 /nfs/dbraw/zinc/89/78/29/724897829.db2.gz CLEMNCRZTJAMJD-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985803189 724897832 /nfs/dbraw/zinc/89/78/32/724897832.db2.gz CLEMNCRZTJAMJD-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@H+](C)CC2CC2)CC1 ZINC000985803234 724897910 /nfs/dbraw/zinc/89/79/10/724897910.db2.gz CYYIMRWQCIVYSW-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([N@@H+](C)CC2CC2)CC1 ZINC000985803234 724897912 /nfs/dbraw/zinc/89/79/12/724897912.db2.gz CYYIMRWQCIVYSW-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([N@H+](C)CC3CC3)CC2)c1 ZINC000985804493 724899248 /nfs/dbraw/zinc/89/92/48/724899248.db2.gz OATVGBULLQLXBO-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([N@@H+](C)CC3CC3)CC2)c1 ZINC000985804493 724899251 /nfs/dbraw/zinc/89/92/51/724899251.db2.gz OATVGBULLQLXBO-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986937146 724960974 /nfs/dbraw/zinc/96/09/74/724960974.db2.gz IIJGXFIUFNWNHT-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940487 724962716 /nfs/dbraw/zinc/96/27/16/724962716.db2.gz QJHMLPSPNKZVBA-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942568 724963632 /nfs/dbraw/zinc/96/36/32/724963632.db2.gz UPXGTZKFDOPHEO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)CC1 ZINC001029874783 724967598 /nfs/dbraw/zinc/96/75/98/724967598.db2.gz COWBRPQSLIGVPG-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC001029874783 724967599 /nfs/dbraw/zinc/96/75/99/724967599.db2.gz COWBRPQSLIGVPG-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)cs1 ZINC000986943092 724977668 /nfs/dbraw/zinc/97/76/68/724977668.db2.gz VLRNWPYORSUERM-DOTOQJQBSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)cs1 ZINC000986943095 724977865 /nfs/dbraw/zinc/97/78/65/724977865.db2.gz VLRNWPYORSUERM-WBVHZDCISA-N 1 3 349.544 2.867 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCC3)C2)CC1 ZINC001029876224 724980042 /nfs/dbraw/zinc/98/00/42/724980042.db2.gz WLVHDDBRJQZNLA-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CC1 ZINC001029876224 724980046 /nfs/dbraw/zinc/98/00/46/724980046.db2.gz WLVHDDBRJQZNLA-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986961101 724991823 /nfs/dbraw/zinc/99/18/23/724991823.db2.gz RTVRXAPZYTWYDO-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986961108 724991934 /nfs/dbraw/zinc/99/19/34/724991934.db2.gz RTVRXAPZYTWYDO-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986962395 724993325 /nfs/dbraw/zinc/99/33/25/724993325.db2.gz UUDNRSWBAYRBES-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986962398 724993339 /nfs/dbraw/zinc/99/33/39/724993339.db2.gz UUDNRSWBAYRBES-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO CC1CCC(C[N@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001030000065 724994841 /nfs/dbraw/zinc/99/48/41/724994841.db2.gz RTNNTKKLVBGHLA-UHFFFAOYSA-N 1 3 346.519 2.949 20 0 EFADHO CC1CCC(C[N@@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001030000065 724994842 /nfs/dbraw/zinc/99/48/42/724994842.db2.gz RTNNTKKLVBGHLA-UHFFFAOYSA-N 1 3 346.519 2.949 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000421 724995606 /nfs/dbraw/zinc/99/56/06/724995606.db2.gz YVALXFADSVCROU-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000421 724995607 /nfs/dbraw/zinc/99/56/07/724995607.db2.gz YVALXFADSVCROU-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000918862210 728936602 /nfs/dbraw/zinc/93/66/02/728936602.db2.gz WEIRPYRMGOOMIG-SFHVURJKSA-N 1 3 344.503 2.607 20 0 EFADHO C[N@@H+](Cc1ccccc1F)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013912 725438128 /nfs/dbraw/zinc/43/81/28/725438128.db2.gz YYYRFCYJOZLGFJ-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](Cc1ccccc1F)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013912 725438129 /nfs/dbraw/zinc/43/81/29/725438129.db2.gz YYYRFCYJOZLGFJ-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@H+](C)CC3CC3)CC2)c1 ZINC001030014758 725440508 /nfs/dbraw/zinc/44/05/08/725440508.db2.gz LSVADVDAGXDADK-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@@H+](C)CC3CC3)CC2)c1 ZINC001030014758 725440510 /nfs/dbraw/zinc/44/05/10/725440510.db2.gz LSVADVDAGXDADK-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056154 725465897 /nfs/dbraw/zinc/46/58/97/725465897.db2.gz DSMRPQREGXMISS-YOEHRIQHSA-N 1 3 330.476 2.502 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066649 725477642 /nfs/dbraw/zinc/47/76/42/725477642.db2.gz KXLNTCYANDISDZ-AUUYWEPGSA-N 1 3 338.455 2.609 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2F)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000987122006 725523496 /nfs/dbraw/zinc/52/34/96/725523496.db2.gz BJMGNMDBINVLDH-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252769 725612688 /nfs/dbraw/zinc/61/26/88/725612688.db2.gz GVIPLSSTBNROTP-AEFFLSMTSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)cc1 ZINC000987254395 725613556 /nfs/dbraw/zinc/61/35/56/725613556.db2.gz KVBHQAKLQXEVKW-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255832 725614050 /nfs/dbraw/zinc/61/40/50/725614050.db2.gz QVSKGEBQIKLTGI-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(C)c1 ZINC000987516089 725732146 /nfs/dbraw/zinc/73/21/46/725732146.db2.gz CLAOVGQTQBOJHQ-UYAOXDASSA-N 1 3 343.515 2.787 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)CN1CCCC1 ZINC000987531158 725736287 /nfs/dbraw/zinc/73/62/87/725736287.db2.gz LGPNKNFYLNRXEH-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987523833 725739312 /nfs/dbraw/zinc/73/93/12/725739312.db2.gz KRGHCKMXEFXVMA-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC000987532382 725741041 /nfs/dbraw/zinc/74/10/41/725741041.db2.gz PSTXUYCOBXQHBI-CRAIPNDOSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC000987532389 725741076 /nfs/dbraw/zinc/74/10/76/725741076.db2.gz PSTXUYCOBXQHBI-YJBOKZPZSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)C4)CCC[C@@H]23)cs1 ZINC000992488951 725887632 /nfs/dbraw/zinc/88/76/32/725887632.db2.gz DMOJYARNHPDRSE-ZHALLVOQSA-N 1 3 347.528 2.621 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)C4)CCC[C@@H]23)cs1 ZINC000992488951 725887635 /nfs/dbraw/zinc/88/76/35/725887635.db2.gz DMOJYARNHPDRSE-ZHALLVOQSA-N 1 3 347.528 2.621 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCF)CC3)c1 ZINC000992509350 725912503 /nfs/dbraw/zinc/91/25/03/725912503.db2.gz NCTXMUYDBPDDNR-UYAOXDASSA-N 1 3 347.478 2.835 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCCF)CC3)c1 ZINC000992509350 725912504 /nfs/dbraw/zinc/91/25/04/725912504.db2.gz NCTXMUYDBPDDNR-UYAOXDASSA-N 1 3 347.478 2.835 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)CCCC[NH+]1CCCC1 ZINC000729316514 726230957 /nfs/dbraw/zinc/23/09/57/726230957.db2.gz WLCNVJPARINIBB-UHFFFAOYSA-N 1 3 333.476 2.961 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390369 726277528 /nfs/dbraw/zinc/27/75/28/726277528.db2.gz CDUXLALDGBLKKQ-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390369 726277529 /nfs/dbraw/zinc/27/75/29/726277529.db2.gz CDUXLALDGBLKKQ-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000729346325 726318735 /nfs/dbraw/zinc/31/87/35/726318735.db2.gz PPSTWGSXWBTWOQ-IBGZPJMESA-N 1 3 331.504 2.980 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992920189 726338794 /nfs/dbraw/zinc/33/87/94/726338794.db2.gz AURCTGGFOKZOAO-XUVXKRRUSA-N 1 3 343.515 2.989 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992926518 726342677 /nfs/dbraw/zinc/34/26/77/726342677.db2.gz OWHKFSHOXPBMTF-GUDVDZBRSA-N 1 3 329.488 2.598 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597151 726855626 /nfs/dbraw/zinc/85/56/26/726855626.db2.gz NHNNHHWPQOVHQW-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597151 726855631 /nfs/dbraw/zinc/85/56/31/726855631.db2.gz NHNNHHWPQOVHQW-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO COCC[N@H+](C)CCCNCc1sc2nc(C)nc(C)c2c1C ZINC000915229047 726907805 /nfs/dbraw/zinc/90/78/05/726907805.db2.gz UYXXTJFTMRCYTC-UHFFFAOYSA-N 1 3 336.505 2.674 20 0 EFADHO COCC[N@@H+](C)CCCNCc1sc2nc(C)nc(C)c2c1C ZINC000915229047 726907806 /nfs/dbraw/zinc/90/78/06/726907806.db2.gz UYXXTJFTMRCYTC-UHFFFAOYSA-N 1 3 336.505 2.674 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[C@H](c1ccccc1)N(C)C ZINC000907449483 726946770 /nfs/dbraw/zinc/94/67/70/726946770.db2.gz WZRYPVHCLUHAHK-DSLXNQLJSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)[C@H](c1ccccc1)N(C)C ZINC000907449483 726946773 /nfs/dbraw/zinc/94/67/73/726946773.db2.gz WZRYPVHCLUHAHK-DSLXNQLJSA-N 1 3 329.488 2.811 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091583 727090287 /nfs/dbraw/zinc/09/02/87/727090287.db2.gz JTHLWHIBZKDTSR-HKUYNNGSSA-N 1 3 347.503 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091583 727090289 /nfs/dbraw/zinc/09/02/89/727090289.db2.gz JTHLWHIBZKDTSR-HKUYNNGSSA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)=CCN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481713 727288873 /nfs/dbraw/zinc/28/88/73/727288873.db2.gz SASTYNMSZOACOK-ROUUACIJSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993481715 727288967 /nfs/dbraw/zinc/28/89/67/727288967.db2.gz SASTYNMSZOACOK-ZWKOTPCHSA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000910278307 727426447 /nfs/dbraw/zinc/42/64/47/727426447.db2.gz DLVDZRPNYKWPIZ-QGZVFWFLSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@@H+]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000910289554 727428201 /nfs/dbraw/zinc/42/82/01/727428201.db2.gz TWKOPTMYIMGLCI-QGZVFWFLSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@H+]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H](C)C1 ZINC000910289554 727428202 /nfs/dbraw/zinc/42/82/02/727428202.db2.gz TWKOPTMYIMGLCI-QGZVFWFLSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1 ZINC000993765974 727517675 /nfs/dbraw/zinc/51/76/75/727517675.db2.gz WPWXJNSPESVTOA-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC000994082689 727593984 /nfs/dbraw/zinc/59/39/84/727593984.db2.gz RGUYMXWFXMXAQV-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO CC1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccsc3)[C@@H]2C)CC1 ZINC000994082689 727593986 /nfs/dbraw/zinc/59/39/86/727593986.db2.gz RGUYMXWFXMXAQV-AEFFLSMTSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCF ZINC000994464542 727761088 /nfs/dbraw/zinc/76/10/88/727761088.db2.gz OGZSDZNIXCCSAW-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCF ZINC000994464542 727761089 /nfs/dbraw/zinc/76/10/89/727761089.db2.gz OGZSDZNIXCCSAW-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000994464467 727761161 /nfs/dbraw/zinc/76/11/61/727761161.db2.gz NWKUAPIKMOSSBO-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CC1CC1 ZINC000994464467 727761163 /nfs/dbraw/zinc/76/11/63/727761163.db2.gz NWKUAPIKMOSSBO-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CC1CC1 ZINC000994486998 727769280 /nfs/dbraw/zinc/76/92/80/727769280.db2.gz NYNSVGFUBXGFDO-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CC1CC1 ZINC000994486998 727769281 /nfs/dbraw/zinc/76/92/81/727769281.db2.gz NYNSVGFUBXGFDO-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994502381 727772412 /nfs/dbraw/zinc/77/24/12/727772412.db2.gz UOWXRCZOUSHRHR-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H]1C ZINC000994502381 727772414 /nfs/dbraw/zinc/77/24/14/727772414.db2.gz UOWXRCZOUSHRHR-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000913100293 727782033 /nfs/dbraw/zinc/78/20/33/727782033.db2.gz QOFPZRNYIAJSRZ-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948244945 727957855 /nfs/dbraw/zinc/95/78/55/727957855.db2.gz LNHAABPXBWBWDQ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948244945 727957856 /nfs/dbraw/zinc/95/78/56/727957856.db2.gz LNHAABPXBWBWDQ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cc1CN1CCCCC1 ZINC000183204782 727994306 /nfs/dbraw/zinc/99/43/06/727994306.db2.gz ZRELCYFDKIXXQY-OAHLLOKOSA-N 1 3 347.503 2.843 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CCCCNC2=O)ccc1OC ZINC000182339395 728092305 /nfs/dbraw/zinc/09/23/05/728092305.db2.gz PWUYBJFMNBYLRL-CRAIPNDOSA-N 1 3 347.503 2.856 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000948369285 728143164 /nfs/dbraw/zinc/14/31/64/728143164.db2.gz YWGCSZGXZLSBFR-IRMRGROASA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000948369285 728143165 /nfs/dbraw/zinc/14/31/65/728143165.db2.gz YWGCSZGXZLSBFR-IRMRGROASA-N 1 3 341.927 2.925 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000995185512 728204782 /nfs/dbraw/zinc/20/47/82/728204782.db2.gz OJNRWLUBNBOABC-QZTJIDSGSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000995187219 728217059 /nfs/dbraw/zinc/21/70/59/728217059.db2.gz RLQYENMOKNIXFE-IRXDYDNUSA-N 1 3 330.476 2.636 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000995187550 728224824 /nfs/dbraw/zinc/22/48/24/728224824.db2.gz SVZOSBGQIWYNMP-GDBMZVCRSA-N 1 3 346.500 2.705 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000158117511 728304119 /nfs/dbraw/zinc/30/41/19/728304119.db2.gz ISMOQVOCAHCAAQ-CQDKDKBSSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000158117511 728304120 /nfs/dbraw/zinc/30/41/20/728304120.db2.gz ISMOQVOCAHCAAQ-CQDKDKBSSA-N 1 3 327.266 2.555 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948329 728311999 /nfs/dbraw/zinc/31/19/99/728311999.db2.gz OOPLOZYGDKZYLF-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000158225419 728324184 /nfs/dbraw/zinc/32/41/84/728324184.db2.gz GOSIHTWNDRWFGT-IAGOWNOFSA-N 1 3 342.487 2.932 20 0 EFADHO COc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000158225419 728324189 /nfs/dbraw/zinc/32/41/89/728324189.db2.gz GOSIHTWNDRWFGT-IAGOWNOFSA-N 1 3 342.487 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031919352 728363330 /nfs/dbraw/zinc/36/33/30/728363330.db2.gz SYJUIOZRUTZQMI-YLJYHZDGSA-N 1 3 343.515 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031919352 728363334 /nfs/dbraw/zinc/36/33/34/728363334.db2.gz SYJUIOZRUTZQMI-YLJYHZDGSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001031920835 728369971 /nfs/dbraw/zinc/36/99/71/728369971.db2.gz ARKBGWDTESBYKT-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001031920835 728369972 /nfs/dbraw/zinc/36/99/72/728369972.db2.gz ARKBGWDTESBYKT-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921544 728371923 /nfs/dbraw/zinc/37/19/23/728371923.db2.gz SHZDRJPQBRSUSN-LPHOPBHVSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921544 728371924 /nfs/dbraw/zinc/37/19/24/728371924.db2.gz SHZDRJPQBRSUSN-LPHOPBHVSA-N 1 3 343.515 2.527 20 0 EFADHO O=C(NC1C[NH+](CC2CCCCCC2)C1)c1ccn2cncc2c1 ZINC001030618322 728526681 /nfs/dbraw/zinc/52/66/81/728526681.db2.gz DTXOPKGVFNFWOJ-UHFFFAOYSA-N 1 3 326.444 2.719 20 0 EFADHO CC1CCC(CN2CC(NC(=O)c3ccn4cncc4c3)C2)CC1 ZINC001030618724 728528267 /nfs/dbraw/zinc/52/82/67/728528267.db2.gz SXRBJHOAKOIUTM-UHFFFAOYSA-N 1 3 326.444 2.575 20 0 EFADHO CC1CCC(CN2CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001030618724 728528269 /nfs/dbraw/zinc/52/82/69/728528269.db2.gz SXRBJHOAKOIUTM-UHFFFAOYSA-N 1 3 326.444 2.575 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833627 728538785 /nfs/dbraw/zinc/53/87/85/728538785.db2.gz ZCNFQQGPBBBRKE-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948833628 728538822 /nfs/dbraw/zinc/53/88/22/728538822.db2.gz ZCNFQQGPBBBRKE-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CN(C)CC1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC1 ZINC000923867787 729012723 /nfs/dbraw/zinc/01/27/23/729012723.db2.gz OHOOFYKBUQIZJX-UHFFFAOYSA-N 1 3 326.444 2.926 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939800137 729125837 /nfs/dbraw/zinc/12/58/37/729125837.db2.gz FTYWIRRGMZPAFK-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CCC1CC1 ZINC000939806237 729129440 /nfs/dbraw/zinc/12/94/40/729129440.db2.gz DVKMMISMZUBCRQ-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665609 729199059 /nfs/dbraw/zinc/19/90/59/729199059.db2.gz BQVLKHVNGCKQAX-FXAWDEMLSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665609 729199061 /nfs/dbraw/zinc/19/90/61/729199061.db2.gz BQVLKHVNGCKQAX-FXAWDEMLSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc1C ZINC001031665675 729199501 /nfs/dbraw/zinc/19/95/01/729199501.db2.gz DEYHQZGBERXQQT-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1C ZINC001031665675 729199504 /nfs/dbraw/zinc/19/95/04/729199504.db2.gz DEYHQZGBERXQQT-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681426 729252833 /nfs/dbraw/zinc/25/28/33/729252833.db2.gz REBJSNFLBFVOCO-OXQOHEQNSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681426 729252835 /nfs/dbraw/zinc/25/28/35/729252835.db2.gz REBJSNFLBFVOCO-OXQOHEQNSA-N 1 3 343.515 2.698 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001031684491 729257683 /nfs/dbraw/zinc/25/76/83/729257683.db2.gz PZAYMRFJJQBSNN-FFZOFVMBSA-N 1 3 343.515 2.834 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001031684491 729257687 /nfs/dbraw/zinc/25/76/87/729257687.db2.gz PZAYMRFJJQBSNN-FFZOFVMBSA-N 1 3 343.515 2.834 20 0 EFADHO CCC(CC)C[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040869434 729476982 /nfs/dbraw/zinc/47/69/82/729476982.db2.gz IBUWXDWCUXZULC-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031713758 729497045 /nfs/dbraw/zinc/49/70/45/729497045.db2.gz FDQWIKUFUFKDQP-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001031714782 729497269 /nfs/dbraw/zinc/49/72/69/729497269.db2.gz MVQYITDRRBPQOC-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001031714782 729497271 /nfs/dbraw/zinc/49/72/71/729497271.db2.gz MVQYITDRRBPQOC-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031715066 729497920 /nfs/dbraw/zinc/49/79/20/729497920.db2.gz PSQSYKQPQPSPGE-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040874983 729513774 /nfs/dbraw/zinc/51/37/74/729513774.db2.gz NSTNSFAJOUOUDF-GOSISDBHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040874984 729513899 /nfs/dbraw/zinc/51/38/99/729513899.db2.gz NSTNSFAJOUOUDF-SFHVURJKSA-N 1 3 335.536 2.972 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730092 729557383 /nfs/dbraw/zinc/55/73/83/729557383.db2.gz DCFQTMRKKVIXBH-HXUWFJFHSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001031730092 729557385 /nfs/dbraw/zinc/55/73/85/729557385.db2.gz DCFQTMRKKVIXBH-HXUWFJFHSA-N 1 3 345.531 2.942 20 0 EFADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccccc1Cl ZINC000939064261 729780684 /nfs/dbraw/zinc/78/06/84/729780684.db2.gz TULWJOPSDOYBAE-KBXCAEBGSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCc1ccccc1Cl ZINC000939064264 729780711 /nfs/dbraw/zinc/78/07/11/729780711.db2.gz TULWJOPSDOYBAE-RDTXWAMCSA-N 1 3 349.906 2.618 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922394288 1126135335 /nfs/dbraw/zinc/13/53/35/1126135335.db2.gz PQFPKPXXKIFVHO-LMSBXDPUSA-N 1 3 337.533 2.665 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922394288 1126135337 /nfs/dbraw/zinc/13/53/37/1126135337.db2.gz PQFPKPXXKIFVHO-LMSBXDPUSA-N 1 3 337.533 2.665 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001569564489 1085379750 /nfs/dbraw/zinc/37/97/50/1085379750.db2.gz BZBLCJIIEHVABO-GOSISDBHSA-N 1 3 349.906 2.559 20 0 EFADHO CCc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001569988055 1085824953 /nfs/dbraw/zinc/82/49/53/1085824953.db2.gz ULURCEDTRMCAHG-AZUAARDMSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[C@H](c1ccccc1)N(C)C ZINC001646540602 1087853048 /nfs/dbraw/zinc/85/30/48/1087853048.db2.gz MYEGKWSMBCRPPS-ZAWLATJESA-N 1 3 346.519 2.837 20 0 EFADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CC1(N)CCOCC1 ZINC001574979597 1088183259 /nfs/dbraw/zinc/18/32/59/1088183259.db2.gz JWATUMIOKDULPM-JLHYYAGUSA-N 1 3 326.387 2.789 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)C1 ZINC001575141330 1088265586 /nfs/dbraw/zinc/26/55/86/1088265586.db2.gz WSVRBFDNHXHYKP-YWZLYKJASA-N 1 3 347.478 2.753 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@H](CC[NH3+])Cc3ccccc32)C1 ZINC001575141316 1088265679 /nfs/dbraw/zinc/26/56/79/1088265679.db2.gz WSVRBFDNHXHYKP-FOIQADDNSA-N 1 3 347.478 2.753 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCNC2CC2)C(C)(C)C1 ZINC001575183723 1088292796 /nfs/dbraw/zinc/29/27/96/1088292796.db2.gz IQJKLIMMTHVSBJ-OAHLLOKOSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@@H]3CNCC[C@@H]32)CC1 ZINC001575184505 1088293985 /nfs/dbraw/zinc/29/39/85/1088293985.db2.gz VEAKFCMRHTWECP-SJORKVTESA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@@H]3CNCC[C@@H]32)CC1 ZINC001575184505 1088294006 /nfs/dbraw/zinc/29/40/06/1088294006.db2.gz VEAKFCMRHTWECP-SJORKVTESA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N[C@H](CNC1(C[NH3+])CCCC1)CC(F)(F)F ZINC001575208076 1088307417 /nfs/dbraw/zinc/30/74/17/1088307417.db2.gz AYIUJTLUDVEMCH-NSHDSACASA-N 1 3 339.402 2.693 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCCNC1CC1 ZINC001575218505 1088315299 /nfs/dbraw/zinc/31/52/99/1088315299.db2.gz LURWDANOYVEGMQ-GOEBONIOSA-N 1 3 325.497 2.802 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001575410176 1088450686 /nfs/dbraw/zinc/45/06/86/1088450686.db2.gz NMKUDZPKDYOVSM-UKRRQHHQSA-N 1 3 335.275 2.696 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001575534249 1088541640 /nfs/dbraw/zinc/54/16/40/1088541640.db2.gz GPUIPXZWXBKYAY-XKGZKEIXSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001575544126 1088545482 /nfs/dbraw/zinc/54/54/82/1088545482.db2.gz FZYAGFDKNYTDDU-NWDGAFQWSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC[C@H]([NH3+])CC(F)(F)F ZINC001575545409 1088548077 /nfs/dbraw/zinc/54/80/77/1088548077.db2.gz OBANRIDKZZUAME-VXGBXAGGSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)C[C@@H]([NH3+])CC(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC001575631336 1088601901 /nfs/dbraw/zinc/60/19/01/1088601901.db2.gz KCHXZUXQNOPJCU-QGZVFWFLSA-N 1 3 346.519 2.919 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001575644158 1088607265 /nfs/dbraw/zinc/60/72/65/1088607265.db2.gz HFIPBHWYHZJUQM-MJGOQNOKSA-N 1 3 331.504 2.873 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC001575648849 1088608927 /nfs/dbraw/zinc/60/89/27/1088608927.db2.gz RDUJIOIZOYYODM-DBVUQKKJSA-N 1 3 345.531 2.992 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])N(C)C)cc1 ZINC001575647876 1088608974 /nfs/dbraw/zinc/60/89/74/1088608974.db2.gz AWODBUBBQIHCCC-BXWFABGCSA-N 1 3 348.535 2.913 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001575649136 1088609052 /nfs/dbraw/zinc/60/90/52/1088609052.db2.gz UQCUEHJBBUWXQE-OALUTQOASA-N 1 3 333.520 2.977 20 0 EFADHO C[C@@H](CN(C)Cc1cccc2c1CC[NH2+]C2)NC(=O)OC(C)(C)C ZINC001575976928 1088825235 /nfs/dbraw/zinc/82/52/35/1088825235.db2.gz YRRRYGMXENCAGL-AWEZNQCLSA-N 1 3 333.476 2.677 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001647236337 1089144983 /nfs/dbraw/zinc/14/49/83/1089144983.db2.gz HOUYYBXYTJSDMP-IERDGZPVSA-N 1 3 349.478 2.898 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001576381814 1089165082 /nfs/dbraw/zinc/16/50/82/1089165082.db2.gz GXFCZWQTGLFIRR-CSMYWGQOSA-N 1 3 346.425 2.859 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21)N1[C@H](C)CC[C@@H]1C ZINC001576651397 1089379504 /nfs/dbraw/zinc/37/95/04/1089379504.db2.gz YZLKGXCLCUGRGG-XGUBFFRZSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC001576700330 1089402012 /nfs/dbraw/zinc/40/20/12/1089402012.db2.gz QLYHLDXDCDNXLW-JFRXWTBNSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H]1CCCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@H]1CC[NH3+] ZINC001576704872 1089407308 /nfs/dbraw/zinc/40/73/08/1089407308.db2.gz OIHNLTYCDLFRSS-DRMAHVMPSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CCC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@H]1CCN ZINC001576704872 1089407313 /nfs/dbraw/zinc/40/73/13/1089407313.db2.gz OIHNLTYCDLFRSS-DRMAHVMPSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@H]1CCN ZINC001576704872 1089407318 /nfs/dbraw/zinc/40/73/18/1089407318.db2.gz OIHNLTYCDLFRSS-DRMAHVMPSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]CCCNC1CC1 ZINC001576724811 1089421363 /nfs/dbraw/zinc/42/13/63/1089421363.db2.gz QIWYJHCEJRIPTD-IJEWVQPXSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NCCC[NH2+]C1CC1 ZINC001576724811 1089421371 /nfs/dbraw/zinc/42/13/71/1089421371.db2.gz QIWYJHCEJRIPTD-IJEWVQPXSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001576747468 1089435056 /nfs/dbraw/zinc/43/50/56/1089435056.db2.gz ASNIOFLCYXPTKR-IIAWOOMASA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576760651 1089445092 /nfs/dbraw/zinc/44/50/92/1089445092.db2.gz SRDZFRHKNLTBNG-VUCRHFMTSA-N 1 3 335.536 2.874 20 0 EFADHO C[C@H]1CN(C[C@H](O)c2cccc3ccccc32)CC2(CC[NH2+]CC2)O1 ZINC001576807482 1089468320 /nfs/dbraw/zinc/46/83/20/1089468320.db2.gz REJSSIABYMSRAZ-JXFKEZNVSA-N 1 3 340.467 2.716 20 0 EFADHO CC[C@H]([NH3+])Cn1c(C2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001577139378 1089690713 /nfs/dbraw/zinc/69/07/13/1089690713.db2.gz VNFXEMWSZZZZCM-VYDXJSESSA-N 1 3 348.539 2.592 20 0 EFADHO CCCCCCN(Cc1ccc(C)o1)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001577429985 1089957792 /nfs/dbraw/zinc/95/77/92/1089957792.db2.gz GOVAETFDOLKMGU-QGZVFWFLSA-N 1 3 334.460 2.875 20 0 EFADHO CCCCN(C)c1nnc([C@@H]2CCCN2)n1C[C@@H]1CCC[N@@H+]1CCC ZINC001577451233 1089978159 /nfs/dbraw/zinc/97/81/59/1089978159.db2.gz HVVIYKPCXIMGKH-IRXDYDNUSA-N 1 3 348.539 2.813 20 0 EFADHO CCCCN(C)c1nnc([C@@H]2CCCN2)n1C[C@@H]1CCC[N@H+]1CCC ZINC001577451233 1089978173 /nfs/dbraw/zinc/97/81/73/1089978173.db2.gz HVVIYKPCXIMGKH-IRXDYDNUSA-N 1 3 348.539 2.813 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1OCCNC2 ZINC001577458085 1089982161 /nfs/dbraw/zinc/98/21/61/1089982161.db2.gz SJPBKTYJXJIKSP-KRWDZBQOSA-N 1 3 345.487 2.553 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1OCCNC2 ZINC001577458085 1089982174 /nfs/dbraw/zinc/98/21/74/1089982174.db2.gz SJPBKTYJXJIKSP-KRWDZBQOSA-N 1 3 345.487 2.553 20 0 EFADHO CCC[N@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCNCC1 ZINC001577504544 1090016064 /nfs/dbraw/zinc/01/60/64/1090016064.db2.gz WMKUWCMMOXHCEP-ZDUSSCGKSA-N 1 3 349.466 2.999 20 0 EFADHO CCC[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1CCNCC1 ZINC001577504544 1090016076 /nfs/dbraw/zinc/01/60/76/1090016076.db2.gz WMKUWCMMOXHCEP-ZDUSSCGKSA-N 1 3 349.466 2.999 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001577510117 1090021929 /nfs/dbraw/zinc/02/19/29/1090021929.db2.gz AVERUUUHUGXEEI-HIFRSBDPSA-N 1 3 340.899 2.670 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](N)c1cc(C)nc(Cl)c1 ZINC001577510117 1090021939 /nfs/dbraw/zinc/02/19/39/1090021939.db2.gz AVERUUUHUGXEEI-HIFRSBDPSA-N 1 3 340.899 2.670 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001577516126 1090028069 /nfs/dbraw/zinc/02/80/69/1090028069.db2.gz DMOZEFQUANIAJJ-IBGZPJMESA-N 1 3 346.519 2.512 20 0 EFADHO CCCN(Cc1c(C[NH3+])cnn1C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001577523935 1090033921 /nfs/dbraw/zinc/03/39/21/1090033921.db2.gz MYHIFKDTOLPPBC-ROUUACIJSA-N 1 3 334.508 2.829 20 0 EFADHO CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC001577600409 1090073436 /nfs/dbraw/zinc/07/34/36/1090073436.db2.gz LRTBYRQZGLVWJH-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCNC(C)(C)C1 ZINC001577600409 1090073445 /nfs/dbraw/zinc/07/34/45/1090073445.db2.gz LRTBYRQZGLVWJH-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CCOC(=O)[C@@](C)(CN[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC001577905145 1090210664 /nfs/dbraw/zinc/21/06/64/1090210664.db2.gz HVDBVSBXXJZLMD-XLIONFOSSA-N 1 3 332.488 2.875 20 0 EFADHO CCOC(=O)[C@@](C)(CN[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC001577905144 1090210797 /nfs/dbraw/zinc/21/07/97/1090210797.db2.gz HVDBVSBXXJZLMD-PXNSSMCTSA-N 1 3 332.488 2.875 20 0 EFADHO CN(Cc1ccc(Br)c(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC001578485779 1090384791 /nfs/dbraw/zinc/38/47/91/1090384791.db2.gz PBKZVJSKYQZRKU-GFCCVEGCSA-N 1 3 343.240 2.541 20 0 EFADHO CN1c2ccc(CNCc3cccc4c3CC[NH2+]C4)cc2CCC1=O ZINC001578512846 1090391066 /nfs/dbraw/zinc/39/10/66/1090391066.db2.gz APZMRDPXIWYVCK-UHFFFAOYSA-N 1 3 335.451 2.531 20 0 EFADHO CNC[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653667 1090413793 /nfs/dbraw/zinc/41/37/93/1090413793.db2.gz BHMHDQGFSNOEBW-HOCLYGCPSA-N 1 3 346.393 2.563 20 0 EFADHO CNC[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653667 1090413795 /nfs/dbraw/zinc/41/37/95/1090413795.db2.gz BHMHDQGFSNOEBW-HOCLYGCPSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]C[C@H](O)CN1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653667 1090413798 /nfs/dbraw/zinc/41/37/98/1090413798.db2.gz BHMHDQGFSNOEBW-HOCLYGCPSA-N 1 3 346.393 2.563 20 0 EFADHO CNC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653668 1090413961 /nfs/dbraw/zinc/41/39/61/1090413961.db2.gz BHMHDQGFSNOEBW-ZBFHGGJFSA-N 1 3 346.393 2.563 20 0 EFADHO CNC[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653668 1090413963 /nfs/dbraw/zinc/41/39/63/1090413963.db2.gz BHMHDQGFSNOEBW-ZBFHGGJFSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]C[C@@H](O)CN1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653668 1090413966 /nfs/dbraw/zinc/41/39/66/1090413966.db2.gz BHMHDQGFSNOEBW-ZBFHGGJFSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC001578753068 1090435937 /nfs/dbraw/zinc/43/59/37/1090435937.db2.gz IMFOAPCXMGQWLD-DLBZAZTESA-N 1 3 337.533 2.762 20 0 EFADHO COC(=O)c1c[nH]c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1C1CC1 ZINC001578850086 1090453535 /nfs/dbraw/zinc/45/35/35/1090453535.db2.gz GJESMVRKBGCWDC-OAHLLOKOSA-N 1 3 331.460 2.500 20 0 EFADHO COC(=O)c1cccc2c(CN3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)ccnc12 ZINC001578878278 1090462046 /nfs/dbraw/zinc/46/20/46/1090462046.db2.gz TVBNVUWIDFSJJV-DZKIICNBSA-N 1 3 341.455 2.827 20 0 EFADHO COc1cc(C)ccc1Oc1ccccc1CN(C)C[C@H](O)CC[NH3+] ZINC001579146821 1090527203 /nfs/dbraw/zinc/52/72/03/1090527203.db2.gz SVDDHWCJYWRFHF-QGZVFWFLSA-N 1 3 344.455 2.937 20 0 EFADHO COc1cc(N[C@H]2CCCN(CC3(C[NH3+])CCC3)C2)cc(OC)c1 ZINC001579166225 1090533770 /nfs/dbraw/zinc/53/37/70/1090533770.db2.gz DLIWYEGGRSJLLG-HNNXBMFYSA-N 1 3 333.476 2.709 20 0 EFADHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCCCCCn2cccn2)cc1 ZINC001579238682 1090555692 /nfs/dbraw/zinc/55/56/92/1090555692.db2.gz RPLMPBBJJXCJAL-PMACEKPBSA-N 1 3 342.487 2.797 20 0 EFADHO CSc1ccc([C@@H](C)[NH2+]C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC001579392668 1090603214 /nfs/dbraw/zinc/60/32/14/1090603214.db2.gz DNDVCSBLLUHKRA-CCKFTAQKSA-N 1 3 330.497 2.990 20 0 EFADHO CSc1ccc(OC[C@@H](O)CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC001579393412 1090604311 /nfs/dbraw/zinc/60/43/11/1090604311.db2.gz SXGAZHAOGHEPFO-YJBOKZPZSA-N 1 3 338.517 2.645 20 0 EFADHO Cc1c(C[C@H](CN)C[NH2+]C2CC(C)(c3ccccc3)C2)cnn1C ZINC001579529087 1090627820 /nfs/dbraw/zinc/62/78/20/1090627820.db2.gz BEWVCALSLKHWFR-PBPGXSGUSA-N 1 3 326.488 2.556 20 0 EFADHO Cc1cc(CN2C[C@@H](C)OC3(CC[NH2+]CC3)C2)c2ccccc2n1 ZINC001579598439 1090640129 /nfs/dbraw/zinc/64/01/29/1090640129.db2.gz WEPZMPZUSLZJAD-MRXNPFEDSA-N 1 3 325.456 2.886 20 0 EFADHO Cc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)c2c(n1)CCCC2 ZINC001579598469 1090640487 /nfs/dbraw/zinc/64/04/87/1090640487.db2.gz XHFQYQJERXIKOC-KRWDZBQOSA-N 1 3 329.488 2.599 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)N2CCCC2)cc1 ZINC001579667630 1090657402 /nfs/dbraw/zinc/65/74/02/1090657402.db2.gz OTCGQFKEGMALOD-RTBURBONSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]([NH3+])C3CCCCCC3)C2)cc1 ZINC001579691037 1090662977 /nfs/dbraw/zinc/66/29/77/1090662977.db2.gz ISUUBXBVRWMQLE-PMACEKPBSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCCCCC3)C2)cc1 ZINC001579691038 1090663320 /nfs/dbraw/zinc/66/33/20/1090663320.db2.gz ISUUBXBVRWMQLE-UXHICEINSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)c(CN(C)C)c1 ZINC001579715104 1090669342 /nfs/dbraw/zinc/66/93/42/1090669342.db2.gz GDSCWPCZUSYYCS-LZQZEXGQSA-N 1 3 345.487 2.542 20 0 EFADHO Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC001579883327 1090713091 /nfs/dbraw/zinc/71/30/91/1090713091.db2.gz PIJWAGWMCBEPOV-WOJBJXKFSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1nccn1CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC001579883327 1090713098 /nfs/dbraw/zinc/71/30/98/1090713098.db2.gz PIJWAGWMCBEPOV-WOJBJXKFSA-N 1 3 326.488 2.864 20 0 EFADHO Cn1nc2c(c1CN[C@H](CCC[NH3+])c1ccccc1)CSCC2 ZINC001579998838 1090740670 /nfs/dbraw/zinc/74/06/70/1090740670.db2.gz XBYKZFYKWURYET-MRXNPFEDSA-N 1 3 330.501 2.779 20 0 EFADHO [NH3+]C1(CCN2CCC(Cc3nc4c(s3)CCC4)CC2)CCOCC1 ZINC001580143649 1090788440 /nfs/dbraw/zinc/78/84/40/1090788440.db2.gz AVEZBLMYCOCTQE-UHFFFAOYSA-N 1 3 349.544 2.784 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC001580207178 1090810715 /nfs/dbraw/zinc/81/07/15/1090810715.db2.gz PQMCYGNKOFMBRF-INIZCTEOSA-N 1 3 343.496 2.702 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216083 1090814922 /nfs/dbraw/zinc/81/49/22/1090814922.db2.gz UHTLQCSWTAFNOG-RBUKOAKNSA-N 1 3 325.456 2.959 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216083 1090814928 /nfs/dbraw/zinc/81/49/28/1090814928.db2.gz UHTLQCSWTAFNOG-RBUKOAKNSA-N 1 3 325.456 2.959 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cc21 ZINC001580264131 1090841185 /nfs/dbraw/zinc/84/11/85/1090841185.db2.gz FNVNUUPXTJFSES-MJGOQNOKSA-N 1 3 341.499 2.812 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001580297002 1090852932 /nfs/dbraw/zinc/85/29/32/1090852932.db2.gz CIPLSZMKOVYWFJ-SFHVURJKSA-N 1 3 337.508 2.981 20 0 EFADHO Nc1cccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC001580456989 1090907145 /nfs/dbraw/zinc/90/71/45/1090907145.db2.gz GIAPOBMJQCUEII-FQEVSTJZSA-N 1 3 325.456 2.515 20 0 EFADHO Nc1cccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC001580456989 1090907150 /nfs/dbraw/zinc/90/71/50/1090907150.db2.gz GIAPOBMJQCUEII-FQEVSTJZSA-N 1 3 325.456 2.515 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC001580661958 1090979626 /nfs/dbraw/zinc/97/96/26/1090979626.db2.gz WOZJWSAHZPGUKL-WNHJNPCNSA-N 1 3 333.520 2.820 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580770198 1091003790 /nfs/dbraw/zinc/00/37/90/1091003790.db2.gz NSSSZCYQAGYGPV-GOSISDBHSA-N 1 3 343.471 2.904 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001580770198 1091003794 /nfs/dbraw/zinc/00/37/94/1091003794.db2.gz NSSSZCYQAGYGPV-GOSISDBHSA-N 1 3 343.471 2.904 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001580780098 1091006801 /nfs/dbraw/zinc/00/68/01/1091006801.db2.gz IKEHNBDQYJSVGP-AAEUAGOBSA-N 1 3 328.334 2.976 20 0 EFADHO O=C(OCc1ccccc1)N1CCC[C@@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC001580802597 1091014543 /nfs/dbraw/zinc/01/45/43/1091014543.db2.gz BVAGTSJJSKVMLG-ZWKOTPCHSA-N 1 3 331.460 2.519 20 0 EFADHO O[C@@H](CN1CCC([C@H]2[NH2+]CC23CCC3)CC1)c1ccc(F)cc1F ZINC001580877494 1091032689 /nfs/dbraw/zinc/03/26/89/1091032689.db2.gz BLRUTJGRHMZNJG-ZWKOTPCHSA-N 1 3 336.426 2.852 20 0 EFADHO O[C@@H]1CNCC[C@@H]1[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001580880066 1091033415 /nfs/dbraw/zinc/03/34/15/1091033415.db2.gz JAPFJMYFHJAPLB-JPZWTCJMSA-N 1 3 338.451 2.591 20 0 EFADHO Oc1ccccc1-c1nnc(CN2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC001580888579 1091035316 /nfs/dbraw/zinc/03/53/16/1091035316.db2.gz QPBBHXXSWZHQTI-OAHLLOKOSA-N 1 3 342.443 2.654 20 0 EFADHO c1cn(Cc2cccc(CNCc3cc4c(s3)CC[NH2+]C4)c2)cn1 ZINC001580887717 1091035494 /nfs/dbraw/zinc/03/54/94/1091035494.db2.gz FMCAWUJPXBBDSM-UHFFFAOYSA-N 1 3 338.480 2.928 20 0 EFADHO c1ccc(CCN(Cc2cccnc2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001580893222 1091037736 /nfs/dbraw/zinc/03/77/36/1091037736.db2.gz XYGKAJKJQNTAOL-HXUWFJFHSA-N 1 3 337.467 2.647 20 0 EFADHO C[NH2+][C@@H](C)CCN[C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001649839554 1092731010 /nfs/dbraw/zinc/73/10/10/1092731010.db2.gz QATWRWBUPOGHRH-RYUDHWBXSA-N 1 3 347.381 2.890 20 0 EFADHO C[NH2+][C@H](C)CCN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC001649839555 1092731573 /nfs/dbraw/zinc/73/15/73/1092731573.db2.gz QATWRWBUPOGHRH-VXGBXAGGSA-N 1 3 347.381 2.890 20 0 EFADHO C[C@@H](C(=O)N1CCCc2ccccc21)N1CCCC2(CC[NH2+]CC2)C1 ZINC001649849594 1092737519 /nfs/dbraw/zinc/73/75/19/1092737519.db2.gz MSQCKFPWSXGLAS-KRWDZBQOSA-N 1 3 341.499 2.820 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448115 1092757757 /nfs/dbraw/zinc/75/77/57/1092757757.db2.gz OIPXRCTYGJDPRD-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448115 1092757764 /nfs/dbraw/zinc/75/77/64/1092757764.db2.gz OIPXRCTYGJDPRD-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@H]2CCC[NH2+]C2)CC1 ZINC001649880890 1092760265 /nfs/dbraw/zinc/76/02/65/1092760265.db2.gz NIRLFNKMUXDLPR-SJORKVTESA-N 1 3 348.510 2.618 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@H]2CCC[NH2+]C2)CC1 ZINC001649880888 1092760810 /nfs/dbraw/zinc/76/08/10/1092760810.db2.gz NIRLFNKMUXDLPR-IRXDYDNUSA-N 1 3 348.510 2.618 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001087212710 1092866540 /nfs/dbraw/zinc/86/65/40/1092866540.db2.gz NAZSTOHOQSUWHM-RYRKJORJSA-N 1 3 349.544 2.949 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001650005183 1092872366 /nfs/dbraw/zinc/87/23/66/1092872366.db2.gz LIJQVLQTMVBSFG-FHWLQOOXSA-N 1 3 347.503 2.723 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001087214822 1092901934 /nfs/dbraw/zinc/90/19/34/1092901934.db2.gz PREIAFZQKZTJRV-NJAFHUGGSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001087219967 1092970225 /nfs/dbraw/zinc/97/02/25/1092970225.db2.gz YGJWXQKQQHVZRH-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001087219948 1092970645 /nfs/dbraw/zinc/97/06/45/1092970645.db2.gz XGFYMQSBSBPYBQ-QAPCUYQASA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001087219966 1092970737 /nfs/dbraw/zinc/97/07/37/1092970737.db2.gz YFSAWFYNWRKVLZ-QAPCUYQASA-N 1 3 344.503 2.749 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158177 1092987294 /nfs/dbraw/zinc/98/72/94/1092987294.db2.gz HTJCYJHEJXXOAR-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158177 1092987304 /nfs/dbraw/zinc/98/73/04/1092987304.db2.gz HTJCYJHEJXXOAR-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158177 1092987313 /nfs/dbraw/zinc/98/73/13/1092987313.db2.gz HTJCYJHEJXXOAR-SLYNCCJLSA-N 1 3 346.515 2.763 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC001650160680 1092990527 /nfs/dbraw/zinc/99/05/27/1092990527.db2.gz RBHYZZZRYDKQIN-IEBWSBKVSA-N 1 3 342.483 2.901 20 0 EFADHO CN1CC[C@@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230318 1093045987 /nfs/dbraw/zinc/04/59/87/1093045987.db2.gz YXHBPULSXMVJKB-XHDPSFHLSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@@H+]1CC[C@@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230318 1093045992 /nfs/dbraw/zinc/04/59/92/1093045992.db2.gz YXHBPULSXMVJKB-XHDPSFHLSA-N 1 3 335.814 2.956 20 0 EFADHO C[N@H+]1CC[C@@H](CNc2ccnc(N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001650230318 1093045999 /nfs/dbraw/zinc/04/59/99/1093045999.db2.gz YXHBPULSXMVJKB-XHDPSFHLSA-N 1 3 335.814 2.956 20 0 EFADHO CC1(C)CC([NH3+])CC(C)(C)N1c1cncc([C@H]2CN3CCC2CC3)n1 ZINC001167625134 1093137835 /nfs/dbraw/zinc/13/78/35/1093137835.db2.gz SUJRTAATPVPLGU-INIZCTEOSA-N 1 3 343.519 2.771 20 0 EFADHO COc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001167626502 1093146043 /nfs/dbraw/zinc/14/60/43/1093146043.db2.gz CPKQBSWAWNBHKC-LJQANCHMSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001167627072 1093149925 /nfs/dbraw/zinc/14/99/25/1093149925.db2.gz JZQIOVCIVFLLSI-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001167635757 1093169272 /nfs/dbraw/zinc/16/92/72/1093169272.db2.gz PENMSOUXQZUOPU-QGZVFWFLSA-N 1 3 337.533 2.649 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001167639997 1093181185 /nfs/dbraw/zinc/18/11/85/1093181185.db2.gz KCQBIQZBDMNHNQ-UHFFFAOYSA-N 1 3 336.307 2.523 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCC1(CNCC=C(Cl)Cl)CC1 ZINC001167639997 1093181178 /nfs/dbraw/zinc/18/11/78/1093181178.db2.gz KCQBIQZBDMNHNQ-UHFFFAOYSA-N 1 3 336.307 2.523 20 0 EFADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001650360421 1093185310 /nfs/dbraw/zinc/18/53/10/1093185310.db2.gz UAOLRDLJEWZUTA-SNRMKQJTSA-N 1 3 347.503 2.712 20 0 EFADHO CC[C@H](C)C[C@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001650360423 1093185411 /nfs/dbraw/zinc/18/54/11/1093185411.db2.gz UAOLRDLJEWZUTA-ZYSHUDEJSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589956324 1093193362 /nfs/dbraw/zinc/19/33/62/1093193362.db2.gz OGOZJFTXEASFPE-CQSZACIVSA-N 1 3 349.442 2.581 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589956324 1093193366 /nfs/dbraw/zinc/19/33/66/1093193366.db2.gz OGOZJFTXEASFPE-CQSZACIVSA-N 1 3 349.442 2.581 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203408243 1093196198 /nfs/dbraw/zinc/19/61/98/1093196198.db2.gz TWZALKBWCQUFPB-QBFSEMIESA-N 1 3 336.307 2.618 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458463 1093229944 /nfs/dbraw/zinc/22/99/44/1093229944.db2.gz GVDVZSSUNSMMMG-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458463 1093229949 /nfs/dbraw/zinc/22/99/49/1093229949.db2.gz GVDVZSSUNSMMMG-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO Cc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001591864117 1093900463 /nfs/dbraw/zinc/90/04/63/1093900463.db2.gz IXAIKZRQNTWMNK-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001591864117 1093900468 /nfs/dbraw/zinc/90/04/68/1093900468.db2.gz IXAIKZRQNTWMNK-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001591864117 1093900473 /nfs/dbraw/zinc/90/04/73/1093900473.db2.gz IXAIKZRQNTWMNK-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO Cc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC001591864117 1093900477 /nfs/dbraw/zinc/90/04/77/1093900477.db2.gz IXAIKZRQNTWMNK-UHFFFAOYSA-N 1 3 342.491 2.727 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1)N(C)C ZINC001211623420 1094391410 /nfs/dbraw/zinc/39/14/10/1094391410.db2.gz GCDGITKTKBFFHY-XUVXKRRUSA-N 1 3 343.515 2.877 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001267390967 1094468639 /nfs/dbraw/zinc/46/86/39/1094468639.db2.gz XVIFZXJGUVJMNF-OAHLLOKOSA-N 1 3 327.419 2.512 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C2)C1 ZINC001104680016 1094588369 /nfs/dbraw/zinc/58/83/69/1094588369.db2.gz OBNOHBSCDBCCGZ-KZNAEPCWSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104676395 1094590005 /nfs/dbraw/zinc/59/00/05/1094590005.db2.gz ICXFTDNHDSYIMO-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001104679542 1094604140 /nfs/dbraw/zinc/60/41/40/1094604140.db2.gz JSKSLTGOPHFKCG-ZHALLVOQSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CCC3CCCC3)C2)C1 ZINC001104682057 1094616846 /nfs/dbraw/zinc/61/68/46/1094616846.db2.gz YUDIEPPGUPPJGC-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104682556 1094627303 /nfs/dbraw/zinc/62/73/03/1094627303.db2.gz VLRGVOZRQMVOPQ-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001104690474 1094644315 /nfs/dbraw/zinc/64/43/15/1094644315.db2.gz FPEAACIPAMNVTG-QRQLOZEOSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001104691815 1094646397 /nfs/dbraw/zinc/64/63/97/1094646397.db2.gz XEQXPCZIVBNSHV-QRQLOZEOSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529775 1094759025 /nfs/dbraw/zinc/75/90/25/1094759025.db2.gz OPYMPBGPHYNZEK-DYXWJJEUSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001104729131 1094763672 /nfs/dbraw/zinc/76/36/72/1094763672.db2.gz OYGDAGQBYPILRA-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211690609 1094768530 /nfs/dbraw/zinc/76/85/30/1094768530.db2.gz GKWUXZZWUQEMSO-YSIASYRMSA-N 1 3 345.531 2.959 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001481120281 1094769346 /nfs/dbraw/zinc/76/93/46/1094769346.db2.gz ZUJNDSCMFCSKGZ-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001481120281 1094769352 /nfs/dbraw/zinc/76/93/52/1094769352.db2.gz ZUJNDSCMFCSKGZ-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1 ZINC001481147985 1094978141 /nfs/dbraw/zinc/97/81/41/1094978141.db2.gz SBUYKJJHSOWVEL-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1 ZINC001481147985 1094978153 /nfs/dbraw/zinc/97/81/53/1094978153.db2.gz SBUYKJJHSOWVEL-ZWKOTPCHSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)CC[N@@H+]1C ZINC001481170632 1095103551 /nfs/dbraw/zinc/10/35/51/1095103551.db2.gz SAJQQZJAKRCATN-DNVCBOLYSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)CC[N@H+]1C ZINC001481170632 1095103560 /nfs/dbraw/zinc/10/35/60/1095103560.db2.gz SAJQQZJAKRCATN-DNVCBOLYSA-N 1 3 347.478 2.577 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001481526485 1095122232 /nfs/dbraw/zinc/12/22/32/1095122232.db2.gz GIPMBMKLHZZXTC-QRQLOZEOSA-N 1 3 331.504 2.914 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001167826206 1095216411 /nfs/dbraw/zinc/21/64/11/1095216411.db2.gz MJADXKJJAASROR-VXESANQCSA-N 1 3 347.503 2.871 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccc(OC)cn2)CC1 ZINC001167834411 1095292834 /nfs/dbraw/zinc/29/28/34/1095292834.db2.gz JORBVEJUKDPJBX-KRWDZBQOSA-N 1 3 334.508 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCC3)[C@H]2C1(C)C ZINC001087316227 1095296397 /nfs/dbraw/zinc/29/63/97/1095296397.db2.gz PBOYIELQVKNSNJ-KFKAGJAMSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CCC3)[C@H]2C1(C)C ZINC001087316227 1095296404 /nfs/dbraw/zinc/29/64/04/1095296404.db2.gz PBOYIELQVKNSNJ-KFKAGJAMSA-N 1 3 344.503 2.666 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2sccc2Cl)C1 ZINC001100769591 1095604319 /nfs/dbraw/zinc/60/43/19/1095604319.db2.gz QXSGGHDPKUJSKL-UHFFFAOYSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957598 1095772022 /nfs/dbraw/zinc/77/20/22/1095772022.db2.gz NGNNPERPGFOGPZ-APWZRJJASA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957598 1095772031 /nfs/dbraw/zinc/77/20/31/1095772031.db2.gz NGNNPERPGFOGPZ-APWZRJJASA-N 1 3 341.515 2.779 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000981958945 1095789094 /nfs/dbraw/zinc/78/90/94/1095789094.db2.gz JETKFJUZRPLFCB-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c(C)c1 ZINC000981958945 1095789104 /nfs/dbraw/zinc/78/91/04/1095789104.db2.gz JETKFJUZRPLFCB-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000981957737 1095794212 /nfs/dbraw/zinc/79/42/12/1095794212.db2.gz RYHHJOCNTOJKSY-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000981957737 1095794223 /nfs/dbraw/zinc/79/42/23/1095794223.db2.gz RYHHJOCNTOJKSY-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000981957748 1095794904 /nfs/dbraw/zinc/79/49/04/1095794904.db2.gz SAZZVJBUOLHMMW-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000981957748 1095794916 /nfs/dbraw/zinc/79/49/16/1095794916.db2.gz SAZZVJBUOLHMMW-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000981958056 1095796495 /nfs/dbraw/zinc/79/64/95/1095796495.db2.gz AHZXIPRANQIYEH-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000981958056 1095796506 /nfs/dbraw/zinc/79/65/06/1095796506.db2.gz AHZXIPRANQIYEH-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960448 1095819352 /nfs/dbraw/zinc/81/93/52/1095819352.db2.gz VXWSGSJHSWNXDH-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960448 1095819362 /nfs/dbraw/zinc/81/93/62/1095819362.db2.gz VXWSGSJHSWNXDH-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481678770 1096300671 /nfs/dbraw/zinc/30/06/71/1096300671.db2.gz YDXFKKWXTMQSFY-GBESFXJTSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001481689826 1096312871 /nfs/dbraw/zinc/31/28/71/1096312871.db2.gz DVGJDJONYDWQME-SXLOBPIMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001481689826 1096312877 /nfs/dbraw/zinc/31/28/77/1096312877.db2.gz DVGJDJONYDWQME-SXLOBPIMSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167900476 1096332095 /nfs/dbraw/zinc/33/20/95/1096332095.db2.gz JNFYWMFEHUKYJH-UHFFFAOYSA-N 1 3 332.492 2.717 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CCCC(C)(C)C)CC1 ZINC001167901304 1096349262 /nfs/dbraw/zinc/34/92/62/1096349262.db2.gz SJDYSUCZIZSSRI-UHFFFAOYSA-N 1 3 334.508 2.963 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001167901294 1096349384 /nfs/dbraw/zinc/34/93/84/1096349384.db2.gz SCIUCAZDPWSECW-UHFFFAOYSA-N 1 3 340.471 2.645 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167901697 1096361087 /nfs/dbraw/zinc/36/10/87/1096361087.db2.gz WGPONYUWBFFULP-UHFFFAOYSA-N 1 3 332.492 2.717 20 0 EFADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001481738469 1096473949 /nfs/dbraw/zinc/47/39/49/1096473949.db2.gz MAGJLSGTIPDTKA-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001603603920 1096565399 /nfs/dbraw/zinc/56/53/99/1096565399.db2.gz QBAIXMLJTYIPAK-NEPJUHHUSA-N 1 3 340.406 2.876 20 0 EFADHO C[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC001603731625 1096606486 /nfs/dbraw/zinc/60/64/86/1096606486.db2.gz QBQJKFWKZRZWIG-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC001603731625 1096606489 /nfs/dbraw/zinc/60/64/89/1096606489.db2.gz QBQJKFWKZRZWIG-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC001603731624 1096606777 /nfs/dbraw/zinc/60/67/77/1096606777.db2.gz QBQJKFWKZRZWIG-HNNXBMFYSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC001603731624 1096606780 /nfs/dbraw/zinc/60/67/80/1096606780.db2.gz QBQJKFWKZRZWIG-HNNXBMFYSA-N 1 3 340.475 2.736 20 0 EFADHO CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481782363 1096695292 /nfs/dbraw/zinc/69/52/92/1096695292.db2.gz OZKCKULDQJVPAN-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ncccc1C ZINC001481812200 1096738273 /nfs/dbraw/zinc/73/82/73/1096738273.db2.gz IENYGFAQROJIAV-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001481851726 1096796428 /nfs/dbraw/zinc/79/64/28/1096796428.db2.gz WQHSPJFWYLUIRO-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCCC1 ZINC001481904748 1096899007 /nfs/dbraw/zinc/89/90/07/1096899007.db2.gz SFYKFWRIXCYXJF-QGZVFWFLSA-N 1 3 343.515 2.855 20 0 EFADHO C[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001604854203 1096969984 /nfs/dbraw/zinc/96/99/84/1096969984.db2.gz IOROBZYOINUBRM-GOSISDBHSA-N 1 3 340.475 2.566 20 0 EFADHO C[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001604854203 1096969989 /nfs/dbraw/zinc/96/99/89/1096969989.db2.gz IOROBZYOINUBRM-GOSISDBHSA-N 1 3 340.475 2.566 20 0 EFADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC001605523264 1097145603 /nfs/dbraw/zinc/14/56/03/1097145603.db2.gz MZUJZEKKPHIEQH-UHFFFAOYSA-N 1 3 342.491 2.836 20 0 EFADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC001605523264 1097145608 /nfs/dbraw/zinc/14/56/08/1097145608.db2.gz MZUJZEKKPHIEQH-UHFFFAOYSA-N 1 3 342.491 2.836 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NCCC2CCN(CCF)CC2)c1 ZINC001482051698 1097184346 /nfs/dbraw/zinc/18/43/46/1097184346.db2.gz LQBHKKPKFZWIKW-UHFFFAOYSA-N 1 3 335.467 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001482071886 1097225692 /nfs/dbraw/zinc/22/56/92/1097225692.db2.gz LVBGYXAPLIFDHH-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001482071886 1097225696 /nfs/dbraw/zinc/22/56/96/1097225696.db2.gz LVBGYXAPLIFDHH-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001482107014 1097267786 /nfs/dbraw/zinc/26/77/86/1097267786.db2.gz FFSGLOJBZFKKFV-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001482108805 1097270551 /nfs/dbraw/zinc/27/05/51/1097270551.db2.gz XDMIVPXEHYIVPI-LIRRHRJNSA-N 1 3 347.478 2.639 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+]([C@@H]4C[C@H]5C[C@H]5C4)CC3)C2)ccn1 ZINC001167938734 1097380897 /nfs/dbraw/zinc/38/08/97/1097380897.db2.gz GVDVGJBNUHNWMU-ACDBMABISA-N 1 3 341.499 2.795 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH+](C)CC1 ZINC001609123775 1098157238 /nfs/dbraw/zinc/15/72/38/1098157238.db2.gz LXCFLVQRZAPSGD-UGSOOPFHSA-N 1 3 340.475 2.564 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH+](C)CC1 ZINC001609123775 1098157242 /nfs/dbraw/zinc/15/72/42/1098157242.db2.gz LXCFLVQRZAPSGD-UGSOOPFHSA-N 1 3 340.475 2.564 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccccc2C)CCCC1 ZINC001482236050 1098334003 /nfs/dbraw/zinc/33/40/03/1098334003.db2.gz BUFYBPJBXSPUBT-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104803671 1098619879 /nfs/dbraw/zinc/61/98/79/1098619879.db2.gz XFGRIFRBRKCBEX-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1 ZINC001104810014 1098637667 /nfs/dbraw/zinc/63/76/67/1098637667.db2.gz VTHSTXYKMANDNL-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001104809787 1098638132 /nfs/dbraw/zinc/63/81/32/1098638132.db2.gz QYXLDWAMPNBCPJ-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812987 1098655973 /nfs/dbraw/zinc/65/59/73/1098655973.db2.gz XMDLZUJHIFHAOP-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104812863 1098656228 /nfs/dbraw/zinc/65/62/28/1098656228.db2.gz XINIWWLSIMXPKJ-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104813116 1098657511 /nfs/dbraw/zinc/65/75/11/1098657511.db2.gz YWYVCKIYSNLRBY-SJLPKXTDSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001104936441 1099083651 /nfs/dbraw/zinc/08/36/51/1099083651.db2.gz UUQDMAXVOMEDTK-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001104937517 1099085496 /nfs/dbraw/zinc/08/54/96/1099085496.db2.gz BUNPUKATGUGHGK-NVXWUHKLSA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001104937829 1099089670 /nfs/dbraw/zinc/08/96/70/1099089670.db2.gz IWDIECANCVTOER-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001481294765 1099101275 /nfs/dbraw/zinc/10/12/75/1099101275.db2.gz GFMXYNLQTORMLQ-SFHVURJKSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001481300288 1099126321 /nfs/dbraw/zinc/12/63/21/1099126321.db2.gz RURYKINDDGJSEQ-CYBMUJFWSA-N 1 3 343.874 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)c1ccc(F)c(Cl)c1 ZINC001481300288 1099126325 /nfs/dbraw/zinc/12/63/25/1099126325.db2.gz RURYKINDDGJSEQ-CYBMUJFWSA-N 1 3 343.874 2.930 20 0 EFADHO CCOC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167964328 1099127156 /nfs/dbraw/zinc/12/71/56/1099127156.db2.gz PAGHCGSYEJHQGK-AYHJJNSGSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)[C@@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981681 1099407455 /nfs/dbraw/zinc/40/74/55/1099407455.db2.gz DYFUBLOPDYUHPX-RAFMOHDBSA-N 1 3 349.563 2.728 20 0 EFADHO CC(C)(C)[C@@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981681 1099407459 /nfs/dbraw/zinc/40/74/59/1099407459.db2.gz DYFUBLOPDYUHPX-RAFMOHDBSA-N 1 3 349.563 2.728 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108364 1099494667 /nfs/dbraw/zinc/49/46/67/1099494667.db2.gz GHLSJAHHAIJSAK-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001105059092 1099504822 /nfs/dbraw/zinc/50/48/22/1099504822.db2.gz KGEMSEJOMDRHCI-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001105067323 1099542704 /nfs/dbraw/zinc/54/27/04/1099542704.db2.gz WYPBJIDMNRTXDE-HQSZUPHZSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001105067061 1099546434 /nfs/dbraw/zinc/54/64/34/1099546434.db2.gz LIHQUMNIBRUUIB-SJLPKXTDSA-N 1 3 337.552 2.837 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C ZINC001481384960 1099550589 /nfs/dbraw/zinc/55/05/89/1099550589.db2.gz DLNSZDYWHOGFAM-BGYRXZFFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C ZINC001481384960 1099550600 /nfs/dbraw/zinc/55/06/00/1099550600.db2.gz DLNSZDYWHOGFAM-BGYRXZFFSA-N 1 3 343.515 2.902 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535912 1099672851 /nfs/dbraw/zinc/67/28/51/1099672851.db2.gz HPLLUXRHHAZQKL-WUPMPMNESA-N 1 3 344.503 2.917 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674378 1099725158 /nfs/dbraw/zinc/72/51/58/1099725158.db2.gz BZXFMYXLQKASNR-YZGWKJHDSA-N 1 3 343.515 2.713 20 0 EFADHO CC(=O)N1CCCC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)C2 ZINC001167993283 1099746534 /nfs/dbraw/zinc/74/65/34/1099746534.db2.gz NMLGGNVVWKRDLF-JKWVGCSGSA-N 1 3 345.531 2.869 20 0 EFADHO CC(=O)N1CCCC[C@@]12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)C2 ZINC001167993283 1099746542 /nfs/dbraw/zinc/74/65/42/1099746542.db2.gz NMLGGNVVWKRDLF-JKWVGCSGSA-N 1 3 345.531 2.869 20 0 EFADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994774 1099757703 /nfs/dbraw/zinc/75/77/03/1099757703.db2.gz OEMNYKJCLRGZQB-FDXPJLOJSA-N 1 3 332.488 2.665 20 0 EFADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994774 1099757710 /nfs/dbraw/zinc/75/77/10/1099757710.db2.gz OEMNYKJCLRGZQB-FDXPJLOJSA-N 1 3 332.488 2.665 20 0 EFADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994775 1099758167 /nfs/dbraw/zinc/75/81/67/1099758167.db2.gz OEMNYKJCLRGZQB-YPXQMJQKSA-N 1 3 332.488 2.665 20 0 EFADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167994775 1099758176 /nfs/dbraw/zinc/75/81/76/1099758176.db2.gz OEMNYKJCLRGZQB-YPXQMJQKSA-N 1 3 332.488 2.665 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cccc(Cl)c1F ZINC001482349921 1099760440 /nfs/dbraw/zinc/76/04/40/1099760440.db2.gz LVXDMBRTGBATQC-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCc1cccc(Cl)c1F ZINC001482349921 1099760447 /nfs/dbraw/zinc/76/04/47/1099760447.db2.gz LVXDMBRTGBATQC-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)CCC1 ZINC001481435296 1099798772 /nfs/dbraw/zinc/79/87/72/1099798772.db2.gz LKPCRUZTHIKOHS-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)CCC1 ZINC001481435296 1099798780 /nfs/dbraw/zinc/79/87/80/1099798780.db2.gz LKPCRUZTHIKOHS-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001075784907 1099852198 /nfs/dbraw/zinc/85/21/98/1099852198.db2.gz KVKAYXSTWBYSJR-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001075784907 1099852210 /nfs/dbraw/zinc/85/22/10/1099852210.db2.gz KVKAYXSTWBYSJR-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001075784854 1099853707 /nfs/dbraw/zinc/85/37/07/1099853707.db2.gz JOWQJBJYYOTTRH-IPMKNSEASA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001075784854 1099853712 /nfs/dbraw/zinc/85/37/12/1099853712.db2.gz JOWQJBJYYOTTRH-IPMKNSEASA-N 1 3 347.547 2.828 20 0 EFADHO CCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680085 1099860304 /nfs/dbraw/zinc/86/03/04/1099860304.db2.gz GLCBWLBEHOKCEO-RBUKOAKNSA-N 1 3 340.471 2.727 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC001482433387 1100193348 /nfs/dbraw/zinc/19/33/48/1100193348.db2.gz KNKBPWIXAFCLIT-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO COC(=O)[C@H]1C[C@@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014068 1100415304 /nfs/dbraw/zinc/41/53/04/1100415304.db2.gz JKHXXAINJCKRNF-RIVXBTQJSA-N 1 3 330.472 2.969 20 0 EFADHO C[C@@H]1CC(NCc2ccn(C)c(=O)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168015219 1100463078 /nfs/dbraw/zinc/46/30/78/1100463078.db2.gz PQDOOJMQZYPJSH-IAGOWNOFSA-N 1 3 339.483 2.917 20 0 EFADHO C[C@H]1CC(NCc2ccn(C)c(=O)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168015220 1100464224 /nfs/dbraw/zinc/46/42/24/1100464224.db2.gz PQDOOJMQZYPJSH-IRXDYDNUSA-N 1 3 339.483 2.917 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396022 1100572099 /nfs/dbraw/zinc/57/20/99/1100572099.db2.gz HEWGTDXLAZUYTQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN(CC)CC)CC1 ZINC001105396022 1100572100 /nfs/dbraw/zinc/57/21/00/1100572100.db2.gz HEWGTDXLAZUYTQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396495 1100580364 /nfs/dbraw/zinc/58/03/64/1100580364.db2.gz NHDIYFHKLUKGFM-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396495 1100580370 /nfs/dbraw/zinc/58/03/70/1100580370.db2.gz NHDIYFHKLUKGFM-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396684 1100587376 /nfs/dbraw/zinc/58/73/76/1100587376.db2.gz SHOWLNCVIYHGAY-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001105396684 1100587385 /nfs/dbraw/zinc/58/73/85/1100587385.db2.gz SHOWLNCVIYHGAY-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@@H+]1Cc1ccccn1 ZINC001087642541 1100621023 /nfs/dbraw/zinc/62/10/23/1100621023.db2.gz VHPNFIPXNSLIDF-RBUKOAKNSA-N 1 3 349.438 2.512 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CC[N@H+]1Cc1ccccn1 ZINC001087642541 1100621025 /nfs/dbraw/zinc/62/10/25/1100621025.db2.gz VHPNFIPXNSLIDF-RBUKOAKNSA-N 1 3 349.438 2.512 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C[C@H](C)N1Cc1ccccc1 ZINC001168019408 1100628591 /nfs/dbraw/zinc/62/85/91/1100628591.db2.gz IRHCNHIXPWZUEE-XRGAULLZSA-N 1 3 330.394 2.941 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087724035 1100701890 /nfs/dbraw/zinc/70/18/90/1100701890.db2.gz SFBXRKLLDHIOTJ-HDMKZQKVSA-N 1 3 327.488 2.578 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1CC ZINC001087724035 1100701893 /nfs/dbraw/zinc/70/18/93/1100701893.db2.gz SFBXRKLLDHIOTJ-HDMKZQKVSA-N 1 3 327.488 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2ccccc2)CC1 ZINC001203443508 1101022880 /nfs/dbraw/zinc/02/28/80/1101022880.db2.gz VKHWZTWGVAQRLG-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC(NC(N)=O)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039658 1101083819 /nfs/dbraw/zinc/08/38/19/1101083819.db2.gz GVXUHJRSMFUKQY-HGKCTWBKSA-N 1 3 344.503 2.561 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC(NC(N)=O)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039658 1101083826 /nfs/dbraw/zinc/08/38/26/1101083826.db2.gz GVXUHJRSMFUKQY-HGKCTWBKSA-N 1 3 344.503 2.561 20 0 EFADHO C[C@@H]1CC([N@H+](C)CCN2CCOCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168040476 1101101533 /nfs/dbraw/zinc/10/15/33/1101101533.db2.gz NFVIJTUIYWRMRS-RTBURBONSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CC([N@@H+](C)CCN2CCOCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168040476 1101101537 /nfs/dbraw/zinc/10/15/37/1101101537.db2.gz NFVIJTUIYWRMRS-RTBURBONSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993291 1101167316 /nfs/dbraw/zinc/16/73/16/1101167316.db2.gz JLCQHORJDNMCRS-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993291 1101167318 /nfs/dbraw/zinc/16/73/18/1101167318.db2.gz JLCQHORJDNMCRS-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088011166 1101190090 /nfs/dbraw/zinc/19/00/90/1101190090.db2.gz BAVHWSNAQVNNOL-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088011166 1101190093 /nfs/dbraw/zinc/19/00/93/1101190093.db2.gz BAVHWSNAQVNNOL-HSALFYBXSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001167385376 1101389719 /nfs/dbraw/zinc/38/97/19/1101389719.db2.gz ALGCYJREWJXSPC-DLBZAZTESA-N 1 3 341.515 2.874 20 0 EFADHO CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001280394189 1101463843 /nfs/dbraw/zinc/46/38/43/1101463843.db2.gz DFEBXFJCUUNHCT-JTHGQSKGSA-N 1 3 335.536 2.853 20 0 EFADHO Cc1ccccc1CNCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000066994784 1101479702 /nfs/dbraw/zinc/47/97/02/1101479702.db2.gz DUYMTKWMUPMSEV-UHFFFAOYSA-N 1 3 325.456 2.576 20 0 EFADHO Cc1cc(C)cc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000066994527 1101479839 /nfs/dbraw/zinc/47/98/39/1101479839.db2.gz QEULTIVEVUUGTH-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088095612 1101511016 /nfs/dbraw/zinc/51/10/16/1101511016.db2.gz XXICSHMBUUNWGD-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088095612 1101511025 /nfs/dbraw/zinc/51/10/25/1101511025.db2.gz XXICSHMBUUNWGD-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001088106010 1101558920 /nfs/dbraw/zinc/55/89/20/1101558920.db2.gz KRFGUESZCOEUNV-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001088106010 1101558929 /nfs/dbraw/zinc/55/89/29/1101558929.db2.gz KRFGUESZCOEUNV-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001088121664 1101599312 /nfs/dbraw/zinc/59/93/12/1101599312.db2.gz QJTSTXACMMMPMC-MSOLQXFVSA-N 1 3 342.487 2.623 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]2C1 ZINC001088121664 1101599322 /nfs/dbraw/zinc/59/93/22/1101599322.db2.gz QJTSTXACMMMPMC-MSOLQXFVSA-N 1 3 342.487 2.623 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001088120953 1101603373 /nfs/dbraw/zinc/60/33/73/1101603373.db2.gz HGQVZRMUUZOVTH-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]2C1 ZINC001088120953 1101603383 /nfs/dbraw/zinc/60/33/83/1101603383.db2.gz HGQVZRMUUZOVTH-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001088120945 1101604008 /nfs/dbraw/zinc/60/40/08/1101604008.db2.gz HANFFCYEHLSWOX-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001088120945 1101604018 /nfs/dbraw/zinc/60/40/18/1101604018.db2.gz HANFFCYEHLSWOX-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088129297 1101622142 /nfs/dbraw/zinc/62/21/42/1101622142.db2.gz GZBUOAMRWXXSDN-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088129297 1101622148 /nfs/dbraw/zinc/62/21/48/1101622148.db2.gz GZBUOAMRWXXSDN-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC(N2CCC(=O)N(C)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168055973 1101655013 /nfs/dbraw/zinc/65/50/13/1101655013.db2.gz ZGYDMHFJPCBPGE-IRXDYDNUSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001104322461 1101729168 /nfs/dbraw/zinc/72/91/68/1101729168.db2.gz LKWXXUYNCZNHPB-RLLQIKCJSA-N 1 3 345.531 2.847 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCc2ccc3c(c2)OCCO3)c1 ZINC000069711466 1101729290 /nfs/dbraw/zinc/72/92/90/1101729290.db2.gz HYHZTZFYVBSPEV-UHFFFAOYSA-N 1 3 342.439 2.688 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210590 1101880341 /nfs/dbraw/zinc/88/03/41/1101880341.db2.gz QZUFVZDRRXPMOS-UXHICEINSA-N 1 3 343.515 2.942 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210590 1101880362 /nfs/dbraw/zinc/88/03/62/1101880362.db2.gz QZUFVZDRRXPMOS-UXHICEINSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@@H+]1C ZINC001655737455 1101880771 /nfs/dbraw/zinc/88/07/71/1101880771.db2.gz MZPIXZTUTXGHPT-DOTOQJQBSA-N 1 3 335.455 2.993 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@H+]1C ZINC001655737455 1101880785 /nfs/dbraw/zinc/88/07/85/1101880785.db2.gz MZPIXZTUTXGHPT-DOTOQJQBSA-N 1 3 335.455 2.993 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001088212769 1101888723 /nfs/dbraw/zinc/88/87/23/1101888723.db2.gz OOTUNHXICTWFTA-QYZOEREBSA-N 1 3 333.520 2.607 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C1 ZINC001088212769 1101888743 /nfs/dbraw/zinc/88/87/43/1101888743.db2.gz OOTUNHXICTWFTA-QYZOEREBSA-N 1 3 333.520 2.607 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001088212788 1101890490 /nfs/dbraw/zinc/89/04/90/1101890490.db2.gz PVQSQFTZFYUYQY-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C1 ZINC001088212788 1101890505 /nfs/dbraw/zinc/89/05/05/1101890505.db2.gz PVQSQFTZFYUYQY-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001104346738 1101969153 /nfs/dbraw/zinc/96/91/53/1101969153.db2.gz ILBISUDZBRZWTI-SZVBFZGTSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C[NH2+]CC1CC1 ZINC001075366821 1101979890 /nfs/dbraw/zinc/97/98/90/1101979890.db2.gz JCYSTJXYAKUYKC-JXFKEZNVSA-N 1 3 343.515 2.846 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001075367155 1101980942 /nfs/dbraw/zinc/98/09/42/1101980942.db2.gz NOZMCWRCAKTBPB-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1)N(C)C ZINC001104348704 1101997044 /nfs/dbraw/zinc/99/70/44/1101997044.db2.gz QCENFQJEZUALBC-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001271521506 1102060668 /nfs/dbraw/zinc/06/06/68/1102060668.db2.gz WHHBOFXNXGKZGF-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001271521506 1102060684 /nfs/dbraw/zinc/06/06/84/1102060684.db2.gz WHHBOFXNXGKZGF-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001167224427 1102079794 /nfs/dbraw/zinc/07/97/94/1102079794.db2.gz JOBMASIZFIADQU-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001271538282 1102083141 /nfs/dbraw/zinc/08/31/41/1102083141.db2.gz UVGUHHSQLYUUOG-HXUWFJFHSA-N 1 3 346.519 2.561 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001271538282 1102083161 /nfs/dbraw/zinc/08/31/61/1102083161.db2.gz UVGUHHSQLYUUOG-HXUWFJFHSA-N 1 3 346.519 2.561 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3ccccc3F)CC2)C1 ZINC001167232797 1102100051 /nfs/dbraw/zinc/10/00/51/1102100051.db2.gz QFHWIZITJJZEEK-INIZCTEOSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001167233016 1102101079 /nfs/dbraw/zinc/10/10/79/1102101079.db2.gz YEYFIHAYRIKTGJ-SFHVURJKSA-N 1 3 343.515 2.713 20 0 EFADHO CC/C=C/CC[NH2+]CC1(CCNC(=O)CN2CCC(C)(C)C2)CC1 ZINC001167240907 1102124372 /nfs/dbraw/zinc/12/43/72/1102124372.db2.gz USKHNYCHEJZWRY-AATRIKPKSA-N 1 3 335.536 2.951 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]CC3CCCC3)CC2)C1 ZINC001167240909 1102124445 /nfs/dbraw/zinc/12/44/45/1102124445.db2.gz UWQJUUXIDIPSDL-UHFFFAOYSA-N 1 3 335.536 2.785 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]CCCCCF)CC1)CC(C)(C)C ZINC001167240542 1102125226 /nfs/dbraw/zinc/12/52/26/1102125226.db2.gz MOCICRAFSYYRNW-UHFFFAOYSA-N 1 3 343.531 2.980 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC2(C[NH2+]Cc3ccsc3)CC2)C1 ZINC001167240177 1102125392 /nfs/dbraw/zinc/12/53/92/1102125392.db2.gz DSLKVEFCVMCMQM-UHFFFAOYSA-N 1 3 349.544 2.856 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001167260638 1102186021 /nfs/dbraw/zinc/18/60/21/1102186021.db2.gz BPHVJHQTNRLVID-SFHVURJKSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001167261098 1102187981 /nfs/dbraw/zinc/18/79/81/1102187981.db2.gz WALOWSZFVYWLQO-KRWDZBQOSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362951 1102214486 /nfs/dbraw/zinc/21/44/86/1102214486.db2.gz RHCVYXYUEXPMFK-BZUAXINKSA-N 1 3 329.504 2.539 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001104363862 1102217555 /nfs/dbraw/zinc/21/75/55/1102217555.db2.gz LCSYXBDUNYPGFH-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001271675874 1102235295 /nfs/dbraw/zinc/23/52/95/1102235295.db2.gz JBYDPFIWFPNQES-GJZGRUSLSA-N 1 3 349.441 2.736 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21)C(C)C ZINC001114988681 1102292171 /nfs/dbraw/zinc/29/21/71/1102292171.db2.gz JVESOSZVMHAQCU-MLHJIOFPSA-N 1 3 349.544 2.661 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21)C(C)C ZINC001114988683 1102305499 /nfs/dbraw/zinc/30/54/99/1102305499.db2.gz JVESOSZVMHAQCU-VSZNYVQBSA-N 1 3 349.544 2.661 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C)N(C)C ZINC001266880853 1102571615 /nfs/dbraw/zinc/57/16/15/1102571615.db2.gz PXLDJLUJXAYBGX-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001087175311 1102615264 /nfs/dbraw/zinc/61/52/64/1102615264.db2.gz HEQRGKSHVXNJAY-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC000970800790 1102785115 /nfs/dbraw/zinc/78/51/15/1102785115.db2.gz VEEOWHIKVSXKBB-RTBURBONSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000970800729 1102785507 /nfs/dbraw/zinc/78/55/07/1102785507.db2.gz RKXNBYATMJWWPA-MOPGFXCFSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC000970801267 1102786046 /nfs/dbraw/zinc/78/60/46/1102786046.db2.gz VQBIZLNUXLMITI-UXHICEINSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210789634 1102854586 /nfs/dbraw/zinc/85/45/86/1102854586.db2.gz PJNQJNPXGJIIFV-SFHVURJKSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001104291276 1102855787 /nfs/dbraw/zinc/85/57/87/1102855787.db2.gz KVYCKXFUDCNIKU-AHRSYUTCSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104291840 1102860318 /nfs/dbraw/zinc/86/03/18/1102860318.db2.gz WZINCQRDDJWUFW-ATZDWAIDSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccsc1 ZINC001104294675 1102880530 /nfs/dbraw/zinc/88/05/30/1102880530.db2.gz XNJLXICRUPFOFL-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088326131 1102928487 /nfs/dbraw/zinc/92/84/87/1102928487.db2.gz IANCHYSQOXOIJD-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088326131 1102928489 /nfs/dbraw/zinc/92/84/89/1102928489.db2.gz IANCHYSQOXOIJD-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001088327302 1102932543 /nfs/dbraw/zinc/93/25/43/1102932543.db2.gz JXRHLPIAMZAJHH-ZWKOTPCHSA-N 1 3 349.544 2.949 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271931305 1103097939 /nfs/dbraw/zinc/09/79/39/1103097939.db2.gz NMRFMXLTTNVNLM-NSHGMRRFSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271931305 1103097952 /nfs/dbraw/zinc/09/79/52/1103097952.db2.gz NMRFMXLTTNVNLM-NSHGMRRFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC3CC[NH+](CC4CC4)CC3)[C@@H]1C2 ZINC001168372074 1103230684 /nfs/dbraw/zinc/23/06/84/1103230684.db2.gz SQHGCXOBZKDNGE-SZMVWBNQSA-N 1 3 349.519 2.848 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001088376007 1103241963 /nfs/dbraw/zinc/24/19/63/1103241963.db2.gz WAUZYXYTORHWMV-RBUKOAKNSA-N 1 3 346.519 2.529 20 0 EFADHO CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381477 1103332660 /nfs/dbraw/zinc/33/26/60/1103332660.db2.gz FVDDPBWJTZLJGU-APWZRJJASA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001088382059 1103339718 /nfs/dbraw/zinc/33/97/18/1103339718.db2.gz SXOUOOVJVMGIFL-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001088383393 1103347968 /nfs/dbraw/zinc/34/79/68/1103347968.db2.gz CRIVJOPWFSGWIC-IRXDYDNUSA-N 1 3 337.533 2.949 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001088383693 1103350735 /nfs/dbraw/zinc/35/07/35/1103350735.db2.gz KVBRBGYAZSPAPV-MOPGFXCFSA-N 1 3 346.519 2.591 20 0 EFADHO CC1(C)CC(C[NH2+][C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001088390899 1103379520 /nfs/dbraw/zinc/37/95/20/1103379520.db2.gz YEMLSCYXZSQNAL-INIZCTEOSA-N 1 3 332.492 2.749 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001088390895 1103379912 /nfs/dbraw/zinc/37/99/12/1103379912.db2.gz YBQYQGXQXQJJPJ-KRWDZBQOSA-N 1 3 344.503 2.893 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001088390705 1103382131 /nfs/dbraw/zinc/38/21/31/1103382131.db2.gz TZGWCWSWPSYXKY-KRWDZBQOSA-N 1 3 326.444 2.513 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001661832921 1103454376 /nfs/dbraw/zinc/45/43/76/1103454376.db2.gz RPSNGFFYCPATNA-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccccc3F)C2)C1 ZINC001088424948 1103552290 /nfs/dbraw/zinc/55/22/90/1103552290.db2.gz JUXLQOVQXWHFJC-QZTJIDSGSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H](NCc3ccccc3F)C2)C1 ZINC001088424948 1103552298 /nfs/dbraw/zinc/55/22/98/1103552298.db2.gz JUXLQOVQXWHFJC-QZTJIDSGSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CCF)C2)c1 ZINC001088429858 1103579225 /nfs/dbraw/zinc/57/92/25/1103579225.db2.gz BDIYTXDMXGVESJ-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCSCC3)cc2)CC1 ZINC000078484607 1103727604 /nfs/dbraw/zinc/72/76/04/1103727604.db2.gz NHHMVEGVEBRTQV-UHFFFAOYSA-N 1 3 333.545 2.809 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001105427057 1103748605 /nfs/dbraw/zinc/74/86/05/1103748605.db2.gz BSUABWKTNVWEKG-PUZFROQSSA-N 1 3 343.515 2.687 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001483490465 1103805635 /nfs/dbraw/zinc/80/56/35/1103805635.db2.gz JKHCDLHHDYZXJE-GOSISDBHSA-N 1 3 337.483 2.658 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F)N(C)C ZINC001483504395 1103856446 /nfs/dbraw/zinc/85/64/46/1103856446.db2.gz PRJHUGDBMDAUBQ-SUMWQHHRSA-N 1 3 341.446 2.804 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001483565572 1103961311 /nfs/dbraw/zinc/96/13/11/1103961311.db2.gz FXFIZODMVCIZQE-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC(F)(F)F ZINC001483616660 1104085135 /nfs/dbraw/zinc/08/51/35/1104085135.db2.gz UANAMLQDKPWSFT-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@@](C[NH2+]CC(C)C)(c2ccccc2)C1)N(C)C ZINC001105438220 1104097697 /nfs/dbraw/zinc/09/76/97/1104097697.db2.gz AWJCKQNNZPENIC-IRFCIJBXSA-N 1 3 345.531 2.789 20 0 EFADHO COc1cc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)ccn1 ZINC001168395377 1104200749 /nfs/dbraw/zinc/20/07/49/1104200749.db2.gz XTCBHVQQMDGIPZ-UHFFFAOYSA-N 1 3 345.487 2.808 20 0 EFADHO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447552 1104214202 /nfs/dbraw/zinc/21/42/02/1104214202.db2.gz GIDHOXPGRHUBPZ-TYKWCNGQSA-N 1 3 345.531 2.933 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)C/C=C\c1ccccc1 ZINC001409591380 1104384764 /nfs/dbraw/zinc/38/47/64/1104384764.db2.gz OXYJCRNQMCIGLM-SAYIFAPPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001409591380 1104384777 /nfs/dbraw/zinc/38/47/77/1104384777.db2.gz OXYJCRNQMCIGLM-SAYIFAPPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001409591911 1104385844 /nfs/dbraw/zinc/38/58/44/1104385844.db2.gz PIZGFUTVLBLJKC-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001409591911 1104385855 /nfs/dbraw/zinc/38/58/55/1104385855.db2.gz PIZGFUTVLBLJKC-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CN(CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC001482602919 1104451186 /nfs/dbraw/zinc/45/11/86/1104451186.db2.gz LYFXMBYLOMEWHK-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC001482602919 1104451189 /nfs/dbraw/zinc/45/11/89/1104451189.db2.gz LYFXMBYLOMEWHK-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C(C)(C)C[NH2+]CCC2CC2)CC1 ZINC001101591266 1104492832 /nfs/dbraw/zinc/49/28/32/1104492832.db2.gz OYNNZFWVHLRLQC-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cncc(CN2CCCCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001409832091 1104515218 /nfs/dbraw/zinc/51/52/18/1104515218.db2.gz RJYHVNWOLVIQBO-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCCCN1CCC(F)(F)F ZINC001409834100 1104520122 /nfs/dbraw/zinc/52/01/22/1104520122.db2.gz USXYULYCKNBAMY-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001409644449 1104580654 /nfs/dbraw/zinc/58/06/54/1104580654.db2.gz NTKAIDDNZAWTGJ-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001409644449 1104580662 /nfs/dbraw/zinc/58/06/62/1104580662.db2.gz NTKAIDDNZAWTGJ-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482628723 1104687697 /nfs/dbraw/zinc/68/76/97/1104687697.db2.gz WYHCLFQAUDLLCO-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482628723 1104687699 /nfs/dbraw/zinc/68/76/99/1104687699.db2.gz WYHCLFQAUDLLCO-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088605284 1104852847 /nfs/dbraw/zinc/85/28/47/1104852847.db2.gz NPLHCKXQXKNCPM-YZGWKJHDSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088605284 1104852859 /nfs/dbraw/zinc/85/28/59/1104852859.db2.gz NPLHCKXQXKNCPM-YZGWKJHDSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482680061 1104890372 /nfs/dbraw/zinc/89/03/72/1104890372.db2.gz UTUMUORVUFHANP-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482680059 1104890943 /nfs/dbraw/zinc/89/09/43/1104890943.db2.gz UTUMUORVUFHANP-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001666825339 1105002878 /nfs/dbraw/zinc/00/28/78/1105002878.db2.gz BGSMYKORBPYRRZ-ZEVQVBBLSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001482930912 1105189626 /nfs/dbraw/zinc/18/96/26/1105189626.db2.gz JEHMMGHYSNUNJR-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001482930946 1105190387 /nfs/dbraw/zinc/19/03/87/1105190387.db2.gz JWAMTATXWXLUMT-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000261537538 1105232927 /nfs/dbraw/zinc/23/29/27/1105232927.db2.gz MIXFYEKJHWLMCZ-HKUYNNGSSA-N 1 3 331.504 2.603 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950573 1105247656 /nfs/dbraw/zinc/24/76/56/1105247656.db2.gz XFTKATHCQBVMDY-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482950573 1105247665 /nfs/dbraw/zinc/24/76/65/1105247665.db2.gz XFTKATHCQBVMDY-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001482963992 1105257260 /nfs/dbraw/zinc/25/72/60/1105257260.db2.gz VMONUPAVHOEWEE-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001668215145 1105259000 /nfs/dbraw/zinc/25/90/00/1105259000.db2.gz XAXRSKNXGNZEKT-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001668873537 1105390515 /nfs/dbraw/zinc/39/05/15/1105390515.db2.gz UICLORPNFQUXHL-OSJSJHBBSA-N 1 3 337.895 2.688 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988956337 1105400566 /nfs/dbraw/zinc/40/05/66/1105400566.db2.gz PUFBFXOTNLVJOB-WBVHZDCISA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988957194 1105400994 /nfs/dbraw/zinc/40/09/94/1105400994.db2.gz DQRJLBHCUGJJNX-CRAIPNDOSA-N 1 3 347.478 2.719 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988958002 1105401015 /nfs/dbraw/zinc/40/10/15/1105401015.db2.gz HOAIZFWKWLKACZ-LPHOPBHVSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957941 1105401162 /nfs/dbraw/zinc/40/11/62/1105401162.db2.gz GNUUHJLTMTWFEE-CRAIPNDOSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988957202 1105401423 /nfs/dbraw/zinc/40/14/23/1105401423.db2.gz DQRJLBHCUGJJNX-YJBOKZPZSA-N 1 3 347.478 2.719 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988958301 1105402015 /nfs/dbraw/zinc/40/20/15/1105402015.db2.gz JHXKJJAACMUHIB-HKUYNNGSSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964211 1105408101 /nfs/dbraw/zinc/40/81/01/1105408101.db2.gz ZUUNYKXFMIZBED-QZTJIDSGSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964209 1105408258 /nfs/dbraw/zinc/40/82/58/1105408258.db2.gz ZUUNYKXFMIZBED-MSOLQXFVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000988968920 1105412475 /nfs/dbraw/zinc/41/24/75/1105412475.db2.gz SUFLJWLRZLEEAJ-XJKSGUPXSA-N 1 3 335.517 2.620 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1)N(C)C ZINC001030019468 1105505276 /nfs/dbraw/zinc/50/52/76/1105505276.db2.gz KFJOHBIVUWDSPL-JENIJYKNSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001088622241 1105524926 /nfs/dbraw/zinc/52/49/26/1105524926.db2.gz NCZJGEDHGANACT-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CCC1CC1 ZINC001088622241 1105524931 /nfs/dbraw/zinc/52/49/31/1105524931.db2.gz NCZJGEDHGANACT-AYOQOUSVSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001030019518 1105568075 /nfs/dbraw/zinc/56/80/75/1105568075.db2.gz HZBOLXKQEFCDPD-FHLIZLRMSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000989392100 1105847332 /nfs/dbraw/zinc/84/73/32/1105847332.db2.gz TZICQMWHJQHEIH-QAPCUYQASA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000989392101 1105847428 /nfs/dbraw/zinc/84/74/28/1105847428.db2.gz TZICQMWHJQHEIH-YJBOKZPZSA-N 1 3 347.478 2.555 20 0 EFADHO CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563668 1105942984 /nfs/dbraw/zinc/94/29/84/1105942984.db2.gz QQWRPHUMGQAART-ZWKOTPCHSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105566858 1105944788 /nfs/dbraw/zinc/94/47/88/1105944788.db2.gz XSHVJQPPTRQFIH-SFHVURJKSA-N 1 3 344.503 2.893 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C1(C[NH2+]CC2CCC2)CCC1 ZINC001105566857 1105945215 /nfs/dbraw/zinc/94/52/15/1105945215.db2.gz XSHVJQPPTRQFIH-GOSISDBHSA-N 1 3 344.503 2.893 20 0 EFADHO CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566207 1105955452 /nfs/dbraw/zinc/95/54/52/1105955452.db2.gz GPJAWODIPPUNSJ-QGZVFWFLSA-N 1 3 332.492 2.893 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC001648993104 1106000092 /nfs/dbraw/zinc/00/00/92/1106000092.db2.gz ZFXZWHYPGHPEEV-HUUCEWRRSA-N 1 3 325.884 2.822 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000897998057 1106173715 /nfs/dbraw/zinc/17/37/15/1106173715.db2.gz NTNOSPPWJAETKN-TVPLGVNVSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000897998056 1106174020 /nfs/dbraw/zinc/17/40/20/1106174020.db2.gz NTNOSPPWJAETKN-FAFZWHIHSA-N 1 3 347.503 2.723 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449660 1106209135 /nfs/dbraw/zinc/20/91/35/1106209135.db2.gz KKLBEOWVUSTGJQ-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451790 1106213973 /nfs/dbraw/zinc/21/39/73/1106213973.db2.gz WBCUHJAZUWKMGU-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452284 1106229188 /nfs/dbraw/zinc/22/91/88/1106229188.db2.gz XXPZRCWTLPZSQY-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452287 1106229424 /nfs/dbraw/zinc/22/94/24/1106229424.db2.gz XXPZRCWTLPZSQY-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000989452516 1106229792 /nfs/dbraw/zinc/22/97/92/1106229792.db2.gz ZQYVXYGUEMEGRR-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCOC23CCOCC3)CC1 ZINC000898114731 1106235103 /nfs/dbraw/zinc/23/51/03/1106235103.db2.gz ALHCIQMUCBYJBG-NZSAHSFTSA-N 1 3 336.520 2.957 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989456624 1106270726 /nfs/dbraw/zinc/27/07/26/1106270726.db2.gz ASYTXQMJJZXIPL-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989456624 1106270730 /nfs/dbraw/zinc/27/07/30/1106270730.db2.gz ASYTXQMJJZXIPL-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000089546835 1106302320 /nfs/dbraw/zinc/30/23/20/1106302320.db2.gz ZLMVMQIFGGMVIP-OXQOHEQNSA-N 1 3 343.515 2.961 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989473603 1106341856 /nfs/dbraw/zinc/34/18/56/1106341856.db2.gz BOHRRSNPUPBTIU-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989473603 1106341861 /nfs/dbraw/zinc/34/18/61/1106341861.db2.gz BOHRRSNPUPBTIU-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989474030 1106349911 /nfs/dbraw/zinc/34/99/11/1106349911.db2.gz FEUYMLKGTUUDSF-SFHVURJKSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989474030 1106349914 /nfs/dbraw/zinc/34/99/14/1106349914.db2.gz FEUYMLKGTUUDSF-SFHVURJKSA-N 1 3 343.515 2.625 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989483196 1106360446 /nfs/dbraw/zinc/36/04/46/1106360446.db2.gz PAIXGSKAIZGDSZ-ROUUACIJSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989483196 1106360450 /nfs/dbraw/zinc/36/04/50/1106360450.db2.gz PAIXGSKAIZGDSZ-ROUUACIJSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989483194 1106360699 /nfs/dbraw/zinc/36/06/99/1106360699.db2.gz PAIXGSKAIZGDSZ-MSOLQXFVSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@H](c1ccccc1)N1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989483194 1106360703 /nfs/dbraw/zinc/36/07/03/1106360703.db2.gz PAIXGSKAIZGDSZ-MSOLQXFVSA-N 1 3 329.488 2.624 20 0 EFADHO CC[C@H](c1ccccc1)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989493254 1106367264 /nfs/dbraw/zinc/36/72/64/1106367264.db2.gz XFOPMQXBTDAJIW-LJQANCHMSA-N 1 3 341.499 2.768 20 0 EFADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302234 1106437123 /nfs/dbraw/zinc/43/71/23/1106437123.db2.gz LWNCBGUAJQORHW-INIZCTEOSA-N 1 3 349.494 2.986 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302235 1106437161 /nfs/dbraw/zinc/43/71/61/1106437161.db2.gz LWNCBGUAJQORHW-MRXNPFEDSA-N 1 3 349.494 2.986 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604868 1106481203 /nfs/dbraw/zinc/48/12/03/1106481203.db2.gz GCBUDXKZVGZDEL-SJLPKXTDSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606837 1106482779 /nfs/dbraw/zinc/48/27/79/1106482779.db2.gz VVXJYZQEOLIURT-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241319 1106488599 /nfs/dbraw/zinc/48/85/99/1106488599.db2.gz NGSOYYNNGUNRHD-HXUWFJFHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241319 1106488601 /nfs/dbraw/zinc/48/86/01/1106488601.db2.gz NGSOYYNNGUNRHD-HXUWFJFHSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241626 1106491910 /nfs/dbraw/zinc/49/19/10/1106491910.db2.gz QDHWCIPRZJSYBW-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241626 1106491914 /nfs/dbraw/zinc/49/19/14/1106491914.db2.gz QDHWCIPRZJSYBW-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)c1 ZINC000989661591 1106523019 /nfs/dbraw/zinc/52/30/19/1106523019.db2.gz JLHUDRIJVMFOSL-LJQANCHMSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c(C)c1 ZINC000989661591 1106523025 /nfs/dbraw/zinc/52/30/25/1106523025.db2.gz JLHUDRIJVMFOSL-LJQANCHMSA-N 1 3 343.515 2.598 20 0 EFADHO CC(C)c1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989666108 1106527521 /nfs/dbraw/zinc/52/75/21/1106527521.db2.gz UXDFECXLWMMIKK-LJQANCHMSA-N 1 3 343.515 2.796 20 0 EFADHO CC(C)c1ccccc1CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989666108 1106527524 /nfs/dbraw/zinc/52/75/24/1106527524.db2.gz UXDFECXLWMMIKK-LJQANCHMSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000989728582 1106601615 /nfs/dbraw/zinc/60/16/15/1106601615.db2.gz ORODIRVNTKKRIL-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000989728582 1106601617 /nfs/dbraw/zinc/60/16/17/1106601617.db2.gz ORODIRVNTKKRIL-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000989728107 1106601690 /nfs/dbraw/zinc/60/16/90/1106601690.db2.gz BDXFXEHEQURXGD-CALCHBBNSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000989728107 1106601692 /nfs/dbraw/zinc/60/16/92/1106601692.db2.gz BDXFXEHEQURXGD-CALCHBBNSA-N 1 3 349.544 2.698 20 0 EFADHO CC1CC(C[N@@H+]2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC000989729700 1106603258 /nfs/dbraw/zinc/60/32/58/1106603258.db2.gz BTURKFPPBKDQGT-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CC1CC(C[N@H+]2CCCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC000989729700 1106603259 /nfs/dbraw/zinc/60/32/59/1106603259.db2.gz BTURKFPPBKDQGT-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CN1C(=O)CN1CCCC1 ZINC000989800996 1106657634 /nfs/dbraw/zinc/65/76/34/1106657634.db2.gz WZANBEGMFGQEKC-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000989796079 1106666042 /nfs/dbraw/zinc/66/60/42/1106666042.db2.gz HDEVHCMAEDTZIW-NVXWUHKLSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000989796533 1106667613 /nfs/dbraw/zinc/66/76/13/1106667613.db2.gz NKNTXWSCQMFAPP-RTBURBONSA-N 1 3 343.515 2.787 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000989797462 1106668220 /nfs/dbraw/zinc/66/82/20/1106668220.db2.gz XTHIDFYQJPQUDT-GUYCJALGSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)CN1C(=O)CN1CCCC1 ZINC000989798967 1106670102 /nfs/dbraw/zinc/67/01/02/1106670102.db2.gz IBMDVBVSIVUKFK-WBVHZDCISA-N 1 3 341.455 2.608 20 0 EFADHO C[NH+](C)C1CCC(N2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001168319467 1106677601 /nfs/dbraw/zinc/67/76/01/1106677601.db2.gz UJSZCZMXQQICLG-BHUNQDJPSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccsc2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829770 1106688135 /nfs/dbraw/zinc/68/81/35/1106688135.db2.gz WIKRNMKYWCVVTE-WBVHZDCISA-N 1 3 335.517 2.703 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@H+](CCCc2ccccc2)CC1)N(C)C ZINC001677575515 1106750604 /nfs/dbraw/zinc/75/06/04/1106750604.db2.gz WNGOGCFDQAYCNA-HXUWFJFHSA-N 1 3 343.515 2.708 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@@H+](CCCc2ccccc2)CC1)N(C)C ZINC001677575515 1106750617 /nfs/dbraw/zinc/75/06/17/1106750617.db2.gz WNGOGCFDQAYCNA-HXUWFJFHSA-N 1 3 343.515 2.708 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001168335212 1107156312 /nfs/dbraw/zinc/15/63/12/1107156312.db2.gz BRNCXRMDKGNTOI-IBGZPJMESA-N 1 3 343.515 2.937 20 0 EFADHO O=C1OCCCN1c1cccc(C[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC001168368781 1107310653 /nfs/dbraw/zinc/31/06/53/1107310653.db2.gz PBEWMBWTIKOAMG-UHFFFAOYSA-N 1 3 343.471 2.997 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1 ZINC001089037401 1107331751 /nfs/dbraw/zinc/33/17/51/1107331751.db2.gz CLDBSPNRHWYVSA-AHRSYUTCSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1 ZINC001089037401 1107331766 /nfs/dbraw/zinc/33/17/66/1107331766.db2.gz CLDBSPNRHWYVSA-AHRSYUTCSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cccc(Cl)c1C[N@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089038476 1107332103 /nfs/dbraw/zinc/33/21/03/1107332103.db2.gz XUNMBFMYFJTKDD-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001089038476 1107332120 /nfs/dbraw/zinc/33/21/20/1107332120.db2.gz XUNMBFMYFJTKDD-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)c1 ZINC001168346197 1107390605 /nfs/dbraw/zinc/39/06/05/1107390605.db2.gz XDZPIGKAGMQQOJ-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000990243324 1107552250 /nfs/dbraw/zinc/55/22/50/1107552250.db2.gz DFEQKAKIWBYENY-RDTXWAMCSA-N 1 3 333.451 2.562 20 0 EFADHO COC(=O)c1ccc(C2([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168351074 1107565474 /nfs/dbraw/zinc/56/54/74/1107565474.db2.gz AWDXYHDZIQIDFE-UHFFFAOYSA-N 1 3 328.456 2.926 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000990275569 1107587612 /nfs/dbraw/zinc/58/76/12/1107587612.db2.gz BDVISUYLBKDMGW-UXHICEINSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000990275901 1107589015 /nfs/dbraw/zinc/58/90/15/1107589015.db2.gz DINUXXUXTNGFPX-KRWDZBQOSA-N 1 3 335.879 2.515 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001483688529 1107732386 /nfs/dbraw/zinc/73/23/86/1107732386.db2.gz HGNVRMRXCKLPSF-RBUKOAKNSA-N 1 3 343.515 2.639 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001483688529 1107732397 /nfs/dbraw/zinc/73/23/97/1107732397.db2.gz HGNVRMRXCKLPSF-RBUKOAKNSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)(C)CC[C@@H](N)C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000904361153 1107845056 /nfs/dbraw/zinc/84/50/56/1107845056.db2.gz WNQXCMUSQYNNJF-RTBURBONSA-N 1 3 333.520 2.803 20 0 EFADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000904361151 1107845543 /nfs/dbraw/zinc/84/55/43/1107845543.db2.gz WNQXCMUSQYNNJF-OALUTQOASA-N 1 3 333.520 2.803 20 0 EFADHO CCN1CCN(c2ccc(NC[C@]3(C)CCC[NH2+]C3)c(C)c2)CC1 ZINC000904358284 1107850638 /nfs/dbraw/zinc/85/06/38/1107850638.db2.gz JHLFNOAWJHNYJO-HXUWFJFHSA-N 1 3 330.520 2.939 20 0 EFADHO Cc1cc(N2CCC([NH2+]C[C@H](N)CCC(C)(C)C)CC2)nc(C)n1 ZINC000904367743 1107859112 /nfs/dbraw/zinc/85/91/12/1107859112.db2.gz HHLYTZBIYYEBSV-MRXNPFEDSA-N 1 3 333.524 2.805 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904389690 1107877480 /nfs/dbraw/zinc/87/74/80/1107877480.db2.gz QTGOVGLZVCUBQC-OXQOHEQNSA-N 1 3 345.487 2.735 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099131115 1107904131 /nfs/dbraw/zinc/90/41/31/1107904131.db2.gz YEMWBLNDANWGKY-HNNXBMFYSA-N 1 3 329.504 2.683 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099131115 1107904140 /nfs/dbraw/zinc/90/41/40/1107904140.db2.gz YEMWBLNDANWGKY-HNNXBMFYSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1cc(C)n2c(CN3CCC(C[NH3+])(c4ccccc4)CC3)cnc2n1 ZINC000904459012 1107956275 /nfs/dbraw/zinc/95/62/75/1107956275.db2.gz MPUUEVPXOLCBRP-UHFFFAOYSA-N 1 3 349.482 2.839 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000904468429 1107959674 /nfs/dbraw/zinc/95/96/74/1107959674.db2.gz CKLMUNXOOIFIHP-MISYRCLQSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1cccc2ccccc21 ZINC000904483640 1107970128 /nfs/dbraw/zinc/97/01/28/1107970128.db2.gz KXAWVMZSABDPEV-CVEARBPZSA-N 1 3 325.456 2.688 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccccc3C[NH3+])C2)cc1 ZINC000904626880 1108069376 /nfs/dbraw/zinc/06/93/76/1108069376.db2.gz SUWWWYCSOKDPKK-GOSISDBHSA-N 1 3 338.455 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001089225917 1108085936 /nfs/dbraw/zinc/08/59/36/1108085936.db2.gz BHKVSXXQJHKYKY-QFBILLFUSA-N 1 3 341.515 2.920 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001089225917 1108085948 /nfs/dbraw/zinc/08/59/48/1108085948.db2.gz BHKVSXXQJHKYKY-QFBILLFUSA-N 1 3 341.515 2.920 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC001089228458 1108086863 /nfs/dbraw/zinc/08/68/63/1108086863.db2.gz CWDRIRGWMFMVML-OALUTQOASA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC001089228458 1108086877 /nfs/dbraw/zinc/08/68/77/1108086877.db2.gz CWDRIRGWMFMVML-OALUTQOASA-N 1 3 331.504 2.840 20 0 EFADHO C[C@H]1C[C@H](NC(=O)Nc2ccccc2C[NH3+])CN1Cc1ccccc1 ZINC000904651684 1108087724 /nfs/dbraw/zinc/08/77/24/1108087724.db2.gz GMGLBRHGHQEQLF-YJBOKZPZSA-N 1 3 338.455 2.930 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001089227028 1108089542 /nfs/dbraw/zinc/08/95/42/1108089542.db2.gz PHFNIQLQXVWASZ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001089227028 1108089556 /nfs/dbraw/zinc/08/95/56/1108089556.db2.gz PHFNIQLQXVWASZ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089232687 1108111461 /nfs/dbraw/zinc/11/14/61/1108111461.db2.gz CMXWWMOQENPZDI-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001089232687 1108111468 /nfs/dbraw/zinc/11/14/68/1108111468.db2.gz CMXWWMOQENPZDI-SFHVURJKSA-N 1 3 344.503 2.845 20 0 EFADHO CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391979 1108139794 /nfs/dbraw/zinc/13/97/94/1108139794.db2.gz RXTJXQBFXYFGTI-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391979 1108139800 /nfs/dbraw/zinc/13/98/00/1108139800.db2.gz RXTJXQBFXYFGTI-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CC[NH+](CC)CCC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001272402751 1108189012 /nfs/dbraw/zinc/18/90/12/1108189012.db2.gz WTIHZADFGAYMBC-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001272416219 1108233752 /nfs/dbraw/zinc/23/37/52/1108233752.db2.gz YCJDBIIYVJQKOQ-AZUAARDMSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001272416219 1108233761 /nfs/dbraw/zinc/23/37/61/1108233761.db2.gz YCJDBIIYVJQKOQ-AZUAARDMSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1cccc([C@@H](O)CNCc2ccccc2OCC[NH+](C)C)c1 ZINC000905075003 1108398238 /nfs/dbraw/zinc/39/82/38/1108398238.db2.gz IBJXVSVFNFXLJF-IBGZPJMESA-N 1 3 328.456 2.759 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@](C)(O)C(F)F ZINC000905165698 1108485403 /nfs/dbraw/zinc/48/54/03/1108485403.db2.gz DZCHEKUFEBYCER-MMNPAVHPSA-N 1 3 326.431 2.749 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@](C)(O)C(F)F ZINC000905165698 1108485407 /nfs/dbraw/zinc/48/54/07/1108485407.db2.gz DZCHEKUFEBYCER-MMNPAVHPSA-N 1 3 326.431 2.749 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001101039357 1108685930 /nfs/dbraw/zinc/68/59/30/1108685930.db2.gz IBTWHGDYTRGGCR-UHFFFAOYSA-N 1 3 337.430 2.544 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768981 1108728678 /nfs/dbraw/zinc/72/86/78/1108728678.db2.gz MOJJSJANCFUJSN-AYOQOUSVSA-N 1 3 335.536 2.876 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)[C@H]1C ZINC001088768981 1108728686 /nfs/dbraw/zinc/72/86/86/1108728686.db2.gz MOJJSJANCFUJSN-AYOQOUSVSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001088770284 1108733031 /nfs/dbraw/zinc/73/30/31/1108733031.db2.gz GWDIWFCGNJNIDO-UXPWSPDFSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC001088770284 1108733038 /nfs/dbraw/zinc/73/30/38/1108733038.db2.gz GWDIWFCGNJNIDO-UXPWSPDFSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075333440 1108760130 /nfs/dbraw/zinc/76/01/30/1108760130.db2.gz RSBMZPUEMNWGMY-AEFFLSMTSA-N 1 3 335.536 2.593 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C/Cl)CCCCC2)CCC1 ZINC001115571711 1108765142 /nfs/dbraw/zinc/76/51/42/1108765142.db2.gz LRZRVGQPMLGXTI-KPKJPENVSA-N 1 3 327.900 2.632 20 0 EFADHO CC[C@@H](CNC(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC001168362981 1109091915 /nfs/dbraw/zinc/09/19/15/1109091915.db2.gz OGYUYJWAWSJNBA-HNNXBMFYSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCN1CCCF ZINC001088812266 1109106308 /nfs/dbraw/zinc/10/63/08/1109106308.db2.gz VOCIYYWVCCQVKP-BPQIPLTHSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCN1CCCF ZINC001088812266 1109106310 /nfs/dbraw/zinc/10/63/10/1109106310.db2.gz VOCIYYWVCCQVKP-BPQIPLTHSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@@H+]1CCCF ZINC001088812266 1109106313 /nfs/dbraw/zinc/10/63/13/1109106313.db2.gz VOCIYYWVCCQVKP-BPQIPLTHSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C2CCCC2)CC[N@H+]1CCCF ZINC001088812266 1109106317 /nfs/dbraw/zinc/10/63/17/1109106317.db2.gz VOCIYYWVCCQVKP-BPQIPLTHSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(F)c1F ZINC001143611115 1109491967 /nfs/dbraw/zinc/49/19/67/1109491967.db2.gz QIEMXUDLXDFQOR-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324291 1109767483 /nfs/dbraw/zinc/76/74/83/1109767483.db2.gz QRRAJENOCFTQRU-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324291 1109767486 /nfs/dbraw/zinc/76/74/86/1109767486.db2.gz QRRAJENOCFTQRU-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324290 1109767652 /nfs/dbraw/zinc/76/76/52/1109767652.db2.gz QRRAJENOCFTQRU-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21)N1CCCCCC1 ZINC001076324290 1109767656 /nfs/dbraw/zinc/76/76/56/1109767656.db2.gz QRRAJENOCFTQRU-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001483161434 1109897414 /nfs/dbraw/zinc/89/74/14/1109897414.db2.gz ICVOBZLAEVZHLF-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)CN(C)CC(C)(C)C ZINC001483166553 1109912798 /nfs/dbraw/zinc/91/27/98/1109912798.db2.gz JTPCJIKUVNPRSW-GFCCVEGCSA-N 1 3 345.940 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@H+](CC4CCC4)C[C@H]32)c1 ZINC001076603951 1109944223 /nfs/dbraw/zinc/94/42/23/1109944223.db2.gz FJPWIAXGDZBUMS-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)c1 ZINC001076603951 1109944227 /nfs/dbraw/zinc/94/42/27/1109944227.db2.gz FJPWIAXGDZBUMS-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604201 1109944464 /nfs/dbraw/zinc/94/44/64/1109944464.db2.gz RSFDXJJYPSOZKD-LSTHTHJFSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604201 1109944466 /nfs/dbraw/zinc/94/44/66/1109944466.db2.gz RSFDXJJYPSOZKD-LSTHTHJFSA-N 1 3 343.515 2.941 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106250062 1111221608 /nfs/dbraw/zinc/22/16/08/1111221608.db2.gz XLYWDDNJRWANIM-ATZDWAIDSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1)N(C)C ZINC001106281845 1111308462 /nfs/dbraw/zinc/30/84/62/1111308462.db2.gz GYUJBUMGNVTMTC-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CCc1cccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127316906 1111346137 /nfs/dbraw/zinc/34/61/37/1111346137.db2.gz DNSICIDYZPSIRO-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]C/C=C/c1ccccc1)N1CCCCC1 ZINC001127317838 1111352923 /nfs/dbraw/zinc/35/29/23/1111352923.db2.gz XMQRGZJQUHOUFX-FMIVXFBMSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1)N(C)C ZINC001106308815 1111396486 /nfs/dbraw/zinc/39/64/86/1111396486.db2.gz BRHBXSXTKXHZRY-ABNANJIJSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1)N(C)C ZINC001106312835 1111399532 /nfs/dbraw/zinc/39/95/32/1111399532.db2.gz PTPYDUYOXLAWQP-MISYRCLQSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@H]1CCc2ccccc21)N1CCCCC1 ZINC001127321745 1111412707 /nfs/dbraw/zinc/41/27/07/1111412707.db2.gz FGAITJFSYDVBCR-SFHVURJKSA-N 1 3 329.488 2.644 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CCCCC(F)(F)F)N1CCCCC1 ZINC001127321985 1111414666 /nfs/dbraw/zinc/41/46/66/1111414666.db2.gz IZABEKWZWDYNQP-UHFFFAOYSA-N 1 3 337.430 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225432 1111518478 /nfs/dbraw/zinc/51/84/78/1111518478.db2.gz VBBYOKGEEDLLSF-DLBZAZTESA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225432 1111518481 /nfs/dbraw/zinc/51/84/81/1111518481.db2.gz VBBYOKGEEDLLSF-DLBZAZTESA-N 1 3 325.541 2.835 20 0 EFADHO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001272608314 1111551136 /nfs/dbraw/zinc/55/11/36/1111551136.db2.gz OLYACKXDEAPWGJ-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106665261 1111707991 /nfs/dbraw/zinc/70/79/91/1111707991.db2.gz PDNQTBONBDHFPV-IOIJZZRGSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3CCCC3)[C@H](C)C2)C1 ZINC001106666501 1111709433 /nfs/dbraw/zinc/70/94/33/1111709433.db2.gz MQYGPUQYSMATQQ-YQVWRLOYSA-N 1 3 335.536 2.593 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669099 1111711851 /nfs/dbraw/zinc/71/18/51/1111711851.db2.gz WSSFGCYDWGMFOM-QZTJIDSGSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](Cc1cccc(F)c1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001168499831 1111798125 /nfs/dbraw/zinc/79/81/25/1111798125.db2.gz GHPATSRLVABWDJ-QGZVFWFLSA-N 1 3 333.495 2.716 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C[C@@H](F)CC)[C@H](C)C1 ZINC001106775557 1111821738 /nfs/dbraw/zinc/82/17/38/1111821738.db2.gz OZYZEBUFXGAWTQ-KURKYZTESA-N 1 3 343.531 2.931 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC001106778284 1111825188 /nfs/dbraw/zinc/82/51/88/1111825188.db2.gz CIHMIXGQTBCVFR-JXYKKQOOSA-N 1 3 343.515 2.726 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001106779327 1111826431 /nfs/dbraw/zinc/82/64/31/1111826431.db2.gz JHGVERMHSBHGST-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001106783317 1111828926 /nfs/dbraw/zinc/82/89/26/1111828926.db2.gz MHBJZCSFRWXYJH-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@H](C)C1 ZINC001106783852 1111829758 /nfs/dbraw/zinc/82/97/58/1111829758.db2.gz XZXISXWQWMLBAK-JWHDQAAXSA-N 1 3 337.552 2.839 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203524553 1111947442 /nfs/dbraw/zinc/94/74/42/1111947442.db2.gz WSHKMSRNXFANIM-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCC1 ZINC001089384471 1112046957 /nfs/dbraw/zinc/04/69/57/1112046957.db2.gz DFHKYMZTKIWDNF-MRXNPFEDSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCc2ccccc2)C1 ZINC001409904573 1112104730 /nfs/dbraw/zinc/10/47/30/1112104730.db2.gz GCEGXBZQWOFFJP-KRWDZBQOSA-N 1 3 345.531 2.644 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC1 ZINC001089484087 1112214755 /nfs/dbraw/zinc/21/47/55/1112214755.db2.gz RUTFWRSGJDNLHK-LWAXHKBTSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089491551 1112226609 /nfs/dbraw/zinc/22/66/09/1112226609.db2.gz PHYZIEMIMILZKN-KEMBLGFASA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089491551 1112226611 /nfs/dbraw/zinc/22/66/11/1112226611.db2.gz PHYZIEMIMILZKN-KEMBLGFASA-N 1 3 341.927 2.688 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492607 1112227245 /nfs/dbraw/zinc/22/72/45/1112227245.db2.gz LLSBCFQIBRHRDO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)CC(C)(C)C1 ZINC001089492607 1112227247 /nfs/dbraw/zinc/22/72/47/1112227247.db2.gz LLSBCFQIBRHRDO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491763 1112227976 /nfs/dbraw/zinc/22/79/76/1112227976.db2.gz UUBMKHVAADWZEM-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491763 1112227980 /nfs/dbraw/zinc/22/79/80/1112227980.db2.gz UUBMKHVAADWZEM-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509378 1112251293 /nfs/dbraw/zinc/25/12/93/1112251293.db2.gz BMMHFOLNRWLBBG-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509378 1112251294 /nfs/dbraw/zinc/25/12/94/1112251294.db2.gz BMMHFOLNRWLBBG-DLBZAZTESA-N 1 3 341.515 2.826 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001089548051 1112293233 /nfs/dbraw/zinc/29/32/33/1112293233.db2.gz FLNMPTMGRKRONM-ZFWWWQNUSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001089548051 1112293236 /nfs/dbraw/zinc/29/32/36/1112293236.db2.gz FLNMPTMGRKRONM-ZFWWWQNUSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)C2)CC(C)(C)C1 ZINC001089549501 1112294136 /nfs/dbraw/zinc/29/41/36/1112294136.db2.gz ZVDTVPICSJLNLC-PREGVCBESA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)CC(C)(C)C1 ZINC001089549501 1112294138 /nfs/dbraw/zinc/29/41/38/1112294138.db2.gz ZVDTVPICSJLNLC-PREGVCBESA-N 1 3 346.519 2.914 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560318 1112309191 /nfs/dbraw/zinc/30/91/91/1112309191.db2.gz AXJYKSDZNISRJF-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560318 1112309194 /nfs/dbraw/zinc/30/91/94/1112309194.db2.gz AXJYKSDZNISRJF-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031715420 1112416556 /nfs/dbraw/zinc/41/65/56/1112416556.db2.gz UPBCDYABQVKJFW-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031715420 1112416557 /nfs/dbraw/zinc/41/65/57/1112416557.db2.gz UPBCDYABQVKJFW-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031715332 1112416561 /nfs/dbraw/zinc/41/65/61/1112416561.db2.gz RPTLASGXCOBCED-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031715332 1112416562 /nfs/dbraw/zinc/41/65/62/1112416562.db2.gz RPTLASGXCOBCED-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089639572 1112429109 /nfs/dbraw/zinc/42/91/09/1112429109.db2.gz XOPMEQQTWPKPNF-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089639572 1112429110 /nfs/dbraw/zinc/42/91/10/1112429110.db2.gz XOPMEQQTWPKPNF-IRXDYDNUSA-N 1 3 341.515 2.826 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089648547 1112447510 /nfs/dbraw/zinc/44/75/10/1112447510.db2.gz MFSJCRGGTCJCMD-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089648547 1112447512 /nfs/dbraw/zinc/44/75/12/1112447512.db2.gz MFSJCRGGTCJCMD-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1C ZINC001272678424 1112463325 /nfs/dbraw/zinc/46/33/25/1112463325.db2.gz MMSYGSZXCTXBRE-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1C ZINC001272678424 1112463330 /nfs/dbraw/zinc/46/33/30/1112463330.db2.gz MMSYGSZXCTXBRE-NRFANRHFSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C[NH+]2CCC(C)(NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001483971375 1112602863 /nfs/dbraw/zinc/60/28/63/1112602863.db2.gz RJVWKRFXXIJVLZ-HNNXBMFYSA-N 1 3 349.544 2.869 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccccc2F)CC1 ZINC001484144712 1112821626 /nfs/dbraw/zinc/82/16/26/1112821626.db2.gz KQHLRNYUYVGRLY-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2ccccc2F)CC1 ZINC001484144712 1112821631 /nfs/dbraw/zinc/82/16/31/1112821631.db2.gz KQHLRNYUYVGRLY-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001484540551 1112994847 /nfs/dbraw/zinc/99/48/47/1112994847.db2.gz WJNYQWQZLWUULY-CABCVRRESA-N 1 3 344.434 2.681 20 0 EFADHO CCc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001484548121 1112996133 /nfs/dbraw/zinc/99/61/33/1112996133.db2.gz VWIKWJJFRRKNNV-WOJBJXKFSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC001484563339 1113018582 /nfs/dbraw/zinc/01/85/82/1113018582.db2.gz NCYRAZKSRLKBME-CYBMUJFWSA-N 1 3 326.444 2.638 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819597 1117817511 /nfs/dbraw/zinc/81/75/11/1117817511.db2.gz HPILSSRAEXSMLG-NBYUQASBSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089819597 1117817516 /nfs/dbraw/zinc/81/75/16/1117817516.db2.gz HPILSSRAEXSMLG-NBYUQASBSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272694659 1117945434 /nfs/dbraw/zinc/94/54/34/1117945434.db2.gz BULYTJIUWAWCPB-SJORKVTESA-N 1 3 341.499 2.584 20 0 EFADHO CN(Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001485066810 1117989598 /nfs/dbraw/zinc/98/95/98/1117989598.db2.gz BNMCXMQTDNMPCA-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C)c(F)c1 ZINC001485072858 1118011110 /nfs/dbraw/zinc/01/11/10/1118011110.db2.gz LFKWNOSFKDTXMT-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C)c(F)c1 ZINC001485072858 1118011117 /nfs/dbraw/zinc/01/11/17/1118011117.db2.gz LFKWNOSFKDTXMT-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC001127644331 1118049320 /nfs/dbraw/zinc/04/93/20/1118049320.db2.gz ZRFBISQKUXPMSD-DGCLKSJQSA-N 1 3 344.286 2.539 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC001127644331 1118049324 /nfs/dbraw/zinc/04/93/24/1118049324.db2.gz ZRFBISQKUXPMSD-DGCLKSJQSA-N 1 3 344.286 2.539 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001485266118 1118184918 /nfs/dbraw/zinc/18/49/18/1118184918.db2.gz SFZYBEBDEXRKGM-DAWZGUTISA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CC(F)(F)C1 ZINC001485301042 1118217704 /nfs/dbraw/zinc/21/77/04/1118217704.db2.gz HDSSNIOFRKXMOT-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001485301042 1118217706 /nfs/dbraw/zinc/21/77/06/1118217706.db2.gz HDSSNIOFRKXMOT-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001485534202 1118445309 /nfs/dbraw/zinc/44/53/09/1118445309.db2.gz XJANHGCDYHMHQH-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001485534202 1118445311 /nfs/dbraw/zinc/44/53/11/1118445311.db2.gz XJANHGCDYHMHQH-GOSISDBHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000995187890 1118755740 /nfs/dbraw/zinc/75/57/40/1118755740.db2.gz UOVOFLYPYQIZGW-NVXWUHKLSA-N 1 3 344.503 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000995187869 1118755901 /nfs/dbraw/zinc/75/59/01/1118755901.db2.gz UMSUDMZJPGOBJP-ROUUACIJSA-N 1 3 340.471 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC(C)C)CC2 ZINC001040954035 1118801962 /nfs/dbraw/zinc/80/19/62/1118801962.db2.gz VPQCGUPQCDNFLX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001032027028 1118948341 /nfs/dbraw/zinc/94/83/41/1118948341.db2.gz MDMBGOYAUODFKV-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107028536 1119817262 /nfs/dbraw/zinc/81/72/62/1119817262.db2.gz CTTDVVOHUBOQEC-GPMSIDNRSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107028537 1119817465 /nfs/dbraw/zinc/81/74/65/1119817465.db2.gz CTTDVVOHUBOQEC-JTDSTZFVSA-N 1 3 349.494 2.794 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107035571 1120005634 /nfs/dbraw/zinc/00/56/34/1120005634.db2.gz NDLRBNOSNCDICG-SJLPKXTDSA-N 1 3 331.504 2.702 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001107042241 1120067009 /nfs/dbraw/zinc/06/70/09/1120067009.db2.gz CCCNICXNZMEULT-SJLPKXTDSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC000944446210 1120194387 /nfs/dbraw/zinc/19/43/87/1120194387.db2.gz SMBQCAAMEHMVLC-PBHICJAKSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC000944446210 1120194389 /nfs/dbraw/zinc/19/43/89/1120194389.db2.gz SMBQCAAMEHMVLC-PBHICJAKSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C[C@@H]1C ZINC000944445963 1120194445 /nfs/dbraw/zinc/19/44/45/1120194445.db2.gz RNFSCSIVWFAOLI-MAUKXSAKSA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C[C@@H]1C ZINC000944445963 1120194449 /nfs/dbraw/zinc/19/44/49/1120194449.db2.gz RNFSCSIVWFAOLI-MAUKXSAKSA-N 1 3 344.503 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001032206146 1120200104 /nfs/dbraw/zinc/20/01/04/1120200104.db2.gz SRFRMJQBUIWEKZ-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001032206148 1120200401 /nfs/dbraw/zinc/20/04/01/1120200401.db2.gz SRFRMJQBUIWEKZ-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001032206083 1120200662 /nfs/dbraw/zinc/20/06/62/1120200662.db2.gz RJOPWMABQKTHFS-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3CCCCC3)C2)c1 ZINC001032207329 1120200729 /nfs/dbraw/zinc/20/07/29/1120200729.db2.gz NHVRAEVURSFPLI-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001032206179 1120200740 /nfs/dbraw/zinc/20/07/40/1120200740.db2.gz UAXRREGFTFNINF-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001032207315 1120201506 /nfs/dbraw/zinc/20/15/06/1120201506.db2.gz MLSUSQHXXUQFIO-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC(CC)C[NH+]1CC(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001032207449 1120204310 /nfs/dbraw/zinc/20/43/10/1120204310.db2.gz RQAYHNGPBLTPDC-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001409925539 1120395923 /nfs/dbraw/zinc/39/59/23/1120395923.db2.gz OISRXAPUIRADRD-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028182 1120518415 /nfs/dbraw/zinc/51/84/15/1120518415.db2.gz FJRAYKZSHPQCTE-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC000945028182 1120518418 /nfs/dbraw/zinc/51/84/18/1120518418.db2.gz FJRAYKZSHPQCTE-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089871 1120559871 /nfs/dbraw/zinc/55/98/71/1120559871.db2.gz IODYJJXHFJSWLC-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089871 1120559875 /nfs/dbraw/zinc/55/98/75/1120559875.db2.gz IODYJJXHFJSWLC-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945093478 1120570381 /nfs/dbraw/zinc/57/03/81/1120570381.db2.gz SPEZVTZSVRDODC-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945093478 1120570383 /nfs/dbraw/zinc/57/03/83/1120570383.db2.gz SPEZVTZSVRDODC-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 ZINC001168529347 1120624766 /nfs/dbraw/zinc/62/47/66/1120624766.db2.gz PUHFZJKTBNKLIK-GRYCIOLGSA-N 1 3 339.402 2.501 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 ZINC001168529352 1120652957 /nfs/dbraw/zinc/65/29/57/1120652957.db2.gz PUHFZJKTBNKLIK-UTUOFQBUSA-N 1 3 339.402 2.501 20 0 EFADHO C[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051239853 214084721 /nfs/dbraw/zinc/08/47/21/214084721.db2.gz VQPINIXJMFWZFS-MRXNPFEDSA-N 1 3 344.503 2.605 20 0 EFADHO C[NH+](C)CCOCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000311551419 282108730 /nfs/dbraw/zinc/10/87/30/282108730.db2.gz LUROVAKMDBVXGA-OAHLLOKOSA-N 1 3 327.266 2.604 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173946678 231076962 /nfs/dbraw/zinc/07/69/62/231076962.db2.gz HXSLWWNUEFGXPP-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000173946678 231076965 /nfs/dbraw/zinc/07/69/65/231076965.db2.gz HXSLWWNUEFGXPP-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 ZINC000056057549 214355577 /nfs/dbraw/zinc/35/55/77/214355577.db2.gz OCKQCHZFVJDQFV-UHFFFAOYSA-N 1 3 347.503 2.573 20 0 EFADHO CC[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000168571778 529441068 /nfs/dbraw/zinc/44/10/68/529441068.db2.gz VVCAJOZQVCCVKU-IBGZPJMESA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000129875179 293146245 /nfs/dbraw/zinc/14/62/45/293146245.db2.gz XDUYCAJSJJGKDH-WFASDCNBSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCOc1cccc(Br)c1 ZINC000129875179 293146247 /nfs/dbraw/zinc/14/62/47/293146247.db2.gz XDUYCAJSJJGKDH-WFASDCNBSA-N 1 3 327.266 2.758 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1 ZINC000189775088 529903755 /nfs/dbraw/zinc/90/37/55/529903755.db2.gz IIFNTHKRUOFNFS-UHFFFAOYSA-N 1 3 327.875 2.937 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(OC(F)F)c1 ZINC000180941573 529903766 /nfs/dbraw/zinc/90/37/66/529903766.db2.gz FSAUKOMRGDPXGA-UHFFFAOYSA-N 1 3 341.446 2.746 20 0 EFADHO CCC1(C)CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354838062 282345556 /nfs/dbraw/zinc/34/55/56/282345556.db2.gz BTJQCKCDGBTHRB-GOSISDBHSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000066187835 215021718 /nfs/dbraw/zinc/02/17/18/215021718.db2.gz UNKZUXOXDCPYJQ-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO Cc1ccc(C)c(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000102753106 219227004 /nfs/dbraw/zinc/22/70/04/219227004.db2.gz WKCCMBMBFAXHQG-UHFFFAOYSA-N 1 3 343.515 2.521 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000067452979 215148020 /nfs/dbraw/zinc/14/80/20/215148020.db2.gz CAULWRDCDKFVDR-HZPDHXFCSA-N 1 3 336.476 2.683 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000104199197 219359199 /nfs/dbraw/zinc/35/91/99/219359199.db2.gz NHEXEWCDIDWYKE-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376669143 282700775 /nfs/dbraw/zinc/70/07/75/282700775.db2.gz BITGWNSTAOMDBE-QUCCMNQESA-N 1 3 328.504 2.681 20 0 EFADHO CN(C(=O)[C@@]1(C)CCCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000181001765 234058761 /nfs/dbraw/zinc/05/87/61/234058761.db2.gz OWLZFHGGMFAOGL-HXUWFJFHSA-N 1 3 329.488 2.642 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCCc2sccc21)N1CC[NH2+]CC1 ZINC000423400900 282914233 /nfs/dbraw/zinc/91/42/33/282914233.db2.gz XIYHKCUSLANXBJ-OCCSQVGLSA-N 1 3 333.423 2.551 20 0 EFADHO C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000351756414 295884077 /nfs/dbraw/zinc/88/40/77/295884077.db2.gz AAJUQWIIWFCGQR-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347513903 291114144 /nfs/dbraw/zinc/11/41/44/291114144.db2.gz ZTNFZEMGMFFBMG-GJZGRUSLSA-N 1 3 329.488 2.776 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000347900493 283222269 /nfs/dbraw/zinc/22/22/69/283222269.db2.gz HSAJPYSGOFZPMN-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CN(C)CC1(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CCCC1 ZINC000187361128 236189611 /nfs/dbraw/zinc/18/96/11/236189611.db2.gz MPNZELSFIJNLAP-UHFFFAOYSA-N 1 3 329.488 2.807 20 0 EFADHO C[C@H]([NH2+]CC1(N)CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423179313 299282447 /nfs/dbraw/zinc/28/24/47/299282447.db2.gz LXHMEAYOWIZUFW-HKUYNNGSSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCN2CCCCC2)C1 ZINC000072020119 215995033 /nfs/dbraw/zinc/99/50/33/215995033.db2.gz DALHUEPIOFWIMD-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267204545 299291511 /nfs/dbraw/zinc/29/15/11/299291511.db2.gz GLDUDMMRZIZEKO-ICSRJNTNSA-N 1 3 331.504 2.524 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000095968940 299297005 /nfs/dbraw/zinc/29/70/05/299297005.db2.gz FUZNUYUTHJJFRJ-INIZCTEOSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423100079 296000401 /nfs/dbraw/zinc/00/04/01/296000401.db2.gz BJXJLMWVMZJWSN-HOTGVXAUSA-N 1 3 343.471 2.573 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000449853682 296009993 /nfs/dbraw/zinc/00/99/93/296009993.db2.gz WICHHTJBUSBCCX-MOPGFXCFSA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000449853682 296009994 /nfs/dbraw/zinc/00/99/94/296009994.db2.gz WICHHTJBUSBCCX-MOPGFXCFSA-N 1 3 333.520 2.870 20 0 EFADHO C[C@@H](C(=O)NC1(C)CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000193363050 240098707 /nfs/dbraw/zinc/09/87/07/240098707.db2.gz ALIVLFFQWYXETH-KRWDZBQOSA-N 1 3 343.515 2.588 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000193979693 240387720 /nfs/dbraw/zinc/38/77/20/240387720.db2.gz YJBZRKFCCYXNHH-CEXWTWQISA-N 1 3 330.472 2.674 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000194216619 240482777 /nfs/dbraw/zinc/48/27/77/240482777.db2.gz BVBBSMFXIQLCHZ-HXUWFJFHSA-N 1 3 329.488 2.606 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236644605 242304310 /nfs/dbraw/zinc/30/43/10/242304310.db2.gz OPGANKKOGVAWCR-AEFFLSMTSA-N 1 3 335.467 2.527 20 0 EFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236685210 242319916 /nfs/dbraw/zinc/31/99/16/242319916.db2.gz HRFCKXDOAMTBJC-XLIONFOSSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000236707803 242326942 /nfs/dbraw/zinc/32/69/42/242326942.db2.gz FNPWBXOYLMUOAM-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236707803 242326947 /nfs/dbraw/zinc/32/69/47/242326947.db2.gz FNPWBXOYLMUOAM-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000236828282 242372322 /nfs/dbraw/zinc/37/23/22/242372322.db2.gz FMCANCIFVIXVQJ-ROUUACIJSA-N 1 3 329.488 2.575 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)c1ccsc1 ZINC000236833655 242376539 /nfs/dbraw/zinc/37/65/39/242376539.db2.gz LYAPKRFNXNJDQQ-MSOLQXFVSA-N 1 3 345.512 2.817 20 0 EFADHO CCC[C@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000236849514 242382621 /nfs/dbraw/zinc/38/26/21/242382621.db2.gz HJNRIZCJIQDHEU-KRWDZBQOSA-N 1 3 337.895 2.796 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000236883368 242393496 /nfs/dbraw/zinc/39/34/96/242393496.db2.gz LAGHZMGSBNSUOO-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236887111 242395722 /nfs/dbraw/zinc/39/57/22/242395722.db2.gz ZJXQYHGIVNTFMD-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000236887111 242395727 /nfs/dbraw/zinc/39/57/27/242395727.db2.gz ZJXQYHGIVNTFMD-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411915798 243027248 /nfs/dbraw/zinc/02/72/48/243027248.db2.gz WYMAURWJYBAMGG-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO OCC1([C@@H]([NH2+]CCCN2CCCCC2)c2ccccc2)CCOCC1 ZINC000412015100 243071053 /nfs/dbraw/zinc/07/10/53/243071053.db2.gz ZDZNGFHOMIYMDJ-FQEVSTJZSA-N 1 3 346.515 2.982 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000412075540 243122369 /nfs/dbraw/zinc/12/23/69/243122369.db2.gz NDQKKRHHGKTSTA-MSOLQXFVSA-N 1 3 339.568 2.974 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000246309869 243228609 /nfs/dbraw/zinc/22/86/09/243228609.db2.gz MFTPNXNQYUCKDJ-VQIMIIECSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000246309869 243228611 /nfs/dbraw/zinc/22/86/11/243228611.db2.gz MFTPNXNQYUCKDJ-VQIMIIECSA-N 1 3 346.519 2.620 20 0 EFADHO O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246662626 243291784 /nfs/dbraw/zinc/29/17/84/243291784.db2.gz DNFSODBIUWNPES-AEFFLSMTSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1cc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)ccc1CN(C)C ZINC000412420096 243305461 /nfs/dbraw/zinc/30/54/61/243305461.db2.gz QRTBOYKGNDNLLM-IBGZPJMESA-N 1 3 347.503 2.788 20 0 EFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412330740 243273847 /nfs/dbraw/zinc/27/38/47/243273847.db2.gz AKYRMIPNRTWJAX-KRXQYRFLSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412330740 243273855 /nfs/dbraw/zinc/27/38/55/243273855.db2.gz AKYRMIPNRTWJAX-KRXQYRFLSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000246564539 243275818 /nfs/dbraw/zinc/27/58/18/243275818.db2.gz UNGKLGFLTWOWHA-QRQLOZEOSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246889118 243331627 /nfs/dbraw/zinc/33/16/27/243331627.db2.gz IUDFCDWDVVNEHY-SZMVWBNQSA-N 1 3 347.478 2.624 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000414197120 244041619 /nfs/dbraw/zinc/04/16/19/244041619.db2.gz PGCSHCRSIXVDLA-IBGZPJMESA-N 1 3 349.494 2.663 20 0 EFADHO C[C@@H](CC1CC1)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414326349 244091155 /nfs/dbraw/zinc/09/11/55/244091155.db2.gz NNNNTEWOEUOBSL-HNNXBMFYSA-N 1 3 329.488 2.662 20 0 EFADHO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414332555 244093433 /nfs/dbraw/zinc/09/34/33/244093433.db2.gz DZMHXBWSQMLCSA-MJGOQNOKSA-N 1 3 329.488 2.662 20 0 EFADHO CC1CC[NH+](C2CCC(NCc3cnc(N(C)C)n3C)CC2)CC1 ZINC000414365152 244110884 /nfs/dbraw/zinc/11/08/84/244110884.db2.gz KATSVCKYBOFWDI-UHFFFAOYSA-N 1 3 333.524 2.619 20 0 EFADHO OC1(C[NH2+]C/C=C/c2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000414526539 244210240 /nfs/dbraw/zinc/21/02/40/244210240.db2.gz OTUODGIJHGPFGZ-QPJJXVBHSA-N 1 3 337.467 2.712 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)CC1 ZINC000414550296 244227768 /nfs/dbraw/zinc/22/77/68/244227768.db2.gz CRLYTQIYTBMWEY-KRWDZBQOSA-N 1 3 341.499 2.830 20 0 EFADHO [NH3+]Cc1ccc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000414649891 244273891 /nfs/dbraw/zinc/27/38/91/244273891.db2.gz TXTJXPFKPMATRF-INIZCTEOSA-N 1 3 328.416 2.511 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000414689350 244292489 /nfs/dbraw/zinc/29/24/89/244292489.db2.gz KVFSWLOXWMNUNC-NVXWUHKLSA-N 1 3 349.906 2.544 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000414689350 244292494 /nfs/dbraw/zinc/29/24/94/244292494.db2.gz KVFSWLOXWMNUNC-NVXWUHKLSA-N 1 3 349.906 2.544 20 0 EFADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717156 244303952 /nfs/dbraw/zinc/30/39/52/244303952.db2.gz XUNMHERQNMAFHM-UXHICEINSA-N 1 3 345.531 2.835 20 0 EFADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717156 244303956 /nfs/dbraw/zinc/30/39/56/244303956.db2.gz XUNMHERQNMAFHM-UXHICEINSA-N 1 3 345.531 2.835 20 0 EFADHO C[C@H]1C[C@@H](CN(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414739294 244318237 /nfs/dbraw/zinc/31/82/37/244318237.db2.gz CDDAOWWCFPGMSL-RYUDHWBXSA-N 1 3 347.322 2.693 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000414741267 244319207 /nfs/dbraw/zinc/31/92/07/244319207.db2.gz KNLZSJQCPXEAHI-HNNXBMFYSA-N 1 3 349.906 2.717 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747703 244324454 /nfs/dbraw/zinc/32/44/54/244324454.db2.gz SMJAIGXMPLPDFS-HOJAQTOUSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414747703 244324459 /nfs/dbraw/zinc/32/44/59/244324459.db2.gz SMJAIGXMPLPDFS-HOJAQTOUSA-N 1 3 343.515 2.760 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000414807847 244361531 /nfs/dbraw/zinc/36/15/31/244361531.db2.gz RPLOCTYAGXLUCF-WCQYABFASA-N 1 3 341.249 2.785 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c1 ZINC000414810605 244363924 /nfs/dbraw/zinc/36/39/24/244363924.db2.gz VJXODBHKIQTECO-LZWOXQAQSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000414810605 244363930 /nfs/dbraw/zinc/36/39/30/244363930.db2.gz VJXODBHKIQTECO-LZWOXQAQSA-N 1 3 349.475 2.528 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@H](C[NH3+])C1CC1 ZINC000414814080 244363998 /nfs/dbraw/zinc/36/39/98/244363998.db2.gz YYCFABCDAYAXGU-QMTHXVAHSA-N 1 3 329.366 2.749 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414847478 244369577 /nfs/dbraw/zinc/36/95/77/244369577.db2.gz VWKJVZJEMYSJPV-RYUDHWBXSA-N 1 3 342.281 2.611 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[C@H]1CCCNC1 ZINC000414854359 244372065 /nfs/dbraw/zinc/37/20/65/244372065.db2.gz LTYKNCBVQDVUSG-CABCVRRESA-N 1 3 349.906 2.922 20 0 EFADHO NC[C@@H]1C[N@H+](CCCCCOc2ccccc2)CC12CCOCC2 ZINC000414777256 244343284 /nfs/dbraw/zinc/34/32/84/244343284.db2.gz HVTDCOPTLKBNKK-GOSISDBHSA-N 1 3 332.488 2.923 20 0 EFADHO NC[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC12CCOCC2 ZINC000414777256 244343290 /nfs/dbraw/zinc/34/32/90/244343290.db2.gz HVTDCOPTLKBNKK-GOSISDBHSA-N 1 3 332.488 2.923 20 0 EFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779490 244344445 /nfs/dbraw/zinc/34/44/45/244344445.db2.gz KDSWWUOTACLELL-SJORKVTESA-N 1 3 340.471 2.702 20 0 EFADHO Oc1ccc(Br)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783228 244348920 /nfs/dbraw/zinc/34/89/20/244348920.db2.gz PQUJKLFTPCRGQD-STQMWFEESA-N 1 3 339.277 2.976 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414793509 244356411 /nfs/dbraw/zinc/35/64/11/244356411.db2.gz UMSVZMQRJZLHNC-GOSISDBHSA-N 1 3 340.471 2.572 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OCC(F)F)cc2)CC1 ZINC000414792830 244357044 /nfs/dbraw/zinc/35/70/44/244357044.db2.gz SUBNJXGAZWQOJZ-AEFFLSMTSA-N 1 3 340.414 2.659 20 0 EFADHO CC(C)[C@@H](N)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414793666 244357405 /nfs/dbraw/zinc/35/74/05/244357405.db2.gz LBOBSKWQCNTCFQ-AWEZNQCLSA-N 1 3 326.366 2.964 20 0 EFADHO N[C@@H](C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414881412 244386205 /nfs/dbraw/zinc/38/62/05/244386205.db2.gz ALBRGMZNJBCMPL-KRWDZBQOSA-N 1 3 325.859 2.770 20 0 EFADHO [NH3+][C@@H](CNC1CCN(Cc2c(F)cccc2Cl)CC1)C1CC1 ZINC000414881412 244386209 /nfs/dbraw/zinc/38/62/09/244386209.db2.gz ALBRGMZNJBCMPL-KRWDZBQOSA-N 1 3 325.859 2.770 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414945395 244396907 /nfs/dbraw/zinc/39/69/07/244396907.db2.gz IGDGPRCLPXHRKA-JKIFEVAISA-N 1 3 337.895 2.807 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414945395 244396915 /nfs/dbraw/zinc/39/69/15/244396915.db2.gz IGDGPRCLPXHRKA-JKIFEVAISA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417104503 245024215 /nfs/dbraw/zinc/02/42/15/245024215.db2.gz FCGSGKKNAZLASY-YTQUADARSA-N 1 3 344.503 2.562 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245867 245061796 /nfs/dbraw/zinc/06/17/96/245061796.db2.gz ZJLRQQDSZXTIEM-VQIMIIECSA-N 1 3 346.519 2.841 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000417245867 245061800 /nfs/dbraw/zinc/06/18/00/245061800.db2.gz ZJLRQQDSZXTIEM-VQIMIIECSA-N 1 3 346.519 2.841 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000417216410 245049422 /nfs/dbraw/zinc/04/94/22/245049422.db2.gz BRTRXKUVTWFPJS-ZHALLVOQSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417676752 245086972 /nfs/dbraw/zinc/08/69/72/245086972.db2.gz DUIXUTVONKUNTI-LPHOPBHVSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000417704797 245088049 /nfs/dbraw/zinc/08/80/49/245088049.db2.gz MVQBRSCDKPIPEM-OAHLLOKOSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](N[C@@H]1CCN(CC(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417389613 245077762 /nfs/dbraw/zinc/07/77/62/245077762.db2.gz PTZKQEKXYMWDLF-CGTJXYLNSA-N 1 3 337.458 2.826 20 0 EFADHO C[C@H](N[C@@H]1CCN(CC(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417389613 245077767 /nfs/dbraw/zinc/07/77/67/245077767.db2.gz PTZKQEKXYMWDLF-CGTJXYLNSA-N 1 3 337.458 2.826 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418419823 245151296 /nfs/dbraw/zinc/15/12/96/245151296.db2.gz YDZVEVAGDVUOEG-OALUTQOASA-N 1 3 346.519 2.586 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330898 245123269 /nfs/dbraw/zinc/12/32/69/245123269.db2.gz PNWRJDJHBVLMSZ-LPHOPBHVSA-N 1 3 346.519 2.793 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330898 245123277 /nfs/dbraw/zinc/12/32/77/245123277.db2.gz PNWRJDJHBVLMSZ-LPHOPBHVSA-N 1 3 346.519 2.793 20 0 EFADHO C[C@H](NC(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000418335529 245124957 /nfs/dbraw/zinc/12/49/57/245124957.db2.gz HKTKNFCYFZELGR-GDIGMMSISA-N 1 3 340.471 2.527 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000418338705 245128398 /nfs/dbraw/zinc/12/83/98/245128398.db2.gz ZPUBMURVXLHSPI-GOSISDBHSA-N 1 3 346.519 2.841 20 0 EFADHO NC[C@H](NC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000418344769 245129958 /nfs/dbraw/zinc/12/99/58/245129958.db2.gz KWEJDUMSHQCRGZ-KXBFYZLASA-N 1 3 340.471 2.529 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000418350134 245130951 /nfs/dbraw/zinc/13/09/51/245130951.db2.gz KVWGYOVHQJTGDG-QZTJIDSGSA-N 1 3 332.492 2.641 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418353280 245133114 /nfs/dbraw/zinc/13/31/14/245133114.db2.gz NDLAXQYQLMUELD-RBUKOAKNSA-N 1 3 346.519 2.936 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418353283 245133492 /nfs/dbraw/zinc/13/34/92/245133492.db2.gz NDLAXQYQLMUELD-RTBURBONSA-N 1 3 346.519 2.936 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000418362727 245136502 /nfs/dbraw/zinc/13/65/02/245136502.db2.gz VBUUPFVQTGSHLG-SFHVURJKSA-N 1 3 334.508 2.793 20 0 EFADHO CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418387413 245141680 /nfs/dbraw/zinc/14/16/80/245141680.db2.gz OGIATYOWALDSBR-ACBHZAAOSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@]1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000418496124 245176177 /nfs/dbraw/zinc/17/61/77/245176177.db2.gz CUAXDLGOINRUGU-ICSRJNTNSA-N 1 3 340.471 2.529 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502333 245178180 /nfs/dbraw/zinc/17/81/80/245178180.db2.gz VAEKCKILLBIRCL-AUUYWEPGSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000418501758 245178213 /nfs/dbraw/zinc/17/82/13/245178213.db2.gz SGQUXOLZGPMIKA-CCKFTAQKSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418524996 245183095 /nfs/dbraw/zinc/18/30/95/245183095.db2.gz NSWAQPVCISOOMT-QGZVFWFLSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418560560 245194558 /nfs/dbraw/zinc/19/45/58/245194558.db2.gz XBSUTILSVFMWIQ-UHFFFAOYSA-N 1 3 346.519 2.799 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418536791 245185970 /nfs/dbraw/zinc/18/59/70/245185970.db2.gz JBRPCBOWSCVRRR-IBGZPJMESA-N 1 3 338.540 2.530 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000262872011 245224339 /nfs/dbraw/zinc/22/43/39/245224339.db2.gz MKSHCMUYIRAMFW-MBOZVWFJSA-N 1 3 343.515 2.586 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000418653882 245227437 /nfs/dbraw/zinc/22/74/37/245227437.db2.gz PHHWXTLQFOXVQE-SZVBFZGTSA-N 1 3 344.503 2.517 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418657198 245230069 /nfs/dbraw/zinc/23/00/69/245230069.db2.gz UFMGNYJGPHDGMZ-IEBWSBKVSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418657198 245230073 /nfs/dbraw/zinc/23/00/73/245230073.db2.gz UFMGNYJGPHDGMZ-IEBWSBKVSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000418661084 245234688 /nfs/dbraw/zinc/23/46/88/245234688.db2.gz ZVVCSXNMLUAGCC-KFKAGJAMSA-N 1 3 344.503 2.517 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418687144 245246541 /nfs/dbraw/zinc/24/65/41/245246541.db2.gz CYJMJHLDUQTEOI-ROUUACIJSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420303289 284266305 /nfs/dbraw/zinc/26/63/05/284266305.db2.gz CQXZQXNDGWSTKH-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000420303289 284266308 /nfs/dbraw/zinc/26/63/08/284266308.db2.gz CQXZQXNDGWSTKH-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420303289 284266312 /nfs/dbraw/zinc/26/63/12/284266312.db2.gz CQXZQXNDGWSTKH-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000177865680 284342544 /nfs/dbraw/zinc/34/25/44/284342544.db2.gz IBYFWKFJWSTRHI-HKUYNNGSSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000177865680 284342546 /nfs/dbraw/zinc/34/25/46/284342546.db2.gz IBYFWKFJWSTRHI-HKUYNNGSSA-N 1 3 346.519 2.581 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCOC)CCN(C)C)cc1 ZINC000264098038 246063029 /nfs/dbraw/zinc/06/30/29/246063029.db2.gz APKMEXKAPVSLFF-UHFFFAOYSA-N 1 3 349.519 2.569 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCOC)CCN(C)C)cc1 ZINC000264098038 246063036 /nfs/dbraw/zinc/06/30/36/246063036.db2.gz APKMEXKAPVSLFF-UHFFFAOYSA-N 1 3 349.519 2.569 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)N(C)C)cc1 ZINC000422143883 246270077 /nfs/dbraw/zinc/27/00/77/246270077.db2.gz QHMZTLMZOFDUOE-RTBURBONSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)N(C)C)cc1 ZINC000422143883 246270082 /nfs/dbraw/zinc/27/00/82/246270082.db2.gz QHMZTLMZOFDUOE-RTBURBONSA-N 1 3 346.519 2.587 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cc2)no1 ZINC000422562277 246385909 /nfs/dbraw/zinc/38/59/09/246385909.db2.gz PUIXYXYCHHFOBB-CPUCHLNUSA-N 1 3 344.459 2.762 20 0 EFADHO C[C@@H]1C[C@H](C)N(Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C[NH3+] ZINC000422565360 246386745 /nfs/dbraw/zinc/38/67/45/246386745.db2.gz YSGWSZCPFDKFIK-RYRKJORJSA-N 1 3 342.487 2.804 20 0 EFADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1C ZINC000422562929 246387133 /nfs/dbraw/zinc/38/71/33/246387133.db2.gz RBIZREBKZDBKDU-QBIMZIAESA-N 1 3 348.487 2.660 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422730474 246433888 /nfs/dbraw/zinc/43/38/88/246433888.db2.gz JTDUVJZNFTWMJP-MJGOQNOKSA-N 1 3 338.455 2.941 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079012 284518738 /nfs/dbraw/zinc/51/87/38/284518738.db2.gz KXPRTSURQOEINL-VQTJNVASSA-N 1 3 343.515 2.918 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000427283057 247332827 /nfs/dbraw/zinc/33/28/27/247332827.db2.gz VRSPYPRCVCHOGT-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427370304 247343046 /nfs/dbraw/zinc/34/30/46/247343046.db2.gz QIVPTFVPFUDPPP-PKOBYXMFSA-N 1 3 331.504 2.966 20 0 EFADHO O=C(C[C@@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332405 247339517 /nfs/dbraw/zinc/33/95/17/247339517.db2.gz UEBXAZSPCVUYDQ-PZJWPPBQSA-N 1 3 341.499 2.501 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000427333105 247339600 /nfs/dbraw/zinc/33/96/00/247339600.db2.gz XFHFGIRYEBOVAK-SJORKVTESA-N 1 3 349.544 2.856 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000427333413 247339777 /nfs/dbraw/zinc/33/97/77/247339777.db2.gz YXXPTCQQNVTZHP-MRXNPFEDSA-N 1 3 349.544 2.856 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(OCCN(C)C)c1)C1CC[NH2+]CC1 ZINC000430759637 247833666 /nfs/dbraw/zinc/83/36/66/247833666.db2.gz YTJJZKYPZYRWRT-HNNXBMFYSA-N 1 3 333.476 2.591 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CC23CCOCC3)CC1 ZINC000431649195 247926839 /nfs/dbraw/zinc/92/68/39/247926839.db2.gz OJQLQOBASKLANL-IBGZPJMESA-N 1 3 343.515 2.735 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000434358604 248146490 /nfs/dbraw/zinc/14/64/90/248146490.db2.gz RBZGYFUADORKRM-SFHVURJKSA-N 1 3 336.524 2.615 20 0 EFADHO CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435389552 248235037 /nfs/dbraw/zinc/23/50/37/248235037.db2.gz LLZMHTQSPHKSLI-RDJZCZTQSA-N 1 3 334.460 2.591 20 0 EFADHO O=C(C[C@H]1CSCCN1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000434874468 248194202 /nfs/dbraw/zinc/19/42/02/248194202.db2.gz POIXTMMUONPEFG-SFHVURJKSA-N 1 3 347.528 2.749 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266344754 248256946 /nfs/dbraw/zinc/25/69/46/248256946.db2.gz ZYBIKZJYQMUFPX-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)CC(C)C ZINC000441187091 250004681 /nfs/dbraw/zinc/00/46/81/250004681.db2.gz FNZALVLTXHWKPL-BQFCYCMXSA-N 1 3 338.540 2.667 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442754284 250112699 /nfs/dbraw/zinc/11/26/99/250112699.db2.gz HZAGAULMYDORAN-KGLIPLIRSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767079 250113331 /nfs/dbraw/zinc/11/33/31/250113331.db2.gz LZFGPXVWZNPKII-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767079 250113336 /nfs/dbraw/zinc/11/33/36/250113336.db2.gz LZFGPXVWZNPKII-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767079 250113338 /nfs/dbraw/zinc/11/33/38/250113338.db2.gz LZFGPXVWZNPKII-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000443059835 250155030 /nfs/dbraw/zinc/15/50/30/250155030.db2.gz NKCQIJBAXWEULU-SFHVURJKSA-N 1 3 343.515 2.675 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443061702 250155606 /nfs/dbraw/zinc/15/56/06/250155606.db2.gz SHNVDMRKASHDBH-BEFAXECRSA-N 1 3 335.467 2.700 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057874 250155731 /nfs/dbraw/zinc/15/57/31/250155731.db2.gz IMLMSQWPCJHDDN-STQMWFEESA-N 1 3 341.402 2.676 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443061663 250155831 /nfs/dbraw/zinc/15/58/31/250155831.db2.gz SANZYHSNMMVQAU-IAGOWNOFSA-N 1 3 343.515 2.803 20 0 EFADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@H](CC[NH3+])C1 ZINC000443068863 250156916 /nfs/dbraw/zinc/15/69/16/250156916.db2.gz ISPZVMWGQQWFEF-LSDHHAIUSA-N 1 3 326.444 2.623 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)[C@H](C)c1ccc(F)cc1 ZINC000443071997 250157118 /nfs/dbraw/zinc/15/71/18/250157118.db2.gz NGCISCUDMODHKV-CVEARBPZSA-N 1 3 335.467 2.796 20 0 EFADHO CCOc1ccccc1[C@@H](CC)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443064479 250157443 /nfs/dbraw/zinc/15/74/43/250157443.db2.gz YIMLSUOBKBXEHR-FUHWJXTLSA-N 1 3 347.503 2.713 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)[C@@H](C)c1ccc(F)cc1 ZINC000443071999 250157472 /nfs/dbraw/zinc/15/74/72/250157472.db2.gz NGCISCUDMODHKV-HOTGVXAUSA-N 1 3 335.467 2.796 20 0 EFADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077109 250159251 /nfs/dbraw/zinc/15/92/51/250159251.db2.gz UBWPRMNZEFSMPT-HKUYNNGSSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000443646815 250216178 /nfs/dbraw/zinc/21/61/78/250216178.db2.gz DMUPUGDLOUQTLN-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cc(C[N@@H+](C)CC[C@H]2CCCCN2C)ccc1-n1cncn1 ZINC000093659911 218241196 /nfs/dbraw/zinc/24/11/96/218241196.db2.gz QNBQTSJSRDDHJL-GOSISDBHSA-N 1 3 327.476 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)CC[C@H]2CCCCN2C)ccc1-n1cncn1 ZINC000093659911 218241199 /nfs/dbraw/zinc/24/11/99/218241199.db2.gz QNBQTSJSRDDHJL-GOSISDBHSA-N 1 3 327.476 2.882 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000444615529 250318138 /nfs/dbraw/zinc/31/81/38/250318138.db2.gz AAVWRQSJDDFACE-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3ccccc3C2)C[C@@H]1C ZINC000444615529 250318141 /nfs/dbraw/zinc/31/81/41/250318141.db2.gz AAVWRQSJDDFACE-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NCCN2CCCC(C)(C)C2)CC1 ZINC000445017059 250375166 /nfs/dbraw/zinc/37/51/66/250375166.db2.gz VJEGJAXLEVNBJR-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000446617361 250514968 /nfs/dbraw/zinc/51/49/68/250514968.db2.gz LJOMUTZMZZMXBI-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO COCC1(C)CCN(CCC[NH+]2CCC(C)(COC)CC2)CC1 ZINC000358752681 284809744 /nfs/dbraw/zinc/80/97/44/284809744.db2.gz QGMXDMKTJUOECV-UHFFFAOYSA-N 1 3 326.525 2.874 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000449147405 250932007 /nfs/dbraw/zinc/93/20/07/250932007.db2.gz GPSDCSURVUXECU-OAHLLOKOSA-N 1 3 325.522 2.663 20 0 EFADHO NC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000449498192 251044527 /nfs/dbraw/zinc/04/45/27/251044527.db2.gz SALYGWMSRFUMCM-WDSOQIARSA-N 1 3 325.456 2.863 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449656438 251098546 /nfs/dbraw/zinc/09/85/46/251098546.db2.gz KWCRXNQIGMJTBQ-SQNIBIBYSA-N 1 3 334.508 2.843 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)cc1)C1CC1 ZINC000449731773 251134520 /nfs/dbraw/zinc/13/45/20/251134520.db2.gz XIGNHYALEOTZJQ-OAHLLOKOSA-N 1 3 343.393 2.680 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1)C1CC1 ZINC000449705584 251124067 /nfs/dbraw/zinc/12/40/67/251124067.db2.gz KXBITHALFGDXCA-GOSISDBHSA-N 1 3 329.488 2.789 20 0 EFADHO Cn1nncc1CNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000267538609 251137720 /nfs/dbraw/zinc/13/77/20/251137720.db2.gz WXRDANMFFHDMRG-UHFFFAOYSA-N 1 3 341.503 2.640 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@H](CCCO)C1)C1CCN(C)CC1 ZINC000449794103 251158682 /nfs/dbraw/zinc/15/86/82/251158682.db2.gz ZQCKWUVMUXGCRR-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@H](CCCO)C1)C1CCN(C)CC1 ZINC000449794103 251158685 /nfs/dbraw/zinc/15/86/85/251158685.db2.gz ZQCKWUVMUXGCRR-SFHVURJKSA-N 1 3 345.531 2.811 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450019244 251233505 /nfs/dbraw/zinc/23/35/05/251233505.db2.gz UNUZVSXTFCXKFP-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000450019244 251233510 /nfs/dbraw/zinc/23/35/10/251233510.db2.gz UNUZVSXTFCXKFP-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1cc(N2CCN(CCCOCC(F)(F)F)CC2)cc[nH+]1 ZINC000450274713 251324166 /nfs/dbraw/zinc/32/41/66/251324166.db2.gz KRISEXJPHKQMCH-UHFFFAOYSA-N 1 3 331.382 2.735 20 0 EFADHO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000450315448 251342357 /nfs/dbraw/zinc/34/23/57/251342357.db2.gz DWJFRVUTXDWXKI-HXUWFJFHSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(CCN2CCOCC2)CC1 ZINC000450315448 251342360 /nfs/dbraw/zinc/34/23/60/251342360.db2.gz DWJFRVUTXDWXKI-HXUWFJFHSA-N 1 3 337.552 2.684 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CCN2CCOCC2)CC1 ZINC000450315448 251342364 /nfs/dbraw/zinc/34/23/64/251342364.db2.gz DWJFRVUTXDWXKI-HXUWFJFHSA-N 1 3 337.552 2.684 20 0 EFADHO CCc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc[nH+]1 ZINC000450454443 251395112 /nfs/dbraw/zinc/39/51/12/251395112.db2.gz RUYJMYFAEDOFNE-HXUWFJFHSA-N 1 3 325.456 2.717 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CN1C1CC1 ZINC000267843002 251398515 /nfs/dbraw/zinc/39/85/15/251398515.db2.gz ACZZODITNALOAV-CRAIPNDOSA-N 1 3 327.472 2.637 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268536134 252002875 /nfs/dbraw/zinc/00/28/75/252002875.db2.gz JRHYSYCUZVMPAH-KRWDZBQOSA-N 1 3 345.487 2.714 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268536134 252002880 /nfs/dbraw/zinc/00/28/80/252002880.db2.gz JRHYSYCUZVMPAH-KRWDZBQOSA-N 1 3 345.487 2.714 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000453468396 252043405 /nfs/dbraw/zinc/04/34/05/252043405.db2.gz ZECYVYYXASSFML-MTFMMBMASA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268760473 252209594 /nfs/dbraw/zinc/20/95/94/252209594.db2.gz NKZKOEHOFRUJBO-FUHWJXTLSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268760473 252209598 /nfs/dbraw/zinc/20/95/98/252209598.db2.gz NKZKOEHOFRUJBO-FUHWJXTLSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)N(C)C ZINC000454410242 252253614 /nfs/dbraw/zinc/25/36/14/252253614.db2.gz PHSRHMWJDLNAIQ-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)N(C)C)cc1 ZINC000454451876 252267254 /nfs/dbraw/zinc/26/72/54/252267254.db2.gz JFYYNLVNYGEGAR-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+](C)C2CC2)N(C)C)cc1 ZINC000454451876 252267259 /nfs/dbraw/zinc/26/72/59/252267259.db2.gz JFYYNLVNYGEGAR-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268809317 252260792 /nfs/dbraw/zinc/26/07/92/252260792.db2.gz NHJHXQVWQXFNHT-GHTZIAJQSA-N 1 3 345.531 2.740 20 0 EFADHO CCn1cc([C@H](C)[NH2+]CCc2ccc(OCCN(C)C)cc2)cn1 ZINC000268836285 252284088 /nfs/dbraw/zinc/28/40/88/252284088.db2.gz BGJFOFAVSPBYEO-INIZCTEOSA-N 1 3 330.476 2.737 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454502222 252285637 /nfs/dbraw/zinc/28/56/37/252285637.db2.gz SKRYOVRRGMHOAH-GOSISDBHSA-N 1 3 338.540 2.816 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861433 252310361 /nfs/dbraw/zinc/31/03/61/252310361.db2.gz SGKXSBDNOPDSPK-FPOVZHCZSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861433 252310365 /nfs/dbraw/zinc/31/03/65/252310365.db2.gz SGKXSBDNOPDSPK-FPOVZHCZSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000268861433 252310369 /nfs/dbraw/zinc/31/03/69/252310369.db2.gz SGKXSBDNOPDSPK-FPOVZHCZSA-N 1 3 347.547 2.845 20 0 EFADHO COCCC[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268853486 252301182 /nfs/dbraw/zinc/30/11/82/252301182.db2.gz LAWQHAXTMLIQTO-FQEVSTJZSA-N 1 3 347.547 2.989 20 0 EFADHO Cc1nccn1CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268853283 252301952 /nfs/dbraw/zinc/30/19/52/252301952.db2.gz KTSAOGGFQSTUJA-MRXNPFEDSA-N 1 3 330.476 2.873 20 0 EFADHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268877843 252325847 /nfs/dbraw/zinc/32/58/47/252325847.db2.gz QQSUROHUZPRQCC-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000268877843 252325850 /nfs/dbraw/zinc/32/58/50/252325850.db2.gz QQSUROHUZPRQCC-ZWKOTPCHSA-N 1 3 331.504 2.906 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1)C1CC1 ZINC000428776999 285097482 /nfs/dbraw/zinc/09/74/82/285097482.db2.gz GSTFQBITRXBEKT-QGZVFWFLSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000153586774 224126467 /nfs/dbraw/zinc/12/64/67/224126467.db2.gz OYWWCPDUKKKABD-CFVMTHIKSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000153586774 224126469 /nfs/dbraw/zinc/12/64/69/224126469.db2.gz OYWWCPDUKKKABD-CFVMTHIKSA-N 1 3 346.393 2.517 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913787 285229517 /nfs/dbraw/zinc/22/95/17/285229517.db2.gz BNHQATNDJRAMBI-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913787 285229518 /nfs/dbraw/zinc/22/95/18/285229518.db2.gz BNHQATNDJRAMBI-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000337460684 285246905 /nfs/dbraw/zinc/24/69/05/285246905.db2.gz LWIZYXFABQPLJB-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000337460684 285246908 /nfs/dbraw/zinc/24/69/08/285246908.db2.gz LWIZYXFABQPLJB-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCN1CCC[C@@H]1C[N@H+](CCN(C)C)C[C@H](C)CC1CCOCC1 ZINC000349037853 285249933 /nfs/dbraw/zinc/24/99/33/285249933.db2.gz TXXZOPSTRSMUAW-UYAOXDASSA-N 1 3 339.568 2.787 20 0 EFADHO CCN1CCC[C@@H]1C[N@@H+](CCN(C)C)C[C@H](C)CC1CCOCC1 ZINC000349037853 285249934 /nfs/dbraw/zinc/24/99/34/285249934.db2.gz TXXZOPSTRSMUAW-UYAOXDASSA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccsc1 ZINC000348674451 285247895 /nfs/dbraw/zinc/24/78/95/285247895.db2.gz OCBLQIHQTKDTBL-NVXWUHKLSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccsc1 ZINC000348674451 285247896 /nfs/dbraw/zinc/24/78/96/285247896.db2.gz OCBLQIHQTKDTBL-NVXWUHKLSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)c(F)c(C)c1 ZINC000343341736 285248729 /nfs/dbraw/zinc/24/87/29/285248729.db2.gz PCZUXWSFJOVFFL-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(C)c(F)c(C)c1 ZINC000343341736 285248733 /nfs/dbraw/zinc/24/87/33/285248733.db2.gz PCZUXWSFJOVFFL-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO COC[C@@H]1CCCCN(CCC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000369948278 285260173 /nfs/dbraw/zinc/26/01/73/285260173.db2.gz LRWJKSVLMBFNQT-RTBURBONSA-N 1 3 326.525 2.874 20 0 EFADHO COC[C@@H]1CCCCN(CCC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000369948278 285260177 /nfs/dbraw/zinc/26/01/77/285260177.db2.gz LRWJKSVLMBFNQT-RTBURBONSA-N 1 3 326.525 2.874 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000337460683 285280628 /nfs/dbraw/zinc/28/06/28/285280628.db2.gz LWIZYXFABQPLJB-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000337460683 285280630 /nfs/dbraw/zinc/28/06/30/285280630.db2.gz LWIZYXFABQPLJB-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CC(C)C[C@@H](CNC(=O)N(C)CCN(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000468015890 256013598 /nfs/dbraw/zinc/01/35/98/256013598.db2.gz HBXHEGURWLTVMW-MJGOQNOKSA-N 1 3 348.535 2.955 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000118494303 221153743 /nfs/dbraw/zinc/15/37/43/221153743.db2.gz UKONRKLLGXLUBC-OAGGEKHMSA-N 1 3 333.476 2.827 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000092253800 285338511 /nfs/dbraw/zinc/33/85/11/285338511.db2.gz GXNSGVWAPFSWDC-IBGZPJMESA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000092253800 285338513 /nfs/dbraw/zinc/33/85/13/285338513.db2.gz GXNSGVWAPFSWDC-IBGZPJMESA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000345310433 285363610 /nfs/dbraw/zinc/36/36/10/285363610.db2.gz XOGYECMJVVKNBF-VXCLMFOKSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000345310433 285363615 /nfs/dbraw/zinc/36/36/15/285363615.db2.gz XOGYECMJVVKNBF-VXCLMFOKSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000345310433 285363619 /nfs/dbraw/zinc/36/36/19/285363619.db2.gz XOGYECMJVVKNBF-VXCLMFOKSA-N 1 3 345.531 2.767 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@@H]1C ZINC000361766830 285389986 /nfs/dbraw/zinc/38/99/86/285389986.db2.gz UVDBZBBAIKBDGV-MHORFTMASA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@@H]1C ZINC000361766830 285389987 /nfs/dbraw/zinc/38/99/87/285389987.db2.gz UVDBZBBAIKBDGV-MHORFTMASA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129991861 533322177 /nfs/dbraw/zinc/32/21/77/533322177.db2.gz URNSRCCUVKBSTC-IAGOWNOFSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000132056217 533416191 /nfs/dbraw/zinc/41/61/91/533416191.db2.gz AXMPAYLDFLIJHS-XLIONFOSSA-N 1 3 342.483 2.881 20 0 EFADHO COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000180943488 533539587 /nfs/dbraw/zinc/53/95/87/533539587.db2.gz DSBSYKCUMUPMGD-UHFFFAOYSA-N 1 3 339.911 2.806 20 0 EFADHO C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000166566338 533550317 /nfs/dbraw/zinc/55/03/17/533550317.db2.gz OTFDADHUXONBMY-NQERJWCQSA-N 1 3 340.467 2.936 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000182677170 141375225 /nfs/dbraw/zinc/37/52/25/141375225.db2.gz LZIHHCIMHKDMIM-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)NCC(C)C)CC1 ZINC000182768877 141375955 /nfs/dbraw/zinc/37/59/55/141375955.db2.gz XXTSCQTXXHMMGW-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C(CC)(CC)C[NH3+])c(C)c2)CC1 ZINC000327552188 141504669 /nfs/dbraw/zinc/50/46/69/141504669.db2.gz XIGFYICGBMGMJQ-UHFFFAOYSA-N 1 3 346.519 2.841 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000343505523 142008901 /nfs/dbraw/zinc/00/89/01/142008901.db2.gz NCDGFIWUPDGXOB-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2cccc(C)c2)[C@H](C)C1 ZINC000343505523 142008903 /nfs/dbraw/zinc/00/89/03/142008903.db2.gz NCDGFIWUPDGXOB-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000343506188 142009307 /nfs/dbraw/zinc/00/93/07/142009307.db2.gz NCDGFIWUPDGXOB-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2cccc(C)c2)[C@@H](C)C1 ZINC000343506188 142009308 /nfs/dbraw/zinc/00/93/08/142009308.db2.gz NCDGFIWUPDGXOB-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000344687008 142061324 /nfs/dbraw/zinc/06/13/24/142061324.db2.gz ICJAQUFRMOAELH-IAGOWNOFSA-N 1 3 329.488 2.771 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CCO)CCCC2)CC1 ZINC000344742770 142071575 /nfs/dbraw/zinc/07/15/75/142071575.db2.gz RESWZEYDBIRPSY-UHFFFAOYSA-N 1 3 345.531 2.861 20 0 EFADHO C[C@]1(CCCO)CCCN1CCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000345924705 142118861 /nfs/dbraw/zinc/11/88/61/142118861.db2.gz HTBYJQBFFJKGJF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@]1(CCCO)CCCN1CCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000345924705 142118862 /nfs/dbraw/zinc/11/88/62/142118862.db2.gz HTBYJQBFFJKGJF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@]1(CCCO)CCC[N@H+]1CCCN1CCC[C@@]1(C)CCCO ZINC000345924705 142118863 /nfs/dbraw/zinc/11/88/63/142118863.db2.gz HTBYJQBFFJKGJF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@]1(CCCO)CCC[N@@H+]1CCCN1CCC[C@@]1(C)CCCO ZINC000345924705 142118864 /nfs/dbraw/zinc/11/88/64/142118864.db2.gz HTBYJQBFFJKGJF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN(Cc2cccnc2)CC1)N1CCCCC1 ZINC000346281062 142182245 /nfs/dbraw/zinc/18/22/45/142182245.db2.gz UQSRZTMLSNURSP-SFHVURJKSA-N 1 3 330.520 2.900 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000347459222 142220675 /nfs/dbraw/zinc/22/06/75/142220675.db2.gz XDHCPNWHARWEHH-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CCN1CCCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)CC1 ZINC000347459222 142220677 /nfs/dbraw/zinc/22/06/77/142220677.db2.gz XDHCPNWHARWEHH-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO O=C(c1ccc2c(c1)CNC2)N1CCN(CC2CCCCC2)CC1 ZINC000347496760 142226409 /nfs/dbraw/zinc/22/64/09/142226409.db2.gz HIYWWYQTZJLFSD-UHFFFAOYSA-N 1 3 327.472 2.628 20 0 EFADHO O=C(c1ccc2c(c1)C[NH2+]C2)N1CCN(CC2CCCCC2)CC1 ZINC000347496760 142226410 /nfs/dbraw/zinc/22/64/10/142226410.db2.gz HIYWWYQTZJLFSD-UHFFFAOYSA-N 1 3 327.472 2.628 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CNC2 ZINC000347509548 142228192 /nfs/dbraw/zinc/22/81/92/142228192.db2.gz BDXWIOAIZXSULV-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347513900 142229330 /nfs/dbraw/zinc/22/93/30/142229330.db2.gz ZTNFZEMGMFFBMG-GASCZTMLSA-N 1 3 329.488 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347513900 142229332 /nfs/dbraw/zinc/22/93/32/142229332.db2.gz ZTNFZEMGMFFBMG-GASCZTMLSA-N 1 3 329.488 2.776 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc4c(c3)CNC4)C2)CC1 ZINC000347536196 142232139 /nfs/dbraw/zinc/23/21/39/142232139.db2.gz ZQXUAWJKIPXGEQ-QGZVFWFLSA-N 1 3 341.499 2.874 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347534412 142232396 /nfs/dbraw/zinc/23/23/96/142232396.db2.gz PLNGDVLQEWKAHU-IYBDPMFKSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347534412 142232397 /nfs/dbraw/zinc/23/23/97/142232397.db2.gz PLNGDVLQEWKAHU-IYBDPMFKSA-N 1 3 329.488 2.778 20 0 EFADHO Cc1ccc([C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C2CCC2)o1 ZINC000349456120 142331547 /nfs/dbraw/zinc/33/15/47/142331547.db2.gz RMQFZFLYRPWNEV-WMZOPIPTSA-N 1 3 333.476 2.606 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000349522107 142334629 /nfs/dbraw/zinc/33/46/29/142334629.db2.gz GMZZPNWFUQXICM-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000349662356 142345400 /nfs/dbraw/zinc/34/54/00/142345400.db2.gz HUGKDLJWXIZTPI-MRXNPFEDSA-N 1 3 337.439 2.547 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000349745769 142353946 /nfs/dbraw/zinc/35/39/46/142353946.db2.gz PGCRYTURQPFCRH-ZWKOTPCHSA-N 1 3 340.556 2.870 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2cccnc2)CC1 ZINC000349780688 142358519 /nfs/dbraw/zinc/35/85/19/142358519.db2.gz CNBIDISMZCADSP-QGZVFWFLSA-N 1 3 346.519 2.703 20 0 EFADHO CC(C)OCC[C@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349882704 142373273 /nfs/dbraw/zinc/37/32/73/142373273.db2.gz NCESCPPXQPSMOJ-PMACEKPBSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)OCC[C@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349882704 142373275 /nfs/dbraw/zinc/37/32/75/142373275.db2.gz NCESCPPXQPSMOJ-PMACEKPBSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)OCC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349882705 142373370 /nfs/dbraw/zinc/37/33/70/142373370.db2.gz NCESCPPXQPSMOJ-UXHICEINSA-N 1 3 334.504 2.616 20 0 EFADHO CC(C)OCC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000349882705 142373371 /nfs/dbraw/zinc/37/33/71/142373371.db2.gz NCESCPPXQPSMOJ-UXHICEINSA-N 1 3 334.504 2.616 20 0 EFADHO C[C@@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C[NH+](C)C ZINC000341289689 145026873 /nfs/dbraw/zinc/02/68/73/145026873.db2.gz MIYOFEDBEGUXGW-ROUUACIJSA-N 1 3 345.531 2.644 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341328223 145033838 /nfs/dbraw/zinc/03/38/38/145033838.db2.gz WVMIMTRQNWKKJN-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341328223 145033840 /nfs/dbraw/zinc/03/38/40/145033840.db2.gz WVMIMTRQNWKKJN-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000342060238 145057787 /nfs/dbraw/zinc/05/77/87/145057787.db2.gz SDDFUMTUSXRZPW-RTBURBONSA-N 1 3 343.515 2.902 20 0 EFADHO CCCCN(C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342686180 145172603 /nfs/dbraw/zinc/17/26/03/145172603.db2.gz AEASPRWXOABQAV-UHFFFAOYSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC000342686572 145172607 /nfs/dbraw/zinc/17/26/07/145172607.db2.gz AOUZTHHLOFITHD-QFBILLFUSA-N 1 3 343.515 2.783 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000342697602 145174255 /nfs/dbraw/zinc/17/42/55/145174255.db2.gz SJHNEOSAMXLUTA-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342699159 145174677 /nfs/dbraw/zinc/17/46/77/145174677.db2.gz VDFQLNGNELRQGN-FRQCXROJSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000342716328 145178665 /nfs/dbraw/zinc/17/86/65/145178665.db2.gz COVDFZSXXUCVTO-OTWHNJEPSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342721986 145179298 /nfs/dbraw/zinc/17/92/98/145179298.db2.gz AOPIDGPKOLGMJR-APWZRJJASA-N 1 3 341.499 2.537 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342756405 145186142 /nfs/dbraw/zinc/18/61/42/145186142.db2.gz SBYBVDZPSDNOOA-KRWDZBQOSA-N 1 3 343.515 2.690 20 0 EFADHO C[C@@H]1CCCCN1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342761004 145186663 /nfs/dbraw/zinc/18/66/63/145186663.db2.gz WWWDOCIAWIDJBD-QGZVFWFLSA-N 1 3 343.515 2.833 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000342819700 145201358 /nfs/dbraw/zinc/20/13/58/145201358.db2.gz DGJQZZNZUNXCIW-NHCUHLMSSA-N 1 3 343.515 2.972 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000342819700 145201359 /nfs/dbraw/zinc/20/13/59/145201359.db2.gz DGJQZZNZUNXCIW-NHCUHLMSSA-N 1 3 343.515 2.972 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1)C1CC1 ZINC000343784569 145293941 /nfs/dbraw/zinc/29/39/41/145293941.db2.gz FIRMEKKDDGMBFZ-QRWLVFNGSA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1)C1CC1 ZINC000343784569 145293942 /nfs/dbraw/zinc/29/39/42/145293942.db2.gz FIRMEKKDDGMBFZ-QRWLVFNGSA-N 1 3 341.499 2.883 20 0 EFADHO Cc1nc2ccccn2c1C[NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000343790313 145295559 /nfs/dbraw/zinc/29/55/59/145295559.db2.gz SGRAKUZQNBUHGZ-HZPDHXFCSA-N 1 3 330.476 2.622 20 0 EFADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000343918716 145323961 /nfs/dbraw/zinc/32/39/61/145323961.db2.gz FHERIBGANZGMDU-GHTZIAJQSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000343918716 145323964 /nfs/dbraw/zinc/32/39/64/145323964.db2.gz FHERIBGANZGMDU-GHTZIAJQSA-N 1 3 345.531 2.932 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000344009901 145344792 /nfs/dbraw/zinc/34/47/92/145344792.db2.gz KSNUHQUIEDNPDV-UHFFFAOYSA-N 1 3 346.519 2.554 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344034384 145351324 /nfs/dbraw/zinc/35/13/24/145351324.db2.gz NZDZJAPJPSARSQ-IXDOHACOSA-N 1 3 335.492 2.821 20 0 EFADHO C[C@H](C(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344034384 145351326 /nfs/dbraw/zinc/35/13/26/145351326.db2.gz NZDZJAPJPSARSQ-IXDOHACOSA-N 1 3 335.492 2.821 20 0 EFADHO CCC1(CO)CCN(CC(C)C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000344042421 145353856 /nfs/dbraw/zinc/35/38/56/145353856.db2.gz TYQFFVMPMNGWDO-UHFFFAOYSA-N 1 3 340.552 2.592 20 0 EFADHO CCC[N@H+](CCOc1ccccc1F)CCN1CCN(CC)CC1 ZINC000344180037 145385530 /nfs/dbraw/zinc/38/55/30/145385530.db2.gz SWEGAFWNRAQTRN-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO CCC[N@@H+](CCOc1ccccc1F)CCN1CCN(CC)CC1 ZINC000344180037 145385531 /nfs/dbraw/zinc/38/55/31/145385531.db2.gz SWEGAFWNRAQTRN-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO CN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261541544 545619585 /nfs/dbraw/zinc/61/95/85/545619585.db2.gz BHBMCHQQXOTQEC-OTWHNJEPSA-N 1 3 329.488 2.627 20 0 EFADHO Cc1nc(COc2ccc(CN3CCC([C@@H](C)[NH3+])CC3)cc2)no1 ZINC000347030518 145774997 /nfs/dbraw/zinc/77/49/97/145774997.db2.gz XJHGNMJZYAJYDH-CYBMUJFWSA-N 1 3 330.432 2.516 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(C2CCC2)s1 ZINC000349039937 146041107 /nfs/dbraw/zinc/04/11/07/146041107.db2.gz ZGYXMTDAZNXGMO-UHFFFAOYSA-N 1 3 336.549 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000349052702 146043126 /nfs/dbraw/zinc/04/31/26/146043126.db2.gz ATFKXRHNQYGTGM-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(COC)c1 ZINC000349059983 146044881 /nfs/dbraw/zinc/04/48/81/146044881.db2.gz DBFSFEQNLCHOFG-HXUWFJFHSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(COC)c1 ZINC000349059983 146044882 /nfs/dbraw/zinc/04/48/82/146044882.db2.gz DBFSFEQNLCHOFG-HXUWFJFHSA-N 1 3 333.520 2.681 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000349142060 146058765 /nfs/dbraw/zinc/05/87/65/146058765.db2.gz HFLQVTVHGMOIGR-QZTJIDSGSA-N 1 3 345.531 2.786 20 0 EFADHO CCc1cccc(F)c1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349310691 146078446 /nfs/dbraw/zinc/07/84/46/146078446.db2.gz BNPQBUBRVYUCDD-INIZCTEOSA-N 1 3 333.495 2.988 20 0 EFADHO CCc1cccc(F)c1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000349310691 146078448 /nfs/dbraw/zinc/07/84/48/146078448.db2.gz BNPQBUBRVYUCDD-INIZCTEOSA-N 1 3 333.495 2.988 20 0 EFADHO C[C@@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000350780561 146089768 /nfs/dbraw/zinc/08/97/68/146089768.db2.gz DQUAHAWBAMSRIC-WMLDXEAASA-N 1 3 328.460 2.976 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000351472602 146125536 /nfs/dbraw/zinc/12/55/36/146125536.db2.gz BEPKQMWGXCEBFM-ZOBUZTSGSA-N 1 3 344.434 2.786 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]12 ZINC000351490136 146130095 /nfs/dbraw/zinc/13/00/95/146130095.db2.gz IFMIDPCTGJYQJC-KCPJHIHWSA-N 1 3 341.377 2.703 20 0 EFADHO CC[N@@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000351719304 146186755 /nfs/dbraw/zinc/18/67/55/146186755.db2.gz LUOLFCYPAXJNDM-VQTJNVASSA-N 1 3 344.547 2.613 20 0 EFADHO CC[N@H+]1C[C@@H](C)N(CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000351719304 146186756 /nfs/dbraw/zinc/18/67/56/146186756.db2.gz LUOLFCYPAXJNDM-VQTJNVASSA-N 1 3 344.547 2.613 20 0 EFADHO Cc1ncc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000351756697 146196144 /nfs/dbraw/zinc/19/61/44/146196144.db2.gz LNUPLGVKNACAQD-UHFFFAOYSA-N 1 3 325.460 2.919 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351876514 146224172 /nfs/dbraw/zinc/22/41/72/146224172.db2.gz FYKHROUNWSEVOQ-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351876514 146224173 /nfs/dbraw/zinc/22/41/73/146224173.db2.gz FYKHROUNWSEVOQ-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351876516 146224375 /nfs/dbraw/zinc/22/43/75/146224375.db2.gz FYKHROUNWSEVOQ-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000351876516 146224376 /nfs/dbraw/zinc/22/43/76/146224376.db2.gz FYKHROUNWSEVOQ-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](CCCCF)CC1)Cc1ccccc1 ZINC000351882426 146225320 /nfs/dbraw/zinc/22/53/20/146225320.db2.gz PPRKTGQDKDBFPX-UHFFFAOYSA-N 1 3 349.494 2.696 20 0 EFADHO C[C@@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000352821022 146323780 /nfs/dbraw/zinc/32/37/80/146323780.db2.gz RWLWQUPXFVJXNV-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000352821022 146323782 /nfs/dbraw/zinc/32/37/82/146323782.db2.gz RWLWQUPXFVJXNV-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO CCOC(=O)CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830998 146327761 /nfs/dbraw/zinc/32/77/61/146327761.db2.gz LFIMXGKOAHTMTH-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830998 146327763 /nfs/dbraw/zinc/32/77/63/146327763.db2.gz LFIMXGKOAHTMTH-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000352969333 146362354 /nfs/dbraw/zinc/36/23/54/146362354.db2.gz RLNIQAQEBJCNBL-DOMZBBRYSA-N 1 3 326.282 2.791 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCNc1cccc(Br)c1 ZINC000352969333 146362355 /nfs/dbraw/zinc/36/23/55/146362355.db2.gz RLNIQAQEBJCNBL-DOMZBBRYSA-N 1 3 326.282 2.791 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353449049 146482460 /nfs/dbraw/zinc/48/24/60/146482460.db2.gz NAKGTKKMYJKGRI-LZQZEXGQSA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000355579082 147002363 /nfs/dbraw/zinc/00/23/63/147002363.db2.gz GJIOQHQVMUXHLK-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2CN2CCCCC2)CCCC1 ZINC000356115268 147151436 /nfs/dbraw/zinc/15/14/36/147151436.db2.gz JANSNTYCWBRHQU-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000356298426 147204406 /nfs/dbraw/zinc/20/44/06/147204406.db2.gz CMDXKNLAJCUQKS-MSOLQXFVSA-N 1 3 331.504 2.733 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794578 147337158 /nfs/dbraw/zinc/33/71/58/147337158.db2.gz HHOREVZCIIKJHA-SJLPKXTDSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794578 147337160 /nfs/dbraw/zinc/33/71/60/147337160.db2.gz HHOREVZCIIKJHA-SJLPKXTDSA-N 1 3 349.494 2.883 20 0 EFADHO NC[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000358856906 147920113 /nfs/dbraw/zinc/92/01/13/147920113.db2.gz OJCMGDFPHVPIAN-IBGZPJMESA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccccc1OCC(=O)N(C)C ZINC000359373026 148069267 /nfs/dbraw/zinc/06/92/67/148069267.db2.gz SYNOVTKQZRTTSJ-KRWDZBQOSA-N 1 3 349.519 2.782 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H](CCO)C3CCOCC3)CC2)C1 ZINC000359401348 148075959 /nfs/dbraw/zinc/07/59/59/148075959.db2.gz SOOIVCDJZIWLRO-LSTHTHJFSA-N 1 3 338.536 2.797 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@H]2C)N2CCCC2)cc1 ZINC000359577434 148127979 /nfs/dbraw/zinc/12/79/79/148127979.db2.gz AXNSWZGZHPSGCX-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000359577434 148127980 /nfs/dbraw/zinc/12/79/80/148127980.db2.gz AXNSWZGZHPSGCX-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000359577434 148127981 /nfs/dbraw/zinc/12/79/81/148127981.db2.gz AXNSWZGZHPSGCX-AHRSYUTCSA-N 1 3 331.504 2.762 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)[C@@H](C)C1 ZINC000359620421 148141897 /nfs/dbraw/zinc/14/18/97/148141897.db2.gz MMMKNSFNVDBLSG-VQTJNVASSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000359666087 148157407 /nfs/dbraw/zinc/15/74/07/148157407.db2.gz VMAJBDBGCPWLDH-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000359666087 148157408 /nfs/dbraw/zinc/15/74/08/148157408.db2.gz VMAJBDBGCPWLDH-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C[C@@H](C)O1 ZINC000359666087 148157409 /nfs/dbraw/zinc/15/74/09/148157409.db2.gz VMAJBDBGCPWLDH-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894881 148218118 /nfs/dbraw/zinc/21/81/18/148218118.db2.gz GXDLQDIJPMFPIU-TYPHKJRUSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894881 148218121 /nfs/dbraw/zinc/21/81/21/148218121.db2.gz GXDLQDIJPMFPIU-TYPHKJRUSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCCc4cnccn4)[C@@H]3C2)cc1 ZINC000359894881 148218124 /nfs/dbraw/zinc/21/81/24/148218124.db2.gz GXDLQDIJPMFPIU-TYPHKJRUSA-N 1 3 336.483 2.909 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@@H]2C)[C@H](C)C1 ZINC000359944225 148230216 /nfs/dbraw/zinc/23/02/16/148230216.db2.gz UJCXUSFLZGMORB-FYQPLNBISA-N 1 3 339.568 2.976 20 0 EFADHO COC[C@H](CC(C)C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000360147946 148284595 /nfs/dbraw/zinc/28/45/95/148284595.db2.gz INHCFXJXCKXCIR-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360363715 148341744 /nfs/dbraw/zinc/34/17/44/148341744.db2.gz ZYYLJVTWGMTWIC-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360363715 148341746 /nfs/dbraw/zinc/34/17/46/148341746.db2.gz ZYYLJVTWGMTWIC-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000152667342 286059451 /nfs/dbraw/zinc/05/94/51/286059451.db2.gz LZMXZJHNWKKMCY-RTBURBONSA-N 1 3 339.568 2.978 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000364464346 149159862 /nfs/dbraw/zinc/15/98/62/149159862.db2.gz WLYGTPMQZJEXQI-HKUYNNGSSA-N 1 3 329.488 2.720 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000364561129 149184686 /nfs/dbraw/zinc/18/46/86/149184686.db2.gz MYYVJTYPYZWCJY-FCEWJHQRSA-N 1 3 347.528 2.637 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000364561133 149184769 /nfs/dbraw/zinc/18/47/69/149184769.db2.gz MYYVJTYPYZWCJY-MDZRGWNJSA-N 1 3 347.528 2.637 20 0 EFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[NH2+]CC1 ZINC000364647266 149207508 /nfs/dbraw/zinc/20/75/08/149207508.db2.gz PMQNCEJQYSHIFX-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737969 149230878 /nfs/dbraw/zinc/23/08/78/149230878.db2.gz GMPGBDRVYIKMQN-VQTJNVASSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737969 149230881 /nfs/dbraw/zinc/23/08/81/149230881.db2.gz GMPGBDRVYIKMQN-VQTJNVASSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000368100277 150036809 /nfs/dbraw/zinc/03/68/09/150036809.db2.gz HGSMHDPUGRFNHT-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000368100277 150036812 /nfs/dbraw/zinc/03/68/12/150036812.db2.gz HGSMHDPUGRFNHT-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1[nH+]c2ccccc2c(NC2CCN([C@H]3CCOC3)CC2)c1C ZINC000368615870 150163502 /nfs/dbraw/zinc/16/35/02/150163502.db2.gz VIYFQXWKQKQXHN-KRWDZBQOSA-N 1 3 325.456 2.939 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)[C@H]1c1cccs1 ZINC000369167476 150289695 /nfs/dbraw/zinc/28/96/95/150289695.db2.gz OLZRBQJGYHAZQI-IIHSZXCVSA-N 1 3 347.528 2.637 20 0 EFADHO CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000369265646 150315048 /nfs/dbraw/zinc/31/50/48/150315048.db2.gz LJYZVCCIKWEJNT-FXAWDEMLSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000369265646 150315049 /nfs/dbraw/zinc/31/50/49/150315049.db2.gz LJYZVCCIKWEJNT-FXAWDEMLSA-N 1 3 331.504 2.543 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]CCCCCOc3ccccc3)C2)CC1 ZINC000372741556 151054024 /nfs/dbraw/zinc/05/40/24/151054024.db2.gz OAPCJAFOXORASO-IBGZPJMESA-N 1 3 345.531 2.994 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373390125 151163117 /nfs/dbraw/zinc/16/31/17/151163117.db2.gz SUXAEPMGHZMIEG-MRXNPFEDSA-N 1 3 342.491 2.621 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cnc(-c2cnn(C)c2)nc1 ZINC000373390125 151163119 /nfs/dbraw/zinc/16/31/19/151163119.db2.gz SUXAEPMGHZMIEG-MRXNPFEDSA-N 1 3 342.491 2.621 20 0 EFADHO CCn1cc(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cn1 ZINC000373753236 151221589 /nfs/dbraw/zinc/22/15/89/151221589.db2.gz IKQQUDUIMPKKOS-QZTJIDSGSA-N 1 3 348.535 2.657 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759771 286246266 /nfs/dbraw/zinc/24/62/66/286246266.db2.gz YBISIZLAGUZFEV-RTBURBONSA-N 1 3 337.552 2.682 20 0 EFADHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCC2 ZINC000192759771 286246267 /nfs/dbraw/zinc/24/62/67/286246267.db2.gz YBISIZLAGUZFEV-RTBURBONSA-N 1 3 337.552 2.682 20 0 EFADHO CCNC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374067436 151278669 /nfs/dbraw/zinc/27/86/69/151278669.db2.gz SIASANXNJDVNHG-HXUWFJFHSA-N 1 3 329.488 2.501 20 0 EFADHO CCNC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374067436 151278671 /nfs/dbraw/zinc/27/86/71/151278671.db2.gz SIASANXNJDVNHG-HXUWFJFHSA-N 1 3 329.488 2.501 20 0 EFADHO C[NH+]1CCC2(CCCN(CCc3nc4ccccc4c(=O)[nH]3)C2)CC1 ZINC000374071767 151280005 /nfs/dbraw/zinc/28/00/05/151280005.db2.gz JSLSZHWFRLEFLH-UHFFFAOYSA-N 1 3 340.471 2.686 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374162704 151293844 /nfs/dbraw/zinc/29/38/44/151293844.db2.gz ODOJENVIRXADEA-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374175681 151296593 /nfs/dbraw/zinc/29/65/93/151296593.db2.gz RITNYCQKTRGZMT-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cnn(CCCCCN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374420595 151344758 /nfs/dbraw/zinc/34/47/58/151344758.db2.gz LZXKTYAKKRDZJS-GBESFXJTSA-N 1 3 334.508 2.545 20 0 EFADHO Cc1cnn(CCCCCN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374420596 151344878 /nfs/dbraw/zinc/34/48/78/151344878.db2.gz LZXKTYAKKRDZJS-GUDVDZBRSA-N 1 3 334.508 2.545 20 0 EFADHO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(OCCN(C)C)c1 ZINC000374526853 151362449 /nfs/dbraw/zinc/36/24/49/151362449.db2.gz MCILOAYQZDCVNN-QRFRQXIXSA-N 1 3 348.487 2.616 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(OCCN(C)C)c1 ZINC000374526852 151363067 /nfs/dbraw/zinc/36/30/67/151363067.db2.gz MCILOAYQZDCVNN-ILZDJORESA-N 1 3 348.487 2.616 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccsc1 ZINC000377817909 151952047 /nfs/dbraw/zinc/95/20/47/151952047.db2.gz WUZRFJUZSHJGIO-KSZLIROESA-N 1 3 349.544 2.883 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000378265089 152044488 /nfs/dbraw/zinc/04/44/88/152044488.db2.gz DYZWFMHYKNMKNR-LJQANCHMSA-N 1 3 329.488 2.552 20 0 EFADHO C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC[C@H](C)C1 ZINC000407961762 152139173 /nfs/dbraw/zinc/13/91/73/152139173.db2.gz KEKVNRDLNIVGCW-LSDHHAIUSA-N 1 3 338.540 2.715 20 0 EFADHO COc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)[C@H](CO)C(C)C)cc1 ZINC000179920212 286303550 /nfs/dbraw/zinc/30/35/50/286303550.db2.gz YEZUJFHLLOFVRH-AZUAARDMSA-N 1 3 334.504 2.998 20 0 EFADHO COc1ccc(CN(CC[C@@H]2CCC[N@H+]2C)[C@H](CO)C(C)C)cc1 ZINC000179920212 286303552 /nfs/dbraw/zinc/30/35/52/286303552.db2.gz YEZUJFHLLOFVRH-AZUAARDMSA-N 1 3 334.504 2.998 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(CC)CC ZINC000344091269 286388315 /nfs/dbraw/zinc/38/83/15/286388315.db2.gz DEBJPTZMYIAAII-FGTMMUONSA-N 1 3 326.525 2.653 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3CN)CCOCC2)cc1 ZINC000422875925 286561397 /nfs/dbraw/zinc/56/13/97/286561397.db2.gz DMURNLBIRMMBBC-VQIMIIECSA-N 1 3 332.488 2.851 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501274 298388867 /nfs/dbraw/zinc/38/88/67/298388867.db2.gz QNULWBMIJCDUET-KDOFPFPSSA-N 1 3 328.460 2.656 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H](CCO)c1ccccc1Br ZINC000423032383 298392159 /nfs/dbraw/zinc/39/21/59/298392159.db2.gz MIOFCQDLYIOLJR-DOMZBBRYSA-N 1 3 329.282 2.980 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000339748116 287351922 /nfs/dbraw/zinc/35/19/22/287351922.db2.gz NENOERREAFFESU-LMMKCTJWSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166243617 226153758 /nfs/dbraw/zinc/15/37/58/226153758.db2.gz MQISXQKTIHKLIP-RYRKJORJSA-N 1 3 331.504 2.903 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169091489 226231349 /nfs/dbraw/zinc/23/13/49/226231349.db2.gz FRJOXLRKMSAADY-DLBZAZTESA-N 1 3 345.487 2.926 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000122341038 222064934 /nfs/dbraw/zinc/06/49/34/222064934.db2.gz XLMWLPJTWHYGDE-ZACQAIPSSA-N 1 3 347.503 2.505 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000123220189 222238383 /nfs/dbraw/zinc/23/83/83/222238383.db2.gz DBTJKAORBNCQHX-UHFFFAOYSA-N 1 3 331.460 2.559 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC[NH+]1CCCCCC1 ZINC000123948479 222356085 /nfs/dbraw/zinc/35/60/85/222356085.db2.gz UCNJIPRDBCCMFV-CQSZACIVSA-N 1 3 338.883 2.918 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000073311664 544464462 /nfs/dbraw/zinc/46/44/62/544464462.db2.gz CBBBCFHXTJJDEA-IBGZPJMESA-N 1 3 329.488 2.672 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(CCCc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000090219308 544531855 /nfs/dbraw/zinc/53/18/55/544531855.db2.gz WASVIOBSJMYJFS-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)C(=O)Nc1nccs1 ZINC000090987539 544534497 /nfs/dbraw/zinc/53/44/97/544534497.db2.gz UYSGESQDVDHPAW-UKRRQHHQSA-N 1 3 338.521 2.816 20 0 EFADHO C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)C1CC[NH+](C)CC1 ZINC000090919408 544535011 /nfs/dbraw/zinc/53/50/11/544535011.db2.gz MIOZGYJNPDZGQS-PBHICJAKSA-N 1 3 333.451 2.641 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O)C1CCN(C)CC1 ZINC000090219306 544530670 /nfs/dbraw/zinc/53/06/70/544530670.db2.gz WASVIOBSJMYJFS-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCc2c1cnn2C ZINC000093863751 544556872 /nfs/dbraw/zinc/55/68/72/544556872.db2.gz AFEGOWZDHSBTMM-IBGZPJMESA-N 1 3 342.487 2.870 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000120596911 544588841 /nfs/dbraw/zinc/58/88/41/544588841.db2.gz MGJCKTUJBTUIHV-FQEVSTJZSA-N 1 3 331.504 2.524 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777533 544634294 /nfs/dbraw/zinc/63/42/94/544634294.db2.gz DZVOMODBQDHYGL-VCBZYWHSSA-N 1 3 330.451 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777533 544634298 /nfs/dbraw/zinc/63/42/98/544634298.db2.gz DZVOMODBQDHYGL-VCBZYWHSSA-N 1 3 330.451 2.872 20 0 EFADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cccc(-n2cnnn2)c1 ZINC000123581399 544608336 /nfs/dbraw/zinc/60/83/36/544608336.db2.gz LMENGOVABJAYTM-HNNXBMFYSA-N 1 3 336.443 2.575 20 0 EFADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc(-n2cnnn2)c1 ZINC000125856198 544619047 /nfs/dbraw/zinc/61/90/47/544619047.db2.gz GRBYEJPMRXUEOF-PBHICJAKSA-N 1 3 330.480 2.679 20 0 EFADHO CN1CCCN(CCC[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000132239367 544667451 /nfs/dbraw/zinc/66/74/51/544667451.db2.gz IAJBGRMTQSSQKF-UHFFFAOYSA-N 1 3 338.499 2.866 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000177883449 544898352 /nfs/dbraw/zinc/89/83/52/544898352.db2.gz TXAVOTLXBQQXKM-QGZVFWFLSA-N 1 3 337.508 2.978 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178289896 544903723 /nfs/dbraw/zinc/90/37/23/544903723.db2.gz NTWYJUYOFDVSFK-QGZVFWFLSA-N 1 3 337.508 2.978 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@H]2CCSc3c(F)cccc32)CC1 ZINC000178289910 544904134 /nfs/dbraw/zinc/90/41/34/544904134.db2.gz NTWYJUYOFDVSFK-KRWDZBQOSA-N 1 3 337.508 2.978 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000186466869 265068494 /nfs/dbraw/zinc/06/84/94/265068494.db2.gz ZTYXCQPKSYFLQS-RDJZCZTQSA-N 1 3 349.475 2.508 20 0 EFADHO Cc1c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1C(C)(C)C ZINC000191161534 265254261 /nfs/dbraw/zinc/25/42/61/265254261.db2.gz JEAPXGOTPZMNOB-OAHLLOKOSA-N 1 3 335.540 2.623 20 0 EFADHO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773549 265308254 /nfs/dbraw/zinc/30/82/54/265308254.db2.gz AAHPXXKEKMCBPS-OALUTQOASA-N 1 3 339.568 2.928 20 0 EFADHO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773549 265308258 /nfs/dbraw/zinc/30/82/58/265308258.db2.gz AAHPXXKEKMCBPS-OALUTQOASA-N 1 3 339.568 2.928 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH+]2CCCCC2)N(C)C)cc1 ZINC000194470989 265372240 /nfs/dbraw/zinc/37/22/40/265372240.db2.gz FMSTUIAWHMDSTO-LJQANCHMSA-N 1 3 346.519 2.773 20 0 EFADHO Cn1ccc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000270627525 265763624 /nfs/dbraw/zinc/76/36/24/265763624.db2.gz LMXVOUVODWZETD-UHFFFAOYSA-N 1 3 326.488 2.717 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277207822 273151274 /nfs/dbraw/zinc/15/12/74/273151274.db2.gz WFMJUASYAZSBMA-JYBIWHBTSA-N 1 3 347.572 2.922 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277207822 273151276 /nfs/dbraw/zinc/15/12/76/273151276.db2.gz WFMJUASYAZSBMA-JYBIWHBTSA-N 1 3 347.572 2.922 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc(OCCN(C)C)cc1 ZINC000271530082 266001454 /nfs/dbraw/zinc/00/14/54/266001454.db2.gz RWBNONMKILTPSQ-MRXNPFEDSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000271558882 266007594 /nfs/dbraw/zinc/00/75/94/266007594.db2.gz WLHRIJFHKRACSS-JCGIZDLHSA-N 1 3 346.471 2.834 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000271836574 266075003 /nfs/dbraw/zinc/07/50/03/266075003.db2.gz GCWDKVAVRGAFIO-OTWHNJEPSA-N 1 3 327.472 2.845 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000271836572 266075462 /nfs/dbraw/zinc/07/54/62/266075462.db2.gz GCWDKVAVRGAFIO-IPMKNSEASA-N 1 3 327.472 2.845 20 0 EFADHO CN1CC=C(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000271897276 266089387 /nfs/dbraw/zinc/08/93/87/266089387.db2.gz FZVPWZDUBOOBGQ-UHFFFAOYSA-N 1 3 327.472 2.664 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000272090924 266148827 /nfs/dbraw/zinc/14/88/27/266148827.db2.gz NDVFHQOJXQSGKO-IBGZPJMESA-N 1 3 344.503 2.631 20 0 EFADHO COCCn1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000272205155 266188482 /nfs/dbraw/zinc/18/84/82/266188482.db2.gz PGLNTHPKGGKCBX-YLJYHZDGSA-N 1 3 342.487 2.530 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000272209342 266189974 /nfs/dbraw/zinc/18/99/74/266189974.db2.gz HKRSQMOBPOFZEJ-SQGPQFPESA-N 1 3 343.515 2.525 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000272209341 266190183 /nfs/dbraw/zinc/19/01/83/266190183.db2.gz HKRSQMOBPOFZEJ-QKLQHJQFSA-N 1 3 343.515 2.525 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000272281223 266214517 /nfs/dbraw/zinc/21/45/17/266214517.db2.gz CYWGQIUTIUVWBW-CRAIPNDOSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000272281223 266214519 /nfs/dbraw/zinc/21/45/19/266214519.db2.gz CYWGQIUTIUVWBW-CRAIPNDOSA-N 1 3 349.544 2.758 20 0 EFADHO CCC[C@](C)(N)C(=O)NCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000272513408 266290369 /nfs/dbraw/zinc/29/03/69/266290369.db2.gz XTZKJZHNBRBMHK-IBGZPJMESA-N 1 3 335.492 2.541 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272551254 266304516 /nfs/dbraw/zinc/30/45/16/266304516.db2.gz IGNKIXKGIPAPQR-SFHVURJKSA-N 1 3 349.544 2.980 20 0 EFADHO C[C@H]([NH2+]C[C@@](C)(O)c1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272671941 266347196 /nfs/dbraw/zinc/34/71/96/266347196.db2.gz PRAYRRSDWPOEAZ-XKGZKEIXSA-N 1 3 328.456 2.987 20 0 EFADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)cn1 ZINC000272705947 266356751 /nfs/dbraw/zinc/35/67/51/266356751.db2.gz UEKUUPMKPOLFCN-PCCBWWKXSA-N 1 3 338.499 2.853 20 0 EFADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272715066 266360067 /nfs/dbraw/zinc/36/00/67/266360067.db2.gz CLCMRYUAERXQLG-LPHOPBHVSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272715066 266360074 /nfs/dbraw/zinc/36/00/74/266360074.db2.gz CLCMRYUAERXQLG-LPHOPBHVSA-N 1 3 325.456 2.807 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738723 266368132 /nfs/dbraw/zinc/36/81/32/266368132.db2.gz CLYWIJHDAYPMPR-FXAWDEMLSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738723 266368136 /nfs/dbraw/zinc/36/81/36/266368136.db2.gz CLYWIJHDAYPMPR-FXAWDEMLSA-N 1 3 341.499 2.665 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000272759063 266374794 /nfs/dbraw/zinc/37/47/94/266374794.db2.gz PUYKXXLEGPZWGV-RDJZCZTQSA-N 1 3 341.455 2.802 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000272759068 266374933 /nfs/dbraw/zinc/37/49/33/266374933.db2.gz PUYKXXLEGPZWGV-WBVHZDCISA-N 1 3 341.455 2.802 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000107982549 273008507 /nfs/dbraw/zinc/00/85/07/273008507.db2.gz KFTBBVSTYJWPFL-GOSISDBHSA-N 1 3 340.556 2.728 20 0 EFADHO CC[NH+]1CCC(NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000277186557 267126939 /nfs/dbraw/zinc/12/69/39/267126939.db2.gz UJQWRNSOKJMFKX-IBGZPJMESA-N 1 3 333.545 2.678 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000277390194 267170547 /nfs/dbraw/zinc/17/05/47/267170547.db2.gz XISQRBDJSYXZEE-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CN(CCC[NH2+]C2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000277637743 267219578 /nfs/dbraw/zinc/21/95/78/267219578.db2.gz CSIWXXIPVLGGHB-IBGZPJMESA-N 1 3 345.531 2.742 20 0 EFADHO CC[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1 ZINC000132605731 273018844 /nfs/dbraw/zinc/01/88/44/273018844.db2.gz KDAZBHDAECCZNW-HXUWFJFHSA-N 1 3 342.487 2.618 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000157589167 273021077 /nfs/dbraw/zinc/02/10/77/273021077.db2.gz IZIBERJFMKZCRW-UHFFFAOYSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000157589167 273021078 /nfs/dbraw/zinc/02/10/78/273021078.db2.gz IZIBERJFMKZCRW-UHFFFAOYSA-N 1 3 326.529 2.623 20 0 EFADHO COC(=O)c1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173959546 273026735 /nfs/dbraw/zinc/02/67/35/273026735.db2.gz RXECWZFBJUIHFR-UHFFFAOYSA-N 1 3 346.471 2.550 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747951 273052454 /nfs/dbraw/zinc/05/24/54/273052454.db2.gz BJPRVVXGBZXWQA-VYDXJSESSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747951 273052455 /nfs/dbraw/zinc/05/24/55/273052455.db2.gz BJPRVVXGBZXWQA-VYDXJSESSA-N 1 3 337.508 2.872 20 0 EFADHO Cc1nc([C@@H](C)NCCCN2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000269437929 273080039 /nfs/dbraw/zinc/08/00/39/273080039.db2.gz RVHPOIQWJIJSQL-OAHLLOKOSA-N 1 3 345.516 2.709 20 0 EFADHO CCc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccc2n1 ZINC000269715277 273089377 /nfs/dbraw/zinc/08/93/77/273089377.db2.gz AIILZIMUDKHSFX-INIZCTEOSA-N 1 3 325.456 2.956 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000271088070 273096032 /nfs/dbraw/zinc/09/60/32/273096032.db2.gz ZZVQQPDEABCILQ-UHFFFAOYSA-N 1 3 349.519 2.969 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cc(OC)cc(C)n2)CC1 ZINC000271088070 273096033 /nfs/dbraw/zinc/09/60/33/273096033.db2.gz ZZVQQPDEABCILQ-UHFFFAOYSA-N 1 3 349.519 2.969 20 0 EFADHO C[C@@H]1C[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CN1C1CC1 ZINC000271247013 273103287 /nfs/dbraw/zinc/10/32/87/273103287.db2.gz VXBRUBJGQDTVDN-CVEARBPZSA-N 1 3 343.519 2.649 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272165559 273113296 /nfs/dbraw/zinc/11/32/96/273113296.db2.gz GRBZUOJQYQXGEV-UZLBHIALSA-N 1 3 337.467 2.786 20 0 EFADHO COC(=O)CCCN1CCC(Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000274239444 273126785 /nfs/dbraw/zinc/12/67/85/273126785.db2.gz VTHABYPFXMQFRZ-UHFFFAOYSA-N 1 3 333.476 2.578 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000277080883 273146234 /nfs/dbraw/zinc/14/62/34/273146234.db2.gz XXDLVYAIPKNHLE-QRQLOZEOSA-N 1 3 342.483 2.972 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CCC2)C(=O)O1 ZINC000277080883 273146235 /nfs/dbraw/zinc/14/62/35/273146235.db2.gz XXDLVYAIPKNHLE-QRQLOZEOSA-N 1 3 342.483 2.972 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000277206199 273150836 /nfs/dbraw/zinc/15/08/36/273150836.db2.gz WEPYNBHMTDQZIP-IHPCNDPISA-N 1 3 347.572 2.924 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000277206199 273150837 /nfs/dbraw/zinc/15/08/37/273150837.db2.gz WEPYNBHMTDQZIP-IHPCNDPISA-N 1 3 347.572 2.924 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000279004641 273165554 /nfs/dbraw/zinc/16/55/54/273165554.db2.gz GYJOQPJLSWAQBN-UHFFFAOYSA-N 1 3 344.503 2.787 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279743059 273248420 /nfs/dbraw/zinc/24/84/20/273248420.db2.gz PDLKNFFROQAMEY-AZUAARDMSA-N 1 3 333.520 2.770 20 0 EFADHO Clc1ccc(C[NH2+]CCCN2CCCCC2)c(-n2cncn2)c1 ZINC000279807847 273255709 /nfs/dbraw/zinc/25/57/09/273255709.db2.gz FJSKYFZYVIOZFP-UHFFFAOYSA-N 1 3 333.867 2.886 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)[C@@H]1C ZINC000279994785 273278913 /nfs/dbraw/zinc/27/89/13/273278913.db2.gz RIOKASBCGFKTJT-HHXXYDBFSA-N 1 3 348.487 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]1C ZINC000280359114 273319598 /nfs/dbraw/zinc/31/95/98/273319598.db2.gz RWZLWXATLWUDKA-AYBZRNKSSA-N 1 3 345.487 2.865 20 0 EFADHO CCOC(=O)CCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280498038 273334383 /nfs/dbraw/zinc/33/43/83/273334383.db2.gz QPOSBJSHZLRGAW-KDURUIRLSA-N 1 3 330.472 2.784 20 0 EFADHO CCOC(=O)CCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280498038 273334385 /nfs/dbraw/zinc/33/43/85/273334385.db2.gz QPOSBJSHZLRGAW-KDURUIRLSA-N 1 3 330.472 2.784 20 0 EFADHO CC(C)n1nccc1C[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000281034325 273393792 /nfs/dbraw/zinc/39/37/92/273393792.db2.gz YSQMJVVYMSZYOC-UHFFFAOYSA-N 1 3 330.476 2.737 20 0 EFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282295174 273542121 /nfs/dbraw/zinc/54/21/21/273542121.db2.gz SIOGLFPBLRTPBH-UTKZUKDTSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@@H](C[NH3+])C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000285695788 274055207 /nfs/dbraw/zinc/05/52/07/274055207.db2.gz BHWRNSQGZXYAQQ-SFHVURJKSA-N 1 3 339.483 2.790 20 0 EFADHO C[NH2+]CCC(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000285751771 274066846 /nfs/dbraw/zinc/06/68/46/274066846.db2.gz JCHDBYRWCHVBHK-UHFFFAOYSA-N 1 3 339.483 2.805 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285777994 274072630 /nfs/dbraw/zinc/07/26/30/274072630.db2.gz TYYOLDSGTWMDRV-OAHLLOKOSA-N 1 3 331.460 2.790 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285906305 274097807 /nfs/dbraw/zinc/09/78/07/274097807.db2.gz CZAYHJFUHSYGOF-ZDUSSCGKSA-N 1 3 329.444 2.543 20 0 EFADHO OCCOCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000285934396 274103202 /nfs/dbraw/zinc/10/32/02/274103202.db2.gz CZSYMBKGOQCLSP-QHAWAJNXSA-N 1 3 346.515 2.666 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286036730 274121190 /nfs/dbraw/zinc/12/11/90/274121190.db2.gz KJYYOSULOIMYDB-JSGCOSHPSA-N 1 3 328.478 2.542 20 0 EFADHO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286096640 274132899 /nfs/dbraw/zinc/13/28/99/274132899.db2.gz MIUXKIGZSDRCIO-DOIPELPJSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286096647 274133073 /nfs/dbraw/zinc/13/30/73/274133073.db2.gz MIUXKIGZSDRCIO-MXEMCNAFSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286208886 274154107 /nfs/dbraw/zinc/15/41/07/274154107.db2.gz RRGXLKFEKCLTBP-AWEZNQCLSA-N 1 3 331.460 2.790 20 0 EFADHO CNC(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286258858 274163848 /nfs/dbraw/zinc/16/38/48/274163848.db2.gz UTVYAEUMNGYDII-VAMGGRTRSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000286268683 274166105 /nfs/dbraw/zinc/16/61/05/274166105.db2.gz VYHNPNPAIWBQLG-QWHCGFSZSA-N 1 3 345.409 2.579 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000286329409 274179085 /nfs/dbraw/zinc/17/90/85/274179085.db2.gz WYULPDXKNJTNCG-GOSISDBHSA-N 1 3 329.488 2.772 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000286329409 274179088 /nfs/dbraw/zinc/17/90/88/274179088.db2.gz WYULPDXKNJTNCG-GOSISDBHSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000286476714 274209620 /nfs/dbraw/zinc/20/96/20/274209620.db2.gz KJTFXYOSEKNYDG-QFBILLFUSA-N 1 3 344.503 2.516 20 0 EFADHO COCC[NH+](CCOC)C1CCN(c2ccnc3ccccc32)CC1 ZINC000286516444 274217063 /nfs/dbraw/zinc/21/70/63/274217063.db2.gz XNXBMRNPOFFQRN-UHFFFAOYSA-N 1 3 343.471 2.798 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000338016458 274355083 /nfs/dbraw/zinc/35/50/83/274355083.db2.gz MAYDTQDTSLRVJS-GTAWCEEGSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000338016458 274355086 /nfs/dbraw/zinc/35/50/86/274355086.db2.gz MAYDTQDTSLRVJS-GTAWCEEGSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000287167390 274358569 /nfs/dbraw/zinc/35/85/69/274358569.db2.gz XBYIKQWQAQNADS-QAPCUYQASA-N 1 3 330.476 2.839 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1CCN(C)C ZINC000287345279 274399784 /nfs/dbraw/zinc/39/97/84/274399784.db2.gz PNWAQDSBTOGXAH-SJLPKXTDSA-N 1 3 344.503 2.881 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287539388 274442273 /nfs/dbraw/zinc/44/22/73/274442273.db2.gz DZTJMBSKHGUNJZ-GOEBONIOSA-N 1 3 346.393 2.827 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287872432 274498119 /nfs/dbraw/zinc/49/81/19/274498119.db2.gz XZMJARWYPBAZAO-GDBMZVCRSA-N 1 3 346.393 2.827 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000288288970 274564093 /nfs/dbraw/zinc/56/40/93/274564093.db2.gz WEDITGVZKJNUIL-VQIMIIECSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422611689 275745896 /nfs/dbraw/zinc/74/58/96/275745896.db2.gz SNPCCDHASWASSA-ACBHZAAOSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000418345007 276056388 /nfs/dbraw/zinc/05/63/88/276056388.db2.gz GVGJUPRCQIPLGG-ROUUACIJSA-N 1 3 332.492 2.545 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093942340 276194771 /nfs/dbraw/zinc/19/47/71/276194771.db2.gz DZLYGYYBPSVDAZ-GOSISDBHSA-N 1 3 332.536 2.821 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C3CC3)C2)CC1 ZINC000426118334 276199039 /nfs/dbraw/zinc/19/90/39/276199039.db2.gz XVYSRMWJKAMZBT-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCO[C@H](C[NH2+]C2CCN(C(C)C)CC2)[C@@H]1c1ccccc1 ZINC000344839887 276211819 /nfs/dbraw/zinc/21/18/19/276211819.db2.gz CGCDZABRALCAFF-RTWAWAEBSA-N 1 3 345.531 2.911 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](CC)C[C@@H]2C)[C@H]1c1ccccc1 ZINC000344868120 276229160 /nfs/dbraw/zinc/22/91/60/276229160.db2.gz VEORJMQCGZDWDY-ZIBCJSCZSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)[C@H]1c1ccccc1 ZINC000344868120 276229162 /nfs/dbraw/zinc/22/91/62/276229162.db2.gz VEORJMQCGZDWDY-ZIBCJSCZSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2OCCN(CC)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000344868120 276229164 /nfs/dbraw/zinc/22/91/64/276229164.db2.gz VEORJMQCGZDWDY-ZIBCJSCZSA-N 1 3 345.531 2.768 20 0 EFADHO CCCNC(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000370684379 276265443 /nfs/dbraw/zinc/26/54/43/276265443.db2.gz OFFXWJKLOOCGLG-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173562003 276334372 /nfs/dbraw/zinc/33/43/72/276334372.db2.gz CFTPYHXBQKUERG-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246789263 276364988 /nfs/dbraw/zinc/36/49/88/276364988.db2.gz MFCSICCHLGEKOH-APWZRJJASA-N 1 3 344.503 2.598 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000429372374 276377723 /nfs/dbraw/zinc/37/77/23/276377723.db2.gz MZSGWIGSSMEOAW-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000429372374 276377725 /nfs/dbraw/zinc/37/77/25/276377725.db2.gz MZSGWIGSSMEOAW-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000366501148 276396313 /nfs/dbraw/zinc/39/63/13/276396313.db2.gz RNDNHLYDFNNVPS-YHUYYLMFSA-N 1 3 343.487 2.654 20 0 EFADHO CC[N@H+]1CC[C@@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000366501148 276396314 /nfs/dbraw/zinc/39/63/14/276396314.db2.gz RNDNHLYDFNNVPS-YHUYYLMFSA-N 1 3 343.487 2.654 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416849222 276690148 /nfs/dbraw/zinc/69/01/48/276690148.db2.gz XLDOMWIAMUNUTD-RTBURBONSA-N 1 3 348.535 2.867 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000349073827 276926443 /nfs/dbraw/zinc/92/64/43/276926443.db2.gz LITYOGGEKYRWRH-LEWJYISDSA-N 1 3 327.516 2.750 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)c2ccccc2C1 ZINC000368019244 277010121 /nfs/dbraw/zinc/01/01/21/277010121.db2.gz LZRIVBIPQAWBJY-NSHGMRRFSA-N 1 3 329.488 2.942 20 0 EFADHO C[NH+]1CCC(CNCc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000339240316 277026678 /nfs/dbraw/zinc/02/66/78/277026678.db2.gz RTEDQQIKNWQCHS-UHFFFAOYSA-N 1 3 337.895 2.608 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000183211167 277156849 /nfs/dbraw/zinc/15/68/49/277156849.db2.gz GMKVYHMGHVMICN-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)(CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000341254068 277300588 /nfs/dbraw/zinc/30/05/88/277300588.db2.gz BUUFUTKQMRKTCT-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@@H]1C ZINC000183152467 277730640 /nfs/dbraw/zinc/73/06/40/277730640.db2.gz FQQGHPDJPPJOIQ-MDZRGWNJSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000356147178 277893341 /nfs/dbraw/zinc/89/33/41/277893341.db2.gz BXPOLFJNMLITHI-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831954 278021824 /nfs/dbraw/zinc/02/18/24/278021824.db2.gz QIXPNYOUCPAOJA-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831954 278021827 /nfs/dbraw/zinc/02/18/27/278021827.db2.gz QIXPNYOUCPAOJA-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831954 278021829 /nfs/dbraw/zinc/02/18/29/278021829.db2.gz QIXPNYOUCPAOJA-QRFRQXIXSA-N 1 3 331.504 2.904 20 0 EFADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248396897 278160079 /nfs/dbraw/zinc/16/00/79/278160079.db2.gz HMUQZXXFLVKIPR-CJSSEVFESA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248396897 278160080 /nfs/dbraw/zinc/16/00/80/278160080.db2.gz HMUQZXXFLVKIPR-CJSSEVFESA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248396897 278160082 /nfs/dbraw/zinc/16/00/82/278160082.db2.gz HMUQZXXFLVKIPR-CJSSEVFESA-N 1 3 348.556 2.989 20 0 EFADHO C[C@H](CCNC(=O)N1CCN(C)CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351896604 278173168 /nfs/dbraw/zinc/17/31/68/278173168.db2.gz NYHSQBBMLAAVTK-QZTJIDSGSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCN(C)CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351896604 278173169 /nfs/dbraw/zinc/17/31/69/278173169.db2.gz NYHSQBBMLAAVTK-QZTJIDSGSA-N 1 3 346.519 2.633 20 0 EFADHO CC1(C)CC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000341254047 278190001 /nfs/dbraw/zinc/19/00/01/278190001.db2.gz BPCWIQYHMVWBBH-MRXNPFEDSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](COCC(F)(F)F)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422944669 278213668 /nfs/dbraw/zinc/21/36/68/278213668.db2.gz LWBALAPHAJHLIT-IVMMDQJWSA-N 1 3 344.377 2.799 20 0 EFADHO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000342421310 278220141 /nfs/dbraw/zinc/22/01/41/278220141.db2.gz REWZMRQZVGHWIV-OAHLLOKOSA-N 1 3 331.435 2.882 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1F ZINC000414181746 288037728 /nfs/dbraw/zinc/03/77/28/288037728.db2.gz CIQHHFGSALRZOO-IBGZPJMESA-N 1 3 349.494 2.663 20 0 EFADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000449224339 278580225 /nfs/dbraw/zinc/58/02/25/278580225.db2.gz LLGQUUAHEUVVHB-MDZRGWNJSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)CC1 ZINC000418683072 278709293 /nfs/dbraw/zinc/70/92/93/278709293.db2.gz FWJDXHANQMMRJC-WWDZGPRUSA-N 1 3 338.540 2.656 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000190504069 278744427 /nfs/dbraw/zinc/74/44/27/278744427.db2.gz NTZMYOKHTYXBAV-HLIPFELVSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000443635884 288077906 /nfs/dbraw/zinc/07/79/06/288077906.db2.gz ZKHSBQSXGHGAFA-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000443635884 288077909 /nfs/dbraw/zinc/07/79/09/288077909.db2.gz ZKHSBQSXGHGAFA-KZNAEPCWSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NCC(C)(C)C[NH+](C)C ZINC000132101176 533691336 /nfs/dbraw/zinc/69/13/36/533691336.db2.gz NJPFTPKCMRJXJQ-GFCCVEGCSA-N 1 3 326.872 2.630 20 0 EFADHO CC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000302953926 279030249 /nfs/dbraw/zinc/03/02/49/279030249.db2.gz DQJBQHBLJNEDLU-LJQANCHMSA-N 1 3 346.519 2.711 20 0 EFADHO CC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000302953926 279030251 /nfs/dbraw/zinc/03/02/51/279030251.db2.gz DQJBQHBLJNEDLU-LJQANCHMSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000350947361 279080280 /nfs/dbraw/zinc/08/02/80/279080280.db2.gz FMXIQFKIXWFROO-IBGZPJMESA-N 1 3 331.504 2.870 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCOCC1 ZINC000422806246 279164693 /nfs/dbraw/zinc/16/46/93/279164693.db2.gz NEGDGNXQYQYWCW-NJYVYQBISA-N 1 3 345.531 2.816 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000102563129 279199001 /nfs/dbraw/zinc/19/90/01/279199001.db2.gz KPYUZOMTRKUANY-SFHVURJKSA-N 1 3 334.508 2.627 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000102563129 279199002 /nfs/dbraw/zinc/19/90/02/279199002.db2.gz KPYUZOMTRKUANY-SFHVURJKSA-N 1 3 334.508 2.627 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1)C1CC1 ZINC000354947464 279234650 /nfs/dbraw/zinc/23/46/50/279234650.db2.gz FPQAPRVHYQPRJV-KRWDZBQOSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1)C1CC1 ZINC000354947464 279234652 /nfs/dbraw/zinc/23/46/52/279234652.db2.gz FPQAPRVHYQPRJV-KRWDZBQOSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418701689 279235674 /nfs/dbraw/zinc/23/56/74/279235674.db2.gz PWAQBGWSXIZHFX-MRXNPFEDSA-N 1 3 334.508 2.797 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000351815337 279266045 /nfs/dbraw/zinc/26/60/45/279266045.db2.gz SNRNUOWHWFBQGA-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000351815337 279266047 /nfs/dbraw/zinc/26/60/47/279266047.db2.gz SNRNUOWHWFBQGA-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246777784 279271144 /nfs/dbraw/zinc/27/11/44/279271144.db2.gz ZCQAYVUJFCPKIF-UHOSZYNNSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246777784 279271145 /nfs/dbraw/zinc/27/11/45/279271145.db2.gz ZCQAYVUJFCPKIF-UHOSZYNNSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000101975468 279357455 /nfs/dbraw/zinc/35/74/55/279357455.db2.gz GJFDZOAPFLINDM-OAHLLOKOSA-N 1 3 338.521 2.524 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000101975468 279357456 /nfs/dbraw/zinc/35/74/56/279357456.db2.gz GJFDZOAPFLINDM-OAHLLOKOSA-N 1 3 338.521 2.524 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCN2CC=C(C)CC2)CC1 ZINC000358166508 279375662 /nfs/dbraw/zinc/37/56/62/279375662.db2.gz LYSKSVLWTRDYTM-UHFFFAOYSA-N 1 3 342.531 2.570 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000357747551 279380352 /nfs/dbraw/zinc/38/03/52/279380352.db2.gz MGMWFPVNUZUDRU-IRXDYDNUSA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000357747551 279380355 /nfs/dbraw/zinc/38/03/55/279380355.db2.gz MGMWFPVNUZUDRU-IRXDYDNUSA-N 1 3 334.508 2.535 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416788519 279402916 /nfs/dbraw/zinc/40/29/16/279402916.db2.gz BPLOQNWHMHDHPJ-LPHOPBHVSA-N 1 3 344.503 2.562 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+](CC)CC ZINC000359674217 280067593 /nfs/dbraw/zinc/06/75/93/280067593.db2.gz DMEUJGZWJWLCIS-OALUTQOASA-N 1 3 331.504 2.840 20 0 EFADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1)N1CCCC1 ZINC000423092961 280098916 /nfs/dbraw/zinc/09/89/16/280098916.db2.gz FBIPNSNEEIXHCC-ICBNADEASA-N 1 3 333.520 2.678 20 0 EFADHO O=C([C@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000342709454 280132524 /nfs/dbraw/zinc/13/25/24/280132524.db2.gz OKWOJBOSWUEUMY-PZJWPPBQSA-N 1 3 341.499 2.501 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705524 280182070 /nfs/dbraw/zinc/18/20/70/280182070.db2.gz LKNGOVQLOQKTMP-FCGDIQPGSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705524 280182072 /nfs/dbraw/zinc/18/20/72/280182072.db2.gz LKNGOVQLOQKTMP-FCGDIQPGSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000338016453 288217793 /nfs/dbraw/zinc/21/77/93/288217793.db2.gz MAYDTQDTSLRVJS-BTHPGYMESA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000338016453 288217794 /nfs/dbraw/zinc/21/77/94/288217794.db2.gz MAYDTQDTSLRVJS-BTHPGYMESA-N 1 3 341.499 2.640 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000353466671 280574767 /nfs/dbraw/zinc/57/47/67/280574767.db2.gz IMUOLUQUEGCKQN-HSALFYBXSA-N 1 3 343.515 2.964 20 0 EFADHO CC[C@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@H](O)C(C)C ZINC000414527682 280946989 /nfs/dbraw/zinc/94/69/89/280946989.db2.gz NGANXOXMLYUIIH-AZUAARDMSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366902998 281047247 /nfs/dbraw/zinc/04/72/47/281047247.db2.gz MCWRXSOBQKJHQA-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000111881082 281073848 /nfs/dbraw/zinc/07/38/48/281073848.db2.gz NZVVYWSYMMQYIH-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](N(C)C)C2)C1 ZINC000111881082 281073850 /nfs/dbraw/zinc/07/38/50/281073850.db2.gz NZVVYWSYMMQYIH-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261548904 281824735 /nfs/dbraw/zinc/82/47/35/281824735.db2.gz JYJYPWWOGBRNRO-MSOLQXFVSA-N 1 3 329.488 2.627 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000165730586 281833706 /nfs/dbraw/zinc/83/37/06/281833706.db2.gz JQZIIZOYQBLKKZ-MOPGFXCFSA-N 1 3 329.488 2.718 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000346821753 282010660 /nfs/dbraw/zinc/01/06/60/282010660.db2.gz OFGYVTPRQLEAOE-HNNXBMFYSA-N 1 3 341.565 2.631 20 0 EFADHO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370638224 282036789 /nfs/dbraw/zinc/03/67/89/282036789.db2.gz WTLKGJMGMIMLKK-PBHICJAKSA-N 1 3 334.533 2.587 20 0 EFADHO CN(C)[C@@H](CC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000416209017 282066415 /nfs/dbraw/zinc/06/64/15/282066415.db2.gz ZUCWWCILQSFMPU-SFHVURJKSA-N 1 3 331.504 2.918 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N(C)C)cc1 ZINC000236980320 288562624 /nfs/dbraw/zinc/56/26/24/288562624.db2.gz KROGVCVNQUHEMX-PMACEKPBSA-N 1 3 339.483 2.710 20 0 EFADHO CN(C(=O)c1cccc(CN2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000413022788 288923311 /nfs/dbraw/zinc/92/33/11/288923311.db2.gz GGQLWZGCIVLITD-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418651115 289147340 /nfs/dbraw/zinc/14/73/40/289147340.db2.gz XYSWVFDCSNRKHF-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000339402904 289282200 /nfs/dbraw/zinc/28/22/00/289282200.db2.gz MNIGXIXJBJDTPJ-SFHVURJKSA-N 1 3 346.519 2.853 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000105068701 289292200 /nfs/dbraw/zinc/29/22/00/289292200.db2.gz WMNCJVMHVYWGEP-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726809 289356028 /nfs/dbraw/zinc/35/60/28/289356028.db2.gz IJXUDEJUCKKBMY-RMJJICAUSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000248726809 289356029 /nfs/dbraw/zinc/35/60/29/289356029.db2.gz IJXUDEJUCKKBMY-RMJJICAUSA-N 1 3 343.515 2.886 20 0 EFADHO C[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@H]21 ZINC000375803624 290219552 /nfs/dbraw/zinc/21/95/52/290219552.db2.gz DLKXDAIAKFUCJI-LTIDMASMSA-N 1 3 337.508 2.752 20 0 EFADHO C[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@H]21 ZINC000375803624 290219555 /nfs/dbraw/zinc/21/95/55/290219555.db2.gz DLKXDAIAKFUCJI-LTIDMASMSA-N 1 3 337.508 2.752 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000439762100 290273839 /nfs/dbraw/zinc/27/38/39/290273839.db2.gz AHNCZFJFABCOEY-IXDOHACOSA-N 1 3 344.503 2.596 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000439762100 290273843 /nfs/dbraw/zinc/27/38/43/290273843.db2.gz AHNCZFJFABCOEY-IXDOHACOSA-N 1 3 344.503 2.596 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890926 290390947 /nfs/dbraw/zinc/39/09/47/290390947.db2.gz PHTSENMNOLWAJR-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC2CCN(C)CC2)C1 ZINC000365890926 290390949 /nfs/dbraw/zinc/39/09/49/290390949.db2.gz PHTSENMNOLWAJR-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N(CCN(C)C)C2CCCC2)CC1 ZINC000123206966 292976467 /nfs/dbraw/zinc/97/64/67/292976467.db2.gz HMDOTTSHDHMTOY-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854581 293018422 /nfs/dbraw/zinc/01/84/22/293018422.db2.gz IQVCHZOOQVDFLW-KBPBESRZSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854581 293018426 /nfs/dbraw/zinc/01/84/26/293018426.db2.gz IQVCHZOOQVDFLW-KBPBESRZSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)Cn2cc(Br)cn2)C1 ZINC000125854581 293018430 /nfs/dbraw/zinc/01/84/30/293018430.db2.gz IQVCHZOOQVDFLW-KBPBESRZSA-N 1 3 343.313 2.744 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000127473060 293071193 /nfs/dbraw/zinc/07/11/93/293071193.db2.gz QFGIHYIRDBQTLU-UHFFFAOYSA-N 1 3 334.439 2.506 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127736399 293079180 /nfs/dbraw/zinc/07/91/80/293079180.db2.gz BDQWBLVVZAQMCQ-BEFAXECRSA-N 1 3 330.451 2.874 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127736399 293079182 /nfs/dbraw/zinc/07/91/82/293079182.db2.gz BDQWBLVVZAQMCQ-BEFAXECRSA-N 1 3 330.451 2.874 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN([C@H](C)c2ccccn2)CC1 ZINC000128130272 293092576 /nfs/dbraw/zinc/09/25/76/293092576.db2.gz FUBIPFXPBPHRAC-QGZVFWFLSA-N 1 3 346.519 2.703 20 0 EFADHO C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000129034198 293121886 /nfs/dbraw/zinc/12/18/86/293121886.db2.gz QUQQRUSVWOAASA-QGZVFWFLSA-N 1 3 346.519 2.668 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271792 293128615 /nfs/dbraw/zinc/12/86/15/293128615.db2.gz SYLDYYCEXHZECS-CRAIPNDOSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271792 293128618 /nfs/dbraw/zinc/12/86/18/293128618.db2.gz SYLDYYCEXHZECS-CRAIPNDOSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1 ZINC000129858533 293145611 /nfs/dbraw/zinc/14/56/11/293145611.db2.gz NWUYGZTVYREPRV-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1 ZINC000129858533 293145613 /nfs/dbraw/zinc/14/56/13/293145613.db2.gz NWUYGZTVYREPRV-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)CC1 ZINC000130993021 293184204 /nfs/dbraw/zinc/18/42/04/293184204.db2.gz XZQDNKLWFRMJKU-UHFFFAOYSA-N 1 3 338.455 2.540 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCN(C)C)cc2)C1 ZINC000133418832 293256644 /nfs/dbraw/zinc/25/66/44/293256644.db2.gz AFQIKJSIRQQBHZ-IAGOWNOFSA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000151873803 293306497 /nfs/dbraw/zinc/30/64/97/293306497.db2.gz LKJHWLOTNXQXKZ-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000151873803 293306499 /nfs/dbraw/zinc/30/64/99/293306499.db2.gz LKJHWLOTNXQXKZ-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@H](O)C(C)C)CC1 ZINC000152280179 293326202 /nfs/dbraw/zinc/32/62/02/293326202.db2.gz XYEBGWYBICLQPK-FQEVSTJZSA-N 1 3 333.520 2.715 20 0 EFADHO CC1CCN(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000154070979 293408072 /nfs/dbraw/zinc/40/80/72/293408072.db2.gz YBPWVLAUZNPPDT-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154423856 293425844 /nfs/dbraw/zinc/42/58/44/293425844.db2.gz RKKNKZQWLDYNFH-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370638227 293432504 /nfs/dbraw/zinc/43/25/04/293432504.db2.gz WTLKGJMGMIMLKK-YOEHRIQHSA-N 1 3 334.533 2.587 20 0 EFADHO Cc1nnc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)s1 ZINC000289811253 293916995 /nfs/dbraw/zinc/91/69/95/293916995.db2.gz ONSYKQGCERUIMU-CYBMUJFWSA-N 1 3 334.489 2.680 20 0 EFADHO CCO[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C12CCC2 ZINC000290018509 293977037 /nfs/dbraw/zinc/97/70/37/293977037.db2.gz CAZWLDHYWGAOMG-OALUTQOASA-N 1 3 347.503 2.849 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000290101878 294000131 /nfs/dbraw/zinc/00/01/31/294000131.db2.gz JYNNRMWRHTVUPM-UFYCRDLUSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290101876 294000146 /nfs/dbraw/zinc/00/01/46/294000146.db2.gz JYNNRMWRHTVUPM-AQNXPRMDSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290104980 294000546 /nfs/dbraw/zinc/00/05/46/294000546.db2.gz XXMMTMRLJWVAHL-KVPLUYHFSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1ccncc1CCCNCc1ccncc1OCCC[NH+](C)C ZINC000290162984 294015044 /nfs/dbraw/zinc/01/50/44/294015044.db2.gz MCDIXPCODCWWIJ-UHFFFAOYSA-N 1 3 342.487 2.838 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290191904 294022871 /nfs/dbraw/zinc/02/28/71/294022871.db2.gz OIHFAPYQTNDATM-CGTJXYLNSA-N 1 3 331.504 2.866 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000290191923 294023357 /nfs/dbraw/zinc/02/33/57/294023357.db2.gz OIHFAPYQTNDATM-SZMVWBNQSA-N 1 3 331.504 2.866 20 0 EFADHO CCO[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000290254554 294040173 /nfs/dbraw/zinc/04/01/73/294040173.db2.gz KBKZSYWQCDURPZ-ROUUACIJSA-N 1 3 335.492 2.705 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000290347802 294063182 /nfs/dbraw/zinc/06/31/82/294063182.db2.gz LPZUNYJLCXSWRM-NJAFHUGGSA-N 1 3 344.455 2.527 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000290347802 294063184 /nfs/dbraw/zinc/06/31/84/294063184.db2.gz LPZUNYJLCXSWRM-NJAFHUGGSA-N 1 3 344.455 2.527 20 0 EFADHO COCOc1ccc(OC)cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290375651 294069914 /nfs/dbraw/zinc/06/99/14/294069914.db2.gz HUFGHZIJSYXUEU-KRWDZBQOSA-N 1 3 348.487 2.842 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccncc2)n1 ZINC000290375335 294069938 /nfs/dbraw/zinc/06/99/38/294069938.db2.gz HRWMKEVDFONNRX-SFHVURJKSA-N 1 3 339.487 2.646 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2ccncc2)n1 ZINC000290375335 294069944 /nfs/dbraw/zinc/06/99/44/294069944.db2.gz HRWMKEVDFONNRX-SFHVURJKSA-N 1 3 339.487 2.646 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290404751 294078188 /nfs/dbraw/zinc/07/81/88/294078188.db2.gz PPRARLDAFAKFDT-RYQLBKOJSA-N 1 3 346.471 2.918 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290441219 294087700 /nfs/dbraw/zinc/08/77/00/294087700.db2.gz SGEQLHCVGFWOPX-CYGHRXIMSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290441219 294087701 /nfs/dbraw/zinc/08/77/01/294087701.db2.gz SGEQLHCVGFWOPX-CYGHRXIMSA-N 1 3 344.455 2.527 20 0 EFADHO COC1(C[C@@H](C)NCc2ccncc2OCCC[NH+](C)C)CCC1 ZINC000290441630 294087799 /nfs/dbraw/zinc/08/77/99/294087799.db2.gz VPYQFNLFSAKLCO-MRXNPFEDSA-N 1 3 335.492 2.849 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290441229 294087984 /nfs/dbraw/zinc/08/79/84/294087984.db2.gz SGEQLHCVGFWOPX-MXSMSXNCSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290441229 294087988 /nfs/dbraw/zinc/08/79/88/294087988.db2.gz SGEQLHCVGFWOPX-MXSMSXNCSA-N 1 3 344.455 2.527 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000290487605 294099547 /nfs/dbraw/zinc/09/95/47/294099547.db2.gz VRGSRUXFVJKMDU-QZTJIDSGSA-N 1 3 344.455 2.672 20 0 EFADHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515057 294107315 /nfs/dbraw/zinc/10/73/15/294107315.db2.gz PUVAOYTUCOXPBG-HKUYNNGSSA-N 1 3 327.472 2.512 20 0 EFADHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515057 294107318 /nfs/dbraw/zinc/10/73/18/294107318.db2.gz PUVAOYTUCOXPBG-HKUYNNGSSA-N 1 3 327.472 2.512 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290563517 294121080 /nfs/dbraw/zinc/12/10/80/294121080.db2.gz SLQQOXLQWDCMBN-VDZJLULYSA-N 1 3 346.471 2.543 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)cc1 ZINC000290563517 294121084 /nfs/dbraw/zinc/12/10/84/294121084.db2.gz SLQQOXLQWDCMBN-VDZJLULYSA-N 1 3 346.471 2.543 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(Br)nc1 ZINC000290594228 294130141 /nfs/dbraw/zinc/13/01/41/294130141.db2.gz GRTWPBKKMBXMDN-JSGCOSHPSA-N 1 3 344.297 2.852 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000290635339 294142153 /nfs/dbraw/zinc/14/21/53/294142153.db2.gz YFKCIZWDQYCIRJ-IBGZPJMESA-N 1 3 343.515 2.687 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000290635339 294142157 /nfs/dbraw/zinc/14/21/57/294142157.db2.gz YFKCIZWDQYCIRJ-IBGZPJMESA-N 1 3 343.515 2.687 20 0 EFADHO COc1cc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000290637213 294142879 /nfs/dbraw/zinc/14/28/79/294142879.db2.gz YGNPTDSXGAULES-KRWDZBQOSA-N 1 3 348.487 2.876 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000290637238 294143014 /nfs/dbraw/zinc/14/30/14/294143014.db2.gz YGQYEKNVFGGXIK-IBGZPJMESA-N 1 3 339.487 2.739 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)ccc1-n1cncn1 ZINC000290637238 294143016 /nfs/dbraw/zinc/14/30/16/294143016.db2.gz YGQYEKNVFGGXIK-IBGZPJMESA-N 1 3 339.487 2.739 20 0 EFADHO CSC1(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCC1 ZINC000290892131 294213712 /nfs/dbraw/zinc/21/37/12/294213712.db2.gz NBQGYCJHYJKXKK-UHFFFAOYSA-N 1 3 333.545 2.809 20 0 EFADHO CN1CCC(CC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000291422464 294376962 /nfs/dbraw/zinc/37/69/62/294376962.db2.gz DMGGDLWHSRPWRM-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO CCN(CC)C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291482170 294393404 /nfs/dbraw/zinc/39/34/04/294393404.db2.gz RETQNYCASVDQIL-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000292079786 294572594 /nfs/dbraw/zinc/57/25/94/294572594.db2.gz LZMJRDWRSISOPW-QZTJIDSGSA-N 1 3 345.531 2.963 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NCC1CCN(Cc2cccs2)CC1 ZINC000292125934 294587682 /nfs/dbraw/zinc/58/76/82/294587682.db2.gz QXOUEJIAMDOSMZ-INIZCTEOSA-N 1 3 335.517 2.609 20 0 EFADHO O=C1COc2ccc(CNCCCCC[NH+]3CCCCC3)cc2N1 ZINC000293583408 295004950 /nfs/dbraw/zinc/00/49/50/295004950.db2.gz JWXLQCUOJRWAEO-UHFFFAOYSA-N 1 3 331.460 2.763 20 0 EFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000293586874 295005259 /nfs/dbraw/zinc/00/52/59/295005259.db2.gz KECBFKQCHNLDJU-HRAATJIYSA-N 1 3 340.467 2.680 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293737359 295038411 /nfs/dbraw/zinc/03/84/11/295038411.db2.gz VJCYPPXUYXIKAB-HXUWFJFHSA-N 1 3 339.487 2.802 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000293737359 295038413 /nfs/dbraw/zinc/03/84/13/295038413.db2.gz VJCYPPXUYXIKAB-HXUWFJFHSA-N 1 3 339.487 2.802 20 0 EFADHO NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309136 295054150 /nfs/dbraw/zinc/05/41/50/295054150.db2.gz QLOVXQQORNNEDO-IBGZPJMESA-N 1 3 329.488 2.760 20 0 EFADHO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411309136 295054153 /nfs/dbraw/zinc/05/41/53/295054153.db2.gz QLOVXQQORNNEDO-IBGZPJMESA-N 1 3 329.488 2.760 20 0 EFADHO NC(=O)C[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309136 295054156 /nfs/dbraw/zinc/05/41/56/295054156.db2.gz QLOVXQQORNNEDO-IBGZPJMESA-N 1 3 329.488 2.760 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)CN(C)C ZINC000293833453 295059550 /nfs/dbraw/zinc/05/95/50/295059550.db2.gz WOJLALCIOSXUSQ-CABCVRRESA-N 1 3 339.911 2.864 20 0 EFADHO C[C@H](CN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1)C[NH+](C)C ZINC000293833453 295059552 /nfs/dbraw/zinc/05/95/52/295059552.db2.gz WOJLALCIOSXUSQ-CABCVRRESA-N 1 3 339.911 2.864 20 0 EFADHO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294343940 295150742 /nfs/dbraw/zinc/15/07/42/295150742.db2.gz YRJBJSQITZPFHD-UQNRQAKVSA-N 1 3 335.517 2.720 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC000294650402 295200903 /nfs/dbraw/zinc/20/09/03/295200903.db2.gz DJWVQIBYCWNBJN-KRWDZBQOSA-N 1 3 347.528 2.756 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@@H]2c2ccccc2)C1 ZINC000414717953 295216586 /nfs/dbraw/zinc/21/65/86/295216586.db2.gz ZZOKYEGCSSWPJH-IEBWSBKVSA-N 1 3 329.488 2.801 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2c2ccccc2)C1 ZINC000414717953 295216587 /nfs/dbraw/zinc/21/65/87/295216587.db2.gz ZZOKYEGCSSWPJH-IEBWSBKVSA-N 1 3 329.488 2.801 20 0 EFADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000294933236 295247696 /nfs/dbraw/zinc/24/76/96/295247696.db2.gz XRBZSSRYNGFAMW-LLVKDONJSA-N 1 3 345.306 2.544 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295008737 295257170 /nfs/dbraw/zinc/25/71/70/295257170.db2.gz LYHVQKQSWNEKIZ-CRAIPNDOSA-N 1 3 335.467 2.624 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000295104331 295268675 /nfs/dbraw/zinc/26/86/75/295268675.db2.gz VITBPFGGUAIRNC-LNRIEFBSSA-N 1 3 331.460 2.627 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295104331 295268676 /nfs/dbraw/zinc/26/86/76/295268676.db2.gz VITBPFGGUAIRNC-LNRIEFBSSA-N 1 3 331.460 2.627 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)CCCO2 ZINC000150950589 295270644 /nfs/dbraw/zinc/27/06/44/295270644.db2.gz ZMYSGMITJHNFGO-IBGZPJMESA-N 1 3 347.503 2.525 20 0 EFADHO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000295199681 295281111 /nfs/dbraw/zinc/28/11/11/295281111.db2.gz PAGAUKAEBZSCHV-HNNXBMFYSA-N 1 3 329.444 2.802 20 0 EFADHO Cc1cc(NC(=O)[C@H](C)NC2CC2)ccc1OCC[NH+]1CCCC1 ZINC000295215746 295283538 /nfs/dbraw/zinc/28/35/38/295283538.db2.gz QMVDBLYEPQUZRY-HNNXBMFYSA-N 1 3 331.460 2.549 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000295259660 295289122 /nfs/dbraw/zinc/28/91/22/295289122.db2.gz UZESCSBQJQWNMI-RTBURBONSA-N 1 3 325.456 2.669 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000295259657 295289139 /nfs/dbraw/zinc/28/91/39/295289139.db2.gz UZESCSBQJQWNMI-MOPGFXCFSA-N 1 3 325.456 2.669 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295334190 295302221 /nfs/dbraw/zinc/30/22/21/295302221.db2.gz ZRIDMPGEISZSJE-KRWDZBQOSA-N 1 3 348.487 2.730 20 0 EFADHO CC(C)N(CCO)Cc1cc(Cl)cc(C[N@H+](CCO)C(C)C)c1 ZINC000295453818 295323309 /nfs/dbraw/zinc/32/33/09/295323309.db2.gz HJMINAHOZFMCRG-UHFFFAOYSA-N 1 3 342.911 2.745 20 0 EFADHO CC(C)N(CCO)Cc1cc(Cl)cc(C[N@@H+](CCO)C(C)C)c1 ZINC000295453818 295323310 /nfs/dbraw/zinc/32/33/10/295323310.db2.gz HJMINAHOZFMCRG-UHFFFAOYSA-N 1 3 342.911 2.745 20 0 EFADHO Cc1cnccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000295501457 295331460 /nfs/dbraw/zinc/33/14/60/295331460.db2.gz UBOJJCIIXFYDMH-FQEVSTJZSA-N 1 3 325.456 2.637 20 0 EFADHO Cc1cnccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000295501457 295331461 /nfs/dbraw/zinc/33/14/61/295331461.db2.gz UBOJJCIIXFYDMH-FQEVSTJZSA-N 1 3 325.456 2.637 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000295689568 295361033 /nfs/dbraw/zinc/36/10/33/295361033.db2.gz LOLWUVZKRKXIEJ-IBGZPJMESA-N 1 3 344.499 2.835 20 0 EFADHO CS[C@H]1CN(CCN(C)Cc2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000295758660 295371920 /nfs/dbraw/zinc/37/19/20/295371920.db2.gz ORGAZPWLTBAMBC-MOPGFXCFSA-N 1 3 333.545 2.630 20 0 EFADHO CCn1cc([C@H](C)NC/C=C/C[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000296143408 295431021 /nfs/dbraw/zinc/43/10/21/295431021.db2.gz RZJMFGQYINKZQB-HABDOHHLSA-N 1 3 330.480 2.677 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000237465834 297257963 /nfs/dbraw/zinc/25/79/63/297257963.db2.gz AHZCIDWNXUHTGL-BPQIPLTHSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237465834 297257964 /nfs/dbraw/zinc/25/79/64/297257964.db2.gz AHZCIDWNXUHTGL-BPQIPLTHSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592489 300225588 /nfs/dbraw/zinc/22/55/88/300225588.db2.gz NGBWOHQVAZRYQF-DFQSSKMNSA-N 1 3 343.515 2.774 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000362592489 300225592 /nfs/dbraw/zinc/22/55/92/300225592.db2.gz NGBWOHQVAZRYQF-DFQSSKMNSA-N 1 3 343.515 2.774 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000120121384 301716710 /nfs/dbraw/zinc/71/67/10/301716710.db2.gz SQCAEBRSOSKJLA-UYAOXDASSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N2CCCC2)cc1 ZINC000339258083 301792784 /nfs/dbraw/zinc/79/27/84/301792784.db2.gz ZJFAZTLKSIVETJ-IBGZPJMESA-N 1 3 341.499 2.877 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)N2CCCC2)cc1 ZINC000342699860 301796855 /nfs/dbraw/zinc/79/68/55/301796855.db2.gz WECZSUHGGNLSTO-NEWSRXKRSA-N 1 3 329.488 2.636 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N(C)C ZINC000352901921 302200778 /nfs/dbraw/zinc/20/07/78/302200778.db2.gz MOJBTXDKRDXANA-MDZRGWNJSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000352901921 302200779 /nfs/dbraw/zinc/20/07/79/302200779.db2.gz MOJBTXDKRDXANA-MDZRGWNJSA-N 1 3 346.519 2.768 20 0 EFADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000422864426 303113807 /nfs/dbraw/zinc/11/38/07/303113807.db2.gz VBNMQNCPLIGCAH-ARFHVFGLSA-N 1 3 333.442 2.914 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000414758113 303365739 /nfs/dbraw/zinc/36/57/39/303365739.db2.gz BXVGHCWQJOTSRI-RSPOEFSDSA-N 1 3 341.499 2.594 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000414758113 303365742 /nfs/dbraw/zinc/36/57/42/303365742.db2.gz BXVGHCWQJOTSRI-RSPOEFSDSA-N 1 3 341.499 2.594 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416783894 303398855 /nfs/dbraw/zinc/39/88/55/303398855.db2.gz ICMGIEVPZSSSRT-GBESFXJTSA-N 1 3 344.503 2.640 20 0 EFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262022713 303787061 /nfs/dbraw/zinc/78/70/61/303787061.db2.gz AQOLDEUQEPSGJJ-TXPKVOOTSA-N 1 3 347.528 2.781 20 0 EFADHO CC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000134583045 310643822 /nfs/dbraw/zinc/64/38/22/310643822.db2.gz KDHFKXYEKSKLCN-UYAOXDASSA-N 1 3 329.488 2.780 20 0 EFADHO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297780279 310929114 /nfs/dbraw/zinc/92/91/14/310929114.db2.gz WCTSQSXHNZEZLN-UHFFFAOYSA-N 1 3 327.476 2.699 20 0 EFADHO CC(C)OCCN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000297812527 310931963 /nfs/dbraw/zinc/93/19/63/310931963.db2.gz YGSWZVMANANFOP-UHFFFAOYSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000298282752 310974950 /nfs/dbraw/zinc/97/49/50/310974950.db2.gz GWWMHBRRSRMTDQ-KUHUBIRLSA-N 1 3 329.419 2.901 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000298561818 311003269 /nfs/dbraw/zinc/00/32/69/311003269.db2.gz JSHDXFKTZRYMOP-BBWFWOEESA-N 1 3 331.504 2.779 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000298561818 311003270 /nfs/dbraw/zinc/00/32/70/311003270.db2.gz JSHDXFKTZRYMOP-BBWFWOEESA-N 1 3 331.504 2.779 20 0 EFADHO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)CCO1 ZINC000298565948 311003891 /nfs/dbraw/zinc/00/38/91/311003891.db2.gz WPHXOWZDUNGQHO-KRWDZBQOSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]1CN(Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)CCO1 ZINC000298565948 311003892 /nfs/dbraw/zinc/00/38/92/311003892.db2.gz WPHXOWZDUNGQHO-KRWDZBQOSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000298648008 311010831 /nfs/dbraw/zinc/01/08/31/311010831.db2.gz LRJDNWSIZGFQSI-LJQANCHMSA-N 1 3 346.519 2.709 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2cc1OC ZINC000299068199 311047360 /nfs/dbraw/zinc/04/73/60/311047360.db2.gz VIIOWQFMHRQJPC-GUYCJALGSA-N 1 3 327.428 2.782 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2cc1OC ZINC000299068199 311047362 /nfs/dbraw/zinc/04/73/62/311047362.db2.gz VIIOWQFMHRQJPC-GUYCJALGSA-N 1 3 327.428 2.782 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N1CCN(CC(C)(C)O)CC1 ZINC000302051388 311174779 /nfs/dbraw/zinc/17/47/79/311174779.db2.gz OUNVGDWNPXNHPS-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000310419096 311229443 /nfs/dbraw/zinc/22/94/43/311229443.db2.gz NRKVZAMCWMTTNX-HKUYNNGSSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CNCc3ccccc32)([NH+](C)C)C1 ZINC000325685964 311243403 /nfs/dbraw/zinc/24/34/03/311243403.db2.gz ODISOWHWTHBTRI-ZTNFWEORSA-N 1 3 329.488 2.500 20 0 EFADHO CC1(C)Cc2occc2[C@@H](N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000333242208 311588618 /nfs/dbraw/zinc/58/86/18/311588618.db2.gz FCRQECMTHLDSSF-GJYPPUQNSA-N 1 3 345.487 2.530 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333343179 311601748 /nfs/dbraw/zinc/60/17/48/311601748.db2.gz YOIALCDMRXZFAX-IVSQAGSJSA-N 1 3 327.472 2.926 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)n[nH]1 ZINC000333825386 311664312 /nfs/dbraw/zinc/66/43/12/311664312.db2.gz LNDFJLHETLAMQV-RCCFBDPRSA-N 1 3 331.508 2.587 20 0 EFADHO OC[C@H]([NH2+]Cc1cccc(CN2CCCCC2)c1)C1CCOCC1 ZINC000411506975 311979771 /nfs/dbraw/zinc/97/97/71/311979771.db2.gz QXNDSGZWDZZVNR-FQEVSTJZSA-N 1 3 332.488 2.550 20 0 EFADHO CC[C@@H]1CCC[C@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414491456 312049809 /nfs/dbraw/zinc/04/98/09/312049809.db2.gz ZCINCIXXECKJCF-MOPGFXCFSA-N 1 3 337.552 2.589 20 0 EFADHO COc1cc(Br)ccc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774616 312052432 /nfs/dbraw/zinc/05/24/32/312052432.db2.gz YPVJVWIOIFZUKA-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414775717 312052836 /nfs/dbraw/zinc/05/28/36/312052836.db2.gz GNANXDGKRPJVDY-IRXDYDNUSA-N 1 3 328.435 2.833 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])ccc1OCC(F)(F)F ZINC000414804244 312053765 /nfs/dbraw/zinc/05/37/65/312053765.db2.gz OLPLPZQRUUDQDT-OLZOCXBDSA-N 1 3 332.366 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H]1CCC[NH2+]C1 ZINC000414831029 312055494 /nfs/dbraw/zinc/05/54/94/312055494.db2.gz PEECLWJDBBWFSD-STQMWFEESA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000414831029 312055496 /nfs/dbraw/zinc/05/54/96/312055496.db2.gz PEECLWJDBBWFSD-STQMWFEESA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(OCc2ccccn2)c(CNCC[C@@H]2CC[NH2+]C2)c1 ZINC000414833805 312055728 /nfs/dbraw/zinc/05/57/28/312055728.db2.gz QGVNWXYTDBNLOE-INIZCTEOSA-N 1 3 341.455 2.758 20 0 EFADHO Cn1c(CNCC[C@@H]2CC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414835922 312056308 /nfs/dbraw/zinc/05/63/08/312056308.db2.gz SCRBVOWPPNCOAQ-NSHDSACASA-N 1 3 326.366 2.681 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414837640 312056860 /nfs/dbraw/zinc/05/68/60/312056860.db2.gz KQAMNEJAFNLNCO-RYUDHWBXSA-N 1 3 327.856 2.511 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000414843892 312057454 /nfs/dbraw/zinc/05/74/54/312057454.db2.gz OZDQFGOIGFWWQJ-AWEZNQCLSA-N 1 3 349.475 2.672 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414940959 312067906 /nfs/dbraw/zinc/06/79/06/312067906.db2.gz CDAPODXLMOMHKK-FMKPAKJESA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414940959 312067907 /nfs/dbraw/zinc/06/79/07/312067907.db2.gz CDAPODXLMOMHKK-FMKPAKJESA-N 1 3 337.895 2.807 20 0 EFADHO CCOc1c(Cl)cccc1CNCC1(COC)CC[NH2+]CC1 ZINC000414981928 312070961 /nfs/dbraw/zinc/07/09/61/312070961.db2.gz XUWOWAFCTMVUSF-UHFFFAOYSA-N 1 3 326.868 2.845 20 0 EFADHO CCCc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414994503 312073302 /nfs/dbraw/zinc/07/33/02/312073302.db2.gz VIWXCEDCGONZKG-MRXNPFEDSA-N 1 3 329.410 2.565 20 0 EFADHO COc1sc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000415000588 312075351 /nfs/dbraw/zinc/07/53/51/312075351.db2.gz BIDLPESWVORYMJ-WCQYABFASA-N 1 3 345.306 2.997 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415003680 312075769 /nfs/dbraw/zinc/07/57/69/312075769.db2.gz NNAXMGHLBIDUGP-TZMCWYRMSA-N 1 3 344.908 2.741 20 0 EFADHO C[C@H](CCCC[NH3+])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000415009225 312076664 /nfs/dbraw/zinc/07/66/64/312076664.db2.gz FBZTXIVHGMKHOQ-LLVKDONJSA-N 1 3 325.819 2.667 20 0 EFADHO C[C@@H](CCCC[NH3+])NCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000415009226 312076843 /nfs/dbraw/zinc/07/68/43/312076843.db2.gz FBZTXIVHGMKHOQ-NSHDSACASA-N 1 3 325.819 2.667 20 0 EFADHO COc1ccc(OC(F)F)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415012340 312077328 /nfs/dbraw/zinc/07/73/28/312077328.db2.gz SIWVLTSZJVUDRW-LSDHHAIUSA-N 1 3 326.387 2.774 20 0 EFADHO [NH3+]C[C@H]1CC[C@@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415035125 312080738 /nfs/dbraw/zinc/08/07/38/312080738.db2.gz KNXXJRSISHKZFL-WCQYABFASA-N 1 3 331.441 2.756 20 0 EFADHO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415044658 312082676 /nfs/dbraw/zinc/08/26/76/312082676.db2.gz ATTWAZUOYYOOSS-QFBILLFUSA-N 1 3 346.496 2.919 20 0 EFADHO COc1ccc(OCc2nc(CN[C@@H]3CC[C@H](C[NH3+])C3)cs2)cc1 ZINC000415043807 312082720 /nfs/dbraw/zinc/08/27/20/312082720.db2.gz SAWOMCIEOHXRJQ-UONOGXRCSA-N 1 3 347.484 2.948 20 0 EFADHO C[C@H](C[NH2+]C[C@@H]1CNCCCO1)c1cccc(Br)c1 ZINC000415045790 312083134 /nfs/dbraw/zinc/08/31/34/312083134.db2.gz UMXBZHNVBTUEJT-DOMZBBRYSA-N 1 3 327.266 2.521 20 0 EFADHO COc1cc(Br)c(CN[C@@H](C)CCC[NH3+])cc1OC ZINC000415056787 312084835 /nfs/dbraw/zinc/08/48/35/312084835.db2.gz HDAQUVOILYETDO-JTQLQIEISA-N 1 3 331.254 2.683 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000415058709 312085268 /nfs/dbraw/zinc/08/52/68/312085268.db2.gz WBVPXBDWKWAAMF-PKOBYXMFSA-N 1 3 325.460 2.540 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCC2)c(OC)c1 ZINC000415065330 312087167 /nfs/dbraw/zinc/08/71/67/312087167.db2.gz MOYUVLLPZNZZPZ-GUYCJALGSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NCCC[NH2+]C1CC1 ZINC000415072588 312087898 /nfs/dbraw/zinc/08/78/98/312087898.db2.gz WZXWUISPDCYIIQ-LBPRGKRZSA-N 1 3 339.867 2.797 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCNC1CC1 ZINC000415072588 312087900 /nfs/dbraw/zinc/08/79/00/312087900.db2.gz WZXWUISPDCYIIQ-LBPRGKRZSA-N 1 3 339.867 2.797 20 0 EFADHO C[C@@H](C[C@@H]1CCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415074274 312088224 /nfs/dbraw/zinc/08/82/24/312088224.db2.gz CENHLILSQBQLSY-HOCLYGCPSA-N 1 3 333.451 2.551 20 0 EFADHO CCc1ccccc1[C@@H]([NH3+])CNCc1cn(-c2ccncc2)nc1C ZINC000415073440 312088457 /nfs/dbraw/zinc/08/84/57/312088457.db2.gz ZFNKQNUPWWLSLF-FQEVSTJZSA-N 1 3 335.455 2.928 20 0 EFADHO CCc1ccccc1[C@@H](N)C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000415073440 312088459 /nfs/dbraw/zinc/08/84/59/312088459.db2.gz ZFNKQNUPWWLSLF-FQEVSTJZSA-N 1 3 335.455 2.928 20 0 EFADHO CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415077723 312088631 /nfs/dbraw/zinc/08/86/31/312088631.db2.gz HYJNNCVTXJXSKT-CABCVRRESA-N 1 3 335.517 2.647 20 0 EFADHO CC(C)(C)[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000415081318 312089575 /nfs/dbraw/zinc/08/95/75/312089575.db2.gz MQXJIOXELVYCOZ-KDOFPFPSSA-N 1 3 335.467 2.700 20 0 EFADHO CC(C)(C)[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000415081323 312089813 /nfs/dbraw/zinc/08/98/13/312089813.db2.gz MQXJIOXELVYCOZ-RDTXWAMCSA-N 1 3 335.467 2.700 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)COc2ccccc21 ZINC000415082431 312089920 /nfs/dbraw/zinc/08/99/20/312089920.db2.gz OISRQVHCTABBHB-IAGOWNOFSA-N 1 3 345.487 2.703 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)COc2ccccc21 ZINC000415082434 312090098 /nfs/dbraw/zinc/09/00/98/312090098.db2.gz OISRQVHCTABBHB-IRXDYDNUSA-N 1 3 345.487 2.703 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1cccc(Cl)c1Cl ZINC000415083429 312090398 /nfs/dbraw/zinc/09/03/98/312090398.db2.gz FHZMLMDVCROQNB-VXGBXAGGSA-N 1 3 344.286 2.841 20 0 EFADHO CCC(CC)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415085058 312091030 /nfs/dbraw/zinc/09/10/30/312091030.db2.gz QEJYTHBNXUXKJI-JXFKEZNVSA-N 1 3 331.504 2.951 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000415088236 312091213 /nfs/dbraw/zinc/09/12/13/312091213.db2.gz VXBOGCZQPIZCBD-CEXWTWQISA-N 1 3 331.504 2.637 20 0 EFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415088871 312091268 /nfs/dbraw/zinc/09/12/68/312091268.db2.gz YDQZAQSNKDILAX-NJDAHSKKSA-N 1 3 343.515 2.529 20 0 EFADHO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415088500 312091373 /nfs/dbraw/zinc/09/13/73/312091373.db2.gz VFHBCQSUPIQXNK-GUYCJALGSA-N 1 3 339.430 2.593 20 0 EFADHO CCC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415088488 312091432 /nfs/dbraw/zinc/09/14/32/312091432.db2.gz VFHBCQSUPIQXNK-CXAGYDPISA-N 1 3 339.430 2.593 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(N2CCOCC2)CCCCC1 ZINC000415100334 312093769 /nfs/dbraw/zinc/09/37/69/312093769.db2.gz HWACSVCJOXXTFH-GUDVDZBRSA-N 1 3 335.536 2.532 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCCCC1 ZINC000415100328 312093776 /nfs/dbraw/zinc/09/37/76/312093776.db2.gz HWACSVCJOXXTFH-CEXWTWQISA-N 1 3 335.536 2.532 20 0 EFADHO CCCCOc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415100276 312093939 /nfs/dbraw/zinc/09/39/39/312093939.db2.gz AAMCQIVGEWLWBQ-SFHVURJKSA-N 1 3 343.475 2.753 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000415124181 312098339 /nfs/dbraw/zinc/09/83/39/312098339.db2.gz MGLZKCFYIDJMKK-FUHWJXTLSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)o1 ZINC000415124183 312098629 /nfs/dbraw/zinc/09/86/29/312098629.db2.gz MGLZKCFYIDJMKK-WMZOPIPTSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000415124180 312098648 /nfs/dbraw/zinc/09/86/48/312098648.db2.gz MGLZKCFYIDJMKK-AEFFLSMTSA-N 1 3 344.459 2.696 20 0 EFADHO Cc1ncsc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415127987 312098799 /nfs/dbraw/zinc/09/87/99/312098799.db2.gz JENBZNOXYGYZMK-UHFFFAOYSA-N 1 3 330.501 2.535 20 0 EFADHO Cc1cc(Cl)cc(C)c1CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415128953 312099337 /nfs/dbraw/zinc/09/93/37/312099337.db2.gz OXNRZGAXPWJIBA-INIZCTEOSA-N 1 3 333.867 2.844 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415131010 312100086 /nfs/dbraw/zinc/10/00/86/312100086.db2.gz YHSLVEHORRPGBX-ICSRJNTNSA-N 1 3 332.488 2.976 20 0 EFADHO O=C1N[C@H]2CN(CCC3CCCCCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146523 312103099 /nfs/dbraw/zinc/10/30/99/312103099.db2.gz YTWGMKXRFXJJOX-OALUTQOASA-N 1 3 348.535 2.567 20 0 EFADHO CC(C)([NH3+])CNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000415146572 312103284 /nfs/dbraw/zinc/10/32/84/312103284.db2.gz ZAYXGEHWECHQQH-UHFFFAOYSA-N 1 3 340.309 2.740 20 0 EFADHO CC(C)(N)C[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000415146572 312103287 /nfs/dbraw/zinc/10/32/87/312103287.db2.gz ZAYXGEHWECHQQH-UHFFFAOYSA-N 1 3 340.309 2.740 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H](C)NC[C@H]2C)cc1 ZINC000415173392 312108137 /nfs/dbraw/zinc/10/81/37/312108137.db2.gz BEZLWHZDTDRJOK-JKSUJKDBSA-N 1 3 348.491 2.621 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879707 312178819 /nfs/dbraw/zinc/17/88/19/312178819.db2.gz BYLFJAQGBHWICO-SFHVURJKSA-N 1 3 330.476 2.670 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415879707 312178821 /nfs/dbraw/zinc/17/88/21/312178821.db2.gz BYLFJAQGBHWICO-SFHVURJKSA-N 1 3 330.476 2.670 20 0 EFADHO CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1)CNCC2)C(C)C ZINC000415885131 312179041 /nfs/dbraw/zinc/17/90/41/312179041.db2.gz RIBPQRMTRYKUIV-UHFFFAOYSA-N 1 3 332.492 2.963 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000415939064 312181638 /nfs/dbraw/zinc/18/16/38/312181638.db2.gz ZUAXKCUFAQXLIT-SFHVURJKSA-N 1 3 326.444 2.830 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccco1 ZINC000415944989 312182720 /nfs/dbraw/zinc/18/27/20/312182720.db2.gz BQHUFQSAEGFOPY-CJNGLKHVSA-N 1 3 330.432 2.989 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415948610 312183186 /nfs/dbraw/zinc/18/31/86/312183186.db2.gz URMWAAUVJJAJOB-UHFFFAOYSA-N 1 3 348.491 2.754 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415953585 312184463 /nfs/dbraw/zinc/18/44/63/312184463.db2.gz IPHLLXRHRBCLBC-UKRRQHHQSA-N 1 3 346.450 2.562 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415954749 312184496 /nfs/dbraw/zinc/18/44/96/312184496.db2.gz OOERQQLPWBSLII-NSHDSACASA-N 1 3 344.381 2.580 20 0 EFADHO C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000415957956 312185159 /nfs/dbraw/zinc/18/51/59/312185159.db2.gz NDLDORXWEPFMEP-KSSFIOAISA-N 1 3 326.444 2.958 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC000415961604 312186079 /nfs/dbraw/zinc/18/60/79/312186079.db2.gz RUECXRXDXRETRY-GOSISDBHSA-N 1 3 342.443 2.578 20 0 EFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+](C)C ZINC000415968845 312187300 /nfs/dbraw/zinc/18/73/00/312187300.db2.gz FTHIKUUVXQVKBI-KRWDZBQOSA-N 1 3 348.491 2.657 20 0 EFADHO C[C@H]1C[C@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415972038 312188039 /nfs/dbraw/zinc/18/80/39/312188039.db2.gz OMDLDXFWUYFQPX-GXFFZTMASA-N 1 3 344.381 2.768 20 0 EFADHO C[C@H]1C[C@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415972038 312188040 /nfs/dbraw/zinc/18/80/40/312188040.db2.gz OMDLDXFWUYFQPX-GXFFZTMASA-N 1 3 344.381 2.768 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N(C)Cc1ccccc1 ZINC000415972682 312188391 /nfs/dbraw/zinc/18/83/91/312188391.db2.gz INPSYMVQKWAKKQ-OAHLLOKOSA-N 1 3 326.444 2.787 20 0 EFADHO C[NH+](C)CC(C)(C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415974727 312188452 /nfs/dbraw/zinc/18/84/52/312188452.db2.gz RYTOCELXXWEBTK-UHFFFAOYSA-N 1 3 332.370 2.626 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000415982093 312189884 /nfs/dbraw/zinc/18/98/84/312189884.db2.gz DBAKIAQSPRLPMP-LJQANCHMSA-N 1 3 340.471 2.700 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccsc1 ZINC000417008624 312194251 /nfs/dbraw/zinc/19/42/51/312194251.db2.gz MEZDDICFERAYHZ-FVQBIDKESA-N 1 3 338.521 2.510 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000417010494 312194535 /nfs/dbraw/zinc/19/45/35/312194535.db2.gz PGCSIISJDABMDS-JKSUJKDBSA-N 1 3 338.521 2.654 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000417223213 312200362 /nfs/dbraw/zinc/20/03/62/312200362.db2.gz RLPLXBOFZCUCKC-BHIYHBOVSA-N 1 3 344.503 2.653 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000417304891 312206438 /nfs/dbraw/zinc/20/64/38/312206438.db2.gz FWDLGIDOAMFLTN-NJAFHUGGSA-N 1 3 332.492 2.509 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCNC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000417359498 312214055 /nfs/dbraw/zinc/21/40/55/312214055.db2.gz WCOCIVJYMUSABS-GOSISDBHSA-N 1 3 344.503 2.525 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@H](C)NC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000417359225 312214107 /nfs/dbraw/zinc/21/41/07/312214107.db2.gz VISARTPLQWLDDF-LNLFQRSKSA-N 1 3 344.503 2.524 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCNCC1 ZINC000417380276 312216927 /nfs/dbraw/zinc/21/69/27/312216927.db2.gz URAJGZAUWKIEMY-UHFFFAOYSA-N 1 3 344.503 2.568 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000417619533 312248634 /nfs/dbraw/zinc/24/86/34/312248634.db2.gz FFMFXQLIMPSKKR-IRXDYDNUSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000417624457 312249011 /nfs/dbraw/zinc/24/90/11/312249011.db2.gz KSXPUQVQKUWUDW-JXFKEZNVSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000417630453 312249384 /nfs/dbraw/zinc/24/93/84/312249384.db2.gz RADHJTJWMVUQEZ-SOLBZPMBSA-N 1 3 346.519 2.742 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417636429 312250631 /nfs/dbraw/zinc/25/06/31/312250631.db2.gz XVUFEEPRLKOBHL-AEFFLSMTSA-N 1 3 346.519 2.947 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000417689536 312257352 /nfs/dbraw/zinc/25/73/52/312257352.db2.gz KGVGUSXWBDKUJO-BQFCYCMXSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000417692618 312257675 /nfs/dbraw/zinc/25/76/75/312257675.db2.gz OSOBDSSDCSVQPW-BBWFWOEESA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417697938 312258233 /nfs/dbraw/zinc/25/82/33/312258233.db2.gz XCFGQSALRGMWCM-BBWFWOEESA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000417695945 312258238 /nfs/dbraw/zinc/25/82/38/312258238.db2.gz UYKQNCZIHAOJLG-GJYPPUQNSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000417698622 312258738 /nfs/dbraw/zinc/25/87/38/312258738.db2.gz GTENBKUWNZAKIC-SOLBZPMBSA-N 1 3 346.519 2.803 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417701376 312259072 /nfs/dbraw/zinc/25/90/72/312259072.db2.gz JJGVUXOTHYKXBZ-RDJZCZTQSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000417702701 312259196 /nfs/dbraw/zinc/25/91/96/312259196.db2.gz KRYBZRAOSXTMDJ-OOHWJJMZSA-N 1 3 332.492 2.685 20 0 EFADHO N[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000417703198 312259221 /nfs/dbraw/zinc/25/92/21/312259221.db2.gz JTPSITSPWVXXPO-GOSISDBHSA-N 1 3 332.492 2.642 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000417750352 312265301 /nfs/dbraw/zinc/26/53/01/312265301.db2.gz NAOIFRCKUSCEIG-LJQANCHMSA-N 1 3 346.519 2.670 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000417760298 312266921 /nfs/dbraw/zinc/26/69/21/312266921.db2.gz XKLRWNWLLXINQD-ZMYBRWDISA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000417760298 312266923 /nfs/dbraw/zinc/26/69/23/312266923.db2.gz XKLRWNWLLXINQD-ZMYBRWDISA-N 1 3 340.471 2.622 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417811527 312273285 /nfs/dbraw/zinc/27/32/85/312273285.db2.gz DFJAKTLNNKVPAV-QZTJIDSGSA-N 1 3 327.472 2.980 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417815940 312274051 /nfs/dbraw/zinc/27/40/51/312274051.db2.gz PHLBOHVZCXXSKJ-LJQANCHMSA-N 1 3 342.487 2.871 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417815940 312274053 /nfs/dbraw/zinc/27/40/53/312274053.db2.gz PHLBOHVZCXXSKJ-LJQANCHMSA-N 1 3 342.487 2.871 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH3+] ZINC000417817290 312274265 /nfs/dbraw/zinc/27/42/65/312274265.db2.gz DLMMIOYWWWVWEM-AEFFLSMTSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000417824569 312276294 /nfs/dbraw/zinc/27/62/94/312276294.db2.gz AGIGWUOONLUBMB-LMMKCTJWSA-N 1 3 346.519 2.856 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417831687 312277839 /nfs/dbraw/zinc/27/78/39/312277839.db2.gz IGKXFAVIBHQITF-WMZOPIPTSA-N 1 3 346.519 2.856 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417834364 312278043 /nfs/dbraw/zinc/27/80/43/312278043.db2.gz UYEOMZFYCXUCGU-SJLPKXTDSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@H]1C[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417836911 312278608 /nfs/dbraw/zinc/27/86/08/312278608.db2.gz LVJNLMPBUBSZEF-FUHWJXTLSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417843618 312279972 /nfs/dbraw/zinc/27/99/72/312279972.db2.gz QQGRZLLWFZUPJC-QRQLOZEOSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000417845546 312280260 /nfs/dbraw/zinc/28/02/60/312280260.db2.gz IRKUKELQXAFJNI-IPMKNSEASA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH3+])CCN1Cc1ccccc1 ZINC000417852876 312282443 /nfs/dbraw/zinc/28/24/43/312282443.db2.gz ZSQNZRLFQITZMM-FUHWJXTLSA-N 1 3 346.519 2.856 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000417858097 312283879 /nfs/dbraw/zinc/28/38/79/312283879.db2.gz USVVATKGVVUISJ-ROUUACIJSA-N 1 3 329.488 2.561 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000417972949 312303144 /nfs/dbraw/zinc/30/31/44/312303144.db2.gz BYNNFUQJOADSKQ-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418027815 312312048 /nfs/dbraw/zinc/31/20/48/312312048.db2.gz GRDNKABXJAMVSH-IBGZPJMESA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418032918 312312866 /nfs/dbraw/zinc/31/28/66/312312866.db2.gz MUKXMGPWGZCJRY-RTBURBONSA-N 1 3 346.519 2.584 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418035843 312313885 /nfs/dbraw/zinc/31/38/85/312313885.db2.gz YBCVPSAGOHKRGI-GOSISDBHSA-N 1 3 346.519 2.670 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418037755 312314486 /nfs/dbraw/zinc/31/44/86/312314486.db2.gz RGCPUECZYQDWIW-QRQLOZEOSA-N 1 3 346.519 2.522 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000418037757 312314638 /nfs/dbraw/zinc/31/46/38/312314638.db2.gz RGCPUECZYQDWIW-WDSOQIARSA-N 1 3 346.519 2.522 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418065860 312319777 /nfs/dbraw/zinc/31/97/77/312319777.db2.gz MWALQQMSJZGQNV-SFHVURJKSA-N 1 3 346.519 2.670 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418111522 312328443 /nfs/dbraw/zinc/32/84/43/312328443.db2.gz HDLORATUJMFXNV-SFHVURJKSA-N 1 3 336.524 2.554 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418115662 312329078 /nfs/dbraw/zinc/32/90/78/312329078.db2.gz OWOLXRUIYYRCEC-LJQANCHMSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152733 312335739 /nfs/dbraw/zinc/33/57/39/312335739.db2.gz HTJXKLLVJLEPJQ-AEFFLSMTSA-N 1 3 346.519 2.584 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000418174506 312339987 /nfs/dbraw/zinc/33/99/87/312339987.db2.gz FDCSLOKUDWNKIR-IDMDMSBLSA-N 1 3 332.492 2.555 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000418180788 312341387 /nfs/dbraw/zinc/34/13/87/312341387.db2.gz KTSYQBNGJVVPHZ-KBAYOESNSA-N 1 3 334.508 2.693 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000418183688 312341598 /nfs/dbraw/zinc/34/15/98/312341598.db2.gz OSRGXIWUNOUNIN-ZYSHUDEJSA-N 1 3 346.519 2.885 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)N(C)C ZINC000418183350 312341753 /nfs/dbraw/zinc/34/17/53/312341753.db2.gz OKFMWQNIKQXYBZ-FAJBIJEISA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1)N(C)C ZINC000418186478 312342475 /nfs/dbraw/zinc/34/24/75/312342475.db2.gz RZKLMEVVAZZGSA-SCTDSRPQSA-N 1 3 346.519 2.818 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000418187884 312342854 /nfs/dbraw/zinc/34/28/54/312342854.db2.gz SXFQPZYTCOQTTQ-NUJGCVRESA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1)N(C)C ZINC000418192079 312343758 /nfs/dbraw/zinc/34/37/58/312343758.db2.gz YHEVIAJVTISFQQ-QRFRQXIXSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])N(C)C)cc1 ZINC000418191949 312343890 /nfs/dbraw/zinc/34/38/90/312343890.db2.gz LTGICOGIOGRYGZ-QGZVFWFLSA-N 1 3 334.508 2.524 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NCCCC[NH3+])c1ccc(Cl)cc1 ZINC000418191655 312344039 /nfs/dbraw/zinc/34/40/39/312344039.db2.gz XQPXNIWAQIPFIL-INIZCTEOSA-N 1 3 340.899 2.761 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]C1)N(C)C ZINC000418192856 312344262 /nfs/dbraw/zinc/34/42/62/312344262.db2.gz ZATLEZUEFGUVQP-SCTDSRPQSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)N(C)C)cc1 ZINC000418193840 312344715 /nfs/dbraw/zinc/34/47/15/312344715.db2.gz NVLNNYAJZMTNTG-RTBURBONSA-N 1 3 346.519 2.524 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418198302 312345678 /nfs/dbraw/zinc/34/56/78/312345678.db2.gz LGCPZEBERUDZJS-MAUKXSAKSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418198302 312345681 /nfs/dbraw/zinc/34/56/81/312345681.db2.gz LGCPZEBERUDZJS-MAUKXSAKSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000418207844 312346950 /nfs/dbraw/zinc/34/69/50/312346950.db2.gz CHJKVRRLKHOOAY-YJBOKZPZSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N(CC)CC)cc1 ZINC000418218589 312348663 /nfs/dbraw/zinc/34/86/63/312348663.db2.gz QZIMMFSIXRYYQR-QAPCUYQASA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])N(CC)CC)cc1 ZINC000418218587 312348917 /nfs/dbraw/zinc/34/89/17/312348917.db2.gz QZIMMFSIXRYYQR-MAUKXSAKSA-N 1 3 334.508 2.668 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc2c(c1)CNC2 ZINC000418230771 312351214 /nfs/dbraw/zinc/35/12/14/312351214.db2.gz AUMDQOZPNFMFNF-IBGZPJMESA-N 1 3 344.503 2.600 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418249038 312353726 /nfs/dbraw/zinc/35/37/26/312353726.db2.gz SOPXJQPTUWSGET-UHFFFAOYSA-N 1 3 346.519 2.667 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000418266681 312354867 /nfs/dbraw/zinc/35/48/67/312354867.db2.gz NGMASXOCPRFCEE-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000418266681 312354870 /nfs/dbraw/zinc/35/48/70/312354870.db2.gz NGMASXOCPRFCEE-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418515473 312360973 /nfs/dbraw/zinc/36/09/73/312360973.db2.gz IHJNBILQZHSORI-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420343291 312362464 /nfs/dbraw/zinc/36/24/64/312362464.db2.gz QMXQWVQATBXCNT-DFQSSKMNSA-N 1 3 343.515 2.802 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342883 312362490 /nfs/dbraw/zinc/36/24/90/312362490.db2.gz QJYHABUIVQRQIE-OGWHTMIXSA-N 1 3 341.499 2.674 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344083 312362921 /nfs/dbraw/zinc/36/29/21/312362921.db2.gz RZBGDXAPMRRKPA-DBVUQKKJSA-N 1 3 343.515 2.748 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344084 312363103 /nfs/dbraw/zinc/36/31/03/312363103.db2.gz RZBGDXAPMRRKPA-FFZOFVMBSA-N 1 3 343.515 2.748 20 0 EFADHO CN(CCCNC(=O)NC1CCC([NH+](C)C)CC1)Cc1ccccc1 ZINC000420767891 312386509 /nfs/dbraw/zinc/38/65/09/312386509.db2.gz VHJYRTIGORRIEG-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000420793966 312391855 /nfs/dbraw/zinc/39/18/55/312391855.db2.gz JXOKMKBBDBGANG-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCCN2C)c1 ZINC000420815016 312396086 /nfs/dbraw/zinc/39/60/86/312396086.db2.gz ZMMKDTURTYQVDU-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000423335766 312412769 /nfs/dbraw/zinc/41/27/69/312412769.db2.gz XJLILXUVFACYEH-UHFFFAOYSA-N 1 3 343.515 2.787 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000423375334 312417084 /nfs/dbraw/zinc/41/70/84/312417084.db2.gz IQFHLHYPRALIMB-BXWFABGCSA-N 1 3 331.504 2.948 20 0 EFADHO Cc1cc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000423383556 312418150 /nfs/dbraw/zinc/41/81/50/312418150.db2.gz JNCYTAQCYKDOIK-FZMZJTMJSA-N 1 3 335.439 2.852 20 0 EFADHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)CCC2 ZINC000423380602 312418155 /nfs/dbraw/zinc/41/81/55/312418155.db2.gz HEOBJEIDZHOTQI-SUMWQHHRSA-N 1 3 341.421 2.662 20 0 EFADHO NC1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423531565 312430995 /nfs/dbraw/zinc/43/09/95/312430995.db2.gz SUMCUYFDPRFFQV-JMZCLIQJSA-N 1 3 332.410 2.840 20 0 EFADHO CN1CCO[C@@H]([C@H](NCCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423538572 312431678 /nfs/dbraw/zinc/43/16/78/312431678.db2.gz NECBFPUZXFMTCI-RTBURBONSA-N 1 3 349.906 2.611 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](CN)c1ccccc1 ZINC000423741846 312447028 /nfs/dbraw/zinc/44/70/28/312447028.db2.gz KQSKTZKNVKGHDH-FQEVSTJZSA-N 1 3 339.483 2.839 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423746291 312447826 /nfs/dbraw/zinc/44/78/26/312447826.db2.gz NQPTYYNKILARPG-FQEVSTJZSA-N 1 3 345.531 2.789 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000423751004 312448724 /nfs/dbraw/zinc/44/87/24/312448724.db2.gz ULFNMPNVFIJEPS-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO O=C(C[C@@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423765000 312450844 /nfs/dbraw/zinc/45/08/44/312450844.db2.gz WKXQXCFAWWCKKV-KRWDZBQOSA-N 1 3 349.906 2.764 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423785490 312453283 /nfs/dbraw/zinc/45/32/83/312453283.db2.gz OIRNNDWOUUAYDC-LJQANCHMSA-N 1 3 344.503 2.712 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000423844844 312469213 /nfs/dbraw/zinc/46/92/13/312469213.db2.gz MKIORXDRCRUOFV-QGZVFWFLSA-N 1 3 344.503 2.688 20 0 EFADHO C[C@@H]1C[C@H](C)N(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424081171 312508893 /nfs/dbraw/zinc/50/88/93/312508893.db2.gz WISDZGSZJOULGW-FUHIMQAGSA-N 1 3 343.515 2.730 20 0 EFADHO CN(C)[C@]1(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CCSC1 ZINC000424134896 312513308 /nfs/dbraw/zinc/51/33/08/312513308.db2.gz OHVWJWZOSGRLPO-WMZOPIPTSA-N 1 3 341.565 2.618 20 0 EFADHO CN(C)CC1(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCC1 ZINC000455856665 312992876 /nfs/dbraw/zinc/99/28/76/312992876.db2.gz NYXWJPDVHUNNPC-KRWDZBQOSA-N 1 3 330.476 2.841 20 0 EFADHO CCN(CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000455948251 313000022 /nfs/dbraw/zinc/00/00/22/313000022.db2.gz XXZQGPSQKSNPGI-SFHVURJKSA-N 1 3 330.476 2.841 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458263577 313098324 /nfs/dbraw/zinc/09/83/24/313098324.db2.gz AXANAEUJLOVAJI-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)ccc1C[NH+](C)C ZINC000458265156 313098788 /nfs/dbraw/zinc/09/87/88/313098788.db2.gz CIOLBGSQTMVEGE-IBGZPJMESA-N 1 3 345.487 2.639 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](CO)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000470245993 313130071 /nfs/dbraw/zinc/13/00/71/313130071.db2.gz DBGWUTZQVOZYJU-IYOUNJFTSA-N 1 3 342.886 2.950 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](CO)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000470245993 313130075 /nfs/dbraw/zinc/13/00/75/313130075.db2.gz DBGWUTZQVOZYJU-IYOUNJFTSA-N 1 3 342.886 2.950 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471792453 313159722 /nfs/dbraw/zinc/15/97/22/313159722.db2.gz KRQJTNQTMHNSJD-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471789754 313160002 /nfs/dbraw/zinc/16/00/02/313160002.db2.gz RDQUUTHBECQPBY-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000477244845 313241094 /nfs/dbraw/zinc/24/10/94/313241094.db2.gz VJGLNJRDZCQVHY-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000477244845 313241097 /nfs/dbraw/zinc/24/10/97/313241097.db2.gz VJGLNJRDZCQVHY-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000478795350 313256227 /nfs/dbraw/zinc/25/62/27/313256227.db2.gz IPRVWURQFGPOAL-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000478795350 313256230 /nfs/dbraw/zinc/25/62/30/313256230.db2.gz IPRVWURQFGPOAL-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000479373562 313266776 /nfs/dbraw/zinc/26/67/76/313266776.db2.gz BDWKYMKXXUEUNX-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000479373562 313266778 /nfs/dbraw/zinc/26/67/78/313266778.db2.gz BDWKYMKXXUEUNX-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCCCC1(C)C)c1ccccc1 ZINC000481168006 313287794 /nfs/dbraw/zinc/28/77/94/313287794.db2.gz BEWZAJGHBZYYTO-MSOLQXFVSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000481188335 313288282 /nfs/dbraw/zinc/28/82/82/313288282.db2.gz HFHYJACZKGMHQV-QRQLOZEOSA-N 1 3 331.504 2.964 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486978778 313354880 /nfs/dbraw/zinc/35/48/80/313354880.db2.gz HIHCOAPXPWHNMX-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486978778 313354883 /nfs/dbraw/zinc/35/48/83/313354883.db2.gz HIHCOAPXPWHNMX-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000488443586 313485116 /nfs/dbraw/zinc/48/51/16/313485116.db2.gz OVJKXPZODYHQIZ-MSOLQXFVSA-N 1 3 349.544 2.598 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000496159912 314966472 /nfs/dbraw/zinc/96/64/72/314966472.db2.gz KDGMHMANOOUDPC-WMZOPIPTSA-N 1 3 345.487 2.765 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC[C@@]3(C)CC[NH2+]C3)CC[C@@H]2C1 ZINC000496354593 315037504 /nfs/dbraw/zinc/03/75/04/315037504.db2.gz CEGUAQDKHLREMX-OLMMMNRUSA-N 1 3 337.508 2.611 20 0 EFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374277 315044646 /nfs/dbraw/zinc/04/46/46/315044646.db2.gz KPMOARFDQNWJKJ-HOTGVXAUSA-N 1 3 327.513 2.809 20 0 EFADHO CC(C)C[C@@H](C[N@H+]1CC[C@@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374277 315044649 /nfs/dbraw/zinc/04/46/49/315044649.db2.gz KPMOARFDQNWJKJ-HOTGVXAUSA-N 1 3 327.513 2.809 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462693 315075363 /nfs/dbraw/zinc/07/53/63/315075363.db2.gz RGQJDLBWWVEVGV-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462693 315075366 /nfs/dbraw/zinc/07/53/66/315075366.db2.gz RGQJDLBWWVEVGV-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462693 315075370 /nfs/dbraw/zinc/07/53/70/315075370.db2.gz RGQJDLBWWVEVGV-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462693 315075371 /nfs/dbraw/zinc/07/53/71/315075371.db2.gz RGQJDLBWWVEVGV-SJORKVTESA-N 1 3 339.524 2.907 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)C1 ZINC000496494588 315087327 /nfs/dbraw/zinc/08/73/27/315087327.db2.gz RVZYPMVRHFHQSX-DZKIICNBSA-N 1 3 348.491 2.756 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496547040 315106164 /nfs/dbraw/zinc/10/61/64/315106164.db2.gz DLCYGDBBGUSSHG-LSDHHAIUSA-N 1 3 325.497 2.563 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496631893 315137569 /nfs/dbraw/zinc/13/75/69/315137569.db2.gz IRSAVJUXSGTCIY-CRAIPNDOSA-N 1 3 325.497 2.565 20 0 EFADHO CC[NH+](CC)CCCNC[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496631893 315137572 /nfs/dbraw/zinc/13/75/72/315137572.db2.gz IRSAVJUXSGTCIY-CRAIPNDOSA-N 1 3 325.497 2.565 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000496793021 315197555 /nfs/dbraw/zinc/19/75/55/315197555.db2.gz KSYZYLQXGWGHTN-OAGGEKHMSA-N 1 3 327.513 2.952 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000496793021 315197558 /nfs/dbraw/zinc/19/75/58/315197558.db2.gz KSYZYLQXGWGHTN-OAGGEKHMSA-N 1 3 327.513 2.952 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496792111 315197849 /nfs/dbraw/zinc/19/78/49/315197849.db2.gz HYASATCUHTYCQR-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCCC[C@@H]1CCN1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000496792111 315197851 /nfs/dbraw/zinc/19/78/51/315197851.db2.gz HYASATCUHTYCQR-IXDOHACOSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809737 315203831 /nfs/dbraw/zinc/20/38/31/315203831.db2.gz NJSRSUVZZNGKKN-VVLHAWIVSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809737 315203834 /nfs/dbraw/zinc/20/38/34/315203834.db2.gz NJSRSUVZZNGKKN-VVLHAWIVSA-N 1 3 337.508 2.706 20 0 EFADHO O=C1N[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]2CO1 ZINC000496893976 315234585 /nfs/dbraw/zinc/23/45/85/315234585.db2.gz SQHUUMIAYUPBKD-MOPGFXCFSA-N 1 3 343.471 2.603 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497011508 315277137 /nfs/dbraw/zinc/27/71/37/315277137.db2.gz QEKSOJYRSSFICN-APWZRJJASA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497085070 315303656 /nfs/dbraw/zinc/30/36/56/315303656.db2.gz WPLFIZGMIZCGFN-KRWDZBQOSA-N 1 3 333.476 2.960 20 0 EFADHO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)CC(C)C ZINC000497126763 315318926 /nfs/dbraw/zinc/31/89/26/315318926.db2.gz HQDWSEUFEIFQCG-CZUORRHYSA-N 1 3 336.480 2.660 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC000497142248 315325124 /nfs/dbraw/zinc/32/51/24/315325124.db2.gz FTGDCRBIBSBLGL-VDGAXYAQSA-N 1 3 349.519 2.661 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C[C@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 ZINC000497142248 315325126 /nfs/dbraw/zinc/32/51/26/315325126.db2.gz FTGDCRBIBSBLGL-VDGAXYAQSA-N 1 3 349.519 2.661 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508894693 315495917 /nfs/dbraw/zinc/49/59/17/315495917.db2.gz GFWWNTCBAVERDU-HKUYNNGSSA-N 1 3 348.535 2.969 20 0 EFADHO C[C@@]1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000514590192 315542189 /nfs/dbraw/zinc/54/21/89/315542189.db2.gz PLVPVEGVGDGGJU-UYAOXDASSA-N 1 3 344.503 2.512 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000514601264 315543878 /nfs/dbraw/zinc/54/38/78/315543878.db2.gz ZUHXECHDELAIQC-IPELMVKDSA-N 1 3 331.504 2.996 20 0 EFADHO C[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H](N)c1ccccc1 ZINC000515402715 315615616 /nfs/dbraw/zinc/61/56/16/315615616.db2.gz RNJUAYGZZIGFOL-BLLLJJGKSA-N 1 3 344.484 2.885 20 0 EFADHO Cc1c([C@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000517918491 315787771 /nfs/dbraw/zinc/78/77/71/315787771.db2.gz SQFXUPQPBGZXBJ-LBPRGKRZSA-N 1 3 333.867 2.879 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CNCc2ccccc21 ZINC000520578046 315967412 /nfs/dbraw/zinc/96/74/12/315967412.db2.gz PTOXCVCXTIZDKU-OAQYLSRUSA-N 1 3 349.478 2.786 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000521216976 316007741 /nfs/dbraw/zinc/00/77/41/316007741.db2.gz YMBDBSNJGBAXLK-SJORKVTESA-N 1 3 344.503 2.511 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(C)c1 ZINC000522286984 316086886 /nfs/dbraw/zinc/08/68/86/316086886.db2.gz ZLMLNRIRNIKCRB-HXUWFJFHSA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cc1ccc(C)c(C)c1 ZINC000522286984 316086890 /nfs/dbraw/zinc/08/68/90/316086890.db2.gz ZLMLNRIRNIKCRB-HXUWFJFHSA-N 1 3 345.531 2.720 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000522318767 316088842 /nfs/dbraw/zinc/08/88/42/316088842.db2.gz RCQFQCIYVJHILJ-GOSISDBHSA-N 1 3 348.535 2.799 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000524263696 316151554 /nfs/dbraw/zinc/15/15/54/316151554.db2.gz RYGDEMMKTZXNHD-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000524263696 316151559 /nfs/dbraw/zinc/15/15/59/316151559.db2.gz RYGDEMMKTZXNHD-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CCCCC1CCC(NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1 ZINC000524936008 316182354 /nfs/dbraw/zinc/18/23/54/316182354.db2.gz YZVSAQDZBZMNPX-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CC[C@H]1CCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525437815 316214632 /nfs/dbraw/zinc/21/46/32/316214632.db2.gz BOQCEDIDFBFEAX-QZTJIDSGSA-N 1 3 340.556 2.726 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C(F)F)c1 ZINC000525885313 316252800 /nfs/dbraw/zinc/25/28/00/316252800.db2.gz TWAXWDLWSASCSE-UHFFFAOYSA-N 1 3 328.407 2.581 20 0 EFADHO CC(C)[C@H](COCc1ccccc1)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000526107499 316293974 /nfs/dbraw/zinc/29/39/74/316293974.db2.gz GFTCJNLEVNVXNY-NRFANRHFSA-N 1 3 347.547 2.843 20 0 EFADHO O[C@@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000527100530 316334420 /nfs/dbraw/zinc/33/44/20/316334420.db2.gz KDOIYDGTXZCANE-ZBFHGGJFSA-N 1 3 334.426 2.934 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529369858 316867064 /nfs/dbraw/zinc/86/70/64/316867064.db2.gz ZVTWSJTZFBEBHQ-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000530030808 317033204 /nfs/dbraw/zinc/03/32/04/317033204.db2.gz WNYAFNWWSJUADT-VQIMIIECSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000530030808 317033208 /nfs/dbraw/zinc/03/32/08/317033208.db2.gz WNYAFNWWSJUADT-VQIMIIECSA-N 1 3 333.520 2.774 20 0 EFADHO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)OC)c1 ZINC000530211510 317081537 /nfs/dbraw/zinc/08/15/37/317081537.db2.gz NYONXUSTHRKLHT-BFUOFWGJSA-N 1 3 329.444 2.896 20 0 EFADHO Cn1cc2ccc(CN[C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cc2n1 ZINC000530216296 317083256 /nfs/dbraw/zinc/08/32/56/317083256.db2.gz AFWFXWMOQFAUQJ-FPOVZHCZSA-N 1 3 348.450 2.919 20 0 EFADHO CC1(C)Cc2cc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2O1 ZINC000530248670 317091357 /nfs/dbraw/zinc/09/13/57/317091357.db2.gz OANQLMPDKOXPQB-LJQANCHMSA-N 1 3 344.499 2.991 20 0 EFADHO c1ccc2c(c1)ccnc2CN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248126 317091623 /nfs/dbraw/zinc/09/16/23/317091623.db2.gz GPBDXSGURNYNLG-GOSISDBHSA-N 1 3 325.456 2.825 20 0 EFADHO COC(=O)[C@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000530340855 317110977 /nfs/dbraw/zinc/11/09/77/317110977.db2.gz MARFOXOHTRFQPM-HXUWFJFHSA-N 1 3 330.472 2.581 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000530407268 317122337 /nfs/dbraw/zinc/12/23/37/317122337.db2.gz JMXCRXQFGUEVEI-SESVDKBCSA-N 1 3 338.499 2.853 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Oc2ccccc2)o1 ZINC000530897122 317193162 /nfs/dbraw/zinc/19/31/62/317193162.db2.gz IUPIXNZTDFNDQD-UHFFFAOYSA-N 1 3 345.443 2.637 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000531146690 317226412 /nfs/dbraw/zinc/22/64/12/317226412.db2.gz QBEZIAXHTKIKPZ-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000531146690 317226414 /nfs/dbraw/zinc/22/64/14/317226414.db2.gz QBEZIAXHTKIKPZ-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963108 317337440 /nfs/dbraw/zinc/33/74/40/317337440.db2.gz CXUSKTXZTITZTI-DNVCBOLYSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000531963108 317337442 /nfs/dbraw/zinc/33/74/42/317337442.db2.gz CXUSKTXZTITZTI-DNVCBOLYSA-N 1 3 338.455 2.764 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCOCC1 ZINC000532194216 317368062 /nfs/dbraw/zinc/36/80/62/317368062.db2.gz ONSLMUSXVAQADB-OAQYLSRUSA-N 1 3 345.531 2.729 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)C1CCOCC1 ZINC000532194209 317368470 /nfs/dbraw/zinc/36/84/70/317368470.db2.gz ONSLMUSXVAQADB-NRFANRHFSA-N 1 3 345.531 2.729 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000540990074 317764945 /nfs/dbraw/zinc/76/49/45/317764945.db2.gz GSGDJFWBFRHQKS-GOSISDBHSA-N 1 3 335.467 2.657 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000547541080 318017694 /nfs/dbraw/zinc/01/76/94/318017694.db2.gz ARSCEDBTKOVKCD-UHFFFAOYSA-N 1 3 347.290 2.951 20 0 EFADHO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(CC2CC2)CC1 ZINC000548021212 318064882 /nfs/dbraw/zinc/06/48/82/318064882.db2.gz JWDOIRJWZDDDFP-ROUUACIJSA-N 1 3 332.492 2.587 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548362508 318099009 /nfs/dbraw/zinc/09/90/09/318099009.db2.gz QOHFJYCGQSJBME-IAGOWNOFSA-N 1 3 346.500 2.606 20 0 EFADHO COCCC1(C[NH2+]CCCCN2CCN(C)CC2)CCCCC1 ZINC000548690422 318132541 /nfs/dbraw/zinc/13/25/41/318132541.db2.gz KDHSGCITXOCYIA-UHFFFAOYSA-N 1 3 325.541 2.591 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000548915794 318157355 /nfs/dbraw/zinc/15/73/55/318157355.db2.gz TWPHOHRQOGHEKA-IBGZPJMESA-N 1 3 349.563 2.828 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549040887 318162465 /nfs/dbraw/zinc/16/24/65/318162465.db2.gz LOWDEZZRETXPCE-ZCNNSNEGSA-N 1 3 341.499 2.790 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000550081684 318187414 /nfs/dbraw/zinc/18/74/14/318187414.db2.gz DYQPGRNJEOCNHE-CEXWTWQISA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000550081684 318187416 /nfs/dbraw/zinc/18/74/16/318187416.db2.gz DYQPGRNJEOCNHE-CEXWTWQISA-N 1 3 343.515 2.916 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000552225412 318249290 /nfs/dbraw/zinc/24/92/90/318249290.db2.gz GWMXKUYSHVKSDN-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO CSc1ccc(Cl)c(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000552514654 318258312 /nfs/dbraw/zinc/25/83/12/318258312.db2.gz JVONFMKVZLMIRI-UHFFFAOYSA-N 1 3 343.924 2.627 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675136 318261182 /nfs/dbraw/zinc/26/11/82/318261182.db2.gz KLBIQKVQJLTCBQ-DOTOQJQBSA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675136 318261185 /nfs/dbraw/zinc/26/11/85/318261185.db2.gz KLBIQKVQJLTCBQ-DOTOQJQBSA-N 1 3 337.895 2.791 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OC)c3)CC2)CC1 ZINC000553160939 318272671 /nfs/dbraw/zinc/27/26/71/318272671.db2.gz NLSGAUBSXQISGF-UHFFFAOYSA-N 1 3 345.487 2.830 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)c3ccco3)CC2)CC1 ZINC000553266086 318277232 /nfs/dbraw/zinc/27/72/32/318277232.db2.gz PAXYVSXXJWICGF-INIZCTEOSA-N 1 3 347.503 2.995 20 0 EFADHO CC[C@@H]1[C@H](C)CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553556975 318286941 /nfs/dbraw/zinc/28/69/41/318286941.db2.gz PZBWPYFYCACQJN-VQIMIIECSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH2+]CCC(=O)NC[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000553953902 318297656 /nfs/dbraw/zinc/29/76/56/318297656.db2.gz WFAWDZNBUXVFFD-IBGZPJMESA-N 1 3 331.504 2.574 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000554522844 318320155 /nfs/dbraw/zinc/32/01/55/318320155.db2.gz WSEVCHPVTOUVBH-LPHOPBHVSA-N 1 3 343.515 2.934 20 0 EFADHO CN(C(=O)CCCC[NH+](C)C)C1CCN(Cc2ccccc2)CC1 ZINC000555078956 318344975 /nfs/dbraw/zinc/34/49/75/318344975.db2.gz DRSTUTSUOYDISD-UHFFFAOYSA-N 1 3 331.504 2.841 20 0 EFADHO Cc1cc(N2CCC(N[C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)nc(C)n1 ZINC000556952143 318420942 /nfs/dbraw/zinc/42/09/42/318420942.db2.gz VTCXUWWMGPOSSN-HNAYVOBHSA-N 1 3 345.535 2.963 20 0 EFADHO CC(C)[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000560882666 318580049 /nfs/dbraw/zinc/58/00/49/318580049.db2.gz UOUMWXIAPJXRNU-FQEVSTJZSA-N 1 3 343.515 2.908 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+]C2(C3CC3)CC2)CC1 ZINC000563479937 318788315 /nfs/dbraw/zinc/78/83/15/318788315.db2.gz PBHZAZJKEFZFDE-UHFFFAOYSA-N 1 3 341.499 2.608 20 0 EFADHO Cc1ccc(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c(C)c1 ZINC000563528837 318793248 /nfs/dbraw/zinc/79/32/48/318793248.db2.gz JADPCTKIKJNKPY-HXUWFJFHSA-N 1 3 342.483 2.895 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](N)c1ccccc1 ZINC000563588292 318799606 /nfs/dbraw/zinc/79/96/06/318799606.db2.gz ZGXQSRTVXRUNCU-BZSNNMDCSA-N 1 3 329.488 2.561 20 0 EFADHO FC(F)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000565827630 319006449 /nfs/dbraw/zinc/00/64/49/319006449.db2.gz QGYQTPNTIUILJF-BRWVUGGUSA-N 1 3 340.414 2.577 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[NH2+]C(C)C ZINC000565941025 319016420 /nfs/dbraw/zinc/01/64/20/319016420.db2.gz KMXDMUBPPIANKJ-UHFFFAOYSA-N 1 3 334.508 2.668 20 0 EFADHO O=C(NCCN1CCCCCC1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000566017266 319024034 /nfs/dbraw/zinc/02/40/34/319024034.db2.gz GVNVLBYMRGWZEK-ZWKOTPCHSA-N 1 3 349.906 2.635 20 0 EFADHO C[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000566090831 319031075 /nfs/dbraw/zinc/03/10/75/319031075.db2.gz PTXCGLZYSUWCGO-QAPCUYQASA-N 1 3 336.524 2.613 20 0 EFADHO C/C=C/c1ccc(OC[C@H](O)CNC2CC[NH+](CC)CC2)c(OC)c1 ZINC000566107569 319033086 /nfs/dbraw/zinc/03/30/86/319033086.db2.gz LVVYOJUCOUIWQO-MJICGBHWSA-N 1 3 348.487 2.542 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000566131502 319037989 /nfs/dbraw/zinc/03/79/89/319037989.db2.gz MAKOCPVWFUCUAM-CJNGLKHVSA-N 1 3 342.405 2.849 20 0 EFADHO CC1CCN([C@H](CNC(=O)N(C)C2CC([NH3+])C2)c2ccccc2)CC1 ZINC000566609884 319094319 /nfs/dbraw/zinc/09/43/19/319094319.db2.gz FKUUJURHKNWKFF-CTWPCTMYSA-N 1 3 344.503 2.591 20 0 EFADHO CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000566628207 319096690 /nfs/dbraw/zinc/09/66/90/319096690.db2.gz AVCVMXMJFYWAFT-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000566726669 319105246 /nfs/dbraw/zinc/10/52/46/319105246.db2.gz PPHZDPCBBCJBDA-UHFFFAOYSA-N 1 3 330.476 2.718 20 0 EFADHO C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H](N)c1ccccc1 ZINC000566845609 319115259 /nfs/dbraw/zinc/11/52/59/319115259.db2.gz FIAJCEKRYZDHJA-MLGOLLRUSA-N 1 3 344.484 2.885 20 0 EFADHO Cc1ccc([C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C2CC2)cc1 ZINC000567042430 319132544 /nfs/dbraw/zinc/13/25/44/319132544.db2.gz DNERGWZBYVKZIT-SFHVURJKSA-N 1 3 325.460 2.821 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000567343995 319162101 /nfs/dbraw/zinc/16/21/01/319162101.db2.gz MZYIMKFDEGDOPK-LNLFQRSKSA-N 1 3 340.446 2.882 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567345348 319162615 /nfs/dbraw/zinc/16/26/15/319162615.db2.gz DQYMQBCKJGPTQZ-MJGOQNOKSA-N 1 3 342.483 2.901 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc([C@H]3C[C@@H]3C)o2)CC[NH2+]CC1 ZINC000567646847 319192469 /nfs/dbraw/zinc/19/24/69/319192469.db2.gz DUHCITPADCVCRX-DZKIICNBSA-N 1 3 334.460 2.814 20 0 EFADHO N[C@H]1Cc2ccccc2N(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000567661443 319192958 /nfs/dbraw/zinc/19/29/58/319192958.db2.gz SKEWFPPMZNNDQU-MSOLQXFVSA-N 1 3 329.488 2.981 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCCC(=O)Nc2ccccc2)c1 ZINC000567679109 319195511 /nfs/dbraw/zinc/19/55/11/319195511.db2.gz LFIQABPLIJVGRE-UHFFFAOYSA-N 1 3 341.455 2.745 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000567689424 319197767 /nfs/dbraw/zinc/19/77/67/319197767.db2.gz JWGBCHACHDDFBV-BPQIPLTHSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000567689424 319197768 /nfs/dbraw/zinc/19/77/68/319197768.db2.gz JWGBCHACHDDFBV-BPQIPLTHSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000567689426 319197920 /nfs/dbraw/zinc/19/79/20/319197920.db2.gz JWGBCHACHDDFBV-NJAFHUGGSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000567689426 319197922 /nfs/dbraw/zinc/19/79/22/319197922.db2.gz JWGBCHACHDDFBV-NJAFHUGGSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000567689427 319198068 /nfs/dbraw/zinc/19/80/68/319198068.db2.gz JWGBCHACHDDFBV-NXHRZFHOSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000567689427 319198070 /nfs/dbraw/zinc/19/80/70/319198070.db2.gz JWGBCHACHDDFBV-NXHRZFHOSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H](NCCC(=O)Nc1cc(F)cc(F)c1)C(C)(C)C[NH+](C)C ZINC000567690068 319198283 /nfs/dbraw/zinc/19/82/83/319198283.db2.gz XODFNANWLJLFJP-GFCCVEGCSA-N 1 3 327.419 2.859 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000567845400 319217061 /nfs/dbraw/zinc/21/70/61/319217061.db2.gz WTBUCTFYEFMJIN-SZVBFZGTSA-N 1 3 347.478 2.671 20 0 EFADHO CCCN(CC1CC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568184845 319254718 /nfs/dbraw/zinc/25/47/18/319254718.db2.gz KUFATURJAMFTRK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H]1C[C@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568660907 319306918 /nfs/dbraw/zinc/30/69/18/319306918.db2.gz BAXBAXCQYNWDNR-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C(C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C(C)C ZINC000568786690 319319290 /nfs/dbraw/zinc/31/92/90/319319290.db2.gz AFWSQBCCDGFIKN-UHFFFAOYSA-N 1 3 333.520 2.996 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C1([NH3+])CCCCC1 ZINC000568869011 319326488 /nfs/dbraw/zinc/32/64/88/319326488.db2.gz HACXUWOFRCUQKU-UHFFFAOYSA-N 1 3 344.503 2.808 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000568873729 319326739 /nfs/dbraw/zinc/32/67/39/319326739.db2.gz JTKCUKYDPGFRLW-DOMZBBRYSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000568873729 319326742 /nfs/dbraw/zinc/32/67/42/319326742.db2.gz JTKCUKYDPGFRLW-DOMZBBRYSA-N 1 3 330.394 2.681 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568882181 319328299 /nfs/dbraw/zinc/32/82/99/319328299.db2.gz WFWRAFLEIPEWGI-WDEREUQCSA-N 1 3 337.773 2.992 20 0 EFADHO CN1CCC(N2CCC([NH2+]C3CCC4(CCCO4)CC3)CC2)CC1 ZINC000568933988 319331105 /nfs/dbraw/zinc/33/11/05/319331105.db2.gz PKJGELCPECMIMW-UHFFFAOYSA-N 1 3 335.536 2.626 20 0 EFADHO C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000569075226 319344946 /nfs/dbraw/zinc/34/49/46/319344946.db2.gz WPBLLSSOXQFSIU-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[C@@H](N)c1ccccc1 ZINC000569086243 319347063 /nfs/dbraw/zinc/34/70/63/319347063.db2.gz PFPYPFWDVBJSFW-ROUUACIJSA-N 1 3 329.488 2.703 20 0 EFADHO [NH3+]CCc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000569113741 319349953 /nfs/dbraw/zinc/34/99/53/319349953.db2.gz UKXMFESLUVKWNO-QGZVFWFLSA-N 1 3 343.496 2.816 20 0 EFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569376197 319375858 /nfs/dbraw/zinc/37/58/58/319375858.db2.gz QSTQHUFGQKRHHZ-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000569376197 319375861 /nfs/dbraw/zinc/37/58/61/319375861.db2.gz QSTQHUFGQKRHHZ-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000569743764 319409663 /nfs/dbraw/zinc/40/96/63/319409663.db2.gz CWMMKTIAEZPGAR-OAHLLOKOSA-N 1 3 330.476 2.574 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N2CCCC2)cc1 ZINC000569850895 319421415 /nfs/dbraw/zinc/42/14/15/319421415.db2.gz MENSYPWTRBDQGW-RBUKOAKNSA-N 1 3 329.488 2.780 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000570062131 319441590 /nfs/dbraw/zinc/44/15/90/319441590.db2.gz UCAPQEGOHWVLEJ-UXHICEINSA-N 1 3 340.471 2.591 20 0 EFADHO Cc1ccccc1C[C@@H]([NH2+]CCCCN1CCN(C)CC1)C1CC1 ZINC000571270613 319557473 /nfs/dbraw/zinc/55/74/73/319557473.db2.gz NTMZISCLIWJHOD-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000571999590 319626927 /nfs/dbraw/zinc/62/69/27/319626927.db2.gz LBOMFUIRQSNFCY-UXHICEINSA-N 1 3 337.467 2.813 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000572360920 319662006 /nfs/dbraw/zinc/66/20/06/319662006.db2.gz RHSDBILJUUAYSM-SFHVURJKSA-N 1 3 342.487 2.546 20 0 EFADHO CN1CCN(CCCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000573045340 319727893 /nfs/dbraw/zinc/72/78/93/319727893.db2.gz KWTJVUMQJNBSHH-UHFFFAOYSA-N 1 3 337.458 2.828 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCCC[C@H]3N)CC2)oc1C ZINC000574981246 319913633 /nfs/dbraw/zinc/91/36/33/319913633.db2.gz KLDQXGCZMPPBIE-MSOLQXFVSA-N 1 3 334.508 2.753 20 0 EFADHO Fc1ccccc1[C@@H](Cc1ccccc1)NCCN1CC[NH2+]CC1 ZINC000574989740 319915078 /nfs/dbraw/zinc/91/50/78/319915078.db2.gz BXWYKYIGBHZLGK-HXUWFJFHSA-N 1 3 327.447 2.604 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000575058575 319921204 /nfs/dbraw/zinc/92/12/04/319921204.db2.gz JDKHPPCOHITHLU-LJQANCHMSA-N 1 3 329.488 2.547 20 0 EFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000575157556 319930926 /nfs/dbraw/zinc/93/09/26/319930926.db2.gz PAKZKJZAPZACRT-RTBURBONSA-N 1 3 344.503 2.592 20 0 EFADHO CN1CCO[C@H]([C@H](NC2CCC([NH3+])CC2)c2ccc(Cl)cc2)C1 ZINC000575740721 319948944 /nfs/dbraw/zinc/94/89/44/319948944.db2.gz DWMGBTCARYQLDI-ZGUYJTEBSA-N 1 3 337.895 2.571 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000575744505 319949272 /nfs/dbraw/zinc/94/92/72/319949272.db2.gz ANDCAOSPHJUQCU-IBGZPJMESA-N 1 3 345.531 2.834 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000576277622 320000763 /nfs/dbraw/zinc/00/07/63/320000763.db2.gz JQGOBFIVQAUJGG-HNAWSFBYSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000576277622 320000764 /nfs/dbraw/zinc/00/07/64/320000764.db2.gz JQGOBFIVQAUJGG-HNAWSFBYSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000576277623 320000850 /nfs/dbraw/zinc/00/08/50/320000850.db2.gz JQGOBFIVQAUJGG-WBQJQJEBSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000576277623 320000852 /nfs/dbraw/zinc/00/08/52/320000852.db2.gz JQGOBFIVQAUJGG-WBQJQJEBSA-N 1 3 341.499 2.737 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000576607203 320032388 /nfs/dbraw/zinc/03/23/88/320032388.db2.gz MQRYLEACFQZYLA-IBGZPJMESA-N 1 3 341.499 2.806 20 0 EFADHO COC1(CNC[C@H](O)C[N@H+](C)C2CC2)CCC(c2ccccc2)CC1 ZINC000576697606 320040223 /nfs/dbraw/zinc/04/02/23/320040223.db2.gz BKMZEONQHCFEEG-CKHPTIKVSA-N 1 3 346.515 2.774 20 0 EFADHO COC1(CNC[C@H](O)C[N@@H+](C)C2CC2)CCC(c2ccccc2)CC1 ZINC000576697606 320040224 /nfs/dbraw/zinc/04/02/24/320040224.db2.gz BKMZEONQHCFEEG-CKHPTIKVSA-N 1 3 346.515 2.774 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000576709859 320041718 /nfs/dbraw/zinc/04/17/18/320041718.db2.gz YQYUMYDIRAJQAP-MDZRGWNJSA-N 1 3 333.520 2.630 20 0 EFADHO CSC[C@@H](O)CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577115567 320078897 /nfs/dbraw/zinc/07/88/97/320078897.db2.gz SMDLTNXBRVOTTL-GJZGRUSLSA-N 1 3 328.547 2.534 20 0 EFADHO CSC[C@@H](O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577115567 320078900 /nfs/dbraw/zinc/07/89/00/320078900.db2.gz SMDLTNXBRVOTTL-GJZGRUSLSA-N 1 3 328.547 2.534 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000577217724 320089472 /nfs/dbraw/zinc/08/94/72/320089472.db2.gz QPIXYMJKACWFSY-OTWHNJEPSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)N)CC3 ZINC000577620228 320128036 /nfs/dbraw/zinc/12/80/36/320128036.db2.gz USOTWQQJGJAWGS-AMVBQIFNSA-N 1 3 327.472 2.676 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N)CC3 ZINC000577620230 320128279 /nfs/dbraw/zinc/12/82/79/320128279.db2.gz USOTWQQJGJAWGS-PNQCTFMGSA-N 1 3 327.472 2.676 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000577688241 320133105 /nfs/dbraw/zinc/13/31/05/320133105.db2.gz JSGKFYRZTAYPNH-LNLFQRSKSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000577688241 320133107 /nfs/dbraw/zinc/13/31/07/320133107.db2.gz JSGKFYRZTAYPNH-LNLFQRSKSA-N 1 3 346.519 2.677 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000577733835 320139098 /nfs/dbraw/zinc/13/90/98/320139098.db2.gz FSPNJCCLIOBEQJ-LPHOPBHVSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000577733836 320139115 /nfs/dbraw/zinc/13/91/15/320139115.db2.gz FSPNJCCLIOBEQJ-QFBILLFUSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000577856473 320151517 /nfs/dbraw/zinc/15/15/17/320151517.db2.gz MYHZDLQPYWFBAC-KXBFYZLASA-N 1 3 338.455 2.812 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000577955439 320159888 /nfs/dbraw/zinc/15/98/88/320159888.db2.gz TUCOKEVMYHVMSM-JHDROBOHSA-N 1 3 347.478 2.508 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000578127444 320176353 /nfs/dbraw/zinc/17/63/53/320176353.db2.gz WAYNZSDKGQLWHR-SJORKVTESA-N 1 3 345.487 2.619 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000578226578 320186188 /nfs/dbraw/zinc/18/61/88/320186188.db2.gz DNJXBJOKVPQALP-FUHWJXTLSA-N 1 3 332.492 2.509 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000578407308 320202340 /nfs/dbraw/zinc/20/23/40/320202340.db2.gz QFRHMAAEYLYUBZ-GOSISDBHSA-N 1 3 331.504 2.688 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc2c1CCNC2 ZINC000578423556 320204335 /nfs/dbraw/zinc/20/43/35/320204335.db2.gz HRYMEEVTDDAHAI-INIZCTEOSA-N 1 3 330.476 2.670 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cccc2c1CCNC2 ZINC000578423556 320204337 /nfs/dbraw/zinc/20/43/37/320204337.db2.gz HRYMEEVTDDAHAI-INIZCTEOSA-N 1 3 330.476 2.670 20 0 EFADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000578461632 320208466 /nfs/dbraw/zinc/20/84/66/320208466.db2.gz CARSZGKNCWTURJ-LPHOPBHVSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C2=CCCC2)cc1 ZINC000578473887 320208942 /nfs/dbraw/zinc/20/89/42/320208942.db2.gz NXLLRQVPNMHOGW-UHFFFAOYSA-N 1 3 329.488 2.819 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578502747 320212151 /nfs/dbraw/zinc/21/21/51/320212151.db2.gz FLCRPVRQWNHAQX-SFHVURJKSA-N 1 3 330.476 2.922 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1)CNC2 ZINC000578502747 320212153 /nfs/dbraw/zinc/21/21/53/320212153.db2.gz FLCRPVRQWNHAQX-SFHVURJKSA-N 1 3 330.476 2.922 20 0 EFADHO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000578725834 320232762 /nfs/dbraw/zinc/23/27/62/320232762.db2.gz LMOHLCNGUSIQMI-SFHVURJKSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578739524 320234658 /nfs/dbraw/zinc/23/46/58/320234658.db2.gz DHFMJZDXHNTHSE-LJQANCHMSA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CNCC2 ZINC000578739524 320234661 /nfs/dbraw/zinc/23/46/61/320234661.db2.gz DHFMJZDXHNTHSE-LJQANCHMSA-N 1 3 344.503 2.964 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000578764053 320237847 /nfs/dbraw/zinc/23/78/47/320237847.db2.gz XJYSLIPHHMDLGC-IBGZPJMESA-N 1 3 329.488 2.502 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C1(CC)CC ZINC000181491576 323236529 /nfs/dbraw/zinc/23/65/29/323236529.db2.gz TWCXFSNEBWPMEL-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000182456899 323284496 /nfs/dbraw/zinc/28/44/96/323284496.db2.gz JAJIHAHPVSPPBX-XDNAFOTISA-N 1 3 344.565 2.690 20 0 EFADHO C[C@@H](CCNC(=O)N(CCN(C)C)C1CCCC1)[NH+]1CCCCC1 ZINC000182704053 323296947 /nfs/dbraw/zinc/29/69/47/323296947.db2.gz RNXLCJNFYKBOKJ-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000183086448 323315470 /nfs/dbraw/zinc/31/54/70/323315470.db2.gz BBKKHOSQUPRKPW-ZWKOTPCHSA-N 1 3 344.565 2.690 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000183086388 323315964 /nfs/dbraw/zinc/31/59/64/323315964.db2.gz BBKKHOSQUPRKPW-MSOLQXFVSA-N 1 3 344.565 2.690 20 0 EFADHO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183793940 323348642 /nfs/dbraw/zinc/34/86/42/323348642.db2.gz AVTJLDXUCOMXOH-LPHOPBHVSA-N 1 3 331.504 2.894 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000184696942 323371520 /nfs/dbraw/zinc/37/15/20/323371520.db2.gz QCQAMUJRSGMXPC-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)ncn1 ZINC000579687210 324011132 /nfs/dbraw/zinc/01/11/32/324011132.db2.gz FSADMJKUWKNTBH-GUDVDZBRSA-N 1 3 343.519 2.518 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000579715176 324019251 /nfs/dbraw/zinc/01/92/51/324019251.db2.gz RHQZZQWPMWHTIO-UHOSZYNNSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000579827862 324039998 /nfs/dbraw/zinc/03/99/98/324039998.db2.gz XTCYVNMCMVTIQU-CVEARBPZSA-N 1 3 340.895 2.790 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CNCc2ccccc21)CC(C)C ZINC000579833788 324041889 /nfs/dbraw/zinc/04/18/89/324041889.db2.gz HUPFQSRDXVALLH-IEBWSBKVSA-N 1 3 331.504 2.746 20 0 EFADHO CC[NH+]1CCC(n2nccc2NC(=O)[C@H](CC(C)(C)C)NC)CC1 ZINC000580195528 324118386 /nfs/dbraw/zinc/11/83/86/324118386.db2.gz AJHRYGXWVMMDCU-HNNXBMFYSA-N 1 3 335.496 2.503 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000580772081 324232315 /nfs/dbraw/zinc/23/23/15/324232315.db2.gz UEJNQKUNBCTOKS-SOLBZPMBSA-N 1 3 349.544 2.984 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](N)c4ccccc43)CC2)nc(C)n1 ZINC000581005692 324284916 /nfs/dbraw/zinc/28/49/16/324284916.db2.gz ALCADDBZUGDOJO-MOPGFXCFSA-N 1 3 337.471 2.797 20 0 EFADHO Cc1cc(N2CCC(N[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)nc(C)n1 ZINC000581005692 324284920 /nfs/dbraw/zinc/28/49/20/324284920.db2.gz ALCADDBZUGDOJO-MOPGFXCFSA-N 1 3 337.471 2.797 20 0 EFADHO O=C(CCNCc1ccccc1C[NH+]1CCCC1)Nc1cccnc1 ZINC000581126620 324309832 /nfs/dbraw/zinc/30/98/32/324309832.db2.gz WMSNLYSVIILNBE-UHFFFAOYSA-N 1 3 338.455 2.796 20 0 EFADHO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000581185169 324322243 /nfs/dbraw/zinc/32/22/43/324322243.db2.gz DKNVTMUZGMIECR-WSCSCYJOSA-N 1 3 339.487 2.827 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCC[N@@H+](C)CCN(C)C ZINC000581456549 324381004 /nfs/dbraw/zinc/38/10/04/324381004.db2.gz JXQIHKLYOUAFHW-UHFFFAOYSA-N 1 3 337.556 2.570 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCC[N@H+](C)CCN(C)C ZINC000581456549 324381007 /nfs/dbraw/zinc/38/10/07/324381007.db2.gz JXQIHKLYOUAFHW-UHFFFAOYSA-N 1 3 337.556 2.570 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN(C)CCCN(C)CC[NH+](C)C ZINC000581456549 324381011 /nfs/dbraw/zinc/38/10/11/324381011.db2.gz JXQIHKLYOUAFHW-UHFFFAOYSA-N 1 3 337.556 2.570 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000581884568 324473539 /nfs/dbraw/zinc/47/35/39/324473539.db2.gz OOLLUVBHXFXCRX-HOCLYGCPSA-N 1 3 330.472 2.840 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C1 ZINC000582952329 324705589 /nfs/dbraw/zinc/70/55/89/324705589.db2.gz SOZMHRLIPFBQNR-HOTGVXAUSA-N 1 3 346.500 2.857 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000583133907 324745715 /nfs/dbraw/zinc/74/57/15/324745715.db2.gz ZSGAFZFGGQJWCS-GOSISDBHSA-N 1 3 332.492 2.511 20 0 EFADHO N[C@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000583311691 324784765 /nfs/dbraw/zinc/78/47/65/324784765.db2.gz FIABYHPGBCYBAY-CQSZACIVSA-N 1 3 330.457 2.639 20 0 EFADHO Cc1c([C@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000583316489 324785564 /nfs/dbraw/zinc/78/55/64/324785564.db2.gz KFVHLVXEBSEDQN-ZDUSSCGKSA-N 1 3 329.423 2.675 20 0 EFADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCC[C@@H](C)C1 ZINC000042909531 472181289 /nfs/dbraw/zinc/18/12/89/472181289.db2.gz KEKVNRDLNIVGCW-CABCVRRESA-N 1 3 338.540 2.715 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000101975457 472559193 /nfs/dbraw/zinc/55/91/93/472559193.db2.gz GXFCFAUJYRKZAL-SFHVURJKSA-N 1 3 334.508 2.709 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000101975457 472559201 /nfs/dbraw/zinc/55/92/01/472559201.db2.gz GXFCFAUJYRKZAL-SFHVURJKSA-N 1 3 334.508 2.709 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000101972898 472559562 /nfs/dbraw/zinc/55/95/62/472559562.db2.gz OWQAQDIJLRRYDD-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC1 ZINC000101972898 472559572 /nfs/dbraw/zinc/55/95/72/472559572.db2.gz OWQAQDIJLRRYDD-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000155641658 472587813 /nfs/dbraw/zinc/58/78/13/472587813.db2.gz FBVYOQFFZLFTEJ-OLZOCXBDSA-N 1 3 329.410 2.781 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000158595064 472950670 /nfs/dbraw/zinc/95/06/70/472950670.db2.gz IMBVZYKTZDSVCG-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000155768938 472612668 /nfs/dbraw/zinc/61/26/68/472612668.db2.gz JRHBNYLUNJKCKA-WDSOQIARSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000155768938 472612673 /nfs/dbraw/zinc/61/26/73/472612673.db2.gz JRHBNYLUNJKCKA-WDSOQIARSA-N 1 3 331.504 2.730 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CN(C)CC)C2)cc1 ZINC000137748246 473211611 /nfs/dbraw/zinc/21/16/11/473211611.db2.gz KNRWDVKTEZIOSB-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](CN(C)CC)C2)cc1 ZINC000137748246 473211615 /nfs/dbraw/zinc/21/16/15/473211615.db2.gz KNRWDVKTEZIOSB-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CC1CCN(CCNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000111466776 473214912 /nfs/dbraw/zinc/21/49/12/473214912.db2.gz FZGXPEBBKIFMQC-UHFFFAOYSA-N 1 3 338.540 2.674 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111509876 473217164 /nfs/dbraw/zinc/21/71/64/473217164.db2.gz KROHKUYNEBYKOA-SFHVURJKSA-N 1 3 338.540 2.816 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161648723 473250216 /nfs/dbraw/zinc/25/02/16/473250216.db2.gz HYFIPRQCYSOBEM-INIZCTEOSA-N 1 3 331.504 2.516 20 0 EFADHO C[C@H]1C[C@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@@H+]1C ZINC000532205184 468103080 /nfs/dbraw/zinc/10/30/80/468103080.db2.gz YULWCTCFEFLNAG-DOTOQJQBSA-N 1 3 325.460 2.628 20 0 EFADHO C[C@H]1C[C@H](NCCNc2ccc(-c3ccccc3)nn2)CC[N@H+]1C ZINC000532205184 468103083 /nfs/dbraw/zinc/10/30/83/468103083.db2.gz YULWCTCFEFLNAG-DOTOQJQBSA-N 1 3 325.460 2.628 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161972125 473287627 /nfs/dbraw/zinc/28/76/27/473287627.db2.gz VVCJTMASKJMQGQ-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000177052117 473294274 /nfs/dbraw/zinc/29/42/74/473294274.db2.gz XXOJYQVDJKTCFY-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000177052117 473294277 /nfs/dbraw/zinc/29/42/77/473294277.db2.gz XXOJYQVDJKTCFY-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000124745911 473295987 /nfs/dbraw/zinc/29/59/87/473295987.db2.gz HYLDUZOCRWKHAR-KVSKMBFKSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000124745911 473295995 /nfs/dbraw/zinc/29/59/95/473295995.db2.gz HYLDUZOCRWKHAR-KVSKMBFKSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000190503876 473298315 /nfs/dbraw/zinc/29/83/15/473298315.db2.gz SUYZPLMMYQVVBB-FUHIMQAGSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067735 473298652 /nfs/dbraw/zinc/29/86/52/473298652.db2.gz ISDJFVFSJLOKGR-BHIYHBOVSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067735 473298661 /nfs/dbraw/zinc/29/86/61/473298661.db2.gz ISDJFVFSJLOKGR-BHIYHBOVSA-N 1 3 341.499 2.640 20 0 EFADHO CCN(CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000171156099 473304052 /nfs/dbraw/zinc/30/40/52/473304052.db2.gz AYPBPWIJPXZJLQ-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000083169904 473326075 /nfs/dbraw/zinc/32/60/75/473326075.db2.gz MJXVBQOZTLKSJV-UHFFFAOYSA-N 1 3 336.455 2.541 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000083213710 473333035 /nfs/dbraw/zinc/33/30/35/473333035.db2.gz QMNUQUZTVHBJIM-OAHLLOKOSA-N 1 3 336.455 2.543 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1cc(N)ccc1F ZINC000083213710 473333037 /nfs/dbraw/zinc/33/30/37/473333037.db2.gz QMNUQUZTVHBJIM-OAHLLOKOSA-N 1 3 336.455 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000150829955 473362451 /nfs/dbraw/zinc/36/24/51/473362451.db2.gz ZLTFUIXSOMZHBW-RBUKOAKNSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000150829955 473362458 /nfs/dbraw/zinc/36/24/58/473362458.db2.gz ZLTFUIXSOMZHBW-RBUKOAKNSA-N 1 3 331.504 2.553 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccccc1OC(F)F ZINC000177386356 473369168 /nfs/dbraw/zinc/36/91/68/473369168.db2.gz QRXDMQJRMASPJG-UHFFFAOYSA-N 1 3 341.446 2.746 20 0 EFADHO COCCN(C)c1ccc(CNCc2cccc(C[NH+](C)C)c2)cn1 ZINC000190728673 473376420 /nfs/dbraw/zinc/37/64/20/473376420.db2.gz JHMFBWIGLMFEMO-UHFFFAOYSA-N 1 3 342.487 2.516 20 0 EFADHO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000185249982 473377008 /nfs/dbraw/zinc/37/70/08/473377008.db2.gz IZWYBSABCOKIEW-IAGOWNOFSA-N 1 3 335.492 2.704 20 0 EFADHO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000185249965 473377410 /nfs/dbraw/zinc/37/74/10/473377410.db2.gz IZWYBSABCOKIEW-IRXDYDNUSA-N 1 3 335.492 2.704 20 0 EFADHO CN(CCn1cccn1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000125293643 473389604 /nfs/dbraw/zinc/38/96/04/473389604.db2.gz WBUMUNYWVNIPPX-UHFFFAOYSA-N 1 3 341.503 2.546 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)CCO2 ZINC000150972398 473389705 /nfs/dbraw/zinc/38/97/05/473389705.db2.gz UBKXGMOUBRWSQN-IBGZPJMESA-N 1 3 331.504 2.688 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cccnc3)CC2)C[C@@H](C)O1 ZINC000177495166 473389814 /nfs/dbraw/zinc/38/98/14/473389814.db2.gz RJECFJZGCIKZKD-QZTJIDSGSA-N 1 3 331.504 2.835 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000177500216 473390806 /nfs/dbraw/zinc/39/08/06/473390806.db2.gz VUQUMUVBGNRQKY-HDICACEKSA-N 1 3 331.504 2.835 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798284 476781086 /nfs/dbraw/zinc/78/10/86/476781086.db2.gz QLYWTSTXMNKLAZ-IGCXYCKISA-N 1 3 328.859 2.737 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422798284 476781093 /nfs/dbraw/zinc/78/10/93/476781093.db2.gz QLYWTSTXMNKLAZ-IGCXYCKISA-N 1 3 328.859 2.737 20 0 EFADHO C[C@H](NCCCCn1cc(Br)cn1)[C@H]1CCCC[NH2+]1 ZINC000423080352 476921267 /nfs/dbraw/zinc/92/12/67/476921267.db2.gz ACGTXRQNCXKDON-GXTWGEPZSA-N 1 3 329.286 2.546 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000395551862 476844628 /nfs/dbraw/zinc/84/46/28/476844628.db2.gz ARGOVXCJUKROEG-GOSISDBHSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CN ZINC000430555975 476857775 /nfs/dbraw/zinc/85/77/75/476857775.db2.gz KAWVJNABQHKZQC-DOMZBBRYSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CN ZINC000430555975 476857783 /nfs/dbraw/zinc/85/77/83/476857783.db2.gz KAWVJNABQHKZQC-DOMZBBRYSA-N 1 3 334.851 2.992 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399363768 476882191 /nfs/dbraw/zinc/88/21/91/476882191.db2.gz ILCLXUZHQDHGMD-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000423083184 476922565 /nfs/dbraw/zinc/92/25/65/476922565.db2.gz FLZINJHKUIELHE-TZMCWYRMSA-N 1 3 329.286 2.533 20 0 EFADHO C[C@@H]1C[C@@H](C)N(C(=O)c2cccc(CN3CCCC3)c2)C[C@H]1C[NH3+] ZINC000424079736 477285587 /nfs/dbraw/zinc/28/55/87/477285587.db2.gz UOXITYAZIIBTJT-GPMSIDNRSA-N 1 3 329.488 2.728 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416783408 477308454 /nfs/dbraw/zinc/30/84/54/477308454.db2.gz HCCAOJGZAAZDLB-MOPGFXCFSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000628425729 479898602 /nfs/dbraw/zinc/89/86/02/479898602.db2.gz TVXDWHBVKIKENB-IRXDYDNUSA-N 1 3 347.503 2.655 20 0 EFADHO COCCc1ncc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000631124307 479908750 /nfs/dbraw/zinc/90/87/50/479908750.db2.gz USEYYOJOJJIOLY-QGZVFWFLSA-N 1 3 345.512 2.944 20 0 EFADHO CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000619903472 479916072 /nfs/dbraw/zinc/91/60/72/479916072.db2.gz CCKMTCZLABUOBZ-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000619903472 479916080 /nfs/dbraw/zinc/91/60/80/479916080.db2.gz CCKMTCZLABUOBZ-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN1CCN(CC2CC2)CC1 ZINC000613268070 479944507 /nfs/dbraw/zinc/94/45/07/479944507.db2.gz ILJDLWQLZRVYHL-UHFFFAOYSA-N 1 3 343.515 2.689 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[N@H+](C)C(C)C ZINC000067419877 472032662 /nfs/dbraw/zinc/03/26/62/472032662.db2.gz CANAVUXNGXVNKS-UHFFFAOYSA-N 1 3 334.508 2.620 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[N@@H+](C)C(C)C ZINC000067419877 472032664 /nfs/dbraw/zinc/03/26/64/472032664.db2.gz CANAVUXNGXVNKS-UHFFFAOYSA-N 1 3 334.508 2.620 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000067704799 472075978 /nfs/dbraw/zinc/07/59/78/472075978.db2.gz RCAWLKINXUIUFQ-QRVBRYPASA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)N(C)C)cc1 ZINC000067704799 472075981 /nfs/dbraw/zinc/07/59/81/472075981.db2.gz RCAWLKINXUIUFQ-QRVBRYPASA-N 1 3 344.503 2.524 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000067708008 472077170 /nfs/dbraw/zinc/07/71/70/472077170.db2.gz FAHLEMJXIOSZJX-MJGOQNOKSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC000054717905 472111180 /nfs/dbraw/zinc/11/11/80/472111180.db2.gz URRUQHBGTODSKO-MJGOQNOKSA-N 1 3 344.503 2.607 20 0 EFADHO [NH3+]CCC1CCN(CCOc2cccc(Br)c2)CC1 ZINC000042427848 472137086 /nfs/dbraw/zinc/13/70/86/472137086.db2.gz SJEACMIKPITEKE-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075886061 472214090 /nfs/dbraw/zinc/21/40/90/472214090.db2.gz NGXDLTDWJMJMAL-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000076042097 472246790 /nfs/dbraw/zinc/24/67/90/472246790.db2.gz HOXNJWOAHCZVHC-QGZVFWFLSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)C1=CCN(C)CC1 ZINC000613376376 479978779 /nfs/dbraw/zinc/97/87/79/479978779.db2.gz SYPIONKHHCBPNR-XLIONFOSSA-N 1 3 341.499 2.633 20 0 EFADHO C[C@H](NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1)C1=CCN(C)CC1 ZINC000613376374 479978872 /nfs/dbraw/zinc/97/88/72/479978872.db2.gz SYPIONKHHCBPNR-PXNSSMCTSA-N 1 3 341.499 2.633 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000044276597 472293728 /nfs/dbraw/zinc/29/37/28/472293728.db2.gz DUSMMCVXNMNEEX-CVEARBPZSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000044276597 472293734 /nfs/dbraw/zinc/29/37/34/472293734.db2.gz DUSMMCVXNMNEEX-CVEARBPZSA-N 1 3 332.492 2.990 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000076204888 472298428 /nfs/dbraw/zinc/29/84/28/472298428.db2.gz YFGDIHLJIKCBOC-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000076204888 472298432 /nfs/dbraw/zinc/29/84/32/472298432.db2.gz YFGDIHLJIKCBOC-RBUKOAKNSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CN1CCC(CC[NH+](C)C)CC1 ZINC000056523111 472332487 /nfs/dbraw/zinc/33/24/87/472332487.db2.gz FASMNNDNUZVZER-LJQANCHMSA-N 1 3 334.504 2.707 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000088348689 472358502 /nfs/dbraw/zinc/35/85/02/472358502.db2.gz HBPBEJLAEVQHHG-UHFFFAOYSA-N 1 3 329.444 2.545 20 0 EFADHO C[C@@H](NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000069652983 472389238 /nfs/dbraw/zinc/38/92/38/472389238.db2.gz SMONHFYYQCOOKZ-CYBMUJFWSA-N 1 3 341.293 2.804 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116415851 472404292 /nfs/dbraw/zinc/40/42/92/472404292.db2.gz GAXOSCMOJBUEBW-GOSISDBHSA-N 1 3 348.535 2.914 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116418390 472404487 /nfs/dbraw/zinc/40/44/87/472404487.db2.gz NPFIGLCIXDZPHJ-GOSISDBHSA-N 1 3 348.535 2.914 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2CCN(C)CC2)CC1 ZINC000116521499 472417437 /nfs/dbraw/zinc/41/74/37/472417437.db2.gz VUKMKNZCJWYICJ-INIZCTEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)C(C)(C)C ZINC000116566847 472420898 /nfs/dbraw/zinc/42/08/98/472420898.db2.gz GWNYCBQIADJUBI-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCCN(C(C)C)CC1)CC(C)C ZINC000069764509 472421985 /nfs/dbraw/zinc/42/19/85/472421985.db2.gz UMVVXLINQUVJNW-GOSISDBHSA-N 1 3 340.556 2.869 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000154352354 472422278 /nfs/dbraw/zinc/42/22/78/472422278.db2.gz XKKBJZCDIOZCEG-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cnc2ccsc2c1 ZINC000154414997 472430680 /nfs/dbraw/zinc/43/06/80/472430680.db2.gz JJFTVDCLCSRSCA-HNNXBMFYSA-N 1 3 332.517 2.975 20 0 EFADHO Cc1cccc(C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c1 ZINC000154432771 472433959 /nfs/dbraw/zinc/43/39/59/472433959.db2.gz SOHHAMAMZNKJEV-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000128316751 472435330 /nfs/dbraw/zinc/43/53/30/472435330.db2.gz UGLDOPYMOZAAQM-SFHVURJKSA-N 1 3 347.503 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)N(C)C ZINC000116816357 472440674 /nfs/dbraw/zinc/44/06/74/472440674.db2.gz MLMDPUWIDKESCK-INIZCTEOSA-N 1 3 341.883 2.805 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000128361087 472441547 /nfs/dbraw/zinc/44/15/47/472441547.db2.gz CTVQOOSORMENEP-GOSISDBHSA-N 1 3 349.519 2.772 20 0 EFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1[C@H](C)CC[C@H]1C ZINC000089461075 472443182 /nfs/dbraw/zinc/44/31/82/472443182.db2.gz PPENAOWOZDUXGL-ZACQAIPSSA-N 1 3 344.503 2.676 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@@H+](C(C)C)CC2)N(C)C)cc1 ZINC000069819455 472443716 /nfs/dbraw/zinc/44/37/16/472443716.db2.gz PFZOJCZPHYHYJH-IBGZPJMESA-N 1 3 346.519 2.723 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)C)CC2)N(C)C)cc1 ZINC000069819455 472443723 /nfs/dbraw/zinc/44/37/23/472443723.db2.gz PFZOJCZPHYHYJH-IBGZPJMESA-N 1 3 346.519 2.723 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000089512875 472453276 /nfs/dbraw/zinc/45/32/76/472453276.db2.gz WWHHIVCEVREZEL-AWEZNQCLSA-N 1 3 328.464 2.576 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000128572230 472470192 /nfs/dbraw/zinc/47/01/92/472470192.db2.gz IWUQDCODZKIVME-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO Cc1cccc(C[C@H]([NH2+]CCCN2CCCN(C)CC2)C2CC2)c1 ZINC000128633764 472477887 /nfs/dbraw/zinc/47/78/87/472477887.db2.gz NCOWNIFUWBYJQC-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N2CCCC2)c1 ZINC000154852725 472479316 /nfs/dbraw/zinc/47/93/16/472479316.db2.gz DDFNGKVDMSXJCG-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154852725 472479321 /nfs/dbraw/zinc/47/93/21/472479321.db2.gz DDFNGKVDMSXJCG-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)c1 ZINC000154852725 472479329 /nfs/dbraw/zinc/47/93/29/472479329.db2.gz DDFNGKVDMSXJCG-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H]2CCN(C)C[C@@H]2C)N2CCCC2)c1 ZINC000154852817 472479510 /nfs/dbraw/zinc/47/95/10/472479510.db2.gz DDFNGKVDMSXJCG-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000154852817 472479514 /nfs/dbraw/zinc/47/95/14/472479514.db2.gz DDFNGKVDMSXJCG-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)c1 ZINC000154852817 472479519 /nfs/dbraw/zinc/47/95/19/472479519.db2.gz DDFNGKVDMSXJCG-VDGAXYAQSA-N 1 3 331.504 2.762 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1 ZINC000101602755 472542977 /nfs/dbraw/zinc/54/29/77/472542977.db2.gz KIDFLNCSCGKLFJ-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCc1ccc(C)cc1 ZINC000101602755 472542981 /nfs/dbraw/zinc/54/29/81/472542981.db2.gz KIDFLNCSCGKLFJ-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CN(CCC[NH+]1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000119286252 472543946 /nfs/dbraw/zinc/54/39/46/472543946.db2.gz WCAIRWQGCAKDKH-UHFFFAOYSA-N 1 3 325.497 2.804 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCCC[NH+](C)C ZINC000077638325 472572025 /nfs/dbraw/zinc/57/20/25/472572025.db2.gz WKELBRMMBGDXIU-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO Cc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1 ZINC000119691085 472576466 /nfs/dbraw/zinc/57/64/66/472576466.db2.gz NGDFKIJLMDHYEA-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000155626505 472583383 /nfs/dbraw/zinc/58/33/83/472583383.db2.gz IJNUBUYTZDKDHR-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000155626505 472583386 /nfs/dbraw/zinc/58/33/86/472583386.db2.gz IJNUBUYTZDKDHR-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000090038844 472584118 /nfs/dbraw/zinc/58/41/18/472584118.db2.gz LPKVMCBCBCHIMO-OAHLLOKOSA-N 1 3 343.446 2.968 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1cccc(OC)c1 ZINC000119897144 472598538 /nfs/dbraw/zinc/59/85/38/472598538.db2.gz ANKXVPQOWWWMJC-AZUAARDMSA-N 1 3 347.503 2.584 20 0 EFADHO CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000077754448 472601776 /nfs/dbraw/zinc/60/17/76/472601776.db2.gz CMOPOSLGLRSEGZ-GOSISDBHSA-N 1 3 334.508 2.581 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000155791213 472615253 /nfs/dbraw/zinc/61/52/53/472615253.db2.gz ZISWLNBLTZXRRW-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CC[C@@H](N)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000130585646 472615779 /nfs/dbraw/zinc/61/57/79/472615779.db2.gz UXAWRMDHNCUTIN-HXUWFJFHSA-N 1 3 339.483 2.932 20 0 EFADHO CC(C)N(C)C(=O)CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000103228079 472618748 /nfs/dbraw/zinc/61/87/48/472618748.db2.gz SMZPTTANJRLZAN-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)N(C)C(=O)CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000103228079 472618754 /nfs/dbraw/zinc/61/87/54/472618754.db2.gz SMZPTTANJRLZAN-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCCC2 ZINC000103211025 472618840 /nfs/dbraw/zinc/61/88/40/472618840.db2.gz XFCOCQKHWXLBSN-UHFFFAOYSA-N 1 3 337.533 2.582 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155918776 472639558 /nfs/dbraw/zinc/63/95/58/472639558.db2.gz AQODUVLSVJVJSC-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155918776 472639565 /nfs/dbraw/zinc/63/95/65/472639565.db2.gz AQODUVLSVJVJSC-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155931165 472642445 /nfs/dbraw/zinc/64/24/45/472642445.db2.gz SAAGDXODLJHAQM-BRWVUGGUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000156056544 472659535 /nfs/dbraw/zinc/65/95/35/472659535.db2.gz RDHZDHVNLDPUJA-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000072487619 472666646 /nfs/dbraw/zinc/66/66/46/472666646.db2.gz DDTGTMZUNHWMQE-LJQANCHMSA-N 1 3 346.519 2.711 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000090944759 472668367 /nfs/dbraw/zinc/66/83/67/472668367.db2.gz SKOZZYLTPHAILV-KBMXLJTQSA-N 1 3 325.497 2.610 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000090944759 472668372 /nfs/dbraw/zinc/66/83/72/472668372.db2.gz SKOZZYLTPHAILV-KBMXLJTQSA-N 1 3 325.497 2.610 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCN1CCCC1 ZINC000120385348 472679707 /nfs/dbraw/zinc/67/97/07/472679707.db2.gz HBFMVJDKEKDFIV-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCN1CCCC1 ZINC000120385348 472679712 /nfs/dbraw/zinc/67/97/12/472679712.db2.gz HBFMVJDKEKDFIV-HOTGVXAUSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000120465320 472692824 /nfs/dbraw/zinc/69/28/24/472692824.db2.gz ZLYNLGFCDPQWCF-PZJWPPBQSA-N 1 3 343.515 2.747 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156384380 472699899 /nfs/dbraw/zinc/69/98/99/472699899.db2.gz QXTZPAMKFFCODT-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CC[N@H+]1CCC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156384380 472699902 /nfs/dbraw/zinc/69/99/02/472699902.db2.gz QXTZPAMKFFCODT-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000156398416 472700901 /nfs/dbraw/zinc/70/09/01/472700901.db2.gz UHTOEBKYEGNJPO-ZIAGYGMSSA-N 1 3 329.444 2.694 20 0 EFADHO COc1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000072758799 472711527 /nfs/dbraw/zinc/71/15/27/472711527.db2.gz IUZZDOZEOJKYPN-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000072758799 472711533 /nfs/dbraw/zinc/71/15/33/472711533.db2.gz IUZZDOZEOJKYPN-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105068719 472718248 /nfs/dbraw/zinc/71/82/48/472718248.db2.gz YQULIXDPPFFLKI-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105068719 472718253 /nfs/dbraw/zinc/71/82/53/472718253.db2.gz YQULIXDPPFFLKI-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000105083238 472719286 /nfs/dbraw/zinc/71/92/86/472719286.db2.gz OLBWQEVFBCZUNA-RTBURBONSA-N 1 3 346.519 2.587 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000105090010 472721661 /nfs/dbraw/zinc/72/16/61/472721661.db2.gz KFZUJGWJYVDOIT-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(CN(C)C)cc2)C1 ZINC000105090010 472721667 /nfs/dbraw/zinc/72/16/67/472721667.db2.gz KFZUJGWJYVDOIT-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000061858664 472722027 /nfs/dbraw/zinc/72/20/27/472722027.db2.gz MLWDNUUKJWSSPD-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCN(C3CC3)CC2)c1 ZINC000061858664 472722030 /nfs/dbraw/zinc/72/20/30/472722030.db2.gz MLWDNUUKJWSSPD-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)N(C)C2CC2)c1 ZINC000105118868 472724856 /nfs/dbraw/zinc/72/48/56/472724856.db2.gz UHZYRCBTNNRRKZ-INIZCTEOSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)N(C)C ZINC000156570038 472726325 /nfs/dbraw/zinc/72/63/25/472726325.db2.gz DDTOESOEUDGDQB-UXHICEINSA-N 1 3 345.531 2.943 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)N(C)C ZINC000156570038 472726329 /nfs/dbraw/zinc/72/63/29/472726329.db2.gz DDTOESOEUDGDQB-UXHICEINSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[NH+](CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000047683035 472756633 /nfs/dbraw/zinc/75/66/33/472756633.db2.gz JZYCEFISXKSLMV-LJQANCHMSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)CCSCC(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000073035896 472761396 /nfs/dbraw/zinc/76/13/96/472761396.db2.gz FFRXLCGMYUCQOM-MRXNPFEDSA-N 1 3 343.581 2.688 20 0 EFADHO CC(C)[C@H](CNC1CCN(Cc2cccnc2)CC1)[NH+]1CCCC1 ZINC000133021261 472768661 /nfs/dbraw/zinc/76/86/61/472768661.db2.gz LDXVYYBDDZUVQX-FQEVSTJZSA-N 1 3 330.520 2.756 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000063467355 472779409 /nfs/dbraw/zinc/77/94/09/472779409.db2.gz SIPQDXKFRQRXEF-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000091592789 472780601 /nfs/dbraw/zinc/78/06/01/472780601.db2.gz KHELSQWRAHLPDS-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H](CN1CCOCC1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000091592789 472780609 /nfs/dbraw/zinc/78/06/09/472780609.db2.gz KHELSQWRAHLPDS-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157081623 472784080 /nfs/dbraw/zinc/78/40/80/472784080.db2.gz OYBFPUJSHYBGSZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157081623 472784082 /nfs/dbraw/zinc/78/40/82/472784082.db2.gz OYBFPUJSHYBGSZ-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccccc2C)CC1 ZINC000047978416 472791388 /nfs/dbraw/zinc/79/13/88/472791388.db2.gz UNAFXFULBYHFRS-IBGZPJMESA-N 1 3 334.504 2.789 20 0 EFADHO CC(C)C[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000063657177 472799464 /nfs/dbraw/zinc/79/94/64/472799464.db2.gz FHNLIRJQZUSRCX-UHFFFAOYSA-N 1 3 331.504 2.603 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)CC1 ZINC000133436619 472802947 /nfs/dbraw/zinc/80/29/47/472802947.db2.gz KPANZKRUCQWRAW-SFHVURJKSA-N 1 3 347.528 2.952 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000121130571 472802983 /nfs/dbraw/zinc/80/29/83/472802983.db2.gz MZPZAOZPDDJQMX-CVEARBPZSA-N 1 3 337.483 2.759 20 0 EFADHO C[NH+](C)C1(CNC(=O)NC2CCN(C3CC3)CC2)CCCCCC1 ZINC000048066216 472808546 /nfs/dbraw/zinc/80/85/46/472808546.db2.gz PIMNUIKWYPEADP-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)[N@H+](C)CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063738020 472809267 /nfs/dbraw/zinc/80/92/67/472809267.db2.gz DFKFNYUSBPZCHT-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[N@@H+](C)CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000063738020 472809275 /nfs/dbraw/zinc/80/92/75/472809275.db2.gz DFKFNYUSBPZCHT-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000079121134 472823238 /nfs/dbraw/zinc/82/32/38/472823238.db2.gz JRSHLTWZNJECEB-LJQANCHMSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121641 472823897 /nfs/dbraw/zinc/82/38/97/472823897.db2.gz XOLHOZQLJFGVFC-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000079121641 472823902 /nfs/dbraw/zinc/82/39/02/472823902.db2.gz XOLHOZQLJFGVFC-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO COC(=O)COc1c(C)cc(CNC2CC[NH+](C3CC3)CC2)cc1C ZINC000063903745 472826133 /nfs/dbraw/zinc/82/61/33/472826133.db2.gz SSPGJJMWLAIJPE-UHFFFAOYSA-N 1 3 346.471 2.572 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)NCCN(C)C)CCCC1)c1ccccc1 ZINC000133676636 472830089 /nfs/dbraw/zinc/83/00/89/472830089.db2.gz VJSGFFNEOBVPSH-INIZCTEOSA-N 1 3 332.492 2.511 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000079269908 472841477 /nfs/dbraw/zinc/84/14/77/472841477.db2.gz RWDSOQGTNJMUKG-MSOLQXFVSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000079269908 472841481 /nfs/dbraw/zinc/84/14/81/472841481.db2.gz RWDSOQGTNJMUKG-MSOLQXFVSA-N 1 3 338.540 2.530 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000157640659 472842638 /nfs/dbraw/zinc/84/26/38/472842638.db2.gz DQFQVURIYLJFDN-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000157640659 472842648 /nfs/dbraw/zinc/84/26/48/472842648.db2.gz DQFQVURIYLJFDN-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000157640507 472842694 /nfs/dbraw/zinc/84/26/94/472842694.db2.gz DQFQVURIYLJFDN-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000157640507 472842699 /nfs/dbraw/zinc/84/26/99/472842699.db2.gz DQFQVURIYLJFDN-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628297 472843508 /nfs/dbraw/zinc/84/35/08/472843508.db2.gz LZZOWTXMYGPXOD-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000079293522 472843656 /nfs/dbraw/zinc/84/36/56/472843656.db2.gz UNHMLJPJEVZCRW-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000079293522 472843662 /nfs/dbraw/zinc/84/36/62/472843662.db2.gz UNHMLJPJEVZCRW-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000079293527 472844429 /nfs/dbraw/zinc/84/44/29/472844429.db2.gz UNHMLJPJEVZCRW-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000079293527 472844435 /nfs/dbraw/zinc/84/44/35/472844435.db2.gz UNHMLJPJEVZCRW-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073677751 472851715 /nfs/dbraw/zinc/85/17/15/472851715.db2.gz MQTGAFHJPHLNHD-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000073677751 472851721 /nfs/dbraw/zinc/85/17/21/472851721.db2.gz MQTGAFHJPHLNHD-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000073713113 472860328 /nfs/dbraw/zinc/86/03/28/472860328.db2.gz CQPMRHZENAQDAW-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000073713113 472860333 /nfs/dbraw/zinc/86/03/33/472860333.db2.gz CQPMRHZENAQDAW-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000106647160 472876436 /nfs/dbraw/zinc/87/64/36/472876436.db2.gz SRBYODDMNUKZRQ-MBOZVWFJSA-N 1 3 332.488 2.541 20 0 EFADHO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000134181987 472882668 /nfs/dbraw/zinc/88/26/68/472882668.db2.gz USYKDDCHZAVWCK-UZLBHIALSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@@H](C)[C@@H](O)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134181987 472882676 /nfs/dbraw/zinc/88/26/76/472882676.db2.gz USYKDDCHZAVWCK-UZLBHIALSA-N 1 3 333.520 2.714 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073819800 472883620 /nfs/dbraw/zinc/88/36/20/472883620.db2.gz NOMYRIHMXHQGSU-QXAKKESOSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000073819800 472883624 /nfs/dbraw/zinc/88/36/24/472883624.db2.gz NOMYRIHMXHQGSU-QXAKKESOSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000079569679 472887457 /nfs/dbraw/zinc/88/74/57/472887457.db2.gz QYCDXPJCYGHUJL-IBGZPJMESA-N 1 3 346.519 2.663 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000158129262 472895546 /nfs/dbraw/zinc/89/55/46/472895546.db2.gz SVWGLWYFLNEJDZ-GOSISDBHSA-N 1 3 334.508 2.579 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000106908088 472910617 /nfs/dbraw/zinc/91/06/17/472910617.db2.gz ZRFGPJYJHNFTSH-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000092426685 472911702 /nfs/dbraw/zinc/91/17/02/472911702.db2.gz HHSGGQUYDWJFGH-UHFFFAOYSA-N 1 3 349.519 2.758 20 0 EFADHO CC(C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C(F)(F)F ZINC000079785358 472923040 /nfs/dbraw/zinc/92/30/40/472923040.db2.gz QIZGUTSZEXCLQE-JTQLQIEISA-N 1 3 331.338 2.714 20 0 EFADHO CC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000134582002 472932277 /nfs/dbraw/zinc/93/22/77/472932277.db2.gz DEHHECSKVHSSLA-YJBOKZPZSA-N 1 3 335.517 2.609 20 0 EFADHO Cc1cc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)oc2cc1C ZINC000080061047 472970533 /nfs/dbraw/zinc/97/05/33/472970533.db2.gz UFNGHRDZMWIAOH-UHFFFAOYSA-N 1 3 331.460 2.615 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(CCc2c(C)noc2C)CC1 ZINC000122209628 472989026 /nfs/dbraw/zinc/98/90/26/472989026.db2.gz ZFTDRPALDJUUNL-UHFFFAOYSA-N 1 3 337.508 2.904 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(CCc2c(C)noc2C)CC1 ZINC000122209628 472989031 /nfs/dbraw/zinc/98/90/31/472989031.db2.gz ZFTDRPALDJUUNL-UHFFFAOYSA-N 1 3 337.508 2.904 20 0 EFADHO CC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050799489 473011326 /nfs/dbraw/zinc/01/13/26/473011326.db2.gz VKVQIPITFRSZEB-HXUWFJFHSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCN1CC ZINC000074497806 473016457 /nfs/dbraw/zinc/01/64/57/473016457.db2.gz BNOPBEVTRODPIF-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(COC)CC2)CC1 ZINC000093103729 473043843 /nfs/dbraw/zinc/04/38/43/473043843.db2.gz RBOFDKWZCDCXPW-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000074710236 473050813 /nfs/dbraw/zinc/05/08/13/473050813.db2.gz QQLFBOHNMWYSHN-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066179007 473054722 /nfs/dbraw/zinc/05/47/22/473054722.db2.gz LZFRNJOCZCOEGJ-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000066179007 473054726 /nfs/dbraw/zinc/05/47/26/473054726.db2.gz LZFRNJOCZCOEGJ-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CC)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000051589536 473058957 /nfs/dbraw/zinc/05/89/57/473058957.db2.gz YGHKEVRGKZSPOR-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCN(CC)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000051589536 473058964 /nfs/dbraw/zinc/05/89/64/473058964.db2.gz YGHKEVRGKZSPOR-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608492269 480028523 /nfs/dbraw/zinc/02/85/23/480028523.db2.gz BNZFHGWACBYGOV-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000080671133 473066397 /nfs/dbraw/zinc/06/63/97/473066397.db2.gz BXBXDUDKNATTCC-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+](CC)CCNC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000074831793 473072530 /nfs/dbraw/zinc/07/25/30/473072530.db2.gz IKVGTHOTBOCTGY-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[C@H](CNC1CC[NH+](C(C)C)CC1)NC(=O)OC(C)(C)C ZINC000122912484 473072971 /nfs/dbraw/zinc/07/29/71/473072971.db2.gz WPBDHQWAWFXPDF-INIZCTEOSA-N 1 3 327.513 2.998 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2CCc2ccccc2)CC1 ZINC000052105840 473086923 /nfs/dbraw/zinc/08/69/23/473086923.db2.gz NJQZKEZBRZJHNF-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CC[NH+](CC)CCOC1CCN(CCc2scnc2C)CC1 ZINC000075007835 473111614 /nfs/dbraw/zinc/11/16/14/473111614.db2.gz XGYMZCCIJXYCCX-UHFFFAOYSA-N 1 3 325.522 2.817 20 0 EFADHO CC(C)CN(C(=O)CN1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000123375756 473133968 /nfs/dbraw/zinc/13/39/68/473133968.db2.gz FJLKMKVNAFNJHF-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)CN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000081047455 473137190 /nfs/dbraw/zinc/13/71/90/473137190.db2.gz GVJFKLUXILVIOK-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CCOC[C@H]1CC[N@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000093839230 473150049 /nfs/dbraw/zinc/15/00/49/473150049.db2.gz ZOKUGSSXSICBQF-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO CCOC[C@H]1CC[N@@H+](Cc2ccccc2N2CCN(CC)CC2)C1 ZINC000093839230 473150057 /nfs/dbraw/zinc/15/00/57/473150057.db2.gz ZOKUGSSXSICBQF-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000081256774 473168633 /nfs/dbraw/zinc/16/86/33/473168633.db2.gz UIMOIMKGRSFPNG-KRWDZBQOSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000081256774 473168638 /nfs/dbraw/zinc/16/86/38/473168638.db2.gz UIMOIMKGRSFPNG-KRWDZBQOSA-N 1 3 343.515 2.877 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000123834410 473190876 /nfs/dbraw/zinc/19/08/76/473190876.db2.gz UEDNDGXJFWEGMU-UHFFFAOYSA-N 1 3 348.487 2.935 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC(=O)OCC)cc2)CC1 ZINC000123834410 473190882 /nfs/dbraw/zinc/19/08/82/473190882.db2.gz UEDNDGXJFWEGMU-UHFFFAOYSA-N 1 3 348.487 2.935 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000150999550 473393927 /nfs/dbraw/zinc/39/39/27/473393927.db2.gz XGLFZHGYAWQDFX-INIZCTEOSA-N 1 3 347.503 2.525 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)[C@H]3CCOC3)CC2)c1 ZINC000125326381 473395084 /nfs/dbraw/zinc/39/50/84/473395084.db2.gz JEZSJUMQRUWPHM-UXHICEINSA-N 1 3 345.531 2.912 20 0 EFADHO COCC[C@@H](C)[NH2+]CCCCN1CCN(c2cccc(C)c2)CC1 ZINC000125337576 473396117 /nfs/dbraw/zinc/39/61/17/473396117.db2.gz DAEHHBNJIMTRSH-LJQANCHMSA-N 1 3 333.520 2.912 20 0 EFADHO CCCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1C ZINC000177568150 473400300 /nfs/dbraw/zinc/40/03/00/473400300.db2.gz FMPOAHCHDQKYIY-HZPDHXFCSA-N 1 3 336.524 2.889 20 0 EFADHO CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125389825 473403915 /nfs/dbraw/zinc/40/39/15/473403915.db2.gz IDQWWLQLFWNDQK-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125389825 473403921 /nfs/dbraw/zinc/40/39/21/473403921.db2.gz IDQWWLQLFWNDQK-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000113594398 473406279 /nfs/dbraw/zinc/40/62/79/473406279.db2.gz QYGLJKBRGQTDLB-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000113594398 473406283 /nfs/dbraw/zinc/40/62/83/473406283.db2.gz QYGLJKBRGQTDLB-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000185389952 473413981 /nfs/dbraw/zinc/41/39/81/473413981.db2.gz DTWGTKXZOYDMTO-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO Cc1nn(C)c(C)c1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000151139736 473415373 /nfs/dbraw/zinc/41/53/73/473415373.db2.gz YBGCVHLUPMKOGB-CQSZACIVSA-N 1 3 330.476 2.828 20 0 EFADHO CCN(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000190893448 473421621 /nfs/dbraw/zinc/42/16/21/473421621.db2.gz OPDOYVNYNRKTAX-CALCHBBNSA-N 1 3 334.508 2.517 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)CN1CCCCC1 ZINC000125606030 473432277 /nfs/dbraw/zinc/43/22/77/473432277.db2.gz ZFYXBQMCFYSTCH-KBPBESRZSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H](CN[C@@H](C)Cn1cc(Br)cn1)C[NH+]1CCCCC1 ZINC000125606030 473432282 /nfs/dbraw/zinc/43/22/82/473432282.db2.gz ZFYXBQMCFYSTCH-KBPBESRZSA-N 1 3 343.313 2.746 20 0 EFADHO CC(C)C[NH+]1CCC(N[C@H](C)Cn2cc(Br)cn2)CC1 ZINC000177836330 473441879 /nfs/dbraw/zinc/44/18/79/473441879.db2.gz ZIKGNBCVNCQGLT-CYBMUJFWSA-N 1 3 343.313 2.744 20 0 EFADHO C[C@@H](N[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NC(C)(C)C ZINC000163619268 473459847 /nfs/dbraw/zinc/45/98/47/473459847.db2.gz CVOYKZJGLFRGQS-HUUCEWRRSA-N 1 3 335.492 2.581 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@H](C)C1 ZINC000125808244 473459939 /nfs/dbraw/zinc/45/99/39/473459939.db2.gz KHEFDQHRIUSAPE-AABGKKOBSA-N 1 3 339.568 2.833 20 0 EFADHO CC[C@@H](CN[C@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000151655323 473481493 /nfs/dbraw/zinc/48/14/93/473481493.db2.gz LFULBRJTUFRZSG-KGLIPLIRSA-N 1 3 338.883 2.916 20 0 EFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674246 473485502 /nfs/dbraw/zinc/48/55/02/473485502.db2.gz RYZHFPBZUHVSFF-SCTDSRPQSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H](NC[C@H](O)COc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674246 473485507 /nfs/dbraw/zinc/48/55/07/473485507.db2.gz RYZHFPBZUHVSFF-SCTDSRPQSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185674246 473485514 /nfs/dbraw/zinc/48/55/14/473485514.db2.gz RYZHFPBZUHVSFF-SCTDSRPQSA-N 1 3 332.488 2.669 20 0 EFADHO CC1CC[NH+]([C@H](CNC(=O)[C@@H](N)C(C)(C)C)c2ccccc2)CC1 ZINC000164325024 473486525 /nfs/dbraw/zinc/48/65/25/473486525.db2.gz PHKWXQCAIWZXQZ-QZTJIDSGSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000164584955 473493472 /nfs/dbraw/zinc/49/34/72/473493472.db2.gz XWMVDFYADKZIMP-VQIMIIECSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000164584955 473493478 /nfs/dbraw/zinc/49/34/78/473493478.db2.gz XWMVDFYADKZIMP-VQIMIIECSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H](CC(=O)NCCCN1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000165025780 473505355 /nfs/dbraw/zinc/50/53/55/473505355.db2.gz PNFNSRJVVQNLKG-QGZVFWFLSA-N 1 3 343.515 2.577 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000165034840 473505414 /nfs/dbraw/zinc/50/54/14/473505414.db2.gz HDODQJJVWILRST-IEBWSBKVSA-N 1 3 343.515 2.575 20 0 EFADHO O=C1Nc2ccccc2C12CCC([NH2+]CCCN1CCCC1)CC2 ZINC000178414520 473508626 /nfs/dbraw/zinc/50/86/26/473508626.db2.gz UMUZRWUEGBFWHL-UHFFFAOYSA-N 1 3 327.472 2.895 20 0 EFADHO C[C@H](C(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000165700620 473514416 /nfs/dbraw/zinc/51/44/16/473514416.db2.gz FMZKSFNSMQTLNG-WMZOPIPTSA-N 1 3 331.504 2.903 20 0 EFADHO CC(C)[NH2+]CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000165915919 473517277 /nfs/dbraw/zinc/51/72/77/473517277.db2.gz TVORYJKOBFMQCN-UHFFFAOYSA-N 1 3 327.856 2.607 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000165939392 473518582 /nfs/dbraw/zinc/51/85/82/473518582.db2.gz GCRHZRYSUABCLV-SJLPKXTDSA-N 1 3 336.476 2.855 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000165992265 473520622 /nfs/dbraw/zinc/52/06/22/473520622.db2.gz OUXIIPSIGYOLPI-HOJAQTOUSA-N 1 3 333.520 2.626 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000126527944 473523655 /nfs/dbraw/zinc/52/36/55/473523655.db2.gz FLBJQLQJAHWDOY-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000126527944 473523658 /nfs/dbraw/zinc/52/36/58/473523658.db2.gz FLBJQLQJAHWDOY-QUCCMNQESA-N 1 3 341.499 2.837 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166325592 473523776 /nfs/dbraw/zinc/52/37/76/473523776.db2.gz QLUWHJOAYCCMAD-FHWLQOOXSA-N 1 3 329.488 2.766 20 0 EFADHO N[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000152172024 473531547 /nfs/dbraw/zinc/53/15/47/473531547.db2.gz LOXWCAKSAFDSRH-PMACEKPBSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000152172024 473531551 /nfs/dbraw/zinc/53/15/51/473531551.db2.gz LOXWCAKSAFDSRH-PMACEKPBSA-N 1 3 337.467 2.715 20 0 EFADHO Cc1ccc(NC(=O)CC[NH2+]C2CCN(C3CCCC3)CC2)nc1 ZINC000167251329 473533647 /nfs/dbraw/zinc/53/36/47/473533647.db2.gz AAAZIZPIFNVUTM-UHFFFAOYSA-N 1 3 330.476 2.715 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667835 473535298 /nfs/dbraw/zinc/53/52/98/473535298.db2.gz NGCQPPFYTKBHHB-XYJFISCASA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667835 473535304 /nfs/dbraw/zinc/53/53/04/473535304.db2.gz NGCQPPFYTKBHHB-XYJFISCASA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667835 473535306 /nfs/dbraw/zinc/53/53/06/473535306.db2.gz NGCQPPFYTKBHHB-XYJFISCASA-N 1 3 348.510 2.711 20 0 EFADHO CCn1cc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000126710611 473539190 /nfs/dbraw/zinc/53/91/90/473539190.db2.gz BSUJLKBCDZPSGO-KRWDZBQOSA-N 1 3 341.503 2.501 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000126737280 473540645 /nfs/dbraw/zinc/54/06/45/473540645.db2.gz OBFXOGVLAXFGOH-LJQANCHMSA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168516495 473542752 /nfs/dbraw/zinc/54/27/52/473542752.db2.gz WZVWXJZCHDALDS-WDSOQIARSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168516495 473542755 /nfs/dbraw/zinc/54/27/55/473542755.db2.gz WZVWXJZCHDALDS-WDSOQIARSA-N 1 3 331.504 2.871 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000168631594 473542801 /nfs/dbraw/zinc/54/28/01/473542801.db2.gz SCYZUKAUVMILIY-WDEREUQCSA-N 1 3 330.259 2.991 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000168663919 473544637 /nfs/dbraw/zinc/54/46/37/473544637.db2.gz OAAOIJCVBHKVIY-WDEREUQCSA-N 1 3 330.259 2.991 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178713708 473546242 /nfs/dbraw/zinc/54/62/42/473546242.db2.gz HDKBOJUBRFZASO-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463891 473566412 /nfs/dbraw/zinc/56/64/12/473566412.db2.gz QPRAOVYDMZSDRZ-CVEARBPZSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463891 473566418 /nfs/dbraw/zinc/56/64/18/473566418.db2.gz QPRAOVYDMZSDRZ-CVEARBPZSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@H](N)C(=O)NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000178843071 473575232 /nfs/dbraw/zinc/57/52/32/473575232.db2.gz OLRJYVJGCGSCAL-QGZVFWFLSA-N 1 3 325.456 2.542 20 0 EFADHO C[C@@H](NCC[S@](=O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000127202691 473586691 /nfs/dbraw/zinc/58/66/91/473586691.db2.gz BHOFEKRDWDVKNU-IQMFZBJNSA-N 1 3 340.533 2.825 20 0 EFADHO C[NH+](C)CCC1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000115738761 473598778 /nfs/dbraw/zinc/59/87/78/473598778.db2.gz UPBJGPBONBMNLC-LJQANCHMSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000152908848 473599691 /nfs/dbraw/zinc/59/96/91/473599691.db2.gz WPWGOAWNYAFSOH-AWEZNQCLSA-N 1 3 340.899 2.536 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000170764249 473606841 /nfs/dbraw/zinc/60/68/41/473606841.db2.gz GSGPIWJKIGYKBP-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000170764249 473606846 /nfs/dbraw/zinc/60/68/46/473606846.db2.gz GSGPIWJKIGYKBP-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049908 473615230 /nfs/dbraw/zinc/61/52/30/473615230.db2.gz NKSMJROAWQKVJM-OALUTQOASA-N 1 3 342.483 2.926 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192049908 473615235 /nfs/dbraw/zinc/61/52/35/473615235.db2.gz NKSMJROAWQKVJM-OALUTQOASA-N 1 3 342.483 2.926 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000116215512 473638451 /nfs/dbraw/zinc/63/84/51/473638451.db2.gz KVODHIKJIFOCAB-APWZRJJASA-N 1 3 331.504 2.914 20 0 EFADHO CN(C[C@@H]1CC[N@H+](CCCN2CCCC2)C1)C(=O)OC(C)(C)C ZINC000179185546 473648379 /nfs/dbraw/zinc/64/83/79/473648379.db2.gz WGDXKBCQABYULV-INIZCTEOSA-N 1 3 325.497 2.661 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](CCCN2CCCC2)C1)C(=O)OC(C)(C)C ZINC000179185546 473648384 /nfs/dbraw/zinc/64/83/84/473648384.db2.gz WGDXKBCQABYULV-INIZCTEOSA-N 1 3 325.497 2.661 20 0 EFADHO CN(C[C@H]1CC[N@H+](CCCN2CCCC2)C1)C(=O)OC(C)(C)C ZINC000179185553 473648887 /nfs/dbraw/zinc/64/88/87/473648887.db2.gz WGDXKBCQABYULV-MRXNPFEDSA-N 1 3 325.497 2.661 20 0 EFADHO CN(C[C@H]1CC[N@@H+](CCCN2CCCC2)C1)C(=O)OC(C)(C)C ZINC000179185553 473648892 /nfs/dbraw/zinc/64/88/92/473648892.db2.gz WGDXKBCQABYULV-MRXNPFEDSA-N 1 3 325.497 2.661 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000127895608 473661718 /nfs/dbraw/zinc/66/17/18/473661718.db2.gz FDPBBTJHSFJEKO-YJBOKZPZSA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)c1 ZINC000127895608 473661723 /nfs/dbraw/zinc/66/17/23/473661723.db2.gz FDPBBTJHSFJEKO-YJBOKZPZSA-N 1 3 344.503 2.563 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172623849 473661801 /nfs/dbraw/zinc/66/18/01/473661801.db2.gz NGJGHHXPIXWKDJ-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172623849 473661806 /nfs/dbraw/zinc/66/18/06/473661806.db2.gz NGJGHHXPIXWKDJ-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000128006449 473671130 /nfs/dbraw/zinc/67/11/30/473671130.db2.gz AUAVGSZBBGIIDR-NEPJUHHUSA-N 1 3 329.897 2.640 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(C[NH3+])cc1 ZINC000186470850 473678507 /nfs/dbraw/zinc/67/85/07/473678507.db2.gz RGZFXKNBZKVPJB-UHFFFAOYSA-N 1 3 347.409 2.628 20 0 EFADHO C[C@H]1COCC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000192483414 473685090 /nfs/dbraw/zinc/68/50/90/473685090.db2.gz IAPCJPTXBOYGAD-PZJWPPBQSA-N 1 3 345.531 2.599 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281380773 473700790 /nfs/dbraw/zinc/70/07/90/473700790.db2.gz XIRUZLJKKIIHSR-IBGZPJMESA-N 1 3 334.483 2.679 20 0 EFADHO CN(C)CCN(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000269123165 473701908 /nfs/dbraw/zinc/70/19/08/473701908.db2.gz JWKYVSTVQZXINS-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cc[nH]c21 ZINC000172965810 473716247 /nfs/dbraw/zinc/71/62/47/473716247.db2.gz JFJXGVJWCFBPED-KRWDZBQOSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cccc2cc[nH]c21 ZINC000172965810 473716253 /nfs/dbraw/zinc/71/62/53/473716253.db2.gz JFJXGVJWCFBPED-KRWDZBQOSA-N 1 3 342.487 2.656 20 0 EFADHO [NH3+]C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000269177390 473719700 /nfs/dbraw/zinc/71/97/00/473719700.db2.gz CFBHAWIDHKWXSC-FQEVSTJZSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245605280 473725946 /nfs/dbraw/zinc/72/59/46/473725946.db2.gz QTFUBVCVDFHUNT-RRCSTGOVSA-N 1 3 325.497 2.608 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245605280 473725955 /nfs/dbraw/zinc/72/59/55/473725955.db2.gz QTFUBVCVDFHUNT-RRCSTGOVSA-N 1 3 325.497 2.608 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000245610381 473727349 /nfs/dbraw/zinc/72/73/49/473727349.db2.gz SKOZZYLTPHAILV-CWRNSKLLSA-N 1 3 325.497 2.610 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000245610381 473727355 /nfs/dbraw/zinc/72/73/55/473727355.db2.gz SKOZZYLTPHAILV-CWRNSKLLSA-N 1 3 325.497 2.610 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269195292 473727710 /nfs/dbraw/zinc/72/77/10/473727710.db2.gz PCZZYVURJNKYJW-OALUTQOASA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269224794 473737261 /nfs/dbraw/zinc/73/72/61/473737261.db2.gz COUFRMVUCNLESZ-ZIFCJYIRSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269224794 473737270 /nfs/dbraw/zinc/73/72/70/473737270.db2.gz COUFRMVUCNLESZ-ZIFCJYIRSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269235978 473743223 /nfs/dbraw/zinc/74/32/23/473743223.db2.gz MOCZMUHXDRHUDC-VQIMIIECSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CNC[C@H]2CCCO2)cc1 ZINC000269235978 473743227 /nfs/dbraw/zinc/74/32/27/473743227.db2.gz MOCZMUHXDRHUDC-VQIMIIECSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269238220 473744987 /nfs/dbraw/zinc/74/49/87/473744987.db2.gz OJVCMCJBRMYSQE-QFBILLFUSA-N 1 3 345.487 2.626 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269238220 473744993 /nfs/dbraw/zinc/74/49/93/473744993.db2.gz OJVCMCJBRMYSQE-QFBILLFUSA-N 1 3 345.487 2.626 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269238296 473745027 /nfs/dbraw/zinc/74/50/27/473745027.db2.gz PLHHTIODDPDCQJ-INIZCTEOSA-N 1 3 342.487 2.594 20 0 EFADHO O=C(CNC[C@H]1CCCO1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000269242311 473745726 /nfs/dbraw/zinc/74/57/26/473745726.db2.gz JXSXNFDGUSWEMK-LJQANCHMSA-N 1 3 345.487 2.770 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000263282058 473747364 /nfs/dbraw/zinc/74/73/64/473747364.db2.gz SEQZSZXYAVNNMZ-OREBXVKISA-N 1 3 331.504 2.805 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[C@H](N)c1ccccc1 ZINC000263282058 473747369 /nfs/dbraw/zinc/74/73/69/473747369.db2.gz SEQZSZXYAVNNMZ-OREBXVKISA-N 1 3 331.504 2.805 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C3([NH3+])CCCCC3)c(C)c2)CC1 ZINC000269250926 473750574 /nfs/dbraw/zinc/75/05/74/473750574.db2.gz HEAKUCHGYUNLIN-UHFFFAOYSA-N 1 3 344.503 2.737 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245960845 473766879 /nfs/dbraw/zinc/76/68/79/473766879.db2.gz SGDBHUDHHGUZNR-RDJZCZTQSA-N 1 3 344.421 2.882 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245960845 473766883 /nfs/dbraw/zinc/76/68/83/473766883.db2.gz SGDBHUDHHGUZNR-RDJZCZTQSA-N 1 3 344.421 2.882 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000193433340 473786598 /nfs/dbraw/zinc/78/65/98/473786598.db2.gz UKKLSOWIDMKSNG-MRXNPFEDSA-N 1 3 340.895 2.743 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608666568 480065580 /nfs/dbraw/zinc/06/55/80/480065580.db2.gz PBISKARDYCMXBO-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608666568 480065583 /nfs/dbraw/zinc/06/55/83/480065583.db2.gz PBISKARDYCMXBO-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000274412717 473813467 /nfs/dbraw/zinc/81/34/67/473813467.db2.gz JKUSRUCYCVJRAY-BZUAXINKSA-N 1 3 343.471 2.524 20 0 EFADHO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170258 473817612 /nfs/dbraw/zinc/81/76/12/473817612.db2.gz CUDSQEJIVOTKIE-JBINPLMMSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170258 473817617 /nfs/dbraw/zinc/81/76/17/473817617.db2.gz CUDSQEJIVOTKIE-JBINPLMMSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170258 473817624 /nfs/dbraw/zinc/81/76/24/473817624.db2.gz CUDSQEJIVOTKIE-JBINPLMMSA-N 1 3 344.499 2.681 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OC ZINC000173427855 473835009 /nfs/dbraw/zinc/83/50/09/473835009.db2.gz XMGWCTDOUQYDQE-JKSUJKDBSA-N 1 3 348.487 2.855 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000246342320 473835697 /nfs/dbraw/zinc/83/56/97/473835697.db2.gz OWNVMOWFUKUFJM-SJLPKXTDSA-N 1 3 346.519 2.899 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000263760312 473837385 /nfs/dbraw/zinc/83/73/85/473837385.db2.gz XZADOZHISGHQAA-UHFFFAOYSA-N 1 3 347.459 2.549 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000269619404 473844904 /nfs/dbraw/zinc/84/49/04/473844904.db2.gz CQKYARFXYCTAAH-IBGZPJMESA-N 1 3 345.487 2.973 20 0 EFADHO CC1(C(=O)NCCN2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000187298677 473854251 /nfs/dbraw/zinc/85/42/51/473854251.db2.gz VKNWVCCVUMBHOE-UHFFFAOYSA-N 1 3 329.488 2.501 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246419593 473858575 /nfs/dbraw/zinc/85/85/75/473858575.db2.gz BUHKJBNYOFOUMD-MISYRCLQSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246419593 473858583 /nfs/dbraw/zinc/85/85/83/473858583.db2.gz BUHKJBNYOFOUMD-MISYRCLQSA-N 1 3 334.504 2.757 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269687872 473861902 /nfs/dbraw/zinc/86/19/02/473861902.db2.gz VWIPEGFKCQJIBX-DAYGRLMNSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269687872 473861912 /nfs/dbraw/zinc/86/19/12/473861912.db2.gz VWIPEGFKCQJIBX-DAYGRLMNSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269687878 473862298 /nfs/dbraw/zinc/86/22/98/473862298.db2.gz VWIPEGFKCQJIBX-RKVPGOIHSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269687878 473862307 /nfs/dbraw/zinc/86/23/07/473862307.db2.gz VWIPEGFKCQJIBX-RKVPGOIHSA-N 1 3 333.476 2.719 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194230048 473863930 /nfs/dbraw/zinc/86/39/30/473863930.db2.gz RSGJJRXPIATZKU-NRFANRHFSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000180404669 473869214 /nfs/dbraw/zinc/86/92/14/473869214.db2.gz BNPGIWCOCZIMRJ-CYBMUJFWSA-N 1 3 338.883 2.915 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608680429 480067559 /nfs/dbraw/zinc/06/75/59/480067559.db2.gz BBUKQJGXFFVPLR-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000608680429 480067566 /nfs/dbraw/zinc/06/75/66/480067566.db2.gz BBUKQJGXFFVPLR-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccc1C ZINC000194374846 473888046 /nfs/dbraw/zinc/88/80/46/473888046.db2.gz GXRPFZZKUAVTOA-RTBURBONSA-N 1 3 332.488 2.861 20 0 EFADHO C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288256197 473890690 /nfs/dbraw/zinc/89/06/90/473890690.db2.gz UPSLHZHTOWPDSN-VQIMIIECSA-N 1 3 346.519 2.661 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000173616915 473892391 /nfs/dbraw/zinc/89/23/91/473892391.db2.gz JQPZCDOTNUVIAY-AWEZNQCLSA-N 1 3 337.895 2.807 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000288288965 473898852 /nfs/dbraw/zinc/89/88/52/473898852.db2.gz WEDITGVZKJNUIL-LPHOPBHVSA-N 1 3 346.519 2.850 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000246577415 473907000 /nfs/dbraw/zinc/90/70/00/473907000.db2.gz ZQHHUSLXYNJMOC-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2CCCC[C@H]2CC)C1 ZINC000246577415 473907006 /nfs/dbraw/zinc/90/70/06/473907006.db2.gz ZQHHUSLXYNJMOC-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173693443 473913568 /nfs/dbraw/zinc/91/35/68/473913568.db2.gz QSIIESOIADNXII-CALCHBBNSA-N 1 3 329.488 2.771 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)c1ccccc1 ZINC000194563449 473917923 /nfs/dbraw/zinc/91/79/23/473917923.db2.gz SVFPRBVLSRMSNL-QGZVFWFLSA-N 1 3 339.483 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000288415219 473936249 /nfs/dbraw/zinc/93/62/49/473936249.db2.gz NOAQZXIBDAYMHO-FPOVZHCZSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000288415219 473936253 /nfs/dbraw/zinc/93/62/53/473936253.db2.gz NOAQZXIBDAYMHO-FPOVZHCZSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000194742888 473946855 /nfs/dbraw/zinc/94/68/55/473946855.db2.gz LNELKFIVACVERV-QFBILLFUSA-N 1 3 341.499 2.640 20 0 EFADHO COC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000187948735 473946979 /nfs/dbraw/zinc/94/69/79/473946979.db2.gz YGIHQUVISPUNFV-FPOVZHCZSA-N 1 3 346.515 2.582 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCCO2 ZINC000282159800 473966011 /nfs/dbraw/zinc/96/60/11/473966011.db2.gz DIAKSXHLXSMJLQ-SFHVURJKSA-N 1 3 347.503 2.525 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](O)CN1CCCC1 ZINC000288543684 473975877 /nfs/dbraw/zinc/97/58/77/473975877.db2.gz AMEUYSCDRKAKKU-BEFAXECRSA-N 1 3 327.472 2.900 20 0 EFADHO Cc1csc(=O)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274842195 473983190 /nfs/dbraw/zinc/98/31/90/473983190.db2.gz OQVCGFJGEQMHHV-QAPCUYQASA-N 1 3 345.512 2.718 20 0 EFADHO Cc1csc(=O)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274842195 473983194 /nfs/dbraw/zinc/98/31/94/473983194.db2.gz OQVCGFJGEQMHHV-QAPCUYQASA-N 1 3 345.512 2.718 20 0 EFADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274842192 473984242 /nfs/dbraw/zinc/98/42/42/473984242.db2.gz OQVCGFJGEQMHHV-MAUKXSAKSA-N 1 3 345.512 2.718 20 0 EFADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274842192 473984249 /nfs/dbraw/zinc/98/42/49/473984249.db2.gz OQVCGFJGEQMHHV-MAUKXSAKSA-N 1 3 345.512 2.718 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1(C)C ZINC000282216236 473984535 /nfs/dbraw/zinc/98/45/35/473984535.db2.gz DQJUKWRBUZXFLB-UHFFFAOYSA-N 1 3 331.504 2.516 20 0 EFADHO CCc1cccc(OCCN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180934865 473989513 /nfs/dbraw/zinc/98/95/13/473989513.db2.gz MOATVHRLWIFPTC-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246879165 473990497 /nfs/dbraw/zinc/99/04/97/473990497.db2.gz DWYCKYSUXWSDNK-FUHWJXTLSA-N 1 3 330.476 2.696 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246879165 473990507 /nfs/dbraw/zinc/99/05/07/473990507.db2.gz DWYCKYSUXWSDNK-FUHWJXTLSA-N 1 3 330.476 2.696 20 0 EFADHO COc1ccc(CC[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282284764 474007431 /nfs/dbraw/zinc/00/74/31/474007431.db2.gz LFHCBAMALQATIR-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274917727 474012812 /nfs/dbraw/zinc/01/28/12/474012812.db2.gz OPQJKTJZJCJQAG-JENIJYKNSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917727 474012819 /nfs/dbraw/zinc/01/28/19/474012819.db2.gz OPQJKTJZJCJQAG-JENIJYKNSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917727 474012827 /nfs/dbraw/zinc/01/28/27/474012827.db2.gz OPQJKTJZJCJQAG-JENIJYKNSA-N 1 3 331.504 2.791 20 0 EFADHO CNCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000195146469 474015989 /nfs/dbraw/zinc/01/59/89/474015989.db2.gz XVHSHPBJBVKZPI-UHFFFAOYSA-N 1 3 337.467 2.785 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274928856 474015974 /nfs/dbraw/zinc/01/59/74/474015974.db2.gz QNPKHFWWTPAHTQ-QXAKKESOSA-N 1 3 343.515 2.886 20 0 EFADHO CN(CCC(=O)NC1CCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174402561 474036214 /nfs/dbraw/zinc/03/62/14/474036214.db2.gz NQZDDHHTBGQITC-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCC(=O)NC1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402561 474036221 /nfs/dbraw/zinc/03/62/21/474036221.db2.gz NQZDDHHTBGQITC-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247073039 474056596 /nfs/dbraw/zinc/05/65/96/474056596.db2.gz QHSVSBARIKNZTJ-TYPHKJRUSA-N 1 3 329.532 2.871 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174536120 474058114 /nfs/dbraw/zinc/05/81/14/474058114.db2.gz XRIBWSBILRTHJS-FHWLQOOXSA-N 1 3 332.488 2.920 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1(C)C ZINC000282445753 474068589 /nfs/dbraw/zinc/06/85/89/474068589.db2.gz SEHONDQAMIKHGL-UHFFFAOYSA-N 1 3 347.400 2.960 20 0 EFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282450694 474069909 /nfs/dbraw/zinc/06/99/09/474069909.db2.gz VALCLWDTKRUJDV-IRXDYDNUSA-N 1 3 333.520 2.803 20 0 EFADHO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282450656 474070737 /nfs/dbraw/zinc/07/07/37/474070737.db2.gz VALCLWDTKRUJDV-DLBZAZTESA-N 1 3 333.520 2.803 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282475616 474078674 /nfs/dbraw/zinc/07/86/74/474078674.db2.gz PSZDAYQOEYZRNA-GOSISDBHSA-N 1 3 330.476 2.757 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000247222129 474092777 /nfs/dbraw/zinc/09/27/77/474092777.db2.gz XRTIRLMSBOFBAV-GPMSIDNRSA-N 1 3 331.504 2.987 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000174787637 474097346 /nfs/dbraw/zinc/09/73/46/474097346.db2.gz CPXIFKHRMCDIFP-IEBWSBKVSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000174787637 474097352 /nfs/dbraw/zinc/09/73/52/474097352.db2.gz CPXIFKHRMCDIFP-IEBWSBKVSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525093 474097878 /nfs/dbraw/zinc/09/78/78/474097878.db2.gz UXZAXWQORZZIEM-JOCBIADPSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525093 474097883 /nfs/dbraw/zinc/09/78/83/474097883.db2.gz UXZAXWQORZZIEM-JOCBIADPSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000247253091 474101832 /nfs/dbraw/zinc/10/18/32/474101832.db2.gz ZUESDMGBMQQHAO-JHJVBQTASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000247253091 474101838 /nfs/dbraw/zinc/10/18/38/474101838.db2.gz ZUESDMGBMQQHAO-JHJVBQTASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637587 474102550 /nfs/dbraw/zinc/10/25/50/474102550.db2.gz CYDSHAMDBZSASE-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195637587 474102556 /nfs/dbraw/zinc/10/25/56/474102556.db2.gz CYDSHAMDBZSASE-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000264753414 474115916 /nfs/dbraw/zinc/11/59/16/474115916.db2.gz XEFQQNULHXILTE-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000264753414 474115923 /nfs/dbraw/zinc/11/59/23/474115923.db2.gz XEFQQNULHXILTE-LJQANCHMSA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000264753411 474116210 /nfs/dbraw/zinc/11/62/10/474116210.db2.gz XEFQQNULHXILTE-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000264753411 474116215 /nfs/dbraw/zinc/11/62/15/474116215.db2.gz XEFQQNULHXILTE-IBGZPJMESA-N 1 3 334.504 2.849 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000182237360 474130611 /nfs/dbraw/zinc/13/06/11/474130611.db2.gz GWWRKAUBQFFPJE-OXQOHEQNSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000182237360 474130618 /nfs/dbraw/zinc/13/06/18/474130618.db2.gz GWWRKAUBQFFPJE-OXQOHEQNSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000182243058 474132249 /nfs/dbraw/zinc/13/22/49/474132249.db2.gz IJYULEHUAWGPIE-UXHICEINSA-N 1 3 342.487 2.618 20 0 EFADHO CC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000182243058 474132256 /nfs/dbraw/zinc/13/22/56/474132256.db2.gz IJYULEHUAWGPIE-UXHICEINSA-N 1 3 342.487 2.618 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264815815 474137189 /nfs/dbraw/zinc/13/71/89/474137189.db2.gz WJBRVXIKZYUJFM-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C(C)(C)O1 ZINC000182265174 474138336 /nfs/dbraw/zinc/13/83/36/474138336.db2.gz NTOSCGSADWHNEE-ZWKOTPCHSA-N 1 3 332.488 2.689 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182271563 474138482 /nfs/dbraw/zinc/13/84/82/474138482.db2.gz RRYJGGVLIRGCBG-OTWHNJEPSA-N 1 3 332.488 2.546 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000217953150 474143484 /nfs/dbraw/zinc/14/34/84/474143484.db2.gz MDTSEWPQNMLIOC-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO CCC(CC)(CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@@H](C)c1ccccc1 ZINC000188770201 474189562 /nfs/dbraw/zinc/18/95/62/474189562.db2.gz NWFCRLBUTJBFBC-BHYGNILZSA-N 1 3 335.467 2.712 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]CC3(SC)CC3)cc2)CC1 ZINC000289275916 474206413 /nfs/dbraw/zinc/20/64/13/474206413.db2.gz OBPZDIDSRDOIHL-UHFFFAOYSA-N 1 3 333.545 2.809 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]CC2(SC)CC2)CC1 ZINC000289302220 474216911 /nfs/dbraw/zinc/21/69/11/474216911.db2.gz RCPJMHHSTDCURI-UHFFFAOYSA-N 1 3 333.545 2.809 20 0 EFADHO CC(C)Oc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000265446336 474217606 /nfs/dbraw/zinc/21/76/06/474217606.db2.gz RVKJRRGCZLTPTC-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000247889458 474222863 /nfs/dbraw/zinc/22/28/63/474222863.db2.gz DXUOPRJUSDOTSZ-AQNXPRMDSA-N 1 3 346.515 2.768 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)c1C ZINC000247889458 474222867 /nfs/dbraw/zinc/22/28/67/474222867.db2.gz DXUOPRJUSDOTSZ-AQNXPRMDSA-N 1 3 346.515 2.768 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(OC)c1 ZINC000247960714 474233576 /nfs/dbraw/zinc/23/35/76/474233576.db2.gz GFNCJDHMTANKDP-JJRVBVJISA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000247960714 474233582 /nfs/dbraw/zinc/23/35/82/474233582.db2.gz GFNCJDHMTANKDP-JJRVBVJISA-N 1 3 336.476 2.573 20 0 EFADHO C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182709046 474237525 /nfs/dbraw/zinc/23/75/25/474237525.db2.gz ZSWJDFORNMQZOL-NXOAAHMSSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182709046 474237532 /nfs/dbraw/zinc/23/75/32/474237532.db2.gz ZSWJDFORNMQZOL-NXOAAHMSSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCCCC1 ZINC000247975907 474238077 /nfs/dbraw/zinc/23/80/77/474238077.db2.gz KVQRDUNIWFPRJX-AZUAARDMSA-N 1 3 330.520 2.758 20 0 EFADHO CCN1CC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226365768 474241882 /nfs/dbraw/zinc/24/18/82/474241882.db2.gz QAMQDEAOZLJYFT-INIZCTEOSA-N 1 3 325.497 2.565 20 0 EFADHO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cccc(OCCN(C)C)c1 ZINC000248005514 474244397 /nfs/dbraw/zinc/24/43/97/474244397.db2.gz KVBWEYIUTCUTDL-IWMITWMQSA-N 1 3 340.467 2.936 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CCC1 ZINC000275590397 474245038 /nfs/dbraw/zinc/24/50/38/474245038.db2.gz JJSIARKUAFCKKY-SFHVURJKSA-N 1 3 344.503 2.607 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000275592470 474245537 /nfs/dbraw/zinc/24/55/37/474245537.db2.gz FSHWPJIIGIULHB-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000275592470 474245545 /nfs/dbraw/zinc/24/55/45/474245545.db2.gz FSHWPJIIGIULHB-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NCc1ccccc1Cl ZINC000175593779 474258884 /nfs/dbraw/zinc/25/88/84/474258884.db2.gz KAHPKTDQQJQMBX-SJORKVTESA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)NCc1ccccc1Cl ZINC000175593779 474258892 /nfs/dbraw/zinc/25/88/92/474258892.db2.gz KAHPKTDQQJQMBX-SJORKVTESA-N 1 3 349.906 2.905 20 0 EFADHO Cc1nccn1CCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000289422295 474264145 /nfs/dbraw/zinc/26/41/45/474264145.db2.gz UTNNEROVZMVOGT-UHFFFAOYSA-N 1 3 335.455 2.952 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000283030946 474277347 /nfs/dbraw/zinc/27/73/47/474277347.db2.gz HQLMOHBZMCGALX-RBUKOAKNSA-N 1 3 341.499 2.566 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000283030946 474277355 /nfs/dbraw/zinc/27/73/55/474277355.db2.gz HQLMOHBZMCGALX-RBUKOAKNSA-N 1 3 341.499 2.566 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000236650521 474277460 /nfs/dbraw/zinc/27/74/60/474277460.db2.gz MJEIMCUNDJAEPM-SFHVURJKSA-N 1 3 329.488 2.847 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000283030948 474278168 /nfs/dbraw/zinc/27/81/68/474278168.db2.gz HQLMOHBZMCGALX-RTBURBONSA-N 1 3 341.499 2.566 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000283030948 474278178 /nfs/dbraw/zinc/27/81/78/474278178.db2.gz HQLMOHBZMCGALX-RTBURBONSA-N 1 3 341.499 2.566 20 0 EFADHO CC1(C)CC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC(C)(C)[NH2+]1 ZINC000289468923 474284330 /nfs/dbraw/zinc/28/43/30/474284330.db2.gz YWVWASVECWAATF-HOTGVXAUSA-N 1 3 344.455 2.716 20 0 EFADHO COC[C@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCCC1 ZINC000275696688 474285956 /nfs/dbraw/zinc/28/59/56/474285956.db2.gz JZSFJYQAGAPQJN-UXHICEINSA-N 1 3 332.488 2.548 20 0 EFADHO CC[NH+]1CCC(N[C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000275701996 474287738 /nfs/dbraw/zinc/28/77/38/474287738.db2.gz LSPGHXPSLLULTG-IBGZPJMESA-N 1 3 327.476 2.792 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H]2C)CC1 ZINC000248347808 474293996 /nfs/dbraw/zinc/29/39/96/474293996.db2.gz NVCWDZPMMBOUDT-SJLPKXTDSA-N 1 3 343.515 2.806 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(C)C ZINC000236895557 474297588 /nfs/dbraw/zinc/29/75/88/474297588.db2.gz KZLPPKCQXANAKZ-MOPGFXCFSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(C)C ZINC000236895557 474297592 /nfs/dbraw/zinc/29/75/92/474297592.db2.gz KZLPPKCQXANAKZ-MOPGFXCFSA-N 1 3 331.504 2.730 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)CNC3CC3)ccc21 ZINC000236898867 474298647 /nfs/dbraw/zinc/29/86/47/474298647.db2.gz ZJUDCNXMJUPBBT-UHFFFAOYSA-N 1 3 328.460 2.674 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265693468 474298738 /nfs/dbraw/zinc/29/87/38/474298738.db2.gz ZHBYEFUXIQPHMM-VDZSZVPASA-N 1 3 329.488 2.653 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265693468 474298748 /nfs/dbraw/zinc/29/87/48/474298748.db2.gz ZHBYEFUXIQPHMM-VDZSZVPASA-N 1 3 329.488 2.653 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000248393824 474303669 /nfs/dbraw/zinc/30/36/69/474303669.db2.gz HECWXMDCEYDJGG-QXAKKESOSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000248393824 474303673 /nfs/dbraw/zinc/30/36/73/474303673.db2.gz HECWXMDCEYDJGG-QXAKKESOSA-N 1 3 329.488 2.670 20 0 EFADHO OCCCSCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248394860 474305286 /nfs/dbraw/zinc/30/52/86/474305286.db2.gz FYFHRULVMZHNPO-HSALFYBXSA-N 1 3 348.556 2.992 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409004 474312498 /nfs/dbraw/zinc/31/24/98/474312498.db2.gz WCJJWZQSWDOESX-FAJBIJEISA-N 1 3 348.535 2.518 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409004 474312507 /nfs/dbraw/zinc/31/25/07/474312507.db2.gz WCJJWZQSWDOESX-FAJBIJEISA-N 1 3 348.535 2.518 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H](N)Cc2ccccc2)[NH+](C)C)cc1 ZINC000236980783 474315737 /nfs/dbraw/zinc/31/57/37/474315737.db2.gz AFGDLVUFEAMDCK-UXHICEINSA-N 1 3 339.483 2.538 20 0 EFADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@@H+]1C ZINC000183079135 474322189 /nfs/dbraw/zinc/32/21/89/474322189.db2.gz GVCXUMFYFRCAPK-OXQOHEQNSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@@H]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@H+]1C ZINC000183079135 474322196 /nfs/dbraw/zinc/32/21/96/474322196.db2.gz GVCXUMFYFRCAPK-OXQOHEQNSA-N 1 3 331.504 2.786 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237053166 474328390 /nfs/dbraw/zinc/32/83/90/474328390.db2.gz KBIZGEZOAWOTNB-WMZOPIPTSA-N 1 3 331.504 2.746 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237053166 474328396 /nfs/dbraw/zinc/32/83/96/474328396.db2.gz KBIZGEZOAWOTNB-WMZOPIPTSA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)C(=O)NCCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125801 474332736 /nfs/dbraw/zinc/33/27/36/474332736.db2.gz ZMEQYRVXWDDRDC-AABGKKOBSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125801 474332742 /nfs/dbraw/zinc/33/27/42/474332742.db2.gz ZMEQYRVXWDDRDC-AABGKKOBSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125801 474332745 /nfs/dbraw/zinc/33/27/45/474332745.db2.gz ZMEQYRVXWDDRDC-AABGKKOBSA-N 1 3 343.515 2.649 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000270988404 474354375 /nfs/dbraw/zinc/35/43/75/474354375.db2.gz DRXDPSZVOSRHSK-QZTJIDSGSA-N 1 3 349.544 2.646 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000237190651 474354400 /nfs/dbraw/zinc/35/44/00/474354400.db2.gz ITHPEOGSCLLFSD-VQTJNVASSA-N 1 3 339.483 2.756 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183257283 474361824 /nfs/dbraw/zinc/36/18/24/474361824.db2.gz VABQETJLLJHTDC-HUUCEWRRSA-N 1 3 325.447 2.889 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248568340 474362386 /nfs/dbraw/zinc/36/23/86/474362386.db2.gz PUELQUVDWCUGLE-GJZGRUSLSA-N 1 3 343.393 2.782 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000248568340 474362392 /nfs/dbraw/zinc/36/23/92/474362392.db2.gz PUELQUVDWCUGLE-GJZGRUSLSA-N 1 3 343.393 2.782 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308896 474366099 /nfs/dbraw/zinc/36/60/99/474366099.db2.gz YVCHSEXKPCQSNY-OALUTQOASA-N 1 3 343.515 2.812 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283308896 474366105 /nfs/dbraw/zinc/36/61/05/474366105.db2.gz YVCHSEXKPCQSNY-OALUTQOASA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000265938171 474393686 /nfs/dbraw/zinc/39/36/86/474393686.db2.gz GTGPYGWZPGICRL-APWZRJJASA-N 1 3 329.488 2.695 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289718503 474394216 /nfs/dbraw/zinc/39/42/16/474394216.db2.gz GDEZTKGOEFBXRH-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(C)Cc1ccccc1 ZINC000237389657 474394582 /nfs/dbraw/zinc/39/45/82/474394582.db2.gz IMZJXPFWVXQFAA-BPIHKTFHSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237412868 474398932 /nfs/dbraw/zinc/39/89/32/474398932.db2.gz BEVHCXSWCXLFLM-QXAKKESOSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1 ZINC000289729602 474400227 /nfs/dbraw/zinc/40/02/27/474400227.db2.gz HSTYPIVZOBRDFG-UHFFFAOYSA-N 1 3 349.544 2.871 20 0 EFADHO C[C@@H](CC(=O)NCCCN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237423961 474400397 /nfs/dbraw/zinc/40/03/97/474400397.db2.gz KAUSYTBAOXKXSX-KRWDZBQOSA-N 1 3 331.504 2.651 20 0 EFADHO C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000237441552 474404918 /nfs/dbraw/zinc/40/49/18/474404918.db2.gz HAUXDKZCTSIXAZ-KFKAGJAMSA-N 1 3 325.456 2.742 20 0 EFADHO C[C@H](C(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000237444656 474405287 /nfs/dbraw/zinc/40/52/87/474405287.db2.gz HAUXDKZCTSIXAZ-ZYSHUDEJSA-N 1 3 325.456 2.742 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)CC1 ZINC000176197260 474406241 /nfs/dbraw/zinc/40/62/41/474406241.db2.gz YFWTXSOKEWDYCQ-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176198349 474406327 /nfs/dbraw/zinc/40/63/27/474406327.db2.gz PZOBOEPWDOVZIQ-KRWDZBQOSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)C1 ZINC000176198349 474406337 /nfs/dbraw/zinc/40/63/37/474406337.db2.gz PZOBOEPWDOVZIQ-KRWDZBQOSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000289751691 474409240 /nfs/dbraw/zinc/40/92/40/474409240.db2.gz HPGYZHGDYYXNPW-CRAIPNDOSA-N 1 3 347.528 2.605 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237473325 474412785 /nfs/dbraw/zinc/41/27/85/474412785.db2.gz COSNCBBAEPQVRA-HZPDHXFCSA-N 1 3 333.476 2.591 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237530533 474424153 /nfs/dbraw/zinc/42/41/53/474424153.db2.gz AJRQVYQYCGKQHX-PXNSSMCTSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237534477 474425315 /nfs/dbraw/zinc/42/53/15/474425315.db2.gz HGNHFPBHYKNQHW-JXFKEZNVSA-N 1 3 337.467 2.928 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H](N)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237560595 474429226 /nfs/dbraw/zinc/42/92/26/474429226.db2.gz NGNQUPILNJRHNB-PXNSSMCTSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237560595 474429234 /nfs/dbraw/zinc/42/92/34/474429234.db2.gz NGNQUPILNJRHNB-PXNSSMCTSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237587513 474434225 /nfs/dbraw/zinc/43/42/25/474434225.db2.gz AJRQVYQYCGKQHX-YLJYHZDGSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000237588638 474434588 /nfs/dbraw/zinc/43/45/88/474434588.db2.gz AXYUJUXLXJBWKS-UXPWSPDFSA-N 1 3 337.467 2.508 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237589277 474435192 /nfs/dbraw/zinc/43/51/92/474435192.db2.gz HOQLTVMFRANLTJ-NXWXRZEISA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@H](C)O1 ZINC000237609848 474439551 /nfs/dbraw/zinc/43/95/51/474439551.db2.gz SNRHRHZRGYKWDZ-HDICACEKSA-N 1 3 342.487 2.851 20 0 EFADHO Cc1nnc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)s1 ZINC000289855483 474457323 /nfs/dbraw/zinc/45/73/23/474457323.db2.gz QSGJXOFEMTVLBT-CYBMUJFWSA-N 1 3 334.489 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000283649174 474458747 /nfs/dbraw/zinc/45/87/47/474458747.db2.gz TWOHIXUXJMMJII-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000283649174 474458755 /nfs/dbraw/zinc/45/87/55/474458755.db2.gz TWOHIXUXJMMJII-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000237696638 474459724 /nfs/dbraw/zinc/45/97/24/474459724.db2.gz OROKYTIKBCPHJR-UHFFFAOYSA-N 1 3 345.487 2.798 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1nccc2ccccc21 ZINC000289873693 474464540 /nfs/dbraw/zinc/46/45/40/474464540.db2.gz SHCUZKKRMGMVNN-MRXNPFEDSA-N 1 3 326.488 2.911 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000266732366 474464614 /nfs/dbraw/zinc/46/46/14/474464614.db2.gz XMHYYECNLMIBCK-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248929263 474486093 /nfs/dbraw/zinc/48/60/93/474486093.db2.gz XPPYVBDDBBUANE-HSALFYBXSA-N 1 3 346.515 2.935 20 0 EFADHO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248941631 474487546 /nfs/dbraw/zinc/48/75/46/474487546.db2.gz CTBUCISXHLBTOB-IIMDRIAPSA-N 1 3 345.531 2.893 20 0 EFADHO CC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283757801 474487864 /nfs/dbraw/zinc/48/78/64/474487864.db2.gz MGBBPWCNAVAFMZ-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283757801 474487868 /nfs/dbraw/zinc/48/78/68/474487868.db2.gz MGBBPWCNAVAFMZ-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO [NH3+][C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237869261 474489728 /nfs/dbraw/zinc/48/97/28/474489728.db2.gz ZTXFPNOGKWIKGV-WOJBJXKFSA-N 1 3 337.467 2.857 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2([NH3+])CCCCC2)N2CCCC2)cc1 ZINC000237876640 474491878 /nfs/dbraw/zinc/49/18/78/474491878.db2.gz ODPBZDSHMDMJRB-GOSISDBHSA-N 1 3 329.488 2.910 20 0 EFADHO CN(C)C1(CN(C)C(=O)NCCCCC[NH+]2CCCCC2)CCC1 ZINC000189852771 474494605 /nfs/dbraw/zinc/49/46/05/474494605.db2.gz YNDLMWHENMNGFJ-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283784837 474495838 /nfs/dbraw/zinc/49/58/38/474495838.db2.gz RXZZLPHQFIQJTE-CZUORRHYSA-N 1 3 340.899 2.582 20 0 EFADHO [NH3+]CCCC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000237908289 474501045 /nfs/dbraw/zinc/50/10/45/474501045.db2.gz FWQLZTVZPLTCBN-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237921056 474503950 /nfs/dbraw/zinc/50/39/50/474503950.db2.gz WAEDWSRPPINQOP-YQVWRLOYSA-N 1 3 347.478 2.671 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCO)C1CCN(C)CC1 ZINC000189934075 474511378 /nfs/dbraw/zinc/51/13/78/474511378.db2.gz HLYQEMOGZMLQNU-YLJYHZDGSA-N 1 3 345.531 2.858 20 0 EFADHO CC[C@H](C)NC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189950622 474516006 /nfs/dbraw/zinc/51/60/06/474516006.db2.gz COGZODBKPYXVSU-XKMFVZKXSA-N 1 3 331.504 2.647 20 0 EFADHO [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000238050563 474526588 /nfs/dbraw/zinc/52/65/88/474526588.db2.gz IDHDCZOREWPGBA-IRXDYDNUSA-N 1 3 347.528 2.734 20 0 EFADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000184486023 474526737 /nfs/dbraw/zinc/52/67/37/474526737.db2.gz RWXMYRIZIILVKO-UZLBHIALSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1cncc([C@@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000184486023 474526742 /nfs/dbraw/zinc/52/67/42/474526742.db2.gz RWXMYRIZIILVKO-UZLBHIALSA-N 1 3 325.456 2.807 20 0 EFADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C12CCC2 ZINC000290018506 474529045 /nfs/dbraw/zinc/52/90/45/474529045.db2.gz CAZWLDHYWGAOMG-MOPGFXCFSA-N 1 3 347.503 2.849 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000249121621 474531863 /nfs/dbraw/zinc/53/18/63/474531863.db2.gz SUYZPLMMYQVVBB-QKLQHJQFSA-N 1 3 338.536 2.749 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000290032592 474533724 /nfs/dbraw/zinc/53/37/24/474533724.db2.gz CZNJBHRRZMVTLW-VQTJNVASSA-N 1 3 343.515 2.710 20 0 EFADHO c1ncn(CCN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000623015031 480110656 /nfs/dbraw/zinc/11/06/56/480110656.db2.gz WQGGVAIGYSWGGM-UHFFFAOYSA-N 1 3 339.487 2.656 20 0 EFADHO CN1CC=C(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000284053017 474560361 /nfs/dbraw/zinc/56/03/61/474560361.db2.gz SMMTVFHOSFZQPN-UHFFFAOYSA-N 1 3 342.224 2.643 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000271445965 474550165 /nfs/dbraw/zinc/55/01/65/474550165.db2.gz CXMCYAQFCLZTAT-VAMGGRTRSA-N 1 3 346.540 2.984 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000284206288 474594790 /nfs/dbraw/zinc/59/47/90/474594790.db2.gz SLMXOVOCMLYPRP-IEBWSBKVSA-N 1 3 341.503 2.556 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CCCC1 ZINC000184743331 474599210 /nfs/dbraw/zinc/59/92/10/474599210.db2.gz WXYJUKDXGYSYFN-QRTHJKPMSA-N 1 3 343.515 2.791 20 0 EFADHO Cc1ccccc1C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000284249509 474603635 /nfs/dbraw/zinc/60/36/35/474603635.db2.gz IKOHDKXZPPGJFV-HXUWFJFHSA-N 1 3 329.532 2.932 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267184895 474611666 /nfs/dbraw/zinc/61/16/66/474611666.db2.gz LCYGOAWZXDVBPE-MJGOQNOKSA-N 1 3 333.520 2.626 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000267244126 474626886 /nfs/dbraw/zinc/62/68/86/474626886.db2.gz NCMSZCKDWIOPRI-GFCCVEGCSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423563 474640063 /nfs/dbraw/zinc/64/00/63/474640063.db2.gz GHWYRHSLXZOFGT-HOTGVXAUSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423563 474640066 /nfs/dbraw/zinc/64/00/66/474640066.db2.gz GHWYRHSLXZOFGT-HOTGVXAUSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000251702770 474643771 /nfs/dbraw/zinc/64/37/71/474643771.db2.gz OFRJTWJIASQEBT-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000251702770 474643775 /nfs/dbraw/zinc/64/37/75/474643775.db2.gz OFRJTWJIASQEBT-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]C[C@H]3CCSC3)CC2)cc1 ZINC000278458559 474649220 /nfs/dbraw/zinc/64/92/20/474649220.db2.gz XKIHTALKBGSWFC-GOSISDBHSA-N 1 3 333.545 2.932 20 0 EFADHO CCN1CCC([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)CC1 ZINC000284482619 474649501 /nfs/dbraw/zinc/64/95/01/474649501.db2.gz CAOIAAZNAHGECU-PMACEKPBSA-N 1 3 331.504 2.522 20 0 EFADHO CCN1CCO[C@@H](CNC2CC[NH+](CC)CC2)[C@@H]1c1ccccc1 ZINC000284482619 474649505 /nfs/dbraw/zinc/64/95/05/474649505.db2.gz CAOIAAZNAHGECU-PMACEKPBSA-N 1 3 331.504 2.522 20 0 EFADHO COc1cc(C[NH2+]C[C@@H](C)CN(C)C)ccc1OCc1ccncc1 ZINC000291715357 474656441 /nfs/dbraw/zinc/65/64/41/474656441.db2.gz LXDIMKRGRGHNKZ-MRXNPFEDSA-N 1 3 343.471 2.957 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)C12CCC[NH+]1CCC2 ZINC000278504451 474667683 /nfs/dbraw/zinc/66/76/83/474667683.db2.gz AUDWQPIAYMPIEM-GOSISDBHSA-N 1 3 327.472 2.568 20 0 EFADHO CC(C)[C@H](O)CC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305051993 474675366 /nfs/dbraw/zinc/67/53/66/474675366.db2.gz CXWWBXQOCQYIGO-HXUWFJFHSA-N 1 3 333.520 2.714 20 0 EFADHO CN(c1ccccc1C[NH2+]CC(C)(C)CCO)C1CCN(C)CC1 ZINC000305058590 474677956 /nfs/dbraw/zinc/67/79/56/474677956.db2.gz FURDSODKEPUUSV-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CCC[C@]1(C)CO)C1CCN(C)CC1 ZINC000305089103 474685582 /nfs/dbraw/zinc/68/55/82/474685582.db2.gz OXJOVUSMYRSXJZ-LEWJYISDSA-N 1 3 345.531 2.858 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000340858864 474724067 /nfs/dbraw/zinc/72/40/67/474724067.db2.gz LJRGPIDRRKCOBX-RBUKOAKNSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000340858864 474724078 /nfs/dbraw/zinc/72/40/78/474724078.db2.gz LJRGPIDRRKCOBX-RBUKOAKNSA-N 1 3 346.519 2.853 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)C12CCCN1CCC2 ZINC000278611838 474736194 /nfs/dbraw/zinc/73/61/94/474736194.db2.gz LWPUXUICUSMRKW-UHFFFAOYSA-N 1 3 327.472 2.527 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000273162349 474751096 /nfs/dbraw/zinc/75/10/96/474751096.db2.gz KTOFXWDUCOORGS-GOSISDBHSA-N 1 3 333.520 2.990 20 0 EFADHO CC[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000344548974 474762141 /nfs/dbraw/zinc/76/21/41/474762141.db2.gz VLUAUBVMIXUDGH-FGTMMUONSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000344548974 474762145 /nfs/dbraw/zinc/76/21/45/474762145.db2.gz VLUAUBVMIXUDGH-FGTMMUONSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000344548975 474763737 /nfs/dbraw/zinc/76/37/37/474763737.db2.gz VLUAUBVMIXUDGH-KSZLIROESA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(CC)CC ZINC000344548975 474763748 /nfs/dbraw/zinc/76/37/48/474763748.db2.gz VLUAUBVMIXUDGH-KSZLIROESA-N 1 3 325.541 2.981 20 0 EFADHO CN1CCC(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000291958906 474773424 /nfs/dbraw/zinc/77/34/24/474773424.db2.gz FNTBMGSLYTZHEU-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000291958906 474773430 /nfs/dbraw/zinc/77/34/30/474773430.db2.gz FNTBMGSLYTZHEU-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000623059997 480125493 /nfs/dbraw/zinc/12/54/93/480125493.db2.gz BMLGUPUCEBRCDQ-KRWDZBQOSA-N 1 3 330.476 2.602 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000338967668 474784429 /nfs/dbraw/zinc/78/44/29/474784429.db2.gz VTQXIAQYUUHXFE-TZIWHRDSSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000338967668 474784439 /nfs/dbraw/zinc/78/44/39/474784439.db2.gz VTQXIAQYUUHXFE-TZIWHRDSSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCCC[C@H]1C ZINC000340931382 474789562 /nfs/dbraw/zinc/78/95/62/474789562.db2.gz BIOKZNVJEVOXPA-KZNAEPCWSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCCC[C@H]1C ZINC000340931382 474789571 /nfs/dbraw/zinc/78/95/71/474789571.db2.gz BIOKZNVJEVOXPA-KZNAEPCWSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778093 474792811 /nfs/dbraw/zinc/79/28/11/474792811.db2.gz QVDUWVJFPWOASM-QFBILLFUSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778093 474792817 /nfs/dbraw/zinc/79/28/17/474792817.db2.gz QVDUWVJFPWOASM-QFBILLFUSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000291996447 474793482 /nfs/dbraw/zinc/79/34/82/474793482.db2.gz BSIUNPWJMRJPHH-NEWSRXKRSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@](O)(C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000309857009 474820644 /nfs/dbraw/zinc/82/06/44/474820644.db2.gz LMOWDKAQMKQXCI-HZPDHXFCSA-N 1 3 330.394 2.802 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC1CCN(Cc2ccccc2)CC1 ZINC000309893615 474821436 /nfs/dbraw/zinc/82/14/36/474821436.db2.gz MYQDEHXCBQVJPT-KRWDZBQOSA-N 1 3 329.488 2.547 20 0 EFADHO CC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000310080626 474823131 /nfs/dbraw/zinc/82/31/31/474823131.db2.gz JAGCZIBSUWSVPP-QUCCMNQESA-N 1 3 329.488 2.547 20 0 EFADHO [NH3+]CCc1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000310427350 474826659 /nfs/dbraw/zinc/82/66/59/474826659.db2.gz QXSPQTYNLUTXJA-UHFFFAOYSA-N 1 3 337.467 2.582 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000340965044 474826977 /nfs/dbraw/zinc/82/69/77/474826977.db2.gz SPEFNMQHDIFOPK-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000273301718 474831939 /nfs/dbraw/zinc/83/19/39/474831939.db2.gz UVQQMJJIZSSVEI-MRXNPFEDSA-N 1 3 331.504 2.934 20 0 EFADHO COc1ccc(CNCC2CC[NH+](C)CC2)c(Br)c1 ZINC000311663007 474841780 /nfs/dbraw/zinc/84/17/80/474841780.db2.gz KFUPLIIFWYZFIT-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976898 474849662 /nfs/dbraw/zinc/84/96/62/474849662.db2.gz XOGYECMJVVKNBF-WJRACZLCSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976898 474849668 /nfs/dbraw/zinc/84/96/68/474849668.db2.gz XOGYECMJVVKNBF-WJRACZLCSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284976898 474849677 /nfs/dbraw/zinc/84/96/77/474849677.db2.gz XOGYECMJVVKNBF-WJRACZLCSA-N 1 3 345.531 2.767 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341007578 474874036 /nfs/dbraw/zinc/87/40/36/474874036.db2.gz ARNLYCAHYYUIIQ-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341007578 474874041 /nfs/dbraw/zinc/87/40/41/474874041.db2.gz ARNLYCAHYYUIIQ-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2CCO[C@@H](C)C2)CC1)CC1CC1 ZINC000337306230 474878761 /nfs/dbraw/zinc/87/87/61/474878761.db2.gz UWIWKKDLWUAVFF-SFHVURJKSA-N 1 3 337.552 2.541 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2CCO[C@@H](C)C2)CC1)CC1CC1 ZINC000337306230 474878768 /nfs/dbraw/zinc/87/87/68/474878768.db2.gz UWIWKKDLWUAVFF-SFHVURJKSA-N 1 3 337.552 2.541 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000292184207 474893381 /nfs/dbraw/zinc/89/33/81/474893381.db2.gz WYBMJRZWGNFARH-MOPGFXCFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000337344436 474917902 /nfs/dbraw/zinc/91/79/02/474917902.db2.gz KJMHEUQHJNBSTD-SJLPKXTDSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC[C@@H](O)COCc1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000320783981 474919355 /nfs/dbraw/zinc/91/93/55/474919355.db2.gz VUKCPOJZIBIMIN-CRAIPNDOSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1)CN1CCCC1 ZINC000320783981 474919363 /nfs/dbraw/zinc/91/93/63/474919363.db2.gz VUKCPOJZIBIMIN-CRAIPNDOSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000337350908 474923781 /nfs/dbraw/zinc/92/37/81/474923781.db2.gz UHSUCIAHWPKLBT-AEFFLSMTSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000337350910 474924219 /nfs/dbraw/zinc/92/42/19/474924219.db2.gz UHSUCIAHWPKLBT-SJLPKXTDSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000341057058 474924563 /nfs/dbraw/zinc/92/45/63/474924563.db2.gz NOMYRIHMXHQGSU-YTQUADARSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000341057058 474924570 /nfs/dbraw/zinc/92/45/70/474924570.db2.gz NOMYRIHMXHQGSU-YTQUADARSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337355718 474930365 /nfs/dbraw/zinc/93/03/65/474930365.db2.gz AYXSNYRAQXBTGW-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000337357186 474932535 /nfs/dbraw/zinc/93/25/35/474932535.db2.gz FPOMBEVNCIQJMY-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000337357186 474932543 /nfs/dbraw/zinc/93/25/43/474932543.db2.gz FPOMBEVNCIQJMY-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO CO[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000268375285 474946687 /nfs/dbraw/zinc/94/66/87/474946687.db2.gz SVQVYQBFKDMBMY-FQEVSTJZSA-N 1 3 333.520 2.978 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)cc2)CC1 ZINC000268407010 474962595 /nfs/dbraw/zinc/96/25/95/474962595.db2.gz GBIDDAIWCQXBLM-UHFFFAOYSA-N 1 3 341.293 2.774 20 0 EFADHO C[C@@H](NC(=O)c1ccc2c(c1)CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577193 474985087 /nfs/dbraw/zinc/98/50/87/474985087.db2.gz CNBLSSDBCAROIJ-UZLBHIALSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H](NC(=O)c1ccc2c(c1)CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577193 474985095 /nfs/dbraw/zinc/98/50/95/474985095.db2.gz CNBLSSDBCAROIJ-UZLBHIALSA-N 1 3 349.478 2.930 20 0 EFADHO COc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC(F)F ZINC000325238388 474985917 /nfs/dbraw/zinc/98/59/17/474985917.db2.gz QVERSBVOWNHDOI-UHFFFAOYSA-N 1 3 344.402 2.626 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CNCc2ccccc21 ZINC000325667403 474993071 /nfs/dbraw/zinc/99/30/71/474993071.db2.gz LLXPWEDVIYNHLY-LJQANCHMSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)c2cccc3c2CCNC3)([NH+](C)C)C1 ZINC000325837178 474995269 /nfs/dbraw/zinc/99/52/69/474995269.db2.gz VPILQWUAYNMISC-YWZLYKJASA-N 1 3 329.488 2.573 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)c1 ZINC000261615683 474996420 /nfs/dbraw/zinc/99/64/20/474996420.db2.gz FLGYGTUKKSWGID-HAGHYFMRSA-N 1 3 331.504 2.808 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000261617972 474997641 /nfs/dbraw/zinc/99/76/41/474997641.db2.gz AMXOEUNKCMDGNQ-IPMKNSEASA-N 1 3 329.488 2.627 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261617971 474998134 /nfs/dbraw/zinc/99/81/34/474998134.db2.gz AMXOEUNKCMDGNQ-GBESFXJTSA-N 1 3 329.488 2.627 20 0 EFADHO COc1ccc([C@H](NCCOCC[NH+](C)C)c2ccccc2)cc1 ZINC000326326445 475002658 /nfs/dbraw/zinc/00/26/58/475002658.db2.gz YWFZMKCSHPPCBJ-HXUWFJFHSA-N 1 3 328.456 2.952 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261635317 475005009 /nfs/dbraw/zinc/00/50/09/475005009.db2.gz CDPUNKSCEBZTHY-GDAAHCPNSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000341134874 475013077 /nfs/dbraw/zinc/01/30/77/475013077.db2.gz VCOIYWQVJIGERY-XYJFISCASA-N 1 3 346.519 2.898 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285420267 475013234 /nfs/dbraw/zinc/01/32/34/475013234.db2.gz GOWSQAXJIODUCE-DFNIBXOVSA-N 1 3 343.471 2.775 20 0 EFADHO CC(=O)c1ccc(NC(=O)CC[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000285420267 475013241 /nfs/dbraw/zinc/01/32/41/475013241.db2.gz GOWSQAXJIODUCE-DFNIBXOVSA-N 1 3 343.471 2.775 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)C[C@H]1c1ccccc1 ZINC000261669382 475017683 /nfs/dbraw/zinc/01/76/83/475017683.db2.gz IWUNBBBFTPBZKM-MJGOQNOKSA-N 1 3 333.439 2.646 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000268505202 475018150 /nfs/dbraw/zinc/01/81/50/475018150.db2.gz AXJLZNQJEDSWKI-IAGOWNOFSA-N 1 3 327.476 2.783 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000268505202 475018156 /nfs/dbraw/zinc/01/81/56/475018156.db2.gz AXJLZNQJEDSWKI-IAGOWNOFSA-N 1 3 327.476 2.783 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)c2cccc3c2CCNC3)cc1 ZINC000328297513 475027597 /nfs/dbraw/zinc/02/75/97/475027597.db2.gz MBAXYPAWYMCDLL-UHFFFAOYSA-N 1 3 339.439 2.525 20 0 EFADHO COCCN(Cc1cc(Br)cs1)CC1CC[NH2+]CC1 ZINC000261701779 475032017 /nfs/dbraw/zinc/03/20/17/475032017.db2.gz ICOJMHVRZAHDPJ-UHFFFAOYSA-N 1 3 347.322 2.959 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@@H](C)[C@@H]1OC ZINC000337459148 475037481 /nfs/dbraw/zinc/03/74/81/475037481.db2.gz JKCRSXUTZSPHAH-QRVBRYPASA-N 1 3 339.568 2.832 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@H](C)[C@H]1OC ZINC000337459141 475037535 /nfs/dbraw/zinc/03/75/35/475037535.db2.gz JKCRSXUTZSPHAH-IPMKNSEASA-N 1 3 339.568 2.832 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341357692 475044756 /nfs/dbraw/zinc/04/47/56/475044756.db2.gz BESRUZWXBCXGOL-ZWKOTPCHSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1nccn1CCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000268883174 475049184 /nfs/dbraw/zinc/04/91/84/475049184.db2.gz SALNGPNXHXNEBS-UHFFFAOYSA-N 1 3 326.488 2.878 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261751721 475049991 /nfs/dbraw/zinc/04/99/91/475049991.db2.gz HGDJPRGXXVBXFH-LMMKCTJWSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000261754583 475052143 /nfs/dbraw/zinc/05/21/43/475052143.db2.gz MXGBMLWCZHVPNE-IPELMVKDSA-N 1 3 347.503 2.712 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000261764979 475054396 /nfs/dbraw/zinc/05/43/96/475054396.db2.gz NUWGVXYPXAKSMJ-TZMCWYRMSA-N 1 3 339.867 2.594 20 0 EFADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000261773284 475059015 /nfs/dbraw/zinc/05/90/15/475059015.db2.gz ONKKKKLJYVUOQM-CEXWTWQISA-N 1 3 329.488 2.532 20 0 EFADHO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268914336 475068502 /nfs/dbraw/zinc/06/85/02/475068502.db2.gz ZOOIAAUTILWMEG-MRXNPFEDSA-N 1 3 330.476 2.873 20 0 EFADHO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc(OCCN(C)C)c1 ZINC000268916112 475068963 /nfs/dbraw/zinc/06/89/63/475068963.db2.gz NWRXQVHXPMUASD-AWEZNQCLSA-N 1 3 347.425 2.772 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC000339247408 475078634 /nfs/dbraw/zinc/07/86/34/475078634.db2.gz OYJGBGWAJMISEA-SFHVURJKSA-N 1 3 329.488 2.814 20 0 EFADHO N[C@H](C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)C1CCOCC1 ZINC000261853335 475086606 /nfs/dbraw/zinc/08/66/06/475086606.db2.gz RQZSUWHCDSIHAQ-IBGZPJMESA-N 1 3 345.487 2.755 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)C ZINC000339259605 475093139 /nfs/dbraw/zinc/09/31/39/475093139.db2.gz YQEMCRXFWCCGHF-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000281167075 475098828 /nfs/dbraw/zinc/09/88/28/475098828.db2.gz WCONHCUKHPOYIZ-CMJOXMDJSA-N 1 3 338.517 2.579 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)C(CC)(CC)C[NH3+])cc2)CC1 ZINC000261922213 475114070 /nfs/dbraw/zinc/11/40/70/475114070.db2.gz ZPFJHRGRROEWQJ-UHFFFAOYSA-N 1 3 346.519 2.528 20 0 EFADHO Cc1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)c(OCCN(C)C)c1 ZINC000281211659 475118716 /nfs/dbraw/zinc/11/87/16/475118716.db2.gz ATQQDNRETRNEEV-UHFFFAOYSA-N 1 3 348.491 2.541 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)OCCO ZINC000287384090 475124230 /nfs/dbraw/zinc/12/42/30/475124230.db2.gz PRTGAZLYHNYISX-XUVXKRRUSA-N 1 3 346.515 2.664 20 0 EFADHO CN(C)Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000341540156 475126820 /nfs/dbraw/zinc/12/68/20/475126820.db2.gz ZBOZNTUCLKYLSA-GOSISDBHSA-N 1 3 347.528 2.904 20 0 EFADHO CN(C)[C@]1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000269016763 475128571 /nfs/dbraw/zinc/12/85/71/475128571.db2.gz YUNKEAQFFOUJRT-FQEVSTJZSA-N 1 3 347.572 2.720 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(SC)cc1 ZINC000337575329 475143463 /nfs/dbraw/zinc/14/34/63/475143463.db2.gz HXNNZSJCHJVJGM-KRWDZBQOSA-N 1 3 349.544 2.897 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(SC)cc1 ZINC000337575329 475143470 /nfs/dbraw/zinc/14/34/70/475143470.db2.gz HXNNZSJCHJVJGM-KRWDZBQOSA-N 1 3 349.544 2.897 20 0 EFADHO C[NH2+]CCC1CCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 ZINC000262026809 475148529 /nfs/dbraw/zinc/14/85/29/475148529.db2.gz ZSPDDLVMTINXDS-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000269070688 475159513 /nfs/dbraw/zinc/15/95/13/475159513.db2.gz ZYMPSZSIOXFNAT-ZLPCBKJTSA-N 1 3 347.503 2.582 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269076015 475163282 /nfs/dbraw/zinc/16/32/82/475163282.db2.gz YLNDWLCSMYLFPY-OCMBFUTKSA-N 1 3 341.499 2.617 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269076015 475163291 /nfs/dbraw/zinc/16/32/91/475163291.db2.gz YLNDWLCSMYLFPY-OCMBFUTKSA-N 1 3 341.499 2.617 20 0 EFADHO CCC[C@@](C)(N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262091111 475170591 /nfs/dbraw/zinc/17/05/91/475170591.db2.gz AESQHWBIDPMXBK-AZUAARDMSA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@@](C)(N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262091111 475170598 /nfs/dbraw/zinc/17/05/98/475170598.db2.gz AESQHWBIDPMXBK-AZUAARDMSA-N 1 3 331.504 2.875 20 0 EFADHO Fc1ccccc1-c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000262103834 475173746 /nfs/dbraw/zinc/17/37/46/475173746.db2.gz JDVSYVRJTNHYNC-HNNXBMFYSA-N 1 3 329.419 2.565 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCN2C)cc1OC ZINC000341598127 475175248 /nfs/dbraw/zinc/17/52/48/475175248.db2.gz OVFFQMHDDHLKFM-WBVHZDCISA-N 1 3 336.476 2.855 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccc(C3CC3)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262128001 475179782 /nfs/dbraw/zinc/17/97/82/475179782.db2.gz CSCMIZJSRJWDRH-PXNSSMCTSA-N 1 3 341.499 2.644 20 0 EFADHO c1sc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1-c1ccccc1 ZINC000262167005 475189790 /nfs/dbraw/zinc/18/97/90/475189790.db2.gz UMWCZFHAOTYXQY-SFHVURJKSA-N 1 3 327.497 2.895 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262271606 475211285 /nfs/dbraw/zinc/21/12/85/475211285.db2.gz IMYJZQFTLAGFSF-NEWSRXKRSA-N 1 3 329.488 2.627 20 0 EFADHO c1ccc(OCCC[N@H+](C[C@@H]2CCCNC2)C2CCOCC2)cc1 ZINC000339430629 475212922 /nfs/dbraw/zinc/21/29/22/475212922.db2.gz HHFURELEHPGPOE-GOSISDBHSA-N 1 3 332.488 2.936 20 0 EFADHO c1ccc(OCCC[N@@H+](C[C@@H]2CCCNC2)C2CCOCC2)cc1 ZINC000339430629 475212926 /nfs/dbraw/zinc/21/29/26/475212926.db2.gz HHFURELEHPGPOE-GOSISDBHSA-N 1 3 332.488 2.936 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[NH+]1CCCC1 ZINC000345486133 475216131 /nfs/dbraw/zinc/21/61/31/475216131.db2.gz WHYYTXHBXUEWLF-NJAFHUGGSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000339436584 475216611 /nfs/dbraw/zinc/21/66/11/475216611.db2.gz JXXTUTCRTMKHLW-MJGOQNOKSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[NH2+]1 ZINC000262343863 475223095 /nfs/dbraw/zinc/22/30/95/475223095.db2.gz GMJSWPBCZXYWOO-WDSOQIARSA-N 1 3 329.488 2.545 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296215403 475226409 /nfs/dbraw/zinc/22/64/09/475226409.db2.gz BRSVCFUMBKAKHS-IRXDYDNUSA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296215403 475226418 /nfs/dbraw/zinc/22/64/18/475226418.db2.gz BRSVCFUMBKAKHS-IRXDYDNUSA-N 1 3 348.487 2.729 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262384367 475230483 /nfs/dbraw/zinc/23/04/83/475230483.db2.gz YGAYJFYJAXDXPE-SFYZZRBRSA-N 1 3 349.544 2.792 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000352376852 475230967 /nfs/dbraw/zinc/23/09/67/475230967.db2.gz BFXQHDUGVRWRKJ-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000352376852 475230973 /nfs/dbraw/zinc/23/09/73/475230973.db2.gz BFXQHDUGVRWRKJ-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CCOC(=O)c1coc(CNCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000354540794 475235507 /nfs/dbraw/zinc/23/55/07/475235507.db2.gz AZNDEWBXURJWKS-UHFFFAOYSA-N 1 3 343.427 2.858 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CN1Cc1ccccc1 ZINC000262432080 475239983 /nfs/dbraw/zinc/23/99/83/475239983.db2.gz TYFUOZFVOBMLRL-BOFXEDATSA-N 1 3 341.499 2.545 20 0 EFADHO CCN1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173260 475241865 /nfs/dbraw/zinc/24/18/65/475241865.db2.gz DKGVTTOMNQIYDV-BXWFABGCSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@H+]1C[C@H](N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173260 475241873 /nfs/dbraw/zinc/24/18/73/475241873.db2.gz DKGVTTOMNQIYDV-BXWFABGCSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@@H+]1C[C@H](N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173260 475241882 /nfs/dbraw/zinc/24/18/82/475241882.db2.gz DKGVTTOMNQIYDV-BXWFABGCSA-N 1 3 348.510 2.568 20 0 EFADHO COCC1(C(=O)Nc2cccc(CN3CCCCC3)c2)CC[NH2+]CC1 ZINC000262449986 475243493 /nfs/dbraw/zinc/24/34/93/475243493.db2.gz ZMFYMWUXOPCVGU-UHFFFAOYSA-N 1 3 345.487 2.627 20 0 EFADHO CC(C)C[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000361173924 475243888 /nfs/dbraw/zinc/24/38/88/475243888.db2.gz OXGZLAZGQYUGLU-OALUTQOASA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000361173924 475243896 /nfs/dbraw/zinc/24/38/96/475243896.db2.gz OXGZLAZGQYUGLU-OALUTQOASA-N 1 3 331.504 2.951 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000341714424 475245062 /nfs/dbraw/zinc/24/50/62/475245062.db2.gz SROZHPPRKYHHRF-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361173926 475245120 /nfs/dbraw/zinc/24/51/20/475245120.db2.gz OXGZLAZGQYUGLU-RTBURBONSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361173926 475245127 /nfs/dbraw/zinc/24/51/27/475245127.db2.gz OXGZLAZGQYUGLU-RTBURBONSA-N 1 3 331.504 2.951 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000337697400 475249818 /nfs/dbraw/zinc/24/98/18/475249818.db2.gz YZHYMALWTCAJLS-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000337697400 475249827 /nfs/dbraw/zinc/24/98/27/475249827.db2.gz YZHYMALWTCAJLS-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO CCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)CC1 ZINC000339521115 475271792 /nfs/dbraw/zinc/27/17/92/475271792.db2.gz IYSDHESOARXCFY-SFHVURJKSA-N 1 3 338.540 2.671 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000296403066 475299736 /nfs/dbraw/zinc/29/97/36/475299736.db2.gz LPDAFTUPCKDDHX-DLBZAZTESA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000296403066 475299745 /nfs/dbraw/zinc/29/97/45/475299745.db2.gz LPDAFTUPCKDDHX-DLBZAZTESA-N 1 3 348.487 2.729 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357976479 475304948 /nfs/dbraw/zinc/30/49/48/475304948.db2.gz QDWVPCNHLYMELT-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357976479 475304958 /nfs/dbraw/zinc/30/49/58/475304958.db2.gz QDWVPCNHLYMELT-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CSC1c2cc(-c3noc([C@H]4C[N@H+](C)C[C@@H]4C)n3)ccc2NC1=O ZINC000361254373 475305907 /nfs/dbraw/zinc/30/59/07/475305907.db2.gz XUKZEIYTVGGVFL-WFBYXXMGSA-N 1 3 344.440 2.758 20 0 EFADHO CSC1c2cc(-c3noc([C@H]4C[N@@H+](C)C[C@@H]4C)n3)ccc2NC1=O ZINC000361254373 475305915 /nfs/dbraw/zinc/30/59/15/475305915.db2.gz XUKZEIYTVGGVFL-WFBYXXMGSA-N 1 3 344.440 2.758 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000347485244 475318118 /nfs/dbraw/zinc/31/81/18/475318118.db2.gz KEHIWZLKGHUQFM-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000296451308 475321362 /nfs/dbraw/zinc/32/13/62/475321362.db2.gz OGOYPJQGCDXOLQ-SJORKVTESA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000296451308 475321369 /nfs/dbraw/zinc/32/13/69/475321369.db2.gz OGOYPJQGCDXOLQ-SJORKVTESA-N 1 3 348.487 2.586 20 0 EFADHO NCCC[N@H+](CCC(=O)N1CCc2ccccc21)CC1CCCC1 ZINC000352488124 475342485 /nfs/dbraw/zinc/34/24/85/475342485.db2.gz MNMVQDMXPSLGPV-UHFFFAOYSA-N 1 3 329.488 2.807 20 0 EFADHO NCCC[N@@H+](CCC(=O)N1CCc2ccccc21)CC1CCCC1 ZINC000352488124 475342489 /nfs/dbraw/zinc/34/24/89/475342489.db2.gz MNMVQDMXPSLGPV-UHFFFAOYSA-N 1 3 329.488 2.807 20 0 EFADHO [NH3+]CCCN(CCC(=O)N1CCc2ccccc21)CC1CCCC1 ZINC000352488124 475342494 /nfs/dbraw/zinc/34/24/94/475342494.db2.gz MNMVQDMXPSLGPV-UHFFFAOYSA-N 1 3 329.488 2.807 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000361326961 475356383 /nfs/dbraw/zinc/35/63/83/475356383.db2.gz QXVIZTBKNNGYOC-PKOBYXMFSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000361326961 475356385 /nfs/dbraw/zinc/35/63/85/475356385.db2.gz QXVIZTBKNNGYOC-PKOBYXMFSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2C)CC1 ZINC000361326959 475356584 /nfs/dbraw/zinc/35/65/84/475356584.db2.gz QXVIZTBKNNGYOC-IEBWSBKVSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)CC1 ZINC000361326959 475356589 /nfs/dbraw/zinc/35/65/89/475356589.db2.gz QXVIZTBKNNGYOC-IEBWSBKVSA-N 1 3 343.515 2.760 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1(C)C ZINC000296533529 475359460 /nfs/dbraw/zinc/35/94/60/475359460.db2.gz RWEFEBFUHQXWOX-OAHLLOKOSA-N 1 3 336.911 2.728 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000331649399 475363295 /nfs/dbraw/zinc/36/32/95/475363295.db2.gz WHOOOWKQWQGSSF-YJBOKZPZSA-N 1 3 331.460 2.997 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000345684811 475363343 /nfs/dbraw/zinc/36/33/43/475363343.db2.gz DJUVQLKZIRPKEY-IUODEOHRSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000345684811 475363351 /nfs/dbraw/zinc/36/33/51/475363351.db2.gz DJUVQLKZIRPKEY-IUODEOHRSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000345684813 475364161 /nfs/dbraw/zinc/36/41/61/475364161.db2.gz DJUVQLKZIRPKEY-SWLSCSKDSA-N 1 3 325.403 2.982 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000345684813 475364165 /nfs/dbraw/zinc/36/41/65/475364165.db2.gz DJUVQLKZIRPKEY-SWLSCSKDSA-N 1 3 325.403 2.982 20 0 EFADHO CN(CCNC1CC[NH+](CCc2ccccc2)CC1)CC(F)(F)F ZINC000361337341 475367062 /nfs/dbraw/zinc/36/70/62/475367062.db2.gz VLYHKEHSDOMUSW-UHFFFAOYSA-N 1 3 343.437 2.777 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2CC)[C@@H](C)C1 ZINC000361340397 475368105 /nfs/dbraw/zinc/36/81/05/475368105.db2.gz DDIHRWALZRDKFW-FHWLQOOXSA-N 1 3 325.541 2.587 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2CC)[C@H](C)C1 ZINC000361340400 475368228 /nfs/dbraw/zinc/36/82/28/475368228.db2.gz DDIHRWALZRDKFW-QYZOEREBSA-N 1 3 325.541 2.587 20 0 EFADHO CC1CC[NH+]([C@H](CNC(=O)[C@H](N)CC(F)F)c2ccccc2)CC1 ZINC000345704642 475380445 /nfs/dbraw/zinc/38/04/45/475380445.db2.gz FHDZLLFMLOJPRZ-HZPDHXFCSA-N 1 3 339.430 2.558 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)CC1 ZINC000345705764 475381996 /nfs/dbraw/zinc/38/19/96/475381996.db2.gz ZXEPTDPZQYCVBI-MRXNPFEDSA-N 1 3 339.430 2.517 20 0 EFADHO CC[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000361356834 475382574 /nfs/dbraw/zinc/38/25/74/475382574.db2.gz PFGSYGJHFSUVGT-IBGZPJMESA-N 1 3 347.503 2.679 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348099614 475388352 /nfs/dbraw/zinc/38/83/52/475388352.db2.gz DMIANSNPEGVNQQ-HOCLYGCPSA-N 1 3 346.393 2.827 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CC(F)F)CCCC1)c1ccccc1 ZINC000345718615 475390901 /nfs/dbraw/zinc/39/09/01/475390901.db2.gz SVPNQILAMIUSKG-HIFRSBDPSA-N 1 3 339.430 2.749 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCCC1)N1CCC(C)CC1 ZINC000361367961 475391344 /nfs/dbraw/zinc/39/13/44/475391344.db2.gz FIQREJZBOQUAPG-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358098050 475396296 /nfs/dbraw/zinc/39/62/96/475396296.db2.gz OMQIXBFFBINZCI-WMZOPIPTSA-N 1 3 336.524 2.591 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358098050 475396307 /nfs/dbraw/zinc/39/63/07/475396307.db2.gz OMQIXBFFBINZCI-WMZOPIPTSA-N 1 3 336.524 2.591 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361383870 475404329 /nfs/dbraw/zinc/40/43/29/475404329.db2.gz AGHSQMFFSJFZIT-HXUWFJFHSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361383870 475404337 /nfs/dbraw/zinc/40/43/37/475404337.db2.gz AGHSQMFFSJFZIT-HXUWFJFHSA-N 1 3 341.499 2.594 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC[C@@H]2CC)[C@@H](C)C1 ZINC000361396067 475414109 /nfs/dbraw/zinc/41/41/09/475414109.db2.gz CZRRXEZJVQQIRD-UFYCRDLUSA-N 1 3 339.568 2.978 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000358131774 475426383 /nfs/dbraw/zinc/42/63/83/475426383.db2.gz NHRKXWZBXSDRKH-HNNXBMFYSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000361431434 475446096 /nfs/dbraw/zinc/44/60/96/475446096.db2.gz DNKFESDDIBIFBL-CEWLAPEOSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CCO1 ZINC000361431434 475446103 /nfs/dbraw/zinc/44/61/03/475446103.db2.gz DNKFESDDIBIFBL-CEWLAPEOSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000361431435 475447138 /nfs/dbraw/zinc/44/71/38/475447138.db2.gz DNKFESDDIBIFBL-HLAWJBBLSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000361431435 475447146 /nfs/dbraw/zinc/44/71/46/475447146.db2.gz DNKFESDDIBIFBL-HLAWJBBLSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000358162112 475450229 /nfs/dbraw/zinc/45/02/29/475450229.db2.gz LKUQMNNMZODZNE-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000358162112 475450238 /nfs/dbraw/zinc/45/02/38/475450238.db2.gz LKUQMNNMZODZNE-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000345790237 475453416 /nfs/dbraw/zinc/45/34/16/475453416.db2.gz IIWZVMWSSXUDJU-IRXDYDNUSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000361445669 475456382 /nfs/dbraw/zinc/45/63/82/475456382.db2.gz JQNRCCDGDWEERE-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468736 475472804 /nfs/dbraw/zinc/47/28/04/475472804.db2.gz JAZHPMPLTXAQRN-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468736 475472811 /nfs/dbraw/zinc/47/28/11/475472811.db2.gz JAZHPMPLTXAQRN-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345818102 475479967 /nfs/dbraw/zinc/47/99/67/475479967.db2.gz PZDAOMGUDGIJDI-INIZCTEOSA-N 1 3 338.455 2.851 20 0 EFADHO COc1ccnc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000354876667 475482234 /nfs/dbraw/zinc/48/22/34/475482234.db2.gz MSNMAOONDZTBKT-UHFFFAOYSA-N 1 3 326.444 2.834 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000354878652 475484684 /nfs/dbraw/zinc/48/46/84/475484684.db2.gz PFXPEOCWCVNJAO-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000354878652 475484690 /nfs/dbraw/zinc/48/46/90/475484690.db2.gz PFXPEOCWCVNJAO-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352653240 475494526 /nfs/dbraw/zinc/49/45/26/475494526.db2.gz VKIGAKFXETYEOD-ROUUACIJSA-N 1 3 344.565 2.690 20 0 EFADHO CC(C)CCN1CCC(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352653241 475495033 /nfs/dbraw/zinc/49/50/33/475495033.db2.gz VKIGAKFXETYEOD-ZWKOTPCHSA-N 1 3 344.565 2.690 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352655121 475496316 /nfs/dbraw/zinc/49/63/16/475496316.db2.gz GGYFIHKBSJLIGI-FTEYMNFISA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352655121 475496325 /nfs/dbraw/zinc/49/63/25/475496325.db2.gz GGYFIHKBSJLIGI-FTEYMNFISA-N 1 3 343.515 2.886 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000352665954 475508094 /nfs/dbraw/zinc/50/80/94/475508094.db2.gz STGFWVHAIIDPEM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000352665954 475508100 /nfs/dbraw/zinc/50/81/00/475508100.db2.gz STGFWVHAIIDPEM-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO NC(=O)[C@@]1(O)CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000332126501 475521467 /nfs/dbraw/zinc/52/14/67/475521467.db2.gz MWKVKXXXVMYAKG-LJQANCHMSA-N 1 3 331.460 2.535 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342041769 475525808 /nfs/dbraw/zinc/52/58/08/475525808.db2.gz XPWGQCHMNJCHMU-WPVAHCMFSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342041769 475525813 /nfs/dbraw/zinc/52/58/13/475525813.db2.gz XPWGQCHMNJCHMU-WPVAHCMFSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@H](CN1CCC[C@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041769 475525820 /nfs/dbraw/zinc/52/58/20/475525820.db2.gz XPWGQCHMNJCHMU-WPVAHCMFSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@H](CN1CCC[C@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041769 475525825 /nfs/dbraw/zinc/52/58/25/475525825.db2.gz XPWGQCHMNJCHMU-WPVAHCMFSA-N 1 3 336.520 2.909 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@H]1C ZINC000348255249 475529689 /nfs/dbraw/zinc/52/96/89/475529689.db2.gz IFEGGBHJHURMMO-SJORKVTESA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@H]1C ZINC000348255249 475529696 /nfs/dbraw/zinc/52/96/96/475529696.db2.gz IFEGGBHJHURMMO-SJORKVTESA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690238 475534516 /nfs/dbraw/zinc/53/45/16/475534516.db2.gz COLBDWDVDKPHFD-APWZRJJASA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690238 475534521 /nfs/dbraw/zinc/53/45/21/475534521.db2.gz COLBDWDVDKPHFD-APWZRJJASA-N 1 3 346.519 2.770 20 0 EFADHO C[C@@]1(CCCO)CCCN1CCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000345924707 475544006 /nfs/dbraw/zinc/54/40/06/475544006.db2.gz HTBYJQBFFJKGJF-OALUTQOASA-N 1 3 326.525 2.631 20 0 EFADHO C[C@@]1(CCCO)CCCN1CCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000345924707 475544014 /nfs/dbraw/zinc/54/40/14/475544014.db2.gz HTBYJQBFFJKGJF-OALUTQOASA-N 1 3 326.525 2.631 20 0 EFADHO COc1ccc(CN(CC[C@@H]2CCC[N@@H+]2C)[C@@H](CO)C(C)C)cc1 ZINC000352700854 475544874 /nfs/dbraw/zinc/54/48/74/475544874.db2.gz YEZUJFHLLOFVRH-ICSRJNTNSA-N 1 3 334.504 2.998 20 0 EFADHO COc1ccc(CN(CC[C@@H]2CCC[N@H+]2C)[C@@H](CO)C(C)C)cc1 ZINC000352700854 475544881 /nfs/dbraw/zinc/54/48/81/475544881.db2.gz YEZUJFHLLOFVRH-ICSRJNTNSA-N 1 3 334.504 2.998 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@@H]21 ZINC000342079101 475552063 /nfs/dbraw/zinc/55/20/63/475552063.db2.gz DPRYHAKXLQJGHR-VJUNAUMWSA-N 1 3 333.863 2.505 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000352711339 475554363 /nfs/dbraw/zinc/55/43/63/475554363.db2.gz AYQAXLCIHDECSU-SJLPKXTDSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000352711339 475554370 /nfs/dbraw/zinc/55/43/70/475554370.db2.gz AYQAXLCIHDECSU-SJLPKXTDSA-N 1 3 334.508 2.626 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339851691 475560007 /nfs/dbraw/zinc/56/00/07/475560007.db2.gz UBGCNEXKVQQQKV-SCTDSRPQSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339851691 475560010 /nfs/dbraw/zinc/56/00/10/475560010.db2.gz UBGCNEXKVQQQKV-SCTDSRPQSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000338103688 475591542 /nfs/dbraw/zinc/59/15/42/475591542.db2.gz MHMGBJJJFYARHG-SFHVURJKSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1)C(C)C ZINC000338103688 475591550 /nfs/dbraw/zinc/59/15/50/475591550.db2.gz MHMGBJJJFYARHG-SFHVURJKSA-N 1 3 329.488 2.883 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000342421308 475596142 /nfs/dbraw/zinc/59/61/42/475596142.db2.gz REWZMRQZVGHWIV-HNNXBMFYSA-N 1 3 331.435 2.882 20 0 EFADHO C[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000297071739 475598275 /nfs/dbraw/zinc/59/82/75/475598275.db2.gz ZOOSPTMKPTVXBM-CQSZACIVSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346496952 475612718 /nfs/dbraw/zinc/61/27/18/475612718.db2.gz WQEXWHJLRGYEAO-CTNGQTDRSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@H](NC[C@](C)(O)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000358368724 475624243 /nfs/dbraw/zinc/62/42/43/475624243.db2.gz PBNGLRUJMFLVRT-WFASDCNBSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@@H](NC[C@@](C)(O)C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000358368721 475624758 /nfs/dbraw/zinc/62/47/58/475624758.db2.gz PBNGLRUJMFLVRT-IUODEOHRSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000342700667 475627999 /nfs/dbraw/zinc/62/79/99/475627999.db2.gz XXMMTMRLJWVAHL-XEYPJELSSA-N 1 3 343.515 2.886 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+](CC)CC)N(C)C)cc1 ZINC000339948628 475633497 /nfs/dbraw/zinc/63/34/97/475633497.db2.gz ZNYBZFOXCHSEOH-LPHOPBHVSA-N 1 3 348.535 2.881 20 0 EFADHO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000355061296 475636134 /nfs/dbraw/zinc/63/61/34/475636134.db2.gz QDTUQDUZRFQCJB-LMMKCTJWSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000355061296 475636139 /nfs/dbraw/zinc/63/61/39/475636139.db2.gz QDTUQDUZRFQCJB-LMMKCTJWSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000342752104 475636617 /nfs/dbraw/zinc/63/66/17/475636617.db2.gz DNAXIFLMVWWRSD-NZSAHSFTSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000342752104 475636622 /nfs/dbraw/zinc/63/66/22/475636622.db2.gz DNAXIFLMVWWRSD-NZSAHSFTSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000342752104 475636631 /nfs/dbraw/zinc/63/66/31/475636631.db2.gz DNAXIFLMVWWRSD-NZSAHSFTSA-N 1 3 333.520 2.869 20 0 EFADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000297169698 475637790 /nfs/dbraw/zinc/63/77/90/475637790.db2.gz VHIAFMZWXDODHX-LJQANCHMSA-N 1 3 344.503 2.605 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(CN(C)C)CCCC2)[C@H](C)C1 ZINC000355069052 475643200 /nfs/dbraw/zinc/64/32/00/475643200.db2.gz QMIWPRPXBZXTID-MOPGFXCFSA-N 1 3 339.568 2.835 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)c1ccco1 ZINC000355091347 475661428 /nfs/dbraw/zinc/66/14/28/475661428.db2.gz ZWZXQSQQUQDNJD-UXLLHSPISA-N 1 3 348.491 2.658 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccco1 ZINC000355091347 475661429 /nfs/dbraw/zinc/66/14/29/475661429.db2.gz ZWZXQSQQUQDNJD-UXLLHSPISA-N 1 3 348.491 2.658 20 0 EFADHO CC[NH+]1CCC(NCc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000342975380 475668109 /nfs/dbraw/zinc/66/81/09/475668109.db2.gz CQNMDGWQXXJGMT-UHFFFAOYSA-N 1 3 346.427 2.802 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000361692292 475670209 /nfs/dbraw/zinc/67/02/09/475670209.db2.gz JVBMQZVMWSXLIS-YTQUADARSA-N 1 3 346.519 2.804 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000361692292 475670217 /nfs/dbraw/zinc/67/02/17/475670217.db2.gz JVBMQZVMWSXLIS-YTQUADARSA-N 1 3 346.519 2.804 20 0 EFADHO Brc1cnn(CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000355110098 475673959 /nfs/dbraw/zinc/67/39/59/475673959.db2.gz GCQQUIDYNNIMOH-CABCVRRESA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000355110098 475673971 /nfs/dbraw/zinc/67/39/71/475673971.db2.gz GCQQUIDYNNIMOH-CABCVRRESA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)c1 ZINC000355110098 475673979 /nfs/dbraw/zinc/67/39/79/475673979.db2.gz GCQQUIDYNNIMOH-CABCVRRESA-N 1 3 341.297 2.642 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000355116945 475677696 /nfs/dbraw/zinc/67/76/96/475677696.db2.gz YIWHDAVQFQYDQA-VQIMIIECSA-N 1 3 346.519 2.890 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361714028 475689736 /nfs/dbraw/zinc/68/97/36/475689736.db2.gz MEONWFYOBKHNNF-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361714028 475689742 /nfs/dbraw/zinc/68/97/42/475689742.db2.gz MEONWFYOBKHNNF-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000361714027 475690547 /nfs/dbraw/zinc/69/05/47/475690547.db2.gz MEONWFYOBKHNNF-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000361714027 475690554 /nfs/dbraw/zinc/69/05/54/475690554.db2.gz MEONWFYOBKHNNF-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C ZINC000361747991 475718113 /nfs/dbraw/zinc/71/81/13/475718113.db2.gz FVJKCIURBBJGCL-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C ZINC000361747991 475718120 /nfs/dbraw/zinc/71/81/20/475718120.db2.gz FVJKCIURBBJGCL-QFBILLFUSA-N 1 3 346.519 2.762 20 0 EFADHO COc1ccc(-c2cnc(CN3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000358497549 475725776 /nfs/dbraw/zinc/72/57/76/475725776.db2.gz BRRUARCIPNDEER-UHFFFAOYSA-N 1 3 327.428 2.926 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000358498499 475726498 /nfs/dbraw/zinc/72/64/98/475726498.db2.gz CMTDIQYQKUFPNI-GOSISDBHSA-N 1 3 345.462 2.705 20 0 EFADHO CSc1ccc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504685 475732891 /nfs/dbraw/zinc/73/28/91/475732891.db2.gz HNZJAJSFAMKVGY-CQSZACIVSA-N 1 3 333.501 2.811 20 0 EFADHO Cc1ccc([C@@H](NC(=O)CN2CCC3(C2)CC[NH2+]CC3)C2CC2)cc1 ZINC000358507074 475734840 /nfs/dbraw/zinc/73/48/40/475734840.db2.gz MWUCCXNTKGYAOU-HXUWFJFHSA-N 1 3 341.499 2.638 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000338277738 475737812 /nfs/dbraw/zinc/73/78/12/475737812.db2.gz RJFFURSRKBHULD-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1 ZINC000338277733 475738321 /nfs/dbraw/zinc/73/83/21/475738321.db2.gz RJFFURSRKBHULD-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO O=C(c1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1)N1CCCCC1 ZINC000358514716 475740072 /nfs/dbraw/zinc/74/00/72/475740072.db2.gz XJEWWXFOEKVZTI-UHFFFAOYSA-N 1 3 341.499 2.888 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358525417 475745722 /nfs/dbraw/zinc/74/57/22/475745722.db2.gz OELDOGLFVQRXII-ZHALLVOQSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358525417 475745732 /nfs/dbraw/zinc/74/57/32/475745732.db2.gz OELDOGLFVQRXII-ZHALLVOQSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000338293170 475754605 /nfs/dbraw/zinc/75/46/05/475754605.db2.gz WXGISIFAQLKNOJ-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000338293170 475754612 /nfs/dbraw/zinc/75/46/12/475754612.db2.gz WXGISIFAQLKNOJ-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CSC1(CNCc2cnn(-c3ccc(F)cc3)c2)CC[NH+](C)CC1 ZINC000353188428 475755490 /nfs/dbraw/zinc/75/54/90/475755490.db2.gz GUTTYTNLQLGXDD-UHFFFAOYSA-N 1 3 348.491 2.928 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000338297114 475757654 /nfs/dbraw/zinc/75/76/54/475757654.db2.gz RIYZKLNZWBCKQV-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000338297114 475757660 /nfs/dbraw/zinc/75/76/60/475757660.db2.gz RIYZKLNZWBCKQV-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000338303701 475763371 /nfs/dbraw/zinc/76/33/71/475763371.db2.gz WQAONLYJYFCCJA-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)N(C)C)cc1 ZINC000338303701 475763379 /nfs/dbraw/zinc/76/33/79/475763379.db2.gz WQAONLYJYFCCJA-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(OCCC[NH3+])CC2)cc1 ZINC000346691116 475767645 /nfs/dbraw/zinc/76/76/45/475767645.db2.gz VHNVKBLHYCPJQB-UHFFFAOYSA-N 1 3 328.460 2.715 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000346694543 475768976 /nfs/dbraw/zinc/76/89/76/475768976.db2.gz UUHHFBDVFSFKQX-IBGZPJMESA-N 1 3 332.536 2.634 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353206719 475768956 /nfs/dbraw/zinc/76/89/56/475768956.db2.gz QMJCMYQECFOYPM-TZIWHRDSSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353206719 475768964 /nfs/dbraw/zinc/76/89/64/475768964.db2.gz QMJCMYQECFOYPM-TZIWHRDSSA-N 1 3 343.515 2.875 20 0 EFADHO OC[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000297471319 475770536 /nfs/dbraw/zinc/77/05/36/475770536.db2.gz RDJQWHZVFPITRX-NHCUHLMSSA-N 1 3 337.467 2.806 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)NC1CCN(C2CC2)CC1 ZINC000353226968 475785122 /nfs/dbraw/zinc/78/51/22/475785122.db2.gz HPSUPLUIRAPMGT-WOJBJXKFSA-N 1 3 341.499 2.655 20 0 EFADHO C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000355269263 475790360 /nfs/dbraw/zinc/79/03/60/475790360.db2.gz CDWXXBVRDJPZPL-AZUAARDMSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000355269281 475790490 /nfs/dbraw/zinc/79/04/90/475790490.db2.gz CDWXXBVRDJPZPL-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000338345222 475809570 /nfs/dbraw/zinc/80/95/70/475809570.db2.gz BIRIYLYBTMXAHX-CALCHBBNSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000338345222 475809578 /nfs/dbraw/zinc/80/95/78/475809578.db2.gz BIRIYLYBTMXAHX-CALCHBBNSA-N 1 3 331.504 2.886 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)CO2 ZINC000297570887 475811180 /nfs/dbraw/zinc/81/11/80/475811180.db2.gz GQHCGXLTKRNSSI-QGZVFWFLSA-N 1 3 330.472 2.995 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@@H]3CCCOC3)CC2)c1 ZINC000343154246 475814507 /nfs/dbraw/zinc/81/45/07/475814507.db2.gz PQSYBYGBKNJMHL-FQEVSTJZSA-N 1 3 345.531 2.913 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355321329 475825248 /nfs/dbraw/zinc/82/52/48/475825248.db2.gz PQKALPHCJJZWFM-HXUWFJFHSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355321329 475825253 /nfs/dbraw/zinc/82/52/53/475825253.db2.gz PQKALPHCJJZWFM-HXUWFJFHSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340179831 475830140 /nfs/dbraw/zinc/83/01/40/475830140.db2.gz FLXDKXFFFXMFTO-NJYVYQBISA-N 1 3 345.531 2.768 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340179831 475830145 /nfs/dbraw/zinc/83/01/45/475830145.db2.gz FLXDKXFFFXMFTO-NJYVYQBISA-N 1 3 345.531 2.768 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000333088465 475835302 /nfs/dbraw/zinc/83/53/02/475835302.db2.gz CBKJJBAEQAMTPG-CEXWTWQISA-N 1 3 343.519 2.573 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000353284841 475835722 /nfs/dbraw/zinc/83/57/22/475835722.db2.gz GUPMVCDEPIMQJR-INIZCTEOSA-N 1 3 329.492 2.630 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000297628391 475836301 /nfs/dbraw/zinc/83/63/01/475836301.db2.gz LWSVQPRXDLLXLB-KUHUBIRLSA-N 1 3 329.419 2.901 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cn(C(C)C)nc2C)[C@@H](C)C1 ZINC000361897804 475851469 /nfs/dbraw/zinc/85/14/69/475851469.db2.gz WHDHMKSZXGDKEK-LPHOPBHVSA-N 1 3 336.524 2.999 20 0 EFADHO Cc1cccc(C)c1NC(=O)CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000297671985 475852603 /nfs/dbraw/zinc/85/26/03/475852603.db2.gz OQZNQVAZNLWGFR-UHFFFAOYSA-N 1 3 338.455 2.896 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000338393905 475859924 /nfs/dbraw/zinc/85/99/24/475859924.db2.gz BDZQPGFZMLIQMC-QAPCUYQASA-N 1 3 329.488 2.883 20 0 EFADHO CN(c1ccccc1C[N@H+](C)CC1(O)CCC1)C1CCN(C)CC1 ZINC000355359876 475865631 /nfs/dbraw/zinc/86/56/31/475865631.db2.gz DDLOWJWJSWAKEJ-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)CC1(O)CCC1)C1CCN(C)CC1 ZINC000355359876 475865642 /nfs/dbraw/zinc/86/56/42/475865642.db2.gz DDLOWJWJSWAKEJ-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO COCCCN1CCC([NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340222845 475866469 /nfs/dbraw/zinc/86/64/69/475866469.db2.gz YPNQUAHPLTYULZ-NHCUHLMSSA-N 1 3 345.531 2.912 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000333201671 475868269 /nfs/dbraw/zinc/86/82/69/475868269.db2.gz XZANONSFQJGNII-PKOBYXMFSA-N 1 3 346.471 2.566 20 0 EFADHO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCCNC1 ZINC000333228002 475876387 /nfs/dbraw/zinc/87/63/87/475876387.db2.gz BHUXHSTZWGTKSD-SSWGIJEZSA-N 1 3 327.472 2.797 20 0 EFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340238754 475881372 /nfs/dbraw/zinc/88/13/72/475881372.db2.gz SUUIPURDLNBXCP-HBMCJLEFSA-N 1 3 345.531 2.504 20 0 EFADHO CC1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340238759 475881408 /nfs/dbraw/zinc/88/14/08/475881408.db2.gz SUUIPURDLNBXCP-PWRODBHTSA-N 1 3 345.531 2.504 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000358721241 475883640 /nfs/dbraw/zinc/88/36/40/475883640.db2.gz QTAMZJKRNFVFOR-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Cl ZINC000346819353 475884785 /nfs/dbraw/zinc/88/47/85/475884785.db2.gz BGOCCLBSSBUQQN-WMZOPIPTSA-N 1 3 349.906 2.729 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000349048677 475899478 /nfs/dbraw/zinc/89/94/78/475899478.db2.gz ZVYFJPAKOFAIQH-UHFFFAOYSA-N 1 3 345.531 2.858 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297854482 475906251 /nfs/dbraw/zinc/90/62/51/475906251.db2.gz OXCWVSYUNJJVNR-FQEVSTJZSA-N 1 3 344.503 2.740 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297854482 475906258 /nfs/dbraw/zinc/90/62/58/475906258.db2.gz OXCWVSYUNJJVNR-FQEVSTJZSA-N 1 3 344.503 2.740 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000358755530 475909984 /nfs/dbraw/zinc/90/99/84/475909984.db2.gz TWGSGGVHRCSMHN-LJQANCHMSA-N 1 3 342.487 2.570 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000355408910 475910839 /nfs/dbraw/zinc/91/08/39/475910839.db2.gz KZECJXIYGZYXQK-LMMKCTJWSA-N 1 3 329.488 2.813 20 0 EFADHO CCN(CC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000361990612 475919694 /nfs/dbraw/zinc/91/96/94/475919694.db2.gz PQZSUQUUMDKBEK-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000353390035 475930282 /nfs/dbraw/zinc/93/02/82/475930282.db2.gz SRPUIUAJUBHQGZ-QZTJIDSGSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1 ZINC000353390035 475930288 /nfs/dbraw/zinc/93/02/88/475930288.db2.gz SRPUIUAJUBHQGZ-QZTJIDSGSA-N 1 3 340.895 2.854 20 0 EFADHO CCN(CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1)C1CC1 ZINC000338478543 475943299 /nfs/dbraw/zinc/94/32/99/475943299.db2.gz UUBRZNKRNJLXML-GOSISDBHSA-N 1 3 338.540 2.671 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000353409843 475945586 /nfs/dbraw/zinc/94/55/86/475945586.db2.gz GKGSKWOAZRURDI-IBGZPJMESA-N 1 3 344.503 2.561 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000346895618 475945998 /nfs/dbraw/zinc/94/59/98/475945998.db2.gz YXCURIKTIHFAEH-MBOZVWFJSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000346895618 475946008 /nfs/dbraw/zinc/94/60/08/475946008.db2.gz YXCURIKTIHFAEH-MBOZVWFJSA-N 1 3 344.503 2.860 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410403 475946526 /nfs/dbraw/zinc/94/65/26/475946526.db2.gz XGPUAQICBRHZNO-BURNTYAHSA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410403 475946532 /nfs/dbraw/zinc/94/65/32/475946532.db2.gz XGPUAQICBRHZNO-BURNTYAHSA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410403 475946536 /nfs/dbraw/zinc/94/65/36/475946536.db2.gz XGPUAQICBRHZNO-BURNTYAHSA-N 1 3 344.499 2.682 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@H+](C)C[C@H]2CCCN(C)C2)CCO1 ZINC000297995104 475947106 /nfs/dbraw/zinc/94/71/06/475947106.db2.gz ZBBYGQBILAUZDN-MSOLQXFVSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[N@@H+](C)C[C@H]2CCCN(C)C2)CCO1 ZINC000297995104 475947114 /nfs/dbraw/zinc/94/71/14/475947114.db2.gz ZBBYGQBILAUZDN-MSOLQXFVSA-N 1 3 331.504 2.685 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353428335 475956920 /nfs/dbraw/zinc/95/69/20/475956920.db2.gz MQJDOJUPGVIIDM-RTBURBONSA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000353427480 475957366 /nfs/dbraw/zinc/95/73/66/475957366.db2.gz LIOBWVPLBBAOJR-RBUKOAKNSA-N 1 3 343.515 2.574 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000338498751 475957899 /nfs/dbraw/zinc/95/78/99/475957899.db2.gz WYIQRQPCYPIRMI-PKOBYXMFSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353428334 475957919 /nfs/dbraw/zinc/95/79/19/475957919.db2.gz MQJDOJUPGVIIDM-RBUKOAKNSA-N 1 3 329.488 2.677 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)c1ccsc1 ZINC000353429669 475959665 /nfs/dbraw/zinc/95/96/65/475959665.db2.gz PXUDAHSKJMWPSP-ZACQAIPSSA-N 1 3 337.533 2.881 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353438108 475966376 /nfs/dbraw/zinc/96/63/76/475966376.db2.gz YWPDNEJWINWTEN-OAHLLOKOSA-N 1 3 345.409 2.814 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(N)C(F)(F)F)c1 ZINC000353438108 475966382 /nfs/dbraw/zinc/96/63/82/475966382.db2.gz YWPDNEJWINWTEN-OAHLLOKOSA-N 1 3 345.409 2.814 20 0 EFADHO C[C@H]1CC2(CN1Cc1nc(-c3ccc(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333566022 475968922 /nfs/dbraw/zinc/96/89/22/475968922.db2.gz LTAUDQGIDBIWBZ-LBPRGKRZSA-N 1 3 348.397 2.979 20 0 EFADHO C[C@H]1CC2(CN1Cc1nc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000333567353 475969453 /nfs/dbraw/zinc/96/94/53/475969453.db2.gz LWRFWMMPWLAHLI-ZDUSSCGKSA-N 1 3 330.407 2.840 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000340353447 475972144 /nfs/dbraw/zinc/97/21/44/475972144.db2.gz YBHGZACGEUKTDB-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353446503 475973868 /nfs/dbraw/zinc/97/38/68/475973868.db2.gz JYDXJJJNHFGINH-VDGAXYAQSA-N 1 3 343.515 2.962 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071097 475976509 /nfs/dbraw/zinc/97/65/09/475976509.db2.gz VTKCUEFWYUYQJQ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071097 475976514 /nfs/dbraw/zinc/97/65/14/475976514.db2.gz VTKCUEFWYUYQJQ-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCOc1ccccc1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362077841 475982468 /nfs/dbraw/zinc/98/24/68/475982468.db2.gz KEPUTWOQSAAIHO-MJGOQNOKSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccccc1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362077841 475982473 /nfs/dbraw/zinc/98/24/73/475982473.db2.gz KEPUTWOQSAAIHO-MJGOQNOKSA-N 1 3 331.504 2.543 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@@H](CN)c2ccc(F)cc2)CCCCCC1 ZINC000358850266 475986131 /nfs/dbraw/zinc/98/61/31/475986131.db2.gz RWBJIIHKZWVQMQ-KRWDZBQOSA-N 1 3 335.467 2.639 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000353458914 475986832 /nfs/dbraw/zinc/98/68/32/475986832.db2.gz KTRCAPRVOSKTJH-ROUUACIJSA-N 1 3 349.544 2.710 20 0 EFADHO Cc1cccc(C[C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298113709 475988034 /nfs/dbraw/zinc/98/80/34/475988034.db2.gz ONILWFDTDKIGFD-IBGZPJMESA-N 1 3 325.456 2.552 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000353462471 475988432 /nfs/dbraw/zinc/98/84/32/475988432.db2.gz SSFJXQHIYQISCK-QYZOEREBSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000298136129 475994591 /nfs/dbraw/zinc/99/45/91/475994591.db2.gz ZAASKXVTJWKHHH-BYUNMRKYSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000298136129 475994597 /nfs/dbraw/zinc/99/45/97/475994597.db2.gz ZAASKXVTJWKHHH-BYUNMRKYSA-N 1 3 344.503 2.602 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358866379 475999164 /nfs/dbraw/zinc/99/91/64/475999164.db2.gz QSZUFFJGDQVIHL-RKVPGOIHSA-N 1 3 349.494 2.741 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358866382 475999185 /nfs/dbraw/zinc/99/91/85/475999185.db2.gz QSZUFFJGDQVIHL-RVKKMQEKSA-N 1 3 349.494 2.741 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358866382 475999192 /nfs/dbraw/zinc/99/91/92/475999192.db2.gz QSZUFFJGDQVIHL-RVKKMQEKSA-N 1 3 349.494 2.741 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000298151440 476000541 /nfs/dbraw/zinc/00/05/41/476000541.db2.gz ASCIEMBFAOOVPQ-INIZCTEOSA-N 1 3 340.895 2.884 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccccc2Cl)CC1 ZINC000298151440 476000544 /nfs/dbraw/zinc/00/05/44/476000544.db2.gz ASCIEMBFAOOVPQ-INIZCTEOSA-N 1 3 340.895 2.884 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358888529 476014100 /nfs/dbraw/zinc/01/41/00/476014100.db2.gz SVESOVJQUDEMLO-ROUUACIJSA-N 1 3 335.467 2.639 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358888529 476014106 /nfs/dbraw/zinc/01/41/06/476014106.db2.gz SVESOVJQUDEMLO-ROUUACIJSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000298194472 476014824 /nfs/dbraw/zinc/01/48/24/476014824.db2.gz CBXAROTWYMDWID-HOTGVXAUSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H](n2cncn2)C1 ZINC000333769431 476024233 /nfs/dbraw/zinc/02/42/33/476024233.db2.gz BVIVZGDTXKJXRL-YOGICOQOSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](n2cncn2)C1 ZINC000333769431 476024238 /nfs/dbraw/zinc/02/42/38/476024238.db2.gz BVIVZGDTXKJXRL-YOGICOQOSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@@H](n2cncn2)C1 ZINC000333769424 476024645 /nfs/dbraw/zinc/02/46/45/476024645.db2.gz BVIVZGDTXKJXRL-GNCLCZFSSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H](n2cncn2)C1 ZINC000333769424 476024651 /nfs/dbraw/zinc/02/46/51/476024651.db2.gz BVIVZGDTXKJXRL-GNCLCZFSSA-N 1 3 343.519 2.751 20 0 EFADHO O=C1CCCN1Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298245199 476032433 /nfs/dbraw/zinc/03/24/33/476032433.db2.gz CTXBWVJMEBRREL-UHFFFAOYSA-N 1 3 327.472 2.525 20 0 EFADHO CC[NH2+]CC1CCN(Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000347018912 476038991 /nfs/dbraw/zinc/03/89/91/476038991.db2.gz LLDCZYLDQMOPCH-UHFFFAOYSA-N 1 3 344.459 2.779 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525337 476046124 /nfs/dbraw/zinc/04/61/24/476046124.db2.gz YJMPBHBYPYYLGI-BRSBDYLESA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525337 476046131 /nfs/dbraw/zinc/04/61/31/476046131.db2.gz YJMPBHBYPYYLGI-BRSBDYLESA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525337 476046137 /nfs/dbraw/zinc/04/61/37/476046137.db2.gz YJMPBHBYPYYLGI-BRSBDYLESA-N 1 3 338.442 2.893 20 0 EFADHO COC(C)(C)[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000340464729 476050226 /nfs/dbraw/zinc/05/02/26/476050226.db2.gz SYXFBNVKYJCJIJ-IBGZPJMESA-N 1 3 347.547 2.988 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC000340468551 476053599 /nfs/dbraw/zinc/05/35/99/476053599.db2.gz FNZATGKTVIHAKO-XWTMOSNGSA-N 1 3 344.565 2.690 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC000340468547 476054821 /nfs/dbraw/zinc/05/48/21/476054821.db2.gz FNZATGKTVIHAKO-XDNAFOTISA-N 1 3 344.565 2.690 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@]3(C)CCCO3)cc2)CC1 ZINC000340472689 476055870 /nfs/dbraw/zinc/05/58/70/476055870.db2.gz KJCPCYKYZRSHNU-NQIIRXRSSA-N 1 3 345.531 2.871 20 0 EFADHO Cc1c[nH+]ccc1NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000358941834 476056898 /nfs/dbraw/zinc/05/68/98/476056898.db2.gz ZQPNSORYKYRPHE-UHFFFAOYSA-N 1 3 338.499 2.822 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353537748 476057705 /nfs/dbraw/zinc/05/77/05/476057705.db2.gz QXEFPJYNTCSGAR-LJQANCHMSA-N 1 3 336.499 2.925 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000343439205 476065360 /nfs/dbraw/zinc/06/53/60/476065360.db2.gz GXLXHVGCXXMKGB-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CC[C@H]2CCCO2)CC1 ZINC000343439205 476065368 /nfs/dbraw/zinc/06/53/68/476065368.db2.gz GXLXHVGCXXMKGB-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO Cn1ccnc1COc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000350143848 476067166 /nfs/dbraw/zinc/06/71/66/476067166.db2.gz BLVJAPLZHRSIIH-UHFFFAOYSA-N 1 3 342.487 2.773 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)CC(C)C ZINC000340517058 476079714 /nfs/dbraw/zinc/07/97/14/476079714.db2.gz YFVICSNYPYVSRV-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)CC(C)C ZINC000340517058 476079716 /nfs/dbraw/zinc/07/97/16/476079716.db2.gz YFVICSNYPYVSRV-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CCOC(=O)COc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000347097420 476092262 /nfs/dbraw/zinc/09/22/62/476092262.db2.gz IKHNNLMFRKIYEW-IBGZPJMESA-N 1 3 346.471 2.593 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115427 476104119 /nfs/dbraw/zinc/10/41/19/476104119.db2.gz ABDQILCLIOZCDE-OXQOHEQNSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000347115427 476104131 /nfs/dbraw/zinc/10/41/31/476104131.db2.gz ABDQILCLIOZCDE-OXQOHEQNSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706502 476104232 /nfs/dbraw/zinc/10/42/32/476104232.db2.gz ACENBBBJAUZRFT-MGPUTAFESA-N 1 3 331.479 2.913 20 0 EFADHO C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C1CCN(C)CC1 ZINC000343706502 476104238 /nfs/dbraw/zinc/10/42/38/476104238.db2.gz ACENBBBJAUZRFT-MGPUTAFESA-N 1 3 331.479 2.913 20 0 EFADHO CCCN(CCc1cccs1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000362245065 476106709 /nfs/dbraw/zinc/10/67/09/476106709.db2.gz HFZGUANAWYXQBM-UHFFFAOYSA-N 1 3 337.533 2.603 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000336681647 476124779 /nfs/dbraw/zinc/12/47/79/476124779.db2.gz DWIQARBFIVXKCW-PKOFMYQESA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000336681647 476124784 /nfs/dbraw/zinc/12/47/84/476124784.db2.gz DWIQARBFIVXKCW-PKOFMYQESA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000336681650 476125041 /nfs/dbraw/zinc/12/50/41/476125041.db2.gz DWIQARBFIVXKCW-ZKIDJSGLSA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1OC ZINC000336681650 476125049 /nfs/dbraw/zinc/12/50/49/476125049.db2.gz DWIQARBFIVXKCW-ZKIDJSGLSA-N 1 3 332.488 2.679 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336723192 476127214 /nfs/dbraw/zinc/12/72/14/476127214.db2.gz UBSCEAJTYXAEQG-MISYRCLQSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723192 476127219 /nfs/dbraw/zinc/12/72/19/476127219.db2.gz UBSCEAJTYXAEQG-MISYRCLQSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723192 476127224 /nfs/dbraw/zinc/12/72/24/476127224.db2.gz UBSCEAJTYXAEQG-MISYRCLQSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336723193 476128349 /nfs/dbraw/zinc/12/83/49/476128349.db2.gz UBSCEAJTYXAEQG-YSIASYRMSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723193 476128359 /nfs/dbraw/zinc/12/83/59/476128359.db2.gz UBSCEAJTYXAEQG-YSIASYRMSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723193 476128365 /nfs/dbraw/zinc/12/83/65/476128365.db2.gz UBSCEAJTYXAEQG-YSIASYRMSA-N 1 3 334.504 2.520 20 0 EFADHO COC(=O)c1coc([C@H](C)NCC2(SC)CC[NH+](C)CC2)c1 ZINC000353624351 476132797 /nfs/dbraw/zinc/13/27/97/476132797.db2.gz DMNCBBXUSFGUCM-LBPRGKRZSA-N 1 3 326.462 2.544 20 0 EFADHO COCC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000353632427 476140513 /nfs/dbraw/zinc/14/05/13/476140513.db2.gz TVNIAHPRYNHWIB-YSTOQKLRSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000353632427 476140516 /nfs/dbraw/zinc/14/05/16/476140516.db2.gz TVNIAHPRYNHWIB-YSTOQKLRSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000353632427 476140520 /nfs/dbraw/zinc/14/05/20/476140520.db2.gz TVNIAHPRYNHWIB-YSTOQKLRSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000353632426 476140568 /nfs/dbraw/zinc/14/05/68/476140568.db2.gz TVNIAHPRYNHWIB-UAFMIMERSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000353632426 476140572 /nfs/dbraw/zinc/14/05/72/476140572.db2.gz TVNIAHPRYNHWIB-UAFMIMERSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000353632426 476140576 /nfs/dbraw/zinc/14/05/76/476140576.db2.gz TVNIAHPRYNHWIB-UAFMIMERSA-N 1 3 332.488 2.538 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCc2ccccn2)CC1 ZINC000350392102 476164027 /nfs/dbraw/zinc/16/40/27/476164027.db2.gz NPQVFJODTLAQHJ-UHFFFAOYSA-N 1 3 338.499 2.898 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCc2ccccn2)CC1 ZINC000350392102 476164035 /nfs/dbraw/zinc/16/40/35/476164035.db2.gz NPQVFJODTLAQHJ-UHFFFAOYSA-N 1 3 338.499 2.898 20 0 EFADHO CCC[N@H+](CCOc1cccc(F)c1)CCN1CCN(CC)CC1 ZINC000344144738 476164555 /nfs/dbraw/zinc/16/45/55/476164555.db2.gz OAXXDGOTKAYPLF-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO CCC[N@@H+](CCOc1cccc(F)c1)CCN1CCN(CC)CC1 ZINC000344144738 476164566 /nfs/dbraw/zinc/16/45/66/476164566.db2.gz OAXXDGOTKAYPLF-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO C[C@H](CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)N1CCCC[C@H]1C ZINC000344149440 476165290 /nfs/dbraw/zinc/16/52/90/476165290.db2.gz UIHWQMGCZZXGSO-TVFCKZIOSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H](CCc1ccsc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000353668445 476172417 /nfs/dbraw/zinc/17/24/17/476172417.db2.gz GDIWVFCKRHUVRX-INIZCTEOSA-N 1 3 337.533 2.651 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338769545 476173294 /nfs/dbraw/zinc/17/32/94/476173294.db2.gz IPSAJQBAYCCJSK-LPHOPBHVSA-N 1 3 341.499 2.813 20 0 EFADHO O=C(C[NH2+]C1CCC(C(F)(F)F)CC1)NCCN1CCCCCC1 ZINC000353669412 476174489 /nfs/dbraw/zinc/17/44/89/476174489.db2.gz JAUZNDPLIHXVRZ-UHFFFAOYSA-N 1 3 349.441 2.689 20 0 EFADHO COc1ccc(CC[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000336886157 476177423 /nfs/dbraw/zinc/17/74/23/476177423.db2.gz FPRSVFWMHYFPTI-UHFFFAOYSA-N 1 3 341.455 2.900 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000357036713 476178205 /nfs/dbraw/zinc/17/82/05/476178205.db2.gz JXVIMGSUTRHDAV-KZNAEPCWSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@H]1C ZINC000357036713 476178211 /nfs/dbraw/zinc/17/82/11/476178211.db2.gz JXVIMGSUTRHDAV-KZNAEPCWSA-N 1 3 331.504 2.886 20 0 EFADHO Cn1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000357048533 476187260 /nfs/dbraw/zinc/18/72/60/476187260.db2.gz KNFIYOXMQPASIA-HNNXBMFYSA-N 1 3 330.501 2.970 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359103265 476190553 /nfs/dbraw/zinc/19/05/53/476190553.db2.gz GXQCFMNZWFOKMD-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359103265 476190558 /nfs/dbraw/zinc/19/05/58/476190558.db2.gz GXQCFMNZWFOKMD-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000350458105 476191603 /nfs/dbraw/zinc/19/16/03/476191603.db2.gz NOTMAVBQHOFKDV-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@@H]2C)CC1 ZINC000350458103 476191921 /nfs/dbraw/zinc/19/19/21/476191921.db2.gz NOTMAVBQHOFKDV-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)CC1 ZINC000344262337 476195922 /nfs/dbraw/zinc/19/59/22/476195922.db2.gz WTWVYQXKYUBOMW-AEFFLSMTSA-N 1 3 338.540 2.526 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](CC)C(C)C)N(C)C)cc1 ZINC000338804023 476200355 /nfs/dbraw/zinc/20/03/55/476200355.db2.gz FUFWLOMHLTXSQE-IBGZPJMESA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](CC)C(C)C)N(C)C)cc1 ZINC000338804023 476200362 /nfs/dbraw/zinc/20/03/62/476200362.db2.gz FUFWLOMHLTXSQE-IBGZPJMESA-N 1 3 348.535 2.881 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000347258031 476210586 /nfs/dbraw/zinc/21/05/86/476210586.db2.gz MZZDDDDYLQAUEF-HNAYVOBHSA-N 1 3 343.519 2.507 20 0 EFADHO CN(CCC1CC[NH2+]CC1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000359207485 476212889 /nfs/dbraw/zinc/21/28/89/476212889.db2.gz BGNHYJYIQUYJQY-IBGZPJMESA-N 1 3 330.451 2.970 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000357080122 476215557 /nfs/dbraw/zinc/21/55/57/476215557.db2.gz STQFOYKYFVFPPL-LPHOPBHVSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000357083234 476217177 /nfs/dbraw/zinc/21/71/77/476217177.db2.gz ORTXZSAHSNZURP-MPGHIAIKSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000303060079 476217580 /nfs/dbraw/zinc/21/75/80/476217580.db2.gz LNTLUJOZZBORTB-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000338827552 476217931 /nfs/dbraw/zinc/21/79/31/476217931.db2.gz GJFXBDNXFBWPIA-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000338827552 476217940 /nfs/dbraw/zinc/21/79/40/476217940.db2.gz GJFXBDNXFBWPIA-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000347268438 476218075 /nfs/dbraw/zinc/21/80/75/476218075.db2.gz JILZLYYPXAARPE-WBVHZDCISA-N 1 3 345.512 2.688 20 0 EFADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357084718 476218455 /nfs/dbraw/zinc/21/84/55/476218455.db2.gz MKQIGIXIJMRYEL-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000347268437 476218437 /nfs/dbraw/zinc/21/84/37/476218437.db2.gz JILZLYYPXAARPE-RDJZCZTQSA-N 1 3 345.512 2.688 20 0 EFADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357084718 476218464 /nfs/dbraw/zinc/21/84/64/476218464.db2.gz MKQIGIXIJMRYEL-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000347270989 476219606 /nfs/dbraw/zinc/21/96/06/476219606.db2.gz PGCGQJSKRYWIAH-CRAIPNDOSA-N 1 3 345.512 2.688 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000359333137 476223033 /nfs/dbraw/zinc/22/30/33/476223033.db2.gz SDYRCMMHLYTCKI-JYJNAYRXSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359333137 476223040 /nfs/dbraw/zinc/22/30/40/476223040.db2.gz SDYRCMMHLYTCKI-JYJNAYRXSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353731368 476224369 /nfs/dbraw/zinc/22/43/69/476224369.db2.gz VFKKDTQZMLWLSA-HKUYNNGSSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353731368 476224376 /nfs/dbraw/zinc/22/43/76/476224376.db2.gz VFKKDTQZMLWLSA-HKUYNNGSSA-N 1 3 343.515 2.875 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)C ZINC000353731206 476224857 /nfs/dbraw/zinc/22/48/57/476224857.db2.gz YYYNAISPEPZYPF-DWRORGKVSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)C ZINC000353731206 476224863 /nfs/dbraw/zinc/22/48/63/476224863.db2.gz YYYNAISPEPZYPF-DWRORGKVSA-N 1 3 346.519 2.768 20 0 EFADHO COCc1cccc(OCC2(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)CCC2)c1 ZINC000357093594 476226650 /nfs/dbraw/zinc/22/66/50/476226650.db2.gz WVXSSXRMVWVULV-RBUKOAKNSA-N 1 3 344.499 2.923 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCCc3ccncc3)CC2)C[C@@H](C)O1 ZINC000347292828 476235349 /nfs/dbraw/zinc/23/53/49/476235349.db2.gz CWCSRDXOCBKSIU-QZTJIDSGSA-N 1 3 331.504 2.835 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000344310268 476238660 /nfs/dbraw/zinc/23/86/60/476238660.db2.gz YDDQHOIUSYVMRI-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000353745564 476239833 /nfs/dbraw/zinc/23/98/33/476239833.db2.gz JMGNSDRIHVQVIJ-AZUAARDMSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000353745564 476239839 /nfs/dbraw/zinc/23/98/39/476239839.db2.gz JMGNSDRIHVQVIJ-AZUAARDMSA-N 1 3 344.547 2.743 20 0 EFADHO CC[NH+](CC)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000303560622 476241082 /nfs/dbraw/zinc/24/10/82/476241082.db2.gz XIFSTZJAHILDSF-GOSISDBHSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000303603480 476242889 /nfs/dbraw/zinc/24/28/89/476242889.db2.gz NZCMFJVOJFAPEF-RTBURBONSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000303603480 476242894 /nfs/dbraw/zinc/24/28/94/476242894.db2.gz NZCMFJVOJFAPEF-RTBURBONSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000344316400 476244244 /nfs/dbraw/zinc/24/42/44/476244244.db2.gz ZQXNVAORBHGMAG-ZWKOTPCHSA-N 1 3 349.519 2.951 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000353750749 476245694 /nfs/dbraw/zinc/24/56/94/476245694.db2.gz YXLZZTTUDJLRTL-FUHWJXTLSA-N 1 3 348.487 2.933 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000353750749 476245701 /nfs/dbraw/zinc/24/57/01/476245701.db2.gz YXLZZTTUDJLRTL-FUHWJXTLSA-N 1 3 348.487 2.933 20 0 EFADHO CC[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+](CC)CC ZINC000359674220 476258326 /nfs/dbraw/zinc/25/83/26/476258326.db2.gz DMEUJGZWJWLCIS-RTBURBONSA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353843484 476297938 /nfs/dbraw/zinc/29/79/38/476297938.db2.gz PCODHPLVKLVJHY-ULQDDVLXSA-N 1 3 340.508 2.587 20 0 EFADHO CC[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353843481 476298111 /nfs/dbraw/zinc/29/81/11/476298111.db2.gz PCODHPLVKLVJHY-BBWFWOEESA-N 1 3 340.508 2.587 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@@H](C)C1 ZINC000353863899 476304880 /nfs/dbraw/zinc/30/48/80/476304880.db2.gz HEFPTISSIHBKIQ-FUHWJXTLSA-N 1 3 330.476 2.561 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357268510 476310181 /nfs/dbraw/zinc/31/01/81/476310181.db2.gz FCFUINJFQIBZSD-UHOSZYNNSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000357268510 476310182 /nfs/dbraw/zinc/31/01/82/476310182.db2.gz FCFUINJFQIBZSD-UHOSZYNNSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000357268508 476310206 /nfs/dbraw/zinc/31/02/06/476310206.db2.gz FCFUINJFQIBZSD-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000357268508 476310209 /nfs/dbraw/zinc/31/02/09/476310209.db2.gz FCFUINJFQIBZSD-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CC[NH+]1CCCC1)N(C)C ZINC000357281926 476314559 /nfs/dbraw/zinc/31/45/59/476314559.db2.gz LFRQXXIQCYBWJF-HKUYNNGSSA-N 1 3 346.519 2.723 20 0 EFADHO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000357300956 476322029 /nfs/dbraw/zinc/32/20/29/476322029.db2.gz HFZMXZUFCBTGHP-LPHOPBHVSA-N 1 3 346.519 2.661 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1)N(C)C ZINC000357321157 476330748 /nfs/dbraw/zinc/33/07/48/476330748.db2.gz ZYHBXPNOJXKKSM-LNLFQRSKSA-N 1 3 346.519 2.722 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353952099 476334378 /nfs/dbraw/zinc/33/43/78/476334378.db2.gz SPXMRDNJOPBZRE-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353952099 476334382 /nfs/dbraw/zinc/33/43/82/476334382.db2.gz SPXMRDNJOPBZRE-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CN2CCCC2)c2ccccc2C1 ZINC000360672149 476336628 /nfs/dbraw/zinc/33/66/28/476336628.db2.gz NOFKJPKUKFFROB-OXJNMPFZSA-N 1 3 329.488 2.801 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000357368901 476348202 /nfs/dbraw/zinc/34/82/02/476348202.db2.gz WKZJWCWHOGDBNO-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000357376710 476350398 /nfs/dbraw/zinc/35/03/98/476350398.db2.gz BAYVPPKVKSEYEC-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000354006294 476357613 /nfs/dbraw/zinc/35/76/13/476357613.db2.gz LLRAEQQNCGXUMR-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000354006294 476357619 /nfs/dbraw/zinc/35/76/19/476357619.db2.gz LLRAEQQNCGXUMR-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000354012408 476363228 /nfs/dbraw/zinc/36/32/28/476363228.db2.gz YYFPICOKRPTFHZ-KRWDZBQOSA-N 1 3 329.488 2.839 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375649 476373712 /nfs/dbraw/zinc/37/37/12/476373712.db2.gz JAMJZMICODHSNT-OALUTQOASA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375649 476373719 /nfs/dbraw/zinc/37/37/19/476373719.db2.gz JAMJZMICODHSNT-OALUTQOASA-N 1 3 327.472 2.639 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354035190 476381805 /nfs/dbraw/zinc/38/18/05/476381805.db2.gz KGPMWBMAYCQTKH-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccccc2NC(C)=O)C1 ZINC000354078537 476410823 /nfs/dbraw/zinc/41/08/23/476410823.db2.gz UKEJVUJSHMIYSV-GOSISDBHSA-N 1 3 333.476 2.578 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)ccc1OCCN1CCCC1 ZINC000362810237 476419872 /nfs/dbraw/zinc/41/98/72/476419872.db2.gz XMLMZBUIKNYDIB-SJLPKXTDSA-N 1 3 345.487 2.606 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)ccc1OCCN1CCCC1 ZINC000362810237 476419879 /nfs/dbraw/zinc/41/98/79/476419879.db2.gz XMLMZBUIKNYDIB-SJLPKXTDSA-N 1 3 345.487 2.606 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1(C)C ZINC000369500405 476421913 /nfs/dbraw/zinc/42/19/13/476421913.db2.gz LKRWYGVULGDMCE-IEBWSBKVSA-N 1 3 330.520 2.723 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1(C)C ZINC000369500404 476422379 /nfs/dbraw/zinc/42/23/79/476422379.db2.gz LKRWYGVULGDMCE-HKUYNNGSSA-N 1 3 330.520 2.723 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCC(C)CC2)[C@@H](C)C1 ZINC000360859073 476433348 /nfs/dbraw/zinc/43/33/48/476433348.db2.gz NEXDINIDUGHRES-ZCNNSNEGSA-N 1 3 339.568 2.833 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000374060926 476451159 /nfs/dbraw/zinc/45/11/59/476451159.db2.gz IJIXTEXWKVNUPS-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374158592 476456699 /nfs/dbraw/zinc/45/66/99/476456699.db2.gz CVPPUBXOPCDLGS-AZUAARDMSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374158592 476456703 /nfs/dbraw/zinc/45/67/03/476456703.db2.gz CVPPUBXOPCDLGS-AZUAARDMSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@H]1CCCC[C@@H]1N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374175686 476458244 /nfs/dbraw/zinc/45/82/44/476458244.db2.gz RITNYCQKTRGZMT-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362930140 476487671 /nfs/dbraw/zinc/48/76/71/476487671.db2.gz KLKNAPCIRNETNF-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000369719930 476494636 /nfs/dbraw/zinc/49/46/36/476494636.db2.gz CKAZIDQHUPYGTI-FQEVSTJZSA-N 1 3 346.519 2.540 20 0 EFADHO COCOc1ccc(OC)cc1CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000369724115 476495232 /nfs/dbraw/zinc/49/52/32/476495232.db2.gz ZNSLPCWKETXHCW-UHFFFAOYSA-N 1 3 348.487 2.986 20 0 EFADHO C[C@H](C[NH+](C)C)NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000351756418 476497177 /nfs/dbraw/zinc/49/71/77/476497177.db2.gz AAJUQWIIWFCGQR-MJGOQNOKSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000354204539 476502144 /nfs/dbraw/zinc/50/21/44/476502144.db2.gz FOELZEUITQYSRI-WBVHZDCISA-N 1 3 349.544 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000354204539 476502150 /nfs/dbraw/zinc/50/21/50/476502150.db2.gz FOELZEUITQYSRI-WBVHZDCISA-N 1 3 349.544 2.828 20 0 EFADHO C[C@H](CCNC(=O)N(C)CCN1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000351876016 476503882 /nfs/dbraw/zinc/50/38/82/476503882.db2.gz ADQFALQADSFAGE-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](CCNC(=O)N(C)CCN1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000351876016 476503890 /nfs/dbraw/zinc/50/38/90/476503890.db2.gz ADQFALQADSFAGE-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO CN1CCC(CC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000362972991 476510976 /nfs/dbraw/zinc/51/09/76/476510976.db2.gz RDDKVQGKWUWGAM-UHFFFAOYSA-N 1 3 329.488 2.994 20 0 EFADHO CN1CCC(CC(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CC1 ZINC000362972991 476510982 /nfs/dbraw/zinc/51/09/82/476510982.db2.gz RDDKVQGKWUWGAM-UHFFFAOYSA-N 1 3 329.488 2.994 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000369759929 476512082 /nfs/dbraw/zinc/51/20/82/476512082.db2.gz KYGHZZLZVWFPND-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)N(C)C ZINC000369759929 476512088 /nfs/dbraw/zinc/51/20/88/476512088.db2.gz KYGHZZLZVWFPND-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCCN1C1CCCC1 ZINC000377675991 476513710 /nfs/dbraw/zinc/51/37/10/476513710.db2.gz SHJLPTWOJFVPBR-LJQANCHMSA-N 1 3 333.520 2.774 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@H]1C ZINC000354222434 476514669 /nfs/dbraw/zinc/51/46/69/476514669.db2.gz JGMRALCJLTZQBM-HZPDHXFCSA-N 1 3 334.460 2.989 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@H]1C ZINC000354222434 476514676 /nfs/dbraw/zinc/51/46/76/476514676.db2.gz JGMRALCJLTZQBM-HZPDHXFCSA-N 1 3 334.460 2.989 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000354222435 476515429 /nfs/dbraw/zinc/51/54/29/476515429.db2.gz JGMRALCJLTZQBM-JKSUJKDBSA-N 1 3 334.460 2.989 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCCOc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000354222435 476515436 /nfs/dbraw/zinc/51/54/36/476515436.db2.gz JGMRALCJLTZQBM-JKSUJKDBSA-N 1 3 334.460 2.989 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000357655648 476518142 /nfs/dbraw/zinc/51/81/42/476518142.db2.gz VPZMLCVMGSQCGN-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000357655648 476518147 /nfs/dbraw/zinc/51/81/47/476518147.db2.gz VPZMLCVMGSQCGN-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000354230950 476524066 /nfs/dbraw/zinc/52/40/66/476524066.db2.gz PNUHCDQZXSKUED-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO COC(=O)c1cc(CNCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n(C)c1C ZINC000360983937 476525616 /nfs/dbraw/zinc/52/56/16/476525616.db2.gz BXBSSBITXLFPHT-HOTGVXAUSA-N 1 3 349.519 2.968 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000364463673 476530610 /nfs/dbraw/zinc/53/06/10/476530610.db2.gz UTUYWTPEPVPPBE-HOTGVXAUSA-N 1 3 335.517 2.781 20 0 EFADHO COCc1ccccc1/C=C(\C)CNCCC[NH+]1CCC(O)CC1 ZINC000352221827 476562394 /nfs/dbraw/zinc/56/23/94/476562394.db2.gz OAQKPYGLZWWMKD-SAPNQHFASA-N 1 3 332.488 2.673 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377761795 476566185 /nfs/dbraw/zinc/56/61/85/476566185.db2.gz PTWDCAYBNHTFES-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377761795 476566190 /nfs/dbraw/zinc/56/61/90/476566190.db2.gz PTWDCAYBNHTFES-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000365372447 476569165 /nfs/dbraw/zinc/56/91/65/476569165.db2.gz XSXNLLRJQJDRKJ-JEVOJNTISA-N 1 3 348.535 2.519 20 0 EFADHO CCn1cc(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000377765970 476569044 /nfs/dbraw/zinc/56/90/44/476569044.db2.gz VTZBPMXTZYLMGW-LEWJYISDSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1cc(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000377765970 476569049 /nfs/dbraw/zinc/56/90/49/476569049.db2.gz VTZBPMXTZYLMGW-LEWJYISDSA-N 1 3 338.499 2.899 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000365372447 476569168 /nfs/dbraw/zinc/56/91/68/476569168.db2.gz XSXNLLRJQJDRKJ-JEVOJNTISA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357779205 476597909 /nfs/dbraw/zinc/59/79/09/476597909.db2.gz JQJNPBDARMYGHY-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357779205 476597916 /nfs/dbraw/zinc/59/79/16/476597916.db2.gz JQJNPBDARMYGHY-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)C1 ZINC000354344750 476599967 /nfs/dbraw/zinc/59/99/67/476599967.db2.gz AKDYKLTUERLDFX-PMACEKPBSA-N 1 3 339.568 2.571 20 0 EFADHO NC[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000365569550 476626703 /nfs/dbraw/zinc/62/67/03/476626703.db2.gz SPIVULKUVNVGBK-BEFAXECRSA-N 1 3 325.456 2.736 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000365595020 476638451 /nfs/dbraw/zinc/63/84/51/476638451.db2.gz MTSBWSCNCCJTQE-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000365595020 476638456 /nfs/dbraw/zinc/63/84/56/476638456.db2.gz MTSBWSCNCCJTQE-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357866734 476659635 /nfs/dbraw/zinc/65/96/35/476659635.db2.gz KAFREMACKZBROT-SJORKVTESA-N 1 3 336.524 2.591 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357866734 476659637 /nfs/dbraw/zinc/65/96/37/476659637.db2.gz KAFREMACKZBROT-SJORKVTESA-N 1 3 336.524 2.591 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365644262 476660484 /nfs/dbraw/zinc/66/04/84/476660484.db2.gz XPFFGQBXWFRCEO-CABCVRRESA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365644262 476660491 /nfs/dbraw/zinc/66/04/91/476660491.db2.gz XPFFGQBXWFRCEO-CABCVRRESA-N 1 3 341.455 2.851 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000421824320 476694937 /nfs/dbraw/zinc/69/49/37/476694937.db2.gz IBONUIANXAYCGA-CZUORRHYSA-N 1 3 328.859 2.847 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCCC2 ZINC000442888595 476704618 /nfs/dbraw/zinc/70/46/18/476704618.db2.gz GSZFCYSQIWGFAM-QZTJIDSGSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)(C)c1ccc(CCNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058098 476708246 /nfs/dbraw/zinc/70/82/46/476708246.db2.gz JFUSHBCOCFHJFC-GOSISDBHSA-N 1 3 345.531 2.704 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000444182178 476721180 /nfs/dbraw/zinc/72/11/80/476721180.db2.gz KHWODZCUDYMPKZ-SFHLNBCPSA-N 1 3 341.499 2.575 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000422636207 476726743 /nfs/dbraw/zinc/72/67/43/476726743.db2.gz MPYVHIBDYLABES-HNAWSFBYSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1CN ZINC000422636207 476726748 /nfs/dbraw/zinc/72/67/48/476726748.db2.gz MPYVHIBDYLABES-HNAWSFBYSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1CN ZINC000422636207 476726753 /nfs/dbraw/zinc/72/67/53/476726753.db2.gz MPYVHIBDYLABES-HNAWSFBYSA-N 1 3 343.515 2.876 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641866 476729603 /nfs/dbraw/zinc/72/96/03/476729603.db2.gz YNPHCCKUUIAUTF-PMPSAXMXSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422641866 476729611 /nfs/dbraw/zinc/72/96/11/476729611.db2.gz YNPHCCKUUIAUTF-PMPSAXMXSA-N 1 3 333.476 2.719 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1C[C@H](CN)[C@H](C)C[C@@H]1C ZINC000422641866 476729622 /nfs/dbraw/zinc/72/96/22/476729622.db2.gz YNPHCCKUUIAUTF-PMPSAXMXSA-N 1 3 333.476 2.719 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379665541 476730221 /nfs/dbraw/zinc/73/02/21/476730221.db2.gz TUGVLKVULGKIGW-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379674637 476731286 /nfs/dbraw/zinc/73/12/86/476731286.db2.gz UYGZYEAESIDLFF-NEPXVJNWSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379668707 476731753 /nfs/dbraw/zinc/73/17/53/476731753.db2.gz FBGJNGTUYXULGS-NEWSRXKRSA-N 1 3 329.488 2.688 20 0 EFADHO c1cc(CN2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422690892 476732016 /nfs/dbraw/zinc/73/20/16/476732016.db2.gz HHCZGKMDEPDOSV-SLFFLAALSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@H](CCNC(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC000445251652 476732861 /nfs/dbraw/zinc/73/28/61/476732861.db2.gz QAYAIANAJYVHKK-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO O=C1C[C@@H]([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCCN1 ZINC000380094625 476733622 /nfs/dbraw/zinc/73/36/22/476733622.db2.gz VSQZOTLPADRWAA-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@@H](NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094625 476733628 /nfs/dbraw/zinc/73/36/28/476733628.db2.gz VSQZOTLPADRWAA-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C1C[C@@H](NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCCN1 ZINC000380094625 476733634 /nfs/dbraw/zinc/73/36/34/476733634.db2.gz VSQZOTLPADRWAA-MOPGFXCFSA-N 1 3 329.488 2.547 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])N1CCCCC1 ZINC000422709866 476736717 /nfs/dbraw/zinc/73/67/17/476736717.db2.gz LBGHINMLSXOIHR-NEWSRXKRSA-N 1 3 331.504 2.939 20 0 EFADHO COCCN(C)CC[C@@H](N[C@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709172 476737192 /nfs/dbraw/zinc/73/71/92/476737192.db2.gz CZDLGEOTTXKTRJ-YZGWKJHDSA-N 1 3 333.520 2.816 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422712255 476739475 /nfs/dbraw/zinc/73/94/75/476739475.db2.gz NUAJMQKWPQZXKX-KCQAQPDRSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000422712255 476739479 /nfs/dbraw/zinc/73/94/79/476739479.db2.gz NUAJMQKWPQZXKX-KCQAQPDRSA-N 1 3 338.293 2.745 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000422712307 476739771 /nfs/dbraw/zinc/73/97/71/476739771.db2.gz IHPYMUKWFZXHRA-NPPFBWRTSA-N 1 3 337.511 2.981 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C)N1CCc2ccccc2C1 ZINC000422712307 476739776 /nfs/dbraw/zinc/73/97/76/476739776.db2.gz IHPYMUKWFZXHRA-NPPFBWRTSA-N 1 3 337.511 2.981 20 0 EFADHO COc1cccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422714614 476740531 /nfs/dbraw/zinc/74/05/31/476740531.db2.gz RETMDANESBYBFC-NVXWUHKLSA-N 1 3 340.471 2.787 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000381615059 476740737 /nfs/dbraw/zinc/74/07/37/476740737.db2.gz PZPONDHTRNHQRY-HUUCEWRRSA-N 1 3 348.491 2.942 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422718070 476741506 /nfs/dbraw/zinc/74/15/06/476741506.db2.gz WKXRGDJADDLKIN-IRXDYDNUSA-N 1 3 325.566 2.845 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422719963 476743509 /nfs/dbraw/zinc/74/35/09/476743509.db2.gz RSLQMCIZDHAJGZ-RZXSNQJFSA-N 1 3 327.516 2.944 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422720789 476743591 /nfs/dbraw/zinc/74/35/91/476743591.db2.gz TWMQQEICUQZHQT-RLLQIKCJSA-N 1 3 333.520 2.674 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@@H]3CN)CC2)oc1C ZINC000422719222 476744123 /nfs/dbraw/zinc/74/41/23/476744123.db2.gz YEIVVYPNYYRNMP-MSOLQXFVSA-N 1 3 334.508 2.611 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000382624266 476744902 /nfs/dbraw/zinc/74/49/02/476744902.db2.gz PNVBRXYIOHNYCY-KRWDZBQOSA-N 1 3 339.524 2.953 20 0 EFADHO COCCN(C)CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422723033 476745169 /nfs/dbraw/zinc/74/51/69/476745169.db2.gz ZLERLYPZAGIYPN-JIRNRHONSA-N 1 3 331.504 2.569 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451961193 476747133 /nfs/dbraw/zinc/74/71/33/476747133.db2.gz CWOFCNYOJHSBRO-GOSISDBHSA-N 1 3 325.566 2.622 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451961193 476747140 /nfs/dbraw/zinc/74/71/40/476747140.db2.gz CWOFCNYOJHSBRO-GOSISDBHSA-N 1 3 325.566 2.622 20 0 EFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422728370 476747537 /nfs/dbraw/zinc/74/75/37/476747537.db2.gz FZGNEYYBKNILDA-MHTWAQMVSA-N 1 3 343.515 2.570 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422728405 476747676 /nfs/dbraw/zinc/74/76/76/476747676.db2.gz GFSMEMLUVYAZIG-BURNTYAHSA-N 1 3 345.531 2.598 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccncc2)c1 ZINC000422730475 476749078 /nfs/dbraw/zinc/74/90/78/476749078.db2.gz JTDUVJZNFTWMJP-PKOBYXMFSA-N 1 3 338.455 2.941 20 0 EFADHO CSc1nnc(CCC[NH2+][C@@H]2CCNCC[C@@H]2C)n1CC(C)C ZINC000422733457 476749858 /nfs/dbraw/zinc/74/98/58/476749858.db2.gz RBOWMNYLSNEQEC-LSDHHAIUSA-N 1 3 339.553 2.566 20 0 EFADHO CSc1nnc(CCC[NH2+][C@H]2CCNCC[C@H]2C)n1CC(C)C ZINC000422733454 476750113 /nfs/dbraw/zinc/75/01/13/476750113.db2.gz RBOWMNYLSNEQEC-CABCVRRESA-N 1 3 339.553 2.566 20 0 EFADHO CN(CCCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739225 476753781 /nfs/dbraw/zinc/75/37/81/476753781.db2.gz KVCHYAOOYCJZMI-SLFFLAALSA-N 1 3 331.504 2.650 20 0 EFADHO COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422750227 476759224 /nfs/dbraw/zinc/75/92/24/476759224.db2.gz AIAJWWFDAGETMS-NHJHPMQKSA-N 1 3 329.488 2.705 20 0 EFADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752659 476759838 /nfs/dbraw/zinc/75/98/38/476759838.db2.gz CWHDJAGOJAJPJS-IJXRJRJASA-N 1 3 347.478 2.541 20 0 EFADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752661 476759978 /nfs/dbraw/zinc/75/99/78/476759978.db2.gz CWHDJAGOJAJPJS-OJAHFUOMSA-N 1 3 347.478 2.541 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591470 476761952 /nfs/dbraw/zinc/76/19/52/476761952.db2.gz IPWIJNICQLPRQJ-PMACEKPBSA-N 1 3 340.467 2.538 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591470 476761960 /nfs/dbraw/zinc/76/19/60/476761960.db2.gz IPWIJNICQLPRQJ-PMACEKPBSA-N 1 3 340.467 2.538 20 0 EFADHO C[C@@H](NC1(CN[C@H](C)[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758859 476763397 /nfs/dbraw/zinc/76/33/97/476763397.db2.gz JGSRRUXEMPHWFE-ZHALLVOQSA-N 1 3 331.504 2.617 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H]2CSc3ccccc32)CC[NH2+]CC1 ZINC000422760102 476765194 /nfs/dbraw/zinc/76/51/94/476765194.db2.gz LOVZWVAOCCOJIZ-UKRRQHHQSA-N 1 3 334.485 2.744 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H]2CSc3ccccc32)CC[NH2+]CC1 ZINC000422760103 476765291 /nfs/dbraw/zinc/76/52/91/476765291.db2.gz LOVZWVAOCCOJIZ-ZFWWWQNUSA-N 1 3 334.485 2.744 20 0 EFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422774525 476771128 /nfs/dbraw/zinc/77/11/28/476771128.db2.gz XITVGLKDLICRFZ-GUDVDZBRSA-N 1 3 334.529 2.975 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000422783668 476772139 /nfs/dbraw/zinc/77/21/39/476772139.db2.gz NFBAZIXGYHJTIL-NJDAHSKKSA-N 1 3 341.543 2.986 20 0 EFADHO Cc1cccc2c(CCN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422782407 476772345 /nfs/dbraw/zinc/77/23/45/476772345.db2.gz LZCAPTHSTZWDOH-IPMKNSEASA-N 1 3 327.472 2.766 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1csc(-c2ccccc2)n1 ZINC000422782688 476772517 /nfs/dbraw/zinc/77/25/17/476772517.db2.gz KAAXLVBQFVNEOG-XKQJLSEDSA-N 1 3 331.485 2.695 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000387698614 476772575 /nfs/dbraw/zinc/77/25/75/476772575.db2.gz WSBCFPHKFINLJJ-ROUUACIJSA-N 1 3 331.504 2.964 20 0 EFADHO COc1ccc([C@H](C)CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422782050 476773179 /nfs/dbraw/zinc/77/31/79/476773179.db2.gz MOODYQANPMTCHC-XWPNQZOQSA-N 1 3 332.488 2.936 20 0 EFADHO C[C@H](OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422786991 476774610 /nfs/dbraw/zinc/77/46/10/476774610.db2.gz POZLNJVYCHSOBV-IJXRJRJASA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422790475 476776659 /nfs/dbraw/zinc/77/66/59/476776659.db2.gz CBPYXLBOMJYTSZ-IIYDPXPESA-N 1 3 328.859 2.608 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422790475 476776665 /nfs/dbraw/zinc/77/66/65/476776665.db2.gz CBPYXLBOMJYTSZ-IIYDPXPESA-N 1 3 328.859 2.608 20 0 EFADHO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422793195 476777284 /nfs/dbraw/zinc/77/72/84/476777284.db2.gz RZUFZWQMKWETBG-KGLIPLIRSA-N 1 3 329.444 2.975 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365955708 476782103 /nfs/dbraw/zinc/78/21/03/476782103.db2.gz XPUXYZJHVYAILA-NUJGCVRESA-N 1 3 326.550 2.951 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000389989586 476788574 /nfs/dbraw/zinc/78/85/74/476788574.db2.gz NUGHJXHEAWCLCD-QFMLELGNSA-N 1 3 341.499 2.544 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC000422814739 476790851 /nfs/dbraw/zinc/79/08/51/476790851.db2.gz ADCGJNMFMJTEAN-UTKZUKDTSA-N 1 3 334.467 2.963 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422818873 476792465 /nfs/dbraw/zinc/79/24/65/476792465.db2.gz HHDHGYSBLYTOSY-GXTWGEPZSA-N 1 3 339.867 2.784 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422818873 476792471 /nfs/dbraw/zinc/79/24/71/476792471.db2.gz HHDHGYSBLYTOSY-GXTWGEPZSA-N 1 3 339.867 2.784 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422819860 476793725 /nfs/dbraw/zinc/79/37/25/476793725.db2.gz JCSZHQVZGDSNFC-OCCSQVGLSA-N 1 3 339.867 2.703 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1CN ZINC000422819860 476793732 /nfs/dbraw/zinc/79/37/32/476793732.db2.gz JCSZHQVZGDSNFC-OCCSQVGLSA-N 1 3 339.867 2.703 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000422822296 476796043 /nfs/dbraw/zinc/79/60/43/476796043.db2.gz AOAHZARWANPEAC-CRAIPNDOSA-N 1 3 333.476 2.785 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422824088 476796213 /nfs/dbraw/zinc/79/62/13/476796213.db2.gz MUQSSQSPTBCYKP-VXGBXAGGSA-N 1 3 327.856 2.701 20 0 EFADHO NC[C@@H]1CCC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725721 476796887 /nfs/dbraw/zinc/79/68/87/476796887.db2.gz DKOHBKMCMYIIBM-IBGZPJMESA-N 1 3 345.487 2.706 20 0 EFADHO NC[C@@H]1CCC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725721 476796890 /nfs/dbraw/zinc/79/68/90/476796890.db2.gz DKOHBKMCMYIIBM-IBGZPJMESA-N 1 3 345.487 2.706 20 0 EFADHO [NH3+]C[C@@H]1CCCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000390725721 476796899 /nfs/dbraw/zinc/79/68/99/476796899.db2.gz DKOHBKMCMYIIBM-IBGZPJMESA-N 1 3 345.487 2.706 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422826961 476797215 /nfs/dbraw/zinc/79/72/15/476797215.db2.gz RSACENOZQGUTAB-MAZHCROVSA-N 1 3 346.393 2.607 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(COCC(F)(F)F)cc1 ZINC000422827174 476797638 /nfs/dbraw/zinc/79/76/38/476797638.db2.gz RSACENOZQGUTAB-RCBQFDQVSA-N 1 3 346.393 2.607 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842187 476804150 /nfs/dbraw/zinc/80/41/50/476804150.db2.gz FGPGUCDFHKDFDA-PKOBYXMFSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422842046 476805186 /nfs/dbraw/zinc/80/51/86/476805186.db2.gz FBIJDVVMFZGLBJ-PKOBYXMFSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H]1CCCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422860546 476815428 /nfs/dbraw/zinc/81/54/28/476815428.db2.gz LNGANPOEXMLJOH-POAQFYNOSA-N 1 3 329.488 2.564 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000422861987 476816374 /nfs/dbraw/zinc/81/63/74/476816374.db2.gz PGOBSWPULHAOIL-HNNXBMFYSA-N 1 3 335.455 2.928 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCc1ccn(-c2ccccc2)n1 ZINC000422864737 476817337 /nfs/dbraw/zinc/81/73/37/476817337.db2.gz VUNYRGCLLWZBTO-UTKZUKDTSA-N 1 3 334.467 2.963 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@@H]3CN)CCOCC2)cc1 ZINC000422875922 476823410 /nfs/dbraw/zinc/82/34/10/476823410.db2.gz DMURNLBIRMMBBC-APWZRJJASA-N 1 3 332.488 2.851 20 0 EFADHO CN1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392268099 476824056 /nfs/dbraw/zinc/82/40/56/476824056.db2.gz QRKOWXWYWHYVEE-IAGOWNOFSA-N 1 3 337.508 2.921 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882515 476825590 /nfs/dbraw/zinc/82/55/90/476825590.db2.gz AVAABYLEJYREIP-YSSFQJQWSA-N 1 3 328.456 2.951 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCCOc1ccc2ccccc2c1 ZINC000422882515 476825600 /nfs/dbraw/zinc/82/56/00/476825600.db2.gz AVAABYLEJYREIP-YSSFQJQWSA-N 1 3 328.456 2.951 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)cc1OC(F)F ZINC000422885602 476826702 /nfs/dbraw/zinc/82/67/02/476826702.db2.gz YXHFLNHCTUEUHC-TZMCWYRMSA-N 1 3 328.403 2.817 20 0 EFADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)cc1OC(F)F ZINC000422885602 476826705 /nfs/dbraw/zinc/82/67/05/476826705.db2.gz YXHFLNHCTUEUHC-TZMCWYRMSA-N 1 3 328.403 2.817 20 0 EFADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422886636 476829083 /nfs/dbraw/zinc/82/90/83/476829083.db2.gz JIQLJTFVBWPVQC-MISYRCLQSA-N 1 3 327.472 2.847 20 0 EFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000422888662 476829371 /nfs/dbraw/zinc/82/93/71/476829371.db2.gz DNTVEHBMVXBJEM-LEWJYISDSA-N 1 3 344.547 2.574 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000392703558 476829516 /nfs/dbraw/zinc/82/95/16/476829516.db2.gz GZBSKIITRWRSKN-IPMKNSEASA-N 1 3 329.488 2.847 20 0 EFADHO CCN1CCN(Cc2ccccc2CN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422896116 476832558 /nfs/dbraw/zinc/83/25/58/476832558.db2.gz XKACNQOBKYILRX-SFTDATJTSA-N 1 3 344.547 2.574 20 0 EFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCCN3)CC2)nc1 ZINC000422897728 476833909 /nfs/dbraw/zinc/83/39/09/476833909.db2.gz KHEBTTZZRVHAOZ-PWRODBHTSA-N 1 3 342.531 2.946 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422897863 476834227 /nfs/dbraw/zinc/83/42/27/476834227.db2.gz KKHPPXQGFNPBMQ-GSEOLPGOSA-N 1 3 332.488 2.635 20 0 EFADHO COc1ccc(C2(C[NH2+][C@H]3CCNCC[C@@H]3C)CCOCC2)cc1 ZINC000422899325 476835384 /nfs/dbraw/zinc/83/53/84/476835384.db2.gz OJXNYSIWMRGANS-LPHOPBHVSA-N 1 3 332.488 2.721 20 0 EFADHO COc1ccc(OCCC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1 ZINC000422899722 476835658 /nfs/dbraw/zinc/83/56/58/476835658.db2.gz PAKLOAZYJBTCAJ-AWEZNQCLSA-N 1 3 329.444 2.977 20 0 EFADHO C(CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422900789 476837719 /nfs/dbraw/zinc/83/77/19/476837719.db2.gz ATYFPFNJZKIWMK-OWCLPIDISA-N 1 3 349.544 2.701 20 0 EFADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422900689 476837978 /nfs/dbraw/zinc/83/79/78/476837978.db2.gz QWGOCZPLMZYPDZ-CWRNSKLLSA-N 1 3 326.868 2.759 20 0 EFADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422900689 476837984 /nfs/dbraw/zinc/83/79/84/476837984.db2.gz QWGOCZPLMZYPDZ-CWRNSKLLSA-N 1 3 326.868 2.759 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908593 476840505 /nfs/dbraw/zinc/84/05/05/476840505.db2.gz YUVUJOKXQXIRIH-NOLJZWGESA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908593 476840513 /nfs/dbraw/zinc/84/05/13/476840513.db2.gz YUVUJOKXQXIRIH-NOLJZWGESA-N 1 3 346.393 2.552 20 0 EFADHO C[C@H]1CN(CCSCc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370500860 476840734 /nfs/dbraw/zinc/84/07/34/476840734.db2.gz SGHJIMKRPLWMCS-AZUAARDMSA-N 1 3 347.572 2.878 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422917794 476845346 /nfs/dbraw/zinc/84/53/46/476845346.db2.gz HAMMLCSRDCAJIF-BVPBIZIASA-N 1 3 338.879 2.854 20 0 EFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)ccc2c1 ZINC000422922773 476846361 /nfs/dbraw/zinc/84/63/61/476846361.db2.gz UIVXNEHCZOGBSO-MISYRCLQSA-N 1 3 338.499 3.547 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nnc2n1CCCCC2 ZINC000422921377 476847374 /nfs/dbraw/zinc/84/73/74/476847374.db2.gz NZYZFKWSJQHDLV-SJORKVTESA-N 1 3 333.524 2.838 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000422925560 476848550 /nfs/dbraw/zinc/84/85/50/476848550.db2.gz BAXQDQCRLDFAEW-LLVKDONJSA-N 1 3 330.881 2.813 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000422930018 476850686 /nfs/dbraw/zinc/85/06/86/476850686.db2.gz ASVMYUQECYKZPG-AXVVYFOYSA-N 1 3 331.504 2.513 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422928316 476851090 /nfs/dbraw/zinc/85/10/90/476851090.db2.gz KAIPPPAMJRQIGW-QIJZBDPFSA-N 1 3 326.868 2.839 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422928313 476851268 /nfs/dbraw/zinc/85/12/68/476851268.db2.gz KAIPPPAMJRQIGW-JSQNDZKTSA-N 1 3 326.868 2.839 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000422934014 476852320 /nfs/dbraw/zinc/85/23/20/476852320.db2.gz BXTFAMINHFFRSR-UFCFODDWSA-N 1 3 343.515 2.668 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422933634 476852409 /nfs/dbraw/zinc/85/24/09/476852409.db2.gz BPFALGAWIYFDEK-MJBXVCDLSA-N 1 3 340.309 2.991 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000422934012 476853011 /nfs/dbraw/zinc/85/30/11/476853011.db2.gz BXTFAMINHFFRSR-HQKNPNQUSA-N 1 3 343.515 2.668 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000430548533 476853851 /nfs/dbraw/zinc/85/38/51/476853851.db2.gz LWVQIKQOYPSZEE-WDYCEAGBSA-N 1 3 329.488 2.630 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422941939 476857324 /nfs/dbraw/zinc/85/73/24/476857324.db2.gz OYRJZVDRNPQXIW-VAMGGRTRSA-N 1 3 348.487 2.983 20 0 EFADHO C[C@H]1CC[NH2+]C[C@@H]1NC1CCN(c2nc3ccccc3s2)CC1 ZINC000422944449 476858603 /nfs/dbraw/zinc/85/86/03/476858603.db2.gz MGSFLOHFEMXFOA-BBRMVZONSA-N 1 3 330.501 2.853 20 0 EFADHO CCc1noc(-c2ccc(CC[NH2+][C@@H]3CCCC[C@H]3CN)cc2)n1 ZINC000422952142 476862829 /nfs/dbraw/zinc/86/28/29/476862829.db2.gz BWVNKXMPXMHGEO-DLBZAZTESA-N 1 3 328.460 2.949 20 0 EFADHO CC1CC[NH+](CC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000457079524 476863884 /nfs/dbraw/zinc/86/38/84/476863884.db2.gz FOQCHUDFTOWFOY-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO C[C@H](NCC1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCC2 ZINC000414074964 476864484 /nfs/dbraw/zinc/86/44/84/476864484.db2.gz HALWRHJAOASIHF-HNNXBMFYSA-N 1 3 325.460 2.792 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000398038193 476865306 /nfs/dbraw/zinc/86/53/06/476865306.db2.gz JRTADAZYAWAOQJ-SJLPKXTDSA-N 1 3 329.488 2.532 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398102371 476868728 /nfs/dbraw/zinc/86/87/28/476868728.db2.gz ZQEUSGZESRZMCN-RYQLBKOJSA-N 1 3 331.504 2.790 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)NCc1ccccc1Cl ZINC000430580229 476869005 /nfs/dbraw/zinc/86/90/05/476869005.db2.gz RMPCDJUJVKWFHT-MRXNPFEDSA-N 1 3 325.884 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)CN1Cc1ccccc1 ZINC000398192233 476870513 /nfs/dbraw/zinc/87/05/13/476870513.db2.gz ZVQRWQNEMDDKOI-BPQIPLTHSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175583 476871638 /nfs/dbraw/zinc/87/16/38/476871638.db2.gz TYXHENAYPNCCQX-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175583 476871642 /nfs/dbraw/zinc/87/16/42/476871642.db2.gz TYXHENAYPNCCQX-IAGOWNOFSA-N 1 3 333.520 2.584 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)cn1 ZINC000414084505 476871736 /nfs/dbraw/zinc/87/17/36/476871736.db2.gz XTTBPFQRAWMMMZ-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422971301 476872928 /nfs/dbraw/zinc/87/29/28/476872928.db2.gz YCLGECPTAGJJDQ-OXJNMPFZSA-N 1 3 332.488 2.860 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000422973100 476873482 /nfs/dbraw/zinc/87/34/82/476873482.db2.gz BGMKIPNJGXBNHI-YOEHRIQHSA-N 1 3 338.455 2.584 20 0 EFADHO CC[NH2+]CC1CCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 ZINC000430594300 476874892 /nfs/dbraw/zinc/87/48/92/476874892.db2.gz VFYHAAXIIXAAMA-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414197802 476876081 /nfs/dbraw/zinc/87/60/81/476876081.db2.gz PZYVJNCTOSLXBF-HXUWFJFHSA-N 1 3 345.531 2.914 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCCO[C@@H]1CCCc2ccccc21 ZINC000422980144 476877594 /nfs/dbraw/zinc/87/75/94/476877594.db2.gz LBLDXXXVFZOVHH-KCUHQSDYSA-N 1 3 332.488 2.813 20 0 EFADHO CC[C@@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422983288 476878196 /nfs/dbraw/zinc/87/81/96/476878196.db2.gz SPRUGGPCYIBOEK-UXHICEINSA-N 1 3 331.504 2.833 20 0 EFADHO OCC1CCN(Cc2cccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000422983888 476878426 /nfs/dbraw/zinc/87/84/26/476878426.db2.gz VOUOSPZNGRKAPQ-YOFSQIOKSA-N 1 3 329.488 2.586 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986073 476879356 /nfs/dbraw/zinc/87/93/56/476879356.db2.gz BHOYPNRWUHIFHV-KMFMINBZSA-N 1 3 344.421 2.964 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1C(F)(F)F ZINC000422987040 476879467 /nfs/dbraw/zinc/87/94/67/476879467.db2.gz DYLNRPMFNUQRSK-SLHHOWHOSA-N 1 3 342.405 2.729 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988212 476879595 /nfs/dbraw/zinc/87/95/95/476879595.db2.gz IPOJHJUTVALPBL-JKIFEVAISA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988212 476879601 /nfs/dbraw/zinc/87/96/01/476879601.db2.gz IPOJHJUTVALPBL-JKIFEVAISA-N 1 3 344.421 2.834 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399537450 476883359 /nfs/dbraw/zinc/88/33/59/476883359.db2.gz VDMAVGDSGWSLSX-APWZRJJASA-N 1 3 331.504 2.729 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000422999187 476884789 /nfs/dbraw/zinc/88/47/89/476884789.db2.gz DWPWGFXXUMSZRK-APHBMKBZSA-N 1 3 346.393 2.607 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000446562052 476885760 /nfs/dbraw/zinc/88/57/60/476885760.db2.gz ACEVXUXQLBUCGA-UHFFFAOYSA-N 1 3 344.503 2.883 20 0 EFADHO CCC[NH+]1CCC(NC(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000446574379 476887763 /nfs/dbraw/zinc/88/77/63/476887763.db2.gz TYEUMQLYADDFEJ-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414778553 476891760 /nfs/dbraw/zinc/89/17/60/476891760.db2.gz JBLFHSRUSCJNDL-GOSISDBHSA-N 1 3 340.471 2.572 20 0 EFADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000423017556 476892408 /nfs/dbraw/zinc/89/24/08/476892408.db2.gz WNLMVZIRZSOKCX-QFHJOOASSA-N 1 3 347.478 2.541 20 0 EFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423016603 476892584 /nfs/dbraw/zinc/89/25/84/476892584.db2.gz UDMJTRJHZFVDQR-MVJPYGJCSA-N 1 3 332.488 2.621 20 0 EFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423016605 476893030 /nfs/dbraw/zinc/89/30/30/476893030.db2.gz UDMJTRJHZFVDQR-YGWPLHOASA-N 1 3 332.488 2.621 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635361 476894145 /nfs/dbraw/zinc/89/41/45/476894145.db2.gz MPVQKRRPFQDFBF-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635361 476894152 /nfs/dbraw/zinc/89/41/52/476894152.db2.gz MPVQKRRPFQDFBF-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635361 476894157 /nfs/dbraw/zinc/89/41/57/476894157.db2.gz MPVQKRRPFQDFBF-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1 ZINC000414945971 476894755 /nfs/dbraw/zinc/89/47/55/476894755.db2.gz JACUEWVMQIFMRO-HIFRSBDPSA-N 1 3 335.879 2.675 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423021246 476894867 /nfs/dbraw/zinc/89/48/67/476894867.db2.gz DVOOXGZLJUKGNP-CHWSQXEVSA-N 1 3 340.414 2.937 20 0 EFADHO CN(C)C1(CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCC1 ZINC000446619066 476895841 /nfs/dbraw/zinc/89/58/41/476895841.db2.gz ZQYXOPCCLCPDPJ-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028858 476896211 /nfs/dbraw/zinc/89/62/11/476896211.db2.gz HFEQBBCLIOLUGL-HOCLYGCPSA-N 1 3 332.423 2.915 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCNCC3)C[C@@H]2C1 ZINC000401139114 476896846 /nfs/dbraw/zinc/89/68/46/476896846.db2.gz XIXXSYZAEISDNV-YVSFHVDLSA-N 1 3 337.508 2.754 20 0 EFADHO CC(C)(C)NCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401099191 476897295 /nfs/dbraw/zinc/89/72/95/476897295.db2.gz FPPUXGXSFWSYCH-OWCLPIDISA-N 1 3 339.524 3.000 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446620900 476898218 /nfs/dbraw/zinc/89/82/18/476898218.db2.gz TWASEXDZHYCQCX-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000446620900 476898221 /nfs/dbraw/zinc/89/82/21/476898221.db2.gz TWASEXDZHYCQCX-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CCCN1 ZINC000414953811 476899815 /nfs/dbraw/zinc/89/98/15/476899815.db2.gz KCTZCUKYXSLKFZ-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423038936 476900497 /nfs/dbraw/zinc/90/04/97/476900497.db2.gz DORSPKROTUZION-NHYWBVRUSA-N 1 3 327.831 2.692 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414952467 476900838 /nfs/dbraw/zinc/90/08/38/476900838.db2.gz QUHYHYAXGKPXKG-SGMGOOAPSA-N 1 3 339.867 2.796 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000414952467 476900841 /nfs/dbraw/zinc/90/08/41/476900841.db2.gz QUHYHYAXGKPXKG-SGMGOOAPSA-N 1 3 339.867 2.796 20 0 EFADHO COC[C@@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CCCN1 ZINC000414962518 476904500 /nfs/dbraw/zinc/90/45/00/476904500.db2.gz WHAJINOJTCGTRW-BBRMVZONSA-N 1 3 341.293 2.738 20 0 EFADHO CCCn1c(CNCC2(COC)CC[NH2+]CC2)nc2ccccc21 ZINC000414964850 476904948 /nfs/dbraw/zinc/90/49/48/476904948.db2.gz YPZOINUZAFDKOD-UHFFFAOYSA-N 1 3 330.476 2.552 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890563 476906085 /nfs/dbraw/zinc/90/60/85/476906085.db2.gz SEJQIIGIQUCOBE-RTBURBONSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890563 476906093 /nfs/dbraw/zinc/90/60/93/476906093.db2.gz SEJQIIGIQUCOBE-RTBURBONSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890563 476906098 /nfs/dbraw/zinc/90/60/98/476906098.db2.gz SEJQIIGIQUCOBE-RTBURBONSA-N 1 3 345.487 2.717 20 0 EFADHO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370634355 476906816 /nfs/dbraw/zinc/90/68/16/476906816.db2.gz LEHKGJIBOQKFNZ-WMZOPIPTSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054607 476908153 /nfs/dbraw/zinc/90/81/53/476908153.db2.gz VBQYDDRQMRCFAF-SGMGOOAPSA-N 1 3 343.393 2.522 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000423065086 476911892 /nfs/dbraw/zinc/91/18/92/476911892.db2.gz SRVTZFGKTHUWLB-GFCCVEGCSA-N 1 3 344.425 2.774 20 0 EFADHO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000430760086 476913880 /nfs/dbraw/zinc/91/38/80/476913880.db2.gz IABSJPWZSAGDHT-PMACEKPBSA-N 1 3 343.515 2.849 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@@H]3C[NH3+])c2)n1 ZINC000423069258 476915320 /nfs/dbraw/zinc/91/53/20/476915320.db2.gz DKQKBPRLPLPXDZ-HUUCEWRRSA-N 1 3 345.468 2.814 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000366234082 476917211 /nfs/dbraw/zinc/91/72/11/476917211.db2.gz IDIMXNGXTCHEMA-YSSFQJQWSA-N 1 3 340.471 2.695 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000366234082 476917219 /nfs/dbraw/zinc/91/72/19/476917219.db2.gz IDIMXNGXTCHEMA-YSSFQJQWSA-N 1 3 340.471 2.695 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080302 476921081 /nfs/dbraw/zinc/92/10/81/476921081.db2.gz ZLXLVYYTHYYPDC-XFWGSAIBSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000423080302 476921083 /nfs/dbraw/zinc/92/10/83/476921083.db2.gz ZLXLVYYTHYYPDC-XFWGSAIBSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(OCCN(C)C)cc1 ZINC000370661434 476921306 /nfs/dbraw/zinc/92/13/06/476921306.db2.gz FZFYGEDCZGRSTO-PBHICJAKSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423083896 476922587 /nfs/dbraw/zinc/92/25/87/476922587.db2.gz ZKHNCFUAXBIJMX-TZMCWYRMSA-N 1 3 331.382 2.847 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCCOc1ccc(C(F)(F)F)cn1 ZINC000423083896 476922595 /nfs/dbraw/zinc/92/25/95/476922595.db2.gz ZKHNCFUAXBIJMX-TZMCWYRMSA-N 1 3 331.382 2.847 20 0 EFADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]CCCN1CCCN(C)CC1 ZINC000446820131 476923138 /nfs/dbraw/zinc/92/31/38/476923138.db2.gz YNYHLWIOLFTAQY-OAQYLSRUSA-N 1 3 347.547 2.845 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091946 476924374 /nfs/dbraw/zinc/92/43/74/476924374.db2.gz ZSSROGBMAXLHTD-DUVNUKRYSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091946 476924378 /nfs/dbraw/zinc/92/43/78/476924378.db2.gz ZSSROGBMAXLHTD-DUVNUKRYSA-N 1 3 338.293 2.745 20 0 EFADHO Fc1cc(F)cc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423092243 476925222 /nfs/dbraw/zinc/92/52/22/476925222.db2.gz BBNCUYWDMXXMQZ-QSGLGXSPSA-N 1 3 336.426 2.958 20 0 EFADHO C(CN1CCC2(CCCCC2)CC1)N[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423096126 476926018 /nfs/dbraw/zinc/92/60/18/476926018.db2.gz GXHGTCWVYLWSMG-VAMGGRTRSA-N 1 3 349.563 2.779 20 0 EFADHO Cc1cc(CN[C@H]2CCC[C@H]2C[NH3+])ccc1I ZINC000423092630 476926157 /nfs/dbraw/zinc/92/61/57/476926157.db2.gz CTGSGMAHTMFFKQ-JSGCOSHPSA-N 1 3 344.240 2.817 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260091 476928649 /nfs/dbraw/zinc/92/86/49/476928649.db2.gz PWSVYGBFJZWLRY-YTQUADARSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260091 476928651 /nfs/dbraw/zinc/92/86/51/476928651.db2.gz PWSVYGBFJZWLRY-YTQUADARSA-N 1 3 331.504 2.904 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304255 476931353 /nfs/dbraw/zinc/93/13/53/476931353.db2.gz CIFIBAWYEYBYEM-SXLOBPIMSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC1CCN(c2nccs2)CC1 ZINC000423114504 476932111 /nfs/dbraw/zinc/93/21/11/476932111.db2.gz ZHTNFQQFOLGJDL-YOEHRIQHSA-N 1 3 330.501 2.660 20 0 EFADHO COc1ccc(CN2CCC3(CC[NH2+]C3)CC2)cc1OC(F)F ZINC000430907069 476932435 /nfs/dbraw/zinc/93/24/35/476932435.db2.gz POUJLYZRJIPESL-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N(CC)CC)cc1 ZINC000423122256 476935798 /nfs/dbraw/zinc/93/57/98/476935798.db2.gz BYQCJVMSDOCDFR-OTNPHJDUSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000423122923 476936245 /nfs/dbraw/zinc/93/62/45/476936245.db2.gz LPZZSJBBENZKGD-KPOBHBOGSA-N 1 3 325.456 2.666 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](Cc1ccccc1)C(F)(F)F ZINC000423127432 476936941 /nfs/dbraw/zinc/93/69/41/476936941.db2.gz TVBHQNVGLUUGCK-QCEMKRCNSA-N 1 3 330.394 2.750 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000430926385 476937448 /nfs/dbraw/zinc/93/74/48/476937448.db2.gz ODMFUOFETQUUET-GQYGNMKRSA-N 1 3 333.520 2.519 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130304 476938683 /nfs/dbraw/zinc/93/86/83/476938683.db2.gz GPFBNMDEDUMSHA-QHAWAJNXSA-N 1 3 343.515 2.924 20 0 EFADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@H]2C)c(Cl)c1OC ZINC000423128439 476939381 /nfs/dbraw/zinc/93/93/81/476939381.db2.gz CXMWHUJYHSMECP-TZMCWYRMSA-N 1 3 326.868 2.877 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@H]2C)c(Cl)c1OC ZINC000423128439 476939386 /nfs/dbraw/zinc/93/93/86/476939386.db2.gz CXMWHUJYHSMECP-TZMCWYRMSA-N 1 3 326.868 2.877 20 0 EFADHO C[NH2+]CC1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000430936829 476942584 /nfs/dbraw/zinc/94/25/84/476942584.db2.gz XFGMCTIIPWAHAZ-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000447044734 476944462 /nfs/dbraw/zinc/94/44/62/476944462.db2.gz OLEIOMOBYBHBSU-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO CCOC(=O)C1(C(=O)c2ccccc2)CCN([C@H](C)CCC[NH3+])CC1 ZINC000423157017 476946997 /nfs/dbraw/zinc/94/69/97/476946997.db2.gz MAKYWNOURFPAOB-MRXNPFEDSA-N 1 3 346.471 2.642 20 0 EFADHO Cc1ccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1C ZINC000423157116 476949486 /nfs/dbraw/zinc/94/94/86/476949486.db2.gz AJLXPOJWRWIWPY-DUXKGJEZSA-N 1 3 326.484 2.755 20 0 EFADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423164921 476951140 /nfs/dbraw/zinc/95/11/40/476951140.db2.gz UAJDPHRXZPFOEO-FLFBIERCSA-N 1 3 330.472 2.688 20 0 EFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423168317 476952142 /nfs/dbraw/zinc/95/21/42/476952142.db2.gz UHIDJSTUHZSKKU-ZQEOTTOMSA-N 1 3 336.451 2.512 20 0 EFADHO [NH3+]C[C@@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430964707 476952559 /nfs/dbraw/zinc/95/25/59/476952559.db2.gz IUYMPQUPQZBBEK-KRWDZBQOSA-N 1 3 337.467 2.563 20 0 EFADHO C[NH2+]CC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000430965012 476952716 /nfs/dbraw/zinc/95/27/16/476952716.db2.gz HHAAAQBWNOKDRL-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO Clc1cc2c(c(Cl)c1)[C@@H](NCCCN1CC[NH2+]CC1)CC2 ZINC000423175877 476953855 /nfs/dbraw/zinc/95/38/55/476953855.db2.gz FJSMWHCWXNUISC-HNNXBMFYSA-N 1 3 328.287 2.866 20 0 EFADHO Cc1cc(Cl)c2c(c1)[C@@H](NCCCN1CC[NH2+]CC1)CCCO2 ZINC000423183172 476955319 /nfs/dbraw/zinc/95/53/19/476955319.db2.gz RLULUKBTFGDEOE-KRWDZBQOSA-N 1 3 337.895 2.747 20 0 EFADHO CC[C@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423185253 476957183 /nfs/dbraw/zinc/95/71/83/476957183.db2.gz UWEWMJRBKOUHRL-HNNXBMFYSA-N 1 3 327.419 2.624 20 0 EFADHO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423187574 476958638 /nfs/dbraw/zinc/95/86/38/476958638.db2.gz YFVSAAZUJZLUPI-GOSISDBHSA-N 1 3 343.475 2.669 20 0 EFADHO CCN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000431014167 476960785 /nfs/dbraw/zinc/96/07/85/476960785.db2.gz LUPSBNQKCVBEGJ-INIZCTEOSA-N 1 3 347.478 2.811 20 0 EFADHO Clc1ccc2c(c1Cl)OCCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423199066 476961942 /nfs/dbraw/zinc/96/19/42/476961942.db2.gz AOAPMMYIOTXQSH-CQSZACIVSA-N 1 3 344.286 2.702 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431024829 476963547 /nfs/dbraw/zinc/96/35/47/476963547.db2.gz QDYXZVZVIXZNTN-UHFFFAOYSA-N 1 3 329.488 2.648 20 0 EFADHO CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431038787 476965373 /nfs/dbraw/zinc/96/53/73/476965373.db2.gz FCCAWBKWAWMHSZ-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000447304695 476974123 /nfs/dbraw/zinc/97/41/23/476974123.db2.gz MLCWPHDPJNYSSL-IRXDYDNUSA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000447304695 476974132 /nfs/dbraw/zinc/97/41/32/476974132.db2.gz MLCWPHDPJNYSSL-IRXDYDNUSA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)nc1 ZINC000447304695 476974138 /nfs/dbraw/zinc/97/41/38/476974138.db2.gz MLCWPHDPJNYSSL-IRXDYDNUSA-N 1 3 344.503 2.961 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000370768111 476976892 /nfs/dbraw/zinc/97/68/92/476976892.db2.gz YCWVXEBDLKWKJS-RAFMOHDBSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415997636 476984143 /nfs/dbraw/zinc/98/41/43/476984143.db2.gz QCELTMAARDWTSE-UHFFFAOYSA-N 1 3 330.476 2.876 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000423296838 476984443 /nfs/dbraw/zinc/98/44/43/476984443.db2.gz HQMQWXUDUYAHDG-MNEFBYGVSA-N 1 3 347.503 2.568 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+](C2CCC2)C1 ZINC000416002915 476988060 /nfs/dbraw/zinc/98/80/60/476988060.db2.gz DRXPHDHPSAYZLV-AWEZNQCLSA-N 1 3 328.460 2.628 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+](C2CCC2)C1 ZINC000416002915 476988062 /nfs/dbraw/zinc/98/80/62/476988062.db2.gz DRXPHDHPSAYZLV-AWEZNQCLSA-N 1 3 328.460 2.628 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000423311833 476990151 /nfs/dbraw/zinc/99/01/51/476990151.db2.gz UKRKBTKRNGDWCB-HOCLYGCPSA-N 1 3 335.517 2.779 20 0 EFADHO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000423314948 476990885 /nfs/dbraw/zinc/99/08/85/476990885.db2.gz IFNQOFGALUPNJN-GOSISDBHSA-N 1 3 329.488 2.799 20 0 EFADHO CC(C)(C(=O)N1CCC([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000423314949 476990979 /nfs/dbraw/zinc/99/09/79/476990979.db2.gz IFNQOFGALUPNJN-SFHVURJKSA-N 1 3 329.488 2.799 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423318695 476991547 /nfs/dbraw/zinc/99/15/47/476991547.db2.gz ZEZICIFFHLJUJD-SFHVURJKSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423329463 476995236 /nfs/dbraw/zinc/99/52/36/476995236.db2.gz SVHIOBOGCVTVCE-UGSOOPFHSA-N 1 3 336.501 2.791 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423328538 476995439 /nfs/dbraw/zinc/99/54/39/476995439.db2.gz KTGDFTGMOHVOQJ-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000423328538 476995446 /nfs/dbraw/zinc/99/54/46/476995446.db2.gz KTGDFTGMOHVOQJ-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000423333746 476997420 /nfs/dbraw/zinc/99/74/20/476997420.db2.gz OKMYBNREVCUADL-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000423333746 476997424 /nfs/dbraw/zinc/99/74/24/476997424.db2.gz OKMYBNREVCUADL-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO CCN(C(=O)CC1(C[NH3+])CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423351051 477002966 /nfs/dbraw/zinc/00/29/66/477002966.db2.gz HJAUBRJOONKOST-WMZOPIPTSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(I)cc1 ZINC000423349241 477003141 /nfs/dbraw/zinc/00/31/41/477003141.db2.gz WFBMLHPPPBAKCI-LLVKDONJSA-N 1 3 342.224 2.862 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423359306 477005374 /nfs/dbraw/zinc/00/53/74/477005374.db2.gz OTXKCBLWSVNHFX-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423359306 477005378 /nfs/dbraw/zinc/00/53/78/477005378.db2.gz OTXKCBLWSVNHFX-SQNIBIBYSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)C3CCC3)c2)CC1 ZINC000423367042 477007161 /nfs/dbraw/zinc/00/71/61/477007161.db2.gz YHFMVSDROWISAK-LJQANCHMSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000423373489 477009146 /nfs/dbraw/zinc/00/91/46/477009146.db2.gz HPGYZHGDYYXNPW-QAPCUYQASA-N 1 3 347.528 2.605 20 0 EFADHO CC[NH2+][C@H](C)CN[C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423377267 477009945 /nfs/dbraw/zinc/00/99/45/477009945.db2.gz KETBWILNSGAXAY-PMPSAXMXSA-N 1 3 343.471 2.572 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCSc2ccccc21)N1CC[NH2+]CC1 ZINC000423380096 477009969 /nfs/dbraw/zinc/00/99/69/477009969.db2.gz GWYPFKKBBJPWND-UKRRQHHQSA-N 1 3 345.434 2.649 20 0 EFADHO Cc1cc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1F ZINC000423375204 477010248 /nfs/dbraw/zinc/01/02/48/477010248.db2.gz CYPUBMYYDCRLPQ-ZFWWWQNUSA-N 1 3 347.400 2.929 20 0 EFADHO N[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCC1 ZINC000423376006 477010523 /nfs/dbraw/zinc/01/05/23/477010523.db2.gz IZFVWLRZCDTMCD-LJQANCHMSA-N 1 3 329.488 2.806 20 0 EFADHO N[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CCC1 ZINC000423376003 477010652 /nfs/dbraw/zinc/01/06/52/477010652.db2.gz IZFVWLRZCDTMCD-IBGZPJMESA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423375780 477011119 /nfs/dbraw/zinc/01/11/19/477011119.db2.gz XXRYRKXDIZFICH-NXHRZFHOSA-N 1 3 329.488 2.716 20 0 EFADHO [NH3+][C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)C1CCC1 ZINC000423385206 477011595 /nfs/dbraw/zinc/01/15/95/477011595.db2.gz KIJAFUKJHFWXIG-SFHVURJKSA-N 1 3 349.906 2.796 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423385289 477011691 /nfs/dbraw/zinc/01/16/91/477011691.db2.gz KKROAOVBFWYCIM-CABCVRRESA-N 1 3 347.812 2.753 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383909 477012543 /nfs/dbraw/zinc/01/25/43/477012543.db2.gz JQLWDJLCMABLTO-BMFZPTHFSA-N 1 3 341.421 2.969 20 0 EFADHO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1(O)CCN(C)CC1 ZINC000431344179 477013882 /nfs/dbraw/zinc/01/38/82/477013882.db2.gz LDFRBXLZAAXKLL-INIZCTEOSA-N 1 3 338.879 2.908 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423394719 477015074 /nfs/dbraw/zinc/01/50/74/477015074.db2.gz ZZIMHGRPUXNKRX-SJLPKXTDSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H](N)c1ccccc1 ZINC000423394719 477015080 /nfs/dbraw/zinc/01/50/80/477015080.db2.gz ZZIMHGRPUXNKRX-SJLPKXTDSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423392556 477015175 /nfs/dbraw/zinc/01/51/75/477015175.db2.gz OKPAPIQVFZDVGJ-LZQZEXGQSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000423392556 477015179 /nfs/dbraw/zinc/01/51/79/477015179.db2.gz OKPAPIQVFZDVGJ-LZQZEXGQSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423395140 477015651 /nfs/dbraw/zinc/01/56/51/477015651.db2.gz RSPQGAFDULJXEI-UAGQMJEPSA-N 1 3 328.460 2.920 20 0 EFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423394266 477016420 /nfs/dbraw/zinc/01/64/20/477016420.db2.gz RXFITPOYFDYZLW-FZMZJTMJSA-N 1 3 335.801 2.827 20 0 EFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C)c1 ZINC000423399834 477017893 /nfs/dbraw/zinc/01/78/93/477017893.db2.gz UREIUGYLRNJWMS-CVEARBPZSA-N 1 3 329.410 2.872 20 0 EFADHO CSCC[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447583932 477018647 /nfs/dbraw/zinc/01/86/47/477018647.db2.gz DHUFNPPYBPVBDE-OKYOBFRVSA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@@H](CO)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447583932 477018650 /nfs/dbraw/zinc/01/86/50/477018650.db2.gz DHUFNPPYBPVBDE-OKYOBFRVSA-N 1 3 334.529 2.886 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](C)C2 ZINC000423402085 477019313 /nfs/dbraw/zinc/01/93/13/477019313.db2.gz YFKSIZLXDVHZGH-IAOVAPTHSA-N 1 3 341.421 2.654 20 0 EFADHO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCOCCN(C)C ZINC000447604138 477021401 /nfs/dbraw/zinc/02/14/01/477021401.db2.gz YUBGWGLLMCQRAX-GFCCVEGCSA-N 1 3 347.272 2.687 20 0 EFADHO FC(F)(F)CCN1CCC([NH2+]Cc2ccc3c(c2)CNC3)CC1 ZINC000423406065 477021829 /nfs/dbraw/zinc/02/18/29/477021829.db2.gz YIXVWQKMUGHEMN-UHFFFAOYSA-N 1 3 327.394 2.796 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccccc1 ZINC000457445152 477022544 /nfs/dbraw/zinc/02/25/44/477022544.db2.gz CJLLBMZHTFBESL-QGZVFWFLSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000423419845 477028916 /nfs/dbraw/zinc/02/89/16/477028916.db2.gz IZTWIURUXXDZJP-YOEHRIQHSA-N 1 3 328.460 2.530 20 0 EFADHO CC[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000423440719 477034766 /nfs/dbraw/zinc/03/47/66/477034766.db2.gz AWWPKLBMYRYXAK-SMDDNHRTSA-N 1 3 346.256 2.939 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366502034 477042975 /nfs/dbraw/zinc/04/29/75/477042975.db2.gz WIMMRVJIULACPD-JJXSEGSLSA-N 1 3 341.471 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366502034 477042979 /nfs/dbraw/zinc/04/29/79/477042979.db2.gz WIMMRVJIULACPD-JJXSEGSLSA-N 1 3 341.471 2.550 20 0 EFADHO NC1(C[NH2+]C2CCN(c3ccccn3)CC2)C2CC3CC(C2)CC1C3 ZINC000423522832 477060051 /nfs/dbraw/zinc/06/00/51/477060051.db2.gz HRUDJNGPZIBMFL-UHFFFAOYSA-N 1 3 340.515 2.794 20 0 EFADHO [NH3+]C1(CNC2CCN(c3ccccn3)CC2)C2CC3CC(C2)CC1C3 ZINC000423522832 477060059 /nfs/dbraw/zinc/06/00/59/477060059.db2.gz HRUDJNGPZIBMFL-UHFFFAOYSA-N 1 3 340.515 2.794 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3)CC[C@H]21 ZINC000366544778 477060891 /nfs/dbraw/zinc/06/08/91/477060891.db2.gz NQWJBBUYXJIDQU-DLBZAZTESA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3)CC[C@H]21 ZINC000366544778 477060897 /nfs/dbraw/zinc/06/08/97/477060897.db2.gz NQWJBBUYXJIDQU-DLBZAZTESA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@H+](CCCN3CCCC3)CC[C@@H]21 ZINC000366544780 477061043 /nfs/dbraw/zinc/06/10/43/477061043.db2.gz NQWJBBUYXJIDQU-IRXDYDNUSA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCCN3CCCC3)CC[C@@H]21 ZINC000366544780 477061049 /nfs/dbraw/zinc/06/10/49/477061049.db2.gz NQWJBBUYXJIDQU-IRXDYDNUSA-N 1 3 337.508 2.804 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cccc(F)c2)cn1 ZINC000423541724 477069005 /nfs/dbraw/zinc/06/90/05/477069005.db2.gz LOGZKMLTKBQMBP-OHDICMOHSA-N 1 3 328.435 2.626 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000431666271 477070512 /nfs/dbraw/zinc/07/05/12/477070512.db2.gz SHZNQLHECYEJHP-XDNAFOTISA-N 1 3 338.540 2.669 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416225134 477078456 /nfs/dbraw/zinc/07/84/56/477078456.db2.gz RSXGGCVPZGPRRZ-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1 ZINC000416238237 477085534 /nfs/dbraw/zinc/08/55/34/477085534.db2.gz HMJPVZGBAWNZSG-ONCXSQPRSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCN1CCc2ccccc2C1 ZINC000416246200 477091294 /nfs/dbraw/zinc/09/12/94/477091294.db2.gz UPABZYUVUMFZEK-XLIONFOSSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCN1CCc2ccccc2C1 ZINC000416246196 477091896 /nfs/dbraw/zinc/09/18/96/477091896.db2.gz UPABZYUVUMFZEK-FXAWDEMLSA-N 1 3 341.499 2.520 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000447947102 477098696 /nfs/dbraw/zinc/09/86/96/477098696.db2.gz APRMARSBLJBBGS-HZPDHXFCSA-N 1 3 340.556 2.772 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447957201 477102295 /nfs/dbraw/zinc/10/22/95/477102295.db2.gz YRLVGTUKHWXQRS-IKGGRYGDSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447957201 477102303 /nfs/dbraw/zinc/10/23/03/477102303.db2.gz YRLVGTUKHWXQRS-IKGGRYGDSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000447977970 477107662 /nfs/dbraw/zinc/10/76/62/477107662.db2.gz OZHWXLALXXQPNV-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000447977970 477107667 /nfs/dbraw/zinc/10/76/67/477107667.db2.gz OZHWXLALXXQPNV-ZACQAIPSSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448042959 477120335 /nfs/dbraw/zinc/12/03/35/477120335.db2.gz LRGGFEIVAMAAQD-DLBZAZTESA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2N(C)CCCC2(C)C)C1 ZINC000448042959 477120341 /nfs/dbraw/zinc/12/03/41/477120341.db2.gz LRGGFEIVAMAAQD-DLBZAZTESA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H](N)c1ccccc1 ZINC000423723154 477123250 /nfs/dbraw/zinc/12/32/50/477123250.db2.gz GXMPYHBORQCZGD-HNAYVOBHSA-N 1 3 325.456 2.701 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000423739331 477129124 /nfs/dbraw/zinc/12/91/24/477129124.db2.gz VWNUGZSDNLNSQJ-INIZCTEOSA-N 1 3 325.456 2.910 20 0 EFADHO C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423745716 477130032 /nfs/dbraw/zinc/13/00/32/477130032.db2.gz MTAHZHGOLCNAKV-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1CC[NH2+][C@@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423745708 477130776 /nfs/dbraw/zinc/13/07/76/477130776.db2.gz MTAHZHGOLCNAKV-AZUAARDMSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757941 477134406 /nfs/dbraw/zinc/13/44/06/477134406.db2.gz NDLZTXBKKTVUHX-GJZGRUSLSA-N 1 3 337.895 2.748 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423769900 477137840 /nfs/dbraw/zinc/13/78/40/477137840.db2.gz COLSAYQPLQXWAD-RBUKOAKNSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCCC1 ZINC000448162549 477140450 /nfs/dbraw/zinc/14/04/50/477140450.db2.gz ZKRLFFJYBZMEBX-SJORKVTESA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H]1C ZINC000448255733 477151272 /nfs/dbraw/zinc/15/12/72/477151272.db2.gz LGTFHKPKXRXWPQ-ULQDDVLXSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@@H]1C ZINC000448255733 477151280 /nfs/dbraw/zinc/15/12/80/477151280.db2.gz LGTFHKPKXRXWPQ-ULQDDVLXSA-N 1 3 338.540 2.621 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cccnc1 ZINC000371159493 477157501 /nfs/dbraw/zinc/15/75/01/477157501.db2.gz DAUVDZSXMGCETO-UHFFFAOYSA-N 1 3 330.520 2.710 20 0 EFADHO COCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453067583 477158644 /nfs/dbraw/zinc/15/86/44/477158644.db2.gz JYJJYJBHLVPAOV-ZCNNSNEGSA-N 1 3 332.488 2.682 20 0 EFADHO COCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453067583 477158646 /nfs/dbraw/zinc/15/86/46/477158646.db2.gz JYJJYJBHLVPAOV-ZCNNSNEGSA-N 1 3 332.488 2.682 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411227377 477159857 /nfs/dbraw/zinc/15/98/57/477159857.db2.gz MTTUYRRPJZLTME-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN2CCCCC2)c1 ZINC000411227377 477159865 /nfs/dbraw/zinc/15/98/65/477159865.db2.gz MTTUYRRPJZLTME-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453071206 477160806 /nfs/dbraw/zinc/16/08/06/477160806.db2.gz DEMVEKYOHFYCIU-XUVXKRRUSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453071206 477160811 /nfs/dbraw/zinc/16/08/11/477160811.db2.gz DEMVEKYOHFYCIU-XUVXKRRUSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743348 477163099 /nfs/dbraw/zinc/16/30/99/477163099.db2.gz FNKJUKNUFMCAGV-MSOLQXFVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743348 477163105 /nfs/dbraw/zinc/16/31/05/477163105.db2.gz FNKJUKNUFMCAGV-MSOLQXFVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C[C@@H](C)O1 ZINC000376077967 477165032 /nfs/dbraw/zinc/16/50/32/477165032.db2.gz BYAILNVTQDUSFY-NCXUSEDFSA-N 1 3 348.535 2.925 20 0 EFADHO CN1CCC[N@H+](CCCN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453103386 477169562 /nfs/dbraw/zinc/16/95/62/477169562.db2.gz RPXFRARZNFFMBD-HNNXBMFYSA-N 1 3 341.421 2.708 20 0 EFADHO CN1CCC[N@@H+](CCCN[C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000453103386 477169573 /nfs/dbraw/zinc/16/95/73/477169573.db2.gz RPXFRARZNFFMBD-HNNXBMFYSA-N 1 3 341.421 2.708 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000453103520 477170321 /nfs/dbraw/zinc/17/03/21/477170321.db2.gz WQWMTJSWQCVDNE-VVLHAWIVSA-N 1 3 342.405 2.942 20 0 EFADHO CN1CCCN(CCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000453103377 477170547 /nfs/dbraw/zinc/17/05/47/477170547.db2.gz RPTUSFFWOMOTQW-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CC3CC[NH2+]CC3)c2)CC1 ZINC000423832810 477174715 /nfs/dbraw/zinc/17/47/15/477174715.db2.gz APGCAOBYKXBVCQ-UHFFFAOYSA-N 1 3 344.503 2.545 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000423835383 477175244 /nfs/dbraw/zinc/17/52/44/477175244.db2.gz DLGKMXMQBFIMDJ-RTBURBONSA-N 1 3 344.503 2.544 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000423856242 477187086 /nfs/dbraw/zinc/18/70/86/477187086.db2.gz ZILUYPODQSIUPN-HNAYVOBHSA-N 1 3 343.446 2.505 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000453197050 477187593 /nfs/dbraw/zinc/18/75/93/477187593.db2.gz MVFAQCZKGOMHCE-VQTJNVASSA-N 1 3 325.456 2.889 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccncc1 ZINC000453197050 477187603 /nfs/dbraw/zinc/18/76/03/477187603.db2.gz MVFAQCZKGOMHCE-VQTJNVASSA-N 1 3 325.456 2.889 20 0 EFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@H](N2CCOCC2)C1 ZINC000411309312 477190350 /nfs/dbraw/zinc/19/03/50/477190350.db2.gz JSZDAHVUDBHHRX-NRFANRHFSA-N 1 3 343.515 2.579 20 0 EFADHO c1cc(CN2CC[C@H](N3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411309647 477191709 /nfs/dbraw/zinc/19/17/09/477191709.db2.gz KGAIYICZTCRHEJ-NRFANRHFSA-N 1 3 343.515 2.579 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411309779 477192189 /nfs/dbraw/zinc/19/21/89/477192189.db2.gz MTCHXJCKTPTQBX-HOTGVXAUSA-N 1 3 337.533 2.897 20 0 EFADHO CCC1(CNC(=O)/C=C/CN(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000366798718 477192717 /nfs/dbraw/zinc/19/27/17/477192717.db2.gz ZDRCGWGIKIAUAN-DHZHZOJOSA-N 1 3 343.515 2.913 20 0 EFADHO CN(C)CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453223008 477193396 /nfs/dbraw/zinc/19/33/96/477193396.db2.gz OTNKBAFKUKVEIA-MSOLQXFVSA-N 1 3 340.895 2.598 20 0 EFADHO CN(C)C/C=C/C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371248778 477197437 /nfs/dbraw/zinc/19/74/37/477197437.db2.gz FGCDJZNQWAWSKU-RMKNXTFCSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C/C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371248778 477197444 /nfs/dbraw/zinc/19/74/44/477197444.db2.gz FGCDJZNQWAWSKU-RMKNXTFCSA-N 1 3 341.499 2.619 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411357807 477204571 /nfs/dbraw/zinc/20/45/71/477204571.db2.gz BCRQELHBPMWWOP-HXUWFJFHSA-N 1 3 347.478 2.857 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423899425 477207585 /nfs/dbraw/zinc/20/75/85/477207585.db2.gz IZFPWQHTZTXXFM-CEXWTWQISA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423899425 477207590 /nfs/dbraw/zinc/20/75/90/477207590.db2.gz IZFPWQHTZTXXFM-CEXWTWQISA-N 1 3 343.515 2.873 20 0 EFADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906269 477210286 /nfs/dbraw/zinc/21/02/86/477210286.db2.gz PWZFKONCWXXWMI-OALUTQOASA-N 1 3 341.499 2.771 20 0 EFADHO NC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906269 477210292 /nfs/dbraw/zinc/21/02/92/477210292.db2.gz PWZFKONCWXXWMI-OALUTQOASA-N 1 3 341.499 2.771 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423909576 477211599 /nfs/dbraw/zinc/21/15/99/477211599.db2.gz UDOLFOHGWJAIPN-HSALFYBXSA-N 1 3 343.515 2.873 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423909576 477211606 /nfs/dbraw/zinc/21/16/06/477211606.db2.gz UDOLFOHGWJAIPN-HSALFYBXSA-N 1 3 343.515 2.873 20 0 EFADHO COCCN1CCC(N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453357936 477212133 /nfs/dbraw/zinc/21/21/33/477212133.db2.gz JKCGJFJKDFUECE-UHFFFAOYSA-N 1 3 339.568 2.930 20 0 EFADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427485 477213855 /nfs/dbraw/zinc/21/38/55/477213855.db2.gz YVQKJGAKCXAOAG-SJLPKXTDSA-N 1 3 348.487 2.999 20 0 EFADHO CC[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427485 477213859 /nfs/dbraw/zinc/21/38/59/477213859.db2.gz YVQKJGAKCXAOAG-SJLPKXTDSA-N 1 3 348.487 2.999 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000453374480 477216958 /nfs/dbraw/zinc/21/69/58/477216958.db2.gz ZJMQFOXONWPXQM-RZXSNQJFSA-N 1 3 338.499 2.851 20 0 EFADHO C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453393144 477221228 /nfs/dbraw/zinc/22/12/28/477221228.db2.gz IEDCHEHATNAPEX-QUCCMNQESA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453393144 477221233 /nfs/dbraw/zinc/22/12/33/477221233.db2.gz IEDCHEHATNAPEX-QUCCMNQESA-N 1 3 345.531 2.912 20 0 EFADHO Cc1cnc(CC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)cn1 ZINC000453400443 477223831 /nfs/dbraw/zinc/22/38/31/477223831.db2.gz MHEQJGOCVCJKHS-MRXNPFEDSA-N 1 3 328.460 2.619 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCCOCCc1ccccc1 ZINC000371294825 477224233 /nfs/dbraw/zinc/22/42/33/477224233.db2.gz NGCLAPVYZRHFNQ-QHAWAJNXSA-N 1 3 346.515 2.819 20 0 EFADHO C[C@H]1COCCN(Cc2ccccc2C[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000371296958 477225606 /nfs/dbraw/zinc/22/56/06/477225606.db2.gz FOBCJRQWOPRYEI-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCCN(Cc2ccccc2C[N@H+]2CCOC[C@H](C)C2)C1 ZINC000371296958 477225609 /nfs/dbraw/zinc/22/56/09/477225609.db2.gz FOBCJRQWOPRYEI-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000423945029 477228022 /nfs/dbraw/zinc/22/80/22/477228022.db2.gz AMABCESRYSDDTE-WBVHZDCISA-N 1 3 335.467 2.527 20 0 EFADHO C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000423965728 477236058 /nfs/dbraw/zinc/23/60/58/477236058.db2.gz YJLVHDMDALMZHN-OXJNMPFZSA-N 1 3 343.515 2.525 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1)C1CC1 ZINC000423970710 477239367 /nfs/dbraw/zinc/23/93/67/477239367.db2.gz XITMRINQYAXQPM-IBGZPJMESA-N 1 3 329.488 2.918 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000371373633 477274414 /nfs/dbraw/zinc/27/44/14/477274414.db2.gz AHYOXVVFSORBAB-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO CCO[C@H]1COCC[C@H]1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411560980 477276310 /nfs/dbraw/zinc/27/63/10/477276310.db2.gz QDARHTRGKPFGHK-UXHICEINSA-N 1 3 332.488 2.956 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458007887 477278336 /nfs/dbraw/zinc/27/83/36/477278336.db2.gz LUSVKXQDLSDGLX-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO C[C@H](O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000411577460 477282778 /nfs/dbraw/zinc/28/27/78/477282778.db2.gz ZGEQJWYJGIMCOY-OALUTQOASA-N 1 3 345.531 2.559 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000411608284 477292311 /nfs/dbraw/zinc/29/23/11/477292311.db2.gz KUZFCSZAIPDROT-ICSRJNTNSA-N 1 3 343.515 2.588 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC4(CCC4)CC3)CC2)CC1 ZINC000376344941 477292294 /nfs/dbraw/zinc/29/22/94/477292294.db2.gz WLJXWDVGLTUXQA-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000411610080 477293448 /nfs/dbraw/zinc/29/34/48/477293448.db2.gz MQKZRMAIWFPSRG-RTBURBONSA-N 1 3 329.488 2.513 20 0 EFADHO NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411624383 477297100 /nfs/dbraw/zinc/29/71/00/477297100.db2.gz XJJPSCHJNPBKNX-UFYCRDLUSA-N 1 3 341.499 2.758 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000458164577 477297279 /nfs/dbraw/zinc/29/72/79/477297279.db2.gz KEGAMVCNCTXHFT-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@H+]1CCC[C@H](CCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000458164577 477297287 /nfs/dbraw/zinc/29/72/87/477297287.db2.gz KEGAMVCNCTXHFT-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1C[N@H+](CCc2ccccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000367028708 477303355 /nfs/dbraw/zinc/30/33/55/477303355.db2.gz KAOWOXFPKQPTKY-APWZRJJASA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1C[N@@H+](CCc2ccccc2Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000367028708 477303362 /nfs/dbraw/zinc/30/33/62/477303362.db2.gz KAOWOXFPKQPTKY-APWZRJJASA-N 1 3 335.923 2.840 20 0 EFADHO [NH3+][C@@H](CCC(=O)NCc1ccc2c(c1)CNC2)CC1CCCCC1 ZINC000424149568 477308501 /nfs/dbraw/zinc/30/85/01/477308501.db2.gz BWVSAFWXMAYGCO-IBGZPJMESA-N 1 3 329.488 2.984 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416785557 477309765 /nfs/dbraw/zinc/30/97/65/477309765.db2.gz LCXIICHHOJUISZ-WMZOPIPTSA-N 1 3 332.492 2.640 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000433148684 477310312 /nfs/dbraw/zinc/31/03/12/477310312.db2.gz HEDMAIRAVBMNFK-PZJWPPBQSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000433148686 477311430 /nfs/dbraw/zinc/31/14/30/477311430.db2.gz HEDMAIRAVBMNFK-TZIWHRDSSA-N 1 3 343.515 2.732 20 0 EFADHO Cc1cc(NC(=O)CN2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458186951 477311401 /nfs/dbraw/zinc/31/14/01/477311401.db2.gz APOISRDTKICJOD-IYBDPMFKSA-N 1 3 333.476 2.747 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC000367044793 477314400 /nfs/dbraw/zinc/31/44/00/477314400.db2.gz XVOPFPDIZDKEDO-NRFANRHFSA-N 1 3 345.531 2.946 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC000367044793 477314402 /nfs/dbraw/zinc/31/44/02/477314402.db2.gz XVOPFPDIZDKEDO-NRFANRHFSA-N 1 3 345.531 2.946 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C2CCC3(CCCO3)CC2)ccn1 ZINC000376400179 477315558 /nfs/dbraw/zinc/31/55/58/477315558.db2.gz KEIXOWYCUWGDJW-UHFFFAOYSA-N 1 3 333.476 2.603 20 0 EFADHO C[C@H](CN1CCOCC1)N(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411680286 477324010 /nfs/dbraw/zinc/32/40/10/477324010.db2.gz DAHSZCRQDMIYRM-LJQANCHMSA-N 1 3 345.531 2.825 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458213728 477324424 /nfs/dbraw/zinc/32/44/24/477324424.db2.gz CISSEXWCTIHRET-INIZCTEOSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458213728 477324435 /nfs/dbraw/zinc/32/44/35/477324435.db2.gz CISSEXWCTIHRET-INIZCTEOSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000433554711 477324507 /nfs/dbraw/zinc/32/45/07/477324507.db2.gz QJYMMBMKQZVRIN-NUJGCVRESA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1CCCCN1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000433554711 477324512 /nfs/dbraw/zinc/32/45/12/477324512.db2.gz QJYMMBMKQZVRIN-NUJGCVRESA-N 1 3 336.524 2.565 20 0 EFADHO CC1CCN([C@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000416825304 477325081 /nfs/dbraw/zinc/32/50/81/477325081.db2.gz ASKUYQPFPGLWOD-CQSZACIVSA-N 1 3 338.521 2.558 20 0 EFADHO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411685663 477327497 /nfs/dbraw/zinc/32/74/97/477327497.db2.gz WKADXPDHXQNCGU-FQEVSTJZSA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411685663 477327505 /nfs/dbraw/zinc/32/75/05/477327505.db2.gz WKADXPDHXQNCGU-FQEVSTJZSA-N 1 3 329.488 2.631 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416834924 477329303 /nfs/dbraw/zinc/32/93/03/477329303.db2.gz DYDCQNMJMXEBQT-HKUYNNGSSA-N 1 3 346.519 2.758 20 0 EFADHO CN1CCO[C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]21 ZINC000411690698 477329588 /nfs/dbraw/zinc/32/95/88/477329588.db2.gz BJWFZLRNVPHNOL-NHCUHLMSSA-N 1 3 343.515 2.577 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000416836575 477329838 /nfs/dbraw/zinc/32/98/38/477329838.db2.gz GSJCTPKZNZZPJM-RBUKOAKNSA-N 1 3 346.519 2.683 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458275752 477330031 /nfs/dbraw/zinc/33/00/31/477330031.db2.gz CWLBOHIVQXMQCY-CYBMUJFWSA-N 1 3 339.455 2.871 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccccc1)N(CC)CC)[C@H]1CC[NH2+]C1 ZINC000416838857 477330634 /nfs/dbraw/zinc/33/06/34/477330634.db2.gz JHBMGMPLJVOICX-RBUKOAKNSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC1 ZINC000416838471 477331410 /nfs/dbraw/zinc/33/14/10/477331410.db2.gz CBBZDDYKQCTFMP-IBGZPJMESA-N 1 3 340.471 2.623 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000416841406 477331805 /nfs/dbraw/zinc/33/18/05/477331805.db2.gz LYMVEFRBPCWLOM-QFBILLFUSA-N 1 3 346.519 2.838 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000416844018 477333412 /nfs/dbraw/zinc/33/34/12/477333412.db2.gz PJDKBDPCDGXKDY-QRQLOZEOSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416842989 477333535 /nfs/dbraw/zinc/33/35/35/477333535.db2.gz OBSRALGHOZIVDZ-LSDHHAIUSA-N 1 3 338.521 2.510 20 0 EFADHO c1cn(C[C@@H]2CCCN2Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000411702241 477336311 /nfs/dbraw/zinc/33/63/11/477336311.db2.gz UDPFCVOGXCUXSF-FQEVSTJZSA-N 1 3 339.487 2.929 20 0 EFADHO c1cn(C[C@@H]2CCCN2Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000411702212 477336700 /nfs/dbraw/zinc/33/67/00/477336700.db2.gz UDCBKFGLPSDPIC-FQEVSTJZSA-N 1 3 339.487 2.929 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC([NH3+])(CC)CC)N(C)C)cc1 ZINC000416848880 477336741 /nfs/dbraw/zinc/33/67/41/477336741.db2.gz XHOLDFZNNGIUSK-KRWDZBQOSA-N 1 3 334.508 2.668 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000434675299 477336917 /nfs/dbraw/zinc/33/69/17/477336917.db2.gz KYQHRPXABIPHLE-CRAIPNDOSA-N 1 3 331.504 2.703 20 0 EFADHO Cc1ccc([C@@H](C)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424286125 477356719 /nfs/dbraw/zinc/35/67/19/477356719.db2.gz HAEHOMVGRBOFGH-QZTJIDSGSA-N 1 3 343.515 2.945 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)NC1(c3ccccc3)CCC1)CC[NH2+]CC2 ZINC000424295049 477359929 /nfs/dbraw/zinc/35/99/29/477359929.db2.gz QOBFOUKLNIUAAP-QGZVFWFLSA-N 1 3 341.499 2.646 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000411767072 477360804 /nfs/dbraw/zinc/36/08/04/477360804.db2.gz DTOLYZSYDBJDDB-HNNXBMFYSA-N 1 3 329.488 2.815 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)N1CCO ZINC000411789483 477368870 /nfs/dbraw/zinc/36/88/70/477368870.db2.gz NKPDWFUCRONMFW-KDURUIRLSA-N 1 3 345.531 2.559 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000424317097 477370531 /nfs/dbraw/zinc/37/05/31/477370531.db2.gz NWRYOJRMDKAFMB-NMLBUPMWSA-N 1 3 340.471 2.675 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000424317097 477370535 /nfs/dbraw/zinc/37/05/35/477370535.db2.gz NWRYOJRMDKAFMB-NMLBUPMWSA-N 1 3 340.471 2.675 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](C)N(C)C)CCCC1)c1ccccc1 ZINC000458363577 477371751 /nfs/dbraw/zinc/37/17/51/477371751.db2.gz DKDNBQJDISWUTC-DLBZAZTESA-N 1 3 346.519 2.899 20 0 EFADHO COC[C@@]1(CO)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411801143 477374948 /nfs/dbraw/zinc/37/49/48/477374948.db2.gz MTMSWRXOXMUIJG-FQEVSTJZSA-N 1 3 332.488 2.503 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000416939782 477379214 /nfs/dbraw/zinc/37/92/14/477379214.db2.gz NPLYLBYXBDCTHS-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO COC(=O)CC1CC([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000424358732 477380396 /nfs/dbraw/zinc/38/03/96/477380396.db2.gz XRWOWOQMOQHPQM-UHFFFAOYSA-N 1 3 346.471 2.591 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(OCc2nccn2C)cc1 ZINC000424376820 477383327 /nfs/dbraw/zinc/38/33/27/477383327.db2.gz PURQATSRFKHOEI-ZTFGCOKTSA-N 1 3 328.460 2.920 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424382449 477384560 /nfs/dbraw/zinc/38/45/60/477384560.db2.gz SHCZNEPWBJTKSI-CQSZACIVSA-N 1 3 334.460 2.676 20 0 EFADHO COc1cc(OC)c(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424387040 477385479 /nfs/dbraw/zinc/38/54/79/477385479.db2.gz XZLNHWXVVCKPMT-CQSZACIVSA-N 1 3 334.460 2.676 20 0 EFADHO CN(Cc1ccccc1F)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000367200347 477389375 /nfs/dbraw/zinc/38/93/75/477389375.db2.gz OJMRDGQYKRMJDP-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccccc1 ZINC000435903244 477390649 /nfs/dbraw/zinc/39/06/49/477390649.db2.gz QBLMSFXZBHFMTB-WSTZPKSXSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416978371 477402045 /nfs/dbraw/zinc/40/20/45/477402045.db2.gz QSAYMGNSPKXHBP-KRWDZBQOSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416978371 477402049 /nfs/dbraw/zinc/40/20/49/477402049.db2.gz QSAYMGNSPKXHBP-KRWDZBQOSA-N 1 3 344.503 2.566 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416981701 477403204 /nfs/dbraw/zinc/40/32/04/477403204.db2.gz VLJDVPGYCOLGFZ-IBGZPJMESA-N 1 3 346.519 2.510 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N(CC3CC3)C3CCC3)CC2)CC1 ZINC000376566980 477406908 /nfs/dbraw/zinc/40/69/08/477406908.db2.gz RMAOZAIVGYIAMZ-UHFFFAOYSA-N 1 3 348.535 2.519 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1ccsc1 ZINC000424457279 477414656 /nfs/dbraw/zinc/41/46/56/477414656.db2.gz ZHTAQAAOGRFOET-BZUAXINKSA-N 1 3 338.521 2.700 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1CCCc1ccc(Cl)cc1 ZINC000436066985 477414931 /nfs/dbraw/zinc/41/49/31/477414931.db2.gz RZWAXHVOWHYORA-KRWDZBQOSA-N 1 3 337.895 2.592 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000424458944 477415109 /nfs/dbraw/zinc/41/51/09/477415109.db2.gz DLQSHDWHOCFRRS-GDAAHCPNSA-N 1 3 344.503 2.609 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccsc1 ZINC000416999920 477415718 /nfs/dbraw/zinc/41/57/18/477415718.db2.gz CMKOPRRVUQASQI-OAHLLOKOSA-N 1 3 338.521 2.572 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC[C@H](C)C1 ZINC000417002590 477417152 /nfs/dbraw/zinc/41/71/52/477417152.db2.gz AOWJRTIQUSVNKB-DLBZAZTESA-N 1 3 338.540 2.657 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC[C@H](C)C1 ZINC000417008218 477420044 /nfs/dbraw/zinc/42/00/44/477420044.db2.gz IKYIJEDXKPRWJS-ROUUACIJSA-N 1 3 346.519 2.667 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccsc1 ZINC000417006598 477420099 /nfs/dbraw/zinc/42/00/99/477420099.db2.gz JUSBOOQGRRBEOM-DZGCQCFKSA-N 1 3 326.510 2.558 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC[C@H](C)C1 ZINC000417008322 477420755 /nfs/dbraw/zinc/42/07/55/477420755.db2.gz IKYIJEDXKPRWJS-ZWKOTPCHSA-N 1 3 346.519 2.667 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccsc1 ZINC000417011169 477420794 /nfs/dbraw/zinc/42/07/94/477420794.db2.gz RHTIRKJTYVMOQV-MRXNPFEDSA-N 1 3 338.521 2.511 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccsc1 ZINC000417011297 477421596 /nfs/dbraw/zinc/42/15/96/477421596.db2.gz RLDJOOFJDZBZJL-VNQPRFMTSA-N 1 3 338.521 2.571 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000417014110 477423858 /nfs/dbraw/zinc/42/38/58/477423858.db2.gz ZLAYGBHQKOBZQL-HZPDHXFCSA-N 1 3 340.537 2.804 20 0 EFADHO CCCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417014408 477423983 /nfs/dbraw/zinc/42/39/83/477423983.db2.gz DFIPYYGTAWIIPW-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449079542 477424794 /nfs/dbraw/zinc/42/47/94/477424794.db2.gz ZEBHOJMAOHCMNT-INIZCTEOSA-N 1 3 329.488 2.979 20 0 EFADHO CC1CC[NH+](CCCCNCc2cccc(S(C)(=O)=O)c2)CC1 ZINC000449082908 477428872 /nfs/dbraw/zinc/42/88/72/477428872.db2.gz QRJOMSXZRAYXBW-UHFFFAOYSA-N 1 3 338.517 2.692 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417030055 477432168 /nfs/dbraw/zinc/43/21/68/477432168.db2.gz PIKPSOSMDJRONF-ZWKOTPCHSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000449088390 477432871 /nfs/dbraw/zinc/43/28/71/477432871.db2.gz HZMZYLJFOZMIGU-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCC1 ZINC000449088390 477432880 /nfs/dbraw/zinc/43/28/80/477432880.db2.gz HZMZYLJFOZMIGU-JKSUJKDBSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](N)c2ccccc2)C1 ZINC000417050175 477441817 /nfs/dbraw/zinc/44/18/17/477441817.db2.gz WCRPWYGBCKRGKS-ZHALLVOQSA-N 1 3 346.519 2.744 20 0 EFADHO CS(=O)(=O)c1cccc(CNCCCCC[NH+]2CCCCC2)c1 ZINC000449120397 477446854 /nfs/dbraw/zinc/44/68/54/477446854.db2.gz CVOYPJWGUJDLLX-UHFFFAOYSA-N 1 3 338.517 2.836 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000458515943 477460906 /nfs/dbraw/zinc/46/09/06/477460906.db2.gz SZBPYTWWGPCZNI-GOSISDBHSA-N 1 3 336.524 2.518 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151741 477460904 /nfs/dbraw/zinc/46/09/04/477460904.db2.gz YMEHOFCMQNNJSP-UKRRQHHQSA-N 1 3 342.405 2.918 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151741 477460909 /nfs/dbraw/zinc/46/09/09/477460909.db2.gz YMEHOFCMQNNJSP-UKRRQHHQSA-N 1 3 342.405 2.918 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000418338148 477470305 /nfs/dbraw/zinc/47/03/05/477470305.db2.gz YWOLMQHHGJVWLI-LZQZEXGQSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000418338148 477470309 /nfs/dbraw/zinc/47/03/09/477470309.db2.gz YWOLMQHHGJVWLI-LZQZEXGQSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC2CC[NH+](C)CC2)cc1 ZINC000418355077 477472012 /nfs/dbraw/zinc/47/20/12/477472012.db2.gz OWLJGBWJUCUOLI-IBGZPJMESA-N 1 3 346.519 2.793 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000449179666 477473025 /nfs/dbraw/zinc/47/30/25/477473025.db2.gz XCCQCTNCAGOZKP-MRXNPFEDSA-N 1 3 332.492 2.544 20 0 EFADHO CCCN(C(=O)NC[C@@H](C)C[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418485339 477475795 /nfs/dbraw/zinc/47/57/95/477475795.db2.gz GYKNFAWKRWUEHP-HKUYNNGSSA-N 1 3 346.519 2.667 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458560583 477481573 /nfs/dbraw/zinc/48/15/73/477481573.db2.gz CANNMGZNLHRXNF-ZWKOTPCHSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458560583 477481583 /nfs/dbraw/zinc/48/15/83/477481583.db2.gz CANNMGZNLHRXNF-ZWKOTPCHSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458560580 477481675 /nfs/dbraw/zinc/48/16/75/477481675.db2.gz CANNMGZNLHRXNF-MSOLQXFVSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000458560580 477481681 /nfs/dbraw/zinc/48/16/81/477481681.db2.gz CANNMGZNLHRXNF-MSOLQXFVSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418700359 477484194 /nfs/dbraw/zinc/48/41/94/477484194.db2.gz JKNAQKMPOXXYRZ-AOIWGVFYSA-N 1 3 346.519 2.808 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436470727 477485301 /nfs/dbraw/zinc/48/53/01/477485301.db2.gz NYBLDRPWQGIJBW-SJLPKXTDSA-N 1 3 344.503 2.723 20 0 EFADHO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000436470726 477485738 /nfs/dbraw/zinc/48/57/38/477485738.db2.gz NYBLDRPWQGIJBW-FUHWJXTLSA-N 1 3 344.503 2.723 20 0 EFADHO CCn1nnc(C)c1CNCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449207588 477487583 /nfs/dbraw/zinc/48/75/83/477487583.db2.gz CDMMMSPDXSCIOC-VQIMIIECSA-N 1 3 341.503 2.997 20 0 EFADHO CCn1nnc(C)c1CNCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449207588 477487591 /nfs/dbraw/zinc/48/75/91/477487591.db2.gz CDMMMSPDXSCIOC-VQIMIIECSA-N 1 3 341.503 2.997 20 0 EFADHO CN(C)c1ccccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000371777843 477491422 /nfs/dbraw/zinc/49/14/22/477491422.db2.gz LUYLAIBEHCRBAH-UHFFFAOYSA-N 1 3 344.547 2.602 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449223694 477494906 /nfs/dbraw/zinc/49/49/06/477494906.db2.gz YJRZZAWUAHRPHR-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccc(F)cc2)n1 ZINC000449341309 477555384 /nfs/dbraw/zinc/55/53/84/477555384.db2.gz SYJKJCSNMJPWSR-LJQANCHMSA-N 1 3 328.435 2.754 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(-c2ccc(F)cc2)n1 ZINC000449341309 477555392 /nfs/dbraw/zinc/55/53/92/477555392.db2.gz SYJKJCSNMJPWSR-LJQANCHMSA-N 1 3 328.435 2.754 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@@H](C)C1 ZINC000449657928 477570270 /nfs/dbraw/zinc/57/02/70/477570270.db2.gz RJZVNCGPBIXIPP-JCECYMMASA-N 1 3 334.508 2.700 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@@H](C)C1 ZINC000449657928 477570274 /nfs/dbraw/zinc/57/02/74/477570274.db2.gz RJZVNCGPBIXIPP-JCECYMMASA-N 1 3 334.508 2.700 20 0 EFADHO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000458777488 477589310 /nfs/dbraw/zinc/58/93/10/477589310.db2.gz QLBGYIRMKSTTIQ-AEFFLSMTSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000458777495 477590012 /nfs/dbraw/zinc/59/00/12/477590012.db2.gz QLBGYIRMKSTTIQ-SJLPKXTDSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000458786616 477597550 /nfs/dbraw/zinc/59/75/50/477597550.db2.gz XFOVAHPAWKNDCO-YTQUADARSA-N 1 3 346.519 2.802 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000458786616 477597554 /nfs/dbraw/zinc/59/75/54/477597554.db2.gz XFOVAHPAWKNDCO-YTQUADARSA-N 1 3 346.519 2.802 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367613723 477600593 /nfs/dbraw/zinc/60/05/93/477600593.db2.gz DILWSNLCINFKFI-SFHVURJKSA-N 1 3 333.524 2.647 20 0 EFADHO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1Cl ZINC000450630188 477662278 /nfs/dbraw/zinc/66/22/78/477662278.db2.gz UAFNHTIQTJTISU-UHFFFAOYSA-N 1 3 339.911 2.806 20 0 EFADHO CCCN(CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420298286 477671613 /nfs/dbraw/zinc/67/16/13/477671613.db2.gz DWIHXBIXCLOOGE-GFCCVEGCSA-N 1 3 343.393 2.754 20 0 EFADHO CCCN(CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420298288 477672045 /nfs/dbraw/zinc/67/20/45/477672045.db2.gz DWIHXBIXCLOOGE-LBPRGKRZSA-N 1 3 343.393 2.754 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307644 477679445 /nfs/dbraw/zinc/67/94/45/477679445.db2.gz BWYYVJLNUNDFKM-FUHWJXTLSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307644 477679452 /nfs/dbraw/zinc/67/94/52/477679452.db2.gz BWYYVJLNUNDFKM-FUHWJXTLSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307644 477679458 /nfs/dbraw/zinc/67/94/58/477679458.db2.gz BWYYVJLNUNDFKM-FUHWJXTLSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000420311447 477682106 /nfs/dbraw/zinc/68/21/06/477682106.db2.gz VYLFTARQVSGJSM-FQEVSTJZSA-N 1 3 345.531 2.935 20 0 EFADHO C[N@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425423718 477683862 /nfs/dbraw/zinc/68/38/62/477683862.db2.gz RBNKHOYDMUFDLE-SFHVURJKSA-N 1 3 344.503 2.629 20 0 EFADHO C[N@@H+](CC1CCN(c2ccncc2)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425423718 477683870 /nfs/dbraw/zinc/68/38/70/477683870.db2.gz RBNKHOYDMUFDLE-SFHVURJKSA-N 1 3 344.503 2.629 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420323583 477692369 /nfs/dbraw/zinc/69/23/69/477692369.db2.gz GDZUJOSALXDUJE-UXHICEINSA-N 1 3 343.515 2.894 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(CCC(C)(C)C)CC2)cc1 ZINC000420324890 477694582 /nfs/dbraw/zinc/69/45/82/477694582.db2.gz VRNBCCONJCLFNJ-GOSISDBHSA-N 1 3 333.520 2.791 20 0 EFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327504 477695526 /nfs/dbraw/zinc/69/55/26/477695526.db2.gz LJVUSZSBVUGYCC-SZMVWBNQSA-N 1 3 329.488 2.898 20 0 EFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420327998 477695945 /nfs/dbraw/zinc/69/59/45/477695945.db2.gz MBUUMMFUOIPUFD-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420327997 477697538 /nfs/dbraw/zinc/69/75/38/477697538.db2.gz MBUUMMFUOIPUFD-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420329482 477698630 /nfs/dbraw/zinc/69/86/30/477698630.db2.gz OJWHRVNRNOAIAU-MSOLQXFVSA-N 1 3 341.499 2.504 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420329483 477699079 /nfs/dbraw/zinc/69/90/79/477699079.db2.gz OJWHRVNRNOAIAU-QZTJIDSGSA-N 1 3 341.499 2.504 20 0 EFADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1 ZINC000420330299 477700428 /nfs/dbraw/zinc/70/04/28/477700428.db2.gz AXESGAXHYJWHSO-MOPGFXCFSA-N 1 3 327.472 2.646 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420332999 477702314 /nfs/dbraw/zinc/70/23/14/477702314.db2.gz DVLRLGDOWAQOFU-HBFSDRIKSA-N 1 3 341.499 2.502 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334350 477704286 /nfs/dbraw/zinc/70/42/86/477704286.db2.gz GGVMQKYIGWORLU-PMACEKPBSA-N 1 3 343.515 2.529 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334354 477704963 /nfs/dbraw/zinc/70/49/63/477704963.db2.gz GGVMQKYIGWORLU-WOJBJXKFSA-N 1 3 343.515 2.529 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334419 477705055 /nfs/dbraw/zinc/70/50/55/477705055.db2.gz GIGDDJASQZZGPV-FRQCXROJSA-N 1 3 345.487 2.734 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450750953 477705147 /nfs/dbraw/zinc/70/51/47/477705147.db2.gz CEWWJTQEWZLLMY-QCFAMHMHSA-N 1 3 348.531 2.878 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450750953 477705156 /nfs/dbraw/zinc/70/51/56/477705156.db2.gz CEWWJTQEWZLLMY-QCFAMHMHSA-N 1 3 348.531 2.878 20 0 EFADHO Clc1ccc(-n2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420337073 477707475 /nfs/dbraw/zinc/70/74/75/477707475.db2.gz MSWMANIOAVWGPX-GASCZTMLSA-N 1 3 330.863 2.957 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000426446447 477710924 /nfs/dbraw/zinc/71/09/24/477710924.db2.gz XYSKQSNQFGNWHV-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000426446447 477710930 /nfs/dbraw/zinc/71/09/30/477710930.db2.gz XYSKQSNQFGNWHV-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1cccc(C(C)C)c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344762 477711249 /nfs/dbraw/zinc/71/12/49/477711249.db2.gz URZDHLZKTUELHC-CALCHBBNSA-N 1 3 329.488 2.988 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420344507 477711401 /nfs/dbraw/zinc/71/14/01/477711401.db2.gz TZFJBDPTCYWBCU-UOVPBQLFSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341014 477711716 /nfs/dbraw/zinc/71/17/16/477711716.db2.gz PQFXIRBHIKQENW-WCXIOVBPSA-N 1 3 347.528 2.732 20 0 EFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345737 477712762 /nfs/dbraw/zinc/71/27/62/477712762.db2.gz WNMKMFMKJQAORG-RBSFLKMASA-N 1 3 335.879 2.989 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345421 477713354 /nfs/dbraw/zinc/71/33/54/477713354.db2.gz WFVUJJOVOBJYND-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420346284 477714097 /nfs/dbraw/zinc/71/40/97/477714097.db2.gz YADDXLRBLWZGEM-QZTJIDSGSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H](c1ccccc1)N(C)C ZINC000377265996 477715857 /nfs/dbraw/zinc/71/58/57/477715857.db2.gz OXTRPFFFEBCLEM-WDSOQIARSA-N 1 3 344.503 2.558 20 0 EFADHO CSc1cccc(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346628 477716143 /nfs/dbraw/zinc/71/61/43/477716143.db2.gz WXYJIWMLCXVOQL-KFWWJZLASA-N 1 3 333.501 2.667 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420360897 477720475 /nfs/dbraw/zinc/72/04/75/477720475.db2.gz LPSRVLADHXOPGU-OAHLLOKOSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420360897 477720478 /nfs/dbraw/zinc/72/04/78/477720478.db2.gz LPSRVLADHXOPGU-OAHLLOKOSA-N 1 3 339.867 2.655 20 0 EFADHO [NH3+]C[C@H](NCCC(=O)NCc1ccccc1Cl)C1CCCCC1 ZINC000420367695 477724510 /nfs/dbraw/zinc/72/45/10/477724510.db2.gz NCTSEZSZSAIIFD-KRWDZBQOSA-N 1 3 337.895 2.844 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420368524 477726829 /nfs/dbraw/zinc/72/68/29/477726829.db2.gz BANITUXOVUKNCC-PXNSSMCTSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000420371361 477728618 /nfs/dbraw/zinc/72/86/18/477728618.db2.gz DGFXKOOXJSKSKV-QZTJIDSGSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+]CCOCCN1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000420374560 477730506 /nfs/dbraw/zinc/73/05/06/477730506.db2.gz OBRHHBZGFGLPAU-UHFFFAOYSA-N 1 3 346.393 2.772 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420380062 477734440 /nfs/dbraw/zinc/73/44/40/477734440.db2.gz BQLNGURIKUALCP-AZUAARDMSA-N 1 3 332.488 2.901 20 0 EFADHO CCOC(=O)[C@]1(C(C)C)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420378804 477735063 /nfs/dbraw/zinc/73/50/63/477735063.db2.gz UPPGMOITHQUXDO-YLJYHZDGSA-N 1 3 348.487 2.649 20 0 EFADHO NC[C@@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CCCO1 ZINC000420390426 477742807 /nfs/dbraw/zinc/74/28/07/477742807.db2.gz NHCSGRCCCPXJNR-MRXNPFEDSA-N 1 3 346.393 2.914 20 0 EFADHO NC[C@@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CCCO1 ZINC000420390426 477742818 /nfs/dbraw/zinc/74/28/18/477742818.db2.gz NHCSGRCCCPXJNR-MRXNPFEDSA-N 1 3 346.393 2.914 20 0 EFADHO C[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000420395561 477745668 /nfs/dbraw/zinc/74/56/68/477745668.db2.gz DNGPDAHSPOHCQU-OCCSQVGLSA-N 1 3 334.851 2.849 20 0 EFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCc1ccccc1Cl ZINC000420397688 477747208 /nfs/dbraw/zinc/74/72/08/477747208.db2.gz MURLXECPKSXJEI-SJLPKXTDSA-N 1 3 349.906 2.810 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401236 477749222 /nfs/dbraw/zinc/74/92/22/477749222.db2.gz IXHIGTHXBQCCID-OLZOCXBDSA-N 1 3 339.867 2.594 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000437764674 477749786 /nfs/dbraw/zinc/74/97/86/477749786.db2.gz MKVOKBQHTXAUAZ-NUJGCVRESA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000437764674 477749788 /nfs/dbraw/zinc/74/97/88/477749788.db2.gz MKVOKBQHTXAUAZ-NUJGCVRESA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455871685 477771238 /nfs/dbraw/zinc/77/12/38/477771238.db2.gz YHQBOFOUCTZJFI-KDOFPFPSSA-N 1 3 330.476 2.793 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455871684 477771328 /nfs/dbraw/zinc/77/13/28/477771328.db2.gz YHQBOFOUCTZJFI-KBXCAEBGSA-N 1 3 330.476 2.793 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC1CCN(CCc2ccccc2)CC1 ZINC000427265980 477772240 /nfs/dbraw/zinc/77/22/40/477772240.db2.gz GRWLAXYWTKMLMB-LJQANCHMSA-N 1 3 343.515 2.590 20 0 EFADHO CCN1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455898941 477779669 /nfs/dbraw/zinc/77/96/69/477779669.db2.gz FBWKUULDPHLMNL-GOSISDBHSA-N 1 3 330.476 2.795 20 0 EFADHO CCN1CCC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942143 477788336 /nfs/dbraw/zinc/78/83/36/477788336.db2.gz UPBGELKBBHIQAA-AEFFLSMTSA-N 1 3 330.476 2.841 20 0 EFADHO CCC[NH+]1CCC(N(C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420911937 477810621 /nfs/dbraw/zinc/81/06/21/477810621.db2.gz GYOSFUJJELQAPF-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420911937 477810629 /nfs/dbraw/zinc/81/06/29/477810629.db2.gz GYOSFUJJELQAPF-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420911937 477810636 /nfs/dbraw/zinc/81/06/36/477810636.db2.gz GYOSFUJJELQAPF-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914886 477814538 /nfs/dbraw/zinc/81/45/38/477814538.db2.gz KTOARWUSOJIHLL-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914886 477814545 /nfs/dbraw/zinc/81/45/45/477814545.db2.gz KTOARWUSOJIHLL-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914886 477814555 /nfs/dbraw/zinc/81/45/55/477814555.db2.gz KTOARWUSOJIHLL-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914886 477814559 /nfs/dbraw/zinc/81/45/59/477814559.db2.gz KTOARWUSOJIHLL-RXVVDRJESA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccoc1 ZINC000428232694 477848504 /nfs/dbraw/zinc/84/85/04/477848504.db2.gz VPPAIHHZOUDCSD-SJLPKXTDSA-N 1 3 335.492 2.934 20 0 EFADHO CC[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000515644574 477849762 /nfs/dbraw/zinc/84/97/62/477849762.db2.gz APWQIOBOSPKIRU-MISYRCLQSA-N 1 3 343.515 2.847 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@]1(C)CCCO1 ZINC000428247903 477852381 /nfs/dbraw/zinc/85/23/81/477852381.db2.gz QYLGSUCVLKLECC-UZLBHIALSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@]1(C)CCCO1 ZINC000428246538 477852760 /nfs/dbraw/zinc/85/27/60/477852760.db2.gz OBYNCDAQNUFRTG-OXJNMPFZSA-N 1 3 332.488 2.691 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)N(C)C1CC1 ZINC000460254449 477854901 /nfs/dbraw/zinc/85/49/01/477854901.db2.gz DAJUYDSCVPXWMD-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000428299750 477862416 /nfs/dbraw/zinc/86/24/16/477862416.db2.gz GBZMWMVUJYTPLB-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000428299750 477862423 /nfs/dbraw/zinc/86/24/23/477862423.db2.gz GBZMWMVUJYTPLB-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438551328 477862824 /nfs/dbraw/zinc/86/28/24/477862824.db2.gz FFRDDJGWFXAHLC-SFNKJDCFSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000438551328 477862827 /nfs/dbraw/zinc/86/28/27/477862827.db2.gz FFRDDJGWFXAHLC-SFNKJDCFSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000558424940 477867136 /nfs/dbraw/zinc/86/71/36/477867136.db2.gz KIUNOSFRBCMZOK-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc2c1OC(C)(C)C2 ZINC000558424940 477867143 /nfs/dbraw/zinc/86/71/43/477867143.db2.gz KIUNOSFRBCMZOK-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000515927869 477872588 /nfs/dbraw/zinc/87/25/88/477872588.db2.gz ZVOIDVKQUCKKGX-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3)CC2)CC1 ZINC000420977038 477872754 /nfs/dbraw/zinc/87/27/54/477872754.db2.gz HODDHUBYLUEGJE-UHFFFAOYSA-N 1 3 331.504 2.557 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOc3ccccc3)CC2)CC1 ZINC000420977038 477872763 /nfs/dbraw/zinc/87/27/63/477872763.db2.gz HODDHUBYLUEGJE-UHFFFAOYSA-N 1 3 331.504 2.557 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451201726 477875144 /nfs/dbraw/zinc/87/51/44/477875144.db2.gz KUCFPHNLNSUVSQ-OALUTQOASA-N 1 3 333.520 2.917 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451201726 477875150 /nfs/dbraw/zinc/87/51/50/477875150.db2.gz KUCFPHNLNSUVSQ-OALUTQOASA-N 1 3 333.520 2.917 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000461441340 477877076 /nfs/dbraw/zinc/87/70/76/477877076.db2.gz DTUTUAYFXIBPES-AQNXPRMDSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000461441340 477877083 /nfs/dbraw/zinc/87/70/83/477877083.db2.gz DTUTUAYFXIBPES-AQNXPRMDSA-N 1 3 343.515 2.553 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000493923084 477878743 /nfs/dbraw/zinc/87/87/43/477878743.db2.gz XGNDOQMKHNVEPD-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@@H](O)COc1cccc2[nH]ccc21)C(C)(C)C ZINC000558504070 477881015 /nfs/dbraw/zinc/88/10/15/477881015.db2.gz ZCKNUPFGAYCETQ-DNVCBOLYSA-N 1 3 347.503 2.864 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000461797352 477885228 /nfs/dbraw/zinc/88/52/28/477885228.db2.gz QIUBOJDBGHJRPH-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000461797352 477885235 /nfs/dbraw/zinc/88/52/35/477885235.db2.gz QIUBOJDBGHJRPH-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO Fc1ccc(OCC[NH2+]C2CCN(c3ccncc3)CC2)cc1F ZINC000459408193 477893457 /nfs/dbraw/zinc/89/34/57/477893457.db2.gz MURPSZIEKZHJJT-UHFFFAOYSA-N 1 3 333.382 2.997 20 0 EFADHO C[C@H](CCN1CCC[C@H](CCO)CC1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421014013 477903302 /nfs/dbraw/zinc/90/33/02/477903302.db2.gz JWXKVEVQFDZPMY-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CCN1CCC[C@H](CCO)CC1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014013 477903308 /nfs/dbraw/zinc/90/33/08/477903308.db2.gz JWXKVEVQFDZPMY-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@@H+]1CCC[C@H](CCO)CC1)N1CCC[C@@H](CCO)CC1 ZINC000421014013 477903323 /nfs/dbraw/zinc/90/33/23/477903323.db2.gz JWXKVEVQFDZPMY-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[N@H+]1CCC[C@H](CCO)CC1)N1CCC[C@@H](CCO)CC1 ZINC000421014013 477903333 /nfs/dbraw/zinc/90/33/33/477903333.db2.gz JWXKVEVQFDZPMY-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO Clc1cnc(OCCNC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000459450992 477908996 /nfs/dbraw/zinc/90/89/96/477908996.db2.gz UTDRFOYQNRVCJS-UHFFFAOYSA-N 1 3 330.259 2.984 20 0 EFADHO COC1CCN(C2(C[NH2+]C3CCN(C4CC4)CC3)CCCC2)CC1 ZINC000459452459 477910837 /nfs/dbraw/zinc/91/08/37/477910837.db2.gz YWQZQKGJSKAVHN-UHFFFAOYSA-N 1 3 335.536 2.626 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C)[NH+](CC)CC ZINC000494070920 477916072 /nfs/dbraw/zinc/91/60/72/477916072.db2.gz ZHKZGVRIKWWQTC-YTQUADARSA-N 1 3 331.504 2.886 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000558682878 477917252 /nfs/dbraw/zinc/91/72/52/477917252.db2.gz PDNFUUOKYMLMNW-UHFFFAOYSA-N 1 3 333.476 2.816 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](CCCN2CCCC2)C1 ZINC000494114149 477924361 /nfs/dbraw/zinc/92/43/61/477924361.db2.gz WZZNHLYYLCQVRQ-INIZCTEOSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCCN2CCCC2)C1 ZINC000494114149 477924367 /nfs/dbraw/zinc/92/43/67/477924367.db2.gz WZZNHLYYLCQVRQ-INIZCTEOSA-N 1 3 325.497 2.709 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000532449492 477928824 /nfs/dbraw/zinc/92/88/24/477928824.db2.gz GAYJRBWXMKFFQK-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000494148985 477933852 /nfs/dbraw/zinc/93/38/52/477933852.db2.gz UPZMJBCPPZSCOF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@H]1CCC[N@H+]1C ZINC000494148985 477933856 /nfs/dbraw/zinc/93/38/56/477933856.db2.gz UPZMJBCPPZSCOF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000532485086 477935370 /nfs/dbraw/zinc/93/53/70/477935370.db2.gz QYPWKEPWTUDZQG-SUMWQHHRSA-N 1 3 335.879 2.504 20 0 EFADHO CCN(CC[NH2+]C1CCN(c2ccncc2)CC1)CCC(F)(F)F ZINC000459498823 477938778 /nfs/dbraw/zinc/93/87/78/477938778.db2.gz BJOAYAAJCIMLGV-UHFFFAOYSA-N 1 3 344.425 2.914 20 0 EFADHO C[C@H]1CCN(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000532531072 477942411 /nfs/dbraw/zinc/94/24/11/477942411.db2.gz IVZYNHXGXRUMBU-KRWDZBQOSA-N 1 3 333.495 2.764 20 0 EFADHO NC(=O)C[N@@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459540555 477961727 /nfs/dbraw/zinc/96/17/27/477961727.db2.gz YZGDVMXLIYKAKA-IBGZPJMESA-N 1 3 329.488 2.629 20 0 EFADHO NC(=O)C[N@H+]1CCCCC[C@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459540555 477961732 /nfs/dbraw/zinc/96/17/32/477961732.db2.gz YZGDVMXLIYKAKA-IBGZPJMESA-N 1 3 329.488 2.629 20 0 EFADHO O=C1CCN1c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459541482 477962378 /nfs/dbraw/zinc/96/23/78/477962378.db2.gz ZKKKSLNPOWGDFQ-UHFFFAOYSA-N 1 3 336.439 2.577 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]CC(C)(C)COC)cc2)CC1 ZINC000494375045 477974583 /nfs/dbraw/zinc/97/45/83/477974583.db2.gz CQAPKBXQDYNVDU-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000421143710 477978272 /nfs/dbraw/zinc/97/82/72/477978272.db2.gz CLVJOITVSDMMLD-WMZOPIPTSA-N 1 3 330.476 2.793 20 0 EFADHO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459568854 477981382 /nfs/dbraw/zinc/98/13/82/477981382.db2.gz BVJWSKOROTYYKF-MSOLQXFVSA-N 1 3 331.460 2.762 20 0 EFADHO COC(=O)[C@]1(c2ccccc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000428781657 477982643 /nfs/dbraw/zinc/98/26/43/477982643.db2.gz PCQCPFIIVNTYKC-HXUWFJFHSA-N 1 3 330.472 2.679 20 0 EFADHO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000428781657 477982648 /nfs/dbraw/zinc/98/26/48/477982648.db2.gz PCQCPFIIVNTYKC-HXUWFJFHSA-N 1 3 330.472 2.679 20 0 EFADHO CCC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465778024 477988388 /nfs/dbraw/zinc/98/83/88/477988388.db2.gz XBRHRAMPPAERBY-IAGOWNOFSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[C@@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465778024 477988395 /nfs/dbraw/zinc/98/83/95/477988395.db2.gz XBRHRAMPPAERBY-IAGOWNOFSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[C@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000465778023 477988632 /nfs/dbraw/zinc/98/86/32/477988632.db2.gz XBRHRAMPPAERBY-DLBZAZTESA-N 1 3 326.529 2.623 20 0 EFADHO CCC[C@H](CC)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000465778023 477988638 /nfs/dbraw/zinc/98/86/38/477988638.db2.gz XBRHRAMPPAERBY-DLBZAZTESA-N 1 3 326.529 2.623 20 0 EFADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000559921209 478006999 /nfs/dbraw/zinc/00/69/99/478006999.db2.gz PVIAIKDHDZEAFW-KXBFYZLASA-N 1 3 341.455 2.508 20 0 EFADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccn1 ZINC000559921209 478007007 /nfs/dbraw/zinc/00/70/07/478007007.db2.gz PVIAIKDHDZEAFW-KXBFYZLASA-N 1 3 341.455 2.508 20 0 EFADHO C[NH+](C)CCC1CCN(CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532926996 478009518 /nfs/dbraw/zinc/00/95/18/478009518.db2.gz VUZNUISRPIKYEP-UHFFFAOYSA-N 1 3 330.476 2.796 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CC(C)(CCOC)C2)CC1 ZINC000459634919 478017931 /nfs/dbraw/zinc/01/79/31/478017931.db2.gz NVPNUJKEAQPTAE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC[NH+]1CCN(c2ccccc2CN2CC(C)(CCOC)C2)CC1 ZINC000459634919 478017937 /nfs/dbraw/zinc/01/79/37/478017937.db2.gz NVPNUJKEAQPTAE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO Cc1nc(COc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)cc2)no1 ZINC000560134183 478024137 /nfs/dbraw/zinc/02/41/37/478024137.db2.gz KBKBXIRLNAMKAH-ALOPSCKCSA-N 1 3 342.443 2.672 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1)CN1CCCC1 ZINC000516965506 478024464 /nfs/dbraw/zinc/02/44/64/478024464.db2.gz YPTUMKCWRAGGAL-FXAWDEMLSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COc1ccc2ccccc2c1)CN1CCCC1 ZINC000516965507 478024609 /nfs/dbraw/zinc/02/46/09/478024609.db2.gz YPTUMKCWRAGGAL-PXNSSMCTSA-N 1 3 342.483 2.901 20 0 EFADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000494652508 478033856 /nfs/dbraw/zinc/03/38/56/478033856.db2.gz ITFKWHSLIJKKCO-PMACEKPBSA-N 1 3 343.515 2.718 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1(C)C ZINC000560235637 478036331 /nfs/dbraw/zinc/03/63/31/478036331.db2.gz LSLFGKJQRGCHTH-OALUTQOASA-N 1 3 345.531 2.848 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1(C)C ZINC000560235639 478036522 /nfs/dbraw/zinc/03/65/22/478036522.db2.gz LSLFGKJQRGCHTH-RBUKOAKNSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CCC2)C[C@@H](C)C1)C(C)C ZINC000487545902 478045087 /nfs/dbraw/zinc/04/50/87/478045087.db2.gz YNWLCAIFGYFEFF-QGZVFWFLSA-N 1 3 338.540 2.621 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000494698092 478048286 /nfs/dbraw/zinc/04/82/86/478048286.db2.gz TXMVDHYOXAMRDB-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000487559364 478049113 /nfs/dbraw/zinc/04/91/13/478049113.db2.gz KZXIIGGKUUSYME-LAEWNIMASA-N 1 3 337.467 2.841 20 0 EFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC/C=C/c1ccncc1 ZINC000487559364 478049123 /nfs/dbraw/zinc/04/91/23/478049123.db2.gz KZXIIGGKUUSYME-LAEWNIMASA-N 1 3 337.467 2.841 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000421355819 478049553 /nfs/dbraw/zinc/04/95/53/478049553.db2.gz VJWXBRNXIFPNFL-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1C[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1=O ZINC000421355819 478049563 /nfs/dbraw/zinc/04/95/63/478049563.db2.gz VJWXBRNXIFPNFL-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000533294990 478060127 /nfs/dbraw/zinc/06/01/27/478060127.db2.gz RHYAAFQUJPHLTE-IRXDYDNUSA-N 1 3 329.488 2.629 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000440191426 478087791 /nfs/dbraw/zinc/08/77/91/478087791.db2.gz TYSHOVSYJLGJEF-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(C(C)C)CC1 ZINC000440191426 478087796 /nfs/dbraw/zinc/08/77/96/478087796.db2.gz TYSHOVSYJLGJEF-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000440200499 478089786 /nfs/dbraw/zinc/08/97/86/478089786.db2.gz LKVKNIWIFKXVQN-UHFFFAOYSA-N 1 3 326.529 2.623 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000560535327 478107804 /nfs/dbraw/zinc/10/78/04/478107804.db2.gz ZLSUIOUSGSCJLI-OAHLLOKOSA-N 1 3 339.474 2.902 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)NCCc1ccccc1 ZINC000560585142 478114223 /nfs/dbraw/zinc/11/42/23/478114223.db2.gz QUWFDOUGFLAAJD-HKUYNNGSSA-N 1 3 331.504 2.588 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)NCCc1ccccc1 ZINC000560585142 478114230 /nfs/dbraw/zinc/11/42/30/478114230.db2.gz QUWFDOUGFLAAJD-HKUYNNGSSA-N 1 3 331.504 2.588 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@H](C)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000517731299 478118025 /nfs/dbraw/zinc/11/80/25/478118025.db2.gz XCFQOVDIJBBTPU-UYHISHBKSA-N 1 3 331.460 2.692 20 0 EFADHO Cc1c([C@@H](C)NCC2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000517918487 478132366 /nfs/dbraw/zinc/13/23/66/478132366.db2.gz SQFXUPQPBGZXBJ-GFCCVEGCSA-N 1 3 333.867 2.879 20 0 EFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CS1 ZINC000488425191 478147301 /nfs/dbraw/zinc/14/73/01/478147301.db2.gz TUUNJHWGODYVKJ-MLHJIOFPSA-N 1 3 326.550 2.874 20 0 EFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CS1 ZINC000488425187 478147962 /nfs/dbraw/zinc/14/79/62/478147962.db2.gz TUUNJHWGODYVKJ-FJIDUMEYSA-N 1 3 326.550 2.874 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488433138 478149584 /nfs/dbraw/zinc/14/95/84/478149584.db2.gz NAFKOLZEWUTAQS-SJORKVTESA-N 1 3 327.582 2.914 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000488500657 478155724 /nfs/dbraw/zinc/15/57/24/478155724.db2.gz FVFLOVCZPZMPPQ-SJLPKXTDSA-N 1 3 335.536 2.926 20 0 EFADHO CCNC(=O)C1(C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)CCC1 ZINC000488500657 478155727 /nfs/dbraw/zinc/15/57/27/478155727.db2.gz FVFLOVCZPZMPPQ-SJLPKXTDSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1C1CC1 ZINC000440769087 478157919 /nfs/dbraw/zinc/15/79/19/478157919.db2.gz DPZMKLVKNGMGMA-JKSUJKDBSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1C1CC1 ZINC000440769085 478158199 /nfs/dbraw/zinc/15/81/99/478158199.db2.gz DPZMKLVKNGMGMA-HOTGVXAUSA-N 1 3 336.524 2.565 20 0 EFADHO CN1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H]1c1ccccc1 ZINC000561192349 478164517 /nfs/dbraw/zinc/16/45/17/478164517.db2.gz OYKNEGJERISZGO-RCCFBDPRSA-N 1 3 344.503 2.509 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCCc3ccccc3CC2)CC1 ZINC000451707961 478169648 /nfs/dbraw/zinc/16/96/48/478169648.db2.gz HMIVRHKJAQJJBU-UHFFFAOYSA-N 1 3 329.532 2.893 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCCc3ccccc3CC2)CC1 ZINC000451707961 478169651 /nfs/dbraw/zinc/16/96/51/478169651.db2.gz HMIVRHKJAQJJBU-UHFFFAOYSA-N 1 3 329.532 2.893 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000561283657 478174223 /nfs/dbraw/zinc/17/42/23/478174223.db2.gz UJIWKLMFWVNVNU-AWEZNQCLSA-N 1 3 334.851 2.910 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495419586 478194099 /nfs/dbraw/zinc/19/40/99/478194099.db2.gz XBEOYKXZFBKVRA-LJQANCHMSA-N 1 3 339.524 2.907 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCCN3CCCC3)C2)C1 ZINC000495443492 478199424 /nfs/dbraw/zinc/19/94/24/478199424.db2.gz SBLMPFOEHLUYQH-IBGZPJMESA-N 1 3 337.508 2.805 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCCN3CCCC3)C2)C1 ZINC000495443492 478199426 /nfs/dbraw/zinc/19/94/26/478199426.db2.gz SBLMPFOEHLUYQH-IBGZPJMESA-N 1 3 337.508 2.805 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000561716383 478200494 /nfs/dbraw/zinc/20/04/94/478200494.db2.gz PCRBDMMZZBWCIK-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000561716383 478200496 /nfs/dbraw/zinc/20/04/96/478200496.db2.gz PCRBDMMZZBWCIK-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000561976774 478210577 /nfs/dbraw/zinc/21/05/77/478210577.db2.gz RSZUKCHGRUWPEH-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000561976774 478210582 /nfs/dbraw/zinc/21/05/82/478210582.db2.gz RSZUKCHGRUWPEH-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)c1 ZINC000561976774 478210586 /nfs/dbraw/zinc/21/05/86/478210586.db2.gz RSZUKCHGRUWPEH-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO CC1(C)C[C@@H](O)CCN(C/C=C/C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808351 478210913 /nfs/dbraw/zinc/21/09/13/478210913.db2.gz JIYMJHKMJSTUAU-FBLDJFESSA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CCN(C/C=C/C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808351 478210917 /nfs/dbraw/zinc/21/09/17/478210917.db2.gz JIYMJHKMJSTUAU-FBLDJFESSA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CC[N@@H+](C/C=C/CN2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808351 478210920 /nfs/dbraw/zinc/21/09/20/478210920.db2.gz JIYMJHKMJSTUAU-FBLDJFESSA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CC[N@H+](C/C=C/CN2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808351 478210925 /nfs/dbraw/zinc/21/09/25/478210925.db2.gz JIYMJHKMJSTUAU-FBLDJFESSA-N 1 3 338.536 2.508 20 0 EFADHO C[C@H](CCN1CC[C@@H](O)CC(C)(C)C1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811540 478212559 /nfs/dbraw/zinc/21/25/59/478212559.db2.gz PHEOVXDXPGSOAE-KURKYZTESA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CCN1CC[C@@H](O)CC(C)(C)C1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811540 478212561 /nfs/dbraw/zinc/21/25/61/478212561.db2.gz PHEOVXDXPGSOAE-KURKYZTESA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1)N1CC[C@H](O)CC(C)(C)C1 ZINC000451811540 478212564 /nfs/dbraw/zinc/21/25/64/478212564.db2.gz PHEOVXDXPGSOAE-KURKYZTESA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@@H](O)CC(C)(C)C1)N1CC[C@H](O)CC(C)(C)C1 ZINC000451811540 478212568 /nfs/dbraw/zinc/21/25/68/478212568.db2.gz PHEOVXDXPGSOAE-KURKYZTESA-N 1 3 340.552 2.731 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146574 478221168 /nfs/dbraw/zinc/22/11/68/478221168.db2.gz BZBMOMLJLMQJGS-DLBZAZTESA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCN(C2CCC2)C1 ZINC000489146574 478221171 /nfs/dbraw/zinc/22/11/71/478221171.db2.gz BZBMOMLJLMQJGS-DLBZAZTESA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000519596771 478238012 /nfs/dbraw/zinc/23/80/12/478238012.db2.gz WONKBKBJORCQND-XUVXKRRUSA-N 1 3 332.488 2.763 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000495611456 478244602 /nfs/dbraw/zinc/24/46/02/478244602.db2.gz LHGQJKUTCVOGEW-OWCLPIDISA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCCN1C ZINC000495611456 478244604 /nfs/dbraw/zinc/24/46/04/478244604.db2.gz LHGQJKUTCVOGEW-OWCLPIDISA-N 1 3 325.497 2.848 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@H]21 ZINC000495616159 478246102 /nfs/dbraw/zinc/24/61/02/478246102.db2.gz DFQZBIGXOAIITJ-FGTMMUONSA-N 1 3 329.444 2.606 20 0 EFADHO C[N@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@H]21 ZINC000495616159 478246107 /nfs/dbraw/zinc/24/61/07/478246107.db2.gz DFQZBIGXOAIITJ-FGTMMUONSA-N 1 3 329.444 2.606 20 0 EFADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@H]21 ZINC000495616159 478246110 /nfs/dbraw/zinc/24/61/10/478246110.db2.gz DFQZBIGXOAIITJ-FGTMMUONSA-N 1 3 329.444 2.606 20 0 EFADHO CCN(CCC1CC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000520251622 478289519 /nfs/dbraw/zinc/28/95/19/478289519.db2.gz HSPUMCUQODOLJX-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000570147065 478293697 /nfs/dbraw/zinc/29/36/97/478293697.db2.gz JFLPWAOZPCHNIJ-UHFFFAOYSA-N 1 3 326.529 2.528 20 0 EFADHO C[C@@H](NCCCC[NH+](C)C)c1cnccc1NC(=O)OC(C)(C)C ZINC000495753753 478302575 /nfs/dbraw/zinc/30/25/75/478302575.db2.gz NLFRSAWNEPNFBC-CQSZACIVSA-N 1 3 336.480 2.843 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000520419694 478310295 /nfs/dbraw/zinc/31/02/95/478310295.db2.gz LKYOSCNBJZETLV-MBOZVWFJSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000520419694 478310303 /nfs/dbraw/zinc/31/03/03/478310303.db2.gz LKYOSCNBJZETLV-MBOZVWFJSA-N 1 3 329.488 2.640 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000520541349 478322339 /nfs/dbraw/zinc/32/23/39/478322339.db2.gz HZOSTOIVQYSVKD-MAUKXSAKSA-N 1 3 346.500 2.857 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000562750670 478340360 /nfs/dbraw/zinc/34/03/60/478340360.db2.gz QPOHVTGWBNUHGR-AZUAARDMSA-N 1 3 346.519 2.645 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000562768137 478344657 /nfs/dbraw/zinc/34/46/57/478344657.db2.gz GKGWOZREDQTRFZ-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCC[C@H](C)C1 ZINC000562768137 478344663 /nfs/dbraw/zinc/34/46/63/478344663.db2.gz GKGWOZREDQTRFZ-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000570382976 478347636 /nfs/dbraw/zinc/34/76/36/478347636.db2.gz ZEWVEKBFWQDTIG-MRXNPFEDSA-N 1 3 340.899 2.713 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1 ZINC000570383220 478347997 /nfs/dbraw/zinc/34/79/97/478347997.db2.gz HVNIKMNKXXYIQJ-CVEARBPZSA-N 1 3 344.503 2.722 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N(C)CCC[NH3+])c2cccs2)CC1 ZINC000562794503 478352901 /nfs/dbraw/zinc/35/29/01/478352901.db2.gz HDTKZWPDDXMRQU-HNNXBMFYSA-N 1 3 338.521 2.511 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399746 478357767 /nfs/dbraw/zinc/35/77/67/478357767.db2.gz GWMCZYHUTIAOOT-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399746 478357770 /nfs/dbraw/zinc/35/77/70/478357770.db2.gz GWMCZYHUTIAOOT-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)[C@H](C)C1 ZINC000538399746 478357774 /nfs/dbraw/zinc/35/77/74/478357774.db2.gz GWMCZYHUTIAOOT-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc3nc[nH]c3c2)[C@H](C)C1 ZINC000538399746 478357778 /nfs/dbraw/zinc/35/77/78/478357778.db2.gz GWMCZYHUTIAOOT-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc3nc[nH]c3c2)[C@H](C)C1 ZINC000538399746 478357783 /nfs/dbraw/zinc/35/77/83/478357783.db2.gz GWMCZYHUTIAOOT-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000562814824 478359136 /nfs/dbraw/zinc/35/91/36/478359136.db2.gz IGZOPDIZFKKOCI-FUHWJXTLSA-N 1 3 334.508 2.674 20 0 EFADHO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCCCC1 ZINC000538589967 478364924 /nfs/dbraw/zinc/36/49/24/478364924.db2.gz GHWCAHWRZDXERD-XLIONFOSSA-N 1 3 345.531 2.834 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866430 478373166 /nfs/dbraw/zinc/37/31/66/478373166.db2.gz NUXABFRUMCZJNS-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866430 478373173 /nfs/dbraw/zinc/37/31/73/478373173.db2.gz NUXABFRUMCZJNS-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866430 478373180 /nfs/dbraw/zinc/37/31/80/478373180.db2.gz NUXABFRUMCZJNS-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866430 478373187 /nfs/dbraw/zinc/37/31/87/478373187.db2.gz NUXABFRUMCZJNS-YZLZLFLDSA-N 1 3 349.519 2.660 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[NH+]1CCCCCC1 ZINC000570535985 478384133 /nfs/dbraw/zinc/38/41/33/478384133.db2.gz DPNPCFHQXGORIS-SFHVURJKSA-N 1 3 346.519 2.626 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495887950 478389157 /nfs/dbraw/zinc/38/91/57/478389157.db2.gz VFLANVBCYRTTKL-XHSDSOJGSA-N 1 3 325.497 2.549 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495887950 478389163 /nfs/dbraw/zinc/38/91/63/478389163.db2.gz VFLANVBCYRTTKL-XHSDSOJGSA-N 1 3 325.497 2.549 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2cc3ccccc3o2)CC[NH2+]CC1 ZINC000562959075 478393957 /nfs/dbraw/zinc/39/39/57/478393957.db2.gz RMHDRKFSPBMHJQ-CQSZACIVSA-N 1 3 330.428 2.844 20 0 EFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000570604219 478397090 /nfs/dbraw/zinc/39/70/90/478397090.db2.gz KRLFGPLLRFUOFF-HNAWSFBYSA-N 1 3 331.504 2.820 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2ccc(F)cc2Cl)CC1)C1CC1 ZINC000562992303 478406633 /nfs/dbraw/zinc/40/66/33/478406633.db2.gz OFZUDPSANSMXRW-CQSZACIVSA-N 1 3 326.843 2.555 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2ccc(F)cc2Cl)CC1)C1CC1 ZINC000562992303 478406638 /nfs/dbraw/zinc/40/66/38/478406638.db2.gz OFZUDPSANSMXRW-CQSZACIVSA-N 1 3 326.843 2.555 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000539495171 478419542 /nfs/dbraw/zinc/41/95/42/478419542.db2.gz GLMXTWHLIXSMIW-RBUKOAKNSA-N 1 3 334.504 2.963 20 0 EFADHO CC(C)C[C@H](CNC[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953459 478436371 /nfs/dbraw/zinc/43/63/71/478436371.db2.gz XBWDCUDNABMDKG-JKSUJKDBSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)C[C@H](CNC[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953459 478436379 /nfs/dbraw/zinc/43/63/79/478436379.db2.gz XBWDCUDNABMDKG-JKSUJKDBSA-N 1 3 327.513 2.857 20 0 EFADHO N[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H]1c1ccccc1F ZINC000563113653 478451844 /nfs/dbraw/zinc/45/18/44/478451844.db2.gz TYMUPZNSLJHYRA-YTQUADARSA-N 1 3 341.430 2.559 20 0 EFADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980630 478455869 /nfs/dbraw/zinc/45/58/69/478455869.db2.gz JQYQHJBDHIRKOU-IXDOHACOSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980630 478455876 /nfs/dbraw/zinc/45/58/76/478455876.db2.gz JQYQHJBDHIRKOU-IXDOHACOSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980630 478455882 /nfs/dbraw/zinc/45/58/82/478455882.db2.gz JQYQHJBDHIRKOU-IXDOHACOSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980630 478455885 /nfs/dbraw/zinc/45/58/85/478455885.db2.gz JQYQHJBDHIRKOU-IXDOHACOSA-N 1 3 339.524 2.953 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000527643972 478458258 /nfs/dbraw/zinc/45/82/58/478458258.db2.gz ZRTMKRJVZVXZTA-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000570875149 478465912 /nfs/dbraw/zinc/46/59/12/478465912.db2.gz YPDLHWPEHLNIIM-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000527669584 478469143 /nfs/dbraw/zinc/46/91/43/478469143.db2.gz IVZOSLSTHJYROV-LJQANCHMSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(N[C@H]1CCN(CC2CC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000594647146 478476677 /nfs/dbraw/zinc/47/66/77/478476677.db2.gz CVAPRVUYZALOSR-FQEVSTJZSA-N 1 3 341.499 2.887 20 0 EFADHO CCC[NH+]1CCC(NC(=O)C2(C)CCN(c3ccncc3)CC2)CC1 ZINC000527703078 478484722 /nfs/dbraw/zinc/48/47/22/478484722.db2.gz JVYJVFQBHNZOBV-UHFFFAOYSA-N 1 3 344.503 2.679 20 0 EFADHO CSc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC000563343183 478522332 /nfs/dbraw/zinc/52/23/32/478522332.db2.gz DPGLYUGHZUTWIG-INIZCTEOSA-N 1 3 338.517 2.614 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000571158300 478532435 /nfs/dbraw/zinc/53/24/35/478532435.db2.gz CNXFOZKQYUZNIQ-ATZDWAIDSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc3ccccc3c2)CC[N@H+]1C ZINC000571158300 478532442 /nfs/dbraw/zinc/53/24/42/478532442.db2.gz CNXFOZKQYUZNIQ-ATZDWAIDSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000571158302 478532600 /nfs/dbraw/zinc/53/26/00/478532600.db2.gz CNXFOZKQYUZNIQ-LZQZEXGQSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc3ccccc3c2)CC[N@H+]1C ZINC000571158302 478532604 /nfs/dbraw/zinc/53/26/04/478532604.db2.gz CNXFOZKQYUZNIQ-LZQZEXGQSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563374812 478536524 /nfs/dbraw/zinc/53/65/24/478536524.db2.gz BDBCDDVPHXOIOV-CALCHBBNSA-N 1 3 331.504 2.783 20 0 EFADHO COc1cc(F)c(CNCC2(SC)CC[NH+](C)CC2)cc1OC ZINC000582245830 478549071 /nfs/dbraw/zinc/54/90/71/478549071.db2.gz AINHSJUPKSYQTK-UHFFFAOYSA-N 1 3 342.480 2.760 20 0 EFADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000591429410 478549588 /nfs/dbraw/zinc/54/95/88/478549588.db2.gz DNFDRHNIXXZSPR-SJORKVTESA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N(C)C ZINC000591429410 478549596 /nfs/dbraw/zinc/54/95/96/478549596.db2.gz DNFDRHNIXXZSPR-SJORKVTESA-N 1 3 347.503 2.620 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000496128326 478555540 /nfs/dbraw/zinc/55/55/40/478555540.db2.gz ZVCNPBNAQDTILR-VHSSKADRSA-N 1 3 331.460 2.978 20 0 EFADHO C[N@H+](C[C@H](O)CNCC(C)(C)c1ccc(F)cc1Cl)C1CC1 ZINC000571277767 478558987 /nfs/dbraw/zinc/55/89/87/478558987.db2.gz VALBIVMQGAHFMJ-CQSZACIVSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC(C)(C)c1ccc(F)cc1Cl)C1CC1 ZINC000571277767 478558993 /nfs/dbraw/zinc/55/89/93/478558993.db2.gz VALBIVMQGAHFMJ-CQSZACIVSA-N 1 3 328.859 2.801 20 0 EFADHO CN(C)CCC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595006064 478627325 /nfs/dbraw/zinc/62/73/25/478627325.db2.gz GVVBHQLOTSBREI-CQSZACIVSA-N 1 3 344.240 2.820 20 0 EFADHO C[C@H]1CC[N@H+](CCCN2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496149431 478569959 /nfs/dbraw/zinc/56/99/59/478569959.db2.gz WFNIOZUXMRGPST-IRXDYDNUSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H]1CC[N@@H+](CCCN2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496149431 478569967 /nfs/dbraw/zinc/56/99/67/478569967.db2.gz WFNIOZUXMRGPST-IRXDYDNUSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000563522606 478578701 /nfs/dbraw/zinc/57/87/01/478578701.db2.gz OWRHJUXLDMBXQZ-OAHLLOKOSA-N 1 3 338.521 2.572 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000563529505 478579462 /nfs/dbraw/zinc/57/94/62/478579462.db2.gz QIDFNZFOYKBHIF-QRQLOZEOSA-N 1 3 344.503 2.640 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000527967711 478591804 /nfs/dbraw/zinc/59/18/04/478591804.db2.gz JPZWCPBXHZHZAN-YNVMFWSZSA-N 1 3 331.504 2.588 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000527967711 478591809 /nfs/dbraw/zinc/59/18/09/478591809.db2.gz JPZWCPBXHZHZAN-YNVMFWSZSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000541823820 478594223 /nfs/dbraw/zinc/59/42/23/478594223.db2.gz SZSHIVQQYCQYGR-RDJZCZTQSA-N 1 3 340.556 2.725 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000571433355 478595532 /nfs/dbraw/zinc/59/55/32/478595532.db2.gz ZIVLIKGZOROJIE-KCXAZCMYSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000571433355 478595542 /nfs/dbraw/zinc/59/55/42/478595542.db2.gz ZIVLIKGZOROJIE-KCXAZCMYSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000571437473 478597518 /nfs/dbraw/zinc/59/75/18/478597518.db2.gz XPGSHOAKOGGYHB-YSHGAJCASA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000571504960 478611623 /nfs/dbraw/zinc/61/16/23/478611623.db2.gz CDBVFQADQCMTGN-MRXNPFEDSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000571504960 478611634 /nfs/dbraw/zinc/61/16/34/478611634.db2.gz CDBVFQADQCMTGN-MRXNPFEDSA-N 1 3 344.503 2.966 20 0 EFADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759482 478621485 /nfs/dbraw/zinc/62/14/85/478621485.db2.gz UBWCWMZWCBCCTK-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759482 478621491 /nfs/dbraw/zinc/62/14/91/478621491.db2.gz UBWCWMZWCBCCTK-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759482 478621493 /nfs/dbraw/zinc/62/14/93/478621493.db2.gz UBWCWMZWCBCCTK-NCXUSEDFSA-N 1 3 334.529 2.601 20 0 EFADHO CC[NH+](CC)CCCNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496249270 478637530 /nfs/dbraw/zinc/63/75/30/478637530.db2.gz UFCILWQVKABUTH-UHFFFAOYSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(CC)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496249270 478637536 /nfs/dbraw/zinc/63/75/36/478637536.db2.gz UFCILWQVKABUTH-UHFFFAOYSA-N 1 3 325.497 2.707 20 0 EFADHO CC(C)N1CCCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000582609227 478641900 /nfs/dbraw/zinc/64/19/00/478641900.db2.gz JDLLMVIJEDLNOW-UHFFFAOYSA-N 1 3 342.487 2.546 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000563880559 478653578 /nfs/dbraw/zinc/65/35/78/478653578.db2.gz XFQCTSRLQIVMMT-ZFWWWQNUSA-N 1 3 330.501 2.982 20 0 EFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564064962 478688072 /nfs/dbraw/zinc/68/80/72/478688072.db2.gz CJGRFSQZOAETGB-IEZWGBDMSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](NC(=O)NC[C@H](N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564064962 478688079 /nfs/dbraw/zinc/68/80/79/478688079.db2.gz CJGRFSQZOAETGB-IEZWGBDMSA-N 1 3 344.503 2.639 20 0 EFADHO CN(C)C(=O)CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000564096937 478693671 /nfs/dbraw/zinc/69/36/71/478693671.db2.gz SMDXMFWXTCFXON-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO CN(C)C(=O)CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000564096937 478693679 /nfs/dbraw/zinc/69/36/79/478693679.db2.gz SMDXMFWXTCFXON-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868855 478695377 /nfs/dbraw/zinc/69/53/77/478695377.db2.gz XVDJIOHFTIVWIN-WSTZPKSXSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868855 478695382 /nfs/dbraw/zinc/69/53/82/478695382.db2.gz XVDJIOHFTIVWIN-WSTZPKSXSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571916331 478707252 /nfs/dbraw/zinc/70/72/52/478707252.db2.gz WGAWMFFJGCZONY-QFBILLFUSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571916331 478707261 /nfs/dbraw/zinc/70/72/61/478707261.db2.gz WGAWMFFJGCZONY-QFBILLFUSA-N 1 3 329.488 2.502 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC(C[N@H+](C)C(C)C)CC1 ZINC000542923805 478708351 /nfs/dbraw/zinc/70/83/51/478708351.db2.gz KVAOEGHHCUQNRP-UHFFFAOYSA-N 1 3 348.487 2.904 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000542923805 478708356 /nfs/dbraw/zinc/70/83/56/478708356.db2.gz KVAOEGHHCUQNRP-UHFFFAOYSA-N 1 3 348.487 2.904 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1c(F)cccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000571991976 478724214 /nfs/dbraw/zinc/72/42/14/478724214.db2.gz GJKXPVYOZBZZIV-MELADBBJSA-N 1 3 328.859 2.608 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3cccs3)CC2)C1 ZINC000582952331 478726237 /nfs/dbraw/zinc/72/62/37/478726237.db2.gz SOZMHRLIPFBQNR-JKSUJKDBSA-N 1 3 346.500 2.857 20 0 EFADHO CCOCC[C@H](O)CNCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000582959502 478726702 /nfs/dbraw/zinc/72/67/02/478726702.db2.gz CPCYRKPNPKGJFQ-FQEVSTJZSA-N 1 3 334.504 2.940 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491893869 478727229 /nfs/dbraw/zinc/72/72/29/478727229.db2.gz PYBJXQULLYCXOS-FUBFTIANSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491893869 478727238 /nfs/dbraw/zinc/72/72/38/478727238.db2.gz PYBJXQULLYCXOS-FUBFTIANSA-N 1 3 343.515 2.899 20 0 EFADHO CC[NH+](CC)CC1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528348731 478730057 /nfs/dbraw/zinc/73/00/57/478730057.db2.gz FHTKKJBBUMYUFG-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572130975 478760658 /nfs/dbraw/zinc/76/06/58/478760658.db2.gz SXTFKMLXIXRDGF-OAHLLOKOSA-N 1 3 344.503 2.964 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572130975 478760666 /nfs/dbraw/zinc/76/06/66/478760666.db2.gz SXTFKMLXIXRDGF-OAHLLOKOSA-N 1 3 344.503 2.964 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000543680320 478765183 /nfs/dbraw/zinc/76/51/83/478765183.db2.gz RATWQAGDVKKZKX-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000499314687 478775634 /nfs/dbraw/zinc/77/56/34/478775634.db2.gz UYGOUTSFFRECJU-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000543755049 478784114 /nfs/dbraw/zinc/78/41/14/478784114.db2.gz PRYJONSAIKMILG-SJORKVTESA-N 1 3 343.519 2.688 20 0 EFADHO C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000583193020 478788730 /nfs/dbraw/zinc/78/87/30/478788730.db2.gz KWDSFGNIHFYIQF-WDSOQIARSA-N 1 3 344.503 2.511 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@H]3CC(C)C)CC2)CC1 ZINC000583273165 478809657 /nfs/dbraw/zinc/80/96/57/478809657.db2.gz HQZAADQRYYQTGZ-IEBWSBKVSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H](CNC[C@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000564843549 478829011 /nfs/dbraw/zinc/82/90/11/478829011.db2.gz AJNOJFYLUVDSNN-GOEBONIOSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000564843549 478829025 /nfs/dbraw/zinc/82/90/25/478829025.db2.gz AJNOJFYLUVDSNN-GOEBONIOSA-N 1 3 344.421 2.930 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N1CCN(C)CC[C@H]1C)[NH+]1CCCC1 ZINC000502964553 478834647 /nfs/dbraw/zinc/83/46/47/478834647.db2.gz HOHJADRDEPQQOI-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000583488219 478862547 /nfs/dbraw/zinc/86/25/47/478862547.db2.gz ALQHEJBAJZKSMC-IBGZPJMESA-N 1 3 336.439 2.686 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000572541673 478863026 /nfs/dbraw/zinc/86/30/26/478863026.db2.gz FYVKYPVUZWSETI-WOPDTQHZSA-N 1 3 333.259 2.593 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)c(C)c1 ZINC000505342157 478863986 /nfs/dbraw/zinc/86/39/86/478863986.db2.gz FTHUKSFVCBRZRK-QGZVFWFLSA-N 1 3 335.467 2.622 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(F)c(C)c1 ZINC000505342157 478863991 /nfs/dbraw/zinc/86/39/91/478863991.db2.gz FTHUKSFVCBRZRK-QGZVFWFLSA-N 1 3 335.467 2.622 20 0 EFADHO CC(C)C[C@@H](N)C[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602633 478878001 /nfs/dbraw/zinc/87/80/01/478878001.db2.gz ZIHYQAUSHVDGJN-IEBWSBKVSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)C[C@@H](N)C[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602633 478878008 /nfs/dbraw/zinc/87/80/08/478878008.db2.gz ZIHYQAUSHVDGJN-IEBWSBKVSA-N 1 3 349.494 2.917 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000565038210 478893276 /nfs/dbraw/zinc/89/32/76/478893276.db2.gz LXWSXJMVNRVQRG-RBUKOAKNSA-N 1 3 344.503 2.535 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719547 478896035 /nfs/dbraw/zinc/89/60/35/478896035.db2.gz JGDJFZUAQMJAPB-KRWDZBQOSA-N 1 3 346.475 2.555 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528719547 478896041 /nfs/dbraw/zinc/89/60/41/478896041.db2.gz JGDJFZUAQMJAPB-KRWDZBQOSA-N 1 3 346.475 2.555 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000565046087 478896380 /nfs/dbraw/zinc/89/63/80/478896380.db2.gz BLQDMHCPAHOVIK-IJEWVQPXSA-N 1 3 327.432 2.514 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc(Br)c1OC ZINC000572702431 478899344 /nfs/dbraw/zinc/89/93/44/478899344.db2.gz HCMGVGPLQWGIAP-VXGBXAGGSA-N 1 3 343.265 2.826 20 0 EFADHO NC[C@H](C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713202 478901774 /nfs/dbraw/zinc/90/17/74/478901774.db2.gz QIBDXWFHRPTALI-LSDHHAIUSA-N 1 3 330.407 2.618 20 0 EFADHO NC[C@H](C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713202 478901782 /nfs/dbraw/zinc/90/17/82/478901782.db2.gz QIBDXWFHRPTALI-LSDHHAIUSA-N 1 3 330.407 2.618 20 0 EFADHO CSCC[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nnc2ccccn21 ZINC000592469505 478906299 /nfs/dbraw/zinc/90/62/99/478906299.db2.gz RYNLZXXMPJNNML-QXSJWSMHSA-N 1 3 345.516 2.501 20 0 EFADHO C[C@@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000572749611 478911020 /nfs/dbraw/zinc/91/10/20/478911020.db2.gz YOLOSVKIDUTYJK-ZJUUUORDSA-N 1 3 336.789 2.753 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000583797836 478944551 /nfs/dbraw/zinc/94/45/51/478944551.db2.gz WHJHKZIESLAPKQ-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000565208480 478951415 /nfs/dbraw/zinc/95/14/15/478951415.db2.gz DPGRVYQJIGVZHU-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@@H]1C ZINC000572942456 478955508 /nfs/dbraw/zinc/95/55/08/478955508.db2.gz RBMRBCHOBMBRDP-GOEBONIOSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@@H]1C ZINC000572942456 478955511 /nfs/dbraw/zinc/95/55/11/478955511.db2.gz RBMRBCHOBMBRDP-GOEBONIOSA-N 1 3 330.476 2.669 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2ccccc2C(F)(F)F)C1 ZINC000565226645 478957218 /nfs/dbraw/zinc/95/72/18/478957218.db2.gz PQOXZIZYQXTMGK-YUELXQCFSA-N 1 3 330.394 2.716 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc2c1CCNC2 ZINC000565244415 478962202 /nfs/dbraw/zinc/96/22/02/478962202.db2.gz DAMNFZBMQHNMRG-HNNXBMFYSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000510683521 478970999 /nfs/dbraw/zinc/97/09/99/478970999.db2.gz GRDHPDLDTVQQFZ-CVEARBPZSA-N 1 3 340.458 2.968 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573088251 478989598 /nfs/dbraw/zinc/98/95/98/478989598.db2.gz JHHRRMHLZKOMSX-ZHALLVOQSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512546729 479000472 /nfs/dbraw/zinc/00/04/72/479000472.db2.gz XKKUNDUKJKCIDW-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512546729 479000481 /nfs/dbraw/zinc/00/04/81/479000481.db2.gz XKKUNDUKJKCIDW-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@](C)(CC)C3)CC2)CC1 ZINC000573134648 479000623 /nfs/dbraw/zinc/00/06/23/479000623.db2.gz PHGVRZRUCNVNPW-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550970 479000733 /nfs/dbraw/zinc/00/07/33/479000733.db2.gz PNEIVAYAMHNJNJ-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550970 479000740 /nfs/dbraw/zinc/00/07/40/479000740.db2.gz PNEIVAYAMHNJNJ-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(F)cc1 ZINC000584047488 479003784 /nfs/dbraw/zinc/00/37/84/479003784.db2.gz GUPISGBORJSJKA-PWXKEOIMSA-N 1 3 343.450 2.754 20 0 EFADHO CN1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000514564098 479025918 /nfs/dbraw/zinc/02/59/18/479025918.db2.gz VDVUKYNJAJFEPH-UHFFFAOYSA-N 1 3 336.524 2.522 20 0 EFADHO c1c(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccn12 ZINC000584166898 479036683 /nfs/dbraw/zinc/03/66/83/479036683.db2.gz NJUDNNGNPBCYBK-WIYYLYMNSA-N 1 3 348.450 2.722 20 0 EFADHO C[C@@H](NC[C@H](O)COCc1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000565594617 479042668 /nfs/dbraw/zinc/04/26/68/479042668.db2.gz RKWLCSGOWDUHMI-ZBFHGGJFSA-N 1 3 342.911 2.783 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000573385779 479054418 /nfs/dbraw/zinc/05/44/18/479054418.db2.gz JFQBDSRVRKZYDS-XLIONFOSSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000514848164 479075660 /nfs/dbraw/zinc/07/56/60/479075660.db2.gz ITQSZKZDNWDCGG-IRXDYDNUSA-N 1 3 344.503 2.511 20 0 EFADHO COC(=O)c1ccc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000602004059 479129925 /nfs/dbraw/zinc/12/99/25/479129925.db2.gz JYWQQRKMQXVFCM-IYBDPMFKSA-N 1 3 335.492 2.659 20 0 EFADHO COC(=O)c1ccc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1C ZINC000602004059 479129929 /nfs/dbraw/zinc/12/99/29/479129929.db2.gz JYWQQRKMQXVFCM-IYBDPMFKSA-N 1 3 335.492 2.659 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000573728954 479132058 /nfs/dbraw/zinc/13/20/58/479132058.db2.gz ZMNHUJBRFBDSHH-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000573728954 479132064 /nfs/dbraw/zinc/13/20/64/479132064.db2.gz ZMNHUJBRFBDSHH-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCCN1CCN(C)CC1 ZINC000515290607 479140550 /nfs/dbraw/zinc/14/05/50/479140550.db2.gz ZYLJVEATYIWIPQ-QGZVFWFLSA-N 1 3 329.488 2.981 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000584480383 479152482 /nfs/dbraw/zinc/15/24/82/479152482.db2.gz ZMGNXWIYRASOHL-HZSPNIEDSA-N 1 3 325.403 2.726 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000584480386 479153288 /nfs/dbraw/zinc/15/32/88/479153288.db2.gz ZMGNXWIYRASOHL-RDBSUJKOSA-N 1 3 325.403 2.726 20 0 EFADHO C[C@]1(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000569694281 479158427 /nfs/dbraw/zinc/15/84/27/479158427.db2.gz GNMVMQDFRIKKDX-ICSRJNTNSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000515387074 479159808 /nfs/dbraw/zinc/15/98/08/479159808.db2.gz YYEGPAKZULWZKN-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000515387074 479159820 /nfs/dbraw/zinc/15/98/20/479159820.db2.gz YYEGPAKZULWZKN-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C2CCC2)cc1 ZINC000584522839 479162864 /nfs/dbraw/zinc/16/28/64/479162864.db2.gz FDTAFYZCQWXTQF-UHFFFAOYSA-N 1 3 346.519 2.589 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000574010841 479193887 /nfs/dbraw/zinc/19/38/87/479193887.db2.gz CSAFWAQNBGHJBY-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000574010841 479193891 /nfs/dbraw/zinc/19/38/91/479193891.db2.gz CSAFWAQNBGHJBY-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000569908940 479206110 /nfs/dbraw/zinc/20/61/10/479206110.db2.gz MBIXHHYNGXDIRW-QGZVFWFLSA-N 1 3 331.504 2.613 20 0 EFADHO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000569908940 479206117 /nfs/dbraw/zinc/20/61/17/479206117.db2.gz MBIXHHYNGXDIRW-QGZVFWFLSA-N 1 3 331.504 2.613 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCn1c3ccccc3[nH]c1=O)C2 ZINC000556846945 479224049 /nfs/dbraw/zinc/22/40/49/479224049.db2.gz LKUDLUAMTYLPQG-XYPWUTKMSA-N 1 3 328.460 2.689 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCn1c3ccccc3[nH]c1=O)C2 ZINC000556846945 479224052 /nfs/dbraw/zinc/22/40/52/479224052.db2.gz LKUDLUAMTYLPQG-XYPWUTKMSA-N 1 3 328.460 2.689 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000574260459 479251127 /nfs/dbraw/zinc/25/11/27/479251127.db2.gz JMTCYUOODOGUKQ-MJGOQNOKSA-N 1 3 344.503 2.594 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000557164607 479261350 /nfs/dbraw/zinc/26/13/50/479261350.db2.gz SIFUOAKSQPKKEI-QFHJOOASSA-N 1 3 344.503 2.509 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630351 479319135 /nfs/dbraw/zinc/31/91/35/479319135.db2.gz VTYOXJMGLJCPNK-CABZTGNLSA-N 1 3 336.789 2.883 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630351 479319141 /nfs/dbraw/zinc/31/91/41/479319141.db2.gz VTYOXJMGLJCPNK-CABZTGNLSA-N 1 3 336.789 2.883 20 0 EFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000574749324 479341254 /nfs/dbraw/zinc/34/12/54/479341254.db2.gz LPPFHOLKKGMWBH-AUJRIZCKSA-N 1 3 341.455 2.730 20 0 EFADHO C[N@H+](C[C@H](O)CNCC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000574750020 479341922 /nfs/dbraw/zinc/34/19/22/479341922.db2.gz HEGHLDPLBYIYIF-OAHLLOKOSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@H](O)CNCC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000574750020 479341929 /nfs/dbraw/zinc/34/19/29/479341929.db2.gz HEGHLDPLBYIYIF-OAHLLOKOSA-N 1 3 338.442 2.821 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000574868797 479362205 /nfs/dbraw/zinc/36/22/05/479362205.db2.gz RVAASOUMFITTMC-HSALFYBXSA-N 1 3 339.487 2.727 20 0 EFADHO c1cnc2cc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2c1 ZINC000603517285 479399728 /nfs/dbraw/zinc/39/97/28/479399728.db2.gz NHFHWURMAWLQSE-IBGZPJMESA-N 1 3 325.456 2.968 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000575177763 479415442 /nfs/dbraw/zinc/41/54/42/479415442.db2.gz WMOHCAJVJWIHPU-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000575177763 479415447 /nfs/dbraw/zinc/41/54/47/479415447.db2.gz WMOHCAJVJWIHPU-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC=CCC3)CC2)CC1 ZINC000575455161 479446554 /nfs/dbraw/zinc/44/65/54/479446554.db2.gz MSKCLSMWXRHGCK-KRWDZBQOSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604184435 479482079 /nfs/dbraw/zinc/48/20/79/479482079.db2.gz VCXSVKOYECWLAX-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000604203100 479485385 /nfs/dbraw/zinc/48/53/85/479485385.db2.gz KMUVAPJTIIBMQR-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604205703 479487319 /nfs/dbraw/zinc/48/73/19/479487319.db2.gz PUROGDHZXSMAKO-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000604205703 479487324 /nfs/dbraw/zinc/48/73/24/479487324.db2.gz PUROGDHZXSMAKO-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@@H](N)c1ccccc1 ZINC000575921825 479502033 /nfs/dbraw/zinc/50/20/33/479502033.db2.gz TXRQDFRXIQHJLN-QGTPRVQTSA-N 1 3 329.488 2.559 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000575970663 479513272 /nfs/dbraw/zinc/51/32/72/479513272.db2.gz IHPNXZNUWXQHHY-PKOBYXMFSA-N 1 3 340.471 2.795 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418254 479516165 /nfs/dbraw/zinc/51/61/65/479516165.db2.gz NTQZQICNRJJZHN-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418254 479516169 /nfs/dbraw/zinc/51/61/69/479516169.db2.gz NTQZQICNRJJZHN-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)[C@H](C)C1 ZINC000604418254 479516175 /nfs/dbraw/zinc/51/61/75/479516175.db2.gz NTQZQICNRJJZHN-NVXWUHKLSA-N 1 3 330.476 2.790 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000576015119 479523237 /nfs/dbraw/zinc/52/32/37/479523237.db2.gz LUWKZWJNLXKKMM-SJORKVTESA-N 1 3 344.503 2.592 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000618662497 479539416 /nfs/dbraw/zinc/53/94/16/479539416.db2.gz ZMFQKNFEXRJBHK-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000618662497 479539426 /nfs/dbraw/zinc/53/94/26/479539426.db2.gz ZMFQKNFEXRJBHK-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000618664002 479542567 /nfs/dbraw/zinc/54/25/67/479542567.db2.gz OMECWZAYEXZJHA-VQIMIIECSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000618664002 479542574 /nfs/dbraw/zinc/54/25/74/479542574.db2.gz OMECWZAYEXZJHA-VQIMIIECSA-N 1 3 333.520 2.917 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@H]2CNCc3ccccc32)CCCCCC1 ZINC000576155947 479551918 /nfs/dbraw/zinc/55/19/18/479551918.db2.gz OJGDBBNGQBIUFS-SFHVURJKSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576172857 479556514 /nfs/dbraw/zinc/55/65/14/479556514.db2.gz KZMKIKXJPNQAOX-QZTJIDSGSA-N 1 3 345.531 2.928 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000576174015 479557279 /nfs/dbraw/zinc/55/72/79/479557279.db2.gz QCWDMSPBNUVRRV-KRWDZBQOSA-N 1 3 338.540 2.657 20 0 EFADHO COc1cc(C)c(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000576251378 479576410 /nfs/dbraw/zinc/57/64/10/479576410.db2.gz PNIFEMBQNNGBQA-XLIONFOSSA-N 1 3 348.487 2.731 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]1SC ZINC000597192039 479613850 /nfs/dbraw/zinc/61/38/50/479613850.db2.gz PMENNORCNZYQBG-QRVBRYPASA-N 1 3 349.544 2.792 20 0 EFADHO COc1cc([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)ccn1 ZINC000578951872 479634823 /nfs/dbraw/zinc/63/48/23/479634823.db2.gz PQIACPUKUDOXPL-BMGDILEWSA-N 1 3 333.476 2.509 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000590353242 479635392 /nfs/dbraw/zinc/63/53/92/479635392.db2.gz BFTZFZYFPJRPQX-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000615318169 479655403 /nfs/dbraw/zinc/65/54/03/479655403.db2.gz IYDZPUDADKAOHJ-QFBILLFUSA-N 1 3 329.488 2.837 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000605988584 479673188 /nfs/dbraw/zinc/67/31/88/479673188.db2.gz NYWXHFSJEBPKOT-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000605988584 479673192 /nfs/dbraw/zinc/67/31/92/479673192.db2.gz NYWXHFSJEBPKOT-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000605988591 479673631 /nfs/dbraw/zinc/67/36/31/479673631.db2.gz NYWXHFSJEBPKOT-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(C2CCCC2)CC1 ZINC000605988591 479673637 /nfs/dbraw/zinc/67/36/37/479673637.db2.gz NYWXHFSJEBPKOT-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615440076 479673609 /nfs/dbraw/zinc/67/36/09/479673609.db2.gz JIFVJSCRXYHNKP-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1C[C@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000606447613 479688232 /nfs/dbraw/zinc/68/82/32/479688232.db2.gz PLDNJTGQOABGQN-YLJYHZDGSA-N 1 3 339.483 2.870 20 0 EFADHO C[C@@H]1C[C@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000606447613 479688235 /nfs/dbraw/zinc/68/82/35/479688235.db2.gz PLDNJTGQOABGQN-YLJYHZDGSA-N 1 3 339.483 2.870 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000612559715 479692315 /nfs/dbraw/zinc/69/23/15/479692315.db2.gz LMFQWESASORFDA-GOSISDBHSA-N 1 3 340.556 2.726 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)NCC2(N(C)C)CCC2)CC1 ZINC000633177810 479701131 /nfs/dbraw/zinc/70/11/31/479701131.db2.gz DJNUFGKPYXNAME-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[N@H+](C)C1CC1 ZINC000606676488 479720732 /nfs/dbraw/zinc/72/07/32/479720732.db2.gz DEQDTRBGKUDTHD-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000606676488 479720738 /nfs/dbraw/zinc/72/07/38/479720738.db2.gz DEQDTRBGKUDTHD-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000606704488 479728284 /nfs/dbraw/zinc/72/82/84/479728284.db2.gz HNRYXBJOMDGQPY-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000606704488 479728291 /nfs/dbraw/zinc/72/82/91/479728291.db2.gz HNRYXBJOMDGQPY-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000630840746 479737539 /nfs/dbraw/zinc/73/75/39/479737539.db2.gz FVSCGABLVGNDJK-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000630840746 479737544 /nfs/dbraw/zinc/73/75/44/479737544.db2.gz FVSCGABLVGNDJK-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO NC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000621656587 479739567 /nfs/dbraw/zinc/73/95/67/479739567.db2.gz SMXGWBLVWJSNKS-DNVCBOLYSA-N 1 3 325.456 2.736 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606841527 479739718 /nfs/dbraw/zinc/73/97/18/479739718.db2.gz YIKKHYAIKZKIND-ICSRJNTNSA-N 1 3 345.531 2.973 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000606841527 479739722 /nfs/dbraw/zinc/73/97/22/479739722.db2.gz YIKKHYAIKZKIND-ICSRJNTNSA-N 1 3 345.531 2.973 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000621659187 479740641 /nfs/dbraw/zinc/74/06/41/479740641.db2.gz BNIBYMHMHFIXGJ-RHSMWYFYSA-N 1 3 337.895 2.839 20 0 EFADHO CC1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000621681464 479750965 /nfs/dbraw/zinc/75/09/65/479750965.db2.gz SEULKXIIXZDUIF-RXVVDRJESA-N 1 3 341.499 2.629 20 0 EFADHO CCC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000607226634 479790523 /nfs/dbraw/zinc/79/05/23/479790523.db2.gz QIKZIPGDBGWVFX-SFHVURJKSA-N 1 3 334.508 2.663 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612971410 479823131 /nfs/dbraw/zinc/82/31/31/479823131.db2.gz OOMLNYSDEKNKFG-NVXWUHKLSA-N 1 3 344.503 2.557 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616154905 479837408 /nfs/dbraw/zinc/83/74/08/479837408.db2.gz HUTPZKPULDXGLE-UXHICEINSA-N 1 3 343.515 2.807 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000616154902 479838093 /nfs/dbraw/zinc/83/80/93/479838093.db2.gz HUTPZKPULDXGLE-PMACEKPBSA-N 1 3 343.515 2.807 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000631043800 479854926 /nfs/dbraw/zinc/85/49/26/479854926.db2.gz AQBBBRBNQYKQRX-KRWDZBQOSA-N 1 3 331.504 2.986 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CNCc2ccc(=O)[nH]c2)cc1 ZINC000631047470 479856990 /nfs/dbraw/zinc/85/69/90/479856990.db2.gz OLSSSIHKYSFBBP-UHFFFAOYSA-N 1 3 329.444 2.798 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000631566729 480157650 /nfs/dbraw/zinc/15/76/50/480157650.db2.gz RJIOUOOFGQVBSE-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000631576886 480163347 /nfs/dbraw/zinc/16/33/47/480163347.db2.gz DEUPBEKGPFMDKE-UFYCRDLUSA-N 1 3 344.499 2.717 20 0 EFADHO CN(C)C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000631660618 480203833 /nfs/dbraw/zinc/20/38/33/480203833.db2.gz SVHURIDCGNIPBW-MRXNPFEDSA-N 1 3 329.410 2.992 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000631664161 480205097 /nfs/dbraw/zinc/20/50/97/480205097.db2.gz MGHZXOJQRWYLII-MJGOQNOKSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C2CC2)CC1 ZINC000631664160 480205323 /nfs/dbraw/zinc/20/53/23/480205323.db2.gz MGHZXOJQRWYLII-IEBWSBKVSA-N 1 3 327.516 2.971 20 0 EFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629405717 480245879 /nfs/dbraw/zinc/24/58/79/480245879.db2.gz LYZQMERULKRGCT-HFTRVMKXSA-N 1 3 345.878 2.892 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@H]2NCc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629405191 480246239 /nfs/dbraw/zinc/24/62/39/480246239.db2.gz HQKWVMNRGKHNPH-CEXWTWQISA-N 1 3 325.460 2.547 20 0 EFADHO Clc1ccccc1[C@@H]1CCC[C@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629405720 480246264 /nfs/dbraw/zinc/24/62/64/480246264.db2.gz LYZQMERULKRGCT-QILLFSRXSA-N 1 3 345.878 2.892 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623356975 480247977 /nfs/dbraw/zinc/24/79/77/480247977.db2.gz ROLIZGLFLZLVLJ-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2csc(C(F)(F)F)c2)CC1 ZINC000623404694 480266726 /nfs/dbraw/zinc/26/67/26/480266726.db2.gz HHYONULFJMFBPQ-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CN1CCC[N@H+](CCCNCc2csc(C(F)(F)F)c2)CC1 ZINC000623404694 480266721 /nfs/dbraw/zinc/26/67/21/480266721.db2.gz HHYONULFJMFBPQ-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C)(F)CC3)CC2)CC1 ZINC000634361152 480274841 /nfs/dbraw/zinc/27/48/41/480274841.db2.gz QLMNHBUBOQENPG-UHFFFAOYSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000631827552 480287877 /nfs/dbraw/zinc/28/78/77/480287877.db2.gz QKDROFJUIXUFQV-RWQQGDIJSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000631827550 480287994 /nfs/dbraw/zinc/28/79/94/480287994.db2.gz QKDROFJUIXUFQV-FPAYPSAMSA-N 1 3 329.488 2.574 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CCSCC2)CC1 ZINC000631836557 480291927 /nfs/dbraw/zinc/29/19/27/480291927.db2.gz BHNUWIHGJADSGD-ROUUACIJSA-N 1 3 334.529 2.527 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CCSCC2)CC1 ZINC000631836557 480291931 /nfs/dbraw/zinc/29/19/31/480291931.db2.gz BHNUWIHGJADSGD-ROUUACIJSA-N 1 3 334.529 2.527 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521262 480293786 /nfs/dbraw/zinc/29/37/86/480293786.db2.gz OQQCWVRORMKARC-OLMNPRSZSA-N 1 3 337.895 2.523 20 0 EFADHO Cc1cncc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000629549208 480301433 /nfs/dbraw/zinc/30/14/33/480301433.db2.gz SRSPXOJXMHCONZ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1cncc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000629549208 480301441 /nfs/dbraw/zinc/30/14/41/480301441.db2.gz SRSPXOJXMHCONZ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21)CN1CCCC1 ZINC000629558615 480305882 /nfs/dbraw/zinc/30/58/82/480305882.db2.gz KNHZXXCSUWXGSO-RHSMWYFYSA-N 1 3 340.414 2.712 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCC1 ZINC000629558505 480306033 /nfs/dbraw/zinc/30/60/33/480306033.db2.gz ITDLYTFPANHDLD-WFASDCNBSA-N 1 3 331.287 2.971 20 0 EFADHO O[C@@H](CNCCCO[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000629566169 480312124 /nfs/dbraw/zinc/31/21/24/480312124.db2.gz MOZUAVFSPFYTOG-AZUAARDMSA-N 1 3 332.488 2.517 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC[C@H](O)C[NH+]2CCCC2)N(C)C)cc1 ZINC000629581319 480315322 /nfs/dbraw/zinc/31/53/22/480315322.db2.gz WBKDKYRXCDOCTQ-LEWJYISDSA-N 1 3 347.547 2.534 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103386 480333870 /nfs/dbraw/zinc/33/38/70/480333870.db2.gz AUNXGVCXKXVICF-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCCCC1 ZINC000621103386 480333874 /nfs/dbraw/zinc/33/38/74/480333874.db2.gz AUNXGVCXKXVICF-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000629648063 480342250 /nfs/dbraw/zinc/34/22/50/480342250.db2.gz GEPKKRIVUKBEIT-ICSRJNTNSA-N 1 3 328.456 2.681 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629647822 480342264 /nfs/dbraw/zinc/34/22/64/480342264.db2.gz BGZOWXFNPQSCKI-ICSRJNTNSA-N 1 3 328.456 2.681 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)N(C)C)cc1 ZINC000623566161 480342656 /nfs/dbraw/zinc/34/26/56/480342656.db2.gz ISOUQNOJKFXFFV-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)N(C)C)cc1 ZINC000623566161 480342665 /nfs/dbraw/zinc/34/26/65/480342665.db2.gz ISOUQNOJKFXFFV-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO CNCC(=O)Nc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)cn1 ZINC000629702973 480362473 /nfs/dbraw/zinc/36/24/73/480362473.db2.gz YKOSRLJBUWZDGZ-OAHLLOKOSA-N 1 3 338.455 2.891 20 0 EFADHO CNCC(=O)Nc1ccc(-c2ccc(C[N@H+]3CCC[C@H]3C)cc2)cn1 ZINC000629702973 480362477 /nfs/dbraw/zinc/36/24/77/480362477.db2.gz YKOSRLJBUWZDGZ-OAHLLOKOSA-N 1 3 338.455 2.891 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635455843 480392059 /nfs/dbraw/zinc/39/20/59/480392059.db2.gz HKCKLMAPVJDJJB-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1C ZINC000640469157 480395754 /nfs/dbraw/zinc/39/57/54/480395754.db2.gz CDRKIKIOOQUDMB-OAHLLOKOSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccsc1C ZINC000640469157 480395764 /nfs/dbraw/zinc/39/57/64/480395764.db2.gz CDRKIKIOOQUDMB-OAHLLOKOSA-N 1 3 338.521 2.936 20 0 EFADHO C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000644527104 480417498 /nfs/dbraw/zinc/41/74/98/480417498.db2.gz ZICHMNOCNKVBAH-UYAOXDASSA-N 1 3 347.547 2.579 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc2ccccc21 ZINC000644531743 480420272 /nfs/dbraw/zinc/42/02/72/480420272.db2.gz AMYNGKCLUOKWBF-LPHOPBHVSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531743 480420274 /nfs/dbraw/zinc/42/02/74/480420274.db2.gz AMYNGKCLUOKWBF-LPHOPBHVSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531743 480420278 /nfs/dbraw/zinc/42/02/78/480420278.db2.gz AMYNGKCLUOKWBF-LPHOPBHVSA-N 1 3 340.467 2.653 20 0 EFADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000634680264 480426778 /nfs/dbraw/zinc/42/67/78/480426778.db2.gz OXLIMHPHXRPCSH-GOSISDBHSA-N 1 3 332.488 2.691 20 0 EFADHO CO[C@H](CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976953 480434795 /nfs/dbraw/zinc/43/47/95/480434795.db2.gz FOBWDAANWOUJKU-UYAOXDASSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@H](C[N@@H+]1CCC[C@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976953 480434803 /nfs/dbraw/zinc/43/48/03/480434803.db2.gz FOBWDAANWOUJKU-UYAOXDASSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@H](C[N@H+]1CCC[C@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976953 480434813 /nfs/dbraw/zinc/43/48/13/480434813.db2.gz FOBWDAANWOUJKU-UYAOXDASSA-N 1 3 338.536 2.872 20 0 EFADHO Cc1csc2nc(CN(C)CCCC[NH+]3CCCCC3)cc(=O)n12 ZINC000640534017 480438226 /nfs/dbraw/zinc/43/82/26/480438226.db2.gz ZQSSGHZRIRHMAA-UHFFFAOYSA-N 1 3 348.516 2.762 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 ZINC000634698197 480439289 /nfs/dbraw/zinc/43/92/89/480439289.db2.gz DFGMVOHUBZLIEW-HNNXBMFYSA-N 1 3 347.286 2.807 20 0 EFADHO O[C@]1(CNCCOC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701345 480440877 /nfs/dbraw/zinc/44/08/77/480440877.db2.gz OBRYPZHGXMHPDC-FQEVSTJZSA-N 1 3 332.488 2.562 20 0 EFADHO O[C@]1(CNCCOC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701345 480440884 /nfs/dbraw/zinc/44/08/84/480440884.db2.gz OBRYPZHGXMHPDC-FQEVSTJZSA-N 1 3 332.488 2.562 20 0 EFADHO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000644583823 480452953 /nfs/dbraw/zinc/45/29/53/480452953.db2.gz PDTHBMSCWGQNGQ-BZUAXINKSA-N 1 3 338.517 2.611 20 0 EFADHO C[NH+](C)Cc1ccc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000634717369 480460509 /nfs/dbraw/zinc/46/05/09/480460509.db2.gz KIVCJVYQMKVNAI-NRFANRHFSA-N 1 3 339.483 2.797 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)C1CCC1 ZINC000629950323 480466851 /nfs/dbraw/zinc/46/68/51/480466851.db2.gz ZCSQBVGANIJNGD-UHFFFAOYSA-N 1 3 341.499 2.520 20 0 EFADHO CN(CC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)C1CCC1 ZINC000629950323 480466857 /nfs/dbraw/zinc/46/68/57/480466857.db2.gz ZCSQBVGANIJNGD-UHFFFAOYSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623832294 480476298 /nfs/dbraw/zinc/47/62/98/480476298.db2.gz UZCDPFFELYFDPU-RDJZCZTQSA-N 1 3 325.447 2.826 20 0 EFADHO C[C@H]1C[C@@H](NCCN(C)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623832294 480476305 /nfs/dbraw/zinc/47/63/05/480476305.db2.gz UZCDPFFELYFDPU-RDJZCZTQSA-N 1 3 325.447 2.826 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629963533 480477062 /nfs/dbraw/zinc/47/70/62/480477062.db2.gz ONPRXBXIOUSSBA-FXAWDEMLSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629963533 480477065 /nfs/dbraw/zinc/47/70/65/480477065.db2.gz ONPRXBXIOUSSBA-FXAWDEMLSA-N 1 3 343.515 2.982 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000629963959 480478794 /nfs/dbraw/zinc/47/87/94/480478794.db2.gz YUGVRVAZXSGGOV-RDTXWAMCSA-N 1 3 335.517 2.732 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC1 ZINC000629963959 480478803 /nfs/dbraw/zinc/47/88/03/480478803.db2.gz YUGVRVAZXSGGOV-RDTXWAMCSA-N 1 3 335.517 2.732 20 0 EFADHO CCOc1cncc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000621371096 480479918 /nfs/dbraw/zinc/47/99/18/480479918.db2.gz YZRISQOVKTXNBB-UHFFFAOYSA-N 1 3 340.471 2.877 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000626710654 480483285 /nfs/dbraw/zinc/48/32/85/480483285.db2.gz MKRPOQZIEKWWEG-CEXWTWQISA-N 1 3 343.515 2.568 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000626710654 480483289 /nfs/dbraw/zinc/48/32/89/480483289.db2.gz MKRPOQZIEKWWEG-CEXWTWQISA-N 1 3 343.515 2.568 20 0 EFADHO O=C(CCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000644635947 480488414 /nfs/dbraw/zinc/48/84/14/480488414.db2.gz PJRQGBPCZQYBCI-SFHVURJKSA-N 1 3 338.455 2.522 20 0 EFADHO O=C(CCNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000644635947 480488420 /nfs/dbraw/zinc/48/84/20/480488420.db2.gz PJRQGBPCZQYBCI-SFHVURJKSA-N 1 3 338.455 2.522 20 0 EFADHO COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCC(C)C)N2CCCC2)cc1 ZINC000638048456 480491931 /nfs/dbraw/zinc/49/19/31/480491931.db2.gz DKSQPRYMOZGPKI-RTBURBONSA-N 1 3 347.503 2.712 20 0 EFADHO CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCC1 ZINC000629990879 480497279 /nfs/dbraw/zinc/49/72/79/480497279.db2.gz XVKYCSQJVOVVHT-IBGZPJMESA-N 1 3 343.515 2.888 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CCC1 ZINC000629992236 480499669 /nfs/dbraw/zinc/49/96/69/480499669.db2.gz PHYIMBJFDYVEPQ-OAQYLSRUSA-N 1 3 341.499 2.595 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CCC1 ZINC000629992236 480499676 /nfs/dbraw/zinc/49/96/76/480499676.db2.gz PHYIMBJFDYVEPQ-OAQYLSRUSA-N 1 3 341.499 2.595 20 0 EFADHO COc1cc2c(cc1OC)[C@H](N1CCC(OCC[NH+](C)C)CC1)CC2 ZINC000638061978 480502036 /nfs/dbraw/zinc/50/20/36/480502036.db2.gz OLODJYWFILROOH-GOSISDBHSA-N 1 3 348.487 2.734 20 0 EFADHO CO[C@H](CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066414 480507989 /nfs/dbraw/zinc/50/79/89/480507989.db2.gz GUUCAAKRZMXPKC-TZIWHRDSSA-N 1 3 346.515 2.882 20 0 EFADHO CO[C@H](CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000638066414 480507995 /nfs/dbraw/zinc/50/79/95/480507995.db2.gz GUUCAAKRZMXPKC-TZIWHRDSSA-N 1 3 346.515 2.882 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635620383 480511383 /nfs/dbraw/zinc/51/13/83/480511383.db2.gz WPOZDRVSVNCOIV-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN(Cc1ccccc1)C[C@@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC000644681008 480516349 /nfs/dbraw/zinc/51/63/49/480516349.db2.gz AHSOLGAOZPLAPT-FQEVSTJZSA-N 1 3 327.472 2.653 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000638087561 480523763 /nfs/dbraw/zinc/52/37/63/480523763.db2.gz TXBDCMCDQVKWFV-AZUAARDMSA-N 1 3 345.487 2.768 20 0 EFADHO C[C@@H]1CCN(C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000638104248 480535551 /nfs/dbraw/zinc/53/55/51/480535551.db2.gz ZLPGEVMWYNMEAY-IPJUCJBFSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638112722 480542745 /nfs/dbraw/zinc/54/27/45/480542745.db2.gz KQFBOKQJFSIEBA-LJQANCHMSA-N 1 3 347.503 2.541 20 0 EFADHO COc1cccc(C[C@H](N)C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1 ZINC000638114943 480546108 /nfs/dbraw/zinc/54/61/08/480546108.db2.gz CXZSOFKCEYEFPS-SFHVURJKSA-N 1 3 341.455 2.574 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CN1Cc1ccccc1 ZINC000635674186 480554618 /nfs/dbraw/zinc/55/46/18/480554618.db2.gz BLEQNKHMOHNADY-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H]1CN(Cc2cccc3ncccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638136886 480559889 /nfs/dbraw/zinc/55/98/89/480559889.db2.gz CDIPSVJGBYEXLR-UWJYYQICSA-N 1 3 338.499 2.693 20 0 EFADHO CO[C@]1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176922 480582298 /nfs/dbraw/zinc/58/22/98/480582298.db2.gz IEPDWMVGJMZBSC-NJYVYQBISA-N 1 3 344.499 2.778 20 0 EFADHO CO[C@]1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176922 480582304 /nfs/dbraw/zinc/58/23/04/480582304.db2.gz IEPDWMVGJMZBSC-NJYVYQBISA-N 1 3 344.499 2.778 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635727433 480589788 /nfs/dbraw/zinc/58/97/88/480589788.db2.gz YTHGSKKBOBMBNG-MRXNPFEDSA-N 1 3 346.519 2.701 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635727433 480589793 /nfs/dbraw/zinc/58/97/93/480589793.db2.gz YTHGSKKBOBMBNG-MRXNPFEDSA-N 1 3 346.519 2.701 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1)N(C)C ZINC000638200717 480599176 /nfs/dbraw/zinc/59/91/76/480599176.db2.gz GFFLCYKJJJRMKQ-OTWHNJEPSA-N 1 3 331.504 2.525 20 0 EFADHO CC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000638231379 480615546 /nfs/dbraw/zinc/61/55/46/480615546.db2.gz LMINIWUCVMFXSL-CYBMUJFWSA-N 1 3 345.409 2.594 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119812 480619407 /nfs/dbraw/zinc/61/94/07/480619407.db2.gz KDDBEBMJSNFSGS-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119812 480619413 /nfs/dbraw/zinc/61/94/13/480619413.db2.gz KDDBEBMJSNFSGS-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119812 480619417 /nfs/dbraw/zinc/61/94/17/480619417.db2.gz KDDBEBMJSNFSGS-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO CN(CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CC(C)(C)C ZINC000638255065 480628800 /nfs/dbraw/zinc/62/88/00/480628800.db2.gz HXUWGLFWNOOWBS-FUHWJXTLSA-N 1 3 349.494 2.613 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(CC)CC[NH3+])c1ccc(Cl)cc1 ZINC000627033463 480629424 /nfs/dbraw/zinc/62/94/24/480629424.db2.gz KHLIOLHQMSWEJD-MRXNPFEDSA-N 1 3 340.899 2.713 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(CC)CC[NH3+])N(CC)CC)cc1 ZINC000627044111 480636218 /nfs/dbraw/zinc/63/62/18/480636218.db2.gz ZCMCHHTYUHIHRY-SFHVURJKSA-N 1 3 334.508 2.622 20 0 EFADHO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273926 480639211 /nfs/dbraw/zinc/63/92/11/480639211.db2.gz LZKAENPPMFWFNH-UZLBHIALSA-N 1 3 334.504 2.794 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](c1ccccc1)N(C)C ZINC000635811079 480646235 /nfs/dbraw/zinc/64/62/35/480646235.db2.gz MAMDLPDWHXVJSO-WMZOPIPTSA-N 1 3 329.488 2.670 20 0 EFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)[C@@H]([NH3+])CCC(C)C)cc1 ZINC000638315117 480663078 /nfs/dbraw/zinc/66/30/78/480663078.db2.gz LYWXLUVXSJJYAK-RBUKOAKNSA-N 1 3 347.503 2.712 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000635874230 480679010 /nfs/dbraw/zinc/67/90/10/480679010.db2.gz FKQGQRJKDHZTBF-SFHVURJKSA-N 1 3 331.504 2.603 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC000635874230 480679017 /nfs/dbraw/zinc/67/90/17/480679017.db2.gz FKQGQRJKDHZTBF-SFHVURJKSA-N 1 3 331.504 2.603 20 0 EFADHO COC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000635006253 480683212 /nfs/dbraw/zinc/68/32/12/480683212.db2.gz BBJFWQJWGXDLRS-QGZVFWFLSA-N 1 3 348.397 2.569 20 0 EFADHO Fc1cncc([C@@H](Nc2cc(N3CCNCC3)cc[nH+]2)C2CC2)c1 ZINC000635006688 480684490 /nfs/dbraw/zinc/68/44/90/480684490.db2.gz CHYVMNNMAYMDEE-SFHVURJKSA-N 1 3 327.407 2.589 20 0 EFADHO CC(C)[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635006703 480685397 /nfs/dbraw/zinc/68/53/97/480685397.db2.gz CIDLBJIOBWDKPI-SFHVURJKSA-N 1 3 329.423 2.835 20 0 EFADHO CC(C)[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cn1 ZINC000635006689 480685709 /nfs/dbraw/zinc/68/57/09/480685709.db2.gz CIDLBJIOBWDKPI-GOSISDBHSA-N 1 3 329.423 2.835 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638363764 480685989 /nfs/dbraw/zinc/68/59/89/480685989.db2.gz QUIHWPJTHBGXRF-LBPRGKRZSA-N 1 3 345.318 2.691 20 0 EFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(OC)c1 ZINC000635010823 480686220 /nfs/dbraw/zinc/68/62/20/480686220.db2.gz VYCZUDUQSPHKRL-AWEZNQCLSA-N 1 3 342.443 2.682 20 0 EFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(OC)c1 ZINC000635010824 480686668 /nfs/dbraw/zinc/68/66/68/480686668.db2.gz VYCZUDUQSPHKRL-CQSZACIVSA-N 1 3 342.443 2.682 20 0 EFADHO CCN(CCNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1C ZINC000638365822 480686825 /nfs/dbraw/zinc/68/68/25/480686825.db2.gz IOFPDXVOYFLOFB-UHFFFAOYSA-N 1 3 333.520 2.646 20 0 EFADHO Cc1nc2c(s1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635009273 480686894 /nfs/dbraw/zinc/68/68/94/480686894.db2.gz MUPNHMFNXSGXAB-HNNXBMFYSA-N 1 3 329.473 2.746 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CCOC1 ZINC000638366649 480687138 /nfs/dbraw/zinc/68/71/38/480687138.db2.gz JRTWZYKFZHNLBK-XLIONFOSSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCOC1 ZINC000638366649 480687143 /nfs/dbraw/zinc/68/71/43/480687143.db2.gz JRTWZYKFZHNLBK-XLIONFOSSA-N 1 3 332.488 2.956 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000635014067 480690192 /nfs/dbraw/zinc/69/01/92/480690192.db2.gz LRHSQUCPYWLLHV-IUODEOHRSA-N 1 3 333.863 2.929 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638374750 480692746 /nfs/dbraw/zinc/69/27/46/480692746.db2.gz SLEAEZODZPRDJR-VQIMIIECSA-N 1 3 333.545 2.808 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@@H]2CCCNC(=O)C2)C1 ZINC000638374911 480692821 /nfs/dbraw/zinc/69/28/21/480692821.db2.gz RGMWNEMZEARILT-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000635925362 480707517 /nfs/dbraw/zinc/70/75/17/480707517.db2.gz LSDRTYRVEFPJAB-GOSISDBHSA-N 1 3 333.476 2.577 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000635925362 480707518 /nfs/dbraw/zinc/70/75/18/480707518.db2.gz LSDRTYRVEFPJAB-GOSISDBHSA-N 1 3 333.476 2.577 20 0 EFADHO C[C@H]([NH2+]CCN(C)CC(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000624326549 480710158 /nfs/dbraw/zinc/71/01/58/480710158.db2.gz OMUDFKRECPYSBM-DOTOQJQBSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H](NCCN(C)CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624326549 480710161 /nfs/dbraw/zinc/71/01/61/480710161.db2.gz OMUDFKRECPYSBM-DOTOQJQBSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@H](NCCN(C)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624326549 480710166 /nfs/dbraw/zinc/71/01/66/480710166.db2.gz OMUDFKRECPYSBM-DOTOQJQBSA-N 1 3 325.447 2.684 20 0 EFADHO COc1ccc([C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cn1 ZINC000624347263 480720419 /nfs/dbraw/zinc/72/04/19/480720419.db2.gz AJKVSMBILCZIKU-AZUAARDMSA-N 1 3 345.487 2.774 20 0 EFADHO COc1ccc([C@@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)cn1 ZINC000624347264 480720455 /nfs/dbraw/zinc/72/04/55/480720455.db2.gz AJKVSMBILCZIKU-ICSRJNTNSA-N 1 3 345.487 2.774 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]Cc2ccccc2OCCN(C)C)ccn1 ZINC000638446403 480729419 /nfs/dbraw/zinc/72/94/19/480729419.db2.gz WPJJEOJBOJVVNZ-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638483950 480746874 /nfs/dbraw/zinc/74/68/74/480746874.db2.gz ROWJRKNKIYIWER-UYAOXDASSA-N 1 3 331.504 2.522 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638483950 480746881 /nfs/dbraw/zinc/74/68/81/480746881.db2.gz ROWJRKNKIYIWER-UYAOXDASSA-N 1 3 331.504 2.522 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)c1cccc(OC)c1 ZINC000635189139 480764009 /nfs/dbraw/zinc/76/40/09/480764009.db2.gz PWQQUCPXMFDVJD-GOSISDBHSA-N 1 3 347.503 2.536 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000632899502 480785244 /nfs/dbraw/zinc/78/52/44/480785244.db2.gz TXYOHMMOOJQKRH-HNNXBMFYSA-N 1 3 348.491 2.657 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000638587920 480789666 /nfs/dbraw/zinc/78/96/66/480789666.db2.gz INUQTIVHXBMMQF-HMXCVIKNSA-N 1 3 327.516 2.938 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c(OCCN(C)C)c1 ZINC000632930036 480804285 /nfs/dbraw/zinc/80/42/85/480804285.db2.gz ANCHXXYHKTXEQQ-WKILWMFISA-N 1 3 348.491 2.574 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000632937244 480808572 /nfs/dbraw/zinc/80/85/72/480808572.db2.gz BGIYSUIMZCKFMY-MRXNPFEDSA-N 1 3 332.492 2.690 20 0 EFADHO CO[C@](C)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000638721033 480841677 /nfs/dbraw/zinc/84/16/77/480841677.db2.gz WBFQNPUHLANWEL-HXUWFJFHSA-N 1 3 332.488 2.548 20 0 EFADHO CC(C)O[C@@H](CNCC1(O)CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000638738033 480846713 /nfs/dbraw/zinc/84/67/13/480846713.db2.gz IGPBZEFJCIVEIC-IBGZPJMESA-N 1 3 334.504 2.978 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(COc2ccccc2CN)nn1 ZINC000641169370 480850389 /nfs/dbraw/zinc/85/03/89/480850389.db2.gz LKHRARBIKVESRY-GOSISDBHSA-N 1 3 343.475 2.579 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(COc2ccccc2CN)nn1 ZINC000641169370 480850393 /nfs/dbraw/zinc/85/03/93/480850393.db2.gz LKHRARBIKVESRY-GOSISDBHSA-N 1 3 343.475 2.579 20 0 EFADHO C[C@@H](CC(N)=O)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638760337 480854475 /nfs/dbraw/zinc/85/44/75/480854475.db2.gz OMPLUUXZFSUKEV-JXFKEZNVSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H](CC(N)=O)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638760337 480854480 /nfs/dbraw/zinc/85/44/80/480854480.db2.gz OMPLUUXZFSUKEV-JXFKEZNVSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H](CC(N)=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638760337 480854486 /nfs/dbraw/zinc/85/44/86/480854486.db2.gz OMPLUUXZFSUKEV-JXFKEZNVSA-N 1 3 331.504 2.778 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000645471881 480856977 /nfs/dbraw/zinc/85/69/77/480856977.db2.gz GLZZSNGYDGKUSQ-UHFFFAOYSA-N 1 3 349.478 2.946 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1F ZINC000624650388 480857927 /nfs/dbraw/zinc/85/79/27/480857927.db2.gz UGYMSVTWFSENSD-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccccc1F ZINC000624650388 480857929 /nfs/dbraw/zinc/85/79/29/480857929.db2.gz UGYMSVTWFSENSD-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000645479926 480861365 /nfs/dbraw/zinc/86/13/65/480861365.db2.gz KWNVEMBIOUPMCZ-UXHICEINSA-N 1 3 343.515 2.746 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000638800012 480872096 /nfs/dbraw/zinc/87/20/96/480872096.db2.gz IUAPALYABSIQJE-KRWDZBQOSA-N 1 3 335.451 2.542 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000638800012 480872104 /nfs/dbraw/zinc/87/21/04/480872104.db2.gz IUAPALYABSIQJE-KRWDZBQOSA-N 1 3 335.451 2.542 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NCC2(c3ccc(F)cc3F)CC2)CC1 ZINC000638807272 480877491 /nfs/dbraw/zinc/87/74/91/480877491.db2.gz XSNWUXYZBDUJDU-UHFFFAOYSA-N 1 3 338.442 2.821 20 0 EFADHO CCCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)[C@H]1CCN(C)C1 ZINC000645522203 480880245 /nfs/dbraw/zinc/88/02/45/480880245.db2.gz VLIONRAOXOEBRA-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000633109579 480883813 /nfs/dbraw/zinc/88/38/13/480883813.db2.gz PBZKYTJCBNQMMG-WMZOPIPTSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(N)CCC2)C1 ZINC000645545872 480887864 /nfs/dbraw/zinc/88/78/64/480887864.db2.gz XIRBCSCPZLQOHO-HOTGVXAUSA-N 1 3 329.488 2.662 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850329 480895238 /nfs/dbraw/zinc/89/52/38/480895238.db2.gz DGJSNIRKNAUZJL-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000638861289 480901019 /nfs/dbraw/zinc/90/10/19/480901019.db2.gz SQEYOEFYDGWPOX-GOSISDBHSA-N 1 3 327.472 2.698 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000638862660 480901667 /nfs/dbraw/zinc/90/16/67/480901667.db2.gz YRBSKVGXVSRSAN-UHFFFAOYSA-N 1 3 327.472 2.770 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000638862033 480901798 /nfs/dbraw/zinc/90/17/98/480901798.db2.gz KFGGAQPJCBOQIN-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000638862236 480901824 /nfs/dbraw/zinc/90/18/24/480901824.db2.gz PMEBBHKDAZEHPJ-LJQANCHMSA-N 1 3 341.499 2.740 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc2ccc(F)c(F)c2n1 ZINC000638880924 480905981 /nfs/dbraw/zinc/90/59/81/480905981.db2.gz PEWCJEBOMBONNV-OAHLLOKOSA-N 1 3 337.414 2.959 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000645693194 480915606 /nfs/dbraw/zinc/91/56/06/480915606.db2.gz KAUPAHPXJANVJF-MVJPYGJCSA-N 1 3 341.499 2.574 20 0 EFADHO CO[C@@H](CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC(C)C ZINC000638970691 480922335 /nfs/dbraw/zinc/92/23/35/480922335.db2.gz NLUOCKXKRHXXQX-VQTJNVASSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@@H](CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC(C)C ZINC000638970691 480922337 /nfs/dbraw/zinc/92/23/37/480922337.db2.gz NLUOCKXKRHXXQX-VQTJNVASSA-N 1 3 334.504 2.794 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)cc1 ZINC000639006144 480929137 /nfs/dbraw/zinc/92/91/37/480929137.db2.gz UCHCKXHIFNJELR-VQTJNVASSA-N 1 3 337.467 2.776 20 0 EFADHO C[C@H]([NH3+])CNC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000641504011 480939557 /nfs/dbraw/zinc/93/95/57/480939557.db2.gz ATJXHQOOMALFOY-KRWDZBQOSA-N 1 3 344.503 2.564 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2cccc(F)c2)s1 ZINC000647492851 480963511 /nfs/dbraw/zinc/96/35/11/480963511.db2.gz DRPYDASQJMEPMF-UHFFFAOYSA-N 1 3 333.476 2.891 20 0 EFADHO CCCN(Cc1ccc(OCCN2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000647492624 480963529 /nfs/dbraw/zinc/96/35/29/480963529.db2.gz OHWCZELPLWITKB-LJQANCHMSA-N 1 3 331.504 2.735 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000661370954 480968131 /nfs/dbraw/zinc/96/81/31/480968131.db2.gz VLOHLFBYPBEADX-NZSAHSFTSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000661370954 480968136 /nfs/dbraw/zinc/96/81/36/480968136.db2.gz VLOHLFBYPBEADX-NZSAHSFTSA-N 1 3 348.535 2.710 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000639136710 480980005 /nfs/dbraw/zinc/98/00/05/480980005.db2.gz OWNIHMOUZWCBOJ-IRXDYDNUSA-N 1 3 337.552 2.728 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000647538273 480988384 /nfs/dbraw/zinc/98/83/84/480988384.db2.gz KPQCNTQLLKOHQM-UHFFFAOYSA-N 1 3 336.483 3.152 20 0 EFADHO Nc1ccc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000647538273 480988389 /nfs/dbraw/zinc/98/83/89/480988389.db2.gz KPQCNTQLLKOHQM-UHFFFAOYSA-N 1 3 336.483 3.152 20 0 EFADHO Cn1cc(CCC[NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)cn1 ZINC000639147762 480991601 /nfs/dbraw/zinc/99/16/01/480991601.db2.gz XEAOOJTXIYHSDO-UHFFFAOYSA-N 1 3 342.487 2.616 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543072 480992262 /nfs/dbraw/zinc/99/22/62/480992262.db2.gz HFAIZFZRRYLAIT-JKSUJKDBSA-N 1 3 334.460 2.621 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543373 480993523 /nfs/dbraw/zinc/99/35/23/480993523.db2.gz LZAVGHQYVBAECC-DLBZAZTESA-N 1 3 347.551 2.821 20 0 EFADHO FC(F)(F)COc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549514 480995147 /nfs/dbraw/zinc/99/51/47/480995147.db2.gz FIBFATUDPXRWLA-IACUBPJLSA-N 1 3 329.366 2.500 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c(C)c2)CC1 ZINC000647547957 480995308 /nfs/dbraw/zinc/99/53/08/480995308.db2.gz OFMYKEMDEQVAPE-CEXWTWQISA-N 1 3 342.531 2.937 20 0 EFADHO CCN1CCN(c2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647551557 480997845 /nfs/dbraw/zinc/99/78/45/480997845.db2.gz VDFOKKFJUVJCHJ-ZHALLVOQSA-N 1 3 328.504 2.629 20 0 EFADHO [NH3+]Cc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000647553016 480997950 /nfs/dbraw/zinc/99/79/50/480997950.db2.gz NEZKBCAXODBWCH-UHFFFAOYSA-N 1 3 349.228 2.926 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc(-c2cccc(F)c2)no1 ZINC000647551575 480998209 /nfs/dbraw/zinc/99/82/09/480998209.db2.gz WGGXTTWCVDCYTL-ATVPRXPUSA-N 1 3 330.407 2.914 20 0 EFADHO CCCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658481 481014148 /nfs/dbraw/zinc/01/41/48/481014148.db2.gz GWSWHRJGBYADNO-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCN(C)C1 ZINC000666658481 481014150 /nfs/dbraw/zinc/01/41/50/481014150.db2.gz GWSWHRJGBYADNO-WMZOPIPTSA-N 1 3 336.524 2.519 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666664027 481019461 /nfs/dbraw/zinc/01/94/61/481019461.db2.gz WHFAKCHLXOQVGG-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666664027 481019463 /nfs/dbraw/zinc/01/94/63/481019463.db2.gz WHFAKCHLXOQVGG-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO COc1cc2c(cc1OC)[C@H]([N@H+](C)CCCN(C)CCN(C)C)CC2 ZINC000639185719 481029468 /nfs/dbraw/zinc/02/94/68/481029468.db2.gz CTYVRHQTQPSYPA-GOSISDBHSA-N 1 3 349.519 2.506 20 0 EFADHO COc1cc2c(cc1OC)[C@H]([N@@H+](C)CCCN(C)CCN(C)C)CC2 ZINC000639185719 481029472 /nfs/dbraw/zinc/02/94/72/481029472.db2.gz CTYVRHQTQPSYPA-GOSISDBHSA-N 1 3 349.519 2.506 20 0 EFADHO C[C@H](CN1CCCC[C@H]1[C@@H](C)CO)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447864 481031030 /nfs/dbraw/zinc/03/10/30/481031030.db2.gz ZPEOVLYRTWYRBV-KJFMYELZSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCCC[C@H]1[C@@H](C)CO)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447864 481031038 /nfs/dbraw/zinc/03/10/38/481031038.db2.gz ZPEOVLYRTWYRBV-KJFMYELZSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CO)[C@@H]1CCCC[N@H+]1C[C@@H](C)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661447864 481031043 /nfs/dbraw/zinc/03/10/43/481031043.db2.gz ZPEOVLYRTWYRBV-KJFMYELZSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](C)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661447864 481031050 /nfs/dbraw/zinc/03/10/50/481031050.db2.gz ZPEOVLYRTWYRBV-KJFMYELZSA-N 1 3 340.552 2.588 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000669279435 481031629 /nfs/dbraw/zinc/03/16/29/481031629.db2.gz IYCVBQSTMVVUNY-HOTGVXAUSA-N 1 3 338.521 2.572 20 0 EFADHO CO[C@]1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCOC1 ZINC000639196412 481038131 /nfs/dbraw/zinc/03/81/31/481038131.db2.gz ZQKZHDCZQIYKHI-UXHICEINSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@]1(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196412 481038136 /nfs/dbraw/zinc/03/81/36/481038136.db2.gz ZQKZHDCZQIYKHI-UXHICEINSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@]1(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196412 481038146 /nfs/dbraw/zinc/03/81/46/481038146.db2.gz ZQKZHDCZQIYKHI-UXHICEINSA-N 1 3 332.488 2.684 20 0 EFADHO C[C@@H](NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000639207071 481046099 /nfs/dbraw/zinc/04/60/99/481046099.db2.gz VFFFFHGEEGPFMR-IXDOHACOSA-N 1 3 349.544 2.822 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H](CO)CC1CCC1)C1CCN(C)CC1 ZINC000641756257 481052736 /nfs/dbraw/zinc/05/27/36/481052736.db2.gz HDHNBCDCXSAGMP-LJQANCHMSA-N 1 3 345.531 2.858 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669323301 481053034 /nfs/dbraw/zinc/05/30/34/481053034.db2.gz KNERBPSCCHEDEP-NEWSRXKRSA-N 1 3 344.503 2.592 20 0 EFADHO COC1(CO)CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000664159524 481059935 /nfs/dbraw/zinc/05/99/35/481059935.db2.gz AUUPTIHINWMFCI-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@H](CN1CCC[C@H](C)[C@H]1CCO)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500715 481074057 /nfs/dbraw/zinc/07/40/57/481074057.db2.gz UGVDDOFLYJCGES-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCC[C@H](C)[C@H]1CCO)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500715 481074061 /nfs/dbraw/zinc/07/40/61/481074061.db2.gz UGVDDOFLYJCGES-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661500715 481074068 /nfs/dbraw/zinc/07/40/68/481074068.db2.gz UGVDDOFLYJCGES-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)[C@@H]1CCO)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661500715 481074074 /nfs/dbraw/zinc/07/40/74/481074074.db2.gz UGVDDOFLYJCGES-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO CN1CCC(C[NH2+]C2CCC(=C3CCC3)CC2)(N2CCOCC2)CC1 ZINC000639260857 481075823 /nfs/dbraw/zinc/07/58/23/481075823.db2.gz HWLXGEDXDUYLIC-UHFFFAOYSA-N 1 3 347.547 2.796 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000661504207 481079072 /nfs/dbraw/zinc/07/90/72/481079072.db2.gz BZFJBYVQYHEDGR-BQFCYCMXSA-N 1 3 348.535 2.518 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000661504207 481079078 /nfs/dbraw/zinc/07/90/78/481079078.db2.gz BZFJBYVQYHEDGR-BQFCYCMXSA-N 1 3 348.535 2.518 20 0 EFADHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc(OC(F)(F)F)cn1 ZINC000664196456 481082470 /nfs/dbraw/zinc/08/24/70/481082470.db2.gz UAIGDCWVVHOQSX-LBPRGKRZSA-N 1 3 334.386 2.664 20 0 EFADHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc(OC(F)(F)F)cn1 ZINC000664196456 481082474 /nfs/dbraw/zinc/08/24/74/481082474.db2.gz UAIGDCWVVHOQSX-LBPRGKRZSA-N 1 3 334.386 2.664 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000653110142 481084352 /nfs/dbraw/zinc/08/43/52/481084352.db2.gz ZBTOPZGXWAZIHE-OTWHNJEPSA-N 1 3 329.488 2.847 20 0 EFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653111943 481086491 /nfs/dbraw/zinc/08/64/91/481086491.db2.gz HDSGSRZZLIIWOW-RTBURBONSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000653114851 481088463 /nfs/dbraw/zinc/08/84/63/481088463.db2.gz YTWZCSYNMHKCKY-QGZVFWFLSA-N 1 3 347.528 2.606 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3c(C)cccc3OC)CC2)CC1 ZINC000639276940 481089215 /nfs/dbraw/zinc/08/92/15/481089215.db2.gz QVVGFJBZJSYMKC-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3c(C)cccc3OC)CC2)CC1 ZINC000639276940 481089221 /nfs/dbraw/zinc/08/92/21/481089221.db2.gz QVVGFJBZJSYMKC-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3c(C)cccc3OC)CC2)CC1 ZINC000639276940 481089231 /nfs/dbraw/zinc/08/92/31/481089231.db2.gz QVVGFJBZJSYMKC-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN([C@@H](C)c3cnc(C)nc3C)CC2)CC1 ZINC000639275908 481089320 /nfs/dbraw/zinc/08/93/20/481089320.db2.gz KEEMPAYPSHZASZ-KRWDZBQOSA-N 1 3 345.535 2.646 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000641803882 481089545 /nfs/dbraw/zinc/08/95/45/481089545.db2.gz VVNAUQAHPXEVKS-CHWSQXEVSA-N 1 3 329.366 2.749 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)ccc1OCCN1CCCC1 ZINC000653120283 481091407 /nfs/dbraw/zinc/09/14/07/481091407.db2.gz MPWTWSCXMZRBIY-QGZVFWFLSA-N 1 3 345.487 2.798 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000646106461 481095027 /nfs/dbraw/zinc/09/50/27/481095027.db2.gz ZKXIDUADFABNQO-FPOVZHCZSA-N 1 3 349.478 2.606 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000646106461 481095034 /nfs/dbraw/zinc/09/50/34/481095034.db2.gz ZKXIDUADFABNQO-FPOVZHCZSA-N 1 3 349.478 2.606 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000646105879 481095131 /nfs/dbraw/zinc/09/51/31/481095131.db2.gz KLUVYFFCJAMCNB-QWFCFKBJSA-N 1 3 329.488 2.627 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000646106460 481095303 /nfs/dbraw/zinc/09/53/03/481095303.db2.gz ZKXIDUADFABNQO-CTNGQTDRSA-N 1 3 349.478 2.606 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CNCc3ccccc32)C1 ZINC000646106460 481095304 /nfs/dbraw/zinc/09/53/04/481095304.db2.gz ZKXIDUADFABNQO-CTNGQTDRSA-N 1 3 349.478 2.606 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000641812777 481096548 /nfs/dbraw/zinc/09/65/48/481096548.db2.gz SFHWUCZANUQTMY-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[NH2+]Cc3ccccc32)cc1 ZINC000666783903 481098426 /nfs/dbraw/zinc/09/84/26/481098426.db2.gz JLECVJQYTBUMRQ-UHFFFAOYSA-N 1 3 325.456 2.737 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000669406537 481099359 /nfs/dbraw/zinc/09/93/59/481099359.db2.gz ZEUYIEIVTUIUPN-HNNXBMFYSA-N 1 3 344.503 2.600 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000669406537 481099373 /nfs/dbraw/zinc/09/93/73/481099373.db2.gz ZEUYIEIVTUIUPN-HNNXBMFYSA-N 1 3 344.503 2.600 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cn1 ZINC000647795051 481109358 /nfs/dbraw/zinc/10/93/58/481109358.db2.gz IPQYWDXDGXKKQT-ILRDRHFLSA-N 1 3 328.435 2.626 20 0 EFADHO CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420499 481110186 /nfs/dbraw/zinc/11/01/86/481110186.db2.gz NLKXZSKYWZAMEI-SFHVURJKSA-N 1 3 346.519 2.715 20 0 EFADHO FC(F)(F)COc1cnccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647796625 481112436 /nfs/dbraw/zinc/11/24/36/481112436.db2.gz GWQOAXZMCMRHMD-KWCYVHTRSA-N 1 3 329.366 2.500 20 0 EFADHO COc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)sn1 ZINC000639310856 481119802 /nfs/dbraw/zinc/11/98/02/481119802.db2.gz ISFCEYGMNLSRFK-UHFFFAOYSA-N 1 3 332.473 2.549 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccccc1 ZINC000669479719 481146912 /nfs/dbraw/zinc/14/69/12/481146912.db2.gz QJKNCMLDCPMTAL-SZMVWBNQSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646188821 481147466 /nfs/dbraw/zinc/14/74/66/481147466.db2.gz OGLHOTLLSXCPAM-LZLYRXPVSA-N 1 3 332.492 2.639 20 0 EFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669479715 481147665 /nfs/dbraw/zinc/14/76/65/481147665.db2.gz PKRXVYVOVXHHET-NUJGCVRESA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646188819 481147823 /nfs/dbraw/zinc/14/78/23/481147823.db2.gz OGLHOTLLSXCPAM-BQFCYCMXSA-N 1 3 332.492 2.639 20 0 EFADHO CCN(CCCC1CC[NH2+]CC1)CC(=O)NCc1ccc(F)cc1 ZINC000647870926 481148644 /nfs/dbraw/zinc/14/86/44/481148644.db2.gz NXGBJDNUNQMTRP-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669483646 481150151 /nfs/dbraw/zinc/15/01/51/481150151.db2.gz GDVJBSDWBGNIOL-NEWSRXKRSA-N 1 3 344.503 2.592 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483693 481150969 /nfs/dbraw/zinc/15/09/69/481150969.db2.gz IFEREKZQVYZVDC-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483584 481151280 /nfs/dbraw/zinc/15/12/80/481151280.db2.gz BXNAOVJHZDADSI-FUHWJXTLSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000666858046 481151543 /nfs/dbraw/zinc/15/15/43/481151543.db2.gz USUMPAIFPNLGAO-WMLDXEAASA-N 1 3 337.895 2.809 20 0 EFADHO O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483863 481152712 /nfs/dbraw/zinc/15/27/12/481152712.db2.gz PVRVCXSVRVJDJA-HKUYNNGSSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483741 481153232 /nfs/dbraw/zinc/15/32/32/481153232.db2.gz KNEMDPKJOVUCOM-ZIFCJYIRSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669486881 481154956 /nfs/dbraw/zinc/15/49/56/481154956.db2.gz JNUMENGXERMWLE-INIZCTEOSA-N 1 3 344.503 2.735 20 0 EFADHO CC[C@@H](Cc1cccs1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000646215693 481161259 /nfs/dbraw/zinc/16/12/59/481161259.db2.gz RHCWGUKHXVQQIS-INIZCTEOSA-N 1 3 337.533 2.651 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000659016986 481163112 /nfs/dbraw/zinc/16/31/12/481163112.db2.gz CIQHKKUHWQOFBP-CQSZACIVSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000659016986 481163117 /nfs/dbraw/zinc/16/31/17/481163117.db2.gz CIQHKKUHWQOFBP-CQSZACIVSA-N 1 3 330.476 2.574 20 0 EFADHO CCCN1CC[C@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000659021643 481167728 /nfs/dbraw/zinc/16/77/28/481167728.db2.gz KAMJGMYLQCOXOX-ZDUSSCGKSA-N 1 3 344.381 2.770 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000669519573 481176319 /nfs/dbraw/zinc/17/63/19/481176319.db2.gz IVGMXVBTCZNHOQ-WNHJNPCNSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000669519926 481176734 /nfs/dbraw/zinc/17/67/34/481176734.db2.gz XNLQQLGUMINUQG-CEXWTWQISA-N 1 3 343.515 2.951 20 0 EFADHO N[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000653253268 481181207 /nfs/dbraw/zinc/18/12/07/481181207.db2.gz NJPDANSBWCATFC-QGZVFWFLSA-N 1 3 333.501 2.940 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000669530251 481184447 /nfs/dbraw/zinc/18/44/47/481184447.db2.gz XWIBGAKMYSSIAB-OALUTQOASA-N 1 3 346.519 2.983 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cc1=O ZINC000647933777 481191596 /nfs/dbraw/zinc/19/15/96/481191596.db2.gz LYVYLEBYRCOEIU-UXHICEINSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cc1=O ZINC000647933777 481191603 /nfs/dbraw/zinc/19/16/03/481191603.db2.gz LYVYLEBYRCOEIU-UXHICEINSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1=O ZINC000647933777 481191614 /nfs/dbraw/zinc/19/16/14/481191614.db2.gz LYVYLEBYRCOEIU-UXHICEINSA-N 1 3 339.483 2.557 20 0 EFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)N1C ZINC000646262713 481192368 /nfs/dbraw/zinc/19/23/68/481192368.db2.gz GZNNQCLRINLTPA-HDICACEKSA-N 1 3 331.504 2.686 20 0 EFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)CC[C@H]1[NH3+] ZINC000647938750 481201099 /nfs/dbraw/zinc/20/10/99/481201099.db2.gz SZMXXESZFLOYBO-SMDDNHRTSA-N 1 3 327.831 2.867 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636921350 481201602 /nfs/dbraw/zinc/20/16/02/481201602.db2.gz JEMCUGMVWHHYRJ-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H]1CN(C)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000646281349 481202214 /nfs/dbraw/zinc/20/22/14/481202214.db2.gz HWILDHOIVOSNGD-IBGZPJMESA-N 1 3 331.504 2.687 20 0 EFADHO CCOc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OC(F)F ZINC000666950795 481214906 /nfs/dbraw/zinc/21/49/06/481214906.db2.gz IKQQMIIWHFQENA-HNNXBMFYSA-N 1 3 326.387 2.918 20 0 EFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCC1([NH3+])CCC1 ZINC000646306401 481216750 /nfs/dbraw/zinc/21/67/50/481216750.db2.gz ONZCWLUSFHXQDW-INIZCTEOSA-N 1 3 345.487 2.551 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965620 481217792 /nfs/dbraw/zinc/21/77/92/481217792.db2.gz CNTYEHSPMVTWIY-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965620 481217796 /nfs/dbraw/zinc/21/77/96/481217796.db2.gz CNTYEHSPMVTWIY-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965620 481217800 /nfs/dbraw/zinc/21/78/00/481217800.db2.gz CNTYEHSPMVTWIY-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965620 481217803 /nfs/dbraw/zinc/21/78/03/481217803.db2.gz CNTYEHSPMVTWIY-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC[C@H]1[NH3+] ZINC000669583453 481225047 /nfs/dbraw/zinc/22/50/47/481225047.db2.gz CZIRTJYHQHGWHQ-RWQQGDIJSA-N 1 3 346.519 2.755 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975053 481225053 /nfs/dbraw/zinc/22/50/53/481225053.db2.gz JKGCDUQRUDURRL-ZWKOTPCHSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc2c(c1)CCC2 ZINC000647975899 481227257 /nfs/dbraw/zinc/22/72/57/481227257.db2.gz HKMSAYAZBGDOSD-RBUKOAKNSA-N 1 3 341.499 2.825 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000647975542 481228890 /nfs/dbraw/zinc/22/88/90/481228890.db2.gz BQKZOAOJUJJFQN-ZRNYENFQSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976661 481231241 /nfs/dbraw/zinc/23/12/41/481231241.db2.gz RRSMINHUFZLDEJ-QYZOEREBSA-N 1 3 329.488 2.528 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1 ZINC000647976866 481231469 /nfs/dbraw/zinc/23/14/69/481231469.db2.gz VJAHYKIWYVSKFU-ZIFCJYIRSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647977192 481232755 /nfs/dbraw/zinc/23/27/55/481232755.db2.gz YYSCYCWSYXDUHF-XEYPJELSSA-N 1 3 343.515 2.964 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647977400 481233760 /nfs/dbraw/zinc/23/37/60/481233760.db2.gz AVTOAUCWWBWBAK-HZPDHXFCSA-N 1 3 349.544 2.638 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977205 481234056 /nfs/dbraw/zinc/23/40/56/481234056.db2.gz ZKJDXCKUPRUROT-BHIYHBOVSA-N 1 3 335.536 2.783 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978203 481234744 /nfs/dbraw/zinc/23/47/44/481234744.db2.gz OIJLDOGFJRPQQX-SCTDSRPQSA-N 1 3 327.472 2.652 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647977398 481234997 /nfs/dbraw/zinc/23/49/97/481234997.db2.gz AVTOAUCWWBWBAK-CVEARBPZSA-N 1 3 349.544 2.638 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650707248 481275568 /nfs/dbraw/zinc/27/55/68/481275568.db2.gz BUOPUIWLUXYDMS-OTWHNJEPSA-N 1 3 346.519 2.645 20 0 EFADHO COc1cc(C)c(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000650707998 481279576 /nfs/dbraw/zinc/27/95/76/481279576.db2.gz RHLUGEAWTAQUQU-SZMVWBNQSA-N 1 3 348.487 2.731 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707513 481279784 /nfs/dbraw/zinc/27/97/84/481279784.db2.gz HQMFUBSRNCZFPY-JENIJYKNSA-N 1 3 348.535 2.973 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408846 481280357 /nfs/dbraw/zinc/28/03/57/481280357.db2.gz NQTHDVSBKFJGEC-GBESFXJTSA-N 1 3 329.488 2.718 20 0 EFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CNc2ccnn2C1 ZINC000648034786 481280924 /nfs/dbraw/zinc/28/09/24/481280924.db2.gz GIHAISAIPWNPLS-GOSISDBHSA-N 1 3 327.476 2.509 20 0 EFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@H]1CNc2ccnn2C1 ZINC000648034786 481280932 /nfs/dbraw/zinc/28/09/32/481280932.db2.gz GIHAISAIPWNPLS-GOSISDBHSA-N 1 3 327.476 2.509 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3nccc4ccccc43)CC2)C1 ZINC000667054173 481281808 /nfs/dbraw/zinc/28/18/08/481281808.db2.gz SWDYILLUGLUZNK-PXNSSMCTSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]CC1(CCNCc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000650713172 481282512 /nfs/dbraw/zinc/28/25/12/481282512.db2.gz IBZQMEDERFPHMH-UHFFFAOYSA-N 1 3 340.258 2.793 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650717511 481284605 /nfs/dbraw/zinc/28/46/05/481284605.db2.gz CRJYGHXFAUYXIU-HNNXBMFYSA-N 1 3 343.446 2.512 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(F)cc1)NCc1ccc(C[NH3+])cc1F ZINC000650717893 481287248 /nfs/dbraw/zinc/28/72/48/481287248.db2.gz QCVZOVAZIUGCGF-LBPRGKRZSA-N 1 3 333.382 2.930 20 0 EFADHO CN(C)CCOc1ccc(CNCc2ccc(C[NH3+])cc2F)cc1 ZINC000650718250 481287295 /nfs/dbraw/zinc/28/72/95/481287295.db2.gz DSMQNKPKQFCPNY-UHFFFAOYSA-N 1 3 331.435 2.515 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccnn3CC(C)C)CC2)CC1 ZINC000648044414 481288346 /nfs/dbraw/zinc/28/83/46/481288346.db2.gz BCGWTTCPWKNHEK-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650730213 481297705 /nfs/dbraw/zinc/29/77/05/481297705.db2.gz PYPRONQUKMQZAU-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650730213 481297710 /nfs/dbraw/zinc/29/77/10/481297710.db2.gz PYPRONQUKMQZAU-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO Fc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCC1 ZINC000650741177 481307365 /nfs/dbraw/zinc/30/73/65/481307365.db2.gz ZPAJPDRXZKSJIQ-AYOQOUSVSA-N 1 3 332.463 2.994 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000643083049 481309194 /nfs/dbraw/zinc/30/91/94/481309194.db2.gz MFWDJASKRQKPHL-AZUAARDMSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650752364 481315047 /nfs/dbraw/zinc/31/50/47/481315047.db2.gz PRULQMUPNNUMMH-CQSZACIVSA-N 1 3 329.419 2.816 20 0 EFADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000646472632 481319589 /nfs/dbraw/zinc/31/95/89/481319589.db2.gz ISHYBRISWYRGDM-BBRMVZONSA-N 1 3 329.444 2.659 20 0 EFADHO Cc1c([C@@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000650763713 481327069 /nfs/dbraw/zinc/32/70/69/481327069.db2.gz HSITULKIKGBXBS-OAHLLOKOSA-N 1 3 327.476 2.924 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CC3(CCC3)C2)CC1 ZINC000659286827 481335763 /nfs/dbraw/zinc/33/57/63/481335763.db2.gz RCJHOUYVNRMGIL-MRXNPFEDSA-N 1 3 341.499 2.990 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659284601 481335984 /nfs/dbraw/zinc/33/59/84/481335984.db2.gz GKYZZCVAMPSKNI-QRVBRYPASA-N 1 3 341.499 2.764 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288340 481337923 /nfs/dbraw/zinc/33/79/23/481337923.db2.gz GASDJAVTHGFQBZ-SJLPKXTDSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1(N)CC2(CCC2)C1 ZINC000659288340 481337931 /nfs/dbraw/zinc/33/79/31/481337931.db2.gz GASDJAVTHGFQBZ-SJLPKXTDSA-N 1 3 341.499 2.675 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659292947 481342419 /nfs/dbraw/zinc/34/24/19/481342419.db2.gz SNLBKYDWYRMORY-IEBWSBKVSA-N 1 3 327.472 2.698 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3cccc4c3CCNC4)cc21 ZINC000659295594 481343356 /nfs/dbraw/zinc/34/33/56/481343356.db2.gz DZFHJUDAWWMJHA-INIZCTEOSA-N 1 3 335.451 2.963 20 0 EFADHO O[C@@]1(CN2CCOCC3(CCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639593540 481347299 /nfs/dbraw/zinc/34/72/99/481347299.db2.gz RXOPRLVOERXRID-NRFANRHFSA-N 1 3 344.499 2.516 20 0 EFADHO O[C@@]1(CN2CCOCC3(CCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639593540 481347303 /nfs/dbraw/zinc/34/73/03/481347303.db2.gz RXOPRLVOERXRID-NRFANRHFSA-N 1 3 344.499 2.516 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659320074 481361226 /nfs/dbraw/zinc/36/12/26/481361226.db2.gz YZHVUILJVDXWKI-BEFAXECRSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659320077 481361664 /nfs/dbraw/zinc/36/16/64/481361664.db2.gz YZHVUILJVDXWKI-DNVCBOLYSA-N 1 3 343.515 2.868 20 0 EFADHO CN1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000653618094 481367031 /nfs/dbraw/zinc/36/70/31/481367031.db2.gz IBLWDZOBCJAELC-KDOFPFPSSA-N 1 3 330.476 2.699 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000669932283 481368237 /nfs/dbraw/zinc/36/82/37/481368237.db2.gz FSULLYDIXOQCEU-FQEVSTJZSA-N 1 3 349.563 2.969 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661899416 481403126 /nfs/dbraw/zinc/40/31/26/481403126.db2.gz WTJLZOVOBIPXRF-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CCC(C)CC2)C1 ZINC000661899416 481403138 /nfs/dbraw/zinc/40/31/38/481403138.db2.gz WTJLZOVOBIPXRF-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CO[C@@H](Cc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684174 481426790 /nfs/dbraw/zinc/42/67/90/481426790.db2.gz SPWCEWBBAFCLKO-FQEVSTJZSA-N 1 3 325.456 2.851 20 0 EFADHO CO[C@@H](Cc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684174 481426794 /nfs/dbraw/zinc/42/67/94/481426794.db2.gz SPWCEWBBAFCLKO-FQEVSTJZSA-N 1 3 325.456 2.851 20 0 EFADHO c1cnn([C@@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000643352368 481428812 /nfs/dbraw/zinc/42/88/12/481428812.db2.gz PWFQNMBWUWKNLK-LJQANCHMSA-N 1 3 340.471 2.805 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000661951204 481439412 /nfs/dbraw/zinc/43/94/12/481439412.db2.gz JYBZORWDNAUKNU-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000661951204 481439419 /nfs/dbraw/zinc/43/94/19/481439419.db2.gz JYBZORWDNAUKNU-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCCC2)N2CCCC2)cc1 ZINC000659445724 481441417 /nfs/dbraw/zinc/44/14/17/481441417.db2.gz UUUXXSIXADMWKH-GOSISDBHSA-N 1 3 344.503 2.703 20 0 EFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000643375411 481442279 /nfs/dbraw/zinc/44/22/79/481442279.db2.gz VBUMFPAVIOUWSW-JBACZVJFSA-N 1 3 327.516 2.890 20 0 EFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000643375411 481442286 /nfs/dbraw/zinc/44/22/86/481442286.db2.gz VBUMFPAVIOUWSW-JBACZVJFSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643375411 481442294 /nfs/dbraw/zinc/44/22/94/481442294.db2.gz VBUMFPAVIOUWSW-JBACZVJFSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643375411 481442299 /nfs/dbraw/zinc/44/22/99/481442299.db2.gz VBUMFPAVIOUWSW-JBACZVJFSA-N 1 3 327.516 2.890 20 0 EFADHO COc1cccc(OCCN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639705133 481442275 /nfs/dbraw/zinc/44/22/75/481442275.db2.gz SDBSHPLOKMKWNE-UHFFFAOYSA-N 1 3 327.428 2.681 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659456630 481447913 /nfs/dbraw/zinc/44/79/13/481447913.db2.gz PRRIGQIDQHYNBP-HNNXBMFYSA-N 1 3 332.492 2.591 20 0 EFADHO CC(C)O[C@H]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639719393 481456531 /nfs/dbraw/zinc/45/65/31/481456531.db2.gz DWKJUSQJHLVNJY-PMACEKPBSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@H]1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639719393 481456536 /nfs/dbraw/zinc/45/65/36/481456536.db2.gz DWKJUSQJHLVNJY-PMACEKPBSA-N 1 3 332.488 2.513 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000659492737 481467880 /nfs/dbraw/zinc/46/78/80/481467880.db2.gz RIKDMEVIZXSUQT-CZUORRHYSA-N 1 3 340.899 2.630 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453144 481474108 /nfs/dbraw/zinc/47/41/08/481474108.db2.gz JNDPVSCHRBKQEC-USJZOSNVSA-N 1 3 337.895 2.508 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000643463850 481479271 /nfs/dbraw/zinc/47/92/71/481479271.db2.gz XEBFBIJOVKGYOC-YRGRVCCFSA-N 1 3 347.286 2.711 20 0 EFADHO CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000637366492 481482738 /nfs/dbraw/zinc/48/27/38/481482738.db2.gz CLXHIVFPDYVGBV-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000637366492 481482746 /nfs/dbraw/zinc/48/27/46/481482746.db2.gz CLXHIVFPDYVGBV-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC[C@@H]1CCN1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000637366511 481482801 /nfs/dbraw/zinc/48/28/01/481482801.db2.gz COQSVOSYPOLKOD-TUVJXNFZSA-N 1 3 348.535 2.660 20 0 EFADHO CN(C(=O)NC[C@@H]1CCN1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000637366511 481482805 /nfs/dbraw/zinc/48/28/05/481482805.db2.gz COQSVOSYPOLKOD-TUVJXNFZSA-N 1 3 348.535 2.660 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528736 481482931 /nfs/dbraw/zinc/48/29/31/481482931.db2.gz XAIZTPOTFCQROA-MOPGFXCFSA-N 1 3 340.471 2.623 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528736 481482939 /nfs/dbraw/zinc/48/29/39/481482939.db2.gz XAIZTPOTFCQROA-MOPGFXCFSA-N 1 3 340.471 2.623 20 0 EFADHO CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000637366497 481483114 /nfs/dbraw/zinc/48/31/14/481483114.db2.gz CLXHIVFPDYVGBV-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(CC)C1 ZINC000637366497 481483123 /nfs/dbraw/zinc/48/31/23/481483123.db2.gz CLXHIVFPDYVGBV-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470457 481483759 /nfs/dbraw/zinc/48/37/59/481483759.db2.gz XONCHHFGRJTCRD-SWLSCSKDSA-N 1 3 343.393 2.918 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000637367087 481484060 /nfs/dbraw/zinc/48/40/60/481484060.db2.gz IKFBEWQRVBBSJV-NZSAHSFTSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368895 481486510 /nfs/dbraw/zinc/48/65/10/481486510.db2.gz TZTFZEVXIKTHIS-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368895 481486516 /nfs/dbraw/zinc/48/65/16/481486516.db2.gz TZTFZEVXIKTHIS-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369329 481488205 /nfs/dbraw/zinc/48/82/05/481488205.db2.gz YDWJEVHWDVXXLJ-AZUAARDMSA-N 1 3 348.535 2.521 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)NC[C@@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369329 481488213 /nfs/dbraw/zinc/48/82/13/481488213.db2.gz YDWJEVHWDVXXLJ-AZUAARDMSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372948 481491183 /nfs/dbraw/zinc/49/11/83/481491183.db2.gz MHNFIQWKQJAOSA-AEFFLSMTSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643545749 481501957 /nfs/dbraw/zinc/50/19/57/481501957.db2.gz BMSHHRNYBYMBBR-ZIFCJYIRSA-N 1 3 328.504 2.556 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000637474842 481555303 /nfs/dbraw/zinc/55/53/03/481555303.db2.gz JJYPELOSGATZNK-PKOBYXMFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000637473800 481556063 /nfs/dbraw/zinc/55/60/63/481556063.db2.gz TYPYGGMGDYQLSM-IBGZPJMESA-N 1 3 348.535 2.521 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000637477003 481557222 /nfs/dbraw/zinc/55/72/22/481557222.db2.gz QVGHDSOQZQHGOG-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000637477003 481557229 /nfs/dbraw/zinc/55/72/29/481557229.db2.gz QVGHDSOQZQHGOG-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C[C@H]1C ZINC000637478376 481559098 /nfs/dbraw/zinc/55/90/98/481559098.db2.gz ZWDVWWBYIQMSFQ-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C[C@H]1C ZINC000637478376 481559109 /nfs/dbraw/zinc/55/91/09/481559109.db2.gz ZWDVWWBYIQMSFQ-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C[C@@H]1C ZINC000637478381 481559259 /nfs/dbraw/zinc/55/92/59/481559259.db2.gz ZWDVWWBYIQMSFQ-SZMVWBNQSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C[C@@H]1C ZINC000637478381 481559262 /nfs/dbraw/zinc/55/92/62/481559262.db2.gz ZWDVWWBYIQMSFQ-SZMVWBNQSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](C(=O)N1CCC(C)([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646991627 481589440 /nfs/dbraw/zinc/58/94/40/481589440.db2.gz HXWGJCUPEIMIEA-QGZVFWFLSA-N 1 3 343.515 2.669 20 0 EFADHO CC[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[C@H]1[NH3+] ZINC000647006018 481596625 /nfs/dbraw/zinc/59/66/25/481596625.db2.gz JNLUVYDWZAVOCZ-ZHALLVOQSA-N 1 3 347.478 2.624 20 0 EFADHO CC[C@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@@H]1[NH3+] ZINC000647012199 481602503 /nfs/dbraw/zinc/60/25/03/481602503.db2.gz PWDQEYXGLLFBHH-BBRMVZONSA-N 1 3 329.444 2.694 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654045586 481606843 /nfs/dbraw/zinc/60/68/43/481606843.db2.gz XXDGDKBPUZBCGA-RTBURBONSA-N 1 3 344.503 2.929 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2ccsc21 ZINC000651182133 481609496 /nfs/dbraw/zinc/60/94/96/481609496.db2.gz MOFCCQMPCGTLFY-UHFFFAOYSA-N 1 3 348.516 2.536 20 0 EFADHO C[C@H]1CC2(CN1Cc1ccn(-c3cccc(F)c3)n1)CC[NH2+]CC2 ZINC000643895322 481634672 /nfs/dbraw/zinc/63/46/72/481634672.db2.gz YTWWBSGUKIEQDR-HNNXBMFYSA-N 1 3 328.435 2.975 20 0 EFADHO Cc1ccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000639960921 481650946 /nfs/dbraw/zinc/65/09/46/481650946.db2.gz GJFWJYFUXWPLAU-IBGZPJMESA-N 1 3 329.488 2.674 20 0 EFADHO COc1ccc(C[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@H](C)C2CC2)cc1 ZINC000662249745 481664498 /nfs/dbraw/zinc/66/44/98/481664498.db2.gz ZHGCLVVHPFFQRA-BEFAXECRSA-N 1 3 330.472 2.817 20 0 EFADHO COc1ccc(C[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@H](C)C2CC2)cc1 ZINC000662249745 481664504 /nfs/dbraw/zinc/66/45/04/481664504.db2.gz ZHGCLVVHPFFQRA-BEFAXECRSA-N 1 3 330.472 2.817 20 0 EFADHO COc1cc2c(cc1CN1CC3(C[C@@H]1C)CC[NH2+]CC3)O[C@@H](C)C2 ZINC000643973777 481665285 /nfs/dbraw/zinc/66/52/85/481665285.db2.gz MMDCRYNSZVIHFP-GJZGRUSLSA-N 1 3 330.472 2.983 20 0 EFADHO CC(C)(C)C(=O)NC[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662258795 481672757 /nfs/dbraw/zinc/67/27/57/481672757.db2.gz XRAFHXWJTCXTTO-INIZCTEOSA-N 1 3 343.515 2.707 20 0 EFADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258795 481672763 /nfs/dbraw/zinc/67/27/63/481672763.db2.gz XRAFHXWJTCXTTO-INIZCTEOSA-N 1 3 343.515 2.707 20 0 EFADHO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662258795 481672769 /nfs/dbraw/zinc/67/27/69/481672769.db2.gz XRAFHXWJTCXTTO-INIZCTEOSA-N 1 3 343.515 2.707 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979567 481680403 /nfs/dbraw/zinc/68/04/03/481680403.db2.gz ULDDHOKRLMXPDO-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979567 481680408 /nfs/dbraw/zinc/68/04/08/481680408.db2.gz ULDDHOKRLMXPDO-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979567 481680412 /nfs/dbraw/zinc/68/04/12/481680412.db2.gz ULDDHOKRLMXPDO-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979567 481680419 /nfs/dbraw/zinc/68/04/19/481680419.db2.gz ULDDHOKRLMXPDO-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO FC1(F)CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000647177168 481685592 /nfs/dbraw/zinc/68/55/92/481685592.db2.gz OJBSWUQUJNSILX-UHFFFAOYSA-N 1 3 338.446 2.761 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659989672 481687229 /nfs/dbraw/zinc/68/72/29/481687229.db2.gz QXTRSVFHHUQMBN-PBHICJAKSA-N 1 3 333.501 2.763 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659989672 481687236 /nfs/dbraw/zinc/68/72/36/481687236.db2.gz QXTRSVFHHUQMBN-PBHICJAKSA-N 1 3 333.501 2.763 20 0 EFADHO CC(C)C1CCC(N2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000659992359 481687496 /nfs/dbraw/zinc/68/74/96/481687496.db2.gz DLPPLVLFVFZNQC-SOAGJPPSSA-N 1 3 339.568 2.520 20 0 EFADHO CC(C)C1CCC(N2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000659992359 481687503 /nfs/dbraw/zinc/68/75/03/481687503.db2.gz DLPPLVLFVFZNQC-SOAGJPPSSA-N 1 3 339.568 2.520 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290752 481692709 /nfs/dbraw/zinc/69/27/09/481692709.db2.gz JLWHZUSQJZPPMB-FXAWDEMLSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290755 481692990 /nfs/dbraw/zinc/69/29/90/481692990.db2.gz JLWHZUSQJZPPMB-YLJYHZDGSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292034 481695227 /nfs/dbraw/zinc/69/52/27/481695227.db2.gz LDKXADKVXNHKNG-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291246 481695937 /nfs/dbraw/zinc/69/59/37/481695937.db2.gz QFHQUASJBSZMAA-TXLGJMDYSA-N 1 3 335.536 2.781 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293369 481697582 /nfs/dbraw/zinc/69/75/82/481697582.db2.gz KLLRZRRFWVWWKK-CYBMUJFWSA-N 1 3 326.378 2.615 20 0 EFADHO O=C1Nc2ccccc2CC[C@H]1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293039 481697593 /nfs/dbraw/zinc/69/75/93/481697593.db2.gz ITSBKECOUZQXMP-IEBWSBKVSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@@H](C(=O)N(C)c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293679 481697658 /nfs/dbraw/zinc/69/76/58/481697658.db2.gz HYWXTOAXEOHJHT-WMZOPIPTSA-N 1 3 329.488 2.750 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010766 481698579 /nfs/dbraw/zinc/69/85/79/481698579.db2.gz MAKOPOIPMCWJOL-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010766 481698585 /nfs/dbraw/zinc/69/85/85/481698585.db2.gz MAKOPOIPMCWJOL-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010766 481698591 /nfs/dbraw/zinc/69/85/91/481698591.db2.gz MAKOPOIPMCWJOL-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCCN(C(=O)C(C)(C)C)C3)CC[C@H]21 ZINC000660010766 481698598 /nfs/dbraw/zinc/69/85/98/481698598.db2.gz MAKOPOIPMCWJOL-KZNAEPCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)Cn1nccc1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000647198350 481699060 /nfs/dbraw/zinc/69/90/60/481699060.db2.gz ALBBVQWDODHPSQ-UHFFFAOYSA-N 1 3 327.476 2.940 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000662295683 481700516 /nfs/dbraw/zinc/70/05/16/481700516.db2.gz HRROHWMHFHDDAQ-MRXNPFEDSA-N 1 3 349.544 2.638 20 0 EFADHO O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295597 481700984 /nfs/dbraw/zinc/70/09/84/481700984.db2.gz HEPYUPWECAIZRG-AZUAARDMSA-N 1 3 341.499 2.718 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294820 481701072 /nfs/dbraw/zinc/70/10/72/481701072.db2.gz NYOGJRNNCKUKPQ-NZSAHSFTSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N(C1CC1)C1CCCC1 ZINC000662299063 481705390 /nfs/dbraw/zinc/70/53/90/481705390.db2.gz ZJCXUQMVSSFPHO-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298774 481705972 /nfs/dbraw/zinc/70/59/72/481705972.db2.gz XUAMNOWITCSEMY-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297848 481706114 /nfs/dbraw/zinc/70/61/14/481706114.db2.gz SKZNEMGMZWFQQY-NVXWUHKLSA-N 1 3 345.487 2.734 20 0 EFADHO COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312289 481715529 /nfs/dbraw/zinc/71/55/29/481715529.db2.gz AOVRMELJTCJMOA-JFIYKMOQSA-N 1 3 347.503 2.712 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658762 481716711 /nfs/dbraw/zinc/71/67/11/481716711.db2.gz PLDJKVAVLLGEJH-GBESFXJTSA-N 1 3 346.519 2.838 20 0 EFADHO CCOc1ccccc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312969 481717557 /nfs/dbraw/zinc/71/75/57/481717557.db2.gz CPLIAWHNLILJMM-NVXWUHKLSA-N 1 3 333.476 2.863 20 0 EFADHO OCC1([C@H]([NH2+]C[C@@H](O)CN2CCCC2)c2ccccc2)CCCCC1 ZINC000665206714 481719930 /nfs/dbraw/zinc/71/99/30/481719930.db2.gz PATPVYBHBDRPQG-WOJBJXKFSA-N 1 3 346.515 2.717 20 0 EFADHO COc1ccccc1N1CC[C@@H](N2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662316909 481720643 /nfs/dbraw/zinc/72/06/43/481720643.db2.gz XLBYHKTVLJSGNB-JFIYKMOQSA-N 1 3 345.487 2.640 20 0 EFADHO C[C@@H]1CCCN(Cc2ccc(OCC(F)(F)F)nn2)[C@@H]1CCC[NH3+] ZINC000662316540 481720960 /nfs/dbraw/zinc/72/09/60/481720960.db2.gz VMMNUTDINPKDMF-TZMCWYRMSA-N 1 3 346.397 2.757 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000637718604 481725791 /nfs/dbraw/zinc/72/57/91/481725791.db2.gz HCLVYCUMGFMMFU-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000667671241 481728026 /nfs/dbraw/zinc/72/80/26/481728026.db2.gz LTBOXMWZXHERRJ-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC000667671241 481728037 /nfs/dbraw/zinc/72/80/37/481728037.db2.gz LTBOXMWZXHERRJ-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[N@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC000667671241 481728048 /nfs/dbraw/zinc/72/80/48/481728048.db2.gz LTBOXMWZXHERRJ-CMKODMSKSA-N 1 3 346.519 2.788 20 0 EFADHO c1c(C2CCN(Cc3ccccn3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326931 481728303 /nfs/dbraw/zinc/72/83/03/481728303.db2.gz HMZOZOYRBXQVGW-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(Cc2ccccn2)CC1 ZINC000662326931 481728307 /nfs/dbraw/zinc/72/83/07/481728307.db2.gz HMZOZOYRBXQVGW-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335745 481734647 /nfs/dbraw/zinc/73/46/47/481734647.db2.gz PRYGWGCPMFQSBJ-WMZOPIPTSA-N 1 3 339.487 2.760 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335745 481734655 /nfs/dbraw/zinc/73/46/55/481734655.db2.gz PRYGWGCPMFQSBJ-WMZOPIPTSA-N 1 3 339.487 2.760 20 0 EFADHO CCOc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000667683169 481735518 /nfs/dbraw/zinc/73/55/18/481735518.db2.gz HDVZYILZRYQLNA-RXVVDRJESA-N 1 3 345.531 2.852 20 0 EFADHO COc1ccc([C@H](N[C@@H]2CCN(C(C)(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665236685 481737409 /nfs/dbraw/zinc/73/74/09/481737409.db2.gz SADFYEKBCWDYNN-NEWSRXKRSA-N 1 3 331.504 2.951 20 0 EFADHO COc1ccc([C@H](N[C@@H]2CCN(C(C)(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000665236686 481737711 /nfs/dbraw/zinc/73/77/11/481737711.db2.gz SADFYEKBCWDYNN-QRQLOZEOSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H](NCc1ccc(CO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647323299 481761545 /nfs/dbraw/zinc/76/15/45/481761545.db2.gz XUUPAPKVICRRFX-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667724123 481761980 /nfs/dbraw/zinc/76/19/80/481761980.db2.gz XQYKKSTYCMOSFW-QAPCUYQASA-N 1 3 328.460 2.626 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667724123 481761990 /nfs/dbraw/zinc/76/19/90/481761990.db2.gz XQYKKSTYCMOSFW-QAPCUYQASA-N 1 3 328.460 2.626 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667732570 481770594 /nfs/dbraw/zinc/77/05/94/481770594.db2.gz NGCZVIJSIIFCRI-UHFFFAOYSA-N 1 3 326.444 2.741 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000662383047 481775353 /nfs/dbraw/zinc/77/53/53/481775353.db2.gz IEJFHPPMSCYLNK-IBGZPJMESA-N 1 3 345.531 2.821 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662403010 481786994 /nfs/dbraw/zinc/78/69/94/481786994.db2.gz RLLPSECJNCCUHU-JENIJYKNSA-N 1 3 331.504 2.949 20 0 EFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000648852768 481787229 /nfs/dbraw/zinc/78/72/29/481787229.db2.gz CHXPSZWPNSDALM-LCWAXJCOSA-N 1 3 341.499 2.531 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662403338 481788824 /nfs/dbraw/zinc/78/88/24/481788824.db2.gz UXCCNYJQDSCWKN-HUUCEWRRSA-N 1 3 329.488 2.776 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637839109 481801748 /nfs/dbraw/zinc/80/17/48/481801748.db2.gz HGUZFCMBBLTJNU-SFHVURJKSA-N 1 3 335.451 2.793 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637839109 481801755 /nfs/dbraw/zinc/80/17/55/481801755.db2.gz HGUZFCMBBLTJNU-SFHVURJKSA-N 1 3 335.451 2.793 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000667781658 481802015 /nfs/dbraw/zinc/80/20/15/481802015.db2.gz PICCVVDYUWEASB-FUHWJXTLSA-N 1 3 332.488 2.717 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000667781658 481802025 /nfs/dbraw/zinc/80/20/25/481802025.db2.gz PICCVVDYUWEASB-FUHWJXTLSA-N 1 3 332.488 2.717 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)Nc1cnc2c(c1)CNCC2 ZINC000667795640 481811790 /nfs/dbraw/zinc/81/17/90/481811790.db2.gz JZPCNBUDIMVFGS-UHFFFAOYSA-N 1 3 345.491 2.505 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc21 ZINC000662451468 481812442 /nfs/dbraw/zinc/81/24/42/481812442.db2.gz BPCCJNAHXIMHPN-OALUTQOASA-N 1 3 341.499 2.766 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654358106 481819065 /nfs/dbraw/zinc/81/90/65/481819065.db2.gz WKJWDXNNJRDJER-QYZOEREBSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000654358106 481819070 /nfs/dbraw/zinc/81/90/70/481819070.db2.gz WKJWDXNNJRDJER-QYZOEREBSA-N 1 3 344.503 2.605 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662463708 481819441 /nfs/dbraw/zinc/81/94/41/481819441.db2.gz FXPRQJPJZKQKCD-UHFFFAOYSA-N 1 3 349.544 2.978 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662463708 481819446 /nfs/dbraw/zinc/81/94/46/481819446.db2.gz FXPRQJPJZKQKCD-UHFFFAOYSA-N 1 3 349.544 2.978 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648904787 481821783 /nfs/dbraw/zinc/82/17/83/481821783.db2.gz SQZCYWWMJQYZGM-ATZDWAIDSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC000648904787 481821794 /nfs/dbraw/zinc/82/17/94/481821794.db2.gz SQZCYWWMJQYZGM-ATZDWAIDSA-N 1 3 347.503 2.533 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc2c1CNC2 ZINC000662481912 481831818 /nfs/dbraw/zinc/83/18/18/481831818.db2.gz FCKLABOOMPXCTL-SFHVURJKSA-N 1 3 349.478 2.884 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc2c1CNC2 ZINC000662481912 481831827 /nfs/dbraw/zinc/83/18/27/481831827.db2.gz FCKLABOOMPXCTL-SFHVURJKSA-N 1 3 349.478 2.884 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662485959 481834092 /nfs/dbraw/zinc/83/40/92/481834092.db2.gz TWNFGEXPIPNVEB-QZTJIDSGSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000660229558 481843449 /nfs/dbraw/zinc/84/34/49/481843449.db2.gz LBJHEJPKCNOTMN-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000662505193 481846119 /nfs/dbraw/zinc/84/61/19/481846119.db2.gz PUTLQKZTVQGGEE-HNNXBMFYSA-N 1 3 345.409 2.594 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000662524590 481858515 /nfs/dbraw/zinc/85/85/15/481858515.db2.gz MMRCCFUSGRHPED-IBGZPJMESA-N 1 3 327.472 2.698 20 0 EFADHO CC[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)N1CCc2ccccc2C1 ZINC000662524247 481858847 /nfs/dbraw/zinc/85/88/47/481858847.db2.gz KJAVKWUUJNBSTO-LJQANCHMSA-N 1 3 349.478 2.857 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654415145 481860383 /nfs/dbraw/zinc/86/03/83/481860383.db2.gz HWFDXFHFOMZZRE-ROUUACIJSA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654415202 481860423 /nfs/dbraw/zinc/86/04/23/481860423.db2.gz KCNIVNFNXRJEFL-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654451418 481878762 /nfs/dbraw/zinc/87/87/62/481878762.db2.gz VBXDHCQJPYVOKN-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654451418 481878770 /nfs/dbraw/zinc/87/87/70/481878770.db2.gz VBXDHCQJPYVOKN-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662595820 481892381 /nfs/dbraw/zinc/89/23/81/481892381.db2.gz GNEOQCZLDXSAFJ-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662619555 481902658 /nfs/dbraw/zinc/90/26/58/481902658.db2.gz MMXQAKJFZWPVGJ-IAGOWNOFSA-N 1 3 329.488 2.668 20 0 EFADHO COC[C@H](CC(C)(C)C)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000651693530 481908426 /nfs/dbraw/zinc/90/84/26/481908426.db2.gz SBDVFBULGOGPDB-KRWDZBQOSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)N(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000649063802 481915733 /nfs/dbraw/zinc/91/57/33/481915733.db2.gz LPKDBNTUGTWUGE-YZGWKJHDSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)N(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000649063802 481915738 /nfs/dbraw/zinc/91/57/38/481915738.db2.gz LPKDBNTUGTWUGE-YZGWKJHDSA-N 1 3 343.515 2.838 20 0 EFADHO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000662670658 481925763 /nfs/dbraw/zinc/92/57/63/481925763.db2.gz YQQBQIYTIRLMEO-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662680044 481929764 /nfs/dbraw/zinc/92/97/64/481929764.db2.gz SNOYEJCRFSJTBZ-HNNXBMFYSA-N 1 3 335.517 2.634 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000662679994 481930906 /nfs/dbraw/zinc/93/09/06/481930906.db2.gz RDNXPVQIKJABIX-RBUKOAKNSA-N 1 3 329.488 2.848 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553075 481930992 /nfs/dbraw/zinc/93/09/92/481930992.db2.gz NHEYSEDZOLEZKK-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665553075 481930995 /nfs/dbraw/zinc/93/09/95/481930995.db2.gz NHEYSEDZOLEZKK-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO c1nnn(-c2ccccc2)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000651748565 481931435 /nfs/dbraw/zinc/93/14/35/481931435.db2.gz QANMUDIAYKAGRB-UHFFFAOYSA-N 1 3 348.454 2.669 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556711 481935255 /nfs/dbraw/zinc/93/52/55/481935255.db2.gz BPOUEOCSAPJIAT-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000665556711 481935259 /nfs/dbraw/zinc/93/52/59/481935259.db2.gz BPOUEOCSAPJIAT-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1CN1CC[C@@H](O)C1 ZINC000651758656 481935732 /nfs/dbraw/zinc/93/57/32/481935732.db2.gz JCRMUBSYMSLKKR-RTBURBONSA-N 1 3 334.504 2.794 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662696832 481938588 /nfs/dbraw/zinc/93/85/88/481938588.db2.gz WPPJRENDBHMADU-VQIMIIECSA-N 1 3 349.478 2.898 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(N)CC4(CCC4)C3)C2)CC1 ZINC000662697882 481939842 /nfs/dbraw/zinc/93/98/42/481939842.db2.gz DSOLYLIPILVOCW-QGZVFWFLSA-N 1 3 333.520 2.619 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCNC2 ZINC000662701343 481941568 /nfs/dbraw/zinc/94/15/68/481941568.db2.gz OVDLIRHADHGBDW-KRWDZBQOSA-N 1 3 329.488 2.717 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1CCNC2 ZINC000662701343 481941571 /nfs/dbraw/zinc/94/15/71/481941571.db2.gz OVDLIRHADHGBDW-KRWDZBQOSA-N 1 3 329.488 2.717 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654574402 481942736 /nfs/dbraw/zinc/94/27/36/481942736.db2.gz MFLQFXSOYVLLET-ROUUACIJSA-N 1 3 336.524 2.569 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416834 481946066 /nfs/dbraw/zinc/94/60/66/481946066.db2.gz XHJMIQNKSVDZOB-PBHICJAKSA-N 1 3 333.501 2.906 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000660416834 481946070 /nfs/dbraw/zinc/94/60/70/481946070.db2.gz XHJMIQNKSVDZOB-PBHICJAKSA-N 1 3 333.501 2.906 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662726561 481949701 /nfs/dbraw/zinc/94/97/01/481949701.db2.gz KYCOQTUWSLFPKU-NEWSRXKRSA-N 1 3 343.515 2.886 20 0 EFADHO CC[C@@H](N)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759554 481961791 /nfs/dbraw/zinc/96/17/91/481961791.db2.gz SZRYBQIOJSBOPC-MOPGFXCFSA-N 1 3 343.515 2.873 20 0 EFADHO C[N@H+](CCCN1CCCC1)CC[C@H]1Sc2ccccc2NC1=O ZINC000660465036 481975162 /nfs/dbraw/zinc/97/51/62/481975162.db2.gz VGZJYQXOKXTXAF-QGZVFWFLSA-N 1 3 333.501 2.907 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CC[C@H]1Sc2ccccc2NC1=O ZINC000660465036 481975166 /nfs/dbraw/zinc/97/51/66/481975166.db2.gz VGZJYQXOKXTXAF-QGZVFWFLSA-N 1 3 333.501 2.907 20 0 EFADHO CC(C)N1CCCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662824254 481985413 /nfs/dbraw/zinc/98/54/13/481985413.db2.gz ZVNAVKDQCFUROY-GOSISDBHSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000662841166 481992590 /nfs/dbraw/zinc/99/25/90/481992590.db2.gz HWIIAJGFPJEJQA-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000662845209 481993247 /nfs/dbraw/zinc/99/32/47/481993247.db2.gz FPGQGXVOTLEGJK-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCCCC1 ZINC000662845210 481993799 /nfs/dbraw/zinc/99/37/99/481993799.db2.gz FPGQGXVOTLEGJK-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N1CCCCCC1 ZINC000662866135 481997761 /nfs/dbraw/zinc/99/77/61/481997761.db2.gz FZAYSJRSJRQLON-ATZDWAIDSA-N 1 3 347.478 2.652 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H](N)c1ccccc1 ZINC000662865217 481998161 /nfs/dbraw/zinc/99/81/61/481998161.db2.gz LVKDLQDAAHGAKQ-YGWPLHOASA-N 1 3 337.467 2.584 20 0 EFADHO CCc1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2c1 ZINC000649268008 482003618 /nfs/dbraw/zinc/00/36/18/482003618.db2.gz RGAGGQGBCVLTGY-VQTJNVASSA-N 1 3 325.456 2.833 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000668158811 482006267 /nfs/dbraw/zinc/00/62/67/482006267.db2.gz ASTPSTUWIQRSIU-HKUYNNGSSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@H](C)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000668158811 482006271 /nfs/dbraw/zinc/00/62/71/482006271.db2.gz ASTPSTUWIQRSIU-HKUYNNGSSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)cc1 ZINC000668158811 482006274 /nfs/dbraw/zinc/00/62/74/482006274.db2.gz ASTPSTUWIQRSIU-HKUYNNGSSA-N 1 3 334.504 2.963 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(COC)cs1 ZINC000668160309 482007465 /nfs/dbraw/zinc/00/74/65/482007465.db2.gz YQCJIUSYGYCPMZ-QGZVFWFLSA-N 1 3 339.549 2.742 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(COC)cs1 ZINC000668160309 482007470 /nfs/dbraw/zinc/00/74/70/482007470.db2.gz YQCJIUSYGYCPMZ-QGZVFWFLSA-N 1 3 339.549 2.742 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@H](C)CCC[C@H]3C)CC2)CC1 ZINC000654713748 482009220 /nfs/dbraw/zinc/00/92/20/482009220.db2.gz UDDHHOHCVTUMLB-IAGOWNOFSA-N 1 3 335.536 2.972 20 0 EFADHO NC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000662922420 482012188 /nfs/dbraw/zinc/01/21/88/482012188.db2.gz VCOHHRRTZLKEGV-SFHVURJKSA-N 1 3 341.499 2.676 20 0 EFADHO NC1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000662922420 482012193 /nfs/dbraw/zinc/01/21/93/482012193.db2.gz VCOHHRRTZLKEGV-SFHVURJKSA-N 1 3 341.499 2.676 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727466 482016558 /nfs/dbraw/zinc/01/65/58/482016558.db2.gz NPYONLOSRUVXIT-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727228 482017167 /nfs/dbraw/zinc/01/71/67/482017167.db2.gz IEHBYAOPBWJNQT-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654727228 482017164 /nfs/dbraw/zinc/01/71/64/482017164.db2.gz IEHBYAOPBWJNQT-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663004027 482031415 /nfs/dbraw/zinc/03/14/15/482031415.db2.gz NZJAHOPXWSKRDZ-PKOBYXMFSA-N 1 3 343.515 2.951 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663004027 482031419 /nfs/dbraw/zinc/03/14/19/482031419.db2.gz NZJAHOPXWSKRDZ-PKOBYXMFSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000665758012 482037048 /nfs/dbraw/zinc/03/70/48/482037048.db2.gz JJTMZTKIBVJUBC-YVSFHVDLSA-N 1 3 345.487 2.604 20 0 EFADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)C1CCN(Cc2ccccc2)CC1 ZINC000649370584 482045747 /nfs/dbraw/zinc/04/57/47/482045747.db2.gz SFECNOPPLMAIDG-LJQANCHMSA-N 1 3 341.499 2.690 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660634934 482060759 /nfs/dbraw/zinc/06/07/59/482060759.db2.gz XCKPFDLFWHMAPW-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660634934 482060761 /nfs/dbraw/zinc/06/07/61/482060761.db2.gz XCKPFDLFWHMAPW-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417826 482069546 /nfs/dbraw/zinc/06/95/46/482069546.db2.gz IXGJJZLGUNPLAI-INMHGKMJSA-N 1 3 341.459 2.904 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1C ZINC000660653615 482071830 /nfs/dbraw/zinc/07/18/30/482071830.db2.gz CHKDSPHONGAFDJ-FPOVZHCZSA-N 1 3 346.515 2.769 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1C ZINC000660653615 482071834 /nfs/dbraw/zinc/07/18/34/482071834.db2.gz CHKDSPHONGAFDJ-FPOVZHCZSA-N 1 3 346.515 2.769 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C3CC3)C3CC3)CC2)CC1 ZINC000654842798 482072436 /nfs/dbraw/zinc/07/24/36/482072436.db2.gz LBLMDOBSOMBCTQ-UHFFFAOYSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652137754 482092580 /nfs/dbraw/zinc/09/25/80/482092580.db2.gz UZZDPCFCYRGJIO-LPHOPBHVSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000668490989 482142626 /nfs/dbraw/zinc/14/26/26/482142626.db2.gz YRIJYVMFGWGKGV-VQIMIIECSA-N 1 3 344.503 2.592 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C4CC4)C3)CC2)CC1 ZINC000655081757 482155149 /nfs/dbraw/zinc/15/51/49/482155149.db2.gz INDACXZEEYVACB-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cc(C4CC4)no3)CC2)CC1 ZINC000660835797 482170240 /nfs/dbraw/zinc/17/02/40/482170240.db2.gz YNAOTUJSVIFFRU-UHFFFAOYSA-N 1 3 332.492 2.544 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cc(C4CC4)no3)CC2)CC1 ZINC000660835797 482170244 /nfs/dbraw/zinc/17/02/44/482170244.db2.gz YNAOTUJSVIFFRU-UHFFFAOYSA-N 1 3 332.492 2.544 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652321840 482174027 /nfs/dbraw/zinc/17/40/27/482174027.db2.gz SHYNXEDORTXMLT-UHFFFAOYSA-N 1 3 338.540 2.674 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082545 482174923 /nfs/dbraw/zinc/17/49/23/482174923.db2.gz KBKVFNHXGBLVJF-QGZVFWFLSA-N 1 3 335.923 2.815 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082219 482175400 /nfs/dbraw/zinc/17/54/00/482175400.db2.gz OTTMUWPDPKXYJP-QGZVFWFLSA-N 1 3 335.923 2.813 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)CC1 ZINC000666090376 482177392 /nfs/dbraw/zinc/17/73/92/482177392.db2.gz YJEXXICWSSMWMK-CGTJXYLNSA-N 1 3 337.552 2.727 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C4CCC4)C3)CC2)CC1 ZINC000655149226 482183708 /nfs/dbraw/zinc/18/37/08/482183708.db2.gz KDXXURHEFUPVEU-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000652352160 482188172 /nfs/dbraw/zinc/18/81/72/482188172.db2.gz MSGWMMIRFCYKRM-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000652352160 482188176 /nfs/dbraw/zinc/18/81/76/482188176.db2.gz MSGWMMIRFCYKRM-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000652352160 482188178 /nfs/dbraw/zinc/18/81/78/482188178.db2.gz MSGWMMIRFCYKRM-KSSFIOAISA-N 1 3 346.862 2.993 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355717 482189330 /nfs/dbraw/zinc/18/93/30/482189330.db2.gz FBJMNVQQGZDKHI-DOTOQJQBSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CCN ZINC000652355717 482189332 /nfs/dbraw/zinc/18/93/32/482189332.db2.gz FBJMNVQQGZDKHI-DOTOQJQBSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355717 482189336 /nfs/dbraw/zinc/18/93/36/482189336.db2.gz FBJMNVQQGZDKHI-DOTOQJQBSA-N 1 3 333.476 2.863 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1(C)C ZINC000666134835 482190936 /nfs/dbraw/zinc/19/09/36/482190936.db2.gz NWEGXUYXITXSRG-MRXNPFEDSA-N 1 3 335.923 2.813 20 0 EFADHO COc1cc2ccccc2cc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000649696338 482193767 /nfs/dbraw/zinc/19/37/67/482193767.db2.gz WOYLMPFIGKTXIP-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO COc1cc2ccccc2cc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000649696338 482193771 /nfs/dbraw/zinc/19/37/71/482193771.db2.gz WOYLMPFIGKTXIP-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362876 482195098 /nfs/dbraw/zinc/19/50/98/482195098.db2.gz RRADUAUPIQHEOM-UHOSZYNNSA-N 1 3 331.460 2.506 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663467417 482254212 /nfs/dbraw/zinc/25/42/12/482254212.db2.gz FQXKRZOOCUYSPG-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467417 482254217 /nfs/dbraw/zinc/25/42/17/482254217.db2.gz FQXKRZOOCUYSPG-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCN(CC2CC2)C1 ZINC000663467417 482254221 /nfs/dbraw/zinc/25/42/21/482254221.db2.gz FQXKRZOOCUYSPG-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660991651 482262021 /nfs/dbraw/zinc/26/20/21/482262021.db2.gz MWKFDCNIXACRPM-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660991651 482262027 /nfs/dbraw/zinc/26/20/27/482262027.db2.gz MWKFDCNIXACRPM-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)s1 ZINC000663513314 482273918 /nfs/dbraw/zinc/27/39/18/482273918.db2.gz SGAJAIUNNVRNII-HNNXBMFYSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)s1 ZINC000663513314 482273922 /nfs/dbraw/zinc/27/39/22/482273922.db2.gz SGAJAIUNNVRNII-HNNXBMFYSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514449 482274028 /nfs/dbraw/zinc/27/40/28/482274028.db2.gz XZHADINXPBEZCL-OAHLLOKOSA-N 1 3 345.516 2.569 20 0 EFADHO Cc1ccsc1C[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663514449 482274033 /nfs/dbraw/zinc/27/40/33/482274033.db2.gz XZHADINXPBEZCL-OAHLLOKOSA-N 1 3 345.516 2.569 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655349636 482277259 /nfs/dbraw/zinc/27/72/59/482277259.db2.gz LMSMJAMTVKHVBN-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655349636 482277265 /nfs/dbraw/zinc/27/72/65/482277265.db2.gz LMSMJAMTVKHVBN-AQNXPRMDSA-N 1 3 341.499 2.642 20 0 EFADHO CCC[NH+]1CCC(Nc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000666319404 482278877 /nfs/dbraw/zinc/27/88/77/482278877.db2.gz ILXLEIWSAKJMNV-UHFFFAOYSA-N 1 3 330.520 2.720 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)N2CCCC2)cc1 ZINC000663869694 482413345 /nfs/dbraw/zinc/41/33/45/482413345.db2.gz AZKIULNIPNTHBT-HKUYNNGSSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCC[NH2+]1 ZINC000180995453 534264190 /nfs/dbraw/zinc/26/41/90/534264190.db2.gz RIBJYIKJTCYPSC-QAPCUYQASA-N 1 3 335.517 2.609 20 0 EFADHO CC(C)(C)C(=O)N1CCC(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000181713987 518560411 /nfs/dbraw/zinc/56/04/11/518560411.db2.gz YTQHENPEHVLBQD-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000181713987 518560421 /nfs/dbraw/zinc/56/04/21/518560421.db2.gz YTQHENPEHVLBQD-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H](CN3CCCC3)C2)CC1 ZINC000181713987 518560427 /nfs/dbraw/zinc/56/04/27/518560427.db2.gz YTQHENPEHVLBQD-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000263039962 519259295 /nfs/dbraw/zinc/25/92/95/519259295.db2.gz STIXEJCWSRXWSJ-WIYYLYMNSA-N 1 3 343.515 2.847 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC000172715396 519668446 /nfs/dbraw/zinc/66/84/46/519668446.db2.gz LLHFRVYVBJKLHC-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000236614429 519683452 /nfs/dbraw/zinc/68/34/52/519683452.db2.gz RIGZOSXXIGQZQL-FQEVSTJZSA-N 1 3 344.503 2.545 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1(C)C ZINC000181775077 519760192 /nfs/dbraw/zinc/76/01/92/519760192.db2.gz GWGUEFKICPRNMK-QXAKKESOSA-N 1 3 338.536 2.917 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)N(C)C ZINC000152675324 519809093 /nfs/dbraw/zinc/80/90/93/519809093.db2.gz HYYPUAHXHCTRGI-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)N(C)C ZINC000152675324 519809094 /nfs/dbraw/zinc/80/90/94/519809094.db2.gz HYYPUAHXHCTRGI-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131388 519872459 /nfs/dbraw/zinc/87/24/59/519872459.db2.gz NZIZQJHNODFGBC-HSALFYBXSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131388 519872460 /nfs/dbraw/zinc/87/24/60/519872460.db2.gz NZIZQJHNODFGBC-HSALFYBXSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131388 519872462 /nfs/dbraw/zinc/87/24/62/519872462.db2.gz NZIZQJHNODFGBC-HSALFYBXSA-N 1 3 343.515 2.793 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000066987493 520230807 /nfs/dbraw/zinc/23/08/07/520230807.db2.gz WQVJCAAMLMOVJA-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000066987493 520230810 /nfs/dbraw/zinc/23/08/10/520230810.db2.gz WQVJCAAMLMOVJA-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC000178955410 520367544 /nfs/dbraw/zinc/36/75/44/520367544.db2.gz SBTGFCYYPJVMPZ-UHFFFAOYSA-N 1 3 343.393 2.965 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000073165577 520399476 /nfs/dbraw/zinc/39/94/76/520399476.db2.gz LKBYUAUTSYUPSI-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C(=O)NC)c2)CC1 ZINC000073165577 520399481 /nfs/dbraw/zinc/39/94/81/520399481.db2.gz LKBYUAUTSYUPSI-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCCC2 ZINC000181705578 520423943 /nfs/dbraw/zinc/42/39/43/520423943.db2.gz BKARYFWOPMNIAF-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181492364 520573542 /nfs/dbraw/zinc/57/35/42/520573542.db2.gz VLFYUSJBXRKRJX-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCCC2 ZINC000181705596 520574081 /nfs/dbraw/zinc/57/40/81/520574081.db2.gz BKARYFWOPMNIAF-OALUTQOASA-N 1 3 337.552 2.732 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000066596193 520580762 /nfs/dbraw/zinc/58/07/62/520580762.db2.gz IYEUPVCYLPDGFM-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(C2CC2)CC1 ZINC000066596193 520580769 /nfs/dbraw/zinc/58/07/69/520580769.db2.gz IYEUPVCYLPDGFM-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000079008265 520613821 /nfs/dbraw/zinc/61/38/21/520613821.db2.gz FQLBEQVNIQFMPT-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CC[NH+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077750997 520672739 /nfs/dbraw/zinc/67/27/39/520672739.db2.gz ZWAADNQOWQDYGN-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CC1CCC(N(C)C(=O)CN2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374075990 520928818 /nfs/dbraw/zinc/92/88/18/520928818.db2.gz YSYXIVFBILSTSF-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000236661101 521037615 /nfs/dbraw/zinc/03/76/15/521037615.db2.gz CREXELGUVIVFLO-CTNGQTDRSA-N 1 3 343.515 2.966 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000078454201 521065184 /nfs/dbraw/zinc/06/51/84/521065184.db2.gz LEKXCCNXVHPJGY-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000078454201 521065194 /nfs/dbraw/zinc/06/51/94/521065194.db2.gz LEKXCCNXVHPJGY-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000078454212 521069937 /nfs/dbraw/zinc/06/99/37/521069937.db2.gz LEKXCCNXVHPJGY-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 ZINC000078454212 521069941 /nfs/dbraw/zinc/06/99/41/521069941.db2.gz LEKXCCNXVHPJGY-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236867776 521212787 /nfs/dbraw/zinc/21/27/87/521212787.db2.gz DOZTYDBIKFLKCB-IBGZPJMESA-N 1 3 344.503 2.675 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000245930108 521598642 /nfs/dbraw/zinc/59/86/42/521598642.db2.gz YOILHDUOPHQSII-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000245930108 521598650 /nfs/dbraw/zinc/59/86/50/521598650.db2.gz YOILHDUOPHQSII-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000154472095 521679760 /nfs/dbraw/zinc/67/97/60/521679760.db2.gz CDLUFNIOZNAMMT-FQEVSTJZSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CCN(Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000193080478 521689070 /nfs/dbraw/zinc/68/90/70/521689070.db2.gz YIFOAIOKJXVHKK-SEJPIABJSA-N 1 3 342.531 2.861 20 0 EFADHO CCN1CCN(Cc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000193080478 521689072 /nfs/dbraw/zinc/68/90/72/521689072.db2.gz YIFOAIOKJXVHKK-SEJPIABJSA-N 1 3 342.531 2.861 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](CC)N2CCCC2)[C@@H](C)C1 ZINC000151674876 521708050 /nfs/dbraw/zinc/70/80/50/521708050.db2.gz ODXZTERVEQVFLZ-FHWLQOOXSA-N 1 3 325.541 2.587 20 0 EFADHO C[NH+](C)CCOCCNCc1cc(Br)c(Cl)s1 ZINC000234255085 521796225 /nfs/dbraw/zinc/79/62/25/521796225.db2.gz SFSSNDSYDQPURD-UHFFFAOYSA-N 1 3 341.702 2.832 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000263265223 521904059 /nfs/dbraw/zinc/90/40/59/521904059.db2.gz UWGQYBIYYPYUTN-LPOKXYRGSA-N 1 3 329.488 2.518 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245634525 522055888 /nfs/dbraw/zinc/05/58/88/522055888.db2.gz BNQMURRNVDZWRF-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245634525 522055899 /nfs/dbraw/zinc/05/58/99/522055899.db2.gz BNQMURRNVDZWRF-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO COC(=O)c1ccccc1-c1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)o1 ZINC000194536799 522256540 /nfs/dbraw/zinc/25/65/40/522256540.db2.gz QTCCCUNFUZJOMX-GASCZTMLSA-N 1 3 340.423 2.727 20 0 EFADHO COC(=O)c1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)o1 ZINC000194536799 522256549 /nfs/dbraw/zinc/25/65/49/522256549.db2.gz QTCCCUNFUZJOMX-GASCZTMLSA-N 1 3 340.423 2.727 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245634527 523919543 /nfs/dbraw/zinc/91/95/43/523919543.db2.gz BNQMURRNVDZWRF-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000245634527 523919548 /nfs/dbraw/zinc/91/95/48/523919548.db2.gz BNQMURRNVDZWRF-SJORKVTESA-N 1 3 334.508 2.536 20 0 EFADHO CN(C)[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccccc1 ZINC000184901081 524046994 /nfs/dbraw/zinc/04/69/94/524046994.db2.gz BCHSROZRSHPKIS-GOSISDBHSA-N 1 3 346.519 2.711 20 0 EFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCC1 ZINC000150885733 524059292 /nfs/dbraw/zinc/05/92/92/524059292.db2.gz YMHMZJVAGGFVQS-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)CCN(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000150885733 524059294 /nfs/dbraw/zinc/05/92/94/524059294.db2.gz YMHMZJVAGGFVQS-INIZCTEOSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000192744502 524096194 /nfs/dbraw/zinc/09/61/94/524096194.db2.gz HCCHQSHCMPYNNI-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000192744502 524096202 /nfs/dbraw/zinc/09/62/02/524096202.db2.gz HCCHQSHCMPYNNI-MOPGFXCFSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000072020157 524104898 /nfs/dbraw/zinc/10/48/98/524104898.db2.gz KMHAFJUXPZWFKB-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCN(C)Cc1ccccc1 ZINC000072020157 524104903 /nfs/dbraw/zinc/10/49/03/524104903.db2.gz KMHAFJUXPZWFKB-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072027650 524330730 /nfs/dbraw/zinc/33/07/30/524330730.db2.gz KWONXECZBYAHAE-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072027650 524330738 /nfs/dbraw/zinc/33/07/38/524330738.db2.gz KWONXECZBYAHAE-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000181337047 524421975 /nfs/dbraw/zinc/42/19/75/524421975.db2.gz FVNPXLJIJOQROH-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280755 524558140 /nfs/dbraw/zinc/55/81/40/524558140.db2.gz OFRHCQZMLYHEQN-OBJOEFQTSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000154280755 524558145 /nfs/dbraw/zinc/55/81/45/524558145.db2.gz OFRHCQZMLYHEQN-OBJOEFQTSA-N 1 3 347.286 2.663 20 0 EFADHO Cc1cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1Cl ZINC000180425661 524675525 /nfs/dbraw/zinc/67/55/25/524675525.db2.gz DKCVOINEOWQKBF-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO Cc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)c1 ZINC000192664537 524836554 /nfs/dbraw/zinc/83/65/54/524836554.db2.gz NGJIYPYKQYZOQW-OTYNDTSQSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2CCC2)CC1 ZINC000173916127 534813298 /nfs/dbraw/zinc/81/32/98/534813298.db2.gz VBNAYNAPGXEDQD-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000156504018 524842919 /nfs/dbraw/zinc/84/29/19/524842919.db2.gz IUDFCDWDVVNEHY-CGTJXYLNSA-N 1 3 347.478 2.624 20 0 EFADHO O=C1OCC[C@H]1CC[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159234928 534814528 /nfs/dbraw/zinc/81/45/28/534814528.db2.gz SCQSEXHVRHZNMB-AQNXPRMDSA-N 1 3 342.483 2.926 20 0 EFADHO O=C1OCC[C@H]1CC[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159234928 534814531 /nfs/dbraw/zinc/81/45/31/534814531.db2.gz SCQSEXHVRHZNMB-AQNXPRMDSA-N 1 3 342.483 2.926 20 0 EFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000195341780 525154002 /nfs/dbraw/zinc/15/40/02/525154002.db2.gz HTYWGLGNAVYMHD-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1 ZINC000056523276 525158906 /nfs/dbraw/zinc/15/89/06/525158906.db2.gz JXCZHYRPPRJOTN-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@]1(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237565885 525207684 /nfs/dbraw/zinc/20/76/84/525207684.db2.gz IMOUKCGYLULBAJ-QUCCMNQESA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]1C[C@@H](NCCNc2cccc(Br)c2)CC[N@@H+]1C ZINC000181357643 525265017 /nfs/dbraw/zinc/26/50/17/525265017.db2.gz AQTBDTFRVOHLPQ-DOMZBBRYSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@@H]1C[C@@H](NCCNc2cccc(Br)c2)CC[N@H+]1C ZINC000181357643 525265024 /nfs/dbraw/zinc/26/50/24/525265024.db2.gz AQTBDTFRVOHLPQ-DOMZBBRYSA-N 1 3 326.282 2.933 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263133394 525284071 /nfs/dbraw/zinc/28/40/71/525284071.db2.gz BWHHSJMBTNDTJK-WDYCEAGBSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CCC1 ZINC000090028741 525519550 /nfs/dbraw/zinc/51/95/50/525519550.db2.gz LMWJMYFTINOSJS-MRXNPFEDSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000263216895 525861884 /nfs/dbraw/zinc/86/18/84/525861884.db2.gz KZLLYFDIGAKHFJ-UYAOXDASSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000245201459 526086697 /nfs/dbraw/zinc/08/66/97/526086697.db2.gz JQSVNOBWWRFXBL-BRWVUGGUSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237481877 526092629 /nfs/dbraw/zinc/09/26/29/526092629.db2.gz QFYASNIEULMXSG-JXFKEZNVSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237409046 526096884 /nfs/dbraw/zinc/09/68/84/526096884.db2.gz QFYASNIEULMXSG-UZLBHIALSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](c1ccccn1)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000177295076 526126482 /nfs/dbraw/zinc/12/64/82/526126482.db2.gz JMNYEDPRBOATAF-MRXNPFEDSA-N 1 3 346.519 2.559 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000165037828 526696868 /nfs/dbraw/zinc/69/68/68/526696868.db2.gz CRPSAYFDRNJPGM-OALUTQOASA-N 1 3 343.515 2.718 20 0 EFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCCC1 ZINC000178746071 527127641 /nfs/dbraw/zinc/12/76/41/527127641.db2.gz OZLGAEGUBHPDHN-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3ccc(Br)cc3)C[C@@H]21 ZINC000230046568 527359905 /nfs/dbraw/zinc/35/99/05/527359905.db2.gz QOSCEVLSTOKOMN-VBNZEHGJSA-N 1 3 339.277 2.887 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000180463383 527612494 /nfs/dbraw/zinc/61/24/94/527612494.db2.gz BNIYRLJICJHUPO-AFDCHOCNSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000180463383 527612497 /nfs/dbraw/zinc/61/24/97/527612497.db2.gz BNIYRLJICJHUPO-AFDCHOCNSA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000180463383 527612505 /nfs/dbraw/zinc/61/25/05/527612505.db2.gz BNIYRLJICJHUPO-AFDCHOCNSA-N 1 3 326.484 2.814 20 0 EFADHO Cc1nn(C)c(C)c1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177507748 527629707 /nfs/dbraw/zinc/62/97/07/527629707.db2.gz RMQMMTRVLBLXII-HOTGVXAUSA-N 1 3 348.535 2.748 20 0 EFADHO CC(C)OC(=O)CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177499636 527779948 /nfs/dbraw/zinc/77/99/48/527779948.db2.gz VCLHGFJZCFQXQP-CALCHBBNSA-N 1 3 340.508 2.539 20 0 EFADHO CC(C)CN1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187115211 527963621 /nfs/dbraw/zinc/96/36/21/527963621.db2.gz OGRMRUIBZWAFGA-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000165949737 528038405 /nfs/dbraw/zinc/03/84/05/528038405.db2.gz ODTQPHKVDIXMLE-CRAIPNDOSA-N 1 3 349.475 2.651 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](N)Cc2ccccc2)c1 ZINC000164744108 528193751 /nfs/dbraw/zinc/19/37/51/528193751.db2.gz DLMPPQNAPVSTFS-FQEVSTJZSA-N 1 3 339.483 2.715 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129325463 528238472 /nfs/dbraw/zinc/23/84/72/528238472.db2.gz SYYIFOAAOHYNMM-HKUYNNGSSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181314471 528260341 /nfs/dbraw/zinc/26/03/41/528260341.db2.gz BYSRGCAHNLYGHE-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181314471 528260348 /nfs/dbraw/zinc/26/03/48/528260348.db2.gz BYSRGCAHNLYGHE-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000165996770 528834799 /nfs/dbraw/zinc/83/47/99/528834799.db2.gz KEDRILPSMLQRNH-HXUWFJFHSA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000165996770 528834803 /nfs/dbraw/zinc/83/48/03/528834803.db2.gz KEDRILPSMLQRNH-HXUWFJFHSA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000157797380 528896703 /nfs/dbraw/zinc/89/67/03/528896703.db2.gz HYAFFEZLZANMAD-LJQANCHMSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000153629968 528911180 /nfs/dbraw/zinc/91/11/80/528911180.db2.gz KXMXLQQGGGSLPD-HXUWFJFHSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000153629968 528911183 /nfs/dbraw/zinc/91/11/83/528911183.db2.gz KXMXLQQGGGSLPD-HXUWFJFHSA-N 1 3 345.531 2.943 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000154527124 529143490 /nfs/dbraw/zinc/14/34/90/529143490.db2.gz WXTHUTWJYPQINO-QGZVFWFLSA-N 1 3 349.519 2.772 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000181944545 529143795 /nfs/dbraw/zinc/14/37/95/529143795.db2.gz SHYDUJBAPFLZDL-KRWDZBQOSA-N 1 3 346.519 2.713 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000154325423 529144857 /nfs/dbraw/zinc/14/48/57/529144857.db2.gz NZUJFAYKXXIAIL-KRWDZBQOSA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)CCCOC)cc2)CC1 ZINC000178132836 529148847 /nfs/dbraw/zinc/14/88/47/529148847.db2.gz CKDDOAOONDZHOJ-SFHVURJKSA-N 1 3 333.520 2.729 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000356672680 534946105 /nfs/dbraw/zinc/94/61/05/534946105.db2.gz HQGHFLXTSSEPFH-APWZRJJASA-N 1 3 331.504 2.748 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000348842115 535009125 /nfs/dbraw/zinc/00/91/25/535009125.db2.gz DDOROCDCHULDKD-GOSISDBHSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000348842115 535009131 /nfs/dbraw/zinc/00/91/31/535009131.db2.gz DDOROCDCHULDKD-GOSISDBHSA-N 1 3 345.531 2.786 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418446041 535031768 /nfs/dbraw/zinc/03/17/68/535031768.db2.gz NSHGGPGYTRUXFQ-QZTJIDSGSA-N 1 3 328.460 2.656 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000236646244 535062443 /nfs/dbraw/zinc/06/24/43/535062443.db2.gz KTUHYXSJZUCRTP-MRXNPFEDSA-N 1 3 331.460 2.940 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418381082 535072357 /nfs/dbraw/zinc/07/23/57/535072357.db2.gz KUJGIZAZZBXZCZ-BHIYHBOVSA-N 1 3 346.519 2.664 20 0 EFADHO CCC(CC)[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])N1CCOCC1 ZINC000422820502 535147470 /nfs/dbraw/zinc/14/74/70/535147470.db2.gz QYVOUCWHFRCUMV-UIFIKXQLSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OC(F)(F)F)c2)CC1 ZINC000344630245 535164549 /nfs/dbraw/zinc/16/45/49/535164549.db2.gz LWJPNXNHMUIMEJ-UHFFFAOYSA-N 1 3 346.393 2.910 20 0 EFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000414813222 535194635 /nfs/dbraw/zinc/19/46/35/535194635.db2.gz STIIJUKRNYHOJR-CYBMUJFWSA-N 1 3 337.464 2.528 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425550753 535199320 /nfs/dbraw/zinc/19/93/20/535199320.db2.gz ISKUXTORDZOINL-HXUWFJFHSA-N 1 3 349.563 2.684 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425550753 535199323 /nfs/dbraw/zinc/19/93/23/535199323.db2.gz ISKUXTORDZOINL-HXUWFJFHSA-N 1 3 349.563 2.684 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344112596 535204394 /nfs/dbraw/zinc/20/43/94/535204394.db2.gz VCVSBPOHNPRTEB-RCCFBDPRSA-N 1 3 326.525 2.509 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2)CC1 ZINC000343875922 535204764 /nfs/dbraw/zinc/20/47/64/535204764.db2.gz WBSRHWOIOYAKAB-QFBILLFUSA-N 1 3 344.503 2.544 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000346276206 535204930 /nfs/dbraw/zinc/20/49/30/535204930.db2.gz GZQWUTHBDMTJCU-IAGOWNOFSA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417093616 535211205 /nfs/dbraw/zinc/21/12/05/535211205.db2.gz BTBKJPUGAGQUEU-OALUTQOASA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)N1CCc2nc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414786815 535252509 /nfs/dbraw/zinc/25/25/09/535252509.db2.gz UYAJCYODLNQNJQ-HOTGVXAUSA-N 1 3 348.560 2.731 20 0 EFADHO CC(C)CCOc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348973833 535386647 /nfs/dbraw/zinc/38/66/47/535386647.db2.gz JPBKLPOFKZYMDN-LJQANCHMSA-N 1 3 331.504 2.591 20 0 EFADHO CCN1CCC([NH2+]C[C@H]2OCCN(CC)[C@H]2c2ccccc2)CC1 ZINC000344839836 535474290 /nfs/dbraw/zinc/47/42/90/535474290.db2.gz CAOIAAZNAHGECU-UXHICEINSA-N 1 3 331.504 2.522 20 0 EFADHO CCN1CCO[C@H](CNC2CC[NH+](CC)CC2)[C@@H]1c1ccccc1 ZINC000344839836 535474292 /nfs/dbraw/zinc/47/42/92/535474292.db2.gz CAOIAAZNAHGECU-UXHICEINSA-N 1 3 331.504 2.522 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713290 535488463 /nfs/dbraw/zinc/48/84/63/535488463.db2.gz SJNGDLLLXVJFCR-LJQANCHMSA-N 1 3 343.515 2.833 20 0 EFADHO CCOc1ccccc1CN(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000349065092 535505254 /nfs/dbraw/zinc/50/52/54/535505254.db2.gz XHXAJXPTWOERDZ-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1ccccc1CN(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000349065092 535505259 /nfs/dbraw/zinc/50/52/59/535505259.db2.gz XHXAJXPTWOERDZ-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000343687255 535566335 /nfs/dbraw/zinc/56/63/35/535566335.db2.gz XHXWQKBIENKYJV-UHFFFAOYSA-N 1 3 343.581 2.640 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1C(C)(C)C ZINC000349071748 535594837 /nfs/dbraw/zinc/59/48/37/535594837.db2.gz HLPLTATWPAXXQJ-SFHVURJKSA-N 1 3 349.567 2.566 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cn(C)nc1C(C)(C)C ZINC000349071748 535594845 /nfs/dbraw/zinc/59/48/45/535594845.db2.gz HLPLTATWPAXXQJ-SFHVURJKSA-N 1 3 349.567 2.566 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000347529114 535594972 /nfs/dbraw/zinc/59/49/72/535594972.db2.gz TXSDDSFLTRFUNL-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000347529114 535594978 /nfs/dbraw/zinc/59/49/78/535594978.db2.gz TXSDDSFLTRFUNL-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266022613 535599243 /nfs/dbraw/zinc/59/92/43/535599243.db2.gz XHNVLNBTLDAMJF-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000359570472 535604588 /nfs/dbraw/zinc/60/45/88/535604588.db2.gz ZPJGOJWDFQICQU-RHSMWYFYSA-N 1 3 333.476 2.699 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000359217700 535608147 /nfs/dbraw/zinc/60/81/47/535608147.db2.gz CKDDVJABSGXJRC-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416831283 535672441 /nfs/dbraw/zinc/67/24/41/535672441.db2.gz ASXLKVPEDAICML-YTQUADARSA-N 1 3 346.519 2.757 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000236884398 535675822 /nfs/dbraw/zinc/67/58/22/535675822.db2.gz YGOAWRPTUKXSCR-HZPDHXFCSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000349714238 535718011 /nfs/dbraw/zinc/71/80/11/535718011.db2.gz LTNPBTMFJDCHJL-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000349713828 535719660 /nfs/dbraw/zinc/71/96/60/535719660.db2.gz LTNPBTMFJDCHJL-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1)C1CC1 ZINC000342721563 535781634 /nfs/dbraw/zinc/78/16/34/535781634.db2.gz HRXHHYMHDDEGEP-DFQSSKMNSA-N 1 3 341.499 2.870 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)C1 ZINC000344534760 535781645 /nfs/dbraw/zinc/78/16/45/535781645.db2.gz RRPYMZJICKDWDM-NLWGTHIKSA-N 1 3 345.531 2.816 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346285729 535862145 /nfs/dbraw/zinc/86/21/45/535862145.db2.gz MXQAZHZFWCAUOC-DOTOQJQBSA-N 1 3 337.895 2.748 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@@H]1C ZINC000414342446 535916443 /nfs/dbraw/zinc/91/64/43/535916443.db2.gz PPFBXWBKBGALMG-BEVDRBHNSA-N 1 3 343.515 2.908 20 0 EFADHO CN(C)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000263257419 535941800 /nfs/dbraw/zinc/94/18/00/535941800.db2.gz RDJCKQQXTHOZDX-FDIDQYAWSA-N 1 3 329.488 2.559 20 0 EFADHO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000411915800 535959154 /nfs/dbraw/zinc/95/91/54/535959154.db2.gz WYMAURWJYBAMGG-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000346117311 535975252 /nfs/dbraw/zinc/97/52/52/535975252.db2.gz AKLNSDXPZDONPJ-UHFFFAOYSA-N 1 3 343.471 2.908 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000341232254 536006412 /nfs/dbraw/zinc/00/64/12/536006412.db2.gz XBFNZBWHKYHLIC-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCCC[NH2+]C2CCCCC2)cc1 ZINC000339431809 536006979 /nfs/dbraw/zinc/00/69/79/536006979.db2.gz FVQNOOHECOTRTJ-UHFFFAOYSA-N 1 3 346.519 2.860 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000263239652 536047185 /nfs/dbraw/zinc/04/71/85/536047185.db2.gz KRKVPLKDHPIBSM-MYMYQCDVSA-N 1 3 329.488 2.518 20 0 EFADHO CCc1cc(OC)ccc1CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000349036106 536156279 /nfs/dbraw/zinc/15/62/79/536156279.db2.gz MKHQUULBSNZYPR-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO CCc1cc(OC)ccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000349036106 536156283 /nfs/dbraw/zinc/15/62/83/536156283.db2.gz MKHQUULBSNZYPR-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO C[N@H+](CCC1CCN(c2ccncc2)CC1)Cc1ccnc(N)c1 ZINC000193466308 536323152 /nfs/dbraw/zinc/32/31/52/536323152.db2.gz CRPQXQOOEBFKHT-UHFFFAOYSA-N 1 3 325.460 2.797 20 0 EFADHO C[N@@H+](CCC1CCN(c2ccncc2)CC1)Cc1ccnc(N)c1 ZINC000193466308 536323155 /nfs/dbraw/zinc/32/31/55/536323155.db2.gz CRPQXQOOEBFKHT-UHFFFAOYSA-N 1 3 325.460 2.797 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000237109596 536456868 /nfs/dbraw/zinc/45/68/68/536456868.db2.gz YVDXNJYMFSCUOQ-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435628056 536571617 /nfs/dbraw/zinc/57/16/17/536571617.db2.gz TXRIBSDBSVLZSP-AWEZNQCLSA-N 1 3 339.867 2.751 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344633055 536589560 /nfs/dbraw/zinc/58/95/60/536589560.db2.gz QNPIMLMKZWGUHO-TZMCWYRMSA-N 1 3 346.427 2.800 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344633055 536589561 /nfs/dbraw/zinc/58/95/61/536589561.db2.gz QNPIMLMKZWGUHO-TZMCWYRMSA-N 1 3 346.427 2.800 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344633049 536589586 /nfs/dbraw/zinc/58/95/86/536589586.db2.gz QNPIMLMKZWGUHO-JSGCOSHPSA-N 1 3 346.427 2.800 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344633049 536589591 /nfs/dbraw/zinc/58/95/91/536589591.db2.gz QNPIMLMKZWGUHO-JSGCOSHPSA-N 1 3 346.427 2.800 20 0 EFADHO COC1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCCC1 ZINC000359751623 536680108 /nfs/dbraw/zinc/68/01/08/536680108.db2.gz ZOBWLFFHNOCEBW-UHFFFAOYSA-N 1 3 332.488 2.692 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cncc(OC)c2)CC1 ZINC000343699124 536777093 /nfs/dbraw/zinc/77/70/93/536777093.db2.gz WFVGJMAPFVQIDH-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cncc(OC)c2)CC1 ZINC000343699124 536777099 /nfs/dbraw/zinc/77/70/99/536777099.db2.gz WFVGJMAPFVQIDH-UHFFFAOYSA-N 1 3 335.492 2.661 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c(OC)c1 ZINC000414790914 536781186 /nfs/dbraw/zinc/78/11/86/536781186.db2.gz ARAADCGRZILHAS-DZKIICNBSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000414790914 536781190 /nfs/dbraw/zinc/78/11/90/536781190.db2.gz ARAADCGRZILHAS-DZKIICNBSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695625 536815167 /nfs/dbraw/zinc/81/51/67/536815167.db2.gz GUHNQTSKEHLMJM-NUJGCVRESA-N 1 3 345.487 2.795 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785435 536865764 /nfs/dbraw/zinc/86/57/64/536865764.db2.gz SSVKHPIJSMLUEN-HUUCEWRRSA-N 1 3 334.460 2.534 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785436 536866432 /nfs/dbraw/zinc/86/64/32/536866432.db2.gz SSVKHPIJSMLUEN-LSDHHAIUSA-N 1 3 334.460 2.534 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261545538 545619324 /nfs/dbraw/zinc/61/93/24/545619324.db2.gz BUHWNTZNYUYHRZ-DBVUQKKJSA-N 1 3 337.467 2.713 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261545545 545619524 /nfs/dbraw/zinc/61/95/24/545619524.db2.gz CCBORCUWSHIWLK-YZGWKJHDSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261545544 545619836 /nfs/dbraw/zinc/61/98/36/545619836.db2.gz CCBORCUWSHIWLK-HOJAQTOUSA-N 1 3 343.515 2.793 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000333835434 545894399 /nfs/dbraw/zinc/89/43/99/545894399.db2.gz UEMFTNDVUGVBGU-SJORKVTESA-N 1 3 336.524 2.602 20 0 EFADHO COc1ccc(C2(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339076664 545922733 /nfs/dbraw/zinc/92/27/33/545922733.db2.gz WTMSOTCSDVXERA-OALUTQOASA-N 1 3 344.499 2.960 20 0 EFADHO COc1ccc(C2(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339076664 545922736 /nfs/dbraw/zinc/92/27/36/545922736.db2.gz WTMSOTCSDVXERA-OALUTQOASA-N 1 3 344.499 2.960 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000339236047 545924337 /nfs/dbraw/zinc/92/43/37/545924337.db2.gz WGELDYGFPFPFJH-INIZCTEOSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1cccs1 ZINC000339236047 545924340 /nfs/dbraw/zinc/92/43/40/545924340.db2.gz WGELDYGFPFPFJH-INIZCTEOSA-N 1 3 337.533 2.903 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339232877 545924571 /nfs/dbraw/zinc/92/45/71/545924571.db2.gz NJVPWEABZISZID-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000339232877 545924573 /nfs/dbraw/zinc/92/45/73/545924573.db2.gz NJVPWEABZISZID-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000339271146 545927181 /nfs/dbraw/zinc/92/71/81/545927181.db2.gz AKCVEVXKRCYEEO-QGZVFWFLSA-N 1 3 347.503 2.967 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000339271146 545927186 /nfs/dbraw/zinc/92/71/86/545927186.db2.gz AKCVEVXKRCYEEO-QGZVFWFLSA-N 1 3 347.503 2.967 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000339259559 545927546 /nfs/dbraw/zinc/92/75/46/545927546.db2.gz WZXGSNCVRJIAJC-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)N(C)C)cc1 ZINC000339259559 545927548 /nfs/dbraw/zinc/92/75/48/545927548.db2.gz WZXGSNCVRJIAJC-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344067319 545962421 /nfs/dbraw/zinc/96/24/21/545962421.db2.gz UCCOXCRUHAELMY-KRWDZBQOSA-N 1 3 335.492 2.824 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000344067319 545962419 /nfs/dbraw/zinc/96/24/19/545962419.db2.gz UCCOXCRUHAELMY-KRWDZBQOSA-N 1 3 335.492 2.824 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(Cc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000349195600 545997460 /nfs/dbraw/zinc/99/74/60/545997460.db2.gz SVQHKHUZYJOFLR-HNNXBMFYSA-N 1 3 330.398 2.609 20 0 EFADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000351143183 546039921 /nfs/dbraw/zinc/03/99/21/546039921.db2.gz KDQZVEQNUKULLV-RMMWZPCPSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000351143183 546039925 /nfs/dbraw/zinc/03/99/25/546039925.db2.gz KDQZVEQNUKULLV-RMMWZPCPSA-N 1 3 340.552 2.731 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000352090055 546046390 /nfs/dbraw/zinc/04/63/90/546046390.db2.gz UTTNYCSOKLGQRI-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO COc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC000414127013 546186825 /nfs/dbraw/zinc/18/68/25/546186825.db2.gz RWCSALCIYIQBQQ-INIZCTEOSA-N 1 3 347.503 2.597 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414925074 546194441 /nfs/dbraw/zinc/19/44/41/546194441.db2.gz KZGVZMBIOIITKW-FVQBIDKESA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414925074 546194445 /nfs/dbraw/zinc/19/44/45/546194445.db2.gz KZGVZMBIOIITKW-FVQBIDKESA-N 1 3 337.895 2.937 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000417353933 546208670 /nfs/dbraw/zinc/20/86/70/546208670.db2.gz KOVVEMVWPACRRT-FHWLQOOXSA-N 1 3 344.503 2.701 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)CC[NH2+]C)c1ccc(Cl)cc1 ZINC000418183267 546214293 /nfs/dbraw/zinc/21/42/93/546214293.db2.gz OCOMLYCVNGCZRK-MRXNPFEDSA-N 1 3 340.899 2.584 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3scnc3C3CC3)CC2)CC1 ZINC000486935827 546270036 /nfs/dbraw/zinc/27/00/36/546270036.db2.gz DDXSSQXEVOZOMB-UHFFFAOYSA-N 1 3 334.533 2.669 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000535083208 546322529 /nfs/dbraw/zinc/32/25/29/546322529.db2.gz RERYJHYSQGPUAV-UHFFFAOYSA-N 1 3 332.414 2.998 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000535083208 546322532 /nfs/dbraw/zinc/32/25/32/546322532.db2.gz RERYJHYSQGPUAV-UHFFFAOYSA-N 1 3 332.414 2.998 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccsc1 ZINC000655444821 546450094 /nfs/dbraw/zinc/45/00/94/546450094.db2.gz QYTRWUZSCQCTBX-JFIYKMOQSA-N 1 3 335.517 2.637 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447174 546451145 /nfs/dbraw/zinc/45/11/45/546451145.db2.gz LEHWHBWUJHKFPI-OXJNMPFZSA-N 1 3 342.487 2.521 20 0 EFADHO C[NH+](C)CC(C)(C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000655550474 546481989 /nfs/dbraw/zinc/48/19/89/546481989.db2.gz NCCGVUSKILXTIW-SFHVURJKSA-N 1 3 346.519 2.853 20 0 EFADHO c1coc([C@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684774 546531957 /nfs/dbraw/zinc/53/19/57/546531957.db2.gz WNKQNOAKTYLOCM-MOPGFXCFSA-N 1 3 347.503 2.650 20 0 EFADHO c1coc([C@H](C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684774 546531964 /nfs/dbraw/zinc/53/19/64/546531964.db2.gz WNKQNOAKTYLOCM-MOPGFXCFSA-N 1 3 347.503 2.650 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCC(C)CC1 ZINC000655688815 546533708 /nfs/dbraw/zinc/53/37/08/546533708.db2.gz JUBGUKMIFCMOBF-UXHICEINSA-N 1 3 337.552 2.586 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccs1 ZINC000655690246 546534634 /nfs/dbraw/zinc/53/46/34/546534634.db2.gz JUHIFZMSOCCDPS-IRXDYDNUSA-N 1 3 337.533 2.584 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655690335 546535038 /nfs/dbraw/zinc/53/50/38/546535038.db2.gz MHCOLNMWARIRHW-WOJBJXKFSA-N 1 3 331.504 2.522 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655691447 546536148 /nfs/dbraw/zinc/53/61/48/546536148.db2.gz BAMKXAYJUZYWOD-WOJBJXKFSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655697418 546538661 /nfs/dbraw/zinc/53/86/61/546538661.db2.gz OXCFHCRXFXKMEA-LMMKCTJWSA-N 1 3 337.552 2.586 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655698216 546538875 /nfs/dbraw/zinc/53/88/75/546538875.db2.gz ZZYWAMRHTILHRI-VQTJNVASSA-N 1 3 349.494 2.661 20 0 EFADHO Cc1ccc([C@@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N(C)C)cc1 ZINC000655703721 546541428 /nfs/dbraw/zinc/54/14/28/546541428.db2.gz UIJBXVZDIQHEOH-LEWJYISDSA-N 1 3 345.531 2.831 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN([C@H]2CCOC2)CC1)N(C)Cc1ccccc1 ZINC000655719981 546548597 /nfs/dbraw/zinc/54/85/97/546548597.db2.gz YLFNDNOMHAWDBW-RXVVDRJESA-N 1 3 345.531 2.740 20 0 EFADHO Cc1ccc(-c2ncc(C[NH2+]CC3(O)CCN(C)CC3)s2)cc1C ZINC000655741510 546561173 /nfs/dbraw/zinc/56/11/73/546561173.db2.gz JSSPBXXTCQUPKS-UHFFFAOYSA-N 1 3 345.512 2.973 20 0 EFADHO COc1ccc(C[NH+](C)C)cc1NC1CCN(C[C@H]2CCCO2)CC1 ZINC000655749603 546565494 /nfs/dbraw/zinc/56/54/94/546565494.db2.gz GQLVTCVACFIATQ-GOSISDBHSA-N 1 3 347.503 2.812 20 0 EFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655908492 546632109 /nfs/dbraw/zinc/63/21/09/546632109.db2.gz WKRBGVALUMDQMA-ZWKOTPCHSA-N 1 3 330.476 2.935 20 0 EFADHO CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655908490 546632276 /nfs/dbraw/zinc/63/22/76/546632276.db2.gz WKRBGVALUMDQMA-ROUUACIJSA-N 1 3 330.476 2.935 20 0 EFADHO C[NH2+]C[C@](C)(O)CN1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655947992 546650077 /nfs/dbraw/zinc/65/00/77/546650077.db2.gz VYUYGFBUJRJSGM-SFHVURJKSA-N 1 3 326.431 2.580 20 0 EFADHO CNC[C@](C)(O)C[NH+]1CCC(CCc2ccc(F)cc2F)CC1 ZINC000655947992 546650083 /nfs/dbraw/zinc/65/00/83/546650083.db2.gz VYUYGFBUJRJSGM-SFHVURJKSA-N 1 3 326.431 2.580 20 0 EFADHO O=C1[C@@H]([NH2+]C2CCN(c3ccncc3)CC2)CCN1C1CCCCC1 ZINC000656508013 546824333 /nfs/dbraw/zinc/82/43/33/546824333.db2.gz KIMUVKVCGFIGKL-IBGZPJMESA-N 1 3 342.487 2.574 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000656699763 546893521 /nfs/dbraw/zinc/89/35/21/546893521.db2.gz GNIJXATZBGGDIO-INIZCTEOSA-N 1 3 328.884 2.742 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000656699763 546893525 /nfs/dbraw/zinc/89/35/25/546893525.db2.gz GNIJXATZBGGDIO-INIZCTEOSA-N 1 3 328.884 2.742 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786273 546923864 /nfs/dbraw/zinc/92/38/64/546923864.db2.gz RIJGUMZFSFRBCB-MRXNPFEDSA-N 1 3 348.487 2.924 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000656789709 546925153 /nfs/dbraw/zinc/92/51/53/546925153.db2.gz WCRWMWVRAWZOPF-CQSZACIVSA-N 1 3 337.895 2.938 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000657305043 547099394 /nfs/dbraw/zinc/09/93/94/547099394.db2.gz UIRJZGUBIXGYOR-FUHWJXTLSA-N 1 3 334.508 2.598 20 0 EFADHO CC(C)C[NH+]1CCC(NC[C@@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC000657305043 547099399 /nfs/dbraw/zinc/09/93/99/547099399.db2.gz UIRJZGUBIXGYOR-FUHWJXTLSA-N 1 3 334.508 2.598 20 0 EFADHO c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CCN(CC2CC2)CC1 ZINC000657319428 547109565 /nfs/dbraw/zinc/10/95/65/547109565.db2.gz YNRKYZBVZDYFFY-FQEVSTJZSA-N 1 3 330.472 2.818 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC000657356445 547128067 /nfs/dbraw/zinc/12/80/67/547128067.db2.gz MJCCHKRSSRRMPF-OAHLLOKOSA-N 1 3 346.393 2.754 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cc(F)ccc1OC(F)F ZINC000657356445 547128073 /nfs/dbraw/zinc/12/80/73/547128073.db2.gz MJCCHKRSSRRMPF-OAHLLOKOSA-N 1 3 346.393 2.754 20 0 EFADHO CCOc1ccc(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000657359266 547128893 /nfs/dbraw/zinc/12/88/93/547128893.db2.gz KUKJKKAGQUZCGU-GOSISDBHSA-N 1 3 331.504 2.652 20 0 EFADHO Cc1c[nH]c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000657387163 547140074 /nfs/dbraw/zinc/14/00/74/547140074.db2.gz SAMXDGKATZKGHQ-UHFFFAOYSA-N 1 3 342.487 2.879 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000657387368 547140523 /nfs/dbraw/zinc/14/05/23/547140523.db2.gz UFMIXJJFQINVNY-OXJNMPFZSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000657387368 547140528 /nfs/dbraw/zinc/14/05/28/547140528.db2.gz UFMIXJJFQINVNY-OXJNMPFZSA-N 1 3 346.519 2.884 20 0 EFADHO CO[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000657593090 547220428 /nfs/dbraw/zinc/22/04/28/547220428.db2.gz YLGNESDLZIMBQG-VAMGGRTRSA-N 1 3 332.488 2.825 20 0 EFADHO CO[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)COCc1ccccc1 ZINC000657593090 547220431 /nfs/dbraw/zinc/22/04/31/547220431.db2.gz YLGNESDLZIMBQG-VAMGGRTRSA-N 1 3 332.488 2.825 20 0 EFADHO CCn1nc(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1C ZINC000657612263 547228256 /nfs/dbraw/zinc/22/82/56/547228256.db2.gz KTHSKYLMNNQARD-UHFFFAOYSA-N 1 3 341.503 2.917 20 0 EFADHO c1ccc2c(c1)n[nH]c2C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612652 547228330 /nfs/dbraw/zinc/22/83/30/547228330.db2.gz ODKNHLGMWOURLF-UHFFFAOYSA-N 1 3 335.455 2.960 20 0 EFADHO COCc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)o1 ZINC000657612938 547228793 /nfs/dbraw/zinc/22/87/93/547228793.db2.gz GEHIDIMUQRTHTQ-UHFFFAOYSA-N 1 3 329.444 2.823 20 0 EFADHO CC(C)n1nccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613949 547229855 /nfs/dbraw/zinc/22/98/55/547229855.db2.gz YIBVXCJAESPGSQ-UHFFFAOYSA-N 1 3 327.476 2.861 20 0 EFADHO c1cn2c(cccc2C[NH2+]CC2CCN(Cc3ccncc3)CC2)n1 ZINC000657613921 547230009 /nfs/dbraw/zinc/23/00/09/547230009.db2.gz WUQOVITXPZNSJR-UHFFFAOYSA-N 1 3 335.455 2.731 20 0 EFADHO FC(F)(F)Oc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750164 547270453 /nfs/dbraw/zinc/27/04/53/547270453.db2.gz BYHOIADJVNXKMD-HNNXBMFYSA-N 1 3 344.377 2.928 20 0 EFADHO COc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1SC ZINC000657751721 547271349 /nfs/dbraw/zinc/27/13/49/547271349.db2.gz UOQBIEMOIRDXMU-MRXNPFEDSA-N 1 3 336.501 2.760 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657802445 547289159 /nfs/dbraw/zinc/28/91/59/547289159.db2.gz YKZMVTMJKHHRHV-MTQWCTHYSA-N 1 3 341.499 2.944 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657802445 547289161 /nfs/dbraw/zinc/28/91/61/547289161.db2.gz YKZMVTMJKHHRHV-MTQWCTHYSA-N 1 3 341.499 2.944 20 0 EFADHO COc1cc(OC)c(OC)cc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813088 547292664 /nfs/dbraw/zinc/29/26/64/547292664.db2.gz ZJEAZKOOCFXFHO-UHFFFAOYSA-N 1 3 348.487 2.924 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2ccncc2s1 ZINC000657831872 547296635 /nfs/dbraw/zinc/29/66/35/547296635.db2.gz DLBHKRCGARYGPQ-AWEZNQCLSA-N 1 3 332.517 2.973 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C(F)F)nc1 ZINC000657832840 547297062 /nfs/dbraw/zinc/29/70/62/547297062.db2.gz NDMXZCMEFRRNPG-CYBMUJFWSA-N 1 3 326.435 2.696 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3ccncc3s2)CC1 ZINC000657834496 547297077 /nfs/dbraw/zinc/29/70/77/547297077.db2.gz GGSHEDZNSKNCGH-OAHLLOKOSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000657838989 547298754 /nfs/dbraw/zinc/29/87/54/547298754.db2.gz IZWBZNZEQWAAKJ-KZNAEPCWSA-N 1 3 341.503 2.934 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000657840695 547299631 /nfs/dbraw/zinc/29/96/31/547299631.db2.gz VDZCJHZNCAHCNL-KURKYZTESA-N 1 3 341.503 2.934 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000657840696 547299915 /nfs/dbraw/zinc/29/99/15/547299915.db2.gz VDZCJHZNCAHCNL-KZNAEPCWSA-N 1 3 341.503 2.934 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000657972177 547326382 /nfs/dbraw/zinc/32/63/82/547326382.db2.gz VOMCNFYMAPYSLG-BTHPGYMESA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657972177 547326386 /nfs/dbraw/zinc/32/63/86/547326386.db2.gz VOMCNFYMAPYSLG-BTHPGYMESA-N 1 3 339.487 2.557 20 0 EFADHO C[C@H](Cn1cncn1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657972177 547326390 /nfs/dbraw/zinc/32/63/90/547326390.db2.gz VOMCNFYMAPYSLG-BTHPGYMESA-N 1 3 339.487 2.557 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094585 547354845 /nfs/dbraw/zinc/35/48/45/547354845.db2.gz YTOHRLFOGVXILF-KSZLIROESA-N 1 3 325.541 2.586 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@](C)(COCc2ccccc2)OC)[C@H](C)C1 ZINC000658133351 547366981 /nfs/dbraw/zinc/36/69/81/547366981.db2.gz PXBCOFJHPGKDAM-YZGWKJHDSA-N 1 3 334.504 2.928 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@](C)(COCc2ccccc2)OC)[C@H](C)C1 ZINC000658133351 547366984 /nfs/dbraw/zinc/36/69/84/547366984.db2.gz PXBCOFJHPGKDAM-YZGWKJHDSA-N 1 3 334.504 2.928 20 0 EFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166817 547378377 /nfs/dbraw/zinc/37/83/77/547378377.db2.gz PJIXOFCWOPVFED-FQEVSTJZSA-N 1 3 341.503 2.805 20 0 EFADHO Cc1ncncc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167534 547378459 /nfs/dbraw/zinc/37/84/59/547378459.db2.gz YJHSELYBHXZGTL-OAHLLOKOSA-N 1 3 325.460 2.743 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658168379 547378536 /nfs/dbraw/zinc/37/85/36/547378536.db2.gz WOQCELZXPWILBN-FXAWDEMLSA-N 1 3 330.520 2.614 20 0 EFADHO c1cc2n(n1)CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167329 547378999 /nfs/dbraw/zinc/37/89/99/547378999.db2.gz XNYHSCIZLJIPMU-GOSISDBHSA-N 1 3 325.460 2.615 20 0 EFADHO C([C@@H]1CCCO1)N1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2)CC1 ZINC000658231545 547392565 /nfs/dbraw/zinc/39/25/65/547392565.db2.gz VNPOLOOGXLSPBJ-ICSRJNTNSA-N 1 3 335.536 2.626 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)CN1CCC2(CCC2)CC1)c1ccccc1 ZINC000671729774 547661521 /nfs/dbraw/zinc/66/15/21/547661521.db2.gz ZVFJILYAVFKLPU-GOSISDBHSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671747979 547665936 /nfs/dbraw/zinc/66/59/36/547665936.db2.gz CYGALZSPVWJCSL-ZIAGYGMSSA-N 1 3 345.443 2.685 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753630 547666793 /nfs/dbraw/zinc/66/67/93/547666793.db2.gz KHYKIFQTTCBCDX-ZLIFDBKOSA-N 1 3 345.443 2.562 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671753629 547667439 /nfs/dbraw/zinc/66/74/39/547667439.db2.gz KHYKIFQTTCBCDX-VUCTXSBTSA-N 1 3 345.443 2.562 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672884232 547820574 /nfs/dbraw/zinc/82/05/74/547820574.db2.gz QKCTYFZNMSPUPN-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000673132072 547862931 /nfs/dbraw/zinc/86/29/31/547862931.db2.gz LFRQLMFHWFUYAJ-QXAKKESOSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000673132073 547863301 /nfs/dbraw/zinc/86/33/01/547863301.db2.gz LFRQLMFHWFUYAJ-UHOSZYNNSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673657705 547927902 /nfs/dbraw/zinc/92/79/02/547927902.db2.gz VMHQKLREEWHCQD-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000675184437 548222418 /nfs/dbraw/zinc/22/24/18/548222418.db2.gz ODHSQSRYYQGTOW-MOPGFXCFSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000675191208 548226132 /nfs/dbraw/zinc/22/61/32/548226132.db2.gz MABBJKGPYZJIJI-SFHVURJKSA-N 1 3 338.540 2.816 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000675198846 548227724 /nfs/dbraw/zinc/22/77/24/548227724.db2.gz ZDGBNHAWYZUDFV-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1 ZINC000675563317 548306856 /nfs/dbraw/zinc/30/68/56/548306856.db2.gz RPEVJTMUKKOLDG-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000675734009 548341296 /nfs/dbraw/zinc/34/12/96/548341296.db2.gz UTMZCGFJTNMGJJ-IEBWSBKVSA-N 1 3 325.541 2.587 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2nc(C)cs2)[C@@H](C)C1 ZINC000675749691 548345081 /nfs/dbraw/zinc/34/50/81/548345081.db2.gz XGMRBICRZOHEPA-HOCLYGCPSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2nc(C)cs2)[C@@H](C)C1 ZINC000675749691 548345084 /nfs/dbraw/zinc/34/50/84/548345084.db2.gz XGMRBICRZOHEPA-HOCLYGCPSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000675748882 548345839 /nfs/dbraw/zinc/34/58/39/548345839.db2.gz LHONPIWULBEYMM-YRPNKDGESA-N 1 3 339.568 2.691 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675779528 548350585 /nfs/dbraw/zinc/35/05/85/548350585.db2.gz CRGWTWDNBWHQLU-NQIIRXRSSA-N 1 3 345.531 2.729 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2Cc3ccccc3C2)[C@H](C)C1 ZINC000675779528 548350590 /nfs/dbraw/zinc/35/05/90/548350590.db2.gz CRGWTWDNBWHQLU-NQIIRXRSSA-N 1 3 345.531 2.729 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)[C@H](C)C1 ZINC000675916514 548375503 /nfs/dbraw/zinc/37/55/03/548375503.db2.gz ZVSMQKNCIUVIOG-SMOSDQRPSA-N 1 3 335.536 2.876 20 0 EFADHO CN1Cc2ccccc2[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000677426286 548698063 /nfs/dbraw/zinc/69/80/63/548698063.db2.gz PZJPVLASQDRUEM-NRFANRHFSA-N 1 3 339.483 2.903 20 0 EFADHO Cc1cc(C)cc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000677904650 548791621 /nfs/dbraw/zinc/79/16/21/548791621.db2.gz YJFMNNDSMBVNIH-TZIWHRDSSA-N 1 3 345.531 2.640 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000678285725 548889975 /nfs/dbraw/zinc/88/99/75/548889975.db2.gz YYYJORGTNNYUFO-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000678285725 548889980 /nfs/dbraw/zinc/88/99/80/548889980.db2.gz YYYJORGTNNYUFO-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000678285724 548890704 /nfs/dbraw/zinc/89/07/04/548890704.db2.gz YYYJORGTNNYUFO-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000678285724 548890708 /nfs/dbraw/zinc/89/07/08/548890708.db2.gz YYYJORGTNNYUFO-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO CC[N@H+](CCC1CCN(CCn2ccccc2=O)CC1)CC(C)C ZINC000678634599 548966443 /nfs/dbraw/zinc/96/64/43/548966443.db2.gz JYRLXHSJAVMXKW-UHFFFAOYSA-N 1 3 333.520 2.928 20 0 EFADHO CC[N@@H+](CCC1CCN(CCn2ccccc2=O)CC1)CC(C)C ZINC000678634599 548966449 /nfs/dbraw/zinc/96/64/49/548966449.db2.gz JYRLXHSJAVMXKW-UHFFFAOYSA-N 1 3 333.520 2.928 20 0 EFADHO C[C@H](NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000678687452 548974134 /nfs/dbraw/zinc/97/41/34/548974134.db2.gz ZACAZSZQGXMIPW-BBRMVZONSA-N 1 3 344.459 2.563 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCCCN1C)c1ccccc1OCC(=O)NC ZINC000678747913 548980811 /nfs/dbraw/zinc/98/08/11/548980811.db2.gz SKMBVRLUQCWTOJ-FUHWJXTLSA-N 1 3 347.503 2.727 20 0 EFADHO C[C@H](CCc1ccccc1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678828135 548997241 /nfs/dbraw/zinc/99/72/41/548997241.db2.gz VUGFKMAWHPOFPR-CTNGQTDRSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@H](CCc1ccccc1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678828135 548997244 /nfs/dbraw/zinc/99/72/44/548997244.db2.gz VUGFKMAWHPOFPR-CTNGQTDRSA-N 1 3 329.532 2.967 20 0 EFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)CCCC[NH+](C)C)cc1 ZINC000679412224 549124372 /nfs/dbraw/zinc/12/43/72/549124372.db2.gz MUTLUMRLNFOKLX-IBGZPJMESA-N 1 3 347.503 2.680 20 0 EFADHO C[C@@H](O)[C@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679628874 549160797 /nfs/dbraw/zinc/16/07/97/549160797.db2.gz MYYYOCSBSXITPD-MJGOQNOKSA-N 1 3 332.488 2.754 20 0 EFADHO c1ncn(CCC[NH2+][C@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000679723182 549190616 /nfs/dbraw/zinc/19/06/16/549190616.db2.gz JHEBQLPHLHUTKX-ZCNNSNEGSA-N 1 3 339.487 2.559 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC([C@H]3CCOC3)CC2)cc1 ZINC000680332755 549300362 /nfs/dbraw/zinc/30/03/62/549300362.db2.gz BJBBMVSZTAWSLL-IBGZPJMESA-N 1 3 332.488 2.876 20 0 EFADHO C[C@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000680399612 549316559 /nfs/dbraw/zinc/31/65/59/549316559.db2.gz IJQAXEJIXYHFTP-CVEARBPZSA-N 1 3 335.536 2.924 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000681313185 549507995 /nfs/dbraw/zinc/50/79/95/549507995.db2.gz PAJLHAKQLGMGNC-CABCVRRESA-N 1 3 333.476 2.509 20 0 EFADHO C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681491183 549547978 /nfs/dbraw/zinc/54/79/78/549547978.db2.gz DTXKFOQVMCMJOE-ZWKOTPCHSA-N 1 3 331.504 2.686 20 0 EFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNCc1ccc(O)cc1 ZINC000682406982 549734797 /nfs/dbraw/zinc/73/47/97/549734797.db2.gz KZMGYUUHQXCVBQ-LJQANCHMSA-N 1 3 326.440 2.639 20 0 EFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNCc1ccc(O)cc1 ZINC000682406982 549734800 /nfs/dbraw/zinc/73/48/00/549734800.db2.gz KZMGYUUHQXCVBQ-LJQANCHMSA-N 1 3 326.440 2.639 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccn(C)c(=O)c1 ZINC000682534301 549760254 /nfs/dbraw/zinc/76/02/54/549760254.db2.gz QMWBPKLMQXWIQE-LFUKPOHLSA-N 1 3 339.483 2.632 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccn(C)c(=O)c1 ZINC000682534301 549760257 /nfs/dbraw/zinc/76/02/57/549760257.db2.gz QMWBPKLMQXWIQE-LFUKPOHLSA-N 1 3 339.483 2.632 20 0 EFADHO O=C([C@@H]1CCCN1C1CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683844034 549954003 /nfs/dbraw/zinc/95/40/03/549954003.db2.gz IMLLBNNCTYSBFH-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(OCCN(C)C)cc1 ZINC000685442918 550152177 /nfs/dbraw/zinc/15/21/77/550152177.db2.gz HURVHDLOHWURNN-IEBWSBKVSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3ccc4cnccc4c3)CC2)CC1 ZINC000685455058 550153427 /nfs/dbraw/zinc/15/34/27/550153427.db2.gz MBLNIUJKNSLGHB-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000685455277 550153618 /nfs/dbraw/zinc/15/36/18/550153618.db2.gz HTCYWIYEXFRISU-LJQANCHMSA-N 1 3 343.515 2.512 20 0 EFADHO CSc1ccc(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)s1 ZINC000685615942 550170701 /nfs/dbraw/zinc/17/07/01/550170701.db2.gz GRAPXLKBXWJXMN-ZDUSSCGKSA-N 1 3 325.547 2.728 20 0 EFADHO Cc1nnc(CCNCc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000685624328 550171690 /nfs/dbraw/zinc/17/16/90/550171690.db2.gz XHOLLDKEYOSWSS-UHFFFAOYSA-N 1 3 346.500 2.653 20 0 EFADHO Cc1cnn([C@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000685852552 550187856 /nfs/dbraw/zinc/18/78/56/550187856.db2.gz OMHKWDSOVWEVOZ-SFHVURJKSA-N 1 3 328.460 2.579 20 0 EFADHO C[N@@H+]1CCCC[C@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405301 575432616 /nfs/dbraw/zinc/43/26/16/575432616.db2.gz ZDQHVJDJBWDFOD-HOTGVXAUSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCCC[C@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405301 575432619 /nfs/dbraw/zinc/43/26/19/575432619.db2.gz ZDQHVJDJBWDFOD-HOTGVXAUSA-N 1 3 325.497 2.754 20 0 EFADHO C[NH+]1CCC(CNCc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000756116109 575686934 /nfs/dbraw/zinc/68/69/34/575686934.db2.gz IZDKZQIHPHMJLM-UHFFFAOYSA-N 1 3 334.464 2.860 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000758687132 575875560 /nfs/dbraw/zinc/87/55/60/575875560.db2.gz UDRPVKBLIZRTKQ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000758687132 575875561 /nfs/dbraw/zinc/87/55/61/575875561.db2.gz UDRPVKBLIZRTKQ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cs1 ZINC000760215123 575991342 /nfs/dbraw/zinc/99/13/42/575991342.db2.gz HAWWRPKRNRACIG-CQSZACIVSA-N 1 3 343.924 2.890 20 0 EFADHO Cc1ccc(NC(=S)NCC2CC[NH+](C)CC2)c(CN(C)C)c1 ZINC000760485789 576032261 /nfs/dbraw/zinc/03/22/61/576032261.db2.gz NSRWILQOSPVILK-UHFFFAOYSA-N 1 3 334.533 2.685 20 0 EFADHO FC(F)(F)[C@H]1CCN(CCOCC[N@@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054819 576106273 /nfs/dbraw/zinc/10/62/73/576106273.db2.gz JSGBRISUJSXCCC-RYUDHWBXSA-N 1 3 348.331 2.771 20 0 EFADHO FC(F)(F)[C@H]1CCN(CCOCC[N@H+]2CC[C@H](C(F)(F)F)C2)C1 ZINC000761054819 576106277 /nfs/dbraw/zinc/10/62/77/576106277.db2.gz JSGBRISUJSXCCC-RYUDHWBXSA-N 1 3 348.331 2.771 20 0 EFADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000762743462 576328296 /nfs/dbraw/zinc/32/82/96/576328296.db2.gz BSJDAMUPEZEHJQ-SNVBAGLBSA-N 1 3 330.245 2.976 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764661798 576486566 /nfs/dbraw/zinc/48/65/66/576486566.db2.gz HCNPYYVGDMNPKX-PZJWPPBQSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@H](NCCC[NH+]1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000764661798 576486569 /nfs/dbraw/zinc/48/65/69/576486569.db2.gz HCNPYYVGDMNPKX-PZJWPPBQSA-N 1 3 345.531 2.742 20 0 EFADHO CN(C)c1ccc(N2CCC([NH2+]CCCN3CCCC3)CC2)cc1 ZINC000764667151 576487106 /nfs/dbraw/zinc/48/71/06/576487106.db2.gz PVVSLHVRZHMMAP-UHFFFAOYSA-N 1 3 330.520 2.797 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cnn(-c2ccccc2)c1 ZINC000764921487 576523787 /nfs/dbraw/zinc/52/37/87/576523787.db2.gz QFXMRTHQMIVORN-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc32)[C@H](C)C1 ZINC000765414909 577039874 /nfs/dbraw/zinc/03/98/74/577039874.db2.gz BNOJKERKMNJYFG-QUCCMNQESA-N 1 3 345.531 2.776 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc32)[C@H](C)C1 ZINC000765414909 577039876 /nfs/dbraw/zinc/03/98/76/577039876.db2.gz BNOJKERKMNJYFG-QUCCMNQESA-N 1 3 345.531 2.776 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000765438440 577042274 /nfs/dbraw/zinc/04/22/74/577042274.db2.gz IROGFQLOCWBNPA-CVEARBPZSA-N 1 3 328.460 2.699 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000765443160 577042979 /nfs/dbraw/zinc/04/29/79/577042979.db2.gz VKOKJZKFFRHYCZ-HZPDHXFCSA-N 1 3 328.460 2.699 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000765501423 577047475 /nfs/dbraw/zinc/04/74/75/577047475.db2.gz IWCLFLOEGBIWRQ-OSAQELSMSA-N 1 3 332.366 2.691 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000765501423 577047477 /nfs/dbraw/zinc/04/74/77/577047477.db2.gz IWCLFLOEGBIWRQ-OSAQELSMSA-N 1 3 332.366 2.691 20 0 EFADHO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000765629011 577060828 /nfs/dbraw/zinc/06/08/28/577060828.db2.gz GBVIIORRMSPGLB-DOTOQJQBSA-N 1 3 349.475 2.508 20 0 EFADHO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000765947142 577091219 /nfs/dbraw/zinc/09/12/19/577091219.db2.gz UMTWCXOXWXBSRN-SJLPKXTDSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCNc3ncccn3)CC2)C1 ZINC000766517239 577160854 /nfs/dbraw/zinc/16/08/54/577160854.db2.gz MHSKPWIZRAFUAD-FUHWJXTLSA-N 1 3 331.508 2.911 20 0 EFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCNc3ncccn3)CC2)C1 ZINC000766517239 577160858 /nfs/dbraw/zinc/16/08/58/577160858.db2.gz MHSKPWIZRAFUAD-FUHWJXTLSA-N 1 3 331.508 2.911 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000767411563 577207610 /nfs/dbraw/zinc/20/76/10/577207610.db2.gz NLPZIDAUFXFCEX-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000767411563 577207611 /nfs/dbraw/zinc/20/76/11/577207611.db2.gz NLPZIDAUFXFCEX-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO C[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000769684554 577378492 /nfs/dbraw/zinc/37/84/92/577378492.db2.gz NSKUKOADSNGHJZ-BZUAXINKSA-N 1 3 327.513 3.000 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000769684558 577378571 /nfs/dbraw/zinc/37/85/71/577378571.db2.gz NSKUKOADSNGHJZ-OWCLPIDISA-N 1 3 327.513 3.000 20 0 EFADHO O=C(OCCN1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000770375041 577413469 /nfs/dbraw/zinc/41/34/69/577413469.db2.gz SDGARWOEQWAHOA-IBGZPJMESA-N 1 3 330.472 2.928 20 0 EFADHO O=C(OCCN1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000770375041 577413470 /nfs/dbraw/zinc/41/34/70/577413470.db2.gz SDGARWOEQWAHOA-IBGZPJMESA-N 1 3 330.472 2.928 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000771335074 581199938 /nfs/dbraw/zinc/19/99/38/581199938.db2.gz PWXOCPHYMFRIAT-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000772201296 581294858 /nfs/dbraw/zinc/29/48/58/581294858.db2.gz VIKDUXKCOSEBEF-ROUUACIJSA-N 1 3 340.895 2.806 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cnc(C)s2)[C@@H](C)C1 ZINC000773084401 581395244 /nfs/dbraw/zinc/39/52/44/581395244.db2.gz ZAUFKJCLGZUUAV-WMLDXEAASA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cnc(C)s2)[C@@H](C)C1 ZINC000773084401 581395245 /nfs/dbraw/zinc/39/52/45/581395245.db2.gz ZAUFKJCLGZUUAV-WMLDXEAASA-N 1 3 325.522 2.721 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C=C(C1CC1)C1CC1 ZINC000725717340 581505946 /nfs/dbraw/zinc/50/59/46/581505946.db2.gz KGIDUNIFCIRKBW-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C=C(C1CC1)C1CC1 ZINC000725717340 581505947 /nfs/dbraw/zinc/50/59/47/581505947.db2.gz KGIDUNIFCIRKBW-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703577 606211498 /nfs/dbraw/zinc/21/14/98/606211498.db2.gz HYNPWNJPVBGSAB-ZDUSSCGKSA-N 1 3 334.493 2.672 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703577 606211499 /nfs/dbraw/zinc/21/14/99/606211499.db2.gz HYNPWNJPVBGSAB-ZDUSSCGKSA-N 1 3 334.493 2.672 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820703577 606211501 /nfs/dbraw/zinc/21/15/01/606211501.db2.gz HYNPWNJPVBGSAB-ZDUSSCGKSA-N 1 3 334.493 2.672 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(-c2nn[n-]n2)cs1 ZINC000820703577 606211503 /nfs/dbraw/zinc/21/15/03/606211503.db2.gz HYNPWNJPVBGSAB-ZDUSSCGKSA-N 1 3 334.493 2.672 20 0 EFADHO CCn1nccc1CN[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000119087075 1248892146 /nfs/dbraw/zinc/89/21/46/1248892146.db2.gz LXYBVNBAQNXUKC-OAHLLOKOSA-N 1 3 345.466 2.645 20 0 EFADHO CN(CC(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001752060047 1249250554 /nfs/dbraw/zinc/25/05/54/1249250554.db2.gz IMGDLXVDNXVAEH-HNNXBMFYSA-N 1 3 347.494 2.838 20 0 EFADHO CN(CC(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)CC(C)(C)C ZINC001752060047 1249250563 /nfs/dbraw/zinc/25/05/63/1249250563.db2.gz IMGDLXVDNXVAEH-HNNXBMFYSA-N 1 3 347.494 2.838 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)C23CCCN2CCC3)cc1 ZINC000289548085 1249621428 /nfs/dbraw/zinc/62/14/28/1249621428.db2.gz UELUHHLUECOOPB-UHFFFAOYSA-N 1 3 345.487 2.974 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530380 1249653195 /nfs/dbraw/zinc/65/31/95/1249653195.db2.gz RMWLUQNSXBQCNI-LQWHRVPQSA-N 1 3 349.563 2.983 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@H]([NH3+])C(C)(C)C)c(C)c2)CC1 ZINC000327015854 1247776000 /nfs/dbraw/zinc/77/60/00/1247776000.db2.gz GVQNIGOOTALXDE-SFHVURJKSA-N 1 3 346.519 2.839 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001753900885 1247871251 /nfs/dbraw/zinc/87/12/51/1247871251.db2.gz CNKUNGPDJFKOIY-CHWSQXEVSA-N 1 3 336.307 2.520 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000109443144 1248088371 /nfs/dbraw/zinc/08/83/71/1248088371.db2.gz LXPVZEXZHWIJDK-MOPGFXCFSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000109443144 1248088376 /nfs/dbraw/zinc/08/83/76/1248088376.db2.gz LXPVZEXZHWIJDK-MOPGFXCFSA-N 1 3 331.504 2.978 20 0 EFADHO CO[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000850513090 1250517324 /nfs/dbraw/zinc/51/73/24/1250517324.db2.gz DMPNLFKZBABZSI-MOPGFXCFSA-N 1 3 329.488 2.841 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000850546499 1250529518 /nfs/dbraw/zinc/52/95/18/1250529518.db2.gz KFASRFLSOMTJPO-OTWHNJEPSA-N 1 3 345.487 2.717 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000850546499 1250529527 /nfs/dbraw/zinc/52/95/27/1250529527.db2.gz KFASRFLSOMTJPO-OTWHNJEPSA-N 1 3 345.487 2.717 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000850546497 1250530279 /nfs/dbraw/zinc/53/02/79/1250530279.db2.gz KFASRFLSOMTJPO-GUDVDZBRSA-N 1 3 345.487 2.717 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000850546497 1250530284 /nfs/dbraw/zinc/53/02/84/1250530284.db2.gz KFASRFLSOMTJPO-GUDVDZBRSA-N 1 3 345.487 2.717 20 0 EFADHO C[C@@H]1C[C@H](C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CC[NH2+]1 ZINC000719857835 1251376814 /nfs/dbraw/zinc/37/68/14/1251376814.db2.gz MZSJHDNTKLQAMM-MISYRCLQSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC000722504969 1251427942 /nfs/dbraw/zinc/42/79/42/1251427942.db2.gz UWYHSYTXCYSDCQ-BHIYHBOVSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003969947 1265614272 /nfs/dbraw/zinc/61/42/72/1265614272.db2.gz FPMXBDPWOQETBR-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003969947 1265614278 /nfs/dbraw/zinc/61/42/78/1265614278.db2.gz FPMXBDPWOQETBR-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001106910518 1252413429 /nfs/dbraw/zinc/41/34/29/1252413429.db2.gz BQBKNGTXNJQGOF-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2F)[C@H](C)C1 ZINC001106910673 1252415512 /nfs/dbraw/zinc/41/55/12/1252415512.db2.gz JGUWUKXNQNGXKX-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001484339656 1252425157 /nfs/dbraw/zinc/42/51/57/1252425157.db2.gz ZAGSFCZIRZBVJL-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484359646 1252446043 /nfs/dbraw/zinc/44/60/43/1252446043.db2.gz XPDGYBUQIBXRCN-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484359645 1252446185 /nfs/dbraw/zinc/44/61/85/1252446185.db2.gz XPDGYBUQIBXRCN-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001484724050 1252809688 /nfs/dbraw/zinc/80/96/88/1252809688.db2.gz SXNNQIWCPAAKOK-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001484761855 1252888731 /nfs/dbraw/zinc/88/87/31/1252888731.db2.gz ZXNAGQLKOGAXEV-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001484761855 1252888742 /nfs/dbraw/zinc/88/87/42/1252888742.db2.gz ZXNAGQLKOGAXEV-UHFFFAOYSA-N 1 3 328.460 2.550 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995798889 1254708834 /nfs/dbraw/zinc/70/88/34/1254708834.db2.gz PRCUJMWKSYDOIP-IAGOWNOFSA-N 1 3 349.544 2.948 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)CC1(C)C ZINC000995896611 1254820994 /nfs/dbraw/zinc/82/09/94/1254820994.db2.gz PFVGRAPXGLDOAY-RBUKOAKNSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CC1 ZINC000995897448 1254821226 /nfs/dbraw/zinc/82/12/26/1254821226.db2.gz REUDJKANCFWEHJ-ZWKOTPCHSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CC1 ZINC000995897441 1254821308 /nfs/dbraw/zinc/82/13/08/1254821308.db2.gz REUDJKANCFWEHJ-QZTJIDSGSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)CCC1 ZINC000995883726 1254830795 /nfs/dbraw/zinc/83/07/95/1254830795.db2.gz FLLHFCQRGXMCAC-HNNXBMFYSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)C3(N(C)C)CCC3)CC2(C)C)cs1 ZINC000995887844 1254837021 /nfs/dbraw/zinc/83/70/21/1254837021.db2.gz QCJOLZJJAKSNAM-INIZCTEOSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC1(C)C ZINC000995888101 1254837870 /nfs/dbraw/zinc/83/78/70/1254837870.db2.gz RPTSKXIVAQHULD-GOSISDBHSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CC1 ZINC000995891195 1254838829 /nfs/dbraw/zinc/83/88/29/1254838829.db2.gz CPYKHZYNWVTWTM-ZWKOTPCHSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)c1 ZINC000995919514 1254841691 /nfs/dbraw/zinc/84/16/91/1254841691.db2.gz ROQHUQMNILQLOR-IBGZPJMESA-N 1 3 343.515 2.806 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)C1CCC1 ZINC000995920239 1254841921 /nfs/dbraw/zinc/84/19/21/1254841921.db2.gz UHCYEJHJQSMNIN-GOSISDBHSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000995929327 1254847054 /nfs/dbraw/zinc/84/70/54/1254847054.db2.gz VPVYCRYJZJLCJA-CVEARBPZSA-N 1 3 337.533 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)N(C)C ZINC000995928166 1254847251 /nfs/dbraw/zinc/84/72/51/1254847251.db2.gz SOPGRJBKWLIIOB-MSOLQXFVSA-N 1 3 349.494 2.739 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)N(C)C ZINC000995930056 1254849217 /nfs/dbraw/zinc/84/92/17/1254849217.db2.gz YYQZZXBQQUTZPH-IRXDYDNUSA-N 1 3 337.552 2.835 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995908209 1254852374 /nfs/dbraw/zinc/85/23/74/1254852374.db2.gz XVWSPIDLDGFBQH-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H](CC)N(C)C)CC2(C)C)cc1 ZINC000995944287 1254860245 /nfs/dbraw/zinc/86/02/45/1254860245.db2.gz BFRDGEFYXYQHHU-MOPGFXCFSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C(C)(C)C1)N(C)C ZINC000995948192 1254864120 /nfs/dbraw/zinc/86/41/20/1254864120.db2.gz JUOOQKIEJJQLCL-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000995949323 1254867428 /nfs/dbraw/zinc/86/74/28/1254867428.db2.gz MFDXBZYTRLHMRI-QZTJIDSGSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C(C)(C)C1)N(C)C ZINC000995954134 1254881735 /nfs/dbraw/zinc/88/17/35/1254881735.db2.gz WJFDMTCXCUDMMY-MSOLQXFVSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)CC2(C)C)cc1 ZINC000996293171 1255178201 /nfs/dbraw/zinc/17/82/01/1255178201.db2.gz BLWZXLPBRIHOFY-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN3CCC[C@@H]3C)CC2(C)C)cc1 ZINC000996293162 1255178360 /nfs/dbraw/zinc/17/83/60/1255178360.db2.gz BLWZXLPBRIHOFY-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC000996300868 1255184744 /nfs/dbraw/zinc/18/47/44/1255184744.db2.gz OWJKIOJQZDSPQI-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)CC2(C)C)cc1 ZINC000996300842 1255184910 /nfs/dbraw/zinc/18/49/10/1255184910.db2.gz OTJUHCNRMHYSDN-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC000996299834 1255185312 /nfs/dbraw/zinc/18/53/12/1255185312.db2.gz FBQBRNXLNRYOCU-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000996299882 1255185326 /nfs/dbraw/zinc/18/53/26/1255185326.db2.gz GGMVEEDCHJADJU-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CCCCC3)C(C)(C)C2)C1 ZINC000996300432 1255185359 /nfs/dbraw/zinc/18/53/59/1255185359.db2.gz MFAVSGUKOVQBSR-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000996313420 1255196987 /nfs/dbraw/zinc/19/69/87/1255196987.db2.gz CNGHZMMDPLKCCH-IRXDYDNUSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1)N(C)C ZINC000996315415 1255197485 /nfs/dbraw/zinc/19/74/85/1255197485.db2.gz OZLGJQHABGAGFQ-ZWKOTPCHSA-N 1 3 349.494 2.823 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C(C)(C)C1)N(C)C ZINC000996315671 1255197970 /nfs/dbraw/zinc/19/79/70/1255197970.db2.gz RWMJDTUMHZDDRA-ZWKOTPCHSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353550 1255240294 /nfs/dbraw/zinc/24/02/94/1255240294.db2.gz AORLBLYGAAASBO-CRAIPNDOSA-N 1 3 340.471 2.848 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC000996356232 1255243402 /nfs/dbraw/zinc/24/34/02/1255243402.db2.gz QXCZVTOYOSHEBI-KRWDZBQOSA-N 1 3 332.492 2.749 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC000996356257 1255243652 /nfs/dbraw/zinc/24/36/52/1255243652.db2.gz RDCJZNZEMBAJSE-QGZVFWFLSA-N 1 3 344.503 2.749 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357574 1255244609 /nfs/dbraw/zinc/24/46/09/1255244609.db2.gz YLHGKILJTMWMEL-SFHVURJKSA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996378146 1255259875 /nfs/dbraw/zinc/25/98/75/1255259875.db2.gz FMSGPZZUWGANIM-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1)N1CCCCCC1 ZINC000996379768 1255260723 /nfs/dbraw/zinc/26/07/23/1255260723.db2.gz ONQYXNVVPXZBQV-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996661897 1255671724 /nfs/dbraw/zinc/67/17/24/1255671724.db2.gz BKNISYRQHZKEEV-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996667751 1255689100 /nfs/dbraw/zinc/68/91/00/1255689100.db2.gz XYUHRQJCLXFTEW-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)CCC1 ZINC000996665998 1255703389 /nfs/dbraw/zinc/70/33/89/1255703389.db2.gz OGYFYBBTRFIZRC-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996669897 1255714604 /nfs/dbraw/zinc/71/46/04/1255714604.db2.gz ICNGXALFMJPXOG-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000996672436 1255720980 /nfs/dbraw/zinc/72/09/80/1255720980.db2.gz QTECKDGMNGDYLF-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC000996675071 1255721915 /nfs/dbraw/zinc/72/19/15/1255721915.db2.gz DZUMDGRNCUZWQQ-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996675256 1255723145 /nfs/dbraw/zinc/72/31/45/1255723145.db2.gz FTVASYRXEJDPIG-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996678267 1255727658 /nfs/dbraw/zinc/72/76/58/1255727658.db2.gz LXBUVSYBMLADMC-UZLBHIALSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996678264 1255727792 /nfs/dbraw/zinc/72/77/92/1255727792.db2.gz LXBUVSYBMLADMC-OXQOHEQNSA-N 1 3 343.515 2.977 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436502 1255812466 /nfs/dbraw/zinc/81/24/66/1255812466.db2.gz AGDGGMFTKCZIPJ-YQVWRLOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436502 1255812478 /nfs/dbraw/zinc/81/24/78/1255812478.db2.gz AGDGGMFTKCZIPJ-YQVWRLOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC000996711884 1255814518 /nfs/dbraw/zinc/81/45/18/1255814518.db2.gz MVOSKGKUXQXTCO-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000996712482 1255817934 /nfs/dbraw/zinc/81/79/34/1255817934.db2.gz PPUZAQAWVWMCPG-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439409 1255823614 /nfs/dbraw/zinc/82/36/14/1255823614.db2.gz ZWKBAACVSFJDNB-WSTZPKSXSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N(C)C)CCC[C@@H]12 ZINC001107439409 1255823624 /nfs/dbraw/zinc/82/36/24/1255823624.db2.gz ZWKBAACVSFJDNB-WSTZPKSXSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1)N(C)C ZINC000996720891 1255865964 /nfs/dbraw/zinc/86/59/64/1255865964.db2.gz VQLWBFTVUMQDHN-KBXCAEBGSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485064 1255952193 /nfs/dbraw/zinc/95/21/93/1255952193.db2.gz IAAWMRWVYKBNMR-SFHLNBCPSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485064 1255952196 /nfs/dbraw/zinc/95/21/96/1255952196.db2.gz IAAWMRWVYKBNMR-SFHLNBCPSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)[NH+](C)C ZINC001107533702 1256068529 /nfs/dbraw/zinc/06/85/29/1256068529.db2.gz BHJSIKULOWPZRI-FAMACXKFSA-N 1 3 341.927 2.686 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550047 1256100438 /nfs/dbraw/zinc/10/04/38/1256100438.db2.gz LQRKISQCCKXERY-ATZDWAIDSA-N 1 3 339.499 2.580 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC001107550047 1256100443 /nfs/dbraw/zinc/10/04/43/1256100443.db2.gz LQRKISQCCKXERY-ATZDWAIDSA-N 1 3 339.499 2.580 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)CC(C)(C)C ZINC001107552700 1256118496 /nfs/dbraw/zinc/11/84/96/1256118496.db2.gz SCSLKQUFMHIFRY-YLJYHZDGSA-N 1 3 335.536 2.735 20 0 EFADHO CN(CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)CC(C)(C)C ZINC001107552700 1256118504 /nfs/dbraw/zinc/11/85/04/1256118504.db2.gz SCSLKQUFMHIFRY-YLJYHZDGSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621725 1256319540 /nfs/dbraw/zinc/31/95/40/1256319540.db2.gz UXVFWDIWFNDDHB-POZUXBRTSA-N 1 3 332.492 2.668 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621725 1256319549 /nfs/dbraw/zinc/31/95/49/1256319549.db2.gz UXVFWDIWFNDDHB-POZUXBRTSA-N 1 3 332.492 2.668 20 0 EFADHO CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646111 1256371097 /nfs/dbraw/zinc/37/10/97/1256371097.db2.gz CNOCXVRVKJROHR-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)N3CCCCC3)CCC[C@@H]12 ZINC001107646111 1256371102 /nfs/dbraw/zinc/37/11/02/1256371102.db2.gz CNOCXVRVKJROHR-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cs1 ZINC000996966772 1256582613 /nfs/dbraw/zinc/58/26/13/1256582613.db2.gz UDYXXRNQHRWMCE-QGZVFWFLSA-N 1 3 337.533 2.723 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1F ZINC000996967037 1256584083 /nfs/dbraw/zinc/58/40/83/1256584083.db2.gz ZZLUHYZQXYCHQW-LJQANCHMSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000996993366 1256636318 /nfs/dbraw/zinc/63/63/18/1256636318.db2.gz DBERQPGKSFYPTJ-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996996139 1256636698 /nfs/dbraw/zinc/63/66/98/1256636698.db2.gz VASWBZJTPUWICX-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000996995873 1256646265 /nfs/dbraw/zinc/64/62/65/1256646265.db2.gz SNWPLQSIUFYWDU-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000996997673 1256649775 /nfs/dbraw/zinc/64/97/75/1256649775.db2.gz FNOACXMCUMWSQF-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1cccc(F)c1 ZINC000996998512 1256652610 /nfs/dbraw/zinc/65/26/10/1256652610.db2.gz KFNSGRPEKBFAEZ-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1cccc(F)c1 ZINC000996998509 1256652847 /nfs/dbraw/zinc/65/28/47/1256652847.db2.gz KFNSGRPEKBFAEZ-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c(C)s1 ZINC000996998927 1256653907 /nfs/dbraw/zinc/65/39/07/1256653907.db2.gz KUWFVLSSJPTAJO-CQSZACIVSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)C1 ZINC000996996881 1256662897 /nfs/dbraw/zinc/66/28/97/1256662897.db2.gz AJJYJMAYZOFCQC-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)C1 ZINC000997004474 1256665396 /nfs/dbraw/zinc/66/53/96/1256665396.db2.gz DHDSSHOVWILNSX-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000997005180 1256666350 /nfs/dbraw/zinc/66/63/50/1256666350.db2.gz HLYNGWSNDFDNQV-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)C1 ZINC000997006213 1256668458 /nfs/dbraw/zinc/66/84/58/1256668458.db2.gz KHGZRDKZSPLVPM-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000997007264 1256671553 /nfs/dbraw/zinc/67/15/53/1256671553.db2.gz PHIODCDWLRNNSL-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000997007953 1256672377 /nfs/dbraw/zinc/67/23/77/1256672377.db2.gz SEIRSZAVPNSDFJ-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1F ZINC000997008575 1256674430 /nfs/dbraw/zinc/67/44/30/1256674430.db2.gz VPNJXQJDZSEEER-OAHLLOKOSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]CC2CCC(C)CC2)CC1 ZINC000997003264 1256676099 /nfs/dbraw/zinc/67/60/99/1256676099.db2.gz ZEBUIXHXLFFWMN-LXPRWKDFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000997014617 1256688306 /nfs/dbraw/zinc/68/83/06/1256688306.db2.gz IORVBYOFHCEZCE-MOPGFXCFSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC000997015050 1256689668 /nfs/dbraw/zinc/68/96/68/1256689668.db2.gz MSWBZIWOCRZQHW-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000997016324 1256691052 /nfs/dbraw/zinc/69/10/52/1256691052.db2.gz UTXCLYQFPPKHDC-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997037125 1256721396 /nfs/dbraw/zinc/72/13/96/1256721396.db2.gz UEKOMNMXQWJQCW-HZPDHXFCSA-N 1 3 332.492 2.749 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)c(F)c1 ZINC000997038085 1256722827 /nfs/dbraw/zinc/72/28/27/1256722827.db2.gz ZKFSEAOHZVLXSF-LBPRGKRZSA-N 1 3 348.397 2.572 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997070926 1256791960 /nfs/dbraw/zinc/79/19/60/1256791960.db2.gz DNKMUZJHSXPGDD-CTHFIRIDSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997070926 1256791965 /nfs/dbraw/zinc/79/19/65/1256791965.db2.gz DNKMUZJHSXPGDD-CTHFIRIDSA-N 1 3 341.927 2.828 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3cccc(F)c3)CC2)CC1 ZINC000997115564 1256954869 /nfs/dbraw/zinc/95/48/69/1256954869.db2.gz NUDNYCCWPYJLPW-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405697 1257125167 /nfs/dbraw/zinc/12/51/67/1257125167.db2.gz PCSUYYOOQLVYPU-WDSOQIARSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405697 1257125170 /nfs/dbraw/zinc/12/51/70/1257125170.db2.gz PCSUYYOOQLVYPU-WDSOQIARSA-N 1 3 333.520 2.582 20 0 EFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1=CCCCC1 ZINC001032407736 1257132347 /nfs/dbraw/zinc/13/23/47/1257132347.db2.gz MOTKUKVWZMAJSG-SLFFLAALSA-N 1 3 343.515 2.504 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)CC[N@@H+]1C ZINC001032411185 1257153784 /nfs/dbraw/zinc/15/37/84/1257153784.db2.gz HOJJWVMOLGSHTE-BTHPGYMESA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)CC[N@H+]1C ZINC001032411185 1257153788 /nfs/dbraw/zinc/15/37/88/1257153788.db2.gz HOJJWVMOLGSHTE-BTHPGYMESA-N 1 3 347.547 2.972 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000997303141 1257382983 /nfs/dbraw/zinc/38/29/83/1257382983.db2.gz PNGUCRTUFHKRRH-UHFFFAOYSA-N 1 3 341.499 2.740 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000997308078 1257385378 /nfs/dbraw/zinc/38/53/78/1257385378.db2.gz ZJXPVXSJINEHNL-LJQANCHMSA-N 1 3 329.488 2.814 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000997307811 1257385527 /nfs/dbraw/zinc/38/55/27/1257385527.db2.gz WEEDCECTLDUEQL-UHFFFAOYSA-N 1 3 335.879 2.516 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000997306238 1257385862 /nfs/dbraw/zinc/38/58/62/1257385862.db2.gz ATZYENODMFCNBT-IBGZPJMESA-N 1 3 347.478 2.953 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000997307832 1257385908 /nfs/dbraw/zinc/38/59/08/1257385908.db2.gz WZQTVQLJJWAVHL-UHFFFAOYSA-N 1 3 341.455 2.609 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000997306240 1257385954 /nfs/dbraw/zinc/38/59/54/1257385954.db2.gz ATZYENODMFCNBT-LJQANCHMSA-N 1 3 347.478 2.953 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997307069 1257386071 /nfs/dbraw/zinc/38/60/71/1257386071.db2.gz NDNIRRFQFABMIA-UHFFFAOYSA-N 1 3 349.906 2.825 20 0 EFADHO CC1CC(C[NH2+]C2CCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC000997357344 1257443268 /nfs/dbraw/zinc/44/32/68/1257443268.db2.gz STOSXJFZSXWJNW-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000997366821 1257456341 /nfs/dbraw/zinc/45/63/41/1257456341.db2.gz MRSUVBMSGNRQAO-KRWDZBQOSA-N 1 3 335.517 2.703 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)C1CC1 ZINC001032445597 1257481631 /nfs/dbraw/zinc/48/16/31/1257481631.db2.gz LWMLFYWWFQTLLO-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1)C1CC1 ZINC001032445597 1257481636 /nfs/dbraw/zinc/48/16/36/1257481636.db2.gz LWMLFYWWFQTLLO-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032442902 1257490992 /nfs/dbraw/zinc/49/09/92/1257490992.db2.gz IHMJRTCKPFTGKE-UFYCRDLUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032442902 1257490997 /nfs/dbraw/zinc/49/09/97/1257490997.db2.gz IHMJRTCKPFTGKE-UFYCRDLUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1)[NH+](C)C ZINC001032460427 1257534797 /nfs/dbraw/zinc/53/47/97/1257534797.db2.gz MILKIEIVKYMBJN-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040430284 1257691097 /nfs/dbraw/zinc/69/10/97/1257691097.db2.gz AAFVTIXUIIJEQC-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001040430284 1257691104 /nfs/dbraw/zinc/69/11/04/1257691104.db2.gz AAFVTIXUIIJEQC-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001649049090 1257986119 /nfs/dbraw/zinc/98/61/19/1257986119.db2.gz MNDNWMVEENDCPK-MTQWCTHYSA-N 1 3 341.499 2.640 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997605317 1258101374 /nfs/dbraw/zinc/10/13/74/1258101374.db2.gz GEWQLQRUHOKJFW-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000997605760 1258103156 /nfs/dbraw/zinc/10/31/56/1258103156.db2.gz HREFLSTWNNSCOG-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000997606389 1258103399 /nfs/dbraw/zinc/10/33/99/1258103399.db2.gz KJTGPXRVRVEXTM-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997607762 1258104262 /nfs/dbraw/zinc/10/42/62/1258104262.db2.gz QPKJSKWAQDUHHQ-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC000997612564 1258110746 /nfs/dbraw/zinc/11/07/46/1258110746.db2.gz IXWGAKNBHRNDTB-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000997612925 1258112270 /nfs/dbraw/zinc/11/22/70/1258112270.db2.gz MHHBFHWCDYTHFU-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1 ZINC000997613567 1258115986 /nfs/dbraw/zinc/11/59/86/1258115986.db2.gz KMMZXOKWUYBDSX-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001203459714 1258130082 /nfs/dbraw/zinc/13/00/82/1258130082.db2.gz IJMLUZIAGMFABI-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997659400 1258188189 /nfs/dbraw/zinc/18/81/89/1258188189.db2.gz HKPKXOCSQRZYCA-RDJZCZTQSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997729672 1258318874 /nfs/dbraw/zinc/31/88/74/1258318874.db2.gz QGYPTKGCYIOXGD-UOVPBQLFSA-N 1 3 341.515 2.682 20 0 EFADHO CC[C@@H](F)CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997729672 1258318884 /nfs/dbraw/zinc/31/88/84/1258318884.db2.gz QGYPTKGCYIOXGD-UOVPBQLFSA-N 1 3 341.515 2.682 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001168596446 1258388889 /nfs/dbraw/zinc/38/88/89/1258388889.db2.gz WGOUSHYQYYMABM-SFHVURJKSA-N 1 3 341.540 2.554 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC000997824628 1258496676 /nfs/dbraw/zinc/49/66/76/1258496676.db2.gz UUXGJZQMRCWITC-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1)C1CCC1 ZINC000997830340 1258504074 /nfs/dbraw/zinc/50/40/74/1258504074.db2.gz IIBVCAJARLFBIY-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC000997831134 1258508946 /nfs/dbraw/zinc/50/89/46/1258508946.db2.gz RMBQATBEHLGPFA-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001168607182 1258597433 /nfs/dbraw/zinc/59/74/33/1258597433.db2.gz RHXVFENOIZSMMD-UHFFFAOYSA-N 1 3 333.467 2.640 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464129 1258725749 /nfs/dbraw/zinc/72/57/49/1258725749.db2.gz LHFOFPHSTIMEFW-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464129 1258725755 /nfs/dbraw/zinc/72/57/55/1258725755.db2.gz LHFOFPHSTIMEFW-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032581437 1258764347 /nfs/dbraw/zinc/76/43/47/1258764347.db2.gz SJUPSBRUSYOKGX-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)C1 ZINC001032581437 1258764352 /nfs/dbraw/zinc/76/43/52/1258764352.db2.gz SJUPSBRUSYOKGX-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001004203236 1266213992 /nfs/dbraw/zinc/21/39/92/1266213992.db2.gz JSQCQBYKAQTURM-IRXDYDNUSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001004203235 1266213834 /nfs/dbraw/zinc/21/38/34/1266213834.db2.gz JSQCQBYKAQTURM-IAGOWNOFSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004205009 1266218204 /nfs/dbraw/zinc/21/82/04/1266218204.db2.gz XQZBSNYAQQGJAQ-HNNXBMFYSA-N 1 3 335.467 2.691 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000998013188 1258954081 /nfs/dbraw/zinc/95/40/81/1258954081.db2.gz PZMNKGWOLGBXHO-RFAFAIBMSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000998013188 1258954085 /nfs/dbraw/zinc/95/40/85/1258954085.db2.gz PZMNKGWOLGBXHO-RFAFAIBMSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000998013187 1258954185 /nfs/dbraw/zinc/95/41/85/1258954185.db2.gz PZMNKGWOLGBXHO-BRQWJCJVSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000998013187 1258954190 /nfs/dbraw/zinc/95/41/90/1258954190.db2.gz PZMNKGWOLGBXHO-BRQWJCJVSA-N 1 3 341.927 2.782 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000998039559 1259008205 /nfs/dbraw/zinc/00/82/05/1259008205.db2.gz CHNPZJCVKNHBIL-HXUWFJFHSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC000998047517 1259023283 /nfs/dbraw/zinc/02/32/83/1259023283.db2.gz PNCGAALTAYHZBM-LJQANCHMSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2C)CC1)N(C)C ZINC000998086777 1259084273 /nfs/dbraw/zinc/08/42/73/1259084273.db2.gz SVIQZLLKGUTEOS-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC000998082407 1259086245 /nfs/dbraw/zinc/08/62/45/1259086245.db2.gz OXPLHDSTYGZVSR-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001004207117 1266234651 /nfs/dbraw/zinc/23/46/51/1266234651.db2.gz OOBPSEREPKEOSA-HUUCEWRRSA-N 1 3 335.517 2.702 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000998118220 1259128389 /nfs/dbraw/zinc/12/83/89/1259128389.db2.gz FCRHVKIKTNRXKK-MRXNPFEDSA-N 1 3 340.471 2.850 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000998176670 1259195525 /nfs/dbraw/zinc/19/55/25/1259195525.db2.gz MLJJSUQGXBXRKD-VCELZJIISA-N 1 3 339.911 2.538 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]Cc3ccsc3)CC2)CC1 ZINC000998176417 1259195972 /nfs/dbraw/zinc/19/59/72/1259195972.db2.gz WSHPBEHMNUXABO-UHFFFAOYSA-N 1 3 349.544 2.808 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177329 1259197111 /nfs/dbraw/zinc/19/71/11/1259197111.db2.gz STAUNGWWHZGHBM-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C(F)(F)F ZINC000998263883 1259337529 /nfs/dbraw/zinc/33/75/29/1259337529.db2.gz YKAGOTGCDIHGGF-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1cccc(F)c1 ZINC000998269280 1259349169 /nfs/dbraw/zinc/34/91/69/1259349169.db2.gz LTMCLWOXGWYMDV-INIZCTEOSA-N 1 3 347.478 2.811 20 0 EFADHO CC1CCC(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000998270590 1259351296 /nfs/dbraw/zinc/35/12/96/1259351296.db2.gz VOYVESPAWCBDHR-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000998270651 1259352237 /nfs/dbraw/zinc/35/22/37/1259352237.db2.gz WZWYHTVBMCETET-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032627923 1259431352 /nfs/dbraw/zinc/43/13/52/1259431352.db2.gz MSTOAHWNFDOQEV-NEWSRXKRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032627923 1259431354 /nfs/dbraw/zinc/43/13/54/1259431354.db2.gz MSTOAHWNFDOQEV-NEWSRXKRSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032630099 1259446457 /nfs/dbraw/zinc/44/64/57/1259446457.db2.gz XDZXZKSSMOGSOE-VDGAXYAQSA-N 1 3 343.515 2.736 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000998547828 1259671158 /nfs/dbraw/zinc/67/11/58/1259671158.db2.gz AVXMUFSTBAKRNT-SOAGJPPSSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@@H]1C[NH2+]CC1CCC1 ZINC001036578616 1259730917 /nfs/dbraw/zinc/73/09/17/1259730917.db2.gz ZOCAWTCWDFDZEA-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCC1 ZINC001036578615 1259731185 /nfs/dbraw/zinc/73/11/85/1259731185.db2.gz ZOCAWTCWDFDZEA-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036580013 1259732831 /nfs/dbraw/zinc/73/28/31/1259732831.db2.gz WEKABABDLGCESQ-WMLDXEAASA-N 1 3 332.492 2.605 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001036580272 1259732913 /nfs/dbraw/zinc/73/29/13/1259732913.db2.gz ZIFCSESKBGJUAR-LPHOPBHVSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001036580152 1259733510 /nfs/dbraw/zinc/73/35/10/1259733510.db2.gz XYQFWHIDKCIOLL-MAUKXSAKSA-N 1 3 344.503 2.749 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001036580096 1259733535 /nfs/dbraw/zinc/73/35/35/1259733535.db2.gz XEFRWTVCBQJZQG-LPHOPBHVSA-N 1 3 340.471 2.678 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998725691 1259877814 /nfs/dbraw/zinc/87/78/14/1259877814.db2.gz XADUPFLEWCIZNJ-SJLPKXTDSA-N 1 3 341.455 2.608 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccccc3F)C2)CC[N@@H+]1C ZINC000998794904 1259951255 /nfs/dbraw/zinc/95/12/55/1259951255.db2.gz SEWFYXNUTULZRV-BXNZUYAZSA-N 1 3 347.478 2.635 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CC(NCc3ccccc3F)C2)CC[N@H+]1C ZINC000998794904 1259951258 /nfs/dbraw/zinc/95/12/58/1259951258.db2.gz SEWFYXNUTULZRV-BXNZUYAZSA-N 1 3 347.478 2.635 20 0 EFADHO CN(C(=O)[C@@H]1CCCCN1C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000998993517 1260137316 /nfs/dbraw/zinc/13/73/16/1260137316.db2.gz FPOZNLVHHUDECK-HTWSVDAQSA-N 1 3 349.906 2.903 20 0 EFADHO CC1CC(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000999150870 1260257914 /nfs/dbraw/zinc/25/79/14/1260257914.db2.gz DMWOYHULZWJVME-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000999132545 1260259939 /nfs/dbraw/zinc/25/99/39/1260259939.db2.gz GLFFXBIWFFNSDD-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCCCC1 ZINC001032665003 1260359171 /nfs/dbraw/zinc/35/91/71/1260359171.db2.gz VIIVFWWZBMCZKM-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC000999210751 1260364686 /nfs/dbraw/zinc/36/46/86/1260364686.db2.gz VDSSZIFJZIGCEK-ZIFCJYIRSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC000999210751 1260364695 /nfs/dbraw/zinc/36/46/95/1260364695.db2.gz VDSSZIFJZIGCEK-ZIFCJYIRSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348270 1260552567 /nfs/dbraw/zinc/55/25/67/1260552567.db2.gz NCRJLGFHHBQUMI-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999349720 1260553984 /nfs/dbraw/zinc/55/39/84/1260553984.db2.gz UHEDHSOKXJPURJ-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000999351602 1260555289 /nfs/dbraw/zinc/55/52/89/1260555289.db2.gz DYXUSRJEMGQCRF-WMZOPIPTSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC000999352555 1260555674 /nfs/dbraw/zinc/55/56/74/1260555674.db2.gz JQQIMHFYEVSYCM-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC000999376610 1260560203 /nfs/dbraw/zinc/56/02/03/1260560203.db2.gz NESGDNRRTRWMHG-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000999380145 1260562041 /nfs/dbraw/zinc/56/20/41/1260562041.db2.gz SOPKSJLJNMKGPP-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CC1 ZINC000999362651 1260563985 /nfs/dbraw/zinc/56/39/85/1260563985.db2.gz BIECPGDEMRCVHV-MOPGFXCFSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999363508 1260565506 /nfs/dbraw/zinc/56/55/06/1260565506.db2.gz HVSIZXMQYFTLOO-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000999365658 1260568211 /nfs/dbraw/zinc/56/82/11/1260568211.db2.gz QRTDXILDVAVGMI-QGZVFWFLSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999398820 1260578006 /nfs/dbraw/zinc/57/80/06/1260578006.db2.gz AMWAUNFLFNCEKV-KKXNLOMOSA-N 1 3 343.515 2.867 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CCC2CC2)C1 ZINC000999401461 1260595164 /nfs/dbraw/zinc/59/51/64/1260595164.db2.gz ODTFJFLVAPPHET-LADRWXRNSA-N 1 3 339.499 2.578 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC000999404463 1260597713 /nfs/dbraw/zinc/59/77/13/1260597713.db2.gz WWCQZKDIDFOTNS-DZIBYMRMSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000999403549 1260597877 /nfs/dbraw/zinc/59/78/77/1260597877.db2.gz QVWMRSPMTYYDCV-MNNVXMFVSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000999408586 1260601627 /nfs/dbraw/zinc/60/16/27/1260601627.db2.gz LUJMLSBLAGVXIU-DZIBYMRMSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999435870 1260625103 /nfs/dbraw/zinc/62/51/03/1260625103.db2.gz SVVKMMSYXIAWFQ-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1)N(C)C ZINC000999488474 1260711320 /nfs/dbraw/zinc/71/13/20/1260711320.db2.gz FMWJPUXTVJJHGD-WOJBJXKFSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000999489341 1260712205 /nfs/dbraw/zinc/71/22/05/1260712205.db2.gz KVCVZTLYNKRIDE-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1)N(C)C ZINC000999490048 1260713239 /nfs/dbraw/zinc/71/32/39/1260713239.db2.gz NXTYJVLLESLPLR-PKOBYXMFSA-N 1 3 342.487 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC000999491847 1260713973 /nfs/dbraw/zinc/71/39/73/1260713973.db2.gz XMMSGFQHEIMDDG-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC000999601703 1260764044 /nfs/dbraw/zinc/76/40/44/1260764044.db2.gz MKLRDPOEYFEQTL-UHFFFAOYSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000999834750 1260947330 /nfs/dbraw/zinc/94/73/30/1260947330.db2.gz VRBKCRUNIHZFRX-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1 ZINC000999876126 1260965063 /nfs/dbraw/zinc/96/50/63/1260965063.db2.gz GSUFUMMMHDUCCR-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000999877022 1260965734 /nfs/dbraw/zinc/96/57/34/1260965734.db2.gz XMTAQINSRIJEQT-ACBHZAAOSA-N 1 3 347.478 2.779 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000999877034 1260966209 /nfs/dbraw/zinc/96/62/09/1260966209.db2.gz XRQOWCYXAXGRHT-ACBHZAAOSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033071260 1266380113 /nfs/dbraw/zinc/38/01/13/1266380113.db2.gz YJMAWPHITMTUMN-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033071260 1266380126 /nfs/dbraw/zinc/38/01/26/1266380126.db2.gz YJMAWPHITMTUMN-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032727063 1261081923 /nfs/dbraw/zinc/08/19/23/1261081923.db2.gz WLVUGXMXIVCCNZ-FHWLQOOXSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032727063 1261081930 /nfs/dbraw/zinc/08/19/30/1261081930.db2.gz WLVUGXMXIVCCNZ-FHWLQOOXSA-N 1 3 335.536 2.972 20 0 EFADHO COc1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644351 1261179980 /nfs/dbraw/zinc/17/99/80/1261179980.db2.gz QUOKAQBUDXHCOZ-LXZJYRNTSA-N 1 3 330.472 2.799 20 0 EFADHO COc1ccc([C@@H]2C[C@@H]([N@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644351 1261179982 /nfs/dbraw/zinc/17/99/82/1261179982.db2.gz QUOKAQBUDXHCOZ-LXZJYRNTSA-N 1 3 330.472 2.799 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001000225513 1261255667 /nfs/dbraw/zinc/25/56/67/1261255667.db2.gz KVCVZTLYNKRIDE-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H](C[NH2+]CC2CC2)C2CC2)c1 ZINC001485836656 1261292134 /nfs/dbraw/zinc/29/21/34/1261292134.db2.gz FVIMVLUJFSLTDB-LJQANCHMSA-N 1 3 329.488 2.598 20 0 EFADHO COc1ccc([C@@H]2C[C@@H]([NH+]3CCC4(CN(C)C4)CC3)CCO2)cc1 ZINC001168665688 1261376131 /nfs/dbraw/zinc/37/61/31/1261376131.db2.gz SNYXXDAFKTXIBA-HKUYNNGSSA-N 1 3 330.472 2.943 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1cc(Cl)ccc1Cl ZINC000923296523 1261421195 /nfs/dbraw/zinc/42/11/95/1261421195.db2.gz USXBUVZZJWNSNM-SWLSCSKDSA-N 1 3 335.275 2.696 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000923330769 1261468566 /nfs/dbraw/zinc/46/85/66/1261468566.db2.gz IKVIAZRNCROCRH-JFIYKMOQSA-N 1 3 334.504 2.701 20 0 EFADHO CCc1cnc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000923323957 1261476026 /nfs/dbraw/zinc/47/60/26/1261476026.db2.gz YMSPPBQNUILJSQ-MQVJKMGUSA-N 1 3 334.533 2.748 20 0 EFADHO Clc1ccc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC000923324403 1261477187 /nfs/dbraw/zinc/47/71/87/1261477187.db2.gz GWYLTTIFDBZKEX-ZNXRZULTSA-N 1 3 348.922 2.773 20 0 EFADHO O[C@H](CN1CC[C@@]2(CC[NH2+]C2)C1)Cn1c2ccccc2c2ccccc21 ZINC000923331703 1261508293 /nfs/dbraw/zinc/50/82/93/1261508293.db2.gz HVABUAFMTJQAQF-VGOFRKELSA-N 1 3 349.478 2.841 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001006060341 1261536015 /nfs/dbraw/zinc/53/60/15/1261536015.db2.gz NPYLXMSVSYDKOF-UHFFFAOYSA-N 1 3 330.476 2.766 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033074182 1266417393 /nfs/dbraw/zinc/41/73/93/1266417393.db2.gz XNHRRQFDJNDORF-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033074182 1266417400 /nfs/dbraw/zinc/41/74/00/1266417400.db2.gz XNHRRQFDJNDORF-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033074182 1266417410 /nfs/dbraw/zinc/41/74/10/1266417410.db2.gz XNHRRQFDJNDORF-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033074182 1266417415 /nfs/dbraw/zinc/41/74/15/1266417415.db2.gz XNHRRQFDJNDORF-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)C1CCCCC1 ZINC000923373887 1261574306 /nfs/dbraw/zinc/57/43/06/1261574306.db2.gz PULBNMPRLCLENE-WBVHZDCISA-N 1 3 326.868 2.577 20 0 EFADHO C[C@@H]1CCCN(C[C@H](O)COc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000923385796 1261593992 /nfs/dbraw/zinc/59/39/92/1261593992.db2.gz CXZIQDDSASKSNE-IJEWVQPXSA-N 1 3 326.868 2.529 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923393342 1261598584 /nfs/dbraw/zinc/59/85/84/1261598584.db2.gz OWFKCDYTUPKAHM-IKGGRYGDSA-N 1 3 337.467 2.967 20 0 EFADHO CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902435 1261662739 /nfs/dbraw/zinc/66/27/39/1261662739.db2.gz PKTKIQPTEAVGKU-CALCHBBNSA-N 1 3 329.488 2.552 20 0 EFADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)CC[C@@H]2C1 ZINC000946902435 1261662749 /nfs/dbraw/zinc/66/27/49/1261662749.db2.gz PKTKIQPTEAVGKU-CALCHBBNSA-N 1 3 329.488 2.552 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1 ZINC000946902781 1261693152 /nfs/dbraw/zinc/69/31/52/1261693152.db2.gz YVDIFOXTBLWMOL-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1 ZINC000946902781 1261693159 /nfs/dbraw/zinc/69/31/59/1261693159.db2.gz YVDIFOXTBLWMOL-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H](CC[NH3+])C1)c1cc2ccccc2o1 ZINC000923486672 1261742464 /nfs/dbraw/zinc/74/24/64/1261742464.db2.gz SLFKLBOLFWPVOU-KKUMJFAQSA-N 1 3 329.444 2.669 20 0 EFADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923485094 1261757851 /nfs/dbraw/zinc/75/78/51/1261757851.db2.gz FKYOIHHNFAQXAS-CABCVRRESA-N 1 3 329.444 2.623 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923489153 1261767006 /nfs/dbraw/zinc/76/70/06/1261767006.db2.gz CJUDUHACLSQTFA-DLBZAZTESA-N 1 3 344.503 2.675 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000923489561 1261768457 /nfs/dbraw/zinc/76/84/57/1261768457.db2.gz YUMXGXVQPDDYMJ-IBGZPJMESA-N 1 3 337.467 2.891 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000923490071 1261770361 /nfs/dbraw/zinc/77/03/61/1261770361.db2.gz RFFPYSGZZKWAEY-RYUDHWBXSA-N 1 3 344.286 2.841 20 0 EFADHO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923493076 1261777769 /nfs/dbraw/zinc/77/77/69/1261777769.db2.gz SGXFYPTTWCQTAQ-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1CC[C@H](CC[NH3+])C1 ZINC000923494269 1261779636 /nfs/dbraw/zinc/77/96/36/1261779636.db2.gz VIRXNBOUVWFZJA-LBPRGKRZSA-N 1 3 344.286 2.623 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1)[NH+]1CCCC1 ZINC001032804092 1261824511 /nfs/dbraw/zinc/82/45/11/1261824511.db2.gz WSXRJMIYJBDSQK-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+]1CCCCC1 ZINC001032803804 1261847781 /nfs/dbraw/zinc/84/77/81/1261847781.db2.gz MBORZKJXJVVRCR-FHWLQOOXSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078627434 1262076167 /nfs/dbraw/zinc/07/61/67/1262076167.db2.gz YWHUGHKEXQTQTF-DLBZAZTESA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccsc1C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272933523 1262297604 /nfs/dbraw/zinc/29/76/04/1262297604.db2.gz BZMTUGOMQYLQST-IBGZPJMESA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccsc1C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001272933523 1262297609 /nfs/dbraw/zinc/29/76/09/1262297609.db2.gz BZMTUGOMQYLQST-IBGZPJMESA-N 1 3 349.544 2.823 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001078796375 1262328911 /nfs/dbraw/zinc/32/89/11/1262328911.db2.gz ZGOZUIUPZBQJDV-MSOLQXFVSA-N 1 3 344.503 2.858 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C23CCC3)c1 ZINC001078819213 1262362260 /nfs/dbraw/zinc/36/22/60/1262362260.db2.gz KCEPPJNSHWRCPG-MOPGFXCFSA-N 1 3 341.499 2.789 20 0 EFADHO CCC[NH2+][C@@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818901 1262391470 /nfs/dbraw/zinc/39/14/70/1262391470.db2.gz FGKMDNKFUBAJQJ-MSOLQXFVSA-N 1 3 329.488 2.789 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001485881981 1262464693 /nfs/dbraw/zinc/46/46/93/1262464693.db2.gz MVNLXWLAFZSIIT-HNNXBMFYSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001485919844 1262499661 /nfs/dbraw/zinc/49/96/61/1262499661.db2.gz NAKNYCBWGVYHDG-OWQTYREESA-N 1 3 331.504 2.723 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@H]1C ZINC001486090664 1262613195 /nfs/dbraw/zinc/61/31/95/1262613195.db2.gz BTVPCDLJPURUGZ-QAPCUYQASA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C[C@@H]1C ZINC001486129429 1262662469 /nfs/dbraw/zinc/66/24/69/1262662469.db2.gz NMXAJXHBKXQUBE-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[C@H]1C ZINC001486127554 1262704626 /nfs/dbraw/zinc/70/46/26/1262704626.db2.gz FVEZUKKGJZRXFI-PBHICJAKSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001486183936 1262762820 /nfs/dbraw/zinc/76/28/20/1262762820.db2.gz OJUYWCMPKMRQAO-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001486183936 1262762829 /nfs/dbraw/zinc/76/28/29/1262762829.db2.gz OJUYWCMPKMRQAO-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001486183934 1262763181 /nfs/dbraw/zinc/76/31/81/1262763181.db2.gz OJUYWCMPKMRQAO-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001486183934 1262763187 /nfs/dbraw/zinc/76/31/87/1262763187.db2.gz OJUYWCMPKMRQAO-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO COc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000921858345 1262901425 /nfs/dbraw/zinc/90/14/25/1262901425.db2.gz DZCWRCBXZGLJSS-VQTJNVASSA-N 1 3 332.488 2.861 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)N(C)C ZINC001486411927 1263034267 /nfs/dbraw/zinc/03/42/67/1263034267.db2.gz VNPAPFRXVAOGAN-HUUCEWRRSA-N 1 3 347.494 2.738 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001082449651 1263172086 /nfs/dbraw/zinc/17/20/86/1263172086.db2.gz COBCCFOSIZMDBO-ZTFGCOKTSA-N 1 3 349.906 2.679 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082507611 1263202352 /nfs/dbraw/zinc/20/23/52/1263202352.db2.gz XWSAWQYBCNDABK-QRQLOZEOSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082559601 1263221245 /nfs/dbraw/zinc/22/12/45/1263221245.db2.gz KDDAEYAGRYYUHX-LZQZEXGQSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1C ZINC001082560094 1263222153 /nfs/dbraw/zinc/22/21/53/1263222153.db2.gz ZKFHULCMSWFUDP-AHRSYUTCSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c(C)c1 ZINC001082559709 1263222207 /nfs/dbraw/zinc/22/22/07/1263222207.db2.gz NAGIFYLSAYJOOX-NSISKUIASA-N 1 3 343.515 2.580 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001082575180 1263228757 /nfs/dbraw/zinc/22/87/57/1263228757.db2.gz PKWUHORVDAFHOB-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001082575141 1263228969 /nfs/dbraw/zinc/22/89/69/1263228969.db2.gz NIWDFJVMMXXQMH-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001082748403 1263295082 /nfs/dbraw/zinc/29/50/82/1263295082.db2.gz KGUNZKJAZUHKER-LZQZEXGQSA-N 1 3 331.504 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1C ZINC001082724942 1263302662 /nfs/dbraw/zinc/30/26/62/1263302662.db2.gz YJCBHYIEEQXSPU-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082740933 1263312567 /nfs/dbraw/zinc/31/25/67/1263312567.db2.gz KUDQDVRQBVWOOB-MBOZVWFJSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082741125 1263312736 /nfs/dbraw/zinc/31/27/36/1263312736.db2.gz QCUZSQNPYNPRTE-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccccc3Cl)C2)C1 ZINC001082742805 1263316340 /nfs/dbraw/zinc/31/63/40/1263316340.db2.gz SLRCUUGURGANRC-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](NCc3ccccc3Cl)C2)C1 ZINC001082742805 1263316351 /nfs/dbraw/zinc/31/63/51/1263316351.db2.gz SLRCUUGURGANRC-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082783167 1263340465 /nfs/dbraw/zinc/34/04/65/1263340465.db2.gz FQNJWRMUNTWNQD-BHIYHBOVSA-N 1 3 335.536 2.876 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001082942036 1263425037 /nfs/dbraw/zinc/42/50/37/1263425037.db2.gz ZYHBKZVWFQLNHN-ATZDWAIDSA-N 1 3 347.478 2.637 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338334 1263829327 /nfs/dbraw/zinc/82/93/27/1263829327.db2.gz ODDXRVQOHNIKKG-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338334 1263829340 /nfs/dbraw/zinc/82/93/40/1263829340.db2.gz ODDXRVQOHNIKKG-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084340050 1263838042 /nfs/dbraw/zinc/83/80/42/1263838042.db2.gz RRSUMJVANJYABR-HSALFYBXSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084340050 1263838057 /nfs/dbraw/zinc/83/80/57/1263838057.db2.gz RRSUMJVANJYABR-HSALFYBXSA-N 1 3 345.531 2.892 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344825 1263840165 /nfs/dbraw/zinc/84/01/65/1263840165.db2.gz IOEWSQFAOVABCI-KZNAEPCWSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344825 1263840171 /nfs/dbraw/zinc/84/01/71/1263840171.db2.gz IOEWSQFAOVABCI-KZNAEPCWSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001084429231 1263902273 /nfs/dbraw/zinc/90/22/73/1263902273.db2.gz UOXXOJVJVFFCBY-AQNXPRMDSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001084429231 1263902277 /nfs/dbraw/zinc/90/22/77/1263902277.db2.gz UOXXOJVJVFFCBY-AQNXPRMDSA-N 1 3 347.547 2.996 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001084389019 1263904397 /nfs/dbraw/zinc/90/43/97/1263904397.db2.gz OPYVNEVOXGJQIE-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(CC)CC)C[C@H]21 ZINC001084389019 1263904404 /nfs/dbraw/zinc/90/44/04/1263904404.db2.gz OPYVNEVOXGJQIE-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084389047 1263904870 /nfs/dbraw/zinc/90/48/70/1263904870.db2.gz PXOIRNFWPCQUIQ-FGTMMUONSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084389047 1263904873 /nfs/dbraw/zinc/90/48/73/1263904873.db2.gz PXOIRNFWPCQUIQ-FGTMMUONSA-N 1 3 335.536 2.830 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(C)c1 ZINC000921978980 1263975519 /nfs/dbraw/zinc/97/55/19/1263975519.db2.gz AIPFIJXJTJGFNS-FQEVSTJZSA-N 1 3 340.467 2.860 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000921978980 1263975525 /nfs/dbraw/zinc/97/55/25/1263975525.db2.gz AIPFIJXJTJGFNS-FQEVSTJZSA-N 1 3 340.467 2.860 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001016330066 1264033610 /nfs/dbraw/zinc/03/36/10/1264033610.db2.gz PNLODCLNAPNERK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001016330066 1264033617 /nfs/dbraw/zinc/03/36/17/1264033617.db2.gz PNLODCLNAPNERK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21)N1CCCC1 ZINC001084571765 1264034983 /nfs/dbraw/zinc/03/49/83/1264034983.db2.gz DBIOPOWBOQYBLD-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21)N1CCCC1 ZINC001084571765 1264034992 /nfs/dbraw/zinc/03/49/92/1264034992.db2.gz DBIOPOWBOQYBLD-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001002955340 1264353983 /nfs/dbraw/zinc/35/39/83/1264353983.db2.gz KWEXFJJQQVWAQN-IBGZPJMESA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849505 1264535303 /nfs/dbraw/zinc/53/53/03/1264535303.db2.gz GBWBPWYMXRXJAX-PWIZWCRZSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849505 1264535309 /nfs/dbraw/zinc/53/53/09/1264535309.db2.gz GBWBPWYMXRXJAX-PWIZWCRZSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853521 1264540076 /nfs/dbraw/zinc/54/00/76/1264540076.db2.gz XDSYHZWWTOSONE-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)N3CCCCC3)[C@@H]2C1 ZINC001084853521 1264540083 /nfs/dbraw/zinc/54/00/83/1264540083.db2.gz XDSYHZWWTOSONE-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938718 1264712105 /nfs/dbraw/zinc/71/21/05/1264712105.db2.gz CFSZEZIDXMOXBS-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938718 1264712110 /nfs/dbraw/zinc/71/21/10/1264712110.db2.gz CFSZEZIDXMOXBS-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084953489 1264755597 /nfs/dbraw/zinc/75/55/97/1264755597.db2.gz PZJGVGSTDKGHRE-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084953489 1264755603 /nfs/dbraw/zinc/75/56/03/1264755603.db2.gz PZJGVGSTDKGHRE-AABGKKOBSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001084953599 1264755666 /nfs/dbraw/zinc/75/56/66/1264755666.db2.gz XJSAVJTWWCQWDC-QYZOEREBSA-N 1 3 333.520 2.750 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001084953599 1264755675 /nfs/dbraw/zinc/75/56/75/1264755675.db2.gz XJSAVJTWWCQWDC-QYZOEREBSA-N 1 3 333.520 2.750 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[N@@H+](C/C=C/Cl)[C@H]2C1 ZINC001084981770 1264822073 /nfs/dbraw/zinc/82/20/73/1264822073.db2.gz CRAIHRIWYWRAGO-TWAHKEOZSA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[N@H+](C/C=C/Cl)[C@H]2C1 ZINC001084981770 1264822089 /nfs/dbraw/zinc/82/20/89/1264822089.db2.gz CRAIHRIWYWRAGO-TWAHKEOZSA-N 1 3 344.846 2.623 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC1 ZINC001003544200 1264880772 /nfs/dbraw/zinc/88/07/72/1264880772.db2.gz LJGXKSACCJWBTA-UHFFFAOYSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001410383300 1264966110 /nfs/dbraw/zinc/96/61/10/1264966110.db2.gz LCIOKWSZCRGDLS-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC1CCC(F)(F)CC1 ZINC001410387161 1264977219 /nfs/dbraw/zinc/97/72/19/1264977219.db2.gz NVXPZUCZUQOKEB-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001003623657 1264982166 /nfs/dbraw/zinc/98/21/66/1264982166.db2.gz ILYDVXJSCTYHIW-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001003624125 1264982900 /nfs/dbraw/zinc/98/29/00/1264982900.db2.gz MBYKRYMZWDMTPS-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC001003624189 1264983458 /nfs/dbraw/zinc/98/34/58/1264983458.db2.gz MSTRFMWYRWCTSZ-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001410391647 1264991914 /nfs/dbraw/zinc/99/19/14/1264991914.db2.gz VIMIDHKUGTZVND-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001003626979 1264994355 /nfs/dbraw/zinc/99/43/55/1264994355.db2.gz ZEOQUHLXGSGSDJ-QGZVFWFLSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001003627490 1264995739 /nfs/dbraw/zinc/99/57/39/1264995739.db2.gz FJAXIGOIDGKLFM-LXPRWKDFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC001003628126 1264998132 /nfs/dbraw/zinc/99/81/32/1264998132.db2.gz LVNZZZZECGWKCH-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049587 1265029414 /nfs/dbraw/zinc/02/94/14/1265029414.db2.gz MEGMSKXQPLRDLF-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049587 1265029417 /nfs/dbraw/zinc/02/94/17/1265029417.db2.gz MEGMSKXQPLRDLF-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CCc1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)o1 ZINC001272999202 1265050838 /nfs/dbraw/zinc/05/08/38/1265050838.db2.gz MTPWGZKQZFVZMI-UHFFFAOYSA-N 1 3 347.503 2.608 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001085075942 1265080886 /nfs/dbraw/zinc/08/08/86/1265080886.db2.gz WZCGSMAQQYMMBQ-XHSDSOJGSA-N 1 3 332.492 2.656 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001085075942 1265080892 /nfs/dbraw/zinc/08/08/92/1265080892.db2.gz WZCGSMAQQYMMBQ-XHSDSOJGSA-N 1 3 332.492 2.656 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101622 1265146663 /nfs/dbraw/zinc/14/66/63/1265146663.db2.gz VMSVOCIWQOELKV-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N3CCCCC3)C[C@@H]21 ZINC001085101622 1265146666 /nfs/dbraw/zinc/14/66/66/1265146666.db2.gz VMSVOCIWQOELKV-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001410430594 1265161875 /nfs/dbraw/zinc/16/18/75/1265161875.db2.gz FPYYNYZVNXXJIM-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001410443610 1265367012 /nfs/dbraw/zinc/36/70/12/1265367012.db2.gz VIMIDHKUGTZVND-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075320 1266444739 /nfs/dbraw/zinc/44/47/39/1266444739.db2.gz FURBUNMAGCPHDH-CVEARBPZSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)N2CCCCC2)C1 ZINC001033075320 1266444742 /nfs/dbraw/zinc/44/47/42/1266444742.db2.gz FURBUNMAGCPHDH-CVEARBPZSA-N 1 3 327.488 2.532 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033095299 1266519622 /nfs/dbraw/zinc/51/96/22/1266519622.db2.gz WBTVWLIJCKPSDZ-LSTHTHJFSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033095299 1266519626 /nfs/dbraw/zinc/51/96/26/1266519626.db2.gz WBTVWLIJCKPSDZ-LSTHTHJFSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000733936121 1266779632 /nfs/dbraw/zinc/77/96/32/1266779632.db2.gz RIGNKPSFLPZFRV-KRWDZBQOSA-N 1 3 347.503 2.854 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004368881 1266786467 /nfs/dbraw/zinc/78/64/67/1266786467.db2.gz FXDMEPQCJBMBLV-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004368881 1266786479 /nfs/dbraw/zinc/78/64/79/1266786479.db2.gz FXDMEPQCJBMBLV-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@@H](C1CC1)N1CCCC1 ZINC001085284606 1267017778 /nfs/dbraw/zinc/01/77/78/1267017778.db2.gz CXJHOONWSCECDX-GUDVDZBRSA-N 1 3 333.520 2.678 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1)[C@@H](C1CC1)N1CCCC1 ZINC001085284938 1267031441 /nfs/dbraw/zinc/03/14/41/1267031441.db2.gz UASUSEBDOOWOMQ-GUDVDZBRSA-N 1 3 333.520 2.678 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004455772 1267082764 /nfs/dbraw/zinc/08/27/64/1267082764.db2.gz ATBNXYLVSVYENJ-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004455772 1267082775 /nfs/dbraw/zinc/08/27/75/1267082775.db2.gz ATBNXYLVSVYENJ-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004455770 1267083621 /nfs/dbraw/zinc/08/36/21/1267083621.db2.gz ATBNXYLVSVYENJ-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004455770 1267083629 /nfs/dbraw/zinc/08/36/29/1267083629.db2.gz ATBNXYLVSVYENJ-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCC3CC3)CC2)CCC1 ZINC001004458523 1267092509 /nfs/dbraw/zinc/09/25/09/1267092509.db2.gz PTVCDUJWBKCRHF-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CCC3CC3)CC2)CCC1 ZINC001004458523 1267092523 /nfs/dbraw/zinc/09/25/23/1267092523.db2.gz PTVCDUJWBKCRHF-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459384 1267097447 /nfs/dbraw/zinc/09/74/47/1267097447.db2.gz UEWYYIYNNYATIF-PMACEKPBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004459384 1267097459 /nfs/dbraw/zinc/09/74/59/1267097459.db2.gz UEWYYIYNNYATIF-PMACEKPBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460747 1267102630 /nfs/dbraw/zinc/10/26/30/1267102630.db2.gz WLWKCEAAPYOLQI-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460747 1267102637 /nfs/dbraw/zinc/10/26/37/1267102637.db2.gz WLWKCEAAPYOLQI-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1)N(C)C ZINC001004476660 1267129672 /nfs/dbraw/zinc/12/96/72/1267129672.db2.gz YYOUYOQHRCDBFK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1)N(C)C ZINC001004476660 1267129673 /nfs/dbraw/zinc/12/96/73/1267129673.db2.gz YYOUYOQHRCDBFK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2F)CC1 ZINC001085319709 1267144017 /nfs/dbraw/zinc/14/40/17/1267144017.db2.gz LGQROIOBLRAGKG-RTBURBONSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cc(-c2ccc(NC(=N)N3CC[NH+](C)CC3)nn2)ccc1Cl ZINC001168736854 1267154916 /nfs/dbraw/zinc/15/49/16/1267154916.db2.gz QGYPJYYQSYYFQH-UHFFFAOYSA-N 1 3 344.850 2.699 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3CC2)CCC1 ZINC000946621409 1267194471 /nfs/dbraw/zinc/19/44/71/1267194471.db2.gz XHDKYVUHYYLRGN-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]3CC2)CCC1 ZINC000946621409 1267194476 /nfs/dbraw/zinc/19/44/76/1267194476.db2.gz XHDKYVUHYYLRGN-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1)N(C)C ZINC001004538689 1267246532 /nfs/dbraw/zinc/24/65/32/1267246532.db2.gz FIIQQMRBIOEEDB-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1)N(C)C ZINC001004538689 1267246542 /nfs/dbraw/zinc/24/65/42/1267246542.db2.gz FIIQQMRBIOEEDB-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1)N(C)C ZINC001004540986 1267255430 /nfs/dbraw/zinc/25/54/30/1267255430.db2.gz WEEPQDHCLKQYCB-ZWKOTPCHSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1)N(C)C ZINC001004540986 1267255442 /nfs/dbraw/zinc/25/54/42/1267255442.db2.gz WEEPQDHCLKQYCB-ZWKOTPCHSA-N 1 3 341.515 2.635 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001004548737 1267272418 /nfs/dbraw/zinc/27/24/18/1267272418.db2.gz UHEVLYYYUSQHQO-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001004548737 1267272425 /nfs/dbraw/zinc/27/24/25/1267272425.db2.gz UHEVLYYYUSQHQO-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004549228 1267274477 /nfs/dbraw/zinc/27/44/77/1267274477.db2.gz VLYAFHDCDFODPU-LPHOPBHVSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004549228 1267274483 /nfs/dbraw/zinc/27/44/83/1267274483.db2.gz VLYAFHDCDFODPU-LPHOPBHVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539238 1267278879 /nfs/dbraw/zinc/27/88/79/1267278879.db2.gz INOPUYTXSFAOLD-RBUKOAKNSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539238 1267278888 /nfs/dbraw/zinc/27/88/88/1267278888.db2.gz INOPUYTXSFAOLD-RBUKOAKNSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033147157 1267366832 /nfs/dbraw/zinc/36/68/32/1267366832.db2.gz USJRIDFUVZQOTP-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033147157 1267366845 /nfs/dbraw/zinc/36/68/45/1267366845.db2.gz USJRIDFUVZQOTP-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1 ZINC001085406048 1267392316 /nfs/dbraw/zinc/39/23/16/1267392316.db2.gz MVXKTOWCJGRHNQ-IAGOWNOFSA-N 1 3 330.476 2.778 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001085406747 1267404104 /nfs/dbraw/zinc/40/41/04/1267404104.db2.gz VLBXLKWJALHYLS-HZPDHXFCSA-N 1 3 332.492 2.714 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004619036 1267414379 /nfs/dbraw/zinc/41/43/79/1267414379.db2.gz ZHTAVDXGVLKFDI-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004619036 1267414383 /nfs/dbraw/zinc/41/43/83/1267414383.db2.gz ZHTAVDXGVLKFDI-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)c1 ZINC001085431982 1267457216 /nfs/dbraw/zinc/45/72/16/1267457216.db2.gz BZJPTEFFHDGAGG-RTBURBONSA-N 1 3 329.488 2.789 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000735992120 1267481663 /nfs/dbraw/zinc/48/16/63/1267481663.db2.gz SRDFZDIQLQHCLR-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@H](F)CN(CC)CC)cc1 ZINC001128533601 1267701800 /nfs/dbraw/zinc/70/18/00/1267701800.db2.gz OWACCOSWQMQJJR-GOSISDBHSA-N 1 3 337.483 2.525 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001128543500 1267747464 /nfs/dbraw/zinc/74/74/64/1267747464.db2.gz DLNVXEJZFLQOOZ-LJQANCHMSA-N 1 3 345.462 2.726 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)c1ccc(F)cc1 ZINC001128544656 1267759266 /nfs/dbraw/zinc/75/92/66/1267759266.db2.gz OJBONUBSDJHRFR-IRXDYDNUSA-N 1 3 341.446 2.663 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001128551999 1267897263 /nfs/dbraw/zinc/89/72/63/1267897263.db2.gz IOURYQWWXSPZPZ-XJKSGUPXSA-N 1 3 343.874 2.787 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001128551998 1267898759 /nfs/dbraw/zinc/89/87/59/1267898759.db2.gz IOURYQWWXSPZPZ-CZUORRHYSA-N 1 3 343.874 2.787 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598501 1267961408 /nfs/dbraw/zinc/96/14/08/1267961408.db2.gz VCNYEJHPUCRNFK-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598501 1267961417 /nfs/dbraw/zinc/96/14/17/1267961417.db2.gz VCNYEJHPUCRNFK-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598076 1267961676 /nfs/dbraw/zinc/96/16/76/1267961676.db2.gz MOIKKFGGHLZPTA-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598076 1267961688 /nfs/dbraw/zinc/96/16/88/1267961688.db2.gz MOIKKFGGHLZPTA-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598535 1267962481 /nfs/dbraw/zinc/96/24/81/1267962481.db2.gz VPUHIDOWCFWHGM-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001085604627 1267981813 /nfs/dbraw/zinc/98/18/13/1267981813.db2.gz NHUGCTYEUOFAMP-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001085604627 1267981818 /nfs/dbraw/zinc/98/18/18/1267981818.db2.gz NHUGCTYEUOFAMP-YZGWKJHDSA-N 1 3 343.515 2.676 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085629219 1268051873 /nfs/dbraw/zinc/05/18/73/1268051873.db2.gz OGXNXFXYMYOWBM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085629219 1268051887 /nfs/dbraw/zinc/05/18/87/1268051887.db2.gz OGXNXFXYMYOWBM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085629139 1268052469 /nfs/dbraw/zinc/05/24/69/1268052469.db2.gz MIANWUISOPVFQD-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085629139 1268052473 /nfs/dbraw/zinc/05/24/73/1268052473.db2.gz MIANWUISOPVFQD-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)s1 ZINC001273352312 1268094517 /nfs/dbraw/zinc/09/45/17/1268094517.db2.gz HXVVVOPIWVVNSZ-IBGZPJMESA-N 1 3 349.544 2.884 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c(C)s1 ZINC001273352312 1268094529 /nfs/dbraw/zinc/09/45/29/1268094529.db2.gz HXVVVOPIWVVNSZ-IBGZPJMESA-N 1 3 349.544 2.884 20 0 EFADHO CN(C[C@H]1CCN1CC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639673 1268096175 /nfs/dbraw/zinc/09/61/75/1268096175.db2.gz UFVMINAFETUNME-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CC1CCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639673 1268096188 /nfs/dbraw/zinc/09/61/88/1268096188.db2.gz UFVMINAFETUNME-MOPGFXCFSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942985 1268198732 /nfs/dbraw/zinc/19/87/32/1268198732.db2.gz CIDDEZKVRHRVAZ-QAPCUYQASA-N 1 3 332.492 2.892 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942983 1268198888 /nfs/dbraw/zinc/19/88/88/1268198888.db2.gz CIDDEZKVRHRVAZ-CRAIPNDOSA-N 1 3 332.492 2.892 20 0 EFADHO CN(C[C@H]1CCN1CC1CC2(CCC2)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695953 1268211301 /nfs/dbraw/zinc/21/13/01/1268211301.db2.gz VZUQRBLPIHPHBG-GOSISDBHSA-N 1 3 345.531 2.728 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001004945656 1268228933 /nfs/dbraw/zinc/22/89/33/1268228933.db2.gz JVQGZTAFDSYPKJ-LPHOPBHVSA-N 1 3 340.471 2.820 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765663 1268266882 /nfs/dbraw/zinc/26/68/82/1268266882.db2.gz UCFOOOYXMWIEEH-AKHDSKFASA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946765663 1268266892 /nfs/dbraw/zinc/26/68/92/1268266892.db2.gz UCFOOOYXMWIEEH-AKHDSKFASA-N 1 3 337.552 2.789 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085742587 1268394777 /nfs/dbraw/zinc/39/47/77/1268394777.db2.gz UCWFPRARHHLHNP-GOSISDBHSA-N 1 3 331.504 2.737 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946776772 1268464878 /nfs/dbraw/zinc/46/48/78/1268464878.db2.gz SKOQAPQFRRFMDH-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)C1 ZINC000946776772 1268464882 /nfs/dbraw/zinc/46/48/82/1268464882.db2.gz SKOQAPQFRRFMDH-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]3CC2)C1 ZINC000946779176 1268507344 /nfs/dbraw/zinc/50/73/44/1268507344.db2.gz JDUSGRDSBRAVLL-GBESFXJTSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]3CC2)C1 ZINC000946779176 1268507351 /nfs/dbraw/zinc/50/73/51/1268507351.db2.gz JDUSGRDSBRAVLL-GBESFXJTSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779207 1268509122 /nfs/dbraw/zinc/50/91/22/1268509122.db2.gz JSUIFQPXSVMSLX-QRVBRYPASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779207 1268509124 /nfs/dbraw/zinc/50/91/24/1268509124.db2.gz JSUIFQPXSVMSLX-QRVBRYPASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779860 1268521032 /nfs/dbraw/zinc/52/10/32/1268521032.db2.gz UMBAVJMADJZWGN-GBESFXJTSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779860 1268521038 /nfs/dbraw/zinc/52/10/38/1268521038.db2.gz UMBAVJMADJZWGN-GBESFXJTSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779917 1268521167 /nfs/dbraw/zinc/52/11/67/1268521167.db2.gz VPTZUMVPANOHEA-MKXGPGLRSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779917 1268521170 /nfs/dbraw/zinc/52/11/70/1268521170.db2.gz VPTZUMVPANOHEA-MKXGPGLRSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946784587 1268581846 /nfs/dbraw/zinc/58/18/46/1268581846.db2.gz OFTQAGFWKBBBRP-DUBPFDJUSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946784587 1268581853 /nfs/dbraw/zinc/58/18/53/1268581853.db2.gz OFTQAGFWKBBBRP-DUBPFDJUSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033295948 1268679459 /nfs/dbraw/zinc/67/94/59/1268679459.db2.gz OXBLQIRTICJFBI-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033295948 1268679467 /nfs/dbraw/zinc/67/94/67/1268679467.db2.gz OXBLQIRTICJFBI-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CC[C@@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273127976 1268684111 /nfs/dbraw/zinc/68/41/11/1268684111.db2.gz MRJCPIXONNORKY-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCN1CC[C@@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273127976 1268684124 /nfs/dbraw/zinc/68/41/24/1268684124.db2.gz MRJCPIXONNORKY-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC[C@@H](C)N1CC[C@]2(CCC[N@@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128762 1268693716 /nfs/dbraw/zinc/69/37/16/1268693716.db2.gz WJXADQXDFLHBDZ-YLJYHZDGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C)N1CC[C@]2(CCC[N@H+]2CC2(CN(C)C)CCCC2)C1=O ZINC001273128762 1268693718 /nfs/dbraw/zinc/69/37/18/1268693718.db2.gz WJXADQXDFLHBDZ-YLJYHZDGSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2CC1 ZINC000946807919 1268772142 /nfs/dbraw/zinc/77/21/42/1268772142.db2.gz GQAFJZCLONGTNY-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2CC1 ZINC000946807919 1268772149 /nfs/dbraw/zinc/77/21/49/1268772149.db2.gz GQAFJZCLONGTNY-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033317717 1268775280 /nfs/dbraw/zinc/77/52/80/1268775280.db2.gz DATSZSCBTHPMOS-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033317717 1268775289 /nfs/dbraw/zinc/77/52/89/1268775289.db2.gz DATSZSCBTHPMOS-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033317717 1268775295 /nfs/dbraw/zinc/77/52/95/1268775295.db2.gz DATSZSCBTHPMOS-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)CC[C@@H]([NH2+]Cc1cc(Br)nn1C)C(C)(C)C ZINC000785471857 1268813729 /nfs/dbraw/zinc/81/37/29/1268813729.db2.gz RDYUEPSKRSZCJV-GFCCVEGCSA-N 1 3 331.302 2.639 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354686 1268934446 /nfs/dbraw/zinc/93/44/46/1268934446.db2.gz RJYLWMAGFBLITH-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033354686 1268934460 /nfs/dbraw/zinc/93/44/60/1268934460.db2.gz RJYLWMAGFBLITH-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415107 1269081978 /nfs/dbraw/zinc/08/19/78/1269081978.db2.gz GXAITGHICCRTOQ-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415107 1269081983 /nfs/dbraw/zinc/08/19/83/1269081983.db2.gz GXAITGHICCRTOQ-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033414535 1269082205 /nfs/dbraw/zinc/08/22/05/1269082205.db2.gz CMWBGKGPYOIIIE-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033414535 1269082214 /nfs/dbraw/zinc/08/22/14/1269082214.db2.gz CMWBGKGPYOIIIE-JXFKEZNVSA-N 1 3 343.515 2.678 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033415130 1269082554 /nfs/dbraw/zinc/08/25/54/1269082554.db2.gz HDJGJWAOMDRYMH-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033415130 1269082566 /nfs/dbraw/zinc/08/25/66/1269082566.db2.gz HDJGJWAOMDRYMH-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415863 1269086641 /nfs/dbraw/zinc/08/66/41/1269086641.db2.gz MBHMJWWCKNDEGP-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415863 1269086644 /nfs/dbraw/zinc/08/66/44/1269086644.db2.gz MBHMJWWCKNDEGP-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033417044 1269089521 /nfs/dbraw/zinc/08/95/21/1269089521.db2.gz UOCGPCXONKQMDN-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033417044 1269089527 /nfs/dbraw/zinc/08/95/27/1269089527.db2.gz UOCGPCXONKQMDN-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001033418308 1269094264 /nfs/dbraw/zinc/09/42/64/1269094264.db2.gz BPOLPPIHLVQATM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001033418308 1269094272 /nfs/dbraw/zinc/09/42/72/1269094272.db2.gz BPOLPPIHLVQATM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001033418306 1269096538 /nfs/dbraw/zinc/09/65/38/1269096538.db2.gz BPOLPPIHLVQATM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001033418306 1269096547 /nfs/dbraw/zinc/09/65/47/1269096547.db2.gz BPOLPPIHLVQATM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001033423975 1269129007 /nfs/dbraw/zinc/12/90/07/1269129007.db2.gz PSVKJJUIDFVUPL-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001033423975 1269129011 /nfs/dbraw/zinc/12/90/11/1269129011.db2.gz PSVKJJUIDFVUPL-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928207 1269130149 /nfs/dbraw/zinc/13/01/49/1269130149.db2.gz QCWNCHYUBLQTRL-ROUUACIJSA-N 1 3 341.499 2.685 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001033425806 1269132524 /nfs/dbraw/zinc/13/25/24/1269132524.db2.gz ZTCKGKUHQHDGGY-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001033425806 1269132527 /nfs/dbraw/zinc/13/25/27/1269132527.db2.gz ZTCKGKUHQHDGGY-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467728 1269208908 /nfs/dbraw/zinc/20/89/08/1269208908.db2.gz RCLYGNWSLLZONQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467728 1269208918 /nfs/dbraw/zinc/20/89/18/1269208918.db2.gz RCLYGNWSLLZONQ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467729 1269209727 /nfs/dbraw/zinc/20/97/27/1269209727.db2.gz RCLYGNWSLLZONQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467729 1269209735 /nfs/dbraw/zinc/20/97/35/1269209735.db2.gz RCLYGNWSLLZONQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005177082 1269335899 /nfs/dbraw/zinc/33/58/99/1269335899.db2.gz AJRTZSGUWMBLEN-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005182848 1269345780 /nfs/dbraw/zinc/34/57/80/1269345780.db2.gz HFMUTCHCJODLFG-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO CCc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001005183815 1269352887 /nfs/dbraw/zinc/35/28/87/1269352887.db2.gz KGBOBVMRJNSEDE-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984727 1269410274 /nfs/dbraw/zinc/41/02/74/1269410274.db2.gz MAKNBVXPUZYWRX-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582040 1269488868 /nfs/dbraw/zinc/48/88/68/1269488868.db2.gz NKCOUOIPEOOWSP-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582040 1269488870 /nfs/dbraw/zinc/48/88/70/1269488870.db2.gz NKCOUOIPEOOWSP-MOPGFXCFSA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798697 1269509153 /nfs/dbraw/zinc/50/91/53/1269509153.db2.gz BBHOZLICBVNRAI-RTBURBONSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798697 1269509159 /nfs/dbraw/zinc/50/91/59/1269509159.db2.gz BBHOZLICBVNRAI-RTBURBONSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@H+]1CCCC[C@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798697 1269509167 /nfs/dbraw/zinc/50/91/67/1269509167.db2.gz BBHOZLICBVNRAI-RTBURBONSA-N 1 3 345.487 2.719 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682929 1269788328 /nfs/dbraw/zinc/78/83/28/1269788328.db2.gz DUFKVDLLLILZJR-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682929 1269788340 /nfs/dbraw/zinc/78/83/40/1269788340.db2.gz DUFKVDLLLILZJR-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033684989 1269794556 /nfs/dbraw/zinc/79/45/56/1269794556.db2.gz JYBXPNIRKIKEDW-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033684989 1269794568 /nfs/dbraw/zinc/79/45/68/1269794568.db2.gz JYBXPNIRKIKEDW-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001033685448 1269796188 /nfs/dbraw/zinc/79/61/88/1269796188.db2.gz LKSXBTIDISWWFF-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001033685448 1269796198 /nfs/dbraw/zinc/79/61/98/1269796198.db2.gz LKSXBTIDISWWFF-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086102260 1269973323 /nfs/dbraw/zinc/97/33/23/1269973323.db2.gz PGDANXDDHKELPE-UHOSZYNNSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086102028 1269973481 /nfs/dbraw/zinc/97/34/81/1269973481.db2.gz GEWHZZIWDNUYTB-JQHSSLGASA-N 1 3 349.544 2.915 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086102502 1269975009 /nfs/dbraw/zinc/97/50/09/1269975009.db2.gz ZENWYLNQSAJXQM-ZCNNSNEGSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001410946451 1270351697 /nfs/dbraw/zinc/35/16/97/1270351697.db2.gz BORZRPTUIVYIFP-AEFFLSMTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033853482 1270387935 /nfs/dbraw/zinc/38/79/35/1270387935.db2.gz BTXVMNXQHRZIOY-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)[C@@H]1CCN(CC=C(C)C)C1 ZINC001033853482 1270387942 /nfs/dbraw/zinc/38/79/42/1270387942.db2.gz BTXVMNXQHRZIOY-RBUKOAKNSA-N 1 3 335.536 2.853 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC1 ZINC001086186717 1270402688 /nfs/dbraw/zinc/40/26/88/1270402688.db2.gz LWAAOCOSEQATOJ-KDYLLFBJSA-N 1 3 349.906 2.666 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128774668 1270497926 /nfs/dbraw/zinc/49/79/26/1270497926.db2.gz WFADGQOIFNZDFY-MRXNPFEDSA-N 1 3 341.858 2.559 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001128774668 1270497929 /nfs/dbraw/zinc/49/79/29/1270497929.db2.gz WFADGQOIFNZDFY-MRXNPFEDSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086217087 1270519086 /nfs/dbraw/zinc/51/90/86/1270519086.db2.gz NICITDPJHAQJCH-HSALFYBXSA-N 1 3 343.515 2.934 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001128773582 1270519969 /nfs/dbraw/zinc/51/99/69/1270519969.db2.gz BYAVHKSSXDITNE-KRWDZBQOSA-N 1 3 329.444 2.513 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001128773582 1270519975 /nfs/dbraw/zinc/51/99/75/1270519975.db2.gz BYAVHKSSXDITNE-KRWDZBQOSA-N 1 3 329.444 2.513 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128773885 1270526128 /nfs/dbraw/zinc/52/61/28/1270526128.db2.gz HREHIDOKTJOREY-MRXNPFEDSA-N 1 3 341.858 2.559 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128773885 1270526130 /nfs/dbraw/zinc/52/61/30/1270526130.db2.gz HREHIDOKTJOREY-MRXNPFEDSA-N 1 3 341.858 2.559 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086251007 1270681538 /nfs/dbraw/zinc/68/15/38/1270681538.db2.gz WZDPEJXCFAFRBD-OTWHNJEPSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041990 1270947958 /nfs/dbraw/zinc/94/79/58/1270947958.db2.gz JZTHPZKMKYWCEQ-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041990 1270947961 /nfs/dbraw/zinc/94/79/61/1270947961.db2.gz JZTHPZKMKYWCEQ-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001006296341 1270951577 /nfs/dbraw/zinc/95/15/77/1270951577.db2.gz YBWDPVGSPVUFDI-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001006296341 1270951584 /nfs/dbraw/zinc/95/15/84/1270951584.db2.gz YBWDPVGSPVUFDI-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCc2ccccc2C)C1)N(C)C ZINC001409973104 1271168297 /nfs/dbraw/zinc/16/82/97/1271168297.db2.gz VOYFNTARTWQFLB-XLIONFOSSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cs1 ZINC001086364734 1271169281 /nfs/dbraw/zinc/16/92/81/1271169281.db2.gz PDJURDASYGAERR-KBAYOESNSA-N 1 3 349.544 2.914 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034133388 1271185688 /nfs/dbraw/zinc/18/56/88/1271185688.db2.gz YUCVWPCRBIZZHD-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001034133388 1271185692 /nfs/dbraw/zinc/18/56/92/1271185692.db2.gz YUCVWPCRBIZZHD-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001086382347 1271226374 /nfs/dbraw/zinc/22/63/74/1271226374.db2.gz CMWNMPPPRIIZCD-FHWLQOOXSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086382842 1271226424 /nfs/dbraw/zinc/22/64/24/1271226424.db2.gz ZVIKWDFCVVUEIO-SZMVWBNQSA-N 1 3 335.536 2.781 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086382602 1271226697 /nfs/dbraw/zinc/22/66/97/1271226697.db2.gz PGDANXDDHKELPE-BHIYHBOVSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086382603 1271226781 /nfs/dbraw/zinc/22/67/81/1271226781.db2.gz PGDANXDDHKELPE-WDSOQIARSA-N 1 3 347.547 2.926 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001409973316 1271238193 /nfs/dbraw/zinc/23/81/93/1271238193.db2.gz VVKMBNFHRZYEBL-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001409973316 1271238204 /nfs/dbraw/zinc/23/82/04/1271238204.db2.gz VVKMBNFHRZYEBL-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)=CCN1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256879 1271461635 /nfs/dbraw/zinc/46/16/35/1271461635.db2.gz CZZJAHYREUFZJJ-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO O=C(N[C@@H]1CCCCN(Cc2ccccn2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291580 1271574364 /nfs/dbraw/zinc/57/43/64/1271574364.db2.gz MBTROHDBBMZHRI-GOSISDBHSA-N 1 3 349.438 2.514 20 0 EFADHO Cc1cnc(CN(C)CC2CC[NH+](C)CC2)cc1Br ZINC001143661442 1278645640 /nfs/dbraw/zinc/64/56/40/1278645640.db2.gz ZDVCBUYXHMROIE-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330274 1271670900 /nfs/dbraw/zinc/67/09/00/1271670900.db2.gz LWDDNCSQIZGWAS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330274 1271670911 /nfs/dbraw/zinc/67/09/11/1271670911.db2.gz LWDDNCSQIZGWAS-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086497183 1271865702 /nfs/dbraw/zinc/86/57/02/1271865702.db2.gz AJHBMMQWZQSUEV-BZSNNMDCSA-N 1 3 349.544 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086497470 1271866265 /nfs/dbraw/zinc/86/62/65/1271866265.db2.gz NICITDPJHAQJCH-UFYCRDLUSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086497513 1271868346 /nfs/dbraw/zinc/86/83/46/1271868346.db2.gz OIOBRHWCQHXDMV-FHWLQOOXSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001034489870 1272106615 /nfs/dbraw/zinc/10/66/15/1272106615.db2.gz FELGVTGYFRPXGZ-KRWDZBQOSA-N 1 3 347.528 2.623 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]C/C=C/c3ccccc3)C2)CCC1 ZINC001411242590 1272114644 /nfs/dbraw/zinc/11/46/44/1272114644.db2.gz ZDOXAZWYNCBYKB-YRNVUSSQSA-N 1 3 341.499 2.763 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001411245048 1272119449 /nfs/dbraw/zinc/11/94/49/1272119449.db2.gz IMAKLGWBSMXVCK-SOAGJPPSSA-N 1 3 345.531 2.969 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001411249404 1272133168 /nfs/dbraw/zinc/13/31/68/1272133168.db2.gz MVEWWEXGCDLUBS-UHFFFAOYSA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccc(CN2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034524266 1272191497 /nfs/dbraw/zinc/19/14/97/1272191497.db2.gz FNWMFZIOLYGNSI-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034524266 1272191502 /nfs/dbraw/zinc/19/15/02/1272191502.db2.gz FNWMFZIOLYGNSI-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524539 1272192396 /nfs/dbraw/zinc/19/23/96/1272192396.db2.gz HFYQDDHNBNDZQP-LPHOPBHVSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001034524539 1272192404 /nfs/dbraw/zinc/19/24/04/1272192404.db2.gz HFYQDDHNBNDZQP-LPHOPBHVSA-N 1 3 347.478 2.557 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773227 1272207337 /nfs/dbraw/zinc/20/73/37/1272207337.db2.gz SBYBNAKQPCOLIZ-YLJYHZDGSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000379773227 1272207343 /nfs/dbraw/zinc/20/73/43/1272207343.db2.gz SBYBNAKQPCOLIZ-YLJYHZDGSA-N 1 3 328.431 2.971 20 0 EFADHO CCN(Cc1ccc(C)c(F)c1)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193873 1272292611 /nfs/dbraw/zinc/29/26/11/1272292611.db2.gz JPRCVQHRRUFVBO-MRXNPFEDSA-N 1 3 337.483 2.803 20 0 EFADHO CCN(Cc1ccc(C)c(F)c1)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193873 1272292616 /nfs/dbraw/zinc/29/26/16/1272292616.db2.gz JPRCVQHRRUFVBO-MRXNPFEDSA-N 1 3 337.483 2.803 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034659829 1272465519 /nfs/dbraw/zinc/46/55/19/1272465519.db2.gz ZXPIYKXDFWYJRA-LKIAZTKLSA-N 1 3 335.536 2.924 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001168756233 1272553834 /nfs/dbraw/zinc/55/38/34/1272553834.db2.gz XBABITWQXFYDOY-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)C2 ZINC001169082025 1272657800 /nfs/dbraw/zinc/65/78/00/1272657800.db2.gz XJIBZCOJHLBYPI-JONQDZQNSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3=O)cc1)C2 ZINC001169118412 1272674009 /nfs/dbraw/zinc/67/40/09/1272674009.db2.gz JGHFDUGOKLXVSY-LUPIEILUSA-N 1 3 327.472 2.918 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169122868 1272678682 /nfs/dbraw/zinc/67/86/82/1272678682.db2.gz FPUDWTJAISJXNA-MCEUPANISA-N 1 3 347.503 2.623 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H]1C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 ZINC001169122868 1272678686 /nfs/dbraw/zinc/67/86/86/1272678686.db2.gz FPUDWTJAISJXNA-MCEUPANISA-N 1 3 347.503 2.623 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3Cl)C1)C2 ZINC001169124375 1272680173 /nfs/dbraw/zinc/68/01/73/1272680173.db2.gz QNYUGMVCGZVZAO-NXOAAHMSSA-N 1 3 347.890 2.656 20 0 EFADHO CN([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169129157 1272683917 /nfs/dbraw/zinc/68/39/17/1272683917.db2.gz HCPNWZQCWFMJGY-VVLHAWIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001169129157 1272683923 /nfs/dbraw/zinc/68/39/23/1272683923.db2.gz HCPNWZQCWFMJGY-VVLHAWIVSA-N 1 3 337.508 2.943 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ncnc(-c4cccnc4)c3CC1)C2 ZINC001169133626 1272693671 /nfs/dbraw/zinc/69/36/71/1272693671.db2.gz IIDALOIJRMKJHA-BCDXTJNWSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ncnc(-c4cccnc4)c3CC1)C2 ZINC001169133626 1272693677 /nfs/dbraw/zinc/69/36/77/1272693677.db2.gz IIDALOIJRMKJHA-BCDXTJNWSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ncnc(-c4ccncc4)c3CC1)C2 ZINC001169139003 1272696582 /nfs/dbraw/zinc/69/65/82/1272696582.db2.gz LPOXWWWTOZWEKJ-PIIMJCKOSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCc3ncnc(-c4ccncc4)c3CC1)C2 ZINC001169139003 1272696589 /nfs/dbraw/zinc/69/65/89/1272696589.db2.gz LPOXWWWTOZWEKJ-PIIMJCKOSA-N 1 3 349.482 2.564 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145464 1272706811 /nfs/dbraw/zinc/70/68/11/1272706811.db2.gz MSTDPSXMHKZFGK-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145464 1272706816 /nfs/dbraw/zinc/70/68/16/1272706816.db2.gz MSTDPSXMHKZFGK-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](NC(=O)c3cccc(F)c3)C1)C2 ZINC001169154982 1272714891 /nfs/dbraw/zinc/71/48/91/1272714891.db2.gz VISKWGBOXJZGEE-YRXWBPOGSA-N 1 3 345.462 2.645 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](NC(=O)c3cccc(F)c3)C1)C2 ZINC001169154982 1272714897 /nfs/dbraw/zinc/71/48/97/1272714897.db2.gz VISKWGBOXJZGEE-YRXWBPOGSA-N 1 3 345.462 2.645 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169153887 1272715192 /nfs/dbraw/zinc/71/51/92/1272715192.db2.gz LUKWTFHYMZTKGU-ACDBMABISA-N 1 3 341.499 2.848 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169153887 1272715196 /nfs/dbraw/zinc/71/51/96/1272715196.db2.gz LUKWTFHYMZTKGU-ACDBMABISA-N 1 3 341.499 2.848 20 0 EFADHO CC1(C)C[C@@H](Nc2ccc3c(c2)COC32CNC2)C[C@@](C)(C[NH3+])C1 ZINC001169154305 1272716005 /nfs/dbraw/zinc/71/60/05/1272716005.db2.gz WKMMMTSAPWCEED-VQIMIIECSA-N 1 3 329.488 2.971 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001169155341 1272719023 /nfs/dbraw/zinc/71/90/23/1272719023.db2.gz NICFBBWWGLQCLI-REPLKXPHSA-N 1 3 333.520 2.726 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCN(C(=O)C3CCCCC3)CC1)C2 ZINC001169155341 1272719025 /nfs/dbraw/zinc/71/90/25/1272719025.db2.gz NICFBBWWGLQCLI-REPLKXPHSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140496 1272727185 /nfs/dbraw/zinc/72/71/85/1272727185.db2.gz KLGRILGNLBMHSL-NXOAAHMSSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1)C2 ZINC001169140496 1272727190 /nfs/dbraw/zinc/72/71/90/1272727190.db2.gz KLGRILGNLBMHSL-NXOAAHMSSA-N 1 3 337.508 2.848 20 0 EFADHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cccc(CN(C)C)n1 ZINC001169174408 1272738733 /nfs/dbraw/zinc/73/87/33/1272738733.db2.gz STFCRWKDRVVAFE-UHFFFAOYSA-N 1 3 338.455 2.905 20 0 EFADHO CCOC(=O)CC1(NC2CC[NH+](CC)CC2)Cc2ccccc2C1 ZINC001169224688 1272744895 /nfs/dbraw/zinc/74/48/95/1272744895.db2.gz KRSFUQOVDBBNNX-UHFFFAOYSA-N 1 3 330.472 2.551 20 0 EFADHO CC(C)[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001034733339 1272760096 /nfs/dbraw/zinc/76/00/96/1272760096.db2.gz WJKWWPWYNIVUKT-IIDMSEBBSA-N 1 3 327.488 2.624 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC001034735460 1272760983 /nfs/dbraw/zinc/76/09/83/1272760983.db2.gz HRVDAYQYRRNKJZ-KBAYOESNSA-N 1 3 347.478 2.827 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001034785640 1272961478 /nfs/dbraw/zinc/96/14/78/1272961478.db2.gz DHEJKJPYVYGDCL-SHTZXODSSA-N 1 3 332.473 2.539 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169512892 1272975414 /nfs/dbraw/zinc/97/54/14/1272975414.db2.gz JPQQRMJXZCKSEL-LJQANCHMSA-N 1 3 349.906 2.762 20 0 EFADHO CC(=O)N1CC[C@@H](N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001169559704 1273004095 /nfs/dbraw/zinc/00/40/95/1273004095.db2.gz IYOXTLHKJZSEKF-SRHPJPHMSA-N 1 3 343.515 2.502 20 0 EFADHO CC(=O)N1CC[C@@H](N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)C1 ZINC001169559704 1273004102 /nfs/dbraw/zinc/00/41/02/1273004102.db2.gz IYOXTLHKJZSEKF-SRHPJPHMSA-N 1 3 343.515 2.502 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034817038 1273059168 /nfs/dbraw/zinc/05/91/68/1273059168.db2.gz OQIURZNWQALEHN-IBGZPJMESA-N 1 3 329.488 2.677 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741599 1273128581 /nfs/dbraw/zinc/12/85/81/1273128581.db2.gz AGWJCZRYGRSKCG-GUDVDZBRSA-N 1 3 329.488 2.754 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741599 1273128585 /nfs/dbraw/zinc/12/85/85/1273128585.db2.gz AGWJCZRYGRSKCG-GUDVDZBRSA-N 1 3 329.488 2.754 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC001034882055 1273145718 /nfs/dbraw/zinc/14/57/18/1273145718.db2.gz QVNLBRUOJNSUSY-UYAOXDASSA-N 1 3 343.515 2.787 20 0 EFADHO CC[NH+]1CCC(N(C)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169774564 1273148284 /nfs/dbraw/zinc/14/82/84/1273148284.db2.gz GCWYVQUUBBRPDZ-IBGZPJMESA-N 1 3 329.488 2.707 20 0 EFADHO C[N@H+](CCCN1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169774209 1273159319 /nfs/dbraw/zinc/15/93/19/1273159319.db2.gz FABWOKYKGGAJIL-LJQANCHMSA-N 1 3 329.488 2.709 20 0 EFADHO C[N@@H+](CCCN1CCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169774209 1273159326 /nfs/dbraw/zinc/15/93/26/1273159326.db2.gz FABWOKYKGGAJIL-LJQANCHMSA-N 1 3 329.488 2.709 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@H]3CCCC4(C3)OCCO4)CC2)ccn1 ZINC001169923228 1273263348 /nfs/dbraw/zinc/26/33/48/1273263348.db2.gz HIZBLRAELUVUIZ-IBGZPJMESA-N 1 3 345.487 2.569 20 0 EFADHO c1cncc(CN2CCC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169925105 1273265541 /nfs/dbraw/zinc/26/55/41/1273265541.db2.gz OXPAAAQBPXLEAJ-LJQANCHMSA-N 1 3 345.487 2.569 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034954908 1273266680 /nfs/dbraw/zinc/26/66/80/1273266680.db2.gz XEMKARFQSJPPFU-IEBWSBKVSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034954908 1273266687 /nfs/dbraw/zinc/26/66/87/1273266687.db2.gz XEMKARFQSJPPFU-IEBWSBKVSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034954910 1273267925 /nfs/dbraw/zinc/26/79/25/1273267925.db2.gz XEMKARFQSJPPFU-MJGOQNOKSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034954910 1273267935 /nfs/dbraw/zinc/26/79/35/1273267935.db2.gz XEMKARFQSJPPFU-MJGOQNOKSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001034957201 1273270518 /nfs/dbraw/zinc/27/05/18/1273270518.db2.gz MNQNEYZCXXGQHG-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001034957705 1273270650 /nfs/dbraw/zinc/27/06/50/1273270650.db2.gz FZEHFPYLLBXEJW-LJQANCHMSA-N 1 3 329.488 2.560 20 0 EFADHO CCN(Cc1ccc(C)c(F)c1)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409722 1273270857 /nfs/dbraw/zinc/27/08/57/1273270857.db2.gz WAXBAVWBULJYDV-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001034957417 1273271584 /nfs/dbraw/zinc/27/15/84/1273271584.db2.gz SWAKCVVFJNKUQL-FUHWJXTLSA-N 1 3 329.488 2.813 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001034957666 1273271872 /nfs/dbraw/zinc/27/18/72/1273271872.db2.gz DQWYGPGYMNXREH-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001034959515 1273276433 /nfs/dbraw/zinc/27/64/33/1273276433.db2.gz ZVEZRZCIBDVFRQ-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001034940679 1273281478 /nfs/dbraw/zinc/28/14/78/1273281478.db2.gz BNYWXGAARIPLMV-ZIFCJYIRSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001034940679 1273281483 /nfs/dbraw/zinc/28/14/83/1273281483.db2.gz BNYWXGAARIPLMV-ZIFCJYIRSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001034971237 1273287672 /nfs/dbraw/zinc/28/76/72/1273287672.db2.gz HCOHHKDAKFZUCV-NVXWUHKLSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC001034973709 1273293744 /nfs/dbraw/zinc/29/37/44/1273293744.db2.gz BFVXQYNVBCEWOB-NZSAHSFTSA-N 1 3 329.488 2.595 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCCN2C)c1 ZINC001034973882 1273294488 /nfs/dbraw/zinc/29/44/88/1273294488.db2.gz UBNHXNPNHFCRTH-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001034960926 1273311595 /nfs/dbraw/zinc/31/15/95/1273311595.db2.gz ONWROKITLPTBRJ-MJGOQNOKSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001034964267 1273318194 /nfs/dbraw/zinc/31/81/94/1273318194.db2.gz FJXGECWVXUEGLY-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001034964967 1273318878 /nfs/dbraw/zinc/31/88/78/1273318878.db2.gz BBIHBCVTOGFGKB-RLLQIKCJSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(C3CCC3)cc2)CCC1 ZINC001129357294 1273370347 /nfs/dbraw/zinc/37/03/47/1273370347.db2.gz IZKDFFRJXXWMJR-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC001035013643 1273386685 /nfs/dbraw/zinc/38/66/85/1273386685.db2.gz MLQKYVVHPNQJOG-QXAKKESOSA-N 1 3 329.488 2.731 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]C2c3ccccc3-c3ccccc32)CCC1 ZINC001129357929 1273390663 /nfs/dbraw/zinc/39/06/63/1273390663.db2.gz NVPPHASGOSQUBJ-UHFFFAOYSA-N 1 3 349.478 2.947 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001035039638 1273426030 /nfs/dbraw/zinc/42/60/30/1273426030.db2.gz HKUHBXRLSYMUBD-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001035039434 1273426251 /nfs/dbraw/zinc/42/62/51/1273426251.db2.gz BKOBFNUUAVXRNR-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001035062046 1273447252 /nfs/dbraw/zinc/44/72/52/1273447252.db2.gz DOYGXAWXXXVTDK-LJQANCHMSA-N 1 3 338.455 2.610 20 0 EFADHO CCC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768586 1273456022 /nfs/dbraw/zinc/45/60/22/1273456022.db2.gz CAPTWDXZXYTVQL-QOSFWDOTSA-N 1 3 330.476 2.668 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001035047804 1273463746 /nfs/dbraw/zinc/46/37/46/1273463746.db2.gz HLLUXYKFJJFVEC-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001035047804 1273463751 /nfs/dbraw/zinc/46/37/51/1273463751.db2.gz HLLUXYKFJJFVEC-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001035049751 1273466405 /nfs/dbraw/zinc/46/64/05/1273466405.db2.gz SBQGDBMOSRALBM-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001035050117 1273467120 /nfs/dbraw/zinc/46/71/20/1273467120.db2.gz UYVQUPNXIZJBIW-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)CC(C)(C)C)C2 ZINC001108764341 1273467426 /nfs/dbraw/zinc/46/74/26/1273467426.db2.gz ISZDWVLOPBZADX-BZSNNMDCSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108764752 1273468561 /nfs/dbraw/zinc/46/85/61/1273468561.db2.gz VZIXPDUGOHNJDH-BZSNNMDCSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC001035052323 1273469509 /nfs/dbraw/zinc/46/95/09/1273469509.db2.gz KONUEZIEPWXIFP-OAGGEKHMSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001035052362 1273470636 /nfs/dbraw/zinc/47/06/36/1273470636.db2.gz WQAFPCXNLKLRRR-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](CC)N(C)C)cc1 ZINC001035052591 1273470714 /nfs/dbraw/zinc/47/07/14/1273470714.db2.gz QPVDGZKXHSKHPU-MOPGFXCFSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001035052856 1273470780 /nfs/dbraw/zinc/47/07/80/1273470780.db2.gz VMDIRAVHVKRLBX-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001035052375 1273471191 /nfs/dbraw/zinc/47/11/91/1273471191.db2.gz MCUOTAYHEVYETR-QGTPRVQTSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1sccc1Cl)N(C)C ZINC001035052395 1273471506 /nfs/dbraw/zinc/47/15/06/1273471506.db2.gz MRDCYDZRLUWKFA-OCCSQVGLSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001035055516 1273475255 /nfs/dbraw/zinc/47/52/55/1273475255.db2.gz UTGZSFOZHPYCJX-OLMNPRSZSA-N 1 3 335.467 2.808 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCC[C@@H]2CNCc2ccccc2F)CC1 ZINC001035067111 1273496585 /nfs/dbraw/zinc/49/65/85/1273496585.db2.gz NGJZWCFLXVWGJQ-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001035125350 1273590467 /nfs/dbraw/zinc/59/04/67/1273590467.db2.gz FSTXQKRONZNLCA-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001035132016 1273600577 /nfs/dbraw/zinc/60/05/77/1273600577.db2.gz WRZTWRGNUSAWDF-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001035132972 1273601775 /nfs/dbraw/zinc/60/17/75/1273601775.db2.gz HCAXVNTYLPJEMI-IAGOWNOFSA-N 1 3 335.517 2.703 20 0 EFADHO CC(C)[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000704789871 1273660795 /nfs/dbraw/zinc/66/07/95/1273660795.db2.gz WQQLIIQYZSQUTA-IRXDYDNUSA-N 1 3 325.447 2.811 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227774 1273850073 /nfs/dbraw/zinc/85/00/73/1273850073.db2.gz YCDHVHXZHGYCAC-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227774 1273850084 /nfs/dbraw/zinc/85/00/84/1273850084.db2.gz YCDHVHXZHGYCAC-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)c(Cl)c1 ZINC001129380416 1273856075 /nfs/dbraw/zinc/85/60/75/1273856075.db2.gz IEZATGOFDWLTLQ-GFCCVEGCSA-N 1 3 341.858 2.730 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CC[N@H+](CC4CCC4)C3)CC2)CC1 ZINC001035238524 1273902846 /nfs/dbraw/zinc/90/28/46/1273902846.db2.gz CEDVGCVEMRIOGR-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CCC4)C3)CC2)CC1 ZINC001035238524 1273902854 /nfs/dbraw/zinc/90/28/54/1273902854.db2.gz CEDVGCVEMRIOGR-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035256591 1273945272 /nfs/dbraw/zinc/94/52/72/1273945272.db2.gz JPLUJVNPBZLHQK-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccc(CN(C)C)c1)CC2 ZINC001035256591 1273945276 /nfs/dbraw/zinc/94/52/76/1273945276.db2.gz JPLUJVNPBZLHQK-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035260036 1273954522 /nfs/dbraw/zinc/95/45/22/1273954522.db2.gz NOPWVWUBJLBBGT-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001035260036 1273954528 /nfs/dbraw/zinc/95/45/28/1273954528.db2.gz NOPWVWUBJLBBGT-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001035254461 1273984474 /nfs/dbraw/zinc/98/44/74/1273984474.db2.gz HPQYSXCJAKNAJL-UHFFFAOYSA-N 1 3 345.531 2.897 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001035254461 1273984479 /nfs/dbraw/zinc/98/44/79/1273984479.db2.gz HPQYSXCJAKNAJL-UHFFFAOYSA-N 1 3 345.531 2.897 20 0 EFADHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361404 1274191886 /nfs/dbraw/zinc/19/18/86/1274191886.db2.gz VGKYPZIXDSBMLM-OWSLCNJRSA-N 1 3 341.515 2.968 20 0 EFADHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109361404 1274191896 /nfs/dbraw/zinc/19/18/96/1274191896.db2.gz VGKYPZIXDSBMLM-OWSLCNJRSA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705963 1274384482 /nfs/dbraw/zinc/38/44/82/1274384482.db2.gz IHWAKCRTONYPCN-RBUKOAKNSA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705963 1274384487 /nfs/dbraw/zinc/38/44/87/1274384487.db2.gz IHWAKCRTONYPCN-RBUKOAKNSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CCC1 ZINC001035723572 1274410914 /nfs/dbraw/zinc/41/09/14/1274410914.db2.gz KBBZLEUSFURISW-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CCc3cccs3)C2)CC1)N(C)C ZINC001035732046 1274420927 /nfs/dbraw/zinc/42/09/27/1274420927.db2.gz SPNRVCREIPVPNP-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001035799546 1274490496 /nfs/dbraw/zinc/49/04/96/1274490496.db2.gz YUIIFGYAGKHXKW-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4=CCCCC4)C3)CC2)C1 ZINC001035795143 1274493517 /nfs/dbraw/zinc/49/35/17/1274493517.db2.gz QKTSHOUYERCUOL-GOSISDBHSA-N 1 3 345.531 2.753 20 0 EFADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035796464 1274494258 /nfs/dbraw/zinc/49/42/58/1274494258.db2.gz DRGIFKAXUIKZKB-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(C[NH+](CC4CCCC4)C3)CC2)C1 ZINC001035797803 1274495556 /nfs/dbraw/zinc/49/55/56/1274495556.db2.gz IJUSFOMIVLKNDM-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1 ZINC001035798900 1274497459 /nfs/dbraw/zinc/49/74/59/1274497459.db2.gz RRUUYJOBFKUOCF-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035820722 1274516645 /nfs/dbraw/zinc/51/66/45/1274516645.db2.gz ITPJOKMQMQKWCK-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109652619 1274521491 /nfs/dbraw/zinc/52/14/91/1274521491.db2.gz BZDPDZMMDUPERV-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)cc1 ZINC001109653256 1274522119 /nfs/dbraw/zinc/52/21/19/1274522119.db2.gz QTUYKRCUKGCIRA-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1 ZINC001109932814 1274850153 /nfs/dbraw/zinc/85/01/53/1274850153.db2.gz UQGSGJSMALTSQU-SQNIBIBYSA-N 1 3 349.544 2.744 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCc1ccsc1 ZINC001109932814 1274850163 /nfs/dbraw/zinc/85/01/63/1274850163.db2.gz UQGSGJSMALTSQU-SQNIBIBYSA-N 1 3 349.544 2.744 20 0 EFADHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110005767 1274973743 /nfs/dbraw/zinc/97/37/43/1274973743.db2.gz BOYHRGVNIDJMBJ-QYZOEREBSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001036052842 1274976504 /nfs/dbraw/zinc/97/65/04/1274976504.db2.gz CDWPLSDGCAYKRA-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055437 1274980804 /nfs/dbraw/zinc/98/08/04/1274980804.db2.gz PCEMZRYZLXINEZ-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001036055100 1274980839 /nfs/dbraw/zinc/98/08/39/1274980839.db2.gz NJPONXIOGMCTDN-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036059216 1274987394 /nfs/dbraw/zinc/98/73/94/1274987394.db2.gz DEEXNQDSCJGFSB-VQIMIIECSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCc1cccs1 ZINC001036063670 1274994019 /nfs/dbraw/zinc/99/40/19/1274994019.db2.gz KMZKBQVJINTUSS-MAUKXSAKSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC001036063674 1274994378 /nfs/dbraw/zinc/99/43/78/1274994378.db2.gz KMZKBQVJINTUSS-YJBOKZPZSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036065303 1275016810 /nfs/dbraw/zinc/01/68/10/1275016810.db2.gz OGMJJGCIUCDDMG-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036065301 1275017549 /nfs/dbraw/zinc/01/75/49/1275017549.db2.gz OGMJJGCIUCDDMG-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccsc2)C1 ZINC001112567732 1275219906 /nfs/dbraw/zinc/21/99/06/1275219906.db2.gz FPHROOHWAQGSAS-HKUYNNGSSA-N 1 3 349.544 2.808 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1 ZINC001112567822 1275222071 /nfs/dbraw/zinc/22/20/71/1275222071.db2.gz KFNSMGDXRIDZRF-HKUYNNGSSA-N 1 3 341.515 2.686 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001036204877 1275223528 /nfs/dbraw/zinc/22/35/28/1275223528.db2.gz LLFSDICMFDIMJP-CRAIPNDOSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccccc1Cl ZINC001036206171 1275225006 /nfs/dbraw/zinc/22/50/06/1275225006.db2.gz PLLYQWXAYJSFRL-CXAGYDPISA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036191927 1275249232 /nfs/dbraw/zinc/24/92/32/1275249232.db2.gz FYTJPLZKNVWKLA-LPHOPBHVSA-N 1 3 340.471 2.596 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)CC1 ZINC001036225073 1275253153 /nfs/dbraw/zinc/25/31/53/1275253153.db2.gz MMNTUFKYSJVVCA-FUHWJXTLSA-N 1 3 349.544 2.807 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036223068 1275292609 /nfs/dbraw/zinc/29/26/09/1275292609.db2.gz DOTVQFCRQITYJZ-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001036301576 1275381694 /nfs/dbraw/zinc/38/16/94/1275381694.db2.gz GANOSSHBMASPLQ-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CC1CC1 ZINC001036306774 1275427287 /nfs/dbraw/zinc/42/72/87/1275427287.db2.gz YOWHYPZZYMBPRK-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036307225 1275428612 /nfs/dbraw/zinc/42/86/12/1275428612.db2.gz ZKTLYCMONOWCNV-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC(C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786782555 1275527337 /nfs/dbraw/zinc/52/73/37/1275527337.db2.gz GYKCLAASYNZECA-QGZVFWFLSA-N 1 3 344.503 2.989 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786837678 1275539505 /nfs/dbraw/zinc/53/95/05/1275539505.db2.gz SJEORMSDLOORHQ-LESCRADOSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786837681 1275539641 /nfs/dbraw/zinc/53/96/41/1275539641.db2.gz SJEORMSDLOORHQ-YXJHDRRASA-N 1 3 330.476 2.740 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408805 1275550908 /nfs/dbraw/zinc/55/09/08/1275550908.db2.gz GROSVETTWFLIGY-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036416400 1275564599 /nfs/dbraw/zinc/56/45/99/1275564599.db2.gz ULNOGGDFLLUMQJ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036448934 1275608923 /nfs/dbraw/zinc/60/89/23/1275608923.db2.gz CKQNWEOLPJRBMY-NVXWUHKLSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CN1CCCC1 ZINC000746650633 1275708250 /nfs/dbraw/zinc/70/82/50/1275708250.db2.gz DJYPXOYLGRSNII-MRXNPFEDSA-N 1 3 341.293 2.728 20 0 EFADHO CC[N@H+](Cc1cccc(Br)c1)C[C@@H](O)CN1CCCC1 ZINC000746650633 1275708255 /nfs/dbraw/zinc/70/82/55/1275708255.db2.gz DJYPXOYLGRSNII-MRXNPFEDSA-N 1 3 341.293 2.728 20 0 EFADHO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CN1CCCC1 ZINC000746650632 1275708678 /nfs/dbraw/zinc/70/86/78/1275708678.db2.gz DJYPXOYLGRSNII-INIZCTEOSA-N 1 3 341.293 2.728 20 0 EFADHO CC[N@H+](Cc1cccc(Br)c1)C[C@H](O)CN1CCCC1 ZINC000746650632 1275708684 /nfs/dbraw/zinc/70/86/84/1275708684.db2.gz DJYPXOYLGRSNII-INIZCTEOSA-N 1 3 341.293 2.728 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036450600 1275732451 /nfs/dbraw/zinc/73/24/51/1275732451.db2.gz OKFSCYXORXFFLO-GOEBONIOSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001036451809 1275735250 /nfs/dbraw/zinc/73/52/50/1275735250.db2.gz QCQQMGNWTGUAHT-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135975844 1276274404 /nfs/dbraw/zinc/27/44/04/1276274404.db2.gz DKFZVMBGNNFCPW-IRXDYDNUSA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135975979 1276274598 /nfs/dbraw/zinc/27/45/98/1276274598.db2.gz FWOOJNZZFVUEIK-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135976508 1276275058 /nfs/dbraw/zinc/27/50/58/1276275058.db2.gz KNEZBOQWFXNXES-HZPDHXFCSA-N 1 3 337.483 2.871 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135976531 1276275063 /nfs/dbraw/zinc/27/50/63/1276275063.db2.gz KVGNQFKRPYACOL-IPASSIEDSA-N 1 3 331.504 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135976974 1276276002 /nfs/dbraw/zinc/27/60/02/1276276002.db2.gz OXCJMEDGVNROBC-DLBZAZTESA-N 1 3 348.535 2.920 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135977648 1276276140 /nfs/dbraw/zinc/27/61/40/1276276140.db2.gz WXHZYKYFCNLAAX-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)NCCCN[C@@H](C)c1cnccn1 ZINC001170877473 1276307791 /nfs/dbraw/zinc/30/77/91/1276307791.db2.gz VSPOQGZCTPVQID-KRWDZBQOSA-N 1 3 349.523 2.536 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001136030878 1276339695 /nfs/dbraw/zinc/33/96/95/1276339695.db2.gz DJMWLWRROAAOOU-CVEARBPZSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001136031198 1276339717 /nfs/dbraw/zinc/33/97/17/1276339717.db2.gz HFVFHRQSADDWQY-KBPBESRZSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001136031544 1276339831 /nfs/dbraw/zinc/33/98/31/1276339831.db2.gz MSOXYKDHJRYHHC-HZPDHXFCSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001136031859 1276339891 /nfs/dbraw/zinc/33/98/91/1276339891.db2.gz RLPCSBVDFIJZFN-HOTGVXAUSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001136031418 1276340003 /nfs/dbraw/zinc/34/00/03/1276340003.db2.gz KVOZTRWKWLDFNH-KBPBESRZSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001136031635 1276340520 /nfs/dbraw/zinc/34/05/20/1276340520.db2.gz NQMSUWHPROOBHR-GJZGRUSLSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001136031421 1276340542 /nfs/dbraw/zinc/34/05/42/1276340542.db2.gz KVOZTRWKWLDFNH-ZIAGYGMSSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001136031370 1276340572 /nfs/dbraw/zinc/34/05/72/1276340572.db2.gz JMVWQXQAHCAVLO-LWALAHDXSA-N 1 3 340.471 2.847 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001136032053 1276341124 /nfs/dbraw/zinc/34/11/24/1276341124.db2.gz VGOFFGCTSVQRPH-LSDHHAIUSA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001136032221 1276341946 /nfs/dbraw/zinc/34/19/46/1276341946.db2.gz XQPITSKFEKUNEG-VXGBXAGGSA-N 1 3 348.413 2.866 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001136035203 1276349728 /nfs/dbraw/zinc/34/97/28/1276349728.db2.gz LJULRNGNMJFNID-JKSUJKDBSA-N 1 3 342.487 2.766 20 0 EFADHO N[C@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929726 1276361943 /nfs/dbraw/zinc/36/19/43/1276361943.db2.gz SAKOQUQGPULONX-RRFJBIMHSA-N 1 3 327.266 2.732 20 0 EFADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000817895182 1276363948 /nfs/dbraw/zinc/36/39/48/1276363948.db2.gz SBWNLOKQELGQAH-UAFMIMERSA-N 1 3 348.487 2.638 20 0 EFADHO O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccsc1 ZINC000817896635 1276364076 /nfs/dbraw/zinc/36/40/76/1276364076.db2.gz MOMBJPZUSZKUFK-NUJGCVRESA-N 1 3 330.453 2.627 20 0 EFADHO COc1cc(OC)cc([C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000817895183 1276364249 /nfs/dbraw/zinc/36/42/49/1276364249.db2.gz SBWNLOKQELGQAH-VNTMZGSJSA-N 1 3 348.487 2.638 20 0 EFADHO COc1ccc([C@H](NC[C@H](C)N2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817913124 1276375011 /nfs/dbraw/zinc/37/50/11/1276375011.db2.gz FHXGNNIDGXQRQJ-DBVUQKKJSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCNCC1 ZINC000817935118 1276381388 /nfs/dbraw/zinc/38/13/88/1276381388.db2.gz GXCFILSUCKVVDI-OAHLLOKOSA-N 1 3 343.471 2.573 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817935935 1276382982 /nfs/dbraw/zinc/38/29/82/1276382982.db2.gz PZJSWKUKUICZNE-QLFBSQMISA-N 1 3 327.266 2.732 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCc1ccc(CC[NH3+])cc1 ZINC000817947972 1276395155 /nfs/dbraw/zinc/39/51/55/1276395155.db2.gz HOBWSJNVWDVFHU-HNNXBMFYSA-N 1 3 342.439 2.590 20 0 EFADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000817949477 1276395341 /nfs/dbraw/zinc/39/53/41/1276395341.db2.gz RMSBRCCSBUTQAU-HNNXBMFYSA-N 1 3 325.456 2.740 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931399 1276405970 /nfs/dbraw/zinc/40/59/70/1276405970.db2.gz SAKOQUQGPULONX-ILXRZTDVSA-N 1 3 327.266 2.732 20 0 EFADHO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cn1cccn1 ZINC000817970068 1276412926 /nfs/dbraw/zinc/41/29/26/1276412926.db2.gz KOFWEQYVFGBFMF-JCGIZDLHSA-N 1 3 328.460 2.861 20 0 EFADHO Cc1cc(F)ccc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000817972958 1276416324 /nfs/dbraw/zinc/41/63/24/1276416324.db2.gz QNBJQGVELDCBHU-SWLSCSKDSA-N 1 3 333.373 2.621 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086819923 1276500713 /nfs/dbraw/zinc/50/07/13/1276500713.db2.gz HHFYFNUTPWDTLI-IPMKNSEASA-N 1 3 335.536 2.924 20 0 EFADHO Cc1nn(C)c2nc(Cl)c(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)cc12 ZINC000818431941 1276515822 /nfs/dbraw/zinc/51/58/22/1276515822.db2.gz XELUDJKTAFQPSY-LBPRGKRZSA-N 1 3 347.894 2.894 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1Cl ZINC000818966757 1276553348 /nfs/dbraw/zinc/55/33/48/1276553348.db2.gz ODAYVGWMCUQBBH-KRWDZBQOSA-N 1 3 326.843 2.977 20 0 EFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000818945341 1276555088 /nfs/dbraw/zinc/55/50/88/1276555088.db2.gz CGGCNLBCLDRQIQ-MRXNPFEDSA-N 1 3 328.378 2.955 20 0 EFADHO CCCCN1CCC([NH2+]C[C@H](O)c2cc(OC)ccc2OC)CC1 ZINC000819042817 1276578916 /nfs/dbraw/zinc/57/89/16/1276578916.db2.gz MIHUADWQTWGUKF-SFHVURJKSA-N 1 3 336.476 2.591 20 0 EFADHO O[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000819061304 1276581341 /nfs/dbraw/zinc/58/13/41/1276581341.db2.gz KQEKRTAJFKOLMX-MSOLQXFVSA-N 1 3 338.879 2.606 20 0 EFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000819059507 1276586865 /nfs/dbraw/zinc/58/68/65/1276586865.db2.gz CWALGOGEEIKWCQ-MAUKXSAKSA-N 1 3 338.879 2.606 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819132590 1276622601 /nfs/dbraw/zinc/62/26/01/1276622601.db2.gz FSJLUZMPQKKYMO-XJKCOSOUSA-N 1 3 341.293 2.945 20 0 EFADHO CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000711339188 1276671213 /nfs/dbraw/zinc/67/12/13/1276671213.db2.gz KJEJTZZTYOJOMA-SBHAEUEKSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCN1Cc1ccccc1 ZINC000711339709 1276674780 /nfs/dbraw/zinc/67/47/80/1276674780.db2.gz MQIXWNANGAWIKI-QFUCXCTJSA-N 1 3 341.499 2.642 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@H](O)CNC[C@]1(C)CC1(Cl)Cl ZINC000819346371 1276736717 /nfs/dbraw/zinc/73/67/17/1276736717.db2.gz FPYTYKJQVHKJJQ-CABCVRRESA-N 1 3 331.287 2.653 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@H](O)CNC[C@]1(C)CC1(Cl)Cl ZINC000819346371 1276736726 /nfs/dbraw/zinc/73/67/26/1276736726.db2.gz FPYTYKJQVHKJJQ-CABCVRRESA-N 1 3 331.287 2.653 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@]1(C)CC1(Cl)Cl ZINC000819346377 1276736794 /nfs/dbraw/zinc/73/67/94/1276736794.db2.gz FPYTYKJQVHKJJQ-LSDHHAIUSA-N 1 3 331.287 2.653 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@]1(C)CC1(Cl)Cl ZINC000819346377 1276736801 /nfs/dbraw/zinc/73/68/01/1276736801.db2.gz FPYTYKJQVHKJJQ-LSDHHAIUSA-N 1 3 331.287 2.653 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001168762410 1277015704 /nfs/dbraw/zinc/01/57/04/1277015704.db2.gz AQBKJZUTERIXCG-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO C[C@@H](CCCCNC/C(Cl)=C\Cl)NC(=O)CCC[NH+](C)C ZINC001174961049 1287269690 /nfs/dbraw/zinc/26/96/90/1287269690.db2.gz JMNUYAOSZURQJL-UQRISPGASA-N 1 3 338.323 2.912 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000790126033 1277294527 /nfs/dbraw/zinc/29/45/27/1277294527.db2.gz BXNXIXYUXCNCSM-VQIMIIECSA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000790126033 1277294537 /nfs/dbraw/zinc/29/45/37/1277294537.db2.gz BXNXIXYUXCNCSM-VQIMIIECSA-N 1 3 346.519 2.886 20 0 EFADHO CC(C)C[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988232 1277303562 /nfs/dbraw/zinc/30/35/62/1277303562.db2.gz TXVYWLQCZOFYBN-IBGZPJMESA-N 1 3 341.515 2.778 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001005989982 1277312498 /nfs/dbraw/zinc/31/24/98/1277312498.db2.gz BEMDFXFNUQYMLI-KRWDZBQOSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001005990010 1277313483 /nfs/dbraw/zinc/31/34/83/1277313483.db2.gz BSVJZZOBIURHME-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCc2ccccc2)CC1 ZINC001005992090 1277324743 /nfs/dbraw/zinc/32/47/43/1277324743.db2.gz SJVHHGHLHJPVNO-GOSISDBHSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001005992328 1277327203 /nfs/dbraw/zinc/32/72/03/1277327203.db2.gz SZIJNJGTJBVJSQ-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)CN2CCC[C@@H]2C)CC1 ZINC001005995968 1277365012 /nfs/dbraw/zinc/36/50/12/1277365012.db2.gz KEXISUMREJFVDR-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001005996678 1277373450 /nfs/dbraw/zinc/37/34/50/1277373450.db2.gz LPJHGHNAQDQIAI-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCC3CCCC3)CC2)C1=O ZINC001273168460 1277401261 /nfs/dbraw/zinc/40/12/61/1277401261.db2.gz YMTCPEPMAJESTG-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCC3CCCC3)CC2)C1=O ZINC001273168460 1277401265 /nfs/dbraw/zinc/40/12/65/1277401265.db2.gz YMTCPEPMAJESTG-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000923262810 1277427404 /nfs/dbraw/zinc/42/74/04/1277427404.db2.gz XCGOGNSKLGCSDH-ZCNNSNEGSA-N 1 3 341.499 2.805 20 0 EFADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000923262810 1277427409 /nfs/dbraw/zinc/42/74/09/1277427409.db2.gz XCGOGNSKLGCSDH-ZCNNSNEGSA-N 1 3 341.499 2.805 20 0 EFADHO C[NH2+]C[C@@H]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000923290439 1277506436 /nfs/dbraw/zinc/50/64/36/1277506436.db2.gz NLAMNHHIGCFCKF-DLBZAZTESA-N 1 3 337.467 2.697 20 0 EFADHO C[C@](C[NH3+])(NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000923296193 1277524496 /nfs/dbraw/zinc/52/44/96/1277524496.db2.gz OQAMHVNNHKYLTA-IIBYNOLFSA-N 1 3 337.467 2.872 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296226 1277524671 /nfs/dbraw/zinc/52/46/71/1277524671.db2.gz PRCFKSAZLIJQST-XLIONFOSSA-N 1 3 336.520 2.995 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000923295924 1277524877 /nfs/dbraw/zinc/52/48/77/1277524877.db2.gz KIZFNMRNNDROSC-WFASDCNBSA-N 1 3 335.275 2.696 20 0 EFADHO C[C@H](CCCCNCc1c(F)cccc1F)NC(=O)CC[NH+](C)C ZINC001175049688 1287308265 /nfs/dbraw/zinc/30/82/65/1287308265.db2.gz XEAQNGNWQDVKJP-CQSZACIVSA-N 1 3 341.446 2.681 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001091025947 1279352164 /nfs/dbraw/zinc/35/21/64/1279352164.db2.gz ASPCBDHIJCXLLK-KVZIAJEVSA-N 1 3 347.478 2.683 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001091058158 1279472819 /nfs/dbraw/zinc/47/28/19/1279472819.db2.gz LPKYASOSDUAGMK-NKELODKYSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001091059046 1279483096 /nfs/dbraw/zinc/48/30/96/1279483096.db2.gz AHORRUWPRMCFHJ-NKELODKYSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2C)C1 ZINC001091059642 1279484684 /nfs/dbraw/zinc/48/46/84/1279484684.db2.gz UDEKGMAOQAEFEO-LYBXBRPPSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H](C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C)OC ZINC001175295352 1287376435 /nfs/dbraw/zinc/37/64/35/1287376435.db2.gz FMQRCLOVRUIFSV-IAGOWNOFSA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@H](C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C)OC ZINC001175295351 1287376854 /nfs/dbraw/zinc/37/68/54/1287376854.db2.gz FMQRCLOVRUIFSV-DLBZAZTESA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175296473 1287378457 /nfs/dbraw/zinc/37/84/57/1287378457.db2.gz PPTKSAGJWIQDHK-JKSUJKDBSA-N 1 3 331.520 2.977 20 0 EFADHO CC(C)[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263027 1287383867 /nfs/dbraw/zinc/38/38/67/1287383867.db2.gz NHCYGPUMAMDCNS-CRAIPNDOSA-N 1 3 329.504 2.872 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262422 1287384293 /nfs/dbraw/zinc/38/42/93/1287384293.db2.gz GUULAHOWOMVQQV-HOTGVXAUSA-N 1 3 337.533 2.855 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265052 1287385759 /nfs/dbraw/zinc/38/57/59/1287385759.db2.gz XDAAXABLPMSWIL-IAGOWNOFSA-N 1 3 349.494 2.932 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2scnc2c1 ZINC001144736992 1280067432 /nfs/dbraw/zinc/06/74/32/1280067432.db2.gz JJFGSQJSEMRVOD-DLBZAZTESA-N 1 3 330.501 2.507 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2scnc2c1 ZINC001144736992 1280067443 /nfs/dbraw/zinc/06/74/43/1280067443.db2.gz JJFGSQJSEMRVOD-DLBZAZTESA-N 1 3 330.501 2.507 20 0 EFADHO Cc1ccc(N2CCC[C@H](N3C[C@@H]4CCC[C@]4(C[NH3+])C3)C2=O)cc1 ZINC000846224682 1280075839 /nfs/dbraw/zinc/07/58/39/1280075839.db2.gz YHNKBMDFMQYNPX-QRFRQXIXSA-N 1 3 327.472 2.551 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001175316680 1287399219 /nfs/dbraw/zinc/39/92/19/1287399219.db2.gz LEAUNQVLUKEWBN-HPCSDQSLSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1scnc1C)N(C)C ZINC001175317844 1287400153 /nfs/dbraw/zinc/40/01/53/1287400153.db2.gz RRHMSJJLTDXBIM-ZFWWWQNUSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001129422064 1280184026 /nfs/dbraw/zinc/18/40/26/1280184026.db2.gz DSWWEJMRFKMPJH-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H](C)c1cccc(F)c1 ZINC001129422064 1280184034 /nfs/dbraw/zinc/18/40/34/1280184034.db2.gz DSWWEJMRFKMPJH-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO COCCCCC[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235255 1280281942 /nfs/dbraw/zinc/28/19/42/1280281942.db2.gz GOAHRSGRTWBBDP-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235643 1280285363 /nfs/dbraw/zinc/28/53/63/1280285363.db2.gz IBKIPLZPKCWMBT-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001171237144 1280301895 /nfs/dbraw/zinc/30/18/95/1280301895.db2.gz PGHPXDHPSKVDCU-HNNXBMFYSA-N 1 3 337.533 2.997 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091318971 1280317929 /nfs/dbraw/zinc/31/79/29/1280317929.db2.gz WZDPEJXCFAFRBD-CTWPCTMYSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)C1(N(C)C)CCC1 ZINC001171237525 1280319108 /nfs/dbraw/zinc/31/91/08/1280319108.db2.gz QRLRQZTXBOWCRD-INIZCTEOSA-N 1 3 329.504 2.875 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001129856078 1280354502 /nfs/dbraw/zinc/35/45/02/1280354502.db2.gz NFMOFMSHJNUGSE-CQSZACIVSA-N 1 3 341.858 2.559 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001129856078 1280354509 /nfs/dbraw/zinc/35/45/09/1280354509.db2.gz NFMOFMSHJNUGSE-CQSZACIVSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001129947142 1280381593 /nfs/dbraw/zinc/38/15/93/1280381593.db2.gz LLZDHFVPQWEOQT-IRXDYDNUSA-N 1 3 337.895 2.619 20 0 EFADHO [NH3+]CCOc1cccc(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000846664710 1280382233 /nfs/dbraw/zinc/38/22/33/1280382233.db2.gz AMWVZIAZDXCBKG-KGLIPLIRSA-N 1 3 346.349 2.710 20 0 EFADHO Cc1ccc(CNC2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001091364874 1280409392 /nfs/dbraw/zinc/40/93/92/1280409392.db2.gz QKTZGDJNZJOEET-ARWYELJZSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CNC2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001091364874 1280409398 /nfs/dbraw/zinc/40/93/98/1280409398.db2.gz QKTZGDJNZJOEET-ARWYELJZSA-N 1 3 349.906 2.585 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246993 1280432493 /nfs/dbraw/zinc/43/24/93/1280432493.db2.gz JHSHBZSJDWEIJF-GXTWGEPZSA-N 1 3 337.430 2.544 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248343 1280440508 /nfs/dbraw/zinc/44/05/08/1280440508.db2.gz SWHGCWYOZRAQED-PBHICJAKSA-N 1 3 337.533 2.853 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171248405 1280441941 /nfs/dbraw/zinc/44/19/41/1280441941.db2.gz UNXQBFFTPCZYMC-HNAYVOBHSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248403 1280442315 /nfs/dbraw/zinc/44/23/15/1280442315.db2.gz UNXQBFFTPCZYMC-BEFAXECRSA-N 1 3 349.494 2.931 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186490 1280555051 /nfs/dbraw/zinc/55/50/51/1280555051.db2.gz HNQKTEJPTBSCRM-SJLPKXTDSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186490 1280555060 /nfs/dbraw/zinc/55/50/60/1280555060.db2.gz HNQKTEJPTBSCRM-SJLPKXTDSA-N 1 3 341.455 2.656 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN(C)C1CCC1 ZINC001171254493 1280561658 /nfs/dbraw/zinc/56/16/58/1280561658.db2.gz SIMATQURNOLFNU-CYBMUJFWSA-N 1 3 337.430 2.688 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC001130204791 1280573862 /nfs/dbraw/zinc/57/38/62/1280573862.db2.gz ACRYYANPKUSOEW-HZPDHXFCSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001171259952 1280684339 /nfs/dbraw/zinc/68/43/39/1280684339.db2.gz BSSJPWIZONVXKD-KRWDZBQOSA-N 1 3 331.504 2.936 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001130425269 1280857170 /nfs/dbraw/zinc/85/71/70/1280857170.db2.gz QUPBSYTUHZLTFB-CYBMUJFWSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001130425269 1280857177 /nfs/dbraw/zinc/85/71/77/1280857177.db2.gz QUPBSYTUHZLTFB-CYBMUJFWSA-N 1 3 325.884 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001130426774 1280860124 /nfs/dbraw/zinc/86/01/24/1280860124.db2.gz BQADAUNHHKLDLS-QGZVFWFLSA-N 1 3 331.504 2.543 20 0 EFADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(F)cc1F ZINC001130426797 1280860193 /nfs/dbraw/zinc/86/01/93/1280860193.db2.gz CGCZNGSSXDXJOW-MRXNPFEDSA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(F)cc1F ZINC001130426797 1280860201 /nfs/dbraw/zinc/86/02/01/1280860201.db2.gz CGCZNGSSXDXJOW-MRXNPFEDSA-N 1 3 341.446 2.852 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCc1ccc2ccccc2c1 ZINC001130428004 1280862217 /nfs/dbraw/zinc/86/22/17/1280862217.db2.gz YKPHIONEXQYYNC-UHFFFAOYSA-N 1 3 341.499 2.818 20 0 EFADHO CC(C)OCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001146583934 1280940719 /nfs/dbraw/zinc/94/07/19/1280940719.db2.gz PZZFBLBOZOWEKO-IRXDYDNUSA-N 1 3 349.519 2.660 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001146590931 1280945867 /nfs/dbraw/zinc/94/58/67/1280945867.db2.gz DVJTVKPOGUTEBL-CVEARBPZSA-N 1 3 337.483 2.581 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806149721 1280991575 /nfs/dbraw/zinc/99/15/75/1280991575.db2.gz XEZGQQOBVMSXPG-BHYGNILZSA-N 1 3 335.879 2.690 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001146711742 1281008314 /nfs/dbraw/zinc/00/83/14/1281008314.db2.gz VWMKVSKUFOYTGF-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001146711742 1281008322 /nfs/dbraw/zinc/00/83/22/1281008322.db2.gz VWMKVSKUFOYTGF-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO C[C@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1F ZINC001130556524 1281010911 /nfs/dbraw/zinc/01/09/11/1281010911.db2.gz LQNRTKSPSRAZIS-HNNXBMFYSA-N 1 3 344.434 2.514 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001130708883 1281123150 /nfs/dbraw/zinc/12/31/50/1281123150.db2.gz LQXOAUFUVSOQRC-CQSZACIVSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001130708883 1281123156 /nfs/dbraw/zinc/12/31/56/1281123156.db2.gz LQXOAUFUVSOQRC-CQSZACIVSA-N 1 3 343.924 2.728 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C)nc1C ZINC001147357966 1281153628 /nfs/dbraw/zinc/15/36/28/1281153628.db2.gz ATDTZOQHYWPZIO-LJQANCHMSA-N 1 3 346.519 2.559 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(C)nc1C ZINC001147357966 1281153634 /nfs/dbraw/zinc/15/36/34/1281153634.db2.gz ATDTZOQHYWPZIO-LJQANCHMSA-N 1 3 346.519 2.559 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(C)nc1C ZINC001147357965 1281153975 /nfs/dbraw/zinc/15/39/75/1281153975.db2.gz ATDTZOQHYWPZIO-IBGZPJMESA-N 1 3 346.519 2.559 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(C)nc1C ZINC001147357965 1281153981 /nfs/dbraw/zinc/15/39/81/1281153981.db2.gz ATDTZOQHYWPZIO-IBGZPJMESA-N 1 3 346.519 2.559 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001147723853 1281246516 /nfs/dbraw/zinc/24/65/16/1281246516.db2.gz DUSIDDQCTPYBIF-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CC[N@@H+](CCCC(C)(C)C)C3)CCC1 ZINC001147723853 1281246525 /nfs/dbraw/zinc/24/65/25/1281246525.db2.gz DUSIDDQCTPYBIF-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147725005 1281247413 /nfs/dbraw/zinc/24/74/13/1281247413.db2.gz PYERCEUCRMWCLT-VOTSOKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147725005 1281247423 /nfs/dbraw/zinc/24/74/23/1281247423.db2.gz PYERCEUCRMWCLT-VOTSOKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724991 1281248034 /nfs/dbraw/zinc/24/80/34/1281248034.db2.gz PMDUOENWHGNOCC-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724991 1281248041 /nfs/dbraw/zinc/24/80/41/1281248041.db2.gz PMDUOENWHGNOCC-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)C1CC1 ZINC001147724988 1281248416 /nfs/dbraw/zinc/24/84/16/1281248416.db2.gz PLAJUUFKFVDVDY-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)C1CC1 ZINC001147724988 1281248420 /nfs/dbraw/zinc/24/84/20/1281248420.db2.gz PLAJUUFKFVDVDY-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147811765 1281275830 /nfs/dbraw/zinc/27/58/30/1281275830.db2.gz RIUPAGYBFNHYHP-UHFFFAOYSA-N 1 3 335.517 2.513 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001147811765 1281275838 /nfs/dbraw/zinc/27/58/38/1281275838.db2.gz RIUPAGYBFNHYHP-UHFFFAOYSA-N 1 3 335.517 2.513 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001147826230 1281304648 /nfs/dbraw/zinc/30/46/48/1281304648.db2.gz SQEVZLUPOWKJJG-IAGOWNOFSA-N 1 3 343.471 2.759 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001147826247 1281304679 /nfs/dbraw/zinc/30/46/79/1281304679.db2.gz SYDHBEAPUQHGKM-OLZOCXBDSA-N 1 3 343.924 2.728 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001147835798 1281311573 /nfs/dbraw/zinc/31/15/73/1281311573.db2.gz MVMDSGOHTAYFHB-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001147835798 1281311581 /nfs/dbraw/zinc/31/15/81/1281311581.db2.gz MVMDSGOHTAYFHB-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170524497 1281316840 /nfs/dbraw/zinc/31/68/40/1281316840.db2.gz NEVCZTXIECFYNS-SJLPKXTDSA-N 1 3 348.462 2.969 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215539 1281455007 /nfs/dbraw/zinc/45/50/07/1281455007.db2.gz ASHHJHUTQWHOIY-UHFFFAOYSA-N 1 3 349.906 2.634 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCN(CCC(F)(F)F)C2)[NH+](CC)CC ZINC001148285437 1281494487 /nfs/dbraw/zinc/49/44/87/1281494487.db2.gz RMDKPHUONAWLJT-CQSZACIVSA-N 1 3 349.441 2.594 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292538 1281496161 /nfs/dbraw/zinc/49/61/61/1281496161.db2.gz KJGUZVLTLOVDHM-VOTSOKGWSA-N 1 3 347.547 2.999 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292538 1281496165 /nfs/dbraw/zinc/49/61/65/1281496165.db2.gz KJGUZVLTLOVDHM-VOTSOKGWSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292315 1281496925 /nfs/dbraw/zinc/49/69/25/1281496925.db2.gz IRAKMTFMCJYUGJ-ROUUACIJSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292315 1281496929 /nfs/dbraw/zinc/49/69/29/1281496929.db2.gz IRAKMTFMCJYUGJ-ROUUACIJSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(CN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001148315067 1281513876 /nfs/dbraw/zinc/51/38/76/1281513876.db2.gz AOOGDDDAJSWXRC-UHFFFAOYSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@H+]2CCC3(CN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001148315067 1281513881 /nfs/dbraw/zinc/51/38/81/1281513881.db2.gz AOOGDDDAJSWXRC-UHFFFAOYSA-N 1 3 335.536 2.545 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2)CC(C)(C)C ZINC001148315828 1281515982 /nfs/dbraw/zinc/51/59/82/1281515982.db2.gz VVZWCGQMPIMLIO-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2)CC(C)(C)C ZINC001148315828 1281515994 /nfs/dbraw/zinc/51/59/94/1281515994.db2.gz VVZWCGQMPIMLIO-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)cc(C)c1)C2 ZINC001148457929 1281557330 /nfs/dbraw/zinc/55/73/30/1281557330.db2.gz FAWRWCJRXKIJCS-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)cc(C)c1)C2 ZINC001148457929 1281557340 /nfs/dbraw/zinc/55/73/40/1281557340.db2.gz FAWRWCJRXKIJCS-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)sc1C)C2 ZINC001148457881 1281557867 /nfs/dbraw/zinc/55/78/67/1281557867.db2.gz CVLQDEDUWWNASL-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)sc1C)C2 ZINC001148457881 1281557878 /nfs/dbraw/zinc/55/78/78/1281557878.db2.gz CVLQDEDUWWNASL-UHFFFAOYSA-N 1 3 349.544 2.741 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001148458069 1281558484 /nfs/dbraw/zinc/55/84/84/1281558484.db2.gz HNXPCWNSJXDCIZ-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001148458069 1281558489 /nfs/dbraw/zinc/55/84/89/1281558489.db2.gz HNXPCWNSJXDCIZ-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148458724 1281560068 /nfs/dbraw/zinc/56/00/68/1281560068.db2.gz VFEDVJDTFBHNDE-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccc(F)cc1)C2 ZINC001148458724 1281560073 /nfs/dbraw/zinc/56/00/73/1281560073.db2.gz VFEDVJDTFBHNDE-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001148458261 1281560152 /nfs/dbraw/zinc/56/01/52/1281560152.db2.gz LSGHJBXNPUNGHM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001148458261 1281560158 /nfs/dbraw/zinc/56/01/58/1281560158.db2.gz LSGHJBXNPUNGHM-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C)C2 ZINC001148646557 1281670405 /nfs/dbraw/zinc/67/04/05/1281670405.db2.gz BRMSVECOMIFEPB-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C)C2 ZINC001148646557 1281670416 /nfs/dbraw/zinc/67/04/16/1281670416.db2.gz BRMSVECOMIFEPB-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)ccc1C)C2 ZINC001148647022 1281670672 /nfs/dbraw/zinc/67/06/72/1281670672.db2.gz KQFNVEUQWOWPGN-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)ccc1C)C2 ZINC001148647022 1281670682 /nfs/dbraw/zinc/67/06/82/1281670682.db2.gz KQFNVEUQWOWPGN-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001148643237 1281670887 /nfs/dbraw/zinc/67/08/87/1281670887.db2.gz VWQFTZZAMUDCAS-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1C)C2 ZINC001148647340 1281671528 /nfs/dbraw/zinc/67/15/28/1281671528.db2.gz SPEFECCKJCQGRN-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1C)C2 ZINC001148647340 1281671537 /nfs/dbraw/zinc/67/15/37/1281671537.db2.gz SPEFECCKJCQGRN-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCc1ccsc1)C2 ZINC001148651890 1281674959 /nfs/dbraw/zinc/67/49/59/1281674959.db2.gz QQYLJHDBZFBONJ-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCc1ccsc1)C2 ZINC001148651890 1281674972 /nfs/dbraw/zinc/67/49/72/1281674972.db2.gz QQYLJHDBZFBONJ-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)cc1C)C2 ZINC001148651548 1281675451 /nfs/dbraw/zinc/67/54/51/1281675451.db2.gz IZVOWIUHKKCEAD-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)cc1C)C2 ZINC001148651548 1281675460 /nfs/dbraw/zinc/67/54/60/1281675460.db2.gz IZVOWIUHKKCEAD-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(C)c(C)c1)C2 ZINC001148651400 1281675769 /nfs/dbraw/zinc/67/57/69/1281675769.db2.gz FLHMYOAZZIIRPG-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(C)c(C)c1)C2 ZINC001148651400 1281675773 /nfs/dbraw/zinc/67/57/73/1281675773.db2.gz FLHMYOAZZIIRPG-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(CC)cc1)C2 ZINC001148651914 1281675882 /nfs/dbraw/zinc/67/58/82/1281675882.db2.gz RFXOIOZVUPNZKM-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(CC)cc1)C2 ZINC001148651914 1281675888 /nfs/dbraw/zinc/67/58/88/1281675888.db2.gz RFXOIOZVUPNZKM-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738270 1281687012 /nfs/dbraw/zinc/68/70/12/1281687012.db2.gz SOBYQPNNQSDNJU-DYXWJJEUSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738270 1281687020 /nfs/dbraw/zinc/68/70/20/1281687020.db2.gz SOBYQPNNQSDNJU-DYXWJJEUSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738353 1281687048 /nfs/dbraw/zinc/68/70/48/1281687048.db2.gz UZXMHDMVSPPUMQ-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)C1CC1 ZINC001091738353 1281687058 /nfs/dbraw/zinc/68/70/58/1281687058.db2.gz UZXMHDMVSPPUMQ-SBHAEUEKSA-N 1 3 347.547 2.687 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148625945 1281697085 /nfs/dbraw/zinc/69/70/85/1281697085.db2.gz PXWZUAIZOPPHNN-UHFFFAOYSA-N 1 3 335.517 2.514 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091743222 1281728224 /nfs/dbraw/zinc/72/82/24/1281728224.db2.gz MGELYKKYDNLKFN-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1)C1CCC1 ZINC001091743222 1281728229 /nfs/dbraw/zinc/72/82/29/1281728229.db2.gz MGELYKKYDNLKFN-NQIIRXRSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808764228 1281885933 /nfs/dbraw/zinc/88/59/33/1281885933.db2.gz WEYAVLZRMWFJKE-AEFFLSMTSA-N 1 3 341.455 2.981 20 0 EFADHO C[C@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CC1CCC1)CC2 ZINC001086908384 1281909808 /nfs/dbraw/zinc/90/98/08/1281909808.db2.gz ZKVLJKNHOBMXJO-FUHWJXTLSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562005 1281915773 /nfs/dbraw/zinc/91/57/73/1281915773.db2.gz WAIVIBXSHLHGGZ-DYXWJJEUSA-N 1 3 342.483 2.926 20 0 EFADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562005 1281915777 /nfs/dbraw/zinc/91/57/77/1281915777.db2.gz WAIVIBXSHLHGGZ-DYXWJJEUSA-N 1 3 342.483 2.926 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001170562576 1281928358 /nfs/dbraw/zinc/92/83/58/1281928358.db2.gz DXWONBHOMWPPOR-FYQPLNBISA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC001170562576 1281928366 /nfs/dbraw/zinc/92/83/66/1281928366.db2.gz DXWONBHOMWPPOR-FYQPLNBISA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170562577 1281928752 /nfs/dbraw/zinc/92/87/52/1281928752.db2.gz DXWONBHOMWPPOR-WCIQWLHISA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1 ZINC001170562577 1281928761 /nfs/dbraw/zinc/92/87/61/1281928761.db2.gz DXWONBHOMWPPOR-WCIQWLHISA-N 1 3 342.483 2.782 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)C1 ZINC001170562514 1281929007 /nfs/dbraw/zinc/92/90/07/1281929007.db2.gz XZUMESVMBJZSEU-RTBURBONSA-N 1 3 342.483 2.926 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001086942176 1281971344 /nfs/dbraw/zinc/97/13/44/1281971344.db2.gz KRHVYIHHOPCGGB-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942147 1281971868 /nfs/dbraw/zinc/97/18/68/1281971868.db2.gz KBCJFEJRPFSWQQ-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942255 1281972313 /nfs/dbraw/zinc/97/23/13/1281972313.db2.gz MMYKOWXGWYHHGT-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CC1CCCC1)CC2 ZINC001086946043 1281981427 /nfs/dbraw/zinc/98/14/27/1281981427.db2.gz OPBLOBPJMBOCLL-INIZCTEOSA-N 1 3 344.503 2.845 20 0 EFADHO COCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171359505 1282048613 /nfs/dbraw/zinc/04/86/13/1282048613.db2.gz RXQBWYLPYPQRKZ-ROUUACIJSA-N 1 3 343.556 2.654 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171360477 1282050483 /nfs/dbraw/zinc/05/04/83/1282050483.db2.gz ZPQGSDLNGCIBGW-ROUUACIJSA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091780393 1282147427 /nfs/dbraw/zinc/14/74/27/1282147427.db2.gz INZLMBICNDXGAM-GGPKGHCWSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091780393 1282147435 /nfs/dbraw/zinc/14/74/35/1282147435.db2.gz INZLMBICNDXGAM-GGPKGHCWSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985881 1282284032 /nfs/dbraw/zinc/28/40/32/1282284032.db2.gz LUPSEYMGVQTUQO-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091985881 1282284042 /nfs/dbraw/zinc/28/40/42/1282284042.db2.gz LUPSEYMGVQTUQO-SBHAEUEKSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012902 1282339561 /nfs/dbraw/zinc/33/95/61/1282339561.db2.gz DRLFCWCHNARBQW-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012902 1282339570 /nfs/dbraw/zinc/33/95/70/1282339570.db2.gz DRLFCWCHNARBQW-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO Cc1cc(CNCCNC(=O)CC[N@@H+](C)C2CCCCC2)cs1 ZINC001131815838 1282398967 /nfs/dbraw/zinc/39/89/67/1282398967.db2.gz VYCHBVTUFZGWML-UHFFFAOYSA-N 1 3 337.533 2.917 20 0 EFADHO Cc1cc(CNCCNC(=O)CC[N@H+](C)C2CCCCC2)cs1 ZINC001131815838 1282398971 /nfs/dbraw/zinc/39/89/71/1282398971.db2.gz VYCHBVTUFZGWML-UHFFFAOYSA-N 1 3 337.533 2.917 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)Cc1ccccc1 ZINC000809970567 1282662380 /nfs/dbraw/zinc/66/23/80/1282662380.db2.gz DDXDTNXZVWCJIJ-HXUWFJFHSA-N 1 3 349.494 2.837 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)Cc1ccccc1 ZINC000809970567 1282662394 /nfs/dbraw/zinc/66/23/94/1282662394.db2.gz DDXDTNXZVWCJIJ-HXUWFJFHSA-N 1 3 349.494 2.837 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001092657985 1282914411 /nfs/dbraw/zinc/91/44/11/1282914411.db2.gz BFFFSPNIPBBSTC-KBAYOESNSA-N 1 3 349.544 2.807 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C ZINC001092657985 1282914415 /nfs/dbraw/zinc/91/44/15/1282914415.db2.gz BFFFSPNIPBBSTC-KBAYOESNSA-N 1 3 349.544 2.807 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093279 1287606783 /nfs/dbraw/zinc/60/67/83/1287606783.db2.gz KNEFTCMXVBVEPD-WMZOPIPTSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093279 1287606792 /nfs/dbraw/zinc/60/67/92/1287606792.db2.gz KNEFTCMXVBVEPD-WMZOPIPTSA-N 1 3 341.455 2.656 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCOC(C)C)C1 ZINC001132152657 1283051004 /nfs/dbraw/zinc/05/10/04/1283051004.db2.gz GZGHLGFOXWRLTE-IAGOWNOFSA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCOC(C)C)C1 ZINC001132152657 1283051011 /nfs/dbraw/zinc/05/10/11/1283051011.db2.gz GZGHLGFOXWRLTE-IAGOWNOFSA-N 1 3 341.540 2.501 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@@H+]1CCCCCF ZINC001132214205 1283142510 /nfs/dbraw/zinc/14/25/10/1283142510.db2.gz CZTJSAHTYKTGGD-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[N@H+]1CCCCCF ZINC001132214205 1283142514 /nfs/dbraw/zinc/14/25/14/1283142514.db2.gz CZTJSAHTYKTGGD-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1CCCF ZINC001132202517 1283150959 /nfs/dbraw/zinc/15/09/59/1283150959.db2.gz HYWSCXUAVKYSDL-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001093025115 1283165783 /nfs/dbraw/zinc/16/57/83/1283165783.db2.gz QURMYHYXWYAGOY-XZRHIAIISA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001093025115 1283165787 /nfs/dbraw/zinc/16/57/87/1283165787.db2.gz QURMYHYXWYAGOY-XZRHIAIISA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001093025115 1283165790 /nfs/dbraw/zinc/16/57/90/1283165790.db2.gz QURMYHYXWYAGOY-XZRHIAIISA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C ZINC001093025115 1283165796 /nfs/dbraw/zinc/16/57/96/1283165796.db2.gz QURMYHYXWYAGOY-XZRHIAIISA-N 1 3 341.927 2.686 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)c1 ZINC001132265557 1283218711 /nfs/dbraw/zinc/21/87/11/1283218711.db2.gz OKRGATKOZLCZCQ-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCF)C1)N1CCCCC1 ZINC001036717505 1283222161 /nfs/dbraw/zinc/22/21/61/1283222161.db2.gz WQVADRSPKBBQNA-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCF)C1)N1CCCCC1 ZINC001036717505 1283222168 /nfs/dbraw/zinc/22/21/68/1283222168.db2.gz WQVADRSPKBBQNA-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c(C)s1 ZINC001132266786 1283222698 /nfs/dbraw/zinc/22/26/98/1283222698.db2.gz ZXHGQUBPJXXXTG-DYVFJYSZSA-N 1 3 337.533 2.786 20 0 EFADHO CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717706 1283223839 /nfs/dbraw/zinc/22/38/39/1283223839.db2.gz ZVJHNKHQPPUNSU-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717706 1283223843 /nfs/dbraw/zinc/22/38/43/1283223843.db2.gz ZVJHNKHQPPUNSU-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCCCC(F)(F)F ZINC001132274507 1283245094 /nfs/dbraw/zinc/24/50/94/1283245094.db2.gz VLQDSSPJLGKPQN-KGLIPLIRSA-N 1 3 337.430 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(C2CC2)cc1 ZINC001132277290 1283248019 /nfs/dbraw/zinc/24/80/19/1283248019.db2.gz FEFMURYUGIAAII-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1ccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)cc1 ZINC001132277842 1283249477 /nfs/dbraw/zinc/24/94/77/1283249477.db2.gz JTWGIWWQORJWPW-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001093120319 1283262093 /nfs/dbraw/zinc/26/20/93/1283262093.db2.gz GNIDUCCFQASULN-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001093120319 1283262107 /nfs/dbraw/zinc/26/21/07/1283262107.db2.gz GNIDUCCFQASULN-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735357 1283309035 /nfs/dbraw/zinc/30/90/35/1283309035.db2.gz IKLVCRXNWSNJSH-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3=CCCCC3)C2)CCC1 ZINC001036735357 1283309045 /nfs/dbraw/zinc/30/90/45/1283309045.db2.gz IKLVCRXNWSNJSH-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735287 1283309198 /nfs/dbraw/zinc/30/91/98/1283309198.db2.gz HJPJTENHHSJHGO-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735287 1283309207 /nfs/dbraw/zinc/30/92/07/1283309207.db2.gz HJPJTENHHSJHGO-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735434 1283310532 /nfs/dbraw/zinc/31/05/32/1283310532.db2.gz JNXCLHRGMZRJOI-ZWKOTPCHSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735434 1283310534 /nfs/dbraw/zinc/31/05/34/1283310534.db2.gz JNXCLHRGMZRJOI-ZWKOTPCHSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735659 1283313442 /nfs/dbraw/zinc/31/34/42/1283313442.db2.gz OIZOTHPEXDRGDP-MOPGFXCFSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735659 1283313452 /nfs/dbraw/zinc/31/34/52/1283313452.db2.gz OIZOTHPEXDRGDP-MOPGFXCFSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC2CCC2)C1)C1CCC1 ZINC001036737180 1283317914 /nfs/dbraw/zinc/31/79/14/1283317914.db2.gz MUCJWZWEIZFDEG-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC2CCC2)C1)C1CCC1 ZINC001036737180 1283317923 /nfs/dbraw/zinc/31/79/23/1283317923.db2.gz MUCJWZWEIZFDEG-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736700 1283318540 /nfs/dbraw/zinc/31/85/40/1283318540.db2.gz FCZHOQNRYGIHLN-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736700 1283318553 /nfs/dbraw/zinc/31/85/53/1283318553.db2.gz FCZHOQNRYGIHLN-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660092 1283509865 /nfs/dbraw/zinc/50/98/65/1283509865.db2.gz JIXQPJFZIXARPB-VQIMIIECSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660092 1283509869 /nfs/dbraw/zinc/50/98/69/1283509869.db2.gz JIXQPJFZIXARPB-VQIMIIECSA-N 1 3 341.515 2.683 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410778 1283531348 /nfs/dbraw/zinc/53/13/48/1283531348.db2.gz OADDVQBPPJHLPU-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410778 1283531358 /nfs/dbraw/zinc/53/13/58/1283531358.db2.gz OADDVQBPPJHLPU-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410808 1283531954 /nfs/dbraw/zinc/53/19/54/1283531954.db2.gz OMFQIYDXDDGKGC-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C)c2)C1 ZINC001132410808 1283531965 /nfs/dbraw/zinc/53/19/65/1283531965.db2.gz OMFQIYDXDDGKGC-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(CCc2ccccc2F)C1 ZINC001132411379 1283533644 /nfs/dbraw/zinc/53/36/44/1283533644.db2.gz ZABQNLWTNSQLDK-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(CCc2ccccc2F)C1 ZINC001132411379 1283533651 /nfs/dbraw/zinc/53/36/51/1283533651.db2.gz ZABQNLWTNSQLDK-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360512 1283781235 /nfs/dbraw/zinc/78/12/35/1283781235.db2.gz CHHRKYJFLNGZII-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360512 1283781239 /nfs/dbraw/zinc/78/12/39/1283781239.db2.gz CHHRKYJFLNGZII-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360510 1283782075 /nfs/dbraw/zinc/78/20/75/1283782075.db2.gz CHHRKYJFLNGZII-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093360510 1283782083 /nfs/dbraw/zinc/78/20/83/1283782083.db2.gz CHHRKYJFLNGZII-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361041 1283782325 /nfs/dbraw/zinc/78/23/25/1283782325.db2.gz HFNVGXHYNNZHCX-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361041 1283782338 /nfs/dbraw/zinc/78/23/38/1283782338.db2.gz HFNVGXHYNNZHCX-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361479 1283783039 /nfs/dbraw/zinc/78/30/39/1283783039.db2.gz KVCAWWQSVHNPHK-OALUTQOASA-N 1 3 345.531 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093361479 1283783049 /nfs/dbraw/zinc/78/30/49/1283783049.db2.gz KVCAWWQSVHNPHK-OALUTQOASA-N 1 3 345.531 2.584 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371460 1283806221 /nfs/dbraw/zinc/80/62/21/1283806221.db2.gz RBTFCDCTKISFHB-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093371460 1283806234 /nfs/dbraw/zinc/80/62/34/1283806234.db2.gz RBTFCDCTKISFHB-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371770 1283809583 /nfs/dbraw/zinc/80/95/83/1283809583.db2.gz UWNZMGCJRPDFJQ-SFHVURJKSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371770 1283809594 /nfs/dbraw/zinc/80/95/94/1283809594.db2.gz UWNZMGCJRPDFJQ-SFHVURJKSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093372184 1283810366 /nfs/dbraw/zinc/81/03/66/1283810366.db2.gz YUIIXALMSRSZCF-MOPGFXCFSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001093372184 1283810375 /nfs/dbraw/zinc/81/03/75/1283810375.db2.gz YUIIXALMSRSZCF-MOPGFXCFSA-N 1 3 347.547 2.828 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093376973 1283829182 /nfs/dbraw/zinc/82/91/82/1283829182.db2.gz DZYQGBUNDXAVGQ-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093376973 1283829194 /nfs/dbraw/zinc/82/91/94/1283829194.db2.gz DZYQGBUNDXAVGQ-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093379609 1283839421 /nfs/dbraw/zinc/83/94/21/1283839421.db2.gz DKTIRKQSSINVJV-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093379609 1283839425 /nfs/dbraw/zinc/83/94/25/1283839425.db2.gz DKTIRKQSSINVJV-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001093382591 1283852232 /nfs/dbraw/zinc/85/22/32/1283852232.db2.gz AHLIONRNQHCYFX-FQEVSTJZSA-N 1 3 345.531 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001093382591 1283852241 /nfs/dbraw/zinc/85/22/41/1283852241.db2.gz AHLIONRNQHCYFX-FQEVSTJZSA-N 1 3 345.531 2.585 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccccn1)[C@H]1CCC[N@H+](CC)CC1 ZINC001132555175 1283931244 /nfs/dbraw/zinc/93/12/44/1283931244.db2.gz QXZDZNLEXZOCCL-IBGZPJMESA-N 1 3 346.519 2.626 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccccn1)[C@H]1CCC[N@@H+](CC)CC1 ZINC001132555175 1283931255 /nfs/dbraw/zinc/93/12/55/1283931255.db2.gz QXZDZNLEXZOCCL-IBGZPJMESA-N 1 3 346.519 2.626 20 0 EFADHO Fc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001171414608 1284058940 /nfs/dbraw/zinc/05/89/40/1284058940.db2.gz UGHNVEQWORZHDX-BZSNNMDCSA-N 1 3 332.463 2.916 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCCCCC2)C1 ZINC001036829323 1284169041 /nfs/dbraw/zinc/16/90/41/1284169041.db2.gz CMOINTIBPZRZFF-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCCCC2)C1 ZINC001036829323 1284169047 /nfs/dbraw/zinc/16/90/47/1284169047.db2.gz CMOINTIBPZRZFF-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852818 1284326364 /nfs/dbraw/zinc/32/63/64/1284326364.db2.gz KDKZOHBYYPKQRZ-RTBURBONSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036852818 1284326369 /nfs/dbraw/zinc/32/63/69/1284326369.db2.gz KDKZOHBYYPKQRZ-RTBURBONSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001132888129 1284423541 /nfs/dbraw/zinc/42/35/41/1284423541.db2.gz LEKMKXLRHQZKJW-IRXDYDNUSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132892261 1284427691 /nfs/dbraw/zinc/42/76/91/1284427691.db2.gz CWXLKCVLPKQHOZ-XXCOWLKOSA-N 1 3 335.536 2.901 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132893857 1284429823 /nfs/dbraw/zinc/42/98/23/1284429823.db2.gz SUWNFFJLFNPVNE-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001132936269 1284465663 /nfs/dbraw/zinc/46/56/63/1284465663.db2.gz AYOWPEPUODWXLX-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@@H]1C ZINC001132936625 1284482015 /nfs/dbraw/zinc/48/20/15/1284482015.db2.gz CNNGNEYNCVCOHC-DLBZAZTESA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001132938779 1284491992 /nfs/dbraw/zinc/49/19/92/1284491992.db2.gz ZBZMADZEVSCGBH-SKJVMOOOSA-N 1 3 329.916 2.543 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001093821905 1284542860 /nfs/dbraw/zinc/54/28/60/1284542860.db2.gz ICENADOAWSDFIN-AHRSYUTCSA-N 1 3 343.515 2.519 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1 ZINC001093821304 1284542937 /nfs/dbraw/zinc/54/29/37/1284542937.db2.gz ZFLKZMXXMCXBDO-ZIFCJYIRSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001093824191 1284544533 /nfs/dbraw/zinc/54/45/33/1284544533.db2.gz JXMUTQUTKIXSMY-AHRSYUTCSA-N 1 3 343.515 2.519 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1)N(C)C ZINC001093857663 1284571914 /nfs/dbraw/zinc/57/19/14/1284571914.db2.gz QRHQWZLZRCDXQF-MISYRCLQSA-N 1 3 345.531 2.828 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1)N(C)C ZINC001093859304 1284573825 /nfs/dbraw/zinc/57/38/25/1284573825.db2.gz SSDRVQNRRTZRHW-QWFCFKBJSA-N 1 3 345.531 2.828 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C)[C@H](C)C1)N(C)C ZINC001093859573 1284574345 /nfs/dbraw/zinc/57/43/45/1284574345.db2.gz VVLLHCVCNMBVHD-SZVBFZGTSA-N 1 3 349.494 2.658 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001094041667 1284728169 /nfs/dbraw/zinc/72/81/69/1284728169.db2.gz DSAQRXCVRUOMMO-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3=CCCCC3)[C@H](C)C2)C1 ZINC001094042171 1284730033 /nfs/dbraw/zinc/73/00/33/1284730033.db2.gz MJCMAZSBKBUWFU-ZHALLVOQSA-N 1 3 333.520 2.513 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cs1 ZINC001094042161 1284730095 /nfs/dbraw/zinc/73/00/95/1284730095.db2.gz MAGIOCPDOJQEHQ-HDMKZQKVSA-N 1 3 349.544 2.582 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1)N(C)C ZINC001094049307 1284733062 /nfs/dbraw/zinc/73/30/62/1284733062.db2.gz QRHQWZLZRCDXQF-RLLQIKCJSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1cccc(F)c1 ZINC001094075054 1284759669 /nfs/dbraw/zinc/75/96/69/1284759669.db2.gz XSPXZVXRKNMIEH-IIAWOOMASA-N 1 3 344.434 2.537 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133122219 1284832292 /nfs/dbraw/zinc/83/22/92/1284832292.db2.gz OZFUVRKOMBQEIO-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001133135816 1284850771 /nfs/dbraw/zinc/85/07/71/1284850771.db2.gz XKWIWCRTISUDCP-JKSUJKDBSA-N 1 3 334.508 2.853 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001094241718 1284870119 /nfs/dbraw/zinc/87/01/19/1284870119.db2.gz YPDYSCBWPLHOJZ-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133176676 1284933265 /nfs/dbraw/zinc/93/32/65/1284933265.db2.gz AIJRMPKHOHGFSA-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133178032 1284935000 /nfs/dbraw/zinc/93/50/00/1284935000.db2.gz JTFZKVOOGKQNBM-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001133181440 1284943895 /nfs/dbraw/zinc/94/38/95/1284943895.db2.gz BFQZXEIBJROEHH-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181950 1284944496 /nfs/dbraw/zinc/94/44/96/1284944496.db2.gz LPTXYYVBZKVLGZ-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133182989 1284946821 /nfs/dbraw/zinc/94/68/21/1284946821.db2.gz WRMKSFMOLDQZBO-AZUAARDMSA-N 1 3 345.531 2.645 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001133186437 1284953491 /nfs/dbraw/zinc/95/34/91/1284953491.db2.gz VFLYWUMRLGVYKW-ROUUACIJSA-N 1 3 343.531 2.932 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194517 1284972260 /nfs/dbraw/zinc/97/22/60/1284972260.db2.gz GVGOBSJYRSJYPF-MOPGFXCFSA-N 1 3 337.552 2.839 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194756 1284972486 /nfs/dbraw/zinc/97/24/86/1284972486.db2.gz KBXPGWXJEZEBFV-RTBURBONSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194754 1284972658 /nfs/dbraw/zinc/97/26/58/1284972658.db2.gz KBXPGWXJEZEBFV-OALUTQOASA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194628 1284973263 /nfs/dbraw/zinc/97/32/63/1284973263.db2.gz IEIKFRLHZAATSS-RTBURBONSA-N 1 3 335.536 2.759 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094430681 1285071772 /nfs/dbraw/zinc/07/17/72/1285071772.db2.gz VMDFGVHGZCKVIY-YQVWRLOYSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094430681 1285071778 /nfs/dbraw/zinc/07/17/78/1285071778.db2.gz VMDFGVHGZCKVIY-YQVWRLOYSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133274157 1285112026 /nfs/dbraw/zinc/11/20/26/1285112026.db2.gz CCABAYXELWAEKQ-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133274124 1285113101 /nfs/dbraw/zinc/11/31/01/1285113101.db2.gz BMXTUCMETYZRCE-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133274525 1285114880 /nfs/dbraw/zinc/11/48/80/1285114880.db2.gz JRGPYZJXTVRNFR-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133275359 1285114950 /nfs/dbraw/zinc/11/49/50/1285114950.db2.gz RTUWKSLXLIDHSH-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C[NH2+]CCCF ZINC001133342025 1285222556 /nfs/dbraw/zinc/22/25/56/1285222556.db2.gz MNKSYXZGHIHNNM-AEFFLSMTSA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345885 1285228512 /nfs/dbraw/zinc/22/85/12/1285228512.db2.gz ICVZWUFBRLKXRF-ZWKOTPCHSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]2C)c1 ZINC001133346201 1285229344 /nfs/dbraw/zinc/22/93/44/1285229344.db2.gz KTXUTLZSGVNESU-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133346131 1285229888 /nfs/dbraw/zinc/22/98/88/1285229888.db2.gz JVOBIPICYFETLZ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133347351 1285234385 /nfs/dbraw/zinc/23/43/85/1285234385.db2.gz WBWFYOFXLLAEOC-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133347384 1285235230 /nfs/dbraw/zinc/23/52/30/1285235230.db2.gz WVZHQEFJAZCVQF-PKOBYXMFSA-N 1 3 335.536 2.901 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C(C)C ZINC001133410360 1285370553 /nfs/dbraw/zinc/37/05/53/1285370553.db2.gz AYUFOYVDPZSGLI-UHFFFAOYSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001133415651 1285378971 /nfs/dbraw/zinc/37/89/71/1285378971.db2.gz JCYNHTDQWQUQKU-GOSISDBHSA-N 1 3 333.520 2.776 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133415868 1285379361 /nfs/dbraw/zinc/37/93/61/1285379361.db2.gz ROUWCMLQABOANC-HXUWFJFHSA-N 1 3 341.499 2.940 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCF)C1 ZINC001036902345 1285381809 /nfs/dbraw/zinc/38/18/09/1285381809.db2.gz JHZJXCISSFJOGR-MJGOQNOKSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCF)C1 ZINC001036902345 1285381823 /nfs/dbraw/zinc/38/18/23/1285381823.db2.gz JHZJXCISSFJOGR-MJGOQNOKSA-N 1 3 347.478 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001133418973 1285382641 /nfs/dbraw/zinc/38/26/41/1285382641.db2.gz GPXQWOUBZYYZEX-QGZVFWFLSA-N 1 3 333.501 2.693 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902325 1285383023 /nfs/dbraw/zinc/38/30/23/1285383023.db2.gz JASRLQFHBPQXGA-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902325 1285383027 /nfs/dbraw/zinc/38/30/27/1285383027.db2.gz JASRLQFHBPQXGA-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001036904598 1285393430 /nfs/dbraw/zinc/39/34/30/1285393430.db2.gz UUASCOSHVBDEFD-PHCRLAQASA-N 1 3 339.911 2.538 20 0 EFADHO C[NH+](C)CCCCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812828193 1285458184 /nfs/dbraw/zinc/45/81/84/1285458184.db2.gz JNOOIPFUTCZEBZ-UHFFFAOYSA-N 1 3 330.831 2.956 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N1CCCC1 ZINC001110161944 1285481605 /nfs/dbraw/zinc/48/16/05/1285481605.db2.gz ZOOXRSQJYOHOMW-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N1CCCC1 ZINC001110161944 1285481612 /nfs/dbraw/zinc/48/16/12/1285481612.db2.gz ZOOXRSQJYOHOMW-XWSJACJDSA-N 1 3 333.520 2.628 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001171502000 1285609678 /nfs/dbraw/zinc/60/96/78/1285609678.db2.gz ZSRFTPRFBAPBAI-MAUKXSAKSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001171509244 1285619043 /nfs/dbraw/zinc/61/90/43/1285619043.db2.gz NNNZETJFQIHQHQ-DZGCQCFKSA-N 1 3 340.537 2.556 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001171586916 1285636562 /nfs/dbraw/zinc/63/65/62/1285636562.db2.gz VSMOCDIQMGNSMN-MRXNPFEDSA-N 1 3 334.508 2.577 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001171586804 1285637040 /nfs/dbraw/zinc/63/70/40/1285637040.db2.gz TWVDWMIYXHUPAP-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)CCCCNCc1nccs1 ZINC001171586804 1285637053 /nfs/dbraw/zinc/63/70/53/1285637053.db2.gz TWVDWMIYXHUPAP-CQSZACIVSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]Cc1ncccc1C ZINC001171586876 1285637565 /nfs/dbraw/zinc/63/75/65/1285637565.db2.gz UTMLQBOLPOFPFF-QGZVFWFLSA-N 1 3 348.535 2.885 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171587820 1285638698 /nfs/dbraw/zinc/63/86/98/1285638698.db2.gz YYLOUQFCYBBHIG-SOUVJXGZSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](N)C2)C[C@@H]1C(C)(C)C ZINC001171587820 1285638709 /nfs/dbraw/zinc/63/87/09/1285638709.db2.gz YYLOUQFCYBBHIG-SOUVJXGZSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H](N)C2)C[C@H]1C(C)(C)C ZINC001171587818 1285639244 /nfs/dbraw/zinc/63/92/44/1285639244.db2.gz YYLOUQFCYBBHIG-KKUMJFAQSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H](N)C2)C[C@H]1C(C)(C)C ZINC001171587818 1285639252 /nfs/dbraw/zinc/63/92/52/1285639252.db2.gz YYLOUQFCYBBHIG-KKUMJFAQSA-N 1 3 325.497 2.834 20 0 EFADHO Cc1cc(N2CCC([NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC2)ncn1 ZINC001171630679 1285662779 /nfs/dbraw/zinc/66/27/79/1285662779.db2.gz RNLHGTYVJJJBJE-UHFFFAOYSA-N 1 3 345.535 2.995 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCC[C@@H](Oc3cnccn3)C2)CC1(C)C ZINC001171640336 1285718601 /nfs/dbraw/zinc/71/86/01/1285718601.db2.gz CZLVBVSZJQCZNR-MRXNPFEDSA-N 1 3 332.492 2.971 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCC[C@@H](Oc3cnccn3)C2)CC1(C)C ZINC001171640336 1285718606 /nfs/dbraw/zinc/71/86/06/1285718606.db2.gz CZLVBVSZJQCZNR-MRXNPFEDSA-N 1 3 332.492 2.971 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1nsc2ccccc12 ZINC001171731692 1285748525 /nfs/dbraw/zinc/74/85/25/1285748525.db2.gz LMGHDSIFTRNYIC-UHFFFAOYSA-N 1 3 348.516 2.624 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1nsc2ccccc12 ZINC001171731692 1285748528 /nfs/dbraw/zinc/74/85/28/1285748528.db2.gz LMGHDSIFTRNYIC-UHFFFAOYSA-N 1 3 348.516 2.624 20 0 EFADHO COCC[N@H+]([C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755257 1285764317 /nfs/dbraw/zinc/76/43/17/1285764317.db2.gz MVELLWYLGASVQZ-NQIIRXRSSA-N 1 3 345.531 2.692 20 0 EFADHO COCC[N@@H+]([C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755257 1285764322 /nfs/dbraw/zinc/76/43/22/1285764322.db2.gz MVELLWYLGASVQZ-NQIIRXRSSA-N 1 3 345.531 2.692 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC001171763275 1285769210 /nfs/dbraw/zinc/76/92/10/1285769210.db2.gz WZPWQPINJIJTHR-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001171763035 1285770810 /nfs/dbraw/zinc/77/08/10/1285770810.db2.gz RREIITHJBXNZCL-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CCc1ccc2ccccc2c1 ZINC001171770414 1285776799 /nfs/dbraw/zinc/77/67/99/1285776799.db2.gz QEDOYPGUBWBFGE-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+](CC)CC ZINC001133685348 1285779534 /nfs/dbraw/zinc/77/95/34/1285779534.db2.gz UFSYTSSVOCIODZ-ZDUSSCGKSA-N 1 3 331.913 2.728 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871527 1285831925 /nfs/dbraw/zinc/83/19/25/1285831925.db2.gz OVJXBGACPJLLDT-RTBURBONSA-N 1 3 329.488 2.755 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838700 1285845777 /nfs/dbraw/zinc/84/57/77/1285845777.db2.gz ISWDSIDOPMIHKU-LSDHHAIUSA-N 1 3 325.497 2.835 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838700 1285845784 /nfs/dbraw/zinc/84/57/84/1285845784.db2.gz ISWDSIDOPMIHKU-LSDHHAIUSA-N 1 3 325.497 2.835 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]CCCN2CCCC2)CC1 ZINC001171863692 1285864445 /nfs/dbraw/zinc/86/44/45/1285864445.db2.gz CJLOJCFOIJDIDO-LJQANCHMSA-N 1 3 329.488 2.757 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](N2CCC([NH+]3CCC3)CC2)CC1 ZINC001171905466 1285891504 /nfs/dbraw/zinc/89/15/04/1285891504.db2.gz RVRBIEMGLGXSLR-IBGZPJMESA-N 1 3 341.499 2.851 20 0 EFADHO O=C1C[C@H](NC2CC[NH+](CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172004689 1285949726 /nfs/dbraw/zinc/94/97/26/1285949726.db2.gz IVNNKJVKNZCJJU-GOSISDBHSA-N 1 3 333.520 2.774 20 0 EFADHO O=C1C[C@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172004689 1285949734 /nfs/dbraw/zinc/94/97/34/1285949734.db2.gz IVNNKJVKNZCJJU-GOSISDBHSA-N 1 3 333.520 2.774 20 0 EFADHO Cn1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1=O ZINC001171972096 1285955243 /nfs/dbraw/zinc/95/52/43/1285955243.db2.gz OBDLXDUSURGGPU-IBGZPJMESA-N 1 3 339.483 2.918 20 0 EFADHO Cn1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1=O ZINC001171972096 1285955251 /nfs/dbraw/zinc/95/52/51/1285955251.db2.gz OBDLXDUSURGGPU-IBGZPJMESA-N 1 3 339.483 2.918 20 0 EFADHO C[N@H+](CCN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975495 1285956885 /nfs/dbraw/zinc/95/68/85/1285956885.db2.gz DPQZSDCHTBRBND-FQEVSTJZSA-N 1 3 345.531 2.694 20 0 EFADHO C[N@@H+](CCN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975495 1285956889 /nfs/dbraw/zinc/95/68/89/1285956889.db2.gz DPQZSDCHTBRBND-FQEVSTJZSA-N 1 3 345.531 2.694 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975068 1285958544 /nfs/dbraw/zinc/95/85/44/1285958544.db2.gz CBZZZBVLXXWXMD-IRXDYDNUSA-N 1 3 329.488 2.544 20 0 EFADHO CC1(C)C(=O)NC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975068 1285958548 /nfs/dbraw/zinc/95/85/48/1285958548.db2.gz CBZZZBVLXXWXMD-IRXDYDNUSA-N 1 3 329.488 2.544 20 0 EFADHO CC1(C)C[C@H]([NH2+]C[C@H](O)C(F)(F)F)CCN1Cc1ccccc1 ZINC001171984719 1285964952 /nfs/dbraw/zinc/96/49/52/1285964952.db2.gz XYLUPBQJTUKPPS-CABCVRRESA-N 1 3 330.394 2.942 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133819767 1285974059 /nfs/dbraw/zinc/97/40/59/1285974059.db2.gz NUMOBJGGJIPXDG-QGZVFWFLSA-N 1 3 339.483 2.838 20 0 EFADHO CCN1CC[C@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1=O ZINC001172029765 1285979094 /nfs/dbraw/zinc/97/90/94/1285979094.db2.gz FDZRJOWHMKQFNS-KRWDZBQOSA-N 1 3 349.906 2.687 20 0 EFADHO CCN1CC[C@@H](N2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1=O ZINC001172029768 1285979110 /nfs/dbraw/zinc/97/91/10/1285979110.db2.gz FDZRJOWHMKQFNS-QGZVFWFLSA-N 1 3 349.906 2.687 20 0 EFADHO CCN1CC[C@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1=O ZINC001172030686 1285979649 /nfs/dbraw/zinc/97/96/49/1285979649.db2.gz LUFLCMQGCRKJKW-INIZCTEOSA-N 1 3 349.906 2.687 20 0 EFADHO CC[C@H](NCCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ccc(F)cc1F ZINC001133823312 1285981194 /nfs/dbraw/zinc/98/11/94/1285981194.db2.gz BQLQOVINCXLJKN-DYVFJYSZSA-N 1 3 339.430 2.606 20 0 EFADHO CC[C@H](NCCNC(=O)C[N@H+]1CCC[C@H]1C)c1ccc(F)cc1F ZINC001133823312 1285981196 /nfs/dbraw/zinc/98/11/96/1285981196.db2.gz BQLQOVINCXLJKN-DYVFJYSZSA-N 1 3 339.430 2.606 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823613 1285981256 /nfs/dbraw/zinc/98/12/56/1285981256.db2.gz KMCMGLPZZADSQP-MRXNPFEDSA-N 1 3 347.503 2.509 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823613 1285981257 /nfs/dbraw/zinc/98/12/57/1285981257.db2.gz KMCMGLPZZADSQP-MRXNPFEDSA-N 1 3 347.503 2.509 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823612 1285981333 /nfs/dbraw/zinc/98/13/33/1285981333.db2.gz KMCMGLPZZADSQP-INIZCTEOSA-N 1 3 347.503 2.509 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823612 1285981338 /nfs/dbraw/zinc/98/13/38/1285981338.db2.gz KMCMGLPZZADSQP-INIZCTEOSA-N 1 3 347.503 2.509 20 0 EFADHO CO[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C[C@@H]1OC ZINC001172067394 1286006688 /nfs/dbraw/zinc/00/66/88/1286006688.db2.gz CIMIBYKYROXFDO-GCFHALSMSA-N 1 3 344.499 2.918 20 0 EFADHO CO[C@@H]1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1OC ZINC001172067394 1286006694 /nfs/dbraw/zinc/00/66/94/1286006694.db2.gz CIMIBYKYROXFDO-GCFHALSMSA-N 1 3 344.499 2.918 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172126225 1286010005 /nfs/dbraw/zinc/01/00/05/1286010005.db2.gz UYPQNYXCUPESIZ-REPLKXPHSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172126225 1286010009 /nfs/dbraw/zinc/01/00/09/1286010009.db2.gz UYPQNYXCUPESIZ-REPLKXPHSA-N 1 3 328.456 2.847 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1cccc2ccccc21 ZINC001133850440 1286012875 /nfs/dbraw/zinc/01/28/75/1286012875.db2.gz MVFHDKHJWCMNML-SJORKVTESA-N 1 3 339.483 2.948 20 0 EFADHO CCC/C=C/CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133850666 1286012919 /nfs/dbraw/zinc/01/29/19/1286012919.db2.gz PLEBMTLKNJVVDL-LKGOPFMKSA-N 1 3 327.488 2.651 20 0 EFADHO COc1cccc(CN2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)c1 ZINC001172128809 1286013345 /nfs/dbraw/zinc/01/33/45/1286013345.db2.gz UKSFWHDZZJCHKP-ACDBMABISA-N 1 3 343.515 2.828 20 0 EFADHO CN(C)C[C@@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813620229 1286028588 /nfs/dbraw/zinc/02/85/88/1286028588.db2.gz ZNVYVLYORGMHJK-GOSISDBHSA-N 1 3 335.467 2.811 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001172121040 1286029219 /nfs/dbraw/zinc/02/92/19/1286029219.db2.gz BLOBSPNAMUBULX-PMOLBWCYSA-N 1 3 325.500 2.820 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001172121040 1286029224 /nfs/dbraw/zinc/02/92/24/1286029224.db2.gz BLOBSPNAMUBULX-PMOLBWCYSA-N 1 3 325.500 2.820 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC(N4CCCC4)=NO3)CC1)C2 ZINC001172121936 1286029988 /nfs/dbraw/zinc/02/99/88/1286029988.db2.gz NNOBRGJCPIRTJN-BCDXTJNWSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1cncnc1OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172122365 1286030465 /nfs/dbraw/zinc/03/04/65/1286030465.db2.gz ANIOCUGFTSEJOZ-FVQHAEBGSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1OC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172122365 1286030466 /nfs/dbraw/zinc/03/04/66/1286030466.db2.gz ANIOCUGFTSEJOZ-FVQHAEBGSA-N 1 3 330.476 2.644 20 0 EFADHO CC(C)(C)CCC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856423 1286030642 /nfs/dbraw/zinc/03/06/42/1286030642.db2.gz FCDPSSAGARGVEV-SFHVURJKSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001133849767 1286030779 /nfs/dbraw/zinc/03/07/79/1286030779.db2.gz DDJKPVZVLWOQHN-OLZOCXBDSA-N 1 3 341.858 2.588 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133856538 1286030940 /nfs/dbraw/zinc/03/09/40/1286030940.db2.gz IKEPQECXMJHFJK-OXJNMPFZSA-N 1 3 349.494 2.974 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133856539 1286031370 /nfs/dbraw/zinc/03/13/70/1286031370.db2.gz IKEPQECXMJHFJK-OXQOHEQNSA-N 1 3 349.494 2.974 20 0 EFADHO O=C1CC[C@@H]2C[C@@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)CCN12 ZINC001172165913 1286044527 /nfs/dbraw/zinc/04/45/27/1286044527.db2.gz KVDXDSBPVLMTRY-YTQUADARSA-N 1 3 331.504 2.550 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C2CC(N)C2)CC1 ZINC001172214800 1286054051 /nfs/dbraw/zinc/05/40/51/1286054051.db2.gz BZYHPYDFZWYVQY-UHFFFAOYSA-N 1 3 336.863 2.773 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2ccccc2Cl)CC1 ZINC001172244158 1286075982 /nfs/dbraw/zinc/07/59/82/1286075982.db2.gz LTCLCGZAVATEBO-UHFFFAOYSA-N 1 3 326.868 2.809 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001133896001 1286076027 /nfs/dbraw/zinc/07/60/27/1286076027.db2.gz ANEJEUZSLCZERZ-UHFFFAOYSA-N 1 3 339.430 2.562 20 0 EFADHO COCCC[NH+]1CCC(NC[C@H](C)Oc2ccc(OC)cc2)CC1 ZINC001172243929 1286076171 /nfs/dbraw/zinc/07/61/71/1286076171.db2.gz JNQSGRGDWWPHOS-INIZCTEOSA-N 1 3 336.476 2.553 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2ccc(Cl)cc2)CC1 ZINC001172243213 1286076676 /nfs/dbraw/zinc/07/66/76/1286076676.db2.gz FIVGNTZGJWWCGF-UHFFFAOYSA-N 1 3 326.868 2.809 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001133905664 1286088551 /nfs/dbraw/zinc/08/85/51/1286088551.db2.gz FXQFWEGMIJQULJ-UHFFFAOYSA-N 1 3 333.520 2.611 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001133908435 1286092563 /nfs/dbraw/zinc/09/25/63/1286092563.db2.gz QVXGVHKTNNPPAE-IRXDYDNUSA-N 1 3 325.541 2.887 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001165719024 1312670122 /nfs/dbraw/zinc/67/01/22/1312670122.db2.gz XMZPJUHUGRFFAM-DLBZAZTESA-N 1 3 325.541 2.885 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524501 1286164492 /nfs/dbraw/zinc/16/44/92/1286164492.db2.gz YGKMBYJNDLDTTC-GTAWCEEGSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524501 1286164496 /nfs/dbraw/zinc/16/44/96/1286164496.db2.gz YGKMBYJNDLDTTC-GTAWCEEGSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21)N(C)C ZINC001133962641 1286165980 /nfs/dbraw/zinc/16/59/80/1286165980.db2.gz JIRAACDBIDYBNU-IBGZPJMESA-N 1 3 337.467 2.802 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)N(C)C ZINC001133963392 1286167866 /nfs/dbraw/zinc/16/78/66/1286167866.db2.gz UDKMATOKUQAZSN-IBGZPJMESA-N 1 3 333.520 2.775 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001172605039 1286199920 /nfs/dbraw/zinc/19/99/20/1286199920.db2.gz OCQRGMFCCZMUQY-MOPGFXCFSA-N 1 3 345.487 2.615 20 0 EFADHO Nc1cc(N[C@H]2CC[C@H]([NH+]3CCN(CC4CC4)CC3)CC2)ncc1F ZINC001170717690 1286231726 /nfs/dbraw/zinc/23/17/26/1286231726.db2.gz FPWMYDSMXXJZRO-WKILWMFISA-N 1 3 347.482 2.554 20 0 EFADHO CN1CCN(Cc2ccccc2C[NH2+][C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170719037 1286245619 /nfs/dbraw/zinc/24/56/19/1286245619.db2.gz BVYGPEGBDZLWHI-OWZKRDHZSA-N 1 3 327.516 2.958 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)N(C)C ZINC001206176260 1286288459 /nfs/dbraw/zinc/28/84/59/1286288459.db2.gz JUQZOZKKARHUCU-QGZVFWFLSA-N 1 3 329.504 2.541 20 0 EFADHO CO[C@H]1CCC[C@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)C1 ZINC001172939357 1286344225 /nfs/dbraw/zinc/34/42/25/1286344225.db2.gz UKBUAMXNKSMJMF-OALUTQOASA-N 1 3 346.519 2.808 20 0 EFADHO CO[C@@H]1CCC[C@@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)C1 ZINC001172939359 1286344414 /nfs/dbraw/zinc/34/44/14/1286344414.db2.gz UKBUAMXNKSMJMF-RTBURBONSA-N 1 3 346.519 2.808 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC001173000601 1286378781 /nfs/dbraw/zinc/37/87/81/1286378781.db2.gz QWYXNFXENWXNJO-RBUKOAKNSA-N 1 3 347.478 2.893 20 0 EFADHO C[C@@H]1CC[C@@H](N2CC3(C2)CC[NH+](C)CC3)CN1C(=O)OC(C)(C)C ZINC001173075933 1286409488 /nfs/dbraw/zinc/40/94/88/1286409488.db2.gz MAOBMACLXPZFRY-HZPDHXFCSA-N 1 3 337.508 2.802 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3cc(C)ncn3)CC2)CC1 ZINC001173113006 1286415294 /nfs/dbraw/zinc/41/52/94/1286415294.db2.gz GBQWHMFKFVCMCW-UHFFFAOYSA-N 1 3 331.508 2.560 20 0 EFADHO c1nc2c(s1)C[C@@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001173131514 1286419092 /nfs/dbraw/zinc/41/90/92/1286419092.db2.gz LLEUDDJTHHOQLE-INIZCTEOSA-N 1 3 342.512 2.897 20 0 EFADHO CCSC[C@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001173304602 1286514889 /nfs/dbraw/zinc/51/48/89/1286514889.db2.gz QARBUKWEIAEWRY-CGTJXYLNSA-N 1 3 326.550 2.808 20 0 EFADHO CCSC[C@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001173304602 1286514894 /nfs/dbraw/zinc/51/48/94/1286514894.db2.gz QARBUKWEIAEWRY-CGTJXYLNSA-N 1 3 326.550 2.808 20 0 EFADHO CCSC[C@@H](C)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001173304603 1286515277 /nfs/dbraw/zinc/51/52/77/1286515277.db2.gz QARBUKWEIAEWRY-KBAYOESNSA-N 1 3 326.550 2.808 20 0 EFADHO CCSC[C@@H](C)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001173304603 1286515279 /nfs/dbraw/zinc/51/52/79/1286515279.db2.gz QARBUKWEIAEWRY-KBAYOESNSA-N 1 3 326.550 2.808 20 0 EFADHO CCOCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368870 1286638658 /nfs/dbraw/zinc/63/86/58/1286638658.db2.gz BPFBJWCWUPEUQA-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccnc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369828 1286640505 /nfs/dbraw/zinc/64/05/05/1286640505.db2.gz SKQLPEZPMPHYBY-IRXDYDNUSA-N 1 3 346.519 2.719 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccnc1 ZINC001134369829 1286641630 /nfs/dbraw/zinc/64/16/30/1286641630.db2.gz SKQLPEZPMPHYBY-SJORKVTESA-N 1 3 346.519 2.719 20 0 EFADHO C[C@@H]1CC(N2CCC(C)([NH3+])CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173676650 1286748346 /nfs/dbraw/zinc/74/83/46/1286748346.db2.gz DJFGUURIJAWHPI-ZIAGYGMSSA-N 1 3 325.497 2.976 20 0 EFADHO COC(=O)c1ccc(C[C@@H](C)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001173722870 1286769205 /nfs/dbraw/zinc/76/92/05/1286769205.db2.gz GDTQHADITCDCMV-MRXNPFEDSA-N 1 3 339.439 2.621 20 0 EFADHO C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000822797953 1289108529 /nfs/dbraw/zinc/10/85/29/1289108529.db2.gz OIFZHJHAFZVDIW-ILXRZTDVSA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000822797953 1289108533 /nfs/dbraw/zinc/10/85/33/1289108533.db2.gz OIFZHJHAFZVDIW-ILXRZTDVSA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@@H]1N1CCN(C)CC1 ZINC000822797953 1289108536 /nfs/dbraw/zinc/10/85/36/1289108536.db2.gz OIFZHJHAFZVDIW-ILXRZTDVSA-N 1 3 334.335 2.528 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583454 1286916541 /nfs/dbraw/zinc/91/65/41/1286916541.db2.gz KOAKTXVVLBUFDR-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583381 1286917110 /nfs/dbraw/zinc/91/71/10/1286917110.db2.gz JVVDFCJAKCFHOP-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583506 1286917417 /nfs/dbraw/zinc/91/74/17/1286917417.db2.gz LWXWPQSXJOVUBT-HZPDHXFCSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134583760 1286917860 /nfs/dbraw/zinc/91/78/60/1286917860.db2.gz NYJHHLDKRSSWNL-DLBZAZTESA-N 1 3 331.504 2.586 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1F ZINC001134584164 1286918417 /nfs/dbraw/zinc/91/84/17/1286918417.db2.gz RDTKQUBQGRTCAW-CVEARBPZSA-N 1 3 349.494 2.725 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001134584544 1286919183 /nfs/dbraw/zinc/91/91/83/1286919183.db2.gz UZTVBFULYXKAHL-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001134583978 1286919418 /nfs/dbraw/zinc/91/94/18/1286919418.db2.gz POEKRZPEMOZJOD-RYUDHWBXSA-N 1 3 336.307 2.663 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611870 1286949661 /nfs/dbraw/zinc/94/96/61/1286949661.db2.gz CXXZVXCLJFNVKW-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(F)c1 ZINC001134613680 1286951548 /nfs/dbraw/zinc/95/15/48/1286951548.db2.gz XLGRIHJIDSQXGC-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO C[NH+]1CCN(c2ccc(F)cc2Nc2ccc3nccn3c2)CC1 ZINC001174279267 1286954430 /nfs/dbraw/zinc/95/44/30/1286954430.db2.gz QUDHPXGCSIHHKI-UHFFFAOYSA-N 1 3 325.391 2.969 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001134607493 1286967519 /nfs/dbraw/zinc/96/75/19/1286967519.db2.gz IIGPFFAFTPYCEU-CABCVRRESA-N 1 3 335.467 2.683 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001134607486 1286967711 /nfs/dbraw/zinc/96/77/11/1286967711.db2.gz IDEJIEPSOXVUKR-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1nc(CNCCCCCCNC(=O)CCC[NH+](C)C)cs1 ZINC001179403821 1289124995 /nfs/dbraw/zinc/12/49/95/1289124995.db2.gz WFEQBVVUPJWURE-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001174692057 1287114538 /nfs/dbraw/zinc/11/45/38/1287114538.db2.gz RJBKETAWDLKTMD-MRXNPFEDSA-N 1 3 332.423 2.647 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001134759658 1287155290 /nfs/dbraw/zinc/15/52/90/1287155290.db2.gz XDGVVFQGZREJCX-GOSISDBHSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1cc2ccccc2o1 ZINC001134759658 1287155294 /nfs/dbraw/zinc/15/52/94/1287155294.db2.gz XDGVVFQGZREJCX-GOSISDBHSA-N 1 3 343.471 2.902 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134759722 1287155788 /nfs/dbraw/zinc/15/57/88/1287155788.db2.gz ZFYRBPDOHOVAPY-LJQANCHMSA-N 1 3 331.504 2.772 20 0 EFADHO CCc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)c1 ZINC001134763445 1287160642 /nfs/dbraw/zinc/16/06/42/1287160642.db2.gz YVWRKMSQYWNNRF-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001134766841 1287164092 /nfs/dbraw/zinc/16/40/92/1287164092.db2.gz NICQXBKDRSRAJH-RBUKOAKNSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001134769332 1287166460 /nfs/dbraw/zinc/16/64/60/1287166460.db2.gz KMFPWMCZRUTVLP-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134772225 1287168970 /nfs/dbraw/zinc/16/89/70/1287168970.db2.gz AHVVEYJVABOUPZ-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134772225 1287168973 /nfs/dbraw/zinc/16/89/73/1287168973.db2.gz AHVVEYJVABOUPZ-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1csc(C)n1 ZINC001134772395 1287170305 /nfs/dbraw/zinc/17/03/05/1287170305.db2.gz CTRAWKSETOPREQ-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1csc(C)n1 ZINC001134772395 1287170310 /nfs/dbraw/zinc/17/03/10/1287170310.db2.gz CTRAWKSETOPREQ-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC001134773638 1287171633 /nfs/dbraw/zinc/17/16/33/1287171633.db2.gz PUTPWOOUNKNIJN-HZPDHXFCSA-N 1 3 349.519 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1scnc1C ZINC001134774366 1287171916 /nfs/dbraw/zinc/17/19/16/1287171916.db2.gz XUYZGXNSNJHEJB-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114483571 1287196294 /nfs/dbraw/zinc/19/62/94/1287196294.db2.gz JEEDXOHKBVUOPD-ZSGPHXLJSA-N 1 3 347.478 2.663 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001114483571 1287196295 /nfs/dbraw/zinc/19/62/95/1287196295.db2.gz JEEDXOHKBVUOPD-ZSGPHXLJSA-N 1 3 347.478 2.663 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C)c1 ZINC001179430785 1289138504 /nfs/dbraw/zinc/13/85/04/1289138504.db2.gz FEOFPBJDRDDLIG-YJBOKZPZSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)c1cccc(CN[C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)n1 ZINC001179435786 1289139937 /nfs/dbraw/zinc/13/99/37/1289139937.db2.gz XFRZPGGKMCJSTA-LPHOPBHVSA-N 1 3 346.519 2.626 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)cc1 ZINC001176279393 1287921198 /nfs/dbraw/zinc/92/11/98/1287921198.db2.gz NJCNSUCSWJCBPC-KRWDZBQOSA-N 1 3 349.519 2.802 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001176286049 1287923344 /nfs/dbraw/zinc/92/33/44/1287923344.db2.gz SSGBTCQZDXRGTB-ZDUSSCGKSA-N 1 3 338.323 2.912 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)CCC[NH+](C)C)NCc1nc2ccccc2o1 ZINC001135308181 1287924145 /nfs/dbraw/zinc/92/41/45/1287924145.db2.gz OZJLCTFJBRJNPM-HUUCEWRRSA-N 1 3 346.475 2.543 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001176292559 1287925575 /nfs/dbraw/zinc/92/55/75/1287925575.db2.gz KZSISFRMRHQZSP-SFHVURJKSA-N 1 3 349.519 2.672 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)CCC[NH+](C)C)NCc1c(F)cccc1F ZINC001135315557 1287944074 /nfs/dbraw/zinc/94/40/74/1287944074.db2.gz QAFKVXFKKXFLCT-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481808 1288036581 /nfs/dbraw/zinc/03/65/81/1288036581.db2.gz XSKGPPUKTHOJIP-IRXDYDNUSA-N 1 3 343.556 2.654 20 0 EFADHO CC(C)COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475839 1288047202 /nfs/dbraw/zinc/04/72/02/1288047202.db2.gz GDHDRWQOUPIAGU-SJORKVTESA-N 1 3 343.556 2.510 20 0 EFADHO Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475644 1288047419 /nfs/dbraw/zinc/04/74/19/1288047419.db2.gz DGKLIJGZPNPATH-JKSUJKDBSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001135510626 1288067600 /nfs/dbraw/zinc/06/76/00/1288067600.db2.gz CRLHVJKSXJMHAO-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001135511413 1288067872 /nfs/dbraw/zinc/06/78/72/1288067872.db2.gz RHBACGPBCFBWKK-UHFFFAOYSA-N 1 3 327.472 2.696 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]CCCc1cccc2ccccc21 ZINC001135513078 1288069660 /nfs/dbraw/zinc/06/96/60/1288069660.db2.gz GKQICPKLEKWJIR-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO COCCC[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176736663 1288087574 /nfs/dbraw/zinc/08/75/74/1288087574.db2.gz CVQDDSFAHAJJPR-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746090 1288093154 /nfs/dbraw/zinc/09/31/54/1288093154.db2.gz FBYSMBPSJQPTPL-IAGOWNOFSA-N 1 3 349.519 2.661 20 0 EFADHO C[C@H]1[C@@H](NCc2cc(Cl)ccc2F)CCN1C(=O)CC[NH+](C)C ZINC001179472218 1289155031 /nfs/dbraw/zinc/15/50/31/1289155031.db2.gz IZKLHLVXBUZYJE-LRDDRELGSA-N 1 3 341.858 2.510 20 0 EFADHO Cc1ncc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001176754129 1288120532 /nfs/dbraw/zinc/12/05/32/1288120532.db2.gz RGKHPHQZCUURCF-CQSZACIVSA-N 1 3 340.537 2.556 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCOC ZINC001176758460 1288121457 /nfs/dbraw/zinc/12/14/57/1288121457.db2.gz CKQOBKQVZXEHED-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001176884490 1288161739 /nfs/dbraw/zinc/16/17/39/1288161739.db2.gz KFBSVDBEBMWRFA-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CC=C(Cl)Cl)c1 ZINC001176890263 1288164257 /nfs/dbraw/zinc/16/42/57/1288164257.db2.gz OXXAUKORHYYKSP-UHFFFAOYSA-N 1 3 344.286 2.777 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001176948433 1288191146 /nfs/dbraw/zinc/19/11/46/1288191146.db2.gz XBTUBUNHOAKNRM-UHFFFAOYSA-N 1 3 331.485 2.719 20 0 EFADHO Cc1ccc2sc(C[NH2+]CCCNC(=O)CN(C)C(C)C)nc2c1 ZINC001176975887 1288203404 /nfs/dbraw/zinc/20/34/04/1288203404.db2.gz ZCUKSMMMJPLRIR-UHFFFAOYSA-N 1 3 348.516 2.541 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001176986992 1288208233 /nfs/dbraw/zinc/20/82/33/1288208233.db2.gz YRRGWQNFIGQEHB-SFHVURJKSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1cccc(F)c1 ZINC001176987016 1288208411 /nfs/dbraw/zinc/20/84/11/1288208411.db2.gz ZJDORBLIWAZSBP-LJQANCHMSA-N 1 3 349.494 2.729 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001176986880 1288208488 /nfs/dbraw/zinc/20/84/88/1288208488.db2.gz XOGWMHSJHSBABG-BEBFYNPSSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001176986859 1288208495 /nfs/dbraw/zinc/20/84/95/1288208495.db2.gz XGGFGFXKPLGOHF-CYBMUJFWSA-N 1 3 343.874 2.976 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001176992262 1288218175 /nfs/dbraw/zinc/21/81/75/1288218175.db2.gz KWRIWGNCAIVFLV-IBGZPJMESA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001176992333 1288218215 /nfs/dbraw/zinc/21/82/15/1288218215.db2.gz MMOFZTXYOBIYCU-JKSUJKDBSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001176992348 1288218332 /nfs/dbraw/zinc/21/83/32/1288218332.db2.gz MVLCMJCYOOYKCF-RBUKOAKNSA-N 1 3 347.478 2.783 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001176992349 1288218428 /nfs/dbraw/zinc/21/84/28/1288218428.db2.gz MVLCMJCYOOYKCF-RTBURBONSA-N 1 3 347.478 2.783 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001176992346 1288218967 /nfs/dbraw/zinc/21/89/67/1288218967.db2.gz MVLCMJCYOOYKCF-MOPGFXCFSA-N 1 3 347.478 2.783 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C ZINC001179534403 1289167715 /nfs/dbraw/zinc/16/77/15/1289167715.db2.gz KKHLRNFDOYBDDA-ILXRZTDVSA-N 1 3 349.441 2.782 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135706620 1288290579 /nfs/dbraw/zinc/29/05/79/1288290579.db2.gz XQKFFHWVSHYHTJ-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135706135 1288291145 /nfs/dbraw/zinc/29/11/45/1288291145.db2.gz PFTRIEZOVUCMDM-DLBZAZTESA-N 1 3 345.531 2.890 20 0 EFADHO CC(C)COCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498761 1289170391 /nfs/dbraw/zinc/17/03/91/1289170391.db2.gz GLJFOQPOWMPJGN-GOSISDBHSA-N 1 3 343.556 2.511 20 0 EFADHO COCCCCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179499146 1289170642 /nfs/dbraw/zinc/17/06/42/1289170642.db2.gz NCWSAMWNWYLOFV-GOSISDBHSA-N 1 3 343.556 2.656 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(CC)CC)c1 ZINC001135743185 1288322707 /nfs/dbraw/zinc/32/27/07/1288322707.db2.gz GJFPIIJPLOZISC-IRXDYDNUSA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135744251 1288325653 /nfs/dbraw/zinc/32/56/53/1288325653.db2.gz YFCDKJAVWUQZAH-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135747162 1288328450 /nfs/dbraw/zinc/32/84/50/1288328450.db2.gz NXNGDDWFKYGBEC-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)N(C)C ZINC001179609168 1289198165 /nfs/dbraw/zinc/19/81/65/1289198165.db2.gz LMFQJUVAJYLAFB-INIZCTEOSA-N 1 3 325.522 2.855 20 0 EFADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]C/C=C\Cl)C1 ZINC001179593020 1289193452 /nfs/dbraw/zinc/19/34/52/1289193452.db2.gz UYMACPVNPXBAFQ-CLFYSBASSA-N 1 3 329.916 2.737 20 0 EFADHO CC(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C1CC1)N(C)C ZINC001177340049 1288399230 /nfs/dbraw/zinc/39/92/30/1288399230.db2.gz YOMSWGYRIGIWJH-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)N(C)C ZINC001177341711 1288400285 /nfs/dbraw/zinc/40/02/85/1288400285.db2.gz ANASPFXLPRVYPY-SFHVURJKSA-N 1 3 343.531 2.931 20 0 EFADHO CC(C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177341975 1288400380 /nfs/dbraw/zinc/40/03/80/1288400380.db2.gz GASOFHXTKJFHCE-SFHVURJKSA-N 1 3 325.541 2.980 20 0 EFADHO CN(CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1)C1CCC1 ZINC001177344891 1288401075 /nfs/dbraw/zinc/40/10/75/1288401075.db2.gz ABYICYSWBMTVQF-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N(CCC[NH2+]CCCF)CC1CCCC1)C1CCC1 ZINC001177345208 1288402374 /nfs/dbraw/zinc/40/23/74/1288402374.db2.gz UKZIELBJJBMPKC-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO CC1CC(C[NH2+]CCCN(CC2CCCC2)C(=O)Cc2c[nH]cn2)C1 ZINC001177430862 1288436120 /nfs/dbraw/zinc/43/61/20/1288436120.db2.gz ALDZVACTPNDKNR-UHFFFAOYSA-N 1 3 346.519 2.997 20 0 EFADHO Cc1csc(CN[C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)n1 ZINC001135961275 1288701901 /nfs/dbraw/zinc/70/19/01/1288701901.db2.gz OBPDCWKVFFINBD-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001135980293 1288705736 /nfs/dbraw/zinc/70/57/36/1288705736.db2.gz NEZGIAPECAYFNM-CVEARBPZSA-N 1 3 339.549 2.895 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001135981120 1288706769 /nfs/dbraw/zinc/70/67/69/1288706769.db2.gz YERFALALQWQFQT-HZPDHXFCSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001135981054 1288706978 /nfs/dbraw/zinc/70/69/78/1288706978.db2.gz WXPJWPMFQVVKIP-CVEARBPZSA-N 1 3 337.483 2.583 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]Cc2ccsc2)CCC1 ZINC001178693360 1288872948 /nfs/dbraw/zinc/87/29/48/1288872948.db2.gz NYFUGNCMKAJZRK-UHFFFAOYSA-N 1 3 337.533 2.999 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1)C1CC1 ZINC001178698344 1288875853 /nfs/dbraw/zinc/87/58/53/1288875853.db2.gz DPXAUDWHNQTBMI-LJQANCHMSA-N 1 3 331.504 2.793 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178755277 1288893859 /nfs/dbraw/zinc/89/38/59/1288893859.db2.gz PPHCKEHLRYMGBB-SFHVURJKSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759922 1288894980 /nfs/dbraw/zinc/89/49/80/1288894980.db2.gz QXPNHXNZAKFLAJ-IBGZPJMESA-N 1 3 348.535 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCCCCF)N(C)C ZINC001178759296 1288895001 /nfs/dbraw/zinc/89/50/01/1288895001.db2.gz DQIQRYYWJYIGKL-KRWDZBQOSA-N 1 3 331.520 2.979 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255148 1312681917 /nfs/dbraw/zinc/68/19/17/1312681917.db2.gz LQCPELKAOLSAOD-HKUYNNGSSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255148 1312681921 /nfs/dbraw/zinc/68/19/21/1312681921.db2.gz LQCPELKAOLSAOD-HKUYNNGSSA-N 1 3 343.515 2.626 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CCOC1CCC1 ZINC001178853067 1288943178 /nfs/dbraw/zinc/94/31/78/1288943178.db2.gz BBDBQNBYODORMG-UHFFFAOYSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC001178853188 1288943225 /nfs/dbraw/zinc/94/32/25/1288943225.db2.gz DFVJODQTZUFTOU-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C)N(C)C ZINC001178985351 1289012850 /nfs/dbraw/zinc/01/28/50/1289012850.db2.gz FUCHUXBYULXXCD-YTQUADARSA-N 1 3 331.504 2.538 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538846 1289182491 /nfs/dbraw/zinc/18/24/91/1289182491.db2.gz JDXCKRDVZIJVEC-BXWFABGCSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C/Cl)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179539269 1289183688 /nfs/dbraw/zinc/18/36/88/1289183688.db2.gz STSVUHOIPPYQBH-BKZIXDGWSA-N 1 3 345.890 2.530 20 0 EFADHO CCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179539133 1289183721 /nfs/dbraw/zinc/18/37/21/1289183721.db2.gz PJTJZNRLXISCCP-RLFYNMQTSA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C)N(C)C ZINC001179553997 1289187757 /nfs/dbraw/zinc/18/77/57/1289187757.db2.gz JOYGYLAOKHXKKO-IHRRRGAJSA-N 1 3 337.430 2.638 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCCCCC[NH2+]CC2CC2)C1 ZINC001179591229 1289192089 /nfs/dbraw/zinc/19/20/89/1289192089.db2.gz QBMWRCFKQLOYOC-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001179609689 1289198071 /nfs/dbraw/zinc/19/80/71/1289198071.db2.gz XYUWPBSTTLVCPQ-SFHVURJKSA-N 1 3 337.483 2.932 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)N(C)C ZINC001179609071 1289198412 /nfs/dbraw/zinc/19/84/12/1289198412.db2.gz FMEXUVHEEHBRFG-IBGZPJMESA-N 1 3 333.520 2.836 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001179580737 1289201064 /nfs/dbraw/zinc/20/10/64/1289201064.db2.gz NVLYCUSWIBEBMJ-GOSISDBHSA-N 1 3 346.519 2.641 20 0 EFADHO CCCCOCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580895 1289201152 /nfs/dbraw/zinc/20/11/52/1289201152.db2.gz UXXIRBACNICWAQ-GOSISDBHSA-N 1 3 341.540 2.554 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179744329 1289255994 /nfs/dbraw/zinc/25/59/94/1289255994.db2.gz LQNVCUATTJFYBF-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179763904 1289262265 /nfs/dbraw/zinc/26/22/65/1289262265.db2.gz PSZMKRAUJDAVNF-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C ZINC001179763564 1289262598 /nfs/dbraw/zinc/26/25/98/1289262598.db2.gz LSGAWZQHIBPIEH-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@@H]1C ZINC001179763635 1289262626 /nfs/dbraw/zinc/26/26/26/1289262626.db2.gz NSFFSJPRAQXARY-AOIWGVFYSA-N 1 3 331.504 2.977 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]1C ZINC001179766033 1289263888 /nfs/dbraw/zinc/26/38/88/1289263888.db2.gz LVBODTCLQQBJAI-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001179846558 1289284976 /nfs/dbraw/zinc/28/49/76/1289284976.db2.gz KHPLHISSXKIKQL-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(C(C)C)n2)[C@@H]1C ZINC001179857203 1289286827 /nfs/dbraw/zinc/28/68/27/1289286827.db2.gz XOTDVPIJPPNVQM-LPHOPBHVSA-N 1 3 346.519 2.626 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2cccc(C(C)C)n2)[C@@H]1C ZINC001179857203 1289286830 /nfs/dbraw/zinc/28/68/30/1289286830.db2.gz XOTDVPIJPPNVQM-LPHOPBHVSA-N 1 3 346.519 2.626 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@@H]1C ZINC001179983079 1289350316 /nfs/dbraw/zinc/35/03/16/1289350316.db2.gz KNBXFMGPDXJXMP-JXFKEZNVSA-N 1 3 343.515 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@@H]1C ZINC001179983244 1289352503 /nfs/dbraw/zinc/35/25/03/1289352503.db2.gz QXWXGKQZZMIDQZ-BXWFABGCSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CCCC[NH+](C)C ZINC001179967461 1289369756 /nfs/dbraw/zinc/36/97/56/1289369756.db2.gz BTINUYNGXHHDGF-STQMWFEESA-N 1 3 336.307 2.616 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC/C=C\c2ccccc2)CCN1C(=O)CN1CCCC1 ZINC001180131830 1289414137 /nfs/dbraw/zinc/41/41/37/1289414137.db2.gz NLTUPLBOZCHXKL-GCSNRRRASA-N 1 3 341.499 2.765 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001180124327 1289426951 /nfs/dbraw/zinc/42/69/51/1289426951.db2.gz UUNAUXBVQHMYME-UHFFFAOYSA-N 1 3 325.419 2.547 20 0 EFADHO CC[C@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180203906 1289442395 /nfs/dbraw/zinc/44/23/95/1289442395.db2.gz BIEKMVGPPRYJNR-BXWFABGCSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H](C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180203907 1289442789 /nfs/dbraw/zinc/44/27/89/1289442789.db2.gz BIEKMVGPPRYJNR-GJYPPUQNSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c[nH]1 ZINC001232462617 1312709002 /nfs/dbraw/zinc/70/90/02/1312709002.db2.gz ZKLACDIVTKJABW-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1nc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c[nH]1 ZINC001232462617 1312709006 /nfs/dbraw/zinc/70/90/06/1312709006.db2.gz ZKLACDIVTKJABW-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180226786 1289450718 /nfs/dbraw/zinc/45/07/18/1289450718.db2.gz MEXHQKIZSPJYPO-ICSRJNTNSA-N 1 3 345.531 2.847 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC001180226612 1289451094 /nfs/dbraw/zinc/45/10/94/1289451094.db2.gz CXWLWWFYPIYSTF-YOEHRIQHSA-N 1 3 337.895 2.759 20 0 EFADHO CN1CCC[C@H](C[NH2+]Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC000823842834 1289466410 /nfs/dbraw/zinc/46/64/10/1289466410.db2.gz RPDLCGMKCXYTTQ-QGZVFWFLSA-N 1 3 341.455 2.803 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180365952 1289514460 /nfs/dbraw/zinc/51/44/60/1289514460.db2.gz QENYUAARNPVOBH-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO Cc1ncc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)s1 ZINC001180369390 1289515738 /nfs/dbraw/zinc/51/57/38/1289515738.db2.gz CHWZMGAYSBYFBU-UHFFFAOYSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166004333 1312717238 /nfs/dbraw/zinc/71/72/38/1312717238.db2.gz LPCKUQJYYFPMIM-LJQANCHMSA-N 1 3 349.519 2.656 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001166004734 1312717306 /nfs/dbraw/zinc/71/73/06/1312717306.db2.gz VGSIWQHERWAJOK-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)N1CCCC1 ZINC001180585726 1289578284 /nfs/dbraw/zinc/57/82/84/1289578284.db2.gz MUAMPDJFBDCGGM-KBAYOESNSA-N 1 3 347.478 2.909 20 0 EFADHO COc1cccc(OCCC[NH2+]Cc2cc3c(s2)CCNC3)c1 ZINC000873212498 1289646827 /nfs/dbraw/zinc/64/68/27/1289646827.db2.gz MLKPFXVCWVMJMN-UHFFFAOYSA-N 1 3 332.469 2.961 20 0 EFADHO c1cnn(Cc2ccc(CNCc3cc4c(s3)CC[NH2+]C4)cc2)c1 ZINC000873213303 1289647590 /nfs/dbraw/zinc/64/75/90/1289647590.db2.gz UUWNQWZNQBHYJF-UHFFFAOYSA-N 1 3 338.480 2.928 20 0 EFADHO [NH3+][C@@H](C[C@@H]1CCCN(Cc2cnc3cnccn23)C1)C1CCCC1 ZINC000873231972 1289667377 /nfs/dbraw/zinc/66/73/77/1289667377.db2.gz HUYBEFIJHYUMOH-YJBOKZPZSA-N 1 3 327.476 2.849 20 0 EFADHO Cc1c([C@@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccccc1 ZINC000873260140 1289687576 /nfs/dbraw/zinc/68/75/76/1289687576.db2.gz TZKLQUQDVORQTG-MXASKKJJSA-N 1 3 325.460 2.757 20 0 EFADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000873289475 1289704717 /nfs/dbraw/zinc/70/47/17/1289704717.db2.gz IFMQIHGXKXMVIH-YPMHNXCESA-N 1 3 328.378 2.913 20 0 EFADHO CC(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001181477327 1289821119 /nfs/dbraw/zinc/82/11/19/1289821119.db2.gz VVQBXKXEUMXKAY-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001181652630 1289885913 /nfs/dbraw/zinc/88/59/13/1289885913.db2.gz NROMFTGSBHCOOA-JFGKJWALSA-N 1 3 347.890 2.638 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CC1CC(C)(C)C1 ZINC001181745459 1289926312 /nfs/dbraw/zinc/92/63/12/1289926312.db2.gz GZBMKBSOFCOTPN-OXQOHEQNSA-N 1 3 349.563 2.981 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001181754435 1289929254 /nfs/dbraw/zinc/92/92/54/1289929254.db2.gz AKUZWGGDTJSIOD-NEAQBKAASA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]Cc1ccccc1 ZINC001181736801 1289938322 /nfs/dbraw/zinc/93/83/22/1289938322.db2.gz XHVDIHUWUCOFFR-DYESRHJHSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001181896534 1289993495 /nfs/dbraw/zinc/99/34/95/1289993495.db2.gz NSJIFZSMMFKVSJ-YVWKXTFCSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1 ZINC001181941437 1290007139 /nfs/dbraw/zinc/00/71/39/1290007139.db2.gz INPKQDSCYVIHOC-VQIMIIECSA-N 1 3 343.531 2.931 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001181999870 1290033484 /nfs/dbraw/zinc/03/34/84/1290033484.db2.gz AGGKUFQBQRIBFY-ZCYBBYNQSA-N 1 3 333.520 2.617 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CC2)c1 ZINC001037119786 1290227722 /nfs/dbraw/zinc/22/77/22/1290227722.db2.gz FCYLUWSZMOKHTR-MOPGFXCFSA-N 1 3 329.488 2.646 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CC2)c1 ZINC001037119788 1290227901 /nfs/dbraw/zinc/22/79/01/1290227901.db2.gz FCYLUWSZMOKHTR-RBUKOAKNSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001182630453 1290228930 /nfs/dbraw/zinc/22/89/30/1290228930.db2.gz WSMIYWIYEPCTKV-CBGDNZLLSA-N 1 3 349.563 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1)N(C)C ZINC001182638213 1290230671 /nfs/dbraw/zinc/23/06/71/1290230671.db2.gz ZVYNMAOESYMIGP-ZIFCJYIRSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001182807676 1290256289 /nfs/dbraw/zinc/25/62/89/1290256289.db2.gz XWAXJGMIYGRCMQ-ZIFCJYIRSA-N 1 3 341.515 2.683 20 0 EFADHO CN1CC[NH+](C2CCN(Cc3cccc4ncsc43)CC2)CC1 ZINC001232734112 1312770104 /nfs/dbraw/zinc/77/01/04/1312770104.db2.gz VOLRGOZGTNXYRV-UHFFFAOYSA-N 1 3 330.501 2.508 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)CN(CC)CC)C2)cc1 ZINC001182973459 1290288150 /nfs/dbraw/zinc/28/81/50/1290288150.db2.gz LEAPGXXYHQDLHU-RTBURBONSA-N 1 3 349.494 2.619 20 0 EFADHO CC[C@@H](C(=O)NCCCNCc1c(F)cccc1F)[NH+](CC)CC ZINC001166424545 1312774686 /nfs/dbraw/zinc/77/46/86/1312774686.db2.gz JVELPOXHNOMLGS-KRWDZBQOSA-N 1 3 341.446 2.681 20 0 EFADHO CC[C@H](C(=O)NCCCNCc1cc(F)ccc1F)[NH+](CC)CC ZINC001166424363 1312774914 /nfs/dbraw/zinc/77/49/14/1312774914.db2.gz FHQWCJVXSXZEAV-QGZVFWFLSA-N 1 3 341.446 2.681 20 0 EFADHO Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001183437255 1290347909 /nfs/dbraw/zinc/34/79/09/1290347909.db2.gz VZTWNZVWQVFHSJ-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@]1(C)C[NH2+]CCCF ZINC001183510525 1290357727 /nfs/dbraw/zinc/35/77/27/1290357727.db2.gz ZRWXVUHPKNKNNV-OXQOHEQNSA-N 1 3 349.494 2.796 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001183509525 1290358154 /nfs/dbraw/zinc/35/81/54/1290358154.db2.gz KOTDSCKVEAAFPO-WIYYLYMNSA-N 1 3 345.531 2.909 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835697 1290382123 /nfs/dbraw/zinc/38/21/23/1290382123.db2.gz AUDMSIAJFURPSV-RTBURBONSA-N 1 3 336.439 2.556 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835697 1290382132 /nfs/dbraw/zinc/38/21/32/1290382132.db2.gz AUDMSIAJFURPSV-RTBURBONSA-N 1 3 336.439 2.556 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000874841237 1290387480 /nfs/dbraw/zinc/38/74/80/1290387480.db2.gz AQFXOQBJFMLZQS-RTBURBONSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841237 1290387489 /nfs/dbraw/zinc/38/74/89/1290387489.db2.gz AQFXOQBJFMLZQS-RTBURBONSA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841237 1290387498 /nfs/dbraw/zinc/38/74/98/1290387498.db2.gz AQFXOQBJFMLZQS-RTBURBONSA-N 1 3 327.472 2.591 20 0 EFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)ccc1Cl ZINC000903507145 1312787011 /nfs/dbraw/zinc/78/70/11/1312787011.db2.gz OVUCTTXQODBQDJ-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)ccc1Cl ZINC000903507145 1312787014 /nfs/dbraw/zinc/78/70/14/1312787014.db2.gz OVUCTTXQODBQDJ-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)ccc1Cl ZINC000903507145 1312787017 /nfs/dbraw/zinc/78/70/17/1312787017.db2.gz OVUCTTXQODBQDJ-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795575559 1290550586 /nfs/dbraw/zinc/55/05/86/1290550586.db2.gz WTUYRJMQHJWOQD-DOTOQJQBSA-N 1 3 340.920 2.963 20 0 EFADHO O[C@@H](CN1CCCC1)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795575559 1290550593 /nfs/dbraw/zinc/55/05/93/1290550593.db2.gz WTUYRJMQHJWOQD-DOTOQJQBSA-N 1 3 340.920 2.963 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]CC1CCC1 ZINC001185171253 1290608456 /nfs/dbraw/zinc/60/84/56/1290608456.db2.gz VADCMMIIDZBZNB-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]C/C=C\Cl ZINC001185171460 1290609056 /nfs/dbraw/zinc/60/90/56/1290609056.db2.gz VZMQCMJUFUCVOK-AJKQWTFCSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CCC1CC1 ZINC001185171508 1290609712 /nfs/dbraw/zinc/60/97/12/1290609712.db2.gz WSLADYITORKDSE-WMZOPIPTSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185213621 1290622832 /nfs/dbraw/zinc/62/28/32/1290622832.db2.gz DWEKKUXYXZUTSO-SJLPKXTDSA-N 1 3 344.503 2.917 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001185316393 1290646471 /nfs/dbraw/zinc/64/64/71/1290646471.db2.gz FCSFVJVIYPCPCU-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361208 1290651003 /nfs/dbraw/zinc/65/10/03/1290651003.db2.gz WEJXWJXDNMAWBO-WMZOPIPTSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185361141 1290651877 /nfs/dbraw/zinc/65/18/77/1290651877.db2.gz VDVMJUUQAJUXLO-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001185382328 1290662402 /nfs/dbraw/zinc/66/24/02/1290662402.db2.gz ZCQXKVNZEHNTRD-RTBURBONSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185550186 1290705152 /nfs/dbraw/zinc/70/51/52/1290705152.db2.gz UBFXMRIZBGEVIF-DLBZAZTESA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001185551067 1290706554 /nfs/dbraw/zinc/70/65/54/1290706554.db2.gz XKMUTWREBFWAHN-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001185547200 1290718673 /nfs/dbraw/zinc/71/86/73/1290718673.db2.gz FYYAPELHGNOAGF-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185546504 1290718748 /nfs/dbraw/zinc/71/87/48/1290718748.db2.gz CREPCRPWHKNZNW-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001166626784 1312806004 /nfs/dbraw/zinc/80/60/04/1312806004.db2.gz JFZVIIWTZHQDPD-QGZVFWFLSA-N 1 3 339.483 2.920 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001166627415 1312806266 /nfs/dbraw/zinc/80/62/66/1312806266.db2.gz VGQOLRFXXKSYEP-BEFAXECRSA-N 1 3 347.478 2.783 20 0 EFADHO CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001185742005 1290755106 /nfs/dbraw/zinc/75/51/06/1290755106.db2.gz QAKVGDYKROXPOM-QFBILLFUSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001166627248 1312806368 /nfs/dbraw/zinc/80/63/68/1312806368.db2.gz TUVXCLRXAOIAJY-HKUYNNGSSA-N 1 3 343.515 2.687 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627219 1312806433 /nfs/dbraw/zinc/80/64/33/1312806433.db2.gz SNTSIFIOSVXMKO-QGZVFWFLSA-N 1 3 347.503 2.556 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166627218 1312806451 /nfs/dbraw/zinc/80/64/51/1312806451.db2.gz SNTSIFIOSVXMKO-KRWDZBQOSA-N 1 3 347.503 2.556 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185754252 1290763570 /nfs/dbraw/zinc/76/35/70/1290763570.db2.gz ZUSPAQMIAJWRJL-AEFFLSMTSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F ZINC001166634919 1312808313 /nfs/dbraw/zinc/80/83/13/1312808313.db2.gz YOXXDQSROWWKMS-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c(C)c1 ZINC001166633162 1312808700 /nfs/dbraw/zinc/80/87/00/1312808700.db2.gz AUIPQMXKZBGRQT-SFHVURJKSA-N 1 3 331.504 2.692 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(Cl)cc1 ZINC001166645005 1312809743 /nfs/dbraw/zinc/80/97/43/1312809743.db2.gz LMGJBRSKYRVIIX-HUUCEWRRSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC/C=C\c1ccccc1 ZINC001166627270 1312806673 /nfs/dbraw/zinc/80/66/73/1312806673.db2.gz UKKZWTFYTOPXDU-KYDJUPTOSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001166627429 1312806732 /nfs/dbraw/zinc/80/67/32/1312806732.db2.gz VSFNBQRGYIEXCU-MRKPZDFFSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001166627418 1312806887 /nfs/dbraw/zinc/80/68/87/1312806887.db2.gz VGQOLRFXXKSYEP-KXBFYZLASA-N 1 3 347.478 2.783 20 0 EFADHO C[NH+](C)CCCN1CCN(Cc2ccccc2-n2cccc2)CC1 ZINC001232911424 1312807229 /nfs/dbraw/zinc/80/72/29/1312807229.db2.gz UVAQFENTVIPWGS-UHFFFAOYSA-N 1 3 326.488 2.547 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC)CC[C@@H]1c1ccc(F)cc1 ZINC001186204120 1290895869 /nfs/dbraw/zinc/89/58/69/1290895869.db2.gz ZAIRGCCJGFPZQU-IEBWSBKVSA-N 1 3 349.494 2.709 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC)CC[C@@H]1c1ccc(F)cc1 ZINC001186204120 1290895882 /nfs/dbraw/zinc/89/58/82/1290895882.db2.gz ZAIRGCCJGFPZQU-IEBWSBKVSA-N 1 3 349.494 2.709 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001166676889 1312817332 /nfs/dbraw/zinc/81/73/32/1312817332.db2.gz DQBAYWWRCCCQOH-MRXNPFEDSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC001166677553 1312817349 /nfs/dbraw/zinc/81/73/49/1312817349.db2.gz JXUCQIVQRRLNTQ-IRXDYDNUSA-N 1 3 343.515 2.674 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001166677560 1312817706 /nfs/dbraw/zinc/81/77/06/1312817706.db2.gz JZSWEMHNONJSRN-KDOFPFPSSA-N 1 3 349.906 2.765 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CCCC2CCC2)C1 ZINC001166687560 1312820454 /nfs/dbraw/zinc/82/04/54/1312820454.db2.gz WGTISHJHMIVYDO-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC2CCCCC2)C1 ZINC001166687495 1312820466 /nfs/dbraw/zinc/82/04/66/1312820466.db2.gz UDPZBJOAIUSAKM-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001186412817 1290951618 /nfs/dbraw/zinc/95/16/18/1290951618.db2.gz SKFRESKJHWEBMQ-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(CC)CC)C2)c1 ZINC001186487580 1290963878 /nfs/dbraw/zinc/96/38/78/1290963878.db2.gz JIFMDABTBPPHSX-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203650992 1291060073 /nfs/dbraw/zinc/06/00/73/1291060073.db2.gz KRYCYHNUXKIDFO-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+](Cc1cc([O-])cc(Br)c1)CC1CC[NH+](C)CC1 ZINC001232998510 1312829156 /nfs/dbraw/zinc/82/91/56/1312829156.db2.gz VSBZKFMJHYMYSS-UHFFFAOYSA-N 1 3 327.266 2.928 20 0 EFADHO C[N@H+](Cc1cc([O-])cc(Br)c1)CC1CC[NH+](C)CC1 ZINC001232998510 1312829159 /nfs/dbraw/zinc/82/91/59/1312829159.db2.gz VSBZKFMJHYMYSS-UHFFFAOYSA-N 1 3 327.266 2.928 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166743983 1312832470 /nfs/dbraw/zinc/83/24/70/1312832470.db2.gz BVBVYPXTNHFJMJ-OAHLLOKOSA-N 1 3 335.467 2.715 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC000877019636 1291108557 /nfs/dbraw/zinc/10/85/57/1291108557.db2.gz BHKJBDPLOHWKED-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO COc1cc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001166744178 1312833338 /nfs/dbraw/zinc/83/33/38/1312833338.db2.gz LFNZXYZNOROBLL-UHFFFAOYSA-N 1 3 349.519 2.577 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000877073392 1291125791 /nfs/dbraw/zinc/12/57/91/1291125791.db2.gz JMBISSVYKLUURP-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CC1CCC(F)(F)CC1)CC(C)(C)C ZINC001166744233 1312833560 /nfs/dbraw/zinc/83/35/60/1312833560.db2.gz MOPYWUPQRLSZPM-UHFFFAOYSA-N 1 3 347.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001187291404 1291138720 /nfs/dbraw/zinc/13/87/20/1291138720.db2.gz QYQAYNTZVWTNBY-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000877129879 1291138905 /nfs/dbraw/zinc/13/89/05/1291138905.db2.gz GHBYVUHDEGBXED-CABCVRRESA-N 1 3 343.393 2.552 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000877129882 1291139073 /nfs/dbraw/zinc/13/90/73/1291139073.db2.gz GHBYVUHDEGBXED-HUUCEWRRSA-N 1 3 343.393 2.552 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001187291066 1291139497 /nfs/dbraw/zinc/13/94/97/1291139497.db2.gz GDJFNVXYQWAHPW-LJQANCHMSA-N 1 3 331.504 2.842 20 0 EFADHO CCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)CCC)C2)c1 ZINC001187323014 1291144290 /nfs/dbraw/zinc/14/42/90/1291144290.db2.gz TWAVGMNPCPIXPH-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001187329745 1291145706 /nfs/dbraw/zinc/14/57/06/1291145706.db2.gz UUJUTSHVEGYHDB-QZTJIDSGSA-N 1 3 331.504 2.897 20 0 EFADHO COc1cccc([C@H](C)[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166750914 1312835305 /nfs/dbraw/zinc/83/53/05/1312835305.db2.gz MMPBHAUMANSALX-INIZCTEOSA-N 1 3 349.519 2.830 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)C[C@@H]3NCc4ccccc43)CC2)CC1 ZINC000877192257 1291161217 /nfs/dbraw/zinc/16/12/17/1291161217.db2.gz JGEBPIOQCLEDEZ-SFHVURJKSA-N 1 3 327.472 2.555 20 0 EFADHO CN1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCC1(C)C ZINC000877206557 1291166564 /nfs/dbraw/zinc/16/65/64/1291166564.db2.gz KFZXHFFIZSJROW-UHFFFAOYSA-N 1 3 342.487 2.546 20 0 EFADHO CC1([NH+]2CCCCC2)CCN(C(=O)c2cccc3c2CNC3)CC1 ZINC000877301279 1291187492 /nfs/dbraw/zinc/18/74/92/1291187492.db2.gz QDVXUEFHMQHPRG-UHFFFAOYSA-N 1 3 327.472 2.770 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001166764948 1312838472 /nfs/dbraw/zinc/83/84/72/1312838472.db2.gz PBZPRXUVSKILTB-UHFFFAOYSA-N 1 3 337.895 2.668 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001166765096 1312838636 /nfs/dbraw/zinc/83/86/36/1312838636.db2.gz RFGWWYPKYADXKZ-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877408609 1291227591 /nfs/dbraw/zinc/22/75/91/1291227591.db2.gz HESYTVUMBUAYGP-QZTJIDSGSA-N 1 3 327.472 2.650 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2CCCCN(C)C2)CC1 ZINC000877653914 1291311289 /nfs/dbraw/zinc/31/12/89/1291311289.db2.gz RKWIUUYVOMHWEZ-MRXNPFEDSA-N 1 3 325.497 2.567 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001188106839 1291312548 /nfs/dbraw/zinc/31/25/48/1291312548.db2.gz YQLWETQDWVMYSZ-GOSISDBHSA-N 1 3 347.478 2.701 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001188144920 1291317653 /nfs/dbraw/zinc/31/76/53/1291317653.db2.gz ABGBZAHQGMEXNT-CQSZACIVSA-N 1 3 341.858 2.510 20 0 EFADHO CCC(CC)CN1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957279183 1291320114 /nfs/dbraw/zinc/32/01/14/1291320114.db2.gz HMCQJIIYUFCLKJ-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188158169 1291333914 /nfs/dbraw/zinc/33/39/14/1291333914.db2.gz FUPQGESLIZMTCD-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001188158703 1291334279 /nfs/dbraw/zinc/33/42/79/1291334279.db2.gz VNRVXFLYDABWHS-GOSISDBHSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001188158527 1291334407 /nfs/dbraw/zinc/33/44/07/1291334407.db2.gz RZXAAHUWCCFPQH-KDOFPFPSSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CCCOc1c(C)cccc1C)N(C)C ZINC001166851533 1312854063 /nfs/dbraw/zinc/85/40/63/1312854063.db2.gz CJSPFYDFZGERAF-SFHVURJKSA-N 1 3 349.519 2.508 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(Cl)ccc1Cl)N(C)C ZINC001166852913 1312854099 /nfs/dbraw/zinc/85/40/99/1312854099.db2.gz YMACUMDQSDRJBS-HNNXBMFYSA-N 1 3 346.302 2.930 20 0 EFADHO CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312545 1291668616 /nfs/dbraw/zinc/66/86/16/1291668616.db2.gz VDXJDRZWPXKECZ-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001189312545 1291668622 /nfs/dbraw/zinc/66/86/22/1291668622.db2.gz VDXJDRZWPXKECZ-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001189390108 1291694134 /nfs/dbraw/zinc/69/41/34/1291694134.db2.gz NCGWKTRJJYOURZ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001189390108 1291694140 /nfs/dbraw/zinc/69/41/40/1291694140.db2.gz NCGWKTRJJYOURZ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001189389346 1291694773 /nfs/dbraw/zinc/69/47/73/1291694773.db2.gz JHPMPVLJBJHPKU-IDTFUJSHSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001189389346 1291694778 /nfs/dbraw/zinc/69/47/78/1291694778.db2.gz JHPMPVLJBJHPKU-IDTFUJSHSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001189390006 1291694872 /nfs/dbraw/zinc/69/48/72/1291694872.db2.gz NCGWKTRJJYOURZ-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001189390006 1291694875 /nfs/dbraw/zinc/69/48/75/1291694875.db2.gz NCGWKTRJJYOURZ-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001189391539 1291696795 /nfs/dbraw/zinc/69/67/95/1291696795.db2.gz ZKEHKBXWWBHROB-VQTJNVASSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001189391539 1291696802 /nfs/dbraw/zinc/69/68/02/1291696802.db2.gz ZKEHKBXWWBHROB-VQTJNVASSA-N 1 3 343.515 2.555 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957516921 1291698594 /nfs/dbraw/zinc/69/85/94/1291698594.db2.gz DWTHTKCMOLMGKI-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957517490 1291699303 /nfs/dbraw/zinc/69/93/03/1291699303.db2.gz SUUXZBXHPUNTBY-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114751315 1291753268 /nfs/dbraw/zinc/75/32/68/1291753268.db2.gz YBFGFVQFYUDJNM-HLNWXESRSA-N 1 3 347.478 2.665 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC2)CC[NH+](CCCF)CC3)CCC1 ZINC000957559417 1291765311 /nfs/dbraw/zinc/76/53/11/1291765311.db2.gz IRPFHUVUANJMOL-UHFFFAOYSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC[C@H](C)F)CC2)N(C)C ZINC000957569031 1291781276 /nfs/dbraw/zinc/78/12/76/1291781276.db2.gz XHYMVEYMPYPUGK-DLBZAZTESA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CC[C@@H](C)F)CC2)N(C)C ZINC000957569032 1291781305 /nfs/dbraw/zinc/78/13/05/1291781305.db2.gz XHYMVEYMPYPUGK-IAGOWNOFSA-N 1 3 341.515 2.779 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001189669596 1291793950 /nfs/dbraw/zinc/79/39/50/1291793950.db2.gz XGYHNPMGIQRYLN-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001189669596 1291793956 /nfs/dbraw/zinc/79/39/56/1291793956.db2.gz XGYHNPMGIQRYLN-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2)N(C)C ZINC000957606110 1291861139 /nfs/dbraw/zinc/86/11/39/1291861139.db2.gz ZXOAXWFIFKECMG-YKXBDCQTSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465073 1312889309 /nfs/dbraw/zinc/88/93/09/1312889309.db2.gz PUTORHGBSCWQFJ-GUDVDZBRSA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465073 1312889314 /nfs/dbraw/zinc/88/93/14/1312889314.db2.gz PUTORHGBSCWQFJ-GUDVDZBRSA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049465154 1312889457 /nfs/dbraw/zinc/88/94/57/1312889457.db2.gz QYEHBDNMJMZUMY-IPMKNSEASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049465154 1312889461 /nfs/dbraw/zinc/88/94/61/1312889461.db2.gz QYEHBDNMJMZUMY-IPMKNSEASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049465152 1312889900 /nfs/dbraw/zinc/88/99/00/1312889900.db2.gz QYEHBDNMJMZUMY-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049465152 1312889904 /nfs/dbraw/zinc/88/99/04/1312889904.db2.gz QYEHBDNMJMZUMY-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957645017 1291954519 /nfs/dbraw/zinc/95/45/19/1291954519.db2.gz RSOPDCKOSNVJOS-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114794344 1292023464 /nfs/dbraw/zinc/02/34/64/1292023464.db2.gz GVFXCFUUMKFLOJ-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)N(C)C ZINC001114794344 1292023470 /nfs/dbraw/zinc/02/34/70/1292023470.db2.gz GVFXCFUUMKFLOJ-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)CN1CCC2(CC1)CC[NH+](C)CC2)C1CC1 ZINC000879248548 1292041172 /nfs/dbraw/zinc/04/11/72/1292041172.db2.gz VYNDRGWUESCANQ-INIZCTEOSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1F)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248470 1292041202 /nfs/dbraw/zinc/04/12/02/1292041202.db2.gz SPNAXUILHDLAKE-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249423 1292042115 /nfs/dbraw/zinc/04/21/15/1292042115.db2.gz PVOQELUPIMWIKD-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@@H+]1C ZINC001190237957 1292073575 /nfs/dbraw/zinc/07/35/75/1292073575.db2.gz GAAYHAVQAHBKHN-HZPDLVKASA-N 1 3 341.499 2.573 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C/C=C\c3ccccc3)C2)CC[N@H+]1C ZINC001190237957 1292073578 /nfs/dbraw/zinc/07/35/78/1292073578.db2.gz GAAYHAVQAHBKHN-HZPDLVKASA-N 1 3 341.499 2.573 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016652330 1312904570 /nfs/dbraw/zinc/90/45/70/1312904570.db2.gz RODYFGMBCAMGME-FXIPVCQGSA-N 1 3 339.911 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016652330 1312904574 /nfs/dbraw/zinc/90/45/74/1312904574.db2.gz RODYFGMBCAMGME-FXIPVCQGSA-N 1 3 339.911 2.584 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478541 1312907026 /nfs/dbraw/zinc/90/70/26/1312907026.db2.gz PLFNZUMMFZMAFD-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478541 1312907027 /nfs/dbraw/zinc/90/70/27/1312907027.db2.gz PLFNZUMMFZMAFD-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO COc1ccc([C@@H]2CN(CCCCn3ccnc3C)CC[NH2+]2)cc1 ZINC000879521630 1292170174 /nfs/dbraw/zinc/17/01/74/1292170174.db2.gz XVTNURAEYYVZMV-IBGZPJMESA-N 1 3 328.460 2.627 20 0 EFADHO CN1CCN(C2CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000879591954 1292198611 /nfs/dbraw/zinc/19/86/11/1292198611.db2.gz VOIGIJSGHISMIM-UHFFFAOYSA-N 1 3 337.508 2.630 20 0 EFADHO CCc1nc(C(C)C)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879594503 1292200535 /nfs/dbraw/zinc/20/05/35/1292200535.db2.gz KNQWCHLPCCGZSV-UHFFFAOYSA-N 1 3 344.547 2.979 20 0 EFADHO CN1CCN(C2CC[NH+](CCc3nsc4ccccc43)CC2)CC1 ZINC000879594374 1292200925 /nfs/dbraw/zinc/20/09/25/1292200925.db2.gz GYFGEUMUTOOYFF-UHFFFAOYSA-N 1 3 344.528 2.551 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)C/C=C/c3ccccc3)C2)CCC1 ZINC001190646124 1292262926 /nfs/dbraw/zinc/26/29/26/1292262926.db2.gz XNGYQSGZBUMJCP-BQHJZSHBSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C/c3ccccc3)C2)CCC1 ZINC001190646124 1292262932 /nfs/dbraw/zinc/26/29/32/1292262932.db2.gz XNGYQSGZBUMJCP-BQHJZSHBSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCCc3ccccc3)C2)CCC1 ZINC001190646384 1292264068 /nfs/dbraw/zinc/26/40/68/1292264068.db2.gz YBPJAPQXTYOKCS-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCCc3ccccc3)C2)CCC1 ZINC001190646384 1292264077 /nfs/dbraw/zinc/26/40/77/1292264077.db2.gz YBPJAPQXTYOKCS-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656922 1292271668 /nfs/dbraw/zinc/27/16/68/1292271668.db2.gz XYWTYUUOMIPOAG-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656922 1292271677 /nfs/dbraw/zinc/27/16/77/1292271677.db2.gz XYWTYUUOMIPOAG-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049487273 1312915063 /nfs/dbraw/zinc/91/50/63/1312915063.db2.gz SOSIHYLCMIPKNV-DDBAPUKQSA-N 1 3 347.528 2.654 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049487273 1312915065 /nfs/dbraw/zinc/91/50/65/1312915065.db2.gz SOSIHYLCMIPKNV-DDBAPUKQSA-N 1 3 347.528 2.654 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C1)N(C)C ZINC001190897989 1292370349 /nfs/dbraw/zinc/37/03/49/1292370349.db2.gz AKFWDSZWEHCJFK-RBUKOAKNSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C1)N(C)C ZINC001190897989 1292370363 /nfs/dbraw/zinc/37/03/63/1292370363.db2.gz AKFWDSZWEHCJFK-RBUKOAKNSA-N 1 3 349.494 2.631 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191020532 1292429579 /nfs/dbraw/zinc/42/95/79/1292429579.db2.gz XOUKRIWRSTWRQK-QTJNJRLBSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001191020532 1292429583 /nfs/dbraw/zinc/42/95/83/1292429583.db2.gz XOUKRIWRSTWRQK-QTJNJRLBSA-N 1 3 343.515 2.963 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C1 ZINC001191029450 1292432647 /nfs/dbraw/zinc/43/26/47/1292432647.db2.gz IORGAVUOASURTL-LJQANCHMSA-N 1 3 345.531 2.801 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001191029450 1292432652 /nfs/dbraw/zinc/43/26/52/1292432652.db2.gz IORGAVUOASURTL-LJQANCHMSA-N 1 3 345.531 2.801 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049502075 1312933696 /nfs/dbraw/zinc/93/36/96/1312933696.db2.gz BAZBJVRLBTUJCX-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)C ZINC001049502075 1312933701 /nfs/dbraw/zinc/93/37/01/1312933701.db2.gz BAZBJVRLBTUJCX-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049505666 1312938779 /nfs/dbraw/zinc/93/87/79/1312938779.db2.gz RLXBNQOZMBJDJQ-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049505666 1312938782 /nfs/dbraw/zinc/93/87/82/1312938782.db2.gz RLXBNQOZMBJDJQ-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001049504508 1312936152 /nfs/dbraw/zinc/93/61/52/1312936152.db2.gz HECOTCXRJLOMBD-IPMKNSEASA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC=C(C)C ZINC001049504508 1312936156 /nfs/dbraw/zinc/93/61/56/1312936156.db2.gz HECOTCXRJLOMBD-IPMKNSEASA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049505663 1312938550 /nfs/dbraw/zinc/93/85/50/1312938550.db2.gz RLXBNQOZMBJDJQ-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049505663 1312938552 /nfs/dbraw/zinc/93/85/52/1312938552.db2.gz RLXBNQOZMBJDJQ-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203508543 1312942005 /nfs/dbraw/zinc/94/20/05/1312942005.db2.gz YXSJDRDLPZBGSN-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203513821 1312942377 /nfs/dbraw/zinc/94/23/77/1312942377.db2.gz IHMUJVYJDCAWPY-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203515307 1312943153 /nfs/dbraw/zinc/94/31/53/1312943153.db2.gz RVOOPRMZAIIIFV-QZTJIDSGSA-N 1 3 333.520 2.846 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203516655 1312943547 /nfs/dbraw/zinc/94/35/47/1312943547.db2.gz ZQPZJHIOHRPSAX-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203520727 1312944788 /nfs/dbraw/zinc/94/47/88/1312944788.db2.gz HMYRPVXWVDJXJV-IRXDYDNUSA-N 1 3 349.544 2.649 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203520342 1312944989 /nfs/dbraw/zinc/94/49/89/1312944989.db2.gz FNGGFZKIUQGZEO-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203522748 1312945393 /nfs/dbraw/zinc/94/53/93/1312945393.db2.gz OCXJSPSNIRUJKQ-IAGOWNOFSA-N 1 3 349.544 2.915 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192027971 1292753846 /nfs/dbraw/zinc/75/38/46/1292753846.db2.gz BTSUOJXSRQLZBQ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001192198622 1292816395 /nfs/dbraw/zinc/81/63/95/1292816395.db2.gz SZZLASSWLXYMIQ-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001192198622 1292816411 /nfs/dbraw/zinc/81/64/11/1292816411.db2.gz SZZLASSWLXYMIQ-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1)[NH+](CC)CC ZINC001192327290 1292869538 /nfs/dbraw/zinc/86/95/38/1292869538.db2.gz ZGUKLYGQXMBFBF-RTBURBONSA-N 1 3 349.494 2.979 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192343232 1292877610 /nfs/dbraw/zinc/87/76/10/1292877610.db2.gz NUEPATZSQQHTBM-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192343232 1292877628 /nfs/dbraw/zinc/87/76/28/1292877628.db2.gz NUEPATZSQQHTBM-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1)CC(C)(C)C ZINC001192386514 1292885044 /nfs/dbraw/zinc/88/50/44/1292885044.db2.gz PSAIHLLPFAVCNW-IBGZPJMESA-N 1 3 345.531 2.740 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1)CC(C)(C)C ZINC001192386514 1292885062 /nfs/dbraw/zinc/88/50/62/1292885062.db2.gz PSAIHLLPFAVCNW-IBGZPJMESA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001192387189 1292885469 /nfs/dbraw/zinc/88/54/69/1292885469.db2.gz VLXICUHXPWGVDP-KSEZFFFOSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001192387189 1292885496 /nfs/dbraw/zinc/88/54/96/1292885496.db2.gz VLXICUHXPWGVDP-KSEZFFFOSA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016761957 1312964008 /nfs/dbraw/zinc/96/40/08/1312964008.db2.gz SXVPHONZFBUMLI-QGZVFWFLSA-N 1 3 333.520 2.798 20 0 EFADHO Fc1cccnc1CN1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276341007 1292941505 /nfs/dbraw/zinc/94/15/05/1292941505.db2.gz AJRVUWCCGWOEQP-IYBDPMFKSA-N 1 3 328.435 2.893 20 0 EFADHO Fc1cccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276341007 1292941514 /nfs/dbraw/zinc/94/15/14/1292941514.db2.gz AJRVUWCCGWOEQP-IYBDPMFKSA-N 1 3 328.435 2.893 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2)[NH+]1CCCC1 ZINC001016762299 1312964713 /nfs/dbraw/zinc/96/47/13/1312964713.db2.gz YLQWCUNSNBKCLC-PXTSUWAFSA-N 1 3 339.911 2.584 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CCN(C/C=C\Cl)CC2)[NH+]1CCCC1 ZINC001016762298 1312964727 /nfs/dbraw/zinc/96/47/27/1312964727.db2.gz YLQWCUNSNBKCLC-KKTNHOPESA-N 1 3 339.911 2.584 20 0 EFADHO Cc1nc(Cl)c(CCN2CC[C@H](C)[C@@H](C[NH3+])CC2)c(Cl)n1 ZINC001205604786 1292980128 /nfs/dbraw/zinc/98/01/28/1292980128.db2.gz XBPWIZKHPPQIDW-CMPLNLGQSA-N 1 3 331.291 2.941 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001192947350 1293107122 /nfs/dbraw/zinc/10/71/22/1293107122.db2.gz HYZZHZOOJTWSEE-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001192947350 1293107126 /nfs/dbraw/zinc/10/71/26/1293107126.db2.gz HYZZHZOOJTWSEE-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001192946705 1293107310 /nfs/dbraw/zinc/10/73/10/1293107310.db2.gz DXRCGVBQHOQAHZ-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001192946705 1293107314 /nfs/dbraw/zinc/10/73/14/1293107314.db2.gz DXRCGVBQHOQAHZ-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203652367 1312981951 /nfs/dbraw/zinc/98/19/51/1312981951.db2.gz UEFSUDDMNGYSHU-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001192948810 1293108321 /nfs/dbraw/zinc/10/83/21/1293108321.db2.gz VCGPKUQHFPFPLP-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001192948810 1293108325 /nfs/dbraw/zinc/10/83/25/1293108325.db2.gz VCGPKUQHFPFPLP-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001192948809 1293108916 /nfs/dbraw/zinc/10/89/16/1293108916.db2.gz VCGPKUQHFPFPLP-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(C)c2)C1 ZINC001192948809 1293108920 /nfs/dbraw/zinc/10/89/20/1293108920.db2.gz VCGPKUQHFPFPLP-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001192969052 1293126240 /nfs/dbraw/zinc/12/62/40/1293126240.db2.gz GGGGASRGFFBENB-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001192969052 1293126241 /nfs/dbraw/zinc/12/62/41/1293126241.db2.gz GGGGASRGFFBENB-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001192969956 1293127067 /nfs/dbraw/zinc/12/70/67/1293127067.db2.gz OPUGMZOSYAKEMO-PKOBYXMFSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001192969956 1293127071 /nfs/dbraw/zinc/12/70/71/1293127071.db2.gz OPUGMZOSYAKEMO-PKOBYXMFSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001192970162 1293127257 /nfs/dbraw/zinc/12/72/57/1293127257.db2.gz QAYXBZFZVFRBBX-CXOXVUTBSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001192970162 1293127259 /nfs/dbraw/zinc/12/72/59/1293127259.db2.gz QAYXBZFZVFRBBX-CXOXVUTBSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001192969918 1293127968 /nfs/dbraw/zinc/12/79/68/1293127968.db2.gz NJNCMTHFEZMBJW-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001192969918 1293127972 /nfs/dbraw/zinc/12/79/72/1293127972.db2.gz NJNCMTHFEZMBJW-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001193025442 1293144753 /nfs/dbraw/zinc/14/47/53/1293144753.db2.gz DZOAGQQSCNIGEL-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001193025442 1293144757 /nfs/dbraw/zinc/14/47/57/1293144757.db2.gz DZOAGQQSCNIGEL-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203650256 1312980311 /nfs/dbraw/zinc/98/03/11/1312980311.db2.gz FUVPBTZTSWDGOX-HOTGVXAUSA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203652303 1312981760 /nfs/dbraw/zinc/98/17/60/1312981760.db2.gz SYTQWLJIXNKXNN-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203652304 1312981893 /nfs/dbraw/zinc/98/18/93/1312981893.db2.gz SYTQWLJIXNKXNN-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203659420 1312982978 /nfs/dbraw/zinc/98/29/78/1312982978.db2.gz HLNUCRFSNRPTQD-MSOLQXFVSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203659214 1312983208 /nfs/dbraw/zinc/98/32/08/1312983208.db2.gz GVRAWKLEZWGWAI-CVEARBPZSA-N 1 3 332.492 2.714 20 0 EFADHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203708900 1312995371 /nfs/dbraw/zinc/99/53/71/1312995371.db2.gz RVTKVIHCITUZTG-SFHVURJKSA-N 1 3 330.472 2.844 20 0 EFADHO Cc1c(Br)cncc1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205637905 1293359082 /nfs/dbraw/zinc/35/90/82/1293359082.db2.gz JVLKRIJVXNUDEC-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819018 1312996277 /nfs/dbraw/zinc/99/62/77/1312996277.db2.gz INIFXWWRJODIDP-BEFAXECRSA-N 1 3 339.499 2.578 20 0 EFADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819669 1312996527 /nfs/dbraw/zinc/99/65/27/1312996527.db2.gz LTHHBTHJVCGEBN-DNVCBOLYSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001193621889 1293371908 /nfs/dbraw/zinc/37/19/08/1293371908.db2.gz JKHYJAWPEALDQW-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001193621889 1293371916 /nfs/dbraw/zinc/37/19/16/1293371916.db2.gz JKHYJAWPEALDQW-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)c(C)s1 ZINC001096544809 1312997078 /nfs/dbraw/zinc/99/70/78/1312997078.db2.gz NUCXGMKZXOSWMI-RANZSIQMSA-N 1 3 347.528 2.538 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)c(C)s1 ZINC001096544809 1312997083 /nfs/dbraw/zinc/99/70/83/1312997083.db2.gz NUCXGMKZXOSWMI-RANZSIQMSA-N 1 3 347.528 2.538 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001193642083 1293380739 /nfs/dbraw/zinc/38/07/39/1293380739.db2.gz LSHKBBYKGWPGFC-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001193642083 1293380749 /nfs/dbraw/zinc/38/07/49/1293380749.db2.gz LSHKBBYKGWPGFC-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001193642080 1293382171 /nfs/dbraw/zinc/38/21/71/1293382171.db2.gz LSHKBBYKGWPGFC-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001193642080 1293382178 /nfs/dbraw/zinc/38/21/78/1293382178.db2.gz LSHKBBYKGWPGFC-HOTGVXAUSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193642957 1293382945 /nfs/dbraw/zinc/38/29/45/1293382945.db2.gz OUKOBJOPNGEDNO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001193642957 1293382953 /nfs/dbraw/zinc/38/29/53/1293382953.db2.gz OUKOBJOPNGEDNO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193643689 1293384527 /nfs/dbraw/zinc/38/45/27/1293384527.db2.gz YVBVZRSHIWNTSO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193643689 1293384535 /nfs/dbraw/zinc/38/45/35/1293384535.db2.gz YVBVZRSHIWNTSO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001193643520 1293386023 /nfs/dbraw/zinc/38/60/23/1293386023.db2.gz VQFGFIQIPBBJPM-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001193643520 1293386027 /nfs/dbraw/zinc/38/60/27/1293386027.db2.gz VQFGFIQIPBBJPM-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO COc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(C)c1C ZINC001203726625 1312999583 /nfs/dbraw/zinc/99/95/83/1312999583.db2.gz GWMUOEZPWLLUKN-UHFFFAOYSA-N 1 3 345.531 2.771 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016828456 1313000185 /nfs/dbraw/zinc/00/01/85/1313000185.db2.gz FVGBLIIMQZURHL-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CCCC2CCC2)CC3)C1 ZINC001016828102 1313000368 /nfs/dbraw/zinc/00/03/68/1313000368.db2.gz CLDIXSXDTBJXBH-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](Cc2ccsc2)CC3)C1 ZINC001016830110 1313001214 /nfs/dbraw/zinc/00/12/14/1313001214.db2.gz PZNXHARXMOSVLI-WBVHZDCISA-N 1 3 347.528 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016829191 1313001230 /nfs/dbraw/zinc/00/12/30/1313001230.db2.gz KQSSSEXOEBNTTH-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001194040867 1293510124 /nfs/dbraw/zinc/51/01/24/1293510124.db2.gz UAKRBCJGVQEABF-HXUWFJFHSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001194040867 1293510131 /nfs/dbraw/zinc/51/01/31/1293510131.db2.gz UAKRBCJGVQEABF-HXUWFJFHSA-N 1 3 343.515 2.556 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001194265857 1293575168 /nfs/dbraw/zinc/57/51/68/1293575168.db2.gz HINOKWBNKIOMLQ-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001194265857 1293575171 /nfs/dbraw/zinc/57/51/71/1293575171.db2.gz HINOKWBNKIOMLQ-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001194283491 1293586127 /nfs/dbraw/zinc/58/61/27/1293586127.db2.gz CFOKLKWDFBNRBX-QGZVFWFLSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001194283491 1293586133 /nfs/dbraw/zinc/58/61/33/1293586133.db2.gz CFOKLKWDFBNRBX-QGZVFWFLSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001194284018 1293586502 /nfs/dbraw/zinc/58/65/02/1293586502.db2.gz DXTGKBDQSXZSAV-FQEVSTJZSA-N 1 3 345.531 2.882 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001194284018 1293586508 /nfs/dbraw/zinc/58/65/08/1293586508.db2.gz DXTGKBDQSXZSAV-FQEVSTJZSA-N 1 3 345.531 2.882 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194283432 1293587337 /nfs/dbraw/zinc/58/73/37/1293587337.db2.gz AQDUZYDKQJYZRT-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194283432 1293587340 /nfs/dbraw/zinc/58/73/40/1293587340.db2.gz AQDUZYDKQJYZRT-IBGZPJMESA-N 1 3 331.504 2.676 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285491 1293588688 /nfs/dbraw/zinc/58/86/88/1293588688.db2.gz SJIGMSHOJNDGEA-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194285491 1293588691 /nfs/dbraw/zinc/58/86/91/1293588691.db2.gz SJIGMSHOJNDGEA-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285185 1293589098 /nfs/dbraw/zinc/58/90/98/1293589098.db2.gz QULBLGGIBOHDBH-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285185 1293589102 /nfs/dbraw/zinc/58/91/02/1293589102.db2.gz QULBLGGIBOHDBH-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC001194293416 1293590100 /nfs/dbraw/zinc/59/01/00/1293590100.db2.gz HKTSTMFHABTPBX-LJQANCHMSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC001194293416 1293590104 /nfs/dbraw/zinc/59/01/04/1293590104.db2.gz HKTSTMFHABTPBX-LJQANCHMSA-N 1 3 343.515 2.937 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001194293260 1293590442 /nfs/dbraw/zinc/59/04/42/1293590442.db2.gz FIVUHGNUWJBAGY-QGZVFWFLSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001194293260 1293590447 /nfs/dbraw/zinc/59/04/47/1293590447.db2.gz FIVUHGNUWJBAGY-QGZVFWFLSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295122 1293591479 /nfs/dbraw/zinc/59/14/79/1293591479.db2.gz PBFXFSGUVDJNSJ-PKOBYXMFSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295122 1293591483 /nfs/dbraw/zinc/59/14/83/1293591483.db2.gz PBFXFSGUVDJNSJ-PKOBYXMFSA-N 1 3 331.504 2.929 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001194293819 1293592861 /nfs/dbraw/zinc/59/28/61/1293592861.db2.gz JMSMAKZQLPOVSW-DNVCBOLYSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001194293819 1293592865 /nfs/dbraw/zinc/59/28/65/1293592865.db2.gz JMSMAKZQLPOVSW-DNVCBOLYSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001194296109 1293593313 /nfs/dbraw/zinc/59/33/13/1293593313.db2.gz WCYGSCGSILJQNF-GOSISDBHSA-N 1 3 342.487 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3cc[nH]c3c2)C1 ZINC001194296109 1293593315 /nfs/dbraw/zinc/59/33/15/1293593315.db2.gz WCYGSCGSILJQNF-GOSISDBHSA-N 1 3 342.487 2.541 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296271 1293593557 /nfs/dbraw/zinc/59/35/57/1293593557.db2.gz YVLPPHOXSRGVAX-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296271 1293593563 /nfs/dbraw/zinc/59/35/63/1293593563.db2.gz YVLPPHOXSRGVAX-LJQANCHMSA-N 1 3 331.504 2.622 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCNCCC12CCC2 ZINC000883459043 1293601660 /nfs/dbraw/zinc/60/16/60/1293601660.db2.gz HGZJBMJOZLEMPX-UHFFFAOYSA-N 1 3 331.460 2.632 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCNCCC12CCC2 ZINC000883459043 1293601663 /nfs/dbraw/zinc/60/16/63/1293601663.db2.gz HGZJBMJOZLEMPX-UHFFFAOYSA-N 1 3 331.460 2.632 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016859765 1313014250 /nfs/dbraw/zinc/01/42/50/1313014250.db2.gz CIAIQMFBOSXAQD-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCCC1 ZINC001016859646 1313014463 /nfs/dbraw/zinc/01/44/63/1313014463.db2.gz BUCMABLSFKDTCE-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203790925 1313016234 /nfs/dbraw/zinc/01/62/34/1313016234.db2.gz AJJSFTBOPRHQTE-ROUUACIJSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203791084 1313016491 /nfs/dbraw/zinc/01/64/91/1313016491.db2.gz CIHNFWUCRYXCBN-QZTJIDSGSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203791347 1313016566 /nfs/dbraw/zinc/01/65/66/1313016566.db2.gz HRIIBCRBRHYQGT-MSOLQXFVSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203791087 1313016732 /nfs/dbraw/zinc/01/67/32/1313016732.db2.gz CIIASOFHPZQKSZ-DLBZAZTESA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203792305 1313016995 /nfs/dbraw/zinc/01/69/95/1313016995.db2.gz OOVZMODSHGKBMZ-IAGOWNOFSA-N 1 3 349.544 2.648 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203792308 1313017236 /nfs/dbraw/zinc/01/72/36/1313017236.db2.gz OOVZMODSHGKBMZ-SJORKVTESA-N 1 3 349.544 2.648 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203794147 1313017991 /nfs/dbraw/zinc/01/79/91/1313017991.db2.gz UZTWAMCPINKWIL-JKSUJKDBSA-N 1 3 335.517 2.605 20 0 EFADHO CC(C)=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568087 1313029880 /nfs/dbraw/zinc/02/98/80/1313029880.db2.gz RHAAOVQTGOUQNY-ZWKOTPCHSA-N 1 3 331.504 2.646 20 0 EFADHO COc1cc(CN2CCC3(C2)CC[NH+](C)CC3)cc(OC)c1OC ZINC001203846276 1313031329 /nfs/dbraw/zinc/03/13/29/1313031329.db2.gz GEVYULLHKNKYHA-UHFFFAOYSA-N 1 3 334.460 2.630 20 0 EFADHO COc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1O ZINC001203865219 1313035569 /nfs/dbraw/zinc/03/55/69/1313035569.db2.gz FQVWGGJHRWBQHP-UHFFFAOYSA-N 1 3 348.487 2.725 20 0 EFADHO CC(C)CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203902247 1313044243 /nfs/dbraw/zinc/04/42/43/1313044243.db2.gz DVJZVUOTXDWKCC-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884186347 1294036577 /nfs/dbraw/zinc/03/65/77/1294036577.db2.gz XRLPJEOFVQKOCG-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884186347 1294036581 /nfs/dbraw/zinc/03/65/81/1294036581.db2.gz XRLPJEOFVQKOCG-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)CC3CC3)c2)CC1 ZINC000884204962 1294047951 /nfs/dbraw/zinc/04/79/51/1294047951.db2.gz IXWYWEYCTHOLNL-IBGZPJMESA-N 1 3 329.488 2.662 20 0 EFADHO N[C@@H](CC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000884204784 1294048195 /nfs/dbraw/zinc/04/81/95/1294048195.db2.gz FBEGVFVAOVIFJH-IBGZPJMESA-N 1 3 329.488 2.806 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203932862 1313050741 /nfs/dbraw/zinc/05/07/41/1313050741.db2.gz PNRQFVJZFIYSMW-MRXNPFEDSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001203925068 1313048310 /nfs/dbraw/zinc/04/83/10/1313048310.db2.gz JERNEUILAKFIDH-UHFFFAOYSA-N 1 3 343.515 2.596 20 0 EFADHO CCC/C=C/CCN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195893267 1294060680 /nfs/dbraw/zinc/06/06/80/1294060680.db2.gz CZQJOBIOARDWJT-YZPMEYCISA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C/CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195893267 1294060687 /nfs/dbraw/zinc/06/06/87/1294060687.db2.gz CZQJOBIOARDWJT-YZPMEYCISA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccccc1CCC[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203933353 1313050372 /nfs/dbraw/zinc/05/03/72/1313050372.db2.gz ZQJDULKRVXCEER-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009993 1294103270 /nfs/dbraw/zinc/10/32/70/1294103270.db2.gz IPMCXHUMFCQXGE-KRWDZBQOSA-N 1 3 329.504 2.781 20 0 EFADHO CCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196009993 1294103276 /nfs/dbraw/zinc/10/32/76/1294103276.db2.gz IPMCXHUMFCQXGE-KRWDZBQOSA-N 1 3 329.504 2.781 20 0 EFADHO C[C@@H](C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1)c1ccccc1 ZINC001276434821 1313064285 /nfs/dbraw/zinc/06/42/85/1313064285.db2.gz FRGRTNUIMNFZMJ-SFHVURJKSA-N 1 3 343.515 2.666 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCN(CCCCCF)CC1 ZINC001196619865 1294307356 /nfs/dbraw/zinc/30/73/56/1294307356.db2.gz NRRQOGBMTJKAMW-GOSISDBHSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983365 1313071030 /nfs/dbraw/zinc/07/10/30/1313071030.db2.gz RNALPNCQXQNYCG-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982835 1313071167 /nfs/dbraw/zinc/07/11/67/1313071167.db2.gz MEAZCMRLUGEJPN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001196970495 1294413684 /nfs/dbraw/zinc/41/36/84/1294413684.db2.gz HZUFUIJDKZWBIN-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)cc1C ZINC001196970425 1294414017 /nfs/dbraw/zinc/41/40/17/1294414017.db2.gz DGXKZFGXVLUGNF-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CN(CC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1)C1CCC1 ZINC000958791361 1294490374 /nfs/dbraw/zinc/49/03/74/1294490374.db2.gz QDQUMFQXRCLVFX-FQEVSTJZSA-N 1 3 341.499 2.596 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccnc4ccccc34)CC2)CC1 ZINC001204090657 1313079486 /nfs/dbraw/zinc/07/94/86/1313079486.db2.gz PZDLOTDOJVPEPS-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C(C)C)N(C)C ZINC000958798432 1294499208 /nfs/dbraw/zinc/49/92/08/1294499208.db2.gz FIIQXDRJKVBNEF-RTBURBONSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CC1 ZINC000958803271 1294504093 /nfs/dbraw/zinc/50/40/93/1294504093.db2.gz QEBLYCKEBILPEE-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1 ZINC000958803269 1294504132 /nfs/dbraw/zinc/50/41/32/1294504132.db2.gz QEBLYCKEBILPEE-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CCC[C@@H]1C ZINC000958803130 1294504609 /nfs/dbraw/zinc/50/46/09/1294504609.db2.gz MXUXYTVMRCSEGR-QFBILLFUSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114854466 1294537910 /nfs/dbraw/zinc/53/79/10/1294537910.db2.gz OTILLAGXOWIDGV-ZSYWTGECSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114854466 1294537918 /nfs/dbraw/zinc/53/79/18/1294537918.db2.gz OTILLAGXOWIDGV-ZSYWTGECSA-N 1 3 335.536 2.734 20 0 EFADHO COc1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)ccc1O ZINC001204111929 1313083417 /nfs/dbraw/zinc/08/34/17/1313083417.db2.gz IHBGRPJDSUQNII-UHFFFAOYSA-N 1 3 348.487 2.725 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCCNCc1ccc(F)c(Cl)c1 ZINC001152339820 1294566206 /nfs/dbraw/zinc/56/62/06/1294566206.db2.gz BYVDUEWSMWFREC-UHFFFAOYSA-N 1 3 341.858 2.561 20 0 EFADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC001276442752 1313085738 /nfs/dbraw/zinc/08/57/38/1313085738.db2.gz FTHJHLMVUNJRAC-SFHVURJKSA-N 1 3 332.492 2.657 20 0 EFADHO C(C1CCCC1)N1CCC([NH2+][C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885953676 1294585919 /nfs/dbraw/zinc/58/59/19/1294585919.db2.gz CPJQSFBRJMWESF-IBGZPJMESA-N 1 3 336.520 2.959 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610991 1313086411 /nfs/dbraw/zinc/08/64/11/1313086411.db2.gz DAPJHUJMFXYPSK-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001049610991 1313086415 /nfs/dbraw/zinc/08/64/15/1313086415.db2.gz DAPJHUJMFXYPSK-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](COCc1ccccc1)C[NH+]1CCC(N(C)CCCO)CC1 ZINC000886013200 1294621556 /nfs/dbraw/zinc/62/15/56/1294621556.db2.gz YHDPKCFWQLKLLG-GOSISDBHSA-N 1 3 334.504 2.618 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006399378 1294696622 /nfs/dbraw/zinc/69/66/22/1294696622.db2.gz JIHYINMPVXWBST-QGZVFWFLSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006399378 1294696628 /nfs/dbraw/zinc/69/66/28/1294696628.db2.gz JIHYINMPVXWBST-QGZVFWFLSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006399376 1294697147 /nfs/dbraw/zinc/69/71/47/1294697147.db2.gz JIHYINMPVXWBST-KRWDZBQOSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001006399376 1294697156 /nfs/dbraw/zinc/69/71/56/1294697156.db2.gz JIHYINMPVXWBST-KRWDZBQOSA-N 1 3 347.478 2.509 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886131810 1294719111 /nfs/dbraw/zinc/71/91/11/1294719111.db2.gz HYRIRJNJAWUJBC-LJQANCHMSA-N 1 3 349.563 2.685 20 0 EFADHO CC1(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)CCOCC1 ZINC001276449164 1313104663 /nfs/dbraw/zinc/10/46/63/1313104663.db2.gz YLBXFSRIPOGSRK-UHFFFAOYSA-N 1 3 332.492 2.514 20 0 EFADHO Cc1cc(C[NH2+]CCNC(=O)c2ccccc2CN(C)C)c(C)s1 ZINC001152384828 1294827456 /nfs/dbraw/zinc/82/74/56/1294827456.db2.gz ZHHBURAJBLZTEK-UHFFFAOYSA-N 1 3 345.512 2.946 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001152393457 1294864241 /nfs/dbraw/zinc/86/42/41/1294864241.db2.gz OUKXXIIJVAHWNB-UHFFFAOYSA-N 1 3 329.488 2.958 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629639 1313109199 /nfs/dbraw/zinc/10/91/99/1313109199.db2.gz LIDIHLDEANHQAP-OKZBNKHCSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629639 1313109202 /nfs/dbraw/zinc/10/92/02/1313109202.db2.gz LIDIHLDEANHQAP-OKZBNKHCSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629632 1313109620 /nfs/dbraw/zinc/10/96/20/1313109620.db2.gz LIDIHLDEANHQAP-BZSNNMDCSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629632 1313109623 /nfs/dbraw/zinc/10/96/23/1313109623.db2.gz LIDIHLDEANHQAP-BZSNNMDCSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001198221641 1294928643 /nfs/dbraw/zinc/92/86/43/1294928643.db2.gz LGSUINFLRXMZES-CALCHBBNSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001198221641 1294928652 /nfs/dbraw/zinc/92/86/52/1294928652.db2.gz LGSUINFLRXMZES-CALCHBBNSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001198221641 1294928661 /nfs/dbraw/zinc/92/86/61/1294928661.db2.gz LGSUINFLRXMZES-CALCHBBNSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001198221641 1294928670 /nfs/dbraw/zinc/92/86/70/1294928670.db2.gz LGSUINFLRXMZES-CALCHBBNSA-N 1 3 327.488 2.533 20 0 EFADHO CC1([NH+]2CCCC2)CCC(N[C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000886643127 1295084645 /nfs/dbraw/zinc/08/46/45/1295084645.db2.gz LQTQYSDBWLLVRN-KGXSXCIVSA-N 1 3 327.472 2.937 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198752744 1295232753 /nfs/dbraw/zinc/23/27/53/1295232753.db2.gz URMRYLXEWXULIC-MSOLQXFVSA-N 1 3 347.503 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198752744 1295232759 /nfs/dbraw/zinc/23/27/59/1295232759.db2.gz URMRYLXEWXULIC-MSOLQXFVSA-N 1 3 347.503 2.725 20 0 EFADHO CCCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198759796 1295237026 /nfs/dbraw/zinc/23/70/26/1295237026.db2.gz MVRPAOANINZHNY-WMZOPIPTSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198759796 1295237033 /nfs/dbraw/zinc/23/70/33/1295237033.db2.gz MVRPAOANINZHNY-WMZOPIPTSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1OC)N(C)C ZINC001198776429 1295247166 /nfs/dbraw/zinc/24/71/66/1295247166.db2.gz RCOHEPHINPWVHN-ZWKOTPCHSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017069872 1313138111 /nfs/dbraw/zinc/13/81/11/1313138111.db2.gz BMKKRZDYRWRXLM-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017069872 1313138112 /nfs/dbraw/zinc/13/81/12/1313138112.db2.gz BMKKRZDYRWRXLM-WBVHZDCISA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001017071387 1313139646 /nfs/dbraw/zinc/13/96/46/1313139646.db2.gz LWALVOMYJJKHFN-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001017071387 1313139650 /nfs/dbraw/zinc/13/96/50/1313139650.db2.gz LWALVOMYJJKHFN-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCN[C@H](CNC(=O)CC1([NH+](C)C)CCCC1)c1ccccc1OC ZINC001198805970 1295270420 /nfs/dbraw/zinc/27/04/20/1295270420.db2.gz NXGJVOGIPWLKIV-QGZVFWFLSA-N 1 3 347.503 2.727 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071425 1313139875 /nfs/dbraw/zinc/13/98/75/1313139875.db2.gz MKNVNDLSRMERKE-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071425 1313139878 /nfs/dbraw/zinc/13/98/78/1313139878.db2.gz MKNVNDLSRMERKE-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001017071382 1313140206 /nfs/dbraw/zinc/14/02/06/1313140206.db2.gz LWALVOMYJJKHFN-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001017071382 1313140207 /nfs/dbraw/zinc/14/02/07/1313140207.db2.gz LWALVOMYJJKHFN-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134998 1295288247 /nfs/dbraw/zinc/28/82/47/1295288247.db2.gz UERLENNXRZMOFJ-QKLQHJQFSA-N 1 3 325.456 2.757 20 0 EFADHO CCCCC[NH2+][C@H](CNC(=O)[C@H](CC)N(C)C)c1ccccc1OC ZINC001198902139 1295302167 /nfs/dbraw/zinc/30/21/67/1295302167.db2.gz GJIGHCXJNWZMFI-MSOLQXFVSA-N 1 3 349.519 2.973 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000415143480 1295303962 /nfs/dbraw/zinc/30/39/62/1295303962.db2.gz SQABLFUOKCKVTM-NRFANRHFSA-N 1 3 342.531 2.547 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CN1CCC[C@H]1C)[NH2+]CC(C)C ZINC001198902753 1295304411 /nfs/dbraw/zinc/30/44/11/1295304411.db2.gz OKGTYEKGOMWMBT-AEFFLSMTSA-N 1 3 347.503 2.582 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1ccccc1OC ZINC001198903207 1295306729 /nfs/dbraw/zinc/30/67/29/1295306729.db2.gz WRNFYXZDELBFEG-AEFFLSMTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC001198867162 1295307888 /nfs/dbraw/zinc/30/78/88/1295307888.db2.gz XVZUUACUSCIULM-XYJFISCASA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC001198867162 1295307898 /nfs/dbraw/zinc/30/78/98/1295307898.db2.gz XVZUUACUSCIULM-XYJFISCASA-N 1 3 347.503 2.582 20 0 EFADHO CCCCCN[C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886058 1295320585 /nfs/dbraw/zinc/32/05/85/1295320585.db2.gz YACNTEQKRCQNLI-QGZVFWFLSA-N 1 3 335.492 2.584 20 0 EFADHO CCN[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1OC ZINC001198924901 1295334392 /nfs/dbraw/zinc/33/43/92/1295334392.db2.gz NZKFBXTWQQLCCD-MSOLQXFVSA-N 1 3 347.503 2.725 20 0 EFADHO CCN[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1OC ZINC001198924901 1295334401 /nfs/dbraw/zinc/33/44/01/1295334401.db2.gz NZKFBXTWQQLCCD-MSOLQXFVSA-N 1 3 347.503 2.725 20 0 EFADHO CCN(CC)CC(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC001198939160 1295342863 /nfs/dbraw/zinc/34/28/63/1295342863.db2.gz HBTQQNAZEQGJGI-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC001198938943 1295343150 /nfs/dbraw/zinc/34/31/50/1295343150.db2.gz FLKWLEOGWQMPQO-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](NCCC1CC1)c1ccccc1OC ZINC001198953574 1295353804 /nfs/dbraw/zinc/35/38/04/1295353804.db2.gz QKAHXUPUVIDAMT-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](NCCC1CC1)c1ccccc1OC ZINC001198953574 1295353812 /nfs/dbraw/zinc/35/38/12/1295353812.db2.gz QKAHXUPUVIDAMT-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CC[C@H](C)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198994212 1295392161 /nfs/dbraw/zinc/39/21/61/1295392161.db2.gz VYPSKQHEGZEWDW-FUHWJXTLSA-N 1 3 349.519 2.828 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472923 1313163073 /nfs/dbraw/zinc/16/30/73/1313163073.db2.gz RXGMJLWGQVVZGJ-LWYYNNOASA-N 1 3 347.547 2.711 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472923 1313163075 /nfs/dbraw/zinc/16/30/75/1313163075.db2.gz RXGMJLWGQVVZGJ-LWYYNNOASA-N 1 3 347.547 2.711 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001234641469 1313175720 /nfs/dbraw/zinc/17/57/20/1313175720.db2.gz DHVJUNZKXMMLHD-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001234641469 1313175723 /nfs/dbraw/zinc/17/57/23/1313175723.db2.gz DHVJUNZKXMMLHD-ZWKOTPCHSA-N 1 3 341.515 2.779 20 0 EFADHO Fc1cccc(C2CCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1F ZINC000903763208 1313177794 /nfs/dbraw/zinc/17/77/94/1313177794.db2.gz IMQHBHMVWHNVCJ-DNVCBOLYSA-N 1 3 336.426 2.913 20 0 EFADHO Fc1cccc(C2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1F ZINC000903763210 1313177940 /nfs/dbraw/zinc/17/79/40/1313177940.db2.gz IMQHBHMVWHNVCJ-KXBFYZLASA-N 1 3 336.426 2.913 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001199788456 1295752059 /nfs/dbraw/zinc/75/20/59/1295752059.db2.gz QPXBXPBKWFIOCE-URZUPRTMSA-N 1 3 341.499 2.765 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001204798297 1313196466 /nfs/dbraw/zinc/19/64/66/1313196466.db2.gz GZVNOPUOUIRWDY-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001017143730 1313199407 /nfs/dbraw/zinc/19/94/07/1313199407.db2.gz YSNVUWQGDGCIPP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CCC1 ZINC001017143730 1313199409 /nfs/dbraw/zinc/19/94/09/1313199409.db2.gz YSNVUWQGDGCIPP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142785 1313199518 /nfs/dbraw/zinc/19/95/18/1313199518.db2.gz PMHPTYDDGMNAKA-CRAIPNDOSA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142785 1313199519 /nfs/dbraw/zinc/19/95/19/1313199519.db2.gz PMHPTYDDGMNAKA-CRAIPNDOSA-N 1 3 349.544 2.759 20 0 EFADHO COCCN(Cc1ccc(C)cc1C)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903783812 1313207612 /nfs/dbraw/zinc/20/76/12/1313207612.db2.gz DPQVWAURRKKDTG-FQEVSTJZSA-N 1 3 346.515 2.911 20 0 EFADHO Fc1cccc(F)c1[C@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783772 1313207853 /nfs/dbraw/zinc/20/78/53/1313207853.db2.gz CHTPGJLQRKJSPW-LSDHHAIUSA-N 1 3 336.426 2.913 20 0 EFADHO Fc1cccc(F)c1[C@@H]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783769 1313207867 /nfs/dbraw/zinc/20/78/67/1313207867.db2.gz CHTPGJLQRKJSPW-CABCVRRESA-N 1 3 336.426 2.913 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037247508 1296061591 /nfs/dbraw/zinc/06/15/91/1296061591.db2.gz PMTYSMBAGDRMFZ-SJORKVTESA-N 1 3 346.519 2.961 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC000959848638 1296137755 /nfs/dbraw/zinc/13/77/55/1296137755.db2.gz JYZDIPUNPUEBDY-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000959848638 1296137758 /nfs/dbraw/zinc/13/77/58/1296137758.db2.gz JYZDIPUNPUEBDY-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000903792460 1313220957 /nfs/dbraw/zinc/22/09/57/1313220957.db2.gz BKIWMOMEEYLDOG-HXUWFJFHSA-N 1 3 349.478 2.932 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cc(CO)ccc2F)CC1 ZINC000903793848 1313224372 /nfs/dbraw/zinc/22/43/72/1313224372.db2.gz VUVMUOQNCBHMEI-UHFFFAOYSA-N 1 3 328.431 2.811 20 0 EFADHO CCSCCN1CCC[C@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277916583 1313224950 /nfs/dbraw/zinc/22/49/50/1313224950.db2.gz KZLKCTKRKQLNRZ-SFHVURJKSA-N 1 3 336.549 2.814 20 0 EFADHO CCSCCN1CCC[C@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277916583 1313224952 /nfs/dbraw/zinc/22/49/52/1313224952.db2.gz KZLKCTKRKQLNRZ-SFHVURJKSA-N 1 3 336.549 2.814 20 0 EFADHO CCC[C@H](C)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794548 1313224961 /nfs/dbraw/zinc/22/49/61/1313224961.db2.gz ZGAAQZPLYZLEAH-IRXDYDNUSA-N 1 3 331.504 2.672 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21)[NH+]1CCCCC1 ZINC000959892769 1296201049 /nfs/dbraw/zinc/20/10/49/1296201049.db2.gz IKBAFWWSALTTHL-FVQHAEBGSA-N 1 3 347.528 2.559 20 0 EFADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@H]3CCC=CO3)CC2)C1 ZINC001274892603 1296209953 /nfs/dbraw/zinc/20/99/53/1296209953.db2.gz DKMLFFKZBKHQLQ-GOSISDBHSA-N 1 3 330.476 2.780 20 0 EFADHO CNc1ncc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)s1 ZINC001235092576 1313240675 /nfs/dbraw/zinc/24/06/75/1313240675.db2.gz WQPQINFNTMIKFG-UHFFFAOYSA-N 1 3 328.485 2.822 20 0 EFADHO Cc1ccc2c(c1)CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001205164943 1313243933 /nfs/dbraw/zinc/24/39/33/1313243933.db2.gz XKNKQDCCZJYTSO-UHFFFAOYSA-N 1 3 335.495 2.959 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC000960045018 1296400092 /nfs/dbraw/zinc/40/00/92/1296400092.db2.gz WOHUMIHVJLIWNV-YSIASYRMSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017200578 1313254406 /nfs/dbraw/zinc/25/44/06/1313254406.db2.gz AZQDUZNCNCTGHX-WOJBJXKFSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017200578 1313254408 /nfs/dbraw/zinc/25/44/08/1313254408.db2.gz AZQDUZNCNCTGHX-WOJBJXKFSA-N 1 3 345.531 2.943 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC000960092301 1296446650 /nfs/dbraw/zinc/44/66/50/1296446650.db2.gz OHCFDHGMVULXOP-TXPKVOOTSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC000960129917 1296489774 /nfs/dbraw/zinc/48/97/74/1296489774.db2.gz AMWLZXCDWABWLI-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000960132739 1296493434 /nfs/dbraw/zinc/49/34/34/1296493434.db2.gz ZTRSXJJSTFUYNH-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC000960138011 1296498429 /nfs/dbraw/zinc/49/84/29/1296498429.db2.gz YVYUSRDHADTONL-WMZOPIPTSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC000960137323 1296498817 /nfs/dbraw/zinc/49/88/17/1296498817.db2.gz RMYJCUCDCPQIKI-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000960150222 1296512270 /nfs/dbraw/zinc/51/22/70/1296512270.db2.gz ISMLBKHDUPKXEB-IBGZPJMESA-N 1 3 340.471 2.686 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000960150810 1296513114 /nfs/dbraw/zinc/51/31/14/1296513114.db2.gz OTJOSGDGPNAYDX-HKUYNNGSSA-N 1 3 338.455 2.610 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017208437 1313265627 /nfs/dbraw/zinc/26/56/27/1313265627.db2.gz HHHPEGPVMIWFKU-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017208437 1313265631 /nfs/dbraw/zinc/26/56/31/1313265631.db2.gz HHHPEGPVMIWFKU-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208383 1313265705 /nfs/dbraw/zinc/26/57/05/1313265705.db2.gz FYZPCAIEBOZRBO-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208383 1313265710 /nfs/dbraw/zinc/26/57/10/1313265710.db2.gz FYZPCAIEBOZRBO-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC000960152217 1296517912 /nfs/dbraw/zinc/51/79/12/1296517912.db2.gz XHPVEVUPXWOYGI-SFHVURJKSA-N 1 3 344.503 2.893 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001017209109 1313266347 /nfs/dbraw/zinc/26/63/47/1313266347.db2.gz LQNQWIBZCIVBPP-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001017209109 1313266350 /nfs/dbraw/zinc/26/63/50/1313266350.db2.gz LQNQWIBZCIVBPP-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccsc3)C2)C1 ZINC001017209603 1313266862 /nfs/dbraw/zinc/26/68/62/1313266862.db2.gz RCMRSUNFYGUENI-IRXDYDNUSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)C1 ZINC001017209603 1313266867 /nfs/dbraw/zinc/26/68/67/1313266867.db2.gz RCMRSUNFYGUENI-IRXDYDNUSA-N 1 3 349.544 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017211559 1313268038 /nfs/dbraw/zinc/26/80/38/1313268038.db2.gz JYHNHZDGJFBUMJ-HOCLYGCPSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017211559 1313268042 /nfs/dbraw/zinc/26/80/42/1313268042.db2.gz JYHNHZDGJFBUMJ-HOCLYGCPSA-N 1 3 345.478 2.542 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC000960171149 1296536697 /nfs/dbraw/zinc/53/66/97/1296536697.db2.gz ZCJKFJBGWFNUPK-ACBHZAAOSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017210677 1313268157 /nfs/dbraw/zinc/26/81/57/1313268157.db2.gz BDDSNVUBZHLFHP-OALUTQOASA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001017210677 1313268161 /nfs/dbraw/zinc/26/81/61/1313268161.db2.gz BDDSNVUBZHLFHP-OALUTQOASA-N 1 3 335.536 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH2+]C(C)C)C1 ZINC001205318752 1313269264 /nfs/dbraw/zinc/26/92/64/1313269264.db2.gz PZYGCHDLMOPWLW-RBUKOAKNSA-N 1 3 349.494 2.850 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)C1CCC1 ZINC001201067124 1296548294 /nfs/dbraw/zinc/54/82/94/1296548294.db2.gz XGSUQXPKJWQFPE-RMKNXTFCSA-N 1 3 341.499 2.765 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc1OC ZINC001235243350 1313272386 /nfs/dbraw/zinc/27/23/86/1313272386.db2.gz XAMQAVGKTAXYQU-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO Cc1ccncc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276197960 1296646868 /nfs/dbraw/zinc/64/68/68/1296646868.db2.gz SJICWWNUZIVWKW-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ccncc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276197960 1296646881 /nfs/dbraw/zinc/64/68/81/1296646881.db2.gz SJICWWNUZIVWKW-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC000960272370 1296683990 /nfs/dbraw/zinc/68/39/90/1296683990.db2.gz AOBLPVHBPWYVQQ-VAMGGRTRSA-N 1 3 341.499 2.643 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC=C(Cl)Cl)CC2)CCC1 ZINC001205457596 1313292930 /nfs/dbraw/zinc/29/29/30/1313292930.db2.gz GQJOHQRGSGQGCI-UHFFFAOYSA-N 1 3 348.318 2.618 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CCCC3CCC3)CC2)CCC1 ZINC001205457734 1313293229 /nfs/dbraw/zinc/29/32/29/1313293229.db2.gz NBYATEGMJLXWOD-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461566 1313293620 /nfs/dbraw/zinc/29/36/20/1313293620.db2.gz NQWLWBFGOYFJJM-LPHOPBHVSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001235335637 1313293647 /nfs/dbraw/zinc/29/36/47/1313293647.db2.gz LYGNCAHYRHOBCY-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C[C@H]1CCN1CCCCCF ZINC001235335637 1313293648 /nfs/dbraw/zinc/29/36/48/1313293648.db2.gz LYGNCAHYRHOBCY-ZWKOTPCHSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1)N1CCCC1 ZINC000960295542 1296712822 /nfs/dbraw/zinc/71/28/22/1296712822.db2.gz IRQBJDHBVUNNBC-RTBURBONSA-N 1 3 341.499 2.643 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000353476812 1313294355 /nfs/dbraw/zinc/29/43/55/1313294355.db2.gz ZJIXIUGNESEOCV-VAMGGRTRSA-N 1 3 341.499 2.575 20 0 EFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353463031 1313294482 /nfs/dbraw/zinc/29/44/82/1313294482.db2.gz UZQWZWPFNRYFBE-SLFFLAALSA-N 1 3 341.499 2.575 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001201321599 1296725658 /nfs/dbraw/zinc/72/56/58/1296725658.db2.gz QHWCOOGALJPACW-UHFFFAOYSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001201320938 1296726255 /nfs/dbraw/zinc/72/62/55/1296726255.db2.gz CEZWXCJAEQDUTH-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001201321839 1296727899 /nfs/dbraw/zinc/72/78/99/1296727899.db2.gz XDJPMAIHIHONRK-UHFFFAOYSA-N 1 3 335.467 2.637 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355200 1313299478 /nfs/dbraw/zinc/29/94/78/1313299478.db2.gz PVEKDJRHGIZMRE-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355200 1313299481 /nfs/dbraw/zinc/29/94/81/1313299481.db2.gz PVEKDJRHGIZMRE-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO Clc1cccc2[nH]cc(CN3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)c21 ZINC001235368356 1313303717 /nfs/dbraw/zinc/30/37/17/1313303717.db2.gz MTWMXYBAUYGIIB-HBUWYVDXSA-N 1 3 331.847 2.774 20 0 EFADHO NC[C@]12CC[C@H]1CC[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858598 1313305343 /nfs/dbraw/zinc/30/53/43/1313305343.db2.gz YZJJDMLKQVUGGP-SUMWQHHRSA-N 1 3 332.835 2.746 20 0 EFADHO NC[C@]12CC[C@H]1CC[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858598 1313305346 /nfs/dbraw/zinc/30/53/46/1313305346.db2.gz YZJJDMLKQVUGGP-SUMWQHHRSA-N 1 3 332.835 2.746 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN(C[C@H]1CC=CCC1)CCC2 ZINC001201410846 1296818807 /nfs/dbraw/zinc/81/88/07/1296818807.db2.gz MSVKVASUDOJOBZ-KRWDZBQOSA-N 1 3 344.503 2.647 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001211233248 1314460932 /nfs/dbraw/zinc/46/09/32/1314460932.db2.gz ABVHEQWIELAVHU-HFTQHKIXSA-N 1 3 335.879 2.695 20 0 EFADHO COc1ccc(-c2ccc(N3CC[NH2+]CC3)cc2)cc1CN(C)C ZINC001205574608 1313315948 /nfs/dbraw/zinc/31/59/48/1313315948.db2.gz LQBSHXHELDAIOM-UHFFFAOYSA-N 1 3 325.456 2.833 20 0 EFADHO [NH3+]C[C@]1(F)CCCN(Cc2c[nH]c3nc(Cl)nc(Cl)c23)CC1 ZINC001205591232 1313319072 /nfs/dbraw/zinc/31/90/72/1313319072.db2.gz ICSGGBQFZOMFSB-AWEZNQCLSA-N 1 3 346.237 2.869 20 0 EFADHO CSc1ncc(CN(C)CC2CC[NH2+]CC2)c(NC2CCCC2)n1 ZINC001235433977 1313320583 /nfs/dbraw/zinc/32/05/83/1313320583.db2.gz UJOXEKYDFOMIME-UHFFFAOYSA-N 1 3 349.548 2.984 20 0 EFADHO C[C@H]1CCN(Cc2ccncc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205617657 1313324026 /nfs/dbraw/zinc/32/40/26/1313324026.db2.gz LYUKEZXZKIOUFN-LSDHHAIUSA-N 1 3 332.492 2.873 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1c1ccccc1F ZINC001205629714 1313325516 /nfs/dbraw/zinc/32/55/16/1313325516.db2.gz DGVICUUEBGWWNJ-FUHWJXTLSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@H]1CCN(Cc2ccc(Br)cc2N)CC[C@H]1C[NH3+] ZINC001205627047 1313326116 /nfs/dbraw/zinc/32/61/16/1313326116.db2.gz LXPYQYUUXRTLGY-RYUDHWBXSA-N 1 3 326.282 2.838 20 0 EFADHO CC[C@H](N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1cccc(OC)n1 ZINC000926881832 1296970554 /nfs/dbraw/zinc/97/05/54/1296970554.db2.gz ZJWVMAHTTZXQPZ-UZKILMIQSA-N 1 3 347.503 2.611 20 0 EFADHO CC[C@H](N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O)c1cccc(OC)n1 ZINC000926881832 1296970568 /nfs/dbraw/zinc/97/05/68/1296970568.db2.gz ZJWVMAHTTZXQPZ-UZKILMIQSA-N 1 3 347.503 2.611 20 0 EFADHO [NH3+][C@H](CC(F)F)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000903876155 1313330817 /nfs/dbraw/zinc/33/08/17/1313330817.db2.gz DVFUQLIGPGLJCH-QGZVFWFLSA-N 1 3 333.426 2.940 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1F ZINC001205664330 1313333581 /nfs/dbraw/zinc/33/35/81/1313333581.db2.gz RIIKMIJGFRNCSE-PKOBYXMFSA-N 1 3 349.494 2.852 20 0 EFADHO CCOc1ccc2ccccc2c1CN1CCCC[C@@](O)(C[NH3+])C1 ZINC001205673769 1313334933 /nfs/dbraw/zinc/33/49/33/1313334933.db2.gz UBNFPDWHAITBAS-HXUWFJFHSA-N 1 3 328.456 2.914 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960476959 1297065520 /nfs/dbraw/zinc/06/55/20/1297065520.db2.gz FLGVYPGZSLIQCL-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960476959 1297065535 /nfs/dbraw/zinc/06/55/35/1297065535.db2.gz FLGVYPGZSLIQCL-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO O=C(CCC1CCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880328 1313338445 /nfs/dbraw/zinc/33/84/45/1313338445.db2.gz PFUHXYFVHJEHNY-YQQQUEKLSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235510738 1313339978 /nfs/dbraw/zinc/33/99/78/1313339978.db2.gz CRXPCOLRSNGOPG-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235510738 1313339982 /nfs/dbraw/zinc/33/99/82/1313339982.db2.gz CRXPCOLRSNGOPG-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235510742 1313340082 /nfs/dbraw/zinc/34/00/82/1313340082.db2.gz CRXPCOLRSNGOPG-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235510742 1313340085 /nfs/dbraw/zinc/34/00/85/1313340085.db2.gz CRXPCOLRSNGOPG-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512270 1313340173 /nfs/dbraw/zinc/34/01/73/1313340173.db2.gz IPVQIQXPWWYGJO-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512270 1313340177 /nfs/dbraw/zinc/34/01/77/1313340177.db2.gz IPVQIQXPWWYGJO-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235514796 1313340879 /nfs/dbraw/zinc/34/08/79/1313340879.db2.gz RAADPYBVPHOWOX-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C[C@H]1CCN1CC1=CCCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235514796 1313340883 /nfs/dbraw/zinc/34/08/83/1313340883.db2.gz RAADPYBVPHOWOX-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000960485391 1297089138 /nfs/dbraw/zinc/08/91/38/1297089138.db2.gz DNSLEFYANBRWMY-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC000960485391 1297089154 /nfs/dbraw/zinc/08/91/54/1297089154.db2.gz DNSLEFYANBRWMY-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960486137 1297090899 /nfs/dbraw/zinc/09/08/99/1297090899.db2.gz HPFZQXVCYSZFCU-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960486137 1297090913 /nfs/dbraw/zinc/09/09/13/1297090913.db2.gz HPFZQXVCYSZFCU-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000960490252 1297100476 /nfs/dbraw/zinc/10/04/76/1297100476.db2.gz WQEPJNSBWRBRIP-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000960490252 1297100479 /nfs/dbraw/zinc/10/04/79/1297100479.db2.gz WQEPJNSBWRBRIP-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960491081 1297102143 /nfs/dbraw/zinc/10/21/43/1297102143.db2.gz YMYQBXKDNZJFHX-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960491081 1297102147 /nfs/dbraw/zinc/10/21/47/1297102147.db2.gz YMYQBXKDNZJFHX-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960491084 1297102455 /nfs/dbraw/zinc/10/24/55/1297102455.db2.gz YMYQBXKDNZJFHX-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960491084 1297102460 /nfs/dbraw/zinc/10/24/60/1297102460.db2.gz YMYQBXKDNZJFHX-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CCOC[C@@H]1CN(CCCC[NH3+])Cc2cn(CC3CCCC3)nc21 ZINC001235539133 1313347324 /nfs/dbraw/zinc/34/73/24/1313347324.db2.gz SRDFSWRBPHQFOE-SFHVURJKSA-N 1 3 334.508 2.748 20 0 EFADHO COC(C)(C)CCC[C@@H](C)CCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001276484261 1313351931 /nfs/dbraw/zinc/35/19/31/1313351931.db2.gz NOFZOGMSCNYLNT-GOSISDBHSA-N 1 3 339.568 2.930 20 0 EFADHO Fc1cccc(CN2CC[C@@]23CCCN(CC2(F)CC[NH2+]CC2)C3)c1 ZINC001235628169 1313362021 /nfs/dbraw/zinc/36/20/21/1313362021.db2.gz GOLZNGHFEVTGEL-HXUWFJFHSA-N 1 3 349.469 2.958 20 0 EFADHO c1nc(CNC2CCCC2)c2n1CCCN(CC[C@@H]1CCCC[NH2+]1)C2 ZINC001235646505 1313366579 /nfs/dbraw/zinc/36/65/79/1313366579.db2.gz QKAZNQVYVJUVTL-SFHVURJKSA-N 1 3 345.535 2.653 20 0 EFADHO C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894843 1313368477 /nfs/dbraw/zinc/36/84/77/1313368477.db2.gz FVUFLYYRBOBJEL-NXHRZFHOSA-N 1 3 325.460 2.581 20 0 EFADHO CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000903891466 1313361406 /nfs/dbraw/zinc/36/14/06/1313361406.db2.gz APDYJYCBZDXPBU-KRWWSPQJSA-N 1 3 347.890 2.908 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+](CCC(F)(F)F)CC3)cn1 ZINC001202328777 1297342121 /nfs/dbraw/zinc/34/21/21/1297342121.db2.gz KNRZHZFUAHDQHS-UHFFFAOYSA-N 1 3 330.398 2.803 20 0 EFADHO C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903899397 1313377434 /nfs/dbraw/zinc/37/74/34/1313377434.db2.gz UGFZQBPQLFNZOY-SUMDDJOVSA-N 1 3 325.460 2.581 20 0 EFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235694235 1313377852 /nfs/dbraw/zinc/37/78/52/1313377852.db2.gz AEISWBRCOMZCPT-KRWDZBQOSA-N 1 3 330.472 2.886 20 0 EFADHO O=C(CC1CCCCC1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903206 1313383084 /nfs/dbraw/zinc/38/30/84/1313383084.db2.gz GTFJMHZAHHOIAM-YQQQUEKLSA-N 1 3 333.520 2.632 20 0 EFADHO c1cc2c(s1)CN(Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001235718495 1313383368 /nfs/dbraw/zinc/38/33/68/1313383368.db2.gz IWHGGHHFJCOFHR-UHFFFAOYSA-N 1 3 327.497 2.712 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)CCC1 ZINC000960681277 1297416234 /nfs/dbraw/zinc/41/62/34/1297416234.db2.gz MUGDWQSOPLGARL-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)CCC1 ZINC000960681277 1297416241 /nfs/dbraw/zinc/41/62/41/1297416241.db2.gz MUGDWQSOPLGARL-QGZVFWFLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC000960684031 1297419597 /nfs/dbraw/zinc/41/95/97/1297419597.db2.gz OQCCLLWBEMVPNI-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC000960684031 1297419603 /nfs/dbraw/zinc/41/96/03/1297419603.db2.gz OQCCLLWBEMVPNI-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC000960690695 1297424573 /nfs/dbraw/zinc/42/45/73/1297424573.db2.gz LJQAHZIYSBVGNX-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC000960690695 1297424579 /nfs/dbraw/zinc/42/45/79/1297424579.db2.gz LJQAHZIYSBVGNX-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850776 1313386643 /nfs/dbraw/zinc/38/66/43/1313386643.db2.gz UKHFGTMCOZXSQD-JKSUJKDBSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850776 1313386646 /nfs/dbraw/zinc/38/66/46/1313386646.db2.gz UKHFGTMCOZXSQD-JKSUJKDBSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850942 1313386853 /nfs/dbraw/zinc/38/68/53/1313386853.db2.gz VAMNCQZHJCVYIV-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850942 1313386857 /nfs/dbraw/zinc/38/68/57/1313386857.db2.gz VAMNCQZHJCVYIV-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO [NH3+]CCCCN1CCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC001235706632 1313381559 /nfs/dbraw/zinc/38/15/59/1313381559.db2.gz YKECJAHFERIQFU-UHFFFAOYSA-N 1 3 336.789 2.615 20 0 EFADHO C[C@H]1CN(Cc2cc(O)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205995953 1313388371 /nfs/dbraw/zinc/38/83/71/1313388371.db2.gz SFXZTBNZYVJTEG-RYUDHWBXSA-N 1 3 327.266 2.962 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960719665 1297470499 /nfs/dbraw/zinc/47/04/99/1297470499.db2.gz SBFZTIPVSGCUCE-RBUKOAKNSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960719665 1297470505 /nfs/dbraw/zinc/47/05/05/1297470505.db2.gz SBFZTIPVSGCUCE-RBUKOAKNSA-N 1 3 349.494 2.919 20 0 EFADHO Cc1c(Br)cncc1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206013182 1313391294 /nfs/dbraw/zinc/39/12/94/1313391294.db2.gz PWGUGVBYTVWKEK-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1nc(Br)ccc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206012553 1313391622 /nfs/dbraw/zinc/39/16/22/1313391622.db2.gz MJNDNUVADQEPIT-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO [NH3+]CCCCCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC001235795656 1313398174 /nfs/dbraw/zinc/39/81/74/1313398174.db2.gz ORFAXCSAWHEWRN-HNNXBMFYSA-N 1 3 326.282 2.524 20 0 EFADHO CCn1ccc2c1cccc2CN1CCN(C2(C)CC[NH2+]CC2)CC1 ZINC001235815622 1313403663 /nfs/dbraw/zinc/40/36/63/1313403663.db2.gz MUWDFWCZJQPEHH-UHFFFAOYSA-N 1 3 340.515 2.921 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)ccc2s1 ZINC001235859100 1313411216 /nfs/dbraw/zinc/41/12/16/1313411216.db2.gz CXYVVCRTBGJBNV-ZWKOTPCHSA-N 1 3 344.528 2.815 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)ccc2s1 ZINC001235859100 1313411218 /nfs/dbraw/zinc/41/12/18/1313411218.db2.gz CXYVVCRTBGJBNV-ZWKOTPCHSA-N 1 3 344.528 2.815 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001017555187 1313411883 /nfs/dbraw/zinc/41/18/83/1313411883.db2.gz KLPPOHFLDSNZLY-YSIASYRMSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001017555187 1313411886 /nfs/dbraw/zinc/41/18/86/1313411886.db2.gz KLPPOHFLDSNZLY-YSIASYRMSA-N 1 3 347.547 2.972 20 0 EFADHO Fc1ccc(N2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC001235874521 1313413179 /nfs/dbraw/zinc/41/31/79/1313413179.db2.gz KDAKNNXOPGFGSN-UHFFFAOYSA-N 1 3 335.442 2.867 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235884046 1313414138 /nfs/dbraw/zinc/41/41/38/1313414138.db2.gz QTZVLNZVCIHMGP-QGZVFWFLSA-N 1 3 341.455 2.919 20 0 EFADHO Brc1ccc([C@@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235881418 1313414195 /nfs/dbraw/zinc/41/41/95/1313414195.db2.gz FMJBEGVLSZGZJK-ZBFHGGJFSA-N 1 3 339.277 2.617 20 0 EFADHO Brc1ccc([C@@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235881418 1313414197 /nfs/dbraw/zinc/41/41/97/1313414197.db2.gz FMJBEGVLSZGZJK-ZBFHGGJFSA-N 1 3 339.277 2.617 20 0 EFADHO CC(C)CCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206176677 1313415592 /nfs/dbraw/zinc/41/55/92/1313415592.db2.gz OXIHMQJOHKNAHI-GOSISDBHSA-N 1 3 325.541 2.837 20 0 EFADHO c1ccc(CN2CC3(C2)CN(Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001235900773 1313415937 /nfs/dbraw/zinc/41/59/37/1313415937.db2.gz SDEDUDOPAMSETO-UHFFFAOYSA-N 1 3 333.479 2.650 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858776 1297703861 /nfs/dbraw/zinc/70/38/61/1297703861.db2.gz ACKLFOWXKRCXEW-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858776 1297703867 /nfs/dbraw/zinc/70/38/67/1297703867.db2.gz ACKLFOWXKRCXEW-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858770 1297705411 /nfs/dbraw/zinc/70/54/11/1297705411.db2.gz ACKLFOWXKRCXEW-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)C1 ZINC000960858770 1297705420 /nfs/dbraw/zinc/70/54/20/1297705420.db2.gz ACKLFOWXKRCXEW-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859210 1297708316 /nfs/dbraw/zinc/70/83/16/1297708316.db2.gz CCVZUEKITAJQCB-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859210 1297708325 /nfs/dbraw/zinc/70/83/25/1297708325.db2.gz CCVZUEKITAJQCB-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860089 1297711765 /nfs/dbraw/zinc/71/17/65/1297711765.db2.gz DVYSMDIKHRCORB-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860089 1297711770 /nfs/dbraw/zinc/71/17/70/1297711770.db2.gz DVYSMDIKHRCORB-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC000960864718 1297718872 /nfs/dbraw/zinc/71/88/72/1297718872.db2.gz VONWCNFUNNYHFZ-RTBURBONSA-N 1 3 349.494 2.835 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864749 1297719227 /nfs/dbraw/zinc/71/92/27/1297719227.db2.gz PGQSDXYKGUVNRB-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864749 1297719237 /nfs/dbraw/zinc/71/92/37/1297719237.db2.gz PGQSDXYKGUVNRB-HKUYNNGSSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCN(c2ccc(NC[C@H]([NH3+])CC(F)F)c(C)c2)CC1 ZINC000903920328 1313419207 /nfs/dbraw/zinc/41/92/07/1313419207.db2.gz STIAQTNGVBJEMK-CQSZACIVSA-N 1 3 326.435 2.531 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960865326 1297720829 /nfs/dbraw/zinc/72/08/29/1297720829.db2.gz PVRVZYRDRCYRSM-MAUKXSAKSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960865326 1297720835 /nfs/dbraw/zinc/72/08/35/1297720835.db2.gz PVRVZYRDRCYRSM-MAUKXSAKSA-N 1 3 327.488 2.530 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960867027 1297723893 /nfs/dbraw/zinc/72/38/93/1297723893.db2.gz ULSUJAKZIFKIFE-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960867027 1297723888 /nfs/dbraw/zinc/72/38/88/1297723888.db2.gz ULSUJAKZIFKIFE-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867330 1297724884 /nfs/dbraw/zinc/72/48/84/1297724884.db2.gz WBMRXCRKTFCGFI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000960867330 1297724888 /nfs/dbraw/zinc/72/48/88/1297724888.db2.gz WBMRXCRKTFCGFI-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO [NH3+][C@H](CN(Cc1ccccc1)[C@@H]1CCNC[C@H]1F)c1ccccc1 ZINC001235936548 1313420143 /nfs/dbraw/zinc/42/01/43/1313420143.db2.gz LIBGNRSVFFVILL-VAMGGRTRSA-N 1 3 327.447 2.889 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001413035570 1297749005 /nfs/dbraw/zinc/74/90/05/1297749005.db2.gz CXSJYZSHISRSBH-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001413035570 1297749014 /nfs/dbraw/zinc/74/90/14/1297749014.db2.gz CXSJYZSHISRSBH-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001413035573 1297750407 /nfs/dbraw/zinc/75/04/07/1297750407.db2.gz CXSJYZSHISRSBH-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001413035573 1297750418 /nfs/dbraw/zinc/75/04/18/1297750418.db2.gz CXSJYZSHISRSBH-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001488803049 1297762599 /nfs/dbraw/zinc/76/25/99/1297762599.db2.gz CQUKTTVXNWZNPP-OKILXGFUSA-N 1 3 348.318 2.666 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001206274943 1313429549 /nfs/dbraw/zinc/42/95/49/1313429549.db2.gz NHRJHCZDPGPNMP-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001206273885 1313429608 /nfs/dbraw/zinc/42/96/08/1313429608.db2.gz CIFNBQHIZDLSTI-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCc2cccs2)CC1 ZINC001206273902 1313429635 /nfs/dbraw/zinc/42/96/35/1313429635.db2.gz CWAMJQRCSBRDOM-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001206275576 1313429894 /nfs/dbraw/zinc/42/98/94/1313429894.db2.gz VNSHHTGRTQHMGU-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960903378 1297777395 /nfs/dbraw/zinc/77/73/95/1297777395.db2.gz CKGXVEWWEZUZNC-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960903378 1297777402 /nfs/dbraw/zinc/77/74/02/1297777402.db2.gz CKGXVEWWEZUZNC-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000960909747 1297792745 /nfs/dbraw/zinc/79/27/45/1297792745.db2.gz KAGAAUJAHSEPBU-LEOMRAHMSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC000960909747 1297792752 /nfs/dbraw/zinc/79/27/52/1297792752.db2.gz KAGAAUJAHSEPBU-LEOMRAHMSA-N 1 3 332.492 2.701 20 0 EFADHO [NH3+][C@@H](CNCC1(c2ccccc2Cl)CCOCC1)CC(F)F ZINC000903923370 1313425027 /nfs/dbraw/zinc/42/50/27/1313425027.db2.gz SASXENBNVGUBGW-GFCCVEGCSA-N 1 3 332.822 2.960 20 0 EFADHO CCOC(=O)[C@]12CN(Cc3cccc4c3CCCC4)C[C@H]1C[NH2+]CC2 ZINC001236040228 1313432954 /nfs/dbraw/zinc/43/29/54/1313432954.db2.gz HWSKOBNBRMRBJU-WIYYLYMNSA-N 1 3 342.483 2.540 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC000947616076 1297841892 /nfs/dbraw/zinc/84/18/92/1297841892.db2.gz OPUNKGTXMVRRRK-KGLIPLIRSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610846 1313438491 /nfs/dbraw/zinc/43/84/91/1313438491.db2.gz JEBQEBHGHJNANA-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610846 1313438494 /nfs/dbraw/zinc/43/84/94/1313438494.db2.gz JEBQEBHGHJNANA-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO [NH3+]C1CN([C@@H]2CCCN(Cc3cccc(SC(F)(F)F)c3)C2)C1 ZINC001236078798 1313438904 /nfs/dbraw/zinc/43/89/04/1313438904.db2.gz PIUMHBNMRDHPRL-CQSZACIVSA-N 1 3 345.434 2.906 20 0 EFADHO Cc1c(C[C@@H](C[NH3+])CN[C@@H](C)c2ccc3c(c2)CCCO3)cnn1C ZINC000903932543 1313439592 /nfs/dbraw/zinc/43/95/92/1313439592.db2.gz DLYIKVSWPDHAEQ-HOCLYGCPSA-N 1 3 342.487 2.522 20 0 EFADHO c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H](C2CCCCC2)C1 ZINC000903932992 1313440863 /nfs/dbraw/zinc/44/08/63/1313440863.db2.gz JGFBOLQXHKIUJO-QZTJIDSGSA-N 1 3 331.508 2.995 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@H](C)C1 ZINC000947979442 1297901319 /nfs/dbraw/zinc/90/13/19/1297901319.db2.gz GVHRKGVGTXRPCM-PBHICJAKSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@H](C)C1 ZINC000947979442 1297901325 /nfs/dbraw/zinc/90/13/25/1297901325.db2.gz GVHRKGVGTXRPCM-PBHICJAKSA-N 1 3 332.492 2.810 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960978447 1297938665 /nfs/dbraw/zinc/93/86/65/1297938665.db2.gz MNNVHQYZIKPYDR-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000960978447 1297938671 /nfs/dbraw/zinc/93/86/71/1297938671.db2.gz MNNVHQYZIKPYDR-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)CC[C@@H]1CCCC[NH2+]1 ZINC001236145538 1313446926 /nfs/dbraw/zinc/44/69/26/1313446926.db2.gz DPQXQYXRXJGVRT-IRXDYDNUSA-N 1 3 328.497 2.589 20 0 EFADHO CC1(C)CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000903932652 1313439461 /nfs/dbraw/zinc/43/94/61/1313439461.db2.gz FDAROODXTSDTHA-QGZVFWFLSA-N 1 3 339.487 2.539 20 0 EFADHO CC[C@H](N)C[N@@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC ZINC001236154831 1313448137 /nfs/dbraw/zinc/44/81/37/1313448137.db2.gz ULGYDCWXKUTLGH-MPTYRVRUSA-N 1 3 330.513 2.817 20 0 EFADHO CC[C@H](N)C[N@H+](C)[C@H]([C@@H](CC(=O)OC(C)(C)C)OC)[C@@H](C)CC ZINC001236154831 1313448139 /nfs/dbraw/zinc/44/81/39/1313448139.db2.gz ULGYDCWXKUTLGH-MPTYRVRUSA-N 1 3 330.513 2.817 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC000961010263 1298001547 /nfs/dbraw/zinc/00/15/47/1298001547.db2.gz LTPFMOYZEPFBAF-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000961010263 1298001560 /nfs/dbraw/zinc/00/15/60/1298001560.db2.gz LTPFMOYZEPFBAF-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269305 1314466762 /nfs/dbraw/zinc/46/67/62/1314466762.db2.gz PMJUGMKVTUOGPG-SFHVURJKSA-N 1 3 331.504 2.724 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)CC1CCCCCC1 ZINC000961027863 1298026174 /nfs/dbraw/zinc/02/61/74/1298026174.db2.gz LHHWCQILNBIVCC-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)CC1CCCCCC1 ZINC000961027863 1298026183 /nfs/dbraw/zinc/02/61/83/1298026183.db2.gz LHHWCQILNBIVCC-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1F ZINC000961028318 1298029100 /nfs/dbraw/zinc/02/91/00/1298029100.db2.gz NFOLOUYNTPOMQW-SFHVURJKSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1F ZINC000961028318 1298029107 /nfs/dbraw/zinc/02/91/07/1298029107.db2.gz NFOLOUYNTPOMQW-SFHVURJKSA-N 1 3 347.478 2.653 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583767 1298033460 /nfs/dbraw/zinc/03/34/60/1298033460.db2.gz ZXIVSFAKJKQTBX-DLBZAZTESA-N 1 3 339.499 2.676 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583768 1298033565 /nfs/dbraw/zinc/03/35/65/1298033565.db2.gz ZXIVSFAKJKQTBX-IAGOWNOFSA-N 1 3 339.499 2.676 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000961031085 1298035123 /nfs/dbraw/zinc/03/51/23/1298035123.db2.gz IFCHSGDAXBRKSC-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000961031085 1298035127 /nfs/dbraw/zinc/03/51/27/1298035127.db2.gz IFCHSGDAXBRKSC-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031556 1298037098 /nfs/dbraw/zinc/03/70/98/1298037098.db2.gz ZCHGPPJSVJDUMO-LJQANCHMSA-N 1 3 347.478 2.675 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961031556 1298037109 /nfs/dbraw/zinc/03/71/09/1298037109.db2.gz ZCHGPPJSVJDUMO-LJQANCHMSA-N 1 3 347.478 2.675 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033949 1298041890 /nfs/dbraw/zinc/04/18/90/1298041890.db2.gz KRTQCEXOONSJGU-HKUYNNGSSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033949 1298041899 /nfs/dbraw/zinc/04/18/99/1298041899.db2.gz KRTQCEXOONSJGU-HKUYNNGSSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000948775770 1298063774 /nfs/dbraw/zinc/06/37/74/1298063774.db2.gz QFTDKTHWVILRNU-ZZQZRYSSSA-N 1 3 327.900 2.536 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000948775770 1298063786 /nfs/dbraw/zinc/06/37/86/1298063786.db2.gz QFTDKTHWVILRNU-ZZQZRYSSSA-N 1 3 327.900 2.536 20 0 EFADHO Fc1cc(-c2ncc3c(n2)CC[NH2+]C3)ccc1CN1CCCCC1 ZINC001236235067 1313458466 /nfs/dbraw/zinc/45/84/66/1313458466.db2.gz UCAOEMDSASLZDN-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017657370 1313458824 /nfs/dbraw/zinc/45/88/24/1313458824.db2.gz CTMKNCSSPFNAFS-AKHDSKFASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017657370 1313458826 /nfs/dbraw/zinc/45/88/26/1313458826.db2.gz CTMKNCSSPFNAFS-AKHDSKFASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017657375 1313458966 /nfs/dbraw/zinc/45/89/66/1313458966.db2.gz CTMKNCSSPFNAFS-OKYOBFRVSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017657375 1313458968 /nfs/dbraw/zinc/45/89/68/1313458968.db2.gz CTMKNCSSPFNAFS-OKYOBFRVSA-N 1 3 333.520 2.725 20 0 EFADHO Oc1ccc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236314860 1313467741 /nfs/dbraw/zinc/46/77/41/1313467741.db2.gz HOOKZNWLKPYDLE-TXEJJXNPSA-N 1 3 325.250 2.586 20 0 EFADHO COc1c(Br)cccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320172 1313468290 /nfs/dbraw/zinc/46/82/90/1313468290.db2.gz KNQDSGKXBQHCCC-BETUJISGSA-N 1 3 339.277 2.889 20 0 EFADHO COc1cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)ccc1Br ZINC001236321727 1313469282 /nfs/dbraw/zinc/46/92/82/1313469282.db2.gz LQBYPKWREKNRBL-OKILXGFUSA-N 1 3 339.277 2.889 20 0 EFADHO Oc1ccc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(OC(F)(F)F)c1 ZINC001236320896 1313469382 /nfs/dbraw/zinc/46/93/82/1313469382.db2.gz LVZDJHGVSITSLG-TXEJJXNPSA-N 1 3 330.350 2.722 20 0 EFADHO COc1cccc([C@@H]2CCC[N@H+](Cc3ccc4n3CCNC4)C2)c1 ZINC001236334378 1313471667 /nfs/dbraw/zinc/47/16/67/1313471667.db2.gz IRFRDTZYKWGUFS-QGZVFWFLSA-N 1 3 325.456 2.980 20 0 EFADHO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc4n3CCNC4)C2)c1 ZINC001236334378 1313471670 /nfs/dbraw/zinc/47/16/70/1313471670.db2.gz IRFRDTZYKWGUFS-QGZVFWFLSA-N 1 3 325.456 2.980 20 0 EFADHO Nc1ncccc1CN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236385096 1313475505 /nfs/dbraw/zinc/47/55/05/1313475505.db2.gz OBRUNJAVWRWDDE-UHFFFAOYSA-N 1 3 328.435 2.805 20 0 EFADHO CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160305 1298229112 /nfs/dbraw/zinc/22/91/12/1298229112.db2.gz WIEUHALOWYRXBE-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160305 1298229120 /nfs/dbraw/zinc/22/91/20/1298229120.db2.gz WIEUHALOWYRXBE-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181362 1298259034 /nfs/dbraw/zinc/25/90/34/1298259034.db2.gz JKXBCDHOSNTWPI-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181362 1298259041 /nfs/dbraw/zinc/25/90/41/1298259041.db2.gz JKXBCDHOSNTWPI-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO COc1cccc(O[C@@H]2CCCN(Cc3cccc(C[NH3+])c3)C2)n1 ZINC001236535759 1313490212 /nfs/dbraw/zinc/49/02/12/1313490212.db2.gz KNIFWXBGJQFTOU-QGZVFWFLSA-N 1 3 327.428 2.592 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188643 1298274288 /nfs/dbraw/zinc/27/42/88/1298274288.db2.gz WDMWBSALRDZWIL-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188643 1298274293 /nfs/dbraw/zinc/27/42/93/1298274293.db2.gz WDMWBSALRDZWIL-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001206641751 1313487305 /nfs/dbraw/zinc/48/73/05/1313487305.db2.gz AQLHTGGRNIQXEM-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@@H]3CC[N@H+](CC4CC4)C3)C2)C1 ZINC000961228178 1298368823 /nfs/dbraw/zinc/36/88/23/1298368823.db2.gz GESRIOJYNIJZRJ-RTBURBONSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@@H]3CC[N@@H+](CC4CC4)C3)C2)C1 ZINC000961228178 1298368832 /nfs/dbraw/zinc/36/88/32/1298368832.db2.gz GESRIOJYNIJZRJ-RTBURBONSA-N 1 3 347.547 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000961229123 1298370218 /nfs/dbraw/zinc/37/02/18/1298370218.db2.gz HJUONYQRBQEFHE-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000961229123 1298370230 /nfs/dbraw/zinc/37/02/30/1298370230.db2.gz HJUONYQRBQEFHE-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO COc1ccc(O[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)nc1 ZINC001236623369 1313499767 /nfs/dbraw/zinc/49/97/67/1313499767.db2.gz SQMBLBAKSTYSJV-IBGZPJMESA-N 1 3 339.439 2.737 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236677 1298388542 /nfs/dbraw/zinc/38/85/42/1298388542.db2.gz YIESGPBCEUAGGE-IRXDYDNUSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961236677 1298388556 /nfs/dbraw/zinc/38/85/56/1298388556.db2.gz YIESGPBCEUAGGE-IRXDYDNUSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262818 1298446664 /nfs/dbraw/zinc/44/66/64/1298446664.db2.gz QCPCJOKMXSXXJL-UXHICEINSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262818 1298446670 /nfs/dbraw/zinc/44/66/70/1298446670.db2.gz QCPCJOKMXSXXJL-UXHICEINSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ncsc1CN1CCCC2(CC[NH+](C[C@H](C)CO)CC2)C1 ZINC001277998481 1313512031 /nfs/dbraw/zinc/51/20/31/1313512031.db2.gz LLSCWQXCTGTSRO-HNNXBMFYSA-N 1 3 337.533 2.758 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)C1 ZINC001276497080 1313520266 /nfs/dbraw/zinc/52/02/66/1313520266.db2.gz RLQWMVBJBZZAKU-QRVBRYPASA-N 1 3 330.520 2.500 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)C1 ZINC001276497080 1313520268 /nfs/dbraw/zinc/52/02/68/1313520268.db2.gz RLQWMVBJBZZAKU-QRVBRYPASA-N 1 3 330.520 2.500 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961338011 1298575736 /nfs/dbraw/zinc/57/57/36/1298575736.db2.gz DATUKDZIMHLYPG-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961338011 1298575744 /nfs/dbraw/zinc/57/57/44/1298575744.db2.gz DATUKDZIMHLYPG-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765766 1313517532 /nfs/dbraw/zinc/51/75/32/1313517532.db2.gz LNPNPDNWGKGKQO-KANFNMMFSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339653 1298579602 /nfs/dbraw/zinc/57/96/02/1298579602.db2.gz ISFUBKOENHGAJL-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339653 1298579610 /nfs/dbraw/zinc/57/96/10/1298579610.db2.gz ISFUBKOENHGAJL-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339658 1298579808 /nfs/dbraw/zinc/57/98/08/1298579808.db2.gz ISFUBKOENHGAJL-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961339658 1298579817 /nfs/dbraw/zinc/57/98/17/1298579817.db2.gz ISFUBKOENHGAJL-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C)C[N@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768463 1313525094 /nfs/dbraw/zinc/52/50/94/1313525094.db2.gz UVPSLYSCTDIYRA-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768463 1313525096 /nfs/dbraw/zinc/52/50/96/1313525096.db2.gz UVPSLYSCTDIYRA-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768463 1313525099 /nfs/dbraw/zinc/52/50/99/1313525099.db2.gz UVPSLYSCTDIYRA-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236768463 1313525100 /nfs/dbraw/zinc/52/51/00/1313525100.db2.gz UVPSLYSCTDIYRA-QAQDUYKDSA-N 1 3 342.491 2.985 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961377659 1298650399 /nfs/dbraw/zinc/65/03/99/1298650399.db2.gz ZHGPPLFLPHKBJD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961377659 1298650410 /nfs/dbraw/zinc/65/04/10/1298650410.db2.gz ZHGPPLFLPHKBJD-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000961406972 1298701469 /nfs/dbraw/zinc/70/14/69/1298701469.db2.gz UCZVPJIHDSYAMR-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000961406972 1298701475 /nfs/dbraw/zinc/70/14/75/1298701475.db2.gz UCZVPJIHDSYAMR-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411429 1298707548 /nfs/dbraw/zinc/70/75/48/1298707548.db2.gz NKDKOYSNDOQSMI-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC000961411429 1298707556 /nfs/dbraw/zinc/70/75/56/1298707556.db2.gz NKDKOYSNDOQSMI-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001206890535 1313541478 /nfs/dbraw/zinc/54/14/78/1313541478.db2.gz WMNILFMUMZPHPF-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001206890432 1313541490 /nfs/dbraw/zinc/54/14/90/1313541490.db2.gz RHIXHKAXVHFURC-QGZVFWFLSA-N 1 3 331.504 2.918 20 0 EFADHO CN1CCC([N@H+](CC[C@H]2COC(C)(C)N2)Cc2ccc(F)cc2)CC1 ZINC001236848170 1313541802 /nfs/dbraw/zinc/54/18/02/1313541802.db2.gz NUFKRPXSLDNFQT-SFHVURJKSA-N 1 3 349.494 2.837 20 0 EFADHO CN1CCC([N@@H+](CC[C@H]2COC(C)(C)N2)Cc2ccc(F)cc2)CC1 ZINC001236848170 1313541805 /nfs/dbraw/zinc/54/18/05/1313541805.db2.gz NUFKRPXSLDNFQT-SFHVURJKSA-N 1 3 349.494 2.837 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000961436844 1298746214 /nfs/dbraw/zinc/74/62/14/1298746214.db2.gz WSWSWUFFMDPAPQ-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000961436844 1298746223 /nfs/dbraw/zinc/74/62/23/1298746223.db2.gz WSWSWUFFMDPAPQ-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439162 1298748418 /nfs/dbraw/zinc/74/84/18/1298748418.db2.gz FSALTPJTRSSOBW-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961439162 1298748424 /nfs/dbraw/zinc/74/84/24/1298748424.db2.gz FSALTPJTRSSOBW-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1cccnc1C ZINC001490309226 1298751807 /nfs/dbraw/zinc/75/18/07/1298751807.db2.gz ILEMHRLEQPZLPZ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO C[NH+](C)CCN(Cc1c(Cl)cc([O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC001236934345 1313557227 /nfs/dbraw/zinc/55/72/27/1313557227.db2.gz VVUAWBCSLQRBAZ-LBPRGKRZSA-N 1 3 346.302 2.815 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001206928974 1313557504 /nfs/dbraw/zinc/55/75/04/1313557504.db2.gz OXVLSRZNEHHTOA-UHFFFAOYSA-N 1 3 335.536 2.881 20 0 EFADHO [NH3+]CCCCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1 ZINC001236950887 1313559740 /nfs/dbraw/zinc/55/97/40/1313559740.db2.gz QQRYIKXDNZIBSJ-UHFFFAOYSA-N 1 3 331.382 2.836 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951319 1313568856 /nfs/dbraw/zinc/56/88/56/1313568856.db2.gz KFOZEZZTBDYDMQ-GOSISDBHSA-N 1 3 349.494 2.938 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC001206952326 1313569329 /nfs/dbraw/zinc/56/93/29/1313569329.db2.gz KMPWVCLYNWUSMB-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001206954246 1313570024 /nfs/dbraw/zinc/57/00/24/1313570024.db2.gz ARXWEJBATRIJSN-INIZCTEOSA-N 1 3 345.478 2.590 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC[NH+](C)C ZINC001278048393 1313581023 /nfs/dbraw/zinc/58/10/23/1313581023.db2.gz ODDVWZWYXFRWBU-IPQPSQTFSA-N 1 3 331.504 2.572 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1F ZINC001490668571 1299066858 /nfs/dbraw/zinc/06/68/58/1299066858.db2.gz QIOBYTFXKXFUBI-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO CC/C=C\CCCN1CC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001278054945 1313588873 /nfs/dbraw/zinc/58/88/73/1313588873.db2.gz RVHUUFTYTWXCRM-OOFWQKGWSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000961830152 1299145587 /nfs/dbraw/zinc/14/55/87/1299145587.db2.gz SWPYQCBBLNNJTD-KVZIAJEVSA-N 1 3 347.547 2.924 20 0 EFADHO CC(=O)N1CCC(CN2CCC[C@@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276504447 1313598901 /nfs/dbraw/zinc/59/89/01/1313598901.db2.gz GNXQNSJIJFGSDI-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(=O)N1CCC(CN2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276504447 1313598905 /nfs/dbraw/zinc/59/89/05/1313598905.db2.gz GNXQNSJIJFGSDI-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1Cc2cccc(Br)c2CN1CC[C@@H]1C[NH2+]CCO1 ZINC001237192728 1313602192 /nfs/dbraw/zinc/60/21/92/1313602192.db2.gz YJODRVZPWSRFTO-TZMCWYRMSA-N 1 3 339.277 2.574 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001017941656 1313604135 /nfs/dbraw/zinc/60/41/35/1313604135.db2.gz HWZCMSLZVLBWAI-KPZODNFCSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001017941656 1313604141 /nfs/dbraw/zinc/60/41/41/1313604141.db2.gz HWZCMSLZVLBWAI-KPZODNFCSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000961942984 1299260932 /nfs/dbraw/zinc/26/09/32/1299260932.db2.gz FCQQPGZFBFAORY-XDNAFOTISA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000961942984 1299260946 /nfs/dbraw/zinc/26/09/46/1299260946.db2.gz FCQQPGZFBFAORY-XDNAFOTISA-N 1 3 335.536 2.732 20 0 EFADHO Cc1ccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001278073044 1313612361 /nfs/dbraw/zinc/61/23/61/1313612361.db2.gz OTHNPQXPAZECGH-UHFFFAOYSA-N 1 3 338.499 2.832 20 0 EFADHO CC1(C)OC[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040675 1299521430 /nfs/dbraw/zinc/52/14/30/1299521430.db2.gz NLSUXXQIOLSVOA-ICSRJNTNSA-N 1 3 330.472 2.736 20 0 EFADHO CC1(C)OC[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040675 1299521435 /nfs/dbraw/zinc/52/14/35/1299521435.db2.gz NLSUXXQIOLSVOA-ICSRJNTNSA-N 1 3 330.472 2.736 20 0 EFADHO CN(CCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852104986 1299549337 /nfs/dbraw/zinc/54/93/37/1299549337.db2.gz HOYACYDJPZLOGP-SFHVURJKSA-N 1 3 325.497 2.661 20 0 EFADHO CN(CCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1)C(=O)OC(C)(C)C ZINC000852104986 1299549342 /nfs/dbraw/zinc/54/93/42/1299549342.db2.gz HOYACYDJPZLOGP-SFHVURJKSA-N 1 3 325.497 2.661 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109052 1299552140 /nfs/dbraw/zinc/55/21/40/1299552140.db2.gz TZEDOSOWMYPZKS-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109052 1299552145 /nfs/dbraw/zinc/55/21/45/1299552145.db2.gz TZEDOSOWMYPZKS-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000962304737 1299565129 /nfs/dbraw/zinc/56/51/29/1299565129.db2.gz CYBUKORDQCIECP-MXWWQKGMSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000962305768 1299566882 /nfs/dbraw/zinc/56/68/82/1299566882.db2.gz MUDIOQRJOLBVGD-LYGPFTKASA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000962309598 1299571570 /nfs/dbraw/zinc/57/15/70/1299571570.db2.gz NSVCVSSPJUOFIY-NXVRBGIVSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000962309200 1299571793 /nfs/dbraw/zinc/57/17/93/1299571793.db2.gz LJXZHEQRFGFZRQ-VMEOHVCESA-N 1 3 343.515 2.630 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000962310495 1299571921 /nfs/dbraw/zinc/57/19/21/1299571921.db2.gz WVVYMUJXBSUTLL-APMMTJHUSA-N 1 3 343.515 2.630 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962384701 1299647906 /nfs/dbraw/zinc/64/79/06/1299647906.db2.gz FCRNKJKHJASXJR-SOAGJPPSSA-N 1 3 343.515 2.934 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000962401631 1299665133 /nfs/dbraw/zinc/66/51/33/1299665133.db2.gz CPNOROUQKVLNKW-MNZLEMJZSA-N 1 3 344.503 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000962401631 1299665140 /nfs/dbraw/zinc/66/51/40/1299665140.db2.gz CPNOROUQKVLNKW-MNZLEMJZSA-N 1 3 344.503 2.523 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2cc(Cl)ccc2C)CCC12C[NH2+]C2 ZINC001237430511 1313643442 /nfs/dbraw/zinc/64/34/42/1313643442.db2.gz KVQMYCOVDAVTDX-MRXNPFEDSA-N 1 3 336.863 2.623 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018025614 1313646574 /nfs/dbraw/zinc/64/65/74/1313646574.db2.gz HAQNKPAOBBJGAO-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207262218 1313647794 /nfs/dbraw/zinc/64/77/94/1313647794.db2.gz FEQKPYFNSKOGSR-BHIYHBOVSA-N 1 3 349.494 2.611 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207262218 1313647796 /nfs/dbraw/zinc/64/77/96/1313647796.db2.gz FEQKPYFNSKOGSR-BHIYHBOVSA-N 1 3 349.494 2.611 20 0 EFADHO CCN(CCC[NH+](C)C)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207273860 1313649651 /nfs/dbraw/zinc/64/96/51/1313649651.db2.gz YXYFNBYSCVAEBE-UHFFFAOYSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001207279645 1313650541 /nfs/dbraw/zinc/65/05/41/1313650541.db2.gz NPWPXUVSOURKJR-LSDHHAIUSA-N 1 3 325.497 2.658 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001207279645 1313650543 /nfs/dbraw/zinc/65/05/43/1313650543.db2.gz NPWPXUVSOURKJR-LSDHHAIUSA-N 1 3 325.497 2.658 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280056 1313651356 /nfs/dbraw/zinc/65/13/56/1313651356.db2.gz SDRQIPIGGIYEMX-SFHVURJKSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001207280056 1313651360 /nfs/dbraw/zinc/65/13/60/1313651360.db2.gz SDRQIPIGGIYEMX-SFHVURJKSA-N 1 3 325.497 2.660 20 0 EFADHO CCc1cccc(C[NH2+]CC2CC(NC(=O)Cc3nc[nH]c3C)C2)c1 ZINC000962598559 1299856129 /nfs/dbraw/zinc/85/61/29/1299856129.db2.gz QISMFFMCXAVJME-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000962598505 1299856403 /nfs/dbraw/zinc/85/64/03/1299856403.db2.gz PRCNMMWEYYJQGJ-OOHWJJMZSA-N 1 3 340.471 2.815 20 0 EFADHO F[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1N1CCCCC1 ZINC001237454155 1313647206 /nfs/dbraw/zinc/64/72/06/1313647206.db2.gz ISOYNNQEEDSCGV-SLFFLAALSA-N 1 3 331.479 2.599 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000962602403 1299862246 /nfs/dbraw/zinc/86/22/46/1299862246.db2.gz NNUOJIAVQRCNPU-RFSCMCKOSA-N 1 3 344.434 2.645 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001207282365 1313652208 /nfs/dbraw/zinc/65/22/08/1313652208.db2.gz OIBRRWQEWOUMQK-PKOBYXMFSA-N 1 3 349.494 2.551 20 0 EFADHO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cccc2c1CNC2 ZINC000852812903 1299897498 /nfs/dbraw/zinc/89/74/98/1299897498.db2.gz HMXBDBXCRVAQBN-UHFFFAOYSA-N 1 3 327.472 2.817 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317700 1313658070 /nfs/dbraw/zinc/65/80/70/1313658070.db2.gz HAHDBDKZONVUGQ-QFBILLFUSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317700 1313658073 /nfs/dbraw/zinc/65/80/73/1313658073.db2.gz HAHDBDKZONVUGQ-QFBILLFUSA-N 1 3 337.508 2.804 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC(C)(C)C)C[C@H]32)c1 ZINC000962731631 1299973503 /nfs/dbraw/zinc/97/35/03/1299973503.db2.gz WJRDVKHSDBOOJP-BWTSREIZSA-N 1 3 343.515 2.844 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC(C)(C)C)C[C@H]32)c1 ZINC000962731631 1299973510 /nfs/dbraw/zinc/97/35/10/1299973510.db2.gz WJRDVKHSDBOOJP-BWTSREIZSA-N 1 3 343.515 2.844 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@H]1CCCCN1C(=O)OC(C)(C)C)CC2 ZINC001207317403 1313657617 /nfs/dbraw/zinc/65/76/17/1313657617.db2.gz FAJMYPLIGHMOHL-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097661 1300005511 /nfs/dbraw/zinc/00/55/11/1300005511.db2.gz GSQVJEHMOBDCOY-YJBOKZPZSA-N 1 3 331.485 2.678 20 0 EFADHO O[C@@H](CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097661 1300005521 /nfs/dbraw/zinc/00/55/21/1300005521.db2.gz GSQVJEHMOBDCOY-YJBOKZPZSA-N 1 3 331.485 2.678 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(CCN(C[C@]34C[C@H]3C[NH2+]C4)CC2)CC1 ZINC000853246838 1300065459 /nfs/dbraw/zinc/06/54/59/1300065459.db2.gz UUQITNSDZVEFEV-OXJNMPFZSA-N 1 3 349.519 2.709 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(C)c2)C1 ZINC000962809774 1300088940 /nfs/dbraw/zinc/08/89/40/1300088940.db2.gz UGYGUXXSSRUAAG-MHJFOBGBSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC000962810474 1300090366 /nfs/dbraw/zinc/09/03/66/1300090366.db2.gz ZUYODWLXARWCLP-GXOAENINSA-N 1 3 347.478 2.685 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018070563 1313671542 /nfs/dbraw/zinc/67/15/42/1313671542.db2.gz KCUMFXLVURLSST-KDURUIRLSA-N 1 3 329.488 2.837 20 0 EFADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4nnc[nH]4)CC3)CC2)cc1 ZINC001237601008 1313674332 /nfs/dbraw/zinc/67/43/32/1313674332.db2.gz XOFYNFQRAOBSML-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000963156492 1300377218 /nfs/dbraw/zinc/37/72/18/1300377218.db2.gz GTGMPVSPKSDSJK-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000963156490 1300377531 /nfs/dbraw/zinc/37/75/31/1300377531.db2.gz GTGMPVSPKSDSJK-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000963158425 1300378544 /nfs/dbraw/zinc/37/85/44/1300378544.db2.gz XXMIEXPQTFWQSR-ACBHZAAOSA-N 1 3 347.478 2.779 20 0 EFADHO COc1ccccc1CN1CCN(CCC2CC[NH+](C)CC2)CC1 ZINC001207484500 1313697813 /nfs/dbraw/zinc/69/78/13/1313697813.db2.gz NEDVCMZVSGSCRM-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018131623 1313702449 /nfs/dbraw/zinc/70/24/49/1313702449.db2.gz AAGMWYBRXOVMCD-QRQLOZEOSA-N 1 3 335.536 2.828 20 0 EFADHO CCOc1cccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)c1 ZINC001207487158 1313698500 /nfs/dbraw/zinc/69/85/00/1313698500.db2.gz RDKFBBMEYCGBCP-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC3CCC3)C2)CCC1 ZINC000963314567 1300578238 /nfs/dbraw/zinc/57/82/38/1300578238.db2.gz NGTQFZKDBZKIBB-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC3CCC3)C2)CCC1 ZINC000963314567 1300578242 /nfs/dbraw/zinc/57/82/42/1300578242.db2.gz NGTQFZKDBZKIBB-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCCF)C1)C1CCC1 ZINC000963315227 1300580928 /nfs/dbraw/zinc/58/09/28/1300580928.db2.gz RTGHHQRZSQDWHX-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCCF)C1)C1CCC1 ZINC000963315227 1300580933 /nfs/dbraw/zinc/58/09/33/1300580933.db2.gz RTGHHQRZSQDWHX-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CCCF)C2)CCC1 ZINC000963315199 1300581318 /nfs/dbraw/zinc/58/13/18/1300581318.db2.gz RIQUTTRCKDDXQU-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CCCF)C2)CCC1 ZINC000963315199 1300581322 /nfs/dbraw/zinc/58/13/22/1300581322.db2.gz RIQUTTRCKDDXQU-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365714 1300699507 /nfs/dbraw/zinc/69/95/07/1300699507.db2.gz HFIQVBHGROTBNJ-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365714 1300699520 /nfs/dbraw/zinc/69/95/20/1300699520.db2.gz HFIQVBHGROTBNJ-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365713 1300699811 /nfs/dbraw/zinc/69/98/11/1300699811.db2.gz HFIQVBHGROTBNJ-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365713 1300699825 /nfs/dbraw/zinc/69/98/25/1300699825.db2.gz HFIQVBHGROTBNJ-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384598 1300742648 /nfs/dbraw/zinc/74/26/48/1300742648.db2.gz VNHLQWSFSSNEFS-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC000963384598 1300742655 /nfs/dbraw/zinc/74/26/55/1300742655.db2.gz VNHLQWSFSSNEFS-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)CC1 ZINC000963384986 1300743543 /nfs/dbraw/zinc/74/35/43/1300743543.db2.gz YUHMIHRMIPKURC-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC3CC3)C2)CC1 ZINC000963384986 1300743546 /nfs/dbraw/zinc/74/35/46/1300743546.db2.gz YUHMIHRMIPKURC-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)N(C)C ZINC001110694622 1300761038 /nfs/dbraw/zinc/76/10/38/1300761038.db2.gz FMQFZQPGQJRXSJ-BGTYHANMSA-N 1 3 349.544 2.598 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)N(C)C ZINC001110694622 1300761044 /nfs/dbraw/zinc/76/10/44/1300761044.db2.gz FMQFZQPGQJRXSJ-BGTYHANMSA-N 1 3 349.544 2.598 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018155495 1313717130 /nfs/dbraw/zinc/71/71/30/1313717130.db2.gz SXBQDMSCYPCBQB-AHRSYUTCSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018159877 1313720059 /nfs/dbraw/zinc/72/00/59/1313720059.db2.gz SOUWLHQBJPOBQI-KDURUIRLSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C[C@@H]1C ZINC001237880328 1313725060 /nfs/dbraw/zinc/72/50/60/1313725060.db2.gz UFXOMZPBDVALNE-KSSFIOAISA-N 1 3 328.456 2.929 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)C(C(C)C)=NCC3)C[C@@H]1C ZINC001237880328 1313725062 /nfs/dbraw/zinc/72/50/62/1313725062.db2.gz UFXOMZPBDVALNE-KSSFIOAISA-N 1 3 328.456 2.929 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018176339 1313727615 /nfs/dbraw/zinc/72/76/15/1313727615.db2.gz GXAPDERQKWEGQG-MKXGPGLRSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001207609411 1313728990 /nfs/dbraw/zinc/72/89/90/1313728990.db2.gz ACBOJDPRBOQOQB-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC001207609411 1313728993 /nfs/dbraw/zinc/72/89/93/1313728993.db2.gz ACBOJDPRBOQOQB-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641575 1313737632 /nfs/dbraw/zinc/73/76/32/1313737632.db2.gz UHOWIROGZWMVDH-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641575 1313737635 /nfs/dbraw/zinc/73/76/35/1313737635.db2.gz UHOWIROGZWMVDH-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccc2c(CN3C[C@H]4CC[C@@H](C3)N4CC[NH+](C)C)cccc2n1 ZINC001278173269 1313741004 /nfs/dbraw/zinc/74/10/04/1313741004.db2.gz MJNGTFVDZPINJO-KDURUIRLSA-N 1 3 338.499 2.753 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C)N(C)C ZINC001207652867 1313741807 /nfs/dbraw/zinc/74/18/07/1313741807.db2.gz QFWNVCBVZSJXNB-ZACQAIPSSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C)N(C)C ZINC001207652867 1313741809 /nfs/dbraw/zinc/74/18/09/1313741809.db2.gz QFWNVCBVZSJXNB-ZACQAIPSSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246316662 1301122713 /nfs/dbraw/zinc/12/27/13/1301122713.db2.gz KEVZNEFSDRUKCR-IRXDYDNUSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246316662 1301122716 /nfs/dbraw/zinc/12/27/16/1301122716.db2.gz KEVZNEFSDRUKCR-IRXDYDNUSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000963786017 1301314886 /nfs/dbraw/zinc/31/48/86/1301314886.db2.gz ADERDMDUNIGSIX-PRYZXDJCSA-N 1 3 347.547 2.922 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207757446 1313766047 /nfs/dbraw/zinc/76/60/47/1313766047.db2.gz CHBCXEPXAJTBCT-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2C)C[C@H]1C ZINC001207757446 1313766051 /nfs/dbraw/zinc/76/60/51/1313766051.db2.gz CHBCXEPXAJTBCT-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207758181 1313766709 /nfs/dbraw/zinc/76/67/09/1313766709.db2.gz VWVKHDFTYALMKP-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001207758181 1313766711 /nfs/dbraw/zinc/76/67/11/1313766711.db2.gz VWVKHDFTYALMKP-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CCc2cccs2)CC1 ZINC000963955307 1301516403 /nfs/dbraw/zinc/51/64/03/1301516403.db2.gz KFVGFYKKHZRUHJ-UHFFFAOYSA-N 1 3 346.500 2.616 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000963955968 1301516506 /nfs/dbraw/zinc/51/65/06/1301516506.db2.gz XBYRLFWGUYIRPQ-UHFFFAOYSA-N 1 3 344.434 2.651 20 0 EFADHO C[C@H](F)CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789870 1313775499 /nfs/dbraw/zinc/77/54/99/1313775499.db2.gz HDIOIBFERHJRGS-HLLBOEOZSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@H](F)CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789870 1313775502 /nfs/dbraw/zinc/77/55/02/1313775502.db2.gz HDIOIBFERHJRGS-HLLBOEOZSA-N 1 3 341.515 2.824 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207800009 1313777930 /nfs/dbraw/zinc/77/79/30/1313777930.db2.gz KDLNUAKZPZBWCH-IWOQZAADSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207800009 1313777932 /nfs/dbraw/zinc/77/79/32/1313777932.db2.gz KDLNUAKZPZBWCH-IWOQZAADSA-N 1 3 335.536 2.900 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C2CCC([NH2+]CCF)CC2)c1 ZINC000964436476 1301833116 /nfs/dbraw/zinc/83/31/16/1301833116.db2.gz HMEMXJWAXIOJOY-UHFFFAOYSA-N 1 3 335.467 2.691 20 0 EFADHO NC(=O)CCCCC[NH+]1CCC2(CN(CCCC(F)(F)F)C2)CC1 ZINC001278217380 1313799193 /nfs/dbraw/zinc/79/91/93/1313799193.db2.gz DQCVQUKTYRZQSQ-UHFFFAOYSA-N 1 3 349.441 2.772 20 0 EFADHO CC1(C)CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+]2CCCCC2)C1 ZINC001018302194 1313801521 /nfs/dbraw/zinc/80/15/21/1313801521.db2.gz ATQWLLLTKQJMLX-KDURUIRLSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018306843 1313803537 /nfs/dbraw/zinc/80/35/37/1313803537.db2.gz SYTCBUYLTJYACA-KDURUIRLSA-N 1 3 329.488 2.837 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCCC1)N1CCCC1 ZINC001037057266 1302076605 /nfs/dbraw/zinc/07/66/05/1302076605.db2.gz SHTGXNSZYALKDI-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)N1CCCC1 ZINC001037057264 1302077295 /nfs/dbraw/zinc/07/72/95/1302077295.db2.gz SHTGXNSZYALKDI-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(CCN[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811706 1302378321 /nfs/dbraw/zinc/37/83/21/1302378321.db2.gz ATECENPRKDJDSI-JKSUJKDBSA-N 1 3 327.513 2.953 20 0 EFADHO CCCN(CCN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811706 1302378330 /nfs/dbraw/zinc/37/83/30/1302378330.db2.gz ATECENPRKDJDSI-JKSUJKDBSA-N 1 3 327.513 2.953 20 0 EFADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cnn(CC)c21 ZINC001208110910 1313849599 /nfs/dbraw/zinc/84/95/99/1313849599.db2.gz XWXHXDSYYVNIEB-QGZVFWFLSA-N 1 3 334.508 2.571 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097100928 1313852574 /nfs/dbraw/zinc/85/25/74/1313852574.db2.gz BVOKNLRUHVQIAQ-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001097100928 1313852578 /nfs/dbraw/zinc/85/25/78/1313852578.db2.gz BVOKNLRUHVQIAQ-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO CCOc1cccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC001208108217 1313848879 /nfs/dbraw/zinc/84/88/79/1313848879.db2.gz BFEHJOXXDYZLIX-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CN(C)CC1(C[NH+]2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)CCCC1 ZINC001208184834 1313863719 /nfs/dbraw/zinc/86/37/19/1313863719.db2.gz GTZKXIGBVHJWDM-WOJBJXKFSA-N 1 3 342.531 2.567 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184088 1313863769 /nfs/dbraw/zinc/86/37/69/1313863769.db2.gz IMCBKKQXYXTSBQ-ZFWWWQNUSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H](F)[C@](O)(C(F)(F)F)CC2)CCCC1 ZINC001208184088 1313863771 /nfs/dbraw/zinc/86/37/71/1313863771.db2.gz IMCBKKQXYXTSBQ-ZFWWWQNUSA-N 1 3 340.405 2.836 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)CCCC1 ZINC001208186696 1313864752 /nfs/dbraw/zinc/86/47/52/1313864752.db2.gz MTOJKXBNDRBQFH-DLBZAZTESA-N 1 3 345.487 2.548 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)CCCC1 ZINC001208186696 1313864755 /nfs/dbraw/zinc/86/47/55/1313864755.db2.gz MTOJKXBNDRBQFH-DLBZAZTESA-N 1 3 345.487 2.548 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CC2)C3)C1 ZINC000965034740 1302752053 /nfs/dbraw/zinc/75/20/53/1302752053.db2.gz LHJNAZZRLAHQKX-UHFFFAOYSA-N 1 3 333.520 2.535 20 0 EFADHO COc1cc(C)c(C)cc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001238763830 1313864841 /nfs/dbraw/zinc/86/48/41/1313864841.db2.gz ONIGGULZVFGBHG-UHFFFAOYSA-N 1 3 331.504 2.524 20 0 EFADHO CN(C)CC1(C[NH+]2CC(CCNC(=O)OC(C)(C)C)C2)CCCC1 ZINC001208186517 1313864878 /nfs/dbraw/zinc/86/48/78/1313864878.db2.gz SQNCWWBXWNZVLQ-UHFFFAOYSA-N 1 3 339.524 2.955 20 0 EFADHO COc1cccnc1O[C@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208189804 1313865681 /nfs/dbraw/zinc/86/56/81/1313865681.db2.gz YTJICYKKQJYPAW-INIZCTEOSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cccnc1O[C@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208189804 1313865684 /nfs/dbraw/zinc/86/56/84/1313865684.db2.gz YTJICYKKQJYPAW-INIZCTEOSA-N 1 3 333.476 2.665 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1)C2 ZINC000965065487 1302787975 /nfs/dbraw/zinc/78/79/75/1302787975.db2.gz XTVYUTPORATDAR-WOLZCAMPSA-N 1 3 341.499 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CCC2CCCC2)C3)C1 ZINC000965064990 1302789082 /nfs/dbraw/zinc/78/90/82/1302789082.db2.gz SROQTGKHIWDOMV-WOLZCAMPSA-N 1 3 347.547 2.926 20 0 EFADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H](O)c1ccccc1 ZINC000794615084 1302856825 /nfs/dbraw/zinc/85/68/25/1302856825.db2.gz UTGBWWWLEKAURU-NHCUHLMSSA-N 1 3 347.547 2.750 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368746 1302880118 /nfs/dbraw/zinc/88/01/18/1302880118.db2.gz RVBUPVMWDZMVPN-IXUQTXMESA-N 1 3 333.520 2.654 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001114368746 1302880123 /nfs/dbraw/zinc/88/01/23/1302880123.db2.gz RVBUPVMWDZMVPN-IXUQTXMESA-N 1 3 333.520 2.654 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404138 1303239295 /nfs/dbraw/zinc/23/92/95/1303239295.db2.gz CVSPMDAIZKCALJ-CQSZACIVSA-N 1 3 349.466 2.999 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404630 1303240345 /nfs/dbraw/zinc/24/03/45/1303240345.db2.gz ONVOPGAMZYVBKG-CQSZACIVSA-N 1 3 349.466 2.997 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865437507 1303256489 /nfs/dbraw/zinc/25/64/89/1303256489.db2.gz OSZFCZSDQLUWIZ-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccc(OC(F)F)cc2F)CC1 ZINC000865451273 1303262490 /nfs/dbraw/zinc/26/24/90/1303262490.db2.gz WWGNUEJBJJJYFU-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccc(OC(F)F)cc2F)CC1 ZINC000865451273 1303262499 /nfs/dbraw/zinc/26/24/99/1303262499.db2.gz WWGNUEJBJJJYFU-UHFFFAOYSA-N 1 3 345.409 2.544 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2N(C)C)C[C@@H](C)O1 ZINC000865470842 1303272049 /nfs/dbraw/zinc/27/20/49/1303272049.db2.gz HCGKEIKXNQYSHL-HZPDHXFCSA-N 1 3 337.483 2.871 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1)C1CC1 ZINC001208335707 1313902787 /nfs/dbraw/zinc/90/27/87/1313902787.db2.gz ZCZSRHSSPSJQTC-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1)C1CC1 ZINC001208335192 1313903108 /nfs/dbraw/zinc/90/31/08/1313903108.db2.gz RWYZQHALJYUKFW-PMACEKPBSA-N 1 3 343.515 2.540 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641328 1303346028 /nfs/dbraw/zinc/34/60/28/1303346028.db2.gz WFZVHKRPZIYBEL-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO C[N@H+]1CCCC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641328 1303346032 /nfs/dbraw/zinc/34/60/32/1303346032.db2.gz WFZVHKRPZIYBEL-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641328 1303346037 /nfs/dbraw/zinc/34/60/37/1303346037.db2.gz WFZVHKRPZIYBEL-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208361185 1313910953 /nfs/dbraw/zinc/91/09/53/1313910953.db2.gz BNEUXUOGLWOYLJ-UONOGXRCSA-N 1 3 348.318 2.760 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208361185 1313910957 /nfs/dbraw/zinc/91/09/57/1313910957.db2.gz BNEUXUOGLWOYLJ-UONOGXRCSA-N 1 3 348.318 2.760 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208361183 1313911042 /nfs/dbraw/zinc/91/10/42/1313911042.db2.gz BNEUXUOGLWOYLJ-KGLIPLIRSA-N 1 3 348.318 2.760 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208361183 1313911043 /nfs/dbraw/zinc/91/10/43/1313911043.db2.gz BNEUXUOGLWOYLJ-KGLIPLIRSA-N 1 3 348.318 2.760 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000965933178 1303466486 /nfs/dbraw/zinc/46/64/86/1303466486.db2.gz RASJKYMBFUGZNM-UHFFFAOYSA-N 1 3 341.499 2.789 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965932922 1303466936 /nfs/dbraw/zinc/46/69/36/1303466936.db2.gz DYZZYSZYTFYAQP-GRMYEKEESA-N 1 3 333.520 2.676 20 0 EFADHO CCCCOc1ccc(NC(=O)NCCCN(C)CCC[NH3+])cc1 ZINC001239231827 1313918001 /nfs/dbraw/zinc/91/80/01/1313918001.db2.gz SRZDJBRDNTUXGY-UHFFFAOYSA-N 1 3 336.480 2.658 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001208373972 1313913933 /nfs/dbraw/zinc/91/39/33/1313913933.db2.gz TTWQBBCIIMNKTF-IDVICZFGSA-N 1 3 343.515 2.867 20 0 EFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Nc1ccc2sccc2c1 ZINC001239214922 1313914435 /nfs/dbraw/zinc/91/44/35/1313914435.db2.gz IRIKVYLOGQTGDB-OAHLLOKOSA-N 1 3 344.484 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001208414325 1313923860 /nfs/dbraw/zinc/92/38/60/1313923860.db2.gz MLUGPDICXWJCEY-RTBURBONSA-N 1 3 331.504 2.540 20 0 EFADHO Cc1ccc(NC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001239307453 1313923899 /nfs/dbraw/zinc/92/38/99/1313923899.db2.gz CSOUSIWBMORDEI-HNNXBMFYSA-N 1 3 338.883 2.796 20 0 EFADHO CCCC[C@@H](CC)COC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001239340034 1313926956 /nfs/dbraw/zinc/92/69/56/1313926956.db2.gz IQFWVSBPBMJMHG-IAGOWNOFSA-N 1 3 327.513 2.955 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001208446940 1313930179 /nfs/dbraw/zinc/93/01/79/1313930179.db2.gz DIZUNVRCUZLJLZ-LSDHHAIUSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001208446937 1313930552 /nfs/dbraw/zinc/93/05/52/1313930552.db2.gz DIZUNVRCUZLJLZ-CABCVRRESA-N 1 3 345.478 2.733 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001208448025 1313931343 /nfs/dbraw/zinc/93/13/43/1313931343.db2.gz UAFHFQXJGBMMAV-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(Cl)cc1Cl ZINC001239396942 1313932861 /nfs/dbraw/zinc/93/28/61/1313932861.db2.gz RKEYGUSWDRRNDV-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO CCCCc1ccc(NC(=S)NCCC[NH2+]CCCN)c(C)c1 ZINC001239397215 1313932973 /nfs/dbraw/zinc/93/29/73/1313932973.db2.gz XNDMQMGJMMIAHI-UHFFFAOYSA-N 1 3 336.549 2.953 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001208454383 1313933320 /nfs/dbraw/zinc/93/33/20/1313933320.db2.gz WGUICCQLAPZXBJ-KRWDZBQOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001208453340 1313933462 /nfs/dbraw/zinc/93/34/62/1313933462.db2.gz FCUCBHIXZHMUGH-INIZCTEOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001208453340 1313933464 /nfs/dbraw/zinc/93/34/64/1313933464.db2.gz FCUCBHIXZHMUGH-INIZCTEOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037856066 1303726644 /nfs/dbraw/zinc/72/66/44/1303726644.db2.gz XHYZRJWLONTHLC-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001037861387 1303758442 /nfs/dbraw/zinc/75/84/42/1303758442.db2.gz REZVAEHZGHIKGE-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C(F)F)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491962 1313942942 /nfs/dbraw/zinc/94/29/42/1313942942.db2.gz BKFRRHUGNQAYTD-CZUORRHYSA-N 1 3 339.430 2.512 20 0 EFADHO c1ccc(CCN2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)cc1 ZINC000121726492 1303889315 /nfs/dbraw/zinc/88/93/15/1303889315.db2.gz TYYIKFNHFKKXLI-UHFFFAOYSA-N 1 3 327.516 2.910 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C)N(C)C ZINC001208515380 1313949915 /nfs/dbraw/zinc/94/99/15/1313949915.db2.gz KLIYHUBZQXJHEB-BHIYHBOVSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C)N(C)C ZINC001208515380 1313949919 /nfs/dbraw/zinc/94/99/19/1313949919.db2.gz KLIYHUBZQXJHEB-BHIYHBOVSA-N 1 3 349.563 2.980 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208515612 1313950399 /nfs/dbraw/zinc/95/03/99/1313950399.db2.gz WHKWOXFFVNTAMH-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001208515612 1313950402 /nfs/dbraw/zinc/95/04/02/1313950402.db2.gz WHKWOXFFVNTAMH-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515392 1313950707 /nfs/dbraw/zinc/95/07/07/1313950707.db2.gz KZCCNJWZAPCQKL-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001208515392 1313950708 /nfs/dbraw/zinc/95/07/08/1313950708.db2.gz KZCCNJWZAPCQKL-BHIYHBOVSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C)N(C)C ZINC001208530445 1313953624 /nfs/dbraw/zinc/95/36/24/1313953624.db2.gz VVZKMSPOUVLWAH-BHIYHBOVSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C)N(C)C ZINC001208530445 1313953627 /nfs/dbraw/zinc/95/36/27/1313953627.db2.gz VVZKMSPOUVLWAH-BHIYHBOVSA-N 1 3 335.536 2.900 20 0 EFADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000867987172 1304061604 /nfs/dbraw/zinc/06/16/04/1304061604.db2.gz HYPKEBZYIZZPIM-PNZZBJOSSA-N 1 3 327.472 2.965 20 0 EFADHO COc1ccc(-c2cnc(N3CC[NH2+]CC3)c(C)c2)cc1CN(C)C ZINC001239739894 1313960267 /nfs/dbraw/zinc/96/02/67/1313960267.db2.gz WKKRZNWXMTWSOX-UHFFFAOYSA-N 1 3 340.471 2.537 20 0 EFADHO CC[NH+]1CCC(CN2CCN(c3nccc4occc43)CC2)CC1 ZINC001208597506 1313971813 /nfs/dbraw/zinc/97/18/13/1313971813.db2.gz IGNGNEBIIUCGLC-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO CCOc1cccc(N2CCN(CC3CC[NH+](CC)CC3)CC2)c1 ZINC001208602128 1313973563 /nfs/dbraw/zinc/97/35/63/1313973563.db2.gz YPBLXGSXNMLFTD-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CN1CCC[C@@H](C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001208613138 1313979552 /nfs/dbraw/zinc/97/95/52/1313979552.db2.gz PZYBEUYKIWNFHU-LLVKDONJSA-N 1 3 332.370 2.610 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612888 1313979743 /nfs/dbraw/zinc/97/97/43/1313979743.db2.gz GOPBNJJLWCZSJF-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612888 1313979746 /nfs/dbraw/zinc/97/97/46/1313979746.db2.gz GOPBNJJLWCZSJF-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO Cc1ccc2nc(C3CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)nn2c1 ZINC001208614786 1313980980 /nfs/dbraw/zinc/98/09/80/1313980980.db2.gz VGFFSMNJFKBKPK-MRXNPFEDSA-N 1 3 327.476 2.559 20 0 EFADHO Cc1ccc2nc(C3CCN(C[C@@H]4CCC[N@H+](C)C4)CC3)nn2c1 ZINC001208614786 1313980983 /nfs/dbraw/zinc/98/09/83/1313980983.db2.gz VGFFSMNJFKBKPK-MRXNPFEDSA-N 1 3 327.476 2.559 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001208615937 1313981410 /nfs/dbraw/zinc/98/14/10/1313981410.db2.gz IZFPXLCQOVFTLB-HXUWFJFHSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001208615937 1313981411 /nfs/dbraw/zinc/98/14/11/1313981411.db2.gz IZFPXLCQOVFTLB-HXUWFJFHSA-N 1 3 327.516 2.926 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619110 1313982730 /nfs/dbraw/zinc/98/27/30/1313982730.db2.gz VQPXBQJTMGTHLK-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619110 1313982733 /nfs/dbraw/zinc/98/27/33/1313982733.db2.gz VQPXBQJTMGTHLK-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO CC(=O)N1CCC(CN2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208677406 1313992189 /nfs/dbraw/zinc/99/21/89/1313992189.db2.gz UNSVHOSBLWCMPV-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC001208677406 1313992192 /nfs/dbraw/zinc/99/21/92/1313992192.db2.gz UNSVHOSBLWCMPV-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001208675332 1313992450 /nfs/dbraw/zinc/99/24/50/1313992450.db2.gz KWWYAUVMHGODEI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(=O)N1CCC(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001208675332 1313992453 /nfs/dbraw/zinc/99/24/53/1313992453.db2.gz KWWYAUVMHGODEI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CCc1cccc2c(CN3CC4(C3)CC[N@H+](CCN(C)C)C4)c[nH]c21 ZINC001276579678 1313997159 /nfs/dbraw/zinc/99/71/59/1313997159.db2.gz BWHBRINYJFQBIN-UHFFFAOYSA-N 1 3 340.515 2.800 20 0 EFADHO CCc1cccc2c(CN3CC4(C3)CC[N@@H+](CCN(C)C)C4)c[nH]c21 ZINC001276579678 1313997163 /nfs/dbraw/zinc/99/71/63/1313997163.db2.gz BWHBRINYJFQBIN-UHFFFAOYSA-N 1 3 340.515 2.800 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203589 1304748529 /nfs/dbraw/zinc/74/85/29/1304748529.db2.gz FDDTXWHOAUOPKY-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203589 1304748533 /nfs/dbraw/zinc/74/85/33/1304748533.db2.gz FDDTXWHOAUOPKY-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750090 1314008467 /nfs/dbraw/zinc/00/84/67/1314008467.db2.gz YGGTTWHPXMDMLX-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](CCC(=O)OC)C[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001208799068 1314018890 /nfs/dbraw/zinc/01/88/90/1314018890.db2.gz XMWABHXPXLAQJM-FUHWJXTLSA-N 1 3 340.508 2.541 20 0 EFADHO CC[C@H](CCC(=O)OC)C[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001208799069 1314019345 /nfs/dbraw/zinc/01/93/45/1314019345.db2.gz XMWABHXPXLAQJM-SJLPKXTDSA-N 1 3 340.508 2.541 20 0 EFADHO C[NH+](C)CCCN1CCN(CCCCCOCc2ccccc2)CC1 ZINC001208812443 1314021360 /nfs/dbraw/zinc/02/13/60/1314021360.db2.gz JKTFESCWWDRCSG-UHFFFAOYSA-N 1 3 347.547 2.943 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001037935129 1304972534 /nfs/dbraw/zinc/97/25/34/1304972534.db2.gz PCLPEYTVOQZUIG-PKOBYXMFSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1scnc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276597999 1314043866 /nfs/dbraw/zinc/04/38/66/1314043866.db2.gz CECLITLORICDRP-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO Cc1scnc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276597999 1314043870 /nfs/dbraw/zinc/04/38/70/1314043870.db2.gz CECLITLORICDRP-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO CC(C)(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430534 1314046995 /nfs/dbraw/zinc/04/69/95/1314046995.db2.gz LEKYMFWCUVLXBM-ZACQAIPSSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCCN1CCC3)C2 ZINC001097430534 1314047000 /nfs/dbraw/zinc/04/70/00/1314047000.db2.gz LEKYMFWCUVLXBM-ZACQAIPSSA-N 1 3 333.520 2.773 20 0 EFADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718794 1305359582 /nfs/dbraw/zinc/35/95/82/1305359582.db2.gz UWCRBOKJVYPGKS-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718794 1305359593 /nfs/dbraw/zinc/35/95/93/1305359593.db2.gz UWCRBOKJVYPGKS-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cnc(-c2ccc(C3(N4CCN(C)CC4)CC3)cc2)c(C[NH3+])c1 ZINC001240573254 1314048825 /nfs/dbraw/zinc/04/88/25/1314048825.db2.gz XTVUPRNLBFWMKV-UHFFFAOYSA-N 1 3 336.483 2.752 20 0 EFADHO CN1CCN(C2(c3ccc(-c4cnc5c(c4)C[NH2+]CC5)cc3)CC2)CC1 ZINC001240590072 1314052348 /nfs/dbraw/zinc/05/23/48/1314052348.db2.gz XKGQFPCZFAISAK-UHFFFAOYSA-N 1 3 348.494 2.631 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942098 1314053011 /nfs/dbraw/zinc/05/30/11/1314053011.db2.gz GORFZNSGFADDTR-LEWJYISDSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942098 1314053014 /nfs/dbraw/zinc/05/30/14/1314053014.db2.gz GORFZNSGFADDTR-LEWJYISDSA-N 1 3 343.515 2.841 20 0 EFADHO CCOC(=O)C1CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208943236 1314053968 /nfs/dbraw/zinc/05/39/68/1314053968.db2.gz SHKJJMZIJTUAHJ-GOSISDBHSA-N 1 3 330.472 2.784 20 0 EFADHO O=C1OCCC12CCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208945019 1314054824 /nfs/dbraw/zinc/05/48/24/1314054824.db2.gz QVTCRPWRXDBIBY-IBGZPJMESA-N 1 3 342.483 2.928 20 0 EFADHO O=C1OCCC12CCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208945019 1314054828 /nfs/dbraw/zinc/05/48/28/1314054828.db2.gz QVTCRPWRXDBIBY-IBGZPJMESA-N 1 3 342.483 2.928 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC001208946795 1314055770 /nfs/dbraw/zinc/05/57/70/1314055770.db2.gz WVGPKTMNSFKCRA-NJYVYQBISA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C[C@@H]21 ZINC001208946795 1314055772 /nfs/dbraw/zinc/05/57/72/1314055772.db2.gz WVGPKTMNSFKCRA-NJYVYQBISA-N 1 3 327.516 2.925 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952827 1314056009 /nfs/dbraw/zinc/05/60/09/1314056009.db2.gz MFSLURTVYUYVFN-SFHVURJKSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952827 1314056011 /nfs/dbraw/zinc/05/60/11/1314056011.db2.gz MFSLURTVYUYVFN-SFHVURJKSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956815 1314058472 /nfs/dbraw/zinc/05/84/72/1314058472.db2.gz INHGZLMXMPIPAN-VQTJNVASSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956815 1314058473 /nfs/dbraw/zinc/05/84/73/1314058473.db2.gz INHGZLMXMPIPAN-VQTJNVASSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000967924470 1305605901 /nfs/dbraw/zinc/60/59/01/1305605901.db2.gz IOSFPWLUBMWSPQ-RTBURBONSA-N 1 3 343.515 2.769 20 0 EFADHO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000870876089 1305647168 /nfs/dbraw/zinc/64/71/68/1305647168.db2.gz XNWXLMZVIDFUDF-CALCHBBNSA-N 1 3 347.528 2.734 20 0 EFADHO C[C@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC000870895674 1305664575 /nfs/dbraw/zinc/66/45/75/1305664575.db2.gz GGQPPJNOENOURQ-YTQUADARSA-N 1 3 329.488 2.627 20 0 EFADHO CN(C(=O)c1ccn2c[nH+]cc2c1)C1CN(CC2CC3(CCC3)C2)C1 ZINC001043232670 1305669411 /nfs/dbraw/zinc/66/94/11/1305669411.db2.gz PZGQNSMUCXBVRH-UHFFFAOYSA-N 1 3 338.455 2.671 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC000870905892 1305671742 /nfs/dbraw/zinc/67/17/42/1305671742.db2.gz GDDRHRLPEQOFLM-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870964100 1305714340 /nfs/dbraw/zinc/71/43/40/1305714340.db2.gz SEECTUZJCAPAEB-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)C12CC(NCc3cc(C)c(C)o3)(C1)C2 ZINC001278321476 1314082486 /nfs/dbraw/zinc/08/24/86/1314082486.db2.gz LFUOGQLAQBHLPV-UHFFFAOYSA-N 1 3 347.503 2.709 20 0 EFADHO COc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246110711 1314584803 /nfs/dbraw/zinc/58/48/03/1314584803.db2.gz UTAGTZNDWNLBDX-PBWFPOADSA-N 1 3 339.277 2.873 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(CC(C)(C)OCC)CC1 ZINC001209076625 1314085245 /nfs/dbraw/zinc/08/52/45/1314085245.db2.gz QGWJCKMZAGZANQ-UHFFFAOYSA-N 1 3 327.557 2.931 20 0 EFADHO Cc1ccc(CN2CC[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000968188888 1305964230 /nfs/dbraw/zinc/96/42/30/1305964230.db2.gz DULVITFBHAVUKW-YLJYHZDGSA-N 1 3 343.515 2.663 20 0 EFADHO CCn1ccnc1CN1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001276620344 1314102141 /nfs/dbraw/zinc/10/21/41/1314102141.db2.gz GDSYJPCVXYYNLX-UHFFFAOYSA-N 1 3 345.516 2.766 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCN[C@@H](CC)C1 ZINC001246889069 1314703967 /nfs/dbraw/zinc/70/39/67/1314703967.db2.gz CSOOQLSPHDOSRC-GVDBMIGSSA-N 1 3 328.497 2.587 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018962710 1314112762 /nfs/dbraw/zinc/11/27/62/1314112762.db2.gz JNVNDKGYNRMHSJ-KRWDZBQOSA-N 1 3 349.906 2.823 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CC1 ZINC001018966789 1314113844 /nfs/dbraw/zinc/11/38/44/1314113844.db2.gz SPANECHCBPXPKO-AZUAARDMSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018966571 1314113858 /nfs/dbraw/zinc/11/38/58/1314113858.db2.gz MQYCEHBFXMIHDA-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c(Cl)c1 ZINC001018966602 1314114098 /nfs/dbraw/zinc/11/40/98/1314114098.db2.gz NIQNKGDGVCVUNM-WMZOPIPTSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cncc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001276624410 1314116613 /nfs/dbraw/zinc/11/66/13/1314116613.db2.gz WZXYNCCKCLUJBF-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cncc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c1 ZINC001276624410 1314116616 /nfs/dbraw/zinc/11/66/16/1314116616.db2.gz WZXYNCCKCLUJBF-HXUWFJFHSA-N 1 3 330.520 2.630 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001018971642 1314117320 /nfs/dbraw/zinc/11/73/20/1314117320.db2.gz MALDGIRETYXIQI-YOEHRIQHSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493497 1306396821 /nfs/dbraw/zinc/39/68/21/1306396821.db2.gz SGFJKKSAOAYRAV-PKOBYXMFSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001018999588 1314126871 /nfs/dbraw/zinc/12/68/71/1314126871.db2.gz YJGDYXMKACTQKL-JYJNAYRXSA-N 1 3 345.478 2.589 20 0 EFADHO [NH3+]C1CCN(c2nccc(C3=CCN(Cc4ccccc4)CC3)n2)CC1 ZINC001241502745 1314126943 /nfs/dbraw/zinc/12/69/43/1314126943.db2.gz UOTPNQHCQXAXKG-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001019000565 1314127108 /nfs/dbraw/zinc/12/71/08/1314127108.db2.gz BYWCLCRKCXTLSF-IRXDYDNUSA-N 1 3 337.895 2.617 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001019000535 1314127357 /nfs/dbraw/zinc/12/73/57/1314127357.db2.gz AMWVQZUSBGQUKD-AOIWGVFYSA-N 1 3 331.504 2.833 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921063 1306487253 /nfs/dbraw/zinc/48/72/53/1306487253.db2.gz GCCMQDWCJOAJKB-YRXWBPOGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921063 1306487255 /nfs/dbraw/zinc/48/72/55/1306487255.db2.gz GCCMQDWCJOAJKB-YRXWBPOGSA-N 1 3 335.536 2.734 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673534 1306556225 /nfs/dbraw/zinc/55/62/25/1306556225.db2.gz KNEMHGXKDDBARP-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673534 1306556230 /nfs/dbraw/zinc/55/62/30/1306556230.db2.gz KNEMHGXKDDBARP-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674305 1306557374 /nfs/dbraw/zinc/55/73/74/1306557374.db2.gz QKJLXLOALYAFMW-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674305 1306557376 /nfs/dbraw/zinc/55/73/76/1306557376.db2.gz QKJLXLOALYAFMW-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO c1ccc(C[N@H+]2CC[C@]3(CCN(CCCC4OCCO4)C3)C2)cc1 ZINC001209306941 1314136520 /nfs/dbraw/zinc/13/65/20/1314136520.db2.gz FWOMJLCJWHCJMP-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO c1ccc(C[N@@H+]2CC[C@]3(CCN(CCCC4OCCO4)C3)C2)cc1 ZINC001209306941 1314136523 /nfs/dbraw/zinc/13/65/23/1314136523.db2.gz FWOMJLCJWHCJMP-FQEVSTJZSA-N 1 3 330.472 2.738 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627761 1306671119 /nfs/dbraw/zinc/67/11/19/1306671119.db2.gz CFBOLMRYRDEIPU-NVXWUHKLSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044630486 1306674182 /nfs/dbraw/zinc/67/41/82/1306674182.db2.gz WTNNZRYWQOFDPN-MJGOQNOKSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1)N(C)C ZINC001019033339 1314143661 /nfs/dbraw/zinc/14/36/61/1314143661.db2.gz JRTKWOGFNVUUSA-OKZBNKHCSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001019034938 1314144201 /nfs/dbraw/zinc/14/42/01/1314144201.db2.gz UHGDEQLLJJRIGK-XOKHGSTOSA-N 1 3 337.895 2.932 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968882119 1306754566 /nfs/dbraw/zinc/75/45/66/1306754566.db2.gz HJOREFAMTJGCKL-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968882119 1306754571 /nfs/dbraw/zinc/75/45/71/1306754571.db2.gz HJOREFAMTJGCKL-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044752617 1306772449 /nfs/dbraw/zinc/77/24/49/1306772449.db2.gz YNBSWDGRBNFCQX-YJBOKZPZSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044752394 1306772622 /nfs/dbraw/zinc/77/26/22/1306772622.db2.gz XTJMKDKVKMWDDX-WMZOPIPTSA-N 1 3 340.471 2.738 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c1 ZINC001044752612 1306773039 /nfs/dbraw/zinc/77/30/39/1306773039.db2.gz YNBSWDGRBNFCQX-CRAIPNDOSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c(C)s1 ZINC001044757003 1306776777 /nfs/dbraw/zinc/77/67/77/1306776777.db2.gz SEXGFJZEQRVXAP-MLGOLLRUSA-N 1 3 346.500 2.800 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)CCC1 ZINC000968904036 1306777176 /nfs/dbraw/zinc/77/71/76/1306777176.db2.gz HGZVFDLKSFUNRV-GFCCVEGCSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968907864 1306781457 /nfs/dbraw/zinc/78/14/57/1306781457.db2.gz WNIFUMOKEKXSPM-DLBZAZTESA-N 1 3 329.488 2.731 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC000968913003 1306787628 /nfs/dbraw/zinc/78/76/28/1306787628.db2.gz ZWSYPWOCQIPANP-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916021 1306791543 /nfs/dbraw/zinc/79/15/43/1306791543.db2.gz WQGVSGZPZMZQHL-AEFFLSMTSA-N 1 3 347.528 2.846 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916021 1306791549 /nfs/dbraw/zinc/79/15/49/1306791549.db2.gz WQGVSGZPZMZQHL-AEFFLSMTSA-N 1 3 347.528 2.846 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC000968922114 1306798687 /nfs/dbraw/zinc/79/86/87/1306798687.db2.gz QQELNFZKLCYANZ-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000968921655 1306798704 /nfs/dbraw/zinc/79/87/04/1306798704.db2.gz DISXNPZVDORPML-MJGOQNOKSA-N 1 3 347.478 2.952 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC000968924532 1306802243 /nfs/dbraw/zinc/80/22/43/1306802243.db2.gz OLWRLHLKEPNYAG-MRXNPFEDSA-N 1 3 335.879 2.515 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@@H]2C)CC1 ZINC001044792887 1306805041 /nfs/dbraw/zinc/80/50/41/1306805041.db2.gz MVOTTWNLYLINOI-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[NH+]1C[C@@H]2CN(CCCCCNC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209377107 1314150014 /nfs/dbraw/zinc/15/00/14/1314150014.db2.gz XRWYXFNBAPKTPJ-IAGOWNOFSA-N 1 3 339.524 2.955 20 0 EFADHO CCCN1C[C@@H]2C[NH+](CCCCCNC(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209377107 1314150016 /nfs/dbraw/zinc/15/00/16/1314150016.db2.gz XRWYXFNBAPKTPJ-IAGOWNOFSA-N 1 3 339.524 2.955 20 0 EFADHO C[NH+](C)C[C@@]12C[C@@H]1CN(CCCCCNC(=O)OC(C)(C)C)C2 ZINC001209376892 1314150143 /nfs/dbraw/zinc/15/01/43/1314150143.db2.gz TWHJAAPIXQDRBF-CRAIPNDOSA-N 1 3 325.497 2.565 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000968989250 1306866230 /nfs/dbraw/zinc/86/62/30/1306866230.db2.gz GOHSIXNYNSHTNP-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968989741 1306866328 /nfs/dbraw/zinc/86/63/28/1306866328.db2.gz LJJOZAUHSIZYNQ-MOPGFXCFSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC000968989562 1306866371 /nfs/dbraw/zinc/86/63/71/1306866371.db2.gz JBGSGLGRYVIWBB-QYZOEREBSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)s1 ZINC000968989778 1306866457 /nfs/dbraw/zinc/86/64/57/1306866457.db2.gz LTDZAPRGTFNMPG-SJORKVTESA-N 1 3 337.533 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC000968989670 1306866468 /nfs/dbraw/zinc/86/64/68/1306866468.db2.gz KIYWRQYXIQNWGC-OLMNPRSZSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044857214 1306867515 /nfs/dbraw/zinc/86/75/15/1306867515.db2.gz GHDSLWCDGCBXNH-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857194 1306867796 /nfs/dbraw/zinc/86/77/96/1306867796.db2.gz GCHGDFGPISSOIA-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC001044858266 1306868288 /nfs/dbraw/zinc/86/82/88/1306868288.db2.gz QZLXOCPFLSUERF-DOTOQJQBSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044858276 1306868496 /nfs/dbraw/zinc/86/84/96/1306868496.db2.gz RAOOVKVXNPNBFS-QFBILLFUSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044857852 1306868562 /nfs/dbraw/zinc/86/85/62/1306868562.db2.gz OLRRFIMCIFGYMP-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000968996766 1306873123 /nfs/dbraw/zinc/87/31/23/1306873123.db2.gz OWQCAUNGLWDEHA-UXHICEINSA-N 1 3 345.531 2.568 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c(C)s1 ZINC001044865084 1306876366 /nfs/dbraw/zinc/87/63/66/1306876366.db2.gz NGPFTBULEJFNLX-KBXCAEBGSA-N 1 3 349.544 2.930 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC000969074575 1306948306 /nfs/dbraw/zinc/94/83/06/1306948306.db2.gz JOBQAQOYUXAMIV-RTBURBONSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000969074548 1306948403 /nfs/dbraw/zinc/94/84/03/1306948403.db2.gz IMWQCGYRPZOFQU-IEBWSBKVSA-N 1 3 331.504 2.643 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC000969076519 1306950221 /nfs/dbraw/zinc/95/02/21/1306950221.db2.gz AETKPQDGHOFJAT-HZPDHXFCSA-N 1 3 339.430 2.655 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001044958666 1306955015 /nfs/dbraw/zinc/95/50/15/1306955015.db2.gz QVNLBRUOJNSUSY-ICSRJNTNSA-N 1 3 343.515 2.787 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001044960090 1306955841 /nfs/dbraw/zinc/95/58/41/1306955841.db2.gz VNRAXVRGZVJDIT-FUHWJXTLSA-N 1 3 341.455 2.608 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001044959775 1306956160 /nfs/dbraw/zinc/95/61/60/1306956160.db2.gz MEFDXQKOGCGHGW-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001044958948 1306956353 /nfs/dbraw/zinc/95/63/53/1306956353.db2.gz YDZBMFXUKFYLRX-IRXDYDNUSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1C[C@@H]1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209410845 1314158450 /nfs/dbraw/zinc/15/84/50/1314158450.db2.gz ASIXZUYHDJALFT-PKOBYXMFSA-N 1 3 329.488 2.652 20 0 EFADHO C[C@@H]1C[C@H]1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209410841 1314158533 /nfs/dbraw/zinc/15/85/33/1314158533.db2.gz ASIXZUYHDJALFT-MJGOQNOKSA-N 1 3 329.488 2.652 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001045067398 1307030407 /nfs/dbraw/zinc/03/04/07/1307030407.db2.gz PZCNZMCKXIOYCH-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001045068488 1307032169 /nfs/dbraw/zinc/03/21/69/1307032169.db2.gz MYKBAACCFQDAPG-SFHVURJKSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001045070507 1307032898 /nfs/dbraw/zinc/03/28/98/1307032898.db2.gz ILPOFQRNTRFCLY-LPHOPBHVSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c(C)s1 ZINC001045068856 1307032940 /nfs/dbraw/zinc/03/29/40/1307032940.db2.gz RUMVUYBEKLICSW-ROUUACIJSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001045068150 1307033006 /nfs/dbraw/zinc/03/30/06/1307033006.db2.gz JANDPOYEFFRRML-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045075823 1307036153 /nfs/dbraw/zinc/03/61/53/1307036153.db2.gz GWOPAODEMDHGPK-ROUUACIJSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045075823 1307036158 /nfs/dbraw/zinc/03/61/58/1307036158.db2.gz GWOPAODEMDHGPK-ROUUACIJSA-N 1 3 347.478 2.781 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001111452940 1314162664 /nfs/dbraw/zinc/16/26/64/1314162664.db2.gz FMJJREMEGKXCNY-AQNXPRMDSA-N 1 3 341.499 2.784 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001045089153 1307045173 /nfs/dbraw/zinc/04/51/73/1307045173.db2.gz BTHHVCVUMNVYOW-DLBZAZTESA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001045089209 1307045742 /nfs/dbraw/zinc/04/57/42/1307045742.db2.gz DAGYYQAEFCGHFK-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCc2ccc(Cl)cc2F)C1 ZINC001209444124 1314163385 /nfs/dbraw/zinc/16/33/85/1314163385.db2.gz DGCGWSSAVTXURT-HNNXBMFYSA-N 1 3 341.858 2.511 20 0 EFADHO CCC[C@@H](COC)N(CCC[NH+]1CCCCC1)CCC(=O)OCC ZINC001209452708 1314165927 /nfs/dbraw/zinc/16/59/27/1314165927.db2.gz SEUSULPZLXPTIR-SFHVURJKSA-N 1 3 342.524 2.933 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001045199626 1307133804 /nfs/dbraw/zinc/13/38/04/1307133804.db2.gz GCQJOWCPLZXSBE-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001045199521 1307133976 /nfs/dbraw/zinc/13/39/76/1307133976.db2.gz COYCCKCWFKXHHS-PXNSSMCTSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001045199650 1307134170 /nfs/dbraw/zinc/13/41/70/1307134170.db2.gz GYHDOXURHYUSPK-APWZRJJASA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001045200813 1307135750 /nfs/dbraw/zinc/13/57/50/1307135750.db2.gz QIXRYZDEUMTQKQ-APWZRJJASA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)cs1 ZINC001045201343 1307135901 /nfs/dbraw/zinc/13/59/01/1307135901.db2.gz ASQSHUFZWNDUJN-KRWDZBQOSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015563 1307144844 /nfs/dbraw/zinc/14/48/44/1307144844.db2.gz KMWYYJBQBODHBR-DRMAHVMPSA-N 1 3 339.499 2.576 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001096015563 1307144840 /nfs/dbraw/zinc/14/48/40/1307144840.db2.gz KMWYYJBQBODHBR-DRMAHVMPSA-N 1 3 339.499 2.576 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001045219094 1307149274 /nfs/dbraw/zinc/14/92/74/1307149274.db2.gz GTATXEWJTIEIMW-AEFFLSMTSA-N 1 3 340.471 2.911 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001255948526 1315883056 /nfs/dbraw/zinc/88/30/56/1315883056.db2.gz MTYCLXXUMKHANP-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)cs1 ZINC001045251521 1307175580 /nfs/dbraw/zinc/17/55/80/1307175580.db2.gz WUHFLRZKBHSXKA-SFHVURJKSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC001045310926 1307230161 /nfs/dbraw/zinc/23/01/61/1307230161.db2.gz WUBIQOYPNSNMQC-MSOLQXFVSA-N 1 3 329.488 2.732 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC001045309953 1307230376 /nfs/dbraw/zinc/23/03/76/1307230376.db2.gz FSTXQKRONZNLCA-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001045321473 1307240380 /nfs/dbraw/zinc/24/03/80/1307240380.db2.gz RUPXPQJLNRDYIN-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007330081 1307371717 /nfs/dbraw/zinc/37/17/17/1307371717.db2.gz XCTWOKPQSVUHTB-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007330081 1307371720 /nfs/dbraw/zinc/37/17/20/1307371720.db2.gz XCTWOKPQSVUHTB-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001007376713 1307397825 /nfs/dbraw/zinc/39/78/25/1307397825.db2.gz LIJKGJSMEZQJDQ-BPQIPLTHSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001007376713 1307397829 /nfs/dbraw/zinc/39/78/29/1307397829.db2.gz LIJKGJSMEZQJDQ-BPQIPLTHSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001045536499 1307410167 /nfs/dbraw/zinc/41/01/67/1307410167.db2.gz XPKCPOHRIJYXLI-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2(C)CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001045536499 1307410168 /nfs/dbraw/zinc/41/01/68/1307410168.db2.gz XPKCPOHRIJYXLI-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC001045556045 1307427494 /nfs/dbraw/zinc/42/74/94/1307427494.db2.gz CURVFPQVTBJTTN-PBHICJAKSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC001045556045 1307427497 /nfs/dbraw/zinc/42/74/97/1307427497.db2.gz CURVFPQVTBJTTN-PBHICJAKSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1n[nH]cc1CN1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001209555520 1314188225 /nfs/dbraw/zinc/18/82/25/1314188225.db2.gz DNRJWICFCQBXSK-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1n[nH]cc1CN1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001209555520 1314188229 /nfs/dbraw/zinc/18/82/29/1314188229.db2.gz DNRJWICFCQBXSK-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639942 1307492353 /nfs/dbraw/zinc/49/23/53/1307492353.db2.gz VVPYFVIOZFZGNA-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045639942 1307492358 /nfs/dbraw/zinc/49/23/58/1307492358.db2.gz VVPYFVIOZFZGNA-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640146 1307492426 /nfs/dbraw/zinc/49/24/26/1307492426.db2.gz GWKQGYWYXHSBCK-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640146 1307492432 /nfs/dbraw/zinc/49/24/32/1307492432.db2.gz GWKQGYWYXHSBCK-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@@H+](CC(C)(C)CN(C)C)[C@@H]2C1 ZINC001276654000 1314192845 /nfs/dbraw/zinc/19/28/45/1314192845.db2.gz ADQQKPBNMZXPSS-IPMKNSEASA-N 1 3 345.531 2.629 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](CC(C)(C)CN(C)C)[C@@H]2C1 ZINC001276654000 1314192847 /nfs/dbraw/zinc/19/28/47/1314192847.db2.gz ADQQKPBNMZXPSS-IPMKNSEASA-N 1 3 345.531 2.629 20 0 EFADHO CCOC(=O)c1c(C)[nH]c(CN2CCC3(C2)CC[NH+](C)CC3)c1C ZINC001209610804 1314199754 /nfs/dbraw/zinc/19/97/54/1314199754.db2.gz LSLRRTWMQLTGIL-UHFFFAOYSA-N 1 3 333.476 2.726 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccsc2)CC1 ZINC001045841178 1307727976 /nfs/dbraw/zinc/72/79/76/1307727976.db2.gz MQCBNJJZJPBXPW-MSOLQXFVSA-N 1 3 347.528 2.655 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900175129 1307743865 /nfs/dbraw/zinc/74/38/65/1307743865.db2.gz SRHGBLYIZGVOCN-RDJZCZTQSA-N 1 3 331.460 2.712 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900175129 1307743868 /nfs/dbraw/zinc/74/38/68/1307743868.db2.gz SRHGBLYIZGVOCN-RDJZCZTQSA-N 1 3 331.460 2.712 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)C1 ZINC001209641354 1314206748 /nfs/dbraw/zinc/20/67/48/1314206748.db2.gz JARHTDMQXWPYHY-YUSJOORSSA-N 1 3 345.890 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001209643399 1314207785 /nfs/dbraw/zinc/20/77/85/1314207785.db2.gz SYBRNFWXEKXUKD-AEFFLSMTSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209644006 1314208732 /nfs/dbraw/zinc/20/87/32/1314208732.db2.gz YHRZVFJKXIJZEH-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008052374 1307786945 /nfs/dbraw/zinc/78/69/45/1307786945.db2.gz KYYGZPUWHJCPBY-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001008052374 1307786948 /nfs/dbraw/zinc/78/69/48/1307786948.db2.gz KYYGZPUWHJCPBY-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052415 1307787286 /nfs/dbraw/zinc/78/72/86/1307787286.db2.gz LFQIGFQUOLLJTP-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)[C@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052415 1307787288 /nfs/dbraw/zinc/78/72/88/1307787288.db2.gz LFQIGFQUOLLJTP-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO O=C(N[C@@H]1CCCN(CC2=CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001008065856 1307795488 /nfs/dbraw/zinc/79/54/88/1307795488.db2.gz LGDUNQOWVFKOOB-WOJBJXKFSA-N 1 3 345.531 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001209669816 1314213829 /nfs/dbraw/zinc/21/38/29/1314213829.db2.gz UVNMKIGEIIOJAX-PMACEKPBSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ncsc1CN1C[C@@H]2CCN(CC(C)(C)C[NH+](C)C)[C@@H]2C1 ZINC001276658903 1314214569 /nfs/dbraw/zinc/21/45/69/1314214569.db2.gz ZLCKOLROJDTLRX-JKSUJKDBSA-N 1 3 336.549 2.545 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001209688945 1314217112 /nfs/dbraw/zinc/21/71/12/1314217112.db2.gz HMMHADPQLIJWBV-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001209689342 1314217272 /nfs/dbraw/zinc/21/72/72/1314217272.db2.gz KNHYFTRVLXUJMK-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209690167 1314217779 /nfs/dbraw/zinc/21/77/79/1314217779.db2.gz PBYUCJYPOHAWME-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942991 1307955278 /nfs/dbraw/zinc/95/52/78/1307955278.db2.gz DUXKAXFCRUSVMV-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942991 1307955281 /nfs/dbraw/zinc/95/52/81/1307955281.db2.gz DUXKAXFCRUSVMV-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943692 1307957466 /nfs/dbraw/zinc/95/74/66/1307957466.db2.gz MPOGGCCDFTWLET-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)C1CCC1)C2 ZINC001045943692 1307957463 /nfs/dbraw/zinc/95/74/63/1307957463.db2.gz MPOGGCCDFTWLET-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001045944465 1307961362 /nfs/dbraw/zinc/96/13/62/1307961362.db2.gz BQLXHNSSKHTIDR-HKUYNNGSSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001045944465 1307961365 /nfs/dbraw/zinc/96/13/65/1307961365.db2.gz BQLXHNSSKHTIDR-HKUYNNGSSA-N 1 3 341.515 2.637 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300950 1307974332 /nfs/dbraw/zinc/97/43/32/1307974332.db2.gz WTYGIMONGCVMCT-BJLQDIEVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008300950 1307974335 /nfs/dbraw/zinc/97/43/35/1307974335.db2.gz WTYGIMONGCVMCT-BJLQDIEVSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965052 1308018827 /nfs/dbraw/zinc/01/88/27/1308018827.db2.gz BSFAVYXGQGEZRF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965052 1308018832 /nfs/dbraw/zinc/01/88/32/1308018832.db2.gz BSFAVYXGQGEZRF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965053 1308018932 /nfs/dbraw/zinc/01/89/32/1308018932.db2.gz BSFAVYXGQGEZRF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045965053 1308018937 /nfs/dbraw/zinc/01/89/37/1308018937.db2.gz BSFAVYXGQGEZRF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967386 1308024688 /nfs/dbraw/zinc/02/46/88/1308024688.db2.gz TZOBMBLQIHPJBD-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001045967386 1308024692 /nfs/dbraw/zinc/02/46/92/1308024692.db2.gz TZOBMBLQIHPJBD-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001045973517 1308044288 /nfs/dbraw/zinc/04/42/88/1308044288.db2.gz SFDGAKOTEDQABL-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001045973517 1308044294 /nfs/dbraw/zinc/04/42/94/1308044294.db2.gz SFDGAKOTEDQABL-QUCCMNQESA-N 1 3 335.536 2.975 20 0 EFADHO O=C(NC1CC1)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001413114714 1308061191 /nfs/dbraw/zinc/06/11/91/1308061191.db2.gz RBMDTDGYBKWYDH-UHFFFAOYSA-N 1 3 327.472 2.543 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(Cl)cc1 ZINC001019241659 1314234913 /nfs/dbraw/zinc/23/49/13/1314234913.db2.gz RTLCDALPPYMVMQ-RRQGHBQHSA-N 1 3 335.879 2.686 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001019241637 1314235144 /nfs/dbraw/zinc/23/51/44/1314235144.db2.gz QAWHTABIHBOCCX-ZIFCJYIRSA-N 1 3 329.488 2.649 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(CCc3cccs3)C2)CC1 ZINC001008761755 1308272089 /nfs/dbraw/zinc/27/20/89/1308272089.db2.gz RWKOJENVMUXFBT-QGZVFWFLSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H](F)CCN1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008880695 1308310753 /nfs/dbraw/zinc/31/07/53/1308310753.db2.gz JMTJWNJSDXNOIG-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009170693 1308417772 /nfs/dbraw/zinc/41/77/72/1308417772.db2.gz SERXRSWHMFRTBZ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009170693 1308417775 /nfs/dbraw/zinc/41/77/75/1308417775.db2.gz SERXRSWHMFRTBZ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009200937 1308427446 /nfs/dbraw/zinc/42/74/46/1308427446.db2.gz IRWFITBPLKCWPZ-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009200937 1308427447 /nfs/dbraw/zinc/42/74/47/1308427447.db2.gz IRWFITBPLKCWPZ-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009200944 1308427698 /nfs/dbraw/zinc/42/76/98/1308427698.db2.gz IRWFITBPLKCWPZ-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009200944 1308427700 /nfs/dbraw/zinc/42/77/00/1308427700.db2.gz IRWFITBPLKCWPZ-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001009201518 1308428275 /nfs/dbraw/zinc/42/82/75/1308428275.db2.gz KVONQUCNXJKNGH-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001009201518 1308428276 /nfs/dbraw/zinc/42/82/76/1308428276.db2.gz KVONQUCNXJKNGH-VQTJNVASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001009201514 1308428421 /nfs/dbraw/zinc/42/84/21/1308428421.db2.gz KVONQUCNXJKNGH-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001009201514 1308428423 /nfs/dbraw/zinc/42/84/23/1308428423.db2.gz KVONQUCNXJKNGH-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3ccccc3F)C2)C1 ZINC001019274764 1314250128 /nfs/dbraw/zinc/25/01/28/1314250128.db2.gz OESAVAIIVKKQLW-ROUUACIJSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@H](NCc3ccccc3F)C2)C1 ZINC001019274764 1314250131 /nfs/dbraw/zinc/25/01/31/1314250131.db2.gz OESAVAIIVKKQLW-ROUUACIJSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCc2ccccc2)C1 ZINC001046315266 1308530407 /nfs/dbraw/zinc/53/04/07/1308530407.db2.gz IWHMZMUJXOGLAT-TZIWHRDSSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCc2ccccc2)C1 ZINC001046315266 1308530409 /nfs/dbraw/zinc/53/04/09/1308530409.db2.gz IWHMZMUJXOGLAT-TZIWHRDSSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCc2cccs2)C1 ZINC001046315547 1308530837 /nfs/dbraw/zinc/53/08/37/1308530837.db2.gz KCCDVTACQRXDPV-IEBWSBKVSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCc2cccs2)C1 ZINC001046315547 1308530840 /nfs/dbraw/zinc/53/08/40/1308530840.db2.gz KCCDVTACQRXDPV-IEBWSBKVSA-N 1 3 349.544 2.744 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516146 1308555959 /nfs/dbraw/zinc/55/59/59/1308555959.db2.gz MVXVTFHVOSJOJM-OALUTQOASA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516146 1308555961 /nfs/dbraw/zinc/55/59/61/1308555961.db2.gz MVXVTFHVOSJOJM-OALUTQOASA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001019289183 1314255882 /nfs/dbraw/zinc/25/58/82/1314255882.db2.gz YIZDOBSBLBMUBD-QAETUUGQSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001019289183 1314255884 /nfs/dbraw/zinc/25/58/84/1314255884.db2.gz YIZDOBSBLBMUBD-QAETUUGQSA-N 1 3 347.478 2.808 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615014 1308586516 /nfs/dbraw/zinc/58/65/16/1308586516.db2.gz ZMWDJMXSXGLZOM-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615014 1308586518 /nfs/dbraw/zinc/58/65/18/1308586518.db2.gz ZMWDJMXSXGLZOM-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624902 1308589247 /nfs/dbraw/zinc/58/92/47/1308589247.db2.gz BMFTZXXMXLDDSR-SJLPKXTDSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624902 1308589249 /nfs/dbraw/zinc/58/92/49/1308589249.db2.gz BMFTZXXMXLDDSR-SJLPKXTDSA-N 1 3 331.504 2.989 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cccn3C(F)F)CC2)CC1 ZINC001413214053 1308673344 /nfs/dbraw/zinc/67/33/44/1308673344.db2.gz FTZSQZAUYZDRQA-UHFFFAOYSA-N 1 3 340.462 2.875 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001209952366 1314263477 /nfs/dbraw/zinc/26/34/77/1314263477.db2.gz QAOPKYJSFVDFBR-LSDHHAIUSA-N 1 3 349.441 2.782 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001210033020 1314273873 /nfs/dbraw/zinc/27/38/73/1314273873.db2.gz FPBSFOMMNZZQOB-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001210033020 1314273877 /nfs/dbraw/zinc/27/38/77/1314273877.db2.gz FPBSFOMMNZZQOB-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210040769 1314274557 /nfs/dbraw/zinc/27/45/57/1314274557.db2.gz MLTWFTUQQQJVCC-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C ZINC001210040769 1314274558 /nfs/dbraw/zinc/27/45/58/1314274558.db2.gz MLTWFTUQQQJVCC-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1)N(C)C ZINC001019337742 1314281009 /nfs/dbraw/zinc/28/10/09/1314281009.db2.gz YJGDYXMKACTQKL-HRCADAONSA-N 1 3 345.478 2.589 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001210181935 1314292490 /nfs/dbraw/zinc/29/24/90/1314292490.db2.gz GACSOLJLJLOFCL-GOSISDBHSA-N 1 3 341.540 2.504 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210216862 1314296711 /nfs/dbraw/zinc/29/67/11/1314296711.db2.gz AOACCAYGXSMWDE-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210217140 1314296722 /nfs/dbraw/zinc/29/67/22/1314296722.db2.gz DIQYUZRBZQNXSZ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001210218986 1314296822 /nfs/dbraw/zinc/29/68/22/1314296822.db2.gz RQGRRZZPQBLPOY-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001210217498 1314297078 /nfs/dbraw/zinc/29/70/78/1314297078.db2.gz JJGLZRFFMUTVIF-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001210217448 1314297163 /nfs/dbraw/zinc/29/71/63/1314297163.db2.gz IICRPMYTOPNXQX-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210218161 1314297281 /nfs/dbraw/zinc/29/72/81/1314297281.db2.gz PDCRCBOAJJXJAZ-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210218186 1314297376 /nfs/dbraw/zinc/29/73/76/1314297376.db2.gz PKQLXANSLRXLAL-QZTJIDSGSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001210221305 1314297894 /nfs/dbraw/zinc/29/78/94/1314297894.db2.gz ZLJUQOQNSRIRBH-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001210230136 1314299033 /nfs/dbraw/zinc/29/90/33/1314299033.db2.gz TYZJSADBQIOGOA-MJGOQNOKSA-N 1 3 329.488 2.596 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210230210 1314299245 /nfs/dbraw/zinc/29/92/45/1314299245.db2.gz VLNQUUVJTPBIEG-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001019380692 1314302404 /nfs/dbraw/zinc/30/24/04/1314302404.db2.gz JMDSPZMQSJSESD-MOPGFXCFSA-N 1 3 343.515 2.787 20 0 EFADHO CC(C)=CCN1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760973 1309289395 /nfs/dbraw/zinc/28/93/95/1309289395.db2.gz OPWQWWRKTMYWSU-HXUWFJFHSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019380935 1314302842 /nfs/dbraw/zinc/30/28/42/1314302842.db2.gz SANGUWUDOOXPJV-HOCLYGCPSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019380935 1314302844 /nfs/dbraw/zinc/30/28/44/1314302844.db2.gz SANGUWUDOOXPJV-HOCLYGCPSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001019381129 1314303294 /nfs/dbraw/zinc/30/32/94/1314303294.db2.gz YSTKXOPWCIUPQM-STQMWFEESA-N 1 3 341.908 2.576 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001019381129 1314303296 /nfs/dbraw/zinc/30/32/96/1314303296.db2.gz YSTKXOPWCIUPQM-STQMWFEESA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019383100 1314304717 /nfs/dbraw/zinc/30/47/17/1314304717.db2.gz WDWQJXHLRNIPPV-ZBFHGGJFSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001019383100 1314304721 /nfs/dbraw/zinc/30/47/21/1314304721.db2.gz WDWQJXHLRNIPPV-ZBFHGGJFSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001019386365 1314306562 /nfs/dbraw/zinc/30/65/62/1314306562.db2.gz MBKUZAUGOAKMBJ-FXAWDEMLSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c(C)c1 ZINC001019386129 1314306595 /nfs/dbraw/zinc/30/65/95/1314306595.db2.gz DHEVMFSMBDLKPR-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001019396986 1314312720 /nfs/dbraw/zinc/31/27/20/1314312720.db2.gz DEBISEVIBDLUAL-HKUYNNGSSA-N 1 3 346.519 2.544 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)N(C)C ZINC001019397110 1314312759 /nfs/dbraw/zinc/31/27/59/1314312759.db2.gz JOBQAQOYUXAMIV-OALUTQOASA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)C1 ZINC001052701234 1314310377 /nfs/dbraw/zinc/31/03/77/1314310377.db2.gz BHBFHQALNZUGAY-CRAIPNDOSA-N 1 3 345.478 2.529 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC001052701234 1314310381 /nfs/dbraw/zinc/31/03/81/1314310381.db2.gz BHBFHQALNZUGAY-CRAIPNDOSA-N 1 3 345.478 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1)N(C)C ZINC001019394874 1314310789 /nfs/dbraw/zinc/31/07/89/1314310789.db2.gz PEOUWTWXXXCCKH-BJLQDIEVSA-N 1 3 343.515 2.637 20 0 EFADHO CN1CCN(c2cccc(-c3cccc(N4CC[NH2+]CC4)c3)c2)CC1 ZINC001243669910 1314311308 /nfs/dbraw/zinc/31/13/08/1314311308.db2.gz WBZBOBBFKQGGBZ-UHFFFAOYSA-N 1 3 336.483 2.515 20 0 EFADHO CN1CCN(c2cccc(-c3ccc(O[C@@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001243670383 1314311801 /nfs/dbraw/zinc/31/18/01/1314311801.db2.gz CVDVVPLDQSJTQT-OAQYLSRUSA-N 1 3 337.467 2.846 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705774 1314313283 /nfs/dbraw/zinc/31/32/83/1314313283.db2.gz JSRCSHGIVZLAFI-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705774 1314313287 /nfs/dbraw/zinc/31/32/87/1314313287.db2.gz JSRCSHGIVZLAFI-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705999 1314314226 /nfs/dbraw/zinc/31/42/26/1314314226.db2.gz NJURFSOKTQQRPM-CRAIPNDOSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705999 1314314228 /nfs/dbraw/zinc/31/42/28/1314314228.db2.gz NJURFSOKTQQRPM-CRAIPNDOSA-N 1 3 327.488 2.578 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CCC3CC3)C2)c1 ZINC001046851207 1309522156 /nfs/dbraw/zinc/52/21/56/1309522156.db2.gz DCYPGMMTEKZKIA-FQEVSTJZSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)c1 ZINC001046851207 1309522160 /nfs/dbraw/zinc/52/21/60/1309522160.db2.gz DCYPGMMTEKZKIA-FQEVSTJZSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001052713073 1314319518 /nfs/dbraw/zinc/31/95/18/1314319518.db2.gz QJAMOJPNPCFMPT-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001052713073 1314319521 /nfs/dbraw/zinc/31/95/21/1314319521.db2.gz QJAMOJPNPCFMPT-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001052713467 1314319665 /nfs/dbraw/zinc/31/96/65/1314319665.db2.gz XYSSIFLTWSYZIE-QAPCUYQASA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001052713467 1314319669 /nfs/dbraw/zinc/31/96/69/1314319669.db2.gz XYSSIFLTWSYZIE-QAPCUYQASA-N 1 3 349.544 2.869 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853266 1309527296 /nfs/dbraw/zinc/52/72/96/1309527296.db2.gz VBPSWLGTUVNIHG-OXQOHEQNSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853266 1309527298 /nfs/dbraw/zinc/52/72/98/1309527298.db2.gz VBPSWLGTUVNIHG-OXQOHEQNSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853424 1309527303 /nfs/dbraw/zinc/52/73/03/1309527303.db2.gz YOYIJCLGYNSXPJ-HXUWFJFHSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853424 1309527307 /nfs/dbraw/zinc/52/73/07/1309527307.db2.gz YOYIJCLGYNSXPJ-HXUWFJFHSA-N 1 3 329.488 2.909 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052713216 1314320454 /nfs/dbraw/zinc/32/04/54/1314320454.db2.gz TTZUMSGLCHNHRO-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052713216 1314320455 /nfs/dbraw/zinc/32/04/55/1314320455.db2.gz TTZUMSGLCHNHRO-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046934506 1309711523 /nfs/dbraw/zinc/71/15/23/1309711523.db2.gz CJALLMLYNCQXGY-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001046934506 1309711533 /nfs/dbraw/zinc/71/15/33/1309711533.db2.gz CJALLMLYNCQXGY-HOTGVXAUSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C(C)C)CCC1(F)F ZINC001046978943 1309828589 /nfs/dbraw/zinc/82/85/89/1309828589.db2.gz ZPWXXENEUNIZBZ-JKSUJKDBSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C(C)C)CCC1(F)F ZINC001046978943 1309828595 /nfs/dbraw/zinc/82/85/95/1309828595.db2.gz ZPWXXENEUNIZBZ-JKSUJKDBSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046986662 1309853353 /nfs/dbraw/zinc/85/33/53/1309853353.db2.gz DYSXTTLSALAFIQ-MRXNPFEDSA-N 1 3 345.478 2.589 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046993336 1309873288 /nfs/dbraw/zinc/87/32/88/1309873288.db2.gz CYSCQQXXSXEJOR-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCCN2CC)C1 ZINC001046993336 1309873295 /nfs/dbraw/zinc/87/32/95/1309873295.db2.gz CYSCQQXXSXEJOR-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001019468302 1314354605 /nfs/dbraw/zinc/35/46/05/1314354605.db2.gz OWXQDQICSMEKBU-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCN(C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001052764984 1314358410 /nfs/dbraw/zinc/35/84/10/1314358410.db2.gz UTISCFJYBPKUIV-XKJZPFPASA-N 1 3 341.927 2.974 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2)N1CCCC1 ZINC001047123896 1310154930 /nfs/dbraw/zinc/15/49/30/1310154930.db2.gz XFIBBAZBVNJJDV-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2)N1CCCC1 ZINC001047123896 1310154933 /nfs/dbraw/zinc/15/49/33/1310154933.db2.gz XFIBBAZBVNJJDV-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO [NH3+]CCOc1cccc(-c2cccc3cc([C@H]4CNCCO4)cn32)c1 ZINC001244324584 1314371295 /nfs/dbraw/zinc/37/12/95/1314371295.db2.gz AHTASNXIHMMGMU-HXUWFJFHSA-N 1 3 337.423 2.605 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(C)(C)C1)C2 ZINC001047189687 1310276739 /nfs/dbraw/zinc/27/67/39/1310276739.db2.gz CMHPEVICNJASSS-XIRDDKMYSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC(C)(C)C1)C2 ZINC001047189687 1310276750 /nfs/dbraw/zinc/27/67/50/1310276750.db2.gz CMHPEVICNJASSS-XIRDDKMYSA-N 1 3 344.503 2.666 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047242015 1310393846 /nfs/dbraw/zinc/39/38/46/1310393846.db2.gz AIGQKEQCMIWEIW-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(CF)cc3)C2)CC1 ZINC001019558925 1314383745 /nfs/dbraw/zinc/38/37/45/1314383745.db2.gz UKMSVPGBYXFOJB-IBGZPJMESA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047254060 1310424785 /nfs/dbraw/zinc/42/47/85/1310424785.db2.gz MHNOPUSJZKSECJ-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c(C)c1 ZINC001019560788 1314384468 /nfs/dbraw/zinc/38/44/68/1314384468.db2.gz YMDDAPVVIOAWFR-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257789 1310434594 /nfs/dbraw/zinc/43/45/94/1310434594.db2.gz UIHBWGJDFDOPPP-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258474 1310436416 /nfs/dbraw/zinc/43/64/16/1310436416.db2.gz BUOKUKICHJKTTA-SFHVURJKSA-N 1 3 344.503 2.869 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001047259976 1310439584 /nfs/dbraw/zinc/43/95/84/1310439584.db2.gz WATQMWGIJJVUTR-GOSISDBHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001047260408 1310441414 /nfs/dbraw/zinc/44/14/14/1310441414.db2.gz ZTCSXCUYNNTQIJ-GOSISDBHSA-N 1 3 344.503 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210783867 1314387804 /nfs/dbraw/zinc/38/78/04/1314387804.db2.gz WFQFFKYJIDRFAB-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210788329 1314388360 /nfs/dbraw/zinc/38/83/60/1314388360.db2.gz BBMYEDVHNOETNX-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001210789876 1314389089 /nfs/dbraw/zinc/38/90/89/1314389089.db2.gz SKNFFFVSJMWXNH-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001210810947 1314392021 /nfs/dbraw/zinc/39/20/21/1314392021.db2.gz HNPHKSOZZSGDFW-FUHWJXTLSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001210811340 1314392151 /nfs/dbraw/zinc/39/21/51/1314392151.db2.gz MBBBIYNWMHLQLI-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001210811176 1314392168 /nfs/dbraw/zinc/39/21/68/1314392168.db2.gz KQKFOBWQTHFUOX-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001210811164 1314392223 /nfs/dbraw/zinc/39/22/23/1314392223.db2.gz KMWBDPIWSVLOSV-HNAYVOBHSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001210810820 1314392427 /nfs/dbraw/zinc/39/24/27/1314392427.db2.gz DVPJQDUBGARMKY-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCc2ccc(CC)cc2)C1 ZINC001210811379 1314392755 /nfs/dbraw/zinc/39/27/55/1314392755.db2.gz NAGXWVUVKPBQAD-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2C)C1 ZINC001210812397 1314392952 /nfs/dbraw/zinc/39/29/52/1314392952.db2.gz ZHIGVSYAMVFXPS-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001210811387 1314393011 /nfs/dbraw/zinc/39/30/11/1314393011.db2.gz NDQAFJVNGQEGEK-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(CC)cc2)C1 ZINC001210811378 1314393045 /nfs/dbraw/zinc/39/30/45/1314393045.db2.gz NAGXWVUVKPBQAD-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711062 1311017653 /nfs/dbraw/zinc/01/76/53/1311017653.db2.gz WXFUARLDALTPOE-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711062 1311017656 /nfs/dbraw/zinc/01/76/56/1311017656.db2.gz WXFUARLDALTPOE-VAMGGRTRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714309 1311018599 /nfs/dbraw/zinc/01/85/99/1311018599.db2.gz YHOCYRBOUCRQNC-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CC[NH2+]C(C)(C)C ZINC000901778626 1311030746 /nfs/dbraw/zinc/03/07/46/1311030746.db2.gz QVRCMRXOQWBETK-SJLPKXTDSA-N 1 3 329.488 2.908 20 0 EFADHO CCCc1ccc(CN2CC[C@@H]3CN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1 ZINC001221791490 1311032451 /nfs/dbraw/zinc/03/24/51/1311032451.db2.gz OFTQHHYRFHTMMA-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001221793197 1311032802 /nfs/dbraw/zinc/03/28/02/1311032802.db2.gz USEIKEQCUNGLHS-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001221793197 1311032806 /nfs/dbraw/zinc/03/28/06/1311032806.db2.gz USEIKEQCUNGLHS-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848650 1311042698 /nfs/dbraw/zinc/04/26/98/1311042698.db2.gz ZFHLNJRSDDPHKK-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001221848650 1311042699 /nfs/dbraw/zinc/04/26/99/1311042699.db2.gz ZFHLNJRSDDPHKK-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222049479 1311073575 /nfs/dbraw/zinc/07/35/75/1311073575.db2.gz CLNNNRKFNRMLJH-HPFJUIBNSA-N 1 3 347.547 2.996 20 0 EFADHO Cc1c(CN2CCNC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001222094998 1311083819 /nfs/dbraw/zinc/08/38/19/1311083819.db2.gz LKKABDWYDFCCFV-UHFFFAOYSA-N 1 3 327.394 2.541 20 0 EFADHO Cc1ccc(-c2cncc(CN3CCNC4(CC[NH2+]CC4)C3)c2)cc1 ZINC001222105194 1311085680 /nfs/dbraw/zinc/08/56/80/1311085680.db2.gz VMRNWOQWJPQXBX-UHFFFAOYSA-N 1 3 336.483 2.584 20 0 EFADHO CCOC(=O)[C@@]12CN(CC[C@@H](C)c3ccc(C)o3)C[C@@H]1C[NH2+]CCC2 ZINC001222125852 1311088384 /nfs/dbraw/zinc/08/83/84/1311088384.db2.gz YCFYXXCAHLANBD-SYNHAJSKSA-N 1 3 348.487 2.946 20 0 EFADHO CCOC(=O)[C@H]1CC2(CN1C[C@@H](C)c1ccccc1)CC[NH2+]CC2 ZINC001222215641 1311099789 /nfs/dbraw/zinc/09/97/89/1311099789.db2.gz IWUCKESQRKMBFK-SJLPKXTDSA-N 1 3 330.472 2.797 20 0 EFADHO CCOC(=O)c1c(C)[nH]c(CN2CCC3(CCC[NH2+]C3)CC2)c1C ZINC001222453100 1311134946 /nfs/dbraw/zinc/13/49/46/1311134946.db2.gz PYICCZFCVBXJMP-UHFFFAOYSA-N 1 3 333.476 2.774 20 0 EFADHO CC(C)c1ccc(C[C@H](C)CN2CC(=O)NC3(CC[NH2+]CC3)C2)cc1 ZINC001222515179 1311145350 /nfs/dbraw/zinc/14/53/50/1311145350.db2.gz MHVZYHYEBZDRMI-KRWDZBQOSA-N 1 3 343.515 2.543 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1CN1CCC(F)(C[NH3+])CC1 ZINC001222537792 1311148408 /nfs/dbraw/zinc/14/84/08/1311148408.db2.gz FZJLCVDQCCRAOJ-UHFFFAOYSA-N 1 3 330.451 2.811 20 0 EFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cccc(O)c3F)CC2)C1 ZINC001276846437 1311192487 /nfs/dbraw/zinc/19/24/87/1311192487.db2.gz UHCICDASCPQPDN-UHFFFAOYSA-N 1 3 349.494 2.771 20 0 EFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cccc(O)c3F)CC2)C1 ZINC001276846437 1311192488 /nfs/dbraw/zinc/19/24/88/1311192488.db2.gz UHCICDASCPQPDN-UHFFFAOYSA-N 1 3 349.494 2.771 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223202222 1311229732 /nfs/dbraw/zinc/22/97/32/1311229732.db2.gz BJGKJPXXLSKFPZ-MRXNPFEDSA-N 1 3 341.515 2.827 20 0 EFADHO N#Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381183206 1311231322 /nfs/dbraw/zinc/23/13/22/1311231322.db2.gz KXUGBZBWPLDGNR-FPOVZHCZSA-N 1 3 335.451 2.703 20 0 EFADHO N#Cc1ccc([C@@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381183206 1311231325 /nfs/dbraw/zinc/23/13/25/1311231325.db2.gz KXUGBZBWPLDGNR-FPOVZHCZSA-N 1 3 335.451 2.703 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364403 1311236816 /nfs/dbraw/zinc/23/68/16/1311236816.db2.gz RXLSGGBJXRTWFI-GGPKGHCWSA-N 1 3 335.536 2.689 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364403 1311236819 /nfs/dbraw/zinc/23/68/19/1311236819.db2.gz RXLSGGBJXRTWFI-GGPKGHCWSA-N 1 3 335.536 2.689 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364299 1311236918 /nfs/dbraw/zinc/23/69/18/1311236918.db2.gz QWCAYRKVRYOFPD-NSHGMRRFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364299 1311236920 /nfs/dbraw/zinc/23/69/20/1311236920.db2.gz QWCAYRKVRYOFPD-NSHGMRRFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866737 1311239339 /nfs/dbraw/zinc/23/93/39/1311239339.db2.gz DMUZJILUDVPAAL-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047870940 1311243254 /nfs/dbraw/zinc/24/32/54/1311243254.db2.gz WRMUPDUXTXAXDY-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871751 1311244445 /nfs/dbraw/zinc/24/44/45/1311244445.db2.gz ZFYYKLVYTJBKDH-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871893 1311244589 /nfs/dbraw/zinc/24/45/89/1311244589.db2.gz ZXKUBYULUIXTJM-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC1 ZINC001223388101 1311253568 /nfs/dbraw/zinc/25/35/68/1311253568.db2.gz XOXONEIINRXUFQ-SJORKVTESA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223472686 1311265199 /nfs/dbraw/zinc/26/51/99/1311265199.db2.gz SGEGITSLVAQVRT-UZLBHIALSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223472965 1311265203 /nfs/dbraw/zinc/26/52/03/1311265203.db2.gz YVLGNSXUAXMRTF-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)C1CC1 ZINC001223472308 1311265251 /nfs/dbraw/zinc/26/52/51/1311265251.db2.gz NKXNYCLVPHEIQU-LJQANCHMSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCCC2CCC2)CC1)N(C)C ZINC001223533678 1311273019 /nfs/dbraw/zinc/27/30/19/1311273019.db2.gz OAMPHBUSEDKVLT-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001223534160 1311273129 /nfs/dbraw/zinc/27/31/29/1311273129.db2.gz VVQUQUQYMSJZRB-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C)N(C)C ZINC001102071314 1311277257 /nfs/dbraw/zinc/27/72/57/1311277257.db2.gz JVAJWAPDWBSDCE-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C)N(C)C ZINC001102071314 1311277261 /nfs/dbraw/zinc/27/72/61/1311277261.db2.gz JVAJWAPDWBSDCE-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001102071529 1311277325 /nfs/dbraw/zinc/27/73/25/1311277325.db2.gz NSAFQXXERKERHZ-QRQLOZEOSA-N 1 3 349.563 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001102071529 1311277328 /nfs/dbraw/zinc/27/73/28/1311277328.db2.gz NSAFQXXERKERHZ-QRQLOZEOSA-N 1 3 349.563 2.837 20 0 EFADHO CCc1cccc(C[NH+]2CCC(CNC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001223597908 1311280250 /nfs/dbraw/zinc/28/02/50/1311280250.db2.gz QWBAUBUXLAUGFU-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2csc(C)c2)CC1)N(C)C ZINC001223596985 1311280412 /nfs/dbraw/zinc/28/04/12/1311280412.db2.gz GEKBXLPZOXLWOR-QGZVFWFLSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C/C=C\c2ccccc2)CC1)N(C)C ZINC001223604109 1311281101 /nfs/dbraw/zinc/28/11/01/1311281101.db2.gz BWTWWOXRGZQCFW-NHHWLVAYSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001223654341 1311287747 /nfs/dbraw/zinc/28/77/47/1311287747.db2.gz LSLFZWFVCOCXNV-QRVBRYPASA-N 1 3 349.563 2.981 20 0 EFADHO CCc1ccccc1C[N@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377981 1311306167 /nfs/dbraw/zinc/30/61/67/1311306167.db2.gz KNRNYROICFSGHA-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)[C@H](C)C1 ZINC001102377981 1311306168 /nfs/dbraw/zinc/30/61/68/1311306168.db2.gz KNRNYROICFSGHA-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430123 1311309676 /nfs/dbraw/zinc/30/96/76/1311309676.db2.gz FSFNOBXMIVQWIV-BEKDMHARSA-N 1 3 341.927 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3csc(C)c3)[C@H]2C1 ZINC001223846550 1311310865 /nfs/dbraw/zinc/31/08/65/1311310865.db2.gz OIJZQFHADFGYJX-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3csc(C)c3)[C@H]2C1 ZINC001223846550 1311310866 /nfs/dbraw/zinc/31/08/66/1311310866.db2.gz OIJZQFHADFGYJX-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C ZINC001102525144 1311315646 /nfs/dbraw/zinc/31/56/46/1311315646.db2.gz NAHHLJZAFBUTGW-JWHDQAAXSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC(C)CC2)C[C@H]1C ZINC001102525144 1311315651 /nfs/dbraw/zinc/31/56/51/1311315651.db2.gz NAHHLJZAFBUTGW-JWHDQAAXSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cc2C)C[C@H]1C ZINC001102525276 1311316408 /nfs/dbraw/zinc/31/64/08/1311316408.db2.gz URNFKBNHOKODKF-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cc2C)C[C@H]1C ZINC001102525276 1311316411 /nfs/dbraw/zinc/31/64/11/1311316411.db2.gz URNFKBNHOKODKF-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223971178 1311326962 /nfs/dbraw/zinc/32/69/62/1311326962.db2.gz DVAPASFHGAZXRT-MSOLQXFVSA-N 1 3 349.544 2.903 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223971178 1311326964 /nfs/dbraw/zinc/32/69/64/1311326964.db2.gz DVAPASFHGAZXRT-MSOLQXFVSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CC2CCCC2)CC1)N1CCCC1 ZINC001224024926 1311333156 /nfs/dbraw/zinc/33/31/56/1311333156.db2.gz QOXGTWITTGZMDN-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047971444 1311339810 /nfs/dbraw/zinc/33/98/10/1311339810.db2.gz DIORVTMZIHAONX-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113284 1311345074 /nfs/dbraw/zinc/34/50/74/1311345074.db2.gz DMGGUGZDLRBIKD-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113746 1311345002 /nfs/dbraw/zinc/34/50/02/1311345002.db2.gz VWSYWRVMBGCZFE-KURKYZTESA-N 1 3 325.541 2.693 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113746 1311345004 /nfs/dbraw/zinc/34/50/04/1311345004.db2.gz VWSYWRVMBGCZFE-KURKYZTESA-N 1 3 325.541 2.693 20 0 EFADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001103113284 1311345072 /nfs/dbraw/zinc/34/50/72/1311345072.db2.gz DMGGUGZDLRBIKD-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986187 1311351875 /nfs/dbraw/zinc/35/18/75/1311351875.db2.gz CIKOQHHHMGLHLB-HIFRSBDPSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001047986509 1311352487 /nfs/dbraw/zinc/35/24/87/1311352487.db2.gz DIABZNWWDHMXOM-UKRRQHHQSA-N 1 3 346.500 2.657 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001047988796 1311354105 /nfs/dbraw/zinc/35/41/05/1311354105.db2.gz ODIUTGJQQBIVEA-AEFFLSMTSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005717 1311364992 /nfs/dbraw/zinc/36/49/92/1311364992.db2.gz DNZREYLQYLRVPW-QUCCMNQESA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCC(C)(C)C)CC1)N(C)C ZINC001224402375 1311385465 /nfs/dbraw/zinc/38/54/65/1311385465.db2.gz HDYJEKYLKFKQCP-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC1CCN(Cc2ccccn2)CC1)[NH+](CC)CC ZINC001224476429 1311396167 /nfs/dbraw/zinc/39/61/67/1311396167.db2.gz DTKXHGPCNVUPRL-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC001224537611 1311404930 /nfs/dbraw/zinc/40/49/30/1311404930.db2.gz SLDDLUSXSHDDQV-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC001224538270 1311405108 /nfs/dbraw/zinc/40/51/08/1311405108.db2.gz XRNVMAQUDIWGGC-HNNXBMFYSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560085 1311407191 /nfs/dbraw/zinc/40/71/91/1311407191.db2.gz SIMUGCBWSUCUKF-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001224560071 1311407332 /nfs/dbraw/zinc/40/73/32/1311407332.db2.gz SGWZWJPTBKTUFC-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224561023 1311407462 /nfs/dbraw/zinc/40/74/62/1311407462.db2.gz ZOZLPCQMZZBGFC-KRWDZBQOSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@H](F)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224576544 1311410219 /nfs/dbraw/zinc/41/02/19/1311410219.db2.gz ONGQIYHODLPTLR-INIZCTEOSA-N 1 3 329.504 2.541 20 0 EFADHO CCc1cccc(C[NH+]2CCC(CNC(=O)[C@H](CC)N(C)C)CC2)c1 ZINC001224583349 1311410979 /nfs/dbraw/zinc/41/09/79/1311410979.db2.gz QWBAUBUXLAUGFU-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058712 1311417964 /nfs/dbraw/zinc/41/79/64/1311417964.db2.gz IPOPAXDRUALDHZ-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048059334 1311418576 /nfs/dbraw/zinc/41/85/76/1311418576.db2.gz RKSHMUAGQYIJET-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048062102 1311420219 /nfs/dbraw/zinc/42/02/19/1311420219.db2.gz BUJKHDZOWAVFJS-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063722 1311423018 /nfs/dbraw/zinc/42/30/18/1311423018.db2.gz FRABVZBVDSZRBT-VQIMIIECSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068475 1311427511 /nfs/dbraw/zinc/42/75/11/1311427511.db2.gz GJGINYPBQYEODS-DOTOQJQBSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H](C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1)N1CCCCCC1 ZINC001224738746 1311428926 /nfs/dbraw/zinc/42/89/26/1311428926.db2.gz CYQZEOBIFLYXAE-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CCC2)CC1)N1CCCCCC1 ZINC001224739768 1311429595 /nfs/dbraw/zinc/42/95/95/1311429595.db2.gz PXNRUPOCSNHLBD-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740023 1311429761 /nfs/dbraw/zinc/42/97/61/1311429761.db2.gz VWFBFIGALPWCGG-FUHWJXTLSA-N 1 3 341.515 2.827 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001224911169 1311450053 /nfs/dbraw/zinc/45/00/53/1311450053.db2.gz KLVRIBBDEKCWII-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001159155872 1311462947 /nfs/dbraw/zinc/46/29/47/1311462947.db2.gz VSVWXYVHTQZPNM-MRXNPFEDSA-N 1 3 343.874 2.616 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001225206318 1311489595 /nfs/dbraw/zinc/48/95/95/1311489595.db2.gz BSCXSHTVCFNGAK-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CCCc2ccccc2)CC1 ZINC001225252122 1311495356 /nfs/dbraw/zinc/49/53/56/1311495356.db2.gz MNCYRERYMVHFNP-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001225252081 1311495422 /nfs/dbraw/zinc/49/54/22/1311495422.db2.gz LEXFUKQNEBFJGW-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC001225253092 1311495494 /nfs/dbraw/zinc/49/54/94/1311495494.db2.gz ZXGQMVZJMKZVAG-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CCCCC2)CC1 ZINC001225286755 1311501008 /nfs/dbraw/zinc/50/10/08/1311501008.db2.gz ZTHBHYCJNRUNBN-UHFFFAOYSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001225284665 1311501359 /nfs/dbraw/zinc/50/13/59/1311501359.db2.gz HKQYUSUQHMDQFJ-UHFFFAOYSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001014412063 1311503017 /nfs/dbraw/zinc/50/30/17/1311503017.db2.gz FKPCLJGHWZAEMD-VQTJNVASSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001014412063 1311503021 /nfs/dbraw/zinc/50/30/21/1311503021.db2.gz FKPCLJGHWZAEMD-VQTJNVASSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001014423519 1311509096 /nfs/dbraw/zinc/50/90/96/1311509096.db2.gz JUFBONVZANZTRH-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCC1 ZINC001014423519 1311509097 /nfs/dbraw/zinc/50/90/97/1311509097.db2.gz JUFBONVZANZTRH-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225563698 1311544082 /nfs/dbraw/zinc/54/40/82/1311544082.db2.gz ISZSUVCKPAJADZ-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO Cc1ccc(F)cc1C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225577850 1311546771 /nfs/dbraw/zinc/54/67/71/1311546771.db2.gz LQTWOAVIWHPKBL-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628423 1311554917 /nfs/dbraw/zinc/55/49/17/1311554917.db2.gz ITWQXGOWXAAZDO-HKUYNNGSSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159628423 1311554919 /nfs/dbraw/zinc/55/49/19/1311554919.db2.gz ITWQXGOWXAAZDO-HKUYNNGSSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001159628149 1311555409 /nfs/dbraw/zinc/55/54/09/1311555409.db2.gz DCGPQXYDRFZZMR-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001159628149 1311555411 /nfs/dbraw/zinc/55/54/11/1311555411.db2.gz DCGPQXYDRFZZMR-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]CC/C=C\c2ccccc2)CCC1 ZINC001159853408 1311597341 /nfs/dbraw/zinc/59/73/41/1311597341.db2.gz DLMJMUXNBFTUBW-SDQBBNPISA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cc(Cl)ccc2F)CCC1 ZINC001159854739 1311597462 /nfs/dbraw/zinc/59/74/62/1311597462.db2.gz SCUQDROFVVKTRA-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854966 1311597610 /nfs/dbraw/zinc/59/76/10/1311597610.db2.gz XXXWMWWWHAGESR-UHFFFAOYSA-N 1 3 346.519 2.594 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]C/C=C/c2ccc(Cl)cc2)CCC1 ZINC001159854795 1311597622 /nfs/dbraw/zinc/59/76/22/1311597622.db2.gz SPMFLGALGBHREF-ZZXKWVIFSA-N 1 3 349.906 2.933 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCc3c2cccc3Cl)CCC1 ZINC001159854694 1311597639 /nfs/dbraw/zinc/59/76/39/1311597639.db2.gz QQVIQTYVHYMHJD-QGZVFWFLSA-N 1 3 349.906 2.908 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CCC1 ZINC001159854976 1311597653 /nfs/dbraw/zinc/59/76/53/1311597653.db2.gz YLDXWDYDRSFMGF-KRWDZBQOSA-N 1 3 349.906 2.908 20 0 EFADHO [NH3+]C1CCN(c2cccc(N[C@H]3CCc4ccc(O)cc4C3)n2)CC1 ZINC001159892167 1311604087 /nfs/dbraw/zinc/60/40/87/1311604087.db2.gz BWGVBDDGTHRKNW-KRWDZBQOSA-N 1 3 338.455 2.684 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC001159915640 1311607581 /nfs/dbraw/zinc/60/75/81/1311607581.db2.gz LJVXOZJMBUVUKS-MOPGFXCFSA-N 1 3 347.478 2.639 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c(C)c1 ZINC001159916796 1311608381 /nfs/dbraw/zinc/60/83/81/1311608381.db2.gz SUFLMXGXQXMMRW-LJQANCHMSA-N 1 3 331.504 2.548 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)C1CC1 ZINC001159923074 1311609187 /nfs/dbraw/zinc/60/91/87/1311609187.db2.gz CUVSAPXWBLGYJA-GOSISDBHSA-N 1 3 345.512 2.837 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC001159923004 1311609233 /nfs/dbraw/zinc/60/92/33/1311609233.db2.gz BYVZRIKZWXKLAN-QZTJIDSGSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC001159923002 1311609373 /nfs/dbraw/zinc/60/93/73/1311609373.db2.gz BYVZRIKZWXKLAN-MSOLQXFVSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC001159923843 1311609891 /nfs/dbraw/zinc/60/98/91/1311609891.db2.gz JIDOJSUVZURUSE-AJNOYIKESA-N 1 3 349.906 2.789 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC001159925104 1311610170 /nfs/dbraw/zinc/61/01/70/1311610170.db2.gz PHYXPHNZWCQDGE-MRXNPFEDSA-N 1 3 339.430 2.560 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1)C1CC1 ZINC001159932636 1311611467 /nfs/dbraw/zinc/61/14/67/1311611467.db2.gz TXURJCPRKNHYSG-HXUWFJFHSA-N 1 3 343.515 2.890 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC001159932167 1311611573 /nfs/dbraw/zinc/61/15/73/1311611573.db2.gz NVEPAPKICQNHFL-LJQANCHMSA-N 1 3 329.488 2.500 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)cc1 ZINC001159931769 1311611809 /nfs/dbraw/zinc/61/18/09/1311611809.db2.gz HTEGFLVSYHYAAO-ZWKOTPCHSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc2c(c1)CCC2 ZINC001159932449 1311611912 /nfs/dbraw/zinc/61/19/12/1311611912.db2.gz RQLOGSKIKJHYCV-FOIQADDNSA-N 1 3 343.515 2.672 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1Cl ZINC001159933089 1311611997 /nfs/dbraw/zinc/61/19/97/1311611997.db2.gz ZDZQWPZUJYATLF-SUMWQHHRSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226170916 1311624154 /nfs/dbraw/zinc/62/41/54/1311624154.db2.gz SZGMTLWAKXMMOU-IAEIJAJRSA-N 1 3 327.900 2.629 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F)C1CCC1 ZINC001159997169 1311626574 /nfs/dbraw/zinc/62/65/74/1311626574.db2.gz IOSZTDDMMFORPF-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001159997055 1311626829 /nfs/dbraw/zinc/62/68/29/1311626829.db2.gz DHSRLFUENWTGEB-UHFFFAOYSA-N 1 3 347.503 2.556 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001048276454 1311629426 /nfs/dbraw/zinc/62/94/26/1311629426.db2.gz HSLNTCHEDRNRNF-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048279199 1311632089 /nfs/dbraw/zinc/63/20/89/1311632089.db2.gz HFXPYXLLZOGZGR-WBVHZDCISA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048279195 1311632383 /nfs/dbraw/zinc/63/23/83/1311632383.db2.gz HFXPYXLLZOGZGR-DOTOQJQBSA-N 1 3 335.536 2.591 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630991 1311635018 /nfs/dbraw/zinc/63/50/18/1311635018.db2.gz NTKVHKYQWVPCLL-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C)cc2C)C1 ZINC001014630991 1311635020 /nfs/dbraw/zinc/63/50/20/1311635020.db2.gz NTKVHKYQWVPCLL-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000902347441 1311658967 /nfs/dbraw/zinc/65/89/67/1311658967.db2.gz UMJJUHFRCASUHE-RTBURBONSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001014699593 1311672582 /nfs/dbraw/zinc/67/25/82/1311672582.db2.gz DEESUCJNGCXYEC-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001014699593 1311672585 /nfs/dbraw/zinc/67/25/85/1311672585.db2.gz DEESUCJNGCXYEC-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001014718406 1311684194 /nfs/dbraw/zinc/68/41/94/1311684194.db2.gz XOUNNHUQYICCQL-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001014718406 1311684198 /nfs/dbraw/zinc/68/41/98/1311684198.db2.gz XOUNNHUQYICCQL-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001014722918 1311688864 /nfs/dbraw/zinc/68/88/64/1311688864.db2.gz NIGMECLOLVMAPK-SJORKVTESA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001014722918 1311688868 /nfs/dbraw/zinc/68/88/68/1311688868.db2.gz NIGMECLOLVMAPK-SJORKVTESA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001014728443 1311694555 /nfs/dbraw/zinc/69/45/55/1311694555.db2.gz MMRTXQPNYFQKJR-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001014728443 1311694557 /nfs/dbraw/zinc/69/45/57/1311694557.db2.gz MMRTXQPNYFQKJR-UXHICEINSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001014728445 1311694742 /nfs/dbraw/zinc/69/47/42/1311694742.db2.gz MMRTXQPNYFQKJR-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001014728445 1311694746 /nfs/dbraw/zinc/69/47/46/1311694746.db2.gz MMRTXQPNYFQKJR-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226614809 1311697056 /nfs/dbraw/zinc/69/70/56/1311697056.db2.gz SWUATUSFIIPIIZ-MSFSSZRUSA-N 1 3 327.900 2.630 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCCCCF)CC1)C1CC1 ZINC001160360259 1311697139 /nfs/dbraw/zinc/69/71/39/1311697139.db2.gz MKJDLSZZOWMNDO-GOSISDBHSA-N 1 3 339.499 2.605 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)C1CC1 ZINC001160360259 1311697142 /nfs/dbraw/zinc/69/71/42/1311697142.db2.gz MKJDLSZZOWMNDO-GOSISDBHSA-N 1 3 339.499 2.605 20 0 EFADHO CC1CC(C[N@H+]2CC=C(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001160367963 1311698325 /nfs/dbraw/zinc/69/83/25/1311698325.db2.gz WLHHKADKJADTMG-GXOAENINSA-N 1 3 333.520 2.511 20 0 EFADHO CC1CC(C[N@@H+]2CC=C(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001160367963 1311698327 /nfs/dbraw/zinc/69/83/27/1311698327.db2.gz WLHHKADKJADTMG-GXOAENINSA-N 1 3 333.520 2.511 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)N(C)C ZINC001160427124 1311707639 /nfs/dbraw/zinc/70/76/39/1311707639.db2.gz NHIXHLJUBZQHHJ-RNNBRSHQSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001160428283 1311708100 /nfs/dbraw/zinc/70/81/00/1311708100.db2.gz YQQLPVYBJDENMT-KRWDZBQOSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCN[C@@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001160434179 1311709275 /nfs/dbraw/zinc/70/92/75/1311709275.db2.gz QQRMMTYWINEZSL-GUYCJALGSA-N 1 3 341.446 2.708 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461305 1311715067 /nfs/dbraw/zinc/71/50/67/1311715067.db2.gz MTRXQDTXOIGMOA-ICSRJNTNSA-N 1 3 347.478 2.563 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461509 1311715084 /nfs/dbraw/zinc/71/50/84/1311715084.db2.gz RWBVILGVAPXKAO-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001160473214 1311718988 /nfs/dbraw/zinc/71/89/88/1311718988.db2.gz HXPAJWFAOWKOMU-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001160473214 1311718991 /nfs/dbraw/zinc/71/89/91/1311718991.db2.gz HXPAJWFAOWKOMU-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001226774102 1311721199 /nfs/dbraw/zinc/72/11/99/1311721199.db2.gz KAHQGVVOZGKGLV-GUDVDZBRSA-N 1 3 347.478 2.683 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)C1CCC1 ZINC001226830141 1311729355 /nfs/dbraw/zinc/72/93/55/1311729355.db2.gz CTAQTHGXZFSIFO-IAGOWNOFSA-N 1 3 335.517 2.749 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048386028 1311731447 /nfs/dbraw/zinc/73/14/47/1311731447.db2.gz GPDYUVXPAYURTR-IEBWSBKVSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048388844 1311733638 /nfs/dbraw/zinc/73/36/38/1311733638.db2.gz XZXMZBKBBLSAAH-WMZOPIPTSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048415401 1311753838 /nfs/dbraw/zinc/75/38/38/1311753838.db2.gz BCHGSIKLZGVHJB-QUCCMNQESA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048417980 1311755381 /nfs/dbraw/zinc/75/53/81/1311755381.db2.gz PAXZDWXKGVMUMJ-PKOBYXMFSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001160680864 1311757932 /nfs/dbraw/zinc/75/79/32/1311757932.db2.gz WKGCEGJWJNYMIH-XLIONFOSSA-N 1 3 337.467 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC001227149733 1311768466 /nfs/dbraw/zinc/76/84/66/1311768466.db2.gz DVBZIOAMJGPFOT-CHWSQXEVSA-N 1 3 337.430 2.686 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001160882954 1311802256 /nfs/dbraw/zinc/80/22/56/1311802256.db2.gz CDPQPLMPGNNCFX-QZTJIDSGSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CCCc1ccccc1Cl)N(C)C ZINC001160883450 1311803303 /nfs/dbraw/zinc/80/33/03/1311803303.db2.gz NIWLUYFLNIKLQL-QGZVFWFLSA-N 1 3 339.911 2.709 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001160889732 1311803641 /nfs/dbraw/zinc/80/36/41/1311803641.db2.gz QPHMPRUPJTVIIE-HNAYVOBHSA-N 1 3 331.504 2.672 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048481618 1311812426 /nfs/dbraw/zinc/81/24/26/1311812426.db2.gz ZYIQGYFVPWALCH-LPHOPBHVSA-N 1 3 343.515 2.846 20 0 EFADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160939550 1311815316 /nfs/dbraw/zinc/81/53/16/1311815316.db2.gz BQQKHXVCENDMSI-DLBZAZTESA-N 1 3 349.425 2.503 20 0 EFADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160939550 1311815318 /nfs/dbraw/zinc/81/53/18/1311815318.db2.gz BQQKHXVCENDMSI-DLBZAZTESA-N 1 3 349.425 2.503 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160955946 1311821175 /nfs/dbraw/zinc/82/11/75/1311821175.db2.gz CRFDORMMKOOJFV-IHPCNDPISA-N 1 3 345.531 2.990 20 0 EFADHO CN(C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161064354 1311850413 /nfs/dbraw/zinc/85/04/13/1311850413.db2.gz PMLSGMAZCPTWCT-KZNAEPCWSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cc(F)ccc1CN1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161090121 1311855968 /nfs/dbraw/zinc/85/59/68/1311855968.db2.gz PEOOUNKQRKOPBN-UHFFFAOYSA-N 1 3 347.478 2.724 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227796886 1311857437 /nfs/dbraw/zinc/85/74/37/1311857437.db2.gz DCXMVPXIBXVXNA-KUHUBIRLSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227796879 1311857583 /nfs/dbraw/zinc/85/75/83/1311857583.db2.gz CZWAMSAACCTTQH-HNAYVOBHSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1ccc([C@@H]2CCCCN2C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1C ZINC001161102967 1311858028 /nfs/dbraw/zinc/85/80/28/1311858028.db2.gz BOPAGELRTWJYFW-SVFBPWRDSA-N 1 3 341.499 2.556 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227816416 1311860217 /nfs/dbraw/zinc/86/02/17/1311860217.db2.gz DILNUDBIZRNAIZ-OXJNMPFZSA-N 1 3 343.515 2.977 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCC2CCCCC2)CC1)C1CC1 ZINC001227816237 1311860440 /nfs/dbraw/zinc/86/04/40/1311860440.db2.gz CKGAUHVNVQALOF-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1)C1CC1 ZINC001227817459 1311860575 /nfs/dbraw/zinc/86/05/75/1311860575.db2.gz LMEUMYNFAJVXAV-IBGZPJMESA-N 1 3 347.478 2.577 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CC2CCCCCC2)CC1)C1CC1 ZINC001227818162 1311860676 /nfs/dbraw/zinc/86/06/76/1311860676.db2.gz RWLCZKGKFKWRHF-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)cc1C ZINC001227818316 1311861067 /nfs/dbraw/zinc/86/10/67/1311861067.db2.gz UVRKHIGYNOTGKB-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001227824786 1311861862 /nfs/dbraw/zinc/86/18/62/1311861862.db2.gz COQWZFICNVAOQK-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001227826149 1311862051 /nfs/dbraw/zinc/86/20/51/1311862051.db2.gz WUWBYHSPUWPZMT-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)cc1C ZINC001227833117 1311863944 /nfs/dbraw/zinc/86/39/44/1311863944.db2.gz RQUDZOHYSQRWMR-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001161134039 1311867333 /nfs/dbraw/zinc/86/73/33/1311867333.db2.gz ZHHPDKKGVIXOAR-NKELODKYSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001161134039 1311867336 /nfs/dbraw/zinc/86/73/36/1311867336.db2.gz ZHHPDKKGVIXOAR-NKELODKYSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)N1CCCC1 ZINC001227900183 1311871346 /nfs/dbraw/zinc/87/13/46/1311871346.db2.gz JOYFYZAGNGULGV-FSQQNCNXSA-N 1 3 327.900 2.630 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001227900176 1311871387 /nfs/dbraw/zinc/87/13/87/1311871387.db2.gz PTCNGXSQLXXKQT-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001227899824 1311871404 /nfs/dbraw/zinc/87/14/04/1311871404.db2.gz JYRLDIDWKRFLBX-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@]1(C(=O)N(C)CCN(C)Cc2ccccc2)CCC[NH2+]C1 ZINC001161161336 1311872351 /nfs/dbraw/zinc/87/23/51/1311872351.db2.gz SOAZOKXCIHASIY-HXUWFJFHSA-N 1 3 331.504 2.603 20 0 EFADHO CC(C)[C@]1(C(=O)N(C)CCN(C)Cc2ccccc2)CCC[NH2+]C1 ZINC001161161335 1311872373 /nfs/dbraw/zinc/87/23/73/1311872373.db2.gz SOAZOKXCIHASIY-FQEVSTJZSA-N 1 3 331.504 2.603 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001227960423 1311880227 /nfs/dbraw/zinc/88/02/27/1311880227.db2.gz DGGCHBSYCYGHCZ-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001227961553 1311880810 /nfs/dbraw/zinc/88/08/10/1311880810.db2.gz VYQXUUXRKDDHSU-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H]([NH3+])C(=O)N1CCC2(CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001161420888 1311883651 /nfs/dbraw/zinc/88/36/51/1311883651.db2.gz KUUSOLBTMDXDMB-QGZVFWFLSA-N 1 3 349.478 2.658 20 0 EFADHO CCCc1cc(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)ccc1F ZINC001161449521 1311892300 /nfs/dbraw/zinc/89/23/00/1311892300.db2.gz NLUYUSVESOQPEW-QGZVFWFLSA-N 1 3 335.467 2.534 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001228053920 1311895405 /nfs/dbraw/zinc/89/54/05/1311895405.db2.gz LMWUFKFWHXTTDD-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(Cc2cc(F)ccc2C)CC1 ZINC001228053920 1311895408 /nfs/dbraw/zinc/89/54/08/1311895408.db2.gz LMWUFKFWHXTTDD-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001228065353 1311896389 /nfs/dbraw/zinc/89/63/89/1311896389.db2.gz OQYJNUOXYAFZBW-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)C1 ZINC001161487297 1311898313 /nfs/dbraw/zinc/89/83/13/1311898313.db2.gz FISOFSTVHLTUQO-GDBMZVCRSA-N 1 3 343.393 2.683 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091019 1311905279 /nfs/dbraw/zinc/90/52/79/1311905279.db2.gz SVIPCGBVGIKYGX-SFHVURJKSA-N 1 3 341.499 2.622 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001277276416 1311911642 /nfs/dbraw/zinc/91/16/42/1311911642.db2.gz ZLVQNHWELBKGRK-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001277276416 1311911645 /nfs/dbraw/zinc/91/16/45/1311911645.db2.gz ZLVQNHWELBKGRK-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)c1 ZINC001228263122 1311921912 /nfs/dbraw/zinc/92/19/12/1311921912.db2.gz ZTPQEMOEHDHRPV-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161585264 1311922584 /nfs/dbraw/zinc/92/25/84/1311922584.db2.gz YQIHJNJKKFOYTI-IBGZPJMESA-N 1 3 341.499 2.558 20 0 EFADHO O=C(N[C@H]1CCN(C/C=C/c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001015117240 1311922766 /nfs/dbraw/zinc/92/27/66/1311922766.db2.gz DXUCYHLJPZDPIN-QTWIXLPOSA-N 1 3 346.434 2.852 20 0 EFADHO CN(Cc1ccc(N2CCC([NH3+])(c3cccnc3)CC2)nc1)C1CC1 ZINC001161587869 1311923177 /nfs/dbraw/zinc/92/31/77/1311923177.db2.gz QJGMUWGIGYPINK-UHFFFAOYSA-N 1 3 337.471 2.525 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048606412 1311961221 /nfs/dbraw/zinc/96/12/21/1311961221.db2.gz KGGWMYUGZUERLT-FHWLQOOXSA-N 1 3 335.536 2.783 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001161754842 1311965669 /nfs/dbraw/zinc/96/56/69/1311965669.db2.gz DCFQEUWCPZBDEE-UHFFFAOYSA-N 1 3 329.488 2.667 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001161754842 1311965672 /nfs/dbraw/zinc/96/56/72/1311965672.db2.gz DCFQEUWCPZBDEE-UHFFFAOYSA-N 1 3 329.488 2.667 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCF)C1 ZINC001228603678 1311968439 /nfs/dbraw/zinc/96/84/39/1311968439.db2.gz RMXRPPXRWZQBBB-IIDMSEBBSA-N 1 3 345.478 2.576 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001161785985 1311972352 /nfs/dbraw/zinc/97/23/52/1311972352.db2.gz YFVIESYKDYXFLQ-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001161785985 1311972354 /nfs/dbraw/zinc/97/23/54/1311972354.db2.gz YFVIESYKDYXFLQ-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO Cn1c(CN2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)cccc1=O ZINC001277316673 1311972315 /nfs/dbraw/zinc/97/23/15/1311972315.db2.gz VEAZAPHEPOJICX-UHFFFAOYSA-N 1 3 329.488 2.616 20 0 EFADHO Cn1c(CN2CCC3(CC[N@H+](C4CCCC4)C3)CC2)cccc1=O ZINC001277316673 1311972317 /nfs/dbraw/zinc/97/23/17/1311972317.db2.gz VEAZAPHEPOJICX-UHFFFAOYSA-N 1 3 329.488 2.616 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001161946838 1312010940 /nfs/dbraw/zinc/01/09/40/1312010940.db2.gz HHZXCGIIJMSYJZ-UHFFFAOYSA-N 1 3 343.515 2.708 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001161946838 1312010941 /nfs/dbraw/zinc/01/09/41/1312010941.db2.gz HHZXCGIIJMSYJZ-UHFFFAOYSA-N 1 3 343.515 2.708 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161946977 1312011214 /nfs/dbraw/zinc/01/12/14/1312011214.db2.gz OWJXPJKSSZRJQR-HSALFYBXSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001161946977 1312011217 /nfs/dbraw/zinc/01/12/17/1312011217.db2.gz OWJXPJKSSZRJQR-HSALFYBXSA-N 1 3 347.547 2.901 20 0 EFADHO CN(C)c1cccc(N2CCC([NH3+])(Cc3ccccc3F)CC2)n1 ZINC001161987096 1312022572 /nfs/dbraw/zinc/02/25/72/1312022572.db2.gz KORKTTISJYAGFU-UHFFFAOYSA-N 1 3 328.435 2.827 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001228998299 1312033874 /nfs/dbraw/zinc/03/38/74/1312033874.db2.gz DBYOCSQEALBADA-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC001228998306 1312033931 /nfs/dbraw/zinc/03/39/31/1312033931.db2.gz DGAXKQHXNWZPCO-UHFFFAOYSA-N 1 3 339.430 2.657 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001229186079 1312058499 /nfs/dbraw/zinc/05/84/99/1312058499.db2.gz SLHCYJQDYKRSRS-CQSZACIVSA-N 1 3 349.441 2.784 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001229201502 1312061236 /nfs/dbraw/zinc/06/12/36/1312061236.db2.gz GADDILZGSKXVBC-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)N(C)C ZINC001229224274 1312063706 /nfs/dbraw/zinc/06/37/06/1312063706.db2.gz VYIRXVXIVZGGIL-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2cc(C)ccc2C)CC1)N(C)C ZINC001229222655 1312063712 /nfs/dbraw/zinc/06/37/12/1312063712.db2.gz DTRCJEVXADBQLN-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC001229230658 1312064693 /nfs/dbraw/zinc/06/46/93/1312064693.db2.gz KCNOCWBLSNLBRJ-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1)N(C)C ZINC001229254490 1312068263 /nfs/dbraw/zinc/06/82/63/1312068263.db2.gz SPHFPDSUXZJXFH-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000902757117 1312081929 /nfs/dbraw/zinc/08/19/29/1312081929.db2.gz OKTXCBUMEQKWJH-LEWJYISDSA-N 1 3 345.531 2.871 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015386112 1312089126 /nfs/dbraw/zinc/08/91/26/1312089126.db2.gz GUFSUDRYSRKMTN-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390191 1312090874 /nfs/dbraw/zinc/09/08/74/1312090874.db2.gz BYNJQWMCFIIPEI-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390191 1312090877 /nfs/dbraw/zinc/09/08/77/1312090877.db2.gz BYNJQWMCFIIPEI-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc([C@@H](C)[NH+](C)C)c3)C[C@H]1N2C ZINC001229620286 1312120813 /nfs/dbraw/zinc/12/08/13/1312120813.db2.gz AZVKVHMHLKYXNT-QIYYAMEXSA-N 1 3 346.471 2.855 20 0 EFADHO Cc1cccnc1CN[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+](C)C ZINC001229808182 1312143352 /nfs/dbraw/zinc/14/33/52/1312143352.db2.gz OMAJZSMSYTZIIL-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015497550 1312152746 /nfs/dbraw/zinc/15/27/46/1312152746.db2.gz FMNSRQSCHXJNET-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015503560 1312157124 /nfs/dbraw/zinc/15/71/24/1312157124.db2.gz KHUQRLOWWHCYRO-WMZOPIPTSA-N 1 3 329.488 2.813 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820817 1312165429 /nfs/dbraw/zinc/16/54/29/1312165429.db2.gz PVRMLCKPGRTGAN-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC001048820817 1312165433 /nfs/dbraw/zinc/16/54/33/1312165433.db2.gz PVRMLCKPGRTGAN-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1ccnc2[nH]cc(C[NH+](C)C)c21 ZINC001162777080 1312173900 /nfs/dbraw/zinc/17/39/00/1312173900.db2.gz KJMSGHMTDUPLEY-LBPRGKRZSA-N 1 3 334.427 2.983 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1ccccc1Cn1cc[nH+]c1N ZINC001162778976 1312174624 /nfs/dbraw/zinc/17/46/24/1312174624.db2.gz SXFCUFAJPIHEEI-CYBMUJFWSA-N 1 3 332.411 2.872 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CCCCC(F)(F)F)CC2)C1 ZINC001230034333 1312175224 /nfs/dbraw/zinc/17/52/24/1312175224.db2.gz JHYRSYKAIVRXES-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NC2CCN(CCCCC(F)(F)F)CC2)C1 ZINC001230034333 1312175226 /nfs/dbraw/zinc/17/52/26/1312175226.db2.gz JHYRSYKAIVRXES-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CN1CCN(c2ccc(NCc3ccc4c(c3)CC[NH2+]C4)cc2)CC1 ZINC001162809654 1312180477 /nfs/dbraw/zinc/18/04/77/1312180477.db2.gz GFLJNBJAUSWUQR-UHFFFAOYSA-N 1 3 336.483 2.696 20 0 EFADHO CC[C@H](C(=O)N(CC[NH2+]CC=C(C)C)CCc1ccccc1)N(C)C ZINC001162841287 1312187842 /nfs/dbraw/zinc/18/78/42/1312187842.db2.gz POVMYFCBHUWMAO-HXUWFJFHSA-N 1 3 345.531 2.954 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC001230112848 1312188376 /nfs/dbraw/zinc/18/83/76/1312188376.db2.gz CXAAXZZMHHYKAS-HNNXBMFYSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001230112851 1312188870 /nfs/dbraw/zinc/18/88/70/1312188870.db2.gz CXXOAKNPBQTZLR-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001230113027 1312189401 /nfs/dbraw/zinc/18/94/01/1312189401.db2.gz NNNRQLKQBFNZSV-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860099 1312203111 /nfs/dbraw/zinc/20/31/11/1312203111.db2.gz GUGWNSDYLXIOEC-YTQUADARSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001048860099 1312203113 /nfs/dbraw/zinc/20/31/13/1312203113.db2.gz GUGWNSDYLXIOEC-YTQUADARSA-N 1 3 341.499 2.622 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596549 1312203821 /nfs/dbraw/zinc/20/38/21/1312203821.db2.gz DJGBKGSFHLWPKB-RBUKOAKNSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596549 1312203824 /nfs/dbraw/zinc/20/38/24/1312203824.db2.gz DJGBKGSFHLWPKB-RBUKOAKNSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1 ZINC001162928854 1312206302 /nfs/dbraw/zinc/20/63/02/1312206302.db2.gz PTHQIOHAIHAMSI-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CCC(C)(C)C)CC2)CC1 ZINC001206679663 1312206511 /nfs/dbraw/zinc/20/65/11/1312206511.db2.gz MHKWQCBKPMVEOV-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864340 1312206720 /nfs/dbraw/zinc/20/67/20/1312206720.db2.gz XEFSPLUXCBIOFO-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864340 1312206723 /nfs/dbraw/zinc/20/67/23/1312206723.db2.gz XEFSPLUXCBIOFO-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C)C[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946757 1312208797 /nfs/dbraw/zinc/20/87/97/1312208797.db2.gz PQHPSXOWSICIDA-QGZVFWFLSA-N 1 3 342.487 2.659 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605412 1312210997 /nfs/dbraw/zinc/21/09/97/1312210997.db2.gz MQIZFZUJEXQEPR-YSIASYRMSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605412 1312210998 /nfs/dbraw/zinc/21/09/98/1312210998.db2.gz MQIZFZUJEXQEPR-YSIASYRMSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1C ZINC001015611297 1312214246 /nfs/dbraw/zinc/21/42/46/1312214246.db2.gz GSNAHFORCDTDLW-IHPCNDPISA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1C ZINC001015611297 1312214249 /nfs/dbraw/zinc/21/42/49/1312214249.db2.gz GSNAHFORCDTDLW-IHPCNDPISA-N 1 3 343.515 2.724 20 0 EFADHO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001230284358 1312215397 /nfs/dbraw/zinc/21/53/97/1312215397.db2.gz AJSSWTBQBHULDJ-RTBURBONSA-N 1 3 347.503 2.552 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875545 1312215668 /nfs/dbraw/zinc/21/56/68/1312215668.db2.gz BTNOOOOFGTVSOC-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875545 1312215671 /nfs/dbraw/zinc/21/56/71/1312215671.db2.gz BTNOOOOFGTVSOC-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001230366824 1312230654 /nfs/dbraw/zinc/23/06/54/1312230654.db2.gz JORBFYMJICPJCW-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001230374099 1312231680 /nfs/dbraw/zinc/23/16/80/1312231680.db2.gz JCVDCMDIYLFWIH-UHFFFAOYSA-N 1 3 335.467 2.577 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc2cc(OC)c(OC)cc2cn1 ZINC001163128590 1312246932 /nfs/dbraw/zinc/24/69/32/1312246932.db2.gz MIALIRZMNUAMRM-UHFFFAOYSA-N 1 3 345.447 2.530 20 0 EFADHO CCc1ccc(-c2ccc(NC(=N)NCC[NH+](CC)CC)nn2)cc1 ZINC001163129363 1312247088 /nfs/dbraw/zinc/24/70/88/1312247088.db2.gz KVIJNRKRFPTENO-UHFFFAOYSA-N 1 3 340.475 2.984 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655011 1312250398 /nfs/dbraw/zinc/25/03/98/1312250398.db2.gz JXJNYWXWBIUONN-IBGZPJMESA-N 1 3 343.515 2.842 20 0 EFADHO C[NH+](C)CCCOc1ccc(N[C@@H]2CNCc3ccsc32)cn1 ZINC001163229864 1312270270 /nfs/dbraw/zinc/27/02/70/1312270270.db2.gz LRVAZJXXYPBFNT-OAHLLOKOSA-N 1 3 332.473 2.730 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001230617832 1312285911 /nfs/dbraw/zinc/28/59/11/1312285911.db2.gz GNPMYXJHIRCEJD-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C[C@@H](F)CC)CC1 ZINC001230617832 1312285915 /nfs/dbraw/zinc/28/59/15/1312285915.db2.gz GNPMYXJHIRCEJD-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230617888 1312286010 /nfs/dbraw/zinc/28/60/10/1312286010.db2.gz HJKCKHDUOFRXGU-FUHWJXTLSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230617888 1312286013 /nfs/dbraw/zinc/28/60/13/1312286013.db2.gz HJKCKHDUOFRXGU-FUHWJXTLSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001230617830 1312286223 /nfs/dbraw/zinc/28/62/23/1312286223.db2.gz GNPMYXJHIRCEJD-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C[C@H](F)CC)CC1 ZINC001230617830 1312286226 /nfs/dbraw/zinc/28/62/26/1312286226.db2.gz GNPMYXJHIRCEJD-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO COc1cccc([C@@H](C[NH3+])Nc2ccc(CN(C)C3CC3)cn2)c1 ZINC001163313557 1312287363 /nfs/dbraw/zinc/28/73/63/1312287363.db2.gz PSZMINCCEBKIIZ-GOSISDBHSA-N 1 3 326.444 2.796 20 0 EFADHO CCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230622179 1312288067 /nfs/dbraw/zinc/28/80/67/1312288067.db2.gz KGMYVVBDYCEWCG-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001230622179 1312288071 /nfs/dbraw/zinc/28/80/71/1312288071.db2.gz KGMYVVBDYCEWCG-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+](CCCNC(=O)[C@@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778479 1312338635 /nfs/dbraw/zinc/33/86/35/1312338635.db2.gz PRXVTRRAILXSCW-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)[C@@H](C1CC1)N(C)C)Cc1cccnc1 ZINC001230778479 1312338640 /nfs/dbraw/zinc/33/86/40/1312338640.db2.gz PRXVTRRAILXSCW-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)Cc1cccnc1 ZINC001230778762 1312340032 /nfs/dbraw/zinc/34/00/32/1312340032.db2.gz WIZCLNHACVQPFR-IBGZPJMESA-N 1 3 346.519 2.673 20 0 EFADHO CCN(CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C)Cc1cccnc1 ZINC001230778762 1312340036 /nfs/dbraw/zinc/34/00/36/1312340036.db2.gz WIZCLNHACVQPFR-IBGZPJMESA-N 1 3 346.519 2.673 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](CCC(C)C)Cc1cccnc1)N(C)C ZINC001230783438 1312341153 /nfs/dbraw/zinc/34/11/53/1312341153.db2.gz JMUOZWSOAMKEMS-LJQANCHMSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](CCC(C)C)Cc1cccnc1)N(C)C ZINC001230783438 1312341156 /nfs/dbraw/zinc/34/11/56/1312341156.db2.gz JMUOZWSOAMKEMS-LJQANCHMSA-N 1 3 348.535 2.776 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@@H+](Cc1cccnc1)CC1CC1 ZINC001230790066 1312344649 /nfs/dbraw/zinc/34/46/49/1312344649.db2.gz QSTAKXWYFMVWKA-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[N@H+](Cc1cccnc1)CC1CC1 ZINC001230790066 1312344652 /nfs/dbraw/zinc/34/46/52/1312344652.db2.gz QSTAKXWYFMVWKA-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001015791895 1312361462 /nfs/dbraw/zinc/36/14/62/1312361462.db2.gz OTCSVPAIDZGAJR-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001015791895 1312361464 /nfs/dbraw/zinc/36/14/64/1312361464.db2.gz OTCSVPAIDZGAJR-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015793803 1312361986 /nfs/dbraw/zinc/36/19/86/1312361986.db2.gz DETHGININMTROJ-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015793810 1312362504 /nfs/dbraw/zinc/36/25/04/1312362504.db2.gz DETHGININMTROJ-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001015793657 1312363522 /nfs/dbraw/zinc/36/35/22/1312363522.db2.gz BXMDROZLNMVHAP-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001015793657 1312363526 /nfs/dbraw/zinc/36/35/26/1312363526.db2.gz BXMDROZLNMVHAP-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(CCCc3ccsc3)C2)CC1 ZINC001015797198 1312368130 /nfs/dbraw/zinc/36/81/30/1312368130.db2.gz ZKNOYVIZOHESIW-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)C[N@H+](CCCNC(=O)CN1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846772 1312369934 /nfs/dbraw/zinc/36/99/34/1312369934.db2.gz WSTHUIDDHJOKLF-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)C[N@@H+](CCCNC(=O)CN1CCC[C@@H]1C)Cc1cccnc1 ZINC001230846772 1312369937 /nfs/dbraw/zinc/36/99/37/1312369937.db2.gz WSTHUIDDHJOKLF-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846705 1312369983 /nfs/dbraw/zinc/36/99/83/1312369983.db2.gz VAQFCORJOZHZLM-SFHVURJKSA-N 1 3 346.519 2.532 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccnc1 ZINC001230846705 1312369985 /nfs/dbraw/zinc/36/99/85/1312369985.db2.gz VAQFCORJOZHZLM-SFHVURJKSA-N 1 3 346.519 2.532 20 0 EFADHO CCN(CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)Cc1cccnc1 ZINC001230861746 1312371617 /nfs/dbraw/zinc/37/16/17/1312371617.db2.gz PCAXVDSWOANMDX-GOSISDBHSA-N 1 3 346.519 2.674 20 0 EFADHO CCN(CCCNC(=O)CCC[NH+]1CCCCC1)Cc1cccnc1 ZINC001230922925 1312392618 /nfs/dbraw/zinc/39/26/18/1312392618.db2.gz AFLCNMPVQNQBKR-UHFFFAOYSA-N 1 3 346.519 2.676 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049039841 1312392797 /nfs/dbraw/zinc/39/27/97/1312392797.db2.gz UMAPNVJSQWRICJ-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049039841 1312392801 /nfs/dbraw/zinc/39/28/01/1312392801.db2.gz UMAPNVJSQWRICJ-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001049040282 1312392845 /nfs/dbraw/zinc/39/28/45/1312392845.db2.gz ZYMIOUJBKKVIQP-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001049040282 1312392850 /nfs/dbraw/zinc/39/28/50/1312392850.db2.gz ZYMIOUJBKKVIQP-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001049039855 1312392923 /nfs/dbraw/zinc/39/29/23/1312392923.db2.gz UTLXCSQZSAWMFP-ZCFHBRKKSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001049039855 1312392929 /nfs/dbraw/zinc/39/29/29/1312392929.db2.gz UTLXCSQZSAWMFP-ZCFHBRKKSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[N@H+](CCC1CC1)Cc1cccnc1 ZINC001230932354 1312396221 /nfs/dbraw/zinc/39/62/21/1312396221.db2.gz SSSKFJHAWHTCOG-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[N@@H+](CCC1CC1)Cc1cccnc1 ZINC001230932354 1312396223 /nfs/dbraw/zinc/39/62/23/1312396223.db2.gz SSSKFJHAWHTCOG-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932263 1312396406 /nfs/dbraw/zinc/39/64/06/1312396406.db2.gz QRVXYCMABKOQAC-UHFFFAOYSA-N 1 3 334.508 2.530 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230932263 1312396409 /nfs/dbraw/zinc/39/64/09/1312396409.db2.gz QRVXYCMABKOQAC-UHFFFAOYSA-N 1 3 334.508 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001049057760 1312412724 /nfs/dbraw/zinc/41/27/24/1312412724.db2.gz RSHQPMCGXHKISL-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001049057760 1312412728 /nfs/dbraw/zinc/41/27/28/1312412728.db2.gz RSHQPMCGXHKISL-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(=O)OCc1cccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000903159312 1312417465 /nfs/dbraw/zinc/41/74/65/1312417465.db2.gz FZNLVEBLTQWXIE-IRXDYDNUSA-N 1 3 348.487 2.901 20 0 EFADHO CC(=O)OCc1cccc([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000903159312 1312417467 /nfs/dbraw/zinc/41/74/67/1312417467.db2.gz FZNLVEBLTQWXIE-IRXDYDNUSA-N 1 3 348.487 2.901 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001049065981 1312418630 /nfs/dbraw/zinc/41/86/30/1312418630.db2.gz BGHTWPIDCDCKDQ-NWGLXNPWSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001049065981 1312418632 /nfs/dbraw/zinc/41/86/32/1312418632.db2.gz BGHTWPIDCDCKDQ-NWGLXNPWSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001049065982 1312418980 /nfs/dbraw/zinc/41/89/80/1312418980.db2.gz BGHTWPIDCDCKDQ-RMRDIRSESA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccc(F)cc3)C[C@@H]2C1)N(C)C ZINC001049065982 1312418982 /nfs/dbraw/zinc/41/89/82/1312418982.db2.gz BGHTWPIDCDCKDQ-RMRDIRSESA-N 1 3 347.478 2.617 20 0 EFADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@@H]1c1ccccc1 ZINC000903172172 1312427921 /nfs/dbraw/zinc/42/79/21/1312427921.db2.gz MQUBMLMTFWLCJV-KEAPPQJHSA-N 1 3 326.484 2.900 20 0 EFADHO OC[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@@H]1c1ccccc1 ZINC000903172172 1312427925 /nfs/dbraw/zinc/42/79/25/1312427925.db2.gz MQUBMLMTFWLCJV-KEAPPQJHSA-N 1 3 326.484 2.900 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049096876 1312452820 /nfs/dbraw/zinc/45/28/20/1312452820.db2.gz BQBZTCPZWAHYQB-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049096876 1312452824 /nfs/dbraw/zinc/45/28/24/1312452824.db2.gz BQBZTCPZWAHYQB-ZCNNSNEGSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015931169 1312454508 /nfs/dbraw/zinc/45/45/08/1312454508.db2.gz ZKDJSHMSWBECEW-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)C1(CNc2ccc(C3=CCOCC3)cc2)CC[NH+](C)CC1 ZINC001164210477 1312468872 /nfs/dbraw/zinc/46/88/72/1312468872.db2.gz DQEXQKMRYJZZDE-UHFFFAOYSA-N 1 3 329.488 2.928 20 0 EFADHO CN(C)C1(CNc2ccc(-c3csnn3)cc2)CC[NH+](C)CC1 ZINC001164213230 1312469512 /nfs/dbraw/zinc/46/95/12/1312469512.db2.gz PZFQYTJFBDKZTA-UHFFFAOYSA-N 1 3 331.489 2.643 20 0 EFADHO CCOC(=O)c1cc(C)c(NCC2(N(C)C)CC[NH+](C)CC2)cc1C ZINC001164216731 1312470625 /nfs/dbraw/zinc/47/06/25/1312470625.db2.gz JGBQNVVSCHPKOP-UHFFFAOYSA-N 1 3 347.503 2.918 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@H]3C2)cc1 ZINC001049116375 1312475799 /nfs/dbraw/zinc/47/57/99/1312475799.db2.gz MSXWFANMYPLLOG-JLUIXJRYSA-N 1 3 347.890 2.505 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224311 1312477567 /nfs/dbraw/zinc/47/75/67/1312477567.db2.gz UHDKFNNOQJCKOX-YPAMNDHTSA-N 1 3 331.426 2.761 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224311 1312477571 /nfs/dbraw/zinc/47/75/71/1312477571.db2.gz UHDKFNNOQJCKOX-YPAMNDHTSA-N 1 3 331.426 2.761 20 0 EFADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001015971197 1312483674 /nfs/dbraw/zinc/48/36/74/1312483674.db2.gz ZWRPQNKICNIBAY-FQEVSTJZSA-N 1 3 345.531 2.799 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997658 1312499901 /nfs/dbraw/zinc/49/99/01/1312499901.db2.gz FOPSMMBOEVOOGU-VQIMIIECSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997658 1312499904 /nfs/dbraw/zinc/49/99/04/1312499904.db2.gz FOPSMMBOEVOOGU-VQIMIIECSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001015998867 1312501615 /nfs/dbraw/zinc/50/16/15/1312501615.db2.gz RAXIMVOYZWPZHQ-IEBWSBKVSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015998867 1312501619 /nfs/dbraw/zinc/50/16/19/1312501619.db2.gz RAXIMVOYZWPZHQ-IEBWSBKVSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998864 1312501809 /nfs/dbraw/zinc/50/18/09/1312501809.db2.gz RAXIMVOYZWPZHQ-HKUYNNGSSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998864 1312501811 /nfs/dbraw/zinc/50/18/11/1312501811.db2.gz RAXIMVOYZWPZHQ-HKUYNNGSSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165080859 1312564028 /nfs/dbraw/zinc/56/40/28/1312564028.db2.gz CMYQEANQQGMYJG-UXHICEINSA-N 1 3 336.483 2.854 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1 ZINC001165080859 1312564031 /nfs/dbraw/zinc/56/40/31/1312564031.db2.gz CMYQEANQQGMYJG-UXHICEINSA-N 1 3 336.483 2.854 20 0 EFADHO c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001165169418 1312580929 /nfs/dbraw/zinc/58/09/29/1312580929.db2.gz QABMXJBJGJZIJB-IRLDBZIGSA-N 1 3 348.494 2.655 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001165289484 1312603518 /nfs/dbraw/zinc/60/35/18/1312603518.db2.gz CRUCQFBFHXTQSZ-APWZRJJASA-N 1 3 342.487 2.744 20 0 EFADHO C[N@H+]1CCC[C@H](CCNc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001165289484 1312603523 /nfs/dbraw/zinc/60/35/23/1312603523.db2.gz CRUCQFBFHXTQSZ-APWZRJJASA-N 1 3 342.487 2.744 20 0 EFADHO c1c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)nc2cc[nH]cc1-2 ZINC001232014756 1312605863 /nfs/dbraw/zinc/60/58/63/1312605863.db2.gz OSANHIDTIRDSIO-ICSRJNTNSA-N 1 3 348.450 2.900 20 0 EFADHO c1c(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)nc2cc[nH]cc1-2 ZINC001232014756 1312605866 /nfs/dbraw/zinc/60/58/66/1312605866.db2.gz OSANHIDTIRDSIO-ICSRJNTNSA-N 1 3 348.450 2.900 20 0 EFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232015951 1312606041 /nfs/dbraw/zinc/60/60/41/1312606041.db2.gz OUKQRHZRHUXVNH-GOSISDBHSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232015951 1312606044 /nfs/dbraw/zinc/60/60/44/1312606044.db2.gz OUKQRHZRHUXVNH-GOSISDBHSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232015951 1312606047 /nfs/dbraw/zinc/60/60/47/1312606047.db2.gz OUKQRHZRHUXVNH-GOSISDBHSA-N 1 3 328.460 2.638 20 0 EFADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232015951 1312606048 /nfs/dbraw/zinc/60/60/48/1312606048.db2.gz OUKQRHZRHUXVNH-GOSISDBHSA-N 1 3 328.460 2.638 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231643 1312606110 /nfs/dbraw/zinc/60/61/10/1312606110.db2.gz HVPDTFSEJLSUHC-RWQQGDIJSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049231643 1312606113 /nfs/dbraw/zinc/60/61/13/1312606113.db2.gz HVPDTFSEJLSUHC-RWQQGDIJSA-N 1 3 347.547 2.686 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231764 1312606284 /nfs/dbraw/zinc/60/62/84/1312606284.db2.gz KGBHRGCGYIGOKK-AHRSYUTCSA-N 1 3 343.515 2.798 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231764 1312606288 /nfs/dbraw/zinc/60/62/88/1312606288.db2.gz KGBHRGCGYIGOKK-AHRSYUTCSA-N 1 3 343.515 2.798 20 0 EFADHO CN1c2ccccc2[C@]2(CC[N@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001232015589 1312606324 /nfs/dbraw/zinc/60/63/24/1312606324.db2.gz YYIRFGHOYLEHIV-HXUWFJFHSA-N 1 3 332.407 2.683 20 0 EFADHO CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cc4cnccc4[nH]3)C2)C1=O ZINC001232015589 1312606327 /nfs/dbraw/zinc/60/63/27/1312606327.db2.gz YYIRFGHOYLEHIV-HXUWFJFHSA-N 1 3 332.407 2.683 20 0 EFADHO CC[C@@H](F)C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232344 1312606731 /nfs/dbraw/zinc/60/67/31/1312606731.db2.gz STXCIQBVDRFJRK-CEXWTWQISA-N 1 3 347.478 2.500 20 0 EFADHO CC[C@@H](F)C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232344 1312606734 /nfs/dbraw/zinc/60/67/34/1312606734.db2.gz STXCIQBVDRFJRK-CEXWTWQISA-N 1 3 347.478 2.500 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049232929 1312607510 /nfs/dbraw/zinc/60/75/10/1312607510.db2.gz FKHQGWCBRQJJDO-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049232929 1312607514 /nfs/dbraw/zinc/60/75/14/1312607514.db2.gz FKHQGWCBRQJJDO-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049234045 1312609082 /nfs/dbraw/zinc/60/90/82/1312609082.db2.gz XDPILBLLPAGDES-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049234045 1312609086 /nfs/dbraw/zinc/60/90/86/1312609086.db2.gz XDPILBLLPAGDES-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234341 1312609224 /nfs/dbraw/zinc/60/92/24/1312609224.db2.gz DDBZTKMQLPKAEB-HDICACEKSA-N 1 3 329.488 2.552 20 0 EFADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234341 1312609226 /nfs/dbraw/zinc/60/92/26/1312609226.db2.gz DDBZTKMQLPKAEB-HDICACEKSA-N 1 3 329.488 2.552 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@H]2C1 ZINC001049235460 1312610447 /nfs/dbraw/zinc/61/04/47/1312610447.db2.gz PXVSVTQEFOYYHD-CZIQXLRQSA-N 1 3 347.890 2.505 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277606774 1312616326 /nfs/dbraw/zinc/61/63/26/1312616326.db2.gz GSZPIOKLUVTRJK-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001277606774 1312616330 /nfs/dbraw/zinc/61/63/30/1312616330.db2.gz GSZPIOKLUVTRJK-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001232144289 1312633864 /nfs/dbraw/zinc/63/38/64/1312633864.db2.gz MAWWGCOGJNDLOG-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)CCC1 ZINC001165464582 1312633940 /nfs/dbraw/zinc/63/39/40/1312633940.db2.gz GYCVYMGUOLGRLK-UHFFFAOYSA-N 1 3 333.520 2.847 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC001165465173 1312633967 /nfs/dbraw/zinc/63/39/67/1312633967.db2.gz VWWYZJIBHZCQTR-UHFFFAOYSA-N 1 3 349.544 2.917 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC3CC4(CCC4)C3)CC2)CCC1 ZINC001165464899 1312634056 /nfs/dbraw/zinc/63/40/56/1312634056.db2.gz PJHLCCVUKLAYJS-UHFFFAOYSA-N 1 3 347.547 2.927 20 0 EFADHO CCN1CC[C@@]2(C[N@H+](Cc3cc(F)cc(CN(C)C)c3)C[C@@H]2C)C1=O ZINC001232149156 1312634151 /nfs/dbraw/zinc/63/41/51/1312634151.db2.gz WCAHRFCLYJKWAX-YWZLYKJASA-N 1 3 347.478 2.578 20 0 EFADHO CCN1CC[C@@]2(C[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C[C@@H]2C)C1=O ZINC001232149156 1312634154 /nfs/dbraw/zinc/63/41/54/1312634154.db2.gz WCAHRFCLYJKWAX-YWZLYKJASA-N 1 3 347.478 2.578 20 0 EFADHO CC[C@H]1N(Cc2cc(F)cc(C[NH+](C)C)c2)CCC[C@]12CCC(=O)N2 ZINC001232148867 1312634745 /nfs/dbraw/zinc/63/47/45/1312634745.db2.gz LJAQBPKKLJTYAD-QUCCMNQESA-N 1 3 347.478 2.911 20 0 EFADHO CCc1ncnc2c1CCN(Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232150939 1312634962 /nfs/dbraw/zinc/63/49/62/1312634962.db2.gz WRTUNVRJDFXXST-UHFFFAOYSA-N 1 3 342.462 2.841 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)C1CC1 ZINC001165485238 1312636957 /nfs/dbraw/zinc/63/69/57/1312636957.db2.gz QCBVAASPCVEIEN-SFHVURJKSA-N 1 3 347.547 2.783 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001165616987 1312653488 /nfs/dbraw/zinc/65/34/88/1312653488.db2.gz FRNBUBGAOAMAIJ-KRWDZBQOSA-N 1 3 337.552 2.885 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001165617973 1312653958 /nfs/dbraw/zinc/65/39/58/1312653958.db2.gz TUIQXIVIUKDQLI-INIZCTEOSA-N 1 3 325.541 2.885 20 0 EFADHO CNC(=O)C(C)(C)N1CCC2(CC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001277638279 1312661019 /nfs/dbraw/zinc/66/10/19/1312661019.db2.gz AXQTTWWJJYFKAC-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO CNC(=O)C(C)(C)N1CCC2(CC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277638279 1312661023 /nfs/dbraw/zinc/66/10/23/1312661023.db2.gz AXQTTWWJJYFKAC-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867367 1314433857 /nfs/dbraw/zinc/43/38/57/1314433857.db2.gz LQZQVINZDDYRRO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867367 1314433860 /nfs/dbraw/zinc/43/38/60/1314433860.db2.gz LQZQVINZDDYRRO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052898993 1314459886 /nfs/dbraw/zinc/45/98/86/1314459886.db2.gz LEEJVRGEBJEREB-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052898993 1314459892 /nfs/dbraw/zinc/45/98/92/1314459892.db2.gz LEEJVRGEBJEREB-KRWDZBQOSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052898439 1314459989 /nfs/dbraw/zinc/45/99/89/1314459989.db2.gz ANRCADGCHFMVHT-KRWDZBQOSA-N 1 3 344.503 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052898439 1314459995 /nfs/dbraw/zinc/45/99/95/1314459995.db2.gz ANRCADGCHFMVHT-KRWDZBQOSA-N 1 3 344.503 2.812 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001211247846 1314463125 /nfs/dbraw/zinc/46/31/25/1314463125.db2.gz ARIHBHUFIARUIH-CQSZACIVSA-N 1 3 348.318 2.762 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211247926 1314463588 /nfs/dbraw/zinc/46/35/88/1314463588.db2.gz CKFACWVEEBBUIG-DLBZAZTESA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001211268079 1314466647 /nfs/dbraw/zinc/46/66/47/1314466647.db2.gz GTKCXWLWXXSBKD-KRWDZBQOSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001211269170 1314467120 /nfs/dbraw/zinc/46/71/20/1314467120.db2.gz NHZGPWJUUPMVSH-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001211279087 1314468165 /nfs/dbraw/zinc/46/81/65/1314468165.db2.gz VYHVOTRXJRVAAD-HKUYNNGSSA-N 1 3 329.488 2.595 20 0 EFADHO Cc1cccc(CCC[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211278059 1314468266 /nfs/dbraw/zinc/46/82/66/1314468266.db2.gz PIWSMKOOVSKDOQ-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001211284591 1314469772 /nfs/dbraw/zinc/46/97/72/1314469772.db2.gz NEBXRYDOLLVNCP-CVEARBPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001211287144 1314469872 /nfs/dbraw/zinc/46/98/72/1314469872.db2.gz ZXVXLINGLFGSGY-DNVCBOLYSA-N 1 3 347.478 2.734 20 0 EFADHO CC(=O)OCc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1C ZINC001245379280 1314480528 /nfs/dbraw/zinc/48/05/28/1314480528.db2.gz QWAQVEFGJJMDLW-UHFFFAOYSA-N 1 3 325.412 2.530 20 0 EFADHO Nc1[nH+]ccn1Cc1ccccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245430133 1314490329 /nfs/dbraw/zinc/49/03/29/1314490329.db2.gz VDQNAWNJSQFJIX-GOSISDBHSA-N 1 3 338.455 2.782 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001019812382 1314513719 /nfs/dbraw/zinc/51/37/19/1314513719.db2.gz MBWQRPSYLYZICA-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001019820375 1314516161 /nfs/dbraw/zinc/51/61/61/1314516161.db2.gz HXFJMPAOQAVHNA-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)=CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052984220 1314541527 /nfs/dbraw/zinc/54/15/27/1314541527.db2.gz HDTARLPOSUUYPS-KDURUIRLSA-N 1 3 331.504 2.502 20 0 EFADHO CCCCCCN1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434407 1314553786 /nfs/dbraw/zinc/55/37/86/1314553786.db2.gz AOQKJXNIUWPPNA-KZNAEPCWSA-N 1 3 341.540 2.503 20 0 EFADHO C[C@@H]1CC[C@@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001245970261 1314557125 /nfs/dbraw/zinc/55/71/25/1314557125.db2.gz BPMRTZZCXGMBEC-RYRKJORJSA-N 1 3 334.504 2.702 20 0 EFADHO O[C@]1(C[NH2+]CCc2cccc(Oc3ccccc3)c2)CCCNC1 ZINC001245982993 1314558927 /nfs/dbraw/zinc/55/89/27/1314558927.db2.gz IAKPSVWVJODASC-HXUWFJFHSA-N 1 3 326.440 2.726 20 0 EFADHO O[C@]1(CNCCc2cccc(Oc3ccccc3)c2)CCC[NH2+]C1 ZINC001245982993 1314558930 /nfs/dbraw/zinc/55/89/30/1314558930.db2.gz IAKPSVWVJODASC-HXUWFJFHSA-N 1 3 326.440 2.726 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982906 1314559365 /nfs/dbraw/zinc/55/93/65/1314559365.db2.gz KFYVIRASIGOPHM-IZBJGVDFSA-N 1 3 332.488 2.527 20 0 EFADHO O[C@@]1(C[NH2+]CCSCc2c(Cl)cccc2Cl)CCCNC1 ZINC001245982689 1314559418 /nfs/dbraw/zinc/55/94/18/1314559418.db2.gz FOWVTHXXIGWVKN-HNNXBMFYSA-N 1 3 349.327 2.931 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245986790 1314559981 /nfs/dbraw/zinc/55/99/81/1314559981.db2.gz ZMZULRLRPBNVOG-AYBZRNKSSA-N 1 3 334.504 2.702 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245989141 1314560810 /nfs/dbraw/zinc/56/08/10/1314560810.db2.gz YIXUZCDIRDGWAW-CADBVGFASA-N 1 3 326.525 2.560 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CNC[C@]1(C)CCCC[NH2+]C1 ZINC001245993227 1314561464 /nfs/dbraw/zinc/56/14/64/1314561464.db2.gz NGBQGLTURKBSMN-GBESFXJTSA-N 1 3 328.541 2.950 20 0 EFADHO NC1(C[NH2+]C[C@@H](O)COc2cccc3ccccc32)CCCCC1 ZINC001245994982 1314561598 /nfs/dbraw/zinc/56/15/98/1314561598.db2.gz QKWCGJBCPOOGMU-QGZVFWFLSA-N 1 3 328.456 2.831 20 0 EFADHO O[C@]1(CNCC2(Cc3ccc(C(F)(F)F)cc3)CCC2)CC[NH2+]C1 ZINC001245999508 1314563184 /nfs/dbraw/zinc/56/31/84/1314563184.db2.gz KLGCECYPWZNVEH-QGZVFWFLSA-N 1 3 342.405 2.732 20 0 EFADHO CC(C)(C[NH2+]C[C@]1(O)CCCNC1)Cc1ccc(C(F)(F)F)cc1 ZINC001246004520 1314565036 /nfs/dbraw/zinc/56/50/36/1314565036.db2.gz HHWXNHFMRDVMNJ-KRWDZBQOSA-N 1 3 344.421 2.978 20 0 EFADHO CC(C)(C[NH2+]C[C@@]1(O)CCCNC1)Cc1ccc(C(F)(F)F)cc1 ZINC001246004522 1314565185 /nfs/dbraw/zinc/56/51/85/1314565185.db2.gz HHWXNHFMRDVMNJ-QGZVFWFLSA-N 1 3 344.421 2.978 20 0 EFADHO O[C@]1(CNCC2(Cc3cccc(C(F)(F)F)c3)CCC2)CC[NH2+]C1 ZINC001246008484 1314565253 /nfs/dbraw/zinc/56/52/53/1314565253.db2.gz TYHMBRLPNFSRBY-QGZVFWFLSA-N 1 3 342.405 2.732 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246027785 1314569742 /nfs/dbraw/zinc/56/97/42/1314569742.db2.gz JAAFTACWOIXLMY-SFTDATJTSA-N 1 3 346.515 2.810 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001246027760 1314570131 /nfs/dbraw/zinc/57/01/31/1314570131.db2.gz JAAFTACWOIXLMY-LEWJYISDSA-N 1 3 346.515 2.810 20 0 EFADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246035931 1314570912 /nfs/dbraw/zinc/57/09/12/1314570912.db2.gz VCYNOQCDTOLAAO-FAJBIJEISA-N 1 3 336.907 2.939 20 0 EFADHO CC(C)(C)[C@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246035931 1314570917 /nfs/dbraw/zinc/57/09/17/1314570917.db2.gz VCYNOQCDTOLAAO-FAJBIJEISA-N 1 3 336.907 2.939 20 0 EFADHO C[C@@](O)(CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)c1ccccc1 ZINC001246037308 1314572545 /nfs/dbraw/zinc/57/25/45/1314572545.db2.gz RRZLMTYMOCFQDD-VSKRKVRLSA-N 1 3 336.479 2.973 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246045646 1314573533 /nfs/dbraw/zinc/57/35/33/1314573533.db2.gz NQTPYNRSVQLZEY-VQTJNVASSA-N 1 3 348.437 2.678 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246045646 1314573536 /nfs/dbraw/zinc/57/35/36/1314573536.db2.gz NQTPYNRSVQLZEY-VQTJNVASSA-N 1 3 348.437 2.678 20 0 EFADHO O[C@@]1(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CCCNC1 ZINC001246049948 1314573849 /nfs/dbraw/zinc/57/38/49/1314573849.db2.gz TVTMCEHHBUQVGA-KRWDZBQOSA-N 1 3 342.405 2.999 20 0 EFADHO O[C@]1(C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)CCCNC1 ZINC001246052887 1314575772 /nfs/dbraw/zinc/57/57/72/1314575772.db2.gz DQHZMXKFDFSOEY-GOSISDBHSA-N 1 3 340.870 2.848 20 0 EFADHO O[C@@]1(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056516 1314576649 /nfs/dbraw/zinc/57/66/49/1314576649.db2.gz PGSYMVSVKNOPBQ-ZBFHGGJFSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056516 1314576653 /nfs/dbraw/zinc/57/66/53/1314576653.db2.gz PGSYMVSVKNOPBQ-ZBFHGGJFSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246094942 1314582617 /nfs/dbraw/zinc/58/26/17/1314582617.db2.gz HKUQROPNGNRGAZ-PBHICJAKSA-N 1 3 343.298 2.945 20 0 EFADHO C[C@@H]1CC[C@@H](CN[C@H]2CCC(=O)N(Cc3ccccc3)CC2)[NH2+]C1 ZINC001246108773 1314583739 /nfs/dbraw/zinc/58/37/39/1314583739.db2.gz WHLXPYLGNOKYAD-NEWSRXKRSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1NC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001246119548 1314585295 /nfs/dbraw/zinc/58/52/95/1314585295.db2.gz WBWIWIADKGZSCT-CXAGYDPISA-N 1 3 335.879 2.532 20 0 EFADHO Clc1ccc2c(c1)CC[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246144202 1314589344 /nfs/dbraw/zinc/58/93/44/1314589344.db2.gz JMPOUYCUKQWKMY-OTWHNJEPSA-N 1 3 334.891 2.946 20 0 EFADHO Clc1ccc2c(c1)CC[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246144204 1314589484 /nfs/dbraw/zinc/58/94/84/1314589484.db2.gz JMPOUYCUKQWKMY-QRVBRYPASA-N 1 3 334.891 2.946 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246153579 1314589812 /nfs/dbraw/zinc/58/98/12/1314589812.db2.gz YQMWLRNLDPYQRV-CNXAATOLSA-N 1 3 329.271 2.748 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246153579 1314589815 /nfs/dbraw/zinc/58/98/15/1314589815.db2.gz YQMWLRNLDPYQRV-CNXAATOLSA-N 1 3 329.271 2.748 20 0 EFADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246148706 1314590022 /nfs/dbraw/zinc/59/00/22/1314590022.db2.gz QDFLNUVDTIMMQR-CAAGUOMGSA-N 1 3 329.271 2.891 20 0 EFADHO CCCC[C@@H]1C[C@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171883 1314593311 /nfs/dbraw/zinc/59/33/11/1314593311.db2.gz TZVNOIBVBGCQNN-RTBURBONSA-N 1 3 337.552 2.922 20 0 EFADHO CC(C)(C)[C@@H]1C[C@@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171926 1314593536 /nfs/dbraw/zinc/59/35/36/1314593536.db2.gz ULQPGRRRQZNHPF-ROUUACIJSA-N 1 3 337.552 2.778 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246218120 1314598434 /nfs/dbraw/zinc/59/84/34/1314598434.db2.gz MCTSEMBGMCTFIR-AMKSKSKJSA-N 1 3 332.822 2.906 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001246217450 1314598569 /nfs/dbraw/zinc/59/85/69/1314598569.db2.gz GPQMOIMRNIVEFD-DAXOMENPSA-N 1 3 329.271 2.817 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H](NC[C@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246282191 1314606393 /nfs/dbraw/zinc/60/63/93/1314606393.db2.gz UEXCLGUBCXWFGU-BHDDXSALSA-N 1 3 335.495 2.654 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246329276 1314611223 /nfs/dbraw/zinc/61/12/23/1314611223.db2.gz UMWVXXPWOMIKKP-MAUKXSAKSA-N 1 3 332.488 2.843 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@@H]3CCN[C@@H](C)C3)CC2)cc1F ZINC001246360687 1314615880 /nfs/dbraw/zinc/61/58/80/1314615880.db2.gz HRRYZPVITQEFCR-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001053038069 1314616587 /nfs/dbraw/zinc/61/65/87/1314616587.db2.gz FFVIFMVCLANBAH-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001053038069 1314616591 /nfs/dbraw/zinc/61/65/91/1314616591.db2.gz FFVIFMVCLANBAH-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001053038068 1314616859 /nfs/dbraw/zinc/61/68/59/1314616859.db2.gz FFVIFMVCLANBAH-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001053038068 1314616864 /nfs/dbraw/zinc/61/68/64/1314616864.db2.gz FFVIFMVCLANBAH-ROUUACIJSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041067 1314621293 /nfs/dbraw/zinc/62/12/93/1314621293.db2.gz XHYYDMBZEOWSMQ-QZTJIDSGSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041067 1314621297 /nfs/dbraw/zinc/62/12/97/1314621297.db2.gz XHYYDMBZEOWSMQ-QZTJIDSGSA-N 1 3 346.519 2.949 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041449 1314622293 /nfs/dbraw/zinc/62/22/93/1314622293.db2.gz ZWJIMXDDLZBTJZ-SJORKVTESA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041449 1314622295 /nfs/dbraw/zinc/62/22/95/1314622295.db2.gz ZWJIMXDDLZBTJZ-SJORKVTESA-N 1 3 332.492 2.703 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3F)CC2)CCN1 ZINC001246397626 1314623545 /nfs/dbraw/zinc/62/35/45/1314623545.db2.gz SNUGHHKGZOIFLF-FPCVCCKLSA-N 1 3 333.451 2.597 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246399137 1314623554 /nfs/dbraw/zinc/62/35/54/1314623554.db2.gz JFQSBVIDVFTVKJ-MAUKXSAKSA-N 1 3 349.450 2.687 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3F)CC2)CCN1 ZINC001246397632 1314623903 /nfs/dbraw/zinc/62/39/03/1314623903.db2.gz SNUGHHKGZOIFLF-YHUYYLMFSA-N 1 3 333.451 2.597 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246401595 1314624590 /nfs/dbraw/zinc/62/45/90/1314624590.db2.gz HLHFCPSITDNOPF-BNEJOLLZSA-N 1 3 333.451 2.597 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H]([NH2+][C@@H]2CCCCNC2)C1 ZINC001246406863 1314625530 /nfs/dbraw/zinc/62/55/30/1314625530.db2.gz PYTARKWKUOMMCS-SJORKVTESA-N 1 3 341.503 2.757 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4ccccc4C3=O)CC2)CCN1 ZINC001246436239 1314629284 /nfs/dbraw/zinc/62/92/84/1314629284.db2.gz HXASYPGWRSKIPH-OWLYRPNTSA-N 1 3 327.472 2.684 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001020144107 1314631188 /nfs/dbraw/zinc/63/11/88/1314631188.db2.gz QFRWQCIWWPEJKB-YHUYYLMFSA-N 1 3 343.462 2.531 20 0 EFADHO CCN(CC)C(=O)c1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246481060 1314635180 /nfs/dbraw/zinc/63/51/80/1314635180.db2.gz BHDFWSHRHQQFII-DFNIBXOVSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@@H]1CC(N[C@H](CN2CCOCC2)C(C)(C)C)C[C@@H](CC)[NH2+]1 ZINC001246486485 1314636123 /nfs/dbraw/zinc/63/61/23/1314636123.db2.gz BXPCIMAGHDUJDR-JFIYKMOQSA-N 1 3 325.541 2.632 20 0 EFADHO CC[C@@H]1C[C@@H](N[C@H](CN2CCOCC2)C(C)(C)C)C[C@H](CC)[NH2+]1 ZINC001246486494 1314636225 /nfs/dbraw/zinc/63/62/25/1314636225.db2.gz BXPCIMAGHDUJDR-XMTFNYHQSA-N 1 3 325.541 2.632 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4cc(F)cc(F)c4C3)CC2)NC1 ZINC001246492834 1314637298 /nfs/dbraw/zinc/63/72/98/1314637298.db2.gz CYGBJBSBXXTHKC-QGZVFWFLSA-N 1 3 345.437 2.864 20 0 EFADHO c1ccc(C[C@H]2C[C@@H](NC[C@@H]3Cc4ccccc4CN3)CC[NH2+]2)cc1 ZINC001246506406 1314639688 /nfs/dbraw/zinc/63/96/88/1314639688.db2.gz UEXCLGUBCXWFGU-FKBYEOEOSA-N 1 3 335.495 2.654 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001020172959 1314648521 /nfs/dbraw/zinc/64/85/21/1314648521.db2.gz LHFPKYBJGMMCFK-DRXUAVOGSA-N 1 3 349.906 2.978 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001020172959 1314648528 /nfs/dbraw/zinc/64/85/28/1314648528.db2.gz LHFPKYBJGMMCFK-DRXUAVOGSA-N 1 3 349.906 2.978 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001020174642 1314650075 /nfs/dbraw/zinc/65/00/75/1314650075.db2.gz KKWXWAGNLDLNHN-LSTDLKDCSA-N 1 3 347.478 2.601 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001020174642 1314650080 /nfs/dbraw/zinc/65/00/80/1314650080.db2.gz KKWXWAGNLDLNHN-LSTDLKDCSA-N 1 3 347.478 2.601 20 0 EFADHO NC[C@H]1CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579182 1314650903 /nfs/dbraw/zinc/65/09/03/1314650903.db2.gz BABSDIAWNAYOQV-IEBWSBKVSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@H]1CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579182 1314650906 /nfs/dbraw/zinc/65/09/06/1314650906.db2.gz BABSDIAWNAYOQV-IEBWSBKVSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581456 1314650915 /nfs/dbraw/zinc/65/09/15/1314650915.db2.gz KSRZWZVBOTUFGO-RBUKOAKNSA-N 1 3 329.488 2.629 20 0 EFADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581456 1314650919 /nfs/dbraw/zinc/65/09/19/1314650919.db2.gz KSRZWZVBOTUFGO-RBUKOAKNSA-N 1 3 329.488 2.629 20 0 EFADHO N[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@H]1F ZINC001246583618 1314651886 /nfs/dbraw/zinc/65/18/86/1314651886.db2.gz HXYXHSQTEYDYQO-LCWAXJCOSA-N 1 3 331.479 2.943 20 0 EFADHO N[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC[C@H]1F ZINC001246583618 1314651891 /nfs/dbraw/zinc/65/18/91/1314651891.db2.gz HXYXHSQTEYDYQO-LCWAXJCOSA-N 1 3 331.479 2.943 20 0 EFADHO Brc1cccc2c1C[C@H](N1CC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246618614 1314657832 /nfs/dbraw/zinc/65/78/32/1314657832.db2.gz IAJZWGFSVACGLB-JJRVBVJISA-N 1 3 335.289 2.990 20 0 EFADHO CCOC(=O)[C@H]1CC2(CN1[C@@H](C)Cc1ccc(C)cc1)CC[NH2+]CC2 ZINC001246604601 1314656444 /nfs/dbraw/zinc/65/64/44/1314656444.db2.gz ROZPKXXKTWUALR-PKOBYXMFSA-N 1 3 344.499 2.933 20 0 EFADHO Brc1cccc2c1C[C@H]([N@@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618614 1314657834 /nfs/dbraw/zinc/65/78/34/1314657834.db2.gz IAJZWGFSVACGLB-JJRVBVJISA-N 1 3 335.289 2.990 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([N@@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246609924 1314656859 /nfs/dbraw/zinc/65/68/59/1314656859.db2.gz KMCXMCXQDNNNCL-NSPNGIHDSA-N 1 3 334.504 2.964 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([N@H+]1CCC[C@]3(CCCNC3)C1)CC2 ZINC001246609924 1314656865 /nfs/dbraw/zinc/65/68/65/1314656865.db2.gz KMCXMCXQDNNNCL-NSPNGIHDSA-N 1 3 334.504 2.964 20 0 EFADHO Brc1cccc2c1C[C@H]([N@H+]1CC[C@H]3CNCC[C@H]31)CC2 ZINC001246618614 1314657836 /nfs/dbraw/zinc/65/78/36/1314657836.db2.gz IAJZWGFSVACGLB-JJRVBVJISA-N 1 3 335.289 2.990 20 0 EFADHO CC(C)CCC[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246655248 1314665086 /nfs/dbraw/zinc/66/50/86/1314665086.db2.gz GYHMJLHZTWMURO-QGZVFWFLSA-N 1 3 336.524 2.675 20 0 EFADHO CC(C)=CCC[C@@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668884 1314667323 /nfs/dbraw/zinc/66/73/23/1314667323.db2.gz PHRFDWNPEYBETN-QGZVFWFLSA-N 1 3 334.508 2.595 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CCN1 ZINC001246684308 1314671074 /nfs/dbraw/zinc/67/10/74/1314671074.db2.gz DHXNLXRYSIBITF-RDJZCZTQSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC[NH2+]1 ZINC001246684308 1314671077 /nfs/dbraw/zinc/67/10/77/1314671077.db2.gz DHXNLXRYSIBITF-RDJZCZTQSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CCN1 ZINC001246715859 1314674309 /nfs/dbraw/zinc/67/43/09/1314674309.db2.gz DERXOJHHAVFCCK-IEBWSBKVSA-N 1 3 341.499 2.755 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CC[NH2+]1 ZINC001246715859 1314674312 /nfs/dbraw/zinc/67/43/12/1314674312.db2.gz DERXOJHHAVFCCK-IEBWSBKVSA-N 1 3 341.499 2.755 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN(C1CC[NH2+]CC1)CC2 ZINC001246721185 1314675293 /nfs/dbraw/zinc/67/52/93/1314675293.db2.gz KGTKGHPPZXVRSU-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720287 1314675820 /nfs/dbraw/zinc/67/58/20/1314675820.db2.gz NFAZVGITGJSHEM-RDJZCZTQSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)CCN1 ZINC001246720287 1314675824 /nfs/dbraw/zinc/67/58/24/1314675824.db2.gz NFAZVGITGJSHEM-RDJZCZTQSA-N 1 3 347.528 2.817 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@@H]4CCN[C@@H](C)C4)C3)C2=O)c1 ZINC001246730617 1314677010 /nfs/dbraw/zinc/67/70/10/1314677010.db2.gz UNBQEZNQHWJDMK-FBBABVLZSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@@H]4CCN[C@@H](C)C4)C3)C2=O)c1 ZINC001246730617 1314677012 /nfs/dbraw/zinc/67/70/12/1314677012.db2.gz UNBQEZNQHWJDMK-FBBABVLZSA-N 1 3 341.499 2.560 20 0 EFADHO CC[C@@H]1C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246772775 1314679075 /nfs/dbraw/zinc/67/90/75/1314679075.db2.gz QEYNTJWVZBBIPT-AEFFLSMTSA-N 1 3 345.535 2.652 20 0 EFADHO C[C@@H]1CC(N2CCCn3cnc(CNC4CCCC4)c3C2)C[C@@H](C)[NH2+]1 ZINC001246766419 1314679176 /nfs/dbraw/zinc/67/91/76/1314679176.db2.gz AQSBRSQTZLCTTQ-HZPDHXFCSA-N 1 3 345.535 2.650 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4CC[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246781277 1314681089 /nfs/dbraw/zinc/68/10/89/1314681089.db2.gz RLVURTZIJQBDJZ-POAQFYNOSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781277 1314681094 /nfs/dbraw/zinc/68/10/94/1314681094.db2.gz RLVURTZIJQBDJZ-POAQFYNOSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+]([C@@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781277 1314681100 /nfs/dbraw/zinc/68/11/00/1314681100.db2.gz RLVURTZIJQBDJZ-POAQFYNOSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@@H]4CC[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246781282 1314681197 /nfs/dbraw/zinc/68/11/97/1314681197.db2.gz RLVURTZIJQBDJZ-YVWKXTFCSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781282 1314681201 /nfs/dbraw/zinc/68/12/01/1314681201.db2.gz RLVURTZIJQBDJZ-YVWKXTFCSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781282 1314681204 /nfs/dbraw/zinc/68/12/04/1314681204.db2.gz RLVURTZIJQBDJZ-YVWKXTFCSA-N 1 3 327.472 2.564 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@H]1C ZINC001246823092 1314690117 /nfs/dbraw/zinc/69/01/17/1314690117.db2.gz MYUDOTLRQJOSRG-JCHJZTRSSA-N 1 3 330.472 2.623 20 0 EFADHO c1ccc2c(c1)CCC[C@@H]2N1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873085 1314700005 /nfs/dbraw/zinc/70/00/05/1314700005.db2.gz DJFDAJDABSLVED-JTJHWIPRSA-N 1 3 325.500 2.965 20 0 EFADHO c1ccc2c(c1)CCC[C@H]2N1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873088 1314700322 /nfs/dbraw/zinc/70/03/22/1314700322.db2.gz DJFDAJDABSLVED-KXZRCVDZSA-N 1 3 325.500 2.965 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCN[C@@H](CC)C1 ZINC001246889069 1314703963 /nfs/dbraw/zinc/70/39/63/1314703963.db2.gz CSOOQLSPHDOSRC-GVDBMIGSSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246889069 1314703960 /nfs/dbraw/zinc/70/39/60/1314703960.db2.gz CSOOQLSPHDOSRC-GVDBMIGSSA-N 1 3 328.497 2.587 20 0 EFADHO CC(C)(C)c1ccc(N2CC[NH+]([C@@H]3CCOC4(CNC4)C3)CC2)cc1 ZINC001246891128 1314704026 /nfs/dbraw/zinc/70/40/26/1314704026.db2.gz MYCVQYOZMQXNTA-LJQANCHMSA-N 1 3 343.515 2.627 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001053097995 1314710914 /nfs/dbraw/zinc/71/09/14/1314710914.db2.gz JALSPBCREVSPCM-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001053097995 1314710918 /nfs/dbraw/zinc/71/09/18/1314710918.db2.gz JALSPBCREVSPCM-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098102 1314711768 /nfs/dbraw/zinc/71/17/68/1314711768.db2.gz KHXYPLMOMHQDAL-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098102 1314711771 /nfs/dbraw/zinc/71/17/71/1314711771.db2.gz KHXYPLMOMHQDAL-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCOCC[N@H+]([C@H](CC)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001246951643 1314714196 /nfs/dbraw/zinc/71/41/96/1314714196.db2.gz VTUVVOVLYMFPAS-QGZVFWFLSA-N 1 3 348.487 2.827 20 0 EFADHO CCOCC[N@@H+]([C@H](CC)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001246951643 1314714200 /nfs/dbraw/zinc/71/42/00/1314714200.db2.gz VTUVVOVLYMFPAS-QGZVFWFLSA-N 1 3 348.487 2.827 20 0 EFADHO CCOCCN([C@H](CC)Cc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC001246951643 1314714204 /nfs/dbraw/zinc/71/42/04/1314714204.db2.gz VTUVVOVLYMFPAS-QGZVFWFLSA-N 1 3 348.487 2.827 20 0 EFADHO Nc1ccncc1CN[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2 ZINC001276713123 1314718097 /nfs/dbraw/zinc/71/80/97/1314718097.db2.gz HUCKRIGGLZGOCL-RBUKOAKNSA-N 1 3 325.460 2.547 20 0 EFADHO Cc1cc(F)ccc1[C@@H]1C[C@@H](N2CCNC[C@H]2C(F)(F)F)CC[NH2+]1 ZINC001246985218 1314723688 /nfs/dbraw/zinc/72/36/88/1314723688.db2.gz AYLFSWBIZACTSN-BPUTZDHNSA-N 1 3 345.384 2.763 20 0 EFADHO C[C@@H]1C[C@@H](N2CCNC[C@@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001246992385 1314726340 /nfs/dbraw/zinc/72/63/40/1314726340.db2.gz QUDHMHIXGXOGEB-HYVNUMGLSA-N 1 3 341.421 2.876 20 0 EFADHO C[C@@H]1C[C@@H](N2CCNC[C@@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246992385 1314726343 /nfs/dbraw/zinc/72/63/43/1314726343.db2.gz QUDHMHIXGXOGEB-HYVNUMGLSA-N 1 3 341.421 2.876 20 0 EFADHO COC(=O)[C@H]1CCN([C@H]2CC[NH2+][C@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001247000473 1314728155 /nfs/dbraw/zinc/72/81/55/1314728155.db2.gz NCZSIBBZIBWBLS-VJANTYMQSA-N 1 3 330.472 2.999 20 0 EFADHO CC1(C)NC[C@@H](c2nc3cc(F)ccc3n2CC2CC[NH2+]CC2)O1 ZINC001247034722 1314733399 /nfs/dbraw/zinc/73/33/99/1314733399.db2.gz MGQBFWXEOKXICS-INIZCTEOSA-N 1 3 332.423 2.572 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1)N(C)C ZINC001214952718 1314762188 /nfs/dbraw/zinc/76/21/88/1314762188.db2.gz JCCHURAWAOQBPY-IVKRUHEYSA-N 1 3 343.515 2.867 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001214990333 1314766166 /nfs/dbraw/zinc/76/61/66/1314766166.db2.gz KWPGPNNQOZQKDC-IEBWSBKVSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001214997685 1314767323 /nfs/dbraw/zinc/76/73/23/1314767323.db2.gz LRCVIEICFDRFLX-RBSFLKMASA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)N(C)CC)C[C@H]2C)cc1 ZINC001214996881 1314767582 /nfs/dbraw/zinc/76/75/82/1314767582.db2.gz DXBBXXSWZXLHMP-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000401525032 1314810680 /nfs/dbraw/zinc/81/06/80/1314810680.db2.gz SUHOXUIEFGBUGM-XHSDSOJGSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000401525032 1314810683 /nfs/dbraw/zinc/81/06/83/1314810683.db2.gz SUHOXUIEFGBUGM-XHSDSOJGSA-N 1 3 337.508 2.991 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246239 1314816888 /nfs/dbraw/zinc/81/68/88/1314816888.db2.gz CBXBJKXDLYWIPD-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246239 1314816890 /nfs/dbraw/zinc/81/68/90/1314816890.db2.gz CBXBJKXDLYWIPD-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401849880 1314829448 /nfs/dbraw/zinc/82/94/48/1314829448.db2.gz CJPCTLYEWGAMJA-LJQANCHMSA-N 1 3 345.487 2.862 20 0 EFADHO C[C@H](N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)c1ccccc1F ZINC001215413747 1314831634 /nfs/dbraw/zinc/83/16/34/1314831634.db2.gz KYVBPKIOACZZRN-RVKKMQEKSA-N 1 3 347.478 2.665 20 0 EFADHO C[C@@H](N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)c1ccccc1F ZINC001215423603 1314833488 /nfs/dbraw/zinc/83/34/88/1314833488.db2.gz QDXZBTFPSNRAHO-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461162 1314838830 /nfs/dbraw/zinc/83/88/30/1314838830.db2.gz ULPINHNUQHXTNM-RHSMWYFYSA-N 1 3 337.895 2.537 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001215536606 1314846575 /nfs/dbraw/zinc/84/65/75/1314846575.db2.gz UZAFLMLRQMMUGP-RBSFLKMASA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/c2ccccc2)C1)N(C)C ZINC001215571290 1314852175 /nfs/dbraw/zinc/85/21/75/1314852175.db2.gz JCCHURAWAOQBPY-DVYSHSOCSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCCCCF ZINC001215569296 1314852501 /nfs/dbraw/zinc/85/25/01/1314852501.db2.gz ZBLAFZHVKMGFFB-HZPDHXFCSA-N 1 3 329.504 2.541 20 0 EFADHO C[NH+]1CCC(CCN2CC3(CN(CCCC(F)(F)F)C3)C2)CC1 ZINC001276728145 1314872251 /nfs/dbraw/zinc/87/22/51/1314872251.db2.gz YYTIVEUINAHPQY-UHFFFAOYSA-N 1 3 333.442 2.678 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C)c1ccccc1 ZINC001215989979 1314898214 /nfs/dbraw/zinc/89/82/14/1314898214.db2.gz PVMCMYQHEGGFHH-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001215993669 1314898542 /nfs/dbraw/zinc/89/85/42/1314898542.db2.gz BDEJFGUTELMWKX-ZHALLVOQSA-N 1 3 331.504 2.834 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001215999252 1314898822 /nfs/dbraw/zinc/89/88/22/1314898822.db2.gz WXDZAKZYUJOOJA-OWCLPIDISA-N 1 3 345.478 2.590 20 0 EFADHO c1ccc([C@@H]2C[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001248283539 1314917662 /nfs/dbraw/zinc/91/76/62/1314917662.db2.gz JKMLDQQLRAEOSI-QAPCUYQASA-N 1 3 347.422 2.596 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038462561 1314948195 /nfs/dbraw/zinc/94/81/95/1314948195.db2.gz NAGXDGZYAINCCR-LJQANCHMSA-N 1 3 348.450 2.901 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038462561 1314948200 /nfs/dbraw/zinc/94/82/00/1314948200.db2.gz NAGXDGZYAINCCR-LJQANCHMSA-N 1 3 348.450 2.901 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C)cc1I ZINC001248760244 1314960780 /nfs/dbraw/zinc/96/07/80/1314960780.db2.gz JNRDDVXZDBCGCE-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C)cc1I ZINC001248760244 1314960784 /nfs/dbraw/zinc/96/07/84/1314960784.db2.gz JNRDDVXZDBCGCE-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001216514300 1314964705 /nfs/dbraw/zinc/96/47/05/1314964705.db2.gz DEYQLHFWJXYGEH-JTDSTZFVSA-N 1 3 347.503 2.535 20 0 EFADHO CC[NH+]1CCC(CC2CCN(Cc3cccc(=O)n3C)CC2)CC1 ZINC001248809282 1314972172 /nfs/dbraw/zinc/97/21/72/1314972172.db2.gz QPXHFPFXSJSWKP-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(F)c4cc[nH]c43)CC2)CC1 ZINC001248818353 1314974036 /nfs/dbraw/zinc/97/40/36/1314974036.db2.gz INWYZHPIDMBNIR-UHFFFAOYSA-N 1 3 344.478 2.766 20 0 EFADHO C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001216838662 1315013992 /nfs/dbraw/zinc/01/39/92/1315013992.db2.gz ABKVHWQQUCWECG-ZIAGYGMSSA-N 1 3 348.318 2.618 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842786 1315014222 /nfs/dbraw/zinc/01/42/22/1315014222.db2.gz LKNYKYYKMFGDQQ-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216843007 1315014261 /nfs/dbraw/zinc/01/42/61/1315014261.db2.gz RMNMBRMUDXPALR-IIDMSEBBSA-N 1 3 335.467 2.546 20 0 EFADHO Cc1ccc(CCC[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001216851611 1315015646 /nfs/dbraw/zinc/01/56/46/1315015646.db2.gz CDZJYAPUTPNCOF-UYAOXDASSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001216853956 1315015672 /nfs/dbraw/zinc/01/56/72/1315015672.db2.gz PEROLGCGTSYVBL-RVKKMQEKSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001216852274 1315015787 /nfs/dbraw/zinc/01/57/87/1315015787.db2.gz TWSNTIBMMCMMHE-NIKGAXFTSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001216852344 1315016062 /nfs/dbraw/zinc/01/60/62/1315016062.db2.gz VEJYOUYSZFXSLL-UYAOXDASSA-N 1 3 345.531 2.786 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)c1 ZINC001216851676 1315016153 /nfs/dbraw/zinc/01/61/53/1315016153.db2.gz FWKDXQDERYPBHQ-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO [NH3+]CCCCCCCCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001249084184 1315017516 /nfs/dbraw/zinc/01/75/16/1315017516.db2.gz MPSHUVNQHRAVNO-UHFFFAOYSA-N 1 3 329.448 2.619 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625479 1315049827 /nfs/dbraw/zinc/04/98/27/1315049827.db2.gz VTVILAKZJYXMPN-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625479 1315049831 /nfs/dbraw/zinc/04/98/31/1315049831.db2.gz VTVILAKZJYXMPN-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO Clc1cncc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276754183 1315056729 /nfs/dbraw/zinc/05/67/29/1315056729.db2.gz GUVPVQPYPLTUSU-UHFFFAOYSA-N 1 3 345.878 2.946 20 0 EFADHO Clc1cncc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276754183 1315056731 /nfs/dbraw/zinc/05/67/31/1315056731.db2.gz GUVPVQPYPLTUSU-UHFFFAOYSA-N 1 3 345.878 2.946 20 0 EFADHO C[NH+](C)CCc1ccc(NC2=CC[C@H](N3CCOCC3)CC2)cc1 ZINC001249567830 1315099392 /nfs/dbraw/zinc/09/93/92/1315099392.db2.gz OOTQPFHGFFSVNH-FQEVSTJZSA-N 1 3 329.488 2.971 20 0 EFADHO CC(C)COc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217756967 1315110883 /nfs/dbraw/zinc/11/08/83/1315110883.db2.gz BZZGCGJJYNYUOQ-UHFFFAOYSA-N 1 3 344.459 2.861 20 0 EFADHO COc1ccc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276767878 1315137399 /nfs/dbraw/zinc/13/73/99/1315137399.db2.gz JFHLSYLKJFDJDY-UHFFFAOYSA-N 1 3 340.471 2.906 20 0 EFADHO COc1ccc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cn1 ZINC001276767878 1315137403 /nfs/dbraw/zinc/13/74/03/1315137403.db2.gz JFHLSYLKJFDJDY-UHFFFAOYSA-N 1 3 340.471 2.906 20 0 EFADHO F[C@H]1CNCC[C@H]1Oc1nc(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC001218067130 1315142507 /nfs/dbraw/zinc/14/25/07/1315142507.db2.gz RBCGAVDASCMQNQ-FUHWJXTLSA-N 1 3 344.434 2.553 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038782335 1315176004 /nfs/dbraw/zinc/17/60/04/1315176004.db2.gz SEZHBAPBIZRFCC-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038782335 1315176010 /nfs/dbraw/zinc/17/60/10/1315176010.db2.gz SEZHBAPBIZRFCC-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO Clc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276782902 1315184926 /nfs/dbraw/zinc/18/49/26/1315184926.db2.gz JPVJCCBWKXBRGU-UHFFFAOYSA-N 1 3 345.878 2.946 20 0 EFADHO Clc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001276782902 1315184928 /nfs/dbraw/zinc/18/49/28/1315184928.db2.gz JPVJCCBWKXBRGU-UHFFFAOYSA-N 1 3 345.878 2.946 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(Cl)nc3)(C1)CCC2 ZINC001276784173 1315190286 /nfs/dbraw/zinc/19/02/86/1315190286.db2.gz YKMKNCSNVKGQLT-ZWKOTPCHSA-N 1 3 336.911 2.821 20 0 EFADHO COc1c(C)ccc(F)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001250258168 1315190764 /nfs/dbraw/zinc/19/07/64/1315190764.db2.gz QPCBDHSTBPNTOR-UHFFFAOYSA-N 1 3 349.494 2.602 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001218540326 1315212191 /nfs/dbraw/zinc/21/21/91/1315212191.db2.gz WDMNSAYRHLCTBU-NSHDSACASA-N 1 3 332.370 2.535 20 0 EFADHO CN(C)c1ccncc1NC(=O)C[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC001218562892 1315215393 /nfs/dbraw/zinc/21/53/93/1315215393.db2.gz GAWQUQBJAANZSU-AWEZNQCLSA-N 1 3 337.427 2.528 20 0 EFADHO CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001054046193 1315217310 /nfs/dbraw/zinc/21/73/10/1315217310.db2.gz FJTYSLXOSJMTRC-IBGZPJMESA-N 1 3 334.423 2.511 20 0 EFADHO CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2cncc2c1 ZINC001054046193 1315217318 /nfs/dbraw/zinc/21/73/18/1315217318.db2.gz FJTYSLXOSJMTRC-IBGZPJMESA-N 1 3 334.423 2.511 20 0 EFADHO CCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001054046193 1315217321 /nfs/dbraw/zinc/21/73/21/1315217321.db2.gz FJTYSLXOSJMTRC-IBGZPJMESA-N 1 3 334.423 2.511 20 0 EFADHO Cc1nc(Cl)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(Cl)n1 ZINC001218594648 1315220062 /nfs/dbraw/zinc/22/00/62/1315220062.db2.gz BDAHNJOOPGWOGN-JTQLQIEISA-N 1 3 348.278 2.526 20 0 EFADHO CCNc1ccnc(Cl)c1NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001218614242 1315222171 /nfs/dbraw/zinc/22/21/71/1315222171.db2.gz XUXNFOBLDSDRCX-LBPRGKRZSA-N 1 3 341.887 2.601 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cnc2cc(Cl)ccc2c1 ZINC001218649310 1315226169 /nfs/dbraw/zinc/22/61/69/1315226169.db2.gz WGTKNZNKAGHDDH-HNNXBMFYSA-N 1 3 334.851 2.886 20 0 EFADHO N[C@H](CC(=O)Nc1cncc(C[NH3+])c1)c1ccc(Cl)cc1Cl ZINC001218705496 1315233171 /nfs/dbraw/zinc/23/31/71/1315233171.db2.gz RIUAFOGJBZGGBS-CQSZACIVSA-N 1 3 339.226 2.876 20 0 EFADHO O=C(Nc1cc([C@H]2CCCN2)no1)c1ccccc1C1CC[NH2+]CC1 ZINC001218712041 1315233782 /nfs/dbraw/zinc/23/37/82/1315233782.db2.gz GMJDAGYBZDSCTF-MRXNPFEDSA-N 1 3 340.427 2.818 20 0 EFADHO [NH3+][C@@H](CSc1ccccc1)CC(=O)Nc1cc([C@@H]2CCCN2)no1 ZINC001218713545 1315233881 /nfs/dbraw/zinc/23/38/81/1315233881.db2.gz SJJQHRKJAUMWMW-OCCSQVGLSA-N 1 3 346.456 2.547 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)[C@](C)([NH3+])CC(C)C)cc2)CC1 ZINC001218845840 1315249360 /nfs/dbraw/zinc/24/93/60/1315249360.db2.gz JZLZFKLZKZAYNQ-HXUWFJFHSA-N 1 3 346.519 2.526 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC001218848414 1315250275 /nfs/dbraw/zinc/25/02/75/1315250275.db2.gz XXNCPOYVGQZIRX-AWEZNQCLSA-N 1 3 340.452 2.968 20 0 EFADHO N[C@H](C(=O)Nc1ccccc1-c1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001218849783 1315250430 /nfs/dbraw/zinc/25/04/30/1315250430.db2.gz KLKPWNUZABRJCK-SFHVURJKSA-N 1 3 345.393 2.897 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001250763618 1315260666 /nfs/dbraw/zinc/26/06/66/1315260666.db2.gz MNGABCSDMBSFHJ-UYAOXDASSA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(CCN(C)C3)C2)cc1 ZINC001250763618 1315260670 /nfs/dbraw/zinc/26/06/70/1315260670.db2.gz MNGABCSDMBSFHJ-UYAOXDASSA-N 1 3 332.488 2.577 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001250762532 1315261087 /nfs/dbraw/zinc/26/10/87/1315261087.db2.gz JQPRXZYQFPHLNB-GOSISDBHSA-N 1 3 332.488 2.577 20 0 EFADHO COc1cc2c(cc1NC(=O)[C@@H](N)CCCC[NH3+])oc1ccccc12 ZINC001218964065 1315265680 /nfs/dbraw/zinc/26/56/80/1315265680.db2.gz OAVAMTKFVPINAZ-AWEZNQCLSA-N 1 3 341.411 2.989 20 0 EFADHO O=C(Nc1ccc2[nH]c(-c3ccccc3)cc2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218989145 1315268981 /nfs/dbraw/zinc/26/89/81/1315268981.db2.gz SARVLZFWMRTRRT-QGZVFWFLSA-N 1 3 346.434 2.582 20 0 EFADHO O=C(Nc1cccc2c1CNC2)[C@@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001218994691 1315270226 /nfs/dbraw/zinc/27/02/26/1315270226.db2.gz MSNSJXCRMCAGEW-LJQANCHMSA-N 1 3 349.434 2.579 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c(C)c1 ZINC001218996031 1315271232 /nfs/dbraw/zinc/27/12/32/1315271232.db2.gz VFPMDOFDLMXFEP-QUCCMNQESA-N 1 3 337.467 2.889 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)C1 ZINC001219128841 1315283664 /nfs/dbraw/zinc/28/36/64/1315283664.db2.gz IPAAAUBXMVXPJF-GUYCJALGSA-N 1 3 349.450 2.531 20 0 EFADHO CC(C)(C)[C@@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219129375 1315284001 /nfs/dbraw/zinc/28/40/01/1315284001.db2.gz LOYJSLMWMKHWGZ-INIZCTEOSA-N 1 3 337.439 2.516 20 0 EFADHO Cc1c(C)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c(C)c(C)c1N ZINC001219214964 1315291146 /nfs/dbraw/zinc/29/11/46/1315291146.db2.gz FSNHCHIZBMLWDW-INIZCTEOSA-N 1 3 334.508 2.937 20 0 EFADHO CC(=O)c1ccc(Oc2ccc(NC(=O)[C@H](N)CCC[NH3+])cc2)cc1 ZINC001219228040 1315293504 /nfs/dbraw/zinc/29/35/04/1315293504.db2.gz WSJDOKNIGJBCKI-GOSISDBHSA-N 1 3 341.411 2.686 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cccc2c1C(=O)CCC2 ZINC001219255593 1315295003 /nfs/dbraw/zinc/29/50/03/1315295003.db2.gz GODKQRNZIKQMEU-HNNXBMFYSA-N 1 3 331.460 2.640 20 0 EFADHO N[C@H](C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1)C1CCCCC1 ZINC001219301403 1315298308 /nfs/dbraw/zinc/29/83/08/1315298308.db2.gz UAUIIGCYTPGLSP-KRWDZBQOSA-N 1 3 349.450 2.803 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccccc1-c1nccs1 ZINC001219405228 1315310577 /nfs/dbraw/zinc/31/05/77/1315310577.db2.gz WJJPJFDMZPZNAT-AWEZNQCLSA-N 1 3 332.473 2.808 20 0 EFADHO CC[NH+](CC)CCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001219555569 1315322603 /nfs/dbraw/zinc/32/26/03/1315322603.db2.gz GUYZLKDOVZHYRB-CQSZACIVSA-N 1 3 331.382 2.553 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1c(F)cccc1Cl ZINC001219569530 1315324797 /nfs/dbraw/zinc/32/47/97/1315324797.db2.gz UWCSJDKDYDGZQZ-INIZCTEOSA-N 1 3 343.874 2.633 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC001219587109 1315327759 /nfs/dbraw/zinc/32/77/59/1315327759.db2.gz QZJRWRNNAMIHJD-NURSFMCSSA-N 1 3 330.259 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054129167 1315337740 /nfs/dbraw/zinc/33/77/40/1315337740.db2.gz LYVZWECLTZHOHI-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054129167 1315337744 /nfs/dbraw/zinc/33/77/44/1315337744.db2.gz LYVZWECLTZHOHI-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO N[C@H](CC(=O)NC[C@]1(F)CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC001219769265 1315343795 /nfs/dbraw/zinc/34/37/95/1315343795.db2.gz VKCNHRAOUHDPCU-DOMZBBRYSA-N 1 3 348.249 2.591 20 0 EFADHO O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001219779266 1315345752 /nfs/dbraw/zinc/34/57/52/1315345752.db2.gz BDTHQLUGEWQFCS-ROUUACIJSA-N 1 3 327.472 2.518 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CCC(c2ccccc2)CC1 ZINC001219950005 1315359030 /nfs/dbraw/zinc/35/90/30/1315359030.db2.gz DZAGXQGLSJYUNT-ACBHZAAOSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001219994187 1315364081 /nfs/dbraw/zinc/36/40/81/1315364081.db2.gz GHYYUHDSLDPSQL-MVJVIOSPSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001219994187 1315364083 /nfs/dbraw/zinc/36/40/83/1315364083.db2.gz GHYYUHDSLDPSQL-MVJVIOSPSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145121 1315364555 /nfs/dbraw/zinc/36/45/55/1315364555.db2.gz KZIXUQXNAIELLE-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145121 1315364557 /nfs/dbraw/zinc/36/45/57/1315364557.db2.gz KZIXUQXNAIELLE-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO [NH3+][C@@H](CC1CCCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001219999314 1315365224 /nfs/dbraw/zinc/36/52/24/1315365224.db2.gz PREKBQAHLJICHW-OALUTQOASA-N 1 3 329.488 2.847 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999314 1315365226 /nfs/dbraw/zinc/36/52/26/1315365226.db2.gz PREKBQAHLJICHW-OALUTQOASA-N 1 3 329.488 2.847 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145684 1315365511 /nfs/dbraw/zinc/36/55/11/1315365511.db2.gz WAACWEUYHRXXGU-UYAOXDASSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145684 1315365514 /nfs/dbraw/zinc/36/55/14/1315365514.db2.gz WAACWEUYHRXXGU-UYAOXDASSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145683 1315365761 /nfs/dbraw/zinc/36/57/61/1315365761.db2.gz WAACWEUYHRXXGU-QUCCMNQESA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001054145683 1315365765 /nfs/dbraw/zinc/36/57/65/1315365765.db2.gz WAACWEUYHRXXGU-QUCCMNQESA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145869 1315366031 /nfs/dbraw/zinc/36/60/31/1315366031.db2.gz ZBTBADOWSUBTNV-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145869 1315366034 /nfs/dbraw/zinc/36/60/34/1315366034.db2.gz ZBTBADOWSUBTNV-LPHOPBHVSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145893 1315366213 /nfs/dbraw/zinc/36/62/13/1315366213.db2.gz ZIRXTUOTFMPLFT-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145893 1315366217 /nfs/dbraw/zinc/36/62/17/1315366217.db2.gz ZIRXTUOTFMPLFT-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC001251706625 1315368433 /nfs/dbraw/zinc/36/84/33/1315368433.db2.gz NNOPIRDVCOBTBR-LJQANCHMSA-N 1 3 334.504 2.931 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC001251706625 1315368437 /nfs/dbraw/zinc/36/84/37/1315368437.db2.gz NNOPIRDVCOBTBR-LJQANCHMSA-N 1 3 334.504 2.931 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC001251706624 1315369242 /nfs/dbraw/zinc/36/92/42/1315369242.db2.gz NNOPIRDVCOBTBR-IBGZPJMESA-N 1 3 334.504 2.931 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC001251706624 1315369244 /nfs/dbraw/zinc/36/92/44/1315369244.db2.gz NNOPIRDVCOBTBR-IBGZPJMESA-N 1 3 334.504 2.931 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)CCCc1ccccc1 ZINC001220061720 1315369965 /nfs/dbraw/zinc/36/99/65/1315369965.db2.gz DDPPQRXSCUHDHK-HKUYNNGSSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](N)CCCc1ccccc1 ZINC001220061720 1315369969 /nfs/dbraw/zinc/36/99/69/1315369969.db2.gz DDPPQRXSCUHDHK-HKUYNNGSSA-N 1 3 331.504 2.717 20 0 EFADHO Cc1ccc2c(CCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c[nH]c2c1 ZINC001220076091 1315370196 /nfs/dbraw/zinc/37/01/96/1315370196.db2.gz XCVHQCMHFKHJIS-SFHVURJKSA-N 1 3 344.503 2.631 20 0 EFADHO N[C@@H](C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001220163807 1315377944 /nfs/dbraw/zinc/37/79/44/1315377944.db2.gz VMJRQFIGTDUWPO-PTLKDSMSSA-N 1 3 345.531 2.569 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054154391 1315379439 /nfs/dbraw/zinc/37/94/39/1315379439.db2.gz TYYINGPSQJMUNZ-ZBFHGGJFSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054154391 1315379441 /nfs/dbraw/zinc/37/94/41/1315379441.db2.gz TYYINGPSQJMUNZ-ZBFHGGJFSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054154437 1315379652 /nfs/dbraw/zinc/37/96/52/1315379652.db2.gz URFCWXHXOMKJFX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054154437 1315379659 /nfs/dbraw/zinc/37/96/59/1315379659.db2.gz URFCWXHXOMKJFX-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(CSC[C@H](N)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001220221018 1315386265 /nfs/dbraw/zinc/38/62/65/1315386265.db2.gz NZOXVYAQGFQLSQ-BZSNNMDCSA-N 1 3 349.544 2.545 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220254118 1315390562 /nfs/dbraw/zinc/39/05/62/1315390562.db2.gz JMIZXLOYRITFCT-LSDHHAIUSA-N 1 3 343.393 2.696 20 0 EFADHO C[N@H+]1CCC[C@H]1CCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220254118 1315390566 /nfs/dbraw/zinc/39/05/66/1315390566.db2.gz JMIZXLOYRITFCT-LSDHHAIUSA-N 1 3 343.393 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)c1 ZINC001039039152 1315412385 /nfs/dbraw/zinc/41/23/85/1315412385.db2.gz AORFURFYGNUXAH-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2CCC(C)(C)C)c1 ZINC001039039152 1315412388 /nfs/dbraw/zinc/41/23/88/1315412388.db2.gz AORFURFYGNUXAH-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1cccnc1Cl)C2 ZINC001276813735 1315415228 /nfs/dbraw/zinc/41/52/28/1315415228.db2.gz RZEQRKADBSPKJP-SFHVURJKSA-N 1 3 336.911 2.585 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039050442 1315423696 /nfs/dbraw/zinc/42/36/96/1315423696.db2.gz ORVYSUAPABYRDM-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001039050442 1315423700 /nfs/dbraw/zinc/42/37/00/1315423700.db2.gz ORVYSUAPABYRDM-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC001220569917 1315426419 /nfs/dbraw/zinc/42/64/19/1315426419.db2.gz UQEJPISKQVQVIW-GJZGRUSLSA-N 1 3 345.409 2.902 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196701 1315441118 /nfs/dbraw/zinc/44/11/18/1315441118.db2.gz KVBKYVQZLGIOQE-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196701 1315441123 /nfs/dbraw/zinc/44/11/23/1315441123.db2.gz KVBKYVQZLGIOQE-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC001252386659 1315443740 /nfs/dbraw/zinc/44/37/40/1315443740.db2.gz PJECODPLYPKTLE-GOSISDBHSA-N 1 3 340.467 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198510 1315443847 /nfs/dbraw/zinc/44/38/47/1315443847.db2.gz YVDDEXAVYHNCLP-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198510 1315443851 /nfs/dbraw/zinc/44/38/51/1315443851.db2.gz YVDDEXAVYHNCLP-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054198212 1315444179 /nfs/dbraw/zinc/44/41/79/1315444179.db2.gz SHPVDFMLDZRAFL-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054198212 1315444181 /nfs/dbraw/zinc/44/41/81/1315444181.db2.gz SHPVDFMLDZRAFL-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054198278 1315444228 /nfs/dbraw/zinc/44/42/28/1315444228.db2.gz UKVOSTRYQWAUMU-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054198278 1315444230 /nfs/dbraw/zinc/44/42/30/1315444230.db2.gz UKVOSTRYQWAUMU-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054198276 1315444621 /nfs/dbraw/zinc/44/46/21/1315444621.db2.gz UKVOSTRYQWAUMU-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054198276 1315444625 /nfs/dbraw/zinc/44/46/25/1315444625.db2.gz UKVOSTRYQWAUMU-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+]1CCC[C@H](NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252394284 1315444968 /nfs/dbraw/zinc/44/49/68/1315444968.db2.gz MOZOKMLKIISOII-ROUUACIJSA-N 1 3 328.456 2.653 20 0 EFADHO C[N@H+]1CCC[C@H](NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252394284 1315444971 /nfs/dbraw/zinc/44/49/71/1315444971.db2.gz MOZOKMLKIISOII-ROUUACIJSA-N 1 3 328.456 2.653 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054199361 1315445546 /nfs/dbraw/zinc/44/55/46/1315445546.db2.gz URFCWXHXOMKJFX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001054199361 1315445548 /nfs/dbraw/zinc/44/55/48/1315445548.db2.gz URFCWXHXOMKJFX-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)cc1 ZINC001220779282 1315451012 /nfs/dbraw/zinc/45/10/12/1315451012.db2.gz QAIAAOQPFKRALI-UIFIKXQLSA-N 1 3 343.515 2.774 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001054205849 1315454770 /nfs/dbraw/zinc/45/47/70/1315454770.db2.gz YQDDKTCFEWMDIC-HXUWFJFHSA-N 1 3 344.503 2.703 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001054205849 1315454774 /nfs/dbraw/zinc/45/47/74/1315454774.db2.gz YQDDKTCFEWMDIC-HXUWFJFHSA-N 1 3 344.503 2.703 20 0 EFADHO CCCCC[C@H]([NH2+]C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926640 1315464266 /nfs/dbraw/zinc/46/42/66/1315464266.db2.gz ULRPSYSUMFVHOC-IBGZPJMESA-N 1 3 346.519 2.578 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221035256 1315474506 /nfs/dbraw/zinc/47/45/06/1315474506.db2.gz YGSBFQHSCNDQGL-OALUTQOASA-N 1 3 347.478 2.890 20 0 EFADHO [NH3+][C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)C1CCCCC1 ZINC001221063248 1315479183 /nfs/dbraw/zinc/47/91/83/1315479183.db2.gz PZLWUSBNTKGPHK-OALUTQOASA-N 1 3 329.488 2.675 20 0 EFADHO CCOc1ccc([C@@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001221084660 1315479717 /nfs/dbraw/zinc/47/97/17/1315479717.db2.gz NGRMYJYWDQIABV-QAPCUYQASA-N 1 3 335.492 2.758 20 0 EFADHO O=C(NCC1(CC2CCC2)CC[NH2+]CC1)c1ccc2c(c1)CNC2 ZINC001221134518 1315487087 /nfs/dbraw/zinc/48/70/87/1315487087.db2.gz ZSDNRXBOCSCETN-UHFFFAOYSA-N 1 3 327.472 2.580 20 0 EFADHO CC(C)OC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252695308 1315488894 /nfs/dbraw/zinc/48/88/94/1315488894.db2.gz CXHGCDOYSDILPZ-HAGHYFMRSA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)OC[C@@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252695308 1315488895 /nfs/dbraw/zinc/48/88/95/1315488895.db2.gz CXHGCDOYSDILPZ-HAGHYFMRSA-N 1 3 332.488 2.558 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252765143 1315503426 /nfs/dbraw/zinc/50/34/26/1315503426.db2.gz OSLUHYZEMOVLQT-QZTJIDSGSA-N 1 3 334.504 2.798 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221295811 1315505397 /nfs/dbraw/zinc/50/53/97/1315505397.db2.gz RFRUHCTYMMNAKP-LPHOPBHVSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221295811 1315505401 /nfs/dbraw/zinc/50/54/01/1315505401.db2.gz RFRUHCTYMMNAKP-LPHOPBHVSA-N 1 3 343.515 2.937 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243424 1315513373 /nfs/dbraw/zinc/51/33/73/1315513373.db2.gz HJRWIKBWTXKLOS-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1CN(C)C)C2 ZINC001054243424 1315513375 /nfs/dbraw/zinc/51/33/75/1315513375.db2.gz HJRWIKBWTXKLOS-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054244592 1315515207 /nfs/dbraw/zinc/51/52/07/1315515207.db2.gz HPJJQWHCEAEOSW-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054244592 1315515212 /nfs/dbraw/zinc/51/52/12/1315515212.db2.gz HPJJQWHCEAEOSW-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054245631 1315516063 /nfs/dbraw/zinc/51/60/63/1315516063.db2.gz XETSURJZFJAURP-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054245631 1315516066 /nfs/dbraw/zinc/51/60/66/1315516066.db2.gz XETSURJZFJAURP-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245698 1315517160 /nfs/dbraw/zinc/51/71/60/1315517160.db2.gz ZCJGQOHKQBHULZ-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1CC)C2 ZINC001054245698 1315517164 /nfs/dbraw/zinc/51/71/64/1315517164.db2.gz ZCJGQOHKQBHULZ-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC001252865540 1315518298 /nfs/dbraw/zinc/51/82/98/1315518298.db2.gz JPOJHDVIIJKVBB-FQEVSTJZSA-N 1 3 343.446 2.756 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134814 1315519210 /nfs/dbraw/zinc/51/92/10/1315519210.db2.gz VPRXDBXOHSFZNE-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC001039134814 1315519212 /nfs/dbraw/zinc/51/92/12/1315519212.db2.gz VPRXDBXOHSFZNE-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)N(C)C ZINC001054297986 1315535788 /nfs/dbraw/zinc/53/57/88/1315535788.db2.gz KXLZGTWAVZIMGB-ARFHVFGLSA-N 1 3 345.478 2.589 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC001253007879 1315550665 /nfs/dbraw/zinc/55/06/65/1315550665.db2.gz VLDBDASCZNJCSM-HKUYNNGSSA-N 1 3 328.541 2.996 20 0 EFADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159595 1315555831 /nfs/dbraw/zinc/55/58/31/1315555831.db2.gz RYHXRNJVISSLLE-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159595 1315555834 /nfs/dbraw/zinc/55/58/34/1315555834.db2.gz RYHXRNJVISSLLE-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656960 1315572296 /nfs/dbraw/zinc/57/22/96/1315572296.db2.gz CCJZZTZHSLODHZ-ZWHYWQQASA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N(C)CC)[C@@H]2C1 ZINC001221656960 1315572299 /nfs/dbraw/zinc/57/22/99/1315572299.db2.gz CCJZZTZHSLODHZ-ZWHYWQQASA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001054736187 1315573013 /nfs/dbraw/zinc/57/30/13/1315573013.db2.gz JJDHWUCARGKJIE-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001054736082 1315573089 /nfs/dbraw/zinc/57/30/89/1315573089.db2.gz LAKVNRWEEVKJMW-CRAIPNDOSA-N 1 3 347.478 2.555 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCCCc1ccc(Br)cc1 ZINC001253175574 1315576619 /nfs/dbraw/zinc/57/66/19/1315576619.db2.gz PVBUQOFJLOBZAG-INIZCTEOSA-N 1 3 343.309 2.674 20 0 EFADHO CCN(CC)C[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001253191604 1315578900 /nfs/dbraw/zinc/57/89/00/1315578900.db2.gz ASQBZMUAHHMZLV-SFHVURJKSA-N 1 3 340.458 2.922 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCOCC1 ZINC001253208694 1315580519 /nfs/dbraw/zinc/58/05/19/1315580519.db2.gz ANEWJWLSJWNKTO-MOPGFXCFSA-N 1 3 338.467 2.586 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039182177 1315589472 /nfs/dbraw/zinc/58/94/72/1315589472.db2.gz KIXKEVNOAOMPLK-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039182177 1315589474 /nfs/dbraw/zinc/58/94/74/1315589474.db2.gz KIXKEVNOAOMPLK-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[NH+]1CCC(NC[C@H](O)CCOCc2ccccc2)CC1 ZINC001253298423 1315591749 /nfs/dbraw/zinc/59/17/49/1315591749.db2.gz QOKYPTQPPMCNSY-HXUWFJFHSA-N 1 3 334.504 2.664 20 0 EFADHO COc1cccc(CC2(CNC[C@H](O)C[NH2+]C(C)(C)C)CCC2)c1 ZINC001253411306 1315601760 /nfs/dbraw/zinc/60/17/60/1315601760.db2.gz IECDJEQAJZESCM-KRWDZBQOSA-N 1 3 334.504 2.747 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCCF)C1)C1CCC1 ZINC001039211873 1315627154 /nfs/dbraw/zinc/62/71/54/1315627154.db2.gz CWAJIICRMUUMCM-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCCF)C1)C1CCC1 ZINC001039211873 1315627155 /nfs/dbraw/zinc/62/71/55/1315627155.db2.gz CWAJIICRMUUMCM-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212449 1315628305 /nfs/dbraw/zinc/62/83/05/1315628305.db2.gz GNDBFKZEOVVYCY-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039212449 1315628308 /nfs/dbraw/zinc/62/83/08/1315628308.db2.gz GNDBFKZEOVVYCY-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001253761960 1315636391 /nfs/dbraw/zinc/63/63/91/1315636391.db2.gz NQRCONNWLLMTLG-LJQANCHMSA-N 1 3 331.504 2.775 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000107171 1315642707 /nfs/dbraw/zinc/64/27/07/1315642707.db2.gz XAOTXURNOBORAB-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(C)cc2)CC1 ZINC001253831380 1315643988 /nfs/dbraw/zinc/64/39/88/1315643988.db2.gz FWLWWEISUDZCQZ-IBGZPJMESA-N 1 3 334.504 2.931 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(C)cc2)CC1 ZINC001253831380 1315643991 /nfs/dbraw/zinc/64/39/91/1315643991.db2.gz FWLWWEISUDZCQZ-IBGZPJMESA-N 1 3 334.504 2.931 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001000192796 1315648089 /nfs/dbraw/zinc/64/80/89/1315648089.db2.gz NHOLZSZTWAPKKI-RDJZCZTQSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](NCc2ccccc2Cl)C1 ZINC001000192796 1315648093 /nfs/dbraw/zinc/64/80/93/1315648093.db2.gz NHOLZSZTWAPKKI-RDJZCZTQSA-N 1 3 349.906 2.905 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001039234106 1315657446 /nfs/dbraw/zinc/65/74/46/1315657446.db2.gz OUFMKYIGYCKHNQ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001039234106 1315657450 /nfs/dbraw/zinc/65/74/50/1315657450.db2.gz OUFMKYIGYCKHNQ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@H+](Cc1cccnc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038243 1315667478 /nfs/dbraw/zinc/66/74/78/1315667478.db2.gz ASKCJUJZGVVQGM-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO CC[N@@H+](Cc1cccnc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038243 1315667479 /nfs/dbraw/zinc/66/74/79/1315667479.db2.gz ASKCJUJZGVVQGM-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO COc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)ncc1C ZINC001254033906 1315667558 /nfs/dbraw/zinc/66/75/58/1315667558.db2.gz AILFSJZBHJAXJB-UHFFFAOYSA-N 1 3 341.455 2.838 20 0 EFADHO OC1(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254034772 1315667941 /nfs/dbraw/zinc/66/79/41/1315667941.db2.gz HVLQVXBZTLZHLS-SJORKVTESA-N 1 3 336.426 2.601 20 0 EFADHO OC1(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254034772 1315667945 /nfs/dbraw/zinc/66/79/45/1315667945.db2.gz HVLQVXBZTLZHLS-SJORKVTESA-N 1 3 336.426 2.601 20 0 EFADHO OC1(C[N@@H+]2CCC[C@@H](C(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038856 1315668264 /nfs/dbraw/zinc/66/82/64/1315668264.db2.gz QRJOGCZNMWVGCD-QGZVFWFLSA-N 1 3 338.442 2.991 20 0 EFADHO OC1(C[N@H+]2CCC[C@@H](C(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038856 1315668269 /nfs/dbraw/zinc/66/82/69/1315668269.db2.gz QRJOGCZNMWVGCD-QGZVFWFLSA-N 1 3 338.442 2.991 20 0 EFADHO CCCC[N@H+](C)CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254227992 1315684882 /nfs/dbraw/zinc/68/48/82/1315684882.db2.gz JGFUFKSTNQAUCZ-HNNXBMFYSA-N 1 3 341.496 2.624 20 0 EFADHO CCCC[N@@H+](C)CCCN[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001254227992 1315684885 /nfs/dbraw/zinc/68/48/85/1315684885.db2.gz JGFUFKSTNQAUCZ-HNNXBMFYSA-N 1 3 341.496 2.624 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2CCC[N@H+](C)CC2)Cc2ccccc2C1 ZINC001254500078 1315710011 /nfs/dbraw/zinc/71/00/11/1315710011.db2.gz DFXJXXBEOSWMQG-GOSISDBHSA-N 1 3 330.472 2.551 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2CCC[N@@H+](C)CC2)Cc2ccccc2C1 ZINC001254500078 1315710013 /nfs/dbraw/zinc/71/00/13/1315710013.db2.gz DFXJXXBEOSWMQG-GOSISDBHSA-N 1 3 330.472 2.551 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515713 1315712549 /nfs/dbraw/zinc/71/25/49/1315712549.db2.gz BGIZVYWFSVGNQM-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515713 1315712552 /nfs/dbraw/zinc/71/25/52/1315712552.db2.gz BGIZVYWFSVGNQM-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001254523767 1315717211 /nfs/dbraw/zinc/71/72/11/1315717211.db2.gz RHCXIPZDZFTVKP-HNNXBMFYSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001254523767 1315717214 /nfs/dbraw/zinc/71/72/14/1315717214.db2.gz RHCXIPZDZFTVKP-HNNXBMFYSA-N 1 3 325.497 2.850 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254532957 1315720958 /nfs/dbraw/zinc/72/09/58/1315720958.db2.gz YRSLKEHXDPMMHZ-LJQANCHMSA-N 1 3 329.488 2.707 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254532957 1315720960 /nfs/dbraw/zinc/72/09/60/1315720960.db2.gz YRSLKEHXDPMMHZ-LJQANCHMSA-N 1 3 329.488 2.707 20 0 EFADHO COCCC1([NH3+])CCN(C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620477 1315732125 /nfs/dbraw/zinc/73/21/25/1315732125.db2.gz QQUUNXQMAXLODW-UHFFFAOYSA-N 1 3 335.467 2.624 20 0 EFADHO CCCN(CCC[NH3+])[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682451 1315740337 /nfs/dbraw/zinc/74/03/37/1315740337.db2.gz LQRLUKKVXNHRLJ-CQSZACIVSA-N 1 3 343.537 2.542 20 0 EFADHO CCC[N@H+](CCCN)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682451 1315740341 /nfs/dbraw/zinc/74/03/41/1315740341.db2.gz LQRLUKKVXNHRLJ-CQSZACIVSA-N 1 3 343.537 2.542 20 0 EFADHO CCC[N@@H+](CCCN)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254682451 1315740344 /nfs/dbraw/zinc/74/03/44/1315740344.db2.gz LQRLUKKVXNHRLJ-CQSZACIVSA-N 1 3 343.537 2.542 20 0 EFADHO C[C@@H](CN)C[NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732553 1315742860 /nfs/dbraw/zinc/74/28/60/1315742860.db2.gz CYWDCOYZWCOKBW-GJZGRUSLSA-N 1 3 325.497 2.741 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157589 1315745703 /nfs/dbraw/zinc/74/57/03/1315745703.db2.gz IQSQNULRCJYSJK-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157589 1315745706 /nfs/dbraw/zinc/74/57/06/1315745706.db2.gz IQSQNULRCJYSJK-YTQUADARSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157804 1315745781 /nfs/dbraw/zinc/74/57/81/1315745781.db2.gz MECXWYACRWMXTC-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157804 1315745787 /nfs/dbraw/zinc/74/57/87/1315745787.db2.gz MECXWYACRWMXTC-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO c1ccc(CN2CCC[C@@H](C[NH2+][C@H]3CC4CCN(CC4)C3)C2)cc1 ZINC001254835403 1315747635 /nfs/dbraw/zinc/74/76/35/1315747635.db2.gz GQDJOZMJOTZXMD-SFTDATJTSA-N 1 3 327.516 2.973 20 0 EFADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254860410 1315750517 /nfs/dbraw/zinc/75/05/17/1315750517.db2.gz METHEERKYJMUSB-LEWJYISDSA-N 1 3 327.516 2.925 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254860410 1315750521 /nfs/dbraw/zinc/75/05/21/1315750521.db2.gz METHEERKYJMUSB-LEWJYISDSA-N 1 3 327.516 2.925 20 0 EFADHO C[C@@H](CN)C[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254873058 1315754112 /nfs/dbraw/zinc/75/41/12/1315754112.db2.gz FQHDOWPZNDVOCU-SYJJWHGVSA-N 1 3 325.497 2.741 20 0 EFADHO [NH3+]C1(Cc2ccc(F)cc2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254938835 1315761141 /nfs/dbraw/zinc/76/11/41/1315761141.db2.gz KKXQSUYXWYTGCA-VQFNDLOPSA-N 1 3 330.447 2.919 20 0 EFADHO COc1cccc(CC2([NH3+])CCN(C3C[C@@H]4CC(=O)C[C@H]4C3)CC2)c1 ZINC001254942583 1315762262 /nfs/dbraw/zinc/76/22/62/1315762262.db2.gz XKYASUYQEJGTSQ-IAGOWNOFSA-N 1 3 342.483 2.789 20 0 EFADHO CC(C)[N@H+](CCCN)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965155 1315766790 /nfs/dbraw/zinc/76/67/90/1315766790.db2.gz BRHXEWKTUMFYMA-JYJNAYRXSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965155 1315766791 /nfs/dbraw/zinc/76/67/91/1315766791.db2.gz BRHXEWKTUMFYMA-JYJNAYRXSA-N 1 3 325.497 2.834 20 0 EFADHO CC(C)([NH3+])C(C)(C)NC1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254998083 1315769597 /nfs/dbraw/zinc/76/95/97/1315769597.db2.gz OYBPNMAUPFUGTB-AYHJJNSGSA-N 1 3 331.504 2.524 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001413065360 1315773330 /nfs/dbraw/zinc/77/33/30/1315773330.db2.gz XXAASHUXMIPFHU-QRQLOZEOSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001413065360 1315773332 /nfs/dbraw/zinc/77/33/32/1315773332.db2.gz XXAASHUXMIPFHU-QRQLOZEOSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ncn([C@@H]2CCN(Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001255100534 1315773955 /nfs/dbraw/zinc/77/39/55/1315773955.db2.gz CPSRNCBEYZRTPF-QGZVFWFLSA-N 1 3 330.501 2.830 20 0 EFADHO Cc1ncn([C@H]2CCN(Cc3ccccc3)C2)c1CSCC[NH3+] ZINC001255100533 1315774332 /nfs/dbraw/zinc/77/43/32/1315774332.db2.gz CPSRNCBEYZRTPF-KRWDZBQOSA-N 1 3 330.501 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415500 1315776627 /nfs/dbraw/zinc/77/66/27/1315776627.db2.gz IEUIPTPBMAJIOB-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415500 1315776631 /nfs/dbraw/zinc/77/66/31/1315776631.db2.gz IEUIPTPBMAJIOB-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2)N(C)C ZINC001050563041 1315782589 /nfs/dbraw/zinc/78/25/89/1315782589.db2.gz HRQCTTSQBKUAAQ-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C2 ZINC001255182155 1315787881 /nfs/dbraw/zinc/78/78/81/1315787881.db2.gz CPQQVXAUFXCQGN-FJIDUMEYSA-N 1 3 337.508 2.992 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039437605 1315791363 /nfs/dbraw/zinc/79/13/63/1315791363.db2.gz QBELFMKDIVBWND-JTDSTZFVSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001039437605 1315791364 /nfs/dbraw/zinc/79/13/64/1315791364.db2.gz QBELFMKDIVBWND-JTDSTZFVSA-N 1 3 339.499 2.674 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(N(C)C3CC3)CC1)C2 ZINC001255213192 1315792636 /nfs/dbraw/zinc/79/26/36/1315792636.db2.gz DOWFITLDSJHEDZ-BCDXTJNWSA-N 1 3 335.492 2.697 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001050662722 1315793084 /nfs/dbraw/zinc/79/30/84/1315793084.db2.gz MSSHDMAMPSWLCP-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CCCCC2)CC3)C1 ZINC001050663567 1315794011 /nfs/dbraw/zinc/79/40/11/1315794011.db2.gz VHNCQBIKYQUXLP-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001050663605 1315794269 /nfs/dbraw/zinc/79/42/69/1315794269.db2.gz WADBUUVJDVHJEL-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CCOC(=O)C1CCC(N2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001255254458 1315796924 /nfs/dbraw/zinc/79/69/24/1315796924.db2.gz DJHGEVGLAXPCEP-UHFFFAOYSA-N 1 3 345.487 2.539 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001050681904 1315801166 /nfs/dbraw/zinc/80/11/66/1315801166.db2.gz UKSWMOQJYBZGLB-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CCCC[C@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255309238 1315802388 /nfs/dbraw/zinc/80/23/88/1315802388.db2.gz AMVMNYTUIYOLKF-PKOBYXMFSA-N 1 3 345.531 2.970 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](C3CCC(C)(C)CC3)CC[C@@H]21 ZINC001255307564 1315802643 /nfs/dbraw/zinc/80/26/43/1315802643.db2.gz PYCDSDXRCDCADO-NJAFHUGGSA-N 1 3 331.508 2.642 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](C3CCC(C)(C)CC3)CC[C@@H]21 ZINC001255307564 1315802647 /nfs/dbraw/zinc/80/26/47/1315802647.db2.gz PYCDSDXRCDCADO-NJAFHUGGSA-N 1 3 331.508 2.642 20 0 EFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001039469915 1315814123 /nfs/dbraw/zinc/81/41/23/1315814123.db2.gz MMRYOOHJPWSIPO-ZCNNSNEGSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001039469915 1315814125 /nfs/dbraw/zinc/81/41/25/1315814125.db2.gz MMRYOOHJPWSIPO-ZCNNSNEGSA-N 1 3 341.499 2.512 20 0 EFADHO COC(=O)C12CC(N[C@H]3CCC[N@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255382636 1315814977 /nfs/dbraw/zinc/81/49/77/1315814977.db2.gz DTVYSOQJRGOJEV-KKXNLOMOSA-N 1 3 328.456 2.726 20 0 EFADHO COC(=O)C12CC(N[C@H]3CCC[N@@H+](Cc4ccccc4)CC3)(C1)C2 ZINC001255382636 1315814980 /nfs/dbraw/zinc/81/49/80/1315814980.db2.gz DTVYSOQJRGOJEV-KKXNLOMOSA-N 1 3 328.456 2.726 20 0 EFADHO CN(C)C(=O)C1([NH2+][C@H]2CCCN(Cc3ccccc3)CC2)CCC1 ZINC001255398135 1315817120 /nfs/dbraw/zinc/81/71/20/1315817120.db2.gz RWSCZSCSQNNVON-SFHVURJKSA-N 1 3 329.488 2.642 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398629 1315818358 /nfs/dbraw/zinc/81/83/58/1315818358.db2.gz LKCHZHOTFOOGDS-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398629 1315818361 /nfs/dbraw/zinc/81/83/61/1315818361.db2.gz LKCHZHOTFOOGDS-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO O=C1NC2(CO1)CCN([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255407920 1315819246 /nfs/dbraw/zinc/81/92/46/1315819246.db2.gz GFEYMCRUFYIAHG-GOSISDBHSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC2(CO1)CCN([C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255407920 1315819248 /nfs/dbraw/zinc/81/92/48/1315819248.db2.gz GFEYMCRUFYIAHG-GOSISDBHSA-N 1 3 343.471 2.616 20 0 EFADHO CN1CCC[C@H](c2nnc([C@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421704 1315821891 /nfs/dbraw/zinc/82/18/91/1315821891.db2.gz RNKXDXWESKDBRN-IRXDYDNUSA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC[C@H](c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421704 1315821894 /nfs/dbraw/zinc/82/18/94/1315821894.db2.gz RNKXDXWESKDBRN-IRXDYDNUSA-N 1 3 326.444 2.868 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@H]2CC[N@@H+](C)C2)CC3)cs1 ZINC001255430322 1315822980 /nfs/dbraw/zinc/82/29/80/1315822980.db2.gz GUEYRAXVFNEDKJ-KRWDZBQOSA-N 1 3 334.533 2.586 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@H]2CC[N@H+](C)C2)CC3)cs1 ZINC001255430322 1315822982 /nfs/dbraw/zinc/82/29/82/1315822982.db2.gz GUEYRAXVFNEDKJ-KRWDZBQOSA-N 1 3 334.533 2.586 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CCC(OC)CC3)cc2)CC1 ZINC001255449490 1315824811 /nfs/dbraw/zinc/82/48/11/1315824811.db2.gz QXAGJLUKDGNWNY-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CN1CCC[C@@H](N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)C1 ZINC001255495912 1315832502 /nfs/dbraw/zinc/83/25/02/1315832502.db2.gz UUJGRZOMXHGOJE-OAHLLOKOSA-N 1 3 342.409 2.753 20 0 EFADHO CN1CCC[C@@H](N(c2cccc(C(F)(F)F)n2)C2CC[NH2+]CC2)C1 ZINC001255494239 1315832882 /nfs/dbraw/zinc/83/28/82/1315832882.db2.gz FIOSVIVZSVYASF-CQSZACIVSA-N 1 3 342.409 2.753 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593725 1315845114 /nfs/dbraw/zinc/84/51/14/1315845114.db2.gz NGPWVEPZBKQJJG-OWCLPIDISA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001255593725 1315845118 /nfs/dbraw/zinc/84/51/18/1315845118.db2.gz NGPWVEPZBKQJJG-OWCLPIDISA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001255678063 1315856829 /nfs/dbraw/zinc/85/68/29/1315856829.db2.gz ZXLRWSJABNDYHG-JKWVGCSGSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@@]2(CCC[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001255678063 1315856832 /nfs/dbraw/zinc/85/68/32/1315856832.db2.gz ZXLRWSJABNDYHG-JKWVGCSGSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001255678062 1315856868 /nfs/dbraw/zinc/85/68/68/1315856868.db2.gz ZXLRWSJABNDYHG-JGUMPVPUSA-N 1 3 349.563 2.825 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@H+](C3C[C@H]4CCC[C@@H](C3)N4C)C2)C1 ZINC001255678062 1315856870 /nfs/dbraw/zinc/85/68/70/1315856870.db2.gz ZXLRWSJABNDYHG-JGUMPVPUSA-N 1 3 349.563 2.825 20 0 EFADHO Cc1cc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001255682826 1315858046 /nfs/dbraw/zinc/85/80/46/1315858046.db2.gz NZIRCRYNLAURLF-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001255682826 1315858047 /nfs/dbraw/zinc/85/80/47/1315858047.db2.gz NZIRCRYNLAURLF-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255685027 1315858565 /nfs/dbraw/zinc/85/85/65/1315858565.db2.gz XKFIFOKCFQVOKV-BJCAYOAGSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1NC(=O)OC(C)(C)C ZINC001255685027 1315858567 /nfs/dbraw/zinc/85/85/67/1315858567.db2.gz XKFIFOKCFQVOKV-BJCAYOAGSA-N 1 3 337.508 2.847 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039583905 1315879331 /nfs/dbraw/zinc/87/93/31/1315879331.db2.gz AWMMAKDRLFRDNM-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039583905 1315879332 /nfs/dbraw/zinc/87/93/32/1315879332.db2.gz AWMMAKDRLFRDNM-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CC1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001255941609 1315882880 /nfs/dbraw/zinc/88/28/80/1315882880.db2.gz VBUZOZSYSHCKFE-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(N2CCOCC2)CCCCC1 ZINC001255944710 1315883348 /nfs/dbraw/zinc/88/33/48/1315883348.db2.gz YIVSZLOMCPSHPX-GOSISDBHSA-N 1 3 325.541 2.732 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001255945368 1315883487 /nfs/dbraw/zinc/88/34/87/1315883487.db2.gz DMVQXWMKDQDMAZ-WCXIOVBPSA-N 1 3 339.524 2.952 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001255948525 1315883519 /nfs/dbraw/zinc/88/35/19/1315883519.db2.gz MTYCLXXUMKHANP-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccncc2)CC1 ZINC001255951137 1315883742 /nfs/dbraw/zinc/88/37/42/1315883742.db2.gz GPIDMQCSWUIBRV-WDSOQIARSA-N 1 3 346.519 2.833 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCC2)CC1 ZINC001255952562 1315884207 /nfs/dbraw/zinc/88/42/07/1315884207.db2.gz FIPZYCLKJSBQJA-MRXNPFEDSA-N 1 3 338.540 2.813 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001255955966 1315884378 /nfs/dbraw/zinc/88/43/78/1315884378.db2.gz YFWTXBJFIZQMKM-RWBZWWBESA-N 1 3 325.497 2.896 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ncccc2OC)CCOCC1 ZINC001255954041 1315884900 /nfs/dbraw/zinc/88/49/00/1315884900.db2.gz RJLMUMSPORDKPN-QGZVFWFLSA-N 1 3 349.519 2.848 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961168 1315885910 /nfs/dbraw/zinc/88/59/10/1315885910.db2.gz VLENHNIWRYNWRM-PXNSSMCTSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961168 1315885912 /nfs/dbraw/zinc/88/59/12/1315885912.db2.gz VLENHNIWRYNWRM-PXNSSMCTSA-N 1 3 344.503 2.631 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961168 1315885913 /nfs/dbraw/zinc/88/59/13/1315885913.db2.gz VLENHNIWRYNWRM-PXNSSMCTSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001255961426 1315885933 /nfs/dbraw/zinc/88/59/33/1315885933.db2.gz MFYXAPVNKOKKAW-UZLBHIALSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001255961426 1315885934 /nfs/dbraw/zinc/88/59/34/1315885934.db2.gz MFYXAPVNKOKKAW-UZLBHIALSA-N 1 3 329.488 2.727 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001039621566 1315887135 /nfs/dbraw/zinc/88/71/35/1315887135.db2.gz ZWOHGYITVAFMKH-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC(C)C ZINC001039621566 1315887139 /nfs/dbraw/zinc/88/71/39/1315887139.db2.gz ZWOHGYITVAFMKH-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(c2ncccn2)CC1 ZINC001256061372 1315897766 /nfs/dbraw/zinc/89/77/66/1315897766.db2.gz MRTAKHOEFKIXEX-RBUKOAKNSA-N 1 3 343.519 2.784 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(c2ncccn2)CC1 ZINC001256061372 1315897768 /nfs/dbraw/zinc/89/77/68/1315897768.db2.gz MRTAKHOEFKIXEX-RBUKOAKNSA-N 1 3 343.519 2.784 20 0 EFADHO c1ccc(CN2C[C@@H]3C[NH+](C4CCN(C5CC5)CC4)C[C@H]3C2)cc1 ZINC001256078603 1315900850 /nfs/dbraw/zinc/90/08/50/1315900850.db2.gz AZLCSQSGENOUPH-RTBURBONSA-N 1 3 325.500 2.677 20 0 EFADHO CC(C)(C)OC(=O)NC[C@]1(C)CCN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256083158 1315902764 /nfs/dbraw/zinc/90/27/64/1315902764.db2.gz QPVUQDHNTPQNRQ-IBGZPJMESA-N 1 3 337.508 2.850 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@H]2CCC[C@H](c3ccccc3)C2)CCC1=O ZINC001256120720 1315906253 /nfs/dbraw/zinc/90/62/53/1315906253.db2.gz JJCOCSNIKCWXCP-PMACEKPBSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@H]2CCC[C@H](c3ccccc3)C2)CCC1=O ZINC001256120720 1315906256 /nfs/dbraw/zinc/90/62/56/1315906256.db2.gz JJCOCSNIKCWXCP-PMACEKPBSA-N 1 3 343.515 2.809 20 0 EFADHO COc1cccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001256153111 1315909731 /nfs/dbraw/zinc/90/97/31/1315909731.db2.gz UBYCQTUKZMOOIM-BHIYHBOVSA-N 1 3 332.488 2.859 20 0 EFADHO COc1cccc(C[C@H](C)[NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)c1 ZINC001256153112 1315909772 /nfs/dbraw/zinc/90/97/72/1315909772.db2.gz UBYCQTUKZMOOIM-WDSOQIARSA-N 1 3 332.488 2.859 20 0 EFADHO C[NH+]1CCC(N2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001256203291 1315917009 /nfs/dbraw/zinc/91/70/09/1315917009.db2.gz FTGJFQZGMBSZCB-UHFFFAOYSA-N 1 3 349.544 2.509 20 0 EFADHO CN1CCC([NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)CC1 ZINC001256203291 1315917012 /nfs/dbraw/zinc/91/70/12/1315917012.db2.gz FTGJFQZGMBSZCB-UHFFFAOYSA-N 1 3 349.544 2.509 20 0 EFADHO CCOC(=O)N1CCC(N[C@@H](CC[NH+](C)C)c2ccccc2)CC1 ZINC001256231430 1315921356 /nfs/dbraw/zinc/92/13/56/1315921356.db2.gz BAHSDDJFCZWKGU-SFHVURJKSA-N 1 3 333.476 2.890 20 0 EFADHO CCOC(=O)N1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC001256235750 1315921910 /nfs/dbraw/zinc/92/19/10/1315921910.db2.gz SGFJHAIRPZZVLW-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CCOC(=O)N1CCC([N@@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001256234808 1315922153 /nfs/dbraw/zinc/92/21/53/1315922153.db2.gz AYFPWCMJNGLQHZ-MRXNPFEDSA-N 1 3 333.476 2.704 20 0 EFADHO CCOC(=O)N1CCC([N@H+](Cc2ccccc2)C[C@H](C)CN)CC1 ZINC001256234808 1315922154 /nfs/dbraw/zinc/92/21/54/1315922154.db2.gz AYFPWCMJNGLQHZ-MRXNPFEDSA-N 1 3 333.476 2.704 20 0 EFADHO CCOC(=O)N1CCC(N(Cc2ccccc2)C[C@H](C)C[NH3+])CC1 ZINC001256234808 1315922155 /nfs/dbraw/zinc/92/21/55/1315922155.db2.gz AYFPWCMJNGLQHZ-MRXNPFEDSA-N 1 3 333.476 2.704 20 0 EFADHO C[C@H](Cc1ccccn1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001256397183 1315934942 /nfs/dbraw/zinc/93/49/42/1315934942.db2.gz FDFXUTYLVJSYHL-GOSISDBHSA-N 1 3 338.499 2.550 20 0 EFADHO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001256397015 1315935044 /nfs/dbraw/zinc/93/50/44/1315935044.db2.gz CDLOTXRLSXXUFL-SFHVURJKSA-N 1 3 338.499 2.550 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379003 1315940086 /nfs/dbraw/zinc/94/00/86/1315940086.db2.gz ZLFLDNCANLAPSC-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379003 1315940089 /nfs/dbraw/zinc/94/00/89/1315940089.db2.gz ZLFLDNCANLAPSC-IAGOWNOFSA-N 1 3 341.515 2.970 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001256523546 1315951377 /nfs/dbraw/zinc/95/13/77/1315951377.db2.gz PSJOAPHKTQHHFP-CIELIIMNSA-N 1 3 328.456 2.725 20 0 EFADHO COC(=O)C12CC(N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)(C1)C2 ZINC001256523546 1315951380 /nfs/dbraw/zinc/95/13/80/1315951380.db2.gz PSJOAPHKTQHHFP-CIELIIMNSA-N 1 3 328.456 2.725 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528221 1315952414 /nfs/dbraw/zinc/95/24/14/1315952414.db2.gz CMHXXZLGLYJORU-SJLPKXTDSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528221 1315952416 /nfs/dbraw/zinc/95/24/16/1315952416.db2.gz CMHXXZLGLYJORU-SJLPKXTDSA-N 1 3 337.458 2.970 20 0 EFADHO COCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553683 1315956924 /nfs/dbraw/zinc/95/69/24/1315956924.db2.gz JAMZJXCBJSVAJZ-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO COCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256553683 1315956926 /nfs/dbraw/zinc/95/69/26/1315956926.db2.gz JAMZJXCBJSVAJZ-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CNC(=O)O3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256555388 1315957731 /nfs/dbraw/zinc/95/77/31/1315957731.db2.gz UNIUHPDCXAUEFA-WMZOPIPTSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CNC(=O)O3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256555388 1315957734 /nfs/dbraw/zinc/95/77/34/1315957734.db2.gz UNIUHPDCXAUEFA-WMZOPIPTSA-N 1 3 343.471 2.614 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256559932 1315958442 /nfs/dbraw/zinc/95/84/42/1315958442.db2.gz OUBJWIRECIGXJC-UTKZUKDTSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256559932 1315958445 /nfs/dbraw/zinc/95/84/45/1315958445.db2.gz OUBJWIRECIGXJC-UTKZUKDTSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CCN1Cc1ccccc1 ZINC001256561298 1315959641 /nfs/dbraw/zinc/95/96/41/1315959641.db2.gz XCRVZQIIDDSXOO-AYWYSENESA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CCN1Cc1ccccc1 ZINC001256561298 1315959645 /nfs/dbraw/zinc/95/96/45/1315959645.db2.gz XCRVZQIIDDSXOO-AYWYSENESA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)C(=O)N1CCC[C@]12CC[N@@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256572766 1315961832 /nfs/dbraw/zinc/96/18/32/1315961832.db2.gz XNQZSZRHIGPXHS-HXUWFJFHSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C(=O)N1CCC[C@]12CC[N@H+](C1CCN(C(C)(C)C)CC1)C2 ZINC001256572766 1315961833 /nfs/dbraw/zinc/96/18/33/1315961833.db2.gz XNQZSZRHIGPXHS-HXUWFJFHSA-N 1 3 335.536 2.972 20 0 EFADHO c1cn(C2CCN(Cc3ccncc3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC001256594553 1315966481 /nfs/dbraw/zinc/96/64/81/1315966481.db2.gz XCYIOUQWARUKJY-QGZVFWFLSA-N 1 3 325.460 2.582 20 0 EFADHO F[C@H]1CN(C2CCN(Cc3ccncc3)CC2)CC[C@H]1[NH+]1CCCC1 ZINC001256595634 1315966823 /nfs/dbraw/zinc/96/68/23/1315966823.db2.gz JFJCWBNXNLZROP-VQTJNVASSA-N 1 3 346.494 2.554 20 0 EFADHO O=C1NCCC2(CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)O1 ZINC001256612080 1315968043 /nfs/dbraw/zinc/96/80/43/1315968043.db2.gz DKHUPRXHFVNZFW-UHFFFAOYSA-N 1 3 343.471 2.616 20 0 EFADHO COC(=O)C[C@@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256609964 1315968153 /nfs/dbraw/zinc/96/81/53/1315968153.db2.gz VSXUGZHUDGCIIQ-SFHVURJKSA-N 1 3 330.472 2.926 20 0 EFADHO C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001256629502 1315972152 /nfs/dbraw/zinc/97/21/52/1315972152.db2.gz IKXRSGOWPAFLMP-PMRDEQMMSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001256629502 1315972155 /nfs/dbraw/zinc/97/21/55/1315972155.db2.gz IKXRSGOWPAFLMP-PMRDEQMMSA-N 1 3 337.508 2.943 20 0 EFADHO COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001256642947 1315974568 /nfs/dbraw/zinc/97/45/68/1315974568.db2.gz XZOZUDYZHIKDEG-FHWLQOOXSA-N 1 3 344.499 2.786 20 0 EFADHO CN(CCC[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678889 1315980402 /nfs/dbraw/zinc/98/04/02/1315980402.db2.gz UJTNADZWLRCSMY-UHFFFAOYSA-N 1 3 331.504 2.746 20 0 EFADHO [NH3+]CCc1cn(C2CCC(N3CCOCC3)CC2)c2ccc(O)cc12 ZINC001256680164 1315980465 /nfs/dbraw/zinc/98/04/65/1315980465.db2.gz ZGZJHGDHDUJWET-UHFFFAOYSA-N 1 3 343.471 2.664 20 0 EFADHO OC[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(Cl)c1 ZINC001256683142 1315980893 /nfs/dbraw/zinc/98/08/93/1315980893.db2.gz SYVHWIHQVRDQBA-ABHNRTSZSA-N 1 3 338.879 2.606 20 0 EFADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(Cl)cc1 ZINC001256681754 1315980900 /nfs/dbraw/zinc/98/09/00/1315980900.db2.gz BFBVXYWPNFVJON-DAWZGUTISA-N 1 3 338.879 2.606 20 0 EFADHO Cc1noc2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc12 ZINC001256685007 1315981752 /nfs/dbraw/zinc/98/17/52/1315981752.db2.gz XASWKXLBDOEOLH-UHFFFAOYSA-N 1 3 329.444 2.869 20 0 EFADHO COC(=O)c1cccc([C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683963 1315981809 /nfs/dbraw/zinc/98/18/09/1315981809.db2.gz JIZIDYPEEHYLPZ-VNCLNFNDSA-N 1 3 346.471 2.767 20 0 EFADHO COc1cnccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256689196 1315982371 /nfs/dbraw/zinc/98/23/71/1315982371.db2.gz SUTYOOBYBIDPAD-UHYCVJNDSA-N 1 3 345.487 2.774 20 0 EFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc2c(c1)CCO2 ZINC001256688415 1315982457 /nfs/dbraw/zinc/98/24/57/1315982457.db2.gz YQNACYZTWLKSCB-VNCLNFNDSA-N 1 3 330.472 2.916 20 0 EFADHO Cn1ccc2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc21 ZINC001256688389 1315982527 /nfs/dbraw/zinc/98/25/27/1315982527.db2.gz XLVIDYUOTSMHSK-UHFFFAOYSA-N 1 3 327.472 2.911 20 0 EFADHO Fc1ccc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)nc1 ZINC001256687400 1315982572 /nfs/dbraw/zinc/98/25/72/1315982572.db2.gz UQPHSGUKXTZTPL-FAFZWHIHSA-N 1 3 333.451 2.905 20 0 EFADHO CC1CCC([NH+]2CCN(C3CCC(N4CCOCC4)CC3)CC2)CC1 ZINC001256695352 1315983174 /nfs/dbraw/zinc/98/31/74/1315983174.db2.gz XIHVDOWFEDQIAM-UHFFFAOYSA-N 1 3 349.563 2.826 20 0 EFADHO C([C@H]1CCCC[N@@H+]1C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256694687 1315983215 /nfs/dbraw/zinc/98/32/15/1315983215.db2.gz CXBUEYOMPMURQQ-SOAGJPPSSA-N 1 3 335.536 2.580 20 0 EFADHO C([C@H]1CCCC[N@H+]1C1CCC(N2CCOCC2)CC1)N1CCCC1 ZINC001256694687 1315983217 /nfs/dbraw/zinc/98/32/17/1315983217.db2.gz CXBUEYOMPMURQQ-SOAGJPPSSA-N 1 3 335.536 2.580 20 0 EFADHO CC(C)(O)C[N@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256696149 1315983382 /nfs/dbraw/zinc/98/33/82/1315983382.db2.gz WRSWNIPGEOUMNO-UHFFFAOYSA-N 1 3 346.515 2.903 20 0 EFADHO CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCC(N2CCOCC2)CC1 ZINC001256696149 1315983384 /nfs/dbraw/zinc/98/33/84/1315983384.db2.gz WRSWNIPGEOUMNO-UHFFFAOYSA-N 1 3 346.515 2.903 20 0 EFADHO CN1CCC([N@H+](C2CCCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256699272 1315984085 /nfs/dbraw/zinc/98/40/85/1315984085.db2.gz LNGHSUZTBAKSTQ-UHFFFAOYSA-N 1 3 349.563 2.969 20 0 EFADHO CN1CCC([N@@H+](C2CCCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256699272 1315984089 /nfs/dbraw/zinc/98/40/89/1315984089.db2.gz LNGHSUZTBAKSTQ-UHFFFAOYSA-N 1 3 349.563 2.969 20 0 EFADHO Cc1ccn2cc(C[N@@H+](C)C3CCC(N4CCOCC4)CC3)nc2c1 ZINC001256699919 1315984379 /nfs/dbraw/zinc/98/43/79/1315984379.db2.gz QHJGUHDRVNWFOO-UHFFFAOYSA-N 1 3 342.487 2.718 20 0 EFADHO Cc1ccn2cc(C[N@H+](C)C3CCC(N4CCOCC4)CC3)nc2c1 ZINC001256699919 1315984382 /nfs/dbraw/zinc/98/43/82/1315984382.db2.gz QHJGUHDRVNWFOO-UHFFFAOYSA-N 1 3 342.487 2.718 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256797790 1315992334 /nfs/dbraw/zinc/99/23/34/1315992334.db2.gz DHMUQEJAXMEOQH-WOJBJXKFSA-N 1 3 331.504 2.522 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806651 1315992891 /nfs/dbraw/zinc/99/28/91/1315992891.db2.gz HXFQHNQSHVTINQ-ROUUACIJSA-N 1 3 346.471 2.653 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256806651 1315992894 /nfs/dbraw/zinc/99/28/94/1315992894.db2.gz HXFQHNQSHVTINQ-ROUUACIJSA-N 1 3 346.471 2.653 20 0 EFADHO c1ccc2c(c1)CCN1CCN(C3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC001256863341 1316001418 /nfs/dbraw/zinc/00/14/18/1316001418.db2.gz XWUGIJIGZOHCOX-QFIPXVFZSA-N 1 3 348.494 2.965 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895045 1316006143 /nfs/dbraw/zinc/00/61/43/1316006143.db2.gz QIDNRESBQUEHEL-CVEARBPZSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895045 1316006144 /nfs/dbraw/zinc/00/61/44/1316006144.db2.gz QIDNRESBQUEHEL-CVEARBPZSA-N 1 3 337.508 2.992 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001257057692 1316026975 /nfs/dbraw/zinc/02/69/75/1316026975.db2.gz FAKSIHIFBNZENQ-YOEHRIQHSA-N 1 3 326.456 2.617 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001257166968 1316042392 /nfs/dbraw/zinc/04/23/92/1316042392.db2.gz KWCXYMIEZOQWAG-JXFKEZNVSA-N 1 3 330.472 2.822 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001257166968 1316042396 /nfs/dbraw/zinc/04/23/96/1316042396.db2.gz KWCXYMIEZOQWAG-JXFKEZNVSA-N 1 3 330.472 2.822 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039972467 1316042387 /nfs/dbraw/zinc/04/23/87/1316042387.db2.gz NPPXFQPRBHCFJK-ZGXWSNOMSA-N 1 3 347.547 2.972 20 0 EFADHO COc1ccccc1CN1CC[C@H](NC2CC[NH+](C(C)C)CC2)C1 ZINC001257211114 1316046583 /nfs/dbraw/zinc/04/65/83/1316046583.db2.gz CIOVIIJBRSCVBZ-IBGZPJMESA-N 1 3 331.504 2.732 20 0 EFADHO CC(C)N1CCC([NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)CC1 ZINC001257219016 1316049540 /nfs/dbraw/zinc/04/95/40/1316049540.db2.gz XASBVPRYOIUGLR-IAGOWNOFSA-N 1 3 333.545 2.985 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001040015078 1316055348 /nfs/dbraw/zinc/05/53/48/1316055348.db2.gz WROUSFNWNGKZRX-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001040015078 1316055350 /nfs/dbraw/zinc/05/53/50/1316055350.db2.gz WROUSFNWNGKZRX-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001040015078 1316055353 /nfs/dbraw/zinc/05/53/53/1316055353.db2.gz WROUSFNWNGKZRX-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+](C4CCCC4)CC3)C2)ccn1 ZINC001257352591 1316058067 /nfs/dbraw/zinc/05/80/67/1316058067.db2.gz BUQUTPZCLVWKEG-UHFFFAOYSA-N 1 3 329.488 2.939 20 0 EFADHO CCCCC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257510155 1316070848 /nfs/dbraw/zinc/07/08/48/1316070848.db2.gz BKTAAYFGWWLYOA-KRWDZBQOSA-N 1 3 333.520 2.779 20 0 EFADHO CCCCC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001257510155 1316070849 /nfs/dbraw/zinc/07/08/49/1316070849.db2.gz BKTAAYFGWWLYOA-KRWDZBQOSA-N 1 3 333.520 2.779 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257805673 1316094615 /nfs/dbraw/zinc/09/46/15/1316094615.db2.gz QVCZSEOSYRSUJU-RVKKMQEKSA-N 1 3 325.497 2.741 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257805672 1316094735 /nfs/dbraw/zinc/09/47/35/1316094735.db2.gz QVCZSEOSYRSUJU-RKVPGOIHSA-N 1 3 325.497 2.741 20 0 EFADHO COc1ccc2c(c1)C[C@H](C[NH2+]C1CCN(CC(C)C)CC1)CO2 ZINC001258007784 1316109640 /nfs/dbraw/zinc/10/96/40/1316109640.db2.gz SKLPEHJIDFKDQR-MRXNPFEDSA-N 1 3 332.488 2.956 20 0 EFADHO COc1ccc2c(c1)C[C@H](CNC1CC[NH+](CC(C)C)CC1)CO2 ZINC001258007784 1316109642 /nfs/dbraw/zinc/10/96/42/1316109642.db2.gz SKLPEHJIDFKDQR-MRXNPFEDSA-N 1 3 332.488 2.956 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+]C1CCN(CC(C)C)CC1 ZINC001258007456 1316109654 /nfs/dbraw/zinc/10/96/54/1316109654.db2.gz YAGDMRJTRPIEPI-HNNXBMFYSA-N 1 3 345.487 2.831 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@H]2CNC1CC[NH+](CC(C)C)CC1 ZINC001258007456 1316109657 /nfs/dbraw/zinc/10/96/57/1316109657.db2.gz YAGDMRJTRPIEPI-HNNXBMFYSA-N 1 3 345.487 2.831 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001258008097 1316109692 /nfs/dbraw/zinc/10/96/92/1316109692.db2.gz DPHNYTSAFOHESG-IBGZPJMESA-N 1 3 347.478 2.750 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001258013971 1316109896 /nfs/dbraw/zinc/10/98/96/1316109896.db2.gz AMXSJNNHPKNDAZ-VQTJNVASSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001258013971 1316109899 /nfs/dbraw/zinc/10/98/99/1316109899.db2.gz AMXSJNNHPKNDAZ-VQTJNVASSA-N 1 3 336.520 2.767 20 0 EFADHO CCN1C[C@H]2C[NH+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1 ZINC001258149887 1316125137 /nfs/dbraw/zinc/12/51/37/1316125137.db2.gz SCPXODVJIICPGF-PMACEKPBSA-N 1 3 327.516 2.577 20 0 EFADHO CSC(C)(C)C[C@@H](C)N1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001258343857 1316141302 /nfs/dbraw/zinc/14/13/02/1316141302.db2.gz FGGBOQJUTOTTNG-CQSZACIVSA-N 1 3 341.565 2.568 20 0 EFADHO COC(=O)CC[C@@H](C)[NH2+]CC1CCN(Cc2ccccc2F)CC1 ZINC001258359657 1316143124 /nfs/dbraw/zinc/14/31/24/1316143124.db2.gz VWCRQCYSVNUFHG-OAHLLOKOSA-N 1 3 336.451 2.969 20 0 EFADHO COc1ccc(CC[C@@H](C)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001258405280 1316148813 /nfs/dbraw/zinc/14/88/13/1316148813.db2.gz BTEHHEJPYFTSKO-LJQANCHMSA-N 1 3 345.531 2.730 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236264 1316158324 /nfs/dbraw/zinc/15/83/24/1316158324.db2.gz KKBLIZXIEOKJFR-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236264 1316158325 /nfs/dbraw/zinc/15/83/25/1316158325.db2.gz KKBLIZXIEOKJFR-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 ZINC001258771212 1316175840 /nfs/dbraw/zinc/17/58/40/1316175840.db2.gz YETNDJRNJABTBE-KBAYOESNSA-N 1 3 349.519 2.872 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC1 ZINC001258778199 1316178075 /nfs/dbraw/zinc/17/80/75/1316178075.db2.gz ZNKGHALDOAPEAR-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO COc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258885368 1316188774 /nfs/dbraw/zinc/18/87/74/1316188774.db2.gz YZLVKGCVMXUHEF-WDSOQIARSA-N 1 3 332.488 2.859 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1ccccc1S(C)(=O)=O ZINC001258903593 1316190793 /nfs/dbraw/zinc/19/07/93/1316190793.db2.gz VEHUYKLHWTWVBT-HNNXBMFYSA-N 1 3 326.506 2.690 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001258906997 1316190986 /nfs/dbraw/zinc/19/09/86/1316190986.db2.gz CLDAMLFLGUYZSU-PZJWPPBQSA-N 1 3 347.547 2.676 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929330 1316230280 /nfs/dbraw/zinc/23/02/80/1316230280.db2.gz FBULIECVFVTVRE-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929330 1316230283 /nfs/dbraw/zinc/23/02/83/1316230283.db2.gz FBULIECVFVTVRE-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929330 1316230287 /nfs/dbraw/zinc/23/02/87/1316230287.db2.gz FBULIECVFVTVRE-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)C1 ZINC001040392036 1316238880 /nfs/dbraw/zinc/23/88/80/1316238880.db2.gz SKBVRBQCSZVBGR-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)C1 ZINC001040392036 1316238884 /nfs/dbraw/zinc/23/88/84/1316238884.db2.gz SKBVRBQCSZVBGR-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001040393764 1316239724 /nfs/dbraw/zinc/23/97/24/1316239724.db2.gz FSHGYBWIKOHXQU-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001040393764 1316239727 /nfs/dbraw/zinc/23/97/27/1316239727.db2.gz FSHGYBWIKOHXQU-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040393354 1316239906 /nfs/dbraw/zinc/23/99/06/1316239906.db2.gz AYNGPKNXYXFMEQ-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040393354 1316239909 /nfs/dbraw/zinc/23/99/09/1316239909.db2.gz AYNGPKNXYXFMEQ-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394580 1316240818 /nfs/dbraw/zinc/24/08/18/1316240818.db2.gz JKTOCKZDGBMYTG-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394580 1316240822 /nfs/dbraw/zinc/24/08/22/1316240822.db2.gz JKTOCKZDGBMYTG-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394636 1316241100 /nfs/dbraw/zinc/24/11/00/1316241100.db2.gz KHGZPAGRXJPPIF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394636 1316241104 /nfs/dbraw/zinc/24/11/04/1316241104.db2.gz KHGZPAGRXJPPIF-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396166 1316241438 /nfs/dbraw/zinc/24/14/38/1316241438.db2.gz SKODKIQIEYPOLE-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396166 1316241441 /nfs/dbraw/zinc/24/14/41/1316241441.db2.gz SKODKIQIEYPOLE-ICSRJNTNSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396168 1316241463 /nfs/dbraw/zinc/24/14/63/1316241463.db2.gz SKODKIQIEYPOLE-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040396168 1316241468 /nfs/dbraw/zinc/24/14/68/1316241468.db2.gz SKODKIQIEYPOLE-UYAOXDASSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396165 1316241544 /nfs/dbraw/zinc/24/15/44/1316241544.db2.gz SKODKIQIEYPOLE-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040396165 1316241546 /nfs/dbraw/zinc/24/15/46/1316241546.db2.gz SKODKIQIEYPOLE-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCCC2)C3)C1 ZINC001040397165 1316243025 /nfs/dbraw/zinc/24/30/25/1316243025.db2.gz YETHQXMBRIWHDZ-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCCC2)C3)C1 ZINC001040397165 1316243027 /nfs/dbraw/zinc/24/30/27/1316243027.db2.gz YETHQXMBRIWHDZ-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001040421067 1316254456 /nfs/dbraw/zinc/25/44/56/1316254456.db2.gz DKIYSRNLGKDFCC-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001040421067 1316254460 /nfs/dbraw/zinc/25/44/60/1316254460.db2.gz DKIYSRNLGKDFCC-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001040423041 1316255489 /nfs/dbraw/zinc/25/54/89/1316255489.db2.gz QGXHSQCUCJZBBI-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001040423041 1316255491 /nfs/dbraw/zinc/25/54/91/1316255491.db2.gz QGXHSQCUCJZBBI-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040543115 1316315159 /nfs/dbraw/zinc/31/51/59/1316315159.db2.gz HIAYQPABXWVEHY-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040543115 1316315160 /nfs/dbraw/zinc/31/51/60/1316315160.db2.gz HIAYQPABXWVEHY-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040542891 1316315340 /nfs/dbraw/zinc/31/53/40/1316315340.db2.gz FOHXYNKJSSIQMK-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040542891 1316315342 /nfs/dbraw/zinc/31/53/42/1316315342.db2.gz FOHXYNKJSSIQMK-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040544803 1316316559 /nfs/dbraw/zinc/31/65/59/1316316559.db2.gz JVBWIOILBVYMPS-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040544803 1316316562 /nfs/dbraw/zinc/31/65/62/1316316562.db2.gz JVBWIOILBVYMPS-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729384 1316361373 /nfs/dbraw/zinc/36/13/73/1316361373.db2.gz IWYVMMVMGWRZAD-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040730565 1316362128 /nfs/dbraw/zinc/36/21/28/1316362128.db2.gz WJEZZXJJEPKHPG-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735121 1316362859 /nfs/dbraw/zinc/36/28/59/1316362859.db2.gz KBZVGNNHJCTYRP-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040849468 1316388656 /nfs/dbraw/zinc/38/86/56/1316388656.db2.gz SIKRYMVOPARVLR-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN4CC[C@H](C)C4)C3)CC2)C1 ZINC001040850068 1316389094 /nfs/dbraw/zinc/38/90/94/1316389094.db2.gz WPLOGNHGBIOCAN-VIQWUECVSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)N(C)C ZINC001040853652 1316389365 /nfs/dbraw/zinc/38/93/65/1316389365.db2.gz VPQLIQHOQZXZOX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)CC1 ZINC001040875087 1316394658 /nfs/dbraw/zinc/39/46/58/1316394658.db2.gz RCAKTURFMCIJBE-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040953870 1316410440 /nfs/dbraw/zinc/41/04/40/1316410440.db2.gz SRYJIXRYUBFDJS-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2)N(C)C ZINC001072991363 1316427671 /nfs/dbraw/zinc/42/76/71/1316427671.db2.gz SXTQTAAIGSBCGK-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2)N(C)C ZINC001072991363 1316427672 /nfs/dbraw/zinc/42/76/72/1316427672.db2.gz SXTQTAAIGSBCGK-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035888 1316431377 /nfs/dbraw/zinc/43/13/77/1316431377.db2.gz XXVDKSYGZZPIKY-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001073035888 1316431379 /nfs/dbraw/zinc/43/13/79/1316431379.db2.gz XXVDKSYGZZPIKY-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)N(C)C ZINC001262565803 1316472340 /nfs/dbraw/zinc/47/23/40/1316472340.db2.gz WQUVQDGDTFGAJI-WCQYABFASA-N 1 3 335.275 2.663 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC001074023801 1316489849 /nfs/dbraw/zinc/48/98/49/1316489849.db2.gz HGGPXSPVXBYSKF-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC001074023801 1316489851 /nfs/dbraw/zinc/48/98/51/1316489851.db2.gz HGGPXSPVXBYSKF-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041277186 1316499608 /nfs/dbraw/zinc/49/96/08/1316499608.db2.gz NOBKOGNEJMHNON-QDBVJCLKSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041277186 1316499609 /nfs/dbraw/zinc/49/96/09/1316499609.db2.gz NOBKOGNEJMHNON-QDBVJCLKSA-N 1 3 339.911 2.536 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287892 1316503432 /nfs/dbraw/zinc/50/34/32/1316503432.db2.gz RUFWGYWLTRHAKQ-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287892 1316503435 /nfs/dbraw/zinc/50/34/35/1316503435.db2.gz RUFWGYWLTRHAKQ-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001263239783 1316523695 /nfs/dbraw/zinc/52/36/95/1316523695.db2.gz UZBNYDGYGCHSLU-IEBWSBKVSA-N 1 3 349.434 2.849 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)CCC1 ZINC001041352721 1316524926 /nfs/dbraw/zinc/52/49/26/1316524926.db2.gz AVTNWJSPKCDSEZ-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)CCC1 ZINC001041352721 1316524928 /nfs/dbraw/zinc/52/49/28/1316524928.db2.gz AVTNWJSPKCDSEZ-HXUWFJFHSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CCC1 ZINC001041356667 1316526091 /nfs/dbraw/zinc/52/60/91/1316526091.db2.gz ASMAXVLLWKBGAS-NRFANRHFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CCC1 ZINC001041356667 1316526094 /nfs/dbraw/zinc/52/60/94/1316526094.db2.gz ASMAXVLLWKBGAS-NRFANRHFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356720 1316526357 /nfs/dbraw/zinc/52/63/57/1316526357.db2.gz BJUZYNALXXARHC-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)C1CC1 ZINC001041356720 1316526359 /nfs/dbraw/zinc/52/63/59/1316526359.db2.gz BJUZYNALXXARHC-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358383 1316527131 /nfs/dbraw/zinc/52/71/31/1316527131.db2.gz NMAJQPGNRJVTKC-RXVVDRJESA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358383 1316527134 /nfs/dbraw/zinc/52/71/34/1316527134.db2.gz NMAJQPGNRJVTKC-RXVVDRJESA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360606 1316527959 /nfs/dbraw/zinc/52/79/59/1316527959.db2.gz ZIYAAFKMFXNZNS-PXNSSMCTSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)C1CC1 ZINC001041360606 1316527962 /nfs/dbraw/zinc/52/79/62/1316527962.db2.gz ZIYAAFKMFXNZNS-PXNSSMCTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccccc1 ZINC001074687066 1316530222 /nfs/dbraw/zinc/53/02/22/1316530222.db2.gz PGEHEYQPQRAMRG-BXWFABGCSA-N 1 3 329.488 2.811 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)c1 ZINC001074878096 1316538971 /nfs/dbraw/zinc/53/89/71/1316538971.db2.gz ZQLQZHSOWGYGQP-HBFSDRIKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)c1 ZINC001074878491 1316539330 /nfs/dbraw/zinc/53/93/30/1316539330.db2.gz ZJIDPBIZCRZMNW-GJYPPUQNSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C)c1 ZINC001074878491 1316539332 /nfs/dbraw/zinc/53/93/32/1316539332.db2.gz ZJIDPBIZCRZMNW-GJYPPUQNSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)c1 ZINC001074877885 1316539352 /nfs/dbraw/zinc/53/93/52/1316539352.db2.gz QTIRLNBTLIDHJT-UWVAXJGDSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)cc1 ZINC001074877721 1316539435 /nfs/dbraw/zinc/53/94/35/1316539435.db2.gz IYLGWUGCPRAKIB-LNLFQRSKSA-N 1 3 329.488 2.558 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041401347 1316540539 /nfs/dbraw/zinc/54/05/39/1316540539.db2.gz ABMHNXWEWYAOCV-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1)N(C)C ZINC001041401347 1316540542 /nfs/dbraw/zinc/54/05/42/1316540542.db2.gz ABMHNXWEWYAOCV-CTNGQTDRSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041409378 1316543830 /nfs/dbraw/zinc/54/38/30/1316543830.db2.gz XTEUNLWYBQPQGQ-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041409378 1316543832 /nfs/dbraw/zinc/54/38/32/1316543832.db2.gz XTEUNLWYBQPQGQ-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1Cl ZINC001491567842 1316560032 /nfs/dbraw/zinc/56/00/32/1316560032.db2.gz HXVWXNYGELYBAX-ZIAGYGMSSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041644108 1316632235 /nfs/dbraw/zinc/63/22/35/1316632235.db2.gz BCIMRQOMDCNRBS-NQIIRXRSSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041644108 1316632238 /nfs/dbraw/zinc/63/22/38/1316632238.db2.gz BCIMRQOMDCNRBS-NQIIRXRSSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041644109 1316632563 /nfs/dbraw/zinc/63/25/63/1316632563.db2.gz BCIMRQOMDCNRBS-WIYYLYMNSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041644109 1316632564 /nfs/dbraw/zinc/63/25/64/1316632564.db2.gz BCIMRQOMDCNRBS-WIYYLYMNSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041646513 1316633237 /nfs/dbraw/zinc/63/32/37/1316633237.db2.gz RTJTXCFEEXZASK-YLJYHZDGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1)N(C)C ZINC001041646513 1316633239 /nfs/dbraw/zinc/63/32/39/1316633239.db2.gz RTJTXCFEEXZASK-YLJYHZDGSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001041674389 1316644112 /nfs/dbraw/zinc/64/41/12/1316644112.db2.gz JJIPHTJORQLVQJ-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001041674389 1316644114 /nfs/dbraw/zinc/64/41/14/1316644114.db2.gz JJIPHTJORQLVQJ-PXNSSMCTSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679541 1316646292 /nfs/dbraw/zinc/64/62/92/1316646292.db2.gz NUOWWDXLPFCTAU-NQIIRXRSSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)C1 ZINC001041679541 1316646295 /nfs/dbraw/zinc/64/62/95/1316646295.db2.gz NUOWWDXLPFCTAU-NQIIRXRSSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681220 1316646798 /nfs/dbraw/zinc/64/67/98/1316646798.db2.gz ZGEBKXSLQZKUGV-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681220 1316646801 /nfs/dbraw/zinc/64/68/01/1316646801.db2.gz ZGEBKXSLQZKUGV-GHTZIAJQSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041693579 1316649998 /nfs/dbraw/zinc/64/99/98/1316649998.db2.gz UBKVIVQBILICBT-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041693579 1316649999 /nfs/dbraw/zinc/64/99/99/1316649999.db2.gz UBKVIVQBILICBT-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041724194 1316666232 /nfs/dbraw/zinc/66/62/32/1316666232.db2.gz QFDLPIOKGGJLKD-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041724194 1316666235 /nfs/dbraw/zinc/66/62/35/1316666235.db2.gz QFDLPIOKGGJLKD-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041723600 1316666432 /nfs/dbraw/zinc/66/64/32/1316666432.db2.gz JUFRBCDFXLFBQU-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041723600 1316666436 /nfs/dbraw/zinc/66/64/36/1316666436.db2.gz JUFRBCDFXLFBQU-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723563 1316666677 /nfs/dbraw/zinc/66/66/77/1316666677.db2.gz IWLRYBOBDGDMIR-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041723563 1316666680 /nfs/dbraw/zinc/66/66/80/1316666680.db2.gz IWLRYBOBDGDMIR-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755709 1316682903 /nfs/dbraw/zinc/68/29/03/1316682903.db2.gz AYWCFQJMPVUSHU-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041755709 1316682905 /nfs/dbraw/zinc/68/29/05/1316682905.db2.gz AYWCFQJMPVUSHU-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786281 1316698235 /nfs/dbraw/zinc/69/82/35/1316698235.db2.gz UDKMYRHARVWXKS-APWZRJJASA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786281 1316698236 /nfs/dbraw/zinc/69/82/36/1316698236.db2.gz UDKMYRHARVWXKS-APWZRJJASA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1)N(C)C ZINC001265059685 1316705646 /nfs/dbraw/zinc/70/56/46/1316705646.db2.gz GLBKOWPVEGVFEI-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(Cl)c1)N(C)C ZINC001265059685 1316705648 /nfs/dbraw/zinc/70/56/48/1316705648.db2.gz GLBKOWPVEGVFEI-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@H](F)CN1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844794 1316730789 /nfs/dbraw/zinc/73/07/89/1316730789.db2.gz NPEDXDYGMHNMNN-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001041845157 1316731590 /nfs/dbraw/zinc/73/15/90/1316731590.db2.gz ULEPCYSBOSXKGI-FQEVSTJZSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041845157 1316731592 /nfs/dbraw/zinc/73/15/92/1316731592.db2.gz ULEPCYSBOSXKGI-FQEVSTJZSA-N 1 3 347.478 2.646 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041845709 1316731832 /nfs/dbraw/zinc/73/18/32/1316731832.db2.gz OGQMFJIVQRNVFI-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1 ZINC001041845709 1316731835 /nfs/dbraw/zinc/73/18/35/1316731835.db2.gz OGQMFJIVQRNVFI-UYAOXDASSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063206 1316853738 /nfs/dbraw/zinc/85/37/38/1316853738.db2.gz SCQHEKISKXZLHQ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001042063206 1316853740 /nfs/dbraw/zinc/85/37/40/1316853740.db2.gz SCQHEKISKXZLHQ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@@H]2C1)N1CCCC1 ZINC001042186440 1316939899 /nfs/dbraw/zinc/93/98/99/1316939899.db2.gz HHILHSKCHOJQCV-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C1)N1CCCC1 ZINC001042186440 1316939901 /nfs/dbraw/zinc/93/99/01/1316939901.db2.gz HHILHSKCHOJQCV-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCC1 ZINC001042186573 1316939973 /nfs/dbraw/zinc/93/99/73/1316939973.db2.gz IDQBISYQHAWISJ-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCC1 ZINC001042186573 1316939975 /nfs/dbraw/zinc/93/99/75/1316939975.db2.gz IDQBISYQHAWISJ-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@@H]3C2)CC1 ZINC001042213231 1316964376 /nfs/dbraw/zinc/96/43/76/1316964376.db2.gz DVUFKXVVTBCNIP-SJLPKXTDSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@H+](CC4CC4)[C@@H]3C2)c1 ZINC001042365388 1317218594 /nfs/dbraw/zinc/21/85/94/1317218594.db2.gz NLFNOWFGIDSXKB-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](CC4CC4)[C@@H]3C2)c1 ZINC001042365388 1317218598 /nfs/dbraw/zinc/21/85/98/1317218598.db2.gz NLFNOWFGIDSXKB-UYAOXDASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001280084225 1317449518 /nfs/dbraw/zinc/44/95/18/1317449518.db2.gz OSTGKZVJPXDLQW-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cnc2ccccc2c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001319211974 1328808655 /nfs/dbraw/zinc/80/86/55/1328808655.db2.gz AQYSPPDJMOBELH-INIZCTEOSA-N 1 3 325.456 2.878 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC001319767593 1328981974 /nfs/dbraw/zinc/98/19/74/1328981974.db2.gz NWHNCKNVHGIHJW-STQMWFEESA-N 1 3 343.393 2.508 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C ZINC001319767593 1328981978 /nfs/dbraw/zinc/98/19/78/1328981978.db2.gz NWHNCKNVHGIHJW-STQMWFEESA-N 1 3 343.393 2.508 20 0 EFADHO COc1ccc(C)cc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001414067557 1328984494 /nfs/dbraw/zinc/98/44/94/1328984494.db2.gz TUBKSPLNJVXDQP-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1)N(C)C ZINC001319788491 1328989538 /nfs/dbraw/zinc/98/95/38/1328989538.db2.gz OOZCKMZVJCDSCO-MOPGFXCFSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1)N(C)C ZINC001319788493 1328989853 /nfs/dbraw/zinc/98/98/53/1328989853.db2.gz OOZCKMZVJCDSCO-RBUKOAKNSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001492315792 1324415556 /nfs/dbraw/zinc/41/55/56/1324415556.db2.gz FYAUCCBRJIHFNT-MJGOQNOKSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001492315792 1324415557 /nfs/dbraw/zinc/41/55/57/1324415557.db2.gz FYAUCCBRJIHFNT-MJGOQNOKSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389753 1324471118 /nfs/dbraw/zinc/47/11/18/1324471118.db2.gz RUUKDSAXSLSXHH-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccccc1Cl ZINC001379232034 1345671619 /nfs/dbraw/zinc/67/16/19/1345671619.db2.gz VDLXDFRKVHSSGT-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001380991000 1348010251 /nfs/dbraw/zinc/01/02/51/1348010251.db2.gz STPPQNIEOLYDLU-MSOLQXFVSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CCCN(CCF)C2)C1 ZINC001380991000 1348010256 /nfs/dbraw/zinc/01/02/56/1348010256.db2.gz STPPQNIEOLYDLU-MSOLQXFVSA-N 1 3 341.515 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1F)N(C)C ZINC001381211393 1348142188 /nfs/dbraw/zinc/14/21/88/1348142188.db2.gz QTJGLGLYXNPNNF-SUMWQHHRSA-N 1 3 341.446 2.535 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381260404 1348170141 /nfs/dbraw/zinc/17/01/41/1348170141.db2.gz ZYWUDKPFMWBHNZ-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381260404 1348170145 /nfs/dbraw/zinc/17/01/45/1348170145.db2.gz ZYWUDKPFMWBHNZ-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc(Cl)n1 ZINC001325058148 1329668590 /nfs/dbraw/zinc/66/85/90/1329668590.db2.gz NVVPSCSTEIQLBM-GOSISDBHSA-N 1 3 345.874 2.900 20 0 EFADHO Cc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(Cl)n1 ZINC001325058148 1329668591 /nfs/dbraw/zinc/66/85/91/1329668591.db2.gz NVVPSCSTEIQLBM-GOSISDBHSA-N 1 3 345.874 2.900 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]([NH3+])C3CCCCC3)cc2)CC1 ZINC001326369119 1329750855 /nfs/dbraw/zinc/75/08/55/1329750855.db2.gz CGBWRWOXXWAIPW-LJQANCHMSA-N 1 3 344.503 2.675 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H](C[NH2+]CC2CCC2)C2CC2)c1 ZINC001382038295 1348677931 /nfs/dbraw/zinc/67/79/31/1348677931.db2.gz LYMQJGIDDGDOHZ-FQEVSTJZSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1)N(C)C ZINC001382158911 1348780125 /nfs/dbraw/zinc/78/01/25/1348780125.db2.gz KOTZZONHSDHEBO-WMZOPIPTSA-N 1 3 325.541 2.980 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CCc1cccs1)C1CCC1 ZINC001326713246 1330352489 /nfs/dbraw/zinc/35/24/89/1330352489.db2.gz PDOIQTSZAQJOKN-QGZVFWFLSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2csc3ccccc23)CC1 ZINC001414083276 1331550305 /nfs/dbraw/zinc/55/03/05/1331550305.db2.gz RKYMSWVBSWFAGL-UHFFFAOYSA-N 1 3 345.512 2.934 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@H](C)[C@@H]2CN(C)CCN2C)c1C ZINC001339814576 1332104401 /nfs/dbraw/zinc/10/44/01/1332104401.db2.gz COPRWTIYUZERNN-BEFAXECRSA-N 1 3 326.488 2.574 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@H](C)[C@H]2CN(C)CCN2C)c1C ZINC001339814577 1332104436 /nfs/dbraw/zinc/10/44/36/1332104436.db2.gz COPRWTIYUZERNN-DNVCBOLYSA-N 1 3 326.488 2.574 20 0 EFADHO C[C@@H]1CCN(C(=O)CCSCCC[NH3+])CCN1Cc1ccccc1 ZINC001340882160 1332216915 /nfs/dbraw/zinc/21/69/15/1332216915.db2.gz WKSFATDBNOPAEM-QGZVFWFLSA-N 1 3 349.544 2.582 20 0 EFADHO C[C@@H]1C(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)[C@H]1c1ccccc1 ZINC001345108462 1332509873 /nfs/dbraw/zinc/50/98/73/1332509873.db2.gz LDNJPVIGQRTRDG-ONSCTEFMSA-N 1 3 341.499 2.826 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](N)C2CCCCC2)c1 ZINC001349474778 1332958159 /nfs/dbraw/zinc/95/81/59/1332958159.db2.gz XOTMZPMOLJQIFR-GOSISDBHSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001480117634 1333383932 /nfs/dbraw/zinc/38/39/32/1333383932.db2.gz QAVHGRPQBGHWHJ-WMZOPIPTSA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(C[C@H](F)CC)CC2)C1 ZINC001001750654 1333437975 /nfs/dbraw/zinc/43/79/75/1333437975.db2.gz DPCRGXCNWHVKER-ZWKOTPCHSA-N 1 3 341.515 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CCN(C[C@H](F)CC)CC2)C1 ZINC001001750654 1333437979 /nfs/dbraw/zinc/43/79/79/1333437979.db2.gz DPCRGXCNWHVKER-ZWKOTPCHSA-N 1 3 341.515 2.685 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001100562700 1334294328 /nfs/dbraw/zinc/29/43/28/1334294328.db2.gz XKDHILUHTZDDHQ-UHFFFAOYSA-N 1 3 343.515 2.854 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001100651828 1334491295 /nfs/dbraw/zinc/49/12/95/1334491295.db2.gz KRVLHXLCEFJTAM-SOAGJPPSSA-N 1 3 345.531 2.820 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC001100675858 1334549108 /nfs/dbraw/zinc/54/91/08/1334549108.db2.gz ATOVEUMASUHCAM-MXWWQKGMSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100675916 1334549687 /nfs/dbraw/zinc/54/96/87/1334549687.db2.gz CFXXILXAAGRFTL-MDCZIUGASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001100676165 1334549844 /nfs/dbraw/zinc/54/98/44/1334549844.db2.gz IQNDNPLVUHHORE-QHGAOEGBSA-N 1 3 343.515 2.506 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001100676207 1334550375 /nfs/dbraw/zinc/55/03/75/1334550375.db2.gz KBAGWKLAQSQIQY-NFOMZHRRSA-N 1 3 349.441 2.688 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001100676216 1334550865 /nfs/dbraw/zinc/55/08/65/1334550865.db2.gz KPQOPVGDTHVZEW-KLHKWILBSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001100678186 1334556213 /nfs/dbraw/zinc/55/62/13/1334556213.db2.gz BXZQQLWFXSKTQN-NXVRBGIVSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001100678503 1334556568 /nfs/dbraw/zinc/55/65/68/1334556568.db2.gz MYLQAFJFAOETQK-VQSBYGRUSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]C/C=C/c3ccccc3)C2)C1 ZINC001100678541 1334556634 /nfs/dbraw/zinc/55/66/34/1334556634.db2.gz OFDGKZPIDIZZBO-AOLASWIXSA-N 1 3 341.499 2.526 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001100678744 1334556894 /nfs/dbraw/zinc/55/68/94/1334556894.db2.gz VSEUGJDYVNRZEM-APMMTJHUSA-N 1 3 343.515 2.630 20 0 EFADHO CC(C)CC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679877 1334559667 /nfs/dbraw/zinc/55/96/67/1334559667.db2.gz UDCVYLJLXNELGD-RJYAGPCLSA-N 1 3 341.515 2.729 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001100680775 1334562114 /nfs/dbraw/zinc/56/21/14/1334562114.db2.gz FEEGKSDZSCJGSH-UHFFFAOYSA-N 1 3 349.494 2.788 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]CCCCCF)C1)CC(C)(C)C ZINC001100681361 1334563380 /nfs/dbraw/zinc/56/33/80/1334563380.db2.gz GWSFEUPTZBXQNA-UHFFFAOYSA-N 1 3 329.504 2.589 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001100681276 1334563759 /nfs/dbraw/zinc/56/37/59/1334563759.db2.gz FHHYRMXQVCUBRH-UHFFFAOYSA-N 1 3 337.533 2.710 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001100681707 1334564705 /nfs/dbraw/zinc/56/47/05/1334564705.db2.gz QGVJSIHDVKEHPU-UHFFFAOYSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001100683885 1334569835 /nfs/dbraw/zinc/56/98/35/1334569835.db2.gz WRFOSTPLGWSQAZ-QLOJAFMTSA-N 1 3 345.531 2.936 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100729353 1334685577 /nfs/dbraw/zinc/68/55/77/1334685577.db2.gz BSGNWKHJNKMNJQ-ABHNRTSZSA-N 1 3 341.515 2.874 20 0 EFADHO O[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000848534223 1334780525 /nfs/dbraw/zinc/78/05/25/1334780525.db2.gz YUHIBHVNIQOMGT-IAGOWNOFSA-N 1 3 346.496 2.778 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@H](C4CCCC4)CC3=O)C[C@@H]2C1 ZINC001356055085 1334942750 /nfs/dbraw/zinc/94/27/50/1334942750.db2.gz AIDLLJDVNBPNSE-FCGDIQPGSA-N 1 3 333.520 2.645 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@@H](C)N2CCCC[C@H]2C)cc1 ZINC000848998156 1335032236 /nfs/dbraw/zinc/03/22/36/1335032236.db2.gz ZGBQMFPLMDUUGX-HZPDHXFCSA-N 1 3 332.492 2.615 20 0 EFADHO COc1ccc(CNC(=[NH2+])NC[C@@H](C)N2CCCC[C@@H]2C)cc1OC ZINC000849061512 1335064179 /nfs/dbraw/zinc/06/41/79/1335064179.db2.gz IZHNPCHXRRCIID-LSDHHAIUSA-N 1 3 348.491 2.581 20 0 EFADHO COc1ccc(CNC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1OC ZINC000849061510 1335064524 /nfs/dbraw/zinc/06/45/24/1335064524.db2.gz IZHNPCHXRRCIID-GJZGRUSLSA-N 1 3 348.491 2.581 20 0 EFADHO CC(C)CCOCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849065358 1335066973 /nfs/dbraw/zinc/06/69/73/1335066973.db2.gz XTWHZDNJICVBBG-UHFFFAOYSA-N 1 3 346.519 2.828 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)(C)C)cc1 ZINC000849068107 1335068389 /nfs/dbraw/zinc/06/83/89/1335068389.db2.gz SZIXFQZTPUWSEH-INIZCTEOSA-N 1 3 332.492 2.962 20 0 EFADHO CO[C@H]1CCC[C@@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849076105 1335070129 /nfs/dbraw/zinc/07/01/29/1335070129.db2.gz AMISBLZEQGMANJ-MJGOQNOKSA-N 1 3 344.503 2.580 20 0 EFADHO [NH2+]=C(NCC[C@@H]1CCCCO1)NC1CCN(Cc2ccccc2)CC1 ZINC000849078473 1335070578 /nfs/dbraw/zinc/07/05/78/1335070578.db2.gz XXCMRGOMFYYOFB-IBGZPJMESA-N 1 3 344.503 2.724 20 0 EFADHO CCC[C@H](CCO)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849096581 1335075981 /nfs/dbraw/zinc/07/59/81/1335075981.db2.gz WMODCHHADSLWRX-QGZVFWFLSA-N 1 3 346.519 2.564 20 0 EFADHO CN1CCC[NH+]=C1NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000849111822 1335553923 /nfs/dbraw/zinc/55/39/23/1335553923.db2.gz HAZSLVRCSFIKDY-UHFFFAOYSA-N 1 3 334.895 2.833 20 0 EFADHO CC[C@H](C)[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113507 1335554522 /nfs/dbraw/zinc/55/45/22/1335554522.db2.gz PYXXWPFEJZKOGQ-QFBILLFUSA-N 1 3 346.519 2.826 20 0 EFADHO CCC[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113728 1335554689 /nfs/dbraw/zinc/55/46/89/1335554689.db2.gz RLWWEVJACOOODF-SFHVURJKSA-N 1 3 332.492 2.580 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000849116450 1335555493 /nfs/dbraw/zinc/55/54/93/1335555493.db2.gz JRDKVPXWYZHYEO-BRWVUGGUSA-N 1 3 330.476 2.539 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000849117423 1335555848 /nfs/dbraw/zinc/55/58/48/1335555848.db2.gz DTTXBJFOCRBCMO-RYRKJORJSA-N 1 3 344.503 2.578 20 0 EFADHO C[C@@H]1C[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)[C@H](C)O1 ZINC000849117424 1335555869 /nfs/dbraw/zinc/55/58/69/1335555869.db2.gz DTTXBJFOCRBCMO-SOLBZPMBSA-N 1 3 344.503 2.578 20 0 EFADHO O=C(Nc1ccc2c(c1)CN(CC1CC[NH2+]CC1)C2)C(F)(F)F ZINC000849350750 1335596783 /nfs/dbraw/zinc/59/67/83/1335596783.db2.gz VBDKYJBMTCTZAV-UHFFFAOYSA-N 1 3 327.350 2.503 20 0 EFADHO C[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC001361869952 1336387296 /nfs/dbraw/zinc/38/72/96/1336387296.db2.gz IMVVMJVMRKOZGV-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO CN(CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)CC(C)(C)C ZINC001361881176 1336394080 /nfs/dbraw/zinc/39/40/80/1336394080.db2.gz RWRTUJPQOPIEJN-UHFFFAOYSA-N 1 3 337.483 2.694 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001361964747 1336442065 /nfs/dbraw/zinc/44/20/65/1336442065.db2.gz AGUNBGYUBSFZLC-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001361964747 1336442070 /nfs/dbraw/zinc/44/20/70/1336442070.db2.gz AGUNBGYUBSFZLC-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CN(C)[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC001362030010 1336472190 /nfs/dbraw/zinc/47/21/90/1336472190.db2.gz OAIYQFXYWSBIKL-FQEVSTJZSA-N 1 3 343.515 2.540 20 0 EFADHO O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1C[NH+](C2CCCCC2)C1 ZINC001362036244 1336474980 /nfs/dbraw/zinc/47/49/80/1336474980.db2.gz OBURGHBFASQZPR-LJQANCHMSA-N 1 3 341.499 2.642 20 0 EFADHO CN(CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)CC(C)(C)C ZINC001362089550 1336498333 /nfs/dbraw/zinc/49/83/33/1336498333.db2.gz DYIFNUWCKDYULY-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001362539634 1336650040 /nfs/dbraw/zinc/65/00/40/1336650040.db2.gz GWOANXGXLZSHPC-HKUYNNGSSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001362539634 1336650041 /nfs/dbraw/zinc/65/00/41/1336650041.db2.gz GWOANXGXLZSHPC-HKUYNNGSSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632686 1336683503 /nfs/dbraw/zinc/68/35/03/1336683503.db2.gz XBEVFHYBCUVCMO-CTNGQTDRSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632686 1336683505 /nfs/dbraw/zinc/68/35/05/1336683505.db2.gz XBEVFHYBCUVCMO-CTNGQTDRSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)c(CN(C)C)c1 ZINC001363114795 1336789071 /nfs/dbraw/zinc/78/90/71/1336789071.db2.gz YENTYXMYWYRBAJ-MRXNPFEDSA-N 1 3 338.455 2.917 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(C)nc1C1CCCCC1 ZINC001363362693 1336893684 /nfs/dbraw/zinc/89/36/84/1336893684.db2.gz KKQSTGDDWMQVRQ-GOSISDBHSA-N 1 3 336.524 2.914 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502219 1336906156 /nfs/dbraw/zinc/90/61/56/1336906156.db2.gz FOSBBZHFUZCZBN-HKUYNNGSSA-N 1 3 345.531 2.849 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502219 1336906160 /nfs/dbraw/zinc/90/61/60/1336906160.db2.gz FOSBBZHFUZCZBN-HKUYNNGSSA-N 1 3 345.531 2.849 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001363625693 1336960079 /nfs/dbraw/zinc/96/00/79/1336960079.db2.gz JSBKFLZNBQQNJU-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001363625693 1336960084 /nfs/dbraw/zinc/96/00/84/1336960084.db2.gz JSBKFLZNBQQNJU-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO COc1ccc(CN[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c(Cl)c1 ZINC001363861539 1337088157 /nfs/dbraw/zinc/08/81/57/1337088157.db2.gz DSNNBVGAMUUBAA-OAHLLOKOSA-N 1 3 337.895 2.607 20 0 EFADHO COc1ccc(CN[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)c1 ZINC001363861539 1337088159 /nfs/dbraw/zinc/08/81/59/1337088159.db2.gz DSNNBVGAMUUBAA-OAHLLOKOSA-N 1 3 337.895 2.607 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(OCC(=O)OC)cc1 ZINC001363911122 1337110961 /nfs/dbraw/zinc/11/09/61/1337110961.db2.gz UOKKQANJWAPMHD-UHFFFAOYSA-N 1 3 334.460 2.546 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(OCC(=O)OC)cc1 ZINC001363911122 1337110964 /nfs/dbraw/zinc/11/09/64/1337110964.db2.gz UOKKQANJWAPMHD-UHFFFAOYSA-N 1 3 334.460 2.546 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@H]2CN3CCC2CC3)cc1 ZINC001363945583 1337124520 /nfs/dbraw/zinc/12/45/20/1337124520.db2.gz SDKFZTRNKJVBQS-LPHOPBHVSA-N 1 3 332.488 2.574 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC001364019001 1337152058 /nfs/dbraw/zinc/15/20/58/1337152058.db2.gz COGRVAGQPQKHKR-IBGZPJMESA-N 1 3 349.519 2.969 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219160 1337181957 /nfs/dbraw/zinc/18/19/57/1337181957.db2.gz BHMHGKUASIGDLC-XLIONFOSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219160 1337181959 /nfs/dbraw/zinc/18/19/59/1337181959.db2.gz BHMHGKUASIGDLC-XLIONFOSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001364422791 1337186380 /nfs/dbraw/zinc/18/63/80/1337186380.db2.gz LXVDHYHNUYZPFX-IMFGXOCKSA-N 1 3 331.504 2.964 20 0 EFADHO CN(C)c1nc(Cl)c(CNCC2CC[NH+](C3CC3)CC2)s1 ZINC001364673043 1337198074 /nfs/dbraw/zinc/19/80/74/1337198074.db2.gz QWFDTGBMNWKIDM-UHFFFAOYSA-N 1 3 328.913 2.827 20 0 EFADHO Cc1cc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001365936054 1337267978 /nfs/dbraw/zinc/26/79/78/1337267978.db2.gz FOSTZVWIGVCEON-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001366001517 1337313960 /nfs/dbraw/zinc/31/39/60/1337313960.db2.gz BVXSMHXGPRQMMZ-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366007413 1337317975 /nfs/dbraw/zinc/31/79/75/1337317975.db2.gz XFIGXGKIIWSGQP-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1)N(C)C ZINC001366057842 1337352141 /nfs/dbraw/zinc/35/21/41/1337352141.db2.gz GHRCWJDOULMNTM-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001366101055 1337380182 /nfs/dbraw/zinc/38/01/82/1337380182.db2.gz AVGFFQLEKIQBDB-IBGZPJMESA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)N(C)C ZINC001366105095 1337381669 /nfs/dbraw/zinc/38/16/69/1337381669.db2.gz QDDYJLJXKXLMOR-ZBKUBXTQSA-N 1 3 349.906 2.884 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)C1CCC1 ZINC001366114441 1337384560 /nfs/dbraw/zinc/38/45/60/1337384560.db2.gz BZESBHIXQXWPSZ-PJIJBLCYSA-N 1 3 345.462 2.534 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001366120027 1337387464 /nfs/dbraw/zinc/38/74/64/1337387464.db2.gz YUHAOPQIDWXBFH-SHTZXODSSA-N 1 3 349.906 2.870 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)s1 ZINC001366132361 1337393659 /nfs/dbraw/zinc/39/36/59/1337393659.db2.gz UHUVCXCFYOIMDI-BRWVUGGUSA-N 1 3 337.533 2.688 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)C1)N(C)C ZINC001366134906 1337395327 /nfs/dbraw/zinc/39/53/27/1337395327.db2.gz MPCDDTUHHUGLQA-PLNCSYRRSA-N 1 3 339.430 2.603 20 0 EFADHO CCc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366175348 1337416727 /nfs/dbraw/zinc/41/67/27/1337416727.db2.gz BSPBCKQTFAJYIG-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366175348 1337416730 /nfs/dbraw/zinc/41/67/30/1337416730.db2.gz BSPBCKQTFAJYIG-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001366178905 1337419942 /nfs/dbraw/zinc/41/99/42/1337419942.db2.gz KOMKUZJBEQQXGI-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001366178905 1337419944 /nfs/dbraw/zinc/41/99/44/1337419944.db2.gz KOMKUZJBEQQXGI-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001366178999 1337420822 /nfs/dbraw/zinc/42/08/22/1337420822.db2.gz LBGFRYQRLCQPKB-PMACEKPBSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001366178999 1337420826 /nfs/dbraw/zinc/42/08/26/1337420826.db2.gz LBGFRYQRLCQPKB-PMACEKPBSA-N 1 3 345.531 2.788 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001366204646 1337441403 /nfs/dbraw/zinc/44/14/03/1337441403.db2.gz FCWMFGQJXNLEPF-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001366204646 1337441407 /nfs/dbraw/zinc/44/14/07/1337441407.db2.gz FCWMFGQJXNLEPF-IBGZPJMESA-N 1 3 331.504 2.889 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001366211223 1337447359 /nfs/dbraw/zinc/44/73/59/1337447359.db2.gz ZKMLVMHONRIKDK-APWZRJJASA-N 1 3 340.471 2.932 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001366211246 1337447424 /nfs/dbraw/zinc/44/74/24/1337447424.db2.gz ZKMLVMHONRIKDK-VQIMIIECSA-N 1 3 340.471 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001366242259 1337473193 /nfs/dbraw/zinc/47/31/93/1337473193.db2.gz IKFVIOPTGKIOTR-ACBHZAAOSA-N 1 3 349.494 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001366248873 1337476061 /nfs/dbraw/zinc/47/60/61/1337476061.db2.gz QCFCEXGPRKFYFA-RUXDESIVSA-N 1 3 337.430 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001366283256 1337489675 /nfs/dbraw/zinc/48/96/75/1337489675.db2.gz BDAWGLVPUZNJRY-CJNGLKHVSA-N 1 3 341.446 2.805 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001366326211 1337513786 /nfs/dbraw/zinc/51/37/86/1337513786.db2.gz PCKXRYLIINNECV-WFASDCNBSA-N 1 3 327.419 2.559 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001366329282 1337515555 /nfs/dbraw/zinc/51/55/55/1337515555.db2.gz SVDZHZYTTSOGML-BEFAXECRSA-N 1 3 327.472 2.774 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001366392735 1337555863 /nfs/dbraw/zinc/55/58/63/1337555863.db2.gz BHNORILVDKSKRT-IBGZPJMESA-N 1 3 345.531 2.917 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001366394574 1337556515 /nfs/dbraw/zinc/55/65/15/1337556515.db2.gz WCTIYQFIXFUJBN-GJZGRUSLSA-N 1 3 337.895 2.933 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC001366394574 1337556517 /nfs/dbraw/zinc/55/65/17/1337556517.db2.gz WCTIYQFIXFUJBN-GJZGRUSLSA-N 1 3 337.895 2.933 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001366405186 1337560921 /nfs/dbraw/zinc/56/09/21/1337560921.db2.gz GCFGGDPZKTXQPS-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1 ZINC001366410145 1337564105 /nfs/dbraw/zinc/56/41/05/1337564105.db2.gz OBGPVLUNEIPDLT-INIZCTEOSA-N 1 3 343.471 2.713 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001366425983 1337575773 /nfs/dbraw/zinc/57/57/73/1337575773.db2.gz IBGBXWCLVZQXEV-RTBURBONSA-N 1 3 331.504 2.588 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001366435581 1337584763 /nfs/dbraw/zinc/58/47/63/1337584763.db2.gz PUMQCSOQSQSXKA-ROUUACIJSA-N 1 3 347.478 2.827 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366453637 1337600656 /nfs/dbraw/zinc/60/06/56/1337600656.db2.gz YNZUWYDUZJTJCN-GOSISDBHSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001366490470 1337630880 /nfs/dbraw/zinc/63/08/80/1337630880.db2.gz SKHHORMVPUJGRC-IEBWSBKVSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001366504642 1337646589 /nfs/dbraw/zinc/64/65/89/1337646589.db2.gz GJYYBMGFJWQCKS-SUMWQHHRSA-N 1 3 341.446 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001366510437 1337650991 /nfs/dbraw/zinc/65/09/91/1337650991.db2.gz OJHZESXOLZFSPO-DOMZBBRYSA-N 1 3 345.940 2.972 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001366511381 1337652088 /nfs/dbraw/zinc/65/20/88/1337652088.db2.gz PWAKENZHJLMWQR-IEBWSBKVSA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001366514244 1337655422 /nfs/dbraw/zinc/65/54/22/1337655422.db2.gz YHGHEYDZHYALQU-VQIMIIECSA-N 1 3 331.504 2.890 20 0 EFADHO Cc1cc(C)c(CN(C)CCNC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001366559673 1337693742 /nfs/dbraw/zinc/69/37/42/1337693742.db2.gz QMQPSROCIMPKIA-UHFFFAOYSA-N 1 3 331.504 2.502 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001366569801 1337705685 /nfs/dbraw/zinc/70/56/85/1337705685.db2.gz HFNKCCCUFBNBDN-IBGZPJMESA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001366569801 1337705689 /nfs/dbraw/zinc/70/56/89/1337705689.db2.gz HFNKCCCUFBNBDN-IBGZPJMESA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001366581123 1337717353 /nfs/dbraw/zinc/71/73/53/1337717353.db2.gz RKZBHEYNGDOQHQ-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001366581123 1337717355 /nfs/dbraw/zinc/71/73/55/1337717355.db2.gz RKZBHEYNGDOQHQ-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001366581124 1337717818 /nfs/dbraw/zinc/71/78/18/1337717818.db2.gz RKZBHEYNGDOQHQ-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001366581124 1337717820 /nfs/dbraw/zinc/71/78/20/1337717820.db2.gz RKZBHEYNGDOQHQ-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCc2c1cccc2F ZINC001366616995 1337756549 /nfs/dbraw/zinc/75/65/49/1337756549.db2.gz RRFKNCITMUTTEQ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCc2c1cccc2F ZINC001366616995 1337756554 /nfs/dbraw/zinc/75/65/54/1337756554.db2.gz RRFKNCITMUTTEQ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001366718717 1337916624 /nfs/dbraw/zinc/91/66/24/1337916624.db2.gz GVTGJXKZXKKWMU-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](CCNC(=O)[C@@H](CC)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001366718717 1337916626 /nfs/dbraw/zinc/91/66/26/1337916626.db2.gz GVTGJXKZXKKWMU-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1csc(C)c1 ZINC001366722012 1337922065 /nfs/dbraw/zinc/92/20/65/1337922065.db2.gz VZOCJAXZOGGEPY-HNNXBMFYSA-N 1 3 337.533 2.727 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1csc(C)c1 ZINC001366722012 1337922070 /nfs/dbraw/zinc/92/20/70/1337922070.db2.gz VZOCJAXZOGGEPY-HNNXBMFYSA-N 1 3 337.533 2.727 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366746447 1337958743 /nfs/dbraw/zinc/95/87/43/1337958743.db2.gz UDEMDDMEGQOMEJ-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366746447 1337958744 /nfs/dbraw/zinc/95/87/44/1337958744.db2.gz UDEMDDMEGQOMEJ-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001366773465 1337993291 /nfs/dbraw/zinc/99/32/91/1337993291.db2.gz JDIHBFJXKBNQFN-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO C[C@H](NCCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001366808523 1338038802 /nfs/dbraw/zinc/03/88/02/1338038802.db2.gz FMZYTEANZDKZQP-HNNXBMFYSA-N 1 3 333.451 2.563 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366909875 1338195350 /nfs/dbraw/zinc/19/53/50/1338195350.db2.gz VFWOADSVHFSZMW-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001366975339 1338233594 /nfs/dbraw/zinc/23/35/94/1338233594.db2.gz AJOZVYCAZCLXIG-IEBWSBKVSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001367009285 1338263772 /nfs/dbraw/zinc/26/37/72/1338263772.db2.gz QLXCJEDVPXAMAZ-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001367009285 1338263775 /nfs/dbraw/zinc/26/37/75/1338263775.db2.gz QLXCJEDVPXAMAZ-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO CN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001367056203 1338323946 /nfs/dbraw/zinc/32/39/46/1338323946.db2.gz GEFVVSNWZPOJPA-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001367094080 1338379324 /nfs/dbraw/zinc/37/93/24/1338379324.db2.gz BUFSBHADSWXIRX-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001367117779 1338405979 /nfs/dbraw/zinc/40/59/79/1338405979.db2.gz KFQFUBQVZFLZEJ-WBVHZDCISA-N 1 3 331.460 2.757 20 0 EFADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccccc1F ZINC001367147109 1338441917 /nfs/dbraw/zinc/44/19/17/1338441917.db2.gz CQGKFMFILJKDFY-QGZVFWFLSA-N 1 3 335.467 2.686 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2csc(C)c2)CCCC1)N(C)C ZINC001367161976 1338460939 /nfs/dbraw/zinc/46/09/39/1338460939.db2.gz AGKVIRXYQYRTTK-MRXNPFEDSA-N 1 3 337.533 2.915 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001367182864 1338485609 /nfs/dbraw/zinc/48/56/09/1338485609.db2.gz OSYWZQXIFQTOBV-GUDVDZBRSA-N 1 3 331.504 2.586 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001367187284 1338490798 /nfs/dbraw/zinc/49/07/98/1338490798.db2.gz XNPZUHNKERIFOW-PKOBYXMFSA-N 1 3 335.467 2.540 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1ccccc1F ZINC001367229277 1338537040 /nfs/dbraw/zinc/53/70/40/1338537040.db2.gz YUDIVBTUCDJFQJ-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1ccccc1F ZINC001367229277 1338537043 /nfs/dbraw/zinc/53/70/43/1338537043.db2.gz YUDIVBTUCDJFQJ-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccc(F)cc1 ZINC001367243817 1338546592 /nfs/dbraw/zinc/54/65/92/1338546592.db2.gz LYZAMSNDIMDHGB-INIZCTEOSA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)C[NH2+]C[C@](C)(NC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001367248544 1338550327 /nfs/dbraw/zinc/55/03/27/1338550327.db2.gz VPJPWRKZLMMUDD-FQEVSTJZSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001367272893 1338571898 /nfs/dbraw/zinc/57/18/98/1338571898.db2.gz YXRMFWPLKBRZTN-QFBILLFUSA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001367285223 1338584798 /nfs/dbraw/zinc/58/47/98/1338584798.db2.gz GKTVYWNVDDBJDL-HNAYVOBHSA-N 1 3 333.520 2.794 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001367292255 1338592006 /nfs/dbraw/zinc/59/20/06/1338592006.db2.gz XQBZQBURTCGMII-YJBOKZPZSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001367439152 1338742125 /nfs/dbraw/zinc/74/21/25/1338742125.db2.gz IWRJECQWKFSDEN-QYLKWSRPSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001367451671 1338753578 /nfs/dbraw/zinc/75/35/78/1338753578.db2.gz RUSUIHDULZYQOB-GOSISDBHSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001367451671 1338753580 /nfs/dbraw/zinc/75/35/80/1338753580.db2.gz RUSUIHDULZYQOB-GOSISDBHSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)sc1C)C(C)C)N(C)C ZINC001367495301 1338794567 /nfs/dbraw/zinc/79/45/67/1338794567.db2.gz SPOHZRRSMWNODG-IRXDYDNUSA-N 1 3 339.549 2.936 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001367496355 1338795373 /nfs/dbraw/zinc/79/53/73/1338795373.db2.gz VSYMTFIMABIRET-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(Cl)c1)C(C)C)N(C)C ZINC001367496911 1338795399 /nfs/dbraw/zinc/79/53/99/1338795399.db2.gz XSINXZJHMNSWTE-SJORKVTESA-N 1 3 339.911 2.911 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C)cc1 ZINC001367496328 1338795628 /nfs/dbraw/zinc/79/56/28/1338795628.db2.gz VMPIETPAUGRHLA-OALUTQOASA-N 1 3 333.520 2.812 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001367548403 1338857476 /nfs/dbraw/zinc/85/74/76/1338857476.db2.gz UYLCDZUGHUXGJD-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001367548403 1338857477 /nfs/dbraw/zinc/85/74/77/1338857477.db2.gz UYLCDZUGHUXGJD-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CC1CC(C[N@H+](C)CCN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001367549268 1338858709 /nfs/dbraw/zinc/85/87/09/1338858709.db2.gz ALPKDZFWPVLTEC-UHFFFAOYSA-N 1 3 331.504 2.798 20 0 EFADHO CC1CC(C[N@@H+](C)CCN(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001367549268 1338858712 /nfs/dbraw/zinc/85/87/12/1338858712.db2.gz ALPKDZFWPVLTEC-UHFFFAOYSA-N 1 3 331.504 2.798 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001367552242 1338862991 /nfs/dbraw/zinc/86/29/91/1338862991.db2.gz DTGXPPRZSQUIKJ-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001367552242 1338862994 /nfs/dbraw/zinc/86/29/94/1338862994.db2.gz DTGXPPRZSQUIKJ-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C\Cl)C1)CC(C)(C)C ZINC001367553245 1338864231 /nfs/dbraw/zinc/86/42/31/1338864231.db2.gz HICTYEITTRHMRX-OXUBUWLOSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C\Cl)C1)CC(C)(C)C ZINC001367553245 1338864234 /nfs/dbraw/zinc/86/42/34/1338864234.db2.gz HICTYEITTRHMRX-OXUBUWLOSA-N 1 3 341.927 2.640 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001367559652 1338871786 /nfs/dbraw/zinc/87/17/86/1338871786.db2.gz GHVIFWQYSLXSSX-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001367676241 1338921515 /nfs/dbraw/zinc/92/15/15/1338921515.db2.gz MZTZLULMRXTFRW-MRXNPFEDSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001367708154 1338946325 /nfs/dbraw/zinc/94/63/25/1338946325.db2.gz IZLXATHSLUTVLU-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001367766397 1338991513 /nfs/dbraw/zinc/99/15/13/1338991513.db2.gz QNIMDALHYFPRPF-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)s1 ZINC001367820107 1339036966 /nfs/dbraw/zinc/03/69/66/1339036966.db2.gz HMLSRUOJZCDMEF-AWEZNQCLSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1CC[NH+](C)CC1 ZINC001367831512 1339047281 /nfs/dbraw/zinc/04/72/81/1339047281.db2.gz IIROEWGQLFCFJL-KUHUBIRLSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1CC[NH+](C)CC1 ZINC001367831517 1339047423 /nfs/dbraw/zinc/04/74/23/1339047423.db2.gz IIROEWGQLFCFJL-LIRRHRJNSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367845640 1339061871 /nfs/dbraw/zinc/06/18/71/1339061871.db2.gz OFFFCGHZEOHBBT-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367845640 1339061872 /nfs/dbraw/zinc/06/18/72/1339061872.db2.gz OFFFCGHZEOHBBT-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ncccc2c1 ZINC001367846846 1339063722 /nfs/dbraw/zinc/06/37/22/1339063722.db2.gz MOMYDWIAJYYJAJ-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001367846846 1339063723 /nfs/dbraw/zinc/06/37/23/1339063723.db2.gz MOMYDWIAJYYJAJ-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC/C=C/c1ccccc1 ZINC001367847955 1339064478 /nfs/dbraw/zinc/06/44/78/1339064478.db2.gz GXWYHBKFPMNXAZ-AYAUWGRQSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC/C=C/c1ccccc1 ZINC001367847955 1339064480 /nfs/dbraw/zinc/06/44/80/1339064480.db2.gz GXWYHBKFPMNXAZ-AYAUWGRQSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001367901091 1339095312 /nfs/dbraw/zinc/09/53/12/1339095312.db2.gz PGZJADATQMTLDY-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H](CNCc2ccccc2Cl)C2CC2)CC1 ZINC001367909547 1339100535 /nfs/dbraw/zinc/10/05/35/1339100535.db2.gz PZEYYXUIFUAKKO-QGZVFWFLSA-N 1 3 349.906 2.666 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H](CNCc2ccccc2Cl)C2CC2)CC1 ZINC001367909546 1339100650 /nfs/dbraw/zinc/10/06/50/1339100650.db2.gz PZEYYXUIFUAKKO-KRWDZBQOSA-N 1 3 349.906 2.666 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986723 1339145515 /nfs/dbraw/zinc/14/55/15/1339145515.db2.gz SXJKDGDTWQOAGK-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986723 1339145517 /nfs/dbraw/zinc/14/55/17/1339145517.db2.gz SXJKDGDTWQOAGK-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)cc1 ZINC001367997317 1339149862 /nfs/dbraw/zinc/14/98/62/1339149862.db2.gz NAZNEKGPLCVKBX-SFHVURJKSA-N 1 3 329.488 2.606 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c(C)s1 ZINC001368001500 1339151358 /nfs/dbraw/zinc/15/13/58/1339151358.db2.gz FLMZPPBTJSDUFY-UHFFFAOYSA-N 1 3 335.517 2.588 20 0 EFADHO C[C@@H](C(=O)NCC1(NCc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC001368031034 1339166241 /nfs/dbraw/zinc/16/62/41/1339166241.db2.gz KQWYEYLOGJLYPB-INIZCTEOSA-N 1 3 347.478 2.829 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](CCF)C2CCCCCC2)CCC1 ZINC001368044374 1339173409 /nfs/dbraw/zinc/17/34/09/1339173409.db2.gz IRFUYZYDRHAQPT-UHFFFAOYSA-N 1 3 327.488 2.581 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](CCF)C2CCCCCC2)CCC1 ZINC001368044374 1339173411 /nfs/dbraw/zinc/17/34/11/1339173411.db2.gz IRFUYZYDRHAQPT-UHFFFAOYSA-N 1 3 327.488 2.581 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(C/C=C\Cl)C2CCCCCC2)C1 ZINC001368052158 1339177905 /nfs/dbraw/zinc/17/79/05/1339177905.db2.gz SWORHBVNGCKMKJ-CXSQMQJXSA-N 1 3 341.927 2.832 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCN(C/C=C\Cl)C2CCCCCC2)C1 ZINC001368052158 1339177908 /nfs/dbraw/zinc/17/79/08/1339177908.db2.gz SWORHBVNGCKMKJ-CXSQMQJXSA-N 1 3 341.927 2.832 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001368060462 1339182512 /nfs/dbraw/zinc/18/25/12/1339182512.db2.gz WXCQQBIJRQWORJ-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001368060462 1339182513 /nfs/dbraw/zinc/18/25/13/1339182513.db2.gz WXCQQBIJRQWORJ-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069376 1339185880 /nfs/dbraw/zinc/18/58/80/1339185880.db2.gz VAIAQCLZGPAZDB-YLJYHZDGSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069376 1339185882 /nfs/dbraw/zinc/18/58/82/1339185882.db2.gz VAIAQCLZGPAZDB-YLJYHZDGSA-N 1 3 346.519 2.949 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001368178103 1339238159 /nfs/dbraw/zinc/23/81/59/1339238159.db2.gz MCGFDRVOUFRVJB-FQEVSTJZSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2cccc(OC)c2)C1 ZINC001368178103 1339238162 /nfs/dbraw/zinc/23/81/62/1339238162.db2.gz MCGFDRVOUFRVJB-FQEVSTJZSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001368202459 1339253054 /nfs/dbraw/zinc/25/30/54/1339253054.db2.gz VFFVZICTLVQJIH-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001368333787 1339302594 /nfs/dbraw/zinc/30/25/94/1339302594.db2.gz DXDWKPCBCCRWCD-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363602 1339316579 /nfs/dbraw/zinc/31/65/79/1339316579.db2.gz LCLOQKJUCFVWAB-INDMIFKZSA-N 1 3 337.552 2.645 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363602 1339316581 /nfs/dbraw/zinc/31/65/81/1339316581.db2.gz LCLOQKJUCFVWAB-INDMIFKZSA-N 1 3 337.552 2.645 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001368367325 1339317919 /nfs/dbraw/zinc/31/79/19/1339317919.db2.gz YHJJYZGBZFAXHU-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC001368367325 1339317922 /nfs/dbraw/zinc/31/79/22/1339317922.db2.gz YHJJYZGBZFAXHU-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368518132 1339453190 /nfs/dbraw/zinc/45/31/90/1339453190.db2.gz QVEOXKBCMRZEBS-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001368518132 1339453193 /nfs/dbraw/zinc/45/31/93/1339453193.db2.gz QVEOXKBCMRZEBS-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001368518406 1339454117 /nfs/dbraw/zinc/45/41/17/1339454117.db2.gz COBZPECLGUVLAS-AFIMGQEJSA-N 1 3 335.467 2.711 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001368522711 1339458760 /nfs/dbraw/zinc/45/87/60/1339458760.db2.gz FKDFUSRITGNQRB-YFSAEIHFSA-N 1 3 343.515 2.770 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)CCc2cccs2)CCC1 ZINC001368544949 1339483018 /nfs/dbraw/zinc/48/30/18/1339483018.db2.gz FBDAJVLTVVLIIF-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)CCc2cccs2)CCC1 ZINC001368544949 1339483021 /nfs/dbraw/zinc/48/30/21/1339483021.db2.gz FBDAJVLTVVLIIF-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001368556879 1339498479 /nfs/dbraw/zinc/49/84/79/1339498479.db2.gz LYDHCYTWNXNQPE-SFHVURJKSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001368556879 1339498483 /nfs/dbraw/zinc/49/84/83/1339498483.db2.gz LYDHCYTWNXNQPE-SFHVURJKSA-N 1 3 345.531 2.926 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001368577894 1339527317 /nfs/dbraw/zinc/52/73/17/1339527317.db2.gz BZGSKRCNAMUYNM-PBWTXFEYSA-N 1 3 331.504 2.818 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001368705044 1339624972 /nfs/dbraw/zinc/62/49/72/1339624972.db2.gz KPTBYQYTBFTXRS-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001368705044 1339624977 /nfs/dbraw/zinc/62/49/77/1339624977.db2.gz KPTBYQYTBFTXRS-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001368718249 1339638304 /nfs/dbraw/zinc/63/83/04/1339638304.db2.gz OZMGFASJTUWBOZ-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001370306859 1340024989 /nfs/dbraw/zinc/02/49/89/1340024989.db2.gz YFBSUWWHLNPPHT-GOSISDBHSA-N 1 3 349.494 2.544 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2F)C1)N(C)C ZINC001370490725 1340100303 /nfs/dbraw/zinc/10/03/03/1340100303.db2.gz OLBOPYPYIJDXTH-LSCFUAHRSA-N 1 3 339.430 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001370778663 1340206422 /nfs/dbraw/zinc/20/64/22/1340206422.db2.gz FKMOOLYHQUVQLJ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001370778663 1340206427 /nfs/dbraw/zinc/20/64/27/1340206427.db2.gz FKMOOLYHQUVQLJ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001370779960 1340207537 /nfs/dbraw/zinc/20/75/37/1340207537.db2.gz GFJWDYHHHYYOOS-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2cc(F)ccc2C)C1 ZINC001370779960 1340207540 /nfs/dbraw/zinc/20/75/40/1340207540.db2.gz GFJWDYHHHYYOOS-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1ccccc1CN1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001370883861 1340257298 /nfs/dbraw/zinc/25/72/98/1340257298.db2.gz KDNNLFXWKSDBNV-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919403 1340284998 /nfs/dbraw/zinc/28/49/98/1340284998.db2.gz ZDOARLCHNBMFEM-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919403 1340285000 /nfs/dbraw/zinc/28/50/00/1340285000.db2.gz ZDOARLCHNBMFEM-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001371360979 1340528222 /nfs/dbraw/zinc/52/82/22/1340528222.db2.gz FLXNHSLUNCPEOZ-KBXCAEBGSA-N 1 3 349.494 2.885 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001371432460 1340586866 /nfs/dbraw/zinc/58/68/66/1340586866.db2.gz TYDDOPAESZKPAG-HNAYVOBHSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001371432456 1340586876 /nfs/dbraw/zinc/58/68/76/1340586876.db2.gz TYDDOPAESZKPAG-DNVCBOLYSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1Cl ZINC001371528300 1340634184 /nfs/dbraw/zinc/63/41/84/1340634184.db2.gz DCIRDMZRLWTDPX-GJZGRUSLSA-N 1 3 349.906 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](CC)c2ccccc2)C1 ZINC001371627755 1340683871 /nfs/dbraw/zinc/68/38/71/1340683871.db2.gz XTJITMPWIKPCJU-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001371659817 1340686750 /nfs/dbraw/zinc/68/67/50/1340686750.db2.gz OZLPFYXXAMECMS-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1sccc1Cl)N(C)C ZINC001371824925 1340702982 /nfs/dbraw/zinc/70/29/82/1340702982.db2.gz HGYREFRJOLPOMO-IUODEOHRSA-N 1 3 345.940 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001371869940 1340731153 /nfs/dbraw/zinc/73/11/53/1340731153.db2.gz QAXMECOQAKWKOB-JXFKEZNVSA-N 1 3 345.531 2.746 20 0 EFADHO C[NH+](C)CCCC(=O)NCCN(C1CC1)[C@@H]1CCc2c1cccc2F ZINC001372864461 1340851621 /nfs/dbraw/zinc/85/16/21/1340851621.db2.gz QWKASJSJVDZNLI-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001373118455 1340914012 /nfs/dbraw/zinc/91/40/12/1340914012.db2.gz DWAVIYYURITLPK-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001373203592 1340946816 /nfs/dbraw/zinc/94/68/16/1340946816.db2.gz YFWDGWXRLJAXNO-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001373203592 1340946817 /nfs/dbraw/zinc/94/68/17/1340946817.db2.gz YFWDGWXRLJAXNO-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001373236564 1340961845 /nfs/dbraw/zinc/96/18/45/1340961845.db2.gz LNFJCHFXBXLGPU-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1 ZINC001373236564 1340961846 /nfs/dbraw/zinc/96/18/46/1340961846.db2.gz LNFJCHFXBXLGPU-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCc2ccccc2F)C1)N(C)C ZINC001373242022 1340964402 /nfs/dbraw/zinc/96/44/02/1340964402.db2.gz YGVWNNXHJLWOEG-APWZRJJASA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCc2ccccc2F)C1)N(C)C ZINC001373242022 1340964403 /nfs/dbraw/zinc/96/44/03/1340964403.db2.gz YGVWNNXHJLWOEG-APWZRJJASA-N 1 3 349.494 2.537 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001373381344 1341005858 /nfs/dbraw/zinc/00/58/58/1341005858.db2.gz HEGGPUXCYWNCEN-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)ccc1C ZINC001373805960 1341155863 /nfs/dbraw/zinc/15/58/63/1341155863.db2.gz YVSOZYOBYPUCBW-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001373818630 1341161042 /nfs/dbraw/zinc/16/10/42/1341161042.db2.gz NHVJFIZJIDBFBI-ROUUACIJSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1C ZINC001373818627 1341161095 /nfs/dbraw/zinc/16/10/95/1341161095.db2.gz NHVJFIZJIDBFBI-MSOLQXFVSA-N 1 3 337.483 2.705 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001373823213 1341163344 /nfs/dbraw/zinc/16/33/44/1341163344.db2.gz VQUHLIIOFGOSPO-YPMHNXCESA-N 1 3 331.913 2.726 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(C)cc2)CCCC1 ZINC001373860330 1341178425 /nfs/dbraw/zinc/17/84/25/1341178425.db2.gz KICXNSWQWSPNGI-UHFFFAOYSA-N 1 3 331.504 2.855 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cs1 ZINC001374014103 1341302946 /nfs/dbraw/zinc/30/29/46/1341302946.db2.gz NPSNBZGHLNIUBQ-YOEHRIQHSA-N 1 3 337.533 2.771 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374025078 1341313350 /nfs/dbraw/zinc/31/33/50/1341313350.db2.gz IWPPRNGGQUUMAV-YOEHRIQHSA-N 1 3 339.911 2.768 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001374028885 1341317643 /nfs/dbraw/zinc/31/76/43/1341317643.db2.gz SLFLIHXVJKIITG-KXBFYZLASA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001374072893 1341364514 /nfs/dbraw/zinc/36/45/14/1341364514.db2.gz HYGCEFOYVNKSSF-WBMJQRKESA-N 1 3 325.522 2.547 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001374072319 1341364519 /nfs/dbraw/zinc/36/45/19/1341364519.db2.gz LJURSKHTZYBMPG-OXJNMPFZSA-N 1 3 345.531 2.603 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374080935 1341374634 /nfs/dbraw/zinc/37/46/34/1341374634.db2.gz JMKRKFVXNSVRLO-LPHOPBHVSA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccccc2F)CCCC1)N(C)C ZINC001374177776 1341516984 /nfs/dbraw/zinc/51/69/84/1341516984.db2.gz HXFCKTXYOSCYFM-GOSISDBHSA-N 1 3 349.494 2.727 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001374232359 1341584844 /nfs/dbraw/zinc/58/48/44/1341584844.db2.gz JDJJTWSWSATNMM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)cc1C ZINC001374233371 1341586480 /nfs/dbraw/zinc/58/64/80/1341586480.db2.gz MWACZEZZXUEKLL-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001374248310 1341606323 /nfs/dbraw/zinc/60/63/23/1341606323.db2.gz ZFODPBUULGEGQC-DYVFJYSZSA-N 1 3 339.549 2.888 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001374311562 1341699648 /nfs/dbraw/zinc/69/96/48/1341699648.db2.gz HMPASUDHEMHSLN-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001392233054 1355888810 /nfs/dbraw/zinc/88/88/10/1355888810.db2.gz MIBOYFNBNNXCTO-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001374376923 1341825606 /nfs/dbraw/zinc/82/56/06/1341825606.db2.gz JOMDAVWWKYTSGQ-GXTWGEPZSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC001374389195 1341841575 /nfs/dbraw/zinc/84/15/75/1341841575.db2.gz XFHMJJBJDJDUHK-RHSMWYFYSA-N 1 3 337.533 2.725 20 0 EFADHO C[C@@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)C1(N(C)C)CCC1 ZINC001392567976 1356126534 /nfs/dbraw/zinc/12/65/34/1356126534.db2.gz NUMWZAMHFYUWLL-AWEZNQCLSA-N 1 3 329.444 2.511 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCCc2ccsc2)CCC1 ZINC001374498698 1341982477 /nfs/dbraw/zinc/98/24/77/1341982477.db2.gz GYOSAMFDYGNYJM-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCCc2ccsc2)CCC1 ZINC001374498698 1341982480 /nfs/dbraw/zinc/98/24/80/1341982480.db2.gz GYOSAMFDYGNYJM-UHFFFAOYSA-N 1 3 337.533 2.555 20 0 EFADHO C[C@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392694901 1356248907 /nfs/dbraw/zinc/24/89/07/1356248907.db2.gz ORARSUKJHJCRIH-KDOFPFPSSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001374557694 1342070311 /nfs/dbraw/zinc/07/03/11/1342070311.db2.gz OPRQNJCBYDMQMF-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001374557694 1342070313 /nfs/dbraw/zinc/07/03/13/1342070313.db2.gz OPRQNJCBYDMQMF-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2CNC/C(Cl)=C\Cl)CC1 ZINC001374575162 1342085538 /nfs/dbraw/zinc/08/55/38/1342085538.db2.gz RZQIWPCVRRPCHH-FBLKXBDISA-N 1 3 348.318 2.522 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc2c(c1)CCC2)C(=O)[C@H]1CCCN1C ZINC001374718752 1342135812 /nfs/dbraw/zinc/13/58/12/1342135812.db2.gz FRLWCKMZLMMUCL-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)CN(C)C2CCC2)c(C)c1 ZINC001374770344 1342161042 /nfs/dbraw/zinc/16/10/42/1342161042.db2.gz HWRNBWCXQGHVMV-QGZVFWFLSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001374813533 1342185716 /nfs/dbraw/zinc/18/57/16/1342185716.db2.gz HSWBWGAKNMDCAV-CYBMUJFWSA-N 1 3 341.446 2.537 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001374935190 1342251185 /nfs/dbraw/zinc/25/11/85/1342251185.db2.gz IZCMLFWVGPUSGG-KXBFYZLASA-N 1 3 327.472 2.774 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001375051190 1342351736 /nfs/dbraw/zinc/35/17/36/1342351736.db2.gz ASMIWQLLUZMQKK-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc(CF)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001375051190 1342351742 /nfs/dbraw/zinc/35/17/42/1342351742.db2.gz ASMIWQLLUZMQKK-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052740 1342353524 /nfs/dbraw/zinc/35/35/24/1342353524.db2.gz DJIRATXZFLAJPO-SDMNGIDPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](C[N@@H+](C)C/C=C\c1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001375052740 1342353526 /nfs/dbraw/zinc/35/35/26/1342353526.db2.gz DJIRATXZFLAJPO-SDMNGIDPSA-N 1 3 329.488 2.621 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001375092621 1342401597 /nfs/dbraw/zinc/40/15/97/1342401597.db2.gz CVFKUQQFMIEFDA-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001375092621 1342401599 /nfs/dbraw/zinc/40/15/99/1342401599.db2.gz CVFKUQQFMIEFDA-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001375178805 1342494145 /nfs/dbraw/zinc/49/41/45/1342494145.db2.gz WRZUCXYGNZGTKU-IAGOWNOFSA-N 1 3 334.508 2.961 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001375231382 1342534367 /nfs/dbraw/zinc/53/43/67/1342534367.db2.gz AOWAKYTUIUKWJC-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc2ccccc2o1)C1CC1)N(C)C ZINC001375258323 1342562741 /nfs/dbraw/zinc/56/27/41/1342562741.db2.gz OFZWIORTNVJDRX-ROUUACIJSA-N 1 3 343.471 2.757 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C1CC1)N(C)C ZINC001375272893 1342579695 /nfs/dbraw/zinc/57/96/95/1342579695.db2.gz PRADBEWDABCZJS-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CC1)N1CCCCC1 ZINC001375422393 1342725911 /nfs/dbraw/zinc/72/59/11/1342725911.db2.gz SIJTUCWYRJPRAT-UHFFFAOYSA-N 1 3 343.462 2.535 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(CC)c2)CC1 ZINC001375425262 1342728062 /nfs/dbraw/zinc/72/80/62/1342728062.db2.gz NVTYSERPNNHXIJ-LJQANCHMSA-N 1 3 343.515 2.862 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)cc1C ZINC001375430343 1342733912 /nfs/dbraw/zinc/73/39/12/1342733912.db2.gz YYWQSTZVLDUWGT-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C(C)C)CC1)N(C)C ZINC001375489462 1342795543 /nfs/dbraw/zinc/79/55/43/1342795543.db2.gz FOCVZCMARMPFDX-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001375500576 1342806827 /nfs/dbraw/zinc/80/68/27/1342806827.db2.gz PGERZIFSGCPZHV-UWWQBHOKSA-N 1 3 343.471 2.757 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001375512146 1342819142 /nfs/dbraw/zinc/81/91/42/1342819142.db2.gz NENQBZKFXYBYJX-AYOQOUSVSA-N 1 3 349.494 2.705 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001375538257 1342850211 /nfs/dbraw/zinc/85/02/11/1342850211.db2.gz SYKGYNQJGMUZIE-BJLQDIEVSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC001375548051 1342862375 /nfs/dbraw/zinc/86/23/75/1342862375.db2.gz BMHHCLSRFUQRQJ-OWQGQXMQSA-N 1 3 349.544 2.691 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001375559511 1342875026 /nfs/dbraw/zinc/87/50/26/1342875026.db2.gz WRFOSTPLGWSQAZ-BJLQDIEVSA-N 1 3 345.531 2.936 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C/C=C/Cl)CC2CC2)CC1)N(C)C ZINC001375599126 1342917811 /nfs/dbraw/zinc/91/78/11/1342917811.db2.gz UNFAMDNESSRKQB-JSNVTFDYSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C/C=C/Cl)CC2CC2)CC1)N(C)C ZINC001375599126 1342917815 /nfs/dbraw/zinc/91/78/15/1342917815.db2.gz UNFAMDNESSRKQB-JSNVTFDYSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCc2cccs2)CC1)N(C)C ZINC001375777678 1342999608 /nfs/dbraw/zinc/99/96/08/1342999608.db2.gz FVRVQGJWZWXMPO-INIZCTEOSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001375874235 1343119936 /nfs/dbraw/zinc/11/99/36/1343119936.db2.gz GLQYUJGXGNIYBL-PXNSSMCTSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001375874989 1343121029 /nfs/dbraw/zinc/12/10/29/1343121029.db2.gz LPAVKLAQULEZSN-OAQYLSRUSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001375875481 1343121734 /nfs/dbraw/zinc/12/17/34/1343121734.db2.gz QBUWHKGICHTLNG-GOSISDBHSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1NCC=C(Cl)Cl ZINC001393736361 1357114365 /nfs/dbraw/zinc/11/43/65/1357114365.db2.gz ABKVHWQQUCWECG-KBPBESRZSA-N 1 3 348.318 2.618 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2sccc2Cl)C1 ZINC001393741152 1357117678 /nfs/dbraw/zinc/11/76/78/1357117678.db2.gz CQFKIWMSKFWHPD-OCCSQVGLSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2sccc2Cl)C1 ZINC001393741152 1357117680 /nfs/dbraw/zinc/11/76/80/1357117680.db2.gz CQFKIWMSKFWHPD-OCCSQVGLSA-N 1 3 343.924 2.680 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001376021550 1343265403 /nfs/dbraw/zinc/26/54/03/1343265403.db2.gz ZHJQETRODSENSJ-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001376061665 1343294491 /nfs/dbraw/zinc/29/44/91/1343294491.db2.gz STDXDLLXVPXTGW-HKUYNNGSSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001376076778 1343310046 /nfs/dbraw/zinc/31/00/46/1343310046.db2.gz XRGXKXQVFFWRSG-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H](c1ccc2c(c1)CCC2)N1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376151385 1343357741 /nfs/dbraw/zinc/35/77/41/1343357741.db2.gz NUIJMBZXYQOXJX-OXJNMPFZSA-N 1 3 343.515 2.769 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001376160067 1343364927 /nfs/dbraw/zinc/36/49/27/1343364927.db2.gz XMDSGZAXWNSSFQ-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001376166814 1343369920 /nfs/dbraw/zinc/36/99/20/1343369920.db2.gz QWJFAJYJDSGIHU-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC12CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC001376173637 1343374008 /nfs/dbraw/zinc/37/40/08/1343374008.db2.gz OJCRLLDFSUPBTK-OALUTQOASA-N 1 3 343.515 2.744 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001376175430 1343375694 /nfs/dbraw/zinc/37/56/94/1343375694.db2.gz CXLBCWFQBUKESX-MAUKXSAKSA-N 1 3 346.519 2.914 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc3ccccc3o2)C1 ZINC001393752674 1357126162 /nfs/dbraw/zinc/12/61/62/1357126162.db2.gz VPEHAQISMKKAET-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc3ccccc3o2)C1 ZINC001393752674 1357126164 /nfs/dbraw/zinc/12/61/64/1357126164.db2.gz VPEHAQISMKKAET-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001376211967 1343402193 /nfs/dbraw/zinc/40/21/93/1343402193.db2.gz GWAVNIIAVVCVOA-QGZVFWFLSA-N 1 3 335.517 2.525 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001376278584 1343448732 /nfs/dbraw/zinc/44/87/32/1343448732.db2.gz BKTUUJVKVINURM-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1)CC(C)(C)C ZINC001376278584 1343448735 /nfs/dbraw/zinc/44/87/35/1343448735.db2.gz BKTUUJVKVINURM-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(CC[NH2+]C(C)C)Cc1ccccc1 ZINC001376380012 1343533525 /nfs/dbraw/zinc/53/35/25/1343533525.db2.gz REWMVIOROSRHDD-LJQANCHMSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1)N(C)C ZINC001376401780 1343556635 /nfs/dbraw/zinc/55/66/35/1343556635.db2.gz VECXUUFQBJCEMO-OQNFGNQXSA-N 1 3 349.906 2.930 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507383 1343634548 /nfs/dbraw/zinc/63/45/48/1343634548.db2.gz FNODKCZUNAMOTI-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507383 1343634550 /nfs/dbraw/zinc/63/45/50/1343634550.db2.gz FNODKCZUNAMOTI-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507401 1343634753 /nfs/dbraw/zinc/63/47/53/1343634753.db2.gz FNODKCZUNAMOTI-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507401 1343634754 /nfs/dbraw/zinc/63/47/54/1343634754.db2.gz FNODKCZUNAMOTI-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001393768233 1357139702 /nfs/dbraw/zinc/13/97/02/1357139702.db2.gz ZSPVHONCYHMVRO-IBGZPJMESA-N 1 3 345.531 2.743 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCc2ccccc2)CCC1 ZINC001376738578 1343794922 /nfs/dbraw/zinc/79/49/22/1343794922.db2.gz YMYCZXYAFCDNSU-LJQANCHMSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCc2ccccc2)CCC1 ZINC001376738573 1343794941 /nfs/dbraw/zinc/79/49/41/1343794941.db2.gz YMYCZXYAFCDNSU-IBGZPJMESA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CCc2cccs2)CCC1 ZINC001376738584 1343794974 /nfs/dbraw/zinc/79/49/74/1343794974.db2.gz YPOQYVODYBDARU-KRWDZBQOSA-N 1 3 349.544 2.792 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001376812701 1343864356 /nfs/dbraw/zinc/86/43/56/1343864356.db2.gz QQTKBSYIRFMFHB-LSDHHAIUSA-N 1 3 337.483 2.959 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCc1cccc(F)c1 ZINC001376848406 1343889422 /nfs/dbraw/zinc/88/94/22/1343889422.db2.gz ZRYCSPZLYOYHAU-OAHLLOKOSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1cccc(F)c1 ZINC001376875992 1343912145 /nfs/dbraw/zinc/91/21/45/1343912145.db2.gz GLOONDUKTQKOSV-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1ccccc1 ZINC001393787173 1357156249 /nfs/dbraw/zinc/15/62/49/1357156249.db2.gz RAFTUZIEBWBVCN-MJGOQNOKSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1ccccc1 ZINC001393787173 1357156250 /nfs/dbraw/zinc/15/62/50/1357156250.db2.gz RAFTUZIEBWBVCN-MJGOQNOKSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912680 1343951344 /nfs/dbraw/zinc/95/13/44/1343951344.db2.gz VNHOFQOAGVWUBJ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912680 1343951346 /nfs/dbraw/zinc/95/13/46/1343951346.db2.gz VNHOFQOAGVWUBJ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912179 1343951458 /nfs/dbraw/zinc/95/14/58/1343951458.db2.gz UNVSEDQPAILHDK-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912179 1343951461 /nfs/dbraw/zinc/95/14/61/1343951461.db2.gz UNVSEDQPAILHDK-MJGOQNOKSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C)cs1 ZINC001393788956 1357158156 /nfs/dbraw/zinc/15/81/56/1357158156.db2.gz VFTQDVWULLMQKF-WMLDXEAASA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001376945500 1343976685 /nfs/dbraw/zinc/97/66/85/1343976685.db2.gz KBQQKWFQKIFWNY-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001376945500 1343976690 /nfs/dbraw/zinc/97/66/90/1343976690.db2.gz KBQQKWFQKIFWNY-RTBURBONSA-N 1 3 349.494 2.934 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001376967989 1343996195 /nfs/dbraw/zinc/99/61/95/1343996195.db2.gz VEEISZHBSDNAAV-MOPGFXCFSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001376967990 1343996242 /nfs/dbraw/zinc/99/62/42/1343996242.db2.gz VEEISZHBSDNAAV-OALUTQOASA-N 1 3 343.515 2.996 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccc(C)cc2)[C@H](C)C1 ZINC001393790432 1357161352 /nfs/dbraw/zinc/16/13/52/1357161352.db2.gz URHILXWLUZOLNB-UYAOXDASSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@H](C)C1 ZINC001393790432 1357161357 /nfs/dbraw/zinc/16/13/57/1357161357.db2.gz URHILXWLUZOLNB-UYAOXDASSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001377003531 1344048098 /nfs/dbraw/zinc/04/80/98/1344048098.db2.gz KBQQKWFQKIFWNY-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001377003531 1344048101 /nfs/dbraw/zinc/04/81/01/1344048101.db2.gz KBQQKWFQKIFWNY-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO Cc1ccncc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)N1CCCCC1 ZINC001377028852 1344075764 /nfs/dbraw/zinc/07/57/64/1344075764.db2.gz RAJCBUMMXIOBGL-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001377193064 1344144609 /nfs/dbraw/zinc/14/46/09/1344144609.db2.gz YOGMQMSMSCSLLR-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001377193064 1344144612 /nfs/dbraw/zinc/14/46/12/1344144612.db2.gz YOGMQMSMSCSLLR-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(CF)cc1 ZINC001377307190 1344148083 /nfs/dbraw/zinc/14/80/83/1344148083.db2.gz MWBRLICVTQLVAF-LJQANCHMSA-N 1 3 349.494 2.967 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(CF)cc1 ZINC001377307190 1344148085 /nfs/dbraw/zinc/14/80/85/1344148085.db2.gz MWBRLICVTQLVAF-LJQANCHMSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001377396668 1344159209 /nfs/dbraw/zinc/15/92/09/1344159209.db2.gz VPJRPAGDDALFGF-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001377396668 1344159213 /nfs/dbraw/zinc/15/92/13/1344159213.db2.gz VPJRPAGDDALFGF-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+]([C@@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001377552072 1344170056 /nfs/dbraw/zinc/17/00/56/1344170056.db2.gz DKFKFWFNYPOXTA-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+]([C@@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001377552072 1344170060 /nfs/dbraw/zinc/17/00/60/1344170060.db2.gz DKFKFWFNYPOXTA-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001377624074 1344233589 /nfs/dbraw/zinc/23/35/89/1344233589.db2.gz VNBLSCDDHSCNHV-CYBMUJFWSA-N 1 3 349.441 2.640 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001377720336 1344368054 /nfs/dbraw/zinc/36/80/54/1344368054.db2.gz BBEVMFNBXHTPCK-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001377720336 1344368059 /nfs/dbraw/zinc/36/80/59/1344368059.db2.gz BBEVMFNBXHTPCK-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001377721611 1344369234 /nfs/dbraw/zinc/36/92/34/1344369234.db2.gz LZZOAIUOSBPBMW-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001377721611 1344369237 /nfs/dbraw/zinc/36/92/37/1344369237.db2.gz LZZOAIUOSBPBMW-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@H+](C)CCF)CC2)c1 ZINC001377793365 1344447331 /nfs/dbraw/zinc/44/73/31/1344447331.db2.gz VWAWUUYHCFBINM-UHFFFAOYSA-N 1 3 335.467 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(C[N@@H+](C)CCF)CC2)c1 ZINC001377793365 1344447333 /nfs/dbraw/zinc/44/73/33/1344447333.db2.gz VWAWUUYHCFBINM-UHFFFAOYSA-N 1 3 335.467 2.502 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001393828240 1357191977 /nfs/dbraw/zinc/19/19/77/1357191977.db2.gz PFMLXTANSIHLKP-YJBOKZPZSA-N 1 3 337.483 2.705 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001377975088 1344629542 /nfs/dbraw/zinc/62/95/42/1344629542.db2.gz MFQOPEKFTPSUPW-APWZRJJASA-N 1 3 331.504 2.690 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001378060532 1344713051 /nfs/dbraw/zinc/71/30/51/1344713051.db2.gz AUZZGDGCQDIXJT-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001378060532 1344713054 /nfs/dbraw/zinc/71/30/54/1344713054.db2.gz AUZZGDGCQDIXJT-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001378063323 1344715766 /nfs/dbraw/zinc/71/57/66/1344715766.db2.gz ISYHODFNXGEPBE-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001378063323 1344715771 /nfs/dbraw/zinc/71/57/71/1344715771.db2.gz ISYHODFNXGEPBE-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001378074596 1344731080 /nfs/dbraw/zinc/73/10/80/1344731080.db2.gz DVGJDJONYDWQME-DFQSSKMNSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001378074596 1344731083 /nfs/dbraw/zinc/73/10/83/1344731083.db2.gz DVGJDJONYDWQME-DFQSSKMNSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)c1 ZINC001378137587 1344800990 /nfs/dbraw/zinc/80/09/90/1344800990.db2.gz WHDQACQSNNDGJW-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001378181872 1344854279 /nfs/dbraw/zinc/85/42/79/1344854279.db2.gz LDWLXUPYFSUFOF-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001378181872 1344854281 /nfs/dbraw/zinc/85/42/81/1344854281.db2.gz LDWLXUPYFSUFOF-PMACEKPBSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001378246445 1344927318 /nfs/dbraw/zinc/92/73/18/1344927318.db2.gz BNQQSJGCPPDDQJ-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001378437669 1345076036 /nfs/dbraw/zinc/07/60/36/1345076036.db2.gz IKFVIOPTGKIOTR-FHWLQOOXSA-N 1 3 349.494 2.929 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1sccc1Cl ZINC001378564210 1345166246 /nfs/dbraw/zinc/16/62/46/1345166246.db2.gz HEJROGHHCYXEDS-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001378603277 1345192464 /nfs/dbraw/zinc/19/24/64/1345192464.db2.gz HCSHENTWUBJHSM-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(F)cccc1Cl)N(C)C ZINC001378617577 1345201447 /nfs/dbraw/zinc/20/14/47/1345201447.db2.gz UQJDPUWPLVJWIU-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC2CCC2)CCC1 ZINC001393869659 1357230005 /nfs/dbraw/zinc/23/00/05/1357230005.db2.gz JJXMZQOOLJOSNO-RTBURBONSA-N 1 3 341.499 2.643 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2csc(C)c2)CCCC1)N(C)C ZINC001378689853 1345251359 /nfs/dbraw/zinc/25/13/59/1345251359.db2.gz MEAONBUANJKIGQ-MRXNPFEDSA-N 1 3 337.533 2.915 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCCC2)cc1 ZINC001378690631 1345252357 /nfs/dbraw/zinc/25/23/57/1345252357.db2.gz GNGGMGOAQBMWJL-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO O=C(NCC1(NCCF)CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001378696298 1345256582 /nfs/dbraw/zinc/25/65/82/1345256582.db2.gz PSAXWPJZZHCMDW-MRXNPFEDSA-N 1 3 339.499 2.629 20 0 EFADHO O=C(NCC1(NCCF)CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001378696298 1345256584 /nfs/dbraw/zinc/25/65/84/1345256584.db2.gz PSAXWPJZZHCMDW-MRXNPFEDSA-N 1 3 339.499 2.629 20 0 EFADHO COc1ccc(C)cc1CNC[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378840365 1345353313 /nfs/dbraw/zinc/35/33/13/1345353313.db2.gz FXYDOKHFQPWDQS-QFBILLFUSA-N 1 3 349.519 2.526 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001378846473 1345359180 /nfs/dbraw/zinc/35/91/80/1345359180.db2.gz RGUNYCQDRZYDFR-WBMJQRKESA-N 1 3 343.874 2.756 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1 ZINC001378921019 1345426629 /nfs/dbraw/zinc/42/66/29/1345426629.db2.gz KNSKOJDOFKEOHL-JSNVTFDYSA-N 1 3 341.927 2.784 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1 ZINC001378921019 1345426631 /nfs/dbraw/zinc/42/66/31/1345426631.db2.gz KNSKOJDOFKEOHL-JSNVTFDYSA-N 1 3 341.927 2.784 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001379014110 1345497082 /nfs/dbraw/zinc/49/70/82/1345497082.db2.gz NOCUESQCMCGBLR-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001393881368 1357247370 /nfs/dbraw/zinc/24/73/70/1357247370.db2.gz GFABERVUKULCGP-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001393881368 1357247373 /nfs/dbraw/zinc/24/73/73/1357247373.db2.gz GFABERVUKULCGP-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001379028430 1345509541 /nfs/dbraw/zinc/50/95/41/1345509541.db2.gz VJZIJJBZBXLBOL-PMACEKPBSA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(F)c1)C(C)C)N(C)C ZINC001379046116 1345529599 /nfs/dbraw/zinc/52/95/99/1345529599.db2.gz NRUBOWARWCOXJS-QZTJIDSGSA-N 1 3 337.483 2.642 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001393883137 1357249787 /nfs/dbraw/zinc/24/97/87/1357249787.db2.gz NKMFBUBXYXRPGM-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC001393883137 1357249789 /nfs/dbraw/zinc/24/97/89/1357249789.db2.gz NKMFBUBXYXRPGM-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C/C=C/c1ccccc1 ZINC001379137859 1345616170 /nfs/dbraw/zinc/61/61/70/1345616170.db2.gz IFGYNTBNUBRMHQ-YPNIWSFNSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)C/C=C/c1ccccc1 ZINC001379137859 1345616173 /nfs/dbraw/zinc/61/61/73/1345616173.db2.gz IFGYNTBNUBRMHQ-YPNIWSFNSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001379153726 1345629309 /nfs/dbraw/zinc/62/93/09/1345629309.db2.gz ZEKQHVXZVRWFAK-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001379221431 1345666752 /nfs/dbraw/zinc/66/67/52/1345666752.db2.gz FQDFUEOBILSTJC-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cs1 ZINC001393888255 1357258292 /nfs/dbraw/zinc/25/82/92/1357258292.db2.gz XPRVFBMJVQBSTJ-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@H](C(C)C)N(C)C ZINC001379310331 1345715623 /nfs/dbraw/zinc/71/56/23/1345715623.db2.gz WVLTVBNEDDMVTR-MOPGFXCFSA-N 1 3 349.494 2.837 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379516772 1345822163 /nfs/dbraw/zinc/82/21/63/1345822163.db2.gz OXCTWFDIWIYHEI-HNNXBMFYSA-N 1 3 346.519 2.592 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001379555237 1345856183 /nfs/dbraw/zinc/85/61/83/1345856183.db2.gz YYVZASUGHYKISZ-JCGIZDLHSA-N 1 3 337.483 2.957 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001379579845 1345885430 /nfs/dbraw/zinc/88/54/30/1345885430.db2.gz ONGGTVAQTZKXCN-HNAYVOBHSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)NC(=O)c2cccc(CN(C)C)c2)c1 ZINC001379594785 1345903522 /nfs/dbraw/zinc/90/35/22/1345903522.db2.gz CCQDSCGMIJZZRJ-KRWDZBQOSA-N 1 3 339.483 2.965 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001379685376 1347257533 /nfs/dbraw/zinc/25/75/33/1347257533.db2.gz QSBXZTMYVSIXRA-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001379876696 1347382648 /nfs/dbraw/zinc/38/26/48/1347382648.db2.gz MJTSIECZXFWSSD-IBGZPJMESA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccncc1C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001380067774 1347498253 /nfs/dbraw/zinc/49/82/53/1347498253.db2.gz AGZNZZDUVASPHW-ROUUACIJSA-N 1 3 348.535 2.597 20 0 EFADHO Cc1ccncc1C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)(C)C ZINC001380067773 1347498321 /nfs/dbraw/zinc/49/83/21/1347498321.db2.gz AGZNZZDUVASPHW-MSOLQXFVSA-N 1 3 348.535 2.597 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001380101884 1347515287 /nfs/dbraw/zinc/51/52/87/1347515287.db2.gz UWCSNRSFVODEKF-SFHVURJKSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001380144471 1347533145 /nfs/dbraw/zinc/53/31/45/1347533145.db2.gz ZYEICSBJEJSTJP-CQSZACIVSA-N 1 3 349.906 2.729 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]CCc2ccccc2)CC1)N1CCCCCC1 ZINC001380153163 1347537766 /nfs/dbraw/zinc/53/77/66/1347537766.db2.gz NJSHLXGKIWNMML-GOSISDBHSA-N 1 3 343.515 2.732 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001380295787 1347574259 /nfs/dbraw/zinc/57/42/59/1347574259.db2.gz VVXKBNDMDDHUPB-GOSISDBHSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2C)CC1)N(C)C ZINC001380309490 1347582807 /nfs/dbraw/zinc/58/28/07/1347582807.db2.gz SHRYTYAFNANNOM-GOSISDBHSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001380675461 1347805246 /nfs/dbraw/zinc/80/52/46/1347805246.db2.gz KQOXIWVQIWAEHQ-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NC/C=C\Cl)CCC2)CCCCC1 ZINC001380875712 1347928994 /nfs/dbraw/zinc/92/89/94/1347928994.db2.gz JYFFHSPROVCFAO-GHXNOFRVSA-N 1 3 341.927 2.880 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC001380894857 1347941577 /nfs/dbraw/zinc/94/15/77/1347941577.db2.gz IDPIFVIWQVJZOW-UHFFFAOYSA-N 1 3 337.895 2.810 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001380961343 1347986934 /nfs/dbraw/zinc/98/69/34/1347986934.db2.gz NWBBAJNEKNGFOX-HXUWFJFHSA-N 1 3 345.531 2.796 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001380961343 1347986936 /nfs/dbraw/zinc/98/69/36/1347986936.db2.gz NWBBAJNEKNGFOX-HXUWFJFHSA-N 1 3 345.531 2.796 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001381095798 1348073220 /nfs/dbraw/zinc/07/32/20/1348073220.db2.gz IOJCCHIDMWNZQI-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001381109877 1348081840 /nfs/dbraw/zinc/08/18/40/1348081840.db2.gz WADYQZIMOPMLGU-QAPCUYQASA-N 1 3 349.494 2.740 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001381193431 1348132093 /nfs/dbraw/zinc/13/20/93/1348132093.db2.gz CSLHREVGWRKWRA-ZDUSSCGKSA-N 1 3 337.533 2.834 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001381275534 1348179837 /nfs/dbraw/zinc/17/98/37/1348179837.db2.gz KGMHIOQVSQMILM-UYAOXDASSA-N 1 3 345.531 2.992 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1csc(C)c1 ZINC001381289530 1348190511 /nfs/dbraw/zinc/19/05/11/1348190511.db2.gz ILDDZQHZPWTJLI-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1csc(C)c1 ZINC001381289530 1348190514 /nfs/dbraw/zinc/19/05/14/1348190514.db2.gz ILDDZQHZPWTJLI-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001381293805 1348193469 /nfs/dbraw/zinc/19/34/69/1348193469.db2.gz JCKPHZSQWLBVRV-GOSISDBHSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCCC2CCC2)CCC1 ZINC001381300114 1348198569 /nfs/dbraw/zinc/19/85/69/1348198569.db2.gz VADGAQZGGPHQDQ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCC2CCC2)CCC1 ZINC001381300114 1348198572 /nfs/dbraw/zinc/19/85/72/1348198572.db2.gz VADGAQZGGPHQDQ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C/C=C/Cl)C2)C1 ZINC001381315153 1348207136 /nfs/dbraw/zinc/20/71/36/1348207136.db2.gz SAWVEVXRMDADDP-DIYXLRBJSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001381315153 1348207141 /nfs/dbraw/zinc/20/71/41/1348207141.db2.gz SAWVEVXRMDADDP-DIYXLRBJSA-N 1 3 341.927 2.641 20 0 EFADHO Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001394024504 1357396238 /nfs/dbraw/zinc/39/62/38/1357396238.db2.gz QCZKGDYEVCODDO-SFHVURJKSA-N 1 3 345.531 2.911 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001381477469 1348299473 /nfs/dbraw/zinc/29/94/73/1348299473.db2.gz AKVRALOUEGZTCW-OAHLLOKOSA-N 1 3 347.494 2.692 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1)N(C)C ZINC001381478840 1348300447 /nfs/dbraw/zinc/30/04/47/1348300447.db2.gz MPLHESPUZJZUTH-GOSISDBHSA-N 1 3 333.520 2.847 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001381528397 1348332163 /nfs/dbraw/zinc/33/21/63/1348332163.db2.gz HKLZTRDXCQIXCC-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001381528397 1348332167 /nfs/dbraw/zinc/33/21/67/1348332167.db2.gz HKLZTRDXCQIXCC-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001381528395 1348332313 /nfs/dbraw/zinc/33/23/13/1348332313.db2.gz HKLZTRDXCQIXCC-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001381528395 1348332315 /nfs/dbraw/zinc/33/23/15/1348332315.db2.gz HKLZTRDXCQIXCC-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381534835 1348336374 /nfs/dbraw/zinc/33/63/74/1348336374.db2.gz RXLGGOQIYOFAMO-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381534835 1348336378 /nfs/dbraw/zinc/33/63/78/1348336378.db2.gz RXLGGOQIYOFAMO-KDOFPFPSSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381540769 1348342106 /nfs/dbraw/zinc/34/21/06/1348342106.db2.gz ZUGBYYVRDVQXDC-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001381540769 1348342109 /nfs/dbraw/zinc/34/21/09/1348342109.db2.gz ZUGBYYVRDVQXDC-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381579875 1348375813 /nfs/dbraw/zinc/37/58/13/1348375813.db2.gz XDGDFKIAAATENH-RDTXWAMCSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381579871 1348376008 /nfs/dbraw/zinc/37/60/08/1348376008.db2.gz XDGDFKIAAATENH-KSSFIOAISA-N 1 3 347.478 2.591 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001381804734 1348537964 /nfs/dbraw/zinc/53/79/64/1348537964.db2.gz NNMXBEHDIBKYRJ-MRXNPFEDSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001381819452 1348549538 /nfs/dbraw/zinc/54/95/38/1348549538.db2.gz GLTKLWWBORZJJQ-VQIMIIECSA-N 1 3 331.504 2.518 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001381987608 1348643082 /nfs/dbraw/zinc/64/30/82/1348643082.db2.gz CZCPDYRXACJKHN-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001381987608 1348643084 /nfs/dbraw/zinc/64/30/84/1348643084.db2.gz CZCPDYRXACJKHN-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001382143390 1348763945 /nfs/dbraw/zinc/76/39/45/1348763945.db2.gz QWQSPMBYLXDNCN-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)c(F)c1 ZINC001382143390 1348763950 /nfs/dbraw/zinc/76/39/50/1348763950.db2.gz QWQSPMBYLXDNCN-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1)N(C)C ZINC001382158887 1348779604 /nfs/dbraw/zinc/77/96/04/1348779604.db2.gz KOTZZONHSDHEBO-FUHWJXTLSA-N 1 3 325.541 2.980 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@H]1C ZINC001382320788 1348868214 /nfs/dbraw/zinc/86/82/14/1348868214.db2.gz YMVVDWYHTIKWFG-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C)N(C)C ZINC001382535566 1349001168 /nfs/dbraw/zinc/00/11/68/1349001168.db2.gz NHRHTDNEMSMVAY-ZWKOTPCHSA-N 1 3 333.520 2.893 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001382579866 1349031331 /nfs/dbraw/zinc/03/13/31/1349031331.db2.gz SSAFIRPISTUAOO-NRPCSINJSA-N 1 3 343.515 2.865 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001382588813 1349035468 /nfs/dbraw/zinc/03/54/68/1349035468.db2.gz KMBZWXGQQKGICZ-NNGSBXSVSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001382592180 1349039975 /nfs/dbraw/zinc/03/99/75/1349039975.db2.gz YGJAYLIUNCTEIH-RWBZWWBESA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394076239 1357443472 /nfs/dbraw/zinc/44/34/72/1357443472.db2.gz LLYLMCFLWKQYKF-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394076239 1357443475 /nfs/dbraw/zinc/44/34/75/1357443475.db2.gz LLYLMCFLWKQYKF-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001394098673 1357467363 /nfs/dbraw/zinc/46/73/63/1357467363.db2.gz ARVONBNMHVDKSN-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001394108361 1357480404 /nfs/dbraw/zinc/48/04/04/1357480404.db2.gz FJKGLZIZZNIILC-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO COc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001394108361 1357480407 /nfs/dbraw/zinc/48/04/07/1357480407.db2.gz FJKGLZIZZNIILC-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001394126316 1357502579 /nfs/dbraw/zinc/50/25/79/1357502579.db2.gz NYALEMLNGDTSHP-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001394126316 1357502581 /nfs/dbraw/zinc/50/25/81/1357502581.db2.gz NYALEMLNGDTSHP-QFBILLFUSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN([C@H](C)c2ccccc2)C1 ZINC001394251888 1357639122 /nfs/dbraw/zinc/63/91/22/1357639122.db2.gz OMZJBQONRZHYCN-HZPDHXFCSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001388683790 1352917904 /nfs/dbraw/zinc/91/79/04/1352917904.db2.gz OIVQLZIPAXPVSZ-IZAXUBKRSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CCCC3CCC3)CC2)CCC1 ZINC001389334981 1353311949 /nfs/dbraw/zinc/31/19/49/1353311949.db2.gz MTMSXJIMJUXCPC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001389382985 1353352116 /nfs/dbraw/zinc/35/21/16/1353352116.db2.gz CKXQDTYLWCYDMK-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001389600775 1353500641 /nfs/dbraw/zinc/50/06/41/1353500641.db2.gz CZTCHNLMTVKENM-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001389859480 1353651695 /nfs/dbraw/zinc/65/16/95/1353651695.db2.gz KANJNXZONIWSMF-KBRIMQKVSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001389898912 1353675351 /nfs/dbraw/zinc/67/53/51/1353675351.db2.gz LPLJGOHYWHJHNR-GUDVDZBRSA-N 1 3 331.504 2.626 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001390073086 1353785707 /nfs/dbraw/zinc/78/57/07/1353785707.db2.gz SPLCGCUQBHNTSV-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001390073086 1353785709 /nfs/dbraw/zinc/78/57/09/1353785709.db2.gz SPLCGCUQBHNTSV-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001390165586 1353882409 /nfs/dbraw/zinc/88/24/09/1353882409.db2.gz WZHAMSZIDULGRR-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1ccccc1F ZINC001390165586 1353882415 /nfs/dbraw/zinc/88/24/15/1353882415.db2.gz WZHAMSZIDULGRR-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001390269529 1353967340 /nfs/dbraw/zinc/96/73/40/1353967340.db2.gz FKSHGHCBOFSPJZ-ACBHZAAOSA-N 1 3 349.494 2.929 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001390482777 1354116167 /nfs/dbraw/zinc/11/61/67/1354116167.db2.gz NWGVWUAFMPHRQN-CYBMUJFWSA-N 1 3 341.446 2.537 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1cc2ccccc2o1 ZINC001390531625 1354153216 /nfs/dbraw/zinc/15/32/16/1354153216.db2.gz FEEKOPYPPJAGLZ-MRXNPFEDSA-N 1 3 343.471 2.903 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001390593258 1354191465 /nfs/dbraw/zinc/19/14/65/1354191465.db2.gz OHZNZMROCOREHU-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001390600707 1354196709 /nfs/dbraw/zinc/19/67/09/1354196709.db2.gz BJAIPCVFKRYJES-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCc3ccccc3)C2)CCC1 ZINC001390603755 1354199552 /nfs/dbraw/zinc/19/95/52/1354199552.db2.gz AJXOWRGOSZCHTJ-RTBURBONSA-N 1 3 343.515 2.730 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCc3ccccc3)C2)CCC1 ZINC001390603751 1354199739 /nfs/dbraw/zinc/19/97/39/1354199739.db2.gz AJXOWRGOSZCHTJ-RBUKOAKNSA-N 1 3 343.515 2.730 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001390607401 1354202091 /nfs/dbraw/zinc/20/20/91/1354202091.db2.gz GMPKWOQUJNLNCN-MSOLQXFVSA-N 1 3 347.478 2.827 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390764056 1354351800 /nfs/dbraw/zinc/35/18/00/1354351800.db2.gz IUXVQBFDHWTSIL-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001390764056 1354351805 /nfs/dbraw/zinc/35/18/05/1354351805.db2.gz IUXVQBFDHWTSIL-MOPGFXCFSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@H]2CCCc3ccc(F)cc32)CC[N@@H+]1C ZINC001390766322 1354352771 /nfs/dbraw/zinc/35/27/71/1354352771.db2.gz MHEPTZIHFJHUPV-BJZITVGISA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)[C@H]2CCCc3ccc(F)cc32)CC[N@H+]1C ZINC001390766322 1354352780 /nfs/dbraw/zinc/35/27/80/1354352780.db2.gz MHEPTZIHFJHUPV-BJZITVGISA-N 1 3 347.478 2.591 20 0 EFADHO CCc1cccc(C[N@H+](CC)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001390910788 1354509918 /nfs/dbraw/zinc/50/99/18/1354509918.db2.gz SLJAVIUDYZCMSL-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(C[N@@H+](CC)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001390910788 1354509921 /nfs/dbraw/zinc/50/99/21/1354509921.db2.gz SLJAVIUDYZCMSL-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC001391010544 1354680792 /nfs/dbraw/zinc/68/07/92/1354680792.db2.gz QRLPRWCICGMGFB-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC001391010544 1354680797 /nfs/dbraw/zinc/68/07/97/1354680797.db2.gz QRLPRWCICGMGFB-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@H]1CCC[C@@H](C)C1 ZINC001391011796 1354684121 /nfs/dbraw/zinc/68/41/21/1354684121.db2.gz YFXATPSGNZSXDH-NVXWUHKLSA-N 1 3 334.508 2.915 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@H]1CCC[C@@H](C)C1 ZINC001391011796 1354684130 /nfs/dbraw/zinc/68/41/30/1354684130.db2.gz YFXATPSGNZSXDH-NVXWUHKLSA-N 1 3 334.508 2.915 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CC3CCCCCC3)C2)CCC1 ZINC001391091220 1354783218 /nfs/dbraw/zinc/78/32/18/1354783218.db2.gz DDJKFZOVTRUFIH-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)CCC1 ZINC001391091220 1354783221 /nfs/dbraw/zinc/78/32/21/1354783221.db2.gz DDJKFZOVTRUFIH-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391090840 1354783303 /nfs/dbraw/zinc/78/33/03/1354783303.db2.gz AVEZHMIPEZYTGI-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391090840 1354783304 /nfs/dbraw/zinc/78/33/04/1354783304.db2.gz AVEZHMIPEZYTGI-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093826 1354785301 /nfs/dbraw/zinc/78/53/01/1354785301.db2.gz HYYANLHMTBIQMN-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093826 1354785302 /nfs/dbraw/zinc/78/53/02/1354785302.db2.gz HYYANLHMTBIQMN-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094780 1354786920 /nfs/dbraw/zinc/78/69/20/1354786920.db2.gz JBSPGHPRSAJQQO-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094780 1354786923 /nfs/dbraw/zinc/78/69/23/1354786923.db2.gz JBSPGHPRSAJQQO-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391107312 1354803481 /nfs/dbraw/zinc/80/34/81/1354803481.db2.gz AHANUYZVECWYAM-OALUTQOASA-N 1 3 349.494 2.680 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391107312 1354803484 /nfs/dbraw/zinc/80/34/84/1354803484.db2.gz AHANUYZVECWYAM-OALUTQOASA-N 1 3 349.494 2.680 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391109024 1354806244 /nfs/dbraw/zinc/80/62/44/1354806244.db2.gz IVIJURWYISEAEG-QFBILLFUSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001391109024 1354806249 /nfs/dbraw/zinc/80/62/49/1354806249.db2.gz IVIJURWYISEAEG-QFBILLFUSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1)N(C)C ZINC001391110347 1354808588 /nfs/dbraw/zinc/80/85/88/1354808588.db2.gz LKCLCRYTLVLEMA-WBVHZDCISA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1)N(C)C ZINC001391110347 1354808590 /nfs/dbraw/zinc/80/85/90/1354808590.db2.gz LKCLCRYTLVLEMA-WBVHZDCISA-N 1 3 337.533 2.643 20 0 EFADHO CCCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1csc(C)c1 ZINC001391138885 1354855641 /nfs/dbraw/zinc/85/56/41/1354855641.db2.gz XYUSXDHUGXVIQC-UHFFFAOYSA-N 1 3 337.533 2.727 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001391201452 1354929327 /nfs/dbraw/zinc/92/93/27/1354929327.db2.gz RLRVYKNEKZAZOT-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001391201452 1354929333 /nfs/dbraw/zinc/92/93/33/1354929333.db2.gz RLRVYKNEKZAZOT-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001391201824 1354929575 /nfs/dbraw/zinc/92/95/75/1354929575.db2.gz UECXKYQXTGDBAW-MRXNPFEDSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001391201824 1354929577 /nfs/dbraw/zinc/92/95/77/1354929577.db2.gz UECXKYQXTGDBAW-MRXNPFEDSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001391204480 1354932604 /nfs/dbraw/zinc/93/26/04/1354932604.db2.gz XBFNVOLRBAXWHM-KRWDZBQOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001391223520 1354945969 /nfs/dbraw/zinc/94/59/69/1354945969.db2.gz GREMOJYHJSHVJW-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001391243372 1354966300 /nfs/dbraw/zinc/96/63/00/1354966300.db2.gz YDVRQXKLQYYPPB-QAPCUYQASA-N 1 3 325.541 2.980 20 0 EFADHO CC1CC(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)c2ccccc2)C1 ZINC001391253642 1354976055 /nfs/dbraw/zinc/97/60/55/1354976055.db2.gz BFXXKUIDSOKNMH-LBXVMSDZSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001391379673 1355148552 /nfs/dbraw/zinc/14/85/52/1355148552.db2.gz GOEJVBFZMCUCRC-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001391379673 1355148556 /nfs/dbraw/zinc/14/85/56/1355148556.db2.gz GOEJVBFZMCUCRC-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001391382127 1355152391 /nfs/dbraw/zinc/15/23/91/1355152391.db2.gz MYNOVNLSSPWGPT-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391398211 1355168661 /nfs/dbraw/zinc/16/86/61/1355168661.db2.gz DXPDFDVIMIPTED-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391398211 1355168664 /nfs/dbraw/zinc/16/86/64/1355168664.db2.gz DXPDFDVIMIPTED-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391475544 1355227444 /nfs/dbraw/zinc/22/74/44/1355227444.db2.gz JKPVGEQYLWMXKJ-LPHOPBHVSA-N 1 3 349.494 2.784 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+](CC/C=C\c3ccccc3)C2)CCC1 ZINC001391489612 1355239990 /nfs/dbraw/zinc/23/99/90/1355239990.db2.gz HHVHGLAMJGPCFS-WDZFZDKYSA-N 1 3 341.499 2.622 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001391517976 1355268506 /nfs/dbraw/zinc/26/85/06/1355268506.db2.gz SVBIOHQISYVDLJ-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1 ZINC001391517976 1355268509 /nfs/dbraw/zinc/26/85/09/1355268509.db2.gz SVBIOHQISYVDLJ-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCCc2ccccc21 ZINC001391539064 1355288341 /nfs/dbraw/zinc/28/83/41/1355288341.db2.gz RMLZAOHQHXXQNI-CMKODMSKSA-N 1 3 341.499 2.691 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@@H]1CCCc2ccccc21 ZINC001391539064 1355288345 /nfs/dbraw/zinc/28/83/45/1355288345.db2.gz RMLZAOHQHXXQNI-CMKODMSKSA-N 1 3 341.499 2.691 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001391591696 1355332290 /nfs/dbraw/zinc/33/22/90/1355332290.db2.gz DMJZNOJCZCLWEW-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001391591696 1355332294 /nfs/dbraw/zinc/33/22/94/1355332294.db2.gz DMJZNOJCZCLWEW-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001391595299 1355336605 /nfs/dbraw/zinc/33/66/05/1355336605.db2.gz XLJIDPVMSRYVSL-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CCC1 ZINC001400056962 1361703794 /nfs/dbraw/zinc/70/37/94/1361703794.db2.gz PIHMXRHHTLNRIF-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001391831395 1355574292 /nfs/dbraw/zinc/57/42/92/1355574292.db2.gz IKFVIOPTGKIOTR-GUDVDZBRSA-N 1 3 349.494 2.929 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001391863483 1355602542 /nfs/dbraw/zinc/60/25/42/1355602542.db2.gz YXVDDYRJQVJXEA-QZTJIDSGSA-N 1 3 344.434 2.823 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC001436676803 1387279526 /nfs/dbraw/zinc/27/95/26/1387279526.db2.gz SVWLYAJTCCHSOS-UHFFFAOYSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001391925589 1355653344 /nfs/dbraw/zinc/65/33/44/1355653344.db2.gz OCQALFASHCSSAX-RHSMWYFYSA-N 1 3 339.911 2.768 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001391948436 1355672843 /nfs/dbraw/zinc/67/28/43/1355672843.db2.gz HCSHENTWUBJHSM-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001391951793 1355675652 /nfs/dbraw/zinc/67/56/52/1355675652.db2.gz QQPYWZNJGXMSJM-GOEBONIOSA-N 1 3 347.494 2.740 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391955932 1355679046 /nfs/dbraw/zinc/67/90/46/1355679046.db2.gz YNUPOSLKBOUQJA-KDOFPFPSSA-N 1 3 337.483 2.562 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001392041621 1355731992 /nfs/dbraw/zinc/73/19/92/1355731992.db2.gz PDDHAYKMFQZPLE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001392121374 1355783430 /nfs/dbraw/zinc/78/34/30/1355783430.db2.gz KMLKVIZWBVOKEM-YOEHRIQHSA-N 1 3 339.911 2.925 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCc2ccccc2)C1 ZINC001392198359 1355855457 /nfs/dbraw/zinc/85/54/57/1355855457.db2.gz XYSGAUZUZRVTAD-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001392220582 1355875171 /nfs/dbraw/zinc/87/51/71/1355875171.db2.gz BMZIVUYPGKOKHB-ROUUACIJSA-N 1 3 337.483 2.642 20 0 EFADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccn1 ZINC001392223745 1355877570 /nfs/dbraw/zinc/87/75/70/1355877570.db2.gz VIZZYFZORGPAKQ-SFHVURJKSA-N 1 3 346.519 2.577 20 0 EFADHO CC(C)Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001392264722 1355920584 /nfs/dbraw/zinc/92/05/84/1355920584.db2.gz GHRAWVUZQKKFCD-FQEVSTJZSA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001392264722 1355920587 /nfs/dbraw/zinc/92/05/87/1355920587.db2.gz GHRAWVUZQKKFCD-FQEVSTJZSA-N 1 3 345.531 2.870 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)CN(C)C1CCC1 ZINC001392285638 1355941788 /nfs/dbraw/zinc/94/17/88/1355941788.db2.gz YQISOSGYHSWVBA-UHFFFAOYSA-N 1 3 343.515 2.550 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)CN(C)C1CCC1 ZINC001392285638 1355941789 /nfs/dbraw/zinc/94/17/89/1355941789.db2.gz YQISOSGYHSWVBA-UHFFFAOYSA-N 1 3 343.515 2.550 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001392287809 1355944193 /nfs/dbraw/zinc/94/41/93/1355944193.db2.gz IZXHGWICFILITP-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001392287809 1355944197 /nfs/dbraw/zinc/94/41/97/1355944197.db2.gz IZXHGWICFILITP-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001392323543 1355988575 /nfs/dbraw/zinc/98/85/75/1355988575.db2.gz VAZSDKIWHIHLNS-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F ZINC001392323543 1355988576 /nfs/dbraw/zinc/98/85/76/1355988576.db2.gz VAZSDKIWHIHLNS-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H](C)CC(C)C ZINC001392334934 1356001738 /nfs/dbraw/zinc/00/17/38/1356001738.db2.gz WJODMSKNHFMYBH-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H](C)CC(C)C ZINC001392334934 1356001740 /nfs/dbraw/zinc/00/17/40/1356001740.db2.gz WJODMSKNHFMYBH-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001392339301 1356006662 /nfs/dbraw/zinc/00/66/62/1356006662.db2.gz MNFRIKPOQFPFOL-MJGOQNOKSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2F)C(=O)C1(N(C)C)CCC1 ZINC001392451147 1356047121 /nfs/dbraw/zinc/04/71/21/1356047121.db2.gz ZUEIONHUMJTPSK-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H](C(C)C)N(C)C ZINC001392458397 1356052131 /nfs/dbraw/zinc/05/21/31/1356052131.db2.gz JFABFWJJDPCOQL-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001392461287 1356053831 /nfs/dbraw/zinc/05/38/31/1356053831.db2.gz PKHANISSCLKASW-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001392479671 1356063910 /nfs/dbraw/zinc/06/39/10/1356063910.db2.gz GLISHESDKOUMEO-DNVCBOLYSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001401086389 1362430192 /nfs/dbraw/zinc/43/01/92/1362430192.db2.gz GDDTWOGYOBGFQR-KZNAEPCWSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001392610017 1356157344 /nfs/dbraw/zinc/15/73/44/1356157344.db2.gz GTDOPUBEQNVCCX-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001392712224 1356265388 /nfs/dbraw/zinc/26/53/88/1356265388.db2.gz QIVZXXHJVRBJKX-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC001392712224 1356265390 /nfs/dbraw/zinc/26/53/90/1356265390.db2.gz QIVZXXHJVRBJKX-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001392770935 1356312892 /nfs/dbraw/zinc/31/28/92/1356312892.db2.gz FTIDAJSEMPGBAA-PMACEKPBSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001392789735 1356328646 /nfs/dbraw/zinc/32/86/46/1356328646.db2.gz UJYCZEBSOCWWBY-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001392972621 1356479912 /nfs/dbraw/zinc/47/99/12/1356479912.db2.gz RLTGSYDVDLSYTO-IBGZPJMESA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001392972621 1356479914 /nfs/dbraw/zinc/47/99/14/1356479914.db2.gz RLTGSYDVDLSYTO-IBGZPJMESA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001393041945 1356532249 /nfs/dbraw/zinc/53/22/49/1356532249.db2.gz WMUJOAUANZEPRB-YZJPHSQXSA-N 1 3 338.455 2.635 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001393049540 1356537287 /nfs/dbraw/zinc/53/72/87/1356537287.db2.gz AZEXBVMVZCSLLB-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001393049545 1356537653 /nfs/dbraw/zinc/53/76/53/1356537653.db2.gz AZEXBVMVZCSLLB-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001393052595 1356540193 /nfs/dbraw/zinc/54/01/93/1356540193.db2.gz FDPNRKSGQISFSS-GOSISDBHSA-N 1 3 335.467 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001393156981 1356662376 /nfs/dbraw/zinc/66/23/76/1356662376.db2.gz FULHCKUFFPUZKT-HXUWFJFHSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(C)CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001402201227 1363511284 /nfs/dbraw/zinc/51/12/84/1363511284.db2.gz OAVGVGFLIZNUKM-RZIFZGNASA-N 1 3 329.916 2.543 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)c1 ZINC001393555302 1356945959 /nfs/dbraw/zinc/94/59/59/1356945959.db2.gz PWASYIWPIFMRDG-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC001393593799 1356974230 /nfs/dbraw/zinc/97/42/30/1356974230.db2.gz IPWSBBBUOGXBEO-PKOBYXMFSA-N 1 3 349.494 2.883 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)CC2)CCC1 ZINC001393596412 1356978656 /nfs/dbraw/zinc/97/86/56/1356978656.db2.gz HJKASGQZLILPFE-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)CC2)CCC1 ZINC001393596412 1356978663 /nfs/dbraw/zinc/97/86/63/1356978663.db2.gz HJKASGQZLILPFE-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001393598639 1356982812 /nfs/dbraw/zinc/98/28/12/1356982812.db2.gz UMYSPSVJYBVCJD-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001393598639 1356982815 /nfs/dbraw/zinc/98/28/15/1356982815.db2.gz UMYSPSVJYBVCJD-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001393601306 1356986454 /nfs/dbraw/zinc/98/64/54/1356986454.db2.gz KUZGUBXZSPNNIX-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001393601306 1356986455 /nfs/dbraw/zinc/98/64/55/1356986455.db2.gz KUZGUBXZSPNNIX-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC001393600897 1356987464 /nfs/dbraw/zinc/98/74/64/1356987464.db2.gz KGAPRHVYOLIHME-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)CC1 ZINC001393600897 1356987467 /nfs/dbraw/zinc/98/74/67/1356987467.db2.gz KGAPRHVYOLIHME-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CN(CCC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)[C@@H]1CCCN1C ZINC001393612892 1357001491 /nfs/dbraw/zinc/00/14/91/1357001491.db2.gz KXIJTKYMDMRMBX-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CN(CCC[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)[C@@H]1CCCN1C ZINC001393612892 1357001495 /nfs/dbraw/zinc/00/14/95/1357001495.db2.gz KXIJTKYMDMRMBX-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393685714 1357079800 /nfs/dbraw/zinc/07/98/00/1357079800.db2.gz HZZQSDYMGFHUCM-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1C ZINC001394488840 1357870553 /nfs/dbraw/zinc/87/05/53/1357870553.db2.gz JFANFODHPTYQLU-BEFAXECRSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001394497191 1357879141 /nfs/dbraw/zinc/87/91/41/1357879141.db2.gz NZBFZHJCZDCPJN-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001394537528 1357923035 /nfs/dbraw/zinc/92/30/35/1357923035.db2.gz GCUIHXVLQQJHDM-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001394537554 1357923496 /nfs/dbraw/zinc/92/34/96/1357923496.db2.gz GCUIHXVLQQJHDM-UZLBHIALSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C)N(C)C ZINC001394822149 1358118639 /nfs/dbraw/zinc/11/86/39/1358118639.db2.gz NHRHTDNEMSMVAY-ROUUACIJSA-N 1 3 333.520 2.893 20 0 EFADHO Cc1cccnc1CNC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C ZINC001394829924 1358129224 /nfs/dbraw/zinc/12/92/24/1358129224.db2.gz AZRCHWWVOGCGMK-QZTJIDSGSA-N 1 3 348.535 2.597 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001394853708 1358159941 /nfs/dbraw/zinc/15/99/41/1358159941.db2.gz KNXPUPIPYMNVNN-NNGSBXSVSA-N 1 3 347.478 2.950 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C)ccc2C)C1 ZINC001394856437 1358162721 /nfs/dbraw/zinc/16/27/21/1358162721.db2.gz FUQLVPJKVZOFBD-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H]([NH2+][C@H](CNC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001436842471 1387331591 /nfs/dbraw/zinc/33/15/91/1387331591.db2.gz SXMCRAKNMRTKSI-IEBWSBKVSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@@H]([NH2+][C@@H](CNC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001436842475 1387331731 /nfs/dbraw/zinc/33/17/31/1387331731.db2.gz SXMCRAKNMRTKSI-MJGOQNOKSA-N 1 3 340.471 2.896 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001436925456 1387337073 /nfs/dbraw/zinc/33/70/73/1387337073.db2.gz MDZIEILEVRUWJI-JOCQHMNTSA-N 1 3 343.924 2.870 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2sccc2Cl)C1 ZINC001436925456 1387337079 /nfs/dbraw/zinc/33/70/79/1387337079.db2.gz MDZIEILEVRUWJI-JOCQHMNTSA-N 1 3 343.924 2.870 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001397083031 1359660966 /nfs/dbraw/zinc/66/09/66/1359660966.db2.gz QTZNHBGRUXBZIZ-KDURUIRLSA-N 1 3 345.531 2.691 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001397083234 1359661833 /nfs/dbraw/zinc/66/18/33/1359661833.db2.gz RCXSRMSKKOYZQT-XHSDSOJGSA-N 1 3 345.478 2.637 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001397093884 1359671309 /nfs/dbraw/zinc/67/13/09/1359671309.db2.gz FOFRNOQCEKVBDT-GTYSZEQSSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1)N1CCCCCC1 ZINC001397094996 1359672272 /nfs/dbraw/zinc/67/22/72/1359672272.db2.gz GRRYDVBDSNYARI-MYZTUTKLSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001397103803 1359679078 /nfs/dbraw/zinc/67/90/78/1359679078.db2.gz XRLNYDKLKWJGCN-YSIASYRMSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001397126721 1359691400 /nfs/dbraw/zinc/69/14/00/1359691400.db2.gz BXZQQLWFXSKTQN-ZVZYQTTQSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001437146526 1387419757 /nfs/dbraw/zinc/41/97/57/1387419757.db2.gz NKECJKMELAORMQ-CQSZACIVSA-N 1 3 329.444 2.511 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001437152846 1387425325 /nfs/dbraw/zinc/42/53/25/1387425325.db2.gz XYALFFWRGAKVJY-MRXNPFEDSA-N 1 3 331.504 2.889 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001437152841 1387425348 /nfs/dbraw/zinc/42/53/48/1387425348.db2.gz XYALFFWRGAKVJY-INIZCTEOSA-N 1 3 331.504 2.889 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001397610450 1360001406 /nfs/dbraw/zinc/00/14/06/1360001406.db2.gz RBKHJDMRWOTASF-HYVNUMGLSA-N 1 3 337.533 2.627 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001397723431 1360080036 /nfs/dbraw/zinc/08/00/36/1360080036.db2.gz FXJHZGXXRVNCIU-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001398200975 1360375091 /nfs/dbraw/zinc/37/50/91/1360375091.db2.gz MOKDLTZVPXZLID-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001398369858 1360491596 /nfs/dbraw/zinc/49/15/96/1360491596.db2.gz ZRIIBVXWNYMOIK-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001398476244 1360590050 /nfs/dbraw/zinc/59/00/50/1360590050.db2.gz QOJIUSFDFODODR-MRXNPFEDSA-N 1 3 334.508 2.949 20 0 EFADHO C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001398476244 1360590053 /nfs/dbraw/zinc/59/00/53/1360590053.db2.gz QOJIUSFDFODODR-MRXNPFEDSA-N 1 3 334.508 2.949 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001398556643 1360643870 /nfs/dbraw/zinc/64/38/70/1360643870.db2.gz QVIJNILZOYXSBS-XDKFSHSGSA-N 1 3 335.467 2.710 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001398573034 1360651809 /nfs/dbraw/zinc/65/18/09/1360651809.db2.gz ZHUVFCMSLQDUMX-UFYCRDLUSA-N 1 3 345.531 2.615 20 0 EFADHO C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001398583821 1360656916 /nfs/dbraw/zinc/65/69/16/1360656916.db2.gz ZQKAZXKLTIRHPG-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)C1CCC1 ZINC001398837264 1360825388 /nfs/dbraw/zinc/82/53/88/1360825388.db2.gz KZQOFGAMRQYWCN-UHFFFAOYSA-N 1 3 329.488 2.688 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1)CC(C)(C)C ZINC001398840938 1360827092 /nfs/dbraw/zinc/82/70/92/1360827092.db2.gz NRZCLLDXCWYJGI-YHYXMXQVSA-N 1 3 329.916 2.734 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc2ccccc21 ZINC001398949687 1360889335 /nfs/dbraw/zinc/88/93/35/1360889335.db2.gz OHIQACVSQQHAND-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001398952088 1360891151 /nfs/dbraw/zinc/89/11/51/1360891151.db2.gz PSCODYPOYQUCRJ-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1cccc(Cl)c1 ZINC001398956071 1360894043 /nfs/dbraw/zinc/89/40/43/1360894043.db2.gz TTYNOXLDEQYNOY-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCc1cccc(F)c1 ZINC001492878802 1360956045 /nfs/dbraw/zinc/95/60/45/1360956045.db2.gz NBGABTWFKDABBA-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1cccc(F)c1 ZINC001492878802 1360956049 /nfs/dbraw/zinc/95/60/49/1360956049.db2.gz NBGABTWFKDABBA-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001399059898 1360965339 /nfs/dbraw/zinc/96/53/39/1360965339.db2.gz YOLKGAURSWQPRC-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001399109944 1361001060 /nfs/dbraw/zinc/00/10/60/1361001060.db2.gz QSEYYXGOPKFWHW-HOTGVXAUSA-N 1 3 331.504 2.672 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001399280104 1361121570 /nfs/dbraw/zinc/12/15/70/1361121570.db2.gz JYNAQYJPWFNDEC-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001399280104 1361121571 /nfs/dbraw/zinc/12/15/71/1361121571.db2.gz JYNAQYJPWFNDEC-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001399325718 1361155487 /nfs/dbraw/zinc/15/54/87/1361155487.db2.gz ZAESKZFDJHVMMY-QGZVFWFLSA-N 1 3 331.504 2.936 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001399336824 1361159319 /nfs/dbraw/zinc/15/93/19/1361159319.db2.gz KBBAVRLDDSCQFN-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001399338000 1361160136 /nfs/dbraw/zinc/16/01/36/1361160136.db2.gz LTCNQOODUZWRQA-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001399416414 1361207579 /nfs/dbraw/zinc/20/75/79/1361207579.db2.gz FPTVIJSXSAHCJO-CZUORRHYSA-N 1 3 325.522 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001399561122 1361332327 /nfs/dbraw/zinc/33/23/27/1361332327.db2.gz ZWKIQTDTFKIKBE-IBGZPJMESA-N 1 3 349.494 2.826 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(CF)cc2)C1 ZINC001399561122 1361332331 /nfs/dbraw/zinc/33/23/31/1361332331.db2.gz ZWKIQTDTFKIKBE-IBGZPJMESA-N 1 3 349.494 2.826 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1)CC(C)(C)C ZINC001399571884 1361340864 /nfs/dbraw/zinc/34/08/64/1361340864.db2.gz BNYKHKGXDAUOCK-UHFFFAOYSA-N 1 3 347.494 2.838 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1)CC(C)(C)C ZINC001399571884 1361340866 /nfs/dbraw/zinc/34/08/66/1361340866.db2.gz BNYKHKGXDAUOCK-UHFFFAOYSA-N 1 3 347.494 2.838 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)c1ccc(F)cc1 ZINC001399717970 1361450852 /nfs/dbraw/zinc/45/08/52/1361450852.db2.gz APPVWCRSYVZMCN-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@H](C)c1ccc(F)cc1 ZINC001399717970 1361450856 /nfs/dbraw/zinc/45/08/56/1361450856.db2.gz APPVWCRSYVZMCN-QAPCUYQASA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc(C)c(C)c1 ZINC001399722358 1361454451 /nfs/dbraw/zinc/45/44/51/1361454451.db2.gz LQIRTPCWUIWAIF-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1ccc(C)c(C)c1 ZINC001399722358 1361454455 /nfs/dbraw/zinc/45/44/55/1361454455.db2.gz LQIRTPCWUIWAIF-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CCN(C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399831728 1361523006 /nfs/dbraw/zinc/52/30/06/1361523006.db2.gz WJUQGDKQCIGEDY-CHYADLBTSA-N 1 3 349.906 2.743 20 0 EFADHO CCN(C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399831728 1361523011 /nfs/dbraw/zinc/52/30/11/1361523011.db2.gz WJUQGDKQCIGEDY-CHYADLBTSA-N 1 3 349.906 2.743 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001399927147 1361582906 /nfs/dbraw/zinc/58/29/06/1361582906.db2.gz DGAFKGLEUPUXEY-MOPGFXCFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001399927147 1361582907 /nfs/dbraw/zinc/58/29/07/1361582907.db2.gz DGAFKGLEUPUXEY-MOPGFXCFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)N(C)C ZINC001400001585 1361653436 /nfs/dbraw/zinc/65/34/36/1361653436.db2.gz CXEHBJVNDWQVKX-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)N(C)C ZINC001400001585 1361653438 /nfs/dbraw/zinc/65/34/38/1361653438.db2.gz CXEHBJVNDWQVKX-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(CN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C2CC2)cc1 ZINC001400042183 1361692152 /nfs/dbraw/zinc/69/21/52/1361692152.db2.gz QXNZNLYKWUOXFK-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@H]2CCCc3ccc(F)cc32)CCC1 ZINC001400056969 1361703390 /nfs/dbraw/zinc/70/33/90/1361703390.db2.gz PIHMXRHHTLNRIF-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001400074162 1361713744 /nfs/dbraw/zinc/71/37/44/1361713744.db2.gz HXNAWIHITFZVHO-ZWKOTPCHSA-N 1 3 337.483 2.911 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001400073016 1361713776 /nfs/dbraw/zinc/71/37/76/1361713776.db2.gz VOBLREYYJHDXCU-HNNXBMFYSA-N 1 3 337.483 2.913 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001400088527 1361727075 /nfs/dbraw/zinc/72/70/75/1361727075.db2.gz QKEDOUPKZPWMFS-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO C[N@H+](CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF)C1CCCCC1 ZINC001400097557 1361734701 /nfs/dbraw/zinc/73/47/01/1361734701.db2.gz JWSDORXSDBYSCS-HDICACEKSA-N 1 3 339.499 2.676 20 0 EFADHO C[N@@H+](CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF)C1CCCCC1 ZINC001400097557 1361734703 /nfs/dbraw/zinc/73/47/03/1361734703.db2.gz JWSDORXSDBYSCS-HDICACEKSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157000 1361793794 /nfs/dbraw/zinc/79/37/94/1361793794.db2.gz VJLYJVHOYQTVFW-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001400157000 1361793799 /nfs/dbraw/zinc/79/37/99/1361793799.db2.gz VJLYJVHOYQTVFW-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001400179249 1361818059 /nfs/dbraw/zinc/81/80/59/1361818059.db2.gz DNGXOWAXARUHOM-RTBURBONSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001400179249 1361818063 /nfs/dbraw/zinc/81/80/63/1361818063.db2.gz DNGXOWAXARUHOM-RTBURBONSA-N 1 3 331.504 2.601 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001400182151 1361821373 /nfs/dbraw/zinc/82/13/73/1361821373.db2.gz HQRVVJSEYZTAHW-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001400182151 1361821376 /nfs/dbraw/zinc/82/13/76/1361821376.db2.gz HQRVVJSEYZTAHW-UXHICEINSA-N 1 3 345.531 2.917 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)cc1 ZINC001400194854 1361835430 /nfs/dbraw/zinc/83/54/30/1361835430.db2.gz ZLSWHGHEGSPGSQ-ZZBREXMISA-N 1 3 349.906 2.943 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001437315871 1387537533 /nfs/dbraw/zinc/53/75/33/1387537533.db2.gz WBOPWKNSZGPLPE-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2ccccc2F)C1 ZINC001437316675 1387537869 /nfs/dbraw/zinc/53/78/69/1387537869.db2.gz QXCCEIJNCNJLPL-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(CCCc2cccc(F)c2)C1 ZINC001400296845 1361915364 /nfs/dbraw/zinc/91/53/64/1361915364.db2.gz NOJDXMLSDPIHOQ-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC(C)(C)CC2)CC1 ZINC001400584250 1362037585 /nfs/dbraw/zinc/03/75/85/1362037585.db2.gz WQPGGGMWTUHPII-ROUUACIJSA-N 1 3 347.547 2.830 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001400629864 1362060312 /nfs/dbraw/zinc/06/03/12/1362060312.db2.gz QABHNUWWFLHORG-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001400629864 1362060315 /nfs/dbraw/zinc/06/03/15/1362060315.db2.gz QABHNUWWFLHORG-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001437327700 1387548033 /nfs/dbraw/zinc/54/80/33/1387548033.db2.gz KMVBXGFVTNUJKS-XMNZZIDVSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001437327700 1387548055 /nfs/dbraw/zinc/54/80/55/1387548055.db2.gz KMVBXGFVTNUJKS-XMNZZIDVSA-N 1 3 336.307 2.664 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001400688186 1362095395 /nfs/dbraw/zinc/09/53/95/1362095395.db2.gz TWDFULJTCXBVKW-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001400824063 1362188121 /nfs/dbraw/zinc/18/81/21/1362188121.db2.gz POFZUZGSTQKJBO-CVEARBPZSA-N 1 3 347.494 2.883 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001400841267 1362202834 /nfs/dbraw/zinc/20/28/34/1362202834.db2.gz BPPQXUJCYQTONB-RTBURBONSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC=C(Cl)Cl ZINC001400856604 1362214968 /nfs/dbraw/zinc/21/49/68/1362214968.db2.gz UIKAVSABVMWWCN-CYBMUJFWSA-N 1 3 336.307 2.522 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001400857658 1362215480 /nfs/dbraw/zinc/21/54/80/1362215480.db2.gz HCDSMOVCEDJFNM-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001400862107 1362219626 /nfs/dbraw/zinc/21/96/26/1362219626.db2.gz SXYDUEZYAOGZDO-DLBZAZTESA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001401056619 1362400056 /nfs/dbraw/zinc/40/00/56/1362400056.db2.gz MDIIZXAMOREQBG-FHWLQOOXSA-N 1 3 331.504 2.852 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2F)CC1 ZINC001401071501 1362410984 /nfs/dbraw/zinc/41/09/84/1362410984.db2.gz AWGAWTAUPSJOBP-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO C[NH+](C)CCCC(=O)NCCC1CCN(Cc2cccc(F)c2)CC1 ZINC001401073846 1362415113 /nfs/dbraw/zinc/41/51/13/1362415113.db2.gz BIGBLZQAUCJGCD-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001401113415 1362451012 /nfs/dbraw/zinc/45/10/12/1362451012.db2.gz HWQUZOUXQVYQLF-AEFFLSMTSA-N 1 3 331.504 2.964 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113635 1362451921 /nfs/dbraw/zinc/45/19/21/1362451921.db2.gz JJHNXCQIWLPLEU-OAHLLOKOSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401133890 1362470411 /nfs/dbraw/zinc/47/04/11/1362470411.db2.gz VPZOERCGJRJODB-DLBZAZTESA-N 1 3 337.552 2.887 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001401134972 1362472335 /nfs/dbraw/zinc/47/23/35/1362472335.db2.gz JSAGAIBNCLNRLP-DGCLKSJQSA-N 1 3 331.913 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001401138023 1362474705 /nfs/dbraw/zinc/47/47/05/1362474705.db2.gz OURCBFYEWOVCCV-RDJZCZTQSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401143585 1362480082 /nfs/dbraw/zinc/48/00/82/1362480082.db2.gz BJGYQGPDNUTLQK-AWEZNQCLSA-N 1 3 334.508 2.819 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCCCCC1)C[NH2+]CC1CC(F)(F)C1 ZINC001401180221 1362515067 /nfs/dbraw/zinc/51/50/67/1362515067.db2.gz CYNUWQUUUATWQL-GJZGRUSLSA-N 1 3 345.478 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)N1CCCCC1 ZINC001401188867 1362527727 /nfs/dbraw/zinc/52/77/27/1362527727.db2.gz CONYTXSZRJNEPO-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001401244267 1362583317 /nfs/dbraw/zinc/58/33/17/1362583317.db2.gz XFOJIHVSHBMLDU-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401247104 1362585958 /nfs/dbraw/zinc/58/59/58/1362585958.db2.gz NJEMKFXSODXRAD-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1C ZINC001401249331 1362588742 /nfs/dbraw/zinc/58/87/42/1362588742.db2.gz XUSOOGBDEDKPBA-HNAYVOBHSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001401254817 1362594427 /nfs/dbraw/zinc/59/44/27/1362594427.db2.gz IZBLTUSOSWNRDV-GOSISDBHSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001401265912 1362606708 /nfs/dbraw/zinc/60/67/08/1362606708.db2.gz YJBBXHMUHLZQNP-HOCLYGCPSA-N 1 3 347.494 2.835 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001401265993 1362606786 /nfs/dbraw/zinc/60/67/86/1362606786.db2.gz YUAYKPMOAMYOKU-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001401288483 1362634935 /nfs/dbraw/zinc/63/49/35/1362634935.db2.gz DLDWHJIIMJFGCX-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001401288588 1362635153 /nfs/dbraw/zinc/63/51/53/1362635153.db2.gz CPHNOKDQBCWJAE-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(CC[N@H+](C)CCF)CC2)c1 ZINC001401308732 1362655893 /nfs/dbraw/zinc/65/58/93/1362655893.db2.gz HFUIIJLEPIWWQE-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(CC[N@@H+](C)CCF)CC2)c1 ZINC001401308732 1362655896 /nfs/dbraw/zinc/65/58/96/1362655896.db2.gz HFUIIJLEPIWWQE-UHFFFAOYSA-N 1 3 349.494 2.892 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C)N(C)C ZINC001401345368 1362693605 /nfs/dbraw/zinc/69/36/05/1362693605.db2.gz UZDOALWEMLKCBQ-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401429855 1362792755 /nfs/dbraw/zinc/79/27/55/1362792755.db2.gz LBWHKHUXQDFHDR-IBGZPJMESA-N 1 3 333.520 2.842 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401429855 1362792758 /nfs/dbraw/zinc/79/27/58/1362792758.db2.gz LBWHKHUXQDFHDR-IBGZPJMESA-N 1 3 333.520 2.842 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC2CCC2)C1 ZINC001401491319 1362882505 /nfs/dbraw/zinc/88/25/05/1362882505.db2.gz LZGZRLDGHBIPAT-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC2CCC2)C1 ZINC001401491319 1362882512 /nfs/dbraw/zinc/88/25/12/1362882512.db2.gz LZGZRLDGHBIPAT-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC2CCC2)C1 ZINC001401491335 1362883014 /nfs/dbraw/zinc/88/30/14/1362883014.db2.gz LZGZRLDGHBIPAT-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC2CCC2)C1 ZINC001401491335 1362883017 /nfs/dbraw/zinc/88/30/17/1362883017.db2.gz LZGZRLDGHBIPAT-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001401506967 1362895954 /nfs/dbraw/zinc/89/59/54/1362895954.db2.gz YSKOWXQOBLWILL-ROUUACIJSA-N 1 3 329.488 2.545 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001401611251 1362971131 /nfs/dbraw/zinc/97/11/31/1362971131.db2.gz WDUCCBJZSDVIMT-QWHCGFSZSA-N 1 3 332.423 2.645 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001401658340 1363006311 /nfs/dbraw/zinc/00/63/11/1363006311.db2.gz FAKDJAOGNRPBNO-MRXNPFEDSA-N 1 3 327.472 2.776 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001401684804 1363024261 /nfs/dbraw/zinc/02/42/61/1363024261.db2.gz GVOMGERJYZLYMR-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001401716678 1363048576 /nfs/dbraw/zinc/04/85/76/1363048576.db2.gz HRJFRBRDPIESHX-KXBFYZLASA-N 1 3 348.535 2.694 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800564 1363146815 /nfs/dbraw/zinc/14/68/15/1363146815.db2.gz REJMFAXOGYUDDA-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800564 1363146819 /nfs/dbraw/zinc/14/68/19/1363146819.db2.gz REJMFAXOGYUDDA-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800570 1363146907 /nfs/dbraw/zinc/14/69/07/1363146907.db2.gz REJMFAXOGYUDDA-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800570 1363146909 /nfs/dbraw/zinc/14/69/09/1363146909.db2.gz REJMFAXOGYUDDA-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001401844069 1363181544 /nfs/dbraw/zinc/18/15/44/1363181544.db2.gz UKMVGOSRHGOVKZ-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001401873988 1363206375 /nfs/dbraw/zinc/20/63/75/1363206375.db2.gz PKKTYKUMPXNGOX-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001401950864 1363269183 /nfs/dbraw/zinc/26/91/83/1363269183.db2.gz LPLBLUNWXHFWGF-LJQANCHMSA-N 1 3 343.515 2.916 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ncccc1C ZINC001402033802 1363345293 /nfs/dbraw/zinc/34/52/93/1363345293.db2.gz FIHQGONCIHMHOP-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F)CC(C)(C)C ZINC001402046245 1363355954 /nfs/dbraw/zinc/35/59/54/1363355954.db2.gz BHBHELZFYVQVAG-KRWDZBQOSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001402156076 1363464116 /nfs/dbraw/zinc/46/41/16/1363464116.db2.gz IAFKUZVJUWRCGT-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[NH+]1CCC(C)(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001402208050 1363521261 /nfs/dbraw/zinc/52/12/61/1363521261.db2.gz PSKZYLHATMDCSA-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001402337894 1363613984 /nfs/dbraw/zinc/61/39/84/1363613984.db2.gz IWAHVHUSQWBPEU-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402404628 1363663864 /nfs/dbraw/zinc/66/38/64/1363663864.db2.gz CCVGLFHCHGUKFC-BZSNNMDCSA-N 1 3 325.541 2.741 20 0 EFADHO CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001402430512 1363687497 /nfs/dbraw/zinc/68/74/97/1363687497.db2.gz BTOFPTBIWOYMPT-UJWQCDCRSA-N 1 3 337.552 2.978 20 0 EFADHO CC[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001402430512 1363687503 /nfs/dbraw/zinc/68/75/03/1363687503.db2.gz BTOFPTBIWOYMPT-UJWQCDCRSA-N 1 3 337.552 2.978 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001402433064 1363689689 /nfs/dbraw/zinc/68/96/89/1363689689.db2.gz IYADDFIIVBONPU-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)N(C)C ZINC001402442045 1363695160 /nfs/dbraw/zinc/69/51/60/1363695160.db2.gz UIDXFMKPDHYRPM-QAZZUBQKSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)N(C)C ZINC001402442045 1363695165 /nfs/dbraw/zinc/69/51/65/1363695165.db2.gz UIDXFMKPDHYRPM-QAZZUBQKSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)N(C)C ZINC001402442042 1363695324 /nfs/dbraw/zinc/69/53/24/1363695324.db2.gz UIDXFMKPDHYRPM-CEEZWJPWSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)N(C)C ZINC001402442042 1363695327 /nfs/dbraw/zinc/69/53/27/1363695327.db2.gz UIDXFMKPDHYRPM-CEEZWJPWSA-N 1 3 341.927 2.684 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001402464956 1363710671 /nfs/dbraw/zinc/71/06/71/1363710671.db2.gz XWUGYJHUSYRTFJ-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001402464956 1363710674 /nfs/dbraw/zinc/71/06/74/1363710674.db2.gz XWUGYJHUSYRTFJ-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO C[C@@H](NCCF)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001402496303 1363740146 /nfs/dbraw/zinc/74/01/46/1363740146.db2.gz MCSDEZRVFVTTJX-OAHLLOKOSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@@H](NCCF)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001402496140 1363740172 /nfs/dbraw/zinc/74/01/72/1363740172.db2.gz LEDNYXPVYODDRS-OAHLLOKOSA-N 1 3 335.467 2.655 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)CC1 ZINC001402606313 1363829343 /nfs/dbraw/zinc/82/93/43/1363829343.db2.gz GCETUMUHCYJITR-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2)CC1 ZINC001402606313 1363829348 /nfs/dbraw/zinc/82/93/48/1363829348.db2.gz GCETUMUHCYJITR-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001402654551 1363894494 /nfs/dbraw/zinc/89/44/94/1363894494.db2.gz JIMYHTAVOAGWJT-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001402654551 1363894499 /nfs/dbraw/zinc/89/44/99/1363894499.db2.gz JIMYHTAVOAGWJT-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001402687678 1363937046 /nfs/dbraw/zinc/93/70/46/1363937046.db2.gz QZVARAKLZQBRJS-OAHLLOKOSA-N 1 3 349.441 2.643 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001402699088 1363947513 /nfs/dbraw/zinc/94/75/13/1363947513.db2.gz SGUPRKUIZGWQIR-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001402699088 1363947517 /nfs/dbraw/zinc/94/75/17/1363947517.db2.gz SGUPRKUIZGWQIR-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@@H+](CC2CCC2)C3)C1 ZINC001402745822 1363991325 /nfs/dbraw/zinc/99/13/25/1363991325.db2.gz BQNYJILZYOXJDI-MRXNPFEDSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@H+](CC2CCC2)C3)C1 ZINC001402745822 1363991332 /nfs/dbraw/zinc/99/13/32/1363991332.db2.gz BQNYJILZYOXJDI-MRXNPFEDSA-N 1 3 341.499 2.760 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001402750105 1363996847 /nfs/dbraw/zinc/99/68/47/1363996847.db2.gz BXRLLABAHARAOA-UHFFFAOYSA-N 1 3 329.488 2.759 20 0 EFADHO CC(C)C[N@H+]1Cc2ccc(CNC(=O)CN(C)C3CCC3)cc2C1 ZINC001402750105 1363996852 /nfs/dbraw/zinc/99/68/52/1363996852.db2.gz BXRLLABAHARAOA-UHFFFAOYSA-N 1 3 329.488 2.759 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001402809772 1364056598 /nfs/dbraw/zinc/05/65/98/1364056598.db2.gz COZGVOIMKMKOJU-VQIMIIECSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccnc2C)[C@H](C)C1 ZINC001402809772 1364056603 /nfs/dbraw/zinc/05/66/03/1364056603.db2.gz COZGVOIMKMKOJU-VQIMIIECSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001402827773 1364074757 /nfs/dbraw/zinc/07/47/57/1364074757.db2.gz OSYWZQXIFQTOBV-ACBHZAAOSA-N 1 3 331.504 2.586 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C)c1ccccc1Cl ZINC001402835069 1364080227 /nfs/dbraw/zinc/08/02/27/1364080227.db2.gz JYOAMNSTKGZYFX-JJRVBVJISA-N 1 3 337.895 2.980 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001402854126 1364093474 /nfs/dbraw/zinc/09/34/74/1364093474.db2.gz RHJGIDUJXDJCLY-QWHCGFSZSA-N 1 3 332.423 2.645 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001437462983 1387666846 /nfs/dbraw/zinc/66/68/46/1387666846.db2.gz KZVJENJPIRVPNX-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001437462983 1387666854 /nfs/dbraw/zinc/66/68/54/1387666854.db2.gz KZVJENJPIRVPNX-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001403023280 1364225623 /nfs/dbraw/zinc/22/56/23/1364225623.db2.gz IERKGHBGARLPGM-AWEZNQCLSA-N 1 3 337.895 2.727 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001403051993 1364255768 /nfs/dbraw/zinc/25/57/68/1364255768.db2.gz QPIFFQPXOPMWQH-HNNXBMFYSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001403056585 1364261723 /nfs/dbraw/zinc/26/17/23/1364261723.db2.gz XYPLIXIMMZYBMR-CZUORRHYSA-N 1 3 325.884 2.521 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001403070971 1364274708 /nfs/dbraw/zinc/27/47/08/1364274708.db2.gz XKACKCWPVRLTBG-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001403070969 1364274959 /nfs/dbraw/zinc/27/49/59/1364274959.db2.gz XKACKCWPVRLTBG-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001437462664 1387667044 /nfs/dbraw/zinc/66/70/44/1387667044.db2.gz JJXKDIFFTKXKTG-OLMNPRSZSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001437462664 1387667052 /nfs/dbraw/zinc/66/70/52/1387667052.db2.gz JJXKDIFFTKXKTG-OLMNPRSZSA-N 1 3 335.467 2.665 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001437472105 1387673297 /nfs/dbraw/zinc/67/32/97/1387673297.db2.gz SEZHPROQKUIFAL-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001437472105 1387673304 /nfs/dbraw/zinc/67/33/04/1387673304.db2.gz SEZHPROQKUIFAL-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001403150060 1364368284 /nfs/dbraw/zinc/36/82/84/1364368284.db2.gz RYPDSZNBEDREIR-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001403150060 1364368287 /nfs/dbraw/zinc/36/82/87/1364368287.db2.gz RYPDSZNBEDREIR-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1 ZINC001403202099 1364430090 /nfs/dbraw/zinc/43/00/90/1364430090.db2.gz ZGRNIMGBANQWAM-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1cc2ccccc2o1 ZINC001403202099 1364430091 /nfs/dbraw/zinc/43/00/91/1364430091.db2.gz ZGRNIMGBANQWAM-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403252994 1364464499 /nfs/dbraw/zinc/46/44/99/1364464499.db2.gz RUXXHGLNYHEPPD-SFHVURJKSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001403295388 1364511043 /nfs/dbraw/zinc/51/10/43/1364511043.db2.gz BYWDWJZRNLOIFL-HZPDHXFCSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001403305935 1364522741 /nfs/dbraw/zinc/52/27/41/1364522741.db2.gz QZGBQJJTEPWRNG-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001403314588 1364531470 /nfs/dbraw/zinc/53/14/70/1364531470.db2.gz BHEPAPBGHABQNU-VQIMIIECSA-N 1 3 331.504 2.518 20 0 EFADHO Cc1cccc(C[NH+]2CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001403316736 1364533974 /nfs/dbraw/zinc/53/39/74/1364533974.db2.gz CBOIPKSZOVRDTA-QGZVFWFLSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[NH+]2CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001403316721 1364534146 /nfs/dbraw/zinc/53/41/46/1364534146.db2.gz CBOIPKSZOVRDTA-KRWDZBQOSA-N 1 3 345.531 2.909 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([N@H+](C)CCCF)C2)c1 ZINC001403321400 1364538846 /nfs/dbraw/zinc/53/88/46/1364538846.db2.gz IYYXBKHBIDXIIC-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCCF)C2)c1 ZINC001403321400 1364538848 /nfs/dbraw/zinc/53/88/48/1364538848.db2.gz IYYXBKHBIDXIIC-GOSISDBHSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001403395487 1364600423 /nfs/dbraw/zinc/60/04/23/1364600423.db2.gz FBKDSTGJFSKHCW-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(F)cc1C)C1CC1)N(C)C ZINC001403533541 1364737448 /nfs/dbraw/zinc/73/74/48/1364737448.db2.gz RXPQYUFEDQHATM-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001403565997 1364767164 /nfs/dbraw/zinc/76/71/64/1364767164.db2.gz RHRFIFYCQCXVQX-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001403565997 1364767167 /nfs/dbraw/zinc/76/71/67/1364767167.db2.gz RHRFIFYCQCXVQX-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403573526 1364775521 /nfs/dbraw/zinc/77/55/21/1364775521.db2.gz GFZUOWLPNSEVMP-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001403588211 1364790660 /nfs/dbraw/zinc/79/06/60/1364790660.db2.gz PZLXWDSHUZPNLZ-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001403591553 1364794805 /nfs/dbraw/zinc/79/48/05/1364794805.db2.gz UIKGNAWJCRTOHH-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001403612056 1364816302 /nfs/dbraw/zinc/81/63/02/1364816302.db2.gz XXWPFLKSKHFNAS-GJZGRUSLSA-N 1 3 340.471 2.639 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001403634884 1364838335 /nfs/dbraw/zinc/83/83/35/1364838335.db2.gz NFNSGFLMGPCDPR-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001403687177 1364865004 /nfs/dbraw/zinc/86/50/04/1364865004.db2.gz XWPPURHFIMSHBI-OALUTQOASA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccc(CF)cc2)CC1 ZINC001403721797 1364885218 /nfs/dbraw/zinc/88/52/18/1364885218.db2.gz WYJCWPBILMYZSS-UHFFFAOYSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@H]1C ZINC001403765737 1364913877 /nfs/dbraw/zinc/91/38/77/1364913877.db2.gz JAQAYPYTWHXQLW-QAPCUYQASA-N 1 3 343.471 2.854 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001403776369 1364925998 /nfs/dbraw/zinc/92/59/98/1364925998.db2.gz VJGDUOMHHVCTRF-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@H]1C ZINC001403776369 1364926002 /nfs/dbraw/zinc/92/60/02/1364926002.db2.gz VJGDUOMHHVCTRF-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001403786530 1364938443 /nfs/dbraw/zinc/93/84/43/1364938443.db2.gz JXNKOLBQSJKCOL-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001403786530 1364938447 /nfs/dbraw/zinc/93/84/47/1364938447.db2.gz JXNKOLBQSJKCOL-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCCc2ccccc21 ZINC001403932142 1365059862 /nfs/dbraw/zinc/05/98/62/1365059862.db2.gz OMZAWAKTMLMOHR-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H]1CCCc2ccccc21 ZINC001403932142 1365059866 /nfs/dbraw/zinc/05/98/66/1365059866.db2.gz OMZAWAKTMLMOHR-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(C(F)F)c1 ZINC001403940232 1365075476 /nfs/dbraw/zinc/07/54/76/1365075476.db2.gz NMUCWDWCWAKWOW-MRXNPFEDSA-N 1 3 339.430 2.514 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(C(F)F)c1 ZINC001403940232 1365075482 /nfs/dbraw/zinc/07/54/82/1365075482.db2.gz NMUCWDWCWAKWOW-MRXNPFEDSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068932 1365227733 /nfs/dbraw/zinc/22/77/33/1365227733.db2.gz AWWZDCSLBPSZMO-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068932 1365227735 /nfs/dbraw/zinc/22/77/35/1365227735.db2.gz AWWZDCSLBPSZMO-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001404072287 1365231398 /nfs/dbraw/zinc/23/13/98/1365231398.db2.gz FTRBGUILUUFQGA-RHYMJRRZSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001404072287 1365231402 /nfs/dbraw/zinc/23/14/02/1365231402.db2.gz FTRBGUILUUFQGA-RHYMJRRZSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001404209651 1365352606 /nfs/dbraw/zinc/35/26/06/1365352606.db2.gz IIMOQQGDIVIYNE-KSSFIOAISA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001404209651 1365352610 /nfs/dbraw/zinc/35/26/10/1365352610.db2.gz IIMOQQGDIVIYNE-KSSFIOAISA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001404217527 1365359730 /nfs/dbraw/zinc/35/97/30/1365359730.db2.gz OCTPMHATLVBMCU-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001404217527 1365359731 /nfs/dbraw/zinc/35/97/31/1365359731.db2.gz OCTPMHATLVBMCU-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO CCc1ccccc1CN(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001437539521 1387743562 /nfs/dbraw/zinc/74/35/62/1387743562.db2.gz WHYFXPLTYFOXEN-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CCC2CCCC2)CC1 ZINC001404619984 1365722136 /nfs/dbraw/zinc/72/21/36/1365722136.db2.gz PVTBJHGDCDMRGQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CCC2CCCC2)CC1 ZINC001404619984 1365722140 /nfs/dbraw/zinc/72/21/40/1365722140.db2.gz PVTBJHGDCDMRGQ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC(CN(C)Cc2ccccc2F)CC1 ZINC001404622464 1365724135 /nfs/dbraw/zinc/72/41/35/1365724135.db2.gz LLRNHFRNYHMIMA-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC(CN(C)Cc2ccccc2F)CC1 ZINC001404622464 1365724140 /nfs/dbraw/zinc/72/41/40/1365724140.db2.gz LLRNHFRNYHMIMA-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404702512 1365778328 /nfs/dbraw/zinc/77/83/28/1365778328.db2.gz ASIHSFOFBIOKRR-OKZBNKHCSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404702512 1365778330 /nfs/dbraw/zinc/77/83/30/1365778330.db2.gz ASIHSFOFBIOKRR-OKZBNKHCSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001405014390 1365968401 /nfs/dbraw/zinc/96/84/01/1365968401.db2.gz DFWONOHIVAOCDV-AEFFLSMTSA-N 1 3 329.488 2.588 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405112168 1366030107 /nfs/dbraw/zinc/03/01/07/1366030107.db2.gz JSNYIMGNZVCMPF-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC001405112194 1366030206 /nfs/dbraw/zinc/03/02/06/1366030206.db2.gz JSNYIMGNZVCMPF-IEBWSBKVSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001405116391 1366033106 /nfs/dbraw/zinc/03/31/06/1366033106.db2.gz IAVCHIWMHHXUOW-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC2CC(C)C2)cc1 ZINC001405543406 1366282939 /nfs/dbraw/zinc/28/29/39/1366282939.db2.gz NNGDCUNCXJXHRB-UHFFFAOYSA-N 1 3 340.471 2.713 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1C1CC1 ZINC001405665332 1366327884 /nfs/dbraw/zinc/32/78/84/1366327884.db2.gz HUPCBCLDBZURHO-INIZCTEOSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001405668518 1366329142 /nfs/dbraw/zinc/32/91/42/1366329142.db2.gz KJXGGTOEJABXII-KRWDZBQOSA-N 1 3 331.504 2.630 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001405671478 1366330031 /nfs/dbraw/zinc/33/00/31/1366330031.db2.gz FIWQNPURFPEIGM-YJBOKZPZSA-N 1 3 335.467 2.542 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1c(C)cccc1C ZINC001437599070 1387810237 /nfs/dbraw/zinc/81/02/37/1387810237.db2.gz RFHMWVOPTHDAIU-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCC1)N(C)C ZINC001405753256 1366387164 /nfs/dbraw/zinc/38/71/64/1366387164.db2.gz IMBAKBDNFUOUIP-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1c(C)cccc1C ZINC001437599070 1387810231 /nfs/dbraw/zinc/81/02/31/1387810231.db2.gz RFHMWVOPTHDAIU-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001405829814 1366446282 /nfs/dbraw/zinc/44/62/82/1366446282.db2.gz MHEJAHBZFIDFLB-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1cc(F)ccc1C ZINC001437598937 1387811896 /nfs/dbraw/zinc/81/18/96/1387811896.db2.gz KXHSPCOCNKAHTD-IBGZPJMESA-N 1 3 349.494 2.945 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1cc(F)ccc1C ZINC001437598937 1387811901 /nfs/dbraw/zinc/81/19/01/1387811901.db2.gz KXHSPCOCNKAHTD-IBGZPJMESA-N 1 3 349.494 2.945 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405838851 1366452678 /nfs/dbraw/zinc/45/26/78/1366452678.db2.gz VXUGSQGHMSSXKT-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405845085 1366457855 /nfs/dbraw/zinc/45/78/55/1366457855.db2.gz NCJYXLBNZNESNM-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001405874846 1366483557 /nfs/dbraw/zinc/48/35/57/1366483557.db2.gz SEJFZFRNSBFAGM-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001405880273 1366487990 /nfs/dbraw/zinc/48/79/90/1366487990.db2.gz BLMNKGABNYBGSH-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cc2ccccc2o1 ZINC001405899627 1366504056 /nfs/dbraw/zinc/50/40/56/1366504056.db2.gz WDTATNJRBKZNDR-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cc2ccccc2o1 ZINC001405899627 1366504058 /nfs/dbraw/zinc/50/40/58/1366504058.db2.gz WDTATNJRBKZNDR-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CCN(C/C=C\c1ccccc1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437608986 1387820562 /nfs/dbraw/zinc/82/05/62/1387820562.db2.gz TVJRMQYWVIOINR-WDZFZDKYSA-N 1 3 341.499 2.766 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1cc(C)sc1C ZINC001437623688 1387846000 /nfs/dbraw/zinc/84/60/00/1387846000.db2.gz ZMXAZBACVWYYHA-UHFFFAOYSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001405971705 1367029379 /nfs/dbraw/zinc/02/93/79/1367029379.db2.gz MZGLCKUAWFZYHV-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)C)N(C)C ZINC001406061581 1367163239 /nfs/dbraw/zinc/16/32/39/1367163239.db2.gz HTMXOOVIQFNETG-MSOLQXFVSA-N 1 3 337.483 2.705 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001406134044 1367291138 /nfs/dbraw/zinc/29/11/38/1367291138.db2.gz KFBDLACPMACCEX-LJQANCHMSA-N 1 3 333.520 2.780 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001406160069 1367341706 /nfs/dbraw/zinc/34/17/06/1367341706.db2.gz YHRZGZLTBAEKHM-LJQANCHMSA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C1CC1)N(C)C ZINC001406160069 1367341714 /nfs/dbraw/zinc/34/17/14/1367341714.db2.gz YHRZGZLTBAEKHM-LJQANCHMSA-N 1 3 331.504 2.794 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001406206923 1367404132 /nfs/dbraw/zinc/40/41/32/1367404132.db2.gz WIZRMPGDMYLDCC-IEBWSBKVSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001406310800 1367466036 /nfs/dbraw/zinc/46/60/36/1367466036.db2.gz PWRSRODDHLTHPG-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H]([NH2+]CCN(CC)C(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001406334580 1367497313 /nfs/dbraw/zinc/49/73/13/1367497313.db2.gz VLLNJMUTQRXHHF-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001406396645 1367545420 /nfs/dbraw/zinc/54/54/20/1367545420.db2.gz PHIMFSWVLYUKCK-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)CC[NH+]1CCCCC1 ZINC001406426471 1367578263 /nfs/dbraw/zinc/57/82/63/1367578263.db2.gz BXDBSQUPHKOASJ-MRXNPFEDSA-N 1 3 343.471 2.903 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001406435661 1367588994 /nfs/dbraw/zinc/58/89/94/1367588994.db2.gz WBHWQDRPAJTWQJ-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001406527931 1367687978 /nfs/dbraw/zinc/68/79/78/1367687978.db2.gz JOLQFTOPTVIFMR-XEZPLFJOSA-N 1 3 325.884 2.836 20 0 EFADHO CCN(CCNC(=O)CC[NH+]1CCCCC1)Cc1cccc(C)c1 ZINC001437651924 1387895549 /nfs/dbraw/zinc/89/55/49/1387895549.db2.gz QJBFXQRYLWTGJJ-UHFFFAOYSA-N 1 3 331.504 2.809 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)NC(=O)CC[NH+]1CCCCC1 ZINC001406553644 1367719363 /nfs/dbraw/zinc/71/93/63/1367719363.db2.gz BXDBSQUPHKOASJ-INIZCTEOSA-N 1 3 343.471 2.903 20 0 EFADHO C[C@@H](CN(C)Cc1ccc2ncccc2c1)NC(=O)CCC[NH+](C)C ZINC001406656744 1367875312 /nfs/dbraw/zinc/87/53/12/1367875312.db2.gz YVYGCPNHBJEKAU-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccc(F)cc1 ZINC001406770616 1368027411 /nfs/dbraw/zinc/02/74/11/1368027411.db2.gz GVWZWBRUZATHEW-LIRRHRJNSA-N 1 3 347.478 2.855 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H](CNCc1ccccc1F)C1CC1 ZINC001406840646 1368114624 /nfs/dbraw/zinc/11/46/24/1368114624.db2.gz ZSIATDVXCIHAOY-IBGZPJMESA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c(C)s1 ZINC001406918625 1368211657 /nfs/dbraw/zinc/21/16/57/1368211657.db2.gz MPPBRCHPCPFLEB-KRWDZBQOSA-N 1 3 349.544 2.976 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C\Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001407102971 1368427927 /nfs/dbraw/zinc/42/79/27/1368427927.db2.gz ZCZNQKYWOSVKGV-IPUYDCKKSA-N 1 3 348.318 2.616 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001437689413 1387944970 /nfs/dbraw/zinc/94/49/70/1387944970.db2.gz VNQOOQJBQZIAIM-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)CC[N@H+](C)CC)cc1 ZINC001437689413 1387944977 /nfs/dbraw/zinc/94/49/77/1387944977.db2.gz VNQOOQJBQZIAIM-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001437721489 1387969289 /nfs/dbraw/zinc/96/92/89/1387969289.db2.gz YMTYBDLCIKTBIX-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001437721489 1387969292 /nfs/dbraw/zinc/96/92/92/1387969292.db2.gz YMTYBDLCIKTBIX-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)CCC1 ZINC001407852482 1369311012 /nfs/dbraw/zinc/31/10/12/1369311012.db2.gz OYEAJIPJSKCBMS-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)CCC1 ZINC001407852482 1369311018 /nfs/dbraw/zinc/31/10/18/1369311018.db2.gz OYEAJIPJSKCBMS-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001437743766 1387994930 /nfs/dbraw/zinc/99/49/30/1387994930.db2.gz UHRRKRQZSFWPKN-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001437743766 1387994935 /nfs/dbraw/zinc/99/49/35/1387994935.db2.gz UHRRKRQZSFWPKN-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001407921621 1369402587 /nfs/dbraw/zinc/40/25/87/1369402587.db2.gz PPUXRORNJHLZQV-KRWDZBQOSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001407921621 1369402589 /nfs/dbraw/zinc/40/25/89/1369402589.db2.gz PPUXRORNJHLZQV-KRWDZBQOSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1cc(F)ccc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001408166220 1369668305 /nfs/dbraw/zinc/66/83/05/1369668305.db2.gz ADUIABSOFCKLEN-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1cc(F)ccc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001408166197 1369668480 /nfs/dbraw/zinc/66/84/80/1369668480.db2.gz ADUIABSOFCKLEN-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001408179257 1369685940 /nfs/dbraw/zinc/68/59/40/1369685940.db2.gz OTPQZYXDONNUAW-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@@H](C)C1 ZINC001408179257 1369685946 /nfs/dbraw/zinc/68/59/46/1369685946.db2.gz OTPQZYXDONNUAW-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001437760406 1388024642 /nfs/dbraw/zinc/02/46/42/1388024642.db2.gz FHAOLOPGNGPIRY-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001437760406 1388024645 /nfs/dbraw/zinc/02/46/45/1388024645.db2.gz FHAOLOPGNGPIRY-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCC2)CCC1 ZINC001408341748 1369848396 /nfs/dbraw/zinc/84/83/96/1369848396.db2.gz IYSJGUFAQMMIGV-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CCCC2)CCC1 ZINC001408341748 1369848400 /nfs/dbraw/zinc/84/84/00/1369848400.db2.gz IYSJGUFAQMMIGV-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@H+](CCCc1ccsc1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408354874 1369866013 /nfs/dbraw/zinc/86/60/13/1369866013.db2.gz KPWKDRJWWFUIOZ-QGZVFWFLSA-N 1 3 346.500 2.569 20 0 EFADHO C[N@@H+](CCCc1ccsc1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408354874 1369866019 /nfs/dbraw/zinc/86/60/19/1369866019.db2.gz KPWKDRJWWFUIOZ-QGZVFWFLSA-N 1 3 346.500 2.569 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC001414165657 1370059997 /nfs/dbraw/zinc/05/99/97/1370059997.db2.gz XGXPEUMKUWJYPL-QGZVFWFLSA-N 1 3 348.487 2.935 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC001414165657 1370060005 /nfs/dbraw/zinc/06/00/05/1370060005.db2.gz XGXPEUMKUWJYPL-QGZVFWFLSA-N 1 3 348.487 2.935 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC001414165654 1370060465 /nfs/dbraw/zinc/06/04/65/1370060465.db2.gz XGXPEUMKUWJYPL-KRWDZBQOSA-N 1 3 348.487 2.935 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC001414165654 1370060467 /nfs/dbraw/zinc/06/04/67/1370060467.db2.gz XGXPEUMKUWJYPL-KRWDZBQOSA-N 1 3 348.487 2.935 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001414189893 1370078343 /nfs/dbraw/zinc/07/83/43/1370078343.db2.gz ZVLVLKIHGPCIAJ-SJORKVTESA-N 1 3 339.524 2.715 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1C)[N@H+](C)Cc1ccccc1 ZINC001414567577 1370452618 /nfs/dbraw/zinc/45/26/18/1370452618.db2.gz AODKLTOHUWOQET-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1C)[N@@H+](C)Cc1ccccc1 ZINC001414567577 1370452623 /nfs/dbraw/zinc/45/26/23/1370452623.db2.gz AODKLTOHUWOQET-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001437826573 1388119224 /nfs/dbraw/zinc/11/92/24/1388119224.db2.gz CLVMVYQSHVTUFS-SJORKVTESA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001437855912 1388145236 /nfs/dbraw/zinc/14/52/36/1388145236.db2.gz LIKPNCKCAOUDPW-OXQOHEQNSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001417625052 1373102385 /nfs/dbraw/zinc/10/23/85/1373102385.db2.gz KKBBMZCYFQMXPB-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001417625052 1373102389 /nfs/dbraw/zinc/10/23/89/1373102389.db2.gz KKBBMZCYFQMXPB-IBGZPJMESA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001417625053 1373103864 /nfs/dbraw/zinc/10/38/64/1373103864.db2.gz KKBBMZCYFQMXPB-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001417625053 1373103867 /nfs/dbraw/zinc/10/38/67/1373103867.db2.gz KKBBMZCYFQMXPB-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671454 1373142868 /nfs/dbraw/zinc/14/28/68/1373142868.db2.gz SZWJBQVXRZMYCT-YZGWKJHDSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671454 1373142874 /nfs/dbraw/zinc/14/28/74/1373142874.db2.gz SZWJBQVXRZMYCT-YZGWKJHDSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H]1CCN1CCCc1ccccc1)[NH+](C)C ZINC001417743734 1373201232 /nfs/dbraw/zinc/20/12/32/1373201232.db2.gz IYDSIMVMFRXPSD-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1C ZINC001417766190 1373230349 /nfs/dbraw/zinc/23/03/49/1373230349.db2.gz ZIJKAKFQSYIMIT-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001417770865 1373234774 /nfs/dbraw/zinc/23/47/74/1373234774.db2.gz UOSISMGFKRHICZ-AHRSYUTCSA-N 1 3 343.515 2.575 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001417773001 1373237078 /nfs/dbraw/zinc/23/70/78/1373237078.db2.gz FKUHLRMIUZVSGK-HDICACEKSA-N 1 3 331.504 2.630 20 0 EFADHO CCCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001417959818 1373455257 /nfs/dbraw/zinc/45/52/57/1373455257.db2.gz OGRPGCAYJWGEOZ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2)N(C)C ZINC001417959816 1373456131 /nfs/dbraw/zinc/45/61/31/1373456131.db2.gz XMWJHPFNDROWGF-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001417980419 1373481506 /nfs/dbraw/zinc/48/15/06/1373481506.db2.gz BFKDMWKMAKTWIX-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)(C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1)N1CCCCC1 ZINC001417980198 1373481557 /nfs/dbraw/zinc/48/15/57/1373481557.db2.gz UTOWVSFYKIVKPT-CQSZACIVSA-N 1 3 349.441 2.688 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001417985092 1373487316 /nfs/dbraw/zinc/48/73/16/1373487316.db2.gz KBTCIFKVFLACIO-LIRRHRJNSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418042619 1373555236 /nfs/dbraw/zinc/55/52/36/1373555236.db2.gz HNFZSOYMIKWPLI-SFHVURJKSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001437953801 1388270348 /nfs/dbraw/zinc/27/03/48/1388270348.db2.gz SKNRHJAZNWXSNL-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001437953801 1388270352 /nfs/dbraw/zinc/27/03/52/1388270352.db2.gz SKNRHJAZNWXSNL-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC001418127776 1373647017 /nfs/dbraw/zinc/64/70/17/1373647017.db2.gz RTHKKUIOUYDCHN-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001418148984 1373676938 /nfs/dbraw/zinc/67/69/38/1373676938.db2.gz VZRNABHGZIOPGC-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001418172335 1373725446 /nfs/dbraw/zinc/72/54/46/1373725446.db2.gz GONXPYXZTANDSS-SJORKVTESA-N 1 3 349.494 2.884 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCC(NC/C(Cl)=C\Cl)CC2)CC1 ZINC001418186147 1373749588 /nfs/dbraw/zinc/74/95/88/1373749588.db2.gz MUAGVPWEKDBLGF-FMIVXFBMSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001418275502 1373845381 /nfs/dbraw/zinc/84/53/81/1373845381.db2.gz MFSXKLPTYCAJQI-CYBMUJFWSA-N 1 3 339.549 2.937 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001418275506 1373845584 /nfs/dbraw/zinc/84/55/84/1373845584.db2.gz MFSXKLPTYCAJQI-ZDUSSCGKSA-N 1 3 339.549 2.937 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001418334307 1373914322 /nfs/dbraw/zinc/91/43/22/1373914322.db2.gz YBTBZAOOCKOIMN-IBGZPJMESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001418350776 1373923496 /nfs/dbraw/zinc/92/34/96/1373923496.db2.gz SOAVJVCNKKWRTA-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001418384449 1373965867 /nfs/dbraw/zinc/96/58/67/1373965867.db2.gz MKTWKEATBJJTPJ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001418384449 1373965877 /nfs/dbraw/zinc/96/58/77/1373965877.db2.gz MKTWKEATBJJTPJ-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001418384451 1373966089 /nfs/dbraw/zinc/96/60/89/1373966089.db2.gz MKTWKEATBJJTPJ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001418384451 1373966092 /nfs/dbraw/zinc/96/60/92/1373966092.db2.gz MKTWKEATBJJTPJ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001437981709 1388292742 /nfs/dbraw/zinc/29/27/42/1388292742.db2.gz RUZASWHOMPQESK-MNDMWVCDSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001418402870 1373983473 /nfs/dbraw/zinc/98/34/73/1373983473.db2.gz PACBRICFLRIHQZ-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001418476930 1374071323 /nfs/dbraw/zinc/07/13/23/1374071323.db2.gz HMHZDGBPLLWNDI-OAHLLOKOSA-N 1 3 333.451 2.563 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(C(F)F)cc1 ZINC001418488919 1374084221 /nfs/dbraw/zinc/08/42/21/1374084221.db2.gz GTYAZRCQCBNFOY-UHFFFAOYSA-N 1 3 339.430 2.514 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCc2c1cccc2F ZINC001418568414 1374198107 /nfs/dbraw/zinc/19/81/07/1374198107.db2.gz VMDROAHCUUDBPS-GOSISDBHSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001418598778 1374248062 /nfs/dbraw/zinc/24/80/62/1374248062.db2.gz WYDUVJRDYINPIJ-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001418598778 1374248065 /nfs/dbraw/zinc/24/80/65/1374248065.db2.gz WYDUVJRDYINPIJ-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418660160 1374335654 /nfs/dbraw/zinc/33/56/54/1374335654.db2.gz PIDOFTWSPKRRNQ-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418660160 1374335656 /nfs/dbraw/zinc/33/56/56/1374335656.db2.gz PIDOFTWSPKRRNQ-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001418673760 1374350899 /nfs/dbraw/zinc/35/08/99/1374350899.db2.gz PCFLXRMGBZCZNS-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001418673760 1374350902 /nfs/dbraw/zinc/35/09/02/1374350902.db2.gz PCFLXRMGBZCZNS-LJQANCHMSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001418683259 1374365138 /nfs/dbraw/zinc/36/51/38/1374365138.db2.gz AGDYCBANPGUYAS-WDSOQIARSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001418685695 1374367838 /nfs/dbraw/zinc/36/78/38/1374367838.db2.gz RSUHKHPOPLWDLU-BZUAXINKSA-N 1 3 347.478 2.855 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C)c1 ZINC001418726487 1374422727 /nfs/dbraw/zinc/42/27/27/1374422727.db2.gz DUIAJKYHQIRXIH-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C)c1 ZINC001418726487 1374422729 /nfs/dbraw/zinc/42/27/29/1374422729.db2.gz DUIAJKYHQIRXIH-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001418775384 1374486925 /nfs/dbraw/zinc/48/69/25/1374486925.db2.gz GBPICMLXIQHDHI-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799072 1374517860 /nfs/dbraw/zinc/51/78/60/1374517860.db2.gz SSVZTEXYUBQKNR-GOEBONIOSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799072 1374517863 /nfs/dbraw/zinc/51/78/63/1374517863.db2.gz SSVZTEXYUBQKNR-GOEBONIOSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc2c(c1)CCC2 ZINC001418812369 1374533443 /nfs/dbraw/zinc/53/34/43/1374533443.db2.gz SUJYJHJFEWSASG-INIZCTEOSA-N 1 3 343.515 2.769 20 0 EFADHO CCCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCN(CC)C1 ZINC001418875892 1374612285 /nfs/dbraw/zinc/61/22/85/1374612285.db2.gz PNELWJXBEQOMQM-LJQANCHMSA-N 1 3 331.504 2.737 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CCc3cccs3)C2)CCC1 ZINC001418892571 1374642518 /nfs/dbraw/zinc/64/25/18/1374642518.db2.gz RBBGVOZFWKBLEM-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CCc3cccs3)C2)CCC1 ZINC001418892571 1374642523 /nfs/dbraw/zinc/64/25/23/1374642523.db2.gz RBBGVOZFWKBLEM-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941539 1374711846 /nfs/dbraw/zinc/71/18/46/1374711846.db2.gz RSOXNRSVHJCOCT-IAGOWNOFSA-N 1 3 325.541 2.791 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941539 1374711851 /nfs/dbraw/zinc/71/18/51/1374711851.db2.gz RSOXNRSVHJCOCT-IAGOWNOFSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CN(C)CCF)CC1)[NH+]1CCCCC1 ZINC001418948522 1374722904 /nfs/dbraw/zinc/72/29/04/1374722904.db2.gz XSQYCAXDXQKADT-SFHVURJKSA-N 1 3 341.515 2.637 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CC2CCCCCC2)C1)CC(C)(C)C ZINC001419039816 1374783755 /nfs/dbraw/zinc/78/37/55/1374783755.db2.gz SPRHAORSKKPFRU-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001419042024 1374784866 /nfs/dbraw/zinc/78/48/66/1374784866.db2.gz MFQOPEKFTPSUPW-QFBILLFUSA-N 1 3 331.504 2.690 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CCCC2CCCC2)C1)CC(C)(C)C ZINC001419041069 1374784948 /nfs/dbraw/zinc/78/49/48/1374784948.db2.gz ZRUMMXCDPZDOMA-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001419063576 1374804468 /nfs/dbraw/zinc/80/44/68/1374804468.db2.gz MFCHDBVDASOZBL-ZWKOTPCHSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001419063576 1374804472 /nfs/dbraw/zinc/80/44/72/1374804472.db2.gz MFCHDBVDASOZBL-ZWKOTPCHSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1)C1CCC1 ZINC001419077640 1374817317 /nfs/dbraw/zinc/81/73/17/1374817317.db2.gz HAKIDOHOZCUSKU-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001419078378 1374817914 /nfs/dbraw/zinc/81/79/14/1374817914.db2.gz QPPJZFRDWPMZCX-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419081059 1374821259 /nfs/dbraw/zinc/82/12/59/1374821259.db2.gz UWDHTOXDTLDGQB-SCTDSRPQSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419081059 1374821262 /nfs/dbraw/zinc/82/12/62/1374821262.db2.gz UWDHTOXDTLDGQB-SCTDSRPQSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001419101298 1374844445 /nfs/dbraw/zinc/84/44/45/1374844445.db2.gz CPINIJRIZJJUHM-LJQANCHMSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001419188849 1374934444 /nfs/dbraw/zinc/93/44/44/1374934444.db2.gz GJUOQQAEKUVLGL-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cnccc1C ZINC001419195219 1374940977 /nfs/dbraw/zinc/94/09/77/1374940977.db2.gz HWEVSOBYLJMMOR-SFHVURJKSA-N 1 3 346.519 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001419206630 1374952589 /nfs/dbraw/zinc/95/25/89/1374952589.db2.gz MDVSJRWACWMNPC-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001419235425 1374982563 /nfs/dbraw/zinc/98/25/63/1374982563.db2.gz AZSWICLOCDRYSM-IAGOWNOFSA-N 1 3 339.911 2.911 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC001419252232 1374998833 /nfs/dbraw/zinc/99/88/33/1374998833.db2.gz BHJWSFSLBJFZPT-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)ccc1C ZINC001419266835 1375014067 /nfs/dbraw/zinc/01/40/67/1375014067.db2.gz YVSOZYOBYPUCBW-RTBURBONSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001419301127 1375061488 /nfs/dbraw/zinc/06/14/88/1375061488.db2.gz UVAHVOZNVLVIFO-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C)c(F)c2)CCCC1)N(C)C ZINC001419305037 1375068029 /nfs/dbraw/zinc/06/80/29/1375068029.db2.gz PQYSCDCRJZFNKS-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CCC3CC3)C2)CC1 ZINC001419332083 1375116205 /nfs/dbraw/zinc/11/62/05/1375116205.db2.gz IAXJGWMCPPPECB-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CCC3CC3)C2)CC1 ZINC001419332083 1375116211 /nfs/dbraw/zinc/11/62/11/1375116211.db2.gz IAXJGWMCPPPECB-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cc1C)C1CC1)N(C)C ZINC001419348816 1375144698 /nfs/dbraw/zinc/14/46/98/1375144698.db2.gz XVXSFICRGVIWDK-ICSRJNTNSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+](CC)CC ZINC001419414079 1375240277 /nfs/dbraw/zinc/24/02/77/1375240277.db2.gz QPCJHVXXSLISBB-AVGNSLFASA-N 1 3 336.307 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001419439677 1375275437 /nfs/dbraw/zinc/27/54/37/1375275437.db2.gz QVIJNILZOYXSBS-MGHWNKPDSA-N 1 3 335.467 2.710 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419549313 1375433536 /nfs/dbraw/zinc/43/35/36/1375433536.db2.gz XWZDYTOFFIOICC-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419549313 1375433542 /nfs/dbraw/zinc/43/35/42/1375433542.db2.gz XWZDYTOFFIOICC-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1)[NH+](C)C ZINC001419554413 1375443278 /nfs/dbraw/zinc/44/32/78/1375443278.db2.gz IWWKCFTVAHLRHH-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCCC1 ZINC001419606086 1375525156 /nfs/dbraw/zinc/52/51/56/1375525156.db2.gz KEUOYABSVIGIPW-MLBQELRYSA-N 1 3 327.900 2.630 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629516 1375587808 /nfs/dbraw/zinc/58/78/08/1375587808.db2.gz ZHCIAYOLYFYJPV-WMLDXEAASA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2nc[nH]c2C)C1 ZINC001419629516 1375587816 /nfs/dbraw/zinc/58/78/16/1375587816.db2.gz ZHCIAYOLYFYJPV-WMLDXEAASA-N 1 3 334.508 2.914 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001419631221 1375592128 /nfs/dbraw/zinc/59/21/28/1375592128.db2.gz IQDRMVCXZCJRSO-HZPDHXFCSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001419631221 1375592139 /nfs/dbraw/zinc/59/21/39/1375592139.db2.gz IQDRMVCXZCJRSO-HZPDHXFCSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001419638268 1375611775 /nfs/dbraw/zinc/61/17/75/1375611775.db2.gz SVRYGVCOXDBSLI-GRNKITJOSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21)[NH+](C)C ZINC001419642072 1375622528 /nfs/dbraw/zinc/62/25/28/1375622528.db2.gz VIBCXCIIBIFFJA-UVMNYOIOSA-N 1 3 347.478 2.519 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001438162184 1388391012 /nfs/dbraw/zinc/39/10/12/1388391012.db2.gz WVZUGALXQDRHGZ-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001438162184 1388391015 /nfs/dbraw/zinc/39/10/15/1388391015.db2.gz WVZUGALXQDRHGZ-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001419767974 1375843325 /nfs/dbraw/zinc/84/33/25/1375843325.db2.gz FEEIJRCXAGQKOH-INIZCTEOSA-N 1 3 331.504 2.889 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438191260 1388408144 /nfs/dbraw/zinc/40/81/44/1388408144.db2.gz BJTWBDCUJUJXEJ-GBESFXJTSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001438191260 1388408147 /nfs/dbraw/zinc/40/81/47/1388408147.db2.gz BJTWBDCUJUJXEJ-GBESFXJTSA-N 1 3 331.504 2.914 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001419852992 1376005807 /nfs/dbraw/zinc/00/58/07/1376005807.db2.gz QUDNTACTLPQSRY-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(F)cc1C)C(C)C)N(C)C ZINC001419944672 1376170683 /nfs/dbraw/zinc/17/06/83/1376170683.db2.gz PTNNOOWWBDMBLN-ROUUACIJSA-N 1 3 337.483 2.705 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCCN1C ZINC001419974395 1376216825 /nfs/dbraw/zinc/21/68/25/1376216825.db2.gz ZNGDKDSKNXSFRY-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCCN1C ZINC001419974395 1376216826 /nfs/dbraw/zinc/21/68/26/1376216826.db2.gz ZNGDKDSKNXSFRY-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2ccc(F)cc21)C(=O)C1(C[NH+](C)C)CC1 ZINC001420015442 1376288162 /nfs/dbraw/zinc/28/81/62/1376288162.db2.gz OWPRXZZXCJUORY-GOSISDBHSA-N 1 3 347.478 2.545 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001420037240 1376343208 /nfs/dbraw/zinc/34/32/08/1376343208.db2.gz QRPCOAYGBQLFJH-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001420037240 1376343223 /nfs/dbraw/zinc/34/32/23/1376343223.db2.gz QRPCOAYGBQLFJH-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001420045336 1376367294 /nfs/dbraw/zinc/36/72/94/1376367294.db2.gz GSIGBDXERCQKLP-ICSRJNTNSA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001420045336 1376367308 /nfs/dbraw/zinc/36/73/08/1376367308.db2.gz GSIGBDXERCQKLP-ICSRJNTNSA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001420045342 1376367492 /nfs/dbraw/zinc/36/74/92/1376367492.db2.gz GSIGBDXERCQKLP-UYAOXDASSA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)CC[C@H]1CCc2ccccc21)N(C)C ZINC001420045342 1376367500 /nfs/dbraw/zinc/36/75/00/1376367500.db2.gz GSIGBDXERCQKLP-UYAOXDASSA-N 1 3 345.531 2.837 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001420054959 1376391445 /nfs/dbraw/zinc/39/14/45/1376391445.db2.gz ZOPAROUYAQCSAU-ROUUACIJSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001420054959 1376391454 /nfs/dbraw/zinc/39/14/54/1376391454.db2.gz ZOPAROUYAQCSAU-ROUUACIJSA-N 1 3 335.467 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccc2F)C1 ZINC001420078065 1376429194 /nfs/dbraw/zinc/42/91/94/1376429194.db2.gz OAYWLWUIDRRGHZ-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2F)C1 ZINC001420078065 1376429200 /nfs/dbraw/zinc/42/92/00/1376429200.db2.gz OAYWLWUIDRRGHZ-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420246182 1376608677 /nfs/dbraw/zinc/60/86/77/1376608677.db2.gz ZZSMSFZWASQIOB-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001420246182 1376608679 /nfs/dbraw/zinc/60/86/79/1376608679.db2.gz ZZSMSFZWASQIOB-CQSZACIVSA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001420248827 1376614876 /nfs/dbraw/zinc/61/48/76/1376614876.db2.gz GUAWHBADGKIDJR-JXFKEZNVSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001420248827 1376614887 /nfs/dbraw/zinc/61/48/87/1376614887.db2.gz GUAWHBADGKIDJR-JXFKEZNVSA-N 1 3 345.531 2.871 20 0 EFADHO CCCc1ccc(CN(C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001420281856 1376662416 /nfs/dbraw/zinc/66/24/16/1376662416.db2.gz MUKDERHLXBUASH-UHFFFAOYSA-N 1 3 331.504 2.529 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001420301106 1376692800 /nfs/dbraw/zinc/69/28/00/1376692800.db2.gz SHMUDEWBIQGEIO-IGCXYCKISA-N 1 3 341.446 2.706 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001420304139 1376695999 /nfs/dbraw/zinc/69/59/99/1376695999.db2.gz BDKGPLVIEZRSLU-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001420304139 1376696022 /nfs/dbraw/zinc/69/60/22/1376696022.db2.gz BDKGPLVIEZRSLU-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)Cc1cccc(C(F)F)c1)[NH+](C)C ZINC001420337264 1376758458 /nfs/dbraw/zinc/75/84/58/1376758458.db2.gz DOZIKZRWSAOKOL-MRXNPFEDSA-N 1 3 341.446 2.758 20 0 EFADHO Cc1cccc([C@@H](C)N(C)CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001420350325 1376783748 /nfs/dbraw/zinc/78/37/48/1376783748.db2.gz ONNHARGMNGRQOQ-GOSISDBHSA-N 1 3 331.504 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCc1ccc(C)cc1 ZINC001420356350 1376794474 /nfs/dbraw/zinc/79/44/74/1376794474.db2.gz GLKJDUWHBZXSQU-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCc1ccc(C)cc1 ZINC001420356350 1376794482 /nfs/dbraw/zinc/79/44/82/1376794482.db2.gz GLKJDUWHBZXSQU-HXUWFJFHSA-N 1 3 345.531 2.850 20 0 EFADHO CCc1ccc(CC[N@H+]2CC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001420540263 1377156682 /nfs/dbraw/zinc/15/66/82/1377156682.db2.gz JAIYCPCZBGHWQI-UXHICEINSA-N 1 3 345.531 2.570 20 0 EFADHO CCc1ccc(CC[N@@H+]2CC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001420540263 1377156685 /nfs/dbraw/zinc/15/66/85/1377156685.db2.gz JAIYCPCZBGHWQI-UXHICEINSA-N 1 3 345.531 2.570 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001420550818 1377176944 /nfs/dbraw/zinc/17/69/44/1377176944.db2.gz CCYZQBNSQJXICK-QGZVFWFLSA-N 1 3 347.478 2.640 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)c(F)c1 ZINC001420592053 1377268647 /nfs/dbraw/zinc/26/86/47/1377268647.db2.gz NWPGALALRNTXHS-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)c(F)c1 ZINC001420592053 1377268652 /nfs/dbraw/zinc/26/86/52/1377268652.db2.gz NWPGALALRNTXHS-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1ccc(F)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616359 1377333111 /nfs/dbraw/zinc/33/31/11/1377333111.db2.gz UFEXHCFURRJCNB-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CC1CC(F)(F)C1 ZINC001438301930 1388494026 /nfs/dbraw/zinc/49/40/26/1388494026.db2.gz JAXQVLPMAUSXTL-OAHLLOKOSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001420663104 1377450393 /nfs/dbraw/zinc/45/03/93/1377450393.db2.gz ZQHQAGOISWHUOC-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001420663104 1377450396 /nfs/dbraw/zinc/45/03/96/1377450396.db2.gz ZQHQAGOISWHUOC-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001420668084 1377460907 /nfs/dbraw/zinc/46/09/07/1377460907.db2.gz XUHNDCOXDBRMCW-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001420668084 1377460911 /nfs/dbraw/zinc/46/09/11/1377460911.db2.gz XUHNDCOXDBRMCW-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001420668509 1377466995 /nfs/dbraw/zinc/46/69/95/1377466995.db2.gz ZTNZOOMMSSCLCF-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001420668509 1377466999 /nfs/dbraw/zinc/46/69/99/1377466999.db2.gz ZTNZOOMMSSCLCF-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO C[C@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001420726674 1377572920 /nfs/dbraw/zinc/57/29/20/1377572920.db2.gz MSVPAFXHQBAFNO-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1c(C)cc(C)cc1C)C1CC1)N(C)C ZINC001420761438 1377614563 /nfs/dbraw/zinc/61/45/63/1377614563.db2.gz LWFBGSJPTDMUST-UXHICEINSA-N 1 3 345.531 2.936 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccnc1 ZINC001438332783 1388512930 /nfs/dbraw/zinc/51/29/30/1388512930.db2.gz JBLUQYPORJNNAR-SFHVURJKSA-N 1 3 346.519 2.578 20 0 EFADHO CC(C)(C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001420845954 1377766444 /nfs/dbraw/zinc/76/64/44/1377766444.db2.gz DZSDUXUELNASJX-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001420845954 1377766449 /nfs/dbraw/zinc/76/64/49/1377766449.db2.gz DZSDUXUELNASJX-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001420882860 1377830938 /nfs/dbraw/zinc/83/09/38/1377830938.db2.gz HZEAENJWWVLXIR-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001420882860 1377830942 /nfs/dbraw/zinc/83/09/42/1377830942.db2.gz HZEAENJWWVLXIR-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001420954995 1377935354 /nfs/dbraw/zinc/93/53/54/1377935354.db2.gz UWIJBJXBLNQGBR-INIZCTEOSA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001420954995 1377935358 /nfs/dbraw/zinc/93/53/58/1377935358.db2.gz UWIJBJXBLNQGBR-INIZCTEOSA-N 1 3 334.508 2.805 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3ccc(Cl)cc3)CC2)CCC1 ZINC001420961465 1377944391 /nfs/dbraw/zinc/94/43/91/1377944391.db2.gz WCSRCRUWGJQXPF-UHFFFAOYSA-N 1 3 349.906 2.605 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001421014213 1378021590 /nfs/dbraw/zinc/02/15/90/1378021590.db2.gz NJMFYDINCXQHDC-GOSISDBHSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001421014213 1378021595 /nfs/dbraw/zinc/02/15/95/1378021595.db2.gz NJMFYDINCXQHDC-GOSISDBHSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001438356757 1388530684 /nfs/dbraw/zinc/53/06/84/1388530684.db2.gz GLTPEMHZXWLQAI-SJLPKXTDSA-N 1 3 340.471 2.823 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C/Cl)CCN1C(=O)CCC[NH+](C)C ZINC001421098723 1378123059 /nfs/dbraw/zinc/12/30/59/1378123059.db2.gz DYLMCWBRGTZWOB-NKMUALHBSA-N 1 3 336.307 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C[C@@H]1C ZINC001421107950 1378136817 /nfs/dbraw/zinc/13/68/17/1378136817.db2.gz PYVJGTFQSRVXKU-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001421247180 1378341462 /nfs/dbraw/zinc/34/14/62/1378341462.db2.gz AENHPARRQCJNRP-PZJWPPBQSA-N 1 3 345.531 2.972 20 0 EFADHO CN(CC(=O)NCC1(C)CC[NH+](CCCF)CC1)CC(C)(C)C ZINC001421272074 1378388558 /nfs/dbraw/zinc/38/85/58/1378388558.db2.gz LZAMKKFYFIMHPH-UHFFFAOYSA-N 1 3 329.504 2.542 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1ccccc1Cl ZINC001421453217 1378636809 /nfs/dbraw/zinc/63/68/09/1378636809.db2.gz ZOEBYLBVDMNKJC-MRXNPFEDSA-N 1 3 337.895 2.666 20 0 EFADHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC=C(Cl)Cl ZINC001421497535 1378697156 /nfs/dbraw/zinc/69/71/56/1378697156.db2.gz KIKCBUCTJINGHS-ZDUSSCGKSA-N 1 3 336.307 2.666 20 0 EFADHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC=C(Cl)Cl ZINC001421497534 1378697281 /nfs/dbraw/zinc/69/72/81/1378697281.db2.gz KIKCBUCTJINGHS-CYBMUJFWSA-N 1 3 336.307 2.666 20 0 EFADHO Cc1ccc(C[NH2+]CC2(NC(=O)CN3CC[C@H](C)C3)CCCC2)cc1 ZINC001438405602 1388565122 /nfs/dbraw/zinc/56/51/22/1388565122.db2.gz YOSFHIHKPMAPOI-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@@H](NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526366 1378750599 /nfs/dbraw/zinc/75/05/99/1378750599.db2.gz HQKOKBNZMQAKQV-CVEARBPZSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@@H](NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526366 1378750603 /nfs/dbraw/zinc/75/06/03/1378750603.db2.gz HQKOKBNZMQAKQV-CVEARBPZSA-N 1 3 347.478 2.857 20 0 EFADHO CC1CC(C[NH2+]Cc2ccc(CNC(=O)C3(N(C)C)CCC3)cc2)C1 ZINC001421613900 1378886081 /nfs/dbraw/zinc/88/60/81/1378886081.db2.gz BRAVQUBPTCGVHY-UHFFFAOYSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1cc(CN2C[C@@H]3CCCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)cs1 ZINC001421638652 1378927431 /nfs/dbraw/zinc/92/74/31/1378927431.db2.gz ZTCKSQUUCIIKII-ZWKOTPCHSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1 ZINC001421747896 1379074127 /nfs/dbraw/zinc/07/41/27/1379074127.db2.gz PYZUJNYVSASOTN-GOSISDBHSA-N 1 3 347.478 2.829 20 0 EFADHO CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001421852881 1379240866 /nfs/dbraw/zinc/24/08/66/1379240866.db2.gz PZXSHRRQCPOTPG-QGZVFWFLSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422029282 1379513112 /nfs/dbraw/zinc/51/31/12/1379513112.db2.gz KWZPFMAUECVQKS-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422029286 1379513207 /nfs/dbraw/zinc/51/32/07/1379513207.db2.gz KWZPFMAUECVQKS-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2)[C@H](C)C1 ZINC001422034119 1379519084 /nfs/dbraw/zinc/51/90/84/1379519084.db2.gz SVIVWTOMFNNSJG-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1ccccc1Cl ZINC001422038585 1379525788 /nfs/dbraw/zinc/52/57/88/1379525788.db2.gz HCYASQYXDRIZNM-YOEHRIQHSA-N 1 3 349.906 2.618 20 0 EFADHO C[NH+](C)CCCC(=O)NCCC1CCN(Cc2ccccc2F)CC1 ZINC001438453335 1388617123 /nfs/dbraw/zinc/61/71/23/1388617123.db2.gz AIWAHPJRUBFWDM-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCc1ccccc1F ZINC001422094790 1379603872 /nfs/dbraw/zinc/60/38/72/1379603872.db2.gz KUYYGHBUVWNHLC-GOSISDBHSA-N 1 3 349.494 2.583 20 0 EFADHO Cc1ccc(F)cc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001422131366 1379659611 /nfs/dbraw/zinc/65/96/11/1379659611.db2.gz RMPJKJOUZHORJY-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001422153944 1379694669 /nfs/dbraw/zinc/69/46/69/1379694669.db2.gz VVIVAHFSVQTKHG-ROUUACIJSA-N 1 3 335.467 2.761 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001422153944 1379694672 /nfs/dbraw/zinc/69/46/72/1379694672.db2.gz VVIVAHFSVQTKHG-ROUUACIJSA-N 1 3 335.467 2.761 20 0 EFADHO COc1ccc([C@@H]2CN(CC[N@H+](C)Cc3ccccc3)CCN2)cc1 ZINC001422160652 1379703165 /nfs/dbraw/zinc/70/31/65/1379703165.db2.gz INIKYZRIWGJWHY-NRFANRHFSA-N 1 3 339.483 2.774 20 0 EFADHO COc1ccc([C@@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCN2)cc1 ZINC001422160652 1379703170 /nfs/dbraw/zinc/70/31/70/1379703170.db2.gz INIKYZRIWGJWHY-NRFANRHFSA-N 1 3 339.483 2.774 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1c2ccccc2CCN1CC1CC1)[NH+](C)C ZINC001422175309 1379727033 /nfs/dbraw/zinc/72/70/33/1379727033.db2.gz AWFBDKORUDBHPO-PMACEKPBSA-N 1 3 343.515 2.698 20 0 EFADHO CCc1cccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001422177143 1379730314 /nfs/dbraw/zinc/73/03/14/1379730314.db2.gz SFLCRIAQVRPGNV-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001422177143 1379730319 /nfs/dbraw/zinc/73/03/19/1379730319.db2.gz SFLCRIAQVRPGNV-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001422202061 1379763567 /nfs/dbraw/zinc/76/35/67/1379763567.db2.gz SVDTZJQHMTTYIL-FXAWDEMLSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001422202061 1379763568 /nfs/dbraw/zinc/76/35/68/1379763568.db2.gz SVDTZJQHMTTYIL-FXAWDEMLSA-N 1 3 343.515 2.796 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCN(C)CCc2ccccc2)C1 ZINC001422204125 1379766086 /nfs/dbraw/zinc/76/60/86/1379766086.db2.gz PQBQOHKJLQBMCV-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCN(C)CCc2ccccc2)C1 ZINC001422204125 1379766089 /nfs/dbraw/zinc/76/60/89/1379766089.db2.gz PQBQOHKJLQBMCV-FQEVSTJZSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2csc(C)c2)C1 ZINC001422244839 1379850121 /nfs/dbraw/zinc/85/01/21/1379850121.db2.gz IGSQTLOBHBUMBY-ROUUACIJSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2csc(C)c2)C1 ZINC001422244839 1379850124 /nfs/dbraw/zinc/85/01/24/1379850124.db2.gz IGSQTLOBHBUMBY-ROUUACIJSA-N 1 3 349.544 2.821 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001422247428 1379855604 /nfs/dbraw/zinc/85/56/04/1379855604.db2.gz NATWIWWQTUBDDD-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001422247428 1379855607 /nfs/dbraw/zinc/85/56/07/1379855607.db2.gz NATWIWWQTUBDDD-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001438477452 1388633349 /nfs/dbraw/zinc/63/33/49/1388633349.db2.gz CWLGPRNRGNPRIL-HKUYNNGSSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001422262934 1379879794 /nfs/dbraw/zinc/87/97/94/1379879794.db2.gz BEEKTYIQBRARNV-RBUKOAKNSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001438477459 1388633751 /nfs/dbraw/zinc/63/37/51/1388633751.db2.gz CWLGPRNRGNPRIL-MJGOQNOKSA-N 1 3 331.504 2.710 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001422288133 1379898932 /nfs/dbraw/zinc/89/89/32/1379898932.db2.gz WBMCYQPGIJQHQA-RTBURBONSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001422288111 1379899184 /nfs/dbraw/zinc/89/91/84/1379899184.db2.gz WBMCYQPGIJQHQA-MOPGFXCFSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001438496243 1388640931 /nfs/dbraw/zinc/64/09/31/1388640931.db2.gz DTDXTFYTCORWOJ-VQIMIIECSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001438499556 1388641737 /nfs/dbraw/zinc/64/17/37/1388641737.db2.gz OYRFKINCBPRNLY-DOTOQJQBSA-N 1 3 331.504 2.882 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]Cc2cccnc2)CC1)N(C)C ZINC001422418716 1380064837 /nfs/dbraw/zinc/06/48/37/1380064837.db2.gz GBRQEXIUROWPDD-CTWPCTMYSA-N 1 3 346.519 2.527 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001438502964 1388643284 /nfs/dbraw/zinc/64/32/84/1388643284.db2.gz YTDFKSSPYYIAEI-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001422463580 1380148468 /nfs/dbraw/zinc/14/84/68/1380148468.db2.gz QMXHDNXCYOISDA-SFHVURJKSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001422526990 1380256008 /nfs/dbraw/zinc/25/60/08/1380256008.db2.gz NJYQDAHFJNIWOM-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001422526990 1380256011 /nfs/dbraw/zinc/25/60/11/1380256011.db2.gz NJYQDAHFJNIWOM-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422529582 1380262193 /nfs/dbraw/zinc/26/21/93/1380262193.db2.gz OWJRZJLXPBMAIP-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422529582 1380262195 /nfs/dbraw/zinc/26/21/95/1380262195.db2.gz OWJRZJLXPBMAIP-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001422560867 1380325384 /nfs/dbraw/zinc/32/53/84/1380325384.db2.gz LPIPAKYFRORYSZ-SFHVURJKSA-N 1 3 347.547 2.952 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001422560867 1380325388 /nfs/dbraw/zinc/32/53/88/1380325388.db2.gz LPIPAKYFRORYSZ-SFHVURJKSA-N 1 3 347.547 2.952 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001422585145 1380369034 /nfs/dbraw/zinc/36/90/34/1380369034.db2.gz IGKYAVCRBIFSME-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001422585145 1380369037 /nfs/dbraw/zinc/36/90/37/1380369037.db2.gz IGKYAVCRBIFSME-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001422592572 1380389782 /nfs/dbraw/zinc/38/97/82/1380389782.db2.gz XMPHDOFZVBJRCF-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001422592572 1380389791 /nfs/dbraw/zinc/38/97/91/1380389791.db2.gz XMPHDOFZVBJRCF-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](NCc3cc(Cl)ccc3F)C2)CC1 ZINC001422655183 1380496650 /nfs/dbraw/zinc/49/66/50/1380496650.db2.gz POAHWTQLHDFKDF-HNNXBMFYSA-N 1 3 325.859 2.737 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@H](CCO)c2cccs2)cc1 ZINC001422664801 1380531919 /nfs/dbraw/zinc/53/19/19/1380531919.db2.gz GQDLHNMNXGUUMO-QGZVFWFLSA-N 1 3 334.485 2.902 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]C/C=C/Cl ZINC001422676844 1380564070 /nfs/dbraw/zinc/56/40/70/1380564070.db2.gz OQLNUKGCEFNTIO-MPNRVQBSSA-N 1 3 343.943 2.934 20 0 EFADHO Cc1cccc([C@@H](C)N2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001422732437 1380730998 /nfs/dbraw/zinc/73/09/98/1380730998.db2.gz JZLWQYDWOCRJDT-IAGOWNOFSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001422735920 1380734505 /nfs/dbraw/zinc/73/45/05/1380734505.db2.gz UOGMGOMBBGUQSQ-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001422751028 1380755098 /nfs/dbraw/zinc/75/50/98/1380755098.db2.gz ANMPUKKCZCGDHC-IAGOWNOFSA-N 1 3 331.504 2.834 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001422754907 1380762361 /nfs/dbraw/zinc/76/23/61/1380762361.db2.gz RQLFRZPDOZCYOP-LPHOPBHVSA-N 1 3 331.504 2.580 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001422901766 1381028190 /nfs/dbraw/zinc/02/81/90/1381028190.db2.gz RBKYVPYINVSOLN-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1ccc2ncccc2c1 ZINC001422901766 1381028195 /nfs/dbraw/zinc/02/81/95/1381028195.db2.gz RBKYVPYINVSOLN-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001422922304 1381063510 /nfs/dbraw/zinc/06/35/10/1381063510.db2.gz IDFYGYXEYZNSHB-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001422925735 1381069552 /nfs/dbraw/zinc/06/95/52/1381069552.db2.gz HOOHUGAWJYXICK-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422932619 1381083655 /nfs/dbraw/zinc/08/36/55/1381083655.db2.gz GYHQHVUMPLHJHZ-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422932619 1381083658 /nfs/dbraw/zinc/08/36/58/1381083658.db2.gz GYHQHVUMPLHJHZ-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423077237 1381309070 /nfs/dbraw/zinc/30/90/70/1381309070.db2.gz OGCCPKBMPFJEEE-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001423134783 1381411543 /nfs/dbraw/zinc/41/15/43/1381411543.db2.gz OBTFVAITQISDOG-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001423196942 1381557901 /nfs/dbraw/zinc/55/79/01/1381557901.db2.gz MQFGGWTYRUHDAO-OALUTQOASA-N 1 3 345.487 2.862 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001423196942 1381557917 /nfs/dbraw/zinc/55/79/17/1381557917.db2.gz MQFGGWTYRUHDAO-OALUTQOASA-N 1 3 345.487 2.862 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@H]1C ZINC001423319783 1381778211 /nfs/dbraw/zinc/77/82/11/1381778211.db2.gz ABKPEEBRYAHVSK-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)[C@H]1C ZINC001423324010 1381783939 /nfs/dbraw/zinc/78/39/39/1381783939.db2.gz HHOMYZFOKUSGAA-PBHICJAKSA-N 1 3 337.533 2.786 20 0 EFADHO C[C@@H]1C[C@H](NC/C=C/Cl)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001423352348 1381829393 /nfs/dbraw/zinc/82/93/93/1381829393.db2.gz XOZFHNDIYSMXPN-DODUIYEKSA-N 1 3 327.900 2.584 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423382353 1381882790 /nfs/dbraw/zinc/88/27/90/1381882790.db2.gz IKNWXXQEDWZUDU-PKOBYXMFSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@@H]1C ZINC001423446227 1381951277 /nfs/dbraw/zinc/95/12/77/1381951277.db2.gz AAEFNBUXYPEBBG-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2)C[C@H]1C ZINC001423446222 1381951417 /nfs/dbraw/zinc/95/14/17/1381951417.db2.gz AAEFNBUXYPEBBG-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CC1CC(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CCCC2)C1 ZINC001423539015 1382032979 /nfs/dbraw/zinc/03/29/79/1382032979.db2.gz NXTJSTHICMAYTR-HTWSVDAQSA-N 1 3 335.536 2.781 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CCCC1)N(C)C ZINC001423549405 1382049863 /nfs/dbraw/zinc/04/98/63/1382049863.db2.gz XPGOESRRGZTGMD-OALUTQOASA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001423646141 1382217963 /nfs/dbraw/zinc/21/79/63/1382217963.db2.gz PQOOMWVAZPFYQM-FXAWDEMLSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001423676601 1382268853 /nfs/dbraw/zinc/26/88/53/1382268853.db2.gz ZKQJDWBIQDEVPD-MHJFOBGBSA-N 1 3 345.531 2.703 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001423682561 1382279783 /nfs/dbraw/zinc/27/97/83/1382279783.db2.gz NZIBBUWBIXUTPQ-ACBHZAAOSA-N 1 3 331.504 2.660 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001423684081 1382283898 /nfs/dbraw/zinc/28/38/98/1382283898.db2.gz WWSXTPDLMWXDIF-TVPLGVNVSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001423698654 1382311078 /nfs/dbraw/zinc/31/10/78/1382311078.db2.gz FPVSTRZGLLFINP-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001423698654 1382311085 /nfs/dbraw/zinc/31/10/85/1382311085.db2.gz FPVSTRZGLLFINP-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001423952559 1382540384 /nfs/dbraw/zinc/54/03/84/1382540384.db2.gz QQYGZDCPAGFPSS-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001423990075 1382600590 /nfs/dbraw/zinc/60/05/90/1382600590.db2.gz HHOOGTCYJUGLIL-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001423990075 1382600594 /nfs/dbraw/zinc/60/05/94/1382600594.db2.gz HHOOGTCYJUGLIL-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001424042657 1382656933 /nfs/dbraw/zinc/65/69/33/1382656933.db2.gz OEGYZVLZGNQPDE-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001424164566 1382813900 /nfs/dbraw/zinc/81/39/00/1382813900.db2.gz MFNLZVOLUKFKTO-GOSISDBHSA-N 1 3 347.478 2.827 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424659852 1383234481 /nfs/dbraw/zinc/23/44/81/1383234481.db2.gz CZRZINBMRFUXDZ-IZZDOVSWSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424659852 1383234482 /nfs/dbraw/zinc/23/44/82/1383234482.db2.gz CZRZINBMRFUXDZ-IZZDOVSWSA-N 1 3 341.927 2.784 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCCC1)N(C)C ZINC001424687382 1383258579 /nfs/dbraw/zinc/25/85/79/1383258579.db2.gz WYDHVOXHOSJESJ-HSALFYBXSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCC1)C1CCC1 ZINC001424715547 1383289936 /nfs/dbraw/zinc/28/99/36/1383289936.db2.gz XYSPHTJQXGWRQG-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCC1)C1CCC1 ZINC001424715547 1383289945 /nfs/dbraw/zinc/28/99/45/1383289945.db2.gz XYSPHTJQXGWRQG-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCCC2CCC2)C1 ZINC001425247690 1383563668 /nfs/dbraw/zinc/56/36/68/1383563668.db2.gz OXKYVUKAKHWVOH-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(Cc2ccccc2)C1 ZINC001425268435 1383582995 /nfs/dbraw/zinc/58/29/95/1383582995.db2.gz RLXQOJMERUHMBN-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CN(Cc2ccccc2)C1 ZINC001425268437 1383583322 /nfs/dbraw/zinc/58/33/22/1383583322.db2.gz RLXQOJMERUHMBN-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCCc2cccc(F)c2)C1)N(C)C ZINC001425274234 1383584311 /nfs/dbraw/zinc/58/43/11/1383584311.db2.gz VKMXAZGTAUXBHM-BEFAXECRSA-N 1 3 349.494 2.535 20 0 EFADHO CN(CC(=O)N(C)[C@H](C[NH2+]Cc1cccc(F)c1)C1CC1)C1CCC1 ZINC001425497109 1383671996 /nfs/dbraw/zinc/67/19/96/1383671996.db2.gz WQPLULAGHSXGDL-LJQANCHMSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425674434 1383749857 /nfs/dbraw/zinc/74/98/57/1383749857.db2.gz FUZWVKAOBXBIAA-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO Cc1ncccc1CN[C@@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001425680982 1383757788 /nfs/dbraw/zinc/75/77/88/1383757788.db2.gz JJVCJMSWJLSJRC-KRWDZBQOSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ncccc1CN[C@H](C)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001425680989 1383757825 /nfs/dbraw/zinc/75/78/25/1383757825.db2.gz JJVCJMSWJLSJRC-QGZVFWFLSA-N 1 3 346.519 2.593 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001425685962 1383763442 /nfs/dbraw/zinc/76/34/42/1383763442.db2.gz WKMPYOIBJKDJON-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001425969627 1383907835 /nfs/dbraw/zinc/90/78/35/1383907835.db2.gz PPMUZUVTMGDBCH-RTBURBONSA-N 1 3 331.504 2.711 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001426685454 1384489726 /nfs/dbraw/zinc/48/97/26/1384489726.db2.gz UPSINMHMZOLZAV-RBUKOAKNSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001426685454 1384489728 /nfs/dbraw/zinc/48/97/28/1384489728.db2.gz UPSINMHMZOLZAV-RBUKOAKNSA-N 1 3 346.519 2.587 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001426871250 1384606755 /nfs/dbraw/zinc/60/67/55/1384606755.db2.gz MQQVIPAJEZLWET-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001426871250 1384606758 /nfs/dbraw/zinc/60/67/58/1384606758.db2.gz MQQVIPAJEZLWET-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438938082 1388938498 /nfs/dbraw/zinc/93/84/98/1388938498.db2.gz MMHSSKFIDAVHGT-ZBFHGGJFSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438938082 1388938502 /nfs/dbraw/zinc/93/85/02/1388938502.db2.gz MMHSSKFIDAVHGT-ZBFHGGJFSA-N 1 3 337.895 2.743 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCc2cccs2)C1 ZINC001438951352 1388949009 /nfs/dbraw/zinc/94/90/09/1388949009.db2.gz NXOVFHFWVBRURR-WMZOPIPTSA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCc2cccs2)C1 ZINC001438951352 1388949012 /nfs/dbraw/zinc/94/90/12/1388949012.db2.gz NXOVFHFWVBRURR-WMZOPIPTSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001439349577 1389175032 /nfs/dbraw/zinc/17/50/32/1389175032.db2.gz UDCSAFVSQUASAR-MRXNPFEDSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001439401833 1389246655 /nfs/dbraw/zinc/24/66/55/1389246655.db2.gz CWDJUPYSQGPXOH-QGZVFWFLSA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001439908594 1389353467 /nfs/dbraw/zinc/35/34/67/1389353467.db2.gz YIOWECIOVINVGL-OAQYLSRUSA-N 1 3 345.531 2.919 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001440289229 1389507649 /nfs/dbraw/zinc/50/76/49/1389507649.db2.gz JNCNWRIDKLNLPH-RHNCMZPLSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001440325143 1389537300 /nfs/dbraw/zinc/53/73/00/1389537300.db2.gz XJTZDQVEZXQSQD-WOVMCDHWSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1)N(C)C ZINC001440336015 1389543370 /nfs/dbraw/zinc/54/33/70/1389543370.db2.gz ABRLVMJSTDDLFV-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]CC3CCC3)CCC2)c1 ZINC001440354224 1389559209 /nfs/dbraw/zinc/55/92/09/1389559209.db2.gz MAFVNFVFVSEZPG-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001440374128 1389574442 /nfs/dbraw/zinc/57/44/42/1389574442.db2.gz RCFMSXOIKXTCRZ-IYARVYRRSA-N 1 3 340.471 2.508 20 0 EFADHO CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001440417980 1389615196 /nfs/dbraw/zinc/61/51/96/1389615196.db2.gz BEXZPKDMEOGOLN-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001440475874 1389683136 /nfs/dbraw/zinc/68/31/36/1389683136.db2.gz AVLBAGKQPSOTSN-MOPGFXCFSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001440475874 1389683141 /nfs/dbraw/zinc/68/31/41/1389683141.db2.gz AVLBAGKQPSOTSN-MOPGFXCFSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001440475880 1389683403 /nfs/dbraw/zinc/68/34/03/1389683403.db2.gz AVLBAGKQPSOTSN-OALUTQOASA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001440475880 1389683407 /nfs/dbraw/zinc/68/34/07/1389683407.db2.gz AVLBAGKQPSOTSN-OALUTQOASA-N 1 3 337.552 2.935 20 0 EFADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001440539824 1389741736 /nfs/dbraw/zinc/74/17/36/1389741736.db2.gz RHYQHWFYMAHYIG-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1ccccc1Cl ZINC001440596158 1389764166 /nfs/dbraw/zinc/76/41/66/1389764166.db2.gz XVXLQPJAYDRPHY-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001440610610 1389772787 /nfs/dbraw/zinc/77/27/87/1389772787.db2.gz SGEYDIVRXFZQTE-WBVHZDCISA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1CCc1cccs1 ZINC001440648153 1389797161 /nfs/dbraw/zinc/79/71/61/1389797161.db2.gz INFAEHPMIGZHCT-JKSUJKDBSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1CCc1cccs1 ZINC001440648153 1389797162 /nfs/dbraw/zinc/79/71/62/1389797162.db2.gz INFAEHPMIGZHCT-JKSUJKDBSA-N 1 3 349.544 2.744 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001440651369 1389799061 /nfs/dbraw/zinc/79/90/61/1389799061.db2.gz TVLZZOSEVXQDIR-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001440651369 1389799065 /nfs/dbraw/zinc/79/90/65/1389799065.db2.gz TVLZZOSEVXQDIR-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001440669701 1389809521 /nfs/dbraw/zinc/80/95/21/1389809521.db2.gz YAMDCNDVNMHCGY-KKXDTOCCSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc2ncccc2c1 ZINC001440961173 1390051352 /nfs/dbraw/zinc/05/13/52/1390051352.db2.gz WDNOBXKHUQYXBM-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440964473 1390054447 /nfs/dbraw/zinc/05/44/47/1390054447.db2.gz VANODNXVRIXIJD-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO COc1cc(CN(C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C ZINC001440967227 1390057947 /nfs/dbraw/zinc/05/79/47/1390057947.db2.gz KEZHXYDCPKPTIE-VQIMIIECSA-N 1 3 349.519 2.526 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCc1ccccc1 ZINC001440983722 1390076145 /nfs/dbraw/zinc/07/61/45/1390076145.db2.gz HIKRHBXADXHYNS-UYAOXDASSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1cccnc1CN[C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001228 1391021908 /nfs/dbraw/zinc/02/19/08/1391021908.db2.gz QQWHZXDAFOEDNQ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001441014759 1391033395 /nfs/dbraw/zinc/03/33/95/1391033395.db2.gz MHIBXKKRIRHAKZ-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001441186561 1391167620 /nfs/dbraw/zinc/16/76/20/1391167620.db2.gz SYERHTHZRLYOLJ-KRWDZBQOSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001441384478 1391275780 /nfs/dbraw/zinc/27/57/80/1391275780.db2.gz KEWCDKBBDZDZRO-KBRIMQKVSA-N 1 3 333.451 2.608 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001441406719 1391287363 /nfs/dbraw/zinc/28/73/63/1391287363.db2.gz YIWWZXSMEQELGZ-LNLFQRSKSA-N 1 3 331.504 2.689 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@H](C[NH2+]Cc2cccc(F)c2)C2CC2)CCC1 ZINC001441438896 1391307280 /nfs/dbraw/zinc/30/72/80/1391307280.db2.gz ZGJXLAFNIAHUDF-GOSISDBHSA-N 1 3 347.478 2.637 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001441605681 1391383430 /nfs/dbraw/zinc/38/34/30/1391383430.db2.gz IWFXRQADPOUCTQ-LXPRWKDFSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001441761660 1391414238 /nfs/dbraw/zinc/41/42/38/1391414238.db2.gz UDEMXEVYEGBKNA-UHFFFAOYSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2ccccc2c1 ZINC001441836718 1391421488 /nfs/dbraw/zinc/42/14/88/1391421488.db2.gz CWFISTTVHHBJJU-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](CC3CCCC3)CC2)C1 ZINC001444216125 1391462480 /nfs/dbraw/zinc/46/24/80/1391462480.db2.gz DSPQBOOVOPHERT-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]Cc1ccccc1 ZINC001444443646 1391492189 /nfs/dbraw/zinc/49/21/89/1391492189.db2.gz OUVSLEJXGHKHDJ-QGZVFWFLSA-N 1 3 339.483 2.904 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001446984257 1391652563 /nfs/dbraw/zinc/65/25/63/1391652563.db2.gz CPXJWYLLTCPXLY-WTGUMLROSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCC[C@@H](C)C3)C[C@@H]2C1 ZINC001446984257 1391652565 /nfs/dbraw/zinc/65/25/65/1391652565.db2.gz CPXJWYLLTCPXLY-WTGUMLROSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001447078967 1391690701 /nfs/dbraw/zinc/69/07/01/1391690701.db2.gz KFLIRDMOILDDPI-APWZRJJASA-N 1 3 340.471 2.932 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001447668735 1391728919 /nfs/dbraw/zinc/72/89/19/1391728919.db2.gz YVCJKXNRLNJHTO-ZOCIIQOWSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C/C=C\c1ccccc1 ZINC001448043340 1391914296 /nfs/dbraw/zinc/91/42/96/1391914296.db2.gz NIOIMWDAQLZLLX-SDMNGIDPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001448043340 1391914300 /nfs/dbraw/zinc/91/43/00/1391914300.db2.gz NIOIMWDAQLZLLX-SDMNGIDPSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1C ZINC001449016874 1392208414 /nfs/dbraw/zinc/20/84/14/1392208414.db2.gz QBEDGJAEHKFWKG-NVXWUHKLSA-N 1 3 343.471 2.854 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H]2C)cc1 ZINC001449051508 1392236041 /nfs/dbraw/zinc/23/60/41/1392236041.db2.gz XDDSTMSFKIOTOM-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001449064522 1392246701 /nfs/dbraw/zinc/24/67/01/1392246701.db2.gz WVONMMUMLBUWGD-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001450789681 1392752764 /nfs/dbraw/zinc/75/27/64/1392752764.db2.gz JRLBACBLGXVINS-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001450789681 1392752769 /nfs/dbraw/zinc/75/27/69/1392752769.db2.gz JRLBACBLGXVINS-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001507023906 1406604995 /nfs/dbraw/zinc/60/49/95/1406604995.db2.gz JKIKSCDSAWBPOX-IBGZPJMESA-N 1 3 340.471 2.596 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000133933872 1417299432 /nfs/dbraw/zinc/29/94/32/1417299432.db2.gz GDZWJYFUQGOWSO-CQSZACIVSA-N 1 3 327.875 2.842 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN2CCC(C)CC2)cc1F ZINC001507134874 1406750417 /nfs/dbraw/zinc/75/04/17/1406750417.db2.gz IPQVJLQJTGKSAA-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460193089 1396011960 /nfs/dbraw/zinc/01/19/60/1396011960.db2.gz BYPLPJXVEAYEMK-YTQUADARSA-N 1 3 334.504 2.865 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460193089 1396011969 /nfs/dbraw/zinc/01/19/69/1396011969.db2.gz BYPLPJXVEAYEMK-YTQUADARSA-N 1 3 334.504 2.865 20 0 EFADHO O[C@H]1CC[N@H+](Cc2ccccc2CNCc2ccc(F)c(F)c2)C1 ZINC001461431607 1396379461 /nfs/dbraw/zinc/37/94/61/1396379461.db2.gz PDNCZWGMBHJOPR-KRWDZBQOSA-N 1 3 332.394 2.821 20 0 EFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CNCc2ccc(F)c(F)c2)C1 ZINC001461431607 1396379466 /nfs/dbraw/zinc/37/94/66/1396379466.db2.gz PDNCZWGMBHJOPR-KRWDZBQOSA-N 1 3 332.394 2.821 20 0 EFADHO CN(C)CCC[N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462206835 1396427179 /nfs/dbraw/zinc/42/71/79/1396427179.db2.gz OFZLENHRINPOPS-GFCCVEGCSA-N 1 3 341.418 2.716 20 0 EFADHO CN(C)CCC[N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462206835 1396427183 /nfs/dbraw/zinc/42/71/83/1396427183.db2.gz OFZLENHRINPOPS-GFCCVEGCSA-N 1 3 341.418 2.716 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001464580921 1396587341 /nfs/dbraw/zinc/58/73/41/1396587341.db2.gz SROHBOBSSJDSRE-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915465 1396723201 /nfs/dbraw/zinc/72/32/01/1396723201.db2.gz HSMYFTDCZMWOLL-MISYRCLQSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915465 1396723207 /nfs/dbraw/zinc/72/32/07/1396723207.db2.gz HSMYFTDCZMWOLL-MISYRCLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507288822 1406853581 /nfs/dbraw/zinc/85/35/81/1406853581.db2.gz HAPCRXZVGDZHKB-RHSMWYFYSA-N 1 3 349.906 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@H]1C ZINC001507292980 1406857514 /nfs/dbraw/zinc/85/75/14/1406857514.db2.gz NCJNMYBEIAVMFR-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(F)cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC001473501475 1397306658 /nfs/dbraw/zinc/30/66/58/1397306658.db2.gz KILPQYIMJWJNNE-IBGZPJMESA-N 1 3 333.451 2.880 20 0 EFADHO Cc1ccc(F)cc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC001473501475 1397306659 /nfs/dbraw/zinc/30/66/59/1397306659.db2.gz KILPQYIMJWJNNE-IBGZPJMESA-N 1 3 333.451 2.880 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473931391 1397352852 /nfs/dbraw/zinc/35/28/52/1397352852.db2.gz JKNXXYQQCLMCCZ-OAHLLOKOSA-N 1 3 341.446 2.712 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472139 1397535560 /nfs/dbraw/zinc/53/55/60/1397535560.db2.gz PTILIWATTHKBAX-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472139 1397535562 /nfs/dbraw/zinc/53/55/62/1397535562.db2.gz PTILIWATTHKBAX-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001477472723 1397535703 /nfs/dbraw/zinc/53/57/03/1397535703.db2.gz USTINBWFSWOUCV-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001477472723 1397535705 /nfs/dbraw/zinc/53/57/05/1397535705.db2.gz USTINBWFSWOUCV-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO CN(C[C@@H]1CCN1CCCF)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001479232509 1397629305 /nfs/dbraw/zinc/62/93/05/1397629305.db2.gz FHAOCXODPRWLPU-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@@H]1CCN1CCCF)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001479232509 1397629310 /nfs/dbraw/zinc/62/93/10/1397629310.db2.gz FHAOCXODPRWLPU-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001479320181 1397683028 /nfs/dbraw/zinc/68/30/28/1397683028.db2.gz BDKNCUSSFRAPGN-JYBIWHBTSA-N 1 3 343.515 2.964 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)C2)c1 ZINC001479339185 1397693810 /nfs/dbraw/zinc/69/38/10/1397693810.db2.gz HJVZHILCNWYTCV-HDICACEKSA-N 1 3 340.471 2.508 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001479408086 1397717547 /nfs/dbraw/zinc/71/75/47/1397717547.db2.gz HWKITCXLOYVIRC-MPGHIAIKSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001479956015 1398041814 /nfs/dbraw/zinc/04/18/14/1398041814.db2.gz NWQQNVLAGRWRMP-NZONOLPTSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001479956015 1398041819 /nfs/dbraw/zinc/04/18/19/1398041819.db2.gz NWQQNVLAGRWRMP-NZONOLPTSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001480022695 1398098851 /nfs/dbraw/zinc/09/88/51/1398098851.db2.gz HLRWKBIFQXHRES-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001480022694 1398099255 /nfs/dbraw/zinc/09/92/55/1398099255.db2.gz HLRWKBIFQXHRES-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001480079769 1398114235 /nfs/dbraw/zinc/11/42/35/1398114235.db2.gz PFLMNFJHVDLHAS-DXWDOBMASA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N[C@H](C)c1ccccc1F ZINC001480597846 1398237635 /nfs/dbraw/zinc/23/76/35/1398237635.db2.gz VJJXXQMURNFHBR-HZPDHXFCSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001480675060 1398276888 /nfs/dbraw/zinc/27/68/88/1398276888.db2.gz CNQMJOOEIBZHTJ-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001480711396 1398303541 /nfs/dbraw/zinc/30/35/41/1398303541.db2.gz LMKOLYHYSNJLPC-QZTJIDSGSA-N 1 3 347.503 2.554 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001480711955 1398304461 /nfs/dbraw/zinc/30/44/61/1398304461.db2.gz PRJGKGDIVXINQD-RBUKOAKNSA-N 1 3 349.494 2.993 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001493023922 1398368553 /nfs/dbraw/zinc/36/85/53/1398368553.db2.gz YACHDMQZVKNKKA-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001493023922 1398368557 /nfs/dbraw/zinc/36/85/57/1398368557.db2.gz YACHDMQZVKNKKA-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC001493131389 1398468347 /nfs/dbraw/zinc/46/83/47/1398468347.db2.gz ZRNWRTVKIKVIBX-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001493256583 1398567840 /nfs/dbraw/zinc/56/78/40/1398567840.db2.gz NEJXIJXPVOMUTF-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001493256583 1398567842 /nfs/dbraw/zinc/56/78/42/1398567842.db2.gz NEJXIJXPVOMUTF-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCN(Cc2ccccc2)C2CC2)CC1 ZINC001493434504 1398705273 /nfs/dbraw/zinc/70/52/73/1398705273.db2.gz YKQHQWRRWIORGH-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001493590412 1398765375 /nfs/dbraw/zinc/76/53/75/1398765375.db2.gz JBQJXBGHNBTPTO-HNAYVOBHSA-N 1 3 331.504 2.625 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001507379894 1406984951 /nfs/dbraw/zinc/98/49/51/1406984951.db2.gz CIGVTTXMDGWYID-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001493806019 1398895812 /nfs/dbraw/zinc/89/58/12/1398895812.db2.gz DGQTXRZCAZEEIW-RBUKOAKNSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001493845620 1398918386 /nfs/dbraw/zinc/91/83/86/1398918386.db2.gz ZOZUKRXUUPLVEM-ILNGBFOMSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001494171656 1399185511 /nfs/dbraw/zinc/18/55/11/1399185511.db2.gz KOIWGEQNJADUGH-QZTJIDSGSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001494171656 1399185518 /nfs/dbraw/zinc/18/55/18/1399185518.db2.gz KOIWGEQNJADUGH-QZTJIDSGSA-N 1 3 331.504 2.870 20 0 EFADHO CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494180219 1399193481 /nfs/dbraw/zinc/19/34/81/1399193481.db2.gz YWGGERPAHBCFMP-GOSISDBHSA-N 1 3 331.504 2.798 20 0 EFADHO CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001494180219 1399193485 /nfs/dbraw/zinc/19/34/85/1399193485.db2.gz YWGGERPAHBCFMP-GOSISDBHSA-N 1 3 331.504 2.798 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001494195487 1399202980 /nfs/dbraw/zinc/20/29/80/1399202980.db2.gz JNSUSWIMOUVDAW-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001494195487 1399202984 /nfs/dbraw/zinc/20/29/84/1399202984.db2.gz JNSUSWIMOUVDAW-HFTQHKIXSA-N 1 3 341.927 2.782 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](CNC/C(Cl)=C\Cl)C2)CC1 ZINC001507412671 1407025579 /nfs/dbraw/zinc/02/55/79/1407025579.db2.gz XHESCZLTHHICNB-ZMCCTTKHSA-N 1 3 348.318 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001507418478 1407032792 /nfs/dbraw/zinc/03/27/92/1407032792.db2.gz GCPMWYJSTPPLQB-NVXWUHKLSA-N 1 3 335.467 2.542 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCCC1CCN(C/C=C/Cl)CC1 ZINC001495541206 1400072079 /nfs/dbraw/zinc/07/20/79/1400072079.db2.gz WKUXBHPVSZDXAY-RUDMXATFSA-N 1 3 341.927 2.833 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001495667428 1400152911 /nfs/dbraw/zinc/15/29/11/1400152911.db2.gz QPQJCCHDFZESMX-VQIMIIECSA-N 1 3 349.494 2.871 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@@H](C)C2)c(C)c1 ZINC001495744501 1400220341 /nfs/dbraw/zinc/22/03/41/1400220341.db2.gz XCMOVDLBNNVLTA-WBVHZDCISA-N 1 3 345.531 2.796 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001495787429 1400268464 /nfs/dbraw/zinc/26/84/64/1400268464.db2.gz BATJGIJQSKVDQE-KXBFYZLASA-N 1 3 349.494 2.887 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2F)CCCC1)C1CCC1 ZINC001495918343 1400355735 /nfs/dbraw/zinc/35/57/35/1400355735.db2.gz FEICVBQZDLJGKG-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001495970433 1400390018 /nfs/dbraw/zinc/39/00/18/1400390018.db2.gz RBJHSSAYJNXXRC-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496078142 1400456944 /nfs/dbraw/zinc/45/69/44/1400456944.db2.gz GYZBFOXMYPQHBO-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082936 1400461088 /nfs/dbraw/zinc/46/10/88/1400461088.db2.gz VRXULXANYAFFGI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001496152601 1400504696 /nfs/dbraw/zinc/50/46/96/1400504696.db2.gz AMHPHRLDCLOOTB-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001496370372 1400678819 /nfs/dbraw/zinc/67/88/19/1400678819.db2.gz UJDGMLGJVRAAGR-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001496506349 1400781893 /nfs/dbraw/zinc/78/18/93/1400781893.db2.gz PKLVDYBLHAXSIC-SFHVURJKSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001496506349 1400781895 /nfs/dbraw/zinc/78/18/95/1400781895.db2.gz PKLVDYBLHAXSIC-SFHVURJKSA-N 1 3 341.515 2.637 20 0 EFADHO CN(CC[N@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001496678463 1400915636 /nfs/dbraw/zinc/91/56/36/1400915636.db2.gz BCYIFOHSCCJUTI-ICSRJNTNSA-N 1 3 343.515 2.591 20 0 EFADHO CN(CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001496678463 1400915639 /nfs/dbraw/zinc/91/56/39/1400915639.db2.gz BCYIFOHSCCJUTI-ICSRJNTNSA-N 1 3 343.515 2.591 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001496887681 1401078385 /nfs/dbraw/zinc/07/83/85/1401078385.db2.gz LWNGEGBUAWVTEO-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001496887685 1401078463 /nfs/dbraw/zinc/07/84/63/1401078463.db2.gz LWNGEGBUAWVTEO-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001497204815 1401217892 /nfs/dbraw/zinc/21/78/92/1401217892.db2.gz GLBKETVOSINBRC-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001497216126 1401224021 /nfs/dbraw/zinc/22/40/21/1401224021.db2.gz PZYGJJDZOWBSCY-UKRRQHHQSA-N 1 3 333.467 2.637 20 0 EFADHO C[C@H](C[NH2+]CC1CCC(F)(F)CC1)NC(=O)CN(C)CC(C)(C)C ZINC001497909796 1401733993 /nfs/dbraw/zinc/73/39/93/1401733993.db2.gz DALSTSHYLYFLKK-CQSZACIVSA-N 1 3 347.494 2.884 20 0 EFADHO Cc1ncccc1CNC[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498078379 1401846698 /nfs/dbraw/zinc/84/66/98/1401846698.db2.gz UUTBQXPUCWLVRJ-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1CNC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001498078379 1401846699 /nfs/dbraw/zinc/84/66/99/1401846699.db2.gz UUTBQXPUCWLVRJ-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498314254 1402001300 /nfs/dbraw/zinc/00/13/00/1402001300.db2.gz REIWVJXIJHUJOC-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(CCC[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001498314254 1402001306 /nfs/dbraw/zinc/00/13/06/1402001306.db2.gz REIWVJXIJHUJOC-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001498428795 1402094415 /nfs/dbraw/zinc/09/44/15/1402094415.db2.gz KLGHRWDDIMELRJ-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2c1cccc2F ZINC001498428795 1402094419 /nfs/dbraw/zinc/09/44/19/1402094419.db2.gz KLGHRWDDIMELRJ-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccc(CF)cc2)C2CC2)CCC1 ZINC001498768975 1402277917 /nfs/dbraw/zinc/27/79/17/1402277917.db2.gz GDUOFQVACNQQEK-SFHVURJKSA-N 1 3 347.478 2.625 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001498897547 1402367118 /nfs/dbraw/zinc/36/71/18/1402367118.db2.gz GUCDAYXAELQUPN-VTBIRBAPSA-N 1 3 343.943 2.934 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001499225860 1402527639 /nfs/dbraw/zinc/52/76/39/1402527639.db2.gz IXMWIMFTMISKNM-SFHVURJKSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001499225860 1402527641 /nfs/dbraw/zinc/52/76/41/1402527641.db2.gz IXMWIMFTMISKNM-SFHVURJKSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499225860 1402527646 /nfs/dbraw/zinc/52/76/46/1402527646.db2.gz IXMWIMFTMISKNM-SFHVURJKSA-N 1 3 347.478 2.745 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001499228902 1402528968 /nfs/dbraw/zinc/52/89/68/1402528968.db2.gz LRFMEWRRFGOLSH-SHBKCBRUSA-N 1 3 339.911 2.632 20 0 EFADHO O=C(NCC1(NC/C=C/Cl)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001499228902 1402528973 /nfs/dbraw/zinc/52/89/73/1402528973.db2.gz LRFMEWRRFGOLSH-SHBKCBRUSA-N 1 3 339.911 2.632 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001499248064 1402537372 /nfs/dbraw/zinc/53/73/72/1402537372.db2.gz AHDKIKXONRKJNW-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCCN3C(C)C)CC2)cc1 ZINC001499371727 1402586774 /nfs/dbraw/zinc/58/67/74/1402586774.db2.gz OPNVFYWQBNDJID-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CCc1ccc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)cc1 ZINC001499458932 1402623225 /nfs/dbraw/zinc/62/32/25/1402623225.db2.gz RGFHGUYYAJFZRJ-UHFFFAOYSA-N 1 3 343.515 2.863 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@](C)(C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001500354026 1403070945 /nfs/dbraw/zinc/07/09/45/1403070945.db2.gz JFFBPENAUVONKN-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001500382355 1403087391 /nfs/dbraw/zinc/08/73/91/1403087391.db2.gz POPYBECNJFCPIQ-FQEVSTJZSA-N 1 3 340.471 2.597 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001501084322 1403434576 /nfs/dbraw/zinc/43/45/76/1403434576.db2.gz TYUMISSRDLXEFZ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1 ZINC001501240411 1403509417 /nfs/dbraw/zinc/50/94/17/1403509417.db2.gz MIJYYNVHHMMFTO-ZCNNSNEGSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1 ZINC001501240411 1403509418 /nfs/dbraw/zinc/50/94/18/1403509418.db2.gz MIJYYNVHHMMFTO-ZCNNSNEGSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001501604267 1403643879 /nfs/dbraw/zinc/64/38/79/1403643879.db2.gz NVVFYHANFZVJDV-VQIMIIECSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001501718011 1403742243 /nfs/dbraw/zinc/74/22/43/1403742243.db2.gz AJXRDTYCAPGCLH-UFYCRDLUSA-N 1 3 345.531 2.834 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001501960309 1403906428 /nfs/dbraw/zinc/90/64/28/1403906428.db2.gz KLSTWCRYYOLJHS-SFHVURJKSA-N 1 3 347.478 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2ccccc2F)CCC1 ZINC001501960309 1403906434 /nfs/dbraw/zinc/90/64/34/1403906434.db2.gz KLSTWCRYYOLJHS-SFHVURJKSA-N 1 3 347.478 2.829 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CCC1 ZINC001501960659 1403907713 /nfs/dbraw/zinc/90/77/13/1403907713.db2.gz QJPWWVMMIVIBTI-LJQANCHMSA-N 1 3 343.515 2.998 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)cc2C)CCC1)N(C)C ZINC001501967721 1403914383 /nfs/dbraw/zinc/91/43/83/1403914383.db2.gz AFBJVMYTSIHCNY-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1cccc(Cl)c1CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001502026287 1403957782 /nfs/dbraw/zinc/95/77/82/1403957782.db2.gz OTWCFKIBYCJWPN-OAHLLOKOSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1cccc(Cl)c1CNC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001502026287 1403957788 /nfs/dbraw/zinc/95/77/88/1403957788.db2.gz OTWCFKIBYCJWPN-OAHLLOKOSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126147 1404019471 /nfs/dbraw/zinc/01/94/71/1404019471.db2.gz RFFKRLKUPRQUHO-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001502126147 1404019480 /nfs/dbraw/zinc/01/94/80/1404019480.db2.gz RFFKRLKUPRQUHO-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001502145275 1404044586 /nfs/dbraw/zinc/04/45/86/1404044586.db2.gz NQHPSBGOTGQVBS-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccnc2C)CC1 ZINC001502145275 1404044594 /nfs/dbraw/zinc/04/45/94/1404044594.db2.gz NQHPSBGOTGQVBS-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CN(CCC[N@H+](C)CCc1ccc(Cl)cc1)C(=O)Cc1c[nH]cn1 ZINC001502379119 1404118239 /nfs/dbraw/zinc/11/82/39/1404118239.db2.gz VPTVZADCWTXPAU-UHFFFAOYSA-N 1 3 348.878 2.629 20 0 EFADHO CN(CCC[N@@H+](C)CCc1ccc(Cl)cc1)C(=O)Cc1c[nH]cn1 ZINC001502379119 1404118246 /nfs/dbraw/zinc/11/82/46/1404118246.db2.gz VPTVZADCWTXPAU-UHFFFAOYSA-N 1 3 348.878 2.629 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001502532537 1404224652 /nfs/dbraw/zinc/22/46/52/1404224652.db2.gz SJBZDWIYTWBBAT-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001502754018 1404326048 /nfs/dbraw/zinc/32/60/48/1404326048.db2.gz KFHZTFLOLFMBEK-GXTWGEPZSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001503004732 1404456994 /nfs/dbraw/zinc/45/69/94/1404456994.db2.gz ZKOYTYHRNINPLM-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001503004732 1404456997 /nfs/dbraw/zinc/45/69/97/1404456997.db2.gz ZKOYTYHRNINPLM-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001503463652 1404484179 /nfs/dbraw/zinc/48/41/79/1404484179.db2.gz YXRHWMXWEOMABN-GDIGMMSISA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C/C=C/c1ccccc1 ZINC001505452293 1404656950 /nfs/dbraw/zinc/65/69/50/1404656950.db2.gz FLUPQLRBJSXFAD-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C/C=C/c1ccccc1 ZINC001505452293 1404656956 /nfs/dbraw/zinc/65/69/56/1404656956.db2.gz FLUPQLRBJSXFAD-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC001505459360 1404675366 /nfs/dbraw/zinc/67/53/66/1404675366.db2.gz PCVBSYZEHOGNSO-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC001505459360 1404675372 /nfs/dbraw/zinc/67/53/72/1404675372.db2.gz PCVBSYZEHOGNSO-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1F)N(C)C ZINC001505835924 1405125724 /nfs/dbraw/zinc/12/57/24/1405125724.db2.gz PSWIQCZTPULYOW-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936168 1405247421 /nfs/dbraw/zinc/24/74/21/1405247421.db2.gz WFBGCJNYTWZZCD-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936168 1405247430 /nfs/dbraw/zinc/24/74/30/1405247430.db2.gz WFBGCJNYTWZZCD-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935996 1405248746 /nfs/dbraw/zinc/24/87/46/1405248746.db2.gz SHOBVJGTDHNAMP-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935996 1405248751 /nfs/dbraw/zinc/24/87/51/1405248751.db2.gz SHOBVJGTDHNAMP-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001506043188 1405392009 /nfs/dbraw/zinc/39/20/09/1405392009.db2.gz LKZOMVDCHVQMFD-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001506043188 1405392015 /nfs/dbraw/zinc/39/20/15/1405392015.db2.gz LKZOMVDCHVQMFD-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1F ZINC001506065903 1405425205 /nfs/dbraw/zinc/42/52/05/1405425205.db2.gz YGXSPNOFNBWYGL-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1cccn2c(C[NH2+]C3CCC(C)(N4CCOCC4)CC3)cnc12 ZINC001551237440 1413968727 /nfs/dbraw/zinc/96/87/27/1413968727.db2.gz KNIOPTRGDKIQGE-UHFFFAOYSA-N 1 3 342.487 2.766 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cc1 ZINC001551237293 1413968857 /nfs/dbraw/zinc/96/88/57/1413968857.db2.gz CNZXYXPGRGTSHC-UHFFFAOYSA-N 1 3 345.487 2.768 20 0 EFADHO Cc1noc2ncc(C[NH2+]C3CCC(C)(N4CCOCC4)CC3)cc12 ZINC001551238646 1413969472 /nfs/dbraw/zinc/96/94/72/1413969472.db2.gz SKJYQFLXRKENJE-UHFFFAOYSA-N 1 3 344.459 2.654 20 0 EFADHO COc1cc(C)c(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c(C)n1 ZINC001551238351 1413969751 /nfs/dbraw/zinc/96/97/51/1413969751.db2.gz OKORGNHLFSWMRR-UHFFFAOYSA-N 1 3 347.503 2.830 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC001551238377 1413969782 /nfs/dbraw/zinc/96/97/82/1413969782.db2.gz PEGJRICLQVUYEI-UHFFFAOYSA-N 1 3 329.444 2.951 20 0 EFADHO CN(C)c1ccccc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551237597 1413970012 /nfs/dbraw/zinc/97/00/12/1413970012.db2.gz YXUWBMQHQZKTDU-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1nn(C(C)C)cc1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238149 1413970096 /nfs/dbraw/zinc/97/00/96/1413970096.db2.gz LSCFXPSFYCLUSI-UHFFFAOYSA-N 1 3 334.508 2.896 20 0 EFADHO Cn1cc(-c2nc(CN3C[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]4C3)cs2)cn1 ZINC001551262310 1413983696 /nfs/dbraw/zinc/98/36/96/1413983696.db2.gz QWJVBHWYRHXERD-JKIFEVAISA-N 1 3 345.516 2.706 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3ccc(-c4ccc(F)cn4)n3)C[C@@H]2C1 ZINC001551382905 1414052239 /nfs/dbraw/zinc/05/22/39/1414052239.db2.gz YJHMJOSMYZGLMR-YQQAZPJKSA-N 1 3 343.450 2.704 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001551387661 1414053995 /nfs/dbraw/zinc/05/39/95/1414053995.db2.gz OUXKQZBXVCVCJS-YQVWRLOYSA-N 1 3 344.503 2.942 20 0 EFADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC001551392168 1414057702 /nfs/dbraw/zinc/05/77/02/1414057702.db2.gz SLKJXUDWAJEIFC-MOXMWUHRSA-N 1 3 336.520 2.813 20 0 EFADHO COc1cc([C@@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)ccn1 ZINC001551398710 1414061761 /nfs/dbraw/zinc/06/17/61/1414061761.db2.gz JGWXDSRCZXZMHB-LSJNQWAISA-N 1 3 333.476 2.774 20 0 EFADHO C[C@H](NC(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC001551562405 1414125038 /nfs/dbraw/zinc/12/50/38/1414125038.db2.gz PLGDGVKQKWXCFX-XOABRYBJSA-N 1 3 344.503 2.637 20 0 EFADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001552274859 1414401400 /nfs/dbraw/zinc/40/14/00/1414401400.db2.gz MJQHLHWRPSDABK-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)C2C[NH+](C3CCCCC3)C2)s1 ZINC001552363626 1414441002 /nfs/dbraw/zinc/44/10/02/1414441002.db2.gz RDCAVCUIYNNLCE-UHFFFAOYSA-N 1 3 335.517 2.690 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552376538 1414442927 /nfs/dbraw/zinc/44/29/27/1414442927.db2.gz UIRJZGUBIXGYOR-WMZOPIPTSA-N 1 3 334.508 2.598 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552375766 1414443225 /nfs/dbraw/zinc/44/32/25/1414443225.db2.gz LUMQQEDZCCMRDP-CRAIPNDOSA-N 1 3 334.508 2.833 20 0 EFADHO Cn1cc([C@H]2OCCC[C@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC001552377708 1414443989 /nfs/dbraw/zinc/44/39/89/1414443989.db2.gz DLACYVKDFJNFKK-JXFKEZNVSA-N 1 3 346.519 2.884 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC001552432258 1414453355 /nfs/dbraw/zinc/45/33/55/1414453355.db2.gz LJVVCYQGUNHTQL-WDSOQIARSA-N 1 3 327.472 2.602 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC001552432255 1414453607 /nfs/dbraw/zinc/45/36/07/1414453607.db2.gz LJVVCYQGUNHTQL-NEWSRXKRSA-N 1 3 327.472 2.602 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC001552531197 1414482461 /nfs/dbraw/zinc/48/24/61/1414482461.db2.gz KLJGJAUDKDRCLF-ZHALLVOQSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC001552531197 1414482464 /nfs/dbraw/zinc/48/24/64/1414482464.db2.gz KLJGJAUDKDRCLF-ZHALLVOQSA-N 1 3 334.508 2.787 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001552831929 1414577677 /nfs/dbraw/zinc/57/76/77/1414577677.db2.gz QEGQVJBPHZJLNF-SVFBPWRDSA-N 1 3 341.499 2.862 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001552831927 1414577784 /nfs/dbraw/zinc/57/77/84/1414577784.db2.gz QEGQVJBPHZJLNF-SFHLNBCPSA-N 1 3 341.499 2.862 20 0 EFADHO C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1nnc2ncccn21 ZINC001552929534 1414607597 /nfs/dbraw/zinc/60/75/97/1414607597.db2.gz CWVDQLIMQJYQLV-KSTDHSDQSA-N 1 3 328.464 2.572 20 0 EFADHO CCC(CC)C(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCCN[C@H]3C2(C)C)CC1 ZINC001553022041 1414647592 /nfs/dbraw/zinc/64/75/92/1414647592.db2.gz HRYNLRNUOUFOPL-KZNAEPCWSA-N 1 3 335.536 2.780 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC001553292174 1414762738 /nfs/dbraw/zinc/76/27/38/1414762738.db2.gz TYRWDLKJWUDOCS-KGLIPLIRSA-N 1 3 349.441 2.688 20 0 EFADHO C[C@H](NC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)[C@H](c1ccccc1)N(C)C ZINC001553481448 1414833952 /nfs/dbraw/zinc/83/39/52/1414833952.db2.gz KCRVUCDFEXHOPV-HQRMLTQVSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N(C)C ZINC001567925924 1416326665 /nfs/dbraw/zinc/32/66/65/1416326665.db2.gz VYAOYCQPOQALHA-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N(C)C ZINC001567925924 1416326668 /nfs/dbraw/zinc/32/66/68/1416326668.db2.gz VYAOYCQPOQALHA-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H](NC(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccccc1Cl ZINC001645878022 1416578460 /nfs/dbraw/zinc/57/84/60/1416578460.db2.gz SMHMULBYMCQLTD-HNNXBMFYSA-N 1 3 349.906 2.983 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001645877283 1416578562 /nfs/dbraw/zinc/57/85/62/1416578562.db2.gz FJDXGQZVTGDEJO-HNNXBMFYSA-N 1 3 349.906 2.810 20 0 EFADHO C[C@H]1CCc2ccccc2N1C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001645877289 1416578637 /nfs/dbraw/zinc/57/86/37/1416578637.db2.gz FNLOGQPTBBLTNV-KRWDZBQOSA-N 1 3 341.499 2.820 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001645878285 1416578677 /nfs/dbraw/zinc/57/86/77/1416578677.db2.gz VGALIRLXORMMPB-KRWDZBQOSA-N 1 3 329.488 2.672 20 0 EFADHO c1cnc2ccc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc2c1 ZINC000130386833 1417256608 /nfs/dbraw/zinc/25/66/08/1417256608.db2.gz LVOOWZMENHFHCN-QGZVFWFLSA-N 1 3 325.456 2.825 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1)N(C)C ZINC001712953171 1418291932 /nfs/dbraw/zinc/29/19/32/1418291932.db2.gz CSBPHIYNJFIZOM-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1cccc(F)c1)N(C)C ZINC001712953171 1418291936 /nfs/dbraw/zinc/29/19/36/1418291936.db2.gz CSBPHIYNJFIZOM-YJBOKZPZSA-N 1 3 337.483 2.911 20 0 EFADHO CN(CCNCc1ccc(Cl)s1)C(=O)C12CCC[NH+]1CCC2 ZINC001753208509 1426327413 /nfs/dbraw/zinc/32/74/13/1426327413.db2.gz XDOGKGHQFGKPMG-UHFFFAOYSA-N 1 3 341.908 2.578 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001020543580 713124541 /nfs/dbraw/zinc/12/45/41/713124541.db2.gz WAGYSLHKDAKABX-BPUTZDHNSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC000969588626 713179985 /nfs/dbraw/zinc/17/99/85/713179985.db2.gz QAWHTABIHBOCCX-YQVWRLOYSA-N 1 3 329.488 2.649 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969655710 713206708 /nfs/dbraw/zinc/20/67/08/713206708.db2.gz ZYSMGMXMVGBTQT-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000969699657 713223262 /nfs/dbraw/zinc/22/32/62/713223262.db2.gz LXUXVLBYTQYZHA-PMUMKWKESA-N 1 3 349.544 2.642 20 0 EFADHO Cc1cc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000969699657 713223264 /nfs/dbraw/zinc/22/32/64/713223264.db2.gz LXUXVLBYTQYZHA-PMUMKWKESA-N 1 3 349.544 2.642 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC001020586013 713265408 /nfs/dbraw/zinc/26/54/08/713265408.db2.gz CEXIKQGQVVEYSQ-QKPAOTATSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001020587598 713266658 /nfs/dbraw/zinc/26/66/58/713266658.db2.gz MRQBDZANWJJEAI-TXJVSEOTSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001020587903 713266661 /nfs/dbraw/zinc/26/66/61/713266661.db2.gz ZQICBVXEQOVQHP-KBAYOESNSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001020587593 713266698 /nfs/dbraw/zinc/26/66/98/713266698.db2.gz MQOJYFWKFYROAL-XLPNERPQSA-N 1 3 345.462 2.534 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001020587592 713266721 /nfs/dbraw/zinc/26/67/21/713266721.db2.gz MQOJYFWKFYROAL-GPINWOSQSA-N 1 3 345.462 2.534 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588485 713266895 /nfs/dbraw/zinc/26/68/95/713266895.db2.gz CKIIMBQYTPKWBE-VDHUWJSZSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001020588766 713267006 /nfs/dbraw/zinc/26/70/06/713267006.db2.gz LMMJVKLETAKGLT-YSSFQJQWSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020589219 713267268 /nfs/dbraw/zinc/26/72/68/713267268.db2.gz ZLALVNUADOXFPA-BPUTZDHNSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586530 713267393 /nfs/dbraw/zinc/26/73/93/713267393.db2.gz QAVLEWQUZNKSGY-KZNAEPCWSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586529 713267404 /nfs/dbraw/zinc/26/74/04/713267404.db2.gz QAVLEWQUZNKSGY-BZSNNMDCSA-N 1 3 329.488 2.525 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001020591487 713270012 /nfs/dbraw/zinc/27/00/12/713270012.db2.gz OXFMSXVGKMFDLB-IYARVYRRSA-N 1 3 333.520 2.846 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001020591711 713270016 /nfs/dbraw/zinc/27/00/16/713270016.db2.gz STFJZZNHXPFCQQ-QAQDUYKDSA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832588 713277004 /nfs/dbraw/zinc/27/70/04/713277004.db2.gz HYZUOJLJSKUOLT-HKUYNNGSSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832588 713277005 /nfs/dbraw/zinc/27/70/05/713277005.db2.gz HYZUOJLJSKUOLT-HKUYNNGSSA-N 1 3 343.515 2.601 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845757 713280512 /nfs/dbraw/zinc/28/05/12/713280512.db2.gz IQGUEMPOIPSXOR-RTBURBONSA-N 1 3 331.504 2.526 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000969845761 713280553 /nfs/dbraw/zinc/28/05/53/713280553.db2.gz IWAZZUIUJFBAHL-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1)[NH+](C)C ZINC000969846498 713281301 /nfs/dbraw/zinc/28/13/01/713281301.db2.gz WPPVGSHTFGQZSY-NVXWUHKLSA-N 1 3 337.895 2.617 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC000969846583 713281523 /nfs/dbraw/zinc/28/15/23/713281523.db2.gz ZBULQMHFEDPNOH-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000969949561 713320325 /nfs/dbraw/zinc/32/03/25/713320325.db2.gz VAKWUYWIPWFFMJ-DOTOQJQBSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000969950878 713320829 /nfs/dbraw/zinc/32/08/29/713320829.db2.gz KLJMDHBJLBOOKM-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC000969954176 713321436 /nfs/dbraw/zinc/32/14/36/713321436.db2.gz ATHGAORPBAKWLG-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969955285 713321905 /nfs/dbraw/zinc/32/19/05/713321905.db2.gz OOBBKBOFLYHJMB-IEBWSBKVSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969951784 713322108 /nfs/dbraw/zinc/32/21/08/713322108.db2.gz QVJSRTUMTDQRKL-HZPDHXFCSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000969951784 713322110 /nfs/dbraw/zinc/32/21/10/713322110.db2.gz QVJSRTUMTDQRKL-HZPDHXFCSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC000969956523 713324114 /nfs/dbraw/zinc/32/41/14/713324114.db2.gz XZDMWGZQJHWDIE-NVXWUHKLSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC000969956523 713324116 /nfs/dbraw/zinc/32/41/16/713324116.db2.gz XZDMWGZQJHWDIE-NVXWUHKLSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC000969956609 713324141 /nfs/dbraw/zinc/32/41/41/713324141.db2.gz ZYZHEDPXRHSGGN-MAUKXSAKSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000969962379 713325787 /nfs/dbraw/zinc/32/57/87/713325787.db2.gz MBKUZAUGOAKMBJ-YLJYHZDGSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969964053 713326291 /nfs/dbraw/zinc/32/62/91/713326291.db2.gz BGTUPPPDOSJLTA-GOSISDBHSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC000969985153 713334217 /nfs/dbraw/zinc/33/42/17/713334217.db2.gz CRQYPQROZQCABI-YSGRDPCXSA-N 1 3 343.515 2.767 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001020675962 713345731 /nfs/dbraw/zinc/34/57/31/713345731.db2.gz MRNRSHLJBKEKKB-GUDVDZBRSA-N 1 3 347.478 2.825 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C(C)C)C2)c1 ZINC001020676106 713345870 /nfs/dbraw/zinc/34/58/70/713345870.db2.gz RKWBMUWMRKMQMS-UFYCRDLUSA-N 1 3 343.515 2.995 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020676183 713345933 /nfs/dbraw/zinc/34/59/33/713345933.db2.gz VTEBMQOWQAWKIH-KZNAEPCWSA-N 1 3 335.536 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1 ZINC001020676188 713346006 /nfs/dbraw/zinc/34/60/06/713346006.db2.gz VXBBEEYAORRGES-VAMGGRTRSA-N 1 3 343.515 2.729 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC000970049484 713359777 /nfs/dbraw/zinc/35/97/77/713359777.db2.gz ZSCSHWZAIMECGJ-QGZVFWFLSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001020980814 713465968 /nfs/dbraw/zinc/46/59/68/713465968.db2.gz SULUTHCSFNZMGF-IYARVYRRSA-N 1 3 348.450 2.851 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001020981477 713466460 /nfs/dbraw/zinc/46/64/60/713466460.db2.gz HTANXSMZGPERSM-ULQDDVLXSA-N 1 3 326.444 2.649 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000970177423 713507010 /nfs/dbraw/zinc/50/70/10/713507010.db2.gz VVHQJCDXSSRKQM-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001021044025 713530922 /nfs/dbraw/zinc/53/09/22/713530922.db2.gz ICYMLCZISCZJIT-LXTVHRRPSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001021044025 713530923 /nfs/dbraw/zinc/53/09/23/713530923.db2.gz ICYMLCZISCZJIT-LXTVHRRPSA-N 1 3 335.879 2.590 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001021089464 713561884 /nfs/dbraw/zinc/56/18/84/713561884.db2.gz CLPUBJPLZQIFKE-MUIFIZLQSA-N 1 3 349.906 2.950 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC001021090883 713563038 /nfs/dbraw/zinc/56/30/38/713563038.db2.gz MXSFWXSDIPRCPL-BMOGMMAESA-N 1 3 343.515 2.913 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001021092705 713563574 /nfs/dbraw/zinc/56/35/74/713563574.db2.gz QXJJYNAHCHYKJN-GUDVDZBRSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001021094712 713564824 /nfs/dbraw/zinc/56/48/24/713564824.db2.gz ZBTQUTZETHKMSK-NXWXRZEISA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970211731 713565304 /nfs/dbraw/zinc/56/53/04/713565304.db2.gz AGUWOIDFURSUEL-KRWDZBQOSA-N 1 3 343.515 2.807 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001021096313 713575011 /nfs/dbraw/zinc/57/50/11/713575011.db2.gz NHJBZVYOTXYGCQ-FHWLQOOXSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001021096314 713575258 /nfs/dbraw/zinc/57/52/58/713575258.db2.gz NHJBZVYOTXYGCQ-GUDVDZBRSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000970325956 713635811 /nfs/dbraw/zinc/63/58/11/713635811.db2.gz LNYUUQIJYPJZNU-LNLFQRSKSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000970325956 713635813 /nfs/dbraw/zinc/63/58/13/713635813.db2.gz LNYUUQIJYPJZNU-LNLFQRSKSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000970336847 713639623 /nfs/dbraw/zinc/63/96/23/713639623.db2.gz FXEKJPZSKYUXME-AZUAARDMSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1F ZINC000970336909 713639751 /nfs/dbraw/zinc/63/97/51/713639751.db2.gz GUJWYPZJFDIINQ-GOSISDBHSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)CC[N@@H+]1C ZINC001021261719 713719488 /nfs/dbraw/zinc/71/94/88/713719488.db2.gz AWQYLYRRTJJABX-TYCNUDOYSA-N 1 3 339.911 2.581 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)CC[N@H+]1C ZINC001021261719 713719489 /nfs/dbraw/zinc/71/94/89/713719489.db2.gz AWQYLYRRTJJABX-TYCNUDOYSA-N 1 3 339.911 2.581 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021274342 713726136 /nfs/dbraw/zinc/72/61/36/713726136.db2.gz SXTGACBJSVHNSV-RZLOAHQJSA-N 1 3 339.911 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021274342 713726137 /nfs/dbraw/zinc/72/61/37/713726137.db2.gz SXTGACBJSVHNSV-RZLOAHQJSA-N 1 3 339.911 2.725 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001021274273 713726163 /nfs/dbraw/zinc/72/61/63/713726163.db2.gz PXRPXBIUGURGNI-XVLXNVKGSA-N 1 3 333.520 2.939 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001021274273 713726165 /nfs/dbraw/zinc/72/61/65/713726165.db2.gz PXRPXBIUGURGNI-XVLXNVKGSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970527903 713779833 /nfs/dbraw/zinc/77/98/33/713779833.db2.gz AOALZRXVXBMFNJ-APWZRJJASA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970578022 713820188 /nfs/dbraw/zinc/82/01/88/713820188.db2.gz UZVGJGMFFQJLCL-INIZCTEOSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(C)(C)C)C1 ZINC001021380757 713852777 /nfs/dbraw/zinc/85/27/77/713852777.db2.gz SXVLBBDGSMIRML-OOKSDGMUSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C)C1 ZINC001021380757 713852779 /nfs/dbraw/zinc/85/27/79/713852779.db2.gz SXVLBBDGSMIRML-OOKSDGMUSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001021400560 713875353 /nfs/dbraw/zinc/87/53/53/713875353.db2.gz ZNAAWPRVKAGIMO-FBVQUNGASA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001021400560 713875356 /nfs/dbraw/zinc/87/53/56/713875356.db2.gz ZNAAWPRVKAGIMO-FBVQUNGASA-N 1 3 339.499 2.721 20 0 EFADHO C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)CC1 ZINC001021401076 713875504 /nfs/dbraw/zinc/87/55/04/713875504.db2.gz FZBHYEGSVGBOGC-PYYFSDIZSA-N 1 3 339.911 2.582 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970717604 713931748 /nfs/dbraw/zinc/93/17/48/713931748.db2.gz DMFLNHKYUAGFBR-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970718230 713932160 /nfs/dbraw/zinc/93/21/60/713932160.db2.gz IDNOSNWTIQKUMT-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cc2c(cc1OC)CN(CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000325752028 713952686 /nfs/dbraw/zinc/95/26/86/713952686.db2.gz DWBKDQKMZIUOBB-DODVFSASSA-N 1 3 330.472 2.983 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC001039211429 713979715 /nfs/dbraw/zinc/97/97/15/713979715.db2.gz APSAOFUNKXBPEF-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001039211429 713979720 /nfs/dbraw/zinc/97/97/20/713979720.db2.gz APSAOFUNKXBPEF-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000970799789 714005286 /nfs/dbraw/zinc/00/52/86/714005286.db2.gz IZOSHOCWOSDFKT-SJORKVTESA-N 1 3 335.517 2.621 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000970800105 714009044 /nfs/dbraw/zinc/00/90/44/714009044.db2.gz LMOOEXAEPZDIQU-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CC(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970917620 714132158 /nfs/dbraw/zinc/13/21/58/714132158.db2.gz OWLVBCMUNCYHHY-MRXNPFEDSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918850 714134046 /nfs/dbraw/zinc/13/40/46/714134046.db2.gz YXUYHJXXEWKPAE-INIZCTEOSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CCC2)C1 ZINC000970926774 714141209 /nfs/dbraw/zinc/14/12/09/714141209.db2.gz BUZROFMAMFOACW-OAHLLOKOSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000970930040 714147278 /nfs/dbraw/zinc/14/72/78/714147278.db2.gz VXWWTLDMCKFTEV-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604365 714164950 /nfs/dbraw/zinc/16/49/50/714164950.db2.gz CITDGRSNMJWLRB-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604365 714164952 /nfs/dbraw/zinc/16/49/52/714164952.db2.gz CITDGRSNMJWLRB-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@H]21)C1CCC1 ZINC001021606454 714166645 /nfs/dbraw/zinc/16/66/45/714166645.db2.gz QEPSRECSEWRLJP-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21)C1CCC1 ZINC001021606454 714166646 /nfs/dbraw/zinc/16/66/46/714166646.db2.gz QEPSRECSEWRLJP-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667767 714266515 /nfs/dbraw/zinc/26/65/15/714266515.db2.gz HQAZAMRHRGSYCX-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667767 714266519 /nfs/dbraw/zinc/26/65/19/714266519.db2.gz HQAZAMRHRGSYCX-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001021676842 714285566 /nfs/dbraw/zinc/28/55/66/714285566.db2.gz FGBMMSQSHCRSSK-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC001021676842 714285568 /nfs/dbraw/zinc/28/55/68/714285568.db2.gz FGBMMSQSHCRSSK-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679140 714289457 /nfs/dbraw/zinc/28/94/57/714289457.db2.gz MEJABHLDLPPBRZ-NVXWUHKLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679140 714289458 /nfs/dbraw/zinc/28/94/58/714289458.db2.gz MEJABHLDLPPBRZ-NVXWUHKLSA-N 1 3 332.492 2.701 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@H]3[C@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679060 714289603 /nfs/dbraw/zinc/28/96/03/714289603.db2.gz LNPPKMFPYGZOJC-AEFFLSMTSA-N 1 3 344.503 2.701 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@H]3[C@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679060 714289605 /nfs/dbraw/zinc/28/96/05/714289605.db2.gz LNPPKMFPYGZOJC-AEFFLSMTSA-N 1 3 344.503 2.701 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001021679389 714290384 /nfs/dbraw/zinc/29/03/84/714290384.db2.gz NTUWMHVZIYJHRF-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001021679389 714290387 /nfs/dbraw/zinc/29/03/87/714290387.db2.gz NTUWMHVZIYJHRF-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CCF)C[C@@H]3C2)c1 ZINC000980242665 717973086 /nfs/dbraw/zinc/97/30/86/717973086.db2.gz MJEFMYGXFHSDTQ-CEXWTWQISA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCF)C[C@@H]3C2)c1 ZINC000980242665 717973090 /nfs/dbraw/zinc/97/30/90/717973090.db2.gz MJEFMYGXFHSDTQ-CEXWTWQISA-N 1 3 347.478 2.548 20 0 EFADHO CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742939 714412603 /nfs/dbraw/zinc/41/26/03/714412603.db2.gz NLIFQEPZBULPSQ-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742939 714412606 /nfs/dbraw/zinc/41/26/06/714412606.db2.gz NLIFQEPZBULPSQ-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205032 714464647 /nfs/dbraw/zinc/46/46/47/714464647.db2.gz SBSDANZKRIANQK-AEFFLSMTSA-N 1 3 341.455 2.560 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC000971205032 714464649 /nfs/dbraw/zinc/46/46/49/714464649.db2.gz SBSDANZKRIANQK-AEFFLSMTSA-N 1 3 341.455 2.560 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521840 714688247 /nfs/dbraw/zinc/68/82/47/714688247.db2.gz DYFXDEXSLAOZEK-OALUTQOASA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521840 714688249 /nfs/dbraw/zinc/68/82/49/714688249.db2.gz DYFXDEXSLAOZEK-OALUTQOASA-N 1 3 347.478 2.731 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000971526212 714690157 /nfs/dbraw/zinc/69/01/57/714690157.db2.gz VBKNVZBFQHTAFN-QZTJIDSGSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000971526212 714690158 /nfs/dbraw/zinc/69/01/58/714690158.db2.gz VBKNVZBFQHTAFN-QZTJIDSGSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971564511 714709807 /nfs/dbraw/zinc/70/98/07/714709807.db2.gz XLPIPQSMKBPFQE-ATZDWAIDSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971564511 714709808 /nfs/dbraw/zinc/70/98/08/714709808.db2.gz XLPIPQSMKBPFQE-ATZDWAIDSA-N 1 3 347.478 2.507 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022070762 714722470 /nfs/dbraw/zinc/72/24/70/714722470.db2.gz ZHAKXUDSQMGNIZ-SOLBZPMBSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022070762 714722472 /nfs/dbraw/zinc/72/24/72/714722472.db2.gz ZHAKXUDSQMGNIZ-SOLBZPMBSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022070760 714722512 /nfs/dbraw/zinc/72/25/12/714722512.db2.gz ZHAKXUDSQMGNIZ-JZXOWHBKSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001022070760 714722514 /nfs/dbraw/zinc/72/25/14/714722514.db2.gz ZHAKXUDSQMGNIZ-JZXOWHBKSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1)N1CCCCC1 ZINC001022077251 714731282 /nfs/dbraw/zinc/73/12/82/714731282.db2.gz MOVBQIZGHNFHBO-HDICACEKSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC001022077832 714731455 /nfs/dbraw/zinc/73/14/55/714731455.db2.gz UVUGLOFCFKZRJL-HDICACEKSA-N 1 3 329.488 2.688 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccccc3F)C2)CC[N@@H+]1C ZINC001022107519 714752803 /nfs/dbraw/zinc/75/28/03/714752803.db2.gz YGVBGXOOTUXQEH-BBHOWBALSA-N 1 3 347.478 2.854 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@@H](C)c3ccccc3F)C2)CC[N@H+]1C ZINC001022107519 714752806 /nfs/dbraw/zinc/75/28/06/714752806.db2.gz YGVBGXOOTUXQEH-BBHOWBALSA-N 1 3 347.478 2.854 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000891475688 714776078 /nfs/dbraw/zinc/77/60/78/714776078.db2.gz JBSFMHVCKBRJSU-IEBWSBKVSA-N 1 3 346.519 2.663 20 0 EFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000891560853 714823141 /nfs/dbraw/zinc/82/31/41/714823141.db2.gz RQBYKJIMACEKCT-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CCN(C(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000891560851 714823177 /nfs/dbraw/zinc/82/31/77/714823177.db2.gz RQBYKJIMACEKCT-MOPGFXCFSA-N 1 3 344.503 2.607 20 0 EFADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1)C1CCCC1 ZINC000891559268 714824228 /nfs/dbraw/zinc/82/42/28/714824228.db2.gz DAPAPBLWNDBKMQ-VDZJLULYSA-N 1 3 348.535 2.552 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971674748 714870832 /nfs/dbraw/zinc/87/08/32/714870832.db2.gz WLGPLIBCUKZPJA-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971674748 714870835 /nfs/dbraw/zinc/87/08/35/714870835.db2.gz WLGPLIBCUKZPJA-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971673613 714872730 /nfs/dbraw/zinc/87/27/30/714872730.db2.gz IWQAYGLAMQRUAH-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971673613 714872733 /nfs/dbraw/zinc/87/27/33/714872733.db2.gz IWQAYGLAMQRUAH-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)CCC1 ZINC000971674018 714873011 /nfs/dbraw/zinc/87/30/11/714873011.db2.gz MODVPSXGGIBRCJ-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)CCC1 ZINC000971674018 714873012 /nfs/dbraw/zinc/87/30/12/714873012.db2.gz MODVPSXGGIBRCJ-GOSISDBHSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971676235 714873707 /nfs/dbraw/zinc/87/37/07/714873707.db2.gz DVZUXZGFOKDQPN-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971676235 714873712 /nfs/dbraw/zinc/87/37/12/714873712.db2.gz DVZUXZGFOKDQPN-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971678414 714875524 /nfs/dbraw/zinc/87/55/24/714875524.db2.gz MLNXSPMGMZUBEI-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971678414 714875527 /nfs/dbraw/zinc/87/55/27/714875527.db2.gz MLNXSPMGMZUBEI-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675588 714875726 /nfs/dbraw/zinc/87/57/26/714875726.db2.gz ZKQTYGZEEZNPGD-WMZOPIPTSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675588 714875728 /nfs/dbraw/zinc/87/57/28/714875728.db2.gz ZKQTYGZEEZNPGD-WMZOPIPTSA-N 1 3 329.488 2.765 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCc4ccccc43)C2)CCC1 ZINC000971679021 714876466 /nfs/dbraw/zinc/87/64/66/714876466.db2.gz PSJHWZQLXWXJLG-IEBWSBKVSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H]3CCc4ccccc43)C2)CCC1 ZINC000971679021 714876468 /nfs/dbraw/zinc/87/64/68/714876468.db2.gz PSJHWZQLXWXJLG-IEBWSBKVSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCc4ccccc43)C2)CCC1 ZINC000971679023 714876663 /nfs/dbraw/zinc/87/66/63/714876663.db2.gz PSJHWZQLXWXJLG-PKOBYXMFSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)[C@@H]3CCc4ccccc43)C2)CCC1 ZINC000971679023 714876666 /nfs/dbraw/zinc/87/66/66/714876666.db2.gz PSJHWZQLXWXJLG-PKOBYXMFSA-N 1 3 341.499 2.691 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000971679044 714876723 /nfs/dbraw/zinc/87/67/23/714876723.db2.gz QESUUAIKCVFVEJ-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000971679044 714876725 /nfs/dbraw/zinc/87/67/25/714876725.db2.gz QESUUAIKCVFVEJ-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CCC1 ZINC000971679870 714877848 /nfs/dbraw/zinc/87/78/48/714877848.db2.gz WEYIRMWFIDXOKT-QGZVFWFLSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CCC1 ZINC000971679870 714877850 /nfs/dbraw/zinc/87/78/50/714877850.db2.gz WEYIRMWFIDXOKT-QGZVFWFLSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC000971687904 714883010 /nfs/dbraw/zinc/88/30/10/714883010.db2.gz PONYQCLLKAMMSV-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CCC1 ZINC000971687904 714883011 /nfs/dbraw/zinc/88/30/11/714883011.db2.gz PONYQCLLKAMMSV-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687977 714883093 /nfs/dbraw/zinc/88/30/93/714883093.db2.gz RKLMCYRNOZOSMM-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687977 714883095 /nfs/dbraw/zinc/88/30/95/714883095.db2.gz RKLMCYRNOZOSMM-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684884 714884534 /nfs/dbraw/zinc/88/45/34/714884534.db2.gz JXVDHSZLGSXGGY-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684884 714884535 /nfs/dbraw/zinc/88/45/35/714884535.db2.gz JXVDHSZLGSXGGY-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689435 714887663 /nfs/dbraw/zinc/88/76/63/714887663.db2.gz ICVVTYOEVJEBLZ-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689435 714887666 /nfs/dbraw/zinc/88/76/66/714887666.db2.gz ICVVTYOEVJEBLZ-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000971715137 714904110 /nfs/dbraw/zinc/90/41/10/714904110.db2.gz DYYKMTJYDHZTEE-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000971715137 714904112 /nfs/dbraw/zinc/90/41/12/714904112.db2.gz DYYKMTJYDHZTEE-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971734504 714920496 /nfs/dbraw/zinc/92/04/96/714920496.db2.gz BFOMBGOLISVISR-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971734504 714920499 /nfs/dbraw/zinc/92/04/99/714920499.db2.gz BFOMBGOLISVISR-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1F ZINC000971735728 714922003 /nfs/dbraw/zinc/92/20/03/714922003.db2.gz LTHDJLKSHIULCF-HKUYNNGSSA-N 1 3 349.494 2.753 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971777957 714956191 /nfs/dbraw/zinc/95/61/91/714956191.db2.gz INNBEEOWAHWBKX-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971777957 714956192 /nfs/dbraw/zinc/95/61/92/714956192.db2.gz INNBEEOWAHWBKX-RBUKOAKNSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000971784926 714958286 /nfs/dbraw/zinc/95/82/86/714958286.db2.gz NUNAYMXAASMNRN-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000971784926 714958287 /nfs/dbraw/zinc/95/82/87/714958287.db2.gz NUNAYMXAASMNRN-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001022278243 714961510 /nfs/dbraw/zinc/96/15/10/714961510.db2.gz IOJVPAWYNBPIRE-SFNKJDCFSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001022278243 714961512 /nfs/dbraw/zinc/96/15/12/714961512.db2.gz IOJVPAWYNBPIRE-SFNKJDCFSA-N 1 3 345.462 2.579 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CC[NH2+]C(C)(C)C)c(C)c2)CC1 ZINC000326506670 715006920 /nfs/dbraw/zinc/00/69/20/715006920.db2.gz QVBMTZGMXLZISB-UHFFFAOYSA-N 1 3 346.519 2.854 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2Cl)C1)C12CCC[NH+]1CCC2 ZINC001022360979 715039700 /nfs/dbraw/zinc/03/97/00/715039700.db2.gz LWSVDZRRLWZSNW-IYBDPMFKSA-N 1 3 347.890 2.705 20 0 EFADHO CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCCN(C)C1 ZINC000891846150 715058875 /nfs/dbraw/zinc/05/88/75/715058875.db2.gz IYMAERJWRCWOOU-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](c1ccccc1)N(C)C ZINC000891894585 715098171 /nfs/dbraw/zinc/09/81/71/715098171.db2.gz OWYNGVXJROGNKN-QWXYKEQDSA-N 1 3 344.503 2.508 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000891894899 715098200 /nfs/dbraw/zinc/09/82/00/715098200.db2.gz VRWNFOIVAHFDIT-JQHSSLGASA-N 1 3 346.519 2.755 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](CC3CC3)CC3CCC3)CC2)CCC1 ZINC001039486971 715247168 /nfs/dbraw/zinc/24/71/68/715247168.db2.gz WMKMMCRWKIAZRD-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](CC3CC3)CC3CCC3)CC2)CCC1 ZINC001039486971 715247170 /nfs/dbraw/zinc/24/71/70/715247170.db2.gz WMKMMCRWKIAZRD-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO c1cc2c(c(CN3CCC(OCC[NH+]4CCCC4)CC3)c1)OCC2 ZINC000892130306 715267295 /nfs/dbraw/zinc/26/72/95/715267295.db2.gz JRDHDSQXXUDCTF-UHFFFAOYSA-N 1 3 330.472 2.698 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001024630622 718040980 /nfs/dbraw/zinc/04/09/80/718040980.db2.gz SZJVHXMCBCWNCA-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042650 715336755 /nfs/dbraw/zinc/33/67/55/715336755.db2.gz KMYVLVYUPOHRTF-QFBILLFUSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001027043096 715337637 /nfs/dbraw/zinc/33/76/37/715337637.db2.gz VZFHAZJMLPSHAI-RBUKOAKNSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001027043953 715340484 /nfs/dbraw/zinc/34/04/84/715340484.db2.gz PCBWBJZNFJYVPI-VQTJNVASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001027043954 715340595 /nfs/dbraw/zinc/34/05/95/715340595.db2.gz PCBWBJZNFJYVPI-WOJBJXKFSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001027045216 715342437 /nfs/dbraw/zinc/34/24/37/715342437.db2.gz OIXOESCFNWEZQW-RTBURBONSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCC(F)(F)F ZINC000947493177 715359794 /nfs/dbraw/zinc/35/97/94/715359794.db2.gz QGMONJCOBNKFQG-KBPBESRZSA-N 1 3 347.425 2.536 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC001022711708 715409019 /nfs/dbraw/zinc/40/90/19/715409019.db2.gz CRXDLKAOXCIPKD-IHETXDGRSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001022711962 715410217 /nfs/dbraw/zinc/41/02/17/715410217.db2.gz HAJMHHCPNNPXCK-RRQGHBQHSA-N 1 3 335.879 2.561 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022712513 715411517 /nfs/dbraw/zinc/41/15/17/715411517.db2.gz RQXVWUOVZARKTQ-OAGGEKHMSA-N 1 3 349.906 2.870 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001022712398 715411527 /nfs/dbraw/zinc/41/15/27/715411527.db2.gz QCECXSSVHJVXRI-UEILYKACSA-N 1 3 345.462 2.534 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001022712797 715413045 /nfs/dbraw/zinc/41/30/45/715413045.db2.gz ZVGQLDAXFSMBLP-YSGRDPCXSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)c(Cl)c1 ZINC001022712798 715413185 /nfs/dbraw/zinc/41/31/85/715413185.db2.gz ZZOFGJGVIIBFBF-BHYGNILZSA-N 1 3 349.906 2.870 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001027062984 715414796 /nfs/dbraw/zinc/41/47/96/715414796.db2.gz GFIDVBLXIKXHCJ-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001027063467 715415883 /nfs/dbraw/zinc/41/58/83/715415883.db2.gz LOBGQTKXJUMALZ-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001027063554 715416159 /nfs/dbraw/zinc/41/61/59/715416159.db2.gz NIOZYYXJDZYZEN-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063836 715417214 /nfs/dbraw/zinc/41/72/14/715417214.db2.gz SUZQMPUYBXENID-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001027064297 715417940 /nfs/dbraw/zinc/41/79/40/715417940.db2.gz BCWISXCQXQRCPS-OXQOHEQNSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC001027064810 715418992 /nfs/dbraw/zinc/41/89/92/715418992.db2.gz KTFYJGZCGFYBKO-YOEHRIQHSA-N 1 3 349.544 2.645 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027064987 715419071 /nfs/dbraw/zinc/41/90/71/715419071.db2.gz OFXMRENCCXDWOM-APWZRJJASA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001027065503 715420994 /nfs/dbraw/zinc/42/09/94/715420994.db2.gz ZGNFJYJIQKRNMG-HKUYNNGSSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027065575 715421557 /nfs/dbraw/zinc/42/15/57/715421557.db2.gz APQJSJQYMYSLLD-SFHVURJKSA-N 1 3 343.515 2.665 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001027066014 715421956 /nfs/dbraw/zinc/42/19/56/715421956.db2.gz KARUPBLWVWZKBS-ACBHZAAOSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001022716583 715433073 /nfs/dbraw/zinc/43/30/73/715433073.db2.gz AGRDIXXKKFCZCU-ZYSHUDEJSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c(C)c1 ZINC001022716668 715433796 /nfs/dbraw/zinc/43/37/96/715433796.db2.gz DUYZOLJKXXIGMA-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001022716715 715433808 /nfs/dbraw/zinc/43/38/08/715433808.db2.gz GKRVOJMTOBWZHM-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1F ZINC001022716676 715433866 /nfs/dbraw/zinc/43/38/66/715433866.db2.gz FBGCWDPVBLKMPD-HRCADAONSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1C ZINC001022716838 715434521 /nfs/dbraw/zinc/43/45/21/715434521.db2.gz JQGFAFOSZKBLMI-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718299 715439279 /nfs/dbraw/zinc/43/92/79/715439279.db2.gz BONXDJTUKVUTAE-MPTYRVRUSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718299 715439282 /nfs/dbraw/zinc/43/92/82/715439282.db2.gz BONXDJTUKVUTAE-MPTYRVRUSA-N 1 3 349.906 2.583 20 0 EFADHO CCCC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041234 715445669 /nfs/dbraw/zinc/44/56/69/715445669.db2.gz RYJFCRGZFPEVSO-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@H+]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041234 715445672 /nfs/dbraw/zinc/44/56/72/715445672.db2.gz RYJFCRGZFPEVSO-KXBFYZLASA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041227 715446072 /nfs/dbraw/zinc/44/60/72/715446072.db2.gz RYJFCRGZFPEVSO-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975041227 715446073 /nfs/dbraw/zinc/44/60/73/715446073.db2.gz RYJFCRGZFPEVSO-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034843 715457897 /nfs/dbraw/zinc/45/78/97/715457897.db2.gz GDXFQCHRSLLOFV-HNAYVOBHSA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034843 715457900 /nfs/dbraw/zinc/45/79/00/715457900.db2.gz GDXFQCHRSLLOFV-HNAYVOBHSA-N 1 3 341.515 2.682 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332912 715470671 /nfs/dbraw/zinc/47/06/71/715470671.db2.gz RXKZWZUMEVEPPV-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001027332912 715470675 /nfs/dbraw/zinc/47/06/75/715470675.db2.gz RXKZWZUMEVEPPV-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001027070391 715493933 /nfs/dbraw/zinc/49/39/33/715493933.db2.gz QDNROVPZLCQNOW-MOPGFXCFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001027070545 715494603 /nfs/dbraw/zinc/49/46/03/715494603.db2.gz SXVXVMYWLGSJDG-PXNSSMCTSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC001027090592 715543584 /nfs/dbraw/zinc/54/35/84/715543584.db2.gz SJVVIBUCEBRNSP-ZIAGYGMSSA-N 1 3 346.862 2.805 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(Cl)c1 ZINC001027091852 715546275 /nfs/dbraw/zinc/54/62/75/715546275.db2.gz VWBQSNPUPPDFKJ-AWEZNQCLSA-N 1 3 346.862 2.552 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232840 715568802 /nfs/dbraw/zinc/56/88/02/715568802.db2.gz UPZYSKLWGBOLJZ-DNVCBOLYSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232839 715568975 /nfs/dbraw/zinc/56/89/75/715568975.db2.gz UPZYSKLWGBOLJZ-BEFAXECRSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972265577 715612077 /nfs/dbraw/zinc/61/20/77/715612077.db2.gz MVLDVMJRWXZABD-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972265577 715612079 /nfs/dbraw/zinc/61/20/79/715612079.db2.gz MVLDVMJRWXZABD-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972330422 715700975 /nfs/dbraw/zinc/70/09/75/715700975.db2.gz GDFNLXHUNYKCQF-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972330422 715700978 /nfs/dbraw/zinc/70/09/78/715700978.db2.gz GDFNLXHUNYKCQF-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332022 715701797 /nfs/dbraw/zinc/70/17/97/715701797.db2.gz ACZHCUDRCLRANM-MAUKXSAKSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332022 715701803 /nfs/dbraw/zinc/70/18/03/715701803.db2.gz ACZHCUDRCLRANM-MAUKXSAKSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000972332243 715702641 /nfs/dbraw/zinc/70/26/41/715702641.db2.gz BLTNZKNQSPBASH-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000972332243 715702644 /nfs/dbraw/zinc/70/26/44/715702644.db2.gz BLTNZKNQSPBASH-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO C[N@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972332288 715702958 /nfs/dbraw/zinc/70/29/58/715702958.db2.gz PCJPIAWZTMLHGG-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO C[N@@H+](CC1=CCCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972332288 715702962 /nfs/dbraw/zinc/70/29/62/715702962.db2.gz PCJPIAWZTMLHGG-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972334752 715708466 /nfs/dbraw/zinc/70/84/66/715708466.db2.gz JEXMAFFVOFXVLT-HNAYVOBHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000972334752 715708471 /nfs/dbraw/zinc/70/84/71/715708471.db2.gz JEXMAFFVOFXVLT-HNAYVOBHSA-N 1 3 347.478 2.509 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972334761 715708702 /nfs/dbraw/zinc/70/87/02/715708702.db2.gz JNKYYVVXKBDINS-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972334761 715708704 /nfs/dbraw/zinc/70/87/04/715708704.db2.gz JNKYYVVXKBDINS-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000972334493 715708827 /nfs/dbraw/zinc/70/88/27/715708827.db2.gz HHMNPTOEDMDDHJ-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000972334493 715708830 /nfs/dbraw/zinc/70/88/30/715708830.db2.gz HHMNPTOEDMDDHJ-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336009 715711488 /nfs/dbraw/zinc/71/14/88/715711488.db2.gz UCHLBFBBMRHCTF-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336009 715711491 /nfs/dbraw/zinc/71/14/91/715711491.db2.gz UCHLBFBBMRHCTF-XLIONFOSSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972336515 715712225 /nfs/dbraw/zinc/71/22/25/715712225.db2.gz XVQCDPMPOUNCDI-DNVCBOLYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972336515 715712226 /nfs/dbraw/zinc/71/22/26/715712226.db2.gz XVQCDPMPOUNCDI-DNVCBOLYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cs1 ZINC000972340713 715718326 /nfs/dbraw/zinc/71/83/26/715718326.db2.gz SNTKFTCCADCMRR-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)cs1 ZINC000972340713 715718328 /nfs/dbraw/zinc/71/83/28/715718328.db2.gz SNTKFTCCADCMRR-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC001022808623 715730635 /nfs/dbraw/zinc/73/06/35/715730635.db2.gz YKDNIBSRBNITCG-XHSDSOJGSA-N 1 3 343.462 2.531 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000972352391 715736569 /nfs/dbraw/zinc/73/65/69/715736569.db2.gz BSSIIQLWLIXKHA-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000972352391 715736571 /nfs/dbraw/zinc/73/65/71/715736571.db2.gz BSSIIQLWLIXKHA-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972353793 715738911 /nfs/dbraw/zinc/73/89/11/715738911.db2.gz INNBEEOWAHWBKX-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972353793 715738914 /nfs/dbraw/zinc/73/89/14/715738914.db2.gz INNBEEOWAHWBKX-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000972354989 715741615 /nfs/dbraw/zinc/74/16/15/715741615.db2.gz QJXSTUBEPLSAOL-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000972354989 715741617 /nfs/dbraw/zinc/74/16/17/715741617.db2.gz QJXSTUBEPLSAOL-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022837211 715776408 /nfs/dbraw/zinc/77/64/08/715776408.db2.gz RNTGEWCGWHJTND-MJQMVNBJSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022837211 715776414 /nfs/dbraw/zinc/77/64/14/715776414.db2.gz RNTGEWCGWHJTND-MJQMVNBJSA-N 1 3 345.462 2.579 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001027441062 715810625 /nfs/dbraw/zinc/81/06/25/715810625.db2.gz RIJTWYMCOGLERV-QGZVFWFLSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001027441062 715810630 /nfs/dbraw/zinc/81/06/30/715810630.db2.gz RIJTWYMCOGLERV-QGZVFWFLSA-N 1 3 349.544 2.964 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1)C1CCC1 ZINC001027441914 715811275 /nfs/dbraw/zinc/81/12/75/715811275.db2.gz MMUWPHZIHYMJHE-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1)C1CCC1 ZINC001027441914 715811278 /nfs/dbraw/zinc/81/12/78/715811278.db2.gz MMUWPHZIHYMJHE-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027462599 715886253 /nfs/dbraw/zinc/88/62/53/715886253.db2.gz ZSNJLOJOMONKEZ-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027462599 715886258 /nfs/dbraw/zinc/88/62/58/715886258.db2.gz ZSNJLOJOMONKEZ-RBUKOAKNSA-N 1 3 349.494 2.897 20 0 EFADHO C[N@H+](Cc1cccc2ccccc21)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430003 715887413 /nfs/dbraw/zinc/88/74/13/715887413.db2.gz XFRDJTDIFOQFCI-IBGZPJMESA-N 1 3 348.450 2.838 20 0 EFADHO C[N@@H+](Cc1cccc2ccccc21)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430003 715887417 /nfs/dbraw/zinc/88/74/17/715887417.db2.gz XFRDJTDIFOQFCI-IBGZPJMESA-N 1 3 348.450 2.838 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027464741 715901727 /nfs/dbraw/zinc/90/17/27/715901727.db2.gz OTUVHAGFBOYAMX-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001027464741 715901730 /nfs/dbraw/zinc/90/17/30/715901730.db2.gz OTUVHAGFBOYAMX-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1)C1CCC1 ZINC000985466649 724432822 /nfs/dbraw/zinc/43/28/22/724432822.db2.gz DDLRXRVKIPWEJB-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1)C1CCC1 ZINC000985466649 724432823 /nfs/dbraw/zinc/43/28/23/724432823.db2.gz DDLRXRVKIPWEJB-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)C1CCC1 ZINC000985466609 724432857 /nfs/dbraw/zinc/43/28/57/724432857.db2.gz AOUGEIACIQGKKK-UHFFFAOYSA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)C1CCC1 ZINC000985466609 724432859 /nfs/dbraw/zinc/43/28/59/724432859.db2.gz AOUGEIACIQGKKK-UHFFFAOYSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217000 715921086 /nfs/dbraw/zinc/92/10/86/715921086.db2.gz DALYHXIABRZGPG-INIZCTEOSA-N 1 3 349.906 2.682 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217286 715921120 /nfs/dbraw/zinc/92/11/20/715921120.db2.gz HMWFBHFFSBAMQI-FQEVSTJZSA-N 1 3 343.515 2.673 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217454 715921471 /nfs/dbraw/zinc/92/14/71/715921471.db2.gz LBYTYFTYIBTXNN-IBGZPJMESA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001027217392 715921700 /nfs/dbraw/zinc/92/17/00/715921700.db2.gz JRKWVESDJQBIPK-CVEARBPZSA-N 1 3 349.906 2.935 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001027217916 715922013 /nfs/dbraw/zinc/92/20/13/715922013.db2.gz SJJYPSUDMUABFQ-QGZVFWFLSA-N 1 3 341.499 2.598 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027218056 715922103 /nfs/dbraw/zinc/92/21/03/715922103.db2.gz WVAOQKRDNMXRIA-RTBURBONSA-N 1 3 343.515 2.898 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC000985467491 724434430 /nfs/dbraw/zinc/43/44/30/724434430.db2.gz KATIVEZMKLNGSU-GOSISDBHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1)C1CC1 ZINC000985467491 724434431 /nfs/dbraw/zinc/43/44/31/724434431.db2.gz KATIVEZMKLNGSU-GOSISDBHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CC3CCC3)C2)c1 ZINC001027234148 715946314 /nfs/dbraw/zinc/94/63/14/715946314.db2.gz QGMLGOFIECAMMC-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001027234679 715946685 /nfs/dbraw/zinc/94/66/85/715946685.db2.gz BRABWYPCZLRVAT-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001027234621 715946753 /nfs/dbraw/zinc/94/67/53/715946753.db2.gz ANZAEJFQEHPKCC-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001027235741 715949495 /nfs/dbraw/zinc/94/94/95/715949495.db2.gz UMXJAMHXERBAQX-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000985468004 724437304 /nfs/dbraw/zinc/43/73/04/724437304.db2.gz NOQCNSADFQVZOJ-IBGZPJMESA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000985468004 724437305 /nfs/dbraw/zinc/43/73/05/724437305.db2.gz NOQCNSADFQVZOJ-IBGZPJMESA-N 1 3 347.547 2.830 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478111 715968369 /nfs/dbraw/zinc/96/83/69/715968369.db2.gz PHHUUGCQQPEFIC-KRWDZBQOSA-N 1 3 347.528 2.799 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000236741583 716005668 /nfs/dbraw/zinc/00/56/68/716005668.db2.gz GPADRUSNIZVVKH-SFHVURJKSA-N 1 3 332.492 2.529 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1)C1CCC1 ZINC000985468660 724441598 /nfs/dbraw/zinc/44/15/98/724441598.db2.gz YJUGUQUXPQWDEW-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1)C1CCC1 ZINC000985468660 724441599 /nfs/dbraw/zinc/44/15/99/724441599.db2.gz YJUGUQUXPQWDEW-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972482880 716012525 /nfs/dbraw/zinc/01/25/25/716012525.db2.gz OGMSCPABKXPUSK-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CC3CCCCC3)CC2)CCC1 ZINC000985468813 724442108 /nfs/dbraw/zinc/44/21/08/724442108.db2.gz BMZKAZQBBZQVRA-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CC3CCCCC3)CC2)CCC1 ZINC000985468813 724442110 /nfs/dbraw/zinc/44/21/10/724442110.db2.gz BMZKAZQBBZQVRA-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccc(F)cc1 ZINC001023025201 716091394 /nfs/dbraw/zinc/09/13/94/716091394.db2.gz ZOMILNQGSNINLD-BBWFWOEESA-N 1 3 344.434 2.788 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001023025179 716091858 /nfs/dbraw/zinc/09/18/58/716091858.db2.gz YMEFGDYRUSEYPS-IYBDPMFKSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001023122954 716161739 /nfs/dbraw/zinc/16/17/39/716161739.db2.gz LEGNVGIKUBNMMS-LFGUQSLTSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001023123186 716162314 /nfs/dbraw/zinc/16/23/14/716162314.db2.gz RJHXHEJUWLNWPO-QGZVKYPTSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c(C)c1 ZINC001023124289 716163051 /nfs/dbraw/zinc/16/30/51/716163051.db2.gz FABZHKGYBGNADG-TZRIAGMCSA-N 1 3 343.515 2.913 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001023128935 716165503 /nfs/dbraw/zinc/16/55/03/716165503.db2.gz ZLYAROXOCAOZBS-GGXPGOJBSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001023131000 716166228 /nfs/dbraw/zinc/16/62/28/716166228.db2.gz RXXVOQPOIDTHGD-ZCNNSNEGSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001023130985 716166317 /nfs/dbraw/zinc/16/63/17/716166317.db2.gz QXAQSIAMKWJTKV-HSALFYBXSA-N 1 3 343.515 2.649 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594620 716374998 /nfs/dbraw/zinc/37/49/98/716374998.db2.gz FGNHZLLNBGIVCZ-WBVHZDCISA-N 1 3 349.544 2.643 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594620 716375003 /nfs/dbraw/zinc/37/50/03/716375003.db2.gz FGNHZLLNBGIVCZ-WBVHZDCISA-N 1 3 349.544 2.643 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402697 716423488 /nfs/dbraw/zinc/42/34/88/716423488.db2.gz QYIYZZXGSNNIQT-LSDHHAIUSA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402697 716423491 /nfs/dbraw/zinc/42/34/91/716423491.db2.gz QYIYZZXGSNNIQT-LSDHHAIUSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@@H](c1ccccc1F)N1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977624064 716425556 /nfs/dbraw/zinc/42/55/56/716425556.db2.gz PPJKCIPJOUMXFP-MAUKXSAKSA-N 1 3 347.478 2.809 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CCCF)CC2(C)C)c1 ZINC000977641423 716433537 /nfs/dbraw/zinc/43/35/37/716433537.db2.gz NTAOKEFSEWMZPF-QGZVFWFLSA-N 1 3 335.467 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CCCF)CC2(C)C)c1 ZINC000977641423 716433540 /nfs/dbraw/zinc/43/35/40/716433540.db2.gz NTAOKEFSEWMZPF-QGZVFWFLSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC001027681075 716488963 /nfs/dbraw/zinc/48/89/63/716488963.db2.gz OQTIZPATYGYFSP-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC001027681075 716488966 /nfs/dbraw/zinc/48/89/66/716488966.db2.gz OQTIZPATYGYFSP-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693053 716543890 /nfs/dbraw/zinc/54/38/90/716543890.db2.gz QQXDOYGMRXEGEV-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001027693053 716543891 /nfs/dbraw/zinc/54/38/91/716543891.db2.gz QQXDOYGMRXEGEV-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000978950749 716597896 /nfs/dbraw/zinc/59/78/96/716597896.db2.gz OMDVWSCTBSPYPK-AKHDSKFASA-N 1 3 335.536 2.735 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000978950749 716597901 /nfs/dbraw/zinc/59/79/01/716597901.db2.gz OMDVWSCTBSPYPK-AKHDSKFASA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027576923 716700319 /nfs/dbraw/zinc/70/03/19/716700319.db2.gz ZTMARZRMHRHIQG-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027576923 716700321 /nfs/dbraw/zinc/70/03/21/716700321.db2.gz ZTMARZRMHRHIQG-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027575683 716705065 /nfs/dbraw/zinc/70/50/65/716705065.db2.gz CDNFXXVFPCFMFU-PXNSSMCTSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027575683 716705070 /nfs/dbraw/zinc/70/50/70/716705070.db2.gz CDNFXXVFPCFMFU-PXNSSMCTSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027575995 716708403 /nfs/dbraw/zinc/70/84/03/716708403.db2.gz HYRPOVXBIKYQKF-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027575995 716708405 /nfs/dbraw/zinc/70/84/05/716708405.db2.gz HYRPOVXBIKYQKF-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576086 716709203 /nfs/dbraw/zinc/70/92/03/716709203.db2.gz JXQPXQIZXGOLQR-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576086 716709207 /nfs/dbraw/zinc/70/92/07/716709207.db2.gz JXQPXQIZXGOLQR-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577077 716709718 /nfs/dbraw/zinc/70/97/18/716709718.db2.gz CWECMHBOLWCCRU-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577077 716709722 /nfs/dbraw/zinc/70/97/22/716709722.db2.gz CWECMHBOLWCCRU-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001027576521 716713923 /nfs/dbraw/zinc/71/39/23/716713923.db2.gz QFZOBADQDOZFBE-DLBZAZTESA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001027576521 716713929 /nfs/dbraw/zinc/71/39/29/716713929.db2.gz QFZOBADQDOZFBE-DLBZAZTESA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576553 716715018 /nfs/dbraw/zinc/71/50/18/716715018.db2.gz RESQHDPEVRYBIB-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576553 716715023 /nfs/dbraw/zinc/71/50/23/716715023.db2.gz RESQHDPEVRYBIB-SJLPKXTDSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000972611244 716721210 /nfs/dbraw/zinc/72/12/10/716721210.db2.gz ZKBTUYLHVDKHLD-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000972611244 716721214 /nfs/dbraw/zinc/72/12/14/716721214.db2.gz ZKBTUYLHVDKHLD-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCc3cccs3)C2)CC1 ZINC000972611715 716722165 /nfs/dbraw/zinc/72/21/65/716722165.db2.gz FELCLRWDVIPNPI-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCc3cccs3)C2)CC1 ZINC000972611715 716722168 /nfs/dbraw/zinc/72/21/68/716722168.db2.gz FELCLRWDVIPNPI-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027578460 716732452 /nfs/dbraw/zinc/73/24/52/716732452.db2.gz KVWZVAUSWJKSSJ-SJORKVTESA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027578460 716732460 /nfs/dbraw/zinc/73/24/60/716732460.db2.gz KVWZVAUSWJKSSJ-SJORKVTESA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027578739 716735298 /nfs/dbraw/zinc/73/52/98/716735298.db2.gz SIOSWMWQOVUKIU-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027578739 716735304 /nfs/dbraw/zinc/73/53/04/716735304.db2.gz SIOSWMWQOVUKIU-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023695467 716837880 /nfs/dbraw/zinc/83/78/80/716837880.db2.gz BSFXWQBLSCFBIT-ROUUACIJSA-N 1 3 341.515 2.829 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023695467 716837885 /nfs/dbraw/zinc/83/78/85/716837885.db2.gz BSFXWQBLSCFBIT-ROUUACIJSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978141800 716838472 /nfs/dbraw/zinc/83/84/72/716838472.db2.gz GQFGZLXEQLWFEK-AKHDSKFASA-N 1 3 347.547 2.589 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000978141800 716838477 /nfs/dbraw/zinc/83/84/77/716838477.db2.gz GQFGZLXEQLWFEK-AKHDSKFASA-N 1 3 347.547 2.589 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593923 716874670 /nfs/dbraw/zinc/87/46/70/716874670.db2.gz AAUWMDKTCLKBJL-SJLPKXTDSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593923 716874673 /nfs/dbraw/zinc/87/46/73/716874673.db2.gz AAUWMDKTCLKBJL-SJLPKXTDSA-N 1 3 340.471 2.945 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000978243499 716923486 /nfs/dbraw/zinc/92/34/86/716923486.db2.gz LSFWLPMHWBOTBO-HAGHYFMRSA-N 1 3 345.531 2.655 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000978243499 716923492 /nfs/dbraw/zinc/92/34/92/716923492.db2.gz LSFWLPMHWBOTBO-HAGHYFMRSA-N 1 3 345.531 2.655 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027605458 716940865 /nfs/dbraw/zinc/94/08/65/716940865.db2.gz XYXZVXRXMLUYNN-GOSISDBHSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761509 716974537 /nfs/dbraw/zinc/97/45/37/716974537.db2.gz BNBNHKAZVIUTOW-SJLPKXTDSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761509 716974541 /nfs/dbraw/zinc/97/45/41/716974541.db2.gz BNBNHKAZVIUTOW-SJLPKXTDSA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762250 716977126 /nfs/dbraw/zinc/97/71/26/716977126.db2.gz VCSHQYFSXJSGQG-IEBWSBKVSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](CC3CCC3)C2)c1 ZINC001023762532 716977949 /nfs/dbraw/zinc/97/79/49/716977949.db2.gz ZBKXBKNUMMCKKX-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001023762532 716977952 /nfs/dbraw/zinc/97/79/52/716977952.db2.gz ZBKXBKNUMMCKKX-LJQANCHMSA-N 1 3 343.515 2.990 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972730772 717159011 /nfs/dbraw/zinc/15/90/11/717159011.db2.gz AKMGWZGLHSEZIT-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972730772 717159014 /nfs/dbraw/zinc/15/90/14/717159014.db2.gz AKMGWZGLHSEZIT-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734135 717161230 /nfs/dbraw/zinc/16/12/30/717161230.db2.gz VXPZALBPISVWOK-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734135 717161231 /nfs/dbraw/zinc/16/12/31/717161231.db2.gz VXPZALBPISVWOK-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734361 717161345 /nfs/dbraw/zinc/16/13/45/717161345.db2.gz XPMXWTYVXVRWHP-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734361 717161346 /nfs/dbraw/zinc/16/13/46/717161346.db2.gz XPMXWTYVXVRWHP-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001024016679 717213940 /nfs/dbraw/zinc/21/39/40/717213940.db2.gz MLQRPOYPYJDLHO-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)C1CCC1 ZINC001024019210 717216307 /nfs/dbraw/zinc/21/63/07/717216307.db2.gz WIRQAPGJDKZFFW-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404745 717217924 /nfs/dbraw/zinc/21/79/24/717217924.db2.gz CRCRDUINPVQFKX-MJGOQNOKSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404745 717217930 /nfs/dbraw/zinc/21/79/30/717217930.db2.gz CRCRDUINPVQFKX-MJGOQNOKSA-N 1 3 329.488 2.685 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405849 717218555 /nfs/dbraw/zinc/21/85/55/717218555.db2.gz LKVBYKPVHMLESI-MOPGFXCFSA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405849 717218561 /nfs/dbraw/zinc/21/85/61/717218561.db2.gz LKVBYKPVHMLESI-MOPGFXCFSA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405851 717218609 /nfs/dbraw/zinc/21/86/09/717218609.db2.gz LKVBYKPVHMLESI-RBUKOAKNSA-N 1 3 329.488 2.766 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405851 717218613 /nfs/dbraw/zinc/21/86/13/717218613.db2.gz LKVBYKPVHMLESI-RBUKOAKNSA-N 1 3 329.488 2.766 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001024018019 717219324 /nfs/dbraw/zinc/21/93/24/717219324.db2.gz ZNMFDXJAEFHHTB-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001024018303 717219831 /nfs/dbraw/zinc/21/98/31/717219831.db2.gz MMKMLIMXPYUBKM-AZUAARDMSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001024018307 717219902 /nfs/dbraw/zinc/21/99/02/717219902.db2.gz MMKMLIMXPYUBKM-QUCCMNQESA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406700 717220573 /nfs/dbraw/zinc/22/05/73/717220573.db2.gz RCBLEANKWPYQOS-RBUKOAKNSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406700 717220575 /nfs/dbraw/zinc/22/05/75/717220575.db2.gz RCBLEANKWPYQOS-RBUKOAKNSA-N 1 3 343.515 2.993 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001024018859 717220799 /nfs/dbraw/zinc/22/07/99/717220799.db2.gz SMLBVMNQWWEVCO-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO C[N@H+](CCc1ccccc1Cl)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407473 717222381 /nfs/dbraw/zinc/22/23/81/717222381.db2.gz YFMGPENKWHJKBH-KRWDZBQOSA-N 1 3 349.906 2.511 20 0 EFADHO C[N@@H+](CCc1ccccc1Cl)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407473 717222383 /nfs/dbraw/zinc/22/23/83/717222383.db2.gz YFMGPENKWHJKBH-KRWDZBQOSA-N 1 3 349.906 2.511 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001024019456 717228208 /nfs/dbraw/zinc/22/82/08/717228208.db2.gz ZLVCNPVURFHFOF-FXAWDEMLSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001024028033 717237704 /nfs/dbraw/zinc/23/77/04/717237704.db2.gz ZJTGPZDRHCDWMK-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001024038237 717248823 /nfs/dbraw/zinc/24/88/23/717248823.db2.gz FUMJCCSQYMVKBV-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483680 717323750 /nfs/dbraw/zinc/32/37/50/717323750.db2.gz RNXMLTHDLILLCA-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC000980483680 717323752 /nfs/dbraw/zinc/32/37/52/717323752.db2.gz RNXMLTHDLILLCA-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485402 717328071 /nfs/dbraw/zinc/32/80/71/717328071.db2.gz JJBDUQJSLZYTRR-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485402 717328077 /nfs/dbraw/zinc/32/80/77/717328077.db2.gz JJBDUQJSLZYTRR-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC000980486933 717330634 /nfs/dbraw/zinc/33/06/34/717330634.db2.gz YCCUFLRCGPDMCS-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000980486933 717330635 /nfs/dbraw/zinc/33/06/35/717330635.db2.gz YCCUFLRCGPDMCS-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000980483001 717340528 /nfs/dbraw/zinc/34/05/28/717340528.db2.gz GFSGCTNHTIZJMP-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000980483001 717340532 /nfs/dbraw/zinc/34/05/32/717340532.db2.gz GFSGCTNHTIZJMP-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000980483500 717342250 /nfs/dbraw/zinc/34/22/50/717342250.db2.gz QANYRLIXQNGDKK-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000980483500 717342252 /nfs/dbraw/zinc/34/22/52/717342252.db2.gz QANYRLIXQNGDKK-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979705618 717365431 /nfs/dbraw/zinc/36/54/31/717365431.db2.gz ANSWBBJUAIDHKR-RCCFBDPRSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC000979705618 717365438 /nfs/dbraw/zinc/36/54/38/717365438.db2.gz ANSWBBJUAIDHKR-RCCFBDPRSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001024139648 717400501 /nfs/dbraw/zinc/40/05/01/717400501.db2.gz MBNSJAMJAFDLMO-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024156587 717451530 /nfs/dbraw/zinc/45/15/30/717451530.db2.gz QEIICGKUMQTPOK-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024156916 717451596 /nfs/dbraw/zinc/45/15/96/717451596.db2.gz VEQVREDUDMURKV-MJGOQNOKSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024156914 717451609 /nfs/dbraw/zinc/45/16/09/717451609.db2.gz VEQVREDUDMURKV-IEBWSBKVSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001024156723 717451627 /nfs/dbraw/zinc/45/16/27/717451627.db2.gz SKVLMTLZTZXZSO-ICSRJNTNSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024157357 717454195 /nfs/dbraw/zinc/45/41/95/717454195.db2.gz ZNZDQAFDQHRFGL-JKSUJKDBSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024157356 717454528 /nfs/dbraw/zinc/45/45/28/717454528.db2.gz ZNZDQAFDQHRFGL-HZPDHXFCSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000980604439 717474779 /nfs/dbraw/zinc/47/47/79/717474779.db2.gz MIHMDDJKOXYYJY-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001024179259 717478093 /nfs/dbraw/zinc/47/80/93/717478093.db2.gz LCCKVGULCHRXOU-OAHLLOKOSA-N 1 3 346.862 2.634 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001024180421 717479289 /nfs/dbraw/zinc/47/92/89/717479289.db2.gz XEGXWJTUAKFKSA-SFHVURJKSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608011 717488880 /nfs/dbraw/zinc/48/88/80/717488880.db2.gz XZYYNIBBVBARFO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3)C2)CC1 ZINC001024211473 717496404 /nfs/dbraw/zinc/49/64/04/717496404.db2.gz AMUJQFNTTNWYQB-FQEVSTJZSA-N 1 3 343.515 2.747 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000985474910 724447588 /nfs/dbraw/zinc/44/75/88/724447588.db2.gz RJZZUCXQWWZQHO-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000985474910 724447590 /nfs/dbraw/zinc/44/75/90/724447590.db2.gz RJZZUCXQWWZQHO-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001024278229 717562829 /nfs/dbraw/zinc/56/28/29/717562829.db2.gz HOTFNDPPUYNNDZ-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024278700 717563523 /nfs/dbraw/zinc/56/35/23/717563523.db2.gz RFXCJYQOXGFZQJ-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699869 717604725 /nfs/dbraw/zinc/60/47/25/717604725.db2.gz GMVVHIOPOVPWOE-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980701088 717606189 /nfs/dbraw/zinc/60/61/89/717606189.db2.gz YJKCUMNSAMTSEX-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703947 717609096 /nfs/dbraw/zinc/60/90/96/717609096.db2.gz JNWCZGGEDKKAHY-WMZOPIPTSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000980707813 717615151 /nfs/dbraw/zinc/61/51/51/717615151.db2.gz GXQACAZBEUYRLW-IAGOWNOFSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739351 717658278 /nfs/dbraw/zinc/65/82/78/717658278.db2.gz PHUPEUBJRFLVJE-QZTJIDSGSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740671 717659950 /nfs/dbraw/zinc/65/99/50/717659950.db2.gz XDNZFYYRXGXHKN-SJLPKXTDSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740674 717659960 /nfs/dbraw/zinc/65/99/60/717659960.db2.gz XDNZFYYRXGXHKN-WMZOPIPTSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001024447145 717730424 /nfs/dbraw/zinc/73/04/24/717730424.db2.gz RLRLTCVLDNDWAO-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001024447145 717730430 /nfs/dbraw/zinc/73/04/30/717730430.db2.gz RLRLTCVLDNDWAO-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001027879203 717744506 /nfs/dbraw/zinc/74/45/06/717744506.db2.gz PBQCOANPNQHTGN-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC001027879203 717744507 /nfs/dbraw/zinc/74/45/07/717744507.db2.gz PBQCOANPNQHTGN-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001027879201 717744732 /nfs/dbraw/zinc/74/47/32/717744732.db2.gz PBQCOANPNQHTGN-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC001027879201 717744737 /nfs/dbraw/zinc/74/47/37/717744737.db2.gz PBQCOANPNQHTGN-PMACEKPBSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027878529 717750792 /nfs/dbraw/zinc/75/07/92/717750792.db2.gz DJFSULSQTMWQAD-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027878529 717750793 /nfs/dbraw/zinc/75/07/93/717750793.db2.gz DJFSULSQTMWQAD-PMACEKPBSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN1CCCC1 ZINC000980799095 717755186 /nfs/dbraw/zinc/75/51/86/717755186.db2.gz FNUVUIQKGGEGPI-VQIMIIECSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000980802073 717766908 /nfs/dbraw/zinc/76/69/08/717766908.db2.gz XYYPYLFDQKGGKB-JKSUJKDBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000980802071 717767084 /nfs/dbraw/zinc/76/70/84/717767084.db2.gz XYYPYLFDQKGGKB-HZPDHXFCSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000980799652 717773579 /nfs/dbraw/zinc/77/35/79/717773579.db2.gz JWGGJHCSEIEUST-PBHICJAKSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000980799505 717774010 /nfs/dbraw/zinc/77/40/10/717774010.db2.gz IIWYPJLJTHFVLJ-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000980799655 717774290 /nfs/dbraw/zinc/77/42/90/717774290.db2.gz JWGGJHCSEIEUST-YOEHRIQHSA-N 1 3 349.544 2.787 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756583 724471904 /nfs/dbraw/zinc/47/19/04/724471904.db2.gz XWMPSPAAYXSHFO-YJBOKZPZSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756583 724471906 /nfs/dbraw/zinc/47/19/06/724471906.db2.gz XWMPSPAAYXSHFO-YJBOKZPZSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992522 717827789 /nfs/dbraw/zinc/82/77/89/717827789.db2.gz BWSDALBDFVXGAI-IEBWSBKVSA-N 1 3 341.499 2.957 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903612 724473087 /nfs/dbraw/zinc/47/30/87/724473087.db2.gz BOVIBSPVYWXNQG-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903612 724473090 /nfs/dbraw/zinc/47/30/90/724473090.db2.gz BOVIBSPVYWXNQG-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903945 724473900 /nfs/dbraw/zinc/47/39/00/724473900.db2.gz IQXDMUMJIQBFSP-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029903945 724473905 /nfs/dbraw/zinc/47/39/05/724473905.db2.gz IQXDMUMJIQBFSP-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001029755223 724474380 /nfs/dbraw/zinc/47/43/80/724474380.db2.gz JZGIGNOCQOQIAD-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001029755223 724474381 /nfs/dbraw/zinc/47/43/81/724474381.db2.gz JZGIGNOCQOQIAD-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001029754983 724474586 /nfs/dbraw/zinc/47/45/86/724474586.db2.gz GVNRNXJGWLZMNO-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001029754983 724474588 /nfs/dbraw/zinc/47/45/88/724474588.db2.gz GVNRNXJGWLZMNO-KRWDZBQOSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCc2ccc(C)cc2)CC1)N(C)C ZINC000985491139 724479806 /nfs/dbraw/zinc/47/98/06/724479806.db2.gz BHICNDSIOONNAB-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCc2ccc(C)cc2)CC1)N(C)C ZINC000985491139 724479808 /nfs/dbraw/zinc/47/98/08/724479808.db2.gz BHICNDSIOONNAB-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024522421 717869811 /nfs/dbraw/zinc/86/98/11/717869811.db2.gz FVZPNXDMPMPISZ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001024522421 717869814 /nfs/dbraw/zinc/86/98/14/717869814.db2.gz FVZPNXDMPMPISZ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029759985 724480249 /nfs/dbraw/zinc/48/02/49/724480249.db2.gz DXKTWCBKHLOXDX-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029759985 724480251 /nfs/dbraw/zinc/48/02/51/724480251.db2.gz DXKTWCBKHLOXDX-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001029755630 724475312 /nfs/dbraw/zinc/47/53/12/724475312.db2.gz NFSSSDOJVNEMNA-QUCCMNQESA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001029755630 724475315 /nfs/dbraw/zinc/47/53/15/724475315.db2.gz NFSSSDOJVNEMNA-QUCCMNQESA-N 1 3 343.515 2.616 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904502 724475518 /nfs/dbraw/zinc/47/55/18/724475518.db2.gz XIMJYCCYUZGNIQ-LJQANCHMSA-N 1 3 347.478 2.532 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904502 724475520 /nfs/dbraw/zinc/47/55/20/724475520.db2.gz XIMJYCCYUZGNIQ-LJQANCHMSA-N 1 3 347.478 2.532 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904542 724476096 /nfs/dbraw/zinc/47/60/96/724476096.db2.gz YBBAXPQKWMOSIY-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904542 724476098 /nfs/dbraw/zinc/47/60/98/724476098.db2.gz YBBAXPQKWMOSIY-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904544 724476268 /nfs/dbraw/zinc/47/62/68/724476268.db2.gz YBBAXPQKWMOSIY-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904544 724476270 /nfs/dbraw/zinc/47/62/70/724476270.db2.gz YBBAXPQKWMOSIY-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001027891761 717890383 /nfs/dbraw/zinc/89/03/83/717890383.db2.gz GWFZNDSKNKVXJP-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001027891761 717890387 /nfs/dbraw/zinc/89/03/87/717890387.db2.gz GWFZNDSKNKVXJP-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905585 724478474 /nfs/dbraw/zinc/47/84/74/724478474.db2.gz PJMBGDOLXHXBAL-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905585 724478477 /nfs/dbraw/zinc/47/84/77/724478477.db2.gz PJMBGDOLXHXBAL-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905325 724478614 /nfs/dbraw/zinc/47/86/14/724478614.db2.gz LTKVZTLQXIAMDK-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905325 724478616 /nfs/dbraw/zinc/47/86/16/724478616.db2.gz LTKVZTLQXIAMDK-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024693003 718087222 /nfs/dbraw/zinc/08/72/22/718087222.db2.gz UWWKHYZBYFYMBB-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024693003 718087225 /nfs/dbraw/zinc/08/72/25/718087225.db2.gz UWWKHYZBYFYMBB-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027918245 718093903 /nfs/dbraw/zinc/09/39/03/718093903.db2.gz LDYCCFNIUAURHS-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027918245 718093906 /nfs/dbraw/zinc/09/39/06/718093906.db2.gz LDYCCFNIUAURHS-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1)[NH+](C)C ZINC001029761241 724481646 /nfs/dbraw/zinc/48/16/46/724481646.db2.gz OELPMQKZKMIFCI-APWZRJJASA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029760993 724483730 /nfs/dbraw/zinc/48/37/30/724483730.db2.gz IKZIZMQRYHYGPO-AEFFLSMTSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001029760993 724483734 /nfs/dbraw/zinc/48/37/34/724483734.db2.gz IKZIZMQRYHYGPO-AEFFLSMTSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001024759173 718142995 /nfs/dbraw/zinc/14/29/95/718142995.db2.gz FNHCQLWBXUDQGX-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@H](C)N2CCCC[C@H]2C)cc1 ZINC000066243093 718160552 /nfs/dbraw/zinc/16/05/52/718160552.db2.gz ZGBQMFPLMDUUGX-CVEARBPZSA-N 1 3 332.492 2.615 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2csc(C)c2)CC1)N(C)C ZINC000985495809 724486245 /nfs/dbraw/zinc/48/62/45/724486245.db2.gz KSXKSIUMXTTWIG-QGZVFWFLSA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2csc(C)c2)CC1)N(C)C ZINC000985495809 724486249 /nfs/dbraw/zinc/48/62/49/724486249.db2.gz KSXKSIUMXTTWIG-QGZVFWFLSA-N 1 3 337.533 2.820 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001024802049 718169098 /nfs/dbraw/zinc/16/90/98/718169098.db2.gz RTMSAOFPSZNNEL-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001024802049 718169102 /nfs/dbraw/zinc/16/91/02/718169102.db2.gz RTMSAOFPSZNNEL-PMACEKPBSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001024902233 718213501 /nfs/dbraw/zinc/21/35/01/718213501.db2.gz LLUBWNPAUHKWOH-MOPGFXCFSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@@H+]1CCCF ZINC000947308846 718225942 /nfs/dbraw/zinc/22/59/42/718225942.db2.gz AOEMULSSESZGHB-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@H+]1CCCF ZINC000947308846 718225945 /nfs/dbraw/zinc/22/59/45/718225945.db2.gz AOEMULSSESZGHB-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001024982126 718247524 /nfs/dbraw/zinc/24/75/24/718247524.db2.gz FSLXVIWEXQHAKU-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)C2CCC2)cc1 ZINC001024982799 718248213 /nfs/dbraw/zinc/24/82/13/718248213.db2.gz CZPFJZCQKCULCK-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCCC[C@@H]1CNCc1ccccc1F)C1CC1 ZINC001024983822 718248664 /nfs/dbraw/zinc/24/86/64/718248664.db2.gz BUSAICVIGMNMLG-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC001024983795 718248834 /nfs/dbraw/zinc/24/88/34/718248834.db2.gz ZPUIEWBSMXGNRG-LJQANCHMSA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001024985374 718249558 /nfs/dbraw/zinc/24/95/58/718249558.db2.gz OEURTGGJFBEWOU-MOPGFXCFSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001024985627 718249757 /nfs/dbraw/zinc/24/97/57/718249757.db2.gz RFPLSOGLPDXIJJ-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001024985814 718249906 /nfs/dbraw/zinc/24/99/06/718249906.db2.gz STTDETRQJZEPNK-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001024986630 718250280 /nfs/dbraw/zinc/25/02/80/718250280.db2.gz YQVSNGIWXRIODO-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001024991471 718250673 /nfs/dbraw/zinc/25/06/73/718250673.db2.gz DJGVDKBRJWQYQR-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001024992728 718253079 /nfs/dbraw/zinc/25/30/79/718253079.db2.gz VTYBNSDFRZADML-MOPGFXCFSA-N 1 3 331.504 2.744 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029910295 724497369 /nfs/dbraw/zinc/49/73/69/724497369.db2.gz DIBSZKMMDXUNCT-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029910295 724497371 /nfs/dbraw/zinc/49/73/71/724497371.db2.gz DIBSZKMMDXUNCT-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892612766 718341456 /nfs/dbraw/zinc/34/14/56/718341456.db2.gz DMRJTFQKDSNYGW-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1CNCc1ccccc1F)[NH+](C)C ZINC001025073678 718341914 /nfs/dbraw/zinc/34/19/14/718341914.db2.gz POGCBSIKVIHTBU-IEBWSBKVSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001025085067 718349639 /nfs/dbraw/zinc/34/96/39/718349639.db2.gz KWRRORNEYFEVDK-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)cs1 ZINC001025084790 718350159 /nfs/dbraw/zinc/35/01/59/718350159.db2.gz HMKGXYPKANGMOE-MAUKXSAKSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001025084756 718350187 /nfs/dbraw/zinc/35/01/87/718350187.db2.gz GTKCLCAEFSQNLO-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025084722 718350292 /nfs/dbraw/zinc/35/02/92/718350292.db2.gz FVNGTYQSQKEBNM-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025084722 718350293 /nfs/dbraw/zinc/35/02/93/718350293.db2.gz FVNGTYQSQKEBNM-SJLPKXTDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001025085989 718350876 /nfs/dbraw/zinc/35/08/76/718350876.db2.gz YVXBCIZOMGYWFB-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001025098362 718358079 /nfs/dbraw/zinc/35/80/79/718358079.db2.gz PYSPZLVUQVULHG-FUHWJXTLSA-N 1 3 340.471 2.993 20 0 EFADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001007341751 718370081 /nfs/dbraw/zinc/37/00/81/718370081.db2.gz BHULGPFIKQAPIL-SJORKVTESA-N 1 3 339.499 2.581 20 0 EFADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001007341751 718370082 /nfs/dbraw/zinc/37/00/82/718370082.db2.gz BHULGPFIKQAPIL-SJORKVTESA-N 1 3 339.499 2.581 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCF ZINC001025247171 718467187 /nfs/dbraw/zinc/46/71/87/718467187.db2.gz JCYAAVKXWUCIBM-MSOLQXFVSA-N 1 3 344.434 2.763 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCF ZINC001025247171 718467188 /nfs/dbraw/zinc/46/71/88/718467188.db2.gz JCYAAVKXWUCIBM-MSOLQXFVSA-N 1 3 344.434 2.763 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981283642 718597755 /nfs/dbraw/zinc/59/77/55/718597755.db2.gz ZHHHBUSKBROWTH-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981283642 718597757 /nfs/dbraw/zinc/59/77/57/718597757.db2.gz ZHHHBUSKBROWTH-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000981369385 718668556 /nfs/dbraw/zinc/66/85/56/718668556.db2.gz JQPIMRSWVUZGAQ-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000981369385 718668558 /nfs/dbraw/zinc/66/85/58/718668558.db2.gz JQPIMRSWVUZGAQ-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981370136 718669008 /nfs/dbraw/zinc/66/90/08/718669008.db2.gz WTPQBXARSYYURG-LJQANCHMSA-N 1 3 333.520 2.896 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981370136 718669009 /nfs/dbraw/zinc/66/90/09/718669009.db2.gz WTPQBXARSYYURG-LJQANCHMSA-N 1 3 333.520 2.896 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001028088231 718673171 /nfs/dbraw/zinc/67/31/71/718673171.db2.gz GQSNKVBFDRQPRH-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC001028088231 718673173 /nfs/dbraw/zinc/67/31/73/718673173.db2.gz GQSNKVBFDRQPRH-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(NC[C@@H]1CCCN1CCCF)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028094319 718726021 /nfs/dbraw/zinc/72/60/21/718726021.db2.gz XHMZUCTXGAWUED-ROUUACIJSA-N 1 3 339.499 2.724 20 0 EFADHO O=C(NC[C@@H]1CCCN1CCCF)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028094319 718726022 /nfs/dbraw/zinc/72/60/22/718726022.db2.gz XHMZUCTXGAWUED-ROUUACIJSA-N 1 3 339.499 2.724 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000981484885 718753558 /nfs/dbraw/zinc/75/35/58/718753558.db2.gz CKVBXKVSMKOYBA-IAGOWNOFSA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000981486246 718754667 /nfs/dbraw/zinc/75/46/67/718754667.db2.gz NAZVRICUDWQNAZ-QZTJIDSGSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000981486204 718754992 /nfs/dbraw/zinc/75/49/92/718754992.db2.gz MPRRETQEQRZFEL-CABCVRRESA-N 1 3 346.500 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000981488211 718755838 /nfs/dbraw/zinc/75/58/38/718755838.db2.gz VCOXFWZSJIZCEH-IRXDYDNUSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000981489028 718757003 /nfs/dbraw/zinc/75/70/03/718757003.db2.gz YJTBAUIPSHIAGS-HOTGVXAUSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC001028098708 718782296 /nfs/dbraw/zinc/78/22/96/718782296.db2.gz VARXMESRVGHIHR-WBAXXEDZSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC001028098708 718782299 /nfs/dbraw/zinc/78/22/99/718782299.db2.gz VARXMESRVGHIHR-WBAXXEDZSA-N 1 3 349.544 2.867 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC3)C2)c1 ZINC000981536315 718795397 /nfs/dbraw/zinc/79/53/97/718795397.db2.gz AVFFNAXKSGWMKM-OALUTQOASA-N 1 3 329.488 2.789 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001025467939 718942264 /nfs/dbraw/zinc/94/22/64/718942264.db2.gz GLZHBLJMIBRARM-NJEVBOHQSA-N 1 3 339.911 2.584 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001028118063 718970565 /nfs/dbraw/zinc/97/05/65/718970565.db2.gz WAJDTLLKWUOZBQ-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1)N1CCCC1 ZINC000981742954 718994906 /nfs/dbraw/zinc/99/49/06/718994906.db2.gz NFYHCUJZJXPNEV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1)N1CCCC1 ZINC000981742954 718994910 /nfs/dbraw/zinc/99/49/10/718994910.db2.gz NFYHCUJZJXPNEV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)N1CCCCC1 ZINC000981768805 719028346 /nfs/dbraw/zinc/02/83/46/719028346.db2.gz SPXNBQKQOBBOBL-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)N1CCCCC1 ZINC000981768805 719028349 /nfs/dbraw/zinc/02/83/49/719028349.db2.gz SPXNBQKQOBBOBL-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCC(C)(C)C)C3)CCC1 ZINC000981811927 719071661 /nfs/dbraw/zinc/07/16/61/719071661.db2.gz BTMMYXULDRBWMA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCC(C)(C)C)C3)CCC1 ZINC000981811927 719071664 /nfs/dbraw/zinc/07/16/64/719071664.db2.gz BTMMYXULDRBWMA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2)C1CC1 ZINC000981811930 719071729 /nfs/dbraw/zinc/07/17/29/719071729.db2.gz BVTWRVZHMIQZRI-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2)C1CC1 ZINC000981811930 719071735 /nfs/dbraw/zinc/07/17/35/719071735.db2.gz BVTWRVZHMIQZRI-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2)C1CC1 ZINC000981811916 719071810 /nfs/dbraw/zinc/07/18/10/719071810.db2.gz BLPGWUPCPGHQLY-QGZVFWFLSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CC2CC(C)(C)C2)C3)CCC1 ZINC000981812451 719072679 /nfs/dbraw/zinc/07/26/79/719072679.db2.gz OJMCBBNQBQETKU-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CC2CC(C)(C)C2)C3)CCC1 ZINC000981812451 719072681 /nfs/dbraw/zinc/07/26/81/719072681.db2.gz OJMCBBNQBQETKU-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)C1CCC1 ZINC000981815841 719078507 /nfs/dbraw/zinc/07/85/07/719078507.db2.gz DGDUFVKODDPTPI-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)C1CCC1 ZINC000981815841 719078510 /nfs/dbraw/zinc/07/85/10/719078510.db2.gz DGDUFVKODDPTPI-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000981816201 719079295 /nfs/dbraw/zinc/07/92/95/719079295.db2.gz QGEZPBIUFCZMDX-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000981816201 719079296 /nfs/dbraw/zinc/07/92/96/719079296.db2.gz QGEZPBIUFCZMDX-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816163 719079337 /nfs/dbraw/zinc/07/93/37/719079337.db2.gz OMBFWMDYIIOZRA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000981816163 719079342 /nfs/dbraw/zinc/07/93/42/719079342.db2.gz OMBFWMDYIIOZRA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2)N(C)C ZINC000981841580 719111067 /nfs/dbraw/zinc/11/10/67/719111067.db2.gz GRXJHARLYXUVBP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2)N(C)C ZINC000981841580 719111068 /nfs/dbraw/zinc/11/10/68/719111068.db2.gz GRXJHARLYXUVBP-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CC2(C1)CCCN(C/C=C/Cl)C2 ZINC000981871850 719148244 /nfs/dbraw/zinc/14/82/44/719148244.db2.gz GATXZKXAJVBURX-GORDUTHDSA-N 1 3 344.846 2.625 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872761 719149092 /nfs/dbraw/zinc/14/90/92/719149092.db2.gz VQODGYCTPYHKEP-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1)N(C)C ZINC000981898099 719178061 /nfs/dbraw/zinc/17/80/61/719178061.db2.gz GQOYXKKHHGWNKR-CTWPCTMYSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1)N(C)C ZINC000981898099 719178063 /nfs/dbraw/zinc/17/80/63/719178063.db2.gz GQOYXKKHHGWNKR-CTWPCTMYSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001025627703 719248467 /nfs/dbraw/zinc/24/84/67/719248467.db2.gz LBALXKCHOPNMJE-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025627703 719248470 /nfs/dbraw/zinc/24/84/70/719248470.db2.gz LBALXKCHOPNMJE-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627306 719250993 /nfs/dbraw/zinc/25/09/93/719250993.db2.gz INGYTXJGEIDPMJ-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627306 719250995 /nfs/dbraw/zinc/25/09/95/719250995.db2.gz INGYTXJGEIDPMJ-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025779017 719313149 /nfs/dbraw/zinc/31/31/49/719313149.db2.gz OQKVZEBXGFGSSQ-MVBLQPKNSA-N 1 3 341.499 2.667 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025779017 719313151 /nfs/dbraw/zinc/31/31/51/719313151.db2.gz OQKVZEBXGFGSSQ-MVBLQPKNSA-N 1 3 341.499 2.667 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025808912 719322355 /nfs/dbraw/zinc/32/23/55/719322355.db2.gz ZTHNFHOYNKUUME-LFAQGZIKSA-N 1 3 341.499 2.668 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025808912 719322358 /nfs/dbraw/zinc/32/23/58/719322358.db2.gz ZTHNFHOYNKUUME-LFAQGZIKSA-N 1 3 341.499 2.668 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019774792 719383014 /nfs/dbraw/zinc/38/30/14/719383014.db2.gz IPFAGUBANTZAIH-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc2c(c1)CCC2 ZINC001019774924 719383065 /nfs/dbraw/zinc/38/30/65/719383065.db2.gz NOFOKTSRGWHKNT-UZLBHIALSA-N 1 3 341.499 2.523 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000982012068 719435335 /nfs/dbraw/zinc/43/53/35/719435335.db2.gz NQIGVOCRWYSPCD-INIZCTEOSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000982012068 719435338 /nfs/dbraw/zinc/43/53/38/719435338.db2.gz NQIGVOCRWYSPCD-INIZCTEOSA-N 1 3 347.528 2.657 20 0 EFADHO CCC[N@@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013235 719436632 /nfs/dbraw/zinc/43/66/32/719436632.db2.gz OWBFXJMGERCOPY-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CCCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013235 719436635 /nfs/dbraw/zinc/43/66/35/719436635.db2.gz OWBFXJMGERCOPY-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@@H+]1CCCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013234 719436834 /nfs/dbraw/zinc/43/68/34/719436834.db2.gz OWBFXJMGERCOPY-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CCCC2(CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000982013234 719436836 /nfs/dbraw/zinc/43/68/36/719436836.db2.gz OWBFXJMGERCOPY-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC3(CCC3)C1)C2)N(C)C ZINC000982019492 719448448 /nfs/dbraw/zinc/44/84/48/719448448.db2.gz XMWAUYFKVPXHLK-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC3(CCC3)C1)C2)N(C)C ZINC000982019492 719448454 /nfs/dbraw/zinc/44/84/54/719448454.db2.gz XMWAUYFKVPXHLK-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC000982036462 719489729 /nfs/dbraw/zinc/48/97/29/719489729.db2.gz HIHVHEFTDDLMSM-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000982036462 719489735 /nfs/dbraw/zinc/48/97/35/719489735.db2.gz HIHVHEFTDDLMSM-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339644 719513407 /nfs/dbraw/zinc/51/34/07/719513407.db2.gz JAIKCAXLLKPVRM-ROUUACIJSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339644 719513410 /nfs/dbraw/zinc/51/34/10/719513410.db2.gz JAIKCAXLLKPVRM-ROUUACIJSA-N 1 3 335.536 2.591 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCCN(CCc3cccs3)CC2)CC1 ZINC000982086088 719528579 /nfs/dbraw/zinc/52/85/79/719528579.db2.gz GGGVRYDFVRUKGI-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038342335 719564787 /nfs/dbraw/zinc/56/47/87/719564787.db2.gz VXOYOIBZTOEYEB-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038342335 719564789 /nfs/dbraw/zinc/56/47/89/719564789.db2.gz VXOYOIBZTOEYEB-RTBURBONSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343234 719589458 /nfs/dbraw/zinc/58/94/58/719589458.db2.gz YIRFYCJPXBQPOB-RBUKOAKNSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343234 719589461 /nfs/dbraw/zinc/58/94/61/719589461.db2.gz YIRFYCJPXBQPOB-RBUKOAKNSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000261544332 719610836 /nfs/dbraw/zinc/61/08/36/719610836.db2.gz DSOAKMOMISCDTM-KRWDZBQOSA-N 1 3 331.504 2.922 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CCC[N@H+](CCCF)C3)c1 ZINC000982160445 719618814 /nfs/dbraw/zinc/61/88/14/719618814.db2.gz YJGQUTXSQORUHD-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CCC[N@@H+](CCCF)C3)c1 ZINC000982160445 719618819 /nfs/dbraw/zinc/61/88/19/719618819.db2.gz YJGQUTXSQORUHD-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043333 719672953 /nfs/dbraw/zinc/67/29/53/719672953.db2.gz KOCBJDCUHWDEHV-DBCWFSNCSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043333 719672954 /nfs/dbraw/zinc/67/29/54/719672954.db2.gz KOCBJDCUHWDEHV-DBCWFSNCSA-N 1 3 341.499 2.526 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000261589533 719688681 /nfs/dbraw/zinc/68/86/81/719688681.db2.gz WIBAGIWUCRIYCZ-QGZVFWFLSA-N 1 3 339.483 2.699 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000261589532 719688890 /nfs/dbraw/zinc/68/88/90/719688890.db2.gz WIBAGIWUCRIYCZ-KRWDZBQOSA-N 1 3 339.483 2.699 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982276131 719775229 /nfs/dbraw/zinc/77/52/29/719775229.db2.gz NKPUTOSBOCKAMO-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982276131 719775233 /nfs/dbraw/zinc/77/52/33/719775233.db2.gz NKPUTOSBOCKAMO-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001026138946 719787015 /nfs/dbraw/zinc/78/70/15/719787015.db2.gz LEYWHCXXDKOXJG-GFEQUFNTSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]21 ZINC001026138946 719787016 /nfs/dbraw/zinc/78/70/16/719787016.db2.gz LEYWHCXXDKOXJG-GFEQUFNTSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001026142780 719793966 /nfs/dbraw/zinc/79/39/66/719793966.db2.gz GWUVXTOEGCRAIG-UTTMJGGOSA-N 1 3 344.503 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCC[C@H](C)C3)C[C@H]21 ZINC001026142780 719793970 /nfs/dbraw/zinc/79/39/70/719793970.db2.gz GWUVXTOEGCRAIG-UTTMJGGOSA-N 1 3 344.503 2.523 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148350 719802090 /nfs/dbraw/zinc/80/20/90/719802090.db2.gz BAOFLFDNOGKSKO-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001026148350 719802097 /nfs/dbraw/zinc/80/20/97/719802097.db2.gz BAOFLFDNOGKSKO-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982292515 719822500 /nfs/dbraw/zinc/82/25/00/719822500.db2.gz MUPPOGHWSKDXIG-NRSPTQNISA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982292515 719822506 /nfs/dbraw/zinc/82/25/06/719822506.db2.gz MUPPOGHWSKDXIG-NRSPTQNISA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982292803 719823741 /nfs/dbraw/zinc/82/37/41/719823741.db2.gz YHGQVRIAEPLKKU-SESVDKBCSA-N 1 3 347.547 2.997 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982292803 719823749 /nfs/dbraw/zinc/82/37/49/719823749.db2.gz YHGQVRIAEPLKKU-SESVDKBCSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261639704 719828579 /nfs/dbraw/zinc/82/85/79/719828579.db2.gz INGOUARDLNFZHE-HNNXBMFYSA-N 1 3 330.259 2.993 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295928 719837236 /nfs/dbraw/zinc/83/72/36/719837236.db2.gz GGFRZMZCWDMKBX-QOJCHSLYSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295928 719837243 /nfs/dbraw/zinc/83/72/43/719837243.db2.gz GGFRZMZCWDMKBX-QOJCHSLYSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCC(C)(C)C)C[C@]2(C)C1)C1CC1 ZINC000982296151 719838986 /nfs/dbraw/zinc/83/89/86/719838986.db2.gz LCCREAXWGNOBEU-DZFGPLHGSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC(C)(C)C)C[C@]2(C)C1)C1CC1 ZINC000982296151 719838994 /nfs/dbraw/zinc/83/89/94/719838994.db2.gz LCCREAXWGNOBEU-DZFGPLHGSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000982306218 719873432 /nfs/dbraw/zinc/87/34/32/719873432.db2.gz NSIPRSLMIPNJIF-NRSPTQNISA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000982306218 719873438 /nfs/dbraw/zinc/87/34/38/719873438.db2.gz NSIPRSLMIPNJIF-NRSPTQNISA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CC3)[C@@H]2C1)N1CCCCC1 ZINC001026268046 720080479 /nfs/dbraw/zinc/08/04/79/720080479.db2.gz VCXXPXTZQAPSLK-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001026267893 720080530 /nfs/dbraw/zinc/08/05/30/720080530.db2.gz RWVNGBHZTGOQPK-RCCFBDPRSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354552 724649584 /nfs/dbraw/zinc/64/95/84/724649584.db2.gz KGRIRIKZEQNZFV-KDOFPFPSSA-N 1 3 349.906 2.903 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCCC4)[C@@H]3C2)CCC1 ZINC001026281881 720120940 /nfs/dbraw/zinc/12/09/40/720120940.db2.gz KAEUBYXYVSQYNK-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986356031 724650091 /nfs/dbraw/zinc/65/00/91/724650091.db2.gz NYMFEPMXSPPQLD-DNVCBOLYSA-N 1 3 347.478 2.697 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986357711 724650964 /nfs/dbraw/zinc/65/09/64/724650964.db2.gz URHWQGJXYLAWPW-JXFKEZNVSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1C ZINC000986358049 724651438 /nfs/dbraw/zinc/65/14/38/724651438.db2.gz WBCDDSAXPCCFGF-XLIONFOSSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC000986358591 724651630 /nfs/dbraw/zinc/65/16/30/724651630.db2.gz ZRZPKWRVVXUQMP-VQIMIIECSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986351010 724659144 /nfs/dbraw/zinc/65/91/44/724659144.db2.gz BWMHXYOICHWNSZ-LPHOPBHVSA-N 1 3 329.488 2.558 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986350833 724659184 /nfs/dbraw/zinc/65/91/84/724659184.db2.gz AHHOVEFIXYRYCG-UZLBHIALSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986351591 724659800 /nfs/dbraw/zinc/65/98/00/724659800.db2.gz DAQOZDYDVJOOBZ-BEFAXECRSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@@H]1CN(Cc2cccc3c2NCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000894076998 720270491 /nfs/dbraw/zinc/27/04/91/720270491.db2.gz SHPVHNOAYJXJQL-YLJYHZDGSA-N 1 3 342.531 2.503 20 0 EFADHO C[C@@H]1CN(Cc2cccc3c2NCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894076997 720270674 /nfs/dbraw/zinc/27/06/74/720270674.db2.gz SHPVHNOAYJXJQL-XLIONFOSSA-N 1 3 342.531 2.503 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316426 720345955 /nfs/dbraw/zinc/34/59/55/720345955.db2.gz POAPINZXSBXSEB-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C3CC3)cc2)C1 ZINC001028316426 720345958 /nfs/dbraw/zinc/34/59/58/720345958.db2.gz POAPINZXSBXSEB-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC1 ZINC001028333747 720378595 /nfs/dbraw/zinc/37/85/95/720378595.db2.gz QGOLFQJCVAETFM-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001028333747 720378601 /nfs/dbraw/zinc/37/86/01/720378601.db2.gz QGOLFQJCVAETFM-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCC1 ZINC001028333746 720378849 /nfs/dbraw/zinc/37/88/49/720378849.db2.gz QGOLFQJCVAETFM-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001028333746 720378855 /nfs/dbraw/zinc/37/88/55/720378855.db2.gz QGOLFQJCVAETFM-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)CC1 ZINC001039963029 720392327 /nfs/dbraw/zinc/39/23/27/720392327.db2.gz GPOSDRRMTMEVSK-KDURUIRLSA-N 1 3 333.520 2.582 20 0 EFADHO c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164727941 720411621 /nfs/dbraw/zinc/41/16/21/720411621.db2.gz FIKCJVLTGWTYAW-VQTJNVASSA-N 1 3 349.482 2.930 20 0 EFADHO CN(C)Cc1ccnc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)c1 ZINC001164734401 720547875 /nfs/dbraw/zinc/54/78/75/720547875.db2.gz IBKDGJRKCPYWFW-KRWDZBQOSA-N 1 3 346.519 2.659 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839697 724688069 /nfs/dbraw/zinc/68/80/69/724688069.db2.gz GUEVSGMNIWGVEB-PKOBYXMFSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839697 724688071 /nfs/dbraw/zinc/68/80/71/724688071.db2.gz GUEVSGMNIWGVEB-PKOBYXMFSA-N 1 3 333.520 2.609 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001029839641 724688940 /nfs/dbraw/zinc/68/89/40/724688940.db2.gz FTXRFHUQYHPZPY-IEBWSBKVSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001029839641 724688941 /nfs/dbraw/zinc/68/89/41/724688941.db2.gz FTXRFHUQYHPZPY-IEBWSBKVSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001029840167 724690254 /nfs/dbraw/zinc/69/02/54/724690254.db2.gz SGOHQBKOVYLDDV-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001029840167 724690257 /nfs/dbraw/zinc/69/02/57/724690257.db2.gz SGOHQBKOVYLDDV-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001029841453 724691104 /nfs/dbraw/zinc/69/11/04/724691104.db2.gz IFLLHUXBCWMTNH-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001029841453 724691105 /nfs/dbraw/zinc/69/11/05/724691105.db2.gz IFLLHUXBCWMTNH-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC001008407121 720606073 /nfs/dbraw/zinc/60/60/73/720606073.db2.gz QIMXLURTRZPLKJ-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@@H+](Cc1ccsc1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841251 724692031 /nfs/dbraw/zinc/69/20/31/724692031.db2.gz HMSSKSBUNIJSEH-MRXNPFEDSA-N 1 3 349.544 2.760 20 0 EFADHO C[N@H+](Cc1ccsc1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029841251 724692035 /nfs/dbraw/zinc/69/20/35/724692035.db2.gz HMSSKSBUNIJSEH-MRXNPFEDSA-N 1 3 349.544 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029843031 724698062 /nfs/dbraw/zinc/69/80/62/724698062.db2.gz BABMZGRJWWYESZ-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC001029843031 724698063 /nfs/dbraw/zinc/69/80/63/724698063.db2.gz BABMZGRJWWYESZ-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001029842931 724698241 /nfs/dbraw/zinc/69/82/41/724698241.db2.gz ZDYSNKDKGXPXFD-IAGOWNOFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](CN(C)Cc2ccccc2F)C1 ZINC001029842931 724698243 /nfs/dbraw/zinc/69/82/43/724698243.db2.gz ZDYSNKDKGXPXFD-IAGOWNOFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026560649 720747813 /nfs/dbraw/zinc/74/78/13/720747813.db2.gz AHDRBWDQUPCOID-IVMQYODDSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001026560721 720747931 /nfs/dbraw/zinc/74/79/31/720747931.db2.gz COSNWWLWKKVFKE-MNNVXMFVSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccc(F)cc3)CC2)C1 ZINC001026560955 720748990 /nfs/dbraw/zinc/74/89/90/720748990.db2.gz LBHXRPLCPHDFMR-VNCLNFNDSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001026561297 720749299 /nfs/dbraw/zinc/74/92/99/720749299.db2.gz VASLRNCFENMOMT-QHGAOEGBSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC3=CCCCC3)CC2)C1 ZINC001026561277 720749509 /nfs/dbraw/zinc/74/95/09/720749509.db2.gz UGVKCOCYGSEOCB-IPJUCJBFSA-N 1 3 333.520 2.846 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCc2cccs2)CC1 ZINC001026598621 720798083 /nfs/dbraw/zinc/79/80/83/720798083.db2.gz QECUXHWTIALZHZ-UHFFFAOYSA-N 1 3 346.500 2.582 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553445 720817036 /nfs/dbraw/zinc/81/70/36/720817036.db2.gz LJOSYICLUSNNTR-LFGUQSLTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553445 720817041 /nfs/dbraw/zinc/81/70/41/720817041.db2.gz LJOSYICLUSNNTR-LFGUQSLTSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)CN4CC[C@H](C)C4)C[C@@]3(C)C2)C1 ZINC000982553826 720821490 /nfs/dbraw/zinc/82/14/90/720821490.db2.gz QSISRETYDSGBGD-NMPVUYPVSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)CN4CC[C@H](C)C4)C[C@@]3(C)C2)C1 ZINC000982553826 720821494 /nfs/dbraw/zinc/82/14/94/720821494.db2.gz QSISRETYDSGBGD-NMPVUYPVSA-N 1 3 347.547 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982560067 720834399 /nfs/dbraw/zinc/83/43/99/720834399.db2.gz CSSBIKYMUDQANX-IDYIGWAMSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982560067 720834403 /nfs/dbraw/zinc/83/44/03/720834403.db2.gz CSSBIKYMUDQANX-IDYIGWAMSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510463 720852687 /nfs/dbraw/zinc/85/26/87/720852687.db2.gz REAMTZZMOPKCPQ-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001008510463 720852697 /nfs/dbraw/zinc/85/26/97/720852697.db2.gz REAMTZZMOPKCPQ-VQIMIIECSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982622660 720958140 /nfs/dbraw/zinc/95/81/40/720958140.db2.gz AOJVBCMTVHZVOF-RLLQIKCJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982622660 720958143 /nfs/dbraw/zinc/95/81/43/720958143.db2.gz AOJVBCMTVHZVOF-RLLQIKCJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982622663 720958456 /nfs/dbraw/zinc/95/84/56/720958456.db2.gz AOJVBCMTVHZVOF-YSIASYRMSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982622663 720958457 /nfs/dbraw/zinc/95/84/57/720958457.db2.gz AOJVBCMTVHZVOF-YSIASYRMSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028537536 720987522 /nfs/dbraw/zinc/98/75/22/720987522.db2.gz NABIZRDGRMTPAX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028537536 720987524 /nfs/dbraw/zinc/98/75/24/720987524.db2.gz NABIZRDGRMTPAX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001028537796 720987910 /nfs/dbraw/zinc/98/79/10/720987910.db2.gz SDTXORAZYTVSNT-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001028537796 720987914 /nfs/dbraw/zinc/98/79/14/720987914.db2.gz SDTXORAZYTVSNT-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001029947940 724727640 /nfs/dbraw/zinc/72/76/40/724727640.db2.gz YOVAWMBROOWHFW-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001029947940 724727641 /nfs/dbraw/zinc/72/76/41/724727641.db2.gz YOVAWMBROOWHFW-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC000158699683 721096305 /nfs/dbraw/zinc/09/63/05/721096305.db2.gz WXGHHHZPBBOYQH-SFHVURJKSA-N 1 3 331.504 2.540 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580410 721110119 /nfs/dbraw/zinc/11/01/19/721110119.db2.gz VVSSUAIGOXJLIH-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028580410 721110122 /nfs/dbraw/zinc/11/01/22/721110122.db2.gz VVSSUAIGOXJLIH-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608168 721204655 /nfs/dbraw/zinc/20/46/55/721204655.db2.gz WFBJUGJZUFXLER-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974608168 721204656 /nfs/dbraw/zinc/20/46/56/721204656.db2.gz WFBJUGJZUFXLER-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683952 721284775 /nfs/dbraw/zinc/28/47/75/721284775.db2.gz QPQXGUMLWVGNCJ-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)C(C)(C)C1 ZINC000974683952 721284778 /nfs/dbraw/zinc/28/47/78/721284778.db2.gz QPQXGUMLWVGNCJ-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC1(C)C[N@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000974685105 721287393 /nfs/dbraw/zinc/28/73/93/721287393.db2.gz TWJKQGKNRMCBQF-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CC1(C)C[N@@H+](CC2CC2)C[C@H]1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000974685105 721287395 /nfs/dbraw/zinc/28/73/95/721287395.db2.gz TWJKQGKNRMCBQF-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026884591 721292959 /nfs/dbraw/zinc/29/29/59/721292959.db2.gz ADGVNLSZFSXOSH-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001026889708 721299058 /nfs/dbraw/zinc/29/90/58/721299058.db2.gz ZYHOKMLFINOTFZ-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832364 721302931 /nfs/dbraw/zinc/30/29/31/721302931.db2.gz XBZOQWKGGHUPQV-IDPBPBMLSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982832364 721302934 /nfs/dbraw/zinc/30/29/34/721302934.db2.gz XBZOQWKGGHUPQV-IDPBPBMLSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886394 721305375 /nfs/dbraw/zinc/30/53/75/721305375.db2.gz VXTBNWMAXSSFEU-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832079 721305718 /nfs/dbraw/zinc/30/57/18/721305718.db2.gz UHWKIPPNHRYOTC-LFGUQSLTSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982832079 721305721 /nfs/dbraw/zinc/30/57/21/721305721.db2.gz UHWKIPPNHRYOTC-LFGUQSLTSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832080 721305731 /nfs/dbraw/zinc/30/57/31/721305731.db2.gz UHWKIPPNHRYOTC-QGZVKYPTSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832080 721305736 /nfs/dbraw/zinc/30/57/36/721305736.db2.gz UHWKIPPNHRYOTC-QGZVKYPTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001026887521 721307039 /nfs/dbraw/zinc/30/70/39/721307039.db2.gz QLEQXLJLRLVSST-QAPCUYQASA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1)C1CC1 ZINC001026888313 721308763 /nfs/dbraw/zinc/30/87/63/721308763.db2.gz CVXPNADFUDJVBJ-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894225500 721309239 /nfs/dbraw/zinc/30/92/39/721309239.db2.gz CIPLIZYGHMIFSG-WTGUMLROSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894225500 721309244 /nfs/dbraw/zinc/30/92/44/721309244.db2.gz CIPLIZYGHMIFSG-WTGUMLROSA-N 1 3 332.488 2.681 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901916 721313001 /nfs/dbraw/zinc/31/30/01/721313001.db2.gz VYCUFYNLXPPSFE-XLIONFOSSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001026901920 721313037 /nfs/dbraw/zinc/31/30/37/721313037.db2.gz VZFHAZJMLPSHAI-OALUTQOASA-N 1 3 331.504 2.519 20 0 EFADHO C[N@H+](Cc1ccsc1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645677 724750118 /nfs/dbraw/zinc/75/01/18/724750118.db2.gz BQLNCYJHRAXEEM-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO C[N@@H+](Cc1ccsc1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985645677 724750121 /nfs/dbraw/zinc/75/01/21/724750121.db2.gz BQLNCYJHRAXEEM-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645737 724750568 /nfs/dbraw/zinc/75/05/68/724750568.db2.gz CZOVWGRFQFODTQ-SFHVURJKSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985645737 724750569 /nfs/dbraw/zinc/75/05/69/724750569.db2.gz CZOVWGRFQFODTQ-SFHVURJKSA-N 1 3 327.488 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000985645724 724750638 /nfs/dbraw/zinc/75/06/38/724750638.db2.gz CSGOASUOTAEFRB-KRWDZBQOSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000985645724 724750640 /nfs/dbraw/zinc/75/06/40/724750640.db2.gz CSGOASUOTAEFRB-KRWDZBQOSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000985646961 724752678 /nfs/dbraw/zinc/75/26/78/724752678.db2.gz MMWPZLHUBSFEOQ-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000985646961 724752681 /nfs/dbraw/zinc/75/26/81/724752681.db2.gz MMWPZLHUBSFEOQ-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001026916417 721343381 /nfs/dbraw/zinc/34/33/81/721343381.db2.gz HNUGEDMLLUHXKO-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001026917042 721344120 /nfs/dbraw/zinc/34/41/20/721344120.db2.gz UQPNPKDESKHAFT-WOJBJXKFSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCc2cccs2)CC1 ZINC000985647291 724753395 /nfs/dbraw/zinc/75/33/95/724753395.db2.gz OHMCKTCIPYTSBK-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1 ZINC000985647291 724753396 /nfs/dbraw/zinc/75/33/96/724753396.db2.gz OHMCKTCIPYTSBK-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC000985648682 724756635 /nfs/dbraw/zinc/75/66/35/724756635.db2.gz XQKYDYTUVVXIGF-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC000985648682 724756636 /nfs/dbraw/zinc/75/66/36/724756636.db2.gz XQKYDYTUVVXIGF-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCN(C)C1 ZINC000893395244 721374359 /nfs/dbraw/zinc/37/43/59/721374359.db2.gz MLOFTQQSMBTHSE-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974761269 721399650 /nfs/dbraw/zinc/39/96/50/721399650.db2.gz ULKYMDZSRFNTBC-ROUUACIJSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761269 721399653 /nfs/dbraw/zinc/39/96/53/721399653.db2.gz ULKYMDZSRFNTBC-ROUUACIJSA-N 1 3 335.536 2.900 20 0 EFADHO CC1(C)CN(CC2=CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000974765837 721412464 /nfs/dbraw/zinc/41/24/64/721412464.db2.gz FJOVYMSUTSXCQA-GOSISDBHSA-N 1 3 345.531 2.942 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974768246 721414472 /nfs/dbraw/zinc/41/44/72/721414472.db2.gz SAYPQXZIPZIKGA-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000974768246 721414475 /nfs/dbraw/zinc/41/44/75/721414475.db2.gz SAYPQXZIPZIKGA-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2)CC1)N(C)C ZINC000985654024 724762491 /nfs/dbraw/zinc/76/24/91/724762491.db2.gz YUSCYODSSHBTDD-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1)N(C)C ZINC000985654024 724762493 /nfs/dbraw/zinc/76/24/93/724762493.db2.gz YUSCYODSSHBTDD-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974861549 721483381 /nfs/dbraw/zinc/48/33/81/721483381.db2.gz HEHSPWXUSBMWDB-ROUUACIJSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029853068 724774827 /nfs/dbraw/zinc/77/48/27/724774827.db2.gz KRRBDLJIDQXENW-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029853068 724774830 /nfs/dbraw/zinc/77/48/30/724774830.db2.gz KRRBDLJIDQXENW-QGZVFWFLSA-N 1 3 340.471 2.550 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853052 724775061 /nfs/dbraw/zinc/77/50/61/724775061.db2.gz KMDGTJUCQFONFG-GJZGRUSLSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853052 724775065 /nfs/dbraw/zinc/77/50/65/724775065.db2.gz KMDGTJUCQFONFG-GJZGRUSLSA-N 1 3 344.434 2.633 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001029970424 724777347 /nfs/dbraw/zinc/77/73/47/724777347.db2.gz ZIDNCSHLTRHFRC-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001029970424 724777349 /nfs/dbraw/zinc/77/73/49/724777349.db2.gz ZIDNCSHLTRHFRC-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CCc1cccc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674752 724784149 /nfs/dbraw/zinc/78/41/49/724784149.db2.gz HCPJHXUDAVXOCS-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO CCc1cccc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674752 724784152 /nfs/dbraw/zinc/78/41/52/724784152.db2.gz HCPJHXUDAVXOCS-UHFFFAOYSA-N 1 3 340.471 2.638 20 0 EFADHO C[C@H](C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N1CCC(Cc2ccccc2)CC1 ZINC000261833726 721759125 /nfs/dbraw/zinc/75/91/25/721759125.db2.gz OKGNPGVBIMIIMY-SQGPQFPESA-N 1 3 343.515 2.525 20 0 EFADHO C[NH+]1CCC(CN[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000894264185 721786675 /nfs/dbraw/zinc/78/66/75/721786675.db2.gz VKQUDTIEOIWHNE-AWEZNQCLSA-N 1 3 343.240 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754744 721937143 /nfs/dbraw/zinc/93/71/43/721937143.db2.gz KVHFUQUWYDGIRL-FUHWJXTLSA-N 1 3 349.544 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754744 721937145 /nfs/dbraw/zinc/93/71/45/721937145.db2.gz KVHFUQUWYDGIRL-FUHWJXTLSA-N 1 3 349.544 2.808 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001028779016 721981839 /nfs/dbraw/zinc/98/18/39/721981839.db2.gz RRKKEKVKOMYZPS-OAHLLOKOSA-N 1 3 349.906 2.620 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410130 722042656 /nfs/dbraw/zinc/04/26/56/722042656.db2.gz PQYYMQMKVRJBHU-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410130 722042658 /nfs/dbraw/zinc/04/26/58/722042658.db2.gz PQYYMQMKVRJBHU-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410130 722042660 /nfs/dbraw/zinc/04/26/60/722042660.db2.gz PQYYMQMKVRJBHU-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001038410130 722042661 /nfs/dbraw/zinc/04/26/61/722042661.db2.gz PQYYMQMKVRJBHU-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001038410130 722042663 /nfs/dbraw/zinc/04/26/63/722042663.db2.gz PQYYMQMKVRJBHU-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028845148 722043477 /nfs/dbraw/zinc/04/34/77/722043477.db2.gz GXUITSIZBARTTE-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028845148 722043478 /nfs/dbraw/zinc/04/34/78/722043478.db2.gz GXUITSIZBARTTE-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003590 722061708 /nfs/dbraw/zinc/06/17/08/722061708.db2.gz WSBFBZNADGOKFA-YOEHRIQHSA-N 1 3 349.906 2.633 20 0 EFADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003590 722061711 /nfs/dbraw/zinc/06/17/11/722061711.db2.gz WSBFBZNADGOKFA-YOEHRIQHSA-N 1 3 349.906 2.633 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028919518 722096961 /nfs/dbraw/zinc/09/69/61/722096961.db2.gz ZCOZROOLYMEXEK-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028919518 722096962 /nfs/dbraw/zinc/09/69/62/722096962.db2.gz ZCOZROOLYMEXEK-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028919517 722097019 /nfs/dbraw/zinc/09/70/19/722097019.db2.gz ZCOZROOLYMEXEK-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028919517 722097020 /nfs/dbraw/zinc/09/70/20/722097020.db2.gz ZCOZROOLYMEXEK-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001028985062 722598784 /nfs/dbraw/zinc/59/87/84/722598784.db2.gz HQUDHRBIDCUVCT-DOTOQJQBSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001028985062 722598786 /nfs/dbraw/zinc/59/87/86/722598786.db2.gz HQUDHRBIDCUVCT-DOTOQJQBSA-N 1 3 349.906 2.538 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCN(C/C=C\Cl)C2)c1 ZINC001029000508 722617668 /nfs/dbraw/zinc/61/76/68/722617668.db2.gz GECIVKMVWPZIEI-FAOGRTBUSA-N 1 3 335.879 2.552 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCN(C/C=C/Cl)C2)c1 ZINC001029000511 722617999 /nfs/dbraw/zinc/61/79/99/722617999.db2.gz GECIVKMVWPZIEI-YCOJEUHLSA-N 1 3 335.879 2.552 20 0 EFADHO C[NH2+]CCC1CCN([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000261965152 722638613 /nfs/dbraw/zinc/63/86/13/722638613.db2.gz AVFJHNYJNHISIK-IBGZPJMESA-N 1 3 329.488 2.812 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001029066108 722726177 /nfs/dbraw/zinc/72/61/77/722726177.db2.gz OVENBRULEJUBIV-MAUKXSAKSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066358 722726421 /nfs/dbraw/zinc/72/64/21/722726421.db2.gz SEUVUMQVMXEVFI-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO COC[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894616136 722797715 /nfs/dbraw/zinc/79/77/15/722797715.db2.gz DQNKHYPTYBBNTI-ICSRJNTNSA-N 1 3 334.504 2.522 20 0 EFADHO COCC[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894654383 722809569 /nfs/dbraw/zinc/80/95/69/722809569.db2.gz YBXTXRMCSTVCEM-TZIWHRDSSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782859 722846939 /nfs/dbraw/zinc/84/69/39/722846939.db2.gz NYCVPDJJBMZLID-MCIONIFRSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782859 722846940 /nfs/dbraw/zinc/84/69/40/722846940.db2.gz NYCVPDJJBMZLID-MCIONIFRSA-N 1 3 349.466 2.807 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000983661772 722846993 /nfs/dbraw/zinc/84/69/93/722846993.db2.gz PDUNGIAWNKWSEG-IHPCNDPISA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029110465 722881344 /nfs/dbraw/zinc/88/13/44/722881344.db2.gz OSUBQTYYMNGQRV-XLIONFOSSA-N 1 3 345.531 2.990 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001029144368 722922637 /nfs/dbraw/zinc/92/26/37/722922637.db2.gz IJDMGKFXTLDBFP-YJBOKZPZSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029149951 722925731 /nfs/dbraw/zinc/92/57/31/722925731.db2.gz FYSUNARLWDHVKS-INIZCTEOSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150081 722926713 /nfs/dbraw/zinc/92/67/13/722926713.db2.gz IMDXCVWJBDZESN-HNNXBMFYSA-N 1 3 330.476 2.669 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001029150414 722928231 /nfs/dbraw/zinc/92/82/31/722928231.db2.gz MZDOSIOYJXCTBI-INIZCTEOSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150750 722928471 /nfs/dbraw/zinc/92/84/71/722928471.db2.gz SEOBZVNHQSYGAY-CQSZACIVSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001029151288 722928606 /nfs/dbraw/zinc/92/86/06/722928606.db2.gz ZYAWMCUZMCRDOO-CVEARBPZSA-N 1 3 340.471 2.930 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029160066 722932616 /nfs/dbraw/zinc/93/26/16/722932616.db2.gz OINJPESMPUJZKA-KRWDZBQOSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172679 722940826 /nfs/dbraw/zinc/94/08/26/722940826.db2.gz FYKNLVCWADDJEH-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172695 722940921 /nfs/dbraw/zinc/94/09/21/722940921.db2.gz GKUVLIOOIHJGEV-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173204 722940947 /nfs/dbraw/zinc/94/09/47/722940947.db2.gz LHJINLKUCFCXTL-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473640 723285192 /nfs/dbraw/zinc/28/51/92/723285192.db2.gz QIUYVRFQJOJUBI-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473640 723285198 /nfs/dbraw/zinc/28/51/98/723285198.db2.gz QIUYVRFQJOJUBI-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000939211676 728818998 /nfs/dbraw/zinc/81/89/98/728818998.db2.gz URXVUSFAAOCQLK-PBHICJAKSA-N 1 3 332.492 2.605 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)c1 ZINC001031801299 728813839 /nfs/dbraw/zinc/81/38/39/728813839.db2.gz BDHJVVKHAMSPCN-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)c1 ZINC001031801299 728813842 /nfs/dbraw/zinc/81/38/42/728813842.db2.gz BDHJVVKHAMSPCN-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)C1CC1 ZINC001029337876 723387786 /nfs/dbraw/zinc/38/77/86/723387786.db2.gz NMYDRVNZCSOUGV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001029337876 723387789 /nfs/dbraw/zinc/38/77/89/723387789.db2.gz NMYDRVNZCSOUGV-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CCC1 ZINC001029339164 723389916 /nfs/dbraw/zinc/38/99/16/723389916.db2.gz SAKKHUBXTYPKFP-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CCC1 ZINC001029339164 723389918 /nfs/dbraw/zinc/38/99/18/723389918.db2.gz SAKKHUBXTYPKFP-ZCNNSNEGSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CCC1 ZINC001029339163 723390045 /nfs/dbraw/zinc/39/00/45/723390045.db2.gz SAKKHUBXTYPKFP-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CC1CCC1 ZINC001029339163 723390051 /nfs/dbraw/zinc/39/00/51/723390051.db2.gz SAKKHUBXTYPKFP-HSALFYBXSA-N 1 3 345.531 2.869 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000939211968 728819198 /nfs/dbraw/zinc/81/91/98/728819198.db2.gz VQFLLJSYECSRMX-MGPUTAFESA-N 1 3 348.450 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)N(C)C ZINC001029347426 723404574 /nfs/dbraw/zinc/40/45/74/723404574.db2.gz VCUCNMRDGGJBJU-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1)N(C)C ZINC001029347426 723404578 /nfs/dbraw/zinc/40/45/78/723404578.db2.gz VCUCNMRDGGJBJU-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000896742386 723453166 /nfs/dbraw/zinc/45/31/66/723453166.db2.gz MRWAJEZVIJQTNE-IEBWSBKVSA-N 1 3 347.503 2.677 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000896742387 723453195 /nfs/dbraw/zinc/45/31/95/723453195.db2.gz MRWAJEZVIJQTNE-MJGOQNOKSA-N 1 3 347.503 2.677 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756975 723465851 /nfs/dbraw/zinc/46/58/51/723465851.db2.gz VBQODWFPLJIJLH-VQIMIIECSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756975 723465853 /nfs/dbraw/zinc/46/58/53/723465853.db2.gz VBQODWFPLJIJLH-VQIMIIECSA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444872 723469295 /nfs/dbraw/zinc/46/92/95/723469295.db2.gz PWEDLYUTDATTSF-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444872 723469298 /nfs/dbraw/zinc/46/92/98/723469298.db2.gz PWEDLYUTDATTSF-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC000984799517 723494579 /nfs/dbraw/zinc/49/45/79/723494579.db2.gz IICOOGAPPKESEZ-QBPKDAKJSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC000984803740 723496059 /nfs/dbraw/zinc/49/60/59/723496059.db2.gz IVSHDEHFHIUNDA-DUPRYPCISA-N 1 3 341.499 2.500 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000984804581 723496400 /nfs/dbraw/zinc/49/64/00/723496400.db2.gz PHEFRWGLMGQIGD-JFIYKMOQSA-N 1 3 333.520 2.535 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000984806416 723496908 /nfs/dbraw/zinc/49/69/08/723496908.db2.gz XWAFKYDZZSQLSO-NSISKUIASA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC000984806702 723497264 /nfs/dbraw/zinc/49/72/64/723497264.db2.gz ZXUYHEWBUPGCJM-ZOBUZTSGSA-N 1 3 349.906 2.666 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)C2)C1 ZINC000984807167 723497310 /nfs/dbraw/zinc/49/73/10/723497310.db2.gz GCWJGVQEAXLIEN-UJWQCDCRSA-N 1 3 347.547 2.639 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC000984808982 723497933 /nfs/dbraw/zinc/49/79/33/723497933.db2.gz PBGAEBMCAJACPC-IYARVYRRSA-N 1 3 333.520 2.703 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000939214564 728828827 /nfs/dbraw/zinc/82/88/27/728828827.db2.gz LTVIFNQPBYEHOX-YWZLYKJASA-N 1 3 348.450 2.742 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000985072796 723815109 /nfs/dbraw/zinc/81/51/09/723815109.db2.gz ADLCLHJUARMJID-IYARVYRRSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000985072901 723815278 /nfs/dbraw/zinc/81/52/78/723815278.db2.gz CEFDWAQRERJAAK-KOMQPUFPSA-N 1 3 346.862 2.599 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000985074427 723817886 /nfs/dbraw/zinc/81/78/86/723817886.db2.gz WPSNMOJWQRWMJV-ZVZYQTTQSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000985074489 723818036 /nfs/dbraw/zinc/81/80/36/723818036.db2.gz WQBKTYQYTOIAQY-HZGUWWOASA-N 1 3 332.492 2.571 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029405179 723851419 /nfs/dbraw/zinc/85/14/19/723851419.db2.gz BEOOVTKQBLUSTP-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029405179 723851424 /nfs/dbraw/zinc/85/14/24/723851424.db2.gz BEOOVTKQBLUSTP-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000985146196 723882185 /nfs/dbraw/zinc/88/21/85/723882185.db2.gz OYTWAZKXGMIKSK-UBWZFYQTSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC000985147336 723883401 /nfs/dbraw/zinc/88/34/01/723883401.db2.gz YPXJYCVDUXPBCL-BMOGMMAESA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985147884 723884225 /nfs/dbraw/zinc/88/42/25/723884225.db2.gz FKZMRGPBNKLXOK-OVWQWFNUSA-N 1 3 335.536 2.780 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC000985149217 723886307 /nfs/dbraw/zinc/88/63/07/723886307.db2.gz MJYZMOJHURTZIK-MRHSLFKSSA-N 1 3 347.478 2.683 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC3)C2)c1 ZINC000985149776 723887213 /nfs/dbraw/zinc/88/72/13/723887213.db2.gz PTPQKCUEFIQKOR-UAPYVXQJSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@H](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)N(C)C ZINC000895296210 724006119 /nfs/dbraw/zinc/00/61/19/724006119.db2.gz BASHNJZTGYPMTC-CQSZACIVSA-N 1 3 337.895 2.874 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001031812161 728870339 /nfs/dbraw/zinc/87/03/39/728870339.db2.gz OGFVSLIWKBBUAO-QGZVFWFLSA-N 1 3 341.499 2.732 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327364 724128576 /nfs/dbraw/zinc/12/85/76/724128576.db2.gz FREKDSRTVZVMDX-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327364 724128578 /nfs/dbraw/zinc/12/85/78/724128578.db2.gz FREKDSRTVZVMDX-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985327747 724128877 /nfs/dbraw/zinc/12/88/77/724128877.db2.gz KAFBHZHUDVHRTJ-FQEVSTJZSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000985327747 724128880 /nfs/dbraw/zinc/12/88/80/724128880.db2.gz KAFBHZHUDVHRTJ-FQEVSTJZSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327801 724128973 /nfs/dbraw/zinc/12/89/73/724128973.db2.gz MFXJGNQYMDMLFF-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985327801 724128974 /nfs/dbraw/zinc/12/89/74/724128974.db2.gz MFXJGNQYMDMLFF-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985327748 724129088 /nfs/dbraw/zinc/12/90/88/724129088.db2.gz KAFBHZHUDVHRTJ-HXUWFJFHSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985327748 724129090 /nfs/dbraw/zinc/12/90/90/724129090.db2.gz KAFBHZHUDVHRTJ-HXUWFJFHSA-N 1 3 343.515 2.555 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985332486 724133139 /nfs/dbraw/zinc/13/31/39/724133139.db2.gz QDDHHNONQOPGIG-APWZRJJASA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985332486 724133142 /nfs/dbraw/zinc/13/31/42/724133142.db2.gz QDDHHNONQOPGIG-APWZRJJASA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331022 724134084 /nfs/dbraw/zinc/13/40/84/724134084.db2.gz BWJDWNQJSVSNQG-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331022 724134089 /nfs/dbraw/zinc/13/40/89/724134089.db2.gz BWJDWNQJSVSNQG-HNAYVOBHSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331358 724135122 /nfs/dbraw/zinc/13/51/22/724135122.db2.gz FMXBOJJULRLHDT-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331358 724135123 /nfs/dbraw/zinc/13/51/23/724135123.db2.gz FMXBOJJULRLHDT-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO CC1CCC(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000985335767 724137514 /nfs/dbraw/zinc/13/75/14/724137514.db2.gz YKFHSQKLLKZPFO-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000985335767 724137518 /nfs/dbraw/zinc/13/75/18/724137518.db2.gz YKFHSQKLLKZPFO-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000895496375 724167435 /nfs/dbraw/zinc/16/74/35/724167435.db2.gz FKHUAZKQRSFCBV-UHFFFAOYSA-N 1 3 342.409 2.564 20 0 EFADHO COc1ccc(C2=NO[C@@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1C ZINC000895499991 724170410 /nfs/dbraw/zinc/17/04/10/724170410.db2.gz FFQJGGPWCMGQPJ-GOSISDBHSA-N 1 3 345.487 2.959 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029595702 724198772 /nfs/dbraw/zinc/19/87/72/724198772.db2.gz NKWUPVXPXDHMDV-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029595702 724198773 /nfs/dbraw/zinc/19/87/73/724198773.db2.gz NKWUPVXPXDHMDV-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895731066 724287808 /nfs/dbraw/zinc/28/78/08/724287808.db2.gz VCNJYBJEJPVHHR-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895731066 724287809 /nfs/dbraw/zinc/28/78/09/724287809.db2.gz VCNJYBJEJPVHHR-RTBURBONSA-N 1 3 329.488 2.528 20 0 EFADHO CCC1(N2CCC2)CC[NH+](C[C@@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC000895823129 724334190 /nfs/dbraw/zinc/33/41/90/724334190.db2.gz UAINNIZICJXYIA-PKOBYXMFSA-N 1 3 346.519 2.838 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671915 724360264 /nfs/dbraw/zinc/36/02/64/724360264.db2.gz FFGAQOTXBXESFC-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671915 724360268 /nfs/dbraw/zinc/36/02/68/724360268.db2.gz FFGAQOTXBXESFC-RBUKOAKNSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001029674297 724364915 /nfs/dbraw/zinc/36/49/15/724364915.db2.gz FDTAVPOOJDCAID-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001029674297 724364921 /nfs/dbraw/zinc/36/49/21/724364921.db2.gz FDTAVPOOJDCAID-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985745254 724849989 /nfs/dbraw/zinc/84/99/89/724849989.db2.gz DKHYZVSBYOACQJ-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985745254 724849991 /nfs/dbraw/zinc/84/99/91/724849991.db2.gz DKHYZVSBYOACQJ-KRWDZBQOSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789565 724886385 /nfs/dbraw/zinc/88/63/85/724886385.db2.gz JVRVEAUXAIFFPI-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789565 724886387 /nfs/dbraw/zinc/88/63/87/724886387.db2.gz JVRVEAUXAIFFPI-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985789797 724886960 /nfs/dbraw/zinc/88/69/60/724886960.db2.gz OJVBLFXUDXHXSJ-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985789797 724886962 /nfs/dbraw/zinc/88/69/62/724886962.db2.gz OJVBLFXUDXHXSJ-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789725 724887002 /nfs/dbraw/zinc/88/70/02/724887002.db2.gz MYRVKCAKSZHBKT-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789725 724887004 /nfs/dbraw/zinc/88/70/04/724887004.db2.gz MYRVKCAKSZHBKT-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985793580 724889684 /nfs/dbraw/zinc/88/96/84/724889684.db2.gz UXNFWCMYXNBZKH-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985793580 724889687 /nfs/dbraw/zinc/88/96/87/724889687.db2.gz UXNFWCMYXNBZKH-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)c1 ZINC000986815250 724895299 /nfs/dbraw/zinc/89/52/99/724895299.db2.gz SIIBTKKDIUTKSO-DNVCBOLYSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)C[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985805405 724899278 /nfs/dbraw/zinc/89/92/78/724899278.db2.gz VOMUEPIKUVMOSN-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000985805405 724899280 /nfs/dbraw/zinc/89/92/80/724899280.db2.gz VOMUEPIKUVMOSN-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933274 724974366 /nfs/dbraw/zinc/97/43/66/724974366.db2.gz BDJIINFHDFRTAB-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3)C2)CC1 ZINC001029876063 724976390 /nfs/dbraw/zinc/97/63/90/724976390.db2.gz RTABKHMLEYZTGP-FQEVSTJZSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001029876063 724976392 /nfs/dbraw/zinc/97/63/92/724976392.db2.gz RTABKHMLEYZTGP-FQEVSTJZSA-N 1 3 343.515 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC001029997040 724986541 /nfs/dbraw/zinc/98/65/41/724986541.db2.gz ZUPCJUQUVGLKCY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC001029997040 724986544 /nfs/dbraw/zinc/98/65/44/724986544.db2.gz ZUPCJUQUVGLKCY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986961113 724991866 /nfs/dbraw/zinc/99/18/66/724991866.db2.gz RTVRXAPZYTWYDO-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[N@@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000420 724995644 /nfs/dbraw/zinc/99/56/44/724995644.db2.gz YSKXANYMQJTFBE-UHFFFAOYSA-N 1 3 330.476 2.623 20 0 EFADHO C[N@H+](CC1=CCCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000420 724995646 /nfs/dbraw/zinc/99/56/46/724995646.db2.gz YSKXANYMQJTFBE-UHFFFAOYSA-N 1 3 330.476 2.623 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC000994950180 728928347 /nfs/dbraw/zinc/92/83/47/728928347.db2.gz YOUSZRXFZRAXJB-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+](Cc1ccsc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013415 725436929 /nfs/dbraw/zinc/43/69/29/725436929.db2.gz HXFGUAHDMGZAIE-UHFFFAOYSA-N 1 3 335.517 2.514 20 0 EFADHO C[N@H+](Cc1ccsc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013415 725436931 /nfs/dbraw/zinc/43/69/31/725436931.db2.gz HXFGUAHDMGZAIE-UHFFFAOYSA-N 1 3 335.517 2.514 20 0 EFADHO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013596 725437454 /nfs/dbraw/zinc/43/74/54/725437454.db2.gz MCSDCMNDCJBDJF-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013596 725437455 /nfs/dbraw/zinc/43/74/55/725437455.db2.gz MCSDCMNDCJBDJF-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[N@H+](CC1CCCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013784 725437673 /nfs/dbraw/zinc/43/76/73/725437673.db2.gz TXVOLEGGRYDBSR-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[N@@H+](CC1CCCCC1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013784 725437674 /nfs/dbraw/zinc/43/76/74/725437674.db2.gz TXVOLEGGRYDBSR-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013865 725437848 /nfs/dbraw/zinc/43/78/48/725437848.db2.gz XALXHEQKPVJETE-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013865 725437849 /nfs/dbraw/zinc/43/78/49/725437849.db2.gz XALXHEQKPVJETE-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCC2)CC1 ZINC001030014696 725440580 /nfs/dbraw/zinc/44/05/80/725440580.db2.gz IDFAAZKIOVQZIU-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001030014696 725440582 /nfs/dbraw/zinc/44/05/82/725440582.db2.gz IDFAAZKIOVQZIU-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014902 725463929 /nfs/dbraw/zinc/46/39/29/725463929.db2.gz UMIYFZSMBQSNLK-NLWGTHIKSA-N 1 3 333.520 2.774 20 0 EFADHO CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014902 725463931 /nfs/dbraw/zinc/46/39/31/725463931.db2.gz UMIYFZSMBQSNLK-NLWGTHIKSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987061276 725471723 /nfs/dbraw/zinc/47/17/23/725471723.db2.gz XYHVMSPBZNKDRQ-BEFAXECRSA-N 1 3 340.471 2.855 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987071266 725477119 /nfs/dbraw/zinc/47/71/19/725477119.db2.gz VWWWMYRNMFFGDO-DNVCBOLYSA-N 1 3 340.471 2.855 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066651 725477556 /nfs/dbraw/zinc/47/75/56/725477556.db2.gz KXLNTCYANDISDZ-IFXJQAMLSA-N 1 3 338.455 2.609 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)cs1 ZINC000987252611 725612817 /nfs/dbraw/zinc/61/28/17/725612817.db2.gz FUCUQSICYMSSNO-AEFFLSMTSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)cc1 ZINC000987254394 725613503 /nfs/dbraw/zinc/61/35/03/725613503.db2.gz KVBHQAKLQXEVKW-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@@H]2C)cc1 ZINC000987254402 725613530 /nfs/dbraw/zinc/61/35/30/725613530.db2.gz KVBHQAKLQXEVKW-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255834 725613941 /nfs/dbraw/zinc/61/39/41/725613941.db2.gz QVSKGEBQIKLTGI-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256934 725615114 /nfs/dbraw/zinc/61/51/14/725615114.db2.gz UOWRODAZOFXSEH-AZUAARDMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256958 725615229 /nfs/dbraw/zinc/61/52/29/725615229.db2.gz UURGQOJSRNNCKG-HKUYNNGSSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CN1CCCC1 ZINC000987515509 725732226 /nfs/dbraw/zinc/73/22/26/725732226.db2.gz BJKLYSWJZNZNND-JSGCOSHPSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)CN1CCCC1 ZINC000987526762 725735596 /nfs/dbraw/zinc/73/55/96/725735596.db2.gz RWNSVHBPPHAJAS-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)CN1CCCC1 ZINC000987530002 725736299 /nfs/dbraw/zinc/73/62/99/725736299.db2.gz FXUKPYZRUZEHOM-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cc3ccccc3o2)CCN1C(=O)CN1CCCC1 ZINC000987521112 725737959 /nfs/dbraw/zinc/73/79/59/725737959.db2.gz XHGWQVVKXOGRJX-QAPCUYQASA-N 1 3 341.455 2.608 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521287 725738071 /nfs/dbraw/zinc/73/80/71/725738071.db2.gz ZUUHRJGUGXSVCD-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987522071 725738368 /nfs/dbraw/zinc/73/83/68/725738368.db2.gz FCCPRQLIJBBUFF-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC000987569255 725759371 /nfs/dbraw/zinc/75/93/71/725759371.db2.gz WQTCUOVBEBAZAZ-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816042 725873934 /nfs/dbraw/zinc/87/39/34/725873934.db2.gz YFUFSRDNDUMBBL-DLBZAZTESA-N 1 3 326.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816042 725873937 /nfs/dbraw/zinc/87/39/37/725873937.db2.gz YFUFSRDNDUMBBL-DLBZAZTESA-N 1 3 326.444 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCF)CC3)c1 ZINC000992509329 725912460 /nfs/dbraw/zinc/91/24/60/725912460.db2.gz NCTXMUYDBPDDNR-AZUAARDMSA-N 1 3 347.478 2.835 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCCF)CC3)c1 ZINC000992509329 725912462 /nfs/dbraw/zinc/91/24/62/725912462.db2.gz NCTXMUYDBPDDNR-AZUAARDMSA-N 1 3 347.478 2.835 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992515680 725918883 /nfs/dbraw/zinc/91/88/83/725918883.db2.gz ZOJWZVQLGWIYGO-UYAOXDASSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992515680 725918886 /nfs/dbraw/zinc/91/88/86/725918886.db2.gz ZOJWZVQLGWIYGO-UYAOXDASSA-N 1 3 329.488 2.883 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCC3)[C@H]2C1)C1CCC1 ZINC000992708618 726127134 /nfs/dbraw/zinc/12/71/34/726127134.db2.gz IAMUHUZQKGGBDF-IHPCNDPISA-N 1 3 347.547 2.878 20 0 EFADHO CCN1CCC[C@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000914316319 726233955 /nfs/dbraw/zinc/23/39/55/726233955.db2.gz PYNJJULPHZRAKT-HFCFLWKCSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390370 726277300 /nfs/dbraw/zinc/27/73/00/726277300.db2.gz CDUXLALDGBLKKQ-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2CCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390370 726277305 /nfs/dbraw/zinc/27/73/05/726277305.db2.gz CDUXLALDGBLKKQ-OALUTQOASA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992867796 726304404 /nfs/dbraw/zinc/30/44/04/726304404.db2.gz YVOMUDDKJWYAKC-IPMKNSEASA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992923899 726341015 /nfs/dbraw/zinc/34/10/15/726341015.db2.gz IZHQSXXRMACIAX-SLFFLAALSA-N 1 3 343.515 2.987 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)c2cccc3c2OCCNC3)c1 ZINC000911681891 727581422 /nfs/dbraw/zinc/58/14/22/727581422.db2.gz DVTIKDYRAYPYGT-UHFFFAOYSA-N 1 3 325.412 2.530 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C ZINC000911932112 727624934 /nfs/dbraw/zinc/62/49/34/727624934.db2.gz UVFNLWUVGFIOCG-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCCN1C ZINC000911932112 727624936 /nfs/dbraw/zinc/62/49/36/727624936.db2.gz UVFNLWUVGFIOCG-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087469 727669050 /nfs/dbraw/zinc/66/90/50/727669050.db2.gz ROLICXPCJGXINF-HNNXBMFYSA-N 1 3 347.532 2.843 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087469 727669052 /nfs/dbraw/zinc/66/90/52/727669052.db2.gz ROLICXPCJGXINF-HNNXBMFYSA-N 1 3 347.532 2.843 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087470 727669084 /nfs/dbraw/zinc/66/90/84/727669084.db2.gz ROLICXPCJGXINF-OAHLLOKOSA-N 1 3 347.532 2.843 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cnccc1N1CCCCC1 ZINC000733087470 727669085 /nfs/dbraw/zinc/66/90/85/727669085.db2.gz ROLICXPCJGXINF-OAHLLOKOSA-N 1 3 347.532 2.843 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994252504 727674627 /nfs/dbraw/zinc/67/46/27/727674627.db2.gz MBOFDCVWHTZOOP-IEBWSBKVSA-N 1 3 341.499 2.560 20 0 EFADHO CC1[NH2+]CCn2c(C(=O)Nc3cccc(Cn4cccn4)c3)ccc21 ZINC000912402092 727706116 /nfs/dbraw/zinc/70/61/16/727706116.db2.gz WRVAENHIOCYDOB-CQSZACIVSA-N 1 3 335.411 2.649 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994483912 727768374 /nfs/dbraw/zinc/76/83/74/727768374.db2.gz IIMXDTIBYCLIJX-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC000994483912 727768376 /nfs/dbraw/zinc/76/83/76/727768376.db2.gz IIMXDTIBYCLIJX-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CC1CC1 ZINC000994487001 727769305 /nfs/dbraw/zinc/76/93/05/727769305.db2.gz NYNSVGFUBXGFDO-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CC1CC1 ZINC000994487001 727769306 /nfs/dbraw/zinc/76/93/06/727769306.db2.gz NYNSVGFUBXGFDO-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994502365 727772314 /nfs/dbraw/zinc/77/23/14/727772314.db2.gz UOWXRCZOUSHRHR-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC000994502365 727772315 /nfs/dbraw/zinc/77/23/15/727772315.db2.gz UOWXRCZOUSHRHR-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc2c1OCO2 ZINC000925437100 727795656 /nfs/dbraw/zinc/79/56/56/727795656.db2.gz JTBBFNFBPDPMSF-OAGGEKHMSA-N 1 3 334.460 2.955 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C[C@@H](C)O1 ZINC000925438957 727811499 /nfs/dbraw/zinc/81/14/99/727811499.db2.gz GIXJWQSRAWAGNO-NCXUSEDFSA-N 1 3 326.525 2.797 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2CCCO)C[C@H](C)O1 ZINC000925438958 727811650 /nfs/dbraw/zinc/81/16/50/727811650.db2.gz GIXJWQSRAWAGNO-ZSYWTGECSA-N 1 3 326.525 2.797 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)N1CCCC1 ZINC000995047704 727913355 /nfs/dbraw/zinc/91/33/55/727913355.db2.gz AGDKMQWMQVUXLM-MOPGFXCFSA-N 1 3 343.515 2.936 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC000948244947 727958617 /nfs/dbraw/zinc/95/86/17/727958617.db2.gz LNHAABPXBWBWDQ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000948244947 727958620 /nfs/dbraw/zinc/95/86/20/727958620.db2.gz LNHAABPXBWBWDQ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](C/C=C\Cl)CC2)c1ccn2cncc2c1 ZINC000991624229 728176898 /nfs/dbraw/zinc/17/68/98/728176898.db2.gz LSZRJOURFGBVAK-IBMGUMGXSA-N 1 3 344.846 2.814 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](C/C=C\Cl)CC2)c1ccn2cncc2c1 ZINC000991624229 728176901 /nfs/dbraw/zinc/17/69/01/728176901.db2.gz LSZRJOURFGBVAK-IBMGUMGXSA-N 1 3 344.846 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000995181356 728185001 /nfs/dbraw/zinc/18/50/01/728185001.db2.gz HCODMIFUSZBRTL-AEFFLSMTSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000995187729 728225218 /nfs/dbraw/zinc/22/52/18/728225218.db2.gz SYPFHFYFTPEGDP-SJORKVTESA-N 1 3 332.492 2.715 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000158117108 728303818 /nfs/dbraw/zinc/30/38/18/728303818.db2.gz ISMOQVOCAHCAAQ-DFBGVHRSSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000158117108 728303823 /nfs/dbraw/zinc/30/38/23/728303823.db2.gz ISMOQVOCAHCAAQ-DFBGVHRSSA-N 1 3 327.266 2.555 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031919350 728363399 /nfs/dbraw/zinc/36/33/99/728363399.db2.gz SYJUIOZRUTZQMI-PXNSSMCTSA-N 1 3 343.515 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031919350 728363401 /nfs/dbraw/zinc/36/34/01/728363401.db2.gz SYJUIOZRUTZQMI-PXNSSMCTSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)C1 ZINC000995233762 728422280 /nfs/dbraw/zinc/42/22/80/728422280.db2.gz QESPYWAPODHJAY-WMZOPIPTSA-N 1 3 329.488 2.646 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000062253065 728563790 /nfs/dbraw/zinc/56/37/90/728563790.db2.gz CAULWRDCDKFVDR-HOTGVXAUSA-N 1 3 336.476 2.683 20 0 EFADHO CCC[NH+]1CCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000230406453 728578964 /nfs/dbraw/zinc/57/89/64/728578964.db2.gz AHTXDJORUOGPJM-UHFFFAOYSA-N 1 3 325.497 2.898 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=S)NC2CCN(C)CC2)c1 ZINC000063149610 728614087 /nfs/dbraw/zinc/61/40/87/728614087.db2.gz UUYQSNPAPOWDFK-UHFFFAOYSA-N 1 3 348.560 2.587 20 0 EFADHO COc1ccc(CN(C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C2CC2)cc1 ZINC000919770908 729084503 /nfs/dbraw/zinc/08/45/03/729084503.db2.gz VKEGVATYSVTARH-LPHOPBHVSA-N 1 3 332.488 2.752 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665564 729199050 /nfs/dbraw/zinc/19/90/50/729199050.db2.gz AJTQXEOCKNJVJA-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665564 729199052 /nfs/dbraw/zinc/19/90/52/729199052.db2.gz AJTQXEOCKNJVJA-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001031665791 729199845 /nfs/dbraw/zinc/19/98/45/729199845.db2.gz HPFGRMLPZJPEPW-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001031665791 729199846 /nfs/dbraw/zinc/19/98/46/729199846.db2.gz HPFGRMLPZJPEPW-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766251 729773146 /nfs/dbraw/zinc/77/31/46/729773146.db2.gz DFLKXANUDVMFEW-RTBURBONSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766251 729773147 /nfs/dbraw/zinc/77/31/47/729773147.db2.gz DFLKXANUDVMFEW-RTBURBONSA-N 1 3 331.504 2.552 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)c1 ZINC001031765968 729773541 /nfs/dbraw/zinc/77/35/41/729773541.db2.gz XBGBTUUJGFWPMW-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC001031765968 729773542 /nfs/dbraw/zinc/77/35/42/729773542.db2.gz XBGBTUUJGFWPMW-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389840 1126135035 /nfs/dbraw/zinc/13/50/35/1126135035.db2.gz XNUZSBFJIKIHAI-CBZIJGRNSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)s1 ZINC000922389840 1126135036 /nfs/dbraw/zinc/13/50/36/1126135036.db2.gz XNUZSBFJIKIHAI-CBZIJGRNSA-N 1 3 337.533 2.836 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514113 1087815122 /nfs/dbraw/zinc/81/51/22/1087815122.db2.gz GOUKIAAUPQBLTL-HDMKZQKVSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514113 1087815148 /nfs/dbraw/zinc/81/51/48/1087815148.db2.gz GOUKIAAUPQBLTL-HDMKZQKVSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514113 1087815155 /nfs/dbraw/zinc/81/51/55/1087815155.db2.gz GOUKIAAUPQBLTL-HDMKZQKVSA-N 1 3 340.895 2.710 20 0 EFADHO C[C@H](CNC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001646517344 1087823596 /nfs/dbraw/zinc/82/35/96/1087823596.db2.gz SBIMULMQCNVNSA-CPUCHLNUSA-N 1 3 328.884 2.566 20 0 EFADHO C[C@H](CNC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001646517346 1087824042 /nfs/dbraw/zinc/82/40/42/1087824042.db2.gz SBIMULMQCNVNSA-JKIFEVAISA-N 1 3 328.884 2.566 20 0 EFADHO C[C@H](CNC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C[NH+](C)C ZINC001646517335 1087824741 /nfs/dbraw/zinc/82/47/41/1087824741.db2.gz SBIMULMQCNVNSA-CKEIUWERSA-N 1 3 328.884 2.566 20 0 EFADHO C=Cn1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC001574963568 1088174616 /nfs/dbraw/zinc/17/46/16/1088174616.db2.gz WUKQZVJLRHPOIZ-UHFFFAOYSA-N 1 3 340.475 2.553 20 0 EFADHO CC(=O)Nc1ccccc1CN1CCC([C@H]2[NH2+]CC23CCC3)CC1 ZINC001575028335 1088203553 /nfs/dbraw/zinc/20/35/53/1088203553.db2.gz AWCMWXLBNVKKQG-LJQANCHMSA-N 1 3 327.472 2.999 20 0 EFADHO CC(C)(C)[C@@]1(CN)CC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001575116840 1088252133 /nfs/dbraw/zinc/25/21/33/1088252133.db2.gz ZMXKFNLVCUXSPA-AZUAARDMSA-N 1 3 334.504 2.651 20 0 EFADHO CC(C)(C)[C@@]1(CN)CC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001575116840 1088252148 /nfs/dbraw/zinc/25/21/48/1088252148.db2.gz ZMXKFNLVCUXSPA-AZUAARDMSA-N 1 3 334.504 2.651 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3[C@H]4CCC[NH2+][C@H]4C3(C)C)C2)C1 ZINC001575173285 1088287659 /nfs/dbraw/zinc/28/76/59/1088287659.db2.gz URDLKQNEQKXVKU-ARFHVFGLSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3[C@H]4CCCN[C@H]4C3(C)C)C2)C1 ZINC001575173285 1088287677 /nfs/dbraw/zinc/28/76/77/1088287677.db2.gz URDLKQNEQKXVKU-ARFHVFGLSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)C1 ZINC001575173292 1088289317 /nfs/dbraw/zinc/28/93/17/1088289317.db2.gz URDLKQNEQKXVKU-OWCLPIDISA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3[C@@H]4CCCN[C@@H]4C3(C)C)C2)C1 ZINC001575173292 1088289334 /nfs/dbraw/zinc/28/93/34/1088289334.db2.gz URDLKQNEQKXVKU-OWCLPIDISA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(NC[C@H]3CCCC[NH2+]C3)CCC[C@@H]12 ZINC001575201772 1088305514 /nfs/dbraw/zinc/30/55/14/1088305514.db2.gz KAPPXSPGGCFJSS-FCEWJHQRSA-N 1 3 337.508 2.898 20 0 EFADHO CC(C)(C)OC(=O)NCC1(NC[C@H]([NH3+])CC(F)(F)F)CCCC1 ZINC001575219693 1088317049 /nfs/dbraw/zinc/31/70/49/1088317049.db2.gz ZLVYITPPSYKENW-LLVKDONJSA-N 1 3 339.402 2.693 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC001646843656 1088357813 /nfs/dbraw/zinc/35/78/13/1088357813.db2.gz BGHRORFDVYXIMP-KYNGSXCRSA-N 1 3 343.446 2.881 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001575410178 1088449919 /nfs/dbraw/zinc/44/99/19/1088449919.db2.gz NMKUDZPKDYOVSM-ZFWWWQNUSA-N 1 3 335.275 2.696 20 0 EFADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423319 1088458804 /nfs/dbraw/zinc/45/88/04/1088458804.db2.gz RUIOMPJOMCQDMM-KGLIPLIRSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423319 1088458815 /nfs/dbraw/zinc/45/88/15/1088458815.db2.gz RUIOMPJOMCQDMM-KGLIPLIRSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H](C[NH3+])CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423319 1088458819 /nfs/dbraw/zinc/45/88/19/1088458819.db2.gz RUIOMPJOMCQDMM-KGLIPLIRSA-N 1 3 338.883 2.616 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001647085166 1088861332 /nfs/dbraw/zinc/86/13/32/1088861332.db2.gz JTRGQOSQYDGLED-OALUTQOASA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001647236339 1089144783 /nfs/dbraw/zinc/14/47/83/1089144783.db2.gz HOUYYBXYTJSDMP-KKSFZXQISA-N 1 3 349.478 2.898 20 0 EFADHO CC1(C)CN(C(=O)C2=CC[NH2+]CC2)C(C)(C)CN1Cc1ccccc1 ZINC001576448028 1089250510 /nfs/dbraw/zinc/25/05/10/1089250510.db2.gz VTSVUDLBPUSWTP-UHFFFAOYSA-N 1 3 341.499 2.808 20 0 EFADHO C[C@@H]1C[C@H](CN2C[C@@H]3CCC[C@@]3([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001576596996 1089344550 /nfs/dbraw/zinc/34/45/50/1089344550.db2.gz CPUAMOOZYHSYRG-OAFZBRQQSA-N 1 3 337.508 2.835 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576605290 1089352539 /nfs/dbraw/zinc/35/25/39/1089352539.db2.gz KDTNHQVKVYREGL-NEWSRXKRSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C[NH2+]1 ZINC001576671066 1089388214 /nfs/dbraw/zinc/38/82/14/1089388214.db2.gz PVSNCJGOPMECOX-YKTARERQSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001576671296 1089388855 /nfs/dbraw/zinc/38/88/55/1089388855.db2.gz XFMAPJROIDVUJF-RVKKMQEKSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1CCCN(C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@@H]1CC[NH3+] ZINC001576704875 1089407464 /nfs/dbraw/zinc/40/74/64/1089407464.db2.gz OIHNLTYCDLFRSS-OLMMMNRUSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CCC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@@H]1CCN ZINC001576704875 1089407470 /nfs/dbraw/zinc/40/74/70/1089407470.db2.gz OIHNLTYCDLFRSS-OLMMMNRUSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CCC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@@H]1CCN ZINC001576704875 1089407476 /nfs/dbraw/zinc/40/74/76/1089407476.db2.gz OIHNLTYCDLFRSS-OLMMMNRUSA-N 1 3 337.508 2.693 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001576752662 1089438154 /nfs/dbraw/zinc/43/81/54/1089438154.db2.gz JMZJYWLNRHMRBC-ILXRZTDVSA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001576760650 1089445266 /nfs/dbraw/zinc/44/52/66/1089445266.db2.gz SRDZFRHKNLTBNG-NUIAMIPMSA-N 1 3 335.536 2.874 20 0 EFADHO C[C@H]1CN(CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC001576800251 1089466756 /nfs/dbraw/zinc/46/67/56/1089466756.db2.gz GWEXHDWCWUKXBS-MKXAEBJUSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1N ZINC001576800251 1089466771 /nfs/dbraw/zinc/46/67/71/1089466771.db2.gz GWEXHDWCWUKXBS-MKXAEBJUSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@H]1C[N@@H+](CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[C@@H]1N ZINC001576800251 1089466779 /nfs/dbraw/zinc/46/67/79/1089466779.db2.gz GWEXHDWCWUKXBS-MKXAEBJUSA-N 1 3 337.508 2.834 20 0 EFADHO C[C@@H](N[C@H]1C[NH2+]C[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576849753 1089488273 /nfs/dbraw/zinc/48/82/73/1089488273.db2.gz JUCQYESKZLYLFN-IIAWOOMASA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001576907852 1089521864 /nfs/dbraw/zinc/52/18/64/1089521864.db2.gz MLGYSBUQGHCKTK-PBWTXFEYSA-N 1 3 331.504 2.742 20 0 EFADHO CC[C@](C)([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(F)cc1 ZINC001576960137 1089549875 /nfs/dbraw/zinc/54/98/75/1089549875.db2.gz KCESKAYXHRADAU-UFYCRDLUSA-N 1 3 330.447 2.971 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562832 1089550167 /nfs/dbraw/zinc/55/01/67/1089550167.db2.gz LLZNECPHXBEYMM-ZBFHGGJFSA-N 1 3 330.394 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562832 1089550176 /nfs/dbraw/zinc/55/01/76/1089550176.db2.gz LLZNECPHXBEYMM-ZBFHGGJFSA-N 1 3 330.394 2.540 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562832 1089550184 /nfs/dbraw/zinc/55/01/84/1089550184.db2.gz LLZNECPHXBEYMM-ZBFHGGJFSA-N 1 3 330.394 2.540 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12)c1ccco1 ZINC001577002170 1089576997 /nfs/dbraw/zinc/57/69/97/1089576997.db2.gz DJHJGPSTNVMDTH-YTGMWSOZSA-N 1 3 347.503 2.993 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccco1 ZINC001577004452 1089578450 /nfs/dbraw/zinc/57/84/50/1089578450.db2.gz VDUWIULWVKFPRC-ARFHVFGLSA-N 1 3 336.480 2.540 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH3+])c1ccco1 ZINC001577004062 1089578672 /nfs/dbraw/zinc/57/86/72/1089578672.db2.gz QGKMYRXWRXZUHB-WMLDXEAASA-N 1 3 344.459 2.667 20 0 EFADHO CC[C@@H](Cn1c([C@@H]2CCCN2)nnc1N(C)C1CCC1)[NH+]1CCCC1 ZINC001577103932 1089658141 /nfs/dbraw/zinc/65/81/41/1089658141.db2.gz FGFWWIFDVIIULO-RDJZCZTQSA-N 1 3 346.523 2.566 20 0 EFADHO CC[C@@H]1CN(Cc2ccccc2-n2nnc3ccccc32)CC[C@@H]1[NH3+] ZINC001577279204 1089794601 /nfs/dbraw/zinc/79/46/01/1089794601.db2.gz AIJRZNVACQHUCE-WBVHZDCISA-N 1 3 335.455 2.980 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1OCCNC2 ZINC001577458086 1089982026 /nfs/dbraw/zinc/98/20/26/1089982026.db2.gz SJPBKTYJXJIKSP-QGZVFWFLSA-N 1 3 345.487 2.553 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1OCCNC2 ZINC001577458086 1089982036 /nfs/dbraw/zinc/98/20/36/1089982036.db2.gz SJPBKTYJXJIKSP-QGZVFWFLSA-N 1 3 345.487 2.553 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC001577495309 1090007887 /nfs/dbraw/zinc/00/78/87/1090007887.db2.gz CLYWLPMTFPKPNL-BBRMVZONSA-N 1 3 325.884 2.695 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(CC)C(C)C ZINC001577535438 1090039485 /nfs/dbraw/zinc/03/94/85/1090039485.db2.gz BAVNQSCZMKAWIB-IRXDYDNUSA-N 1 3 348.539 2.812 20 0 EFADHO CCC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2)nnc1N(CC)C(C)C ZINC001577535438 1090039496 /nfs/dbraw/zinc/03/94/96/1090039496.db2.gz BAVNQSCZMKAWIB-IRXDYDNUSA-N 1 3 348.539 2.812 20 0 EFADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC001577929167 1090216253 /nfs/dbraw/zinc/21/62/53/1090216253.db2.gz YHRQLGLKUALWIG-AZUAARDMSA-N 1 3 330.472 2.626 20 0 EFADHO CC[NH+]1CCC(C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC001578215336 1090310578 /nfs/dbraw/zinc/31/05/78/1090310578.db2.gz LUDKGEPXNBGEGV-UHFFFAOYSA-N 1 3 342.491 2.809 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)CC1 ZINC001578215336 1090310584 /nfs/dbraw/zinc/31/05/84/1090310584.db2.gz LUDKGEPXNBGEGV-UHFFFAOYSA-N 1 3 342.491 2.809 20 0 EFADHO CC[NH+]1CCC(C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CC1 ZINC001578215336 1090310591 /nfs/dbraw/zinc/31/05/91/1090310591.db2.gz LUDKGEPXNBGEGV-UHFFFAOYSA-N 1 3 342.491 2.809 20 0 EFADHO CC[NH+]1CCC(C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)CC1 ZINC001578215336 1090310597 /nfs/dbraw/zinc/31/05/97/1090310597.db2.gz LUDKGEPXNBGEGV-UHFFFAOYSA-N 1 3 342.491 2.809 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)N(C)C)cc1 ZINC001578253636 1090318453 /nfs/dbraw/zinc/31/84/53/1090318453.db2.gz HNTIKUCWXDKHOJ-ZWKOTPCHSA-N 1 3 333.520 2.992 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001578417109 1090367496 /nfs/dbraw/zinc/36/74/96/1090367496.db2.gz NWFRGKCIQUWDRB-INIZCTEOSA-N 1 3 341.446 2.619 20 0 EFADHO C[N@H+](CCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC001578461417 1090377458 /nfs/dbraw/zinc/37/74/58/1090377458.db2.gz MTKGTIXYNIZYPU-IBGZPJMESA-N 1 3 345.487 2.941 20 0 EFADHO C[N@@H+](CCC(=O)Nc1ccc([C@@H]2CNCCO2)cc1)C1CCCCC1 ZINC001578461417 1090377467 /nfs/dbraw/zinc/37/74/67/1090377467.db2.gz MTKGTIXYNIZYPU-IBGZPJMESA-N 1 3 345.487 2.941 20 0 EFADHO CN(CCCN(C)C(=O)c1cc2c(s1)C[NH2+]CC2)Cc1ccco1 ZINC001578466708 1090379178 /nfs/dbraw/zinc/37/91/78/1090379178.db2.gz QLFPJCBFPHZDHF-UHFFFAOYSA-N 1 3 347.484 2.581 20 0 EFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC001578525781 1090391698 /nfs/dbraw/zinc/39/16/98/1090391698.db2.gz PVXZIZGFQGVGIK-CQSZACIVSA-N 1 3 349.862 2.799 20 0 EFADHO CNC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653666 1090414049 /nfs/dbraw/zinc/41/40/49/1090414049.db2.gz BHMHDQGFSNOEBW-GOEBONIOSA-N 1 3 346.393 2.563 20 0 EFADHO CNC[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653666 1090414051 /nfs/dbraw/zinc/41/40/51/1090414051.db2.gz BHMHDQGFSNOEBW-GOEBONIOSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]C[C@H](O)CN1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653666 1090414054 /nfs/dbraw/zinc/41/40/54/1090414054.db2.gz BHMHDQGFSNOEBW-GOEBONIOSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]CCC1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC001578677897 1090419124 /nfs/dbraw/zinc/41/91/24/1090419124.db2.gz RYQDOOFSVJDBCE-HNAYVOBHSA-N 1 3 347.478 2.809 20 0 EFADHO COC(=O)Nc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC001578827347 1090450303 /nfs/dbraw/zinc/45/03/03/1090450303.db2.gz JAECZFNGCBZGBM-UHFFFAOYSA-N 1 3 331.441 2.862 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)nc1 ZINC001578863826 1090457974 /nfs/dbraw/zinc/45/79/74/1090457974.db2.gz JFIHLBXGGPBCMJ-DNVCBOLYSA-N 1 3 345.487 2.988 20 0 EFADHO COC(=O)c1ccc2[nH]cc(C3CC[NH+](CC4(CN)CC4)CC3)c2c1 ZINC001578874759 1090460934 /nfs/dbraw/zinc/46/09/34/1090460934.db2.gz QSCNIAYVKUXROT-UHFFFAOYSA-N 1 3 341.455 2.873 20 0 EFADHO COCC[C@@H]([NH3+])CNCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001579004390 1090495138 /nfs/dbraw/zinc/49/51/38/1090495138.db2.gz TXQOKIUIOLLJKR-CQSZACIVSA-N 1 3 346.393 2.960 20 0 EFADHO COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]CC2)cc(Br)c1[O-] ZINC001579153199 1090528589 /nfs/dbraw/zinc/52/85/89/1090528589.db2.gz SRSANNNHFIBQTG-LLVKDONJSA-N 1 3 343.265 2.643 20 0 EFADHO COc1ccc(NC(=O)CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC001579226244 1090551681 /nfs/dbraw/zinc/55/16/81/1090551681.db2.gz LARZYMPVXLHIOR-GOSISDBHSA-N 1 3 327.428 2.704 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001579284992 1090578561 /nfs/dbraw/zinc/57/85/61/1090578561.db2.gz SZXNSKVAVNCCRU-HNAYVOBHSA-N 1 3 334.460 2.676 20 0 EFADHO CSc1ccc(OC[C@@H](O)CN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC001579393410 1090604344 /nfs/dbraw/zinc/60/43/44/1090604344.db2.gz SXGAZHAOGHEPFO-MAUKXSAKSA-N 1 3 338.517 2.645 20 0 EFADHO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c1 ZINC001579604952 1090641077 /nfs/dbraw/zinc/64/10/77/1090641077.db2.gz GUPBWGLIUNPYBF-UHFFFAOYSA-N 1 3 341.846 2.978 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)N2CCCC2)cc1 ZINC001579667627 1090657519 /nfs/dbraw/zinc/65/75/19/1090657519.db2.gz OTCGQFKEGMALOD-MOPGFXCFSA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@@H](N(C)CC3CC[NH2+]CC3)C2=O)c1 ZINC001579707007 1090667539 /nfs/dbraw/zinc/66/75/39/1090667539.db2.gz YROIXNIAGMSDOR-QGZVFWFLSA-N 1 3 333.451 2.561 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)C2)c1 ZINC001579761026 1090680584 /nfs/dbraw/zinc/68/05/84/1090680584.db2.gz VBTFRNDEMJTFPG-HOJAQTOUSA-N 1 3 343.515 2.711 20 0 EFADHO FC(F)(F)c1ccccc1N1CC[C@@H](NC[C@@H]2CCC[NH2+]C2)C1 ZINC001580022033 1090744925 /nfs/dbraw/zinc/74/49/25/1090744925.db2.gz ZGKAKZWXBJKQMU-ZIAGYGMSSA-N 1 3 327.394 2.873 20 0 EFADHO FC1(F)Oc2ccc(CNCc3cccc4c3CC[NH2+]C4)cc2O1 ZINC001580027685 1090745343 /nfs/dbraw/zinc/74/53/43/1090745343.db2.gz RQGCWVOMFYLJNH-UHFFFAOYSA-N 1 3 332.350 2.944 20 0 EFADHO NC(=O)C[C@@H](NCCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1Cl ZINC001580094221 1090770122 /nfs/dbraw/zinc/77/01/22/1090770122.db2.gz RFJCBJCYFYNBBN-DSZSVDOYSA-N 1 3 335.879 2.767 20 0 EFADHO [NH3+][C@@H](CN[C@@H]1CCc2nc(-c3ccccc3)ncc2C1)CC(F)F ZINC001580131207 1090783747 /nfs/dbraw/zinc/78/37/47/1090783747.db2.gz BHDXPOVZJHHLIZ-HUUCEWRRSA-N 1 3 332.398 2.573 20 0 EFADHO [NH3+][C@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001580175586 1090800722 /nfs/dbraw/zinc/80/07/22/1090800722.db2.gz BKLFETMATHBFJT-FHWLQOOXSA-N 1 3 329.488 2.675 20 0 EFADHO [NH3+]CC1(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC001580243555 1090827680 /nfs/dbraw/zinc/82/76/80/1090827680.db2.gz KYLJHFMTSWDJMZ-UHFFFAOYSA-N 1 3 340.349 2.670 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(Cc2cc(-c3ccccn3)n[nH]2)CC1 ZINC001580247797 1090830217 /nfs/dbraw/zinc/83/02/17/1090830217.db2.gz MTFXZYGFWLPKSD-UHFFFAOYSA-N 1 3 347.466 2.964 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(CC[S@](=O)c2ccccc2)CC1 ZINC001580247848 1090830541 /nfs/dbraw/zinc/83/05/41/1090830541.db2.gz RCQDUBVPKBHIPB-DEOSSOPVSA-N 1 3 342.508 2.787 20 0 EFADHO [NH3+]C[C@@]12CN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CCCC2 ZINC001580255163 1090835404 /nfs/dbraw/zinc/83/54/04/1090835404.db2.gz HVIJLCNHBJFNIO-BJZITVGISA-N 1 3 347.890 2.896 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001580297001 1090853364 /nfs/dbraw/zinc/85/33/64/1090853364.db2.gz CIPLSZMKOVYWFJ-GOSISDBHSA-N 1 3 337.508 2.981 20 0 EFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580672545 1090982544 /nfs/dbraw/zinc/98/25/44/1090982544.db2.gz FTRYQRHELIUNOH-PMACEKPBSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(NC[C@@H]1NCCc2ccccc21)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001580672545 1090982549 /nfs/dbraw/zinc/98/25/49/1090982549.db2.gz FTRYQRHELIUNOH-PMACEKPBSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC001580780101 1091006505 /nfs/dbraw/zinc/00/65/05/1091006505.db2.gz IKEHNBDQYJSVGP-YPMHNXCESA-N 1 3 328.334 2.976 20 0 EFADHO O=C(OCc1ccccc1)N1CCC[C@@H](N[C@@H]2CCC[NH2+]CC2)C1 ZINC001580802595 1091015044 /nfs/dbraw/zinc/01/50/44/1091015044.db2.gz BVAGTSJJSKVMLG-QZTJIDSGSA-N 1 3 331.460 2.519 20 0 EFADHO c1cc(N2CC[NH2+]CC2)oc1CN1CCC(OCC2CCCC2)CC1 ZINC001580890758 1091036490 /nfs/dbraw/zinc/03/64/90/1091036490.db2.gz PLWWMDQGMNZACO-UHFFFAOYSA-N 1 3 347.503 2.860 20 0 EFADHO Cc1cc(C[N@H+](C)CCCC[NH+]2CCCCC2)ccc1-c1nnn[n-]1 ZINC001580923515 1091044014 /nfs/dbraw/zinc/04/40/14/1091044014.db2.gz SJNCIYFIUKYOSR-UHFFFAOYSA-N 1 3 342.491 2.873 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCC[NH+]2CCCCC2)ccc1-c1nnn[n-]1 ZINC001580923515 1091044022 /nfs/dbraw/zinc/04/40/22/1091044022.db2.gz SJNCIYFIUKYOSR-UHFFFAOYSA-N 1 3 342.491 2.873 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC001649801338 1092692117 /nfs/dbraw/zinc/69/21/17/1092692117.db2.gz DUONEGBTZCCJPX-AITUJVMLSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1N1CCN(C)CC1 ZINC001649838311 1092728972 /nfs/dbraw/zinc/72/89/72/1092728972.db2.gz HBAKTUYQERNINW-QUCCMNQESA-N 1 3 344.547 2.839 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448117 1092757193 /nfs/dbraw/zinc/75/71/93/1092757193.db2.gz OIPXRCTYGJDPRD-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448117 1092757206 /nfs/dbraw/zinc/75/72/06/1092757206.db2.gz OIPXRCTYGJDPRD-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@@H](C)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001649880887 1092760335 /nfs/dbraw/zinc/76/03/35/1092760335.db2.gz NIRLFNKMUXDLPR-IAGOWNOFSA-N 1 3 348.510 2.618 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087212411 1092859875 /nfs/dbraw/zinc/85/98/75/1092859875.db2.gz AODLDRPPNIOHNF-GGPKGHCWSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CCCC2)C1 ZINC001087213197 1092873098 /nfs/dbraw/zinc/87/30/98/1092873098.db2.gz JIDDSLJEVOLHOV-LMMKCTJWSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001087213299 1092873319 /nfs/dbraw/zinc/87/33/19/1092873319.db2.gz NUJIVEHGUADBTO-UGXKVIGPSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CCCN(C)C1)c1ccccc1 ZINC001650075321 1092933338 /nfs/dbraw/zinc/93/33/38/1092933338.db2.gz IUPKHAPKUNHEPJ-WMZOPIPTSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001480920326 1092937012 /nfs/dbraw/zinc/93/70/12/1092937012.db2.gz MHFNQBIEQJUFSP-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480920326 1092937020 /nfs/dbraw/zinc/93/70/20/1092937020.db2.gz MHFNQBIEQJUFSP-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001480920327 1092937522 /nfs/dbraw/zinc/93/75/22/1092937522.db2.gz MHFNQBIEQJUFSP-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480920327 1092937528 /nfs/dbraw/zinc/93/75/28/1092937528.db2.gz MHFNQBIEQJUFSP-LJQANCHMSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1 ZINC001087219569 1092973189 /nfs/dbraw/zinc/97/31/89/1092973189.db2.gz DKNJSTUMUXEDHI-BEFAXECRSA-N 1 3 340.471 2.678 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454002 1093040614 /nfs/dbraw/zinc/04/06/14/1093040614.db2.gz IQLPXQNYPLTZAG-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC001075454002 1093040621 /nfs/dbraw/zinc/04/06/21/1093040621.db2.gz IQLPXQNYPLTZAG-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001167627594 1093147243 /nfs/dbraw/zinc/14/72/43/1093147243.db2.gz QELXMNOYLKDGPW-IBGZPJMESA-N 1 3 349.494 2.993 20 0 EFADHO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001167628152 1093148744 /nfs/dbraw/zinc/14/87/44/1093148744.db2.gz WPJDCAOIDYCXTO-IBGZPJMESA-N 1 3 347.503 2.554 20 0 EFADHO Cc1ccc(CC[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001167627073 1093149825 /nfs/dbraw/zinc/14/98/25/1093149825.db2.gz JZQIOVCIVFLLSI-HXUWFJFHSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001167635212 1093167928 /nfs/dbraw/zinc/16/79/28/1093167928.db2.gz LJZBDEVSFMHDIL-HZPDHXFCSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001650360419 1093185363 /nfs/dbraw/zinc/18/53/63/1093185363.db2.gz UAOLRDLJEWZUTA-KFKAGJAMSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@@H]1CN(C[C@@H]([NH3+])CC(F)F)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404291146 1093225425 /nfs/dbraw/zinc/22/54/25/1093225425.db2.gz LCUVYBWHGFHPGP-AIANPOQGSA-N 1 3 325.447 2.952 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CCF)CC2)CC1)N(C)C ZINC001075458868 1093237236 /nfs/dbraw/zinc/23/72/36/1093237236.db2.gz ROKDZVDWZOCVAQ-WMZOPIPTSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CCF)CC2)CC1)N(C)C ZINC001075458868 1093237243 /nfs/dbraw/zinc/23/72/43/1093237243.db2.gz ROKDZVDWZOCVAQ-WMZOPIPTSA-N 1 3 341.515 2.637 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@H+](CCN(C)C)Cc1ccccc1 ZINC001204604111 1093276715 /nfs/dbraw/zinc/27/67/15/1093276715.db2.gz ASNZXKAJONFNRZ-RDJZCZTQSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001204604111 1093276720 /nfs/dbraw/zinc/27/67/20/1093276720.db2.gz ASNZXKAJONFNRZ-RDJZCZTQSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590258853 1093348198 /nfs/dbraw/zinc/34/81/98/1093348198.db2.gz CTTKEVDOVPZQCQ-CQSZACIVSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590258853 1093348204 /nfs/dbraw/zinc/34/82/04/1093348204.db2.gz CTTKEVDOVPZQCQ-CQSZACIVSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590258853 1093348210 /nfs/dbraw/zinc/34/82/10/1093348210.db2.gz CTTKEVDOVPZQCQ-CQSZACIVSA-N 1 3 346.454 2.608 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590258853 1093348217 /nfs/dbraw/zinc/34/82/17/1093348217.db2.gz CTTKEVDOVPZQCQ-CQSZACIVSA-N 1 3 346.454 2.608 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590470104 1093442141 /nfs/dbraw/zinc/44/21/41/1093442141.db2.gz OCDBORMHEDWECD-ZQIUZPCESA-N 1 3 328.464 2.673 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590470104 1093442148 /nfs/dbraw/zinc/44/21/48/1093442148.db2.gz OCDBORMHEDWECD-ZQIUZPCESA-N 1 3 328.464 2.673 20 0 EFADHO Cc1ncc(C[NH3+])c(=N)n1-c1ccc2c(c1)CN(Cc1ccccc1)C2 ZINC001167674612 1093640494 /nfs/dbraw/zinc/64/04/94/1093640494.db2.gz AGIDXRPGVMAYLS-UHFFFAOYSA-N 1 3 345.450 2.635 20 0 EFADHO Cc1cc(-c2nnn[n-]2)cc(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC001591849147 1093887039 /nfs/dbraw/zinc/88/70/39/1093887039.db2.gz RJOOJGBJBASCDZ-UHFFFAOYSA-N 1 3 342.491 2.839 20 0 EFADHO Cc1cc(-c2nn[n-]n2)cc(C)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC001591849147 1093887047 /nfs/dbraw/zinc/88/70/47/1093887047.db2.gz RJOOJGBJBASCDZ-UHFFFAOYSA-N 1 3 342.491 2.839 20 0 EFADHO Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)ccc1-c1nnn[n-]1 ZINC001591966042 1093936525 /nfs/dbraw/zinc/93/65/25/1093936525.db2.gz CNGOXYMDTZLAHP-UHFFFAOYSA-N 1 3 342.491 2.775 20 0 EFADHO Cc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)ccc1-c1nn[n-]n1 ZINC001591966042 1093936528 /nfs/dbraw/zinc/93/65/28/1093936528.db2.gz CNGOXYMDTZLAHP-UHFFFAOYSA-N 1 3 342.491 2.775 20 0 EFADHO [NH3+]CCC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001592743828 1094184367 /nfs/dbraw/zinc/18/43/67/1094184367.db2.gz FAKBRFAFEUAXJO-KRWDZBQOSA-N 1 3 340.406 2.576 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001087245757 1094298339 /nfs/dbraw/zinc/29/83/39/1094298339.db2.gz JNLUVEDYRYEYAH-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001481094905 1094451171 /nfs/dbraw/zinc/45/11/71/1094451171.db2.gz CDKJRVMREKJRDB-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001481094905 1094451179 /nfs/dbraw/zinc/45/11/79/1094451179.db2.gz CDKJRVMREKJRDB-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096371 1094468800 /nfs/dbraw/zinc/46/88/00/1094468800.db2.gz SPRKSFCRMCIVAV-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096371 1094468806 /nfs/dbraw/zinc/46/88/06/1094468806.db2.gz SPRKSFCRMCIVAV-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676823 1094591169 /nfs/dbraw/zinc/59/11/69/1094591169.db2.gz ZNMUBPKCQFAYFR-BQWVTDQKSA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104678820 1094601307 /nfs/dbraw/zinc/60/13/07/1094601307.db2.gz CPDKTNWSYAAZFZ-RTLRUIJZSA-N 1 3 335.536 2.759 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104678819 1094601488 /nfs/dbraw/zinc/60/14/88/1094601488.db2.gz CPDKTNWSYAAZFZ-QLLBUPAMSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001104678815 1094602026 /nfs/dbraw/zinc/60/20/26/1094602026.db2.gz CKKDHNUOCIRYIZ-NLWGTHIKSA-N 1 3 347.547 2.903 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001481110596 1094602953 /nfs/dbraw/zinc/60/29/53/1094602953.db2.gz OPOKJIOOSXSMOT-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001481110596 1094602963 /nfs/dbraw/zinc/60/29/63/1094602963.db2.gz OPOKJIOOSXSMOT-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104682994 1094629666 /nfs/dbraw/zinc/62/96/66/1094629666.db2.gz FHNOUUXNIIESOR-BRWVUGGUSA-N 1 3 341.515 2.541 20 0 EFADHO CC[C@@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684108 1094631416 /nfs/dbraw/zinc/63/14/16/1094631416.db2.gz XVRYNIBYIWNEEQ-BRWVUGGUSA-N 1 3 341.515 2.541 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104690272 1094641821 /nfs/dbraw/zinc/64/18/21/1094641821.db2.gz BOJKAPMSGUKYQK-NXHRZFHOSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCC(C)(C)C)C2)C1 ZINC001112529897 1094763801 /nfs/dbraw/zinc/76/38/01/1094763801.db2.gz UWSVFLKVLUYDEK-LQWHRVPQSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001104731916 1094781328 /nfs/dbraw/zinc/78/13/28/1094781328.db2.gz FQTKRVOCXQLIHL-NVXWUHKLSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCC1CCCC1 ZINC001104731958 1094781727 /nfs/dbraw/zinc/78/17/27/1094781727.db2.gz GBZUDUIBIYDTLC-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001481505850 1094986789 /nfs/dbraw/zinc/98/67/89/1094986789.db2.gz WNZBZIBIBFBBLX-LJQANCHMSA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001481505850 1094986802 /nfs/dbraw/zinc/98/68/02/1094986802.db2.gz WNZBZIBIBFBBLX-LJQANCHMSA-N 1 3 331.504 2.617 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@@H]2CCC[N@H+](CCF)[C@H]21 ZINC001087295726 1095056302 /nfs/dbraw/zinc/05/63/02/1095056302.db2.gz NECTVHGTEQYNCX-GVDBMIGSSA-N 1 3 344.434 2.523 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@@H]2CCC[N@@H+](CCF)[C@H]21 ZINC001087295726 1095056319 /nfs/dbraw/zinc/05/63/19/1095056319.db2.gz NECTVHGTEQYNCX-GVDBMIGSSA-N 1 3 344.434 2.523 20 0 EFADHO CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531574 1095087440 /nfs/dbraw/zinc/08/74/40/1095087440.db2.gz FXTYWJLSZPBJEX-BJLQDIEVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316509 1095290219 /nfs/dbraw/zinc/29/02/19/1095290219.db2.gz SQJQQNIWKWRWBT-FHLIZLRMSA-N 1 3 332.492 2.666 20 0 EFADHO CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1nc[nH]c1C ZINC001087316509 1095290233 /nfs/dbraw/zinc/29/02/33/1095290233.db2.gz SQJQQNIWKWRWBT-FHLIZLRMSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCC3)[C@@H]2C1(C)C ZINC001087316228 1095297770 /nfs/dbraw/zinc/29/77/70/1095297770.db2.gz PBOYIELQVKNSNJ-LZQZEXGQSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C1(C)C ZINC001087316228 1095297776 /nfs/dbraw/zinc/29/77/76/1095297776.db2.gz PBOYIELQVKNSNJ-LZQZEXGQSA-N 1 3 344.503 2.666 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001167835172 1095316812 /nfs/dbraw/zinc/31/68/12/1095316812.db2.gz FBIFRMAWDTVBEA-QGZVFWFLSA-N 1 3 331.504 2.966 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC001100769570 1095603424 /nfs/dbraw/zinc/60/34/24/1095603424.db2.gz QBMBREMMSMCWSK-UHFFFAOYSA-N 1 3 343.924 2.728 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1ccccc1C ZINC001480980784 1095652511 /nfs/dbraw/zinc/65/25/11/1095652511.db2.gz OATVJTSNEIFBGB-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1ccccc1C ZINC001480980784 1095652518 /nfs/dbraw/zinc/65/25/18/1095652518.db2.gz OATVJTSNEIFBGB-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1cccc(F)c1 ZINC001480980634 1095653210 /nfs/dbraw/zinc/65/32/10/1095653210.db2.gz KWXNDTZXNZNLJM-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@@H](C)c1cccc(F)c1 ZINC001480980634 1095653219 /nfs/dbraw/zinc/65/32/19/1095653219.db2.gz KWXNDTZXNZNLJM-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@H+](CCCC3CCCC3)CC2)C1 ZINC000981954961 1095747812 /nfs/dbraw/zinc/74/78/12/1095747812.db2.gz KHTNKPJVOAXKAQ-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[N@@H+](CCCC3CCCC3)CC2)C1 ZINC000981954961 1095747830 /nfs/dbraw/zinc/74/78/30/1095747830.db2.gz KHTNKPJVOAXKAQ-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccc(CC[N@H+]2CCCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000981953448 1095758733 /nfs/dbraw/zinc/75/87/33/1095758733.db2.gz NSPCHSXJUIESMB-IBGZPJMESA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000981953448 1095758741 /nfs/dbraw/zinc/75/87/41/1095758741.db2.gz NSPCHSXJUIESMB-IBGZPJMESA-N 1 3 343.515 2.556 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000981957749 1095793572 /nfs/dbraw/zinc/79/35/72/1095793572.db2.gz SAZZVJBUOLHMMW-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CCCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000981957749 1095793581 /nfs/dbraw/zinc/79/35/81/1095793581.db2.gz SAZZVJBUOLHMMW-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000981957702 1095794135 /nfs/dbraw/zinc/79/41/35/1095794135.db2.gz RILRDILJUQSDIN-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000981957702 1095794151 /nfs/dbraw/zinc/79/41/51/1095794151.db2.gz RILRDILJUQSDIN-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO NCc1nn(-c2ccc([C@]34CC[NH2+][C@@H]3COCC4)cc2)c2ccccc12 ZINC001167698102 1095997891 /nfs/dbraw/zinc/99/78/91/1095997891.db2.gz UFZJREMWEKFTPO-NHCUHLMSSA-N 1 3 348.450 2.504 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2)N(C)C ZINC000981991305 1096004019 /nfs/dbraw/zinc/00/40/19/1096004019.db2.gz CNMFSLCORYLPRE-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2)N(C)C ZINC000981991305 1096004029 /nfs/dbraw/zinc/00/40/29/1096004029.db2.gz CNMFSLCORYLPRE-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CCc1cc2c(nc(Cl)nc2NC(=N)NCCCC[NH3+])s1 ZINC001167877924 1096124684 /nfs/dbraw/zinc/12/46/84/1096124684.db2.gz LORDZWBTAYUJQS-UHFFFAOYSA-N 1 3 326.857 2.582 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCc1ccccc1)N(C)C ZINC001481055478 1096184150 /nfs/dbraw/zinc/18/41/50/1096184150.db2.gz GZMSFXODPGZMDK-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCc1ccccc1)N(C)C ZINC001481055478 1096184155 /nfs/dbraw/zinc/18/41/55/1096184155.db2.gz GZMSFXODPGZMDK-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1[C@H]1CCc2c1cccc2F ZINC001481055133 1096187757 /nfs/dbraw/zinc/18/77/57/1096187757.db2.gz ZVDYPYNLBGBQCD-BEFAXECRSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CC[NH+]3CCCCC3)C2)c(C)c1 ZINC001481669558 1096275447 /nfs/dbraw/zinc/27/54/47/1096275447.db2.gz QGMMXXXZWQXDCY-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001211713644 1096307562 /nfs/dbraw/zinc/30/75/62/1096307562.db2.gz SANSHKMQZSGFIK-NZSAHSFTSA-N 1 3 349.494 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001167900257 1096323572 /nfs/dbraw/zinc/32/35/72/1096323572.db2.gz DTYWALBDVFQGLL-IXDOHACOSA-N 1 3 344.503 2.573 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481705936 1096347670 /nfs/dbraw/zinc/34/76/70/1096347670.db2.gz BJTWBDCUJUJXEJ-GUDVDZBRSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001481705936 1096347680 /nfs/dbraw/zinc/34/76/80/1096347680.db2.gz BJTWBDCUJUJXEJ-GUDVDZBRSA-N 1 3 331.504 2.914 20 0 EFADHO CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(CCCc2ccsc2)C1 ZINC001481738468 1096474268 /nfs/dbraw/zinc/47/42/68/1096474268.db2.gz MAGJLSGTIPDTKA-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001481752942 1096538439 /nfs/dbraw/zinc/53/84/39/1096538439.db2.gz LVIBZWAHRFFAGB-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603651425 1096577750 /nfs/dbraw/zinc/57/77/50/1096577750.db2.gz SDLGRMBYYMWGAV-KDOFPFPSSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603651425 1096577759 /nfs/dbraw/zinc/57/77/59/1096577759.db2.gz SDLGRMBYYMWGAV-KDOFPFPSSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001603658666 1096581557 /nfs/dbraw/zinc/58/15/57/1096581557.db2.gz WIMPDMOVZKSAEB-CQSZACIVSA-N 1 3 340.475 2.639 20 0 EFADHO C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001603658666 1096581565 /nfs/dbraw/zinc/58/15/65/1096581565.db2.gz WIMPDMOVZKSAEB-CQSZACIVSA-N 1 3 340.475 2.639 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001211729609 1096608617 /nfs/dbraw/zinc/60/86/17/1096608617.db2.gz FECLCCCBZXUBTO-IHNWGIHHSA-N 1 3 349.906 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CCC2)C1 ZINC001211729462 1096608815 /nfs/dbraw/zinc/60/88/15/1096608815.db2.gz AEMJMJLMHMWMER-VQTJNVASSA-N 1 3 343.515 2.711 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481772149 1096671912 /nfs/dbraw/zinc/67/19/12/1096671912.db2.gz DGEGPYUDIOJIGJ-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481772148 1096671962 /nfs/dbraw/zinc/67/19/62/1096671962.db2.gz DGEGPYUDIOJIGJ-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001481819623 1096742447 /nfs/dbraw/zinc/74/24/47/1096742447.db2.gz ZPIYBTWTEODXNV-QGZVFWFLSA-N 1 3 335.467 2.625 20 0 EFADHO CN(C)Cc1ccc(Br)c(NC(=N)SCC[NH3+])c1 ZINC001167916371 1096924779 /nfs/dbraw/zinc/92/47/79/1096924779.db2.gz SCUSZHPQOCBPSR-UHFFFAOYSA-N 1 3 331.283 2.549 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001481984162 1097045978 /nfs/dbraw/zinc/04/59/78/1097045978.db2.gz XUKOPOQOLZTOLR-WOJBJXKFSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001482016099 1097088802 /nfs/dbraw/zinc/08/88/02/1097088802.db2.gz SQJSRVAMJOZEHV-DGPDZDFVSA-N 1 3 327.900 2.629 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001482021360 1097100165 /nfs/dbraw/zinc/10/01/65/1097100165.db2.gz SMZMCEHKLNKYSB-LNLFQRSKSA-N 1 3 349.494 2.725 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001482021370 1097100177 /nfs/dbraw/zinc/10/01/77/1097100177.db2.gz SOFDODUJUPECGC-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2)CC1 ZINC001482025848 1097107605 /nfs/dbraw/zinc/10/76/05/1097107605.db2.gz CXOQNSAIOPQHQN-IYARVYRRSA-N 1 3 347.503 2.554 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001605664274 1097185174 /nfs/dbraw/zinc/18/51/74/1097185174.db2.gz XIQKIYOHBNJRCF-HNNXBMFYSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1-c1nnn[n-]1 ZINC001605664274 1097185177 /nfs/dbraw/zinc/18/51/77/1097185177.db2.gz XIQKIYOHBNJRCF-HNNXBMFYSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001605664274 1097185183 /nfs/dbraw/zinc/18/51/83/1097185183.db2.gz XIQKIYOHBNJRCF-HNNXBMFYSA-N 1 3 342.491 2.777 20 0 EFADHO Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)ccc1-c1nn[n-]n1 ZINC001605664274 1097185185 /nfs/dbraw/zinc/18/51/85/1097185185.db2.gz XIQKIYOHBNJRCF-HNNXBMFYSA-N 1 3 342.491 2.777 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001482107601 1097268936 /nfs/dbraw/zinc/26/89/36/1097268936.db2.gz KDOGEUMXAASETJ-KSSFIOAISA-N 1 3 347.478 2.639 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001482108803 1097269855 /nfs/dbraw/zinc/26/98/55/1097269855.db2.gz XDMIVPXEHYIVPI-IFXJQAMLSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cccc(F)c1 ZINC001482141757 1097396280 /nfs/dbraw/zinc/39/62/80/1097396280.db2.gz GNWFYJGOERLNNJ-HNNXBMFYSA-N 1 3 337.483 2.646 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccccc1C1CC1 ZINC001482144992 1097401439 /nfs/dbraw/zinc/40/14/39/1097401439.db2.gz VIELDZGLJHTTSJ-SJORKVTESA-N 1 3 343.515 2.748 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH+](C)CC1 ZINC001609123771 1098156608 /nfs/dbraw/zinc/15/66/08/1098156608.db2.gz LXCFLVQRZAPSGD-SCLBCKFNSA-N 1 3 340.475 2.564 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH+](C)CC1 ZINC001609123771 1098156613 /nfs/dbraw/zinc/15/66/13/1098156613.db2.gz LXCFLVQRZAPSGD-SCLBCKFNSA-N 1 3 340.475 2.564 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001104813041 1098657990 /nfs/dbraw/zinc/65/79/90/1098657990.db2.gz YBKIUMXFMFGRPY-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832629 1098715930 /nfs/dbraw/zinc/71/59/30/1098715930.db2.gz LEXZMCZFMXMSDM-RTBURBONSA-N 1 3 335.536 2.759 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939038 1099095498 /nfs/dbraw/zinc/09/54/98/1099095498.db2.gz GSIWMSMDKGYWGY-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001482294880 1099175295 /nfs/dbraw/zinc/17/52/95/1099175295.db2.gz NNUNPGPJYQAPLM-WMZOPIPTSA-N 1 3 325.541 2.980 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001481306634 1099196245 /nfs/dbraw/zinc/19/62/45/1099196245.db2.gz YCRSALUGBBRRJR-CYBMUJFWSA-N 1 3 343.874 2.930 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1)N(C)C ZINC001112524456 1099237016 /nfs/dbraw/zinc/23/70/16/1099237016.db2.gz PGMHXRZCLXPOOF-NSHGMRRFSA-N 1 3 335.536 2.591 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001105067324 1099541914 /nfs/dbraw/zinc/54/19/14/1099541914.db2.gz WYPBJIDMNRTXDE-MBYZQOEFSA-N 1 3 341.927 2.688 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001105067263 1099542180 /nfs/dbraw/zinc/54/21/80/1099542180.db2.gz UHRMWQMIKQJQSY-QRVBRYPASA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]([NH2+]CC1CC1)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001029172877 1099628394 /nfs/dbraw/zinc/62/83/94/1099628394.db2.gz INQAEVGXKCUPAX-INIZCTEOSA-N 1 3 343.515 2.989 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1 ZINC001203437109 1099692504 /nfs/dbraw/zinc/69/25/04/1099692504.db2.gz ALVSTLIDZIGKEA-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001482342729 1099700461 /nfs/dbraw/zinc/70/04/61/1099700461.db2.gz CZYLWVWTBWLZHI-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1c1ccccc1 ZINC001211674377 1099725025 /nfs/dbraw/zinc/72/50/25/1099725025.db2.gz BZXFMYXLQKASNR-YSIASYRMSA-N 1 3 343.515 2.713 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001211674734 1099749351 /nfs/dbraw/zinc/74/93/51/1099749351.db2.gz IBQPBLCJYZKUDV-BHWLATHGSA-N 1 3 349.906 2.663 20 0 EFADHO CCOC(=O)N1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167994517 1099759437 /nfs/dbraw/zinc/75/94/37/1099759437.db2.gz HFNUIXFFEBCBEY-DFNIBXOVSA-N 1 3 349.519 2.945 20 0 EFADHO CCOC(=O)N1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1 ZINC001167994517 1099759445 /nfs/dbraw/zinc/75/94/45/1099759445.db2.gz HFNUIXFFEBCBEY-DFNIBXOVSA-N 1 3 349.519 2.945 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1)N(C)C ZINC001211675738 1099777419 /nfs/dbraw/zinc/77/74/19/1099777419.db2.gz YDRCOZPTNLZIAT-ZCNNSNEGSA-N 1 3 345.531 2.957 20 0 EFADHO F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1N1CCCC1 ZINC001168005539 1100109539 /nfs/dbraw/zinc/10/95/39/1100109539.db2.gz JJOZRWTYMCHGJL-VYFYYAICSA-N 1 3 335.511 2.900 20 0 EFADHO F[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1N1CCCC1 ZINC001168005539 1100109542 /nfs/dbraw/zinc/10/95/42/1100109542.db2.gz JJOZRWTYMCHGJL-VYFYYAICSA-N 1 3 335.511 2.900 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168011829 1100315957 /nfs/dbraw/zinc/31/59/57/1100315957.db2.gz SVZXEMQKSIZHAV-LPKWFMKBSA-N 1 3 341.499 2.638 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168011829 1100315967 /nfs/dbraw/zinc/31/59/67/1100315967.db2.gz SVZXEMQKSIZHAV-LPKWFMKBSA-N 1 3 341.499 2.638 20 0 EFADHO COC(=O)[C@H]1C[C@@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168014065 1100413929 /nfs/dbraw/zinc/41/39/29/1100413929.db2.gz JKHXXAINJCKRNF-LFEHRJTNSA-N 1 3 330.472 2.969 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396595 1100593227 /nfs/dbraw/zinc/59/32/27/1100593227.db2.gz QAQMVMAPSREZMC-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396595 1100593233 /nfs/dbraw/zinc/59/32/33/1100593233.db2.gz QAQMVMAPSREZMC-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(=O)N1CC[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168018304 1100597167 /nfs/dbraw/zinc/59/71/67/1100597167.db2.gz CPRDGXONUXJPBF-MDZRGWNJSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001087671615 1100652835 /nfs/dbraw/zinc/65/28/35/1100652835.db2.gz HJDBQEDPQPDGJA-OTWHNJEPSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCC1CC1 ZINC001087671615 1100652837 /nfs/dbraw/zinc/65/28/37/1100652837.db2.gz HJDBQEDPQPDGJA-OTWHNJEPSA-N 1 3 333.520 2.630 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1Cc1ccsc1 ZINC001087701949 1100680049 /nfs/dbraw/zinc/68/00/49/1100680049.db2.gz WXKMTKOWACDDMM-LEUOFYLZSA-N 1 3 349.544 2.948 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1Cc1ccsc1 ZINC001087701949 1100680051 /nfs/dbraw/zinc/68/00/51/1100680051.db2.gz WXKMTKOWACDDMM-LEUOFYLZSA-N 1 3 349.544 2.948 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCCF ZINC001087723277 1100700635 /nfs/dbraw/zinc/70/06/35/1100700635.db2.gz JRCPQSZKYBEJJE-DAYGRLMNSA-N 1 3 345.478 2.528 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCCF ZINC001087723277 1100700641 /nfs/dbraw/zinc/70/06/41/1100700641.db2.gz JRCPQSZKYBEJJE-DAYGRLMNSA-N 1 3 345.478 2.528 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@@H+]1CCCF ZINC001087749748 1100727948 /nfs/dbraw/zinc/72/79/48/1100727948.db2.gz YCGFMCZIRUCNTK-YESZJQIVSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H](C)N2CCCCCC2)CC[N@H+]1CCCF ZINC001087749748 1100727951 /nfs/dbraw/zinc/72/79/51/1100727951.db2.gz YCGFMCZIRUCNTK-YESZJQIVSA-N 1 3 327.488 2.580 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1CC ZINC001087792182 1100775531 /nfs/dbraw/zinc/77/55/31/1100775531.db2.gz QXOXKLGMMLHCRG-KSZLIROESA-N 1 3 341.515 2.970 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087792182 1100775535 /nfs/dbraw/zinc/77/55/35/1100775535.db2.gz QXOXKLGMMLHCRG-KSZLIROESA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1Cc1csc(C)c1 ZINC001087799498 1100784231 /nfs/dbraw/zinc/78/42/31/1100784231.db2.gz XZSLTIDNIPBGCW-DLBZAZTESA-N 1 3 347.528 2.621 20 0 EFADHO C[C@@H]1CC(N2CCOC[C@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039403 1101086832 /nfs/dbraw/zinc/08/68/32/1101086832.db2.gz DVIPSMGVGMKIOE-MBOZVWFJSA-N 1 3 332.488 2.511 20 0 EFADHO CO[C@@H]1CN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1OC ZINC001168039852 1101088835 /nfs/dbraw/zinc/08/88/35/1101088835.db2.gz IARWZVUYJOGYTO-SMOSDQRPSA-N 1 3 332.488 2.774 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993123 1101167299 /nfs/dbraw/zinc/16/72/99/1101167299.db2.gz AJPMYCLGHCWJEZ-QYZOEREBSA-N 1 3 335.536 2.543 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@H]2C1 ZINC001087993123 1101167302 /nfs/dbraw/zinc/16/73/02/1101167302.db2.gz AJPMYCLGHCWJEZ-QYZOEREBSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088002755 1101178653 /nfs/dbraw/zinc/17/86/53/1101178653.db2.gz RRTRAUJXAQRMBB-SQNIBIBYSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088002755 1101178656 /nfs/dbraw/zinc/17/86/56/1101178656.db2.gz RRTRAUJXAQRMBB-SQNIBIBYSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214170 1101289624 /nfs/dbraw/zinc/28/96/24/1101289624.db2.gz NXGYINXIHCIYIG-XLIONFOSSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214170 1101289630 /nfs/dbraw/zinc/28/96/30/1101289630.db2.gz NXGYINXIHCIYIG-XLIONFOSSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H](C(=O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213760 1101289849 /nfs/dbraw/zinc/28/98/49/1101289849.db2.gz GDHBTPKIDPEUOB-KRWDZBQOSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H](C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213760 1101289857 /nfs/dbraw/zinc/28/98/57/1101289857.db2.gz GDHBTPKIDPEUOB-KRWDZBQOSA-N 1 3 333.520 2.728 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608340 1101400749 /nfs/dbraw/zinc/40/07/49/1101400749.db2.gz HFRYLVYLURPNGI-SFTDATJTSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608340 1101400753 /nfs/dbraw/zinc/40/07/53/1101400753.db2.gz HFRYLVYLURPNGI-SFTDATJTSA-N 1 3 327.516 2.926 20 0 EFADHO CCc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000066994798 1101478446 /nfs/dbraw/zinc/47/84/46/1101478446.db2.gz HNTZFVHIUWVYOU-UHFFFAOYSA-N 1 3 339.483 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001088095475 1101508889 /nfs/dbraw/zinc/50/88/89/1101508889.db2.gz PQVUDVZLWUHHMA-FGTMMUONSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)N(C)C ZINC001088095475 1101508894 /nfs/dbraw/zinc/50/88/94/1101508894.db2.gz PQVUDVZLWUHHMA-FGTMMUONSA-N 1 3 337.552 2.789 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001088105989 1101559534 /nfs/dbraw/zinc/55/95/34/1101559534.db2.gz KCYRPFXGSQBGCZ-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001088105989 1101559541 /nfs/dbraw/zinc/55/95/41/1101559541.db2.gz KCYRPFXGSQBGCZ-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106729 1101560044 /nfs/dbraw/zinc/56/00/44/1101560044.db2.gz OBLGEELTSLPYPZ-QRQLOZEOSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106729 1101560056 /nfs/dbraw/zinc/56/00/56/1101560056.db2.gz OBLGEELTSLPYPZ-QRQLOZEOSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107273 1101562887 /nfs/dbraw/zinc/56/28/87/1101562887.db2.gz PNWMNJYDIMAELT-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107273 1101562895 /nfs/dbraw/zinc/56/28/95/1101562895.db2.gz PNWMNJYDIMAELT-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO CC1CCC(C[N@@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC1 ZINC001088120831 1101603478 /nfs/dbraw/zinc/60/34/78/1101603478.db2.gz AAXGBBMKAWSMMO-HIEASXQVSA-N 1 3 344.503 2.559 20 0 EFADHO CC1CCC(C[N@H+]2CC[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@@H]3C2)CC1 ZINC001088120831 1101603485 /nfs/dbraw/zinc/60/34/85/1101603485.db2.gz AAXGBBMKAWSMMO-HIEASXQVSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129894 1101623599 /nfs/dbraw/zinc/62/35/99/1101623599.db2.gz LPHOGDIGPUYTOW-AABGKKOBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129894 1101623604 /nfs/dbraw/zinc/62/36/04/1101623604.db2.gz LPHOGDIGPUYTOW-AABGKKOBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001211278116 1101625700 /nfs/dbraw/zinc/62/57/00/1101625700.db2.gz PSFIBISOEQBPIB-QGZVFWFLSA-N 1 3 337.533 2.602 20 0 EFADHO CCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319281 1101712866 /nfs/dbraw/zinc/71/28/66/1101712866.db2.gz LUTIWPBNPORADP-KURKYZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)NCC=C(Cl)Cl ZINC001496574528 1101783435 /nfs/dbraw/zinc/78/34/35/1101783435.db2.gz HOPMCFWCHVDOLF-ZDUSSCGKSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@@H+]1C ZINC001655737456 1101882899 /nfs/dbraw/zinc/88/28/99/1101882899.db2.gz MZPIXZTUTXGHPT-NVXWUHKLSA-N 1 3 335.455 2.993 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2-n2nnc3ccccc32)CC[N@H+]1C ZINC001655737456 1101882917 /nfs/dbraw/zinc/88/29/17/1101882917.db2.gz MZPIXZTUTXGHPT-NVXWUHKLSA-N 1 3 335.455 2.993 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C[NH2+]CC1CC1 ZINC001075366824 1101979046 /nfs/dbraw/zinc/97/90/46/1101979046.db2.gz JCYSTJXYAKUYKC-UZLBHIALSA-N 1 3 343.515 2.846 20 0 EFADHO CC(C)[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001075367153 1101981476 /nfs/dbraw/zinc/98/14/76/1101981476.db2.gz NOZMCWRCAKTBPB-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)N1CCCCC1)CC2 ZINC001271513191 1102047255 /nfs/dbraw/zinc/04/72/55/1102047255.db2.gz PLJFNRGDUQIBRN-LJQANCHMSA-N 1 3 341.499 2.768 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001209835538 1102049094 /nfs/dbraw/zinc/04/90/94/1102049094.db2.gz CIUPNQJGIWNALX-URPWPPKMSA-N 1 3 338.455 2.636 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001209835539 1102049812 /nfs/dbraw/zinc/04/98/12/1102049812.db2.gz CIUPNQJGIWNALX-WMTBXTEMSA-N 1 3 338.455 2.636 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC001271521484 1102059977 /nfs/dbraw/zinc/05/99/77/1102059977.db2.gz VQWQYLYPCVWKLX-ZSYWTGECSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC001271521484 1102059990 /nfs/dbraw/zinc/05/99/90/1102059990.db2.gz VQWQYLYPCVWKLX-ZSYWTGECSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115574832 1102071081 /nfs/dbraw/zinc/07/10/81/1102071081.db2.gz SIMXGWJHVIWUTQ-OAHLLOKOSA-N 1 3 327.488 2.628 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001167223875 1102079180 /nfs/dbraw/zinc/07/91/80/1102079180.db2.gz COHNOZZYYUEOBG-MRXNPFEDSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN2CCC[C@H]2C)CC1 ZINC001167223841 1102079421 /nfs/dbraw/zinc/07/94/21/1102079421.db2.gz BGVQOCITCAVQLR-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1 ZINC001167224897 1102081327 /nfs/dbraw/zinc/08/13/27/1102081327.db2.gz MJRJMXMGKWVGPT-QGZVFWFLSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCc3cccs3)CC2)C1 ZINC001167232738 1102100393 /nfs/dbraw/zinc/10/03/93/1102100393.db2.gz OMPGWIZTIFEHDR-INIZCTEOSA-N 1 3 349.544 2.509 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)C1 ZINC001167232733 1102101132 /nfs/dbraw/zinc/10/11/32/1102101132.db2.gz OLDFNZXIBKQFOD-KRWDZBQOSA-N 1 3 335.536 2.785 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001167257595 1102160117 /nfs/dbraw/zinc/16/01/17/1102160117.db2.gz CNWQDWKYRCBMPR-SFHVURJKSA-N 1 3 331.504 2.711 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC001167260840 1102185298 /nfs/dbraw/zinc/18/52/98/1102185298.db2.gz MTRMOWRGLWFPOJ-SFHVURJKSA-N 1 3 349.494 2.850 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001271675908 1102235606 /nfs/dbraw/zinc/23/56/06/1102235606.db2.gz KDTAQZCTXFEJQX-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001271676240 1102236038 /nfs/dbraw/zinc/23/60/38/1102236038.db2.gz LPHZWUNXNFWQBS-HXUWFJFHSA-N 1 3 346.519 2.561 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001167480490 1102298980 /nfs/dbraw/zinc/29/89/80/1102298980.db2.gz HQUKXMIBBSODST-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001167481038 1102311791 /nfs/dbraw/zinc/31/17/91/1102311791.db2.gz XTQAIPRCLFPHCR-OAHLLOKOSA-N 1 3 345.478 2.640 20 0 EFADHO CCOc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000075759705 1102568888 /nfs/dbraw/zinc/56/88/88/1102568888.db2.gz RHXZKKNLNSEZRT-UHFFFAOYSA-N 1 3 340.471 2.522 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104287294 1102580983 /nfs/dbraw/zinc/58/09/83/1102580983.db2.gz BFLHGFALVQWMFQ-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104288355 1102598503 /nfs/dbraw/zinc/59/85/03/1102598503.db2.gz WUCSWPZAMKMSTE-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)cc2C)C1 ZINC001480904577 1102759227 /nfs/dbraw/zinc/75/92/27/1102759227.db2.gz IWRBLWHHFFZLHT-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)cc2C)C1 ZINC001480904577 1102759240 /nfs/dbraw/zinc/75/92/40/1102759240.db2.gz IWRBLWHHFFZLHT-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001210745226 1102808465 /nfs/dbraw/zinc/80/84/65/1102808465.db2.gz ZRZVKSMYZSGVGY-CYBMUJFWSA-N 1 3 336.307 2.618 20 0 EFADHO CC(C)(C(=O)N1CCCCC[C@H]([NH2+]CCF)C1)N1CCCCC1 ZINC001088315091 1102868704 /nfs/dbraw/zinc/86/87/04/1102868704.db2.gz NYRLUOCRVJVRST-INIZCTEOSA-N 1 3 327.488 2.581 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210811638 1102889732 /nfs/dbraw/zinc/88/97/32/1102889732.db2.gz PMANDDDYXLQIRZ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088338497 1103012416 /nfs/dbraw/zinc/01/24/16/1103012416.db2.gz HGTRYJHVEBNMSR-INIZCTEOSA-N 1 3 341.515 2.970 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088338497 1103012431 /nfs/dbraw/zinc/01/24/31/1103012431.db2.gz HGTRYJHVEBNMSR-INIZCTEOSA-N 1 3 341.515 2.970 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CC2 ZINC001271916960 1103063139 /nfs/dbraw/zinc/06/31/39/1103063139.db2.gz QHYGIKRIEDHFGP-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CC2 ZINC001271916960 1103063157 /nfs/dbraw/zinc/06/31/57/1103063157.db2.gz QHYGIKRIEDHFGP-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271931306 1103098174 /nfs/dbraw/zinc/09/81/74/1103098174.db2.gz NMRFMXLTTNVNLM-WSTZPKSXSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001271931306 1103098191 /nfs/dbraw/zinc/09/81/91/1103098191.db2.gz NMRFMXLTTNVNLM-WSTZPKSXSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001483244594 1103133604 /nfs/dbraw/zinc/13/36/04/1103133604.db2.gz UPJRJGUYDISBDM-LSDHHAIUSA-N 1 3 333.451 2.609 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001483263395 1103183422 /nfs/dbraw/zinc/18/34/22/1103183422.db2.gz SHMUDEWBIQGEIO-OGHNNQOOSA-N 1 3 341.446 2.706 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001088382057 1103339655 /nfs/dbraw/zinc/33/96/55/1103339655.db2.gz SXOUOOVJVMGIFL-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2cncc(C)c2)C1)N(C)C ZINC001088383694 1103349729 /nfs/dbraw/zinc/34/97/29/1103349729.db2.gz KVBRBGYAZSPAPV-OALUTQOASA-N 1 3 346.519 2.591 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088411663 1103487993 /nfs/dbraw/zinc/48/79/93/1103487993.db2.gz MVSNUYAYBWNNGU-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088411663 1103487998 /nfs/dbraw/zinc/48/79/98/1103487998.db2.gz MVSNUYAYBWNNGU-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101443302 1103492488 /nfs/dbraw/zinc/49/24/88/1103492488.db2.gz DYONIAVHCZAPOI-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001101443302 1103492500 /nfs/dbraw/zinc/49/25/00/1103492500.db2.gz DYONIAVHCZAPOI-QUCCMNQESA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC001483393186 1103586230 /nfs/dbraw/zinc/58/62/30/1103586230.db2.gz NGNYMWCSELVOKN-MRXNPFEDSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H](NCCF)C1)[NH+]1CCCCC1 ZINC001088431370 1103589171 /nfs/dbraw/zinc/58/91/71/1103589171.db2.gz RPOQLZWXQCMVMP-QZTJIDSGSA-N 1 3 341.515 2.827 20 0 EFADHO CN1CCN(c2cc(C[NH2+]Cc3ccccc3Cl)ccn2)CC1 ZINC000078459457 1103717426 /nfs/dbraw/zinc/71/74/26/1103717426.db2.gz DSDZJJVSVDYMMQ-UHFFFAOYSA-N 1 3 330.863 2.777 20 0 EFADHO C[NH+]1CCN(c2cc(CNCc3ccccc3Cl)ccn2)CC1 ZINC000078459457 1103717436 /nfs/dbraw/zinc/71/74/36/1103717436.db2.gz DSDZJJVSVDYMMQ-UHFFFAOYSA-N 1 3 330.863 2.777 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001105427443 1103752005 /nfs/dbraw/zinc/75/20/05/1103752005.db2.gz MDKSKCRVNQLZMB-SBHAEUEKSA-N 1 3 343.515 2.541 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001483504174 1103856342 /nfs/dbraw/zinc/85/63/42/1103856342.db2.gz HXHIDIFASIDDGO-MRXNPFEDSA-N 1 3 343.874 2.757 20 0 EFADHO CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001483560505 1103944286 /nfs/dbraw/zinc/94/42/86/1103944286.db2.gz FLDHIGYOCYROAM-LEOMRAHMSA-N 1 3 335.536 2.781 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ncccc1C)N(C)C ZINC001663119411 1103994284 /nfs/dbraw/zinc/99/42/84/1103994284.db2.gz HRNGGSKCQXISQJ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@H]1CCC[N@H+]1Cc1ncccc1C)N(C)C ZINC001663119411 1103994291 /nfs/dbraw/zinc/99/42/91/1103994291.db2.gz HRNGGSKCQXISQJ-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2sccc2Cl)C1 ZINC001100901745 1104031777 /nfs/dbraw/zinc/03/17/77/1104031777.db2.gz LZLSZLCWMVJSKX-UHFFFAOYSA-N 1 3 343.924 2.728 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212221 1104044102 /nfs/dbraw/zinc/04/41/02/1104044102.db2.gz TVCRASMMAZTNHS-WLBISTCBSA-N 1 3 349.441 2.662 20 0 EFADHO OC1(c2ccc(F)cc2)CC[NH+](C2CCN(CC3CC3)CC2)CC1 ZINC001168380899 1104137403 /nfs/dbraw/zinc/13/74/03/1104137403.db2.gz VHJBXIIDWKTIEX-UHFFFAOYSA-N 1 3 332.463 2.984 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@](C[NH2+]CC(C)C)(c2ccccc2)C1 ZINC001105442441 1104156101 /nfs/dbraw/zinc/15/61/01/1104156101.db2.gz GWAXQFDOZZJDHS-TYKWCNGQSA-N 1 3 345.531 2.790 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(CC)CC)C1 ZINC001105443035 1104159663 /nfs/dbraw/zinc/15/96/63/1104159663.db2.gz UFADPEDNMZTVJZ-PUZFROQSSA-N 1 3 331.504 2.544 20 0 EFADHO O=C(NC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)C1CCCC1 ZINC001168393147 1104194209 /nfs/dbraw/zinc/19/42/09/1104194209.db2.gz XETKAHSGXCSUOO-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO COc1ccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168395175 1104199027 /nfs/dbraw/zinc/19/90/27/1104199027.db2.gz OWCNCFSAZPXLKE-UHFFFAOYSA-N 1 3 345.487 2.808 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001409574860 1104313534 /nfs/dbraw/zinc/31/35/34/1104313534.db2.gz XMPHDOFZVBJRCF-MJGOQNOKSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001409574860 1104313544 /nfs/dbraw/zinc/31/35/44/1104313544.db2.gz XMPHDOFZVBJRCF-MJGOQNOKSA-N 1 3 333.520 2.560 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CCc1ccccc1 ZINC001409576014 1104316454 /nfs/dbraw/zinc/31/64/54/1104316454.db2.gz NHWOBJSBDDETPK-GOSISDBHSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CCc1ccccc1 ZINC001409576014 1104316465 /nfs/dbraw/zinc/31/64/65/1104316465.db2.gz NHWOBJSBDDETPK-GOSISDBHSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cc2ccccc2o1 ZINC001409629829 1104555124 /nfs/dbraw/zinc/55/51/24/1104555124.db2.gz PYASOFUZUAYHCT-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088563635 1104556033 /nfs/dbraw/zinc/55/60/33/1104556033.db2.gz XXAASHUXMIPFHU-NZSAHSFTSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088563635 1104556041 /nfs/dbraw/zinc/55/60/41/1104556041.db2.gz XXAASHUXMIPFHU-NZSAHSFTSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622142 1104673431 /nfs/dbraw/zinc/67/34/31/1104673431.db2.gz FTURDWWJPUDIAZ-HNNXBMFYSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC000081045656 1104710853 /nfs/dbraw/zinc/71/08/53/1104710853.db2.gz PZGPHCYZZCHBHI-SJORKVTESA-N 1 3 329.488 2.813 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)[C@@H]2C)CC[N@@H+]1C ZINC001088579104 1104778089 /nfs/dbraw/zinc/77/80/89/1104778089.db2.gz NXDBOXLHUNWWOM-BTHPGYMESA-N 1 3 343.515 2.804 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)[C@@H]2C)CC[N@H+]1C ZINC001088579104 1104778096 /nfs/dbraw/zinc/77/80/96/1104778096.db2.gz NXDBOXLHUNWWOM-BTHPGYMESA-N 1 3 343.515 2.804 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000081329614 1104789600 /nfs/dbraw/zinc/78/96/00/1104789600.db2.gz NDMRNAAEOICDKL-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000081329614 1104789608 /nfs/dbraw/zinc/78/96/08/1104789608.db2.gz NDMRNAAEOICDKL-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)[C@@H]1C ZINC001088605106 1104851024 /nfs/dbraw/zinc/85/10/24/1104851024.db2.gz HEZSNMLOHXCKFS-YZGWKJHDSA-N 1 3 343.515 2.683 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)[C@@H]1C ZINC001088605106 1104851033 /nfs/dbraw/zinc/85/10/33/1104851033.db2.gz HEZSNMLOHXCKFS-YZGWKJHDSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001482677975 1104881322 /nfs/dbraw/zinc/88/13/22/1104881322.db2.gz JMCHKABFEHIPIM-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001482691736 1104936427 /nfs/dbraw/zinc/93/64/27/1104936427.db2.gz DPQPBNCYMDNJPN-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C/Cl ZINC001482691736 1104936432 /nfs/dbraw/zinc/93/64/32/1104936432.db2.gz DPQPBNCYMDNJPN-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001482839466 1105078530 /nfs/dbraw/zinc/07/85/30/1105078530.db2.gz JWPOMNYBEKUNBF-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001482839476 1105078808 /nfs/dbraw/zinc/07/88/08/1105078808.db2.gz JWPOMNYBEKUNBF-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CCNCc1cc(C)ccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482944146 1105222194 /nfs/dbraw/zinc/22/21/94/1105222194.db2.gz WLESLCCCJGZVPP-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@H](C(C)C)N(C)C ZINC001668623034 1105333206 /nfs/dbraw/zinc/33/32/06/1105333206.db2.gz HSDBOECSSZOBQX-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000988956607 1105400199 /nfs/dbraw/zinc/40/01/99/1105400199.db2.gz SCWRUTGCGWRPDN-WBVHZDCISA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957943 1105401266 /nfs/dbraw/zinc/40/12/66/1105401266.db2.gz GNUUHJLTMTWFEE-QAPCUYQASA-N 1 3 347.478 2.697 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988963803 1105407500 /nfs/dbraw/zinc/40/75/00/1105407500.db2.gz YZVQYTXNIUXZPT-LPHOPBHVSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988964234 1105408378 /nfs/dbraw/zinc/40/83/78/1105408378.db2.gz AIYNMNUUTULJGY-FUHWJXTLSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN(C)C1CCC1 ZINC000988971118 1105413368 /nfs/dbraw/zinc/41/33/68/1105413368.db2.gz ZFVYLILTXGMBFW-WMLDXEAASA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001030019546 1105567225 /nfs/dbraw/zinc/56/72/25/1105567225.db2.gz WYSFGBMNPBUHOU-JCGIZDLHSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001030019519 1105569428 /nfs/dbraw/zinc/56/94/28/1105569428.db2.gz HZBOLXKQEFCDPD-JCGIZDLHSA-N 1 3 335.467 2.808 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000897570536 1105757457 /nfs/dbraw/zinc/75/74/57/1105757457.db2.gz VVFSOLIDMWGYIG-IEBWSBKVSA-N 1 3 347.503 2.677 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105566609 1105944471 /nfs/dbraw/zinc/94/44/71/1105944471.db2.gz QLZSJSUWDATBPD-KRWDZBQOSA-N 1 3 330.476 2.503 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105575279 1105962711 /nfs/dbraw/zinc/96/27/11/1105962711.db2.gz XGMYYRZPPWGWTE-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CC2)C3)CCC1 ZINC001040236313 1106019815 /nfs/dbraw/zinc/01/98/15/1106019815.db2.gz LVVHSYKGXQTHES-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CC2)C3)CCC1 ZINC001040236313 1106019820 /nfs/dbraw/zinc/01/98/20/1106019820.db2.gz LVVHSYKGXQTHES-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000897960887 1106168492 /nfs/dbraw/zinc/16/84/92/1106168492.db2.gz DXLKKNWRDIGHJI-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000897960887 1106168493 /nfs/dbraw/zinc/16/84/93/1106168493.db2.gz DXLKKNWRDIGHJI-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451791 1106213992 /nfs/dbraw/zinc/21/39/92/1106213992.db2.gz WBCUHJAZUWKMGU-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451089 1106219101 /nfs/dbraw/zinc/21/91/01/1106219101.db2.gz QYGIWNDBSTXZKG-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451085 1106219193 /nfs/dbraw/zinc/21/91/93/1106219193.db2.gz QYGIWNDBSTXZKG-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451192 1106219928 /nfs/dbraw/zinc/21/99/28/1106219928.db2.gz RZPTUFZQBFBLGT-HOTGVXAUSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H]2CCOC23CCOCC3)CC1 ZINC000898114729 1106235191 /nfs/dbraw/zinc/23/51/91/1106235191.db2.gz ALHCIQMUCBYJBG-NEWSRXKRSA-N 1 3 336.520 2.957 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000989457890 1106278819 /nfs/dbraw/zinc/27/88/19/1106278819.db2.gz XSUIGFDHVTVPFW-ROUUACIJSA-N 1 3 341.515 2.923 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000989457890 1106278821 /nfs/dbraw/zinc/27/88/21/1106278821.db2.gz XSUIGFDHVTVPFW-ROUUACIJSA-N 1 3 341.515 2.923 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000989483197 1106360382 /nfs/dbraw/zinc/36/03/82/1106360382.db2.gz PAIXGSKAIZGDSZ-ZWKOTPCHSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989483197 1106360384 /nfs/dbraw/zinc/36/03/84/1106360384.db2.gz PAIXGSKAIZGDSZ-ZWKOTPCHSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490871 1106364005 /nfs/dbraw/zinc/36/40/05/1106364005.db2.gz LTDILHBTOUKFSC-GOSISDBHSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491407 1106365469 /nfs/dbraw/zinc/36/54/69/1106365469.db2.gz GHWPERCTNAULSO-RHSMWYFYSA-N 1 3 330.476 2.502 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CC1CC[NH+](C)CC1 ZINC000989524868 1106402325 /nfs/dbraw/zinc/40/23/25/1106402325.db2.gz ZJVOWFQLMSBJMK-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)C1CCC1 ZINC001040240458 1106449772 /nfs/dbraw/zinc/44/97/72/1106449772.db2.gz GNOWIVJQESRUEM-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)C1CCC1 ZINC001040240458 1106449775 /nfs/dbraw/zinc/44/97/75/1106449775.db2.gz GNOWIVJQESRUEM-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989604645 1106481124 /nfs/dbraw/zinc/48/11/24/1106481124.db2.gz DNQTUUCMKHMOKG-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605811 1106481646 /nfs/dbraw/zinc/48/16/46/1106481646.db2.gz MNHMQXUYDHXPSE-PKOBYXMFSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606632 1106482048 /nfs/dbraw/zinc/48/20/48/1106482048.db2.gz SVVNQQCSNXFMRR-AZUAARDMSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000989607066 1106482520 /nfs/dbraw/zinc/48/25/20/1106482520.db2.gz ZHNQMWKHHLWDTH-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)C1 ZINC000989661808 1106523311 /nfs/dbraw/zinc/52/33/11/1106523311.db2.gz MRNMUXFJTTWLAX-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(Cc3ccccc3C3CC3)CC2)C1 ZINC000989661808 1106523314 /nfs/dbraw/zinc/52/33/14/1106523314.db2.gz MRNMUXFJTTWLAX-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000989728517 1106601655 /nfs/dbraw/zinc/60/16/55/1106601655.db2.gz MOSZXHVHSNDPHT-QZTJIDSGSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728710 1106602574 /nfs/dbraw/zinc/60/25/74/1106602574.db2.gz SJPQZFGSUAMPSX-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728710 1106602575 /nfs/dbraw/zinc/60/25/75/1106602575.db2.gz SJPQZFGSUAMPSX-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)CN1C(=O)CN1CCCC1 ZINC000989796187 1106666087 /nfs/dbraw/zinc/66/60/87/1106666087.db2.gz INQUQJJLSIICJM-OLZOCXBDSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000989796532 1106667267 /nfs/dbraw/zinc/66/72/67/1106667267.db2.gz NKNTXWSCQMFAPP-RBUKOAKNSA-N 1 3 343.515 2.787 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1 ZINC000989799461 1106670176 /nfs/dbraw/zinc/67/01/76/1106670176.db2.gz MFDHZSZEDZKUFN-FXAWDEMLSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000989798949 1106670181 /nfs/dbraw/zinc/67/01/81/1106670181.db2.gz HZFMSPPSANVFGK-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000989798536 1106670206 /nfs/dbraw/zinc/67/02/06/1106670206.db2.gz AZTRQZRLNNAEHG-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798761 1106670231 /nfs/dbraw/zinc/67/02/31/1106670231.db2.gz FOZTZNGANFSOBC-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000989798534 1106670403 /nfs/dbraw/zinc/67/04/03/1106670403.db2.gz AZPVNLCKRAILEX-QAPCUYQASA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)CN1C(=O)CN1CCCC1 ZINC000989798712 1106670424 /nfs/dbraw/zinc/67/04/24/1106670424.db2.gz DQIPRELRTKRRHX-APWZRJJASA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989827172 1106700746 /nfs/dbraw/zinc/70/07/46/1106700746.db2.gz ZRKNDWNNBVEWMR-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001168320770 1106715218 /nfs/dbraw/zinc/71/52/18/1106715218.db2.gz OJBCHIBRNDGTLZ-UHFFFAOYSA-N 1 3 335.467 2.598 20 0 EFADHO C[NH+](C)C1CCC(N2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)CC1 ZINC001168327324 1106891717 /nfs/dbraw/zinc/89/17/17/1106891717.db2.gz JPCJHEQIIFLRHT-UHFFFAOYSA-N 1 3 337.508 2.945 20 0 EFADHO C[NH+](C)C1CCC(N2CCN(c3ccc4c(c3)CCC4=O)CC2)CC1 ZINC001168330601 1106978682 /nfs/dbraw/zinc/97/86/82/1106978682.db2.gz TUEJDFKAGMXCHI-UHFFFAOYSA-N 1 3 341.499 2.810 20 0 EFADHO COc1ccc(Cl)c2c1CCC[C@@H]2NCC1(O)CC[NH+](C)CC1 ZINC000903099692 1106982139 /nfs/dbraw/zinc/98/21/39/1106982139.db2.gz LNENIOJQINQVJI-HNNXBMFYSA-N 1 3 338.879 2.772 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(F)(F)F)CC1 ZINC001168335647 1107158021 /nfs/dbraw/zinc/15/80/21/1107158021.db2.gz NWFOQMADBFXIDV-AWEZNQCLSA-N 1 3 349.441 2.689 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058629 1107373158 /nfs/dbraw/zinc/37/31/58/1107373158.db2.gz AHWWFTSXNDLONP-FCEWJHQRSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058629 1107373173 /nfs/dbraw/zinc/37/31/73/1107373173.db2.gz AHWWFTSXNDLONP-FCEWJHQRSA-N 1 3 331.504 2.987 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)cs1 ZINC001168344464 1107374721 /nfs/dbraw/zinc/37/47/21/1107374721.db2.gz BZFSCUSZGGVSIF-UHFFFAOYSA-N 1 3 337.533 2.773 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060830 1107383599 /nfs/dbraw/zinc/38/35/99/1107383599.db2.gz IQSAKADZXAAGGV-APWZRJJASA-N 1 3 329.488 2.907 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060830 1107383612 /nfs/dbraw/zinc/38/36/12/1107383612.db2.gz IQSAKADZXAAGGV-APWZRJJASA-N 1 3 329.488 2.907 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001168345721 1107388318 /nfs/dbraw/zinc/38/83/18/1107388318.db2.gz SKHISBLSPAGQRH-LJQANCHMSA-N 1 3 343.515 2.890 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099098687 1107410013 /nfs/dbraw/zinc/41/00/13/1107410013.db2.gz UVNNMOATGCDZEF-JKSUJKDBSA-N 1 3 347.494 2.633 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099098687 1107410020 /nfs/dbraw/zinc/41/00/20/1107410020.db2.gz UVNNMOATGCDZEF-JKSUJKDBSA-N 1 3 347.494 2.633 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099098686 1107410574 /nfs/dbraw/zinc/41/05/74/1107410574.db2.gz UVNNMOATGCDZEF-HZPDHXFCSA-N 1 3 347.494 2.633 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099098686 1107410578 /nfs/dbraw/zinc/41/05/78/1107410578.db2.gz UVNNMOATGCDZEF-HZPDHXFCSA-N 1 3 347.494 2.633 20 0 EFADHO CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098969 1107417791 /nfs/dbraw/zinc/41/77/91/1107417791.db2.gz ZOQJSMQHJCKUIE-HZPDHXFCSA-N 1 3 329.504 2.683 20 0 EFADHO CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001099098969 1107417795 /nfs/dbraw/zinc/41/77/95/1107417795.db2.gz ZOQJSMQHJCKUIE-HZPDHXFCSA-N 1 3 329.504 2.683 20 0 EFADHO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000311036887 1107475045 /nfs/dbraw/zinc/47/50/45/1107475045.db2.gz OJIJZKSGQWFMIT-YZGWKJHDSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000990243323 1107551720 /nfs/dbraw/zinc/55/17/20/1107551720.db2.gz DFEQKAKIWBYENY-KSSFIOAISA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000990243358 1107552618 /nfs/dbraw/zinc/55/26/18/1107552618.db2.gz FFNVMCWBKUBQFY-MOPGFXCFSA-N 1 3 329.488 2.813 20 0 EFADHO CCCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000990275888 1107588098 /nfs/dbraw/zinc/58/80/98/1107588098.db2.gz DCMCLPACTYNHOR-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990276864 1107588635 /nfs/dbraw/zinc/58/86/35/1107588635.db2.gz KHIAQMMINHNWCD-OALUTQOASA-N 1 3 347.478 2.952 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)CC1=CCCCC1 ZINC001089136418 1107596001 /nfs/dbraw/zinc/59/60/01/1107596001.db2.gz JTORNPQDAYZNBS-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001089136418 1107596008 /nfs/dbraw/zinc/59/60/08/1107596008.db2.gz JTORNPQDAYZNBS-RBUKOAKNSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001089136954 1107601672 /nfs/dbraw/zinc/60/16/72/1107601672.db2.gz RIJNNYLLJHCMOC-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001089136954 1107601679 /nfs/dbraw/zinc/60/16/79/1107601679.db2.gz RIJNNYLLJHCMOC-RBUKOAKNSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040250206 1107675090 /nfs/dbraw/zinc/67/50/90/1107675090.db2.gz NLEAOONHYHKGKL-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040250206 1107675091 /nfs/dbraw/zinc/67/50/91/1107675091.db2.gz NLEAOONHYHKGKL-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001483688527 1107731397 /nfs/dbraw/zinc/73/13/97/1107731397.db2.gz HGNVRMRXCKLPSF-OALUTQOASA-N 1 3 343.515 2.639 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001483688527 1107731412 /nfs/dbraw/zinc/73/14/12/1107731412.db2.gz HGNVRMRXCKLPSF-OALUTQOASA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)(C)CC[C@@H](N)C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000904366870 1107875522 /nfs/dbraw/zinc/87/55/22/1107875522.db2.gz RXSMIRLRRZSEMF-CYBMUJFWSA-N 1 3 325.884 2.813 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC001089191722 1107906615 /nfs/dbraw/zinc/90/66/15/1107906615.db2.gz CWDRIRGWMFMVML-RBUKOAKNSA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC001089191722 1107906626 /nfs/dbraw/zinc/90/66/26/1107906626.db2.gz CWDRIRGWMFMVML-RBUKOAKNSA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001089192553 1107914048 /nfs/dbraw/zinc/91/40/48/1107914048.db2.gz ZRGJDVJHEGVEBC-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001089192553 1107914052 /nfs/dbraw/zinc/91/40/52/1107914052.db2.gz ZRGJDVJHEGVEBC-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO C[C@H]1[C@H](NC(=O)Nc2ccccc2C[NH3+])CCN1Cc1ccccc1 ZINC000904634498 1108072809 /nfs/dbraw/zinc/07/28/09/1108072809.db2.gz QLUNPURAYPCNGC-MAUKXSAKSA-N 1 3 338.455 2.930 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001089226293 1108081354 /nfs/dbraw/zinc/08/13/54/1108081354.db2.gz ZRGJDVJHEGVEBC-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001089226293 1108081371 /nfs/dbraw/zinc/08/13/71/1108081371.db2.gz ZRGJDVJHEGVEBC-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO COc1ccc([C@@H](CN2CCCC2)NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC001649002243 1108163894 /nfs/dbraw/zinc/16/38/94/1108163894.db2.gz NYNDLWULWVYSEJ-QZTJIDSGSA-N 1 3 347.503 2.712 20 0 EFADHO CCc1ccccc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272420983 1108251214 /nfs/dbraw/zinc/25/12/14/1108251214.db2.gz GQDOXIBDYRPIKG-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccccc1C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272420983 1108251227 /nfs/dbraw/zinc/25/12/27/1108251227.db2.gz GQDOXIBDYRPIKG-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393025 1108306365 /nfs/dbraw/zinc/30/63/65/1108306365.db2.gz XSUULXXLYPCSEC-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040393025 1108306382 /nfs/dbraw/zinc/30/63/82/1108306382.db2.gz XSUULXXLYPCSEC-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272448326 1108345911 /nfs/dbraw/zinc/34/59/11/1108345911.db2.gz HUVBKQCEYBMGDZ-FQEVSTJZSA-N 1 3 329.488 2.584 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272448326 1108345926 /nfs/dbraw/zinc/34/59/26/1108345926.db2.gz HUVBKQCEYBMGDZ-FQEVSTJZSA-N 1 3 329.488 2.584 20 0 EFADHO O[C@@H](CNCc1ccccc1C[NH+]1CCCC1)CC1(O)CCCCC1 ZINC000905026932 1108361930 /nfs/dbraw/zinc/36/19/30/1108361930.db2.gz ORRLMHVYIGZMLZ-HXUWFJFHSA-N 1 3 346.515 2.818 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cs1 ZINC001483734177 1108487873 /nfs/dbraw/zinc/48/78/73/1108487873.db2.gz QQKQQKSWESTCNQ-INIZCTEOSA-N 1 3 335.517 2.668 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)cs1 ZINC001483734177 1108487877 /nfs/dbraw/zinc/48/78/77/1108487877.db2.gz QQKQQKSWESTCNQ-INIZCTEOSA-N 1 3 335.517 2.668 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000905211189 1108521000 /nfs/dbraw/zinc/52/10/00/1108521000.db2.gz ZHAFHCKPUPQNIO-FAJBIJEISA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000905211189 1108521013 /nfs/dbraw/zinc/52/10/13/1108521013.db2.gz ZHAFHCKPUPQNIO-FAJBIJEISA-N 1 3 338.442 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254736 1108545933 /nfs/dbraw/zinc/54/59/33/1108545933.db2.gz OSXWKOHKVCRJTJ-QAPCUYQASA-N 1 3 326.431 2.893 20 0 EFADHO C[C@](O)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254736 1108545945 /nfs/dbraw/zinc/54/59/45/1108545945.db2.gz OSXWKOHKVCRJTJ-QAPCUYQASA-N 1 3 326.431 2.893 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(Cl)cc3)CC2)CCC1 ZINC001483740429 1108716312 /nfs/dbraw/zinc/71/63/12/1108716312.db2.gz FXLCKJFWKGNFCO-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001030021627 1108891827 /nfs/dbraw/zinc/89/18/27/1108891827.db2.gz IJNHFDIOVFGZNQ-PMPSAXMXSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001030021665 1108892797 /nfs/dbraw/zinc/89/27/97/1108892797.db2.gz WAMZDBJABIWCAJ-JVPBZIDWSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001030021666 1108893086 /nfs/dbraw/zinc/89/30/86/1108893086.db2.gz WAMZDBJABIWCAJ-KYNGSXCRSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1)N(C)C ZINC001030021690 1108893206 /nfs/dbraw/zinc/89/32/06/1108893206.db2.gz GEUPSBNINFWMFO-IEZWGBDMSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001030021697 1108894273 /nfs/dbraw/zinc/89/42/73/1108894273.db2.gz RUBLSPLRWNPOOB-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C12CCC2 ZINC000898845836 1109103001 /nfs/dbraw/zinc/10/30/01/1109103001.db2.gz PBMKAWNUOCOMLZ-MOPGFXCFSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990791362 1109360349 /nfs/dbraw/zinc/36/03/49/1109360349.db2.gz NEAZTPNABWSCAV-VYCZESIESA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990791362 1109360356 /nfs/dbraw/zinc/36/03/56/1109360356.db2.gz NEAZTPNABWSCAV-VYCZESIESA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990791361 1109361132 /nfs/dbraw/zinc/36/11/32/1109361132.db2.gz NEAZTPNABWSCAV-NWGLXNPWSA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990791361 1109361135 /nfs/dbraw/zinc/36/11/35/1109361135.db2.gz NEAZTPNABWSCAV-NWGLXNPWSA-N 1 3 347.528 2.702 20 0 EFADHO O=C(c1ccccc1F)N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366300 1109586016 /nfs/dbraw/zinc/58/60/16/1109586016.db2.gz NZLFDMSNXURCML-KRWDZBQOSA-N 1 3 345.462 2.504 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC001483746731 1111168721 /nfs/dbraw/zinc/16/87/21/1111168721.db2.gz NNUBVWPSHYXODM-GOSISDBHSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106249721 1111220163 /nfs/dbraw/zinc/22/01/63/1111220163.db2.gz PEWSJBSONDUDJY-ATZDWAIDSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001106249138 1111220810 /nfs/dbraw/zinc/22/08/10/1111220810.db2.gz ANRWEPRTHXKMAC-AHRSYUTCSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106249538 1111220984 /nfs/dbraw/zinc/22/09/84/1111220984.db2.gz JWKZAOYUVVOVBG-NXHRZFHOSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1)N(C)C ZINC001106281951 1111309247 /nfs/dbraw/zinc/30/92/47/1111309247.db2.gz MRQGGQFHZOMMPC-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127317601 1111352120 /nfs/dbraw/zinc/35/21/20/1111352120.db2.gz SXAUFJBTXFHINX-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2F)[C@H](C)C1 ZINC001106339651 1111432350 /nfs/dbraw/zinc/43/23/50/1111432350.db2.gz XQFYTVZAWHKUJO-NVXWUHKLSA-N 1 3 349.494 2.740 20 0 EFADHO CCc1ccc(CC[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001127327831 1111458041 /nfs/dbraw/zinc/45/80/41/1111458041.db2.gz YEEMLXIUOWZUSI-UHFFFAOYSA-N 1 3 345.531 2.762 20 0 EFADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127356634 1111645754 /nfs/dbraw/zinc/64/57/54/1111645754.db2.gz KGSFEVXDUXVJCA-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO O=C(NCCNCc1ccc(F)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356634 1111645756 /nfs/dbraw/zinc/64/57/56/1111645756.db2.gz KGSFEVXDUXVJCA-QGZVFWFLSA-N 1 3 347.478 2.686 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112382039 1111699179 /nfs/dbraw/zinc/69/91/79/1111699179.db2.gz BEEPTTXPDMZLTD-NSHGMRRFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCC3CCCCC3)[C@H](C)C2)C1 ZINC001106666795 1111709348 /nfs/dbraw/zinc/70/93/48/1111709348.db2.gz VXDRSQZZTFSKMA-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1)N(C)C ZINC001106674066 1111712667 /nfs/dbraw/zinc/71/26/67/1111712667.db2.gz PTPYDUYOXLAWQP-RLLQIKCJSA-N 1 3 345.531 2.644 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)C1 ZINC001106673219 1111713637 /nfs/dbraw/zinc/71/36/37/1111713637.db2.gz RWNYAAPXIHBWHD-GPQLOAJWSA-N 1 3 337.552 2.695 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c(C)c1 ZINC001272638154 1111793561 /nfs/dbraw/zinc/79/35/61/1111793561.db2.gz FZSYQOLUHZHAGG-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)c(C)c1 ZINC001272638154 1111793565 /nfs/dbraw/zinc/79/35/65/1111793565.db2.gz FZSYQOLUHZHAGG-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001106779159 1111826352 /nfs/dbraw/zinc/82/63/52/1111826352.db2.gz FVYARAJICRGTAL-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001106784067 1111829511 /nfs/dbraw/zinc/82/95/11/1111829511.db2.gz ATPFNSDOBMWJGD-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)cc1 ZINC001106785059 1111831274 /nfs/dbraw/zinc/83/12/74/1111831274.db2.gz VMUBOFNGZIBMEB-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC[N@@H+]1C ZINC001089390685 1112056051 /nfs/dbraw/zinc/05/60/51/1112056051.db2.gz HYWJQZVZEACXBH-FHWULYQBSA-N 1 3 341.927 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C/C=C\Cl)CC(C)(C)C2)CC[N@H+]1C ZINC001089390685 1112056053 /nfs/dbraw/zinc/05/60/53/1112056053.db2.gz HYWJQZVZEACXBH-FHWULYQBSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)N1CCCC1 ZINC001089459330 1112175333 /nfs/dbraw/zinc/17/53/33/1112175333.db2.gz UCCLIGMAWOEXOF-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1)N1CCCC1 ZINC001089459330 1112175336 /nfs/dbraw/zinc/17/53/36/1112175336.db2.gz UCCLIGMAWOEXOF-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC001483916419 1112557340 /nfs/dbraw/zinc/55/73/40/1112557340.db2.gz OZSICZTYWJLBCH-WMZOPIPTSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2c(C)cccc2C)[C@H](C)C1 ZINC001106905980 1112637707 /nfs/dbraw/zinc/63/77/07/1112637707.db2.gz QLCGRGYIUFPHJF-RTBURBONSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CCc2ccccc2)C1 ZINC001484174179 1112888419 /nfs/dbraw/zinc/88/84/19/1112888419.db2.gz OSGFWPZRWSHIDX-OAQYLSRUSA-N 1 3 345.531 2.789 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCc2ccccc2)C1 ZINC001484174179 1112888421 /nfs/dbraw/zinc/88/84/21/1112888421.db2.gz OSGFWPZRWSHIDX-OAQYLSRUSA-N 1 3 345.531 2.789 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106908114 1112893544 /nfs/dbraw/zinc/89/35/44/1112893544.db2.gz QVWLLECNFLDCNZ-ZHALLVOQSA-N 1 3 331.504 2.774 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC001106909749 1112961901 /nfs/dbraw/zinc/96/19/01/1112961901.db2.gz LMYUWIZHXUKNRP-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001484575345 1113040254 /nfs/dbraw/zinc/04/02/54/1113040254.db2.gz REUVYADTFTWAJN-KOMQPUFPSA-N 1 3 345.478 2.638 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCC1 ZINC001484636430 1113075573 /nfs/dbraw/zinc/07/55/73/1113075573.db2.gz CAINAGUPIOJZLP-SFHVURJKSA-N 1 3 347.478 2.829 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]C/C=C\c3ccccc3)CCC2)CCC1 ZINC001484637519 1113089566 /nfs/dbraw/zinc/08/95/66/1113089566.db2.gz HEKOFMIVNHZOKD-WDZFZDKYSA-N 1 3 341.499 2.813 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C)([NH2+]CCCCCF)CC1)N(C)C ZINC001484920689 1117836705 /nfs/dbraw/zinc/83/67/05/1117836705.db2.gz GAZCRNJTCPQQMG-MRXNPFEDSA-N 1 3 329.504 2.683 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821259 1117920706 /nfs/dbraw/zinc/92/07/06/1117920706.db2.gz RMHDGNCZVRNVEC-RDGPPVDQSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821259 1117920711 /nfs/dbraw/zinc/92/07/11/1117920711.db2.gz RMHDGNCZVRNVEC-RDGPPVDQSA-N 1 3 345.531 2.606 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C)c(F)c1 ZINC001485072857 1118011234 /nfs/dbraw/zinc/01/12/34/1118011234.db2.gz LFKWNOSFKDTXMT-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C)c(F)c1 ZINC001485072857 1118011239 /nfs/dbraw/zinc/01/12/39/1118011239.db2.gz LFKWNOSFKDTXMT-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC001485074715 1118014906 /nfs/dbraw/zinc/01/49/06/1118014906.db2.gz DYCOSWSMESVAHJ-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C ZINC001485074715 1118014909 /nfs/dbraw/zinc/01/49/09/1118014909.db2.gz DYCOSWSMESVAHJ-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2cccc(F)c2)C1 ZINC001485260212 1118179387 /nfs/dbraw/zinc/17/93/87/1118179387.db2.gz IJQBNSDFSRMOPH-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001127659573 1118221999 /nfs/dbraw/zinc/22/19/99/1118221999.db2.gz GKERXBRVHDMCIN-YRGRVCCFSA-N 1 3 341.858 2.586 20 0 EFADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001127659573 1118222003 /nfs/dbraw/zinc/22/20/03/1118222003.db2.gz GKERXBRVHDMCIN-YRGRVCCFSA-N 1 3 341.858 2.586 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc(CF)cc1 ZINC001485311943 1118224782 /nfs/dbraw/zinc/22/47/82/1118224782.db2.gz FYLOSPXAVKEMMJ-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001485311943 1118224783 /nfs/dbraw/zinc/22/47/83/1118224783.db2.gz FYLOSPXAVKEMMJ-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845500 1118241953 /nfs/dbraw/zinc/24/19/53/1118241953.db2.gz FPBVGJYFYOXMCV-OKYOBFRVSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845500 1118241955 /nfs/dbraw/zinc/24/19/55/1118241955.db2.gz FPBVGJYFYOXMCV-OKYOBFRVSA-N 1 3 347.547 2.686 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485540472 1118440477 /nfs/dbraw/zinc/44/04/77/1118440477.db2.gz SHBXYFAUWTZTMM-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC[C@@H](C)F)C1 ZINC001112437114 1118571853 /nfs/dbraw/zinc/57/18/53/1118571853.db2.gz YHLLBMPZGQPXRX-GJYPPUQNSA-N 1 3 341.515 2.683 20 0 EFADHO CCCCNC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272715952 1118897168 /nfs/dbraw/zinc/89/71/68/1118897168.db2.gz AUYVNQHNKLHNBK-SFHVURJKSA-N 1 3 335.536 2.881 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042455 1119069874 /nfs/dbraw/zinc/06/98/74/1119069874.db2.gz ALDPSPNYXSRDMO-RBUKOAKNSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001032042455 1119069880 /nfs/dbraw/zinc/06/98/80/1119069880.db2.gz ALDPSPNYXSRDMO-RBUKOAKNSA-N 1 3 331.504 2.552 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)c1 ZINC001032129093 1119838256 /nfs/dbraw/zinc/83/82/56/1119838256.db2.gz QGHNISDTFDHJRY-WOJBJXKFSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]C/C=C/Cl ZINC001107035392 1120002633 /nfs/dbraw/zinc/00/26/33/1120002633.db2.gz FPIJYECMPFFIBD-KIBVIPRGSA-N 1 3 349.906 2.798 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)[C@H](C)C1 ZINC001107040431 1120054601 /nfs/dbraw/zinc/05/46/01/1120054601.db2.gz DPYYRGFPERIVQF-POAQFYNOSA-N 1 3 343.515 2.698 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040600 1120055402 /nfs/dbraw/zinc/05/54/02/1120055402.db2.gz JFNWPGFQMHRENT-SJLPKXTDSA-N 1 3 349.494 2.658 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032204659 1120191231 /nfs/dbraw/zinc/19/12/31/1120191231.db2.gz BJPJSBZGQXLEOU-UHFFFAOYSA-N 1 3 343.515 2.846 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000944443667 1120193510 /nfs/dbraw/zinc/19/35/10/1120193510.db2.gz HPRBXUWOZRMVCJ-BBRMVZONSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@@H]1C ZINC000944443667 1120193513 /nfs/dbraw/zinc/19/35/13/1120193513.db2.gz HPRBXUWOZRMVCJ-BBRMVZONSA-N 1 3 332.492 2.523 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001032205881 1120199883 /nfs/dbraw/zinc/19/98/83/1120199883.db2.gz LMLBOTBEGMSJCI-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NCC1CN(Cc2ccccc2)C1 ZINC001032206503 1120201364 /nfs/dbraw/zinc/20/13/64/1120201364.db2.gz CIMSZPWWWXWFSY-UHFFFAOYSA-N 1 3 337.467 2.610 20 0 EFADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027803 1120518103 /nfs/dbraw/zinc/51/81/03/1120518103.db2.gz BTJIIVJPXVMABL-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027803 1120518107 /nfs/dbraw/zinc/51/81/07/1120518107.db2.gz BTJIIVJPXVMABL-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091529 1120548103 /nfs/dbraw/zinc/54/81/03/1120548103.db2.gz NPDYSCMFFSZVGG-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945091529 1120548108 /nfs/dbraw/zinc/54/81/08/1120548108.db2.gz NPDYSCMFFSZVGG-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088193 1120558242 /nfs/dbraw/zinc/55/82/42/1120558242.db2.gz BHYRHDAOWDSSKS-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088193 1120558245 /nfs/dbraw/zinc/55/82/45/1120558245.db2.gz BHYRHDAOWDSSKS-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089869 1120559676 /nfs/dbraw/zinc/55/96/76/1120559676.db2.gz IODYJJXHFJSWLC-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000945089869 1120559680 /nfs/dbraw/zinc/55/96/80/1120559680.db2.gz IODYJJXHFJSWLC-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945093474 1120570079 /nfs/dbraw/zinc/57/00/79/1120570079.db2.gz SPEZVTZSVRDODC-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945093474 1120570081 /nfs/dbraw/zinc/57/00/81/1120570081.db2.gz SPEZVTZSVRDODC-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945093481 1120570460 /nfs/dbraw/zinc/57/04/60/1120570460.db2.gz SPEZVTZSVRDODC-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945093481 1120570464 /nfs/dbraw/zinc/57/04/64/1120570464.db2.gz SPEZVTZSVRDODC-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000414878300 282110398 /nfs/dbraw/zinc/11/03/98/282110398.db2.gz HAXVOJDOXKKHJY-WKILWMFISA-N 1 3 348.491 2.514 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000054509922 214242045 /nfs/dbraw/zinc/24/20/45/214242045.db2.gz NNGBQZRRRSVEOK-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000054509922 214242049 /nfs/dbraw/zinc/24/20/49/214242049.db2.gz NNGBQZRRRSVEOK-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000177268576 282146255 /nfs/dbraw/zinc/14/62/55/282146255.db2.gz SEPDTPXXNHUADQ-DFQSSKMNSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000073440803 282172356 /nfs/dbraw/zinc/17/23/56/282172356.db2.gz KVDIUAWAWTYZFK-OALUTQOASA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000073440803 282172357 /nfs/dbraw/zinc/17/23/57/282172357.db2.gz KVDIUAWAWTYZFK-OALUTQOASA-N 1 3 346.519 2.805 20 0 EFADHO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1ccc2c(c1)OCCO2 ZINC000159097801 529682086 /nfs/dbraw/zinc/68/20/86/529682086.db2.gz AOBIXPYMLPZKEL-GOSISDBHSA-N 1 3 348.487 2.999 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000158260282 282237875 /nfs/dbraw/zinc/23/78/75/282237875.db2.gz QBBAAKJFKFOYFE-RTBURBONSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000158260282 282237877 /nfs/dbraw/zinc/23/78/77/282237877.db2.gz QBBAAKJFKFOYFE-RTBURBONSA-N 1 3 329.488 2.670 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2cc[nH]c2c1 ZINC000101518475 219130560 /nfs/dbraw/zinc/13/05/60/219130560.db2.gz VPQXMMZHMYHBCT-GOSISDBHSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2cc[nH]c2c1 ZINC000101518475 219130561 /nfs/dbraw/zinc/13/05/61/219130561.db2.gz VPQXMMZHMYHBCT-GOSISDBHSA-N 1 3 342.487 2.656 20 0 EFADHO CN(c1ccccc1CN1CCC(C)(CO)CC1)C1CC[NH+](C)CC1 ZINC000184070630 530036962 /nfs/dbraw/zinc/03/69/62/530036962.db2.gz GGPQMPFRAJTGNI-UHFFFAOYSA-N 1 3 345.531 2.811 20 0 EFADHO CN(c1ccccc1C[NH2+]CCCn1ccnc1)C1CCN(C)CC1 ZINC000132688985 530037060 /nfs/dbraw/zinc/03/70/60/530037060.db2.gz PPJDSAQFDOXKOZ-UHFFFAOYSA-N 1 3 341.503 2.593 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000101653518 219151656 /nfs/dbraw/zinc/15/16/56/219151656.db2.gz PZYRMJYXRMRCQZ-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CN(C)C)cc2)C1 ZINC000101653518 219151658 /nfs/dbraw/zinc/15/16/58/219151658.db2.gz PZYRMJYXRMRCQZ-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H](c1ccccc1)N(C)C ZINC000377265997 299125844 /nfs/dbraw/zinc/12/58/44/299125844.db2.gz OXTRPFFFEBCLEM-YTQUADARSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000357275613 299127374 /nfs/dbraw/zinc/12/73/74/299127374.db2.gz PKNVKHZZURRWRW-NQYYFHDYSA-N 1 3 344.503 2.556 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H](c1ccccc1)N(C)C ZINC000357275613 299127377 /nfs/dbraw/zinc/12/73/77/299127377.db2.gz PKNVKHZZURRWRW-NQYYFHDYSA-N 1 3 344.503 2.556 20 0 EFADHO C[C@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000418353206 299142821 /nfs/dbraw/zinc/14/28/21/299142821.db2.gz VQSVBEVGHCKRJG-FUHWJXTLSA-N 1 3 346.519 2.584 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000178039160 290844005 /nfs/dbraw/zinc/84/40/05/290844005.db2.gz WZRSXSJUEPAQCU-IRXDYDNUSA-N 1 3 325.541 2.728 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3cccn3)cc2)C[C@@H](C)O1 ZINC000067452653 215147905 /nfs/dbraw/zinc/14/79/05/215147905.db2.gz LNTQRYVRHSOAFA-QZTJIDSGSA-N 1 3 342.487 2.851 20 0 EFADHO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000352821023 299154687 /nfs/dbraw/zinc/15/46/87/299154687.db2.gz RWLWQUPXFVJXNV-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000352821023 299154690 /nfs/dbraw/zinc/15/46/90/299154690.db2.gz RWLWQUPXFVJXNV-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000104150258 219352528 /nfs/dbraw/zinc/35/25/28/219352528.db2.gz YOILHDUOPHQSII-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104150258 219352531 /nfs/dbraw/zinc/35/25/31/219352531.db2.gz YOILHDUOPHQSII-FUHWJXTLSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000350895601 295820458 /nfs/dbraw/zinc/82/04/58/295820458.db2.gz FKISTUHTYTYFQR-QFBILLFUSA-N 1 3 346.519 2.661 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CC[NH2+]C1 ZINC000416780051 283004252 /nfs/dbraw/zinc/00/42/52/283004252.db2.gz CBMXGLGVXXJGBR-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)N(C)Cc1ccccc1 ZINC000184237780 235343465 /nfs/dbraw/zinc/34/34/65/235343465.db2.gz POKNMRKASFXYNM-KRWDZBQOSA-N 1 3 331.504 2.922 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351060379 283245575 /nfs/dbraw/zinc/24/55/75/283245575.db2.gz DOFRZAQBYHYJPG-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351060379 283245581 /nfs/dbraw/zinc/24/55/81/283245581.db2.gz DOFRZAQBYHYJPG-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](CNC(=O)C[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000431754948 295946342 /nfs/dbraw/zinc/94/63/42/295946342.db2.gz BDCBAMSTDWKSNO-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cc3ccccc3[nH]c2=O)C[C@H](C)O1 ZINC000072290848 216125717 /nfs/dbraw/zinc/12/57/17/216125717.db2.gz RBTBWRUMKVMFGH-HOTGVXAUSA-N 1 3 343.471 2.919 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000072293964 216131111 /nfs/dbraw/zinc/13/11/11/216131111.db2.gz AIYAOFCIKJBMMU-GOEBONIOSA-N 1 3 347.459 2.549 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000072293964 216131116 /nfs/dbraw/zinc/13/11/16/216131116.db2.gz AIYAOFCIKJBMMU-GOEBONIOSA-N 1 3 347.459 2.549 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000355020324 283546827 /nfs/dbraw/zinc/54/68/27/283546827.db2.gz QXICUBYXAOMZPI-GOSISDBHSA-N 1 3 337.483 2.883 20 0 EFADHO O=C([C@@H]1CCC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000342709457 296020259 /nfs/dbraw/zinc/02/02/59/296020259.db2.gz OKWOJBOSWUEUMY-TZIWHRDSSA-N 1 3 341.499 2.501 20 0 EFADHO N[C@H]1CCCCC[C@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936195 283620557 /nfs/dbraw/zinc/62/05/57/283620557.db2.gz FDQLWFKWOYAUPZ-LEWJYISDSA-N 1 3 344.547 2.838 20 0 EFADHO C[C@H]1[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CCCN1C ZINC000345761392 291308474 /nfs/dbraw/zinc/30/84/74/291308474.db2.gz VSONPWDMONQWBG-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000345761392 291308475 /nfs/dbraw/zinc/30/84/75/291308475.db2.gz VSONPWDMONQWBG-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO C[NH2+]CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000193134342 240033014 /nfs/dbraw/zinc/03/30/14/240033014.db2.gz SSHVQQHCRRUKBG-UHFFFAOYSA-N 1 3 344.286 2.637 20 0 EFADHO NC[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2ccccc2c1 ZINC000193430746 240163696 /nfs/dbraw/zinc/16/36/96/240163696.db2.gz FSFTXVKNTFFDDM-ZNUQSRJQSA-N 1 3 337.467 2.877 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000193888201 240347515 /nfs/dbraw/zinc/34/75/15/240347515.db2.gz JZXGCKUGNYZYPU-BHYGNILZSA-N 1 3 334.460 2.619 20 0 EFADHO C[C@H](CC[NH+]1CCC(C(=O)NCCN(C)C)CC1)c1ccccc1 ZINC000193811684 240319130 /nfs/dbraw/zinc/31/91/30/240319130.db2.gz ZUZUOHVNRGZZMZ-QGZVFWFLSA-N 1 3 331.504 2.570 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000194742866 240697446 /nfs/dbraw/zinc/69/74/46/240697446.db2.gz LNELKFIVACVERV-LPHOPBHVSA-N 1 3 341.499 2.640 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1F ZINC000132862865 223369001 /nfs/dbraw/zinc/36/90/01/223369001.db2.gz XPBBXQKLVGOWFR-HUUCEWRRSA-N 1 3 336.451 2.986 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000132867585 223369417 /nfs/dbraw/zinc/36/94/17/223369417.db2.gz KPCQJUZRTQHNAY-QRWLVFNGSA-N 1 3 330.472 2.773 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000132867175 223369653 /nfs/dbraw/zinc/36/96/53/223369653.db2.gz KPCQJUZRTQHNAY-YWZLYKJASA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](CN)c2ccccc2)CC1 ZINC000236713994 242331886 /nfs/dbraw/zinc/33/18/86/242331886.db2.gz IRTLCMBNYUPWTA-LJQANCHMSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000236756228 242347911 /nfs/dbraw/zinc/34/79/11/242347911.db2.gz ZKVLQQHTAPUEHD-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2CC[NH2+]CC2)c2cccs2)CC1 ZINC000236650439 242305891 /nfs/dbraw/zinc/30/58/91/242305891.db2.gz ARPJRYLMJDUVRR-INIZCTEOSA-N 1 3 335.517 2.637 20 0 EFADHO CC(C)[C@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236659580 242310499 /nfs/dbraw/zinc/31/04/99/242310499.db2.gz ZZXVKEWRHGLDBU-MOPGFXCFSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236690995 242322150 /nfs/dbraw/zinc/32/21/50/242322150.db2.gz HRFCKXDOAMTBJC-PXNSSMCTSA-N 1 3 349.494 2.917 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccccc1)c1ccccc1 ZINC000236826523 242372940 /nfs/dbraw/zinc/37/29/40/242372940.db2.gz KNAXOFZXBKSKCU-PMACEKPBSA-N 1 3 339.483 2.928 20 0 EFADHO Cc1cc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)ccc1CN(C)C ZINC000412420098 243305512 /nfs/dbraw/zinc/30/55/12/243305512.db2.gz QRTBOYKGNDNLLM-LJQANCHMSA-N 1 3 347.503 2.788 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000412332669 243272889 /nfs/dbraw/zinc/27/28/89/243272889.db2.gz DHTNKTKHMPIBLX-RCJHGTSTSA-N 1 3 347.503 2.675 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000412332669 243272900 /nfs/dbraw/zinc/27/29/00/243272900.db2.gz DHTNKTKHMPIBLX-RCJHGTSTSA-N 1 3 347.503 2.675 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000128367298 296123336 /nfs/dbraw/zinc/12/33/36/296123336.db2.gz COFDBSIOYLXYCU-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000361523262 296123136 /nfs/dbraw/zinc/12/31/36/296123136.db2.gz DMEPPKIEQNNFKG-HKUYNNGSSA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000361523262 296123137 /nfs/dbraw/zinc/12/31/37/296123137.db2.gz DMEPPKIEQNNFKG-HKUYNNGSSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194077 244041581 /nfs/dbraw/zinc/04/15/81/244041581.db2.gz NBVXPGVYYADSHE-RBUKOAKNSA-N 1 3 339.568 2.833 20 0 EFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414204309 244048506 /nfs/dbraw/zinc/04/85/06/244048506.db2.gz WDLWKOQYYCPQDE-LJQANCHMSA-N 1 3 337.552 2.732 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000414298964 244078164 /nfs/dbraw/zinc/07/81/64/244078164.db2.gz HPULEDWNPSCHFP-PMACEKPBSA-N 1 3 346.515 2.808 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000414260836 244065645 /nfs/dbraw/zinc/06/56/45/244065645.db2.gz HQHZRUJMUNZGJB-AYWYSENESA-N 1 3 345.531 2.596 20 0 EFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689222 244291396 /nfs/dbraw/zinc/29/13/96/244291396.db2.gz KLXIKNZOKVSWTQ-DFQSSKMNSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689222 244291399 /nfs/dbraw/zinc/29/13/99/244291399.db2.gz KLXIKNZOKVSWTQ-DFQSSKMNSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1C[C@H](CN2CCN(c3ccc(F)cc3Cl)CC2)CC[NH2+]1 ZINC000414715215 244303989 /nfs/dbraw/zinc/30/39/89/244303989.db2.gz YIODURUCNFRTOC-ZIAGYGMSSA-N 1 3 325.859 2.989 20 0 EFADHO COC(=O)c1nc([C@@H]2CCCN2C[C@@H]2CC[NH2+][C@H](C)C2)sc1C ZINC000414755641 244329527 /nfs/dbraw/zinc/32/95/27/244329527.db2.gz IAGUXXGMAFOMLB-BNOWGMLFSA-N 1 3 337.489 2.763 20 0 EFADHO CC[C@@H](C[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760737 244332145 /nfs/dbraw/zinc/33/21/45/244332145.db2.gz ZJQXBDVQGWMUTC-ROUUACIJSA-N 1 3 331.504 2.699 20 0 EFADHO CC[C@@H](C[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760737 244332149 /nfs/dbraw/zinc/33/21/49/244332149.db2.gz ZJQXBDVQGWMUTC-ROUUACIJSA-N 1 3 331.504 2.699 20 0 EFADHO Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703421 244299323 /nfs/dbraw/zinc/29/93/23/244299323.db2.gz JRNLQBHYXHJILV-IEBWSBKVSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703421 244299326 /nfs/dbraw/zinc/29/93/26/244299326.db2.gz JRNLQBHYXHJILV-IEBWSBKVSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703424 244299861 /nfs/dbraw/zinc/29/98/61/244299861.db2.gz JRNLQBHYXHJILV-MJGOQNOKSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1 ZINC000414703424 244299866 /nfs/dbraw/zinc/29/98/66/244299866.db2.gz JRNLQBHYXHJILV-MJGOQNOKSA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000414778124 244340743 /nfs/dbraw/zinc/34/07/43/244340743.db2.gz GEZYSPANDHWUGG-CVEARBPZSA-N 1 3 344.377 2.913 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000414783939 244347679 /nfs/dbraw/zinc/34/76/79/244347679.db2.gz HWJDPWVEKXYRQF-OAHLLOKOSA-N 1 3 328.378 2.893 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000414785142 244348958 /nfs/dbraw/zinc/34/89/58/244348958.db2.gz IVLGCIBARIMALE-AWEZNQCLSA-N 1 3 344.377 2.773 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NC1CC[NH2+]CC1 ZINC000414787056 244351245 /nfs/dbraw/zinc/35/12/45/244351245.db2.gz YFKQGMQGHVNYBY-LLVKDONJSA-N 1 3 340.265 2.508 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CCNCC1 ZINC000414787056 244351250 /nfs/dbraw/zinc/35/12/50/244351250.db2.gz YFKQGMQGHVNYBY-LLVKDONJSA-N 1 3 340.265 2.508 20 0 EFADHO C[C@H](C[NH3+])CNCc1ccc(Br)c(Br)c1 ZINC000414888097 244389831 /nfs/dbraw/zinc/38/98/31/244389831.db2.gz ZRTJIXIRZBZAHI-MRVPVSSYSA-N 1 3 336.071 2.896 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414945391 244398611 /nfs/dbraw/zinc/39/86/11/244398611.db2.gz IGDGPRCLPXHRKA-CKEIUWERSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414945391 244398619 /nfs/dbraw/zinc/39/86/19/244398619.db2.gz IGDGPRCLPXHRKA-CKEIUWERSA-N 1 3 337.895 2.807 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)CC1 ZINC000261749396 244663536 /nfs/dbraw/zinc/66/35/36/244663536.db2.gz LCBGNFGTQLUFSR-IBGZPJMESA-N 1 3 345.487 2.611 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC[C@H](C)C1 ZINC000417002594 244968101 /nfs/dbraw/zinc/96/81/01/244968101.db2.gz AOWJRTIQUSVNKB-IRXDYDNUSA-N 1 3 338.540 2.657 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417104497 245023962 /nfs/dbraw/zinc/02/39/62/245023962.db2.gz FCGSGKKNAZLASY-UHOSZYNNSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000417217890 245050189 /nfs/dbraw/zinc/05/01/89/245050189.db2.gz DYUNWUBEOFFPGV-ISARSNTHSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000417218888 245051394 /nfs/dbraw/zinc/05/13/94/245051394.db2.gz HVRTZGBVMHGMQY-BVBHFADKSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])C1 ZINC000417225849 245052619 /nfs/dbraw/zinc/05/26/19/245052619.db2.gz YRGZLUHKYVMKOG-UKBAYJJMSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262634510 245083391 /nfs/dbraw/zinc/08/33/91/245083391.db2.gz GYMJREMWXNVTNF-LPHOPBHVSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262634510 245083398 /nfs/dbraw/zinc/08/33/98/245083398.db2.gz GYMJREMWXNVTNF-LPHOPBHVSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000262634512 245084356 /nfs/dbraw/zinc/08/43/56/245084356.db2.gz GYMJREMWXNVTNF-VQIMIIECSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000262634512 245084361 /nfs/dbraw/zinc/08/43/61/245084361.db2.gz GYMJREMWXNVTNF-VQIMIIECSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](N)Cc1ccccc1)c1ccccc1 ZINC000262637291 245086532 /nfs/dbraw/zinc/08/65/32/245086532.db2.gz IICQQJCCTSQNCZ-QFBILLFUSA-N 1 3 339.483 2.802 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000417675243 245086858 /nfs/dbraw/zinc/08/68/58/245086858.db2.gz BRNDUVZFDLGGEE-GJYPPUQNSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](N[C@H]1CCN(CC(F)F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417389614 245078790 /nfs/dbraw/zinc/07/87/90/245078790.db2.gz PTZKQEKXYMWDLF-JQHSSLGASA-N 1 3 337.458 2.826 20 0 EFADHO C[C@H](N[C@H]1CCN(CC(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417389614 245078794 /nfs/dbraw/zinc/07/87/94/245078794.db2.gz PTZKQEKXYMWDLF-JQHSSLGASA-N 1 3 337.458 2.826 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H](N)C1)C(C)C ZINC000417795933 245099887 /nfs/dbraw/zinc/09/98/87/245099887.db2.gz NNPPWJHLLTUEOF-RBUKOAKNSA-N 1 3 346.519 2.632 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000418362722 245136715 /nfs/dbraw/zinc/13/67/15/245136715.db2.gz VBUUPFVQTGSHLG-GOSISDBHSA-N 1 3 334.508 2.793 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000262712133 245137285 /nfs/dbraw/zinc/13/72/85/245137285.db2.gz RDIACBGUJONAQE-INIZCTEOSA-N 1 3 327.856 2.736 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000418501760 245176490 /nfs/dbraw/zinc/17/64/90/245176490.db2.gz SGQUXOLZGPMIKA-NIKGAXFTSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000418502842 245176587 /nfs/dbraw/zinc/17/65/87/245176587.db2.gz WKEHSHYECSORQN-ZOCIIQOWSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000418501761 245177367 /nfs/dbraw/zinc/17/73/67/245177367.db2.gz SGQUXOLZGPMIKA-ZMYBRWDISA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418503860 245179258 /nfs/dbraw/zinc/17/92/58/245179258.db2.gz ZVXSVXMWTSFDEL-ZOCIIQOWSA-N 1 3 340.471 2.751 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418526682 245183391 /nfs/dbraw/zinc/18/33/91/245183391.db2.gz ZWPHEDJTTJDOAA-UHFFFAOYSA-N 1 3 346.519 2.586 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418437229 245156560 /nfs/dbraw/zinc/15/65/60/245156560.db2.gz HQFMPXSXDNIMNE-HKUYNNGSSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418443771 245160583 /nfs/dbraw/zinc/16/05/83/245160583.db2.gz NWDZEHQGTBXESD-MSOLQXFVSA-N 1 3 328.460 2.512 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418452083 245162810 /nfs/dbraw/zinc/16/28/10/245162810.db2.gz WWBJDUZVBOLXNQ-PKOBYXMFSA-N 1 3 346.519 2.667 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418456333 245163974 /nfs/dbraw/zinc/16/39/74/245163974.db2.gz FQLZQAGKXBESSZ-KUHUBIRLSA-N 1 3 340.471 2.768 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418562599 245194218 /nfs/dbraw/zinc/19/42/18/245194218.db2.gz GMOGAUNCOFCBIT-GUDVDZBRSA-N 1 3 344.503 2.562 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418593779 245205164 /nfs/dbraw/zinc/20/51/64/245205164.db2.gz VXHRVNYCENLLEV-ZWKOTPCHSA-N 1 3 344.503 2.562 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000418597422 245207140 /nfs/dbraw/zinc/20/71/40/245207140.db2.gz PNWKYXNPQDWDBQ-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO CCCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418527966 245185529 /nfs/dbraw/zinc/18/55/29/245185529.db2.gz OPJODJBLAOSUMK-PKOBYXMFSA-N 1 3 346.519 2.810 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000418648075 245225447 /nfs/dbraw/zinc/22/54/47/245225447.db2.gz UZDUSMSXNBSFGJ-UHFFFAOYSA-N 1 3 344.503 2.506 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000418646828 245225459 /nfs/dbraw/zinc/22/54/59/245225459.db2.gz FVZUKSMRUFMDBA-DNVCBOLYSA-N 1 3 346.519 2.621 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418675184 245241623 /nfs/dbraw/zinc/24/16/23/245241623.db2.gz QKANRORGPXGGPU-INIZCTEOSA-N 1 3 334.508 2.714 20 0 EFADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418664873 245236573 /nfs/dbraw/zinc/23/65/73/245236573.db2.gz BGCSZCSGYYSCMJ-IEBWSBKVSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418673131 245238907 /nfs/dbraw/zinc/23/89/07/245238907.db2.gz NWXQZQAFIAUBGN-MJGOQNOKSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418673129 245239161 /nfs/dbraw/zinc/23/91/61/245239161.db2.gz NWXQZQAFIAUBGN-IEBWSBKVSA-N 1 3 346.519 2.810 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000418726001 245261297 /nfs/dbraw/zinc/26/12/97/245261297.db2.gz CQARXCSKSDOWFE-MJGOQNOKSA-N 1 3 346.519 2.586 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418742516 245267370 /nfs/dbraw/zinc/26/73/70/245267370.db2.gz BYHDAOWEBHYRBQ-GOSISDBHSA-N 1 3 338.540 2.816 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418739807 245268410 /nfs/dbraw/zinc/26/84/10/245268410.db2.gz NFBMIWPPYLETHD-QZTJIDSGSA-N 1 3 338.540 2.657 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418739806 245268632 /nfs/dbraw/zinc/26/86/32/245268632.db2.gz NFBMIWPPYLETHD-MSOLQXFVSA-N 1 3 338.540 2.657 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000418692617 245248826 /nfs/dbraw/zinc/24/88/26/245248826.db2.gz SGPRLOMXCVFKTB-AWEZNQCLSA-N 1 3 340.899 2.541 20 0 EFADHO CCN(C)C(=O)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420319700 284265615 /nfs/dbraw/zinc/26/56/15/284265615.db2.gz YEDUHNCFLODSJP-INIZCTEOSA-N 1 3 335.517 2.561 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)CC1CCN(C)CC1)CC(C)C ZINC000078441840 217053181 /nfs/dbraw/zinc/05/31/81/217053181.db2.gz ANUDKKHHMJRZCQ-SFHVURJKSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](C)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000111546050 220165556 /nfs/dbraw/zinc/16/55/56/220165556.db2.gz WGZFIAUZCTUWRE-QGZVFWFLSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000421709340 246076350 /nfs/dbraw/zinc/07/63/50/246076350.db2.gz DTAHUXDAAHFOAA-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264276061 246278096 /nfs/dbraw/zinc/27/80/96/246278096.db2.gz TYORIPNYMMRGHD-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000422246544 246316825 /nfs/dbraw/zinc/31/68/25/246316825.db2.gz SUPLTKOAWRSJTH-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699614 246420992 /nfs/dbraw/zinc/42/09/92/246420992.db2.gz ASSUVEYBDIBLSG-APHBMKBZSA-N 1 3 330.394 2.980 20 0 EFADHO CCN(CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000422790958 246460457 /nfs/dbraw/zinc/46/04/57/246460457.db2.gz CMEWTTRVBRXBRD-NHJHPMQKSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OC)c1 ZINC000422790959 246460866 /nfs/dbraw/zinc/46/08/66/246460866.db2.gz CMEWTTRVBRXBRD-WMWLNJEOSA-N 1 3 331.504 2.951 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917644 246513193 /nfs/dbraw/zinc/51/31/93/246513193.db2.gz FJIHUPZOLVSDQG-GSEOLPGOSA-N 1 3 332.488 2.899 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000423072771 246563830 /nfs/dbraw/zinc/56/38/30/246563830.db2.gz JURWAKKZPLCDOR-MGPUTAFESA-N 1 3 327.472 2.741 20 0 EFADHO Cc1ncsc1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158705 246586407 /nfs/dbraw/zinc/58/64/07/246586407.db2.gz XAKFWXOUHCNBAB-QAPCUYQASA-N 1 3 329.469 2.840 20 0 EFADHO CC[NH+](CC)CCCC1CCN(Cc2cnc(N(C)C)n2C)CC1 ZINC000425359978 247057738 /nfs/dbraw/zinc/05/77/38/247057738.db2.gz SGVSNAXCEQBNBD-UHFFFAOYSA-N 1 3 335.540 2.820 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427275555 247332130 /nfs/dbraw/zinc/33/21/30/247332130.db2.gz MLZPHZDGUWSZER-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000427271566 247333798 /nfs/dbraw/zinc/33/37/98/247333798.db2.gz AEXOYPJZNNMZIF-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NCC1CCN(Cc2cccs2)CC1 ZINC000427333412 247339113 /nfs/dbraw/zinc/33/91/13/247339113.db2.gz YXXPTCQQNVTZHP-INIZCTEOSA-N 1 3 349.544 2.856 20 0 EFADHO Cc1cc(C)n(CC[NH+]2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426814145 247302687 /nfs/dbraw/zinc/30/26/87/247302687.db2.gz CTFQRSJTCFVYDA-OALUTQOASA-N 1 3 348.535 2.711 20 0 EFADHO Cc1cc(C)n(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000426814146 247303095 /nfs/dbraw/zinc/30/30/95/247303095.db2.gz CTFQRSJTCFVYDA-RTBURBONSA-N 1 3 348.535 2.711 20 0 EFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000340599151 284582808 /nfs/dbraw/zinc/58/28/08/284582808.db2.gz DBUPRNXBJDPSSZ-OKZBNKHCSA-N 1 3 337.552 2.933 20 0 EFADHO CCn1cccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1=O ZINC000433087768 248014579 /nfs/dbraw/zinc/01/45/79/248014579.db2.gz BLSGUJAGIIDFRP-INIZCTEOSA-N 1 3 343.471 2.659 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433229174 248032480 /nfs/dbraw/zinc/03/24/80/248032480.db2.gz QZDWGZXGERSWPP-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000433500897 248067433 /nfs/dbraw/zinc/06/74/33/248067433.db2.gz BIGLSGSGKMLZCK-HNNXBMFYSA-N 1 3 342.281 2.741 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000434693718 248179293 /nfs/dbraw/zinc/17/92/93/248179293.db2.gz HGHQQXGLAVVTPN-PXNSSMCTSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434331535 248142757 /nfs/dbraw/zinc/14/27/57/248142757.db2.gz BSEGIUHEPSCYRN-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000435240828 248221071 /nfs/dbraw/zinc/22/10/71/248221071.db2.gz QOBULSGYYVVSBZ-IBGZPJMESA-N 1 3 327.472 2.637 20 0 EFADHO COc1ccc(CN2CCC(C[NH3+])CC2)cc1OCc1cccnc1 ZINC000435369819 248230983 /nfs/dbraw/zinc/23/09/83/248230983.db2.gz GVFHPQRKHDRMEH-UHFFFAOYSA-N 1 3 341.455 2.840 20 0 EFADHO CCOC(=O)COc1ccc(CN(CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435387932 248234868 /nfs/dbraw/zinc/23/48/68/248234868.db2.gz CCLDSKGBGMTSOR-KRWDZBQOSA-N 1 3 334.460 2.593 20 0 EFADHO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCNCC1 ZINC000435614942 249388177 /nfs/dbraw/zinc/38/81/77/249388177.db2.gz NZPVBWWDNCKRNB-INIZCTEOSA-N 1 3 343.471 2.527 20 0 EFADHO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCNCC1 ZINC000435614942 249388181 /nfs/dbraw/zinc/38/81/81/249388181.db2.gz NZPVBWWDNCKRNB-INIZCTEOSA-N 1 3 343.471 2.527 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000353852002 284682104 /nfs/dbraw/zinc/68/21/04/284682104.db2.gz RSLWGYGSVRLDAQ-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000441338413 250019654 /nfs/dbraw/zinc/01/96/54/250019654.db2.gz WRAOGSPIVMZIOL-UHFFFAOYSA-N 1 3 333.520 2.981 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cnc(C3CCCC3)s2)CC1(C)C ZINC000441332560 250020731 /nfs/dbraw/zinc/02/07/31/250020731.db2.gz QOSZPZRNOATNTM-UHFFFAOYSA-N 1 3 336.549 2.916 20 0 EFADHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(-c2ccncc2)n1 ZINC000092381299 218137887 /nfs/dbraw/zinc/13/78/87/218137887.db2.gz HCQYXCSYLUUGRN-UHFFFAOYSA-N 1 3 327.476 2.646 20 0 EFADHO Cc1cc2[nH]c(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2c(C)c1 ZINC000441382133 250026740 /nfs/dbraw/zinc/02/67/40/250026740.db2.gz NGJKYMRPCWGSJA-UHFFFAOYSA-N 1 3 328.504 2.900 20 0 EFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767078 250114526 /nfs/dbraw/zinc/11/45/26/250114526.db2.gz LZFGPXVWZNPKII-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767078 250114529 /nfs/dbraw/zinc/11/45/29/250114529.db2.gz LZFGPXVWZNPKII-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767078 250114534 /nfs/dbraw/zinc/11/45/34/250114534.db2.gz LZFGPXVWZNPKII-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO CSc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000442799728 250121298 /nfs/dbraw/zinc/12/12/98/250121298.db2.gz ZRDWHXMMIMLZGN-CABCVRRESA-N 1 3 335.517 2.647 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443054878 250153295 /nfs/dbraw/zinc/15/32/95/250153295.db2.gz ARMSHVDLELQYTK-KKUMJFAQSA-N 1 3 337.895 2.967 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(F)cc1 ZINC000443061704 250154619 /nfs/dbraw/zinc/15/46/19/250154619.db2.gz SHNVDMRKASHDBH-HNAYVOBHSA-N 1 3 335.467 2.700 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000443057810 250154989 /nfs/dbraw/zinc/15/49/89/250154989.db2.gz ICOLPUHTMARQFE-KRWDZBQOSA-N 1 3 329.488 2.874 20 0 EFADHO CC(C)C[C@H](NC(=O)CN1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058549 250155623 /nfs/dbraw/zinc/15/56/23/250155623.db2.gz KQWPPCWKXAZPND-MJGOQNOKSA-N 1 3 331.504 2.951 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@H](CC[NH3+])C2)C1=O ZINC000443070229 250157326 /nfs/dbraw/zinc/15/73/26/250157326.db2.gz KYCCSTDSVONKJC-QAPCUYQASA-N 1 3 333.451 2.690 20 0 EFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443064483 250157484 /nfs/dbraw/zinc/15/74/84/250157484.db2.gz YIMLSUOBKBXEHR-WMZOPIPTSA-N 1 3 347.503 2.713 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443066102 250157839 /nfs/dbraw/zinc/15/78/39/250157839.db2.gz DJZITMAMWCEQAP-LZLYRXPVSA-N 1 3 331.504 2.876 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(CC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000443073077 250157849 /nfs/dbraw/zinc/15/78/49/250157849.db2.gz OKBSUKZVTIGNCQ-FQEVSTJZSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443077118 250158347 /nfs/dbraw/zinc/15/83/47/250158347.db2.gz UBWPRMNZEFSMPT-PKOBYXMFSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC[C@H](CC[NH3+])C1 ZINC000443078628 250158703 /nfs/dbraw/zinc/15/87/03/250158703.db2.gz XELNXDVZKSJCJJ-BZUAXINKSA-N 1 3 335.517 2.861 20 0 EFADHO Cc1cc(C[N@@H+](C)CC[C@@H]2CCCCN2C)ccc1-n1cncn1 ZINC000093659910 218240948 /nfs/dbraw/zinc/24/09/48/218240948.db2.gz QNBQTSJSRDDHJL-SFHVURJKSA-N 1 3 327.476 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)CC[C@@H]2CCCCN2C)ccc1-n1cncn1 ZINC000093659910 218240949 /nfs/dbraw/zinc/24/09/49/218240949.db2.gz QNBQTSJSRDDHJL-SFHVURJKSA-N 1 3 327.476 2.882 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(C(F)(F)F)s1 ZINC000443981265 250243197 /nfs/dbraw/zinc/24/31/97/250243197.db2.gz ANXUSGDWYHYIOZ-SNVBAGLBSA-N 1 3 325.400 2.608 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000444161240 250267578 /nfs/dbraw/zinc/26/75/78/250267578.db2.gz QDUCFZKJQODICL-CYBMUJFWSA-N 1 3 325.403 2.567 20 0 EFADHO CN(CCC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444161240 250267582 /nfs/dbraw/zinc/26/75/82/250267582.db2.gz QDUCFZKJQODICL-CYBMUJFWSA-N 1 3 325.403 2.567 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000444630082 250319454 /nfs/dbraw/zinc/31/94/54/250319454.db2.gz MYKILTAGOASYAI-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000444630082 250319460 /nfs/dbraw/zinc/31/94/60/250319460.db2.gz MYKILTAGOASYAI-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444309206 250286803 /nfs/dbraw/zinc/28/68/03/250286803.db2.gz BGQWRCXGMLESIQ-NUABRCLCSA-N 1 3 343.515 2.884 20 0 EFADHO C[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444309206 250286806 /nfs/dbraw/zinc/28/68/06/250286806.db2.gz BGQWRCXGMLESIQ-NUABRCLCSA-N 1 3 343.515 2.884 20 0 EFADHO COc1ccc(C2([NH2+]CC[C@H]3CCCN3C)CCOCC2)cc1F ZINC000444805908 250351419 /nfs/dbraw/zinc/35/14/19/250351419.db2.gz VEIHXYHGXDSRRQ-MRXNPFEDSA-N 1 3 336.451 2.914 20 0 EFADHO CC(C)[NH+](CCNC(=O)NCCN1CCCC(C)(C)C1)C(C)C ZINC000444890599 250362866 /nfs/dbraw/zinc/36/28/66/250362866.db2.gz QYRHWMAHCKQJNU-UHFFFAOYSA-N 1 3 326.529 2.526 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000095420059 218360647 /nfs/dbraw/zinc/36/06/47/218360647.db2.gz XWRAOBMMCZWTNA-LJQANCHMSA-N 1 3 333.545 2.633 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423309071 284820088 /nfs/dbraw/zinc/82/00/88/284820088.db2.gz KWHNKPKTKKUVBI-IPELMVKDSA-N 1 3 349.519 2.814 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000423309069 284821304 /nfs/dbraw/zinc/82/13/04/284821304.db2.gz KWHNKPKTKKUVBI-ATZDWAIDSA-N 1 3 349.519 2.814 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860338 296311060 /nfs/dbraw/zinc/31/10/60/296311060.db2.gz UIBIYALJZVLOTD-QAPCUYQASA-N 1 3 335.467 2.639 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H](CN)c1ccc(F)cc1 ZINC000358860338 296311061 /nfs/dbraw/zinc/31/10/61/296311061.db2.gz UIBIYALJZVLOTD-QAPCUYQASA-N 1 3 335.467 2.639 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944730 296313236 /nfs/dbraw/zinc/31/32/36/296313236.db2.gz RIAMMMKJSMGCRW-QZTJIDSGSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C23CCCN2CCC3)C1 ZINC000377944730 296313237 /nfs/dbraw/zinc/31/32/37/296313237.db2.gz RIAMMMKJSMGCRW-QZTJIDSGSA-N 1 3 333.520 2.728 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000449161085 250936446 /nfs/dbraw/zinc/93/64/46/250936446.db2.gz DPMKCXYTHWBPTQ-MAUKXSAKSA-N 1 3 346.519 2.747 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000269235369 296313568 /nfs/dbraw/zinc/31/35/68/296313568.db2.gz GIWBNHFJSGETNE-QWFCFKBJSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000269235369 296313569 /nfs/dbraw/zinc/31/35/69/296313569.db2.gz GIWBNHFJSGETNE-QWFCFKBJSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cccc(CC[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)c1 ZINC000449227945 250961579 /nfs/dbraw/zinc/96/15/79/250961579.db2.gz WTKQNKALHWPTJI-UHFFFAOYSA-N 1 3 339.483 2.619 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ncccc2C)CC1 ZINC000449490053 251043116 /nfs/dbraw/zinc/04/31/16/251043116.db2.gz WCZCAASJDJMMQG-UHFFFAOYSA-N 1 3 338.499 2.864 20 0 EFADHO NC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000449498189 251045400 /nfs/dbraw/zinc/04/54/00/251045400.db2.gz SALYGWMSRFUMCM-NEWSRXKRSA-N 1 3 325.456 2.863 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267477340 251093656 /nfs/dbraw/zinc/09/36/56/251093656.db2.gz AUUKFBNLZMXGJR-ZIFCJYIRSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000267477337 251093926 /nfs/dbraw/zinc/09/39/26/251093926.db2.gz AUUKFBNLZMXGJR-AOIWGVFYSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449657703 251100113 /nfs/dbraw/zinc/10/01/13/251100113.db2.gz QJNIZLXFVVACAU-KZNAEPCWSA-N 1 3 334.508 2.844 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267637170 251213638 /nfs/dbraw/zinc/21/36/38/251213638.db2.gz YOOODOLVYUFELL-NRDMVMEKSA-N 1 3 345.531 2.911 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450019242 251233872 /nfs/dbraw/zinc/23/38/72/251233872.db2.gz UNUZVSXTFCXKFP-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000450019242 251233877 /nfs/dbraw/zinc/23/38/77/251233877.db2.gz UNUZVSXTFCXKFP-ICSRJNTNSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1cc(N2CCC(C(=O)NCCC[NH+](CC)CC)CC2)ccn1 ZINC000450255074 251317818 /nfs/dbraw/zinc/31/78/18/251317818.db2.gz AKUYNDKOIUYERM-UHFFFAOYSA-N 1 3 346.519 2.709 20 0 EFADHO CCc1cc(NCc2ccc(CN3CCC(O)CC3)cc2)cc[nH+]1 ZINC000450314853 251341398 /nfs/dbraw/zinc/34/13/98/251341398.db2.gz OFKUHZNLGGFOGC-UHFFFAOYSA-N 1 3 325.456 2.635 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268540958 252007110 /nfs/dbraw/zinc/00/71/10/252007110.db2.gz LACYDKZZKALERB-QGZVFWFLSA-N 1 3 345.487 2.571 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000268582308 252042636 /nfs/dbraw/zinc/04/26/36/252042636.db2.gz TWXZYNVXZKPNIM-KRWDZBQOSA-N 1 3 335.517 2.817 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268760472 252209738 /nfs/dbraw/zinc/20/97/38/252209738.db2.gz NKZKOEHOFRUJBO-AEFFLSMTSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@@H]1C[C@@H](NCCNC(=O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268760472 252209742 /nfs/dbraw/zinc/20/97/42/252209742.db2.gz NKZKOEHOFRUJBO-AEFFLSMTSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268760475 252210646 /nfs/dbraw/zinc/21/06/46/252210646.db2.gz NKZKOEHOFRUJBO-WMZOPIPTSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@H]1C[C@@H](NCCNC(=O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268760475 252210650 /nfs/dbraw/zinc/21/06/50/252210650.db2.gz NKZKOEHOFRUJBO-WMZOPIPTSA-N 1 3 341.455 2.652 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H](C)[C@@H](C)OC)cc1OC ZINC000268773800 252223228 /nfs/dbraw/zinc/22/32/28/252223228.db2.gz AMKDZAKJSRGXNM-HZPDHXFCSA-N 1 3 338.492 2.929 20 0 EFADHO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000268788048 252238852 /nfs/dbraw/zinc/23/88/52/252238852.db2.gz CDQRXSFOBUCPMX-QGZVFWFLSA-N 1 3 349.519 2.926 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268796683 252249133 /nfs/dbraw/zinc/24/91/33/252249133.db2.gz GETWZCHXIGSVEW-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000268812735 252263957 /nfs/dbraw/zinc/26/39/57/252263957.db2.gz LNMJONSLLBRIMG-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000268848811 252296809 /nfs/dbraw/zinc/29/68/09/252296809.db2.gz GUQMGDYCCBIFPV-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000268848811 252296813 /nfs/dbraw/zinc/29/68/13/252296813.db2.gz GUQMGDYCCBIFPV-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268848811 252296817 /nfs/dbraw/zinc/29/68/17/252296817.db2.gz GUQMGDYCCBIFPV-AZUAARDMSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@@H](CN[C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+]1CCCC1 ZINC000268877841 252325430 /nfs/dbraw/zinc/32/54/30/252325430.db2.gz QQSUROHUZPRQCC-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)CN1CCCC1 ZINC000268877841 252325432 /nfs/dbraw/zinc/32/54/32/252325432.db2.gz QQSUROHUZPRQCC-ROUUACIJSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000164603975 296391525 /nfs/dbraw/zinc/39/15/25/296391525.db2.gz ZZGIZPREWKSDPR-CRAIPNDOSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C(C)(C)C)C1 ZINC000164603975 296391527 /nfs/dbraw/zinc/39/15/27/296391527.db2.gz ZZGIZPREWKSDPR-CRAIPNDOSA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303488056 285198102 /nfs/dbraw/zinc/19/81/02/285198102.db2.gz RPDXIZOTSFWBFF-ZHALLVOQSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348628742 285203877 /nfs/dbraw/zinc/20/38/77/285203877.db2.gz VHMIEKBITCIXCV-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000348628742 285203880 /nfs/dbraw/zinc/20/38/80/285203880.db2.gz VHMIEKBITCIXCV-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000429372377 285244855 /nfs/dbraw/zinc/24/48/55/285244855.db2.gz MZSGWIGSSMEOAW-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000429372377 285244856 /nfs/dbraw/zinc/24/48/56/285244856.db2.gz MZSGWIGSSMEOAW-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)nc1C ZINC000176738162 285246309 /nfs/dbraw/zinc/24/63/09/285246309.db2.gz UIJSOYMXRZYHGC-QGZVFWFLSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)nc1C ZINC000176738162 285246310 /nfs/dbraw/zinc/24/63/10/285246310.db2.gz UIJSOYMXRZYHGC-QGZVFWFLSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccn(C(C)C)c1C ZINC000339655005 285249226 /nfs/dbraw/zinc/24/92/26/285249226.db2.gz BNQCAMLPOXPCID-GOSISDBHSA-N 1 3 348.535 2.866 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccn(C(C)C)c1C ZINC000339655005 285249227 /nfs/dbraw/zinc/24/92/27/285249227.db2.gz BNQCAMLPOXPCID-GOSISDBHSA-N 1 3 348.535 2.866 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)(C)C ZINC000342862517 285276433 /nfs/dbraw/zinc/27/64/33/285276433.db2.gz SSFZQTWBQYVMLI-IRXDYDNUSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)(C)C ZINC000342862517 285276435 /nfs/dbraw/zinc/27/64/35/285276435.db2.gz SSFZQTWBQYVMLI-IRXDYDNUSA-N 1 3 325.541 2.933 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)s1 ZINC000346627807 285281199 /nfs/dbraw/zinc/28/11/99/285281199.db2.gz VDJMJRUZEPRSSI-ZDUSSCGKSA-N 1 3 343.924 2.890 20 0 EFADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000454623203 255573492 /nfs/dbraw/zinc/57/34/92/255573492.db2.gz AEWYCMDVDWUGOT-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cc1 ZINC000459454356 255880210 /nfs/dbraw/zinc/88/02/10/255880210.db2.gz DDCYQEMGNNPCDO-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)C[C@@H](CNC(=O)N(C)CCN(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000468015888 256013335 /nfs/dbraw/zinc/01/33/35/256013335.db2.gz HBXHEGURWLTVMW-HKUYNNGSSA-N 1 3 348.535 2.955 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000468013980 256013503 /nfs/dbraw/zinc/01/35/03/256013503.db2.gz MRAXCGADNLYLQD-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CCN(C)C)C1CCCC1 ZINC000468013980 256013504 /nfs/dbraw/zinc/01/35/04/256013504.db2.gz MRAXCGADNLYLQD-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@H](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC ZINC000466157794 256000983 /nfs/dbraw/zinc/00/09/83/256000983.db2.gz AJXTXYQMEPRYNP-RCCFBDPRSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H](C)C[C@@H](C)NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC ZINC000466157794 256000984 /nfs/dbraw/zinc/00/09/84/256000984.db2.gz AJXTXYQMEPRYNP-RCCFBDPRSA-N 1 3 340.556 2.869 20 0 EFADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+]1CCCC1 ZINC000118776317 221180526 /nfs/dbraw/zinc/18/05/26/221180526.db2.gz POONOYJHVSAPOI-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000118785153 221181016 /nfs/dbraw/zinc/18/10/16/221181016.db2.gz BARZTGCAPAVHIQ-CQSZACIVSA-N 1 3 331.460 2.955 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000118785153 221181019 /nfs/dbraw/zinc/18/10/19/221181019.db2.gz BARZTGCAPAVHIQ-CQSZACIVSA-N 1 3 331.460 2.955 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000119487587 221332129 /nfs/dbraw/zinc/33/21/29/221332129.db2.gz RGNTVPQFPPGVQI-LMMKCTJWSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1)C1CC1 ZINC000299740196 258009780 /nfs/dbraw/zinc/00/97/80/258009780.db2.gz WUMFHOBIZZXBQD-DNVCBOLYSA-N 1 3 329.488 2.870 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178199738 533369926 /nfs/dbraw/zinc/36/99/26/533369926.db2.gz AXOONRYFSYMJED-QGZVFWFLSA-N 1 3 347.503 2.680 20 0 EFADHO C[C@@H](NCc1cccc(CO)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000177840429 533455388 /nfs/dbraw/zinc/45/53/88/533455388.db2.gz VTJQMUFRGJYANY-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000166566114 533530941 /nfs/dbraw/zinc/53/09/41/533530941.db2.gz OTFDADHUXONBMY-GQWLDOHISA-N 1 3 340.467 2.936 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCCC1CC[NH+](C)CC1 ZINC000183556817 533572893 /nfs/dbraw/zinc/57/28/93/533572893.db2.gz PBNCQSRLAJDKNY-HNNXBMFYSA-N 1 3 334.460 2.621 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000168508152 533589303 /nfs/dbraw/zinc/58/93/03/533589303.db2.gz XCWMYOAPWSCWKQ-YSHGAJCASA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1C1CC1 ZINC000153252327 533643291 /nfs/dbraw/zinc/64/32/91/533643291.db2.gz PPOLYNDJDWODSH-YLJYHZDGSA-N 1 3 327.516 2.908 20 0 EFADHO c1cc(N2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)ccn1 ZINC000298447494 132391793 /nfs/dbraw/zinc/39/17/93/132391793.db2.gz NTNYDIFGPHPIMH-UHFFFAOYSA-N 1 3 325.412 2.611 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000126406154 141367240 /nfs/dbraw/zinc/36/72/40/141367240.db2.gz NFWRMASNKMSZGM-LPHOPBHVSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000126406154 141367242 /nfs/dbraw/zinc/36/72/42/141367242.db2.gz NFWRMASNKMSZGM-LPHOPBHVSA-N 1 3 331.504 2.875 20 0 EFADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000433361662 304319066 /nfs/dbraw/zinc/31/90/66/304319066.db2.gz NFWRXPVTIDWHIW-OALUTQOASA-N 1 3 333.520 2.870 20 0 EFADHO COc1ccccc1-c1ccc(C[NH2+]CC2(O)CCN(C)CC2)cc1 ZINC000344552376 142039181 /nfs/dbraw/zinc/03/91/81/142039181.db2.gz NNBZKOYLELBEJG-UHFFFAOYSA-N 1 3 340.467 2.909 20 0 EFADHO C[NH+]1CCC(O)(CNCc2cc(Br)ccc2Cl)CC1 ZINC000344558007 142040189 /nfs/dbraw/zinc/04/01/89/142040189.db2.gz WJSWXVQSIXOSHQ-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CNC2CC[NH+](CCOC(C)C)CC2)o1 ZINC000344621979 142051072 /nfs/dbraw/zinc/05/10/72/142051072.db2.gz KQPZHPAQOXNNJH-UHFFFAOYSA-N 1 3 346.475 2.957 20 0 EFADHO CC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)N1CCc2ccccc2C1 ZINC000344644453 142054655 /nfs/dbraw/zinc/05/46/55/142054655.db2.gz OJWWQKCYHHIWDD-MBOZVWFJSA-N 1 3 343.515 2.812 20 0 EFADHO O=C(NCC[NH+]1CCCCCC1)c1cccc(CN2CCCC2)c1 ZINC000344653369 142055916 /nfs/dbraw/zinc/05/59/16/142055916.db2.gz CITQMVYWSUPVBJ-UHFFFAOYSA-N 1 3 329.488 2.888 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344722512 142067083 /nfs/dbraw/zinc/06/70/83/142067083.db2.gz ZYZJDECWARXFJN-INIZCTEOSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000344722512 142067084 /nfs/dbraw/zinc/06/70/84/142067084.db2.gz ZYZJDECWARXFJN-INIZCTEOSA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+](CC)CC ZINC000345982983 142128007 /nfs/dbraw/zinc/12/80/07/142128007.db2.gz WTMZDJXEYSCCRQ-MOPGFXCFSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000346255381 142177385 /nfs/dbraw/zinc/17/73/85/142177385.db2.gz CRFSHAKEBXIQQM-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H](C)C1 ZINC000346255379 142177644 /nfs/dbraw/zinc/17/76/44/142177644.db2.gz CRFSHAKEBXIQQM-BZSNNMDCSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346266923 142179785 /nfs/dbraw/zinc/17/97/85/142179785.db2.gz BLCRCGQTRBXUGO-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347534410 142232054 /nfs/dbraw/zinc/23/20/54/142232054.db2.gz PLNGDVLQEWKAHU-HZPDHXFCSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548471 142234272 /nfs/dbraw/zinc/23/42/72/142234272.db2.gz GTRYGKPRYMTEET-IIBYNOLFSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347548471 142234273 /nfs/dbraw/zinc/23/42/73/142234273.db2.gz GTRYGKPRYMTEET-IIBYNOLFSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000347753304 142266655 /nfs/dbraw/zinc/26/66/55/142266655.db2.gz JCCHVQQXSXZMKU-QYZOEREBSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000347755994 142267345 /nfs/dbraw/zinc/26/73/45/142267345.db2.gz QTYCZQDUOZCSJQ-GGPKGHCWSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347755994 142267346 /nfs/dbraw/zinc/26/73/46/142267346.db2.gz QTYCZQDUOZCSJQ-GGPKGHCWSA-N 1 3 343.515 2.840 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000348077850 142317812 /nfs/dbraw/zinc/31/78/12/142317812.db2.gz PHJSTNHCUNJTMT-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO COc1c(C)cc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000349321427 142320452 /nfs/dbraw/zinc/32/04/52/142320452.db2.gz XSWCZNJCCDCVQH-GOSISDBHSA-N 1 3 345.531 2.912 20 0 EFADHO O[C@H](CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000349331606 142321739 /nfs/dbraw/zinc/32/17/39/142321739.db2.gz MAFLETLDJQYMHI-YYIAUSFCSA-N 1 3 342.405 2.800 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349412233 142328164 /nfs/dbraw/zinc/32/81/64/142328164.db2.gz YFMCCWOAOLIUJV-YBVXAUJNSA-N 1 3 349.563 2.682 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349412233 142328165 /nfs/dbraw/zinc/32/81/65/142328165.db2.gz YFMCCWOAOLIUJV-YBVXAUJNSA-N 1 3 349.563 2.682 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCCn2ccnc2)CC1 ZINC000349412231 142328618 /nfs/dbraw/zinc/32/86/18/142328618.db2.gz YFKHFJJIXOYVLH-UHFFFAOYSA-N 1 3 341.503 2.547 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCCn2ccnc2)CC1 ZINC000349412231 142328619 /nfs/dbraw/zinc/32/86/19/142328619.db2.gz YFKHFJJIXOYVLH-UHFFFAOYSA-N 1 3 341.503 2.547 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000349607884 142340303 /nfs/dbraw/zinc/34/03/03/142340303.db2.gz DPKZDXTWDMGKPG-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349607884 142340304 /nfs/dbraw/zinc/34/03/04/142340304.db2.gz DPKZDXTWDMGKPG-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000349739329 142353625 /nfs/dbraw/zinc/35/36/25/142353625.db2.gz BQAOXDKXZJRXPH-ZWKOTPCHSA-N 1 3 340.556 2.870 20 0 EFADHO COc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000350556080 142434231 /nfs/dbraw/zinc/43/42/31/142434231.db2.gz MMYQLKUBEXIXDQ-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000341134873 144998842 /nfs/dbraw/zinc/99/88/42/144998842.db2.gz VCOIYWQVJIGERY-SOLBZPMBSA-N 1 3 346.519 2.898 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000341185919 145008345 /nfs/dbraw/zinc/00/83/45/145008345.db2.gz BYFDEQPQVMQOCG-HKUYNNGSSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000341185919 145008346 /nfs/dbraw/zinc/00/83/46/145008346.db2.gz BYFDEQPQVMQOCG-HKUYNNGSSA-N 1 3 346.519 2.551 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000341205035 145012551 /nfs/dbraw/zinc/01/25/51/145012551.db2.gz QGVKTQHGQOIXJG-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341333015 145034951 /nfs/dbraw/zinc/03/49/51/145034951.db2.gz YHCPXYZITFGBKV-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341333015 145034952 /nfs/dbraw/zinc/03/49/52/145034952.db2.gz YHCPXYZITFGBKV-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO Cn1ccnc1COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342129786 145067347 /nfs/dbraw/zinc/06/73/47/145067347.db2.gz HJMGHFBLSLBVPC-WDSOQIARSA-N 1 3 340.471 2.558 20 0 EFADHO NC1(C[NH2+]CCOc2ccc(Cl)cc2Br)CCC1 ZINC000342137908 145068606 /nfs/dbraw/zinc/06/86/06/145068606.db2.gz PLQBAKWXJKGFAH-UHFFFAOYSA-N 1 3 333.657 2.952 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCOCCN(C)C ZINC000342161992 145073008 /nfs/dbraw/zinc/07/30/08/145073008.db2.gz MGWOMRSCIBGRLV-GFCCVEGCSA-N 1 3 347.272 2.687 20 0 EFADHO CCOC1CC([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000342547211 145146690 /nfs/dbraw/zinc/14/66/90/145146690.db2.gz RTJMLXWYLWAWHM-UHFFFAOYSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342699160 145174653 /nfs/dbraw/zinc/17/46/53/145174653.db2.gz VDFQLNGNELRQGN-TXPKVOOTSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342814358 145199452 /nfs/dbraw/zinc/19/94/52/145199452.db2.gz WHMWTBNKYZTNOK-IERDGZPVSA-N 1 3 343.515 2.732 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930303 145223373 /nfs/dbraw/zinc/22/33/73/145223373.db2.gz SVCDGAQGYUGUBL-OXQOHEQNSA-N 1 3 331.504 2.643 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930303 145223375 /nfs/dbraw/zinc/22/33/75/145223375.db2.gz SVCDGAQGYUGUBL-OXQOHEQNSA-N 1 3 331.504 2.643 20 0 EFADHO CC[N@H+]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000342930301 145223857 /nfs/dbraw/zinc/22/38/57/145223857.db2.gz SVCDGAQGYUGUBL-JXFKEZNVSA-N 1 3 331.504 2.643 20 0 EFADHO CC[N@@H+]1C[C@H](Nc2cccc(CN3CCC(CO)CC3)c2)[C@@H](C)C1 ZINC000342930301 145223858 /nfs/dbraw/zinc/22/38/58/145223858.db2.gz SVCDGAQGYUGUBL-JXFKEZNVSA-N 1 3 331.504 2.643 20 0 EFADHO CC1(C)CN(CCOCC[N@@H+]2CCSC(C)(C)C2)CCS1 ZINC000343702514 145274991 /nfs/dbraw/zinc/27/49/91/145274991.db2.gz FIZQQUYGXHMZDV-UHFFFAOYSA-N 1 3 332.579 2.658 20 0 EFADHO CC1(C)CN(CCOCC[N@H+]2CCSC(C)(C)C2)CCS1 ZINC000343702514 145274992 /nfs/dbraw/zinc/27/49/92/145274992.db2.gz FIZQQUYGXHMZDV-UHFFFAOYSA-N 1 3 332.579 2.658 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343749343 145286178 /nfs/dbraw/zinc/28/61/78/145286178.db2.gz LVGMQBFWENOZHL-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO COc1ccc(C)cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343749343 145286181 /nfs/dbraw/zinc/28/61/81/145286181.db2.gz LVGMQBFWENOZHL-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO COc1ccc(C)cc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343749343 145286183 /nfs/dbraw/zinc/28/61/83/145286183.db2.gz LVGMQBFWENOZHL-QGZVFWFLSA-N 1 3 331.504 2.604 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343763431 145288568 /nfs/dbraw/zinc/28/85/68/145288568.db2.gz LKXRKIBOPOKUTF-GGPKGHCWSA-N 1 3 337.552 2.682 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343763431 145288569 /nfs/dbraw/zinc/28/85/69/145288569.db2.gz LKXRKIBOPOKUTF-GGPKGHCWSA-N 1 3 337.552 2.682 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343763449 145289210 /nfs/dbraw/zinc/28/92/10/145289210.db2.gz LKXRKIBOPOKUTF-WSTZPKSXSA-N 1 3 337.552 2.682 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343763449 145289212 /nfs/dbraw/zinc/28/92/12/145289212.db2.gz LKXRKIBOPOKUTF-WSTZPKSXSA-N 1 3 337.552 2.682 20 0 EFADHO Cc1cccn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cnc12 ZINC000343779880 145292433 /nfs/dbraw/zinc/29/24/33/145292433.db2.gz LGZBOIZIYBVNDX-CALCHBBNSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343805092 145298645 /nfs/dbraw/zinc/29/86/45/145298645.db2.gz YDBXIKBZFKYLNJ-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343805092 145298647 /nfs/dbraw/zinc/29/86/47/145298647.db2.gz YDBXIKBZFKYLNJ-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000343878660 145314887 /nfs/dbraw/zinc/31/48/87/145314887.db2.gz PXSWMTRTCXSJRV-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343919544 145324768 /nfs/dbraw/zinc/32/47/68/145324768.db2.gz GCRXQCFXAKTQSQ-YSGRDPCXSA-N 1 3 331.479 2.771 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2COc3ccccc32)[C@@H](C)C1 ZINC000344009904 145344699 /nfs/dbraw/zinc/34/46/99/145344699.db2.gz ZPOHFJDLIUNZPX-LNLFQRSKSA-N 1 3 332.488 2.889 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2COc3ccccc32)[C@@H](C)C1 ZINC000344009904 145344700 /nfs/dbraw/zinc/34/47/00/145344700.db2.gz ZPOHFJDLIUNZPX-LNLFQRSKSA-N 1 3 332.488 2.889 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@H](OC)c1ccccc1 ZINC000344169391 145384074 /nfs/dbraw/zinc/38/40/74/145384074.db2.gz PTBYLXGRANBNHG-FQEVSTJZSA-N 1 3 333.520 2.724 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@H](OC)c1ccccc1 ZINC000344169391 145384075 /nfs/dbraw/zinc/38/40/75/145384075.db2.gz PTBYLXGRANBNHG-FQEVSTJZSA-N 1 3 333.520 2.724 20 0 EFADHO CCc1ccc(CN2CCC(C(=O)NCCC[NH+](CC)CC)CC2)o1 ZINC000348905553 146022126 /nfs/dbraw/zinc/02/21/26/146022126.db2.gz RFSUTIHYHBILHK-UHFFFAOYSA-N 1 3 349.519 2.902 20 0 EFADHO CCCCCOc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348971880 146031144 /nfs/dbraw/zinc/03/11/44/146031144.db2.gz ZGXPLVDDDQYUHG-LJQANCHMSA-N 1 3 331.504 2.735 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(OCC2CC2)cc1 ZINC000349040694 146041311 /nfs/dbraw/zinc/04/13/11/146041311.db2.gz VKRCHUNLRPYEID-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)CC1=Cc2ccccc2OC1 ZINC000349063538 146045219 /nfs/dbraw/zinc/04/52/19/146045219.db2.gz QBBZHZRVXYQNHO-HXUWFJFHSA-N 1 3 343.515 2.810 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)CC1=Cc2ccccc2OC1 ZINC000349063538 146045220 /nfs/dbraw/zinc/04/52/20/146045220.db2.gz QBBZHZRVXYQNHO-HXUWFJFHSA-N 1 3 343.515 2.810 20 0 EFADHO CCCc1csc(CN(CC[NH+](C)C)C[C@@H]2CCCN2CC)n1 ZINC000349063562 146045367 /nfs/dbraw/zinc/04/53/67/146045367.db2.gz QHFRJWLAVGEDBA-KRWDZBQOSA-N 1 3 338.565 2.944 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1N(C)C ZINC000349061767 146045462 /nfs/dbraw/zinc/04/54/62/146045462.db2.gz JXVYYLSBSBBJAF-LJQANCHMSA-N 1 3 332.536 2.601 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1N(C)C ZINC000349061767 146045464 /nfs/dbraw/zinc/04/54/64/146045464.db2.gz JXVYYLSBSBBJAF-LJQANCHMSA-N 1 3 332.536 2.601 20 0 EFADHO CC(C)CCn1cccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000349064145 146046395 /nfs/dbraw/zinc/04/63/95/146046395.db2.gz UDUFCQBEZJRWSK-UHFFFAOYSA-N 1 3 334.552 2.992 20 0 EFADHO CN(CCSCc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000349073859 146047295 /nfs/dbraw/zinc/04/72/95/146047295.db2.gz LQYFKENHQLCUKI-UHFFFAOYSA-N 1 3 335.561 2.878 20 0 EFADHO CN(CCSCc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000349073859 146047296 /nfs/dbraw/zinc/04/72/96/146047296.db2.gz LQYFKENHQLCUKI-UHFFFAOYSA-N 1 3 335.561 2.878 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)c(F)cc1F ZINC000349080317 146048864 /nfs/dbraw/zinc/04/88/64/146048864.db2.gz ULJQEELBNIMSAG-OAHLLOKOSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)c(F)cc1F ZINC000349080317 146048866 /nfs/dbraw/zinc/04/88/66/146048866.db2.gz ULJQEELBNIMSAG-OAHLLOKOSA-N 1 3 343.437 2.952 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](CC)CC ZINC000349086618 146050655 /nfs/dbraw/zinc/05/06/55/146050655.db2.gz DUWDMPLSNLDOJG-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000349158129 146061036 /nfs/dbraw/zinc/06/10/36/146061036.db2.gz ZKFHBVVKFLDFIU-OAQYLSRUSA-N 1 3 345.531 2.956 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000349158129 146061039 /nfs/dbraw/zinc/06/10/39/146061039.db2.gz ZKFHBVVKFLDFIU-OAQYLSRUSA-N 1 3 345.531 2.956 20 0 EFADHO Cc1cc(Cl)cc(CN2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000350781044 146090154 /nfs/dbraw/zinc/09/01/54/146090154.db2.gz LLIWGAWSTJZGKU-UHFFFAOYSA-N 1 3 337.895 2.538 20 0 EFADHO C[C@H](CN(C)C[C@@H]1CCCC[C@H]1O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140311 146112113 /nfs/dbraw/zinc/11/21/13/146112113.db2.gz GMQJVRYTJOEFNJ-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN(C)C[C@@H]1CCCC[C@H]1O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140311 146112116 /nfs/dbraw/zinc/11/21/16/146112116.db2.gz GMQJVRYTJOEFNJ-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000351140311 146112117 /nfs/dbraw/zinc/11/21/17/146112117.db2.gz GMQJVRYTJOEFNJ-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000351140311 146112120 /nfs/dbraw/zinc/11/21/20/146112120.db2.gz GMQJVRYTJOEFNJ-VYJAJWGXSA-N 1 3 340.552 2.588 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000351776360 146201199 /nfs/dbraw/zinc/20/11/99/146201199.db2.gz TUKPCICOVUYAGM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000351776360 146201200 /nfs/dbraw/zinc/20/12/00/146201200.db2.gz TUKPCICOVUYAGM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000351816916 146209166 /nfs/dbraw/zinc/20/91/66/146209166.db2.gz VGYXFAAAJDEIKM-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000351816916 146209168 /nfs/dbraw/zinc/20/91/68/146209168.db2.gz VGYXFAAAJDEIKM-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(-c2noc(CCCN3CC[C@H]([C@H](C)[NH3+])C3)n2)cc1F ZINC000351850595 146217680 /nfs/dbraw/zinc/21/76/80/146217680.db2.gz JFBRUHYGILPVRR-ZFWWWQNUSA-N 1 3 332.423 2.786 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N(C)[C@H](C)C1CCN(C)CC1)C(C)C ZINC000352155887 146303452 /nfs/dbraw/zinc/30/34/52/146303452.db2.gz WJAMHGGZWGJPJO-QGZVFWFLSA-N 1 3 340.556 2.867 20 0 EFADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000352823829 146324364 /nfs/dbraw/zinc/32/43/64/146324364.db2.gz OQNUGNQSHCXVOI-SCOADAFUSA-N 1 3 340.414 2.738 20 0 EFADHO CCCCNC(=O)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352827509 146326175 /nfs/dbraw/zinc/32/61/75/146326175.db2.gz VWDKLIQDRNPJTM-NRFANRHFSA-N 1 3 343.515 2.891 20 0 EFADHO CCCCNC(=O)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352827509 146326179 /nfs/dbraw/zinc/32/61/79/146326179.db2.gz VWDKLIQDRNPJTM-NRFANRHFSA-N 1 3 343.515 2.891 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCCNc1cccc(Br)c1 ZINC000352969337 146361903 /nfs/dbraw/zinc/36/19/03/146361903.db2.gz RLNIQAQEBJCNBL-SWLSCSKDSA-N 1 3 326.282 2.791 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCCNc1cccc(Br)c1 ZINC000352969337 146361905 /nfs/dbraw/zinc/36/19/05/146361905.db2.gz RLNIQAQEBJCNBL-SWLSCSKDSA-N 1 3 326.282 2.791 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)C(C)C ZINC000355783000 147062161 /nfs/dbraw/zinc/06/21/61/147062161.db2.gz YFMBZMSIHQRWED-QZTJIDSGSA-N 1 3 340.556 2.867 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000356180801 147169444 /nfs/dbraw/zinc/16/94/44/147169444.db2.gz KSYMFDRJKZEUFT-NZSAHSFTSA-N 1 3 344.503 2.558 20 0 EFADHO C[NH+](C)CCCOc1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000356182596 147169448 /nfs/dbraw/zinc/16/94/48/147169448.db2.gz ICIUNHCUBOWURT-UHFFFAOYSA-N 1 3 339.443 2.530 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000356282190 147199604 /nfs/dbraw/zinc/19/96/04/147199604.db2.gz PIYGLUFMMXXNTK-SJLPKXTDSA-N 1 3 329.488 2.731 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000356688304 147310058 /nfs/dbraw/zinc/31/00/58/147310058.db2.gz ZKCRAIGXACYOIV-OAQYLSRUSA-N 1 3 345.531 2.743 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000356688303 147310369 /nfs/dbraw/zinc/31/03/69/147310369.db2.gz ZKCRAIGXACYOIV-NRFANRHFSA-N 1 3 345.531 2.743 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1 ZINC000356843567 147351708 /nfs/dbraw/zinc/35/17/08/147351708.db2.gz LQUJMLMGBCBCDL-XUVXKRRUSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000356843567 147351711 /nfs/dbraw/zinc/35/17/11/147351711.db2.gz LQUJMLMGBCBCDL-XUVXKRRUSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000356843567 147351714 /nfs/dbraw/zinc/35/17/14/147351714.db2.gz LQUJMLMGBCBCDL-XUVXKRRUSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)nc1 ZINC000356843559 147351986 /nfs/dbraw/zinc/35/19/86/147351986.db2.gz LQUJMLMGBCBCDL-HSALFYBXSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000356843559 147351990 /nfs/dbraw/zinc/35/19/90/147351990.db2.gz LQUJMLMGBCBCDL-HSALFYBXSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC000356843559 147351993 /nfs/dbraw/zinc/35/19/93/147351993.db2.gz LQUJMLMGBCBCDL-HSALFYBXSA-N 1 3 336.483 2.828 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356860283 147356436 /nfs/dbraw/zinc/35/64/36/147356436.db2.gz YKBVXXVETDTZJO-PMACEKPBSA-N 1 3 345.531 2.994 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000356860285 147356680 /nfs/dbraw/zinc/35/66/80/147356680.db2.gz YKBVXXVETDTZJO-VQTJNVASSA-N 1 3 345.531 2.994 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@H]1CCCOC1 ZINC000356878264 147360786 /nfs/dbraw/zinc/36/07/86/147360786.db2.gz SRIRNOPTNGHHQF-LPHOPBHVSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000356891603 147364846 /nfs/dbraw/zinc/36/48/46/147364846.db2.gz GZHHFXHQZRCVPF-RXVVDRJESA-N 1 3 345.531 2.729 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1)CC1CC1 ZINC000356895687 147365938 /nfs/dbraw/zinc/36/59/38/147365938.db2.gz QJMDPFQPZLLXKS-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1)CC1CC1 ZINC000356895687 147365941 /nfs/dbraw/zinc/36/59/41/147365941.db2.gz QJMDPFQPZLLXKS-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)C(F)(F)F ZINC000358188884 147732537 /nfs/dbraw/zinc/73/25/37/147732537.db2.gz SIZXABNLXJGOER-LLVKDONJSA-N 1 3 344.381 2.749 20 0 EFADHO c1ccc2sc(N3CCN(CCC4CC[NH2+]CC4)CC3)nc2c1 ZINC000359206327 148023549 /nfs/dbraw/zinc/02/35/49/148023549.db2.gz HNKYUIYMCYDHOY-UHFFFAOYSA-N 1 3 330.501 2.808 20 0 EFADHO CCOc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359219957 148026806 /nfs/dbraw/zinc/02/68/06/148026806.db2.gz NEADINMXNUBXJB-UHFFFAOYSA-N 1 3 331.504 2.593 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359226041 148028843 /nfs/dbraw/zinc/02/88/43/148028843.db2.gz MWPGSWGVVLMFNC-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000359226041 148028844 /nfs/dbraw/zinc/02/88/44/148028844.db2.gz MWPGSWGVVLMFNC-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H](CCO)C3CCOCC3)CC2)C1 ZINC000359401347 148075937 /nfs/dbraw/zinc/07/59/37/148075937.db2.gz SOOIVCDJZIWLRO-AHRSYUTCSA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000359666084 148157258 /nfs/dbraw/zinc/15/72/58/148157258.db2.gz VMAJBDBGCPWLDH-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000359666084 148157260 /nfs/dbraw/zinc/15/72/60/148157260.db2.gz VMAJBDBGCPWLDH-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C[C@H](C)O1 ZINC000359666084 148157262 /nfs/dbraw/zinc/15/72/62/148157262.db2.gz VMAJBDBGCPWLDH-DCXXXQMHSA-N 1 3 345.531 2.726 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)CN2CCCCC2)[C@@H](C)C1 ZINC000360154658 148285825 /nfs/dbraw/zinc/28/58/25/148285825.db2.gz UYOCSSXHPBIYPX-AABGKKOBSA-N 1 3 339.568 2.835 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(-c2ccncc2)c1 ZINC000360244063 148309431 /nfs/dbraw/zinc/30/94/31/148309431.db2.gz ZAEIJUWPXMFXQQ-UZLBHIALSA-N 1 3 325.456 2.856 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360296505 148323467 /nfs/dbraw/zinc/32/34/67/148323467.db2.gz PHKGFPLGNLJCES-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360296505 148323469 /nfs/dbraw/zinc/32/34/69/148323469.db2.gz PHKGFPLGNLJCES-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360296507 148323750 /nfs/dbraw/zinc/32/37/50/148323750.db2.gz PHKGFPLGNLJCES-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360296507 148323754 /nfs/dbraw/zinc/32/37/54/148323754.db2.gz PHKGFPLGNLJCES-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360296506 148323909 /nfs/dbraw/zinc/32/39/09/148323909.db2.gz PHKGFPLGNLJCES-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360296506 148323910 /nfs/dbraw/zinc/32/39/10/148323910.db2.gz PHKGFPLGNLJCES-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000363866048 149023452 /nfs/dbraw/zinc/02/34/52/149023452.db2.gz VNBAMDCEIVTPJX-ROUUACIJSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000363866048 149023453 /nfs/dbraw/zinc/02/34/53/149023453.db2.gz VNBAMDCEIVTPJX-ROUUACIJSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000078441260 292198975 /nfs/dbraw/zinc/19/89/75/292198975.db2.gz HYYQRHNUDYFUIF-LJQANCHMSA-N 1 3 346.519 2.581 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452795 149156311 /nfs/dbraw/zinc/15/63/11/149156311.db2.gz YGVDHOBDPFBGIM-QXAKKESOSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452795 149156313 /nfs/dbraw/zinc/15/63/13/149156313.db2.gz YGVDHOBDPFBGIM-QXAKKESOSA-N 1 3 331.504 2.904 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737968 149231300 /nfs/dbraw/zinc/23/13/00/149231300.db2.gz GMPGBDRVYIKMQN-UXHICEINSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(Cc2ccccc2)CC1 ZINC000364737968 149231302 /nfs/dbraw/zinc/23/13/02/149231302.db2.gz GMPGBDRVYIKMQN-UXHICEINSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000368100276 150036827 /nfs/dbraw/zinc/03/68/27/150036827.db2.gz HGSMHDPUGRFNHT-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C12CCCN1CCC2 ZINC000368100276 150036829 /nfs/dbraw/zinc/03/68/29/150036829.db2.gz HGSMHDPUGRFNHT-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000368103158 150038429 /nfs/dbraw/zinc/03/84/29/150038429.db2.gz SRZICLFTXPAADP-IHPCNDPISA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000368103158 150038432 /nfs/dbraw/zinc/03/84/32/150038432.db2.gz SRZICLFTXPAADP-IHPCNDPISA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)(CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)N1CCCCC1 ZINC000369044848 150262999 /nfs/dbraw/zinc/26/29/99/150262999.db2.gz UETGTICSIBQMBO-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000369185756 150296031 /nfs/dbraw/zinc/29/60/31/150296031.db2.gz ACRGNLSSTQNACC-PMACEKPBSA-N 1 3 337.552 2.541 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000369185756 150296033 /nfs/dbraw/zinc/29/60/33/150296033.db2.gz ACRGNLSSTQNACC-PMACEKPBSA-N 1 3 337.552 2.541 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000370553980 150620866 /nfs/dbraw/zinc/62/08/66/150620866.db2.gz LVVLSMXJGGFFHD-SFHVURJKSA-N 1 3 325.460 2.699 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCCC12CC[NH+](C)CC2)c1ccccc1 ZINC000372433675 151005647 /nfs/dbraw/zinc/00/56/47/151005647.db2.gz MYJASNFEZWLNRK-SFHVURJKSA-N 1 3 344.503 2.559 20 0 EFADHO Cn1nccc1N1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000373207533 151133659 /nfs/dbraw/zinc/13/36/59/151133659.db2.gz XCKVTSJDKCPBSE-GOSISDBHSA-N 1 3 345.535 2.776 20 0 EFADHO Cn1nccc1N1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000373207533 151133661 /nfs/dbraw/zinc/13/36/61/151133661.db2.gz XCKVTSJDKCPBSE-GOSISDBHSA-N 1 3 345.535 2.776 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)NCC3=CCN(C)CC3)CC2)CC1 ZINC000373220337 151136666 /nfs/dbraw/zinc/13/66/66/151136666.db2.gz ZKFBKEAGLJAOSS-UHFFFAOYSA-N 1 3 348.535 2.591 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000373564617 151191054 /nfs/dbraw/zinc/19/10/54/151191054.db2.gz ZEJPBPVPSFZGJT-QBYUYEEZSA-N 1 3 335.517 2.635 20 0 EFADHO CCn1nccc1CC[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373755279 151221267 /nfs/dbraw/zinc/22/12/67/151221267.db2.gz WBFNUHHMFGXROJ-HDICACEKSA-N 1 3 348.535 2.657 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000373989525 151262947 /nfs/dbraw/zinc/26/29/47/151262947.db2.gz JBRIFIYVPHYZFX-YLJYHZDGSA-N 1 3 346.519 2.538 20 0 EFADHO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(C3CCCC3)CC2)cn1 ZINC000374181330 151297158 /nfs/dbraw/zinc/29/71/58/151297158.db2.gz BAYBMXIEFGWGNM-UZLBHIALSA-N 1 3 346.519 2.977 20 0 EFADHO CCn1cc([C@H]2OCC[C@@H]2CNC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000374181330 151297160 /nfs/dbraw/zinc/29/71/60/151297160.db2.gz BAYBMXIEFGWGNM-UZLBHIALSA-N 1 3 346.519 2.977 20 0 EFADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374322453 151322676 /nfs/dbraw/zinc/32/26/76/151322676.db2.gz DEQBVODOUUALHG-GHTZIAJQSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1cccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374322453 151322678 /nfs/dbraw/zinc/32/26/78/151322678.db2.gz DEQBVODOUUALHG-GHTZIAJQSA-N 1 3 345.531 2.932 20 0 EFADHO Cc1ccccc1OCCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374325256 151323509 /nfs/dbraw/zinc/32/35/09/151323509.db2.gz OOQHZPATDHWYPA-VQTJNVASSA-N 1 3 345.531 2.722 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000374530141 151363129 /nfs/dbraw/zinc/36/31/29/151363129.db2.gz ZZGDKEITOOHQOY-ILZDJORESA-N 1 3 348.487 2.616 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374632730 151385567 /nfs/dbraw/zinc/38/55/67/151385567.db2.gz VEVXFCPWCFTBQB-LXZKKBNFSA-N 1 3 341.455 2.694 20 0 EFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443059346 292258160 /nfs/dbraw/zinc/25/81/60/292258160.db2.gz MNHDHTQPOJCOQG-UZLBHIALSA-N 1 3 329.488 2.623 20 0 EFADHO C[N@H+](Cc1ccccc1CNC(=O)[C@]1(F)CCNC1)C1CCCCC1 ZINC000378201419 152030477 /nfs/dbraw/zinc/03/04/77/152030477.db2.gz JWKBFRWXAXFQKU-FQEVSTJZSA-N 1 3 347.478 2.769 20 0 EFADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@]1(F)CCNC1)C1CCCCC1 ZINC000378201419 152030480 /nfs/dbraw/zinc/03/04/80/152030480.db2.gz JWKBFRWXAXFQKU-FQEVSTJZSA-N 1 3 347.478 2.769 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[C@H]2C1 ZINC000378528838 152110073 /nfs/dbraw/zinc/11/00/73/152110073.db2.gz LTIKSMBKYLQOQM-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[C@@H]2C1 ZINC000378528840 152110228 /nfs/dbraw/zinc/11/02/28/152110228.db2.gz LTIKSMBKYLQOQM-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)C2CC2)cc1 ZINC000351472672 286303347 /nfs/dbraw/zinc/30/33/47/286303347.db2.gz BPPBIKJFEZBJES-DNVCBOLYSA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)C2CC2)cc1 ZINC000351472672 286303348 /nfs/dbraw/zinc/30/33/48/286303348.db2.gz BPPBIKJFEZBJES-DNVCBOLYSA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309423 286356823 /nfs/dbraw/zinc/35/68/23/286356823.db2.gz TWHPPVSMSVUOHN-AZUAARDMSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309423 286356824 /nfs/dbraw/zinc/35/68/24/286356824.db2.gz TWHPPVSMSVUOHN-AZUAARDMSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309423 286356826 /nfs/dbraw/zinc/35/68/26/286356826.db2.gz TWHPPVSMSVUOHN-AZUAARDMSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](NCCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000423183623 286375681 /nfs/dbraw/zinc/37/56/81/286375681.db2.gz LGZIQHABJBPJHD-OAQYLSRUSA-N 1 3 339.483 2.670 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433913153 287011721 /nfs/dbraw/zinc/01/17/21/287011721.db2.gz BVPOVTOYUZHPTN-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433913153 287011722 /nfs/dbraw/zinc/01/17/22/287011722.db2.gz BVPOVTOYUZHPTN-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1OC(F)(F)F ZINC000268972344 287019199 /nfs/dbraw/zinc/01/91/99/287019199.db2.gz IJTGIWFWJWQUMU-GFCCVEGCSA-N 1 3 332.366 2.693 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000352129947 287267175 /nfs/dbraw/zinc/26/71/75/287267175.db2.gz DSIJBROSAQRTFM-ZACQAIPSSA-N 1 3 330.538 2.586 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339335564 287267585 /nfs/dbraw/zinc/26/75/85/287267585.db2.gz XOLHOZQLJFGVFC-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000339335564 287267588 /nfs/dbraw/zinc/26/75/88/287267588.db2.gz XOLHOZQLJFGVFC-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000269235371 287272565 /nfs/dbraw/zinc/27/25/65/287272565.db2.gz GIWBNHFJSGETNE-WSTZPKSXSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000269235371 287272566 /nfs/dbraw/zinc/27/25/66/287272566.db2.gz GIWBNHFJSGETNE-WSTZPKSXSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359219271 287274472 /nfs/dbraw/zinc/27/44/72/287274472.db2.gz DYOLIWSQHFFDAN-KURKYZTESA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359219271 287274473 /nfs/dbraw/zinc/27/44/73/287274473.db2.gz DYOLIWSQHFFDAN-KURKYZTESA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000353466673 287318372 /nfs/dbraw/zinc/31/83/72/287318372.db2.gz IMUOLUQUEGCKQN-UFYCRDLUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000353465094 287318391 /nfs/dbraw/zinc/31/83/91/287318391.db2.gz ZKAMQLONMDUVDN-SLFFLAALSA-N 1 3 343.515 2.574 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1Cl ZINC000165917222 226139862 /nfs/dbraw/zinc/13/98/62/226139862.db2.gz WYNSXHLODMYDKN-UHFFFAOYSA-N 1 3 339.867 2.609 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166243957 226153579 /nfs/dbraw/zinc/15/35/79/226153579.db2.gz MQISXQKTIHKLIP-XYJFISCASA-N 1 3 331.504 2.903 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000167540592 226193351 /nfs/dbraw/zinc/19/33/51/226193351.db2.gz YYPFKHWQWNHDGT-IEKSPZHNSA-N 1 3 341.499 2.529 20 0 EFADHO C[C@H](NCc1cccc(C(N)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122203870 222035824 /nfs/dbraw/zinc/03/58/24/222035824.db2.gz LBWINIOYYANKLH-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO Cc1cscc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000122272976 222051023 /nfs/dbraw/zinc/05/10/23/222051023.db2.gz PWDMGDJZDRUSFQ-UHFFFAOYSA-N 1 3 336.505 2.737 20 0 EFADHO CN(c1ccccc1C[NH2+]CCc1ccccn1)C1CCN(C)CC1 ZINC000123016029 222200622 /nfs/dbraw/zinc/20/06/22/222200622.db2.gz GXFHTZZXCSQVHC-UHFFFAOYSA-N 1 3 338.499 2.944 20 0 EFADHO C[NH+](C)CCCC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000123677501 222315410 /nfs/dbraw/zinc/31/54/10/222315410.db2.gz NZNJUUUWCIRFNN-UHFFFAOYSA-N 1 3 327.476 2.821 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CC1 ZINC000074102065 544468621 /nfs/dbraw/zinc/46/86/21/544468621.db2.gz SEQRQQYTFCLNFS-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[C@H](N[C@@H](C)C1CC[NH+](C)CC1)C(=O)Nc1nccs1 ZINC000090987536 544534437 /nfs/dbraw/zinc/53/44/37/544534437.db2.gz UYSGESQDVDHPAW-ZFWWWQNUSA-N 1 3 338.521 2.816 20 0 EFADHO C[C@H]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1n1ccnc1 ZINC000091959908 544538453 /nfs/dbraw/zinc/53/84/53/544538453.db2.gz ZSYHXUFBGKRCOR-PXNSSMCTSA-N 1 3 342.487 2.907 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092071566 544541464 /nfs/dbraw/zinc/54/14/64/544541464.db2.gz JTNOSQFYCVQBKM-KRWDZBQOSA-N 1 3 328.460 2.730 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092071566 544541468 /nfs/dbraw/zinc/54/14/68/544541468.db2.gz JTNOSQFYCVQBKM-KRWDZBQOSA-N 1 3 328.460 2.730 20 0 EFADHO CCC[NH+]1CCC(Nc2ccccc2CN2CCC(O)CC2)CC1 ZINC000131038973 544660168 /nfs/dbraw/zinc/66/01/68/544660168.db2.gz VZVVSZNSKOSMEN-UHFFFAOYSA-N 1 3 331.504 2.930 20 0 EFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000131175307 544661006 /nfs/dbraw/zinc/66/10/06/544661006.db2.gz WRUSRHRJJJIMSB-XLIONFOSSA-N 1 3 343.515 2.540 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000155090083 544754094 /nfs/dbraw/zinc/75/40/94/544754094.db2.gz GZJHEHZWPDQETF-IBGZPJMESA-N 1 3 344.547 2.661 20 0 EFADHO FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166774984 544851696 /nfs/dbraw/zinc/85/16/96/544851696.db2.gz SYLQIDHRFOLTJP-JKSUJKDBSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166774984 544851702 /nfs/dbraw/zinc/85/17/02/544851702.db2.gz SYLQIDHRFOLTJP-JKSUJKDBSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166774984 544851708 /nfs/dbraw/zinc/85/17/08/544851708.db2.gz SYLQIDHRFOLTJP-JKSUJKDBSA-N 1 3 333.442 2.867 20 0 EFADHO CC(C)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166396096 544851886 /nfs/dbraw/zinc/85/18/86/544851886.db2.gz HLMJLQPAEASZIP-DLBZAZTESA-N 1 3 330.472 2.952 20 0 EFADHO CC(C)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000166396096 544851890 /nfs/dbraw/zinc/85/18/90/544851890.db2.gz HLMJLQPAEASZIP-DLBZAZTESA-N 1 3 330.472 2.952 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)oc1C ZINC000166581764 544852035 /nfs/dbraw/zinc/85/20/35/544852035.db2.gz VHWGLQJBOKBKIT-RTBURBONSA-N 1 3 346.519 2.720 20 0 EFADHO CN(c1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC[NH+](C)CC1 ZINC000177583484 544894814 /nfs/dbraw/zinc/89/48/14/544894814.db2.gz QQCRWCGHKSNTBA-GGPKGHCWSA-N 1 3 329.488 2.627 20 0 EFADHO CCc1nn(C)cc1CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000180547888 544923482 /nfs/dbraw/zinc/92/34/82/544923482.db2.gz XGMLXPUDSISUTQ-UHFFFAOYSA-N 1 3 336.524 2.553 20 0 EFADHO CCc1nn(C)cc1CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000180547888 544923486 /nfs/dbraw/zinc/92/34/86/544923486.db2.gz XGMLXPUDSISUTQ-UHFFFAOYSA-N 1 3 336.524 2.553 20 0 EFADHO CCCCNC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184746165 265025103 /nfs/dbraw/zinc/02/51/03/265025103.db2.gz HFAVQMQDNGSOFS-IRXDYDNUSA-N 1 3 331.504 2.649 20 0 EFADHO CN(c1ccccc1C[NH2+]CC1(CO)CCCC1)C1CCN(C)CC1 ZINC000185805401 265048566 /nfs/dbraw/zinc/04/85/66/265048566.db2.gz GFQLOXUVFWQIEU-UHFFFAOYSA-N 1 3 345.531 2.859 20 0 EFADHO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000186599774 265072455 /nfs/dbraw/zinc/07/24/55/265072455.db2.gz NEXSBDCFLAXAQQ-GJZGRUSLSA-N 1 3 336.549 2.699 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000189642741 265195779 /nfs/dbraw/zinc/19/57/79/265195779.db2.gz QJBNTMLKLFOVRG-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[C@H](C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189956593 265204924 /nfs/dbraw/zinc/20/49/24/265204924.db2.gz CTBUCISXHLBTOB-BZSNNMDCSA-N 1 3 345.531 2.893 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000190144315 265211396 /nfs/dbraw/zinc/21/13/96/265211396.db2.gz KKNSKSHBCBIZGY-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191174524 265253745 /nfs/dbraw/zinc/25/37/45/265253745.db2.gz IFMRRNMHHBXGKQ-JKSUJKDBSA-N 1 3 335.540 2.623 20 0 EFADHO Cc1c([C@H](C)NCCN2CCC([NH+](C)C)CC2)cnn1C(C)(C)C ZINC000191328092 265259552 /nfs/dbraw/zinc/25/95/52/265259552.db2.gz SBGPBIUYDSKRPG-HNNXBMFYSA-N 1 3 335.540 2.623 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000192845546 265309152 /nfs/dbraw/zinc/30/91/52/265309152.db2.gz FMQPNJABELBGEH-LJQANCHMSA-N 1 3 331.504 2.775 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H](CN)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236686422 265439131 /nfs/dbraw/zinc/43/91/31/265439131.db2.gz RLQCNRXNNIBASB-RTBURBONSA-N 1 3 331.504 2.602 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000271558877 266007957 /nfs/dbraw/zinc/00/79/57/266007957.db2.gz WLHRIJFHKRACSS-BMGDILEWSA-N 1 3 346.471 2.834 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000271564319 266008872 /nfs/dbraw/zinc/00/88/72/266008872.db2.gz XMFWLKCHHIHYBA-IPMKNSEASA-N 1 3 330.472 2.868 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)ncn3C)C[C@H](C)O1 ZINC000271641362 266028835 /nfs/dbraw/zinc/02/88/35/266028835.db2.gz HIEYGKFJIGICES-HOTGVXAUSA-N 1 3 330.476 2.552 20 0 EFADHO C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000271665949 266036529 /nfs/dbraw/zinc/03/65/29/266036529.db2.gz HSDYFWKVENARDQ-QFBILLFUSA-N 1 3 348.487 2.963 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000271750963 266053583 /nfs/dbraw/zinc/05/35/83/266053583.db2.gz XNGPAFJHPKDVNX-RHSMWYFYSA-N 1 3 330.419 2.599 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000271750965 266054282 /nfs/dbraw/zinc/05/42/82/266054282.db2.gz XNGPAFJHPKDVNX-YOEHRIQHSA-N 1 3 330.419 2.599 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000271844227 266076180 /nfs/dbraw/zinc/07/61/80/266076180.db2.gz LENCTNSMWDQIOC-TZIWHRDSSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000271844225 266076906 /nfs/dbraw/zinc/07/69/06/266076906.db2.gz LENCTNSMWDQIOC-FPOVZHCZSA-N 1 3 345.531 2.742 20 0 EFADHO COCCOc1ccc([C@H](C)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000271862189 266082882 /nfs/dbraw/zinc/08/28/82/266082882.db2.gz KQYGLTOSOFKJQY-HNNXBMFYSA-N 1 3 334.460 2.633 20 0 EFADHO COCCOc1ccc([C@H](C)NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271862189 266082883 /nfs/dbraw/zinc/08/28/83/266082883.db2.gz KQYGLTOSOFKJQY-HNNXBMFYSA-N 1 3 334.460 2.633 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271862189 266082886 /nfs/dbraw/zinc/08/28/86/266082886.db2.gz KQYGLTOSOFKJQY-HNNXBMFYSA-N 1 3 334.460 2.633 20 0 EFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000271871468 266084306 /nfs/dbraw/zinc/08/43/06/266084306.db2.gz MUONVTMRIDPQCB-CQSZACIVSA-N 1 3 328.460 2.883 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCC2=CCN(C)CC2)cc1 ZINC000272046394 266135204 /nfs/dbraw/zinc/13/52/04/266135204.db2.gz FJVOUHRUVXJUJJ-UHFFFAOYSA-N 1 3 344.503 2.590 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N(C)C ZINC000272151982 266170264 /nfs/dbraw/zinc/17/02/64/266170264.db2.gz XPAFTTHAJBXXPK-IBGZPJMESA-N 1 3 346.519 2.742 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1)N(C)C ZINC000272151986 266170267 /nfs/dbraw/zinc/17/02/67/266170267.db2.gz XPAFTTHAJBXXPK-LJQANCHMSA-N 1 3 346.519 2.742 20 0 EFADHO C[C@@H]([NH2+]Cc1cnc2cnccn12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272251748 266205384 /nfs/dbraw/zinc/20/53/84/266205384.db2.gz YMWBOSGCNWFPDE-SJLPKXTDSA-N 1 3 335.455 2.730 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@H](C)O1 ZINC000272327737 266231021 /nfs/dbraw/zinc/23/10/21/266231021.db2.gz LVHRRSYQXHNONK-CALCHBBNSA-N 1 3 332.488 2.500 20 0 EFADHO CC(C)(C)OC1CC([NH2+]CCCN2CCN(c3ccncc3)CC2)C1 ZINC000272421100 266259633 /nfs/dbraw/zinc/25/96/33/266259633.db2.gz LYFAHSUGANUFHB-UHFFFAOYSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@H](NCC1(C)CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000272523793 266293224 /nfs/dbraw/zinc/29/32/24/266293224.db2.gz IGAOAJCDRJFSHX-ZDUSSCGKSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000272534448 266297571 /nfs/dbraw/zinc/29/75/71/266297571.db2.gz JOVSIQFYNJKAPZ-TWMKSMIVSA-N 1 3 342.405 2.800 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272550751 266304690 /nfs/dbraw/zinc/30/46/90/266304690.db2.gz SPUZPDMNZRZJDJ-PKOBYXMFSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272569055 266311246 /nfs/dbraw/zinc/31/12/46/266311246.db2.gz HRHFVCRZDSIZOP-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272657512 266340862 /nfs/dbraw/zinc/34/08/62/266340862.db2.gz MDFIHNWLOUDCAQ-IHPCNDPISA-N 1 3 327.516 2.971 20 0 EFADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272715069 266360145 /nfs/dbraw/zinc/36/01/45/266360145.db2.gz CLCMRYUAERXQLG-QFBILLFUSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1ccncc1[C@H](C)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272715069 266360148 /nfs/dbraw/zinc/36/01/48/266360148.db2.gz CLCMRYUAERXQLG-QFBILLFUSA-N 1 3 325.456 2.807 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000272802365 266386727 /nfs/dbraw/zinc/38/67/27/266386727.db2.gz BOKZCDOIVSGJNY-OAHLLOKOSA-N 1 3 349.475 2.510 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)NCCC[N@@H+](C)C(C)C)c1 ZINC000272802365 266386731 /nfs/dbraw/zinc/38/67/31/266386731.db2.gz BOKZCDOIVSGJNY-OAHLLOKOSA-N 1 3 349.475 2.510 20 0 EFADHO COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN(C)C(C)C)c1 ZINC000272802365 266386734 /nfs/dbraw/zinc/38/67/34/266386734.db2.gz BOKZCDOIVSGJNY-OAHLLOKOSA-N 1 3 349.475 2.510 20 0 EFADHO C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc([O-])cc(F)c2)cc1 ZINC000274404976 266644387 /nfs/dbraw/zinc/64/43/87/266644387.db2.gz GPWBMKOOQPWABW-UHFFFAOYSA-N 1 3 332.419 2.804 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275022507 266741316 /nfs/dbraw/zinc/74/13/16/266741316.db2.gz UACDFCFNUGTJIO-CQSZACIVSA-N 1 3 327.875 2.842 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCC(C)CC1 ZINC000107983263 273008512 /nfs/dbraw/zinc/00/85/12/273008512.db2.gz NGZWXRULEHUYFZ-UHFFFAOYSA-N 1 3 340.556 2.728 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000108541424 273010180 /nfs/dbraw/zinc/01/01/80/273010180.db2.gz RCOCARDHIFSJCQ-MJGOQNOKSA-N 1 3 346.519 2.711 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108541424 273010181 /nfs/dbraw/zinc/01/01/81/273010181.db2.gz RCOCARDHIFSJCQ-MJGOQNOKSA-N 1 3 346.519 2.711 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCN(C)CC1)CCCS2 ZINC000275937526 266898464 /nfs/dbraw/zinc/89/84/64/266898464.db2.gz YNCNNTMPDSWZGO-MRXNPFEDSA-N 1 3 336.501 2.669 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276578765 267017258 /nfs/dbraw/zinc/01/72/58/267017258.db2.gz HTMVTFZHVNUSPZ-UHFFFAOYSA-N 1 3 337.467 2.997 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cn1 ZINC000277810395 267270379 /nfs/dbraw/zinc/27/03/79/267270379.db2.gz UTQQJYZNVLMHLA-UHFFFAOYSA-N 1 3 344.425 2.558 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)N(C)Cc1ccccc1 ZINC000176187877 273032043 /nfs/dbraw/zinc/03/20/43/273032043.db2.gz XUVYQPRSNRLUHV-NEWSRXKRSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)N(C)Cc1ccccc1 ZINC000176187846 273032058 /nfs/dbraw/zinc/03/20/58/273032058.db2.gz XUVYQPRSNRLUHV-QRQLOZEOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277207827 273151251 /nfs/dbraw/zinc/15/12/51/273151251.db2.gz WFMJUASYAZSBMA-LFGUQSLTSA-N 1 3 347.572 2.922 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277207827 273151253 /nfs/dbraw/zinc/15/12/53/273151253.db2.gz WFMJUASYAZSBMA-LFGUQSLTSA-N 1 3 347.572 2.922 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000277318576 273152368 /nfs/dbraw/zinc/15/23/68/273152368.db2.gz UYHNGWNEFWYAFO-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000277318576 273152370 /nfs/dbraw/zinc/15/23/70/273152370.db2.gz UYHNGWNEFWYAFO-QUCCMNQESA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc(OCCN(C)C)c1 ZINC000279007565 273165949 /nfs/dbraw/zinc/16/59/49/273165949.db2.gz SKHHJYRZQFKHDU-IRXDYDNUSA-N 1 3 342.487 2.737 20 0 EFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C12CCCN1CCC2 ZINC000279158392 273183156 /nfs/dbraw/zinc/18/31/56/273183156.db2.gz GACUBNGXAIHBNH-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000279267536 273195434 /nfs/dbraw/zinc/19/54/34/273195434.db2.gz WFHYSLPIONDBOY-LPHOPBHVSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000279267536 273195435 /nfs/dbraw/zinc/19/54/35/273195435.db2.gz WFHYSLPIONDBOY-LPHOPBHVSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000279513737 273223251 /nfs/dbraw/zinc/22/32/51/273223251.db2.gz UOMFAYNQAQPQIX-UHFFFAOYSA-N 1 3 340.471 2.953 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000279639891 273237196 /nfs/dbraw/zinc/23/71/96/273237196.db2.gz AOXJJKWNKOKFHP-MJGOQNOKSA-N 1 3 332.488 2.997 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCCN(C)C)cc2)[C@H]1C ZINC000279994795 273278862 /nfs/dbraw/zinc/27/88/62/273278862.db2.gz RIOKASBCGFKTJT-VDZJLULYSA-N 1 3 348.487 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@H]1C ZINC000280359125 273319490 /nfs/dbraw/zinc/31/94/90/273319490.db2.gz RWZLWXATLWUDKA-VDZJLULYSA-N 1 3 345.487 2.865 20 0 EFADHO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000282313956 273544688 /nfs/dbraw/zinc/54/46/88/273544688.db2.gz UALUBFBDBCPMSE-CTNGQTDRSA-N 1 3 346.515 2.938 20 0 EFADHO CC(C)[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414204906 273555372 /nfs/dbraw/zinc/55/53/72/273555372.db2.gz WUXPRWLTBJSYNP-FQEVSTJZSA-N 1 3 345.531 2.770 20 0 EFADHO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268952526 273565505 /nfs/dbraw/zinc/56/55/05/273565505.db2.gz CPJYQMLMWSVBLV-MRXNPFEDSA-N 1 3 347.503 2.573 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284142881 273802517 /nfs/dbraw/zinc/80/25/17/273802517.db2.gz DHBHAIAIYDYGEH-OCCSQVGLSA-N 1 3 329.872 2.751 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccccc2C)C2CC2)CC1 ZINC000284254736 273815839 /nfs/dbraw/zinc/81/58/39/273815839.db2.gz IRWREJKYQRHKEK-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285587495 274031892 /nfs/dbraw/zinc/03/18/92/274031892.db2.gz OQYYQEYBSDORNI-JOCHJYFZSA-N 1 3 349.478 2.884 20 0 EFADHO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)cc1 ZINC000285587495 274031893 /nfs/dbraw/zinc/03/18/93/274031893.db2.gz OQYYQEYBSDORNI-JOCHJYFZSA-N 1 3 349.478 2.884 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285777991 274072627 /nfs/dbraw/zinc/07/26/27/274072627.db2.gz TYYOLDSGTWMDRV-HNNXBMFYSA-N 1 3 331.460 2.790 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(N)=O ZINC000285895709 274096134 /nfs/dbraw/zinc/09/61/34/274096134.db2.gz BDMLKFUYFCQMFA-CEXWTWQISA-N 1 3 343.515 2.778 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000286060990 274125609 /nfs/dbraw/zinc/12/56/09/274125609.db2.gz LUWCYRCJHHAKNB-ZNXRZULTSA-N 1 3 347.478 2.637 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000286096286 274132731 /nfs/dbraw/zinc/13/27/31/274132731.db2.gz NAOULLXATZIZDW-IVAOSVALSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286096286 274132734 /nfs/dbraw/zinc/13/27/34/274132734.db2.gz NAOULLXATZIZDW-IVAOSVALSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286096286 274132735 /nfs/dbraw/zinc/13/27/35/274132735.db2.gz NAOULLXATZIZDW-IVAOSVALSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000286096294 274132779 /nfs/dbraw/zinc/13/27/79/274132779.db2.gz NAOULLXATZIZDW-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286096294 274132780 /nfs/dbraw/zinc/13/27/80/274132780.db2.gz NAOULLXATZIZDW-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286096294 274132783 /nfs/dbraw/zinc/13/27/83/274132783.db2.gz NAOULLXATZIZDW-UWHLTILDSA-N 1 3 346.515 2.664 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000286185586 274149753 /nfs/dbraw/zinc/14/97/53/274149753.db2.gz ROHJKDWMSYRUED-PBHICJAKSA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1)[NH+](CC)CC ZINC000286268371 274165860 /nfs/dbraw/zinc/16/58/60/274165860.db2.gz VWAQZGBNEPKKIW-ZWKOTPCHSA-N 1 3 335.492 2.535 20 0 EFADHO CCCCN1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286365595 274186385 /nfs/dbraw/zinc/18/63/85/274186385.db2.gz ZJFPFWBPLRFKTH-CQSZACIVSA-N 1 3 331.460 2.933 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353411966 274277584 /nfs/dbraw/zinc/27/75/84/274277584.db2.gz IIJYMSAQSIFIPL-PKOBYXMFSA-N 1 3 344.503 2.559 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287006343 274320755 /nfs/dbraw/zinc/32/07/55/274320755.db2.gz LTZJOBNNXQHFPU-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287006343 274320758 /nfs/dbraw/zinc/32/07/58/274320758.db2.gz LTZJOBNNXQHFPU-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000287167396 274358627 /nfs/dbraw/zinc/35/86/27/274358627.db2.gz XBYIKQWQAQNADS-YJBOKZPZSA-N 1 3 330.476 2.839 20 0 EFADHO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000287352501 274401479 /nfs/dbraw/zinc/40/14/79/274401479.db2.gz JGXXWQMGPZQQIH-VQIMIIECSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287872470 274498184 /nfs/dbraw/zinc/49/81/84/274498184.db2.gz XZMJARWYPBAZAO-HOCLYGCPSA-N 1 3 346.393 2.827 20 0 EFADHO C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H](c1ccccc1)N(C)C ZINC000288342183 274573775 /nfs/dbraw/zinc/57/37/75/274573775.db2.gz YVMRIGLAYNPOOV-AEFFLSMTSA-N 1 3 346.519 2.804 20 0 EFADHO C[C@H](C[NH+]1CCC(CN2CCN(C)CC2)CC1)c1ccc(F)cc1 ZINC000289419532 274757448 /nfs/dbraw/zinc/75/74/48/274757448.db2.gz IVXYCKFYBGNJAG-QGZVFWFLSA-N 1 3 333.495 2.889 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000289465165 274766019 /nfs/dbraw/zinc/76/60/19/274766019.db2.gz AHFMTRRUVLUYIE-CEXWTWQISA-N 1 3 329.488 2.636 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H](C)[NH3+] ZINC000423425103 276012824 /nfs/dbraw/zinc/01/28/24/276012824.db2.gz NOKGOQFJVIRDHV-YQFWSFKMSA-N 1 3 337.533 2.867 20 0 EFADHO CCC[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662423 276038155 /nfs/dbraw/zinc/03/81/55/276038155.db2.gz GHKXJPVBYIXEGW-VAMGGRTRSA-N 1 3 343.515 2.697 20 0 EFADHO CCC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N(C)C ZINC000359662423 276038158 /nfs/dbraw/zinc/03/81/58/276038158.db2.gz GHKXJPVBYIXEGW-VAMGGRTRSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000417018400 276056517 /nfs/dbraw/zinc/05/65/17/276056517.db2.gz HTSZQHSEVQCUSF-LPHOPBHVSA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000418366187 276057873 /nfs/dbraw/zinc/05/78/73/276057873.db2.gz YKBQORYNLDTVMN-QGTPRVQTSA-N 1 3 332.492 2.721 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000417018402 276057991 /nfs/dbraw/zinc/05/79/91/276057991.db2.gz HTSZQHSEVQCUSF-QFBILLFUSA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000418352100 276058010 /nfs/dbraw/zinc/05/80/10/276058010.db2.gz MDVGXBLUXUGMPZ-MAUKXSAKSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000417018404 276058252 /nfs/dbraw/zinc/05/82/52/276058252.db2.gz HTSZQHSEVQCUSF-VQIMIIECSA-N 1 3 346.519 2.983 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCC=CO3)cc2)CC1 ZINC000194216498 276196831 /nfs/dbraw/zinc/19/68/31/276196831.db2.gz ISAOMHDERWZXPJ-FQEVSTJZSA-N 1 3 329.488 2.606 20 0 EFADHO CCC[NH2+]CCNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418482142 276265991 /nfs/dbraw/zinc/26/59/91/276265991.db2.gz VBFSIXDWSAIZPB-LJQANCHMSA-N 1 3 346.519 2.540 20 0 EFADHO CCC[C@@]1(CO)CCCN1CCC[N@@H+]1CCC[C@]1(CO)CCC ZINC000444767612 276280890 /nfs/dbraw/zinc/28/08/90/276280890.db2.gz QTTOGGWFFRBVFF-OALUTQOASA-N 1 3 326.525 2.631 20 0 EFADHO CCC[C@@]1(CO)CCCN1CCC[N@H+]1CCC[C@]1(CO)CCC ZINC000444767612 276280891 /nfs/dbraw/zinc/28/08/91/276280891.db2.gz QTTOGGWFFRBVFF-OALUTQOASA-N 1 3 326.525 2.631 20 0 EFADHO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000449332237 276300572 /nfs/dbraw/zinc/30/05/72/276300572.db2.gz CNDOWMHLQUSADF-PSBWJHGTSA-N 1 3 329.488 2.526 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338232110 276325284 /nfs/dbraw/zinc/32/52/84/276325284.db2.gz GBTSIFBQAQBBAY-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000236879646 276340165 /nfs/dbraw/zinc/34/01/65/276340165.db2.gz OMKKGYNSDYMISO-VQTJNVASSA-N 1 3 339.483 2.756 20 0 EFADHO CC[N@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000102573179 276345994 /nfs/dbraw/zinc/34/59/94/276345994.db2.gz HIZZVBHLAKOQRK-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000102573179 276345995 /nfs/dbraw/zinc/34/59/95/276345995.db2.gz HIZZVBHLAKOQRK-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000336681634 276354471 /nfs/dbraw/zinc/35/44/71/276354471.db2.gz DWIQARBFIVXKCW-DABHTEOTSA-N 1 3 332.488 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000336681634 276354472 /nfs/dbraw/zinc/35/44/72/276354472.db2.gz DWIQARBFIVXKCW-DABHTEOTSA-N 1 3 332.488 2.679 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1F ZINC000343320093 276370787 /nfs/dbraw/zinc/37/07/87/276370787.db2.gz PJRQZXLDAGVMPV-IAGOWNOFSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1F ZINC000343320093 276370788 /nfs/dbraw/zinc/37/07/88/276370788.db2.gz PJRQZXLDAGVMPV-IAGOWNOFSA-N 1 3 349.494 2.804 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417219500 276422982 /nfs/dbraw/zinc/42/29/82/276422982.db2.gz WDHGZVJXTZLKED-IEBWSBKVSA-N 1 3 346.519 2.757 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000343998323 276763473 /nfs/dbraw/zinc/76/34/73/276763473.db2.gz VOGKNAXYEGJUHL-UHFFFAOYSA-N 1 3 329.488 2.936 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000451455495 276775886 /nfs/dbraw/zinc/77/58/86/276775886.db2.gz JWWKEPRFQGKPFI-ZWKOTPCHSA-N 1 3 329.488 2.718 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000237046800 276810115 /nfs/dbraw/zinc/81/01/15/276810115.db2.gz PRIUQDHJQUWXOJ-QGZVFWFLSA-N 1 3 337.423 2.924 20 0 EFADHO CN1CCC(N2CCC([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000348270365 277027114 /nfs/dbraw/zinc/02/71/14/277027114.db2.gz XTVQWGBTCQJCMX-GHTZIAJQSA-N 1 3 327.516 2.938 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@H](N3CCCCC3)C2)CC1 ZINC000341105001 277150228 /nfs/dbraw/zinc/15/02/28/277150228.db2.gz OQYGDFZMIXTUDL-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO COC1CCN(C2(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CCCC2)CC1 ZINC000361229428 277194432 /nfs/dbraw/zinc/19/44/32/277194432.db2.gz AHWHTUZZWDQLBC-ZIFCJYIRSA-N 1 3 337.552 2.728 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CCCN1 ZINC000423420970 277269595 /nfs/dbraw/zinc/26/95/95/277269595.db2.gz XJILPWIQGMNYES-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000448437657 277391609 /nfs/dbraw/zinc/39/16/09/277391609.db2.gz QCRVLWUKUBBFJA-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)N2CCCCC2)C1 ZINC000448437657 277391610 /nfs/dbraw/zinc/39/16/10/277391610.db2.gz QCRVLWUKUBBFJA-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000448437658 277391781 /nfs/dbraw/zinc/39/17/81/277391781.db2.gz QCRVLWUKUBBFJA-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC000448437658 277391782 /nfs/dbraw/zinc/39/17/82/277391782.db2.gz QCRVLWUKUBBFJA-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO COCC1(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC[NH2+]CC1 ZINC000423397989 277484285 /nfs/dbraw/zinc/48/42/85/277484285.db2.gz CNRZLDXXYFTLBY-CYBMUJFWSA-N 1 3 328.378 2.697 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@](C)(O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000075935753 277886824 /nfs/dbraw/zinc/88/68/24/277886824.db2.gz LMVANNWIGARSIW-OPYAIIAOSA-N 1 3 346.515 2.715 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000418342621 278049544 /nfs/dbraw/zinc/04/95/44/278049544.db2.gz FGWRROOQVCTGTF-MSOLQXFVSA-N 1 3 332.492 2.627 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237413479 278139961 /nfs/dbraw/zinc/13/99/61/278139961.db2.gz BEVHCXSWCXLFLM-YTQUADARSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000343955975 278173416 /nfs/dbraw/zinc/17/34/16/278173416.db2.gz FHQVAABDRTXRIW-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000343955975 278173418 /nfs/dbraw/zinc/17/34/18/278173418.db2.gz FHQVAABDRTXRIW-LMMKCTJWSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345029967 278179496 /nfs/dbraw/zinc/17/94/96/278179496.db2.gz VBKYLRUGZQTCKC-ZJPYXAASSA-N 1 3 331.504 2.884 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345029967 278179497 /nfs/dbraw/zinc/17/94/97/278179497.db2.gz VBKYLRUGZQTCKC-ZJPYXAASSA-N 1 3 331.504 2.884 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000339433327 278189738 /nfs/dbraw/zinc/18/97/38/278189738.db2.gz ORUGKEAMEPZHRF-IAGOWNOFSA-N 1 3 338.540 2.718 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@H+](C)C1CC1 ZINC000105068722 278202740 /nfs/dbraw/zinc/20/27/40/278202740.db2.gz YQULIXDPPFFLKI-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N1CCCC1)[N@@H+](C)C1CC1 ZINC000105068722 278202742 /nfs/dbraw/zinc/20/27/42/278202742.db2.gz YQULIXDPPFFLKI-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339012 278212381 /nfs/dbraw/zinc/21/23/81/278212381.db2.gz LKYVKMLJEITACM-ATNRFADISA-N 1 3 335.536 2.637 20 0 EFADHO CC1(C)CCCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423076706 278215759 /nfs/dbraw/zinc/21/57/59/278215759.db2.gz RSZCBAURNRMAGU-WIYYLYMNSA-N 1 3 343.515 2.954 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1csc(-c2ccccc2)n1 ZINC000422782684 278228615 /nfs/dbraw/zinc/22/86/15/278228615.db2.gz KAAXLVBQFVNEOG-JQFCIGGWSA-N 1 3 331.485 2.695 20 0 EFADHO C[C@@H](CCNC(=O)N1CCN(C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351896605 278232743 /nfs/dbraw/zinc/23/27/43/278232743.db2.gz NYHSQBBMLAAVTK-ROUUACIJSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N1CCN(C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351896605 278232744 /nfs/dbraw/zinc/23/27/44/278232744.db2.gz NYHSQBBMLAAVTK-ROUUACIJSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(N)CCCC2)cc1 ZINC000237523892 278333594 /nfs/dbraw/zinc/33/35/94/278333594.db2.gz FFYLBRUTHKIYPH-INIZCTEOSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2(N)CCCC2)cc1 ZINC000237523892 278333596 /nfs/dbraw/zinc/33/35/96/278333596.db2.gz FFYLBRUTHKIYPH-INIZCTEOSA-N 1 3 329.488 2.949 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405243 278344645 /nfs/dbraw/zinc/34/46/45/278344645.db2.gz GOFUWTSQRKUAAJ-DLBZAZTESA-N 1 3 348.487 2.999 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405243 278344646 /nfs/dbraw/zinc/34/46/46/278344646.db2.gz GOFUWTSQRKUAAJ-DLBZAZTESA-N 1 3 348.487 2.999 20 0 EFADHO C[C@@H](N[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc2c(s1)CCCC2 ZINC000371446270 278384812 /nfs/dbraw/zinc/38/48/12/278384812.db2.gz CHEHGTUKQFEXCM-CABCVRRESA-N 1 3 348.560 2.841 20 0 EFADHO CC1CCC(N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000358875486 278522229 /nfs/dbraw/zinc/52/22/29/278522229.db2.gz BCHJBLPDZXYDCY-XUJQIHCRSA-N 1 3 347.478 2.591 20 0 EFADHO CC1CCN([C@H](CNC(=O)C2([NH3+])CCCC2)c2cccs2)CC1 ZINC000236659135 278550853 /nfs/dbraw/zinc/55/08/53/278550853.db2.gz YQGFPLFYMABRPP-OAHLLOKOSA-N 1 3 335.517 2.909 20 0 EFADHO CC(C)CC(CC(C)C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414188842 278733489 /nfs/dbraw/zinc/73/34/89/278733489.db2.gz JIMJUARMEFHXLK-UHFFFAOYSA-N 1 3 339.568 2.833 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347650380 279133588 /nfs/dbraw/zinc/13/35/88/279133588.db2.gz HRRGFGPVBXRDCE-MJGOQNOKSA-N 1 3 329.488 2.920 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000261652323 279137502 /nfs/dbraw/zinc/13/75/02/279137502.db2.gz JTMKOGOHHNHCJG-GOSISDBHSA-N 1 3 331.504 2.923 20 0 EFADHO CC(C)C[C@H](C[N@@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488410 279143080 /nfs/dbraw/zinc/14/30/80/279143080.db2.gz IUNLBMYWNGALHA-VQIMIIECSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[C@H](C[N@H+]1CC[C@@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488410 279143082 /nfs/dbraw/zinc/14/30/82/279143082.db2.gz IUNLBMYWNGALHA-VQIMIIECSA-N 1 3 339.524 2.953 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181330454 279167425 /nfs/dbraw/zinc/16/74/25/279167425.db2.gz PCZZXDOVERNUOO-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1)C1CC1 ZINC000156467815 279234852 /nfs/dbraw/zinc/23/48/52/279234852.db2.gz OTEZKDPYCZPWJO-QAPCUYQASA-N 1 3 329.488 2.870 20 0 EFADHO C[C@H](CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000370765326 279245856 /nfs/dbraw/zinc/24/58/56/279245856.db2.gz CISZSFYAEINIJX-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246777762 279270509 /nfs/dbraw/zinc/27/05/09/279270509.db2.gz ZCQAYVUJFCPKIF-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246777762 279270512 /nfs/dbraw/zinc/27/05/12/279270512.db2.gz ZCQAYVUJFCPKIF-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000171431084 279277684 /nfs/dbraw/zinc/27/76/84/279277684.db2.gz OAKSRERXGRBFKJ-IBGZPJMESA-N 1 3 329.488 2.773 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000429372375 279302700 /nfs/dbraw/zinc/30/27/00/279302700.db2.gz MZSGWIGSSMEOAW-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000429372375 279302701 /nfs/dbraw/zinc/30/27/01/279302701.db2.gz MZSGWIGSSMEOAW-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Cl ZINC000351806074 279329383 /nfs/dbraw/zinc/32/93/83/279329383.db2.gz DFZRVRRFFRIZBO-ZDUSSCGKSA-N 1 3 343.924 2.890 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441013513 279357162 /nfs/dbraw/zinc/35/71/62/279357162.db2.gz UTPDMVNZHROHAJ-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441013513 279357163 /nfs/dbraw/zinc/35/71/63/279357163.db2.gz UTPDMVNZHROHAJ-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1nc2c(s1)CCCC2 ZINC000371446273 279512664 /nfs/dbraw/zinc/51/26/64/279512664.db2.gz CHEHGTUKQFEXCM-LSDHHAIUSA-N 1 3 348.560 2.841 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000178039145 288159355 /nfs/dbraw/zinc/15/93/55/288159355.db2.gz WZRSXSJUEPAQCU-CALCHBBNSA-N 1 3 325.541 2.728 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C[C@H](C)O1 ZINC000376077968 288160793 /nfs/dbraw/zinc/16/07/93/288160793.db2.gz BYAILNVTQDUSFY-ZSYWTGECSA-N 1 3 348.535 2.925 20 0 EFADHO C[C@H]1COCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000192483942 279917933 /nfs/dbraw/zinc/91/79/33/279917933.db2.gz IKCWBJIGQCIQRU-ICSRJNTNSA-N 1 3 331.504 2.603 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359717383 280077617 /nfs/dbraw/zinc/07/76/17/280077617.db2.gz UYIUYUCWOBGWNS-OALUTQOASA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359717383 280077618 /nfs/dbraw/zinc/07/76/18/280077618.db2.gz UYIUYUCWOBGWNS-OALUTQOASA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCCCC1 ZINC000171420421 280175932 /nfs/dbraw/zinc/17/59/32/280175932.db2.gz MPXBLXOZMFTJBI-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1F ZINC000414181748 280185742 /nfs/dbraw/zinc/18/57/42/280185742.db2.gz CIQHHFGSALRZOO-LJQANCHMSA-N 1 3 349.494 2.663 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000105075386 280246494 /nfs/dbraw/zinc/24/64/94/280246494.db2.gz HEEPBVAFZQBVAX-RBUKOAKNSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@H]1C)[NH+]1CCCCCC1 ZINC000345478300 280248224 /nfs/dbraw/zinc/24/82/24/280248224.db2.gz JQOYJYMPQSYKHA-BZSNNMDCSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000346291860 280252542 /nfs/dbraw/zinc/25/25/42/280252542.db2.gz QYNSSQRIMRNSNS-IHPCNDPISA-N 1 3 343.515 2.703 20 0 EFADHO CC[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000346908365 280660888 /nfs/dbraw/zinc/66/08/88/280660888.db2.gz BMTFUAHFFGZLOU-LJQANCHMSA-N 1 3 346.519 2.877 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000165723430 281835122 /nfs/dbraw/zinc/83/51/22/281835122.db2.gz FUCMKVOTEWVXNQ-OALUTQOASA-N 1 3 329.488 2.575 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000165730469 281836723 /nfs/dbraw/zinc/83/67/23/281836723.db2.gz JQZIIZOYQBLKKZ-RBUKOAKNSA-N 1 3 329.488 2.718 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000165723290 281836836 /nfs/dbraw/zinc/83/68/36/281836836.db2.gz FUCMKVOTEWVXNQ-RTBURBONSA-N 1 3 329.488 2.575 20 0 EFADHO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000177853241 533691991 /nfs/dbraw/zinc/69/19/91/533691991.db2.gz UAFMXQSOZKQBIL-HNNXBMFYSA-N 1 3 330.476 2.942 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000422247211 289064393 /nfs/dbraw/zinc/06/43/93/289064393.db2.gz VXTUOVQDEQRYPU-ABHNRTSZSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](C(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000262410553 289257879 /nfs/dbraw/zinc/25/78/79/289257879.db2.gz SLIVPYSYEUYIGT-QFBILLFUSA-N 1 3 325.456 2.700 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCOCc1ccccc1 ZINC000363778011 289322566 /nfs/dbraw/zinc/32/25/66/289322566.db2.gz PWFYKAKRGIBQPK-VAMGGRTRSA-N 1 3 332.488 2.777 20 0 EFADHO C[C@H]1C[C@H](C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076428125 292754571 /nfs/dbraw/zinc/75/45/71/292754571.db2.gz PISXRPPUICRVJM-ROUUACIJSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1OCCN(C)C ZINC000422819266 289773377 /nfs/dbraw/zinc/77/33/77/289773377.db2.gz HXLOZQFKPFWMFA-FXAWDEMLSA-N 1 3 341.499 2.675 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000081256223 292813475 /nfs/dbraw/zinc/81/34/75/292813475.db2.gz OSKMPKLWRCUNKL-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCCCN1C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121801036 292953036 /nfs/dbraw/zinc/95/30/36/292953036.db2.gz JJCHZHDDDYEPTK-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000127374474 293067198 /nfs/dbraw/zinc/06/71/98/293067198.db2.gz NOTUSVDQOYHPIP-FQEVSTJZSA-N 1 3 344.547 2.745 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCC(C)CC1 ZINC000129016415 293121437 /nfs/dbraw/zinc/12/14/37/293121437.db2.gz XXCLBAVVHRDLEQ-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130117211 293154934 /nfs/dbraw/zinc/15/49/34/293154934.db2.gz YLLOLDHXBKMHLU-IAGOWNOFSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130439756 293165954 /nfs/dbraw/zinc/16/59/54/293165954.db2.gz GOUFPOGQXSCTQG-QFBILLFUSA-N 1 3 343.515 2.575 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1Cl ZINC000131155374 293188446 /nfs/dbraw/zinc/18/84/46/293188446.db2.gz XKPASAGGGWNTHF-UHFFFAOYSA-N 1 3 347.290 2.951 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177383 293219740 /nfs/dbraw/zinc/21/97/40/293219740.db2.gz XTKXIRCLSUSMSK-ZIFCJYIRSA-N 1 3 326.488 2.792 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177383 293219745 /nfs/dbraw/zinc/21/97/45/293219745.db2.gz XTKXIRCLSUSMSK-ZIFCJYIRSA-N 1 3 326.488 2.792 20 0 EFADHO C[C@@H](NCc1ccccc1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000151773556 293301577 /nfs/dbraw/zinc/30/15/77/293301577.db2.gz PJLPZZCRPIYCPF-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000152295237 293326867 /nfs/dbraw/zinc/32/68/67/293326867.db2.gz SOEGRBMNJAXSHG-SFTDATJTSA-N 1 3 345.531 2.859 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1O ZINC000289854144 293927370 /nfs/dbraw/zinc/92/73/70/293927370.db2.gz RHLRWWBIJYDUAT-JYJNAYRXSA-N 1 3 336.476 2.941 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290104976 294000655 /nfs/dbraw/zinc/00/06/55/294000655.db2.gz XXMMTMRLJWVAHL-IZBJGVDFSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000290123196 294004856 /nfs/dbraw/zinc/00/48/56/294004856.db2.gz LFVKVLQDZSBGSF-WOJBJXKFSA-N 1 3 343.515 2.744 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290129669 294006275 /nfs/dbraw/zinc/00/62/75/294006275.db2.gz ZJZBDJYQLUURQB-FQEVSTJZSA-N 1 3 341.455 2.710 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CNC1CC(OC(C)(C)C)C1 ZINC000290256240 294039772 /nfs/dbraw/zinc/03/97/72/294039772.db2.gz KGBHJXAHBNZBAT-UHFFFAOYSA-N 1 3 335.492 2.848 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000290269825 294043196 /nfs/dbraw/zinc/04/31/96/294043196.db2.gz WAHHLGMETBWERX-QYZOEREBSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290306514 294052509 /nfs/dbraw/zinc/05/25/09/294052509.db2.gz COECLMOULJXZSB-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC(=O)C12CCCN1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290306514 294052512 /nfs/dbraw/zinc/05/25/12/294052512.db2.gz COECLMOULJXZSB-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO COCOc1ccc(OC)cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290375656 294070371 /nfs/dbraw/zinc/07/03/71/294070371.db2.gz HUFGHZIJSYXUEU-QGZVFWFLSA-N 1 3 348.487 2.842 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@H](C[NH+](C)C)C1 ZINC000290393091 294075195 /nfs/dbraw/zinc/07/51/95/294075195.db2.gz SJUZCFHXRLLIGS-MRXNPFEDSA-N 1 3 336.476 2.746 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000290399882 294076410 /nfs/dbraw/zinc/07/64/10/294076410.db2.gz JHGOXGZQKSVLCQ-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000290399882 294076411 /nfs/dbraw/zinc/07/64/11/294076411.db2.gz JHGOXGZQKSVLCQ-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290399882 294076413 /nfs/dbraw/zinc/07/64/13/294076413.db2.gz JHGOXGZQKSVLCQ-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290399882 294076414 /nfs/dbraw/zinc/07/64/14/294076414.db2.gz JHGOXGZQKSVLCQ-WOJBJXKFSA-N 1 3 332.488 2.766 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000290459384 294093003 /nfs/dbraw/zinc/09/30/03/294093003.db2.gz WKUYHQWNONQWLS-UEXGIBASSA-N 1 3 346.515 2.931 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000290459378 294093145 /nfs/dbraw/zinc/09/31/45/294093145.db2.gz WKUYHQWNONQWLS-OPYAIIAOSA-N 1 3 346.515 2.931 20 0 EFADHO C[C@@H](C[NH2+]CC1(O)CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000290473987 294095656 /nfs/dbraw/zinc/09/56/56/294095656.db2.gz UXRHBDNQQDRAHR-ZDUSSCGKSA-N 1 3 330.394 2.855 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000290473434 294095810 /nfs/dbraw/zinc/09/58/10/294095810.db2.gz XAZJNBNWOQAALB-UHOSZYNNSA-N 1 3 347.503 2.705 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000290473426 294096000 /nfs/dbraw/zinc/09/60/00/294096000.db2.gz XAZJNBNWOQAALB-QXAKKESOSA-N 1 3 347.503 2.705 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000290487600 294099697 /nfs/dbraw/zinc/09/96/97/294099697.db2.gz VRGSRUXFVJKMDU-MSOLQXFVSA-N 1 3 344.455 2.672 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Br)nc1 ZINC000290594231 294130314 /nfs/dbraw/zinc/13/03/14/294130314.db2.gz GRTWPBKKMBXMDN-OCCSQVGLSA-N 1 3 344.297 2.852 20 0 EFADHO COc1cc(OC)c(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290611116 294135555 /nfs/dbraw/zinc/13/55/55/294135555.db2.gz WPIUIPRHNWRDTB-INIZCTEOSA-N 1 3 348.487 2.876 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290943866 294226793 /nfs/dbraw/zinc/22/67/93/294226793.db2.gz ORLNPXKDXCXQMW-USXIJHARSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000290943866 294226796 /nfs/dbraw/zinc/22/67/96/294226796.db2.gz ORLNPXKDXCXQMW-USXIJHARSA-N 1 3 332.444 2.527 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCCC1 ZINC000291032411 294253477 /nfs/dbraw/zinc/25/34/77/294253477.db2.gz HCFATNWNFFLKQM-GOSISDBHSA-N 1 3 331.460 2.618 20 0 EFADHO Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000291149184 294290345 /nfs/dbraw/zinc/29/03/45/294290345.db2.gz IGQCIZYZWRDDGE-YWZLYKJASA-N 1 3 330.472 2.860 20 0 EFADHO COC(=O)CCCN1CCC(Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000291281922 294334432 /nfs/dbraw/zinc/33/44/32/294334432.db2.gz UYCGSTIVBQAQFR-UHFFFAOYSA-N 1 3 333.476 2.578 20 0 EFADHO CO[C@H](CC(C)C)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419244239 294369741 /nfs/dbraw/zinc/36/97/41/294369741.db2.gz UIDUFFLTGDGXNJ-LJQANCHMSA-N 1 3 325.541 2.538 20 0 EFADHO CCC[C@@H](C)C(=O)NCCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293582141 295004220 /nfs/dbraw/zinc/00/42/20/295004220.db2.gz CCMMSCIEEXSGCZ-IAGOWNOFSA-N 1 3 349.519 2.830 20 0 EFADHO CCC[C@H](C)C(=O)NCCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293582140 295004294 /nfs/dbraw/zinc/00/42/94/295004294.db2.gz CCMMSCIEEXSGCZ-DLBZAZTESA-N 1 3 349.519 2.830 20 0 EFADHO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000293586895 295005430 /nfs/dbraw/zinc/00/54/30/295005430.db2.gz KECBFKQCHNLDJU-KKSFZXQISA-N 1 3 340.467 2.680 20 0 EFADHO C[C@H](C(=O)NC(C)(C)CCC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000293670709 295024427 /nfs/dbraw/zinc/02/44/27/295024427.db2.gz MSZSTKSAVXEIMS-QGZVFWFLSA-N 1 3 345.531 2.963 20 0 EFADHO Cc1sccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000293724289 295036346 /nfs/dbraw/zinc/03/63/46/295036346.db2.gz YSFSUQSTYHLRBC-UHFFFAOYSA-N 1 3 331.485 2.638 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803027 295052923 /nfs/dbraw/zinc/05/29/23/295052923.db2.gz AEGGRIOCAUASGW-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803027 295052925 /nfs/dbraw/zinc/05/29/25/295052925.db2.gz AEGGRIOCAUASGW-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO FC(F)(F)CN1CC[C@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294149732 295119134 /nfs/dbraw/zinc/11/91/34/295119134.db2.gz HINGTJWJXVMWGG-CQSZACIVSA-N 1 3 342.409 2.524 20 0 EFADHO OCC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000294151279 295119585 /nfs/dbraw/zinc/11/95/85/295119585.db2.gz HLJCNTLJCVYRLR-GOSISDBHSA-N 1 3 325.456 2.806 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000294297939 295143045 /nfs/dbraw/zinc/14/30/45/295143045.db2.gz CUUGPLNGDVOIHH-IAGOWNOFSA-N 1 3 337.533 2.714 20 0 EFADHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000294604553 295193148 /nfs/dbraw/zinc/19/31/48/295193148.db2.gz DJJNRNCUEAUZQP-HNNXBMFYSA-N 1 3 329.444 2.946 20 0 EFADHO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)ccc1OC(=O)C1CC1 ZINC000294738459 295218008 /nfs/dbraw/zinc/21/80/08/295218008.db2.gz DUNLRQGIVIDXFA-ALOPSCKCSA-N 1 3 344.455 2.725 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295105500 295268607 /nfs/dbraw/zinc/26/86/07/295268607.db2.gz VMMVDLACOGEXMP-WZYMTQMTSA-N 1 3 331.460 2.627 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295105500 295268608 /nfs/dbraw/zinc/26/86/08/295268608.db2.gz VMMVDLACOGEXMP-WZYMTQMTSA-N 1 3 331.460 2.627 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000295107916 295269319 /nfs/dbraw/zinc/26/93/19/295269319.db2.gz WYWMEONJKMYFBF-IRFCIJBXSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000295107916 295269320 /nfs/dbraw/zinc/26/93/20/295269320.db2.gz WYWMEONJKMYFBF-IRFCIJBXSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1nccnc1CCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295107916 295269322 /nfs/dbraw/zinc/26/93/22/295269322.db2.gz WYWMEONJKMYFBF-IRFCIJBXSA-N 1 3 336.483 2.828 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295189051 295280038 /nfs/dbraw/zinc/28/00/38/295280038.db2.gz NTYHZQRGQHGDHE-ZHALLVOQSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000295226875 295284849 /nfs/dbraw/zinc/28/48/49/295284849.db2.gz RMFBTZCFLNOOQP-INIZCTEOSA-N 1 3 329.488 2.675 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000295235303 295285960 /nfs/dbraw/zinc/28/59/60/295285960.db2.gz SFSQRTRLCMKARJ-SFHVURJKSA-N 1 3 331.504 2.542 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000295273169 295291281 /nfs/dbraw/zinc/29/12/81/295291281.db2.gz VUXRCJUQTLYBAV-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000295273169 295291283 /nfs/dbraw/zinc/29/12/83/295291283.db2.gz VUXRCJUQTLYBAV-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000295336771 295302876 /nfs/dbraw/zinc/30/28/76/295302876.db2.gz ZVOOSRPODQXZPT-HNNXBMFYSA-N 1 3 335.517 2.605 20 0 EFADHO COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)c1 ZINC000422750233 295326164 /nfs/dbraw/zinc/32/61/64/295326164.db2.gz AIAJWWFDAGETMS-WMWLNJEOSA-N 1 3 329.488 2.705 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3ccc(C(C)(C)O)cc3)CC2)CC1 ZINC000295482715 295328032 /nfs/dbraw/zinc/32/80/32/295328032.db2.gz RMTYLTGLPQDSPE-UHFFFAOYSA-N 1 3 345.531 2.562 20 0 EFADHO Cc1cnccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000295501459 295331401 /nfs/dbraw/zinc/33/14/01/295331401.db2.gz UBOJJCIIXFYDMH-HXUWFJFHSA-N 1 3 325.456 2.637 20 0 EFADHO Cc1cnccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000295501459 295331402 /nfs/dbraw/zinc/33/14/02/295331402.db2.gz UBOJJCIIXFYDMH-HXUWFJFHSA-N 1 3 325.456 2.637 20 0 EFADHO CC[C@@H](C)[NH+]1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000295933756 295399013 /nfs/dbraw/zinc/39/90/13/295399013.db2.gz GCUXWWVCMPOTBR-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340963243 297358186 /nfs/dbraw/zinc/35/81/86/297358186.db2.gz IZVWPGLZBLWLJF-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000340963243 297358187 /nfs/dbraw/zinc/35/81/87/297358187.db2.gz IZVWPGLZBLWLJF-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCCCC1 ZINC000246522353 298079661 /nfs/dbraw/zinc/07/96/61/298079661.db2.gz UYLXRLILCVNCHO-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCCCC1 ZINC000246522353 298079663 /nfs/dbraw/zinc/07/96/63/298079663.db2.gz UYLXRLILCVNCHO-ZIFCJYIRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374169577 298186296 /nfs/dbraw/zinc/18/62/96/298186296.db2.gz DENSNHIBOUXJDU-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C1CC1)N(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000367200943 298248257 /nfs/dbraw/zinc/24/82/57/298248257.db2.gz QBJOCIBAEKOLCE-MRXNPFEDSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000350520011 298572018 /nfs/dbraw/zinc/57/20/18/298572018.db2.gz RCJMJUSDPYQOIR-ZHALLVOQSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000262729420 300820278 /nfs/dbraw/zinc/82/02/78/300820278.db2.gz BIEWMYUPHSMXIH-BJLQDIEVSA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000237653835 301793120 /nfs/dbraw/zinc/79/31/20/301793120.db2.gz YECUQSAPTIVESA-APWZRJJASA-N 1 3 331.504 2.740 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000120121858 301796194 /nfs/dbraw/zinc/79/61/94/301796194.db2.gz SQCAEBRSOSKJLA-ICSRJNTNSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237623797 301796436 /nfs/dbraw/zinc/79/64/36/301796436.db2.gz WJPCVEXKVXEORV-AZUAARDMSA-N 1 3 329.488 2.780 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C)N(C)C ZINC000422214634 302202817 /nfs/dbraw/zinc/20/28/17/302202817.db2.gz ZNIRCDQOVDXBAK-SCTDSRPQSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1C)N(C)C ZINC000422214634 302202819 /nfs/dbraw/zinc/20/28/19/302202819.db2.gz ZNIRCDQOVDXBAK-SCTDSRPQSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422735446 302588866 /nfs/dbraw/zinc/58/88/66/302588866.db2.gz UTXMNCTVFLXVSS-DJJJIMSYSA-N 1 3 330.451 2.941 20 0 EFADHO NC(=O)CC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000421354608 303241178 /nfs/dbraw/zinc/24/11/78/303241178.db2.gz WVOOLRQJHAJBIH-IPMKNSEASA-N 1 3 341.499 2.532 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414674663 303366528 /nfs/dbraw/zinc/36/65/28/303366528.db2.gz KZXSLTMTRIPLSO-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414674663 303366531 /nfs/dbraw/zinc/36/65/31/303366531.db2.gz KZXSLTMTRIPLSO-RHSMWYFYSA-N 1 3 335.879 2.674 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000376336340 303650310 /nfs/dbraw/zinc/65/03/10/303650310.db2.gz LVASDQJCWQQDEW-HKUYNNGSSA-N 1 3 329.488 2.720 20 0 EFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000297047125 310846203 /nfs/dbraw/zinc/84/62/03/310846203.db2.gz VKSZMTPFMXEWNV-IBGZPJMESA-N 1 3 327.476 2.809 20 0 EFADHO O=C1C[C@H]([NH2+]C2CCN(c3ccncc3)CC2)CN1C1CCCCC1 ZINC000297796766 310930991 /nfs/dbraw/zinc/93/09/91/310930991.db2.gz XCFQUHGGISGASP-KRWDZBQOSA-N 1 3 342.487 2.574 20 0 EFADHO COc1cc(CNCc2cccc(C[NH+](C)C)c2)cc(OC)c1O ZINC000298330973 310979288 /nfs/dbraw/zinc/97/92/88/310979288.db2.gz OTHPTCKPIGSAAN-UHFFFAOYSA-N 1 3 330.428 2.761 20 0 EFADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000298399301 310985770 /nfs/dbraw/zinc/98/57/70/310985770.db2.gz LQLLJENXAQEOQL-QGZVFWFLSA-N 1 3 343.446 2.630 20 0 EFADHO CN(C)C(=O)c1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000298407279 310986592 /nfs/dbraw/zinc/98/65/92/310986592.db2.gz LZVVJMXDMYRWEK-UHFFFAOYSA-N 1 3 338.455 2.542 20 0 EFADHO COc1ccc([C@@H](C[NH2+]C2CCN(C3CC3)CC2)N(C)C)cc1OC ZINC000298564401 311003654 /nfs/dbraw/zinc/00/36/54/311003654.db2.gz WHNKEWKFFNGQQX-GOSISDBHSA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@@H](CNC2CC[NH+](C3CC3)CC2)N(C)C)cc1OC ZINC000298564401 311003655 /nfs/dbraw/zinc/00/36/55/311003655.db2.gz WHNKEWKFFNGQQX-GOSISDBHSA-N 1 3 347.503 2.523 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000298648004 311010770 /nfs/dbraw/zinc/01/07/70/311010770.db2.gz LRJDNWSIZGFQSI-IBGZPJMESA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N(C)C ZINC000298861006 311029751 /nfs/dbraw/zinc/02/97/51/311029751.db2.gz FNXBYJPZAAKXNY-MRXNPFEDSA-N 1 3 332.492 2.787 20 0 EFADHO COc1cc2nccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2cc1OC ZINC000298965903 311038063 /nfs/dbraw/zinc/03/80/63/311038063.db2.gz QLEGHADJZBDHKP-AWEZNQCLSA-N 1 3 325.412 2.703 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416473 311082721 /nfs/dbraw/zinc/08/27/21/311082721.db2.gz UDDBFRMZDDEJJA-SXLOBPIMSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416473 311082722 /nfs/dbraw/zinc/08/27/22/311082722.db2.gz UDDBFRMZDDEJJA-SXLOBPIMSA-N 1 3 334.504 2.837 20 0 EFADHO CN(C)CC(C)(C)C[NH2+]Cc1cccc(I)c1 ZINC000310201349 311229569 /nfs/dbraw/zinc/22/95/69/311229569.db2.gz BULMWXILQDUEET-UHFFFAOYSA-N 1 3 346.256 2.969 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000310419097 311229632 /nfs/dbraw/zinc/22/96/32/311229632.db2.gz NRKVZAMCWMTTNX-IEBWSBKVSA-N 1 3 329.488 2.675 20 0 EFADHO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000324024177 311240876 /nfs/dbraw/zinc/24/08/76/311240876.db2.gz OFYCYRJAGXZGKA-OAQYLSRUSA-N 1 3 349.478 2.608 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000327222370 311244786 /nfs/dbraw/zinc/24/47/86/311244786.db2.gz JIIHYCYAHQSNSI-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000327222370 311244788 /nfs/dbraw/zinc/24/47/88/311244788.db2.gz JIIHYCYAHQSNSI-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000327222371 311244959 /nfs/dbraw/zinc/24/49/59/311244959.db2.gz JIIHYCYAHQSNSI-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1 ZINC000327222371 311244960 /nfs/dbraw/zinc/24/49/60/311244960.db2.gz JIIHYCYAHQSNSI-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000333319175 311598894 /nfs/dbraw/zinc/59/88/94/311598894.db2.gz UCKDSLUCYJFLTM-IETSOEAISA-N 1 3 341.908 2.699 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)n[nH]1 ZINC000333825383 311664309 /nfs/dbraw/zinc/66/43/09/311664309.db2.gz LNDFJLHETLAMQV-FGTMMUONSA-N 1 3 331.508 2.587 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000411497326 311978864 /nfs/dbraw/zinc/97/88/64/311978864.db2.gz YXSIFNUSHNBDSU-SJORKVTESA-N 1 3 331.504 2.757 20 0 EFADHO CC[C@H]1CCC[C@@H](C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)C1 ZINC000414491463 312049918 /nfs/dbraw/zinc/04/99/18/312049918.db2.gz ZCINCIXXECKJCF-RBUKOAKNSA-N 1 3 337.552 2.589 20 0 EFADHO C[C@@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414774778 312052280 /nfs/dbraw/zinc/05/22/80/312052280.db2.gz UVYLUQXNNOXEGU-YOEHRIQHSA-N 1 3 341.421 2.788 20 0 EFADHO COc1cc(Br)c(CNCC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414833242 312055904 /nfs/dbraw/zinc/05/59/04/312055904.db2.gz POAWFBMPBMBOTL-NSHDSACASA-N 1 3 343.265 2.556 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414836466 312056396 /nfs/dbraw/zinc/05/63/96/312056396.db2.gz JIVVWOYJMCGGME-ZIAGYGMSSA-N 1 3 325.884 2.522 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414837636 312056799 /nfs/dbraw/zinc/05/67/99/312056799.db2.gz KQAMNEJAFNLNCO-NEPJUHHUSA-N 1 3 327.856 2.511 20 0 EFADHO CNC[C@H](C)C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414841387 312057001 /nfs/dbraw/zinc/05/70/01/312057001.db2.gz NVBVBOUUBYCBHR-ZDUSSCGKSA-N 1 3 327.875 2.889 20 0 EFADHO C[NH2+]C[C@H](C)CNC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414841387 312057003 /nfs/dbraw/zinc/05/70/03/312057003.db2.gz NVBVBOUUBYCBHR-ZDUSSCGKSA-N 1 3 327.875 2.889 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414839933 312057080 /nfs/dbraw/zinc/05/70/80/312057080.db2.gz LWUOBNWFEIGXTJ-LPHOPBHVSA-N 1 3 331.504 2.621 20 0 EFADHO Brc1cc2c(c(CNCC[C@H]3CCC[NH2+]C3)c1)OCC2 ZINC000414843908 312057725 /nfs/dbraw/zinc/05/77/25/312057725.db2.gz QNJFWKDZDSLBQY-GFCCVEGCSA-N 1 3 339.277 2.863 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)c(OC)c1 ZINC000414849443 312057807 /nfs/dbraw/zinc/05/78/07/312057807.db2.gz XMVHHTWEQIJUNS-CQSZACIVSA-N 1 3 349.475 2.672 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414853135 312058514 /nfs/dbraw/zinc/05/85/14/312058514.db2.gz RWWGOZZZNAJNSB-KDOFPFPSSA-N 1 3 333.476 2.910 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCC[C@H]1CCC[NH2+]1 ZINC000414898906 312059788 /nfs/dbraw/zinc/05/97/88/312059788.db2.gz AWGAHGDRRKMRFY-GOEBONIOSA-N 1 3 337.895 2.809 20 0 EFADHO CN(c1ccccc1CNC[C@@]1(C)CCC[NH2+]C1)C1CCN(C)CC1 ZINC000414920344 312063163 /nfs/dbraw/zinc/06/31/63/312063163.db2.gz ZCNGWYGSVGBULX-NRFANRHFSA-N 1 3 344.547 2.696 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414936935 312067029 /nfs/dbraw/zinc/06/70/29/312067029.db2.gz ZOZOMKFSPLWPEU-CHWSQXEVSA-N 1 3 332.366 2.996 20 0 EFADHO CC(C)c1ccc(CCNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971373 312069057 /nfs/dbraw/zinc/06/90/57/312069057.db2.gz IGYAJSFJOCMEAV-KRWDZBQOSA-N 1 3 343.437 2.778 20 0 EFADHO COc1cc(Br)c(CNCCC[C@H]2CCC[NH2+]2)cc1O ZINC000414976414 312069909 /nfs/dbraw/zinc/06/99/09/312069909.db2.gz PXGPXMWZVCBZQK-LBPRGKRZSA-N 1 3 343.265 2.785 20 0 EFADHO COc1cc(Br)ccc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008966 312076717 /nfs/dbraw/zinc/07/67/17/312076717.db2.gz NNBXYNVZUMGOBN-LSDHHAIUSA-N 1 3 339.277 2.935 20 0 EFADHO C[C@H](CCC[NH3+])NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000415016289 312078134 /nfs/dbraw/zinc/07/81/34/312078134.db2.gz CFWDKTVNXKRVOQ-SNVBAGLBSA-N 1 3 328.247 2.791 20 0 EFADHO COc1ccc(OCc2nc(CN[C@@H]3CC[C@@H](C[NH3+])C3)cs2)cc1 ZINC000415043809 312082664 /nfs/dbraw/zinc/08/26/64/312082664.db2.gz SAWOMCIEOHXRJQ-ZIAGYGMSSA-N 1 3 347.484 2.948 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@]1(C)CN ZINC000415057461 312085416 /nfs/dbraw/zinc/08/54/16/312085416.db2.gz SWNSHDGOAOMMAM-QNDFHXLGSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C[C@@]1(C)CN ZINC000415057461 312085418 /nfs/dbraw/zinc/08/54/18/312085418.db2.gz SWNSHDGOAOMMAM-QNDFHXLGSA-N 1 3 327.516 2.814 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCCC[NH2+]C1CC1 ZINC000415072587 312087919 /nfs/dbraw/zinc/08/79/19/312087919.db2.gz WZXWUISPDCYIIQ-GFCCVEGCSA-N 1 3 339.867 2.797 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCNC1CC1 ZINC000415072587 312087922 /nfs/dbraw/zinc/08/79/22/312087922.db2.gz WZXWUISPDCYIIQ-GFCCVEGCSA-N 1 3 339.867 2.797 20 0 EFADHO C[C@@H](C[C@H]1CCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415074272 312088471 /nfs/dbraw/zinc/08/84/71/312088471.db2.gz CENHLILSQBQLSY-GOEBONIOSA-N 1 3 333.451 2.551 20 0 EFADHO CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000415077725 312088788 /nfs/dbraw/zinc/08/87/88/312088788.db2.gz HYJNNCVTXJXSKT-HUUCEWRRSA-N 1 3 335.517 2.647 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)C1 ZINC000415078078 312089187 /nfs/dbraw/zinc/08/91/87/312089187.db2.gz IESFFSQMNDAEKZ-AABGKKOBSA-N 1 3 343.515 2.575 20 0 EFADHO COc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415080735 312089584 /nfs/dbraw/zinc/08/95/84/312089584.db2.gz JOMSCZFDIGKJEZ-AZUAARDMSA-N 1 3 331.504 2.954 20 0 EFADHO CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415084318 312090462 /nfs/dbraw/zinc/09/04/62/312090462.db2.gz OSRWCWNDDUHBAW-RTBURBONSA-N 1 3 331.504 2.575 20 0 EFADHO CCC(CC)[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415085063 312091017 /nfs/dbraw/zinc/09/10/17/312091017.db2.gz QEJYTHBNXUXKJI-UZLBHIALSA-N 1 3 331.504 2.951 20 0 EFADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000415089465 312091860 /nfs/dbraw/zinc/09/18/60/312091860.db2.gz XXVUUOPTONATSB-XUVXKRRUSA-N 1 3 338.499 2.984 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCNC2)CC1)c1ccccc1 ZINC000415099217 312093604 /nfs/dbraw/zinc/09/36/04/312093604.db2.gz GIYSCNLSWBGTOH-XLIONFOSSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415108376 312095500 /nfs/dbraw/zinc/09/55/00/312095500.db2.gz QAWAIWZWMQSLSA-UGUYLWEFSA-N 1 3 325.497 2.781 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415112515 312096250 /nfs/dbraw/zinc/09/62/50/312096250.db2.gz SHNCCXFTMJQACB-UXHICEINSA-N 1 3 332.488 2.976 20 0 EFADHO CC(C)COc1cccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415125026 312098471 /nfs/dbraw/zinc/09/84/71/312098471.db2.gz KZFKXNTUGLOSNH-GOSISDBHSA-N 1 3 343.475 2.609 20 0 EFADHO CC(C)n1cc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000415137964 312101628 /nfs/dbraw/zinc/10/16/28/312101628.db2.gz UONAYZPKADBRON-UHFFFAOYSA-N 1 3 341.503 2.547 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@@H](CC[NH3+])C2)c(OCCN(C)C)c1 ZINC000415199155 312112827 /nfs/dbraw/zinc/11/28/27/312112827.db2.gz CXMJBNJIVDLQPC-INIZCTEOSA-N 1 3 348.491 2.528 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415200449 312113094 /nfs/dbraw/zinc/11/30/94/312113094.db2.gz FKHOHOLASZIDJT-HZPDHXFCSA-N 1 3 348.491 2.574 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415200451 312113194 /nfs/dbraw/zinc/11/31/94/312113194.db2.gz FKHOHOLASZIDJT-JKSUJKDBSA-N 1 3 348.491 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(OCCN(C)C)c1 ZINC000415210659 312114526 /nfs/dbraw/zinc/11/45/26/312114526.db2.gz XBZCHYGDOXOHPD-CVEARBPZSA-N 1 3 348.491 2.527 20 0 EFADHO CC1CC[NH+](CCCNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415885487 312179272 /nfs/dbraw/zinc/17/92/72/312179272.db2.gz SAWFFXNTRUECQG-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@@H]1C ZINC000415887392 312179626 /nfs/dbraw/zinc/17/96/26/312179626.db2.gz XKOAKBSDABIHMN-KSSFIOAISA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@@H]1C ZINC000415887392 312179627 /nfs/dbraw/zinc/17/96/27/312179627.db2.gz XKOAKBSDABIHMN-KSSFIOAISA-N 1 3 330.476 2.669 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000415885999 312179736 /nfs/dbraw/zinc/17/97/36/312179736.db2.gz SZYUNYNKBCPZBR-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000415909235 312180537 /nfs/dbraw/zinc/18/05/37/312180537.db2.gz SKMQQVYFXGDZQU-UHFFFAOYSA-N 1 3 328.460 2.664 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCCC23CCN(C)CC3)c1 ZINC000415913083 312180960 /nfs/dbraw/zinc/18/09/60/312180960.db2.gz ORHJLLADBIHLKN-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+](C)C ZINC000415968847 312187222 /nfs/dbraw/zinc/18/72/22/312187222.db2.gz FTHIKUUVXQVKBI-QGZVFWFLSA-N 1 3 348.491 2.657 20 0 EFADHO C[NH+](C)CC1(NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CCC1 ZINC000415969863 312187249 /nfs/dbraw/zinc/18/72/49/312187249.db2.gz KLHFNJZADSGTKQ-UHFFFAOYSA-N 1 3 344.381 2.770 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)CNCCO2)C(C)(C)C ZINC000415971919 312187738 /nfs/dbraw/zinc/18/77/38/312187738.db2.gz KJKWUURXJWHNNS-KRWDZBQOSA-N 1 3 348.491 2.657 20 0 EFADHO CC(C)[NH+](CCCNC(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415972693 312188373 /nfs/dbraw/zinc/18/83/73/312188373.db2.gz LPTMBODKTNAVHR-UHFFFAOYSA-N 1 3 348.491 2.799 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000415977929 312188938 /nfs/dbraw/zinc/18/89/38/312188938.db2.gz OYHOCLFUAISWLY-HNAYVOBHSA-N 1 3 338.455 2.930 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415978359 312189230 /nfs/dbraw/zinc/18/92/30/312189230.db2.gz XOJJBXAIDXSIBP-JTQLQIEISA-N 1 3 332.370 2.626 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000417312704 312207723 /nfs/dbraw/zinc/20/77/23/312207723.db2.gz OEMYSTXDYRVFEJ-IBGZPJMESA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000417351281 312212701 /nfs/dbraw/zinc/21/27/01/312212701.db2.gz BYTCJVISZRXLDR-RTBURBONSA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000417353334 312212900 /nfs/dbraw/zinc/21/29/00/312212900.db2.gz ISNQLTHUJAUKDS-LJQANCHMSA-N 1 3 344.503 2.573 20 0 EFADHO CCC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CC1(C)C ZINC000417357637 312213661 /nfs/dbraw/zinc/21/36/61/312213661.db2.gz HAQHMSJHUPYXAS-ZWKOTPCHSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCN[C@H](C)[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000417358450 312213676 /nfs/dbraw/zinc/21/36/76/312213676.db2.gz TXUDCUYONAIACP-AOIWGVFYSA-N 1 3 344.503 2.524 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000417465007 312226605 /nfs/dbraw/zinc/22/66/05/312226605.db2.gz RPXCTQHTMBRPKZ-IBGZPJMESA-N 1 3 342.487 2.869 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C(C)C ZINC000417465007 312226607 /nfs/dbraw/zinc/22/66/07/312226607.db2.gz RPXCTQHTMBRPKZ-IBGZPJMESA-N 1 3 342.487 2.869 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000417619534 312248791 /nfs/dbraw/zinc/24/87/91/312248791.db2.gz FFMFXQLIMPSKKR-SJORKVTESA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417623644 312248936 /nfs/dbraw/zinc/24/89/36/312248936.db2.gz KCPKDXYWIHDPIU-DOTOQJQBSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCCC[NH2+]C1CC1)c1ccccc1 ZINC000417624565 312249164 /nfs/dbraw/zinc/24/91/64/312249164.db2.gz LBDFJPBHOYIUIL-OAHLLOKOSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000417635833 312250463 /nfs/dbraw/zinc/25/04/63/312250463.db2.gz WXGRXVFDKRDTGD-JZXOWHBKSA-N 1 3 346.519 2.933 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417636433 312250643 /nfs/dbraw/zinc/25/06/43/312250643.db2.gz XVUFEEPRLKOBHL-SJLPKXTDSA-N 1 3 346.519 2.947 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000417654107 312253110 /nfs/dbraw/zinc/25/31/10/312253110.db2.gz RLQISQBELRMRQJ-RBUKOAKNSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417688717 312257215 /nfs/dbraw/zinc/25/72/15/312257215.db2.gz JEAVRSQWTIBSNE-CVEARBPZSA-N 1 3 332.492 2.639 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000417695124 312257989 /nfs/dbraw/zinc/25/79/89/312257989.db2.gz TYENIMJTFQFUQH-APWZRJJASA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000417698699 312258623 /nfs/dbraw/zinc/25/86/23/312258623.db2.gz XYOPSFNSVCRUEJ-INIZCTEOSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417699110 312258755 /nfs/dbraw/zinc/25/87/55/312258755.db2.gz YUHYENMPNXRPGM-QFBILLFUSA-N 1 3 346.519 2.885 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000417743033 312264255 /nfs/dbraw/zinc/26/42/55/312264255.db2.gz BTDFVJLPFHITPC-FHLIZLRMSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000417743033 312264256 /nfs/dbraw/zinc/26/42/56/312264256.db2.gz BTDFVJLPFHITPC-FHLIZLRMSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH3+] ZINC000417817292 312274283 /nfs/dbraw/zinc/27/42/83/312274283.db2.gz DLMMIOYWWWVWEM-SJLPKXTDSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417818477 312274663 /nfs/dbraw/zinc/27/46/63/312274663.db2.gz FMUSCTMBTZIFLV-SJLPKXTDSA-N 1 3 346.519 2.523 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417830013 312277321 /nfs/dbraw/zinc/27/73/21/312277321.db2.gz RJKBFASVGFIGNK-YQVWRLOYSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000417845541 312280372 /nfs/dbraw/zinc/28/03/72/312280372.db2.gz IRKUKELQXAFJNI-CEXWTWQISA-N 1 3 346.519 2.982 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000417848564 312281161 /nfs/dbraw/zinc/28/11/61/312281161.db2.gz VOTLKDXGYHJJKW-JYPHPWERSA-N 1 3 344.503 2.609 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccccc2C(=O)N(C)C)C1 ZINC000417869301 312285777 /nfs/dbraw/zinc/28/57/77/312285777.db2.gz LAJRSWRPIIGLGA-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccccc2C(=O)N(C)C)C1 ZINC000417869301 312285779 /nfs/dbraw/zinc/28/57/79/312285779.db2.gz LAJRSWRPIIGLGA-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CC(C)C[C@H](CNC(=O)N1CCCNCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000417873168 312286907 /nfs/dbraw/zinc/28/69/07/312286907.db2.gz LLEFENRJKNWHBU-PKOBYXMFSA-N 1 3 346.519 2.757 20 0 EFADHO CC(C)C[C@@H](CNC(=O)N1CCCNCC1)[NH2+][C@H](C)c1ccccc1 ZINC000417873167 312286964 /nfs/dbraw/zinc/28/69/64/312286964.db2.gz LLEFENRJKNWHBU-MJGOQNOKSA-N 1 3 346.519 2.757 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417909414 312293746 /nfs/dbraw/zinc/29/37/46/312293746.db2.gz CTHGRRNXLMLSIE-GXOAENINSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417978686 312304133 /nfs/dbraw/zinc/30/41/33/312304133.db2.gz IGEYQUARNWHMGY-KZNAEPCWSA-N 1 3 346.519 2.571 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000418021703 312310308 /nfs/dbraw/zinc/31/03/08/312310308.db2.gz AAEPSCGGKHWORI-RTBURBONSA-N 1 3 346.519 2.536 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418104304 312326334 /nfs/dbraw/zinc/32/63/34/312326334.db2.gz XOZXFTVBVOQBPM-QZTJIDSGSA-N 1 3 346.519 2.886 20 0 EFADHO [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000418115660 312328795 /nfs/dbraw/zinc/32/87/95/312328795.db2.gz OWOLXRUIYYRCEC-IBGZPJMESA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418152693 312335485 /nfs/dbraw/zinc/33/54/85/312335485.db2.gz HSHGQVJEQPSLOM-FUHWJXTLSA-N 1 3 346.519 2.714 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000418159633 312336899 /nfs/dbraw/zinc/33/68/99/312336899.db2.gz AMTLEEUBZFUCBF-WMZOPIPTSA-N 1 3 346.519 2.947 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000418162541 312337434 /nfs/dbraw/zinc/33/74/34/312337434.db2.gz GIHYNKDGVVLPQJ-CWRNSKLLSA-N 1 3 336.480 2.526 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000418162175 312337463 /nfs/dbraw/zinc/33/74/63/312337463.db2.gz CFCTVHKNNYPTNR-SJLPKXTDSA-N 1 3 346.519 2.675 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])N(C)C ZINC000418162201 312337483 /nfs/dbraw/zinc/33/74/83/312337483.db2.gz CHHXWWLUKHJIGB-JZXOWHBKSA-N 1 3 334.508 2.803 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000418163521 312337788 /nfs/dbraw/zinc/33/77/88/312337788.db2.gz DMZQSXOKEVDPND-QFBILLFUSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000418171799 312339528 /nfs/dbraw/zinc/33/95/28/312339528.db2.gz VSXNULUNSMRWJS-CAOSSQGBSA-N 1 3 336.480 2.526 20 0 EFADHO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418175528 312340146 /nfs/dbraw/zinc/34/01/46/312340146.db2.gz GFOHJMLIRODQNO-WBVHZDCISA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC([C@@H](C)[NH3+])CC1)N(C)C ZINC000418176393 312340182 /nfs/dbraw/zinc/34/01/82/312340182.db2.gz GWJLYHPJBRBCEY-MDZRGWNJSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])N(C)C ZINC000418181233 312341379 /nfs/dbraw/zinc/34/13/79/312341379.db2.gz LCIMDWAONDCSTD-DKKFBQAASA-N 1 3 346.519 2.898 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1)N(C)C ZINC000418183692 312341546 /nfs/dbraw/zinc/34/15/46/312341546.db2.gz OSYTUNSZSRIVQU-IPELMVKDSA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])N(C)C ZINC000418183664 312341605 /nfs/dbraw/zinc/34/16/05/312341605.db2.gz ORBCSFROQXWOBZ-WBVHZDCISA-N 1 3 334.508 2.613 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000418184147 312341944 /nfs/dbraw/zinc/34/19/44/312341944.db2.gz PMDOXISJQDJVEJ-DFEOGRTESA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])N(C)C ZINC000418187093 312342387 /nfs/dbraw/zinc/34/23/87/312342387.db2.gz SOZBPVAEMHNMIU-NBMJBFSESA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1)N(C)C ZINC000418186476 312342557 /nfs/dbraw/zinc/34/25/57/312342557.db2.gz RZKLMEVVAZZGSA-LNLFQRSKSA-N 1 3 346.519 2.818 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C ZINC000418188451 312342920 /nfs/dbraw/zinc/34/29/20/312342920.db2.gz ULJNQNDVMGFAMY-JZXOWHBKSA-N 1 3 334.508 2.659 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000418189052 312343167 /nfs/dbraw/zinc/34/31/67/312343167.db2.gz HEJPTRDYHPJSLC-BHIYHBOVSA-N 1 3 346.519 2.664 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)C1 ZINC000418188787 312343262 /nfs/dbraw/zinc/34/32/62/312343262.db2.gz URVDXZJAFCXTLS-LNLFQRSKSA-N 1 3 346.519 2.627 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NC[C@@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000418192019 312343917 /nfs/dbraw/zinc/34/39/17/312343917.db2.gz YBELRDHUVWRMRZ-JKSUJKDBSA-N 1 3 340.899 2.759 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[C@H](CC[NH3+])C1)N(C)C ZINC000418193730 312344186 /nfs/dbraw/zinc/34/41/86/312344186.db2.gz ZQUJOPDHUZXVNQ-LMMKCTJWSA-N 1 3 346.519 2.757 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCC1=CC[NH2+]CC1)N(C)C ZINC000418192437 312344266 /nfs/dbraw/zinc/34/42/66/312344266.db2.gz YTIBHDJXKCJSPS-QFBILLFUSA-N 1 3 344.503 2.595 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000418193050 312344276 /nfs/dbraw/zinc/34/42/76/312344276.db2.gz NDTRTEJDUNRNGQ-DKKFBQAASA-N 1 3 344.503 2.561 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000418193482 312344315 /nfs/dbraw/zinc/34/43/15/312344315.db2.gz NQNVGDBEILMRFB-RTBURBONSA-N 1 3 346.519 2.621 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])N(C)C)cc1 ZINC000418195364 312344991 /nfs/dbraw/zinc/34/49/91/312344991.db2.gz PSGMQSFUWGLQSX-QAPCUYQASA-N 1 3 334.508 2.524 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418198301 312345699 /nfs/dbraw/zinc/34/56/99/312345699.db2.gz LGCPZEBERUDZJS-CRAIPNDOSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](N)c1ccccc1CC ZINC000418198301 312345701 /nfs/dbraw/zinc/34/57/01/312345701.db2.gz LGCPZEBERUDZJS-CRAIPNDOSA-N 1 3 334.508 2.668 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418199074 312345806 /nfs/dbraw/zinc/34/58/06/312345806.db2.gz MTRIOZOGEJLYEP-HNAYVOBHSA-N 1 3 342.487 2.868 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418199074 312345807 /nfs/dbraw/zinc/34/58/07/312345807.db2.gz MTRIOZOGEJLYEP-HNAYVOBHSA-N 1 3 342.487 2.868 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418220520 312349040 /nfs/dbraw/zinc/34/90/40/312349040.db2.gz UUUZZXXNUCMAPX-CRAIPNDOSA-N 1 3 334.508 2.526 20 0 EFADHO [NH3+]C1(CNC(=O)N2CCCN(Cc3ccccc3)CC2)CCCCC1 ZINC000418294940 312358022 /nfs/dbraw/zinc/35/80/22/312358022.db2.gz INGMCHPJROGOPM-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN([C@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000418470783 312359022 /nfs/dbraw/zinc/35/90/22/312359022.db2.gz VHMIESCIARSAGX-RCJHGTSTSA-N 1 3 344.503 2.578 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420344224 312362762 /nfs/dbraw/zinc/36/27/62/312362762.db2.gz SECJXROESJJECK-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1Cl ZINC000420343859 312362802 /nfs/dbraw/zinc/36/28/02/312362802.db2.gz RPQCBWIHLWLJHT-JYJNAYRXSA-N 1 3 349.906 2.839 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1Cl ZINC000420343857 312362860 /nfs/dbraw/zinc/36/28/60/312362860.db2.gz RPQCBWIHLWLJHT-HRCADAONSA-N 1 3 349.906 2.839 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000420766518 312386210 /nfs/dbraw/zinc/38/62/10/312386210.db2.gz SEARQHXVLOGKED-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000420766518 312386212 /nfs/dbraw/zinc/38/62/12/312386212.db2.gz SEARQHXVLOGKED-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H](CCNC(=O)N(C)C[C@@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000420788175 312390616 /nfs/dbraw/zinc/39/06/16/312390616.db2.gz DFIYGUXFZRNNCP-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N(C)C[C@@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000420788175 312390617 /nfs/dbraw/zinc/39/06/17/312390617.db2.gz DFIYGUXFZRNNCP-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)C[C@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000420788178 312390684 /nfs/dbraw/zinc/39/06/84/312390684.db2.gz DFIYGUXFZRNNCP-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)C[C@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000420788178 312390687 /nfs/dbraw/zinc/39/06/87/312390687.db2.gz DFIYGUXFZRNNCP-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420820486 312396912 /nfs/dbraw/zinc/39/69/12/312396912.db2.gz MJMMBHOJSYEOQH-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420820486 312396913 /nfs/dbraw/zinc/39/69/13/312396913.db2.gz MJMMBHOJSYEOQH-QRQLOZEOSA-N 1 3 344.503 2.558 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3NCCCC3(C)C)C2)CC1 ZINC000423354210 312414856 /nfs/dbraw/zinc/41/48/56/312414856.db2.gz FUVPTSYGSLCAGZ-ROUUACIJSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(F)c1 ZINC000423371750 312416677 /nfs/dbraw/zinc/41/66/77/312416677.db2.gz ATWUEDWOJRMCPL-LSDHHAIUSA-N 1 3 333.373 2.703 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H](C)[NH3+] ZINC000423386041 312418672 /nfs/dbraw/zinc/41/86/72/312418672.db2.gz LTKFDZMYCPFTNR-YJBOKZPZSA-N 1 3 349.544 2.836 20 0 EFADHO CC[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423453779 312420168 /nfs/dbraw/zinc/42/01/68/312420168.db2.gz KWLMWMQTQRBJBN-LMMKCTJWSA-N 1 3 333.451 2.513 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423740668 312446341 /nfs/dbraw/zinc/44/63/41/312446341.db2.gz JCNPEIZUYIFADG-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](N)Cc1ccccc1 ZINC000423747528 312447713 /nfs/dbraw/zinc/44/77/13/312447713.db2.gz SLCDQTIHVVCLDL-FQEVSTJZSA-N 1 3 339.483 2.667 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763377 312450248 /nfs/dbraw/zinc/45/02/48/312450248.db2.gz UMSFQMHYXKWPCV-HNNXBMFYSA-N 1 3 337.895 2.892 20 0 EFADHO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@]2(N)[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000423780759 312452315 /nfs/dbraw/zinc/45/23/15/312452315.db2.gz GTEGCKFJUWXOLL-ABSDTBQOSA-N 1 3 345.487 2.528 20 0 EFADHO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccccc1CN(C)C ZINC000423949674 312487626 /nfs/dbraw/zinc/48/76/26/312487626.db2.gz XRWVTXCPGKTPAV-IBGZPJMESA-N 1 3 325.456 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000424009991 312495377 /nfs/dbraw/zinc/49/53/77/312495377.db2.gz KIHFJCYLCVUTBX-OTWHNJEPSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1C[C@H](C)N(C(=O)c2cccc(CN3CCCC3)c2)C[C@@H]1C[NH3+] ZINC000424079735 312508472 /nfs/dbraw/zinc/50/84/72/312508472.db2.gz UOXITYAZIIBTJT-GJYPPUQNSA-N 1 3 329.488 2.728 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000450546358 312704211 /nfs/dbraw/zinc/70/42/11/312704211.db2.gz GXHSSIWKLRXWBB-UHFFFAOYSA-N 1 3 347.547 2.593 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453341406 312890035 /nfs/dbraw/zinc/89/00/35/312890035.db2.gz LMRXCXMEIKYIDL-HZPDHXFCSA-N 1 3 330.476 2.642 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N1CCC(C)CC1 ZINC000458058520 313064192 /nfs/dbraw/zinc/06/41/92/313064192.db2.gz ZXUGQYUDKRNGQG-MRXNPFEDSA-N 1 3 326.529 2.526 20 0 EFADHO CCc1ccc([C@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459447021 313107703 /nfs/dbraw/zinc/10/77/03/313107703.db2.gz VMVIJYZFHPBOKW-FQEVSTJZSA-N 1 3 325.456 2.936 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471789753 313159877 /nfs/dbraw/zinc/15/98/77/313159877.db2.gz RDQUUTHBECQPBY-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO C[C@@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474627423 313210794 /nfs/dbraw/zinc/21/07/94/313210794.db2.gz ITOBKYAPIWUTIP-ZOBORPQBSA-N 1 3 328.909 2.940 20 0 EFADHO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475017721 313214283 /nfs/dbraw/zinc/21/42/83/313214283.db2.gz RMAPGLNOVYRUFN-RTBURBONSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000475017721 313214286 /nfs/dbraw/zinc/21/42/86/313214286.db2.gz RMAPGLNOVYRUFN-RTBURBONSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC000475035397 313214751 /nfs/dbraw/zinc/21/47/51/313214751.db2.gz YTHUBEJAUOITHU-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C)CC1CCCCC1)c1ccccc1 ZINC000475035397 313214757 /nfs/dbraw/zinc/21/47/57/313214757.db2.gz YTHUBEJAUOITHU-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000475100645 313217253 /nfs/dbraw/zinc/21/72/53/313217253.db2.gz JQYLVRRAJJHYOE-AEFFLSMTSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146000 313219479 /nfs/dbraw/zinc/21/94/79/313219479.db2.gz TXOMUWIHUFNZFE-MSOLQXFVSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000475146000 313219484 /nfs/dbraw/zinc/21/94/84/313219484.db2.gz TXOMUWIHUFNZFE-MSOLQXFVSA-N 1 3 331.504 2.774 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000476964478 313238434 /nfs/dbraw/zinc/23/84/34/313238434.db2.gz TWEUNWMMGDKJQI-UHFFFAOYSA-N 1 3 338.540 2.770 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000478795352 313256336 /nfs/dbraw/zinc/25/63/36/313256336.db2.gz IPRVWURQFGPOAL-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000478795352 313256338 /nfs/dbraw/zinc/25/63/38/313256338.db2.gz IPRVWURQFGPOAL-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccccc1 ZINC000482157241 313299877 /nfs/dbraw/zinc/29/98/77/313299877.db2.gz NMUQSSQCYGILKD-CMKODMSKSA-N 1 3 334.504 2.917 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000482157241 313299880 /nfs/dbraw/zinc/29/98/80/313299880.db2.gz NMUQSSQCYGILKD-CMKODMSKSA-N 1 3 334.504 2.917 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccccc1 ZINC000482157243 313299898 /nfs/dbraw/zinc/29/98/98/313299898.db2.gz NMUQSSQCYGILKD-NSHGMRRFSA-N 1 3 334.504 2.917 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000482157243 313299901 /nfs/dbraw/zinc/29/99/01/313299901.db2.gz NMUQSSQCYGILKD-NSHGMRRFSA-N 1 3 334.504 2.917 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483810327 313316023 /nfs/dbraw/zinc/31/60/23/313316023.db2.gz UDFZSAYVTGXKOS-ZUMXRPEOSA-N 1 3 342.886 2.948 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000483810327 313316024 /nfs/dbraw/zinc/31/60/24/313316024.db2.gz UDFZSAYVTGXKOS-ZUMXRPEOSA-N 1 3 342.886 2.948 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)CC1 ZINC000486962339 313352544 /nfs/dbraw/zinc/35/25/44/313352544.db2.gz CDCWCZHYWPWZKK-IHWYPQMZSA-N 1 3 336.483 2.632 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486978777 313354677 /nfs/dbraw/zinc/35/46/77/313354677.db2.gz HIHCOAPXPWHNMX-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC000486978777 313354682 /nfs/dbraw/zinc/35/46/82/313354682.db2.gz HIHCOAPXPWHNMX-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H](NCC1CC[NH+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000492773221 314119327 /nfs/dbraw/zinc/11/93/27/314119327.db2.gz SCHLUZBKKIQYTJ-CQSZACIVSA-N 1 3 348.491 2.843 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494264423 314566804 /nfs/dbraw/zinc/56/68/04/314566804.db2.gz GZEJQVYNPJZBKU-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)Cc1ccc(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cc1 ZINC000496347508 315035414 /nfs/dbraw/zinc/03/54/14/315035414.db2.gz XILSUOGAJMJCQS-UHFFFAOYSA-N 1 3 333.476 2.894 20 0 EFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000496422683 315062462 /nfs/dbraw/zinc/06/24/62/315062462.db2.gz XMYJHYMDTWSGSE-RCCFBDPRSA-N 1 3 331.460 2.918 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC2CC([NH+]3CCCCC3)C2)C1 ZINC000496437445 315066691 /nfs/dbraw/zinc/06/66/91/315066691.db2.gz ROLQJFQEFCPSGQ-FLAIETJXSA-N 1 3 349.519 2.850 20 0 EFADHO NC(=O)OC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000496439791 315067532 /nfs/dbraw/zinc/06/75/32/315067532.db2.gz OUZRHHMPLATXPJ-GOSISDBHSA-N 1 3 331.460 2.571 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496451052 315070354 /nfs/dbraw/zinc/07/03/54/315070354.db2.gz FEIICWYCVBQEPX-BXWFABGCSA-N 1 3 337.508 2.517 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496451052 315070356 /nfs/dbraw/zinc/07/03/56/315070356.db2.gz FEIICWYCVBQEPX-BXWFABGCSA-N 1 3 337.508 2.517 20 0 EFADHO C[NH2+]C[C@@H]1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561306 315110864 /nfs/dbraw/zinc/11/08/64/315110864.db2.gz FYCDFYHJWXPLOK-IBGZPJMESA-N 1 3 345.487 2.577 20 0 EFADHO CNC[C@@H]1CC[N@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561306 315110867 /nfs/dbraw/zinc/11/08/67/315110867.db2.gz FYCDFYHJWXPLOK-IBGZPJMESA-N 1 3 345.487 2.577 20 0 EFADHO CNC[C@@H]1CC[N@@H+](CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000496561306 315110870 /nfs/dbraw/zinc/11/08/70/315110870.db2.gz FYCDFYHJWXPLOK-IBGZPJMESA-N 1 3 345.487 2.577 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCCN1CC ZINC000496575737 315116855 /nfs/dbraw/zinc/11/68/55/315116855.db2.gz VHTPKUABJBXPLM-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577093 315117643 /nfs/dbraw/zinc/11/76/43/315117643.db2.gz HAGWCHISBFIYHO-CAOSSQGBSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577093 315117646 /nfs/dbraw/zinc/11/76/46/315117646.db2.gz HAGWCHISBFIYHO-CAOSSQGBSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000496594224 315123645 /nfs/dbraw/zinc/12/36/45/315123645.db2.gz FXDXBVSZNWHURS-SJORKVTESA-N 1 3 331.460 2.629 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CCCNC2)CC1 ZINC000496594221 315123909 /nfs/dbraw/zinc/12/39/09/315123909.db2.gz FXDXBVSZNWHURS-DLBZAZTESA-N 1 3 331.460 2.629 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CCCNC2)CC1 ZINC000496594223 315123965 /nfs/dbraw/zinc/12/39/65/315123965.db2.gz FXDXBVSZNWHURS-IRXDYDNUSA-N 1 3 331.460 2.629 20 0 EFADHO CN1CCC2(CCC[N@@H+]2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496699765 315162665 /nfs/dbraw/zinc/16/26/65/315162665.db2.gz HKUZOADLVHLMAE-APWZRJJASA-N 1 3 349.519 2.804 20 0 EFADHO CN1CCC2(CCC[N@H+]2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496699765 315162668 /nfs/dbraw/zinc/16/26/68/315162668.db2.gz HKUZOADLVHLMAE-APWZRJJASA-N 1 3 349.519 2.804 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752957 315182627 /nfs/dbraw/zinc/18/26/27/315182627.db2.gz AKZJSJYKJRNTMW-ARFHVFGLSA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752957 315182628 /nfs/dbraw/zinc/18/26/28/315182628.db2.gz AKZJSJYKJRNTMW-ARFHVFGLSA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752959 315182687 /nfs/dbraw/zinc/18/26/87/315182687.db2.gz AKZJSJYKJRNTMW-HRCADAONSA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752959 315182690 /nfs/dbraw/zinc/18/26/90/315182690.db2.gz AKZJSJYKJRNTMW-HRCADAONSA-N 1 3 327.513 2.998 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CN(C)C ZINC000496833674 315213255 /nfs/dbraw/zinc/21/32/55/315213255.db2.gz ADESGFZDDNGXPM-PMPSAXMXSA-N 1 3 327.513 2.809 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496861198 315223319 /nfs/dbraw/zinc/22/33/19/315223319.db2.gz ZSTATALWARFJOV-ZZCKCESHSA-N 1 3 331.460 2.978 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000496861196 315223388 /nfs/dbraw/zinc/22/33/88/315223388.db2.gz ZSTATALWARFJOV-LBTBCDHLSA-N 1 3 331.460 2.978 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC000496986251 315267753 /nfs/dbraw/zinc/26/77/53/315267753.db2.gz OLXZDMJNMFGJEZ-CVEARBPZSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000496986251 315267756 /nfs/dbraw/zinc/26/77/56/315267756.db2.gz OLXZDMJNMFGJEZ-CVEARBPZSA-N 1 3 335.492 2.602 20 0 EFADHO CCN(CCC[NH+](C)C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000497153861 315330195 /nfs/dbraw/zinc/33/01/95/315330195.db2.gz OZFDQNDCXZVZHV-CRAIPNDOSA-N 1 3 325.497 2.517 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000501931648 315430736 /nfs/dbraw/zinc/43/07/36/315430736.db2.gz VSOZDVZSGKAJEM-FXAWDEMLSA-N 1 3 343.515 2.854 20 0 EFADHO CC[NH+](CC)CC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000507216127 315479185 /nfs/dbraw/zinc/47/91/85/315479185.db2.gz UOLNPKCQDOAHLA-UHFFFAOYSA-N 1 3 331.460 2.685 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@](C)(C[NH3+])C2)N2CCCC2)cc1 ZINC000515143106 315595501 /nfs/dbraw/zinc/59/55/01/315595501.db2.gz PSRYXSJWBVPYOW-UYAOXDASSA-N 1 3 344.503 2.512 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N2CCCC2)cc1 ZINC000515143105 315595890 /nfs/dbraw/zinc/59/58/90/315595890.db2.gz PSRYXSJWBVPYOW-QUCCMNQESA-N 1 3 344.503 2.512 20 0 EFADHO C[C@@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517223296 315747252 /nfs/dbraw/zinc/74/72/52/315747252.db2.gz FGLPHKFGISMZPZ-DOTOQJQBSA-N 1 3 346.471 2.584 20 0 EFADHO C[C@H](NC[C@H]1CSCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000517229712 315747508 /nfs/dbraw/zinc/74/75/08/315747508.db2.gz IOKXJRNRWVJDBS-WDSOQIARSA-N 1 3 333.545 2.582 20 0 EFADHO Cc1c([C@H](C)NCC[C@@H]2CC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000517229801 315747867 /nfs/dbraw/zinc/74/78/67/315747867.db2.gz OXLHLHGORADNEG-JSGCOSHPSA-N 1 3 333.867 2.879 20 0 EFADHO CC(C)Oc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000519596769 315878726 /nfs/dbraw/zinc/87/87/26/315878726.db2.gz WONKBKBJORCQND-VAMGGRTRSA-N 1 3 332.488 2.763 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CNCc2ccccc21 ZINC000521431284 316023240 /nfs/dbraw/zinc/02/32/40/316023240.db2.gz NTSSRGDXSJWIKH-HXUWFJFHSA-N 1 3 341.499 2.644 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000521862567 316047634 /nfs/dbraw/zinc/04/76/34/316047634.db2.gz DFIZBOOIKIVQLB-GOSISDBHSA-N 1 3 334.504 2.896 20 0 EFADHO C[C@@H]1CCCC[C@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522109212 316071513 /nfs/dbraw/zinc/07/15/13/316071513.db2.gz VUKPZDSBWLYRHU-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C(C)(C)C ZINC000522604418 316093506 /nfs/dbraw/zinc/09/35/06/316093506.db2.gz OFFYXRMVQVEIBG-MRXNPFEDSA-N 1 3 340.556 2.869 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CCCN(C(C)(C)C)CC2)CC1 ZINC000523335921 316117400 /nfs/dbraw/zinc/11/74/00/316117400.db2.gz YYJSABROCLZHQA-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)CC1CCCCC1)C1CC1 ZINC000523482267 316125729 /nfs/dbraw/zinc/12/57/29/316125729.db2.gz ZYDCWERLGULECE-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)CC1CCCCC1)C1CC1 ZINC000523482267 316125731 /nfs/dbraw/zinc/12/57/31/316125731.db2.gz ZYDCWERLGULECE-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000524263695 316151882 /nfs/dbraw/zinc/15/18/82/316151882.db2.gz RYGDEMMKTZXNHD-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000524263695 316151884 /nfs/dbraw/zinc/15/18/84/316151884.db2.gz RYGDEMMKTZXNHD-MJGOQNOKSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000526057275 316284312 /nfs/dbraw/zinc/28/43/12/316284312.db2.gz DTYSRTGBSXGXIR-UHFFFAOYSA-N 1 3 328.394 2.956 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000526057275 316284315 /nfs/dbraw/zinc/28/43/15/316284315.db2.gz DTYSRTGBSXGXIR-UHFFFAOYSA-N 1 3 328.394 2.956 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527909081 316493440 /nfs/dbraw/zinc/49/34/40/316493440.db2.gz OQFICTLQTQAJGW-BEFAXECRSA-N 1 3 341.499 2.662 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1CC12CC2 ZINC000527909085 316493500 /nfs/dbraw/zinc/49/35/00/316493500.db2.gz OQFICTLQTQAJGW-KXBFYZLASA-N 1 3 341.499 2.662 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530028215 317030840 /nfs/dbraw/zinc/03/08/40/317030840.db2.gz PSJZCUVUMOKQCR-UYAOXDASSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530028215 317030843 /nfs/dbraw/zinc/03/08/43/317030843.db2.gz PSJZCUVUMOKQCR-UYAOXDASSA-N 1 3 341.499 2.642 20 0 EFADHO Fc1ccc(CCN2CCC(N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530178640 317071678 /nfs/dbraw/zinc/07/16/78/317071678.db2.gz PIOJOVCSWAYOJU-LJQANCHMSA-N 1 3 331.479 2.707 20 0 EFADHO COCCC1CCN([C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000530212058 317081080 /nfs/dbraw/zinc/08/10/80/317081080.db2.gz OEKDIJBUWZBVIB-QUCCMNQESA-N 1 3 330.472 2.991 20 0 EFADHO C[C@H]([C@H]1CC[NH2+]C1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530213714 317082409 /nfs/dbraw/zinc/08/24/09/317082409.db2.gz VPLXIZCQAZARTC-PBHICJAKSA-N 1 3 332.492 2.980 20 0 EFADHO Cn1cc2ccc(CN[C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc2n1 ZINC000530216298 317083070 /nfs/dbraw/zinc/08/30/70/317083070.db2.gz AFWFXWMOQFAUQJ-PZJWPPBQSA-N 1 3 348.450 2.919 20 0 EFADHO CO[C@H](CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000530224967 317084979 /nfs/dbraw/zinc/08/49/79/317084979.db2.gz NJHLGTRSQPSYRL-IPMKNSEASA-N 1 3 336.451 2.732 20 0 EFADHO CC1(C)Cc2cccc(CN3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2O1 ZINC000530249339 317091315 /nfs/dbraw/zinc/09/13/15/317091315.db2.gz WASVYLDOQBKQTE-LJQANCHMSA-N 1 3 344.499 2.991 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249070 317091614 /nfs/dbraw/zinc/09/16/14/317091614.db2.gz TWUQQRDWVYIVAM-SFHVURJKSA-N 1 3 341.455 2.531 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000530407266 317122243 /nfs/dbraw/zinc/12/22/43/317122243.db2.gz JMXCRXQFGUEVEI-HLAWJBBLSA-N 1 3 338.499 2.853 20 0 EFADHO Cc1cc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(C)cc1Cl ZINC000530434139 317126438 /nfs/dbraw/zinc/12/64/38/317126438.db2.gz PAAIMOQSANVRHN-UHFFFAOYSA-N 1 3 325.884 2.522 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCN2CCCC2=O)CC1 ZINC000532165056 317364563 /nfs/dbraw/zinc/36/45/63/317364563.db2.gz PSKTVKSWMNQOPW-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCN2CCCC2=O)CC1 ZINC000532165056 317364565 /nfs/dbraw/zinc/36/45/65/317364565.db2.gz PSKTVKSWMNQOPW-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000549040886 318162274 /nfs/dbraw/zinc/16/22/74/318162274.db2.gz LOWDEZZRETXPCE-XUVXKRRUSA-N 1 3 341.499 2.790 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000551005278 318200389 /nfs/dbraw/zinc/20/03/89/318200389.db2.gz GHSNAZPAKYQYQM-IBGZPJMESA-N 1 3 347.503 2.542 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000551030102 318200739 /nfs/dbraw/zinc/20/07/39/318200739.db2.gz WLDYYOLLWIRKMC-LJQANCHMSA-N 1 3 340.467 2.763 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000551572554 318210166 /nfs/dbraw/zinc/21/01/66/318210166.db2.gz VGBWWDFYYBJDAF-UZLBHIALSA-N 1 3 344.499 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000551572552 318210253 /nfs/dbraw/zinc/21/02/53/318210253.db2.gz VGBWWDFYYBJDAF-OXJNMPFZSA-N 1 3 344.499 2.871 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000552032700 318238846 /nfs/dbraw/zinc/23/88/46/318238846.db2.gz FBEGHXJRMMSZBP-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061262 318269570 /nfs/dbraw/zinc/26/95/70/318269570.db2.gz XFQMHXOWMUNDCL-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061262 318269571 /nfs/dbraw/zinc/26/95/71/318269571.db2.gz XFQMHXOWMUNDCL-ICSRJNTNSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553127437 318271636 /nfs/dbraw/zinc/27/16/36/318271636.db2.gz HHBVHCHRNMLYQM-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553127437 318271639 /nfs/dbraw/zinc/27/16/39/318271639.db2.gz HHBVHCHRNMLYQM-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000553158166 318272687 /nfs/dbraw/zinc/27/26/87/318272687.db2.gz NZBIKGVUODCFDB-PXNSSMCTSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497932 318285363 /nfs/dbraw/zinc/28/53/63/318285363.db2.gz XKZDSBBHTAYIRJ-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497932 318285365 /nfs/dbraw/zinc/28/53/65/318285365.db2.gz XKZDSBBHTAYIRJ-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C ZINC000554216298 318303934 /nfs/dbraw/zinc/30/39/34/318303934.db2.gz CQNCXJSNHBOLCI-SJLPKXTDSA-N 1 3 334.508 2.627 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000554216293 318304018 /nfs/dbraw/zinc/30/40/18/318304018.db2.gz CQNCXJSNHBOLCI-AEFFLSMTSA-N 1 3 334.508 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000554485282 318315636 /nfs/dbraw/zinc/31/56/36/318315636.db2.gz QBWJWWYJPUCCIK-SCTDSRPQSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000554485282 318315638 /nfs/dbraw/zinc/31/56/38/318315638.db2.gz QBWJWWYJPUCCIK-SCTDSRPQSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1OCCN(C)C ZINC000554885602 318338942 /nfs/dbraw/zinc/33/89/42/318338942.db2.gz CIYYFGCHZFIHOV-MRXNPFEDSA-N 1 3 343.471 2.839 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)cc2)no1 ZINC000554888317 318339419 /nfs/dbraw/zinc/33/94/19/318339419.db2.gz BVWOQWWQIBFGQG-KSSFIOAISA-N 1 3 344.459 2.729 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@H]3CC[N@H+](C)C[C@@H]3C)cc2)no1 ZINC000554888317 318339422 /nfs/dbraw/zinc/33/94/22/318339422.db2.gz BVWOQWWQIBFGQG-KSSFIOAISA-N 1 3 344.459 2.729 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1CCCCC1 ZINC000555536051 318359528 /nfs/dbraw/zinc/35/95/28/318359528.db2.gz UGSLHBFCCMOWRZ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1CCCCC1 ZINC000555536051 318359531 /nfs/dbraw/zinc/35/95/31/318359531.db2.gz UGSLHBFCCMOWRZ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556584539 318394231 /nfs/dbraw/zinc/39/42/31/318394231.db2.gz WJRGARKQGZUFKX-VQTJNVASSA-N 1 3 345.531 2.850 20 0 EFADHO CN1CCC(C[NH2+]C[C@@H]2CCCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000560896788 318580422 /nfs/dbraw/zinc/58/04/22/318580422.db2.gz WGTQMYPHSDCRLV-GOSISDBHSA-N 1 3 337.552 2.589 20 0 EFADHO COc1cc(OC)c([C@@H](C)NCCOCC[NH+](C)C)cc1Cl ZINC000562498558 318654958 /nfs/dbraw/zinc/65/49/58/318654958.db2.gz ABQGEYIHJXCKMJ-GFCCVEGCSA-N 1 3 330.856 2.586 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563561384 318797324 /nfs/dbraw/zinc/79/73/24/318797324.db2.gz HTCKEKBHZRHNCE-NEWSRXKRSA-N 1 3 344.503 2.559 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@H]3CCC[C@@H](N)C3)CCOCC2)cc1 ZINC000565225580 318949205 /nfs/dbraw/zinc/94/92/05/318949205.db2.gz FZTUCUVCGVBPFE-MSOLQXFVSA-N 1 3 332.488 2.993 20 0 EFADHO COc1ccccc1OCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000565643319 318989043 /nfs/dbraw/zinc/98/90/43/318989043.db2.gz VXYFJCXRPDVTGU-UHFFFAOYSA-N 1 3 327.428 2.728 20 0 EFADHO FC(F)Oc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000565827633 319006497 /nfs/dbraw/zinc/00/64/97/319006497.db2.gz QGYQTPNTIUILJF-YESZJQIVSA-N 1 3 340.414 2.577 20 0 EFADHO c1ncn(-c2cccc(CN[C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)c2)n1 ZINC000565939175 319016510 /nfs/dbraw/zinc/01/65/10/319016510.db2.gz WQNFLMWIMUXUGI-UYAOXDASSA-N 1 3 333.439 2.850 20 0 EFADHO CCOc1c(Cl)cccc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000566044907 319025264 /nfs/dbraw/zinc/02/52/64/319025264.db2.gz NOLOEBQQZIFRRQ-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000566105893 319032844 /nfs/dbraw/zinc/03/28/44/319032844.db2.gz AHTIXMOFNZFKOX-YLJYHZDGSA-N 1 3 334.504 2.796 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000566105893 319032847 /nfs/dbraw/zinc/03/28/47/319032847.db2.gz AHTIXMOFNZFKOX-YLJYHZDGSA-N 1 3 334.504 2.796 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2cccs2)C1 ZINC000566116154 319035042 /nfs/dbraw/zinc/03/50/42/319035042.db2.gz UNJNLDWBYCOKKT-SJORKVTESA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2cccs2)C1 ZINC000566116154 319035043 /nfs/dbraw/zinc/03/50/43/319035043.db2.gz UNJNLDWBYCOKKT-SJORKVTESA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000566116154 319035045 /nfs/dbraw/zinc/03/50/45/319035045.db2.gz UNJNLDWBYCOKKT-SJORKVTESA-N 1 3 340.533 2.583 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000566296103 319059302 /nfs/dbraw/zinc/05/93/02/319059302.db2.gz PNYPVIXTYGSTAG-BBWFWOEESA-N 1 3 331.504 2.572 20 0 EFADHO Fc1cccc([C@H]2CNCCN2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000566351483 319065431 /nfs/dbraw/zinc/06/54/31/319065431.db2.gz LMZOEIBPQWCPPC-HXUWFJFHSA-N 1 3 325.431 2.618 20 0 EFADHO CCC1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000566440055 319076714 /nfs/dbraw/zinc/07/67/14/319076714.db2.gz WJTYONNHZHWBBA-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](C(=O)NCCC[NH2+]C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000566799963 319112115 /nfs/dbraw/zinc/11/21/15/319112115.db2.gz PLYMFQLZEIPYQN-KRWDZBQOSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H](N)c1ccccc1 ZINC000566845607 319115398 /nfs/dbraw/zinc/11/53/98/319115398.db2.gz FIAJCEKRYZDHJA-BLLLJJGKSA-N 1 3 344.484 2.885 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(CC[NH3+])CC1 ZINC000566919420 319122241 /nfs/dbraw/zinc/12/22/41/319122241.db2.gz RWEXNRHGLZJENQ-RRCMXIFQSA-N 1 3 333.520 2.521 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000567045310 319133398 /nfs/dbraw/zinc/13/33/98/319133398.db2.gz CUZYTLQGOCCMBT-SFHVURJKSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2cccc3c2CCNC3)CC[N@@H+](C2CCC2)C1 ZINC000567094507 319137451 /nfs/dbraw/zinc/13/74/51/319137451.db2.gz CJNVGGCCDCRFHG-HNNXBMFYSA-N 1 3 342.487 2.670 20 0 EFADHO C[C@@H]1CN(C(=O)Nc2cccc3c2CCNC3)CC[N@H+](C2CCC2)C1 ZINC000567094507 319137453 /nfs/dbraw/zinc/13/74/53/319137453.db2.gz CJNVGGCCDCRFHG-HNNXBMFYSA-N 1 3 342.487 2.670 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000567143163 319142719 /nfs/dbraw/zinc/14/27/19/319142719.db2.gz JRMBTOUFOABYLL-ICSRJNTNSA-N 1 3 340.471 2.591 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567345346 319162538 /nfs/dbraw/zinc/16/25/38/319162538.db2.gz DQYMQBCKJGPTQZ-HKUYNNGSSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000567660129 319193019 /nfs/dbraw/zinc/19/30/19/319193019.db2.gz GRJMZPHHBZCCNY-QXAKKESOSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1cc2ncn(C[C@@H](O)CN[C@@H](C)C(C)(C)C[NH+](C)C)c2cc1C ZINC000567689386 319197988 /nfs/dbraw/zinc/19/79/88/319197988.db2.gz JGLDPSMLJAYFSX-IRXDYDNUSA-N 1 3 346.519 2.580 20 0 EFADHO CCC(CC)[C@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+](C)C ZINC000567867964 319219957 /nfs/dbraw/zinc/21/99/57/319219957.db2.gz AKCZCTCRWZTTJW-SFHVURJKSA-N 1 3 332.492 2.820 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCCCC[NH2+]1 ZINC000567965561 319231221 /nfs/dbraw/zinc/23/12/21/319231221.db2.gz OSEQGUIZYAMTFU-RDJZCZTQSA-N 1 3 335.517 2.609 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCCCC[NH2+]1 ZINC000567965559 319231235 /nfs/dbraw/zinc/23/12/35/319231235.db2.gz OSEQGUIZYAMTFU-DOTOQJQBSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052173 319241200 /nfs/dbraw/zinc/24/12/00/319241200.db2.gz PSEPKTRRCKCWAM-GPMSIDNRSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052173 319241201 /nfs/dbraw/zinc/24/12/01/319241201.db2.gz PSEPKTRRCKCWAM-GPMSIDNRSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052172 319241249 /nfs/dbraw/zinc/24/12/49/319241249.db2.gz PSEPKTRRCKCWAM-GJYPPUQNSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000568052172 319241251 /nfs/dbraw/zinc/24/12/51/319241251.db2.gz PSEPKTRRCKCWAM-GJYPPUQNSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c(C)c1 ZINC000568078230 319244453 /nfs/dbraw/zinc/24/44/53/319244453.db2.gz KHVWBJALHRLXQW-GOSISDBHSA-N 1 3 334.504 2.755 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(C)C)C1 ZINC000568383853 319278227 /nfs/dbraw/zinc/27/82/27/319278227.db2.gz MGLAKYCBVOUATM-MOPGFXCFSA-N 1 3 334.504 2.753 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]1CNCc2ccccc21 ZINC000568512849 319291508 /nfs/dbraw/zinc/29/15/08/319291508.db2.gz NINVLYKAAGASBI-IBGZPJMESA-N 1 3 329.488 2.596 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CNCc2ccccc21 ZINC000568512849 319291511 /nfs/dbraw/zinc/29/15/11/319291511.db2.gz NINVLYKAAGASBI-IBGZPJMESA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccc(SCC[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000568739911 319313661 /nfs/dbraw/zinc/31/36/61/319313661.db2.gz YFDFYNMFXFWJKN-KRWDZBQOSA-N 1 3 345.516 2.783 20 0 EFADHO Cc1ccc(SCC[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1C ZINC000568739911 319313662 /nfs/dbraw/zinc/31/36/62/319313662.db2.gz YFDFYNMFXFWJKN-KRWDZBQOSA-N 1 3 345.516 2.783 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568974031 319335591 /nfs/dbraw/zinc/33/55/91/319335591.db2.gz XYIWMHPQSKRHIY-WDSOQIARSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979363 319336636 /nfs/dbraw/zinc/33/66/36/319336636.db2.gz HFHRPUZKAHLHFS-XFKSJGNHSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979363 319336638 /nfs/dbraw/zinc/33/66/38/319336638.db2.gz HFHRPUZKAHLHFS-XFKSJGNHSA-N 1 3 347.547 2.830 20 0 EFADHO COc1cccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1OC ZINC000568987615 319337837 /nfs/dbraw/zinc/33/78/37/319337837.db2.gz DZJMXPBEFAINJB-YJBOKZPZSA-N 1 3 328.456 2.794 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000569110094 319349302 /nfs/dbraw/zinc/34/93/02/319349302.db2.gz DWDCOWGGKARTNL-DLBZAZTESA-N 1 3 345.487 2.618 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000569137754 319352200 /nfs/dbraw/zinc/35/22/00/319352200.db2.gz LDRYRVHYABEJGJ-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000569232306 319361389 /nfs/dbraw/zinc/36/13/89/319361389.db2.gz SOGPWMFSOBTFCY-SFHVURJKSA-N 1 3 334.504 2.700 20 0 EFADHO O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000569376198 319375490 /nfs/dbraw/zinc/37/54/90/319375490.db2.gz QSTQHUFGQKRHHZ-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000569376198 319375493 /nfs/dbraw/zinc/37/54/93/319375493.db2.gz QSTQHUFGQKRHHZ-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000569476557 319384653 /nfs/dbraw/zinc/38/46/53/319384653.db2.gz XXNJEOMBQLBARA-LBPRGKRZSA-N 1 3 331.382 2.964 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)N1CCCCC1 ZINC000569594211 319395826 /nfs/dbraw/zinc/39/58/26/319395826.db2.gz GERJDIRUTIMZPF-IRXDYDNUSA-N 1 3 345.487 2.762 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H](N)CC(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000570713395 319506217 /nfs/dbraw/zinc/50/62/17/319506217.db2.gz MSTIEPGGGCOLMT-NUEKZKHPSA-N 1 3 341.446 2.851 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000570941451 319527879 /nfs/dbraw/zinc/52/78/79/319527879.db2.gz ZSUPZMSOIYNLPW-UHFFFAOYSA-N 1 3 346.519 2.647 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000571863417 319612628 /nfs/dbraw/zinc/61/26/28/319612628.db2.gz LZDSKKNLAXBNLZ-UHFFFAOYSA-N 1 3 344.503 2.918 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000572015493 319629559 /nfs/dbraw/zinc/62/95/59/319629559.db2.gz PIYPUDZNEZCLFD-UHFFFAOYSA-N 1 3 326.488 2.816 20 0 EFADHO [NH3+]CCC1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000573379337 319760579 /nfs/dbraw/zinc/76/05/79/319760579.db2.gz CRSLGFPZUTZBDB-LJQANCHMSA-N 1 3 329.488 2.801 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N([C@@H](C)C3CC3)C3CC3)CC2)CC1 ZINC000576289590 320002418 /nfs/dbraw/zinc/00/24/18/320002418.db2.gz JBRSHAKGEVMTAU-INIZCTEOSA-N 1 3 347.547 2.972 20 0 EFADHO C[N@H+](CCCNCCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000576339338 320006896 /nfs/dbraw/zinc/00/68/96/320006896.db2.gz JQRJEUATADBGRV-UHFFFAOYSA-N 1 3 326.444 2.522 20 0 EFADHO C[N@@H+](CCCNCCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000576339338 320006899 /nfs/dbraw/zinc/00/68/99/320006899.db2.gz JQRJEUATADBGRV-UHFFFAOYSA-N 1 3 326.444 2.522 20 0 EFADHO CC(C)[NH2+]CCC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000576634809 320034123 /nfs/dbraw/zinc/03/41/23/320034123.db2.gz JVFWCXDKTUMQES-UHFFFAOYSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000576634152 320034132 /nfs/dbraw/zinc/03/41/32/320034132.db2.gz SUZBXIPVOYHMGV-JKSUJKDBSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000576634152 320034133 /nfs/dbraw/zinc/03/41/33/320034133.db2.gz SUZBXIPVOYHMGV-JKSUJKDBSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000576714478 320042047 /nfs/dbraw/zinc/04/20/47/320042047.db2.gz APPBFGXFKOXSFY-QFBILLFUSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CC[NH2+]C2CC2)CCN1Cc1ccccc1 ZINC000576714476 320042063 /nfs/dbraw/zinc/04/20/63/320042063.db2.gz APPBFGXFKOXSFY-LPHOPBHVSA-N 1 3 329.488 2.640 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC(C)(C)C(C)C)CC2)CC1 ZINC000576764382 320047065 /nfs/dbraw/zinc/04/70/65/320047065.db2.gz CJIJIOOPNLTGJK-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CSc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000576782806 320048271 /nfs/dbraw/zinc/04/82/71/320048271.db2.gz OLGVAPZCWGCGQZ-KRWDZBQOSA-N 1 3 337.533 2.859 20 0 EFADHO CC(C)(CNC(=O)N1CCCN(C(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000577440761 320109754 /nfs/dbraw/zinc/10/97/54/320109754.db2.gz JTOADUPWWXBMLZ-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000577592918 320124771 /nfs/dbraw/zinc/12/47/71/320124771.db2.gz AZRKLSHGTYXGNG-MOPGFXCFSA-N 1 3 325.456 2.845 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622127 320128589 /nfs/dbraw/zinc/12/85/89/320128589.db2.gz WCQBTUYRXAQBFN-BBRMVZONSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622127 320128590 /nfs/dbraw/zinc/12/85/90/320128590.db2.gz WCQBTUYRXAQBFN-BBRMVZONSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccccc1C(F)(F)F ZINC000577622127 320128592 /nfs/dbraw/zinc/12/85/92/320128592.db2.gz WCQBTUYRXAQBFN-BBRMVZONSA-N 1 3 342.405 2.683 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCNC(=O)NC(C)C)CC1 ZINC000577628658 320129613 /nfs/dbraw/zinc/12/96/13/320129613.db2.gz RURIXBTXPKCCOQ-UHFFFAOYSA-N 1 3 326.529 2.528 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H](C)C3(C)CC3)CC2)CC1 ZINC000577862552 320152402 /nfs/dbraw/zinc/15/24/02/320152402.db2.gz AYJRASPASJUDEB-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000578224257 320185888 /nfs/dbraw/zinc/18/58/88/320185888.db2.gz DESYSSQANIWQMP-NEPJUHHUSA-N 1 3 331.382 2.868 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000578407309 320202473 /nfs/dbraw/zinc/20/24/73/320202473.db2.gz QFRHMAAEYLYUBZ-SFHVURJKSA-N 1 3 331.504 2.688 20 0 EFADHO CC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000578461633 320208645 /nfs/dbraw/zinc/20/86/45/320208645.db2.gz CARSZGKNCWTURJ-QFBILLFUSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000578500173 320211609 /nfs/dbraw/zinc/21/16/09/320211609.db2.gz OXXBZCNMSYOKDT-OALUTQOASA-N 1 3 334.504 2.897 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000578647865 320226140 /nfs/dbraw/zinc/22/61/40/320226140.db2.gz MEDUESAWGCXAIV-FQEVSTJZSA-N 1 3 345.531 2.821 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(CC)CC ZINC000181704706 323245660 /nfs/dbraw/zinc/24/56/60/323245660.db2.gz ZFXCDTSAVDOLFK-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182623119 323292456 /nfs/dbraw/zinc/29/24/56/323292456.db2.gz FNRHSCFIFJEFRA-GOSISDBHSA-N 1 3 341.503 2.673 20 0 EFADHO CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCCCN1CCCCC1 ZINC000182961355 323309425 /nfs/dbraw/zinc/30/94/25/323309425.db2.gz HFXIBGPEKXVXMJ-IRXDYDNUSA-N 1 3 330.538 2.588 20 0 EFADHO C[C@H](CCNC(=O)NCc1ccc(CN(C)C)cc1)[NH+]1CCCCC1 ZINC000184741513 323373293 /nfs/dbraw/zinc/37/32/93/323373293.db2.gz BJVSIZIPLZYRLC-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000387698612 323766086 /nfs/dbraw/zinc/76/60/86/323766086.db2.gz WSBCFPHKFINLJJ-QZTJIDSGSA-N 1 3 331.504 2.964 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000579088071 323880212 /nfs/dbraw/zinc/88/02/12/323880212.db2.gz SVKWOLDVQYZZOK-ICSRJNTNSA-N 1 3 340.471 2.795 20 0 EFADHO CCc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000579687209 324011212 /nfs/dbraw/zinc/01/12/12/324011212.db2.gz FSADMJKUWKNTBH-GBESFXJTSA-N 1 3 343.519 2.518 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000579689978 324011240 /nfs/dbraw/zinc/01/12/40/324011240.db2.gz COXMQGZWXFIQJW-KRWDZBQOSA-N 1 3 346.519 2.899 20 0 EFADHO COCC[N@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000579727708 324021590 /nfs/dbraw/zinc/02/15/90/324021590.db2.gz VGRIWRBTHDWOAC-SJORKVTESA-N 1 3 328.884 2.566 20 0 EFADHO COCC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000579727708 324021593 /nfs/dbraw/zinc/02/15/93/324021593.db2.gz VGRIWRBTHDWOAC-SJORKVTESA-N 1 3 328.884 2.566 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000579824963 324039141 /nfs/dbraw/zinc/03/91/41/324039141.db2.gz DWDKLQAIMAKPLQ-MOPGFXCFSA-N 1 3 334.504 2.897 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CNCc2ccccc21)CC(C)C ZINC000579833783 324041744 /nfs/dbraw/zinc/04/17/44/324041744.db2.gz HUPFQSRDXVALLH-HKUYNNGSSA-N 1 3 331.504 2.746 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000579941905 324062164 /nfs/dbraw/zinc/06/21/64/324062164.db2.gz LSZLOYWRCSBTND-GFOJFJKKSA-N 1 3 345.531 2.802 20 0 EFADHO COC[C@@]1(C[NH2+]C2CCN(CC3CC3)CC2)OCCc2ccccc21 ZINC000580015857 324075777 /nfs/dbraw/zinc/07/57/77/324075777.db2.gz FWJJMKZYPKOSAS-OAQYLSRUSA-N 1 3 344.499 2.565 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000580409223 324156637 /nfs/dbraw/zinc/15/66/37/324156637.db2.gz HJAYELZWWKSJKW-UYAOXDASSA-N 1 3 340.471 2.591 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCN(CC3CCC3)CC2)CCCCC1 ZINC000580526757 324180371 /nfs/dbraw/zinc/18/03/71/324180371.db2.gz YHWLMOWTBWDVCU-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NC1CC[NH2+]CC1 ZINC000580629456 324201137 /nfs/dbraw/zinc/20/11/37/324201137.db2.gz HHSFQWHFPMKQAY-LLVKDONJSA-N 1 3 329.366 2.764 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C1CCNCC1 ZINC000580629456 324201141 /nfs/dbraw/zinc/20/11/41/324201141.db2.gz HHSFQWHFPMKQAY-LLVKDONJSA-N 1 3 329.366 2.764 20 0 EFADHO c1ccc(C[C@@H]2CC[C@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000580769166 324231229 /nfs/dbraw/zinc/23/12/29/324231229.db2.gz UZYFWANYDQESQA-WMZOPIPTSA-N 1 3 339.487 2.773 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000581072235 324299415 /nfs/dbraw/zinc/29/94/15/324299415.db2.gz WJSGTAWERVJNAT-SJORKVTESA-N 1 3 331.504 2.573 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000581071120 324299493 /nfs/dbraw/zinc/29/94/93/324299493.db2.gz LJVMTRYGECCGLD-RJFAQORQSA-N 1 3 333.520 2.519 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000581121175 324309025 /nfs/dbraw/zinc/30/90/25/324309025.db2.gz MMUWBZAKOFWPBJ-MRXNPFEDSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000581121174 324309045 /nfs/dbraw/zinc/30/90/45/324309045.db2.gz MMUWBZAKOFWPBJ-INIZCTEOSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc2ccccc2c1)C1=CCN(C)CC1 ZINC000581127262 324309873 /nfs/dbraw/zinc/30/98/73/324309873.db2.gz USSDEPBXIRKENV-OXJNMPFZSA-N 1 3 340.467 2.820 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231680 324331317 /nfs/dbraw/zinc/33/13/17/324331317.db2.gz AFHJVAHMEGHHBT-HOTGVXAUSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231680 324331319 /nfs/dbraw/zinc/33/13/19/324331319.db2.gz AFHJVAHMEGHHBT-HOTGVXAUSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231680 324331321 /nfs/dbraw/zinc/33/13/21/324331321.db2.gz AFHJVAHMEGHHBT-HOTGVXAUSA-N 1 3 338.517 2.514 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC000581380373 324365849 /nfs/dbraw/zinc/36/58/49/324365849.db2.gz RPYYCMVFUCXOKR-KURKYZTESA-N 1 3 337.895 2.573 20 0 EFADHO COc1cc2ccccc2cc1C[NH2+]CCCCN1CCN(C)CC1 ZINC000582162232 324531740 /nfs/dbraw/zinc/53/17/40/324531740.db2.gz BIWBBVRTWNJFRS-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](N)Cc1ccccc1 ZINC000582180120 324538516 /nfs/dbraw/zinc/53/85/16/324538516.db2.gz WZGMLMDIOLZEKQ-UFYCRDLUSA-N 1 3 345.531 2.963 20 0 EFADHO Cc1cccc(OC[C@H](O)CNCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000582601897 324629505 /nfs/dbraw/zinc/62/95/05/324629505.db2.gz ZFZFFICXVAGEBR-HXUWFJFHSA-N 1 3 342.483 2.629 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCc2c1cccc2Cl)N1CC[NH2+]CC1 ZINC000583019039 324721239 /nfs/dbraw/zinc/72/12/39/324721239.db2.gz YYVGYCJBBOJJQP-CABCVRRESA-N 1 3 347.812 2.753 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000137468895 473205932 /nfs/dbraw/zinc/20/59/32/473205932.db2.gz AGTSPIUVYWAYLO-FXAWDEMLSA-N 1 3 343.515 2.886 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000101975460 472559226 /nfs/dbraw/zinc/55/92/26/472559226.db2.gz GXFCFAUJYRKZAL-GOSISDBHSA-N 1 3 334.508 2.709 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000101975460 472559228 /nfs/dbraw/zinc/55/92/28/472559228.db2.gz GXFCFAUJYRKZAL-GOSISDBHSA-N 1 3 334.508 2.709 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000101979582 472560134 /nfs/dbraw/zinc/56/01/34/472560134.db2.gz DSLIAXWHIQKMSU-UHFFFAOYSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000101979582 472560139 /nfs/dbraw/zinc/56/01/39/472560139.db2.gz DSLIAXWHIQKMSU-UHFFFAOYSA-N 1 3 346.519 2.599 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000124217905 473220719 /nfs/dbraw/zinc/22/07/19/473220719.db2.gz APHWGMBFJVBZCV-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000124217905 473220725 /nfs/dbraw/zinc/22/07/25/473220725.db2.gz APHWGMBFJVBZCV-GOSISDBHSA-N 1 3 331.504 2.846 20 0 EFADHO Cc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000095957699 473230282 /nfs/dbraw/zinc/23/02/82/473230282.db2.gz QFJOSPRBTCKSTO-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000111874940 473232810 /nfs/dbraw/zinc/23/28/10/473232810.db2.gz IGIICQFCRKWHIC-QGZVFWFLSA-N 1 3 346.519 2.679 20 0 EFADHO C[NH+]1CCC(NC[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000095969348 473234484 /nfs/dbraw/zinc/23/44/84/473234484.db2.gz JUVCXDWFAVLLDI-OAQYLSRUSA-N 1 3 340.467 2.983 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000161631355 473249048 /nfs/dbraw/zinc/24/90/48/473249048.db2.gz RBTYYQFSFQICIT-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000161631355 473249050 /nfs/dbraw/zinc/24/90/50/473249050.db2.gz RBTYYQFSFQICIT-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC000171038627 473260754 /nfs/dbraw/zinc/26/07/54/473260754.db2.gz IQKSJZMVWLGLFZ-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]CC2=Cc3ccccc3OC2)C[C@@H](C)O1 ZINC000171051825 473264296 /nfs/dbraw/zinc/26/42/96/473264296.db2.gz AMTSHTWQXXQSGB-IAGOWNOFSA-N 1 3 330.472 2.941 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000171054510 473265249 /nfs/dbraw/zinc/26/52/49/473265249.db2.gz ZOPKQPHVJICXJE-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@H]3CCN(C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575408 473267315 /nfs/dbraw/zinc/26/73/15/473267315.db2.gz PQDPXAZUFIDHHH-WIRSXHRWSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575408 473267324 /nfs/dbraw/zinc/26/73/24/473267324.db2.gz PQDPXAZUFIDHHH-WIRSXHRWSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575408 473267332 /nfs/dbraw/zinc/26/73/32/473267332.db2.gz PQDPXAZUFIDHHH-WIRSXHRWSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC)N(C)C ZINC000124670884 473283385 /nfs/dbraw/zinc/28/33/85/473283385.db2.gz MVBJZDQJEDPVIZ-ROUUACIJSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000177051352 473294047 /nfs/dbraw/zinc/29/40/47/473294047.db2.gz QZUBYWUBUGOROD-UHFFFAOYSA-N 1 3 346.475 2.531 20 0 EFADHO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)Nc1ccccc1 ZINC000190527755 473307115 /nfs/dbraw/zinc/30/71/15/473307115.db2.gz VVQNHAOULAUYNP-LJQANCHMSA-N 1 3 338.455 2.914 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000124998541 473339037 /nfs/dbraw/zinc/33/90/37/473339037.db2.gz RKHFFSFIAIESGC-SFHVURJKSA-N 1 3 330.476 2.757 20 0 EFADHO Cc1ccc(NC(=O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)nc1 ZINC000124988944 473338077 /nfs/dbraw/zinc/33/80/77/473338077.db2.gz QCWVYDACYFPWPS-QGZVFWFLSA-N 1 3 330.476 2.525 20 0 EFADHO CN1CCC[C@H]1CC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125064004 473350594 /nfs/dbraw/zinc/35/05/94/473350594.db2.gz VCHKRNGFDVYTLX-IBGZPJMESA-N 1 3 330.520 2.505 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125064004 473350601 /nfs/dbraw/zinc/35/06/01/473350601.db2.gz VCHKRNGFDVYTLX-IBGZPJMESA-N 1 3 330.520 2.505 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2cccnc21 ZINC000177373764 473365267 /nfs/dbraw/zinc/36/52/67/473365267.db2.gz XPSJZZMSLPDUFT-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2cccnc21 ZINC000177373764 473365274 /nfs/dbraw/zinc/36/52/74/473365274.db2.gz XPSJZZMSLPDUFT-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC(C)(C)C ZINC000625325403 479867659 /nfs/dbraw/zinc/86/76/59/479867659.db2.gz IHRICERWCBVGJY-IAGOWNOFSA-N 1 3 345.531 2.895 20 0 EFADHO C[N@@H+]1CC[C@H](NCCC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340188857 475840446 /nfs/dbraw/zinc/84/04/46/475840446.db2.gz QLOLYLDCOKBHBO-RBUKOAKNSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+]1CC[C@H](NCCC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340188857 475840457 /nfs/dbraw/zinc/84/04/57/475840457.db2.gz QLOLYLDCOKBHBO-RBUKOAKNSA-N 1 3 329.488 2.814 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000388783079 476779651 /nfs/dbraw/zinc/77/96/51/476779651.db2.gz HGVKJHGYMFJHLI-XBFCOCLRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000388783079 476779658 /nfs/dbraw/zinc/77/96/58/476779658.db2.gz HGVKJHGYMFJHLI-XBFCOCLRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000388783066 476780506 /nfs/dbraw/zinc/78/05/06/476780506.db2.gz HGVKJHGYMFJHLI-BNOWGMLFSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000388783066 476780512 /nfs/dbraw/zinc/78/05/12/476780512.db2.gz HGVKJHGYMFJHLI-BNOWGMLFSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422799543 476781156 /nfs/dbraw/zinc/78/11/56/476781156.db2.gz XFIZOGNCYRQCEG-NKGKWGDASA-N 1 3 338.879 2.854 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422799544 476781852 /nfs/dbraw/zinc/78/18/52/476781852.db2.gz XFIZOGNCYRQCEG-XFKAJCMBSA-N 1 3 338.879 2.854 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798461 476781906 /nfs/dbraw/zinc/78/19/06/476781906.db2.gz RFBDJUADNOGVHN-BEFAXECRSA-N 1 3 346.496 2.897 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](O)COCc2ccccc2Cl)CC1 ZINC000395711169 476844517 /nfs/dbraw/zinc/84/45/17/476844517.db2.gz GQLBNLFTKQEPRT-KRWDZBQOSA-N 1 3 340.895 2.680 20 0 EFADHO C[C@@H]1C[C@H](C)N(C(=O)C2CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424081180 477284928 /nfs/dbraw/zinc/28/49/28/477284928.db2.gz WISDZGSZJOULGW-UWVAXJGDSA-N 1 3 343.515 2.730 20 0 EFADHO CC(C)O[C@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451496837 478052631 /nfs/dbraw/zinc/05/26/31/478052631.db2.gz KNFNKEZDRCGJJC-ROUUACIJSA-N 1 3 325.541 2.584 20 0 EFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC000451529270 478068466 /nfs/dbraw/zinc/06/84/66/478068466.db2.gz NCWVMHRRBWLNKQ-FQEVSTJZSA-N 1 3 333.520 2.753 20 0 EFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CC3=CCCCC3)C2)CC1 ZINC000451529270 478068471 /nfs/dbraw/zinc/06/84/71/478068471.db2.gz NCWVMHRRBWLNKQ-FQEVSTJZSA-N 1 3 333.520 2.753 20 0 EFADHO CC(C)(C(=O)NC[C@H]1NCCc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000565352886 478986453 /nfs/dbraw/zinc/98/64/53/478986453.db2.gz JJQZIFODFCGUNY-RTBURBONSA-N 1 3 337.467 2.716 20 0 EFADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC1(C)COC1 ZINC000628423866 479896795 /nfs/dbraw/zinc/89/67/95/479896795.db2.gz OALICFNBYDDVEF-UHFFFAOYSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000631196798 479953557 /nfs/dbraw/zinc/95/35/57/479953557.db2.gz VIVZPKMZKLONNX-APWZRJJASA-N 1 3 349.482 2.826 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[NH+](CC)CC ZINC000067380926 472026201 /nfs/dbraw/zinc/02/62/01/472026201.db2.gz WPOKBWPXWHLMJI-UHFFFAOYSA-N 1 3 334.508 2.622 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000067708009 472076989 /nfs/dbraw/zinc/07/69/89/472076989.db2.gz FAHLEMJXIOSZJX-PKOBYXMFSA-N 1 3 346.519 2.709 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000075860626 472208773 /nfs/dbraw/zinc/20/87/73/472208773.db2.gz FKVUPZCJADLGAB-KRWDZBQOSA-N 1 3 346.475 2.531 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000075860626 472208780 /nfs/dbraw/zinc/20/87/80/472208780.db2.gz FKVUPZCJADLGAB-KRWDZBQOSA-N 1 3 346.475 2.531 20 0 EFADHO C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000085365695 472240398 /nfs/dbraw/zinc/24/03/98/472240398.db2.gz IZAMANDQAKCUJH-WBVHZDCISA-N 1 3 334.508 2.565 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C)CC(C)C ZINC000085389450 472242393 /nfs/dbraw/zinc/24/23/93/472242393.db2.gz CDOLGGUMCRXHEI-OKZBNKHCSA-N 1 3 340.556 2.725 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000085400862 472243429 /nfs/dbraw/zinc/24/34/29/472243429.db2.gz MFTPNXNQYUCKDJ-LPHOPBHVSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000085400862 472243434 /nfs/dbraw/zinc/24/34/34/472243434.db2.gz MFTPNXNQYUCKDJ-LPHOPBHVSA-N 1 3 346.519 2.620 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000085422677 472246624 /nfs/dbraw/zinc/24/66/24/472246624.db2.gz VLGZXGDRCDREHH-QGZVFWFLSA-N 1 3 348.535 2.736 20 0 EFADHO C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000076042094 472247119 /nfs/dbraw/zinc/24/71/19/472247119.db2.gz HOXNJWOAHCZVHC-KRWDZBQOSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000076049199 472251728 /nfs/dbraw/zinc/25/17/28/472251728.db2.gz OBLONGLLOMLPBE-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000076076242 472262713 /nfs/dbraw/zinc/26/27/13/472262713.db2.gz XFTLHIXNXAYDHX-PKOBYXMFSA-N 1 3 338.540 2.623 20 0 EFADHO CCCCNC(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109980 472273422 /nfs/dbraw/zinc/27/34/22/472273422.db2.gz OFQMRNQMOQNHEA-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO CCCCNC(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109980 472273430 /nfs/dbraw/zinc/27/34/30/472273430.db2.gz OFQMRNQMOQNHEA-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110087 472274170 /nfs/dbraw/zinc/27/41/70/472274170.db2.gz WXJYQZCLSITJFO-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110087 472274176 /nfs/dbraw/zinc/27/41/76/472274176.db2.gz WXJYQZCLSITJFO-ICSRJNTNSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CCC(=O)N1CCCCC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109843 472274218 /nfs/dbraw/zinc/27/42/18/472274218.db2.gz ICGFCCHIISUWTC-FQEVSTJZSA-N 1 3 343.515 2.843 20 0 EFADHO CN(CCC(=O)N1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109843 472274221 /nfs/dbraw/zinc/27/42/21/472274221.db2.gz ICGFCCHIISUWTC-FQEVSTJZSA-N 1 3 343.515 2.843 20 0 EFADHO C[NH+](C)Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000044277135 472294821 /nfs/dbraw/zinc/29/48/21/472294821.db2.gz LHXHSFXOLKXTIY-UHFFFAOYSA-N 1 3 330.476 2.840 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523690 472332040 /nfs/dbraw/zinc/33/20/40/472332040.db2.gz IDOCTLJYYVNLDT-KRWDZBQOSA-N 1 3 331.504 2.697 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000088348702 472358147 /nfs/dbraw/zinc/35/81/47/472358147.db2.gz SBXOWSQXENNBKF-QGZVFWFLSA-N 1 3 347.503 2.824 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000088348702 472358155 /nfs/dbraw/zinc/35/81/55/472358155.db2.gz SBXOWSQXENNBKF-QGZVFWFLSA-N 1 3 347.503 2.824 20 0 EFADHO C[C@H](C1CC1)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076553175 472366068 /nfs/dbraw/zinc/36/60/68/472366068.db2.gz BMTZPYUKNHUKNJ-MRXNPFEDSA-N 1 3 329.488 2.629 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@@H](C)C2CC2)CC1 ZINC000076553147 472366817 /nfs/dbraw/zinc/36/68/17/472366817.db2.gz JTPSHTCEKGNSBZ-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@@H](C)C2CC2)CC1 ZINC000076553147 472366820 /nfs/dbraw/zinc/36/68/20/472366820.db2.gz JTPSHTCEKGNSBZ-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO CCN1CCN(c2ccccc2CNC[C@@H](C)[NH+](CC)CC)CC1 ZINC000088677307 472380145 /nfs/dbraw/zinc/38/01/45/472380145.db2.gz KAPIMUZHDLZZHR-GOSISDBHSA-N 1 3 332.536 2.648 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154175705 472397272 /nfs/dbraw/zinc/39/72/72/472397272.db2.gz CXWQZFDQADMOIB-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO c1coc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000069748077 472419973 /nfs/dbraw/zinc/41/99/73/472419973.db2.gz RHSAKBOOZJYEMZ-UHFFFAOYSA-N 1 3 327.472 2.967 20 0 EFADHO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc(Cl)c2)cc1 ZINC000076894065 472421133 /nfs/dbraw/zinc/42/11/33/472421133.db2.gz FFWINCDSUOAQMM-UHFFFAOYSA-N 1 3 345.874 2.921 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2c(c1)OCCO2 ZINC000154367682 472423751 /nfs/dbraw/zinc/42/37/51/472423751.db2.gz CGTJTTPXEIGYNO-SFHVURJKSA-N 1 3 347.503 2.526 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccccc1OC(F)F ZINC000154376841 472424986 /nfs/dbraw/zinc/42/49/86/472424986.db2.gz ZVECHRCCFLMPFM-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(OC)c(OC)c1 ZINC000154376630 472425274 /nfs/dbraw/zinc/42/52/74/472425274.db2.gz WAKJUQDURMNJOY-GOSISDBHSA-N 1 3 349.519 2.772 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000154420246 472432660 /nfs/dbraw/zinc/43/26/60/472432660.db2.gz XAWTXWDXFVTJLE-LJQANCHMSA-N 1 3 333.545 2.634 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1OC ZINC000089509218 472453004 /nfs/dbraw/zinc/45/30/04/472453004.db2.gz LDYFIIDOBAACSW-KSZLIROESA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1OC ZINC000089509218 472453011 /nfs/dbraw/zinc/45/30/11/472453011.db2.gz LDYFIIDOBAACSW-KSZLIROESA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509713 472453092 /nfs/dbraw/zinc/45/30/92/472453092.db2.gz RVSCFNDTEOAKOC-ATLSCFEFSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509713 472453100 /nfs/dbraw/zinc/45/31/00/472453100.db2.gz RVSCFNDTEOAKOC-ATLSCFEFSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)N(C)C)cc1OC ZINC000089509713 472453106 /nfs/dbraw/zinc/45/31/06/472453106.db2.gz RVSCFNDTEOAKOC-ATLSCFEFSA-N 1 3 349.519 2.625 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCCN(C(C)(C)C)CC1)C(C)C ZINC000057605894 472454191 /nfs/dbraw/zinc/45/41/91/472454191.db2.gz QUZYTPAOQMRNGN-UHFFFAOYSA-N 1 3 326.529 2.621 20 0 EFADHO CCC[N@H+](C)CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768353 479989838 /nfs/dbraw/zinc/98/98/38/479989838.db2.gz ZUNXYQDLFDQKNI-OAHLLOKOSA-N 1 3 345.409 2.766 20 0 EFADHO CCC[N@@H+](C)CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768353 479989841 /nfs/dbraw/zinc/98/98/41/479989841.db2.gz ZUNXYQDLFDQKNI-OAHLLOKOSA-N 1 3 345.409 2.766 20 0 EFADHO Cc1cc(F)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000097166040 472471411 /nfs/dbraw/zinc/47/14/11/472471411.db2.gz IUMAUZCYGNZQQD-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO C[N@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000089662649 472482270 /nfs/dbraw/zinc/48/22/70/472482270.db2.gz HJNJAAGFNQAVRM-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000089662649 472482274 /nfs/dbraw/zinc/48/22/74/472482274.db2.gz HJNJAAGFNQAVRM-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO C[NH+]1CCC(O)(CNCc2ccccc2OCc2ccccc2)CC1 ZINC000077450601 472530567 /nfs/dbraw/zinc/53/05/67/472530567.db2.gz DCDFUHIHQZDOHI-UHFFFAOYSA-N 1 3 340.467 2.812 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119146044 472531057 /nfs/dbraw/zinc/53/10/57/472531057.db2.gz UJFDRAOTZZSEFD-HZPDHXFCSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119146044 472531062 /nfs/dbraw/zinc/53/10/62/472531062.db2.gz UJFDRAOTZZSEFD-HZPDHXFCSA-N 1 3 336.524 2.565 20 0 EFADHO CC[C@H](c1ccc(Br)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000071148701 472544116 /nfs/dbraw/zinc/54/41/16/472544116.db2.gz ZUMQOKKOIKISDN-MRXNPFEDSA-N 1 3 340.309 2.737 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)c2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000101651893 472546669 /nfs/dbraw/zinc/54/66/69/472546669.db2.gz LSSKLXNKYHTZQM-OXJNMPFZSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)c2ccc(CN(C)C)cc2)([NH+](C)C)C1 ZINC000101651902 472546918 /nfs/dbraw/zinc/54/69/18/472546918.db2.gz LSSKLXNKYHTZQM-JXFKEZNVSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000119718541 472577665 /nfs/dbraw/zinc/57/76/65/472577665.db2.gz NKFUSYBFTFFGHN-UHFFFAOYSA-N 1 3 332.492 2.523 20 0 EFADHO CCc1cccc(CC)c1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119735506 472578417 /nfs/dbraw/zinc/57/84/17/472578417.db2.gz LDTRWPDFNGOVAI-UHFFFAOYSA-N 1 3 334.508 2.769 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000155633651 472584327 /nfs/dbraw/zinc/58/43/27/472584327.db2.gz NGBVHJRLVZFICN-LSDHHAIUSA-N 1 3 341.446 2.965 20 0 EFADHO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038549 472584671 /nfs/dbraw/zinc/58/46/71/472584671.db2.gz MXAXMLQYPMUTPA-MRXNPFEDSA-N 1 3 343.471 2.682 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000155687818 472596235 /nfs/dbraw/zinc/59/62/35/472596235.db2.gz VSEJMGJQBXCUBX-ROUUACIJSA-N 1 3 341.503 2.549 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)c1cccc(OC)c1 ZINC000119897571 472598563 /nfs/dbraw/zinc/59/85/63/472598563.db2.gz ANKXVPQOWWWMJC-QUCCMNQESA-N 1 3 347.503 2.584 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000155710529 472600735 /nfs/dbraw/zinc/60/07/35/472600735.db2.gz MPVJXBXBZLJPLV-APWZRJJASA-N 1 3 333.545 2.633 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729024 472604874 /nfs/dbraw/zinc/60/48/74/472604874.db2.gz RFRZNQXWYDBRMQ-ISARSNTHSA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729024 472604876 /nfs/dbraw/zinc/60/48/76/472604876.db2.gz RFRZNQXWYDBRMQ-ISARSNTHSA-N 1 3 331.504 2.871 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628744598 479999784 /nfs/dbraw/zinc/99/97/84/479999784.db2.gz HGNHJBXDUFKKCS-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000628744598 479999789 /nfs/dbraw/zinc/99/97/89/479999789.db2.gz HGNHJBXDUFKKCS-LJQANCHMSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000072041963 472629513 /nfs/dbraw/zinc/62/95/13/472629513.db2.gz OFRJTWJIASQEBT-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000072041963 472629518 /nfs/dbraw/zinc/62/95/18/472629518.db2.gz OFRJTWJIASQEBT-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155918651 472639932 /nfs/dbraw/zinc/63/99/32/472639932.db2.gz AQODUVLSVJVJSC-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155918651 472639937 /nfs/dbraw/zinc/63/99/37/472639937.db2.gz AQODUVLSVJVJSC-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000155957825 472646411 /nfs/dbraw/zinc/64/64/11/472646411.db2.gz QPHYMPIAJMBMFT-NMLBUPMWSA-N 1 3 339.568 2.833 20 0 EFADHO COC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000156085026 472663933 /nfs/dbraw/zinc/66/39/33/472663933.db2.gz FFWXAKXODGVPMX-FQEVSTJZSA-N 1 3 333.520 2.849 20 0 EFADHO COC[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C(C)C ZINC000156084902 472664429 /nfs/dbraw/zinc/66/44/29/472664429.db2.gz FFWXAKXODGVPMX-HXUWFJFHSA-N 1 3 333.520 2.849 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633797597 480002820 /nfs/dbraw/zinc/00/28/20/480002820.db2.gz LCQPHSWRINTPEO-YZGWKJHDSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633797597 480002827 /nfs/dbraw/zinc/00/28/27/480002827.db2.gz LCQPHSWRINTPEO-YZGWKJHDSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156366099 472697206 /nfs/dbraw/zinc/69/72/06/472697206.db2.gz BWAUSFTYKQZSOV-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156366225 472697891 /nfs/dbraw/zinc/69/78/91/472697891.db2.gz BWAUSFTYKQZSOV-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000105075381 472718375 /nfs/dbraw/zinc/71/83/75/472718375.db2.gz HEEPBVAFZQBVAX-OALUTQOASA-N 1 3 346.519 2.709 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000105083240 472720157 /nfs/dbraw/zinc/72/01/57/472720157.db2.gz OLBWQEVFBCZUNA-MOPGFXCFSA-N 1 3 346.519 2.587 20 0 EFADHO CN(C)CCN(C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000078503797 472725763 /nfs/dbraw/zinc/72/57/63/472725763.db2.gz QSEYBUDNEZQECY-UHFFFAOYSA-N 1 3 332.492 2.740 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000105129842 472725958 /nfs/dbraw/zinc/72/59/58/472725958.db2.gz LNEVTHSGRLVTFM-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CN1CCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000105129842 472725962 /nfs/dbraw/zinc/72/59/62/472725962.db2.gz LNEVTHSGRLVTFM-VQIMIIECSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198475 472733289 /nfs/dbraw/zinc/73/32/89/472733289.db2.gz PMNAZMNTZIWWBP-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCC(C)CC2)C1 ZINC000105198475 472733295 /nfs/dbraw/zinc/73/32/95/472733295.db2.gz PMNAZMNTZIWWBP-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000105266913 472738586 /nfs/dbraw/zinc/73/85/86/472738586.db2.gz PPLXAULENBGGMR-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000105266913 472738594 /nfs/dbraw/zinc/73/85/94/472738594.db2.gz PPLXAULENBGGMR-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000120790425 472748572 /nfs/dbraw/zinc/74/85/72/472748572.db2.gz WDHHBHIFDFWRHV-MRXNPFEDSA-N 1 3 325.497 2.850 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000631290548 480007321 /nfs/dbraw/zinc/00/73/21/480007321.db2.gz PEKSTEYAFZSMLN-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CC[N@H+]1C ZINC000631290548 480007324 /nfs/dbraw/zinc/00/73/24/480007324.db2.gz PEKSTEYAFZSMLN-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO COCC[N@H+](C)CCCN[C@H]1CCc2c1cccc2Br ZINC000091284913 472751652 /nfs/dbraw/zinc/75/16/52/472751652.db2.gz GAXKYXGSMNYNJN-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H]1CCc2c1cccc2Br ZINC000091284913 472751658 /nfs/dbraw/zinc/75/16/58/472751658.db2.gz GAXKYXGSMNYNJN-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000132769657 472752566 /nfs/dbraw/zinc/75/25/66/472752566.db2.gz HGJLYOHKYATPFS-UYAOXDASSA-N 1 3 332.488 2.548 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3C4CCCC3CCC4)CC2)CC1 ZINC000608423659 480007653 /nfs/dbraw/zinc/00/76/53/480007653.db2.gz LBXBHUXJAHGIIR-UHFFFAOYSA-N 1 3 348.535 2.662 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000120835632 472754772 /nfs/dbraw/zinc/75/47/72/472754772.db2.gz NCFLNGJFFMNYMA-HXUWFJFHSA-N 1 3 349.494 2.663 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CC[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000156929001 472768353 /nfs/dbraw/zinc/76/83/53/472768353.db2.gz HXILQMIWEZYYFM-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000133031408 472771418 /nfs/dbraw/zinc/77/14/18/472771418.db2.gz SGHGXUZSEKGBFK-QFBILLFUSA-N 1 3 330.472 2.991 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803316 480008807 /nfs/dbraw/zinc/00/88/07/480008807.db2.gz NDLQHDYWJQKZIO-PXNSSMCTSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CC1CCN(C)CC1 ZINC000633803316 480008813 /nfs/dbraw/zinc/00/88/13/480008813.db2.gz NDLQHDYWJQKZIO-PXNSSMCTSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000133150451 472777346 /nfs/dbraw/zinc/77/73/46/472777346.db2.gz UTXMXLOHKBJNJI-LSDHHAIUSA-N 1 3 332.444 2.567 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157082055 472784146 /nfs/dbraw/zinc/78/41/46/472784146.db2.gz OYBFPUJSHYBGSZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157082055 472784152 /nfs/dbraw/zinc/78/41/52/472784152.db2.gz OYBFPUJSHYBGSZ-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@H](CNC2CC[NH+](C)CC2)N2CCCCC2)cc1 ZINC000121068683 472794091 /nfs/dbraw/zinc/79/40/91/472794091.db2.gz OMDMBSPEEKHAAC-FQEVSTJZSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)cn2)C[C@H](C)O1 ZINC000157194450 472795670 /nfs/dbraw/zinc/79/56/70/472795670.db2.gz NOQITJROMKWIST-OYNZLANYSA-N 1 3 346.519 2.514 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000121171458 472810801 /nfs/dbraw/zinc/81/08/01/472810801.db2.gz YEVURQRZVWPKMP-RLLQIKCJSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000121171458 472810808 /nfs/dbraw/zinc/81/08/08/472810808.db2.gz YEVURQRZVWPKMP-RLLQIKCJSA-N 1 3 343.515 2.697 20 0 EFADHO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000063916131 472825251 /nfs/dbraw/zinc/82/52/51/472825251.db2.gz LREGTUBIXCLESA-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121290996 472830420 /nfs/dbraw/zinc/83/04/20/472830420.db2.gz YJBZRKFCCYXNHH-QRVBRYPASA-N 1 3 330.472 2.674 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000079265844 472839871 /nfs/dbraw/zinc/83/98/71/472839871.db2.gz DXKZOUSQGXQBBS-SQNIBIBYSA-N 1 3 336.524 2.519 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000073621174 472842392 /nfs/dbraw/zinc/84/23/92/472842392.db2.gz WXPFINHXMYHVRE-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000073621174 472842400 /nfs/dbraw/zinc/84/24/00/472842400.db2.gz WXPFINHXMYHVRE-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCCC[C@H]1C ZINC000073657771 472847590 /nfs/dbraw/zinc/84/75/90/472847590.db2.gz BIOKZNVJEVOXPA-SQNIBIBYSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCCC[C@H]1C ZINC000073657771 472847597 /nfs/dbraw/zinc/84/75/97/472847597.db2.gz BIOKZNVJEVOXPA-SQNIBIBYSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000106461003 472853669 /nfs/dbraw/zinc/85/36/69/472853669.db2.gz CQPRVFXEPUUNGR-RDJZCZTQSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000106461003 472853675 /nfs/dbraw/zinc/85/36/75/472853675.db2.gz CQPRVFXEPUUNGR-RDJZCZTQSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccsc1 ZINC000157742434 472854035 /nfs/dbraw/zinc/85/40/35/472854035.db2.gz BQLJUEGTPAQJLY-CQSZACIVSA-N 1 3 335.517 2.526 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000106521468 472858187 /nfs/dbraw/zinc/85/81/87/472858187.db2.gz XPZJZVBVRLXZKM-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106521468 472858194 /nfs/dbraw/zinc/85/81/94/472858194.db2.gz XPZJZVBVRLXZKM-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000079492144 472874224 /nfs/dbraw/zinc/87/42/24/472874224.db2.gz KNSGBKYQAOTTHB-QGZVFWFLSA-N 1 3 340.895 2.743 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1)N(C)C ZINC000106909190 472909837 /nfs/dbraw/zinc/90/98/37/472909837.db2.gz ONALLUOQIUIPTB-LJQANCHMSA-N 1 3 346.519 2.742 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1cccc(OC)c1 ZINC000134557232 472928291 /nfs/dbraw/zinc/92/82/91/472928291.db2.gz BWMLIJBBQYVVTF-ICSRJNTNSA-N 1 3 347.503 2.727 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@]1(CC)CCC[NH2+]1)c1cccc(OC)c1 ZINC000134557277 472928531 /nfs/dbraw/zinc/92/85/31/472928531.db2.gz BWMLIJBBQYVVTF-QUCCMNQESA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]1 ZINC000134586953 472933317 /nfs/dbraw/zinc/93/33/17/472933317.db2.gz BHJGAOYZXANGJH-LJQANCHMSA-N 1 3 347.528 2.749 20 0 EFADHO CC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134596662 472934830 /nfs/dbraw/zinc/93/48/30/472934830.db2.gz CUKNDNYHLRBTKE-OXJNMPFZSA-N 1 3 329.488 2.860 20 0 EFADHO CC[C@@]1(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134596687 472935410 /nfs/dbraw/zinc/93/54/10/472935410.db2.gz CUKNDNYHLRBTKE-JXFKEZNVSA-N 1 3 329.488 2.860 20 0 EFADHO CC[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CCC[NH2+]1 ZINC000134607240 472937054 /nfs/dbraw/zinc/93/70/54/472937054.db2.gz WNAUQSZJMUCSKU-FQEVSTJZSA-N 1 3 345.487 2.940 20 0 EFADHO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000092564978 472937051 /nfs/dbraw/zinc/93/70/51/472937051.db2.gz YDDKMYZXWBGTIA-SJORKVTESA-N 1 3 331.504 2.894 20 0 EFADHO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000092564979 472937121 /nfs/dbraw/zinc/93/71/21/472937121.db2.gz YDDKMYZXWBGTIA-IRXDYDNUSA-N 1 3 331.504 2.894 20 0 EFADHO CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000107329070 472943362 /nfs/dbraw/zinc/94/33/62/472943362.db2.gz VZHQGLHJBDVGKK-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000080109486 472977630 /nfs/dbraw/zinc/97/76/30/472977630.db2.gz HBAKWYCVMOIRLH-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000080109486 472977636 /nfs/dbraw/zinc/97/76/36/472977636.db2.gz HBAKWYCVMOIRLH-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO C[N@H+](CCOC[C@@H]1CCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000092821381 472990399 /nfs/dbraw/zinc/99/03/99/472990399.db2.gz NHUJVISEYJOJOK-FQEVSTJZSA-N 1 3 347.503 2.816 20 0 EFADHO C[N@@H+](CCOC[C@@H]1CCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000092821381 472990406 /nfs/dbraw/zinc/99/04/06/472990406.db2.gz NHUJVISEYJOJOK-FQEVSTJZSA-N 1 3 347.503 2.816 20 0 EFADHO CC(C)N1CC[C@H](N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821492 472991937 /nfs/dbraw/zinc/99/19/37/472991937.db2.gz ZODIVQGRYVDOIG-IBGZPJMESA-N 1 3 344.503 2.629 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159220693 473008547 /nfs/dbraw/zinc/00/85/47/473008547.db2.gz SETDWWUJKHMKEX-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(C)cc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000050802180 473011749 /nfs/dbraw/zinc/01/17/49/473011749.db2.gz BFPWOSKGOQGAGF-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000050802016 473011898 /nfs/dbraw/zinc/01/18/98/473011898.db2.gz CNJWONOZBVZXMW-UHFFFAOYSA-N 1 3 335.879 2.628 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc([S@@](C)=O)cc2)cc1 ZINC000080344207 473018246 /nfs/dbraw/zinc/01/82/46/473018246.db2.gz HTMRZWGHCNJTAC-DEOSSOPVSA-N 1 3 346.496 2.654 20 0 EFADHO CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866674 473020173 /nfs/dbraw/zinc/02/01/73/473020173.db2.gz VRQHYTCXKMFIIV-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000065866674 473020181 /nfs/dbraw/zinc/02/01/81/473020181.db2.gz VRQHYTCXKMFIIV-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCc3ccccc3)c2)C1 ZINC000108421103 473026634 /nfs/dbraw/zinc/02/66/34/473026634.db2.gz JGNHOHBYFHGKIB-FQEVSTJZSA-N 1 3 337.467 2.674 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNCc3ccccc3)c2)C1 ZINC000108421103 473026640 /nfs/dbraw/zinc/02/66/40/473026640.db2.gz JGNHOHBYFHGKIB-FQEVSTJZSA-N 1 3 337.467 2.674 20 0 EFADHO CC(C)N(C)CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000122558150 473029855 /nfs/dbraw/zinc/02/98/55/473029855.db2.gz IYPVKHHOZUTYLR-IRXDYDNUSA-N 1 3 331.504 2.599 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)CC(C)C ZINC000066176895 473053882 /nfs/dbraw/zinc/05/38/82/473053882.db2.gz UUTFBOXLEIIBHT-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122748165 473054038 /nfs/dbraw/zinc/05/40/38/473054038.db2.gz YRVRCDFVADELOR-HZPDHXFCSA-N 1 3 325.497 2.895 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](N2CCCC2)C1)CC(C)C ZINC000066176892 473054902 /nfs/dbraw/zinc/05/49/02/473054902.db2.gz UUTFBOXLEIIBHT-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](CCCCO)C2CC2)CC1 ZINC000093383261 473098411 /nfs/dbraw/zinc/09/84/11/473098411.db2.gz QGHLCCOOWFACIG-UHFFFAOYSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](CCCCO)C2CC2)CC1 ZINC000093383261 473098417 /nfs/dbraw/zinc/09/84/17/473098417.db2.gz QGHLCCOOWFACIG-UHFFFAOYSA-N 1 3 331.504 2.565 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1OC ZINC000093405492 473101942 /nfs/dbraw/zinc/10/19/42/473101942.db2.gz DIPXIAIPWXRPGX-FUHWJXTLSA-N 1 3 347.503 2.632 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000109828627 473127520 /nfs/dbraw/zinc/12/75/20/473127520.db2.gz DNASOWFCGFKART-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000075200573 473149783 /nfs/dbraw/zinc/14/97/83/473149783.db2.gz ANEMEQBMBMKHIY-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000075200573 473149791 /nfs/dbraw/zinc/14/97/91/473149791.db2.gz ANEMEQBMBMKHIY-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000110609818 473165485 /nfs/dbraw/zinc/16/54/85/473165485.db2.gz DQFIRRGIVNYUED-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000110609818 473165491 /nfs/dbraw/zinc/16/54/91/473165491.db2.gz DQFIRRGIVNYUED-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000150992148 473392782 /nfs/dbraw/zinc/39/27/82/473392782.db2.gz RIKOMAHHFLPZTE-CQSZACIVSA-N 1 3 341.446 2.965 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000113594400 473406915 /nfs/dbraw/zinc/40/69/15/473406915.db2.gz QYGLJKBRGQTDLB-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(CN(C)C)c1 ZINC000113594400 473406920 /nfs/dbraw/zinc/40/69/20/473406920.db2.gz QYGLJKBRGQTDLB-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CCCCC1 ZINC000125655180 473442362 /nfs/dbraw/zinc/44/23/62/473442362.db2.gz WQJNBRNPPHAIAT-GOSISDBHSA-N 1 3 330.520 2.758 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000114164434 473444923 /nfs/dbraw/zinc/44/49/23/473444923.db2.gz QQXYZZMFKQDRNC-UHFFFAOYSA-N 1 3 341.455 2.851 20 0 EFADHO CCS[C@@H]1CCCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114458688 473468232 /nfs/dbraw/zinc/46/82/32/473468232.db2.gz QLAWREIJJGCCLK-QGZVFWFLSA-N 1 3 341.565 2.583 20 0 EFADHO CC[C@@H](CN[C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+]1CCCC1 ZINC000151655162 473482244 /nfs/dbraw/zinc/48/22/44/473482244.db2.gz LFULBRJTUFRZSG-KBPBESRZSA-N 1 3 338.883 2.916 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676204 473486321 /nfs/dbraw/zinc/48/63/21/473486321.db2.gz LZEQTYPPKJIAEQ-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676204 473486327 /nfs/dbraw/zinc/48/63/27/473486327.db2.gz LZEQTYPPKJIAEQ-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676204 473486338 /nfs/dbraw/zinc/48/63/38/473486338.db2.gz LZEQTYPPKJIAEQ-NSHGMRRFSA-N 1 3 346.515 2.977 20 0 EFADHO C[C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000164454596 473488541 /nfs/dbraw/zinc/48/85/41/473488541.db2.gz GVQSHVIYOGHAPW-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(CC2CCCCC2)CC1 ZINC000164453644 473489077 /nfs/dbraw/zinc/48/90/77/473489077.db2.gz YFLIPPMIPHPSJG-YQQQUEKLSA-N 1 3 333.520 2.632 20 0 EFADHO CCCC[NH+]1CCC(N[C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000164476085 473490489 /nfs/dbraw/zinc/49/04/89/473490489.db2.gz VGYPDFWJRDSOBE-ZDUSSCGKSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(Br)c1)NCCC[NH+](C)C ZINC000151906949 473505890 /nfs/dbraw/zinc/50/58/90/473505890.db2.gz SAGGNTWSPXBZHX-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO COc1ccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126392306 473513523 /nfs/dbraw/zinc/51/35/23/473513523.db2.gz MYEIFIQPIAEPLU-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000165723549 473515433 /nfs/dbraw/zinc/51/54/33/473515433.db2.gz FUCMKVOTEWVXNQ-RBUKOAKNSA-N 1 3 329.488 2.575 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[NH2+]CC2CC2)c2ccccc2)CC1 ZINC000165728906 473515551 /nfs/dbraw/zinc/51/55/51/473515551.db2.gz GCJYYPLBXOXWHK-LJQANCHMSA-N 1 3 329.488 2.575 20 0 EFADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)CC1 ZINC000114913996 473518998 /nfs/dbraw/zinc/51/89/98/473518998.db2.gz NKIIMJUTJJXUPW-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000126528189 473523733 /nfs/dbraw/zinc/52/37/33/473523733.db2.gz FLBJQLQJAHWDOY-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000126528189 473523738 /nfs/dbraw/zinc/52/37/38/473523738.db2.gz FLBJQLQJAHWDOY-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)N1CCC[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613579256 480045102 /nfs/dbraw/zinc/04/51/02/480045102.db2.gz KBTOYLWMSVIDNE-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H](C)C1CCCCC1 ZINC000168925124 473545170 /nfs/dbraw/zinc/54/51/70/473545170.db2.gz FSNVIISBAMJYFC-MOPGFXCFSA-N 1 3 339.568 2.571 20 0 EFADHO Cc1cc(NC(=O)C[C@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000169093925 473546717 /nfs/dbraw/zinc/54/67/17/473546717.db2.gz RSCBMWXVKNUVSI-MRXNPFEDSA-N 1 3 331.460 2.550 20 0 EFADHO C[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000127078241 473573759 /nfs/dbraw/zinc/57/37/59/473573759.db2.gz WAEKELMVGYFWKM-IEBWSBKVSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000127078676 473574612 /nfs/dbraw/zinc/57/46/12/473574612.db2.gz WAEKELMVGYFWKM-MJGOQNOKSA-N 1 3 343.515 2.793 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000186055915 473580669 /nfs/dbraw/zinc/58/06/69/473580669.db2.gz HOVRQZYZOOZMFN-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000115552185 473581274 /nfs/dbraw/zinc/58/12/74/473581274.db2.gz BOIGCUNFOBWYLE-MJGOQNOKSA-N 1 3 343.515 2.853 20 0 EFADHO C[C@H](NCC[S@@](=O)C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000127201932 473586712 /nfs/dbraw/zinc/58/67/12/473586712.db2.gz BHOFEKRDWDVKNU-WNSKOXEYSA-N 1 3 340.533 2.825 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115798800 473604331 /nfs/dbraw/zinc/60/43/31/473604331.db2.gz IFMBJBVLBNYPAG-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000115798800 473604336 /nfs/dbraw/zinc/60/43/36/473604336.db2.gz IFMBJBVLBNYPAG-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)N1CCCC1 ZINC000153358124 473620793 /nfs/dbraw/zinc/62/07/93/473620793.db2.gz QVMIVTIMHAQDPV-AOIWGVFYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCC1 ZINC000153358124 473620798 /nfs/dbraw/zinc/62/07/98/473620798.db2.gz QVMIVTIMHAQDPV-AOIWGVFYSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)[C@H](C)C1)N1CCCC1 ZINC000153358124 473620801 /nfs/dbraw/zinc/62/08/01/473620801.db2.gz QVMIVTIMHAQDPV-AOIWGVFYSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000127942921 473666060 /nfs/dbraw/zinc/66/60/60/473666060.db2.gz ADJUCNTYRPUHNG-WBVHZDCISA-N 1 3 348.535 2.708 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000127943123 473666212 /nfs/dbraw/zinc/66/62/12/473666212.db2.gz ADJUCNTYRPUHNG-RDJZCZTQSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000127943587 473666305 /nfs/dbraw/zinc/66/63/05/473666305.db2.gz ADJUCNTYRPUHNG-DOTOQJQBSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CN1C1CC1 ZINC000127943339 473666685 /nfs/dbraw/zinc/66/66/85/473666685.db2.gz ADJUCNTYRPUHNG-NVXWUHKLSA-N 1 3 348.535 2.708 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC000172649414 473666995 /nfs/dbraw/zinc/66/69/95/473666995.db2.gz ZPKHQNKYHRATQH-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC000172717517 473675036 /nfs/dbraw/zinc/67/50/36/473675036.db2.gz BUNRHSSOJVKWBQ-UHFFFAOYSA-N 1 3 335.492 2.599 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000262592158 473699487 /nfs/dbraw/zinc/69/94/87/473699487.db2.gz RZCJCFFMYALVMB-LSTHTHJFSA-N 1 3 343.515 2.573 20 0 EFADHO C[C@H](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262671046 473709952 /nfs/dbraw/zinc/70/99/52/473709952.db2.gz NXOGIEKJSKXPIW-HOJAQTOUSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000262729171 473716352 /nfs/dbraw/zinc/71/63/52/473716352.db2.gz BGZYSHMLBTZYHG-RKVPGOIHSA-N 1 3 335.517 2.909 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000192745621 473717235 /nfs/dbraw/zinc/71/72/35/473717235.db2.gz UYSRBWHIPOBWRE-NRFANRHFSA-N 1 3 329.532 2.967 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000192745621 473717243 /nfs/dbraw/zinc/71/72/43/473717243.db2.gz UYSRBWHIPOBWRE-NRFANRHFSA-N 1 3 329.532 2.967 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000245616729 473727124 /nfs/dbraw/zinc/72/71/24/473727124.db2.gz NFMWEEQNMJPCEF-PXNSSMCTSA-N 1 3 330.520 2.719 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000245616729 473727131 /nfs/dbraw/zinc/72/71/31/473727131.db2.gz NFMWEEQNMJPCEF-PXNSSMCTSA-N 1 3 330.520 2.719 20 0 EFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000263206567 473745321 /nfs/dbraw/zinc/74/53/21/473745321.db2.gz JVHYRCDVNBTLHO-DMRZNYOFSA-N 1 3 328.378 2.511 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](CN)c1ccccc1)c1ccccc1 ZINC000269249617 473748650 /nfs/dbraw/zinc/74/86/50/473748650.db2.gz GIERSRBQXDIPDD-VQIMIIECSA-N 1 3 339.483 2.975 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000287748934 473749772 /nfs/dbraw/zinc/74/97/72/473749772.db2.gz CTKDBKPUCHIOLK-JENIJYKNSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000287748934 473749781 /nfs/dbraw/zinc/74/97/81/473749781.db2.gz CTKDBKPUCHIOLK-JENIJYKNSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287748940 473750228 /nfs/dbraw/zinc/75/02/28/473750228.db2.gz CTKDBKPUCHIOLK-SCTDSRPQSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000287748940 473750232 /nfs/dbraw/zinc/75/02/32/473750232.db2.gz CTKDBKPUCHIOLK-SCTDSRPQSA-N 1 3 346.519 2.661 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269265635 473755722 /nfs/dbraw/zinc/75/57/22/473755722.db2.gz YRXIRKTUDRUODS-GOSISDBHSA-N 1 3 342.487 2.594 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000245902701 473759172 /nfs/dbraw/zinc/75/91/72/473759172.db2.gz SVKOZEKSAYMVDX-OTWHNJEPSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000245902701 473759175 /nfs/dbraw/zinc/75/91/75/473759175.db2.gz SVKOZEKSAYMVDX-OTWHNJEPSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCN1C ZINC000269277247 473759224 /nfs/dbraw/zinc/75/92/24/473759224.db2.gz XXRNPICSRVBWBI-QAPCUYQASA-N 1 3 342.487 2.545 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCN1C ZINC000269277246 473759352 /nfs/dbraw/zinc/75/93/52/473759352.db2.gz XXRNPICSRVBWBI-MAUKXSAKSA-N 1 3 342.487 2.545 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000269278743 473760000 /nfs/dbraw/zinc/76/00/00/473760000.db2.gz ZEVABUGJDVYWQR-LJQANCHMSA-N 1 3 332.492 2.593 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269277280 473760207 /nfs/dbraw/zinc/76/02/07/473760207.db2.gz YBKKFDHYBAYXOL-BVBHFADKSA-N 1 3 329.488 2.531 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CNCC2=CCCOC2)cc1OC ZINC000269297033 473764667 /nfs/dbraw/zinc/76/46/67/473764667.db2.gz QAWWHKUZMKDRRM-UHFFFAOYSA-N 1 3 348.487 2.852 20 0 EFADHO CN(CCC[NH+]1CCCC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000281632491 473790115 /nfs/dbraw/zinc/79/01/15/473790115.db2.gz GQTZSHLQNSCKHD-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246242735 473802652 /nfs/dbraw/zinc/80/26/52/473802652.db2.gz DJPWFFAXVQOIOM-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246242735 473802656 /nfs/dbraw/zinc/80/26/56/473802656.db2.gz DJPWFFAXVQOIOM-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817687 473811187 /nfs/dbraw/zinc/81/11/87/473811187.db2.gz HCVHVKKNOIQKFW-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCCC1 ZINC000193817687 473811193 /nfs/dbraw/zinc/81/11/93/473811193.db2.gz HCVHVKKNOIQKFW-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000288037457 473831118 /nfs/dbraw/zinc/83/11/18/473831118.db2.gz OELDOGLFVQRXII-YQVWRLOYSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000288037457 473831125 /nfs/dbraw/zinc/83/11/25/473831125.db2.gz OELDOGLFVQRXII-YQVWRLOYSA-N 1 3 346.519 2.631 20 0 EFADHO c1ccc(COCCOCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000180231859 473833526 /nfs/dbraw/zinc/83/35/26/473833526.db2.gz MGKKFGLXNBBPPI-VQTJNVASSA-N 1 3 332.488 2.826 20 0 EFADHO c1ccc(COCCOCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000180231859 473833533 /nfs/dbraw/zinc/83/35/33/473833533.db2.gz MGKKFGLXNBBPPI-VQTJNVASSA-N 1 3 332.488 2.826 20 0 EFADHO c1ccc(COCCOCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000180231843 473834674 /nfs/dbraw/zinc/83/46/74/473834674.db2.gz MGKKFGLXNBBPPI-WOJBJXKFSA-N 1 3 332.488 2.826 20 0 EFADHO c1ccc(COCCOCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000180231843 473834682 /nfs/dbraw/zinc/83/46/82/473834682.db2.gz MGKKFGLXNBBPPI-WOJBJXKFSA-N 1 3 332.488 2.826 20 0 EFADHO COC[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000194068749 473838059 /nfs/dbraw/zinc/83/80/59/473838059.db2.gz FSAQFVJXOIROBN-SFHVURJKSA-N 1 3 339.911 2.643 20 0 EFADHO CC[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](CC)CC ZINC000269596018 473842424 /nfs/dbraw/zinc/84/24/24/473842424.db2.gz FAUAKMNEEVLSAQ-QFBILLFUSA-N 1 3 346.519 2.844 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000269619407 473844942 /nfs/dbraw/zinc/84/49/42/473844942.db2.gz CQKYARFXYCTAAH-LJQANCHMSA-N 1 3 345.487 2.973 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410349 473854093 /nfs/dbraw/zinc/85/40/93/473854093.db2.gz RZPKWSUKBDLDLR-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410349 473854101 /nfs/dbraw/zinc/85/41/01/473854101.db2.gz RZPKWSUKBDLDLR-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000269658637 473855528 /nfs/dbraw/zinc/85/55/28/473855528.db2.gz JNAJXFULUZYKGR-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269658637 473855540 /nfs/dbraw/zinc/85/55/40/473855540.db2.gz JNAJXFULUZYKGR-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246427013 473860875 /nfs/dbraw/zinc/86/08/75/473860875.db2.gz STHMMXKDUQWJGN-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246427013 473860881 /nfs/dbraw/zinc/86/08/81/473860881.db2.gz STHMMXKDUQWJGN-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281876839 473867326 /nfs/dbraw/zinc/86/73/26/473867326.db2.gz FTOFTVBCGHNRQS-QGZVFWFLSA-N 1 3 340.515 2.642 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000281876836 473867981 /nfs/dbraw/zinc/86/79/81/473867981.db2.gz FTOFTVBCGHNRQS-KRWDZBQOSA-N 1 3 340.515 2.642 20 0 EFADHO CNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180461303 473883220 /nfs/dbraw/zinc/88/32/20/473883220.db2.gz DAEMCIBPRDDZIQ-QYZOEREBSA-N 1 3 343.515 2.649 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1C ZINC000194413610 473893711 /nfs/dbraw/zinc/89/37/11/473893711.db2.gz HMJHKEUUFBJRBM-FQEVSTJZSA-N 1 3 340.467 2.860 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C ZINC000194413610 473893717 /nfs/dbraw/zinc/89/37/17/473893717.db2.gz HMJHKEUUFBJRBM-FQEVSTJZSA-N 1 3 340.467 2.860 20 0 EFADHO Cc1c(Cl)cccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000194484188 473905519 /nfs/dbraw/zinc/90/55/19/473905519.db2.gz JKIDKBXBVBMCDA-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H](c1ccccc1)N(C)C ZINC000288342191 473914812 /nfs/dbraw/zinc/91/48/12/473914812.db2.gz YVMRIGLAYNPOOV-SJLPKXTDSA-N 1 3 346.519 2.804 20 0 EFADHO C(=C/C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)\CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246616062 473918335 /nfs/dbraw/zinc/91/83/35/473918335.db2.gz JRXSQDQSAAMGBQ-ORYWRSLBSA-N 1 3 334.504 2.544 20 0 EFADHO C(=C/C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)\CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000246616062 473918342 /nfs/dbraw/zinc/91/83/42/473918342.db2.gz JRXSQDQSAAMGBQ-ORYWRSLBSA-N 1 3 334.504 2.544 20 0 EFADHO C(=C/C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)\CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246616062 473918347 /nfs/dbraw/zinc/91/83/47/473918347.db2.gz JRXSQDQSAAMGBQ-ORYWRSLBSA-N 1 3 334.504 2.544 20 0 EFADHO C(=C/C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)\CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246616062 473918353 /nfs/dbraw/zinc/91/83/53/473918353.db2.gz JRXSQDQSAAMGBQ-ORYWRSLBSA-N 1 3 334.504 2.544 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC(F)F)c(F)c2)CC1 ZINC000270032031 473960187 /nfs/dbraw/zinc/96/01/87/473960187.db2.gz YJAHEVNKNAVIRK-UHFFFAOYSA-N 1 3 346.393 2.752 20 0 EFADHO Cc1ccc(C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)cc1 ZINC000282161461 473964987 /nfs/dbraw/zinc/96/49/87/473964987.db2.gz DJSPZYFPWSBXGP-FQEVSTJZSA-N 1 3 329.532 2.932 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](O)CN1CCCC1 ZINC000288543693 473976177 /nfs/dbraw/zinc/97/61/77/473976177.db2.gz AMEUYSCDRKAKKU-HNAYVOBHSA-N 1 3 327.472 2.900 20 0 EFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000194926176 473977875 /nfs/dbraw/zinc/97/78/75/473977875.db2.gz SXRYCNOLJAGSEU-HNNXBMFYSA-N 1 3 341.455 2.534 20 0 EFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000246844384 473980205 /nfs/dbraw/zinc/98/02/05/473980205.db2.gz BBSBVVWXBYMYTB-MNZLEMJZSA-N 1 3 331.504 2.892 20 0 EFADHO COc1ccc2oc(C[NH2+]CCN3CCN(C)C(C)(C)C3)cc2c1 ZINC000282208547 473982019 /nfs/dbraw/zinc/98/20/19/473982019.db2.gz DDIZAWJZYWVBSO-UHFFFAOYSA-N 1 3 331.460 2.557 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(O)c1 ZINC000194956800 473983635 /nfs/dbraw/zinc/98/36/35/473983635.db2.gz YLMGLFTTWZOOSL-YWZLYKJASA-N 1 3 326.440 2.810 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(O)c1 ZINC000194956800 473983643 /nfs/dbraw/zinc/98/36/43/473983643.db2.gz YLMGLFTTWZOOSL-YWZLYKJASA-N 1 3 326.440 2.810 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000174119248 473989730 /nfs/dbraw/zinc/98/97/30/473989730.db2.gz LCYDCNOTSRQZKF-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000195049227 473998083 /nfs/dbraw/zinc/99/80/83/473998083.db2.gz VKWRDXFCZUJZIC-QGZVFWFLSA-N 1 3 332.492 2.990 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000195049227 473998093 /nfs/dbraw/zinc/99/80/93/473998093.db2.gz VKWRDXFCZUJZIC-QGZVFWFLSA-N 1 3 332.492 2.990 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCS2 ZINC000282277236 474006046 /nfs/dbraw/zinc/00/60/46/474006046.db2.gz KVYFPSAJBLWPGL-QGZVFWFLSA-N 1 3 349.544 2.848 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)c1 ZINC000246930647 474006759 /nfs/dbraw/zinc/00/67/59/474006759.db2.gz GMLSROFUODDABK-ZKNHNOBHSA-N 1 3 347.503 2.601 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](N[C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000246930647 474006768 /nfs/dbraw/zinc/00/67/68/474006768.db2.gz GMLSROFUODDABK-ZKNHNOBHSA-N 1 3 347.503 2.601 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000195130822 474013227 /nfs/dbraw/zinc/01/32/27/474013227.db2.gz ZCOODZHMCLMFND-HZPDHXFCSA-N 1 3 335.517 2.637 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181296554 474024319 /nfs/dbraw/zinc/02/43/19/474024319.db2.gz HHOZXUDFNVGEMQ-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000195191498 474026133 /nfs/dbraw/zinc/02/61/33/474026133.db2.gz YQLRPARKLXEJNB-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO Cc1cccc(C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c1 ZINC000282333764 474026162 /nfs/dbraw/zinc/02/61/62/474026162.db2.gz OHUPHWHAXDCKKU-FQEVSTJZSA-N 1 3 329.532 2.932 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC(C)CC1 ZINC000174387637 474033119 /nfs/dbraw/zinc/03/31/19/474033119.db2.gz OZTMNMDOJGZFIO-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC(C)CC1 ZINC000174387637 474033127 /nfs/dbraw/zinc/03/31/27/474033127.db2.gz OZTMNMDOJGZFIO-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1(C)C ZINC000188246345 474033193 /nfs/dbraw/zinc/03/31/93/474033193.db2.gz GTWSSRCMRVBTHR-VQIMIIECSA-N 1 3 333.476 2.528 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)N1CCC(C)CC1 ZINC000174387648 474033214 /nfs/dbraw/zinc/03/32/14/474033214.db2.gz OZTMNMDOJGZFIO-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)N1CCC(C)CC1 ZINC000174387648 474033227 /nfs/dbraw/zinc/03/32/27/474033227.db2.gz OZTMNMDOJGZFIO-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CCO[C@H]1C[C@@](N)(C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1(C)C ZINC000188246371 474033529 /nfs/dbraw/zinc/03/35/29/474033529.db2.gz GTWSSRCMRVBTHR-QFBILLFUSA-N 1 3 333.476 2.528 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000247051676 474048863 /nfs/dbraw/zinc/04/88/63/474048863.db2.gz SAAGDXODLJHAQM-ZACQAIPSSA-N 1 3 331.504 2.844 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H](C)C1 ZINC000247074416 474058057 /nfs/dbraw/zinc/05/80/57/474058057.db2.gz OMDFTKJIXMQACQ-HKUYNNGSSA-N 1 3 326.488 2.794 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H](C)C1 ZINC000247074416 474058066 /nfs/dbraw/zinc/05/80/66/474058066.db2.gz OMDFTKJIXMQACQ-HKUYNNGSSA-N 1 3 326.488 2.794 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094727 474062342 /nfs/dbraw/zinc/06/23/42/474062342.db2.gz PQDPXAZUFIDHHH-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094727 474062356 /nfs/dbraw/zinc/06/23/56/474062356.db2.gz PQDPXAZUFIDHHH-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000247094727 474062362 /nfs/dbraw/zinc/06/23/62/474062362.db2.gz PQDPXAZUFIDHHH-XKGFGPFHSA-N 1 3 345.531 2.868 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247100756 474065669 /nfs/dbraw/zinc/06/56/69/474065669.db2.gz PZPQNIWTJDOYDY-ZVDOUQERSA-N 1 3 344.547 2.517 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](C)N2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247100756 474065674 /nfs/dbraw/zinc/06/56/74/474065674.db2.gz PZPQNIWTJDOYDY-ZVDOUQERSA-N 1 3 344.547 2.517 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000195363915 474066103 /nfs/dbraw/zinc/06/61/03/474066103.db2.gz AQPQTPJAOMTVKH-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000195363915 474066108 /nfs/dbraw/zinc/06/61/08/474066108.db2.gz AQPQTPJAOMTVKH-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)OCCCO2 ZINC000282443209 474067843 /nfs/dbraw/zinc/06/78/43/474067843.db2.gz UOYWVBPERRPBKV-MRXNPFEDSA-N 1 3 347.503 2.525 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282450674 474070637 /nfs/dbraw/zinc/07/06/37/474070637.db2.gz VALCLWDTKRUJDV-IAGOWNOFSA-N 1 3 333.520 2.803 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000275117613 474075865 /nfs/dbraw/zinc/07/58/65/474075865.db2.gz ZBHXBKIIJBQYIE-HOTGVXAUSA-N 1 3 346.519 2.890 20 0 EFADHO C[C@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000182013116 474081306 /nfs/dbraw/zinc/08/13/06/474081306.db2.gz BUFDBDKKTWHVFN-HOCLYGCPSA-N 1 3 331.485 2.818 20 0 EFADHO C[C@@H](NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000182013132 474081401 /nfs/dbraw/zinc/08/14/01/474081401.db2.gz BUFDBDKKTWHVFN-ZBFHGGJFSA-N 1 3 331.485 2.818 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000247190830 474084476 /nfs/dbraw/zinc/08/44/76/474084476.db2.gz UKTRLOGLFKNIQS-RRQGHBQHSA-N 1 3 339.505 2.582 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000188417476 474088436 /nfs/dbraw/zinc/08/84/36/474088436.db2.gz FGOGODRQNVGPTO-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264685963 474088789 /nfs/dbraw/zinc/08/87/89/474088789.db2.gz FESJBTJFAOICMT-KRWDZBQOSA-N 1 3 340.895 2.886 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000264685963 474088795 /nfs/dbraw/zinc/08/87/95/474088795.db2.gz FESJBTJFAOICMT-KRWDZBQOSA-N 1 3 340.895 2.886 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C)C1 ZINC000282519875 474096290 /nfs/dbraw/zinc/09/62/90/474096290.db2.gz UKCZPIOKQZAOPT-NJAFHUGGSA-N 1 3 330.476 2.613 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C)C1 ZINC000282519875 474096294 /nfs/dbraw/zinc/09/62/94/474096294.db2.gz UKCZPIOKQZAOPT-NJAFHUGGSA-N 1 3 330.476 2.613 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000182087702 474097182 /nfs/dbraw/zinc/09/71/82/474097182.db2.gz LXMZGESLGXEGSO-NVXWUHKLSA-N 1 3 345.487 2.797 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525096 474098623 /nfs/dbraw/zinc/09/86/23/474098623.db2.gz UXZAXWQORZZIEM-LMSBXDPUSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282525096 474098630 /nfs/dbraw/zinc/09/86/30/474098630.db2.gz UXZAXWQORZZIEM-LMSBXDPUSA-N 1 3 330.476 2.611 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000195598990 474101571 /nfs/dbraw/zinc/10/15/71/474101571.db2.gz PPHTZQPERZULCL-LMMKCTJWSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195606672 474101640 /nfs/dbraw/zinc/10/16/40/474101640.db2.gz VLZONBWFQCMKEQ-KZNAEPCWSA-N 1 3 338.540 2.528 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C12CCC2 ZINC000182258651 474136832 /nfs/dbraw/zinc/13/68/32/474136832.db2.gz ZEYOKWJWESSHJF-XUVXKRRUSA-N 1 3 344.499 2.691 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000175101225 474142659 /nfs/dbraw/zinc/14/26/59/474142659.db2.gz TYWYMWKNMBGKGR-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000175101225 474142666 /nfs/dbraw/zinc/14/26/66/474142666.db2.gz TYWYMWKNMBGKGR-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000188621724 474143897 /nfs/dbraw/zinc/14/38/97/474143897.db2.gz OKKLQGYUGAWZSL-LJQANCHMSA-N 1 3 346.519 2.807 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247509970 474168787 /nfs/dbraw/zinc/16/87/87/474168787.db2.gz YHGKJTUZCHRCDN-PKOBYXMFSA-N 1 3 346.519 2.566 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000247509970 474168796 /nfs/dbraw/zinc/16/87/96/474168796.db2.gz YHGKJTUZCHRCDN-PKOBYXMFSA-N 1 3 346.519 2.566 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000223638536 474188368 /nfs/dbraw/zinc/18/83/68/474188368.db2.gz JDSNJQLCEVBOPY-JJXSEGSLSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000223638536 474188374 /nfs/dbraw/zinc/18/83/74/474188374.db2.gz JDSNJQLCEVBOPY-JJXSEGSLSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)(CNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C[NH+]1CCCC1 ZINC000289245010 474195074 /nfs/dbraw/zinc/19/50/74/474195074.db2.gz AOUSRRLBBAJVAW-SJORKVTESA-N 1 3 344.455 2.529 20 0 EFADHO CN(CCCOCc1ccccc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000182577801 474210262 /nfs/dbraw/zinc/21/02/62/474210262.db2.gz MMLJHTMTZPABRZ-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO CN(CCCOCc1ccccc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000182577801 474210270 /nfs/dbraw/zinc/21/02/70/474210270.db2.gz MMLJHTMTZPABRZ-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000282840083 474213257 /nfs/dbraw/zinc/21/32/57/474213257.db2.gz SRLRHNIRTGVMCD-VDGAXYAQSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)[C@H](C)C1 ZINC000247933271 474227879 /nfs/dbraw/zinc/22/78/79/474227879.db2.gz CFOURFRGZDDTCA-XOKHGSTOSA-N 1 3 325.447 2.887 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175487141 474233151 /nfs/dbraw/zinc/23/31/51/474233151.db2.gz MDJDQRJMCMAYOD-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175487141 474233159 /nfs/dbraw/zinc/23/31/59/474233159.db2.gz MDJDQRJMCMAYOD-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000275559920 474236118 /nfs/dbraw/zinc/23/61/18/474236118.db2.gz BBRRWKDQLSTGNO-MRXNPFEDSA-N 1 3 332.492 2.596 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000275559920 474236124 /nfs/dbraw/zinc/23/61/24/474236124.db2.gz BBRRWKDQLSTGNO-MRXNPFEDSA-N 1 3 332.492 2.596 20 0 EFADHO CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](F)CN1)[NH2+][C@H](C)c1ccccc1 ZINC000275567747 474239183 /nfs/dbraw/zinc/23/91/83/474239183.db2.gz XQXYDAIKAJTDGU-LAVFITLUSA-N 1 3 335.467 2.568 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275592442 474245105 /nfs/dbraw/zinc/24/51/05/474245105.db2.gz FRZVJQAUFOKWAC-QZTJIDSGSA-N 1 3 330.476 2.539 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000275592442 474245114 /nfs/dbraw/zinc/24/51/14/474245114.db2.gz FRZVJQAUFOKWAC-QZTJIDSGSA-N 1 3 330.476 2.539 20 0 EFADHO CN1CC[NH+](CC2CCN(Cc3ccc4occc4c3)CC2)CC1 ZINC000289384999 474248623 /nfs/dbraw/zinc/24/86/23/474248623.db2.gz CZUNIAUOHWVEKJ-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCCN2CCCCC2)[C@@H](C)C1 ZINC000248061153 474253616 /nfs/dbraw/zinc/25/36/16/474253616.db2.gz YLYHRAFWGUKXNN-OALUTQOASA-N 1 3 325.541 2.589 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248120088 474262073 /nfs/dbraw/zinc/26/20/73/474262073.db2.gz NFZUEBZPOVEHOE-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248120088 474262082 /nfs/dbraw/zinc/26/20/82/474262082.db2.gz NFZUEBZPOVEHOE-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230973448 474262739 /nfs/dbraw/zinc/26/27/39/474262739.db2.gz IBNQIHWKQDTMKG-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO C[N@H+]1CCC[C@@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230973448 474262743 /nfs/dbraw/zinc/26/27/43/474262743.db2.gz IBNQIHWKQDTMKG-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CN(CC1([NH+](C)C)CCC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000275646744 474264362 /nfs/dbraw/zinc/26/43/62/474264362.db2.gz OUTRSADWBWXYOQ-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275658677 474269858 /nfs/dbraw/zinc/26/98/58/474269858.db2.gz NTXZTCKOGIYIRX-INIZCTEOSA-N 1 3 332.492 2.596 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275658677 474269865 /nfs/dbraw/zinc/26/98/65/474269865.db2.gz NTXZTCKOGIYIRX-INIZCTEOSA-N 1 3 332.492 2.596 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248155975 474272334 /nfs/dbraw/zinc/27/23/34/474272334.db2.gz RKCLHHQMXNFRMA-FPCVCCKLSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248155975 474272340 /nfs/dbraw/zinc/27/23/40/474272340.db2.gz RKCLHHQMXNFRMA-FPCVCCKLSA-N 1 3 325.497 2.704 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](CN)c3ccccc3)C2)CC1 ZINC000236625457 474275092 /nfs/dbraw/zinc/27/50/92/474275092.db2.gz BOVGODOIYPYQCI-AZUAARDMSA-N 1 3 343.515 2.699 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000236652217 474277926 /nfs/dbraw/zinc/27/79/26/474277926.db2.gz YXGAHWDCJJBNSM-PMPSAXMXSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265649498 474281323 /nfs/dbraw/zinc/28/13/23/474281323.db2.gz NXEOLBOCHWORJP-DBWMJRBXSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265649498 474281329 /nfs/dbraw/zinc/28/13/29/474281329.db2.gz NXEOLBOCHWORJP-DBWMJRBXSA-N 1 3 329.488 2.795 20 0 EFADHO CCN(Cc1c[nH]c(C(=O)OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289463332 474282701 /nfs/dbraw/zinc/28/27/01/474282701.db2.gz ORAGGSKVELLODD-UHFFFAOYSA-N 1 3 329.444 2.885 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275693578 474284658 /nfs/dbraw/zinc/28/46/58/474284658.db2.gz RPUSLBNPPCMPPF-MSOLQXFVSA-N 1 3 344.503 2.881 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1CCN(C)C ZINC000275698866 474287021 /nfs/dbraw/zinc/28/70/21/474287021.db2.gz SLZHAPUJJKRTJA-INIZCTEOSA-N 1 3 346.519 2.985 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000236818563 474290115 /nfs/dbraw/zinc/29/01/15/474290115.db2.gz JAXRHMGUVYSKJD-AWEZNQCLSA-N 1 3 343.393 2.696 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189107922 474293479 /nfs/dbraw/zinc/29/34/79/474293479.db2.gz QBNIDTNAEPMVKH-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000289494184 474296600 /nfs/dbraw/zinc/29/66/00/474296600.db2.gz SAXJDDKPGPCFTJ-UHFFFAOYSA-N 1 3 327.476 2.884 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000289494184 474296607 /nfs/dbraw/zinc/29/66/07/474296607.db2.gz SAXJDDKPGPCFTJ-UHFFFAOYSA-N 1 3 327.476 2.884 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000275727638 474296886 /nfs/dbraw/zinc/29/68/86/474296886.db2.gz WVHTYTMRZUKMQB-GOSISDBHSA-N 1 3 344.503 2.883 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000275727638 474296889 /nfs/dbraw/zinc/29/68/89/474296889.db2.gz WVHTYTMRZUKMQB-GOSISDBHSA-N 1 3 344.503 2.883 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)N(CC)CC ZINC000275726225 474296907 /nfs/dbraw/zinc/29/69/07/474296907.db2.gz PDLUQTRVGHBMNJ-RTBURBONSA-N 1 3 346.519 2.673 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(C)C ZINC000236903822 474300443 /nfs/dbraw/zinc/30/04/43/474300443.db2.gz KZLPPKCQXANAKZ-OALUTQOASA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC(C)C ZINC000236903822 474300451 /nfs/dbraw/zinc/30/04/51/474300451.db2.gz KZLPPKCQXANAKZ-OALUTQOASA-N 1 3 331.504 2.730 20 0 EFADHO CCN(CC)C(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248390064 474304170 /nfs/dbraw/zinc/30/41/70/474304170.db2.gz BNIHUHCJASPVIQ-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000248396893 474305687 /nfs/dbraw/zinc/30/56/87/474305687.db2.gz HMUQZXXFLVKIPR-ABHMUUKNSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248396893 474305692 /nfs/dbraw/zinc/30/56/92/474305692.db2.gz HMUQZXXFLVKIPR-ABHMUUKNSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248396893 474305701 /nfs/dbraw/zinc/30/57/01/474305701.db2.gz HMUQZXXFLVKIPR-ABHMUUKNSA-N 1 3 348.556 2.989 20 0 EFADHO CN(C)C/C=C/C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000265719805 474308851 /nfs/dbraw/zinc/30/88/51/474308851.db2.gz YNQIKIWPEZEDEP-FMIVXFBMSA-N 1 3 329.488 2.797 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000248402980 474309481 /nfs/dbraw/zinc/30/94/81/474309481.db2.gz WXYJUKDXGYSYFN-LFUKPOHLSA-N 1 3 343.515 2.791 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236951155 474310027 /nfs/dbraw/zinc/31/00/27/474310027.db2.gz HOBCUBLEQUIJTC-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000236958895 474311564 /nfs/dbraw/zinc/31/15/64/474311564.db2.gz NMANNPSZVZBSSK-OXQOHEQNSA-N 1 3 345.531 2.994 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)c2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000236960384 474312314 /nfs/dbraw/zinc/31/23/14/474312314.db2.gz FJSOJFYZGWMKBU-LJQANCHMSA-N 1 3 325.456 2.740 20 0 EFADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407916 474312203 /nfs/dbraw/zinc/31/22/03/474312203.db2.gz UVTMBYNTKVDGNZ-BQJUDKOJSA-N 1 3 346.515 2.664 20 0 EFADHO COCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407918 474312432 /nfs/dbraw/zinc/31/24/32/474312432.db2.gz UVTMBYNTKVDGNZ-NCYKPQTJSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000248427277 474318552 /nfs/dbraw/zinc/31/85/52/474318552.db2.gz ADGFVXYHKOTLIB-HRAATJIYSA-N 1 3 340.467 2.596 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000248427277 474318557 /nfs/dbraw/zinc/31/85/57/474318557.db2.gz ADGFVXYHKOTLIB-HRAATJIYSA-N 1 3 340.467 2.596 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000248429818 474320015 /nfs/dbraw/zinc/32/00/15/474320015.db2.gz BMLNXMJYSUEGFH-UZLBHIALSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000248429818 474320018 /nfs/dbraw/zinc/32/00/18/474320018.db2.gz BMLNXMJYSUEGFH-UZLBHIALSA-N 1 3 325.456 2.889 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000237009931 474321688 /nfs/dbraw/zinc/32/16/88/474321688.db2.gz RUGGYAUISJLASA-SJORKVTESA-N 1 3 344.503 2.593 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237019264 474324359 /nfs/dbraw/zinc/32/43/59/474324359.db2.gz QUULKGQCFIRNSD-RMPXNZIMSA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237019264 474324366 /nfs/dbraw/zinc/32/43/66/474324366.db2.gz QUULKGQCFIRNSD-RMPXNZIMSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@@H](NCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104146 474328463 /nfs/dbraw/zinc/32/84/63/474328463.db2.gz FUGYOTJGFPVJPP-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H](NCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104146 474328468 /nfs/dbraw/zinc/32/84/68/474328468.db2.gz FUGYOTJGFPVJPP-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000183104146 474328475 /nfs/dbraw/zinc/32/84/75/474328475.db2.gz FUGYOTJGFPVJPP-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000237056862 474329074 /nfs/dbraw/zinc/32/90/74/474329074.db2.gz UIQUUIGNSIIMSO-IBGZPJMESA-N 1 3 325.456 2.845 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C1(C)C ZINC000248455754 474330073 /nfs/dbraw/zinc/33/00/73/474330073.db2.gz RRYJGGVLIRGCBG-GUDVDZBRSA-N 1 3 332.488 2.546 20 0 EFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CNC2CC2)cc1 ZINC000237069170 474333396 /nfs/dbraw/zinc/33/33/96/474333396.db2.gz GBTNSFSOXNGYLG-UHFFFAOYSA-N 1 3 337.467 2.783 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C12CCC2 ZINC000248464063 474333966 /nfs/dbraw/zinc/33/39/66/474333966.db2.gz ZEYOKWJWESSHJF-HSALFYBXSA-N 1 3 344.499 2.691 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000237082222 474334570 /nfs/dbraw/zinc/33/45/70/474334570.db2.gz OFWMYRYMJSYOCF-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183133238 474334530 /nfs/dbraw/zinc/33/45/30/474334530.db2.gz WDOVPBFOUPCHCR-AABGKKOBSA-N 1 3 343.515 2.745 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132298 474335429 /nfs/dbraw/zinc/33/54/29/474335429.db2.gz KDEIQCKENJLRKN-HSALFYBXSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132298 474335438 /nfs/dbraw/zinc/33/54/38/474335438.db2.gz KDEIQCKENJLRKN-HSALFYBXSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132298 474335447 /nfs/dbraw/zinc/33/54/47/474335447.db2.gz KDEIQCKENJLRKN-HSALFYBXSA-N 1 3 332.488 2.540 20 0 EFADHO C[NH2+]CC1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000237097025 474337383 /nfs/dbraw/zinc/33/73/83/474337383.db2.gz KEIHRQLBVPRXQW-UHFFFAOYSA-N 1 3 329.444 2.566 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248485777 474338789 /nfs/dbraw/zinc/33/87/89/474338789.db2.gz KVUDBKFJYAWAER-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](N)Cc2ccccc2)cc1 ZINC000237108465 474339745 /nfs/dbraw/zinc/33/97/45/474339745.db2.gz MTUJEXQGOOWXML-IBGZPJMESA-N 1 3 341.455 2.526 20 0 EFADHO COc1ccc(CN(C)CCC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000283231167 474345369 /nfs/dbraw/zinc/34/53/69/474345369.db2.gz UELIERJQSFGHID-UHFFFAOYSA-N 1 3 341.459 2.619 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270988413 474354230 /nfs/dbraw/zinc/35/42/30/474354230.db2.gz DRXDPSZVOSRHSK-ROUUACIJSA-N 1 3 349.544 2.646 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)N(C)C)cc1 ZINC000237192471 474356328 /nfs/dbraw/zinc/35/63/28/474356328.db2.gz BAQDEZVJPUFCJU-RTBURBONSA-N 1 3 325.456 2.804 20 0 EFADHO COc1ccccc1[C@H]1CC[N@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000283272095 474357004 /nfs/dbraw/zinc/35/70/04/474357004.db2.gz LNBQJLRUPNBPCH-IBGZPJMESA-N 1 3 345.531 2.901 20 0 EFADHO COc1ccccc1[C@H]1CC[N@@H+](CCCN2CCN(C(C)C)CC2)C1 ZINC000283272095 474357008 /nfs/dbraw/zinc/35/70/08/474357008.db2.gz LNBQJLRUPNBPCH-IBGZPJMESA-N 1 3 345.531 2.901 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1Cl ZINC000237199194 474357303 /nfs/dbraw/zinc/35/73/03/474357303.db2.gz NRMXZQKVOTXOJG-UHFFFAOYSA-N 1 3 347.846 2.991 20 0 EFADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCCC1 ZINC000275908926 474359436 /nfs/dbraw/zinc/35/94/36/474359436.db2.gz UELPHIAJUCXPET-OAQYLSRUSA-N 1 3 346.515 2.938 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183257266 474361634 /nfs/dbraw/zinc/36/16/34/474361634.db2.gz VABQETJLLJHTDC-LSDHHAIUSA-N 1 3 325.447 2.889 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000265853089 474362069 /nfs/dbraw/zinc/36/20/69/474362069.db2.gz BHPNVZYGWJKVCX-MSOLQXFVSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000176010861 474363155 /nfs/dbraw/zinc/36/31/55/474363155.db2.gz IQWVAMZCOGFLBK-FHWLQOOXSA-N 1 3 346.519 2.770 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000265866727 474366699 /nfs/dbraw/zinc/36/66/99/474366699.db2.gz UIFMJWCDXCJWGV-ZDUSSCGKSA-N 1 3 334.851 2.816 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000265866727 474366708 /nfs/dbraw/zinc/36/67/08/474366708.db2.gz UIFMJWCDXCJWGV-ZDUSSCGKSA-N 1 3 334.851 2.816 20 0 EFADHO CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237291724 474376091 /nfs/dbraw/zinc/37/60/91/474376091.db2.gz QSXHUIJQYHSJTQ-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237332033 474384376 /nfs/dbraw/zinc/38/43/76/474384376.db2.gz LKVNELMNOAUCTI-YOEHRIQHSA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237332033 474384385 /nfs/dbraw/zinc/38/43/85/474384385.db2.gz LKVNELMNOAUCTI-YOEHRIQHSA-N 1 3 335.517 2.937 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237388247 474394619 /nfs/dbraw/zinc/39/46/19/474394619.db2.gz GBNKFCPKLWKBQM-MBOZVWFJSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237408720 474396837 /nfs/dbraw/zinc/39/68/37/474396837.db2.gz OQHLTSXNKWIMHX-KBAYOESNSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H]1C[NH3+] ZINC000237421998 474399930 /nfs/dbraw/zinc/39/99/30/474399930.db2.gz BUYLHQMDYNCDNQ-HHXXYDBFSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237434702 474402911 /nfs/dbraw/zinc/40/29/11/474402911.db2.gz NXYZTJYUDDAATN-WDYCEAGBSA-N 1 3 347.478 2.766 20 0 EFADHO C[NH+](C)C/C=C/C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283444218 474404694 /nfs/dbraw/zinc/40/46/94/474404694.db2.gz HCDHFEAXZFZQGK-MZEUMTGBSA-N 1 3 329.488 2.521 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000237503129 474417843 /nfs/dbraw/zinc/41/78/43/474417843.db2.gz ZMGVSXQPSJHUSO-MAUKXSAKSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000237503129 474417851 /nfs/dbraw/zinc/41/78/51/474417851.db2.gz ZMGVSXQPSJHUSO-MAUKXSAKSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237529409 474423861 /nfs/dbraw/zinc/42/38/61/474423861.db2.gz GWJXXMHEJWXVED-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000237545604 474426586 /nfs/dbraw/zinc/42/65/86/474426586.db2.gz FBAXKXMVPKMLQY-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237554586 474428299 /nfs/dbraw/zinc/42/82/99/474428299.db2.gz WGUVXNPXTLRABF-GOSISDBHSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237569694 474430880 /nfs/dbraw/zinc/43/08/80/474430880.db2.gz DPCRUQXMQSPCAB-KPFFTGBYSA-N 1 3 329.488 2.545 20 0 EFADHO COC[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000271189215 474431099 /nfs/dbraw/zinc/43/10/99/474431099.db2.gz OUJDFXNCJPYPAN-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO COC[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000271189215 474431108 /nfs/dbraw/zinc/43/11/08/474431108.db2.gz OUJDFXNCJPYPAN-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO CN(C)CCN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000176287681 474431404 /nfs/dbraw/zinc/43/14/04/474431404.db2.gz WTNFLFGFTZNSCX-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H](C)Cc2ccccc2)CC1 ZINC000289808888 474436277 /nfs/dbraw/zinc/43/62/77/474436277.db2.gz SQQNNBKCNUGLMH-IBGZPJMESA-N 1 3 348.531 2.924 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000237601273 474438522 /nfs/dbraw/zinc/43/85/22/474438522.db2.gz QGDBWEJKOJPPEJ-DNVCBOLYSA-N 1 3 329.488 2.846 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCN(C)C)c2)CC1 ZINC000176317611 474439591 /nfs/dbraw/zinc/43/95/91/474439591.db2.gz VVDKREYJGVDXEX-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO COc1cc(OC)cc(N2CCC[N@H+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000271209196 474442412 /nfs/dbraw/zinc/44/24/12/474442412.db2.gz HCVJZEPDGQMGSZ-KRWDZBQOSA-N 1 3 347.503 2.700 20 0 EFADHO COc1cc(OC)cc(N2CCC[N@@H+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000271209196 474442418 /nfs/dbraw/zinc/44/24/18/474442418.db2.gz HCVJZEPDGQMGSZ-KRWDZBQOSA-N 1 3 347.503 2.700 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)N(C)CCN(C)C)CCCC1)c1ccccc1 ZINC000176359219 474451036 /nfs/dbraw/zinc/45/10/36/474451036.db2.gz NPIMONPRCOPUBM-KRWDZBQOSA-N 1 3 346.519 2.853 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000289854147 474454767 /nfs/dbraw/zinc/45/47/67/474454767.db2.gz RHLRWWBIJYDUAT-OWCLPIDISA-N 1 3 336.476 2.941 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237674249 474454953 /nfs/dbraw/zinc/45/49/53/474454953.db2.gz ANCDAVWJLDPFCM-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237674249 474454959 /nfs/dbraw/zinc/45/49/59/474454959.db2.gz ANCDAVWJLDPFCM-QFBILLFUSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237675815 474455052 /nfs/dbraw/zinc/45/50/52/474455052.db2.gz RKCRBSXRYXRVKN-MAUKXSAKSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CSCCN3)cc2)C1 ZINC000237675815 474455056 /nfs/dbraw/zinc/45/50/56/474455056.db2.gz RKCRBSXRYXRVKN-MAUKXSAKSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237687474 474459030 /nfs/dbraw/zinc/45/90/30/474459030.db2.gz XRGDYMBKCUIXFH-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237687474 474459036 /nfs/dbraw/zinc/45/90/36/474459036.db2.gz XRGDYMBKCUIXFH-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237709431 474461192 /nfs/dbraw/zinc/46/11/92/474461192.db2.gz XRGDYMBKCUIXFH-ABSDTBQOSA-N 1 3 343.515 2.923 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000176399397 474463291 /nfs/dbraw/zinc/46/32/91/474463291.db2.gz FWPCUWJCPZRELL-OALUTQOASA-N 1 3 346.519 2.723 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000176408915 474464882 /nfs/dbraw/zinc/46/48/82/474464882.db2.gz MMYUCZZZAGDYDY-MOPGFXCFSA-N 1 3 344.503 2.516 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000176432819 474473967 /nfs/dbraw/zinc/47/39/67/474473967.db2.gz OINKMWOVXIMDMY-SJORKVTESA-N 1 3 336.524 2.518 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000283708021 474475192 /nfs/dbraw/zinc/47/51/92/474475192.db2.gz ZBPQLWSMHMAXLA-LJQANCHMSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248914498 474482030 /nfs/dbraw/zinc/48/20/30/474482030.db2.gz SJYSBEPXYYDXII-VQIMIIECSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248914498 474482035 /nfs/dbraw/zinc/48/20/35/474482035.db2.gz SJYSBEPXYYDXII-VQIMIIECSA-N 1 3 339.524 2.907 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000189785286 474482311 /nfs/dbraw/zinc/48/23/11/474482311.db2.gz PPHVWCYUQIFUGZ-GOSISDBHSA-N 1 3 346.519 2.723 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000189785306 474482422 /nfs/dbraw/zinc/48/24/22/474482422.db2.gz PPHVWCYUQIFUGZ-SFHVURJKSA-N 1 3 346.519 2.723 20 0 EFADHO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000289922521 474486473 /nfs/dbraw/zinc/48/64/73/474486473.db2.gz OQNUGNQSHCXVOI-HFQYIWAZSA-N 1 3 340.414 2.738 20 0 EFADHO CC[C@@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248940534 474487187 /nfs/dbraw/zinc/48/71/87/474487187.db2.gz COGZODBKPYXVSU-YZLZLFLDSA-N 1 3 331.504 2.647 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289924879 474488189 /nfs/dbraw/zinc/48/81/89/474488189.db2.gz NYGADFAROUSSOK-OAQYLSRUSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000271324063 474491078 /nfs/dbraw/zinc/49/10/78/474491078.db2.gz YVADLAIUPJKAKF-AEFFLSMTSA-N 1 3 331.504 2.874 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000237877065 474491386 /nfs/dbraw/zinc/49/13/86/474491386.db2.gz JDUVGNRWGVZXGD-LJQANCHMSA-N 1 3 329.488 2.638 20 0 EFADHO N[C@@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000237881280 474492130 /nfs/dbraw/zinc/49/21/30/474492130.db2.gz ZGEOLXHLMLGTJL-IBGZPJMESA-N 1 3 329.488 2.990 20 0 EFADHO CN(CC[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271331907 474494248 /nfs/dbraw/zinc/49/42/48/474494248.db2.gz VSPJTATZAXRAKQ-SFHVURJKSA-N 1 3 329.488 2.707 20 0 EFADHO CN(CC[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271331907 474494257 /nfs/dbraw/zinc/49/42/57/474494257.db2.gz VSPJTATZAXRAKQ-SFHVURJKSA-N 1 3 329.488 2.707 20 0 EFADHO C[C@H]1CN(Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2)CCO1 ZINC000249035499 474507285 /nfs/dbraw/zinc/50/72/85/474507285.db2.gz SHZOXXPXUNIPKZ-BRIRTLKKSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@H]1CN(Cc2cccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)CCO1 ZINC000249035499 474507288 /nfs/dbraw/zinc/50/72/88/474507288.db2.gz SHZOXXPXUNIPKZ-BRIRTLKKSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@H]1CN(Cc2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)c2)CCO1 ZINC000249035499 474507295 /nfs/dbraw/zinc/50/72/95/474507295.db2.gz SHZOXXPXUNIPKZ-BRIRTLKKSA-N 1 3 343.515 2.622 20 0 EFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237988995 474517070 /nfs/dbraw/zinc/51/70/70/474517070.db2.gz BBJQTJFJANVEAI-MOPGFXCFSA-N 1 3 341.499 2.547 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000266886551 474517373 /nfs/dbraw/zinc/51/73/73/474517373.db2.gz CIOPSYIATQZJAT-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000266886551 474517376 /nfs/dbraw/zinc/51/73/76/474517376.db2.gz CIOPSYIATQZJAT-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(NC)cc1 ZINC000625932760 480109106 /nfs/dbraw/zinc/10/91/06/480109106.db2.gz IUTTYSHJGIFJSZ-SFHVURJKSA-N 1 3 347.507 2.608 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(NC)cc1 ZINC000625932760 480109113 /nfs/dbraw/zinc/10/91/13/480109113.db2.gz IUTTYSHJGIFJSZ-SFHVURJKSA-N 1 3 347.507 2.608 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N(CCN(C)C)c1ccccc1 ZINC000266894022 474519829 /nfs/dbraw/zinc/51/98/29/474519829.db2.gz XFYPMIPZGXTRTQ-UHFFFAOYSA-N 1 3 337.533 2.656 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000238069885 474530116 /nfs/dbraw/zinc/53/01/16/474530116.db2.gz OMFUJXSGWCGZKU-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)N1CCCCC1 ZINC000184509100 474533358 /nfs/dbraw/zinc/53/33/58/474533358.db2.gz ARSDNOBEVSCIQJ-HZPDHXFCSA-N 1 3 328.464 2.577 20 0 EFADHO CCCN(C(=O)[C@H](C)[C@@H](C)[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000249142617 474537472 /nfs/dbraw/zinc/53/74/72/474537472.db2.gz ZPXUBLSXHXNYJX-LMMKCTJWSA-N 1 3 331.504 2.873 20 0 EFADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000284009424 474549152 /nfs/dbraw/zinc/54/91/52/474549152.db2.gz IEGZPWXQVYQMDQ-MSOLQXFVSA-N 1 3 338.517 2.584 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000284009424 474549158 /nfs/dbraw/zinc/54/91/58/474549158.db2.gz IEGZPWXQVYQMDQ-MSOLQXFVSA-N 1 3 338.517 2.584 20 0 EFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)CC1 ZINC000276453445 474549349 /nfs/dbraw/zinc/54/93/49/474549349.db2.gz UTDWNUTYUMMVPV-ICSRJNTNSA-N 1 3 328.504 2.867 20 0 EFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)CC1 ZINC000276453445 474549357 /nfs/dbraw/zinc/54/93/57/474549357.db2.gz UTDWNUTYUMMVPV-ICSRJNTNSA-N 1 3 328.504 2.867 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000271445958 474550400 /nfs/dbraw/zinc/55/04/00/474550400.db2.gz CXMCYAQFCLZTAT-HSALFYBXSA-N 1 3 346.540 2.984 20 0 EFADHO COc1ncccc1CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000290077961 474550434 /nfs/dbraw/zinc/55/04/34/474550434.db2.gz GOAXJLZXPVRAQP-MRXNPFEDSA-N 1 3 343.471 2.924 20 0 EFADHO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1ccccc1 ZINC000249383176 474565004 /nfs/dbraw/zinc/56/50/04/474565004.db2.gz VVQNHAOULAUYNP-IBGZPJMESA-N 1 3 338.455 2.914 20 0 EFADHO C[N@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCC3)CC1 ZINC000284083731 474567194 /nfs/dbraw/zinc/56/71/94/474567194.db2.gz LYDGCCVESCRMAU-UHFFFAOYSA-N 1 3 339.487 2.757 20 0 EFADHO C[N@@H+](Cc1ccccc1)C1CCC(NCc2nnc3n2CCC3)CC1 ZINC000284083731 474567199 /nfs/dbraw/zinc/56/71/99/474567199.db2.gz LYDGCCVESCRMAU-UHFFFAOYSA-N 1 3 339.487 2.757 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000267106015 474590970 /nfs/dbraw/zinc/59/09/70/474590970.db2.gz LZZHINITNIANFE-IBGZPJMESA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)[NH2+]C1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000284225809 474599537 /nfs/dbraw/zinc/59/95/37/474599537.db2.gz UTEDPSAMLRYEBI-OAQYLSRUSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N1CCCCC1 ZINC000184750455 474599913 /nfs/dbraw/zinc/59/99/13/474599913.db2.gz YEMOMDQBXSAMKW-ROUUACIJSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000249794209 474616773 /nfs/dbraw/zinc/61/67/73/474616773.db2.gz WDWDUYDYECHAGP-GJZGRUSLSA-N 1 3 338.540 2.715 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249816182 474618156 /nfs/dbraw/zinc/61/81/56/474618156.db2.gz LEHWWFANJDYPON-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249816182 474618161 /nfs/dbraw/zinc/61/81/61/474618161.db2.gz LEHWWFANJDYPON-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000284348364 474624481 /nfs/dbraw/zinc/62/44/81/474624481.db2.gz MEDVQLDVEKKWDO-OALUTQOASA-N 1 3 343.515 2.876 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000284348364 474624485 /nfs/dbraw/zinc/62/44/85/474624485.db2.gz MEDVQLDVEKKWDO-OALUTQOASA-N 1 3 343.515 2.876 20 0 EFADHO COc1ccc([C@@H](O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000291631989 474636128 /nfs/dbraw/zinc/63/61/28/474636128.db2.gz DHLMCENHNDRNPJ-UYAOXDASSA-N 1 3 332.488 2.925 20 0 EFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000267292421 474639915 /nfs/dbraw/zinc/63/99/15/474639915.db2.gz YGZLZWNMMUEVRZ-CYBMUJFWSA-N 1 3 341.293 2.947 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCSC2)CC1 ZINC000278425825 474641081 /nfs/dbraw/zinc/64/10/81/474641081.db2.gz JEARTQTYKVGPRI-KRWDZBQOSA-N 1 3 349.544 2.502 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)CC1 ZINC000284459472 474643531 /nfs/dbraw/zinc/64/35/31/474643531.db2.gz AHHKVZDGIOMSCE-SFTDATJTSA-N 1 3 345.531 2.912 20 0 EFADHO Cc1cc2ncc([C@H](C)NCC3CC[NH+](C4CC4)CC3)c(C)n2n1 ZINC000278496654 474662282 /nfs/dbraw/zinc/66/22/82/474662282.db2.gz QDRXUNBWUCAGJR-AWEZNQCLSA-N 1 3 327.476 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N1CCCCC1 ZINC000340816320 474687275 /nfs/dbraw/zinc/68/72/75/474687275.db2.gz HPFAFHYPKWHVGM-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N1CCCCC1 ZINC000340816320 474687284 /nfs/dbraw/zinc/68/72/84/474687284.db2.gz HPFAFHYPKWHVGM-QYZOEREBSA-N 1 3 335.536 2.971 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1)C1CCN(C)CC1 ZINC000305097336 474689581 /nfs/dbraw/zinc/68/95/81/474689581.db2.gz VKIJVVMURKLHKG-YLJYHZDGSA-N 1 3 345.531 2.858 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@]1(C)CCOC1)C1CCN(C)CC1 ZINC000344372550 474695456 /nfs/dbraw/zinc/69/54/56/474695456.db2.gz QICLNUMGQWWLME-HXUWFJFHSA-N 1 3 331.504 2.733 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H](N)c2ccccc2)C1 ZINC000252692181 474709726 /nfs/dbraw/zinc/70/97/26/474709726.db2.gz RGNTVPQFPPGVQI-ZHALLVOQSA-N 1 3 331.504 2.951 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000340855355 474720064 /nfs/dbraw/zinc/72/00/64/474720064.db2.gz AMXJXHSYBKORGG-MNEFBYGVSA-N 1 3 346.519 2.634 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)N(C)C)cc1 ZINC000340855355 474720071 /nfs/dbraw/zinc/72/00/71/474720071.db2.gz AMXJXHSYBKORGG-MNEFBYGVSA-N 1 3 346.519 2.634 20 0 EFADHO Cc1cc(Br)cn2c(CNCC3=CC[N@H+](C)CC3)cnc12 ZINC000273115673 474724367 /nfs/dbraw/zinc/72/43/67/474724367.db2.gz YLMNGKYJSMQWJZ-UHFFFAOYSA-N 1 3 349.276 2.757 20 0 EFADHO Cc1cc(Br)cn2c(CNCC3=CC[N@@H+](C)CC3)cnc12 ZINC000273115673 474724379 /nfs/dbraw/zinc/72/43/79/474724379.db2.gz YLMNGKYJSMQWJZ-UHFFFAOYSA-N 1 3 349.276 2.757 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876010 474738864 /nfs/dbraw/zinc/73/88/64/474738864.db2.gz GVQTYSDSSSTJDN-BRWVUGGUSA-N 1 3 349.544 2.835 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876010 474738873 /nfs/dbraw/zinc/73/88/73/474738873.db2.gz GVQTYSDSSSTJDN-BRWVUGGUSA-N 1 3 349.544 2.835 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000267999920 474744685 /nfs/dbraw/zinc/74/46/85/474744685.db2.gz RWIMKELWHCLKFE-VQIMIIECSA-N 1 3 341.499 2.640 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268009695 474750121 /nfs/dbraw/zinc/75/01/21/474750121.db2.gz JSWYPDGMLWCUHJ-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268009695 474750126 /nfs/dbraw/zinc/75/01/26/474750126.db2.gz JSWYPDGMLWCUHJ-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000273172556 474759684 /nfs/dbraw/zinc/75/96/84/474759684.db2.gz FEJAUGASFLPAPC-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000273172556 474759692 /nfs/dbraw/zinc/75/96/92/474759692.db2.gz FEJAUGASFLPAPC-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000340899768 474762436 /nfs/dbraw/zinc/76/24/36/474762436.db2.gz YYRZMOHUGMXHCM-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000340899768 474762439 /nfs/dbraw/zinc/76/24/39/474762439.db2.gz YYRZMOHUGMXHCM-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000273207589 474777780 /nfs/dbraw/zinc/77/77/80/474777780.db2.gz KXTWCYDQAPLPCM-OAHLLOKOSA-N 1 3 335.492 2.869 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000340928439 474786538 /nfs/dbraw/zinc/78/65/38/474786538.db2.gz DKGCIBBXJJQXNF-APWZRJJASA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000340928550 474786991 /nfs/dbraw/zinc/78/69/91/474786991.db2.gz DRVLHGIZGFEPRK-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000340928550 474787000 /nfs/dbraw/zinc/78/70/00/474787000.db2.gz DRVLHGIZGFEPRK-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000340932798 474789609 /nfs/dbraw/zinc/78/96/09/474789609.db2.gz XMAMGEDYDQEVAU-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778089 474790806 /nfs/dbraw/zinc/79/08/06/474790806.db2.gz QVDUWVJFPWOASM-LPHOPBHVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778089 474790818 /nfs/dbraw/zinc/79/08/18/474790818.db2.gz QVDUWVJFPWOASM-LPHOPBHVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778085 474791003 /nfs/dbraw/zinc/79/10/03/474791003.db2.gz QVDUWVJFPWOASM-APWZRJJASA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCN(C2CCC2)C1 ZINC000344778085 474791009 /nfs/dbraw/zinc/79/10/09/474791009.db2.gz QVDUWVJFPWOASM-APWZRJJASA-N 1 3 333.520 2.726 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000623060820 480126135 /nfs/dbraw/zinc/12/61/35/480126135.db2.gz PQTHMRTYJLMFCN-UHFFFAOYSA-N 1 3 330.476 2.744 20 0 EFADHO CSCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000305876760 474802462 /nfs/dbraw/zinc/80/24/62/474802462.db2.gz RQYREURZQXHULZ-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305876760 474802472 /nfs/dbraw/zinc/80/24/72/474802472.db2.gz RQYREURZQXHULZ-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000305876760 474802481 /nfs/dbraw/zinc/80/24/81/474802481.db2.gz RQYREURZQXHULZ-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[NH+]1CCCC1 ZINC000340957630 474817301 /nfs/dbraw/zinc/81/73/01/474817301.db2.gz IPMSGJODBYVJTN-NJAFHUGGSA-N 1 3 338.540 2.669 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309942207 474821386 /nfs/dbraw/zinc/82/13/86/474821386.db2.gz MVKIZTSGWMYASG-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@]1(C[NH2+]Cc2cc(C(N)=O)cs2)CCN(Cc2ccccc2)C1 ZINC000310090394 474823213 /nfs/dbraw/zinc/82/32/13/474823213.db2.gz QSAXCHRIYIHYIH-LJQANCHMSA-N 1 3 343.496 2.849 20 0 EFADHO CC(C)COCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000337247670 474823973 /nfs/dbraw/zinc/82/39/73/474823973.db2.gz KIWRYJNGMBKEMQ-ROUUACIJSA-N 1 3 326.525 2.870 20 0 EFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)NC(C)(C)C ZINC000310519652 474829743 /nfs/dbraw/zinc/82/97/43/474829743.db2.gz NGRMXKKDNQSKGF-BQFCYCMXSA-N 1 3 331.504 2.790 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(COC)CCC2)CC1 ZINC000337252610 474829972 /nfs/dbraw/zinc/82/99/72/474829972.db2.gz LFJOLZZDOYOIGS-UHFFFAOYSA-N 1 3 331.504 2.735 20 0 EFADHO CC[C@@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000337255437 474830426 /nfs/dbraw/zinc/83/04/26/474830426.db2.gz RPBJHXBJJGYLQS-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000345029964 474830957 /nfs/dbraw/zinc/83/09/57/474830957.db2.gz VBKYLRUGZQTCKC-TVFCKZIOSA-N 1 3 331.504 2.884 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310971171 474831024 /nfs/dbraw/zinc/83/10/24/474831024.db2.gz DIIBXSLGQKJKJP-AZUAARDMSA-N 1 3 343.515 2.795 20 0 EFADHO CC[C@H](C)[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000337255434 474831124 /nfs/dbraw/zinc/83/11/24/474831124.db2.gz RPBJHXBJJGYLQS-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO c1cc2c(o1)CCC[C@H]2[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000278797389 474840896 /nfs/dbraw/zinc/84/08/96/474840896.db2.gz QVVVOOZQIHZKOQ-LJQANCHMSA-N 1 3 340.471 2.854 20 0 EFADHO Cc1cc(NC(=O)CC[C@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000292091338 474842316 /nfs/dbraw/zinc/84/23/16/474842316.db2.gz NGWUCCRLBTUEEC-QGZVFWFLSA-N 1 3 345.487 2.940 20 0 EFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000292098329 474845724 /nfs/dbraw/zinc/84/57/24/474845724.db2.gz OAZKRLLCPNNMHI-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO Brc1cnn(CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000312413334 474850008 /nfs/dbraw/zinc/85/00/08/474850008.db2.gz GEMNRJAAIDNLTD-KFWWJZLASA-N 1 3 341.297 2.546 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000340991796 474855513 /nfs/dbraw/zinc/85/55/13/474855513.db2.gz QGNHNHBESSXNNO-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000292142009 474870698 /nfs/dbraw/zinc/87/06/98/474870698.db2.gz SRXUVPPQRZRFHU-MOPGFXCFSA-N 1 3 329.488 2.780 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000317390468 474887468 /nfs/dbraw/zinc/88/74/68/474887468.db2.gz JWDQPILJNCLMRS-XBFCOCLRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000317390468 474887475 /nfs/dbraw/zinc/88/74/75/474887475.db2.gz JWDQPILJNCLMRS-XBFCOCLRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)CN(C)C ZINC000293245942 474889109 /nfs/dbraw/zinc/88/91/09/474889109.db2.gz BJQYUEFMSUDVAY-HZPDHXFCSA-N 1 3 330.476 2.847 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000292184217 474894295 /nfs/dbraw/zinc/89/42/95/474894295.db2.gz WYBMJRZWGNFARH-RTBURBONSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000337328393 474901466 /nfs/dbraw/zinc/90/14/66/474901466.db2.gz DXKZOUSQGXQBBS-FGTMMUONSA-N 1 3 336.524 2.519 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@@H]3CCC[C@H]3O)CC1)CCC2 ZINC000285146107 474905904 /nfs/dbraw/zinc/90/59/04/474905904.db2.gz LZMXQWLEZSOGLI-VAMGGRTRSA-N 1 3 330.472 2.737 20 0 EFADHO CC(C)C[C@H](CN[C@H](C)C[C@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000321009779 474919787 /nfs/dbraw/zinc/91/97/87/474919787.db2.gz SEKOHCCOIUCZKF-GUDVDZBRSA-N 1 3 325.541 2.634 20 0 EFADHO CC(C)C[C@H](CN[C@H](C)C[C@@H]1CCCCC[NH2+]1)N1CCOCC1 ZINC000321009777 474920906 /nfs/dbraw/zinc/92/09/06/474920906.db2.gz SEKOHCCOIUCZKF-CEXWTWQISA-N 1 3 325.541 2.634 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000337354139 474929819 /nfs/dbraw/zinc/92/98/19/474929819.db2.gz CQVXECCPFRXUHY-ZIFCJYIRSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000337354139 474929829 /nfs/dbraw/zinc/92/98/29/474929829.db2.gz CQVXECCPFRXUHY-ZIFCJYIRSA-N 1 3 346.519 2.851 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000322166461 474936551 /nfs/dbraw/zinc/93/65/51/474936551.db2.gz CAHLLIXYHAKEQM-UHFFFAOYSA-N 1 3 332.366 2.915 20 0 EFADHO CO[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000268375287 474946293 /nfs/dbraw/zinc/94/62/93/474946293.db2.gz SVQVYQBFKDMBMY-HXUWFJFHSA-N 1 3 333.520 2.978 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000285263275 474950299 /nfs/dbraw/zinc/95/02/99/474950299.db2.gz JBPWULGUSRHHCE-HXUWFJFHSA-N 1 3 344.547 2.615 20 0 EFADHO CC[C@@H](C)C[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000341088525 474961912 /nfs/dbraw/zinc/96/19/12/474961912.db2.gz RCFUXJYNSSWOAE-CVEARBPZSA-N 1 3 338.540 2.669 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(F)c2cccnc12 ZINC000341097932 474972610 /nfs/dbraw/zinc/97/26/10/474972610.db2.gz BJUCDATYJWRSRF-UHFFFAOYSA-N 1 3 344.478 2.832 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(F)c2cccnc12 ZINC000341097932 474972617 /nfs/dbraw/zinc/97/26/17/474972617.db2.gz BJUCDATYJWRSRF-UHFFFAOYSA-N 1 3 344.478 2.832 20 0 EFADHO COc1cccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285341310 474980359 /nfs/dbraw/zinc/98/03/59/474980359.db2.gz AAMMXHKVSKSUQT-SJPCQFCGSA-N 1 3 331.460 2.581 20 0 EFADHO COc1cccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285341310 474980368 /nfs/dbraw/zinc/98/03/68/474980368.db2.gz AAMMXHKVSKSUQT-SJPCQFCGSA-N 1 3 331.460 2.581 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CC)C1 ZINC000341108805 474981703 /nfs/dbraw/zinc/98/17/03/474981703.db2.gz RVZHSKAAYZATMQ-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CC)C1 ZINC000341108805 474981709 /nfs/dbraw/zinc/98/17/09/474981709.db2.gz RVZHSKAAYZATMQ-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](NC(=O)c1ccc2c(c1)CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577192 474984424 /nfs/dbraw/zinc/98/44/24/474984424.db2.gz CNBLSSDBCAROIJ-OXQOHEQNSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H](NC(=O)c1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577192 474984430 /nfs/dbraw/zinc/98/44/30/474984430.db2.gz CNBLSSDBCAROIJ-OXQOHEQNSA-N 1 3 349.478 2.930 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341112966 474987377 /nfs/dbraw/zinc/98/73/77/474987377.db2.gz APAUURAUPHWQKZ-GVDBMIGSSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000341112966 474987386 /nfs/dbraw/zinc/98/73/86/474987386.db2.gz APAUURAUPHWQKZ-GVDBMIGSSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261597660 474987916 /nfs/dbraw/zinc/98/79/16/474987916.db2.gz AEHNKHBSAHEIQN-YJBOKZPZSA-N 1 3 349.906 2.729 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000341117987 474992947 /nfs/dbraw/zinc/99/29/47/474992947.db2.gz QMMXKKMOGKBSEU-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H](N2CCCCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000341117987 474992953 /nfs/dbraw/zinc/99/29/53/474992953.db2.gz QMMXKKMOGKBSEU-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000261641489 475007807 /nfs/dbraw/zinc/00/78/07/475007807.db2.gz COMVCEQNTQJHSS-SWLSCSKDSA-N 1 3 339.867 2.736 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261647064 475009624 /nfs/dbraw/zinc/00/96/24/475009624.db2.gz JEOGJTORIWNIKW-GUDVDZBRSA-N 1 3 329.488 2.625 20 0 EFADHO CC(C)(C)C(=O)N1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000326948102 475014953 /nfs/dbraw/zinc/01/49/53/475014953.db2.gz ZSARRBSSGHMJCE-UHFFFAOYSA-N 1 3 344.503 2.677 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000268505212 475018072 /nfs/dbraw/zinc/01/80/72/475018072.db2.gz AXJLZNQJEDSWKI-IRXDYDNUSA-N 1 3 327.476 2.783 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000268505212 475018081 /nfs/dbraw/zinc/01/80/81/475018081.db2.gz AXJLZNQJEDSWKI-IRXDYDNUSA-N 1 3 327.476 2.783 20 0 EFADHO CCc1nocc1C[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000339186754 475018708 /nfs/dbraw/zinc/01/87/08/475018708.db2.gz UNHFKFCNWGMILV-UHFFFAOYSA-N 1 3 342.487 2.929 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261722567 475038340 /nfs/dbraw/zinc/03/83/40/475038340.db2.gz KFOOFUIRBFWTRC-XGXHKWSGSA-N 1 3 329.488 2.673 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1OC ZINC000273747924 475039516 /nfs/dbraw/zinc/03/95/16/475039516.db2.gz ORMVSOVQZNFTPD-XIKSMUEASA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1OC ZINC000273747924 475039519 /nfs/dbraw/zinc/03/95/19/475039519.db2.gz ORMVSOVQZNFTPD-XIKSMUEASA-N 1 3 332.488 2.822 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293561577 475040178 /nfs/dbraw/zinc/04/01/78/475040178.db2.gz CVTGDPPTZQXCBK-IBGZPJMESA-N 1 3 347.503 2.542 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261740260 475046507 /nfs/dbraw/zinc/04/65/07/475046507.db2.gz IHQZXOSUXTXXKK-VAMGGRTRSA-N 1 3 343.515 2.732 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@H](N)C3CCOCC3)cc2)CC1 ZINC000261749398 475048665 /nfs/dbraw/zinc/04/86/65/475048665.db2.gz LCBGNFGTQLUFSR-LJQANCHMSA-N 1 3 345.487 2.611 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261749458 475050015 /nfs/dbraw/zinc/05/00/15/475050015.db2.gz HDBXVBUKHLDUIM-HNNXBMFYSA-N 1 3 330.476 2.521 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000337479644 475054585 /nfs/dbraw/zinc/05/45/85/475054585.db2.gz UTVTVLMCABPSGM-MOPGFXCFSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000337479644 475054591 /nfs/dbraw/zinc/05/45/91/475054591.db2.gz UTVTVLMCABPSGM-MOPGFXCFSA-N 1 3 325.541 2.540 20 0 EFADHO CCC1(CC)[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C[C@@H]1OC ZINC000337481241 475056956 /nfs/dbraw/zinc/05/69/56/475056956.db2.gz VVZDDEVOBKDYNP-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261771838 475057342 /nfs/dbraw/zinc/05/73/42/475057342.db2.gz ZEVMFAZUFAESLP-CALCHBBNSA-N 1 3 331.504 2.980 20 0 EFADHO [NH3+]C[C@@H]1CN(CCC(=O)NCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261781051 475059920 /nfs/dbraw/zinc/05/99/20/475059920.db2.gz PNFLAFZHWARIFN-UXHICEINSA-N 1 3 343.515 2.747 20 0 EFADHO NC[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261781051 475059926 /nfs/dbraw/zinc/05/99/26/475059926.db2.gz PNFLAFZHWARIFN-UXHICEINSA-N 1 3 343.515 2.747 20 0 EFADHO NC[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000261781051 475059936 /nfs/dbraw/zinc/05/99/36/475059936.db2.gz PNFLAFZHWARIFN-UXHICEINSA-N 1 3 343.515 2.747 20 0 EFADHO CC[C@@H](COC)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268913154 475067589 /nfs/dbraw/zinc/06/75/89/475067589.db2.gz ZMZDWUUOZLWWSK-FQEVSTJZSA-N 1 3 333.520 2.599 20 0 EFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000268958097 475095124 /nfs/dbraw/zinc/09/51/24/475095124.db2.gz DWZTVDOXNSSWOI-OAHLLOKOSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000281167091 475099069 /nfs/dbraw/zinc/09/90/69/475099069.db2.gz WCONHCUKHPOYIZ-WNSKOXEYSA-N 1 3 338.517 2.579 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000261909570 475109305 /nfs/dbraw/zinc/10/93/05/475109305.db2.gz WGRDBMBEALONOE-LMDPOFIKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)c(Br)c1 ZINC000268981747 475110065 /nfs/dbraw/zinc/11/00/65/475110065.db2.gz KTUATKXTFNHUFJ-NSHDSACASA-N 1 3 345.256 2.696 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996068 475118760 /nfs/dbraw/zinc/11/87/60/475118760.db2.gz NRRITIZUIYXCLV-AQNXPRMDSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996068 475118772 /nfs/dbraw/zinc/11/87/72/475118772.db2.gz NRRITIZUIYXCLV-AQNXPRMDSA-N 1 3 343.515 2.840 20 0 EFADHO CN1CCC(O)(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000269004347 475122953 /nfs/dbraw/zinc/12/29/53/475122953.db2.gz QAIKQHRUUGAQMY-OAHLLOKOSA-N 1 3 344.377 2.619 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc3c2NCC3)CC1 ZINC000261957498 475125955 /nfs/dbraw/zinc/12/59/55/475125955.db2.gz OVUTWDFAIJGZAZ-UHFFFAOYSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000261967564 475130286 /nfs/dbraw/zinc/13/02/86/475130286.db2.gz BVNIHPCRHIQNGR-NLWGTHIKSA-N 1 3 329.488 2.706 20 0 EFADHO C[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000345372759 475136089 /nfs/dbraw/zinc/13/60/89/475136089.db2.gz HFXCPWPKJFFSTC-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccccc1 ZINC000337576865 475144433 /nfs/dbraw/zinc/14/44/33/475144433.db2.gz JJLQMBSMSRSKLW-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCCc1ccccc1 ZINC000337576865 475144442 /nfs/dbraw/zinc/14/44/42/475144442.db2.gz JJLQMBSMSRSKLW-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO Clc1ccc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c(-n2cncn2)c1 ZINC000262037147 475153420 /nfs/dbraw/zinc/15/34/20/475153420.db2.gz XWKVJLQGAGPXMJ-QGZVFWFLSA-N 1 3 345.878 2.885 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000339351099 475153815 /nfs/dbraw/zinc/15/38/15/475153815.db2.gz MHLNENPECYWAHP-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269060816 475154230 /nfs/dbraw/zinc/15/42/30/475154230.db2.gz KDPVTGDZUCQGSN-YLJYHZDGSA-N 1 3 344.503 2.939 20 0 EFADHO CC(C)c1ccc(CCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262061831 475161780 /nfs/dbraw/zinc/16/17/80/475161780.db2.gz RFIGKHHJAYQRCJ-IBGZPJMESA-N 1 3 331.504 2.672 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262129264 475179335 /nfs/dbraw/zinc/17/93/35/475179335.db2.gz KAPVMGRXRFRDBA-MAUKXSAKSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262129264 475179338 /nfs/dbraw/zinc/17/93/38/475179338.db2.gz KAPVMGRXRFRDBA-MAUKXSAKSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000262151862 475185049 /nfs/dbraw/zinc/18/50/49/475185049.db2.gz FZUKDIQYIKKASZ-DNVCBOLYSA-N 1 3 341.455 2.902 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262160017 475187954 /nfs/dbraw/zinc/18/79/54/475187954.db2.gz GVEMRNXYMCTYHD-AZUAARDMSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccc(-c2ncc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cc1 ZINC000262164990 475188164 /nfs/dbraw/zinc/18/81/64/475188164.db2.gz UCLUIJGDEJNLIR-QGZVFWFLSA-N 1 3 342.512 2.598 20 0 EFADHO C[NH2+]CC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000262166939 475189765 /nfs/dbraw/zinc/18/97/65/475189765.db2.gz UKYGEEXDOBHDEL-UHFFFAOYSA-N 1 3 345.256 2.898 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccc(C3CC3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262262500 475209156 /nfs/dbraw/zinc/20/91/56/475209156.db2.gz RHYMTWPOHVZQOW-FXAWDEMLSA-N 1 3 341.499 2.644 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341658703 475209822 /nfs/dbraw/zinc/20/98/22/475209822.db2.gz WMXYIXUNMCNVJZ-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341658703 475209828 /nfs/dbraw/zinc/20/98/28/475209828.db2.gz WMXYIXUNMCNVJZ-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000262288426 475215086 /nfs/dbraw/zinc/21/50/86/475215086.db2.gz GIIOXRDSHZROLP-MJGOQNOKSA-N 1 3 335.492 2.712 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCC(C)CC1 ZINC000339439067 475217752 /nfs/dbraw/zinc/21/77/52/475217752.db2.gz SOADLQRECXGNPW-KRWDZBQOSA-N 1 3 338.540 2.718 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000361174417 475244753 /nfs/dbraw/zinc/24/47/53/475244753.db2.gz AUAVGSZBBGIIDR-NWDGAFQWSA-N 1 3 329.897 2.640 20 0 EFADHO CN(CCCN1CCN(c2ccccc2)CC1)CCC[NH+]1CCCC1 ZINC000352394893 475250996 /nfs/dbraw/zinc/25/09/96/475250996.db2.gz WFMHFJDSJNGMLN-UHFFFAOYSA-N 1 3 344.547 2.616 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1CC[NH+](CC)CC1)c1ccccc1 ZINC000339503263 475259133 /nfs/dbraw/zinc/25/91/33/475259133.db2.gz GTHZKHXHZVWPSG-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000357923688 475265757 /nfs/dbraw/zinc/26/57/57/475265757.db2.gz UHBRSHDSNITUHM-DLBZAZTESA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000357923688 475265765 /nfs/dbraw/zinc/26/57/65/475265765.db2.gz UHBRSHDSNITUHM-DLBZAZTESA-N 1 3 334.508 2.535 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000296328046 475271662 /nfs/dbraw/zinc/27/16/62/475271662.db2.gz HOLYFCHSCKEAOE-CVEARBPZSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296328046 475271667 /nfs/dbraw/zinc/27/16/67/475271667.db2.gz HOLYFCHSCKEAOE-CVEARBPZSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000358008452 475331375 /nfs/dbraw/zinc/33/13/75/475331375.db2.gz SVRBDGMHSIBPKL-LJQANCHMSA-N 1 3 345.531 2.994 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000347397490 475296100 /nfs/dbraw/zinc/29/61/00/475296100.db2.gz ZCBICJKAVTVZTH-INIZCTEOSA-N 1 3 340.895 2.662 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000296409883 475303244 /nfs/dbraw/zinc/30/32/44/475303244.db2.gz LYGXSTLNYJRSIA-LPHOPBHVSA-N 1 3 333.545 2.665 20 0 EFADHO CSC1c2cc(-c3noc([C@@H]4C[N@H+](C)C[C@H]4C)n3)ccc2NC1=O ZINC000361254371 475306229 /nfs/dbraw/zinc/30/62/29/475306229.db2.gz XUKZEIYTVGGVFL-IUPBHXKESA-N 1 3 344.440 2.758 20 0 EFADHO CSC1c2cc(-c3noc([C@@H]4C[N@@H+](C)C[C@H]4C)n3)ccc2NC1=O ZINC000361254371 475306233 /nfs/dbraw/zinc/30/62/33/475306233.db2.gz XUKZEIYTVGGVFL-IUPBHXKESA-N 1 3 344.440 2.758 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000345623941 475313989 /nfs/dbraw/zinc/31/39/89/475313989.db2.gz DWQCWMZMHLZNKX-UHFFFAOYSA-N 1 3 331.460 2.956 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000345623941 475313996 /nfs/dbraw/zinc/31/39/96/475313996.db2.gz DWQCWMZMHLZNKX-UHFFFAOYSA-N 1 3 331.460 2.956 20 0 EFADHO Cc1ccc(CCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cn1 ZINC000354651962 475318100 /nfs/dbraw/zinc/31/81/00/475318100.db2.gz RAWANUBJCDWYIA-UHFFFAOYSA-N 1 3 344.547 2.672 20 0 EFADHO CC[N@H+](CCN1CCCOCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361281918 475323729 /nfs/dbraw/zinc/32/37/29/475323729.db2.gz QPSNJWOMKUUTNT-FPOVZHCZSA-N 1 3 345.531 2.866 20 0 EFADHO CC[N@@H+](CCN1CCCOCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000361281918 475323736 /nfs/dbraw/zinc/32/37/36/475323736.db2.gz QPSNJWOMKUUTNT-FPOVZHCZSA-N 1 3 345.531 2.866 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000354663191 475324124 /nfs/dbraw/zinc/32/41/24/475324124.db2.gz NUSFXNXQSZJECF-SLFFLAALSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1C[C@@H](C)[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000358004997 475328123 /nfs/dbraw/zinc/32/81/23/475328123.db2.gz MGCXIAYLIJYBCX-CTNGQTDRSA-N 1 3 344.547 2.519 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000358008448 475330408 /nfs/dbraw/zinc/33/04/08/475330408.db2.gz SVRBDGMHSIBPKL-IBGZPJMESA-N 1 3 345.531 2.994 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000354700822 475345654 /nfs/dbraw/zinc/34/56/54/475345654.db2.gz SBZQFBZXRGBNMS-IBGZPJMESA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705527 475348268 /nfs/dbraw/zinc/34/82/68/475348268.db2.gz LKNGOVQLOQKTMP-HCXYKTFWSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705527 475348274 /nfs/dbraw/zinc/34/82/74/475348274.db2.gz LKNGOVQLOQKTMP-HCXYKTFWSA-N 1 3 337.552 2.980 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000352503631 475358612 /nfs/dbraw/zinc/35/86/12/475358612.db2.gz IKIAQCXYXJVUPZ-AWEZNQCLSA-N 1 3 339.867 2.881 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345684340 475363959 /nfs/dbraw/zinc/36/39/59/475363959.db2.gz DEERMLDRHMOHSJ-BBRMVZONSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345684340 475363964 /nfs/dbraw/zinc/36/39/64/475363964.db2.gz DEERMLDRHMOHSJ-BBRMVZONSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000361336834 475365978 /nfs/dbraw/zinc/36/59/78/475365978.db2.gz WEPLKOFIKDYRKQ-HNAYVOBHSA-N 1 3 348.535 2.565 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCCN2CC)[C@H](C)C1 ZINC000361340399 475369040 /nfs/dbraw/zinc/36/90/40/475369040.db2.gz DDIHRWALZRDKFW-QRVBRYPASA-N 1 3 325.541 2.587 20 0 EFADHO CCOc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361347775 475373258 /nfs/dbraw/zinc/37/32/58/475373258.db2.gz YVPWJTYDMURFSP-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO CCc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361352304 475378265 /nfs/dbraw/zinc/37/82/65/475378265.db2.gz PFOYFJJUEXRTRN-MRXNPFEDSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@H]1C[C@H](NCCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000361352982 475380215 /nfs/dbraw/zinc/38/02/15/475380215.db2.gz GPPMLPIAKAIIMV-FUHWJXTLSA-N 1 3 331.504 2.934 20 0 EFADHO C[C@H]1C[C@H](NCCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000361352982 475380222 /nfs/dbraw/zinc/38/02/22/475380222.db2.gz GPPMLPIAKAIIMV-FUHWJXTLSA-N 1 3 331.504 2.934 20 0 EFADHO CC1CC[NH+]([C@@H](CNC(=O)[C@H](N)CC(F)F)c2ccccc2)CC1 ZINC000345704638 475380341 /nfs/dbraw/zinc/38/03/41/475380341.db2.gz FHDZLLFMLOJPRZ-CVEARBPZSA-N 1 3 339.430 2.558 20 0 EFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882253 475380839 /nfs/dbraw/zinc/38/08/39/475380839.db2.gz KGPXBLZZTOOSJC-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882253 475380840 /nfs/dbraw/zinc/38/08/40/475380840.db2.gz KGPXBLZZTOOSJC-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000358082059 475384045 /nfs/dbraw/zinc/38/40/45/475384045.db2.gz VRMYBBNPHBJCPU-TVRKMHQQSA-N 1 3 348.535 2.543 20 0 EFADHO C[C@@H](NC(=O)N1CCN(C2CCC(C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000358082059 475384054 /nfs/dbraw/zinc/38/40/54/475384054.db2.gz VRMYBBNPHBJCPU-TVRKMHQQSA-N 1 3 348.535 2.543 20 0 EFADHO CCN1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H](C)C1 ZINC000358084101 475385772 /nfs/dbraw/zinc/38/57/72/475385772.db2.gz LYWIBIDSOYLUOF-DZKIICNBSA-N 1 3 335.879 2.765 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)CC(F)F)CCCC1)c1ccccc1 ZINC000345718617 475391262 /nfs/dbraw/zinc/39/12/62/475391262.db2.gz SVPNQILAMIUSKG-UKRRQHHQSA-N 1 3 339.430 2.749 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358092015 475393224 /nfs/dbraw/zinc/39/32/24/475393224.db2.gz JFQQEUPDRDELPA-QGZVFWFLSA-N 1 3 338.540 2.646 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358113995 475412306 /nfs/dbraw/zinc/41/23/06/475412306.db2.gz QDBAXPVBHZWRMO-JZXOWHBKSA-N 1 3 348.535 2.589 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)C1=CCN(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358113995 475412312 /nfs/dbraw/zinc/41/23/12/475412312.db2.gz QDBAXPVBHZWRMO-JZXOWHBKSA-N 1 3 348.535 2.589 20 0 EFADHO C[C@H]([NH2+][C@H](CO)CC(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348138603 475420780 /nfs/dbraw/zinc/42/07/80/475420780.db2.gz FYADVGOPSMZRDD-IMJJTQAJSA-N 1 3 330.394 2.800 20 0 EFADHO CCN(CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000361421019 475435741 /nfs/dbraw/zinc/43/57/41/475435741.db2.gz DRWKQLGUBPNAPE-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](CNC(=O)N1CCC(CC[NH+](C)C)CC1)N1CCCC[C@@H]1C ZINC000339740748 475459830 /nfs/dbraw/zinc/45/98/30/475459830.db2.gz RZLXBEXKVXRYDK-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)N1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000339740685 475459976 /nfs/dbraw/zinc/45/99/76/475459976.db2.gz PJRPXJJBNITOTQ-KURKYZTESA-N 1 3 338.540 2.671 20 0 EFADHO C[N@@H+](Cc1cccc(C(N)=O)c1)CC1CCN(c2ccncc2)CC1 ZINC000354879637 475486696 /nfs/dbraw/zinc/48/66/96/475486696.db2.gz QSFMRQWQHZEITP-UHFFFAOYSA-N 1 3 338.455 2.529 20 0 EFADHO C[N@H+](Cc1cccc(C(N)=O)c1)CC1CCN(c2ccncc2)CC1 ZINC000354879637 475486705 /nfs/dbraw/zinc/48/67/05/475486705.db2.gz QSFMRQWQHZEITP-UHFFFAOYSA-N 1 3 338.455 2.529 20 0 EFADHO C[C@@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345834712 475491978 /nfs/dbraw/zinc/49/19/78/475491978.db2.gz KJKUDQGUAAAANV-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CCNC(=O)N1CC[C@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345834705 475492712 /nfs/dbraw/zinc/49/27/12/475492712.db2.gz KJKUDQGUAAAANV-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)CC[NH+]1CCC(CNCc2cnn(CC(F)F)c2)CC1 ZINC000352651847 475493261 /nfs/dbraw/zinc/49/32/61/475493261.db2.gz JKQJKIMOAXBKCW-UHFFFAOYSA-N 1 3 328.451 2.996 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352655122 475497264 /nfs/dbraw/zinc/49/72/64/475497264.db2.gz GGYFIHKBSJLIGI-HLNWXESRSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352655122 475497267 /nfs/dbraw/zinc/49/72/67/475497267.db2.gz GGYFIHKBSJLIGI-HLNWXESRSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N3CCCC[C@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000338013700 475506475 /nfs/dbraw/zinc/50/64/75/475506475.db2.gz GHMWTLKCIINJFN-RSPOEFSDSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N3CCCC[C@H]23)CC[N@H+]1Cc1ccccc1 ZINC000338013700 475506483 /nfs/dbraw/zinc/50/64/83/475506483.db2.gz GHMWTLKCIINJFN-RSPOEFSDSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345858251 475515533 /nfs/dbraw/zinc/51/55/33/475515533.db2.gz XZTGCOQIKLTOLM-MRXNPFEDSA-N 1 3 338.455 2.709 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000345858251 475515541 /nfs/dbraw/zinc/51/55/41/475515541.db2.gz XZTGCOQIKLTOLM-MRXNPFEDSA-N 1 3 338.455 2.709 20 0 EFADHO CCN(Cc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000338026784 475519360 /nfs/dbraw/zinc/51/93/60/475519360.db2.gz GPGNZJRZCMJWJE-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000358257180 475534891 /nfs/dbraw/zinc/53/48/91/475534891.db2.gz DLYNFTXKHZQDID-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000352711337 475552958 /nfs/dbraw/zinc/55/29/58/475552958.db2.gz AYQAXLCIHDECSU-AEFFLSMTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000352711337 475552961 /nfs/dbraw/zinc/55/29/61/475552961.db2.gz AYQAXLCIHDECSU-AEFFLSMTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1cc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc(C)c1F ZINC000346061672 475555592 /nfs/dbraw/zinc/55/55/92/475555592.db2.gz AODFMVCAOJTTPB-HZPDHXFCSA-N 1 3 335.467 2.681 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000361571599 475557273 /nfs/dbraw/zinc/55/72/73/475557273.db2.gz MWLVPOPYIGNZCZ-HXUWFJFHSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000361571599 475557283 /nfs/dbraw/zinc/55/72/83/475557283.db2.gz MWLVPOPYIGNZCZ-HXUWFJFHSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339851692 475560860 /nfs/dbraw/zinc/56/08/60/475560860.db2.gz UBGCNEXKVQQQKV-YQVWRLOYSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000339851692 475560864 /nfs/dbraw/zinc/56/08/64/475560864.db2.gz UBGCNEXKVQQQKV-YQVWRLOYSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000358299847 475572721 /nfs/dbraw/zinc/57/27/21/475572721.db2.gz ULJXGKKMMMVYLN-KRWDZBQOSA-N 1 3 348.491 2.623 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000358299847 475572727 /nfs/dbraw/zinc/57/27/27/475572727.db2.gz ULJXGKKMMMVYLN-KRWDZBQOSA-N 1 3 348.491 2.623 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000358305083 475576766 /nfs/dbraw/zinc/57/67/66/475576766.db2.gz HJXYUUPCOVQFEQ-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348317527 475587493 /nfs/dbraw/zinc/58/74/93/475587493.db2.gz WSMIVIJDEXRGAW-GIVPXCGWSA-N 1 3 348.531 2.663 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348317527 475587503 /nfs/dbraw/zinc/58/75/03/475587503.db2.gz WSMIVIJDEXRGAW-GIVPXCGWSA-N 1 3 348.531 2.663 20 0 EFADHO c1ccc(CN2C[C@@H]3C[NH+](CCO[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348321997 475590694 /nfs/dbraw/zinc/59/06/94/475590694.db2.gz OHZZOBRJPMEZLA-SLFFLAALSA-N 1 3 330.472 2.593 20 0 EFADHO Cc1cc([C@H](C)[NH2+]CC2(O)CCN(C)CC2)sc1Br ZINC000352760565 475596709 /nfs/dbraw/zinc/59/67/09/475596709.db2.gz QKLCIMHEIIWZKO-NSHDSACASA-N 1 3 347.322 2.926 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000352763659 475598085 /nfs/dbraw/zinc/59/80/85/475598085.db2.gz QEXSTYBRWBJETM-SJLPKXTDSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000352763659 475598092 /nfs/dbraw/zinc/59/80/92/475598092.db2.gz QEXSTYBRWBJETM-SJLPKXTDSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352763659 475598100 /nfs/dbraw/zinc/59/81/00/475598100.db2.gz QEXSTYBRWBJETM-SJLPKXTDSA-N 1 3 331.504 2.791 20 0 EFADHO CN(C)[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000297074195 475599481 /nfs/dbraw/zinc/59/94/81/475599481.db2.gz YYGDAZJIERXYDT-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000346442108 475602553 /nfs/dbraw/zinc/60/25/53/475602553.db2.gz LXJUTWFICPUTHF-AZUAARDMSA-N 1 3 331.504 2.746 20 0 EFADHO CN(C)[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000361623260 475606098 /nfs/dbraw/zinc/60/60/98/475606098.db2.gz UGPGXVIFWFMKMU-SFHVURJKSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346496954 475611823 /nfs/dbraw/zinc/61/18/23/475611823.db2.gz WQEXWHJLRGYEAO-FPOVZHCZSA-N 1 3 345.531 2.742 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000348370312 475623687 /nfs/dbraw/zinc/62/36/87/475623687.db2.gz FUPLYAZOIQVEKW-RTBURBONSA-N 1 3 346.519 2.771 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000348370312 475623691 /nfs/dbraw/zinc/62/36/91/475623691.db2.gz FUPLYAZOIQVEKW-RTBURBONSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)N2CCOc3ccccc32)CC1 ZINC000348373106 475625670 /nfs/dbraw/zinc/62/56/70/475625670.db2.gz VRXPHSKWPJVMBX-UHFFFAOYSA-N 1 3 345.487 2.608 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)N1CCc2ccccc2C1 ZINC000342698475 475627892 /nfs/dbraw/zinc/62/78/92/475627892.db2.gz UILVRPCFDIFUDC-DBVUQKKJSA-N 1 3 343.515 2.574 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000339948062 475633351 /nfs/dbraw/zinc/63/33/51/475633351.db2.gz VWKBCWXYIWKOOO-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH+](CC)CC)N(C)C)cc1 ZINC000339948629 475633531 /nfs/dbraw/zinc/63/35/31/475633531.db2.gz ZNYBZFOXCHSEOH-QFBILLFUSA-N 1 3 348.535 2.881 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1)C1CC1 ZINC000352804440 475639517 /nfs/dbraw/zinc/63/95/17/475639517.db2.gz DMTYGNFGPFBUOZ-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1)C1CC1 ZINC000352804440 475639523 /nfs/dbraw/zinc/63/95/23/475639523.db2.gz DMTYGNFGPFBUOZ-FXAWDEMLSA-N 1 3 341.499 2.837 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H]1C ZINC000358428270 475671654 /nfs/dbraw/zinc/67/16/54/475671654.db2.gz DBMXUBHQMJUTKV-IZBJGVDFSA-N 1 3 345.531 2.690 20 0 EFADHO CCN(C(=O)N[C@@H](C)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355110665 475672576 /nfs/dbraw/zinc/67/25/76/475672576.db2.gz WOVSMSDVZMARJH-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO Brc1cnn(CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)c1 ZINC000355110105 475673066 /nfs/dbraw/zinc/67/30/66/475673066.db2.gz GCQQUIDYNNIMOH-GJZGRUSLSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000355110105 475673052 /nfs/dbraw/zinc/67/30/52/475673052.db2.gz GCQQUIDYNNIMOH-GJZGRUSLSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000355110105 475673061 /nfs/dbraw/zinc/67/30/61/475673061.db2.gz GCQQUIDYNNIMOH-GJZGRUSLSA-N 1 3 341.297 2.642 20 0 EFADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355110662 475673471 /nfs/dbraw/zinc/67/34/71/475673471.db2.gz WOVSMSDVZMARJH-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000355116942 475678232 /nfs/dbraw/zinc/67/82/32/475678232.db2.gz YIWHDAVQFQYDQA-APWZRJJASA-N 1 3 346.519 2.890 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000353016708 475681973 /nfs/dbraw/zinc/68/19/73/475681973.db2.gz FDQTZHTYYYPBQE-LJQANCHMSA-N 1 3 346.519 2.805 20 0 EFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)Cc2ccccc2C1 ZINC000361722624 475697568 /nfs/dbraw/zinc/69/75/68/475697568.db2.gz AHCHGLFCDYSXPX-UHFFFAOYSA-N 1 3 349.478 2.760 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@@H](C)C1 ZINC000346628252 475714086 /nfs/dbraw/zinc/71/40/86/475714086.db2.gz DVRLBXMDUAYIBF-JTDSTZFVSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000358496574 475724014 /nfs/dbraw/zinc/72/40/14/475724014.db2.gz JHBVMPIEUVGNFX-APWZRJJASA-N 1 3 348.535 2.737 20 0 EFADHO COc1ncc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1Cl ZINC000297373700 475730884 /nfs/dbraw/zinc/73/08/84/475730884.db2.gz HXVOIZZSRBNTJZ-UHFFFAOYSA-N 1 3 332.835 2.897 20 0 EFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC2(C1)CC[NH2+]CC2 ZINC000358507782 475734443 /nfs/dbraw/zinc/73/44/43/475734443.db2.gz LHJXEBFRIQODDS-OAHLLOKOSA-N 1 3 338.455 2.637 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000358509895 475736096 /nfs/dbraw/zinc/73/60/96/475736096.db2.gz RCVXCBPPYQFRCA-LJQANCHMSA-N 1 3 347.478 2.715 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358510634 475736319 /nfs/dbraw/zinc/73/63/19/475736319.db2.gz SHDLPVQPKHEWNH-GOSISDBHSA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000361778592 475745253 /nfs/dbraw/zinc/74/52/53/475745253.db2.gz HDJFIOQRINOHIV-KSZLIROESA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000361778592 475745257 /nfs/dbraw/zinc/74/52/57/475745257.db2.gz HDJFIOQRINOHIV-KSZLIROESA-N 1 3 338.540 2.765 20 0 EFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000346684435 475762273 /nfs/dbraw/zinc/76/22/73/475762273.db2.gz PSISSGIKPAELKG-UHFFFAOYSA-N 1 3 342.443 2.627 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201649 475766417 /nfs/dbraw/zinc/76/64/17/475766417.db2.gz HDCHCMOWRFFBNY-DSKINZAPSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201649 475766424 /nfs/dbraw/zinc/76/64/24/475766424.db2.gz HDCHCMOWRFFBNY-DSKINZAPSA-N 1 3 343.515 2.875 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343098937 475766953 /nfs/dbraw/zinc/76/69/53/475766953.db2.gz SSXMDRQKVVONLT-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000338308046 475767354 /nfs/dbraw/zinc/76/73/54/475767354.db2.gz BCGACGNKFVQZBU-KRWDZBQOSA-N 1 3 326.529 2.525 20 0 EFADHO OC[C@@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000297471326 475770888 /nfs/dbraw/zinc/77/08/88/475770888.db2.gz RDJQWHZVFPITRX-SFTDATJTSA-N 1 3 337.467 2.806 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000338314215 475775728 /nfs/dbraw/zinc/77/57/28/475775728.db2.gz IHYJOPCTQOBOJR-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000338314215 475775732 /nfs/dbraw/zinc/77/57/32/475775732.db2.gz IHYJOPCTQOBOJR-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000348618708 475780212 /nfs/dbraw/zinc/78/02/12/475780212.db2.gz ALEKQXNNMJEBKP-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000348618708 475780218 /nfs/dbraw/zinc/78/02/18/475780218.db2.gz ALEKQXNNMJEBKP-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000355289367 475802676 /nfs/dbraw/zinc/80/26/76/475802676.db2.gz JKZZBRKIBWKDNQ-HXUWFJFHSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000355289367 475802681 /nfs/dbraw/zinc/80/26/81/475802681.db2.gz JKZZBRKIBWKDNQ-HXUWFJFHSA-N 1 3 331.504 2.565 20 0 EFADHO CCOC(=O)[C@@](C)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297564232 475810391 /nfs/dbraw/zinc/81/03/91/475810391.db2.gz BIGGAICKGTWTKB-FQEVSTJZSA-N 1 3 330.472 2.724 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]C[C@H]3CCCOC3)CC2)c1 ZINC000343154247 475814084 /nfs/dbraw/zinc/81/40/84/475814084.db2.gz PQSYBYGBKNJMHL-HXUWFJFHSA-N 1 3 345.531 2.913 20 0 EFADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000348711140 475828817 /nfs/dbraw/zinc/82/88/17/475828817.db2.gz FOTLLDAOIQYSSE-LJQANCHMSA-N 1 3 331.504 2.828 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340179833 475829729 /nfs/dbraw/zinc/82/97/29/475829729.db2.gz FLXDKXFFFXMFTO-PWRODBHTSA-N 1 3 345.531 2.768 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340179833 475829733 /nfs/dbraw/zinc/82/97/33/475829733.db2.gz FLXDKXFFFXMFTO-PWRODBHTSA-N 1 3 345.531 2.768 20 0 EFADHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340186483 475836350 /nfs/dbraw/zinc/83/63/50/475836350.db2.gz VFDMCPDZMUMBII-MRLCAUJQSA-N 1 3 344.565 2.547 20 0 EFADHO COc1ccc2oc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)c(C)c2c1 ZINC000361880921 475836408 /nfs/dbraw/zinc/83/64/08/475836408.db2.gz PZVOYRWGMWODQI-CQSZACIVSA-N 1 3 332.444 2.857 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000353284842 475836890 /nfs/dbraw/zinc/83/68/90/475836890.db2.gz GUPMVCDEPIMQJR-MRXNPFEDSA-N 1 3 329.492 2.630 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000353295809 475846141 /nfs/dbraw/zinc/84/61/41/475846141.db2.gz OIDFRITXKWBWEZ-IRXDYDNUSA-N 1 3 346.519 2.899 20 0 EFADHO CC[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1Br ZINC000361893952 475849552 /nfs/dbraw/zinc/84/95/52/475849552.db2.gz SOHOTISNWXXVLR-OAHLLOKOSA-N 1 3 341.293 2.947 20 0 EFADHO Cc1nccn1CCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000348755033 475850522 /nfs/dbraw/zinc/85/05/22/475850522.db2.gz FBPFSAGMKACOTI-IBGZPJMESA-N 1 3 327.476 2.621 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cn(C(C)C)nc2C)[C@@H](C)C1 ZINC000361897805 475852085 /nfs/dbraw/zinc/85/20/85/475852085.db2.gz WHDHMKSZXGDKEK-QFBILLFUSA-N 1 3 336.524 2.999 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000358689240 475861307 /nfs/dbraw/zinc/86/13/07/475861307.db2.gz LLVMVLVFNXWNSS-SJORKVTESA-N 1 3 344.503 2.544 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)nn1 ZINC000333252248 475884380 /nfs/dbraw/zinc/88/43/80/475884380.db2.gz HBAMRAMOYRKITM-WJFTUGDTSA-N 1 3 343.519 2.654 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)nn1 ZINC000333252249 475884512 /nfs/dbraw/zinc/88/45/12/475884512.db2.gz HBAMRAMOYRKITM-ZSYWTGECSA-N 1 3 343.519 2.654 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346825073 475888511 /nfs/dbraw/zinc/88/85/11/475888511.db2.gz AJCOFHPLQVFJJC-BMGDILEWSA-N 1 3 326.444 2.645 20 0 EFADHO CC[N@H+](CCC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1)CC(C)C ZINC000358739922 475897926 /nfs/dbraw/zinc/89/79/26/475897926.db2.gz GMPLQDCGHVFMRX-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC[N@@H+](CCC1CCN([C@@H]2CCN(C3CC3)C2=O)CC1)CC(C)C ZINC000358739922 475897929 /nfs/dbraw/zinc/89/79/29/475897929.db2.gz GMPLQDCGHVFMRX-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)s1 ZINC000333319178 475903633 /nfs/dbraw/zinc/90/36/33/475903633.db2.gz UCKDSLUCYJFLTM-SIVJFFJCSA-N 1 3 341.908 2.699 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000355407002 475907574 /nfs/dbraw/zinc/90/75/74/475907574.db2.gz CZKODMXWRGSYOX-QWFCFKBJSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000355407002 475907580 /nfs/dbraw/zinc/90/75/80/475907580.db2.gz CZKODMXWRGSYOX-QWFCFKBJSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000340281684 475913965 /nfs/dbraw/zinc/91/39/65/475913965.db2.gz WZHFCIWFDRPLFL-JZXOWHBKSA-N 1 3 326.525 2.605 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000355413206 475914246 /nfs/dbraw/zinc/91/42/46/475914246.db2.gz PWIAKIKXCXLSOC-SCTDSRPQSA-N 1 3 329.488 2.813 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000333363217 475914881 /nfs/dbraw/zinc/91/48/81/475914881.db2.gz TWSPBBAJPBOSKB-UHFFFAOYSA-N 1 3 328.460 2.818 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355412752 475915472 /nfs/dbraw/zinc/91/54/72/475915472.db2.gz FAZIYPWQCPITPH-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000355412752 475915477 /nfs/dbraw/zinc/91/54/77/475915477.db2.gz FAZIYPWQCPITPH-ZWKOTPCHSA-N 1 3 338.540 2.671 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000358771803 475923677 /nfs/dbraw/zinc/92/36/77/475923677.db2.gz WUTMGFIMDCKQPB-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000338466132 475933067 /nfs/dbraw/zinc/93/30/67/475933067.db2.gz RBNIZWDPJPOMOH-HOTGVXAUSA-N 1 3 338.540 2.526 20 0 EFADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H]2CCC[C@@H]21 ZINC000353403043 475941119 /nfs/dbraw/zinc/94/11/19/475941119.db2.gz LHEOFXYZKXHYSI-OHFALNGGSA-N 1 3 347.890 2.908 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338484835 475947881 /nfs/dbraw/zinc/94/78/81/475947881.db2.gz RGICSWGLCCIOKO-SCTDSRPQSA-N 1 3 346.519 2.851 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(C)C ZINC000362034283 475952118 /nfs/dbraw/zinc/95/21/18/475952118.db2.gz XQADYXCHOFJXEZ-NZSAHSFTSA-N 1 3 337.552 2.728 20 0 EFADHO CCC[N@H+](Cc1ccccc1N1CCN(CC)CC1)CC(C)(C)O ZINC000353423688 475955046 /nfs/dbraw/zinc/95/50/46/475955046.db2.gz RCZBCKCEGOLRHK-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO CCC[N@@H+](Cc1ccccc1N1CCN(CC)CC1)CC(C)(C)O ZINC000353423688 475955054 /nfs/dbraw/zinc/95/50/54/475955054.db2.gz RCZBCKCEGOLRHK-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000338498749 475958522 /nfs/dbraw/zinc/95/85/22/475958522.db2.gz WYIQRQPCYPIRMI-IEBWSBKVSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000298043897 475963297 /nfs/dbraw/zinc/96/32/97/475963297.db2.gz HPTYEKZKZNGEMM-DAABDDCCSA-N 1 3 343.515 2.969 20 0 EFADHO C[C@H]1CN(c2ccccc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000298043897 475963305 /nfs/dbraw/zinc/96/33/05/475963305.db2.gz HPTYEKZKZNGEMM-DAABDDCCSA-N 1 3 343.515 2.969 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000355470931 475966796 /nfs/dbraw/zinc/96/67/96/475966796.db2.gz HDRDCCVXQSVDCI-QGZVFWFLSA-N 1 3 344.503 2.518 20 0 EFADHO C[C@@H]1CC2(CN1Cc1nc(-c3ccc(F)cc3)no1)CC[NH2+]CC2 ZINC000333567351 475969296 /nfs/dbraw/zinc/96/92/96/475969296.db2.gz LWRFWMMPWLAHLI-CYBMUJFWSA-N 1 3 330.407 2.840 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000355478760 475971450 /nfs/dbraw/zinc/97/14/50/475971450.db2.gz WYCRGIYFAPASHV-QGZVFWFLSA-N 1 3 344.503 2.518 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000353445567 475974061 /nfs/dbraw/zinc/97/40/61/475974061.db2.gz IPZDAZUYFSZPOC-UFYCRDLUSA-N 1 3 343.515 2.791 20 0 EFADHO CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362077840 475981588 /nfs/dbraw/zinc/98/15/88/475981588.db2.gz KEPUTWOQSAAIHO-IEBWSBKVSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000362077840 475981594 /nfs/dbraw/zinc/98/15/94/475981594.db2.gz KEPUTWOQSAAIHO-IEBWSBKVSA-N 1 3 331.504 2.543 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000353454284 475983251 /nfs/dbraw/zinc/98/32/51/475983251.db2.gz UIMOFGIPJRCHDW-ZYSHUDEJSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)C[C@@H](CN(C)C)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000353459283 475986464 /nfs/dbraw/zinc/98/64/64/475986464.db2.gz LVDLCAIHSAIOLX-IBGZPJMESA-N 1 3 345.531 2.935 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000353464752 475991221 /nfs/dbraw/zinc/99/12/21/475991221.db2.gz YSZDWTFXRAQMBW-HOJAQTOUSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137152 475995997 /nfs/dbraw/zinc/99/59/97/475995997.db2.gz BVPYYJHRIUMBAD-MSOLQXFVSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137152 475996003 /nfs/dbraw/zinc/99/60/03/475996003.db2.gz BVPYYJHRIUMBAD-MSOLQXFVSA-N 1 3 331.504 2.744 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340382446 475998078 /nfs/dbraw/zinc/99/80/78/475998078.db2.gz NYTBQEOHRXFDNW-CADBVGFASA-N 1 3 334.504 2.570 20 0 EFADHO C[N@H+]1CC[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)C[C@H]1c1ccccc1 ZINC000340382446 475998084 /nfs/dbraw/zinc/99/80/84/475998084.db2.gz NYTBQEOHRXFDNW-CADBVGFASA-N 1 3 334.504 2.570 20 0 EFADHO c1ccc(CN2C[C@@H]3[C@H]([NH2+]CCN4CC=CCC4)CC[C@@H]3C2)cc1 ZINC000355522039 476004665 /nfs/dbraw/zinc/00/46/65/476004665.db2.gz AFESZLYDTIXBGY-QHAWAJNXSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3[C@H](NCCN4CC=CCC4)CC[C@@H]3C2)cc1 ZINC000355522039 476004671 /nfs/dbraw/zinc/00/46/71/476004671.db2.gz AFESZLYDTIXBGY-QHAWAJNXSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3[C@H](NCCN4CC=CCC4)CC[C@@H]3C2)cc1 ZINC000355522039 476004684 /nfs/dbraw/zinc/00/46/84/476004684.db2.gz AFESZLYDTIXBGY-QHAWAJNXSA-N 1 3 325.500 2.749 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000355524398 476005903 /nfs/dbraw/zinc/00/59/03/476005903.db2.gz LDMDRJQNLVTBSC-MJGOQNOKSA-N 1 3 346.519 2.805 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000355524400 476006350 /nfs/dbraw/zinc/00/63/50/476006350.db2.gz LDMDRJQNLVTBSC-PKOBYXMFSA-N 1 3 346.519 2.805 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000347000877 476020680 /nfs/dbraw/zinc/02/06/80/476020680.db2.gz ZRUJVGSNKFUUMY-LJQANCHMSA-N 1 3 338.455 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000347000877 476020683 /nfs/dbraw/zinc/02/06/83/476020683.db2.gz ZRUJVGSNKFUUMY-LJQANCHMSA-N 1 3 338.455 2.851 20 0 EFADHO CCCCCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347013374 476033637 /nfs/dbraw/zinc/03/36/37/476033637.db2.gz IDKQEBHUIPAAAU-GOSISDBHSA-N 1 3 347.503 2.543 20 0 EFADHO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000353520929 476042608 /nfs/dbraw/zinc/04/26/08/476042608.db2.gz PZDHPKVZKCRZJS-MXEMCNAFSA-N 1 3 346.515 2.664 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1)C1CC1 ZINC000343414969 476043184 /nfs/dbraw/zinc/04/31/84/476043184.db2.gz KJESGXMBTIAXRB-HNAYVOBHSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(C)[C@H]2C)cc1)C1CC1 ZINC000343414969 476043190 /nfs/dbraw/zinc/04/31/90/476043190.db2.gz KJESGXMBTIAXRB-HNAYVOBHSA-N 1 3 329.488 2.883 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000298291145 476046782 /nfs/dbraw/zinc/04/67/82/476046782.db2.gz CSLRDLXACUVFQU-OCCSQVGLSA-N 1 3 332.366 2.693 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000353526458 476047585 /nfs/dbraw/zinc/04/75/85/476047585.db2.gz ARMCLXKMWNBJSE-UHFFFAOYSA-N 1 3 332.488 2.943 20 0 EFADHO CCOc1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000353533123 476053640 /nfs/dbraw/zinc/05/36/40/476053640.db2.gz XJJZPGDBKIWELW-UHFFFAOYSA-N 1 3 336.476 2.637 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)C(C)(C)OC)cc2)CC1 ZINC000340471566 476056512 /nfs/dbraw/zinc/05/65/12/476056512.db2.gz CUFMPJIRKFJVPW-QGZVFWFLSA-N 1 3 333.520 2.727 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000350129678 476061174 /nfs/dbraw/zinc/06/11/74/476061174.db2.gz UABBXZZEJDDPFO-RHSMWYFYSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000350129677 476062015 /nfs/dbraw/zinc/06/20/15/476062015.db2.gz UABBXZZEJDDPFO-PBHICJAKSA-N 1 3 348.491 2.635 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000347050914 476063013 /nfs/dbraw/zinc/06/30/13/476063013.db2.gz XJNIROGCHQROJW-HNNXBMFYSA-N 1 3 337.483 2.883 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000340491450 476065641 /nfs/dbraw/zinc/06/56/41/476065641.db2.gz OQNNONXRAIEDSS-HNNXBMFYSA-N 1 3 328.460 2.619 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000356182730 476089149 /nfs/dbraw/zinc/08/91/49/476089149.db2.gz YOUJAXGSLHKODB-JFIYKMOQSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000356182730 476089156 /nfs/dbraw/zinc/08/91/56/476089156.db2.gz YOUJAXGSLHKODB-JFIYKMOQSA-N 1 3 344.503 2.604 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000353573290 476091856 /nfs/dbraw/zinc/09/18/56/476091856.db2.gz KLCQTEPEBZDKLT-UHFFFAOYSA-N 1 3 328.403 2.831 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1OC ZINC000353590910 476105617 /nfs/dbraw/zinc/10/56/17/476105617.db2.gz VWCNXAOUKRUWIL-INIZCTEOSA-N 1 3 349.519 2.689 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cccc(Br)c1 ZINC000350257266 476109377 /nfs/dbraw/zinc/10/93/77/476109377.db2.gz ARLQOFHFYFVVNK-UHFFFAOYSA-N 1 3 329.282 2.897 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(NC(C)=O)c2)C1 ZINC000350287595 476122325 /nfs/dbraw/zinc/12/23/25/476122325.db2.gz PZEOVWNPVBMPJU-LJQANCHMSA-N 1 3 333.476 2.578 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336723162 476126811 /nfs/dbraw/zinc/12/68/11/476126811.db2.gz UBSCEAJTYXAEQG-DFQSSKMNSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723162 476126817 /nfs/dbraw/zinc/12/68/17/476126817.db2.gz UBSCEAJTYXAEQG-DFQSSKMNSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723162 476126824 /nfs/dbraw/zinc/12/68/24/476126824.db2.gz UBSCEAJTYXAEQG-DFQSSKMNSA-N 1 3 334.504 2.520 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1OC ZINC000336795420 476133536 /nfs/dbraw/zinc/13/35/36/476133536.db2.gz KLESHGBEFRKBCL-HETMTNPWSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H]1OC ZINC000336795420 476133548 /nfs/dbraw/zinc/13/35/48/476133548.db2.gz KLESHGBEFRKBCL-HETMTNPWSA-N 1 3 344.499 2.679 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)[C@@H]1OC ZINC000336795420 476133554 /nfs/dbraw/zinc/13/35/54/476133554.db2.gz KLESHGBEFRKBCL-HETMTNPWSA-N 1 3 344.499 2.679 20 0 EFADHO NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336815313 476134163 /nfs/dbraw/zinc/13/41/63/476134163.db2.gz HMWFPTVECYSFGB-LEWJYISDSA-N 1 3 349.478 2.739 20 0 EFADHO NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)c1 ZINC000336815313 476134170 /nfs/dbraw/zinc/13/41/70/476134170.db2.gz HMWFPTVECYSFGB-LEWJYISDSA-N 1 3 349.478 2.739 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000359038165 476134233 /nfs/dbraw/zinc/13/42/33/476134233.db2.gz KVXMRJVZPXIHFD-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000359038165 476134242 /nfs/dbraw/zinc/13/42/42/476134242.db2.gz KVXMRJVZPXIHFD-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343922876 476134504 /nfs/dbraw/zinc/13/45/04/476134504.db2.gz LIOFSVZJCXFHHC-WCIQWLHISA-N 1 3 337.552 2.540 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000353664076 476168287 /nfs/dbraw/zinc/16/82/87/476168287.db2.gz NQVJXVKGPAKJQK-QGPMSJSTSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663280 476168913 /nfs/dbraw/zinc/16/89/13/476168913.db2.gz UIUVHSPKXPFYPH-OTWHNJEPSA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663280 476168923 /nfs/dbraw/zinc/16/89/23/476168923.db2.gz UIUVHSPKXPFYPH-OTWHNJEPSA-N 1 3 328.504 2.953 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc(N2CCCC2)n1 ZINC000353663280 476168930 /nfs/dbraw/zinc/16/89/30/476168930.db2.gz UIUVHSPKXPFYPH-OTWHNJEPSA-N 1 3 328.504 2.953 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353664399 476168995 /nfs/dbraw/zinc/16/89/95/476168995.db2.gz OKHIVZRLTSSWOJ-APWZRJJASA-N 1 3 347.503 2.520 20 0 EFADHO C[C@H](CO)N(CCC[N@H+]([C@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204049 476170069 /nfs/dbraw/zinc/17/00/69/476170069.db2.gz GUNSIMWTQWQUAC-IAGOWNOFSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](CO)N(CCC[N@@H+]([C@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204049 476170081 /nfs/dbraw/zinc/17/00/81/476170081.db2.gz GUNSIMWTQWQUAC-IAGOWNOFSA-N 1 3 326.525 2.627 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357043408 476181695 /nfs/dbraw/zinc/18/16/95/476181695.db2.gz GAAQLAULWSPYQY-QGZVFWFLSA-N 1 3 340.471 2.907 20 0 EFADHO COc1cc2c(c(CN3CCC([C@@H]4CCC[NH2+]4)CC3)c1)O[C@H](C)C2 ZINC000347224652 476182414 /nfs/dbraw/zinc/18/24/14/476182414.db2.gz VCXRNRINOMSYBP-KUHUBIRLSA-N 1 3 330.472 2.983 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(-c2cccs2)n1 ZINC000357048536 476187633 /nfs/dbraw/zinc/18/76/33/476187633.db2.gz KNFIYOXMQPASIA-OAHLLOKOSA-N 1 3 330.501 2.970 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000357052676 476191224 /nfs/dbraw/zinc/19/12/24/476191224.db2.gz RIHZCONIJNGLMT-WMZOPIPTSA-N 1 3 331.504 2.934 20 0 EFADHO COc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc(OC)c1OC ZINC000357057792 476194310 /nfs/dbraw/zinc/19/43/10/476194310.db2.gz UXUOSHKWBQLPCK-INIZCTEOSA-N 1 3 334.460 2.534 20 0 EFADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357078973 476213776 /nfs/dbraw/zinc/21/37/76/476213776.db2.gz CCAUTUOHRCRABA-SFHVURJKSA-N 1 3 343.471 2.539 20 0 EFADHO O=C1[C@@H](N2CCC([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000357079415 476213861 /nfs/dbraw/zinc/21/38/61/476213861.db2.gz SIEDTSMGZWCFEL-MJGOQNOKSA-N 1 3 327.472 2.504 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000357080124 476214423 /nfs/dbraw/zinc/21/44/23/476214423.db2.gz STQFOYKYFVFPPL-VQIMIIECSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357080735 476215402 /nfs/dbraw/zinc/21/54/02/476215402.db2.gz MQQCZLXZWWLWJQ-APWZRJJASA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cccs1 ZINC000347268435 476216155 /nfs/dbraw/zinc/21/61/55/476216155.db2.gz JILZLYYPXAARPE-DOTOQJQBSA-N 1 3 345.512 2.688 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303060615 476217527 /nfs/dbraw/zinc/21/75/27/476217527.db2.gz LTTLBROMRKPFJW-KURKYZTESA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCC(C)CC1 ZINC000303060615 476217532 /nfs/dbraw/zinc/21/75/32/476217532.db2.gz LTTLBROMRKPFJW-KURKYZTESA-N 1 3 338.540 2.526 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353731369 476224136 /nfs/dbraw/zinc/22/41/36/476224136.db2.gz VFKKDTQZMLWLSA-IEBWSBKVSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353731369 476224142 /nfs/dbraw/zinc/22/41/42/476224142.db2.gz VFKKDTQZMLWLSA-IEBWSBKVSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H](N[C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347277437 476224393 /nfs/dbraw/zinc/22/43/93/476224393.db2.gz SYTXSBJOPAXGFE-YLJYHZDGSA-N 1 3 339.483 2.626 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353731371 476225139 /nfs/dbraw/zinc/22/51/39/476225139.db2.gz VFKKDTQZMLWLSA-PKOBYXMFSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353731371 476225144 /nfs/dbraw/zinc/22/51/44/476225144.db2.gz VFKKDTQZMLWLSA-PKOBYXMFSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000350520007 476228311 /nfs/dbraw/zinc/22/83/11/476228311.db2.gz RCJMJUSDPYQOIR-AOIWGVFYSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000350520009 476229018 /nfs/dbraw/zinc/22/90/18/476229018.db2.gz RCJMJUSDPYQOIR-LMMKCTJWSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000303459312 476236131 /nfs/dbraw/zinc/23/61/31/476236131.db2.gz KYEJDZGQLMNLFU-ROUUACIJSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000303452932 476236175 /nfs/dbraw/zinc/23/61/75/476236175.db2.gz JBJAMGOHQYWBKJ-ROUUACIJSA-N 1 3 340.556 2.917 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)N(C)Cc1ccccc1 ZINC000303494614 476238965 /nfs/dbraw/zinc/23/89/65/476238965.db2.gz SYDQGCYXWBEBOE-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)N(C)Cc1ccccc1 ZINC000303494614 476238966 /nfs/dbraw/zinc/23/89/66/476238966.db2.gz SYDQGCYXWBEBOE-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000303560633 476241901 /nfs/dbraw/zinc/24/19/01/476241901.db2.gz XIFSTZJAHILDSF-SFHVURJKSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000303603474 476243922 /nfs/dbraw/zinc/24/39/22/476243922.db2.gz NZCMFJVOJFAPEF-OALUTQOASA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000303603474 476243927 /nfs/dbraw/zinc/24/39/27/476243927.db2.gz NZCMFJVOJFAPEF-OALUTQOASA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000362440491 476251896 /nfs/dbraw/zinc/25/18/96/476251896.db2.gz QSYDDCHXGMKETC-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000362440491 476251901 /nfs/dbraw/zinc/25/19/01/476251901.db2.gz QSYDDCHXGMKETC-KZNAEPCWSA-N 1 3 338.540 2.526 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000303989528 476258399 /nfs/dbraw/zinc/25/83/99/476258399.db2.gz KQVSAKDHCMBBFF-CTNGQTDRSA-N 1 3 346.515 2.858 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359700603 476259861 /nfs/dbraw/zinc/25/98/61/476259861.db2.gz JDKDNNIXFLAKCZ-PMACEKPBSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359700603 476259867 /nfs/dbraw/zinc/25/98/67/476259867.db2.gz JDKDNNIXFLAKCZ-PMACEKPBSA-N 1 3 345.531 2.991 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293923 476276686 /nfs/dbraw/zinc/27/66/86/476276686.db2.gz MUPJGZVBFCLVGI-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293923 476276689 /nfs/dbraw/zinc/27/66/89/476276689.db2.gz MUPJGZVBFCLVGI-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293923 476276693 /nfs/dbraw/zinc/27/66/93/476276693.db2.gz MUPJGZVBFCLVGI-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293923 476276694 /nfs/dbraw/zinc/27/66/94/476276694.db2.gz MUPJGZVBFCLVGI-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn3ccccc23)[C@H](C)C1 ZINC000353863902 476305676 /nfs/dbraw/zinc/30/56/76/476305676.db2.gz HEFPTISSIHBKIQ-SJLPKXTDSA-N 1 3 330.476 2.561 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C)N(C)C ZINC000360564963 476307457 /nfs/dbraw/zinc/30/74/57/476307457.db2.gz ZIGCMHLGFYBSPA-MOPGFXCFSA-N 1 3 333.520 2.944 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](c1ccc(CC(C)C)cc1)[NH+](C)C)N(C)C ZINC000360564963 476307461 /nfs/dbraw/zinc/30/74/61/476307461.db2.gz ZIGCMHLGFYBSPA-MOPGFXCFSA-N 1 3 333.520 2.944 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000360581143 476308629 /nfs/dbraw/zinc/30/86/29/476308629.db2.gz OFRHCQZMLYHEQN-MBNYWOFBSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000360581143 476308633 /nfs/dbraw/zinc/30/86/33/476308633.db2.gz OFRHCQZMLYHEQN-MBNYWOFBSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357306983 476324561 /nfs/dbraw/zinc/32/45/61/476324561.db2.gz MCQJFKVKHWVCHS-IIHSZXCVSA-N 1 3 347.478 2.540 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)CCCO)CC1 ZINC000357339883 476337645 /nfs/dbraw/zinc/33/76/45/476337645.db2.gz AXRBWYASYGATII-UHFFFAOYSA-N 1 3 333.520 2.717 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000357354532 476343263 /nfs/dbraw/zinc/34/32/63/476343263.db2.gz OFVMXKWRQZZTMO-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000357357872 476344878 /nfs/dbraw/zinc/34/48/78/476344878.db2.gz XGUXJYAZVXJLDR-JFIYKMOQSA-N 1 3 331.504 2.932 20 0 EFADHO CCCN1CCC[C@@H]1C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000353985148 476347768 /nfs/dbraw/zinc/34/77/68/476347768.db2.gz BRUBWHVEHCQHTK-QRVBRYPASA-N 1 3 325.541 2.587 20 0 EFADHO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000353985145 476348099 /nfs/dbraw/zinc/34/80/99/476348099.db2.gz BRUBWHVEHCQHTK-GUDVDZBRSA-N 1 3 325.541 2.587 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000357383509 476352406 /nfs/dbraw/zinc/35/24/06/476352406.db2.gz CWAZZGVMOLVIRL-FUHWJXTLSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000357389266 476353866 /nfs/dbraw/zinc/35/38/66/476353866.db2.gz KAFCUBHFAKIFKK-AYBZRNKSSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000357389266 476353871 /nfs/dbraw/zinc/35/38/71/476353871.db2.gz KAFCUBHFAKIFKK-AYBZRNKSSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000354006291 476357738 /nfs/dbraw/zinc/35/77/38/476357738.db2.gz LLRAEQQNCGXUMR-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000354006291 476357744 /nfs/dbraw/zinc/35/77/44/476357744.db2.gz LLRAEQQNCGXUMR-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000354006292 476357949 /nfs/dbraw/zinc/35/79/49/476357949.db2.gz LLRAEQQNCGXUMR-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000354006292 476357954 /nfs/dbraw/zinc/35/79/54/476357954.db2.gz LLRAEQQNCGXUMR-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)CC1 ZINC000357402751 476361295 /nfs/dbraw/zinc/36/12/95/476361295.db2.gz APTYYRCHBZJGAG-LJQANCHMSA-N 1 3 335.467 2.713 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1)C1CC1 ZINC000354018400 476368473 /nfs/dbraw/zinc/36/84/73/476368473.db2.gz FTSYIMDRIPUNAH-MRXNPFEDSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1)C1CC1 ZINC000354018400 476368478 /nfs/dbraw/zinc/36/84/78/476368478.db2.gz FTSYIMDRIPUNAH-MRXNPFEDSA-N 1 3 329.488 2.837 20 0 EFADHO CCCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000354019094 476369340 /nfs/dbraw/zinc/36/93/40/476369340.db2.gz UIFJSGMGBYUJDE-NQIIRXRSSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000354019094 476369346 /nfs/dbraw/zinc/36/93/46/476369346.db2.gz UIFJSGMGBYUJDE-NQIIRXRSSA-N 1 3 345.531 2.933 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000373124236 476378905 /nfs/dbraw/zinc/37/89/05/476378905.db2.gz QJHICXCEKZACJT-MJGOQNOKSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368925189 476380277 /nfs/dbraw/zinc/38/02/77/476380277.db2.gz GBDRMQLJYHVRFV-HXUWFJFHSA-N 1 3 341.499 2.595 20 0 EFADHO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](N2CCCC2)C1 ZINC000368925189 476380283 /nfs/dbraw/zinc/38/02/83/476380283.db2.gz GBDRMQLJYHVRFV-HXUWFJFHSA-N 1 3 341.499 2.595 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1)C1CCN(C)CC1 ZINC000373323656 476394147 /nfs/dbraw/zinc/39/41/47/476394147.db2.gz MGAGNZYNORLIJN-NRFANRHFSA-N 1 3 343.515 2.564 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@@](O)(C2CC2)C1)C1CCN(C)CC1 ZINC000373323656 476394154 /nfs/dbraw/zinc/39/41/54/476394154.db2.gz MGAGNZYNORLIJN-NRFANRHFSA-N 1 3 343.515 2.564 20 0 EFADHO CN1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)[C@H]1c1cccs1 ZINC000369167477 476396084 /nfs/dbraw/zinc/39/60/84/476396084.db2.gz OLZRBQJGYHAZQI-JHDROBOHSA-N 1 3 347.528 2.637 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc3ccccc3[nH]c2=O)C1 ZINC000354078092 476410187 /nfs/dbraw/zinc/41/01/87/476410187.db2.gz NANYKRFOISABNB-GOSISDBHSA-N 1 3 343.471 2.873 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1(C)C ZINC000369500406 476421811 /nfs/dbraw/zinc/42/18/11/476421811.db2.gz LKRWYGVULGDMCE-MJGOQNOKSA-N 1 3 330.520 2.723 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000354100620 476426623 /nfs/dbraw/zinc/42/66/23/476426623.db2.gz ODRAISJKLJFFMC-ICSRJNTNSA-N 1 3 343.515 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000354100620 476426629 /nfs/dbraw/zinc/42/66/29/476426629.db2.gz ODRAISJKLJFFMC-ICSRJNTNSA-N 1 3 343.515 2.687 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000360866547 476439300 /nfs/dbraw/zinc/43/93/00/476439300.db2.gz CGGNGAFELHTYMP-UHFFFAOYSA-N 1 3 348.491 2.621 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000354136958 476452862 /nfs/dbraw/zinc/45/28/62/476452862.db2.gz KTCYTCKDJZGZCJ-AITUJVMLSA-N 1 3 346.519 2.850 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000362921823 476482204 /nfs/dbraw/zinc/48/22/04/476482204.db2.gz JRTGSPKSXCFHCU-UHFFFAOYSA-N 1 3 344.478 2.955 20 0 EFADHO Fc1ccc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000362922972 476483417 /nfs/dbraw/zinc/48/34/17/476483417.db2.gz GYMYYFCHKPWOIG-CQSZACIVSA-N 1 3 331.435 2.898 20 0 EFADHO C[C@@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000351815338 476501506 /nfs/dbraw/zinc/50/15/06/476501506.db2.gz SNRNUOWHWFBQGA-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000351815338 476501511 /nfs/dbraw/zinc/50/15/11/476501511.db2.gz SNRNUOWHWFBQGA-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357632037 476502211 /nfs/dbraw/zinc/50/22/11/476502211.db2.gz JPGZKNNXFBUUNH-NZSAHSFTSA-N 1 3 331.504 2.790 20 0 EFADHO C[NH+](C)CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000377667734 476508873 /nfs/dbraw/zinc/50/88/73/476508873.db2.gz LBFKAKZZTIJWRP-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357643106 476509101 /nfs/dbraw/zinc/50/91/01/476509101.db2.gz WJBUSLNWTKEVEJ-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357643106 476509108 /nfs/dbraw/zinc/50/91/08/476509108.db2.gz WJBUSLNWTKEVEJ-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1cccs1 ZINC000377684094 476519797 /nfs/dbraw/zinc/51/97/97/476519797.db2.gz VLWFTHCRSZDYOS-UHFFFAOYSA-N 1 3 347.532 2.596 20 0 EFADHO CCN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000363059226 476544535 /nfs/dbraw/zinc/54/45/35/476544535.db2.gz CZEBWVVLFLTEEV-HRPDOCRFSA-N 1 3 329.488 2.788 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000377766436 476569958 /nfs/dbraw/zinc/56/99/58/476569958.db2.gz FJWHKUFZCXHOEW-OALUTQOASA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000377766436 476569962 /nfs/dbraw/zinc/56/99/62/476569962.db2.gz FJWHKUFZCXHOEW-OALUTQOASA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000357747554 476574885 /nfs/dbraw/zinc/57/48/85/476574885.db2.gz MGMWFPVNUZUDRU-SJORKVTESA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000357747554 476574889 /nfs/dbraw/zinc/57/48/89/476574889.db2.gz MGMWFPVNUZUDRU-SJORKVTESA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000357747549 476575122 /nfs/dbraw/zinc/57/51/22/476575122.db2.gz MGMWFPVNUZUDRU-IAGOWNOFSA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000357747549 476575129 /nfs/dbraw/zinc/57/51/29/476575129.db2.gz MGMWFPVNUZUDRU-IAGOWNOFSA-N 1 3 334.508 2.535 20 0 EFADHO C[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@@H+]1CCCC[C@@H]1C ZINC000352271835 476601504 /nfs/dbraw/zinc/60/15/04/476601504.db2.gz FJIJMKHDRCCKEW-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCCC12CCN(C)CC2)[N@H+]1CCCC[C@@H]1C ZINC000352271835 476601510 /nfs/dbraw/zinc/60/15/10/476601510.db2.gz FJIJMKHDRCCKEW-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)C1 ZINC000357800979 476614617 /nfs/dbraw/zinc/61/46/17/476614617.db2.gz FQLQKRCIVZAELI-UZLBHIALSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)C1 ZINC000357800979 476614621 /nfs/dbraw/zinc/61/46/21/476614621.db2.gz FQLQKRCIVZAELI-UZLBHIALSA-N 1 3 345.487 2.878 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)C[C@H]1C)c1ccccc1 ZINC000361127229 476619767 /nfs/dbraw/zinc/61/97/67/476619767.db2.gz OUXIIPSIGYOLPI-RLLQIKCJSA-N 1 3 333.520 2.626 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003514 476627178 /nfs/dbraw/zinc/62/71/78/476627178.db2.gz BNKIXHDYEJBLMT-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO COCCOc1cccc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000377886137 476629754 /nfs/dbraw/zinc/62/97/54/476629754.db2.gz YTNHFRFMPPITSV-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO COCCOc1cccc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1 ZINC000377886137 476629761 /nfs/dbraw/zinc/62/97/61/476629761.db2.gz YTNHFRFMPPITSV-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)NCCC3=CCCCC3)C2)CC1 ZINC000370013618 476632903 /nfs/dbraw/zinc/63/29/03/476632903.db2.gz ZLDAMWGFQPWWGP-UHFFFAOYSA-N 1 3 333.520 2.801 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000363302233 476643695 /nfs/dbraw/zinc/64/36/95/476643695.db2.gz GQFAXCKXURCDHI-QGZVFWFLSA-N 1 3 341.565 2.538 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354413049 476646286 /nfs/dbraw/zinc/64/62/86/476646286.db2.gz MTMXHIQTZGABPW-RWMBFGLXSA-N 1 3 328.909 2.940 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000352340956 476649216 /nfs/dbraw/zinc/64/92/16/476649216.db2.gz UBHMGNUWKWPDTH-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352342928 476649701 /nfs/dbraw/zinc/64/97/01/476649701.db2.gz ALQQTQNMSFGZLO-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352342928 476649709 /nfs/dbraw/zinc/64/97/09/476649709.db2.gz ALQQTQNMSFGZLO-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)C1=CCN(C)CC1 ZINC000357856621 476652246 /nfs/dbraw/zinc/65/22/46/476652246.db2.gz SNXKGTXDHCCROB-MRXNPFEDSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCCC1)C1=CCN(C)CC1 ZINC000357856616 476652650 /nfs/dbraw/zinc/65/26/50/476652650.db2.gz SNXKGTXDHCCROB-INIZCTEOSA-N 1 3 336.524 2.591 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357869232 476660708 /nfs/dbraw/zinc/66/07/08/476660708.db2.gz WWJVQHDYRFGJFL-UHFFFAOYSA-N 1 3 341.499 2.888 20 0 EFADHO CC[NH+]1CCN(c2cccc(NC(=O)CN3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000354496558 476686700 /nfs/dbraw/zinc/68/67/00/476686700.db2.gz OIJDYTSVAYDOLR-CALCHBBNSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)c1ccc(CCNC(=O)CN2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058157 476707661 /nfs/dbraw/zinc/70/76/61/476707661.db2.gz JMHIHBVRWJWMQB-GOSISDBHSA-N 1 3 331.504 2.530 20 0 EFADHO CCOc1ccccc1[C@H](CC)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443064477 476707707 /nfs/dbraw/zinc/70/77/07/476707707.db2.gz YIMLSUOBKBXEHR-AEFFLSMTSA-N 1 3 347.503 2.713 20 0 EFADHO [NH3+]CC[C@H]1CCCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000443058307 476707992 /nfs/dbraw/zinc/70/79/92/476707992.db2.gz JYNRTNFZLUAKQN-IEBWSBKVSA-N 1 3 329.488 2.801 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[C@H]2C1 ZINC000378528839 476718275 /nfs/dbraw/zinc/71/82/75/476718275.db2.gz LTIKSMBKYLQOQM-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379668709 476731344 /nfs/dbraw/zinc/73/13/44/476731344.db2.gz FBGJNGTUYXULGS-NZSAHSFTSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCN1Cc1ccccc1 ZINC000379663809 476731406 /nfs/dbraw/zinc/73/14/06/476731406.db2.gz MNFKLXSMCDDAKR-NEWSRXKRSA-N 1 3 343.515 2.934 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422702636 476736111 /nfs/dbraw/zinc/73/61/11/476736111.db2.gz FMVOPWKGMMSEBI-KCUHQSDYSA-N 1 3 329.488 2.784 20 0 EFADHO CN1CCC(CC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000365860973 476737332 /nfs/dbraw/zinc/73/73/32/476737332.db2.gz LJTSJGUEZJMIPT-LJQANCHMSA-N 1 3 335.536 2.833 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])N1CCCCC1 ZINC000422709868 476737855 /nfs/dbraw/zinc/73/78/55/476737855.db2.gz LBGHINMLSXOIHR-UHOSZYNNSA-N 1 3 331.504 2.939 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381175905 476738867 /nfs/dbraw/zinc/73/88/67/476738867.db2.gz ZTYAPCZAJBCSNH-PMACEKPBSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381175905 476738876 /nfs/dbraw/zinc/73/88/76/476738876.db2.gz ZTYAPCZAJBCSNH-PMACEKPBSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422710909 476739502 /nfs/dbraw/zinc/73/95/02/476739502.db2.gz LWVNBMJQJAXAGY-OXJNMPFZSA-N 1 3 332.488 2.860 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422720053 476743525 /nfs/dbraw/zinc/74/35/25/476743525.db2.gz ZLMQCDZBYLXCID-RWMBFGLXSA-N 1 3 326.282 2.743 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000422719239 476743700 /nfs/dbraw/zinc/74/37/00/476743700.db2.gz XZAVBZOHRGFIEW-RYGJVYDSSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000422719239 476743704 /nfs/dbraw/zinc/74/37/04/476743704.db2.gz XZAVBZOHRGFIEW-RYGJVYDSSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000382699443 476744064 /nfs/dbraw/zinc/74/40/64/476744064.db2.gz LOCFRCLYWCMGLL-MOPGFXCFSA-N 1 3 343.515 2.889 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000422722513 476744725 /nfs/dbraw/zinc/74/47/25/476744725.db2.gz YFCJQHAPKBSNOJ-INIZCTEOSA-N 1 3 348.487 2.885 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000382734980 476746866 /nfs/dbraw/zinc/74/68/66/476746866.db2.gz GOJKTCQGMADSEM-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365879504 476747121 /nfs/dbraw/zinc/74/71/21/476747121.db2.gz MBUOOTILKWDTDC-XLIONFOSSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365879504 476747128 /nfs/dbraw/zinc/74/71/28/476747128.db2.gz MBUOOTILKWDTDC-XLIONFOSSA-N 1 3 341.499 2.837 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000382766587 476747735 /nfs/dbraw/zinc/74/77/35/476747735.db2.gz VPEREYNBLVIQMA-KRWDZBQOSA-N 1 3 329.488 2.629 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000422728407 476747719 /nfs/dbraw/zinc/74/77/19/476747719.db2.gz GFSMEMLUVYAZIG-NCYKPQTJSA-N 1 3 345.531 2.598 20 0 EFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382735553 476748304 /nfs/dbraw/zinc/74/83/04/476748304.db2.gz HHKLDCUEQRKIKK-RTBURBONSA-N 1 3 343.515 2.889 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)c1 ZINC000422733715 476750272 /nfs/dbraw/zinc/75/02/72/476750272.db2.gz RJJCSVPDYZLSSJ-VLIAUNLRSA-N 1 3 342.487 2.811 20 0 EFADHO CCN(CC)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422736912 476752483 /nfs/dbraw/zinc/75/24/83/476752483.db2.gz YTGCWXKFXYNAID-PLACYPQZSA-N 1 3 345.531 2.816 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)N(C)C)c1 ZINC000422737932 476754769 /nfs/dbraw/zinc/75/47/69/476754769.db2.gz XYSXUWHWTVLPCG-HBGVWJBISA-N 1 3 341.499 2.846 20 0 EFADHO COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)c1 ZINC000422737932 476754775 /nfs/dbraw/zinc/75/47/75/476754775.db2.gz XYSXUWHWTVLPCG-HBGVWJBISA-N 1 3 341.499 2.846 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422737961 476755123 /nfs/dbraw/zinc/75/51/23/476755123.db2.gz YCMAAKMAQSMEMA-YSSFQJQWSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000422737961 476755130 /nfs/dbraw/zinc/75/51/30/476755130.db2.gz YCMAAKMAQSMEMA-YSSFQJQWSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc(F)ccc1N1CCN(C)CC1 ZINC000422746716 476758443 /nfs/dbraw/zinc/75/84/43/476758443.db2.gz XAIXJRKSBIHRGN-QTXGHNMQSA-N 1 3 346.494 2.511 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000422750794 476759704 /nfs/dbraw/zinc/75/97/04/476759704.db2.gz BOWULJWTJWVSSM-AZUAARDMSA-N 1 3 345.531 2.570 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751570 476759788 /nfs/dbraw/zinc/75/97/88/476759788.db2.gz BOOCNTGWCCUGJX-IHRRRGAJSA-N 1 3 325.403 2.584 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751570 476759790 /nfs/dbraw/zinc/75/97/90/476759790.db2.gz BOOCNTGWCCUGJX-IHRRRGAJSA-N 1 3 325.403 2.584 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751569 476760047 /nfs/dbraw/zinc/76/00/47/476760047.db2.gz BOOCNTGWCCUGJX-BFHYXJOUSA-N 1 3 325.403 2.584 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422751569 476760052 /nfs/dbraw/zinc/76/00/52/476760052.db2.gz BOOCNTGWCCUGJX-BFHYXJOUSA-N 1 3 325.403 2.584 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591476 476761303 /nfs/dbraw/zinc/76/13/03/476761303.db2.gz IPWIJNICQLPRQJ-WOJBJXKFSA-N 1 3 340.467 2.538 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000385591476 476761309 /nfs/dbraw/zinc/76/13/09/476761309.db2.gz IPWIJNICQLPRQJ-WOJBJXKFSA-N 1 3 340.467 2.538 20 0 EFADHO C[C@H](NC1(CN[C@@H](C)[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758854 476762314 /nfs/dbraw/zinc/76/23/14/476762314.db2.gz JGSRRUXEMPHWFE-JENIJYKNSA-N 1 3 331.504 2.617 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccc(F)nc1 ZINC000375297136 476764195 /nfs/dbraw/zinc/76/41/95/476764195.db2.gz HEUVKTAUFMNSLW-UHFFFAOYSA-N 1 3 348.510 2.849 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422766040 476766443 /nfs/dbraw/zinc/76/64/43/476766443.db2.gz RIFMOQZFJWRDRZ-RBSFLKMASA-N 1 3 339.430 2.844 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000422768557 476768312 /nfs/dbraw/zinc/76/83/12/476768312.db2.gz TXZQKTKPQSSRLE-INIZCTEOSA-N 1 3 346.519 2.534 20 0 EFADHO COc1ccc(CCN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1 ZINC000422776561 476770827 /nfs/dbraw/zinc/77/08/27/476770827.db2.gz CZGWNHJXDYMOID-KXBFYZLASA-N 1 3 328.456 2.794 20 0 EFADHO COC(=O)[C@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000452006419 476772209 /nfs/dbraw/zinc/77/22/09/476772209.db2.gz OELUKUSEACYABD-MOPGFXCFSA-N 1 3 330.472 2.751 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000452006419 476772216 /nfs/dbraw/zinc/77/22/16/476772216.db2.gz OELUKUSEACYABD-MOPGFXCFSA-N 1 3 330.472 2.751 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000422788781 476775988 /nfs/dbraw/zinc/77/59/88/476775988.db2.gz RMMUGEWIKHLWGZ-HZPDHXFCSA-N 1 3 348.487 2.976 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422794895 476778263 /nfs/dbraw/zinc/77/82/63/476778263.db2.gz HFEIBWHEJPXZCF-TYNCELHUSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1cccc(Br)c1 ZINC000422794895 476778268 /nfs/dbraw/zinc/77/82/68/476778268.db2.gz HFEIBWHEJPXZCF-TYNCELHUSA-N 1 3 327.266 2.933 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422791190 476778458 /nfs/dbraw/zinc/77/84/58/476778458.db2.gz VPWURIIXSMAOHH-HSALFYBXSA-N 1 3 327.516 2.596 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000422795004 476779417 /nfs/dbraw/zinc/77/94/17/476779417.db2.gz VDQYPGRDSQJQSA-QGZVFWFLSA-N 1 3 343.515 2.875 20 0 EFADHO C[NH+](C)C1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC1 ZINC000445858401 476781742 /nfs/dbraw/zinc/78/17/42/476781742.db2.gz CXZOLAXFWUVBQL-GOSISDBHSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCc2ccccc2C1 ZINC000422806086 476785630 /nfs/dbraw/zinc/78/56/30/476785630.db2.gz JYGPNMMCEJENLW-GCJKJVERSA-N 1 3 337.511 2.983 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000389866637 476787487 /nfs/dbraw/zinc/78/74/87/476787487.db2.gz GZCZYATXXKSSPB-OWYHZJEWSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000389994652 476788320 /nfs/dbraw/zinc/78/83/20/476788320.db2.gz PXXHFXOHKTWFDK-LCLWPZTBSA-N 1 3 343.515 2.649 20 0 EFADHO CC[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCCN1 ZINC000422814803 476790470 /nfs/dbraw/zinc/79/04/70/476790470.db2.gz AFZMNDXVGNKEPB-MOPGFXCFSA-N 1 3 326.488 2.984 20 0 EFADHO C[C@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H](C)O1 ZINC000422814011 476791023 /nfs/dbraw/zinc/79/10/23/476791023.db2.gz SWJSMAMAWMNODD-QVTBYWDJSA-N 1 3 343.515 2.668 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422816701 476791564 /nfs/dbraw/zinc/79/15/64/476791564.db2.gz FVBCHMAGKMNZGX-CYGHRXIMSA-N 1 3 336.451 2.730 20 0 EFADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422817139 476792228 /nfs/dbraw/zinc/79/22/28/476792228.db2.gz GVCXMCHLHVXYSL-HAGHYFMRSA-N 1 3 337.552 2.634 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000390721916 476798153 /nfs/dbraw/zinc/79/81/53/476798153.db2.gz ODGHBSTTYUQDOK-KRWDZBQOSA-N 1 3 339.483 2.699 20 0 EFADHO C[C@H](CN1CCCCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837504 476802910 /nfs/dbraw/zinc/80/29/10/476802910.db2.gz UTHDEJWTJSAXRL-KPFFTGBYSA-N 1 3 329.488 2.706 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422841405 476804308 /nfs/dbraw/zinc/80/43/08/476804308.db2.gz CXWNHMNPFIQKOC-IEBWSBKVSA-N 1 3 347.572 2.896 20 0 EFADHO C(N[C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422845798 476806969 /nfs/dbraw/zinc/80/69/69/476806969.db2.gz OQEBNIKRZUVDGR-SQNIBIBYSA-N 1 3 337.577 2.858 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390941404 476809741 /nfs/dbraw/zinc/80/97/41/476809741.db2.gz MSDJPPFREPMSFE-VNVJMFPYSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H]1CCN[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390941404 476809743 /nfs/dbraw/zinc/80/97/43/476809743.db2.gz MSDJPPFREPMSFE-VNVJMFPYSA-N 1 3 341.499 2.686 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422851161 476810306 /nfs/dbraw/zinc/81/03/06/476810306.db2.gz ONLJTPPEYCTYDT-XUVXKRRUSA-N 1 3 349.563 2.779 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422851160 476810524 /nfs/dbraw/zinc/81/05/24/476810524.db2.gz ONLJTPPEYCTYDT-VAMGGRTRSA-N 1 3 349.563 2.779 20 0 EFADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000422864428 476816356 /nfs/dbraw/zinc/81/63/56/476816356.db2.gz VBNMQNCPLIGCAH-HRCADAONSA-N 1 3 333.442 2.914 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3CN)cc2c(OC)c1 ZINC000422865026 476817138 /nfs/dbraw/zinc/81/71/38/476817138.db2.gz ODWMEMMVCQHMJS-CXAGYDPISA-N 1 3 331.460 2.835 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3CN)cc2c(OC)c1 ZINC000422865129 476819144 /nfs/dbraw/zinc/81/91/44/476819144.db2.gz ODWMEMMVCQHMJS-SUMWQHHRSA-N 1 3 331.460 2.835 20 0 EFADHO Cc1ccc(-c2nc(CCN[C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])co2)cc1 ZINC000422878543 476825436 /nfs/dbraw/zinc/82/54/36/476825436.db2.gz KEWUEFOJWHHCSK-ZTFGCOKTSA-N 1 3 329.444 2.534 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@@H]2C)cc1OC(F)F ZINC000422885600 476826510 /nfs/dbraw/zinc/82/65/10/476826510.db2.gz YXHFLNHCTUEUHC-JSGCOSHPSA-N 1 3 328.403 2.817 20 0 EFADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@@H]2C)cc1OC(F)F ZINC000422885600 476826515 /nfs/dbraw/zinc/82/65/15/476826515.db2.gz YXHFLNHCTUEUHC-JSGCOSHPSA-N 1 3 328.403 2.817 20 0 EFADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422886637 476829605 /nfs/dbraw/zinc/82/96/05/476829605.db2.gz JIQLJTFVBWPVQC-YSIASYRMSA-N 1 3 327.472 2.847 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccccn2)CC1 ZINC000422899639 476834781 /nfs/dbraw/zinc/83/47/81/476834781.db2.gz OUTUGPHQZIDEKP-MJGOQNOKSA-N 1 3 330.520 2.946 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899062 476835714 /nfs/dbraw/zinc/83/57/14/476835714.db2.gz NMXQEWMROYUESD-BJJXKVORSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899062 476835721 /nfs/dbraw/zinc/83/57/21/476835721.db2.gz NMXQEWMROYUESD-BJJXKVORSA-N 1 3 346.393 2.552 20 0 EFADHO CN(C)CCOc1cccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422899433 476836242 /nfs/dbraw/zinc/83/62/42/476836242.db2.gz OLWUOYJQRDSTCQ-UXHICEINSA-N 1 3 325.456 2.861 20 0 EFADHO COc1ccc(C2(C[NH2+][C@@H]3CCNCC[C@H]3C)CCOCC2)cc1 ZINC000422899327 476836380 /nfs/dbraw/zinc/83/63/80/476836380.db2.gz OJXNYSIWMRGANS-VQIMIIECSA-N 1 3 332.488 2.721 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCCCC[C@H]3[NH3+])c2)CCO1 ZINC000422901642 476838421 /nfs/dbraw/zinc/83/84/21/476838421.db2.gz LIEDDEKYUMLEQL-NSISKUIASA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@@H]3CCCCC[C@H]3N)c2)CCO1 ZINC000422901642 476838426 /nfs/dbraw/zinc/83/84/26/476838426.db2.gz LIEDDEKYUMLEQL-NSISKUIASA-N 1 3 331.504 2.657 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905252 476839530 /nfs/dbraw/zinc/83/95/30/476839530.db2.gz YXZWEFPTEUEBMH-IHRRRGAJSA-N 1 3 340.309 2.991 20 0 EFADHO c1ccc(CN2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000422904415 476840150 /nfs/dbraw/zinc/84/01/50/476840150.db2.gz XKJAAKOCHLRHGD-XUVXKRRUSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000422907799 476840550 /nfs/dbraw/zinc/84/05/50/476840550.db2.gz XPGSIQQFYHNHOG-NSISKUIASA-N 1 3 331.504 2.514 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422908186 476841522 /nfs/dbraw/zinc/84/15/22/476841522.db2.gz MCVFREZTBILYBO-KBMXLJTQSA-N 1 3 337.895 2.905 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422908542 476841659 /nfs/dbraw/zinc/84/16/59/476841659.db2.gz MWGHMFXVDYIOEC-QFBILLFUSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422908202 476841904 /nfs/dbraw/zinc/84/19/04/476841904.db2.gz MDEJWEVARRTWOJ-UAGQMJEPSA-N 1 3 325.859 2.913 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906465 476842126 /nfs/dbraw/zinc/84/21/26/476842126.db2.gz JUBUYDUWZFINHS-ZRGWGRIASA-N 1 3 337.458 2.907 20 0 EFADHO CCc1nc(CN2CCC(CN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000422910410 476843240 /nfs/dbraw/zinc/84/32/40/476843240.db2.gz ICLVFAJRTSRYSF-WMLDXEAASA-N 1 3 336.549 2.648 20 0 EFADHO c1ccc2nc(NCCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)ccc2c1 ZINC000422922775 476849257 /nfs/dbraw/zinc/84/92/57/476849257.db2.gz UIVXNEHCZOGBSO-YZGWKJHDSA-N 1 3 338.499 3.547 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1cccc(Cl)c1 ZINC000422928314 476851030 /nfs/dbraw/zinc/85/10/30/476851030.db2.gz KAIPPPAMJRQIGW-LBRJOISOSA-N 1 3 326.868 2.839 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422931606 476852622 /nfs/dbraw/zinc/85/26/22/476852622.db2.gz XYCXCFOEZJOMHS-ZCNNSNEGSA-N 1 3 348.487 2.983 20 0 EFADHO CC(C)(C[NH+]1CCCC1)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000457061724 476854346 /nfs/dbraw/zinc/85/43/46/476854346.db2.gz YYXVVPZBMPMCEN-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCC(=O)Nc1ccc(Br)cc1)CC(C)(C)C[NH3+] ZINC000430551763 476855124 /nfs/dbraw/zinc/85/51/24/476855124.db2.gz INAUSNFOSBXVIG-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@H+](CCC(=O)Nc1ccc(Br)cc1)CC(C)(C)CN ZINC000430551763 476855129 /nfs/dbraw/zinc/85/51/29/476855129.db2.gz INAUSNFOSBXVIG-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CC(C)(C)CN ZINC000430551763 476855133 /nfs/dbraw/zinc/85/51/33/476855133.db2.gz INAUSNFOSBXVIG-UHFFFAOYSA-N 1 3 342.281 2.694 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422940476 476855638 /nfs/dbraw/zinc/85/56/38/476855638.db2.gz NIPXVINLRRJSOY-OTWHNJEPSA-N 1 3 334.460 2.593 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@@H]1NC1CCN(c2nc3ccccc3s2)CC1 ZINC000422944451 476858524 /nfs/dbraw/zinc/85/85/24/476858524.db2.gz MGSFLOHFEMXFOA-CJNGLKHVSA-N 1 3 330.501 2.853 20 0 EFADHO CC[NH2+]CC1CCN(Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000430561541 476860096 /nfs/dbraw/zinc/86/00/96/476860096.db2.gz MPMXQNUTDQDKTM-UHFFFAOYSA-N 1 3 331.504 2.894 20 0 EFADHO COc1cc(OC)cc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422947809 476860296 /nfs/dbraw/zinc/86/02/96/476860296.db2.gz ZAWCAVDCJGEWRV-RTBURBONSA-N 1 3 328.412 2.817 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c1 ZINC000422951194 476862164 /nfs/dbraw/zinc/86/21/64/476862164.db2.gz ZVHDAVOZXDARPT-RBUKOAKNSA-N 1 3 325.412 2.758 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422951195 476863229 /nfs/dbraw/zinc/86/32/29/476863229.db2.gz ZVHDAVOZXDARPT-RTBURBONSA-N 1 3 325.412 2.758 20 0 EFADHO Cc1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422956089 476864580 /nfs/dbraw/zinc/86/45/80/476864580.db2.gz KNDIKQZXXQYXOT-NILFDRSVSA-N 1 3 327.266 2.599 20 0 EFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@H](C)C[C@@H](C)[NH3+] ZINC000422955287 476864716 /nfs/dbraw/zinc/86/47/16/476864716.db2.gz LNYXCQVGYOILNL-VXGBXAGGSA-N 1 3 342.281 2.802 20 0 EFADHO Fc1ccc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422957661 476865976 /nfs/dbraw/zinc/86/59/76/476865976.db2.gz USYQJGJZXGCWIF-DJIMGWMZSA-N 1 3 326.843 2.768 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000398137388 476869233 /nfs/dbraw/zinc/86/92/33/476869233.db2.gz LHHXVUGHUSWHOB-LMCOJAPRSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000422967309 476870230 /nfs/dbraw/zinc/87/02/30/476870230.db2.gz SOWHDWMWCRRULN-BVOGOJNSSA-N 1 3 345.531 2.522 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414111038 476872337 /nfs/dbraw/zinc/87/23/37/476872337.db2.gz IRTDFFKSYUGBGV-DLBZAZTESA-N 1 3 325.541 2.586 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414111043 476872578 /nfs/dbraw/zinc/87/25/78/476872578.db2.gz IRTDFFKSYUGBGV-SJORKVTESA-N 1 3 325.541 2.586 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422969349 476872527 /nfs/dbraw/zinc/87/25/27/476872527.db2.gz UDYTVMFDSAFJNX-UYAOXDASSA-N 1 3 332.488 2.989 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000430592140 476872971 /nfs/dbraw/zinc/87/29/71/476872971.db2.gz CEWFQVXZINSCHP-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000446405240 476874336 /nfs/dbraw/zinc/87/43/36/476874336.db2.gz KAAAODATCIFMOU-AHRSYUTCSA-N 1 3 343.515 2.716 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422983126 476877988 /nfs/dbraw/zinc/87/79/88/476877988.db2.gz YOTAQECVDFQFCC-HAGHYFMRSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981476 476878280 /nfs/dbraw/zinc/87/82/80/476878280.db2.gz OHMMZPBCBLWJSM-OXQOHEQNSA-N 1 3 331.504 2.691 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953491 476879508 /nfs/dbraw/zinc/87/95/08/476879508.db2.gz FYIMMBBJTIONHO-OWCLPIDISA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)CN1C(=O)OC(C)(C)C ZINC000398953491 476879513 /nfs/dbraw/zinc/87/95/13/476879513.db2.gz FYIMMBBJTIONHO-OWCLPIDISA-N 1 3 337.508 2.848 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N1CCC(C[NH3+])CC1 ZINC000430613132 476880476 /nfs/dbraw/zinc/88/04/76/476880476.db2.gz UZQPWVIFBWSZQI-JKSUJKDBSA-N 1 3 343.515 2.802 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399537456 476884334 /nfs/dbraw/zinc/88/43/34/476884334.db2.gz VDMAVGDSGWSLSX-VQIMIIECSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682032 476887355 /nfs/dbraw/zinc/88/73/55/476887355.db2.gz XKJPMDRDWFTYAA-CABCVRRESA-N 1 3 328.460 2.934 20 0 EFADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCc2ccccc21 ZINC000414679229 476887379 /nfs/dbraw/zinc/88/73/79/476887379.db2.gz RLGZUIHHLGBDOM-VQIMIIECSA-N 1 3 329.488 2.583 20 0 EFADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CCc2ccccc21 ZINC000414679229 476887385 /nfs/dbraw/zinc/88/73/85/476887385.db2.gz RLGZUIHHLGBDOM-VQIMIIECSA-N 1 3 329.488 2.583 20 0 EFADHO CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414682038 476887472 /nfs/dbraw/zinc/88/74/72/476887472.db2.gz XKJPMDRDWFTYAA-LSDHHAIUSA-N 1 3 328.460 2.934 20 0 EFADHO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687330 476887748 /nfs/dbraw/zinc/88/77/48/476887748.db2.gz CKSTWRJYXAKINA-HKUYNNGSSA-N 1 3 329.488 2.719 20 0 EFADHO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687330 476887757 /nfs/dbraw/zinc/88/77/57/476887757.db2.gz CKSTWRJYXAKINA-HKUYNNGSSA-N 1 3 329.488 2.719 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000414680104 476887816 /nfs/dbraw/zinc/88/78/16/476887816.db2.gz SPOVKFUKJYCTTA-JXFKEZNVSA-N 1 3 341.499 2.726 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)C1 ZINC000414680104 476887824 /nfs/dbraw/zinc/88/78/24/476887824.db2.gz SPOVKFUKJYCTTA-JXFKEZNVSA-N 1 3 341.499 2.726 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582420 476890317 /nfs/dbraw/zinc/89/03/17/476890317.db2.gz NNEMAAULZWRCGE-INIZCTEOSA-N 1 3 332.492 2.787 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582422 476890656 /nfs/dbraw/zinc/89/06/56/476890656.db2.gz NNEMAAULZWRCGE-MRXNPFEDSA-N 1 3 332.492 2.787 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423012387 476890984 /nfs/dbraw/zinc/89/09/84/476890984.db2.gz KPVXLWQSSVHHNV-JCGIZDLHSA-N 1 3 336.426 2.743 20 0 EFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473802 476891380 /nfs/dbraw/zinc/89/13/80/476891380.db2.gz YZUWLUYMWWLQMP-MKXAEBJUSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473802 476891388 /nfs/dbraw/zinc/89/13/88/476891388.db2.gz YZUWLUYMWWLQMP-MKXAEBJUSA-N 1 3 337.508 2.989 20 0 EFADHO COc1cc2c(c(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000414772859 476891925 /nfs/dbraw/zinc/89/19/25/476891925.db2.gz CQIWSNYEXVKTCA-XHSDSOJGSA-N 1 3 330.472 2.840 20 0 EFADHO CO[C@@H]1[C@H](C)[C@H](N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423016413 476893440 /nfs/dbraw/zinc/89/34/40/476893440.db2.gz MQPWMQXSRCOFNB-AKCOGBPDSA-N 1 3 330.472 2.891 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635368 476893823 /nfs/dbraw/zinc/89/38/23/476893823.db2.gz MPVQKRRPFQDFBF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635368 476893827 /nfs/dbraw/zinc/89/38/27/476893827.db2.gz MPVQKRRPFQDFBF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000400635368 476893831 /nfs/dbraw/zinc/89/38/31/476893831.db2.gz MPVQKRRPFQDFBF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CO[C@@H]1[C@H](C)[C@H](N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423016422 476893804 /nfs/dbraw/zinc/89/38/04/476893804.db2.gz MQPWMQXSRCOFNB-WNYXNMMQSA-N 1 3 330.472 2.891 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423028856 476896085 /nfs/dbraw/zinc/89/60/85/476896085.db2.gz HFEQBBCLIOLUGL-GOEBONIOSA-N 1 3 332.423 2.915 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029049 476896129 /nfs/dbraw/zinc/89/61/29/476896129.db2.gz HMVGBZXCKNSHQT-CZUORRHYSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029049 476896133 /nfs/dbraw/zinc/89/61/33/476896133.db2.gz HMVGBZXCKNSHQT-CZUORRHYSA-N 1 3 332.423 2.786 20 0 EFADHO CC(C)(C)c1nc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000423027002 476896292 /nfs/dbraw/zinc/89/62/92/476896292.db2.gz QVUBLNFQSPVZCY-HRCADAONSA-N 1 3 337.533 2.730 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000446617364 476896426 /nfs/dbraw/zinc/89/64/26/476896426.db2.gz LJOMUTZMZZMXBI-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000423030140 476896982 /nfs/dbraw/zinc/89/69/82/476896982.db2.gz JEKJRQKNMXNVGE-UIFIKXQLSA-N 1 3 345.531 2.654 20 0 EFADHO Cc1cc(Br)cn2cc(CN[C@@H](C)CCC[NH3+])nc12 ZINC000423037942 476900678 /nfs/dbraw/zinc/90/06/78/476900678.db2.gz NSLQBGZZLLSISR-NSHDSACASA-N 1 3 325.254 2.622 20 0 EFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414959235 476901730 /nfs/dbraw/zinc/90/17/30/476901730.db2.gz XCXSYJBRKZBLNC-BZUAXINKSA-N 1 3 343.471 2.572 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890561 476904733 /nfs/dbraw/zinc/90/47/33/476904733.db2.gz SEJQIIGIQUCOBE-RBUKOAKNSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890561 476904738 /nfs/dbraw/zinc/90/47/38/476904738.db2.gz SEJQIIGIQUCOBE-RBUKOAKNSA-N 1 3 345.487 2.717 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000401890561 476904745 /nfs/dbraw/zinc/90/47/45/476904745.db2.gz SEJQIIGIQUCOBE-RBUKOAKNSA-N 1 3 345.487 2.717 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370633166 476905668 /nfs/dbraw/zinc/90/56/68/476905668.db2.gz GCAPOGLMPQKJOU-HOCLYGCPSA-N 1 3 348.560 2.841 20 0 EFADHO Cn1cc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccc(F)cc21 ZINC000423051876 476907123 /nfs/dbraw/zinc/90/71/23/476907123.db2.gz OMBQBECOMKSQMU-CEXWTWQISA-N 1 3 345.462 2.607 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000370638894 476908437 /nfs/dbraw/zinc/90/84/37/476908437.db2.gz ZZJGXJCXRROKFQ-YLJYHZDGSA-N 1 3 345.556 2.775 20 0 EFADHO [NH3+][C@H]1C[C@@H](NCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000423058966 476909582 /nfs/dbraw/zinc/90/95/82/476909582.db2.gz DNGXLFKTQNLSBV-JKSUJKDBSA-N 1 3 327.394 2.995 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058587 476910518 /nfs/dbraw/zinc/91/05/18/476910518.db2.gz CQDDEINSNQXJSI-VUCTXSBTSA-N 1 3 335.879 2.716 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000430761896 476913446 /nfs/dbraw/zinc/91/34/46/476913446.db2.gz MLAUFIVPFORQQT-JTDSTZFVSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000430761896 476913455 /nfs/dbraw/zinc/91/34/55/476913455.db2.gz MLAUFIVPFORQQT-JTDSTZFVSA-N 1 3 331.504 2.764 20 0 EFADHO COC(=O)CCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649640 476914185 /nfs/dbraw/zinc/91/41/85/476914185.db2.gz FXXUGDXMDSPFII-UHFFFAOYSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649640 476914191 /nfs/dbraw/zinc/91/41/91/476914191.db2.gz FXXUGDXMDSPFII-UHFFFAOYSA-N 1 3 330.472 2.928 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NC[C@@H]1CCCCN1C1CC1 ZINC000423069197 476914595 /nfs/dbraw/zinc/91/45/95/476914595.db2.gz AOYQMTCFMJRKHW-HFSMHLIXSA-N 1 3 341.499 2.849 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@H]3C[NH3+])c2)n1 ZINC000423069259 476914640 /nfs/dbraw/zinc/91/46/40/476914640.db2.gz DKQKBPRLPLPXDZ-LSDHHAIUSA-N 1 3 345.468 2.814 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423076518 476918108 /nfs/dbraw/zinc/91/81/08/476918108.db2.gz RKTHMXGGVVLJLC-NEWSRXKRSA-N 1 3 333.545 2.582 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H](C)C[C@H](C)[NH3+])c2)n1 ZINC000423078463 476918815 /nfs/dbraw/zinc/91/88/15/476918815.db2.gz OMWRERQRUUCQKT-RYUDHWBXSA-N 1 3 333.457 2.812 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000430802843 476919556 /nfs/dbraw/zinc/91/95/56/476919556.db2.gz OPCXOQGARVWRSX-WDYCEAGBSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000430802843 476919563 /nfs/dbraw/zinc/91/95/63/476919563.db2.gz OPCXOQGARVWRSX-WDYCEAGBSA-N 1 3 329.488 2.513 20 0 EFADHO C[C@@H](NCCCCn1cc(Br)cn1)[C@H]1CCCC[NH2+]1 ZINC000423080355 476920198 /nfs/dbraw/zinc/92/01/98/476920198.db2.gz ACGTXRQNCXKDON-TZMCWYRMSA-N 1 3 329.286 2.546 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(OCCN(C)C)cc1 ZINC000370661435 476921183 /nfs/dbraw/zinc/92/11/83/476921183.db2.gz FZFYGEDCZGRSTO-RHSMWYFYSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090564 476924682 /nfs/dbraw/zinc/92/46/82/476924682.db2.gz VQDYEYPOMOQRHT-OUCADQQQSA-N 1 3 326.282 2.743 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000430842828 476925765 /nfs/dbraw/zinc/92/57/65/476925765.db2.gz VWNWYIRISSWYFP-GUDVDZBRSA-N 1 3 329.488 2.675 20 0 EFADHO O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1)N1CCCC1 ZINC000423092963 476926558 /nfs/dbraw/zinc/92/65/58/476926558.db2.gz FBIPNSNEEIXHCC-RHQZKXFESA-N 1 3 333.520 2.678 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405335993 476927364 /nfs/dbraw/zinc/92/73/64/476927364.db2.gz JQHUUZXZSFCXKF-NZSAHSFTSA-N 1 3 329.488 2.627 20 0 EFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423108293 476931841 /nfs/dbraw/zinc/93/18/41/476931841.db2.gz QWAYMXUATVETQI-ZSYWTGECSA-N 1 3 348.535 2.567 20 0 EFADHO CN(C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000407357738 476932813 /nfs/dbraw/zinc/93/28/13/476932813.db2.gz PBDUPWRDGDMZIX-UXHICEINSA-N 1 3 341.499 2.640 20 0 EFADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1F ZINC000423115415 476932804 /nfs/dbraw/zinc/93/28/04/476932804.db2.gz NHTMUBYRMQYASE-BEIYGRMHSA-N 1 3 348.462 2.827 20 0 EFADHO FC(F)O[C@@H]1CCC[C@H]1N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423115064 476933142 /nfs/dbraw/zinc/93/31/42/476933142.db2.gz MQWNOJHRRCESQT-GZOSKZMVSA-N 1 3 338.398 2.992 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423121441 476936281 /nfs/dbraw/zinc/93/62/81/476936281.db2.gz IHVGZZXLKNBHRD-NHJHPMQKSA-N 1 3 331.504 2.949 20 0 EFADHO CCc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N(CC)CC)cc1 ZINC000423122255 476936355 /nfs/dbraw/zinc/93/63/55/476936355.db2.gz BYQCJVMSDOCDFR-DVWBAYGPSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000423132347 476938495 /nfs/dbraw/zinc/93/84/95/476938495.db2.gz ULBYUAVEVAOIRM-OCCSQVGLSA-N 1 3 333.863 2.929 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415570463 476939422 /nfs/dbraw/zinc/93/94/22/476939422.db2.gz MBEFKAYOSVGGAJ-ZWKOTPCHSA-N 1 3 344.503 2.644 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130250 476939737 /nfs/dbraw/zinc/93/97/37/476939737.db2.gz GKBZPEAPENFJEW-SLFFLAALSA-N 1 3 329.488 2.534 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC(C[NH2+]C)CC2)cc1 ZINC000430936890 476941830 /nfs/dbraw/zinc/94/18/30/476941830.db2.gz XNSWOKUFKWFGHF-HZPDHXFCSA-N 1 3 331.504 2.746 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC4(CC[NH2+]C4)CC3)cn2)cc1 ZINC000430936743 476943215 /nfs/dbraw/zinc/94/32/15/476943215.db2.gz WKNOQXZXFUCXRE-UHFFFAOYSA-N 1 3 328.435 2.646 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415587986 476943518 /nfs/dbraw/zinc/94/35/18/476943518.db2.gz ZKQHESFBDOCPAB-GOSISDBHSA-N 1 3 332.492 2.820 20 0 EFADHO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705448 476943432 /nfs/dbraw/zinc/94/34/32/476943432.db2.gz GXPNIVMJRVHUPK-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705447 476943939 /nfs/dbraw/zinc/94/39/39/476943939.db2.gz GXPNIVMJRVHUPK-FGTMMUONSA-N 1 3 335.536 2.972 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@H]2CN)cc1OC ZINC000423148039 476944523 /nfs/dbraw/zinc/94/45/23/476944523.db2.gz FAYRQCRCZYDVBT-JKSUJKDBSA-N 1 3 336.476 2.752 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC/C=C\c1ccc(Br)cc1 ZINC000423163232 476950451 /nfs/dbraw/zinc/95/04/51/476950451.db2.gz VJQSQRRFSKUYHE-AAXXHSJLSA-N 1 3 339.277 2.804 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC/C=C\c1ccc(Br)cc1 ZINC000423163233 476950593 /nfs/dbraw/zinc/95/05/93/476950593.db2.gz VJQSQRRFSKUYHE-CLMHNDRTSA-N 1 3 339.277 2.804 20 0 EFADHO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(CN)nc2C)cc1C ZINC000423165739 476950959 /nfs/dbraw/zinc/95/09/59/476950959.db2.gz QFARJJVEDWGSNJ-VQIMIIECSA-N 1 3 327.472 2.720 20 0 EFADHO C[C@@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430962086 476950951 /nfs/dbraw/zinc/95/09/51/476950951.db2.gz PJDNWIHRYQTTLG-BXUZGUMPSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(Br)ccc1F ZINC000423174620 476953278 /nfs/dbraw/zinc/95/32/78/476953278.db2.gz BMFAXRMZWOZJIX-LBPRGKRZSA-N 1 3 344.272 2.534 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423174058 476953596 /nfs/dbraw/zinc/95/35/96/476953596.db2.gz BCZGYBAOLUSOFL-XRXFAXGQSA-N 1 3 345.531 2.631 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423174803 476954107 /nfs/dbraw/zinc/95/41/07/476954107.db2.gz CAHKGYPKHOBFEH-GFCCVEGCSA-N 1 3 344.272 2.534 20 0 EFADHO C[C@H]([NH2+]CC1(N)CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423179316 476955738 /nfs/dbraw/zinc/95/57/38/476955738.db2.gz LXHMEAYOWIZUFW-PKOBYXMFSA-N 1 3 331.504 2.700 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013317 476960435 /nfs/dbraw/zinc/96/04/35/476960435.db2.gz IGPWUCOQNBJPQZ-HZPDHXFCSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@@H]([NH3+])CC(=O)N(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000431035345 476964622 /nfs/dbraw/zinc/96/46/22/476964622.db2.gz DGSQVOLUPVJAJC-GOSISDBHSA-N 1 3 339.483 2.885 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000431062646 476968858 /nfs/dbraw/zinc/96/88/58/476968858.db2.gz RYBCEXGRLMFDAL-MWDBYQCVSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000431062644 476969124 /nfs/dbraw/zinc/96/91/24/476969124.db2.gz RYBCEXGRLMFDAL-AEOXZHQRSA-N 1 3 341.499 2.859 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000370763073 476973257 /nfs/dbraw/zinc/97/32/57/476973257.db2.gz DOHSOFWDZPDGJM-CEXWTWQISA-N 1 3 329.488 2.532 20 0 EFADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000423256317 476977783 /nfs/dbraw/zinc/97/77/83/476977783.db2.gz DYYYVNIGPFIFED-WBVHZDCISA-N 1 3 327.476 2.924 20 0 EFADHO Cc1c([C@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000423263150 476978312 /nfs/dbraw/zinc/97/83/12/476978312.db2.gz WXCCSGPWQWQSJJ-ZFWWWQNUSA-N 1 3 331.439 2.755 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415990275 476978852 /nfs/dbraw/zinc/97/88/52/476978852.db2.gz NCNFNVQKEYCQRV-LJQANCHMSA-N 1 3 338.455 2.802 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423280923 476981992 /nfs/dbraw/zinc/98/19/92/476981992.db2.gz TYENSEOYFDOVBV-JLJPHGGASA-N 1 3 339.505 2.616 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2cccc(OCCN(C)C)c2)cc1 ZINC000423316493 476991392 /nfs/dbraw/zinc/99/13/92/476991392.db2.gz ACBQGJDSHGLSDT-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000447440468 476993763 /nfs/dbraw/zinc/99/37/63/476993763.db2.gz MIVMQNFWAGXWIG-HBFSDRIKSA-N 1 3 325.456 2.863 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423322245 476994074 /nfs/dbraw/zinc/99/40/74/476994074.db2.gz GHLKDDVJPKJVTQ-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423322245 476994081 /nfs/dbraw/zinc/99/40/81/476994081.db2.gz GHLKDDVJPKJVTQ-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423329459 476996069 /nfs/dbraw/zinc/99/60/69/476996069.db2.gz SVHIOBOGCVTVCE-FZKQIMNGSA-N 1 3 336.501 2.791 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000423356230 477002357 /nfs/dbraw/zinc/00/23/57/477002357.db2.gz JQTBSIJEHUHXJC-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)c1 ZINC000423356230 477002362 /nfs/dbraw/zinc/00/23/62/477002362.db2.gz JQTBSIJEHUHXJC-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423353094 477003093 /nfs/dbraw/zinc/00/30/93/477003093.db2.gz AYUUNXNJGOIMCH-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423353094 477003099 /nfs/dbraw/zinc/00/30/99/477003099.db2.gz AYUUNXNJGOIMCH-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3NCCCC3(C)C)C2)CC1 ZINC000423354208 477003121 /nfs/dbraw/zinc/00/31/21/477003121.db2.gz FUVPTSYGSLCAGZ-MSOLQXFVSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H](C)[NH3+] ZINC000423357089 477005001 /nfs/dbraw/zinc/00/50/01/477005001.db2.gz LMCDVRLUZFIKMZ-RHSMWYFYSA-N 1 3 337.533 2.696 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000423365337 477006576 /nfs/dbraw/zinc/00/65/76/477006576.db2.gz WQJOQSOWOPQIDK-NVXWUHKLSA-N 1 3 349.544 2.855 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423365271 477006626 /nfs/dbraw/zinc/00/66/26/477006626.db2.gz WJTFVTYEZNOXIW-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423365271 477006631 /nfs/dbraw/zinc/00/66/31/477006631.db2.gz WJTFVTYEZNOXIW-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423368405 477006704 /nfs/dbraw/zinc/00/67/04/477006704.db2.gz ZSKMPIGJVVUFBU-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423368405 477006712 /nfs/dbraw/zinc/00/67/12/477006712.db2.gz ZSKMPIGJVVUFBU-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO Fc1ccc([C@H]2CCNC[C@@H]2[NH2+]C2CCN(C3CC3)CC2)cc1F ZINC000423364042 477006728 /nfs/dbraw/zinc/00/67/28/477006728.db2.gz JHFXSSDOODXNKV-APWZRJJASA-N 1 3 335.442 2.627 20 0 EFADHO Cc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000423370996 477009058 /nfs/dbraw/zinc/00/90/58/477009058.db2.gz ACHPMFCZQJOUAV-ZBFHGGJFSA-N 1 3 329.410 2.790 20 0 EFADHO FC(F)(F)[C@H](CN[C@H](c1ccccc1)C1CC1)N1CC[NH2+]CC1 ZINC000423375185 477010153 /nfs/dbraw/zinc/01/01/53/477010153.db2.gz CXRKOOHSFGCIOT-JKSUJKDBSA-N 1 3 327.394 2.563 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423380204 477011774 /nfs/dbraw/zinc/01/17/74/477011774.db2.gz HBNOGUNORMGAEN-IRXDYDNUSA-N 1 3 341.421 2.880 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCCCc2ccccc21)N1CC[NH2+]CC1 ZINC000423380202 477013065 /nfs/dbraw/zinc/01/30/65/477013065.db2.gz HBNOGUNORMGAEN-DLBZAZTESA-N 1 3 341.421 2.880 20 0 EFADHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423389028 477014388 /nfs/dbraw/zinc/01/43/88/477014388.db2.gz NGLUZMNYPKBFSL-ONGXEEELSA-N 1 3 341.830 2.888 20 0 EFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C)c1 ZINC000423399836 477016826 /nfs/dbraw/zinc/01/68/26/477016826.db2.gz UREIUGYLRNJWMS-HZPDHXFCSA-N 1 3 329.410 2.872 20 0 EFADHO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399728 477018129 /nfs/dbraw/zinc/01/81/29/477018129.db2.gz UWHORTYYZRZZFU-HRAATJIYSA-N 1 3 336.483 2.685 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423401067 477019005 /nfs/dbraw/zinc/01/90/05/477019005.db2.gz GENXMVKNVGQVKV-AEFFLSMTSA-N 1 3 331.504 2.807 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423401067 477019007 /nfs/dbraw/zinc/01/90/07/477019007.db2.gz GENXMVKNVGQVKV-AEFFLSMTSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1NCCCC1(C)C ZINC000423403159 477019385 /nfs/dbraw/zinc/01/93/85/477019385.db2.gz YZHFZSJSGAZQEE-BHIYHBOVSA-N 1 3 330.520 2.660 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423403159 477019393 /nfs/dbraw/zinc/01/93/93/477019393.db2.gz YZHFZSJSGAZQEE-BHIYHBOVSA-N 1 3 330.520 2.660 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598475 477019723 /nfs/dbraw/zinc/01/97/23/477019723.db2.gz HPGBEYBFICHAOK-HOJAQTOUSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598475 477019730 /nfs/dbraw/zinc/01/97/30/477019730.db2.gz HPGBEYBFICHAOK-HOJAQTOUSA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCCN2C2CC2)[C@H](C)C1 ZINC000447598475 477019737 /nfs/dbraw/zinc/01/97/37/477019737.db2.gz HPGBEYBFICHAOK-HOJAQTOUSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000447594591 477020150 /nfs/dbraw/zinc/02/01/50/477020150.db2.gz ZYCDQRKKEVWPPQ-YTQUADARSA-N 1 3 345.531 2.690 20 0 EFADHO Cc1cccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000423404299 477021128 /nfs/dbraw/zinc/02/11/28/477021128.db2.gz ZVFOAFALVIGOHL-HOCLYGCPSA-N 1 3 329.410 2.790 20 0 EFADHO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCOCCN(C)C ZINC000447604139 477021657 /nfs/dbraw/zinc/02/16/57/477021657.db2.gz YUBGWGLLMCQRAX-LBPRGKRZSA-N 1 3 347.272 2.687 20 0 EFADHO CCc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403686 477022061 /nfs/dbraw/zinc/02/20/61/477022061.db2.gz ZIDYQEHEBPJHKZ-CZUORRHYSA-N 1 3 329.410 2.736 20 0 EFADHO COCC1(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC[NH2+]CC1 ZINC000423411617 477023102 /nfs/dbraw/zinc/02/31/02/477023102.db2.gz UYJGVODMIWHIDV-LJQANCHMSA-N 1 3 343.446 2.916 20 0 EFADHO Cc1cc(NC(=O)CC2(C[NH3+])CC2)ccc1OCCN1CCCC1 ZINC000423408615 477023699 /nfs/dbraw/zinc/02/36/99/477023699.db2.gz ANVDHPNEQFTMHR-UHFFFAOYSA-N 1 3 331.460 2.537 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H](N)C2CCC2)CCCC1)c1ccccc1 ZINC000423411187 477023779 /nfs/dbraw/zinc/02/37/79/477023779.db2.gz TULKAYQQUSMOMX-CRAIPNDOSA-N 1 3 329.488 2.894 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3NCCCC3(C)C)cc21 ZINC000423430848 477032189 /nfs/dbraw/zinc/03/21/89/477032189.db2.gz UQFIFOIUHPROQS-SFHVURJKSA-N 1 3 342.487 2.920 20 0 EFADHO C[C@@H](N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423438791 477033131 /nfs/dbraw/zinc/03/31/31/477033131.db2.gz NIIGICKYPSXYHU-MDASCCDHSA-N 1 3 327.472 2.852 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1 ZINC000457465700 477033443 /nfs/dbraw/zinc/03/34/43/477033443.db2.gz RMNDSHKDOSSNJL-UHFFFAOYSA-N 1 3 345.487 2.830 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423452543 477036548 /nfs/dbraw/zinc/03/65/48/477036548.db2.gz ZBFKAVYXFXJYRS-AEFFLSMTSA-N 1 3 331.504 2.903 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000423484193 477043802 /nfs/dbraw/zinc/04/38/02/477043802.db2.gz ZYPLBCIZFIREER-VKSDOSABSA-N 1 3 331.479 2.734 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000416158146 477044849 /nfs/dbraw/zinc/04/48/49/477044849.db2.gz FIYIZCQROYPIIZ-PKOBYXMFSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1CNCCCO1 ZINC000423489553 477046755 /nfs/dbraw/zinc/04/67/55/477046755.db2.gz GJGILNFVHGJPQZ-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000423489553 477046759 /nfs/dbraw/zinc/04/67/59/477046759.db2.gz GJGILNFVHGJPQZ-CZUORRHYSA-N 1 3 330.394 2.995 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](N)c2ccccc2CC)[C@@H](C)C1 ZINC000423509950 477054366 /nfs/dbraw/zinc/05/43/66/477054366.db2.gz RSSZMMUHDAAUME-WMQCIHAUSA-N 1 3 347.547 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](N)c2ccccc2CC)[C@@H](C)C1 ZINC000423509950 477054370 /nfs/dbraw/zinc/05/43/70/477054370.db2.gz RSSZMMUHDAAUME-WMQCIHAUSA-N 1 3 347.547 2.975 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](N)c2ccccc2CC)[C@H](C)C1 ZINC000423509946 477055605 /nfs/dbraw/zinc/05/56/05/477055605.db2.gz RSSZMMUHDAAUME-QMMLZNLJSA-N 1 3 347.547 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](N)c2ccccc2CC)[C@H](C)C1 ZINC000423509946 477055608 /nfs/dbraw/zinc/05/56/08/477055608.db2.gz RSSZMMUHDAAUME-QMMLZNLJSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000431649116 477067449 /nfs/dbraw/zinc/06/74/49/477067449.db2.gz NJUKDKQBVYUZNO-AEFFLSMTSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncc(Br)s1 ZINC000423541414 477068962 /nfs/dbraw/zinc/06/89/62/477068962.db2.gz KXMMQMWOPXSKKX-XWLWVQCSSA-N 1 3 330.295 2.944 20 0 EFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000423548223 477070131 /nfs/dbraw/zinc/07/01/31/477070131.db2.gz DVXBBKPNRGXNSR-INIZCTEOSA-N 1 3 342.462 2.865 20 0 EFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000423575971 477072956 /nfs/dbraw/zinc/07/29/56/477072956.db2.gz QSFMAPJGQCRFCR-MRXNPFEDSA-N 1 3 342.462 2.865 20 0 EFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423573588 477073907 /nfs/dbraw/zinc/07/39/07/477073907.db2.gz OWPFAZAKSGNSNK-MRXNPFEDSA-N 1 3 342.462 2.865 20 0 EFADHO C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CCN(C2CC2)C1 ZINC000416237799 477085848 /nfs/dbraw/zinc/08/58/48/477085848.db2.gz FXBZNWULOGMPQM-APWZRJJASA-N 1 3 329.488 2.622 20 0 EFADHO CN(CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000431761459 477091587 /nfs/dbraw/zinc/09/15/87/477091587.db2.gz ZPWOGXDRNIDKIE-HXUWFJFHSA-N 1 3 339.483 2.928 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CCN1CCc2ccccc2C1 ZINC000416246199 477091620 /nfs/dbraw/zinc/09/16/20/477091620.db2.gz UPABZYUVUMFZEK-PXNSSMCTSA-N 1 3 341.499 2.520 20 0 EFADHO CN(C)CC[NH+]1CCC(CNCc2ncc(C(C)(C)C)s2)CC1 ZINC000447933647 477096278 /nfs/dbraw/zinc/09/62/78/477096278.db2.gz URGWGPSXFDKZSA-UHFFFAOYSA-N 1 3 338.565 2.804 20 0 EFADHO CN(C)[C@H](CC(=O)N1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000431797159 477096958 /nfs/dbraw/zinc/09/69/58/477096958.db2.gz WFCJMUAWPLYGCL-LJQANCHMSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)C[NH+]1CCCCC1 ZINC000447954106 477101334 /nfs/dbraw/zinc/10/13/34/477101334.db2.gz KQEODMXELHVGOF-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431852403 477107933 /nfs/dbraw/zinc/10/79/33/477107933.db2.gz WYUUMNARPAUHNB-MJGOQNOKSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000431852403 477107939 /nfs/dbraw/zinc/10/79/39/477107939.db2.gz WYUUMNARPAUHNB-MJGOQNOKSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431852404 477108318 /nfs/dbraw/zinc/10/83/18/477108318.db2.gz WYUUMNARPAUHNB-PKOBYXMFSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431852404 477108326 /nfs/dbraw/zinc/10/83/26/477108326.db2.gz WYUUMNARPAUHNB-PKOBYXMFSA-N 1 3 331.504 2.774 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431851323 477109107 /nfs/dbraw/zinc/10/91/07/477109107.db2.gz NKQISXZJHIHAPQ-LJQANCHMSA-N 1 3 343.471 2.863 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000431895255 477115877 /nfs/dbraw/zinc/11/58/77/477115877.db2.gz ZUQHUPVIOOGTRV-FQEVSTJZSA-N 1 3 345.531 2.976 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2N(C)CCCC2(C)C)[C@H](C)C1 ZINC000448030822 477119567 /nfs/dbraw/zinc/11/95/67/477119567.db2.gz SVXFJJSAXKJQLX-QYZOEREBSA-N 1 3 339.568 2.833 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000448034985 477120982 /nfs/dbraw/zinc/12/09/82/477120982.db2.gz MXIFXFXMRLOFMN-MRXNPFEDSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H]1N(C)CCCC1(C)C)C(C)C ZINC000448044303 477122441 /nfs/dbraw/zinc/12/24/41/477122441.db2.gz SWDLUABKBXNJBM-MRXNPFEDSA-N 1 3 326.529 2.525 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423731927 477126233 /nfs/dbraw/zinc/12/62/33/477126233.db2.gz RRXWTZZQFSKFGD-OGWHTMIXSA-N 1 3 329.488 2.940 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000423731927 477126237 /nfs/dbraw/zinc/12/62/37/477126237.db2.gz RRXWTZZQFSKFGD-OGWHTMIXSA-N 1 3 329.488 2.940 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](CN)c1ccccc1 ZINC000423741847 477129064 /nfs/dbraw/zinc/12/90/64/477129064.db2.gz KQSKTZKNVKGHDH-HXUWFJFHSA-N 1 3 339.483 2.839 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423741682 477129211 /nfs/dbraw/zinc/12/92/11/477129211.db2.gz HYSXVNHSBAWHDF-DOTOQJQBSA-N 1 3 337.895 2.748 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423750188 477132214 /nfs/dbraw/zinc/13/22/14/477132214.db2.gz SWNQHBBASMGZAN-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](N)Cc1ccccc1 ZINC000423747531 477132291 /nfs/dbraw/zinc/13/22/91/477132291.db2.gz SLCDQTIHVVCLDL-HXUWFJFHSA-N 1 3 339.483 2.667 20 0 EFADHO C[C@@H]([NH3+])[C@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757943 477135420 /nfs/dbraw/zinc/13/54/20/477135420.db2.gz NDLZTXBKKTVUHX-LSDHHAIUSA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC1CC[NH2+]CC1 ZINC000423754969 477135584 /nfs/dbraw/zinc/13/55/84/477135584.db2.gz ZXWVHAJJEFYCGX-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO [NH3+]CC1(CC(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)CC1 ZINC000423764077 477136122 /nfs/dbraw/zinc/13/61/22/477136122.db2.gz VMTRTEOMNNXGMD-UHFFFAOYSA-N 1 3 349.906 2.893 20 0 EFADHO CC[C@H]1CCCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000376022303 477136454 /nfs/dbraw/zinc/13/64/54/477136454.db2.gz SHEQEBNWOIRSSO-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000423770408 477140069 /nfs/dbraw/zinc/14/00/69/477140069.db2.gz DHIFTBPCUGDUOV-GQIGUUNPSA-N 1 3 337.467 2.957 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCCC1 ZINC000448162547 477140028 /nfs/dbraw/zinc/14/00/28/477140028.db2.gz ZKRLFFJYBZMEBX-IAGOWNOFSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[C@@H](N)c1ccccc1)CC2 ZINC000423787103 477145183 /nfs/dbraw/zinc/14/51/83/477145183.db2.gz WGVLXOHQFPDWBZ-WZGPROSRSA-N 1 3 329.488 2.796 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[C@@H](N)c1ccccc1)CC2 ZINC000423787103 477145190 /nfs/dbraw/zinc/14/51/90/477145190.db2.gz WGVLXOHQFPDWBZ-WZGPROSRSA-N 1 3 329.488 2.796 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000457699090 477150402 /nfs/dbraw/zinc/15/04/02/477150402.db2.gz SCEGXLRRUUSSFH-QZTJIDSGSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000457699093 477150641 /nfs/dbraw/zinc/15/06/41/477150641.db2.gz SCEGXLRRUUSSFH-ZWKOTPCHSA-N 1 3 338.540 2.621 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000448257605 477151694 /nfs/dbraw/zinc/15/16/94/477151694.db2.gz RNWMDDHWLPFKRW-KRWDZBQOSA-N 1 3 338.540 2.718 20 0 EFADHO COCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453067580 477157354 /nfs/dbraw/zinc/15/73/54/477157354.db2.gz JYJJYJBHLVPAOV-AQNXPRMDSA-N 1 3 332.488 2.682 20 0 EFADHO COCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453067580 477157355 /nfs/dbraw/zinc/15/73/55/477157355.db2.gz JYJJYJBHLVPAOV-AQNXPRMDSA-N 1 3 332.488 2.682 20 0 EFADHO COCCOCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453067581 477157556 /nfs/dbraw/zinc/15/75/56/477157556.db2.gz JYJJYJBHLVPAOV-VAMGGRTRSA-N 1 3 332.488 2.682 20 0 EFADHO COCCOCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453067581 477157565 /nfs/dbraw/zinc/15/75/65/477157565.db2.gz JYJJYJBHLVPAOV-VAMGGRTRSA-N 1 3 332.488 2.682 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457726757 477164463 /nfs/dbraw/zinc/16/44/63/477164463.db2.gz FOVBTEVGBBKJBA-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000457726757 477164472 /nfs/dbraw/zinc/16/44/72/477164472.db2.gz FOVBTEVGBBKJBA-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748796 477165791 /nfs/dbraw/zinc/16/57/91/477165791.db2.gz SLXRQCFUUJPBSF-QFBILLFUSA-N 1 3 348.535 2.733 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748796 477165795 /nfs/dbraw/zinc/16/57/95/477165795.db2.gz SLXRQCFUUJPBSF-QFBILLFUSA-N 1 3 348.535 2.733 20 0 EFADHO C[C@@H]1C[C@H](NCCc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000453102264 477168882 /nfs/dbraw/zinc/16/88/82/477168882.db2.gz PIQLSQFXOYPOHB-QAPCUYQASA-N 1 3 328.460 2.662 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423837163 477176468 /nfs/dbraw/zinc/17/64/68/477176468.db2.gz AUGGWYPIBZWKHH-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423837163 477176471 /nfs/dbraw/zinc/17/64/71/477176471.db2.gz AUGGWYPIBZWKHH-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453141702 477177912 /nfs/dbraw/zinc/17/79/12/477177912.db2.gz HMRURYSNKZNIDD-DOIPELPJSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453141702 477177916 /nfs/dbraw/zinc/17/79/16/477177916.db2.gz HMRURYSNKZNIDD-DOIPELPJSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncn1 ZINC000453158663 477183050 /nfs/dbraw/zinc/18/30/50/477183050.db2.gz BMYMQDFRQDGVPP-QGZVFWFLSA-N 1 3 340.471 2.845 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453201501 477190945 /nfs/dbraw/zinc/19/09/45/477190945.db2.gz SCRRJFCKBMJYIU-NJDAHSKKSA-N 1 3 338.499 2.995 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453201501 477190947 /nfs/dbraw/zinc/19/09/47/477190947.db2.gz SCRRJFCKBMJYIU-NJDAHSKKSA-N 1 3 338.499 2.995 20 0 EFADHO N[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903629 477209125 /nfs/dbraw/zinc/20/91/25/477209125.db2.gz NGJQNCBHYGOJFC-ZCNNSNEGSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC000423903629 477209127 /nfs/dbraw/zinc/20/91/27/477209127.db2.gz NGJQNCBHYGOJFC-ZCNNSNEGSA-N 1 3 341.499 2.627 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000432407821 477211102 /nfs/dbraw/zinc/21/11/02/477211102.db2.gz PODIAHIIAUBGIG-CTNGQTDRSA-N 1 3 345.531 2.742 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907625 477212092 /nfs/dbraw/zinc/21/20/92/477212092.db2.gz RMGYBELXJZSBHD-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907625 477212099 /nfs/dbraw/zinc/21/20/99/477212099.db2.gz RMGYBELXJZSBHD-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907612 477212152 /nfs/dbraw/zinc/21/21/52/477212152.db2.gz RMGYBELXJZSBHD-AABGKKOBSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907612 477212159 /nfs/dbraw/zinc/21/21/59/477212159.db2.gz RMGYBELXJZSBHD-AABGKKOBSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910073 477213124 /nfs/dbraw/zinc/21/31/24/477213124.db2.gz UOLHKQNZGOOEAC-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910073 477213127 /nfs/dbraw/zinc/21/31/27/477213127.db2.gz UOLHKQNZGOOEAC-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000453374482 477216139 /nfs/dbraw/zinc/21/61/39/477216139.db2.gz ZJMQFOXONWPXQM-UMSONDCASA-N 1 3 338.499 2.851 20 0 EFADHO Cc1cnc(CC[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)cn1 ZINC000453406541 477223564 /nfs/dbraw/zinc/22/35/64/477223564.db2.gz RMIYBVXXJRHNGE-MRXNPFEDSA-N 1 3 328.460 2.619 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877181 477235765 /nfs/dbraw/zinc/23/57/65/477235765.db2.gz ADBJHSHQMOCMLL-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000423965727 477236645 /nfs/dbraw/zinc/23/66/45/477236645.db2.gz YJLVHDMDALMZHN-JXFKEZNVSA-N 1 3 343.515 2.525 20 0 EFADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000411463816 477245428 /nfs/dbraw/zinc/24/54/28/477245428.db2.gz SSWJNWZEWVQVGU-KRWDZBQOSA-N 1 3 337.895 2.981 20 0 EFADHO Cc1cc(C)cc([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000411466337 477245518 /nfs/dbraw/zinc/24/55/18/477245518.db2.gz RFFURJGZEGQZCL-QGZVFWFLSA-N 1 3 331.504 2.943 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000411475539 477250111 /nfs/dbraw/zinc/25/01/11/477250111.db2.gz DRVAWMNSMUXTJC-HXUWFJFHSA-N 1 3 347.478 2.775 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376274345 477262989 /nfs/dbraw/zinc/26/29/89/477262989.db2.gz LDZQZANAUMFEEK-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N(C)C(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000411532525 477266642 /nfs/dbraw/zinc/26/66/42/477266642.db2.gz MLJOPZMXOSZFAC-IAGOWNOFSA-N 1 3 331.504 2.599 20 0 EFADHO CCN1CCN(c2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000432798384 477268578 /nfs/dbraw/zinc/26/85/78/477268578.db2.gz OZFYMICLZIFUFH-FQEVSTJZSA-N 1 3 344.547 2.745 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000424035726 477268514 /nfs/dbraw/zinc/26/85/14/477268514.db2.gz FZUSWQHBRKZEHG-PKOBYXMFSA-N 1 3 349.494 2.981 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424037836 477268861 /nfs/dbraw/zinc/26/88/61/477268861.db2.gz HOAQDXXNWVEYJV-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000376336341 477289765 /nfs/dbraw/zinc/28/97/65/477289765.db2.gz LVASDQJCWQQDEW-IEBWSBKVSA-N 1 3 329.488 2.720 20 0 EFADHO COCCO[C@@H]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411603125 477290194 /nfs/dbraw/zinc/29/01/94/477290194.db2.gz LPELNKQJUJPUSJ-HXUWFJFHSA-N 1 3 332.488 2.910 20 0 EFADHO CN(C)[C@@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCSC1 ZINC000424134895 477302519 /nfs/dbraw/zinc/30/25/19/477302519.db2.gz OHVWJWZOSGRLPO-SJLPKXTDSA-N 1 3 341.565 2.618 20 0 EFADHO Cc1ccc(C)c(OCCN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027005 477303819 /nfs/dbraw/zinc/30/38/19/477303819.db2.gz DTSCJFNOOPKTGN-PMACEKPBSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027005 477303826 /nfs/dbraw/zinc/30/38/26/477303826.db2.gz DTSCJFNOOPKTGN-PMACEKPBSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027005 477303831 /nfs/dbraw/zinc/30/38/31/477303831.db2.gz DTSCJFNOOPKTGN-PMACEKPBSA-N 1 3 345.531 2.640 20 0 EFADHO COCC[C@@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000411641093 477306383 /nfs/dbraw/zinc/30/63/83/477306383.db2.gz LMARHVWNERPETL-HXUWFJFHSA-N 1 3 332.488 2.958 20 0 EFADHO CCC[C@H]1CCC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448832520 477307583 /nfs/dbraw/zinc/30/75/83/477307583.db2.gz DBHTYRRCDICDGM-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO COC1(CO)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411644697 477308062 /nfs/dbraw/zinc/30/80/62/477308062.db2.gz RKKOGVPTFGUPBW-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@@H]1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1C ZINC000448837055 477309509 /nfs/dbraw/zinc/30/95/09/477309509.db2.gz ROKPSSHAPVDCLT-IXDOHACOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccc(Br)cc1 ZINC000433500898 477323470 /nfs/dbraw/zinc/32/34/70/477323470.db2.gz BIGLSGSGKMLZCK-OAHLLOKOSA-N 1 3 342.281 2.741 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000416831318 477327632 /nfs/dbraw/zinc/32/76/32/477327632.db2.gz AWNVGCGETOJLED-MJGOQNOKSA-N 1 3 346.519 2.840 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000416834414 477329958 /nfs/dbraw/zinc/32/99/58/477329958.db2.gz DHSCOHHIFLJKPQ-GOSISDBHSA-N 1 3 346.519 2.758 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000434356930 477333187 /nfs/dbraw/zinc/33/31/87/477333187.db2.gz ZWNBIXONTMZYIW-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C ZINC000434356835 477333230 /nfs/dbraw/zinc/33/32/30/477333230.db2.gz YYSYZXLDHNIPAM-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@H]1C ZINC000434356835 477333238 /nfs/dbraw/zinc/33/32/38/477333238.db2.gz YYSYZXLDHNIPAM-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416843012 477333257 /nfs/dbraw/zinc/33/32/57/477333257.db2.gz OHAUNJWTCWPLFL-MSOLQXFVSA-N 1 3 332.492 2.511 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000434354486 477333524 /nfs/dbraw/zinc/33/35/24/477333524.db2.gz JGKFDGAWGJPMOM-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000416843195 477333677 /nfs/dbraw/zinc/33/36/77/477333677.db2.gz OHAUNJWTCWPLFL-QZTJIDSGSA-N 1 3 332.492 2.511 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217918 477333682 /nfs/dbraw/zinc/33/36/82/477333682.db2.gz PFKNEJXBSFFVQO-PXCRPINLSA-N 1 3 341.499 2.627 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000416846810 477334874 /nfs/dbraw/zinc/33/48/74/477334874.db2.gz UNRWSIIWIBIBMB-QXAKKESOSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435682094 477349948 /nfs/dbraw/zinc/34/99/48/477349948.db2.gz MHWWQVUUYCOBHJ-QGZVFWFLSA-N 1 3 330.501 2.668 20 0 EFADHO C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)CN1 ZINC000416882962 477352069 /nfs/dbraw/zinc/35/20/69/477352069.db2.gz ATTLKEZMYPMHCV-IAGOWNOFSA-N 1 3 344.503 2.564 20 0 EFADHO CO[C@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000367126359 477355151 /nfs/dbraw/zinc/35/51/51/477355151.db2.gz MFCIGDYNWSKLOF-HXUWFJFHSA-N 1 3 345.531 2.724 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N[C@@H](c1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424288666 477356434 /nfs/dbraw/zinc/35/64/34/477356434.db2.gz KXBDXTVFUBYDRZ-UZLBHIALSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424296779 477362503 /nfs/dbraw/zinc/36/25/03/477362503.db2.gz SHUQDZGDMWTUIW-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1Cl ZINC000424300541 477364098 /nfs/dbraw/zinc/36/40/98/477364098.db2.gz WPLQJMRAEZVPNF-HUUCEWRRSA-N 1 3 349.906 2.981 20 0 EFADHO [NH3+]C[C@@H](CN1CCNC[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000424305485 477364616 /nfs/dbraw/zinc/36/46/16/477364616.db2.gz SLOAVJPMSZVLCW-LPHOPBHVSA-N 1 3 331.410 2.654 20 0 EFADHO [NH3+]C[C@H](CN1CCNC[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000424305487 477365084 /nfs/dbraw/zinc/36/50/84/477365084.db2.gz SLOAVJPMSZVLCW-VQIMIIECSA-N 1 3 331.410 2.654 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000376504772 477368269 /nfs/dbraw/zinc/36/82/69/477368269.db2.gz FGZHOAOBLKUDNR-BRWVUGGUSA-N 1 3 340.508 2.539 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000424317099 477369542 /nfs/dbraw/zinc/36/95/42/477369542.db2.gz NWRYOJRMDKAFMB-YRPNKDGESA-N 1 3 340.471 2.675 20 0 EFADHO Cn1cc([C@@H]2OCC[C@H]2N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000424317099 477369550 /nfs/dbraw/zinc/36/95/50/477369550.db2.gz NWRYOJRMDKAFMB-YRPNKDGESA-N 1 3 340.471 2.675 20 0 EFADHO COc1ccc(CN2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1OC ZINC000424368577 477381301 /nfs/dbraw/zinc/38/13/01/477381301.db2.gz AOVUIIPFXXZUGY-CQSZACIVSA-N 1 3 334.460 2.676 20 0 EFADHO COc1cc2c(c(CN3CC4(C[C@H]3C)CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000424388568 477387450 /nfs/dbraw/zinc/38/74/50/477387450.db2.gz ZCVSZVJMWVUMDZ-CABCVRRESA-N 1 3 330.472 2.983 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000376553263 477397191 /nfs/dbraw/zinc/39/71/91/477397191.db2.gz MLLMEHFWHQGCBN-AZUAARDMSA-N 1 3 330.520 2.881 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)CC1 ZINC000376553263 477397198 /nfs/dbraw/zinc/39/71/98/477397198.db2.gz MLLMEHFWHQGCBN-AZUAARDMSA-N 1 3 330.520 2.881 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000424432846 477405398 /nfs/dbraw/zinc/40/53/98/477405398.db2.gz CTDBYMSHTMSYEN-UHFFFAOYSA-N 1 3 326.444 2.837 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000424444787 477410791 /nfs/dbraw/zinc/41/07/91/477410791.db2.gz NLHGINKBKNCWDI-GOSISDBHSA-N 1 3 326.444 2.878 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000449057788 477414954 /nfs/dbraw/zinc/41/49/54/477414954.db2.gz DZIHIXFNZKHTRA-LJQANCHMSA-N 1 3 344.499 2.835 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000424458946 477415000 /nfs/dbraw/zinc/41/50/00/477415000.db2.gz DLQSHDWHOCFRRS-NXWXRZEISA-N 1 3 344.503 2.609 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000424458947 477415060 /nfs/dbraw/zinc/41/50/60/477415060.db2.gz DLQSHDWHOCFRRS-QXCFHYIPSA-N 1 3 344.503 2.609 20 0 EFADHO CCOC(=O)c1cc(CNCc2ccc(C[NH+](C)C)cc2)[nH]c1C ZINC000449065348 477417829 /nfs/dbraw/zinc/41/78/29/477417829.db2.gz ZCLYRNAVWLXNCN-UHFFFAOYSA-N 1 3 329.444 2.851 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccsc1 ZINC000417011551 477420528 /nfs/dbraw/zinc/42/05/28/477420528.db2.gz SJVXXYKUMOBJCF-JKSUJKDBSA-N 1 3 338.521 2.524 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449069542 477420678 /nfs/dbraw/zinc/42/06/78/477420678.db2.gz XTQUYBAMBQVSNE-OAHLLOKOSA-N 1 3 338.517 2.656 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccsc1 ZINC000417011550 477421089 /nfs/dbraw/zinc/42/10/89/477421089.db2.gz SJVXXYKUMOBJCF-HZPDHXFCSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccsc1 ZINC000417011548 477421418 /nfs/dbraw/zinc/42/14/18/477421418.db2.gz SJVXXYKUMOBJCF-CVEARBPZSA-N 1 3 338.521 2.524 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000417011296 477421446 /nfs/dbraw/zinc/42/14/46/477421446.db2.gz RLDJOOFJDZBZJL-NUEKZKHPSA-N 1 3 338.521 2.571 20 0 EFADHO COc1cccc2c(C[NH2+]C3CCN(CCN(C)C)CC3)cccc12 ZINC000449073168 477421860 /nfs/dbraw/zinc/42/18/60/477421860.db2.gz HUCORSHIWLIVPT-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000417012126 477422413 /nfs/dbraw/zinc/42/24/13/477422413.db2.gz VTZUBAUCOARLPS-OFQRWUPVSA-N 1 3 338.521 2.523 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@@H](C)[C@@H]1C)c1ccsc1 ZINC000417012126 477422420 /nfs/dbraw/zinc/42/24/20/477422420.db2.gz VTZUBAUCOARLPS-OFQRWUPVSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)c1ccsc1 ZINC000417012126 477422423 /nfs/dbraw/zinc/42/24/23/477422423.db2.gz VTZUBAUCOARLPS-OFQRWUPVSA-N 1 3 338.521 2.523 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417021760 477427231 /nfs/dbraw/zinc/42/72/31/477427231.db2.gz KDSKCEOCJSWQED-RTBURBONSA-N 1 3 344.503 2.655 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417030052 477432111 /nfs/dbraw/zinc/43/21/11/477432111.db2.gz PIKPSOSMDJRONF-ROUUACIJSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417050174 477441171 /nfs/dbraw/zinc/44/11/71/477441171.db2.gz WCRPWYGBCKRGKS-SCTDSRPQSA-N 1 3 346.519 2.744 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](N)c2ccccc2)C1 ZINC000417050174 477441177 /nfs/dbraw/zinc/44/11/77/477441177.db2.gz WCRPWYGBCKRGKS-SCTDSRPQSA-N 1 3 346.519 2.744 20 0 EFADHO C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000436253677 477449878 /nfs/dbraw/zinc/44/98/78/477449878.db2.gz QJSMZRDVHHYKSO-BZUAXINKSA-N 1 3 333.476 2.827 20 0 EFADHO C[C@@H](CNCC[N@H+](C)C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125037 477450363 /nfs/dbraw/zinc/45/03/63/477450363.db2.gz IAAXCNNGFCCKOU-HNNXBMFYSA-N 1 3 338.517 2.658 20 0 EFADHO C[C@@H](CNCC[N@@H+](C)C1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449125037 477450367 /nfs/dbraw/zinc/45/03/67/477450367.db2.gz IAAXCNNGFCCKOU-HNNXBMFYSA-N 1 3 338.517 2.658 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436269006 477453473 /nfs/dbraw/zinc/45/34/73/477453473.db2.gz JIDDAVMHWQWIHM-UHFFFAOYSA-N 1 3 332.467 2.814 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+](C)C ZINC000458508330 477455791 /nfs/dbraw/zinc/45/57/91/477455791.db2.gz OVFPIQINPLUPIW-FUHWJXTLSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449166814 477466380 /nfs/dbraw/zinc/46/63/80/477466380.db2.gz GHNIVHOLILRXGY-QGZVFWFLSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449166814 477466386 /nfs/dbraw/zinc/46/63/86/477466386.db2.gz GHNIVHOLILRXGY-QGZVFWFLSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000418338141 477470804 /nfs/dbraw/zinc/47/08/04/477470804.db2.gz YWOLMQHHGJVWLI-IPELMVKDSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000418338141 477470808 /nfs/dbraw/zinc/47/08/08/477470808.db2.gz YWOLMQHHGJVWLI-IPELMVKDSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000418342624 477471041 /nfs/dbraw/zinc/47/10/41/477471041.db2.gz FGWRROOQVCTGTF-QZTJIDSGSA-N 1 3 332.492 2.627 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000418367925 477472368 /nfs/dbraw/zinc/47/23/68/477472368.db2.gz ZZSUZGDURFRSPC-APWZRJJASA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000418367925 477472372 /nfs/dbraw/zinc/47/23/72/477472372.db2.gz ZZSUZGDURFRSPC-APWZRJJASA-N 1 3 346.519 2.793 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000418364857 477472736 /nfs/dbraw/zinc/47/27/36/477472736.db2.gz WXHVYYNZLFMYJC-CRAIPNDOSA-N 1 3 332.492 2.580 20 0 EFADHO CCn1nnc(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000449179706 477473390 /nfs/dbraw/zinc/47/33/90/477473390.db2.gz WMFJGUSAHYYVFP-QAPCUYQASA-N 1 3 327.476 2.749 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418484255 477474904 /nfs/dbraw/zinc/47/49/04/477474904.db2.gz GIEZAKYZHXBRDI-LJQANCHMSA-N 1 3 342.487 2.823 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418438393 477475312 /nfs/dbraw/zinc/47/53/12/477475312.db2.gz XWBOFXPJNRMCRY-ZWKOTPCHSA-N 1 3 346.519 2.714 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418484254 477475642 /nfs/dbraw/zinc/47/56/42/477475642.db2.gz GIEZAKYZHXBRDI-IBGZPJMESA-N 1 3 342.487 2.823 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418673490 477483083 /nfs/dbraw/zinc/48/30/83/477483083.db2.gz OBDKLAOGMJDEQJ-ROUUACIJSA-N 1 3 346.519 2.810 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449218563 477493251 /nfs/dbraw/zinc/49/32/51/477493251.db2.gz JOYDLUNTTHEWMS-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO COc1cc2ccccc2cc1CNCCN1CCC([NH+](C)C)CC1 ZINC000449227738 477496354 /nfs/dbraw/zinc/49/63/54/477496354.db2.gz VZCMGWZCIVBSLU-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO COc1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413066522 477497142 /nfs/dbraw/zinc/49/71/42/477497142.db2.gz VYEBMXOLMQUSGB-ZIAGYGMSSA-N 1 3 327.428 2.713 20 0 EFADHO COc1cc2nccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413066522 477497151 /nfs/dbraw/zinc/49/71/51/477497151.db2.gz VYEBMXOLMQUSGB-ZIAGYGMSSA-N 1 3 327.428 2.713 20 0 EFADHO COc1ccc(-n2cc(CNCC3(C)CC[NH+](C)CC3)cn2)cc1 ZINC000449230789 477497822 /nfs/dbraw/zinc/49/78/22/477497822.db2.gz MGHJVIDHJLOOAT-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNc2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413076432 477502676 /nfs/dbraw/zinc/50/26/76/477502676.db2.gz SWDSGCBSTYBQGI-AWEZNQCLSA-N 1 3 329.444 2.818 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNc2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413076432 477502683 /nfs/dbraw/zinc/50/26/83/477502683.db2.gz SWDSGCBSTYBQGI-AWEZNQCLSA-N 1 3 329.444 2.818 20 0 EFADHO CN(Cc1ccccc1)[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)C1CC1 ZINC000458685521 477546637 /nfs/dbraw/zinc/54/66/37/477546637.db2.gz VDTOBCLFMKDGSG-SFHVURJKSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN(Cc2ccccn2)CC1)N1CCCCC1 ZINC000419691493 477555930 /nfs/dbraw/zinc/55/59/30/477555930.db2.gz WVUPJBBAVFUVRA-SFHVURJKSA-N 1 3 330.520 2.900 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C2CCC(OC)CC2)CC1 ZINC000419780268 477568696 /nfs/dbraw/zinc/56/86/96/477568696.db2.gz MRRGVSLJUPGYBQ-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449656435 477569782 /nfs/dbraw/zinc/56/97/82/477569782.db2.gz KWCRXNQIGMJTBQ-FGTMMUONSA-N 1 3 334.508 2.843 20 0 EFADHO CC(C)Oc1ccc2nccc(N3CCC([NH2+]CCO)CC3)c2c1 ZINC000450412630 477595046 /nfs/dbraw/zinc/59/50/46/477595046.db2.gz RCMSMWBEOQYACB-UHFFFAOYSA-N 1 3 329.444 2.573 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000458788400 477596715 /nfs/dbraw/zinc/59/67/15/477596715.db2.gz YCRRMBZFLMYPSX-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H](c1ccccc1)N(C)C ZINC000458788400 477596721 /nfs/dbraw/zinc/59/67/21/477596721.db2.gz YCRRMBZFLMYPSX-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000458788415 477597165 /nfs/dbraw/zinc/59/71/65/477597165.db2.gz YESADCOOFNBFTC-LNLFQRSKSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000458788415 477597172 /nfs/dbraw/zinc/59/71/72/477597172.db2.gz YESADCOOFNBFTC-LNLFQRSKSA-N 1 3 346.519 2.709 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367613722 477600415 /nfs/dbraw/zinc/60/04/15/477600415.db2.gz DILWSNLCINFKFI-GOSISDBHSA-N 1 3 333.524 2.647 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000425048317 477616555 /nfs/dbraw/zinc/61/65/55/477616555.db2.gz BKOWGUSXHSHQTG-VQTJNVASSA-N 1 3 341.499 2.839 20 0 EFADHO CCN1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413395245 477661282 /nfs/dbraw/zinc/66/12/82/477661282.db2.gz BSFHIOOWEAWKGX-UHFFFAOYSA-N 1 3 329.488 2.840 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCCN(C(C)C)CC1 ZINC000458938246 477666029 /nfs/dbraw/zinc/66/60/29/477666029.db2.gz OZXBKQUHZWNDLC-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC1 ZINC000437088086 477669097 /nfs/dbraw/zinc/66/90/97/477669097.db2.gz PWPGEPREQYTGHM-XUVXKRRUSA-N 1 3 327.516 2.971 20 0 EFADHO COc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420295434 477670206 /nfs/dbraw/zinc/67/02/06/477670206.db2.gz AIGFZIRKIDSUTM-HBMCJLEFSA-N 1 3 340.467 2.763 20 0 EFADHO COc1cccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC000420295434 477670210 /nfs/dbraw/zinc/67/02/10/477670210.db2.gz AIGFZIRKIDSUTM-HBMCJLEFSA-N 1 3 340.467 2.763 20 0 EFADHO O=C(c1cccc(Cl)c1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420301701 477673777 /nfs/dbraw/zinc/67/37/77/477673777.db2.gz ITVUMUANCVQPLP-MRXNPFEDSA-N 1 3 349.906 2.878 20 0 EFADHO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420305827 477677088 /nfs/dbraw/zinc/67/70/88/477677088.db2.gz QAWSBJIAWNSCKK-YYWHXJBOSA-N 1 3 326.484 2.789 20 0 EFADHO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](N)Cc2ccccc2)cc1 ZINC000420305827 477677093 /nfs/dbraw/zinc/67/70/93/477677093.db2.gz QAWSBJIAWNSCKK-YYWHXJBOSA-N 1 3 326.484 2.789 20 0 EFADHO Cc1ccc(C[C@H](C)N(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420305827 477677100 /nfs/dbraw/zinc/67/71/00/477677100.db2.gz QAWSBJIAWNSCKK-YYWHXJBOSA-N 1 3 326.484 2.789 20 0 EFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420308467 477678907 /nfs/dbraw/zinc/67/89/07/477678907.db2.gz SHDKIYYRLWLXEO-WMLDXEAASA-N 1 3 335.879 2.767 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000377194641 477686434 /nfs/dbraw/zinc/68/64/34/477686434.db2.gz BKJFGHPFOCSYJW-PKOBYXMFSA-N 1 3 343.519 2.501 20 0 EFADHO [NH3+]CC[C@H]1CCCN(CCOc2ccccc2Br)C1 ZINC000420315566 477686765 /nfs/dbraw/zinc/68/67/65/477686765.db2.gz RZURFBUCBHKPPT-CYBMUJFWSA-N 1 3 327.266 2.889 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(c2ccccc2)C1 ZINC000377194630 477687373 /nfs/dbraw/zinc/68/73/73/477687373.db2.gz BKJFGHPFOCSYJW-HKUYNNGSSA-N 1 3 343.519 2.501 20 0 EFADHO COCC[N@@H+](Cc1ccccc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420320523 477690988 /nfs/dbraw/zinc/69/09/88/477690988.db2.gz QLVDPBXUHYCTKN-IBGZPJMESA-N 1 3 328.456 2.886 20 0 EFADHO COCC[N@H+](Cc1ccccc1)C[C@H](CN)c1ccc(OC)cc1 ZINC000420320523 477690993 /nfs/dbraw/zinc/69/09/93/477690993.db2.gz QLVDPBXUHYCTKN-IBGZPJMESA-N 1 3 328.456 2.886 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320860 477691316 /nfs/dbraw/zinc/69/13/16/477691316.db2.gz QKRHZSRWVBCMQJ-ROUUACIJSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320860 477691321 /nfs/dbraw/zinc/69/13/21/477691321.db2.gz QKRHZSRWVBCMQJ-ROUUACIJSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000420320860 477691329 /nfs/dbraw/zinc/69/13/29/477691329.db2.gz QKRHZSRWVBCMQJ-ROUUACIJSA-N 1 3 328.460 2.580 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420323585 477691646 /nfs/dbraw/zinc/69/16/46/477691646.db2.gz GDZUJOSALXDUJE-WOJBJXKFSA-N 1 3 343.515 2.894 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1ccccc1Br ZINC000420323873 477694005 /nfs/dbraw/zinc/69/40/05/477694005.db2.gz UNXUUWSPPNMFOX-HNNXBMFYSA-N 1 3 342.281 2.741 20 0 EFADHO Fc1cccc(F)c1-n1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420328826 477698808 /nfs/dbraw/zinc/69/88/08/477698808.db2.gz FWNCYNOJZYRXPF-OKILXGFUSA-N 1 3 332.398 2.582 20 0 EFADHO CS[C@@H]1C[N@H+](C[C@H]2CCCCN2C(C)C)C[C@@H]1N1CCCC1 ZINC000450741773 477701802 /nfs/dbraw/zinc/70/18/02/477701802.db2.gz YDOIAAJXIWRSLT-FGTMMUONSA-N 1 3 325.566 2.761 20 0 EFADHO CS[C@@H]1C[N@@H+](C[C@H]2CCCCN2C(C)C)C[C@@H]1N1CCCC1 ZINC000450741773 477701809 /nfs/dbraw/zinc/70/18/09/477701809.db2.gz YDOIAAJXIWRSLT-FGTMMUONSA-N 1 3 325.566 2.761 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333587 477704405 /nfs/dbraw/zinc/70/44/05/477704405.db2.gz FJQYEZRWMSOOPP-PXNSSMCTSA-N 1 3 343.515 2.506 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000420333908 477704501 /nfs/dbraw/zinc/70/45/01/477704501.db2.gz TXVRYYFQMAWHFQ-ZHALLVOQSA-N 1 3 327.472 2.504 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450750955 477704999 /nfs/dbraw/zinc/70/49/99/477704999.db2.gz CEWWJTQEWZLLMY-YHELAOLJSA-N 1 3 348.531 2.878 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450750955 477705005 /nfs/dbraw/zinc/70/50/05/477705005.db2.gz CEWWJTQEWZLLMY-YHELAOLJSA-N 1 3 348.531 2.878 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334955 477705089 /nfs/dbraw/zinc/70/50/89/477705089.db2.gz GYGNLLVYPQIXGV-QRQLOZEOSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335880 477706001 /nfs/dbraw/zinc/70/60/01/477706001.db2.gz HZMORMNCRVFAFY-HYVNUMGLSA-N 1 3 349.906 2.666 20 0 EFADHO COc1ccc(-c2nc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000420336411 477706462 /nfs/dbraw/zinc/70/64/62/477706462.db2.gz MISRMCNHTSNAIN-IYBDPMFKSA-N 1 3 327.428 2.782 20 0 EFADHO Cc1cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338310 477707992 /nfs/dbraw/zinc/70/79/92/477707992.db2.gz XTLCTLZFRNIOMH-KRWDZBQOSA-N 1 3 325.456 2.731 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338310 477707995 /nfs/dbraw/zinc/70/79/95/477707995.db2.gz XTLCTLZFRNIOMH-KRWDZBQOSA-N 1 3 325.456 2.731 20 0 EFADHO Cc1cc(C[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338310 477707999 /nfs/dbraw/zinc/70/79/99/477707999.db2.gz XTLCTLZFRNIOMH-KRWDZBQOSA-N 1 3 325.456 2.731 20 0 EFADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339481 477709924 /nfs/dbraw/zinc/70/99/24/477709924.db2.gz LUVWFRODOGGSRS-BBWFWOEESA-N 1 3 345.487 2.734 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341194 477711142 /nfs/dbraw/zinc/71/11/42/477711142.db2.gz OBGUTEBQANIJIP-VQTJNVASSA-N 1 3 343.515 2.745 20 0 EFADHO [NH3+]C[C@@H](NCCC(=O)NCc1ccccc1Cl)C1CCCCC1 ZINC000420367696 477724864 /nfs/dbraw/zinc/72/48/64/477724864.db2.gz NCTSEZSZSAIIFD-QGZVFWFLSA-N 1 3 337.895 2.844 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1ccc(Cl)cc1F ZINC000420369951 477727233 /nfs/dbraw/zinc/72/72/33/477727233.db2.gz VKLHBLRZXIXPBB-AWEZNQCLSA-N 1 3 327.831 2.785 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000420369951 477727238 /nfs/dbraw/zinc/72/72/38/477727238.db2.gz VKLHBLRZXIXPBB-AWEZNQCLSA-N 1 3 327.831 2.785 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420368523 477727912 /nfs/dbraw/zinc/72/79/12/477727912.db2.gz BANITUXOVUKNCC-FXAWDEMLSA-N 1 3 348.487 2.682 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000420375211 477731216 /nfs/dbraw/zinc/73/12/16/477731216.db2.gz ILVIKODQOWORDO-ZWKOTPCHSA-N 1 3 338.879 2.937 20 0 EFADHO C[C@@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000420395563 477745749 /nfs/dbraw/zinc/74/57/49/477745749.db2.gz DNGPDAHSPOHCQU-TZMCWYRMSA-N 1 3 334.851 2.849 20 0 EFADHO CN1CC=C(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455839401 477764468 /nfs/dbraw/zinc/76/44/68/477764468.db2.gz CJCSMVXSAHEODE-SFHVURJKSA-N 1 3 328.460 2.619 20 0 EFADHO c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000427883016 477783158 /nfs/dbraw/zinc/78/31/58/477783158.db2.gz BCKLKCYBOYEDBM-NMLBUPMWSA-N 1 3 336.483 2.698 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CC=CC4)C3)ccc21 ZINC000455936473 477787644 /nfs/dbraw/zinc/78/76/44/477787644.db2.gz RYNLBXZBYBBARQ-IEBWSBKVSA-N 1 3 340.471 2.714 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC[C@@H]3CCOC3)CC2)c1 ZINC000438062541 477791050 /nfs/dbraw/zinc/79/10/50/477791050.db2.gz FEINIINRDBGJTC-HXUWFJFHSA-N 1 3 345.531 2.913 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000451035354 477798222 /nfs/dbraw/zinc/79/82/22/477798222.db2.gz GRCOKXJDPNIQLB-TZIWHRDSSA-N 1 3 347.547 2.501 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000451035354 477798232 /nfs/dbraw/zinc/79/82/32/477798232.db2.gz GRCOKXJDPNIQLB-TZIWHRDSSA-N 1 3 347.547 2.501 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348875 477800038 /nfs/dbraw/zinc/80/00/38/477800038.db2.gz OMXCQGBKYCAXMM-GVDBMIGSSA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348875 477800044 /nfs/dbraw/zinc/80/00/44/477800044.db2.gz OMXCQGBKYCAXMM-GVDBMIGSSA-N 1 3 337.508 2.802 20 0 EFADHO CC(C)[NH+]1CCC(N(C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420898764 477804997 /nfs/dbraw/zinc/80/49/97/477804997.db2.gz DMUWMRYVWQHKBT-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)N1CCC([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420898764 477805001 /nfs/dbraw/zinc/80/50/01/477805001.db2.gz DMUWMRYVWQHKBT-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC(C)N1CCC([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420898764 477805009 /nfs/dbraw/zinc/80/50/09/477805009.db2.gz DMUWMRYVWQHKBT-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910069 477810568 /nfs/dbraw/zinc/81/05/68/477810568.db2.gz DJBLVNGWYWROTA-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910069 477810578 /nfs/dbraw/zinc/81/05/78/477810578.db2.gz DJBLVNGWYWROTA-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910069 477810582 /nfs/dbraw/zinc/81/05/82/477810582.db2.gz DJBLVNGWYWROTA-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)C[C@H]1C ZINC000420910069 477810588 /nfs/dbraw/zinc/81/05/88/477810588.db2.gz DJBLVNGWYWROTA-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000438303487 477821609 /nfs/dbraw/zinc/82/16/09/477821609.db2.gz SHIBOYQJBJJQLK-JKSUJKDBSA-N 1 3 348.491 2.540 20 0 EFADHO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCCN(C)C)c1 ZINC000438303487 477821614 /nfs/dbraw/zinc/82/16/14/477821614.db2.gz SHIBOYQJBJJQLK-JKSUJKDBSA-N 1 3 348.491 2.540 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438323803 477824149 /nfs/dbraw/zinc/82/41/49/477824149.db2.gz DGSWEJINMMDUFT-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438323803 477824157 /nfs/dbraw/zinc/82/41/57/477824157.db2.gz DGSWEJINMMDUFT-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3C)CC2)CC1 ZINC000515500579 477834140 /nfs/dbraw/zinc/83/41/40/477834140.db2.gz TUPXGVDJEMWGHG-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936410 477834737 /nfs/dbraw/zinc/83/47/37/477834737.db2.gz MVZYTESYOKZCNO-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936410 477834743 /nfs/dbraw/zinc/83/47/43/477834743.db2.gz MVZYTESYOKZCNO-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936410 477834749 /nfs/dbraw/zinc/83/47/49/477834749.db2.gz MVZYTESYOKZCNO-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)[C@@H](C)C1 ZINC000420936410 477834757 /nfs/dbraw/zinc/83/47/57/477834757.db2.gz MVZYTESYOKZCNO-RXVVDRJESA-N 1 3 345.531 2.681 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)CCN(C)c1ccncc1 ZINC000558029758 477841329 /nfs/dbraw/zinc/84/13/29/477841329.db2.gz HVLPWUNIJZPYQQ-UHFFFAOYSA-N 1 3 332.492 2.632 20 0 EFADHO CC[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000515644575 477850067 /nfs/dbraw/zinc/85/00/67/477850067.db2.gz APWQIOBOSPKIRU-RLLQIKCJSA-N 1 3 343.515 2.847 20 0 EFADHO C[C@@H]1C[N@H+](CCc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000459333091 477850290 /nfs/dbraw/zinc/85/02/90/477850290.db2.gz AKYBJYUQMJGSHK-VQIMIIECSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC000459333091 477850298 /nfs/dbraw/zinc/85/02/98/477850298.db2.gz AKYBJYUQMJGSHK-VQIMIIECSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@]1(C)CCCO1 ZINC000428246545 477851784 /nfs/dbraw/zinc/85/17/84/477851784.db2.gz OBYNCDAQNUFRTG-UZLBHIALSA-N 1 3 332.488 2.691 20 0 EFADHO CN(Cc1cccc(CN2CCOCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000420958057 477857049 /nfs/dbraw/zinc/85/70/49/477857049.db2.gz DQMVOHUTRNDJMZ-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN(Cc1cccc(CN2CCOCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000420958057 477857055 /nfs/dbraw/zinc/85/70/55/477857055.db2.gz DQMVOHUTRNDJMZ-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420958057 477857061 /nfs/dbraw/zinc/85/70/61/477857061.db2.gz DQMVOHUTRNDJMZ-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(CN3CCOCC3)c1)C2 ZINC000420958057 477857067 /nfs/dbraw/zinc/85/70/67/477857067.db2.gz DQMVOHUTRNDJMZ-WCRBZPEASA-N 1 3 343.515 2.576 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966205 477862756 /nfs/dbraw/zinc/86/27/56/477862756.db2.gz QOHNJMXYQMXLCE-NQIIRXRSSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420966205 477862762 /nfs/dbraw/zinc/86/27/62/477862762.db2.gz QOHNJMXYQMXLCE-NQIIRXRSSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000459356887 477863322 /nfs/dbraw/zinc/86/33/22/477863322.db2.gz JBTRFZIKAIYOSU-MRXNPFEDSA-N 1 3 343.515 2.626 20 0 EFADHO CNCc1cccc(NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)c1 ZINC000428304926 477865478 /nfs/dbraw/zinc/86/54/78/477865478.db2.gz ZTYUYSPOCLTKNG-UHFFFAOYSA-N 1 3 336.439 2.962 20 0 EFADHO C[N@H+](CCn1cc(Cl)cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000459371030 477871993 /nfs/dbraw/zinc/87/19/93/477871993.db2.gz YBQIYUCGFLYHJS-QGZVFWFLSA-N 1 3 332.879 2.990 20 0 EFADHO C[N@@H+](CCn1cc(Cl)cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000459371030 477872001 /nfs/dbraw/zinc/87/20/01/477872001.db2.gz YBQIYUCGFLYHJS-QGZVFWFLSA-N 1 3 332.879 2.990 20 0 EFADHO C[N@H+](CCn1cc(Cl)cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459371027 477872148 /nfs/dbraw/zinc/87/21/48/477872148.db2.gz YBQIYUCGFLYHJS-KRWDZBQOSA-N 1 3 332.879 2.990 20 0 EFADHO C[N@@H+](CCn1cc(Cl)cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000459371027 477872152 /nfs/dbraw/zinc/87/21/52/477872152.db2.gz YBQIYUCGFLYHJS-KRWDZBQOSA-N 1 3 332.879 2.990 20 0 EFADHO CCCc1nc(C)c(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420984897 477877494 /nfs/dbraw/zinc/87/74/94/477877494.db2.gz VENNHEVNZKVHFX-UHFFFAOYSA-N 1 3 348.535 2.928 20 0 EFADHO CCCc1nc(C)c(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420984897 477877501 /nfs/dbraw/zinc/87/75/01/477877501.db2.gz VENNHEVNZKVHFX-UHFFFAOYSA-N 1 3 348.535 2.928 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000420983816 477878126 /nfs/dbraw/zinc/87/81/26/477878126.db2.gz RRBDLOZQDRMFIE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000420983816 477878136 /nfs/dbraw/zinc/87/81/36/477878136.db2.gz RRBDLOZQDRMFIE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cccc(OC)c3)CC2)CC1 ZINC000420983816 477878146 /nfs/dbraw/zinc/87/81/46/477878146.db2.gz RRBDLOZQDRMFIE-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@@H](O)COc1cccc2[nH]ccc21)C(C)(C)C ZINC000558504068 477881825 /nfs/dbraw/zinc/88/18/25/477881825.db2.gz ZCKNUPFGAYCETQ-BEFAXECRSA-N 1 3 347.503 2.864 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000558640751 477902701 /nfs/dbraw/zinc/90/27/01/477902701.db2.gz GDNCUPYVUHBCLJ-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000558640751 477902706 /nfs/dbraw/zinc/90/27/06/477902706.db2.gz GDNCUPYVUHBCLJ-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CC(CN1CCC[C@@H](CCO)CC1)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025175 477914415 /nfs/dbraw/zinc/91/44/15/477914415.db2.gz YAGIUYITNQJMDQ-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CC(CN1CCC[C@@H](CCO)CC1)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421025175 477914422 /nfs/dbraw/zinc/91/44/22/477914422.db2.gz YAGIUYITNQJMDQ-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000516263503 477917184 /nfs/dbraw/zinc/91/71/84/477917184.db2.gz WDZZXHUHNAJAOQ-IEBWSBKVSA-N 1 3 344.503 2.519 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421031091 477919877 /nfs/dbraw/zinc/91/98/77/477919877.db2.gz ZOFIDDLDBIALAR-IBGZPJMESA-N 1 3 343.515 2.855 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421031099 477920745 /nfs/dbraw/zinc/92/07/45/477920745.db2.gz ZOFIDDLDBIALAR-LJQANCHMSA-N 1 3 343.515 2.855 20 0 EFADHO COCC[C@@H](Cc1ccco1)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459471247 477922286 /nfs/dbraw/zinc/92/22/86/477922286.db2.gz BOOFVMUOANQBGC-KRWDZBQOSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000494148984 477932424 /nfs/dbraw/zinc/93/24/24/477932424.db2.gz UPZMJBCPPZSCOF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000494148984 477932429 /nfs/dbraw/zinc/93/24/29/477932429.db2.gz UPZMJBCPPZSCOF-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494148957 477933368 /nfs/dbraw/zinc/93/33/68/477933368.db2.gz UHMSIRWNVWDCFF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494148957 477933375 /nfs/dbraw/zinc/93/33/75/477933375.db2.gz UHMSIRWNVWDCFF-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149421 477933800 /nfs/dbraw/zinc/93/38/00/477933800.db2.gz ZJYXIAOMMLCVTL-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494149421 477933805 /nfs/dbraw/zinc/93/38/05/477933805.db2.gz ZJYXIAOMMLCVTL-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000439179474 477938470 /nfs/dbraw/zinc/93/84/70/477938470.db2.gz VLKSYXIZQGFARZ-TVFCKZIOSA-N 1 3 336.524 2.518 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000439179474 477938477 /nfs/dbraw/zinc/93/84/77/477938477.db2.gz VLKSYXIZQGFARZ-TVFCKZIOSA-N 1 3 336.524 2.518 20 0 EFADHO Cc1ccc2nc(CN3CCC(C[N@@H+](C)C(C)C)CC3)cc(=O)n2c1 ZINC000532537434 477942666 /nfs/dbraw/zinc/94/26/66/477942666.db2.gz LYMDICLZWJUIBJ-UHFFFAOYSA-N 1 3 342.487 2.555 20 0 EFADHO Cc1ccc2nc(CN3CCC(C[N@H+](C)C(C)C)CC3)cc(=O)n2c1 ZINC000532537434 477942674 /nfs/dbraw/zinc/94/26/74/477942674.db2.gz LYMDICLZWJUIBJ-UHFFFAOYSA-N 1 3 342.487 2.555 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]CC(C)(C)COC)CC1 ZINC000494377730 477973342 /nfs/dbraw/zinc/97/33/42/477973342.db2.gz NSDLIKCCYWHNHW-UHFFFAOYSA-N 1 3 333.520 2.586 20 0 EFADHO CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000465365067 477975495 /nfs/dbraw/zinc/97/54/95/477975495.db2.gz MKVDLJCSUYICSK-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[C@@H]1NC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465365067 477975504 /nfs/dbraw/zinc/97/55/04/477975504.db2.gz MKVDLJCSUYICSK-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494659703 478037895 /nfs/dbraw/zinc/03/78/95/478037895.db2.gz QVLHDZVAPFUHHP-OWCLPIDISA-N 1 3 327.513 3.000 20 0 EFADHO C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421354295 478048834 /nfs/dbraw/zinc/04/88/34/478048834.db2.gz VXLNDDYJHJWHNL-YWTNHNAXSA-N 1 3 335.536 2.911 20 0 EFADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421354292 478049874 /nfs/dbraw/zinc/04/98/74/478049874.db2.gz VXLNDDYJHJWHNL-LSTDLKDCSA-N 1 3 335.536 2.911 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cn(C(C)C)nc3C)CC2)CC1 ZINC000421375965 478061810 /nfs/dbraw/zinc/06/18/10/478061810.db2.gz POYDRHVVCAYRRO-UHFFFAOYSA-N 1 3 347.551 2.764 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cn(C(C)C)nc3C)CC2)CC1 ZINC000421375965 478061824 /nfs/dbraw/zinc/06/18/24/478061824.db2.gz POYDRHVVCAYRRO-UHFFFAOYSA-N 1 3 347.551 2.764 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cn(C(C)C)nc3C)CC2)CC1 ZINC000421375965 478061831 /nfs/dbraw/zinc/06/18/31/478061831.db2.gz POYDRHVVCAYRRO-UHFFFAOYSA-N 1 3 347.551 2.764 20 0 EFADHO CN(CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000440095037 478073635 /nfs/dbraw/zinc/07/36/35/478073635.db2.gz AFBIAPORLLGITC-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CN(CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000440095037 478073641 /nfs/dbraw/zinc/07/36/41/478073641.db2.gz AFBIAPORLLGITC-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N(C)C)cc1 ZINC000440212044 478091195 /nfs/dbraw/zinc/09/11/95/478091195.db2.gz CYUDMZXJIQLHFF-LJQANCHMSA-N 1 3 348.535 2.833 20 0 EFADHO CCC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCC1 ZINC000459791062 478094292 /nfs/dbraw/zinc/09/42/92/478094292.db2.gz HFFUBXAHVQJATB-RBUKOAKNSA-N 1 3 331.504 2.964 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459792566 478094490 /nfs/dbraw/zinc/09/44/90/478094490.db2.gz SLSWHAQWXVMYDJ-KRWDZBQOSA-N 1 3 327.476 2.706 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC[C@@H]1CCC[N@H+](C)C1 ZINC000459792566 478094503 /nfs/dbraw/zinc/09/45/03/478094503.db2.gz SLSWHAQWXVMYDJ-KRWDZBQOSA-N 1 3 327.476 2.706 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000440242262 478095991 /nfs/dbraw/zinc/09/59/91/478095991.db2.gz GUDXALUXUDGPHD-KRWDZBQOSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000440242262 478096000 /nfs/dbraw/zinc/09/60/00/478096000.db2.gz GUDXALUXUDGPHD-KRWDZBQOSA-N 1 3 340.556 2.869 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2N)c(-n2cc(Cl)cn2)n1 ZINC000517553788 478100826 /nfs/dbraw/zinc/10/08/26/478100826.db2.gz WQZYZYDRKOMUER-CVEARBPZSA-N 1 3 333.867 2.979 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000440279428 478102135 /nfs/dbraw/zinc/10/21/35/478102135.db2.gz SMSXUWUIKWOCQQ-LJQANCHMSA-N 1 3 333.520 2.917 20 0 EFADHO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1NC(C)=O ZINC000560527326 478105957 /nfs/dbraw/zinc/10/59/57/478105957.db2.gz FJXIUUORYJUYEO-JZXOWHBKSA-N 1 3 331.460 2.616 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000495066272 478115670 /nfs/dbraw/zinc/11/56/70/478115670.db2.gz KDUVBGDTLCWFMW-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000495066272 478115676 /nfs/dbraw/zinc/11/56/76/478115676.db2.gz KDUVBGDTLCWFMW-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1)C1CC1 ZINC000429388834 478127062 /nfs/dbraw/zinc/12/70/62/478127062.db2.gz TVGKESOQZQUPOG-MRXNPFEDSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429414648 478132395 /nfs/dbraw/zinc/13/23/95/478132395.db2.gz CBURDICQHOTGBP-BHIYHBOVSA-N 1 3 333.545 2.534 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429414648 478132399 /nfs/dbraw/zinc/13/23/99/478132399.db2.gz CBURDICQHOTGBP-BHIYHBOVSA-N 1 3 333.545 2.534 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429414654 478132835 /nfs/dbraw/zinc/13/28/35/478132835.db2.gz CBURDICQHOTGBP-QRQLOZEOSA-N 1 3 333.545 2.534 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000429414654 478132838 /nfs/dbraw/zinc/13/28/38/478132838.db2.gz CBURDICQHOTGBP-QRQLOZEOSA-N 1 3 333.545 2.534 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC(C[NH2+]C)CC2)cc1)C1CC1 ZINC000429443204 478135721 /nfs/dbraw/zinc/13/57/21/478135721.db2.gz AARJDTBETPBOQR-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C1 ZINC000560979423 478143651 /nfs/dbraw/zinc/14/36/51/478143651.db2.gz OVXBBIXCSZUWCB-DLBZAZTESA-N 1 3 346.500 2.857 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H](C)[C@H]3CCCCN3)CC2)oc1C ZINC000518164826 478146543 /nfs/dbraw/zinc/14/65/43/478146543.db2.gz YZBCPSRRCQELSG-MAUKXSAKSA-N 1 3 334.508 2.624 20 0 EFADHO Cc1nc(CN2CCC(CN[C@@H](C)[C@H]3CCCC[NH2+]3)CC2)oc1C ZINC000518164826 478146546 /nfs/dbraw/zinc/14/65/46/478146546.db2.gz YZBCPSRRCQELSG-MAUKXSAKSA-N 1 3 334.508 2.624 20 0 EFADHO CC[N@@H+]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000495266016 478155699 /nfs/dbraw/zinc/15/56/99/478155699.db2.gz QJOFESNGZWWPOT-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@H+]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000495266016 478155703 /nfs/dbraw/zinc/15/57/03/478155703.db2.gz QJOFESNGZWWPOT-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495311069 478168969 /nfs/dbraw/zinc/16/89/69/478168969.db2.gz ASWNUOBYUNQLRX-HUUCEWRRSA-N 1 3 327.513 2.952 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495311069 478168977 /nfs/dbraw/zinc/16/89/77/478168977.db2.gz ASWNUOBYUNQLRX-HUUCEWRRSA-N 1 3 327.513 2.952 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495335201 478175250 /nfs/dbraw/zinc/17/52/50/478175250.db2.gz DTXUPUPGCFNYFC-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(O)c(C)c3)CC2)CC1 ZINC000561301441 478176005 /nfs/dbraw/zinc/17/60/05/478176005.db2.gz LUHOPLJUCSBHAA-UHFFFAOYSA-N 1 3 345.487 2.835 20 0 EFADHO CN1CCC(CC(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC1 ZINC000488856165 478192701 /nfs/dbraw/zinc/19/27/01/478192701.db2.gz OVZGJDSZDVDKEP-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1)CC(C)C ZINC000441187096 478202254 /nfs/dbraw/zinc/20/22/54/478202254.db2.gz FNZALVLTXHWKPL-NUJGCVRESA-N 1 3 338.540 2.667 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519141240 478210902 /nfs/dbraw/zinc/21/09/02/478210902.db2.gz UVGUCEPERZZZQZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519141240 478210906 /nfs/dbraw/zinc/21/09/06/478210906.db2.gz UVGUCEPERZZZQZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000519157872 478212876 /nfs/dbraw/zinc/21/28/76/478212876.db2.gz NDMPZMKDHOZRNY-YJBOKZPZSA-N 1 3 349.906 2.762 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344010 478220928 /nfs/dbraw/zinc/22/09/28/478220928.db2.gz MWVVECSFLXTJFL-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(CC2CCCCC2)CC1 ZINC000519344010 478220932 /nfs/dbraw/zinc/22/09/32/478220932.db2.gz MWVVECSFLXTJFL-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000519591883 478237056 /nfs/dbraw/zinc/23/70/56/478237056.db2.gz GTRGEDBXHVKKSQ-IEBWSBKVSA-N 1 3 346.519 2.584 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000519591884 478237142 /nfs/dbraw/zinc/23/71/42/478237142.db2.gz GTRGEDBXHVKKSQ-MJGOQNOKSA-N 1 3 346.519 2.584 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519596000 478238191 /nfs/dbraw/zinc/23/81/91/478238191.db2.gz IUKCNNMWWKXTJK-WBVHZDCISA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519596000 478238192 /nfs/dbraw/zinc/23/81/92/478238192.db2.gz IUKCNNMWWKXTJK-WBVHZDCISA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519596000 478238195 /nfs/dbraw/zinc/23/81/95/478238195.db2.gz IUKCNNMWWKXTJK-WBVHZDCISA-N 1 3 344.421 2.930 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](CCCN2CCCC2)C1 ZINC000495587598 478238405 /nfs/dbraw/zinc/23/84/05/478238405.db2.gz HZSWHCACOGVWTG-GOSISDBHSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCCN2CCCC2)C1 ZINC000495587598 478238407 /nfs/dbraw/zinc/23/84/07/478238407.db2.gz HZSWHCACOGVWTG-GOSISDBHSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(NCCC[NH+]3CCCCC3)C2)C1 ZINC000495604136 478243059 /nfs/dbraw/zinc/24/30/59/478243059.db2.gz RXIPBCMBXACHCS-UHFFFAOYSA-N 1 3 337.508 2.852 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652987 478257044 /nfs/dbraw/zinc/25/70/44/478257044.db2.gz AKIFKQKBLCMRCG-QAPCUYQASA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652987 478257048 /nfs/dbraw/zinc/25/70/48/478257048.db2.gz AKIFKQKBLCMRCG-QAPCUYQASA-N 1 3 325.497 2.707 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000489786632 478270678 /nfs/dbraw/zinc/27/06/78/478270678.db2.gz NRSYTBFQGLSXOE-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CSCC1CCC([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000590645243 478273255 /nfs/dbraw/zinc/27/32/55/478273255.db2.gz HHMNYYNDVZXSAK-OFLPRAFFSA-N 1 3 325.566 2.666 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000570062130 478275950 /nfs/dbraw/zinc/27/59/50/478275950.db2.gz UCAPQEGOHWVLEJ-PMACEKPBSA-N 1 3 340.471 2.591 20 0 EFADHO CC(C)(CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000570086701 478281259 /nfs/dbraw/zinc/28/12/59/478281259.db2.gz FAYLANPXAALDTL-PKOBYXMFSA-N 1 3 343.515 2.847 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(CC)CC ZINC000537295755 478295016 /nfs/dbraw/zinc/29/50/16/478295016.db2.gz MYGJEPXYFBBUFS-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495745232 478296881 /nfs/dbraw/zinc/29/68/81/478296881.db2.gz JSYLSRXQTBKEGE-LSDHHAIUSA-N 1 3 325.497 2.563 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000520331664 478297681 /nfs/dbraw/zinc/29/76/81/478297681.db2.gz VCZLPRPNLBSVAF-AWEZNQCLSA-N 1 3 344.421 2.719 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495745230 478297781 /nfs/dbraw/zinc/29/77/81/478297781.db2.gz JSYLSRXQTBKEGE-GJZGRUSLSA-N 1 3 325.497 2.563 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495751445 478302094 /nfs/dbraw/zinc/30/20/94/478302094.db2.gz ZGKMYCFORVLYAJ-LSDHHAIUSA-N 1 3 325.497 2.562 20 0 EFADHO CN1CC[NH+](CCCCN[C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000537606659 478318061 /nfs/dbraw/zinc/31/80/61/478318061.db2.gz LHWJEOVARQELMY-NRFANRHFSA-N 1 3 338.499 2.788 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3CCN(C)CC3)C2)s1 ZINC000570285970 478327384 /nfs/dbraw/zinc/32/73/84/478327384.db2.gz KCJCBPFOSFKYTP-MRXNPFEDSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C3CCN(C)CC3)C2)s1 ZINC000570285970 478327390 /nfs/dbraw/zinc/32/73/90/478327390.db2.gz KCJCBPFOSFKYTP-MRXNPFEDSA-N 1 3 349.544 2.679 20 0 EFADHO CN(C)C[C@H](CNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000520593530 478329740 /nfs/dbraw/zinc/32/97/40/478329740.db2.gz YYEJHIAQKQJIKO-INIZCTEOSA-N 1 3 339.911 2.833 20 0 EFADHO CN(C)C[C@@H](CNC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000520593531 478329848 /nfs/dbraw/zinc/32/98/48/478329848.db2.gz YYEJHIAQKQJIKO-MRXNPFEDSA-N 1 3 339.911 2.833 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000579586621 478333483 /nfs/dbraw/zinc/33/34/83/478333483.db2.gz BLGFRBMKIXNNFT-MAUKXSAKSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000579586621 478333488 /nfs/dbraw/zinc/33/34/88/478333488.db2.gz BLGFRBMKIXNNFT-MAUKXSAKSA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000490499078 478345528 /nfs/dbraw/zinc/34/55/28/478345528.db2.gz MXAXFWPMGPKHDT-AHRSYUTCSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000490499078 478345530 /nfs/dbraw/zinc/34/55/30/478345530.db2.gz MXAXFWPMGPKHDT-AHRSYUTCSA-N 1 3 345.531 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000562769725 478346248 /nfs/dbraw/zinc/34/62/48/478346248.db2.gz VHJVROZVFCLBBW-LLVKDONJSA-N 1 3 344.381 2.627 20 0 EFADHO C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000562769725 478346257 /nfs/dbraw/zinc/34/62/57/478346257.db2.gz VHJVROZVFCLBBW-LLVKDONJSA-N 1 3 344.381 2.627 20 0 EFADHO [NH3+]CCC1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000570402644 478352886 /nfs/dbraw/zinc/35/28/86/478352886.db2.gz COWGOXOAYGNQDI-LJQANCHMSA-N 1 3 344.503 2.594 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000562809642 478357483 /nfs/dbraw/zinc/35/74/83/478357483.db2.gz OWBKMSJQNKUPBM-QXAKKESOSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000562809649 478358302 /nfs/dbraw/zinc/35/83/02/478358302.db2.gz OWBKMSJQNKUPBM-WDSOQIARSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000521001277 478360582 /nfs/dbraw/zinc/36/05/82/478360582.db2.gz JVFBZNBIKWBMCN-MRXNPFEDSA-N 1 3 344.503 2.822 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000521001277 478360587 /nfs/dbraw/zinc/36/05/87/478360587.db2.gz JVFBZNBIKWBMCN-MRXNPFEDSA-N 1 3 344.503 2.822 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000562878770 478372578 /nfs/dbraw/zinc/37/25/78/478372578.db2.gz ZWOBZUMWOPAXRI-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000562878770 478372579 /nfs/dbraw/zinc/37/25/79/478372579.db2.gz ZWOBZUMWOPAXRI-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000581586902 478391680 /nfs/dbraw/zinc/39/16/80/478391680.db2.gz KYJNFQLXHVZXOA-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc3c(c2)CCCC3)CC1 ZINC000490890677 478400200 /nfs/dbraw/zinc/40/02/00/478400200.db2.gz ZQZJBJLNEWLVBV-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000562987485 478403601 /nfs/dbraw/zinc/40/36/01/478403601.db2.gz RQCGICPGLSGTJQ-MRXNPFEDSA-N 1 3 340.895 2.790 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2Cl)CC1)C1CC1 ZINC000562992295 478406325 /nfs/dbraw/zinc/40/63/25/478406325.db2.gz OFZUDPSANSMXRW-AWEZNQCLSA-N 1 3 326.843 2.555 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2ccc(F)cc2Cl)CC1)C1CC1 ZINC000562992295 478406330 /nfs/dbraw/zinc/40/63/30/478406330.db2.gz OFZUDPSANSMXRW-AWEZNQCLSA-N 1 3 326.843 2.555 20 0 EFADHO C/C=C\c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000562994772 478407802 /nfs/dbraw/zinc/40/78/02/478407802.db2.gz DOHXSAFGSAMPFH-LKDNYYOESA-N 1 3 348.487 2.540 20 0 EFADHO C/C=C\c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000562994772 478407807 /nfs/dbraw/zinc/40/78/07/478407807.db2.gz DOHXSAFGSAMPFH-LKDNYYOESA-N 1 3 348.487 2.540 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000581668217 478416364 /nfs/dbraw/zinc/41/63/64/478416364.db2.gz CQRUOTCNXKXMGJ-YZGWKJHDSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000581668217 478416374 /nfs/dbraw/zinc/41/63/74/478416374.db2.gz CQRUOTCNXKXMGJ-YZGWKJHDSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581683779 478419917 /nfs/dbraw/zinc/41/99/17/478419917.db2.gz GHWGUDGJSIHFJM-LJQANCHMSA-N 1 3 331.504 2.785 20 0 EFADHO C[S@@](=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000590966741 478422112 /nfs/dbraw/zinc/42/21/12/478422112.db2.gz XKQMVFVHFWVCRP-HSZRJFAPSA-N 1 3 329.469 2.578 20 0 EFADHO CC(C)C[C@@H](CNC[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953457 478435271 /nfs/dbraw/zinc/43/52/71/478435271.db2.gz XBWDCUDNABMDKG-HOTGVXAUSA-N 1 3 327.513 2.857 20 0 EFADHO CC(C)C[C@@H](CNC[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000495953457 478435277 /nfs/dbraw/zinc/43/52/77/478435277.db2.gz XBWDCUDNABMDKG-HOTGVXAUSA-N 1 3 327.513 2.857 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000563061035 478436247 /nfs/dbraw/zinc/43/62/47/478436247.db2.gz VHGZIRAMQHIBIE-WSTZPKSXSA-N 1 3 345.531 2.821 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000563061035 478436252 /nfs/dbraw/zinc/43/62/52/478436252.db2.gz VHGZIRAMQHIBIE-WSTZPKSXSA-N 1 3 345.531 2.821 20 0 EFADHO Clc1ccc(CN(CCN2CC[NH2+]CC2)C2CC2)cc1Cl ZINC000563155275 478465031 /nfs/dbraw/zinc/46/50/31/478465031.db2.gz HBBXTZYHKRCZPT-UHFFFAOYSA-N 1 3 328.287 2.863 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000527669580 478469650 /nfs/dbraw/zinc/46/96/50/478469650.db2.gz IVZOSLSTHJYROV-IBGZPJMESA-N 1 3 348.535 2.567 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1 ZINC000594646474 478478205 /nfs/dbraw/zinc/47/82/05/478478205.db2.gz OSJFYLAGPXIJIR-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1)C1CC1 ZINC000563207004 478482672 /nfs/dbraw/zinc/48/26/72/478482672.db2.gz RTPUZEPDYBSULA-OAQYLSRUSA-N 1 3 341.499 2.887 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000570959984 478491098 /nfs/dbraw/zinc/49/10/98/478491098.db2.gz JSPBKFBVWOPRFD-WMLDXEAASA-N 1 3 344.459 2.667 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496037468 478495675 /nfs/dbraw/zinc/49/56/75/478495675.db2.gz XCALWFIRLLPDIU-CVEARBPZSA-N 1 3 325.497 2.517 20 0 EFADHO C[NH+](C)CCCCC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000582053662 478500087 /nfs/dbraw/zinc/50/00/87/478500087.db2.gz BLDDDDDNRPATPG-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907738 478507182 /nfs/dbraw/zinc/50/71/82/478507182.db2.gz NZFOFNQESXPIQO-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907738 478507185 /nfs/dbraw/zinc/50/71/85/478507185.db2.gz NZFOFNQESXPIQO-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO Cn1cncc1CCC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000563354683 478526688 /nfs/dbraw/zinc/52/66/88/478526688.db2.gz NZWHTXZEVUCYBW-UHFFFAOYSA-N 1 3 341.503 2.986 20 0 EFADHO Cn1cncc1CCC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000563354683 478526697 /nfs/dbraw/zinc/52/66/97/478526697.db2.gz NZWHTXZEVUCYBW-UHFFFAOYSA-N 1 3 341.503 2.986 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527825738 478537298 /nfs/dbraw/zinc/53/72/98/478537298.db2.gz TZXWNJHRJCGMLY-NXHRZFHOSA-N 1 3 336.524 2.565 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000527825735 478537826 /nfs/dbraw/zinc/53/78/26/478537826.db2.gz TZXWNJHRJCGMLY-CGTJXYLNSA-N 1 3 336.524 2.565 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496128324 478555988 /nfs/dbraw/zinc/55/59/88/478555988.db2.gz ZVCNPBNAQDTILR-KKXDTOCCSA-N 1 3 331.460 2.978 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000563423778 478556935 /nfs/dbraw/zinc/55/69/35/478556935.db2.gz JBIBJTJHHUJULP-RVKKMQEKSA-N 1 3 337.895 2.573 20 0 EFADHO C[C@@H]1CC[N@H+](CCCN2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496149430 478570248 /nfs/dbraw/zinc/57/02/48/478570248.db2.gz WFNIOZUXMRGPST-IAGOWNOFSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCN2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496149430 478570251 /nfs/dbraw/zinc/57/02/51/478570251.db2.gz WFNIOZUXMRGPST-IAGOWNOFSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000563506128 478572063 /nfs/dbraw/zinc/57/20/63/478572063.db2.gz OPBNWRSUZSKXPU-UHFFFAOYSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCCNC1 ZINC000496159909 478578277 /nfs/dbraw/zinc/57/82/77/478578277.db2.gz KDGMHMANOOUDPC-AEFFLSMTSA-N 1 3 345.487 2.765 20 0 EFADHO CN(C)Cc1ccc(-c2noc(C[C@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000582359382 478578887 /nfs/dbraw/zinc/57/88/87/478578887.db2.gz JLZRHLJDRJRCQW-GOSISDBHSA-N 1 3 336.439 2.911 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000571394885 478586028 /nfs/dbraw/zinc/58/60/28/478586028.db2.gz UHMSFHMOYBCUEA-CWLKWCNXSA-N 1 3 332.467 2.700 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563562375 478588443 /nfs/dbraw/zinc/58/84/43/478588443.db2.gz WZFOMROQZAMBPT-MJGOQNOKSA-N 1 3 344.503 2.512 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563561387 478588911 /nfs/dbraw/zinc/58/89/11/478588911.db2.gz HTCKEKBHZRHNCE-WDSOQIARSA-N 1 3 344.503 2.559 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000563625898 478605886 /nfs/dbraw/zinc/60/58/86/478605886.db2.gz ZQMVYCCSHGLFCJ-WOJBJXKFSA-N 1 3 341.499 2.744 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727443 478613566 /nfs/dbraw/zinc/61/35/66/478613566.db2.gz VQLNFABIEJPIKD-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727443 478613574 /nfs/dbraw/zinc/61/35/74/478613574.db2.gz VQLNFABIEJPIKD-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO CCN(C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000571535314 478620571 /nfs/dbraw/zinc/62/05/71/478620571.db2.gz MGYHJYDEBLJQDY-RBUKOAKNSA-N 1 3 334.504 2.573 20 0 EFADHO O=C(Oc1ccccc1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000496224971 478622457 /nfs/dbraw/zinc/62/24/57/478622457.db2.gz HISLGTWKJHJDDC-UHFFFAOYSA-N 1 3 331.460 2.583 20 0 EFADHO CNC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000563722748 478623969 /nfs/dbraw/zinc/62/39/69/478623969.db2.gz ISCCVRCNIHTNAS-KBMXLJTQSA-N 1 3 330.394 2.902 20 0 EFADHO C[NH2+]C[C@](C)(O)CN[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000563722748 478623977 /nfs/dbraw/zinc/62/39/77/478623977.db2.gz ISCCVRCNIHTNAS-KBMXLJTQSA-N 1 3 330.394 2.902 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571556019 478624466 /nfs/dbraw/zinc/62/44/66/478624466.db2.gz HXCDGQLPBWAQRW-FCEWJHQRSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000571556019 478624473 /nfs/dbraw/zinc/62/44/73/478624473.db2.gz HXCDGQLPBWAQRW-FCEWJHQRSA-N 1 3 343.515 2.746 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491687329 478632922 /nfs/dbraw/zinc/63/29/22/478632922.db2.gz VQSXUZOXNPVSFC-OSFIAYCASA-N 1 3 343.515 2.899 20 0 EFADHO C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000571632402 478639102 /nfs/dbraw/zinc/63/91/02/478639102.db2.gz BSZAGLDWKWXBOH-XAJHFOFHSA-N 1 3 346.475 2.677 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000582603703 478640029 /nfs/dbraw/zinc/64/00/29/478640029.db2.gz NXDFJNIPHDYOJR-XLIONFOSSA-N 1 3 343.515 2.983 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000582646431 478648496 /nfs/dbraw/zinc/64/84/96/478648496.db2.gz CNUZOYXWVFOSGP-WGMWDUQUSA-N 1 3 345.531 2.870 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000582660181 478653749 /nfs/dbraw/zinc/65/37/49/478653749.db2.gz NULPQCZBBFYLNU-HZZCBIDNSA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000582660181 478653756 /nfs/dbraw/zinc/65/37/56/478653756.db2.gz NULPQCZBBFYLNU-HZZCBIDNSA-N 1 3 332.488 2.712 20 0 EFADHO O=C1CC[C@@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc2N1 ZINC000542470923 478654191 /nfs/dbraw/zinc/65/41/91/478654191.db2.gz LIHGJDOUDMUILG-DNVCBOLYSA-N 1 3 343.471 2.551 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@]3(C)C(C)C)CC2)CC1 ZINC000563897697 478658811 /nfs/dbraw/zinc/65/88/11/478658811.db2.gz UAPJOYWLQBOMMY-AZUAARDMSA-N 1 3 335.536 2.734 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@@]3(C)C(C)C)CC2)CC1 ZINC000563897699 478659613 /nfs/dbraw/zinc/65/96/13/478659613.db2.gz UAPJOYWLQBOMMY-QUCCMNQESA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000582737666 478672681 /nfs/dbraw/zinc/67/26/81/478672681.db2.gz UBJLXHAVQHYFRG-SFHVURJKSA-N 1 3 346.519 2.667 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780058 478681786 /nfs/dbraw/zinc/68/17/86/478681786.db2.gz DXPOQNRYNXXIPK-UZLBHIALSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780058 478681795 /nfs/dbraw/zinc/68/17/95/478681795.db2.gz DXPOQNRYNXXIPK-UZLBHIALSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780058 478681804 /nfs/dbraw/zinc/68/18/04/478681804.db2.gz DXPOQNRYNXXIPK-UZLBHIALSA-N 1 3 340.467 2.653 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCCC1 ZINC000582834189 478697168 /nfs/dbraw/zinc/69/71/68/478697168.db2.gz STOIUOQWSBEPLW-OAHLLOKOSA-N 1 3 330.476 2.576 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000582899754 478715493 /nfs/dbraw/zinc/71/54/93/478715493.db2.gz FQFYPTIDXAMYQA-YLJYHZDGSA-N 1 3 334.504 2.938 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000582899754 478715498 /nfs/dbraw/zinc/71/54/98/478715498.db2.gz FQFYPTIDXAMYQA-YLJYHZDGSA-N 1 3 334.504 2.938 20 0 EFADHO O[C@@H](CCc1ccccc1)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000571993987 478723675 /nfs/dbraw/zinc/72/36/75/478723675.db2.gz IRXVUHSIIPLZSV-NRFANRHFSA-N 1 3 339.483 2.881 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000582958640 478726995 /nfs/dbraw/zinc/72/69/95/478726995.db2.gz KLFKEMWKEUCUME-VAMGGRTRSA-N 1 3 331.504 2.527 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@H](C)[C@@H](C)[C@H]3C)CC2)CC1 ZINC000564352459 478730652 /nfs/dbraw/zinc/73/06/52/478730652.db2.gz SHIDBTSFQGSBHM-GVDBMIGSSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000564445006 478743713 /nfs/dbraw/zinc/74/37/13/478743713.db2.gz WQDJKNXOIHYOTD-TZIWHRDSSA-N 1 3 346.515 2.904 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000572226146 478780624 /nfs/dbraw/zinc/78/06/24/478780624.db2.gz GIRGAHCCDXTCPJ-WDSOQIARSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749159 478780996 /nfs/dbraw/zinc/78/09/96/478780996.db2.gz YBBPGMNVZVYCNN-QZTJIDSGSA-N 1 3 345.531 2.810 20 0 EFADHO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749159 478781001 /nfs/dbraw/zinc/78/10/01/478781001.db2.gz YBBPGMNVZVYCNN-QZTJIDSGSA-N 1 3 345.531 2.810 20 0 EFADHO FC(F)(F)c1ccccc1CN(CCN1CC[NH2+]CC1)C1CC1 ZINC000583264103 478806518 /nfs/dbraw/zinc/80/65/18/478806518.db2.gz KISAJMHXCFCOGS-UHFFFAOYSA-N 1 3 327.394 2.575 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C)CN1CCCCC1 ZINC000501801513 478812151 /nfs/dbraw/zinc/81/21/51/478812151.db2.gz LRUFPJZSGPDGCW-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000572363875 478818563 /nfs/dbraw/zinc/81/85/63/478818563.db2.gz JUBHVDUZGWSARH-AWEZNQCLSA-N 1 3 327.428 2.661 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000583317235 478821414 /nfs/dbraw/zinc/82/14/14/478821414.db2.gz AJUSCYOUBLUSSF-OAGGEKHMSA-N 1 3 326.868 2.542 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000583317616 478821976 /nfs/dbraw/zinc/82/19/76/478821976.db2.gz QOPATPSSJLNGPL-RTBURBONSA-N 1 3 334.504 2.753 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c(C)c1 ZINC000583317614 478822280 /nfs/dbraw/zinc/82/22/80/478822280.db2.gz QOPATPSSJLNGPL-OALUTQOASA-N 1 3 334.504 2.753 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845778 478828680 /nfs/dbraw/zinc/82/86/80/478828680.db2.gz XUYHGILKABRJCE-LDQXTDLNSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845778 478828693 /nfs/dbraw/zinc/82/86/93/478828693.db2.gz XUYHGILKABRJCE-LDQXTDLNSA-N 1 3 344.499 2.515 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000564845778 478828701 /nfs/dbraw/zinc/82/87/01/478828701.db2.gz XUYHGILKABRJCE-LDQXTDLNSA-N 1 3 344.499 2.515 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c1 ZINC000564846933 478829063 /nfs/dbraw/zinc/82/90/63/478829063.db2.gz WCDDKXPRJQTTEW-LJQANCHMSA-N 1 3 334.504 2.753 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000564847993 478831306 /nfs/dbraw/zinc/83/13/06/478831306.db2.gz SEEQQYYUXJKFFO-PXNSSMCTSA-N 1 3 342.483 2.901 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000503007100 478834016 /nfs/dbraw/zinc/83/40/16/478834016.db2.gz ZDNJYBAKPABHOP-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000503007100 478834022 /nfs/dbraw/zinc/83/40/22/478834022.db2.gz ZDNJYBAKPABHOP-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1C[C@H](C)[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268906 478838775 /nfs/dbraw/zinc/83/87/75/478838775.db2.gz YUCFZDNHBJDJEF-FXAWDEMLSA-N 1 3 330.520 2.969 20 0 EFADHO CC[N@H+]1C[C@H](C)[C@H](Nc2cccc(N3CCN(C(C)C)CC3)c2)C1 ZINC000503268906 478838778 /nfs/dbraw/zinc/83/87/78/478838778.db2.gz YUCFZDNHBJDJEF-FXAWDEMLSA-N 1 3 330.520 2.969 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494741 478851772 /nfs/dbraw/zinc/85/17/72/478851772.db2.gz LNYBVWBQXWWIJS-OWCLPIDISA-N 1 3 344.503 2.820 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494741 478851779 /nfs/dbraw/zinc/85/17/79/478851779.db2.gz LNYBVWBQXWWIJS-OWCLPIDISA-N 1 3 344.503 2.820 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000572495945 478852966 /nfs/dbraw/zinc/85/29/66/478852966.db2.gz SMDQGPYLQDIPKS-LJQANCHMSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000564910000 478856547 /nfs/dbraw/zinc/85/65/47/478856547.db2.gz RUQIQUXEAQIQKX-VQIMIIECSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000564910000 478856551 /nfs/dbraw/zinc/85/65/51/478856551.db2.gz RUQIQUXEAQIQKX-VQIMIIECSA-N 1 3 329.488 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494835 478864409 /nfs/dbraw/zinc/86/44/09/478864409.db2.gz HFJGYJCSQCPRLN-HOCLYGCPSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494835 478864421 /nfs/dbraw/zinc/86/44/21/478864421.db2.gz HFJGYJCSQCPRLN-HOCLYGCPSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000583494835 478864428 /nfs/dbraw/zinc/86/44/28/478864428.db2.gz HFJGYJCSQCPRLN-HOCLYGCPSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583498493 478867006 /nfs/dbraw/zinc/86/70/06/478867006.db2.gz XJNAMZDBLLHDEL-HNAYVOBHSA-N 1 3 343.515 2.716 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]1C ZINC000492189991 478869104 /nfs/dbraw/zinc/86/91/04/478869104.db2.gz SQKQDXFMTNMFEW-SZMVWBNQSA-N 1 3 331.460 2.816 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]1C ZINC000492189991 478869107 /nfs/dbraw/zinc/86/91/07/478869107.db2.gz SQKQDXFMTNMFEW-SZMVWBNQSA-N 1 3 331.460 2.816 20 0 EFADHO O=C(C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC000564973371 478872625 /nfs/dbraw/zinc/87/26/25/478872625.db2.gz CFQPKMMZMNGPAM-MSOLQXFVSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@H]1CCC[N@H+](C[C@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973371 478872637 /nfs/dbraw/zinc/87/26/37/478872637.db2.gz CFQPKMMZMNGPAM-MSOLQXFVSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@H]1CCC[N@@H+](C[C@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973371 478872645 /nfs/dbraw/zinc/87/26/45/478872645.db2.gz CFQPKMMZMNGPAM-MSOLQXFVSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1C ZINC000572632039 478884563 /nfs/dbraw/zinc/88/45/63/478884563.db2.gz QHHVIXWTUUDUDO-LJQANCHMSA-N 1 3 332.488 2.568 20 0 EFADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@H](N)C2)CCOCC1 ZINC000572662736 478891171 /nfs/dbraw/zinc/89/11/71/478891171.db2.gz SCRQRGDUTINUHJ-DLBZAZTESA-N 1 3 332.488 2.911 20 0 EFADHO COc1ccc(C)cc1C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000572662736 478891178 /nfs/dbraw/zinc/89/11/78/478891178.db2.gz SCRQRGDUTINUHJ-DLBZAZTESA-N 1 3 332.488 2.911 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@@H+]1CCCC[C@H]1C ZINC000528713106 478892058 /nfs/dbraw/zinc/89/20/58/478892058.db2.gz IQHZZTOOKKJTLR-CABCVRRESA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@H+]1CCCC[C@H]1C ZINC000528713106 478892063 /nfs/dbraw/zinc/89/20/63/478892063.db2.gz IQHZZTOOKKJTLR-CABCVRRESA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCCCN3)cc2)C1 ZINC000565040014 478894797 /nfs/dbraw/zinc/89/47/97/478894797.db2.gz HXKWZYCWRJKXKA-LPHOPBHVSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCCCN3)cc2)C1 ZINC000565040014 478894804 /nfs/dbraw/zinc/89/48/04/478894804.db2.gz HXKWZYCWRJKXKA-LPHOPBHVSA-N 1 3 345.487 2.878 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@H]1C ZINC000528717302 478895814 /nfs/dbraw/zinc/89/58/14/478895814.db2.gz ZHBFQEIOXMHUEO-PBHICJAKSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@H]1C ZINC000528717302 478895819 /nfs/dbraw/zinc/89/58/19/478895819.db2.gz ZHBFQEIOXMHUEO-PBHICJAKSA-N 1 3 346.475 2.505 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000565099844 478912131 /nfs/dbraw/zinc/91/21/31/478912131.db2.gz OWRKBSKIIRLKNP-INIZCTEOSA-N 1 3 346.519 2.886 20 0 EFADHO CC[NH+]1CCC(CCNCc2cc(C(=O)OC)c3n2CCCC3)CC1 ZINC000598633647 478936289 /nfs/dbraw/zinc/93/62/89/478936289.db2.gz KBEBXMGJQRPXCX-UHFFFAOYSA-N 1 3 347.503 2.823 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3CC(C)(C)C3)CC2)CC1 ZINC000565192395 478943861 /nfs/dbraw/zinc/94/38/61/478943861.db2.gz OPXLEACJMKJZDX-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ncncc1[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000565217726 478953717 /nfs/dbraw/zinc/95/37/17/478953717.db2.gz MWISDIMDLSTQHQ-HNNXBMFYSA-N 1 3 328.460 2.619 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC[C@@H](O)CN(C)C3CC3)c2)CC1 ZINC000572954147 478958186 /nfs/dbraw/zinc/95/81/86/478958186.db2.gz FVVDQGJYNFLZJN-OAQYLSRUSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000510240027 478963261 /nfs/dbraw/zinc/96/32/61/478963261.db2.gz UQTHVECDVFPEDF-MISYRCLQSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000510240027 478963269 /nfs/dbraw/zinc/96/32/69/478963269.db2.gz UQTHVECDVFPEDF-MISYRCLQSA-N 1 3 345.531 2.990 20 0 EFADHO c1sc(-c2ccc3c(c2)OCO3)nc1CNCC[C@@H]1CC[NH2+]C1 ZINC000572969932 478963944 /nfs/dbraw/zinc/96/39/44/478963944.db2.gz QVCHBGXJFOOSIF-LBPRGKRZSA-N 1 3 331.441 2.628 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000510946760 478973515 /nfs/dbraw/zinc/97/35/15/478973515.db2.gz GFVRSWITMMBZSZ-OAHLLOKOSA-N 1 3 339.474 2.902 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000583989706 478987910 /nfs/dbraw/zinc/98/79/10/478987910.db2.gz NPSLPXRGPVEUJR-BPLDGKMQSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000583989706 478987916 /nfs/dbraw/zinc/98/79/16/478987916.db2.gz NPSLPXRGPVEUJR-BPLDGKMQSA-N 1 3 330.394 2.681 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512561324 478999517 /nfs/dbraw/zinc/99/95/17/478999517.db2.gz XNWPOVPLYJORJU-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512561324 478999521 /nfs/dbraw/zinc/99/95/21/478999521.db2.gz XNWPOVPLYJORJU-MJGOQNOKSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512551479 478999597 /nfs/dbraw/zinc/99/95/97/478999597.db2.gz UQTHVECDVFPEDF-RLLQIKCJSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512551479 478999602 /nfs/dbraw/zinc/99/96/02/478999602.db2.gz UQTHVECDVFPEDF-RLLQIKCJSA-N 1 3 345.531 2.990 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COCc2ccccc2Cl)C1 ZINC000565416912 479003556 /nfs/dbraw/zinc/00/35/56/479003556.db2.gz KENCLXRZMAHWRD-BBWFWOEESA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000565416912 479003563 /nfs/dbraw/zinc/00/35/63/479003563.db2.gz KENCLXRZMAHWRD-BBWFWOEESA-N 1 3 340.895 2.680 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc2ccccc21)CN1CCCC1 ZINC000565535739 479029010 /nfs/dbraw/zinc/02/90/10/479029010.db2.gz YXGWCQREMPSTLF-PKOBYXMFSA-N 1 3 342.483 2.901 20 0 EFADHO c1c(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccn12 ZINC000584166896 479036826 /nfs/dbraw/zinc/03/68/26/479036826.db2.gz NJUDNNGNPBCYBK-NQIIRXRSSA-N 1 3 348.450 2.722 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000584171873 479040157 /nfs/dbraw/zinc/04/01/57/479040157.db2.gz JTUMEAOYAOSKAQ-IBGZPJMESA-N 1 3 325.456 2.958 20 0 EFADHO C[C@@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000565651687 479054700 /nfs/dbraw/zinc/05/47/00/479054700.db2.gz PTXCGLZYSUWCGO-CRAIPNDOSA-N 1 3 336.524 2.613 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789100 479065739 /nfs/dbraw/zinc/06/57/39/479065739.db2.gz WHYBCKHPYUBPLG-NVXWUHKLSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789100 479065747 /nfs/dbraw/zinc/06/57/47/479065747.db2.gz WHYBCKHPYUBPLG-NVXWUHKLSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789100 479065755 /nfs/dbraw/zinc/06/57/55/479065755.db2.gz WHYBCKHPYUBPLG-NVXWUHKLSA-N 1 3 340.895 2.539 20 0 EFADHO O[C@H](C[NH2+]C1CCN(C2CCCC2)CC1)COc1ccccc1F ZINC000514932767 479093213 /nfs/dbraw/zinc/09/32/13/479093213.db2.gz MWKYSLLCSKAVMP-QGZVFWFLSA-N 1 3 336.451 2.562 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573578580 479097959 /nfs/dbraw/zinc/09/79/59/479097959.db2.gz RLKWNQKECVISLI-CHWSQXEVSA-N 1 3 325.840 2.537 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000573578580 479097964 /nfs/dbraw/zinc/09/79/64/479097964.db2.gz RLKWNQKECVISLI-CHWSQXEVSA-N 1 3 325.840 2.537 20 0 EFADHO CSC[C@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000584346668 479103357 /nfs/dbraw/zinc/10/33/57/479103357.db2.gz VTUQIYFIHOTUIN-MRXNPFEDSA-N 1 3 342.936 2.866 20 0 EFADHO COC(=O)c1ccc(CNCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1C ZINC000602004058 479130488 /nfs/dbraw/zinc/13/04/88/479130488.db2.gz JYWQQRKMQXVFCM-HZPDHXFCSA-N 1 3 335.492 2.659 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c(C)c1 ZINC000573835333 479155158 /nfs/dbraw/zinc/15/51/58/479155158.db2.gz XDXOVEWABTUZGK-RBUKOAKNSA-N 1 3 334.504 2.897 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c(C)c1 ZINC000573835332 479155450 /nfs/dbraw/zinc/15/54/50/479155450.db2.gz XDXOVEWABTUZGK-OALUTQOASA-N 1 3 334.504 2.897 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@@H](O)COC(C)C)C2)s1 ZINC000573843189 479157711 /nfs/dbraw/zinc/15/77/11/479157711.db2.gz MEDPTOGGWFPNCL-IAGOWNOFSA-N 1 3 340.533 2.596 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H](O)COC(C)C)C2)s1 ZINC000573843189 479157720 /nfs/dbraw/zinc/15/77/20/479157720.db2.gz MEDPTOGGWFPNCL-IAGOWNOFSA-N 1 3 340.533 2.596 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000573933590 479179335 /nfs/dbraw/zinc/17/93/35/479179335.db2.gz IHYGZOOPBRYXGE-ZWOKBUDYSA-N 1 3 343.515 2.593 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000574022065 479196009 /nfs/dbraw/zinc/19/60/09/479196009.db2.gz FNCPNFXDYVFQMT-HNNXBMFYSA-N 1 3 344.503 2.964 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000574022065 479196019 /nfs/dbraw/zinc/19/60/19/479196019.db2.gz FNCPNFXDYVFQMT-HNNXBMFYSA-N 1 3 344.503 2.964 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000574071611 479209578 /nfs/dbraw/zinc/20/95/78/479209578.db2.gz HIQHRQMLNMCXQY-RBUKOAKNSA-N 1 3 334.504 2.673 20 0 EFADHO CCN(CC)CC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000556827802 479218123 /nfs/dbraw/zinc/21/81/23/479218123.db2.gz GHZODMDWPLLSTH-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CCN(CC)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000556827802 479218128 /nfs/dbraw/zinc/21/81/28/479218128.db2.gz GHZODMDWPLLSTH-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000574170092 479234967 /nfs/dbraw/zinc/23/49/67/479234967.db2.gz KGUYJLPIMRQNAQ-KFWWJZLASA-N 1 3 338.293 2.887 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000557164849 479260818 /nfs/dbraw/zinc/26/08/18/479260818.db2.gz YYLZYNMPKLMNSK-FUHWJXTLSA-N 1 3 344.503 2.511 20 0 EFADHO c1nc2ccccc2n1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000574307928 479263988 /nfs/dbraw/zinc/26/39/88/479263988.db2.gz JCTIHSUNFXTNMM-NQIIRXRSSA-N 1 3 348.450 2.882 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1c(F)cccc1Cl)C1CC1 ZINC000574444985 479287246 /nfs/dbraw/zinc/28/72/46/479287246.db2.gz KTSDRXATAZXVAS-ZDUSSCGKSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1c(F)cccc1Cl)C1CC1 ZINC000574444985 479287254 /nfs/dbraw/zinc/28/72/54/479287254.db2.gz KTSDRXATAZXVAS-ZDUSSCGKSA-N 1 3 328.859 2.801 20 0 EFADHO CN1CC[C@H](N2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000585116057 479290798 /nfs/dbraw/zinc/29/07/98/479290798.db2.gz FYLGJGMFSLCVQL-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000593317670 479291177 /nfs/dbraw/zinc/29/11/77/479291177.db2.gz UUDNZHCBHNRCTD-MPGHIAIKSA-N 1 3 334.460 2.576 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000574750019 479342139 /nfs/dbraw/zinc/34/21/39/479342139.db2.gz HEGHLDPLBYIYIF-HNNXBMFYSA-N 1 3 338.442 2.821 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC1(c2c(F)cccc2F)CCCC1)C1CC1 ZINC000574750019 479342140 /nfs/dbraw/zinc/34/21/40/479342140.db2.gz HEGHLDPLBYIYIF-HNNXBMFYSA-N 1 3 338.442 2.821 20 0 EFADHO CC(C)(C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@H](N)c1ccccc1 ZINC000574862027 479360509 /nfs/dbraw/zinc/36/05/09/479360509.db2.gz UVIXCBGSFBGZBZ-MAUKXSAKSA-N 1 3 338.455 2.562 20 0 EFADHO CC(C)(C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[C@@H](N)c1ccccc1 ZINC000574862028 479360789 /nfs/dbraw/zinc/36/07/89/479360789.db2.gz UVIXCBGSFBGZBZ-QAPCUYQASA-N 1 3 338.455 2.562 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602530444 479384118 /nfs/dbraw/zinc/38/41/18/479384118.db2.gz KGLLUPDWBQEFOS-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602530444 479384125 /nfs/dbraw/zinc/38/41/25/479384125.db2.gz KGLLUPDWBQEFOS-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000602540910 479388398 /nfs/dbraw/zinc/38/83/98/479388398.db2.gz STXRETKSOBXTRV-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000602540910 479388403 /nfs/dbraw/zinc/38/84/03/479388403.db2.gz STXRETKSOBXTRV-KRWDZBQOSA-N 1 3 349.906 2.716 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000604156501 479477373 /nfs/dbraw/zinc/47/73/73/479477373.db2.gz NDBNTYOFOFCLRX-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604188275 479481943 /nfs/dbraw/zinc/48/19/43/479481943.db2.gz TUYQVWQNYISRRJ-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604188275 479481951 /nfs/dbraw/zinc/48/19/51/479481951.db2.gz TUYQVWQNYISRRJ-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1)C1CC1 ZINC000589144241 479485148 /nfs/dbraw/zinc/48/51/48/479485148.db2.gz DUKNCTFNVXFFSK-HXUWFJFHSA-N 1 3 341.499 2.981 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1)C1CC1 ZINC000589144241 479485156 /nfs/dbraw/zinc/48/51/56/479485156.db2.gz DUKNCTFNVXFFSK-HXUWFJFHSA-N 1 3 341.499 2.981 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000589221372 479502298 /nfs/dbraw/zinc/50/22/98/479502298.db2.gz VTEVBVVJNQDEOH-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000589221372 479502306 /nfs/dbraw/zinc/50/23/06/479502306.db2.gz VTEVBVVJNQDEOH-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602719802 479502403 /nfs/dbraw/zinc/50/24/03/479502403.db2.gz UKJHERBAUAHFOM-IMBTUZDBSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602719802 479502412 /nfs/dbraw/zinc/50/24/12/479502412.db2.gz UKJHERBAUAHFOM-IMBTUZDBSA-N 1 3 328.456 2.896 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000618663999 479541120 /nfs/dbraw/zinc/54/11/20/479541120.db2.gz OMECWZAYEXZJHA-APWZRJJASA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000618663999 479541130 /nfs/dbraw/zinc/54/11/30/479541130.db2.gz OMECWZAYEXZJHA-APWZRJJASA-N 1 3 333.520 2.917 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCCC23CC[NH+](C)CC3)c1C ZINC000600154422 479548876 /nfs/dbraw/zinc/54/88/76/479548876.db2.gz LYYICSUWBXVXDP-UHFFFAOYSA-N 1 3 333.476 2.868 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCCC23CCN(C)CC3)c1C ZINC000600154422 479548881 /nfs/dbraw/zinc/54/88/81/479548881.db2.gz LYYICSUWBXVXDP-UHFFFAOYSA-N 1 3 333.476 2.868 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCCC23CCN(C)CC3)c1C ZINC000600154422 479548884 /nfs/dbraw/zinc/54/88/84/479548884.db2.gz LYYICSUWBXVXDP-UHFFFAOYSA-N 1 3 333.476 2.868 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000576162279 479554166 /nfs/dbraw/zinc/55/41/66/479554166.db2.gz UEUUQOXVHVDZBO-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000576162279 479554173 /nfs/dbraw/zinc/55/41/73/479554173.db2.gz UEUUQOXVHVDZBO-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576172859 479556210 /nfs/dbraw/zinc/55/62/10/479556210.db2.gz KZMKIKXJPNQAOX-ZWKOTPCHSA-N 1 3 345.531 2.928 20 0 EFADHO COC(=O)c1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000597133281 479589659 /nfs/dbraw/zinc/58/96/59/479589659.db2.gz QNELPGSPRDJVGF-INIZCTEOSA-N 1 3 334.435 2.776 20 0 EFADHO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000597237619 479636306 /nfs/dbraw/zinc/63/63/06/479636306.db2.gz ACZQHMREEDWQAH-IEBWSBKVSA-N 1 3 331.460 2.762 20 0 EFADHO CCc1oc(CNCC2CC[NH+](CC3CC3)CC2)cc1C(=O)OC ZINC000597248081 479643156 /nfs/dbraw/zinc/64/31/56/479643156.db2.gz LPGFSPGDJGHZOS-UHFFFAOYSA-N 1 3 334.460 2.840 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618984184 479658939 /nfs/dbraw/zinc/65/89/39/479658939.db2.gz SHMDZDCFSRCNMQ-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000618984184 479658942 /nfs/dbraw/zinc/65/89/42/479658942.db2.gz SHMDZDCFSRCNMQ-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000579099858 479660675 /nfs/dbraw/zinc/66/06/75/479660675.db2.gz COLCBYXMRHDTLI-OCCSQVGLSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCNC1 ZINC000579099858 479660677 /nfs/dbraw/zinc/66/06/77/479660677.db2.gz COLCBYXMRHDTLI-OCCSQVGLSA-N 1 3 331.382 2.543 20 0 EFADHO CC1CCN(CC(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CC1 ZINC000615444117 479674541 /nfs/dbraw/zinc/67/45/41/479674541.db2.gz RRQWVCPZRPCDSV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)CN(C)C(C)C)C2)s1 ZINC000579280145 479681645 /nfs/dbraw/zinc/68/16/45/479681645.db2.gz LYJGWHDZQQYAPH-INIZCTEOSA-N 1 3 337.533 2.677 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CN(C)C(C)C)C2)s1 ZINC000579280145 479681649 /nfs/dbraw/zinc/68/16/49/479681649.db2.gz LYJGWHDZQQYAPH-INIZCTEOSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[N@@H+]1C ZINC000630764435 479692869 /nfs/dbraw/zinc/69/28/69/479692869.db2.gz VQHVCXWUXCNLMU-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccccc3C)CC2)CC[N@H+]1C ZINC000630764435 479692873 /nfs/dbraw/zinc/69/28/73/479692873.db2.gz VQHVCXWUXCNLMU-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC000615600612 479703829 /nfs/dbraw/zinc/70/38/29/479703829.db2.gz DMMVCTBSUMPAJQ-UYAOXDASSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC000615600612 479703837 /nfs/dbraw/zinc/70/38/37/479703837.db2.gz DMMVCTBSUMPAJQ-UYAOXDASSA-N 1 3 333.520 2.728 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606659199 479717239 /nfs/dbraw/zinc/71/72/39/479717239.db2.gz RUUBJTWACQWCQC-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CC[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642374 479735221 /nfs/dbraw/zinc/73/52/21/479735221.db2.gz LORVNEQFTXVOBQ-FXAWDEMLSA-N 1 3 343.515 2.719 20 0 EFADHO CC(C)(CNC(=O)CC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642964 479736867 /nfs/dbraw/zinc/73/68/67/479736867.db2.gz YJMCQAHXXNWTCF-KRWDZBQOSA-N 1 3 343.515 2.719 20 0 EFADHO CN(C)C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000621659186 479740079 /nfs/dbraw/zinc/74/00/79/479740079.db2.gz BNIBYMHMHFIXGJ-PBHICJAKSA-N 1 3 337.895 2.839 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccco1 ZINC000625024126 479742014 /nfs/dbraw/zinc/74/20/14/479742014.db2.gz IGWRBHDWEFXMMZ-IRXDYDNUSA-N 1 3 335.492 2.648 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C[C@H](C)c1ccco1 ZINC000625024126 479742018 /nfs/dbraw/zinc/74/20/18/479742018.db2.gz IGWRBHDWEFXMMZ-IRXDYDNUSA-N 1 3 335.492 2.648 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621667661 479744917 /nfs/dbraw/zinc/74/49/17/479744917.db2.gz JFBWWXDPGWGBGK-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1cc(C)c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000630862111 479749160 /nfs/dbraw/zinc/74/91/60/479749160.db2.gz DRLCMHJVPRAXSX-UHFFFAOYSA-N 1 3 335.517 2.653 20 0 EFADHO CC1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000621681463 479750914 /nfs/dbraw/zinc/75/09/14/479750914.db2.gz SEULKXIIXZDUIF-NQIIRXRSSA-N 1 3 341.499 2.629 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CCCC[NH+](C)C)CC1 ZINC000607047428 479772772 /nfs/dbraw/zinc/77/27/72/479772772.db2.gz HYVHQZLUCOUGDJ-UHFFFAOYSA-N 1 3 332.492 2.863 20 0 EFADHO CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633342554 479777627 /nfs/dbraw/zinc/77/76/27/479777627.db2.gz JBUDIRGFJOEWTF-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000621773154 479786665 /nfs/dbraw/zinc/78/66/65/479786665.db2.gz HMRURYSNKZNIDD-PLACYPQZSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000621773154 479786672 /nfs/dbraw/zinc/78/66/72/479786672.db2.gz HMRURYSNKZNIDD-PLACYPQZSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000628186523 479801994 /nfs/dbraw/zinc/80/19/94/479801994.db2.gz NGMGFEDYVHDYEG-OXQOHEQNSA-N 1 3 326.488 2.626 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)NC2CCN(CC)CC2)CC1 ZINC000616006953 479806886 /nfs/dbraw/zinc/80/68/86/479806886.db2.gz WAQGMNDXCSGLLG-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCN(CC)CC2)CC1 ZINC000616006953 479806893 /nfs/dbraw/zinc/80/68/93/479806893.db2.gz WAQGMNDXCSGLLG-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@@H](C)CCC3(C)C)CC2)CC1 ZINC000616165911 479841658 /nfs/dbraw/zinc/84/16/58/479841658.db2.gz WKCQCYYPFUYVQM-INIZCTEOSA-N 1 3 335.536 2.972 20 0 EFADHO COCCc1ncc(CNCCCC[NH+]2CCC(C)CC2)s1 ZINC000631042996 479853465 /nfs/dbraw/zinc/85/34/65/479853465.db2.gz PDQRIWFUWNAEDV-UHFFFAOYSA-N 1 3 325.522 2.934 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC)c1OC ZINC000631565088 480158354 /nfs/dbraw/zinc/15/83/54/480158354.db2.gz CIZVFPWZXPFZTG-GOSISDBHSA-N 1 3 349.519 2.772 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631570912 480160693 /nfs/dbraw/zinc/16/06/93/480160693.db2.gz VZHLVJSYSNTMOF-FUHWJXTLSA-N 1 3 347.503 2.525 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631570913 480160917 /nfs/dbraw/zinc/16/09/17/480160917.db2.gz VZHLVJSYSNTMOF-SJLPKXTDSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C[C@@H](C)O1 ZINC000631596114 480173694 /nfs/dbraw/zinc/17/36/94/480173694.db2.gz HTUGULYSYWNZQA-GFEQUFNTSA-N 1 3 336.520 2.813 20 0 EFADHO COc1ccc2c(c1)CC[C@@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000631603302 480177508 /nfs/dbraw/zinc/17/75/08/480177508.db2.gz RWNAHHMYCNNYDO-IBGZPJMESA-N 1 3 341.455 2.808 20 0 EFADHO O[C@H]1CC[N@H+](Cc2ccccc2CN[C@@H]2CCCc3ncccc32)C1 ZINC000631616165 480183618 /nfs/dbraw/zinc/18/36/18/480183618.db2.gz GBBCKAANWWDIFP-GHTZIAJQSA-N 1 3 337.467 2.815 20 0 EFADHO O[C@H]1CC[N@@H+](Cc2ccccc2CN[C@@H]2CCCc3ncccc32)C1 ZINC000631616165 480183627 /nfs/dbraw/zinc/18/36/27/480183627.db2.gz GBBCKAANWWDIFP-GHTZIAJQSA-N 1 3 337.467 2.815 20 0 EFADHO CCC1(N2CCOCC2)CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000626089397 480195956 /nfs/dbraw/zinc/19/59/56/480195956.db2.gz OQQBXDCFOUGQMZ-IBGZPJMESA-N 1 3 337.552 2.826 20 0 EFADHO CCC1(N2CCOCC2)CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000626089397 480195963 /nfs/dbraw/zinc/19/59/63/480195963.db2.gz OQQBXDCFOUGQMZ-IBGZPJMESA-N 1 3 337.552 2.826 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cc2)CC1 ZINC000623363977 480251252 /nfs/dbraw/zinc/25/12/52/480251252.db2.gz NWZCJRUOVQWELZ-UHFFFAOYSA-N 1 3 349.482 2.600 20 0 EFADHO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614335430 480273907 /nfs/dbraw/zinc/27/39/07/480273907.db2.gz OVUWEOIIFDXQCD-LJQANCHMSA-N 1 3 338.455 2.803 20 0 EFADHO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614335430 480273913 /nfs/dbraw/zinc/27/39/13/480273913.db2.gz OVUWEOIIFDXQCD-LJQANCHMSA-N 1 3 338.455 2.803 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000620931551 480276723 /nfs/dbraw/zinc/27/67/23/480276723.db2.gz GZZXCSWZFDMPDO-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC000620930833 480277317 /nfs/dbraw/zinc/27/73/17/480277317.db2.gz YETHMOROQAETBT-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@@H](CC(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000620935598 480279625 /nfs/dbraw/zinc/27/96/25/480279625.db2.gz SIVSHUXWSFJGIO-FQEVSTJZSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629531962 480295629 /nfs/dbraw/zinc/29/56/29/480295629.db2.gz FZSLZWMNVWZTOJ-FZMZJTMJSA-N 1 3 327.831 2.692 20 0 EFADHO O=C1[C@@H](N2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCCCC1 ZINC000629548776 480301697 /nfs/dbraw/zinc/30/16/97/480301697.db2.gz YCGQYOGWKCVUCD-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC000629554990 480304434 /nfs/dbraw/zinc/30/44/34/480304434.db2.gz PIGVGLLWZSTATQ-DFQSSKMNSA-N 1 3 334.504 2.855 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCC1 ZINC000629558500 480305900 /nfs/dbraw/zinc/30/59/00/480305900.db2.gz ITDLYTFPANHDLD-DOMZBBRYSA-N 1 3 331.287 2.971 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000623485510 480306181 /nfs/dbraw/zinc/30/61/81/480306181.db2.gz CPOMGVKHKNICAD-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000623485510 480306190 /nfs/dbraw/zinc/30/61/90/480306190.db2.gz CPOMGVKHKNICAD-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000629565461 480309969 /nfs/dbraw/zinc/30/99/69/480309969.db2.gz PTFVELSTGUVZJT-AQNXPRMDSA-N 1 3 332.488 2.509 20 0 EFADHO O[C@@H](CNCCCO[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000629566170 480311790 /nfs/dbraw/zinc/31/17/90/480311790.db2.gz MOZUAVFSPFYTOG-ICSRJNTNSA-N 1 3 332.488 2.517 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@H]3CC3(C)C)CC2)CC1 ZINC000621044664 480316938 /nfs/dbraw/zinc/31/69/38/480316938.db2.gz KOTIXPSAMKCDRZ-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000621107610 480337349 /nfs/dbraw/zinc/33/73/49/480337349.db2.gz JGHUBPMOQUCSNC-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000621107610 480337353 /nfs/dbraw/zinc/33/73/53/480337353.db2.gz JGHUBPMOQUCSNC-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000621106110 480337838 /nfs/dbraw/zinc/33/78/38/480337838.db2.gz DPBDGWQYHXBMDW-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000621106110 480337842 /nfs/dbraw/zinc/33/78/42/480337842.db2.gz DPBDGWQYHXBMDW-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(CCOCC[NH3+])Cc1cccc(OCc2ccccc2F)c1 ZINC000629662165 480348691 /nfs/dbraw/zinc/34/86/91/480348691.db2.gz GADJYWVEUOUMHE-UHFFFAOYSA-N 1 3 332.419 2.812 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2cccc([C@H]3CNCCO3)c2)c1 ZINC000629700885 480363038 /nfs/dbraw/zinc/36/30/38/480363038.db2.gz QBZUUFFNAKSXLZ-HXUWFJFHSA-N 1 3 326.440 2.955 20 0 EFADHO CC(C)[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000621157097 480364852 /nfs/dbraw/zinc/36/48/52/480364852.db2.gz ODFZLGJKDVXVRT-LJQANCHMSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000623657610 480383487 /nfs/dbraw/zinc/38/34/87/480383487.db2.gz VKIMNLXOAKSWBE-CQSZACIVSA-N 1 3 333.867 2.742 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000644422159 480384930 /nfs/dbraw/zinc/38/49/30/480384930.db2.gz LFTQDEUWIHIXOU-HOCLYGCPSA-N 1 3 346.393 2.563 20 0 EFADHO CC1(C)CC(NC[C@]2(O)CCN(Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000634637228 480386774 /nfs/dbraw/zinc/38/67/74/480386774.db2.gz QUGAQOHUWYZZHG-OAQYLSRUSA-N 1 3 345.531 2.522 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000644532060 480421824 /nfs/dbraw/zinc/42/18/24/480421824.db2.gz YFVCSDVAGJAESO-MOPGFXCFSA-N 1 3 334.504 2.753 20 0 EFADHO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000634688004 480430941 /nfs/dbraw/zinc/43/09/41/480430941.db2.gz FIAVOHNPPUREAA-AZUAARDMSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CC[N@H+]1CCCC[C@@H]1[C@H](CN)Cc1ccccc1 ZINC000634688004 480430943 /nfs/dbraw/zinc/43/09/43/480430943.db2.gz FIAVOHNPPUREAA-AZUAARDMSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CCN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000634688004 480430950 /nfs/dbraw/zinc/43/09/50/480430950.db2.gz FIAVOHNPPUREAA-AZUAARDMSA-N 1 3 326.488 2.635 20 0 EFADHO CO[C@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976661 480432488 /nfs/dbraw/zinc/43/24/88/480432488.db2.gz FOBWDAANWOUJKU-AZUAARDMSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@H](C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976661 480432496 /nfs/dbraw/zinc/43/24/96/480432496.db2.gz FOBWDAANWOUJKU-AZUAARDMSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@H](C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976661 480432505 /nfs/dbraw/zinc/43/25/05/480432505.db2.gz FOBWDAANWOUJKU-AZUAARDMSA-N 1 3 338.536 2.872 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000644569343 480444687 /nfs/dbraw/zinc/44/46/87/480444687.db2.gz JCQPZRWKLVOSKG-OAHLLOKOSA-N 1 3 325.403 2.757 20 0 EFADHO CC1CCC(O)(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)CC1 ZINC000644580775 480450701 /nfs/dbraw/zinc/45/07/01/480450701.db2.gz OUOZNZQEKTXTEI-UHFFFAOYSA-N 1 3 346.515 2.674 20 0 EFADHO CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000644583824 480452035 /nfs/dbraw/zinc/45/20/35/480452035.db2.gz PDTHBMSCWGQNGQ-HRCADAONSA-N 1 3 338.517 2.611 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000617976188 480457804 /nfs/dbraw/zinc/45/78/04/480457804.db2.gz SULYPXONLBJZCO-MRXNPFEDSA-N 1 3 346.519 2.577 20 0 EFADHO CCOc1cncc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000621343635 480464178 /nfs/dbraw/zinc/46/41/78/480464178.db2.gz LSOOITJLPKNJEQ-UHFFFAOYSA-N 1 3 326.444 2.882 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000644601511 480465399 /nfs/dbraw/zinc/46/53/99/480465399.db2.gz PCESARGVPPLZPC-UMSONDCASA-N 1 3 346.515 2.509 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000644601511 480465407 /nfs/dbraw/zinc/46/54/07/480465407.db2.gz PCESARGVPPLZPC-UMSONDCASA-N 1 3 346.515 2.509 20 0 EFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)C12CCC[NH+](CCC1)C2 ZINC000635567556 480469355 /nfs/dbraw/zinc/46/93/55/480469355.db2.gz BDEGEDNLRIUDQQ-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CCC[C@@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000638033525 480479390 /nfs/dbraw/zinc/47/93/90/480479390.db2.gz LHDGZEQIFRLZEZ-FQEVSTJZSA-N 1 3 333.520 2.551 20 0 EFADHO CCC[C@@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000638033525 480479399 /nfs/dbraw/zinc/47/93/99/480479399.db2.gz LHDGZEQIFRLZEZ-FQEVSTJZSA-N 1 3 333.520 2.551 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629970469 480483364 /nfs/dbraw/zinc/48/33/64/480483364.db2.gz QXUYHWVLIWWGRF-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629970469 480483368 /nfs/dbraw/zinc/48/33/68/480483368.db2.gz QXUYHWVLIWWGRF-WMZOPIPTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629971206 480485147 /nfs/dbraw/zinc/48/51/47/480485147.db2.gz CHYICGJGANVUBE-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000629971206 480485152 /nfs/dbraw/zinc/48/51/52/480485152.db2.gz CHYICGJGANVUBE-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623856160 480488133 /nfs/dbraw/zinc/48/81/33/480488133.db2.gz OJLAQGSSKWHOSK-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623856160 480488140 /nfs/dbraw/zinc/48/81/40/480488140.db2.gz OJLAQGSSKWHOSK-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC000638063695 480503571 /nfs/dbraw/zinc/50/35/71/480503571.db2.gz OVCUICBOFLHGIN-BPAFIMBUSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000638063695 480503574 /nfs/dbraw/zinc/50/35/74/480503574.db2.gz OVCUICBOFLHGIN-BPAFIMBUSA-N 1 3 345.487 2.767 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000638064783 480506269 /nfs/dbraw/zinc/50/62/69/480506269.db2.gz WXUNHCGFGKJULE-AZUAARDMSA-N 1 3 345.487 2.624 20 0 EFADHO CC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888778 480506774 /nfs/dbraw/zinc/50/67/74/480506774.db2.gz ULRJTEMGVQMKCG-HKUYNNGSSA-N 1 3 331.504 2.932 20 0 EFADHO CC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888778 480506783 /nfs/dbraw/zinc/50/67/83/480506783.db2.gz ULRJTEMGVQMKCG-HKUYNNGSSA-N 1 3 331.504 2.932 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635619394 480510951 /nfs/dbraw/zinc/51/09/51/480510951.db2.gz JBDAAKZPBRKEPY-UXHICEINSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000635619394 480510961 /nfs/dbraw/zinc/51/09/61/480510961.db2.gz JBDAAKZPBRKEPY-UXHICEINSA-N 1 3 341.499 2.736 20 0 EFADHO CN(Cc1ccccc1)C[C@H](O)CNc1ccccc1CC[NH+](C)C ZINC000644699528 480526522 /nfs/dbraw/zinc/52/65/22/480526522.db2.gz QJDLADCBGUBHHO-HXUWFJFHSA-N 1 3 341.499 2.696 20 0 EFADHO CN(Cc1ccccc1)C[C@@H](O)CNc1ccccc1CC[NH+](C)C ZINC000644699527 480526601 /nfs/dbraw/zinc/52/66/01/480526601.db2.gz QJDLADCBGUBHHO-FQEVSTJZSA-N 1 3 341.499 2.696 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638118579 480544754 /nfs/dbraw/zinc/54/47/54/480544754.db2.gz AURKEEMAJYXTNY-YTQUADARSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638118579 480544761 /nfs/dbraw/zinc/54/47/61/480544761.db2.gz AURKEEMAJYXTNY-YTQUADARSA-N 1 3 331.504 2.777 20 0 EFADHO COc1cc2nccc(N[C@H](C)C3CC[NH+](C)CC3)c2cc1OC ZINC000623969815 480547725 /nfs/dbraw/zinc/54/77/25/480547725.db2.gz UVDWWYZMNHEUEK-CYBMUJFWSA-N 1 3 329.444 2.816 20 0 EFADHO CC[C@H](C)[C@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638153279 480570619 /nfs/dbraw/zinc/57/06/19/480570619.db2.gz QFWMTHSBOBKEIA-HKUYNNGSSA-N 1 3 325.541 2.538 20 0 EFADHO COc1cccc([C@@H](CNC2CC[NH+](C[C@H]3CCCO3)CC2)OC)c1 ZINC000624032747 480577438 /nfs/dbraw/zinc/57/74/38/480577438.db2.gz XGFOBOVEBZMTLX-WOJBJXKFSA-N 1 3 348.487 2.616 20 0 EFADHO NC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccc2ccccc2c1 ZINC000638207539 480604350 /nfs/dbraw/zinc/60/43/50/480604350.db2.gz ZMDYKNKUSPNNJP-LJQANCHMSA-N 1 3 337.467 2.832 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@H]1C ZINC000624093062 480604433 /nfs/dbraw/zinc/60/44/33/480604433.db2.gz NATBKCQAJYTVRU-LCLWPZTBSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@H]1C ZINC000624093062 480604439 /nfs/dbraw/zinc/60/44/39/480604439.db2.gz NATBKCQAJYTVRU-LCLWPZTBSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@@H]1C ZINC000624093063 480605579 /nfs/dbraw/zinc/60/55/79/480605579.db2.gz NATBKCQAJYTVRU-QGZVKYPTSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@@H]1C ZINC000624093063 480605586 /nfs/dbraw/zinc/60/55/86/480605586.db2.gz NATBKCQAJYTVRU-QGZVKYPTSA-N 1 3 343.515 2.711 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCCN(C)C2)cc1 ZINC000624119895 480619523 /nfs/dbraw/zinc/61/95/23/480619523.db2.gz LUEFUOQOTJRKIC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119895 480619526 /nfs/dbraw/zinc/61/95/26/480619526.db2.gz LUEFUOQOTJRKIC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000624119895 480619529 /nfs/dbraw/zinc/61/95/29/480619529.db2.gz LUEFUOQOTJRKIC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000624122692 480620477 /nfs/dbraw/zinc/62/04/77/480620477.db2.gz YTRIQQIBKIAXNX-IRFCIJBXSA-N 1 3 345.531 2.770 20 0 EFADHO CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCCN(C)C2)c2ccccc2C1 ZINC000624122640 480620962 /nfs/dbraw/zinc/62/09/62/480620962.db2.gz XINDKTMJEGWTNU-YLJYHZDGSA-N 1 3 329.488 2.801 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624120652 480621078 /nfs/dbraw/zinc/62/10/78/480621078.db2.gz DLDOQHPNCNDPCZ-WSTZPKSXSA-N 1 3 330.520 2.614 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000624122695 480621173 /nfs/dbraw/zinc/62/11/73/480621173.db2.gz YTRIQQIBKIAXNX-ZVDOUQERSA-N 1 3 345.531 2.770 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635780732 480627082 /nfs/dbraw/zinc/62/70/82/480627082.db2.gz SJKQFKYICYNITC-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635780732 480627087 /nfs/dbraw/zinc/62/70/87/480627087.db2.gz SJKQFKYICYNITC-HKUYNNGSSA-N 1 3 345.531 2.991 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000618354055 480637197 /nfs/dbraw/zinc/63/71/97/480637197.db2.gz SKJKCVWLWNIWHX-PKOBYXMFSA-N 1 3 345.531 2.929 20 0 EFADHO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273922 480639077 /nfs/dbraw/zinc/63/90/77/480639077.db2.gz LZKAENPPMFWFNH-OXJNMPFZSA-N 1 3 334.504 2.794 20 0 EFADHO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273924 480639813 /nfs/dbraw/zinc/63/98/13/480639813.db2.gz LZKAENPPMFWFNH-OXQOHEQNSA-N 1 3 334.504 2.794 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638351986 480679143 /nfs/dbraw/zinc/67/91/43/480679143.db2.gz NLZDPEZDWTUSNC-IEBWSBKVSA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638351986 480679147 /nfs/dbraw/zinc/67/91/47/480679147.db2.gz NLZDPEZDWTUSNC-IEBWSBKVSA-N 1 3 329.488 2.859 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009030 480685166 /nfs/dbraw/zinc/68/51/66/480685166.db2.gz LQNWHIOOTCJPRP-LJQANCHMSA-N 1 3 338.455 2.989 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638363763 480685203 /nfs/dbraw/zinc/68/52/03/480685203.db2.gz QUIHWPJTHBGXRF-GFCCVEGCSA-N 1 3 345.318 2.691 20 0 EFADHO c1cc(N2CCNCC2)cc(NC2CCC3(CCOCC3)CC2)[nH+]1 ZINC000635009531 480687151 /nfs/dbraw/zinc/68/71/51/480687151.db2.gz NXAYMXYHDFAAOT-UHFFFAOYSA-N 1 3 330.476 2.643 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2C1 ZINC000635010149 480687263 /nfs/dbraw/zinc/68/72/63/480687263.db2.gz IXUKQYQIZBPMBS-PKOBYXMFSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638368534 480688480 /nfs/dbraw/zinc/68/84/80/480688480.db2.gz AEOGQOGCBMDKMN-HOTGVXAUSA-N 1 3 333.476 2.701 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]CC3CCSCC3)cc2)CC1 ZINC000638367440 480688697 /nfs/dbraw/zinc/68/86/97/480688697.db2.gz ORUUDNFTZCDBQB-UHFFFAOYSA-N 1 3 333.545 2.667 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]CCC2CCOCC2)CC1 ZINC000638373970 480691063 /nfs/dbraw/zinc/69/10/63/480691063.db2.gz KNBXQMZIBBAXMJ-UHFFFAOYSA-N 1 3 345.531 2.730 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CN[C@@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373287 480691106 /nfs/dbraw/zinc/69/11/06/480691106.db2.gz BGYDMPCKPIUOPI-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373287 480691110 /nfs/dbraw/zinc/69/11/10/480691110.db2.gz BGYDMPCKPIUOPI-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638415445 480712933 /nfs/dbraw/zinc/71/29/33/480712933.db2.gz ZAZWYALALMWVRV-CEWLAPEOSA-N 1 3 346.515 2.978 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638415445 480712938 /nfs/dbraw/zinc/71/29/38/480712938.db2.gz ZAZWYALALMWVRV-CEWLAPEOSA-N 1 3 346.515 2.978 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000635935597 480713530 /nfs/dbraw/zinc/71/35/30/480713530.db2.gz NHLYOYRDHHGEMG-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645165406 480725191 /nfs/dbraw/zinc/72/51/91/480725191.db2.gz LVMZVJCTHRRIIC-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCN(C)C1 ZINC000645165406 480725195 /nfs/dbraw/zinc/72/51/95/480725195.db2.gz LVMZVJCTHRRIIC-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)[C@]12CCCO2 ZINC000638453521 480732755 /nfs/dbraw/zinc/73/27/55/480732755.db2.gz DAJJRSNUPYBNMD-VAMGGRTRSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000638457486 480735939 /nfs/dbraw/zinc/73/59/39/480735939.db2.gz RXXAUVGOXBTURK-DOTOQJQBSA-N 1 3 349.544 2.997 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645204730 480742791 /nfs/dbraw/zinc/74/27/91/480742791.db2.gz PROWVOQGYTUZGS-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645204730 480742793 /nfs/dbraw/zinc/74/27/93/480742793.db2.gz PROWVOQGYTUZGS-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[N@H+](CCCNC(=O)[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635140048 480744298 /nfs/dbraw/zinc/74/42/98/480744298.db2.gz QVGVLIUOBKDVFD-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635140048 480744303 /nfs/dbraw/zinc/74/43/03/480744303.db2.gz QVGVLIUOBKDVFD-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCOC[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638522356 480763454 /nfs/dbraw/zinc/76/34/54/480763454.db2.gz PKMSAAIHQKXNPH-QFUCXCTJSA-N 1 3 344.499 2.997 20 0 EFADHO c1ccc([C@@H]2C[C@H](NCCOC[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638522356 480763463 /nfs/dbraw/zinc/76/34/63/480763463.db2.gz PKMSAAIHQKXNPH-QFUCXCTJSA-N 1 3 344.499 2.997 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638565825 480783561 /nfs/dbraw/zinc/78/35/61/480783561.db2.gz XLUQPXPJYAXYDU-XLIONFOSSA-N 1 3 345.531 2.647 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638565825 480783566 /nfs/dbraw/zinc/78/35/66/480783566.db2.gz XLUQPXPJYAXYDU-XLIONFOSSA-N 1 3 345.531 2.647 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000632899503 480785827 /nfs/dbraw/zinc/78/58/27/480785827.db2.gz TXYOHMMOOJQKRH-OAHLLOKOSA-N 1 3 348.491 2.657 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]CC(C)(C)Oc3ccccc3)C2)CC1 ZINC000638586228 480788207 /nfs/dbraw/zinc/78/82/07/480788207.db2.gz LIIYXNKGMUATOU-QGZVFWFLSA-N 1 3 331.504 2.602 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@@H](OC(C)(C)C)C34CCC4)C2)CC1 ZINC000638586178 480788466 /nfs/dbraw/zinc/78/84/66/480788466.db2.gz KLVVSVMXMRXKAU-QXAKKESOSA-N 1 3 349.563 2.871 20 0 EFADHO COC[C@](C)(O)C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638584583 480788503 /nfs/dbraw/zinc/78/85/03/480788503.db2.gz UEJUYQQEVARYLN-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@](C)(O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638584583 480788505 /nfs/dbraw/zinc/78/85/05/480788505.db2.gz UEJUYQQEVARYLN-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@](C)(O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638584583 480788508 /nfs/dbraw/zinc/78/85/08/480788508.db2.gz UEJUYQQEVARYLN-RTWAWAEBSA-N 1 3 348.531 2.912 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+]C[C@@]3(C)C[C@@H]3c3ccccc3)C2)CC1 ZINC000638587915 480789622 /nfs/dbraw/zinc/78/96/22/480789622.db2.gz INUQTIVHXBMMQF-CEWLAPEOSA-N 1 3 327.516 2.938 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000630578483 480790526 /nfs/dbraw/zinc/79/05/26/480790526.db2.gz NOPVWJRMSCIZRB-RBUKOAKNSA-N 1 3 338.455 2.625 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000624556417 480816140 /nfs/dbraw/zinc/81/61/40/480816140.db2.gz OWVWORCFPGMCDN-QGZVKYPTSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000624556417 480816146 /nfs/dbraw/zinc/81/61/46/480816146.db2.gz OWVWORCFPGMCDN-QGZVKYPTSA-N 1 3 343.515 2.568 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000632953013 480819107 /nfs/dbraw/zinc/81/91/07/480819107.db2.gz NUMIOAAREQFOOU-UHFFFAOYSA-N 1 3 330.476 2.936 20 0 EFADHO C[C@H]([NH3+])c1ccc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 ZINC000632960476 480823407 /nfs/dbraw/zinc/82/34/07/480823407.db2.gz GNKZVRBZYCYEKF-ZDUSSCGKSA-N 1 3 342.447 2.814 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635329319 480823531 /nfs/dbraw/zinc/82/35/31/480823531.db2.gz ADAYXZRXAJTGOT-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000635329319 480823535 /nfs/dbraw/zinc/82/35/35/480823535.db2.gz ADAYXZRXAJTGOT-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(Cl)c1 ZINC000638699032 480834873 /nfs/dbraw/zinc/83/48/73/480834873.db2.gz QLUYDENJEIMUDP-CQSZACIVSA-N 1 3 340.895 2.932 20 0 EFADHO COCCCN(C)CC[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638713105 480839020 /nfs/dbraw/zinc/83/90/20/480839020.db2.gz VHMHSPRDAWDDGC-PZJWPPBQSA-N 1 3 345.531 2.912 20 0 EFADHO COCCCN(C)CC[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638713104 480839050 /nfs/dbraw/zinc/83/90/50/480839050.db2.gz VHMHSPRDAWDDGC-FPOVZHCZSA-N 1 3 345.531 2.912 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NC[C@@H]2SCCc3ccccc32)CC1 ZINC000638716132 480839127 /nfs/dbraw/zinc/83/91/27/480839127.db2.gz IEWBBAVQOPWSJL-SFHVURJKSA-N 1 3 334.529 2.842 20 0 EFADHO CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638718135 480839862 /nfs/dbraw/zinc/83/98/62/480839862.db2.gz DSNABMDIQLUSLU-OXJNMPFZSA-N 1 3 334.504 2.794 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](N)Cc2ccccc2)C12CCOCC2 ZINC000630682933 480842478 /nfs/dbraw/zinc/84/24/78/480842478.db2.gz WYVZISMHVUFGRW-IPMKNSEASA-N 1 3 332.488 2.510 20 0 EFADHO CCO[C@@H]1C[C@@H](NCC[C@H]([NH3+])Cc2ccccc2)C12CCOCC2 ZINC000630682933 480842481 /nfs/dbraw/zinc/84/24/81/480842481.db2.gz WYVZISMHVUFGRW-IPMKNSEASA-N 1 3 332.488 2.510 20 0 EFADHO CC[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1F ZINC000638732989 480845169 /nfs/dbraw/zinc/84/51/69/480845169.db2.gz RXPNKZASBHJHPU-INIZCTEOSA-N 1 3 338.467 2.808 20 0 EFADHO CO[C@H](C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000638749704 480851194 /nfs/dbraw/zinc/85/11/94/480851194.db2.gz LLZHXEILHOMTOS-HBMCJLEFSA-N 1 3 346.515 2.602 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000645472841 480856158 /nfs/dbraw/zinc/85/61/58/480856158.db2.gz JOOFUCHYNADPNG-HKUYNNGSSA-N 1 3 331.504 2.649 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000645473075 480857637 /nfs/dbraw/zinc/85/76/37/480857637.db2.gz VNQUEQGAPJUGFD-UHFFFAOYSA-N 1 3 329.488 2.548 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645502833 480870492 /nfs/dbraw/zinc/87/04/92/480870492.db2.gz IIUJOKOGHSSSSB-CRAIPNDOSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2NCC2(C)C)cc1 ZINC000645502833 480870496 /nfs/dbraw/zinc/87/04/96/480870496.db2.gz IIUJOKOGHSSSSB-CRAIPNDOSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000641226591 480875923 /nfs/dbraw/zinc/87/59/23/480875923.db2.gz CYFMRDWHWIHNIG-NEWSRXKRSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]C[C@@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC000638809609 480878896 /nfs/dbraw/zinc/87/88/96/480878896.db2.gz SWYUHXOGGUMRKM-RTWAWAEBSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638809609 480878901 /nfs/dbraw/zinc/87/89/01/480878901.db2.gz SWYUHXOGGUMRKM-RTWAWAEBSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638809609 480878905 /nfs/dbraw/zinc/87/89/05/480878905.db2.gz SWYUHXOGGUMRKM-RTWAWAEBSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@@H]2CCCN(c3ccccc3F)C2)CC1 ZINC000638816227 480881698 /nfs/dbraw/zinc/88/16/98/480881698.db2.gz FRBXKZFDLXUNSY-QGZVFWFLSA-N 1 3 349.494 2.619 20 0 EFADHO COC[C@@H](O)CC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638829584 480887090 /nfs/dbraw/zinc/88/70/90/480887090.db2.gz LRSWGTJKCDIMQM-FPOVZHCZSA-N 1 3 348.531 2.912 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851581 480895693 /nfs/dbraw/zinc/89/56/93/480895693.db2.gz KFXBMUYKHXLSOO-LPHOPBHVSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851581 480895697 /nfs/dbraw/zinc/89/56/97/480895697.db2.gz KFXBMUYKHXLSOO-LPHOPBHVSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851582 480895724 /nfs/dbraw/zinc/89/57/24/480895724.db2.gz KFXBMUYKHXLSOO-QFBILLFUSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cccc2c1CNC2 ZINC000638851582 480895727 /nfs/dbraw/zinc/89/57/27/480895727.db2.gz KFXBMUYKHXLSOO-QFBILLFUSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856095 480898730 /nfs/dbraw/zinc/89/87/30/480898730.db2.gz UTLJYHXOYPYMKW-AEFFLSMTSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856095 480898734 /nfs/dbraw/zinc/89/87/34/480898734.db2.gz UTLJYHXOYPYMKW-AEFFLSMTSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856096 480899280 /nfs/dbraw/zinc/89/92/80/480899280.db2.gz UTLJYHXOYPYMKW-FUHWJXTLSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856096 480899283 /nfs/dbraw/zinc/89/92/83/480899283.db2.gz UTLJYHXOYPYMKW-FUHWJXTLSA-N 1 3 341.499 2.532 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](CN)c2ccccc2)CC1 ZINC000638861801 480900455 /nfs/dbraw/zinc/90/04/55/480900455.db2.gz GMUBWEGQCKPMOQ-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000638861802 480900910 /nfs/dbraw/zinc/90/09/10/480900910.db2.gz GMUBWEGQCKPMOQ-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO c1ccc([C@H]2C[C@@H](NCCN3CCSCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638866636 480902250 /nfs/dbraw/zinc/90/22/50/480902250.db2.gz LRFSNERZCUTAIJ-AZUAARDMSA-N 1 3 345.556 2.993 20 0 EFADHO c1ccc([C@H]2C[C@@H](NCCN3CCSCC3)CC[N@H+]2C2CC2)cc1 ZINC000638866636 480902253 /nfs/dbraw/zinc/90/22/53/480902253.db2.gz LRFSNERZCUTAIJ-AZUAARDMSA-N 1 3 345.556 2.993 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000645693193 480915941 /nfs/dbraw/zinc/91/59/41/480915941.db2.gz KAUPAHPXJANVJF-JOCLIGHLSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000639000708 480928096 /nfs/dbraw/zinc/92/80/96/480928096.db2.gz AICDAYSBSUBEEI-LJQANCHMSA-N 1 3 349.478 2.645 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000639001947 480928107 /nfs/dbraw/zinc/92/81/07/480928107.db2.gz SCUDFXPYHGNEDK-TZIWHRDSSA-N 1 3 349.478 2.573 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000639006143 480929027 /nfs/dbraw/zinc/92/90/27/480929027.db2.gz UCHCKXHIFNJELR-UXHICEINSA-N 1 3 337.467 2.776 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000645786930 480931644 /nfs/dbraw/zinc/93/16/44/480931644.db2.gz LDCCCDYKBATSCR-DYXWJJEUSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[C@H]([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000639042329 480934392 /nfs/dbraw/zinc/93/43/92/480934392.db2.gz LODJGTHZWZDUTQ-NSISKUIASA-N 1 3 343.515 2.716 20 0 EFADHO CCCCN1CCCC[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000645824371 480938147 /nfs/dbraw/zinc/93/81/47/480938147.db2.gz ZXUBYMQZEMEAMC-SFHVURJKSA-N 1 3 346.519 2.797 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)C ZINC000639092588 480948043 /nfs/dbraw/zinc/94/80/43/480948043.db2.gz XLUQRXHLTAYIFO-XLIONFOSSA-N 1 3 347.547 2.811 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1)N(C)C ZINC000639092588 480948046 /nfs/dbraw/zinc/94/80/46/480948046.db2.gz XLUQRXHLTAYIFO-XLIONFOSSA-N 1 3 347.547 2.811 20 0 EFADHO CCCN(Cc1ccc(OCCN2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000647492623 480962833 /nfs/dbraw/zinc/96/28/33/480962833.db2.gz OHWCZELPLWITKB-IBGZPJMESA-N 1 3 331.504 2.735 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118666 480963196 /nfs/dbraw/zinc/96/31/96/480963196.db2.gz POEBAQRASXOWKV-XRXFAXGQSA-N 1 3 344.499 2.825 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118666 480963199 /nfs/dbraw/zinc/96/31/99/480963199.db2.gz POEBAQRASXOWKV-XRXFAXGQSA-N 1 3 344.499 2.825 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[NH2+]CC23CCCCC3)cc1 ZINC000647500350 480968250 /nfs/dbraw/zinc/96/82/50/480968250.db2.gz CPHFNEZHJCDNSP-UHFFFAOYSA-N 1 3 331.504 2.735 20 0 EFADHO Nc1ncc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000647532564 480985127 /nfs/dbraw/zinc/98/51/27/480985127.db2.gz DDGGQWMLAQLMIN-DOTOQJQBSA-N 1 3 330.501 2.897 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1OC ZINC000647542917 480989351 /nfs/dbraw/zinc/98/93/51/480989351.db2.gz DROFDHCRUMJUGY-DLBZAZTESA-N 1 3 348.487 2.924 20 0 EFADHO [NH3+]CCCN(Cc1ccc(C(=O)NC2CC2)cc1)CC1CCCC1 ZINC000647541391 480989880 /nfs/dbraw/zinc/98/98/80/480989880.db2.gz KKWMWDZWNOUACI-UHFFFAOYSA-N 1 3 329.488 2.920 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCO2 ZINC000647542749 480990844 /nfs/dbraw/zinc/99/08/44/480990844.db2.gz BKEDKSJMDPYRIW-CABCVRRESA-N 1 3 332.444 2.636 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)O[C@H](C)C2 ZINC000647546190 480995171 /nfs/dbraw/zinc/99/51/71/480995171.db2.gz DETLIURFGXYUEI-PMPSAXMXSA-N 1 3 330.472 2.840 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666660503 481017673 /nfs/dbraw/zinc/01/76/73/481017673.db2.gz OMIIUTBRRQHCPB-AEFFLSMTSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666660503 481017678 /nfs/dbraw/zinc/01/76/78/481017678.db2.gz OMIIUTBRRQHCPB-AEFFLSMTSA-N 1 3 336.524 2.518 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663235 481020838 /nfs/dbraw/zinc/02/08/38/481020838.db2.gz LIYNWSOTEYYBBA-QRQLOZEOSA-N 1 3 348.535 2.662 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663235 481020854 /nfs/dbraw/zinc/02/08/54/481020854.db2.gz LIYNWSOTEYYBBA-QRQLOZEOSA-N 1 3 348.535 2.662 20 0 EFADHO c1ccc([C@H]2C[C@H](NCCN3CCCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639176381 481020936 /nfs/dbraw/zinc/02/09/36/481020936.db2.gz WMANDLHVBQIFFL-TZIWHRDSSA-N 1 3 343.515 2.666 20 0 EFADHO c1ccc([C@H]2C[C@H](NCCN3CCCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639176381 481020942 /nfs/dbraw/zinc/02/09/42/481020942.db2.gz WMANDLHVBQIFFL-TZIWHRDSSA-N 1 3 343.515 2.666 20 0 EFADHO C[C@@H](CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[NH+](C)C ZINC000664110233 481026740 /nfs/dbraw/zinc/02/67/40/481026740.db2.gz UUVGIJJERKPDSZ-HOTGVXAUSA-N 1 3 334.508 2.755 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000664110240 481026871 /nfs/dbraw/zinc/02/68/71/481026871.db2.gz UUVGIJJERKPDSZ-JKSUJKDBSA-N 1 3 334.508 2.755 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000641717579 481029534 /nfs/dbraw/zinc/02/95/34/481029534.db2.gz MBMPSEFUPNERRG-UHFFFAOYSA-N 1 3 345.318 2.693 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000641717579 481029543 /nfs/dbraw/zinc/02/95/43/481029543.db2.gz MBMPSEFUPNERRG-UHFFFAOYSA-N 1 3 345.318 2.693 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000669279370 481030227 /nfs/dbraw/zinc/03/02/27/481030227.db2.gz CMNGSCKFLNJWBF-HOTGVXAUSA-N 1 3 338.521 2.572 20 0 EFADHO C[C@@H](CN1CCCC[C@@H]1[C@H](C)CO)C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661447865 481031793 /nfs/dbraw/zinc/03/17/93/481031793.db2.gz ZPEOVLYRTWYRBV-LTFPLMDUSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCCC[C@@H]1[C@H](C)CO)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661447865 481031796 /nfs/dbraw/zinc/03/17/96/481031796.db2.gz ZPEOVLYRTWYRBV-LTFPLMDUSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCCC[C@H]1[C@H](C)CO)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447865 481031804 /nfs/dbraw/zinc/03/18/04/481031804.db2.gz ZPEOVLYRTWYRBV-LTFPLMDUSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCCC[C@H]1[C@H](C)CO)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447865 481031807 /nfs/dbraw/zinc/03/18/07/481031807.db2.gz ZPEOVLYRTWYRBV-LTFPLMDUSA-N 1 3 340.552 2.588 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000669279433 481032109 /nfs/dbraw/zinc/03/21/09/481032109.db2.gz IYCVBQSTMVVUNY-CVEARBPZSA-N 1 3 338.521 2.572 20 0 EFADHO O=c1[nH]c2ccc(C[NH2+]CC3CCN(c4ccncc4)CC3)cc2[nH]1 ZINC000641746311 481046575 /nfs/dbraw/zinc/04/65/75/481046575.db2.gz SSKSMPZLZSGYHU-UHFFFAOYSA-N 1 3 337.427 2.670 20 0 EFADHO C[C@H](CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000664145001 481048839 /nfs/dbraw/zinc/04/88/39/481048839.db2.gz DPDPZXFNDUHEFP-IAGOWNOFSA-N 1 3 346.519 2.851 20 0 EFADHO CC(CN1CCC[C@H](C)[C@@H]1CCO)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500711 481074969 /nfs/dbraw/zinc/07/49/69/481074969.db2.gz UGVDDOFLYJCGES-MUGJNUQGSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CCC[C@H](C)[C@@H]1CCO)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500711 481074974 /nfs/dbraw/zinc/07/49/74/481074974.db2.gz UGVDDOFLYJCGES-MUGJNUQGSA-N 1 3 340.552 2.588 20 0 EFADHO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](O)CN1CCCC1 ZINC000641789257 481078619 /nfs/dbraw/zinc/07/86/19/481078619.db2.gz MQIRCJLNNUCLOB-UKRRQHHQSA-N 1 3 341.293 2.865 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653116594 481090461 /nfs/dbraw/zinc/09/04/61/481090461.db2.gz MOLRSTLPBFUIPU-BHIYHBOVSA-N 1 3 329.488 2.545 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000646106463 481095221 /nfs/dbraw/zinc/09/52/21/481095221.db2.gz ZKXIDUADFABNQO-TZIWHRDSSA-N 1 3 349.478 2.606 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000646106463 481095225 /nfs/dbraw/zinc/09/52/25/481095225.db2.gz ZKXIDUADFABNQO-TZIWHRDSSA-N 1 3 349.478 2.606 20 0 EFADHO CC1CCN([C@H](CNC(=O)NCC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000669402637 481097174 /nfs/dbraw/zinc/09/71/74/481097174.db2.gz WDBVRXYONAIOFA-LJQANCHMSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)NCc2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000669402841 481097620 /nfs/dbraw/zinc/09/76/20/481097620.db2.gz LFUHORAWIHAYTG-MGPUTAFESA-N 1 3 344.503 2.600 20 0 EFADHO C[C@H]1CCC[C@](CNC(=O)NCc2ccc3c(c2)CNC3)([NH+](C)C)C1 ZINC000669402843 481097793 /nfs/dbraw/zinc/09/77/93/481097793.db2.gz LFUHORAWIHAYTG-YWZLYKJASA-N 1 3 344.503 2.600 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(C)C ZINC000646129510 481106012 /nfs/dbraw/zinc/10/60/12/481106012.db2.gz KZLPPKCQXANAKZ-RBUKOAKNSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(C)C ZINC000646129510 481106019 /nfs/dbraw/zinc/10/60/19/481106019.db2.gz KZLPPKCQXANAKZ-RBUKOAKNSA-N 1 3 331.504 2.730 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647790245 481107709 /nfs/dbraw/zinc/10/77/09/481107709.db2.gz VBXDUXQTXNOTNF-SFHLNBCPSA-N 1 3 342.531 2.624 20 0 EFADHO c1ccc(-n2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c3c2CCC3)cc1 ZINC000647791836 481107960 /nfs/dbraw/zinc/10/79/60/481107960.db2.gz OCBNJQGYGAGXGN-BRWVUGGUSA-N 1 3 336.483 2.839 20 0 EFADHO c1ccc(-n2nc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c3c2CCC3)cc1 ZINC000647791838 481108026 /nfs/dbraw/zinc/10/80/26/481108026.db2.gz OCBNJQGYGAGXGN-IXDOHACOSA-N 1 3 336.483 2.839 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cn1 ZINC000647795052 481109568 /nfs/dbraw/zinc/10/95/68/481109568.db2.gz IPQYWDXDGXKKQT-OHDICMOHSA-N 1 3 328.435 2.626 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420860 481109767 /nfs/dbraw/zinc/10/97/67/481109767.db2.gz YGQXQAYSAIRIBE-IEBWSBKVSA-N 1 3 346.519 2.715 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000641834407 481110193 /nfs/dbraw/zinc/11/01/93/481110193.db2.gz ACGOUJSYIZQKDU-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO FC(F)(F)COc1cnccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796626 481112494 /nfs/dbraw/zinc/11/24/94/481112494.db2.gz GWQOAXZMCMRHMD-MRVWCRGKSA-N 1 3 329.366 2.500 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C(C[C@H]2CCCO2)C(F)(F)F)C1 ZINC000653165110 481120689 /nfs/dbraw/zinc/12/06/89/481120689.db2.gz PIXBSMZKEHJANK-MGPQQGTHSA-N 1 3 342.361 2.651 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000641906772 481124490 /nfs/dbraw/zinc/12/44/90/481124490.db2.gz NTGFPNSSVRKLCQ-GOSISDBHSA-N 1 3 346.519 2.730 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639340200 481137984 /nfs/dbraw/zinc/13/79/84/481137984.db2.gz ICPJKRHTFQWBLG-NSHGMRRFSA-N 1 3 327.472 2.565 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639340200 481137990 /nfs/dbraw/zinc/13/79/90/481137990.db2.gz ICPJKRHTFQWBLG-NSHGMRRFSA-N 1 3 327.472 2.565 20 0 EFADHO CCCCCN(CCNC(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000653200608 481146076 /nfs/dbraw/zinc/14/60/76/481146076.db2.gz KKJSXDMSNPLJHI-UHFFFAOYSA-N 1 3 331.504 2.795 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000669479674 481146886 /nfs/dbraw/zinc/14/68/86/481146886.db2.gz FPWRDOKSBPBRMV-RDJZCZTQSA-N 1 3 332.492 2.557 20 0 EFADHO CCCCCN(CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2)Cc1ccccc1 ZINC000653200665 481147133 /nfs/dbraw/zinc/14/71/33/481147133.db2.gz LQTYCPSZRSEFTC-CTNGQTDRSA-N 1 3 343.515 2.795 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483692 481151032 /nfs/dbraw/zinc/15/10/32/481151032.db2.gz IFEREKZQVYZVDC-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCCNCC2)CC1 ZINC000666857826 481151877 /nfs/dbraw/zinc/15/18/77/481151877.db2.gz KRZDRZANFKRPIB-AWEZNQCLSA-N 1 3 335.879 2.676 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2NCC2(C)C)c1 ZINC000646195393 481152681 /nfs/dbraw/zinc/15/26/81/481152681.db2.gz ZGPKIOTUIBAQDB-GOSISDBHSA-N 1 3 331.504 2.923 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2NCC2(C)C)c1 ZINC000646195393 481152686 /nfs/dbraw/zinc/15/26/86/481152686.db2.gz ZGPKIOTUIBAQDB-GOSISDBHSA-N 1 3 331.504 2.923 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669484026 481152650 /nfs/dbraw/zinc/15/26/50/481152650.db2.gz ZDDHLKIPXAIONT-QXAKKESOSA-N 1 3 344.503 2.592 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000669483754 481153068 /nfs/dbraw/zinc/15/30/68/481153068.db2.gz LEZXSEGHZRKLAH-MOPGFXCFSA-N 1 3 344.503 2.655 20 0 EFADHO CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)C[C@H]1CC[NH2+]C1 ZINC000647881237 481153887 /nfs/dbraw/zinc/15/38/87/481153887.db2.gz YASXYKNUWYQKHD-HNNXBMFYSA-N 1 3 330.451 2.700 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669487052 481154398 /nfs/dbraw/zinc/15/43/98/481154398.db2.gz CFHZDKOGMVXKND-LPHOPBHVSA-N 1 3 344.503 2.653 20 0 EFADHO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647882825 481155834 /nfs/dbraw/zinc/15/58/34/481155834.db2.gz CFMXCYKPBVUGPW-GOSISDBHSA-N 1 3 348.466 2.801 20 0 EFADHO O=C1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)CC[C@H]2N1 ZINC000661598926 481156610 /nfs/dbraw/zinc/15/66/10/481156610.db2.gz YKHFYIWCEJJBRJ-WOJBJXKFSA-N 1 3 341.499 2.773 20 0 EFADHO C[C@@H](C(=O)NCCC1(C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000653220946 481157522 /nfs/dbraw/zinc/15/75/22/481157522.db2.gz AHBOVYWNWAQYBU-KRWDZBQOSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H](C(=O)NCCC1(C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000653220947 481157661 /nfs/dbraw/zinc/15/76/61/481157661.db2.gz AHBOVYWNWAQYBU-QGZVFWFLSA-N 1 3 343.515 2.575 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000669490640 481158323 /nfs/dbraw/zinc/15/83/23/481158323.db2.gz RMDMPIUKIGQXJP-BEFAXECRSA-N 1 3 346.519 2.839 20 0 EFADHO CNCc1ccccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659020022 481165849 /nfs/dbraw/zinc/16/58/49/481165849.db2.gz RMQSMZSNZOHSOR-UHFFFAOYSA-N 1 3 330.476 2.650 20 0 EFADHO C[C@@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000664320966 481175455 /nfs/dbraw/zinc/17/54/55/481175455.db2.gz AXTHUVDYUARJAE-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO CC1(C)CN[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253615 481181397 /nfs/dbraw/zinc/18/13/97/481181397.db2.gz ZDCNMUCAKRYTQR-MRXNPFEDSA-N 1 3 333.501 2.811 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000669528887 481183086 /nfs/dbraw/zinc/18/30/86/481183086.db2.gz PMNFGOVPHCYJJY-WMZOPIPTSA-N 1 3 344.503 2.610 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cc1=O ZINC000647933779 481192952 /nfs/dbraw/zinc/19/29/52/481192952.db2.gz LYVYLEBYRCOEIU-WOJBJXKFSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)cc1=O ZINC000647933779 481192960 /nfs/dbraw/zinc/19/29/60/481192960.db2.gz LYVYLEBYRCOEIU-WOJBJXKFSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1=O ZINC000647933779 481192964 /nfs/dbraw/zinc/19/29/64/481192964.db2.gz LYVYLEBYRCOEIU-WOJBJXKFSA-N 1 3 339.483 2.557 20 0 EFADHO CN(CCN1CCCCC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000653274517 481197961 /nfs/dbraw/zinc/19/79/61/481197961.db2.gz HUHIFCQWEFCKFK-UHFFFAOYSA-N 1 3 342.487 2.548 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000646279093 481200760 /nfs/dbraw/zinc/20/07/60/481200760.db2.gz XHVNTAXWUYUEJD-IBGZPJMESA-N 1 3 341.455 2.698 20 0 EFADHO CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646278501 481201227 /nfs/dbraw/zinc/20/12/27/481201227.db2.gz ARMIEZNOYVMWCZ-QGZVFWFLSA-N 1 3 335.492 2.980 20 0 EFADHO Cn1c(CN[C@@H]2CC23CC[NH2+]CC3)nc2cc(C(F)(F)F)ccc21 ZINC000666952269 481216713 /nfs/dbraw/zinc/21/67/13/481216713.db2.gz NOMFZWSYEASOQA-CQSZACIVSA-N 1 3 338.377 2.824 20 0 EFADHO Brc1cc2c(c(CN[C@@H]3CC34CC[NH2+]CC4)c1)OCC2 ZINC000666954359 481217127 /nfs/dbraw/zinc/21/71/27/481217127.db2.gz VGFHDXBXCWKBQO-CQSZACIVSA-N 1 3 337.261 2.616 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCC[C@@H]3O)CC2)C[C@@H](C)O1 ZINC000647966224 481218006 /nfs/dbraw/zinc/21/80/06/481218006.db2.gz GSWNHDIBVFXXFP-JYBIWHBTSA-N 1 3 338.536 2.749 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000647964618 481219334 /nfs/dbraw/zinc/21/93/34/481219334.db2.gz QVWVZNHOEVMJOS-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000647964618 481219341 /nfs/dbraw/zinc/21/93/41/481219341.db2.gz QVWVZNHOEVMJOS-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000647964618 481219354 /nfs/dbraw/zinc/21/93/54/481219354.db2.gz QVWVZNHOEVMJOS-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCCC1 ZINC000647975051 481225648 /nfs/dbraw/zinc/22/56/48/481225648.db2.gz JKGCDUQRUDURRL-QZTJIDSGSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC[C@@H]1[NH3+] ZINC000669583454 481225687 /nfs/dbraw/zinc/22/56/87/481225687.db2.gz CZIRTJYHQHGWHQ-ZAWLATJESA-N 1 3 346.519 2.755 20 0 EFADHO CCN(C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974933 481226004 /nfs/dbraw/zinc/22/60/04/481226004.db2.gz CDFDDZQROZAGBQ-ZWKOTPCHSA-N 1 3 329.488 2.751 20 0 EFADHO CC1CCC(N(C)C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975544 481227113 /nfs/dbraw/zinc/22/71/13/481227113.db2.gz BQLFCJSXVYDYRJ-IAFLDTSXSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975649 481227305 /nfs/dbraw/zinc/22/73/05/481227305.db2.gz DCFVKXIOVQRYEB-CKGODYTQSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647975412 481227945 /nfs/dbraw/zinc/22/79/45/481227945.db2.gz AACFJVLUEDEIHZ-ARFHVFGLSA-N 1 3 335.517 2.637 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975777 481228425 /nfs/dbraw/zinc/22/84/25/481228425.db2.gz FTWXZDHZBOPPNJ-JFIYKMOQSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000669587516 481228341 /nfs/dbraw/zinc/22/83/41/481228341.db2.gz RJCCJJGWVWAYJQ-WMZOPIPTSA-N 1 3 344.503 2.610 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976045 481230426 /nfs/dbraw/zinc/23/04/26/481230426.db2.gz JGPRNFVKAHLERE-LFDJNIOPSA-N 1 3 335.536 2.781 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976575 481230594 /nfs/dbraw/zinc/23/05/94/481230594.db2.gz QILONNZZCDISDQ-BBWFWOEESA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000647976601 481230766 /nfs/dbraw/zinc/23/07/66/481230766.db2.gz QRLXIWMIDWKFRT-SZMVWBNQSA-N 1 3 347.478 2.715 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976352 481231643 /nfs/dbraw/zinc/23/16/43/481231643.db2.gz NHXKKSHQIIGFPR-YZGWKJHDSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976196 481231828 /nfs/dbraw/zinc/23/18/28/481231828.db2.gz LHOKLYRYHDJNHF-YSIASYRMSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976468 481232062 /nfs/dbraw/zinc/23/20/62/481232062.db2.gz OVPTYXIMBIMVOW-ZWJWXYIHSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977093 481232352 /nfs/dbraw/zinc/23/23/52/481232352.db2.gz XTXLLIFTBSFTAM-NEWSRXKRSA-N 1 3 341.499 2.676 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)on2)cnn1C ZINC000647978587 481233440 /nfs/dbraw/zinc/23/34/40/481233440.db2.gz VBKRWDYSWZRJSV-JKSUJKDBSA-N 1 3 343.475 2.595 20 0 EFADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978139 481234299 /nfs/dbraw/zinc/23/42/99/481234299.db2.gz NCDZDARKKOFMGE-RTBURBONSA-N 1 3 335.536 2.737 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000647977420 481234326 /nfs/dbraw/zinc/23/43/26/481234326.db2.gz AZXIALRWTOAWTO-RBUKOAKNSA-N 1 3 335.536 2.785 20 0 EFADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978138 481235109 /nfs/dbraw/zinc/23/51/09/481235109.db2.gz NCDZDARKKOFMGE-RBUKOAKNSA-N 1 3 335.536 2.737 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995565 481244167 /nfs/dbraw/zinc/24/41/67/481244167.db2.gz SDQBSZMEIPHIPM-GDBMZVCRSA-N 1 3 331.460 2.677 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)c1 ZINC000666995565 481244173 /nfs/dbraw/zinc/24/41/73/481244173.db2.gz SDQBSZMEIPHIPM-GDBMZVCRSA-N 1 3 331.460 2.677 20 0 EFADHO O=C(NCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000667026799 481263813 /nfs/dbraw/zinc/26/38/13/481263813.db2.gz AOEUQDNAXRHJEN-OIISXLGYSA-N 1 3 335.879 2.580 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)C1 ZINC000650706403 481276521 /nfs/dbraw/zinc/27/65/21/481276521.db2.gz JTTNBHYHIIKMKE-LMMKCTJWSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC000650706403 481276529 /nfs/dbraw/zinc/27/65/29/481276529.db2.gz JTTNBHYHIIKMKE-LMMKCTJWSA-N 1 3 340.471 2.795 20 0 EFADHO CCn1nc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c2ccccc21 ZINC000650707472 481278507 /nfs/dbraw/zinc/27/85/07/481278507.db2.gz GURGENAOVOBYFP-TWOQFEAHSA-N 1 3 342.487 2.775 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707516 481278774 /nfs/dbraw/zinc/27/87/74/481278774.db2.gz HQMFUBSRNCZFPY-YQVWRLOYSA-N 1 3 348.535 2.973 20 0 EFADHO COc1cc(C)c(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650707996 481279697 /nfs/dbraw/zinc/27/96/97/481279697.db2.gz RHLUGEAWTAQUQU-JQHSSLGASA-N 1 3 348.487 2.731 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646408849 481280751 /nfs/dbraw/zinc/28/07/51/481280751.db2.gz NSYAKBRQCKZJGY-OALUTQOASA-N 1 3 329.488 2.862 20 0 EFADHO C[C@@H]1CCCN(Cc2ccc(OCc3nccn3C)cc2)[C@@H]1CC[NH3+] ZINC000650711339 481281273 /nfs/dbraw/zinc/28/12/73/481281273.db2.gz QBBXUJMDHNQEPD-VQIMIIECSA-N 1 3 342.487 2.948 20 0 EFADHO C[C@H]1CCCN(Cc2ccc(OCc3nccn3C)cc2)[C@@H]1CC[NH3+] ZINC000650711338 481281462 /nfs/dbraw/zinc/28/14/62/481281462.db2.gz QBBXUJMDHNQEPD-QFBILLFUSA-N 1 3 342.487 2.948 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4cnccc4c3)CC2)C1 ZINC000667054169 481282138 /nfs/dbraw/zinc/28/21/38/481282138.db2.gz SDUHTOIGWDYSAK-UXHICEINSA-N 1 3 325.456 2.953 20 0 EFADHO CC(C)(C)CC(=O)N1CCC(NCc2ccc(C[NH3+])cc2F)CC1 ZINC000650717636 481285712 /nfs/dbraw/zinc/28/57/12/481285712.db2.gz HYLAWVJZUGGPFM-UHFFFAOYSA-N 1 3 335.467 2.801 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NCc1ccc(C[NH3+])cc1F ZINC000650717873 481286718 /nfs/dbraw/zinc/28/67/18/481286718.db2.gz POCYVEXSXFEJSU-MGPUTAFESA-N 1 3 327.447 2.895 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(F)c1)NCc1ccc(C[NH3+])cc1F ZINC000650717968 481286953 /nfs/dbraw/zinc/28/69/53/481286953.db2.gz SLHNGHNMWWSNNS-LBPRGKRZSA-N 1 3 333.382 2.930 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000643083052 481309210 /nfs/dbraw/zinc/30/92/10/481309210.db2.gz MFWDJASKRQKPHL-UYAOXDASSA-N 1 3 332.488 2.901 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000643080894 481309538 /nfs/dbraw/zinc/30/95/38/481309538.db2.gz DEHMHTLABCXTCY-UXHICEINSA-N 1 3 332.488 2.901 20 0 EFADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000637106686 481317010 /nfs/dbraw/zinc/31/70/10/481317010.db2.gz AFYVHEOEXNQPHE-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2noc3ccccc32)C1 ZINC000653563604 481330873 /nfs/dbraw/zinc/33/08/73/481330873.db2.gz VFGKHPUGOPHTPN-MRXNPFEDSA-N 1 3 331.460 2.803 20 0 EFADHO NC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC2(CCC2)C1 ZINC000659288204 481337525 /nfs/dbraw/zinc/33/75/25/481337525.db2.gz DOOCQQLMVFTXSX-UHFFFAOYSA-N 1 3 327.472 2.925 20 0 EFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659288482 481338983 /nfs/dbraw/zinc/33/89/83/481338983.db2.gz YIKLFLPDGKIUHL-LMMKCTJWSA-N 1 3 327.472 2.696 20 0 EFADHO C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318497 481359616 /nfs/dbraw/zinc/35/96/16/481359616.db2.gz CYVIRDIQBLRFQU-SJLPKXTDSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H](NC(=O)C1(N)CC2(CCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659318497 481359628 /nfs/dbraw/zinc/35/96/28/481359628.db2.gz CYVIRDIQBLRFQU-SJLPKXTDSA-N 1 3 341.499 2.675 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659320080 481361756 /nfs/dbraw/zinc/36/17/56/481361756.db2.gz YZHVUILJVDXWKI-KXBFYZLASA-N 1 3 343.515 2.868 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H]3CCN(CC4CC4)C3)ccc21 ZINC000653618198 481366300 /nfs/dbraw/zinc/36/63/00/481366300.db2.gz PHROYXQDCFAXQX-PKOBYXMFSA-N 1 3 342.487 2.841 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000643260540 481372492 /nfs/dbraw/zinc/37/24/92/481372492.db2.gz BRUQSAAODGGGGI-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000661859533 481374729 /nfs/dbraw/zinc/37/47/29/481374729.db2.gz ZYJMLYONAOEBON-IEBWSBKVSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000661859533 481374737 /nfs/dbraw/zinc/37/47/37/481374737.db2.gz ZYJMLYONAOEBON-IEBWSBKVSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000646569451 481383510 /nfs/dbraw/zinc/38/35/10/481383510.db2.gz CXOCYODJQYPJOD-IAGOWNOFSA-N 1 3 345.487 2.503 20 0 EFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC000646568023 481383980 /nfs/dbraw/zinc/38/39/80/481383980.db2.gz PXQLMHYZDPRIQW-INIZCTEOSA-N 1 3 345.487 2.503 20 0 EFADHO O[C@@]1(CN2CC[C@H](c3ccncc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639645287 481394168 /nfs/dbraw/zinc/39/41/68/481394168.db2.gz GOCRMUCFVMJSOI-LEWJYISDSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@@]1(CN2CC[C@H](c3ccncc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639645287 481394171 /nfs/dbraw/zinc/39/41/71/481394171.db2.gz GOCRMUCFVMJSOI-LEWJYISDSA-N 1 3 337.467 2.508 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661899587 481402213 /nfs/dbraw/zinc/40/22/13/481402213.db2.gz YCEDXZRRAZWXPC-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC(=O)N(C)C1 ZINC000653699816 481415355 /nfs/dbraw/zinc/41/53/55/481415355.db2.gz QWPDLUUIMXJGFX-IBGZPJMESA-N 1 3 329.488 2.725 20 0 EFADHO C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)[C@H](C[NH3+])C1 ZINC000659422942 481426572 /nfs/dbraw/zinc/42/65/72/481426572.db2.gz GWHDCBGJPWWHEU-NZSAHSFTSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659456631 481447927 /nfs/dbraw/zinc/44/79/27/481447927.db2.gz PRRIGQIDQHYNBP-OAHLLOKOSA-N 1 3 332.492 2.591 20 0 EFADHO C[C@H](C[C@H]1COCCN1)[NH2+][C@@H](CN1CCCCC1)c1ccccc1 ZINC000643451851 481474485 /nfs/dbraw/zinc/47/44/85/481474485.db2.gz KMTGXIYJHFGPDR-HOJAQTOUSA-N 1 3 331.504 2.570 20 0 EFADHO Cc1csc(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000643460733 481478431 /nfs/dbraw/zinc/47/84/31/481478431.db2.gz MUDQAFDLAWHGGT-YJBOKZPZSA-N 1 3 329.469 2.840 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000643463848 481478608 /nfs/dbraw/zinc/47/86/08/481478608.db2.gz XEBFBIJOVKGYOC-DYEKYZERSA-N 1 3 347.286 2.711 20 0 EFADHO CCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000637366494 481483393 /nfs/dbraw/zinc/48/33/93/481483393.db2.gz CLXHIVFPDYVGBV-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000637366494 481483399 /nfs/dbraw/zinc/48/33/99/481483399.db2.gz CLXHIVFPDYVGBV-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528742 481483947 /nfs/dbraw/zinc/48/39/47/481483947.db2.gz XAIZTPOTFCQROA-RBUKOAKNSA-N 1 3 340.471 2.623 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528742 481483958 /nfs/dbraw/zinc/48/39/58/481483958.db2.gz XAIZTPOTFCQROA-RBUKOAKNSA-N 1 3 340.471 2.623 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@H](C)C[C@H]3CCCCC[NH2+]3)C2)ncn1 ZINC000643474324 481484339 /nfs/dbraw/zinc/48/43/39/481484339.db2.gz AVVAWWPLDGSURP-QRQLOZEOSA-N 1 3 345.535 2.908 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368892 481486406 /nfs/dbraw/zinc/48/64/06/481486406.db2.gz TZTFZEVXIKTHIS-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368892 481486413 /nfs/dbraw/zinc/48/64/13/481486413.db2.gz TZTFZEVXIKTHIS-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637369534 481488603 /nfs/dbraw/zinc/48/86/03/481488603.db2.gz ZAWCAXMIAMFEPB-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637369534 481488610 /nfs/dbraw/zinc/48/86/10/481488610.db2.gz ZAWCAXMIAMFEPB-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369331 481488792 /nfs/dbraw/zinc/48/87/92/481488792.db2.gz YDWJEVHWDVXXLJ-QUCCMNQESA-N 1 3 348.535 2.521 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3CCN3C3CCCCC3)C2)C1 ZINC000637369331 481488798 /nfs/dbraw/zinc/48/87/98/481488798.db2.gz YDWJEVHWDVXXLJ-QUCCMNQESA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@@H+]1C ZINC000637373735 481490277 /nfs/dbraw/zinc/49/02/77/481490277.db2.gz RFAPFCKTLDVEPR-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCCC2)CC[N@H+]1C ZINC000637373735 481490281 /nfs/dbraw/zinc/49/02/81/481490281.db2.gz RFAPFCKTLDVEPR-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000643543767 481501477 /nfs/dbraw/zinc/50/14/77/481501477.db2.gz PSYRLKIODCFVNP-HNAYVOBHSA-N 1 3 336.443 2.793 20 0 EFADHO CCC[NH2+]CCNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000646883431 481531079 /nfs/dbraw/zinc/53/10/79/481531079.db2.gz JSIONDJAZBOBMQ-QGZVFWFLSA-N 1 3 347.503 2.669 20 0 EFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CCO1 ZINC000648426668 481538164 /nfs/dbraw/zinc/53/81/64/481538164.db2.gz MCSKESCZGGHCRU-RTWAWAEBSA-N 1 3 345.531 2.871 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(c2ccncc2)CC1 ZINC000648439706 481548129 /nfs/dbraw/zinc/54/81/29/481548129.db2.gz SEZKGOURAJOUNW-LJQANCHMSA-N 1 3 342.487 2.527 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CCN(c2ccncc2)CC1 ZINC000648439706 481548134 /nfs/dbraw/zinc/54/81/34/481548134.db2.gz SEZKGOURAJOUNW-LJQANCHMSA-N 1 3 342.487 2.527 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCN(c2ccncc2)CC1 ZINC000648439705 481548769 /nfs/dbraw/zinc/54/87/69/481548769.db2.gz SEZKGOURAJOUNW-IBGZPJMESA-N 1 3 342.487 2.527 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCN(c2ccncc2)CC1 ZINC000648439705 481548774 /nfs/dbraw/zinc/54/87/74/481548774.db2.gz SEZKGOURAJOUNW-IBGZPJMESA-N 1 3 342.487 2.527 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000637474839 481555369 /nfs/dbraw/zinc/55/53/69/481555369.db2.gz JJYPELOSGATZNK-IEBWSBKVSA-N 1 3 348.535 2.663 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637478273 481558111 /nfs/dbraw/zinc/55/81/11/481558111.db2.gz ZDNAITCQQZEFPM-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000637478273 481558119 /nfs/dbraw/zinc/55/81/19/481558119.db2.gz ZDNAITCQQZEFPM-FUHWJXTLSA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C[C@H]1C ZINC000637478378 481559295 /nfs/dbraw/zinc/55/92/95/481559295.db2.gz ZWDVWWBYIQMSFQ-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCN2C2CCCC2)C[C@H]1C ZINC000637478378 481559297 /nfs/dbraw/zinc/55/92/97/481559297.db2.gz ZWDVWWBYIQMSFQ-NJAFHUGGSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000637504134 481573273 /nfs/dbraw/zinc/57/32/73/481573273.db2.gz UBLVDDPDYLROAV-INIZCTEOSA-N 1 3 334.508 2.803 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000637518648 481582929 /nfs/dbraw/zinc/58/29/29/481582929.db2.gz OVKRMFZVGWIXHC-OLMNPRSZSA-N 1 3 332.492 2.579 20 0 EFADHO C[C@@H]1CN(CCN2CCC(C[NH+]3CCCCCC3)CC2)C[C@@H](C)O1 ZINC000659837837 481588482 /nfs/dbraw/zinc/58/84/82/481588482.db2.gz IBFORZLLBUPUGH-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO CC[C@@H]1CN(C(=O)c2oc3ccccc3c2CN(C)C)CC[C@@H]1[NH3+] ZINC000647012200 481601550 /nfs/dbraw/zinc/60/15/50/481601550.db2.gz PWDQEYXGLLFBHH-CJNGLKHVSA-N 1 3 329.444 2.694 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973119 481675208 /nfs/dbraw/zinc/67/52/08/481675208.db2.gz MDUFQCWONYISMW-SFHLNBCPSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973119 481675213 /nfs/dbraw/zinc/67/52/13/481675213.db2.gz MDUFQCWONYISMW-SFHLNBCPSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973119 481675219 /nfs/dbraw/zinc/67/52/19/481675219.db2.gz MDUFQCWONYISMW-SFHLNBCPSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000659973119 481675225 /nfs/dbraw/zinc/67/52/25/481675225.db2.gz MDUFQCWONYISMW-SFHLNBCPSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973123 481675529 /nfs/dbraw/zinc/67/55/29/481675529.db2.gz MDUFQCWONYISMW-ZVDOUQERSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973123 481675535 /nfs/dbraw/zinc/67/55/35/481675535.db2.gz MDUFQCWONYISMW-ZVDOUQERSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973123 481675539 /nfs/dbraw/zinc/67/55/39/481675539.db2.gz MDUFQCWONYISMW-ZVDOUQERSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973123 481675546 /nfs/dbraw/zinc/67/55/46/481675546.db2.gz MDUFQCWONYISMW-ZVDOUQERSA-N 1 3 345.531 2.550 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(CCSc2ccc(F)cc2F)CC1 ZINC000662272739 481684506 /nfs/dbraw/zinc/68/45/06/481684506.db2.gz HUGBSSSCMIZKEL-WBVHZDCISA-N 1 3 342.455 2.885 20 0 EFADHO O=c1[nH]c(CCN2CCC([C@H]3CCC[NH2+]C3)CC2)nc2ccccc21 ZINC000662291547 481695491 /nfs/dbraw/zinc/69/54/91/481695491.db2.gz HYZLNZURTAODAR-INIZCTEOSA-N 1 3 340.471 2.590 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291274 481695851 /nfs/dbraw/zinc/69/58/51/481695851.db2.gz RBRRMPFFNCAIPO-SQGPQFPESA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291244 481696023 /nfs/dbraw/zinc/69/60/23/481696023.db2.gz QFHQUASJBSZMAA-BDFRZKONSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291247 481696100 /nfs/dbraw/zinc/69/61/00/481696100.db2.gz QFHQUASJBSZMAA-YDXUJSMASA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662294062 481697509 /nfs/dbraw/zinc/69/75/09/481697509.db2.gz ARGQOKDYRVUABI-GDBMZVCRSA-N 1 3 335.517 2.637 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293732 481697853 /nfs/dbraw/zinc/69/78/53/481697853.db2.gz IMEPEJLADFSQDW-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N(C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1)C1CCCC1 ZINC000662293320 481698269 /nfs/dbraw/zinc/69/82/69/481698269.db2.gz QJPZALNQSSJYEO-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295091 481700369 /nfs/dbraw/zinc/70/03/69/481700369.db2.gz STQGSEGJEFUVEW-YOEHRIQHSA-N 1 3 341.459 2.904 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(CC[C@@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012330 481701233 /nfs/dbraw/zinc/70/12/33/481701233.db2.gz SUYBXUZPGMOUIN-KYJSFNMBSA-N 1 3 345.512 2.906 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(CC[C@@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012330 481701240 /nfs/dbraw/zinc/70/12/40/481701240.db2.gz SUYBXUZPGMOUIN-KYJSFNMBSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC[C@@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012330 481701244 /nfs/dbraw/zinc/70/12/44/481701244.db2.gz SUYBXUZPGMOUIN-KYJSFNMBSA-N 1 3 345.512 2.906 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC[C@@H]3Sc4ccccc4NC3=O)CC[C@H]21 ZINC000660012330 481701248 /nfs/dbraw/zinc/70/12/48/481701248.db2.gz SUYBXUZPGMOUIN-KYJSFNMBSA-N 1 3 345.512 2.906 20 0 EFADHO CCN(C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662296202 481702289 /nfs/dbraw/zinc/70/22/89/481702289.db2.gz XQGSTPRCFNQAIA-SFHVURJKSA-N 1 3 329.488 2.751 20 0 EFADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296737 481703146 /nfs/dbraw/zinc/70/31/46/481703146.db2.gz MIKFIBGCZAEUKC-LPHOPBHVSA-N 1 3 341.499 2.676 20 0 EFADHO COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297851 481705718 /nfs/dbraw/zinc/70/57/18/481705718.db2.gz SKZNEMGMZWFQQY-WBVHZDCISA-N 1 3 345.487 2.734 20 0 EFADHO CC(C)N(CC(F)(F)F)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312730 481715665 /nfs/dbraw/zinc/71/56/65/481715665.db2.gz CNEIBEJRUIITBS-ZIAGYGMSSA-N 1 3 337.430 2.625 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000667658525 481716652 /nfs/dbraw/zinc/71/66/52/481716652.db2.gz ISQXFJDCILGTSU-DFQSSKMNSA-N 1 3 346.519 2.838 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CN2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000667671100 481725391 /nfs/dbraw/zinc/72/53/91/481725391.db2.gz HWGURFCOSAAKHP-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC000667671100 481725397 /nfs/dbraw/zinc/72/53/97/481725397.db2.gz HWGURFCOSAAKHP-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@H+]2CC[C@@H](CN3CCCCC3)C2)cn1 ZINC000667671100 481725404 /nfs/dbraw/zinc/72/54/04/481725404.db2.gz HWGURFCOSAAKHP-CMKODMSKSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667671109 481725556 /nfs/dbraw/zinc/72/55/56/481725556.db2.gz IFODLXLHVNTWQR-CEXWTWQISA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000667671109 481725564 /nfs/dbraw/zinc/72/55/64/481725564.db2.gz IFODLXLHVNTWQR-CEXWTWQISA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000667671109 481725569 /nfs/dbraw/zinc/72/55/69/481725569.db2.gz IFODLXLHVNTWQR-CEXWTWQISA-N 1 3 346.519 2.696 20 0 EFADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)nc1 ZINC000662327161 481729458 /nfs/dbraw/zinc/72/94/58/481729458.db2.gz LFXRFQGTOGZPAZ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1ccc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc1 ZINC000662327161 481729464 /nfs/dbraw/zinc/72/94/64/481729464.db2.gz LFXRFQGTOGZPAZ-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665233985 481736153 /nfs/dbraw/zinc/73/61/53/481736153.db2.gz VIHLIBGXHQNNIF-JKQORVJESA-N 1 3 337.895 2.508 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000662338314 481736646 /nfs/dbraw/zinc/73/66/46/481736646.db2.gz QGAVGZDMNDMYQT-KRWDZBQOSA-N 1 3 331.508 2.579 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000662338314 481736654 /nfs/dbraw/zinc/73/66/54/481736654.db2.gz QGAVGZDMNDMYQT-KRWDZBQOSA-N 1 3 331.508 2.579 20 0 EFADHO CC(=O)NCc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000665235164 481737448 /nfs/dbraw/zinc/73/74/48/481737448.db2.gz QPPBTVXXNSCKJG-RTWAWAEBSA-N 1 3 337.467 2.906 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640064513 481738569 /nfs/dbraw/zinc/73/85/69/481738569.db2.gz VBTCJFQVYAJSHP-OAHLLOKOSA-N 1 3 346.475 2.600 20 0 EFADHO C[C@@H]1CN(CCN(C)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000660075230 481741248 /nfs/dbraw/zinc/74/12/48/481741248.db2.gz YFWBBCQIHIZELA-RTBURBONSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000648792135 481744684 /nfs/dbraw/zinc/74/46/84/481744684.db2.gz UULIULMYDFGVKA-IZBJGVDFSA-N 1 3 343.515 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[N@H+]1C ZINC000648792135 481744693 /nfs/dbraw/zinc/74/46/93/481744693.db2.gz UULIULMYDFGVKA-IZBJGVDFSA-N 1 3 343.515 2.838 20 0 EFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1CNCCC1(F)F ZINC000644157607 481753408 /nfs/dbraw/zinc/75/34/08/481753408.db2.gz AVNAEOSISKJXFU-INIZCTEOSA-N 1 3 337.414 2.508 20 0 EFADHO COc1ccc(-c2cc(CN[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000665262320 481756532 /nfs/dbraw/zinc/75/65/32/481756532.db2.gz YOXLPOHRUMFJRE-BZUAXINKSA-N 1 3 327.428 2.828 20 0 EFADHO COc1ccc(-c2cc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)on2)cc1 ZINC000665262321 481756597 /nfs/dbraw/zinc/75/65/97/481756597.db2.gz YOXLPOHRUMFJRE-HRCADAONSA-N 1 3 327.428 2.828 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000667724122 481762864 /nfs/dbraw/zinc/76/28/64/481762864.db2.gz XQYKKSTYCMOSFW-MAUKXSAKSA-N 1 3 328.460 2.626 20 0 EFADHO NCc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000667724122 481762868 /nfs/dbraw/zinc/76/28/68/481762868.db2.gz XQYKKSTYCMOSFW-MAUKXSAKSA-N 1 3 328.460 2.626 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)CN1Cc1ccccc1 ZINC000667726217 481764770 /nfs/dbraw/zinc/76/47/70/481764770.db2.gz OEPAKXDGKOIEIJ-HNAYVOBHSA-N 1 3 338.455 2.930 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000667728330 481766393 /nfs/dbraw/zinc/76/63/93/481766393.db2.gz QVVXMCMBHNJFFZ-IBGZPJMESA-N 1 3 338.455 2.931 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000667732512 481770319 /nfs/dbraw/zinc/77/03/19/481770319.db2.gz KXNGHUUWSMTADB-UHFFFAOYSA-N 1 3 338.455 2.885 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662382570 481773659 /nfs/dbraw/zinc/77/36/59/481773659.db2.gz ZMJLEFMZIPMJIU-UHFFFAOYSA-N 1 3 349.478 2.946 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386845 481776336 /nfs/dbraw/zinc/77/63/36/481776336.db2.gz NYAOZUIVGXZGRY-IYBDPMFKSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cccc3c2CNC3)C1 ZINC000662386845 481776342 /nfs/dbraw/zinc/77/63/42/481776342.db2.gz NYAOZUIVGXZGRY-IYBDPMFKSA-N 1 3 329.488 2.778 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743228 481777445 /nfs/dbraw/zinc/77/74/45/481777445.db2.gz INZVWJQHGHDWQV-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743228 481777451 /nfs/dbraw/zinc/77/74/51/481777451.db2.gz INZVWJQHGHDWQV-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)C[C@@H]2NCc3ccccc32)([NH+](C)C)C1 ZINC000662401360 481785605 /nfs/dbraw/zinc/78/56/05/481785605.db2.gz SASOCUOJEBDPHF-MOXGXCLJSA-N 1 3 329.488 2.848 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000662403009 481786157 /nfs/dbraw/zinc/78/61/57/481786157.db2.gz RLLPSECJNCCUHU-AOIWGVFYSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662400790 481786943 /nfs/dbraw/zinc/78/69/43/481786943.db2.gz FBWWRFWZLHBYOG-UHFFFAOYSA-N 1 3 335.517 2.586 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc3c(s2)CCNC3)CC1 ZINC000662400790 481786953 /nfs/dbraw/zinc/78/69/53/481786953.db2.gz FBWWRFWZLHBYOG-UHFFFAOYSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662403334 481788563 /nfs/dbraw/zinc/78/85/63/481788563.db2.gz UXCCNYJQDSCWKN-GASCZTMLSA-N 1 3 329.488 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662403334 481788566 /nfs/dbraw/zinc/78/85/66/481788566.db2.gz UXCCNYJQDSCWKN-GASCZTMLSA-N 1 3 329.488 2.776 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648863807 481795286 /nfs/dbraw/zinc/79/52/86/481795286.db2.gz XYNQRCYFUBPXSA-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648863807 481795292 /nfs/dbraw/zinc/79/52/92/481795292.db2.gz XYNQRCYFUBPXSA-BHIYHBOVSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000637831196 481795809 /nfs/dbraw/zinc/79/58/09/481795809.db2.gz UUTIRGUUKDBUQU-GOSISDBHSA-N 1 3 329.488 2.802 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000667781659 481801655 /nfs/dbraw/zinc/80/16/55/481801655.db2.gz PICCVVDYUWEASB-SJLPKXTDSA-N 1 3 332.488 2.717 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000667781659 481801668 /nfs/dbraw/zinc/80/16/68/481801668.db2.gz PICCVVDYUWEASB-SJLPKXTDSA-N 1 3 332.488 2.717 20 0 EFADHO CC(C)(CNC(=O)N[C@H]1CCCN2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000654351358 481812320 /nfs/dbraw/zinc/81/23/20/481812320.db2.gz ZMRPALMJDPIEBR-DLBZAZTESA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662462897 481820113 /nfs/dbraw/zinc/82/01/13/481820113.db2.gz POCIXVNOSLFCEL-ZWKOTPCHSA-N 1 3 329.488 2.669 20 0 EFADHO CC[N@@H+]1CCC[C@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819897 481829587 /nfs/dbraw/zinc/82/95/87/481829587.db2.gz HPQGTONFJSUORL-IEBWSBKVSA-N 1 3 334.504 2.964 20 0 EFADHO CC[N@H+]1CCC[C@H](CN[C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819897 481829591 /nfs/dbraw/zinc/82/95/91/481829591.db2.gz HPQGTONFJSUORL-IEBWSBKVSA-N 1 3 334.504 2.964 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662479193 481830120 /nfs/dbraw/zinc/83/01/20/481830120.db2.gz ZWOHPFLWXHCYSL-VQIMIIECSA-N 1 3 327.472 2.555 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2c1CNC2 ZINC000662486331 481835652 /nfs/dbraw/zinc/83/56/52/481835652.db2.gz AJHNSVFYWKXEAP-UHFFFAOYSA-N 1 3 327.472 2.817 20 0 EFADHO C[C@@H](CCNC(=O)c1cccc2c1CNC2)[N@H+](C)Cc1ccccc1 ZINC000662488009 481836434 /nfs/dbraw/zinc/83/64/34/481836434.db2.gz WZCQOZBZFVVBAT-INIZCTEOSA-N 1 3 337.467 2.930 20 0 EFADHO C[C@@H](CCNC(=O)c1cccc2c1CNC2)[N@@H+](C)Cc1ccccc1 ZINC000662488009 481836440 /nfs/dbraw/zinc/83/64/40/481836440.db2.gz WZCQOZBZFVVBAT-INIZCTEOSA-N 1 3 337.467 2.930 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491234 481837388 /nfs/dbraw/zinc/83/73/88/481837388.db2.gz PYKAQIBVWGNTQS-IERDGZPVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491234 481837396 /nfs/dbraw/zinc/83/73/96/481837396.db2.gz PYKAQIBVWGNTQS-IERDGZPVSA-N 1 3 349.478 2.930 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCC4)C2)CC1 ZINC000644385625 481848263 /nfs/dbraw/zinc/84/82/63/481848263.db2.gz BGJFBCJIZPOBRT-HXUWFJFHSA-N 1 3 327.516 2.824 20 0 EFADHO NCc1cccnc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000667854985 481851982 /nfs/dbraw/zinc/85/19/82/481851982.db2.gz FCRWYCSFKJHESM-UHFFFAOYSA-N 1 3 345.491 2.660 20 0 EFADHO CC[NH+](CC)CCCC1CCN(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660244306 481852963 /nfs/dbraw/zinc/85/29/63/481852963.db2.gz PGMKAYRYCJCTLV-OALUTQOASA-N 1 3 339.568 2.930 20 0 EFADHO CC(C)[N@H+](C)C[C@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000660241342 481853406 /nfs/dbraw/zinc/85/34/06/481853406.db2.gz FUGLKZPJMVBBFT-WOJBJXKFSA-N 1 3 333.520 2.504 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000660241342 481853413 /nfs/dbraw/zinc/85/34/13/481853413.db2.gz FUGLKZPJMVBBFT-WOJBJXKFSA-N 1 3 333.520 2.504 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@H]12)C(C)(C)C ZINC000654446687 481876770 /nfs/dbraw/zinc/87/67/70/481876770.db2.gz RZEIAGBXLZUETL-BBWFWOEESA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654451415 481878939 /nfs/dbraw/zinc/87/89/39/481878939.db2.gz VBXDHCQJPYVOKN-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654451415 481878934 /nfs/dbraw/zinc/87/89/34/481878934.db2.gz VBXDHCQJPYVOKN-FGTMMUONSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000649000957 481881238 /nfs/dbraw/zinc/88/12/38/481881238.db2.gz GMIPNOZEFVLCHX-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000649000957 481881245 /nfs/dbraw/zinc/88/12/45/481881245.db2.gz GMIPNOZEFVLCHX-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000662587506 481888947 /nfs/dbraw/zinc/88/89/47/481888947.db2.gz GHWVPKBUYWDLQM-OALUTQOASA-N 1 3 343.515 2.951 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654474580 481892228 /nfs/dbraw/zinc/89/22/28/481892228.db2.gz RBANVPUYPTWZTK-MOPGFXCFSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654474583 481892494 /nfs/dbraw/zinc/89/24/94/481892494.db2.gz RBANVPUYPTWZTK-RBUKOAKNSA-N 1 3 348.535 2.710 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662595487 481892654 /nfs/dbraw/zinc/89/26/54/481892654.db2.gz BPUOMRUFRYDNAT-LJQANCHMSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662595817 481893237 /nfs/dbraw/zinc/89/32/37/481893237.db2.gz GNEOQCZLDXSAFJ-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2cnnn2-c2ccccc2)C1 ZINC000651678072 481901626 /nfs/dbraw/zinc/90/16/26/481901626.db2.gz ASSCDSPVUURVDC-KRWDZBQOSA-N 1 3 327.476 2.869 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnnn2-c2ccccc2)C1 ZINC000651678072 481901629 /nfs/dbraw/zinc/90/16/29/481901629.db2.gz ASSCDSPVUURVDC-KRWDZBQOSA-N 1 3 327.476 2.869 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000654527670 481917922 /nfs/dbraw/zinc/91/79/22/481917922.db2.gz BORIWBDTFFCEGD-KURKYZTESA-N 1 3 336.524 2.567 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2c1CCNC2)CC(C)C ZINC000662672931 481927257 /nfs/dbraw/zinc/92/72/57/481927257.db2.gz HTTVFDHHBZVJTH-QGZVFWFLSA-N 1 3 331.504 2.819 20 0 EFADHO O=C([C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](N2CCCC2)C1 ZINC000668008108 481929701 /nfs/dbraw/zinc/92/97/01/481929701.db2.gz NANNRIPJEPELPJ-UXHICEINSA-N 1 3 341.499 2.563 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000662679995 481929996 /nfs/dbraw/zinc/92/99/96/481929996.db2.gz RDNXPVQIKJABIX-RTBURBONSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc2c1CCNC2 ZINC000662683103 481931900 /nfs/dbraw/zinc/93/19/00/481931900.db2.gz NMGLBNXSWYNUFE-INIZCTEOSA-N 1 3 329.488 2.717 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1CCNC2 ZINC000662683103 481931903 /nfs/dbraw/zinc/93/19/03/481931903.db2.gz NMGLBNXSWYNUFE-INIZCTEOSA-N 1 3 329.488 2.717 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699276 481939541 /nfs/dbraw/zinc/93/95/41/481939541.db2.gz ZGOPGHOHAQDAEE-SJORKVTESA-N 1 3 333.520 2.761 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699276 481939548 /nfs/dbraw/zinc/93/95/48/481939548.db2.gz ZGOPGHOHAQDAEE-SJORKVTESA-N 1 3 333.520 2.761 20 0 EFADHO CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662700409 481941451 /nfs/dbraw/zinc/94/14/51/481941451.db2.gz HKIGFICBHXJZIS-KRWDZBQOSA-N 1 3 347.528 2.605 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)ccc1OCCN1CCCC1 ZINC000662739567 481954320 /nfs/dbraw/zinc/95/43/20/481954320.db2.gz NTRWAHCEOPTIAR-SFHVURJKSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)ccc1OCCN1CCCC1 ZINC000662739564 481955027 /nfs/dbraw/zinc/95/50/27/481955027.db2.gz NTRWAHCEOPTIAR-GOSISDBHSA-N 1 3 345.487 2.796 20 0 EFADHO C[C@H](CCNC(=O)C1(NC2CC2)CCC1)[N@H+](C)Cc1ccccc1 ZINC000662753215 481960533 /nfs/dbraw/zinc/96/05/33/481960533.db2.gz WZNKNJRBTUCLIV-MRXNPFEDSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@H](CCNC(=O)C1(NC2CC2)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000662753215 481960540 /nfs/dbraw/zinc/96/05/40/481960540.db2.gz WZNKNJRBTUCLIV-MRXNPFEDSA-N 1 3 329.488 2.688 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc2c1CCNC2 ZINC000662788666 481969500 /nfs/dbraw/zinc/96/95/00/481969500.db2.gz QGXWUEPOGLTKEZ-UHFFFAOYSA-N 1 3 329.488 2.669 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc2c1CCNC2 ZINC000662788666 481969506 /nfs/dbraw/zinc/96/95/06/481969506.db2.gz QGXWUEPOGLTKEZ-UHFFFAOYSA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@H]([NH2+]C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000662792560 481970867 /nfs/dbraw/zinc/97/08/67/481970867.db2.gz WLGXFBFATQAQPT-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095462 481975542 /nfs/dbraw/zinc/97/55/42/481975542.db2.gz JUTLPSQTFBIDIM-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C1CC1 ZINC000668095462 481975548 /nfs/dbraw/zinc/97/55/48/481975548.db2.gz JUTLPSQTFBIDIM-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N1CCCCCC1 ZINC000662866136 481998294 /nfs/dbraw/zinc/99/82/94/481998294.db2.gz FZAYSJRSJRQLON-KFKAGJAMSA-N 1 3 347.478 2.652 20 0 EFADHO Cc1csc2ncnc(N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)c12 ZINC000665700913 482004820 /nfs/dbraw/zinc/00/48/20/482004820.db2.gz OTKZWOUHTPKGTL-CYBMUJFWSA-N 1 3 331.489 2.580 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC([NH+]2CCCCC2)CC1 ZINC000654725028 482014395 /nfs/dbraw/zinc/01/43/95/482014395.db2.gz BMLDTDQUEBGYHF-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)N1CCC([NH+]2CCCCC2)CC1 ZINC000654725027 482014668 /nfs/dbraw/zinc/01/46/68/482014668.db2.gz BMLDTDQUEBGYHF-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654726390 482016913 /nfs/dbraw/zinc/01/69/13/482016913.db2.gz ZZWBSGLTZDWESY-ROUUACIJSA-N 1 3 336.524 2.615 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C ZINC000654728976 482018765 /nfs/dbraw/zinc/01/87/65/482018765.db2.gz BXQHZRXDDRPQOM-XDNAFOTISA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1C ZINC000654728976 482018771 /nfs/dbraw/zinc/01/87/71/482018771.db2.gz BXQHZRXDDRPQOM-XDNAFOTISA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000662973286 482021051 /nfs/dbraw/zinc/02/10/51/482021051.db2.gz YAGNKVZCWGQHHN-KXBFYZLASA-N 1 3 329.488 2.561 20 0 EFADHO Cc1cc(NC(=O)CCC(C)(C)[NH3+])ccc1OCCN1CCCC1 ZINC000649336207 482031821 /nfs/dbraw/zinc/03/18/21/482031821.db2.gz MQVJAYPZVRLMPV-UHFFFAOYSA-N 1 3 333.476 2.926 20 0 EFADHO C[C@H](NC1(CNC(=O)CCC(C)(C)[NH3+])CCOCC1)c1ccccc1 ZINC000649335269 482032181 /nfs/dbraw/zinc/03/21/81/482032181.db2.gz PDEOSYJIXONEKC-INIZCTEOSA-N 1 3 347.503 2.520 20 0 EFADHO CN(C)C[C@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc2O1 ZINC000649347402 482036249 /nfs/dbraw/zinc/03/62/49/482036249.db2.gz WAHWZOONBMYAIX-INIZCTEOSA-N 1 3 345.487 2.642 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000654786800 482051042 /nfs/dbraw/zinc/05/10/42/482051042.db2.gz FSJQZNKACAEPPL-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000660624292 482056310 /nfs/dbraw/zinc/05/63/10/482056310.db2.gz YQDUUBIQKSAJNZ-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO FC(F)(F)c1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000649411320 482066776 /nfs/dbraw/zinc/06/67/76/482066776.db2.gz IBYUQACPQQIQJU-HNNXBMFYSA-N 1 3 341.421 2.823 20 0 EFADHO C[C@H]1CC2(CN1Cc1csc(-c3cnn(C)c3)n1)CC[NH2+]CC2 ZINC000649420923 482069832 /nfs/dbraw/zinc/06/98/32/482069832.db2.gz ZQFUXIPXCQJDRQ-ZDUSSCGKSA-N 1 3 331.489 2.508 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000660657836 482077456 /nfs/dbraw/zinc/07/74/56/482077456.db2.gz ATFSWEWWTMPOAQ-LJQANCHMSA-N 1 3 326.444 2.697 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1nc(-c3ccccc3)no1)C2 ZINC000660657836 482077459 /nfs/dbraw/zinc/07/74/59/482077459.db2.gz ATFSWEWWTMPOAQ-LJQANCHMSA-N 1 3 326.444 2.697 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC34CCC(CC3)C4)CC2)CC1 ZINC000654965639 482110322 /nfs/dbraw/zinc/11/03/22/482110322.db2.gz IBTWJLABWSFQSC-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)N(C)C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000660752757 482125288 /nfs/dbraw/zinc/12/52/88/482125288.db2.gz CSYNWXDJXKTZKA-KRWDZBQOSA-N 1 3 340.458 2.920 20 0 EFADHO c1cnc(N2CCCC2)c(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000668473864 482137729 /nfs/dbraw/zinc/13/77/29/482137729.db2.gz DQRKMQXHPZDFQC-UHFFFAOYSA-N 1 3 337.471 2.835 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000668490948 482142580 /nfs/dbraw/zinc/14/25/80/482142580.db2.gz QBVQQMATBLAPPZ-NZSAHSFTSA-N 1 3 344.503 2.592 20 0 EFADHO CC[N@@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000660785998 482144044 /nfs/dbraw/zinc/14/40/44/482144044.db2.gz FQUOECCKMVJJGP-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@H+]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000660785998 482144048 /nfs/dbraw/zinc/14/40/48/482144048.db2.gz FQUOECCKMVJJGP-TZIWHRDSSA-N 1 3 345.531 2.694 20 0 EFADHO c1csc(N2CCC([NH2+]C[C@H]3CCCN(CC4CC4)C3)CC2)n1 ZINC000663344836 482173777 /nfs/dbraw/zinc/17/37/77/482173777.db2.gz YLKVVQFXXUNULA-MRXNPFEDSA-N 1 3 334.533 2.824 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082637 482175877 /nfs/dbraw/zinc/17/58/77/482175877.db2.gz XGSCBKJNZAENQL-KRWDZBQOSA-N 1 3 335.923 2.815 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360449 482182597 /nfs/dbraw/zinc/18/25/97/482182597.db2.gz OEQOKIFXTLFXRA-GOSISDBHSA-N 1 3 331.504 2.997 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNCCC(=O)N(C)c2ccccc2)C1 ZINC000663360449 482182605 /nfs/dbraw/zinc/18/26/05/482182605.db2.gz OEQOKIFXTLFXRA-GOSISDBHSA-N 1 3 331.504 2.997 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000652351479 482185833 /nfs/dbraw/zinc/18/58/33/482185833.db2.gz ZFFMDYJAPSHPIC-CUWPLCDZSA-N 1 3 341.499 2.631 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000652351479 482185837 /nfs/dbraw/zinc/18/58/37/482185837.db2.gz ZFFMDYJAPSHPIC-CUWPLCDZSA-N 1 3 341.499 2.631 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355719 482189720 /nfs/dbraw/zinc/18/97/20/482189720.db2.gz FBJMNVQQGZDKHI-RDJZCZTQSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CCN ZINC000652355719 482189729 /nfs/dbraw/zinc/18/97/29/482189729.db2.gz FBJMNVQQGZDKHI-RDJZCZTQSA-N 1 3 333.476 2.863 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355719 482189738 /nfs/dbraw/zinc/18/97/38/482189738.db2.gz FBJMNVQQGZDKHI-RDJZCZTQSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CC[NH3+] ZINC000652354711 482190175 /nfs/dbraw/zinc/19/01/75/482190175.db2.gz FWYAZSRNQFVYKA-MLGOLLRUSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCN ZINC000652354711 482190179 /nfs/dbraw/zinc/19/01/79/482190179.db2.gz FWYAZSRNQFVYKA-MLGOLLRUSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCN ZINC000652354711 482190186 /nfs/dbraw/zinc/19/01/86/482190186.db2.gz FWYAZSRNQFVYKA-MLGOLLRUSA-N 1 3 325.403 2.743 20 0 EFADHO CCc1[nH+]c2ccccc2c(NCCN2CCN(CC)CC2)c1C ZINC000663400330 482209246 /nfs/dbraw/zinc/20/92/46/482209246.db2.gz ZDVZMPRCESGFBL-UHFFFAOYSA-N 1 3 326.488 2.577 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000663449860 482243901 /nfs/dbraw/zinc/24/39/01/482243901.db2.gz GLCKLWDYGWJEFM-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668753847 482247327 /nfs/dbraw/zinc/24/73/27/482247327.db2.gz TZKDHOATUBSZSX-OXQOHEQNSA-N 1 3 325.456 2.805 20 0 EFADHO c1ccc(CN2CC[C@@H]2C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000668766403 482252501 /nfs/dbraw/zinc/25/25/01/482252501.db2.gz RIGODUVWYADEFJ-OAQYLSRUSA-N 1 3 336.483 2.915 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655349102 482277498 /nfs/dbraw/zinc/27/74/98/482277498.db2.gz JSNLSHWXPHELPG-PMACEKPBSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655349102 482277503 /nfs/dbraw/zinc/27/75/03/482277503.db2.gz JSNLSHWXPHELPG-PMACEKPBSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000655353548 482279828 /nfs/dbraw/zinc/27/98/28/482279828.db2.gz UHZDFPSUNYGWEB-QXAKKESOSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000655353548 482279832 /nfs/dbraw/zinc/27/98/32/482279832.db2.gz UHZDFPSUNYGWEB-QXAKKESOSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652597491 482309825 /nfs/dbraw/zinc/30/98/25/482309825.db2.gz DAUIBDFQAMFIAZ-UHFFFAOYSA-N 1 3 344.434 2.710 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000666413781 482322180 /nfs/dbraw/zinc/32/21/80/482322180.db2.gz BCISOGABMGEHLJ-CTNGQTDRSA-N 1 3 340.467 2.935 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000666443376 482334528 /nfs/dbraw/zinc/33/45/28/482334528.db2.gz FKQJEJYGDLLOGT-SFHVURJKSA-N 1 3 346.446 2.632 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N2CCCC2)cc1 ZINC000663869696 482413522 /nfs/dbraw/zinc/41/35/22/482413522.db2.gz AZKIULNIPNTHBT-MJGOQNOKSA-N 1 3 346.519 2.771 20 0 EFADHO c1ncn([C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000663917929 482422720 /nfs/dbraw/zinc/42/27/20/482422720.db2.gz PHNFOPIORIYIPU-IBGZPJMESA-N 1 3 325.460 2.711 20 0 EFADHO COC(=O)N1CCC([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)CC1 ZINC000152990226 533947410 /nfs/dbraw/zinc/94/74/10/533947410.db2.gz ZZXUFQUJDQBVPX-OAHLLOKOSA-N 1 3 349.475 2.508 20 0 EFADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098406 534123598 /nfs/dbraw/zinc/12/35/98/534123598.db2.gz SGIBKSMAPPBPHB-ANTGDGSKSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098406 534123606 /nfs/dbraw/zinc/12/36/06/534123606.db2.gz SGIBKSMAPPBPHB-ANTGDGSKSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000187904444 534253581 /nfs/dbraw/zinc/25/35/81/534253581.db2.gz ZNHHWSWKVMWEDC-INIZCTEOSA-N 1 3 333.495 2.905 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000192794728 519681533 /nfs/dbraw/zinc/68/15/33/519681533.db2.gz UBEZSHJAXMDMJH-HXUWFJFHSA-N 1 3 349.494 2.695 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC000192794728 519681535 /nfs/dbraw/zinc/68/15/35/519681535.db2.gz UBEZSHJAXMDMJH-HXUWFJFHSA-N 1 3 349.494 2.695 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)CC(C)C ZINC000073596717 520834579 /nfs/dbraw/zinc/83/45/79/520834579.db2.gz QZAGOHAMRRDITD-FGTMMUONSA-N 1 3 338.540 2.621 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1cccc(OC)c1 ZINC000180981505 520838734 /nfs/dbraw/zinc/83/87/34/520838734.db2.gz ULOHTESZYCCGTO-ICSRJNTNSA-N 1 3 347.503 2.727 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000181330472 520843045 /nfs/dbraw/zinc/84/30/45/520843045.db2.gz PCZZXDOVERNUOO-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1cccc(OC)c1 ZINC000180981521 520865474 /nfs/dbraw/zinc/86/54/74/520865474.db2.gz ULOHTESZYCCGTO-QUCCMNQESA-N 1 3 347.503 2.727 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000071932994 521010170 /nfs/dbraw/zinc/01/01/70/521010170.db2.gz SWMLDWCAGNQZIJ-GOSISDBHSA-N 1 3 338.540 2.530 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000071932994 521010174 /nfs/dbraw/zinc/01/01/74/521010174.db2.gz SWMLDWCAGNQZIJ-GOSISDBHSA-N 1 3 338.540 2.530 20 0 EFADHO CCCC[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000154558231 521062324 /nfs/dbraw/zinc/06/23/24/521062324.db2.gz GQZGHEOOXVNWDC-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000154558231 521062335 /nfs/dbraw/zinc/06/23/35/521062335.db2.gz GQZGHEOOXVNWDC-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000236847646 521213558 /nfs/dbraw/zinc/21/35/58/521213558.db2.gz HGUYMOJCEHWREZ-AWEZNQCLSA-N 1 3 327.856 2.736 20 0 EFADHO CCCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CC[NH2+]C1 ZINC000178926364 521438662 /nfs/dbraw/zinc/43/86/62/521438662.db2.gz ZBMJMYZLZVDTPL-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000121342795 521685901 /nfs/dbraw/zinc/68/59/01/521685901.db2.gz KDOZHLLIJFTCJJ-SJORKVTESA-N 1 3 349.519 2.628 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](c2ccco2)N(C)C)[C@H](C)C1 ZINC000154086431 521708063 /nfs/dbraw/zinc/70/80/63/521708063.db2.gz WRLGKOSDUCTVPI-SQNIBIBYSA-N 1 3 337.508 2.609 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000195519300 521778770 /nfs/dbraw/zinc/77/87/70/521778770.db2.gz MFCDMBBOWFJRJK-UHFFFAOYSA-N 1 3 345.512 2.791 20 0 EFADHO C[NH+](C)CCOCCNCc1ccc(Cl)c(Br)c1 ZINC000231676253 521795509 /nfs/dbraw/zinc/79/55/09/521795509.db2.gz BSEVKTUOPRVXAN-UHFFFAOYSA-N 1 3 335.673 2.770 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000118879883 521887993 /nfs/dbraw/zinc/88/79/93/521887993.db2.gz WQYIKTRHUYDGGJ-AWEZNQCLSA-N 1 3 341.455 2.709 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000118879883 521888006 /nfs/dbraw/zinc/88/80/06/521888006.db2.gz WQYIKTRHUYDGGJ-AWEZNQCLSA-N 1 3 341.455 2.709 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000177436720 521912454 /nfs/dbraw/zinc/91/24/54/521912454.db2.gz TVKPDGNAPGTCEG-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000156682406 521913360 /nfs/dbraw/zinc/91/33/60/521913360.db2.gz RHTCLAWFXOWCRK-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000079451371 521920245 /nfs/dbraw/zinc/92/02/45/521920245.db2.gz BMNDFICVYUGGOZ-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO COCC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183143179 522000598 /nfs/dbraw/zinc/00/05/98/522000598.db2.gz UVTMBYNTKVDGNZ-TUFLPTIASA-N 1 3 346.515 2.664 20 0 EFADHO Clc1cc(CCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000166345447 534629122 /nfs/dbraw/zinc/62/91/22/534629122.db2.gz IEWSUCSCDPPWTH-LSDHHAIUSA-N 1 3 336.863 2.870 20 0 EFADHO Clc1cc(CCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000166345447 534629128 /nfs/dbraw/zinc/62/91/28/534629128.db2.gz IEWSUCSCDPPWTH-LSDHHAIUSA-N 1 3 336.863 2.870 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000120599799 523026126 /nfs/dbraw/zinc/02/61/26/523026126.db2.gz AWZLVVXQJFZOSW-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000120599799 523026160 /nfs/dbraw/zinc/02/61/60/523026160.db2.gz AWZLVVXQJFZOSW-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000153740115 523585458 /nfs/dbraw/zinc/58/54/58/523585458.db2.gz WJCXTDRPHIPRLS-AWEZNQCLSA-N 1 3 333.476 2.535 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000153740115 523585467 /nfs/dbraw/zinc/58/54/67/523585467.db2.gz WJCXTDRPHIPRLS-AWEZNQCLSA-N 1 3 333.476 2.535 20 0 EFADHO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000152205330 524168067 /nfs/dbraw/zinc/16/80/67/524168067.db2.gz FHJINMDAFVEOLL-LPHOPBHVSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000245954661 524283587 /nfs/dbraw/zinc/28/35/87/524283587.db2.gz TUAOKIWMNVZBOP-ZWKOTPCHSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH+]1CCC(C)CC1)N1CCC(C)CC1 ZINC000072044396 524677897 /nfs/dbraw/zinc/67/78/97/524677897.db2.gz BYWMPFNBMSUIGT-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000219315109 524884861 /nfs/dbraw/zinc/88/48/61/524884861.db2.gz YOXHILCSDVCWAE-ZDUSSCGKSA-N 1 3 329.282 2.548 20 0 EFADHO Cc1cccc([C@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000192760362 524895913 /nfs/dbraw/zinc/89/59/13/524895913.db2.gz VRXMGVNNCVVGSB-HXUWFJFHSA-N 1 3 330.520 2.943 20 0 EFADHO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000192760362 524895924 /nfs/dbraw/zinc/89/59/24/524895924.db2.gz VRXMGVNNCVVGSB-HXUWFJFHSA-N 1 3 330.520 2.943 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000089516669 524899215 /nfs/dbraw/zinc/89/92/15/524899215.db2.gz WUWZWILLGVJJGX-DOMZBBRYSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000089516669 524899226 /nfs/dbraw/zinc/89/92/26/524899226.db2.gz WUWZWILLGVJJGX-DOMZBBRYSA-N 1 3 327.266 2.758 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000153619518 524965716 /nfs/dbraw/zinc/96/57/16/524965716.db2.gz DEVKZHRTDXTNHZ-RYRKJORJSA-N 1 3 329.488 2.720 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000153619518 524965729 /nfs/dbraw/zinc/96/57/29/524965729.db2.gz DEVKZHRTDXTNHZ-RYRKJORJSA-N 1 3 329.488 2.720 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000263216893 525283618 /nfs/dbraw/zinc/28/36/18/525283618.db2.gz KZLLYFDIGAKHFJ-QUCCMNQESA-N 1 3 329.488 2.675 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000263118230 525284532 /nfs/dbraw/zinc/28/45/32/525284532.db2.gz ATGHHUYMVTYSHW-CTNGQTDRSA-N 1 3 343.515 2.717 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636482 525360975 /nfs/dbraw/zinc/36/09/75/525360975.db2.gz MYSHLWFWVVDFPE-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636482 525360981 /nfs/dbraw/zinc/36/09/81/525360981.db2.gz MYSHLWFWVVDFPE-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)N2CCCC2)cc1 ZINC000156636482 525360987 /nfs/dbraw/zinc/36/09/87/525360987.db2.gz MYSHLWFWVVDFPE-POAQFYNOSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CN1Cc1ccccc1 ZINC000263018388 525432324 /nfs/dbraw/zinc/43/23/24/525432324.db2.gz QPHNLDOIWNFINO-MJKGWSOKSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(C)CC1 ZINC000090028415 525517945 /nfs/dbraw/zinc/51/79/45/525517945.db2.gz UPZFOSLDYSMXQG-MRXNPFEDSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC[NH2+]1 ZINC000180997297 525809077 /nfs/dbraw/zinc/80/90/77/525809077.db2.gz MDDNUMNUEQMSAT-IBGZPJMESA-N 1 3 347.528 2.749 20 0 EFADHO [NH3+][C@H]1CCC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000238043053 527406879 /nfs/dbraw/zinc/40/68/79/527406879.db2.gz GYPMAQOIQXQQRG-LPHOPBHVSA-N 1 3 329.488 2.806 20 0 EFADHO Cc1nn(C)c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177507713 527629097 /nfs/dbraw/zinc/62/90/97/527629097.db2.gz RMQMMTRVLBLXII-IYBDPMFKSA-N 1 3 348.535 2.748 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000165949615 527718842 /nfs/dbraw/zinc/71/88/42/527718842.db2.gz ODTQPHKVDIXMLE-QAPCUYQASA-N 1 3 349.475 2.651 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173779933 527846518 /nfs/dbraw/zinc/84/65/18/527846518.db2.gz TVCGAWFFZQIKHN-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000173779933 527846525 /nfs/dbraw/zinc/84/65/25/527846525.db2.gz TVCGAWFFZQIKHN-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000169206111 528166438 /nfs/dbraw/zinc/16/64/38/528166438.db2.gz GAUQOTORCWPAHB-SFHVURJKSA-N 1 3 332.492 2.531 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000166436004 528250825 /nfs/dbraw/zinc/25/08/25/528250825.db2.gz WZJSWGWUCUGETB-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)CC1 ZINC000164142809 528255613 /nfs/dbraw/zinc/25/56/13/528255613.db2.gz XELICYJDUZDADT-GOSISDBHSA-N 1 3 331.504 2.908 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)CC1 ZINC000174555345 528255933 /nfs/dbraw/zinc/25/59/33/528255933.db2.gz YSEUCQIIIKRQNG-UHFFFAOYSA-N 1 3 343.515 2.877 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000183913761 528438375 /nfs/dbraw/zinc/43/83/75/528438375.db2.gz TWAZRPWUCXMISA-LJQANCHMSA-N 1 3 331.504 2.601 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(CN(C)C)c1 ZINC000190127154 528447343 /nfs/dbraw/zinc/44/73/43/528447343.db2.gz SHTBYZDQCLHIOQ-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc2c(c1)OCO2 ZINC000191431176 528451500 /nfs/dbraw/zinc/45/15/00/528451500.db2.gz ZYTSMGXTJJBFMD-UHFFFAOYSA-N 1 3 347.503 2.653 20 0 EFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)Cc1ccc2c(c1)OCO2 ZINC000191431176 528451506 /nfs/dbraw/zinc/45/15/06/528451506.db2.gz ZYTSMGXTJJBFMD-UHFFFAOYSA-N 1 3 347.503 2.653 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000169140375 528663487 /nfs/dbraw/zinc/66/34/87/528663487.db2.gz FJEZEQMKBIMCFA-RLLQIKCJSA-N 1 3 334.504 2.621 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NC[C@](C)(O)c2ccccc2)[C@H](C)C1 ZINC000169140375 528663490 /nfs/dbraw/zinc/66/34/90/528663490.db2.gz FJEZEQMKBIMCFA-RLLQIKCJSA-N 1 3 334.504 2.621 20 0 EFADHO CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 ZINC000154626784 528983213 /nfs/dbraw/zinc/98/32/13/528983213.db2.gz SATRWSOIDVXADG-UHFFFAOYSA-N 1 3 348.491 2.541 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000186444198 529007800 /nfs/dbraw/zinc/00/78/00/529007800.db2.gz QTIXRQYAZCVUJD-NVXWUHKLSA-N 1 3 349.475 2.508 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccccc2F)CC1 ZINC000191401135 529038941 /nfs/dbraw/zinc/03/89/41/529038941.db2.gz CDXFUIHAXUVGMF-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000191401135 529038944 /nfs/dbraw/zinc/03/89/44/529038944.db2.gz CDXFUIHAXUVGMF-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000191377942 529039394 /nfs/dbraw/zinc/03/93/94/529039394.db2.gz YMHZCVBRXZNUQO-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000191377942 529039398 /nfs/dbraw/zinc/03/93/98/529039398.db2.gz YMHZCVBRXZNUQO-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000154215614 529144991 /nfs/dbraw/zinc/14/49/91/529144991.db2.gz ORWXSFKZTGFGNV-QGZVFWFLSA-N 1 3 337.508 2.980 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnc3ccsc3c2)CC1 ZINC000154305854 529145431 /nfs/dbraw/zinc/14/54/31/529145431.db2.gz RJADCXREVHZDMG-OAHLLOKOSA-N 1 3 332.517 2.975 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000236660404 534931636 /nfs/dbraw/zinc/93/16/36/534931636.db2.gz QJOYOBYMIHKXEV-UHFFFAOYSA-N 1 3 337.533 2.841 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000236681021 534933934 /nfs/dbraw/zinc/93/39/34/534933934.db2.gz ORGMFBLIRPTOQN-OAHLLOKOSA-N 1 3 337.533 2.841 20 0 EFADHO CCC(CC)(CNC(=O)[C@@H](N)CC(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000345719394 534975684 /nfs/dbraw/zinc/97/56/84/534975684.db2.gz PSUMEFLFPHBYLP-HIFRSBDPSA-N 1 3 341.446 2.995 20 0 EFADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000343918719 534984604 /nfs/dbraw/zinc/98/46/04/534984604.db2.gz FHERIBGANZGMDU-NQIIRXRSSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000343918719 534984608 /nfs/dbraw/zinc/98/46/08/534984608.db2.gz FHERIBGANZGMDU-NQIIRXRSSA-N 1 3 345.531 2.932 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418454068 535026716 /nfs/dbraw/zinc/02/67/16/535026716.db2.gz AQDGZXXEIZJZDT-RTBURBONSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417224709 535031708 /nfs/dbraw/zinc/03/17/08/535031708.db2.gz VUSCXXPFTBAYMU-NXHRZFHOSA-N 1 3 332.492 2.639 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417093618 535061629 /nfs/dbraw/zinc/06/16/29/535061629.db2.gz BTBKJPUGAGQUEU-RBUKOAKNSA-N 1 3 346.519 2.666 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@@H](C)N(C)C1CC1)[NH+]1CCCC1 ZINC000356280894 535142578 /nfs/dbraw/zinc/14/25/78/535142578.db2.gz NWJAWYMDACUUGN-QAPCUYQASA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000356233319 535149171 /nfs/dbraw/zinc/14/91/71/535149171.db2.gz PTBPEEYWAMYBLV-LPHOPBHVSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@@H](CNC(=O)C[C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236681804 535186758 /nfs/dbraw/zinc/18/67/58/535186758.db2.gz ZZXVKEWRHGLDBU-RTBURBONSA-N 1 3 331.504 2.949 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417086817 535189064 /nfs/dbraw/zinc/18/90/64/535189064.db2.gz GGHPGARUYHZLTC-UHFFFAOYSA-N 1 3 346.519 2.640 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418422420 535189434 /nfs/dbraw/zinc/18/94/34/535189434.db2.gz CSZVYPSGFXXGCU-UHFFFAOYSA-N 1 3 334.508 2.714 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344112594 535204470 /nfs/dbraw/zinc/20/44/70/535204470.db2.gz VCVSBPOHNPRTEB-KZNAEPCWSA-N 1 3 326.525 2.509 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2)CC1 ZINC000343875918 535204693 /nfs/dbraw/zinc/20/46/93/535204693.db2.gz WBSRHWOIOYAKAB-APWZRJJASA-N 1 3 344.503 2.544 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c2)CC1 ZINC000343875925 535205419 /nfs/dbraw/zinc/20/54/19/535205419.db2.gz WBSRHWOIOYAKAB-VQIMIIECSA-N 1 3 344.503 2.544 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000346276207 535205692 /nfs/dbraw/zinc/20/56/92/535205692.db2.gz GZQWUTHBDMTJCU-IRXDYDNUSA-N 1 3 344.503 2.673 20 0 EFADHO CCCN(C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000418365435 535219196 /nfs/dbraw/zinc/21/91/96/535219196.db2.gz XMBMGEQLWSEGFP-ZWKOTPCHSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@H+](CCCC1CCOCC1)CCN1CCN(CC)CC1 ZINC000344120048 535329168 /nfs/dbraw/zinc/32/91/68/535329168.db2.gz CNWZXPOLKZYKMU-UHFFFAOYSA-N 1 3 325.541 2.543 20 0 EFADHO CCC[N@@H+](CCCC1CCOCC1)CCN1CCN(CC)CC1 ZINC000344120048 535329170 /nfs/dbraw/zinc/32/91/70/535329170.db2.gz CNWZXPOLKZYKMU-UHFFFAOYSA-N 1 3 325.541 2.543 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236695295 535330729 /nfs/dbraw/zinc/33/07/29/535330729.db2.gz HRFCKXDOAMTBJC-YLJYHZDGSA-N 1 3 349.494 2.917 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000349142421 535364556 /nfs/dbraw/zinc/36/45/56/535364556.db2.gz IDMHXGPFQROTIK-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000349061908 535364581 /nfs/dbraw/zinc/36/45/81/535364581.db2.gz YREDZPLLRRLZJZ-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000236862341 535457290 /nfs/dbraw/zinc/45/72/90/535457290.db2.gz IYIOKMLLQOTFEM-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000427462539 535499898 /nfs/dbraw/zinc/49/98/98/535499898.db2.gz NAKUTPIUTBTUPS-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000344010344 535508228 /nfs/dbraw/zinc/50/82/28/535508228.db2.gz HQSXXLQMWHAGPH-VQTJNVASSA-N 1 3 345.531 2.727 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccc(S(C)(=O)=O)s1 ZINC000414236734 535519679 /nfs/dbraw/zinc/51/96/79/535519679.db2.gz GBHBDBCLHIDGHN-CYBMUJFWSA-N 1 3 332.535 2.752 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc3c(c2)ncn3C)C1 ZINC000342921339 535551366 /nfs/dbraw/zinc/55/13/66/535551366.db2.gz ULVBBQYZFZYMSS-KRWDZBQOSA-N 1 3 330.476 2.506 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359164890 535575091 /nfs/dbraw/zinc/57/50/91/535575091.db2.gz GNOWXWIIDLVPJI-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000349881113 535575208 /nfs/dbraw/zinc/57/52/08/535575208.db2.gz RMPSLMKVZNHXMW-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(COC)c1 ZINC000349059982 535593972 /nfs/dbraw/zinc/59/39/72/535593972.db2.gz DBFSFEQNLCHOFG-FQEVSTJZSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(COC)c1 ZINC000349059982 535593977 /nfs/dbraw/zinc/59/39/77/535593977.db2.gz DBFSFEQNLCHOFG-FQEVSTJZSA-N 1 3 333.520 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000359207708 535594448 /nfs/dbraw/zinc/59/44/48/535594448.db2.gz QRGIMFSQOFMCJZ-APWZRJJASA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000359207708 535594451 /nfs/dbraw/zinc/59/44/51/535594451.db2.gz QRGIMFSQOFMCJZ-APWZRJJASA-N 1 3 349.494 2.804 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccsc1 ZINC000422587496 535657401 /nfs/dbraw/zinc/65/74/01/535657401.db2.gz DZQJVZLSMDHHCO-AWEZNQCLSA-N 1 3 326.510 2.558 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@H]1C)c1ccccc1 ZINC000343601300 535673689 /nfs/dbraw/zinc/67/36/89/535673689.db2.gz LGTUZOXEQLRTKI-QXAKKESOSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418566166 535678778 /nfs/dbraw/zinc/67/87/78/535678778.db2.gz ADRBNIQTDNGAEG-IPMKNSEASA-N 1 3 344.503 2.562 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421822112 535699156 /nfs/dbraw/zinc/69/91/56/535699156.db2.gz VVWFNMCGYFNOHI-HXUWFJFHSA-N 1 3 349.494 2.903 20 0 EFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C(C)(C)C ZINC000414197564 535702274 /nfs/dbraw/zinc/70/22/74/535702274.db2.gz PMBNYLRHXIINMS-KRWDZBQOSA-N 1 3 325.541 2.587 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000343592992 535753637 /nfs/dbraw/zinc/75/36/37/535753637.db2.gz ALDXFQHBQGFJBL-VQTJNVASSA-N 1 3 342.531 2.545 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000343592992 535753640 /nfs/dbraw/zinc/75/36/40/535753640.db2.gz ALDXFQHBQGFJBL-VQTJNVASSA-N 1 3 342.531 2.545 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000359779055 535781132 /nfs/dbraw/zinc/78/11/32/535781132.db2.gz TWUILBARZNQEQI-BEFAXECRSA-N 1 3 329.488 2.693 20 0 EFADHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(-c2cccs2)n1 ZINC000342914721 535893476 /nfs/dbraw/zinc/89/34/76/535893476.db2.gz BJESKDQFPJDQQU-UHFFFAOYSA-N 1 3 348.516 2.691 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414878255 535912486 /nfs/dbraw/zinc/91/24/86/535912486.db2.gz GXCUFOHSHRMBDX-GOSISDBHSA-N 1 3 348.491 2.656 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414342448 535916747 /nfs/dbraw/zinc/91/67/47/535916747.db2.gz PPFBXWBKBGALMG-YSGRDPCXSA-N 1 3 343.515 2.908 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000414331959 535916917 /nfs/dbraw/zinc/91/69/17/535916917.db2.gz USEBURIEQDXRIQ-IBGZPJMESA-N 1 3 331.504 2.908 20 0 EFADHO CN(C)C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418379168 535951695 /nfs/dbraw/zinc/95/16/95/535951695.db2.gz CTULEOJKZJVPRI-GPANFISMSA-N 1 3 338.883 2.512 20 0 EFADHO CN(C(=O)CN1CCC2(CC[NH2+]C2)CC1)[C@@H]1CCCc2ccccc21 ZINC000431011648 535985556 /nfs/dbraw/zinc/98/55/56/535985556.db2.gz BIOZRPBEEZZDID-LJQANCHMSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000349629953 536004417 /nfs/dbraw/zinc/00/44/17/536004417.db2.gz JZEZPOOITZVLDX-DFNIBXOVSA-N 1 3 344.503 2.515 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000349629953 536004423 /nfs/dbraw/zinc/00/44/23/536004423.db2.gz JZEZPOOITZVLDX-DFNIBXOVSA-N 1 3 344.503 2.515 20 0 EFADHO CN(CCNC(=O)c1ccccc1C[NH+](C)C)Cc1ccccc1 ZINC000433298815 536043295 /nfs/dbraw/zinc/04/32/95/536043295.db2.gz ASSJCIKIBPCPQV-UHFFFAOYSA-N 1 3 325.456 2.610 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)N(CC)CC ZINC000348903236 536090659 /nfs/dbraw/zinc/09/06/59/536090659.db2.gz XICKKEXIKWWWSM-SLFFLAALSA-N 1 3 343.515 2.697 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359506137 536405964 /nfs/dbraw/zinc/40/59/64/536405964.db2.gz BPOKXYGGJYLPIN-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359506137 536405967 /nfs/dbraw/zinc/40/59/67/536405967.db2.gz BPOKXYGGJYLPIN-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418663597 536474255 /nfs/dbraw/zinc/47/42/55/536474255.db2.gz XYWWNMPXELSKAK-CEXWTWQISA-N 1 3 344.503 2.592 20 0 EFADHO CO[C@@H](c1ccccc1)[C@@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000343962679 536559494 /nfs/dbraw/zinc/55/94/94/536559494.db2.gz AYWXRBZZHIEPGI-OXQOHEQNSA-N 1 3 343.471 2.888 20 0 EFADHO COc1ccc(Cn2nc(C)c(CN3CCC(C[NH3+])CC3)c2C)cc1 ZINC000435398755 536588911 /nfs/dbraw/zinc/58/89/11/536588911.db2.gz QSYVYJWWIAVESP-UHFFFAOYSA-N 1 3 342.487 2.728 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344633052 536588903 /nfs/dbraw/zinc/58/89/03/536588903.db2.gz QNPIMLMKZWGUHO-OCCSQVGLSA-N 1 3 346.427 2.800 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344633052 536588910 /nfs/dbraw/zinc/58/89/10/536588910.db2.gz QNPIMLMKZWGUHO-OCCSQVGLSA-N 1 3 346.427 2.800 20 0 EFADHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(SC)cc1OC ZINC000414772964 536772861 /nfs/dbraw/zinc/77/28/61/536772861.db2.gz VZALUSKNKNKYQY-OKILXGFUSA-N 1 3 336.501 2.857 20 0 EFADHO COc1cccc(-c2nn(C(C)(C)C)cc2CNC[C@H](C)C[NH3+])c1 ZINC000414876299 537069454 /nfs/dbraw/zinc/06/94/54/537069454.db2.gz LCJRASAJRBEGOW-CQSZACIVSA-N 1 3 330.476 2.998 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000279979625 545649600 /nfs/dbraw/zinc/64/96/00/545649600.db2.gz DKZVKUFMBWJSGQ-NVXWUHKLSA-N 1 3 336.476 2.638 20 0 EFADHO Cc1cccc(N2CC[NH+](CCCCN[C@H](C)c3ncc[nH]3)CC2)c1 ZINC000285663596 545681088 /nfs/dbraw/zinc/68/10/88/545681088.db2.gz MZSUTYMBNMKWAJ-GOSISDBHSA-N 1 3 341.503 2.971 20 0 EFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc2c1CC[NH2+]C2 ZINC000311261679 545808093 /nfs/dbraw/zinc/80/80/93/545808093.db2.gz GLKLIOSXZCJBQI-LJQANCHMSA-N 1 3 349.478 2.727 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H]1C ZINC000333244254 545871520 /nfs/dbraw/zinc/87/15/20/545871520.db2.gz BMKATSFKTFWLGK-RHSMWYFYSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H]1C ZINC000333244254 545871524 /nfs/dbraw/zinc/87/15/24/545871524.db2.gz BMKATSFKTFWLGK-RHSMWYFYSA-N 1 3 346.475 2.505 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000339232456 545924087 /nfs/dbraw/zinc/92/40/87/545924087.db2.gz FSKGJCKECXWWDH-SFHVURJKSA-N 1 3 343.515 2.816 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000339232456 545924091 /nfs/dbraw/zinc/92/40/91/545924091.db2.gz FSKGJCKECXWWDH-SFHVURJKSA-N 1 3 343.515 2.816 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000339232451 545924717 /nfs/dbraw/zinc/92/47/17/545924717.db2.gz FSKGJCKECXWWDH-GOSISDBHSA-N 1 3 343.515 2.816 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCN1CCc2ccccc2C1 ZINC000339232451 545924723 /nfs/dbraw/zinc/92/47/23/545924723.db2.gz FSKGJCKECXWWDH-GOSISDBHSA-N 1 3 343.515 2.816 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000341282848 545939984 /nfs/dbraw/zinc/93/99/84/545939984.db2.gz UBAKRHRDHJSHAP-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000343541068 545958065 /nfs/dbraw/zinc/95/80/65/545958065.db2.gz XITPZFJPJZXJPB-DNVCBOLYSA-N 1 3 329.488 2.767 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000348381600 545985010 /nfs/dbraw/zinc/98/50/10/545985010.db2.gz RFRRTOPZUQDINM-PMACEKPBSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000348381613 545985240 /nfs/dbraw/zinc/98/52/40/545985240.db2.gz RFRRTOPZUQDINM-WOJBJXKFSA-N 1 3 341.499 2.790 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(Cc3cnn(CC(F)(F)F)c3)C2)CC1 ZINC000349195601 545997092 /nfs/dbraw/zinc/99/70/92/545997092.db2.gz SVQHKHUZYJOFLR-OAHLLOKOSA-N 1 3 330.398 2.609 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360338372 546128948 /nfs/dbraw/zinc/12/89/48/546128948.db2.gz XWSCUQUJAGUBNQ-JENIJYKNSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389909711 546160121 /nfs/dbraw/zinc/16/01/21/546160121.db2.gz INUAZOPKWLBSMH-NEWSRXKRSA-N 1 3 331.504 2.634 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000414335656 546189738 /nfs/dbraw/zinc/18/97/38/546189738.db2.gz HLGHWUVGBYZETK-PMACEKPBSA-N 1 3 341.499 2.662 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000417005584 546206300 /nfs/dbraw/zinc/20/63/00/546206300.db2.gz JBCQNEUULMPQGG-HRCADAONSA-N 1 3 338.521 2.700 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000417629972 546210380 /nfs/dbraw/zinc/21/03/80/546210380.db2.gz QOFJVPVLZTXKAP-BHYGNILZSA-N 1 3 332.492 2.685 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417689963 546210898 /nfs/dbraw/zinc/21/08/98/546210898.db2.gz KOLVXTPENRMIFJ-AYBZRNKSSA-N 1 3 344.503 2.781 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418034802 546212569 /nfs/dbraw/zinc/21/25/69/546212569.db2.gz OTYHXZHLTHVBBE-QRVBRYPASA-N 1 3 346.519 2.712 20 0 EFADHO C[C@@H](CCN1CCC2(C1)CCOCC2)[N@@H+]1CCC2(C1)CCOCC2 ZINC000431603974 546227939 /nfs/dbraw/zinc/22/79/39/546227939.db2.gz MNQDOOQUZMIFKV-SFHVURJKSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@@H](CCN1CCC2(C1)CCOCC2)[N@H+]1CCC2(C1)CCOCC2 ZINC000431603974 546227944 /nfs/dbraw/zinc/22/79/44/546227944.db2.gz MNQDOOQUZMIFKV-SFHVURJKSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@@H](CC[N@@H+]1CCC2(C1)CCOCC2)N1CCC2(C1)CCOCC2 ZINC000431603974 546227950 /nfs/dbraw/zinc/22/79/50/546227950.db2.gz MNQDOOQUZMIFKV-SFHVURJKSA-N 1 3 336.520 2.770 20 0 EFADHO C[C@@H](CC[N@H+]1CCC2(C1)CCOCC2)N1CCC2(C1)CCOCC2 ZINC000431603974 546227954 /nfs/dbraw/zinc/22/79/54/546227954.db2.gz MNQDOOQUZMIFKV-SFHVURJKSA-N 1 3 336.520 2.770 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccccc1 ZINC000655411397 546437776 /nfs/dbraw/zinc/43/77/76/546437776.db2.gz SLNDPZBMJREHFA-GGPKGHCWSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000655446526 546449986 /nfs/dbraw/zinc/44/99/86/546449986.db2.gz DPIGDCDQUHQWQE-XLBJILASSA-N 1 3 341.499 2.545 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1ccsc1 ZINC000655444824 546450416 /nfs/dbraw/zinc/45/04/16/546450416.db2.gz QYTRWUZSCQCTBX-NUJGCVRESA-N 1 3 335.517 2.637 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444892 546450533 /nfs/dbraw/zinc/45/05/33/546450533.db2.gz WDKIZUKBWNPWNX-ZVDOUQERSA-N 1 3 341.499 2.720 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655447173 546450914 /nfs/dbraw/zinc/45/09/14/546450914.db2.gz LEHWHBWUJHKFPI-JXFKEZNVSA-N 1 3 342.487 2.521 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447175 546451152 /nfs/dbraw/zinc/45/11/52/546451152.db2.gz LEHWHBWUJHKFPI-OXQOHEQNSA-N 1 3 342.487 2.521 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467883 546456944 /nfs/dbraw/zinc/45/69/44/546456944.db2.gz OTTYFEODWCXVBM-PKOBYXMFSA-N 1 3 349.906 2.620 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467880 546456982 /nfs/dbraw/zinc/45/69/82/546456982.db2.gz OTTYFEODWCXVBM-HKUYNNGSSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000655698702 546539389 /nfs/dbraw/zinc/53/93/89/546539389.db2.gz UNKDVWRQLPIUOO-PKOBYXMFSA-N 1 3 337.552 2.730 20 0 EFADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000655702827 546542057 /nfs/dbraw/zinc/54/20/57/546542057.db2.gz BGHPXORVOHJIPN-OALUTQOASA-N 1 3 349.519 2.896 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000655702827 546542064 /nfs/dbraw/zinc/54/20/64/546542064.db2.gz BGHPXORVOHJIPN-OALUTQOASA-N 1 3 349.519 2.896 20 0 EFADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655706249 546542403 /nfs/dbraw/zinc/54/24/03/546542403.db2.gz KEESZKFJWRXHLS-HLNWXESRSA-N 1 3 337.552 2.586 20 0 EFADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655706250 546542552 /nfs/dbraw/zinc/54/25/52/546542552.db2.gz KEESZKFJWRXHLS-RMJJICAUSA-N 1 3 337.552 2.586 20 0 EFADHO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655711845 546544555 /nfs/dbraw/zinc/54/45/55/546544555.db2.gz OCPFBUVECJHSRB-IEBWSBKVSA-N 1 3 337.552 2.730 20 0 EFADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655714458 546545608 /nfs/dbraw/zinc/54/56/08/546545608.db2.gz DVDGTMXXSYZGMW-WOJBJXKFSA-N 1 3 337.552 2.874 20 0 EFADHO CCCCN1CCCC[C@@H]1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655714456 546545994 /nfs/dbraw/zinc/54/59/94/546545994.db2.gz DVDGTMXXSYZGMW-UXHICEINSA-N 1 3 337.552 2.874 20 0 EFADHO CN(C)CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000655716346 546547831 /nfs/dbraw/zinc/54/78/31/546547831.db2.gz SJORSQYFHKPNJJ-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO C1C[C@H](N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)CO1 ZINC000655719664 546548449 /nfs/dbraw/zinc/54/84/49/546548449.db2.gz UTOVSWSEVUJZLC-FQEVSTJZSA-N 1 3 335.536 2.626 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)N(C)Cc1ccccc1 ZINC000655719979 546548873 /nfs/dbraw/zinc/54/88/73/546548873.db2.gz YLFNDNOMHAWDBW-GHTZIAJQSA-N 1 3 345.531 2.740 20 0 EFADHO FC(F)Oc1cccc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655724865 546551267 /nfs/dbraw/zinc/55/12/67/546551267.db2.gz ITLMQGCLPFXTFT-HNNXBMFYSA-N 1 3 326.387 2.631 20 0 EFADHO CN(C)C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655768436 546573426 /nfs/dbraw/zinc/57/34/26/546573426.db2.gz DAUKFSROGZJUKQ-PMACEKPBSA-N 1 3 349.494 2.661 20 0 EFADHO CC[N@H+](CCCNC1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655792472 546584204 /nfs/dbraw/zinc/58/42/04/546584204.db2.gz JGVVNVSLODFHHS-FQEVSTJZSA-N 1 3 337.552 2.874 20 0 EFADHO CC[N@@H+](CCCNC1CCN([C@H]2CCOC2)CC1)C1CCCCC1 ZINC000655792472 546584211 /nfs/dbraw/zinc/58/42/11/546584211.db2.gz JGVVNVSLODFHHS-FQEVSTJZSA-N 1 3 337.552 2.874 20 0 EFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655909318 546633838 /nfs/dbraw/zinc/63/38/38/546633838.db2.gz GTYQZOREYDUXCU-DOTOQJQBSA-N 1 3 346.450 2.610 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655963736 546652968 /nfs/dbraw/zinc/65/29/68/546652968.db2.gz RMELUWSHMVDSNL-JCGIZDLHSA-N 1 3 330.476 2.522 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000656106385 546680672 /nfs/dbraw/zinc/68/06/72/546680672.db2.gz PJDVUPQIAMQSTJ-ROUUACIJSA-N 1 3 338.540 2.669 20 0 EFADHO O=C1Nc2ccccc2CC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656267525 546757613 /nfs/dbraw/zinc/75/76/13/546757613.db2.gz FSFCDWHCIVTUFL-LJQANCHMSA-N 1 3 336.439 2.594 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000656698214 546892317 /nfs/dbraw/zinc/89/23/17/546892317.db2.gz ZFNAIKPOZKZXER-IBGZPJMESA-N 1 3 344.503 2.642 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000656698214 546892322 /nfs/dbraw/zinc/89/23/22/546892322.db2.gz ZFNAIKPOZKZXER-IBGZPJMESA-N 1 3 344.503 2.642 20 0 EFADHO c1ccc(N2CCOCC2)c(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656783813 546923099 /nfs/dbraw/zinc/92/30/99/546923099.db2.gz AHKOSNIFMMCZAB-IBGZPJMESA-N 1 3 343.515 2.735 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785528 546923527 /nfs/dbraw/zinc/92/35/27/546923527.db2.gz LLVNZWHRCRUPPF-IBGZPJMESA-N 1 3 328.504 2.893 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2ccncc2)n1 ZINC000656786460 546923988 /nfs/dbraw/zinc/92/39/88/546923988.db2.gz SVZQHKZJQWUIPX-GOSISDBHSA-N 1 3 339.487 2.694 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cc(OC)c1O ZINC000656787310 546924105 /nfs/dbraw/zinc/92/41/05/546924105.db2.gz XBAFHSVDMHBPLZ-INIZCTEOSA-N 1 3 334.460 2.621 20 0 EFADHO COCCOc1ccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000656786725 546924408 /nfs/dbraw/zinc/92/44/08/546924408.db2.gz WZEDAOFKUSYEFC-LJQANCHMSA-N 1 3 332.488 2.923 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657311187 547102778 /nfs/dbraw/zinc/10/27/78/547102778.db2.gz VFWZWXDDEXBBAX-ZDUSSCGKSA-N 1 3 345.409 2.543 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657311473 547103234 /nfs/dbraw/zinc/10/32/34/547103234.db2.gz ZPMCBJBGADNBES-CYBMUJFWSA-N 1 3 345.409 2.543 20 0 EFADHO CCCOc1ccc(C[NH2+]CCCN2CCCN(C)CC2)c(C)c1 ZINC000657349767 547124507 /nfs/dbraw/zinc/12/45/07/547124507.db2.gz MNBKJSKLUPQLCY-UHFFFAOYSA-N 1 3 333.520 2.901 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cccc(OC2CC2)c1F ZINC000657356902 547127902 /nfs/dbraw/zinc/12/79/02/547127902.db2.gz UNXNABMUWWNMDJ-MRXNPFEDSA-N 1 3 336.451 2.693 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cccc(OC2CC2)c1F ZINC000657356902 547127906 /nfs/dbraw/zinc/12/79/06/547127906.db2.gz UNXNABMUWWNMDJ-MRXNPFEDSA-N 1 3 336.451 2.693 20 0 EFADHO COCc1csc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000657367178 547133781 /nfs/dbraw/zinc/13/37/81/547133781.db2.gz MIYAAOWXJWWEON-HUUCEWRRSA-N 1 3 326.506 2.874 20 0 EFADHO C[NH+](C)CCOCCNCc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657438383 547162518 /nfs/dbraw/zinc/16/25/18/547162518.db2.gz PRYZCRCVPJBHCS-UHFFFAOYSA-N 1 3 333.407 2.681 20 0 EFADHO CO[C@](C)(CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000657593086 547220324 /nfs/dbraw/zinc/22/03/24/547220324.db2.gz YLGNESDLZIMBQG-HSALFYBXSA-N 1 3 332.488 2.825 20 0 EFADHO CO[C@](C)(CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)COCc1ccccc1 ZINC000657593086 547220329 /nfs/dbraw/zinc/22/03/29/547220329.db2.gz YLGNESDLZIMBQG-HSALFYBXSA-N 1 3 332.488 2.825 20 0 EFADHO Cn1nc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000657613056 547228698 /nfs/dbraw/zinc/22/86/98/547228698.db2.gz VNRJUAVREHCCES-UHFFFAOYSA-N 1 3 349.482 2.970 20 0 EFADHO CN(C)c1ccncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613735 547229325 /nfs/dbraw/zinc/22/93/25/547229325.db2.gz QGAWLRVXQVOLLF-UHFFFAOYSA-N 1 3 339.487 2.544 20 0 EFADHO c1nc2ccccn2c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657613337 547229948 /nfs/dbraw/zinc/22/99/48/547229948.db2.gz YYWOLBIMOWMAET-UHFFFAOYSA-N 1 3 335.455 2.731 20 0 EFADHO FC(F)(F)Cn1ccnc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657812458 547292640 /nfs/dbraw/zinc/29/26/40/547292640.db2.gz CPJALYQICDVZDQ-UHFFFAOYSA-N 1 3 330.398 2.657 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000657826639 547295193 /nfs/dbraw/zinc/29/51/93/547295193.db2.gz JOTZITWHIPVYDQ-KRWDZBQOSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000657838366 547299188 /nfs/dbraw/zinc/29/91/88/547299188.db2.gz SCXGOVJOQSBSCE-IAGOWNOFSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000657838366 547299191 /nfs/dbraw/zinc/29/91/91/547299191.db2.gz SCXGOVJOQSBSCE-IAGOWNOFSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000657861794 547305356 /nfs/dbraw/zinc/30/53/56/547305356.db2.gz LTXMUFZOOCTAJZ-KRWDZBQOSA-N 1 3 327.476 2.832 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cc2ccncc2s1 ZINC000657873089 547307142 /nfs/dbraw/zinc/30/71/42/547307142.db2.gz RRPLDSKBTQMVOW-HNNXBMFYSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657880088 547308688 /nfs/dbraw/zinc/30/86/88/547308688.db2.gz KXHJENUHJFPBNF-HNNXBMFYSA-N 1 3 347.894 2.822 20 0 EFADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000658167497 547378424 /nfs/dbraw/zinc/37/84/24/547378424.db2.gz SIPLWHMOGOLTTH-OTWHNJEPSA-N 1 3 329.488 2.697 20 0 EFADHO c1cc2n(n1)CCC[C@@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167332 547378477 /nfs/dbraw/zinc/37/84/77/547378477.db2.gz XNYHSCIZLJIPMU-SFHVURJKSA-N 1 3 325.460 2.615 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H](C)C1 ZINC000658168381 547378561 /nfs/dbraw/zinc/37/85/61/547378561.db2.gz WOQCELZXPWILBN-PXNSSMCTSA-N 1 3 330.520 2.614 20 0 EFADHO Cn1ccnc1[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000658168366 547378854 /nfs/dbraw/zinc/37/88/54/547378854.db2.gz WIHBNWQVVSAPRT-LJQANCHMSA-N 1 3 339.487 2.768 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2nccn21 ZINC000658166468 547378893 /nfs/dbraw/zinc/37/88/93/547378893.db2.gz VFBZJVNCDNTLQA-MAUKXSAKSA-N 1 3 325.460 2.786 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC000658168383 547378982 /nfs/dbraw/zinc/37/89/82/547378982.db2.gz WOQCELZXPWILBN-XLIONFOSSA-N 1 3 330.520 2.614 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673438601 547898423 /nfs/dbraw/zinc/89/84/23/547898423.db2.gz XHLGWFQQOTYOFK-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673657703 547928138 /nfs/dbraw/zinc/92/81/38/547928138.db2.gz VMHQKLREEWHCQD-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673657704 547928315 /nfs/dbraw/zinc/92/83/15/547928315.db2.gz VMHQKLREEWHCQD-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000674307924 548061269 /nfs/dbraw/zinc/06/12/69/548061269.db2.gz LEBQTOAFOORPRN-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO COC[C@H]1CCCN1Cc1cccc(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000674500210 548099910 /nfs/dbraw/zinc/09/99/10/548099910.db2.gz RQTJKOHDZSMJJD-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCCN1Cc1cccc(C[N@H+]2CCC[C@H]2COC)c1 ZINC000674500210 548099914 /nfs/dbraw/zinc/09/99/14/548099914.db2.gz RQTJKOHDZSMJJD-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCC[N@H+]1Cc1cccc(CN2CCC[C@H]2COC)c1 ZINC000674500210 548099918 /nfs/dbraw/zinc/09/99/18/548099918.db2.gz RQTJKOHDZSMJJD-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCC[N@@H+]1Cc1cccc(CN2CCC[C@H]2COC)c1 ZINC000674500210 548099924 /nfs/dbraw/zinc/09/99/24/548099924.db2.gz RQTJKOHDZSMJJD-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000675176698 548220176 /nfs/dbraw/zinc/22/01/76/548220176.db2.gz IEDHEMSGNSNSKQ-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000675176698 548220179 /nfs/dbraw/zinc/22/01/79/548220179.db2.gz IEDHEMSGNSNSKQ-KRWDZBQOSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000675184725 548223005 /nfs/dbraw/zinc/22/30/05/548223005.db2.gz ODHSQSRYYQGTOW-RBUKOAKNSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000675188795 548223776 /nfs/dbraw/zinc/22/37/76/548223776.db2.gz PMHRDDJWKQFEQF-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000675198843 548227898 /nfs/dbraw/zinc/22/78/98/548227898.db2.gz ZDGBNHAWYZUDFV-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@H]2C)CC1 ZINC000675734010 548341272 /nfs/dbraw/zinc/34/12/72/548341272.db2.gz UTMZCGFJTNMGJJ-MJGOQNOKSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)C1CC[NH+](C)CC1 ZINC000675734769 548342814 /nfs/dbraw/zinc/34/28/14/548342814.db2.gz UOVBXHYKODJOGA-NSHDSACASA-N 1 3 341.381 2.568 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H](C)C3)CC2)[C@@H](C)C1 ZINC000675916459 548375775 /nfs/dbraw/zinc/37/57/75/548375775.db2.gz ZVSMQKNCIUVIOG-FEHORTKBSA-N 1 3 335.536 2.876 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC(C(C)C)C(C)C ZINC000676297730 548446257 /nfs/dbraw/zinc/44/62/57/548446257.db2.gz ADBSZMRWLLLZKM-QGZVFWFLSA-N 1 3 340.556 2.725 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC(C(C)C)C(C)C ZINC000676297730 548446259 /nfs/dbraw/zinc/44/62/59/548446259.db2.gz ADBSZMRWLLLZKM-QGZVFWFLSA-N 1 3 340.556 2.725 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000676541380 548495643 /nfs/dbraw/zinc/49/56/43/548495643.db2.gz CTTBILRSOKVERS-YQVWRLOYSA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000676541380 548495646 /nfs/dbraw/zinc/49/56/46/548495646.db2.gz CTTBILRSOKVERS-YQVWRLOYSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1C ZINC000678261358 548881427 /nfs/dbraw/zinc/88/14/27/548881427.db2.gz KTFUNJAQBFNJQW-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H](Cc1cccs1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000678591583 548957934 /nfs/dbraw/zinc/95/79/34/548957934.db2.gz SDQUQMVLBVNQGT-OAHLLOKOSA-N 1 3 345.512 2.760 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCCc4cc(F)ccc43)C2)CC1 ZINC000678772259 548984569 /nfs/dbraw/zinc/98/45/69/548984569.db2.gz WELCZNWFMQKRND-FXAWDEMLSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@@H]1C[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@@H+]1C ZINC000679131822 549062267 /nfs/dbraw/zinc/06/22/67/549062267.db2.gz QFSZMEWGTQVHHY-VQIMIIECSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@@H]1C[C@H](Nc2ccccc2CN2CCC(CO)CC2)CC[N@H+]1C ZINC000679131822 549062269 /nfs/dbraw/zinc/06/22/69/549062269.db2.gz QFSZMEWGTQVHHY-VQIMIIECSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679626339 549160956 /nfs/dbraw/zinc/16/09/56/549160956.db2.gz UFAAQWGXWPYCIB-SXLOBPIMSA-N 1 3 332.488 2.540 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679626339 549160964 /nfs/dbraw/zinc/16/09/64/549160964.db2.gz UFAAQWGXWPYCIB-SXLOBPIMSA-N 1 3 332.488 2.540 20 0 EFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1C ZINC000680052587 549243201 /nfs/dbraw/zinc/24/32/01/549243201.db2.gz FPYOVJFRZFKRSP-MOPGFXCFSA-N 1 3 325.456 2.887 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680271441 549285509 /nfs/dbraw/zinc/28/55/09/549285509.db2.gz XDWAXVMEHPOZGS-IYWMVGAKSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680271441 549285511 /nfs/dbraw/zinc/28/55/11/549285511.db2.gz XDWAXVMEHPOZGS-IYWMVGAKSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]([C@H](C)[NH2+]CC(=O)NC1CCN(C2CC2)CC1)C1CCCCC1 ZINC000680399613 549316816 /nfs/dbraw/zinc/31/68/16/549316816.db2.gz IJQAXEJIXYHFTP-HOTGVXAUSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000681008979 549440608 /nfs/dbraw/zinc/44/06/08/549440608.db2.gz NINNHBMXAZBFFV-PMACEKPBSA-N 1 3 332.488 2.922 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000681313188 549508001 /nfs/dbraw/zinc/50/80/01/549508001.db2.gz PAJLHAKQLGMGNC-LSDHHAIUSA-N 1 3 333.476 2.509 20 0 EFADHO C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)CN1C ZINC000681491447 549548201 /nfs/dbraw/zinc/54/82/01/549548201.db2.gz IZJKPHTWIIQCSZ-QZTJIDSGSA-N 1 3 331.504 2.686 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000682109841 549698992 /nfs/dbraw/zinc/69/89/92/549698992.db2.gz VHQANRALDZTNSI-MRXNPFEDSA-N 1 3 332.492 2.644 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000682109841 549698995 /nfs/dbraw/zinc/69/89/95/549698995.db2.gz VHQANRALDZTNSI-MRXNPFEDSA-N 1 3 332.492 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000682109840 549699043 /nfs/dbraw/zinc/69/90/43/549699043.db2.gz VHQANRALDZTNSI-INIZCTEOSA-N 1 3 332.492 2.644 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2CCN(C)C)C1 ZINC000682109840 549699045 /nfs/dbraw/zinc/69/90/45/549699045.db2.gz VHQANRALDZTNSI-INIZCTEOSA-N 1 3 332.492 2.644 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ccn(C)c(=O)c1 ZINC000682534299 549760115 /nfs/dbraw/zinc/76/01/15/549760115.db2.gz QMWBPKLMQXWIQE-IAGOWNOFSA-N 1 3 339.483 2.632 20 0 EFADHO FC(F)(F)OCCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682730522 549798686 /nfs/dbraw/zinc/79/86/86/549798686.db2.gz HLNGADHZAVVDFP-UHFFFAOYSA-N 1 3 332.366 2.787 20 0 EFADHO CN1CCC2(CCC[N@@H+]2Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000682782007 549804532 /nfs/dbraw/zinc/80/45/32/549804532.db2.gz HIVMCQSAPGUBDD-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO CN1CCC2(CCC[N@H+]2Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000682782007 549804534 /nfs/dbraw/zinc/80/45/34/549804534.db2.gz HIVMCQSAPGUBDD-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO C[NH+]1CCC2(CCCN2Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000682782007 549804537 /nfs/dbraw/zinc/80/45/37/549804537.db2.gz HIVMCQSAPGUBDD-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1 ZINC000684110750 549992921 /nfs/dbraw/zinc/99/29/21/549992921.db2.gz AFLKVFJGNOBLIW-LJQANCHMSA-N 1 3 333.520 2.837 20 0 EFADHO Cc1ccc(CCC[NH2+]Cc2ccccc2CN2CC[C@H](O)C2)cn1 ZINC000684394147 550034201 /nfs/dbraw/zinc/03/42/01/550034201.db2.gz XYHVBMPHQHFZNC-NRFANRHFSA-N 1 3 339.483 2.679 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000684821595 550099934 /nfs/dbraw/zinc/09/99/34/550099934.db2.gz CQYALSSYZUHTBE-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1nccc2ccccc21 ZINC000685454800 550153610 /nfs/dbraw/zinc/15/36/10/550153610.db2.gz UJTDQZLEGOWQLN-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CCCOc1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000685455082 550153869 /nfs/dbraw/zinc/15/38/69/550153869.db2.gz YZTWORCLOAJMTO-UHFFFAOYSA-N 1 3 345.531 2.935 20 0 EFADHO CN(Cc1cnc(C2CC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457251 550154481 /nfs/dbraw/zinc/15/44/81/550154481.db2.gz OUVGXUGJUMJVAB-MRXNPFEDSA-N 1 3 334.533 2.621 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000685463167 550155962 /nfs/dbraw/zinc/15/59/62/550155962.db2.gz WAWZXJAKIKROII-IBGZPJMESA-N 1 3 341.499 2.743 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(C(=O)NC4CC4)cc3)C2)CC1 ZINC000685463167 550155963 /nfs/dbraw/zinc/15/59/63/550155963.db2.gz WAWZXJAKIKROII-IBGZPJMESA-N 1 3 341.499 2.743 20 0 EFADHO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000754159947 575399939 /nfs/dbraw/zinc/39/99/39/575399939.db2.gz FLZIQVMUPPIBSW-SJORKVTESA-N 1 3 346.519 2.791 20 0 EFADHO CCCCN(CC)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000755051427 575534946 /nfs/dbraw/zinc/53/49/46/575534946.db2.gz OIOXGQAKPROBHG-UHFFFAOYSA-N 1 3 346.519 2.889 20 0 EFADHO CN(c1ccccc1CNCCOC1CCC1)C1CC[NH+](C)CC1 ZINC000759819279 575941051 /nfs/dbraw/zinc/94/10/51/575941051.db2.gz INPCQFLAAUSJCT-UHFFFAOYSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=S)NCC1CC[NH+](C)CC1 ZINC000760491881 576033767 /nfs/dbraw/zinc/03/37/67/576033767.db2.gz QMFBWJSUUNZLLC-UHFFFAOYSA-N 1 3 334.533 2.685 20 0 EFADHO CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000762545448 576311772 /nfs/dbraw/zinc/31/17/72/576311772.db2.gz DCSAIRGSKJATCC-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000763040595 576356251 /nfs/dbraw/zinc/35/62/51/576356251.db2.gz NPFIITQMVRRCLC-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000763040595 576356253 /nfs/dbraw/zinc/35/62/53/576356253.db2.gz NPFIITQMVRRCLC-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673193 576386233 /nfs/dbraw/zinc/38/62/33/576386233.db2.gz FKOGYQULDAAVRL-IBGZPJMESA-N 1 3 342.483 2.926 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763673193 576386236 /nfs/dbraw/zinc/38/62/36/576386236.db2.gz FKOGYQULDAAVRL-IBGZPJMESA-N 1 3 342.483 2.926 20 0 EFADHO CC[N@H+](CCC1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1)CC1CC1 ZINC000763737977 576394388 /nfs/dbraw/zinc/39/43/88/576394388.db2.gz TUSUDLSVRPPQQE-GOSISDBHSA-N 1 3 334.504 2.916 20 0 EFADHO CC[N@@H+](CCC1CCN(C[C@H]2CC3(CC3)C(=O)O2)CC1)CC1CC1 ZINC000763737977 576394392 /nfs/dbraw/zinc/39/43/92/576394392.db2.gz TUSUDLSVRPPQQE-GOSISDBHSA-N 1 3 334.504 2.916 20 0 EFADHO CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@H](C)C1CC[NH+](C)CC1 ZINC000764462912 576460363 /nfs/dbraw/zinc/46/03/63/576460363.db2.gz HHLJHPCZWYFFPK-YLJYHZDGSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)N(CC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C(C)C ZINC000764589441 576476027 /nfs/dbraw/zinc/47/60/27/576476027.db2.gz LUHWJDNESQVAIZ-FPOVZHCZSA-N 1 3 347.547 2.984 20 0 EFADHO C[C@H](CN[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000765118370 577008775 /nfs/dbraw/zinc/00/87/75/577008775.db2.gz BWXSUSPXQSMKOW-SFHLNBCPSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](C[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)CN1CCCC1 ZINC000765118370 577008777 /nfs/dbraw/zinc/00/87/77/577008777.db2.gz BWXSUSPXQSMKOW-SFHLNBCPSA-N 1 3 345.531 2.597 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505459 577048044 /nfs/dbraw/zinc/04/80/44/577048044.db2.gz VEZIRLWKICVRIJ-OAHLLOKOSA-N 1 3 332.366 2.693 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000765505458 577048122 /nfs/dbraw/zinc/04/81/22/577048122.db2.gz VEZIRLWKICVRIJ-HNNXBMFYSA-N 1 3 332.366 2.693 20 0 EFADHO CCOc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000765947131 577091108 /nfs/dbraw/zinc/09/11/08/577091108.db2.gz UMTWCXOXWXBSRN-AEFFLSMTSA-N 1 3 331.504 2.904 20 0 EFADHO CCOc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000765947133 577091131 /nfs/dbraw/zinc/09/11/31/577091131.db2.gz UMTWCXOXWXBSRN-FUHWJXTLSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cnn(-c2ccccc2)c1 ZINC000766458001 577152513 /nfs/dbraw/zinc/15/25/13/577152513.db2.gz UGCPBBOHMACEEH-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1sccc1Br ZINC000397576332 577281142 /nfs/dbraw/zinc/28/11/42/577281142.db2.gz CLFNWGAAGVMSKQ-JTQLQIEISA-N 1 3 333.295 2.618 20 0 EFADHO CC[NH+](CC)CCOCCNCc1ccc2c(c1)COC(C)(C)O2 ZINC000769554037 577372193 /nfs/dbraw/zinc/37/21/93/577372193.db2.gz MTWVUUOUKUOZPV-UHFFFAOYSA-N 1 3 336.476 2.780 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000771914153 581258439 /nfs/dbraw/zinc/25/84/39/581258439.db2.gz MYCMSSYSZGKHJE-MRXNPFEDSA-N 1 3 346.519 2.934 20 0 EFADHO CC[NH+](CC)CCOC(=O)C1CCN(c2cccc(Cl)c2)C1=O ZINC000772160661 581290595 /nfs/dbraw/zinc/29/05/95/581290595.db2.gz QNIDLNBOCGPFOK-OAHLLOKOSA-N 1 3 338.835 2.578 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000772239687 581298365 /nfs/dbraw/zinc/29/83/65/581298365.db2.gz FCCDTXUMXNRWRN-KRWDZBQOSA-N 1 3 333.520 2.786 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000773099870 581396366 /nfs/dbraw/zinc/39/63/66/581396366.db2.gz CMOZRSRRBAQTET-DZFGPLHGSA-N 1 3 346.515 2.547 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@]2(O)CCc3ccccc32)[C@@H](C)C1 ZINC000773099870 581396368 /nfs/dbraw/zinc/39/63/68/581396368.db2.gz CMOZRSRRBAQTET-DZFGPLHGSA-N 1 3 346.515 2.547 20 0 EFADHO C[NH+](C)CCCCCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821584486 607477010 /nfs/dbraw/zinc/47/70/10/607477010.db2.gz GMFXYYMPCNSKSK-UHFFFAOYSA-N 1 3 334.443 2.608 20 0 EFADHO C[NH+](C)CCCCCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821584486 607477012 /nfs/dbraw/zinc/47/70/12/607477012.db2.gz GMFXYYMPCNSKSK-UHFFFAOYSA-N 1 3 334.443 2.608 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000700799274 1250184513 /nfs/dbraw/zinc/18/45/13/1250184513.db2.gz HVDPKLQCSNKNAU-PMPSAXMXSA-N 1 3 339.524 3.000 20 0 EFADHO CC[C@]1(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC[NH2+]C1 ZINC000398129347 1250193275 /nfs/dbraw/zinc/19/32/75/1250193275.db2.gz JBOWFOPBWFCVHC-QUCCMNQESA-N 1 3 331.504 2.649 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929020 1250349632 /nfs/dbraw/zinc/34/96/32/1250349632.db2.gz KLNVFSGBLRQASO-OLZOCXBDSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000314929020 1250349639 /nfs/dbraw/zinc/34/96/39/1250349639.db2.gz KLNVFSGBLRQASO-OLZOCXBDSA-N 1 3 347.286 2.665 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001753900887 1247871682 /nfs/dbraw/zinc/87/16/82/1247871682.db2.gz CNKUNGPDJFKOIY-QWHCGFSZSA-N 1 3 336.307 2.520 20 0 EFADHO c1[nH]nc2c1[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000850514051 1250518466 /nfs/dbraw/zinc/51/84/66/1250518466.db2.gz KZZZNGKHAPZTIO-GOSISDBHSA-N 1 3 325.460 2.684 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704449029 1250859848 /nfs/dbraw/zinc/85/98/48/1250859848.db2.gz DDFYGEXLZLVFOJ-UYAOXDASSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000704449029 1250859852 /nfs/dbraw/zinc/85/98/52/1250859852.db2.gz DDFYGEXLZLVFOJ-UYAOXDASSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716586513 1251361211 /nfs/dbraw/zinc/36/12/11/1251361211.db2.gz JUCQYESKZLYLFN-SQWLQELKSA-N 1 3 325.497 2.610 20 0 EFADHO CC(C)[C@H](CN)C[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC000717020008 1251365004 /nfs/dbraw/zinc/36/50/04/1251365004.db2.gz HBYWPIKRPPZFSE-KGLIPLIRSA-N 1 3 349.466 2.699 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)C1CC1 ZINC001029970025 1251398639 /nfs/dbraw/zinc/39/86/39/1251398639.db2.gz IPULIGAYKKHWKW-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)C1CC1 ZINC001029970025 1251398655 /nfs/dbraw/zinc/39/86/55/1251398655.db2.gz IPULIGAYKKHWKW-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCCCF ZINC001752818934 1251496006 /nfs/dbraw/zinc/49/60/06/1251496006.db2.gz MEQAUXXEZGCCHF-ROUUACIJSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCCCF ZINC001752818934 1251496013 /nfs/dbraw/zinc/49/60/13/1251496013.db2.gz MEQAUXXEZGCCHF-ROUUACIJSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000724032735 1251530079 /nfs/dbraw/zinc/53/00/79/1251530079.db2.gz WGKBCKKORBPVJV-HZPDHXFCSA-N 1 3 325.497 2.755 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003971530 1265618052 /nfs/dbraw/zinc/61/80/52/1265618052.db2.gz QQDXKWHDTKAGNG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003971530 1265618060 /nfs/dbraw/zinc/61/80/60/1265618060.db2.gz QQDXKWHDTKAGNG-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089401939 1252048704 /nfs/dbraw/zinc/04/87/04/1252048704.db2.gz ZRBSCCDLAFELKK-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089401939 1252048711 /nfs/dbraw/zinc/04/87/11/1252048711.db2.gz ZRBSCCDLAFELKK-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC001106908358 1252316212 /nfs/dbraw/zinc/31/62/12/1252316212.db2.gz XCKDUTYTPRJDCW-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001106909438 1252320442 /nfs/dbraw/zinc/32/04/42/1252320442.db2.gz IYCVRXIRZQHDCL-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001089735083 1252339168 /nfs/dbraw/zinc/33/91/68/1252339168.db2.gz FQGIZMLGZHGJSD-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001089735083 1252339175 /nfs/dbraw/zinc/33/91/75/1252339175.db2.gz FQGIZMLGZHGJSD-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001493769656 1252379367 /nfs/dbraw/zinc/37/93/67/1252379367.db2.gz PYIBPPIINYNSEM-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001106910722 1252426563 /nfs/dbraw/zinc/42/65/63/1252426563.db2.gz LUHFLHKFZAAUSE-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)CCC1 ZINC001484395501 1252517750 /nfs/dbraw/zinc/51/77/50/1252517750.db2.gz YJSDPHGFRZSLRB-IYARVYRRSA-N 1 3 335.536 2.783 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001484724049 1252808851 /nfs/dbraw/zinc/80/88/51/1252808851.db2.gz SXNNQIWCPAAKOK-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(CN(C)CCCN(C)C(=O)C23CCC[NH+]2CCC3)cs1 ZINC001484748501 1252906536 /nfs/dbraw/zinc/90/65/36/1252906536.db2.gz JEIFQMDYBCRXRZ-UHFFFAOYSA-N 1 3 349.544 2.965 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000995798888 1254708450 /nfs/dbraw/zinc/70/84/50/1254708450.db2.gz PRCUJMWKSYDOIP-DLBZAZTESA-N 1 3 349.544 2.948 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995878291 1254810797 /nfs/dbraw/zinc/81/07/97/1254810797.db2.gz FAJLLLQAZIYGQQ-RBUKOAKNSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)cs1 ZINC000995892707 1254813929 /nfs/dbraw/zinc/81/39/29/1254813929.db2.gz FZUFGHUFUYZDBH-IRXDYDNUSA-N 1 3 349.544 2.723 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CC1 ZINC000995892861 1254814496 /nfs/dbraw/zinc/81/44/96/1254814496.db2.gz GITGZEDRIHONCJ-IAGOWNOFSA-N 1 3 335.536 2.589 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)CC2(C)C)c1 ZINC000995892975 1254814733 /nfs/dbraw/zinc/81/47/33/1254814733.db2.gz GPNBCTINLDHGCN-RBUKOAKNSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)CC1(C)C ZINC000995896609 1254822123 /nfs/dbraw/zinc/82/21/23/1254822123.db2.gz PFVGRAPXGLDOAY-MOPGFXCFSA-N 1 3 343.515 2.662 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1)C1CCC1 ZINC000995918259 1254840735 /nfs/dbraw/zinc/84/07/35/1254840735.db2.gz NEQLYVXZFMZACT-MRXNPFEDSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)cc1 ZINC000995917733 1254841045 /nfs/dbraw/zinc/84/10/45/1254841045.db2.gz MKGJPBSQPQZWJO-IBGZPJMESA-N 1 3 343.515 2.806 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1)C1CCC1 ZINC000995918250 1254842178 /nfs/dbraw/zinc/84/21/78/1254842178.db2.gz NEQLYVXZFMZACT-INIZCTEOSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)N(C)C ZINC000995929345 1254847830 /nfs/dbraw/zinc/84/78/30/1254847830.db2.gz VRSHUUOKULQZAZ-MSOLQXFVSA-N 1 3 349.494 2.739 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000995929330 1254848278 /nfs/dbraw/zinc/84/82/78/1254848278.db2.gz VPVYCRYJZJLCJA-HOTGVXAUSA-N 1 3 337.533 2.661 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000995945039 1254861985 /nfs/dbraw/zinc/86/19/85/1254861985.db2.gz CNGHZMMDPLKCCH-IAGOWNOFSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C(C)(C)C1)N(C)C ZINC000995952754 1254879767 /nfs/dbraw/zinc/87/97/67/1254879767.db2.gz RWMJDTUMHZDDRA-QZTJIDSGSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000995954863 1254881075 /nfs/dbraw/zinc/88/10/75/1254881075.db2.gz XZBMOPCHZUXUKK-MOPGFXCFSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000996247265 1255125591 /nfs/dbraw/zinc/12/55/91/1255125591.db2.gz NGYQCUCHRBQRIV-QZTJIDSGSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)N(C)C ZINC000996249589 1255126766 /nfs/dbraw/zinc/12/67/66/1255126766.db2.gz RYFIEZMICOJYBF-QZTJIDSGSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1)N(C)C ZINC000996250193 1255126927 /nfs/dbraw/zinc/12/69/27/1255126927.db2.gz VPVYCRYJZJLCJA-HZPDHXFCSA-N 1 3 337.533 2.661 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996250765 1255128493 /nfs/dbraw/zinc/12/84/93/1255128493.db2.gz XNPVFWPEHJUFRK-RBUKOAKNSA-N 1 3 345.531 2.908 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000996299901 1255184612 /nfs/dbraw/zinc/18/46/12/1255184612.db2.gz GNXFOZHHXCABOY-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996300451 1255185340 /nfs/dbraw/zinc/18/53/40/1255185340.db2.gz MLBCPZLPMLURQM-ZBFHGGJFSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C(C)(C)C1 ZINC000996302663 1255188390 /nfs/dbraw/zinc/18/83/90/1255188390.db2.gz YOPGEQHVNUOCJN-NVXWUHKLSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCc2cccs2)C(C)(C)C1 ZINC000996302662 1255188641 /nfs/dbraw/zinc/18/86/41/1255188641.db2.gz YOPGEQHVNUOCJN-DOTOQJQBSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2C)C(C)(C)C1)N(C)C ZINC000996315672 1255198035 /nfs/dbraw/zinc/19/80/35/1255198035.db2.gz RZPZAMVPBOYERL-ROUUACIJSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C(C)(C)C1)N(C)C ZINC000996315648 1255198248 /nfs/dbraw/zinc/19/82/48/1255198248.db2.gz RMGRXVUWWCVIAF-OALUTQOASA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996356207 1255243028 /nfs/dbraw/zinc/24/30/28/1255243028.db2.gz QBWXBGCVEWMNPF-SFHVURJKSA-N 1 3 340.471 2.541 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996379313 1255260740 /nfs/dbraw/zinc/26/07/40/1255260740.db2.gz KOYVGPXKLLYYOS-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616765 1255574849 /nfs/dbraw/zinc/57/48/49/1255574849.db2.gz UFTWGRVWSQEYTA-RDJZCZTQSA-N 1 3 349.906 2.618 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616765 1255574857 /nfs/dbraw/zinc/57/48/57/1255574857.db2.gz UFTWGRVWSQEYTA-RDJZCZTQSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996664092 1255681813 /nfs/dbraw/zinc/68/18/13/1255681813.db2.gz FEMLBHAPHIJOBA-UHFFFAOYSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996667083 1255685003 /nfs/dbraw/zinc/68/50/03/1255685003.db2.gz WPIWWNXZTRRVNS-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996665518 1255701557 /nfs/dbraw/zinc/70/15/57/1255701557.db2.gz MKRPAQBAUSUQHA-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1cccc(F)c1 ZINC000996665561 1255702139 /nfs/dbraw/zinc/70/21/39/1255702139.db2.gz MOJVFDFVCNEZPV-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000996669441 1255713337 /nfs/dbraw/zinc/71/33/37/1255713337.db2.gz FUCQCMXFAKAGNP-MOPGFXCFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC1(C)C ZINC000996669510 1255713500 /nfs/dbraw/zinc/71/35/00/1255713500.db2.gz GKMMKDIVLIZKJY-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1)C1CC1 ZINC000996674131 1255714089 /nfs/dbraw/zinc/71/40/89/1255714089.db2.gz AAZRWZSXDAZXLX-SFHVURJKSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c(C)c1 ZINC000996675169 1255723325 /nfs/dbraw/zinc/72/33/25/1255723325.db2.gz FKRZUDRMYIYTQQ-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996675815 1255723395 /nfs/dbraw/zinc/72/33/95/1255723395.db2.gz IIEHYORYVRCPGZ-IRXDYDNUSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1cccc(F)c1 ZINC000996676640 1255725906 /nfs/dbraw/zinc/72/59/06/1255725906.db2.gz HQWNCZMRGWHQOC-LIRRHRJNSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c(C)s1 ZINC000996679098 1255731880 /nfs/dbraw/zinc/73/18/80/1255731880.db2.gz PXCBHNJPGHUVCQ-GOSISDBHSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996680947 1255734812 /nfs/dbraw/zinc/73/48/12/1255734812.db2.gz WZULKORBIUMIQL-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996689138 1255748618 /nfs/dbraw/zinc/74/86/18/1255748618.db2.gz UOLKWHUELDZZLV-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996690417 1255751541 /nfs/dbraw/zinc/75/15/41/1255751541.db2.gz YBLPTTVYXNRYPC-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000996691164 1255753509 /nfs/dbraw/zinc/75/35/09/1255753509.db2.gz HWHCXJVTPJRVPB-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cs1 ZINC000996698140 1255768935 /nfs/dbraw/zinc/76/89/35/1255768935.db2.gz UDYXXRNQHRWMCE-KRWDZBQOSA-N 1 3 337.533 2.723 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1)N(C)C ZINC000996711881 1255815136 /nfs/dbraw/zinc/81/51/36/1255815136.db2.gz MSWBZIWOCRZQHW-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1)N(C)C ZINC000996712438 1255817743 /nfs/dbraw/zinc/81/77/43/1255817743.db2.gz ORUMMSCMMAKMPO-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO C[NH+](C)C1(CC(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)CCCC1 ZINC001107486343 1255956990 /nfs/dbraw/zinc/95/69/90/1255956990.db2.gz BHTMZQZIAQXBBC-SJLPKXTDSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2)N1CCCC1 ZINC001107494861 1255975618 /nfs/dbraw/zinc/97/56/18/1255975618.db2.gz CXHDVYAHMGOEDJ-VQIMIIECSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2)N1CCCC1 ZINC001107494861 1255975622 /nfs/dbraw/zinc/97/56/22/1255975622.db2.gz CXHDVYAHMGOEDJ-VQIMIIECSA-N 1 3 339.499 2.581 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001107547474 1256109724 /nfs/dbraw/zinc/10/97/24/1256109724.db2.gz OVJLHJUPKBUHPB-SWTSJAEWSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001107547474 1256109728 /nfs/dbraw/zinc/10/97/28/1256109728.db2.gz OVJLHJUPKBUHPB-SWTSJAEWSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)[NH+]1CCCCCC1 ZINC001107567161 1256155547 /nfs/dbraw/zinc/15/55/47/1256155547.db2.gz LWUDXLJSWFKEPF-YQVWRLOYSA-N 1 3 339.499 2.581 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107582527 1256182226 /nfs/dbraw/zinc/18/22/26/1256182226.db2.gz IMMQNKFLKSXNMW-SMRJSYMMSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107582527 1256182232 /nfs/dbraw/zinc/18/22/32/1256182232.db2.gz IMMQNKFLKSXNMW-SMRJSYMMSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107646760 1256370611 /nfs/dbraw/zinc/37/06/11/1256370611.db2.gz UYXKJUHYGGFAHK-SMRJSYMMSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107646760 1256370613 /nfs/dbraw/zinc/37/06/13/1256370613.db2.gz UYXKJUHYGGFAHK-SMRJSYMMSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2 ZINC001107646754 1256371455 /nfs/dbraw/zinc/37/14/55/1256371455.db2.gz UROVVEJOSFQHGQ-GDBMZVCRSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2 ZINC001107646754 1256371461 /nfs/dbraw/zinc/37/14/61/1256371461.db2.gz UROVVEJOSFQHGQ-GDBMZVCRSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996964615 1256580516 /nfs/dbraw/zinc/58/05/16/1256580516.db2.gz LJUVQQBUMLKHCY-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]CCc2ccccc2F)CC1)N(C)C ZINC000996965215 1256581409 /nfs/dbraw/zinc/58/14/09/1256581409.db2.gz NHHOWIJXMZIBCZ-LJQANCHMSA-N 1 3 349.494 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2)CC1)N(C)C ZINC000996966144 1256582788 /nfs/dbraw/zinc/58/27/88/1256582788.db2.gz QKSJPKBWVBDTBR-QFBILLFUSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996959408 1256590925 /nfs/dbraw/zinc/59/09/25/1256590925.db2.gz AHIWGQJPPVWJTC-LJQANCHMSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000996964315 1256596264 /nfs/dbraw/zinc/59/62/64/1256596264.db2.gz IJLWULHOHPONKP-GOEBONIOSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000996995760 1256645275 /nfs/dbraw/zinc/64/52/75/1256645275.db2.gz QFJBHRZDTBFSHP-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1cccc(F)c1 ZINC000996998514 1256652489 /nfs/dbraw/zinc/65/24/89/1256652489.db2.gz KFNSGRPEKBFAEZ-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996996283 1256661438 /nfs/dbraw/zinc/66/14/38/1256661438.db2.gz XJWVBQLPTQVRHI-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)cs1 ZINC000996996832 1256662921 /nfs/dbraw/zinc/66/29/21/1256662921.db2.gz ALZADTDLTCQLRR-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]CCC3CC3)CC2)C1 ZINC000997004572 1256664641 /nfs/dbraw/zinc/66/46/41/1256664641.db2.gz FEJSAVGNHPYDRI-IBGZPJMESA-N 1 3 339.499 2.580 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000997007310 1256671140 /nfs/dbraw/zinc/67/11/40/1256671140.db2.gz PVWLSQDBQICIIL-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC000997008637 1256674468 /nfs/dbraw/zinc/67/44/68/1256674468.db2.gz AJAKEQGECCPMAT-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC000997008542 1256674788 /nfs/dbraw/zinc/67/47/88/1256674788.db2.gz VIMDEBGEGQHNSO-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1cccc(F)c1 ZINC000997009286 1256681324 /nfs/dbraw/zinc/68/13/24/1256681324.db2.gz ZJDGFAXELWIHAE-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1)N(C)C ZINC000997009857 1256681541 /nfs/dbraw/zinc/68/15/41/1256681541.db2.gz ORUMMSCMMAKMPO-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C(C)C)n2)CC1)N(C)C ZINC000997011303 1256682999 /nfs/dbraw/zinc/68/29/99/1256682999.db2.gz XZFQJRVHRHHCPY-IBGZPJMESA-N 1 3 346.519 2.626 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1)N(C)C ZINC000997011643 1256683494 /nfs/dbraw/zinc/68/34/94/1256683494.db2.gz CCTVJNWYDVMKQK-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1)N(C)C ZINC000997014801 1256688074 /nfs/dbraw/zinc/68/80/74/1256688074.db2.gz KLGBVISLSSHZOI-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1cccc(Cl)c1 ZINC000997036534 1256720234 /nfs/dbraw/zinc/72/02/34/1256720234.db2.gz MOHUCQATNVYDRG-ZDUSSCGKSA-N 1 3 346.862 2.947 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997036587 1256721783 /nfs/dbraw/zinc/72/17/83/1256721783.db2.gz OBHZTXRXHAHBEA-OAHLLOKOSA-N 1 3 326.444 2.602 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997043335 1256741522 /nfs/dbraw/zinc/74/15/22/1256741522.db2.gz YOPBHHJASOSOAK-OAHLLOKOSA-N 1 3 326.444 2.602 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032400698 1257088365 /nfs/dbraw/zinc/08/83/65/1257088365.db2.gz RKVWAAPRRHLCJJ-FHWLQOOXSA-N 1 3 345.531 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032400698 1257088372 /nfs/dbraw/zinc/08/83/72/1257088372.db2.gz RKVWAAPRRHLCJJ-FHWLQOOXSA-N 1 3 345.531 2.725 20 0 EFADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001089905287 1257261762 /nfs/dbraw/zinc/26/17/62/1257261762.db2.gz ONNGDPUHRBIVDC-MUGJNUQGSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001089905287 1257261769 /nfs/dbraw/zinc/26/17/69/1257261769.db2.gz ONNGDPUHRBIVDC-MUGJNUQGSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905291 1257262987 /nfs/dbraw/zinc/26/29/87/1257262987.db2.gz ONNGDPUHRBIVDC-NMLBUPMWSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1cccc(CN(C)C)c1 ZINC001089905291 1257262993 /nfs/dbraw/zinc/26/29/93/1257262993.db2.gz ONNGDPUHRBIVDC-NMLBUPMWSA-N 1 3 341.499 2.551 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccccc2)CC1 ZINC000997366715 1257456688 /nfs/dbraw/zinc/45/66/88/1257456688.db2.gz KADJQKOATHJILA-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032434038 1257476912 /nfs/dbraw/zinc/47/69/12/1257476912.db2.gz YEXYGTZTQPMXEQ-BZSNNMDCSA-N 1 3 333.520 2.582 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1 ZINC001032434038 1257476918 /nfs/dbraw/zinc/47/69/18/1257476918.db2.gz YEXYGTZTQPMXEQ-BZSNNMDCSA-N 1 3 333.520 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032433998 1257477519 /nfs/dbraw/zinc/47/75/19/1257477519.db2.gz XCEVIOGFDSOPAB-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032433998 1257477523 /nfs/dbraw/zinc/47/75/23/1257477523.db2.gz XCEVIOGFDSOPAB-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032433998 1257477528 /nfs/dbraw/zinc/47/75/28/1257477528.db2.gz XCEVIOGFDSOPAB-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032433998 1257477532 /nfs/dbraw/zinc/47/75/32/1257477532.db2.gz XCEVIOGFDSOPAB-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032445558 1257481893 /nfs/dbraw/zinc/48/18/93/1257481893.db2.gz KJXUPQFTQSJSMR-UFYCRDLUSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCC1 ZINC001032445558 1257481897 /nfs/dbraw/zinc/48/18/97/1257481897.db2.gz KJXUPQFTQSJSMR-UFYCRDLUSA-N 1 3 345.531 2.869 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032456372 1257520504 /nfs/dbraw/zinc/52/05/04/1257520504.db2.gz OEXBARMIQFOXKX-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032456372 1257520508 /nfs/dbraw/zinc/52/05/08/1257520508.db2.gz OEXBARMIQFOXKX-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040430279 1257690237 /nfs/dbraw/zinc/69/02/37/1257690237.db2.gz AAFVTIXUIIJEQC-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040430279 1257690245 /nfs/dbraw/zinc/69/02/45/1257690245.db2.gz AAFVTIXUIIJEQC-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032487884 1257810923 /nfs/dbraw/zinc/81/09/23/1257810923.db2.gz JAWNGRZRJJDHSL-NJAFHUGGSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032487884 1257810937 /nfs/dbraw/zinc/81/09/37/1257810937.db2.gz JAWNGRZRJJDHSL-NJAFHUGGSA-N 1 3 335.536 2.971 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC001203459271 1257946656 /nfs/dbraw/zinc/94/66/56/1257946656.db2.gz BMRWJBIHWKNAES-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC001203459413 1258064134 /nfs/dbraw/zinc/06/41/34/1258064134.db2.gz DGPKORUZQLTFRQ-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001203459418 1258065353 /nfs/dbraw/zinc/06/53/53/1258065353.db2.gz DJMOXEBWSJLWTP-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997605324 1258100707 /nfs/dbraw/zinc/10/07/07/1258100707.db2.gz GEWQLQRUHOKJFW-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997607742 1258104294 /nfs/dbraw/zinc/10/42/94/1258104294.db2.gz QPKJSKWAQDUHHQ-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000997611454 1258113226 /nfs/dbraw/zinc/11/32/26/1258113226.db2.gz FRZBJRDRTJZXCQ-HNAYVOBHSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997611757 1258113267 /nfs/dbraw/zinc/11/32/67/1258113267.db2.gz HFDSGECZCOGNDD-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000997613574 1258116247 /nfs/dbraw/zinc/11/62/47/1258116247.db2.gz OLMFTBMQXNSLNA-IBGZPJMESA-N 1 3 347.547 2.879 20 0 EFADHO Cn1nnc2cc(C[NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)ccc21 ZINC001649096276 1258365650 /nfs/dbraw/zinc/36/56/50/1258365650.db2.gz QEQQKVRAVPLJGV-IBGZPJMESA-N 1 3 349.482 2.623 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001032557371 1258485355 /nfs/dbraw/zinc/48/53/55/1258485355.db2.gz HWPPUNXLJDWECS-IRXDYDNUSA-N 1 3 333.520 2.582 20 0 EFADHO CC1CCC(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000997831496 1258505774 /nfs/dbraw/zinc/50/57/74/1258505774.db2.gz UHQOCADHAREGEU-LBXVMSDZSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCN(Cc2ccsc2)CC1 ZINC000997836866 1258512063 /nfs/dbraw/zinc/51/20/63/1258512063.db2.gz NKAWRJSDIFWVBB-HNNXBMFYSA-N 1 3 347.528 2.561 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC000997840622 1258515924 /nfs/dbraw/zinc/51/59/24/1258515924.db2.gz TWOZREHPISIJBD-SFHVURJKSA-N 1 3 337.552 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001203460811 1258555554 /nfs/dbraw/zinc/55/55/54/1258555554.db2.gz XIZZURDXEYSGJD-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)CC[NH+]1CCC(NC(=O)c2ccccc2CN(C)C)CC1 ZINC001004201037 1266207407 /nfs/dbraw/zinc/20/74/07/1266207407.db2.gz IBYWGQKHVOZHIQ-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000997949911 1258827477 /nfs/dbraw/zinc/82/74/77/1258827477.db2.gz QAOFGBSJPQUUDI-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000997949911 1258827487 /nfs/dbraw/zinc/82/74/87/1258827487.db2.gz QAOFGBSJPQUUDI-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCCC1 ZINC001115729659 1258953316 /nfs/dbraw/zinc/95/33/16/1258953316.db2.gz OMEBBTCMMVZBAK-SFHVURJKSA-N 1 3 327.488 2.628 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCCCC3)CC2)C1 ZINC000998080946 1259079360 /nfs/dbraw/zinc/07/93/60/1259079360.db2.gz GDVQUXIJTBDOPH-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000998082402 1259084774 /nfs/dbraw/zinc/08/47/74/1259084774.db2.gz OXPLHDSTYGZVSR-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC000998083027 1259085952 /nfs/dbraw/zinc/08/59/52/1259085952.db2.gz SWGCBNZDGPBXRC-KRWDZBQOSA-N 1 3 333.520 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000998084064 1259087013 /nfs/dbraw/zinc/08/70/13/1259087013.db2.gz YMCRQZLZWYGDDF-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001004206438 1266233623 /nfs/dbraw/zinc/23/36/23/1266233623.db2.gz LNYSOATWWOVWPD-IYBDPMFKSA-N 1 3 349.544 2.744 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC000998087367 1259091997 /nfs/dbraw/zinc/09/19/97/1259091997.db2.gz VJQJXMYIOUMVBX-KRWDZBQOSA-N 1 3 337.533 2.725 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)s1 ZINC000998118318 1259128527 /nfs/dbraw/zinc/12/85/27/1259128527.db2.gz GOIZVBPAWUXDFN-UHFFFAOYSA-N 1 3 346.500 2.659 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)CC1 ZINC001032602971 1259163848 /nfs/dbraw/zinc/16/38/48/1259163848.db2.gz JDOHLOSMWQJPPK-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000998275421 1259357810 /nfs/dbraw/zinc/35/78/10/1259357810.db2.gz UWUUGVHLMWHQFS-FQEVSTJZSA-N 1 3 341.499 2.598 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032626934 1259425031 /nfs/dbraw/zinc/42/50/31/1259425031.db2.gz OYZWCXZGSHOLIX-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032626934 1259425036 /nfs/dbraw/zinc/42/50/36/1259425036.db2.gz OYZWCXZGSHOLIX-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1 ZINC001032627191 1259426342 /nfs/dbraw/zinc/42/63/42/1259426342.db2.gz RFQWEODPHILNBG-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032627191 1259426347 /nfs/dbraw/zinc/42/63/47/1259426347.db2.gz RFQWEODPHILNBG-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032628285 1259431490 /nfs/dbraw/zinc/43/14/90/1259431490.db2.gz WBPLZEFXFZWEKP-NEWSRXKRSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC3(CC3)CC2)C1 ZINC001032628285 1259431495 /nfs/dbraw/zinc/43/14/95/1259431495.db2.gz WBPLZEFXFZWEKP-NEWSRXKRSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCCC2)C1 ZINC001032628408 1259436428 /nfs/dbraw/zinc/43/64/28/1259436428.db2.gz ZQQDISALZPSVJG-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCCCC2)C1 ZINC001032628408 1259436433 /nfs/dbraw/zinc/43/64/33/1259436433.db2.gz ZQQDISALZPSVJG-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000998547825 1259671789 /nfs/dbraw/zinc/67/17/89/1259671789.db2.gz AVXMUFSTBAKRNT-MHJFOBGBSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998549058 1259674703 /nfs/dbraw/zinc/67/47/03/1259674703.db2.gz JZCNVKLEEFTMHR-DAWZGUTISA-N 1 3 349.906 2.822 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036556040 1259675845 /nfs/dbraw/zinc/67/58/45/1259675845.db2.gz FAJABBQCOBGRQA-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]Cc1ccsc1 ZINC001036556994 1259677463 /nfs/dbraw/zinc/67/74/63/1259677463.db2.gz VOZWXVXAPYNKFX-YJBOKZPZSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C[NH2+]CC1CCC1 ZINC001036578618 1259731031 /nfs/dbraw/zinc/73/10/31/1259731031.db2.gz ZOCAWTCWDFDZEA-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143603 1259812796 /nfs/dbraw/zinc/81/27/96/1259812796.db2.gz IYZVFQKMMBVHGH-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1C[C@]2(CC1=O)CCCCN2C[C@H]1CCC[N@H+](C)C1 ZINC001273143603 1259812797 /nfs/dbraw/zinc/81/27/97/1259812797.db2.gz IYZVFQKMMBVHGH-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC000711020387 1259927883 /nfs/dbraw/zinc/92/78/83/1259927883.db2.gz GGQPPJNOENOURQ-BHIYHBOVSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998864714 1260027350 /nfs/dbraw/zinc/02/73/50/1260027350.db2.gz AGFLJCJYKYTNTK-FAFZWHIHSA-N 1 3 347.478 2.779 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998864714 1260027361 /nfs/dbraw/zinc/02/73/61/1260027361.db2.gz AGFLJCJYKYTNTK-FAFZWHIHSA-N 1 3 347.478 2.779 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946517884 1260248317 /nfs/dbraw/zinc/24/83/17/1260248317.db2.gz KWMNQSBRRCPNKB-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946517884 1260248321 /nfs/dbraw/zinc/24/83/21/1260248321.db2.gz KWMNQSBRRCPNKB-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946517861 1260248862 /nfs/dbraw/zinc/24/88/62/1260248862.db2.gz JZNBPMAJAGTJNE-HSALFYBXSA-N 1 3 345.531 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2CC1 ZINC000946517861 1260248868 /nfs/dbraw/zinc/24/88/68/1260248868.db2.gz JZNBPMAJAGTJNE-HSALFYBXSA-N 1 3 345.531 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1 ZINC000946518559 1260297225 /nfs/dbraw/zinc/29/72/25/1260297225.db2.gz WXWDLROFECNQHJ-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CC1 ZINC000946518559 1260297233 /nfs/dbraw/zinc/29/72/33/1260297233.db2.gz WXWDLROFECNQHJ-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC(NCc2ccccc2F)C1 ZINC000999224515 1260358709 /nfs/dbraw/zinc/35/87/09/1260358709.db2.gz QIYFZRGYQUFOLB-UHFFFAOYSA-N 1 3 347.478 2.779 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999308806 1260511082 /nfs/dbraw/zinc/51/10/82/1260511082.db2.gz RSACRYOHOLDAHP-IEBWSBKVSA-N 1 3 347.478 2.781 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999308806 1260511086 /nfs/dbraw/zinc/51/10/86/1260511086.db2.gz RSACRYOHOLDAHP-IEBWSBKVSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC000999355698 1260538637 /nfs/dbraw/zinc/53/86/37/1260538637.db2.gz VSYRSNSCXAIGKF-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999346900 1260549928 /nfs/dbraw/zinc/54/99/28/1260549928.db2.gz HHVMRFJOTOOKDL-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999346853 1260549956 /nfs/dbraw/zinc/54/99/56/1260549956.db2.gz GSSMQTVUJBGZFS-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999346854 1260550260 /nfs/dbraw/zinc/55/02/60/1260550260.db2.gz GSSMQTVUJBGZFS-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999348804 1260552798 /nfs/dbraw/zinc/55/27/98/1260552798.db2.gz QKRONNGDAGMONJ-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000999378004 1260560749 /nfs/dbraw/zinc/56/07/49/1260560749.db2.gz XJYDZTYWQBJGHC-MSOLQXFVSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000999378016 1260560795 /nfs/dbraw/zinc/56/07/95/1260560795.db2.gz XJYDZTYWQBJGHC-QZTJIDSGSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999377642 1260561298 /nfs/dbraw/zinc/56/12/98/1260561298.db2.gz WPPASOGOFOVTHL-HKUYNNGSSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000999363027 1260565848 /nfs/dbraw/zinc/56/58/48/1260565848.db2.gz FFODHPFFEMLDLZ-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000999363021 1260565868 /nfs/dbraw/zinc/56/58/68/1260565868.db2.gz FFODHPFFEMLDLZ-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000999402006 1260595182 /nfs/dbraw/zinc/59/51/82/1260595182.db2.gz CRWBXBRWBHDMEM-APMMTJHUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000999404325 1260598153 /nfs/dbraw/zinc/59/81/53/1260598153.db2.gz VOQQYYPRRWAMLZ-PBPGXSGUSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000999405218 1260598907 /nfs/dbraw/zinc/59/89/07/1260598907.db2.gz DFRMQERDDKHBPJ-QHGAOEGBSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000999407346 1260600761 /nfs/dbraw/zinc/60/07/61/1260600761.db2.gz UIBLCWHJZASOMM-IVMQYODDSA-N 1 3 329.488 2.558 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC000999407735 1260602648 /nfs/dbraw/zinc/60/26/48/1260602648.db2.gz FTSMIIKOXYFUCM-PBPGXSGUSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CF)cc2)C1 ZINC000999407487 1260602770 /nfs/dbraw/zinc/60/27/70/1260602770.db2.gz VQRQEOLTUYGEEI-MNNVXMFVSA-N 1 3 347.478 2.719 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC000999407385 1260602813 /nfs/dbraw/zinc/60/28/13/1260602813.db2.gz UOCBZMIYWKPYND-NLNFPOJYSA-N 1 3 349.544 2.928 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccccc2F)C1)N(C)C ZINC000999426954 1260616236 /nfs/dbraw/zinc/61/62/36/1260616236.db2.gz APYADFQUDWEWCH-HKUYNNGSSA-N 1 3 349.494 2.535 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999426964 1260616997 /nfs/dbraw/zinc/61/69/97/1260616997.db2.gz AQXPLQLTIWIXDO-MOPGFXCFSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000999434507 1260622700 /nfs/dbraw/zinc/62/27/00/1260622700.db2.gz NLXYJXUPSAGMCJ-MOPGFXCFSA-N 1 3 349.494 2.823 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999435204 1260624042 /nfs/dbraw/zinc/62/40/42/1260624042.db2.gz QUGVCFVPWJSNSB-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000999468561 1260659840 /nfs/dbraw/zinc/65/98/40/1260659840.db2.gz GQSBYKPNPIVIMT-UHFFFAOYSA-N 1 3 348.397 2.669 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000999472634 1260663392 /nfs/dbraw/zinc/66/33/92/1260663392.db2.gz IMEPIERSZTZGQJ-KVWWFHCMSA-N 1 3 338.455 2.609 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC000999481165 1260677799 /nfs/dbraw/zinc/67/77/99/1260677799.db2.gz CHVRNWBAZZGKDJ-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCc2ccccc2F)C1 ZINC000999507853 1260696200 /nfs/dbraw/zinc/69/62/00/1260696200.db2.gz CHSIVXBFXHEACS-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000999488448 1260711138 /nfs/dbraw/zinc/71/11/38/1260711138.db2.gz FKJQGWLZNVARQE-IAGOWNOFSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC000999488443 1260711433 /nfs/dbraw/zinc/71/14/33/1260711433.db2.gz FKJQGWLZNVARQE-DLBZAZTESA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC000999489251 1260712253 /nfs/dbraw/zinc/71/22/53/1260712253.db2.gz JJTOPYUSVGAVKB-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033068844 1266359023 /nfs/dbraw/zinc/35/90/23/1266359023.db2.gz FEAIODTWCFSXRK-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033068844 1266359035 /nfs/dbraw/zinc/35/90/35/1266359035.db2.gz FEAIODTWCFSXRK-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033068844 1266359041 /nfs/dbraw/zinc/35/90/41/1266359041.db2.gz FEAIODTWCFSXRK-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033068844 1266359053 /nfs/dbraw/zinc/35/90/53/1266359053.db2.gz FEAIODTWCFSXRK-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)CC1 ZINC000999597354 1260760744 /nfs/dbraw/zinc/76/07/44/1260760744.db2.gz FHKGPSSBPPZPAL-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000999687055 1260835280 /nfs/dbraw/zinc/83/52/80/1260835280.db2.gz DWRIXJAFESUPJA-FAEJEUNOSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999687055 1260835285 /nfs/dbraw/zinc/83/52/85/1260835285.db2.gz DWRIXJAFESUPJA-FAEJEUNOSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CC(NCc2ccccc2Cl)C1 ZINC000999707620 1260869087 /nfs/dbraw/zinc/86/90/87/1260869087.db2.gz ISFSBUUAICFVEN-UHFFFAOYSA-N 1 3 347.890 2.515 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000999832689 1260944722 /nfs/dbraw/zinc/94/47/22/1260944722.db2.gz GWBIIFYNNDVGQP-UHFFFAOYSA-N 1 3 335.879 2.515 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000999832269 1260945027 /nfs/dbraw/zinc/94/50/27/1260945027.db2.gz BPKDSEUGBKFYDY-UHFFFAOYSA-N 1 3 341.908 2.576 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000999833702 1260945913 /nfs/dbraw/zinc/94/59/13/1260945913.db2.gz BVMWQXACQHWXEH-AFMYVXGZSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1)c1cccc(F)c1 ZINC000999833669 1260946329 /nfs/dbraw/zinc/94/63/29/1260946329.db2.gz OVGCFXXOWYTPLO-RWBZWWBESA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C2CC([NH2+]CCC3CC3)C2)c1 ZINC000999871619 1260962021 /nfs/dbraw/zinc/96/20/21/1260962021.db2.gz WMLKIYDQJICTCL-UHFFFAOYSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033071258 1266379588 /nfs/dbraw/zinc/37/95/88/1266379588.db2.gz YJMAWPHITMTUMN-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033071258 1266379600 /nfs/dbraw/zinc/37/96/00/1266379600.db2.gz YJMAWPHITMTUMN-QZTJIDSGSA-N 1 3 335.536 2.828 20 0 EFADHO CC1=CC[C@@H](CC[N@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862172 1261186017 /nfs/dbraw/zinc/18/60/17/1261186017.db2.gz LTDLQGFMXDVAJL-GHTZIAJQSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=CC[C@@H](CC[N@@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862172 1261186018 /nfs/dbraw/zinc/18/60/18/1261186018.db2.gz LTDLQGFMXDVAJL-GHTZIAJQSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033069866 1266392363 /nfs/dbraw/zinc/39/23/63/1266392363.db2.gz MILGWPUBHAKWAL-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033069866 1266392371 /nfs/dbraw/zinc/39/23/71/1266392371.db2.gz MILGWPUBHAKWAL-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO O=C(Nc1cccc(F)c1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903726901 1261227394 /nfs/dbraw/zinc/22/73/94/1261227394.db2.gz ORFBNACUHAUZFL-HNNXBMFYSA-N 1 3 333.451 2.866 20 0 EFADHO O[C@H](CN1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000923327923 1261463728 /nfs/dbraw/zinc/46/37/28/1261463728.db2.gz PHTDXAXRUWSSGK-OAHLLOKOSA-N 1 3 339.277 2.558 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033073390 1266411333 /nfs/dbraw/zinc/41/13/33/1266411333.db2.gz PVZFMENHLKRFIW-RTBURBONSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033073390 1266411337 /nfs/dbraw/zinc/41/13/37/1266411337.db2.gz PVZFMENHLKRFIW-RTBURBONSA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033073062 1266411501 /nfs/dbraw/zinc/41/15/01/1266411501.db2.gz PVZFMENHLKRFIW-OALUTQOASA-N 1 3 329.488 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033073062 1266411507 /nfs/dbraw/zinc/41/15/07/1266411507.db2.gz PVZFMENHLKRFIW-OALUTQOASA-N 1 3 329.488 2.592 20 0 EFADHO CCCN(C[C@H](O)COc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC000923327488 1261482029 /nfs/dbraw/zinc/48/20/29/1261482029.db2.gz QMKQOLLWYOIEKK-INIZCTEOSA-N 1 3 340.895 2.852 20 0 EFADHO CCC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)C1CCNCC1 ZINC000923327488 1261482040 /nfs/dbraw/zinc/48/20/40/1261482040.db2.gz QMKQOLLWYOIEKK-INIZCTEOSA-N 1 3 340.895 2.852 20 0 EFADHO CCC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)C1CCNCC1 ZINC000923327488 1261482044 /nfs/dbraw/zinc/48/20/44/1261482044.db2.gz QMKQOLLWYOIEKK-INIZCTEOSA-N 1 3 340.895 2.852 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001006059145 1261549707 /nfs/dbraw/zinc/54/97/07/1261549707.db2.gz GPHRIQTVBWGBKY-IBGZPJMESA-N 1 3 338.455 2.563 20 0 EFADHO O[C@@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923356001 1261552632 /nfs/dbraw/zinc/55/26/32/1261552632.db2.gz CZTODPHHCMQRDK-GUYCJALGSA-N 1 3 326.843 2.834 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)CN[C@H](C[NH3+])C2CCCCC2)c1 ZINC000923372258 1261567113 /nfs/dbraw/zinc/56/71/13/1261567113.db2.gz FZFDQBSXQYLGPV-NVXWUHKLSA-N 1 3 340.895 2.885 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000923383405 1261582373 /nfs/dbraw/zinc/58/23/73/1261582373.db2.gz ZEQNPYSRTFUQRY-IACUBPJLSA-N 1 3 333.259 2.593 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923393341 1261599316 /nfs/dbraw/zinc/59/93/16/1261599316.db2.gz OWFKCDYTUPKAHM-BRWVUGGUSA-N 1 3 337.467 2.967 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001006083579 1261663587 /nfs/dbraw/zinc/66/35/87/1261663587.db2.gz JIDUMMROODETOR-SJLPKXTDSA-N 1 3 341.515 2.920 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CC[C@H](CC[NH3+])C1 ZINC000923486675 1261742981 /nfs/dbraw/zinc/74/29/81/1261742981.db2.gz SLFKLBOLFWPVOU-ZNMIVQPWSA-N 1 3 329.444 2.669 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000923486862 1261743757 /nfs/dbraw/zinc/74/37/57/1261743757.db2.gz KXJKMYCPLGLUOZ-HOTGVXAUSA-N 1 3 325.456 2.688 20 0 EFADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@@H](CC[NH3+])C1 ZINC000923483534 1261754518 /nfs/dbraw/zinc/75/45/18/1261754518.db2.gz BQOCKIOGDJZGED-OAHLLOKOSA-N 1 3 341.455 2.891 20 0 EFADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@H](CC[NH3+])C1 ZINC000923485096 1261757697 /nfs/dbraw/zinc/75/76/97/1261757697.db2.gz FKYOIHHNFAQXAS-HUUCEWRRSA-N 1 3 329.444 2.623 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800292 1261765596 /nfs/dbraw/zinc/76/55/96/1261765596.db2.gz GDICLTFTJZWFHJ-SZMVWBNQSA-N 1 3 329.488 2.693 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800292 1261765597 /nfs/dbraw/zinc/76/55/97/1261765597.db2.gz GDICLTFTJZWFHJ-SZMVWBNQSA-N 1 3 329.488 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C)[NH+]1CCCC1 ZINC001032803698 1261846886 /nfs/dbraw/zinc/84/68/86/1261846886.db2.gz JQUPUEHVOCFBAT-BZSNNMDCSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000947980435 1261885728 /nfs/dbraw/zinc/88/57/28/1261885728.db2.gz QGBDRLKPYRSYEB-XJKSGUPXSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000947980435 1261885736 /nfs/dbraw/zinc/88/57/36/1261885736.db2.gz QGBDRLKPYRSYEB-XJKSGUPXSA-N 1 3 332.492 2.666 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)N1CCCC1 ZINC001078695338 1262223392 /nfs/dbraw/zinc/22/33/92/1262223392.db2.gz KYAJOSJJKGRPQV-IAGOWNOFSA-N 1 3 333.520 2.678 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](Cc3cccs3)CC2)C1=O ZINC001272931579 1262248940 /nfs/dbraw/zinc/24/89/40/1262248940.db2.gz DMXPVYWPYNYMED-GOSISDBHSA-N 1 3 335.517 2.514 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](Cc3cccs3)CC2)C1=O ZINC001272931579 1262248945 /nfs/dbraw/zinc/24/89/45/1262248945.db2.gz DMXPVYWPYNYMED-GOSISDBHSA-N 1 3 335.517 2.514 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)c(F)c1 ZINC001001536012 1262326514 /nfs/dbraw/zinc/32/65/14/1262326514.db2.gz DQVMIGVFVDSMAY-GOSISDBHSA-N 1 3 335.467 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001078793833 1262359632 /nfs/dbraw/zinc/35/96/32/1262359632.db2.gz BPHKBZMGUNIZSH-ROUUACIJSA-N 1 3 342.487 2.778 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001078794667 1262360501 /nfs/dbraw/zinc/36/05/01/1262360501.db2.gz JXFABSGXQRRDQD-DLBZAZTESA-N 1 3 344.503 2.714 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001485882214 1262464851 /nfs/dbraw/zinc/46/48/51/1262464851.db2.gz PHMFFJXCYVAKBT-RDTXWAMCSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001485882213 1262464896 /nfs/dbraw/zinc/46/48/96/1262464896.db2.gz PHMFFJXCYVAKBT-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1ccccc1Cl ZINC001485895688 1262480447 /nfs/dbraw/zinc/48/04/47/1262480447.db2.gz NWUWWEDPWJIVQK-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001485919843 1262499961 /nfs/dbraw/zinc/49/99/61/1262499961.db2.gz NAKNYCBWGVYHDG-GNCUJFGWSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C\Cl ZINC001485922715 1262502924 /nfs/dbraw/zinc/50/29/24/1262502924.db2.gz PXJYXICKMIJUEB-GHAIFCDISA-N 1 3 337.895 2.593 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001485943697 1262543198 /nfs/dbraw/zinc/54/31/98/1262543198.db2.gz CLKVTPGDWAJDFY-BEFAXECRSA-N 1 3 348.535 2.790 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486090084 1262612618 /nfs/dbraw/zinc/61/26/18/1262612618.db2.gz YZNWONQZDTVBLO-MAUKXSAKSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001033096982 1266526826 /nfs/dbraw/zinc/52/68/26/1266526826.db2.gz SJSORSZMUQEEKP-HSALFYBXSA-N 1 3 343.515 2.758 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001033096982 1266526829 /nfs/dbraw/zinc/52/68/29/1266526829.db2.gz SJSORSZMUQEEKP-HSALFYBXSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001486201910 1262786887 /nfs/dbraw/zinc/78/68/87/1262786887.db2.gz IGKHHODEZGSBFS-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001486220192 1262823474 /nfs/dbraw/zinc/82/34/74/1262823474.db2.gz YEDIZTHJZBFBIG-AEFFLSMTSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C)N(C)C ZINC001486409049 1263027384 /nfs/dbraw/zinc/02/73/84/1263027384.db2.gz FPGWURRJYXKKEP-IRXDYDNUSA-N 1 3 337.483 2.786 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082507096 1263201145 /nfs/dbraw/zinc/20/11/45/1263201145.db2.gz BSRDGXVJKPYGIQ-ATZDWAIDSA-N 1 3 347.478 2.635 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082507096 1263201159 /nfs/dbraw/zinc/20/11/59/1263201159.db2.gz BSRDGXVJKPYGIQ-ATZDWAIDSA-N 1 3 347.478 2.635 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082507454 1263201913 /nfs/dbraw/zinc/20/19/13/1263201913.db2.gz QZXQZMHWSIXWGM-RLLQIKCJSA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082507963 1263202511 /nfs/dbraw/zinc/20/25/11/1263202511.db2.gz LFEBHBGZINLZIY-BHIYHBOVSA-N 1 3 333.520 2.796 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC=C(Cl)Cl)C2)CC1 ZINC001486479198 1263212992 /nfs/dbraw/zinc/21/29/92/1263212992.db2.gz DESWVRBBWLSXPF-UHFFFAOYSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC001486481421 1263217996 /nfs/dbraw/zinc/21/79/96/1263217996.db2.gz NOSWLPPTYXIWPW-UHFFFAOYSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001486481513 1263218513 /nfs/dbraw/zinc/21/85/13/1263218513.db2.gz QWORLMOPRGODQU-UHFFFAOYSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c(C)c1 ZINC001082575097 1263228545 /nfs/dbraw/zinc/22/85/45/1263228545.db2.gz LOJMKZQCQJBDEU-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001082575670 1263231409 /nfs/dbraw/zinc/23/14/09/1263231409.db2.gz SRRRCNWAIQDEJA-NXHRZFHOSA-N 1 3 335.536 2.589 20 0 EFADHO CCCCOC(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000791624313 1278196791 /nfs/dbraw/zinc/19/67/91/1278196791.db2.gz YWVMIOBOMYTEFC-KDURUIRLSA-N 1 3 330.472 2.784 20 0 EFADHO CCCCOC(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000791624313 1278196796 /nfs/dbraw/zinc/19/67/96/1278196796.db2.gz YWVMIOBOMYTEFC-KDURUIRLSA-N 1 3 330.472 2.784 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082742515 1263312704 /nfs/dbraw/zinc/31/27/04/1263312704.db2.gz IKRMFMOTVNHBAI-YQVWRLOYSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082741126 1263312799 /nfs/dbraw/zinc/31/27/99/1263312799.db2.gz QCUZSQNPYNPRTE-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c1 ZINC001082740937 1263313555 /nfs/dbraw/zinc/31/35/55/1263313555.db2.gz KVCRATDWKYWJJP-WSTZPKSXSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)cc1 ZINC001082742364 1263314197 /nfs/dbraw/zinc/31/41/97/1263314197.db2.gz BZYLZYZWGDZTRV-MBOZVWFJSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1F ZINC001082740978 1263314379 /nfs/dbraw/zinc/31/43/79/1263314379.db2.gz MEMCUXFHJXFBFZ-GPMSIDNRSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082742693 1263314853 /nfs/dbraw/zinc/31/48/53/1263314853.db2.gz OWGUGODEKVZCOB-YQVWRLOYSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001082742556 1263314887 /nfs/dbraw/zinc/31/48/87/1263314887.db2.gz JWTHTGUFUXNIRF-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001082742372 1263315262 /nfs/dbraw/zinc/31/52/62/1263315262.db2.gz CCULBNXGAUBUBI-HDMKZQKVSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)c1ccccc1 ZINC001082743194 1263315557 /nfs/dbraw/zinc/31/55/57/1263315557.db2.gz NAFUZNYOGOPNPQ-ZHALLVOQSA-N 1 3 343.515 2.916 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)[C@H](C)N2CCCCCC2)c(F)c1 ZINC001486525823 1263332552 /nfs/dbraw/zinc/33/25/52/1263332552.db2.gz ZRCGTXSQVKDBQF-HNNXBMFYSA-N 1 3 335.467 2.816 20 0 EFADHO CC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)N2CCCCCC2)c(F)c1 ZINC001486525824 1263333548 /nfs/dbraw/zinc/33/35/48/1263333548.db2.gz ZRCGTXSQVKDBQF-OAHLLOKOSA-N 1 3 335.467 2.816 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082943682 1263424981 /nfs/dbraw/zinc/42/49/81/1263424981.db2.gz XADLAZLAJIEXOD-QRQLOZEOSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084338310 1263829105 /nfs/dbraw/zinc/82/91/05/1263829105.db2.gz NFVCYIRYBNQQMM-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084338310 1263829112 /nfs/dbraw/zinc/82/91/12/1263829112.db2.gz NFVCYIRYBNQQMM-CEXWTWQISA-N 1 3 347.547 2.828 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338333 1263831838 /nfs/dbraw/zinc/83/18/38/1263831838.db2.gz ODDXRVQOHNIKKG-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001084338333 1263831851 /nfs/dbraw/zinc/83/18/51/1263831851.db2.gz ODDXRVQOHNIKKG-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)CC[N@@H+]1C ZINC001084357225 1263856310 /nfs/dbraw/zinc/85/63/10/1263856310.db2.gz PPTSEIPTOCMCKS-IYWMVGAKSA-N 1 3 345.531 2.750 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(CC4=CCCCC4)C[C@H]32)CC[N@H+]1C ZINC001084357225 1263856324 /nfs/dbraw/zinc/85/63/24/1263856324.db2.gz PPTSEIPTOCMCKS-IYWMVGAKSA-N 1 3 345.531 2.750 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084421985 1263895806 /nfs/dbraw/zinc/89/58/06/1263895806.db2.gz HWNOPPUFSKZDPM-VAMGGRTRSA-N 1 3 345.531 2.894 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084421985 1263895823 /nfs/dbraw/zinc/89/58/23/1263895823.db2.gz HWNOPPUFSKZDPM-VAMGGRTRSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001084429204 1263901505 /nfs/dbraw/zinc/90/15/05/1263901505.db2.gz SCZLPMUANLHEBD-QRVBRYPASA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)N(C)C ZINC001084429204 1263901508 /nfs/dbraw/zinc/90/15/08/1263901508.db2.gz SCZLPMUANLHEBD-QRVBRYPASA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCC1 ZINC001084572130 1264034239 /nfs/dbraw/zinc/03/42/39/1264034239.db2.gz WTZLLZBANVODAJ-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCC1 ZINC001084572130 1264034250 /nfs/dbraw/zinc/03/42/50/1264034250.db2.gz WTZLLZBANVODAJ-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630880 1264091989 /nfs/dbraw/zinc/09/19/89/1264091989.db2.gz YQNWPZGANCIIPN-NSISKUIASA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701450 1264245534 /nfs/dbraw/zinc/24/55/34/1264245534.db2.gz DNZALYMKYRDLBA-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001084701450 1264245541 /nfs/dbraw/zinc/24/55/41/1264245541.db2.gz DNZALYMKYRDLBA-GUDVDZBRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766978 1264360942 /nfs/dbraw/zinc/36/09/42/1264360942.db2.gz ZNDOFEFTRWAEMG-WOJBJXKFSA-N 1 3 345.531 2.607 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852339 1264532205 /nfs/dbraw/zinc/53/22/05/1264532205.db2.gz UGSIXHDGUMWZCY-KVSKMBFKSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852339 1264532209 /nfs/dbraw/zinc/53/22/09/1264532209.db2.gz UGSIXHDGUMWZCY-KVSKMBFKSA-N 1 3 347.478 2.643 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852158 1264532299 /nfs/dbraw/zinc/53/22/99/1264532299.db2.gz JFYGMAIXWLTOHJ-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852158 1264532303 /nfs/dbraw/zinc/53/23/03/1264532303.db2.gz JFYGMAIXWLTOHJ-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852358 1264532990 /nfs/dbraw/zinc/53/29/90/1264532990.db2.gz VKDHHBWKHXJOTK-IEBWSBKVSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852358 1264532994 /nfs/dbraw/zinc/53/29/94/1264532994.db2.gz VKDHHBWKHXJOTK-IEBWSBKVSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084938745 1264711829 /nfs/dbraw/zinc/71/18/29/1264711829.db2.gz CVVLTRBMLHWOOF-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084938745 1264711835 /nfs/dbraw/zinc/71/18/35/1264711835.db2.gz CVVLTRBMLHWOOF-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084938898 1264713247 /nfs/dbraw/zinc/71/32/47/1264713247.db2.gz KEPVWJHISBYFSE-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084938898 1264713255 /nfs/dbraw/zinc/71/32/55/1264713255.db2.gz KEPVWJHISBYFSE-QRVBRYPASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)(C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)N1CCCC1 ZINC001003424577 1264745798 /nfs/dbraw/zinc/74/57/98/1264745798.db2.gz SIPUJMJSKMQRFF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084997963 1264876528 /nfs/dbraw/zinc/87/65/28/1264876528.db2.gz KEYTUGMIRQPFTI-YZGWKJHDSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084997963 1264876542 /nfs/dbraw/zinc/87/65/42/1264876542.db2.gz KEYTUGMIRQPFTI-YZGWKJHDSA-N 1 3 345.531 2.584 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC001003544173 1264881058 /nfs/dbraw/zinc/88/10/58/1264881058.db2.gz KXCRQJUPHTVMNM-YVMONPNESA-N 1 3 341.499 2.622 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001003622942 1264981131 /nfs/dbraw/zinc/98/11/31/1264981131.db2.gz DNCIGRYYCKTONN-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)cc1C ZINC001003625544 1264985556 /nfs/dbraw/zinc/98/55/56/1264985556.db2.gz HQFOCYOVEIOHMV-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003625507 1264986613 /nfs/dbraw/zinc/98/66/13/1264986613.db2.gz HIPFCSDXWVHEIE-SJLPKXTDSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c(C)c1 ZINC001003627561 1264996606 /nfs/dbraw/zinc/99/66/06/1264996606.db2.gz GNTYRMVBPGACLJ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628690 1264997158 /nfs/dbraw/zinc/99/71/58/1264997158.db2.gz TZKWXFJBUKQYKJ-KSSFIOAISA-N 1 3 345.478 2.528 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001003628679 1264997996 /nfs/dbraw/zinc/99/79/96/1264997996.db2.gz SSYFDOZDYJNUBN-INIZCTEOSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001410397163 1265014251 /nfs/dbraw/zinc/01/42/51/1265014251.db2.gz ZOLZMZRKURAWET-MRXNPFEDSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCCCC1 ZINC001085049482 1265027790 /nfs/dbraw/zinc/02/77/90/1265027790.db2.gz FAVMUBCHCPYVGC-RLLQIKCJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCCCC1 ZINC001085049482 1265027795 /nfs/dbraw/zinc/02/77/95/1265027795.db2.gz FAVMUBCHCPYVGC-RLLQIKCJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049685 1265030396 /nfs/dbraw/zinc/03/03/96/1265030396.db2.gz RUXSZELBVLDXEU-SXLOBPIMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049685 1265030402 /nfs/dbraw/zinc/03/04/02/1265030402.db2.gz RUXSZELBVLDXEU-SXLOBPIMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049586 1265030581 /nfs/dbraw/zinc/03/05/81/1265030581.db2.gz MEGMSKXQPLRDLF-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049586 1265030587 /nfs/dbraw/zinc/03/05/87/1265030587.db2.gz MEGMSKXQPLRDLF-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033077214 1266433227 /nfs/dbraw/zinc/43/32/27/1266433227.db2.gz QMFBKSBQKNMDJW-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033077214 1266433232 /nfs/dbraw/zinc/43/32/32/1266433232.db2.gz QMFBKSBQKNMDJW-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004375171 1266815093 /nfs/dbraw/zinc/81/50/93/1266815093.db2.gz OURXENVMCHDUOJ-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004375171 1266815103 /nfs/dbraw/zinc/81/51/03/1266815103.db2.gz OURXENVMCHDUOJ-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CC1CCC(N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC000734463211 1266985850 /nfs/dbraw/zinc/98/58/50/1266985850.db2.gz DATOVLQGPJYYAT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1)C1CCC1 ZINC001004459328 1267098490 /nfs/dbraw/zinc/09/84/90/1267098490.db2.gz PMPISZFFQIWMIP-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1)C1CCC1 ZINC001004459328 1267098502 /nfs/dbraw/zinc/09/85/02/1267098502.db2.gz PMPISZFFQIWMIP-GOSISDBHSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033125948 1267141648 /nfs/dbraw/zinc/14/16/48/1267141648.db2.gz JJALMUFXQVCPOQ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033125948 1267141651 /nfs/dbraw/zinc/14/16/51/1267141651.db2.gz JJALMUFXQVCPOQ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033125404 1267150901 /nfs/dbraw/zinc/15/09/01/1267150901.db2.gz CUUQVMSLPKQIOD-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033125404 1267150904 /nfs/dbraw/zinc/15/09/04/1267150904.db2.gz CUUQVMSLPKQIOD-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033128034 1267154687 /nfs/dbraw/zinc/15/46/87/1267154687.db2.gz ZOUNMQAMNMNIQV-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033128034 1267154689 /nfs/dbraw/zinc/15/46/89/1267154689.db2.gz ZOUNMQAMNMNIQV-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001033126628 1267170083 /nfs/dbraw/zinc/17/00/83/1267170083.db2.gz NKOPFLMUGAXYDO-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001033126628 1267170088 /nfs/dbraw/zinc/17/00/88/1267170088.db2.gz NKOPFLMUGAXYDO-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033126628 1267170094 /nfs/dbraw/zinc/17/00/94/1267170094.db2.gz NKOPFLMUGAXYDO-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033126628 1267170100 /nfs/dbraw/zinc/17/01/00/1267170100.db2.gz NKOPFLMUGAXYDO-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC2)C1 ZINC001085332472 1267180390 /nfs/dbraw/zinc/18/03/90/1267180390.db2.gz ZPTVRGAULSLLCO-MDZRGWNJSA-N 1 3 339.499 2.626 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2F)C1 ZINC001085333121 1267181282 /nfs/dbraw/zinc/18/12/82/1267181282.db2.gz ZYUKJLSNRYZATB-KFKAGJAMSA-N 1 3 347.478 2.685 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CC3)CC2)C1 ZINC001004543980 1267262437 /nfs/dbraw/zinc/26/24/37/1267262437.db2.gz RGRRJIWWNKKFGC-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([C@H]3CCC[N@H+]3CC3CC3)CC2)C1 ZINC001004543980 1267262446 /nfs/dbraw/zinc/26/24/46/1267262446.db2.gz RGRRJIWWNKKFGC-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC=C(C)C)CC1)N(C)C ZINC001004545601 1267267677 /nfs/dbraw/zinc/26/76/77/1267267677.db2.gz DQDMYLCCPRQGDW-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC=C(C)C)CC1)N(C)C ZINC001004545601 1267267682 /nfs/dbraw/zinc/26/76/82/1267267682.db2.gz DQDMYLCCPRQGDW-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004547095 1267268762 /nfs/dbraw/zinc/26/87/62/1267268762.db2.gz LIZRREQWYDSRJS-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004547095 1267268770 /nfs/dbraw/zinc/26/87/70/1267268770.db2.gz LIZRREQWYDSRJS-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547534 1267270631 /nfs/dbraw/zinc/27/06/31/1267270631.db2.gz OJLHZJLUTAECOB-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004547534 1267270643 /nfs/dbraw/zinc/27/06/43/1267270643.db2.gz OJLHZJLUTAECOB-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549257 1267274306 /nfs/dbraw/zinc/27/43/06/1267274306.db2.gz WMMKYCGCQSDERN-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549257 1267274316 /nfs/dbraw/zinc/27/43/16/1267274316.db2.gz WMMKYCGCQSDERN-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549233 1267275125 /nfs/dbraw/zinc/27/51/25/1267275125.db2.gz VSHODIDCYSQKPK-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549233 1267275135 /nfs/dbraw/zinc/27/51/35/1267275135.db2.gz VSHODIDCYSQKPK-AZUAARDMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633038 1267369604 /nfs/dbraw/zinc/36/96/04/1267369604.db2.gz DEBNIVNYGKMVLF-OTWHNJEPSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633038 1267369613 /nfs/dbraw/zinc/36/96/13/1267369613.db2.gz DEBNIVNYGKMVLF-OTWHNJEPSA-N 1 3 337.552 2.789 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001085406603 1267404089 /nfs/dbraw/zinc/40/40/89/1267404089.db2.gz OAEPEULXQWLOBM-IAGOWNOFSA-N 1 3 344.503 2.858 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H]2C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001004616624 1267409212 /nfs/dbraw/zinc/40/92/12/1267409212.db2.gz LOJIBULXLWKONT-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H]2C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001004616624 1267409215 /nfs/dbraw/zinc/40/92/15/1267409215.db2.gz LOJIBULXLWKONT-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168743201 1267781397 /nfs/dbraw/zinc/78/13/97/1267781397.db2.gz JWRWCLBRYBPPIC-SFHVURJKSA-N 1 3 347.934 2.767 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@@H]3Cc4cccc(Cl)c4C3)CC2)CC1 ZINC001168743200 1267781850 /nfs/dbraw/zinc/78/18/50/1267781850.db2.gz JWRWCLBRYBPPIC-GOSISDBHSA-N 1 3 347.934 2.767 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085594563 1267943330 /nfs/dbraw/zinc/94/33/30/1267943330.db2.gz JTBDPJOTOINUQN-OALUTQOASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085594563 1267943334 /nfs/dbraw/zinc/94/33/34/1267943334.db2.gz JTBDPJOTOINUQN-OALUTQOASA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085589311 1267950693 /nfs/dbraw/zinc/95/06/93/1267950693.db2.gz JDOWNWZANRFXPA-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085589311 1267950701 /nfs/dbraw/zinc/95/07/01/1267950701.db2.gz JDOWNWZANRFXPA-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085629374 1268052642 /nfs/dbraw/zinc/05/26/42/1268052642.db2.gz SFWMQWWPMCMDNW-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085629374 1268052654 /nfs/dbraw/zinc/05/26/54/1268052654.db2.gz SFWMQWWPMCMDNW-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085629142 1268053253 /nfs/dbraw/zinc/05/32/53/1268053253.db2.gz MIANWUISOPVFQD-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085629142 1268053262 /nfs/dbraw/zinc/05/32/62/1268053262.db2.gz MIANWUISOPVFQD-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639025 1268090359 /nfs/dbraw/zinc/09/03/59/1268090359.db2.gz GMEMXTOMXQFWCQ-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639025 1268090373 /nfs/dbraw/zinc/09/03/73/1268090373.db2.gz GMEMXTOMXQFWCQ-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001004942460 1268197547 /nfs/dbraw/zinc/19/75/47/1268197547.db2.gz AWUNYEABBNBOPA-VQIMIIECSA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004942984 1268199618 /nfs/dbraw/zinc/19/96/18/1268199618.db2.gz CIDDEZKVRHRVAZ-MAUKXSAKSA-N 1 3 332.492 2.892 20 0 EFADHO Cc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001085700862 1268233845 /nfs/dbraw/zinc/23/38/45/1268233845.db2.gz ZNSWOCPKOBYJRC-LJQANCHMSA-N 1 3 348.450 2.989 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033224043 1268291862 /nfs/dbraw/zinc/29/18/62/1268291862.db2.gz YROSQPOCLBHWAX-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033224043 1268291864 /nfs/dbraw/zinc/29/18/64/1268291864.db2.gz YROSQPOCLBHWAX-WOJBJXKFSA-N 1 3 343.515 2.840 20 0 EFADHO CC/C=C\CCC[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273116934 1268324210 /nfs/dbraw/zinc/32/42/10/1268324210.db2.gz UHNSVEIKIFVGCY-PRPIBZDOSA-N 1 3 335.536 2.999 20 0 EFADHO CC/C=C\CCC[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273116934 1268324223 /nfs/dbraw/zinc/32/42/23/1268324223.db2.gz UHNSVEIKIFVGCY-PRPIBZDOSA-N 1 3 335.536 2.999 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@H]1CCN(Cc2ccsc2)C1 ZINC001033229437 1268339743 /nfs/dbraw/zinc/33/97/43/1268339743.db2.gz BCWGOFZWHIQGNM-INIZCTEOSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CCN(Cc2ccsc2)C1 ZINC001033229437 1268339749 /nfs/dbraw/zinc/33/97/49/1268339749.db2.gz BCWGOFZWHIQGNM-INIZCTEOSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033229437 1268339758 /nfs/dbraw/zinc/33/97/58/1268339758.db2.gz BCWGOFZWHIQGNM-INIZCTEOSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033229437 1268339766 /nfs/dbraw/zinc/33/97/66/1268339766.db2.gz BCWGOFZWHIQGNM-INIZCTEOSA-N 1 3 340.452 2.742 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776279 1268479375 /nfs/dbraw/zinc/47/93/75/1268479375.db2.gz KAGCUTOHVOJIIG-HDICACEKSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776279 1268479382 /nfs/dbraw/zinc/47/93/82/1268479382.db2.gz KAGCUTOHVOJIIG-HDICACEKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782310 1268504701 /nfs/dbraw/zinc/50/47/01/1268504701.db2.gz RLKRUAGRNFYBOO-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782310 1268504710 /nfs/dbraw/zinc/50/47/10/1268504710.db2.gz RLKRUAGRNFYBOO-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1 ZINC000946779821 1268518964 /nfs/dbraw/zinc/51/89/64/1268518964.db2.gz TXDYVHAZBGXYFB-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1 ZINC000946779821 1268518972 /nfs/dbraw/zinc/51/89/72/1268518972.db2.gz TXDYVHAZBGXYFB-YSIASYRMSA-N 1 3 347.547 2.831 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123644 1268583632 /nfs/dbraw/zinc/58/36/32/1268583632.db2.gz AIDMMASLHHBDKK-BJLQDIEVSA-N 1 3 333.520 2.607 20 0 EFADHO CC1=C[C@H](C)[C@H](C[N@H+]2CCC[C@@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123644 1268583639 /nfs/dbraw/zinc/58/36/39/1268583639.db2.gz AIDMMASLHHBDKK-BJLQDIEVSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798788 1268594457 /nfs/dbraw/zinc/59/44/57/1268594457.db2.gz AKSBQYWZGCDPAQ-HKUYNNGSSA-N 1 3 343.515 2.931 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)C1CC[NH+](C)CC1 ZINC001085799417 1268596207 /nfs/dbraw/zinc/59/62/07/1268596207.db2.gz QKOBVRQRDBYALR-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1=C[C@H](C)[C@H](CN2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)CC1 ZINC001273126340 1268634880 /nfs/dbraw/zinc/63/48/80/1268634880.db2.gz VCNANFBWWWVFIF-ZJOUEHCJSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125787 1268641067 /nfs/dbraw/zinc/64/10/67/1268641067.db2.gz RRTZYPFHCKHEQM-FCGDIQPGSA-N 1 3 333.520 2.606 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125787 1268641078 /nfs/dbraw/zinc/64/10/78/1268641078.db2.gz RRTZYPFHCKHEQM-FCGDIQPGSA-N 1 3 333.520 2.606 20 0 EFADHO CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808102 1268773704 /nfs/dbraw/zinc/77/37/04/1268773704.db2.gz JCYDOWQIOJHJEV-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)CC[C@@H]2C1 ZINC000946808102 1268773710 /nfs/dbraw/zinc/77/37/10/1268773710.db2.gz JCYDOWQIOJHJEV-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033390750 1269055790 /nfs/dbraw/zinc/05/57/90/1269055790.db2.gz MOCKGSFFIZTQGR-IBGZPJMESA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415867 1269087010 /nfs/dbraw/zinc/08/70/10/1269087010.db2.gz MBHMJWWCKNDEGP-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001033415867 1269087022 /nfs/dbraw/zinc/08/70/22/1269087022.db2.gz MBHMJWWCKNDEGP-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001033417968 1269094618 /nfs/dbraw/zinc/09/46/18/1269094618.db2.gz BPOLPPIHLVQATM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001033417968 1269094628 /nfs/dbraw/zinc/09/46/28/1269094628.db2.gz BPOLPPIHLVQATM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001033419376 1269099878 /nfs/dbraw/zinc/09/98/78/1269099878.db2.gz JDBHNNZRWIAIDL-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[C@H](C)C2)C1 ZINC001033419376 1269099889 /nfs/dbraw/zinc/09/98/89/1269099889.db2.gz JDBHNNZRWIAIDL-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001033419035 1269100108 /nfs/dbraw/zinc/10/01/08/1269100108.db2.gz GHVOSVGVIMIPKG-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001033419035 1269100115 /nfs/dbraw/zinc/10/01/15/1269100115.db2.gz GHVOSVGVIMIPKG-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928129 1269129980 /nfs/dbraw/zinc/12/99/80/1269129980.db2.gz OZWLEQIKIJOKGB-MOPGFXCFSA-N 1 3 341.499 2.766 20 0 EFADHO C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)N(C)C ZINC000700583932 1269310771 /nfs/dbraw/zinc/31/07/71/1269310771.db2.gz MRTNCUCFYJNMLO-WZYMTQMTSA-N 1 3 325.497 2.847 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005177919 1269338372 /nfs/dbraw/zinc/33/83/72/1269338372.db2.gz FXZDCKZRUWKAFQ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001005180460 1269339431 /nfs/dbraw/zinc/33/94/31/1269339431.db2.gz SHSDQJQUNBVYCL-HXUWFJFHSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001005180454 1269339591 /nfs/dbraw/zinc/33/95/91/1269339591.db2.gz SHSDQJQUNBVYCL-FQEVSTJZSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001005181062 1269341510 /nfs/dbraw/zinc/34/15/10/1269341510.db2.gz VHBVYXILQMGTDM-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001005186213 1269354642 /nfs/dbraw/zinc/35/46/42/1269354642.db2.gz ZAAAVBVOGPXRLV-UXHICEINSA-N 1 3 341.499 2.691 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984840 1269411561 /nfs/dbraw/zinc/41/15/61/1269411561.db2.gz OBGDEOVUKPEZMX-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984840 1269411565 /nfs/dbraw/zinc/41/15/65/1269411565.db2.gz OBGDEOVUKPEZMX-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033574689 1269477207 /nfs/dbraw/zinc/47/72/07/1269477207.db2.gz MAGXPSVRSHZLKM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033574689 1269477210 /nfs/dbraw/zinc/47/72/10/1269477210.db2.gz MAGXPSVRSHZLKM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700785544 1269503331 /nfs/dbraw/zinc/50/33/31/1269503331.db2.gz GZJLZQAWRKGPNK-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033588104 1269504949 /nfs/dbraw/zinc/50/49/49/1269504949.db2.gz JPRWOLVESARTLP-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033588104 1269504951 /nfs/dbraw/zinc/50/49/51/1269504951.db2.gz JPRWOLVESARTLP-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033593650 1269517217 /nfs/dbraw/zinc/51/72/17/1269517217.db2.gz JBLMBRBBGYVBKN-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033593650 1269517225 /nfs/dbraw/zinc/51/72/25/1269517225.db2.gz JBLMBRBBGYVBKN-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033593648 1269518082 /nfs/dbraw/zinc/51/80/82/1269518082.db2.gz JBLMBRBBGYVBKN-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033593648 1269518086 /nfs/dbraw/zinc/51/80/86/1269518086.db2.gz JBLMBRBBGYVBKN-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033595107 1269519018 /nfs/dbraw/zinc/51/90/18/1269519018.db2.gz QYWGCOFQHXWNLK-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033595107 1269519023 /nfs/dbraw/zinc/51/90/23/1269519023.db2.gz QYWGCOFQHXWNLK-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001409968082 1269674923 /nfs/dbraw/zinc/67/49/23/1269674923.db2.gz QNZBABMLTMZHAA-MRXNPFEDSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686056 1269799039 /nfs/dbraw/zinc/79/90/39/1269799039.db2.gz ZDGLWGBVAXBWBL-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686056 1269799047 /nfs/dbraw/zinc/79/90/47/1269799047.db2.gz ZDGLWGBVAXBWBL-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086084672 1269856465 /nfs/dbraw/zinc/85/64/65/1269856465.db2.gz ASPCBDHIJCXLLK-UHOSZYNNSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086084839 1269859287 /nfs/dbraw/zinc/85/92/87/1269859287.db2.gz INSODFWZZIRIEQ-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001086084976 1269859385 /nfs/dbraw/zinc/85/93/85/1269859385.db2.gz NAMCSSCWNZJGQR-HSALFYBXSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410863600 1269915032 /nfs/dbraw/zinc/91/50/32/1269915032.db2.gz OSAFIXKVEPJTFM-HOCLYGCPSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410863617 1269915099 /nfs/dbraw/zinc/91/50/99/1269915099.db2.gz OSAFIXKVEPJTFM-ZBFHGGJFSA-N 1 3 349.906 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@H]1C ZINC001410868566 1269957993 /nfs/dbraw/zinc/95/79/93/1269957993.db2.gz WOJLXXYSOMCZKW-RHSMWYFYSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@H]1C ZINC001410868566 1269957999 /nfs/dbraw/zinc/95/79/99/1269957999.db2.gz WOJLXXYSOMCZKW-RHSMWYFYSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC001410868578 1269958454 /nfs/dbraw/zinc/95/84/54/1269958454.db2.gz WOJLXXYSOMCZKW-WMLDXEAASA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccccc2Cl)[C@@H]1C ZINC001410868578 1269958457 /nfs/dbraw/zinc/95/84/57/1269958457.db2.gz WOJLXXYSOMCZKW-WMLDXEAASA-N 1 3 337.895 2.761 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086102249 1269972865 /nfs/dbraw/zinc/97/28/65/1269972865.db2.gz OQCUMVOQILXMSZ-HSALFYBXSA-N 1 3 343.515 2.588 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086102220 1269973207 /nfs/dbraw/zinc/97/32/07/1269973207.db2.gz NLUZXOZYWMIGGS-ZCNNSNEGSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086102090 1269973234 /nfs/dbraw/zinc/97/32/34/1269973234.db2.gz IRTCWFCWIYHZFF-OTWHNJEPSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086102190 1269973432 /nfs/dbraw/zinc/97/34/32/1269973432.db2.gz MGWOERCJLMMXIV-OTWHNJEPSA-N 1 3 333.520 2.846 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001410873346 1269998144 /nfs/dbraw/zinc/99/81/44/1269998144.db2.gz JLKADLDHZDZIJF-RDJZCZTQSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001410873346 1269998149 /nfs/dbraw/zinc/99/81/49/1269998149.db2.gz JLKADLDHZDZIJF-RDJZCZTQSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)C[C@@H]1C ZINC001410893880 1270122921 /nfs/dbraw/zinc/12/29/21/1270122921.db2.gz WGRPNVSTMUXXNL-QWHCGFSZSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)C[C@@H]1C ZINC001410893880 1270122924 /nfs/dbraw/zinc/12/29/24/1270122924.db2.gz WGRPNVSTMUXXNL-QWHCGFSZSA-N 1 3 343.924 2.822 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033836821 1270313548 /nfs/dbraw/zinc/31/35/48/1270313548.db2.gz DRHVOFFRKBCTSR-MISYRCLQSA-N 1 3 343.515 2.758 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033836821 1270313558 /nfs/dbraw/zinc/31/35/58/1270313558.db2.gz DRHVOFFRKBCTSR-MISYRCLQSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CCCF)CC1 ZINC001005392295 1270314523 /nfs/dbraw/zinc/31/45/23/1270314523.db2.gz XYSMLCWIBHENHY-UHFFFAOYSA-N 1 3 327.488 2.533 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001410945463 1270331242 /nfs/dbraw/zinc/33/12/42/1270331242.db2.gz CVPXEBKMJZMSGK-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001410945465 1270332095 /nfs/dbraw/zinc/33/20/95/1270332095.db2.gz CVPXEBKMJZMSGK-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC001086177115 1270358559 /nfs/dbraw/zinc/35/85/59/1270358559.db2.gz GQSRRUAJCYRAFW-NBOOPKSLSA-N 1 3 347.478 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC001086177115 1270358567 /nfs/dbraw/zinc/35/85/67/1270358567.db2.gz GQSRRUAJCYRAFW-NBOOPKSLSA-N 1 3 347.478 2.540 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001410957717 1270433219 /nfs/dbraw/zinc/43/32/19/1270433219.db2.gz OJWAWUUWAPBUCK-MOPGFXCFSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086217118 1270520089 /nfs/dbraw/zinc/52/00/89/1270520089.db2.gz OIOBRHWCQHXDMV-CEXWTWQISA-N 1 3 335.536 2.924 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)C1 ZINC001086605625 1278573472 /nfs/dbraw/zinc/57/34/72/1278573472.db2.gz NOIKJLZBWMSSDD-SLFFLAALSA-N 1 3 343.515 2.713 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CN(CC)C[C@H]2c2ccccc2)C1 ZINC001086605625 1278573484 /nfs/dbraw/zinc/57/34/84/1278573484.db2.gz NOIKJLZBWMSSDD-SLFFLAALSA-N 1 3 343.515 2.713 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086250564 1270679444 /nfs/dbraw/zinc/67/94/44/1270679444.db2.gz BOKLPFOVXXMBSN-OTWHNJEPSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001034013645 1270830894 /nfs/dbraw/zinc/83/08/94/1270830894.db2.gz PQTNLPLEVYLXNT-LJQANCHMSA-N 1 3 341.499 2.514 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273419776 1270946050 /nfs/dbraw/zinc/94/60/50/1270946050.db2.gz RGJHEWWIJPJDLM-RMUOZIPVSA-N 1 3 341.499 2.895 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001273419776 1270946054 /nfs/dbraw/zinc/94/60/54/1270946054.db2.gz RGJHEWWIJPJDLM-RMUOZIPVSA-N 1 3 341.499 2.895 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086364977 1271168631 /nfs/dbraw/zinc/16/86/31/1271168631.db2.gz ZUSVBKMREOWVRJ-FHWLQOOXSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086364846 1271168989 /nfs/dbraw/zinc/16/89/89/1271168989.db2.gz UGOFRVVCMWZQGK-FHWLQOOXSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086364752 1271169138 /nfs/dbraw/zinc/16/91/38/1271169138.db2.gz QCJHPDGNAYLWIP-SZMVWBNQSA-N 1 3 335.536 2.780 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086381586 1271223913 /nfs/dbraw/zinc/22/39/13/1271223913.db2.gz AHORRUWPRMCFHJ-WDSOQIARSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001086382261 1271225228 /nfs/dbraw/zinc/22/52/28/1271225228.db2.gz ZENWYLNQSAJXQM-VAMGGRTRSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001086382417 1271225921 /nfs/dbraw/zinc/22/59/21/1271225921.db2.gz GEWHZZIWDNUYTB-SZMVWBNQSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086382458 1271225961 /nfs/dbraw/zinc/22/59/61/1271225961.db2.gz IRTCWFCWIYHZFF-GUDVDZBRSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001411123467 1271371642 /nfs/dbraw/zinc/37/16/42/1271371642.db2.gz XUDDZHOTYYAHES-APWZRJJASA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001411123467 1271371648 /nfs/dbraw/zinc/37/16/48/1271371648.db2.gz XUDDZHOTYYAHES-APWZRJJASA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034289343 1271570854 /nfs/dbraw/zinc/57/08/54/1271570854.db2.gz TUCRRCOVXXMCOM-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034289343 1271570858 /nfs/dbraw/zinc/57/08/58/1271570858.db2.gz TUCRRCOVXXMCOM-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(N[C@H]1CCCCN(Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001034290642 1271571790 /nfs/dbraw/zinc/57/17/90/1271571790.db2.gz JYTPJXDBRXWNNL-IBGZPJMESA-N 1 3 341.499 2.786 20 0 EFADHO O=C(N[C@@H]1CCCCN(Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001034290643 1271573036 /nfs/dbraw/zinc/57/30/36/1271573036.db2.gz JYTPJXDBRXWNNL-LJQANCHMSA-N 1 3 341.499 2.786 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341045 1271704228 /nfs/dbraw/zinc/70/42/28/1271704228.db2.gz ZBRZUDNQTYFVCZ-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001034341045 1271704236 /nfs/dbraw/zinc/70/42/36/1271704236.db2.gz ZBRZUDNQTYFVCZ-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)C1 ZINC001034396760 1271888654 /nfs/dbraw/zinc/88/86/54/1271888654.db2.gz HQMJBLCLYGPBTG-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)C1 ZINC001034396760 1271888672 /nfs/dbraw/zinc/88/86/72/1271888672.db2.gz HQMJBLCLYGPBTG-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399312 1271894498 /nfs/dbraw/zinc/89/44/98/1271894498.db2.gz SGXIZPSTZSFZMR-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399312 1271894506 /nfs/dbraw/zinc/89/45/06/1271894506.db2.gz SGXIZPSTZSFZMR-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034480896 1272087987 /nfs/dbraw/zinc/08/79/87/1272087987.db2.gz OCYINOUPUQARNO-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034480896 1272087998 /nfs/dbraw/zinc/08/79/98/1272087998.db2.gz OCYINOUPUQARNO-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)CN(C)C3CCC3)C2)c1 ZINC001411242385 1272114633 /nfs/dbraw/zinc/11/46/33/1272114633.db2.gz YGNPFRDARMVIQW-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001034486797 1272138841 /nfs/dbraw/zinc/13/88/41/1272138841.db2.gz MEDWQJKSXVVHOK-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761032 1272171774 /nfs/dbraw/zinc/17/17/74/1272171774.db2.gz DMWYSGXYSHAUIO-PXNSSMCTSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761032 1272171783 /nfs/dbraw/zinc/17/17/83/1272171783.db2.gz DMWYSGXYSHAUIO-PXNSSMCTSA-N 1 3 328.431 2.971 20 0 EFADHO C[C@H]1C[C@H](NC2CC[NH+](C3CCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168824266 1272427502 /nfs/dbraw/zinc/42/75/02/1272427502.db2.gz OLDOSPFJJHWTMP-HOCLYGCPSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831248 1272430526 /nfs/dbraw/zinc/43/05/26/1272430526.db2.gz URYYKLLJJGZJEM-FXUDXRNXSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831248 1272430531 /nfs/dbraw/zinc/43/05/31/1272430531.db2.gz URYYKLLJJGZJEM-FXUDXRNXSA-N 1 3 325.497 2.847 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1c(C)cccc1Cl ZINC001168755699 1272527117 /nfs/dbraw/zinc/52/71/17/1272527117.db2.gz QBIGXXSGNSOBOY-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1ccc(Br)cc1)C2 ZINC001169082030 1272659072 /nfs/dbraw/zinc/65/90/72/1272659072.db2.gz XJIBZCOJHLBYPI-LVQVYYBASA-N 1 3 339.277 2.697 20 0 EFADHO CC(C)N(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169117833 1272673452 /nfs/dbraw/zinc/67/34/52/1272673452.db2.gz AFOTZVXDNGGWSE-MUJYYYPQSA-N 1 3 325.497 2.847 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169129159 1272684125 /nfs/dbraw/zinc/68/41/25/1272684125.db2.gz HCPNWZQCWFMJGY-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169129159 1272684130 /nfs/dbraw/zinc/68/41/30/1272684130.db2.gz HCPNWZQCWFMJGY-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCN3c3ncccn3)CC1)C2 ZINC001169131379 1272688864 /nfs/dbraw/zinc/68/88/64/1272688864.db2.gz SSTFTUCWAADEBP-PIIMJCKOSA-N 1 3 341.503 2.537 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC3(CCCN3c3ncccn3)CC1)C2 ZINC001169131379 1272688872 /nfs/dbraw/zinc/68/88/72/1272688872.db2.gz SSTFTUCWAADEBP-PIIMJCKOSA-N 1 3 341.503 2.537 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001169133016 1272693050 /nfs/dbraw/zinc/69/30/50/1272693050.db2.gz BLFMKIZNQQNTCQ-YUBLJMCLSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001169133016 1272693053 /nfs/dbraw/zinc/69/30/53/1272693053.db2.gz BLFMKIZNQQNTCQ-YUBLJMCLSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@H]3C2)cc1 ZINC001169133015 1272693485 /nfs/dbraw/zinc/69/34/85/1272693485.db2.gz BLFMKIZNQQNTCQ-CSEOROSGSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(N2CCOCC2)n1 ZINC001169135301 1272695138 /nfs/dbraw/zinc/69/51/38/1272695138.db2.gz BFPWVMACQZKTMS-BEFAXECRSA-N 1 3 347.507 2.577 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001169139851 1272701134 /nfs/dbraw/zinc/70/11/34/1272701134.db2.gz FHMVJDHXKLRWNV-REPLKXPHSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC(C(=O)N3CCCCCC3)CC1)C2 ZINC001169139851 1272701141 /nfs/dbraw/zinc/70/11/41/1272701141.db2.gz FHMVJDHXKLRWNV-REPLKXPHSA-N 1 3 333.520 2.726 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001169143073 1272704579 /nfs/dbraw/zinc/70/45/79/1272704579.db2.gz XFGPTSVCSYBRSE-CZLMFIFXSA-N 1 3 325.500 2.675 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001169143073 1272704585 /nfs/dbraw/zinc/70/45/85/1272704585.db2.gz XFGPTSVCSYBRSE-CZLMFIFXSA-N 1 3 325.500 2.675 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146415 1272709333 /nfs/dbraw/zinc/70/93/33/1272709333.db2.gz PFZHMLJKHGMYFX-ZSHCYNCHSA-N 1 3 325.497 2.847 20 0 EFADHO CC(C)N(CCNC(=O)OC(C)(C)C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169146415 1272709345 /nfs/dbraw/zinc/70/93/45/1272709345.db2.gz PFZHMLJKHGMYFX-ZSHCYNCHSA-N 1 3 325.497 2.847 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(C(=O)OC(C)(C)C)CCC1)C2 ZINC001169153538 1272714680 /nfs/dbraw/zinc/71/46/80/1272714680.db2.gz KKEFQBGEWSPPSE-FVQHAEBGSA-N 1 3 337.508 2.945 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCCN(C(=O)OC(C)(C)C)CCC1)C2 ZINC001169153538 1272714690 /nfs/dbraw/zinc/71/46/90/1272714690.db2.gz KKEFQBGEWSPPSE-FVQHAEBGSA-N 1 3 337.508 2.945 20 0 EFADHO C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001169153278 1272715771 /nfs/dbraw/zinc/71/57/71/1272715771.db2.gz IKXRSGOWPAFLMP-NXOAAHMSSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001169153278 1272715778 /nfs/dbraw/zinc/71/57/78/1272715778.db2.gz IKXRSGOWPAFLMP-NXOAAHMSSA-N 1 3 337.508 2.943 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001169154202 1272716101 /nfs/dbraw/zinc/71/61/01/1272716101.db2.gz NZMUWYVENGIVDM-BWTSREIZSA-N 1 3 333.520 2.773 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CCC(NC(=O)C3CCCCC3)CC1)C2 ZINC001169154202 1272716107 /nfs/dbraw/zinc/71/61/07/1272716107.db2.gz NZMUWYVENGIVDM-BWTSREIZSA-N 1 3 333.520 2.773 20 0 EFADHO CCN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001169264123 1272754345 /nfs/dbraw/zinc/75/43/45/1272754345.db2.gz HTLFIDVGUAFUJL-OAHLLOKOSA-N 1 3 333.451 2.504 20 0 EFADHO CCN1CCC([N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001169264123 1272754354 /nfs/dbraw/zinc/75/43/54/1272754354.db2.gz HTLFIDVGUAFUJL-OAHLLOKOSA-N 1 3 333.451 2.504 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-n3ccc([C@H](C)[NH3+])n3)c(F)c2)CC1 ZINC001169237786 1272761141 /nfs/dbraw/zinc/76/11/41/1272761141.db2.gz PQYDHIDOFKJHEZ-HNNXBMFYSA-N 1 3 345.466 2.557 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001034735945 1272763655 /nfs/dbraw/zinc/76/36/55/1272763655.db2.gz QZPZYOJNMGECHD-MISYRCLQSA-N 1 3 343.515 2.996 20 0 EFADHO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4c(c3)COC43CNC3)c2C1 ZINC001171099880 1278736423 /nfs/dbraw/zinc/73/64/23/1278736423.db2.gz QONVWPIWAVDLMY-HNNXBMFYSA-N 1 3 345.446 2.775 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccccc2)CC1 ZINC001169452693 1272926582 /nfs/dbraw/zinc/92/65/82/1272926582.db2.gz PQAQANMUJSZGIG-QGZVFWFLSA-N 1 3 331.504 2.669 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC001169453067 1272927105 /nfs/dbraw/zinc/92/71/05/1272927105.db2.gz TZDODKRQQYUZIH-MRXNPFEDSA-N 1 3 349.494 2.809 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]CC2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001169512891 1272975476 /nfs/dbraw/zinc/97/54/76/1272975476.db2.gz JPQQRMJXZCKSEL-IBGZPJMESA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034795574 1272979762 /nfs/dbraw/zinc/97/97/62/1272979762.db2.gz KISRAHWRBSUMHK-IYARVYRRSA-N 1 3 329.488 2.789 20 0 EFADHO CC(=O)N1CC[C@H]([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169536935 1272994254 /nfs/dbraw/zinc/99/42/54/1272994254.db2.gz GRCGFZNKFXDQTJ-HKUYNNGSSA-N 1 3 345.487 2.577 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034816283 1273054335 /nfs/dbraw/zinc/05/43/35/1273054335.db2.gz KXWXMCBATKEOJU-IBGZPJMESA-N 1 3 329.488 2.675 20 0 EFADHO Cc1cc(Br)cnc1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206014078 1273054641 /nfs/dbraw/zinc/05/46/41/1273054641.db2.gz VXSKSZIJVKNRCY-OLZOCXBDSA-N 1 3 326.282 2.959 20 0 EFADHO CC(C)N1CCN(c2ccc(NC(C)(C)CC[NH+](C)C)cn2)CC1 ZINC001169718743 1273118059 /nfs/dbraw/zinc/11/80/59/1273118059.db2.gz VEPRHJFLZJQWCR-UHFFFAOYSA-N 1 3 333.524 2.754 20 0 EFADHO CCCN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783158 1273164676 /nfs/dbraw/zinc/16/46/76/1273164676.db2.gz AFRKJAFZNYBOSI-LJQANCHMSA-N 1 3 331.504 2.955 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001034957448 1273271091 /nfs/dbraw/zinc/27/10/91/1273271091.db2.gz VGFHDXRBNSMWOQ-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001034957221 1273271399 /nfs/dbraw/zinc/27/13/99/1273271399.db2.gz NVSXEDFESQNDQD-MAUKXSAKSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CF)cc2)CCC1 ZINC001034957206 1273271441 /nfs/dbraw/zinc/27/14/41/1273271441.db2.gz MYKBAACCFQDAPG-GOSISDBHSA-N 1 3 347.478 2.721 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)CC1 ZINC001034957537 1273271601 /nfs/dbraw/zinc/27/16/01/1273271601.db2.gz ZNCDPHVFQVYBBH-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001034957202 1273271887 /nfs/dbraw/zinc/27/18/87/1273271887.db2.gz MNVDAFFUQRZXTF-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001034958012 1273272759 /nfs/dbraw/zinc/27/27/59/1273272759.db2.gz UILWKFJNZFCKTB-NVXWUHKLSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c(C)c1 ZINC001034957845 1273273051 /nfs/dbraw/zinc/27/30/51/1273273051.db2.gz LUMJJHXSQIDBKA-HXUWFJFHSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21)C1CCC1 ZINC001034958079 1273273751 /nfs/dbraw/zinc/27/37/51/1273273751.db2.gz YZNJVRLPLFLFIU-QUCCMNQESA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001034957928 1273273806 /nfs/dbraw/zinc/27/38/06/1273273806.db2.gz PRDTWADBUCCCOS-HNAYVOBHSA-N 1 3 347.478 2.952 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1CNCc1ccccc1Cl)C1CC1 ZINC001034959562 1273276181 /nfs/dbraw/zinc/27/61/81/1273276181.db2.gz CEJDNQBMYYPYQC-SJLPKXTDSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1C ZINC001034959564 1273276390 /nfs/dbraw/zinc/27/63/90/1273276390.db2.gz CEJUFJSYCVTZLG-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC[N@@H+]1C ZINC001034939511 1273279674 /nfs/dbraw/zinc/27/96/74/1273279674.db2.gz DDLVDQJTPYUXPU-DJIMGWMZSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC[N@H+]1C ZINC001034939511 1273279686 /nfs/dbraw/zinc/27/96/86/1273279686.db2.gz DDLVDQJTPYUXPU-DJIMGWMZSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001034975589 1273300024 /nfs/dbraw/zinc/30/00/24/1273300024.db2.gz UTGZSFOZHPYCJX-BMGDILEWSA-N 1 3 335.467 2.808 20 0 EFADHO O=C(N1CCC[C@@H]1CNCc1ccccc1F)C12CCC[NH+]1CCC2 ZINC001034981820 1273309046 /nfs/dbraw/zinc/30/90/46/1273309046.db2.gz HEHUNJTUJJKXOI-QGZVFWFLSA-N 1 3 345.462 2.535 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034961296 1273311866 /nfs/dbraw/zinc/31/18/66/1273311866.db2.gz GWOPAODEMDHGPK-ZWKOTPCHSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNCc1ccccc1F ZINC001034961296 1273311877 /nfs/dbraw/zinc/31/18/77/1273311877.db2.gz GWOPAODEMDHGPK-ZWKOTPCHSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccccc1F ZINC001035013966 1273386921 /nfs/dbraw/zinc/38/69/21/1273386921.db2.gz QXKXFDXZRAVVBZ-IIDMSEBBSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C)c1ccccc1F ZINC001035020276 1273397131 /nfs/dbraw/zinc/39/71/31/1273397131.db2.gz RYASHGMLPWCGTE-MDZRGWNJSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)c1 ZINC001035036328 1273419904 /nfs/dbraw/zinc/41/99/04/1273419904.db2.gz LIMVOKCTTIFYRR-GOSISDBHSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001035040039 1273425931 /nfs/dbraw/zinc/42/59/31/1273425931.db2.gz QYESGICXABRBOJ-IAGOWNOFSA-N 1 3 337.533 2.723 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001035040307 1273427337 /nfs/dbraw/zinc/42/73/37/1273427337.db2.gz YWCBXKVSDOBHHO-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001035047728 1273463776 /nfs/dbraw/zinc/46/37/76/1273463776.db2.gz GEERQULJPKSDJU-OXQOHEQNSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001035047718 1273464136 /nfs/dbraw/zinc/46/41/36/1273464136.db2.gz GCQJOWCPLZXSBE-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001035047740 1273464253 /nfs/dbraw/zinc/46/42/53/1273464253.db2.gz GKSQQDMGIYKMAV-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c(C)s1 ZINC001035049023 1273465558 /nfs/dbraw/zinc/46/55/58/1273465558.db2.gz LULJHDBYHCFMQG-RDTXWAMCSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001035050214 1273467953 /nfs/dbraw/zinc/46/79/53/1273467953.db2.gz XHBNBOLLBOMOBR-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001035050212 1273468111 /nfs/dbraw/zinc/46/81/11/1273468111.db2.gz XHBNBOLLBOMOBR-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001035050198 1273468796 /nfs/dbraw/zinc/46/87/96/1273468796.db2.gz WVRNIZHTPKJDJI-OXQOHEQNSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C)c1)N(C)C ZINC001035052301 1273469222 /nfs/dbraw/zinc/46/92/22/1273469222.db2.gz JWDHSLGQIOTCHA-UHOSZYNNSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001035051880 1273470080 /nfs/dbraw/zinc/47/00/80/1273470080.db2.gz TVEBWAMIOVTRIM-CRAIPNDOSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001035055517 1273474931 /nfs/dbraw/zinc/47/49/31/1273474931.db2.gz UTGZSFOZHPYCJX-QGTPRVQTSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001035102406 1273516291 /nfs/dbraw/zinc/51/62/91/1273516291.db2.gz HEAIEMKBJGSIPU-JKSUJKDBSA-N 1 3 345.462 2.563 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNCc1ccccc1F ZINC001035131570 1273598358 /nfs/dbraw/zinc/59/83/58/1273598358.db2.gz OLOKBNGYVNKIEB-GOSISDBHSA-N 1 3 347.478 2.782 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001035132015 1273601029 /nfs/dbraw/zinc/60/10/29/1273601029.db2.gz WRZTWRGNUSAWDF-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)C1CCC([NH3+])CC1 ZINC000844221383 1278798033 /nfs/dbraw/zinc/79/80/33/1278798033.db2.gz XYICUADOBDLROZ-UHFFFAOYSA-N 1 3 344.503 2.735 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001035166170 1273633746 /nfs/dbraw/zinc/63/37/46/1273633746.db2.gz JLBMBUOWZYGDJX-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001035166170 1273633755 /nfs/dbraw/zinc/63/37/55/1273633755.db2.gz JLBMBUOWZYGDJX-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)C1CC1 ZINC001035193389 1273812820 /nfs/dbraw/zinc/81/28/20/1273812820.db2.gz AKVDJAULQQJGDQ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)C1CC1 ZINC001035193389 1273812826 /nfs/dbraw/zinc/81/28/26/1273812826.db2.gz AKVDJAULQQJGDQ-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001035194507 1273818419 /nfs/dbraw/zinc/81/84/19/1273818419.db2.gz PCAARXRNZXQIJZ-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001035194507 1273818430 /nfs/dbraw/zinc/81/84/30/1273818430.db2.gz PCAARXRNZXQIJZ-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224743 1273839800 /nfs/dbraw/zinc/83/98/00/1273839800.db2.gz PDPVNKSGPZYXFI-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224743 1273839805 /nfs/dbraw/zinc/83/98/05/1273839805.db2.gz PDPVNKSGPZYXFI-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN2CC[C@H](C)C2)CC3)C1 ZINC001035226300 1273843996 /nfs/dbraw/zinc/84/39/96/1273843996.db2.gz FXEORKULSBPNOH-VIQWUECVSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN2CC[C@H](C)C2)CC3)C1 ZINC001035226300 1273844005 /nfs/dbraw/zinc/84/40/05/1273844005.db2.gz FXEORKULSBPNOH-VIQWUECVSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035227445 1273848678 /nfs/dbraw/zinc/84/86/78/1273848678.db2.gz SHKWRBDLENULKV-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035227445 1273848692 /nfs/dbraw/zinc/84/86/92/1273848692.db2.gz SHKWRBDLENULKV-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227747 1273849112 /nfs/dbraw/zinc/84/91/12/1273849112.db2.gz XHRYBNDMIBQOCJ-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227747 1273849115 /nfs/dbraw/zinc/84/91/15/1273849115.db2.gz XHRYBNDMIBQOCJ-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227431 1273849308 /nfs/dbraw/zinc/84/93/08/1273849308.db2.gz RXQFODCCCVRPKN-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227431 1273849316 /nfs/dbraw/zinc/84/93/16/1273849316.db2.gz RXQFODCCCVRPKN-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1)N(C)C ZINC001035228870 1273853413 /nfs/dbraw/zinc/85/34/13/1273853413.db2.gz DWKHOUPZOFYAMS-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1)N(C)C ZINC001035228870 1273853418 /nfs/dbraw/zinc/85/34/18/1273853418.db2.gz DWKHOUPZOFYAMS-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260531 1273955608 /nfs/dbraw/zinc/95/56/08/1273955608.db2.gz YPKKSRVRODTWGR-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001035260531 1273955614 /nfs/dbraw/zinc/95/56/14/1273955614.db2.gz YPKKSRVRODTWGR-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035260523 1273956064 /nfs/dbraw/zinc/95/60/64/1273956064.db2.gz YKDBGQXOMYEWMG-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792907978 1279259972 /nfs/dbraw/zinc/25/99/72/1279259972.db2.gz QJKWLCIRHXCCGQ-CVEARBPZSA-N 1 3 348.362 2.918 20 0 EFADHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361403 1274191388 /nfs/dbraw/zinc/19/13/88/1274191388.db2.gz VGKYPZIXDSBMLM-BDXSIMOUSA-N 1 3 341.515 2.968 20 0 EFADHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CN(CC)CC)C2 ZINC001109361403 1274191392 /nfs/dbraw/zinc/19/13/92/1274191392.db2.gz VGKYPZIXDSBMLM-BDXSIMOUSA-N 1 3 341.515 2.968 20 0 EFADHO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@H]2CCCN2C)CC3)cc1 ZINC001035669822 1274367812 /nfs/dbraw/zinc/36/78/12/1274367812.db2.gz YHZFITDMKWSZTH-LJQANCHMSA-N 1 3 341.499 2.514 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)CC[N@@H+]1C ZINC001035710762 1274391963 /nfs/dbraw/zinc/39/19/63/1274391963.db2.gz QZZXVGPHNXYQCQ-ZWKOTPCHSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)CC[N@H+]1C ZINC001035710762 1274391969 /nfs/dbraw/zinc/39/19/69/1274391969.db2.gz QZZXVGPHNXYQCQ-ZWKOTPCHSA-N 1 3 333.520 2.607 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1)C1CCC1 ZINC001035722342 1274408777 /nfs/dbraw/zinc/40/87/77/1274408777.db2.gz PKFWFQRXQPHAHB-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@@H+]31)CC2 ZINC001035733604 1274423499 /nfs/dbraw/zinc/42/34/99/1274423499.db2.gz VWSKBSZVVWHXJR-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733604 1274423502 /nfs/dbraw/zinc/42/35/02/1274423502.db2.gz VWSKBSZVVWHXJR-RTBURBONSA-N 1 3 345.531 2.894 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC001035799185 1274497087 /nfs/dbraw/zinc/49/70/87/1274497087.db2.gz VKEOCVFJNFWUAY-KRWDZBQOSA-N 1 3 347.547 2.689 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC1 ZINC001109649916 1274516957 /nfs/dbraw/zinc/51/69/57/1274516957.db2.gz JVKJBDPLQAAPDB-SQNIBIBYSA-N 1 3 331.504 2.550 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035810941 1274541387 /nfs/dbraw/zinc/54/13/87/1274541387.db2.gz XGSCQQBQHHVVMK-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674369 1274547172 /nfs/dbraw/zinc/54/71/72/1274547172.db2.gz FDVQLOKHWUFVLS-HCXYKTFWSA-N 1 3 347.478 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1 ZINC001035858670 1274611511 /nfs/dbraw/zinc/61/15/11/1274611511.db2.gz YJBPGLYKFHJPDN-CTWPCTMYSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001036031720 1274906458 /nfs/dbraw/zinc/90/64/58/1274906458.db2.gz XNILIYPIPGBYKA-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)c1 ZINC001110002805 1274975397 /nfs/dbraw/zinc/97/53/97/1274975397.db2.gz VXLHIVLZYQMEDI-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC001036052607 1274975870 /nfs/dbraw/zinc/97/58/70/1274975870.db2.gz BJFLAULKCZBVSE-HKUYNNGSSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001036052837 1274976398 /nfs/dbraw/zinc/97/63/98/1274976398.db2.gz CDDAVRPFDMACBN-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC001036052845 1274976904 /nfs/dbraw/zinc/97/69/04/1274976904.db2.gz CDWPLSDGCAYKRA-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001036055064 1274981133 /nfs/dbraw/zinc/98/11/33/1274981133.db2.gz NGCGBHPUWTXNCJ-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001036056910 1274983829 /nfs/dbraw/zinc/98/38/29/1274983829.db2.gz WROYQAUBHPTJCP-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036060758 1274988658 /nfs/dbraw/zinc/98/86/58/1274988658.db2.gz BZIRFDXABNHNTP-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036063410 1274992703 /nfs/dbraw/zinc/99/27/03/1274992703.db2.gz QJONAUXGEZKYJN-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036063409 1274992939 /nfs/dbraw/zinc/99/29/39/1274992939.db2.gz QJONAUXGEZKYJN-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036063412 1274994644 /nfs/dbraw/zinc/99/46/44/1274994644.db2.gz QJONAUXGEZKYJN-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001036069641 1275025624 /nfs/dbraw/zinc/02/56/24/1275025624.db2.gz ZBMKSPFCZBIEKE-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001112548572 1275128905 /nfs/dbraw/zinc/12/89/05/1275128905.db2.gz GVAAMBUMLIDWEM-RXVVDRJESA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001036182357 1275180451 /nfs/dbraw/zinc/18/04/51/1275180451.db2.gz MUFKPCDATUWVMZ-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001036209330 1275229917 /nfs/dbraw/zinc/22/99/17/1275229917.db2.gz XYYJEIQBOHMREH-BEFAXECRSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)s1 ZINC001036191902 1275248997 /nfs/dbraw/zinc/24/89/97/1275248997.db2.gz FTJHJRJBFUURMP-PXAZEXFGSA-N 1 3 346.500 2.657 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001112585659 1275309122 /nfs/dbraw/zinc/30/91/22/1275309122.db2.gz KQFXKVUYVULITP-RXVVDRJESA-N 1 3 349.563 2.981 20 0 EFADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1CC)C2 ZINC001112585897 1275309150 /nfs/dbraw/zinc/30/91/50/1275309150.db2.gz XXNJEYYGNBAWAS-BJLQDIEVSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CC2)C1 ZINC001112585755 1275309258 /nfs/dbraw/zinc/30/92/58/1275309258.db2.gz PNZKIHZPMCBHCL-ZVDOUQERSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCCCF)C1 ZINC001112586291 1275313019 /nfs/dbraw/zinc/31/30/19/1275313019.db2.gz RLDJSOLRFZGMBM-HKUYNNGSSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN2CCC(C)CC2)C1 ZINC001036455096 1275681828 /nfs/dbraw/zinc/68/18/28/1275681828.db2.gz GAQLQTCVFTXZGA-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001170083657 1276111029 /nfs/dbraw/zinc/11/10/29/1276111029.db2.gz XZHYCZJZGXLGDJ-YRXWBPOGSA-N 1 3 333.524 2.888 20 0 EFADHO CC(C)CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001170083657 1276111031 /nfs/dbraw/zinc/11/10/31/1276111031.db2.gz XZHYCZJZGXLGDJ-YRXWBPOGSA-N 1 3 333.524 2.888 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135975743 1276273712 /nfs/dbraw/zinc/27/37/12/1276273712.db2.gz BRLUEGSLNMTRFT-NWDGAFQWSA-N 1 3 346.928 2.511 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1CC ZINC001135975842 1276274239 /nfs/dbraw/zinc/27/42/39/1276274239.db2.gz DKFZVMBGNNFCPW-DLBZAZTESA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135976689 1276274947 /nfs/dbraw/zinc/27/49/47/1276274947.db2.gz LTSNRALODGVHKD-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135977558 1276275660 /nfs/dbraw/zinc/27/56/60/1276275660.db2.gz VPBPEUAEXUUNLE-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001135977700 1276276212 /nfs/dbraw/zinc/27/62/12/1276276212.db2.gz XPASVXSHDYXSLP-SJORKVTESA-N 1 3 333.520 2.964 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cc1 ZINC001136031568 1276340331 /nfs/dbraw/zinc/34/03/31/1276340331.db2.gz MVLNCZJNMFZMHP-HUUCEWRRSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001136031572 1276340621 /nfs/dbraw/zinc/34/06/21/1276340621.db2.gz MVUBTGCVRBRSLG-UONOGXRCSA-N 1 3 346.450 2.515 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001136031885 1276340974 /nfs/dbraw/zinc/34/09/74/1276340974.db2.gz RWPXUOUYDPCHKM-ZIAGYGMSSA-N 1 3 346.450 2.803 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001136032240 1276341279 /nfs/dbraw/zinc/34/12/79/1276341279.db2.gz XVHGVWLYVLWHCN-HZPDHXFCSA-N 1 3 342.487 2.685 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1C ZINC001136032056 1276341859 /nfs/dbraw/zinc/34/18/59/1276341859.db2.gz VHEPMQFZNXRGEI-HUUCEWRRSA-N 1 3 328.460 2.642 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCCN1 ZINC000817896980 1276366818 /nfs/dbraw/zinc/36/68/18/1276366818.db2.gz AVRUGPPCGSWQHK-JXFKEZNVSA-N 1 3 330.520 2.842 20 0 EFADHO C[C@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817896980 1276366819 /nfs/dbraw/zinc/36/68/19/1276366819.db2.gz AVRUGPPCGSWQHK-JXFKEZNVSA-N 1 3 330.520 2.842 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817901258 1276366862 /nfs/dbraw/zinc/36/68/62/1276366862.db2.gz UNJUJVLAUIYCIJ-KCPJHIHWSA-N 1 3 332.366 2.596 20 0 EFADHO C[C@@H](CCCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CCNCC1 ZINC000817935117 1276381043 /nfs/dbraw/zinc/38/10/43/1276381043.db2.gz GXCFILSUCKVVDI-HNNXBMFYSA-N 1 3 343.471 2.573 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000817935933 1276383266 /nfs/dbraw/zinc/38/32/66/1276383266.db2.gz PZJSWKUKUICZNE-ILXRZTDVSA-N 1 3 327.266 2.732 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000818985904 1276563278 /nfs/dbraw/zinc/56/32/78/1276563278.db2.gz ZNIPKKBNDXFSOD-QGZVFWFLSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000818985904 1276563283 /nfs/dbraw/zinc/56/32/83/1276563283.db2.gz ZNIPKKBNDXFSOD-QGZVFWFLSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819151391 1276629908 /nfs/dbraw/zinc/62/99/08/1276629908.db2.gz BDZDNOWLUNSDIJ-QGZVFWFLSA-N 1 3 346.519 2.649 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819151391 1276629921 /nfs/dbraw/zinc/62/99/21/1276629921.db2.gz BDZDNOWLUNSDIJ-QGZVFWFLSA-N 1 3 346.519 2.649 20 0 EFADHO C[C@H]1C[N@H+](CCCNC[C@H](O)c2cccc3ccccc32)CCCO1 ZINC000819264919 1276717121 /nfs/dbraw/zinc/71/71/21/1276717121.db2.gz IKPVIGAMPPWXCR-UWJYYQICSA-N 1 3 342.483 2.964 20 0 EFADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)c2cccc3ccccc32)CCCO1 ZINC000819264919 1276717134 /nfs/dbraw/zinc/71/71/34/1276717134.db2.gz IKPVIGAMPPWXCR-UWJYYQICSA-N 1 3 342.483 2.964 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC001005935606 1276962083 /nfs/dbraw/zinc/96/20/83/1276962083.db2.gz YIDYLDOUNWGRML-UHFFFAOYSA-N 1 3 349.544 2.821 20 0 EFADHO C[N@H+](CCC(=O)N1CCN(CC2CCCC2)CC1)C1CCCCC1 ZINC001113156417 1277113506 /nfs/dbraw/zinc/11/35/06/1277113506.db2.gz DHMGXOPSRPFULB-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CCC(=O)N1CCN(CC2CCCC2)CC1)C1CCCCC1 ZINC001113156417 1277113522 /nfs/dbraw/zinc/11/35/22/1277113522.db2.gz DHMGXOPSRPFULB-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[NH+]1CCC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005984812 1277270943 /nfs/dbraw/zinc/27/09/43/1277270943.db2.gz BPKMZBUDQIBASJ-IBGZPJMESA-N 1 3 341.515 2.922 20 0 EFADHO CC(=O)Nc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820809468 1277316347 /nfs/dbraw/zinc/31/63/47/1277316347.db2.gz BHDAGFNNYLQVQU-CTXDPNEZSA-N 1 3 327.472 2.935 20 0 EFADHO CC(=O)Nc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000820809468 1277316352 /nfs/dbraw/zinc/31/63/52/1277316352.db2.gz BHDAGFNNYLQVQU-CTXDPNEZSA-N 1 3 327.472 2.935 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)CN2CCC[C@H]2C)CC1 ZINC001005995966 1277365636 /nfs/dbraw/zinc/36/56/36/1277365636.db2.gz KEXISUMREJFVDR-GOSISDBHSA-N 1 3 343.515 2.902 20 0 EFADHO CC1CC(C[NH+]2CCC(N(C)C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001005995963 1277366390 /nfs/dbraw/zinc/36/63/90/1277366390.db2.gz ASBPXTMWHPHFTA-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001006002423 1277393621 /nfs/dbraw/zinc/39/36/21/1277393621.db2.gz VXGNTNBPCTWMKJ-IBGZPJMESA-N 1 3 339.499 2.532 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000923267417 1277420921 /nfs/dbraw/zinc/42/09/21/1277420921.db2.gz FQOBBBUBLXTOSC-VQTJNVASSA-N 1 3 341.499 2.981 20 0 EFADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000923262809 1277427503 /nfs/dbraw/zinc/42/75/03/1277427503.db2.gz XCGOGNSKLGCSDH-AQNXPRMDSA-N 1 3 341.499 2.805 20 0 EFADHO CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000923262809 1277427506 /nfs/dbraw/zinc/42/75/06/1277427506.db2.gz XCGOGNSKLGCSDH-AQNXPRMDSA-N 1 3 341.499 2.805 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000923299800 1277509388 /nfs/dbraw/zinc/50/93/88/1277509388.db2.gz WZCOULGLZNVTJU-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000923299800 1277509394 /nfs/dbraw/zinc/50/93/94/1277509394.db2.gz WZCOULGLZNVTJU-HSALFYBXSA-N 1 3 341.499 2.594 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001086592458 1277880074 /nfs/dbraw/zinc/88/00/74/1277880074.db2.gz OBJFJJIBVBJALM-HSALFYBXSA-N 1 3 343.515 2.853 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086592458 1277880079 /nfs/dbraw/zinc/88/00/79/1277880079.db2.gz OBJFJJIBVBJALM-HSALFYBXSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001175115580 1287314877 /nfs/dbraw/zinc/31/48/77/1287314877.db2.gz RTQAXOZBACPDGH-GDBMZVCRSA-N 1 3 347.494 2.883 20 0 EFADHO CCc1cc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc(CC)c1O ZINC001144147824 1279172380 /nfs/dbraw/zinc/17/23/80/1279172380.db2.gz HRHRAEMDMHRGKI-UHFFFAOYSA-N 1 3 345.531 2.729 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC000792907978 1279259964 /nfs/dbraw/zinc/25/99/64/1279259964.db2.gz QJKWLCIRHXCCGQ-CVEARBPZSA-N 1 3 348.362 2.918 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC001091058157 1279472567 /nfs/dbraw/zinc/47/25/67/1279472567.db2.gz LPKYASOSDUAGMK-KVZIAJEVSA-N 1 3 347.478 2.685 20 0 EFADHO C[NH+]1CC2(C1)CCN(Cc1ccc(OCC(F)(F)F)nc1)CC2 ZINC001144356202 1279473047 /nfs/dbraw/zinc/47/30/47/1279473047.db2.gz IDJYYDQGIMEYJP-UHFFFAOYSA-N 1 3 329.366 2.550 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001091058346 1279473849 /nfs/dbraw/zinc/47/38/49/1279473849.db2.gz NLUZXOZYWMIGGS-SOAGJPPSSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001091059821 1279485397 /nfs/dbraw/zinc/48/53/97/1279485397.db2.gz ZXFXLFXHFPRQPA-HTWSVDAQSA-N 1 3 349.544 2.649 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(C)cccc3C)C[C@H]21 ZINC001114488135 1287362674 /nfs/dbraw/zinc/36/26/74/1287362674.db2.gz HKHLXIBMQIRVRP-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]21 ZINC001114488135 1287362685 /nfs/dbraw/zinc/36/26/85/1287362685.db2.gz HKHLXIBMQIRVRP-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001114488585 1287372640 /nfs/dbraw/zinc/37/26/40/1287372640.db2.gz PPSKDKGJSIZZBI-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001114488585 1287372645 /nfs/dbraw/zinc/37/26/45/1287372645.db2.gz PPSKDKGJSIZZBI-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295926 1287376963 /nfs/dbraw/zinc/37/69/63/1287376963.db2.gz LMPHCVCEKYRKES-QGZVFWFLSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175257062 1287381766 /nfs/dbraw/zinc/38/17/66/1287381766.db2.gz TVAZVFIXHSEIIL-QZTJIDSGSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271809 1287387308 /nfs/dbraw/zinc/38/73/08/1287387308.db2.gz DPSHTKUQWPTMFZ-JKSUJKDBSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN1CCC(C)(C)C1 ZINC001175271367 1287387375 /nfs/dbraw/zinc/38/73/75/1287387375.db2.gz AIZUOAGMHNAFNZ-PPYMECGQSA-N 1 3 329.916 2.735 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1)N(C)C ZINC001175306432 1287394899 /nfs/dbraw/zinc/39/48/99/1287394899.db2.gz SIADXVMPDBDWTM-RDJZCZTQSA-N 1 3 339.549 2.895 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114263825 1280068039 /nfs/dbraw/zinc/06/80/39/1280068039.db2.gz ZPMGRMDXASUJJL-XDNAFOTISA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114263825 1280068048 /nfs/dbraw/zinc/06/80/48/1280068048.db2.gz ZPMGRMDXASUJJL-XDNAFOTISA-N 1 3 335.536 2.732 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000794148969 1280072877 /nfs/dbraw/zinc/07/28/77/1280072877.db2.gz WESULXHVLYCXTK-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000794148969 1280072884 /nfs/dbraw/zinc/07/28/84/1280072884.db2.gz WESULXHVLYCXTK-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3CCC[C@H](C)[C@H]3CC[NH3+])ccc12 ZINC000846227041 1280075442 /nfs/dbraw/zinc/07/54/42/1280075442.db2.gz YVFZVJZADNZDHO-KBXCAEBGSA-N 1 3 344.455 2.930 20 0 EFADHO COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](O)CN1CCCC1)CCCC2 ZINC000872028431 1287404552 /nfs/dbraw/zinc/40/45/52/1287404552.db2.gz RGZWOSWDKFQXJK-WMZOPIPTSA-N 1 3 348.487 2.518 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001175316687 1287399617 /nfs/dbraw/zinc/39/96/17/1287399617.db2.gz LEAUNQVLUKEWBN-UJWMVZFISA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001175318139 1287400338 /nfs/dbraw/zinc/40/03/38/1287400338.db2.gz WIPPLEUCVVRWTN-HIFRSBDPSA-N 1 3 333.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001175318345 1287401159 /nfs/dbraw/zinc/40/11/59/1287401159.db2.gz YPBQFSKQVSVACA-LPHOPBHVSA-N 1 3 349.519 2.800 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001175318396 1287401483 /nfs/dbraw/zinc/40/14/83/1287401483.db2.gz ZSRFTPRFBAPBAI-YJBOKZPZSA-N 1 3 337.483 2.931 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001129409988 1280179461 /nfs/dbraw/zinc/17/94/61/1280179461.db2.gz AAVARJUMQFWNIM-QGZVFWFLSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1cc2ccccc2o1 ZINC001129409988 1280179467 /nfs/dbraw/zinc/17/94/67/1280179467.db2.gz AAVARJUMQFWNIM-QGZVFWFLSA-N 1 3 343.471 2.902 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)C1CC1 ZINC001129444596 1280190826 /nfs/dbraw/zinc/19/08/26/1280190826.db2.gz WBXMFEXMTHFVKT-VMWRSERWSA-N 1 3 337.552 2.885 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(F)c(Cl)c1 ZINC001129454223 1280195809 /nfs/dbraw/zinc/19/58/09/1280195809.db2.gz HPMADNWKNDEOCI-MEDUHNTESA-N 1 3 341.858 2.586 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532430 1280234922 /nfs/dbraw/zinc/23/49/22/1280234922.db2.gz ZXMRFMGTOIUFEH-UHFFFAOYSA-N 1 3 339.483 2.838 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001171235109 1280279980 /nfs/dbraw/zinc/27/99/80/1280279980.db2.gz DZELFKUGMSKPQL-CQSZACIVSA-N 1 3 345.478 2.781 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001171237146 1280302033 /nfs/dbraw/zinc/30/20/33/1280302033.db2.gz PGHPXDHPSKVDCU-OAHLLOKOSA-N 1 3 337.533 2.997 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234976 1280308901 /nfs/dbraw/zinc/30/89/01/1280308901.db2.gz AVFNGADZCPZCKW-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001129841596 1280352314 /nfs/dbraw/zinc/35/23/14/1280352314.db2.gz PBBYGXIBLXXZNV-UKRRQHHQSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC001129841596 1280352321 /nfs/dbraw/zinc/35/23/21/1280352321.db2.gz PBBYGXIBLXXZNV-UKRRQHHQSA-N 1 3 339.430 2.606 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849634 1280354473 /nfs/dbraw/zinc/35/44/73/1280354473.db2.gz ODSYPZDMGARIAH-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849634 1280354479 /nfs/dbraw/zinc/35/44/79/1280354479.db2.gz ODSYPZDMGARIAH-GOSISDBHSA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)COc1cccc(C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001129950527 1280377997 /nfs/dbraw/zinc/37/79/97/1280377997.db2.gz WCSGRCIGJKYYPL-IBGZPJMESA-N 1 3 349.519 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001129950705 1280378377 /nfs/dbraw/zinc/37/83/77/1280378377.db2.gz XBDXWMVHGLVYRL-KXBFYZLASA-N 1 3 331.504 2.528 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001129954056 1280379759 /nfs/dbraw/zinc/37/97/59/1280379759.db2.gz XQWQDCGAEZZZLI-BBRMVZONSA-N 1 3 325.884 2.693 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129947281 1280381892 /nfs/dbraw/zinc/38/18/92/1280381892.db2.gz ROUWCMLQABOANC-FQEVSTJZSA-N 1 3 341.499 2.940 20 0 EFADHO [NH3+]CCOc1cccc(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000846664711 1280382299 /nfs/dbraw/zinc/38/22/99/1280382299.db2.gz AMWVZIAZDXCBKG-UONOGXRCSA-N 1 3 346.349 2.710 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186492 1280554126 /nfs/dbraw/zinc/55/41/26/1280554126.db2.gz HNQKTEJPTBSCRM-WMZOPIPTSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186492 1280554134 /nfs/dbraw/zinc/55/41/34/1280554134.db2.gz HNQKTEJPTBSCRM-WMZOPIPTSA-N 1 3 341.455 2.656 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1)N(C)C ZINC001130200396 1280585020 /nfs/dbraw/zinc/58/50/20/1280585020.db2.gz IDDGBCJFOUKLPP-HNAYVOBHSA-N 1 3 327.472 2.947 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@H](C1CCC1)C(F)(F)F ZINC001160774057 1280624228 /nfs/dbraw/zinc/62/42/28/1280624228.db2.gz PACXECQXUCWBAD-UONOGXRCSA-N 1 3 337.430 2.671 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176284398 1287922892 /nfs/dbraw/zinc/92/28/92/1287922892.db2.gz FUUIQGONUMHIFV-HNNXBMFYSA-N 1 3 325.522 2.855 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001171261076 1280695441 /nfs/dbraw/zinc/69/54/41/1280695441.db2.gz PQBHVELJWUVGRC-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[C@@H](C(F)(F)F)O1 ZINC000872154690 1287449896 /nfs/dbraw/zinc/44/98/96/1287449896.db2.gz WGZZJGLLWRNJGS-LRDDRELGSA-N 1 3 328.378 2.874 20 0 EFADHO C[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)CC[C@H](C(F)(F)F)O1 ZINC000872154691 1287450317 /nfs/dbraw/zinc/45/03/17/1287450317.db2.gz WGZZJGLLWRNJGS-MLGOLLRUSA-N 1 3 328.378 2.874 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCOc1ccc(C)c(C)c1 ZINC001130422107 1280851745 /nfs/dbraw/zinc/85/17/45/1280851745.db2.gz WWEFTJSGUPIUGE-UHFFFAOYSA-N 1 3 349.519 2.508 20 0 EFADHO CC[C@H](NCCNC(=O)C(C)(C)[N@H+](C)CC)c1ccc(F)cc1F ZINC001130426796 1280860996 /nfs/dbraw/zinc/86/09/96/1280860996.db2.gz CGCZNGSSXDXJOW-INIZCTEOSA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@H](NCCNC(=O)C(C)(C)[N@@H+](C)CC)c1ccc(F)cc1F ZINC001130426796 1280861002 /nfs/dbraw/zinc/86/10/02/1280861002.db2.gz CGCZNGSSXDXJOW-INIZCTEOSA-N 1 3 341.446 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001146592672 1280944823 /nfs/dbraw/zinc/94/48/23/1280944823.db2.gz KHFSZNVGBALDHP-ZIAGYGMSSA-N 1 3 339.446 2.932 20 0 EFADHO COCc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146592295 1280944969 /nfs/dbraw/zinc/94/49/69/1280944969.db2.gz JAMWCCASWAPLTG-DLBZAZTESA-N 1 3 349.519 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001146590836 1280945514 /nfs/dbraw/zinc/94/55/14/1280945514.db2.gz BVKVKPMNXVCGHZ-HOTGVXAUSA-N 1 3 337.483 2.869 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001146590878 1280945577 /nfs/dbraw/zinc/94/55/77/1280945577.db2.gz CQKSZAMGNGFDTM-JKSUJKDBSA-N 1 3 339.549 2.894 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001146590817 1280946279 /nfs/dbraw/zinc/94/62/79/1280946279.db2.gz BKSDFVJEGYEAIS-UONOGXRCSA-N 1 3 341.446 2.678 20 0 EFADHO Cc1cccc(OCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146600918 1280948706 /nfs/dbraw/zinc/94/87/06/1280948706.db2.gz JNMULOGVJQOFPX-ZWKOTPCHSA-N 1 3 349.519 2.587 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001146600364 1280948868 /nfs/dbraw/zinc/94/88/68/1280948868.db2.gz GJKKOOZMNJONKF-MSOLQXFVSA-N 1 3 349.519 2.669 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001146600402 1280949150 /nfs/dbraw/zinc/94/91/50/1280949150.db2.gz GUPRVTJJVKNCGN-HZPDHXFCSA-N 1 3 344.503 2.881 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001146600397 1280949217 /nfs/dbraw/zinc/94/92/17/1280949217.db2.gz GUPRVTJJVKNCGN-CVEARBPZSA-N 1 3 344.503 2.881 20 0 EFADHO COc1ccc(C)cc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600319 1280949238 /nfs/dbraw/zinc/94/92/38/1280949238.db2.gz FWYKXRGLOQPYLD-SJORKVTESA-N 1 3 349.519 2.717 20 0 EFADHO COc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1C ZINC001146600375 1280949289 /nfs/dbraw/zinc/94/92/89/1280949289.db2.gz GMXBYUXHRWQMFA-JKSUJKDBSA-N 1 3 349.519 2.717 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001146705924 1281002512 /nfs/dbraw/zinc/00/25/12/1281002512.db2.gz YQVGBSLERXRQRE-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001146705924 1281002522 /nfs/dbraw/zinc/00/25/22/1281002522.db2.gz YQVGBSLERXRQRE-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001146718866 1281012500 /nfs/dbraw/zinc/01/25/00/1281012500.db2.gz IVBUFPJXPIWMQY-UHFFFAOYSA-N 1 3 337.467 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001146718866 1281012513 /nfs/dbraw/zinc/01/25/13/1281012513.db2.gz IVBUFPJXPIWMQY-UHFFFAOYSA-N 1 3 337.467 2.804 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1cccc(F)c1 ZINC001130614628 1281049072 /nfs/dbraw/zinc/04/90/72/1281049072.db2.gz BZWLBFNXXKOCKK-UHFFFAOYSA-N 1 3 335.467 2.685 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCCNCc1cccc(F)c1 ZINC001130614628 1281049079 /nfs/dbraw/zinc/04/90/79/1281049079.db2.gz BZWLBFNXXKOCKK-UHFFFAOYSA-N 1 3 335.467 2.685 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001147826231 1281305394 /nfs/dbraw/zinc/30/53/94/1281305394.db2.gz SQEVZLUPOWKJJG-IRXDYDNUSA-N 1 3 343.471 2.759 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147836072 1281312593 /nfs/dbraw/zinc/31/25/93/1281312593.db2.gz PPCBSJXWISOGHN-KTKRTIGZSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)C(C)(C)N(C)CC)C2)C1 ZINC001147836072 1281312600 /nfs/dbraw/zinc/31/26/00/1281312600.db2.gz PPCBSJXWISOGHN-KTKRTIGZSA-N 1 3 335.536 2.997 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCc2cc(Cl)cc(Cl)c2)C1 ZINC001147886466 1281322770 /nfs/dbraw/zinc/32/27/70/1281322770.db2.gz WZCAQGYTYQNEMD-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NCCNCc2cc(Cl)cc(Cl)c2)C1 ZINC001147886466 1281322778 /nfs/dbraw/zinc/32/27/78/1281322778.db2.gz WZCAQGYTYQNEMD-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NCCNC2c3ccccc3-c3ccccc32)C1 ZINC001147885196 1281340921 /nfs/dbraw/zinc/34/09/21/1281340921.db2.gz JXRCNBWVRATTKU-MRXNPFEDSA-N 1 3 349.478 2.804 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NCCNC2c3ccccc3-c3ccccc32)C1 ZINC001147885196 1281340927 /nfs/dbraw/zinc/34/09/27/1281340927.db2.gz JXRCNBWVRATTKU-MRXNPFEDSA-N 1 3 349.478 2.804 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174801 1281441908 /nfs/dbraw/zinc/44/19/08/1281441908.db2.gz WCLPXDHZJDGKDV-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292312 1281496759 /nfs/dbraw/zinc/49/67/59/1281496759.db2.gz IRAKMTFMCJYUGJ-MSOLQXFVSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292312 1281496761 /nfs/dbraw/zinc/49/67/61/1281496761.db2.gz IRAKMTFMCJYUGJ-MSOLQXFVSA-N 1 3 335.536 2.545 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148469730 1281564997 /nfs/dbraw/zinc/56/49/97/1281564997.db2.gz RWMXJQIWJUEIAD-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H]1CCc3ccccc31)C2 ZINC001148469730 1281565008 /nfs/dbraw/zinc/56/50/08/1281565008.db2.gz RWMXJQIWJUEIAD-LJQANCHMSA-N 1 3 341.499 2.550 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)CCC1 ZINC001091735515 1281648068 /nfs/dbraw/zinc/64/80/68/1281648068.db2.gz SREXOSKTHVSZEM-XLIONFOSSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CC4CC(C)(C)C4)C[C@@]3(C)C2)CCC1 ZINC001091735515 1281648073 /nfs/dbraw/zinc/64/80/73/1281648073.db2.gz SREXOSKTHVSZEM-XLIONFOSSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CC4=CCCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735565 1281649205 /nfs/dbraw/zinc/64/92/05/1281649205.db2.gz VKNBMAYNZFFTNJ-QUCCMNQESA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CC4=CCCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735565 1281649216 /nfs/dbraw/zinc/64/92/16/1281649216.db2.gz VKNBMAYNZFFTNJ-QUCCMNQESA-N 1 3 345.531 2.751 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001148642425 1281669278 /nfs/dbraw/zinc/66/92/78/1281669278.db2.gz IKCNBGSLTYRLNT-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1C)C2 ZINC001148647341 1281671652 /nfs/dbraw/zinc/67/16/52/1281671652.db2.gz SPEFECCKJCQGRN-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1C)C2 ZINC001148647341 1281671665 /nfs/dbraw/zinc/67/16/65/1281671665.db2.gz SPEFECCKJCQGRN-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(F)cc1C)C2 ZINC001148651392 1281674549 /nfs/dbraw/zinc/67/45/49/1281674549.db2.gz FFJXXLCYBJTRNJ-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1C)C2 ZINC001148651392 1281674554 /nfs/dbraw/zinc/67/45/54/1281674554.db2.gz FFJXXLCYBJTRNJ-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091743248 1281727212 /nfs/dbraw/zinc/72/72/12/1281727212.db2.gz NUFCYIUTLPINPV-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@]2(C)C1 ZINC001091743248 1281727216 /nfs/dbraw/zinc/72/72/16/1281727216.db2.gz NUFCYIUTLPINPV-XLIONFOSSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834220 1281759253 /nfs/dbraw/zinc/75/92/53/1281759253.db2.gz YKWUXWADYHSOOE-OOFWQKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148834220 1281759262 /nfs/dbraw/zinc/75/92/62/1281759262.db2.gz YKWUXWADYHSOOE-OOFWQKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148838577 1281778524 /nfs/dbraw/zinc/77/85/24/1281778524.db2.gz AUCBHDZQZHVHER-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC001148838577 1281778534 /nfs/dbraw/zinc/77/85/34/1281778534.db2.gz AUCBHDZQZHVHER-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148838578 1281779277 /nfs/dbraw/zinc/77/92/77/1281779277.db2.gz AUCBHDZQZHVHER-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148838578 1281779284 /nfs/dbraw/zinc/77/92/84/1281779284.db2.gz AUCBHDZQZHVHER-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148839960 1281780701 /nfs/dbraw/zinc/78/07/01/1281780701.db2.gz WFZKCMVCVUMNGD-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148839960 1281780711 /nfs/dbraw/zinc/78/07/11/1281780711.db2.gz WFZKCMVCVUMNGD-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001148845009 1281782518 /nfs/dbraw/zinc/78/25/18/1281782518.db2.gz QHIVCXBNKNLBCF-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001148845009 1281782527 /nfs/dbraw/zinc/78/25/27/1281782527.db2.gz QHIVCXBNKNLBCF-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758868 1281795241 /nfs/dbraw/zinc/79/52/41/1281795241.db2.gz PBMIADXDTNLLSA-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758868 1281795249 /nfs/dbraw/zinc/79/52/49/1281795249.db2.gz PBMIADXDTNLLSA-DYXWJJEUSA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758648 1281795580 /nfs/dbraw/zinc/79/55/80/1281795580.db2.gz GXNVAQPVFKHEQA-HBFSDRIKSA-N 1 3 337.552 2.789 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001091758648 1281795583 /nfs/dbraw/zinc/79/55/83/1281795583.db2.gz GXNVAQPVFKHEQA-HBFSDRIKSA-N 1 3 337.552 2.789 20 0 EFADHO CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000872297304 1287527929 /nfs/dbraw/zinc/52/79/29/1287527929.db2.gz KWVQNAVTAYFBFW-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC001086881969 1281871595 /nfs/dbraw/zinc/87/15/95/1281871595.db2.gz UJVFWWXZDFFPQS-QFBILLFUSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CCCF)CC2 ZINC001086927139 1281949821 /nfs/dbraw/zinc/94/98/21/1281949821.db2.gz TWNKHJJVRFLDOZ-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941302 1281970301 /nfs/dbraw/zinc/97/03/01/1281970301.db2.gz PMENKIBISBKQIP-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001086942144 1281971855 /nfs/dbraw/zinc/97/18/55/1281971855.db2.gz KBCJFEJRPFSWQQ-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942177 1281972658 /nfs/dbraw/zinc/97/26/58/1281972658.db2.gz KRHVYIHHOPCGGB-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C[C@H]2C)CC[NH+](CC2CCC2)CC3)C1 ZINC001086942699 1281973877 /nfs/dbraw/zinc/97/38/77/1281973877.db2.gz YNEMVQZOCUIHJC-QZTJIDSGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)Cc1c[nH]cn1)CC[NH+](CC1CCCC1)CC2 ZINC001086946044 1281982200 /nfs/dbraw/zinc/98/22/00/1281982200.db2.gz OPBLOBPJMBOCLL-MRXNPFEDSA-N 1 3 344.503 2.845 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001086928569 1281991572 /nfs/dbraw/zinc/99/15/72/1281991572.db2.gz HMFQMZKQYQMPFC-QZTJIDSGSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780362 1282148383 /nfs/dbraw/zinc/14/83/83/1282148383.db2.gz HKCXXTLMUHQSHP-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C)C[C@@]2(C)C1)N(C)C ZINC001091780362 1282148392 /nfs/dbraw/zinc/14/83/92/1282148392.db2.gz HKCXXTLMUHQSHP-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091783099 1282152380 /nfs/dbraw/zinc/15/23/80/1282152380.db2.gz SJAJZAXFUBBIBF-SBHAEUEKSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091783099 1282152385 /nfs/dbraw/zinc/15/23/85/1282152385.db2.gz SJAJZAXFUBBIBF-SBHAEUEKSA-N 1 3 347.547 2.997 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001175787760 1287553076 /nfs/dbraw/zinc/55/30/76/1287553076.db2.gz WUDBVLJIRQSJQE-CQSZACIVSA-N 1 3 333.467 2.638 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001175787687 1287553163 /nfs/dbraw/zinc/55/31/63/1287553163.db2.gz WONPYNXYSDJYNF-CYBMUJFWSA-N 1 3 338.323 2.912 20 0 EFADHO CC(C)COCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171370632 1282209624 /nfs/dbraw/zinc/20/96/24/1282209624.db2.gz ZIDOMGMIOXJYRD-MSOLQXFVSA-N 1 3 343.556 2.510 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809605782 1282313361 /nfs/dbraw/zinc/31/33/61/1282313361.db2.gz ILOUOKQPSAGNGD-CQSZACIVSA-N 1 3 339.505 2.790 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809605782 1282313364 /nfs/dbraw/zinc/31/33/64/1282313364.db2.gz ILOUOKQPSAGNGD-CQSZACIVSA-N 1 3 339.505 2.790 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013366 1282337880 /nfs/dbraw/zinc/33/78/80/1282337880.db2.gz OJTGZGGOVOBAAC-QFUCXCTJSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013366 1282337888 /nfs/dbraw/zinc/33/78/88/1282337888.db2.gz OJTGZGGOVOBAAC-QFUCXCTJSA-N 1 3 345.531 2.609 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014927 1282339467 /nfs/dbraw/zinc/33/94/67/1282339467.db2.gz HCEGJEICTLPIQD-UTKZUKDTSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014927 1282339477 /nfs/dbraw/zinc/33/94/77/1282339477.db2.gz HCEGJEICTLPIQD-UTKZUKDTSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022297 1282341786 /nfs/dbraw/zinc/34/17/86/1282341786.db2.gz RMWIQOOSXDCTGV-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022297 1282341795 /nfs/dbraw/zinc/34/17/95/1282341795.db2.gz RMWIQOOSXDCTGV-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021754 1282342710 /nfs/dbraw/zinc/34/27/10/1282342710.db2.gz HKWBGSJNRWTHLP-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021754 1282342712 /nfs/dbraw/zinc/34/27/12/1282342712.db2.gz HKWBGSJNRWTHLP-HBFSDRIKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071352 1282368470 /nfs/dbraw/zinc/36/84/70/1282368470.db2.gz SBJPDRBILBPYCV-SBHAEUEKSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071352 1282368480 /nfs/dbraw/zinc/36/84/80/1282368480.db2.gz SBJPDRBILBPYCV-SBHAEUEKSA-N 1 3 347.547 2.996 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCC1=CCCCC1)C2 ZINC001092049352 1282393524 /nfs/dbraw/zinc/39/35/24/1282393524.db2.gz ALRMCGRMBVGYLY-XLIONFOSSA-N 1 3 342.487 2.623 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCC1=CCCCC1)C2 ZINC001092049352 1282393532 /nfs/dbraw/zinc/39/35/32/1282393532.db2.gz ALRMCGRMBVGYLY-XLIONFOSSA-N 1 3 342.487 2.623 20 0 EFADHO Cc1ccc(CNCCNC(=O)CC[N@@H+](C)C2CCCCC2)cc1F ZINC001131819166 1282404708 /nfs/dbraw/zinc/40/47/08/1282404708.db2.gz MXHRHSGDPDEJCO-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO Cc1ccc(CNCCNC(=O)CC[N@H+](C)C2CCCCC2)cc1F ZINC001131819166 1282404712 /nfs/dbraw/zinc/40/47/12/1282404712.db2.gz MXHRHSGDPDEJCO-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298101 1282546257 /nfs/dbraw/zinc/54/62/57/1282546257.db2.gz NCSBEPUIDWVHQU-CTNGQTDRSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298101 1282546268 /nfs/dbraw/zinc/54/62/68/1282546268.db2.gz NCSBEPUIDWVHQU-CTNGQTDRSA-N 1 3 343.515 2.798 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001092658261 1282914715 /nfs/dbraw/zinc/91/47/15/1282914715.db2.gz NLCIKKGOMWOIGJ-KURKYZTESA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001092658261 1282914723 /nfs/dbraw/zinc/91/47/23/1282914723.db2.gz NLCIKKGOMWOIGJ-KURKYZTESA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810189302 1283024698 /nfs/dbraw/zinc/02/46/98/1283024698.db2.gz BCRLCPGARQXCQY-IBGZPJMESA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810189302 1283024713 /nfs/dbraw/zinc/02/47/13/1283024713.db2.gz BCRLCPGARQXCQY-IBGZPJMESA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132140204 1283034902 /nfs/dbraw/zinc/03/49/02/1283034902.db2.gz GLEYNFDUOUDSDH-MSOLQXFVSA-N 1 3 344.503 2.843 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)C1 ZINC001092906928 1283112322 /nfs/dbraw/zinc/11/23/22/1283112322.db2.gz MIMICGXMJOJBRF-QNONSRJCSA-N 1 3 341.927 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CN(C/C=C/Cl)C[C@H]2C)C1 ZINC001092906928 1283112325 /nfs/dbraw/zinc/11/23/25/1283112325.db2.gz MIMICGXMJOJBRF-QNONSRJCSA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001093025112 1283165257 /nfs/dbraw/zinc/16/52/57/1283165257.db2.gz QURMYHYXWYAGOY-INDDXITRSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001093025112 1283165263 /nfs/dbraw/zinc/16/52/63/1283165263.db2.gz QURMYHYXWYAGOY-INDDXITRSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001093025112 1283165272 /nfs/dbraw/zinc/16/52/72/1283165272.db2.gz QURMYHYXWYAGOY-INDDXITRSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(C/C=C\Cl)C[C@H]1C ZINC001093025112 1283165279 /nfs/dbraw/zinc/16/52/79/1283165279.db2.gz QURMYHYXWYAGOY-INDDXITRSA-N 1 3 341.927 2.686 20 0 EFADHO Cc1cc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]2C)c(C)s1 ZINC001132266787 1283222100 /nfs/dbraw/zinc/22/21/00/1283222100.db2.gz ZXHGQUBPJXXXTG-GUYCJALGSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717406 1283222510 /nfs/dbraw/zinc/22/25/10/1283222510.db2.gz VGDWSPRAHZDEIZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717406 1283222515 /nfs/dbraw/zinc/22/25/15/1283222515.db2.gz VGDWSPRAHZDEIZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717403 1283223098 /nfs/dbraw/zinc/22/30/98/1283223098.db2.gz VGDWSPRAHZDEIZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717403 1283223107 /nfs/dbraw/zinc/22/31/07/1283223107.db2.gz VGDWSPRAHZDEIZ-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2c(c1)CCC2 ZINC001132274034 1283242911 /nfs/dbraw/zinc/24/29/11/1283242911.db2.gz NNYDUEJCINPJMP-JXFKEZNVSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2c(c1)CCC2 ZINC001132274036 1283244118 /nfs/dbraw/zinc/24/41/18/1283244118.db2.gz NNYDUEJCINPJMP-OXQOHEQNSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c1 ZINC001132274558 1283244599 /nfs/dbraw/zinc/24/45/99/1283244599.db2.gz WODDNEBDYIILJO-APWZRJJASA-N 1 3 331.504 2.670 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735432 1283310376 /nfs/dbraw/zinc/31/03/76/1283310376.db2.gz JNXCLHRGMZRJOI-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CC(C)(C)C3)C2)CCC1 ZINC001036735432 1283310386 /nfs/dbraw/zinc/31/03/86/1283310386.db2.gz JNXCLHRGMZRJOI-QZTJIDSGSA-N 1 3 347.547 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735813 1283313333 /nfs/dbraw/zinc/31/33/33/1283313333.db2.gz QMUYTNXKCOVWFL-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735813 1283313346 /nfs/dbraw/zinc/31/33/46/1283313346.db2.gz QMUYTNXKCOVWFL-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736475 1283314626 /nfs/dbraw/zinc/31/46/26/1283314626.db2.gz AGCUIEBUELJMBV-AZUAARDMSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736475 1283314635 /nfs/dbraw/zinc/31/46/35/1283314635.db2.gz AGCUIEBUELJMBV-AZUAARDMSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736898 1283317805 /nfs/dbraw/zinc/31/78/05/1283317805.db2.gz IOXXWOKELLCAFZ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CCCC2)C1)C1CCC1 ZINC001036736898 1283317818 /nfs/dbraw/zinc/31/78/18/1283317818.db2.gz IOXXWOKELLCAFZ-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ncc(C)s1 ZINC001176022953 1287659653 /nfs/dbraw/zinc/65/96/53/1287659653.db2.gz DQIJUDCAOHQEAN-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1ncc(C)s1 ZINC001176022953 1287659660 /nfs/dbraw/zinc/65/96/60/1287659660.db2.gz DQIJUDCAOHQEAN-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C/Cl ZINC001176024854 1287661016 /nfs/dbraw/zinc/66/10/16/1287661016.db2.gz SPQCAZLXLZWACR-UROBUVALSA-N 1 3 338.323 2.912 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNC/C(Cl)=C/Cl ZINC001176024854 1287661020 /nfs/dbraw/zinc/66/10/20/1287661020.db2.gz SPQCAZLXLZWACR-UROBUVALSA-N 1 3 338.323 2.912 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093376969 1283825723 /nfs/dbraw/zinc/82/57/23/1283825723.db2.gz DZYQGBUNDXAVGQ-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001093376969 1283825732 /nfs/dbraw/zinc/82/57/32/1283825732.db2.gz DZYQGBUNDXAVGQ-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377254 1283828429 /nfs/dbraw/zinc/82/84/29/1283828429.db2.gz HRVGKIAOCKJPOK-YLJYHZDGSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377254 1283828438 /nfs/dbraw/zinc/82/84/38/1283828438.db2.gz HRVGKIAOCKJPOK-YLJYHZDGSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377252 1283829939 /nfs/dbraw/zinc/82/99/39/1283829939.db2.gz HRVGKIAOCKJPOK-XLIONFOSSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001093377252 1283829945 /nfs/dbraw/zinc/82/99/45/1283829945.db2.gz HRVGKIAOCKJPOK-XLIONFOSSA-N 1 3 347.547 2.830 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378778 1283834070 /nfs/dbraw/zinc/83/40/70/1283834070.db2.gz SXGKGNZXALOBNI-QFBILLFUSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378778 1283834083 /nfs/dbraw/zinc/83/40/83/1283834083.db2.gz SXGKGNZXALOBNI-QFBILLFUSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093379608 1283839652 /nfs/dbraw/zinc/83/96/52/1283839652.db2.gz DKTIRKQSSINVJV-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093379608 1283839658 /nfs/dbraw/zinc/83/96/58/1283839658.db2.gz DKTIRKQSSINVJV-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccccn1)[C@@H]1CCC[N@H+](CC)CC1 ZINC001132555035 1283930906 /nfs/dbraw/zinc/93/09/06/1283930906.db2.gz PDVFMSOCNAONOY-LJQANCHMSA-N 1 3 346.519 2.626 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccccn1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC001132555035 1283930910 /nfs/dbraw/zinc/93/09/10/1283930910.db2.gz PDVFMSOCNAONOY-LJQANCHMSA-N 1 3 346.519 2.626 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccccn1)[C@@H]1CCC[N@H+](CC)CC1 ZINC001132555176 1283931042 /nfs/dbraw/zinc/93/10/42/1283931042.db2.gz QXZDZNLEXZOCCL-LJQANCHMSA-N 1 3 346.519 2.626 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccccn1)[C@@H]1CCC[N@@H+](CC)CC1 ZINC001132555176 1283931050 /nfs/dbraw/zinc/93/10/50/1283931050.db2.gz QXZDZNLEXZOCCL-LJQANCHMSA-N 1 3 346.519 2.626 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715046469 1284012669 /nfs/dbraw/zinc/01/26/69/1284012669.db2.gz IFAGOPXKLLYPKE-XUVXKRRUSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715046469 1284012678 /nfs/dbraw/zinc/01/26/78/1284012678.db2.gz IFAGOPXKLLYPKE-XUVXKRRUSA-N 1 3 341.499 2.627 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)C1 ZINC001036820661 1284059408 /nfs/dbraw/zinc/05/94/08/1284059408.db2.gz MRGWDLDUVJPECU-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)C1 ZINC001036820661 1284059420 /nfs/dbraw/zinc/05/94/20/1284059420.db2.gz MRGWDLDUVJPECU-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000715541041 1284232878 /nfs/dbraw/zinc/23/28/78/1284232878.db2.gz DZZXYMARIGBZST-XHSDSOJGSA-N 1 3 341.293 2.945 20 0 EFADHO CN(C)CC[NH+]1CCC(NCc2ccnc(Cl)c2Cl)CC1 ZINC000811473780 1284361819 /nfs/dbraw/zinc/36/18/19/1284361819.db2.gz LTMKCFGZOYIDRU-UHFFFAOYSA-N 1 3 331.291 2.504 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001093821203 1284542064 /nfs/dbraw/zinc/54/20/64/1284542064.db2.gz WBVKJJRNASSNCV-JWHDQAAXSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822089 1284542497 /nfs/dbraw/zinc/54/24/97/1284542497.db2.gz KNAJTSJRXHFKNS-AHRSYUTCSA-N 1 3 343.515 2.519 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1)N(C)C ZINC001093839199 1284556254 /nfs/dbraw/zinc/55/62/54/1284556254.db2.gz CETWVALARGESJX-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1)N(C)C ZINC001093859516 1284575386 /nfs/dbraw/zinc/57/53/86/1284575386.db2.gz UHIKQQMABPIOOE-BHIYHBOVSA-N 1 3 349.563 2.981 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC1 ZINC001132994960 1284616130 /nfs/dbraw/zinc/61/61/30/1284616130.db2.gz HRUCHLVKGUOHPL-UHFFFAOYSA-N 1 3 344.286 2.541 20 0 EFADHO C[C@@H](NCCNC(=O)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001133051729 1284693888 /nfs/dbraw/zinc/69/38/88/1284693888.db2.gz MSTXKFAFYYJVCG-GFCCVEGCSA-N 1 3 329.847 2.588 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001094041169 1284728241 /nfs/dbraw/zinc/72/82/41/1284728241.db2.gz YKENMUVFNMWSFY-JFIYKMOQSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001094041666 1284728655 /nfs/dbraw/zinc/72/86/55/1284728655.db2.gz DSAQRXCVRUOMMO-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001094041170 1284728678 /nfs/dbraw/zinc/72/86/78/1284728678.db2.gz YKENMUVFNMWSFY-SOLBZPMBSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001094040984 1284729209 /nfs/dbraw/zinc/72/92/09/1284729209.db2.gz RVKAPWZZXGWYSK-QWFCFKBJSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCCC3)[C@H](C)C2)C1 ZINC001094042187 1284730667 /nfs/dbraw/zinc/73/06/67/1284730667.db2.gz NAPXHBHHFBCYBV-YQVWRLOYSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CCC1CC1 ZINC001133120973 1284829365 /nfs/dbraw/zinc/82/93/65/1284829365.db2.gz CSKMEYUEUUUPOB-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C ZINC001133120934 1284830685 /nfs/dbraw/zinc/83/06/85/1284830685.db2.gz CLDHSZKXKSYEOD-ZWKOTPCHSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001133121221 1284831680 /nfs/dbraw/zinc/83/16/80/1284831680.db2.gz FGDIUPAVZXHNCQ-WMZOPIPTSA-N 1 3 337.552 2.839 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001094242839 1284871951 /nfs/dbraw/zinc/87/19/51/1284871951.db2.gz PHCRCOCRNIENHY-KBAYOESNSA-N 1 3 349.544 2.807 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133178536 1284936458 /nfs/dbraw/zinc/93/64/58/1284936458.db2.gz SQWKFQKHTMCPEP-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133178119 1284936552 /nfs/dbraw/zinc/93/65/52/1284936552.db2.gz KYDHHGWZDSSDCW-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133178285 1284936756 /nfs/dbraw/zinc/93/67/56/1284936756.db2.gz NVQPRZVKYFZIFL-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@@H]1C ZINC001133178199 1284937503 /nfs/dbraw/zinc/93/75/03/1284937503.db2.gz MKAAHBPPICADBS-FUHWJXTLSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133181394 1284942790 /nfs/dbraw/zinc/94/27/90/1284942790.db2.gz AKRLWEZNYKIPLK-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133190271 1284965570 /nfs/dbraw/zinc/96/55/70/1284965570.db2.gz GARHIJBCXGAMHM-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001133195773 1284974395 /nfs/dbraw/zinc/97/43/95/1284974395.db2.gz STPYEPPAUMMSJL-CKYZQKIHSA-N 1 3 341.927 2.545 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133253598 1285092476 /nfs/dbraw/zinc/09/24/76/1285092476.db2.gz KEZQBKPCXVBKRU-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001133274156 1285112748 /nfs/dbraw/zinc/11/27/48/1285112748.db2.gz CCABAYXELWAEKQ-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133274616 1285115335 /nfs/dbraw/zinc/11/53/35/1285115335.db2.gz LHEPKJVTKOKZNX-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133274498 1285115966 /nfs/dbraw/zinc/11/59/66/1285115966.db2.gz JBBYGPWJZZPUOC-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO C[NH+](C)CCC(=O)NCCNCc1sc2ccccc2c1Cl ZINC001133294706 1285139043 /nfs/dbraw/zinc/13/90/43/1285139043.db2.gz QBDSTHRPBCJJQW-UHFFFAOYSA-N 1 3 339.892 2.712 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133346728 1285207544 /nfs/dbraw/zinc/20/75/44/1285207544.db2.gz OLXINILLUHSXSJ-MJGOQNOKSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C[NH2+]CCCF ZINC001133337366 1285215133 /nfs/dbraw/zinc/21/51/33/1285215133.db2.gz MTNBSLURQXRFRU-APWZRJJASA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133347113 1285234792 /nfs/dbraw/zinc/23/47/92/1285234792.db2.gz SVRYSCAXWLTPIY-AEFFLSMTSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133347219 1285235147 /nfs/dbraw/zinc/23/51/47/1285235147.db2.gz UWYVEZSCFYUEAN-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133347761 1285236311 /nfs/dbraw/zinc/23/63/11/1285236311.db2.gz ZIDHWKOUPKNAFM-AEFFLSMTSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133347428 1285236784 /nfs/dbraw/zinc/23/67/84/1285236784.db2.gz XHKGYIGRGBDXKD-WBVHZDCISA-N 1 3 337.533 2.663 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001094582120 1285352584 /nfs/dbraw/zinc/35/25/84/1285352584.db2.gz KQKVETLIJJHAFB-UYAOXDASSA-N 1 3 347.478 2.692 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C(C)C)N(C)C ZINC001133408276 1285368227 /nfs/dbraw/zinc/36/82/27/1285368227.db2.gz ZVCHSJQUONUNCW-QGZVFWFLSA-N 1 3 339.911 2.864 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902267 1285379933 /nfs/dbraw/zinc/37/99/33/1285379933.db2.gz IEHMJVDZZHCMEI-HKUYNNGSSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902267 1285379935 /nfs/dbraw/zinc/37/99/35/1285379935.db2.gz IEHMJVDZZHCMEI-HKUYNNGSSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CC2)C1 ZINC001036901960 1285380456 /nfs/dbraw/zinc/38/04/56/1285380456.db2.gz BLDUJSJWPAFCQK-ICSRJNTNSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CC2)C1 ZINC001036901960 1285380468 /nfs/dbraw/zinc/38/04/68/1285380468.db2.gz BLDUJSJWPAFCQK-ICSRJNTNSA-N 1 3 341.499 2.695 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902326 1285381615 /nfs/dbraw/zinc/38/16/15/1285381615.db2.gz JASRLQFHBPQXGA-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902326 1285381625 /nfs/dbraw/zinc/38/16/25/1285381625.db2.gz JASRLQFHBPQXGA-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902268 1285382479 /nfs/dbraw/zinc/38/24/79/1285382479.db2.gz IEHMJVDZZHCMEI-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902268 1285382487 /nfs/dbraw/zinc/38/24/87/1285382487.db2.gz IEHMJVDZZHCMEI-IEBWSBKVSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902959 1285384153 /nfs/dbraw/zinc/38/41/53/1285384153.db2.gz SRIPQKNICDIRHY-PMACEKPBSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902959 1285384164 /nfs/dbraw/zinc/38/41/64/1285384164.db2.gz SRIPQKNICDIRHY-PMACEKPBSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001133433951 1285425021 /nfs/dbraw/zinc/42/50/21/1285425021.db2.gz FCIAJYGADWDUMY-LJQANCHMSA-N 1 3 333.520 2.677 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161852 1285506825 /nfs/dbraw/zinc/50/68/25/1285506825.db2.gz VTKOUFZXOQYXFB-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCCC1)C2 ZINC001110161852 1285506831 /nfs/dbraw/zinc/50/68/31/1285506831.db2.gz VTKOUFZXOQYXFB-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001171500234 1285569451 /nfs/dbraw/zinc/56/94/51/1285569451.db2.gz JDCQWOKUJWHUKB-UKRRQHHQSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1scnc1C)N(C)C ZINC001171501287 1285610945 /nfs/dbraw/zinc/61/09/45/1285610945.db2.gz RRHMSJJLTDXBIM-UKRRQHHQSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(F)c1)N(C)C ZINC001171508536 1285615516 /nfs/dbraw/zinc/61/55/16/1285615516.db2.gz FJDWOOAGRPBKQK-MAUKXSAKSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1)N(C)C ZINC001171509544 1285618147 /nfs/dbraw/zinc/61/81/47/1285618147.db2.gz RICWTCUDPWVIID-IEBWSBKVSA-N 1 3 333.520 2.834 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCOCCC(C)C)N(C)C ZINC001171510146 1285620289 /nfs/dbraw/zinc/62/02/89/1285620289.db2.gz YTAGZBIWHFYSET-QZTJIDSGSA-N 1 3 343.556 2.654 20 0 EFADHO C[C@@H](NCCCNC(=O)CCCC[NH+](C)C)c1cc(F)ccc1F ZINC001171584981 1285634221 /nfs/dbraw/zinc/63/42/21/1285634221.db2.gz FITHMMCUZXXHGU-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO C[C@@H](NCCCNC(=O)CCCC[NH+](C)C)c1c(F)cccc1F ZINC001171585039 1285634564 /nfs/dbraw/zinc/63/45/64/1285634564.db2.gz IFVHGFFGBSEQDR-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1cncs1 ZINC001171585736 1285635932 /nfs/dbraw/zinc/63/59/32/1285635932.db2.gz BUDVEJGZRHOMNT-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CC[C@H]1CCCO1 ZINC001171586282 1285636855 /nfs/dbraw/zinc/63/68/55/1285636855.db2.gz KYJWEGGODGVRDA-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1cscn1 ZINC001171595777 1285667638 /nfs/dbraw/zinc/66/76/38/1285667638.db2.gz GJVZGJZQMZLDCI-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)CCCCNCc1cscn1 ZINC001171595777 1285667647 /nfs/dbraw/zinc/66/76/47/1285667647.db2.gz GJVZGJZQMZLDCI-AWEZNQCLSA-N 1 3 340.537 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCCCOC ZINC001171596741 1285668407 /nfs/dbraw/zinc/66/84/07/1285668407.db2.gz QMPVXHHXEWXGQU-KRWDZBQOSA-N 1 3 343.556 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CCCOC(C)C ZINC001171597257 1285668924 /nfs/dbraw/zinc/66/89/24/1285668924.db2.gz WWQCPCUPZFYEMQ-QGZVFWFLSA-N 1 3 343.556 2.796 20 0 EFADHO CN1C(C)(C)CC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1(C)C ZINC001171635952 1285716025 /nfs/dbraw/zinc/71/60/25/1285716025.db2.gz AFAFRHKJLLJVKE-UHFFFAOYSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1cnc(O[C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171640269 1285719045 /nfs/dbraw/zinc/71/90/45/1285719045.db2.gz AADVKCRBPSZLFN-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO Cc1cnc(O[C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171640269 1285719047 /nfs/dbraw/zinc/71/90/47/1285719047.db2.gz AADVKCRBPSZLFN-MRXNPFEDSA-N 1 3 332.492 2.890 20 0 EFADHO COc1cnc(O[C@@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171641312 1285720004 /nfs/dbraw/zinc/72/00/04/1285720004.db2.gz OHAXEOVVSADLAU-OAHLLOKOSA-N 1 3 348.491 2.590 20 0 EFADHO COc1cnc(O[C@@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171641312 1285720010 /nfs/dbraw/zinc/72/00/10/1285720010.db2.gz OHAXEOVVSADLAU-OAHLLOKOSA-N 1 3 348.491 2.590 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001171725515 1285743000 /nfs/dbraw/zinc/74/30/00/1285743000.db2.gz NNMMDSCDYYZFRJ-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001171725515 1285743010 /nfs/dbraw/zinc/74/30/10/1285743010.db2.gz NNMMDSCDYYZFRJ-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001171762836 1285769433 /nfs/dbraw/zinc/76/94/33/1285769433.db2.gz MZTKGEHKNHTLLA-UHFFFAOYSA-N 1 3 327.472 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1F ZINC001171763043 1285769832 /nfs/dbraw/zinc/76/98/32/1285769832.db2.gz RYWAEPVHHGIABR-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1nc2cc(C)ccc2s1 ZINC001171763198 1285770781 /nfs/dbraw/zinc/77/07/81/1285770781.db2.gz VHJAZUUJTLKDFD-UHFFFAOYSA-N 1 3 348.516 2.542 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC001171770709 1285776365 /nfs/dbraw/zinc/77/63/65/1285776365.db2.gz ZALFNCNKMMZCRQ-QGZVFWFLSA-N 1 3 341.446 2.854 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001171770550 1285776999 /nfs/dbraw/zinc/77/69/99/1285776999.db2.gz SAEOBJABGZSPJA-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CCCOc1ccc(C)c(C)c1 ZINC001171770552 1285777227 /nfs/dbraw/zinc/77/72/27/1285777227.db2.gz SASZCBDYHARVJL-UHFFFAOYSA-N 1 3 349.519 2.510 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1)N(C)C ZINC001165718940 1312669817 /nfs/dbraw/zinc/66/98/17/1312669817.db2.gz UIGNRZKIDNJINC-GFCCVEGCSA-N 1 3 336.307 2.522 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1CCCN(C(=O)c3ccccc3)CC1)CC2 ZINC001171904328 1285893067 /nfs/dbraw/zinc/89/30/67/1285893067.db2.gz VAHVUCBHFNWVCV-IBGZPJMESA-N 1 3 341.499 2.709 20 0 EFADHO O=C1C[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CCN1C1CC1 ZINC001172007897 1285950724 /nfs/dbraw/zinc/95/07/24/1285950724.db2.gz MCVIMSQASUVBCL-AEFFLSMTSA-N 1 3 331.504 2.550 20 0 EFADHO O=C1C[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CCN1C1CC1 ZINC001172007943 1285951075 /nfs/dbraw/zinc/95/10/75/1285951075.db2.gz MCVIMSQASUVBCL-WMZOPIPTSA-N 1 3 331.504 2.550 20 0 EFADHO Cn1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1=O ZINC001171972097 1285955518 /nfs/dbraw/zinc/95/55/18/1285955518.db2.gz OBDLXDUSURGGPU-LJQANCHMSA-N 1 3 339.483 2.918 20 0 EFADHO Cn1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1=O ZINC001171972097 1285955525 /nfs/dbraw/zinc/95/55/25/1285955525.db2.gz OBDLXDUSURGGPU-LJQANCHMSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974716 1285958446 /nfs/dbraw/zinc/95/84/46/1285958446.db2.gz IUJIZOXKFPNLSL-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1COCCN1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974716 1285958454 /nfs/dbraw/zinc/95/84/54/1285958454.db2.gz IUJIZOXKFPNLSL-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO Cc1nc(=N)n([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1CN ZINC001171980203 1285961952 /nfs/dbraw/zinc/96/19/52/1285961952.db2.gz SWMHJZUHYVXWEE-GOSISDBHSA-N 1 3 339.487 2.745 20 0 EFADHO Cc1nc(=N)n([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1CN ZINC001171980203 1285961962 /nfs/dbraw/zinc/96/19/62/1285961962.db2.gz SWMHJZUHYVXWEE-GOSISDBHSA-N 1 3 339.487 2.745 20 0 EFADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984124 1285963763 /nfs/dbraw/zinc/96/37/63/1285963763.db2.gz IDCXAOZVMLUMAE-ROUUACIJSA-N 1 3 329.488 2.769 20 0 EFADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984124 1285963770 /nfs/dbraw/zinc/96/37/70/1285963770.db2.gz IDCXAOZVMLUMAE-ROUUACIJSA-N 1 3 329.488 2.769 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133819766 1285974154 /nfs/dbraw/zinc/97/41/54/1285974154.db2.gz NUMOBJGGJIPXDG-KRWDZBQOSA-N 1 3 339.483 2.838 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172020674 1285974497 /nfs/dbraw/zinc/97/44/97/1285974497.db2.gz CBDUGBIAHNLGOD-IBGZPJMESA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172020674 1285974504 /nfs/dbraw/zinc/97/45/04/1285974504.db2.gz CBDUGBIAHNLGOD-IBGZPJMESA-N 1 3 333.520 2.869 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001133819549 1285974678 /nfs/dbraw/zinc/97/46/78/1285974678.db2.gz GLBBFWINQCZHSJ-INIZCTEOSA-N 1 3 329.488 2.644 20 0 EFADHO CCN1CC[C@@H](N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1=O ZINC001172031868 1285980105 /nfs/dbraw/zinc/98/01/05/1285980105.db2.gz RRURXAXROPCRCW-QGZVFWFLSA-N 1 3 349.906 2.687 20 0 EFADHO CC(=O)N1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072791 1285992669 /nfs/dbraw/zinc/99/26/69/1285992669.db2.gz NBPHSFQLJQDWQQ-BURNTYAHSA-N 1 3 341.499 2.783 20 0 EFADHO CC(=O)N1CC[C@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072791 1285992676 /nfs/dbraw/zinc/99/26/76/1285992676.db2.gz NBPHSFQLJQDWQQ-BURNTYAHSA-N 1 3 341.499 2.783 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001172080583 1285998782 /nfs/dbraw/zinc/99/87/82/1285998782.db2.gz VULYNXHVNPXTSG-WTGUMLROSA-N 1 3 341.499 2.830 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001172080583 1285998789 /nfs/dbraw/zinc/99/87/89/1285998789.db2.gz VULYNXHVNPXTSG-WTGUMLROSA-N 1 3 341.499 2.830 20 0 EFADHO C[C@H](CN)C[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087241 1286001933 /nfs/dbraw/zinc/00/19/33/1286001933.db2.gz GPBPISIJCQNJPH-LVQVYYBASA-N 1 3 325.497 2.834 20 0 EFADHO C[C@H](CN)C[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087241 1286001943 /nfs/dbraw/zinc/00/19/43/1286001943.db2.gz GPBPISIJCQNJPH-LVQVYYBASA-N 1 3 325.497 2.834 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCN4CC[C@@H]4C2)C3)cc1 ZINC001172087769 1286002873 /nfs/dbraw/zinc/00/28/73/1286002873.db2.gz LQRASLIWKMMBOC-PLACYPQZSA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@H](N2CCN4CC[C@@H]4C2)C3)cc1 ZINC001172087769 1286002878 /nfs/dbraw/zinc/00/28/78/1286002878.db2.gz LQRASLIWKMMBOC-PLACYPQZSA-N 1 3 325.500 2.962 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001133834164 1286003633 /nfs/dbraw/zinc/00/36/33/1286003633.db2.gz PTFNSJYAUUHMDV-STQMWFEESA-N 1 3 341.858 2.730 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC1(F)CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100797 1286006314 /nfs/dbraw/zinc/00/63/14/1286006314.db2.gz UDCZDRJZKRSYAH-QDMKHBRRSA-N 1 3 341.471 2.550 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001133823961 1286009134 /nfs/dbraw/zinc/00/91/34/1286009134.db2.gz UHFCIYFFHLIEBM-QGZVFWFLSA-N 1 3 331.504 2.575 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(CCNC(=O)OC(C)(C)C)C1)C2 ZINC001172126943 1286011495 /nfs/dbraw/zinc/01/14/95/1286011495.db2.gz ZNNYLALNOBODLU-BJWYYQGGSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC(CCNC(=O)OC(C)(C)C)C1)C2 ZINC001172126943 1286011500 /nfs/dbraw/zinc/01/15/00/1286011500.db2.gz ZNNYLALNOBODLU-BJWYYQGGSA-N 1 3 337.508 2.848 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]C/C=C/c2ccccc2)C1 ZINC001133850992 1286012897 /nfs/dbraw/zinc/01/28/97/1286012897.db2.gz UHBJFYACAPGHDD-OSICKASQSA-N 1 3 347.478 2.618 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1cccc2ccccc21 ZINC001133850435 1286013010 /nfs/dbraw/zinc/01/30/10/1286013010.db2.gz MVFHDKHJWCMNML-DLBZAZTESA-N 1 3 339.483 2.948 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc2ccccc2c1 ZINC001133850642 1286013063 /nfs/dbraw/zinc/01/30/63/1286013063.db2.gz OTCQRSKNQJZVQG-IRXDYDNUSA-N 1 3 339.483 2.948 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001133851063 1286013174 /nfs/dbraw/zinc/01/31/74/1286013174.db2.gz WBIDIVOAASXMOJ-WWDZGPRUSA-N 1 3 337.552 2.887 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001172131913 1286015390 /nfs/dbraw/zinc/01/53/90/1286015390.db2.gz ZJIIWBKTJUIBIP-ZSBIGDGJSA-N 1 3 328.382 2.735 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1nc(C(F)(F)F)c3c1CNCC3)C2 ZINC001172131913 1286015393 /nfs/dbraw/zinc/01/53/93/1286015393.db2.gz ZJIIWBKTJUIBIP-ZSBIGDGJSA-N 1 3 328.382 2.735 20 0 EFADHO COc1ccnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132470 1286015445 /nfs/dbraw/zinc/01/54/45/1286015445.db2.gz LNIRMNVMVPMVTC-KYHPRHEASA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@@H]2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132470 1286015449 /nfs/dbraw/zinc/01/54/49/1286015449.db2.gz LNIRMNVMVPMVTC-KYHPRHEASA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172132497 1286015547 /nfs/dbraw/zinc/01/55/47/1286015547.db2.gz LWVSAPPDZZCURZ-MHORFTMASA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172132497 1286015551 /nfs/dbraw/zinc/01/55/51/1286015551.db2.gz LWVSAPPDZZCURZ-MHORFTMASA-N 1 3 345.487 2.949 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102688 1286020071 /nfs/dbraw/zinc/02/00/71/1286020071.db2.gz OCQSIMBEJVYGBQ-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102688 1286020078 /nfs/dbraw/zinc/02/00/78/1286020078.db2.gz OCQSIMBEJVYGBQ-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102688 1286020083 /nfs/dbraw/zinc/02/00/83/1286020083.db2.gz OCQSIMBEJVYGBQ-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC001172111233 1286023216 /nfs/dbraw/zinc/02/32/16/1286023216.db2.gz QVBMSLGNYAANCY-OSYLJGHBSA-N 1 3 336.501 2.585 20 0 EFADHO COC(=O)C[C@@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001172110003 1286024310 /nfs/dbraw/zinc/02/43/10/1286024310.db2.gz IEKLGSVSMCIEEV-SFNKJDCFSA-N 1 3 346.471 2.904 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC001133845875 1286025117 /nfs/dbraw/zinc/02/51/17/1286025117.db2.gz PDQODDMUEQYMQE-YOEHRIQHSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1C[NH2+]C[C@H]1CN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000903432555 1312669937 /nfs/dbraw/zinc/66/99/37/1312669937.db2.gz DYLVBSQOBWOMMO-ZBFHGGJFSA-N 1 3 330.451 2.936 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(CCOc3ccccc3)CC1)C2 ZINC001172120110 1286028465 /nfs/dbraw/zinc/02/84/65/1286028465.db2.gz CKXIBVWYROSJPF-PMOLBWCYSA-N 1 3 343.515 2.698 20 0 EFADHO COc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172121953 1286029728 /nfs/dbraw/zinc/02/97/28/1286029728.db2.gz NXWDKZSLURVDCT-PMOLBWCYSA-N 1 3 343.515 2.828 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001172121038 1286030356 /nfs/dbraw/zinc/03/03/56/1286030356.db2.gz BLOBSPNAMUBULX-ACDBMABISA-N 1 3 325.500 2.820 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC3(CN(Cc4ccccc4)C3)C1)C2 ZINC001172121038 1286030357 /nfs/dbraw/zinc/03/03/57/1286030357.db2.gz BLOBSPNAMUBULX-ACDBMABISA-N 1 3 325.500 2.820 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)C2 ZINC001172120493 1286030365 /nfs/dbraw/zinc/03/03/65/1286030365.db2.gz KZZSDILLMQXOGC-ZBRFXRBCSA-N 1 3 349.519 2.943 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)C2 ZINC001172120493 1286030366 /nfs/dbraw/zinc/03/03/66/1286030366.db2.gz KZZSDILLMQXOGC-ZBRFXRBCSA-N 1 3 349.519 2.943 20 0 EFADHO CCc1ccc(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001133856481 1286030575 /nfs/dbraw/zinc/03/05/75/1286030575.db2.gz GRYFBWPQHQXEFZ-HXUWFJFHSA-N 1 3 349.494 2.667 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133849683 1286030742 /nfs/dbraw/zinc/03/07/42/1286030742.db2.gz BVEFIJFCNYIGQL-JXFKEZNVSA-N 1 3 349.494 2.974 20 0 EFADHO CC1CCC(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001133856223 1286031067 /nfs/dbraw/zinc/03/10/67/1286031067.db2.gz AWUZDJBGTHRKCD-LADRWXRNSA-N 1 3 341.515 2.731 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133849742 1286031533 /nfs/dbraw/zinc/03/15/33/1286031533.db2.gz CVXHUAMBWAOKNE-FQEVSTJZSA-N 1 3 349.494 2.722 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)cc1C ZINC001133856897 1286032606 /nfs/dbraw/zinc/03/26/06/1286032606.db2.gz VJVPCBJZYKBFNX-HXUWFJFHSA-N 1 3 349.494 2.722 20 0 EFADHO c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CS2 ZINC001172198312 1286067189 /nfs/dbraw/zinc/06/71/89/1286067189.db2.gz PFUDWFJGHCDZNF-BZSNNMDCSA-N 1 3 332.513 2.936 20 0 EFADHO COCCC[NH+]1CCC(N[C@@H](C)[C@H](O)c2ccc(Cl)cc2)CC1 ZINC001172247609 1286079887 /nfs/dbraw/zinc/07/98/87/1286079887.db2.gz NLGWYXFHRKTKLE-KSSFIOAISA-N 1 3 340.895 2.852 20 0 EFADHO COCCC[NH+]1CCC(N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001172247605 1286080204 /nfs/dbraw/zinc/08/02/04/1286080204.db2.gz NLGWYXFHRKTKLE-KBXCAEBGSA-N 1 3 340.895 2.852 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@H]1CCCc2ccc(F)cc21)CC(C)(C)C ZINC001133906450 1286089685 /nfs/dbraw/zinc/08/96/85/1286089685.db2.gz WIWXUHUUOLWCJH-SFHVURJKSA-N 1 3 349.494 2.887 20 0 EFADHO CC[C@H](C)OCC[C@@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001172352518 1286122896 /nfs/dbraw/zinc/12/28/96/1286122896.db2.gz ICNLHEXSRLZMJE-MOPGFXCFSA-N 1 3 327.557 2.930 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524498 1286165041 /nfs/dbraw/zinc/16/50/41/1286165041.db2.gz YGKMBYJNDLDTTC-FRYIKTPZSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524498 1286165045 /nfs/dbraw/zinc/16/50/45/1286165045.db2.gz YGKMBYJNDLDTTC-FRYIKTPZSA-N 1 3 343.515 2.844 20 0 EFADHO CN(C)CCN1CC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCC1=O ZINC001172551936 1286176868 /nfs/dbraw/zinc/17/68/68/1286176868.db2.gz JJCOCSNIKCWXCP-WOJBJXKFSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CC[N@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)CCC1=O ZINC001172551936 1286176872 /nfs/dbraw/zinc/17/68/72/1286176872.db2.gz JJCOCSNIKCWXCP-WOJBJXKFSA-N 1 3 343.515 2.809 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001172601251 1286197063 /nfs/dbraw/zinc/19/70/63/1286197063.db2.gz FAOSBLQCCSMLSA-MOPGFXCFSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001172607289 1286201029 /nfs/dbraw/zinc/20/10/29/1286201029.db2.gz XOUYBITYVTZTFT-ZWKOTPCHSA-N 1 3 345.487 2.615 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665207 1286237570 /nfs/dbraw/zinc/23/75/70/1286237570.db2.gz WKMADZGDRPBYKT-GUDVDZBRSA-N 1 3 329.488 2.640 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665207 1286237574 /nfs/dbraw/zinc/23/75/74/1286237574.db2.gz WKMADZGDRPBYKT-GUDVDZBRSA-N 1 3 329.488 2.640 20 0 EFADHO [NH3+]C1(CC2CC2)CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172665880 1286237669 /nfs/dbraw/zinc/23/76/69/1286237669.db2.gz CAEBNWHSYHMTAW-LJQANCHMSA-N 1 3 341.499 2.771 20 0 EFADHO CN(C)C1CC[NH+](C2C[C@@H]3C=C[C@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001172810564 1286287365 /nfs/dbraw/zinc/28/73/65/1286287365.db2.gz JAVUPHOVYSARBC-SJPCQFCGSA-N 1 3 335.492 2.719 20 0 EFADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061880 1286396753 /nfs/dbraw/zinc/39/67/53/1286396753.db2.gz MHFBJKFFJIUYQB-YVSFHVDLSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001173061880 1286396761 /nfs/dbraw/zinc/39/67/61/1286396761.db2.gz MHFBJKFFJIUYQB-YVSFHVDLSA-N 1 3 337.508 2.658 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3cccc(OC)n3)CC2)CC1 ZINC001173113610 1286415350 /nfs/dbraw/zinc/41/53/50/1286415350.db2.gz XBDVVJUOFDOLSS-UHFFFAOYSA-N 1 3 346.519 2.865 20 0 EFADHO CCSC[C@@H](C)[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001173303765 1286513386 /nfs/dbraw/zinc/51/33/86/1286513386.db2.gz KNYWQDFWKOOYRN-MRXNPFEDSA-N 1 3 336.549 2.992 20 0 EFADHO CN(C)C1CC[NH+](C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173417773 1286563470 /nfs/dbraw/zinc/56/34/70/1286563470.db2.gz FSJYJMFXMHLIQX-UHFFFAOYSA-N 1 3 349.906 2.971 20 0 EFADHO COC(=O)CCCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001173444324 1286598846 /nfs/dbraw/zinc/59/88/46/1286598846.db2.gz HQALFJKJHXOOHX-MRXNPFEDSA-N 1 3 340.508 2.589 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001134369170 1286638413 /nfs/dbraw/zinc/63/84/13/1286638413.db2.gz HTOLPGDSRBQLLI-AYPKIECRSA-N 1 3 329.916 2.876 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccccn1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369844 1286640388 /nfs/dbraw/zinc/64/03/88/1286640388.db2.gz SRLUSGFXUZAPGF-IRXDYDNUSA-N 1 3 346.519 2.719 20 0 EFADHO CC(C)OCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369578 1286640448 /nfs/dbraw/zinc/64/04/48/1286640448.db2.gz OMKOHXHYYCZOET-DLBZAZTESA-N 1 3 341.540 2.549 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170750793 1286725674 /nfs/dbraw/zinc/72/56/74/1286725674.db2.gz NPXMLJZZJSULPZ-ZWKOTPCHSA-N 1 3 341.540 2.549 20 0 EFADHO COCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170751275 1286732051 /nfs/dbraw/zinc/73/20/51/1286732051.db2.gz PYCNLURCGGFMFN-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173666009 1286743987 /nfs/dbraw/zinc/74/39/87/1286743987.db2.gz VHRPFNBXSABBNW-IRXDYDNUSA-N 1 3 331.460 2.634 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173768874 1286783699 /nfs/dbraw/zinc/78/36/99/1286783699.db2.gz HHHWKTFKCXUMRB-MOPGFXCFSA-N 1 3 346.523 2.886 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173768874 1286783703 /nfs/dbraw/zinc/78/37/03/1286783703.db2.gz HHHWKTFKCXUMRB-MOPGFXCFSA-N 1 3 346.523 2.886 20 0 EFADHO c1ccc(C[C@@H](C[NH+]2CCCC2)Nc2ccc3c(n2)CNCC3)cc1 ZINC001170754033 1286839212 /nfs/dbraw/zinc/83/92/12/1286839212.db2.gz PWQHOJVDGRZDER-IBGZPJMESA-N 1 3 336.483 2.846 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001134583268 1286916465 /nfs/dbraw/zinc/91/64/65/1286916465.db2.gz HVRJLUCDXYEKSJ-CVEARBPZSA-N 1 3 335.536 2.924 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583584 1286916817 /nfs/dbraw/zinc/91/68/17/1286916817.db2.gz MLOUYFBZOMHLLD-HZPDHXFCSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134582889 1286917755 /nfs/dbraw/zinc/91/77/55/1286917755.db2.gz BELRGMOQFNUYLA-QZTJIDSGSA-N 1 3 345.531 2.976 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583703 1286917834 /nfs/dbraw/zinc/91/78/34/1286917834.db2.gz NLYVURHOGAHOLC-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cs1 ZINC001134583050 1286917924 /nfs/dbraw/zinc/91/79/24/1286917924.db2.gz DKJDBHQQNCISSJ-UONOGXRCSA-N 1 3 337.533 2.914 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001134585105 1286921042 /nfs/dbraw/zinc/92/10/42/1286921042.db2.gz ZULCOGWVLHDDAQ-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134608092 1286969435 /nfs/dbraw/zinc/96/94/35/1286969435.db2.gz QNJROQHKNXEBTG-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCCCCNC/C(Cl)=C\Cl ZINC001179399703 1289123049 /nfs/dbraw/zinc/12/30/49/1289123049.db2.gz FIUKJBWKFXLJOE-WYMLVPIESA-N 1 3 338.323 2.913 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170768925 1287109792 /nfs/dbraw/zinc/10/97/92/1287109792.db2.gz AHHYHQZAKSTXSS-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001174683886 1287112880 /nfs/dbraw/zinc/11/28/80/1287112880.db2.gz WEYHAHGZHAKOMR-UHFFFAOYSA-N 1 3 342.487 2.854 20 0 EFADHO C[C@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+]1CCCCCC1 ZINC001134749911 1287144626 /nfs/dbraw/zinc/14/46/26/1287144626.db2.gz GEMOKHLEMBVBSG-MRXNPFEDSA-N 1 3 343.471 2.903 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001134763359 1287160061 /nfs/dbraw/zinc/16/00/61/1287160061.db2.gz VRSDQVQXLWRYKC-HXUWFJFHSA-N 1 3 345.531 2.978 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001134765944 1287163668 /nfs/dbraw/zinc/16/36/68/1287163668.db2.gz AUQQUMBBJXWIMC-IBGZPJMESA-N 1 3 342.487 2.637 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134767474 1287163855 /nfs/dbraw/zinc/16/38/55/1287163855.db2.gz YLXGTBCDCKEIKA-APWZRJJASA-N 1 3 347.503 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001134766684 1287164343 /nfs/dbraw/zinc/16/43/43/1287164343.db2.gz LGCKASPJKMKMFL-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001134768704 1287166791 /nfs/dbraw/zinc/16/67/91/1287166791.db2.gz FOJPSVGOBUTAKU-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1ccccc1 ZINC001134773115 1287169868 /nfs/dbraw/zinc/16/98/68/1287169868.db2.gz LFOWBLFIZJHOBV-IRXDYDNUSA-N 1 3 349.519 2.669 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1ccccc1 ZINC001134773113 1287170040 /nfs/dbraw/zinc/17/00/40/1287170040.db2.gz LFOWBLFIZJHOBV-DLBZAZTESA-N 1 3 349.519 2.669 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001134772297 1287170170 /nfs/dbraw/zinc/17/01/70/1287170170.db2.gz BGAPAUMTLVXKEA-NEPJUHHUSA-N 1 3 325.419 2.542 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001114484300 1287197602 /nfs/dbraw/zinc/19/76/02/1287197602.db2.gz VTZTWSDRBBOCSB-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]21 ZINC001114484300 1287197606 /nfs/dbraw/zinc/19/76/06/1287197606.db2.gz VTZTWSDRBBOCSB-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176277338 1287919330 /nfs/dbraw/zinc/91/93/30/1287919330.db2.gz CKJXOYCZYXXSPM-INIZCTEOSA-N 1 3 337.483 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCC(C)C ZINC001176292556 1287925619 /nfs/dbraw/zinc/92/56/19/1287925619.db2.gz KYIZAEVDGYFBNQ-SFHVURJKSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176351023 1287960780 /nfs/dbraw/zinc/96/07/80/1287960780.db2.gz OSSUIAVHMOJIRC-MRXNPFEDSA-N 1 3 342.487 2.768 20 0 EFADHO C[C@H](NCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1F ZINC001135336967 1287962948 /nfs/dbraw/zinc/96/29/48/1287962948.db2.gz QXULNXMWSIEVJI-HNNXBMFYSA-N 1 3 343.446 2.968 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)CC[NH+](C)C)NCc1nsc2ccccc12 ZINC001135373215 1287979916 /nfs/dbraw/zinc/97/99/16/1287979916.db2.gz VNOJBLHCIOSTBB-ZIAGYGMSSA-N 1 3 348.516 2.621 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCOc1cccc(C)c1 ZINC001135440028 1288023704 /nfs/dbraw/zinc/02/37/04/1288023704.db2.gz BMXVXAGGCJDKGN-UHFFFAOYSA-N 1 3 349.519 2.592 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1csc(C)c1)C(C)C ZINC001135474528 1288024016 /nfs/dbraw/zinc/02/40/16/1288024016.db2.gz SHKSUXIURYKUGC-INIZCTEOSA-N 1 3 325.522 2.629 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCNCc1ccc(F)c(F)c1)C(C)C ZINC001135474413 1288024905 /nfs/dbraw/zinc/02/49/05/1288024905.db2.gz PKBSPSUZYUNBAC-QGZVFWFLSA-N 1 3 341.446 2.537 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1ccc(F)c(F)c1)C(C)C ZINC001135474412 1288024985 /nfs/dbraw/zinc/02/49/85/1288024985.db2.gz PKBSPSUZYUNBAC-KRWDZBQOSA-N 1 3 341.446 2.537 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]Cc1ccc(F)cc1 ZINC001135466826 1288031266 /nfs/dbraw/zinc/03/12/66/1288031266.db2.gz AMRAAODMFASSNI-CVEARBPZSA-N 1 3 349.494 2.931 20 0 EFADHO COCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481895 1288036606 /nfs/dbraw/zinc/03/66/06/1288036606.db2.gz YYCNVFAAZHGTHK-SJORKVTESA-N 1 3 343.556 2.654 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC001165727502 1312671223 /nfs/dbraw/zinc/67/12/23/1312671223.db2.gz BPHVJHQTNRLVID-GOSISDBHSA-N 1 3 349.494 2.850 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739197 1288090186 /nfs/dbraw/zinc/09/01/86/1288090186.db2.gz VFNBNTAEPULCBU-SJORKVTESA-N 1 3 349.519 2.661 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746903 1288094046 /nfs/dbraw/zinc/09/40/46/1288094046.db2.gz PATFBHUOEMEGEG-DLBZAZTESA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176752997 1288119186 /nfs/dbraw/zinc/11/91/86/1288119186.db2.gz BYUAGFZZFGVBAJ-SFHVURJKSA-N 1 3 333.520 2.834 20 0 EFADHO COc1ccc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001176754428 1288119976 /nfs/dbraw/zinc/11/99/76/1288119976.db2.gz VKISOFSYVCHPKJ-KRWDZBQOSA-N 1 3 349.519 2.800 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@H]1CCCCO1 ZINC001176754449 1288120335 /nfs/dbraw/zinc/12/03/35/1288120335.db2.gz VXJHNKXLAMTEQE-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001176754360 1288120567 /nfs/dbraw/zinc/12/05/67/1288120567.db2.gz TZHQQTIWYOGFCP-ZDUSSCGKSA-N 1 3 338.323 2.910 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]C/C=C\Cl ZINC001176758406 1288121561 /nfs/dbraw/zinc/12/15/61/1288121561.db2.gz BAMUJJUIYSYFSB-BMEWNCGWSA-N 1 3 329.916 2.878 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176760258 1288122319 /nfs/dbraw/zinc/12/23/19/1288122319.db2.gz SBMGVCBVSRIIII-IEBWSBKVSA-N 1 3 346.519 2.721 20 0 EFADHO CC(C)CCOCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176760488 1288124016 /nfs/dbraw/zinc/12/40/16/1288124016.db2.gz YMYKVBKYYVHBKH-SFHVURJKSA-N 1 3 343.556 2.654 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001176760514 1288124092 /nfs/dbraw/zinc/12/40/92/1288124092.db2.gz ZEJAMRSDGXTIOV-SFHVURJKSA-N 1 3 349.519 2.670 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000816493869 1288161820 /nfs/dbraw/zinc/16/18/20/1288161820.db2.gz QGGSDUVFRIASTF-UHFFFAOYSA-N 1 3 331.460 2.684 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000816493869 1288161829 /nfs/dbraw/zinc/16/18/29/1288161829.db2.gz QGGSDUVFRIASTF-UHFFFAOYSA-N 1 3 331.460 2.684 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC001176889830 1288163701 /nfs/dbraw/zinc/16/37/01/1288163701.db2.gz FXHDYHCBGLZXLN-IMFGXOCKSA-N 1 3 343.515 2.894 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]Cc2ccsc2)c1 ZINC001176890485 1288165072 /nfs/dbraw/zinc/16/50/72/1288165072.db2.gz VJCQLPXMGLGBHT-UHFFFAOYSA-N 1 3 331.485 2.719 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CCc2ccccc2)c1 ZINC001176890587 1288165091 /nfs/dbraw/zinc/16/50/91/1288165091.db2.gz XOJLBAOBYIHBGJ-UHFFFAOYSA-N 1 3 339.483 2.700 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccc(F)cc1F ZINC001179490553 1289161269 /nfs/dbraw/zinc/16/12/69/1289161269.db2.gz UEAMPDMIEYBZQZ-DCGLDWPTSA-N 1 3 339.430 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001176948435 1288190769 /nfs/dbraw/zinc/19/07/69/1288190769.db2.gz XDKFIPJRSLLQEU-UHFFFAOYSA-N 1 3 345.512 2.762 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)c1ccccc1CN(C)C ZINC001176948409 1288191282 /nfs/dbraw/zinc/19/12/82/1288191282.db2.gz VNXOREYNBRXOLT-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001176948317 1288191311 /nfs/dbraw/zinc/19/13/11/1288191311.db2.gz QYFQTSSGXUYKNQ-UHFFFAOYSA-N 1 3 339.430 2.503 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC001176972101 1288200849 /nfs/dbraw/zinc/20/08/49/1288200849.db2.gz ONRMEKAOACRCLR-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)c(Cl)c1 ZINC001176972026 1288201345 /nfs/dbraw/zinc/20/13/45/1288201345.db2.gz LCEBRGTZDSLJNR-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001176974987 1288203418 /nfs/dbraw/zinc/20/34/18/1288203418.db2.gz GBIZMSCWZLDIQW-GOSISDBHSA-N 1 3 331.504 2.543 20 0 EFADHO COc1cccc(/C=C/CC[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986125 1288206444 /nfs/dbraw/zinc/20/64/44/1288206444.db2.gz FQVKWGCMVJKXSP-WEVVVXLNSA-N 1 3 347.503 2.535 20 0 EFADHO CCc1cccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001176986725 1288208394 /nfs/dbraw/zinc/20/83/94/1288208394.db2.gz UBHCMWWTKVFNFY-LJQANCHMSA-N 1 3 331.504 2.719 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C)ccc1C ZINC001176986306 1288208421 /nfs/dbraw/zinc/20/84/21/1288208421.db2.gz KAJZUCTVCBEMHR-LJQANCHMSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001176992356 1288217617 /nfs/dbraw/zinc/21/76/17/1288217617.db2.gz NBYBLMLAIRMIOB-CRAIPNDOSA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001176992776 1288217884 /nfs/dbraw/zinc/21/78/84/1288217884.db2.gz ZSVRACRXHHRTHJ-CRAIPNDOSA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOCC ZINC001135691219 1288268815 /nfs/dbraw/zinc/26/88/15/1288268815.db2.gz QHWHPOIIRZPJAK-QZTJIDSGSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179534635 1289167777 /nfs/dbraw/zinc/16/77/77/1289167777.db2.gz RHRBWYPOUSYVJN-YFSJDKSFSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179534632 1289167797 /nfs/dbraw/zinc/16/77/97/1289167797.db2.gz RHRBWYPOUSYVJN-AZLYUIEQSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179534634 1289167825 /nfs/dbraw/zinc/16/78/25/1289167825.db2.gz RHRBWYPOUSYVJN-VLWTZZNMSA-N 1 3 341.499 2.763 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135706219 1288290836 /nfs/dbraw/zinc/29/08/36/1288290836.db2.gz QMRXKQWWDQBKHT-MSOLQXFVSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135706220 1288290929 /nfs/dbraw/zinc/29/09/29/1288290929.db2.gz QMRXKQWWDQBKHT-QZTJIDSGSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135706673 1288291260 /nfs/dbraw/zinc/29/12/60/1288291260.db2.gz ZEDSMCSTLDXHFG-IRXDYDNUSA-N 1 3 349.519 2.718 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(CC)CC)c1 ZINC001135743186 1288322719 /nfs/dbraw/zinc/32/27/19/1288322719.db2.gz GJFPIIJPLOZISC-SJORKVTESA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135743196 1288322809 /nfs/dbraw/zinc/32/28/09/1288322809.db2.gz GPSHFEXPULNNQA-QZTJIDSGSA-N 1 3 333.520 2.752 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135743521 1288324464 /nfs/dbraw/zinc/32/44/64/1288324464.db2.gz LRQBOXHPVRFRQE-HZPDHXFCSA-N 1 3 337.483 2.871 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135743204 1288324523 /nfs/dbraw/zinc/32/45/23/1288324523.db2.gz GQJLDSIJFVTKSL-IAGOWNOFSA-N 1 3 348.535 2.920 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135743633 1288324733 /nfs/dbraw/zinc/32/47/33/1288324733.db2.gz NFHLWOVJSVOZFS-HZPDHXFCSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001135744270 1288325559 /nfs/dbraw/zinc/32/55/59/1288325559.db2.gz YLWDAXWEXJIBDD-ZIAGYGMSSA-N 1 3 339.446 2.934 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135746629 1288327320 /nfs/dbraw/zinc/32/73/20/1288327320.db2.gz IPZLQWUYPVUYMR-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001135747164 1288328678 /nfs/dbraw/zinc/32/86/78/1288328678.db2.gz NXNGDDWFKYGBEC-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CN(C)C1(C(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)CCC1 ZINC001177339849 1288398923 /nfs/dbraw/zinc/39/89/23/1288398923.db2.gz RQYHGSYXMCJKDS-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)N(C)C ZINC001206301818 1288408525 /nfs/dbraw/zinc/40/85/25/1288408525.db2.gz RQIRNFJGOCBDKH-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC1(C)CCN(CC(=O)N(CCC[NH2+]CCF)CC2CCCC2)C1 ZINC001177415799 1288423273 /nfs/dbraw/zinc/42/32/73/1288423273.db2.gz MADNTYKSYLMQLW-UHFFFAOYSA-N 1 3 341.515 2.686 20 0 EFADHO CCCN(C)CC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177466961 1288431553 /nfs/dbraw/zinc/43/15/53/1288431553.db2.gz NGSRPZALKNIMIL-UHFFFAOYSA-N 1 3 329.504 2.686 20 0 EFADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]CC1CCC1)CC1CCCC1 ZINC001177430872 1288435967 /nfs/dbraw/zinc/43/59/67/1288435967.db2.gz APYAOCJEKNYUPD-UHFFFAOYSA-N 1 3 332.492 2.751 20 0 EFADHO CC[C@H](F)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177430844 1288436033 /nfs/dbraw/zinc/43/60/33/1288436033.db2.gz AAWWPNHCEXFKKD-INIZCTEOSA-N 1 3 338.471 2.699 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431092 1288437890 /nfs/dbraw/zinc/43/78/90/1288437890.db2.gz JIJUDQBNPKNWCL-OAHLLOKOSA-N 1 3 338.471 2.699 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CC[C@H](O)c3ccccc3)CC2)CC1 ZINC000817286131 1288502175 /nfs/dbraw/zinc/50/21/75/1288502175.db2.gz RYXDJISNNRFREO-NRFANRHFSA-N 1 3 345.531 2.602 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CC[C@H](O)c3ccccc3)CC2)CC1 ZINC000817286131 1288502179 /nfs/dbraw/zinc/50/21/79/1288502179.db2.gz RYXDJISNNRFREO-NRFANRHFSA-N 1 3 345.531 2.602 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc4c(c3)COC4)CC2)CC1 ZINC000817286416 1288505330 /nfs/dbraw/zinc/50/53/30/1288505330.db2.gz URNAWQSZBLXEEJ-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc4c(c3)COC4)CC2)CC1 ZINC000817286416 1288505334 /nfs/dbraw/zinc/50/53/34/1288505334.db2.gz URNAWQSZBLXEEJ-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl ZINC001178045025 1288634971 /nfs/dbraw/zinc/63/49/71/1288634971.db2.gz ANTRXEKLAXOWKU-YPDDLIOESA-N 1 3 336.307 2.666 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1ccc(C)cc1 ZINC001135979492 1288703907 /nfs/dbraw/zinc/70/39/07/1288703907.db2.gz GUXOJZLAQBOVGK-ZWKOTPCHSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135980599 1288705729 /nfs/dbraw/zinc/70/57/29/1288705729.db2.gz QHYJYXFTLQEKJC-KGLIPLIRSA-N 1 3 325.522 2.771 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135981105 1288706392 /nfs/dbraw/zinc/70/63/92/1288706392.db2.gz XZXWAEMSVFGUTF-SJORKVTESA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001135981063 1288706702 /nfs/dbraw/zinc/70/67/02/1288706702.db2.gz XBOINFHPEDMCOI-GJZGRUSLSA-N 1 3 325.522 2.505 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135981008 1288706897 /nfs/dbraw/zinc/70/68/97/1288706897.db2.gz WGCZMWIRLCJSHE-ROUUACIJSA-N 1 3 333.520 2.752 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135981217 1288707962 /nfs/dbraw/zinc/70/79/62/1288707962.db2.gz ZPMSKLUUXQHUEY-ZWKOTPCHSA-N 1 3 349.519 2.589 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]CCC(F)(F)F)CCC1 ZINC001178692984 1288872726 /nfs/dbraw/zinc/87/27/26/1288872726.db2.gz FZWXKRGKEAJVET-UHFFFAOYSA-N 1 3 337.430 2.689 20 0 EFADHO Cc1ncccc1C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178701840 1288878099 /nfs/dbraw/zinc/87/80/99/1288878099.db2.gz GALPRUWDOCSVGL-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO C[NH+](C)CCC(=O)NCCCNCc1cccc(Cl)c1Cl ZINC001165781247 1312680631 /nfs/dbraw/zinc/68/06/31/1312680631.db2.gz MRQVKRWVCGWANN-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001178759725 1288894991 /nfs/dbraw/zinc/89/49/91/1288894991.db2.gz NXEIEMQUPMIIDJ-AWEZNQCLSA-N 1 3 339.446 2.791 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001178759964 1288895006 /nfs/dbraw/zinc/89/50/06/1288895006.db2.gz SVLIUFULNHAAKY-IBGZPJMESA-N 1 3 348.535 2.742 20 0 EFADHO FC(F)(F)c1ccc(CN2CCCN(C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000903441080 1312685917 /nfs/dbraw/zinc/68/59/17/1312685917.db2.gz JAGDKVQNDDFNLZ-QGZVFWFLSA-N 1 3 341.421 2.965 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255714 1312682513 /nfs/dbraw/zinc/68/25/13/1312682513.db2.gz OAZLBZHYKASEMF-HZPDHXFCSA-N 1 3 343.496 2.544 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255714 1312682514 /nfs/dbraw/zinc/68/25/14/1312682514.db2.gz OAZLBZHYKASEMF-HZPDHXFCSA-N 1 3 343.496 2.544 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001178815956 1288944805 /nfs/dbraw/zinc/94/48/05/1288944805.db2.gz PSIPBPUDQLLUGQ-LJQANCHMSA-N 1 3 349.519 2.802 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001178815413 1288944945 /nfs/dbraw/zinc/94/49/45/1288944945.db2.gz BNJAXZCRUPPQNZ-GOSISDBHSA-N 1 3 337.483 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CCc2ccccc2)CC1 ZINC001165809453 1312685683 /nfs/dbraw/zinc/68/56/83/1312685683.db2.gz FFOKLWRDYZDCIJ-UHFFFAOYSA-N 1 3 345.531 2.836 20 0 EFADHO Cc1cccc2c1CC[N@@H+](Cc1ccc(N3CCN(C)CC3)nc1)C2 ZINC001232360309 1312685710 /nfs/dbraw/zinc/68/57/10/1312685710.db2.gz DXIZNWVIEYSBOS-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO Cc1cccc2c1CC[N@H+](Cc1ccc(N3CCN(C)CC3)nc1)C2 ZINC001232360309 1312685713 /nfs/dbraw/zinc/68/57/13/1312685713.db2.gz DXIZNWVIEYSBOS-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(N3CCN(C)CC3)nc1)C2 ZINC001232365107 1312686783 /nfs/dbraw/zinc/68/67/83/1312686783.db2.gz ZPEQIWRYKCDBCJ-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCN(C)CC3)nc1)C2 ZINC001232365107 1312686788 /nfs/dbraw/zinc/68/67/88/1312686788.db2.gz ZPEQIWRYKCDBCJ-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO Cc1ccc2c(c1)CCN(Cc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC001232365107 1312686792 /nfs/dbraw/zinc/68/67/92/1312686792.db2.gz ZPEQIWRYKCDBCJ-UHFFFAOYSA-N 1 3 336.483 2.700 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550269 1289186276 /nfs/dbraw/zinc/18/62/76/1289186276.db2.gz VQSYJVDSNQONKQ-HKUYNNGSSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[NH2+]CCCCCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179589775 1289190802 /nfs/dbraw/zinc/19/08/02/1289190802.db2.gz BFQQIPYOJWXVKY-SFHVURJKSA-N 1 3 329.504 2.874 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCCCC[NH2+]CC2CC2)C1 ZINC001179591230 1289192162 /nfs/dbraw/zinc/19/21/62/1289192162.db2.gz QBMWRCFKQLOYOC-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]Cc1ccccn1)CC(C)(C)C ZINC001179592516 1289192615 /nfs/dbraw/zinc/19/26/15/1289192615.db2.gz FQEKENMPBGRTJQ-UHFFFAOYSA-N 1 3 348.535 2.826 20 0 EFADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]Cc2cccnc2)C1 ZINC001179592425 1289192790 /nfs/dbraw/zinc/19/27/90/1289192790.db2.gz BCVRFXMGSKYHED-UHFFFAOYSA-N 1 3 346.519 2.580 20 0 EFADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179592792 1289193176 /nfs/dbraw/zinc/19/31/76/1289193176.db2.gz OHOGJODCZPFQCR-INIZCTEOSA-N 1 3 329.504 2.733 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001179593128 1289193294 /nfs/dbraw/zinc/19/32/94/1289193294.db2.gz XBILRJFFFGRWMS-UHFFFAOYSA-N 1 3 348.535 2.826 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCCCCC[NH2+]CCCF)C1 ZINC001179591640 1289193535 /nfs/dbraw/zinc/19/35/35/1289193535.db2.gz ZIDPFOBGQONVAF-GOSISDBHSA-N 1 3 347.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001179609279 1289197866 /nfs/dbraw/zinc/19/78/66/1289197866.db2.gz MCEVAFPCOZGMIB-HNNXBMFYSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179580889 1289200983 /nfs/dbraw/zinc/20/09/83/1289200983.db2.gz UQQKQZYHPYAORG-GOSISDBHSA-N 1 3 331.504 2.937 20 0 EFADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1OC(C)C ZINC001232391116 1312692351 /nfs/dbraw/zinc/69/23/51/1312692351.db2.gz HEOZYUBLJWVLBP-VQTJNVASSA-N 1 3 345.531 2.992 20 0 EFADHO Cc1cccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1OC(C)C ZINC001232391116 1312692355 /nfs/dbraw/zinc/69/23/55/1312692355.db2.gz HEOZYUBLJWVLBP-VQTJNVASSA-N 1 3 345.531 2.992 20 0 EFADHO Cc1ccc(OC(C)C)c(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1 ZINC001232397251 1312693281 /nfs/dbraw/zinc/69/32/81/1312693281.db2.gz LQSDKUDWIBPHDZ-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@H]3CCc4cccc(F)c4C3)CC2)CC1 ZINC001171010041 1289236873 /nfs/dbraw/zinc/23/68/73/1289236873.db2.gz KCSOKAFZYPZQOF-IBGZPJMESA-N 1 3 345.506 2.642 20 0 EFADHO COCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179745617 1289257223 /nfs/dbraw/zinc/25/72/23/1289257223.db2.gz FDNCBWWCSBYPRD-GOSISDBHSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)[C@@H]1C ZINC001179763355 1289262466 /nfs/dbraw/zinc/26/24/66/1289262466.db2.gz JCDOFYHYMQQQSG-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001179763986 1289262637 /nfs/dbraw/zinc/26/26/37/1289262637.db2.gz SFAYDPRLFULRBI-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179976785 1289346498 /nfs/dbraw/zinc/34/64/98/1289346498.db2.gz VJGDUOMHHVCTRF-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccccc2F)[C@@H]1C ZINC001179976785 1289346509 /nfs/dbraw/zinc/34/65/09/1289346509.db2.gz VJGDUOMHHVCTRF-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)[C@@H]1C ZINC001179986641 1289353174 /nfs/dbraw/zinc/35/31/74/1289353174.db2.gz BXZSNEKWTKQOGM-LNLFQRSKSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1C ZINC001179987360 1289354099 /nfs/dbraw/zinc/35/40/99/1289354099.db2.gz SAYKMYOBWIVVAN-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC[C@H]1CCCCO1 ZINC001180123858 1289425862 /nfs/dbraw/zinc/42/58/62/1289425862.db2.gz LVAMCBGVUJPNBU-GOSISDBHSA-N 1 3 341.540 2.554 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]CC1CC(C)(C)C1 ZINC001180158486 1289436933 /nfs/dbraw/zinc/43/69/33/1289436933.db2.gz MEVJDUKIAFLHNH-UHFFFAOYSA-N 1 3 334.508 2.963 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001180158295 1289437061 /nfs/dbraw/zinc/43/70/61/1289437061.db2.gz IHWKNOAPSSXTHU-FGTMMUONSA-N 1 3 346.519 2.963 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001180204119 1289442899 /nfs/dbraw/zinc/44/28/99/1289442899.db2.gz HQJKSKVJEODMCS-FADYNMQLSA-N 1 3 335.879 2.693 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@@H]1C ZINC001180226688 1289450940 /nfs/dbraw/zinc/45/09/40/1289450940.db2.gz GVWQLIHBHHZYCA-JVPBZIDWSA-N 1 3 347.478 2.732 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226879 1289451513 /nfs/dbraw/zinc/45/15/13/1289451513.db2.gz RJVOMWUZIBPBQD-LNLFQRSKSA-N 1 3 331.504 2.975 20 0 EFADHO O=C(CN1CCCC1)NCCCCCC[NH2+]C/C(Cl)=C\Cl ZINC001180274591 1289473831 /nfs/dbraw/zinc/47/38/31/1289473831.db2.gz LMYNYTUTHZBOAQ-SDNWHVSQSA-N 1 3 336.307 2.667 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001180389163 1289507332 /nfs/dbraw/zinc/50/73/32/1289507332.db2.gz GGHKVISSYJGNKP-WOJBJXKFSA-N 1 3 343.515 2.699 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001180389163 1289507339 /nfs/dbraw/zinc/50/73/39/1289507339.db2.gz GGHKVISSYJGNKP-WOJBJXKFSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)CCOCC[NH2+]CCCCCCNC(=O)CN(C)C(C)C ZINC001180369429 1289515773 /nfs/dbraw/zinc/51/57/73/1289515773.db2.gz FLVQZQMRGGOJEG-UHFFFAOYSA-N 1 3 343.556 2.656 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001166004081 1312716661 /nfs/dbraw/zinc/71/66/61/1312716661.db2.gz FKXHKJRRHRPAPA-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c(Cl)c1 ZINC001166010214 1312717817 /nfs/dbraw/zinc/71/78/17/1312717817.db2.gz LMYRFRYILAMOES-QGZVFWFLSA-N 1 3 339.911 2.831 20 0 EFADHO CN(CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCC1 ZINC001180630886 1289586951 /nfs/dbraw/zinc/58/69/51/1289586951.db2.gz ZFEVUJRXKFZBDV-LJQANCHMSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC001180630886 1289586956 /nfs/dbraw/zinc/58/69/56/1289586956.db2.gz ZFEVUJRXKFZBDV-LJQANCHMSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@@H+](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC001180630886 1289586962 /nfs/dbraw/zinc/58/69/62/1289586962.db2.gz ZFEVUJRXKFZBDV-LJQANCHMSA-N 1 3 329.488 2.814 20 0 EFADHO CN(CC(=O)N(CC[NH3+])C12CC3CC(CC(C3)C1)C2)C1CCCC1 ZINC001180630161 1289587583 /nfs/dbraw/zinc/58/75/83/1289587583.db2.gz LNINAHLYCXWKBI-UHFFFAOYSA-N 1 3 333.520 2.617 20 0 EFADHO CCCCN(C)C(=O)C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873203536 1289639901 /nfs/dbraw/zinc/63/99/01/1289639901.db2.gz HUHAVCXKYZQVHH-UHFFFAOYSA-N 1 3 349.544 2.864 20 0 EFADHO CCCNC(=O)C1(NCc2cc3c(s2)CC[NH2+]C3)CCCCC1 ZINC000873212002 1289646348 /nfs/dbraw/zinc/64/63/48/1289646348.db2.gz WCUBCCWAEHNQGV-UHFFFAOYSA-N 1 3 335.517 2.713 20 0 EFADHO CN(C)c1ncc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000873232000 1289668075 /nfs/dbraw/zinc/66/80/75/1289668075.db2.gz ISLPGFMQLYDVPP-YJBOKZPZSA-N 1 3 331.508 2.662 20 0 EFADHO Fc1ccc2c(c1)[C@H](NC[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292924 1289707791 /nfs/dbraw/zinc/70/77/91/1289707791.db2.gz WNOHZNJXEZIVCS-DOTOQJQBSA-N 1 3 334.435 2.788 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001181440310 1289806733 /nfs/dbraw/zinc/80/67/33/1289806733.db2.gz CYHTXPIJVATHLQ-CQJHEXMDSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181440512 1289807537 /nfs/dbraw/zinc/80/75/37/1289807537.db2.gz IVFPAFYUJNJMRB-YVWKXTFCSA-N 1 3 335.536 2.734 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001181652134 1289884842 /nfs/dbraw/zinc/88/48/42/1289884842.db2.gz JTAHNZXCCVXWNG-AEFFLSMTSA-N 1 3 349.906 2.557 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001181672590 1289898854 /nfs/dbraw/zinc/89/88/54/1289898854.db2.gz XYONAMUXYCKOML-FNVVLEBWSA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CC1CC(C)(C)C1 ZINC001181736319 1289938095 /nfs/dbraw/zinc/93/80/95/1289938095.db2.gz MMXYTIZIHYZALG-IIBYNOLFSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001181800881 1289943491 /nfs/dbraw/zinc/94/34/91/1289943491.db2.gz FMWOSMMWIXLPIM-MJQMVNBJSA-N 1 3 325.541 2.693 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001181885274 1289990464 /nfs/dbraw/zinc/99/04/64/1289990464.db2.gz UEHURVJJZYKZDG-YVWKXTFCSA-N 1 3 349.563 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001181941707 1290007014 /nfs/dbraw/zinc/00/70/14/1290007014.db2.gz MADUTEMDNJJVTB-QETWALASSA-N 1 3 329.916 2.543 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1 ZINC001181941478 1290007448 /nfs/dbraw/zinc/00/74/48/1290007448.db2.gz JDCUKRIFQNLQDX-VPWFFCTISA-N 1 3 337.552 2.837 20 0 EFADHO C[NH+]1CCC(C)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC001181989957 1290027081 /nfs/dbraw/zinc/02/70/81/1290027081.db2.gz FJDXMXSLOIYYKA-GOSISDBHSA-N 1 3 329.488 2.672 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC001182234227 1290115040 /nfs/dbraw/zinc/11/50/40/1290115040.db2.gz MQPYEBRKLNWOJC-HSALFYBXSA-N 1 3 343.515 2.870 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC001182234227 1290115044 /nfs/dbraw/zinc/11/50/44/1290115044.db2.gz MQPYEBRKLNWOJC-HSALFYBXSA-N 1 3 343.515 2.870 20 0 EFADHO CCCCC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623998 1290227695 /nfs/dbraw/zinc/22/76/95/1290227695.db2.gz XSWXNMONZLLBHI-YLJYHZDGSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001182637522 1290230569 /nfs/dbraw/zinc/23/05/69/1290230569.db2.gz IGILEGBEORPKMC-ZIFCJYIRSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(F)c2)C1 ZINC001182923969 1290269864 /nfs/dbraw/zinc/26/98/64/1290269864.db2.gz CAPCVVKBWWSSDY-OXQOHEQNSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001182934235 1290281488 /nfs/dbraw/zinc/28/14/88/1290281488.db2.gz UQJFQYMEEQYXBL-CRAIPNDOSA-N 1 3 337.533 2.664 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001182932712 1290281974 /nfs/dbraw/zinc/28/19/74/1290281974.db2.gz FIGKMSGJKYYIII-OXQOHEQNSA-N 1 3 337.552 2.839 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](F)CN(CC)CC)C2)c1 ZINC001182981732 1290290103 /nfs/dbraw/zinc/29/01/03/1290290103.db2.gz JMTUCSMFCAXFDO-RTBURBONSA-N 1 3 349.494 2.619 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC001413059922 1312771211 /nfs/dbraw/zinc/77/12/11/1312771211.db2.gz OJMNTDHEZWNNMQ-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCCCc2ccccc2)C1)C1CCC1 ZINC001183288405 1290322094 /nfs/dbraw/zinc/32/20/94/1290322094.db2.gz FYITXGOCDXHPBT-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001037130719 1290343333 /nfs/dbraw/zinc/34/33/33/1290343333.db2.gz ISARSSIXYSZIIM-ZWKOTPCHSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)N(C)C ZINC001183449621 1290348876 /nfs/dbraw/zinc/34/88/76/1290348876.db2.gz AUBJLJUCNQIFPB-IHEKOVBBSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1 ZINC001183516904 1290352772 /nfs/dbraw/zinc/35/27/72/1290352772.db2.gz DWCCLQIHJXLFCI-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001183516919 1290352801 /nfs/dbraw/zinc/35/28/01/1290352801.db2.gz FRALOVVPGQRQDV-INXVHJKPSA-N 1 3 341.927 2.688 20 0 EFADHO Fc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506940 1312786314 /nfs/dbraw/zinc/78/63/14/1312786314.db2.gz GKFJBDZYUIMWGL-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506940 1312786318 /nfs/dbraw/zinc/78/63/18/1312786318.db2.gz GKFJBDZYUIMWGL-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506940 1312786322 /nfs/dbraw/zinc/78/63/22/1312786322.db2.gz GKFJBDZYUIMWGL-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001184714770 1290498179 /nfs/dbraw/zinc/49/81/79/1290498179.db2.gz ZSLNHPADKUVENA-DLBZAZTESA-N 1 3 343.531 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1 ZINC001185347023 1290646928 /nfs/dbraw/zinc/64/69/28/1290646928.db2.gz DWWRGBPPOKENJH-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001185361225 1290650896 /nfs/dbraw/zinc/65/08/96/1290650896.db2.gz WPUVQMBVOMSSNC-MSOLQXFVSA-N 1 3 325.541 2.839 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001185361177 1290651607 /nfs/dbraw/zinc/65/16/07/1290651607.db2.gz VTDPONRPPSXVFV-HKUYNNGSSA-N 1 3 335.536 2.593 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@@H]1C ZINC001185361206 1290651673 /nfs/dbraw/zinc/65/16/73/1290651673.db2.gz WEJXWJXDNMAWBO-FUHWJXTLSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001185360795 1290651953 /nfs/dbraw/zinc/65/19/53/1290651953.db2.gz PSWGEJHOBQBREY-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001185361178 1290652130 /nfs/dbraw/zinc/65/21/30/1290652130.db2.gz VTDPONRPPSXVFV-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001037157939 1290668281 /nfs/dbraw/zinc/66/82/81/1290668281.db2.gz RFXICJKNQBZHHQ-ZWKOTPCHSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001037158601 1290689299 /nfs/dbraw/zinc/68/92/99/1290689299.db2.gz UDVAKFBMSJETQK-IAGOWNOFSA-N 1 3 344.503 2.715 20 0 EFADHO CC(C)[NH+]1CCC(CNc2cncc([C@H]3CN4CCC3CC4)n2)CC1 ZINC001166615911 1312803390 /nfs/dbraw/zinc/80/33/90/1312803390.db2.gz OFWGCPXEDJNORS-SFHVURJKSA-N 1 3 343.519 2.818 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001166627078 1312806577 /nfs/dbraw/zinc/80/65/77/1312806577.db2.gz PLTCTEUEMZDALD-HNNXBMFYSA-N 1 3 345.512 2.982 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001185547820 1290718893 /nfs/dbraw/zinc/71/88/93/1290718893.db2.gz JZHZBEVNGYLANU-AEFFLSMTSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001166627427 1312806623 /nfs/dbraw/zinc/80/66/23/1312806623.db2.gz VSFNBQRGYIEXCU-BAXHPOPBSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001166626391 1312805633 /nfs/dbraw/zinc/80/56/33/1312805633.db2.gz FHYTYZDSMPBPRD-KSSFIOAISA-N 1 3 349.906 2.908 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185763638 1290758387 /nfs/dbraw/zinc/75/83/87/1290758387.db2.gz UFIOSFDXBSBRJW-DLBZAZTESA-N 1 3 329.504 2.541 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001185752871 1290763716 /nfs/dbraw/zinc/76/37/16/1290763716.db2.gz VSRBXVHESYYWTD-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001166633865 1312808558 /nfs/dbraw/zinc/80/85/58/1312808558.db2.gz LUYMYTYVIBFDOY-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001166634465 1312808733 /nfs/dbraw/zinc/80/87/33/1312808733.db2.gz SWBMLBAVJLBOJU-OAHLLOKOSA-N 1 3 329.444 2.513 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl ZINC001166634879 1312808823 /nfs/dbraw/zinc/80/88/23/1312808823.db2.gz XIULFKARRFFVKC-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663982 1290789602 /nfs/dbraw/zinc/78/96/02/1290789602.db2.gz XXGJHPUTABXPMZ-WNRNVDISSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663982 1290789610 /nfs/dbraw/zinc/78/96/10/1290789610.db2.gz XXGJHPUTABXPMZ-WNRNVDISSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@H](NCCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1c(F)cccc1F ZINC001166645013 1312809979 /nfs/dbraw/zinc/80/99/79/1312809979.db2.gz LPHQMMZZAJNTIG-KBPBESRZSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H](NCCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1c(F)cccc1F ZINC001166645013 1312809983 /nfs/dbraw/zinc/80/99/83/1312809983.db2.gz LPHQMMZZAJNTIG-KBPBESRZSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC001166627012 1312806819 /nfs/dbraw/zinc/80/68/19/1312806819.db2.gz NYYYIADJMYVDFF-UONOGXRCSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001166627250 1312806926 /nfs/dbraw/zinc/80/69/26/1312806926.db2.gz TUVXCLRXAOIAJY-MJGOQNOKSA-N 1 3 343.515 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001166627212 1312807026 /nfs/dbraw/zinc/80/70/26/1312807026.db2.gz SHCZRUHQUJRGLE-VQIMIIECSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001166677562 1312816959 /nfs/dbraw/zinc/81/69/59/1312816959.db2.gz JZSWEMHNONJSRN-RDTXWAMCSA-N 1 3 349.906 2.765 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccccc1Cl ZINC001166677815 1312817151 /nfs/dbraw/zinc/81/71/51/1312817151.db2.gz NQDZWLWWUFNVQX-CABCVRRESA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001166676915 1312817238 /nfs/dbraw/zinc/81/72/38/1312817238.db2.gz DWPHVKWPSZCUPX-MJGOQNOKSA-N 1 3 343.515 2.544 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166677812 1312817471 /nfs/dbraw/zinc/81/74/71/1312817471.db2.gz NPRILHNORKZEJM-FUHWJXTLSA-N 1 3 331.504 2.802 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001166677561 1312817546 /nfs/dbraw/zinc/81/75/46/1312817546.db2.gz JZSWEMHNONJSRN-KSSFIOAISA-N 1 3 349.906 2.765 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001166677935 1312817594 /nfs/dbraw/zinc/81/75/94/1312817594.db2.gz QTYGCVLVKTWDHM-HUUCEWRRSA-N 1 3 337.895 2.839 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c1 ZINC001166677814 1312817680 /nfs/dbraw/zinc/81/76/80/1312817680.db2.gz NPRILHNORKZEJM-WMZOPIPTSA-N 1 3 331.504 2.802 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC2=CCCCC2)C1 ZINC001166687325 1312820537 /nfs/dbraw/zinc/82/05/37/1312820537.db2.gz NRXJJSSTLRYXQU-IBGZPJMESA-N 1 3 339.499 2.795 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687260 1312820825 /nfs/dbraw/zinc/82/08/25/1312820825.db2.gz LEZBKSHAQSVPAH-HXUWFJFHSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC2=CCCCC2)C1 ZINC001166687326 1312820843 /nfs/dbraw/zinc/82/08/43/1312820843.db2.gz NRXJJSSTLRYXQU-LJQANCHMSA-N 1 3 339.499 2.795 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)C(C)C ZINC001186428914 1290959138 /nfs/dbraw/zinc/95/91/38/1290959138.db2.gz ZYLVGTKMGKVIGQ-SJORKVTESA-N 1 3 337.533 2.805 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001186487586 1290963097 /nfs/dbraw/zinc/96/30/97/1290963097.db2.gz JLEHZEMLWUSILA-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001186488160 1290963761 /nfs/dbraw/zinc/96/37/61/1290963761.db2.gz NDGVEMQDRLQDMM-OOFWQKGWSA-N 1 3 349.906 2.886 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203650993 1291060151 /nfs/dbraw/zinc/06/01/51/1291060151.db2.gz KRYCYHNUXKIDFO-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001273532545 1291079248 /nfs/dbraw/zinc/07/92/48/1291079248.db2.gz LFJMXFRBTNGNAJ-FQEVSTJZSA-N 1 3 329.488 2.584 20 0 EFADHO CN(C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001273532545 1291079256 /nfs/dbraw/zinc/07/92/56/1291079256.db2.gz LFJMXFRBTNGNAJ-FQEVSTJZSA-N 1 3 329.488 2.584 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCc3cccs3)CC2)C1=O ZINC001273532447 1291079823 /nfs/dbraw/zinc/07/98/23/1291079823.db2.gz IKAXVEYZRIASPY-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCc3cccs3)CC2)C1=O ZINC001273532447 1291079832 /nfs/dbraw/zinc/07/98/32/1291079832.db2.gz IKAXVEYZRIASPY-IBGZPJMESA-N 1 3 349.544 2.557 20 0 EFADHO CCCN1CC[C@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000876963951 1291089061 /nfs/dbraw/zinc/08/90/61/1291089061.db2.gz MGRIAXDMRIANOS-OAHLLOKOSA-N 1 3 327.513 2.859 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166736104 1312831316 /nfs/dbraw/zinc/83/13/16/1312831316.db2.gz DNNRRPZKKXZQGB-KRWDZBQOSA-N 1 3 331.504 2.884 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001166736581 1312831471 /nfs/dbraw/zinc/83/14/71/1312831471.db2.gz NYQIDMGNQRGJNQ-LJQANCHMSA-N 1 3 343.515 2.892 20 0 EFADHO Cn1c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc2ccccc21 ZINC000877030309 1291110033 /nfs/dbraw/zinc/11/00/33/1291110033.db2.gz AWLYQSZQNXDGOF-IBGZPJMESA-N 1 3 327.472 2.911 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000877059241 1291121250 /nfs/dbraw/zinc/12/12/50/1291121250.db2.gz LCZGKHJJGWIRGL-YESZJQIVSA-N 1 3 335.492 2.500 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000877094027 1291133507 /nfs/dbraw/zinc/13/35/07/1291133507.db2.gz FRIJWVAGFMHBMF-MRXNPFEDSA-N 1 3 348.512 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(OC(C)C)c2)C1 ZINC001187284206 1291137652 /nfs/dbraw/zinc/13/76/52/1291137652.db2.gz KCSPXKOJQCZIEF-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cccc(C(F)(F)F)c1 ZINC000877129883 1291139219 /nfs/dbraw/zinc/13/92/19/1291139219.db2.gz GHBYVUHDEGBXED-LSDHHAIUSA-N 1 3 343.393 2.552 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001187299258 1291147986 /nfs/dbraw/zinc/14/79/86/1291147986.db2.gz XZCOHURNSMGNCR-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001187299258 1291147995 /nfs/dbraw/zinc/14/79/95/1291147995.db2.gz XZCOHURNSMGNCR-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000877290852 1291185300 /nfs/dbraw/zinc/18/53/00/1291185300.db2.gz MJQHLHWRPSDABK-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877290853 1291185500 /nfs/dbraw/zinc/18/55/00/1291185500.db2.gz MJQHLHWRPSDABK-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1C ZINC001166765111 1312838136 /nfs/dbraw/zinc/83/81/36/1312838136.db2.gz RSJRNAZIMTWQJC-UHFFFAOYSA-N 1 3 331.504 2.631 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC/C=C/c2ccccc2)C1 ZINC001166765135 1312838291 /nfs/dbraw/zinc/83/82/91/1312838291.db2.gz SVTPGEBAPLHGGX-IZZDOVSWSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877403874 1291226126 /nfs/dbraw/zinc/22/61/26/1291226126.db2.gz VWAQWSJMFVNKJW-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857707 1291249881 /nfs/dbraw/zinc/24/98/81/1291249881.db2.gz PPFNANUDZCLYEE-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187857707 1291249889 /nfs/dbraw/zinc/24/98/89/1291249889.db2.gz PPFNANUDZCLYEE-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856829 1291250315 /nfs/dbraw/zinc/25/03/15/1291250315.db2.gz DJZUDDZHFIRCES-DCWZWWHRSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856829 1291250321 /nfs/dbraw/zinc/25/03/21/1291250321.db2.gz DJZUDDZHFIRCES-DCWZWWHRSA-N 1 3 333.520 2.748 20 0 EFADHO CN(Cc1cccc2ncccc12)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000877526843 1291260978 /nfs/dbraw/zinc/26/09/78/1291260978.db2.gz VPBONKMTVUOPCI-LJQANCHMSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1cccc2ncccc12)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000877526843 1291260981 /nfs/dbraw/zinc/26/09/81/1291260981.db2.gz VPBONKMTVUOPCI-LJQANCHMSA-N 1 3 338.499 2.835 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000877653913 1291311083 /nfs/dbraw/zinc/31/10/83/1291311083.db2.gz RKWIUUYVOMHWEZ-INIZCTEOSA-N 1 3 325.497 2.567 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001188139589 1291316222 /nfs/dbraw/zinc/31/62/22/1291316222.db2.gz PPALERBMIYRJML-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001188139314 1291317497 /nfs/dbraw/zinc/31/74/97/1291317497.db2.gz LGWCXANELQYBPZ-GOSISDBHSA-N 1 3 331.504 2.643 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001188145460 1291318662 /nfs/dbraw/zinc/31/86/62/1291318662.db2.gz HTDMTSFONVLURP-LJQANCHMSA-N 1 3 339.483 2.871 20 0 EFADHO CC[NH+](CC)CCN(C(=N)N)C(=O)c1c(C)ccc(C(C)C)c1O ZINC001188188323 1291327609 /nfs/dbraw/zinc/32/76/09/1291327609.db2.gz VWMNJIJGRSIJAD-UHFFFAOYSA-N 1 3 334.464 2.501 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188158438 1291332842 /nfs/dbraw/zinc/33/28/42/1291332842.db2.gz OLFKQTJOXHGENN-ZWKOTPCHSA-N 1 3 331.504 2.895 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001188158416 1291334014 /nfs/dbraw/zinc/33/40/14/1291334014.db2.gz NPXGATKNUWFPOD-RTBURBONSA-N 1 3 343.515 2.637 20 0 EFADHO C[C@@H](C[NH+]1CCC(N2CCN(C)CC2)CC1)c1cc(F)cc(F)c1 ZINC000877745849 1291355328 /nfs/dbraw/zinc/35/53/28/1291355328.db2.gz AWWFTFUDELPJPU-HNNXBMFYSA-N 1 3 337.458 2.780 20 0 EFADHO CCCOc1ccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)cc1 ZINC000877747834 1291357661 /nfs/dbraw/zinc/35/76/61/1291357661.db2.gz FNMXMOJFLGXIPW-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CC/C=C/c1cccc(OC)c1)N(C)C ZINC001166852065 1312853788 /nfs/dbraw/zinc/85/37/88/1312853788.db2.gz LHEKSKJIUQCYGR-IUYMFKLXSA-N 1 3 347.503 2.535 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126784014 1291410922 /nfs/dbraw/zinc/41/09/22/1291410922.db2.gz AHFORCFYWVLIEL-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126784014 1291410925 /nfs/dbraw/zinc/41/09/25/1291410925.db2.gz AHFORCFYWVLIEL-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001166851538 1312854053 /nfs/dbraw/zinc/85/40/53/1312854053.db2.gz CLHLWNMEIZVDTH-CJNGLKHVSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001166851758 1312854077 /nfs/dbraw/zinc/85/40/77/1312854077.db2.gz GKUOFJDIZOXJLF-FQEVSTJZSA-N 1 3 341.499 2.818 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(CC(C)C)cc1)N(C)C ZINC001166852925 1312854444 /nfs/dbraw/zinc/85/44/44/1312854444.db2.gz YTNUTRCRUZVZJY-IBGZPJMESA-N 1 3 333.520 2.821 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C/C=C\c3ccccc3)C[C@H]21 ZINC001188956018 1291527088 /nfs/dbraw/zinc/52/70/88/1291527088.db2.gz BVCKVAWEHOYLQE-ZHJYEMEWSA-N 1 3 341.499 2.574 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962782 1291529579 /nfs/dbraw/zinc/52/95/79/1291529579.db2.gz FMNXLQOTQHFKFD-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188962783 1291530281 /nfs/dbraw/zinc/53/02/81/1291530281.db2.gz FMNXLQOTQHFKFD-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCCN(c1cncn1C)C2 ZINC001277765884 1312862144 /nfs/dbraw/zinc/86/21/44/1312862144.db2.gz VMHFDYUHTBWPFC-QGZVFWFLSA-N 1 3 331.489 2.678 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCCN(c1cncn1C)C2 ZINC001277765884 1312862148 /nfs/dbraw/zinc/86/21/48/1312862148.db2.gz VMHFDYUHTBWPFC-QGZVFWFLSA-N 1 3 331.489 2.678 20 0 EFADHO Cn1cncc1N[C@@]12CC[C@@]([NH2+]Cc3cccc(=O)[nH]3)(C1)CCC2 ZINC001277765713 1312862182 /nfs/dbraw/zinc/86/21/82/1312862182.db2.gz OTAIUDVARHGCFB-MSOLQXFVSA-N 1 3 327.432 2.568 20 0 EFADHO Cc1cc(F)ccc1CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188978714 1291552810 /nfs/dbraw/zinc/55/28/10/1291552810.db2.gz CVSCDYYDHICLLV-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979495 1291554445 /nfs/dbraw/zinc/55/44/45/1291554445.db2.gz OPJJDZIJPLTIKB-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001189111262 1291570725 /nfs/dbraw/zinc/57/07/25/1291570725.db2.gz XUFVGOHEUFYBCY-IPMKNSEASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001189111262 1291570730 /nfs/dbraw/zinc/57/07/30/1291570730.db2.gz XUFVGOHEUFYBCY-IPMKNSEASA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517137 1291697515 /nfs/dbraw/zinc/69/75/15/1291697515.db2.gz KETCGFWMICRURI-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517139 1291698185 /nfs/dbraw/zinc/69/81/85/1291698185.db2.gz KETCGFWMICRURI-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517136 1291698626 /nfs/dbraw/zinc/69/86/26/1291698626.db2.gz KETCGFWMICRURI-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2 ZINC000957517396 1291699187 /nfs/dbraw/zinc/69/91/87/1291699187.db2.gz QJRIGDGLFKHUFG-QBIOEUEZSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000957560352 1291766213 /nfs/dbraw/zinc/76/62/13/1291766213.db2.gz XDOCORRFPLWRPT-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614321 1312882363 /nfs/dbraw/zinc/88/23/63/1312882363.db2.gz MIQGIURJNINKRI-MSOLQXFVSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016615500 1312883112 /nfs/dbraw/zinc/88/31/12/1312883112.db2.gz WFBBKAHLJGYPSO-COXDATCZSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016615500 1312883115 /nfs/dbraw/zinc/88/31/15/1312883115.db2.gz WFBBKAHLJGYPSO-COXDATCZSA-N 1 3 339.911 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957602865 1291854545 /nfs/dbraw/zinc/85/45/45/1291854545.db2.gz JHZPAJYTRLRRFH-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC000957605644 1291859803 /nfs/dbraw/zinc/85/98/03/1291859803.db2.gz GKRCTURTHOTUJQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2)N1CCCCC1 ZINC001016620090 1312885537 /nfs/dbraw/zinc/88/55/37/1312885537.db2.gz GYSOUZNPVQEVGT-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC000957612253 1291878664 /nfs/dbraw/zinc/87/86/64/1291878664.db2.gz LUROKAKZIHZHDK-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049463773 1312888873 /nfs/dbraw/zinc/88/88/73/1312888873.db2.gz JDYBBQPCEZFATR-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049463773 1312888876 /nfs/dbraw/zinc/88/88/76/1312888876.db2.gz JDYBBQPCEZFATR-GBESFXJTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049463775 1312888922 /nfs/dbraw/zinc/88/89/22/1312888922.db2.gz JDYBBQPCEZFATR-IPMKNSEASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049463775 1312888925 /nfs/dbraw/zinc/88/89/25/1312888925.db2.gz JDYBBQPCEZFATR-IPMKNSEASA-N 1 3 333.520 2.725 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)CC2)CC1 ZINC000957626360 1291913059 /nfs/dbraw/zinc/91/30/59/1291913059.db2.gz MSFWWGJOUUZUBJ-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049465153 1312889631 /nfs/dbraw/zinc/88/96/31/1312889631.db2.gz QYEHBDNMJMZUMY-GUDVDZBRSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049465153 1312889635 /nfs/dbraw/zinc/88/96/35/1312889635.db2.gz QYEHBDNMJMZUMY-GUDVDZBRSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465937 1312890541 /nfs/dbraw/zinc/89/05/41/1312890541.db2.gz XOPFOKXHWDLHMT-GUDVDZBRSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1C(C)C ZINC001049465937 1312890544 /nfs/dbraw/zinc/89/05/44/1312890544.db2.gz XOPFOKXHWDLHMT-GUDVDZBRSA-N 1 3 335.536 2.971 20 0 EFADHO COC(=O)c1ccc2[nH]cc(C3CCN(C[C@@H]4CC[NH2+]C4)CC3)c2c1 ZINC000903575009 1312890656 /nfs/dbraw/zinc/89/06/56/1312890656.db2.gz BYFKWIHOOOYNLN-CQSZACIVSA-N 1 3 341.455 2.743 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCCN3CC)CC2)CC1 ZINC000957647906 1291959844 /nfs/dbraw/zinc/95/98/44/1291959844.db2.gz WYUIYOHNTBWUDU-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248397 1292040580 /nfs/dbraw/zinc/04/05/80/1292040580.db2.gz MJIVZMPMDQUJEO-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248893 1292041372 /nfs/dbraw/zinc/04/13/72/1292041372.db2.gz XVIYKMPYLCWITA-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001190237956 1292073665 /nfs/dbraw/zinc/07/36/65/1292073665.db2.gz GAAYHAVQAHBKHN-HTVKFUEVSA-N 1 3 341.499 2.573 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001190237956 1292073671 /nfs/dbraw/zinc/07/36/71/1292073671.db2.gz GAAYHAVQAHBKHN-HTVKFUEVSA-N 1 3 341.499 2.573 20 0 EFADHO CN(C)c1cc[nH+]cc1NC(=O)c1cnc(-c2ccccc2)nc1O ZINC001190257683 1292086252 /nfs/dbraw/zinc/08/62/52/1292086252.db2.gz IUAUWGFHQHFPDW-UHFFFAOYSA-N 1 3 335.367 2.563 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720557 1292130727 /nfs/dbraw/zinc/13/07/27/1292130727.db2.gz RCROZMUQYVQRQT-OUNSHVDWSA-N 1 3 349.563 2.933 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000957720557 1292130731 /nfs/dbraw/zinc/13/07/31/1292130731.db2.gz RCROZMUQYVQRQT-OUNSHVDWSA-N 1 3 349.563 2.933 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3cc4cccnc4s3)CC2)CC1 ZINC001233348400 1312908104 /nfs/dbraw/zinc/90/81/04/1312908104.db2.gz ZXOLVROVMLDXPM-UHFFFAOYSA-N 1 3 330.501 2.508 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000957762008 1292207411 /nfs/dbraw/zinc/20/74/11/1292207411.db2.gz WAAMQLSHJDHTCZ-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000957768188 1292215012 /nfs/dbraw/zinc/21/50/12/1292215012.db2.gz HRDBXVYWICJOSL-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000957768188 1292215019 /nfs/dbraw/zinc/21/50/19/1292215019.db2.gz HRDBXVYWICJOSL-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1 ZINC000957777907 1292231701 /nfs/dbraw/zinc/23/17/01/1292231701.db2.gz CDLBLSSFRQRRES-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC000957777907 1292231706 /nfs/dbraw/zinc/23/17/06/1292231706.db2.gz CDLBLSSFRQRRES-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C12CCC2 ZINC001203360272 1312912397 /nfs/dbraw/zinc/91/23/97/1312912397.db2.gz WKYDPSPORKUBHB-SJORKVTESA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655589 1292268267 /nfs/dbraw/zinc/26/82/67/1292268267.db2.gz QLBPBHJVSXXVPK-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655589 1292268274 /nfs/dbraw/zinc/26/82/74/1292268274.db2.gz QLBPBHJVSXXVPK-OALUTQOASA-N 1 3 333.520 2.892 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655551 1292268327 /nfs/dbraw/zinc/26/83/27/1292268327.db2.gz QDFWJXIIKSNIMR-GJZGRUSLSA-N 1 3 349.441 2.592 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655551 1292268335 /nfs/dbraw/zinc/26/83/35/1292268335.db2.gz QDFWJXIIKSNIMR-GJZGRUSLSA-N 1 3 349.441 2.592 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656924 1292270124 /nfs/dbraw/zinc/27/01/24/1292270124.db2.gz XYWTYUUOMIPOAG-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656924 1292270135 /nfs/dbraw/zinc/27/01/35/1292270135.db2.gz XYWTYUUOMIPOAG-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(C)c2)C1)N(C)C ZINC001190898017 1292370251 /nfs/dbraw/zinc/37/02/51/1292370251.db2.gz AZJZIBQYGHUKHZ-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(C)c2)C1)N(C)C ZINC001190898017 1292370259 /nfs/dbraw/zinc/37/02/59/1292370259.db2.gz AZJZIBQYGHUKHZ-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2C)CC1 ZINC001203437234 1312924293 /nfs/dbraw/zinc/92/42/93/1312924293.db2.gz HLYYZKVHXCZFCT-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191020537 1292429957 /nfs/dbraw/zinc/42/99/57/1292429957.db2.gz XOUKRIWRSTWRQK-YFPIXMDGSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191020537 1292429963 /nfs/dbraw/zinc/42/99/63/1292429963.db2.gz XOUKRIWRSTWRQK-YFPIXMDGSA-N 1 3 343.515 2.963 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191030496 1292433743 /nfs/dbraw/zinc/43/37/43/1292433743.db2.gz UAMRGAOWWUBRIF-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191030496 1292433750 /nfs/dbraw/zinc/43/37/50/1292433750.db2.gz UAMRGAOWWUBRIF-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001190996976 1292436263 /nfs/dbraw/zinc/43/62/63/1292436263.db2.gz PDARMUIWPYUPTN-HNNXBMFYSA-N 1 3 337.533 2.554 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001190996976 1292436273 /nfs/dbraw/zinc/43/62/73/1292436273.db2.gz PDARMUIWPYUPTN-HNNXBMFYSA-N 1 3 337.533 2.554 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000880384276 1292475543 /nfs/dbraw/zinc/47/55/43/1292475543.db2.gz VYMQECLOKJURFX-UHFFFAOYSA-N 1 3 332.492 2.632 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203513889 1312942538 /nfs/dbraw/zinc/94/25/38/1312942538.db2.gz ITTPJZSFMTZMFN-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203513894 1312942642 /nfs/dbraw/zinc/94/26/42/1312942642.db2.gz ITTPJZSFMTZMFN-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203515310 1312943204 /nfs/dbraw/zinc/94/32/04/1312943204.db2.gz RVOOPRMZAIIIFV-ZWKOTPCHSA-N 1 3 333.520 2.846 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203515414 1312943271 /nfs/dbraw/zinc/94/32/71/1312943271.db2.gz SOXWNIRIUOAHGQ-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203516651 1312943764 /nfs/dbraw/zinc/94/37/64/1312943764.db2.gz ZQPZJHIOHRPSAX-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203521070 1312944935 /nfs/dbraw/zinc/94/49/35/1312944935.db2.gz IFBOOPKXDALKPA-IAGOWNOFSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203522802 1312945707 /nfs/dbraw/zinc/94/57/07/1312945707.db2.gz OTWQMBUIBPILIM-MOPGFXCFSA-N 1 3 343.515 2.588 20 0 EFADHO Cc1ccnc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276319539 1292742658 /nfs/dbraw/zinc/74/26/58/1292742658.db2.gz LIDZEWLVJZPYIP-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1ccnc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001276319539 1292742665 /nfs/dbraw/zinc/74/26/65/1292742665.db2.gz LIDZEWLVJZPYIP-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1ccnc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001276319539 1292742673 /nfs/dbraw/zinc/74/26/73/1292742673.db2.gz LIDZEWLVJZPYIP-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008356 1292747974 /nfs/dbraw/zinc/74/79/74/1292747974.db2.gz WHFXUPDFLQWJNU-KOTDBNOLSA-N 1 3 329.488 2.574 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203520716 1312944613 /nfs/dbraw/zinc/94/46/13/1312944613.db2.gz HLXVIWBDXZOMQA-CHWSQXEVSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192028262 1292754431 /nfs/dbraw/zinc/75/44/31/1292754431.db2.gz FHOJVRFMWZDKMH-MAUKXSAKSA-N 1 3 347.478 2.761 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039060 1292757927 /nfs/dbraw/zinc/75/79/27/1292757927.db2.gz VPRBOTCVJJBLNC-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839549 1292815963 /nfs/dbraw/zinc/81/59/63/1292815963.db2.gz DHTGZESVJGEGPU-SRMHCROKSA-N 1 3 335.536 2.757 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839549 1292815974 /nfs/dbraw/zinc/81/59/74/1292815974.db2.gz DHTGZESVJGEGPU-SRMHCROKSA-N 1 3 335.536 2.757 20 0 EFADHO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)c1 ZINC001114840652 1292822271 /nfs/dbraw/zinc/82/22/71/1292822271.db2.gz MXGLYZSIAWYGDQ-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)CC(C)(C)C)c1 ZINC001114840652 1292822284 /nfs/dbraw/zinc/82/22/84/1292822284.db2.gz MXGLYZSIAWYGDQ-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114840307 1292822842 /nfs/dbraw/zinc/82/28/42/1292822842.db2.gz KGSCXBBGMMQTDM-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)CC(C)(C)C ZINC001114840307 1292822861 /nfs/dbraw/zinc/82/28/61/1292822861.db2.gz KGSCXBBGMMQTDM-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192343231 1292876981 /nfs/dbraw/zinc/87/69/81/1292876981.db2.gz NUEPATZSQQHTBM-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192343231 1292876998 /nfs/dbraw/zinc/87/69/98/1292876998.db2.gz NUEPATZSQQHTBM-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203578147 1312962442 /nfs/dbraw/zinc/96/24/42/1312962442.db2.gz UFNUDHBMUBELRB-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H](NCc2ccccc2F)C12CCC2 ZINC001203578147 1312962447 /nfs/dbraw/zinc/96/24/47/1312962447.db2.gz UFNUDHBMUBELRB-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CCN(C/C=C/Cl)CC2)[NH+]1CCCC1 ZINC001016762301 1312964843 /nfs/dbraw/zinc/96/48/43/1312964843.db2.gz YLQWCUNSNBKCLC-SBJJXXPASA-N 1 3 339.911 2.584 20 0 EFADHO Cc1nc(Cl)c(CCN2CC[C@@H](C)[C@H](C[NH3+])CC2)c(Cl)n1 ZINC001205604788 1292980665 /nfs/dbraw/zinc/98/06/65/1292980665.db2.gz XBPWIZKHPPQIDW-PWSUYJOCSA-N 1 3 331.291 2.941 20 0 EFADHO Cc1nc(Cl)c(CCN2CC[C@@H](C)[C@@H](C[NH3+])CC2)c(Cl)n1 ZINC001205604789 1292984954 /nfs/dbraw/zinc/98/49/54/1292984954.db2.gz XBPWIZKHPPQIDW-ZYHUDNBSSA-N 1 3 331.291 2.941 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114849479 1293016157 /nfs/dbraw/zinc/01/61/57/1293016157.db2.gz QQFCEJKGYIPJLC-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114849479 1293016161 /nfs/dbraw/zinc/01/61/61/1293016161.db2.gz QQFCEJKGYIPJLC-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2C)C1 ZINC001192946669 1293107028 /nfs/dbraw/zinc/10/70/28/1293107028.db2.gz CONAVYSNLIOPDU-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2C)C1 ZINC001192946669 1293107035 /nfs/dbraw/zinc/10/70/35/1293107035.db2.gz CONAVYSNLIOPDU-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192948975 1293109437 /nfs/dbraw/zinc/10/94/37/1293109437.db2.gz ZLJUTJHJVCAPDQ-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192948975 1293109440 /nfs/dbraw/zinc/10/94/40/1293109440.db2.gz ZLJUTJHJVCAPDQ-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049535244 1312977699 /nfs/dbraw/zinc/97/76/99/1312977699.db2.gz ZJKOHXDQBOGSQJ-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049535244 1312977702 /nfs/dbraw/zinc/97/77/02/1312977702.db2.gz ZJKOHXDQBOGSQJ-QRVBRYPASA-N 1 3 335.536 2.828 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203640529 1312978015 /nfs/dbraw/zinc/97/80/15/1312978015.db2.gz DCRVWGVVRCEJST-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001192969954 1293126922 /nfs/dbraw/zinc/12/69/22/1293126922.db2.gz OPUGMZOSYAKEMO-IEBWSBKVSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001192969954 1293126926 /nfs/dbraw/zinc/12/69/26/1293126926.db2.gz OPUGMZOSYAKEMO-IEBWSBKVSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001192970164 1293127955 /nfs/dbraw/zinc/12/79/55/1293127955.db2.gz QAYXBZFZVFRBBX-SQSZOCELSA-N 1 3 343.515 2.964 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001192970164 1293127958 /nfs/dbraw/zinc/12/79/58/1293127958.db2.gz QAYXBZFZVFRBBX-SQSZOCELSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203642292 1312979037 /nfs/dbraw/zinc/97/90/37/1312979037.db2.gz XZSHZHLMSCZNGN-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203642837 1312979253 /nfs/dbraw/zinc/97/92/53/1312979253.db2.gz ZFTNKLWYQPMERA-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203650259 1312980275 /nfs/dbraw/zinc/98/02/75/1312980275.db2.gz FUVPBTZTSWDGOX-JKSUJKDBSA-N 1 3 335.517 2.607 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203649647 1312980444 /nfs/dbraw/zinc/98/04/44/1312980444.db2.gz CWRYFELTBAKXIH-QZTJIDSGSA-N 1 3 347.547 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203661046 1312983681 /nfs/dbraw/zinc/98/36/81/1312983681.db2.gz SLVIRMFEZHIDFJ-IRXDYDNUSA-N 1 3 332.492 2.714 20 0 EFADHO COc1ccc2c(c1)nccc2N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000882726461 1293298658 /nfs/dbraw/zinc/29/86/58/1293298658.db2.gz VEPXVLLCRLPZRA-MRXNPFEDSA-N 1 3 341.455 2.981 20 0 EFADHO CC1(C[NH+]2CCC3(CCCN(Cc4cccc(=O)[nH]4)C3)CC2)COC1 ZINC001276416025 1312991880 /nfs/dbraw/zinc/99/18/80/1312991880.db2.gz ZLLYYBMGCDIBQV-UHFFFAOYSA-N 1 3 345.487 2.502 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460393 1293309694 /nfs/dbraw/zinc/30/96/94/1293309694.db2.gz BSYWGWDCAUDVTI-WTGAGXSVSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460393 1293309701 /nfs/dbraw/zinc/30/97/01/1293309701.db2.gz BSYWGWDCAUDVTI-WTGAGXSVSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460398 1293310631 /nfs/dbraw/zinc/31/06/31/1293310631.db2.gz BSYWGWDCAUDVTI-ZNIXBBRXSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460398 1293310637 /nfs/dbraw/zinc/31/06/37/1293310637.db2.gz BSYWGWDCAUDVTI-ZNIXBBRXSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569312 1293347267 /nfs/dbraw/zinc/34/72/67/1293347267.db2.gz ASFYEVZCZVMRBM-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193569311 1293347610 /nfs/dbraw/zinc/34/76/10/1293347610.db2.gz ASFYEVZCZVMRBM-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571972 1293349081 /nfs/dbraw/zinc/34/90/81/1293349081.db2.gz ZDKVYUNZUHWFIC-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1F ZINC001193560832 1293362671 /nfs/dbraw/zinc/36/26/71/1293362671.db2.gz VMOPJEARODNPKS-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(CC)c2)C1 ZINC001193621220 1293369186 /nfs/dbraw/zinc/36/91/86/1293369186.db2.gz DWKOQLAOUSKSGY-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001193621220 1293369196 /nfs/dbraw/zinc/36/91/96/1293369196.db2.gz DWKOQLAOUSKSGY-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001193630303 1293375168 /nfs/dbraw/zinc/37/51/68/1293375168.db2.gz HFPSBYYDZKDMNT-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001193630303 1293375175 /nfs/dbraw/zinc/37/51/75/1293375175.db2.gz HFPSBYYDZKDMNT-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001193642412 1293381039 /nfs/dbraw/zinc/38/10/39/1293381039.db2.gz NRSQCKAXLTWRJG-WMZOPIPTSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001193642412 1293381042 /nfs/dbraw/zinc/38/10/42/1293381042.db2.gz NRSQCKAXLTWRJG-WMZOPIPTSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001193643569 1293383560 /nfs/dbraw/zinc/38/35/60/1293383560.db2.gz WXXYICFEYRIKDV-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001193643569 1293383570 /nfs/dbraw/zinc/38/35/70/1293383570.db2.gz WXXYICFEYRIKDV-CVEARBPZSA-N 1 3 345.478 2.686 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001016828429 1313000689 /nfs/dbraw/zinc/00/06/89/1313000689.db2.gz FFJUXGYGUNROOG-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](Cc2ccsc2)CC3)C1 ZINC001016830107 1313000833 /nfs/dbraw/zinc/00/08/33/1313000833.db2.gz PZNXHARXMOSVLI-DOTOQJQBSA-N 1 3 347.528 2.561 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001016829734 1313001115 /nfs/dbraw/zinc/00/11/15/1313001115.db2.gz NFUPUIHKXIZCSD-SJLPKXTDSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016830841 1313001661 /nfs/dbraw/zinc/00/16/61/1313001661.db2.gz WRBLPNKRKIYGLD-MJGOQNOKSA-N 1 3 345.531 2.942 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2 ZINC001016830820 1313001801 /nfs/dbraw/zinc/00/18/01/1313001801.db2.gz WLTUGUNCANSCGX-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO C[N@H+](CCCCc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039905 1293509853 /nfs/dbraw/zinc/50/98/53/1293509853.db2.gz NRDRPSPCPDPPBB-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@@H+](CCCCc1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039905 1293509855 /nfs/dbraw/zinc/50/98/55/1293509855.db2.gz NRDRPSPCPDPPBB-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@H+](CC/C=C/c1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040893 1293509910 /nfs/dbraw/zinc/50/99/10/1293509910.db2.gz USIAMGMMBKKPDA-KKSMZRNKSA-N 1 3 341.499 2.718 20 0 EFADHO C[N@@H+](CC/C=C/c1ccccc1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194040893 1293509912 /nfs/dbraw/zinc/50/99/12/1293509912.db2.gz USIAMGMMBKKPDA-KKSMZRNKSA-N 1 3 341.499 2.718 20 0 EFADHO C[N@H+](CCCCc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039907 1293510420 /nfs/dbraw/zinc/51/04/20/1293510420.db2.gz NRDRPSPCPDPPBB-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO C[N@@H+](CCCCc1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194039907 1293510423 /nfs/dbraw/zinc/51/04/23/1293510423.db2.gz NRDRPSPCPDPPBB-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276420321 1313013116 /nfs/dbraw/zinc/01/31/16/1313013116.db2.gz DEUWTMFIUIVZSK-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276420321 1313013120 /nfs/dbraw/zinc/01/31/20/1313013120.db2.gz DEUWTMFIUIVZSK-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246721 1293569857 /nfs/dbraw/zinc/56/98/57/1293569857.db2.gz QMHNESBPGIIQRB-WBVHZDCISA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246721 1293569860 /nfs/dbraw/zinc/56/98/60/1293569860.db2.gz QMHNESBPGIIQRB-WBVHZDCISA-N 1 3 335.467 2.643 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194284399 1293587290 /nfs/dbraw/zinc/58/72/90/1293587290.db2.gz HJBMMIZPDUKHML-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194284399 1293587297 /nfs/dbraw/zinc/58/72/97/1293587297.db2.gz HJBMMIZPDUKHML-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)C/C=C\c2ccccc2)C1 ZINC001194285861 1293588897 /nfs/dbraw/zinc/58/88/97/1293588897.db2.gz SYUNVQNYKUIETB-POGDKVGISA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001194285861 1293588901 /nfs/dbraw/zinc/58/89/01/1293588901.db2.gz SYUNVQNYKUIETB-POGDKVGISA-N 1 3 329.488 2.573 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001194286246 1293589015 /nfs/dbraw/zinc/58/90/15/1293589015.db2.gz XQFFBAPJFBRRJJ-KRWDZBQOSA-N 1 3 337.895 2.713 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001194286246 1293589021 /nfs/dbraw/zinc/58/90/21/1293589021.db2.gz XQFFBAPJFBRRJJ-KRWDZBQOSA-N 1 3 337.895 2.713 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000883435156 1293591100 /nfs/dbraw/zinc/59/11/00/1293591100.db2.gz LQQNIGPOPHOJMZ-QGZVFWFLSA-N 1 3 346.471 2.693 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001194294209 1293591795 /nfs/dbraw/zinc/59/17/95/1293591795.db2.gz LAXZCNSCWXPTAI-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001194294209 1293591800 /nfs/dbraw/zinc/59/18/00/1293591800.db2.gz LAXZCNSCWXPTAI-HOTGVXAUSA-N 1 3 345.478 2.685 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194294103 1293592562 /nfs/dbraw/zinc/59/25/62/1293592562.db2.gz JTZDPSQTEFHZRO-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194294103 1293592566 /nfs/dbraw/zinc/59/25/66/1293592566.db2.gz JTZDPSQTEFHZRO-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1nc(C)c(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)o1 ZINC000883436689 1293593034 /nfs/dbraw/zinc/59/30/34/1293593034.db2.gz YJOZNLCSCZZNOV-UHFFFAOYSA-N 1 3 343.475 2.861 20 0 EFADHO Cc1nc(C)c(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)o1 ZINC000883436689 1293593042 /nfs/dbraw/zinc/59/30/42/1293593042.db2.gz YJOZNLCSCZZNOV-UHFFFAOYSA-N 1 3 343.475 2.861 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001194296022 1293593675 /nfs/dbraw/zinc/59/36/75/1293593675.db2.gz UOWCBLJHQITWJW-VUBAQRPUSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001194296022 1293593680 /nfs/dbraw/zinc/59/36/80/1293593680.db2.gz UOWCBLJHQITWJW-VUBAQRPUSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001016861985 1313015873 /nfs/dbraw/zinc/01/58/73/1313015873.db2.gz QSIMCLDXMVZHME-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001016862380 1313016430 /nfs/dbraw/zinc/01/64/30/1313016430.db2.gz XQPLNPFXIPMIOO-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203792306 1313017144 /nfs/dbraw/zinc/01/71/44/1313017144.db2.gz OOVZMODSHGKBMZ-IRXDYDNUSA-N 1 3 349.544 2.648 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203794097 1313017640 /nfs/dbraw/zinc/01/76/40/1313017640.db2.gz USKHMJUGLSKXRC-MSOLQXFVSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203794164 1313018008 /nfs/dbraw/zinc/01/80/08/1313018008.db2.gz VAZDRYQWFYCECP-MOPGFXCFSA-N 1 3 343.515 2.586 20 0 EFADHO Cc1ccc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001276421236 1313019712 /nfs/dbraw/zinc/01/97/12/1313019712.db2.gz WPIUUEUKJWHMJR-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1ccc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)c(C)n1 ZINC001276421236 1313019716 /nfs/dbraw/zinc/01/97/16/1313019716.db2.gz WPIUUEUKJWHMJR-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CC[N@@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276421247 1313019904 /nfs/dbraw/zinc/01/99/04/1313019904.db2.gz WZOWSHYQOQQSAE-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1ccc(CN2CCC[C@@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276421247 1313019907 /nfs/dbraw/zinc/01/99/07/1313019907.db2.gz WZOWSHYQOQQSAE-FQEVSTJZSA-N 1 3 330.520 2.548 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001202668101 1294005715 /nfs/dbraw/zinc/00/57/15/1294005715.db2.gz PZEKETNOPKXLRL-UHFFFAOYSA-N 1 3 340.471 2.556 20 0 EFADHO N[C@@H](CC1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000884205452 1294047602 /nfs/dbraw/zinc/04/76/02/1294047602.db2.gz XKFDBPQIURTZGD-IBGZPJMESA-N 1 3 329.488 2.806 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)CC3CC3)c2)CC1 ZINC000884204963 1294048160 /nfs/dbraw/zinc/04/81/60/1294048160.db2.gz IXWYWEYCTHOLNL-LJQANCHMSA-N 1 3 329.488 2.662 20 0 EFADHO N[C@H](CC1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000884205453 1294048246 /nfs/dbraw/zinc/04/82/46/1294048246.db2.gz XKFDBPQIURTZGD-LJQANCHMSA-N 1 3 329.488 2.806 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000884217637 1294052557 /nfs/dbraw/zinc/05/25/57/1294052557.db2.gz SLSLWABGTFXKQA-FPOVZHCZSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000884217637 1294052562 /nfs/dbraw/zinc/05/25/62/1294052562.db2.gz SLSLWABGTFXKQA-FPOVZHCZSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000884217638 1294053004 /nfs/dbraw/zinc/05/30/04/1294053004.db2.gz SLSLWABGTFXKQA-PZJWPPBQSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](CC1CC1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000884217638 1294053011 /nfs/dbraw/zinc/05/30/11/1294053011.db2.gz SLSLWABGTFXKQA-PZJWPPBQSA-N 1 3 341.499 2.629 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)CC2CC2)CCCC1)c1ccccc1 ZINC000884219497 1294053777 /nfs/dbraw/zinc/05/37/77/1294053777.db2.gz QNYUGYOVWPTJQI-QAPCUYQASA-N 1 3 329.488 2.894 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H](CC(C)C)[NH2+]C)c(C)c2)CC1 ZINC000884233664 1294058901 /nfs/dbraw/zinc/05/89/01/1294058901.db2.gz USDLQIXMHWYFBU-IBGZPJMESA-N 1 3 346.519 2.710 20 0 EFADHO CC(C)(C(=O)N1CCCN(CCCCCF)CC1)[NH+]1CCCCC1 ZINC001195845100 1294059330 /nfs/dbraw/zinc/05/93/30/1294059330.db2.gz FMLRKNDEKKLWHU-UHFFFAOYSA-N 1 3 341.515 2.925 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC001203925085 1313048320 /nfs/dbraw/zinc/04/83/20/1313048320.db2.gz JTTZJFOJCJPICE-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001203925600 1313048599 /nfs/dbraw/zinc/04/85/99/1313048599.db2.gz SXIYNHXYNRCBDR-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001203925603 1313048627 /nfs/dbraw/zinc/04/86/27/1313048627.db2.gz SXIYNHXYNRCBDR-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001203932920 1313050438 /nfs/dbraw/zinc/05/04/38/1313050438.db2.gz RIXJSOQURLJLFB-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO COc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203932861 1313050536 /nfs/dbraw/zinc/05/05/36/1313050536.db2.gz PNRQFVJZFIYSMW-INIZCTEOSA-N 1 3 347.503 2.677 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000884324942 1294098099 /nfs/dbraw/zinc/09/80/99/1294098099.db2.gz DYULHLJLBDJFMU-LJQANCHMSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000884324942 1294098102 /nfs/dbraw/zinc/09/81/02/1294098102.db2.gz DYULHLJLBDJFMU-LJQANCHMSA-N 1 3 341.499 2.629 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154448 1294151917 /nfs/dbraw/zinc/15/19/17/1294151917.db2.gz GQYNSJCQGUNHDL-ZMBJWTFHSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196154448 1294151920 /nfs/dbraw/zinc/15/19/20/1294151920.db2.gz GQYNSJCQGUNHDL-ZMBJWTFHSA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196163109 1294154981 /nfs/dbraw/zinc/15/49/81/1294154981.db2.gz IBVSMZRHIKBVQE-GOSISDBHSA-N 1 3 341.515 2.923 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001196163109 1294154985 /nfs/dbraw/zinc/15/49/85/1294154985.db2.gz IBVSMZRHIKBVQE-GOSISDBHSA-N 1 3 341.515 2.923 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196200569 1294161183 /nfs/dbraw/zinc/16/11/83/1294161183.db2.gz LVTOFWNPKKUSPZ-KRWDZBQOSA-N 1 3 327.488 2.535 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCCCCF)CC1 ZINC001196200569 1294161187 /nfs/dbraw/zinc/16/11/87/1294161187.db2.gz LVTOFWNPKKUSPZ-KRWDZBQOSA-N 1 3 327.488 2.535 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001016951740 1313056449 /nfs/dbraw/zinc/05/64/49/1313056449.db2.gz TUZPLFOXQDSTBA-SFHVURJKSA-N 1 3 344.503 2.812 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001196340519 1294203140 /nfs/dbraw/zinc/20/31/40/1294203140.db2.gz HZZHWLRNDHNJKG-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@H](C)CC(C)C)CC1 ZINC001196340519 1294203145 /nfs/dbraw/zinc/20/31/45/1294203145.db2.gz HZZHWLRNDHNJKG-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196340518 1294203578 /nfs/dbraw/zinc/20/35/78/1294203578.db2.gz HZZHWLRNDHNJKG-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196340518 1294203583 /nfs/dbraw/zinc/20/35/83/1294203583.db2.gz HZZHWLRNDHNJKG-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1C ZINC001273721651 1294250102 /nfs/dbraw/zinc/25/01/02/1294250102.db2.gz QHVSRWZHXHOZRS-WOJBJXKFSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)cc1C ZINC001273721651 1294250107 /nfs/dbraw/zinc/25/01/07/1294250107.db2.gz QHVSRWZHXHOZRS-WOJBJXKFSA-N 1 3 343.515 2.739 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641405 1294301155 /nfs/dbraw/zinc/30/11/55/1294301155.db2.gz FLHSFTBNLKORDS-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CCCN(Cc3ccccc3)CC2)CCCC1 ZINC001196641344 1294301492 /nfs/dbraw/zinc/30/14/92/1294301492.db2.gz BEKAZGYKEKYIKE-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc2nc(C[NH+]3CCC(N4CCN(C)CC4)CC3)ccc2c1 ZINC001137215798 1294302284 /nfs/dbraw/zinc/30/22/84/1294302284.db2.gz LSFVVEMYJHPMAL-UHFFFAOYSA-N 1 3 338.499 2.755 20 0 EFADHO CCCCCCN1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196642070 1294303114 /nfs/dbraw/zinc/30/31/14/1294303114.db2.gz ZBIWPTARYXWRGE-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO O=c1cccc(CN2CCCC3(CC[NH+](C[C@@H]4CCCO4)CC3)C2)[nH]1 ZINC001276435423 1313066424 /nfs/dbraw/zinc/06/64/24/1313066424.db2.gz ZSJUBDLWEHQRFA-SFHVURJKSA-N 1 3 345.487 2.644 20 0 EFADHO Cc1cc(C)c(CN2CCCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001196962116 1294423838 /nfs/dbraw/zinc/42/38/38/1294423838.db2.gz ATPVFDQAIZMCMJ-UHFFFAOYSA-N 1 3 345.531 2.988 20 0 EFADHO CC(C)c1ccccc1CN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048226 1294440066 /nfs/dbraw/zinc/44/00/66/1294440066.db2.gz BCNLXDCUHTYJPA-UHFFFAOYSA-N 1 3 331.504 2.796 20 0 EFADHO CN(CC(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1)C1CCC1 ZINC000958791362 1294490509 /nfs/dbraw/zinc/49/05/09/1294490509.db2.gz QDQUMFQXRCLVFX-HXUWFJFHSA-N 1 3 341.499 2.596 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cnc(C)s3)(C1)CCC2 ZINC001276349094 1294515715 /nfs/dbraw/zinc/51/57/15/1294515715.db2.gz IZAQNEPNVRNHSR-SJORKVTESA-N 1 3 339.505 2.597 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)C(C)C ZINC001197484675 1294565187 /nfs/dbraw/zinc/56/51/87/1294565187.db2.gz HYDGGGRPAQSQLI-IRXDYDNUSA-N 1 3 329.504 2.635 20 0 EFADHO C[C@H](CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2)CC(F)(F)F ZINC001273747611 1294594201 /nfs/dbraw/zinc/59/42/01/1294594201.db2.gz PWXMHEBMQHGVCH-GOEBONIOSA-N 1 3 349.441 2.594 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+](CC4CCC4)CC3)C2)ccn1 ZINC001202734191 1294608247 /nfs/dbraw/zinc/60/82/47/1294608247.db2.gz UVNILFSFKDWQSZ-UHFFFAOYSA-N 1 3 329.488 2.796 20 0 EFADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095911961 1294611536 /nfs/dbraw/zinc/61/15/36/1294611536.db2.gz BNMGRGGDAZXNGW-YDZRNGNQSA-N 1 3 333.520 2.915 20 0 EFADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCN1C1CCCC1)C2 ZINC001095911961 1294611545 /nfs/dbraw/zinc/61/15/45/1294611545.db2.gz BNMGRGGDAZXNGW-YDZRNGNQSA-N 1 3 333.520 2.915 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2cc(C)cc(C)c2)CC1 ZINC001197691164 1294671337 /nfs/dbraw/zinc/67/13/37/1294671337.db2.gz DCUQGHZFSVEVBN-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2cc(C)cc(C)c2)CC1 ZINC001197691164 1294671345 /nfs/dbraw/zinc/67/13/45/1294671345.db2.gz DCUQGHZFSVEVBN-UHFFFAOYSA-N 1 3 331.504 2.680 20 0 EFADHO O=c1cccc(CN2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)[nH]1 ZINC001276445116 1313093017 /nfs/dbraw/zinc/09/30/17/1313093017.db2.gz YSLYYSZLEOXLRQ-GOSISDBHSA-N 1 3 345.487 2.644 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001197708125 1294683591 /nfs/dbraw/zinc/68/35/91/1294683591.db2.gz WROJINYVKJDXKF-UHFFFAOYSA-N 1 3 343.515 2.940 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccccc2C2CC2)CC1 ZINC001197708125 1294683601 /nfs/dbraw/zinc/68/36/01/1294683601.db2.gz WROJINYVKJDXKF-UHFFFAOYSA-N 1 3 343.515 2.940 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1CCCN(CCCF)CC1 ZINC001197794021 1294717035 /nfs/dbraw/zinc/71/70/35/1294717035.db2.gz FZWLIVKQBZUFQE-UHFFFAOYSA-N 1 3 329.504 2.783 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197810022 1294727378 /nfs/dbraw/zinc/72/73/78/1294727378.db2.gz QGOTVYJWGDHEPY-WYNBNGFRSA-N 1 3 335.536 2.997 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001197907989 1294795967 /nfs/dbraw/zinc/79/59/67/1294795967.db2.gz NYNVIXMFZDVFPR-HXUWFJFHSA-N 1 3 343.515 2.940 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001197907989 1294795978 /nfs/dbraw/zinc/79/59/78/1294795978.db2.gz NYNVIXMFZDVFPR-HXUWFJFHSA-N 1 3 343.515 2.940 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006403177 1294819180 /nfs/dbraw/zinc/81/91/80/1294819180.db2.gz YSKAJTNUMUSMPX-NVXWUHKLSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006403177 1294819185 /nfs/dbraw/zinc/81/91/85/1294819185.db2.gz YSKAJTNUMUSMPX-NVXWUHKLSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CCCC3)CC2)cc1 ZINC001006406402 1294917366 /nfs/dbraw/zinc/91/73/66/1294917366.db2.gz IQEFJUBYMFYHIF-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+]1CCCC1 ZINC001198259550 1294959350 /nfs/dbraw/zinc/95/93/50/1294959350.db2.gz QGUDQXKLMUHTQS-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640463 1313122775 /nfs/dbraw/zinc/12/27/75/1313122775.db2.gz VUMAVHDHXHIACE-GMNCBBECSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640463 1313122776 /nfs/dbraw/zinc/12/27/76/1313122776.db2.gz VUMAVHDHXHIACE-GMNCBBECSA-N 1 3 347.547 2.972 20 0 EFADHO O=C(Nc1ccc(F)cc1)C1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903726045 1313123171 /nfs/dbraw/zinc/12/31/71/1313123171.db2.gz JUQSYZZZEZACFI-HNNXBMFYSA-N 1 3 333.451 2.866 20 0 EFADHO CN(C[C@@H]1CCCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000903726262 1313123259 /nfs/dbraw/zinc/12/32/59/1313123259.db2.gz LLBVSIKIAHKOKP-QGZVFWFLSA-N 1 3 329.488 2.613 20 0 EFADHO O[C@H](C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)c1ccccn1 ZINC000886648619 1295089041 /nfs/dbraw/zinc/08/90/41/1295089041.db2.gz ZFSTXFXDBLAKBT-QKNQBKEWSA-N 1 3 337.467 2.569 20 0 EFADHO O[C@H](C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)c1ccccn1 ZINC000886648619 1295089053 /nfs/dbraw/zinc/08/90/53/1295089053.db2.gz ZFSTXFXDBLAKBT-QKNQBKEWSA-N 1 3 337.467 2.569 20 0 EFADHO O[C@@H](C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)c1ccccn1 ZINC000886648620 1295089849 /nfs/dbraw/zinc/08/98/49/1295089849.db2.gz ZFSTXFXDBLAKBT-ZVDOUQERSA-N 1 3 337.467 2.569 20 0 EFADHO O[C@@H](C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)c1ccccn1 ZINC000886648620 1295089859 /nfs/dbraw/zinc/08/98/59/1295089859.db2.gz ZFSTXFXDBLAKBT-ZVDOUQERSA-N 1 3 337.467 2.569 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1OC ZINC001198752974 1295233595 /nfs/dbraw/zinc/23/35/95/1295233595.db2.gz WWHUVTDBLFLRSU-ZWKOTPCHSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)c1ccccc1OC ZINC001198752974 1295233604 /nfs/dbraw/zinc/23/36/04/1295233604.db2.gz WWHUVTDBLFLRSU-ZWKOTPCHSA-N 1 3 347.503 2.727 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(C)C ZINC001198760392 1295237744 /nfs/dbraw/zinc/23/77/44/1295237744.db2.gz VGQAJJGFXMKFHS-QGZVFWFLSA-N 1 3 347.503 2.582 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)c1ccccc1OC ZINC001198760022 1295238045 /nfs/dbraw/zinc/23/80/45/1295238045.db2.gz PROGBVJIXKFBGZ-QGZVFWFLSA-N 1 3 347.503 2.727 20 0 EFADHO CN(Cc1ccccc1N1CCCC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732997 1313137336 /nfs/dbraw/zinc/13/73/36/1313137336.db2.gz IWVBADLGIOBPIV-LJQANCHMSA-N 1 3 343.515 2.877 20 0 EFADHO CN(Cc1ccccc1N1CCCC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903732995 1313137850 /nfs/dbraw/zinc/13/78/50/1313137850.db2.gz IWVBADLGIOBPIV-IBGZPJMESA-N 1 3 343.515 2.877 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1OC)N(C)C ZINC001198776428 1295247039 /nfs/dbraw/zinc/24/70/39/1295247039.db2.gz RCOHEPHINPWVHN-QZTJIDSGSA-N 1 3 347.503 2.582 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)CN1CCC[C@@H]1C)c1ccccc1OC ZINC001198901880 1295301669 /nfs/dbraw/zinc/30/16/69/1295301669.db2.gz AEYLKHGKBRGWQS-FUHWJXTLSA-N 1 3 347.503 2.727 20 0 EFADHO CCC[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)c1ccccc1OC ZINC001198902846 1295305015 /nfs/dbraw/zinc/30/50/15/1295305015.db2.gz QOJIIPZHBQDXOX-QGZVFWFLSA-N 1 3 349.519 2.830 20 0 EFADHO CCCC[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)c1ccccc1OC ZINC001198903210 1295305903 /nfs/dbraw/zinc/30/59/03/1295305903.db2.gz WRNFYXZDELBFEG-WMZOPIPTSA-N 1 3 347.503 2.584 20 0 EFADHO CC/C=C/CCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885974 1295322091 /nfs/dbraw/zinc/32/20/91/1295322091.db2.gz WHJRDKPTKINXQQ-DKFQHHCZSA-N 1 3 347.503 2.750 20 0 EFADHO CCN[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)c1ccccc1OC ZINC001198932407 1295339508 /nfs/dbraw/zinc/33/95/08/1295339508.db2.gz NZRGPZYKCYBOBP-PKOBYXMFSA-N 1 3 349.519 2.828 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1OC ZINC001198939159 1295343243 /nfs/dbraw/zinc/34/32/43/1295343243.db2.gz HBTQQNAZEQGJGI-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CCCC[NH+](C)C)NCC1CC1 ZINC001198967418 1295364606 /nfs/dbraw/zinc/36/46/06/1295364606.db2.gz GGPHGLODSVLYCV-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198968580 1295365475 /nfs/dbraw/zinc/36/54/75/1295365475.db2.gz OEGSGTYUINPMGC-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](NCC1CC1)c1ccccc1OC ZINC001198968580 1295365488 /nfs/dbraw/zinc/36/54/88/1295365488.db2.gz OEGSGTYUINPMGC-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001203924533 1295393279 /nfs/dbraw/zinc/39/32/79/1295393279.db2.gz BPWXRGMXPZSDDR-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO COc1cc(NC2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc(OC)c1 ZINC000903742769 1313149868 /nfs/dbraw/zinc/14/98/68/1313149868.db2.gz ZOWZMQNKUYOHKT-MRXNPFEDSA-N 1 3 347.503 2.970 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4ccccc4n3)CC2)CC1 ZINC001204506552 1313151752 /nfs/dbraw/zinc/15/17/52/1313151752.db2.gz DZHHGYMCAYRCCH-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO CC1=C[C@H](C)[C@H](C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC1 ZINC001276473128 1313164182 /nfs/dbraw/zinc/16/41/82/1313164182.db2.gz UWEGHUQRNFWLKE-OALUTQOASA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890790 1295681620 /nfs/dbraw/zinc/68/16/20/1295681620.db2.gz QZBRJVNDGOHBIW-SJORKVTESA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001412890790 1295681633 /nfs/dbraw/zinc/68/16/33/1295681633.db2.gz QZBRJVNDGOHBIW-SJORKVTESA-N 1 3 337.895 2.932 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643929 1313176845 /nfs/dbraw/zinc/17/68/45/1313176845.db2.gz RJBMQOGPLJAGTN-SJORKVTESA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234643929 1313176848 /nfs/dbraw/zinc/17/68/48/1313176848.db2.gz RJBMQOGPLJAGTN-SJORKVTESA-N 1 3 329.504 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001234643334 1313176977 /nfs/dbraw/zinc/17/69/77/1313176977.db2.gz OEGIESUMWVKGCM-CVEARBPZSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001234643334 1313176980 /nfs/dbraw/zinc/17/69/80/1313176980.db2.gz OEGIESUMWVKGCM-CVEARBPZSA-N 1 3 329.504 2.635 20 0 EFADHO COc1ccc([C@@H]2CCCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1F ZINC000903767062 1313180567 /nfs/dbraw/zinc/18/05/67/1313180567.db2.gz STJSLHPALQDWDX-VDZJLULYSA-N 1 3 334.435 2.740 20 0 EFADHO c1ccc2c(c1)onc2N1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001204698693 1313182712 /nfs/dbraw/zinc/18/27/12/1313182712.db2.gz CHZPNIOJJUIILV-UHFFFAOYSA-N 1 3 340.471 2.730 20 0 EFADHO CCOC(=O)CCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277879887 1313184904 /nfs/dbraw/zinc/18/49/04/1313184904.db2.gz DVRISUIDLOCZTO-CALCHBBNSA-N 1 3 333.476 2.502 20 0 EFADHO CCOC(=O)CCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277879887 1313184907 /nfs/dbraw/zinc/18/49/07/1313184907.db2.gz DVRISUIDLOCZTO-CALCHBBNSA-N 1 3 333.476 2.502 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCc2ccsc2)CC1 ZINC001204794141 1313195980 /nfs/dbraw/zinc/19/59/80/1313195980.db2.gz WWSGMRPRQUUAQS-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001204799466 1313196587 /nfs/dbraw/zinc/19/65/87/1313196587.db2.gz XPJDAICKTMLSOO-FMSOUQGNSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC001412951764 1295943880 /nfs/dbraw/zinc/94/38/80/1295943880.db2.gz UPHPAHPUTHXWPE-KRWDZBQOSA-N 1 3 329.488 2.630 20 0 EFADHO CN(CCC(=O)N1CCCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC001412951764 1295943887 /nfs/dbraw/zinc/94/38/87/1295943887.db2.gz UPHPAHPUTHXWPE-KRWDZBQOSA-N 1 3 329.488 2.630 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccsc3)C2)CCC1 ZINC001017142979 1313199104 /nfs/dbraw/zinc/19/91/04/1313199104.db2.gz QGCDLGBGVQNTSK-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)CCC1 ZINC001017142979 1313199109 /nfs/dbraw/zinc/19/91/09/1313199109.db2.gz QGCDLGBGVQNTSK-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO CCC[C@H]1CN(C[C@H](O)C[N@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965116 1296018914 /nfs/dbraw/zinc/01/89/14/1296018914.db2.gz CIHLKWGPDHEYHV-LEWJYISDSA-N 1 3 347.547 2.674 20 0 EFADHO CCC[C@H]1CN(C[C@H](O)C[N@@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965116 1296018924 /nfs/dbraw/zinc/01/89/24/1296018924.db2.gz CIHLKWGPDHEYHV-LEWJYISDSA-N 1 3 347.547 2.674 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000903792457 1313221296 /nfs/dbraw/zinc/22/12/96/1313221296.db2.gz BKIWMOMEEYLDOG-FQEVSTJZSA-N 1 3 349.478 2.932 20 0 EFADHO CCOc1cc(CN2CCC(C[NH3+])CC2)ccc1OCCCOC ZINC001205046330 1313226084 /nfs/dbraw/zinc/22/60/84/1313226084.db2.gz DNKUSXXWNRXKKY-UHFFFAOYSA-N 1 3 336.476 2.671 20 0 EFADHO CN1CC2(C1)CCC[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001274920833 1296215699 /nfs/dbraw/zinc/21/56/99/1296215699.db2.gz QKJSWTNDDUNXFT-HXUWFJFHSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CC2(C1)CCC[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001274920833 1296215707 /nfs/dbraw/zinc/21/57/07/1296215707.db2.gz QKJSWTNDDUNXFT-HXUWFJFHSA-N 1 3 327.516 2.926 20 0 EFADHO Cc1cccc(Br)c1CN1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001235042633 1313229768 /nfs/dbraw/zinc/22/97/68/1313229768.db2.gz YWUQKXYNTLMIIL-CZUORRHYSA-N 1 3 339.277 2.568 20 0 EFADHO COc1cc(CN2CCC3(CC2)C[NH2+]Cc2ccccc23)c(F)cn1 ZINC001235090045 1313240524 /nfs/dbraw/zinc/24/05/24/1313240524.db2.gz JDAHOVMVQIEFJV-UHFFFAOYSA-N 1 3 341.430 2.866 20 0 EFADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC2(CC[NH2+]C2)CC1 ZINC001235103790 1313242240 /nfs/dbraw/zinc/24/22/40/1313242240.db2.gz KUUFXUHXMFWIAP-UHFFFAOYSA-N 1 3 341.455 2.920 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1)C1CCC1 ZINC000960023841 1296373538 /nfs/dbraw/zinc/37/35/38/1296373538.db2.gz YJFQMWZFQOOACE-KRWDZBQOSA-N 1 3 335.517 2.703 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275852537 1296436467 /nfs/dbraw/zinc/43/64/67/1296436467.db2.gz BGJFYQBIYUXGFY-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cn1 ZINC001275852537 1296436471 /nfs/dbraw/zinc/43/64/71/1296436471.db2.gz BGJFYQBIYUXGFY-UHFFFAOYSA-N 1 3 325.460 2.601 20 0 EFADHO Cc1cccc(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)n1 ZINC001275875333 1296441796 /nfs/dbraw/zinc/44/17/96/1296441796.db2.gz UEZGSRVOQQDDJU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1cccc(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001275875333 1296441802 /nfs/dbraw/zinc/44/18/02/1296441802.db2.gz UEZGSRVOQQDDJU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1cccc(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001275875333 1296441808 /nfs/dbraw/zinc/44/18/08/1296441808.db2.gz UEZGSRVOQQDDJU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC000960093591 1296447995 /nfs/dbraw/zinc/44/79/95/1296447995.db2.gz ZQCRZEFMIZANRB-AYOQOUSVSA-N 1 3 347.478 2.952 20 0 EFADHO CN1CCN(c2cccc(CN3CCCC[C@@]34CCC[NH2+]C4)c2)CC1 ZINC001235175815 1313257474 /nfs/dbraw/zinc/25/74/74/1313257474.db2.gz AVZXWXGTLWOEAT-NRFANRHFSA-N 1 3 342.531 2.547 20 0 EFADHO Cc1cc(Br)cc(C)c1CN1CCC[C@@](O)(C[NH3+])CC1 ZINC001205247263 1313258499 /nfs/dbraw/zinc/25/84/99/1313258499.db2.gz DSEIXEZIPCAKIR-INIZCTEOSA-N 1 3 341.293 2.742 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960130062 1296490281 /nfs/dbraw/zinc/49/02/81/1296490281.db2.gz FVNGTYQSQKEBNM-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNCc2ccccc2F)C1 ZINC000960130062 1296490283 /nfs/dbraw/zinc/49/02/83/1296490283.db2.gz FVNGTYQSQKEBNM-AEFFLSMTSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC000960131665 1296491379 /nfs/dbraw/zinc/49/13/79/1296491379.db2.gz PLAISZYPCLYKMD-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000960132179 1296491933 /nfs/dbraw/zinc/49/19/33/1296491933.db2.gz SOFFQNBFTGNRRA-WBVHZDCISA-N 1 3 335.517 2.703 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC000960132670 1296493020 /nfs/dbraw/zinc/49/30/20/1296493020.db2.gz XMRSMGCQXBPKGI-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC000960135785 1296497314 /nfs/dbraw/zinc/49/73/14/1296497314.db2.gz LACDHSKZLRLSPF-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO COc1cc(CN2CCC[C@@](C)([NH3+])CC2)ccc1-n1cnc(C)c1 ZINC001205281871 1313263984 /nfs/dbraw/zinc/26/39/84/1313263984.db2.gz ZDIXGDIJGOTUBV-LJQANCHMSA-N 1 3 328.460 2.893 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000960150119 1296510724 /nfs/dbraw/zinc/51/07/24/1296510724.db2.gz GOPGPDMWABMOBB-SFHVURJKSA-N 1 3 340.471 2.740 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC000960169606 1296536277 /nfs/dbraw/zinc/53/62/77/1296536277.db2.gz LEVORMAWMUQYCM-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1c1ccc(F)cc1 ZINC001205325662 1313269955 /nfs/dbraw/zinc/26/99/55/1313269955.db2.gz DFFARFSLGSCIMK-RBUKOAKNSA-N 1 3 349.494 2.848 20 0 EFADHO COc1ccc2[nH]nc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235230256 1313270002 /nfs/dbraw/zinc/27/00/02/1313270002.db2.gz URIFDRXIULGPDU-KRWDZBQOSA-N 1 3 328.460 2.926 20 0 EFADHO COc1ccc2n[nH]c(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235230256 1313270006 /nfs/dbraw/zinc/27/00/06/1313270006.db2.gz URIFDRXIULGPDU-KRWDZBQOSA-N 1 3 328.460 2.926 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]C/C=C\c3ccccc3)CC2)CCC1 ZINC001201037436 1296555232 /nfs/dbraw/zinc/55/52/32/1296555232.db2.gz ITHNQPUAUSOSOW-POHAHGRESA-N 1 3 341.499 2.765 20 0 EFADHO COC(=O)c1cccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1OC ZINC001235236749 1313270866 /nfs/dbraw/zinc/27/08/66/1313270866.db2.gz HWOODIJVERXUHS-SFHVURJKSA-N 1 3 346.471 2.836 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)cc(OC)c1 ZINC001235240223 1313271249 /nfs/dbraw/zinc/27/12/49/1313271249.db2.gz WSRVMCKXOACIGX-IBGZPJMESA-N 1 3 346.471 2.836 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1)C1CC1 ZINC001201053750 1296567828 /nfs/dbraw/zinc/56/78/28/1296567828.db2.gz WJNSAKKTJPLROM-OAHLLOKOSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222067 1313275254 /nfs/dbraw/zinc/27/52/54/1313275254.db2.gz MLNHAWNXEUFWHC-KRWDZBQOSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222067 1313275258 /nfs/dbraw/zinc/27/52/58/1313275258.db2.gz MLNHAWNXEUFWHC-KRWDZBQOSA-N 1 3 340.471 2.631 20 0 EFADHO O=C(CN1CCCC1)N1CCCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000960217688 1296594717 /nfs/dbraw/zinc/59/47/17/1296594717.db2.gz WSJQAWCADYYRLA-KRWDZBQOSA-N 1 3 349.906 2.907 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001017222515 1313275593 /nfs/dbraw/zinc/27/55/93/1313275593.db2.gz VLNLYLXUFLHSKQ-DAWZGUTISA-N 1 3 346.519 2.949 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001017222515 1313275597 /nfs/dbraw/zinc/27/55/97/1313275597.db2.gz VLNLYLXUFLHSKQ-DAWZGUTISA-N 1 3 346.519 2.949 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001017222504 1313275683 /nfs/dbraw/zinc/27/56/83/1313275683.db2.gz UYXUHIMKNFGJHZ-GOSISDBHSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001017222504 1313275689 /nfs/dbraw/zinc/27/56/89/1313275689.db2.gz UYXUHIMKNFGJHZ-GOSISDBHSA-N 1 3 340.471 2.631 20 0 EFADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259256 1313277009 /nfs/dbraw/zinc/27/70/09/1313277009.db2.gz CKWPTZLPYGNIPI-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259256 1313277013 /nfs/dbraw/zinc/27/70/13/1313277013.db2.gz CKWPTZLPYGNIPI-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017226039 1313278710 /nfs/dbraw/zinc/27/87/10/1313278710.db2.gz ICJSHDZUBWDJTK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017226039 1313278713 /nfs/dbraw/zinc/27/87/13/1313278713.db2.gz ICJSHDZUBWDJTK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001049768317 1313278839 /nfs/dbraw/zinc/27/88/39/1313278839.db2.gz VHUNTBLKIZXSDH-OKZBNKHCSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049768317 1313278842 /nfs/dbraw/zinc/27/88/42/1313278842.db2.gz VHUNTBLKIZXSDH-OKZBNKHCSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001049768753 1313279721 /nfs/dbraw/zinc/27/97/21/1313279721.db2.gz ZSFGMQYDSPDBHO-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCCC1 ZINC001049768753 1313279725 /nfs/dbraw/zinc/27/97/25/1313279725.db2.gz ZSFGMQYDSPDBHO-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2ccccc2C)CC1)N(C)C ZINC001201239348 1296646506 /nfs/dbraw/zinc/64/65/06/1296646506.db2.gz JRRWXSFGWOGAFL-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]C(C)C)C1 ZINC001205419473 1313285181 /nfs/dbraw/zinc/28/51/81/1313285181.db2.gz MAEVFEFORLTYFK-ZWKOTPCHSA-N 1 3 349.494 2.848 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC000960262141 1296665580 /nfs/dbraw/zinc/66/55/80/1296665580.db2.gz MKBXQVRQBQSKGS-GUDVDZBRSA-N 1 3 329.488 2.641 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCCC1 ZINC000960266300 1296671849 /nfs/dbraw/zinc/67/18/49/1296671849.db2.gz CNQSHLRSFWJMJO-QZTJIDSGSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC000960273992 1296686061 /nfs/dbraw/zinc/68/60/61/1296686061.db2.gz XLDQCIIPSPFXIP-GUDVDZBRSA-N 1 3 329.488 2.641 20 0 EFADHO Cc1cncc(Br)c1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276277618 1296697851 /nfs/dbraw/zinc/69/78/51/1296697851.db2.gz PIMZHACVSAGQGF-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO Cc1cncc(Br)c1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276277618 1296697868 /nfs/dbraw/zinc/69/78/68/1296697868.db2.gz PIMZHACVSAGQGF-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)C1CC1 ZINC001205462387 1313293319 /nfs/dbraw/zinc/29/33/19/1313293319.db2.gz WOTFYDYGCMDSLP-GOSISDBHSA-N 1 3 337.552 2.981 20 0 EFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000353463029 1313294177 /nfs/dbraw/zinc/29/41/77/1313294177.db2.gz UZQWZWPFNRYFBE-HSALFYBXSA-N 1 3 341.499 2.575 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353476810 1313294195 /nfs/dbraw/zinc/29/41/95/1313294195.db2.gz ZJIXIUGNESEOCV-SLFFLAALSA-N 1 3 341.499 2.575 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000960296986 1296714848 /nfs/dbraw/zinc/71/48/48/1296714848.db2.gz RJTAYFWQVMEFNT-RTBURBONSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001201327122 1296730000 /nfs/dbraw/zinc/73/00/00/1296730000.db2.gz GTVIEMGLTNWXRQ-LJQANCHMSA-N 1 3 343.515 2.985 20 0 EFADHO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000924579027 1296774457 /nfs/dbraw/zinc/77/44/57/1296774457.db2.gz UCBNQEPEKPSBJH-KXBFYZLASA-N 1 3 335.467 2.857 20 0 EFADHO Clc1cccc2[nH]cc(CN3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)c21 ZINC001235368358 1313303520 /nfs/dbraw/zinc/30/35/20/1313303520.db2.gz MTWMXYBAUYGIIB-PMUMKWKESA-N 1 3 331.847 2.774 20 0 EFADHO CNC(=O)c1cccc(CC[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000925115593 1296799277 /nfs/dbraw/zinc/79/92/77/1296799277.db2.gz SMDWUSWFEYZICP-UHFFFAOYSA-N 1 3 331.504 2.689 20 0 EFADHO CCCCOc1ncc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)cc1C ZINC001235377820 1313306182 /nfs/dbraw/zinc/30/61/82/1313306182.db2.gz DOMZSGYIMNDNDH-NLWGTHIKSA-N 1 3 345.487 2.522 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001205549151 1313310661 /nfs/dbraw/zinc/31/06/61/1313310661.db2.gz OULHWTJBNMXFAV-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925536399 1296848129 /nfs/dbraw/zinc/84/81/29/1296848129.db2.gz ONYOUZDMINTGCE-OALUTQOASA-N 1 3 345.487 2.642 20 0 EFADHO CCOc1ccc(C2(CN[C@@H]3CCC[NH2+][C@@H]3C)CCOCC2)cc1 ZINC000925555913 1296852099 /nfs/dbraw/zinc/85/20/99/1296852099.db2.gz DOQVMYSIRUGORC-VQIMIIECSA-N 1 3 332.488 2.864 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](N)C34CCC4)CC2)cs1 ZINC000925574584 1296857129 /nfs/dbraw/zinc/85/71/29/1296857129.db2.gz RVMLTYLXOZVYKB-IAGOWNOFSA-N 1 3 348.560 2.777 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC001205561974 1313313598 /nfs/dbraw/zinc/31/35/98/1313313598.db2.gz NDXXFFTUTKINHS-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO [NH3+]C[C@]1(F)CCCN(Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001205571573 1313315019 /nfs/dbraw/zinc/31/50/19/1313315019.db2.gz UWPXASMGVYNQEW-AWEZNQCLSA-N 1 3 335.345 2.676 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@](F)(C[NH3+])CC2)c(Cl)c1 ZINC001205579611 1313317123 /nfs/dbraw/zinc/31/71/23/1313317123.db2.gz OLWDYZYEJCJCBX-MRXNPFEDSA-N 1 3 328.815 2.780 20 0 EFADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423316 1313317974 /nfs/dbraw/zinc/31/79/74/1313317974.db2.gz FXTPAGUNTMRMJJ-CABCVRRESA-N 1 3 328.460 2.783 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235426306 1313318898 /nfs/dbraw/zinc/31/88/98/1313318898.db2.gz JZVLQCGGEPMHNQ-CVEARBPZSA-N 1 3 334.435 2.824 20 0 EFADHO C[C@H]1CCN(Cc2cc(O)ccc2Br)CC[C@H]1C[NH3+] ZINC001205615732 1313323344 /nfs/dbraw/zinc/32/33/44/1313323344.db2.gz AFHWXVMSCMPFPG-RYUDHWBXSA-N 1 3 327.266 2.962 20 0 EFADHO [NH3+]CCCCCN1CCN(c2ccc(Br)cc2)CC1 ZINC001235442110 1313323450 /nfs/dbraw/zinc/32/34/50/1313323450.db2.gz JFUSINLNNSDUBD-UHFFFAOYSA-N 1 3 326.282 2.700 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233877 1314461249 /nfs/dbraw/zinc/46/12/49/1314461249.db2.gz QSYJOYOYELRXRY-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO [NH3+][C@@H](CC(F)F)CN1CCN(Cc2cccc3ccccc32)CC1 ZINC000903876154 1313330354 /nfs/dbraw/zinc/33/03/54/1313330354.db2.gz DVFUQLIGPGLJCH-KRWDZBQOSA-N 1 3 333.426 2.940 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960478015 1297068340 /nfs/dbraw/zinc/06/83/40/1297068340.db2.gz KASANFHXISZWBE-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960478015 1297068350 /nfs/dbraw/zinc/06/83/50/1297068350.db2.gz KASANFHXISZWBE-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478022 1297068822 /nfs/dbraw/zinc/06/88/22/1297068822.db2.gz KDUDPHYSYKFEJL-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478022 1297068840 /nfs/dbraw/zinc/06/88/40/1297068840.db2.gz KDUDPHYSYKFEJL-RBUKOAKNSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C[C@H]1CCN1CCCCCF)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235511310 1313339531 /nfs/dbraw/zinc/33/95/31/1313339531.db2.gz FWJYYDYXFFLSAI-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@H]1CCN1CCCCCF)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235511310 1313339535 /nfs/dbraw/zinc/33/95/35/1313339535.db2.gz FWJYYDYXFFLSAI-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512272 1313339669 /nfs/dbraw/zinc/33/96/69/1313339669.db2.gz IPVQIQXPWWYGJO-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512272 1313339673 /nfs/dbraw/zinc/33/96/73/1313339673.db2.gz IPVQIQXPWWYGJO-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235510744 1313339800 /nfs/dbraw/zinc/33/98/00/1313339800.db2.gz CRXPCOLRSNGOPG-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235510744 1313339804 /nfs/dbraw/zinc/33/98/04/1313339804.db2.gz CRXPCOLRSNGOPG-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000960480927 1297078375 /nfs/dbraw/zinc/07/83/75/1297078375.db2.gz UTYIRGRPGDQNIE-RBUKOAKNSA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000960480927 1297078391 /nfs/dbraw/zinc/07/83/91/1297078391.db2.gz UTYIRGRPGDQNIE-RBUKOAKNSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960486139 1297092336 /nfs/dbraw/zinc/09/23/36/1297092336.db2.gz HPFZQXVCYSZFCU-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960486139 1297092344 /nfs/dbraw/zinc/09/23/44/1297092344.db2.gz HPFZQXVCYSZFCU-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC000960488185 1297097012 /nfs/dbraw/zinc/09/70/12/1297097012.db2.gz PXGXHMYOMFVTGS-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC000960488185 1297097025 /nfs/dbraw/zinc/09/70/25/1297097025.db2.gz PXGXHMYOMFVTGS-MJGOQNOKSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235517494 1313342782 /nfs/dbraw/zinc/34/27/82/1313342782.db2.gz ZFBAIUFJOYEHLT-SJORKVTESA-N 1 3 349.544 2.698 20 0 EFADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235517494 1313342785 /nfs/dbraw/zinc/34/27/85/1313342785.db2.gz ZFBAIUFJOYEHLT-SJORKVTESA-N 1 3 349.544 2.698 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203325243 1297116099 /nfs/dbraw/zinc/11/60/99/1297116099.db2.gz KUFRVQPXKZLPBO-STQMWFEESA-N 1 3 348.318 2.664 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCCCO)CC2 ZINC001235562291 1313352403 /nfs/dbraw/zinc/35/24/03/1313352403.db2.gz YARQBWSZINVBAB-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001273914933 1297138122 /nfs/dbraw/zinc/13/81/22/1297138122.db2.gz LOFQLTJOTDKDDC-GOSISDBHSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1ccccc1[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903890141 1313358629 /nfs/dbraw/zinc/35/86/29/1313358629.db2.gz YOMXBPFUVUCUOL-SJORKVTESA-N 1 3 325.460 2.501 20 0 EFADHO Cc1ccccc1C[C@@H]1CCCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892814 1313363350 /nfs/dbraw/zinc/36/33/50/1313363350.db2.gz WXUCSNPEOMNBOU-RBUKOAKNSA-N 1 3 339.487 2.718 20 0 EFADHO CC1CC(CN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000930454570 1297267958 /nfs/dbraw/zinc/26/79/58/1297267958.db2.gz GRIJQRNRQQDRIT-DQVLVPHSSA-N 1 3 327.516 2.925 20 0 EFADHO CC1CC(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000930454570 1297267967 /nfs/dbraw/zinc/26/79/67/1297267967.db2.gz GRIJQRNRQQDRIT-DQVLVPHSSA-N 1 3 327.516 2.925 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)N(C)C ZINC001110994851 1297280677 /nfs/dbraw/zinc/28/06/77/1297280677.db2.gz JFXKGNDWWANRKL-AKHDSKFASA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)N(C)C ZINC001110994851 1297280687 /nfs/dbraw/zinc/28/06/87/1297280687.db2.gz JFXKGNDWWANRKL-AKHDSKFASA-N 1 3 335.536 2.874 20 0 EFADHO C[NH+]1CC2(C1)CCN(Cc1ccc(O)c(OC(F)(F)F)c1)CC2 ZINC001235672577 1313371405 /nfs/dbraw/zinc/37/14/05/1313371405.db2.gz JPUDFHMJOZXVLD-UHFFFAOYSA-N 1 3 330.350 2.818 20 0 EFADHO C[NH+](C)CC1(O)CCN(CCCOc2ccc3ccccc3c2)CC1 ZINC000931484544 1297342612 /nfs/dbraw/zinc/34/26/12/1297342612.db2.gz QEAJVGRGCRRHFI-UHFFFAOYSA-N 1 3 342.483 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001202358920 1297350642 /nfs/dbraw/zinc/35/06/42/1297350642.db2.gz HUGABJHFCJVDOV-OJLWIZQOSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000960644017 1297353512 /nfs/dbraw/zinc/35/35/12/1297353512.db2.gz UXAMYJBOONPVFY-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000960644017 1297353527 /nfs/dbraw/zinc/35/35/27/1297353527.db2.gz UXAMYJBOONPVFY-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO COc1ccccc1O[C@@H]1CCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235687131 1313375237 /nfs/dbraw/zinc/37/52/37/1313375237.db2.gz FFIUOBNQNVYZAW-LJQANCHMSA-N 1 3 338.451 2.994 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3n2CC[NH2+]C3)C1 ZINC001235689682 1313375961 /nfs/dbraw/zinc/37/59/61/1313375961.db2.gz BAKNITOSVVOYOR-LJQANCHMSA-N 1 3 325.456 2.943 20 0 EFADHO COc1ccc(-c2cccc(N3CC[NH2+]CC3)c2)cc1CN(C)C ZINC001205929373 1313377537 /nfs/dbraw/zinc/37/75/37/1313377537.db2.gz KFMUNJOBDRNGIG-UHFFFAOYSA-N 1 3 325.456 2.833 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC000960667367 1297393775 /nfs/dbraw/zinc/39/37/75/1297393775.db2.gz HZCMCYNKCVVKBZ-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC000960667367 1297393789 /nfs/dbraw/zinc/39/37/89/1297393789.db2.gz HZCMCYNKCVVKBZ-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)cc1)[NH+](C)C ZINC000960687657 1297422225 /nfs/dbraw/zinc/42/22/25/1297422225.db2.gz MDIZTDFPPDKIQJ-MOPGFXCFSA-N 1 3 349.494 2.835 20 0 EFADHO COC(=O)c1cccc(CN2CCC(C3CC[NH2+]CC3)CC2)c1OC ZINC001235701973 1313380188 /nfs/dbraw/zinc/38/01/88/1313380188.db2.gz FSMRUTQEXJRIRN-UHFFFAOYSA-N 1 3 346.471 2.693 20 0 EFADHO Clc1ccc(CO[C@@H]2CCC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235709353 1313382007 /nfs/dbraw/zinc/38/20/07/1313382007.db2.gz FGYWBPONSPWRIX-ZWKOTPCHSA-N 1 3 338.879 2.700 20 0 EFADHO Clc1ccc(CO[C@@H]2CCC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235709353 1313382011 /nfs/dbraw/zinc/38/20/11/1313382011.db2.gz FGYWBPONSPWRIX-ZWKOTPCHSA-N 1 3 338.879 2.700 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960714889 1297465489 /nfs/dbraw/zinc/46/54/89/1297465489.db2.gz ZCNBNQLOEVWKRG-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960714889 1297465490 /nfs/dbraw/zinc/46/54/90/1297465490.db2.gz ZCNBNQLOEVWKRG-QZTJIDSGSA-N 1 3 335.467 2.589 20 0 EFADHO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903905870 1313388881 /nfs/dbraw/zinc/38/88/81/1313388881.db2.gz PMBQXNWGBZMKOT-ZBSSRIJBSA-N 1 3 336.501 2.614 20 0 EFADHO Cc1ccc([C@@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903910308 1313397234 /nfs/dbraw/zinc/39/72/34/1313397234.db2.gz LLGRZVMQRARNOZ-QZTJIDSGSA-N 1 3 325.460 2.501 20 0 EFADHO Brc1cccc([C@@H]2CN(C[C@H]3CCCC[NH2+]3)CCN2)c1 ZINC001235794974 1313397382 /nfs/dbraw/zinc/39/73/82/1313397382.db2.gz MVNFXMHDEWAIKQ-CVEARBPZSA-N 1 3 338.293 2.538 20 0 EFADHO Clc1ccc([C@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)CCN2)cc1 ZINC001235789887 1313396505 /nfs/dbraw/zinc/39/65/05/1313396505.db2.gz LGYBKGSBPVARGJ-OAHLLOKOSA-N 1 3 348.903 2.589 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC000960826409 1297627162 /nfs/dbraw/zinc/62/71/62/1297627162.db2.gz WCWZBESLNYTGNO-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017553318 1313410894 /nfs/dbraw/zinc/41/08/94/1313410894.db2.gz MERSPNQMOUFIEZ-DUBPFDJUSA-N 1 3 333.520 2.581 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017553318 1313410895 /nfs/dbraw/zinc/41/08/95/1313410895.db2.gz MERSPNQMOUFIEZ-DUBPFDJUSA-N 1 3 333.520 2.581 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC000960858757 1297691833 /nfs/dbraw/zinc/69/18/33/1297691833.db2.gz ABHIJUQSOIZFRS-PXNSSMCTSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC000960858757 1297691845 /nfs/dbraw/zinc/69/18/45/1297691845.db2.gz ABHIJUQSOIZFRS-PXNSSMCTSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960858789 1297703412 /nfs/dbraw/zinc/70/34/12/1297703412.db2.gz AFDVEIKVYNJJMO-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960858789 1297703421 /nfs/dbraw/zinc/70/34/21/1297703421.db2.gz AFDVEIKVYNJJMO-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC000960861689 1297713386 /nfs/dbraw/zinc/71/33/86/1297713386.db2.gz HCVQAHLOZMBPOS-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC000960861689 1297713394 /nfs/dbraw/zinc/71/33/94/1297713394.db2.gz HCVQAHLOZMBPOS-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C)N(C)C ZINC000960862463 1297715690 /nfs/dbraw/zinc/71/56/90/1297715690.db2.gz AASZUKNYQDEBQP-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC000960862463 1297715696 /nfs/dbraw/zinc/71/56/96/1297715696.db2.gz AASZUKNYQDEBQP-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO [NH3+]Cc1ccc(CN(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)cc1 ZINC001235935600 1313419941 /nfs/dbraw/zinc/41/99/41/1313419941.db2.gz LZUQQZLAHKHXQB-WOJBJXKFSA-N 1 3 327.447 2.848 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868263 1297727123 /nfs/dbraw/zinc/72/71/23/1297727123.db2.gz ZRUIRGMQRMAFBB-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868263 1297727128 /nfs/dbraw/zinc/72/71/28/1297727128.db2.gz ZRUIRGMQRMAFBB-LPHOPBHVSA-N 1 3 347.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960872529 1297731952 /nfs/dbraw/zinc/73/19/52/1297731952.db2.gz CQDLGJUAZRTDRD-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960872529 1297731959 /nfs/dbraw/zinc/73/19/59/1297731959.db2.gz CQDLGJUAZRTDRD-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO COc1ccccc1-c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235993632 1313428367 /nfs/dbraw/zinc/42/83/67/1313428367.db2.gz JDFVXJOABVBUSW-HTZLVSCSSA-N 1 3 338.451 2.768 20 0 EFADHO COc1ccc(-c2cccc(CN3C[C@H]4COC[C@@H](C3)C4[NH3+])c2)cc1 ZINC001235996300 1313428953 /nfs/dbraw/zinc/42/89/53/1313428953.db2.gz ZXYJBKNSQNVEPC-PMSBKCLSSA-N 1 3 338.451 2.768 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@@H]1CCc2ccccc21 ZINC000960909009 1297790671 /nfs/dbraw/zinc/79/06/71/1297790671.db2.gz JCUSCCOOCQERDK-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@@H]1CCc2ccccc21 ZINC000960909009 1297790676 /nfs/dbraw/zinc/79/06/76/1297790676.db2.gz JCUSCCOOCQERDK-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@@H]1CCc2ccccc21 ZINC000960908990 1297790818 /nfs/dbraw/zinc/79/08/18/1297790818.db2.gz JCUSCCOOCQERDK-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@@H]1CCc2ccccc21 ZINC000960908990 1297790826 /nfs/dbraw/zinc/79/08/26/1297790826.db2.gz JCUSCCOOCQERDK-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO CCOC(=O)[C@]12CN(Cc3ccc4cccccc3-4)C[C@H]1C[NH2+]CC2 ZINC001236040597 1313432415 /nfs/dbraw/zinc/43/24/15/1313432415.db2.gz PVBZTUACNLOFNE-WIYYLYMNSA-N 1 3 338.451 2.766 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3cc4ccccc4s3)C[C@H]1CNCC2 ZINC001236039572 1313432682 /nfs/dbraw/zinc/43/26/82/1313432682.db2.gz ZRHSDIAUEYLCOR-DNVCBOLYSA-N 1 3 344.480 2.876 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3cc4ccccc4s3)C[C@H]1CNCC2 ZINC001236039572 1313432684 /nfs/dbraw/zinc/43/26/84/1313432684.db2.gz ZRHSDIAUEYLCOR-DNVCBOLYSA-N 1 3 344.480 2.876 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001206301814 1313432735 /nfs/dbraw/zinc/43/27/35/1313432735.db2.gz RNYNZPCVNTWEDJ-FQEVSTJZSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001206307651 1313433778 /nfs/dbraw/zinc/43/37/78/1313433778.db2.gz MMWPQNBLDNLXIX-ZBWUASRJSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001206307650 1313433897 /nfs/dbraw/zinc/43/38/97/1313433897.db2.gz MMWPQNBLDNLXIX-WUQYLLKWSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC000947616078 1297843091 /nfs/dbraw/zinc/84/30/91/1297843091.db2.gz OPUNKGTXMVRRRK-ZIAGYGMSSA-N 1 3 349.441 2.782 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC000960937059 1297848634 /nfs/dbraw/zinc/84/86/34/1297848634.db2.gz FOGJYQZMOVQKSX-ACBHZAAOSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC000960937059 1297848629 /nfs/dbraw/zinc/84/86/29/1297848629.db2.gz FOGJYQZMOVQKSX-ACBHZAAOSA-N 1 3 335.536 2.687 20 0 EFADHO Cn1nccc1CN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001206329628 1313437239 /nfs/dbraw/zinc/43/72/39/1313437239.db2.gz BMFUAYKPZUSWII-GOSISDBHSA-N 1 3 328.460 2.890 20 0 EFADHO Cn1nccc1CN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001206329628 1313437241 /nfs/dbraw/zinc/43/72/41/1313437241.db2.gz BMFUAYKPZUSWII-GOSISDBHSA-N 1 3 328.460 2.890 20 0 EFADHO CC1(C)CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccccc21 ZINC000903932650 1313439828 /nfs/dbraw/zinc/43/98/28/1313439828.db2.gz FDAROODXTSDTHA-KRWDZBQOSA-N 1 3 339.487 2.539 20 0 EFADHO CCOc1ccc2ccccc2c1CN(C)CCN1CC[NH2+]CC1 ZINC001236083865 1313439825 /nfs/dbraw/zinc/43/98/25/1313439825.db2.gz WSVNQMYVXJPXOG-UHFFFAOYSA-N 1 3 327.472 2.576 20 0 EFADHO Cc1c(C[C@H](C[NH3+])CN[C@H](C)c2ccc3c(c2)CCCO3)cnn1C ZINC000903932541 1313440145 /nfs/dbraw/zinc/44/01/45/1313440145.db2.gz DLYIKVSWPDHAEQ-GDBMZVCRSA-N 1 3 342.487 2.522 20 0 EFADHO CC1(C)CCC[C@@H]1[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933000 1313440879 /nfs/dbraw/zinc/44/08/79/1313440879.db2.gz XXZOSXQWCHNONE-SOLBZPMBSA-N 1 3 331.508 2.851 20 0 EFADHO CCOC(=O)c1ccc(N2CCN(CCCCCC[NH3+])CC2)cc1 ZINC001236102112 1313441192 /nfs/dbraw/zinc/44/11/92/1313441192.db2.gz QGQWJULSROIJDM-UHFFFAOYSA-N 1 3 333.476 2.504 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000960981450 1297943026 /nfs/dbraw/zinc/94/30/26/1297943026.db2.gz YHBODKFRAUTOPW-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000960981450 1297943031 /nfs/dbraw/zinc/94/30/31/1297943031.db2.gz YHBODKFRAUTOPW-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCCC2CCCC2)CC1 ZINC001206403707 1313449046 /nfs/dbraw/zinc/44/90/46/1313449046.db2.gz SUWHZSWFQBKLMO-UHFFFAOYSA-N 1 3 332.492 2.751 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001206411811 1313449708 /nfs/dbraw/zinc/44/97/08/1313449708.db2.gz UWPMXPMGEMSYTD-SJORKVTESA-N 1 3 346.519 2.997 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000961010259 1298002701 /nfs/dbraw/zinc/00/27/01/1298002701.db2.gz LTPFMOYZEPFBAF-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC000961010259 1298002708 /nfs/dbraw/zinc/00/27/08/1298002708.db2.gz LTPFMOYZEPFBAF-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029896 1298032283 /nfs/dbraw/zinc/03/22/83/1298032283.db2.gz STSBYWSJYDUVPO-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029896 1298032290 /nfs/dbraw/zinc/03/22/90/1298032290.db2.gz STSBYWSJYDUVPO-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000948775806 1298063656 /nfs/dbraw/zinc/06/36/56/1298063656.db2.gz RHCXPLXZBXOESC-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000948775806 1298063667 /nfs/dbraw/zinc/06/36/67/1298063667.db2.gz RHCXPLXZBXOESC-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@H]1N(Cc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC001236291711 1313465980 /nfs/dbraw/zinc/46/59/80/1313465980.db2.gz LVFXCYNVCJFQTC-YTQUADARSA-N 1 3 348.462 2.969 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308630 1313468012 /nfs/dbraw/zinc/46/80/12/1313468012.db2.gz UXKPQQMXUQBQJY-WBVHZDCISA-N 1 3 325.447 2.541 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308630 1313468014 /nfs/dbraw/zinc/46/80/14/1313468014.db2.gz UXKPQQMXUQBQJY-WBVHZDCISA-N 1 3 325.447 2.541 20 0 EFADHO Brc1cccc2c(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)[nH]nc21 ZINC001236320143 1313468398 /nfs/dbraw/zinc/46/83/98/1313468398.db2.gz DGUUBVPSPNFSLJ-TXEJJXNPSA-N 1 3 349.276 2.757 20 0 EFADHO Brc1ccn2cc(CN3C[C@@H]4CC[NH2+]CC[C@@H]4C3)nc2c1 ZINC001236320174 1313468547 /nfs/dbraw/zinc/46/85/47/1313468547.db2.gz KPDOHVZJOLWWPM-BETUJISGSA-N 1 3 349.276 2.528 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909339 1313469966 /nfs/dbraw/zinc/46/99/66/1313469966.db2.gz ABDVGLWLLOUTGV-RTBURBONSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909339 1313469968 /nfs/dbraw/zinc/46/99/68/1313469968.db2.gz ABDVGLWLLOUTGV-RTBURBONSA-N 1 3 329.488 2.837 20 0 EFADHO COCCN(Cc1ccc2c(c1)C(C(C)C)=NCC2)[C@H]1CCC[NH2+]C1 ZINC001236328495 1313470409 /nfs/dbraw/zinc/47/04/09/1313470409.db2.gz HZYPVZATZQXFOJ-IBGZPJMESA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)c1 ZINC001049907012 1313465778 /nfs/dbraw/zinc/46/57/78/1313465778.db2.gz BFYILDOVNHITCV-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CC2CC2)c1 ZINC001049907012 1313465780 /nfs/dbraw/zinc/46/57/80/1313465780.db2.gz BFYILDOVNHITCV-UXHICEINSA-N 1 3 341.499 2.837 20 0 EFADHO COC(=O)c1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1O ZINC001236376503 1313474909 /nfs/dbraw/zinc/47/49/09/1313474909.db2.gz RWUYGFFYEUMXFU-MRXNPFEDSA-N 1 3 346.471 2.923 20 0 EFADHO COC(=O)c1cccc2c(CN3CCCC[C@](C)(C[NH3+])C3)c[nH]c21 ZINC001206563297 1313476797 /nfs/dbraw/zinc/47/67/97/1313476797.db2.gz BLJZHTUDTGAPDZ-LJQANCHMSA-N 1 3 329.444 2.905 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160306 1298231012 /nfs/dbraw/zinc/23/10/12/1298231012.db2.gz WIEUHALOWYRXBE-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160306 1298231027 /nfs/dbraw/zinc/23/10/27/1298231027.db2.gz WIEUHALOWYRXBE-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049918883 1313484980 /nfs/dbraw/zinc/48/49/80/1313484980.db2.gz NFSDICVFTFVMLZ-OKZBNKHCSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188645 1298273726 /nfs/dbraw/zinc/27/37/26/1298273726.db2.gz WDMWBSALRDZWIL-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188645 1298273736 /nfs/dbraw/zinc/27/37/36/1298273736.db2.gz WDMWBSALRDZWIL-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)n1 ZINC001236537666 1313490259 /nfs/dbraw/zinc/49/02/59/1313490259.db2.gz ZKTPNQBIIBUUSL-GOSISDBHSA-N 1 3 339.439 2.737 20 0 EFADHO CC[NH+]1CCC(CN2CC3(CCN3CCCC(F)(F)F)C2)CC1 ZINC001276491133 1313487009 /nfs/dbraw/zinc/48/70/09/1313487009.db2.gz CBXPQXXICLLBKQ-UHFFFAOYSA-N 1 3 333.442 2.821 20 0 EFADHO COc1cccc(O[C@H]2CCCN(Cc3ccc(C[NH3+])cc3)C2)n1 ZINC001236537320 1313490409 /nfs/dbraw/zinc/49/04/09/1313490409.db2.gz VEWGOHNCTUJFHK-KRWDZBQOSA-N 1 3 327.428 2.592 20 0 EFADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc(C[NH3+])cc3)C2)n1 ZINC001236537321 1313490079 /nfs/dbraw/zinc/49/00/79/1313490079.db2.gz VEWGOHNCTUJFHK-QGZVFWFLSA-N 1 3 327.428 2.592 20 0 EFADHO CN(Cc1ccc2n1CCNC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236583078 1313493802 /nfs/dbraw/zinc/49/38/02/1313493802.db2.gz IXSZJLXFUHOVOG-FQEVSTJZSA-N 1 3 338.499 2.688 20 0 EFADHO CN(Cc1ccc2n1CCNC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236583078 1313493804 /nfs/dbraw/zinc/49/38/04/1313493804.db2.gz IXSZJLXFUHOVOG-FQEVSTJZSA-N 1 3 338.499 2.688 20 0 EFADHO COc1ccc(O[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]C4)C2)nc1 ZINC001236623370 1313499513 /nfs/dbraw/zinc/49/95/13/1313499513.db2.gz SQMBLBAKSTYSJV-LJQANCHMSA-N 1 3 339.439 2.737 20 0 EFADHO CC[NH+]1CCC(CN2CC3(CN(CCCC(F)(F)F)C3)C2)CC1 ZINC001276491659 1313497739 /nfs/dbraw/zinc/49/77/39/1313497739.db2.gz MLKOHQDLKPHXLT-UHFFFAOYSA-N 1 3 333.442 2.678 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230038 1298372675 /nfs/dbraw/zinc/37/26/75/1298372675.db2.gz KFIQIHUSLZAWCA-SJORKVTESA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230038 1298372688 /nfs/dbraw/zinc/37/26/88/1298372688.db2.gz KFIQIHUSLZAWCA-SJORKVTESA-N 1 3 346.519 2.949 20 0 EFADHO CCOC(=O)c1cccc(CN(C)CC2CC[NH+](C(C)C)CC2)n1 ZINC001236644469 1313503047 /nfs/dbraw/zinc/50/30/47/1313503047.db2.gz GENCCJBNKXPEOJ-UHFFFAOYSA-N 1 3 333.476 2.811 20 0 EFADHO Cc1cccnc1O[C@H]1CCN(Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001236666253 1313505581 /nfs/dbraw/zinc/50/55/81/1313505581.db2.gz YWSDBZRVKNDBJA-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262815 1298445508 /nfs/dbraw/zinc/44/55/08/1298445508.db2.gz QBSLKTHFNXOEJL-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262815 1298445513 /nfs/dbraw/zinc/44/55/13/1298445513.db2.gz QBSLKTHFNXOEJL-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262812 1298446146 /nfs/dbraw/zinc/44/61/46/1298446146.db2.gz QBSLKTHFNXOEJL-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262812 1298446153 /nfs/dbraw/zinc/44/61/53/1298446153.db2.gz QBSLKTHFNXOEJL-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262811 1298446838 /nfs/dbraw/zinc/44/68/38/1298446838.db2.gz QBSLKTHFNXOEJL-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961262811 1298446842 /nfs/dbraw/zinc/44/68/42/1298446842.db2.gz QBSLKTHFNXOEJL-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCOC(=O)c1ccc2c(CN3C[C@H](C[NH3+])CC[C@H]3C)c[nH]c2c1 ZINC001206811428 1313515129 /nfs/dbraw/zinc/51/51/29/1313515129.db2.gz UMDOYPJGGGFFEI-KGLIPLIRSA-N 1 3 329.444 2.904 20 0 EFADHO COc1ccccc1CN(Cc1ccc(N)nc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710506 1313515788 /nfs/dbraw/zinc/51/57/88/1313515788.db2.gz CZDYMLRGBATUMD-IYARVYRRSA-N 1 3 340.471 2.945 20 0 EFADHO COc1ccccc1CN(Cc1ccnc(N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709482 1313515994 /nfs/dbraw/zinc/51/59/94/1313515994.db2.gz HBUWWEMMYZWQLO-IYARVYRRSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCN(C)C1 ZINC001276496960 1313520419 /nfs/dbraw/zinc/52/04/19/1313520419.db2.gz OBRNXPNMHFAXFI-OOKSDGMUSA-N 1 3 348.560 2.878 20 0 EFADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001276496960 1313520421 /nfs/dbraw/zinc/52/04/21/1313520421.db2.gz OBRNXPNMHFAXFI-OOKSDGMUSA-N 1 3 348.560 2.878 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961343926 1298583776 /nfs/dbraw/zinc/58/37/76/1298583776.db2.gz YBJBOPBYHLLNIE-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961343926 1298583783 /nfs/dbraw/zinc/58/37/83/1298583783.db2.gz YBJBOPBYHLLNIE-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1F ZINC000903980387 1313530246 /nfs/dbraw/zinc/53/02/46/1313530246.db2.gz QCSAKADBGLXZDN-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1F ZINC000903980387 1313530250 /nfs/dbraw/zinc/53/02/50/1313530250.db2.gz QCSAKADBGLXZDN-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1F ZINC000903980387 1313530256 /nfs/dbraw/zinc/53/02/56/1313530256.db2.gz QCSAKADBGLXZDN-HDICACEKSA-N 1 3 347.478 2.625 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373395 1298639733 /nfs/dbraw/zinc/63/97/33/1298639733.db2.gz HCICHEMMPWPVRT-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373395 1298639749 /nfs/dbraw/zinc/63/97/49/1298639749.db2.gz HCICHEMMPWPVRT-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961374271 1298642322 /nfs/dbraw/zinc/64/23/22/1298642322.db2.gz KQEAZCLVZFEHRG-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961374271 1298642333 /nfs/dbraw/zinc/64/23/33/1298642333.db2.gz KQEAZCLVZFEHRG-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC(C)C)C2)CC1)N(C)C ZINC000961379897 1298652782 /nfs/dbraw/zinc/65/27/82/1298652782.db2.gz WMJIRMLGQCQMAN-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC(C)C)C2)CC1)N(C)C ZINC000961379897 1298652792 /nfs/dbraw/zinc/65/27/92/1298652792.db2.gz WMJIRMLGQCQMAN-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400511 1298690296 /nfs/dbraw/zinc/69/02/96/1298690296.db2.gz HKMOXRGGSIMMHA-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC000961400511 1298690298 /nfs/dbraw/zinc/69/02/98/1298690298.db2.gz HKMOXRGGSIMMHA-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001490300798 1298721720 /nfs/dbraw/zinc/72/17/20/1298721720.db2.gz MOEWEKNVCVVJEQ-AEFFLSMTSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001490300798 1298721727 /nfs/dbraw/zinc/72/17/27/1298721727.db2.gz MOEWEKNVCVVJEQ-AEFFLSMTSA-N 1 3 341.515 2.970 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC001206890389 1313541119 /nfs/dbraw/zinc/54/11/19/1313541119.db2.gz PHIFDGUKKNGAPY-KRWDZBQOSA-N 1 3 325.541 2.839 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961437332 1298746282 /nfs/dbraw/zinc/74/62/82/1298746282.db2.gz ALPVXDNHOIRYSE-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961437332 1298746290 /nfs/dbraw/zinc/74/62/90/1298746290.db2.gz ALPVXDNHOIRYSE-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961437455 1298747363 /nfs/dbraw/zinc/74/73/63/1298747363.db2.gz BBWYLHWBQKYXEN-LJQANCHMSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961437455 1298747370 /nfs/dbraw/zinc/74/73/70/1298747370.db2.gz BBWYLHWBQKYXEN-LJQANCHMSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccn1 ZINC001490309406 1298751929 /nfs/dbraw/zinc/75/19/29/1298751929.db2.gz JGWDBGVTPLMPSL-HKUYNNGSSA-N 1 3 346.519 2.673 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccn1 ZINC001490309406 1298751943 /nfs/dbraw/zinc/75/19/43/1298751943.db2.gz JGWDBGVTPLMPSL-HKUYNNGSSA-N 1 3 346.519 2.673 20 0 EFADHO CCN(CC[NH+](CC)CC)Cc1cccc(N2CCN(C)CC2)c1 ZINC001236900760 1313549116 /nfs/dbraw/zinc/54/91/16/1313549116.db2.gz YXDZBOHEZRTJHB-UHFFFAOYSA-N 1 3 332.536 2.602 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001490454940 1298931368 /nfs/dbraw/zinc/93/13/68/1298931368.db2.gz YGYNBOVLVTZIQJ-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001490454940 1298931383 /nfs/dbraw/zinc/93/13/83/1298931383.db2.gz YGYNBOVLVTZIQJ-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001206952182 1313568468 /nfs/dbraw/zinc/56/84/68/1313568468.db2.gz CCNARIDCBOSFCR-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236999071 1313569162 /nfs/dbraw/zinc/56/91/62/1313569162.db2.gz HNYFFIMDYHNHBR-LMMKCTJWSA-N 1 3 331.504 2.696 20 0 EFADHO Cc1ccc(CC[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001206953334 1313569723 /nfs/dbraw/zinc/56/97/23/1313569723.db2.gz CMDQYNHKFWYNQC-UHFFFAOYSA-N 1 3 345.531 2.706 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cc1C ZINC001206954514 1313569874 /nfs/dbraw/zinc/56/98/74/1313569874.db2.gz LPGKSRVXLGOETC-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001206954556 1313570299 /nfs/dbraw/zinc/57/02/99/1313570299.db2.gz MZJNGKQBMJCPEJ-FQEVSTJZSA-N 1 3 343.515 2.842 20 0 EFADHO CCn1ccnc1CN1CCCC2(CCN(CCC[NH+](C)C)CC2)C1 ZINC001278049779 1313582929 /nfs/dbraw/zinc/58/29/29/1313582929.db2.gz QUXONMJDEQVSLQ-UHFFFAOYSA-N 1 3 347.551 2.533 20 0 EFADHO Cc1cc(N2CCN(Cc3ccc[nH]c3=O)CC2)c2ccccc2[nH+]1 ZINC001207002622 1313586928 /nfs/dbraw/zinc/58/69/28/1313586928.db2.gz ZLYONTCPWRXBEJ-UHFFFAOYSA-N 1 3 334.423 2.966 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000961829645 1299144855 /nfs/dbraw/zinc/14/48/55/1299144855.db2.gz QJTGIENXIVSMHJ-CTWPCTMYSA-N 1 3 329.488 2.544 20 0 EFADHO CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110616903 1299163810 /nfs/dbraw/zinc/16/38/10/1299163810.db2.gz VGKYPZIXDSBMLM-XDNAFOTISA-N 1 3 341.515 2.968 20 0 EFADHO CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001110616903 1299163812 /nfs/dbraw/zinc/16/38/12/1299163812.db2.gz VGKYPZIXDSBMLM-XDNAFOTISA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001490772820 1299226237 /nfs/dbraw/zinc/22/62/37/1299226237.db2.gz SRXOQGCJARYXHR-KRWDZBQOSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001490772820 1299226239 /nfs/dbraw/zinc/22/62/39/1299226239.db2.gz SRXOQGCJARYXHR-KRWDZBQOSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000961942985 1299260616 /nfs/dbraw/zinc/26/06/16/1299260616.db2.gz FCQQPGZFBFAORY-XWTMOSNGSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000961942985 1299260631 /nfs/dbraw/zinc/26/06/31/1299260631.db2.gz FCQQPGZFBFAORY-XWTMOSNGSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000961948621 1299265777 /nfs/dbraw/zinc/26/57/77/1299265777.db2.gz TXWPHOXDHKRQTO-ZGXWSNOMSA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000961948621 1299265785 /nfs/dbraw/zinc/26/57/85/1299265785.db2.gz TXWPHOXDHKRQTO-ZGXWSNOMSA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000961948677 1299266302 /nfs/dbraw/zinc/26/63/02/1299266302.db2.gz UQZNFODJUQGUST-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000961948677 1299266315 /nfs/dbraw/zinc/26/63/15/1299266315.db2.gz UQZNFODJUQGUST-WCIQWLHISA-N 1 3 347.547 2.876 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(C[C@@H]3C(=O)N3CC=CC3)CC2)CCCC1 ZINC001278074377 1313613647 /nfs/dbraw/zinc/61/36/47/1313613647.db2.gz NOFDGRZTLQQWHC-GOSISDBHSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccn1 ZINC000851945651 1299478474 /nfs/dbraw/zinc/47/84/74/1299478474.db2.gz BKDFIXYEENUYKA-KPFFTGBYSA-N 1 3 325.456 2.615 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](O)c1ccccn1 ZINC000851945651 1299478477 /nfs/dbraw/zinc/47/84/77/1299478477.db2.gz BKDFIXYEENUYKA-KPFFTGBYSA-N 1 3 325.456 2.615 20 0 EFADHO CC1(C)OC[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040677 1299520803 /nfs/dbraw/zinc/52/08/03/1299520803.db2.gz NLSUXXQIOLSVOA-UYAOXDASSA-N 1 3 330.472 2.736 20 0 EFADHO CC1(C)OC[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040677 1299520808 /nfs/dbraw/zinc/52/08/08/1299520808.db2.gz NLSUXXQIOLSVOA-UYAOXDASSA-N 1 3 330.472 2.736 20 0 EFADHO CC1(C)OC[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040676 1299521911 /nfs/dbraw/zinc/52/19/11/1299521911.db2.gz NLSUXXQIOLSVOA-QUCCMNQESA-N 1 3 330.472 2.736 20 0 EFADHO CC1(C)OC[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040676 1299521914 /nfs/dbraw/zinc/52/19/14/1299521914.db2.gz NLSUXXQIOLSVOA-QUCCMNQESA-N 1 3 330.472 2.736 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000962258859 1299524203 /nfs/dbraw/zinc/52/42/03/1299524203.db2.gz BHFGPEPKGSAWKY-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000962258859 1299524211 /nfs/dbraw/zinc/52/42/11/1299524211.db2.gz BHFGPEPKGSAWKY-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109051 1299552678 /nfs/dbraw/zinc/55/26/78/1299552678.db2.gz TZEDOSOWMYPZKS-QFBILLFUSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852109051 1299552685 /nfs/dbraw/zinc/55/26/85/1299552685.db2.gz TZEDOSOWMYPZKS-QFBILLFUSA-N 1 3 337.508 2.661 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000962305995 1299566569 /nfs/dbraw/zinc/56/65/69/1299566569.db2.gz NRCURSJYEKSBSJ-KKXNLOMOSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000962307846 1299570353 /nfs/dbraw/zinc/57/03/53/1299570353.db2.gz XLLLQBFEJPGEML-UHFFFAOYSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC000962312497 1299574564 /nfs/dbraw/zinc/57/45/64/1299574564.db2.gz XAKQQXRFVHWORW-BELGNNRLSA-N 1 3 349.544 2.691 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC000962312499 1299574593 /nfs/dbraw/zinc/57/45/93/1299574593.db2.gz XAKQQXRFVHWORW-IMUUDWKMSA-N 1 3 349.544 2.691 20 0 EFADHO O=C1OCCN1[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000852443358 1299706112 /nfs/dbraw/zinc/70/61/12/1299706112.db2.gz OCYBEZACNLCRAH-LJQANCHMSA-N 1 3 343.471 2.699 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2ccc(C)cc2Cl)CCC12C[NH2+]C2 ZINC001237428825 1313642670 /nfs/dbraw/zinc/64/26/70/1313642670.db2.gz DDSGBLPGDGSUEJ-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2ccc(C)c(Cl)c2)CCC12C[NH2+]C2 ZINC001237429125 1313642891 /nfs/dbraw/zinc/64/28/91/1313642891.db2.gz DFLJUPZEPBHVPQ-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CC[N@H+](C[C@H]1CN(Cc2ccccc2)CCO1)CC(C)(C)CN(C)C ZINC001207283757 1313651807 /nfs/dbraw/zinc/65/18/07/1313651807.db2.gz FCSBDYUBGHRRQZ-FQEVSTJZSA-N 1 3 347.547 2.797 20 0 EFADHO CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCO1)CC(C)(C)CN(C)C ZINC001207283757 1313651811 /nfs/dbraw/zinc/65/18/11/1313651811.db2.gz FCSBDYUBGHRRQZ-FQEVSTJZSA-N 1 3 347.547 2.797 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262631 1313647654 /nfs/dbraw/zinc/64/76/54/1313647654.db2.gz KANDHEASYJJGRR-HGLIYULCSA-N 1 3 341.515 2.849 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262631 1313647656 /nfs/dbraw/zinc/64/76/56/1313647656.db2.gz KANDHEASYJJGRR-HGLIYULCSA-N 1 3 341.515 2.849 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001207262948 1313647862 /nfs/dbraw/zinc/64/78/62/1313647862.db2.gz NEICDXBZWJMVLV-KBAYOESNSA-N 1 3 339.499 2.603 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1C ZINC001207262948 1313647866 /nfs/dbraw/zinc/64/78/66/1313647866.db2.gz NEICDXBZWJMVLV-KBAYOESNSA-N 1 3 339.499 2.603 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001207263175 1313648005 /nfs/dbraw/zinc/64/80/05/1313648005.db2.gz OMQMKWJRUAFVQT-BHIYHBOVSA-N 1 3 349.494 2.611 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001207263175 1313648008 /nfs/dbraw/zinc/64/80/08/1313648008.db2.gz OMQMKWJRUAFVQT-BHIYHBOVSA-N 1 3 349.494 2.611 20 0 EFADHO F[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[C@@H]1N1CCCCC1 ZINC001237457750 1313648438 /nfs/dbraw/zinc/64/84/38/1313648438.db2.gz ZJTBCHFVZMVDLZ-PMACEKPBSA-N 1 3 331.479 2.731 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001207279698 1313650086 /nfs/dbraw/zinc/65/00/86/1313650086.db2.gz IAYDYPDNOCIBGH-UHFFFAOYSA-N 1 3 349.519 2.534 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001207279698 1313650089 /nfs/dbraw/zinc/65/00/89/1313650089.db2.gz IAYDYPDNOCIBGH-UHFFFAOYSA-N 1 3 349.519 2.534 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001207279589 1313650379 /nfs/dbraw/zinc/65/03/79/1313650379.db2.gz LNSDGZIQWFQTFN-UHFFFAOYSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001207281648 1313651261 /nfs/dbraw/zinc/65/12/61/1313651261.db2.gz HCKZKXJIGRITSM-HOTGVXAUSA-N 1 3 336.549 2.627 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001207281648 1313651265 /nfs/dbraw/zinc/65/12/65/1313651265.db2.gz HCKZKXJIGRITSM-HOTGVXAUSA-N 1 3 336.549 2.627 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000962596695 1299853199 /nfs/dbraw/zinc/85/31/99/1299853199.db2.gz ADLCLHJUARMJID-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001207282869 1313651769 /nfs/dbraw/zinc/65/17/69/1313651769.db2.gz XAQLHXOGGRPZLG-FUHWJXTLSA-N 1 3 347.478 2.560 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001207282869 1313651772 /nfs/dbraw/zinc/65/17/72/1313651772.db2.gz XAQLHXOGGRPZLG-FUHWJXTLSA-N 1 3 347.478 2.560 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC000962597284 1299854882 /nfs/dbraw/zinc/85/48/82/1299854882.db2.gz GROJEUYIROVNIM-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000962598654 1299856056 /nfs/dbraw/zinc/85/60/56/1299856056.db2.gz RZNGDSATXZSOIY-UHFFFAOYSA-N 1 3 346.862 2.599 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001207284891 1313652694 /nfs/dbraw/zinc/65/26/94/1313652694.db2.gz SMLSVVDOBRFIMK-UHFFFAOYSA-N 1 3 335.467 2.608 20 0 EFADHO O[C@H](CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097655 1300006729 /nfs/dbraw/zinc/00/67/29/1300006729.db2.gz GSQVJEHMOBDCOY-MAUKXSAKSA-N 1 3 331.485 2.678 20 0 EFADHO O[C@H](CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097655 1300006734 /nfs/dbraw/zinc/00/67/34/1300006734.db2.gz GSQVJEHMOBDCOY-MAUKXSAKSA-N 1 3 331.485 2.678 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962808170 1300085012 /nfs/dbraw/zinc/08/50/12/1300085012.db2.gz JXCLJGVHNOEGFC-CTWPCTMYSA-N 1 3 329.488 2.545 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000963156511 1300377876 /nfs/dbraw/zinc/37/78/76/1300377876.db2.gz HDVQGMSZGQEJCH-CTWPCTMYSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC000963158261 1300379357 /nfs/dbraw/zinc/37/93/57/1300379357.db2.gz WCPZJTDQJQAQSX-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC000963158259 1300379960 /nfs/dbraw/zinc/37/99/60/1300379960.db2.gz WCPZJTDQJQAQSX-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO C[NH+]1CCC(CCN2CC(C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001207487511 1313698362 /nfs/dbraw/zinc/69/83/62/1313698362.db2.gz LOEGZAUOEMICMK-UHFFFAOYSA-N 1 3 325.497 2.565 20 0 EFADHO COc1ccc(CN2CCN(CCC3CC[NH+](C)CC3)CC2)cc1 ZINC001207485606 1313698378 /nfs/dbraw/zinc/69/83/78/1313698378.db2.gz YDBQUQADBMTUKH-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CCC(CC)CN1CCc2cc(C(=O)NC3CC[NH+](C)CC3)[nH]c2C1 ZINC001278140984 1313701699 /nfs/dbraw/zinc/70/16/99/1313701699.db2.gz XYFWWJPRHGNQFC-UHFFFAOYSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018132822 1313703030 /nfs/dbraw/zinc/70/30/30/1313703030.db2.gz OLJQKEYLOHXHIK-KDURUIRLSA-N 1 3 335.536 2.828 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306178 1300554777 /nfs/dbraw/zinc/55/47/77/1300554777.db2.gz MRWONPDNRYDYCH-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306178 1300554781 /nfs/dbraw/zinc/55/47/81/1300554781.db2.gz MRWONPDNRYDYCH-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2CN(CC2CC(C)C2)C3)CC1 ZINC001018133921 1313703834 /nfs/dbraw/zinc/70/38/34/1313703834.db2.gz DRKQGDFLXUAJCI-HCABLIJQSA-N 1 3 347.547 2.828 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)CCC1 ZINC000963313306 1300574741 /nfs/dbraw/zinc/57/47/41/1300574741.db2.gz FXPGRXCUGDTLSG-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)CCC1 ZINC000963313306 1300574744 /nfs/dbraw/zinc/57/47/44/1300574744.db2.gz FXPGRXCUGDTLSG-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314381 1300576296 /nfs/dbraw/zinc/57/62/96/1300576296.db2.gz KLMXPSJYYCAWRO-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314381 1300576300 /nfs/dbraw/zinc/57/63/00/1300576300.db2.gz KLMXPSJYYCAWRO-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314907 1300578609 /nfs/dbraw/zinc/57/86/09/1300578609.db2.gz PXIRTIZICZGCFJ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314907 1300578615 /nfs/dbraw/zinc/57/86/15/1300578615.db2.gz PXIRTIZICZGCFJ-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CCCF)C2)CCC1 ZINC000963315202 1300580543 /nfs/dbraw/zinc/58/05/43/1300580543.db2.gz RIQUTTRCKDDXQU-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+]3CCCF)C2)CCC1 ZINC000963315202 1300580546 /nfs/dbraw/zinc/58/05/46/1300580546.db2.gz RIQUTTRCKDDXQU-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC000963358597 1300680262 /nfs/dbraw/zinc/68/02/62/1300680262.db2.gz VBIMTLPUZQIYRT-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC000963358597 1300680269 /nfs/dbraw/zinc/68/02/69/1300680269.db2.gz VBIMTLPUZQIYRT-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)C1 ZINC000963358598 1300680442 /nfs/dbraw/zinc/68/04/42/1300680442.db2.gz VBIMTLPUZQIYRT-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC3CC3)C2)C1 ZINC000963358598 1300680448 /nfs/dbraw/zinc/68/04/48/1300680448.db2.gz VBIMTLPUZQIYRT-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001110694477 1300760816 /nfs/dbraw/zinc/76/08/16/1300760816.db2.gz DBLIDNFOUKHPHP-YRXWBPOGSA-N 1 3 347.547 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001110694477 1300760823 /nfs/dbraw/zinc/76/08/23/1300760823.db2.gz DBLIDNFOUKHPHP-YRXWBPOGSA-N 1 3 347.547 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001110694772 1300761280 /nfs/dbraw/zinc/76/12/80/1300761280.db2.gz LMKUDDOMIPNSER-BDXSIMOUSA-N 1 3 335.536 2.730 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001110694772 1300761284 /nfs/dbraw/zinc/76/12/84/1300761284.db2.gz LMKUDDOMIPNSER-BDXSIMOUSA-N 1 3 335.536 2.730 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885143 1300805390 /nfs/dbraw/zinc/80/53/90/1300805390.db2.gz ONMISJBCCHSIGZ-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885143 1300805406 /nfs/dbraw/zinc/80/54/06/1300805406.db2.gz ONMISJBCCHSIGZ-OAGGEKHMSA-N 1 3 325.497 2.706 20 0 EFADHO CC[NH+](CC)CCCN1CCN(CCCc2cccc(OC)c2)CC1 ZINC001207568892 1313720490 /nfs/dbraw/zinc/72/04/90/1313720490.db2.gz RHOZKSBZTMQUME-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO c1n[nH]cc1CN1CCC[C@]2(CCC[N@@H+](CCN3CCCCC3)C2)C1 ZINC001278154737 1313720551 /nfs/dbraw/zinc/72/05/51/1313720551.db2.gz VXDFUIXZYYSRLL-FQEVSTJZSA-N 1 3 345.535 2.574 20 0 EFADHO c1n[nH]cc1CN1CCC[C@]2(CCC[N@H+](CCN3CCCCC3)C2)C1 ZINC001278154737 1313720555 /nfs/dbraw/zinc/72/05/55/1313720555.db2.gz VXDFUIXZYYSRLL-FQEVSTJZSA-N 1 3 345.535 2.574 20 0 EFADHO CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1F ZINC001237958875 1313736709 /nfs/dbraw/zinc/73/67/09/1313736709.db2.gz KIWGRVVFUGAWIX-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCC1)N1CCCCC1 ZINC001037009608 1301287664 /nfs/dbraw/zinc/28/76/64/1301287664.db2.gz NNKRHYSLHMEXRE-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000963788947 1301315608 /nfs/dbraw/zinc/31/56/08/1301315608.db2.gz ULQRBLHCEREHAA-QAELIBMJSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000963788945 1301315816 /nfs/dbraw/zinc/31/58/16/1301315816.db2.gz ULJSRHSJCKNLTR-QAELIBMJSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001017267867 1301375320 /nfs/dbraw/zinc/37/53/20/1301375320.db2.gz STQYTQOIZHLETK-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001017267867 1301375331 /nfs/dbraw/zinc/37/53/31/1301375331.db2.gz STQYTQOIZHLETK-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO c1ccn(CCC[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001278188541 1313761910 /nfs/dbraw/zinc/76/19/10/1313761910.db2.gz GRQWSXQQVAWVJW-UHFFFAOYSA-N 1 3 341.503 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001207750285 1313764258 /nfs/dbraw/zinc/76/42/58/1313764258.db2.gz OITHEEBLCBNIHU-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001207750285 1313764262 /nfs/dbraw/zinc/76/42/62/1313764262.db2.gz OITHEEBLCBNIHU-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001207750098 1313764651 /nfs/dbraw/zinc/76/46/51/1313764651.db2.gz LEORGOIENBDZPU-RBSFLKMASA-N 1 3 345.478 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1C ZINC001207750098 1313764653 /nfs/dbraw/zinc/76/46/53/1313764653.db2.gz LEORGOIENBDZPU-RBSFLKMASA-N 1 3 345.478 2.589 20 0 EFADHO CCC[NH2+]C1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000963902598 1301454297 /nfs/dbraw/zinc/45/42/97/1301454297.db2.gz NRTTZCGTZXYIGK-LADRWXRNSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000963912390 1301467369 /nfs/dbraw/zinc/46/73/69/1301467369.db2.gz KWWNSLFPFIJYQL-ZLPCBKJTSA-N 1 3 349.544 2.949 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963954545 1301514681 /nfs/dbraw/zinc/51/46/81/1301514681.db2.gz BZYVEPZZRYNAGI-UHFFFAOYSA-N 1 3 332.473 2.573 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000963955657 1301516375 /nfs/dbraw/zinc/51/63/75/1301516375.db2.gz RKFYVORDXXVDAT-UHFFFAOYSA-N 1 3 340.471 2.820 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000964015749 1301598924 /nfs/dbraw/zinc/59/89/24/1301598924.db2.gz ZGYLGBUMFKCASC-JCYILVPMSA-N 1 3 327.488 2.578 20 0 EFADHO C[C@@H](F)CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789869 1313775151 /nfs/dbraw/zinc/77/51/51/1313775151.db2.gz HDIOIBFERHJRGS-BFYDXBDKSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@@H](F)CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789869 1313775152 /nfs/dbraw/zinc/77/51/52/1313775152.db2.gz HDIOIBFERHJRGS-BFYDXBDKSA-N 1 3 341.515 2.824 20 0 EFADHO COc1cccc([C@H](O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000860138020 1301721375 /nfs/dbraw/zinc/72/13/75/1301721375.db2.gz KPHJJFYVDOHWKR-AZUAARDMSA-N 1 3 332.488 2.925 20 0 EFADHO COc1cccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)c1 ZINC000860138021 1301721538 /nfs/dbraw/zinc/72/15/38/1301721538.db2.gz KPHJJFYVDOHWKR-ICSRJNTNSA-N 1 3 332.488 2.925 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC([NH2+]C/C=C/Cl)CC2)C1 ZINC001202502590 1301732018 /nfs/dbraw/zinc/73/20/18/1301732018.db2.gz FRSVXTKTCRHTDI-AUNFYEFLSA-N 1 3 345.890 2.532 20 0 EFADHO CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018303870 1313802335 /nfs/dbraw/zinc/80/23/35/1313802335.db2.gz CVMIOIUDXFNTEB-HDICACEKSA-N 1 3 329.488 2.837 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1)N1CCCC1 ZINC001037057324 1302077225 /nfs/dbraw/zinc/07/72/25/1302077225.db2.gz UBTMMZXJKQUDAZ-IAGOWNOFSA-N 1 3 349.544 2.997 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000861631521 1302175393 /nfs/dbraw/zinc/17/53/93/1302175393.db2.gz AIKYKFVAFKUWTK-CJNGLKHVSA-N 1 3 340.899 2.712 20 0 EFADHO CC(C)Oc1cc(CN2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1F ZINC001238456331 1313823547 /nfs/dbraw/zinc/82/35/47/1313823547.db2.gz NHEDOHGUWUSTLX-RBUKOAKNSA-N 1 3 349.494 2.823 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](CCCC1CCCC1)CC2 ZINC001208088763 1313844708 /nfs/dbraw/zinc/84/47/08/1313844708.db2.gz PAJGHLKBHMFVQN-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](CCCC1CCCC1)CC2 ZINC001208088763 1313844711 /nfs/dbraw/zinc/84/47/11/1313844711.db2.gz PAJGHLKBHMFVQN-UHFFFAOYSA-N 1 3 345.531 2.781 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C3)c1 ZINC001097100731 1313852539 /nfs/dbraw/zinc/85/25/39/1313852539.db2.gz YFJSRVZNNBHQHE-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C3)c1 ZINC001097100731 1313852541 /nfs/dbraw/zinc/85/25/41/1313852541.db2.gz YFJSRVZNNBHQHE-RUGGUXRKSA-N 1 3 341.499 2.557 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(C[C@@H]1CCC(C)=C[C@@H]1C)CC2 ZINC001208161765 1313858333 /nfs/dbraw/zinc/85/83/33/1313858333.db2.gz OBRRSRZKLAFDNR-ROUUACIJSA-N 1 3 333.520 2.655 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(C[C@@H]1CCC(C)=C[C@@H]1C)CC2 ZINC001208161765 1313858335 /nfs/dbraw/zinc/85/83/35/1313858335.db2.gz OBRRSRZKLAFDNR-ROUUACIJSA-N 1 3 333.520 2.655 20 0 EFADHO c1nn2c(c1-c1ccc(OCCC[NH+]3CCCCC3)cc1)CNCC2 ZINC000863680576 1302685002 /nfs/dbraw/zinc/68/50/02/1302685002.db2.gz CMAZUYJSMGBEHL-UHFFFAOYSA-N 1 3 340.471 2.908 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CCCC1 ZINC001208185768 1313864929 /nfs/dbraw/zinc/86/49/29/1313864929.db2.gz QDVXXTPOHQCKST-VQTJNVASSA-N 1 3 342.531 2.852 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H]3[C@H]2CCN3Cc2cccnc2)CCCC1 ZINC001208185768 1313864932 /nfs/dbraw/zinc/86/49/32/1313864932.db2.gz QDVXXTPOHQCKST-VQTJNVASSA-N 1 3 342.531 2.852 20 0 EFADHO CN(C)CC1(C[NH+]2CCC3(CC2)OC(=O)c2ncccc23)CCCC1 ZINC001208187930 1313865161 /nfs/dbraw/zinc/86/51/61/1313865161.db2.gz PPNFYRATCRVUJL-UHFFFAOYSA-N 1 3 343.471 2.665 20 0 EFADHO Cc1nccnc1O[C@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188755 1313865619 /nfs/dbraw/zinc/86/56/19/1313865619.db2.gz NIWRHOCCVUDFKV-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1nccnc1O[C@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188755 1313865623 /nfs/dbraw/zinc/86/56/23/1313865623.db2.gz NIWRHOCCVUDFKV-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO COc1cc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)ccn1 ZINC001208189227 1313865857 /nfs/dbraw/zinc/86/58/57/1313865857.db2.gz SECWSLXKEKRQTK-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)ccn1 ZINC001208189227 1313865860 /nfs/dbraw/zinc/86/58/60/1313865860.db2.gz SECWSLXKEKRQTK-QGZVFWFLSA-N 1 3 333.476 2.665 20 0 EFADHO CCC[NH2+]C1CC2(CC(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000965063703 1302785416 /nfs/dbraw/zinc/78/54/16/1302785416.db2.gz LKHZZCPLRUKYJH-BCOZGUIHSA-N 1 3 339.499 2.626 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1)C2 ZINC000965065485 1302788551 /nfs/dbraw/zinc/78/85/51/1302788551.db2.gz XTVYUTPORATDAR-GICSWVMSSA-N 1 3 341.499 2.688 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114369100 1302879415 /nfs/dbraw/zinc/87/94/15/1302879415.db2.gz ZVQYCBWLMQZSJE-XWTMOSNGSA-N 1 3 335.536 2.734 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114369100 1302879427 /nfs/dbraw/zinc/87/94/27/1302879427.db2.gz ZVQYCBWLMQZSJE-XWTMOSNGSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119989677 1302879539 /nfs/dbraw/zinc/87/95/39/1302879539.db2.gz WDSHZMAKSBZCEM-MJGOQNOKSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000119989677 1302879547 /nfs/dbraw/zinc/87/95/47/1302879547.db2.gz WDSHZMAKSBZCEM-MJGOQNOKSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001208261832 1313884054 /nfs/dbraw/zinc/88/40/54/1313884054.db2.gz SNVWJSPALMQTAW-HZPDHXFCSA-N 1 3 341.496 2.509 20 0 EFADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000965347136 1303144600 /nfs/dbraw/zinc/14/46/00/1303144600.db2.gz KQQDJZJAJDWSJJ-QAELIBMJSA-N 1 3 335.536 2.922 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)CCC1 ZINC001208328771 1313900741 /nfs/dbraw/zinc/90/07/41/1313900741.db2.gz HUMFGMMAFRFISS-PVABEOQZSA-N 1 3 341.499 2.765 20 0 EFADHO CCCn1cc(CNCC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000865437725 1303256933 /nfs/dbraw/zinc/25/69/33/1303256933.db2.gz DBJFUFYEKQLDJD-UHFFFAOYSA-N 1 3 333.505 2.751 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1)C1CCC1 ZINC001208339454 1313904438 /nfs/dbraw/zinc/90/44/38/1313904438.db2.gz ADQPEEVIZMHLLU-QGZVFWFLSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)C1CC1 ZINC001208335745 1313903185 /nfs/dbraw/zinc/90/31/85/1313903185.db2.gz ZYBVPJOJUWEZPB-UPBJVAEDSA-N 1 3 341.499 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)C1CCC1 ZINC001208338397 1313903881 /nfs/dbraw/zinc/90/38/81/1313903881.db2.gz XZDZEGZHYSRMCJ-IUYMFKLXSA-N 1 3 341.499 2.765 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](C[NH2+][C@@H]2CCN(C)C(C)(C)C2)C1 ZINC000865759791 1303388378 /nfs/dbraw/zinc/38/83/78/1303388378.db2.gz RHVIZJSWZRSIIF-WOJBJXKFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000865759791 1303388385 /nfs/dbraw/zinc/38/83/85/1303388385.db2.gz RHVIZJSWZRSIIF-WOJBJXKFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000865759791 1303388391 /nfs/dbraw/zinc/38/83/91/1303388391.db2.gz RHVIZJSWZRSIIF-WOJBJXKFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000865801345 1303406569 /nfs/dbraw/zinc/40/65/69/1303406569.db2.gz VUEYUMIVLIKBAX-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000865801345 1303406571 /nfs/dbraw/zinc/40/65/71/1303406571.db2.gz VUEYUMIVLIKBAX-UXHICEINSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cc(C)c(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239216702 1313915218 /nfs/dbraw/zinc/91/52/18/1313915218.db2.gz OWTDZJIHGATSAC-MRXNPFEDSA-N 1 3 330.476 2.608 20 0 EFADHO CC(C)[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000965932891 1303466759 /nfs/dbraw/zinc/46/67/59/1303466759.db2.gz CIUFZBHJWDOBKB-UHFFFAOYSA-N 1 3 329.488 2.787 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000965933051 1303466815 /nfs/dbraw/zinc/46/68/15/1303466815.db2.gz KMYHRRCQIKKRML-WLGSGIEKSA-N 1 3 347.547 2.924 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965933143 1303466886 /nfs/dbraw/zinc/46/68/86/1303466886.db2.gz PIHRDFIGRZPEML-QAELIBMJSA-N 1 3 333.520 2.678 20 0 EFADHO CN(CCC[NH3+])CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001239232007 1313917814 /nfs/dbraw/zinc/91/78/14/1313917814.db2.gz ZKVQSELFDRULDZ-UHFFFAOYSA-N 1 3 333.263 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001208373769 1313913902 /nfs/dbraw/zinc/91/39/02/1313913902.db2.gz PERZVLHIMKFPPJ-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001208373768 1313914122 /nfs/dbraw/zinc/91/41/22/1313914122.db2.gz PERZVLHIMKFPPJ-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001097218291 1313914228 /nfs/dbraw/zinc/91/42/28/1313914228.db2.gz CPBRGLCVMRETGC-AKHDSKFASA-N 1 3 331.504 2.525 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@H]1CCCN1C1CCCC1 ZINC001097218291 1313914231 /nfs/dbraw/zinc/91/42/31/1313914231.db2.gz CPBRGLCVMRETGC-AKHDSKFASA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001208413739 1313923529 /nfs/dbraw/zinc/92/35/29/1313923529.db2.gz AJUYXQIOQBXCJT-UONOGXRCSA-N 1 3 337.430 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001208414658 1313923753 /nfs/dbraw/zinc/92/37/53/1313923753.db2.gz UVNMKIGEIIOJAX-VQTJNVASSA-N 1 3 345.531 2.848 20 0 EFADHO CN(C)CCN(C(=O)Nc1cccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC001239307744 1313923774 /nfs/dbraw/zinc/92/37/74/1313923774.db2.gz HSTMJWXVWBMWIN-KRWDZBQOSA-N 1 3 340.471 2.987 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001208414595 1313923938 /nfs/dbraw/zinc/92/39/38/1313923938.db2.gz TWWBIWQZYQHIPD-RTBURBONSA-N 1 3 349.494 2.679 20 0 EFADHO CCCC[C@H](CC)COC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001239340035 1313926915 /nfs/dbraw/zinc/92/69/15/1313926915.db2.gz IQFWVSBPBMJMHG-IRXDYDNUSA-N 1 3 327.513 2.955 20 0 EFADHO Cc1cc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001208427564 1313927303 /nfs/dbraw/zinc/92/73/03/1313927303.db2.gz CPWYBGBDKCPQFK-CXAGYDPISA-N 1 3 349.544 2.643 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001208446939 1313930270 /nfs/dbraw/zinc/93/02/70/1313930270.db2.gz DIZUNVRCUZLJLZ-HUUCEWRRSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001208447054 1313930433 /nfs/dbraw/zinc/93/04/33/1313930433.db2.gz GQAASYQXCDMJHJ-QGZVFWFLSA-N 1 3 335.467 2.637 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447304 1313930484 /nfs/dbraw/zinc/93/04/84/1313930484.db2.gz CHIJTBOKUPUBAP-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001208446785 1313930563 /nfs/dbraw/zinc/93/05/63/1313930563.db2.gz BSQZAUCAMWGQEA-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001208447581 1313930999 /nfs/dbraw/zinc/93/09/99/1313930999.db2.gz NZCINGSRSFRYRZ-HNNXBMFYSA-N 1 3 337.533 2.602 20 0 EFADHO CCCCc1ccc(NC(=S)NCCCN(C)CCC[NH3+])cc1 ZINC001239374993 1313931130 /nfs/dbraw/zinc/93/11/30/1313931130.db2.gz CSDZBBPNDRCMHX-UHFFFAOYSA-N 1 3 336.549 2.986 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001037852500 1303704884 /nfs/dbraw/zinc/70/48/84/1303704884.db2.gz MEMZFQQHJKETPB-SJORKVTESA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001037852499 1303705027 /nfs/dbraw/zinc/70/50/27/1303705027.db2.gz MEMZFQQHJKETPB-IRXDYDNUSA-N 1 3 349.544 2.949 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001239396695 1313932539 /nfs/dbraw/zinc/93/25/39/1313932539.db2.gz MDUVPBRKTPOZIM-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1cccc(Cl)c1Cl ZINC001239396940 1313932913 /nfs/dbraw/zinc/93/29/13/1313932913.db2.gz RJCRMEBUXPIVSU-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001208453811 1313933417 /nfs/dbraw/zinc/93/34/17/1313933417.db2.gz OTYFMLGLIVQUPW-IBGZPJMESA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001037856167 1303729825 /nfs/dbraw/zinc/72/98/25/1303729825.db2.gz YOVHXNORSMWVJO-RBUKOAKNSA-N 1 3 343.515 2.888 20 0 EFADHO COc1ccccc1-c1nc(CN2CCC3(C2)CC[NH2+]CC3)co1 ZINC000866660772 1303736461 /nfs/dbraw/zinc/73/64/61/1303736461.db2.gz LHTJDTGQXIYMIR-UHFFFAOYSA-N 1 3 327.428 2.926 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114403806 1303871623 /nfs/dbraw/zinc/87/16/23/1303871623.db2.gz YHYNWMVNEIGUBF-HCXYKTFWSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114403806 1303871626 /nfs/dbraw/zinc/87/16/26/1303871626.db2.gz YHYNWMVNEIGUBF-HCXYKTFWSA-N 1 3 341.499 2.668 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(N(C)C)CCC2)c1 ZINC001114406367 1303889620 /nfs/dbraw/zinc/88/96/20/1303889620.db2.gz AUGIAVANVDJQMM-GDAAHCPNSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(N(C)C)CCC2)c1 ZINC001114406367 1303889627 /nfs/dbraw/zinc/88/96/27/1303889627.db2.gz AUGIAVANVDJQMM-GDAAHCPNSA-N 1 3 341.499 2.587 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)C1CC1 ZINC001114409171 1304090296 /nfs/dbraw/zinc/09/02/96/1304090296.db2.gz HNHWFNWOBWAFLE-NMLBUPMWSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)C1CC1 ZINC001114409171 1304090300 /nfs/dbraw/zinc/09/03/00/1304090300.db2.gz HNHWFNWOBWAFLE-NMLBUPMWSA-N 1 3 347.547 2.734 20 0 EFADHO C[NH+](C)C1(C)CCC(NC(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000868168558 1304167390 /nfs/dbraw/zinc/16/73/90/1304167390.db2.gz QVSMWSQIJXXZJY-UHFFFAOYSA-N 1 3 346.475 2.553 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000868169277 1304168623 /nfs/dbraw/zinc/16/86/23/1304168623.db2.gz YEBWZPVXYCILQR-UHFFFAOYSA-N 1 3 330.476 2.922 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(CC)CC ZINC001208574594 1313965734 /nfs/dbraw/zinc/96/57/34/1313965734.db2.gz BEFJITNPXHKBMS-BRWVUGGUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(CC)CC ZINC001208574594 1313965735 /nfs/dbraw/zinc/96/57/35/1313965735.db2.gz BEFJITNPXHKBMS-BRWVUGGUSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1nc(C)c(C[NH+]2CCC3(CN(Cc4scnc4C)C3)CC2)[nH]1 ZINC001276570411 1313972654 /nfs/dbraw/zinc/97/26/54/1313972654.db2.gz OSSFLDFHNDKNPB-UHFFFAOYSA-N 1 3 345.516 2.889 20 0 EFADHO CC[NH+]1CCC(CN2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001208598022 1313972790 /nfs/dbraw/zinc/97/27/90/1313972790.db2.gz QFAIWCYXBOCAMA-CYBMUJFWSA-N 1 3 346.397 3.000 20 0 EFADHO CC[NH+]1CCC(CN2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208598885 1313973179 /nfs/dbraw/zinc/97/31/79/1313973179.db2.gz ZSCKNEIEXGWFJQ-HZPDHXFCSA-N 1 3 343.487 2.655 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001208608228 1313977765 /nfs/dbraw/zinc/97/77/65/1313977765.db2.gz PAUQDHCGYLQTSH-MRXNPFEDSA-N 1 3 342.487 2.840 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC(N3Cc4ccccc4NC3=O)CC2)C1 ZINC001208608228 1313977768 /nfs/dbraw/zinc/97/77/68/1313977768.db2.gz PAUQDHCGYLQTSH-MRXNPFEDSA-N 1 3 342.487 2.840 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)C1 ZINC001208609233 1313978208 /nfs/dbraw/zinc/97/82/08/1313978208.db2.gz ZOLHASRIIYHPJA-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@H](CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)C1 ZINC001208609233 1313978209 /nfs/dbraw/zinc/97/82/09/1313978209.db2.gz ZOLHASRIIYHPJA-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)C1 ZINC001208614061 1313979573 /nfs/dbraw/zinc/97/95/73/1313979573.db2.gz QTBFEAWXABOALM-QXAKKESOSA-N 1 3 327.472 2.598 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)C1 ZINC001208614061 1313979577 /nfs/dbraw/zinc/97/95/77/1313979577.db2.gz QTBFEAWXABOALM-QXAKKESOSA-N 1 3 327.472 2.598 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C[C@H]4CCC[N@@H+](C)C4)C3)CC2=O)s1 ZINC001208612018 1313979725 /nfs/dbraw/zinc/97/97/25/1313979725.db2.gz DSFUASHQRWTCOQ-QFBILLFUSA-N 1 3 347.528 2.827 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C[C@H]4CCC[N@H+](C)C4)C3)CC2=O)s1 ZINC001208612018 1313979728 /nfs/dbraw/zinc/97/97/28/1313979728.db2.gz DSFUASHQRWTCOQ-QFBILLFUSA-N 1 3 347.528 2.827 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC3(CCCN3C(=O)c3ccco3)CC2)C1 ZINC001208611793 1313979812 /nfs/dbraw/zinc/97/98/12/1313979812.db2.gz YABKLBPHSDZTPO-KRWDZBQOSA-N 1 3 345.487 2.692 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC3(CCCN3C(=O)c3ccco3)CC2)C1 ZINC001208611793 1313979814 /nfs/dbraw/zinc/97/98/14/1313979814.db2.gz YABKLBPHSDZTPO-KRWDZBQOSA-N 1 3 345.487 2.692 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001202526229 1304369019 /nfs/dbraw/zinc/36/90/19/1304369019.db2.gz AZUYQWQILGYYIM-UHFFFAOYSA-N 1 3 348.318 2.618 20 0 EFADHO CCN(C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612062 1313980376 /nfs/dbraw/zinc/98/03/76/1313980376.db2.gz AKFCHTGXALTQAE-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CCN(C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001208612062 1313980377 /nfs/dbraw/zinc/98/03/77/1313980377.db2.gz AKFCHTGXALTQAE-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001208615936 1313981007 /nfs/dbraw/zinc/98/10/07/1313981007.db2.gz IZFPXLCQOVFTLB-FQEVSTJZSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001208615936 1313981010 /nfs/dbraw/zinc/98/10/10/1313981010.db2.gz IZFPXLCQOVFTLB-FQEVSTJZSA-N 1 3 327.516 2.926 20 0 EFADHO CN(C[C@H]1CCCN1C[C@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC001208618850 1313981643 /nfs/dbraw/zinc/98/16/43/1313981643.db2.gz UCIYNQJBGWWUII-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCCN1C[C@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC001208618850 1313981647 /nfs/dbraw/zinc/98/16/47/1313981647.db2.gz UCIYNQJBGWWUII-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCCN1C[C@@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC001208618849 1313982158 /nfs/dbraw/zinc/98/21/58/1313982158.db2.gz UCIYNQJBGWWUII-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCCN1C[C@@H]1CCC[N@@H+](C)C1)C(=O)OC(C)(C)C ZINC001208618849 1313982160 /nfs/dbraw/zinc/98/21/60/1313982160.db2.gz UCIYNQJBGWWUII-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001208617378 1313982173 /nfs/dbraw/zinc/98/21/73/1313982173.db2.gz NAAOWYMYZLRYIJ-MRXNPFEDSA-N 1 3 330.476 2.614 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC(NC(=O)Nc3ccccc3)CC2)C1 ZINC001208617378 1313982176 /nfs/dbraw/zinc/98/21/76/1313982176.db2.gz NAAOWYMYZLRYIJ-MRXNPFEDSA-N 1 3 330.476 2.614 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208618669 1313982423 /nfs/dbraw/zinc/98/24/23/1313982423.db2.gz RAVRKGXJGJOTSP-QGZVFWFLSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN(C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208618669 1313982426 /nfs/dbraw/zinc/98/24/26/1313982426.db2.gz RAVRKGXJGJOTSP-QGZVFWFLSA-N 1 3 329.488 2.565 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903184 1304416961 /nfs/dbraw/zinc/41/69/61/1304416961.db2.gz CGTHPHOXXXRNQB-ROUUACIJSA-N 1 3 333.520 2.655 20 0 EFADHO CCN(C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001208619179 1313982872 /nfs/dbraw/zinc/98/28/72/1313982872.db2.gz WGYOKJARFWILGE-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO CCN(C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001208619179 1313982873 /nfs/dbraw/zinc/98/28/73/1313982873.db2.gz WGYOKJARFWILGE-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3ncc(C)cc3C)(C1)CCC2 ZINC001278306735 1313983095 /nfs/dbraw/zinc/98/30/95/1313983095.db2.gz PIGNHTCHECMYDQ-UXHICEINSA-N 1 3 347.503 2.844 20 0 EFADHO COC(=O)[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001208719423 1314001772 /nfs/dbraw/zinc/00/17/72/1314001772.db2.gz RLYZQTCLPVMLDF-QZHFEQFPSA-N 1 3 330.472 2.906 20 0 EFADHO COC(=O)[C@@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 ZINC001208719423 1314001775 /nfs/dbraw/zinc/00/17/75/1314001775.db2.gz RLYZQTCLPVMLDF-QZHFEQFPSA-N 1 3 330.472 2.906 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114442459 1304694310 /nfs/dbraw/zinc/69/43/10/1304694310.db2.gz HTRWGZDXDRMGGL-MANSERQUSA-N 1 3 333.520 2.510 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001114442459 1304694314 /nfs/dbraw/zinc/69/43/14/1304694314.db2.gz HTRWGZDXDRMGGL-MANSERQUSA-N 1 3 333.520 2.510 20 0 EFADHO CNC(=O)C[N@@H+]1CCCC12CCN(CCc1ccc(Cl)cc1)CC2 ZINC001208739937 1314006480 /nfs/dbraw/zinc/00/64/80/1314006480.db2.gz DEPAULVUUHDKRF-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO CNC(=O)C[N@H+]1CCCC12CCN(CCc1ccc(Cl)cc1)CC2 ZINC001208739937 1314006484 /nfs/dbraw/zinc/00/64/84/1314006484.db2.gz DEPAULVUUHDKRF-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967205513 1304749254 /nfs/dbraw/zinc/74/92/54/1304749254.db2.gz KWTRFYPLKDAOEU-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967205513 1304749257 /nfs/dbraw/zinc/74/92/57/1304749257.db2.gz KWTRFYPLKDAOEU-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967206936 1304750037 /nfs/dbraw/zinc/75/00/37/1304750037.db2.gz PRPKKBVFXCDIAJ-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967206936 1304750042 /nfs/dbraw/zinc/75/00/42/1304750042.db2.gz PRPKKBVFXCDIAJ-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967210197 1304751003 /nfs/dbraw/zinc/75/10/03/1304751003.db2.gz VWFNFDLEALFHIP-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967210197 1304751008 /nfs/dbraw/zinc/75/10/08/1304751008.db2.gz VWFNFDLEALFHIP-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967210189 1304751492 /nfs/dbraw/zinc/75/14/92/1304751492.db2.gz VWFNFDLEALFHIP-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967210189 1304751497 /nfs/dbraw/zinc/75/14/97/1304751497.db2.gz VWFNFDLEALFHIP-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770215 1314011928 /nfs/dbraw/zinc/01/19/28/1314011928.db2.gz QIVBMYJTETZANS-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037930767 1304863274 /nfs/dbraw/zinc/86/32/74/1304863274.db2.gz YYENOJCVPIMVFD-ZWKOTPCHSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001037933103 1304891158 /nfs/dbraw/zinc/89/11/58/1304891158.db2.gz KXORYKKEHGRQPR-CRAIPNDOSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H](CCC(=O)OC)C[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001208799067 1314019218 /nfs/dbraw/zinc/01/92/18/1314019218.db2.gz XMWABHXPXLAQJM-AEFFLSMTSA-N 1 3 340.508 2.541 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001037935810 1304947092 /nfs/dbraw/zinc/94/70/92/1304947092.db2.gz SHYSGNKBFQHUPB-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001037935160 1304974046 /nfs/dbraw/zinc/97/40/46/1304974046.db2.gz PSEYERLVDKQYGX-PKOBYXMFSA-N 1 3 340.471 2.678 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000967423684 1304975395 /nfs/dbraw/zinc/97/53/95/1304975395.db2.gz ICTXREZEODYNJU-LPHOPBHVSA-N 1 3 349.494 2.591 20 0 EFADHO C[C@@H]1CN(c2ccc(C3=CCCN(Cc4ccccc4)C3)nn2)CC[NH2+]1 ZINC001240386033 1314026476 /nfs/dbraw/zinc/02/64/76/1314026476.db2.gz WWKHYMLHOGUXAI-QGZVFWFLSA-N 1 3 349.482 2.564 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376962 1314488325 /nfs/dbraw/zinc/48/83/25/1314488325.db2.gz QNZSFPAIVMAILU-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001097405236 1314037377 /nfs/dbraw/zinc/03/73/77/1314037377.db2.gz KFRCNGJLKHIVDC-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001097405236 1314037381 /nfs/dbraw/zinc/03/73/81/1314037381.db2.gz KFRCNGJLKHIVDC-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1 ZINC001097405232 1314037409 /nfs/dbraw/zinc/03/74/09/1314037409.db2.gz KFRCNGJLKHIVDC-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001097405232 1314037412 /nfs/dbraw/zinc/03/74/12/1314037412.db2.gz KFRCNGJLKHIVDC-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1 ZINC001097406038 1314038476 /nfs/dbraw/zinc/03/84/76/1314038476.db2.gz USCQCPGREBUMEH-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001097406038 1314038478 /nfs/dbraw/zinc/03/84/78/1314038478.db2.gz USCQCPGREBUMEH-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000870259619 1305229634 /nfs/dbraw/zinc/22/96/34/1305229634.db2.gz URQSXAGNTJGZTG-LJQANCHMSA-N 1 3 339.499 2.676 20 0 EFADHO CCC(=O)NC1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208937571 1314052174 /nfs/dbraw/zinc/05/21/74/1314052174.db2.gz UNTPVQBZBCPOCL-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CCC(=O)NC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208937571 1314052177 /nfs/dbraw/zinc/05/21/77/1314052177.db2.gz UNTPVQBZBCPOCL-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO COC(=O)C[C@H]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943008 1314054139 /nfs/dbraw/zinc/05/41/39/1314054139.db2.gz LBWFYIWQOPRYJP-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)C[C@H]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943008 1314054142 /nfs/dbraw/zinc/05/41/42/1314054142.db2.gz LBWFYIWQOPRYJP-MOPGFXCFSA-N 1 3 330.472 2.784 20 0 EFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943475 1314054160 /nfs/dbraw/zinc/05/41/60/1314054160.db2.gz HVRNGHNUADSDEQ-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943475 1314054162 /nfs/dbraw/zinc/05/41/62/1314054162.db2.gz HVRNGHNUADSDEQ-CTNGQTDRSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943479 1314053600 /nfs/dbraw/zinc/05/36/00/1314053600.db2.gz HVRNGHNUADSDEQ-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@@]2(CC1=O)CCCCN2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943479 1314053603 /nfs/dbraw/zinc/05/36/03/1314053603.db2.gz HVRNGHNUADSDEQ-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943482 1314053751 /nfs/dbraw/zinc/05/37/51/1314053751.db2.gz HVRNGHNUADSDEQ-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943482 1314053753 /nfs/dbraw/zinc/05/37/53/1314053753.db2.gz HVRNGHNUADSDEQ-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO COC(=O)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001208944914 1314054563 /nfs/dbraw/zinc/05/45/63/1314054563.db2.gz PLOGWLNYJUSVQC-SFHVURJKSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001208944914 1314054564 /nfs/dbraw/zinc/05/45/64/1314054564.db2.gz PLOGWLNYJUSVQC-SFHVURJKSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC001208944911 1314054761 /nfs/dbraw/zinc/05/47/61/1314054761.db2.gz PLOGWLNYJUSVQC-GOSISDBHSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC001208944911 1314054765 /nfs/dbraw/zinc/05/47/65/1314054765.db2.gz PLOGWLNYJUSVQC-GOSISDBHSA-N 1 3 330.472 2.926 20 0 EFADHO FC1(F)CN(C2CCN(C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208952796 1314056188 /nfs/dbraw/zinc/05/61/88/1314056188.db2.gz LVOVSZVQICTXPL-GOSISDBHSA-N 1 3 349.469 2.924 20 0 EFADHO FC1(F)CN(C2CCN(C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC001208952796 1314056192 /nfs/dbraw/zinc/05/61/92/1314056192.db2.gz LVOVSZVQICTXPL-GOSISDBHSA-N 1 3 349.469 2.924 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965295 1314060310 /nfs/dbraw/zinc/06/03/10/1314060310.db2.gz YFQBQIOZUIVTNX-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965295 1314060311 /nfs/dbraw/zinc/06/03/11/1314060311.db2.gz YFQBQIOZUIVTNX-RBUKOAKNSA-N 1 3 330.472 2.784 20 0 EFADHO CCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037983121 1305589925 /nfs/dbraw/zinc/58/99/25/1305589925.db2.gz LRVUKZWYBPKFGG-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000967925724 1305607500 /nfs/dbraw/zinc/60/75/00/1305607500.db2.gz QOHKTAYABYEGDH-QUCCMNQESA-N 1 3 337.467 2.625 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870907992 1305673365 /nfs/dbraw/zinc/67/33/65/1305673365.db2.gz CNBORLAQTHXJPK-WOVMCDHWSA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CC[NH2+]CC1CC1 ZINC000870908760 1305674110 /nfs/dbraw/zinc/67/41/10/1305674110.db2.gz XJLZRZVTPQHYGX-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)c2)CC1 ZINC000870911141 1305677923 /nfs/dbraw/zinc/67/79/23/1305677923.db2.gz FUUKXDKKGPBGOJ-QAQDUYKDSA-N 1 3 344.503 2.673 20 0 EFADHO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000870918139 1305681961 /nfs/dbraw/zinc/68/19/61/1305681961.db2.gz DUGARFHTNJZEFE-CEXWTWQISA-N 1 3 329.488 2.847 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN(CCC)C[C@H]1CC[NH2+]C1 ZINC001246065243 1314578437 /nfs/dbraw/zinc/57/84/37/1314578437.db2.gz IEKQDEXECCADAK-GBESFXJTSA-N 1 3 328.541 2.902 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968148499 1305910290 /nfs/dbraw/zinc/91/02/90/1305910290.db2.gz AVHCWVJMIAHJMP-XLIONFOSSA-N 1 3 343.515 2.663 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001017143103 1305992051 /nfs/dbraw/zinc/99/20/51/1305992051.db2.gz SIJPFVDSBBZLOI-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001017143103 1305992058 /nfs/dbraw/zinc/99/20/58/1305992058.db2.gz SIJPFVDSBBZLOI-INIZCTEOSA-N 1 3 349.544 2.903 20 0 EFADHO Cc1noc(C)c1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276620806 1314103099 /nfs/dbraw/zinc/10/30/99/1314103099.db2.gz MMDYYNWKELQMCO-UHFFFAOYSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1noc(C)c1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276620806 1314103101 /nfs/dbraw/zinc/10/31/01/1314103101.db2.gz MMDYYNWKELQMCO-UHFFFAOYSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001095963128 1306120829 /nfs/dbraw/zinc/12/08/29/1306120829.db2.gz WGKTUDFLKHZYEG-AABGKKOBSA-N 1 3 341.499 2.558 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000968326596 1306135083 /nfs/dbraw/zinc/13/50/83/1306135083.db2.gz GWTXPLAPWDMYTC-QFBILLFUSA-N 1 3 349.494 2.591 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000968326595 1306135104 /nfs/dbraw/zinc/13/51/04/1306135104.db2.gz GWTXPLAPWDMYTC-LPHOPBHVSA-N 1 3 349.494 2.591 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001018962916 1314112896 /nfs/dbraw/zinc/11/28/96/1314112896.db2.gz QCKQXYVEILAJEP-PBHICJAKSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CC1 ZINC001018966790 1314114078 /nfs/dbraw/zinc/11/40/78/1314114078.db2.gz SPANECHCBPXPKO-ICSRJNTNSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001018966605 1314114181 /nfs/dbraw/zinc/11/41/81/1314114181.db2.gz NNABEWVWRLCOHU-AZUAARDMSA-N 1 3 343.515 2.643 20 0 EFADHO Cc1cncc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001276624409 1314117056 /nfs/dbraw/zinc/11/70/56/1314117056.db2.gz WZXYNCCKCLUJBF-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cncc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c1 ZINC001276624409 1314117059 /nfs/dbraw/zinc/11/70/59/1314117059.db2.gz WZXYNCCKCLUJBF-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971531 1314117386 /nfs/dbraw/zinc/11/73/86/1314117386.db2.gz FKKAEJBTDUICBL-SFHVURJKSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971498 1314117441 /nfs/dbraw/zinc/11/74/41/1314117441.db2.gz CZUZWZZIRXLEFP-KRWDZBQOSA-N 1 3 349.906 2.823 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001018971696 1314117470 /nfs/dbraw/zinc/11/74/70/1314117470.db2.gz OLWRLHLKEPNYAG-INIZCTEOSA-N 1 3 335.879 2.515 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001018971507 1314117503 /nfs/dbraw/zinc/11/75/03/1314117503.db2.gz DIQRACCLOYLCHB-FXAWDEMLSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001018971597 1314117583 /nfs/dbraw/zinc/11/75/83/1314117583.db2.gz JTEPJIALMYQWKH-AEFFLSMTSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001018971821 1314117613 /nfs/dbraw/zinc/11/76/13/1314117613.db2.gz VOXVXYOYXFYXJQ-INIZCTEOSA-N 1 3 335.517 2.540 20 0 EFADHO CN(C)C(=O)C1CCN(C2CC[NH+](CCc3cccs3)CC2)CC1 ZINC001209226315 1314120448 /nfs/dbraw/zinc/12/04/48/1314120448.db2.gz ZMHWUCZCJMQROB-UHFFFAOYSA-N 1 3 349.544 2.555 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@H]2CN(Cc3ccsc3)CC[C@H]2C)CC1 ZINC000968459537 1306349718 /nfs/dbraw/zinc/34/97/18/1306349718.db2.gz MHBFPJCKSBPRIA-AEFFLSMTSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493495 1306396738 /nfs/dbraw/zinc/39/67/38/1306396738.db2.gz SGFJKKSAOAYRAV-IEBWSBKVSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517913 1306424668 /nfs/dbraw/zinc/42/46/68/1306424668.db2.gz VEKBULJBMCPVHI-YLJYHZDGSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC001018999589 1314126698 /nfs/dbraw/zinc/12/66/98/1314126698.db2.gz YJGDYXMKACTQKL-PMPSAXMXSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]1CN(c2ccc(C3=CCN(Cc4ccccc4)CC3)nn2)CC[NH2+]1 ZINC001241501791 1314126838 /nfs/dbraw/zinc/12/68/38/1314126838.db2.gz DIOGYQQVWGQBDP-QGZVFWFLSA-N 1 3 349.482 2.564 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001019000722 1314127326 /nfs/dbraw/zinc/12/73/26/1314127326.db2.gz LJJOZAUHSIZYNQ-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921045 1306487909 /nfs/dbraw/zinc/48/79/09/1306487909.db2.gz FWVPSRKDHZXLMP-BZZQPVCHSA-N 1 3 333.520 2.652 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921045 1306487914 /nfs/dbraw/zinc/48/79/14/1306487914.db2.gz FWVPSRKDHZXLMP-BZZQPVCHSA-N 1 3 333.520 2.652 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCCC2)C1 ZINC000968654972 1306540156 /nfs/dbraw/zinc/54/01/56/1306540156.db2.gz IXUZULZWPFRIKC-APWZRJJASA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CN2CCCC2)C1 ZINC000968654972 1306540162 /nfs/dbraw/zinc/54/01/62/1306540162.db2.gz IXUZULZWPFRIKC-APWZRJJASA-N 1 3 347.478 2.557 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673532 1306555611 /nfs/dbraw/zinc/55/56/11/1306555611.db2.gz KNEMHGXKDDBARP-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673532 1306555615 /nfs/dbraw/zinc/55/56/15/1306555615.db2.gz KNEMHGXKDDBARP-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674256 1306557145 /nfs/dbraw/zinc/55/71/45/1306557145.db2.gz QEARUQYCFHFIIR-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674256 1306557150 /nfs/dbraw/zinc/55/71/50/1306557150.db2.gz QEARUQYCFHFIIR-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674306 1306557203 /nfs/dbraw/zinc/55/72/03/1306557203.db2.gz QKJLXLOALYAFMW-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674306 1306557205 /nfs/dbraw/zinc/55/72/05/1306557205.db2.gz QKJLXLOALYAFMW-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680479 1306562778 /nfs/dbraw/zinc/56/27/78/1306562778.db2.gz AAHBOJSBQPVSSR-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680479 1306562781 /nfs/dbraw/zinc/56/27/81/1306562781.db2.gz AAHBOJSBQPVSSR-LPHOPBHVSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682541 1306564202 /nfs/dbraw/zinc/56/42/02/1306564202.db2.gz SCHCRGADGMTXFO-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682541 1306564204 /nfs/dbraw/zinc/56/42/04/1306564204.db2.gz SCHCRGADGMTXFO-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682806 1306564733 /nfs/dbraw/zinc/56/47/33/1306564733.db2.gz UZPQMFDHJOWLLY-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682806 1306564735 /nfs/dbraw/zinc/56/47/35/1306564735.db2.gz UZPQMFDHJOWLLY-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627784 1306672197 /nfs/dbraw/zinc/67/21/97/1306672197.db2.gz CGHBQSRUOQQOLN-QAPCUYQASA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN(C)C1CCC1 ZINC001044628098 1306672667 /nfs/dbraw/zinc/67/26/67/1306672667.db2.gz FRTMOIQAWFIHFH-RDJZCZTQSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628972 1306673436 /nfs/dbraw/zinc/67/34/36/1306673436.db2.gz KGZAOBZUBPLHRB-GDBMZVCRSA-N 1 3 335.517 2.702 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001044630280 1306674553 /nfs/dbraw/zinc/67/45/53/1306674553.db2.gz UVFHZHOXENIFIS-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044749653 1306770557 /nfs/dbraw/zinc/77/05/57/1306770557.db2.gz KFUFCDWVGWDQKV-IRXDYDNUSA-N 1 3 340.471 2.738 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044748182 1306771176 /nfs/dbraw/zinc/77/11/76/1306771176.db2.gz BTQCPOXBDHTPOU-CRAIPNDOSA-N 1 3 340.471 2.684 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)c(C)s1 ZINC001044757004 1306777067 /nfs/dbraw/zinc/77/70/67/1306777067.db2.gz SEXGFJZEQRVXAP-WBMJQRKESA-N 1 3 346.500 2.800 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000968904011 1306777271 /nfs/dbraw/zinc/77/72/71/1306777271.db2.gz GBHVDARQVGTMDJ-MRXNPFEDSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC000968904342 1306777499 /nfs/dbraw/zinc/77/74/99/1306777499.db2.gz PTFPCYYBMBTJFI-WMLDXEAASA-N 1 3 333.451 2.562 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000968903999 1306778007 /nfs/dbraw/zinc/77/80/07/1306778007.db2.gz FMTTVNBNKYAVOL-GOSISDBHSA-N 1 3 343.515 2.787 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCc3ccc(Cl)cc3)C2)CCC1 ZINC000968907184 1306780786 /nfs/dbraw/zinc/78/07/86/1306780786.db2.gz DZXXJENEFZGBMS-QGZVFWFLSA-N 1 3 349.906 2.557 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CC1 ZINC000968912971 1306787358 /nfs/dbraw/zinc/78/73/58/1306787358.db2.gz YOYMHMUFTVFDAP-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CC1 ZINC000968912802 1306787916 /nfs/dbraw/zinc/78/79/16/1306787916.db2.gz SPANECHCBPXPKO-UYAOXDASSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000968971320 1306848864 /nfs/dbraw/zinc/84/88/64/1306848864.db2.gz YJHBCHDETAKGSA-MSOLQXFVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000968971320 1306848869 /nfs/dbraw/zinc/84/88/69/1306848869.db2.gz YJHBCHDETAKGSA-MSOLQXFVSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC000968989536 1306866245 /nfs/dbraw/zinc/86/62/45/1306866245.db2.gz ISYRGFDFSOHZFR-QRQLOZEOSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1 ZINC001044857233 1306867301 /nfs/dbraw/zinc/86/73/01/1306867301.db2.gz GQCQLLWCSQLRLE-AZUAARDMSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CN1CCCC1 ZINC001044857195 1306867657 /nfs/dbraw/zinc/86/76/57/1306867657.db2.gz GCHGDFGPISSOIA-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC001044857534 1306868147 /nfs/dbraw/zinc/86/81/47/1306868147.db2.gz KSUQTWAGBIUWLJ-MAUKXSAKSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858092 1306868425 /nfs/dbraw/zinc/86/84/25/1306868425.db2.gz QAECGGBHNPNTJA-QFBILLFUSA-N 1 3 347.478 2.721 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044858996 1306869033 /nfs/dbraw/zinc/86/90/33/1306869033.db2.gz YMUBMKKGRCKLIF-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044859019 1306869338 /nfs/dbraw/zinc/86/93/38/1306869338.db2.gz YVNKQJVGCKDJNP-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cc1F ZINC001044858860 1306869628 /nfs/dbraw/zinc/86/96/28/1306869628.db2.gz WQDDUHZZTSUDGR-FUHWJXTLSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c1 ZINC001044858993 1306869748 /nfs/dbraw/zinc/86/97/48/1306869748.db2.gz YMUBMKKGRCKLIF-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001044959774 1306956433 /nfs/dbraw/zinc/95/64/33/1306956433.db2.gz MBYFATZCXFNAMI-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001044960033 1306956628 /nfs/dbraw/zinc/95/66/28/1306956628.db2.gz SGCCEGJWKSJTCH-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl)C1CCC1 ZINC001045070369 1307032702 /nfs/dbraw/zinc/03/27/02/1307032702.db2.gz GCGQRWSGSZAXPV-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001045079304 1307038011 /nfs/dbraw/zinc/03/80/11/1307038011.db2.gz CQTGIRIRRQUGND-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001045079745 1307038097 /nfs/dbraw/zinc/03/80/97/1307038097.db2.gz QYESGICXABRBOJ-IRXDYDNUSA-N 1 3 337.533 2.723 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001045089942 1307045221 /nfs/dbraw/zinc/04/52/21/1307045221.db2.gz RGJRZQYXWMSYTD-FUHWJXTLSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001045089188 1307045830 /nfs/dbraw/zinc/04/58/30/1307045830.db2.gz CNZOPRHQDJYRSE-ZWKOTPCHSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001209447108 1314164537 /nfs/dbraw/zinc/16/45/37/1314164537.db2.gz XHJSWPZRDNEYIS-DZGCQCFKSA-N 1 3 339.430 2.558 20 0 EFADHO c1ncc([C@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001209451813 1314165987 /nfs/dbraw/zinc/16/59/87/1314165987.db2.gz SGGWBNPJLAQQHP-GOSISDBHSA-N 1 3 344.503 2.691 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455474 1314166504 /nfs/dbraw/zinc/16/65/04/1314166504.db2.gz SXTTXPRDBFCTNI-OAHLLOKOSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001045187113 1307122585 /nfs/dbraw/zinc/12/25/85/1307122585.db2.gz CQTGIRIRRQUGND-VQTJNVASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001045199651 1307134106 /nfs/dbraw/zinc/13/41/06/1307134106.db2.gz GYHDOXURHYUSPK-LPHOPBHVSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001045199625 1307134150 /nfs/dbraw/zinc/13/41/50/1307134150.db2.gz GCQJOWCPLZXSBE-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045199491 1307134216 /nfs/dbraw/zinc/13/42/16/1307134216.db2.gz BJVKAVWUGLQLRW-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045199491 1307134218 /nfs/dbraw/zinc/13/42/18/1307134218.db2.gz BJVKAVWUGLQLRW-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1C ZINC001045200401 1307134785 /nfs/dbraw/zinc/13/47/85/1307134785.db2.gz WVRNIZHTPKJDJI-JXFKEZNVSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC001045200564 1307134875 /nfs/dbraw/zinc/13/48/75/1307134875.db2.gz GVPYCPZMODMERQ-MJGOQNOKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)cc1 ZINC001045200339 1307135036 /nfs/dbraw/zinc/13/50/36/1307135036.db2.gz VDSGRVROHJIJEP-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC001045199825 1307135304 /nfs/dbraw/zinc/13/53/04/1307135304.db2.gz JNIFTAHVWDAGGF-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001045201144 1307135858 /nfs/dbraw/zinc/13/58/58/1307135858.db2.gz VQTDTDZLNITDDB-OALUTQOASA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001045200712 1307135872 /nfs/dbraw/zinc/13/58/72/1307135872.db2.gz MVQJDLYTOSLFEP-LPHOPBHVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c(C)c1 ZINC001045201192 1307135895 /nfs/dbraw/zinc/13/58/95/1307135895.db2.gz WSOGSECQRLKKFJ-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001045201231 1307135919 /nfs/dbraw/zinc/13/59/19/1307135919.db2.gz YRSYQPMFGLCSBN-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001045201189 1307136134 /nfs/dbraw/zinc/13/61/34/1307136134.db2.gz WQAFPCXNLKLRRR-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001045310752 1307230454 /nfs/dbraw/zinc/23/04/54/1307230454.db2.gz UCLNEGJYVAEAAC-KRWDZBQOSA-N 1 3 335.879 2.516 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001045438035 1307338076 /nfs/dbraw/zinc/33/80/76/1307338076.db2.gz IWTPWWQVPAGCSG-CQSZACIVSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(CCC(F)(F)F)CC1 ZINC001045438035 1307338079 /nfs/dbraw/zinc/33/80/79/1307338079.db2.gz IWTPWWQVPAGCSG-CQSZACIVSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007440242 1307436904 /nfs/dbraw/zinc/43/69/04/1307436904.db2.gz HSHCHNAVJILODK-MRXNPFEDSA-N 1 3 335.517 2.970 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007440242 1307436908 /nfs/dbraw/zinc/43/69/08/1307436908.db2.gz HSHCHNAVJILODK-MRXNPFEDSA-N 1 3 335.517 2.970 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001007457167 1307447642 /nfs/dbraw/zinc/44/76/42/1307447642.db2.gz JGEMUWZOYFMTSG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001007457167 1307447647 /nfs/dbraw/zinc/44/76/47/1307447647.db2.gz JGEMUWZOYFMTSG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007457167 1307447652 /nfs/dbraw/zinc/44/76/52/1307447652.db2.gz JGEMUWZOYFMTSG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007457167 1307447656 /nfs/dbraw/zinc/44/76/56/1307447656.db2.gz JGEMUWZOYFMTSG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640307 1307493262 /nfs/dbraw/zinc/49/32/62/1307493262.db2.gz MVFHTHXBJSOOCX-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640307 1307493269 /nfs/dbraw/zinc/49/32/69/1307493269.db2.gz MVFHTHXBJSOOCX-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640306 1307493587 /nfs/dbraw/zinc/49/35/87/1307493587.db2.gz MVFHTHXBJSOOCX-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640306 1307493591 /nfs/dbraw/zinc/49/35/91/1307493591.db2.gz MVFHTHXBJSOOCX-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@@H+]1C ZINC001095919998 1307584405 /nfs/dbraw/zinc/58/44/05/1307584405.db2.gz BCJFUYLMGXSQNP-UVBQOVKKSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@H+]1C ZINC001095919998 1307584411 /nfs/dbraw/zinc/58/44/11/1307584411.db2.gz BCJFUYLMGXSQNP-UVBQOVKKSA-N 1 3 341.499 2.638 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCC1 ZINC001045780526 1307591159 /nfs/dbraw/zinc/59/11/59/1307591159.db2.gz RBGWNMIEYMBRPX-SJORKVTESA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCC1 ZINC001045780526 1307591162 /nfs/dbraw/zinc/59/11/62/1307591162.db2.gz RBGWNMIEYMBRPX-SJORKVTESA-N 1 3 339.499 2.676 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045789498 1307601458 /nfs/dbraw/zinc/60/14/58/1307601458.db2.gz BIEZYHYQPIFVRJ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045789498 1307601460 /nfs/dbraw/zinc/60/14/60/1307601460.db2.gz BIEZYHYQPIFVRJ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045789499 1307601507 /nfs/dbraw/zinc/60/15/07/1307601507.db2.gz BIEZYHYQPIFVRJ-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045789499 1307601509 /nfs/dbraw/zinc/60/15/09/1307601509.db2.gz BIEZYHYQPIFVRJ-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001045789561 1307601579 /nfs/dbraw/zinc/60/15/79/1307601579.db2.gz DOOZXBPBMHRPMK-QYZOEREBSA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001045789561 1307601583 /nfs/dbraw/zinc/60/15/83/1307601583.db2.gz DOOZXBPBMHRPMK-QYZOEREBSA-N 1 3 333.520 2.892 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045789925 1307602155 /nfs/dbraw/zinc/60/21/55/1307602155.db2.gz ZZEFMEUJNBMVEJ-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045789925 1307602161 /nfs/dbraw/zinc/60/21/61/1307602161.db2.gz ZZEFMEUJNBMVEJ-QYZOEREBSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@@H+]1C ZINC001095920373 1307639402 /nfs/dbraw/zinc/63/94/02/1307639402.db2.gz VAPXRTVKYXVBHD-UVBQOVKKSA-N 1 3 345.531 2.939 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@H+]1C ZINC001095920373 1307639408 /nfs/dbraw/zinc/63/94/08/1307639408.db2.gz VAPXRTVKYXVBHD-UVBQOVKKSA-N 1 3 345.531 2.939 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001209632119 1314204164 /nfs/dbraw/zinc/20/41/64/1314204164.db2.gz KATKPSSKAHLLQB-GJZGRUSLSA-N 1 3 349.441 2.784 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001209640733 1314206923 /nfs/dbraw/zinc/20/69/23/1314206923.db2.gz DBRWKRRYDWBGRA-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001045858323 1307759722 /nfs/dbraw/zinc/75/97/22/1307759722.db2.gz IQEVLJQZGQQZCA-UHOSZYNNSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001045858323 1307759726 /nfs/dbraw/zinc/75/97/26/1307759726.db2.gz IQEVLJQZGQQZCA-UHOSZYNNSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001209642511 1314207954 /nfs/dbraw/zinc/20/79/54/1314207954.db2.gz OHTGTMBAKDHIPA-CABCVRRESA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@H]3CCC[C@H]3C)cc2)CC1 ZINC000800392406 1307786055 /nfs/dbraw/zinc/78/60/55/1307786055.db2.gz VXNQROUELCBQLK-APWZRJJASA-N 1 3 344.503 2.545 20 0 EFADHO CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052417 1307787379 /nfs/dbraw/zinc/78/73/79/1307787379.db2.gz LFQIGFQUOLLJTP-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CC(C[N@H+]2CCC[C@H](NC(=O)[C@@H](C3CC3)N3CCCC3)C2)C1 ZINC001008052417 1307787381 /nfs/dbraw/zinc/78/73/81/1307787381.db2.gz LFQIGFQUOLLJTP-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053192 1307788058 /nfs/dbraw/zinc/78/80/58/1307788058.db2.gz SYHIPCPHTHYBFC-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001008053192 1307788061 /nfs/dbraw/zinc/78/80/61/1307788061.db2.gz SYHIPCPHTHYBFC-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209641629 1314207115 /nfs/dbraw/zinc/20/71/15/1314207115.db2.gz KEPJUBAEWVVWAI-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001209659463 1314211834 /nfs/dbraw/zinc/21/18/34/1314211834.db2.gz DSGJUMOGSOGVBA-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1OC(C)C ZINC001276661666 1314212200 /nfs/dbraw/zinc/21/22/00/1314212200.db2.gz YLTLKYUDTYIBCT-UHFFFAOYSA-N 1 3 345.531 2.852 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCC1 ZINC001045896252 1307833945 /nfs/dbraw/zinc/83/39/45/1307833945.db2.gz ABZLWEIRFJNBOJ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCC1 ZINC001045896252 1307833950 /nfs/dbraw/zinc/83/39/50/1307833950.db2.gz ABZLWEIRFJNBOJ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001045896493 1307834688 /nfs/dbraw/zinc/83/46/88/1307834688.db2.gz RHWPOSGDTLBMTA-MSOLQXFVSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045896493 1307834691 /nfs/dbraw/zinc/83/46/91/1307834691.db2.gz RHWPOSGDTLBMTA-MSOLQXFVSA-N 1 3 347.478 2.787 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001209668067 1314213140 /nfs/dbraw/zinc/21/31/40/1314213140.db2.gz AJUYXQIOQBXCJT-KGLIPLIRSA-N 1 3 337.430 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001209680367 1314215530 /nfs/dbraw/zinc/21/55/30/1314215530.db2.gz YJIPDXNGKMNCEN-UXHICEINSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c1 ZINC001276664134 1314216008 /nfs/dbraw/zinc/21/60/08/1314216008.db2.gz MKGPLOFBEAWUSY-AZUAARDMSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c1 ZINC001276664134 1314216012 /nfs/dbraw/zinc/21/60/12/1314216012.db2.gz MKGPLOFBEAWUSY-AZUAARDMSA-N 1 3 345.531 2.850 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001209689344 1314217252 /nfs/dbraw/zinc/21/72/52/1314217252.db2.gz KNHYFTRVLXUJMK-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045940695 1307947738 /nfs/dbraw/zinc/94/77/38/1307947738.db2.gz CKLRUHACUXEDBF-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045940695 1307947744 /nfs/dbraw/zinc/94/77/44/1307947744.db2.gz CKLRUHACUXEDBF-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045941995 1307952226 /nfs/dbraw/zinc/95/22/26/1307952226.db2.gz PTZVFEBFDJFXJA-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045941995 1307952230 /nfs/dbraw/zinc/95/22/30/1307952230.db2.gz PTZVFEBFDJFXJA-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943452 1307956170 /nfs/dbraw/zinc/95/61/70/1307956170.db2.gz IQMSFBNDFFMRNY-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943452 1307956173 /nfs/dbraw/zinc/95/61/73/1307956173.db2.gz IQMSFBNDFFMRNY-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1)C1CCC1 ZINC001045944112 1307960603 /nfs/dbraw/zinc/96/06/03/1307960603.db2.gz XOKJMCHPRCTVAN-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1)C1CCC1 ZINC001045944112 1307960608 /nfs/dbraw/zinc/96/06/08/1307960608.db2.gz XOKJMCHPRCTVAN-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCCF)C2)C1)N(C)C ZINC001045963632 1308014135 /nfs/dbraw/zinc/01/41/35/1308014135.db2.gz BQLXHNSSKHTIDR-MJGOQNOKSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCF)C2)C1)N(C)C ZINC001045963632 1308014140 /nfs/dbraw/zinc/01/41/40/1308014140.db2.gz BQLXHNSSKHTIDR-MJGOQNOKSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)N(C)C ZINC001045964933 1308017401 /nfs/dbraw/zinc/01/74/01/1308017401.db2.gz AFKIWVWPZGPYRF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)N(C)C ZINC001045964933 1308017407 /nfs/dbraw/zinc/01/74/07/1308017407.db2.gz AFKIWVWPZGPYRF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965050 1308019197 /nfs/dbraw/zinc/01/91/97/1308019197.db2.gz BSFAVYXGQGEZRF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965050 1308019205 /nfs/dbraw/zinc/01/92/05/1308019205.db2.gz BSFAVYXGQGEZRF-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968876 1308029997 /nfs/dbraw/zinc/02/99/97/1308029997.db2.gz IUJZVVNTLCSUDX-QFBILLFUSA-N 1 3 332.492 2.703 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968876 1308030002 /nfs/dbraw/zinc/03/00/02/1308030002.db2.gz IUJZVVNTLCSUDX-QFBILLFUSA-N 1 3 332.492 2.703 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008412717 1308053535 /nfs/dbraw/zinc/05/35/35/1308053535.db2.gz SOVKRCUTEWJOOF-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)c1ccncc1CNCC1([NH+]2CCSCC2)CCCCC1 ZINC001413122341 1308115109 /nfs/dbraw/zinc/11/51/09/1308115109.db2.gz SXSQMUDANLMTHI-UHFFFAOYSA-N 1 3 348.560 2.989 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001413135263 1308124097 /nfs/dbraw/zinc/12/40/97/1308124097.db2.gz YFXGLALRPQLWFB-WTJLDUFHSA-N 1 3 336.426 2.945 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001008510412 1308125481 /nfs/dbraw/zinc/12/54/81/1308125481.db2.gz PQKYDCXVHDIJJO-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001008510412 1308125485 /nfs/dbraw/zinc/12/54/85/1308125485.db2.gz PQKYDCXVHDIJJO-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC001413134395 1308139357 /nfs/dbraw/zinc/13/93/57/1308139357.db2.gz VHHWEGFJOZSCCJ-MOPGFXCFSA-N 1 3 343.446 2.841 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(Cl)c1 ZINC001019241651 1314235182 /nfs/dbraw/zinc/23/51/82/1314235182.db2.gz QXPCFXNMFIYPLU-XOKHGSTOSA-N 1 3 335.879 2.686 20 0 EFADHO CC(C)=CCN1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145885 1308408040 /nfs/dbraw/zinc/40/80/40/1308408040.db2.gz OQOWXZJFXDAWIA-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009200946 1308427377 /nfs/dbraw/zinc/42/73/77/1308427377.db2.gz IRWFITBPLKCWPZ-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009200946 1308427380 /nfs/dbraw/zinc/42/73/80/1308427380.db2.gz IRWFITBPLKCWPZ-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009201445 1308427733 /nfs/dbraw/zinc/42/77/33/1308427733.db2.gz KNOJAZZEZOKAFH-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009201445 1308427737 /nfs/dbraw/zinc/42/77/37/1308427737.db2.gz KNOJAZZEZOKAFH-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009202047 1308428569 /nfs/dbraw/zinc/42/85/69/1308428569.db2.gz MFEIUSNIYFHETN-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009202047 1308428573 /nfs/dbraw/zinc/42/85/73/1308428573.db2.gz MFEIUSNIYFHETN-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009203258 1308429168 /nfs/dbraw/zinc/42/91/68/1308429168.db2.gz PNLCBIZIGQVHIQ-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203258 1308429170 /nfs/dbraw/zinc/42/91/70/1308429170.db2.gz PNLCBIZIGQVHIQ-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001009205546 1308430704 /nfs/dbraw/zinc/43/07/04/1308430704.db2.gz AIIWYJWPUIYMCZ-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001009205546 1308430707 /nfs/dbraw/zinc/43/07/07/1308430707.db2.gz AIIWYJWPUIYMCZ-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3ccccc3F)C2)C1 ZINC001019274763 1314250068 /nfs/dbraw/zinc/25/00/68/1314250068.db2.gz OESAVAIIVKKQLW-MSOLQXFVSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](NCc3ccccc3F)C2)C1 ZINC001019274763 1314250070 /nfs/dbraw/zinc/25/00/70/1314250070.db2.gz OESAVAIIVKKQLW-MSOLQXFVSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001046329837 1308546494 /nfs/dbraw/zinc/54/64/94/1308546494.db2.gz SEWFYCYTGAYAGW-BSIFCXSSSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001046329837 1308546498 /nfs/dbraw/zinc/54/64/98/1308546498.db2.gz SEWFYCYTGAYAGW-BSIFCXSSSA-N 1 3 343.515 2.670 20 0 EFADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC1CC[NH+](C)CC1 ZINC001413206660 1308621901 /nfs/dbraw/zinc/62/19/01/1308621901.db2.gz YWZOWNBAHPGWSS-NRFANRHFSA-N 1 3 344.499 2.969 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N1CCCCCC1 ZINC001096101488 1308737691 /nfs/dbraw/zinc/73/76/91/1308737691.db2.gz XXAKSZAQVNBDSN-YSHGAJCASA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N1CCCCCC1 ZINC001096101488 1308737695 /nfs/dbraw/zinc/73/76/95/1308737695.db2.gz XXAKSZAQVNBDSN-YSHGAJCASA-N 1 3 333.520 2.773 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001276676429 1314268061 /nfs/dbraw/zinc/26/80/61/1314268061.db2.gz DSYVEUWWNJWILR-UHFFFAOYSA-N 1 3 347.551 2.557 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1c[nH]nc1C(C)(C)C)CC2 ZINC001276676429 1314268064 /nfs/dbraw/zinc/26/80/64/1314268064.db2.gz DSYVEUWWNJWILR-UHFFFAOYSA-N 1 3 347.551 2.557 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3c[nH]nc3C(C)(C)C)(C1)CCC2 ZINC001276676878 1314272892 /nfs/dbraw/zinc/27/28/92/1314272892.db2.gz OJDYGLOKRIWDIS-VQTJNVASSA-N 1 3 347.551 2.793 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853294 1314273698 /nfs/dbraw/zinc/27/36/98/1314273698.db2.gz KMWYYJBQBODHBR-JEWRLFTDSA-N 1 3 339.499 2.576 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853294 1314273700 /nfs/dbraw/zinc/27/37/00/1314273700.db2.gz KMWYYJBQBODHBR-JEWRLFTDSA-N 1 3 339.499 2.576 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210041567 1314274849 /nfs/dbraw/zinc/27/48/49/1314274849.db2.gz VMEMFYCIAQQRQA-JTDSTZFVSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C ZINC001210041567 1314274851 /nfs/dbraw/zinc/27/48/51/1314274851.db2.gz VMEMFYCIAQQRQA-JTDSTZFVSA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)=CCN1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046618258 1308936934 /nfs/dbraw/zinc/93/69/34/1308936934.db2.gz DAJYPTNPHNGMQB-OAQYLSRUSA-N 1 3 343.515 2.951 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019342805 1314283326 /nfs/dbraw/zinc/28/33/26/1314283326.db2.gz IQGUEMPOIPSXOR-RBUKOAKNSA-N 1 3 331.504 2.526 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001019342876 1314283392 /nfs/dbraw/zinc/28/33/92/1314283392.db2.gz MTTIKXBZYBRWHR-HRCADAONSA-N 1 3 345.478 2.589 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](CC)OC)C1 ZINC001210181126 1314292674 /nfs/dbraw/zinc/29/26/74/1314292674.db2.gz BONMCBLUWAGGPM-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCOC(C)C)C1 ZINC001210181936 1314292369 /nfs/dbraw/zinc/29/23/69/1314292369.db2.gz GACSOLJLJLOFCL-SFHVURJKSA-N 1 3 341.540 2.504 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210217141 1314296256 /nfs/dbraw/zinc/29/62/56/1314296256.db2.gz DIQYUZRBZQNXSZ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001210218279 1314296922 /nfs/dbraw/zinc/29/69/22/1314296922.db2.gz QCWRLHVYIDAEFZ-SFHVURJKSA-N 1 3 342.487 2.590 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001210218227 1314297193 /nfs/dbraw/zinc/29/71/93/1314297193.db2.gz PSJPOSFZXRNCEP-HNAYVOBHSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210218162 1314297240 /nfs/dbraw/zinc/29/72/40/1314297240.db2.gz PDCRCBOAJJXJAZ-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)C1 ZINC001210219958 1314297362 /nfs/dbraw/zinc/29/73/62/1314297362.db2.gz VPAGNYMTNDATDN-WMZOPIPTSA-N 1 3 347.503 2.679 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001210220907 1314297791 /nfs/dbraw/zinc/29/77/91/1314297791.db2.gz YLRCISBOEWVISR-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001019381781 1314302972 /nfs/dbraw/zinc/30/29/72/1314302972.db2.gz UTFCLBHRMTWQAQ-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO c1ccc(Oc2cnccc2Nc2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC001210261528 1314303667 /nfs/dbraw/zinc/30/36/67/1314303667.db2.gz AKLDWRBAAUDDFZ-UHFFFAOYSA-N 1 3 347.422 2.844 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001019382429 1314303787 /nfs/dbraw/zinc/30/37/87/1314303787.db2.gz AVNKDLOKVOJZIK-BEFAXECRSA-N 1 3 343.515 2.644 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019382589 1314303949 /nfs/dbraw/zinc/30/39/49/1314303949.db2.gz CSPRXUMIDXQITO-KDOFPFPSSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001019382469 1314303997 /nfs/dbraw/zinc/30/39/97/1314303997.db2.gz CBQGYEPHKJHVDE-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001019386892 1314307026 /nfs/dbraw/zinc/30/70/26/1314307026.db2.gz XFTQXDRJFYBVPQ-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001019386930 1314307124 /nfs/dbraw/zinc/30/71/24/1314307124.db2.gz YTVSAQYEKBZDAJ-WMZOPIPTSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@H+](CC3CC3)CC2)C1 ZINC001052701441 1314310024 /nfs/dbraw/zinc/31/00/24/1314310024.db2.gz FDURGGSMQLPMJS-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC001052701441 1314310027 /nfs/dbraw/zinc/31/00/27/1314310027.db2.gz FDURGGSMQLPMJS-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001019394510 1314310516 /nfs/dbraw/zinc/31/05/16/1314310516.db2.gz JXYWLRCSDCVQKR-HKUYNNGSSA-N 1 3 329.488 2.595 20 0 EFADHO CN1CCN(c2cccc(-c3ccccc3N3CC[NH2+]CC3)c2)CC1 ZINC001243671506 1314312545 /nfs/dbraw/zinc/31/25/45/1314312545.db2.gz SIXFKGXRISNJOB-UHFFFAOYSA-N 1 3 336.483 2.515 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1)N(C)C ZINC001019397225 1314313145 /nfs/dbraw/zinc/31/31/45/1314313145.db2.gz PADDEXATFFTDCR-RDJZCZTQSA-N 1 3 345.512 2.932 20 0 EFADHO CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834671 1309486489 /nfs/dbraw/zinc/48/64/89/1309486489.db2.gz VDJCRUZHVIFWSG-FPOVZHCZSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834671 1309486493 /nfs/dbraw/zinc/48/64/93/1309486493.db2.gz VDJCRUZHVIFWSG-FPOVZHCZSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001210356158 1314318595 /nfs/dbraw/zinc/31/85/95/1314318595.db2.gz LMEYDFJZERQBIO-NRFANRHFSA-N 1 3 341.474 2.904 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001052713561 1314319716 /nfs/dbraw/zinc/31/97/16/1314319716.db2.gz ZYBVGSJGQJXGFZ-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001052713561 1314319719 /nfs/dbraw/zinc/31/97/19/1314319719.db2.gz ZYBVGSJGQJXGFZ-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052716298 1314321342 /nfs/dbraw/zinc/32/13/42/1314321342.db2.gz LGSXXRSLYRTYHZ-WBVHZDCISA-N 1 3 335.517 2.703 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052716298 1314321346 /nfs/dbraw/zinc/32/13/46/1314321346.db2.gz LGSXXRSLYRTYHZ-WBVHZDCISA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711885 1314317597 /nfs/dbraw/zinc/31/75/97/1314317597.db2.gz APSVWTNIBHFMLJ-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)CC2)C1 ZINC001052711885 1314317601 /nfs/dbraw/zinc/31/76/01/1314317601.db2.gz APSVWTNIBHFMLJ-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052712369 1314317865 /nfs/dbraw/zinc/31/78/65/1314317865.db2.gz HPDUGYJVCJOVNR-MJGOQNOKSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052712369 1314317869 /nfs/dbraw/zinc/31/78/69/1314317869.db2.gz HPDUGYJVCJOVNR-MJGOQNOKSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001046950388 1309749330 /nfs/dbraw/zinc/74/93/30/1309749330.db2.gz GXQBVSXPGSRXLP-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001046950388 1309749338 /nfs/dbraw/zinc/74/93/38/1309749338.db2.gz GXQBVSXPGSRXLP-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901192181 1309769857 /nfs/dbraw/zinc/76/98/57/1309769857.db2.gz ICBBMBBQVSUZQC-UHOSZYNNSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901192181 1309769864 /nfs/dbraw/zinc/76/98/64/1309769864.db2.gz ICBBMBBQVSUZQC-UHOSZYNNSA-N 1 3 331.504 2.744 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC001019436077 1314337073 /nfs/dbraw/zinc/33/70/73/1314337073.db2.gz SSVUTMLUDOSSSH-IBGZPJMESA-N 1 3 348.450 2.539 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437646 1314338669 /nfs/dbraw/zinc/33/86/69/1314338669.db2.gz UGGMQFRZTBJWRF-KRWDZBQOSA-N 1 3 348.450 2.805 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001210476528 1314338912 /nfs/dbraw/zinc/33/89/12/1314338912.db2.gz DPPOWJFIVHPNRJ-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C)cc2)C[C@H]1C ZINC001210476528 1314338916 /nfs/dbraw/zinc/33/89/16/1314338916.db2.gz DPPOWJFIVHPNRJ-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCC1(F)F ZINC001046978937 1309828688 /nfs/dbraw/zinc/82/86/88/1309828688.db2.gz ZPWXXENEUNIZBZ-CVEARBPZSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)CCC1(F)F ZINC001046978937 1309828697 /nfs/dbraw/zinc/82/86/97/1309828697.db2.gz ZPWXXENEUNIZBZ-CVEARBPZSA-N 1 3 345.478 2.731 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001046987209 1309854901 /nfs/dbraw/zinc/85/49/01/1309854901.db2.gz RTZOLIDNBPNBGJ-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(CC)CCC1(F)F ZINC001046987209 1309854906 /nfs/dbraw/zinc/85/49/06/1309854906.db2.gz RTZOLIDNBPNBGJ-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(CC)cc2)C[C@H]1C ZINC001210497331 1314343461 /nfs/dbraw/zinc/34/34/61/1314343461.db2.gz DEKFTKYMTCEUHT-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(CC)cc2)C[C@H]1C ZINC001210497331 1314343463 /nfs/dbraw/zinc/34/34/63/1314343463.db2.gz DEKFTKYMTCEUHT-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052763066 1314357260 /nfs/dbraw/zinc/35/72/60/1314357260.db2.gz CSPQSRZOPOUZQL-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052763066 1314357265 /nfs/dbraw/zinc/35/72/65/1314357265.db2.gz CSPQSRZOPOUZQL-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764102 1314357542 /nfs/dbraw/zinc/35/75/42/1314357542.db2.gz MNTCPLDOORNHQQ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1)N1CCCCCC1 ZINC001052764102 1314357545 /nfs/dbraw/zinc/35/75/45/1314357545.db2.gz MNTCPLDOORNHQQ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO COc1cc(N2CC[NH2+]CC2)ccc1-c1ccc2c(N)ccnc2c1 ZINC001244288245 1314368856 /nfs/dbraw/zinc/36/88/56/1314368856.db2.gz DRINFCXMSCITKQ-UHFFFAOYSA-N 1 3 334.423 2.902 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047225211 1310351472 /nfs/dbraw/zinc/35/14/72/1310351472.db2.gz ANEPKYMSZUKREE-WOJBJXKFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047242846 1310395886 /nfs/dbraw/zinc/39/58/86/1310395886.db2.gz GHCLKLBJACNDRN-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001210751294 1314382204 /nfs/dbraw/zinc/38/22/04/1314382204.db2.gz XOTZCGDTHBAQSD-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CCCF)CC2)C1)N(C)C ZINC001047244805 1310401703 /nfs/dbraw/zinc/40/17/03/1310401703.db2.gz UMXFWULMJUUAOB-QZTJIDSGSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244701 1310401922 /nfs/dbraw/zinc/40/19/22/1310401922.db2.gz UVESRQTULRPRPU-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC001019560799 1314384234 /nfs/dbraw/zinc/38/42/34/1314384234.db2.gz YXDGNRIDVBXCFR-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001210789877 1314388833 /nfs/dbraw/zinc/38/88/33/1314388833.db2.gz SKNFFFVSJMWXNH-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001047255867 1310429315 /nfs/dbraw/zinc/42/93/15/1310429315.db2.gz FLGLGGZCUYNCKC-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256067 1310429390 /nfs/dbraw/zinc/42/93/90/1310429390.db2.gz GBPGZMUDEUVNMR-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047255826 1310429477 /nfs/dbraw/zinc/42/94/77/1310429477.db2.gz DUXHPGLEWIPSLL-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CCCF)CC2)C1)N(C)C ZINC001047257809 1310434924 /nfs/dbraw/zinc/43/49/24/1310434924.db2.gz UMXFWULMJUUAOB-ROUUACIJSA-N 1 3 341.515 2.637 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001210773459 1314385182 /nfs/dbraw/zinc/38/51/82/1314385182.db2.gz KERNJTYISKKVEG-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2ccccc2F)C1 ZINC001210773459 1314385183 /nfs/dbraw/zinc/38/51/83/1314385183.db2.gz KERNJTYISKKVEG-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001210789869 1314388756 /nfs/dbraw/zinc/38/87/56/1314388756.db2.gz SGPBOAMETBECEO-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001210783865 1314387697 /nfs/dbraw/zinc/38/76/97/1314387697.db2.gz WFQFFKYJIDRFAB-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001210788301 1314388303 /nfs/dbraw/zinc/38/83/03/1314388303.db2.gz AQXAELKQAWEPDY-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001210811306 1314392296 /nfs/dbraw/zinc/39/22/96/1314392296.db2.gz LJHMRNGPYMIBEE-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001210811449 1314392909 /nfs/dbraw/zinc/39/29/09/1314392909.db2.gz OCJDOGSVVDMCEG-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001210812286 1314392974 /nfs/dbraw/zinc/39/29/74/1314392974.db2.gz WEYFDEVOLIDFJR-MJGOQNOKSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001210790688 1314388896 /nfs/dbraw/zinc/38/88/96/1314388896.db2.gz ZEFBIZMCQBXIRE-GOSISDBHSA-N 1 3 335.467 2.557 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001019660216 1314412770 /nfs/dbraw/zinc/41/27/70/1314412770.db2.gz BEYHGKJLFMMCAW-GJZGRUSLSA-N 1 3 347.890 2.687 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001221710961 1311017397 /nfs/dbraw/zinc/01/73/97/1311017397.db2.gz RDORZVIEYSSEQC-FSIHAKKGSA-N 1 3 345.531 2.750 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749288302 1311025669 /nfs/dbraw/zinc/02/56/69/1311025669.db2.gz ZZNCHXXLOPJQHT-PMPSAXMXSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000749288302 1311025672 /nfs/dbraw/zinc/02/56/72/1311025672.db2.gz ZZNCHXXLOPJQHT-PMPSAXMXSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945161 1311058456 /nfs/dbraw/zinc/05/84/56/1311058456.db2.gz GXFKXLGHJCKACE-BRWVUGGUSA-N 1 3 346.519 2.902 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001221945161 1311058461 /nfs/dbraw/zinc/05/84/61/1311058461.db2.gz GXFKXLGHJCKACE-BRWVUGGUSA-N 1 3 346.519 2.902 20 0 EFADHO Cc1ncc(F)cc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276826402 1311061215 /nfs/dbraw/zinc/06/12/15/1311061215.db2.gz PEYIWGFKEUKENW-UHFFFAOYSA-N 1 3 343.450 2.740 20 0 EFADHO Cc1ncc(F)cc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276826402 1311061218 /nfs/dbraw/zinc/06/12/18/1311061218.db2.gz PEYIWGFKEUKENW-UHFFFAOYSA-N 1 3 343.450 2.740 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221967975 1311061622 /nfs/dbraw/zinc/06/16/22/1311061622.db2.gz ATKDXWLLAMUJBA-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cccc(C)c3)C[C@H]21 ZINC001221967975 1311061624 /nfs/dbraw/zinc/06/16/24/1311061624.db2.gz ATKDXWLLAMUJBA-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCC1 ZINC001111467657 1311068301 /nfs/dbraw/zinc/06/83/01/1311068301.db2.gz RFZDXBDQJLCMLP-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCC1 ZINC001111467657 1311068304 /nfs/dbraw/zinc/06/83/04/1311068304.db2.gz RFZDXBDQJLCMLP-YRXWBPOGSA-N 1 3 333.520 2.628 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222086356 1311082324 /nfs/dbraw/zinc/08/23/24/1311082324.db2.gz DYUYAWKCFPYGQZ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222258739 1311106379 /nfs/dbraw/zinc/10/63/79/1311106379.db2.gz GLYXWHAPYHTOOG-SFHVURJKSA-N 1 3 325.497 2.757 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC2(CCC[NH2+]C2)CC1 ZINC001222452889 1311135138 /nfs/dbraw/zinc/13/51/38/1311135138.db2.gz NACQSAUCWNNNBX-UHFFFAOYSA-N 1 3 346.471 2.838 20 0 EFADHO CN(Cc1ccc(-c2cnn(CC[NH+]3CCCC3)c2)nc1)C1CC1 ZINC001222466215 1311136830 /nfs/dbraw/zinc/13/68/30/1311136830.db2.gz LHCLZUKBKCOLIO-UHFFFAOYSA-N 1 3 325.460 2.635 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001490939822 1311142366 /nfs/dbraw/zinc/14/23/66/1311142366.db2.gz ABYIOCUIIYQEII-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(Cl)ccc2F)C1 ZINC001490939822 1311142369 /nfs/dbraw/zinc/14/23/69/1311142369.db2.gz ABYIOCUIIYQEII-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO COc1ccc(CN2CCC(F)(C[NH3+])CC2)cc1OC(F)(F)F ZINC001222542176 1311149896 /nfs/dbraw/zinc/14/98/96/1311149896.db2.gz AYHSRHZGDZTJSF-UHFFFAOYSA-N 1 3 336.329 2.857 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)cn1 ZINC001276830946 1311150243 /nfs/dbraw/zinc/15/02/43/1311150243.db2.gz WXUBFILRKXAFRS-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)cn1 ZINC001276830946 1311150246 /nfs/dbraw/zinc/15/02/46/1311150246.db2.gz WXUBFILRKXAFRS-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO CCn1ccc2c1cccc2CN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222674059 1311171178 /nfs/dbraw/zinc/17/11/78/1311171178.db2.gz HWKAUPFFRYIMLM-FQEVSTJZSA-N 1 3 326.488 2.579 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001222817221 1311188380 /nfs/dbraw/zinc/18/83/80/1311188380.db2.gz JXTZQEYJGRGUJT-QYZOEREBSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3CCC)C[C@@H]21 ZINC001222817221 1311188382 /nfs/dbraw/zinc/18/83/82/1311188382.db2.gz JXTZQEYJGRGUJT-QYZOEREBSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCC(O)CC3)s1)C2 ZINC001276864699 1311219381 /nfs/dbraw/zinc/21/93/81/1311219381.db2.gz GSTAZROQXYPCEH-LJQANCHMSA-N 1 3 349.544 2.627 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CCC(O)CC3)s1)C2 ZINC001276864699 1311219382 /nfs/dbraw/zinc/21/93/82/1311219382.db2.gz GSTAZROQXYPCEH-LJQANCHMSA-N 1 3 349.544 2.627 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223181490 1311227190 /nfs/dbraw/zinc/22/71/90/1311227190.db2.gz IZVKKHUONFDPSI-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223181490 1311227192 /nfs/dbraw/zinc/22/71/92/1311227192.db2.gz IZVKKHUONFDPSI-YZGWKJHDSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)cnc1C ZINC001276870163 1311227608 /nfs/dbraw/zinc/22/76/08/1311227608.db2.gz MVAUKKAAOSYIFY-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)cnc1C ZINC001276870163 1311227611 /nfs/dbraw/zinc/22/76/11/1311227611.db2.gz MVAUKKAAOSYIFY-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO N#Cc1ccc([C@H](O)CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381183209 1311231275 /nfs/dbraw/zinc/23/12/75/1311231275.db2.gz KXUGBZBWPLDGNR-TZIWHRDSSA-N 1 3 335.451 2.703 20 0 EFADHO N#Cc1ccc([C@H](O)CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381183209 1311231280 /nfs/dbraw/zinc/23/12/80/1311231280.db2.gz KXUGBZBWPLDGNR-TZIWHRDSSA-N 1 3 335.451 2.703 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364297 1311237075 /nfs/dbraw/zinc/23/70/75/1311237075.db2.gz QWCAYRKVRYOFPD-GGPKGHCWSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364297 1311237077 /nfs/dbraw/zinc/23/70/77/1311237077.db2.gz QWCAYRKVRYOFPD-GGPKGHCWSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364524 1311237424 /nfs/dbraw/zinc/23/74/24/1311237424.db2.gz VJQBJYXSZIERSP-NSHGMRRFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364524 1311237427 /nfs/dbraw/zinc/23/74/27/1311237427.db2.gz VJQBJYXSZIERSP-NSHGMRRFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047866369 1311238567 /nfs/dbraw/zinc/23/85/67/1311238567.db2.gz BONPLGXDTZEMPU-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047865888 1311238725 /nfs/dbraw/zinc/23/87/25/1311238725.db2.gz VUMDNZZTXFJCFX-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047866371 1311238755 /nfs/dbraw/zinc/23/87/55/1311238755.db2.gz BONPLGXDTZEMPU-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866946 1311239155 /nfs/dbraw/zinc/23/91/55/1311239155.db2.gz FWUIACMFUSRQER-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866885 1311239492 /nfs/dbraw/zinc/23/94/92/1311239492.db2.gz FHWCBAYYWOXZFK-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867955 1311240398 /nfs/dbraw/zinc/24/03/98/1311240398.db2.gz LMHKIRHKYNYQSK-DOTOQJQBSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047868065 1311240558 /nfs/dbraw/zinc/24/05/58/1311240558.db2.gz MIYBICZZFJSWQB-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047867957 1311240779 /nfs/dbraw/zinc/24/07/79/1311240779.db2.gz LMHKIRHKYNYQSK-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869084 1311241038 /nfs/dbraw/zinc/24/10/38/1311241038.db2.gz PFLUFUWQOKNWPG-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001047869998 1311242425 /nfs/dbraw/zinc/24/24/25/1311242425.db2.gz TWOYCELTEDHGMQ-NVXWUHKLSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001101549655 1311248894 /nfs/dbraw/zinc/24/88/94/1311248894.db2.gz SVEZJYWHRAVNRH-KRWDZBQOSA-N 1 3 325.541 2.835 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C(C)(C)C[NH2+]CCCF)CC1 ZINC001101551702 1311249428 /nfs/dbraw/zinc/24/94/28/1311249428.db2.gz XQQOPBVHGNMTSL-UHFFFAOYSA-N 1 3 343.531 2.931 20 0 EFADHO Cc1cc(F)ccc1CN1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429912 1311259584 /nfs/dbraw/zinc/25/95/84/1311259584.db2.gz DQTNFCPQMAJVGF-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1)N(C)C ZINC001223438828 1311260457 /nfs/dbraw/zinc/26/04/57/1311260457.db2.gz FNAPTHNUZWUVSO-FGTMMUONSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1)N(C)C ZINC001223438828 1311260461 /nfs/dbraw/zinc/26/04/61/1311260461.db2.gz FNAPTHNUZWUVSO-FGTMMUONSA-N 1 3 341.515 2.635 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223438876 1311260982 /nfs/dbraw/zinc/26/09/82/1311260982.db2.gz GIFDGVQTLWLHIM-XCLUONLBSA-N 1 3 335.536 2.852 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001223438876 1311260984 /nfs/dbraw/zinc/26/09/84/1311260984.db2.gz GIFDGVQTLWLHIM-XCLUONLBSA-N 1 3 335.536 2.852 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC001223457579 1311263073 /nfs/dbraw/zinc/26/30/73/1311263073.db2.gz OYIPNXMDZKJDAK-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223465570 1311263916 /nfs/dbraw/zinc/26/39/16/1311263916.db2.gz JCNWEMHKUFZQBN-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223471857 1311264820 /nfs/dbraw/zinc/26/48/20/1311264820.db2.gz GNKCJPZKXOMHPF-KRWDZBQOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001223471853 1311265111 /nfs/dbraw/zinc/26/51/11/1311265111.db2.gz GKRUACRLCQICCR-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3CC(C)(C)C3)CC2)CCC1 ZINC001223471871 1311265266 /nfs/dbraw/zinc/26/52/66/1311265266.db2.gz GSSHVJUPUWCJRR-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN(C)C3CCC3)CC2)cs1 ZINC001223495394 1311268587 /nfs/dbraw/zinc/26/85/87/1311268587.db2.gz MVWGOGSWWHWXJF-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001223524370 1311272348 /nfs/dbraw/zinc/27/23/48/1311272348.db2.gz FKRKRGOVLBRSOE-FQEVSTJZSA-N 1 3 345.531 2.909 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001223653634 1311287542 /nfs/dbraw/zinc/28/75/42/1311287542.db2.gz COPGJGSSTAYMDQ-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC1CCN(Cc2cccc(F)c2)CC1 ZINC001223653634 1311287547 /nfs/dbraw/zinc/28/75/47/1311287547.db2.gz COPGJGSSTAYMDQ-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CCC(CC)C[NH+]1CCC(CNC(=O)C(C)(C)N(C)CC)CC1 ZINC001223655376 1311287843 /nfs/dbraw/zinc/28/78/43/1311287843.db2.gz WUJYUIVECRDVSN-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372711 1311305632 /nfs/dbraw/zinc/30/56/32/1311305632.db2.gz LMZWCLCKIIRLHP-GPMSIDNRSA-N 1 3 341.515 2.539 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372711 1311305633 /nfs/dbraw/zinc/30/56/33/1311305633.db2.gz LMZWCLCKIIRLHP-GPMSIDNRSA-N 1 3 341.515 2.539 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001102525087 1311315678 /nfs/dbraw/zinc/31/56/78/1311315678.db2.gz KMKGBFBKJFROBF-YVWKXTFCSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001102525087 1311315680 /nfs/dbraw/zinc/31/56/80/1311315680.db2.gz KMKGBFBKJFROBF-YVWKXTFCSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001102525364 1311315803 /nfs/dbraw/zinc/31/58/03/1311315803.db2.gz YQARZQKHNSMNRJ-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C ZINC001102525364 1311315807 /nfs/dbraw/zinc/31/58/07/1311315807.db2.gz YQARZQKHNSMNRJ-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001102525086 1311316116 /nfs/dbraw/zinc/31/61/16/1311316116.db2.gz KMKGBFBKJFROBF-POAQFYNOSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001102525086 1311316121 /nfs/dbraw/zinc/31/61/21/1311316121.db2.gz KMKGBFBKJFROBF-POAQFYNOSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001102525360 1311316517 /nfs/dbraw/zinc/31/65/17/1311316517.db2.gz YMGAXLFWJPTMLV-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001102525360 1311316521 /nfs/dbraw/zinc/31/65/21/1311316521.db2.gz YMGAXLFWJPTMLV-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524997 1311316597 /nfs/dbraw/zinc/31/65/97/1311316597.db2.gz HGYAZQLHWOXVSP-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102524997 1311316601 /nfs/dbraw/zinc/31/66/01/1311316601.db2.gz HGYAZQLHWOXVSP-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911248 1311320531 /nfs/dbraw/zinc/32/05/31/1311320531.db2.gz BROBTEZRACVOHI-DJAVDHGHSA-N 1 3 344.503 2.966 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC001223911248 1311320532 /nfs/dbraw/zinc/32/05/32/1311320532.db2.gz BROBTEZRACVOHI-DJAVDHGHSA-N 1 3 344.503 2.966 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001223962015 1311326165 /nfs/dbraw/zinc/32/61/65/1311326165.db2.gz GIWKIBJEWAMFLQ-CABCVRRESA-N 1 3 349.441 2.594 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(CCC(F)(F)F)[C@H]2C1 ZINC001223962015 1311326168 /nfs/dbraw/zinc/32/61/68/1311326168.db2.gz GIWKIBJEWAMFLQ-CABCVRRESA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)(C(=O)NCC1CCN(CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC001224024973 1311333093 /nfs/dbraw/zinc/33/30/93/1311333093.db2.gz RJLGJCAMEQJVGV-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047974634 1311342321 /nfs/dbraw/zinc/34/23/21/1311342321.db2.gz DWIZBMOJDLKSOD-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047991184 1311356421 /nfs/dbraw/zinc/35/64/21/1311356421.db2.gz ZNTHKQJEOFWGII-YJBOKZPZSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224356781 1311380317 /nfs/dbraw/zinc/38/03/17/1311380317.db2.gz WARUTDLSHJRCMD-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1)N(C)C ZINC001224426060 1311389588 /nfs/dbraw/zinc/38/95/88/1311389588.db2.gz FHALLTJPJIAMCE-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224536686 1311404789 /nfs/dbraw/zinc/40/47/89/1311404789.db2.gz NIEJJZFWSCXJNK-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001224558644 1311406688 /nfs/dbraw/zinc/40/66/88/1311406688.db2.gz IIABVGDWAOBWKE-OAHLLOKOSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001224559422 1311407177 /nfs/dbraw/zinc/40/71/77/1311407177.db2.gz NLWCELQUKQKQDO-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224558867 1311407212 /nfs/dbraw/zinc/40/72/12/1311407212.db2.gz JYBBPIBSGHBGNE-ROUUACIJSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001224560069 1311407510 /nfs/dbraw/zinc/40/75/10/1311407510.db2.gz SGWZWJPTBKTUFC-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO CCC/C=C/CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560498 1311407588 /nfs/dbraw/zinc/40/75/88/1311407588.db2.gz VFZQYWQZXAVKMV-QWNKOJSDSA-N 1 3 335.536 2.903 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001224583314 1311410952 /nfs/dbraw/zinc/41/09/52/1311410952.db2.gz PWQRUABDUFOGDQ-SFHVURJKSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048062100 1311420563 /nfs/dbraw/zinc/42/05/63/1311420563.db2.gz BUJKHDZOWAVFJS-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048065221 1311424392 /nfs/dbraw/zinc/42/43/92/1311424392.db2.gz KMMBYSLSRKAXCL-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067111 1311426018 /nfs/dbraw/zinc/42/60/18/1311426018.db2.gz RNCPVPRGDBNRRF-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO N[C@H](C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1)C1CCCCC1 ZINC001158967731 1311426652 /nfs/dbraw/zinc/42/66/52/1311426652.db2.gz DCFFYNBCXLVHCX-SFHVURJKSA-N 1 3 333.520 2.761 20 0 EFADHO N[C@H](C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1)C1CCCCC1 ZINC001158967731 1311426653 /nfs/dbraw/zinc/42/66/53/1311426653.db2.gz DCFFYNBCXLVHCX-SFHVURJKSA-N 1 3 333.520 2.761 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048068589 1311427402 /nfs/dbraw/zinc/42/74/02/1311427402.db2.gz WWDGHAHYHFRDFK-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001224904527 1311449205 /nfs/dbraw/zinc/44/92/05/1311449205.db2.gz PLYRUWAQBYVHDP-DHZHZOJOSA-N 1 3 343.515 2.870 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001224910593 1311449241 /nfs/dbraw/zinc/44/92/41/1311449241.db2.gz AYOVWTVIVPBWLS-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001224911350 1311449846 /nfs/dbraw/zinc/44/98/46/1311449846.db2.gz MGGPEUJDVJMQMF-KRWDZBQOSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001224911352 1311450040 /nfs/dbraw/zinc/45/00/40/1311450040.db2.gz MGGPEUJDVJMQMF-QGZVFWFLSA-N 1 3 325.541 2.839 20 0 EFADHO c1ccc(CN2CCC=C(Nc3ccc(N4CC[NH2+]CC4)nc3)C2)cc1 ZINC001159163706 1311463973 /nfs/dbraw/zinc/46/39/73/1311463973.db2.gz BUXHVOPCCZJVNR-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1CCN(Cc2ccsc2)CC1 ZINC001225206962 1311489773 /nfs/dbraw/zinc/48/97/73/1311489773.db2.gz MBGQZUIIITVXJK-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001225228222 1311492354 /nfs/dbraw/zinc/49/23/54/1311492354.db2.gz HRNZQAFXTGREAQ-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001225228234 1311492366 /nfs/dbraw/zinc/49/23/66/1311492366.db2.gz IFYVLFPBIKFAOH-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001225251322 1311494868 /nfs/dbraw/zinc/49/48/68/1311494868.db2.gz CBIDSJIKSMTQMI-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001225251679 1311495374 /nfs/dbraw/zinc/49/53/74/1311495374.db2.gz GAVOTZCQQWDRMQ-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001225252543 1311495693 /nfs/dbraw/zinc/49/56/93/1311495693.db2.gz QTWZGXPYDAZPED-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014401990 1311498125 /nfs/dbraw/zinc/49/81/25/1311498125.db2.gz VHVQEBUCGFEOKY-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014401990 1311498130 /nfs/dbraw/zinc/49/81/30/1311498130.db2.gz VHVQEBUCGFEOKY-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001225278523 1311499872 /nfs/dbraw/zinc/49/98/72/1311499872.db2.gz SKHTUMHDOQONEE-UHFFFAOYSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001225285714 1311501188 /nfs/dbraw/zinc/50/11/88/1311501188.db2.gz PQLNNURAWPOOJW-HNNXBMFYSA-N 1 3 334.508 2.771 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001014409812 1311502215 /nfs/dbraw/zinc/50/22/15/1311502215.db2.gz RZGRRJNNPWUIGP-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001014409812 1311502219 /nfs/dbraw/zinc/50/22/19/1311502219.db2.gz RZGRRJNNPWUIGP-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@H](Nc1nc(N2CCCC2)cc2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001159502174 1311528489 /nfs/dbraw/zinc/52/84/89/1311528489.db2.gz LOXYEDFEHHUGRP-YOEHRIQHSA-N 1 3 326.444 2.624 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482497 1311537984 /nfs/dbraw/zinc/53/79/84/1311537984.db2.gz GSYDBVYKMMRJPE-YVWKXTFCSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001014482497 1311537986 /nfs/dbraw/zinc/53/79/86/1311537986.db2.gz GSYDBVYKMMRJPE-YVWKXTFCSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001014484203 1311538908 /nfs/dbraw/zinc/53/89/08/1311538908.db2.gz QGIOJZDJKRGDNO-AYOQOUSVSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001014484203 1311538912 /nfs/dbraw/zinc/53/89/12/1311538912.db2.gz QGIOJZDJKRGDNO-AYOQOUSVSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225541348 1311540105 /nfs/dbraw/zinc/54/01/05/1311540105.db2.gz APEZPHPHOBWMCW-CALCHBBNSA-N 1 3 341.515 2.827 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCC1CCN(Cc2ccsc2)CC1 ZINC001225557351 1311542515 /nfs/dbraw/zinc/54/25/15/1311542515.db2.gz LROITWYEEOUABT-UHFFFAOYSA-N 1 3 349.544 2.952 20 0 EFADHO C[NH+]1CCC(NC(=O)[C@@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC001277054889 1311543747 /nfs/dbraw/zinc/54/37/47/1311543747.db2.gz NKYHMFICGRGMQT-KRWDZBQOSA-N 1 3 347.528 2.561 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001014501851 1311546101 /nfs/dbraw/zinc/54/61/01/1311546101.db2.gz KWMSBHDVUJWLIY-OKZBNKHCSA-N 1 3 349.544 2.786 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001014501851 1311546104 /nfs/dbraw/zinc/54/61/04/1311546104.db2.gz KWMSBHDVUJWLIY-OKZBNKHCSA-N 1 3 349.544 2.786 20 0 EFADHO CCc1cccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001225577870 1311546696 /nfs/dbraw/zinc/54/66/96/1311546696.db2.gz MCPUGGRSRWOEHY-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001225577398 1311546851 /nfs/dbraw/zinc/54/68/51/1311546851.db2.gz FWUTUJIDFCTVFL-UHFFFAOYSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001225578582 1311546870 /nfs/dbraw/zinc/54/68/70/1311546870.db2.gz YGAVEKRQFTUOQM-MSOLQXFVSA-N 1 3 341.515 2.683 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225577754 1311546912 /nfs/dbraw/zinc/54/69/12/1311546912.db2.gz IIRLXVQJCIVHCA-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001014506896 1311548968 /nfs/dbraw/zinc/54/89/68/1311548968.db2.gz IFCVETPMUWDJHX-FGTMMUONSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001014506896 1311548973 /nfs/dbraw/zinc/54/89/73/1311548973.db2.gz IFCVETPMUWDJHX-FGTMMUONSA-N 1 3 349.544 2.602 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2ccc(C3CC3)cc2)CCC1 ZINC001159854827 1311597578 /nfs/dbraw/zinc/59/75/78/1311597578.db2.gz UBICDODVUTWWNS-UHFFFAOYSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1ccc(CCC[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159854972 1311597604 /nfs/dbraw/zinc/59/76/04/1311597604.db2.gz YFMJWJSUQWCKCA-UHFFFAOYSA-N 1 3 331.504 2.508 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]C/C=C\c2ccc(Cl)cc2)CCC1 ZINC001159854764 1311597646 /nfs/dbraw/zinc/59/76/46/1311597646.db2.gz SPMFLGALGBHREF-UTCJRWHESA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1Cl ZINC001159861392 1311598460 /nfs/dbraw/zinc/59/84/60/1311598460.db2.gz OQSWDASCUKEBID-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCCc3ccccc32)CCC1 ZINC001159861380 1311598903 /nfs/dbraw/zinc/59/89/03/1311598903.db2.gz OMJKAQFKIITWMQ-GOSISDBHSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001159862179 1311599602 /nfs/dbraw/zinc/59/96/02/1311599602.db2.gz YSVXGRWNXPHNTD-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048255169 1311607203 /nfs/dbraw/zinc/60/72/03/1311607203.db2.gz HWYBOFNNWFIIHE-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)C1CC1 ZINC001159925103 1311610380 /nfs/dbraw/zinc/61/03/80/1311610380.db2.gz PHYXPHNZWCQDGE-INIZCTEOSA-N 1 3 339.430 2.560 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001159931660 1311611549 /nfs/dbraw/zinc/61/15/49/1311611549.db2.gz HSDUAEQDLNQKHC-QFBILLFUSA-N 1 3 331.504 2.801 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001159931456 1311611719 /nfs/dbraw/zinc/61/17/19/1311611719.db2.gz CXNXFMMMLBYXTC-MOPGFXCFSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc2c(c1)CCC2 ZINC001159997302 1311626344 /nfs/dbraw/zinc/62/63/44/1311626344.db2.gz KVRMDFYZUSFRSX-MRXNPFEDSA-N 1 3 343.515 2.817 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001159997326 1311626440 /nfs/dbraw/zinc/62/64/40/1311626440.db2.gz LVNCSETWBQTAQE-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc2ccccc21)C1CCC1 ZINC001159997022 1311626555 /nfs/dbraw/zinc/62/65/55/1311626555.db2.gz BHVWYFTUQVWWQI-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997294 1311626747 /nfs/dbraw/zinc/62/67/47/1311626747.db2.gz KOPXXRXRHLSWSD-UHFFFAOYSA-N 1 3 346.519 2.594 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cc(F)ccc1F ZINC001160003680 1311627269 /nfs/dbraw/zinc/62/72/69/1311627269.db2.gz ZRWSIZXRFVHPPY-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048276043 1311628744 /nfs/dbraw/zinc/62/87/44/1311628744.db2.gz FAPZMLCXAZJGRR-AEFFLSMTSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048278806 1311632175 /nfs/dbraw/zinc/63/21/75/1311632175.db2.gz CXDUIEYYMOTLMX-AEFFLSMTSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001048282185 1311634628 /nfs/dbraw/zinc/63/46/28/1311634628.db2.gz XVRSTBVMGALHMC-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO CN1CCc2nc(Cl)nc(-n3c(CC[NH3+])cc4ccccc43)c2C1 ZINC001160131923 1311651419 /nfs/dbraw/zinc/65/14/19/1311651419.db2.gz VCDQCDAIVIWPKB-UHFFFAOYSA-N 1 3 341.846 2.563 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001014699590 1311672286 /nfs/dbraw/zinc/67/22/86/1311672286.db2.gz DEESUCJNGCXYEC-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001014699590 1311672290 /nfs/dbraw/zinc/67/22/90/1311672290.db2.gz DEESUCJNGCXYEC-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001014718409 1311684256 /nfs/dbraw/zinc/68/42/56/1311684256.db2.gz XOUNNHUQYICCQL-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)cc1 ZINC001014718409 1311684260 /nfs/dbraw/zinc/68/42/60/1311684260.db2.gz XOUNNHUQYICCQL-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001014721763 1311687830 /nfs/dbraw/zinc/68/78/30/1311687830.db2.gz KOTPLMOTJHMGPF-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001014721763 1311687836 /nfs/dbraw/zinc/68/78/36/1311687836.db2.gz KOTPLMOTJHMGPF-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001014724628 1311691323 /nfs/dbraw/zinc/69/13/23/1311691323.db2.gz VZONDRXTIANLBA-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001014724628 1311691326 /nfs/dbraw/zinc/69/13/26/1311691326.db2.gz VZONDRXTIANLBA-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000902383129 1311693574 /nfs/dbraw/zinc/69/35/74/1311693574.db2.gz CSWWAJDKKKCAEZ-OALUTQOASA-N 1 3 343.515 2.588 20 0 EFADHO C[NH+](C)[C@H](C(=O)NCCC1=CCN(Cc2ccsc2)CC1)C1CC1 ZINC001160360580 1311696899 /nfs/dbraw/zinc/69/68/99/1311696899.db2.gz QXJLBVSONRTCDT-SFHVURJKSA-N 1 3 347.528 2.727 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC001160360941 1311697063 /nfs/dbraw/zinc/69/70/63/1311697063.db2.gz ZSNOUKUQYLWGTH-UHFFFAOYSA-N 1 3 341.499 2.809 20 0 EFADHO CN(C)C1(C(=O)NCCC2=CC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001160360941 1311697065 /nfs/dbraw/zinc/69/70/65/1311697065.db2.gz ZSNOUKUQYLWGTH-UHFFFAOYSA-N 1 3 341.499 2.809 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)C1CC1 ZINC001160360937 1311697190 /nfs/dbraw/zinc/69/71/90/1311697190.db2.gz ZOGBGSYARSMMPS-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)C1CC1 ZINC001160360937 1311697193 /nfs/dbraw/zinc/69/71/93/1311697193.db2.gz ZOGBGSYARSMMPS-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001160427775 1311707293 /nfs/dbraw/zinc/70/72/93/1311707293.db2.gz SZJJBBQFESFYCJ-UZLBHIALSA-N 1 3 345.531 2.918 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)N(C)C ZINC001160426148 1311707381 /nfs/dbraw/zinc/70/73/81/1311707381.db2.gz DXRXLETVPPNADH-QUCCMNQESA-N 1 3 345.531 2.789 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160426150 1311707644 /nfs/dbraw/zinc/70/76/44/1311707644.db2.gz DYOFKPAJTRZZRY-IBGZPJMESA-N 1 3 333.520 2.821 20 0 EFADHO CN(C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2)C(C)(C)C ZINC001160428412 1311707898 /nfs/dbraw/zinc/70/78/98/1311707898.db2.gz UDMQPTRUXJPSHH-WIYYLYMNSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096348322 1311714180 /nfs/dbraw/zinc/71/41/80/1311714180.db2.gz KBXJUZMNZXXSPW-RNQOJCNYSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001096348322 1311714185 /nfs/dbraw/zinc/71/41/85/1311714185.db2.gz KBXJUZMNZXXSPW-RNQOJCNYSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001226774106 1311721203 /nfs/dbraw/zinc/72/12/03/1311721203.db2.gz KCPJGNGLIDGCKN-AQNXPRMDSA-N 1 3 343.515 2.852 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001226791710 1311724272 /nfs/dbraw/zinc/72/42/72/1311724272.db2.gz LPGLBWUSJPTNGW-HUUCEWRRSA-N 1 3 343.462 2.533 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccsc2)CCC1 ZINC001226790540 1311724339 /nfs/dbraw/zinc/72/43/39/1311724339.db2.gz DZNZBIMIXQCGIS-HZPDHXFCSA-N 1 3 335.517 2.749 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)cs1 ZINC001226801468 1311725898 /nfs/dbraw/zinc/72/58/98/1311725898.db2.gz YETYEMFVMKTGQI-KURKYZTESA-N 1 3 349.544 2.914 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048388840 1311733962 /nfs/dbraw/zinc/73/39/62/1311733962.db2.gz XZXMZBKBBLSAAH-FUHWJXTLSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001226931816 1311743125 /nfs/dbraw/zinc/74/31/25/1311743125.db2.gz BIAKQMJCZXFNDB-QRVBRYPASA-N 1 3 349.494 2.929 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048415272 1311753682 /nfs/dbraw/zinc/75/36/82/1311753682.db2.gz AUPFKIRCXHHAGC-HKUYNNGSSA-N 1 3 335.536 2.593 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC001227090079 1311760128 /nfs/dbraw/zinc/76/01/28/1311760128.db2.gz DETLMEPYRLTEBG-XUNCZOGOSA-N 1 3 348.318 2.807 20 0 EFADHO CC(C)(C)NC(=O)[C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001277183491 1311766646 /nfs/dbraw/zinc/76/66/46/1311766646.db2.gz OJLRRNQOAUVBRI-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000902478967 1311777772 /nfs/dbraw/zinc/77/77/72/1311777772.db2.gz ZGCFVRHOTNPUGL-HXUWFJFHSA-N 1 3 339.483 2.975 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000902478967 1311777774 /nfs/dbraw/zinc/77/77/74/1311777774.db2.gz ZGCFVRHOTNPUGL-HXUWFJFHSA-N 1 3 339.483 2.975 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001160882955 1311802386 /nfs/dbraw/zinc/80/23/86/1311802386.db2.gz CDPQPLMPGNNCFX-ZWKOTPCHSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001160882971 1311802502 /nfs/dbraw/zinc/80/25/02/1311802502.db2.gz CODUXKLKXWESPD-GOSISDBHSA-N 1 3 333.520 2.920 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001160883645 1311803317 /nfs/dbraw/zinc/80/33/17/1311803317.db2.gz RIZQJBIKDIBYEA-QQOXCAACSA-N 1 3 337.895 2.789 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(C(F)(F)F)c1)N(C)C ZINC001160889651 1311803684 /nfs/dbraw/zinc/80/36/84/1311803684.db2.gz NNTRBBCZKINKHA-OAHLLOKOSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048479638 1311810219 /nfs/dbraw/zinc/81/02/19/1311810219.db2.gz OOCUYVJFJJEECP-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160956410 1311821036 /nfs/dbraw/zinc/82/10/36/1311821036.db2.gz MHVHPCBTSROILI-UMGGQSCQSA-N 1 3 343.515 2.744 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227661808 1311836331 /nfs/dbraw/zinc/83/63/31/1311836331.db2.gz LFXKVMVWANLMOZ-QGZVFWFLSA-N 1 3 327.488 2.581 20 0 EFADHO C[N@H+](CCC(=O)N[C@@H]1CCCC[C@H]1NCCF)C1CCCCC1 ZINC001227734652 1311847392 /nfs/dbraw/zinc/84/73/92/1311847392.db2.gz RUQGBMLFFABFJX-IAGOWNOFSA-N 1 3 327.488 2.628 20 0 EFADHO C[N@@H+](CCC(=O)N[C@@H]1CCCC[C@H]1NCCF)C1CCCCC1 ZINC001227734652 1311847395 /nfs/dbraw/zinc/84/73/95/1311847395.db2.gz RUQGBMLFFABFJX-IAGOWNOFSA-N 1 3 327.488 2.628 20 0 EFADHO C[NH+](C)CCC(=O)NCCC1=CCN(CCCCC(F)(F)F)CC1 ZINC001161091015 1311856451 /nfs/dbraw/zinc/85/64/51/1311856451.db2.gz ZNOOMZTWEMELOF-UHFFFAOYSA-N 1 3 349.441 2.809 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC001227796835 1311857535 /nfs/dbraw/zinc/85/75/35/1311857535.db2.gz BMMSAMJBVKRCKK-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227798446 1311858057 /nfs/dbraw/zinc/85/80/57/1311858057.db2.gz YVWTXDANCSLVTI-LIRRHRJNSA-N 1 3 347.478 2.808 20 0 EFADHO CC1CCC(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC001227807017 1311859167 /nfs/dbraw/zinc/85/91/67/1311859167.db2.gz KUPKDWLOASKKJT-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)cc1C ZINC001227818315 1311860622 /nfs/dbraw/zinc/86/06/22/1311860622.db2.gz UVRKHIGYNOTGKB-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227817096 1311860768 /nfs/dbraw/zinc/86/07/68/1311860768.db2.gz JPBHJWPTTFLKMT-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1)N(C)C ZINC001227979411 1311883008 /nfs/dbraw/zinc/88/30/08/1311883008.db2.gz FEVVYYNXTZYYNQ-CQSZACIVSA-N 1 3 337.430 2.640 20 0 EFADHO CN(CCN(C)C(=O)C[C@@H]([NH3+])Cc1cccs1)Cc1ccccc1 ZINC001161159226 1311871242 /nfs/dbraw/zinc/87/12/42/1311871242.db2.gz YZSDWLPGXFDNTF-KRWDZBQOSA-N 1 3 345.512 2.598 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001227900782 1311871644 /nfs/dbraw/zinc/87/16/44/1311871644.db2.gz YREXDTKEMGSXIU-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001227900235 1311871890 /nfs/dbraw/zinc/87/18/90/1311871890.db2.gz RGVSLNWLGSFOJS-WMZOPIPTSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161390607 1311876775 /nfs/dbraw/zinc/87/67/75/1311876775.db2.gz IBGAAWPZRJTFJO-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161390607 1311876778 /nfs/dbraw/zinc/87/67/78/1311876778.db2.gz IBGAAWPZRJTFJO-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC001161413878 1311882729 /nfs/dbraw/zinc/88/27/29/1311882729.db2.gz RREZGJOTRYQJSL-OCCNTAHWSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2cccc(C)c2)CC1)N(C)C ZINC001227980696 1311883121 /nfs/dbraw/zinc/88/31/21/1311883121.db2.gz VNILGFLSWUAYRH-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2ccsc2)CC1)N(C)C ZINC001227980168 1311883251 /nfs/dbraw/zinc/88/32/51/1311883251.db2.gz PGQRIUDLCYZSRI-QGZVFWFLSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015053427 1311883493 /nfs/dbraw/zinc/88/34/93/1311883493.db2.gz QZHMVRJMXRSAGP-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015053427 1311883496 /nfs/dbraw/zinc/88/34/96/1311883496.db2.gz QZHMVRJMXRSAGP-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015054146 1311884064 /nfs/dbraw/zinc/88/40/64/1311884064.db2.gz UVQMENXOSNSPHV-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015054146 1311884069 /nfs/dbraw/zinc/88/40/69/1311884069.db2.gz UVQMENXOSNSPHV-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1)N(C)C ZINC001227987133 1311884926 /nfs/dbraw/zinc/88/49/26/1311884926.db2.gz SPHFPDSUXZJXFH-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC001227987443 1311884932 /nfs/dbraw/zinc/88/49/32/1311884932.db2.gz ZOEXECZZVZQJGW-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC001227986731 1311885028 /nfs/dbraw/zinc/88/50/28/1311885028.db2.gz LHHZCBFQOORRHL-DNVCBOLYSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001161436544 1311889137 /nfs/dbraw/zinc/88/91/37/1311889137.db2.gz LAKTZRCRPLVEFW-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161444176 1311890576 /nfs/dbraw/zinc/89/05/76/1311890576.db2.gz DLTIREMFCOHYEZ-YDZRNGNQSA-N 1 3 337.552 2.837 20 0 EFADHO CCC1(C(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001161449331 1311892195 /nfs/dbraw/zinc/89/21/95/1311892195.db2.gz LUNZLOXZFFEOQJ-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CN(C)CCN(C(=O)c1cccc(C(C)(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001161449737 1311892517 /nfs/dbraw/zinc/89/25/17/1311892517.db2.gz RALLGMIZVOWVIU-SFHVURJKSA-N 1 3 331.504 2.740 20 0 EFADHO CN(C)CCN(C(=O)c1cc2ccccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001161453072 1311893408 /nfs/dbraw/zinc/89/34/08/1311893408.db2.gz YEXDVKCMXNFEFV-OAHLLOKOSA-N 1 3 331.485 2.657 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091017 1311905296 /nfs/dbraw/zinc/90/52/96/1311905296.db2.gz SVIPCGBVGIKYGX-GOSISDBHSA-N 1 3 341.499 2.622 20 0 EFADHO [NH3+]C1(CC2CCC2)CCN(c2cc(Cl)nc3c2CCNC3)CC1 ZINC001161576571 1311920442 /nfs/dbraw/zinc/92/04/42/1311920442.db2.gz PPMIQYPFZJEOJO-UHFFFAOYSA-N 1 3 334.895 2.869 20 0 EFADHO O=C(C1CC[NH+](C2CCN(CC3CCC3)CC2)CC1)N1CCCCO1 ZINC001277304082 1311954884 /nfs/dbraw/zinc/95/48/84/1311954884.db2.gz RAZDZXABIAJGNZ-UHFFFAOYSA-N 1 3 349.519 2.517 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001161755137 1311965704 /nfs/dbraw/zinc/96/57/04/1311965704.db2.gz NEQXUMKBQNQPRI-UHFFFAOYSA-N 1 3 343.462 2.512 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001161755137 1311965706 /nfs/dbraw/zinc/96/57/06/1311965706.db2.gz NEQXUMKBQNQPRI-UHFFFAOYSA-N 1 3 343.462 2.512 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001161784699 1311971899 /nfs/dbraw/zinc/97/18/99/1311971899.db2.gz HWPSBQUPQDDACJ-UHFFFAOYSA-N 1 3 330.476 2.589 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001161784699 1311971904 /nfs/dbraw/zinc/97/19/04/1311971904.db2.gz HWPSBQUPQDDACJ-UHFFFAOYSA-N 1 3 330.476 2.589 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001228623596 1311971939 /nfs/dbraw/zinc/97/19/39/1311971939.db2.gz FMBZFRFBHWNRBY-QZTJIDSGSA-N 1 3 346.519 2.577 20 0 EFADHO CC/C=C\CC[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785863 1311972148 /nfs/dbraw/zinc/97/21/48/1311972148.db2.gz UIXHQSLNGAJVQF-PLNGDYQASA-N 1 3 330.476 2.755 20 0 EFADHO CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785863 1311972152 /nfs/dbraw/zinc/97/21/52/1311972152.db2.gz UIXHQSLNGAJVQF-PLNGDYQASA-N 1 3 330.476 2.755 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646640 1311975135 /nfs/dbraw/zinc/97/51/35/1311975135.db2.gz JCCHWPKUCOSMAI-ARFHVFGLSA-N 1 3 329.504 2.729 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228646903 1311975149 /nfs/dbraw/zinc/97/51/49/1311975149.db2.gz LPVKFAGMVHPCTE-BZUAXINKSA-N 1 3 329.504 2.729 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001228646873 1311975350 /nfs/dbraw/zinc/97/53/50/1311975350.db2.gz LAUJJTVDXYHQAT-QRVBRYPASA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C)N(C)C ZINC001228661459 1311977740 /nfs/dbraw/zinc/97/77/40/1311977740.db2.gz VANZMJUORPPHMI-QRVBRYPASA-N 1 3 331.504 2.852 20 0 EFADHO O=C(CN1CCCC1)NCCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001161879583 1311992961 /nfs/dbraw/zinc/99/29/61/1311992961.db2.gz POTXAVSQGJBYOT-UHFFFAOYSA-N 1 3 331.504 2.721 20 0 EFADHO O=C(CN1CCCC1)NCCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001161879583 1311992963 /nfs/dbraw/zinc/99/29/63/1311992963.db2.gz POTXAVSQGJBYOT-UHFFFAOYSA-N 1 3 331.504 2.721 20 0 EFADHO Cc1ccc(C[N@H+]2CC=C(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001161942219 1312009692 /nfs/dbraw/zinc/00/96/92/1312009692.db2.gz AAOOCMHEGAFFSS-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO Cc1ccc(C[N@@H+]2CC=C(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001161942219 1312009695 /nfs/dbraw/zinc/00/96/95/1312009695.db2.gz AAOOCMHEGAFFSS-UHFFFAOYSA-N 1 3 343.515 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001161953402 1312012416 /nfs/dbraw/zinc/01/24/16/1312012416.db2.gz UREHJSIBOBXUJD-IBGZPJMESA-N 1 3 333.520 2.965 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001161953402 1312012419 /nfs/dbraw/zinc/01/24/19/1312012419.db2.gz UREHJSIBOBXUJD-IBGZPJMESA-N 1 3 333.520 2.965 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001228879743 1312014364 /nfs/dbraw/zinc/01/43/64/1312014364.db2.gz VDBHOYJIUWCHOW-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO COc1cccc([C@H](C)N2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001228904403 1312017997 /nfs/dbraw/zinc/01/79/97/1312017997.db2.gz DDTYUUHQPJAWQM-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO NCc1cc(NCC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)ncn1 ZINC001161992809 1312023905 /nfs/dbraw/zinc/02/39/05/1312023905.db2.gz ZGVTZDBRSLLAQY-UHFFFAOYSA-N 1 3 345.878 2.613 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@H]2CCCc3ccc(F)cc32)CC1 ZINC001228998296 1312033773 /nfs/dbraw/zinc/03/37/73/1312033773.db2.gz DBYOCSQEALBADA-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCCCC(F)(F)F)CC2)C1 ZINC001229185285 1312058935 /nfs/dbraw/zinc/05/89/35/1312058935.db2.gz KSGAIBUYDWLODD-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)CCC[NH+]1CCC(NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001229214723 1312062537 /nfs/dbraw/zinc/06/25/37/1312062537.db2.gz KVQXVZDCKVYLET-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1)CC(C)(C)C ZINC001229214206 1312062743 /nfs/dbraw/zinc/06/27/43/1312062743.db2.gz DJMDLWMYEFZKLA-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001229222561 1312063962 /nfs/dbraw/zinc/06/39/62/1312063962.db2.gz AJSDUNFLRQJYKJ-SFHVURJKSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001229253851 1312068139 /nfs/dbraw/zinc/06/81/39/1312068139.db2.gz LITHXQZMXOVHAD-RBUKOAKNSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001229254106 1312068158 /nfs/dbraw/zinc/06/81/58/1312068158.db2.gz PQIKXXHEXOGMLC-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC001229254886 1312068395 /nfs/dbraw/zinc/06/83/95/1312068395.db2.gz ZOEXECZZVZQJGW-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1)N(C)C ZINC001229254360 1312068510 /nfs/dbraw/zinc/06/85/10/1312068510.db2.gz RGSDKCHVCDNPGD-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001015388297 1312089762 /nfs/dbraw/zinc/08/97/62/1312089762.db2.gz OYGFGVBTHAAPBE-RBUKOAKNSA-N 1 3 331.504 2.552 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902833265 1312141723 /nfs/dbraw/zinc/14/17/23/1312141723.db2.gz YPPKNSHFOXUSJX-CYBMUJFWSA-N 1 3 344.425 2.777 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001229868430 1312151658 /nfs/dbraw/zinc/15/16/58/1312151658.db2.gz GDRNEFOATOWNEK-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001015497136 1312152532 /nfs/dbraw/zinc/15/25/32/1312152532.db2.gz ARVPBYPSWBVLJR-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)N1CCCC1 ZINC001015497136 1312152536 /nfs/dbraw/zinc/15/25/36/1312152536.db2.gz ARVPBYPSWBVLJR-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015503545 1312156245 /nfs/dbraw/zinc/15/62/45/1312156245.db2.gz KHUQRLOWWHCYRO-AEFFLSMTSA-N 1 3 329.488 2.813 20 0 EFADHO C[NH+](C)[C@@](C)(C(=O)NC1CCN(C/C=C/Cl)CC1)c1ccccc1 ZINC001229998890 1312167831 /nfs/dbraw/zinc/16/78/31/1312167831.db2.gz FINBZPRKTWEPKH-LKQLOZHYSA-N 1 3 349.906 2.797 20 0 EFADHO C[NH+](C)[C@](C)(C(=O)NC1CCN(C/C=C\Cl)CC1)c1ccccc1 ZINC001229998888 1312167925 /nfs/dbraw/zinc/16/79/25/1312167925.db2.gz FINBZPRKTWEPKH-DIBVOSKASA-N 1 3 349.906 2.797 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(CCCCC(F)(F)F)CC2)C1 ZINC001230034340 1312175203 /nfs/dbraw/zinc/17/52/03/1312175203.db2.gz JHYRSYKAIVRXES-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(CCCCC(F)(F)F)CC2)C1 ZINC001230034340 1312175205 /nfs/dbraw/zinc/17/52/05/1312175205.db2.gz JHYRSYKAIVRXES-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO C[NH+](C)CCCCC(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001230090422 1312184919 /nfs/dbraw/zinc/18/49/19/1312184919.db2.gz KFRQTSZQDVTRCN-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C1CCC1 ZINC001162832001 1312186276 /nfs/dbraw/zinc/18/62/76/1312186276.db2.gz GLMIKXKZAZUGJH-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001230101632 1312186663 /nfs/dbraw/zinc/18/66/63/1312186663.db2.gz WBQJAGPPMMJTQL-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(OC)cc2)CC1 ZINC001230101632 1312186666 /nfs/dbraw/zinc/18/66/66/1312186666.db2.gz WBQJAGPPMMJTQL-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001230112862 1312188851 /nfs/dbraw/zinc/18/88/51/1312188851.db2.gz DIMYHHASAYDHCX-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC001230113105 1312189278 /nfs/dbraw/zinc/18/92/78/1312189278.db2.gz RLBCBONBFYWORE-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596963 1312204220 /nfs/dbraw/zinc/20/42/20/1312204220.db2.gz KUWVPXUARRSEGS-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)C1 ZINC001015596963 1312204224 /nfs/dbraw/zinc/20/42/24/1312204224.db2.gz KUWVPXUARRSEGS-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597074 1312205126 /nfs/dbraw/zinc/20/51/26/1312205126.db2.gz LOQPCELLGBAUDV-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597074 1312205130 /nfs/dbraw/zinc/20/51/30/1312205130.db2.gz LOQPCELLGBAUDV-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)C1CC1 ZINC001048863550 1312205626 /nfs/dbraw/zinc/20/56/26/1312205626.db2.gz GOJAONORAVPYPU-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)C1CC1 ZINC001048863550 1312205631 /nfs/dbraw/zinc/20/56/31/1312205631.db2.gz GOJAONORAVPYPU-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@H]1C ZINC001162928016 1312205737 /nfs/dbraw/zinc/20/57/37/1312205737.db2.gz AMOBVUFDGNBPFN-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864152 1312206229 /nfs/dbraw/zinc/20/62/29/1312206229.db2.gz FLZSIZISTOLRTF-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864152 1312206231 /nfs/dbraw/zinc/20/62/31/1312206231.db2.gz FLZSIZISTOLRTF-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](CC)N(C)C ZINC001162935404 1312206993 /nfs/dbraw/zinc/20/69/93/1312206993.db2.gz VVBCRDAZLPCFJO-IBGZPJMESA-N 1 3 333.520 2.788 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603781 1312209216 /nfs/dbraw/zinc/20/92/16/1312209216.db2.gz YGNZZPKNBQSGFA-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603781 1312209220 /nfs/dbraw/zinc/20/92/20/1312209220.db2.gz YGNZZPKNBQSGFA-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCF)c1 ZINC001230244023 1312210176 /nfs/dbraw/zinc/21/01/76/1312210176.db2.gz ZHHNVIOWZTVOMD-QZTJIDSGSA-N 1 3 335.467 2.738 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1C(C)C ZINC001162952106 1312210450 /nfs/dbraw/zinc/21/04/50/1312210450.db2.gz FPPDUYYDPSQORR-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605411 1312210840 /nfs/dbraw/zinc/21/08/40/1312210840.db2.gz MQIZFZUJEXQEPR-IHPCNDPISA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015605411 1312210842 /nfs/dbraw/zinc/21/08/42/1312210842.db2.gz MQIZFZUJEXQEPR-IHPCNDPISA-N 1 3 343.515 2.724 20 0 EFADHO CCN(CC)CC(=O)N(CC[NH2+]CCC1CC1)CCc1ccccc1 ZINC001162959984 1312212536 /nfs/dbraw/zinc/21/25/36/1312212536.db2.gz JFGRVFUUJKCKBJ-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001230274679 1312213931 /nfs/dbraw/zinc/21/39/31/1312213931.db2.gz FPLIJVRIRXVLLT-WOJBJXKFSA-N 1 3 345.531 2.976 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230284432 1312214961 /nfs/dbraw/zinc/21/49/61/1312214961.db2.gz FBNQFCKSBPYFGR-WOJBJXKFSA-N 1 3 345.531 2.895 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCCC1 ZINC001230284591 1312215048 /nfs/dbraw/zinc/21/50/48/1312215048.db2.gz MLULJHZZUUZIKI-KURKYZTESA-N 1 3 341.515 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCCC1 ZINC001230284592 1312215654 /nfs/dbraw/zinc/21/56/54/1312215654.db2.gz MLULJHZZUUZIKI-KZNAEPCWSA-N 1 3 341.515 2.874 20 0 EFADHO O[C@H](C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccccn1 ZINC001413058542 1312219562 /nfs/dbraw/zinc/21/95/62/1312219562.db2.gz ZFSTXFXDBLAKBT-SVFBPWRDSA-N 1 3 337.467 2.569 20 0 EFADHO O[C@H](C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)c1ccccn1 ZINC001413058542 1312219565 /nfs/dbraw/zinc/21/95/65/1312219565.db2.gz ZFSTXFXDBLAKBT-SVFBPWRDSA-N 1 3 337.467 2.569 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001163006252 1312224232 /nfs/dbraw/zinc/22/42/32/1312224232.db2.gz AXRXWOJQUOJTKO-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048887591 1312226089 /nfs/dbraw/zinc/22/60/89/1312226089.db2.gz CLYTXRHSWXFSRT-IYWMVGAKSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048887591 1312226091 /nfs/dbraw/zinc/22/60/91/1312226091.db2.gz CLYTXRHSWXFSRT-IYWMVGAKSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001048888777 1312227341 /nfs/dbraw/zinc/22/73/41/1312227341.db2.gz YEXMOHQEHLHING-VYCZESIESA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001048888777 1312227342 /nfs/dbraw/zinc/22/73/42/1312227342.db2.gz YEXMOHQEHLHING-VYCZESIESA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1)N(C)C ZINC001048890414 1312229910 /nfs/dbraw/zinc/22/99/10/1312229910.db2.gz GSVBRINVHVEVTK-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1)N(C)C ZINC001048890414 1312229911 /nfs/dbraw/zinc/22/99/11/1312229911.db2.gz GSVBRINVHVEVTK-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230367021 1312230164 /nfs/dbraw/zinc/23/01/64/1312230164.db2.gz OKCVURNFCUHHLG-KRWDZBQOSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230374088 1312231362 /nfs/dbraw/zinc/23/13/62/1312231362.db2.gz IMAYHVNBOYUIGH-QGZVFWFLSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(CCC[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230373943 1312231590 /nfs/dbraw/zinc/23/15/90/1312231590.db2.gz GEKZOTNCGGOAAL-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC001230374295 1312232210 /nfs/dbraw/zinc/23/22/10/1312232210.db2.gz NZGAZIMYORVUNG-UHFFFAOYSA-N 1 3 337.430 2.640 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2c(C)cccc12 ZINC001163125396 1312245320 /nfs/dbraw/zinc/24/53/20/1312245320.db2.gz BMUYNBUYWHBLFO-UHFFFAOYSA-N 1 3 334.855 2.870 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nccc2cc(OC)c(OC)cc21 ZINC001163125494 1312245729 /nfs/dbraw/zinc/24/57/29/1312245729.db2.gz CTGNJVZXFNALJO-UHFFFAOYSA-N 1 3 345.447 2.530 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1cc(-c2ccc(F)cc2)ncn1 ZINC001163128335 1312246638 /nfs/dbraw/zinc/24/66/38/1312246638.db2.gz GEDHTYXMAKGDQU-UHFFFAOYSA-N 1 3 330.411 2.561 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC1 ZINC001015654055 1312249795 /nfs/dbraw/zinc/24/97/95/1312249795.db2.gz UMDKTZAYLNGIQQ-FQEVSTJZSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001015654838 1312250797 /nfs/dbraw/zinc/25/07/97/1312250797.db2.gz GDIBZJJAMTXCBB-QFBILLFUSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1nc(N[C@H]2CNCc3ccsc32)cc([C@H]2CCC[NH2+]C2)n1 ZINC001163220884 1312266931 /nfs/dbraw/zinc/26/69/31/1312266931.db2.gz IXVWUONTZWQTSL-WFASDCNBSA-N 1 3 329.473 2.570 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230610677 1312282256 /nfs/dbraw/zinc/28/22/56/1312282256.db2.gz GPQNGHRIWCXCRK-XBMZPMPPSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230610677 1312282258 /nfs/dbraw/zinc/28/22/58/1312282258.db2.gz GPQNGHRIWCXCRK-XBMZPMPPSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001015695226 1312282471 /nfs/dbraw/zinc/28/24/71/1312282471.db2.gz GZAOSNSBIKZEKQ-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001015695226 1312282473 /nfs/dbraw/zinc/28/24/73/1312282473.db2.gz GZAOSNSBIKZEKQ-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO COc1cccc([C@H](C[NH3+])Nc2cc(Cl)nc3c2CCNC3)c1 ZINC001163309634 1312286441 /nfs/dbraw/zinc/28/64/41/1312286441.db2.gz NRVQDUPHOHCFKT-HNNXBMFYSA-N 1 3 332.835 2.501 20 0 EFADHO CN1CCCC[C@@H]1c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc1 ZINC001163312988 1312286855 /nfs/dbraw/zinc/28/68/55/1312286855.db2.gz ABIHYHFWKRSVFK-YQVWRLOYSA-N 1 3 330.476 2.561 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630377 1312290513 /nfs/dbraw/zinc/29/05/13/1312290513.db2.gz SEXINNVEXXAGRN-IBGZPJMESA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001230630377 1312290516 /nfs/dbraw/zinc/29/05/16/1312290516.db2.gz SEXINNVEXXAGRN-IBGZPJMESA-N 1 3 335.536 2.996 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705661 1312290661 /nfs/dbraw/zinc/29/06/61/1312290661.db2.gz NQWTZVSLILTKQC-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705661 1312290665 /nfs/dbraw/zinc/29/06/65/1312290665.db2.gz NQWTZVSLILTKQC-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C[C@H](C)O1 ZINC000903060356 1312317244 /nfs/dbraw/zinc/31/72/44/1312317244.db2.gz XFSCIVTUEKZCDB-VRZMBNGESA-N 1 3 335.536 2.622 20 0 EFADHO C[C@@H]1CN(C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C[C@H](C)O1 ZINC000903060356 1312317247 /nfs/dbraw/zinc/31/72/47/1312317247.db2.gz XFSCIVTUEKZCDB-VRZMBNGESA-N 1 3 335.536 2.622 20 0 EFADHO COC(=O)c1ccc([C@@H]([NH3+])CNc2cc(N3CCCC3)ccn2)cc1 ZINC001163467329 1312319119 /nfs/dbraw/zinc/31/91/19/1312319119.db2.gz OPFKFCUWTMDOPS-KRWDZBQOSA-N 1 3 340.427 2.580 20 0 EFADHO COc1ccc(OC)c(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903082385 1312336216 /nfs/dbraw/zinc/33/62/16/1312336216.db2.gz RDWVRZFLAQZCKZ-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO COc1ccc(OC)c(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903082385 1312336222 /nfs/dbraw/zinc/33/62/22/1312336222.db2.gz RDWVRZFLAQZCKZ-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c(OC)c1 ZINC000903084237 1312339505 /nfs/dbraw/zinc/33/95/05/1312339505.db2.gz VYHHXIXIPCHIEW-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c(OC)c1 ZINC000903084237 1312339509 /nfs/dbraw/zinc/33/95/09/1312339509.db2.gz VYHHXIXIPCHIEW-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1cccnc1 ZINC001230796340 1312346887 /nfs/dbraw/zinc/34/68/87/1312346887.db2.gz AINUQCNOFVUEJI-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1cccnc1 ZINC001230796340 1312346890 /nfs/dbraw/zinc/34/68/90/1312346890.db2.gz AINUQCNOFVUEJI-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCc2ccccc21 ZINC000903092129 1312347038 /nfs/dbraw/zinc/34/70/38/1312347038.db2.gz IAGSWQWUTFBKIL-ZJVRTDGDSA-N 1 3 326.484 2.958 20 0 EFADHO O[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCc2ccccc21 ZINC000903092129 1312347041 /nfs/dbraw/zinc/34/70/41/1312347041.db2.gz IAGSWQWUTFBKIL-ZJVRTDGDSA-N 1 3 326.484 2.958 20 0 EFADHO CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1cccnc1 ZINC001230796341 1312347116 /nfs/dbraw/zinc/34/71/16/1312347116.db2.gz AINUQCNOFVUEJI-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1cccnc1 ZINC001230796341 1312347118 /nfs/dbraw/zinc/34/71/18/1312347118.db2.gz AINUQCNOFVUEJI-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC001163669064 1312359091 /nfs/dbraw/zinc/35/90/91/1312359091.db2.gz JACHBNJBVYTSJI-GOSISDBHSA-N 1 3 337.471 2.878 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001163669064 1312359093 /nfs/dbraw/zinc/35/90/93/1312359093.db2.gz JACHBNJBVYTSJI-GOSISDBHSA-N 1 3 337.471 2.878 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC001163669064 1312359095 /nfs/dbraw/zinc/35/90/95/1312359095.db2.gz JACHBNJBVYTSJI-GOSISDBHSA-N 1 3 337.471 2.878 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015794467 1312364976 /nfs/dbraw/zinc/36/49/76/1312364976.db2.gz HDHPDSGMWMKRHY-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCN(CCc2cccs2)C1)[NH+]1CCCCCC1 ZINC001015795293 1312366186 /nfs/dbraw/zinc/36/61/86/1312366186.db2.gz OACSUXGSSBVEPU-DLBZAZTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795293 1312366190 /nfs/dbraw/zinc/36/61/90/1312366190.db2.gz OACSUXGSSBVEPU-DLBZAZTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCCC1 ZINC001015795293 1312366194 /nfs/dbraw/zinc/36/61/94/1312366194.db2.gz OACSUXGSSBVEPU-DLBZAZTESA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796631 1312366554 /nfs/dbraw/zinc/36/65/54/1312366554.db2.gz YZBVDBLUNJVJEZ-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001015796096 1312366840 /nfs/dbraw/zinc/36/68/40/1312366840.db2.gz JEBVOSCRUWMIDV-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CCN(CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)Cc1cccnc1 ZINC001230932265 1312395732 /nfs/dbraw/zinc/39/57/32/1312395732.db2.gz QSYHLUBBOGNRJM-LJQANCHMSA-N 1 3 346.519 2.530 20 0 EFADHO CN(C)Cc1ccc(NCc2cccnc2C2CC[NH2+]CC2)nc1 ZINC001163908212 1312406014 /nfs/dbraw/zinc/40/60/14/1312406014.db2.gz IIEQGIUIYLGFCF-UHFFFAOYSA-N 1 3 325.460 2.617 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001049057920 1312413060 /nfs/dbraw/zinc/41/30/60/1312413060.db2.gz SIDFZGBLECAXBB-RLLQIKCJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1 ZINC001049057920 1312413064 /nfs/dbraw/zinc/41/30/64/1312413064.db2.gz SIDFZGBLECAXBB-RLLQIKCJSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCCCCC4)C[C@@H]3C2)C1 ZINC001049059542 1312413795 /nfs/dbraw/zinc/41/37/95/1312413795.db2.gz UHMAKTGXXVTXSP-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCCCCC4)C[C@@H]3C2)C1 ZINC001049059542 1312413799 /nfs/dbraw/zinc/41/37/99/1312413799.db2.gz UHMAKTGXXVTXSP-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1)N(C)C ZINC001049065239 1312418079 /nfs/dbraw/zinc/41/80/79/1312418079.db2.gz PHCRHIDAKRNCQZ-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1)N(C)C ZINC001049065239 1312418082 /nfs/dbraw/zinc/41/80/82/1312418082.db2.gz PHCRHIDAKRNCQZ-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1)N(C)C ZINC001049065320 1312418641 /nfs/dbraw/zinc/41/86/41/1312418641.db2.gz RCJAWUFUMFIPGL-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1)N(C)C ZINC001049065320 1312418645 /nfs/dbraw/zinc/41/86/45/1312418645.db2.gz RCJAWUFUMFIPGL-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082905 1312435592 /nfs/dbraw/zinc/43/55/92/1312435592.db2.gz LCTYLUSUPMTLPD-XLAORIBOSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082905 1312435594 /nfs/dbraw/zinc/43/55/94/1312435594.db2.gz LCTYLUSUPMTLPD-XLAORIBOSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)N(CCC[NH3+])c1nc(N2CCOCC2)cc2ccccc21 ZINC001164121759 1312452062 /nfs/dbraw/zinc/45/20/62/1312452062.db2.gz VSPNSJAIQIZIQL-UHFFFAOYSA-N 1 3 328.460 2.635 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001015931170 1312454535 /nfs/dbraw/zinc/45/45/35/1312454535.db2.gz ZKDJSHMSWBECEW-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903205533 1312461842 /nfs/dbraw/zinc/46/18/42/1312461842.db2.gz CKAPIWCUHKFQFS-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CCCc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc(CCC)n1 ZINC001164210526 1312468882 /nfs/dbraw/zinc/46/88/82/1312468882.db2.gz FAUFYEYCPZNQBW-UHFFFAOYSA-N 1 3 333.524 2.820 20 0 EFADHO Cc1nccc(-c2ccc(NCC3(N(C)C)CC[NH+](C)CC3)cc2)n1 ZINC001164213254 1312469554 /nfs/dbraw/zinc/46/95/54/1312469554.db2.gz QXXNFRKTDGKGKV-UHFFFAOYSA-N 1 3 339.487 2.890 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]3C2)CC1 ZINC001049131691 1312495139 /nfs/dbraw/zinc/49/51/39/1312495139.db2.gz NIGFVBPWCDMCFW-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]3C2)CC1 ZINC001049131691 1312495142 /nfs/dbraw/zinc/49/51/42/1312495142.db2.gz NIGFVBPWCDMCFW-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997656 1312500484 /nfs/dbraw/zinc/50/04/84/1312500484.db2.gz FOPSMMBOEVOOGU-LPHOPBHVSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997656 1312500489 /nfs/dbraw/zinc/50/04/89/1312500489.db2.gz FOPSMMBOEVOOGU-LPHOPBHVSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998218 1312501057 /nfs/dbraw/zinc/50/10/57/1312501057.db2.gz MWJDUZIKFOVEBT-XLIONFOSSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998218 1312501061 /nfs/dbraw/zinc/50/10/61/1312501061.db2.gz MWJDUZIKFOVEBT-XLIONFOSSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001015998869 1312501511 /nfs/dbraw/zinc/50/15/11/1312501511.db2.gz RAXIMVOYZWPZHQ-PKOBYXMFSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998869 1312501514 /nfs/dbraw/zinc/50/15/14/1312501514.db2.gz RAXIMVOYZWPZHQ-PKOBYXMFSA-N 1 3 343.515 2.842 20 0 EFADHO c1cn(-c2ccnc(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2)cn1 ZINC001165083582 1312564525 /nfs/dbraw/zinc/56/45/25/1312564525.db2.gz YLVRWPZHWMHVAI-AZUAARDMSA-N 1 3 345.450 2.978 20 0 EFADHO c1cn(-c2ccnc(N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2)cn1 ZINC001165083582 1312564526 /nfs/dbraw/zinc/56/45/26/1312564526.db2.gz YLVRWPZHWMHVAI-AZUAARDMSA-N 1 3 345.450 2.978 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)c2)cn1 ZINC001165083587 1312564555 /nfs/dbraw/zinc/56/45/55/1312564555.db2.gz YLVRWPZHWMHVAI-UYAOXDASSA-N 1 3 345.450 2.978 20 0 EFADHO c1cn(-c2ccnc(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)c2)cn1 ZINC001165083587 1312564559 /nfs/dbraw/zinc/56/45/59/1312564559.db2.gz YLVRWPZHWMHVAI-UYAOXDASSA-N 1 3 345.450 2.978 20 0 EFADHO CN(Cc1ccc(N2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1)C1CC1 ZINC001165167596 1312580490 /nfs/dbraw/zinc/58/04/90/1312580490.db2.gz DKKKVXOQVLABIX-KNQAVFIVSA-N 1 3 348.494 2.653 20 0 EFADHO CC[C@H](CN1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000903343488 1312584108 /nfs/dbraw/zinc/58/41/08/1312584108.db2.gz QPUSATYXLNFNGX-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1 ZINC001165274908 1312600816 /nfs/dbraw/zinc/60/08/16/1312600816.db2.gz LEYTUIJPCZEKTK-FHWLQOOXSA-N 1 3 344.503 2.586 20 0 EFADHO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nc1 ZINC001165274908 1312600818 /nfs/dbraw/zinc/60/08/18/1312600818.db2.gz LEYTUIJPCZEKTK-FHWLQOOXSA-N 1 3 344.503 2.586 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001165289485 1312603549 /nfs/dbraw/zinc/60/35/49/1312603549.db2.gz CRUCQFBFHXTQSZ-LPHOPBHVSA-N 1 3 342.487 2.744 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNc2cccc3cc([C@@H]4CNCCO4)cn32)C1 ZINC001165289485 1312603552 /nfs/dbraw/zinc/60/35/52/1312603552.db2.gz CRUCQFBFHXTQSZ-LPHOPBHVSA-N 1 3 342.487 2.744 20 0 EFADHO c1c(CN2CC[N@@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)nc2cc[nH]cc1-2 ZINC001232014755 1312605596 /nfs/dbraw/zinc/60/55/96/1312605596.db2.gz OSANHIDTIRDSIO-AZUAARDMSA-N 1 3 348.450 2.900 20 0 EFADHO c1c(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)nc2cc[nH]cc1-2 ZINC001232014755 1312605600 /nfs/dbraw/zinc/60/56/00/1312605600.db2.gz OSANHIDTIRDSIO-AZUAARDMSA-N 1 3 348.450 2.900 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231784 1312605912 /nfs/dbraw/zinc/60/59/12/1312605912.db2.gz KYLQZKYMUWEZOF-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231784 1312605917 /nfs/dbraw/zinc/60/59/17/1312605917.db2.gz KYLQZKYMUWEZOF-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[NH+](CCC)CCN1CCN(Cc2cc3c[nH]ccc-3n2)CC1 ZINC001232015677 1312606074 /nfs/dbraw/zinc/60/60/74/1312606074.db2.gz KSKAXANPAHLGDO-UHFFFAOYSA-N 1 3 343.519 2.803 20 0 EFADHO CCC[NH+](CCC)CCN1CCN(Cc2cc3cnccc3[nH]2)CC1 ZINC001232015677 1312606075 /nfs/dbraw/zinc/60/60/75/1312606075.db2.gz KSKAXANPAHLGDO-UHFFFAOYSA-N 1 3 343.519 2.803 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231655 1312606230 /nfs/dbraw/zinc/60/62/30/1312606230.db2.gz ICPUOXCYKNJAMA-BGYRXZFFSA-N 1 3 341.499 2.718 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049231655 1312606236 /nfs/dbraw/zinc/60/62/36/1312606236.db2.gz ICPUOXCYKNJAMA-BGYRXZFFSA-N 1 3 341.499 2.718 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CN(C/C=C/Cl)C[C@H]3C2)c1 ZINC001049231606 1312606263 /nfs/dbraw/zinc/60/62/63/1312606263.db2.gz GFHKXHPUASOKPA-BWNRDHJKSA-N 1 3 347.890 2.505 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2cc3cnccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232019367 1312606632 /nfs/dbraw/zinc/60/66/32/1312606632.db2.gz YEBDTPWBLIHXOP-MSOLQXFVSA-N 1 3 335.407 2.952 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2cc3cnccc3[nH]2)C[C@@H]1c1ccccc1 ZINC001232019367 1312606635 /nfs/dbraw/zinc/60/66/35/1312606635.db2.gz YEBDTPWBLIHXOP-MSOLQXFVSA-N 1 3 335.407 2.952 20 0 EFADHO CCCC[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232317 1312607080 /nfs/dbraw/zinc/60/70/80/1312607080.db2.gz SAIWKYONTKKZGN-KDURUIRLSA-N 1 3 329.488 2.552 20 0 EFADHO CCCC[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC001049232317 1312607084 /nfs/dbraw/zinc/60/70/84/1312607084.db2.gz SAIWKYONTKKZGN-KDURUIRLSA-N 1 3 329.488 2.552 20 0 EFADHO COC1CC[NH+](C2CCN(Cc3cc4c[nH]ccc-4n3)CC2)CC1 ZINC001232018136 1312607133 /nfs/dbraw/zinc/60/71/33/1312607133.db2.gz FNDXOHVTXZTASP-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO COC1CC[NH+](C2CCN(Cc3cc4cnccc4[nH]3)CC2)CC1 ZINC001232018136 1312607136 /nfs/dbraw/zinc/60/71/36/1312607136.db2.gz FNDXOHVTXZTASP-UHFFFAOYSA-N 1 3 328.460 2.638 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231858 1312607202 /nfs/dbraw/zinc/60/72/02/1312607202.db2.gz MYCVSJWBUZIIAV-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049231858 1312607206 /nfs/dbraw/zinc/60/72/06/1312607206.db2.gz MYCVSJWBUZIIAV-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CCC4CC4)C[C@@H]3C2)c1 ZINC001049232616 1312608048 /nfs/dbraw/zinc/60/80/48/1312608048.db2.gz WICFEACGHUHWFN-BGYRXZFFSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CCC4CC4)C[C@@H]3C2)c1 ZINC001049232616 1312608053 /nfs/dbraw/zinc/60/80/53/1312608053.db2.gz WICFEACGHUHWFN-BGYRXZFFSA-N 1 3 341.499 2.552 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049232702 1312608149 /nfs/dbraw/zinc/60/81/49/1312608149.db2.gz CMXCULDCABPXNX-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3CC)C[C@H]2C1 ZINC001049232702 1312608151 /nfs/dbraw/zinc/60/81/51/1312608151.db2.gz CMXCULDCABPXNX-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)CCC1 ZINC001165464351 1312633700 /nfs/dbraw/zinc/63/37/00/1312633700.db2.gz BNSYLONGIWIGEE-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001165465077 1312633963 /nfs/dbraw/zinc/63/39/63/1312633963.db2.gz SDLZIEBVHKXPTO-UHFFFAOYSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001165465155 1312633980 /nfs/dbraw/zinc/63/39/80/1312633980.db2.gz VCKCZKLPDZNCMP-UHFFFAOYSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CCc3ccccc3)CC2)CCC1 ZINC001165464851 1312634014 /nfs/dbraw/zinc/63/40/14/1312634014.db2.gz MXSYIILBJSDORR-UHFFFAOYSA-N 1 3 343.515 2.590 20 0 EFADHO CC(=O)N1CCCC[C@]12CCN(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232146761 1312634079 /nfs/dbraw/zinc/63/40/79/1312634079.db2.gz GQHKARIYFYGEAB-HXUWFJFHSA-N 1 3 347.478 2.864 20 0 EFADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(F)cc(C[NH+](C)C)c1)C2 ZINC001232149927 1312634473 /nfs/dbraw/zinc/63/44/73/1312634473.db2.gz QDDQENWWDKUCJJ-JZXOWHBKSA-N 1 3 334.435 2.661 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001232147399 1312634515 /nfs/dbraw/zinc/63/45/15/1312634515.db2.gz HTOKLSMBMKWIFS-UHFFFAOYSA-N 1 3 331.479 2.805 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c1 ZINC001232147399 1312634518 /nfs/dbraw/zinc/63/45/18/1312634518.db2.gz HTOKLSMBMKWIFS-UHFFFAOYSA-N 1 3 331.479 2.805 20 0 EFADHO C[NH+](C)Cc1cc(F)cc(CN2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001232148266 1312634707 /nfs/dbraw/zinc/63/47/07/1312634707.db2.gz AOAWEGCSSPEFBM-UHFFFAOYSA-N 1 3 329.419 2.589 20 0 EFADHO CN(C)Cc1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1 ZINC001232151628 1312634999 /nfs/dbraw/zinc/63/49/99/1312634999.db2.gz PLDJFTJYSUGUPQ-OALUTQOASA-N 1 3 337.458 2.896 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC001165485137 1312636860 /nfs/dbraw/zinc/63/68/60/1312636860.db2.gz NLJXBEVXUHMNGY-KRWDZBQOSA-N 1 3 335.536 2.639 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)cs1 ZINC001165485349 1312636990 /nfs/dbraw/zinc/63/69/90/1312636990.db2.gz SPLFWVKOAQUOGL-QGZVFWFLSA-N 1 3 349.544 2.773 20 0 EFADHO CCC/C=C/CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485167 1312637032 /nfs/dbraw/zinc/63/70/32/1312637032.db2.gz NWZADELWHLEHAI-IPLHWJFFSA-N 1 3 335.536 2.949 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)C1CC1 ZINC001165485332 1312637184 /nfs/dbraw/zinc/63/71/84/1312637184.db2.gz SAXCWNLRWQIESB-GOSISDBHSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001165610113 1312652970 /nfs/dbraw/zinc/65/29/70/1312652970.db2.gz UACSNHQLOIBAOX-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)N(C)C ZINC001165616748 1312653418 /nfs/dbraw/zinc/65/34/18/1312653418.db2.gz ATBYDGVCDBHWCT-INIZCTEOSA-N 1 3 329.504 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001165617590 1312653775 /nfs/dbraw/zinc/65/37/75/1312653775.db2.gz NYVFSVIZCBZDQS-SFHVURJKSA-N 1 3 331.504 2.649 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001211229163 1314460388 /nfs/dbraw/zinc/46/03/88/1314460388.db2.gz PMTJRVCZQSMROD-GOSISDBHSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@H](C)C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233875 1314461277 /nfs/dbraw/zinc/46/12/77/1314461277.db2.gz QSYJOYOYELRXRY-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211250520 1314463436 /nfs/dbraw/zinc/46/34/36/1314463436.db2.gz VDCALLCPNLTFAB-DOTOQJQBSA-N 1 3 335.467 2.691 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001211256314 1314464020 /nfs/dbraw/zinc/46/40/20/1314464020.db2.gz CVTOUHOQBWIRDB-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001211251072 1314464033 /nfs/dbraw/zinc/46/40/33/1314464033.db2.gz ZITQIWBGQFVXDG-DIEDAUMRSA-N 1 3 335.879 2.695 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268902 1314466589 /nfs/dbraw/zinc/46/65/89/1314466589.db2.gz LSHJPONCCUXKSK-QZTJIDSGSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001211269289 1314466954 /nfs/dbraw/zinc/46/69/54/1314466954.db2.gz OZDAMNJVKINUQO-SFHVURJKSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211283193 1314469024 /nfs/dbraw/zinc/46/90/24/1314469024.db2.gz FCMZSGWMKQCEDT-IEBWSBKVSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001211282843 1314469224 /nfs/dbraw/zinc/46/92/24/1314469224.db2.gz DCTUFOFKIVQJEA-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211284369 1314469665 /nfs/dbraw/zinc/46/96/65/1314469665.db2.gz LIZRYVOCUCXFBV-FUHWJXTLSA-N 1 3 347.503 2.677 20 0 EFADHO C[NH+](C)CCCOc1ccc(-c2cnccc2N2CCOCC2)cc1 ZINC001245338550 1314474457 /nfs/dbraw/zinc/47/44/57/1314474457.db2.gz LKMTZUJYDDRALG-UHFFFAOYSA-N 1 3 341.455 2.916 20 0 EFADHO C[NH+](C)CCOc1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245423795 1314488018 /nfs/dbraw/zinc/48/80/18/1314488018.db2.gz BMNZQNWWXCQEAI-LJQANCHMSA-N 1 3 330.472 2.895 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376975 1314488103 /nfs/dbraw/zinc/48/81/03/1314488103.db2.gz QXTFAUUJFXBWDT-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N2CCCC2)C1 ZINC001211376975 1314488106 /nfs/dbraw/zinc/48/81/06/1314488106.db2.gz QXTFAUUJFXBWDT-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376962 1314488323 /nfs/dbraw/zinc/48/83/23/1314488323.db2.gz QNZSFPAIVMAILU-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931730 1314490921 /nfs/dbraw/zinc/49/09/21/1314490921.db2.gz BIYOCQBVOAJQJK-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3cccc(Cl)c3)CC2)C1 ZINC001052931730 1314490923 /nfs/dbraw/zinc/49/09/23/1314490923.db2.gz BIYOCQBVOAJQJK-FUHWJXTLSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-c3ccncc3C[NH3+])c(F)c2)CC1 ZINC001245561683 1314507327 /nfs/dbraw/zinc/50/73/27/1314507327.db2.gz UKMUFCQIQGANEM-UHFFFAOYSA-N 1 3 342.462 2.872 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001019820272 1314515364 /nfs/dbraw/zinc/51/53/64/1314515364.db2.gz CUOMQUXEFRXDCK-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCCN3CC)C2)cc1 ZINC001019822838 1314515816 /nfs/dbraw/zinc/51/58/16/1314515816.db2.gz HMQANXGXPPGSKV-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001019820360 1314516356 /nfs/dbraw/zinc/51/63/56/1314516356.db2.gz HHRMEFFALOCBTE-IBGZPJMESA-N 1 3 337.467 2.753 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001019820376 1314516460 /nfs/dbraw/zinc/51/64/60/1314516460.db2.gz HXFJMPAOQAVHNA-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC(CC)CC)CC1 ZINC001052984456 1314541780 /nfs/dbraw/zinc/54/17/80/1314541780.db2.gz OCKVLTDBKWQCLV-KDURUIRLSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(CC)CC)CC1 ZINC001052984456 1314541783 /nfs/dbraw/zinc/54/17/83/1314541783.db2.gz OCKVLTDBKWQCLV-KDURUIRLSA-N 1 3 335.536 2.972 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001052985223 1314542719 /nfs/dbraw/zinc/54/27/19/1314542719.db2.gz CFIDFAZHYTUURH-QIYLELGZSA-N 1 3 345.531 2.582 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001052985223 1314542724 /nfs/dbraw/zinc/54/27/24/1314542724.db2.gz CFIDFAZHYTUURH-QIYLELGZSA-N 1 3 345.531 2.582 20 0 EFADHO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCF)CC1 ZINC001052985936 1314543259 /nfs/dbraw/zinc/54/32/59/1314543259.db2.gz ALSWPBTYSDCDRX-RYQLBKOJSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986949 1314544200 /nfs/dbraw/zinc/54/42/00/1314544200.db2.gz XWIOTBCWWXLMBP-QLIIJSOBSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986949 1314544205 /nfs/dbraw/zinc/54/42/05/1314544205.db2.gz XWIOTBCWWXLMBP-QLIIJSOBSA-N 1 3 345.531 2.582 20 0 EFADHO CCc1ccc(CCNC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)cc1 ZINC001245981182 1314558839 /nfs/dbraw/zinc/55/88/39/1314558839.db2.gz ABYIHKVSFQXKMW-VQTJNVASSA-N 1 3 348.437 2.590 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC001245986251 1314559725 /nfs/dbraw/zinc/55/97/25/1314559725.db2.gz WYYJXOFHVXYWJL-JRGCBEDISA-N 1 3 342.483 2.591 20 0 EFADHO Cc1cc(C)cc(OC[C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)c1 ZINC001245986247 1314560261 /nfs/dbraw/zinc/56/02/61/1314560261.db2.gz WYYJXOFHVXYWJL-DZFGPLHGSA-N 1 3 342.483 2.591 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@]2(C)CCC[NH2+]CC2)cc1 ZINC001245991344 1314561367 /nfs/dbraw/zinc/56/13/67/1314561367.db2.gz JYUBPEZVKSWYEI-FXAWDEMLSA-N 1 3 334.504 2.846 20 0 EFADHO Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001245993976 1314561396 /nfs/dbraw/zinc/56/13/96/1314561396.db2.gz LYSADYOFRWTAEH-XUVXKRRUSA-N 1 3 346.421 2.781 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245995075 1314562308 /nfs/dbraw/zinc/56/23/08/1314562308.db2.gz SFXNHPGOCPRSCY-AYBZRNKSSA-N 1 3 334.504 2.702 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001246004524 1314564882 /nfs/dbraw/zinc/56/48/82/1314564882.db2.gz HJGDPFIZLRWJIH-VQTJNVASSA-N 1 3 342.458 2.811 20 0 EFADHO CC(C)(C[NH2+]C[C@@]1(O)CCCNC1)Cc1cccc(C(F)(F)F)c1 ZINC001246007047 1314564945 /nfs/dbraw/zinc/56/49/45/1314564945.db2.gz NYELVNYIWFOWRZ-QGZVFWFLSA-N 1 3 344.421 2.978 20 0 EFADHO O[C@@H](CN[C@H](C1CCC1)C1C[NH2+]C1)COc1cccc2ccccc21 ZINC001246020964 1314566485 /nfs/dbraw/zinc/56/64/85/1314566485.db2.gz QQJJLCIXJYZJCB-GHTZIAJQSA-N 1 3 340.467 2.557 20 0 EFADHO O[C@@H](CN[C@H](C1CC1)C1C[NH2+]C1)C(c1ccccc1)c1ccccc1 ZINC001246019491 1314566783 /nfs/dbraw/zinc/56/67/83/1314566783.db2.gz KOJFAXPQHFZPNI-RBBKRZOGSA-N 1 3 336.479 2.767 20 0 EFADHO CCC[C@@H](O)C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022790 1314567929 /nfs/dbraw/zinc/56/79/29/1314567929.db2.gz BKZBWUWTHNETHV-WOJBJXKFSA-N 1 3 346.515 2.951 20 0 EFADHO CCC[C@@H](O)C[N@H+]1[C@@H](COCc2ccccc2)CCC12CCNCC2 ZINC001246022790 1314567932 /nfs/dbraw/zinc/56/79/32/1314567932.db2.gz BKZBWUWTHNETHV-WOJBJXKFSA-N 1 3 346.515 2.951 20 0 EFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H](O)COc1cccc2ccccc21 ZINC001246026542 1314568390 /nfs/dbraw/zinc/56/83/90/1314568390.db2.gz VVIYGRZKFVNNEL-NXHRZFHOSA-N 1 3 328.456 2.639 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001246067693 1314579434 /nfs/dbraw/zinc/57/94/34/1314579434.db2.gz WYCVBBGLQGTMAO-QHAWAJNXSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001246067693 1314579438 /nfs/dbraw/zinc/57/94/38/1314579438.db2.gz WYCVBBGLQGTMAO-QHAWAJNXSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001246067692 1314579555 /nfs/dbraw/zinc/57/95/55/1314579555.db2.gz WYCVBBGLQGTMAO-PCCBWWKXSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001246067692 1314579559 /nfs/dbraw/zinc/57/95/59/1314579559.db2.gz WYCVBBGLQGTMAO-PCCBWWKXSA-N 1 3 342.458 2.764 20 0 EFADHO O=C(c1ccccc1)N1CC[C@H]2C[C@H]([NH2+]C3CCNCC3)CC[C@H]2C1 ZINC001246078999 1314581147 /nfs/dbraw/zinc/58/11/47/1314581147.db2.gz OCEIPUQWHUZRET-CMKODMSKSA-N 1 3 341.499 2.659 20 0 EFADHO O[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)CCNC[C@@H]1F ZINC001246082058 1314581202 /nfs/dbraw/zinc/58/12/02/1314581202.db2.gz LHAISSLOGXCWED-VBNZEHGJSA-N 1 3 347.261 2.503 20 0 EFADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246148707 1314589689 /nfs/dbraw/zinc/58/96/89/1314589689.db2.gz QDFLNUVDTIMMQR-KVFNFIISSA-N 1 3 329.271 2.891 20 0 EFADHO Clc1cccc2c1CC[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246140738 1314588030 /nfs/dbraw/zinc/58/80/30/1314588030.db2.gz BIMSTKZMWDSWNG-LZQZEXGQSA-N 1 3 334.891 2.946 20 0 EFADHO COc1ccc2cc(CC[C@H](C)N[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2c1 ZINC001246138800 1314588497 /nfs/dbraw/zinc/58/84/97/1314588497.db2.gz OXOPAQFAAMGEKR-RKTMXUFFSA-N 1 3 340.467 2.746 20 0 EFADHO Clc1cc2c(cc1Cl)C[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)CC2 ZINC001246145916 1314589216 /nfs/dbraw/zinc/58/92/16/1314589216.db2.gz GEYJTZYKDOWVON-OEUWWYETSA-N 1 3 341.282 2.675 20 0 EFADHO c1ccc(COc2ccc3c(c2)C[C@H](N[C@H]2[C@H]4C[NH2+]C[C@H]42)CC3)cc1 ZINC001246143542 1314589429 /nfs/dbraw/zinc/58/94/29/1314589429.db2.gz FONPRQGQCTWZTQ-PSWRPDDJSA-N 1 3 334.463 2.930 20 0 EFADHO Clc1cccc2c1C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246152182 1314590276 /nfs/dbraw/zinc/59/02/76/1314590276.db2.gz PDWDNFNPIOLFQL-IPELMVKDSA-N 1 3 334.891 2.946 20 0 EFADHO COc1ccc(Br)cc1CCN[C@H]1CC[NH2+][C@H](C)C1 ZINC001246158135 1314590594 /nfs/dbraw/zinc/59/05/94/1314590594.db2.gz GQQZJDJKMSUQMV-RISCZKNCSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CC[NH2+][C@H]1CCN[C@H](C)C1 ZINC001246158135 1314590599 /nfs/dbraw/zinc/59/05/99/1314590599.db2.gz GQQZJDJKMSUQMV-RISCZKNCSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CCN[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246158133 1314590812 /nfs/dbraw/zinc/59/08/12/1314590812.db2.gz GQQZJDJKMSUQMV-BXUZGUMPSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CC[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246158133 1314590815 /nfs/dbraw/zinc/59/08/15/1314590815.db2.gz GQQZJDJKMSUQMV-BXUZGUMPSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)cc1CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246161038 1314591538 /nfs/dbraw/zinc/59/15/38/1314591538.db2.gz WWQZDELQDGBCEX-YIONKMFJSA-N 1 3 339.277 2.873 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027177 1314596530 /nfs/dbraw/zinc/59/65/30/1314596530.db2.gz AWIKJWCJVMYJBP-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027177 1314596536 /nfs/dbraw/zinc/59/65/36/1314596536.db2.gz AWIKJWCJVMYJBP-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@]1(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CCNCC1(F)F ZINC001246223524 1314599640 /nfs/dbraw/zinc/59/96/40/1314599640.db2.gz WIVIQKGVVVCHOI-OKZBNKHCSA-N 1 3 337.458 2.574 20 0 EFADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@]3(O)CCCNC3)ccc2c1 ZINC001246231991 1314600059 /nfs/dbraw/zinc/60/00/59/1314600059.db2.gz PEGIROZHFRNJQJ-KKSFZXQISA-N 1 3 342.483 2.874 20 0 EFADHO COc1ccc2cc(CC[C@H](C)[NH2+]C[C@@]3(O)CCCNC3)ccc2c1 ZINC001246231985 1314600092 /nfs/dbraw/zinc/60/00/92/1314600092.db2.gz PEGIROZHFRNJQJ-HRAATJIYSA-N 1 3 342.483 2.874 20 0 EFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246231154 1314600242 /nfs/dbraw/zinc/60/02/42/1314600242.db2.gz OOYJQQSKLQDTPI-BDJLRTHQSA-N 1 3 332.822 2.643 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029788 1314602648 /nfs/dbraw/zinc/60/26/48/1314602648.db2.gz WAGYMADIJRQWDJ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029788 1314602653 /nfs/dbraw/zinc/60/26/53/1314602653.db2.gz WAGYMADIJRQWDJ-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029773 1314603021 /nfs/dbraw/zinc/60/30/21/1314603021.db2.gz VTROZXRIKVNQJZ-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029773 1314603029 /nfs/dbraw/zinc/60/30/29/1314603029.db2.gz VTROZXRIKVNQJZ-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029806 1314603225 /nfs/dbraw/zinc/60/32/25/1314603225.db2.gz WDFNNZWIACRFDP-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029806 1314603228 /nfs/dbraw/zinc/60/32/28/1314603228.db2.gz WDFNNZWIACRFDP-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCCNC1 ZINC001246285195 1314605943 /nfs/dbraw/zinc/60/59/43/1314605943.db2.gz GPPLULCEMXXAOJ-DYXWJJEUSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CCN1 ZINC001246319954 1314610021 /nfs/dbraw/zinc/61/00/21/1314610021.db2.gz XUGSPTAGLKKDEW-WMZOPIPTSA-N 1 3 325.456 2.933 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(CC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246329277 1314611275 /nfs/dbraw/zinc/61/12/75/1314611275.db2.gz UMWVXXPWOMIKKP-QAPCUYQASA-N 1 3 332.488 2.843 20 0 EFADHO [NH3+][C@@]12CC[C@@](N[C@H]3CCN(Cc4ccccc4)C(=O)C3)(C1)CCC2 ZINC001246341053 1314613594 /nfs/dbraw/zinc/61/35/94/1314613594.db2.gz NUMVKWBEABEOPZ-YSIASYRMSA-N 1 3 327.472 2.571 20 0 EFADHO Fc1ccc(CN2CCC([NH2+]C3CCNCC3)CC2)c(Cl)c1 ZINC001246357252 1314614876 /nfs/dbraw/zinc/61/48/76/1314614876.db2.gz YGRONRRIQNWWLL-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@H]3CCN[C@H](C)C3)CC2)c1 ZINC001246359254 1314615018 /nfs/dbraw/zinc/61/50/18/1314615018.db2.gz MWLRYTBIIUVYTQ-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@@H](C)NC2)CC1 ZINC001246359075 1314615060 /nfs/dbraw/zinc/61/50/60/1314615060.db2.gz KYERCPIJHIQDPN-KDOFPFPSSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC(N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246359075 1314615065 /nfs/dbraw/zinc/61/50/65/1314615065.db2.gz KYERCPIJHIQDPN-KDOFPFPSSA-N 1 3 335.467 2.529 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001053038064 1314616805 /nfs/dbraw/zinc/61/68/05/1314616805.db2.gz FFVIFMVCLANBAH-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001053038064 1314616808 /nfs/dbraw/zinc/61/68/08/1314616808.db2.gz FFVIFMVCLANBAH-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246399141 1314623852 /nfs/dbraw/zinc/62/38/52/1314623852.db2.gz JFQSBVIDVFTVKJ-QAPCUYQASA-N 1 3 349.450 2.687 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@@H](c2ccccc2F)C2CC[NH2+]CC2)C1 ZINC001246399133 1314623924 /nfs/dbraw/zinc/62/39/24/1314623924.db2.gz JFQSBVIDVFTVKJ-CRAIPNDOSA-N 1 3 349.450 2.687 20 0 EFADHO COc1ccc(CC2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)cc1 ZINC001246404560 1314624529 /nfs/dbraw/zinc/62/45/29/1314624529.db2.gz IBMJALBARPUIEE-WMZOPIPTSA-N 1 3 332.488 2.765 20 0 EFADHO COc1ccc(CC2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)cc1 ZINC001246404551 1314624732 /nfs/dbraw/zinc/62/47/32/1314624732.db2.gz IBMJALBARPUIEE-AEFFLSMTSA-N 1 3 332.488 2.765 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@@H](C)CC[NH2+]C)C1 ZINC001246408464 1314625619 /nfs/dbraw/zinc/62/56/19/1314625619.db2.gz UNJXOKQJFQDPAT-HOTGVXAUSA-N 1 3 329.492 2.613 20 0 EFADHO Fc1cccc(C2([NH2+][C@@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246437013 1314628940 /nfs/dbraw/zinc/62/89/40/1314628940.db2.gz MEJDEVAZRZRBNJ-CABCVRRESA-N 1 3 345.384 2.677 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4ccccc4C3=O)CC2)CCN1 ZINC001246436237 1314628970 /nfs/dbraw/zinc/62/89/70/1314628970.db2.gz HXASYPGWRSKIPH-DKIMLUQUSA-N 1 3 327.472 2.684 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CCN1 ZINC001246457338 1314631589 /nfs/dbraw/zinc/63/15/89/1314631589.db2.gz JIUBSHIZJQWTMH-JKSUJKDBSA-N 1 3 341.421 2.624 20 0 EFADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246488657 1314635989 /nfs/dbraw/zinc/63/59/89/1314635989.db2.gz NZMJHSLJRBBCCH-SQNIBIBYSA-N 1 3 337.458 2.574 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4cc(F)c(F)cc4C3)CC2)NC1 ZINC001246493537 1314636932 /nfs/dbraw/zinc/63/69/32/1314636932.db2.gz HIBHJKUMBVKGBT-QGZVFWFLSA-N 1 3 345.437 2.864 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)NC1 ZINC001246495497 1314637549 /nfs/dbraw/zinc/63/75/49/1314637549.db2.gz PPMMVEQCIHDFMY-QGZVFWFLSA-N 1 3 327.447 2.725 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)NC1 ZINC001246494971 1314638032 /nfs/dbraw/zinc/63/80/32/1314638032.db2.gz NDMYNDKBZRPXRG-QGZVFWFLSA-N 1 3 327.497 2.745 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246505665 1314638947 /nfs/dbraw/zinc/63/89/47/1314638947.db2.gz FZEHJZIWINCQBG-XUJVJEKNSA-N 1 3 339.277 2.730 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccc(Br)cc3C2)CCN1 ZINC001246505665 1314638952 /nfs/dbraw/zinc/63/89/52/1314638952.db2.gz FZEHJZIWINCQBG-XUJVJEKNSA-N 1 3 339.277 2.730 20 0 EFADHO O=C(OC1CCC([NH2+][C@@H](C2CC2)C2CNC2)CC1)c1ccccc1 ZINC001246513832 1314640522 /nfs/dbraw/zinc/64/05/22/1314640522.db2.gz FAAQWLFNADQCOD-ACBHZAAOSA-N 1 3 328.456 2.742 20 0 EFADHO Fc1ccc(N2CCN([C@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1Cl ZINC001246533984 1314643327 /nfs/dbraw/zinc/64/33/27/1314643327.db2.gz FGVHXTYIGZXHND-CLLJXQQHSA-N 1 3 341.833 2.738 20 0 EFADHO [NH3+][C@@H]1CCCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001246542513 1314644748 /nfs/dbraw/zinc/64/47/48/1314644748.db2.gz PTJSVGIICWAKSX-MRXNPFEDSA-N 1 3 335.879 2.758 20 0 EFADHO C[C@@H](Cc1ccccc1Br)N1CCC[C@](O)(C[NH3+])CC1 ZINC001246543704 1314645018 /nfs/dbraw/zinc/64/50/18/1314645018.db2.gz NKKSIXRKBCEZIR-XJKSGUPXSA-N 1 3 341.293 2.556 20 0 EFADHO C[C@@H]1CC([N@@H+]2CCCC[C@](O)(CN)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246558002 1314647902 /nfs/dbraw/zinc/64/79/02/1314647902.db2.gz KCBBTPWVMFBOJG-OPYAIIAOSA-N 1 3 345.531 2.604 20 0 EFADHO C[C@@H]1CC([N@H+]2CCCC[C@](O)(CN)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246558002 1314647906 /nfs/dbraw/zinc/64/79/06/1314647906.db2.gz KCBBTPWVMFBOJG-OPYAIIAOSA-N 1 3 345.531 2.604 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020174879 1314650188 /nfs/dbraw/zinc/65/01/88/1314650188.db2.gz VPRRWTCFPZZNJK-NBOOPKSLSA-N 1 3 349.906 2.807 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001020174879 1314650192 /nfs/dbraw/zinc/65/01/92/1314650192.db2.gz VPRRWTCFPZZNJK-NBOOPKSLSA-N 1 3 349.906 2.807 20 0 EFADHO NC[C@H]1CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246579936 1314651594 /nfs/dbraw/zinc/65/15/94/1314651594.db2.gz DIEJXXAJDDUKQJ-BLMTVLTRSA-N 1 3 341.499 2.883 20 0 EFADHO NC[C@H]1CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2)C1 ZINC001246579936 1314651598 /nfs/dbraw/zinc/65/15/98/1314651598.db2.gz DIEJXXAJDDUKQJ-BLMTVLTRSA-N 1 3 341.499 2.883 20 0 EFADHO [NH3+]C[C@@]1(F)CCCCN([C@@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246585091 1314652408 /nfs/dbraw/zinc/65/24/08/1314652408.db2.gz YQGVKPXVRZINMF-QUCCMNQESA-N 1 3 347.478 2.721 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001246609822 1314656434 /nfs/dbraw/zinc/65/64/34/1314656434.db2.gz NXLVQFAJAXJUMD-UZLBHIALSA-N 1 3 330.472 2.870 20 0 EFADHO CCCCCC[C@@H](CCCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625896 1314659025 /nfs/dbraw/zinc/65/90/25/1314659025.db2.gz IKONXRAOGQWXOE-XLIONFOSSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC[C@@H](CCCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246625896 1314659028 /nfs/dbraw/zinc/65/90/28/1314659028.db2.gz IKONXRAOGQWXOE-XLIONFOSSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC[C@H](CCCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625893 1314659555 /nfs/dbraw/zinc/65/95/55/1314659555.db2.gz IKONXRAOGQWXOE-FXAWDEMLSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC[C@H](CCCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625893 1314659558 /nfs/dbraw/zinc/65/95/58/1314659558.db2.gz IKONXRAOGQWXOE-FXAWDEMLSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC(CCCCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624051 1314659647 /nfs/dbraw/zinc/65/96/47/1314659647.db2.gz DIRDWIMMWBJCPI-HXUWFJFHSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC(CCCCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246624051 1314659652 /nfs/dbraw/zinc/65/96/52/1314659652.db2.gz DIRDWIMMWBJCPI-HXUWFJFHSA-N 1 3 335.536 2.927 20 0 EFADHO COC(=O)[C@@H]1CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001246677741 1314668885 /nfs/dbraw/zinc/66/88/85/1314668885.db2.gz NCZSIBBZIBWBLS-YRXWBPOGSA-N 1 3 330.472 2.999 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699725 1314673291 /nfs/dbraw/zinc/67/32/91/1314673291.db2.gz YLIWJBKGALWARS-RNQOJCNYSA-N 1 3 329.488 2.841 20 0 EFADHO C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(COCc3cccnc3)C2)CCN1 ZINC001246699725 1314673299 /nfs/dbraw/zinc/67/32/99/1314673299.db2.gz YLIWJBKGALWARS-RNQOJCNYSA-N 1 3 329.488 2.841 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CCN([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246772618 1314678954 /nfs/dbraw/zinc/67/89/54/1314678954.db2.gz BRAFWWMTDFAVTR-CBGDNZLLSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+]([C@@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772618 1314678958 /nfs/dbraw/zinc/67/89/58/1314678958.db2.gz BRAFWWMTDFAVTR-CBGDNZLLSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772618 1314678967 /nfs/dbraw/zinc/67/89/67/1314678967.db2.gz BRAFWWMTDFAVTR-CBGDNZLLSA-N 1 3 341.499 2.773 20 0 EFADHO CC[C@@H]1C[C@H](N2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CC[NH2+]1 ZINC001246782635 1314681487 /nfs/dbraw/zinc/68/14/87/1314681487.db2.gz VAGSYLVAHODBBK-QFUCXCTJSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782635 1314681491 /nfs/dbraw/zinc/68/14/91/1314681491.db2.gz VAGSYLVAHODBBK-QFUCXCTJSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782635 1314681494 /nfs/dbraw/zinc/68/14/94/1314681494.db2.gz VAGSYLVAHODBBK-QFUCXCTJSA-N 1 3 341.499 2.954 20 0 EFADHO C[C@@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806869 1314685560 /nfs/dbraw/zinc/68/55/60/1314685560.db2.gz OMUDFCNGPFNTCW-UHOFOFEASA-N 1 3 338.293 2.536 20 0 EFADHO C[C@H]1C[C@@H](N2CCN[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806870 1314685674 /nfs/dbraw/zinc/68/56/74/1314685674.db2.gz OMUDFCNGPFNTCW-VBNZEHGJSA-N 1 3 338.293 2.536 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N)C[N@@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804507 1314686196 /nfs/dbraw/zinc/68/61/96/1314686196.db2.gz PZIGLSMTXKJJRO-CXUOOODFSA-N 1 3 330.472 2.610 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N)C[N@H+](C2CCC(Cc3ccccc3)CC2)C1 ZINC001246804507 1314686198 /nfs/dbraw/zinc/68/61/98/1314686198.db2.gz PZIGLSMTXKJJRO-CXUOOODFSA-N 1 3 330.472 2.610 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CC[NH2+]1 ZINC001246805498 1314686258 /nfs/dbraw/zinc/68/62/58/1314686258.db2.gz NTLGSOLCBDIFRN-CEQIKUNHSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805498 1314686262 /nfs/dbraw/zinc/68/62/62/1314686262.db2.gz NTLGSOLCBDIFRN-CEQIKUNHSA-N 1 3 339.483 2.527 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)CCN1 ZINC001246805498 1314686267 /nfs/dbraw/zinc/68/62/67/1314686267.db2.gz NTLGSOLCBDIFRN-CEQIKUNHSA-N 1 3 339.483 2.527 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246811071 1314687968 /nfs/dbraw/zinc/68/79/68/1314687968.db2.gz RDRQBQXVWAIETP-QRVBRYPASA-N 1 3 330.472 2.625 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN[C@H](Cc3ccccc3)C2)C1 ZINC001246811071 1314687974 /nfs/dbraw/zinc/68/79/74/1314687974.db2.gz RDRQBQXVWAIETP-QRVBRYPASA-N 1 3 330.472 2.625 20 0 EFADHO COC(=O)c1ccc(C2CCN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246821894 1314690041 /nfs/dbraw/zinc/69/00/41/1314690041.db2.gz KJGJFWJOUBAJNC-DFNIBXOVSA-N 1 3 328.456 2.936 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCC1 ZINC001053087475 1314692661 /nfs/dbraw/zinc/69/26/61/1314692661.db2.gz LDGKSEQPTKPIHB-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001053087475 1314692667 /nfs/dbraw/zinc/69/26/67/1314692667.db2.gz LDGKSEQPTKPIHB-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO Clc1cccc([C@H]2CSCCN2[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246834174 1314692844 /nfs/dbraw/zinc/69/28/44/1314692844.db2.gz FDQHGVRIMYWHRM-HZPDHXFCSA-N 1 3 337.920 2.524 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@H]3CC[NH2+][C@H](C)C3)C1)C2 ZINC001246870360 1314699535 /nfs/dbraw/zinc/69/95/35/1314699535.db2.gz ACQVYGJBHKKMIC-LAVAIGHBSA-N 1 3 342.483 2.722 20 0 EFADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246887930 1314702894 /nfs/dbraw/zinc/70/28/94/1314702894.db2.gz QWAFAEVKPUBKFL-AWEZNQCLSA-N 1 3 339.886 2.780 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Cl)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001246886823 1314703021 /nfs/dbraw/zinc/70/30/21/1314703021.db2.gz LIWRYONQVUCMHR-AWEZNQCLSA-N 1 3 339.886 2.780 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246889068 1314704230 /nfs/dbraw/zinc/70/42/30/1314704230.db2.gz CSOOQLSPHDOSRC-BRWVUGGUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](CC)C1 ZINC001246889068 1314704234 /nfs/dbraw/zinc/70/42/34/1314704234.db2.gz CSOOQLSPHDOSRC-BRWVUGGUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCN[C@H](CC)C1 ZINC001246889068 1314704236 /nfs/dbraw/zinc/70/42/36/1314704236.db2.gz CSOOQLSPHDOSRC-BRWVUGGUSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246893177 1314705012 /nfs/dbraw/zinc/70/50/12/1314705012.db2.gz UVGKQIJFXAKESX-YYIAUSFCSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246893177 1314705014 /nfs/dbraw/zinc/70/50/14/1314705014.db2.gz UVGKQIJFXAKESX-YYIAUSFCSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246893177 1314705018 /nfs/dbraw/zinc/70/50/18/1314705018.db2.gz UVGKQIJFXAKESX-YYIAUSFCSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246893169 1314705222 /nfs/dbraw/zinc/70/52/22/1314705222.db2.gz UVGKQIJFXAKESX-YVSFHVDLSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1C[C@@H](C)N[C@@H](C)C1 ZINC001246893169 1314705223 /nfs/dbraw/zinc/70/52/23/1314705223.db2.gz UVGKQIJFXAKESX-YVSFHVDLSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H]1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001246893169 1314705225 /nfs/dbraw/zinc/70/52/25/1314705225.db2.gz UVGKQIJFXAKESX-YVSFHVDLSA-N 1 3 328.497 2.586 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099585 1314714968 /nfs/dbraw/zinc/71/49/68/1314714968.db2.gz XTGMAYBXJCCGKU-WMZOPIPTSA-N 1 3 332.492 2.845 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099585 1314714971 /nfs/dbraw/zinc/71/49/71/1314714971.db2.gz XTGMAYBXJCCGKU-WMZOPIPTSA-N 1 3 332.492 2.845 20 0 EFADHO COC(=O)c1ccc(CC2CC[NH+]([C@H]3CCN[C@@H](C)C3)CC2)cc1 ZINC001246996618 1314727406 /nfs/dbraw/zinc/72/74/06/1314727406.db2.gz HICPIWPCNDVJQE-KXBFYZLASA-N 1 3 330.472 2.868 20 0 EFADHO COC(=O)c1ccc(CC2CCN([C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC001246996618 1314727407 /nfs/dbraw/zinc/72/74/07/1314727407.db2.gz HICPIWPCNDVJQE-KXBFYZLASA-N 1 3 330.472 2.868 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([N@@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013530 1314730876 /nfs/dbraw/zinc/73/08/76/1314730876.db2.gz ZKZXAWWBVKYTMR-GDBMZVCRSA-N 1 3 339.405 2.764 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([N@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013530 1314730881 /nfs/dbraw/zinc/73/08/81/1314730881.db2.gz ZKZXAWWBVKYTMR-GDBMZVCRSA-N 1 3 339.405 2.764 20 0 EFADHO CC1(C)NC[C@@H](c2nc3cccc(F)c3n2CC2CC[NH2+]CC2)O1 ZINC001247037566 1314733721 /nfs/dbraw/zinc/73/37/21/1314733721.db2.gz XCFXKTWKGFIYHN-HNNXBMFYSA-N 1 3 332.423 2.572 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001214847655 1314746693 /nfs/dbraw/zinc/74/66/93/1314746693.db2.gz MTVGWAFTVMQEON-NVXWUHKLSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001214847779 1314746919 /nfs/dbraw/zinc/74/69/19/1314746919.db2.gz SAEPOEPHGGSKIW-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001214996713 1314766615 /nfs/dbraw/zinc/76/66/15/1314766615.db2.gz CBFUOZKRURZMIP-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1(C)C ZINC000401525031 1314810191 /nfs/dbraw/zinc/81/01/91/1314810191.db2.gz SUHOXUIEFGBUGM-PMPSAXMXSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1(C)C ZINC000401525031 1314810195 /nfs/dbraw/zinc/81/01/95/1314810195.db2.gz SUHOXUIEFGBUGM-PMPSAXMXSA-N 1 3 337.508 2.991 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246240 1314816836 /nfs/dbraw/zinc/81/68/36/1314816836.db2.gz CBXBJKXDLYWIPD-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246240 1314816838 /nfs/dbraw/zinc/81/68/38/1314816838.db2.gz CBXBJKXDLYWIPD-MJGOQNOKSA-N 1 3 333.520 2.632 20 0 EFADHO CCCC[C@@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247695794 1314822750 /nfs/dbraw/zinc/82/27/50/1314822750.db2.gz YXUJSBMKYMFDRN-QGZVFWFLSA-N 1 3 343.475 2.674 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cc2ccccc2o1 ZINC001215421962 1314833047 /nfs/dbraw/zinc/83/30/47/1314833047.db2.gz SJPZBPQPMWOEHE-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001215476327 1314840498 /nfs/dbraw/zinc/84/04/98/1314840498.db2.gz DVIKZOPBRWTPAH-MTUKJOAGSA-N 1 3 343.515 2.723 20 0 EFADHO Cc1ccc(-c2ccccc2)c(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)c1 ZINC001247831709 1314849480 /nfs/dbraw/zinc/84/94/80/1314849480.db2.gz VDMWBPQFIAMRET-GOSISDBHSA-N 1 3 346.434 2.988 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215550914 1314851036 /nfs/dbraw/zinc/85/10/36/1314851036.db2.gz JDEXJJZLIOAIHF-RCCFBDPRSA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CCC4(CC[NH2+]CC4)O3)n2)cc1 ZINC001247844040 1314851766 /nfs/dbraw/zinc/85/17/66/1314851766.db2.gz JMYRMYBRMGWJRJ-INIZCTEOSA-N 1 3 342.443 2.772 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001215558645 1314851889 /nfs/dbraw/zinc/85/18/89/1314851889.db2.gz WADYQZIMOPMLGU-CRAIPNDOSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccc(C)cc2)C1)N(C)C ZINC001215571510 1314852441 /nfs/dbraw/zinc/85/24/41/1314852441.db2.gz PKIIRHSSUASUJU-RLLQIKCJSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(-c2ccccc2)c(-c2noc(C34CNCC3C[NH2+]C4)n2)c1 ZINC001247850218 1314852976 /nfs/dbraw/zinc/85/29/76/1314852976.db2.gz IOTJIGZFPYZODL-UHFFFAOYSA-N 1 3 346.434 2.772 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@H]3CC4(CO3)CC[NH2+]CC4)n2)cc1 ZINC001247861084 1314854802 /nfs/dbraw/zinc/85/48/02/1314854802.db2.gz NPUMRIISZLZDPR-MRXNPFEDSA-N 1 3 342.443 2.629 20 0 EFADHO COc1ccc2oc(CN3CC4(C3)CCN(CC[NH+](C)C)C4)cc2c1 ZINC001276727290 1314867305 /nfs/dbraw/zinc/86/73/05/1314867305.db2.gz OWQAKGOKMBDQNC-UHFFFAOYSA-N 1 3 343.471 2.511 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038339407 1314872608 /nfs/dbraw/zinc/87/26/08/1314872608.db2.gz HBOWDBFJGWNGTB-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCC2)C1 ZINC001038339407 1314872609 /nfs/dbraw/zinc/87/26/09/1314872609.db2.gz HBOWDBFJGWNGTB-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001215973135 1314896605 /nfs/dbraw/zinc/89/66/05/1314896605.db2.gz SKRMKTXBLBWTGD-JWHDQAAXSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215994303 1314898325 /nfs/dbraw/zinc/89/83/25/1314898325.db2.gz ZOYPONJURJYVJY-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001216002211 1314899910 /nfs/dbraw/zinc/89/99/10/1314899910.db2.gz OFOWSJUVNSWEBB-NSISKUIASA-N 1 3 343.515 2.842 20 0 EFADHO O=C(NC[C@@H]1CCN1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001038394529 1314904216 /nfs/dbraw/zinc/90/42/16/1314904216.db2.gz SXQZIJNQFUIFPT-SFHVURJKSA-N 1 3 333.520 2.633 20 0 EFADHO CC(C)c1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406222 1314910986 /nfs/dbraw/zinc/91/09/86/1314910986.db2.gz BPAWESVDGLEWQJ-ICSRJNTNSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001038406222 1314910990 /nfs/dbraw/zinc/91/09/90/1314910990.db2.gz BPAWESVDGLEWQJ-ICSRJNTNSA-N 1 3 343.515 2.985 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001038411816 1314914225 /nfs/dbraw/zinc/91/42/25/1314914225.db2.gz USMAPOZOIPWHTK-UYAOXDASSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001038411816 1314914228 /nfs/dbraw/zinc/91/42/28/1314914228.db2.gz USMAPOZOIPWHTK-UYAOXDASSA-N 1 3 341.499 2.739 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001038463425 1314947838 /nfs/dbraw/zinc/94/78/38/1314947838.db2.gz QZIPLJLEJBQILO-GOSISDBHSA-N 1 3 333.520 2.776 20 0 EFADHO Cc1cccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001276739756 1314947911 /nfs/dbraw/zinc/94/79/11/1314947911.db2.gz WHBSCHCHRVTRTL-UHFFFAOYSA-N 1 3 338.499 2.832 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038463923 1314949656 /nfs/dbraw/zinc/94/96/56/1314949656.db2.gz YSGBTCWOAUJDRX-LJQANCHMSA-N 1 3 348.450 2.955 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001216511398 1314964494 /nfs/dbraw/zinc/96/44/94/1314964494.db2.gz QTMQGGPLRZXLCD-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001216516037 1314964681 /nfs/dbraw/zinc/96/46/81/1314964681.db2.gz XYKJKGAIDNYWOV-MDASCCDHSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1nc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001248872497 1314988654 /nfs/dbraw/zinc/98/86/54/1314988654.db2.gz RBWRJIIERDWXLM-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)ccc2s1 ZINC001276746345 1314995197 /nfs/dbraw/zinc/99/51/97/1314995197.db2.gz CXYVVCRTBGJBNV-ROUUACIJSA-N 1 3 344.528 2.815 20 0 EFADHO Cc1nc2cc(CN3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)ccc2s1 ZINC001276746345 1314995201 /nfs/dbraw/zinc/99/52/01/1314995201.db2.gz CXYVVCRTBGJBNV-ROUUACIJSA-N 1 3 344.528 2.815 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]C/C=C/Cl ZINC001216842630 1315014677 /nfs/dbraw/zinc/01/46/77/1315014677.db2.gz IODYXQULFFJZFC-IVXVGSNXSA-N 1 3 335.879 2.551 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001216851743 1315015619 /nfs/dbraw/zinc/01/56/19/1315015619.db2.gz HAZPPBOUFPNGEE-GPMSIDNRSA-N 1 3 347.503 2.533 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C)c1ccccc1 ZINC001216852347 1315016037 /nfs/dbraw/zinc/01/60/37/1315016037.db2.gz VHCDJHSWQGJSQK-NZSAHSFTSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852337 1315016166 /nfs/dbraw/zinc/01/61/66/1315016166.db2.gz UXOJJZCWBUMNHN-ZHALLVOQSA-N 1 3 331.504 2.833 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000404880869 1315017115 /nfs/dbraw/zinc/01/71/15/1315017115.db2.gz BHKAIHLQFBPRBN-QLFBSQMISA-N 1 3 325.497 2.610 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038625480 1315050835 /nfs/dbraw/zinc/05/08/35/1315050835.db2.gz VTVILAKZJYXMPN-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038625480 1315050839 /nfs/dbraw/zinc/05/08/39/1315050839.db2.gz VTVILAKZJYXMPN-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1c[nH]c3cccc(F)c13)C2 ZINC001276754268 1315057051 /nfs/dbraw/zinc/05/70/51/1315057051.db2.gz SMYPSUBVQXAVRV-UHFFFAOYSA-N 1 3 344.478 2.766 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2[C@@H]2CCCc3ccccc32)CC1 ZINC001038660429 1315070139 /nfs/dbraw/zinc/07/01/39/1315070139.db2.gz BLGGAAXDZUBKDL-AZUAARDMSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1nnn(-c2ccc(F)cc2)c1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001249450544 1315075994 /nfs/dbraw/zinc/07/59/94/1315075994.db2.gz WONCQURFAWUAFS-UHFFFAOYSA-N 1 3 343.450 2.633 20 0 EFADHO Cc1ccc(C)c([C@@H](C)N2CC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001038672529 1315084639 /nfs/dbraw/zinc/08/46/39/1315084639.db2.gz XRZNHEGDFNVKOP-MJGOQNOKSA-N 1 3 343.515 2.897 20 0 EFADHO C[N@@H+]1CCc2ccc(NC3=CC[C@H](N4CCOCC4)CC3)cc2C1 ZINC001249561156 1315098430 /nfs/dbraw/zinc/09/84/30/1315098430.db2.gz HMOJIILSKBZUJU-FQEVSTJZSA-N 1 3 327.472 2.855 20 0 EFADHO C[N@H+]1CCc2ccc(NC3=CC[C@H](N4CCOCC4)CC3)cc2C1 ZINC001249561156 1315098434 /nfs/dbraw/zinc/09/84/34/1315098434.db2.gz HMOJIILSKBZUJU-FQEVSTJZSA-N 1 3 327.472 2.855 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038711810 1315114581 /nfs/dbraw/zinc/11/45/81/1315114581.db2.gz FETFPJRVPXSDIQ-LJQANCHMSA-N 1 3 331.504 2.641 20 0 EFADHO COc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276767852 1315137323 /nfs/dbraw/zinc/13/73/23/1315137323.db2.gz HUQKWCKILWQVJR-HDICACEKSA-N 1 3 340.471 2.762 20 0 EFADHO COc1ccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276767852 1315137328 /nfs/dbraw/zinc/13/73/28/1315137328.db2.gz HUQKWCKILWQVJR-HDICACEKSA-N 1 3 340.471 2.762 20 0 EFADHO c1ccc(CN2CCC(Oc3ccc4c(n3)CC[NH2+]CC4)CC2)cc1 ZINC001218174353 1315159288 /nfs/dbraw/zinc/15/92/88/1315159288.db2.gz XUZQVYLUTQUMJC-UHFFFAOYSA-N 1 3 337.467 2.813 20 0 EFADHO [NH3+]Cc1cccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001218344215 1315182382 /nfs/dbraw/zinc/18/23/82/1315182382.db2.gz SFWHXHQHXRLWBL-HXUWFJFHSA-N 1 3 326.440 2.815 20 0 EFADHO Clc1ccc(CN2CCC3(C[NH+](CCn4ccnc4)C3)CC2)cn1 ZINC001276784248 1315190817 /nfs/dbraw/zinc/19/08/17/1315190817.db2.gz ZVHGXAAWWKMMQB-UHFFFAOYSA-N 1 3 345.878 2.530 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cnc(-c2ccccc2)cn1 ZINC001218506101 1315207497 /nfs/dbraw/zinc/20/74/97/1315207497.db2.gz SZVFXXMGWPTUSI-INIZCTEOSA-N 1 3 341.459 2.578 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(OCC2CCC2)nc1 ZINC001218592236 1315219867 /nfs/dbraw/zinc/21/98/67/1315219867.db2.gz SKCDYVZQNJSHCQ-KRWDZBQOSA-N 1 3 348.491 2.695 20 0 EFADHO N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cncc(C[NH3+])c1 ZINC001218703576 1315232896 /nfs/dbraw/zinc/23/28/96/1315232896.db2.gz FXIMZZNVPHJVKN-HXUWFJFHSA-N 1 3 346.434 2.716 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218710991 1315233688 /nfs/dbraw/zinc/23/36/88/1315233688.db2.gz JVJXUYNDEFSDBM-PMPSAXMXSA-N 1 3 340.427 2.779 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054060653 1315243554 /nfs/dbraw/zinc/24/35/54/1315243554.db2.gz QEYRWUBTYXPSHX-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054060653 1315243559 /nfs/dbraw/zinc/24/35/59/1315243559.db2.gz QEYRWUBTYXPSHX-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc2[nH]nc(Cl)c2c1 ZINC001218823706 1315246960 /nfs/dbraw/zinc/24/69/60/1315246960.db2.gz JPADTYIEENCGSW-ZDUSSCGKSA-N 1 3 337.855 2.650 20 0 EFADHO Cc1cc(OC(F)F)ccc1NC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001218856683 1315250853 /nfs/dbraw/zinc/25/08/53/1315250853.db2.gz TXRHPAGLENYYTD-ZDUSSCGKSA-N 1 3 329.391 2.594 20 0 EFADHO CCCCCCOc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001218852400 1315250864 /nfs/dbraw/zinc/25/08/64/1315250864.db2.gz BIGRRRBCSAEGBQ-OXQOHEQNSA-N 1 3 345.487 2.783 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(-c2cccnc2)cc1 ZINC001218915209 1315259132 /nfs/dbraw/zinc/25/91/32/1315259132.db2.gz MXCJOQAXCPBBOR-SFHVURJKSA-N 1 3 326.444 2.746 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(F)cc2cccnc21 ZINC001218969532 1315265528 /nfs/dbraw/zinc/26/55/28/1315265528.db2.gz ARPWTWASDDTWCA-HNNXBMFYSA-N 1 3 332.423 2.808 20 0 EFADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1cc2c(s1)CNCC2 ZINC001218997398 1315270787 /nfs/dbraw/zinc/27/07/87/1315270787.db2.gz CDEZLLIBZICEGY-CQSZACIVSA-N 1 3 327.453 2.723 20 0 EFADHO Nc1ccc(-c2cc3cc(NC(=O)[C@@H](N)CCC[NH3+])ccc3o2)cc1 ZINC001219212290 1315291591 /nfs/dbraw/zinc/29/15/91/1315291591.db2.gz BNFJFPVRQJKLJC-INIZCTEOSA-N 1 3 338.411 2.687 20 0 EFADHO CC(C)(C)Oc1ccc(C[C@H](N)C(=O)Nc2ccc(C[NH3+])cc2)cc1 ZINC001219347316 1315303127 /nfs/dbraw/zinc/30/31/27/1315303127.db2.gz MJQVKHFXRQGKLU-SFHVURJKSA-N 1 3 341.455 2.831 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1OCC1CC1 ZINC001219384576 1315307093 /nfs/dbraw/zinc/30/70/93/1315307093.db2.gz STCNRMMMBMLDSD-INIZCTEOSA-N 1 3 333.476 2.910 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(Cl)cc2ncoc21 ZINC001219412521 1315311778 /nfs/dbraw/zinc/31/17/78/1315311778.db2.gz QATJQOYXLXWUEB-LBPRGKRZSA-N 1 3 338.839 2.915 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)ccn1 ZINC001276806113 1315325302 /nfs/dbraw/zinc/32/53/02/1315325302.db2.gz GIXXGXBSKSLURY-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)ccn1 ZINC001276806113 1315325304 /nfs/dbraw/zinc/32/53/04/1315325304.db2.gz GIXXGXBSKSLURY-UHFFFAOYSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]Cc4cn[nH]c4)(C2)CCC3)ccn1 ZINC001276806300 1315328281 /nfs/dbraw/zinc/32/82/81/1315328281.db2.gz YVUFYDIEVURELD-RBUKOAKNSA-N 1 3 325.460 2.838 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC001251193745 1315329174 /nfs/dbraw/zinc/32/91/74/1315329174.db2.gz BDCUHNATPTZREK-FHWLQOOXSA-N 1 3 332.488 2.765 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC001251193745 1315329175 /nfs/dbraw/zinc/32/91/75/1315329175.db2.gz BDCUHNATPTZREK-FHWLQOOXSA-N 1 3 332.488 2.765 20 0 EFADHO CC(C)C[C@@](C)([NH3+])C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668949 1315334935 /nfs/dbraw/zinc/33/49/35/1315334935.db2.gz GDJBUSUFMHDOHV-OAQYLSRUSA-N 1 3 345.531 2.821 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128978 1315337838 /nfs/dbraw/zinc/33/78/38/1315337838.db2.gz HLAJPDQWNIUIAE-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128978 1315337841 /nfs/dbraw/zinc/33/78/41/1315337841.db2.gz HLAJPDQWNIUIAE-UYAOXDASSA-N 1 3 335.536 2.830 20 0 EFADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001219705038 1315340672 /nfs/dbraw/zinc/34/06/72/1315340672.db2.gz CBQHPYJJQYHUST-NHCUHLMSSA-N 1 3 349.478 2.832 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054140839 1315355967 /nfs/dbraw/zinc/35/59/67/1315355967.db2.gz AADDSNOXKKISMK-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054140839 1315355972 /nfs/dbraw/zinc/35/59/72/1315355972.db2.gz AADDSNOXKKISMK-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO C[NH+](C)CCCCCNC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001219920747 1315356583 /nfs/dbraw/zinc/35/65/83/1315356583.db2.gz KFIOZUFOQXSEKW-SFHVURJKSA-N 1 3 349.519 2.582 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144224 1315361403 /nfs/dbraw/zinc/36/14/03/1315361403.db2.gz SHRHYWWJMODNGF-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144224 1315361408 /nfs/dbraw/zinc/36/14/08/1315361408.db2.gz SHRHYWWJMODNGF-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@]12CC3CC(NC(=O)[C@H]4CCC5(CC[NH2+]CC5)N4)(C1)C[C@@](C)(C3)C2 ZINC001219994201 1315363804 /nfs/dbraw/zinc/36/38/04/1315363804.db2.gz GOFLWGXZAAIZEM-ZIQYQJLISA-N 1 3 345.531 2.726 20 0 EFADHO C[C@]12CC3CC(NC(=O)[C@H]4CCC5(CCNCC5)[NH2+]4)(C1)C[C@@](C)(C3)C2 ZINC001219994201 1315363807 /nfs/dbraw/zinc/36/38/07/1315363807.db2.gz GOFLWGXZAAIZEM-ZIQYQJLISA-N 1 3 345.531 2.726 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145034 1315364203 /nfs/dbraw/zinc/36/42/03/1315364203.db2.gz IMVVWPHTZPPPEB-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145034 1315364208 /nfs/dbraw/zinc/36/42/08/1315364208.db2.gz IMVVWPHTZPPPEB-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccccc1 ZINC001220030373 1315366048 /nfs/dbraw/zinc/36/60/48/1315366048.db2.gz DREQPSFDASEFJI-MSOLQXFVSA-N 1 3 329.488 2.764 20 0 EFADHO CC(C)C[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccccc1 ZINC001220030373 1315366052 /nfs/dbraw/zinc/36/60/52/1315366052.db2.gz DREQPSFDASEFJI-MSOLQXFVSA-N 1 3 329.488 2.764 20 0 EFADHO Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](N)CCCC[NH+](C)C ZINC001220076254 1315370458 /nfs/dbraw/zinc/37/04/58/1315370458.db2.gz ZNOCUIQNIFSHNC-HNNXBMFYSA-N 1 3 346.302 2.977 20 0 EFADHO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001251743079 1315374876 /nfs/dbraw/zinc/37/48/76/1315374876.db2.gz NJPDZFUZFUPOMH-LJQANCHMSA-N 1 3 332.488 2.589 20 0 EFADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220162864 1315377739 /nfs/dbraw/zinc/37/77/39/1315377739.db2.gz MOGGBEDOVVMOEM-BNDYYXHWSA-N 1 3 341.499 2.908 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220221301 1315386356 /nfs/dbraw/zinc/38/63/56/1315386356.db2.gz YWFGGGWSNDYVAA-OKYOBFRVSA-N 1 3 329.488 2.859 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220221300 1315386380 /nfs/dbraw/zinc/38/63/80/1315386380.db2.gz YWFGGGWSNDYVAA-HCXYKTFWSA-N 1 3 329.488 2.859 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)C12CC3CC(CC(C3)C1)C2 ZINC001220220755 1315386833 /nfs/dbraw/zinc/38/68/33/1315386833.db2.gz DBKFLFMYTIAZNH-TTZFHSELSA-N 1 3 333.520 2.519 20 0 EFADHO C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1 ZINC001220386351 1315405378 /nfs/dbraw/zinc/40/53/78/1315405378.db2.gz PTNFEGJZPHMSFQ-KRWDZBQOSA-N 1 3 349.519 2.580 20 0 EFADHO CN[C@H](C(=O)N1CCC[C@H]([NH3+])c2cc(C)ccc21)[C@@H](C)OC(C)(C)C ZINC001220384509 1315405441 /nfs/dbraw/zinc/40/54/41/1315405441.db2.gz WJLOQORWGJWMDE-HFTRVMKXSA-N 1 3 347.503 2.913 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001220392357 1315405731 /nfs/dbraw/zinc/40/57/31/1315405731.db2.gz BKXLAOZVHQZDNF-CEXWTWQISA-N 1 3 347.503 2.519 20 0 EFADHO C[NH+]1C(C)(C)CC(NC(=O)C[C@@H]2Cc3ccccc3CN2)CC1(C)C ZINC001220511385 1315422868 /nfs/dbraw/zinc/42/28/68/1315422868.db2.gz VQHBDQAQYJBVHZ-KRWDZBQOSA-N 1 3 343.515 2.859 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192212 1315433024 /nfs/dbraw/zinc/43/30/24/1315433024.db2.gz RGWOYGKADDZZKZ-UYAOXDASSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001054192212 1315433028 /nfs/dbraw/zinc/43/30/28/1315433028.db2.gz RGWOYGKADDZZKZ-UYAOXDASSA-N 1 3 335.536 2.853 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC(C)(C)O)CC2 ZINC001252351917 1315437702 /nfs/dbraw/zinc/43/77/02/1315437702.db2.gz KYZDFOBRMQSYPC-SFHVURJKSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196881 1315441455 /nfs/dbraw/zinc/44/14/55/1315441455.db2.gz PEHBKYXGSAYAGQ-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196881 1315441458 /nfs/dbraw/zinc/44/14/58/1315441458.db2.gz PEHBKYXGSAYAGQ-NRFANRHFSA-N 1 3 347.547 2.999 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196700 1315441856 /nfs/dbraw/zinc/44/18/56/1315441856.db2.gz KVBKYVQZLGIOQE-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001054196700 1315441859 /nfs/dbraw/zinc/44/18/59/1315441859.db2.gz KVBKYVQZLGIOQE-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054198211 1315443937 /nfs/dbraw/zinc/44/39/37/1315443937.db2.gz SHPVDFMLDZRAFL-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054198211 1315443942 /nfs/dbraw/zinc/44/39/42/1315443942.db2.gz SHPVDFMLDZRAFL-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+]1CCC[C@@H](NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252394282 1315444545 /nfs/dbraw/zinc/44/45/45/1315444545.db2.gz MOZOKMLKIISOII-MSOLQXFVSA-N 1 3 328.456 2.653 20 0 EFADHO C[N@H+]1CCC[C@@H](NC[C@H](O)COc2cccc3ccccc32)CC1 ZINC001252394282 1315444549 /nfs/dbraw/zinc/44/45/49/1315444549.db2.gz MOZOKMLKIISOII-MSOLQXFVSA-N 1 3 328.456 2.653 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054199348 1315445218 /nfs/dbraw/zinc/44/52/18/1315445218.db2.gz TYYINGPSQJMUNZ-HOCLYGCPSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054199348 1315445223 /nfs/dbraw/zinc/44/52/23/1315445223.db2.gz TYYINGPSQJMUNZ-HOCLYGCPSA-N 1 3 349.441 2.594 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc2ccccc21 ZINC001252405112 1315448295 /nfs/dbraw/zinc/44/82/95/1315448295.db2.gz BMGAPRHOAAAAPU-SUMDDJOVSA-N 1 3 328.456 2.509 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](O)COc1cccc2ccccc21 ZINC001252405112 1315448300 /nfs/dbraw/zinc/44/83/00/1315448300.db2.gz BMGAPRHOAAAAPU-SUMDDJOVSA-N 1 3 328.456 2.509 20 0 EFADHO Cc1ccc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])c2ccccc2)cc1 ZINC001220763770 1315448587 /nfs/dbraw/zinc/44/85/87/1315448587.db2.gz NXVXDBFCINNQMI-PMACEKPBSA-N 1 3 339.483 2.851 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001054205073 1315454142 /nfs/dbraw/zinc/45/41/42/1315454142.db2.gz KCZNWMULAGLUGB-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001054205073 1315454145 /nfs/dbraw/zinc/45/41/45/1315454145.db2.gz KCZNWMULAGLUGB-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(NC1(c2cccc3ccccc32)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220878689 1315458980 /nfs/dbraw/zinc/45/89/80/1315458980.db2.gz MLMUVMDZJKOWCN-IBGZPJMESA-N 1 3 349.478 2.819 20 0 EFADHO O=C(NC1(c2cccc3ccccc32)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220878689 1315458984 /nfs/dbraw/zinc/45/89/84/1315458984.db2.gz MLMUVMDZJKOWCN-IBGZPJMESA-N 1 3 349.478 2.819 20 0 EFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3cccc(-n4cncn4)c3)C2)C1 ZINC001276817874 1315469472 /nfs/dbraw/zinc/46/94/72/1315469472.db2.gz NULRMRSADYBYMX-LJQANCHMSA-N 1 3 325.460 2.575 20 0 EFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3cccc(-n4cncn4)c3)C2)C1 ZINC001276817874 1315469473 /nfs/dbraw/zinc/46/94/73/1315469473.db2.gz NULRMRSADYBYMX-LJQANCHMSA-N 1 3 325.460 2.575 20 0 EFADHO CCCCC[C@H]([NH2+]C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC001221062832 1315478833 /nfs/dbraw/zinc/47/88/33/1315478833.db2.gz BOTUCLUCHBXHAB-OALUTQOASA-N 1 3 331.504 2.936 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680641 1315485963 /nfs/dbraw/zinc/48/59/63/1315485963.db2.gz DONVHTNGFLUQEV-RTWAWAEBSA-N 1 3 346.515 2.760 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001252680641 1315485966 /nfs/dbraw/zinc/48/59/66/1315485966.db2.gz DONVHTNGFLUQEV-RTWAWAEBSA-N 1 3 346.515 2.760 20 0 EFADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221159676 1315487597 /nfs/dbraw/zinc/48/75/97/1315487597.db2.gz JTDTUTQQUMYAFS-GOSISDBHSA-N 1 3 343.515 2.554 20 0 EFADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221159676 1315487600 /nfs/dbraw/zinc/48/76/00/1315487600.db2.gz JTDTUTQQUMYAFS-GOSISDBHSA-N 1 3 343.515 2.554 20 0 EFADHO CC(C)(C)[C@@H](N)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204367 1315491781 /nfs/dbraw/zinc/49/17/81/1315491781.db2.gz IYXDPHKCOOVLRF-IRXDYDNUSA-N 1 3 335.467 2.746 20 0 EFADHO C[N@@H+]1CCC[C@@](C)(NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001221244195 1315495789 /nfs/dbraw/zinc/49/57/89/1315495789.db2.gz RILNRHVTVQWAGO-GDBMZVCRSA-N 1 3 344.286 2.984 20 0 EFADHO C[N@H+]1CCC[C@@](C)(NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001221244195 1315495792 /nfs/dbraw/zinc/49/57/92/1315495792.db2.gz RILNRHVTVQWAGO-GDBMZVCRSA-N 1 3 344.286 2.984 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764165 1315503295 /nfs/dbraw/zinc/50/32/95/1315503295.db2.gz YROMAUJRJBOQLK-WMZOPIPTSA-N 1 3 334.504 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764165 1315503300 /nfs/dbraw/zinc/50/33/00/1315503300.db2.gz YROMAUJRJBOQLK-WMZOPIPTSA-N 1 3 334.504 2.655 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252765145 1315503634 /nfs/dbraw/zinc/50/36/34/1315503634.db2.gz OSLUHYZEMOVLQT-ZWKOTPCHSA-N 1 3 334.504 2.798 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132667 1315515953 /nfs/dbraw/zinc/51/59/53/1315515953.db2.gz BRTMQSFHVMVMGS-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132667 1315515956 /nfs/dbraw/zinc/51/59/56/1315515956.db2.gz BRTMQSFHVMVMGS-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039133709 1315517007 /nfs/dbraw/zinc/51/70/07/1315517007.db2.gz KRPRLERZKOAVLD-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039133709 1315517010 /nfs/dbraw/zinc/51/70/10/1315517010.db2.gz KRPRLERZKOAVLD-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC001252865577 1315517981 /nfs/dbraw/zinc/51/79/81/1315517981.db2.gz LJCJCTFYOSGJJW-HXUWFJFHSA-N 1 3 343.446 2.756 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134297 1315518532 /nfs/dbraw/zinc/51/85/32/1315518532.db2.gz OKZUOAAJDQMMQO-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134297 1315518536 /nfs/dbraw/zinc/51/85/36/1315518536.db2.gz OKZUOAAJDQMMQO-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134296 1315518935 /nfs/dbraw/zinc/51/89/35/1315518935.db2.gz OKZUOAAJDQMMQO-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134296 1315518939 /nfs/dbraw/zinc/51/89/39/1315518939.db2.gz OKZUOAAJDQMMQO-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135764 1315520749 /nfs/dbraw/zinc/52/07/49/1315520749.db2.gz FKUBJNDABLUXRH-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039135764 1315520753 /nfs/dbraw/zinc/52/07/53/1315520753.db2.gz FKUBJNDABLUXRH-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001054297843 1315535971 /nfs/dbraw/zinc/53/59/71/1315535971.db2.gz DDMXVRSCOZLYOG-QXAKKESOSA-N 1 3 331.504 2.914 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537530 1315548921 /nfs/dbraw/zinc/54/89/21/1315548921.db2.gz FTKKRSKKOILDIV-DRDDEIGGSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537530 1315548923 /nfs/dbraw/zinc/54/89/23/1315548923.db2.gz FTKKRSKKOILDIV-DRDDEIGGSA-N 1 3 333.520 2.748 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253009145 1315551517 /nfs/dbraw/zinc/55/15/17/1315551517.db2.gz GCFWNRPRSBANJZ-ZWKOTPCHSA-N 1 3 326.525 2.608 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159336 1315555953 /nfs/dbraw/zinc/55/59/53/1315555953.db2.gz KQZYGGLUKVNDGO-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159336 1315555957 /nfs/dbraw/zinc/55/59/57/1315555957.db2.gz KQZYGGLUKVNDGO-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221595065 1315558159 /nfs/dbraw/zinc/55/81/59/1315558159.db2.gz QNRAUTMLLPDKHN-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221595065 1315558162 /nfs/dbraw/zinc/55/81/62/1315558162.db2.gz QNRAUTMLLPDKHN-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221595065 1315558166 /nfs/dbraw/zinc/55/81/66/1315558166.db2.gz QNRAUTMLLPDKHN-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21 ZINC001221595065 1315558170 /nfs/dbraw/zinc/55/81/70/1315558170.db2.gz QNRAUTMLLPDKHN-KZNAEPCWSA-N 1 3 339.499 2.533 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594875 1315558396 /nfs/dbraw/zinc/55/83/96/1315558396.db2.gz GTHCAWUBNKZNJB-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594875 1315558397 /nfs/dbraw/zinc/55/83/97/1315558397.db2.gz GTHCAWUBNKZNJB-GUDVDZBRSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588069 1315558681 /nfs/dbraw/zinc/55/86/81/1315558681.db2.gz RTWQOTTYKQPEQN-KZNAEPCWSA-N 1 3 341.515 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588069 1315558684 /nfs/dbraw/zinc/55/86/84/1315558684.db2.gz RTWQOTTYKQPEQN-KZNAEPCWSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CCC4CC4)C3)CC2)C1 ZINC001039163358 1315562068 /nfs/dbraw/zinc/56/20/68/1315562068.db2.gz BBDWHXTUXYSZHD-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CCC4CC4)C3)CC2)C1 ZINC001039163358 1315562072 /nfs/dbraw/zinc/56/20/72/1315562072.db2.gz BBDWHXTUXYSZHD-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164404 1315564108 /nfs/dbraw/zinc/56/41/08/1315564108.db2.gz JJXNJJOGDDTWES-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164404 1315564112 /nfs/dbraw/zinc/56/41/12/1315564112.db2.gz JJXNJJOGDDTWES-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165767 1315565439 /nfs/dbraw/zinc/56/54/39/1315565439.db2.gz SJWOKOAQTAGRMO-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039165767 1315565443 /nfs/dbraw/zinc/56/54/43/1315565443.db2.gz SJWOKOAQTAGRMO-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166364 1315566666 /nfs/dbraw/zinc/56/66/66/1315566666.db2.gz YDWTUGSTWBGPTR-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001039166364 1315566667 /nfs/dbraw/zinc/56/66/67/1315566667.db2.gz YDWTUGSTWBGPTR-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221657212 1315571472 /nfs/dbraw/zinc/57/14/72/1315571472.db2.gz PCYJRUUFKSNXIJ-NVXWUHKLSA-N 1 3 349.544 2.554 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@H]2CCN(CCc3cccs3)C[C@H]21 ZINC001221657212 1315571476 /nfs/dbraw/zinc/57/14/76/1315571476.db2.gz PCYJRUUFKSNXIJ-NVXWUHKLSA-N 1 3 349.544 2.554 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCc3cccs3)C[C@H]21 ZINC001221657212 1315571480 /nfs/dbraw/zinc/57/14/80/1315571480.db2.gz PCYJRUUFKSNXIJ-NVXWUHKLSA-N 1 3 349.544 2.554 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCc3cccs3)C[C@H]21 ZINC001221657212 1315571482 /nfs/dbraw/zinc/57/14/82/1315571482.db2.gz PCYJRUUFKSNXIJ-NVXWUHKLSA-N 1 3 349.544 2.554 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001054735765 1315572990 /nfs/dbraw/zinc/57/29/90/1315572990.db2.gz HNSAOCNCINZILP-PXNSSMCTSA-N 1 3 343.515 2.724 20 0 EFADHO CCN(CC)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001253216330 1315582192 /nfs/dbraw/zinc/58/21/92/1315582192.db2.gz LWNOJNNYHWAMCA-OWCLPIDISA-N 1 3 341.293 2.597 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180922 1315587944 /nfs/dbraw/zinc/58/79/44/1315587944.db2.gz YJRRAOYIWSLOKE-MOPGFXCFSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039180922 1315587948 /nfs/dbraw/zinc/58/79/48/1315587948.db2.gz YJRRAOYIWSLOKE-MOPGFXCFSA-N 1 3 337.552 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039182481 1315589662 /nfs/dbraw/zinc/58/96/62/1315589662.db2.gz OUALMTILIISXGQ-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039182481 1315589664 /nfs/dbraw/zinc/58/96/64/1315589664.db2.gz OUALMTILIISXGQ-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO O[C@@H](CCOCc1ccccc1)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001253296263 1315591269 /nfs/dbraw/zinc/59/12/69/1315591269.db2.gz NFSKIRACGHDQMP-NRFANRHFSA-N 1 3 346.515 2.808 20 0 EFADHO O[C@@H](CCOCc1ccccc1)CNC1CC[NH+](CC2CCC2)CC1 ZINC001253296263 1315591272 /nfs/dbraw/zinc/59/12/72/1315591272.db2.gz NFSKIRACGHDQMP-NRFANRHFSA-N 1 3 346.515 2.808 20 0 EFADHO CC(C)(C)OC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001253467955 1315608015 /nfs/dbraw/zinc/60/80/15/1315608015.db2.gz NERJUPMQLLLBSF-IYWMVGAKSA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)(C)OC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001253467955 1315608018 /nfs/dbraw/zinc/60/80/18/1315608018.db2.gz NERJUPMQLLLBSF-IYWMVGAKSA-N 1 3 346.515 2.948 20 0 EFADHO CC(C)[C@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001253760494 1315635843 /nfs/dbraw/zinc/63/58/43/1315635843.db2.gz HMODSZJSZYIIIF-VQTJNVASSA-N 1 3 346.515 2.759 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001000107167 1315642674 /nfs/dbraw/zinc/64/26/74/1315642674.db2.gz XAOTXURNOBORAB-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC3CCC3)CC2)cc1 ZINC001253847387 1315647464 /nfs/dbraw/zinc/64/74/64/1315647464.db2.gz NTBPFSJLDRRGOP-LJQANCHMSA-N 1 3 332.488 2.589 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001000191829 1315647734 /nfs/dbraw/zinc/64/77/34/1315647734.db2.gz KIGLDSLPFDENDG-APWZRJJASA-N 1 3 347.478 2.721 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001000191853 1315647868 /nfs/dbraw/zinc/64/78/68/1315647868.db2.gz KOLUKQSLEYZLOM-QAPCUYQASA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001000192431 1315647948 /nfs/dbraw/zinc/64/79/48/1315647948.db2.gz MHHKYJZZXOUUQW-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227843 1315649773 /nfs/dbraw/zinc/64/97/73/1315649773.db2.gz CNNILLPNWOXMTR-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227843 1315649774 /nfs/dbraw/zinc/64/97/74/1315649774.db2.gz CNNILLPNWOXMTR-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228683 1315651225 /nfs/dbraw/zinc/65/12/25/1315651225.db2.gz HCDHSPJXIXCNGS-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039228683 1315651227 /nfs/dbraw/zinc/65/12/27/1315651227.db2.gz HCDHSPJXIXCNGS-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239681 1315666786 /nfs/dbraw/zinc/66/67/86/1315666786.db2.gz UOVADVSIOWWFJT-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239681 1315666789 /nfs/dbraw/zinc/66/67/89/1315666789.db2.gz UOVADVSIOWWFJT-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239683 1315666876 /nfs/dbraw/zinc/66/68/76/1315666876.db2.gz UOVADVSIOWWFJT-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239683 1315666879 /nfs/dbraw/zinc/66/68/79/1315666879.db2.gz UOVADVSIOWWFJT-SJLPKXTDSA-N 1 3 332.492 2.701 20 0 EFADHO COC[C@@H]1CCCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035500 1315667614 /nfs/dbraw/zinc/66/76/14/1315667614.db2.gz XMYPZYQXDHTCDA-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO COC[C@@H]1CCCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254035500 1315667617 /nfs/dbraw/zinc/66/76/17/1315667617.db2.gz XMYPZYQXDHTCDA-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)O[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040444 1315668678 /nfs/dbraw/zinc/66/86/78/1315668678.db2.gz TZKHDYIDEOQAEC-IBGZPJMESA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040444 1315668681 /nfs/dbraw/zinc/66/86/81/1315668681.db2.gz TZKHDYIDEOQAEC-IBGZPJMESA-N 1 3 332.488 2.513 20 0 EFADHO O[C@H](C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC001254051539 1315669105 /nfs/dbraw/zinc/66/91/05/1315669105.db2.gz QPBLIEPTLMAVNX-HXUWFJFHSA-N 1 3 346.515 2.544 20 0 EFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254379922 1315699107 /nfs/dbraw/zinc/69/91/07/1315699107.db2.gz IGONHQKWLIYJFH-SFHVURJKSA-N 1 3 329.488 2.937 20 0 EFADHO COCCOc1c(F)cc(C[NH2+][C@H]2CCCN(C)CC2)cc1F ZINC001254511796 1315711584 /nfs/dbraw/zinc/71/15/84/1315711584.db2.gz FWOUWUXCCCVGIM-AWEZNQCLSA-N 1 3 328.403 2.564 20 0 EFADHO CN1CCC[C@@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)CC1 ZINC001254522501 1315716793 /nfs/dbraw/zinc/71/67/93/1315716793.db2.gz NSWHRJNHXWNFJC-GOSISDBHSA-N 1 3 343.519 2.643 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1 ZINC001254522433 1315717061 /nfs/dbraw/zinc/71/70/61/1315717061.db2.gz GBOXWHYTUQLQKE-KRWDZBQOSA-N 1 3 342.487 2.983 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1 ZINC001254522433 1315717064 /nfs/dbraw/zinc/71/70/64/1315717064.db2.gz GBOXWHYTUQLQKE-KRWDZBQOSA-N 1 3 342.487 2.983 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523818 1315717178 /nfs/dbraw/zinc/71/71/78/1315717178.db2.gz WHINEBRZTYIUQO-WSTZPKSXSA-N 1 3 345.487 2.568 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ccccn4)CO3)C2)CC1 ZINC001254523818 1315717179 /nfs/dbraw/zinc/71/71/79/1315717179.db2.gz WHINEBRZTYIUQO-WSTZPKSXSA-N 1 3 345.487 2.568 20 0 EFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254534266 1315721434 /nfs/dbraw/zinc/72/14/34/1315721434.db2.gz VCHYAGYFHCYXDK-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO CCN(C[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254534266 1315721436 /nfs/dbraw/zinc/72/14/36/1315721436.db2.gz VCHYAGYFHCYXDK-NHCUHLMSSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157588 1315745976 /nfs/dbraw/zinc/74/59/76/1315745976.db2.gz IQSQNULRCJYSJK-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]21)N1CCCCCC1 ZINC001050157588 1315745980 /nfs/dbraw/zinc/74/59/80/1315745980.db2.gz IQSQNULRCJYSJK-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375384 1315747629 /nfs/dbraw/zinc/74/76/29/1315747629.db2.gz BNYVUPJSHRFQMA-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCCC1 ZINC001039375384 1315747632 /nfs/dbraw/zinc/74/76/32/1315747632.db2.gz BNYVUPJSHRFQMA-MSOLQXFVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207257 1315749983 /nfs/dbraw/zinc/74/99/83/1315749983.db2.gz HSKUGQSMYWKTMM-RBUKOAKNSA-N 1 3 329.488 2.693 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207257 1315749986 /nfs/dbraw/zinc/74/99/86/1315749986.db2.gz HSKUGQSMYWKTMM-RBUKOAKNSA-N 1 3 329.488 2.693 20 0 EFADHO CC(C)[N@H+](CCCN)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254887185 1315754816 /nfs/dbraw/zinc/75/48/16/1315754816.db2.gz OTGVGLVBRGUFIE-MUJYYYPQSA-N 1 3 325.497 2.691 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254887185 1315754819 /nfs/dbraw/zinc/75/48/19/1315754819.db2.gz OTGVGLVBRGUFIE-MUJYYYPQSA-N 1 3 325.497 2.691 20 0 EFADHO O=C1C[C@@H]2CC([NH2+]CC3CCN(Cc4ccccn4)CC3)C[C@H]2C1 ZINC001254936387 1315760535 /nfs/dbraw/zinc/76/05/35/1315760535.db2.gz VCIWYCUXUHNFPW-IRXDYDNUSA-N 1 3 327.472 2.641 20 0 EFADHO [NH3+]C1(Cc2cccc(F)c2)CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254933321 1315760605 /nfs/dbraw/zinc/76/06/05/1315760605.db2.gz BSBAKHHXKRIHSG-VQFNDLOPSA-N 1 3 330.447 2.919 20 0 EFADHO CN(C)C1CC[NH+]([C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254975089 1315767498 /nfs/dbraw/zinc/76/74/98/1315767498.db2.gz HMVSVPUCPXTWIE-UAGQMJEPSA-N 1 3 337.508 2.800 20 0 EFADHO CN(C)C1CC[NH+]([C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 ZINC001254975090 1315767673 /nfs/dbraw/zinc/76/76/73/1315767673.db2.gz HMVSVPUCPXTWIE-XIRDDKMYSA-N 1 3 337.508 2.800 20 0 EFADHO CCN(CC)CCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2Cc1ccccc1 ZINC001254988798 1315768335 /nfs/dbraw/zinc/76/83/35/1315768335.db2.gz HGYPBCGHVSKIDZ-SEJPIABJSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001413065346 1315772511 /nfs/dbraw/zinc/77/25/11/1315772511.db2.gz XXAASHUXMIPFHU-BHIYHBOVSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001413065346 1315772513 /nfs/dbraw/zinc/77/25/13/1315772513.db2.gz XXAASHUXMIPFHU-BHIYHBOVSA-N 1 3 329.488 2.638 20 0 EFADHO O=C1CCCCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255123246 1315778822 /nfs/dbraw/zinc/77/88/22/1315778822.db2.gz PXYHFGTXRNCZAM-OWZKRDHZSA-N 1 3 341.499 2.784 20 0 EFADHO O=C1CCCCN1CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123246 1315778825 /nfs/dbraw/zinc/77/88/25/1315778825.db2.gz PXYHFGTXRNCZAM-OWZKRDHZSA-N 1 3 341.499 2.784 20 0 EFADHO COC(=O)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136899 1315780552 /nfs/dbraw/zinc/78/05/52/1315780552.db2.gz OKYSQYYOFPSVSZ-AKHDSKFASA-N 1 3 328.456 2.677 20 0 EFADHO COC(=O)[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136899 1315780559 /nfs/dbraw/zinc/78/05/59/1315780559.db2.gz OKYSQYYOFPSVSZ-AKHDSKFASA-N 1 3 328.456 2.677 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422315 1315781070 /nfs/dbraw/zinc/78/10/70/1315781070.db2.gz CXEQJSXLAOXORK-QYZOEREBSA-N 1 3 333.520 2.869 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422315 1315781074 /nfs/dbraw/zinc/78/10/74/1315781074.db2.gz CXEQJSXLAOXORK-QYZOEREBSA-N 1 3 333.520 2.869 20 0 EFADHO CN(CCC1OCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255146492 1315781935 /nfs/dbraw/zinc/78/19/35/1315781935.db2.gz HLRUSOPILSTOED-BWTSREIZSA-N 1 3 330.472 2.877 20 0 EFADHO CN(CCC1OCCO1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255146492 1315781938 /nfs/dbraw/zinc/78/19/38/1315781938.db2.gz HLRUSOPILSTOED-BWTSREIZSA-N 1 3 330.472 2.877 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC(N4CCCC4)C2)C3)cc1 ZINC001255143386 1315782481 /nfs/dbraw/zinc/78/24/81/1315782481.db2.gz LBYFPBNEDSQFNW-PMOLBWCYSA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N2CC(N4CCCC4)C2)C3)cc1 ZINC001255143386 1315782483 /nfs/dbraw/zinc/78/24/83/1315782483.db2.gz LBYFPBNEDSQFNW-PMOLBWCYSA-N 1 3 325.500 2.962 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C2 ZINC001255182157 1315788076 /nfs/dbraw/zinc/78/80/76/1315788076.db2.gz CPQQVXAUFXCQGN-TVFCKZIOSA-N 1 3 337.508 2.992 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CCCC2)CC3)C1 ZINC001050661488 1315792027 /nfs/dbraw/zinc/79/20/27/1315792027.db2.gz VBHDQHMXSQWXGD-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255224844 1315793860 /nfs/dbraw/zinc/79/38/60/1315793860.db2.gz IOUMQFZZXAZNEW-VQHPVUNQSA-N 1 3 337.508 2.991 20 0 EFADHO CN(C)C1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001255235801 1315794755 /nfs/dbraw/zinc/79/47/55/1315794755.db2.gz YJLOBJLBQYNNEY-BJWYYQGGSA-N 1 3 337.508 2.943 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)N3C(=O)OC(C)(C)C)CC2 ZINC001255245509 1315795566 /nfs/dbraw/zinc/79/55/66/1315795566.db2.gz GAQCQIUYGSTIAQ-BJWYYQGGSA-N 1 3 349.519 2.945 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001050681339 1315800777 /nfs/dbraw/zinc/80/07/77/1315800777.db2.gz GLODKIPNCGVDBL-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@@H+](C1CCC(C)(C)CC1)CC2 ZINC001255303840 1315802107 /nfs/dbraw/zinc/80/21/07/1315802107.db2.gz BEBHADZLPIWSFN-UHFFFAOYSA-N 1 3 345.531 2.779 20 0 EFADHO CN(C)CCn1c(=O)ccc2c1CC[N@H+](C1CCC(C)(C)CC1)CC2 ZINC001255303840 1315802109 /nfs/dbraw/zinc/80/21/09/1315802109.db2.gz BEBHADZLPIWSFN-UHFFFAOYSA-N 1 3 345.531 2.779 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724027094 1315803575 /nfs/dbraw/zinc/80/35/75/1315803575.db2.gz IGWZPFNTIHWBHZ-BBWFWOEESA-N 1 3 339.524 3.000 20 0 EFADHO NC(=O)c1ccccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383357 1315814510 /nfs/dbraw/zinc/81/45/10/1315814510.db2.gz IEGZLQRSSAHILY-IBGZPJMESA-N 1 3 337.467 2.930 20 0 EFADHO NC(=O)C1(N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255382476 1315814516 /nfs/dbraw/zinc/81/45/16/1315814516.db2.gz CKEQLAWXTNZAQH-SFHVURJKSA-N 1 3 329.488 2.819 20 0 EFADHO NC(=O)C1(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC001255382476 1315814517 /nfs/dbraw/zinc/81/45/17/1315814517.db2.gz CKEQLAWXTNZAQH-SFHVURJKSA-N 1 3 329.488 2.819 20 0 EFADHO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383899 1315814998 /nfs/dbraw/zinc/81/49/98/1315814998.db2.gz PKXMXAZACNDTON-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO Cc1nc(CC[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)CC2)no1 ZINC001255399452 1315818115 /nfs/dbraw/zinc/81/81/15/1315818115.db2.gz RZCDJAVKWIEMHC-SFHVURJKSA-N 1 3 328.460 2.907 20 0 EFADHO Cc1nc(CC[N@H+](C)[C@H]2CCCN(Cc3ccccc3)CC2)no1 ZINC001255399452 1315818118 /nfs/dbraw/zinc/81/81/18/1315818118.db2.gz RZCDJAVKWIEMHC-SFHVURJKSA-N 1 3 328.460 2.907 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039484250 1315829876 /nfs/dbraw/zinc/82/98/76/1315829876.db2.gz VTFKNXOULFJIRM-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001039484250 1315829880 /nfs/dbraw/zinc/82/98/80/1315829880.db2.gz VTFKNXOULFJIRM-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)N(C)C ZINC001039488724 1315837535 /nfs/dbraw/zinc/83/75/35/1315837535.db2.gz ZUEHWDFYRLTRSN-LJQANCHMSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](CC3CC3)CC3CCC3)CC2)C1 ZINC001039489394 1315838488 /nfs/dbraw/zinc/83/84/88/1315838488.db2.gz UFEIGXHWLCPETJ-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](CC3CC3)CC3CCC3)CC2)C1 ZINC001039489394 1315838489 /nfs/dbraw/zinc/83/84/89/1315838489.db2.gz UFEIGXHWLCPETJ-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH+](CC3CC3)CC3CC3)CC2)CC1 ZINC001039489987 1315839078 /nfs/dbraw/zinc/83/90/78/1315839078.db2.gz GJGOXVNVJAQQDR-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039491010 1315840872 /nfs/dbraw/zinc/84/08/72/1315840872.db2.gz KCYPLTFQFUSDCT-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(CN1CCCC1)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039491010 1315840877 /nfs/dbraw/zinc/84/08/77/1315840877.db2.gz KCYPLTFQFUSDCT-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001255634842 1315851107 /nfs/dbraw/zinc/85/11/07/1315851107.db2.gz IDWAOSMTHUZLRO-AWEZNQCLSA-N 1 3 329.410 2.865 20 0 EFADHO COC(=O)N1CCC2(CC1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255673504 1315855806 /nfs/dbraw/zinc/85/58/06/1315855806.db2.gz CAXDQVADUGMZPM-JWTNVVGKSA-N 1 3 349.519 2.946 20 0 EFADHO COC[C@@H]1COCCC12CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255678591 1315857039 /nfs/dbraw/zinc/85/70/39/1315857039.db2.gz IDCHLZUFJXVNPO-KAKFPZCNSA-N 1 3 336.520 2.767 20 0 EFADHO COc1cccc(OC)c1CN1CCC(n2cccc2CC[NH3+])CC1 ZINC001255928444 1315882003 /nfs/dbraw/zinc/88/20/03/1315882003.db2.gz RVOPLNFZCLOFSH-UHFFFAOYSA-N 1 3 343.471 2.844 20 0 EFADHO COc1cccc(OC)c1CN1CCC([NH2+]C(C)(C)C(C)(C)N)CC1 ZINC001255928573 1315882020 /nfs/dbraw/zinc/88/20/20/1315882020.db2.gz VPDABXYAEWGOOQ-UHFFFAOYSA-N 1 3 349.519 2.774 20 0 EFADHO COc1cccc(OC)c1CN1CCC(NC(C)(C)C(C)(C)[NH3+])CC1 ZINC001255928573 1315882024 /nfs/dbraw/zinc/88/20/24/1315882024.db2.gz VPDABXYAEWGOOQ-UHFFFAOYSA-N 1 3 349.519 2.774 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940980 1315882464 /nfs/dbraw/zinc/88/24/64/1315882464.db2.gz KPXUZPGOEUNPGS-CAOSSQGBSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001255940980 1315882468 /nfs/dbraw/zinc/88/24/68/1315882468.db2.gz KPXUZPGOEUNPGS-CAOSSQGBSA-N 1 3 325.497 2.562 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CC1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001255941608 1315882657 /nfs/dbraw/zinc/88/26/57/1315882657.db2.gz VBUZOZSYSHCKFE-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(N2CCOCC2)CCCCC1 ZINC001255944712 1315883155 /nfs/dbraw/zinc/88/31/55/1315883155.db2.gz YIVSZLOMCPSHPX-SFHVURJKSA-N 1 3 325.541 2.732 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946546 1315883371 /nfs/dbraw/zinc/88/33/71/1315883371.db2.gz AVRVZKKZILHADC-GJZGRUSLSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC[C@@H]1CC(=O)Nc2cc(OC)ccc21 ZINC001255946546 1315883372 /nfs/dbraw/zinc/88/33/72/1315883372.db2.gz AVRVZKKZILHADC-GJZGRUSLSA-N 1 3 333.476 2.831 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001255953042 1315883885 /nfs/dbraw/zinc/88/38/85/1315883885.db2.gz HYTFGFZSBICQEM-HOTGVXAUSA-N 1 3 335.467 2.750 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC001255953855 1315884393 /nfs/dbraw/zinc/88/43/93/1315884393.db2.gz PWTKKHKKWOWBOP-HKUYNNGSSA-N 1 3 333.520 2.980 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2cccc(OC)c2)C1 ZINC001255953856 1315884484 /nfs/dbraw/zinc/88/44/84/1315884484.db2.gz PWTKKHKKWOWBOP-MJGOQNOKSA-N 1 3 333.520 2.980 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2cc(OC)ccn2)CCOCC1 ZINC001255954597 1315884699 /nfs/dbraw/zinc/88/46/99/1315884699.db2.gz YIEPUZWHFSRPCQ-KRWDZBQOSA-N 1 3 349.519 2.848 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(C(=O)c2ccncc2)CC1 ZINC001255954123 1315884866 /nfs/dbraw/zinc/88/48/66/1315884866.db2.gz SQLITDVLVUAOQQ-KRWDZBQOSA-N 1 3 346.519 2.644 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(C(=O)c2cccnc2)CC1 ZINC001255954401 1315884892 /nfs/dbraw/zinc/88/48/92/1315884892.db2.gz WAPBDNHLOKOJSH-QGZVFWFLSA-N 1 3 346.519 2.644 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001255960551 1315885340 /nfs/dbraw/zinc/88/53/40/1315885340.db2.gz SVJPDNWKNBOYOK-OTWHNJEPSA-N 1 3 345.535 2.664 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001255960551 1315885343 /nfs/dbraw/zinc/88/53/43/1315885343.db2.gz SVJPDNWKNBOYOK-OTWHNJEPSA-N 1 3 345.535 2.664 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CN(c3ccc(C)nn3)CC[C@@H]2C1 ZINC001255960551 1315885345 /nfs/dbraw/zinc/88/53/45/1315885345.db2.gz SVJPDNWKNBOYOK-OTWHNJEPSA-N 1 3 345.535 2.664 20 0 EFADHO CCN(CC)CC[C@H](C)[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001255963270 1315886637 /nfs/dbraw/zinc/88/66/37/1315886637.db2.gz OVEZBCWIMBVESB-SZMVWBNQSA-N 1 3 349.544 2.872 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001039621506 1315887504 /nfs/dbraw/zinc/88/75/04/1315887504.db2.gz XFTQKUUYYWZURP-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001039621506 1315887508 /nfs/dbraw/zinc/88/75/08/1315887508.db2.gz XFTQKUUYYWZURP-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001039621506 1315887510 /nfs/dbraw/zinc/88/75/10/1315887510.db2.gz XFTQKUUYYWZURP-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001039621506 1315887514 /nfs/dbraw/zinc/88/75/14/1315887514.db2.gz XFTQKUUYYWZURP-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039652534 1315890460 /nfs/dbraw/zinc/89/04/60/1315890460.db2.gz DHNCUXDHXLOOTI-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039652534 1315890463 /nfs/dbraw/zinc/89/04/63/1315890463.db2.gz DHNCUXDHXLOOTI-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](CN)C[N@H+](Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051720 1315896710 /nfs/dbraw/zinc/89/67/10/1315896710.db2.gz NDRAZOGLFMWCSC-KRWDZBQOSA-N 1 3 339.487 2.542 20 0 EFADHO C[C@@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051720 1315896715 /nfs/dbraw/zinc/89/67/15/1315896715.db2.gz NDRAZOGLFMWCSC-KRWDZBQOSA-N 1 3 339.487 2.542 20 0 EFADHO C[C@@H](C[NH3+])CN(Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051720 1315896718 /nfs/dbraw/zinc/89/67/18/1315896718.db2.gz NDRAZOGLFMWCSC-KRWDZBQOSA-N 1 3 339.487 2.542 20 0 EFADHO C[C@H](CN)C[N@H+](Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051721 1315896902 /nfs/dbraw/zinc/89/69/02/1315896902.db2.gz NDRAZOGLFMWCSC-QGZVFWFLSA-N 1 3 339.487 2.542 20 0 EFADHO C[C@H](CN)C[N@@H+](Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051721 1315896907 /nfs/dbraw/zinc/89/69/07/1315896907.db2.gz NDRAZOGLFMWCSC-QGZVFWFLSA-N 1 3 339.487 2.542 20 0 EFADHO C[C@H](C[NH3+])CN(Cc1ccccc1)C1CCN(c2ncccn2)CC1 ZINC001256051721 1315896910 /nfs/dbraw/zinc/89/69/10/1315896910.db2.gz NDRAZOGLFMWCSC-QGZVFWFLSA-N 1 3 339.487 2.542 20 0 EFADHO C(O[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](C3CC3)CC1)C2)C1CC1 ZINC001256077048 1315901440 /nfs/dbraw/zinc/90/14/40/1315901440.db2.gz MEECXKQGKKZDJI-VQTJNVASSA-N 1 3 334.504 2.663 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039717858 1315911924 /nfs/dbraw/zinc/91/19/24/1315911924.db2.gz FYKPFEAJASWBSQ-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039717858 1315911927 /nfs/dbraw/zinc/91/19/27/1315911927.db2.gz FYKPFEAJASWBSQ-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039718209 1315912309 /nfs/dbraw/zinc/91/23/09/1315912309.db2.gz RSRBJNHFQFRZGG-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039718209 1315912313 /nfs/dbraw/zinc/91/23/13/1315912313.db2.gz RSRBJNHFQFRZGG-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](Oc3cccc(Br)c3)C2)CC1 ZINC001256214454 1315919829 /nfs/dbraw/zinc/91/98/29/1315919829.db2.gz JAWYXCOZZQZBBO-MRXNPFEDSA-N 1 3 339.277 2.996 20 0 EFADHO CCOC(=O)N1CCC(N2CCC([NH3+])(Cc3ccccc3)CC2)CC1 ZINC001256236616 1315921838 /nfs/dbraw/zinc/92/18/38/1315921838.db2.gz RBGYHPSVZNQQGD-UHFFFAOYSA-N 1 3 345.487 2.643 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001256297056 1315926814 /nfs/dbraw/zinc/92/68/14/1315926814.db2.gz UJQRYESJFCIMKO-IYBDPMFKSA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001256297056 1315926819 /nfs/dbraw/zinc/92/68/19/1315926819.db2.gz UJQRYESJFCIMKO-IYBDPMFKSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC[C@H]2CCCN2C)CCN1C(=O)OC(C)(C)C ZINC001256464574 1315944132 /nfs/dbraw/zinc/94/41/32/1315944132.db2.gz ZHWJAVABJCFMBK-ARFHVFGLSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001052443898 1315948185 /nfs/dbraw/zinc/94/81/85/1315948185.db2.gz BEIFCDSHDVOVIG-OQRFJMDLSA-N 1 3 341.927 2.973 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001052443898 1315948187 /nfs/dbraw/zinc/94/81/87/1315948187.db2.gz BEIFCDSHDVOVIG-OQRFJMDLSA-N 1 3 341.927 2.973 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039795858 1315949261 /nfs/dbraw/zinc/94/92/61/1315949261.db2.gz JXQFKNIOQJDAQR-HSALFYBXSA-N 1 3 345.531 2.726 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256559929 1315958905 /nfs/dbraw/zinc/95/89/05/1315958905.db2.gz OUBJWIRECIGXJC-LAUBAEHRSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001256559929 1315958906 /nfs/dbraw/zinc/95/89/06/1315958906.db2.gz OUBJWIRECIGXJC-LAUBAEHRSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(COC(=O)N3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256560712 1315959115 /nfs/dbraw/zinc/95/91/15/1315959115.db2.gz SPGYQPNNCRWAKU-SJLPKXTDSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(COC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256560712 1315959118 /nfs/dbraw/zinc/95/91/18/1315959118.db2.gz SPGYQPNNCRWAKU-SJLPKXTDSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(COC(=O)N3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256560706 1315959175 /nfs/dbraw/zinc/95/91/75/1315959175.db2.gz SPGYQPNNCRWAKU-AEFFLSMTSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@@H]1C[C@@H](N2CCC3(COC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256560706 1315959178 /nfs/dbraw/zinc/95/91/78/1315959178.db2.gz SPGYQPNNCRWAKU-AEFFLSMTSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(COC(=O)N3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256560713 1315959382 /nfs/dbraw/zinc/95/93/82/1315959382.db2.gz SPGYQPNNCRWAKU-WMZOPIPTSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(COC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256560713 1315959383 /nfs/dbraw/zinc/95/93/83/1315959383.db2.gz SPGYQPNNCRWAKU-WMZOPIPTSA-N 1 3 343.471 2.614 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2(c3ccncc3)CCOCC2)CC1 ZINC001256567273 1315960626 /nfs/dbraw/zinc/96/06/26/1315960626.db2.gz SMZQLQSUBDHSOS-UHFFFAOYSA-N 1 3 331.504 2.982 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256569993 1315960725 /nfs/dbraw/zinc/96/07/25/1315960725.db2.gz VPJJOULQSCBSLP-ZSHCYNCHSA-N 1 3 337.508 2.704 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001256568966 1315960967 /nfs/dbraw/zinc/96/09/67/1315960967.db2.gz MLNJKCNZBYDYRD-INIZCTEOSA-N 1 3 326.431 2.721 20 0 EFADHO CC(C)(C)[NH+]1CCC(N2CC3(C2)CCN(Cc2cccnc2)C3)CC1 ZINC001256572324 1315961349 /nfs/dbraw/zinc/96/13/49/1315961349.db2.gz FXZQHJUAGAXIOE-UHFFFAOYSA-N 1 3 342.531 2.852 20 0 EFADHO CCO[C@H]1CC[N@@H+](C2CCN(C(C)(C)C)CC2)[C@H]1Cc1cnn(C)c1 ZINC001256570741 1315961475 /nfs/dbraw/zinc/96/14/75/1315961475.db2.gz OXJXXYABHWYTMT-OALUTQOASA-N 1 3 348.535 2.705 20 0 EFADHO CCO[C@H]1CC[N@H+](C2CCN(C(C)(C)C)CC2)[C@H]1Cc1cnn(C)c1 ZINC001256570741 1315961479 /nfs/dbraw/zinc/96/14/79/1315961479.db2.gz OXJXXYABHWYTMT-OALUTQOASA-N 1 3 348.535 2.705 20 0 EFADHO CC(C)(C)[NH+]1CCC(n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001256575575 1315962253 /nfs/dbraw/zinc/96/22/53/1315962253.db2.gz QXFIKFHSASLLPW-UHFFFAOYSA-N 1 3 330.398 2.983 20 0 EFADHO [NH3+]CCc1cn(C2CCN(Cc3ccncc3)CC2)c2cccnc12 ZINC001256583069 1315963950 /nfs/dbraw/zinc/96/39/50/1315963950.db2.gz TWNNBWQRXIVQOM-UHFFFAOYSA-N 1 3 335.455 2.770 20 0 EFADHO [NH3+]CCc1nn(C2CCN(Cc3ccncc3)CC2)c2ccccc12 ZINC001256582498 1315964339 /nfs/dbraw/zinc/96/43/39/1315964339.db2.gz GYHNYOQGGHQZDS-UHFFFAOYSA-N 1 3 335.455 2.770 20 0 EFADHO CC(C)N1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001256587493 1315965618 /nfs/dbraw/zinc/96/56/18/1315965618.db2.gz INXQTBGERNOYTE-YLJYHZDGSA-N 1 3 330.520 2.754 20 0 EFADHO c1cc(CN2CCC(N3CCCC[C@H]3C[NH+]3CCCC3)CC2)ccn1 ZINC001256590116 1315965680 /nfs/dbraw/zinc/96/56/80/1315965680.db2.gz CVLOHRFEYNCQJY-NRFANRHFSA-N 1 3 342.531 2.996 20 0 EFADHO Nc1ccc([C@H](CCO)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001256601404 1315967633 /nfs/dbraw/zinc/96/76/33/1315967633.db2.gz WRMDXSWFHPUAED-NRFANRHFSA-N 1 3 339.483 2.947 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628628 1315972797 /nfs/dbraw/zinc/97/27/97/1315972797.db2.gz MSTDPSXMHKZFGK-LVYZTWJOSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628628 1315972800 /nfs/dbraw/zinc/97/28/00/1315972800.db2.gz MSTDPSXMHKZFGK-LVYZTWJOSA-N 1 3 337.508 2.943 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1OC ZINC001256677588 1315979967 /nfs/dbraw/zinc/97/99/67/1315979967.db2.gz FYXZIBBXCZJROV-FAEJEUNOSA-N 1 3 348.487 2.998 20 0 EFADHO FC(F)(F)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cn1 ZINC001256678552 1315980056 /nfs/dbraw/zinc/98/00/56/1315980056.db2.gz NUIZXFHOOALHOW-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO Cc1ccnc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256681181 1315981055 /nfs/dbraw/zinc/98/10/55/1315981055.db2.gz MZGCXUMRWNCVRD-UHFFFAOYSA-N 1 3 331.504 2.901 20 0 EFADHO Cc1ccccc1OC[C@@H](C)[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681775 1315981122 /nfs/dbraw/zinc/98/11/22/1315981122.db2.gz BXYWTUAPFSMJNR-LMDPOFIKSA-N 1 3 332.488 2.995 20 0 EFADHO NC(=[NH2+])N(c1ccc(Cl)cc1)C1CCC(N2CCOCC2)CC1 ZINC001256687026 1315981487 /nfs/dbraw/zinc/98/14/87/1315981487.db2.gz KDMQNOSJZFTEDX-UHFFFAOYSA-N 1 3 336.867 2.683 20 0 EFADHO OC1([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)c2ccccc2)CCC1 ZINC001256683717 1315981517 /nfs/dbraw/zinc/98/15/17/1315981517.db2.gz GIVOSECIXCUJDL-SOAGJPPSSA-N 1 3 344.499 2.876 20 0 EFADHO Oc1ccc(CC2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256687916 1315982463 /nfs/dbraw/zinc/98/24/63/1315982463.db2.gz KPXJIUWOQXLKPW-UHFFFAOYSA-N 1 3 330.472 2.700 20 0 EFADHO [NH3+]Cc1ccc(-c2cncn2C2CCC(N3CCOCC3)CC2)cc1 ZINC001256688040 1315982503 /nfs/dbraw/zinc/98/25/03/1315982503.db2.gz NDSVJJGTLXEGNX-UHFFFAOYSA-N 1 3 340.471 2.825 20 0 EFADHO c1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CS2 ZINC001256688089 1315982510 /nfs/dbraw/zinc/98/25/10/1315982510.db2.gz PFUDWFJGHCDZNF-LXPRWKDFSA-N 1 3 332.513 2.936 20 0 EFADHO CN(CC[N@H+](C)C1CCC(N2CCOCC2)CC1)Cc1ccccc1 ZINC001256696883 1315983554 /nfs/dbraw/zinc/98/35/54/1315983554.db2.gz OUXMQOHGKDRJIG-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO CN(CC[N@@H+](C)C1CCC(N2CCOCC2)CC1)Cc1ccccc1 ZINC001256696883 1315983556 /nfs/dbraw/zinc/98/35/56/1315983556.db2.gz OUXMQOHGKDRJIG-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO COC(=O)c1cccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)c1 ZINC001256695743 1315983650 /nfs/dbraw/zinc/98/36/50/1315983650.db2.gz LEAJUDPDNFNIGZ-UHFFFAOYSA-N 1 3 346.471 2.548 20 0 EFADHO COC(=O)c1cccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)c1 ZINC001256695743 1315983653 /nfs/dbraw/zinc/98/36/53/1315983653.db2.gz LEAJUDPDNFNIGZ-UHFFFAOYSA-N 1 3 346.471 2.548 20 0 EFADHO C[C@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCCC1 ZINC000827473978 1315987421 /nfs/dbraw/zinc/98/74/21/1315987421.db2.gz MNYZCKKILTYITC-MRXNPFEDSA-N 1 3 342.487 2.594 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256797789 1315992412 /nfs/dbraw/zinc/99/24/12/1315992412.db2.gz DHMUQEJAXMEOQH-VQTJNVASSA-N 1 3 331.504 2.522 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256809303 1315993461 /nfs/dbraw/zinc/99/34/61/1315993461.db2.gz YJELSVSXQLLAQC-RTWAWAEBSA-N 1 3 345.531 2.866 20 0 EFADHO COC(=O)c1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(OC)c1 ZINC001137455103 1316004527 /nfs/dbraw/zinc/00/45/27/1316004527.db2.gz FTPOELQHRHSWDH-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256895046 1316006263 /nfs/dbraw/zinc/00/62/63/1316006263.db2.gz QIDNRESBQUEHEL-HOTGVXAUSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256895046 1316006266 /nfs/dbraw/zinc/00/62/66/1316006266.db2.gz QIDNRESBQUEHEL-HOTGVXAUSA-N 1 3 337.508 2.992 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256908620 1316008136 /nfs/dbraw/zinc/00/81/36/1316008136.db2.gz PMKVCTIURFYKSM-RTBURBONSA-N 1 3 341.499 2.898 20 0 EFADHO O=C(c1ccccc1)N1CC[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256908620 1316008137 /nfs/dbraw/zinc/00/81/37/1316008137.db2.gz PMKVCTIURFYKSM-RTBURBONSA-N 1 3 341.499 2.898 20 0 EFADHO NCc1cc(-c2ccncc2)nn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256908892 1316008320 /nfs/dbraw/zinc/00/83/20/1316008320.db2.gz RIXWOLVVXLDZQM-KRWDZBQOSA-N 1 3 325.460 2.983 20 0 EFADHO NCc1cc(-c2ccncc2)nn1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908892 1316008325 /nfs/dbraw/zinc/00/83/25/1316008325.db2.gz RIXWOLVVXLDZQM-KRWDZBQOSA-N 1 3 325.460 2.983 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913800 1316015333 /nfs/dbraw/zinc/01/53/33/1316015333.db2.gz DSPIBMXGDYVDER-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1 ZINC001039913800 1316015335 /nfs/dbraw/zinc/01/53/35/1316015335.db2.gz DSPIBMXGDYVDER-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914011 1316016279 /nfs/dbraw/zinc/01/62/79/1316016279.db2.gz HLJMXKIKMBCBJR-OQIJWPOYSA-N 1 3 347.547 2.686 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)(C)C1 ZINC001039914011 1316016284 /nfs/dbraw/zinc/01/62/84/1316016284.db2.gz HLJMXKIKMBCBJR-OQIJWPOYSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC1 ZINC001039963452 1316037512 /nfs/dbraw/zinc/03/75/12/1316037512.db2.gz SFKFXKHMILUXDO-BGYRXZFFSA-N 1 3 347.547 2.972 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039972569 1316042564 /nfs/dbraw/zinc/04/25/64/1316042564.db2.gz QYNQLBZRKCPMRV-WTGUMLROSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 ZINC001257215764 1316047539 /nfs/dbraw/zinc/04/75/39/1316047539.db2.gz YSNQHMHZSSNOQN-DOTOQJQBSA-N 1 3 337.508 2.800 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(C[C@H]3C(=O)NC3CCC3)CC2)CC1 ZINC001257216641 1316048228 /nfs/dbraw/zinc/04/82/28/1316048228.db2.gz MVKAYTXBMIQHKI-SFHVURJKSA-N 1 3 333.520 2.630 20 0 EFADHO CCC[C@H](CC)N1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001257259688 1316052068 /nfs/dbraw/zinc/05/20/68/1316052068.db2.gz MEVFGBCVTCSRNP-KRWDZBQOSA-N 1 3 334.508 2.870 20 0 EFADHO CCC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257306424 1316055081 /nfs/dbraw/zinc/05/50/81/1316055081.db2.gz REGNPRFHXUXYMA-WMZOPIPTSA-N 1 3 331.504 2.580 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)c1 ZINC001040014072 1316055160 /nfs/dbraw/zinc/05/51/60/1316055160.db2.gz DLORPOOQEKXTAK-BGYRXZFFSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258001667 1316108422 /nfs/dbraw/zinc/10/84/22/1316108422.db2.gz ZXBFVYUKHPMFPW-UHFFFAOYSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC001258005825 1316109024 /nfs/dbraw/zinc/10/90/24/1316109024.db2.gz WLOXZKPUQHUQJN-HXUWFJFHSA-N 1 3 331.504 2.602 20 0 EFADHO CC(C)C[NH+]1CCC(NC23CC(NC(=O)OC(C)(C)C)(C2)C3)CC1 ZINC001258008852 1316109365 /nfs/dbraw/zinc/10/93/65/1316109365.db2.gz HBRMWHZQRNUYEG-UHFFFAOYSA-N 1 3 337.508 2.896 20 0 EFADHO CC(C)CN1CCC([NH2+]CCc2ccc(CC(=O)N(C)C)cc2)CC1 ZINC001258008698 1316109662 /nfs/dbraw/zinc/10/96/62/1316109662.db2.gz DVMDTGJAPWCIGA-UHFFFAOYSA-N 1 3 345.531 2.570 20 0 EFADHO CC(C)C[NH+]1CCC(n2nc(C(F)(F)F)c3c2CNCC3)CC1 ZINC001258017553 1316111201 /nfs/dbraw/zinc/11/12/01/1316111201.db2.gz LTSFAGRFQADYHN-UHFFFAOYSA-N 1 3 330.398 2.841 20 0 EFADHO CC(C)=CCC[C@@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258088271 1316118634 /nfs/dbraw/zinc/11/86/34/1316118634.db2.gz KSXGXEOHRYYPLN-GOSISDBHSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)=CCC[C@@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258088271 1316118637 /nfs/dbraw/zinc/11/86/37/1316118637.db2.gz KSXGXEOHRYYPLN-GOSISDBHSA-N 1 3 345.531 2.945 20 0 EFADHO c1ccc(CC[NH+]2CCC(N3CCN(CC4CC4)CC3)CC2)cc1 ZINC001258145769 1316124544 /nfs/dbraw/zinc/12/45/44/1316124544.db2.gz KXEYBKHZOWGSAW-UHFFFAOYSA-N 1 3 327.516 2.721 20 0 EFADHO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001258176189 1316127809 /nfs/dbraw/zinc/12/78/09/1316127809.db2.gz LWEZUZLZFWATQL-QGZVFWFLSA-N 1 3 327.472 2.748 20 0 EFADHO C[C@@H](Cc1ccco1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001258176318 1316128113 /nfs/dbraw/zinc/12/81/13/1316128113.db2.gz PPJLFXFKRXYWFC-KRWDZBQOSA-N 1 3 327.472 2.748 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCSC)C2 ZINC001258215278 1316132015 /nfs/dbraw/zinc/13/20/15/1316132015.db2.gz ADPJJKPTKZXGBC-RYQLBKOJSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@@H](C)CCSC)C2 ZINC001258215278 1316132016 /nfs/dbraw/zinc/13/20/16/1316132016.db2.gz ADPJJKPTKZXGBC-RYQLBKOJSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCSC)C2 ZINC001258215277 1316132171 /nfs/dbraw/zinc/13/21/71/1316132171.db2.gz ADPJJKPTKZXGBC-BPQIPLTHSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCSC)C2 ZINC001258215277 1316132174 /nfs/dbraw/zinc/13/21/74/1316132174.db2.gz ADPJJKPTKZXGBC-BPQIPLTHSA-N 1 3 326.550 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040206881 1316143480 /nfs/dbraw/zinc/14/34/80/1316143480.db2.gz ZOOKONQEGFTDON-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040206881 1316143483 /nfs/dbraw/zinc/14/34/83/1316143483.db2.gz ZOOKONQEGFTDON-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO COC(=O)CC[C@@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001258375715 1316145772 /nfs/dbraw/zinc/14/57/72/1316145772.db2.gz VBKQHLVBAIKLMZ-QGZVFWFLSA-N 1 3 330.472 2.926 20 0 EFADHO COc1ccc(CC[C@@H](C)[NH2+]CCN2CCN(C(C)C)CC2)cc1 ZINC001258390343 1316147381 /nfs/dbraw/zinc/14/73/81/1316147381.db2.gz LZEYYNVNKMNWDW-GOSISDBHSA-N 1 3 333.520 2.632 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398287 1316148531 /nfs/dbraw/zinc/14/85/31/1316148531.db2.gz RMHSQICWBHAAME-MRXNPFEDSA-N 1 3 348.487 2.763 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC001258398287 1316148534 /nfs/dbraw/zinc/14/85/34/1316148534.db2.gz RMHSQICWBHAAME-MRXNPFEDSA-N 1 3 348.487 2.763 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040235867 1316158034 /nfs/dbraw/zinc/15/80/34/1316158034.db2.gz HPTPIEKHAPOBTA-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040235867 1316158036 /nfs/dbraw/zinc/15/80/36/1316158036.db2.gz HPTPIEKHAPOBTA-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236743 1316158053 /nfs/dbraw/zinc/15/80/53/1316158053.db2.gz PAZWCKDZVSHAMC-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236743 1316158054 /nfs/dbraw/zinc/15/80/54/1316158054.db2.gz PAZWCKDZVSHAMC-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236260 1316158225 /nfs/dbraw/zinc/15/82/25/1316158225.db2.gz KKBLIZXIEOKJFR-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236260 1316158226 /nfs/dbraw/zinc/15/82/26/1316158226.db2.gz KKBLIZXIEOKJFR-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)C1CCC1 ZINC001040241159 1316160897 /nfs/dbraw/zinc/16/08/97/1316160897.db2.gz MNMMDUFBVRAAIM-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2)C1CCC1 ZINC001040241159 1316160900 /nfs/dbraw/zinc/16/09/00/1316160900.db2.gz MNMMDUFBVRAAIM-FQEVSTJZSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040250172 1316165756 /nfs/dbraw/zinc/16/57/56/1316165756.db2.gz MCCCZQUNMVBCMY-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040250172 1316165759 /nfs/dbraw/zinc/16/57/59/1316165759.db2.gz MCCCZQUNMVBCMY-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699530 1316172642 /nfs/dbraw/zinc/17/26/42/1316172642.db2.gz WBNMWFVFMAQJTR-RDJZCZTQSA-N 1 3 346.519 2.725 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699530 1316172643 /nfs/dbraw/zinc/17/26/43/1316172643.db2.gz WBNMWFVFMAQJTR-RDJZCZTQSA-N 1 3 346.519 2.725 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3cccc(OC)c3)C2)CC1 ZINC001258770152 1316175773 /nfs/dbraw/zinc/17/57/73/1316175773.db2.gz TYKNLXLWGSGVFM-IBGZPJMESA-N 1 3 331.504 2.734 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)c3ccccc3F)C2)CC1 ZINC001258770295 1316176092 /nfs/dbraw/zinc/17/60/92/1316176092.db2.gz WIZBPVIFXDSAPV-INIZCTEOSA-N 1 3 333.451 2.504 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001258776647 1316178384 /nfs/dbraw/zinc/17/83/84/1316178384.db2.gz FFOUHNYIFRMGIV-NRFANRHFSA-N 1 3 345.531 2.694 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001258776647 1316178386 /nfs/dbraw/zinc/17/83/86/1316178386.db2.gz FFOUHNYIFRMGIV-NRFANRHFSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@@H](C)C[C@H](CC)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792604 1316179266 /nfs/dbraw/zinc/17/92/66/1316179266.db2.gz HMLQAEJZNYMIQB-WBVHZDCISA-N 1 3 334.508 2.725 20 0 EFADHO CC[C@@H](C)C[C@H](CC)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792604 1316179267 /nfs/dbraw/zinc/17/92/67/1316179267.db2.gz HMLQAEJZNYMIQB-WBVHZDCISA-N 1 3 334.508 2.725 20 0 EFADHO CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792600 1316179441 /nfs/dbraw/zinc/17/94/41/1316179441.db2.gz HMLQAEJZNYMIQB-NVXWUHKLSA-N 1 3 334.508 2.725 20 0 EFADHO CC[C@@H](C)C[C@@H](CC)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792600 1316179443 /nfs/dbraw/zinc/17/94/43/1316179443.db2.gz HMLQAEJZNYMIQB-NVXWUHKLSA-N 1 3 334.508 2.725 20 0 EFADHO CC(C)C1CCC(N2CCC([NH+]3CCC(C(N)=O)CC3)CC2)CC1 ZINC001258805226 1316180114 /nfs/dbraw/zinc/18/01/14/1316180114.db2.gz IXKUJQMGNHEMDB-UHFFFAOYSA-N 1 3 335.536 2.863 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1cn(Cc2ccncc2)cn1 ZINC001258904145 1316190827 /nfs/dbraw/zinc/19/08/27/1316190827.db2.gz DNNGEVKISDSBKC-QGZVFWFLSA-N 1 3 329.492 2.927 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NCc1ccccc1S(C)(=O)=O ZINC001258903594 1316190887 /nfs/dbraw/zinc/19/08/87/1316190887.db2.gz VEHUYKLHWTWVBT-OAHLLOKOSA-N 1 3 326.506 2.690 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001258906995 1316191057 /nfs/dbraw/zinc/19/10/57/1316191057.db2.gz CLDAMLFLGUYZSU-FPOVZHCZSA-N 1 3 347.547 2.676 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)C1 ZINC001040392038 1316239057 /nfs/dbraw/zinc/23/90/57/1316239057.db2.gz SKBVRBQCSZVBGR-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)C1 ZINC001040392038 1316239060 /nfs/dbraw/zinc/23/90/60/1316239060.db2.gz SKBVRBQCSZVBGR-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394574 1316240984 /nfs/dbraw/zinc/24/09/84/1316240984.db2.gz JKTOCKZDGBMYTG-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001040394574 1316240985 /nfs/dbraw/zinc/24/09/85/1316240985.db2.gz JKTOCKZDGBMYTG-ICSRJNTNSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCC2)C3)C1 ZINC001040397168 1316242927 /nfs/dbraw/zinc/24/29/27/1316242927.db2.gz YETHQXMBRIWHDZ-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCC2)C3)C1 ZINC001040397168 1316242929 /nfs/dbraw/zinc/24/29/29/1316242929.db2.gz YETHQXMBRIWHDZ-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2)N(C)C ZINC001040401140 1316243762 /nfs/dbraw/zinc/24/37/62/1316243762.db2.gz XQJJHKLQPKHEJX-PKOBYXMFSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2)N(C)C ZINC001040401140 1316243764 /nfs/dbraw/zinc/24/37/64/1316243764.db2.gz XQJJHKLQPKHEJX-PKOBYXMFSA-N 1 3 349.544 2.903 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001040421990 1316254409 /nfs/dbraw/zinc/25/44/09/1316254409.db2.gz ITLDMXCRNPEDJS-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001040421990 1316254412 /nfs/dbraw/zinc/25/44/12/1316254412.db2.gz ITLDMXCRNPEDJS-FQEVSTJZSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040430347 1316260130 /nfs/dbraw/zinc/26/01/30/1316260130.db2.gz BFYRCMNEGMTFQF-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040430347 1316260132 /nfs/dbraw/zinc/26/01/32/1316260132.db2.gz BFYRCMNEGMTFQF-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040430835 1316260755 /nfs/dbraw/zinc/26/07/55/1316260755.db2.gz CYMBAFQBZCAZRY-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040430835 1316260757 /nfs/dbraw/zinc/26/07/57/1316260757.db2.gz CYMBAFQBZCAZRY-ICSRJNTNSA-N 1 3 335.536 2.972 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530816 1316310334 /nfs/dbraw/zinc/31/03/34/1316310334.db2.gz JOKXKPPJPGUJIP-MJGOQNOKSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530816 1316310335 /nfs/dbraw/zinc/31/03/35/1316310335.db2.gz JOKXKPPJPGUJIP-MJGOQNOKSA-N 1 3 347.528 2.514 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC001040640504 1316341590 /nfs/dbraw/zinc/34/15/90/1316341590.db2.gz BJXQSKNDDAABNP-KRWDZBQOSA-N 1 3 347.528 2.657 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)[C@@H](C4CC4)N(C)C)C3)CC2)C1 ZINC001040730595 1316361990 /nfs/dbraw/zinc/36/19/90/1316361990.db2.gz XJCBTYNPTRJCFX-FAFZWHIHSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001072297273 1316373663 /nfs/dbraw/zinc/37/36/63/1316373663.db2.gz HXCCMOVDKMCISD-DOTOQJQBSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]2C)cc1 ZINC001072369535 1316378189 /nfs/dbraw/zinc/37/81/89/1316378189.db2.gz RLFQPMYVGKWXFM-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](Cc1ccsc1)CC2)N(C)C ZINC001040853625 1316389304 /nfs/dbraw/zinc/38/93/04/1316389304.db2.gz UCYOEAJCOZEPTB-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001072544123 1316398527 /nfs/dbraw/zinc/39/85/27/1316398527.db2.gz BNNXILHMDXDGMD-QAPCUYQASA-N 1 3 345.462 2.515 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001072544123 1316398529 /nfs/dbraw/zinc/39/85/29/1316398529.db2.gz BNNXILHMDXDGMD-QAPCUYQASA-N 1 3 345.462 2.515 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001072544121 1316398841 /nfs/dbraw/zinc/39/88/41/1316398841.db2.gz BNNXILHMDXDGMD-CRAIPNDOSA-N 1 3 345.462 2.515 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC001072544121 1316398843 /nfs/dbraw/zinc/39/88/43/1316398843.db2.gz BNNXILHMDXDGMD-CRAIPNDOSA-N 1 3 345.462 2.515 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2)N1CCCCC1 ZINC001072734544 1316410084 /nfs/dbraw/zinc/41/00/84/1316410084.db2.gz KOAKCJYMSTZMBI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2)N1CCCCC1 ZINC001072734544 1316410086 /nfs/dbraw/zinc/41/00/86/1316410086.db2.gz KOAKCJYMSTZMBI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H](C(C)C)N(C)C)C3)C2)cc1 ZINC001072955375 1316425338 /nfs/dbraw/zinc/42/53/38/1316425338.db2.gz HRRPDAICFICNHP-LJQANCHMSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H](C(C)C)N(C)C)C3)C2)cc1 ZINC001072955375 1316425342 /nfs/dbraw/zinc/42/53/42/1316425342.db2.gz HRRPDAICFICNHP-LJQANCHMSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(CF)cc1)C2)N(C)C ZINC001072991346 1316427560 /nfs/dbraw/zinc/42/75/60/1316427560.db2.gz SNYZGNGOXJUTIT-SFHVURJKSA-N 1 3 347.478 2.531 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(CF)cc1)C2)N(C)C ZINC001072991346 1316427563 /nfs/dbraw/zinc/42/75/63/1316427563.db2.gz SNYZGNGOXJUTIT-SFHVURJKSA-N 1 3 347.478 2.531 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001262482855 1316468961 /nfs/dbraw/zinc/46/89/61/1316468961.db2.gz OHBZTIJEYZAAJP-FCGDIQPGSA-N 1 3 327.472 2.580 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001262567222 1316472424 /nfs/dbraw/zinc/47/24/24/1316472424.db2.gz MBDAHNCAVMPNIY-INIZCTEOSA-N 1 3 346.519 2.791 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001262567222 1316472426 /nfs/dbraw/zinc/47/24/26/1316472426.db2.gz MBDAHNCAVMPNIY-INIZCTEOSA-N 1 3 346.519 2.791 20 0 EFADHO C[C@@H](CCNCCC(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)C ZINC001262565324 1316472537 /nfs/dbraw/zinc/47/25/37/1316472537.db2.gz IWHKNTWQXUVKHO-LBPRGKRZSA-N 1 3 331.382 2.964 20 0 EFADHO C[C@@H](CC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)N(C)C ZINC001262565324 1316472539 /nfs/dbraw/zinc/47/25/39/1316472539.db2.gz IWHKNTWQXUVKHO-LBPRGKRZSA-N 1 3 331.382 2.964 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC001073970510 1316484862 /nfs/dbraw/zinc/48/48/62/1316484862.db2.gz RIJNNYLLJHCMOC-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC001073970510 1316484865 /nfs/dbraw/zinc/48/48/65/1316484865.db2.gz RIJNNYLLJHCMOC-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1)N1CCCCC1 ZINC001041286389 1316503404 /nfs/dbraw/zinc/50/34/04/1316503404.db2.gz LEHQBDUJCCASMH-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@@H+](CCCF)C2)C1)N1CCCCC1 ZINC001041286389 1316503408 /nfs/dbraw/zinc/50/34/08/1316503408.db2.gz LEHQBDUJCCASMH-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074565109 1316525176 /nfs/dbraw/zinc/52/51/76/1316525176.db2.gz TZDDJCGDYNYZSE-YSSFQJQWSA-N 1 3 341.499 2.737 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357112 1316525939 /nfs/dbraw/zinc/52/59/39/1316525939.db2.gz DNOUUYAYUAPDSN-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001041357112 1316525942 /nfs/dbraw/zinc/52/59/42/1316525942.db2.gz DNOUUYAYUAPDSN-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CCC1 ZINC001041359165 1316527755 /nfs/dbraw/zinc/52/77/55/1316527755.db2.gz SUIISKHUUCVKGH-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CCC1 ZINC001041359165 1316527757 /nfs/dbraw/zinc/52/77/57/1316527757.db2.gz SUIISKHUUCVKGH-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CCC1 ZINC001041360417 1316527879 /nfs/dbraw/zinc/52/78/79/1316527879.db2.gz XSOKYWDDKTXMTE-OAQYLSRUSA-N 1 3 345.531 2.896 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CCC1 ZINC001041360417 1316527883 /nfs/dbraw/zinc/52/78/83/1316527883.db2.gz XSOKYWDDKTXMTE-OAQYLSRUSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360534 1316528206 /nfs/dbraw/zinc/52/82/06/1316528206.db2.gz YZGZAVTXWYDLEV-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360534 1316528208 /nfs/dbraw/zinc/52/82/08/1316528208.db2.gz YZGZAVTXWYDLEV-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378721 1316532300 /nfs/dbraw/zinc/53/23/00/1316532300.db2.gz LJNMVIOKCGDSCD-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001041378721 1316532302 /nfs/dbraw/zinc/53/23/02/1316532302.db2.gz LJNMVIOKCGDSCD-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041377701 1316532369 /nfs/dbraw/zinc/53/23/69/1316532369.db2.gz DOWKJWVGHKINOC-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041377701 1316532371 /nfs/dbraw/zinc/53/23/71/1316532371.db2.gz DOWKJWVGHKINOC-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001074877802 1316538917 /nfs/dbraw/zinc/53/89/17/1316538917.db2.gz MZNWLEWQIZRDHG-GJYPPUQNSA-N 1 3 347.478 2.719 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(CF)cc3)[C@@H]2C)C1 ZINC001074878464 1316539256 /nfs/dbraw/zinc/53/92/56/1316539256.db2.gz XREWYNBOBGLPSQ-GJYPPUQNSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)c(C)s1 ZINC001074878391 1316539264 /nfs/dbraw/zinc/53/92/64/1316539264.db2.gz ROABGLKOLZNEML-XUWXXGDYSA-N 1 3 349.544 2.928 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)cc1 ZINC001074878408 1316539590 /nfs/dbraw/zinc/53/95/90/1316539590.db2.gz SKSCITIBENVDBL-ZWOKBUDYSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041409380 1316543992 /nfs/dbraw/zinc/54/39/92/1316543992.db2.gz XTEUNLWYBQPQGQ-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1)N(C)C ZINC001041409380 1316543993 /nfs/dbraw/zinc/54/39/93/1316543993.db2.gz XTEUNLWYBQPQGQ-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1)[NH+]1CCCC1 ZINC001041536535 1316580601 /nfs/dbraw/zinc/58/06/01/1316580601.db2.gz PEMKHRNFSFGGSB-KRZKXXONSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001041672362 1316643535 /nfs/dbraw/zinc/64/35/35/1316643535.db2.gz BICMAZVKCKQMLC-WIYYLYMNSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001041672362 1316643538 /nfs/dbraw/zinc/64/35/38/1316643538.db2.gz BICMAZVKCKQMLC-WIYYLYMNSA-N 1 3 341.499 2.595 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(CCN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC001041673036 1316644089 /nfs/dbraw/zinc/64/40/89/1316644089.db2.gz SIMAOSMMYJRHTE-WIXQSORDSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(CCN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC001041673036 1316644092 /nfs/dbraw/zinc/64/40/92/1316644092.db2.gz SIMAOSMMYJRHTE-WIXQSORDSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001041675318 1316644678 /nfs/dbraw/zinc/64/46/78/1316644678.db2.gz OWAGAVOTSKXEBR-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001041675318 1316644680 /nfs/dbraw/zinc/64/46/80/1316644680.db2.gz OWAGAVOTSKXEBR-WIYYLYMNSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001041675316 1316644715 /nfs/dbraw/zinc/64/47/15/1316644715.db2.gz OWAGAVOTSKXEBR-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001041675316 1316644718 /nfs/dbraw/zinc/64/47/18/1316644718.db2.gz OWAGAVOTSKXEBR-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678154 1316646058 /nfs/dbraw/zinc/64/60/58/1316646058.db2.gz GRPAUYIBIWKSGH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCCCC4)C3)C2)C1 ZINC001041678154 1316646059 /nfs/dbraw/zinc/64/60/59/1316646059.db2.gz GRPAUYIBIWKSGH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678621 1316646436 /nfs/dbraw/zinc/64/64/36/1316646436.db2.gz JEKPPUKUJDCZCF-APWZRJJASA-N 1 3 347.528 2.514 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)C1 ZINC001041678621 1316646439 /nfs/dbraw/zinc/64/64/39/1316646439.db2.gz JEKPPUKUJDCZCF-APWZRJJASA-N 1 3 347.528 2.514 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680174 1316647035 /nfs/dbraw/zinc/64/70/35/1316647035.db2.gz PQUCSIQZFYUPSX-OALUTQOASA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680174 1316647037 /nfs/dbraw/zinc/64/70/37/1316647037.db2.gz PQUCSIQZFYUPSX-OALUTQOASA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041686993 1316648120 /nfs/dbraw/zinc/64/81/20/1316648120.db2.gz OTKMLHPXXGUULY-PXNSSMCTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)N(C)C ZINC001041686993 1316648123 /nfs/dbraw/zinc/64/81/23/1316648123.db2.gz OTKMLHPXXGUULY-PXNSSMCTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041686561 1316648263 /nfs/dbraw/zinc/64/82/63/1316648263.db2.gz MGTCYAKIZBHRKN-HKUYNNGSSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041686561 1316648264 /nfs/dbraw/zinc/64/82/64/1316648264.db2.gz MGTCYAKIZBHRKN-HKUYNNGSSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041689054 1316648844 /nfs/dbraw/zinc/64/88/44/1316648844.db2.gz ZXNYCOUHWXCQNR-FUHWJXTLSA-N 1 3 335.517 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001041689054 1316648845 /nfs/dbraw/zinc/64/88/45/1316648845.db2.gz ZXNYCOUHWXCQNR-FUHWJXTLSA-N 1 3 335.517 2.513 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001041712803 1316658061 /nfs/dbraw/zinc/65/80/61/1316658061.db2.gz WXPYHTGRNGYDQC-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001041712803 1316658064 /nfs/dbraw/zinc/65/80/64/1316658064.db2.gz WXPYHTGRNGYDQC-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001041723395 1316665873 /nfs/dbraw/zinc/66/58/73/1316665873.db2.gz HNDFGVXBNBEKMW-MJGOQNOKSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041723395 1316665877 /nfs/dbraw/zinc/66/58/77/1316665877.db2.gz HNDFGVXBNBEKMW-MJGOQNOKSA-N 1 3 339.499 2.533 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC001265021763 1316691881 /nfs/dbraw/zinc/69/18/81/1316691881.db2.gz ZOJRIIRSCFTZPV-VDNIUXDYSA-N 1 3 349.906 2.886 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC001265021763 1316691885 /nfs/dbraw/zinc/69/18/85/1316691885.db2.gz ZOJRIIRSCFTZPV-VDNIUXDYSA-N 1 3 349.906 2.886 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(Cl)c(F)c1)N(C)C ZINC001265060103 1316706060 /nfs/dbraw/zinc/70/60/60/1316706060.db2.gz WGOXMLRGYLSJON-MRXNPFEDSA-N 1 3 343.874 2.757 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(Cl)c(F)c1)N(C)C ZINC001265060103 1316706063 /nfs/dbraw/zinc/70/60/63/1316706063.db2.gz WGOXMLRGYLSJON-MRXNPFEDSA-N 1 3 343.874 2.757 20 0 EFADHO CC[C@@H](F)CN1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844796 1316730697 /nfs/dbraw/zinc/73/06/97/1316730697.db2.gz NPEDXDYGMHNMNN-MJGOQNOKSA-N 1 3 339.499 2.535 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844500 1316730964 /nfs/dbraw/zinc/73/09/64/1316730964.db2.gz JRGZKWIVSFTYKR-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844500 1316730965 /nfs/dbraw/zinc/73/09/65/1316730965.db2.gz JRGZKWIVSFTYKR-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844983 1316731425 /nfs/dbraw/zinc/73/14/25/1316731425.db2.gz QTUCBRVDMDWNQD-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001041844983 1316731427 /nfs/dbraw/zinc/73/14/27/1316731427.db2.gz QTUCBRVDMDWNQD-HXUWFJFHSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042136858 1316902849 /nfs/dbraw/zinc/90/28/49/1316902849.db2.gz XYASCORAVQGNSZ-MSOLQXFVSA-N 1 3 331.504 2.504 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@H+](CCCF)[C@@H]3C2)c1 ZINC001042366550 1317220226 /nfs/dbraw/zinc/22/02/26/1317220226.db2.gz WLNRQPKKOMGJQQ-IEBWSBKVSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](CCCF)[C@@H]3C2)c1 ZINC001042366550 1317220235 /nfs/dbraw/zinc/22/02/35/1317220235.db2.gz WLNRQPKKOMGJQQ-IEBWSBKVSA-N 1 3 347.478 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042367681 1317221669 /nfs/dbraw/zinc/22/16/69/1317221669.db2.gz KDZJZWIAURTDKA-LPHOPBHVSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042367681 1317221673 /nfs/dbraw/zinc/22/16/73/1317221673.db2.gz KDZJZWIAURTDKA-LPHOPBHVSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001042367685 1317222223 /nfs/dbraw/zinc/22/22/23/1317222223.db2.gz KFVLEROKFRLAPQ-LPHOPBHVSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001042367685 1317222234 /nfs/dbraw/zinc/22/22/34/1317222234.db2.gz KFVLEROKFRLAPQ-LPHOPBHVSA-N 1 3 347.478 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042367683 1317223041 /nfs/dbraw/zinc/22/30/41/1317223041.db2.gz KDZJZWIAURTDKA-VQIMIIECSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001042367683 1317223049 /nfs/dbraw/zinc/22/30/49/1317223049.db2.gz KDZJZWIAURTDKA-VQIMIIECSA-N 1 3 329.488 2.695 20 0 EFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2ccc4cc[nH]c4c2)CC3)cn1 ZINC001279278612 1317223560 /nfs/dbraw/zinc/22/35/60/1317223560.db2.gz DRXBFSBBGSWYOF-UHFFFAOYSA-N 1 3 349.482 2.962 20 0 EFADHO Cc1cccc(C[NH2+]CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001318875025 1328729085 /nfs/dbraw/zinc/72/90/85/1328729085.db2.gz OTTQPRSWWGSWKA-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H](C)CN3CCCC3)CC2)c1 ZINC001414065090 1328769731 /nfs/dbraw/zinc/76/97/31/1328769731.db2.gz ORMMDPMBRIFOIZ-GOSISDBHSA-N 1 3 343.515 2.921 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001403198153 1364426093 /nfs/dbraw/zinc/42/60/93/1364426093.db2.gz VTFPUVRIYGHDCH-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc(C)sc1C ZINC001403198153 1364426097 /nfs/dbraw/zinc/42/60/97/1364426097.db2.gz VTFPUVRIYGHDCH-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccsc1)N(C)C ZINC001319788757 1328989737 /nfs/dbraw/zinc/98/97/37/1328989737.db2.gz SFTKTHXWFCPJEY-IRXDYDNUSA-N 1 3 337.533 2.949 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(Cl)s1 ZINC001491683758 1323789134 /nfs/dbraw/zinc/78/91/34/1323789134.db2.gz TVCIEOZZOBULGM-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2CC)C1 ZINC001491849110 1323944494 /nfs/dbraw/zinc/94/44/94/1323944494.db2.gz DKLBNOBDTCQTCX-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CN(CCNC(=O)C12CCC[NH+]1CCC2)CCc1ccccc1Cl ZINC001492321700 1324420521 /nfs/dbraw/zinc/42/05/21/1324420521.db2.gz RMGSDNRKOVFVFR-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381260407 1348169973 /nfs/dbraw/zinc/16/99/73/1348169973.db2.gz ZYWUDKPFMWBHNZ-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381260407 1348169976 /nfs/dbraw/zinc/16/99/76/1348169976.db2.gz ZYWUDKPFMWBHNZ-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1)N(C)C ZINC001382158898 1348780107 /nfs/dbraw/zinc/78/01/07/1348780107.db2.gz KOTZZONHSDHEBO-SJLPKXTDSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)n1c2ccccc2nc1C[NH2+]C[C@@H](C)CN1CCN(C)CC1 ZINC001414077233 1330744306 /nfs/dbraw/zinc/74/43/06/1330744306.db2.gz BCGOPNLCXINSCW-QGZVFWFLSA-N 1 3 343.519 2.590 20 0 EFADHO CC(C)(C)OC(=O)NOCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001333822854 1331220022 /nfs/dbraw/zinc/22/00/22/1331220022.db2.gz BICJRUOVMFOJKS-UHFFFAOYSA-N 1 3 329.485 2.685 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC001334174178 1331260338 /nfs/dbraw/zinc/26/03/38/1331260338.db2.gz VCVJWYMTMFHYCY-YJBOKZPZSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC001334277810 1331277398 /nfs/dbraw/zinc/27/73/98/1331277398.db2.gz MXYWVWUYAHRDHQ-OAHLLOKOSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC001335395584 1331343228 /nfs/dbraw/zinc/34/32/28/1331343228.db2.gz WTIJADXRGKHYJI-RKVPGOIHSA-N 1 3 340.895 2.852 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001340111547 1332140704 /nfs/dbraw/zinc/14/07/04/1332140704.db2.gz DQJXEXNOIHIUEB-CRAIPNDOSA-N 1 3 332.492 2.531 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001340111547 1332140706 /nfs/dbraw/zinc/14/07/06/1332140706.db2.gz DQJXEXNOIHIUEB-CRAIPNDOSA-N 1 3 332.492 2.531 20 0 EFADHO CN(C)CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC001414089350 1332208513 /nfs/dbraw/zinc/20/85/13/1332208513.db2.gz SHSAICKBGXJUAC-MRXNPFEDSA-N 1 3 326.506 2.546 20 0 EFADHO C[C@@H]1C(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)[C@@H]1c1ccccc1 ZINC001345108460 1332509621 /nfs/dbraw/zinc/50/96/21/1332509621.db2.gz LDNJPVIGQRTRDG-JBDAPHQKSA-N 1 3 341.499 2.826 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001001912040 1333719048 /nfs/dbraw/zinc/71/90/48/1333719048.db2.gz SDABAHCOMQQVMF-AEFFLSMTSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002004649 1333904380 /nfs/dbraw/zinc/90/43/80/1333904380.db2.gz OYSIJDRGDHVHTI-GOSISDBHSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)N(C)C ZINC001353287409 1334066485 /nfs/dbraw/zinc/06/64/85/1334066485.db2.gz LWPXPQBGNAUUCZ-XHDPSFHLSA-N 1 3 347.272 2.726 20 0 EFADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001100442347 1334118965 /nfs/dbraw/zinc/11/89/65/1334118965.db2.gz CIGCENRGURMTOE-PUJMQQBBSA-N 1 3 337.895 2.665 20 0 EFADHO CC(C)(C(=O)NCC1CC(NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001100562415 1334293395 /nfs/dbraw/zinc/29/33/95/1334293395.db2.gz MDLSKTPHIXZKCP-UHFFFAOYSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1ccc(CNC2CC(CNC(=O)CC[NH+](C)C)C2)c(Cl)c1 ZINC001100637084 1334458833 /nfs/dbraw/zinc/45/88/33/1334458833.db2.gz AYIYAZHOZNQQLJ-UHFFFAOYSA-N 1 3 337.895 2.585 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001100647131 1334481612 /nfs/dbraw/zinc/48/16/12/1334481612.db2.gz FCHHNJISINZNOE-CTWPCTMYSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001100675988 1334549732 /nfs/dbraw/zinc/54/97/32/1334549732.db2.gz GGLGOOPUJBKKBD-MXWWQKGMSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCc2ccccc2)C1 ZINC001100676220 1334550307 /nfs/dbraw/zinc/55/03/07/1334550307.db2.gz KWFKMWIGVOKVRQ-KKXNLOMOSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCCCC(F)(F)F)C1 ZINC001100676208 1334550519 /nfs/dbraw/zinc/55/05/19/1334550519.db2.gz KBAGWKLAQSQIQY-WLYUNCDWSA-N 1 3 349.441 2.688 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001100676848 1334552360 /nfs/dbraw/zinc/55/23/60/1334552360.db2.gz TZUKMIYXOWAPPQ-UQPPLGOBSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100676919 1334552665 /nfs/dbraw/zinc/55/26/65/1334552665.db2.gz UXVFYGIIRSKIJI-IPJUCJBFSA-N 1 3 347.547 2.926 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001100678330 1334555843 /nfs/dbraw/zinc/55/58/43/1334555843.db2.gz HLNXEQZABWPKHD-IVMQYODDSA-N 1 3 347.547 2.783 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC001100678407 1334556170 /nfs/dbraw/zinc/55/61/70/1334556170.db2.gz JZNQVBLYUGEMBE-IPJUCJBFSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC001100678408 1334556284 /nfs/dbraw/zinc/55/62/84/1334556284.db2.gz JZNQVBLYUGEMBE-IVMQYODDSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001100678414 1334556342 /nfs/dbraw/zinc/55/63/42/1334556342.db2.gz KBUNUHXYWCJXJO-WLYUNCDWSA-N 1 3 349.441 2.545 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001100678502 1334556732 /nfs/dbraw/zinc/55/67/32/1334556732.db2.gz MYLQAFJFAOETQK-PPDQVPDSSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC001100678749 1334556802 /nfs/dbraw/zinc/55/68/02/1334556802.db2.gz VUBNDSVGQQTWOI-IVMQYODDSA-N 1 3 333.520 2.703 20 0 EFADHO CC(C)CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679876 1334559633 /nfs/dbraw/zinc/55/96/33/1334559633.db2.gz UDCVYLJLXNELGD-LADRWXRNSA-N 1 3 341.515 2.729 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001100680956 1334563018 /nfs/dbraw/zinc/56/30/18/1334563018.db2.gz NVKJDVPVUXVDQM-UHFFFAOYSA-N 1 3 345.531 2.957 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001100681915 1334564853 /nfs/dbraw/zinc/56/48/53/1334564853.db2.gz YCSVZAWYMBZYIL-UHFFFAOYSA-N 1 3 345.531 2.957 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001100683451 1334568669 /nfs/dbraw/zinc/56/86/69/1334568669.db2.gz BVSKQNOWVVDKFN-PPSBMQLTSA-N 1 3 331.504 2.574 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001100683459 1334568937 /nfs/dbraw/zinc/56/89/37/1334568937.db2.gz CIGCENRGURMTOE-PGEKIEPBSA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001100683446 1334568956 /nfs/dbraw/zinc/56/89/56/1334568956.db2.gz BPYFPIXXVBAIHI-MHJFOBGBSA-N 1 3 345.531 2.834 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001100683610 1334569384 /nfs/dbraw/zinc/56/93/84/1334569384.db2.gz KARSFEOONKHKDZ-RUXDESIVSA-N 1 3 337.430 2.544 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1 ZINC001100729328 1334685667 /nfs/dbraw/zinc/68/56/67/1334685667.db2.gz APYQHNXPEKKOTM-YMAMQOFZSA-N 1 3 349.441 2.686 20 0 EFADHO C[C@@H](C(=O)NCC1CC([NH2+]CC2CCCC2)C1)N1CCCCCC1 ZINC001100731638 1334690177 /nfs/dbraw/zinc/69/01/77/1334690177.db2.gz DDZRQIGHDDERHN-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO COc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](N2CCOCC2)CC1 ZINC000848794735 1334901659 /nfs/dbraw/zinc/90/16/59/1334901659.db2.gz UQAKQAGZSXBQBS-INIZCTEOSA-N 1 3 341.455 2.935 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](C4CCCC4)CC3=O)C[C@H]2C1 ZINC001356055082 1334942687 /nfs/dbraw/zinc/94/26/87/1334942687.db2.gz AIDLLJDVNBPNSE-AKHDSKFASA-N 1 3 333.520 2.645 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC001356055253 1334942932 /nfs/dbraw/zinc/94/29/32/1334942932.db2.gz AVDLYOMMQPLPHW-ZHALLVOQSA-N 1 3 342.487 2.548 20 0 EFADHO [NH2+]=C(NCCCOCC1CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849056426 1335061772 /nfs/dbraw/zinc/06/17/72/1335061772.db2.gz LIYSUVRZSUOXLV-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccc(Cl)cc1 ZINC000849087632 1335072643 /nfs/dbraw/zinc/07/26/43/1335072643.db2.gz GLAZONIJHXRZLQ-JKSUJKDBSA-N 1 3 338.883 2.626 20 0 EFADHO CCC(O)(CC)CCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849090255 1335074110 /nfs/dbraw/zinc/07/41/10/1335074110.db2.gz YLMGBDPQZHBRTJ-UHFFFAOYSA-N 1 3 346.519 2.706 20 0 EFADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000849096766 1335075863 /nfs/dbraw/zinc/07/58/63/1335075863.db2.gz RXUFOMAZZLUYGG-LLVKDONJSA-N 1 3 330.354 2.863 20 0 EFADHO CCc1cc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)on1 ZINC000849102118 1335552299 /nfs/dbraw/zinc/55/22/99/1335552299.db2.gz XITKDXWQSNCUEJ-UHFFFAOYSA-N 1 3 341.459 2.516 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCN1C(C)C)[NH+](C)C ZINC001361413946 1336062611 /nfs/dbraw/zinc/06/26/11/1336062611.db2.gz CIENPQXYNZPFTJ-QRQLOZEOSA-N 1 3 331.504 2.975 20 0 EFADHO CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001361502470 1336128895 /nfs/dbraw/zinc/12/88/95/1336128895.db2.gz ZYVUHUXSTXVMEK-GOSISDBHSA-N 1 3 331.504 2.888 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC001361604532 1336215068 /nfs/dbraw/zinc/21/50/68/1336215068.db2.gz OVHBNJJZCGVNOO-SFHVURJKSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001361646897 1336243400 /nfs/dbraw/zinc/24/34/00/1336243400.db2.gz HAGGSSJJKJPYGX-HNNXBMFYSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001361646897 1336243404 /nfs/dbraw/zinc/24/34/04/1336243404.db2.gz HAGGSSJJKJPYGX-HNNXBMFYSA-N 1 3 340.471 2.809 20 0 EFADHO CC[C@H](CC(F)(F)F)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC001361702622 1336282712 /nfs/dbraw/zinc/28/27/12/1336282712.db2.gz PXLMPMPUMXWWIQ-CYBMUJFWSA-N 1 3 349.441 2.640 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCCN2C)cc1 ZINC001361804111 1336345835 /nfs/dbraw/zinc/34/58/35/1336345835.db2.gz BGLSKCPVODXONI-GOSISDBHSA-N 1 3 347.503 2.621 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCCN2C)cc1 ZINC001361804337 1336345906 /nfs/dbraw/zinc/34/59/06/1336345906.db2.gz BGLSKCPVODXONI-SFHVURJKSA-N 1 3 347.503 2.621 20 0 EFADHO C[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)N(C)Cc1ccccc1 ZINC001361869934 1336387247 /nfs/dbraw/zinc/38/72/47/1336387247.db2.gz IMVVMJVMRKOZGV-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001362064288 1336486515 /nfs/dbraw/zinc/48/65/15/1336486515.db2.gz JQBRFJUIALKPPY-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001362064288 1336486516 /nfs/dbraw/zinc/48/65/16/1336486516.db2.gz JQBRFJUIALKPPY-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001362121271 1336512818 /nfs/dbraw/zinc/51/28/18/1336512818.db2.gz QUIXOHAOFSHYEV-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183419 1336542916 /nfs/dbraw/zinc/54/29/16/1336542916.db2.gz FVKDSXODLINEJH-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001362183419 1336542920 /nfs/dbraw/zinc/54/29/20/1336542920.db2.gz FVKDSXODLINEJH-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO CC1CCC(N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CC1 ZINC001362203932 1336552451 /nfs/dbraw/zinc/55/24/51/1336552451.db2.gz VYEXYVCRHFTEHM-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001362522479 1336644884 /nfs/dbraw/zinc/64/48/84/1336644884.db2.gz SDRBYELJBHTYKC-UHOSZYNNSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC001362522479 1336644886 /nfs/dbraw/zinc/64/48/86/1336644886.db2.gz SDRBYELJBHTYKC-UHOSZYNNSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632691 1336683376 /nfs/dbraw/zinc/68/33/76/1336683376.db2.gz XBEVFHYBCUVCMO-PZJWPPBQSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632691 1336683378 /nfs/dbraw/zinc/68/33/78/1336683378.db2.gz XBEVFHYBCUVCMO-PZJWPPBQSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N(C)C)cc1 ZINC001362797752 1336746063 /nfs/dbraw/zinc/74/60/63/1336746063.db2.gz FUVRSAFLOXWWHR-LJQANCHMSA-N 1 3 345.531 2.946 20 0 EFADHO CCCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC001363364169 1336894367 /nfs/dbraw/zinc/89/43/67/1336894367.db2.gz ONQMWEFNDHRTBB-UXHICEINSA-N 1 3 332.488 2.943 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001363365236 1336894935 /nfs/dbraw/zinc/89/49/35/1336894935.db2.gz WTIMRVOTXJEQJU-IRXDYDNUSA-N 1 3 326.843 2.947 20 0 EFADHO CN1CCC2(CCC[N@@H+]2Cc2cc3ccccc3n(C)c2=O)CC1 ZINC001363582751 1336940049 /nfs/dbraw/zinc/94/00/49/1336940049.db2.gz QGPCCNXKAIVBDB-UHFFFAOYSA-N 1 3 325.456 2.599 20 0 EFADHO CN1CCC2(CCC[N@H+]2Cc2cc3ccccc3n(C)c2=O)CC1 ZINC001363582751 1336940050 /nfs/dbraw/zinc/94/00/50/1336940050.db2.gz QGPCCNXKAIVBDB-UHFFFAOYSA-N 1 3 325.456 2.599 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3CCN(C(C)C)C3)CC2)c1 ZINC001363610383 1336953542 /nfs/dbraw/zinc/95/35/42/1336953542.db2.gz PUIKJCBFKFOPKE-SFHVURJKSA-N 1 3 343.515 2.920 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001440393125 1389589066 /nfs/dbraw/zinc/58/90/66/1389589066.db2.gz BAKLNNNVSZCKDL-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC001440393125 1389589072 /nfs/dbraw/zinc/58/90/72/1389589072.db2.gz BAKLNNNVSZCKDL-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO CCN(CCCN1CCN(c2cc[nH+]cc2)C[C@@H]1C)CC(F)(F)F ZINC001363838174 1337073982 /nfs/dbraw/zinc/07/39/82/1337073982.db2.gz SARJMKMKBFPNNQ-HNNXBMFYSA-N 1 3 344.425 2.866 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@H]3CCCCN(C)C3)CC2)c1 ZINC001363872734 1337093750 /nfs/dbraw/zinc/09/37/50/1337093750.db2.gz DXCLWMLUYVQJEJ-GOSISDBHSA-N 1 3 343.515 2.921 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC001363873928 1337094583 /nfs/dbraw/zinc/09/45/83/1337094583.db2.gz SUAMPXGPZBRPTO-HNNXBMFYSA-N 1 3 339.911 2.712 20 0 EFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001363876870 1337095978 /nfs/dbraw/zinc/09/59/78/1337095978.db2.gz YDETVSYAQPNINQ-FQEVSTJZSA-N 1 3 339.483 2.609 20 0 EFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001363876870 1337095981 /nfs/dbraw/zinc/09/59/81/1337095981.db2.gz YDETVSYAQPNINQ-FQEVSTJZSA-N 1 3 339.483 2.609 20 0 EFADHO COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CN3CCC2CC3)cc1 ZINC001363945586 1337124572 /nfs/dbraw/zinc/12/45/72/1337124572.db2.gz SDKFZTRNKJVBQS-QFBILLFUSA-N 1 3 332.488 2.574 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC001364053926 1337164239 /nfs/dbraw/zinc/16/42/39/1337164239.db2.gz NPHNXJSVKVLPPM-LJQANCHMSA-N 1 3 349.519 2.781 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC001364470561 1337187968 /nfs/dbraw/zinc/18/79/68/1337187968.db2.gz TYLOABBJKFBKJX-LEWJYISDSA-N 1 3 347.547 2.530 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC001364470561 1337187970 /nfs/dbraw/zinc/18/79/70/1337187970.db2.gz TYLOABBJKFBKJX-LEWJYISDSA-N 1 3 347.547 2.530 20 0 EFADHO CCC(=O)N1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001364567051 1337192542 /nfs/dbraw/zinc/19/25/42/1337192542.db2.gz LWISQOIUSJECJY-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC001365542722 1337230726 /nfs/dbraw/zinc/23/07/26/1337230726.db2.gz YVZYDFIUWPGASL-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC001365542722 1337230728 /nfs/dbraw/zinc/23/07/28/1337230728.db2.gz YVZYDFIUWPGASL-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC001365542839 1337230737 /nfs/dbraw/zinc/23/07/37/1337230737.db2.gz CLHQBADKNLGDFW-IRXDYDNUSA-N 1 3 348.491 2.542 20 0 EFADHO CC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC001365542839 1337230738 /nfs/dbraw/zinc/23/07/38/1337230738.db2.gz CLHQBADKNLGDFW-IRXDYDNUSA-N 1 3 348.491 2.542 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001366002411 1337314376 /nfs/dbraw/zinc/31/43/76/1337314376.db2.gz HYRBORWBYMMGEP-LJQANCHMSA-N 1 3 347.478 2.723 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001366007411 1337317798 /nfs/dbraw/zinc/31/77/98/1337317798.db2.gz XFIGXGKIIWSGQP-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2)N(C)C ZINC001366016047 1337325621 /nfs/dbraw/zinc/32/56/21/1337325621.db2.gz JXTUTBDOHHBFIL-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001366029655 1337334894 /nfs/dbraw/zinc/33/48/94/1337334894.db2.gz BBEGSHCEPJNSDX-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001366036722 1337338768 /nfs/dbraw/zinc/33/87/68/1337338768.db2.gz WVMSSSPFWDWUKC-PMACEKPBSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001366116272 1337385971 /nfs/dbraw/zinc/38/59/71/1337385971.db2.gz HDGLVIYFIAJIMY-BRSBDYLESA-N 1 3 335.467 2.854 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)s1 ZINC001366119157 1337387183 /nfs/dbraw/zinc/38/71/83/1337387183.db2.gz UHUVCXCFYOIMDI-ULQDDVLXSA-N 1 3 337.533 2.688 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001366124957 1337389648 /nfs/dbraw/zinc/38/96/48/1337389648.db2.gz HAWOMXGDTUKCJM-LNLFQRSKSA-N 1 3 347.503 2.551 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001366127119 1337390893 /nfs/dbraw/zinc/39/08/93/1337390893.db2.gz ZXFLBXKINMVLBY-BRWVUGGUSA-N 1 3 337.895 2.663 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)C1)N(C)C ZINC001366134896 1337395610 /nfs/dbraw/zinc/39/56/10/1337395610.db2.gz MPCDDTUHHUGLQA-MJFSBKNWSA-N 1 3 339.430 2.603 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366178330 1337419309 /nfs/dbraw/zinc/41/93/09/1337419309.db2.gz IYAMEJYQEFHYFJ-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001366178330 1337419313 /nfs/dbraw/zinc/41/93/13/1337419313.db2.gz IYAMEJYQEFHYFJ-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001366227332 1337460325 /nfs/dbraw/zinc/46/03/25/1337460325.db2.gz DHCQGVRVLBWPRX-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001366227332 1337460326 /nfs/dbraw/zinc/46/03/26/1337460326.db2.gz DHCQGVRVLBWPRX-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001366227334 1337460716 /nfs/dbraw/zinc/46/07/16/1337460716.db2.gz DHCQGVRVLBWPRX-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001366227334 1337460717 /nfs/dbraw/zinc/46/07/17/1337460717.db2.gz DHCQGVRVLBWPRX-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001366288149 1337493323 /nfs/dbraw/zinc/49/33/23/1337493323.db2.gz OLCBBEWSOQDIFM-QWHCGFSZSA-N 1 3 339.430 2.604 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001366288150 1337493371 /nfs/dbraw/zinc/49/33/71/1337493371.db2.gz OLCBBEWSOQDIFM-STQMWFEESA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001366357236 1337532707 /nfs/dbraw/zinc/53/27/07/1337532707.db2.gz XAGXESLUHYFPOU-YJBOKZPZSA-N 1 3 333.520 2.919 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001366377653 1337548058 /nfs/dbraw/zinc/54/80/58/1337548058.db2.gz NROMFTGSBHCOOA-FCBDPGHLSA-N 1 3 347.890 2.638 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001366435585 1337584658 /nfs/dbraw/zinc/58/46/58/1337584658.db2.gz PUMQCSOQSQSXKA-ZWKOTPCHSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001366439507 1337588740 /nfs/dbraw/zinc/58/87/40/1337588740.db2.gz TWMGVKASPHIDJE-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001366466997 1337610219 /nfs/dbraw/zinc/61/02/19/1337610219.db2.gz BRVLWANWVOBXHC-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccns1 ZINC001366515912 1337656077 /nfs/dbraw/zinc/65/60/77/1337656077.db2.gz ZZLAQHCYLOROJE-AWEZNQCLSA-N 1 3 346.500 2.503 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2cc(C)ccc2C)C1 ZINC001366554246 1337689231 /nfs/dbraw/zinc/68/92/31/1337689231.db2.gz BKKHIQVNGJWSCR-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2cc(C)ccc2C)C1 ZINC001366554246 1337689234 /nfs/dbraw/zinc/68/92/34/1337689234.db2.gz BKKHIQVNGJWSCR-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001366570212 1337706637 /nfs/dbraw/zinc/70/66/37/1337706637.db2.gz KIBSQXQVAJUIHN-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc2c(c1)CCC2 ZINC001366617695 1337757252 /nfs/dbraw/zinc/75/72/52/1337757252.db2.gz YUKRSKPUAZDUJR-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc2c(c1)CCC2 ZINC001366617695 1337757255 /nfs/dbraw/zinc/75/72/55/1337757255.db2.gz YUKRSKPUAZDUJR-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001366630001 1337772318 /nfs/dbraw/zinc/77/23/18/1337772318.db2.gz SIWWVDYHLFIIQM-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001366630001 1337772321 /nfs/dbraw/zinc/77/23/21/1337772321.db2.gz SIWWVDYHLFIIQM-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001366630015 1337772879 /nfs/dbraw/zinc/77/28/79/1337772879.db2.gz SIWWVDYHLFIIQM-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001366630015 1337772881 /nfs/dbraw/zinc/77/28/81/1337772881.db2.gz SIWWVDYHLFIIQM-PKOBYXMFSA-N 1 3 331.504 2.918 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366702359 1337890960 /nfs/dbraw/zinc/89/09/60/1337890960.db2.gz DJLCBESPBJJNFU-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001366702359 1337890966 /nfs/dbraw/zinc/89/09/66/1337890966.db2.gz DJLCBESPBJJNFU-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366702953 1337892949 /nfs/dbraw/zinc/89/29/49/1337892949.db2.gz FLBXLBKQGQJTGB-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366702953 1337892955 /nfs/dbraw/zinc/89/29/55/1337892955.db2.gz FLBXLBKQGQJTGB-UXHICEINSA-N 1 3 345.531 2.773 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001366703627 1337894606 /nfs/dbraw/zinc/89/46/06/1337894606.db2.gz GIVKRQGDAKHYOO-ICSRJNTNSA-N 1 3 345.531 2.890 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001366703627 1337894613 /nfs/dbraw/zinc/89/46/13/1337894613.db2.gz GIVKRQGDAKHYOO-ICSRJNTNSA-N 1 3 345.531 2.890 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001366705284 1337898482 /nfs/dbraw/zinc/89/84/82/1337898482.db2.gz UKNYMKDBULVBHT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001366705284 1337898489 /nfs/dbraw/zinc/89/84/89/1337898489.db2.gz UKNYMKDBULVBHT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366746443 1337958689 /nfs/dbraw/zinc/95/86/89/1337958689.db2.gz UDEMDDMEGQOMEJ-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001366746443 1337958691 /nfs/dbraw/zinc/95/86/91/1337958691.db2.gz UDEMDDMEGQOMEJ-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(CN(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)c(C)c1 ZINC001366749957 1337963171 /nfs/dbraw/zinc/96/31/71/1337963171.db2.gz FBNJYVUEWBOKQG-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+]([C@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001366750688 1337964350 /nfs/dbraw/zinc/96/43/50/1337964350.db2.gz FUHVFLFLFAYQCL-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+]([C@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001366750688 1337964356 /nfs/dbraw/zinc/96/43/56/1337964356.db2.gz FUHVFLFLFAYQCL-APWZRJJASA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1)N(C)C ZINC001366750781 1337965895 /nfs/dbraw/zinc/96/58/95/1337965895.db2.gz IEEKFYFELSSSBO-QFBILLFUSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1)N(C)C ZINC001366750781 1337965898 /nfs/dbraw/zinc/96/58/98/1337965898.db2.gz IEEKFYFELSSSBO-QFBILLFUSA-N 1 3 331.504 2.914 20 0 EFADHO CN(CC[NH2+]C1c2ccccc2-c2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001366758840 1337978309 /nfs/dbraw/zinc/97/83/09/1337978309.db2.gz FVIDVSRONOBUNG-FQEVSTJZSA-N 1 3 349.478 2.899 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C\Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366789735 1338007953 /nfs/dbraw/zinc/00/79/53/1338007953.db2.gz GZRQPGNIWOWCDN-UOWDCBNXSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2F)C1)N(C)C ZINC001366832507 1338086822 /nfs/dbraw/zinc/08/68/22/1338086822.db2.gz WJHOFEBVVDWAFV-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)N(C)C ZINC001366832507 1338086827 /nfs/dbraw/zinc/08/68/27/1338086827.db2.gz WJHOFEBVVDWAFV-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001366865502 1338134589 /nfs/dbraw/zinc/13/45/89/1338134589.db2.gz LXCNOXZBWPIQGC-AUVQFFENSA-N 1 3 341.499 2.574 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001366865502 1338134595 /nfs/dbraw/zinc/13/45/95/1338134595.db2.gz LXCNOXZBWPIQGC-AUVQFFENSA-N 1 3 341.499 2.574 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001366882054 1338160013 /nfs/dbraw/zinc/16/00/13/1338160013.db2.gz QZSRAXKVASPTIQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1)C1CCC1 ZINC001366882054 1338160017 /nfs/dbraw/zinc/16/00/17/1338160017.db2.gz QZSRAXKVASPTIQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001366882246 1338160255 /nfs/dbraw/zinc/16/02/55/1338160255.db2.gz RWJLRXWOIKVAJX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001366882246 1338160263 /nfs/dbraw/zinc/16/02/63/1338160263.db2.gz RWJLRXWOIKVAJX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001366898713 1338183571 /nfs/dbraw/zinc/18/35/71/1338183571.db2.gz TZRMWYNOSRAALQ-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001366898713 1338183574 /nfs/dbraw/zinc/18/35/74/1338183574.db2.gz TZRMWYNOSRAALQ-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)c1ccccc1C[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001366969426 1338229836 /nfs/dbraw/zinc/22/98/36/1338229836.db2.gz IKRCHABOYPCYKZ-UHFFFAOYSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001366975374 1338233833 /nfs/dbraw/zinc/23/38/33/1338233833.db2.gz AJOZVYCAZCLXIG-PKOBYXMFSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc(C)c1CN1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001366987531 1338245251 /nfs/dbraw/zinc/24/52/51/1338245251.db2.gz GYEJGTFPCVUFDC-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001366989109 1338247285 /nfs/dbraw/zinc/24/72/85/1338247285.db2.gz WUBPFLBTJXMZMV-QFBILLFUSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001366991523 1338248612 /nfs/dbraw/zinc/24/86/12/1338248612.db2.gz YEIALDSHNDKFQY-GOSISDBHSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001366991529 1338249168 /nfs/dbraw/zinc/24/91/68/1338249168.db2.gz YEIALDSHNDKFQY-SFHVURJKSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1ccc(CCC[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001367017558 1338274321 /nfs/dbraw/zinc/27/43/21/1338274321.db2.gz VKLCNUVSRYJRBR-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CCC[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001367017558 1338274326 /nfs/dbraw/zinc/27/43/26/1338274326.db2.gz VKLCNUVSRYJRBR-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO CN(CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(F)cc1)C1CC1)C1CCC1 ZINC001367172482 1338472682 /nfs/dbraw/zinc/47/26/82/1338472682.db2.gz SBZMHPGXDWORQS-FQEVSTJZSA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(F)c3)CC2)CCC1 ZINC001367183790 1338486137 /nfs/dbraw/zinc/48/61/37/1338486137.db2.gz HJHAFQWLHXFHSH-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO O=C(NCCC1CCN(C/C=C/Cl)CC1)C12CCC[NH+]1CCC2 ZINC001367210059 1338518924 /nfs/dbraw/zinc/51/89/24/1338518924.db2.gz RCENFQMDBSFRSX-YCRREMRBSA-N 1 3 339.911 2.586 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C ZINC001367225598 1338533638 /nfs/dbraw/zinc/53/36/38/1338533638.db2.gz PMTGLVILKJCMEJ-QZTJIDSGSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001367245705 1338548525 /nfs/dbraw/zinc/54/85/25/1338548525.db2.gz RTHFLBIVOGPVQW-INIZCTEOSA-N 1 3 331.504 2.630 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1csc(C)c1 ZINC001367260970 1338560251 /nfs/dbraw/zinc/56/02/51/1338560251.db2.gz NBTZPPOZUCGXRA-RHSMWYFYSA-N 1 3 337.533 2.773 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1csc(C)c1 ZINC001367260980 1338560669 /nfs/dbraw/zinc/56/06/69/1338560669.db2.gz NBTZPPOZUCGXRA-YOEHRIQHSA-N 1 3 337.533 2.773 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367275235 1338575446 /nfs/dbraw/zinc/57/54/46/1338575446.db2.gz JUQCDAZPRRFOBO-MJGOQNOKSA-N 1 3 331.504 2.791 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367278951 1338578946 /nfs/dbraw/zinc/57/89/46/1338578946.db2.gz UWQNDLJNACNLEA-QFBILLFUSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001367382594 1338678911 /nfs/dbraw/zinc/67/89/11/1338678911.db2.gz JUIIUPMOZMFPSR-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367385017 1338680797 /nfs/dbraw/zinc/68/07/97/1338680797.db2.gz RSHGESSAOQEPRL-AAEUAGOBSA-N 1 3 331.913 2.678 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001367397920 1338694910 /nfs/dbraw/zinc/69/49/10/1338694910.db2.gz HZMONDHYCGKLID-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CCCCC1 ZINC001367438744 1338741248 /nfs/dbraw/zinc/74/12/48/1338741248.db2.gz MFTCDOWEDJYYCH-ZWKOTPCHSA-N 1 3 325.541 2.883 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@@H](C)C1 ZINC001367442804 1338745462 /nfs/dbraw/zinc/74/54/62/1338745462.db2.gz LEQRTASYDBWGAO-QFBILLFUSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001367475642 1338774999 /nfs/dbraw/zinc/77/49/99/1338774999.db2.gz UYJCOMMIDHIMHG-FUHWJXTLSA-N 1 3 331.504 2.962 20 0 EFADHO CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001367478244 1338777663 /nfs/dbraw/zinc/77/76/63/1338777663.db2.gz HQBLYXDNNYRUQO-KXBFYZLASA-N 1 3 349.494 2.959 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)cc1 ZINC001367496329 1338795540 /nfs/dbraw/zinc/79/55/40/1338795540.db2.gz VMPIETPAUGRHLA-RBUKOAKNSA-N 1 3 333.520 2.812 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367519634 1338819348 /nfs/dbraw/zinc/81/93/48/1338819348.db2.gz ZIXXRTXLQUFVOS-QZTJIDSGSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367519634 1338819351 /nfs/dbraw/zinc/81/93/51/1338819351.db2.gz ZIXXRTXLQUFVOS-QZTJIDSGSA-N 1 3 331.504 2.534 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367554386 1338865081 /nfs/dbraw/zinc/86/50/81/1338865081.db2.gz SJIAHMCXVCKESI-AEFFLSMTSA-N 1 3 335.467 2.619 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367554386 1338865085 /nfs/dbraw/zinc/86/50/85/1338865085.db2.gz SJIAHMCXVCKESI-AEFFLSMTSA-N 1 3 335.467 2.619 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001367559655 1338871500 /nfs/dbraw/zinc/87/15/00/1338871500.db2.gz GHVIFWQYSLXSSX-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC001367560533 1338872506 /nfs/dbraw/zinc/87/25/06/1338872506.db2.gz JHVLFQONKYQGGX-APWZRJJASA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001367647692 1338902434 /nfs/dbraw/zinc/90/24/34/1338902434.db2.gz MLCOEFGAYOKLEI-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001367677456 1338922246 /nfs/dbraw/zinc/92/22/46/1338922246.db2.gz RJEJHESMYGGSKB-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367691118 1338931967 /nfs/dbraw/zinc/93/19/67/1338931967.db2.gz KIVIISZJRMYKAU-KGLIPLIRSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001367707543 1338945722 /nfs/dbraw/zinc/94/57/22/1338945722.db2.gz HZZSLKROTIGKMW-APWZRJJASA-N 1 3 333.520 2.991 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)CCC[NH+]1CCCCC1 ZINC001367716572 1338954768 /nfs/dbraw/zinc/95/47/68/1338954768.db2.gz QZLWJYAFYNEDPK-MRXNPFEDSA-N 1 3 335.467 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001367739094 1338969057 /nfs/dbraw/zinc/96/90/57/1338969057.db2.gz SHMUDEWBIQGEIO-DCGLDWPTSA-N 1 3 341.446 2.706 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001367739080 1338969172 /nfs/dbraw/zinc/96/91/72/1338969172.db2.gz HMLMVCUFHKBVHQ-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001367739660 1338970034 /nfs/dbraw/zinc/97/00/34/1338970034.db2.gz KDJLQUBBAKDRNB-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001367740882 1338970552 /nfs/dbraw/zinc/97/05/52/1338970552.db2.gz SMDWISOTRCAURB-WMLDXEAASA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367804244 1339023945 /nfs/dbraw/zinc/02/39/45/1339023945.db2.gz JDXZWPHTUNCJDG-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367804244 1339023949 /nfs/dbraw/zinc/02/39/49/1339023949.db2.gz JDXZWPHTUNCJDG-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001367805209 1339024479 /nfs/dbraw/zinc/02/44/79/1339024479.db2.gz LFGGIKYMIADGEN-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001367805209 1339024481 /nfs/dbraw/zinc/02/44/81/1339024481.db2.gz LFGGIKYMIADGEN-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367809906 1339028508 /nfs/dbraw/zinc/02/85/08/1339028508.db2.gz YQDFVXYTVDDRQA-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001367809906 1339028511 /nfs/dbraw/zinc/02/85/11/1339028511.db2.gz YQDFVXYTVDDRQA-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CN(C)C/C=C\c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367825318 1339040553 /nfs/dbraw/zinc/04/05/53/1339040553.db2.gz UGQBPNNFWFEDHF-HJLMUGLJSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1CC[NH+](C)CC1 ZINC001367831505 1339047009 /nfs/dbraw/zinc/04/70/09/1339047009.db2.gz IIROEWGQLFCFJL-AUUYWEPGSA-N 1 3 347.478 2.591 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001367855856 1339071675 /nfs/dbraw/zinc/07/16/75/1339071675.db2.gz XETJNNDKLDRJBI-PKOBYXMFSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1 ZINC001367858952 1339073542 /nfs/dbraw/zinc/07/35/42/1339073542.db2.gz GPBTUNOQUPGWJC-GOSISDBHSA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1Cl)C1CC1)N(C)C ZINC001367895591 1339092866 /nfs/dbraw/zinc/09/28/66/1339092866.db2.gz AMNNNSAAEIDFFY-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1 ZINC001367904311 1339097234 /nfs/dbraw/zinc/09/72/34/1339097234.db2.gz SRPBXDQNCGTZBG-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H](NC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001367912591 1339103228 /nfs/dbraw/zinc/10/32/28/1339103228.db2.gz NXWPMJSUUFDVNH-AUUYWEPGSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986743 1339145510 /nfs/dbraw/zinc/14/55/10/1339145510.db2.gz SXJKDGDTWQOAGK-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCC(C)(C)CC1)N(C)C ZINC001367986743 1339145511 /nfs/dbraw/zinc/14/55/11/1339145511.db2.gz SXJKDGDTWQOAGK-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2sccc2Cl)CC1 ZINC001368010245 1339155838 /nfs/dbraw/zinc/15/58/38/1339155838.db2.gz BJLJQAPUCIEVCY-CYBMUJFWSA-N 1 3 341.908 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC001368058340 1339181889 /nfs/dbraw/zinc/18/18/89/1339181889.db2.gz IYRRVAOXECQDNW-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(C)c3)C2)C1 ZINC001368058340 1339181891 /nfs/dbraw/zinc/18/18/91/1339181891.db2.gz IYRRVAOXECQDNW-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001368106116 1339196667 /nfs/dbraw/zinc/19/66/67/1339196667.db2.gz MELWNXBGTLUJNP-DOTOQJQBSA-N 1 3 335.467 2.637 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001368117086 1339201495 /nfs/dbraw/zinc/20/14/95/1339201495.db2.gz CAHFBJOORYCLJQ-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCC1)N(C)C ZINC001368141181 1339214916 /nfs/dbraw/zinc/21/49/16/1339214916.db2.gz BUIKOKUYUQEFOQ-MOPGFXCFSA-N 1 3 331.504 2.791 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368193088 1339247275 /nfs/dbraw/zinc/24/72/75/1339247275.db2.gz DZRBPBUATDTWLZ-CTNGQTDRSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H](C(=O)NCC1(C)CC[NH+](CCCF)CC1)N1CCCCCC1 ZINC001368207890 1339256261 /nfs/dbraw/zinc/25/62/61/1339256261.db2.gz ARISQYFKCIOHEX-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@](C)(C[NH2+]CC3CCC3)C2)c1 ZINC001368209819 1339257777 /nfs/dbraw/zinc/25/77/77/1339257777.db2.gz XQGVJGFJQOJPFL-OAQYLSRUSA-N 1 3 343.515 2.990 20 0 EFADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2cccc(F)c2)CC1)N(C)C ZINC001368213380 1339260037 /nfs/dbraw/zinc/26/00/37/1339260037.db2.gz ONMZDBXNHRJOTL-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1)N(C)C ZINC001368474676 1339410893 /nfs/dbraw/zinc/41/08/93/1339410893.db2.gz QWDQNKALSHEIEZ-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001368479281 1339415781 /nfs/dbraw/zinc/41/57/81/1339415781.db2.gz DOFYFNZONXRAOQ-KDURUIRLSA-N 1 3 343.515 2.506 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)N(C)C ZINC001368485177 1339422040 /nfs/dbraw/zinc/42/20/40/1339422040.db2.gz IOQDBOIWDVQLII-KRWDZBQOSA-N 1 3 335.467 2.625 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001368499486 1339437321 /nfs/dbraw/zinc/43/73/21/1339437321.db2.gz CMIQJFIQBONQCJ-LZQZEXGQSA-N 1 3 343.515 2.630 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001368509406 1339444236 /nfs/dbraw/zinc/44/42/36/1339444236.db2.gz CUUJBBOIIFWBLG-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001368509406 1339444238 /nfs/dbraw/zinc/44/42/38/1339444238.db2.gz CUUJBBOIIFWBLG-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001368514053 1339448489 /nfs/dbraw/zinc/44/84/89/1339448489.db2.gz NSOWTDFEJBKTNQ-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001368514053 1339448493 /nfs/dbraw/zinc/44/84/93/1339448493.db2.gz NSOWTDFEJBKTNQ-OALUTQOASA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)CC1)N(C)C ZINC001368514116 1339448820 /nfs/dbraw/zinc/44/88/20/1339448820.db2.gz OARSSRZXWVPEJI-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)CC1)N(C)C ZINC001368514116 1339448823 /nfs/dbraw/zinc/44/88/23/1339448823.db2.gz OARSSRZXWVPEJI-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559656 1339503183 /nfs/dbraw/zinc/50/31/83/1339503183.db2.gz LOPMNVFKWCJHON-IAGOWNOFSA-N 1 3 334.508 2.949 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)C1 ZINC001368559656 1339503184 /nfs/dbraw/zinc/50/31/84/1339503184.db2.gz LOPMNVFKWCJHON-IAGOWNOFSA-N 1 3 334.508 2.949 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(F)c1 ZINC001368590891 1339537071 /nfs/dbraw/zinc/53/70/71/1339537071.db2.gz OCNOPOITAQVLNC-YYAJDYIMSA-N 1 3 347.478 2.713 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001368662051 1339573809 /nfs/dbraw/zinc/57/38/09/1339573809.db2.gz AOMSBNRZQMHDDJ-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001368710476 1339630022 /nfs/dbraw/zinc/63/00/22/1339630022.db2.gz SCOGZFLUPHGRJQ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001368710476 1339630033 /nfs/dbraw/zinc/63/00/33/1339630033.db2.gz SCOGZFLUPHGRJQ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001368725060 1339644253 /nfs/dbraw/zinc/64/42/53/1339644253.db2.gz BWBDIIQIWRDKMP-YOEHRIQHSA-N 1 3 339.911 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001368736653 1339657570 /nfs/dbraw/zinc/65/75/70/1339657570.db2.gz VDJNHUPLYJRCFZ-HDMKZQKVSA-N 1 3 337.483 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cc(F)ccc1C ZINC001368818099 1339758111 /nfs/dbraw/zinc/75/81/11/1339758111.db2.gz VVRKQQOAEPVKDB-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cc(F)ccc1C ZINC001368818099 1339758114 /nfs/dbraw/zinc/75/81/14/1339758114.db2.gz VVRKQQOAEPVKDB-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001368949020 1339897590 /nfs/dbraw/zinc/89/75/90/1339897590.db2.gz APGIRUUFYBQBFP-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001368949020 1339897593 /nfs/dbraw/zinc/89/75/93/1339897593.db2.gz APGIRUUFYBQBFP-IFXJQAMLSA-N 1 3 347.478 2.734 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001370313742 1340029539 /nfs/dbraw/zinc/02/95/39/1340029539.db2.gz MPHJNCIYSJIIMF-KRWDZBQOSA-N 1 3 335.467 2.502 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001370543712 1340126201 /nfs/dbraw/zinc/12/62/01/1340126201.db2.gz ABNBSTLJULNXTD-SCNLOKJLSA-N 1 3 329.488 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1 ZINC001370778672 1340206512 /nfs/dbraw/zinc/20/65/12/1340206512.db2.gz FKMOOLYHQUVQLJ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001370778672 1340206517 /nfs/dbraw/zinc/20/65/17/1340206517.db2.gz FKMOOLYHQUVQLJ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370786685 1340210854 /nfs/dbraw/zinc/21/08/54/1340210854.db2.gz UJFXLMZZVHUNBL-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370786685 1340210856 /nfs/dbraw/zinc/21/08/56/1340210856.db2.gz UJFXLMZZVHUNBL-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccccc1)N(C)C ZINC001370860919 1340242122 /nfs/dbraw/zinc/24/21/22/1340242122.db2.gz XMMJZVGFGZAXKO-PMACEKPBSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccccc1)N(C)C ZINC001370860919 1340242125 /nfs/dbraw/zinc/24/21/25/1340242125.db2.gz XMMJZVGFGZAXKO-PMACEKPBSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919405 1340284731 /nfs/dbraw/zinc/28/47/31/1340284731.db2.gz ZDOARLCHNBMFEM-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919405 1340284735 /nfs/dbraw/zinc/28/47/35/1340284735.db2.gz ZDOARLCHNBMFEM-HZPDHXFCSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001370964786 1340309822 /nfs/dbraw/zinc/30/98/22/1340309822.db2.gz BXQVNUIDCVOQPY-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001370964786 1340309825 /nfs/dbraw/zinc/30/98/25/1340309825.db2.gz BXQVNUIDCVOQPY-ICSRJNTNSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001371075444 1340347415 /nfs/dbraw/zinc/34/74/15/1340347415.db2.gz XULTWBDTZWQQGP-MHJFOBGBSA-N 1 3 345.531 2.895 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001371197135 1340408817 /nfs/dbraw/zinc/40/88/17/1340408817.db2.gz ANOZUMFZAQRJST-QWHCGFSZSA-N 1 3 339.430 2.604 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)c1ccccc1Cl ZINC001371342552 1340511203 /nfs/dbraw/zinc/51/12/03/1340511203.db2.gz GIVHCXFKOVQPHT-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847359 1354430725 /nfs/dbraw/zinc/43/07/25/1354430725.db2.gz NLBISZSNHPDMKX-CJNGLKHVSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847359 1354430728 /nfs/dbraw/zinc/43/07/28/1354430728.db2.gz NLBISZSNHPDMKX-CJNGLKHVSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001371420864 1340577445 /nfs/dbraw/zinc/57/74/45/1340577445.db2.gz SHGDCUYBMNVWCQ-DOMZBBRYSA-N 1 3 327.419 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001371428642 1340583696 /nfs/dbraw/zinc/58/36/96/1340583696.db2.gz MZAJEWRSBWGGGI-BLLLJJGKSA-N 1 3 325.522 2.545 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001371869942 1340731253 /nfs/dbraw/zinc/73/12/53/1340731253.db2.gz QAXMECOQAKWKOB-OXJNMPFZSA-N 1 3 345.531 2.746 20 0 EFADHO CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001373118461 1340913997 /nfs/dbraw/zinc/91/39/97/1340913997.db2.gz DWAVIYYURITLPK-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001373196180 1340942864 /nfs/dbraw/zinc/94/28/64/1340942864.db2.gz NPVRNLCEQWKKES-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001373196180 1340942865 /nfs/dbraw/zinc/94/28/65/1340942865.db2.gz NPVRNLCEQWKKES-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001373222013 1340954796 /nfs/dbraw/zinc/95/47/96/1340954796.db2.gz HNMGICDONSFXHQ-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001373222013 1340954797 /nfs/dbraw/zinc/95/47/97/1340954797.db2.gz HNMGICDONSFXHQ-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001373222021 1340954808 /nfs/dbraw/zinc/95/48/08/1340954808.db2.gz HNMGICDONSFXHQ-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001373222021 1340954809 /nfs/dbraw/zinc/95/48/09/1340954809.db2.gz HNMGICDONSFXHQ-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001373306174 1340983973 /nfs/dbraw/zinc/98/39/73/1340983973.db2.gz XXCHDJPSMFPMOU-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001373306174 1340983974 /nfs/dbraw/zinc/98/39/74/1340983974.db2.gz XXCHDJPSMFPMOU-PMACEKPBSA-N 1 3 345.531 2.658 20 0 EFADHO CN(CCF)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001373321194 1340990698 /nfs/dbraw/zinc/99/06/98/1340990698.db2.gz SIRKCZNYTIHISE-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CCF)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001373321194 1340990699 /nfs/dbraw/zinc/99/06/99/1340990699.db2.gz SIRKCZNYTIHISE-SFHVURJKSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373404184 1341014176 /nfs/dbraw/zinc/01/41/76/1341014176.db2.gz HCURHOZAUXCUSZ-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373404184 1341014177 /nfs/dbraw/zinc/01/41/77/1341014177.db2.gz HCURHOZAUXCUSZ-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1c(C)cccc1Cl ZINC001373799799 1341152927 /nfs/dbraw/zinc/15/29/27/1341152927.db2.gz WVFMSUFKCOQAAT-YOEHRIQHSA-N 1 3 339.911 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001373819175 1341161525 /nfs/dbraw/zinc/16/15/25/1341161525.db2.gz SUYYXAGIZRDFTG-FUHWJXTLSA-N 1 3 335.467 2.639 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001373915906 1341202088 /nfs/dbraw/zinc/20/20/88/1341202088.db2.gz TWHHJXDPCQBGBL-ZHALLVOQSA-N 1 3 349.494 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)N(C)C ZINC001373923895 1341205219 /nfs/dbraw/zinc/20/52/19/1341205219.db2.gz QCFCEXGPRKFYFA-IHRRRGAJSA-N 1 3 337.430 2.542 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374025491 1341314696 /nfs/dbraw/zinc/31/46/96/1341314696.db2.gz CIROJWSDXKFPDT-CRAIPNDOSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001374031631 1341320422 /nfs/dbraw/zinc/32/04/22/1341320422.db2.gz VWCHSKRTYSKXJD-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001374032498 1341321748 /nfs/dbraw/zinc/32/17/48/1341321748.db2.gz ZBJSXWKKCGMXLD-MRXNPFEDSA-N 1 3 331.504 2.575 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001374076688 1341369026 /nfs/dbraw/zinc/36/90/26/1341369026.db2.gz BSJHQUXEUCRHSK-QFBILLFUSA-N 1 3 349.494 2.931 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001374178652 1341519174 /nfs/dbraw/zinc/51/91/74/1341519174.db2.gz LOHDQUIMWVRVFQ-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCc2ccccc2F)CCCC1 ZINC001374178652 1341519176 /nfs/dbraw/zinc/51/91/76/1341519176.db2.gz LOHDQUIMWVRVFQ-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001391896347 1355630527 /nfs/dbraw/zinc/63/05/27/1355630527.db2.gz APWPCLYXTNNBNV-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001391934854 1355661055 /nfs/dbraw/zinc/66/10/55/1355661055.db2.gz ZPNNEKUJRBGUCE-FUHWJXTLSA-N 1 3 325.541 2.885 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)s1)N(C)C(=O)CN(C)C1CCC1 ZINC001374236008 1341589448 /nfs/dbraw/zinc/58/94/48/1341589448.db2.gz VYWKUHZTCWBNJX-GFCCVEGCSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001374319700 1341716855 /nfs/dbraw/zinc/71/68/55/1341716855.db2.gz IIOVANHEIQGCTA-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001374426949 1341908675 /nfs/dbraw/zinc/90/86/75/1341908675.db2.gz PZXXQFXDOFPACY-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663551 1356211331 /nfs/dbraw/zinc/21/13/31/1356211331.db2.gz ZVYKXHVFYNZQFL-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001392663551 1356211336 /nfs/dbraw/zinc/21/13/36/1356211336.db2.gz ZVYKXHVFYNZQFL-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500200 1341985778 /nfs/dbraw/zinc/98/57/78/1341985778.db2.gz SUIWIGYQLYDRMV-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500200 1341985780 /nfs/dbraw/zinc/98/57/80/1341985780.db2.gz SUIWIGYQLYDRMV-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374534826 1342034824 /nfs/dbraw/zinc/03/48/24/1342034824.db2.gz CGIBMMOXXKWNJV-MJGOQNOKSA-N 1 3 331.504 2.870 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001374534826 1342034829 /nfs/dbraw/zinc/03/48/29/1342034829.db2.gz CGIBMMOXXKWNJV-MJGOQNOKSA-N 1 3 331.504 2.870 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]2CNC/C(Cl)=C/Cl)CC1 ZINC001374575165 1342085579 /nfs/dbraw/zinc/08/55/79/1342085579.db2.gz RZQIWPCVRRPCHH-TWBVXLPBSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564053 1342078408 /nfs/dbraw/zinc/07/84/08/1342078408.db2.gz XMMLMPFEHBNADE-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564053 1342078414 /nfs/dbraw/zinc/07/84/14/1342078414.db2.gz XMMLMPFEHBNADE-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001374567804 1342080868 /nfs/dbraw/zinc/08/08/68/1342080868.db2.gz HQGHSLUAONDULT-MOPGFXCFSA-N 1 3 331.504 2.711 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)cs1 ZINC001374570391 1342083092 /nfs/dbraw/zinc/08/30/92/1342083092.db2.gz LIWMNQXJWVUFRU-SJLPKXTDSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)cs1 ZINC001374570390 1342083292 /nfs/dbraw/zinc/08/32/92/1342083292.db2.gz LIWMNQXJWVUFRU-FUHWJXTLSA-N 1 3 349.544 2.915 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1)c1ccccc1F ZINC001374702653 1342121111 /nfs/dbraw/zinc/12/11/11/1342121111.db2.gz YXXCFPGIDOZZPW-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)[C@@H](C(C)C)N(C)C ZINC001374720025 1342135779 /nfs/dbraw/zinc/13/57/79/1342135779.db2.gz CDGKDROPWVNOSC-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001374815345 1342186853 /nfs/dbraw/zinc/18/68/53/1342186853.db2.gz YSMWUPOSFPSEHO-XWIAVFTESA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051931 1342351308 /nfs/dbraw/zinc/35/13/08/1342351308.db2.gz BQAWJUDVPMNWPI-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001375051931 1342351312 /nfs/dbraw/zinc/35/13/12/1342351312.db2.gz BQAWJUDVPMNWPI-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001375096271 1342405736 /nfs/dbraw/zinc/40/57/36/1342405736.db2.gz RPGVQZGSJZHIED-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001375107450 1342417520 /nfs/dbraw/zinc/41/75/20/1342417520.db2.gz ZIYFPOFCQMGOLL-OAHLLOKOSA-N 1 3 339.549 2.705 20 0 EFADHO C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)CN(C)CC(C)(C)C ZINC001375107450 1342417522 /nfs/dbraw/zinc/41/75/22/1342417522.db2.gz ZIYFPOFCQMGOLL-OAHLLOKOSA-N 1 3 339.549 2.705 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1nc[nH]c1C ZINC001375178807 1342494214 /nfs/dbraw/zinc/49/42/14/1342494214.db2.gz WRZUCXYGNZGTKU-SJORKVTESA-N 1 3 334.508 2.961 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001375335592 1342641020 /nfs/dbraw/zinc/64/10/20/1342641020.db2.gz SJSHKAGUEIRKIO-OALUTQOASA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]CCc2ccccc2)CC1)N1CCCCC1 ZINC001375421917 1342725881 /nfs/dbraw/zinc/72/58/81/1342725881.db2.gz RDERRCNMMKNVCK-UHFFFAOYSA-N 1 3 343.515 2.732 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001375496198 1342802317 /nfs/dbraw/zinc/80/23/17/1342802317.db2.gz BXLQNFSDZHTEPG-ZCNNSNEGSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001375502951 1342808590 /nfs/dbraw/zinc/80/85/90/1342808590.db2.gz VZVLFVCMHDUCKJ-NZSAHSFTSA-N 1 3 331.504 2.628 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001375514633 1342822689 /nfs/dbraw/zinc/82/26/89/1342822689.db2.gz TZRHDEDKRBRLSN-YQQAZPJKSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC001375548050 1342862251 /nfs/dbraw/zinc/86/22/51/1342862251.db2.gz BMHHCLSRFUQRQJ-MZMPZRCHSA-N 1 3 349.544 2.691 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001375551093 1342865138 /nfs/dbraw/zinc/86/51/38/1342865138.db2.gz UBBZLYGQZLSIOA-ZMMAXQRCSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001375552349 1342865736 /nfs/dbraw/zinc/86/57/36/1342865736.db2.gz XPSYNZNEHSQLPZ-YYAJDYIMSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001375559379 1342875739 /nfs/dbraw/zinc/87/57/39/1342875739.db2.gz UYVNSONAOWIHDJ-WDSOQIARSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001375576965 1342896618 /nfs/dbraw/zinc/89/66/18/1342896618.db2.gz RFGKMVZXRJNUSM-IHRRRGAJSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001375576965 1342896622 /nfs/dbraw/zinc/89/66/22/1342896622.db2.gz RFGKMVZXRJNUSM-IHRRRGAJSA-N 1 3 348.318 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001375598434 1342916774 /nfs/dbraw/zinc/91/67/74/1342916774.db2.gz QVYQUUQDRFKJGZ-WTKPLQERSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001375598434 1342916778 /nfs/dbraw/zinc/91/67/78/1342916778.db2.gz QVYQUUQDRFKJGZ-WTKPLQERSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001375769272 1342990204 /nfs/dbraw/zinc/99/02/04/1342990204.db2.gz XKNBYWYUMDNFPK-KRWDZBQOSA-N 1 3 337.895 2.762 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001375778975 1343001454 /nfs/dbraw/zinc/00/14/54/1343001454.db2.gz RVZWLISLLJYYLP-IBGZPJMESA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001375875685 1343121775 /nfs/dbraw/zinc/12/17/75/1343121775.db2.gz SAZRCDCEOMFRQC-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001375925393 1343173301 /nfs/dbraw/zinc/17/33/01/1343173301.db2.gz DYLCABFCAOPPJA-ABHNRTSZSA-N 1 3 337.552 2.837 20 0 EFADHO CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375950225 1343203562 /nfs/dbraw/zinc/20/35/62/1343203562.db2.gz LRSXTUULUBTTPH-IBGZPJMESA-N 1 3 325.541 2.983 20 0 EFADHO CCCC[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375950225 1343203564 /nfs/dbraw/zinc/20/35/64/1343203564.db2.gz LRSXTUULUBTTPH-IBGZPJMESA-N 1 3 325.541 2.983 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376054185 1343287727 /nfs/dbraw/zinc/28/77/27/1343287727.db2.gz BZMQOHPYFVBVAX-AEFFLSMTSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376059131 1343292587 /nfs/dbraw/zinc/29/25/87/1343292587.db2.gz MQWGMSWVNZEZDS-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC001376069419 1343302901 /nfs/dbraw/zinc/30/29/01/1343302901.db2.gz LCTNKZOEMVHCIX-HXUWFJFHSA-N 1 3 343.515 2.686 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001376154608 1343359403 /nfs/dbraw/zinc/35/94/03/1343359403.db2.gz PMYMAIOOKKRQRA-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001376154608 1343359406 /nfs/dbraw/zinc/35/94/06/1343359406.db2.gz PMYMAIOOKKRQRA-FQEVSTJZSA-N 1 3 343.515 2.598 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001376174838 1343374962 /nfs/dbraw/zinc/37/49/62/1343374962.db2.gz CQNCNTDBYWRUHT-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001376183159 1343384629 /nfs/dbraw/zinc/38/46/29/1343384629.db2.gz YIEMMBOZJLKUGS-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328437 1343487065 /nfs/dbraw/zinc/48/70/65/1343487065.db2.gz HPRMPYZNVSRIPC-JKSUJKDBSA-N 1 3 349.544 2.602 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)CCC1 ZINC001376369380 1343521214 /nfs/dbraw/zinc/52/12/14/1343521214.db2.gz XTWPCEWEIKUGLR-ZHALLVOQSA-N 1 3 341.499 2.785 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001376370550 1343522158 /nfs/dbraw/zinc/52/21/58/1343522158.db2.gz GAMGMYGKLDNLHD-ULQDDVLXSA-N 1 3 337.895 2.663 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)C1CCC1 ZINC001376371112 1343522245 /nfs/dbraw/zinc/52/22/45/1343522245.db2.gz IPXQUOSVFLEXCC-GPMSIDNRSA-N 1 3 345.462 2.534 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001376386286 1343541187 /nfs/dbraw/zinc/54/11/87/1343541187.db2.gz FDSYLRHVHVAXGY-TWKYDXJASA-N 1 3 347.478 2.636 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376387038 1343541301 /nfs/dbraw/zinc/54/13/01/1343541301.db2.gz GZYJDWMKDIPBDL-GUDVDZBRSA-N 1 3 331.504 2.572 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001376400855 1343555583 /nfs/dbraw/zinc/55/55/83/1343555583.db2.gz KVFHFLPRYCNQCD-HUBLWGQQSA-N 1 3 343.924 2.725 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2F)C1)N(C)C ZINC001376410026 1343565210 /nfs/dbraw/zinc/56/52/10/1343565210.db2.gz OLBOPYPYIJDXTH-MJFSBKNWSA-N 1 3 339.430 2.603 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507409 1343634652 /nfs/dbraw/zinc/63/46/52/1343634652.db2.gz FNODKCZUNAMOTI-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001376507409 1343634653 /nfs/dbraw/zinc/63/46/53/1343634653.db2.gz FNODKCZUNAMOTI-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376628289 1343734493 /nfs/dbraw/zinc/73/44/93/1343734493.db2.gz REAVOZRJUKLHLC-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001376628289 1343734496 /nfs/dbraw/zinc/73/44/96/1343734496.db2.gz REAVOZRJUKLHLC-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001376628275 1343734905 /nfs/dbraw/zinc/73/49/05/1343734905.db2.gz REAVOZRJUKLHLC-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001376628275 1343734907 /nfs/dbraw/zinc/73/49/07/1343734907.db2.gz REAVOZRJUKLHLC-GDBMZVCRSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001376643023 1343741982 /nfs/dbraw/zinc/74/19/82/1343741982.db2.gz DNGGPEDWMSPOGL-LGKHCZOZSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001376643023 1343741986 /nfs/dbraw/zinc/74/19/86/1343741986.db2.gz DNGGPEDWMSPOGL-LGKHCZOZSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001376720278 1343782653 /nfs/dbraw/zinc/78/26/53/1343782653.db2.gz CLSXCYZWIMLMQO-INIZCTEOSA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCc2cccs2)CCC1 ZINC001376738589 1343794734 /nfs/dbraw/zinc/79/47/34/1343794734.db2.gz YPOQYVODYBDARU-QGZVFWFLSA-N 1 3 349.544 2.792 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CCC1)N(C)C ZINC001376754291 1343809219 /nfs/dbraw/zinc/80/92/19/1343809219.db2.gz XMTWEHBWKUNQHB-MRXNPFEDSA-N 1 3 337.895 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001376849044 1343890353 /nfs/dbraw/zinc/89/03/53/1343890353.db2.gz MJSNCVKAOIIZRL-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001376851720 1343892271 /nfs/dbraw/zinc/89/22/71/1343892271.db2.gz VGWMJJJARPJXCU-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001393786980 1357155821 /nfs/dbraw/zinc/15/58/21/1357155821.db2.gz LJWZAFGSVAKSFH-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCc2ccccc2F)[C@H](C)C1 ZINC001393786980 1357155822 /nfs/dbraw/zinc/15/58/22/1357155822.db2.gz LJWZAFGSVAKSFH-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(C/C=C/Cl)CC1 ZINC001376915545 1343953714 /nfs/dbraw/zinc/95/37/14/1343953714.db2.gz WQHXLXOLLIHODL-RDTXFTJFSA-N 1 3 327.900 2.586 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001376946277 1343976895 /nfs/dbraw/zinc/97/68/95/1343976895.db2.gz BBKYAUKUUIGMBC-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001376978958 1344011547 /nfs/dbraw/zinc/01/15/47/1344011547.db2.gz FLXHMTIPDRVJGJ-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(C)cc(C)c1)N(C)C ZINC001376978958 1344011565 /nfs/dbraw/zinc/01/15/65/1344011565.db2.gz FLXHMTIPDRVJGJ-IBGZPJMESA-N 1 3 333.520 2.924 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001376986192 1344021602 /nfs/dbraw/zinc/02/16/02/1344021602.db2.gz DSSAPOHSACMNAR-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001376986192 1344021608 /nfs/dbraw/zinc/02/16/08/1344021608.db2.gz DSSAPOHSACMNAR-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001377065673 1344110684 /nfs/dbraw/zinc/11/06/84/1344110684.db2.gz CAUGZGMEVSWKKF-SUMWQHHRSA-N 1 3 339.549 2.936 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001377151795 1344141646 /nfs/dbraw/zinc/14/16/46/1344141646.db2.gz SANIDZRKUCTUSD-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001377151795 1344141651 /nfs/dbraw/zinc/14/16/51/1344141651.db2.gz SANIDZRKUCTUSD-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001377419580 1344161347 /nfs/dbraw/zinc/16/13/47/1344161347.db2.gz UZDORIHCCRJIFU-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1[C@@H](C)c1ccc(F)cc1 ZINC001377419580 1344161350 /nfs/dbraw/zinc/16/13/50/1344161350.db2.gz UZDORIHCCRJIFU-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(CN(CCNC(=O)CC[NH+]2CCCCC2)C2CC2)cc1 ZINC001377571879 1344182414 /nfs/dbraw/zinc/18/24/14/1344182414.db2.gz UYQPPIMQRJLRJN-UHFFFAOYSA-N 1 3 343.515 2.952 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001377641021 1344251593 /nfs/dbraw/zinc/25/15/93/1344251593.db2.gz OPXUIUFTISXLTR-ROUUACIJSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001377641021 1344251595 /nfs/dbraw/zinc/25/15/95/1344251595.db2.gz OPXUIUFTISXLTR-ROUUACIJSA-N 1 3 325.541 2.932 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001377692330 1344328934 /nfs/dbraw/zinc/32/89/34/1344328934.db2.gz BYULKXSOJYXVRX-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001377692330 1344328937 /nfs/dbraw/zinc/32/89/37/1344328937.db2.gz BYULKXSOJYXVRX-UXHICEINSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001377724293 1344374152 /nfs/dbraw/zinc/37/41/52/1344374152.db2.gz SEUCLRMFAYCIGV-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001377724293 1344374157 /nfs/dbraw/zinc/37/41/57/1344374157.db2.gz SEUCLRMFAYCIGV-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCC3CCCC3)C2)CCC1 ZINC001377758112 1344405905 /nfs/dbraw/zinc/40/59/05/1344405905.db2.gz SWONKQDRZHMAHC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCC3CCCC3)C2)CCC1 ZINC001377758112 1344405908 /nfs/dbraw/zinc/40/59/08/1344405908.db2.gz SWONKQDRZHMAHC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001377762135 1344412126 /nfs/dbraw/zinc/41/21/26/1344412126.db2.gz GKOXQHBJFWJIET-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1)CC(C)(C)C ZINC001377762135 1344412131 /nfs/dbraw/zinc/41/21/31/1344412131.db2.gz GKOXQHBJFWJIET-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2CC)C1 ZINC001377764075 1344414341 /nfs/dbraw/zinc/41/43/41/1344414341.db2.gz TUFPWXSXPBNBSK-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2CC)C1 ZINC001377764075 1344414345 /nfs/dbraw/zinc/41/43/45/1344414345.db2.gz TUFPWXSXPBNBSK-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CCC3CC3)C2)c1 ZINC001377776798 1344425130 /nfs/dbraw/zinc/42/51/30/1344425130.db2.gz BOZPOTDPAVVFHZ-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CCC3CC3)C2)c1 ZINC001377776798 1344425131 /nfs/dbraw/zinc/42/51/31/1344425131.db2.gz BOZPOTDPAVVFHZ-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CCc2ccccc2)CC1)N(C)C ZINC001377781237 1344430954 /nfs/dbraw/zinc/43/09/54/1344430954.db2.gz IPIKNGUXPCWKTN-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CCc2ccccc2)CC1)N(C)C ZINC001377781237 1344430960 /nfs/dbraw/zinc/43/09/60/1344430960.db2.gz IPIKNGUXPCWKTN-HXUWFJFHSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001377836963 1344492842 /nfs/dbraw/zinc/49/28/42/1344492842.db2.gz ASIHSFOFBIOKRR-SQNIBIBYSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001377836963 1344492843 /nfs/dbraw/zinc/49/28/43/1344492843.db2.gz ASIHSFOFBIOKRR-SQNIBIBYSA-N 1 3 325.541 2.835 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\c1ccccc1 ZINC001378047328 1344698811 /nfs/dbraw/zinc/69/88/11/1344698811.db2.gz KEJYITOPJYAHPI-VIFSCDBUSA-N 1 3 341.499 2.717 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C\c1ccccc1 ZINC001378047328 1344698814 /nfs/dbraw/zinc/69/88/14/1344698814.db2.gz KEJYITOPJYAHPI-VIFSCDBUSA-N 1 3 341.499 2.717 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001378083463 1344740282 /nfs/dbraw/zinc/74/02/82/1344740282.db2.gz OLNYYAHOXRIJET-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](CC)C/C=C/Cl)CC1 ZINC001393857020 1357214640 /nfs/dbraw/zinc/21/46/40/1357214640.db2.gz COCXMWPDPHIWCZ-RMKNXTFCSA-N 1 3 329.916 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](CC)C/C=C/Cl)CC1 ZINC001393857020 1357214644 /nfs/dbraw/zinc/21/46/44/1357214644.db2.gz COCXMWPDPHIWCZ-RMKNXTFCSA-N 1 3 329.916 2.641 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCCC1)N(C)C ZINC001378360858 1345011602 /nfs/dbraw/zinc/01/16/02/1345011602.db2.gz ANYBZYNANABMOH-SFHVURJKSA-N 1 3 331.504 2.854 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC001378436914 1345075683 /nfs/dbraw/zinc/07/56/83/1345075683.db2.gz FPFPOWXIYHLPQC-GUDVDZBRSA-N 1 3 331.504 2.852 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1 ZINC001378454349 1345090302 /nfs/dbraw/zinc/09/03/02/1345090302.db2.gz PWUAFFQLKTYZHH-WKILWMFISA-N 1 3 337.533 2.649 20 0 EFADHO CCCN(C)CC(=O)NCCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001378481913 1345114874 /nfs/dbraw/zinc/11/48/74/1345114874.db2.gz FHZVISABEIDQKA-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1sccc1Cl ZINC001378564208 1345166152 /nfs/dbraw/zinc/16/61/52/1345166152.db2.gz HEJROGHHCYXEDS-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378536767 1345147619 /nfs/dbraw/zinc/14/76/19/1345147619.db2.gz VMTWFDDPYYTJDO-XLIONFOSSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001378567628 1345169040 /nfs/dbraw/zinc/16/90/40/1345169040.db2.gz YJVKLHXEUAWUKQ-YLJYHZDGSA-N 1 3 345.531 2.560 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001378580146 1345176675 /nfs/dbraw/zinc/17/66/75/1345176675.db2.gz NSZIXSSTVLZFAE-WMLDXEAASA-N 1 3 331.460 2.615 20 0 EFADHO CCc1ccc(CC[NH+]2CC([C@@H](C)NC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001378581715 1345178278 /nfs/dbraw/zinc/17/82/78/1345178278.db2.gz LDOBAWXDDNEXNH-UZLBHIALSA-N 1 3 345.531 2.568 20 0 EFADHO Cc1ccc(CC[NH+]2CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001378592555 1345185546 /nfs/dbraw/zinc/18/55/46/1345185546.db2.gz YJVKLHXEUAWUKQ-PXNSSMCTSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001378611676 1345197649 /nfs/dbraw/zinc/19/76/49/1345197649.db2.gz JDVONFBTVBJMDS-HNAYVOBHSA-N 1 3 333.520 2.732 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001378616793 1345200617 /nfs/dbraw/zinc/20/06/17/1345200617.db2.gz SBFLWQUXADIMLC-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001378621389 1345204360 /nfs/dbraw/zinc/20/43/60/1345204360.db2.gz GLZXAFMRCMIQOX-CHWSQXEVSA-N 1 3 332.423 2.503 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001378842741 1345355782 /nfs/dbraw/zinc/35/57/82/1345355782.db2.gz MOHXEKFPHLMMIO-YJBOKZPZSA-N 1 3 337.483 2.679 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001378845871 1345358632 /nfs/dbraw/zinc/35/86/32/1345358632.db2.gz STPIKUSAJJHOIP-CJNGLKHVSA-N 1 3 325.522 2.579 20 0 EFADHO CC[C@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+](CC)CC ZINC001378901993 1345410906 /nfs/dbraw/zinc/41/09/06/1345410906.db2.gz GROVYJYINGBAIS-JXMNSVBMSA-N 1 3 329.916 2.782 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1 ZINC001378921007 1345426221 /nfs/dbraw/zinc/42/62/21/1345426221.db2.gz KNSKOJDOFKEOHL-HQWZXOHUSA-N 1 3 341.927 2.784 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1 ZINC001378921007 1345426223 /nfs/dbraw/zinc/42/62/23/1345426223.db2.gz KNSKOJDOFKEOHL-HQWZXOHUSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001378921046 1345426310 /nfs/dbraw/zinc/42/63/10/1345426310.db2.gz UPFVXKGWOYVQGH-CHWSQXEVSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC001378925555 1345431423 /nfs/dbraw/zinc/43/14/23/1345431423.db2.gz XCXBQUZIXMLNMY-QGBLLJAOSA-N 1 3 348.318 2.616 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C(C)C)c1 ZINC001378967065 1345465857 /nfs/dbraw/zinc/46/58/57/1345465857.db2.gz VYCWZUXIKYRDES-IBGZPJMESA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001379028553 1345509799 /nfs/dbraw/zinc/50/97/99/1345509799.db2.gz VMHNMFRFRYHTNK-WOJBJXKFSA-N 1 3 345.531 2.908 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@@H]2CCc3ccc(F)cc32)CCC1 ZINC001379051831 1345533493 /nfs/dbraw/zinc/53/34/93/1345533493.db2.gz MIMSELIXHROORL-GOSISDBHSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@@H]2CCc3ccc(F)cc32)CCC1 ZINC001379051831 1345533496 /nfs/dbraw/zinc/53/34/96/1345533496.db2.gz MIMSELIXHROORL-GOSISDBHSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@@H](c1ccccc1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001379072361 1345552312 /nfs/dbraw/zinc/55/23/12/1345552312.db2.gz CWDUOFPKZBUDBP-KRWDZBQOSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCN1C ZINC001379099377 1345575931 /nfs/dbraw/zinc/57/59/31/1345575931.db2.gz DOHMCFOGEAMHAW-DNVCBOLYSA-N 1 3 346.519 2.544 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F)[NH+](C)C ZINC001379104508 1345581450 /nfs/dbraw/zinc/58/14/50/1345581450.db2.gz ZCAWLIBOQAGDJV-RTBURBONSA-N 1 3 349.494 2.789 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001379134401 1345612413 /nfs/dbraw/zinc/61/24/13/1345612413.db2.gz GBKXCWALJAEPCL-GUYCJALGSA-N 1 3 339.549 2.888 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152034 1345628791 /nfs/dbraw/zinc/62/87/91/1345628791.db2.gz PYKRPRBXJYZHIQ-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152034 1345628794 /nfs/dbraw/zinc/62/87/94/1345628794.db2.gz PYKRPRBXJYZHIQ-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001379153723 1345629555 /nfs/dbraw/zinc/62/95/55/1345629555.db2.gz ZEKQHVXZVRWFAK-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001379232040 1345671685 /nfs/dbraw/zinc/67/16/85/1345671685.db2.gz VDMPQBMRIRZJAK-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379234388 1345673487 /nfs/dbraw/zinc/67/34/87/1345673487.db2.gz SOAJEORZRAQRCR-CRAIPNDOSA-N 1 3 337.483 2.679 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001379266792 1345687802 /nfs/dbraw/zinc/68/78/02/1345687802.db2.gz LRTKASCQZKYXKQ-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001379266792 1345687806 /nfs/dbraw/zinc/68/78/06/1345687806.db2.gz LRTKASCQZKYXKQ-KBPBESRZSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001379280433 1345696431 /nfs/dbraw/zinc/69/64/31/1345696431.db2.gz GBZWOUUIOXJVSD-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)C1(N(C)C)CCC1 ZINC001379312674 1345717838 /nfs/dbraw/zinc/71/78/38/1345717838.db2.gz ZYGLHTSLBVQDBQ-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001379383020 1345757254 /nfs/dbraw/zinc/75/72/54/1345757254.db2.gz NLXHVKYPQBXAHX-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379383479 1345757320 /nfs/dbraw/zinc/75/73/20/1345757320.db2.gz PCWUZKGJJJPJRA-MRXNPFEDSA-N 1 3 331.504 2.718 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)c1cccc(CN(C)C)c1 ZINC001379464976 1345801465 /nfs/dbraw/zinc/80/14/65/1345801465.db2.gz MVLHEWZHVMTUOY-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001379520616 1345823814 /nfs/dbraw/zinc/82/38/14/1345823814.db2.gz PKKXOVNENHMWQM-HNNXBMFYSA-N 1 3 349.906 2.871 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)CN(C)CC(C)(C)C ZINC001379553287 1345852480 /nfs/dbraw/zinc/85/24/80/1345852480.db2.gz PXXZFYGECCTHBP-INIZCTEOSA-N 1 3 345.531 2.748 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175022 1373732856 /nfs/dbraw/zinc/73/28/56/1373732856.db2.gz NJSLTIGARAWRKZ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001379578789 1345884298 /nfs/dbraw/zinc/88/42/98/1345884298.db2.gz HTWYXRLTLDKLSX-FZMZJTMJSA-N 1 3 331.913 2.582 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001379686869 1347259229 /nfs/dbraw/zinc/25/92/29/1347259229.db2.gz XSQVCSZMUKOBRV-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc(CF)cc1)NC(=O)CN(C)C1CCC1 ZINC001379686869 1347259232 /nfs/dbraw/zinc/25/92/32/1347259232.db2.gz XSQVCSZMUKOBRV-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001379689983 1347261268 /nfs/dbraw/zinc/26/12/68/1347261268.db2.gz XHSTXCKILVLQLJ-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001379693492 1347264358 /nfs/dbraw/zinc/26/43/58/1347264358.db2.gz RWQRGYCBIISHEX-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001379693492 1347264361 /nfs/dbraw/zinc/26/43/61/1347264361.db2.gz RWQRGYCBIISHEX-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001379878028 1347383606 /nfs/dbraw/zinc/38/36/06/1347383606.db2.gz OSFBOBFFEHYSGX-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001379902699 1347397605 /nfs/dbraw/zinc/39/76/05/1347397605.db2.gz LRWGFZCBEIOSSJ-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001380021212 1347465496 /nfs/dbraw/zinc/46/54/96/1347465496.db2.gz RUESLNYVBNMTSV-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCc3csc(C)c3)CC2)C1 ZINC001380141440 1347531412 /nfs/dbraw/zinc/53/14/12/1347531412.db2.gz QMMDSFGTFIODSY-KRWDZBQOSA-N 1 3 349.544 2.917 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCc3csc(C)c3)CC2)C1 ZINC001380141440 1347531415 /nfs/dbraw/zinc/53/14/15/1347531415.db2.gz QMMDSFGTFIODSY-KRWDZBQOSA-N 1 3 349.544 2.917 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)c1ccccc1F ZINC001380296202 1347574287 /nfs/dbraw/zinc/57/42/87/1347574287.db2.gz YUDIVBTUCDJFQJ-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN[C@@H](C)c1ccccc1F ZINC001380296202 1347574288 /nfs/dbraw/zinc/57/42/88/1347574288.db2.gz YUDIVBTUCDJFQJ-HOTGVXAUSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001380312455 1347584943 /nfs/dbraw/zinc/58/49/43/1347584943.db2.gz KXHHLTMNXUURFT-HNNXBMFYSA-N 1 3 334.508 2.914 20 0 EFADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001380405214 1347650553 /nfs/dbraw/zinc/65/05/53/1347650553.db2.gz XPPRFPOOCXKQDD-HXUWFJFHSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001380419409 1347658770 /nfs/dbraw/zinc/65/87/70/1347658770.db2.gz GTYLIIIFUZPHSH-QUCCMNQESA-N 1 3 340.471 2.932 20 0 EFADHO CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001380419403 1347658882 /nfs/dbraw/zinc/65/88/82/1347658882.db2.gz GTYLIIIFUZPHSH-AZUAARDMSA-N 1 3 340.471 2.932 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001380675718 1347805172 /nfs/dbraw/zinc/80/51/72/1347805172.db2.gz ZIMMWPIMUQEXKO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N(C)C ZINC001380682050 1347810685 /nfs/dbraw/zinc/81/06/85/1347810685.db2.gz ORJHWNYOBFLIGF-FCGDIQPGSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N(C)C ZINC001380682050 1347810688 /nfs/dbraw/zinc/81/06/88/1347810688.db2.gz ORJHWNYOBFLIGF-FCGDIQPGSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)N(C)C ZINC001380693437 1347817961 /nfs/dbraw/zinc/81/79/61/1347817961.db2.gz UIDXFMKPDHYRPM-WVWRURJHSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)N(C)C ZINC001380693437 1347817963 /nfs/dbraw/zinc/81/79/63/1347817963.db2.gz UIDXFMKPDHYRPM-WVWRURJHSA-N 1 3 341.927 2.684 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001380861848 1347920860 /nfs/dbraw/zinc/92/08/60/1347920860.db2.gz NKJVWRXRZBRYEQ-SFHVURJKSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380935974 1347967788 /nfs/dbraw/zinc/96/77/88/1347967788.db2.gz UYQHOQFDNQCYFO-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001380935974 1347967791 /nfs/dbraw/zinc/96/77/91/1347967791.db2.gz UYQHOQFDNQCYFO-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@H]1CCCN1C ZINC001380950559 1347980591 /nfs/dbraw/zinc/98/05/91/1347980591.db2.gz VRHUBONIUKODMS-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[C@H]1CCCN1C ZINC001380950559 1347980595 /nfs/dbraw/zinc/98/05/95/1347980595.db2.gz VRHUBONIUKODMS-GOSISDBHSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991109 1348009652 /nfs/dbraw/zinc/00/96/52/1348009652.db2.gz UPCBEAFMSVCPEG-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991109 1348009654 /nfs/dbraw/zinc/00/96/54/1348009654.db2.gz UPCBEAFMSVCPEG-QZTJIDSGSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001381123078 1348091688 /nfs/dbraw/zinc/09/16/88/1348091688.db2.gz KTLORSUPHHNRRC-PBHICJAKSA-N 1 3 337.895 2.618 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C2CC2)[C@@H](C)C1 ZINC001381125219 1348093708 /nfs/dbraw/zinc/09/37/08/1348093708.db2.gz TZGCKQPHOSIPFU-JXFKEZNVSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001381136127 1348102547 /nfs/dbraw/zinc/10/25/47/1348102547.db2.gz GZUWIWZEJWVQGR-LJQANCHMSA-N 1 3 343.515 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2ccccc2F)[C@H](C)C1 ZINC001381172367 1348120287 /nfs/dbraw/zinc/12/02/87/1348120287.db2.gz MEPWVUUJGHTOPF-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2F)[C@H](C)C1 ZINC001381172367 1348120288 /nfs/dbraw/zinc/12/02/88/1348120288.db2.gz MEPWVUUJGHTOPF-SJLPKXTDSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001381193338 1348132116 /nfs/dbraw/zinc/13/21/16/1348132116.db2.gz BQIMTQSKFNPYPT-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001381226140 1348152290 /nfs/dbraw/zinc/15/22/90/1348152290.db2.gz JZIWTFKMSVMLAB-YVEFUNNKSA-N 1 3 344.434 2.572 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2 ZINC001381243687 1348161721 /nfs/dbraw/zinc/16/17/21/1348161721.db2.gz VTBULWSQFATKSX-RUDMXATFSA-N 1 3 341.927 2.785 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCc1ccccc1 ZINC001381283619 1348186003 /nfs/dbraw/zinc/18/60/03/1348186003.db2.gz LEOWZAXHSYFNGQ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001381283619 1348186004 /nfs/dbraw/zinc/18/60/04/1348186004.db2.gz LEOWZAXHSYFNGQ-VQTJNVASSA-N 1 3 343.515 2.636 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001381294855 1348193789 /nfs/dbraw/zinc/19/37/89/1348193789.db2.gz TYWCMSWAWDIQKM-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001381294855 1348193791 /nfs/dbraw/zinc/19/37/91/1348193791.db2.gz TYWCMSWAWDIQKM-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1F)N(C)C ZINC001381296434 1348195660 /nfs/dbraw/zinc/19/56/60/1348195660.db2.gz XUYBBKYPYIPUFD-MJGOQNOKSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1F)N(C)C ZINC001381296434 1348195663 /nfs/dbraw/zinc/19/56/63/1348195663.db2.gz XUYBBKYPYIPUFD-MJGOQNOKSA-N 1 3 349.494 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C/C=C\Cl)C2)C1 ZINC001381315145 1348207404 /nfs/dbraw/zinc/20/74/04/1348207404.db2.gz SAWVEVXRMDADDP-BGHPOGFGSA-N 1 3 341.927 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001381315145 1348207405 /nfs/dbraw/zinc/20/74/05/1348207405.db2.gz SAWVEVXRMDADDP-BGHPOGFGSA-N 1 3 341.927 2.641 20 0 EFADHO Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cs1 ZINC001394029039 1357400354 /nfs/dbraw/zinc/40/03/54/1357400354.db2.gz JREPPOBPIIOSES-UHFFFAOYSA-N 1 3 334.489 2.597 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381595761 1348390452 /nfs/dbraw/zinc/39/04/52/1348390452.db2.gz CNCHRFVZWAZCDE-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001381595761 1348390455 /nfs/dbraw/zinc/39/04/55/1348390455.db2.gz CNCHRFVZWAZCDE-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cccnc1CN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001381759149 1348506779 /nfs/dbraw/zinc/50/67/79/1348506779.db2.gz PLYQMUCFQZYAPR-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001381806523 1348539197 /nfs/dbraw/zinc/53/91/97/1348539197.db2.gz GXAVQKCBDPQODX-IAGOWNOFSA-N 1 3 331.504 2.834 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C1CN([C@H](C)c2cccc(C)c2)C1 ZINC001381806523 1348539199 /nfs/dbraw/zinc/53/91/99/1348539199.db2.gz GXAVQKCBDPQODX-IAGOWNOFSA-N 1 3 331.504 2.834 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001381805813 1348539371 /nfs/dbraw/zinc/53/93/71/1348539371.db2.gz NLBJOJPMJGGYQZ-CQSZACIVSA-N 1 3 345.478 2.590 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001381826401 1348554335 /nfs/dbraw/zinc/55/43/35/1348554335.db2.gz VCFPDHHXFFAZBE-OXJNMPFZSA-N 1 3 345.531 2.772 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CCC[NH+]1CCCC1 ZINC001382307328 1348858627 /nfs/dbraw/zinc/85/86/27/1348858627.db2.gz FQVDRNHDLRXXNR-WMZOPIPTSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C[C@H]1C ZINC001382320257 1348868902 /nfs/dbraw/zinc/86/89/02/1348868902.db2.gz XDKPMUHOYLYGEK-OLZOCXBDSA-N 1 3 343.924 2.822 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001382580256 1349031104 /nfs/dbraw/zinc/03/11/04/1349031104.db2.gz VEKXJGXCFSQXFW-UHFFFAOYSA-N 1 3 349.544 2.928 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001382589898 1349036523 /nfs/dbraw/zinc/03/65/23/1349036523.db2.gz PARUHEIRGAABRA-FHERZECASA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(N[C@@H](C)c2ccccc2F)C1 ZINC001382589898 1349036527 /nfs/dbraw/zinc/03/65/27/1349036527.db2.gz PARUHEIRGAABRA-FHERZECASA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001382589163 1349037093 /nfs/dbraw/zinc/03/70/93/1349037093.db2.gz LDFZYPQQOSRSDV-JCYILVPMSA-N 1 3 337.533 2.784 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cccc(Cl)c1 ZINC001394098466 1357467555 /nfs/dbraw/zinc/46/75/55/1357467555.db2.gz AJSUPWJKCPLWQT-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCCC1)N(C)C ZINC001394116359 1357489428 /nfs/dbraw/zinc/48/94/28/1357489428.db2.gz ZDNHXKIVVGPCJO-SJLPKXTDSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001394116359 1357489431 /nfs/dbraw/zinc/48/94/31/1357489431.db2.gz ZDNHXKIVVGPCJO-SJLPKXTDSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001394139633 1357523326 /nfs/dbraw/zinc/52/33/26/1357523326.db2.gz OZDVJXFNJOEAKT-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccc(CF)cc1 ZINC001394141128 1357524650 /nfs/dbraw/zinc/52/46/50/1357524650.db2.gz YFLARKRWXXWOJO-QGZVFWFLSA-N 1 3 349.494 2.969 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CCC2CCCC2)C1 ZINC001394251758 1357639182 /nfs/dbraw/zinc/63/91/82/1357639182.db2.gz QOKMAEDFXJJNRB-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001388680939 1352915478 /nfs/dbraw/zinc/91/54/78/1352915478.db2.gz KPOFYJUXRZCALP-SAKMYQHLSA-N 1 3 349.494 2.957 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001388700219 1352931524 /nfs/dbraw/zinc/93/15/24/1352931524.db2.gz WAMKJWXOOZHUJP-OTWHNJEPSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001388726853 1352954374 /nfs/dbraw/zinc/95/43/74/1352954374.db2.gz SYKGYNQJGMUZIE-QWFCFKBJSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001388736361 1352963106 /nfs/dbraw/zinc/96/31/06/1352963106.db2.gz PISIANASXQPGTF-DJIMGWMZSA-N 1 3 340.471 2.815 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1c1ccccc1)N(C)C ZINC001388750173 1352976363 /nfs/dbraw/zinc/97/63/63/1352976363.db2.gz ZMQCQVSLZONJHO-OTWHNJEPSA-N 1 3 349.494 2.516 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1c1ccccc1)N(C)C ZINC001388750173 1352976366 /nfs/dbraw/zinc/97/63/66/1352976366.db2.gz ZMQCQVSLZONJHO-OTWHNJEPSA-N 1 3 349.494 2.516 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN(C)C3CCC3)CC2)cc1 ZINC001389330421 1353307585 /nfs/dbraw/zinc/30/75/85/1353307585.db2.gz AUDDUNRZWJVOAL-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001389510586 1353441508 /nfs/dbraw/zinc/44/15/08/1353441508.db2.gz NWQQNVLAGRWRMP-JDBYYAOJSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001389510586 1353441513 /nfs/dbraw/zinc/44/15/13/1353441513.db2.gz NWQQNVLAGRWRMP-JDBYYAOJSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001389696014 1353561035 /nfs/dbraw/zinc/56/10/35/1353561035.db2.gz ULVBVTILHNMLLQ-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898961 1353675782 /nfs/dbraw/zinc/67/57/82/1353675782.db2.gz MBPLHTSNUAXHDB-BNEJOLLZSA-N 1 3 335.467 2.710 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001389904004 1353679336 /nfs/dbraw/zinc/67/93/36/1353679336.db2.gz YVSHXQDYCBDMNM-GUDVDZBRSA-N 1 3 331.504 2.572 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2)CC(C)(C)C ZINC001394348117 1357720365 /nfs/dbraw/zinc/72/03/65/1357720365.db2.gz MYVLRQBHFUZRGT-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2)CC(C)(C)C ZINC001394348117 1357720371 /nfs/dbraw/zinc/72/03/71/1357720371.db2.gz MYVLRQBHFUZRGT-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001390127258 1353834237 /nfs/dbraw/zinc/83/42/37/1353834237.db2.gz LLYPEOFLCCKSFN-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCc1cccs1)C2 ZINC001394349238 1357723231 /nfs/dbraw/zinc/72/32/31/1357723231.db2.gz IJUNKFLWJRKLMC-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCc1cccs1)C2 ZINC001394349238 1357723234 /nfs/dbraw/zinc/72/32/34/1357723234.db2.gz IJUNKFLWJRKLMC-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001390262868 1353961560 /nfs/dbraw/zinc/96/15/60/1353961560.db2.gz DBDZUCLDGNUIOU-FAFZWHIHSA-N 1 3 349.494 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001390278763 1353974429 /nfs/dbraw/zinc/97/44/29/1353974429.db2.gz ZFQXUTKESURWPL-ACBHZAAOSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001390407380 1354068978 /nfs/dbraw/zinc/06/89/78/1354068978.db2.gz UEOHVHXLKZYXEM-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001390407381 1354069032 /nfs/dbraw/zinc/06/90/32/1354069032.db2.gz UEOHVHXLKZYXEM-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](CNC/C(Cl)=C\Cl)C1 ZINC001390606819 1354201294 /nfs/dbraw/zinc/20/12/94/1354201294.db2.gz TUPLHUVIJWFJEA-MFYHJKBNSA-N 1 3 348.318 2.620 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001390607408 1354201843 /nfs/dbraw/zinc/20/18/43/1354201843.db2.gz GMPKWOQUJNLNCN-ZWKOTPCHSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001390628831 1354225810 /nfs/dbraw/zinc/22/58/10/1354225810.db2.gz SBJYJGSUWDRAJW-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001390628831 1354225815 /nfs/dbraw/zinc/22/58/15/1354225815.db2.gz SBJYJGSUWDRAJW-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001390638441 1354236214 /nfs/dbraw/zinc/23/62/14/1354236214.db2.gz TWPSIEVUMGGVEQ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001390638441 1354236215 /nfs/dbraw/zinc/23/62/15/1354236215.db2.gz TWPSIEVUMGGVEQ-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CCc1cccc(C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001390817541 1354403704 /nfs/dbraw/zinc/40/37/04/1354403704.db2.gz LLJRMSLVEXVSMC-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001390817541 1354403705 /nfs/dbraw/zinc/40/37/05/1354403705.db2.gz LLJRMSLVEXVSMC-UHFFFAOYSA-N 1 3 333.520 2.775 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390819945 1354406431 /nfs/dbraw/zinc/40/64/31/1354406431.db2.gz QPZVVGPRUQCDAA-CRAIPNDOSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390819945 1354406433 /nfs/dbraw/zinc/40/64/33/1354406433.db2.gz QPZVVGPRUQCDAA-CRAIPNDOSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848607 1354431914 /nfs/dbraw/zinc/43/19/14/1354431914.db2.gz XCUQIJPDELJPON-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001390848607 1354431916 /nfs/dbraw/zinc/43/19/16/1354431916.db2.gz XCUQIJPDELJPON-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CCNC(=O)CC[NH+]1CCCCC1)[C@H]1CCc2ccc(F)cc21 ZINC001390859600 1354442105 /nfs/dbraw/zinc/44/21/05/1354442105.db2.gz TXZULQWYIXYENR-IBGZPJMESA-N 1 3 347.478 2.737 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)CCC[NH+]2CCCC2)c1 ZINC001390860638 1354442749 /nfs/dbraw/zinc/44/27/49/1354442749.db2.gz YFWLTPSNBLWALX-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001390863165 1354445544 /nfs/dbraw/zinc/44/55/44/1354445544.db2.gz JXNAWKITWCTFSY-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCCN2CC)c1 ZINC001390863165 1354445546 /nfs/dbraw/zinc/44/55/46/1354445546.db2.gz JXNAWKITWCTFSY-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391100719 1354794651 /nfs/dbraw/zinc/79/46/51/1354794651.db2.gz VVJXDNCPVBLNJT-WOJBJXKFSA-N 1 3 345.531 2.562 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001391100719 1354794654 /nfs/dbraw/zinc/79/46/54/1354794654.db2.gz VVJXDNCPVBLNJT-WOJBJXKFSA-N 1 3 345.531 2.562 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001397646913 1360024042 /nfs/dbraw/zinc/02/40/42/1360024042.db2.gz HYEUEWWTLWKCNA-QAQDUYKDSA-N 1 3 347.478 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391107310 1354803356 /nfs/dbraw/zinc/80/33/56/1354803356.db2.gz AHANUYZVECWYAM-MOPGFXCFSA-N 1 3 349.494 2.680 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001391107310 1354803361 /nfs/dbraw/zinc/80/33/61/1354803361.db2.gz AHANUYZVECWYAM-MOPGFXCFSA-N 1 3 349.494 2.680 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001391116201 1354815903 /nfs/dbraw/zinc/81/59/03/1354815903.db2.gz WLQWZSQQEWHSNY-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001391116201 1354815913 /nfs/dbraw/zinc/81/59/13/1354815913.db2.gz WLQWZSQQEWHSNY-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001391116954 1354820025 /nfs/dbraw/zinc/82/00/25/1354820025.db2.gz ZDXAPDJEQRCANP-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001391116954 1354820028 /nfs/dbraw/zinc/82/00/28/1354820028.db2.gz ZDXAPDJEQRCANP-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)c1ccccc1C[N@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001391154625 1354878343 /nfs/dbraw/zinc/87/83/43/1354878343.db2.gz LCXWNKVZPAHDCR-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](CCNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001391154625 1354878348 /nfs/dbraw/zinc/87/83/48/1354878348.db2.gz LCXWNKVZPAHDCR-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001391212147 1354936551 /nfs/dbraw/zinc/93/65/51/1354936551.db2.gz FTCQBTPSRWLVRK-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001391224682 1354946802 /nfs/dbraw/zinc/94/68/02/1354946802.db2.gz GKCJQORPVLGLGK-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001391309968 1355054770 /nfs/dbraw/zinc/05/47/70/1355054770.db2.gz LBYDINDKZGXVHO-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001391309968 1355054774 /nfs/dbraw/zinc/05/47/74/1355054774.db2.gz LBYDINDKZGXVHO-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2F)C1)C1CCC1 ZINC001391315321 1355062305 /nfs/dbraw/zinc/06/23/05/1355062305.db2.gz XRLBILDGOUADQL-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)C1CCC1 ZINC001391315321 1355062310 /nfs/dbraw/zinc/06/23/10/1355062310.db2.gz XRLBILDGOUADQL-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001391342077 1355098023 /nfs/dbraw/zinc/09/80/23/1355098023.db2.gz TUKCSTBAORIQMB-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001391342077 1355098030 /nfs/dbraw/zinc/09/80/30/1355098030.db2.gz TUKCSTBAORIQMB-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001391350939 1355109615 /nfs/dbraw/zinc/10/96/15/1355109615.db2.gz DXGSTBVZYRAAES-NHHWLVAYSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001391350939 1355109617 /nfs/dbraw/zinc/10/96/17/1355109617.db2.gz DXGSTBVZYRAAES-NHHWLVAYSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001391351045 1355110269 /nfs/dbraw/zinc/11/02/69/1355110269.db2.gz DXGSTBVZYRAAES-ZBWUASRJSA-N 1 3 343.515 2.822 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001391351045 1355110273 /nfs/dbraw/zinc/11/02/73/1355110273.db2.gz DXGSTBVZYRAAES-ZBWUASRJSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001391384783 1355154275 /nfs/dbraw/zinc/15/42/75/1355154275.db2.gz SUQDDHIIDOJXBY-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001391384783 1355154278 /nfs/dbraw/zinc/15/42/78/1355154278.db2.gz SUQDDHIIDOJXBY-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[NH+]2CC(CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001391503958 1355255041 /nfs/dbraw/zinc/25/50/41/1355255041.db2.gz HYEISLPDTZIRDE-UHFFFAOYSA-N 1 3 345.531 2.563 20 0 EFADHO CC(C)c1ccccc1CN1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391512973 1355264159 /nfs/dbraw/zinc/26/41/59/1355264159.db2.gz GNQUNTODHBFRDI-FQEVSTJZSA-N 1 3 345.531 2.944 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001391525172 1355274924 /nfs/dbraw/zinc/27/49/24/1355274924.db2.gz OHOYMFGFNCDIMO-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001391619018 1355361921 /nfs/dbraw/zinc/36/19/21/1355361921.db2.gz IAVCHIWMHHXUOW-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001391630927 1355377284 /nfs/dbraw/zinc/37/72/84/1355377284.db2.gz ICVORKPQORLMPH-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C2)c1 ZINC001391630927 1355377296 /nfs/dbraw/zinc/37/72/96/1355377296.db2.gz ICVORKPQORLMPH-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCC1)N(C)C ZINC001391775313 1355519546 /nfs/dbraw/zinc/51/95/46/1355519546.db2.gz CEMGDCOLVSDVAK-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1)CC(C)(C)C ZINC001391826718 1355570163 /nfs/dbraw/zinc/57/01/63/1355570163.db2.gz NRZCLLDXCWYJGI-IFDUGMKFSA-N 1 3 329.916 2.734 20 0 EFADHO CN(C)C1(C(=O)NCCC2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC001391841753 1355584738 /nfs/dbraw/zinc/58/47/38/1355584738.db2.gz KAFIBOWZPMLFJK-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2F ZINC001391862375 1355602280 /nfs/dbraw/zinc/60/22/80/1355602280.db2.gz WVNHYROBONOTHB-BEFAXECRSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001391925592 1355653424 /nfs/dbraw/zinc/65/34/24/1355653424.db2.gz OCQALFASHCSSAX-WMLDXEAASA-N 1 3 339.911 2.768 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001391939563 1355664981 /nfs/dbraw/zinc/66/49/81/1355664981.db2.gz UBVVQWFYLXTAGM-CQSZACIVSA-N 1 3 339.549 2.876 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001391948844 1355673204 /nfs/dbraw/zinc/67/32/04/1355673204.db2.gz IZKMLLALVMANED-GUYCJALGSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001391973401 1355693247 /nfs/dbraw/zinc/69/32/47/1355693247.db2.gz XFTNEMIPXIRSKV-GFCCVEGCSA-N 1 3 348.878 2.765 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001392041612 1355732088 /nfs/dbraw/zinc/73/20/88/1355732088.db2.gz PDDHAYKMFQZPLE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001392048373 1355735640 /nfs/dbraw/zinc/73/56/40/1355735640.db2.gz HHNVGNWBXQLAMM-DNVCBOLYSA-N 1 3 346.519 2.544 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001392069625 1355747801 /nfs/dbraw/zinc/74/78/01/1355747801.db2.gz DHHNRBDXJNUVSW-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1F ZINC001392070931 1355748793 /nfs/dbraw/zinc/74/87/93/1355748793.db2.gz HWSBMIKNEPCVLC-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C)[C@H](C)C1 ZINC001392178602 1355832099 /nfs/dbraw/zinc/83/20/99/1355832099.db2.gz IZXBGFYKCUWLBA-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001392182860 1355836092 /nfs/dbraw/zinc/83/60/92/1355836092.db2.gz QFLDMVBFVFBQSH-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](C(=O)N1CCC(CCN(C)CCF)CC1)[NH+]1CCCCCC1 ZINC001392192204 1355847502 /nfs/dbraw/zinc/84/75/02/1355847502.db2.gz DXQHUDOTPCDXBL-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CC(C)Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001392264724 1355920735 /nfs/dbraw/zinc/92/07/35/1355920735.db2.gz GHRAWVUZQKKFCD-HXUWFJFHSA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001392264724 1355920738 /nfs/dbraw/zinc/92/07/38/1355920738.db2.gz GHRAWVUZQKKFCD-HXUWFJFHSA-N 1 3 345.531 2.870 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CCN2Cc2ccccc2F)C1 ZINC001392350808 1356013816 /nfs/dbraw/zinc/01/38/16/1356013816.db2.gz RUTICRPLZMBEMR-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001392359009 1356016522 /nfs/dbraw/zinc/01/65/22/1356016522.db2.gz XAXXVLDEVLPUAJ-FUHWJXTLSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001392566931 1356125994 /nfs/dbraw/zinc/12/59/94/1356125994.db2.gz FMYTYUWLLYOJMT-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001392599815 1356150472 /nfs/dbraw/zinc/15/04/72/1356150472.db2.gz PHQWLRGZNNXZLK-OGHNNQOOSA-N 1 3 341.446 2.706 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2F)C(=O)C1(C[NH+](C)C)CC1 ZINC001401393750 1362748937 /nfs/dbraw/zinc/74/89/37/1362748937.db2.gz YWBRBVPXRMRBRH-GOSISDBHSA-N 1 3 347.478 2.545 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001392692164 1356245031 /nfs/dbraw/zinc/24/50/31/1356245031.db2.gz UONIFERRHGCNSO-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001392718631 1356273515 /nfs/dbraw/zinc/27/35/15/1356273515.db2.gz DXEUXVYNJGGSEE-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001401621602 1362978714 /nfs/dbraw/zinc/97/87/14/1362978714.db2.gz YOMZASYQSFANAQ-MRXNPFEDSA-N 1 3 349.494 2.993 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCN2[C@@H]2CCCc3ccccc32)CC1 ZINC001392849351 1356373891 /nfs/dbraw/zinc/37/38/91/1356373891.db2.gz XJHLBJXMVGRYQU-PKOBYXMFSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCCN3C(C)C)CC2)c1 ZINC001392939081 1356447913 /nfs/dbraw/zinc/44/79/13/1356447913.db2.gz CLCWTMVKSDXKDT-IBGZPJMESA-N 1 3 343.515 2.996 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C[C@@H]1C ZINC001393044467 1356534019 /nfs/dbraw/zinc/53/40/19/1356534019.db2.gz ZNYKTJTVFINYQW-HKUYNNGSSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393175202 1356681274 /nfs/dbraw/zinc/68/12/74/1356681274.db2.gz WTUDLAVVKXQJSJ-DXWDOBMASA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C/C=C/Cl)CC1 ZINC001393175202 1356681279 /nfs/dbraw/zinc/68/12/79/1356681279.db2.gz WTUDLAVVKXQJSJ-DXWDOBMASA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1(C)CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001402201213 1363511053 /nfs/dbraw/zinc/51/10/53/1363511053.db2.gz OAVGVGFLIZNUKM-PPYMECGQSA-N 1 3 329.916 2.543 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(C)CCN(Cc2cccc(F)c2)CC1 ZINC001393181560 1356687215 /nfs/dbraw/zinc/68/72/15/1356687215.db2.gz UAXXQSJYADJFDD-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@H]2C1 ZINC001393412771 1356828469 /nfs/dbraw/zinc/82/84/69/1356828469.db2.gz JLKBAAKDHUJXRR-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@H]2C1 ZINC001393412771 1356828472 /nfs/dbraw/zinc/82/84/72/1356828472.db2.gz JLKBAAKDHUJXRR-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001393492194 1356894228 /nfs/dbraw/zinc/89/42/28/1356894228.db2.gz OCRWATKOPNYHNM-BPUTZDHNSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(NCc2ccccc2F)CCC1)[NH+](C)C ZINC001393565421 1356954297 /nfs/dbraw/zinc/95/42/97/1356954297.db2.gz FEFDOTHXCGDWAT-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1)N(C)C ZINC001393592534 1356972847 /nfs/dbraw/zinc/97/28/47/1356972847.db2.gz GDVJEYQJDDLNAN-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1)N(C)C ZINC001393592534 1356972850 /nfs/dbraw/zinc/97/28/50/1356972850.db2.gz GDVJEYQJDDLNAN-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001393593844 1356973900 /nfs/dbraw/zinc/97/39/00/1356973900.db2.gz CEGPMURYJHITPQ-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001393593844 1356973904 /nfs/dbraw/zinc/97/39/04/1356973904.db2.gz CEGPMURYJHITPQ-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001393614992 1357004307 /nfs/dbraw/zinc/00/43/07/1357004307.db2.gz ZPRHZBCDUBSFOG-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001393614992 1357004312 /nfs/dbraw/zinc/00/43/12/1357004312.db2.gz ZPRHZBCDUBSFOG-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001393621913 1357011151 /nfs/dbraw/zinc/01/11/51/1357011151.db2.gz XQNDYRFDELKQOY-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001393621913 1357011155 /nfs/dbraw/zinc/01/11/55/1357011155.db2.gz XQNDYRFDELKQOY-MOPGFXCFSA-N 1 3 349.494 2.934 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001393630973 1357025331 /nfs/dbraw/zinc/02/53/31/1357025331.db2.gz PZHOACIRATZQCD-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001393630973 1357025335 /nfs/dbraw/zinc/02/53/35/1357025335.db2.gz PZHOACIRATZQCD-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1 ZINC001393638992 1357036926 /nfs/dbraw/zinc/03/69/26/1357036926.db2.gz CFZQXHHREJQBEW-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC001393638992 1357036932 /nfs/dbraw/zinc/03/69/32/1357036932.db2.gz CFZQXHHREJQBEW-LJQANCHMSA-N 1 3 349.494 2.980 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001393644629 1357046334 /nfs/dbraw/zinc/04/63/34/1357046334.db2.gz UPQWZZYOZDLZJZ-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001393644629 1357046336 /nfs/dbraw/zinc/04/63/36/1357046336.db2.gz UPQWZZYOZDLZJZ-LJQANCHMSA-N 1 3 349.494 2.935 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393685712 1357078940 /nfs/dbraw/zinc/07/89/40/1357078940.db2.gz HZZQSDYMGFHUCM-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001394443940 1357824054 /nfs/dbraw/zinc/82/40/54/1357824054.db2.gz BFCDRAGSEAFHNK-MOPGFXCFSA-N 1 3 340.471 2.930 20 0 EFADHO COc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)ccc1C ZINC001394488416 1357870201 /nfs/dbraw/zinc/87/02/01/1357870201.db2.gz GOWJNFPJQJDNNM-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cc2ccccc2o1 ZINC001394518792 1357902390 /nfs/dbraw/zinc/90/23/90/1357902390.db2.gz DJPOJDAZUXPEEV-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1 ZINC001436791131 1387299084 /nfs/dbraw/zinc/29/90/84/1387299084.db2.gz LTFYMLHDTBYJKB-CRAIPNDOSA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001394531915 1357916747 /nfs/dbraw/zinc/91/67/47/1357916747.db2.gz WXUKCZJEVSILJP-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001394668609 1357986864 /nfs/dbraw/zinc/98/68/64/1357986864.db2.gz JAFSEVQXQPTFRC-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001394698752 1358023712 /nfs/dbraw/zinc/02/37/12/1358023712.db2.gz BEYZCDOXRGLNFJ-NVXWUHKLSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001394702073 1358027562 /nfs/dbraw/zinc/02/75/62/1358027562.db2.gz ABQUGFIWXLNJJJ-WMZOPIPTSA-N 1 3 349.494 2.850 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394708054 1358035096 /nfs/dbraw/zinc/03/50/96/1358035096.db2.gz QNYBROZOMOFKNK-MJGOQNOKSA-N 1 3 343.515 2.854 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H](CNCc2ccccc2F)C(C)(C)C)CC1 ZINC001394831011 1358131569 /nfs/dbraw/zinc/13/15/69/1358131569.db2.gz KBPFPDYJQKQTSZ-QGZVFWFLSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001394856553 1358163017 /nfs/dbraw/zinc/16/30/17/1358163017.db2.gz XOQVXZRVBNLRHM-HTWSVDAQSA-N 1 3 343.471 2.852 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437074702 1387395028 /nfs/dbraw/zinc/39/50/28/1387395028.db2.gz ZAZDTBUFIWPGBO-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437074702 1387395034 /nfs/dbraw/zinc/39/50/34/1387395034.db2.gz ZAZDTBUFIWPGBO-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001397075198 1359653212 /nfs/dbraw/zinc/65/32/12/1359653212.db2.gz FOFRNOQCEKVBDT-CFGMGRTJSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001397081119 1359659277 /nfs/dbraw/zinc/65/92/77/1359659277.db2.gz MYLQAFJFAOETQK-POAQFYNOSA-N 1 3 343.515 2.630 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)CC[C@@H]2C1 ZINC001397218928 1359759079 /nfs/dbraw/zinc/75/90/79/1359759079.db2.gz PFWOSTROJPGTSZ-SXLOBPIMSA-N 1 3 343.515 2.870 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)CC[C@@H]2C1 ZINC001397218928 1359759081 /nfs/dbraw/zinc/75/90/81/1359759081.db2.gz PFWOSTROJPGTSZ-SXLOBPIMSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001397624039 1360008883 /nfs/dbraw/zinc/00/88/83/1360008883.db2.gz VDJPSOKMQWFAEL-CALCHBBNSA-N 1 3 346.519 2.961 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001397638307 1360019733 /nfs/dbraw/zinc/01/97/33/1360019733.db2.gz XPSYNZNEHSQLPZ-NNFUDEMPSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001397668411 1360037201 /nfs/dbraw/zinc/03/72/01/1360037201.db2.gz PGERZIFSGCPZHV-QGPMSJSTSA-N 1 3 343.471 2.757 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397695314 1360056466 /nfs/dbraw/zinc/05/64/66/1360056466.db2.gz KPOFYJUXRZCALP-STEAMIEHSA-N 1 3 349.494 2.957 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001397700029 1360060308 /nfs/dbraw/zinc/06/03/08/1360060308.db2.gz QSBQCESQKNDXLW-IIDMSEBBSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001398203322 1360377173 /nfs/dbraw/zinc/37/71/73/1360377173.db2.gz JACWZZCMJOWZSM-VQIMIIECSA-N 1 3 349.494 2.733 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001398358100 1360481789 /nfs/dbraw/zinc/48/17/89/1360481789.db2.gz GYJCGZWAHTZURA-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001398358100 1360481791 /nfs/dbraw/zinc/48/17/91/1360481791.db2.gz GYJCGZWAHTZURA-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001398404380 1360523255 /nfs/dbraw/zinc/52/32/55/1360523255.db2.gz KXSQYYNZHKYWCT-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001398465099 1360583361 /nfs/dbraw/zinc/58/33/61/1360583361.db2.gz NXFSECFLDMAKEY-UXHZXRBQSA-N 1 3 341.927 2.785 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)CCC2CCCC2)c1 ZINC001492873523 1360626240 /nfs/dbraw/zinc/62/62/40/1360626240.db2.gz JLIKYFNAIJIQKQ-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)CCC2CCCC2)c1 ZINC001492873523 1360626245 /nfs/dbraw/zinc/62/62/45/1360626245.db2.gz JLIKYFNAIJIQKQ-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001398551853 1360640350 /nfs/dbraw/zinc/64/03/50/1360640350.db2.gz HDGLVIYFIAJIMY-TVFCKZIOSA-N 1 3 335.467 2.854 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001398559521 1360645252 /nfs/dbraw/zinc/64/52/52/1360645252.db2.gz DPLBPLDTXCYSPG-VJANTYMQSA-N 1 3 331.504 2.961 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2Cl)C1 ZINC001398568852 1360650279 /nfs/dbraw/zinc/65/02/79/1360650279.db2.gz SXTHABSBFFVFRF-RBSFLKMASA-N 1 3 337.895 2.980 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001398665886 1360697159 /nfs/dbraw/zinc/69/71/59/1360697159.db2.gz GCZUUYBTKKTDQV-INIZCTEOSA-N 1 3 337.533 2.727 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001398665886 1360697164 /nfs/dbraw/zinc/69/71/64/1360697164.db2.gz GCZUUYBTKKTDQV-INIZCTEOSA-N 1 3 337.533 2.727 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001398939159 1360882643 /nfs/dbraw/zinc/88/26/43/1360882643.db2.gz FLBYPYZSLIYUAZ-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013548 1360932292 /nfs/dbraw/zinc/93/22/92/1360932292.db2.gz DPPISQWJVIJMCZ-OAHLLOKOSA-N 1 3 337.483 2.706 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001399042280 1360953919 /nfs/dbraw/zinc/95/39/19/1360953919.db2.gz WLIGBHMXQRHWGB-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001437234812 1387487632 /nfs/dbraw/zinc/48/76/32/1387487632.db2.gz IKPRAVLSYZLSGA-DOMZBBRYSA-N 1 3 345.409 2.640 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001399214973 1361075955 /nfs/dbraw/zinc/07/59/55/1361075955.db2.gz IFWUDJWUPKAMKG-HIFRSBDPSA-N 1 3 339.430 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001399214973 1361075960 /nfs/dbraw/zinc/07/59/60/1361075960.db2.gz IFWUDJWUPKAMKG-HIFRSBDPSA-N 1 3 339.430 2.558 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001399253297 1361100673 /nfs/dbraw/zinc/10/06/73/1361100673.db2.gz FFBQHMBAUDMFLG-OLZOCXBDSA-N 1 3 348.318 2.807 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001399238236 1361091618 /nfs/dbraw/zinc/09/16/18/1361091618.db2.gz FQBFJHHKOQBQNP-KDOFPFPSSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1F ZINC001399287792 1361128825 /nfs/dbraw/zinc/12/88/25/1361128825.db2.gz KIVJGSLFANIUHW-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1F ZINC001399287762 1361128845 /nfs/dbraw/zinc/12/88/45/1361128845.db2.gz KIVJGSLFANIUHW-GOSISDBHSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001399293742 1361134747 /nfs/dbraw/zinc/13/47/47/1361134747.db2.gz ZQGUSOUOGOWNTB-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001399293742 1361134752 /nfs/dbraw/zinc/13/47/52/1361134752.db2.gz ZQGUSOUOGOWNTB-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399483081 1361265752 /nfs/dbraw/zinc/26/57/52/1361265752.db2.gz MKVXWXRZKOMKMP-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001399483081 1361265755 /nfs/dbraw/zinc/26/57/55/1361265755.db2.gz MKVXWXRZKOMKMP-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001399634060 1361390109 /nfs/dbraw/zinc/39/01/09/1361390109.db2.gz DZQSBRBEBIMOAX-RBUKOAKNSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001399634060 1361390112 /nfs/dbraw/zinc/39/01/12/1361390112.db2.gz DZQSBRBEBIMOAX-RBUKOAKNSA-N 1 3 331.504 2.698 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(F)cc1C ZINC001399733541 1361464002 /nfs/dbraw/zinc/46/40/02/1361464002.db2.gz TXIDXUHUOJQSGN-UHFFFAOYSA-N 1 3 347.478 2.701 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1cccc(Cl)c1 ZINC001399743589 1361472297 /nfs/dbraw/zinc/47/22/97/1361472297.db2.gz MFHMXABONBQFLM-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCC(C)(C)CC1 ZINC001399777264 1361492677 /nfs/dbraw/zinc/49/26/77/1361492677.db2.gz ZQCZBZLZKXZIOF-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)CC1CCC(C)(C)CC1 ZINC001399777264 1361492679 /nfs/dbraw/zinc/49/26/79/1361492679.db2.gz ZQCZBZLZKXZIOF-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC001399874738 1361543263 /nfs/dbraw/zinc/54/32/63/1361543263.db2.gz PRTSVNSDJQNJKV-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC001399874738 1361543265 /nfs/dbraw/zinc/54/32/65/1361543265.db2.gz PRTSVNSDJQNJKV-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001399892167 1361555766 /nfs/dbraw/zinc/55/57/66/1361555766.db2.gz GWEMWMBZFYNTOB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC001399892167 1361555769 /nfs/dbraw/zinc/55/57/69/1361555769.db2.gz GWEMWMBZFYNTOB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001399896646 1361558790 /nfs/dbraw/zinc/55/87/90/1361558790.db2.gz CFFDOSFAMSTSJS-QGZVFWFLSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1csc(C)c1 ZINC001399896646 1361558792 /nfs/dbraw/zinc/55/87/92/1361558792.db2.gz CFFDOSFAMSTSJS-QGZVFWFLSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001399896642 1361559255 /nfs/dbraw/zinc/55/92/55/1361559255.db2.gz CFFDOSFAMSTSJS-KRWDZBQOSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1Cc1csc(C)c1 ZINC001399896642 1361559257 /nfs/dbraw/zinc/55/92/57/1361559257.db2.gz CFFDOSFAMSTSJS-KRWDZBQOSA-N 1 3 337.533 2.869 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909247 1361569610 /nfs/dbraw/zinc/56/96/10/1361569610.db2.gz ICMKJPGUNFREJY-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909247 1361569612 /nfs/dbraw/zinc/56/96/12/1361569612.db2.gz ICMKJPGUNFREJY-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001399916671 1361574624 /nfs/dbraw/zinc/57/46/24/1361574624.db2.gz QVECGDHAAODMFR-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001399916671 1361574627 /nfs/dbraw/zinc/57/46/27/1361574627.db2.gz QVECGDHAAODMFR-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001399954891 1361608580 /nfs/dbraw/zinc/60/85/80/1361608580.db2.gz RMCLNZUTKOKHSP-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001399954891 1361608583 /nfs/dbraw/zinc/60/85/83/1361608583.db2.gz RMCLNZUTKOKHSP-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001400065466 1361708502 /nfs/dbraw/zinc/70/85/02/1361708502.db2.gz DZKRLDACXYZFHS-YJBOKZPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001400065457 1361708996 /nfs/dbraw/zinc/70/89/96/1361708996.db2.gz DZKRLDACXYZFHS-CRAIPNDOSA-N 1 3 335.467 2.667 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001437315870 1387537350 /nfs/dbraw/zinc/53/73/50/1387537350.db2.gz WBOPWKNSZGPLPE-GOSISDBHSA-N 1 3 337.552 2.983 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001400183437 1361823958 /nfs/dbraw/zinc/82/39/58/1361823958.db2.gz KLNLKFNCNTVFSD-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001400183437 1361823962 /nfs/dbraw/zinc/82/39/62/1361823962.db2.gz KLNLKFNCNTVFSD-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2C)C1)N(C)C ZINC001400191714 1361833583 /nfs/dbraw/zinc/83/35/83/1361833583.db2.gz ZYISXIKADZQVHR-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2C)C1)N(C)C ZINC001400191714 1361833590 /nfs/dbraw/zinc/83/35/90/1361833590.db2.gz ZYISXIKADZQVHR-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2F)C1 ZINC001437316680 1387538308 /nfs/dbraw/zinc/53/83/08/1387538308.db2.gz QXCCEIJNCNJLPL-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCc2ccsc2)C1 ZINC001400231683 1361866608 /nfs/dbraw/zinc/86/66/08/1361866608.db2.gz MPDHZITUUSHTOL-QZTJIDSGSA-N 1 3 349.544 2.555 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCc2ccsc2)C1 ZINC001400231683 1361866612 /nfs/dbraw/zinc/86/66/12/1361866612.db2.gz MPDHZITUUSHTOL-QZTJIDSGSA-N 1 3 349.544 2.555 20 0 EFADHO C[N@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400249355 1361884892 /nfs/dbraw/zinc/88/48/92/1361884892.db2.gz FMUOOOJUBGIYFM-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400249355 1361884894 /nfs/dbraw/zinc/88/48/94/1361884894.db2.gz FMUOOOJUBGIYFM-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001400497240 1361998387 /nfs/dbraw/zinc/99/83/87/1361998387.db2.gz CSVUUJBDCUQLNH-FQEVSTJZSA-N 1 3 345.531 2.562 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)C1 ZINC001400506530 1362002753 /nfs/dbraw/zinc/00/27/53/1362002753.db2.gz LAFLQLBUPWXKOW-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001400533925 1362016162 /nfs/dbraw/zinc/01/61/62/1362016162.db2.gz RCBTYMGDMRRXRJ-VQTJNVASSA-N 1 3 343.515 2.698 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001400578692 1362033099 /nfs/dbraw/zinc/03/30/99/1362033099.db2.gz SDFLARKBUZUFGV-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001400642796 1362067024 /nfs/dbraw/zinc/06/70/24/1362067024.db2.gz DYFLJSBSEFWWSK-IBGZPJMESA-N 1 3 329.488 2.562 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001400735616 1362128893 /nfs/dbraw/zinc/12/88/93/1362128893.db2.gz HUPUHFZFASHHCJ-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001400735627 1362129005 /nfs/dbraw/zinc/12/90/05/1362129005.db2.gz HUPUHFZFASHHCJ-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCN(CCCF)C1 ZINC001400745323 1362137408 /nfs/dbraw/zinc/13/74/08/1362137408.db2.gz SRNJVUYBPKCNOF-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)sc1C ZINC001400816347 1362181904 /nfs/dbraw/zinc/18/19/04/1362181904.db2.gz XEJAWRBGAXWZJC-MRXNPFEDSA-N 1 3 337.533 2.834 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc2cccnc21 ZINC001400912036 1362251120 /nfs/dbraw/zinc/25/11/20/1362251120.db2.gz RJAFFBGDQFOIPA-MSOLQXFVSA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1ccns1 ZINC001400930714 1362271868 /nfs/dbraw/zinc/27/18/68/1362271868.db2.gz YHPKTNWPKLAHEX-MRXNPFEDSA-N 1 3 346.500 2.503 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@](C)(C[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC001401053558 1362397748 /nfs/dbraw/zinc/39/77/48/1362397748.db2.gz YTOSHPJTXWPDTK-XOBRGWDASA-N 1 3 340.471 2.896 20 0 EFADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]Cc2ccccn2)CCCC[C@@H]1C ZINC001401054690 1362398403 /nfs/dbraw/zinc/39/84/03/1362398403.db2.gz MHDPBRSDRKMGQO-PXNSSMCTSA-N 1 3 346.519 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC001401091391 1362434386 /nfs/dbraw/zinc/43/43/86/1362434386.db2.gz SGJRCHTYIUOIMI-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001401110469 1362448876 /nfs/dbraw/zinc/44/88/76/1362448876.db2.gz QZABSDLILRUVBT-BEFAXECRSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001401150019 1362486522 /nfs/dbraw/zinc/48/65/22/1362486522.db2.gz YYVAOIZCSWIQNP-CABCVRRESA-N 1 3 328.460 2.672 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001401180755 1362515901 /nfs/dbraw/zinc/51/59/01/1362515901.db2.gz FWMQGNLLQCWMEX-UHFFFAOYSA-N 1 3 336.307 2.666 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C(Cl)=C\Cl)CCCC1 ZINC001401181724 1362516693 /nfs/dbraw/zinc/51/66/93/1362516693.db2.gz GICNPUZYQFVHJB-JWAFFJSPSA-N 1 3 348.318 2.808 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C2CCC2)c1 ZINC001401219968 1362559099 /nfs/dbraw/zinc/55/90/99/1362559099.db2.gz IKZXNEPNMCHTGB-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)Oc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)c1 ZINC001401242991 1362580890 /nfs/dbraw/zinc/58/08/90/1362580890.db2.gz PLCXZZVPHXDROV-VQIMIIECSA-N 1 3 347.503 2.505 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001401246058 1362584782 /nfs/dbraw/zinc/58/47/82/1362584782.db2.gz XOGXEJDHDIXAIL-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001401299077 1362644879 /nfs/dbraw/zinc/64/48/79/1362644879.db2.gz RENGVUMCWJPQMC-RDIIQDETSA-N 1 3 343.943 2.934 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C(C)C)cc1F ZINC001401327907 1362674098 /nfs/dbraw/zinc/67/40/98/1362674098.db2.gz ANLRMEQHQSYWJF-LJQANCHMSA-N 1 3 349.494 2.849 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001401335052 1362680739 /nfs/dbraw/zinc/68/07/39/1362680739.db2.gz BMZIVUYPGKOKHB-ZWKOTPCHSA-N 1 3 337.483 2.642 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)C)N(C)C ZINC001401341306 1362687925 /nfs/dbraw/zinc/68/79/25/1362687925.db2.gz HNQMDUBZKVSDAC-SJORKVTESA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C)N(C)C ZINC001401345004 1362692223 /nfs/dbraw/zinc/69/22/23/1362692223.db2.gz SVDOKJWOCVNLTP-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C)N(C)C ZINC001401345369 1362693740 /nfs/dbraw/zinc/69/37/40/1362693740.db2.gz UZDOALWEMLKCBQ-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401375515 1362726074 /nfs/dbraw/zinc/72/60/74/1362726074.db2.gz LBWHKHUXQDFHDR-LJQANCHMSA-N 1 3 333.520 2.842 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401375515 1362726076 /nfs/dbraw/zinc/72/60/76/1362726076.db2.gz LBWHKHUXQDFHDR-LJQANCHMSA-N 1 3 333.520 2.842 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001401434142 1362800811 /nfs/dbraw/zinc/80/08/11/1362800811.db2.gz TWPLUCABKFRLLL-RTBURBONSA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001401434142 1362800816 /nfs/dbraw/zinc/80/08/16/1362800816.db2.gz TWPLUCABKFRLLL-RTBURBONSA-N 1 3 331.504 2.794 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001437377004 1387592682 /nfs/dbraw/zinc/59/26/82/1387592682.db2.gz ADBYNXXFZPQHHJ-OAHLLOKOSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001401492813 1362884747 /nfs/dbraw/zinc/88/47/47/1362884747.db2.gz NUGUNSNRHIWHBG-AZUAARDMSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001437386376 1387597663 /nfs/dbraw/zinc/59/76/63/1387597663.db2.gz ZPMVKPTTXLQDFW-VDZSZVPASA-N 1 3 329.488 2.669 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001401506951 1362896064 /nfs/dbraw/zinc/89/60/64/1362896064.db2.gz YSKOWXQOBLWILL-MSOLQXFVSA-N 1 3 329.488 2.545 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001401506974 1362896081 /nfs/dbraw/zinc/89/60/81/1362896081.db2.gz YSKOWXQOBLWILL-ZWKOTPCHSA-N 1 3 329.488 2.545 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001401506959 1362896092 /nfs/dbraw/zinc/89/60/92/1362896092.db2.gz YSKOWXQOBLWILL-QZTJIDSGSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001401660731 1363008909 /nfs/dbraw/zinc/00/89/09/1363008909.db2.gz XWECZJFFLMOEJF-CJNGLKHVSA-N 1 3 341.446 2.805 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001401685142 1363024803 /nfs/dbraw/zinc/02/48/03/1363024803.db2.gz IZICSHLYUXGOBL-AWEZNQCLSA-N 1 3 337.895 2.727 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001401715619 1363047905 /nfs/dbraw/zinc/04/79/05/1363047905.db2.gz ADSFTZUZYJQBMY-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001401716675 1363048652 /nfs/dbraw/zinc/04/86/52/1363048652.db2.gz HRJFRBRDPIESHX-HNAYVOBHSA-N 1 3 348.535 2.694 20 0 EFADHO C[C@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401776257 1363114638 /nfs/dbraw/zinc/11/46/38/1363114638.db2.gz CRPNAQHOMJBFOH-RDTXWAMCSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](CN(C)Cc1cc2ccccc2o1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401779868 1363119956 /nfs/dbraw/zinc/11/99/56/1363119956.db2.gz XFCNRCOGZMKNNU-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001401803416 1363151935 /nfs/dbraw/zinc/15/19/35/1363151935.db2.gz PLJULOOIAAZEQO-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001401803416 1363151938 /nfs/dbraw/zinc/15/19/38/1363151938.db2.gz PLJULOOIAAZEQO-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001401815384 1363165640 /nfs/dbraw/zinc/16/56/40/1363165640.db2.gz DSXGDCZQGHRTBG-PKOBYXMFSA-N 1 3 349.494 2.932 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001401839529 1363179016 /nfs/dbraw/zinc/17/90/16/1363179016.db2.gz FVTUOJHHOMGKCY-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CC/C=C\c2ccccc2)CC1 ZINC001401907587 1363232092 /nfs/dbraw/zinc/23/20/92/1363232092.db2.gz UDYFOJXFCLBHTF-JUIXODQZSA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CC1)C1CCC1 ZINC001401948798 1363268101 /nfs/dbraw/zinc/26/81/01/1363268101.db2.gz KFGMLZUCILEAMM-UHFFFAOYSA-N 1 3 341.499 2.787 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ncccc1C ZINC001402033804 1363345271 /nfs/dbraw/zinc/34/52/71/1363345271.db2.gz FIHQGONCIHMHOP-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CN(CC(=O)N(C)C1CC[NH+](CCc2ccccc2)CC1)C1CCC1 ZINC001402038138 1363348635 /nfs/dbraw/zinc/34/86/35/1363348635.db2.gz HYTZFZCPUPODQU-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)CC(C)(C)C ZINC001402064892 1363371516 /nfs/dbraw/zinc/37/15/16/1363371516.db2.gz WJWYQXSASREOJV-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(CC)c1 ZINC001402068782 1363374296 /nfs/dbraw/zinc/37/42/96/1363374296.db2.gz HWXIYQNZEVEFPC-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001402079733 1363382232 /nfs/dbraw/zinc/38/22/32/1363382232.db2.gz RJXXBMPPMXKKAG-INIZCTEOSA-N 1 3 345.478 2.734 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001402085754 1363390043 /nfs/dbraw/zinc/39/00/43/1363390043.db2.gz JSAHKBKYILCQBD-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001402204355 1363515354 /nfs/dbraw/zinc/51/53/54/1363515354.db2.gz DFITYAXKDBUQTD-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CC1(CNC(=O)CCC[NH+]2CCCC2)CCN(C/C=C/Cl)CC1 ZINC001402208531 1363522094 /nfs/dbraw/zinc/52/20/94/1363522094.db2.gz RSDPBXCEPZMOMY-WEVVVXLNSA-N 1 3 341.927 2.833 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001402326222 1363606950 /nfs/dbraw/zinc/60/69/50/1363606950.db2.gz NGULHPCAIUTXEW-CVEARBPZSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402384945 1363642456 /nfs/dbraw/zinc/64/24/56/1363642456.db2.gz CKWWHJOMLTURNE-RQFBLELKSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622427 1363847901 /nfs/dbraw/zinc/84/79/01/1363847901.db2.gz YBDDSLQOZRGYDD-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001402622427 1363847903 /nfs/dbraw/zinc/84/79/03/1363847903.db2.gz YBDDSLQOZRGYDD-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001402633273 1363862531 /nfs/dbraw/zinc/86/25/31/1363862531.db2.gz AZYBXISEVWNJHP-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001402633273 1363862534 /nfs/dbraw/zinc/86/25/34/1363862534.db2.gz AZYBXISEVWNJHP-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccncc1CN(C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001402637897 1363868203 /nfs/dbraw/zinc/86/82/03/1363868203.db2.gz LOCOLAZKTDRDEE-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO Cc1ccncc1CN(C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001402637897 1363868207 /nfs/dbraw/zinc/86/82/07/1363868207.db2.gz LOCOLAZKTDRDEE-LJQANCHMSA-N 1 3 346.519 2.543 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402660770 1363903928 /nfs/dbraw/zinc/90/39/28/1363903928.db2.gz IMNVYNMKXBEMTL-LXPRWKDFSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001402660770 1363903931 /nfs/dbraw/zinc/90/39/31/1363903931.db2.gz IMNVYNMKXBEMTL-LXPRWKDFSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(CC)c2)C1 ZINC001402691207 1363940617 /nfs/dbraw/zinc/94/06/17/1363940617.db2.gz MHCVBYPVLUERSW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001402691207 1363940622 /nfs/dbraw/zinc/94/06/22/1363940622.db2.gz MHCVBYPVLUERSW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C2)CCC1 ZINC001402697759 1363945406 /nfs/dbraw/zinc/94/54/06/1363945406.db2.gz ONZOMTBIPRLAMX-GFAPJHNFSA-N 1 3 348.318 2.618 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001402754297 1364001595 /nfs/dbraw/zinc/00/15/95/1364001595.db2.gz ACCAPAOJUMEWQN-DAWZGUTISA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H](C)C1 ZINC001402799549 1364046373 /nfs/dbraw/zinc/04/63/73/1364046373.db2.gz ZIPSKOMNWMBTRU-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001402822421 1364070233 /nfs/dbraw/zinc/07/02/33/1364070233.db2.gz JCBWYASSUYHQEZ-LBPRGKRZSA-N 1 3 343.924 2.870 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001402839354 1364082800 /nfs/dbraw/zinc/08/28/00/1364082800.db2.gz BDJUPUCEFMUYBJ-KRWDZBQOSA-N 1 3 333.520 2.957 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001437463307 1387666340 /nfs/dbraw/zinc/66/63/40/1387666340.db2.gz NJTPZTKHFPOPHY-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001437463307 1387666342 /nfs/dbraw/zinc/66/63/42/1387666342.db2.gz NJTPZTKHFPOPHY-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001437462981 1387667923 /nfs/dbraw/zinc/66/79/23/1387667923.db2.gz KZVJENJPIRVPNX-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001437462981 1387667928 /nfs/dbraw/zinc/66/79/28/1387667928.db2.gz KZVJENJPIRVPNX-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001403078658 1364281768 /nfs/dbraw/zinc/28/17/68/1364281768.db2.gz ZJLASFNCXVGGCB-QAPCUYQASA-N 1 3 329.488 2.643 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001403133972 1364350019 /nfs/dbraw/zinc/35/00/19/1364350019.db2.gz HKBGYULUDVVRMM-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)cc1 ZINC001403133972 1364350023 /nfs/dbraw/zinc/35/00/23/1364350023.db2.gz HKBGYULUDVVRMM-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001403252990 1364464518 /nfs/dbraw/zinc/46/45/18/1364464518.db2.gz RUXXHGLNYHEPPD-GOSISDBHSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001403283933 1364499223 /nfs/dbraw/zinc/49/92/23/1364499223.db2.gz GLKRKAZIKMCJHW-MOPGFXCFSA-N 1 3 343.515 2.996 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001403292127 1364507754 /nfs/dbraw/zinc/50/77/54/1364507754.db2.gz MDIZPCJKKXELCO-STQMWFEESA-N 1 3 348.318 2.807 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001403314587 1364532000 /nfs/dbraw/zinc/53/20/00/1364532000.db2.gz BHEPAPBGHABQNU-QFBILLFUSA-N 1 3 331.504 2.518 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001403325904 1364543174 /nfs/dbraw/zinc/54/31/74/1364543174.db2.gz YGMJJJBFUDQGQZ-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001403325904 1364543177 /nfs/dbraw/zinc/54/31/77/1364543177.db2.gz YGMJJJBFUDQGQZ-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001403332011 1364548800 /nfs/dbraw/zinc/54/88/00/1364548800.db2.gz VMTWFDDPYYTJDO-YLJYHZDGSA-N 1 3 345.531 2.826 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2c(C)cccc2C)C1 ZINC001403355547 1364566511 /nfs/dbraw/zinc/56/65/11/1364566511.db2.gz QEENCXGJWXMQCQ-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC=C(Cl)Cl ZINC001403443874 1364646827 /nfs/dbraw/zinc/64/68/27/1364646827.db2.gz KCYJPDDOYBZQBH-GFCCVEGCSA-N 1 3 338.323 2.768 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001403480065 1364686257 /nfs/dbraw/zinc/68/62/57/1364686257.db2.gz DIHOECMQCORTBN-WMZOPIPTSA-N 1 3 325.541 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001403480065 1364686262 /nfs/dbraw/zinc/68/62/62/1364686262.db2.gz DIHOECMQCORTBN-WMZOPIPTSA-N 1 3 325.541 2.932 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001403505772 1364712658 /nfs/dbraw/zinc/71/26/58/1364712658.db2.gz CJKPGRSKCHVNEC-IBGZPJMESA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c(C)s1 ZINC001403508963 1364714516 /nfs/dbraw/zinc/71/45/16/1364714516.db2.gz IEYZDPDSVFWRAN-KRWDZBQOSA-N 1 3 346.500 2.657 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001403523827 1364729227 /nfs/dbraw/zinc/72/92/27/1364729227.db2.gz JDZWLSXGZMZWCS-PMACEKPBSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001403579716 1364781044 /nfs/dbraw/zinc/78/10/44/1364781044.db2.gz UOEBBEPJGLXLCU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001403579716 1364781046 /nfs/dbraw/zinc/78/10/46/1364781046.db2.gz UOEBBEPJGLXLCU-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001403610901 1364815293 /nfs/dbraw/zinc/81/52/93/1364815293.db2.gz PYAUWUZWEGULHZ-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001403610901 1364815297 /nfs/dbraw/zinc/81/52/97/1364815297.db2.gz PYAUWUZWEGULHZ-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001403644182 1364846260 /nfs/dbraw/zinc/84/62/60/1364846260.db2.gz VUEVSDJOMIQUJL-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC[C@H](C(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001403687204 1364865107 /nfs/dbraw/zinc/86/51/07/1364865107.db2.gz XWPPURHFIMSHBI-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001403757969 1364907086 /nfs/dbraw/zinc/90/70/86/1364907086.db2.gz RNOCBPJHDRLXKI-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001403786535 1364938223 /nfs/dbraw/zinc/93/82/23/1364938223.db2.gz JXNKOLBQSJKCOL-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001403786535 1364938227 /nfs/dbraw/zinc/93/82/27/1364938227.db2.gz JXNKOLBQSJKCOL-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CN(CCNC(=O)CC[NH+]1CCCCC1)Cc1ccccc1C1CC1 ZINC001403791215 1364943393 /nfs/dbraw/zinc/94/33/93/1364943393.db2.gz YCPKJKMIICNHLZ-UHFFFAOYSA-N 1 3 343.515 2.988 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001403807967 1364961815 /nfs/dbraw/zinc/96/18/15/1364961815.db2.gz VMGMQACQFYXEFZ-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(CF)cc2)[C@@H]1C ZINC001403807967 1364961821 /nfs/dbraw/zinc/96/18/21/1364961821.db2.gz VMGMQACQFYXEFZ-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCc2c1cccc2F ZINC001403915947 1365038796 /nfs/dbraw/zinc/03/87/96/1365038796.db2.gz UQKXOTMJNDDJDK-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCc2c1cccc2F ZINC001403915947 1365038800 /nfs/dbraw/zinc/03/88/00/1365038800.db2.gz UQKXOTMJNDDJDK-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1C ZINC001403940358 1365074754 /nfs/dbraw/zinc/07/47/54/1365074754.db2.gz OTPIGWRJHSORMT-INIZCTEOSA-N 1 3 337.895 2.538 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1C ZINC001403940358 1365074758 /nfs/dbraw/zinc/07/47/58/1365074758.db2.gz OTPIGWRJHSORMT-INIZCTEOSA-N 1 3 337.895 2.538 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1C ZINC001403948867 1365090899 /nfs/dbraw/zinc/09/08/99/1365090899.db2.gz KRCZUSDABFSSLT-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1C ZINC001403948867 1365090904 /nfs/dbraw/zinc/09/09/04/1365090904.db2.gz KRCZUSDABFSSLT-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)Cc2ccc(C(F)F)cc2)C1 ZINC001437516312 1387719111 /nfs/dbraw/zinc/71/91/11/1387719111.db2.gz JKACLPPNADUVSI-CQSZACIVSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2ccc(C(F)F)cc2)C1 ZINC001437516312 1387719114 /nfs/dbraw/zinc/71/91/14/1387719114.db2.gz JKACLPPNADUVSI-CQSZACIVSA-N 1 3 339.430 2.514 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001404016104 1365171058 /nfs/dbraw/zinc/17/10/58/1365171058.db2.gz JNNOWYFYXFBKCA-JFIBYHEFSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001404019015 1365173748 /nfs/dbraw/zinc/17/37/48/1365173748.db2.gz DNDYMQFCDJECHU-UHFFFAOYSA-N 1 3 347.478 2.697 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090457 1365250728 /nfs/dbraw/zinc/25/07/28/1365250728.db2.gz RTGSHUZXHNQEMJ-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404090457 1365250729 /nfs/dbraw/zinc/25/07/29/1365250729.db2.gz RTGSHUZXHNQEMJ-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001404247286 1365391006 /nfs/dbraw/zinc/39/10/06/1365391006.db2.gz WZKRAWQKQYPVEY-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccccc1C[N@@H+](CCNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001404247286 1365391011 /nfs/dbraw/zinc/39/10/11/1365391011.db2.gz WZKRAWQKQYPVEY-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001404505851 1365608532 /nfs/dbraw/zinc/60/85/32/1365608532.db2.gz AHHHASUFADIYGU-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001404505851 1365608534 /nfs/dbraw/zinc/60/85/34/1365608534.db2.gz AHHHASUFADIYGU-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001404534665 1365635522 /nfs/dbraw/zinc/63/55/22/1365635522.db2.gz RJNRCHYHUHNHOD-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1)N(C)C ZINC001404534665 1365635527 /nfs/dbraw/zinc/63/55/27/1365635527.db2.gz RJNRCHYHUHNHOD-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001437552646 1387757305 /nfs/dbraw/zinc/75/73/05/1387757305.db2.gz XLSHRLFPBDHXOB-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC001437552646 1387757307 /nfs/dbraw/zinc/75/73/07/1387757307.db2.gz XLSHRLFPBDHXOB-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001404608558 1365709635 /nfs/dbraw/zinc/70/96/35/1365709635.db2.gz HZOMPEDZOAYUFB-COKXLDBZSA-N 1 3 349.906 2.895 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2C[NH+](CCC3CCCCCC3)C2)C1 ZINC001404898821 1365891366 /nfs/dbraw/zinc/89/13/66/1365891366.db2.gz ARVPYKGSMSHNJA-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)c(F)c1 ZINC001405350330 1366157416 /nfs/dbraw/zinc/15/74/16/1366157416.db2.gz DKWLBLFJZKYTKL-INIZCTEOSA-N 1 3 335.467 2.603 20 0 EFADHO CN(CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCC1)C1CCC1 ZINC001405395782 1366175100 /nfs/dbraw/zinc/17/51/00/1366175100.db2.gz ZCKDGTWXURRLDY-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@](C)(CNCc2ccccc2F)C2CC2)CC1 ZINC001405474274 1366225989 /nfs/dbraw/zinc/22/59/89/1366225989.db2.gz RXHZYSBNEAJQAC-HXUWFJFHSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@]1(C[NH2+]CC2CCC2)CCCC[C@H]1C ZINC001405477044 1366228189 /nfs/dbraw/zinc/22/81/89/1366228189.db2.gz QMJUUJIAQVKDFW-KUHUBIRLSA-N 1 3 332.492 2.715 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001405559841 1366296029 /nfs/dbraw/zinc/29/60/29/1366296029.db2.gz TWCONFPXYZITGA-GOSISDBHSA-N 1 3 343.515 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001405593748 1366309633 /nfs/dbraw/zinc/30/96/33/1366309633.db2.gz CICNLZBSTZHFBY-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001405664815 1366327920 /nfs/dbraw/zinc/32/79/20/1366327920.db2.gz GPHYVIRZWWXZKK-DOMZBBRYSA-N 1 3 345.940 2.830 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001405667220 1366328395 /nfs/dbraw/zinc/32/83/95/1366328395.db2.gz JAELEOIGYCJQMS-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001405671449 1366329847 /nfs/dbraw/zinc/32/98/47/1366329847.db2.gz FIWQNPURFPEIGM-MAUKXSAKSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001405743601 1366378857 /nfs/dbraw/zinc/37/88/57/1366378857.db2.gz YIJIGTWPOFULRX-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001405743608 1366379070 /nfs/dbraw/zinc/37/90/70/1366379070.db2.gz YIJIGTWPOFULRX-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1cc(C)cc(C)c1 ZINC001437596221 1387806405 /nfs/dbraw/zinc/80/64/05/1387806405.db2.gz BRQPSRHJIGYMBQ-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1cc(C)cc(C)c1 ZINC001437596221 1387806411 /nfs/dbraw/zinc/80/64/11/1387806411.db2.gz BRQPSRHJIGYMBQ-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC1CC(C[NH+]2CC3(C2)CCN(C(=O)CN(C)CC(C)(C)C)CC3)C1 ZINC001405797452 1366422018 /nfs/dbraw/zinc/42/20/18/1366422018.db2.gz YEQUKTBNLPXMFH-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C(=O)C1(N(C)C)CCC1 ZINC001405838858 1366452581 /nfs/dbraw/zinc/45/25/81/1366452581.db2.gz VXUGSQGHMSSXKT-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001405883732 1366489889 /nfs/dbraw/zinc/48/98/89/1366489889.db2.gz FEUCVHLJUXXZRB-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001405891669 1366497561 /nfs/dbraw/zinc/49/75/61/1366497561.db2.gz NOGZRRBNONWGNB-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1)C1CCC1 ZINC001405977432 1367040303 /nfs/dbraw/zinc/04/03/03/1367040303.db2.gz XLPMQSPCFMBSMW-WMZJFQQLSA-N 1 3 341.927 2.784 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)C/C=C\Cl)CC1)C1CCC1 ZINC001405977432 1367040310 /nfs/dbraw/zinc/04/03/10/1367040310.db2.gz XLPMQSPCFMBSMW-WMZJFQQLSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CCCCCC1)C(C)C ZINC001406066358 1367171892 /nfs/dbraw/zinc/17/18/92/1367171892.db2.gz NBEUROXPAYOVPA-SFHVURJKSA-N 1 3 334.508 2.961 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001406105199 1367235380 /nfs/dbraw/zinc/23/53/80/1367235380.db2.gz JPCDEYRZBAOXDN-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001406105199 1367235386 /nfs/dbraw/zinc/23/53/86/1367235386.db2.gz JPCDEYRZBAOXDN-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c(C)c1 ZINC001406116057 1367254119 /nfs/dbraw/zinc/25/41/19/1367254119.db2.gz SDMKZJWBZHFGBO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c(C)c1 ZINC001406116057 1367254124 /nfs/dbraw/zinc/25/41/24/1367254124.db2.gz SDMKZJWBZHFGBO-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001406133805 1367292112 /nfs/dbraw/zinc/29/21/12/1367292112.db2.gz MPXHHJCAOGXJFN-HNNXBMFYSA-N 1 3 335.467 2.619 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001406325422 1367484779 /nfs/dbraw/zinc/48/47/79/1367484779.db2.gz KVLGRCVXEOCIJH-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001406370800 1367531139 /nfs/dbraw/zinc/53/11/39/1367531139.db2.gz YEGDKXMQPDKSPF-MRXNPFEDSA-N 1 3 331.504 2.889 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001406563422 1367730762 /nfs/dbraw/zinc/73/07/62/1367730762.db2.gz PHIMFSWVLYUKCK-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1ccc(F)c(F)c1)NC(=O)CCC[NH+](C)C ZINC001406646991 1367860304 /nfs/dbraw/zinc/86/03/04/1367860304.db2.gz HGFWLJKANVRUSH-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001406701690 1367947878 /nfs/dbraw/zinc/94/78/78/1367947878.db2.gz WQDOLIXZTZKQOG-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001406701690 1367947881 /nfs/dbraw/zinc/94/78/81/1367947881.db2.gz WQDOLIXZTZKQOG-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CN(C)C2CCC2)C2CC2)cc1F ZINC001406783064 1368044339 /nfs/dbraw/zinc/04/43/39/1368044339.db2.gz SEKRIEOMDGIXPP-LJQANCHMSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C1CC1 ZINC001406783459 1368046336 /nfs/dbraw/zinc/04/63/36/1368046336.db2.gz JEUUFGLDKZLABU-OALUTQOASA-N 1 3 347.478 2.639 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1)C1CCC1 ZINC001406945109 1368234170 /nfs/dbraw/zinc/23/41/70/1368234170.db2.gz PNEQMSGEGJSLAI-UHFFFAOYSA-N 1 3 335.879 2.563 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1CNCc1ccccc1F ZINC001407105563 1368431484 /nfs/dbraw/zinc/43/14/84/1368431484.db2.gz DVWKNNYKTCRPIT-SFHVURJKSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001407242216 1368637843 /nfs/dbraw/zinc/63/78/43/1368637843.db2.gz UMWVGQJXQZEZPY-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001407243156 1368639057 /nfs/dbraw/zinc/63/90/57/1368639057.db2.gz UCDXYLIXMROCAB-PZJWPPBQSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)cc2)C1 ZINC001407267928 1368678027 /nfs/dbraw/zinc/67/80/27/1368678027.db2.gz OZCRJSRZIADUCO-HXUWFJFHSA-N 1 3 331.504 2.665 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001437710660 1387957680 /nfs/dbraw/zinc/95/76/80/1387957680.db2.gz DMVSXDCTKUCLQV-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001437710660 1387957683 /nfs/dbraw/zinc/95/76/83/1387957683.db2.gz DMVSXDCTKUCLQV-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001437719033 1387966403 /nfs/dbraw/zinc/96/64/03/1387966403.db2.gz ULSUVQOXQDOJHH-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001437719033 1387966405 /nfs/dbraw/zinc/96/64/05/1387966405.db2.gz ULSUVQOXQDOJHH-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001437725684 1387974422 /nfs/dbraw/zinc/97/44/22/1387974422.db2.gz WEKZATINAXNTCO-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001407872624 1369332918 /nfs/dbraw/zinc/33/29/18/1369332918.db2.gz GCBRGSRPCXEHIA-UXHICEINSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001407872624 1369332921 /nfs/dbraw/zinc/33/29/21/1369332921.db2.gz GCBRGSRPCXEHIA-UXHICEINSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001407918111 1369396715 /nfs/dbraw/zinc/39/67/15/1369396715.db2.gz IZUWAUYZPBPERF-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1cccc(CCC[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001407918111 1369396721 /nfs/dbraw/zinc/39/67/21/1369396721.db2.gz IZUWAUYZPBPERF-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001407919308 1369398174 /nfs/dbraw/zinc/39/81/74/1369398174.db2.gz NPBABTACJBJJDE-SSVWKNEZSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001407919308 1369398175 /nfs/dbraw/zinc/39/81/75/1369398175.db2.gz NPBABTACJBJJDE-SSVWKNEZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001407924918 1369408451 /nfs/dbraw/zinc/40/84/51/1369408451.db2.gz VGUIOSKBBKCBGY-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001407924918 1369408454 /nfs/dbraw/zinc/40/84/54/1369408454.db2.gz VGUIOSKBBKCBGY-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001408010538 1369525043 /nfs/dbraw/zinc/52/50/43/1369525043.db2.gz PQKAOCAGZQVGQB-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1C(C)C ZINC001408010538 1369525045 /nfs/dbraw/zinc/52/50/45/1369525045.db2.gz PQKAOCAGZQVGQB-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)N1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001408062573 1369576005 /nfs/dbraw/zinc/57/60/05/1369576005.db2.gz ZCZLCLJRJVROQS-UHFFFAOYSA-N 1 3 329.488 2.759 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC001408094281 1369600948 /nfs/dbraw/zinc/60/09/48/1369600948.db2.gz KHQHTVMFSNPFOU-HKUYNNGSSA-N 1 3 345.531 2.644 20 0 EFADHO CC[N@H+](CC(C)C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001408295046 1369788609 /nfs/dbraw/zinc/78/86/09/1369788609.db2.gz PZJILKUXIMAHKV-GOSISDBHSA-N 1 3 325.541 2.789 20 0 EFADHO CC[N@@H+](CC(C)C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001408295046 1369788614 /nfs/dbraw/zinc/78/86/14/1369788614.db2.gz PZJILKUXIMAHKV-GOSISDBHSA-N 1 3 325.541 2.789 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001413955967 1370027059 /nfs/dbraw/zinc/02/70/59/1370027059.db2.gz MAXGELPFOIPZNP-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001413955961 1370027365 /nfs/dbraw/zinc/02/73/65/1370027365.db2.gz MAXGELPFOIPZNP-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1 ZINC001437812075 1388106759 /nfs/dbraw/zinc/10/67/59/1388106759.db2.gz KSNHLIYTAUNJON-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1cccc(C)c1)C1CC1 ZINC001437812075 1388106762 /nfs/dbraw/zinc/10/67/62/1388106762.db2.gz KSNHLIYTAUNJON-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC001437852233 1388142261 /nfs/dbraw/zinc/14/22/61/1388142261.db2.gz YCRZVXWFBDLGDQ-RTBURBONSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2F)CC1 ZINC001437859633 1388147925 /nfs/dbraw/zinc/14/79/25/1388147925.db2.gz NJXZEXGACTUKQT-MRXNPFEDSA-N 1 3 349.494 2.884 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001417770868 1373234578 /nfs/dbraw/zinc/23/45/78/1373234578.db2.gz UOSISMGFKRHICZ-FFZOFVMBSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001417770870 1373234916 /nfs/dbraw/zinc/23/49/16/1373234916.db2.gz UPBOZXQFBKWFLD-KDURUIRLSA-N 1 3 345.531 2.957 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001417786959 1373252329 /nfs/dbraw/zinc/25/23/29/1373252329.db2.gz OYIOPAZLHWXNDM-BQFCYCMXSA-N 1 3 329.488 2.716 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001417802480 1373272217 /nfs/dbraw/zinc/27/22/17/1373272217.db2.gz YAMKXSBLHVUQAZ-WKILWMFISA-N 1 3 345.478 2.638 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001417942801 1373431758 /nfs/dbraw/zinc/43/17/58/1373431758.db2.gz DFWONOHIVAOCDV-SJLPKXTDSA-N 1 3 329.488 2.588 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001417943779 1373433222 /nfs/dbraw/zinc/43/32/22/1373433222.db2.gz KZZJSBDXVDNHGZ-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001417959813 1373455243 /nfs/dbraw/zinc/45/52/43/1373455243.db2.gz OGRPGCAYJWGEOZ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001417964841 1373464171 /nfs/dbraw/zinc/46/41/71/1373464171.db2.gz SETIVOGOHWOJNQ-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001417980414 1373481602 /nfs/dbraw/zinc/48/16/02/1373481602.db2.gz BFKDMWKMAKTWIX-IBGZPJMESA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001417981518 1373483079 /nfs/dbraw/zinc/48/30/79/1373483079.db2.gz CJGABSXAGAMTBV-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001418042957 1373555343 /nfs/dbraw/zinc/55/53/43/1373555343.db2.gz RUNQSRPASGHPPN-IBGZPJMESA-N 1 3 345.531 2.706 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418060144 1373566809 /nfs/dbraw/zinc/56/68/09/1373566809.db2.gz FDJWOOGXEBNZEL-KBAYOESNSA-N 1 3 329.488 2.777 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1)[NH+](CC)CC ZINC001418064160 1373570474 /nfs/dbraw/zinc/57/04/74/1373570474.db2.gz MCGFQHDUERICAS-BQFCYCMXSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1cc(F)ccc1F ZINC001418064910 1373571270 /nfs/dbraw/zinc/57/12/70/1373571270.db2.gz NMFFRNGYGWKKMO-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C/Cl ZINC001418172333 1373725598 /nfs/dbraw/zinc/72/55/98/1373725598.db2.gz UZMBIKDZEOZFGL-CZPJPAAGSA-N 1 3 341.927 2.926 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C/C=C/Cl ZINC001418172333 1373725601 /nfs/dbraw/zinc/72/56/01/1373725601.db2.gz UZMBIKDZEOZFGL-CZPJPAAGSA-N 1 3 341.927 2.926 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001418175022 1373732853 /nfs/dbraw/zinc/73/28/53/1373732853.db2.gz NJSLTIGARAWRKZ-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001418232283 1373787032 /nfs/dbraw/zinc/78/70/32/1373787032.db2.gz CICUROGYGCGFOX-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001418232284 1373788028 /nfs/dbraw/zinc/78/80/28/1373788028.db2.gz CICUROGYGCGFOX-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001418234450 1373790501 /nfs/dbraw/zinc/79/05/01/1373790501.db2.gz LHEIAIYBBZHSSC-HNNXBMFYSA-N 1 3 346.519 2.592 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001418236020 1373791263 /nfs/dbraw/zinc/79/12/63/1373791263.db2.gz PAQRUEKHFHXANJ-SJLPKXTDSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001418238241 1373793121 /nfs/dbraw/zinc/79/31/21/1373793121.db2.gz VNHTWWLKRLLZAA-OAHLLOKOSA-N 1 3 329.488 2.643 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001418335917 1373914791 /nfs/dbraw/zinc/91/47/91/1373914791.db2.gz LLDLWQHZCBUTMB-XDXAGZTOSA-N 1 3 349.906 2.886 20 0 EFADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cc(F)ccc1Cl ZINC001418393537 1373975040 /nfs/dbraw/zinc/97/50/40/1373975040.db2.gz JAMJSZBDKVTFGS-MLGOLLRUSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001418401675 1373981458 /nfs/dbraw/zinc/98/14/58/1373981458.db2.gz JCBWYASSUYHQEZ-GFCCVEGCSA-N 1 3 343.924 2.870 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001418426695 1374011637 /nfs/dbraw/zinc/01/16/37/1374011637.db2.gz KOUPHMPIWYLDMJ-BEFAXECRSA-N 1 3 342.487 2.559 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001418546775 1374159717 /nfs/dbraw/zinc/15/97/17/1374159717.db2.gz DCPOCTLVSRAVCC-MOPGFXCFSA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001418546775 1374159723 /nfs/dbraw/zinc/15/97/23/1374159723.db2.gz DCPOCTLVSRAVCC-MOPGFXCFSA-N 1 3 349.494 2.837 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)Cc1ccc(F)cc1 ZINC001418558146 1374177569 /nfs/dbraw/zinc/17/75/69/1374177569.db2.gz MSAGYTWUFIUACY-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)Cc1ccc(F)cc1 ZINC001418558146 1374177570 /nfs/dbraw/zinc/17/75/70/1374177570.db2.gz MSAGYTWUFIUACY-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001418584906 1374226866 /nfs/dbraw/zinc/22/68/66/1374226866.db2.gz CFPJOZQBXIYLFB-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]C/C=C/c3ccccc3)C2)CCC1 ZINC001418682582 1374364113 /nfs/dbraw/zinc/36/41/13/1374364113.db2.gz LYTMZSACNOWQAP-UBEPZTMESA-N 1 3 341.499 2.669 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)cs1 ZINC001418684139 1374365277 /nfs/dbraw/zinc/36/52/77/1374365277.db2.gz OWUYQNNMOGTTKJ-KOMQPUFPSA-N 1 3 335.517 2.525 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001418689686 1374372057 /nfs/dbraw/zinc/37/20/57/1374372057.db2.gz NBLOXVKHVMASMI-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001418689686 1374372060 /nfs/dbraw/zinc/37/20/60/1374372060.db2.gz NBLOXVKHVMASMI-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC001418700568 1374386225 /nfs/dbraw/zinc/38/62/25/1374386225.db2.gz HQKOYTOSIWBRNC-LNLFQRSKSA-N 1 3 349.494 2.705 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001438000417 1388314397 /nfs/dbraw/zinc/31/43/97/1388314397.db2.gz URIFXHXPLWKNDQ-WEVVVXLNSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001438000417 1388314399 /nfs/dbraw/zinc/31/43/99/1388314399.db2.gz URIFXHXPLWKNDQ-WEVVVXLNSA-N 1 3 329.916 2.641 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001418706106 1374392968 /nfs/dbraw/zinc/39/29/68/1374392968.db2.gz XJTZDQVEZXQSQD-JCNLHEQBSA-N 1 3 343.471 2.759 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C)[NH+](C)C ZINC001418773224 1374484302 /nfs/dbraw/zinc/48/43/02/1374484302.db2.gz XUAYHHQVTAMMBZ-WDSOQIARSA-N 1 3 331.504 2.599 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C1CC1)[C@@H]1CCc2c1cccc2F ZINC001418787579 1374501553 /nfs/dbraw/zinc/50/15/53/1374501553.db2.gz BXBJJCVAKBAAJO-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C1CC1)[C@@H]1CCc2c1cccc2F ZINC001418787579 1374501557 /nfs/dbraw/zinc/50/15/57/1374501557.db2.gz BXBJJCVAKBAAJO-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418796676 1374513901 /nfs/dbraw/zinc/51/39/01/1374513901.db2.gz KHCBMPWUWKFTJZ-GOEBONIOSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418796676 1374513908 /nfs/dbraw/zinc/51/39/08/1374513908.db2.gz KHCBMPWUWKFTJZ-GOEBONIOSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001438020294 1388323120 /nfs/dbraw/zinc/32/31/20/1388323120.db2.gz GIPMBMKLHZZXTC-QXAKKESOSA-N 1 3 331.504 2.914 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C)c2)C1 ZINC001438022879 1388323406 /nfs/dbraw/zinc/32/34/06/1388323406.db2.gz YGYNBOVLVTZIQJ-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@@H](C)c2cccc(C)c2)C1 ZINC001438022879 1388323413 /nfs/dbraw/zinc/32/34/13/1388323413.db2.gz YGYNBOVLVTZIQJ-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001418914043 1374679594 /nfs/dbraw/zinc/67/95/94/1374679594.db2.gz NJADGMXPJZCXFQ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001418914043 1374679599 /nfs/dbraw/zinc/67/95/99/1374679599.db2.gz NJADGMXPJZCXFQ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001419032087 1374777414 /nfs/dbraw/zinc/77/74/14/1374777414.db2.gz QMQKCYVFYRAZTP-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001419042025 1374785055 /nfs/dbraw/zinc/78/50/55/1374785055.db2.gz MFQOPEKFTPSUPW-VQIMIIECSA-N 1 3 331.504 2.690 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001419042839 1374785732 /nfs/dbraw/zinc/78/57/32/1374785732.db2.gz RBASWKADILIVEO-KRWDZBQOSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2ccccc2C)C1 ZINC001419042839 1374785736 /nfs/dbraw/zinc/78/57/36/1374785736.db2.gz RBASWKADILIVEO-KRWDZBQOSA-N 1 3 331.504 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001419080227 1374820026 /nfs/dbraw/zinc/82/00/26/1374820026.db2.gz DVGJDJONYDWQME-HOJAQTOUSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001419080227 1374820029 /nfs/dbraw/zinc/82/00/29/1374820029.db2.gz DVGJDJONYDWQME-HOJAQTOUSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001419144146 1374891860 /nfs/dbraw/zinc/89/18/60/1374891860.db2.gz YIZQBARFTZBNCQ-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCN(C(=O)CC[N@H+](C)CC)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001419152686 1374902302 /nfs/dbraw/zinc/90/23/02/1374902302.db2.gz CUVVPIZPJTVGCD-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CCN(C(=O)CC[N@@H+](C)CC)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001419152686 1374902304 /nfs/dbraw/zinc/90/23/04/1374902304.db2.gz CUVVPIZPJTVGCD-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)sc1C ZINC001419191596 1374937258 /nfs/dbraw/zinc/93/72/58/1374937258.db2.gz MIZFQBMVWNBXCH-MRXNPFEDSA-N 1 3 337.533 2.834 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC001419254238 1375001134 /nfs/dbraw/zinc/00/11/34/1375001134.db2.gz DCVKNZNFLCAYIJ-MJGOQNOKSA-N 1 3 342.487 2.559 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001419301478 1375062089 /nfs/dbraw/zinc/06/20/89/1375062089.db2.gz DYABDKMUBIMDIJ-MOPGFXCFSA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCC1)N(C)C ZINC001419326140 1375106452 /nfs/dbraw/zinc/10/64/52/1375106452.db2.gz MUCASRNAVPZMMJ-SFHVURJKSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CC[NH+](CC2CCCC2)CC1)N(C)C ZINC001419414249 1375242176 /nfs/dbraw/zinc/24/21/76/1375242176.db2.gz GIPWAYUFIWALGM-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001419429623 1375260555 /nfs/dbraw/zinc/26/05/55/1375260555.db2.gz IGOPDNCDKXAKAS-AIIUMHCMSA-N 1 3 341.499 2.811 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001419429625 1375261034 /nfs/dbraw/zinc/26/10/34/1375261034.db2.gz IGOPDNCDKXAKAS-OSEILGGNSA-N 1 3 341.499 2.811 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001419473762 1375317161 /nfs/dbraw/zinc/31/71/61/1375317161.db2.gz LJURSKHTZYBMPG-UZLBHIALSA-N 1 3 345.531 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001419539826 1375415926 /nfs/dbraw/zinc/41/59/26/1375415926.db2.gz GNXUMCYBVIENLA-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001419539826 1375415930 /nfs/dbraw/zinc/41/59/30/1375415930.db2.gz GNXUMCYBVIENLA-PMACEKPBSA-N 1 3 345.531 2.644 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN(C/C=C\c2ccccc2)C1 ZINC001419554186 1375441859 /nfs/dbraw/zinc/44/18/59/1375441859.db2.gz XNUSGQWFUQLUDZ-QLQLNADESA-N 1 3 343.515 2.870 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccccc2F)CCCC1)N(C)C ZINC001419610738 1375534437 /nfs/dbraw/zinc/53/44/37/1375534437.db2.gz CEVVCSADZBZCPV-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC001419612062 1375538153 /nfs/dbraw/zinc/53/81/53/1375538153.db2.gz QHNKCLLPJQWTBZ-QGZVFWFLSA-N 1 3 337.533 2.869 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001419626659 1375577686 /nfs/dbraw/zinc/57/76/86/1375577686.db2.gz MIXALXHWXURQEV-HYHHROLSSA-N 1 3 341.927 2.832 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](CCCF)C1 ZINC001419631219 1375592798 /nfs/dbraw/zinc/59/27/98/1375592798.db2.gz IQDRMVCXZCJRSO-CVEARBPZSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001419631219 1375592803 /nfs/dbraw/zinc/59/28/03/1375592803.db2.gz IQDRMVCXZCJRSO-CVEARBPZSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001419638271 1375611434 /nfs/dbraw/zinc/61/14/34/1375611434.db2.gz SVRYGVCOXDBSLI-JOTWQWQBSA-N 1 3 341.927 2.688 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001419665693 1375667225 /nfs/dbraw/zinc/66/72/25/1375667225.db2.gz JDAJQEFBIOCJHA-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001419671042 1375679660 /nfs/dbraw/zinc/67/96/60/1375679660.db2.gz JZGQSLAEVIXGBA-UHFFFAOYSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H](CNCc1ccccn1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001419682474 1375706725 /nfs/dbraw/zinc/70/67/25/1375706725.db2.gz BUCHBZDYRSSUAM-KRWDZBQOSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@@H](CNCc1ccccn1)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001419682474 1375706731 /nfs/dbraw/zinc/70/67/31/1375706731.db2.gz BUCHBZDYRSSUAM-KRWDZBQOSA-N 1 3 346.519 2.673 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001419714960 1375760692 /nfs/dbraw/zinc/76/06/92/1375760692.db2.gz FLTSUANELLDYNN-SWLSCSKDSA-N 1 3 345.940 2.924 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1F ZINC001419740312 1375795272 /nfs/dbraw/zinc/79/52/72/1375795272.db2.gz LIKDODDQKFHBFA-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001438208036 1388414112 /nfs/dbraw/zinc/41/41/12/1388414112.db2.gz UTBZRNLGLFVPPS-UHOSZYNNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001438208036 1388414115 /nfs/dbraw/zinc/41/41/15/1388414115.db2.gz UTBZRNLGLFVPPS-UHOSZYNNSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC001419930438 1376146417 /nfs/dbraw/zinc/14/64/17/1376146417.db2.gz WOCFCSDAVRFNIO-KDOFPFPSSA-N 1 3 328.460 2.752 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C2CC2)CCC1 ZINC001419968378 1376206694 /nfs/dbraw/zinc/20/66/94/1376206694.db2.gz WDXFXZBNEXVMSO-UHFFFAOYSA-N 1 3 343.515 2.939 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C2CC2)CCC1 ZINC001419968378 1376206698 /nfs/dbraw/zinc/20/66/98/1376206698.db2.gz WDXFXZBNEXVMSO-UHFFFAOYSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001419974396 1376216040 /nfs/dbraw/zinc/21/60/40/1376216040.db2.gz LESNFHVKASWFPL-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001420017676 1376289338 /nfs/dbraw/zinc/28/93/38/1376289338.db2.gz IVDDYCKCDWPAHL-IRXDYDNUSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@@H]1CCc2ccc(F)cc21)[NH+](C)C ZINC001420038562 1376342972 /nfs/dbraw/zinc/34/29/72/1376342972.db2.gz KWZMLBZJTUWSDZ-RTBURBONSA-N 1 3 349.494 2.789 20 0 EFADHO CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001420039669 1376350051 /nfs/dbraw/zinc/35/00/51/1376350051.db2.gz SFSVIGHVNMCQDI-QZTJIDSGSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001420039669 1376350059 /nfs/dbraw/zinc/35/00/59/1376350059.db2.gz SFSVIGHVNMCQDI-QZTJIDSGSA-N 1 3 325.541 2.932 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCN1C ZINC001420068691 1376413396 /nfs/dbraw/zinc/41/33/96/1376413396.db2.gz POOMQXSYTRVKQK-RHSMWYFYSA-N 1 3 337.895 2.727 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001420089856 1376445754 /nfs/dbraw/zinc/44/57/54/1376445754.db2.gz CSLHREVGWRKWRA-CYBMUJFWSA-N 1 3 337.533 2.834 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001420230432 1376584795 /nfs/dbraw/zinc/58/47/95/1376584795.db2.gz CTVYRPOUJXUNGU-RTBURBONSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)[C@@H](C(=O)NCCN(C)Cc1cccc(C(F)F)c1)[NH+](C)C ZINC001420247488 1376610866 /nfs/dbraw/zinc/61/08/66/1376610866.db2.gz DOZIKZRWSAOKOL-INIZCTEOSA-N 1 3 341.446 2.758 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420298093 1376688048 /nfs/dbraw/zinc/68/80/48/1376688048.db2.gz GVOMGERJYZLYMR-KUHUBIRLSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)C12CCC[NH+]1CCC2 ZINC001420307698 1376705816 /nfs/dbraw/zinc/70/58/16/1376705816.db2.gz IVLVDITUTGVDMB-OAHLLOKOSA-N 1 3 341.455 2.656 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001420337134 1376759273 /nfs/dbraw/zinc/75/92/73/1376759273.db2.gz AENDCJGXTAPSOR-HXUWFJFHSA-N 1 3 341.499 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001420358985 1376800734 /nfs/dbraw/zinc/80/07/34/1376800734.db2.gz QWDPZIPBGMMIAA-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001420358985 1376800743 /nfs/dbraw/zinc/80/07/43/1376800743.db2.gz QWDPZIPBGMMIAA-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001420428530 1376949688 /nfs/dbraw/zinc/94/96/88/1376949688.db2.gz VEJSLXZSGJGFTG-SNRMKQJTSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)cs1 ZINC001420498922 1377086572 /nfs/dbraw/zinc/08/65/72/1377086572.db2.gz ISUUTORPPWEICS-GOSISDBHSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001420505545 1377096827 /nfs/dbraw/zinc/09/68/27/1377096827.db2.gz WSZBMCAFLSTYSR-SUMWQHHRSA-N 1 3 337.895 2.763 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001420539145 1377154603 /nfs/dbraw/zinc/15/46/03/1377154603.db2.gz PWGGDUSDCSAYGB-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001420550786 1377177127 /nfs/dbraw/zinc/17/71/27/1377177127.db2.gz GTTXNJLQKZXWFY-KRWDZBQOSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001420550786 1377177128 /nfs/dbraw/zinc/17/71/28/1377177128.db2.gz GTTXNJLQKZXWFY-KRWDZBQOSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001420554569 1377184347 /nfs/dbraw/zinc/18/43/47/1377184347.db2.gz NMCLYPIFNDPGNQ-DLBZAZTESA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001420554569 1377184350 /nfs/dbraw/zinc/18/43/50/1377184350.db2.gz NMCLYPIFNDPGNQ-DLBZAZTESA-N 1 3 340.471 2.768 20 0 EFADHO C[C@H](C[N@H+](C)CCCc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001420581746 1377246396 /nfs/dbraw/zinc/24/63/96/1377246396.db2.gz AEXCCMZOPSTZSY-OAHLLOKOSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@H](C[N@@H+](C)CCCc1ccsc1)NC(=O)C1(N(C)C)CCC1 ZINC001420581746 1377246404 /nfs/dbraw/zinc/24/64/04/1377246404.db2.gz AEXCCMZOPSTZSY-OAHLLOKOSA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001438310777 1388499741 /nfs/dbraw/zinc/49/97/41/1388499741.db2.gz GRIWXDIJPYAILM-INIZCTEOSA-N 1 3 343.471 2.902 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001420868724 1377805689 /nfs/dbraw/zinc/80/56/89/1377805689.db2.gz ZPYBCCNOFBVFGH-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001420868724 1377805691 /nfs/dbraw/zinc/80/56/91/1377805691.db2.gz ZPYBCCNOFBVFGH-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001420897038 1377854365 /nfs/dbraw/zinc/85/43/65/1377854365.db2.gz UFDXZTUUCPUFNM-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001420897038 1377854370 /nfs/dbraw/zinc/85/43/70/1377854370.db2.gz UFDXZTUUCPUFNM-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420940233 1377912810 /nfs/dbraw/zinc/91/28/10/1377912810.db2.gz ONJWTRKGCUIRGO-HFTQHKIXSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420940233 1377912816 /nfs/dbraw/zinc/91/28/16/1377912816.db2.gz ONJWTRKGCUIRGO-HFTQHKIXSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001420952607 1377931666 /nfs/dbraw/zinc/93/16/66/1377931666.db2.gz KWRSQSPBGLSXIJ-IBGZPJMESA-N 1 3 343.515 2.916 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1)CC(C)(C)C ZINC001420975397 1377962552 /nfs/dbraw/zinc/96/25/52/1377962552.db2.gz HSZKELNHFNGGFJ-FLIBITNWSA-N 1 3 343.515 2.916 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@]2(CCN(Cc3ccccc3F)C2)C1 ZINC001421037569 1378054721 /nfs/dbraw/zinc/05/47/21/1378054721.db2.gz JCCQWRHFDVZFAN-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@@H]1C[C@H](NC/C(Cl)=C\Cl)CCN1C(=O)CCC[NH+](C)C ZINC001421098721 1378123126 /nfs/dbraw/zinc/12/31/26/1378123126.db2.gz DYLMCWBRGTZWOB-AOSXOHOOSA-N 1 3 336.307 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001421099977 1378124856 /nfs/dbraw/zinc/12/48/56/1378124856.db2.gz GWHXTQDJBZXWOA-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccn2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421099190 1378125298 /nfs/dbraw/zinc/12/52/98/1378125298.db2.gz FYOOFTWCUDSDAZ-IRXDYDNUSA-N 1 3 346.519 2.529 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC(CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001421135527 1378166156 /nfs/dbraw/zinc/16/61/56/1378166156.db2.gz FDMOFSLNAWMXRJ-MRXNPFEDSA-N 1 3 329.488 2.588 20 0 EFADHO CCc1ccccc1C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001421156565 1378198288 /nfs/dbraw/zinc/19/82/88/1378198288.db2.gz QWJCWINBRHFEDZ-UHFFFAOYSA-N 1 3 345.531 2.775 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C2CCCC2)CCC1 ZINC001421163800 1378210378 /nfs/dbraw/zinc/21/03/78/1378210378.db2.gz CVUZHBUMVSIGJJ-IBGZPJMESA-N 1 3 343.515 2.936 20 0 EFADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001421184617 1378245327 /nfs/dbraw/zinc/24/53/27/1378245327.db2.gz SZDDCICXLWHIEW-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001421256239 1378358824 /nfs/dbraw/zinc/35/88/24/1378358824.db2.gz MWZRJJJZJJQWJK-UZLBHIALSA-N 1 3 340.471 2.850 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001421256227 1378358899 /nfs/dbraw/zinc/35/88/99/1378358899.db2.gz MWZRJJJZJJQWJK-OXJNMPFZSA-N 1 3 340.471 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001421293809 1378447332 /nfs/dbraw/zinc/44/73/32/1378447332.db2.gz UWZRJESDHCLDHB-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001421293809 1378447338 /nfs/dbraw/zinc/44/73/38/1378447338.db2.gz UWZRJESDHCLDHB-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421369530 1378552675 /nfs/dbraw/zinc/55/26/75/1378552675.db2.gz LZBMUAOMQUWFSH-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC1CC(C[NH+]2CCC(CCNC(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001421635603 1378920550 /nfs/dbraw/zinc/92/05/50/1378920550.db2.gz WOUYUJAMEIXGBH-LRYGQEGESA-N 1 3 335.536 2.593 20 0 EFADHO C[NH+](C)CCCC(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001421637729 1378923519 /nfs/dbraw/zinc/92/35/19/1378923519.db2.gz LQCBMRWAXJIJPT-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001421698505 1379006693 /nfs/dbraw/zinc/00/66/93/1379006693.db2.gz HQYXNMSPULSFLK-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCCC1 ZINC001421848161 1379234002 /nfs/dbraw/zinc/23/40/02/1379234002.db2.gz JLGUOAMZCSUVOP-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CN(CCC[N@H+](C)CCc1ccccc1Cl)C(=O)Cc1c[nH]cn1 ZINC001421895891 1379320769 /nfs/dbraw/zinc/32/07/69/1379320769.db2.gz YIQATIYPWLHWAJ-UHFFFAOYSA-N 1 3 348.878 2.629 20 0 EFADHO CN(CCC[N@@H+](C)CCc1ccccc1Cl)C(=O)Cc1c[nH]cn1 ZINC001421895891 1379320771 /nfs/dbraw/zinc/32/07/71/1379320771.db2.gz YIQATIYPWLHWAJ-UHFFFAOYSA-N 1 3 348.878 2.629 20 0 EFADHO C[C@H]([NH2+]C[C@H](C)N(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001421898679 1379324916 /nfs/dbraw/zinc/32/49/16/1379324916.db2.gz CDRJOUVOTNNVAQ-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001421955301 1379405266 /nfs/dbraw/zinc/40/52/66/1379405266.db2.gz FEQBPLBYZAMCNE-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001421955301 1379405270 /nfs/dbraw/zinc/40/52/70/1379405270.db2.gz FEQBPLBYZAMCNE-LJQANCHMSA-N 1 3 331.504 2.527 20 0 EFADHO CN(C)C1(C(=O)NCc2ccc3c(c2)C[N@@H+](CCC2CC2)C3)CCC1 ZINC001422010954 1379477525 /nfs/dbraw/zinc/47/75/25/1379477525.db2.gz NSTBCFJQNCGBQC-UHFFFAOYSA-N 1 3 341.499 2.903 20 0 EFADHO CN(C)C1(C(=O)NCc2ccc3c(c2)C[N@H+](CCC2CC2)C3)CCC1 ZINC001422010954 1379477527 /nfs/dbraw/zinc/47/75/27/1379477527.db2.gz NSTBCFJQNCGBQC-UHFFFAOYSA-N 1 3 341.499 2.903 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cccc(F)c1 ZINC001422134182 1379665680 /nfs/dbraw/zinc/66/56/80/1379665680.db2.gz VOOHOFYWRMKOIL-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001422153943 1379694584 /nfs/dbraw/zinc/69/45/84/1379694584.db2.gz VVIVAHFSVQTKHG-MSOLQXFVSA-N 1 3 335.467 2.761 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001422153943 1379694588 /nfs/dbraw/zinc/69/45/88/1379694588.db2.gz VVIVAHFSVQTKHG-MSOLQXFVSA-N 1 3 335.467 2.761 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F)N(C)C ZINC001422159700 1379701902 /nfs/dbraw/zinc/70/19/02/1379701902.db2.gz KOWOFRRBILXGNU-DCGLDWPTSA-N 1 3 341.446 2.850 20 0 EFADHO CC1CC[NH+](CC[C@@H]2CCCN2CCC(=O)N2CCCCC2)CC1 ZINC001422161050 1379704375 /nfs/dbraw/zinc/70/43/75/1379704375.db2.gz MLEJPNWZXRGOBN-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CC1CCN(CC[C@@H]2CCC[N@@H+]2CCC(=O)N2CCCCC2)CC1 ZINC001422161050 1379704382 /nfs/dbraw/zinc/70/43/82/1379704382.db2.gz MLEJPNWZXRGOBN-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CC1CCN(CC[C@@H]2CCC[N@H+]2CCC(=O)N2CCCCC2)CC1 ZINC001422161050 1379704387 /nfs/dbraw/zinc/70/43/87/1379704387.db2.gz MLEJPNWZXRGOBN-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001422169533 1379717893 /nfs/dbraw/zinc/71/78/93/1379717893.db2.gz OBWJRWIFIQZOMO-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001422169533 1379717899 /nfs/dbraw/zinc/71/78/99/1379717899.db2.gz OBWJRWIFIQZOMO-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO CC(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001422178176 1379733584 /nfs/dbraw/zinc/73/35/84/1379733584.db2.gz NXAMTTLFDSVPHG-PMACEKPBSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001422178176 1379733586 /nfs/dbraw/zinc/73/35/86/1379733586.db2.gz NXAMTTLFDSVPHG-PMACEKPBSA-N 1 3 345.531 2.944 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001422200237 1379760899 /nfs/dbraw/zinc/76/08/99/1379760899.db2.gz NMSZLBXBXIHPMB-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001422200237 1379760900 /nfs/dbraw/zinc/76/09/00/1379760900.db2.gz NMSZLBXBXIHPMB-UHFFFAOYSA-N 1 3 333.520 2.863 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1C ZINC001422202350 1379764391 /nfs/dbraw/zinc/76/43/91/1379764391.db2.gz VWWAUKUUXCEBDO-MRXNPFEDSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001422202350 1379764393 /nfs/dbraw/zinc/76/43/93/1379764393.db2.gz VWWAUKUUXCEBDO-MRXNPFEDSA-N 1 3 331.504 2.535 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422215421 1379787632 /nfs/dbraw/zinc/78/76/32/1379787632.db2.gz BXESGFSGRUQRRZ-SFHVURJKSA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001422215421 1379787637 /nfs/dbraw/zinc/78/76/37/1379787637.db2.gz BXESGFSGRUQRRZ-SFHVURJKSA-N 1 3 325.541 2.791 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC001422449843 1380120307 /nfs/dbraw/zinc/12/03/07/1380120307.db2.gz URGSCOCHZWCSPW-LSDHHAIUSA-N 1 3 328.460 2.815 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)CC(C)(C)C[NH2+]CC2CC2)c1 ZINC001422475831 1380166664 /nfs/dbraw/zinc/16/66/64/1380166664.db2.gz UBWWVUGTUUECMD-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001422492343 1380194930 /nfs/dbraw/zinc/19/49/30/1380194930.db2.gz PQUIHUAQSQBWLB-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(C(F)F)c1)NC(=O)CN(C)C1CCC1 ZINC001422507094 1380220319 /nfs/dbraw/zinc/22/03/19/1380220319.db2.gz VPBPLJDDPLDKLR-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001422522497 1380248715 /nfs/dbraw/zinc/24/87/15/1380248715.db2.gz HGCRWURWXGNTDC-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001422522497 1380248716 /nfs/dbraw/zinc/24/87/16/1380248716.db2.gz HGCRWURWXGNTDC-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@@H](C)c1cccc(F)c1 ZINC001422525623 1380254428 /nfs/dbraw/zinc/25/44/28/1380254428.db2.gz FPXZKOHIJRXNRP-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(CN(C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001422551197 1380304203 /nfs/dbraw/zinc/30/42/03/1380304203.db2.gz KRZCOYFJJJUSKF-CYBMUJFWSA-N 1 3 337.533 2.643 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422557155 1380316613 /nfs/dbraw/zinc/31/66/13/1380316613.db2.gz AYLXBGCFMMXCBA-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422557155 1380316619 /nfs/dbraw/zinc/31/66/19/1380316619.db2.gz AYLXBGCFMMXCBA-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001422696923 1380622583 /nfs/dbraw/zinc/62/25/83/1380622583.db2.gz ODQYDOPYGSUGCE-MKBNYLNASA-N 1 3 343.874 2.975 20 0 EFADHO COCc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC001422731546 1380729329 /nfs/dbraw/zinc/72/93/29/1380729329.db2.gz CVAKSOIHQLZRQN-WOJBJXKFSA-N 1 3 332.488 2.691 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001422751036 1380755404 /nfs/dbraw/zinc/75/54/04/1380755404.db2.gz ANMPUKKCZCGDHC-SJORKVTESA-N 1 3 331.504 2.834 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001422757323 1380766055 /nfs/dbraw/zinc/76/60/55/1380766055.db2.gz GDPIBAUHHLWCQL-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CN(CCc2cccs2)C1 ZINC001422760272 1380768566 /nfs/dbraw/zinc/76/85/66/1380768566.db2.gz LOMVLBYILVVGPK-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001422832608 1380881094 /nfs/dbraw/zinc/88/10/94/1380881094.db2.gz ZNDCQNXIQPFWGF-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)N(C)C ZINC001438598653 1388690015 /nfs/dbraw/zinc/69/00/15/1388690015.db2.gz VLEATUXBDFOVHD-SFHVURJKSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001422886147 1381006316 /nfs/dbraw/zinc/00/63/16/1381006316.db2.gz NXGMCDAGWSKTOP-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2F)CCCC1)N(C)C ZINC001438605683 1388693099 /nfs/dbraw/zinc/69/30/99/1388693099.db2.gz CEVVCSADZBZCPV-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001422906717 1381033640 /nfs/dbraw/zinc/03/36/40/1381033640.db2.gz GUDOQPSAYWWUJH-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001422906717 1381033646 /nfs/dbraw/zinc/03/36/46/1381033646.db2.gz GUDOQPSAYWWUJH-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422926945 1381072019 /nfs/dbraw/zinc/07/20/19/1381072019.db2.gz ZZQMZKKGXZBRKZ-GEZBDVBVSA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422926945 1381072025 /nfs/dbraw/zinc/07/20/25/1381072025.db2.gz ZZQMZKKGXZBRKZ-GEZBDVBVSA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422926947 1381072407 /nfs/dbraw/zinc/07/24/07/1381072407.db2.gz ZZQMZKKGXZBRKZ-MEMKZHQFSA-N 1 3 327.900 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422926947 1381072412 /nfs/dbraw/zinc/07/24/12/1381072412.db2.gz ZZQMZKKGXZBRKZ-MEMKZHQFSA-N 1 3 327.900 2.536 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001423100403 1381346995 /nfs/dbraw/zinc/34/69/95/1381346995.db2.gz CCZSICBNCIMLGN-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001423100906 1381348606 /nfs/dbraw/zinc/34/86/06/1381348606.db2.gz LJEKPWKFBRLDQY-LSDHHAIUSA-N 1 3 325.497 2.658 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001423101683 1381350482 /nfs/dbraw/zinc/35/04/82/1381350482.db2.gz GBKXCWALJAEPCL-CXAGYDPISA-N 1 3 339.549 2.888 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001423112908 1381371184 /nfs/dbraw/zinc/37/11/84/1381371184.db2.gz NFALRNJXXVXDII-ZWKOTPCHSA-N 1 3 329.488 2.670 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC001423160785 1381473179 /nfs/dbraw/zinc/47/31/79/1381473179.db2.gz QEHJXCUBDAJXJZ-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001423196934 1381555275 /nfs/dbraw/zinc/55/52/75/1381555275.db2.gz MQFGGWTYRUHDAO-MOPGFXCFSA-N 1 3 345.487 2.862 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC001423196934 1381555279 /nfs/dbraw/zinc/55/52/79/1381555279.db2.gz MQFGGWTYRUHDAO-MOPGFXCFSA-N 1 3 345.487 2.862 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001423210717 1381592369 /nfs/dbraw/zinc/59/23/69/1381592369.db2.gz QKWROZBFRVRGDY-SFHVURJKSA-N 1 3 347.478 2.767 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001438674478 1388731333 /nfs/dbraw/zinc/73/13/33/1388731333.db2.gz JMVWWGPGJPHOGT-WMLDXEAASA-N 1 3 337.895 2.679 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001423225624 1381616888 /nfs/dbraw/zinc/61/68/88/1381616888.db2.gz FWUBCNMSAXAJJQ-GOSISDBHSA-N 1 3 347.478 2.747 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001423230447 1381631294 /nfs/dbraw/zinc/63/12/94/1381631294.db2.gz PBTPVJXQHLGIAQ-KRWDZBQOSA-N 1 3 349.906 2.953 20 0 EFADHO Cc1cc(F)ccc1CNC1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001423309716 1381766037 /nfs/dbraw/zinc/76/60/37/1381766037.db2.gz XIBIYVXSBJXKJZ-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)[C@H]1C ZINC001423324911 1381785997 /nfs/dbraw/zinc/78/59/97/1381785997.db2.gz HSNMEANFQFOMSE-RHSMWYFYSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001423372404 1381866831 /nfs/dbraw/zinc/86/68/31/1381866831.db2.gz LZULPNGWZAKLKT-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C2CCC2)C1 ZINC001423382344 1381882371 /nfs/dbraw/zinc/88/23/71/1381882371.db2.gz IKNWXXQEDWZUDU-IEBWSBKVSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001438704446 1388749823 /nfs/dbraw/zinc/74/98/23/1388749823.db2.gz COKBGGRYOLDTIZ-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(C)c1)C(C)(C)C)N(C)C ZINC001423615044 1382169272 /nfs/dbraw/zinc/16/92/72/1382169272.db2.gz MYOSXGLQEUPCHN-ZWKOTPCHSA-N 1 3 333.520 2.956 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC001423620784 1382179076 /nfs/dbraw/zinc/17/90/76/1382179076.db2.gz ZYHZOQPCMWFPGQ-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO CC(C)(C(=O)NCC1(C)CC[NH+](CCCF)CC1)N1CCCCC1 ZINC001423661295 1382243636 /nfs/dbraw/zinc/24/36/36/1382243636.db2.gz RFBWSQIMIXIBDA-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001423698658 1382312920 /nfs/dbraw/zinc/31/29/20/1382312920.db2.gz FPVSTRZGLLFINP-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001423698658 1382312925 /nfs/dbraw/zinc/31/29/25/1382312925.db2.gz FPVSTRZGLLFINP-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(CF)cc2)C1 ZINC001423950704 1382538062 /nfs/dbraw/zinc/53/80/62/1382538062.db2.gz PRSAYTRZGBRNSF-VQIMIIECSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1 ZINC001423989479 1382599640 /nfs/dbraw/zinc/59/96/40/1382599640.db2.gz AJUSWXLQCJWXDS-RLLQIKCJSA-N 1 3 343.515 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1 ZINC001423989479 1382599646 /nfs/dbraw/zinc/59/96/46/1382599646.db2.gz AJUSWXLQCJWXDS-RLLQIKCJSA-N 1 3 343.515 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1 ZINC001423989480 1382600616 /nfs/dbraw/zinc/60/06/16/1382600616.db2.gz AJUSWXLQCJWXDS-YSIASYRMSA-N 1 3 343.515 2.788 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1 ZINC001423989480 1382600621 /nfs/dbraw/zinc/60/06/21/1382600621.db2.gz AJUSWXLQCJWXDS-YSIASYRMSA-N 1 3 343.515 2.788 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)CCCF)CC1 ZINC001438771627 1388800685 /nfs/dbraw/zinc/80/06/85/1388800685.db2.gz AXMVNVWKZCBEEY-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001438771627 1388800692 /nfs/dbraw/zinc/80/06/92/1388800692.db2.gz AXMVNVWKZCBEEY-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C)N(C)C ZINC001424154608 1382803525 /nfs/dbraw/zinc/80/35/25/1382803525.db2.gz YUOJUGDZJWGNDD-KURKYZTESA-N 1 3 325.541 2.980 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001424383362 1382974391 /nfs/dbraw/zinc/97/43/91/1382974391.db2.gz RTTMKPDADROMPM-HXUWFJFHSA-N 1 3 343.515 2.816 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001424383421 1382974646 /nfs/dbraw/zinc/97/46/46/1382974646.db2.gz SAEYVDMYBWZYSS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001424383421 1382974652 /nfs/dbraw/zinc/97/46/52/1382974652.db2.gz SAEYVDMYBWZYSS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCCN1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001424445084 1383026901 /nfs/dbraw/zinc/02/69/01/1383026901.db2.gz VZDJHKWUNRYTRX-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001424580359 1383150384 /nfs/dbraw/zinc/15/03/84/1383150384.db2.gz RCZARBFRDLTGCP-HNNXBMFYSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCCc1ccccc1)N(C)C ZINC001424702657 1383275466 /nfs/dbraw/zinc/27/54/66/1383275466.db2.gz KDJVSUGFRAAEAU-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCCc1ccccc1)N(C)C ZINC001424702657 1383275471 /nfs/dbraw/zinc/27/54/71/1383275471.db2.gz KDJVSUGFRAAEAU-PMACEKPBSA-N 1 3 345.531 2.882 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCC1)C1CCC1 ZINC001424707556 1383281352 /nfs/dbraw/zinc/28/13/52/1383281352.db2.gz OZLLPPVLSIZRRI-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCC1)C1CCC1 ZINC001424707556 1383281353 /nfs/dbraw/zinc/28/13/53/1383281353.db2.gz OZLLPPVLSIZRRI-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCc1ccccc1)N(C)C ZINC001424708387 1383282092 /nfs/dbraw/zinc/28/20/92/1383282092.db2.gz NWVBPCNAKMTXPC-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001424708387 1383282095 /nfs/dbraw/zinc/28/20/95/1383282095.db2.gz NWVBPCNAKMTXPC-VQTJNVASSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)cs1 ZINC001438837349 1388854456 /nfs/dbraw/zinc/85/44/56/1388854456.db2.gz DBKUDGHVNBIEFV-IAGOWNOFSA-N 1 3 339.549 2.873 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001424887508 1383463960 /nfs/dbraw/zinc/46/39/60/1383463960.db2.gz JPOUVRCFSFOTRA-UHFFFAOYSA-N 1 3 342.487 2.843 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001425489280 1383669879 /nfs/dbraw/zinc/66/98/79/1383669879.db2.gz BTFKIGYYNIIULB-DLBZAZTESA-N 1 3 337.533 2.723 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425683144 1383758758 /nfs/dbraw/zinc/75/87/58/1383758758.db2.gz POUFEKWJCAAVCF-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1ccccc1F ZINC001425937515 1383875653 /nfs/dbraw/zinc/87/56/53/1383875653.db2.gz XJHCDJKDQSBVJR-VQIMIIECSA-N 1 3 349.494 2.679 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C3CCC3)C2)c1 ZINC001426210030 1384073252 /nfs/dbraw/zinc/07/32/52/1384073252.db2.gz XJGCKGHRAKBERW-UHFFFAOYSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001426685458 1384489407 /nfs/dbraw/zinc/48/94/07/1384489407.db2.gz UPSINMHMZOLZAV-RTBURBONSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001426685458 1384489408 /nfs/dbraw/zinc/48/94/08/1384489408.db2.gz UPSINMHMZOLZAV-RTBURBONSA-N 1 3 346.519 2.587 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001426723913 1384519668 /nfs/dbraw/zinc/51/96/68/1384519668.db2.gz PGZKCRJKZBXJKG-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001439080947 1388985213 /nfs/dbraw/zinc/98/52/13/1388985213.db2.gz GRCFJKZXSWSCTM-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439080947 1388985218 /nfs/dbraw/zinc/98/52/18/1388985218.db2.gz GRCFJKZXSWSCTM-GJZGRUSLSA-N 1 3 337.895 2.791 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001433637875 1386940583 /nfs/dbraw/zinc/94/05/83/1386940583.db2.gz RWKFAVZUCCJPSR-SFHVURJKSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001433637875 1386940587 /nfs/dbraw/zinc/94/05/87/1386940587.db2.gz RWKFAVZUCCJPSR-SFHVURJKSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001433637872 1386940619 /nfs/dbraw/zinc/94/06/19/1386940619.db2.gz RWKFAVZUCCJPSR-GOSISDBHSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001433637872 1386940623 /nfs/dbraw/zinc/94/06/23/1386940623.db2.gz RWKFAVZUCCJPSR-GOSISDBHSA-N 1 3 349.494 2.836 20 0 EFADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001439366369 1389194191 /nfs/dbraw/zinc/19/41/91/1389194191.db2.gz HUSFBMGVFNBXIH-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001439371693 1389202504 /nfs/dbraw/zinc/20/25/04/1389202504.db2.gz SFBNOPISLGABBT-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001439371693 1389202507 /nfs/dbraw/zinc/20/25/07/1389202507.db2.gz SFBNOPISLGABBT-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440255178 1389479260 /nfs/dbraw/zinc/47/92/60/1389479260.db2.gz SNEMYXUKTSCISB-MSOLQXFVSA-N 1 3 343.515 2.931 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)cc1 ZINC001440324711 1389536155 /nfs/dbraw/zinc/53/61/55/1389536155.db2.gz SNQSLYLAXRMMIB-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001440339890 1389547435 /nfs/dbraw/zinc/54/74/35/1389547435.db2.gz IAVUFETXMLJSLC-JCNLHEQBSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC2CCCCCC2)CCC1 ZINC001440355494 1389560159 /nfs/dbraw/zinc/56/01/59/1389560159.db2.gz GHNRRCKGYRYLGZ-UHFFFAOYSA-N 1 3 332.492 2.860 20 0 EFADHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001440477558 1389684380 /nfs/dbraw/zinc/68/43/80/1389684380.db2.gz DEXAGENTOQIJGN-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001440477558 1389684382 /nfs/dbraw/zinc/68/43/82/1389684382.db2.gz DEXAGENTOQIJGN-HOTGVXAUSA-N 1 3 335.467 2.619 20 0 EFADHO CN(C)[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccc1 ZINC001440587239 1389761473 /nfs/dbraw/zinc/76/14/73/1389761473.db2.gz NOBAJPYQGXDEGL-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)sc2C)[C@@H](C)C1 ZINC001440593084 1389763691 /nfs/dbraw/zinc/76/36/91/1389763691.db2.gz BRUNWQZBDZHRGQ-GUYCJALGSA-N 1 3 337.533 2.643 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001440596161 1389764334 /nfs/dbraw/zinc/76/43/34/1389764334.db2.gz XVXLQPJAYDRPHY-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440707489 1389830279 /nfs/dbraw/zinc/83/02/79/1389830279.db2.gz RNAORDSTNVEEAO-FAOGRTBUSA-N 1 3 341.927 2.641 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440707489 1389830283 /nfs/dbraw/zinc/83/02/83/1389830283.db2.gz RNAORDSTNVEEAO-FAOGRTBUSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1)N(C)C ZINC001440885797 1389977355 /nfs/dbraw/zinc/97/73/55/1389977355.db2.gz MPLHESPUZJZUTH-SFHVURJKSA-N 1 3 333.520 2.847 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccccc1C1CC1 ZINC001440943691 1390031063 /nfs/dbraw/zinc/03/10/63/1390031063.db2.gz ZBNFSVDXXNZTIX-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccccc1C1CC1 ZINC001440943691 1390031070 /nfs/dbraw/zinc/03/10/70/1390031070.db2.gz ZBNFSVDXXNZTIX-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001440943793 1390031134 /nfs/dbraw/zinc/03/11/34/1390031134.db2.gz ZEGIIWWVPXIOTB-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001440943793 1390031142 /nfs/dbraw/zinc/03/11/42/1390031142.db2.gz ZEGIIWWVPXIOTB-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440955036 1390044702 /nfs/dbraw/zinc/04/47/02/1390044702.db2.gz LNSFQZWUDMXRSC-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001440965150 1390056303 /nfs/dbraw/zinc/05/63/03/1390056303.db2.gz XBESWWLHHWPIAD-IFXJQAMLSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001440987161 1391006517 /nfs/dbraw/zinc/00/65/17/1391006517.db2.gz SKCYSCZXNNZUCU-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](Cc1csc(C)c1)CC2 ZINC001441152677 1391149599 /nfs/dbraw/zinc/14/95/99/1391149599.db2.gz GWYLXUAVMBMDQD-KRWDZBQOSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001441199532 1391176395 /nfs/dbraw/zinc/17/63/95/1391176395.db2.gz DOAMVNKQWGHWHT-GOSISDBHSA-N 1 3 345.531 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001441215627 1391187742 /nfs/dbraw/zinc/18/77/42/1391187742.db2.gz XDWSHBRJZXKJOP-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC001441359612 1391266490 /nfs/dbraw/zinc/26/64/90/1391266490.db2.gz VTDYSYAACQCHNQ-HNNXBMFYSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001441359612 1391266498 /nfs/dbraw/zinc/26/64/98/1391266498.db2.gz VTDYSYAACQCHNQ-HNNXBMFYSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC001441359613 1391266809 /nfs/dbraw/zinc/26/68/09/1391266809.db2.gz VTDYSYAACQCHNQ-OAHLLOKOSA-N 1 3 340.471 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001441359613 1391266812 /nfs/dbraw/zinc/26/68/12/1391266812.db2.gz VTDYSYAACQCHNQ-OAHLLOKOSA-N 1 3 340.471 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001441617496 1391387123 /nfs/dbraw/zinc/38/71/23/1391387123.db2.gz NMYJNZJCRLMWEO-SFHVURJKSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001441623623 1391389258 /nfs/dbraw/zinc/38/92/58/1391389258.db2.gz SHPQLFRFPDDKIL-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001446941025 1391641773 /nfs/dbraw/zinc/64/17/73/1391641773.db2.gz HPSNPMOMEMZGSW-AEFFLSMTSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC[C@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001446984259 1391652486 /nfs/dbraw/zinc/65/24/86/1391652486.db2.gz CPXJWYLLTCPXLY-ZGXWSNOMSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC[C@H]3CCC[C@H](C)C3)C[C@@H]2C1 ZINC001446984259 1391652491 /nfs/dbraw/zinc/65/24/91/1391652491.db2.gz CPXJWYLLTCPXLY-ZGXWSNOMSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001447640769 1391723024 /nfs/dbraw/zinc/72/30/24/1391723024.db2.gz UVCIKVLCLGXONK-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001447640769 1391723032 /nfs/dbraw/zinc/72/30/32/1391723032.db2.gz UVCIKVLCLGXONK-PBHICJAKSA-N 1 3 337.533 2.867 20 0 EFADHO CC(C)N1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001447702436 1391737466 /nfs/dbraw/zinc/73/74/66/1391737466.db2.gz GKVRVDLTPQKOJU-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C/C=C\c1ccccc1 ZINC001448043339 1391914342 /nfs/dbraw/zinc/91/43/42/1391914342.db2.gz NIOIMWDAQLZLLX-NLZINVLXSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C/C=C\c1ccccc1 ZINC001448043339 1391914346 /nfs/dbraw/zinc/91/43/46/1391914346.db2.gz NIOIMWDAQLZLLX-NLZINVLXSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@H]1C ZINC001449016877 1392208322 /nfs/dbraw/zinc/20/83/22/1392208322.db2.gz QBEDGJAEHKFWKG-WBVHZDCISA-N 1 3 343.471 2.854 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001507089226 1406686408 /nfs/dbraw/zinc/68/64/08/1406686408.db2.gz LURZWMUHLDABNU-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CCC1CCCC1 ZINC001507126537 1406737587 /nfs/dbraw/zinc/73/75/87/1406737587.db2.gz MQNWOWBQUHUAHZ-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cs1 ZINC001507126092 1406738048 /nfs/dbraw/zinc/73/80/48/1406738048.db2.gz LLWWQLDFSOUKGW-CQSZACIVSA-N 1 3 339.549 2.971 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001507128235 1406741913 /nfs/dbraw/zinc/74/19/13/1406741913.db2.gz TUZWDUGPKYJRPE-GOSISDBHSA-N 1 3 347.547 2.952 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001460230297 1396014117 /nfs/dbraw/zinc/01/41/17/1396014117.db2.gz SGAOHBDHUIZRPB-NRFANRHFSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)CCCN2CCN(c3ccccc3)CC2)C1 ZINC001460230297 1396014122 /nfs/dbraw/zinc/01/41/22/1396014122.db2.gz SGAOHBDHUIZRPB-NRFANRHFSA-N 1 3 344.547 2.613 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cc3ccccc3s2)CC1 ZINC001461148549 1396294059 /nfs/dbraw/zinc/29/40/59/1396294059.db2.gz WBCJVTJHYJAKNV-UHFFFAOYSA-N 1 3 345.512 2.934 20 0 EFADHO c1cc(CN2CCC(C[NH2+]Cc3ccc4nonc4c3)CC2)ccn1 ZINC001462417264 1396434383 /nfs/dbraw/zinc/43/43/83/1396434383.db2.gz LUSDAQRVEDCMPV-UHFFFAOYSA-N 1 3 337.427 2.620 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC001462473736 1396437374 /nfs/dbraw/zinc/43/73/74/1396437374.db2.gz AUSKMQGJKURYAJ-KAXARAQCSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001507288830 1406852988 /nfs/dbraw/zinc/85/29/88/1406852988.db2.gz HAPCRXZVGDZHKB-WMLDXEAASA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001468702740 1396981021 /nfs/dbraw/zinc/98/10/21/1396981021.db2.gz YBPFLWLFBWUIEI-NSISKUIASA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001468702740 1396981024 /nfs/dbraw/zinc/98/10/24/1396981024.db2.gz YBPFLWLFBWUIEI-NSISKUIASA-N 1 3 345.531 2.944 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001469218626 1397012063 /nfs/dbraw/zinc/01/20/63/1397012063.db2.gz WBIJYDWOQVPMRO-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001469218626 1397012071 /nfs/dbraw/zinc/01/20/71/1397012071.db2.gz WBIJYDWOQVPMRO-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001469218626 1397012076 /nfs/dbraw/zinc/01/20/76/1397012076.db2.gz WBIJYDWOQVPMRO-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001469218626 1397012086 /nfs/dbraw/zinc/01/20/86/1397012086.db2.gz WBIJYDWOQVPMRO-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC001470067893 1397072161 /nfs/dbraw/zinc/07/21/61/1397072161.db2.gz SFOYNIWHQQYLBS-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001470777005 1397119977 /nfs/dbraw/zinc/11/99/77/1397119977.db2.gz SITFFRWBJFLWBI-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001470777005 1397119980 /nfs/dbraw/zinc/11/99/80/1397119980.db2.gz SITFFRWBJFLWBI-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC001470855757 1397126990 /nfs/dbraw/zinc/12/69/90/1397126990.db2.gz UJKHIUVGNDGYAP-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC001470855757 1397126992 /nfs/dbraw/zinc/12/69/92/1397126992.db2.gz UJKHIUVGNDGYAP-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)C2)cc1 ZINC001471141273 1397144826 /nfs/dbraw/zinc/14/48/26/1397144826.db2.gz LQHGUYLIHVNOAO-IEBWSBKVSA-N 1 3 346.519 2.597 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)C2)cc1 ZINC001471141273 1397144833 /nfs/dbraw/zinc/14/48/33/1397144833.db2.gz LQHGUYLIHVNOAO-IEBWSBKVSA-N 1 3 346.519 2.597 20 0 EFADHO Cc1ccc(F)cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001473501477 1397306282 /nfs/dbraw/zinc/30/62/82/1397306282.db2.gz KILPQYIMJWJNNE-LJQANCHMSA-N 1 3 333.451 2.880 20 0 EFADHO Cc1ccc(F)cc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC001473501477 1397306286 /nfs/dbraw/zinc/30/62/86/1397306286.db2.gz KILPQYIMJWJNNE-LJQANCHMSA-N 1 3 333.451 2.880 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)Cc1cccc(Cl)c1 ZINC001473808008 1397334089 /nfs/dbraw/zinc/33/40/89/1397334089.db2.gz AGYOZRSPENPDQJ-KXBFYZLASA-N 1 3 345.874 2.849 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC001473808006 1397334547 /nfs/dbraw/zinc/33/45/47/1397334547.db2.gz AGYOZRSPENPDQJ-DNVCBOLYSA-N 1 3 345.874 2.849 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCCN1C)CC(C)C ZINC001477435178 1397534157 /nfs/dbraw/zinc/53/41/57/1397534157.db2.gz BBWCMEPZQXYONO-IAGOWNOFSA-N 1 3 326.529 2.526 20 0 EFADHO CN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001478537758 1397583509 /nfs/dbraw/zinc/58/35/09/1397583509.db2.gz ZLCRYUICLMLHKY-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCCN(C)C1 ZINC001478537758 1397583511 /nfs/dbraw/zinc/58/35/11/1397583511.db2.gz ZLCRYUICLMLHKY-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001479233998 1397629526 /nfs/dbraw/zinc/62/95/26/1397629526.db2.gz LRLFBFQVFGFZCQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001479299786 1397671891 /nfs/dbraw/zinc/67/18/91/1397671891.db2.gz LTCGEPSMEMVQJQ-KDURUIRLSA-N 1 3 343.515 2.718 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001479320180 1397682883 /nfs/dbraw/zinc/68/28/83/1397682883.db2.gz BDKNCUSSFRAPGN-IZBJGVDFSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001479400416 1397714636 /nfs/dbraw/zinc/71/46/36/1397714636.db2.gz QTZNHBGRUXBZIZ-WGSAOQKQSA-N 1 3 345.531 2.691 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001479409411 1397718210 /nfs/dbraw/zinc/71/82/10/1397718210.db2.gz QLTZLNZWFMKERG-JOCQHMNTSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001479956014 1398041615 /nfs/dbraw/zinc/04/16/15/1398041615.db2.gz NWQQNVLAGRWRMP-IHEKOVBBSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001479956014 1398041621 /nfs/dbraw/zinc/04/16/21/1398041621.db2.gz NWQQNVLAGRWRMP-IHEKOVBBSA-N 1 3 343.515 2.867 20 0 EFADHO CN(CC(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2)C1CCC1 ZINC001479980453 1398066402 /nfs/dbraw/zinc/06/64/02/1398066402.db2.gz HIVJRJAMQNYSMA-LJQANCHMSA-N 1 3 341.499 2.642 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001480155456 1398130658 /nfs/dbraw/zinc/13/06/58/1398130658.db2.gz SRIALMHEGYHGPZ-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001480155456 1398130663 /nfs/dbraw/zinc/13/06/63/1398130663.db2.gz SRIALMHEGYHGPZ-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001480576200 1398220375 /nfs/dbraw/zinc/22/03/75/1398220375.db2.gz ABOZYAUEAUBYLA-DYVFJYSZSA-N 1 3 337.895 2.763 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001480709752 1398301046 /nfs/dbraw/zinc/30/10/46/1398301046.db2.gz SVHASMYMFIHJGN-MOPGFXCFSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001493135273 1398470499 /nfs/dbraw/zinc/47/04/99/1398470499.db2.gz HVEPUNNLQXNHDS-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001493135273 1398470503 /nfs/dbraw/zinc/47/05/03/1398470503.db2.gz HVEPUNNLQXNHDS-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)NCCN(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001493415147 1398688863 /nfs/dbraw/zinc/68/88/63/1398688863.db2.gz VTJZUWKQDVYMPC-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(Cc2ccc(Cl)cc2)C2CC2)C1 ZINC001493415147 1398688867 /nfs/dbraw/zinc/68/88/67/1398688867.db2.gz VTJZUWKQDVYMPC-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCc3c2cccc3Cl)CCC1 ZINC001493575195 1398758844 /nfs/dbraw/zinc/75/88/44/1398758844.db2.gz UKJNADJTCICHSH-QGZVFWFLSA-N 1 3 349.906 2.860 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[NH2+][C@@H]2CCCc3ccccc32)CCC1 ZINC001493575002 1398758960 /nfs/dbraw/zinc/75/89/60/1398758960.db2.gz QCEFUJMQZFTBIH-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC001493695466 1398814192 /nfs/dbraw/zinc/81/41/92/1398814192.db2.gz REXZUHUILJHMIA-DLBZAZTESA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1ccc2c(c1)CCC2 ZINC001493695468 1398814841 /nfs/dbraw/zinc/81/48/41/1398814841.db2.gz REXZUHUILJHMIA-IRXDYDNUSA-N 1 3 343.515 2.626 20 0 EFADHO CCCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001493959392 1399010024 /nfs/dbraw/zinc/01/00/24/1399010024.db2.gz FVZSLCBZDPLECZ-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137413 1399159299 /nfs/dbraw/zinc/15/92/99/1399159299.db2.gz MEOWWAFVPIKBKC-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137413 1399159307 /nfs/dbraw/zinc/15/93/07/1399159307.db2.gz MEOWWAFVPIKBKC-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)CCCC3CCC3)C2)CCC1 ZINC001494137473 1399159858 /nfs/dbraw/zinc/15/98/58/1399159858.db2.gz MYHGLUUGCZCNMQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)CCCC3CCC3)C2)CCC1 ZINC001494137473 1399159860 /nfs/dbraw/zinc/15/98/60/1399159860.db2.gz MYHGLUUGCZCNMQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001494195491 1399203484 /nfs/dbraw/zinc/20/34/84/1399203484.db2.gz JNSUSWIMOUVDAW-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001494195491 1399203486 /nfs/dbraw/zinc/20/34/86/1399203486.db2.gz JNSUSWIMOUVDAW-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001494557469 1399377825 /nfs/dbraw/zinc/37/78/25/1399377825.db2.gz ONAJFADNHAEQCA-QFBILLFUSA-N 1 3 349.494 2.784 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001494557468 1399377844 /nfs/dbraw/zinc/37/78/44/1399377844.db2.gz ONAJFADNHAEQCA-LPHOPBHVSA-N 1 3 349.494 2.784 20 0 EFADHO C[C@@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001494558329 1399378515 /nfs/dbraw/zinc/37/85/15/1399378515.db2.gz CXVHCFSBAPXIPN-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001507418181 1407032009 /nfs/dbraw/zinc/03/20/09/1407032009.db2.gz CDDROMNKWOWTIT-APWZRJJASA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001494998000 1399594452 /nfs/dbraw/zinc/59/44/52/1399594452.db2.gz AZSWICLOCDRYSM-SJORKVTESA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001495002530 1399597198 /nfs/dbraw/zinc/59/71/98/1399597198.db2.gz MCJATGWEZRYKLN-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CC(C)C1 ZINC001495136436 1399691321 /nfs/dbraw/zinc/69/13/21/1399691321.db2.gz IIXSGZYRVYSTON-GXOAENINSA-N 1 3 331.504 2.892 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001495378579 1399925321 /nfs/dbraw/zinc/92/53/21/1399925321.db2.gz KUBJMKXFRNRARN-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001495380217 1399925956 /nfs/dbraw/zinc/92/59/56/1399925956.db2.gz QCGXTLJTESMIHK-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CCC(CC)C[NH+]1CCC(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001495530733 1400060724 /nfs/dbraw/zinc/06/07/24/1400060724.db2.gz FLIBLGZDHJXABC-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CN(C)C2CCC2)cc1C ZINC001495683741 1400164330 /nfs/dbraw/zinc/16/43/30/1400164330.db2.gz KEDRQJLSHCCMHY-HNNXBMFYSA-N 1 3 331.504 2.630 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1C ZINC001495684188 1400164525 /nfs/dbraw/zinc/16/45/25/1400164525.db2.gz MHMMRTFTIOIZDI-OAHLLOKOSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(Cl)s1 ZINC001495685857 1400166545 /nfs/dbraw/zinc/16/65/45/1400166545.db2.gz XCBRBCUAQUVKJQ-GFCCVEGCSA-N 1 3 343.924 2.728 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082554 1400461259 /nfs/dbraw/zinc/46/12/59/1400461259.db2.gz SRXLWTIZKNMRGK-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001496370370 1400679121 /nfs/dbraw/zinc/67/91/21/1400679121.db2.gz UJDGMLGJVRAAGR-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2)C1 ZINC001496446611 1400737020 /nfs/dbraw/zinc/73/70/20/1400737020.db2.gz FONBMNOWYPDAPT-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001496715747 1400937468 /nfs/dbraw/zinc/93/74/68/1400937468.db2.gz RYGJJCHOOMPQBK-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001496715747 1400937474 /nfs/dbraw/zinc/93/74/74/1400937474.db2.gz RYGJJCHOOMPQBK-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717105 1400939344 /nfs/dbraw/zinc/93/93/44/1400939344.db2.gz GCWOGQQLADYBJP-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496717105 1400939347 /nfs/dbraw/zinc/93/93/47/1400939347.db2.gz GCWOGQQLADYBJP-QGZVFWFLSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001496888821 1401079368 /nfs/dbraw/zinc/07/93/68/1401079368.db2.gz QHXOMWWLURADOK-UYAOXDASSA-N 1 3 343.515 2.854 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1CNC/C(Cl)=C\Cl ZINC001496903022 1401090174 /nfs/dbraw/zinc/09/01/74/1401090174.db2.gz FAKZKWZLYPPZRS-LACBQNOSSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001496916150 1401100983 /nfs/dbraw/zinc/10/09/83/1401100983.db2.gz OYAJTDVIZMNEIY-QFBILLFUSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001497215181 1401223749 /nfs/dbraw/zinc/22/37/49/1401223749.db2.gz MMDPBAXOQSYSCH-CRAIPNDOSA-N 1 3 342.487 2.559 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)CN1CC[C@@H](C)C1 ZINC001497453740 1401386713 /nfs/dbraw/zinc/38/67/13/1401386713.db2.gz FQVKPTPNMFABJH-SJLPKXTDSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001497611259 1401492204 /nfs/dbraw/zinc/49/22/04/1401492204.db2.gz NFQSLYPHJCSYAG-CSHXORCISA-N 1 3 331.504 2.714 20 0 EFADHO C[C@H](CNCc1sccc1Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001497990599 1401796372 /nfs/dbraw/zinc/79/63/72/1401796372.db2.gz MXNROTSBLKZPIN-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001498052909 1401832194 /nfs/dbraw/zinc/83/21/94/1401832194.db2.gz ASEWVBRINKNTHL-STQMWFEESA-N 1 3 339.430 2.604 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312337 1401998777 /nfs/dbraw/zinc/99/87/77/1401998777.db2.gz JHDLLEXPZKLYKC-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312337 1401998779 /nfs/dbraw/zinc/99/87/79/1401998779.db2.gz JHDLLEXPZKLYKC-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO CN(C)C1(C(=O)N[C@H](C[NH2+]Cc2ccccc2F)C(C)(C)C)CCC1 ZINC001507950454 1407221238 /nfs/dbraw/zinc/22/12/38/1407221238.db2.gz FQHLLYNLNMXNAH-QGZVFWFLSA-N 1 3 349.494 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001498428785 1402094562 /nfs/dbraw/zinc/09/45/62/1402094562.db2.gz KLGHRWDDIMELRJ-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001498428785 1402094555 /nfs/dbraw/zinc/09/45/55/1402094555.db2.gz KLGHRWDDIMELRJ-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487156 1402140140 /nfs/dbraw/zinc/14/01/40/1402140140.db2.gz FGPJCBVENYGZAA-IRXDYDNUSA-N 1 3 325.541 2.885 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1 ZINC001498769579 1402278497 /nfs/dbraw/zinc/27/84/97/1402278497.db2.gz IRGZKUSIMAYQNV-BEFAXECRSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001498771601 1402279676 /nfs/dbraw/zinc/27/96/76/1402279676.db2.gz WNKZCLQJTUWXJS-AUUYWEPGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](NC(=O)CN(C)CC(C)(C)C)C1CC1 ZINC001498822987 1402314950 /nfs/dbraw/zinc/31/49/50/1402314950.db2.gz WALAWTQOZNZAGK-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]C/C=C\Cl ZINC001498897546 1402366913 /nfs/dbraw/zinc/36/69/13/1402366913.db2.gz GUCDAYXAELQUPN-LRDXNBAQSA-N 1 3 343.943 2.934 20 0 EFADHO Cc1cc(C)c(CN2CC[C@@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001499047272 1402442156 /nfs/dbraw/zinc/44/21/56/1402442156.db2.gz DYRPMQMHSODOLY-GOSISDBHSA-N 1 3 331.504 2.644 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CC1)N1CCCCC1 ZINC001499225955 1402527834 /nfs/dbraw/zinc/52/78/34/1402527834.db2.gz KAACCTUZERZNIP-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001499243245 1402534893 /nfs/dbraw/zinc/53/48/93/1402534893.db2.gz DFZKVDMERZPJEL-GOSISDBHSA-N 1 3 347.478 2.747 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2ccc(C)c(F)c2)CC1 ZINC001499243245 1402534896 /nfs/dbraw/zinc/53/48/96/1402534896.db2.gz DFZKVDMERZPJEL-GOSISDBHSA-N 1 3 347.478 2.747 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001499353091 1402577970 /nfs/dbraw/zinc/57/79/70/1402577970.db2.gz ZYDYAFUGKRJLEU-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO CCCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001499530904 1402666019 /nfs/dbraw/zinc/66/60/19/1402666019.db2.gz NMPKQOATDYXGHS-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001499530904 1402666022 /nfs/dbraw/zinc/66/60/22/1402666022.db2.gz NMPKQOATDYXGHS-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC001499577521 1402695674 /nfs/dbraw/zinc/69/56/74/1402695674.db2.gz WTMQCZCQGNYLNY-AFMYVXGZSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC001499577521 1402695679 /nfs/dbraw/zinc/69/56/79/1402695679.db2.gz WTMQCZCQGNYLNY-AFMYVXGZSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)sc1C ZINC001499943230 1402864438 /nfs/dbraw/zinc/86/44/38/1402864438.db2.gz BOIPQYMXBDEMAD-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO Cc1ccc(CC[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001508113857 1407302133 /nfs/dbraw/zinc/30/21/33/1407302133.db2.gz UKLYGMBDUYAGBS-UHFFFAOYSA-N 1 3 343.515 2.601 20 0 EFADHO CCC(CC)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001501081199 1403432841 /nfs/dbraw/zinc/43/28/41/1403432841.db2.gz ZJGRDKLURGTEJB-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2c(C)cccc2C)C1 ZINC001501082978 1403433227 /nfs/dbraw/zinc/43/32/27/1403433227.db2.gz CKBCFPDZKMOYKQ-RBUKOAKNSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2c(C)cccc2C)C1 ZINC001501082976 1403433386 /nfs/dbraw/zinc/43/33/86/1403433386.db2.gz CKBCFPDZKMOYKQ-MOPGFXCFSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2C)C1 ZINC001501083262 1403433401 /nfs/dbraw/zinc/43/34/01/1403433401.db2.gz GMNJXWTXRSIDTK-IRXDYDNUSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001501637369 1403659244 /nfs/dbraw/zinc/65/92/44/1403659244.db2.gz HPTNIVKWYPAKDK-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001501637367 1403659687 /nfs/dbraw/zinc/65/96/87/1403659687.db2.gz HPTNIVKWYPAKDK-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@H+](CCc3cccs3)CC2)CCC1 ZINC001502126266 1404019225 /nfs/dbraw/zinc/01/92/25/1404019225.db2.gz UGWLLTVTTNIMMN-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[N@@H+](CCc3cccs3)CC2)CCC1 ZINC001502126266 1404019229 /nfs/dbraw/zinc/01/92/29/1404019229.db2.gz UGWLLTVTTNIMMN-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001502166864 1404061776 /nfs/dbraw/zinc/06/17/76/1404061776.db2.gz IMLYBDKNMIFZCZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001502166864 1404061781 /nfs/dbraw/zinc/06/17/81/1404061781.db2.gz IMLYBDKNMIFZCZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001502378671 1404117574 /nfs/dbraw/zinc/11/75/74/1404117574.db2.gz GKLNMRBPQZSINC-SFHVURJKSA-N 1 3 344.434 2.559 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH]cn1 ZINC001502378671 1404117586 /nfs/dbraw/zinc/11/75/86/1404117586.db2.gz GKLNMRBPQZSINC-SFHVURJKSA-N 1 3 344.434 2.559 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834985 1404389932 /nfs/dbraw/zinc/38/99/32/1404389932.db2.gz UGMQMMVZSKZWBL-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834985 1404389938 /nfs/dbraw/zinc/38/99/38/1404389938.db2.gz UGMQMMVZSKZWBL-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001503002754 1404455537 /nfs/dbraw/zinc/45/55/37/1404455537.db2.gz NANDAFBVXJUMJJ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001503002754 1404455549 /nfs/dbraw/zinc/45/55/49/1404455549.db2.gz NANDAFBVXJUMJJ-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001503002756 1404455891 /nfs/dbraw/zinc/45/58/91/1404455891.db2.gz NANDAFBVXJUMJJ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001503002756 1404455894 /nfs/dbraw/zinc/45/58/94/1404455894.db2.gz NANDAFBVXJUMJJ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001505408651 1404566571 /nfs/dbraw/zinc/56/65/71/1404566571.db2.gz HDVNFTBHRTWLBS-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C/C=C\c1ccccc1 ZINC001505452295 1404656233 /nfs/dbraw/zinc/65/62/33/1404656233.db2.gz FLUPQLRBJSXFAD-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)C/C=C\c1ccccc1 ZINC001505452295 1404656243 /nfs/dbraw/zinc/65/62/43/1404656243.db2.gz FLUPQLRBJSXFAD-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C/C=C\c1ccccc1 ZINC001505452292 1404658142 /nfs/dbraw/zinc/65/81/42/1404658142.db2.gz FLUPQLRBJSXFAD-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)C/C=C\c1ccccc1 ZINC001505452292 1404658155 /nfs/dbraw/zinc/65/81/55/1404658155.db2.gz FLUPQLRBJSXFAD-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccc(Cl)cc1 ZINC001505989266 1405311626 /nfs/dbraw/zinc/31/16/26/1405311626.db2.gz SDTOTEDULWTHLJ-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)CCC[NH+](C)C)c(C)s1 ZINC001505991236 1405314133 /nfs/dbraw/zinc/31/41/33/1405314133.db2.gz OPSZOMFATOUQNP-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cccc(Cl)c1 ZINC001505994398 1405320293 /nfs/dbraw/zinc/32/02/93/1405320293.db2.gz CBFRYPASYRCPPM-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001506043187 1405393452 /nfs/dbraw/zinc/39/34/52/1405393452.db2.gz LKZOMVDCHVQMFD-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)[C@@H]1CCc2ccc(F)cc21 ZINC001506043187 1405393465 /nfs/dbraw/zinc/39/34/65/1405393465.db2.gz LKZOMVDCHVQMFD-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CCCc1cccc(C)c1 ZINC001506045947 1405398653 /nfs/dbraw/zinc/39/86/53/1405398653.db2.gz GZVRNYIQAIXQAS-INIZCTEOSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CCCc1cccc(C)c1 ZINC001506045947 1405398658 /nfs/dbraw/zinc/39/86/58/1405398658.db2.gz GZVRNYIQAIXQAS-INIZCTEOSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CCCc1cccc(C)c1 ZINC001506045948 1405401107 /nfs/dbraw/zinc/40/11/07/1405401107.db2.gz GZVRNYIQAIXQAS-MRXNPFEDSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CCCc1cccc(C)c1 ZINC001506045948 1405401110 /nfs/dbraw/zinc/40/11/10/1405401110.db2.gz GZVRNYIQAIXQAS-MRXNPFEDSA-N 1 3 342.487 2.638 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)CCc1ccccc1F ZINC001506065218 1405424870 /nfs/dbraw/zinc/42/48/70/1405424870.db2.gz LQIAMUKEGJNQDA-QGZVFWFLSA-N 1 3 349.494 2.681 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001506627661 1406063084 /nfs/dbraw/zinc/06/30/84/1406063084.db2.gz QWUBCGTUPPLQGV-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NCc1ccc([C@H]3C[C@@H]3C)o1)[C@@H](O)C2 ZINC001550668866 1413693072 /nfs/dbraw/zinc/69/30/72/1413693072.db2.gz WGIUFUJYBBKAGJ-DLIUYKDTSA-N 1 3 332.488 2.972 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC(C)([NH3+])CC3)C2)cc1 ZINC001550751989 1413717209 /nfs/dbraw/zinc/71/72/09/1413717209.db2.gz SKPAJYDSVKIQDR-FDYSRKEFSA-N 1 3 344.503 2.529 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1Cn1cc(CN[C@H]2CCCC23CCCCC3)nn1 ZINC001550906729 1413796705 /nfs/dbraw/zinc/79/67/05/1413796705.db2.gz QOAZAKVWBYDQEE-NXHRZFHOSA-N 1 3 331.508 2.998 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C12CCC2 ZINC001551238428 1413970150 /nfs/dbraw/zinc/97/01/50/1413970150.db2.gz SMAZVQPSOIPBSM-CXUOOODFSA-N 1 3 336.520 2.957 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC001551238736 1413970672 /nfs/dbraw/zinc/97/06/72/1413970672.db2.gz YPYYYVUBCQELFJ-QRBPQYNOSA-N 1 3 336.520 2.815 20 0 EFADHO Cc1nn2c(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c(C)nc2s1 ZINC001551262757 1413983232 /nfs/dbraw/zinc/98/32/32/1413983232.db2.gz RUZQZZYODCSMKG-ZNMIVQPWSA-N 1 3 333.505 2.570 20 0 EFADHO Cn1cc(-c2nc(CN3C[C@H]4CC[C@@H]([NH+](C)C)C[C@@H]4C3)cs2)cn1 ZINC001551262304 1413983468 /nfs/dbraw/zinc/98/34/68/1413983468.db2.gz QWJVBHWYRHXERD-CKEIUWERSA-N 1 3 345.516 2.706 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3ccc(-c4nccs4)n3)C[C@@H]2C1 ZINC001551380706 1414049315 /nfs/dbraw/zinc/04/93/15/1414049315.db2.gz FZIZFYVZSRKBSY-QLFBSQMISA-N 1 3 331.489 2.626 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC001551400405 1414062686 /nfs/dbraw/zinc/06/26/86/1414062686.db2.gz OWBOLPVJJDQYHR-LHQJTOJGSA-N 1 3 338.536 2.941 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC001551400409 1414062808 /nfs/dbraw/zinc/06/28/08/1414062808.db2.gz OWBOLPVJJDQYHR-SOAISFHBSA-N 1 3 338.536 2.941 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC2CCC3(C[C@H]3[NH3+])CC2)N(C)C)cc1 ZINC001551567579 1414127107 /nfs/dbraw/zinc/12/71/07/1414127107.db2.gz JZEGTSREPLBXKU-SFANZJOMSA-N 1 3 344.503 2.557 20 0 EFADHO CC1CCC(N2CCN(C(=O)NC3CCC4(C[C@@H]4[NH3+])CC3)CC2)CC1 ZINC001551579945 1414131147 /nfs/dbraw/zinc/13/11/47/1414131147.db2.gz KCHOXVQHFMIKMG-AZRLCKCBSA-N 1 3 348.535 2.552 20 0 EFADHO C[NH+](C)C1CC(CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001552210248 1414374475 /nfs/dbraw/zinc/37/44/75/1414374475.db2.gz KTRMOPQNMZFLHL-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)N1 ZINC001552231562 1414382151 /nfs/dbraw/zinc/38/21/51/1414382151.db2.gz IHZYTBBZRZIQRX-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@@H+]1C ZINC001552235606 1414384422 /nfs/dbraw/zinc/38/44/22/1414384422.db2.gz VDXFCGUZTCQSJI-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCCC3)c2)[N@H+]1C ZINC001552235606 1414384426 /nfs/dbraw/zinc/38/44/26/1414384426.db2.gz VDXFCGUZTCQSJI-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@H+](C)C4)c3)[C@H]2C1 ZINC001552332455 1414428290 /nfs/dbraw/zinc/42/82/90/1414428290.db2.gz QQSNWLRZYPEQLA-VDGAXYAQSA-N 1 3 341.499 2.662 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)c3cccc([C@H]4CCC[N@@H+](C)C4)c3)[C@H]2C1 ZINC001552332455 1414428295 /nfs/dbraw/zinc/42/82/95/1414428295.db2.gz QQSNWLRZYPEQLA-VDGAXYAQSA-N 1 3 341.499 2.662 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC001552376531 1414442992 /nfs/dbraw/zinc/44/29/92/1414442992.db2.gz UIRJZGUBIXGYOR-AEFFLSMTSA-N 1 3 334.508 2.598 20 0 EFADHO Cn1nccc1[C@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552382694 1414444472 /nfs/dbraw/zinc/44/44/72/1414444472.db2.gz UFMIXJJFQINVNY-JXFKEZNVSA-N 1 3 346.519 2.884 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC001552525271 1414478308 /nfs/dbraw/zinc/47/83/08/1414478308.db2.gz LTBOXMWZXHERRJ-NLWGTHIKSA-N 1 3 346.519 2.788 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001552526681 1414479550 /nfs/dbraw/zinc/47/95/50/1414479550.db2.gz PLDJKVAVLLGEJH-GUDVDZBRSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC001552528973 1414480667 /nfs/dbraw/zinc/48/06/67/1414480667.db2.gz XNJBKTMGSSXXQR-NLWGTHIKSA-N 1 3 346.519 2.788 20 0 EFADHO COc1ccc2c(c1)C[C@@H](C)C[C@H]2NCc1cnn2c1C[N@H+](C)CC2 ZINC001552972690 1414627007 /nfs/dbraw/zinc/62/70/07/1414627007.db2.gz PFJGEFMZTFKYOP-AUUYWEPGSA-N 1 3 340.471 2.750 20 0 EFADHO COc1ccc2c(c1)C[C@@H](C)C[C@H]2NCc1cnn2c1C[N@@H+](C)CC2 ZINC001552972690 1414627013 /nfs/dbraw/zinc/62/70/13/1414627013.db2.gz PFJGEFMZTFKYOP-AUUYWEPGSA-N 1 3 340.471 2.750 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@H]2[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC001553024093 1414648528 /nfs/dbraw/zinc/64/85/28/1414648528.db2.gz JDXKBMVHNZORFQ-SYJBPTKTSA-N 1 3 329.488 2.578 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)c(OC)c3)CC2)CC1 ZINC001645848928 1416572989 /nfs/dbraw/zinc/57/29/89/1416572989.db2.gz JJVRWIXRDNSZGB-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO C[NH2+][C@@H](C)CCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC001645848653 1416573281 /nfs/dbraw/zinc/57/32/81/1416573281.db2.gz FXKDCJCJAXOCNP-UONOGXRCSA-N 1 3 325.884 2.665 20 0 EFADHO CC(CN1CCC[C@@H](C(C)(C)O)C1)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001646136326 1416618427 /nfs/dbraw/zinc/61/84/27/1416618427.db2.gz PMQWQLNHGSUWTI-QZTJIDSGSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CCC[C@@H](C(C)(C)O)C1)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001646136326 1416618430 /nfs/dbraw/zinc/61/84/30/1416618430.db2.gz PMQWQLNHGSUWTI-QZTJIDSGSA-N 1 3 340.552 2.588 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)s1 ZINC001690108509 1417155922 /nfs/dbraw/zinc/15/59/22/1417155922.db2.gz CMWYFRIMGVLOOQ-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000133348292 1417298566 /nfs/dbraw/zinc/29/85/66/1417298566.db2.gz HFGLGUNSBNWIPP-UHFFFAOYSA-N 1 3 345.487 2.881 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000136589287 1417301021 /nfs/dbraw/zinc/30/10/21/1417301021.db2.gz LCVSBPVCQASBBA-VQTJNVASSA-N 1 3 345.487 2.503 20 0 EFADHO CCCn1c2ccccc2nc1CNC1CC[NH+](CCN(C)C)CC1 ZINC000237020036 1418481605 /nfs/dbraw/zinc/48/16/05/1418481605.db2.gz YYGAFOXEXXEARY-UHFFFAOYSA-N 1 3 343.519 2.562 20 0 EFADHO CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001716343988 1418788063 /nfs/dbraw/zinc/78/80/63/1418788063.db2.gz NFQSLYPHJCSYAG-QWUACUGRSA-N 1 3 331.504 2.714 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl)CC(C)(C)C ZINC001717145364 1419236454 /nfs/dbraw/zinc/23/64/54/1419236454.db2.gz MNTKVZAXNWUECI-SOIVGHGOSA-N 1 3 329.916 2.688 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001723053326 1424412110 /nfs/dbraw/zinc/41/21/10/1424412110.db2.gz VSOUWCUVTXEXTC-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+]C/C=C\c2ccccc2)CCC1 ZINC001723905197 1424607713 /nfs/dbraw/zinc/60/77/13/1424607713.db2.gz CVLAFQLRIRAEFI-PVABEOQZSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001724749873 1424979498 /nfs/dbraw/zinc/97/94/98/1424979498.db2.gz CLVJVLNNPZNNMM-FCOHOZNESA-N 1 3 329.916 2.590 20 0 EFADHO O=C(NC[C@H]1CCCCCN1Cc1ccsc1)C12CC[NH+](CC1)C2 ZINC000969118413 712912266 /nfs/dbraw/zinc/91/22/66/712912266.db2.gz OJPBFWOKJRWPEL-QGZVFWFLSA-N 1 3 347.528 2.705 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144682 712933905 /nfs/dbraw/zinc/93/39/05/712933905.db2.gz QTGOPKUOXMXDPP-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144682 712933906 /nfs/dbraw/zinc/93/39/06/712933906.db2.gz QTGOPKUOXMXDPP-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969170721 712951550 /nfs/dbraw/zinc/95/15/50/712951550.db2.gz VNHMTYUHFRTBSS-IAGOWNOFSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000969170721 712951553 /nfs/dbraw/zinc/95/15/53/712951553.db2.gz VNHMTYUHFRTBSS-IAGOWNOFSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001020508732 713093520 /nfs/dbraw/zinc/09/35/20/713093520.db2.gz AVJRQXHVFWGMBX-OTRWWLKZSA-N 1 3 349.906 2.807 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001020508732 713093523 /nfs/dbraw/zinc/09/35/23/713093523.db2.gz AVJRQXHVFWGMBX-OTRWWLKZSA-N 1 3 349.906 2.807 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc2c(c1)CCC2 ZINC000969595042 713183175 /nfs/dbraw/zinc/18/31/75/713183175.db2.gz MJXXPBNLKMPGAN-CWFSZBLJSA-N 1 3 341.499 2.521 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969654508 713206029 /nfs/dbraw/zinc/20/60/29/713206029.db2.gz QNNMNEVBXNZFBK-MAUKXSAKSA-N 1 3 335.536 2.732 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC000969690059 713218696 /nfs/dbraw/zinc/21/86/96/713218696.db2.gz NUDYEHRRCCELSJ-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC000969690059 713218698 /nfs/dbraw/zinc/21/86/98/713218698.db2.gz NUDYEHRRCCELSJ-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969794499 713262840 /nfs/dbraw/zinc/26/28/40/713262840.db2.gz WHWCOFFSUQHBHW-QAPCUYQASA-N 1 3 335.536 2.734 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969794075 713264200 /nfs/dbraw/zinc/26/42/00/713264200.db2.gz UTEDGTNSFJYHLS-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001020587400 713266514 /nfs/dbraw/zinc/26/65/14/713266514.db2.gz DPWRUFMMLJGMJJ-FZKCQIBNSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001020587822 713266681 /nfs/dbraw/zinc/26/66/81/713266681.db2.gz WADYIUQKPVELDP-UDTPNQRGSA-N 1 3 347.478 2.998 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c(Cl)c1 ZINC001020588442 713266824 /nfs/dbraw/zinc/26/68/24/713266824.db2.gz ATJIHYZELKAYMA-XIRDDKMYSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588482 713266837 /nfs/dbraw/zinc/26/68/37/713266837.db2.gz CKIIMBQYTPKWBE-BZZMCLGOSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588484 713266930 /nfs/dbraw/zinc/26/69/30/713266930.db2.gz CKIIMBQYTPKWBE-RANZSIQMSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020589142 713267203 /nfs/dbraw/zinc/26/72/03/713267203.db2.gz XUQMTMGAPVPGOG-FSPWUOQZSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586577 713267390 /nfs/dbraw/zinc/26/73/90/713267390.db2.gz RQXVWUOVZARKTQ-BZUAXINKSA-N 1 3 349.906 2.870 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001020590415 713267966 /nfs/dbraw/zinc/26/79/66/713267966.db2.gz VNQLQLMAVLOLCH-UDTPNQRGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001020590047 713268659 /nfs/dbraw/zinc/26/86/59/713268659.db2.gz KXAGDLXOQLFRHJ-UKBAYJJMSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCc4ccccc43)C2)C1 ZINC001020589998 713268796 /nfs/dbraw/zinc/26/87/96/713268796.db2.gz JRIKPKBTELGQLB-TXJVSEOTSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001020591095 713269704 /nfs/dbraw/zinc/26/97/04/713269704.db2.gz DITMCEWAROBKPQ-ZTFGCOKTSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834311 713275928 /nfs/dbraw/zinc/27/59/28/713275928.db2.gz WTTTYTXRHZFQIC-IEBWSBKVSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834311 713275929 /nfs/dbraw/zinc/27/59/29/713275929.db2.gz WTTTYTXRHZFQIC-IEBWSBKVSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC000969845265 713280228 /nfs/dbraw/zinc/28/02/28/713280228.db2.gz XTHARYCPQZDKDB-BMGDILEWSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000969845376 713280350 /nfs/dbraw/zinc/28/03/50/713280350.db2.gz AMWVQZUSBGQUKD-ZHALLVOQSA-N 1 3 331.504 2.833 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)COCC2CCCCC2)CC1 ZINC000932421099 713287078 /nfs/dbraw/zinc/28/70/78/713287078.db2.gz MMEQZJYKYJCAEP-LJQANCHMSA-N 1 3 339.568 2.978 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC000969954208 713321373 /nfs/dbraw/zinc/32/13/73/713321373.db2.gz BNWYYUYSUPLZES-PKOBYXMFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000969954220 713321406 /nfs/dbraw/zinc/32/14/06/713321406.db2.gz CBQGYEPHKJHVDE-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(CF)cc3)C2)C1 ZINC000969965154 713324836 /nfs/dbraw/zinc/32/48/36/713324836.db2.gz MUHCGHGAPSIPQO-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC000969965724 713324959 /nfs/dbraw/zinc/32/49/59/713324959.db2.gz VHWSVXJDUMIFMU-MJGOQNOKSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000969967694 713328466 /nfs/dbraw/zinc/32/84/66/713328466.db2.gz IRKQSOLWQBNEKO-PKOBYXMFSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000969967997 713328574 /nfs/dbraw/zinc/32/85/74/713328574.db2.gz LHSHOXJBQIHNAL-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC000969985152 713334195 /nfs/dbraw/zinc/33/41/95/713334195.db2.gz CRQYPQROZQCABI-BEVDRBHNSA-N 1 3 343.515 2.767 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC000969985038 713334291 /nfs/dbraw/zinc/33/42/91/713334291.db2.gz AETKPQDGHOFJAT-CVEARBPZSA-N 1 3 339.430 2.655 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000969985622 713334459 /nfs/dbraw/zinc/33/44/59/713334459.db2.gz JXYWLRCSDCVQKR-MJGOQNOKSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC000969991598 713336754 /nfs/dbraw/zinc/33/67/54/713336754.db2.gz KPYXEASYHBODSW-CJNGLKHVSA-N 1 3 341.858 2.510 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001020675736 713344556 /nfs/dbraw/zinc/34/45/56/713344556.db2.gz CTOJOVHKLLYFAP-JFIYKMOQSA-N 1 3 349.544 2.790 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN([C@H](C)c2ccccc2)C1 ZINC000970049975 713360387 /nfs/dbraw/zinc/36/03/87/713360387.db2.gz JKRKKSQFNIMLTG-IAGOWNOFSA-N 1 3 341.499 2.813 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970051917 713361901 /nfs/dbraw/zinc/36/19/01/713361901.db2.gz UUEBEXPGBZJBRE-QGZVFWFLSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001027893952 717898769 /nfs/dbraw/zinc/89/87/69/717898769.db2.gz GZNYJNCIBGFOQN-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001027893952 717898775 /nfs/dbraw/zinc/89/87/75/717898775.db2.gz GZNYJNCIBGFOQN-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020927710 713442007 /nfs/dbraw/zinc/44/20/07/713442007.db2.gz OYZFFLQWWFATHO-DKIMLUQUSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020981068 713466156 /nfs/dbraw/zinc/46/61/56/713466156.db2.gz YMEFGDYRUSEYPS-WKILWMFISA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001020981237 713466428 /nfs/dbraw/zinc/46/64/28/713466428.db2.gz BULAGIUXWDDWJO-QAQDUYKDSA-N 1 3 340.471 2.821 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001021088410 713561101 /nfs/dbraw/zinc/56/11/01/713561101.db2.gz PPBCWKWKZWGHFX-CAMMJAKZSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001021091067 713562874 /nfs/dbraw/zinc/56/28/74/713562874.db2.gz RJHXHEJUWLNWPO-ZULIPRJHSA-N 1 3 343.515 2.913 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001021090741 713562986 /nfs/dbraw/zinc/56/29/86/713562986.db2.gz JQYNLFOZZMAYFO-XNFNUYLZSA-N 1 3 343.515 2.859 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001021092692 713563502 /nfs/dbraw/zinc/56/35/02/713563502.db2.gz QCQQDIFBQRFQGX-FHWLQOOXSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001021094392 713564231 /nfs/dbraw/zinc/56/42/31/713564231.db2.gz PXTPLULWVMYAKJ-BZSNNMDCSA-N 1 3 349.544 2.976 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001021094338 713564255 /nfs/dbraw/zinc/56/42/55/713564255.db2.gz NZTDEJNLIGVDSB-VAMGGRTRSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001021094723 713564888 /nfs/dbraw/zinc/56/48/88/713564888.db2.gz ZLYAROXOCAOZBS-YKTARERQSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001021096739 713575036 /nfs/dbraw/zinc/57/50/36/713575036.db2.gz WPQLRRUQJPRTHJ-YHUYYLMFSA-N 1 3 343.462 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001021096492 713575243 /nfs/dbraw/zinc/57/52/43/713575243.db2.gz UXEBTUJOOGUKCL-KZNAEPCWSA-N 1 3 349.906 2.951 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000970325325 713635531 /nfs/dbraw/zinc/63/55/31/713635531.db2.gz DMPOSCMAXPETGT-SCTDSRPQSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000970325325 713635535 /nfs/dbraw/zinc/63/55/35/713635535.db2.gz DMPOSCMAXPETGT-SCTDSRPQSA-N 1 3 343.515 2.662 20 0 EFADHO C[C@H](NC(=O)c1occc1CN(C)C)C1C[NH+](Cc2ccsc2)C1 ZINC000970338744 713640735 /nfs/dbraw/zinc/64/07/35/713640735.db2.gz HDAUXVUYTLFIIS-ZDUSSCGKSA-N 1 3 347.484 2.653 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1cccc(F)c1 ZINC000970335600 713644787 /nfs/dbraw/zinc/64/47/87/713644787.db2.gz SHRYWEVBUIWNNO-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC1 ZINC000970336018 713644977 /nfs/dbraw/zinc/64/49/77/713644977.db2.gz WTVYRCMFSVXAGY-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000970336023 713644996 /nfs/dbraw/zinc/64/49/96/713644996.db2.gz WVACKDIRUWUDMD-RBUKOAKNSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000970366992 713667084 /nfs/dbraw/zinc/66/70/84/713667084.db2.gz OYJMCCSZYSCKNY-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC000970371104 713669465 /nfs/dbraw/zinc/66/94/65/713669465.db2.gz BCKVNSXXTZEZPD-CVEARBPZSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1cc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000970372908 713671397 /nfs/dbraw/zinc/67/13/97/713671397.db2.gz XEQHNMZDFPBJGG-AWEZNQCLSA-N 1 3 349.544 2.643 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970428584 713707243 /nfs/dbraw/zinc/70/72/43/713707243.db2.gz PZCWFAKPTYLXLW-QGZVFWFLSA-N 1 3 343.515 2.807 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021254266 713713952 /nfs/dbraw/zinc/71/39/52/713713952.db2.gz JUPNGDFCLPZFNS-OBIGICAZSA-N 1 3 339.911 2.723 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021254266 713713955 /nfs/dbraw/zinc/71/39/55/713713955.db2.gz JUPNGDFCLPZFNS-OBIGICAZSA-N 1 3 339.911 2.723 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021274368 713726177 /nfs/dbraw/zinc/72/61/77/713726177.db2.gz UZLWVPRWYKAYQK-XVLXNVKGSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021274368 713726179 /nfs/dbraw/zinc/72/61/79/713726179.db2.gz UZLWVPRWYKAYQK-XVLXNVKGSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl)[NH+]1CCCC1 ZINC001021343476 713814745 /nfs/dbraw/zinc/81/47/45/713814745.db2.gz MOHWIGLRMIDJPU-ATHRFCMUSA-N 1 3 339.911 2.725 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021400360 713873621 /nfs/dbraw/zinc/87/36/21/713873621.db2.gz VGJCBXZIMWCUHU-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021400360 713873624 /nfs/dbraw/zinc/87/36/24/713873624.db2.gz VGJCBXZIMWCUHU-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001021447844 713924708 /nfs/dbraw/zinc/92/47/08/713924708.db2.gz FKNAZXPXEXHJGU-ALOPSCKCSA-N 1 3 344.503 2.808 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001021447844 713924709 /nfs/dbraw/zinc/92/47/09/713924709.db2.gz FKNAZXPXEXHJGU-ALOPSCKCSA-N 1 3 344.503 2.808 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC000970719891 713933688 /nfs/dbraw/zinc/93/36/88/713933688.db2.gz MQTDCJWEYKANAO-WMLDXEAASA-N 1 3 335.879 2.687 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC000970799760 714003991 /nfs/dbraw/zinc/00/39/91/714003991.db2.gz HXFJMPAOQAVHNA-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000970800107 714009412 /nfs/dbraw/zinc/00/94/12/714009412.db2.gz LOZVVVBWVMBJCV-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](F)CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970915679 714130788 /nfs/dbraw/zinc/13/07/88/714130788.db2.gz GZWXMQSGZIHDJP-HUUCEWRRSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CC(C)C2)C1 ZINC000970918574 714133623 /nfs/dbraw/zinc/13/36/23/714133623.db2.gz VOEPJWWVEZVURH-UPTPFMHGSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000970927760 714142985 /nfs/dbraw/zinc/14/29/85/714142985.db2.gz GFVGQYRMFDXLTJ-INIZCTEOSA-N 1 3 329.488 2.765 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000970928823 714143938 /nfs/dbraw/zinc/14/39/38/714143938.db2.gz MJYNHKDGORUHGI-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000970928829 714144060 /nfs/dbraw/zinc/14/40/60/714144060.db2.gz MJYNHKDGORUHGI-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](F)CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929656 714146512 /nfs/dbraw/zinc/14/65/12/714146512.db2.gz SBPRCRDEYRKDEB-CABCVRRESA-N 1 3 335.467 2.546 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@H+](CC4CCC4)CC[C@H]32)C1 ZINC001021669913 714271640 /nfs/dbraw/zinc/27/16/40/714271640.db2.gz ICVQPSDKYMBNLL-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CC4CCC4)CC[C@H]32)C1 ZINC001021669913 714271643 /nfs/dbraw/zinc/27/16/43/714271643.db2.gz ICVQPSDKYMBNLL-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670760 714273583 /nfs/dbraw/zinc/27/35/83/714273583.db2.gz OHWPUUZKYRQTOW-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021670760 714273586 /nfs/dbraw/zinc/27/35/86/714273586.db2.gz OHWPUUZKYRQTOW-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001021676845 714285657 /nfs/dbraw/zinc/28/56/57/714285657.db2.gz FGBMMSQSHCRSSK-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001021676845 714285659 /nfs/dbraw/zinc/28/56/59/714285659.db2.gz FGBMMSQSHCRSSK-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001021676638 714286765 /nfs/dbraw/zinc/28/67/65/714286765.db2.gz DAAUNPNMGAAJSP-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@H]21 ZINC001021676638 714286768 /nfs/dbraw/zinc/28/67/68/714286768.db2.gz DAAUNPNMGAAJSP-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2)CN1C(=O)OC(C)(C)C ZINC000399005659 717969669 /nfs/dbraw/zinc/96/96/69/717969669.db2.gz XVLDEOOEELTQST-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H]1CC[C@@H](NCCC[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC000399005659 717969674 /nfs/dbraw/zinc/96/96/74/717969674.db2.gz XVLDEOOEELTQST-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO CCO[C@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](OCC)C2)C1 ZINC000932970633 714376527 /nfs/dbraw/zinc/37/65/27/714376527.db2.gz XMIOZOJHVDMJOF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CCO[C@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](OCC)C2)C1 ZINC000932970633 714376530 /nfs/dbraw/zinc/37/65/30/714376530.db2.gz XMIOZOJHVDMJOF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742936 714412748 /nfs/dbraw/zinc/41/27/48/714412748.db2.gz NLIFQEPZBULPSQ-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742936 714412750 /nfs/dbraw/zinc/41/27/50/714412750.db2.gz NLIFQEPZBULPSQ-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200185 714461402 /nfs/dbraw/zinc/46/14/02/714461402.db2.gz FOEBLDCZRFRAIY-AZUAARDMSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200185 714461405 /nfs/dbraw/zinc/46/14/05/714461405.db2.gz FOEBLDCZRFRAIY-AZUAARDMSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2Cl)C1 ZINC000971202488 714462586 /nfs/dbraw/zinc/46/25/86/714462586.db2.gz XOOSDXFCATZTBL-WMZOPIPTSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)C1 ZINC000971202488 714462587 /nfs/dbraw/zinc/46/25/87/714462587.db2.gz XOOSDXFCATZTBL-WMZOPIPTSA-N 1 3 349.906 2.509 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000971202359 714462605 /nfs/dbraw/zinc/46/26/05/714462605.db2.gz VATPHOZESBOPID-UYAOXDASSA-N 1 3 343.515 2.739 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)c1 ZINC000971202359 714462606 /nfs/dbraw/zinc/46/26/06/714462606.db2.gz VATPHOZESBOPID-UYAOXDASSA-N 1 3 343.515 2.739 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251867 717980908 /nfs/dbraw/zinc/98/09/08/717980908.db2.gz GZXRDSWKDUOZKS-YTQUADARSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251867 717980911 /nfs/dbraw/zinc/98/09/11/717980911.db2.gz GZXRDSWKDUOZKS-YTQUADARSA-N 1 3 343.515 2.989 20 0 EFADHO C[NH+](C)CCCCCCCNC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000891443418 714699266 /nfs/dbraw/zinc/69/92/66/714699266.db2.gz ZXDXIUIQGSCRFB-LJQANCHMSA-N 1 3 346.519 2.512 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971560860 714707918 /nfs/dbraw/zinc/70/79/18/714707918.db2.gz MRILWLHVCQJRKT-ATZDWAIDSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560860 714707921 /nfs/dbraw/zinc/70/79/21/714707921.db2.gz MRILWLHVCQJRKT-ATZDWAIDSA-N 1 3 347.478 2.507 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971563634 714709484 /nfs/dbraw/zinc/70/94/84/714709484.db2.gz PDSZQPJYQDFBKD-ZTFGCOKTSA-N 1 3 349.906 2.713 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971563634 714709487 /nfs/dbraw/zinc/70/94/87/714709487.db2.gz PDSZQPJYQDFBKD-ZTFGCOKTSA-N 1 3 349.906 2.713 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)N(C)C)cc1 ZINC000891447094 714711253 /nfs/dbraw/zinc/71/12/53/714711253.db2.gz UERQGNPIJAOKEE-ZWKOTPCHSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001022070714 714722524 /nfs/dbraw/zinc/72/25/24/714722524.db2.gz YYPXMYIEDVQKSM-OTWHNJEPSA-N 1 3 333.520 2.987 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)N3CCCCC3)C2)c1 ZINC001022077042 714731055 /nfs/dbraw/zinc/73/10/55/714731055.db2.gz ISPUDTWSLCEWKG-KDURUIRLSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000891459114 714764221 /nfs/dbraw/zinc/76/42/21/714764221.db2.gz IPJBYWKGDFFJJT-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000891475690 714776245 /nfs/dbraw/zinc/77/62/45/714776245.db2.gz JBSFMHVCKBRJSU-PKOBYXMFSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000971641053 714796837 /nfs/dbraw/zinc/79/68/37/714796837.db2.gz KZFQNJRRUBVICJ-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000971641053 714796839 /nfs/dbraw/zinc/79/68/39/714796839.db2.gz KZFQNJRRUBVICJ-QZTJIDSGSA-N 1 3 349.544 2.964 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022202372 714866802 /nfs/dbraw/zinc/86/68/02/714866802.db2.gz XTVVBYADMGCBIP-FGTMMUONSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1 ZINC001022202372 714866804 /nfs/dbraw/zinc/86/68/04/714866804.db2.gz XTVVBYADMGCBIP-FGTMMUONSA-N 1 3 347.478 2.825 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674726 714870547 /nfs/dbraw/zinc/87/05/47/714870547.db2.gz VTIZURALHHDXEW-YJBOKZPZSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674726 714870549 /nfs/dbraw/zinc/87/05/49/714870549.db2.gz VTIZURALHHDXEW-YJBOKZPZSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000971673598 714872664 /nfs/dbraw/zinc/87/26/64/714872664.db2.gz ILQSHAZAXYNBHC-QGZVFWFLSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000971673598 714872666 /nfs/dbraw/zinc/87/26/66/714872666.db2.gz ILQSHAZAXYNBHC-QGZVFWFLSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971676237 714873816 /nfs/dbraw/zinc/87/38/16/714873816.db2.gz DVZUXZGFOKDQPN-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971676237 714873818 /nfs/dbraw/zinc/87/38/18/714873818.db2.gz DVZUXZGFOKDQPN-WOJBJXKFSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677351 714874546 /nfs/dbraw/zinc/87/45/46/714874546.db2.gz JEMOUYDCRZLMQG-QZTJIDSGSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677351 714874547 /nfs/dbraw/zinc/87/45/47/714874547.db2.gz JEMOUYDCRZLMQG-QZTJIDSGSA-N 1 3 349.544 2.738 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CCC1 ZINC000971678409 714875372 /nfs/dbraw/zinc/87/53/72/714875372.db2.gz MKGUDBQPQFBXTH-KRWDZBQOSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CCC1 ZINC000971678409 714875374 /nfs/dbraw/zinc/87/53/74/714875374.db2.gz MKGUDBQPQFBXTH-KRWDZBQOSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CCC1 ZINC000971678411 714875488 /nfs/dbraw/zinc/87/54/88/714875488.db2.gz MKGUDBQPQFBXTH-QGZVFWFLSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CCC1 ZINC000971678411 714875490 /nfs/dbraw/zinc/87/54/90/714875490.db2.gz MKGUDBQPQFBXTH-QGZVFWFLSA-N 1 3 349.906 2.857 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000971679034 714876713 /nfs/dbraw/zinc/87/67/13/714876713.db2.gz QESUUAIKCVFVEJ-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000971679034 714876714 /nfs/dbraw/zinc/87/67/14/714876714.db2.gz QESUUAIKCVFVEJ-PMACEKPBSA-N 1 3 343.515 2.622 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679179 714876922 /nfs/dbraw/zinc/87/69/22/714876922.db2.gz RVBUIWTXCDMXQG-SFHVURJKSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971679179 714876923 /nfs/dbraw/zinc/87/69/23/714876923.db2.gz RVBUIWTXCDMXQG-SFHVURJKSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CCC1 ZINC000971679869 714877693 /nfs/dbraw/zinc/87/76/93/714877693.db2.gz WEYIRMWFIDXOKT-KRWDZBQOSA-N 1 3 349.906 2.857 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CCC1 ZINC000971679869 714877695 /nfs/dbraw/zinc/87/76/95/714877695.db2.gz WEYIRMWFIDXOKT-KRWDZBQOSA-N 1 3 349.906 2.857 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688247 714883444 /nfs/dbraw/zinc/88/34/44/714883444.db2.gz VAJMPSKJXNAUTH-QUCCMNQESA-N 1 3 341.499 2.691 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688247 714883446 /nfs/dbraw/zinc/88/34/46/714883446.db2.gz VAJMPSKJXNAUTH-QUCCMNQESA-N 1 3 341.499 2.691 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971688558 714883639 /nfs/dbraw/zinc/88/36/39/714883639.db2.gz XOTJKPWQSFSDAH-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971688558 714883642 /nfs/dbraw/zinc/88/36/42/714883642.db2.gz XOTJKPWQSFSDAH-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971685742 714884948 /nfs/dbraw/zinc/88/49/48/714884948.db2.gz OWMCBLHVTCZOOR-OALUTQOASA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000971685977 714885310 /nfs/dbraw/zinc/88/53/10/714885310.db2.gz PXLAGWWAYREFJV-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000971685977 714885312 /nfs/dbraw/zinc/88/53/12/714885312.db2.gz PXLAGWWAYREFJV-UXHICEINSA-N 1 3 343.515 2.676 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686015 714885335 /nfs/dbraw/zinc/88/53/35/714885335.db2.gz QHZWWUOYZYNUDH-RTBURBONSA-N 1 3 347.478 2.529 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686015 714885337 /nfs/dbraw/zinc/88/53/37/714885337.db2.gz QHZWWUOYZYNUDH-RTBURBONSA-N 1 3 347.478 2.529 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686235 714885769 /nfs/dbraw/zinc/88/57/69/714885769.db2.gz ASAZLHRMQLONPU-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686235 714885772 /nfs/dbraw/zinc/88/57/72/714885772.db2.gz ASAZLHRMQLONPU-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO CC1CCC(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000971686724 714886299 /nfs/dbraw/zinc/88/62/99/714886299.db2.gz FPERYHNLFIDXER-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000971686724 714886301 /nfs/dbraw/zinc/88/63/01/714886301.db2.gz FPERYHNLFIDXER-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000971686723 714886460 /nfs/dbraw/zinc/88/64/60/714886460.db2.gz FPERYHNLFIDXER-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000971686723 714886462 /nfs/dbraw/zinc/88/64/62/714886462.db2.gz FPERYHNLFIDXER-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971687378 714886896 /nfs/dbraw/zinc/88/68/96/714886896.db2.gz YSGAQVJKPNNYFZ-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC000971687378 714886898 /nfs/dbraw/zinc/88/68/98/714886898.db2.gz YSGAQVJKPNNYFZ-UXHICEINSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689864 714887779 /nfs/dbraw/zinc/88/77/79/714887779.db2.gz NSVIXMVUFVWOST-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689864 714887782 /nfs/dbraw/zinc/88/77/82/714887782.db2.gz NSVIXMVUFVWOST-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689438 714887996 /nfs/dbraw/zinc/88/79/96/714887996.db2.gz ICVVTYOEVJEBLZ-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689438 714887998 /nfs/dbraw/zinc/88/79/98/714887998.db2.gz ICVVTYOEVJEBLZ-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000891638354 714889790 /nfs/dbraw/zinc/88/97/90/714889790.db2.gz JSFXTMCOLXANLE-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(C)C1 ZINC000891648946 714899104 /nfs/dbraw/zinc/89/91/04/714899104.db2.gz VVPUELJRDBYGPU-LJQANCHMSA-N 1 3 344.503 2.518 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971728885 714918538 /nfs/dbraw/zinc/91/85/38/714918538.db2.gz GOMGVMDRKJVAIH-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971728885 714918539 /nfs/dbraw/zinc/91/85/39/714918539.db2.gz GOMGVMDRKJVAIH-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1F ZINC000971735729 714921957 /nfs/dbraw/zinc/92/19/57/714921957.db2.gz LTHDJLKSHIULCF-MJGOQNOKSA-N 1 3 349.494 2.753 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000971735918 714923967 /nfs/dbraw/zinc/92/39/67/714923967.db2.gz OSQYMLLSXJMTHN-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000971735918 714923969 /nfs/dbraw/zinc/92/39/69/714923969.db2.gz OSQYMLLSXJMTHN-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000971777195 714950347 /nfs/dbraw/zinc/95/03/47/714950347.db2.gz BSSIIQLWLIXKHA-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000971777195 714950350 /nfs/dbraw/zinc/95/03/50/714950350.db2.gz BSSIIQLWLIXKHA-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000971778196 714956571 /nfs/dbraw/zinc/95/65/71/714956571.db2.gz KUXHRVNUSQCIIF-AZUAARDMSA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000971778196 714956572 /nfs/dbraw/zinc/95/65/72/714956572.db2.gz KUXHRVNUSQCIIF-AZUAARDMSA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000971785437 714958691 /nfs/dbraw/zinc/95/86/91/714958691.db2.gz UZSRTLMKFZNLBK-PKOBYXMFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000971785437 714958693 /nfs/dbraw/zinc/95/86/93/714958693.db2.gz UZSRTLMKFZNLBK-PKOBYXMFSA-N 1 3 331.504 2.676 20 0 EFADHO CN1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000891722525 714976407 /nfs/dbraw/zinc/97/64/07/714976407.db2.gz DYSGYGZSXAZHBB-FGTMMUONSA-N 1 3 344.503 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC000971800710 714989800 /nfs/dbraw/zinc/98/98/00/714989800.db2.gz LLAMCMCQILOFOI-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC000971800710 714989803 /nfs/dbraw/zinc/98/98/03/714989803.db2.gz LLAMCMCQILOFOI-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO COc1ccc2nccc(NC3CC[NH+](C[C@H]4CCCO4)CC3)c2c1 ZINC000891814746 715034618 /nfs/dbraw/zinc/03/46/18/715034618.db2.gz HUALAHPNCSOLFU-QGZVFWFLSA-N 1 3 341.455 2.721 20 0 EFADHO CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCN(C)C1 ZINC000891895822 715099631 /nfs/dbraw/zinc/09/96/31/715099631.db2.gz OHQLNGSDCDNQRS-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000892153813 715277594 /nfs/dbraw/zinc/27/75/94/715277594.db2.gz SYNXCJAVVIMFES-UZLBHIALSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000892153813 715277595 /nfs/dbraw/zinc/27/75/95/715277595.db2.gz SYNXCJAVVIMFES-UZLBHIALSA-N 1 3 347.551 2.539 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000926372518 715310273 /nfs/dbraw/zinc/31/02/73/715310273.db2.gz IYYJPNSYZJGLGM-PKOBYXMFSA-N 1 3 338.536 2.654 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042983 715337836 /nfs/dbraw/zinc/33/78/36/715337836.db2.gz SYBZMAXDFZVZHL-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1CCC(F)(F)F ZINC000947493180 715357513 /nfs/dbraw/zinc/35/75/13/715357513.db2.gz QGMONJCOBNKFQG-ZIAGYGMSSA-N 1 3 347.425 2.536 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001022712286 715407999 /nfs/dbraw/zinc/40/79/99/715407999.db2.gz ONWSWXDKGQARMJ-YSHGAJCASA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001022712220 715408210 /nfs/dbraw/zinc/40/82/10/715408210.db2.gz MRQBDZANWJJEAI-WOGUSJMUSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001022712214 715408492 /nfs/dbraw/zinc/40/84/92/715408492.db2.gz MQOJYFWKFYROAL-CUYVQJCZSA-N 1 3 345.462 2.534 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001027068900 715408835 /nfs/dbraw/zinc/40/88/35/715408835.db2.gz GZZSBNNHALJJSP-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001027069136 715409691 /nfs/dbraw/zinc/40/96/91/715409691.db2.gz LPXSUXNXHYMTTO-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001027069125 715409785 /nfs/dbraw/zinc/40/97/85/715409785.db2.gz LGPXNALVJCVHNO-QUCCMNQESA-N 1 3 345.531 2.890 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001022712213 715411076 /nfs/dbraw/zinc/41/10/76/715411076.db2.gz MQOJYFWKFYROAL-BKEDOTJMSA-N 1 3 345.462 2.534 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)C1 ZINC001022713272 715411406 /nfs/dbraw/zinc/41/14/06/715411406.db2.gz JRIKPKBTELGQLB-LBKNJMOBSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001022712399 715411598 /nfs/dbraw/zinc/41/15/98/715411598.db2.gz QCECXSSVHJVXRI-WKCGWZECSA-N 1 3 345.462 2.534 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001022712549 715411690 /nfs/dbraw/zinc/41/16/90/715411690.db2.gz TTYDPGGDNGLMEH-QRQLOZEOSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063516 715416024 /nfs/dbraw/zinc/41/60/24/715416024.db2.gz MUQXSWZSRSFNPA-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001027063575 715416598 /nfs/dbraw/zinc/41/65/98/715416598.db2.gz NTBBHLBFVNASCT-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001027063759 715416607 /nfs/dbraw/zinc/41/66/07/715416607.db2.gz RHIZWTGSYHKPGZ-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1Cl ZINC001022713589 715416623 /nfs/dbraw/zinc/41/66/23/715416623.db2.gz KXKJHJCCHYYMLW-QXSJWSMHSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001027063762 715416719 /nfs/dbraw/zinc/41/67/19/715416719.db2.gz RHIZWTGSYHKPGZ-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1F ZINC001027064223 715417902 /nfs/dbraw/zinc/41/79/02/715417902.db2.gz ZJZCXOUVXGQCKX-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001022713697 715418755 /nfs/dbraw/zinc/41/87/55/715418755.db2.gz LMMJVKLETAKGLT-YSGRDPCXSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC001027064809 715418902 /nfs/dbraw/zinc/41/89/02/715418902.db2.gz KTFYJGZCGFYBKO-WMLDXEAASA-N 1 3 349.544 2.645 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(Cl)c1 ZINC001022713753 715419058 /nfs/dbraw/zinc/41/90/58/715419058.db2.gz MCSCTPPMCIRFSM-NONVJHHQSA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027065150 715419828 /nfs/dbraw/zinc/41/98/28/715419828.db2.gz RQHALKMVZHANNE-ZWKOTPCHSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001027065396 715420980 /nfs/dbraw/zinc/42/09/80/715420980.db2.gz XYJPIVNBFBHYPL-NVXWUHKLSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065447 715421386 /nfs/dbraw/zinc/42/13/86/715421386.db2.gz YWJOWOQCFLGCJG-HKUYNNGSSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001027065618 715421418 /nfs/dbraw/zinc/42/14/18/715421418.db2.gz BUNPSBFHGLXQFZ-IBGZPJMESA-N 1 3 343.515 2.665 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001027065884 715422058 /nfs/dbraw/zinc/42/20/58/715422058.db2.gz GLFXZXCDCCRMKI-INIZCTEOSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001027066249 715422538 /nfs/dbraw/zinc/42/25/38/715422538.db2.gz NFFNNTLWUVDZNS-LJQANCHMSA-N 1 3 343.515 2.665 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001027066584 715422794 /nfs/dbraw/zinc/42/27/94/715422794.db2.gz UPABEACSXHJQIU-QGZVFWFLSA-N 1 3 347.547 2.737 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)cc1 ZINC000974991244 715422927 /nfs/dbraw/zinc/42/29/27/715422927.db2.gz CDPOVIUSFUPRQI-LJQANCHMSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022715030 715424925 /nfs/dbraw/zinc/42/49/25/715424925.db2.gz CKIIMBQYTPKWBE-SPUZQDLCSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022716487 715433147 /nfs/dbraw/zinc/43/31/47/715433147.db2.gz XUQMTMGAPVPGOG-DOPJRALCSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718297 715439039 /nfs/dbraw/zinc/43/90/39/715439039.db2.gz BONXDJTUKVUTAE-AIANPOQGSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001022718297 715439041 /nfs/dbraw/zinc/43/90/41/715439041.db2.gz BONXDJTUKVUTAE-AIANPOQGSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718298 715439150 /nfs/dbraw/zinc/43/91/50/715439150.db2.gz BONXDJTUKVUTAE-LJIGWXMPSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001022718298 715439154 /nfs/dbraw/zinc/43/91/54/715439154.db2.gz BONXDJTUKVUTAE-LJIGWXMPSA-N 1 3 349.906 2.583 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2C[C@@H](O)C23CCOCC3)CC1 ZINC000895915373 724392224 /nfs/dbraw/zinc/39/22/24/724392224.db2.gz VYKLKEFJEDESOY-QXCFHYIPSA-N 1 3 336.520 2.549 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001027069829 715492629 /nfs/dbraw/zinc/49/26/29/715492629.db2.gz CIDGDOGFZPOFFS-RDJZCZTQSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001027069849 715493553 /nfs/dbraw/zinc/49/35/53/715493553.db2.gz CRUGWDPEUDHXJX-RDJZCZTQSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001027070887 715495229 /nfs/dbraw/zinc/49/52/29/715495229.db2.gz ZRVCLDWLAYMLKB-JXFKEZNVSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(Cl)cc1 ZINC001027089724 715541667 /nfs/dbraw/zinc/54/16/67/715541667.db2.gz CAEVSZBJOFIAMG-UONOGXRCSA-N 1 3 346.862 2.805 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1Cl ZINC001027090109 715542322 /nfs/dbraw/zinc/54/23/22/715542322.db2.gz KMAXQEVAHWRLPU-KGLIPLIRSA-N 1 3 346.862 2.805 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001027091090 715544579 /nfs/dbraw/zinc/54/45/79/715544579.db2.gz DBCGQQAWYQSAJH-CQSZACIVSA-N 1 3 348.397 2.528 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234726 715574613 /nfs/dbraw/zinc/57/46/13/715574613.db2.gz JBNPTIUMRFYTHS-SFHVURJKSA-N 1 3 349.906 2.715 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972265574 715612468 /nfs/dbraw/zinc/61/24/68/715612468.db2.gz MSNRZYMIFZCVBX-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972265574 715612469 /nfs/dbraw/zinc/61/24/69/715612469.db2.gz MSNRZYMIFZCVBX-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cs1 ZINC000972265579 715612557 /nfs/dbraw/zinc/61/25/57/715612557.db2.gz MVRQIKCJCQNPKK-IAGOWNOFSA-N 1 3 337.533 2.675 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001027139285 715682804 /nfs/dbraw/zinc/68/28/04/715682804.db2.gz FKLBSSWCFYLLHE-RTBURBONSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001027139327 715682925 /nfs/dbraw/zinc/68/29/25/715682925.db2.gz GFMAVRNMOZSJEZ-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC001027139418 715682955 /nfs/dbraw/zinc/68/29/55/715682955.db2.gz IFCZCAQFQGLUBF-KRWDZBQOSA-N 1 3 349.544 2.727 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC001027139419 715682978 /nfs/dbraw/zinc/68/29/78/715682978.db2.gz IFCZCAQFQGLUBF-QGZVFWFLSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001027139283 715683002 /nfs/dbraw/zinc/68/30/02/715683002.db2.gz FKLBSSWCFYLLHE-OALUTQOASA-N 1 3 343.515 2.918 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972330093 715697584 /nfs/dbraw/zinc/69/75/84/715697584.db2.gz DLQHLTYMAWADPO-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972330093 715697589 /nfs/dbraw/zinc/69/75/89/715697589.db2.gz DLQHLTYMAWADPO-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972330090 715697701 /nfs/dbraw/zinc/69/77/01/715697701.db2.gz DLQHLTYMAWADPO-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972330090 715697704 /nfs/dbraw/zinc/69/77/04/715697704.db2.gz DLQHLTYMAWADPO-HKUYNNGSSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972329732 715699271 /nfs/dbraw/zinc/69/92/71/715699271.db2.gz AKLDLYOFMJJBJL-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972329732 715699274 /nfs/dbraw/zinc/69/92/74/715699274.db2.gz AKLDLYOFMJJBJL-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329732 715699279 /nfs/dbraw/zinc/69/92/79/715699279.db2.gz AKLDLYOFMJJBJL-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329732 715699282 /nfs/dbraw/zinc/69/92/82/715699282.db2.gz AKLDLYOFMJJBJL-APWZRJJASA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)s1 ZINC000972331175 715700082 /nfs/dbraw/zinc/70/00/82/715700082.db2.gz IRWJDRADKACDAW-KDOFPFPSSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(C)s1 ZINC000972331175 715700084 /nfs/dbraw/zinc/70/00/84/715700084.db2.gz IRWJDRADKACDAW-KDOFPFPSSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972331275 715700316 /nfs/dbraw/zinc/70/03/16/715700316.db2.gz JAHHGTHDWSBCQA-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972331275 715700318 /nfs/dbraw/zinc/70/03/18/715700318.db2.gz JAHHGTHDWSBCQA-ICSRJNTNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cc1F ZINC000972330776 715701845 /nfs/dbraw/zinc/70/18/45/715701845.db2.gz HCXMJNVLUZDZCM-SJLPKXTDSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1F ZINC000972330776 715701851 /nfs/dbraw/zinc/70/18/51/715701851.db2.gz HCXMJNVLUZDZCM-SJLPKXTDSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972332051 715702195 /nfs/dbraw/zinc/70/21/95/715702195.db2.gz AHDOOHQUFLJOGP-VQIMIIECSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972332051 715702197 /nfs/dbraw/zinc/70/21/97/715702197.db2.gz AHDOOHQUFLJOGP-VQIMIIECSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000972331379 715702402 /nfs/dbraw/zinc/70/24/02/715702402.db2.gz KHRQHWPDHBEPBA-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000972331379 715702407 /nfs/dbraw/zinc/70/24/07/715702407.db2.gz KHRQHWPDHBEPBA-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO C[N@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972332287 715702515 /nfs/dbraw/zinc/70/25/15/715702515.db2.gz PCJPIAWZTMLHGG-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO C[N@@H+](CC1=CCCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972332287 715702522 /nfs/dbraw/zinc/70/25/22/715702522.db2.gz PCJPIAWZTMLHGG-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000972331362 715702815 /nfs/dbraw/zinc/70/28/15/715702815.db2.gz KHRQHWPDHBEPBA-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000972331362 715702818 /nfs/dbraw/zinc/70/28/18/715702818.db2.gz KHRQHWPDHBEPBA-HKUYNNGSSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972331406 715703577 /nfs/dbraw/zinc/70/35/77/715703577.db2.gz KOZSGUISOWDKFV-UYAOXDASSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972331406 715703580 /nfs/dbraw/zinc/70/35/80/715703580.db2.gz KOZSGUISOWDKFV-UYAOXDASSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972331404 715703947 /nfs/dbraw/zinc/70/39/47/715703947.db2.gz KOZSGUISOWDKFV-QUCCMNQESA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972331404 715703950 /nfs/dbraw/zinc/70/39/50/715703950.db2.gz KOZSGUISOWDKFV-QUCCMNQESA-N 1 3 343.515 2.555 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC000972331486 715704155 /nfs/dbraw/zinc/70/41/55/715704155.db2.gz LIYRDJLTHPDQGC-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC000972331486 715704161 /nfs/dbraw/zinc/70/41/61/715704161.db2.gz LIYRDJLTHPDQGC-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC4(CCC4)C3)C2)CC1 ZINC001027139683 715705558 /nfs/dbraw/zinc/70/55/58/715705558.db2.gz OQZIPWXXXSVOAJ-SFHVURJKSA-N 1 3 347.547 2.737 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001027139861 715706208 /nfs/dbraw/zinc/70/62/08/715706208.db2.gz TZCQPCCPDLQVLG-UUKMXZOPSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334160 715707275 /nfs/dbraw/zinc/70/72/75/715707275.db2.gz DZJXCTDXVATXJE-CRAIPNDOSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N(C)Cc3ccc(Cl)cc3)C2)C1 ZINC000972334160 715707280 /nfs/dbraw/zinc/70/72/80/715707280.db2.gz DZJXCTDXVATXJE-CRAIPNDOSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972333902 715707672 /nfs/dbraw/zinc/70/76/72/715707672.db2.gz ZDOFFXDOSOBCFO-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972333902 715707676 /nfs/dbraw/zinc/70/76/76/715707676.db2.gz ZDOFFXDOSOBCFO-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333297 715709713 /nfs/dbraw/zinc/70/97/13/715709713.db2.gz VICKPAGSTMXGMX-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972333297 715709715 /nfs/dbraw/zinc/70/97/15/715709715.db2.gz VICKPAGSTMXGMX-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO C[N@H+](CCc1cccs1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338180 715714998 /nfs/dbraw/zinc/71/49/98/715714998.db2.gz DVDCUVXEFTUGGF-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO C[N@@H+](CCc1cccs1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338180 715715002 /nfs/dbraw/zinc/71/50/02/715715002.db2.gz DVDCUVXEFTUGGF-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972341120 715719020 /nfs/dbraw/zinc/71/90/20/715719020.db2.gz ZREFUHUMORYCNF-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972341120 715719023 /nfs/dbraw/zinc/71/90/23/715719023.db2.gz ZREFUHUMORYCNF-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)s1 ZINC000972339974 715720376 /nfs/dbraw/zinc/72/03/76/715720376.db2.gz QAZDLHJPAYZXII-RDTXWAMCSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c(C)s1 ZINC000972339974 715720378 /nfs/dbraw/zinc/72/03/78/715720378.db2.gz QAZDLHJPAYZXII-RDTXWAMCSA-N 1 3 349.544 2.739 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000178633283 715729318 /nfs/dbraw/zinc/72/93/18/715729318.db2.gz CJXLQRDHFMGNAH-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000178633283 715729323 /nfs/dbraw/zinc/72/93/23/715729323.db2.gz CJXLQRDHFMGNAH-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001022807966 715730128 /nfs/dbraw/zinc/73/01/28/715730128.db2.gz PNBWDRSMDUAVHM-ZCNNSNEGSA-N 1 3 343.515 2.995 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972352937 715737432 /nfs/dbraw/zinc/73/74/32/715737432.db2.gz DSSSKPBYQHAWKF-PMACEKPBSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972352937 715737435 /nfs/dbraw/zinc/73/74/35/715737435.db2.gz DSSSKPBYQHAWKF-PMACEKPBSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000972354227 715739761 /nfs/dbraw/zinc/73/97/61/715739761.db2.gz KUXHRVNUSQCIIF-ICSRJNTNSA-N 1 3 345.531 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC000972354227 715739763 /nfs/dbraw/zinc/73/97/63/715739763.db2.gz KUXHRVNUSQCIIF-ICSRJNTNSA-N 1 3 345.531 2.985 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000972354600 715741063 /nfs/dbraw/zinc/74/10/63/715741063.db2.gz NUNAYMXAASMNRN-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000972354600 715741066 /nfs/dbraw/zinc/74/10/66/715741066.db2.gz NUNAYMXAASMNRN-OALUTQOASA-N 1 3 331.504 2.622 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001022837212 715777935 /nfs/dbraw/zinc/77/79/35/715777935.db2.gz RNTGEWCGWHJTND-NTDBWNAOSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001022837212 715777938 /nfs/dbraw/zinc/77/79/38/715777938.db2.gz RNTGEWCGWHJTND-NTDBWNAOSA-N 1 3 345.462 2.579 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001027441199 715810188 /nfs/dbraw/zinc/81/01/88/715810188.db2.gz AYXKSHGVEMNMTR-LJQANCHMSA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C1CCC1 ZINC001027441199 715810192 /nfs/dbraw/zinc/81/01/92/715810192.db2.gz AYXKSHGVEMNMTR-LJQANCHMSA-N 1 3 329.488 2.594 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001027443195 715816534 /nfs/dbraw/zinc/81/65/34/715816534.db2.gz JRVLSTBDFCQTCU-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001027443195 715816537 /nfs/dbraw/zinc/81/65/37/715816537.db2.gz JRVLSTBDFCQTCU-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444291 715819958 /nfs/dbraw/zinc/81/99/58/715819958.db2.gz QTPHPCPHOHARQE-MOPGFXCFSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444291 715819962 /nfs/dbraw/zinc/81/99/62/715819962.db2.gz QTPHPCPHOHARQE-MOPGFXCFSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444288 715820180 /nfs/dbraw/zinc/82/01/80/715820180.db2.gz QTFXFCNEKGUTQK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444288 715820185 /nfs/dbraw/zinc/82/01/85/715820185.db2.gz QTFXFCNEKGUTQK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444287 715820509 /nfs/dbraw/zinc/82/05/09/715820509.db2.gz QTFXFCNEKGUTQK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444287 715820512 /nfs/dbraw/zinc/82/05/12/715820512.db2.gz QTFXFCNEKGUTQK-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001027442481 715823555 /nfs/dbraw/zinc/82/35/55/715823555.db2.gz VSFJXRDCIDAGFM-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001027442481 715823559 /nfs/dbraw/zinc/82/35/59/715823559.db2.gz VSFJXRDCIDAGFM-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425720 715878210 /nfs/dbraw/zinc/87/82/10/715878210.db2.gz HRKZHOHNUQAPMR-WMZOPIPTSA-N 1 3 340.471 2.863 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425720 715878215 /nfs/dbraw/zinc/87/82/15/715878215.db2.gz HRKZHOHNUQAPMR-WMZOPIPTSA-N 1 3 340.471 2.863 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027461539 715892284 /nfs/dbraw/zinc/89/22/84/715892284.db2.gz MOSPEGZVQPVHIX-PKOBYXMFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001027461539 715892289 /nfs/dbraw/zinc/89/22/89/715892289.db2.gz MOSPEGZVQPVHIX-PKOBYXMFSA-N 1 3 349.494 2.897 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217287 715921486 /nfs/dbraw/zinc/92/14/86/715921486.db2.gz HMWFBHFFSBAMQI-HXUWFJFHSA-N 1 3 343.515 2.673 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001027217690 715921500 /nfs/dbraw/zinc/92/15/00/715921500.db2.gz ODWHZSKBQLAHBU-IBGZPJMESA-N 1 3 343.515 2.646 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(Cl)c1 ZINC001027218193 715922089 /nfs/dbraw/zinc/92/20/89/715922089.db2.gz ZSBQQBIQIPZKCQ-INIZCTEOSA-N 1 3 349.906 2.682 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218105 715922112 /nfs/dbraw/zinc/92/21/12/715922112.db2.gz XTPJZRWIMNAHHQ-GOSISDBHSA-N 1 3 343.515 2.844 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027218098 715922217 /nfs/dbraw/zinc/92/22/17/715922217.db2.gz XNPVEGXBLMOZGL-QZTJIDSGSA-N 1 3 329.488 2.590 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027235768 715949324 /nfs/dbraw/zinc/94/93/24/715949324.db2.gz VBQXUCCDPPWFLX-RBUKOAKNSA-N 1 3 333.520 2.799 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001027235752 715949422 /nfs/dbraw/zinc/94/94/22/715949422.db2.gz UVZOZJNOZWCPLL-ADKAHSJRSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001027235563 715949553 /nfs/dbraw/zinc/94/95/53/715949553.db2.gz SISHQKGLKUIMSU-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027235767 715949634 /nfs/dbraw/zinc/94/96/34/715949634.db2.gz VBQXUCCDPPWFLX-OALUTQOASA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001027235992 715949978 /nfs/dbraw/zinc/94/99/78/715949978.db2.gz ZOQAVLXHSYDUKN-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000985468028 724437645 /nfs/dbraw/zinc/43/76/45/724437645.db2.gz OBYGRWAOTPYZQD-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000985468028 724437646 /nfs/dbraw/zinc/43/76/46/724437646.db2.gz OBYGRWAOTPYZQD-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248796 716013376 /nfs/dbraw/zinc/01/33/76/716013376.db2.gz PSKBMNNEJXTGIC-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248796 716013380 /nfs/dbraw/zinc/01/33/80/716013380.db2.gz PSKBMNNEJXTGIC-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CC3CC4(CCC4)C3)CC2)CCC1 ZINC000985468962 724442536 /nfs/dbraw/zinc/44/25/36/724442536.db2.gz CMJOAEMIZLBWFU-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CC3CC4(CCC4)C3)CC2)CCC1 ZINC000985468962 724442538 /nfs/dbraw/zinc/44/25/38/724442538.db2.gz CMJOAEMIZLBWFU-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC1 ZINC000977214534 716022766 /nfs/dbraw/zinc/02/27/66/716022766.db2.gz DWSCELAZNWULKK-IBGZPJMESA-N 1 3 343.515 2.745 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001023024980 716093658 /nfs/dbraw/zinc/09/36/58/716093658.db2.gz OXFFTCKWLQSPLX-CALCHBBNSA-N 1 3 338.455 2.575 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001023123112 716161983 /nfs/dbraw/zinc/16/19/83/716161983.db2.gz PPBCWKWKZWGHFX-PBWTXFEYSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001023123187 716162310 /nfs/dbraw/zinc/16/23/10/716162310.db2.gz RJHXHEJUWLNWPO-TZRIAGMCSA-N 1 3 343.515 2.913 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001023124314 716163026 /nfs/dbraw/zinc/16/30/26/716163026.db2.gz FPKYKUDCWBBWHK-RGCFKVTRSA-N 1 3 347.478 2.766 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001023124165 716163097 /nfs/dbraw/zinc/16/30/97/716163097.db2.gz ARIPRLLPKFTALI-CPLUKWAASA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1C ZINC001023125106 716163488 /nfs/dbraw/zinc/16/34/88/716163488.db2.gz MXSFWXSDIPRCPL-TZRIAGMCSA-N 1 3 343.515 2.913 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001023124630 716163511 /nfs/dbraw/zinc/16/35/11/716163511.db2.gz JQYNLFOZZMAYFO-SMOSDQRPSA-N 1 3 343.515 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001023128550 716164882 /nfs/dbraw/zinc/16/48/82/716164882.db2.gz JMJXCVYYFNDZOO-DQEVTTJGSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001023128553 716164929 /nfs/dbraw/zinc/16/49/29/716164929.db2.gz JMJXCVYYFNDZOO-WQANXHIZSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001023128633 716165109 /nfs/dbraw/zinc/16/51/09/716165109.db2.gz MUTZYCXEYJHVSZ-FZDIXFNVSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001023128634 716165168 /nfs/dbraw/zinc/16/51/68/716165168.db2.gz MUTZYCXEYJHVSZ-OAOYMFHYSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001023130700 716165747 /nfs/dbraw/zinc/16/57/47/716165747.db2.gz BBSXBDFQLOQWDH-ZIFCJYIRSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001023131029 716166176 /nfs/dbraw/zinc/16/61/76/716166176.db2.gz UCEAKPSQEBKDPJ-ZIFCJYIRSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001023130999 716166302 /nfs/dbraw/zinc/16/63/02/716166302.db2.gz RXXVOQPOIDTHGD-HSALFYBXSA-N 1 3 343.515 2.915 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106728 723140320 /nfs/dbraw/zinc/14/03/20/723140320.db2.gz WNFROQSKQJROMH-MAUKXSAKSA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106728 723140322 /nfs/dbraw/zinc/14/03/22/723140322.db2.gz WNFROQSKQJROMH-MAUKXSAKSA-N 1 3 335.492 2.581 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCSC[C@@H]2C(C)(C)C)CC1 ZINC000931591552 716287448 /nfs/dbraw/zinc/28/74/48/716287448.db2.gz CHGCQKSMPVXBBQ-QGZVFWFLSA-N 1 3 327.582 2.866 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCSC[C@@H]2C(C)(C)C)CC1 ZINC000931591552 716287449 /nfs/dbraw/zinc/28/74/49/716287449.db2.gz CHGCQKSMPVXBBQ-QGZVFWFLSA-N 1 3 327.582 2.866 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027652255 716338576 /nfs/dbraw/zinc/33/85/76/716338576.db2.gz PPZROECBAUIDCU-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027652255 716338581 /nfs/dbraw/zinc/33/85/81/716338581.db2.gz PPZROECBAUIDCU-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650572 716339011 /nfs/dbraw/zinc/33/90/11/716339011.db2.gz HGAFWMUXQGMJQM-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO CN(Cc1ccsc1)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650572 716339016 /nfs/dbraw/zinc/33/90/16/716339016.db2.gz HGAFWMUXQGMJQM-RDJZCZTQSA-N 1 3 335.517 2.513 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269996 716367684 /nfs/dbraw/zinc/36/76/84/716367684.db2.gz RLXUWKCRLLZSPT-WOJBJXKFSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977592632 716373033 /nfs/dbraw/zinc/37/30/33/716373033.db2.gz ZXZROYOSTBSCPJ-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977592632 716373040 /nfs/dbraw/zinc/37/30/40/716373040.db2.gz ZXZROYOSTBSCPJ-MOPGFXCFSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594612 716375544 /nfs/dbraw/zinc/37/55/44/716375544.db2.gz FGNHZLLNBGIVCZ-RDJZCZTQSA-N 1 3 349.544 2.643 20 0 EFADHO Cc1cc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c(C)s1 ZINC000977594612 716375545 /nfs/dbraw/zinc/37/55/45/716375545.db2.gz FGNHZLLNBGIVCZ-RDJZCZTQSA-N 1 3 349.544 2.643 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365239 716385557 /nfs/dbraw/zinc/38/55/57/716385557.db2.gz AKRUJMQYKWEOBZ-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365239 716385560 /nfs/dbraw/zinc/38/55/60/716385560.db2.gz AKRUJMQYKWEOBZ-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605412 716391785 /nfs/dbraw/zinc/39/17/85/716391785.db2.gz YBCDAFWDABDLKW-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605412 716391792 /nfs/dbraw/zinc/39/17/92/716391792.db2.gz YBCDAFWDABDLKW-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@H+](CCC3CC3)CC2(C)C)c1 ZINC000977637510 716415903 /nfs/dbraw/zinc/41/59/03/716415903.db2.gz GKSNFSQGCNOXFJ-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[N@@H+](CCC3CC3)CC2(C)C)c1 ZINC000977637510 716415906 /nfs/dbraw/zinc/41/59/06/716415906.db2.gz GKSNFSQGCNOXFJ-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622227 716422990 /nfs/dbraw/zinc/42/29/90/716422990.db2.gz QGPXLLSAXGPIPK-MAUKXSAKSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622227 716422991 /nfs/dbraw/zinc/42/29/91/716422991.db2.gz QGPXLLSAXGPIPK-MAUKXSAKSA-N 1 3 349.494 2.937 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402695 716423646 /nfs/dbraw/zinc/42/36/46/716423646.db2.gz QYIYZZXGSNNIQT-GJZGRUSLSA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402695 716423649 /nfs/dbraw/zinc/42/36/49/716423649.db2.gz QYIYZZXGSNNIQT-GJZGRUSLSA-N 1 3 349.441 2.641 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC2(C)C)c1 ZINC000977639675 716430563 /nfs/dbraw/zinc/43/05/63/716430563.db2.gz KKUBSVNWBQQAQK-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](CC3CC3)CC2(C)C)c1 ZINC000977639675 716430569 /nfs/dbraw/zinc/43/05/69/716430569.db2.gz KKUBSVNWBQQAQK-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978794743 716443414 /nfs/dbraw/zinc/44/34/14/716443414.db2.gz FFLZNBRVANNBFS-AKHDSKFASA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978794743 716443417 /nfs/dbraw/zinc/44/34/17/716443417.db2.gz FFLZNBRVANNBFS-AKHDSKFASA-N 1 3 349.563 2.980 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027682235 716500283 /nfs/dbraw/zinc/50/02/83/716500283.db2.gz MPRBUQXPXPFNKY-KRWDZBQOSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCCC3)C2)cs1 ZINC001027682235 716500287 /nfs/dbraw/zinc/50/02/87/716500287.db2.gz MPRBUQXPXPFNKY-KRWDZBQOSA-N 1 3 335.517 2.575 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555726 716520131 /nfs/dbraw/zinc/52/01/31/716520131.db2.gz SHOFBRILMCPJDI-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](N(C)Cc2cccc(F)c2)C1)[NH+](C)C ZINC001027561963 716567499 /nfs/dbraw/zinc/56/74/99/716567499.db2.gz GWTIGTRIYHLEHW-RTBURBONSA-N 1 3 349.494 2.835 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027575682 716705113 /nfs/dbraw/zinc/70/51/13/716705113.db2.gz CDNFXXVFPCFMFU-FXAWDEMLSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027575682 716705118 /nfs/dbraw/zinc/70/51/18/716705118.db2.gz CDNFXXVFPCFMFU-FXAWDEMLSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027575998 716708282 /nfs/dbraw/zinc/70/82/82/716708282.db2.gz IBMSUEPVGJZORA-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027575998 716708287 /nfs/dbraw/zinc/70/82/87/716708287.db2.gz IBMSUEPVGJZORA-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577076 716709792 /nfs/dbraw/zinc/70/97/92/716709792.db2.gz CWECMHBOLWCCRU-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001027577076 716709795 /nfs/dbraw/zinc/70/97/95/716709795.db2.gz CWECMHBOLWCCRU-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027576361 716711758 /nfs/dbraw/zinc/71/17/58/716711758.db2.gz NNSPRSKCUNXNEL-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027576361 716711761 /nfs/dbraw/zinc/71/17/61/716711761.db2.gz NNSPRSKCUNXNEL-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027576363 716711853 /nfs/dbraw/zinc/71/18/53/716711853.db2.gz NNSPRSKCUNXNEL-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027576363 716711856 /nfs/dbraw/zinc/71/18/56/716711856.db2.gz NNSPRSKCUNXNEL-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576424 716713098 /nfs/dbraw/zinc/71/30/98/716713098.db2.gz OTRGPAMCNANHLD-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027576424 716713102 /nfs/dbraw/zinc/71/31/02/716713102.db2.gz OTRGPAMCNANHLD-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cs1 ZINC001027576428 716713118 /nfs/dbraw/zinc/71/31/18/716713118.db2.gz OUIOYYPAFWSNFR-MAUKXSAKSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cs1 ZINC001027576428 716713122 /nfs/dbraw/zinc/71/31/22/716713122.db2.gz OUIOYYPAFWSNFR-MAUKXSAKSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC001027576502 716713153 /nfs/dbraw/zinc/71/31/53/716713153.db2.gz PWEQXKUWLMEETM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC001027576502 716713157 /nfs/dbraw/zinc/71/31/57/716713157.db2.gz PWEQXKUWLMEETM-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576529 716714623 /nfs/dbraw/zinc/71/46/23/716714623.db2.gz QKIMWECFQATYJU-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576529 716714628 /nfs/dbraw/zinc/71/46/28/716714628.db2.gz QKIMWECFQATYJU-MJGOQNOKSA-N 1 3 333.520 2.751 20 0 EFADHO C[N@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577808 716727072 /nfs/dbraw/zinc/72/70/72/716727072.db2.gz UNAJEOCQXPQBSI-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577808 716727076 /nfs/dbraw/zinc/72/70/76/716727076.db2.gz UNAJEOCQXPQBSI-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027578169 716745847 /nfs/dbraw/zinc/74/58/47/716745847.db2.gz FPFHRTVMQZTXDB-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027578169 716745852 /nfs/dbraw/zinc/74/58/52/716745852.db2.gz FPFHRTVMQZTXDB-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027583663 716793062 /nfs/dbraw/zinc/79/30/62/716793062.db2.gz YLFCKFDWACIZHX-MOPGFXCFSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027583663 716793066 /nfs/dbraw/zinc/79/30/66/716793066.db2.gz YLFCKFDWACIZHX-MOPGFXCFSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023677092 716803554 /nfs/dbraw/zinc/80/35/54/716803554.db2.gz BXVHNHRCJNFAQY-SJLPKXTDSA-N 1 3 341.515 2.683 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCN(CC3CCC(C)(C)CC3)CC2)CC1 ZINC000950007602 716866133 /nfs/dbraw/zinc/86/61/33/716866133.db2.gz UPTKLYAODMTZBC-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593924 716874486 /nfs/dbraw/zinc/87/44/86/716874486.db2.gz AAUWMDKTCLKBJL-WMZOPIPTSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027593924 716874489 /nfs/dbraw/zinc/87/44/89/716874489.db2.gz AAUWMDKTCLKBJL-WMZOPIPTSA-N 1 3 340.471 2.945 20 0 EFADHO C[N@H+]([C@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594643 716878848 /nfs/dbraw/zinc/87/88/48/716878848.db2.gz LAYICUFGNHFTKV-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594643 716878852 /nfs/dbraw/zinc/87/88/52/716878852.db2.gz LAYICUFGNHFTKV-HKUYNNGSSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@H+]([C@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594645 716879173 /nfs/dbraw/zinc/87/91/73/716879173.db2.gz LAYICUFGNHFTKV-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@H]1CCc2ccccc21)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594645 716879177 /nfs/dbraw/zinc/87/91/77/716879177.db2.gz LAYICUFGNHFTKV-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000978225060 716914254 /nfs/dbraw/zinc/91/42/54/716914254.db2.gz BBRDSCVXAKPTJQ-OKYOBFRVSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000978225060 716914257 /nfs/dbraw/zinc/91/42/57/716914257.db2.gz BBRDSCVXAKPTJQ-OKYOBFRVSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027602581 716931428 /nfs/dbraw/zinc/93/14/28/716931428.db2.gz XUYFMYLFDLLRIG-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602581 716931431 /nfs/dbraw/zinc/93/14/31/716931431.db2.gz XUYFMYLFDLLRIG-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763322 716975109 /nfs/dbraw/zinc/97/51/09/716975109.db2.gz IRJBPMBXHJVWSD-IRXDYDNUSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763322 716975111 /nfs/dbraw/zinc/97/51/11/716975111.db2.gz IRJBPMBXHJVWSD-IRXDYDNUSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001023763379 716975696 /nfs/dbraw/zinc/97/56/96/716975696.db2.gz LPAVTZNTTZFCKV-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023763379 716975701 /nfs/dbraw/zinc/97/57/01/716975701.db2.gz LPAVTZNTTZFCKV-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763713 716977659 /nfs/dbraw/zinc/97/76/59/716977659.db2.gz YZYNBHYENJLMFB-AEFFLSMTSA-N 1 3 349.494 2.938 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001023890250 717109863 /nfs/dbraw/zinc/10/98/63/717109863.db2.gz WNIHHSAFJKLVMT-YJBOKZPZSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001023890245 717110031 /nfs/dbraw/zinc/11/00/31/717110031.db2.gz WNIHHSAFJKLVMT-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734132 717160984 /nfs/dbraw/zinc/16/09/84/717160984.db2.gz VXPZALBPISVWOK-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734132 717160985 /nfs/dbraw/zinc/16/09/85/717160985.db2.gz VXPZALBPISVWOK-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001024016220 717212569 /nfs/dbraw/zinc/21/25/69/717212569.db2.gz BCAPBEWXYYCEGR-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC(C)(C)C2)C1)C1CC1 ZINC001024019174 717216574 /nfs/dbraw/zinc/21/65/74/717216574.db2.gz VXFWKYXUGFVGPJ-CRAIPNDOSA-N 1 3 335.536 2.591 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001024019143 717216722 /nfs/dbraw/zinc/21/67/22/717216722.db2.gz VMWGXOFOCSHFMK-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404742 717218137 /nfs/dbraw/zinc/21/81/37/717218137.db2.gz CRCRDUINPVQFKX-HKUYNNGSSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980404742 717218142 /nfs/dbraw/zinc/21/81/42/717218142.db2.gz CRCRDUINPVQFKX-HKUYNNGSSA-N 1 3 329.488 2.685 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406076 717219380 /nfs/dbraw/zinc/21/93/80/717219380.db2.gz MYXMGBZLQRLHAZ-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406076 717219383 /nfs/dbraw/zinc/21/93/83/717219383.db2.gz MYXMGBZLQRLHAZ-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001024038236 717248844 /nfs/dbraw/zinc/24/88/44/717248844.db2.gz FUMJCCSQYMVKBV-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475610 717315667 /nfs/dbraw/zinc/31/56/67/717315667.db2.gz HQZDXEYUWKTSNM-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475610 717315671 /nfs/dbraw/zinc/31/56/71/717315671.db2.gz HQZDXEYUWKTSNM-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980478330 717321463 /nfs/dbraw/zinc/32/14/63/717321463.db2.gz OJQUNTPTCBBRRI-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485403 717328336 /nfs/dbraw/zinc/32/83/36/717328336.db2.gz JJBDUQJSLZYTRR-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000980485403 717328339 /nfs/dbraw/zinc/32/83/39/717328339.db2.gz JJBDUQJSLZYTRR-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC000979718723 717377946 /nfs/dbraw/zinc/37/79/46/717377946.db2.gz WDZQPBZAUZJALF-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC000979718723 717377951 /nfs/dbraw/zinc/37/79/51/717377951.db2.gz WDZQPBZAUZJALF-CEXWTWQISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001024139896 717388361 /nfs/dbraw/zinc/38/83/61/717388361.db2.gz QPBFBSUXXTXTFE-RTBURBONSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001024139170 717396796 /nfs/dbraw/zinc/39/67/96/717396796.db2.gz FLFQLGQLQWQFEH-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024139868 717402354 /nfs/dbraw/zinc/40/23/54/717402354.db2.gz PWZSEEWUEMPOSW-PKOBYXMFSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024155838 717449855 /nfs/dbraw/zinc/44/98/55/717449855.db2.gz AQYHENWFSLPAGD-PKOBYXMFSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001024156059 717450522 /nfs/dbraw/zinc/45/05/22/717450522.db2.gz HSQJMZFFODQFTO-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001024156078 717450531 /nfs/dbraw/zinc/45/05/31/717450531.db2.gz HUQYCVOZROENIN-SJORKVTESA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001024156786 717451640 /nfs/dbraw/zinc/45/16/40/717451640.db2.gz UDCOBIIOFVACHN-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001024156752 717451731 /nfs/dbraw/zinc/45/17/31/717451731.db2.gz SSOSWFDXWRIOLS-ROUUACIJSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001024156788 717451769 /nfs/dbraw/zinc/45/17/69/717451769.db2.gz UDCOBIIOFVACHN-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001024156793 717451793 /nfs/dbraw/zinc/45/17/93/717451793.db2.gz UIYKXIGISKLKHY-IAGOWNOFSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001024159479 717454490 /nfs/dbraw/zinc/45/44/90/717454490.db2.gz GZHLRNLNIZKRLT-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001024161987 717456701 /nfs/dbraw/zinc/45/67/01/717456701.db2.gz QBAZUHCZNCFDBE-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1F ZINC001024178850 717476910 /nfs/dbraw/zinc/47/69/10/717476910.db2.gz GBPNIGGWEOGVIT-HUUCEWRRSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180331 717479723 /nfs/dbraw/zinc/47/97/23/717479723.db2.gz VYUMWIGDOUSJEI-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024185800 717484499 /nfs/dbraw/zinc/48/44/99/717484499.db2.gz HAISNTUJLNAQJU-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000980606936 717487487 /nfs/dbraw/zinc/48/74/87/717487487.db2.gz JEZMOURHOIEYRK-ZBFHGGJFSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608012 717489197 /nfs/dbraw/zinc/48/91/97/717489197.db2.gz XZYYNIBBVBARFO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1)C1CC1 ZINC000985471443 724445491 /nfs/dbraw/zinc/44/54/91/724445491.db2.gz VAUQYKPCQXXDOJ-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1)C1CC1 ZINC000985471443 724445492 /nfs/dbraw/zinc/44/54/92/724445492.db2.gz VAUQYKPCQXXDOJ-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703371 717608468 /nfs/dbraw/zinc/60/84/68/717608468.db2.gz FAOGVZWJQXEFRE-MAUKXSAKSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980703821 717609025 /nfs/dbraw/zinc/60/90/25/717609025.db2.gz JIKOZYHNELYSLX-HOTGVXAUSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980704387 717609660 /nfs/dbraw/zinc/60/96/60/717609660.db2.gz NSLAGPPNATWORM-IAGOWNOFSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000980707815 717615076 /nfs/dbraw/zinc/61/50/76/717615076.db2.gz GXQACAZBEUYRLW-SJORKVTESA-N 1 3 340.471 2.596 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000980708329 717615656 /nfs/dbraw/zinc/61/56/56/717615656.db2.gz JYSFGCOKUYHYHS-MAUKXSAKSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000980708331 717615762 /nfs/dbraw/zinc/61/57/62/717615762.db2.gz JYSFGCOKUYHYHS-YJBOKZPZSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709698 717641665 /nfs/dbraw/zinc/64/16/65/717641665.db2.gz ZOSPJBBCYNMZCD-ZFWWWQNUSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001024446530 717729584 /nfs/dbraw/zinc/72/95/84/717729584.db2.gz DZNZTEIMWUOXHR-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001024446530 717729589 /nfs/dbraw/zinc/72/95/89/717729589.db2.gz DZNZTEIMWUOXHR-YZGWKJHDSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001024447144 717730187 /nfs/dbraw/zinc/73/01/87/717730187.db2.gz RLRLTCVLDNDWAO-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001024447144 717730190 /nfs/dbraw/zinc/73/01/90/717730190.db2.gz RLRLTCVLDNDWAO-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001024448544 717732317 /nfs/dbraw/zinc/73/23/17/717732317.db2.gz QHLCUJLGBJIRQS-HSALFYBXSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001024448544 717732319 /nfs/dbraw/zinc/73/23/19/717732319.db2.gz QHLCUJLGBJIRQS-HSALFYBXSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027878945 717743122 /nfs/dbraw/zinc/74/31/22/717743122.db2.gz KSGVWVOWCMTATN-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027878945 717743126 /nfs/dbraw/zinc/74/31/26/717743126.db2.gz KSGVWVOWCMTATN-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027879146 717743909 /nfs/dbraw/zinc/74/39/09/717743909.db2.gz NSRPLVQIIASCTO-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC001027879146 717743913 /nfs/dbraw/zinc/74/39/13/717743913.db2.gz NSRPLVQIIASCTO-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801716 717766314 /nfs/dbraw/zinc/76/63/14/717766314.db2.gz VZVQBMKRHYHPIF-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801715 717766540 /nfs/dbraw/zinc/76/65/40/717766540.db2.gz VZVQBMKRHYHPIF-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000980799507 717774037 /nfs/dbraw/zinc/77/40/37/717774037.db2.gz IIWYPJLJTHFVLJ-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980799434 717774065 /nfs/dbraw/zinc/77/40/65/717774065.db2.gz HTSAPYIJMNXLOW-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811163 717782200 /nfs/dbraw/zinc/78/22/00/717782200.db2.gz IQBWBHXMFNNNHU-MAUKXSAKSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811869 717789438 /nfs/dbraw/zinc/78/94/38/717789438.db2.gz SMILMERVFHPADI-VQIMIIECSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001029755153 724474785 /nfs/dbraw/zinc/47/47/85/724474785.db2.gz IOEZSXDTNALEMI-ICSRJNTNSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001029755153 724474789 /nfs/dbraw/zinc/47/47/89/724474789.db2.gz IOEZSXDTNALEMI-ICSRJNTNSA-N 1 3 343.515 2.616 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3F)C2)CCC1 ZINC001029754927 724474874 /nfs/dbraw/zinc/47/48/74/724474874.db2.gz FRAANXCCGBLPCD-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3F)C2)CCC1 ZINC001029754927 724474876 /nfs/dbraw/zinc/47/48/76/724474876.db2.gz FRAANXCCGBLPCD-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904212 724475058 /nfs/dbraw/zinc/47/50/58/724475058.db2.gz QDWHGUGACCCIIR-ZWKOTPCHSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904212 724475059 /nfs/dbraw/zinc/47/50/59/724475059.db2.gz QDWHGUGACCCIIR-ZWKOTPCHSA-N 1 3 329.488 2.624 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754654 724474023 /nfs/dbraw/zinc/47/40/23/724474023.db2.gz CDRGKSNXSIHPIU-VQIMIIECSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754654 724474025 /nfs/dbraw/zinc/47/40/25/724474025.db2.gz CDRGKSNXSIHPIU-VQIMIIECSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1)N1CCCC1 ZINC000980173703 717857329 /nfs/dbraw/zinc/85/73/29/717857329.db2.gz SBSTWLRWBWSPDD-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1)N1CCCC1 ZINC000980173703 717857331 /nfs/dbraw/zinc/85/73/31/717857331.db2.gz SBSTWLRWBWSPDD-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904053 724474399 /nfs/dbraw/zinc/47/43/99/724474399.db2.gz LEAYIQQTHKHKQF-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904053 724474402 /nfs/dbraw/zinc/47/44/02/724474402.db2.gz LEAYIQQTHKHKQF-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001029755222 724474442 /nfs/dbraw/zinc/47/44/42/724474442.db2.gz JZGIGNOCQOQIAD-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001029755222 724474443 /nfs/dbraw/zinc/47/44/43/724474443.db2.gz JZGIGNOCQOQIAD-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1 ZINC001024522419 717869300 /nfs/dbraw/zinc/86/93/00/717869300.db2.gz FVZPNXDMPMPISZ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001024522419 717869305 /nfs/dbraw/zinc/86/93/05/717869305.db2.gz FVZPNXDMPMPISZ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024522450 717869688 /nfs/dbraw/zinc/86/96/88/717869688.db2.gz GKDXWXBPLRBXMB-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024522450 717869690 /nfs/dbraw/zinc/86/96/90/717869690.db2.gz GKDXWXBPLRBXMB-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001029755746 724475233 /nfs/dbraw/zinc/47/52/33/724475233.db2.gz SOWNDYSYDZMPMV-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001029755746 724475236 /nfs/dbraw/zinc/47/52/36/724475236.db2.gz SOWNDYSYDZMPMV-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904456 724475451 /nfs/dbraw/zinc/47/54/51/724475451.db2.gz WRTOPJFHCRFJQA-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904456 724475455 /nfs/dbraw/zinc/47/54/55/724475455.db2.gz WRTOPJFHCRFJQA-IAGOWNOFSA-N 1 3 347.478 2.763 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCc2ccccc21 ZINC001029904466 724475652 /nfs/dbraw/zinc/47/56/52/724475652.db2.gz WYCCRSTXRHIKEM-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCc2ccccc21 ZINC001029904466 724475654 /nfs/dbraw/zinc/47/56/54/724475654.db2.gz WYCCRSTXRHIKEM-PXNSSMCTSA-N 1 3 341.499 2.550 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001029756040 724476588 /nfs/dbraw/zinc/47/65/88/724476588.db2.gz XFXXJLVDBPHFJH-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CCC1 ZINC001029756040 724476592 /nfs/dbraw/zinc/47/65/92/724476592.db2.gz XFXXJLVDBPHFJH-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905324 724478528 /nfs/dbraw/zinc/47/85/28/724478528.db2.gz LTKVZTLQXIAMDK-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905324 724478531 /nfs/dbraw/zinc/47/85/31/724478531.db2.gz LTKVZTLQXIAMDK-KRWDZBQOSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905587 724479035 /nfs/dbraw/zinc/47/90/35/724479035.db2.gz PJMBGDOLXHXBAL-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905587 724479039 /nfs/dbraw/zinc/47/90/39/724479039.db2.gz PJMBGDOLXHXBAL-RTBURBONSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027917467 718083147 /nfs/dbraw/zinc/08/31/47/718083147.db2.gz BFOBKHJNJHIRLG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027917467 718083149 /nfs/dbraw/zinc/08/31/49/718083149.db2.gz BFOBKHJNJHIRLG-WOJBJXKFSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024693001 718087243 /nfs/dbraw/zinc/08/72/43/718087243.db2.gz UWWKHYZBYFYMBB-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024693001 718087245 /nfs/dbraw/zinc/08/72/45/718087245.db2.gz UWWKHYZBYFYMBB-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024693005 718087271 /nfs/dbraw/zinc/08/72/71/718087271.db2.gz UWWKHYZBYFYMBB-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024693005 718087273 /nfs/dbraw/zinc/08/72/73/718087273.db2.gz UWWKHYZBYFYMBB-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001027917930 718091644 /nfs/dbraw/zinc/09/16/44/718091644.db2.gz HSKZXRSUFYFJDS-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001027917930 718091646 /nfs/dbraw/zinc/09/16/46/718091646.db2.gz HSKZXRSUFYFJDS-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027918246 718093441 /nfs/dbraw/zinc/09/34/41/718093441.db2.gz LDYCCFNIUAURHS-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027918246 718093444 /nfs/dbraw/zinc/09/34/44/718093444.db2.gz LDYCCFNIUAURHS-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029761328 724482120 /nfs/dbraw/zinc/48/21/20/724482120.db2.gz PUXNOOZKQVHPDE-WBVHZDCISA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029761328 724482126 /nfs/dbraw/zinc/48/21/26/724482126.db2.gz PUXNOOZKQVHPDE-WBVHZDCISA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029761737 724482312 /nfs/dbraw/zinc/48/23/12/724482312.db2.gz ZNWUJEJQHYDXDV-MOPGFXCFSA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001029761737 724482315 /nfs/dbraw/zinc/48/23/15/724482315.db2.gz ZNWUJEJQHYDXDV-MOPGFXCFSA-N 1 3 331.504 2.553 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029767636 724485969 /nfs/dbraw/zinc/48/59/69/724485969.db2.gz WKPRBOVPEYJQOK-RTBURBONSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029767636 724485972 /nfs/dbraw/zinc/48/59/72/724485972.db2.gz WKPRBOVPEYJQOK-RTBURBONSA-N 1 3 331.504 2.616 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024752296 718138293 /nfs/dbraw/zinc/13/82/93/718138293.db2.gz QVAFNXKWLVPIFI-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024752296 718138295 /nfs/dbraw/zinc/13/82/95/718138295.db2.gz QVAFNXKWLVPIFI-QZTJIDSGSA-N 1 3 341.515 2.971 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029766887 724484745 /nfs/dbraw/zinc/48/47/45/724484745.db2.gz IHBLNCCUDVJOMN-PKOBYXMFSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001029766887 724484746 /nfs/dbraw/zinc/48/47/46/724484746.db2.gz IHBLNCCUDVJOMN-PKOBYXMFSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029767215 724485603 /nfs/dbraw/zinc/48/56/03/724485603.db2.gz MJIXCSRZQIKCLH-VQTJNVASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029767215 724485604 /nfs/dbraw/zinc/48/56/04/724485604.db2.gz MJIXCSRZQIKCLH-VQTJNVASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029767592 724486198 /nfs/dbraw/zinc/48/61/98/724486198.db2.gz VGRPFLSRVRTVGZ-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029767592 724486201 /nfs/dbraw/zinc/48/62/01/724486201.db2.gz VGRPFLSRVRTVGZ-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800987 718168539 /nfs/dbraw/zinc/16/85/39/718168539.db2.gz KIZJMHMZJFPPDH-MOPGFXCFSA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(CF)cc2)C1 ZINC001024800987 718168541 /nfs/dbraw/zinc/16/85/41/718168541.db2.gz KIZJMHMZJFPPDH-MOPGFXCFSA-N 1 3 347.478 2.579 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024813950 718174121 /nfs/dbraw/zinc/17/41/21/718174121.db2.gz KLIBYNAMDJQDRO-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024813950 718174122 /nfs/dbraw/zinc/17/41/22/718174122.db2.gz KLIBYNAMDJQDRO-KRWDZBQOSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC1 ZINC001024813405 718175903 /nfs/dbraw/zinc/17/59/03/718175903.db2.gz BQLBEVFBTLHTKN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024813405 718175905 /nfs/dbraw/zinc/17/59/05/718175905.db2.gz BQLBEVFBTLHTKN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC001024813406 718176051 /nfs/dbraw/zinc/17/60/51/718176051.db2.gz BQLBEVFBTLHTKN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024813406 718176052 /nfs/dbraw/zinc/17/60/52/718176052.db2.gz BQLBEVFBTLHTKN-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001024901624 718213422 /nfs/dbraw/zinc/21/34/22/718213422.db2.gz YLCUIXYTSFUYPX-MOPGFXCFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC001024902246 718213657 /nfs/dbraw/zinc/21/36/57/718213657.db2.gz LPFQBWNIYSDAPF-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)N(C)CC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892530446 718218048 /nfs/dbraw/zinc/21/80/48/718218048.db2.gz OFXFTLFBAQGVGO-OALUTQOASA-N 1 3 346.519 2.584 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2F)CC[N@@H+]1C ZINC001024967629 718242156 /nfs/dbraw/zinc/24/21/56/718242156.db2.gz ZMCZRFLBEUNIOW-KBAYOESNSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNCc2ccccc2F)CC[N@H+]1C ZINC001024967629 718242158 /nfs/dbraw/zinc/24/21/58/718242158.db2.gz ZMCZRFLBEUNIOW-KBAYOESNSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccsc2)CCC1 ZINC001024982426 718247414 /nfs/dbraw/zinc/24/74/14/718247414.db2.gz OMWIIUQMCUFDAD-MRXNPFEDSA-N 1 3 335.517 2.703 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)cs1 ZINC001024984569 718249115 /nfs/dbraw/zinc/24/91/15/718249115.db2.gz HFCYKLYVQFICQV-MSOLQXFVSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001024986663 718250066 /nfs/dbraw/zinc/25/00/66/718250066.db2.gz ZIHUSUMTIWSUDA-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001024991849 718250689 /nfs/dbraw/zinc/25/06/89/718250689.db2.gz LOFMWKBKCKRSHS-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001024992881 718252972 /nfs/dbraw/zinc/25/29/72/718252972.db2.gz ZFMNHCJIMJFHQT-OALUTQOASA-N 1 3 349.494 2.883 20 0 EFADHO CCCN1CCC([NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924577954 718332257 /nfs/dbraw/zinc/33/22/57/718332257.db2.gz MEDDMAODOLYMPB-IFXJQAMLSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001025073673 718342025 /nfs/dbraw/zinc/34/20/25/718342025.db2.gz PEDPDZDXOSMWRI-RBUKOAKNSA-N 1 3 349.494 2.883 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)C1 ZINC001025084325 718349892 /nfs/dbraw/zinc/34/98/92/718349892.db2.gz SCTRMYFQZJHJHJ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001025084780 718350205 /nfs/dbraw/zinc/35/02/05/718350205.db2.gz HKFIWHWKGBOMPK-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001025087267 718351858 /nfs/dbraw/zinc/35/18/58/718351858.db2.gz ZYMSLGOQBIKFKQ-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001025088396 718353029 /nfs/dbraw/zinc/35/30/29/718353029.db2.gz XDLQJKKIHIVZSK-MOPGFXCFSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001025098256 718357817 /nfs/dbraw/zinc/35/78/17/718357817.db2.gz MFGXUMXZSQCQIQ-QFBILLFUSA-N 1 3 340.471 2.993 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC001025098334 718358133 /nfs/dbraw/zinc/35/81/33/718358133.db2.gz OTJOSGDGPNAYDX-IEBWSBKVSA-N 1 3 338.455 2.610 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001025168027 718395744 /nfs/dbraw/zinc/39/57/44/718395744.db2.gz QSRBZZKQUZYIBT-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001025168026 718395818 /nfs/dbraw/zinc/39/58/18/718395818.db2.gz QSRBZZKQUZYIBT-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007454955 718403589 /nfs/dbraw/zinc/40/35/89/718403589.db2.gz AZRZDPRQUCERCU-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007454955 718403591 /nfs/dbraw/zinc/40/35/91/718403591.db2.gz AZRZDPRQUCERCU-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000981194984 718491951 /nfs/dbraw/zinc/49/19/51/718491951.db2.gz YEMFHJZQIIPAIY-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000981194984 718491953 /nfs/dbraw/zinc/49/19/53/718491953.db2.gz YEMFHJZQIIPAIY-UYAOXDASSA-N 1 3 343.515 2.678 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CNCC2(CCOCC2)C1 ZINC000925797116 718515435 /nfs/dbraw/zinc/51/54/35/718515435.db2.gz UBWZALUJTAVDLJ-APWZRJJASA-N 1 3 330.472 2.821 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289934 718530785 /nfs/dbraw/zinc/53/07/85/718530785.db2.gz VODZRGHYKCFGOK-DLBZAZTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289934 718530787 /nfs/dbraw/zinc/53/07/87/718530787.db2.gz VODZRGHYKCFGOK-DLBZAZTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981332396 718633567 /nfs/dbraw/zinc/63/35/67/718633567.db2.gz WSAUCVNZAZGEPV-DLBZAZTESA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000981332396 718633569 /nfs/dbraw/zinc/63/35/69/718633569.db2.gz WSAUCVNZAZGEPV-DLBZAZTESA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332384 718633700 /nfs/dbraw/zinc/63/37/00/718633700.db2.gz WETODLKYDCBXGP-SJLPKXTDSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332384 718633702 /nfs/dbraw/zinc/63/37/02/718633702.db2.gz WETODLKYDCBXGP-SJLPKXTDSA-N 1 3 339.499 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332743 718634663 /nfs/dbraw/zinc/63/46/63/718634663.db2.gz FCBXNGFIGBZKPF-FQEVSTJZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332743 718634664 /nfs/dbraw/zinc/63/46/64/718634664.db2.gz FCBXNGFIGBZKPF-FQEVSTJZSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000981324410 718636280 /nfs/dbraw/zinc/63/62/80/718636280.db2.gz KSBUYTPOGFEICW-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)C1 ZINC000981324410 718636285 /nfs/dbraw/zinc/63/62/85/718636285.db2.gz KSBUYTPOGFEICW-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000981370026 718668961 /nfs/dbraw/zinc/66/89/61/718668961.db2.gz VEQKEECBNUBYOX-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000981370026 718668963 /nfs/dbraw/zinc/66/89/63/718668963.db2.gz VEQKEECBNUBYOX-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981370134 718669049 /nfs/dbraw/zinc/66/90/49/718669049.db2.gz WTPQBXARSYYURG-IBGZPJMESA-N 1 3 333.520 2.896 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000981370134 718669051 /nfs/dbraw/zinc/66/90/51/718669051.db2.gz WTPQBXARSYYURG-IBGZPJMESA-N 1 3 333.520 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000981488209 718756232 /nfs/dbraw/zinc/75/62/32/718756232.db2.gz VCOXFWZSJIZCEH-DLBZAZTESA-N 1 3 332.492 2.858 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038327325 718766892 /nfs/dbraw/zinc/76/68/92/718766892.db2.gz JCNRNXKJBZEQTO-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038327325 718766894 /nfs/dbraw/zinc/76/68/94/718766894.db2.gz JCNRNXKJBZEQTO-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327325 718766897 /nfs/dbraw/zinc/76/68/97/718766897.db2.gz JCNRNXKJBZEQTO-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327325 718766899 /nfs/dbraw/zinc/76/68/99/718766899.db2.gz JCNRNXKJBZEQTO-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C/C=C/c2ccccc2)CC1 ZINC001028112580 718934016 /nfs/dbraw/zinc/93/40/16/718934016.db2.gz VBMYGYRGRBSTMS-MVHVFESUSA-N 1 3 341.499 2.622 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000981681334 718948281 /nfs/dbraw/zinc/94/82/81/718948281.db2.gz CLZUPWCMSRDWQL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981681334 718948285 /nfs/dbraw/zinc/94/82/85/718948285.db2.gz CLZUPWCMSRDWQL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CCC(CC)C[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981683390 718949931 /nfs/dbraw/zinc/94/99/31/718949931.db2.gz WJMFAPLXYXNVDJ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981683390 718949933 /nfs/dbraw/zinc/94/99/33/718949933.db2.gz WJMFAPLXYXNVDJ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812019 719072103 /nfs/dbraw/zinc/07/21/03/719072103.db2.gz DVLOQMIEWGSTJM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC000981812019 719072109 /nfs/dbraw/zinc/07/21/09/719072109.db2.gz DVLOQMIEWGSTJM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)C1)C2)N(C)C ZINC000981825961 719087211 /nfs/dbraw/zinc/08/72/11/719087211.db2.gz WSKFVVDPMLBCND-ABHNRTSZSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)C1)C2)N(C)C ZINC000981825961 719087216 /nfs/dbraw/zinc/08/72/16/719087216.db2.gz WSKFVVDPMLBCND-ABHNRTSZSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)Cc1ccoc1C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000981837579 719102280 /nfs/dbraw/zinc/10/22/80/719102280.db2.gz UTAKLXFOVQZBEM-UHFFFAOYSA-N 1 3 341.455 2.689 20 0 EFADHO CN(C)Cc1ccoc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000981837579 719102283 /nfs/dbraw/zinc/10/22/83/719102283.db2.gz UTAKLXFOVQZBEM-UHFFFAOYSA-N 1 3 341.455 2.689 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2)N(C)C ZINC000981841648 719118783 /nfs/dbraw/zinc/11/87/83/719118783.db2.gz INVOWILCHACWJL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2)N(C)C ZINC000981841648 719118786 /nfs/dbraw/zinc/11/87/86/719118786.db2.gz INVOWILCHACWJL-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(C)c1)C2)N(C)C ZINC000981841959 719118864 /nfs/dbraw/zinc/11/88/64/719118864.db2.gz PCARNNCNPAUCNZ-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2)N(C)C ZINC000981841959 719118866 /nfs/dbraw/zinc/11/88/66/719118866.db2.gz PCARNNCNPAUCNZ-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629531 719254098 /nfs/dbraw/zinc/25/40/98/719254098.db2.gz HXPULRBTKGKJJK-IRXDYDNUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629531 719254100 /nfs/dbraw/zinc/25/41/00/719254100.db2.gz HXPULRBTKGKJJK-IRXDYDNUSA-N 1 3 331.504 2.987 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025808916 719322270 /nfs/dbraw/zinc/32/22/70/719322270.db2.gz ZTHNFHOYNKUUME-LGKHCZOZSA-N 1 3 341.499 2.668 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025808916 719322272 /nfs/dbraw/zinc/32/22/72/719322272.db2.gz ZTHNFHOYNKUUME-LGKHCZOZSA-N 1 3 341.499 2.668 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001019775723 719383281 /nfs/dbraw/zinc/38/32/81/719383281.db2.gz ANXRSEAYKHYOBV-PBHICJAKSA-N 1 3 335.879 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001019820698 719391665 /nfs/dbraw/zinc/39/16/65/719391665.db2.gz VEEOWHIKVSXKBB-OALUTQOASA-N 1 3 347.478 2.699 20 0 EFADHO CC1CC(C[N@@H+]2CCCC3(CN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC000982009175 719432818 /nfs/dbraw/zinc/43/28/18/719432818.db2.gz IQKMTEUIXZTSIO-UHFFFAOYSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CCCC3(CN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC000982009175 719432820 /nfs/dbraw/zinc/43/28/20/719432820.db2.gz IQKMTEUIXZTSIO-UHFFFAOYSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC000982012391 719436343 /nfs/dbraw/zinc/43/63/43/719436343.db2.gz VXLOKBSLIOWREV-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC000982012391 719436346 /nfs/dbraw/zinc/43/63/46/719436346.db2.gz VXLOKBSLIOWREV-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC000982012443 719436410 /nfs/dbraw/zinc/43/64/10/719436410.db2.gz XFFHTFMWAHNWQD-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC000982012443 719436414 /nfs/dbraw/zinc/43/64/14/719436414.db2.gz XFFHTFMWAHNWQD-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000982012253 719436444 /nfs/dbraw/zinc/43/64/44/719436444.db2.gz UCZNORQZDGPOKM-GOSISDBHSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000982012253 719436446 /nfs/dbraw/zinc/43/64/46/719436446.db2.gz UCZNORQZDGPOKM-GOSISDBHSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC000982012536 719436553 /nfs/dbraw/zinc/43/65/53/719436553.db2.gz ZBWDUARGPNVADF-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC000982012536 719436557 /nfs/dbraw/zinc/43/65/57/719436557.db2.gz ZBWDUARGPNVADF-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CC(C)(C)C2)C3)C1 ZINC000982012877 719437188 /nfs/dbraw/zinc/43/71/88/719437188.db2.gz HAFOUPMHHMISRD-QGZVFWFLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CC(C)(C)C2)C3)C1 ZINC000982012877 719437191 /nfs/dbraw/zinc/43/71/91/719437191.db2.gz HAFOUPMHHMISRD-QGZVFWFLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982013279 719438953 /nfs/dbraw/zinc/43/89/53/719438953.db2.gz PPFMNGFCUKTOHC-INIZCTEOSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982013279 719438957 /nfs/dbraw/zinc/43/89/57/719438957.db2.gz PPFMNGFCUKTOHC-INIZCTEOSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC2CCCC2)C3)C1 ZINC000982013410 719439167 /nfs/dbraw/zinc/43/91/67/719439167.db2.gz RSEUKNRURLJDRZ-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC2CCCC2)C3)C1 ZINC000982013410 719439170 /nfs/dbraw/zinc/43/91/70/719439170.db2.gz RSEUKNRURLJDRZ-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCc1cccs1)C2)N(C)C ZINC000982019486 719448195 /nfs/dbraw/zinc/44/81/95/719448195.db2.gz XHIZDTDPCBOEFT-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCc1cccs1)C2)N(C)C ZINC000982019486 719448198 /nfs/dbraw/zinc/44/81/98/719448198.db2.gz XHIZDTDPCBOEFT-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020144343 719455942 /nfs/dbraw/zinc/45/59/42/719455942.db2.gz ZHAKXUDSQMGNIZ-JFIYKMOQSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001020144343 719455945 /nfs/dbraw/zinc/45/59/45/719455945.db2.gz ZHAKXUDSQMGNIZ-JFIYKMOQSA-N 1 3 349.906 2.950 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000982052414 719507285 /nfs/dbraw/zinc/50/72/85/719507285.db2.gz JBVRENBEDOIOPI-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000982052414 719507287 /nfs/dbraw/zinc/50/72/87/719507287.db2.gz JBVRENBEDOIOPI-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000982086354 719528649 /nfs/dbraw/zinc/52/86/49/719528649.db2.gz JNQWJZWODMMDMC-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982116529 719573786 /nfs/dbraw/zinc/57/37/86/719573786.db2.gz LZANXWMVUKCIHJ-INIZCTEOSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982116529 719573789 /nfs/dbraw/zinc/57/37/89/719573789.db2.gz LZANXWMVUKCIHJ-INIZCTEOSA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163522 719607619 /nfs/dbraw/zinc/60/76/19/719607619.db2.gz DLNUVUNJDLGSJU-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163522 719607621 /nfs/dbraw/zinc/60/76/21/719607621.db2.gz DLNUVUNJDLGSJU-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161552 719620534 /nfs/dbraw/zinc/62/05/34/719620534.db2.gz VJOHEZBRDZOTRH-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CCCC2(CN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000982161552 719620535 /nfs/dbraw/zinc/62/05/35/719620535.db2.gz VJOHEZBRDZOTRH-UHFFFAOYSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221075 719680208 /nfs/dbraw/zinc/68/02/08/719680208.db2.gz KDNHUYURNULQIP-MRXNPFEDSA-N 1 3 335.467 2.644 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275414 719772945 /nfs/dbraw/zinc/77/29/45/719772945.db2.gz FNMNSJHZCSUETK-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275414 719772949 /nfs/dbraw/zinc/77/29/49/719772949.db2.gz FNMNSJHZCSUETK-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148477 719801847 /nfs/dbraw/zinc/80/18/47/719801847.db2.gz LTJJDOHBJZHDAP-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148477 719801856 /nfs/dbraw/zinc/80/18/56/719801856.db2.gz LTJJDOHBJZHDAP-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1 ZINC000982292541 719822878 /nfs/dbraw/zinc/82/28/78/719822878.db2.gz OBMTWRFYKYFIHB-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(C)C)C[C@]2(C)C1 ZINC000982292541 719822882 /nfs/dbraw/zinc/82/28/82/719822882.db2.gz OBMTWRFYKYFIHB-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301372 719857910 /nfs/dbraw/zinc/85/79/10/719857910.db2.gz NSTFECSEJRTVLE-QGZVKYPTSA-N 1 3 337.552 2.789 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301372 719857918 /nfs/dbraw/zinc/85/79/18/719857918.db2.gz NSTFECSEJRTVLE-QGZVKYPTSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301874 719859968 /nfs/dbraw/zinc/85/99/68/719859968.db2.gz YROFZLRZTRVITO-YSIASYRMSA-N 1 3 335.536 2.709 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@]2(C)C1 ZINC000982301874 719859972 /nfs/dbraw/zinc/85/99/72/719859972.db2.gz YROFZLRZTRVITO-YSIASYRMSA-N 1 3 335.536 2.709 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357042 724650360 /nfs/dbraw/zinc/65/03/60/724650360.db2.gz PQSPCRKZMPKFAU-FXAWDEMLSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354548 724649517 /nfs/dbraw/zinc/64/95/17/724649517.db2.gz KGRIRIKZEQNZFV-KBXCAEBGSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986354664 724649601 /nfs/dbraw/zinc/64/96/01/724649601.db2.gz KXGXTHHJTRFEHF-HNAYVOBHSA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN(C)C1CCC1 ZINC000986355961 724650085 /nfs/dbraw/zinc/65/00/85/724650085.db2.gz NLRGMSJAXDJCPO-MAUKXSAKSA-N 1 3 333.520 2.630 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@H]2C1)C1CCC1 ZINC001026285029 720138333 /nfs/dbraw/zinc/13/83/33/720138333.db2.gz XALFTZKRENTWDB-YTQUADARSA-N 1 3 347.547 2.734 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)[C@@H]2C1)C1CCC1 ZINC001026285026 720138487 /nfs/dbraw/zinc/13/84/87/720138487.db2.gz XALFTZKRENTWDB-QXAKKESOSA-N 1 3 347.547 2.734 20 0 EFADHO CCOC(=O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893945727 720177449 /nfs/dbraw/zinc/17/74/49/720177449.db2.gz MFWOJCSQLMIYBI-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO CCOC(=O)[C@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893945727 720177454 /nfs/dbraw/zinc/17/74/54/720177454.db2.gz MFWOJCSQLMIYBI-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO CCOC(=O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893945727 720177455 /nfs/dbraw/zinc/17/74/55/720177455.db2.gz MFWOJCSQLMIYBI-AQDPXUSMSA-N 1 3 330.472 2.722 20 0 EFADHO Cc1noc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)n1 ZINC000894038514 720242571 /nfs/dbraw/zinc/24/25/71/720242571.db2.gz ZATUUPGMLVUAQF-HQSKLWIPSA-N 1 3 326.444 2.877 20 0 EFADHO C[C@H]1CN(Cc2cccc3c2NCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000894076996 720270811 /nfs/dbraw/zinc/27/08/11/720270811.db2.gz SHPVHNOAYJXJQL-PXNSSMCTSA-N 1 3 342.531 2.503 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000245934250 720316238 /nfs/dbraw/zinc/31/62/38/720316238.db2.gz ISAZDAHOJABHHH-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029830555 724666968 /nfs/dbraw/zinc/66/69/68/724666968.db2.gz DXKTWCBKHLOXDX-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029830555 724666970 /nfs/dbraw/zinc/66/69/70/724666970.db2.gz DXKTWCBKHLOXDX-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332906 720373326 /nfs/dbraw/zinc/37/33/26/720373326.db2.gz GJCJDYPHYYWJBT-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332906 720373331 /nfs/dbraw/zinc/37/33/31/720373331.db2.gz GJCJDYPHYYWJBT-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333024 720373379 /nfs/dbraw/zinc/37/33/79/720373379.db2.gz BIRRNCJXGNRAMM-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333024 720373382 /nfs/dbraw/zinc/37/33/82/720373382.db2.gz BIRRNCJXGNRAMM-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164727946 720411921 /nfs/dbraw/zinc/41/19/21/720411921.db2.gz FIKCJVLTGWTYAW-WOJBJXKFSA-N 1 3 349.482 2.930 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCC4)[C@H]3C2)CC1 ZINC001026386913 720455433 /nfs/dbraw/zinc/45/54/33/720455433.db2.gz UNGRXNWSEWIOME-SLFFLAALSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026425050 720554880 /nfs/dbraw/zinc/55/48/80/720554880.db2.gz BCNVYZYTYGXVNQ-HSALFYBXSA-N 1 3 343.515 2.844 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]12 ZINC001026428090 720559974 /nfs/dbraw/zinc/55/99/74/720559974.db2.gz ZUEAJTKPFWAGCN-GUDVDZBRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(F)cc1 ZINC000947686238 720576685 /nfs/dbraw/zinc/57/66/85/720576685.db2.gz VUBCFDFSEXDOPU-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840062 724689810 /nfs/dbraw/zinc/68/98/10/724689810.db2.gz PKBFPMOTRAKRPJ-DLBZAZTESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840062 724689813 /nfs/dbraw/zinc/68/98/13/724689813.db2.gz PKBFPMOTRAKRPJ-DLBZAZTESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840064 724689869 /nfs/dbraw/zinc/68/98/69/724689869.db2.gz PKBFPMOTRAKRPJ-IRXDYDNUSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001029840064 724689871 /nfs/dbraw/zinc/68/98/71/724689871.db2.gz PKBFPMOTRAKRPJ-IRXDYDNUSA-N 1 3 335.536 2.545 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001029840277 724690717 /nfs/dbraw/zinc/69/07/17/724690717.db2.gz VLPZMRBNUTZNTD-QUCCMNQESA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001029840277 724690718 /nfs/dbraw/zinc/69/07/18/724690718.db2.gz VLPZMRBNUTZNTD-QUCCMNQESA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001029841455 724691097 /nfs/dbraw/zinc/69/10/97/724691097.db2.gz IFLLHUXBCWMTNH-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001029841455 724691098 /nfs/dbraw/zinc/69/10/98/724691098.db2.gz IFLLHUXBCWMTNH-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841731 724693234 /nfs/dbraw/zinc/69/32/34/724693234.db2.gz LHGQFFSZUFRPFU-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841731 724693235 /nfs/dbraw/zinc/69/32/35/724693235.db2.gz LHGQFFSZUFRPFU-WMZOPIPTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029842079 724693958 /nfs/dbraw/zinc/69/39/58/724693958.db2.gz NJNDMHZHOYNCEW-JKSUJKDBSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029842079 724693959 /nfs/dbraw/zinc/69/39/59/724693959.db2.gz NJNDMHZHOYNCEW-JKSUJKDBSA-N 1 3 335.517 2.513 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842204 724694037 /nfs/dbraw/zinc/69/40/37/724694037.db2.gz PISLGYMXJUTKJN-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842204 724694038 /nfs/dbraw/zinc/69/40/38/724694038.db2.gz PISLGYMXJUTKJN-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO OC1(c2cccnc2)CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925640129 720672265 /nfs/dbraw/zinc/67/22/65/720672265.db2.gz GGTQRSBKUUGMLX-JWFWCLOMSA-N 1 3 343.515 2.970 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1 ZINC001026560648 720748148 /nfs/dbraw/zinc/74/81/48/720748148.db2.gz AHDRBWDQUPCOID-IPJUCJBFSA-N 1 3 329.488 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001026560657 720748206 /nfs/dbraw/zinc/74/82/06/720748206.db2.gz AJXYVXCBHMHSPO-IPJUCJBFSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026560953 720748450 /nfs/dbraw/zinc/74/84/50/720748450.db2.gz LBFXTIGVFWKVPU-OOHWJJMZSA-N 1 3 335.517 2.749 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001026561126 720748889 /nfs/dbraw/zinc/74/88/89/720748889.db2.gz PDNQQRRDPIWOLU-KKXNLOMOSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC001026561301 720749518 /nfs/dbraw/zinc/74/95/18/720749518.db2.gz VAYNZQKGJIBEBC-QHGAOEGBSA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)[NH2+]C1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559918 720752862 /nfs/dbraw/zinc/75/28/62/720752862.db2.gz WJKWWPWYNIVUKT-JTTJXQCZSA-N 1 3 327.488 2.624 20 0 EFADHO Cc1cc(C[NH2+]C2CCC(NC(=O)Cc3nc[nH]c3C)CC2)cs1 ZINC001026598853 720798233 /nfs/dbraw/zinc/79/82/33/720798233.db2.gz YGHPVXJOMVSMAU-UHFFFAOYSA-N 1 3 346.500 2.848 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CC1CCCCC1)C2 ZINC000982598063 720931179 /nfs/dbraw/zinc/93/11/79/720931179.db2.gz FZRUPYZOQDYIHP-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CC1CCCCC1)C2 ZINC000982598063 720931181 /nfs/dbraw/zinc/93/11/81/720931181.db2.gz FZRUPYZOQDYIHP-BGYRXZFFSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028537115 720986639 /nfs/dbraw/zinc/98/66/39/720986639.db2.gz HJHPYOVZFXAQJH-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028537115 720986643 /nfs/dbraw/zinc/98/66/43/720986643.db2.gz HJHPYOVZFXAQJH-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028548653 720991407 /nfs/dbraw/zinc/99/14/07/720991407.db2.gz DEFJQMFHSPVWBQ-QGPMSJSTSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028548653 720991409 /nfs/dbraw/zinc/99/14/09/720991409.db2.gz DEFJQMFHSPVWBQ-QGPMSJSTSA-N 1 3 349.906 2.618 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026735053 721004803 /nfs/dbraw/zinc/00/48/03/721004803.db2.gz YJCQDTYGTNTQKK-XLIONFOSSA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001026734481 721009417 /nfs/dbraw/zinc/00/94/17/721009417.db2.gz ODAYZFIKEFMNJX-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026734874 721010416 /nfs/dbraw/zinc/01/04/16/721010416.db2.gz VWBOIBUYHJFRCB-ROUUACIJSA-N 1 3 335.536 2.735 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001029947751 724729965 /nfs/dbraw/zinc/72/99/65/724729965.db2.gz VAVVGMLCRPWRBH-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001029947751 724729968 /nfs/dbraw/zinc/72/99/68/724729968.db2.gz VAVVGMLCRPWRBH-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(C[N@@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001029947804 724730543 /nfs/dbraw/zinc/73/05/43/724730543.db2.gz WWPQXLUHZHZPQX-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001029947804 724730545 /nfs/dbraw/zinc/73/05/45/724730545.db2.gz WWPQXLUHZHZPQX-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028579761 721101056 /nfs/dbraw/zinc/10/10/56/721101056.db2.gz IJAVZIYOLNQRJF-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028579761 721101058 /nfs/dbraw/zinc/10/10/58/721101058.db2.gz IJAVZIYOLNQRJF-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028580398 721110343 /nfs/dbraw/zinc/11/03/43/721110343.db2.gz VUVYPIVXRPESJG-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028580398 721110345 /nfs/dbraw/zinc/11/03/45/721110345.db2.gz VUVYPIVXRPESJG-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1)N(C)C ZINC000985636911 724739395 /nfs/dbraw/zinc/73/93/95/724739395.db2.gz JAYKKLXRCZKTOC-QGZVFWFLSA-N 1 3 337.533 2.757 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1)N(C)C ZINC000985636911 724739397 /nfs/dbraw/zinc/73/93/97/724739397.db2.gz JAYKKLXRCZKTOC-QGZVFWFLSA-N 1 3 337.533 2.757 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001026885154 721293728 /nfs/dbraw/zinc/29/37/28/721293728.db2.gz GKTLTDAHHHQMFS-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885391 721294467 /nfs/dbraw/zinc/29/44/67/721294467.db2.gz JGFNFUUPRQMHIZ-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001026885843 721294483 /nfs/dbraw/zinc/29/44/83/721294483.db2.gz NFFVNJQTYRFZTE-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026885859 721294598 /nfs/dbraw/zinc/29/45/98/721294598.db2.gz NTPLCWXTGPRRMO-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982830858 721301645 /nfs/dbraw/zinc/30/16/45/721301645.db2.gz BLKIUZUUQVTZBH-BGYRXZFFSA-N 1 3 329.488 2.552 20 0 EFADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(CN(C)C)c3)C[C@@]2(C)C1 ZINC000982830858 721301648 /nfs/dbraw/zinc/30/16/48/721301648.db2.gz BLKIUZUUQVTZBH-BGYRXZFFSA-N 1 3 329.488 2.552 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831438 721304045 /nfs/dbraw/zinc/30/40/45/721304045.db2.gz LFLOFDUEHIRWME-IDPBPBMLSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831438 721304049 /nfs/dbraw/zinc/30/40/49/721304049.db2.gz LFLOFDUEHIRWME-IDPBPBMLSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832031 721305084 /nfs/dbraw/zinc/30/50/84/721305084.db2.gz SRIMTBHPVPPSBJ-GHSBBIOCSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832031 721305088 /nfs/dbraw/zinc/30/50/88/721305088.db2.gz SRIMTBHPVPPSBJ-GHSBBIOCSA-N 1 3 347.547 2.996 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886393 721305369 /nfs/dbraw/zinc/30/53/69/721305369.db2.gz VWYQPTGFOHCARJ-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026887286 721306517 /nfs/dbraw/zinc/30/65/17/721306517.db2.gz NZBLQAWRRHKOCJ-XLIONFOSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887532 721307269 /nfs/dbraw/zinc/30/72/69/721307269.db2.gz QQOCHTWTZCQKAU-PXNSSMCTSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887748 721307926 /nfs/dbraw/zinc/30/79/26/721307926.db2.gz ULYIPFGPGRGKHJ-YLJYHZDGSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901315 721312791 /nfs/dbraw/zinc/31/27/91/721312791.db2.gz NJVAGYFTERFVPY-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026901759 721313358 /nfs/dbraw/zinc/31/33/58/721313358.db2.gz SYBZMAXDFZVZHL-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001026916201 721343501 /nfs/dbraw/zinc/34/35/01/721343501.db2.gz DKLPECPRDJHESZ-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001026916173 721343510 /nfs/dbraw/zinc/34/35/10/721343510.db2.gz CIDGDOGFZPOFFS-DOTOQJQBSA-N 1 3 337.895 2.618 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001026916383 721343571 /nfs/dbraw/zinc/34/35/71/721343571.db2.gz GZZSBNNHALJJSP-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001026916202 721343610 /nfs/dbraw/zinc/34/36/10/721343610.db2.gz DKLPECPRDJHESZ-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001026916926 721344230 /nfs/dbraw/zinc/34/42/30/721344230.db2.gz SIOOOXQNFCHXRO-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985647376 724753300 /nfs/dbraw/zinc/75/33/00/724753300.db2.gz PIBDNCKBUQYWAC-SFHVURJKSA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000985647376 724753303 /nfs/dbraw/zinc/75/33/03/724753303.db2.gz PIBDNCKBUQYWAC-SFHVURJKSA-N 1 3 327.488 2.532 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000893395206 721373807 /nfs/dbraw/zinc/37/38/07/721373807.db2.gz LSJPLGWRXJJSJO-MOPGFXCFSA-N 1 3 348.535 2.662 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766798 721413406 /nfs/dbraw/zinc/41/34/06/721413406.db2.gz KAYQVLFUIFKZTL-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974766798 721413411 /nfs/dbraw/zinc/41/34/11/721413411.db2.gz KAYQVLFUIFKZTL-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2cc(C)ccc2F)CC1)N(C)C ZINC000985656075 724765697 /nfs/dbraw/zinc/76/56/97/724765697.db2.gz KZTNZTHWZUMGBW-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cc(C)ccc2F)CC1)N(C)C ZINC000985656075 724765699 /nfs/dbraw/zinc/76/56/99/724765699.db2.gz KZTNZTHWZUMGBW-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1)N(C)C ZINC000985657504 724768030 /nfs/dbraw/zinc/76/80/30/724768030.db2.gz QYMPRFLCBZLBBY-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1)N(C)C ZINC000985657504 724768034 /nfs/dbraw/zinc/76/80/34/724768034.db2.gz QYMPRFLCBZLBBY-IBGZPJMESA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2C)CC1)N(C)C ZINC000985657582 724768471 /nfs/dbraw/zinc/76/84/71/724768471.db2.gz RRLQFPLQDJGOCM-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2C)CC1)N(C)C ZINC000985657582 724768473 /nfs/dbraw/zinc/76/84/73/724768473.db2.gz RRLQFPLQDJGOCM-IBGZPJMESA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974861550 721483403 /nfs/dbraw/zinc/48/34/03/721483403.db2.gz HEHSPWXUSBMWDB-ZWKOTPCHSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864866 721486258 /nfs/dbraw/zinc/48/62/58/721486258.db2.gz RVEGOHGKCHIRIT-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864866 721486261 /nfs/dbraw/zinc/48/62/61/721486261.db2.gz RVEGOHGKCHIRIT-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974866592 721487444 /nfs/dbraw/zinc/48/74/44/721487444.db2.gz ZBADYEYQEKYVLL-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000974866592 721487445 /nfs/dbraw/zinc/48/74/45/721487445.db2.gz ZBADYEYQEKYVLL-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852582 724773277 /nfs/dbraw/zinc/77/32/77/724773277.db2.gz FIYHLKLXZIOIHC-IRXDYDNUSA-N 1 3 340.471 2.802 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852582 724773280 /nfs/dbraw/zinc/77/32/80/724773280.db2.gz FIYHLKLXZIOIHC-IRXDYDNUSA-N 1 3 340.471 2.802 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853139 724775631 /nfs/dbraw/zinc/77/56/31/724775631.db2.gz MIQVRBPLEPYCGI-LSDHHAIUSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853139 724775633 /nfs/dbraw/zinc/77/56/33/724775633.db2.gz MIQVRBPLEPYCGI-LSDHHAIUSA-N 1 3 344.434 2.633 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001029970370 724777667 /nfs/dbraw/zinc/77/76/67/724777667.db2.gz XJDFUKSCTOXIBC-GXOAENINSA-N 1 3 335.536 2.543 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001029970370 724777669 /nfs/dbraw/zinc/77/76/69/724777669.db2.gz XJDFUKSCTOXIBC-GXOAENINSA-N 1 3 335.536 2.543 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC(C)(C)CC1 ZINC001029853291 724778294 /nfs/dbraw/zinc/77/82/94/724778294.db2.gz MSRGRKUAQBYQBM-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC(C)(C)CC1 ZINC001029853291 724778296 /nfs/dbraw/zinc/77/82/96/724778296.db2.gz MSRGRKUAQBYQBM-KRWDZBQOSA-N 1 3 346.519 2.949 20 0 EFADHO CN(CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)C1CCC1 ZINC001029971075 724778570 /nfs/dbraw/zinc/77/85/70/724778570.db2.gz HZTFNHYVEWJSJZ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)C1CCC1 ZINC001029971075 724778574 /nfs/dbraw/zinc/77/85/74/724778574.db2.gz HZTFNHYVEWJSJZ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853868 724780175 /nfs/dbraw/zinc/78/01/75/724780175.db2.gz SBZXMJGACRIXGJ-IAGOWNOFSA-N 1 3 340.471 2.802 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853868 724780179 /nfs/dbraw/zinc/78/01/79/724780179.db2.gz SBZXMJGACRIXGJ-IAGOWNOFSA-N 1 3 340.471 2.802 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC001029972466 724783282 /nfs/dbraw/zinc/78/32/82/724783282.db2.gz HTMUCJXYLYXLSK-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC001029972466 724783284 /nfs/dbraw/zinc/78/32/84/724783284.db2.gz HTMUCJXYLYXLSK-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC001029972517 724783605 /nfs/dbraw/zinc/78/36/05/724783605.db2.gz JRDJZPOPKQURHY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC001029972517 724783607 /nfs/dbraw/zinc/78/36/07/724783607.db2.gz JRDJZPOPKQURHY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674806 724784051 /nfs/dbraw/zinc/78/40/51/724784051.db2.gz JSXHRURLWHZNQU-AWEZNQCLSA-N 1 3 344.434 2.775 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674806 724784053 /nfs/dbraw/zinc/78/40/53/724784053.db2.gz JSXHRURLWHZNQU-AWEZNQCLSA-N 1 3 344.434 2.775 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674389 724784943 /nfs/dbraw/zinc/78/49/43/724784943.db2.gz BIXSZYSPWHLNKM-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674389 724784947 /nfs/dbraw/zinc/78/49/47/724784947.db2.gz BIXSZYSPWHLNKM-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675874 724785939 /nfs/dbraw/zinc/78/59/39/724785939.db2.gz XHJDTTVCXXQSED-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675874 724785942 /nfs/dbraw/zinc/78/59/42/724785942.db2.gz XHJDTTVCXXQSED-UHFFFAOYSA-N 1 3 344.434 2.523 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985675891 724785958 /nfs/dbraw/zinc/78/59/58/724785958.db2.gz XVAGJZFHTIRRCI-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985675891 724785959 /nfs/dbraw/zinc/78/59/59/724785959.db2.gz XVAGJZFHTIRRCI-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Brc1cnn(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000261830095 721755373 /nfs/dbraw/zinc/75/53/73/721755373.db2.gz UPWIITPWWYKHMJ-QLFBSQMISA-N 1 3 341.297 2.546 20 0 EFADHO Brc1cnn(CCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261830101 721755413 /nfs/dbraw/zinc/75/54/13/721755413.db2.gz UPWIITPWWYKHMJ-RRFJBIMHSA-N 1 3 341.297 2.546 20 0 EFADHO C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003587 722061456 /nfs/dbraw/zinc/06/14/56/722061456.db2.gz WSBFBZNADGOKFA-WMLDXEAASA-N 1 3 349.906 2.633 20 0 EFADHO C[C@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003587 722061458 /nfs/dbraw/zinc/06/14/58/722061458.db2.gz WSBFBZNADGOKFA-WMLDXEAASA-N 1 3 349.906 2.633 20 0 EFADHO CC[C@H](F)CN1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870805 722062770 /nfs/dbraw/zinc/06/27/70/722062770.db2.gz WLMOMGIPUPFQHC-AEFFLSMTSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028984724 722597537 /nfs/dbraw/zinc/59/75/37/722597537.db2.gz DRDFKUCUIAULET-CVEARBPZSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028984724 722597538 /nfs/dbraw/zinc/59/75/38/722597538.db2.gz DRDFKUCUIAULET-CVEARBPZSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028984727 722597732 /nfs/dbraw/zinc/59/77/32/722597732.db2.gz DRDFKUCUIAULET-JKSUJKDBSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028984727 722597733 /nfs/dbraw/zinc/59/77/33/722597733.db2.gz DRDFKUCUIAULET-JKSUJKDBSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001028985063 722598815 /nfs/dbraw/zinc/59/88/15/722598815.db2.gz HQUDHRBIDCUVCT-NVXWUHKLSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001028985063 722598817 /nfs/dbraw/zinc/59/88/17/722598817.db2.gz HQUDHRBIDCUVCT-NVXWUHKLSA-N 1 3 349.906 2.538 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000416 722616311 /nfs/dbraw/zinc/61/63/11/722616311.db2.gz CTROLVQNTLNDQF-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000416 722616313 /nfs/dbraw/zinc/61/63/13/722616313.db2.gz CTROLVQNTLNDQF-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000787 722617285 /nfs/dbraw/zinc/61/72/85/722617285.db2.gz JNYAFGGYTQFBJX-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000787 722617288 /nfs/dbraw/zinc/61/72/88/722617288.db2.gz JNYAFGGYTQFBJX-KRWDZBQOSA-N 1 3 331.504 2.846 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001029000479 722617506 /nfs/dbraw/zinc/61/75/06/722617506.db2.gz FNSPLGDTCTYBCQ-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001029000479 722617509 /nfs/dbraw/zinc/61/75/09/722617509.db2.gz FNSPLGDTCTYBCQ-QGZVFWFLSA-N 1 3 329.488 2.600 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001029000490 722617696 /nfs/dbraw/zinc/61/76/96/722617696.db2.gz FWAMMDPFWBTCPC-HMZQOCAUSA-N 1 3 335.879 2.552 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000949 722617699 /nfs/dbraw/zinc/61/76/99/722617699.db2.gz MNMOQCGYQXKSJP-CVEARBPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000949 722617700 /nfs/dbraw/zinc/61/77/00/722617700.db2.gz MNMOQCGYQXKSJP-CVEARBPZSA-N 1 3 335.467 2.548 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001029001735 722619918 /nfs/dbraw/zinc/61/99/18/722619918.db2.gz BQICMSGAQYCWFP-AEFFLSMTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001029001735 722619920 /nfs/dbraw/zinc/61/99/20/722619920.db2.gz BQICMSGAQYCWFP-AEFFLSMTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001029001754 722619989 /nfs/dbraw/zinc/61/99/89/722619989.db2.gz BSRLEPDOOYSYGA-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001029001754 722619990 /nfs/dbraw/zinc/61/99/90/722619990.db2.gz BSRLEPDOOYSYGA-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000939138047 728762843 /nfs/dbraw/zinc/76/28/43/728762843.db2.gz RFPWTXAELTVXRY-NVXWUHKLSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC000983660534 722845097 /nfs/dbraw/zinc/84/50/97/722845097.db2.gz ICRICMXBNBDITP-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029108150 722878937 /nfs/dbraw/zinc/87/89/37/722878937.db2.gz XDKABLXLEHLQHW-HNAYVOBHSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029110464 722881362 /nfs/dbraw/zinc/88/13/62/722881362.db2.gz OSUBQTYYMNGQRV-PXNSSMCTSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029140044 722918971 /nfs/dbraw/zinc/91/89/71/722918971.db2.gz OSUBQTYYMNGQRV-FXAWDEMLSA-N 1 3 345.531 2.990 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001029143896 722922326 /nfs/dbraw/zinc/92/23/26/722922326.db2.gz CVKOJPPQGDFGEU-BEFAXECRSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001029144621 722922601 /nfs/dbraw/zinc/92/26/01/722922601.db2.gz LEIAJLUSRRUGAD-CJNGLKHVSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147070 722925165 /nfs/dbraw/zinc/92/51/65/722925165.db2.gz MXKCFSKIZAVERW-HOTGVXAUSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150101 722927970 /nfs/dbraw/zinc/92/79/70/722927970.db2.gz IXTSUNKNXYUQCS-AWEZNQCLSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150086 722928009 /nfs/dbraw/zinc/92/80/09/722928009.db2.gz IOXIDROGSVYXSN-CQSZACIVSA-N 1 3 344.434 2.508 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001029171214 722938584 /nfs/dbraw/zinc/93/85/84/722938584.db2.gz BKTPOCNSLXGZNK-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001029173070 722941286 /nfs/dbraw/zinc/94/12/86/722941286.db2.gz KYGFDWBDXLQZGO-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+]CCCN2CCCCC2)cc1C ZINC000237167950 723128287 /nfs/dbraw/zinc/12/82/87/723128287.db2.gz QOGCPSVKEVUFHB-UHFFFAOYSA-N 1 3 348.487 2.821 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473638 723284555 /nfs/dbraw/zinc/28/45/55/723284555.db2.gz QIUYVRFQJOJUBI-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001029473638 723284557 /nfs/dbraw/zinc/28/45/57/723284557.db2.gz QIUYVRFQJOJUBI-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001029330385 723364327 /nfs/dbraw/zinc/36/43/27/723364327.db2.gz MQVQUDLBAGZHHR-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001029330385 723364331 /nfs/dbraw/zinc/36/43/31/723364331.db2.gz MQVQUDLBAGZHHR-OTWHNJEPSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031802003 728815341 /nfs/dbraw/zinc/81/53/41/728815341.db2.gz MEYOLHNYUZSVNC-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001031802003 728815345 /nfs/dbraw/zinc/81/53/45/728815345.db2.gz MEYOLHNYUZSVNC-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCC1CCCCCC1 ZINC000939208481 728816779 /nfs/dbraw/zinc/81/67/79/728816779.db2.gz CPICUUYPDGVDMR-MAUKXSAKSA-N 1 3 332.492 2.749 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896607935 723404867 /nfs/dbraw/zinc/40/48/67/723404867.db2.gz JLRUDMYBZSPCCB-NRGCRIOASA-N 1 3 348.535 2.662 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1CCCC1 ZINC001038443762 723435129 /nfs/dbraw/zinc/43/51/29/723435129.db2.gz JENJUERFXKVGHU-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1CCCC1 ZINC001038443762 723435133 /nfs/dbraw/zinc/43/51/33/723435133.db2.gz JENJUERFXKVGHU-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444882 723469323 /nfs/dbraw/zinc/46/93/23/723469323.db2.gz PWEDLYUTDATTSF-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444882 723469325 /nfs/dbraw/zinc/46/93/25/723469325.db2.gz PWEDLYUTDATTSF-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000984803231 723495484 /nfs/dbraw/zinc/49/54/84/723495484.db2.gz GNRHAIYJQLEJOH-ZVZYQTTQSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000984804186 723495847 /nfs/dbraw/zinc/49/58/47/723495847.db2.gz MPISHFPGMMSHPU-JPLJXNOCSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC000984804218 723495878 /nfs/dbraw/zinc/49/58/78/723495878.db2.gz NHZRACXOFSCLFK-BHIYHBOVSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000984804194 723496034 /nfs/dbraw/zinc/49/60/34/723496034.db2.gz MSBSLKWVGKLVQS-LNLFQRSKSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000984804187 723496041 /nfs/dbraw/zinc/49/60/41/723496041.db2.gz MPISHFPGMMSHPU-SOAMZJECSA-N 1 3 343.515 2.882 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000984804137 723496071 /nfs/dbraw/zinc/49/60/71/723496071.db2.gz LJXZHEQRFGFZRQ-YSSFQJQWSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1F ZINC000984805030 723496362 /nfs/dbraw/zinc/49/63/62/723496362.db2.gz RBJDVLMIQHHDKI-YYIAUSFCSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(F)c1 ZINC000984806402 723496592 /nfs/dbraw/zinc/49/65/92/723496592.db2.gz XLIABUBQEUIOOO-YYAJDYIMSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC000984802839 723500796 /nfs/dbraw/zinc/50/07/96/723500796.db2.gz CUQFGZLZPPQYTL-YYAJDYIMSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000984887640 723537324 /nfs/dbraw/zinc/53/73/24/723537324.db2.gz KQOXDDWQOVKAMK-BZSNNMDCSA-N 1 3 349.544 2.995 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000985074425 723817985 /nfs/dbraw/zinc/81/79/85/723817985.db2.gz WPSNMOJWQRWMJV-QGPMSJSTSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000985146185 723882201 /nfs/dbraw/zinc/88/22/01/723882201.db2.gz OVFUCGLBCHPKRI-ZULIPRJHSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC000985147337 723883422 /nfs/dbraw/zinc/88/34/22/723883422.db2.gz YPXJYCVDUXPBCL-HNBVOPMISA-N 1 3 343.515 2.852 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985148389 723885733 /nfs/dbraw/zinc/88/57/33/723885733.db2.gz HZMVFBFMJTYNDP-YOQCTACHSA-N 1 3 333.520 2.844 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000985149813 723887268 /nfs/dbraw/zinc/88/72/68/723887268.db2.gz PVQZHELFMZNDOM-YOQCTACHSA-N 1 3 329.488 2.544 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000985154601 723893005 /nfs/dbraw/zinc/89/30/05/723893005.db2.gz HWIYCHCDUMTAEL-SAABIXHNSA-N 1 3 329.488 2.646 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cnc4ccccc4c3)CC2)CC1 ZINC000727469772 724066083 /nfs/dbraw/zinc/06/60/83/724066083.db2.gz GKHQXQWFRYFZTR-UHFFFAOYSA-N 1 3 338.499 2.883 20 0 EFADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377575 724088023 /nfs/dbraw/zinc/08/80/23/724088023.db2.gz MIUBIIUZZSRKOX-YJBOKZPZSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377575 724088025 /nfs/dbraw/zinc/08/80/25/724088025.db2.gz MIUBIIUZZSRKOX-YJBOKZPZSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377573 724088066 /nfs/dbraw/zinc/08/80/66/724088066.db2.gz MIUBIIUZZSRKOX-MAUKXSAKSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377573 724088069 /nfs/dbraw/zinc/08/80/69/724088069.db2.gz MIUBIIUZZSRKOX-MAUKXSAKSA-N 1 3 345.466 2.959 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)C1 ZINC001029437026 724116468 /nfs/dbraw/zinc/11/64/68/724116468.db2.gz RPGQKDOQISCABF-TVFCKZIOSA-N 1 3 339.499 2.532 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CC[C@@H](C)F)C1 ZINC001029437026 724116470 /nfs/dbraw/zinc/11/64/70/724116470.db2.gz RPGQKDOQISCABF-TVFCKZIOSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327105 724128007 /nfs/dbraw/zinc/12/80/07/724128007.db2.gz CJUXSZILPMZBLJ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327105 724128009 /nfs/dbraw/zinc/12/80/09/724128009.db2.gz CJUXSZILPMZBLJ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327576 724128393 /nfs/dbraw/zinc/12/83/93/724128393.db2.gz IURXZJYQZDMYNU-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327576 724128398 /nfs/dbraw/zinc/12/83/98/724128398.db2.gz IURXZJYQZDMYNU-IBGZPJMESA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC000985331027 724134007 /nfs/dbraw/zinc/13/40/07/724134007.db2.gz CBNXGDLDXJYCGD-QGZVFWFLSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cs1 ZINC000985331027 724134009 /nfs/dbraw/zinc/13/40/09/724134009.db2.gz CBNXGDLDXJYCGD-QGZVFWFLSA-N 1 3 335.517 2.574 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331021 724134276 /nfs/dbraw/zinc/13/42/76/724134276.db2.gz BWJDWNQJSVSNQG-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985331021 724134278 /nfs/dbraw/zinc/13/42/78/724134278.db2.gz BWJDWNQJSVSNQG-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO CC1CCC(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000985335768 724137580 /nfs/dbraw/zinc/13/75/80/724137580.db2.gz YKFHSQKLLKZPFO-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCC(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000985335768 724137584 /nfs/dbraw/zinc/13/75/84/724137584.db2.gz YKFHSQKLLKZPFO-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO COc1ccc(C2=NO[C@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1F ZINC000895504228 724163850 /nfs/dbraw/zinc/16/38/50/724163850.db2.gz RZKNJRINIDQCII-INIZCTEOSA-N 1 3 349.450 2.790 20 0 EFADHO CCC[NH+]1CCC(NC(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000895521028 724173457 /nfs/dbraw/zinc/17/34/57/724173457.db2.gz CIYZLLAUSSEPGH-IBGZPJMESA-N 1 3 347.503 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029595703 724198872 /nfs/dbraw/zinc/19/88/72/724198872.db2.gz NKWUPVXPXDHMDV-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029595703 724198875 /nfs/dbraw/zinc/19/88/75/724198875.db2.gz NKWUPVXPXDHMDV-RWQQGDIJSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCCC1 ZINC001029598310 724203747 /nfs/dbraw/zinc/20/37/47/724203747.db2.gz CAGHBCMHWUGDGL-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCCC1 ZINC001029598310 724203749 /nfs/dbraw/zinc/20/37/49/724203749.db2.gz CAGHBCMHWUGDGL-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCCC1 ZINC001029598892 724204218 /nfs/dbraw/zinc/20/42/18/724204218.db2.gz PINVQGOXVJKERM-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CN1CCC(C[N@@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 ZINC000895587430 724208842 /nfs/dbraw/zinc/20/88/42/724208842.db2.gz SWFRMZSSMGECDM-FQEVSTJZSA-N 1 3 328.456 2.828 20 0 EFADHO CN1CCC(C[N@H+]2CCC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 ZINC000895587430 724208843 /nfs/dbraw/zinc/20/88/43/724208843.db2.gz SWFRMZSSMGECDM-FQEVSTJZSA-N 1 3 328.456 2.828 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc2c(c1)oc(=O)n2C ZINC000895683927 724261258 /nfs/dbraw/zinc/26/12/58/724261258.db2.gz YJUMJGAPCPGKTR-UHFFFAOYSA-N 1 3 331.460 2.829 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672729 724362530 /nfs/dbraw/zinc/36/25/30/724362530.db2.gz NLGSIKIZRCRGOR-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672729 724362536 /nfs/dbraw/zinc/36/25/36/724362536.db2.gz NLGSIKIZRCRGOR-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672728 724362600 /nfs/dbraw/zinc/36/26/00/724362600.db2.gz NLGSIKIZRCRGOR-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672728 724362604 /nfs/dbraw/zinc/36/26/04/724362604.db2.gz NLGSIKIZRCRGOR-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001029675602 724368938 /nfs/dbraw/zinc/36/89/38/724368938.db2.gz REYZFMXQJSLQRR-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1F ZINC001029675602 724368940 /nfs/dbraw/zinc/36/89/40/724368940.db2.gz REYZFMXQJSLQRR-PKOBYXMFSA-N 1 3 347.478 2.509 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001029675654 724369063 /nfs/dbraw/zinc/36/90/63/724369063.db2.gz SDEACRNDUGQHAW-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001029675654 724369068 /nfs/dbraw/zinc/36/90/68/724369068.db2.gz SDEACRNDUGQHAW-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985745260 724850066 /nfs/dbraw/zinc/85/00/66/724850066.db2.gz DKHYZVSBYOACQJ-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)CCF)CC1 ZINC000985745260 724850068 /nfs/dbraw/zinc/85/00/68/724850068.db2.gz DKHYZVSBYOACQJ-QGZVFWFLSA-N 1 3 327.488 2.533 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000985786459 724884253 /nfs/dbraw/zinc/88/42/53/724884253.db2.gz DHMKWHMXDGMHTO-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000985786459 724884256 /nfs/dbraw/zinc/88/42/56/724884256.db2.gz DHMKWHMXDGMHTO-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985792648 724888095 /nfs/dbraw/zinc/88/80/95/724888095.db2.gz NYRWXNQKVOPUOM-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985792648 724888098 /nfs/dbraw/zinc/88/80/98/724888098.db2.gz NYRWXNQKVOPUOM-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000985793291 724889633 /nfs/dbraw/zinc/88/96/33/724889633.db2.gz QMRNIOAQHBYDDP-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000985793291 724889635 /nfs/dbraw/zinc/88/96/35/724889635.db2.gz QMRNIOAQHBYDDP-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H]1[C@H](NCc2ccccc2Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986808660 724892539 /nfs/dbraw/zinc/89/25/39/724892539.db2.gz JJNKFOTUCOVMBA-KBXCAEBGSA-N 1 3 349.906 2.761 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC000985803796 724898086 /nfs/dbraw/zinc/89/80/86/724898086.db2.gz JZVHIGJEICOECX-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC000985803796 724898087 /nfs/dbraw/zinc/89/80/87/724898087.db2.gz JZVHIGJEICOECX-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H]1C ZINC000986936366 724960783 /nfs/dbraw/zinc/96/07/83/724960783.db2.gz HOXXSCPRSOOYQD-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940486 724962487 /nfs/dbraw/zinc/96/24/87/724962487.db2.gz QJHMLPSPNKZVBA-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001029875128 724972179 /nfs/dbraw/zinc/97/21/79/724972179.db2.gz DAFOXTPMJJGDHR-JLAWEPINSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001029875128 724972180 /nfs/dbraw/zinc/97/21/80/724972180.db2.gz DAFOXTPMJJGDHR-JLAWEPINSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933268 724974483 /nfs/dbraw/zinc/97/44/83/724974483.db2.gz BDJIINFHDFRTAB-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933278 724974498 /nfs/dbraw/zinc/97/44/98/724974498.db2.gz BDJIINFHDFRTAB-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986943553 724978152 /nfs/dbraw/zinc/97/81/52/724978152.db2.gz XFTHODBFIDAZRB-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)cc1 ZINC000986963246 724992065 /nfs/dbraw/zinc/99/20/65/724992065.db2.gz YAGBLEKAAUOWMU-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)cc1 ZINC000986963244 724992207 /nfs/dbraw/zinc/99/22/07/724992207.db2.gz YAGBLEKAAUOWMU-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC000994950176 728928493 /nfs/dbraw/zinc/92/84/93/728928493.db2.gz YOUSZRXFZRAXJB-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008767 725459787 /nfs/dbraw/zinc/45/97/87/725459787.db2.gz DFIOTAPOHBDWMI-DYXWJJEUSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008767 725459789 /nfs/dbraw/zinc/45/97/89/725459789.db2.gz DFIOTAPOHBDWMI-DYXWJJEUSA-N 1 3 345.531 2.774 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2N(Cc2ccsc2)CC3)CC1 ZINC000992147820 725563990 /nfs/dbraw/zinc/56/39/90/725563990.db2.gz WSWAGJHAOQLYJU-HKUYNNGSSA-N 1 3 347.528 2.703 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992194176 725608203 /nfs/dbraw/zinc/60/82/03/725608203.db2.gz WQTSJGXYUVTWNK-KFKAGJAMSA-N 1 3 339.499 2.722 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992194176 725608205 /nfs/dbraw/zinc/60/82/05/725608205.db2.gz WQTSJGXYUVTWNK-KFKAGJAMSA-N 1 3 339.499 2.722 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252026 725612403 /nfs/dbraw/zinc/61/24/03/725612403.db2.gz DAMSWGCTGQQAND-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255292 725613506 /nfs/dbraw/zinc/61/35/06/725613506.db2.gz NZGZBLPZVVEXGQ-VQIMIIECSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255826 725613902 /nfs/dbraw/zinc/61/39/02/725613902.db2.gz QROBNKXROMBTBT-WMZOPIPTSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255821 725613960 /nfs/dbraw/zinc/61/39/60/725613960.db2.gz QROBNKXROMBTBT-AEFFLSMTSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255823 725614053 /nfs/dbraw/zinc/61/40/53/725614053.db2.gz QROBNKXROMBTBT-FUHWJXTLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256961 725615171 /nfs/dbraw/zinc/61/51/71/725615171.db2.gz UURGQOJSRNNCKG-PKOBYXMFSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987257418 725615504 /nfs/dbraw/zinc/61/55/04/725615504.db2.gz WRDAKFDNFAONBT-MJGOQNOKSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@@H+]1CCCF ZINC000948055524 725654801 /nfs/dbraw/zinc/65/48/01/725654801.db2.gz CZZVPLUKQROLLH-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)CC[N@H+]1CCCF ZINC000948055524 725654803 /nfs/dbraw/zinc/65/48/03/725654803.db2.gz CZZVPLUKQROLLH-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@H](F)CN1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282726 725671943 /nfs/dbraw/zinc/67/19/43/725671943.db2.gz IWRBWBSKRRTDBR-JENIJYKNSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC000987526743 725735579 /nfs/dbraw/zinc/73/55/79/725735579.db2.gz RWFJVYMWBDFYAM-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(Cl)c1 ZINC000987522082 725738554 /nfs/dbraw/zinc/73/85/54/725738554.db2.gz FFAIHLULCAAELN-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987533775 725741326 /nfs/dbraw/zinc/74/13/26/725741326.db2.gz UBAQTPAEYYPRPR-FXAWDEMLSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987533777 725741529 /nfs/dbraw/zinc/74/15/29/725741529.db2.gz UBAQTPAEYYPRPR-XLIONFOSSA-N 1 3 343.515 2.985 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992512378 725916665 /nfs/dbraw/zinc/91/66/65/725916665.db2.gz RYWDJJRXPJCSAQ-UYAOXDASSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992512378 725916666 /nfs/dbraw/zinc/91/66/66/725916666.db2.gz RYWDJJRXPJCSAQ-UYAOXDASSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCCC4)[C@@H]3C2)CCC1 ZINC000992719544 726130145 /nfs/dbraw/zinc/13/01/45/726130145.db2.gz KJZQVBKEYMZSNI-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@@H]3C2)C1 ZINC000992806179 726244208 /nfs/dbraw/zinc/24/42/08/726244208.db2.gz DJYFGTWTRACFHS-IPMKNSEASA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000925280954 726260859 /nfs/dbraw/zinc/26/08/59/726260859.db2.gz CBOTYMQRXRJZLS-UXHICEINSA-N 1 3 337.552 2.730 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@@H]3C2)C1 ZINC000992821586 726265648 /nfs/dbraw/zinc/26/56/48/726265648.db2.gz VWIHTSJSEBMVHU-OTWHNJEPSA-N 1 3 347.547 2.735 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N1CCN(CC2CCCCC2)CC1 ZINC000729347886 726318698 /nfs/dbraw/zinc/31/86/98/726318698.db2.gz RMZKQJBQFASLJO-UHFFFAOYSA-N 1 3 335.536 2.977 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC000992921919 726339985 /nfs/dbraw/zinc/33/99/85/726339985.db2.gz DSXCCJONZYLLCI-QXAKKESOSA-N 1 3 347.478 2.548 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992923898 726340892 /nfs/dbraw/zinc/34/08/92/726340892.db2.gz IZHQSXXRMACIAX-HSALFYBXSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908145757 727102293 /nfs/dbraw/zinc/10/22/93/727102293.db2.gz IQSCYRRQKSIPNE-QAPCUYQASA-N 1 3 340.471 2.990 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)c1ccc(F)cc1 ZINC000908205787 727131530 /nfs/dbraw/zinc/13/15/30/727131530.db2.gz AMZYIARHTKWYSL-OKZBNKHCSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccc(F)cc1 ZINC000908205787 727131533 /nfs/dbraw/zinc/13/15/33/727131533.db2.gz AMZYIARHTKWYSL-OKZBNKHCSA-N 1 3 333.451 2.562 20 0 EFADHO CC[N@@H+]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000910289553 727428220 /nfs/dbraw/zinc/42/82/20/727428220.db2.gz TWKOPTMYIMGLCI-KRWDZBQOSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@H+]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H](C)C1 ZINC000910289553 727428221 /nfs/dbraw/zinc/42/82/21/727428221.db2.gz TWKOPTMYIMGLCI-KRWDZBQOSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1 ZINC000994252660 727675230 /nfs/dbraw/zinc/67/52/30/727675230.db2.gz MLCUXZLCHDTEPO-IEBWSBKVSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000912811789 727747465 /nfs/dbraw/zinc/74/74/65/727747465.db2.gz NXXDYOXZNARHRX-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC000913100292 727782165 /nfs/dbraw/zinc/78/21/65/727782165.db2.gz QOFPZRNYIAJSRZ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1)N1CCCC1 ZINC000995051814 727923308 /nfs/dbraw/zinc/92/33/08/727923308.db2.gz COPJXMXLNLQQBN-DOTOQJQBSA-N 1 3 349.544 2.997 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236787 727925621 /nfs/dbraw/zinc/92/56/21/727925621.db2.gz ARMKBQOZOSWTBD-GOSISDBHSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941236787 727925625 /nfs/dbraw/zinc/92/56/25/727925625.db2.gz ARMKBQOZOSWTBD-GOSISDBHSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H](CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)C[NH+]1CCCC1 ZINC000165312694 728029310 /nfs/dbraw/zinc/02/93/10/728029310.db2.gz BWXSUSPXQSMKOW-DYXWJJEUSA-N 1 3 345.531 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC000995187221 728216927 /nfs/dbraw/zinc/21/69/27/728216927.db2.gz RLQYENMOKNIXFE-SJORKVTESA-N 1 3 330.476 2.636 20 0 EFADHO C[C@@H](F)CCN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918696 728358171 /nfs/dbraw/zinc/35/81/71/728358171.db2.gz SITKTAVBCDKCEF-QAPCUYQASA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](F)CCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918696 728358173 /nfs/dbraw/zinc/35/81/73/728358173.db2.gz SITKTAVBCDKCEF-QAPCUYQASA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001031925653 728392476 /nfs/dbraw/zinc/39/24/76/728392476.db2.gz KFLHSMGCDBGOFT-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001031925653 728392478 /nfs/dbraw/zinc/39/24/78/728392478.db2.gz KFLHSMGCDBGOFT-HKUYNNGSSA-N 1 3 343.515 2.582 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[NH+]2CCCC2)[C@H](C)C2CC2)cc1 ZINC000919770910 729084318 /nfs/dbraw/zinc/08/43/18/729084318.db2.gz VKEGVATYSVTARH-VQIMIIECSA-N 1 3 332.488 2.752 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC1CCCC1 ZINC000939806539 729130103 /nfs/dbraw/zinc/13/01/03/729130103.db2.gz JZEGGWPIOIJXLZ-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031666539 729199106 /nfs/dbraw/zinc/19/91/06/729199106.db2.gz PRVOKGXIYLJVOY-TVPLGVNVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031665743 729200020 /nfs/dbraw/zinc/20/00/20/729200020.db2.gz GGZAZVMKLMLXFP-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031667051 729202102 /nfs/dbraw/zinc/20/21/02/729202102.db2.gz WKIAXDVJPJGTFG-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCCC2)C1 ZINC001031667052 729202121 /nfs/dbraw/zinc/20/21/21/729202121.db2.gz WKIAXDVJPJGTFG-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3C)C2)CC[N@@H+]1C ZINC001031684492 729257639 /nfs/dbraw/zinc/25/76/39/729257639.db2.gz PZAYMRFJJQBSNN-LSTHTHJFSA-N 1 3 343.515 2.834 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3C)C2)CC[N@H+]1C ZINC001031684492 729257641 /nfs/dbraw/zinc/25/76/41/729257641.db2.gz PZAYMRFJJQBSNN-LSTHTHJFSA-N 1 3 343.515 2.834 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)CC[N@@H+]1C ZINC001031684578 729258435 /nfs/dbraw/zinc/25/84/35/729258435.db2.gz SDLKICQIRLUVOT-ZYSHUDEJSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)CC[N@H+]1C ZINC001031684578 729258437 /nfs/dbraw/zinc/25/84/37/729258437.db2.gz SDLKICQIRLUVOT-ZYSHUDEJSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3c(C)cccc3C)C2)CC[N@@H+]1C ZINC001031684132 729260932 /nfs/dbraw/zinc/26/09/32/729260932.db2.gz IJCPVEOBNBTMMP-AZUAARDMSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3c(C)cccc3C)C2)CC[N@H+]1C ZINC001031684132 729260933 /nfs/dbraw/zinc/26/09/33/729260933.db2.gz IJCPVEOBNBTMMP-AZUAARDMSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C)cc3C)C2)CC[N@@H+]1C ZINC001031686704 729262672 /nfs/dbraw/zinc/26/26/72/729262672.db2.gz SEEDHMQLXVPLHF-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C)cc3C)C2)CC[N@H+]1C ZINC001031686704 729262677 /nfs/dbraw/zinc/26/26/77/729262677.db2.gz SEEDHMQLXVPLHF-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001031714784 729497343 /nfs/dbraw/zinc/49/73/43/729497343.db2.gz MVQYITDRRBPQOC-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001031714784 729497345 /nfs/dbraw/zinc/49/73/45/729497345.db2.gz MVQYITDRRBPQOC-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729583 729556133 /nfs/dbraw/zinc/55/61/33/729556133.db2.gz QFASJGJSXFUZIO-FQEVSTJZSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729583 729556137 /nfs/dbraw/zinc/55/61/37/729556137.db2.gz QFASJGJSXFUZIO-FQEVSTJZSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001031730041 729557246 /nfs/dbraw/zinc/55/72/46/729557246.db2.gz ZOWHQVPCZLOXQE-HXUWFJFHSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001031730041 729557248 /nfs/dbraw/zinc/55/72/48/729557248.db2.gz ZOWHQVPCZLOXQE-HXUWFJFHSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCCN1CCCC1 ZINC000180016682 729672604 /nfs/dbraw/zinc/67/26/04/729672604.db2.gz JVFUYRRXJZNRDI-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CC3)s1)C2 ZINC000922390052 1126134710 /nfs/dbraw/zinc/13/47/10/1126134710.db2.gz ZVKVPWZALZVXDH-CBZIJGRNSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnc(C3CC3)s1)C2 ZINC000922390052 1126134712 /nfs/dbraw/zinc/13/47/12/1126134712.db2.gz ZVKVPWZALZVXDH-CBZIJGRNSA-N 1 3 335.517 2.590 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922394286 1126135274 /nfs/dbraw/zinc/13/52/74/1126135274.db2.gz PQFPKPXXKIFVHO-AHCXZYCDSA-N 1 3 337.533 2.665 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922394286 1126135276 /nfs/dbraw/zinc/13/52/76/1126135276.db2.gz PQFPKPXXKIFVHO-AHCXZYCDSA-N 1 3 337.533 2.665 20 0 EFADHO C[C@@H](NC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[C@@H](c1ccccc1)N(C)C ZINC001646540488 1087852787 /nfs/dbraw/zinc/85/27/87/1087852787.db2.gz MYEGKWSMBCRPPS-FPAYPSAMSA-N 1 3 346.519 2.837 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001646739853 1088195301 /nfs/dbraw/zinc/19/53/01/1088195301.db2.gz ILXYTCOLLGGXHB-IUODEOHRSA-N 1 3 341.883 2.982 20 0 EFADHO CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]([NH3+])C(C)(C)C ZINC001646746553 1088205453 /nfs/dbraw/zinc/20/54/53/1088205453.db2.gz BAIZZWVJNPWWQQ-INIZCTEOSA-N 1 3 341.446 2.619 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001646751755 1088212396 /nfs/dbraw/zinc/21/23/96/1088212396.db2.gz YJUPMCHFTGNKTK-UHFFFAOYSA-N 1 3 343.446 2.531 20 0 EFADHO C[C@H](C(=O)N1[C@H](C)CNC[C@@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001575061812 1088221128 /nfs/dbraw/zinc/22/11/28/1088221128.db2.gz GUJUGCWWDHPWNB-FGTMMUONSA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2C2CC2)CC1 ZINC001575132866 1088259777 /nfs/dbraw/zinc/25/97/77/1088259777.db2.gz QSGTYNTVKIYBBS-INIZCTEOSA-N 1 3 346.523 2.596 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCc3cc(C[NH3+])ccc32)C1 ZINC001575138841 1088262929 /nfs/dbraw/zinc/26/29/29/1088262929.db2.gz GBIYLWUAYXXIDB-LJQANCHMSA-N 1 3 333.451 2.637 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](CCNC2CC([NH3+])C2)c2ccccc21 ZINC001575169021 1088284667 /nfs/dbraw/zinc/28/46/67/1088284667.db2.gz FQKODKRJSYCUSJ-WLYUNCDWSA-N 1 3 331.460 2.995 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](CC[NH2+]C2CC(N)C2)c2ccccc21 ZINC001575169021 1088284687 /nfs/dbraw/zinc/28/46/87/1088284687.db2.gz FQKODKRJSYCUSJ-WLYUNCDWSA-N 1 3 331.460 2.995 20 0 EFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CN[C@@H](C[NH3+])C1CCCC1 ZINC001575170765 1088287623 /nfs/dbraw/zinc/28/76/23/1088287623.db2.gz VHZKBPDQEKAOER-KBPBESRZSA-N 1 3 347.450 2.738 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCC[C@H]3CNCC[C@@H]32)CC1 ZINC001575184504 1088295492 /nfs/dbraw/zinc/29/54/92/1088295492.db2.gz VEAKFCMRHTWECP-IRXDYDNUSA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(C[N@H+]2CCC[C@H]3CNCC[C@@H]32)CC1 ZINC001575184504 1088295505 /nfs/dbraw/zinc/29/55/05/1088295505.db2.gz VEAKFCMRHTWECP-IRXDYDNUSA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575186766 1088296210 /nfs/dbraw/zinc/29/62/10/1088296210.db2.gz HXLDBWSXMGPTBX-GJYPPUQNSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2C[C@@H]3CCC[C@]3(N)C2)C1 ZINC001575186766 1088296233 /nfs/dbraw/zinc/29/62/33/1088296233.db2.gz HXLDBWSXMGPTBX-GJYPPUQNSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]1CCC[NH2+]CC1(CN)CCC1 ZINC001575191136 1088300484 /nfs/dbraw/zinc/30/04/84/1088300484.db2.gz NILICECSNSASGM-OAHLLOKOSA-N 1 3 325.497 2.885 20 0 EFADHO CC(C)(C)OC(=O)NCC1(NC[C@@H]([NH3+])CC(F)(F)F)CCCC1 ZINC001575219694 1088316763 /nfs/dbraw/zinc/31/67/63/1088316763.db2.gz ZLVYITPPSYKENW-NSHDSACASA-N 1 3 339.402 2.693 20 0 EFADHO CC(C)(CN)C[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001575314951 1088387029 /nfs/dbraw/zinc/38/70/29/1088387029.db2.gz FLHXLVGIJGCTHX-ZDUSSCGKSA-N 1 3 334.414 2.718 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001575421718 1088459308 /nfs/dbraw/zinc/45/93/08/1088459308.db2.gz BQCGNWFHUKNBRZ-CEXWTWQISA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001575421719 1088459383 /nfs/dbraw/zinc/45/93/83/1088459383.db2.gz BQCGNWFHUKNBRZ-OTWHNJEPSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)[C@H](NCc1cc(C2C[NH2+]C2)no1)[C@@H](O)c1ccc(Cl)cc1 ZINC001575472452 1088490185 /nfs/dbraw/zinc/49/01/85/1088490185.db2.gz MZJNHAREIJNWCT-ROUUACIJSA-N 1 3 349.862 2.863 20 0 EFADHO CC(C)[C@@H](NCc1cc(C2C[NH2+]C2)no1)[C@H](O)c1ccc(Cl)cc1 ZINC001575472450 1088491090 /nfs/dbraw/zinc/49/10/90/1088491090.db2.gz MZJNHAREIJNWCT-QZTJIDSGSA-N 1 3 349.862 2.863 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)N(C)C)cc1 ZINC001575648847 1088609488 /nfs/dbraw/zinc/60/94/88/1088609488.db2.gz RDUJIOIZOYYODM-AHRSYUTCSA-N 1 3 345.531 2.992 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(F)(F)CC1 ZINC001575933685 1088785356 /nfs/dbraw/zinc/78/53/56/1088785356.db2.gz JKDRUDCQOPLSEE-CVEARBPZSA-N 1 3 348.478 2.844 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCC1(OCCO)CCC(F)(F)CC1 ZINC001575933693 1088786018 /nfs/dbraw/zinc/78/60/18/1088786018.db2.gz JKDRUDCQOPLSEE-JKSUJKDBSA-N 1 3 348.478 2.844 20 0 EFADHO C[C@@H](CNC(=O)c1cc2c(s1)CNCC2)[N@H+](C)Cc1ccccc1 ZINC001576029374 1088864760 /nfs/dbraw/zinc/86/47/60/1088864760.db2.gz MENYZSMEPUFCNU-AWEZNQCLSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@@H](CNC(=O)c1cc2c(s1)CNCC2)[N@@H+](C)Cc1ccccc1 ZINC001576029374 1088864781 /nfs/dbraw/zinc/86/47/81/1088864781.db2.gz MENYZSMEPUFCNU-AWEZNQCLSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576117194 1088943732 /nfs/dbraw/zinc/94/37/32/1088943732.db2.gz JKJWHYXXYXUECZ-VQIMIIECSA-N 1 3 329.488 2.872 20 0 EFADHO CCN1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)C1 ZINC001647135902 1088975438 /nfs/dbraw/zinc/97/54/38/1088975438.db2.gz JADRFYFOLHOLOE-HOTGVXAUSA-N 1 3 334.460 2.621 20 0 EFADHO CC[NH+](CC)C1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC001647225357 1089126174 /nfs/dbraw/zinc/12/61/74/1089126174.db2.gz PCMXHHJLRBKTPN-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]CC3)C1 ZINC001647236336 1089144744 /nfs/dbraw/zinc/14/47/44/1089144744.db2.gz HOUYYBXYTJSDMP-HRAATJIYSA-N 1 3 349.478 2.898 20 0 EFADHO CC1(C)[C@H](N)C[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001576381815 1089165172 /nfs/dbraw/zinc/16/51/72/1089165172.db2.gz GXFCZWQTGLFIRR-JCURWCKSSA-N 1 3 346.425 2.859 20 0 EFADHO CC1(C)C[C@@H](c2ccccc2)[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394593 1089182605 /nfs/dbraw/zinc/18/26/05/1089182605.db2.gz RBZLLHJCOFSMLO-WMZOPIPTSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[C@@H](c2ccccc2)[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394593 1089182610 /nfs/dbraw/zinc/18/26/10/1089182610.db2.gz RBZLLHJCOFSMLO-WMZOPIPTSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[C@H](c2ccccc2)[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394590 1089183561 /nfs/dbraw/zinc/18/35/61/1089183561.db2.gz RBZLLHJCOFSMLO-FUHWJXTLSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC001576394590 1089183569 /nfs/dbraw/zinc/18/35/69/1089183569.db2.gz RBZLLHJCOFSMLO-FUHWJXTLSA-N 1 3 329.488 2.657 20 0 EFADHO CC1(C)C[NH2+][C@H]1C1CCN([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001576469621 1089275930 /nfs/dbraw/zinc/27/59/30/1089275930.db2.gz QNZHDJGZCTVLTJ-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NC(=O)C[C@H](N)c2ccccc2)CC1 ZINC001576534884 1089314585 /nfs/dbraw/zinc/31/45/85/1089314585.db2.gz VGWOORSVXIXYPK-FDYSRKEFSA-N 1 3 329.488 2.990 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc3c(s2)CCNC3)CC1 ZINC001576534774 1089314691 /nfs/dbraw/zinc/31/46/91/1089314691.db2.gz UCCJGEJJRUUUHB-UHFFFAOYSA-N 1 3 347.528 2.921 20 0 EFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC3(C[C@H]3NC(=O)OC(C)(C)C)C1)[NH2+]2 ZINC001576588114 1089339568 /nfs/dbraw/zinc/33/95/68/1089339568.db2.gz QBRXSEMAHFLKGZ-VHHFFJPASA-N 1 3 335.492 2.551 20 0 EFADHO C[C@@H]1C[C@H](CN2C[C@H]3CCC[C@@]3([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001576596998 1089343681 /nfs/dbraw/zinc/34/36/81/1089343681.db2.gz CPUAMOOZYHSYRG-YKTARERQSA-N 1 3 337.508 2.835 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC001576700332 1089402170 /nfs/dbraw/zinc/40/21/70/1089402170.db2.gz QLYHLDXDCDNXLW-RWQQGDIJSA-N 1 3 344.503 2.591 20 0 EFADHO COc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1C ZINC001647446389 1089416108 /nfs/dbraw/zinc/41/61/08/1089416108.db2.gz AHWKPGDARMJBDQ-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO CC(C)[C@H](CNC(=O)c1cc2c(s1)CNCC2)[NH+]1CCC(C)CC1 ZINC001576729428 1089423969 /nfs/dbraw/zinc/42/39/69/1089423969.db2.gz NVHWVZIFALLATP-INIZCTEOSA-N 1 3 349.544 2.880 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001576752665 1089437945 /nfs/dbraw/zinc/43/79/45/1089437945.db2.gz JMZJYWLNRHMRBC-RBSFLKMASA-N 1 3 325.497 2.610 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576782837 1089457666 /nfs/dbraw/zinc/45/76/66/1089457666.db2.gz KVFJFEIXMSMWDN-BZUAXINKSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001576797137 1089466678 /nfs/dbraw/zinc/46/66/78/1089466678.db2.gz AMOPXAFCXSBAOH-KONPQCLYSA-N 1 3 329.488 2.660 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC001576808852 1089469688 /nfs/dbraw/zinc/46/96/88/1089469688.db2.gz KBINKGYPNGQRSD-LMNJBCLMSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001576880305 1089505751 /nfs/dbraw/zinc/50/57/51/1089505751.db2.gz QMTFZTTUIUXINO-LISAXSMJSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@@H]1[C@H](C)NC[C@H](C)N1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001576880305 1089505760 /nfs/dbraw/zinc/50/57/60/1089505760.db2.gz QMTFZTTUIUXINO-LISAXSMJSA-N 1 3 347.478 2.635 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001576907855 1089521261 /nfs/dbraw/zinc/52/12/61/1089521261.db2.gz MLGYSBUQGHCKTK-UKBAYJJMSA-N 1 3 331.504 2.742 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001576970868 1089551262 /nfs/dbraw/zinc/55/12/62/1089551262.db2.gz MNGKYFNBOYGEKV-UZLBHIALSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001576970868 1089551279 /nfs/dbraw/zinc/55/12/79/1089551279.db2.gz MNGKYFNBOYGEKV-UZLBHIALSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576983165 1089562825 /nfs/dbraw/zinc/56/28/25/1089562825.db2.gz OWOBRYNBCFAVBT-NZSAHSFTSA-N 1 3 331.504 2.921 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21)c1ccco1 ZINC001577002166 1089578390 /nfs/dbraw/zinc/57/83/90/1089578390.db2.gz DJHJGPSTNVMDTH-HTBDUDNFSA-N 1 3 347.503 2.993 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC001577050581 1089614451 /nfs/dbraw/zinc/61/44/51/1089614451.db2.gz XFKPTMJBJOGIET-MRXNPFEDSA-N 1 3 337.533 2.893 20 0 EFADHO CC[C@H]([NH3+])Cn1c(C2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001577139377 1089691267 /nfs/dbraw/zinc/69/12/67/1089691267.db2.gz VNFXEMWSZZZZCM-UXLLHSPISA-N 1 3 348.539 2.592 20 0 EFADHO CC[C@H]1CN(Cc2ccccc2-n2nnc3ccccc32)CC[C@@H]1[NH3+] ZINC001577279203 1089794270 /nfs/dbraw/zinc/79/42/70/1089794270.db2.gz AIJRZNVACQHUCE-RDJZCZTQSA-N 1 3 335.455 2.980 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577300410 1089810596 /nfs/dbraw/zinc/81/05/96/1089810596.db2.gz SHIXRVGYSZHEJC-AQNXPRMDSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN(C(=O)C[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC001577488646 1090003405 /nfs/dbraw/zinc/00/34/05/1090003405.db2.gz DHOGBZXRHPEHMT-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001577491990 1090005237 /nfs/dbraw/zinc/00/52/37/1090005237.db2.gz CRCAVWXYGVFAKY-OTWHNJEPSA-N 1 3 329.488 2.627 20 0 EFADHO CCCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001577516654 1090028557 /nfs/dbraw/zinc/02/85/57/1090028557.db2.gz ZMVDVYUQMGHIOB-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CCCOC1(CNCc2ccc(N3CC[NH2+]CC3)o2)CCCCC1 ZINC001577577133 1090058262 /nfs/dbraw/zinc/05/82/62/1090058262.db2.gz CFNBOQJIZIOMNC-UHFFFAOYSA-N 1 3 335.492 2.908 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC001577579793 1090060589 /nfs/dbraw/zinc/06/05/89/1090060589.db2.gz GRQBGWSSGASQOY-IRXDYDNUSA-N 1 3 336.476 2.751 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)N(C)C)cc1 ZINC001578253634 1090318409 /nfs/dbraw/zinc/31/84/09/1090318409.db2.gz HNTIKUCWXDKHOJ-QZTJIDSGSA-N 1 3 333.520 2.992 20 0 EFADHO C[N@H+](CCC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC001578461418 1090377719 /nfs/dbraw/zinc/37/77/19/1090377719.db2.gz MTKGTIXYNIZYPU-LJQANCHMSA-N 1 3 345.487 2.941 20 0 EFADHO C[N@@H+](CCC(=O)Nc1ccc([C@H]2CNCCO2)cc1)C1CCCCC1 ZINC001578461418 1090377726 /nfs/dbraw/zinc/37/77/26/1090377726.db2.gz MTKGTIXYNIZYPU-LJQANCHMSA-N 1 3 345.487 2.941 20 0 EFADHO CN(Cc1ccc(Br)c(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001578485780 1090384188 /nfs/dbraw/zinc/38/41/88/1090384188.db2.gz PBKZVJSKYQZRKU-LBPRGKRZSA-N 1 3 343.240 2.541 20 0 EFADHO COC(=O)C1(c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@]4(CN)C3)cc2)CC1 ZINC001578784906 1090442911 /nfs/dbraw/zinc/44/29/11/1090442911.db2.gz XHEQEFHJLVMPBE-AZUAARDMSA-N 1 3 342.483 2.842 20 0 EFADHO COC(=O)C1(c2ccc(C[N@H+]3C[C@@H]4CCCC[C@@]4(CN)C3)cc2)CC1 ZINC001578784906 1090442914 /nfs/dbraw/zinc/44/29/14/1090442914.db2.gz XHEQEFHJLVMPBE-AZUAARDMSA-N 1 3 342.483 2.842 20 0 EFADHO COCC[C@H]([NH3+])CNCC(C)(C)c1cccc(Br)c1 ZINC001579001152 1090495434 /nfs/dbraw/zinc/49/54/34/1090495434.db2.gz FPZDIKTZFHILKT-AWEZNQCLSA-N 1 3 329.282 2.680 20 0 EFADHO COCOc1ccc(OC)cc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001579078727 1090515679 /nfs/dbraw/zinc/51/56/79/1090515679.db2.gz XREBWNOSFPOJPT-QGZVFWFLSA-N 1 3 348.487 2.890 20 0 EFADHO COc1cc(F)cc(CNCc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001579158253 1090530122 /nfs/dbraw/zinc/53/01/22/1090530122.db2.gz JRFQKRNFSYMRIG-UHFFFAOYSA-N 1 3 343.446 2.529 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCc3ccc(OC)cc3CC2)cc1 ZINC001579193465 1090540929 /nfs/dbraw/zinc/54/09/29/1090540929.db2.gz CTYGAHNDPHDPQJ-IBGZPJMESA-N 1 3 340.467 2.847 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCc3ccc(OC)cc3CC2)cc1 ZINC001579193465 1090540933 /nfs/dbraw/zinc/54/09/33/1090540933.db2.gz CTYGAHNDPHDPQJ-IBGZPJMESA-N 1 3 340.467 2.847 20 0 EFADHO COc1cccc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001579277408 1090576669 /nfs/dbraw/zinc/57/66/69/1090576669.db2.gz FBVIPVZVPYCAGV-CTXDPNEZSA-N 1 3 343.515 2.734 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC001579284993 1090578424 /nfs/dbraw/zinc/57/84/24/1090578424.db2.gz SZXNSKVAVNCCRU-KXBFYZLASA-N 1 3 334.460 2.676 20 0 EFADHO COc1cccc2[nH]cc(CC[NH2+]Cc3nc4c(s3)CNCC4)c21 ZINC001579289023 1090579840 /nfs/dbraw/zinc/57/98/40/1090579840.db2.gz ZCWFBPXQVSYMSD-UHFFFAOYSA-N 1 3 342.468 2.611 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C[C@H]2CC[C@@H]([NH3+])C2)N(C)C)cc1 ZINC001579388437 1090602396 /nfs/dbraw/zinc/60/23/96/1090602396.db2.gz ZVMLVGYQDXNKGD-LXZKKBNFSA-N 1 3 335.517 2.645 20 0 EFADHO Cc1c(C[C@H](CN)C[NH2+]CCCc2cccc(Cl)c2)cnn1C ZINC001579529090 1090627734 /nfs/dbraw/zinc/62/77/34/1090627734.db2.gz BVGOWKOCOOSKFD-MRXNPFEDSA-N 1 3 334.895 2.722 20 0 EFADHO Cc1cc(NC(=O)C[NH2+]CC(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC001579628589 1090646965 /nfs/dbraw/zinc/64/69/65/1090646965.db2.gz RJSPCGKENDZWNN-UHFFFAOYSA-N 1 3 346.519 2.710 20 0 EFADHO Cc1ccc(CN(CCCC(C)C)C[C@@H]2CC3(C[NH2+]C3)C(=O)O2)o1 ZINC001579690809 1090663083 /nfs/dbraw/zinc/66/30/83/1090663083.db2.gz CLECQSFWKGATFY-KRWDZBQOSA-N 1 3 334.460 2.731 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)(C)CN)C2)cc1 ZINC001579719891 1090670006 /nfs/dbraw/zinc/67/00/06/1090670006.db2.gz QRYYCKZXXJRRPQ-INIZCTEOSA-N 1 3 332.492 2.813 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)(C)CN)C2)cc1 ZINC001579719891 1090670008 /nfs/dbraw/zinc/67/00/08/1090670008.db2.gz QRYYCKZXXJRRPQ-INIZCTEOSA-N 1 3 332.492 2.813 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3(CN)CC3)C2)cc1 ZINC001579719515 1090670376 /nfs/dbraw/zinc/67/03/76/1090670376.db2.gz FSTAMHNURUMOGV-MRXNPFEDSA-N 1 3 330.476 2.567 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3(CN)CC3)C2)cc1 ZINC001579719515 1090670380 /nfs/dbraw/zinc/67/03/80/1090670380.db2.gz FSTAMHNURUMOGV-MRXNPFEDSA-N 1 3 330.476 2.567 20 0 EFADHO Cc1cccc(Cl)c1CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC001579764916 1090682181 /nfs/dbraw/zinc/68/21/81/1090682181.db2.gz IZFHNCJGPMJQOV-QAPCUYQASA-N 1 3 349.906 2.729 20 0 EFADHO Cc1ccccc1-n1cc(CN[C@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC001579785525 1090686051 /nfs/dbraw/zinc/68/60/51/1090686051.db2.gz PEBHMNQBMVFKKZ-IBGZPJMESA-N 1 3 339.487 2.978 20 0 EFADHO Cc1ccccc1O[C@H](C)CNCc1ccc(N2CC[NH2+]CC2)o1 ZINC001579805531 1090692509 /nfs/dbraw/zinc/69/25/09/1090692509.db2.gz UEBCLNQMCBSFDI-MRXNPFEDSA-N 1 3 329.444 2.555 20 0 EFADHO Fc1cc(OC(F)F)ccc1CNC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001580029610 1090746327 /nfs/dbraw/zinc/74/63/27/1090746327.db2.gz ZOEOTTDCCFEEAN-AWEZNQCLSA-N 1 3 344.377 2.675 20 0 EFADHO [NH3+][C@@H](CNC1CCN(Cc2ccc(Cl)cc2)CC1)CC(F)F ZINC001580131436 1090783506 /nfs/dbraw/zinc/78/35/06/1090783506.db2.gz DRCCNDWJWDBMKP-CQSZACIVSA-N 1 3 331.838 2.877 20 0 EFADHO [NH3+][C@H](CNCCc1ccc(Br)cc1F)CC(F)F ZINC001580131551 1090783702 /nfs/dbraw/zinc/78/37/02/1090783702.db2.gz DXYZXFZGHUKPIA-JTQLQIEISA-N 1 3 325.172 2.703 20 0 EFADHO [NH3+]CC1(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC001580245288 1090828831 /nfs/dbraw/zinc/82/88/31/1090828831.db2.gz YQCDVWVUSPXFFU-KRWDZBQOSA-N 1 3 347.478 2.816 20 0 EFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1cnc(-c3ccco3)s1)CC2 ZINC001580257139 1090837074 /nfs/dbraw/zinc/83/70/74/1090837074.db2.gz BCVPTZCYDQODPM-CYBMUJFWSA-N 1 3 333.457 2.733 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3CCCCN3C3CC3)cc21 ZINC001580264129 1090840939 /nfs/dbraw/zinc/84/09/39/1090840939.db2.gz FNVNUUPXTJFSES-HKUYNNGSSA-N 1 3 341.499 2.812 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)c1ccc(Br)cc1)C2 ZINC001580335094 1090866619 /nfs/dbraw/zinc/86/66/19/1090866619.db2.gz YXHOXKNTQHJLFL-IMJJTQAJSA-N 1 3 339.277 2.543 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349337 1090873259 /nfs/dbraw/zinc/87/32/59/1090873259.db2.gz TXYIKPPUEQXCPH-MSOLQXFVSA-N 1 3 347.507 2.646 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCCCC4)O3)C2)nn1 ZINC001580349337 1090873266 /nfs/dbraw/zinc/87/32/66/1090873266.db2.gz TXYIKPPUEQXCPH-MSOLQXFVSA-N 1 3 347.507 2.646 20 0 EFADHO [NH3+][C@@H]1CC[C@H](CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001580388544 1090885992 /nfs/dbraw/zinc/88/59/92/1090885992.db2.gz LMRUIFSAFVMTEG-UHOSZYNNSA-N 1 3 344.503 2.640 20 0 EFADHO O=C(OCc1ccccc1)N1CCC[C@H](N[C@H]2CCC[NH2+]CC2)C1 ZINC001580802596 1091014531 /nfs/dbraw/zinc/01/45/31/1091014531.db2.gz BVAGTSJJSKVMLG-ROUUACIJSA-N 1 3 331.460 2.519 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@]12CC[NH2+]C2 ZINC001580820486 1091020213 /nfs/dbraw/zinc/02/02/13/1091020213.db2.gz AXCPZAYKUTXUHV-HXUWFJFHSA-N 1 3 327.472 2.641 20 0 EFADHO O[C@]1(CN2CCc3c(cccc3C(F)(F)F)C2)CCC[NH2+]CC1 ZINC001580879990 1091033593 /nfs/dbraw/zinc/03/35/93/1091033593.db2.gz IMXWZDKGMOOGIL-MRXNPFEDSA-N 1 3 328.378 2.568 20 0 EFADHO CC[C@H](C[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1)OC ZINC001115601757 1092659947 /nfs/dbraw/zinc/65/99/47/1092659947.db2.gz PZZWGKWLPARKJD-MRXNPFEDSA-N 1 3 341.540 2.550 20 0 EFADHO O=C1[C@H](N2CCCC3(CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC001649850117 1092737771 /nfs/dbraw/zinc/73/77/71/1092737771.db2.gz QYKAXIRDJKUSTK-GOSISDBHSA-N 1 3 345.462 2.787 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448491 1092763822 /nfs/dbraw/zinc/76/38/22/1092763822.db2.gz ZKSLNNYLCSWSBC-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC001075448491 1092763826 /nfs/dbraw/zinc/76/38/26/1092763826.db2.gz ZKSLNNYLCSWSBC-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)[C@H](C[NH2+]CC2CCC2)C1 ZINC001087212039 1092854151 /nfs/dbraw/zinc/85/41/51/1092854151.db2.gz LGFJHYQETXLREI-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001087212407 1092860791 /nfs/dbraw/zinc/86/07/91/1092860791.db2.gz ALGWPSHVDZLOOZ-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001087212412 1092862188 /nfs/dbraw/zinc/86/21/88/1092862188.db2.gz AODLDRPPNIOHNF-HBFSDRIKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2ccccc2)C1 ZINC001087212740 1092868262 /nfs/dbraw/zinc/86/82/62/1092868262.db2.gz OJNAGFVBHNGKAX-GGPKGHCWSA-N 1 3 343.515 2.745 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001650005186 1092872352 /nfs/dbraw/zinc/87/23/52/1092872352.db2.gz LIJQVLQTMVBSFG-QRVBRYPASA-N 1 3 347.503 2.723 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC001650160681 1092990610 /nfs/dbraw/zinc/99/06/10/1092990610.db2.gz RBHYZZZRYDKQIN-MJGOQNOKSA-N 1 3 342.483 2.901 20 0 EFADHO Cc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001167626448 1093146033 /nfs/dbraw/zinc/14/60/33/1093146033.db2.gz BBBWYJLOCNMCIW-IBGZPJMESA-N 1 3 331.504 2.854 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)c(C)n1 ZINC001167627877 1093148329 /nfs/dbraw/zinc/14/83/29/1093148329.db2.gz TUHHTXKQFXBYGV-IBGZPJMESA-N 1 3 346.519 2.557 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)cs1 ZINC001167628069 1093148715 /nfs/dbraw/zinc/14/87/15/1093148715.db2.gz WBIGQDNFZSQNQL-KRWDZBQOSA-N 1 3 337.533 2.915 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961765 1093196404 /nfs/dbraw/zinc/19/64/04/1093196404.db2.gz PIHZNJUQJWRXQH-LSDHHAIUSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961765 1093196407 /nfs/dbraw/zinc/19/64/07/1093196407.db2.gz PIHZNJUQJWRXQH-LSDHHAIUSA-N 1 3 343.479 2.567 20 0 EFADHO C[C@@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001590047457 1093243095 /nfs/dbraw/zinc/24/30/95/1093243095.db2.gz SVYHYUBZGFTZCG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@@H](c1cccc(-c2nn[n-]n2)c1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC001590047457 1093243103 /nfs/dbraw/zinc/24/31/03/1093243103.db2.gz SVYHYUBZGFTZCG-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+](CCN(C)C)Cc1ccccc1 ZINC001204604115 1093276841 /nfs/dbraw/zinc/27/68/41/1093276841.db2.gz ASNZXKAJONFNRZ-WBVHZDCISA-N 1 3 325.447 2.541 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001204604115 1093276849 /nfs/dbraw/zinc/27/68/49/1093276849.db2.gz ASNZXKAJONFNRZ-WBVHZDCISA-N 1 3 325.447 2.541 20 0 EFADHO CC1(C[NH2+][C@@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)CC[NH2+]CC1 ZINC001590131581 1093281023 /nfs/dbraw/zinc/28/10/23/1093281023.db2.gz OMWBCEBGQWJCNR-QGZVFWFLSA-N 1 3 340.475 2.614 20 0 EFADHO CC1(C[NH2+][C@@H]2CCCCc3cc(-c4nn[n-]n4)ccc32)CC[NH2+]CC1 ZINC001590131581 1093281030 /nfs/dbraw/zinc/28/10/30/1093281030.db2.gz OMWBCEBGQWJCNR-QGZVFWFLSA-N 1 3 340.475 2.614 20 0 EFADHO CC1(C[NH2+][C@H]2CCCCc3cc(-c4nnn[n-]4)ccc32)CC[NH2+]CC1 ZINC001590131580 1093281250 /nfs/dbraw/zinc/28/12/50/1093281250.db2.gz OMWBCEBGQWJCNR-KRWDZBQOSA-N 1 3 340.475 2.614 20 0 EFADHO CC1(C[NH2+][C@H]2CCCCc3cc(-c4nn[n-]n4)ccc32)CC[NH2+]CC1 ZINC001590131580 1093281254 /nfs/dbraw/zinc/28/12/54/1093281254.db2.gz OMWBCEBGQWJCNR-KRWDZBQOSA-N 1 3 340.475 2.614 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461767 1093330550 /nfs/dbraw/zinc/33/05/50/1093330550.db2.gz RCRNFOPGQMCDRZ-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461767 1093330556 /nfs/dbraw/zinc/33/05/56/1093330556.db2.gz RCRNFOPGQMCDRZ-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465310 1093436225 /nfs/dbraw/zinc/43/62/25/1093436225.db2.gz GIGVPYLYFSTKFK-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465310 1093436233 /nfs/dbraw/zinc/43/62/33/1093436233.db2.gz GIGVPYLYFSTKFK-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO c1c(CNCC2CCN(c3cc[nH+]cc3)CC2)nnn1-c1ccccc1 ZINC001650842069 1093500421 /nfs/dbraw/zinc/50/04/21/1093500421.db2.gz NGZREWKRSILMBB-UHFFFAOYSA-N 1 3 348.454 2.669 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2c1cccc2Cl ZINC001480931709 1093528244 /nfs/dbraw/zinc/52/82/44/1093528244.db2.gz BXSGVYHHNBGHKE-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2c1cccc2Cl ZINC001480931709 1093528255 /nfs/dbraw/zinc/52/82/55/1093528255.db2.gz BXSGVYHHNBGHKE-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194743633 1094371871 /nfs/dbraw/zinc/37/18/71/1094371871.db2.gz RBVBWJFFZOTMAO-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194743633 1094371886 /nfs/dbraw/zinc/37/18/86/1094371886.db2.gz RBVBWJFFZOTMAO-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001480938649 1094412961 /nfs/dbraw/zinc/41/29/61/1094412961.db2.gz LRTSKGUIUGLDPI-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001480938649 1094412969 /nfs/dbraw/zinc/41/29/69/1094412969.db2.gz LRTSKGUIUGLDPI-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC2CC2)C1 ZINC001211625697 1094459565 /nfs/dbraw/zinc/45/95/65/1094459565.db2.gz SJCQXOMHVZDRRR-RBUKOAKNSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccsc1 ZINC001104676540 1094589349 /nfs/dbraw/zinc/58/93/49/1094589349.db2.gz ORIGVMHVOVZLAO-SOLBZPMBSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001104680564 1094608070 /nfs/dbraw/zinc/60/80/70/1094608070.db2.gz SPWGCNYOBJTXBJ-ZHALLVOQSA-N 1 3 349.563 2.839 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001104691137 1094643510 /nfs/dbraw/zinc/64/35/10/1094643510.db2.gz KAWOFKGJATXXMP-SUMDDJOVSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001104691564 1094645813 /nfs/dbraw/zinc/64/58/13/1094645813.db2.gz PMJWVBTVQLWSKG-SUMDDJOVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001104728881 1094764599 /nfs/dbraw/zinc/76/45/99/1094764599.db2.gz FVJAPORNWTZMAO-GVDBMIGSSA-N 1 3 334.508 2.709 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1 ZINC001211690675 1094772512 /nfs/dbraw/zinc/77/25/12/1094772512.db2.gz HSCZPYNRETWCHH-VQTJNVASSA-N 1 3 345.531 2.959 20 0 EFADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529994 1094772911 /nfs/dbraw/zinc/77/29/11/1094772911.db2.gz YKQCGNIEQKVMPT-HBFSDRIKSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001480950912 1094777337 /nfs/dbraw/zinc/77/73/37/1094777337.db2.gz MEYUUKFFQPWTNN-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001211690832 1094777763 /nfs/dbraw/zinc/77/77/63/1094777763.db2.gz MBVUVXDTYMXINT-VQTJNVASSA-N 1 3 343.515 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](CC)c2ccccc2)C1 ZINC001481120876 1094782804 /nfs/dbraw/zinc/78/28/04/1094782804.db2.gz NFTGWPRTQRTQOV-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001481120876 1094782807 /nfs/dbraw/zinc/78/28/07/1094782807.db2.gz NFTGWPRTQRTQOV-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001481153851 1095015603 /nfs/dbraw/zinc/01/56/03/1095015603.db2.gz NQUJGZWHXWQWCW-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001481153851 1095015617 /nfs/dbraw/zinc/01/56/17/1095015617.db2.gz NQUJGZWHXWQWCW-INIZCTEOSA-N 1 3 337.895 2.620 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCC(C)C)C1)N(C)C ZINC001112531789 1095103248 /nfs/dbraw/zinc/10/32/48/1095103248.db2.gz PYLNVOVXKOQGBQ-BJLQDIEVSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCc2ccccc2F)CC1 ZINC001167815746 1095104365 /nfs/dbraw/zinc/10/43/65/1095104365.db2.gz ZMRYAAZUYRBGEI-UHFFFAOYSA-N 1 3 349.494 2.586 20 0 EFADHO CC[NH+](CC)CCN1CCN(CCCc2ccc(OC)cc2)CC1 ZINC001207571904 1095110032 /nfs/dbraw/zinc/11/00/32/1095110032.db2.gz AGTYOHYWKXIVGV-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001421869454 1095138893 /nfs/dbraw/zinc/13/88/93/1095138893.db2.gz WDQOLUQZQDJBAP-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO Cc1cc(CN(C)CCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC001421869454 1095138903 /nfs/dbraw/zinc/13/89/03/1095138903.db2.gz WDQOLUQZQDJBAP-NVXWUHKLSA-N 1 3 337.533 2.677 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](Cc1ccccc1C1CC1)C1CC1 ZINC001481181236 1095157584 /nfs/dbraw/zinc/15/75/84/1095157584.db2.gz PJOUNSAXCWJNNW-HXUWFJFHSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](Cc1ccccc1C1CC1)C1CC1 ZINC001481181236 1095157591 /nfs/dbraw/zinc/15/75/91/1095157591.db2.gz PJOUNSAXCWJNNW-HXUWFJFHSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001481182915 1095168613 /nfs/dbraw/zinc/16/86/13/1095168613.db2.gz PFMWCGCZLJLBCL-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001268082606 1095224503 /nfs/dbraw/zinc/22/45/03/1095224503.db2.gz DUVWESOKUUUORT-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2ccc(Cl)nn2)CC1 ZINC001167841036 1095363947 /nfs/dbraw/zinc/36/39/47/1095363947.db2.gz JPMUUEIFESTTCV-HNNXBMFYSA-N 1 3 339.915 2.763 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2ccc(Cl)nn2)CC1 ZINC001167841039 1095364032 /nfs/dbraw/zinc/36/40/32/1095364032.db2.gz JPMUUEIFESTTCV-OAHLLOKOSA-N 1 3 339.915 2.763 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(C)c(F)c1 ZINC001480974780 1095633306 /nfs/dbraw/zinc/63/33/06/1095633306.db2.gz WCVITAPHINHUOE-IBGZPJMESA-N 1 3 349.494 2.945 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(C)c(F)c1 ZINC001480974780 1095633310 /nfs/dbraw/zinc/63/33/10/1095633310.db2.gz WCVITAPHINHUOE-IBGZPJMESA-N 1 3 349.494 2.945 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001100770714 1095649146 /nfs/dbraw/zinc/64/91/46/1095649146.db2.gz LJRABOVRPUUMPV-FHERZECASA-N 1 3 345.478 2.638 20 0 EFADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cc2ccccc2o1 ZINC001481000233 1095725972 /nfs/dbraw/zinc/72/59/72/1095725972.db2.gz SCFWFASWRLWCSV-INIZCTEOSA-N 1 3 343.471 2.713 20 0 EFADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cc2ccccc2o1 ZINC001481000233 1095725981 /nfs/dbraw/zinc/72/59/81/1095725981.db2.gz SCFWFASWRLWCSV-INIZCTEOSA-N 1 3 343.471 2.713 20 0 EFADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cc2ccccc2o1 ZINC001481000234 1095726318 /nfs/dbraw/zinc/72/63/18/1095726318.db2.gz SCFWFASWRLWCSV-MRXNPFEDSA-N 1 3 343.471 2.713 20 0 EFADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cc2ccccc2o1 ZINC001481000234 1095726329 /nfs/dbraw/zinc/72/63/29/1095726329.db2.gz SCFWFASWRLWCSV-MRXNPFEDSA-N 1 3 343.471 2.713 20 0 EFADHO CCN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1cc(C)sc1C ZINC001481001226 1095731043 /nfs/dbraw/zinc/73/10/43/1095731043.db2.gz POLDKCSKCWTZRO-AWEZNQCLSA-N 1 3 337.533 2.645 20 0 EFADHO CCN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1cc(C)sc1C ZINC001481001226 1095731056 /nfs/dbraw/zinc/73/10/56/1095731056.db2.gz POLDKCSKCWTZRO-AWEZNQCLSA-N 1 3 337.533 2.645 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000981958061 1095795308 /nfs/dbraw/zinc/79/53/08/1095795308.db2.gz AHZXIPRANQIYEH-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000981958061 1095795314 /nfs/dbraw/zinc/79/53/14/1095795314.db2.gz AHZXIPRANQIYEH-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960445 1095820328 /nfs/dbraw/zinc/82/03/28/1095820328.db2.gz VXWSGSJHSWNXDH-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960445 1095820346 /nfs/dbraw/zinc/82/03/46/1095820346.db2.gz VXWSGSJHSWNXDH-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960442 1095822807 /nfs/dbraw/zinc/82/28/07/1095822807.db2.gz VXWSGSJHSWNXDH-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960442 1095822833 /nfs/dbraw/zinc/82/28/33/1095822833.db2.gz VXWSGSJHSWNXDH-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)CC1 ZINC000981982071 1095961073 /nfs/dbraw/zinc/96/10/73/1095961073.db2.gz JRHSVFONEZBZAM-UHFFFAOYSA-N 1 3 347.528 2.514 20 0 EFADHO N=C(NCCCC[NH3+])Nc1ncnc2scc(-c3ccco3)c21 ZINC001167880603 1096147745 /nfs/dbraw/zinc/14/77/45/1096147745.db2.gz RAAIJQGLOSSPIJ-UHFFFAOYSA-N 1 3 330.417 2.626 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(C)C)C1 ZINC001211711562 1096253554 /nfs/dbraw/zinc/25/35/54/1096253554.db2.gz LSAFXPZVRYZZFP-RBUKOAKNSA-N 1 3 331.504 2.568 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CC2CCC2)CCCCC1 ZINC001481675372 1096286883 /nfs/dbraw/zinc/28/68/83/1096286883.db2.gz LXXSKZVVLGBHOY-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001211713881 1096311303 /nfs/dbraw/zinc/31/13/03/1096311303.db2.gz XORWOGSPXYTACK-VQTJNVASSA-N 1 3 343.515 2.713 20 0 EFADHO Cc1cc(CN2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001481737976 1096473106 /nfs/dbraw/zinc/47/31/06/1096473106.db2.gz FOHJJNBRNUAKAR-KRWDZBQOSA-N 1 3 349.544 2.739 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481749432 1096528085 /nfs/dbraw/zinc/52/80/85/1096528085.db2.gz SOJADAVQJRQFCD-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001481749432 1096528092 /nfs/dbraw/zinc/52/80/92/1096528092.db2.gz SOJADAVQJRQFCD-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001603603922 1096565372 /nfs/dbraw/zinc/56/53/72/1096565372.db2.gz QBAIXMLJTYIPAK-RYUDHWBXSA-N 1 3 340.406 2.876 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001603603924 1096565742 /nfs/dbraw/zinc/56/57/42/1096565742.db2.gz QBAIXMLJTYIPAK-VXGBXAGGSA-N 1 3 340.406 2.876 20 0 EFADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603651360 1096577281 /nfs/dbraw/zinc/57/72/81/1096577281.db2.gz QTDHYHARMGZFBU-XGNXJENSSA-N 1 3 332.427 2.529 20 0 EFADHO C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603651360 1096577287 /nfs/dbraw/zinc/57/72/87/1096577287.db2.gz QTDHYHARMGZFBU-XGNXJENSSA-N 1 3 332.427 2.529 20 0 EFADHO CC(C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211730083 1096608701 /nfs/dbraw/zinc/60/87/01/1096608701.db2.gz NJSTZYGPALWZTM-RBUKOAKNSA-N 1 3 331.504 2.567 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cc(C)sc1C ZINC001161246169 1096632381 /nfs/dbraw/zinc/63/23/81/1096632381.db2.gz XCLHTEKHCFJHHZ-UHFFFAOYSA-N 1 3 325.522 2.691 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001481820508 1096745504 /nfs/dbraw/zinc/74/55/04/1096745504.db2.gz NTVPMUREQVLGAL-AUUYWEPGSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1ccccc1Cl ZINC001481821690 1096746018 /nfs/dbraw/zinc/74/60/18/1096746018.db2.gz RXFUJCNSXCLSFK-RDJZCZTQSA-N 1 3 339.911 2.911 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C\Cl)CC1 ZINC001482023062 1097096549 /nfs/dbraw/zinc/09/65/49/1097096549.db2.gz PHDAVBNNGXYTOD-CVVUDGNYSA-N 1 3 336.307 2.664 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(C)C)cc1 ZINC001482035547 1097137086 /nfs/dbraw/zinc/13/70/86/1097137086.db2.gz DMJPXRGSBBRGCV-IBGZPJMESA-N 1 3 331.504 2.923 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001482107016 1097267147 /nfs/dbraw/zinc/26/71/47/1097267147.db2.gz FFSGLOJBZFKKFV-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccccc1Cl ZINC001482141151 1097395295 /nfs/dbraw/zinc/39/52/95/1097395295.db2.gz AXGPJQZWVXYMQV-HUUCEWRRSA-N 1 3 337.895 2.524 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccccc1Cl ZINC001482141142 1097395357 /nfs/dbraw/zinc/39/53/57/1097395357.db2.gz AXGPJQZWVXYMQV-CABCVRRESA-N 1 3 337.895 2.524 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1cccc(F)c1 ZINC001482141759 1097396656 /nfs/dbraw/zinc/39/66/56/1097396656.db2.gz GNWFYJGOERLNNJ-OAHLLOKOSA-N 1 3 337.483 2.646 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccccc1C1CC1 ZINC001482144987 1097401204 /nfs/dbraw/zinc/40/12/04/1097401204.db2.gz VIELDZGLJHTTSJ-IAGOWNOFSA-N 1 3 343.515 2.748 20 0 EFADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(C)c2)CC1 ZINC001609223140 1098211346 /nfs/dbraw/zinc/21/13/46/1098211346.db2.gz VJUHYFCMIKZYER-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)c(C)c2)CC1 ZINC001609223140 1098211353 /nfs/dbraw/zinc/21/13/53/1098211353.db2.gz VJUHYFCMIKZYER-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104802261 1098625426 /nfs/dbraw/zinc/62/54/26/1098625426.db2.gz CURHSQGGNNKERZ-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001104809877 1098637766 /nfs/dbraw/zinc/63/77/66/1098637766.db2.gz UDHGKFRLZSPWPX-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001270180645 1098770580 /nfs/dbraw/zinc/77/05/80/1098770580.db2.gz LMSVTYVBVFELGB-INIZCTEOSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[C@H](CC)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001270180645 1098770590 /nfs/dbraw/zinc/77/05/90/1098770590.db2.gz LMSVTYVBVFELGB-INIZCTEOSA-N 1 3 332.492 2.703 20 0 EFADHO COc1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ccc1O ZINC001167962019 1098799345 /nfs/dbraw/zinc/79/93/45/1098799345.db2.gz SBAWEQVWHQMUIW-AYHJJNSGSA-N 1 3 330.472 2.938 20 0 EFADHO COc1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ccc1O ZINC001167962019 1098799357 /nfs/dbraw/zinc/79/93/57/1098799357.db2.gz SBAWEQVWHQMUIW-AYHJJNSGSA-N 1 3 330.472 2.938 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104937514 1099085014 /nfs/dbraw/zinc/08/50/14/1099085014.db2.gz BLQRAAHYONDZSC-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001104938276 1099092116 /nfs/dbraw/zinc/09/21/16/1099092116.db2.gz RLONUPWHTOMTHS-QZTJIDSGSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524593 1099237437 /nfs/dbraw/zinc/23/74/37/1099237437.db2.gz XNOCEFHJNPCXFH-NSHGMRRFSA-N 1 3 335.536 2.757 20 0 EFADHO CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H](F)CN(CC)CC)CCCCC1 ZINC001115559755 1099327126 /nfs/dbraw/zinc/32/71/26/1099327126.db2.gz HBBSBUXWDIAGCN-JKSUJKDBSA-N 1 3 347.494 2.823 20 0 EFADHO O=C(N[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CC1)C1CC1 ZINC001167975046 1099362891 /nfs/dbraw/zinc/36/28/91/1099362891.db2.gz GGCVISIAGLGQJE-LJRDSGNISA-N 1 3 345.531 2.819 20 0 EFADHO CCCCN(C)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141564707 1099389981 /nfs/dbraw/zinc/38/99/81/1099389981.db2.gz JCMDSTQRHOLVKJ-UHFFFAOYSA-N 1 3 336.524 2.935 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001270671965 1099431394 /nfs/dbraw/zinc/43/13/94/1099431394.db2.gz GMQFMCKFXSVBBA-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001270671965 1099431401 /nfs/dbraw/zinc/43/14/01/1099431401.db2.gz GMQFMCKFXSVBBA-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000030907282 1099481611 /nfs/dbraw/zinc/48/16/11/1099481611.db2.gz FZXYAZNKVCDLCL-CQSZACIVSA-N 1 3 326.444 2.659 20 0 EFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001105064518 1099527593 /nfs/dbraw/zinc/52/75/93/1099527593.db2.gz STYIRXXZWUALEL-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1 ZINC001105067152 1099542099 /nfs/dbraw/zinc/54/20/99/1099542099.db2.gz PJMOKCIILTVLCS-IAGOWNOFSA-N 1 3 329.504 2.541 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CC2)C1 ZINC001105066996 1099547010 /nfs/dbraw/zinc/54/70/10/1099547010.db2.gz IIFQRRYYFIRSHU-BHIYHBOVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](CNCc1sccc1Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482326020 1099568589 /nfs/dbraw/zinc/56/85/89/1099568589.db2.gz OKVLEMHPRMRVSA-GFCCVEGCSA-N 1 3 343.924 2.680 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172833 1099626752 /nfs/dbraw/zinc/62/67/52/1099626752.db2.gz HKJKRTQJQJZILZ-KRWDZBQOSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@@H]1[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989012 1099670399 /nfs/dbraw/zinc/67/03/99/1099670399.db2.gz RWMXKYRCJBHWPU-SHDFEDOASA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@@H]1[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989012 1099670400 /nfs/dbraw/zinc/67/04/00/1099670400.db2.gz RWMXKYRCJBHWPU-SHDFEDOASA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@@H]1N(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989012 1099670406 /nfs/dbraw/zinc/67/04/06/1099670406.db2.gz RWMXKYRCJBHWPU-SHDFEDOASA-N 1 3 345.531 2.915 20 0 EFADHO CC[C@@H]1N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC[C@]12CCC(=O)N2 ZINC001167989012 1099670408 /nfs/dbraw/zinc/67/04/08/1099670408.db2.gz RWMXKYRCJBHWPU-SHDFEDOASA-N 1 3 345.531 2.915 20 0 EFADHO CC(C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1c1ccccc1 ZINC001211677017 1099782425 /nfs/dbraw/zinc/78/24/25/1099782425.db2.gz YOOQLMFGJIXBRO-RBUKOAKNSA-N 1 3 345.531 2.957 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC2CCCC2)C1 ZINC001112536170 1099823911 /nfs/dbraw/zinc/82/39/11/1099823911.db2.gz UNNAMEAMZHSGGS-PXNSSMCTSA-N 1 3 344.503 2.751 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785294 1099855274 /nfs/dbraw/zinc/85/52/74/1099855274.db2.gz XRNWMUJFRJCZCG-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001075785294 1099855280 /nfs/dbraw/zinc/85/52/80/1099855280.db2.gz XRNWMUJFRJCZCG-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001075785251 1099857515 /nfs/dbraw/zinc/85/75/15/1099857515.db2.gz WSAPGKMPNXWAFL-XUVXKRRUSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001075785251 1099857517 /nfs/dbraw/zinc/85/75/17/1099857517.db2.gz WSAPGKMPNXWAFL-XUVXKRRUSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001075785251 1099857520 /nfs/dbraw/zinc/85/75/20/1099857520.db2.gz WSAPGKMPNXWAFL-XUVXKRRUSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001075785251 1099857527 /nfs/dbraw/zinc/85/75/27/1099857527.db2.gz WSAPGKMPNXWAFL-XUVXKRRUSA-N 1 3 341.499 2.592 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680082 1099859896 /nfs/dbraw/zinc/85/98/96/1099859896.db2.gz GEOVLDQLZZWBPV-ZYSHUDEJSA-N 1 3 340.471 2.583 20 0 EFADHO CC(=O)N1CC[C@@H]([N@@H+](C(C)C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168004712 1100073627 /nfs/dbraw/zinc/07/36/27/1100073627.db2.gz XZINPDRDFXOFQF-BMHONFFRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@@H]([N@H+](C(C)C)C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001168004712 1100073636 /nfs/dbraw/zinc/07/36/36/1100073636.db2.gz XZINPDRDFXOFQF-BMHONFFRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@@H](N(C(C)C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168004712 1100073643 /nfs/dbraw/zinc/07/36/43/1100073643.db2.gz XZINPDRDFXOFQF-BMHONFFRSA-N 1 3 333.520 2.723 20 0 EFADHO CC(=O)N1CC[C@@H](N(C(C)C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168004712 1100073650 /nfs/dbraw/zinc/07/36/50/1100073650.db2.gz XZINPDRDFXOFQF-BMHONFFRSA-N 1 3 333.520 2.723 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523318 1100163578 /nfs/dbraw/zinc/16/35/78/1100163578.db2.gz RHIWDBPMIAXURN-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523318 1100163582 /nfs/dbraw/zinc/16/35/82/1100163582.db2.gz RHIWDBPMIAXURN-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523318 1100163586 /nfs/dbraw/zinc/16/35/86/1100163586.db2.gz RHIWDBPMIAXURN-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001087523318 1100163589 /nfs/dbraw/zinc/16/35/89/1100163589.db2.gz RHIWDBPMIAXURN-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001087523318 1100163593 /nfs/dbraw/zinc/16/35/93/1100163593.db2.gz RHIWDBPMIAXURN-RCCFBDPRSA-N 1 3 349.906 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001482433381 1100193266 /nfs/dbraw/zinc/19/32/66/1100193266.db2.gz KNKBPWIXAFCLIT-ICSRJNTNSA-N 1 3 345.531 2.706 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168011830 1100316545 /nfs/dbraw/zinc/31/65/45/1100316545.db2.gz SVZXEMQKSIZHAV-UGJIMAENSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168012098 1100354727 /nfs/dbraw/zinc/35/47/27/1100354727.db2.gz VZQODVNETRBKDP-IZZQQSIFSA-N 1 3 329.488 2.640 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@@H+]1CCC1CC1 ZINC001087636248 1100617567 /nfs/dbraw/zinc/61/75/67/1100617567.db2.gz HRBNFVGQWHYORC-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2CC(C)C)CC[N@H+]1CCC1CC1 ZINC001087636248 1100617569 /nfs/dbraw/zinc/61/75/69/1100617569.db2.gz HRBNFVGQWHYORC-IPMKNSEASA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@@H+]1CC1CCC1 ZINC001087636246 1100618013 /nfs/dbraw/zinc/61/80/13/1100618013.db2.gz HOANPXSZALMMJN-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2CC(C)C)CC[N@H+]1CC1CCC1 ZINC001087636246 1100618019 /nfs/dbraw/zinc/61/80/19/1100618019.db2.gz HOANPXSZALMMJN-OTWHNJEPSA-N 1 3 335.536 2.876 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC(C)C ZINC001087724024 1100701719 /nfs/dbraw/zinc/70/17/19/1100701719.db2.gz RPLKJEBWVQQJRW-FCEWJHQRSA-N 1 3 341.515 2.824 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC(C)C ZINC001087724024 1100701720 /nfs/dbraw/zinc/70/17/20/1100701720.db2.gz RPLKJEBWVQQJRW-FCEWJHQRSA-N 1 3 341.515 2.824 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1csc(C)c1 ZINC001087797056 1100780898 /nfs/dbraw/zinc/78/08/98/1100780898.db2.gz WCTBKAUSGDTSSQ-BPQIPLTHSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1csc(C)c1 ZINC001087797056 1100780902 /nfs/dbraw/zinc/78/09/02/1100780902.db2.gz WCTBKAUSGDTSSQ-BPQIPLTHSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@@H](N[C@@H]2CNC(=O)C2(C)C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168032156 1100943683 /nfs/dbraw/zinc/94/36/83/1100943683.db2.gz FUCDDWBAQYFGPS-CYGHRXIMSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H]1C[C@@H](N[C@@H]2CNC(=O)C2(C)C)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168032156 1100943685 /nfs/dbraw/zinc/94/36/85/1100943685.db2.gz FUCDDWBAQYFGPS-CYGHRXIMSA-N 1 3 329.488 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001203443258 1100954166 /nfs/dbraw/zinc/95/41/66/1100954166.db2.gz RFIXSZIMXFEJHS-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001203443626 1101032097 /nfs/dbraw/zinc/03/20/97/1101032097.db2.gz XSNRNPMLHDSXCT-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1CC(N2CCOC[C@@](C)(O)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039399 1101086189 /nfs/dbraw/zinc/08/61/89/1101086189.db2.gz DVIPSMGVGMKIOE-HLIPFELVSA-N 1 3 332.488 2.511 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966443 1101095130 /nfs/dbraw/zinc/09/51/30/1101095130.db2.gz CTUNKZBXZNAZML-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]2C1 ZINC001087966443 1101095134 /nfs/dbraw/zinc/09/51/34/1101095134.db2.gz CTUNKZBXZNAZML-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992883 1101167392 /nfs/dbraw/zinc/16/73/92/1101167392.db2.gz QMBDIRHUMWYWME-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001087992883 1101167393 /nfs/dbraw/zinc/16/73/93/1101167393.db2.gz QMBDIRHUMWYWME-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088002902 1101179198 /nfs/dbraw/zinc/17/91/98/1101179198.db2.gz XXICSHMBUUNWGD-QYZOEREBSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088002902 1101179200 /nfs/dbraw/zinc/17/92/00/1101179200.db2.gz XXICSHMBUUNWGD-QYZOEREBSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088011088 1101189159 /nfs/dbraw/zinc/18/91/59/1101189159.db2.gz YCFIYYJJYKZCIF-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C)c3)CC[C@@H]2C1)N(C)C ZINC001088011088 1101189165 /nfs/dbraw/zinc/18/91/65/1101189165.db2.gz YCFIYYJJYKZCIF-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001167385751 1101391646 /nfs/dbraw/zinc/39/16/46/1101391646.db2.gz RJYWNGKTSBIPIC-MGDKSHQASA-N 1 3 341.927 2.878 20 0 EFADHO CCc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)s1 ZINC000066593705 1101433570 /nfs/dbraw/zinc/43/35/70/1101433570.db2.gz QYJKBGZLZAPTMU-UHFFFAOYSA-N 1 3 345.512 2.892 20 0 EFADHO Cc1cccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000066994796 1101478870 /nfs/dbraw/zinc/47/88/70/1101478870.db2.gz JMAVJKHMTUTFLE-UHFFFAOYSA-N 1 3 325.456 2.576 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000067671770 1101552631 /nfs/dbraw/zinc/55/26/31/1101552631.db2.gz JREXQLWQWMFKTJ-AWEZNQCLSA-N 1 3 345.409 2.701 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1 ZINC001088106409 1101554403 /nfs/dbraw/zinc/55/44/03/1101554403.db2.gz YWMXROKMPYXNMT-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1 ZINC001088106409 1101554410 /nfs/dbraw/zinc/55/44/10/1101554410.db2.gz YWMXROKMPYXNMT-SXLOBPIMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1 ZINC001088106408 1101554457 /nfs/dbraw/zinc/55/44/57/1101554457.db2.gz YWMXROKMPYXNMT-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]2C1 ZINC001088106408 1101554462 /nfs/dbraw/zinc/55/44/62/1101554462.db2.gz YWMXROKMPYXNMT-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088106351 1101555349 /nfs/dbraw/zinc/55/53/49/1101555349.db2.gz WRGDNXCPQFWHBN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088106351 1101555358 /nfs/dbraw/zinc/55/53/58/1101555358.db2.gz WRGDNXCPQFWHBN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088105968 1101558980 /nfs/dbraw/zinc/55/89/80/1101558980.db2.gz JQTFYJOLMCTTLY-JQHSSLGASA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC001088105968 1101558991 /nfs/dbraw/zinc/55/89/91/1101558991.db2.gz JQTFYJOLMCTTLY-JQHSSLGASA-N 1 3 347.528 2.513 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107135 1101560246 /nfs/dbraw/zinc/56/02/46/1101560246.db2.gz ITNJEXMQSZBYPE-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107135 1101560260 /nfs/dbraw/zinc/56/02/60/1101560260.db2.gz ITNJEXMQSZBYPE-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCC4)CC[C@@H]3C2)C1 ZINC001088106855 1101560682 /nfs/dbraw/zinc/56/06/82/1101560682.db2.gz URZNWSRCMPEWCL-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)CC[C@@H]3C2)C1 ZINC001088106855 1101560696 /nfs/dbraw/zinc/56/06/96/1101560696.db2.gz URZNWSRCMPEWCL-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107094 1101560812 /nfs/dbraw/zinc/56/08/12/1101560812.db2.gz GTKZAPWDUGKKAO-MSOLQXFVSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107094 1101560824 /nfs/dbraw/zinc/56/08/24/1101560824.db2.gz GTKZAPWDUGKKAO-MSOLQXFVSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109520 1101565176 /nfs/dbraw/zinc/56/51/76/1101565176.db2.gz JWVSZOLOWJTYEW-QYZOEREBSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109520 1101565179 /nfs/dbraw/zinc/56/51/79/1101565179.db2.gz JWVSZOLOWJTYEW-QYZOEREBSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C)CC[C@@H]2C1)N(C)C ZINC001088109783 1101567933 /nfs/dbraw/zinc/56/79/33/1101567933.db2.gz YPHMCOGYZXIVLL-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C)CC[C@@H]2C1)N(C)C ZINC001088109783 1101567940 /nfs/dbraw/zinc/56/79/40/1101567940.db2.gz YPHMCOGYZXIVLL-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CCOC(=O)CCN1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209036825 1101606946 /nfs/dbraw/zinc/60/69/46/1101606946.db2.gz QQXSMMDOMIKDRB-JRBPQWBISA-N 1 3 332.488 2.835 20 0 EFADHO CCOC(=O)CCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209036825 1101606949 /nfs/dbraw/zinc/60/69/49/1101606949.db2.gz QQXSMMDOMIKDRB-JRBPQWBISA-N 1 3 332.488 2.835 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001087134684 1101609583 /nfs/dbraw/zinc/60/95/83/1101609583.db2.gz BHJSZTLJYUEZKY-HHXXYDBFSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CC([N@@H+]2CCC3(C2)OCCO3)C[C@H](C)N1Cc1ccccc1 ZINC001168053810 1101641821 /nfs/dbraw/zinc/64/18/21/1101641821.db2.gz PVLCJVKKZZCMEX-IRXDYDNUSA-N 1 3 330.472 2.877 20 0 EFADHO C[C@H]1CC([N@H+]2CCC3(C2)OCCO3)C[C@H](C)N1Cc1ccccc1 ZINC001168053810 1101641828 /nfs/dbraw/zinc/64/18/28/1101641828.db2.gz PVLCJVKKZZCMEX-IRXDYDNUSA-N 1 3 330.472 2.877 20 0 EFADHO CCOc1ccc(C[NH2+]C[C@@H](C)N2CCN(CC)CC2)cc1OCC ZINC000069059344 1101674068 /nfs/dbraw/zinc/67/40/68/1101674068.db2.gz LYVBRJPWCBOZFA-QGZVFWFLSA-N 1 3 349.519 2.600 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000069160374 1101683375 /nfs/dbraw/zinc/68/33/75/1101683375.db2.gz QJJFAUNOVDJNAQ-OAHLLOKOSA-N 1 3 328.460 2.907 20 0 EFADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319408 1101714613 /nfs/dbraw/zinc/71/46/13/1101714613.db2.gz RUMFLZXDAQZQLD-KURKYZTESA-N 1 3 325.541 2.693 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001480871068 1101758895 /nfs/dbraw/zinc/75/88/95/1101758895.db2.gz HUBDBJRNQFUMBH-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccccc1C1CC1 ZINC001480871068 1101758910 /nfs/dbraw/zinc/75/89/10/1101758910.db2.gz HUBDBJRNQFUMBH-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(-n2cccn2)cc1 ZINC001655633846 1101861283 /nfs/dbraw/zinc/86/12/83/1101861283.db2.gz ALZNJKZWRFGUAJ-QGZVFWFLSA-N 1 3 333.439 2.978 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211258 1101882412 /nfs/dbraw/zinc/88/24/12/1101882412.db2.gz ZEMOFUFSGBIQPG-MJGOQNOKSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211258 1101882417 /nfs/dbraw/zinc/88/24/17/1101882417.db2.gz ZEMOFUFSGBIQPG-MJGOQNOKSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210574 1101882620 /nfs/dbraw/zinc/88/26/20/1101882620.db2.gz QKDNBBQUYQIEOZ-MOPGFXCFSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210574 1101882642 /nfs/dbraw/zinc/88/26/42/1101882642.db2.gz QKDNBBQUYQIEOZ-MOPGFXCFSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211239 1101883468 /nfs/dbraw/zinc/88/34/68/1101883468.db2.gz YNHNQTKJJDDDLN-AEFFLSMTSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC001088211239 1101883475 /nfs/dbraw/zinc/88/34/75/1101883475.db2.gz YNHNQTKJJDDDLN-AEFFLSMTSA-N 1 3 329.488 2.551 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC(C)C)C1)N(C)C ZINC001104348499 1101995736 /nfs/dbraw/zinc/99/57/36/1101995736.db2.gz HUEIYYWVZVXVBA-KZNAEPCWSA-N 1 3 325.541 2.837 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001271521508 1102058997 /nfs/dbraw/zinc/05/89/97/1102058997.db2.gz WHHBOFXNXGKZGF-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001271521508 1102059012 /nfs/dbraw/zinc/05/90/12/1102059012.db2.gz WHHBOFXNXGKZGF-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001266741166 1102072976 /nfs/dbraw/zinc/07/29/76/1102072976.db2.gz LYJZYXXNULKKSB-OAHLLOKOSA-N 1 3 346.302 2.882 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1 ZINC001167224123 1102078399 /nfs/dbraw/zinc/07/83/99/1102078399.db2.gz DVPCUMKXFCPCJX-QGZVFWFLSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCc2ccccc2)CC1 ZINC001167224262 1102079871 /nfs/dbraw/zinc/07/98/71/1102079871.db2.gz INKCRVWFPBXZIH-GOSISDBHSA-N 1 3 343.515 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001167224443 1102080040 /nfs/dbraw/zinc/08/00/40/1102080040.db2.gz JZQFZONDVAENDI-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001167224501 1102080415 /nfs/dbraw/zinc/08/04/15/1102080415.db2.gz LFWZDQAKRKRIKT-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC001167232535 1102097614 /nfs/dbraw/zinc/09/76/14/1102097614.db2.gz GLRFNIMZAIKNSG-QGZVFWFLSA-N 1 3 333.520 2.705 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CC=C(Cl)Cl)CC2)C1 ZINC001167232368 1102097697 /nfs/dbraw/zinc/09/76/97/1102097697.db2.gz AGEBEKHAHSUHNE-ZDUSSCGKSA-N 1 3 348.318 2.523 20 0 EFADHO CCCC[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232525 1102099070 /nfs/dbraw/zinc/09/90/70/1102099070.db2.gz FXKXICLKNGAJDL-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)C1 ZINC001167232875 1102100088 /nfs/dbraw/zinc/10/00/88/1102100088.db2.gz SSGSDFBFSXMINR-KRWDZBQOSA-N 1 3 335.536 2.785 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001167261143 1102187413 /nfs/dbraw/zinc/18/74/13/1102187413.db2.gz XMZPJUHUGRFFAM-IRXDYDNUSA-N 1 3 325.541 2.885 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001104362759 1102211781 /nfs/dbraw/zinc/21/17/81/1102211781.db2.gz IIHYLNVZHSTECE-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC[C@@H](C)F)C1 ZINC001104362946 1102214867 /nfs/dbraw/zinc/21/48/67/1102214867.db2.gz RENHVUSYYYYCQP-BZUAXINKSA-N 1 3 329.504 2.539 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001167480642 1102298525 /nfs/dbraw/zinc/29/85/25/1102298525.db2.gz OMOGEQGHIPIQJG-UHFFFAOYSA-N 1 3 336.307 2.523 20 0 EFADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112506985 1102445524 /nfs/dbraw/zinc/44/55/24/1102445524.db2.gz QHSMPEBHLLPLPT-PXNSSMCTSA-N 1 3 335.536 2.735 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287336 1102581746 /nfs/dbraw/zinc/58/17/46/1102581746.db2.gz CUAQEOBDIBPOTE-IKSUFZCESA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001087181138 1102707551 /nfs/dbraw/zinc/70/75/51/1102707551.db2.gz BXLBVDJKWJGHMB-NZSAHSFTSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001087181541 1102708605 /nfs/dbraw/zinc/70/86/05/1102708605.db2.gz WZXOSGJLWSMBSP-VNQPRFMTSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001087181175 1102709183 /nfs/dbraw/zinc/70/91/83/1102709183.db2.gz DXWPREFEDUBYTO-AYOQOUSVSA-N 1 3 349.494 2.883 20 0 EFADHO COc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000076400234 1102731193 /nfs/dbraw/zinc/73/11/93/1102731193.db2.gz PCJSCYSNXDGUMO-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000970800732 1102784879 /nfs/dbraw/zinc/78/48/79/1102784879.db2.gz RPNVDXSZBQGVCT-MSOLQXFVSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104291952 1102859263 /nfs/dbraw/zinc/85/92/63/1102859263.db2.gz BCYFVEFRHOVQSE-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292140 1102862829 /nfs/dbraw/zinc/86/28/29/1102862829.db2.gz LNZXJHCVGQFQLO-LZQZEXGQSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CCCCC1 ZINC001104292313 1102863939 /nfs/dbraw/zinc/86/39/39/1102863939.db2.gz UVIRORZVIIHJJP-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294397 1102875244 /nfs/dbraw/zinc/87/52/44/1102875244.db2.gz NPTPNKSQVQMTRH-OSFIAYCASA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001104294375 1102875961 /nfs/dbraw/zinc/87/59/61/1102875961.db2.gz MJTIBGNTQNGEPY-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001088327300 1102932635 /nfs/dbraw/zinc/93/26/35/1102932635.db2.gz JXRHLPIAMZAJHH-QZTJIDSGSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)N(C)C ZINC001088334203 1102985573 /nfs/dbraw/zinc/98/55/73/1102985573.db2.gz CRIVJOPWFSGWIC-DLBZAZTESA-N 1 3 337.533 2.949 20 0 EFADHO C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC001271916964 1103064197 /nfs/dbraw/zinc/06/41/97/1103064197.db2.gz QHYGIKRIEDHFGP-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC001271916964 1103064219 /nfs/dbraw/zinc/06/42/19/1103064219.db2.gz QHYGIKRIEDHFGP-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271940535 1103128980 /nfs/dbraw/zinc/12/89/80/1103128980.db2.gz JWHTUNFHKJCUCJ-IJXRJRJASA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2)CCC1 ZINC001409460906 1103172398 /nfs/dbraw/zinc/17/23/98/1103172398.db2.gz YFHFMXCTLKMWLS-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000905440167 1103200363 /nfs/dbraw/zinc/20/03/63/1103200363.db2.gz URESEUFZSULTSP-HRCADAONSA-N 1 3 328.378 2.608 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2cccnc2C)CC1)N(C)C ZINC001409463821 1103217334 /nfs/dbraw/zinc/21/73/34/1103217334.db2.gz ZYGJYWWLQWWDDN-ACBHZAAOSA-N 1 3 346.519 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H](NCc2ccccn2)C1)[NH+](C)C ZINC001088375282 1103236959 /nfs/dbraw/zinc/23/69/59/1103236959.db2.gz CCSNCMPOCSQTQS-RTBURBONSA-N 1 3 346.519 2.529 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCCCC[C@H](NCCF)C2)cc1 ZINC001088381573 1103335114 /nfs/dbraw/zinc/33/51/14/1103335114.db2.gz HMKCRSQMQUTIBX-IBGZPJMESA-N 1 3 349.494 2.735 20 0 EFADHO CC[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381917 1103337891 /nfs/dbraw/zinc/33/78/91/1103337891.db2.gz PUJZDVFOUNCJND-QAPCUYQASA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cnccc2C)C1)N(C)C ZINC001088383427 1103349312 /nfs/dbraw/zinc/34/93/12/1103349312.db2.gz DNADAKABALQTLY-MOPGFXCFSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001088384002 1103353096 /nfs/dbraw/zinc/35/30/96/1103353096.db2.gz SIUPUXUKAXKGAY-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@]12CC[N@@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372868 1103376351 /nfs/dbraw/zinc/37/63/51/1103376351.db2.gz NBAJXMKLJSWNEA-FQEVSTJZSA-N 1 3 349.519 2.946 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@]12CC[N@H+](C1CCN(CC3CC3)CC1)C2 ZINC001168372868 1103376364 /nfs/dbraw/zinc/37/63/64/1103376364.db2.gz NBAJXMKLJSWNEA-FQEVSTJZSA-N 1 3 349.519 2.946 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001088390654 1103383106 /nfs/dbraw/zinc/38/31/06/1103383106.db2.gz RWALQQMHOMIOAD-SFHVURJKSA-N 1 3 340.471 2.822 20 0 EFADHO CC(C)(C)OC(=O)NCC12CC(C1)C[N@@H+]2C1CCN(CC2CC2)CC1 ZINC001168373414 1103401217 /nfs/dbraw/zinc/40/12/17/1103401217.db2.gz RHJXVTOVNRZDSZ-UHFFFAOYSA-N 1 3 349.519 2.850 20 0 EFADHO CC(C)(C)OC(=O)NCC12CC(C1)C[N@H+]2C1CCN(CC2CC2)CC1 ZINC001168373414 1103401221 /nfs/dbraw/zinc/40/12/21/1103401221.db2.gz RHJXVTOVNRZDSZ-UHFFFAOYSA-N 1 3 349.519 2.850 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443458 1103499311 /nfs/dbraw/zinc/49/93/11/1103499311.db2.gz GGSLKSQJUBCXHT-VUNJVDIESA-N 1 3 335.536 2.855 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN(C)CCC)C[C@]2(C)C1 ZINC001101443458 1103499317 /nfs/dbraw/zinc/49/93/17/1103499317.db2.gz GGSLKSQJUBCXHT-VUNJVDIESA-N 1 3 335.536 2.855 20 0 EFADHO CC1CCN(CCNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000729590974 1103508593 /nfs/dbraw/zinc/50/85/93/1103508593.db2.gz BZBXMSOCEMYKFA-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC001483393185 1103585533 /nfs/dbraw/zinc/58/55/33/1103585533.db2.gz NGNYMWCSELVOKN-INIZCTEOSA-N 1 3 349.494 2.803 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000906085213 1103886180 /nfs/dbraw/zinc/88/61/80/1103886180.db2.gz JCECDVXBMDIWEQ-MRXNPFEDSA-N 1 3 333.476 2.817 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(CN(C)C)ccc2OC)C1 ZINC000906085213 1103886195 /nfs/dbraw/zinc/88/61/95/1103886195.db2.gz JCECDVXBMDIWEQ-MRXNPFEDSA-N 1 3 333.476 2.817 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000906091873 1103893222 /nfs/dbraw/zinc/89/32/22/1103893222.db2.gz ZSRGZPDCRPORPL-NZSAHSFTSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000906091873 1103893234 /nfs/dbraw/zinc/89/32/34/1103893234.db2.gz ZSRGZPDCRPORPL-NZSAHSFTSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001483565574 1103961185 /nfs/dbraw/zinc/96/11/85/1103961185.db2.gz FXFIZODMVCIZQE-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001483583097 1104005998 /nfs/dbraw/zinc/00/59/98/1104005998.db2.gz IWEUGKSSWKFBRA-KDOFPFPSSA-N 1 3 347.478 2.713 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001105438503 1104098394 /nfs/dbraw/zinc/09/83/94/1104098394.db2.gz JPKGMUHMWPFXCF-RVWIWJKTSA-N 1 3 345.531 2.790 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC([NH2+]Cc2ccc(C)cc2C)C1 ZINC001100921179 1104192998 /nfs/dbraw/zinc/19/29/98/1104192998.db2.gz LTBDWMHUQYVYCP-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO CC(C)N1CCC2(CCN(C3CC[NH+](CC4CC4)CC3)CC2)C1=O ZINC001168395318 1104199570 /nfs/dbraw/zinc/19/95/70/1104199570.db2.gz VCAJQIQRTYGXTD-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447673 1104214039 /nfs/dbraw/zinc/21/40/39/1104214039.db2.gz LLXWWTVEPUYPFQ-TYKWCNGQSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001409561508 1104236344 /nfs/dbraw/zinc/23/63/44/1104236344.db2.gz HZESOKLHLWLNRQ-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001409561508 1104236349 /nfs/dbraw/zinc/23/63/49/1104236349.db2.gz HZESOKLHLWLNRQ-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO CC1(Nc2nc(N3CCOCC3)cc3ccccc32)CC[NH2+]CC1 ZINC001168186823 1104332977 /nfs/dbraw/zinc/33/29/77/1104332977.db2.gz IPSVUAHXXIWMDC-UHFFFAOYSA-N 1 3 326.444 2.625 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC001088563634 1104556156 /nfs/dbraw/zinc/55/61/56/1104556156.db2.gz XXAASHUXMIPFHU-NEWSRXKRSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001088563634 1104556163 /nfs/dbraw/zinc/55/61/63/1104556163.db2.gz XXAASHUXMIPFHU-NEWSRXKRSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)C/C=C/c1ccccc1 ZINC001409641945 1104586321 /nfs/dbraw/zinc/58/63/21/1104586321.db2.gz RWGVWXRDRISSSA-RUJXFNLJSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482628727 1104688415 /nfs/dbraw/zinc/68/84/15/1104688415.db2.gz WYHCLFQAUDLLCO-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482628727 1104688420 /nfs/dbraw/zinc/68/84/20/1104688420.db2.gz WYHCLFQAUDLLCO-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CCc1cccs1 ZINC001482652353 1104743974 /nfs/dbraw/zinc/74/39/74/1104743974.db2.gz UXEOJUUATPQGCC-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCc1cccs1 ZINC001482652353 1104743977 /nfs/dbraw/zinc/74/39/77/1104743977.db2.gz UXEOJUUATPQGCC-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)[C@@H]2C)CC[N@@H+]1C ZINC001088579053 1104777186 /nfs/dbraw/zinc/77/71/86/1104777186.db2.gz KVCBLRCFPXOERD-BTHPGYMESA-N 1 3 343.515 2.804 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)[C@@H]2C)CC[N@H+]1C ZINC001088579053 1104777193 /nfs/dbraw/zinc/77/71/93/1104777193.db2.gz KVCBLRCFPXOERD-BTHPGYMESA-N 1 3 343.515 2.804 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088605283 1104852758 /nfs/dbraw/zinc/85/27/58/1104852758.db2.gz NPLHCKXQXKNCPM-HOJAQTOUSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001088605283 1104852767 /nfs/dbraw/zinc/85/27/67/1104852767.db2.gz NPLHCKXQXKNCPM-HOJAQTOUSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C2(N(C)C)CCC2)cc1 ZINC001482677973 1104880897 /nfs/dbraw/zinc/88/08/97/1104880897.db2.gz JMCHKABFEHIPIM-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001482680060 1104890452 /nfs/dbraw/zinc/89/04/52/1104890452.db2.gz UTUMUORVUFHANP-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482697449 1104953967 /nfs/dbraw/zinc/95/39/67/1104953967.db2.gz ZOPNNOHRJHGHTL-AEFFLSMTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001482914905 1105177247 /nfs/dbraw/zinc/17/72/47/1105177247.db2.gz WSCAHYNZAWIZCP-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)C1(N(C)C)CCC1 ZINC001482932272 1105179086 /nfs/dbraw/zinc/17/90/86/1105179086.db2.gz WURABWWFNHLUKF-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001668873538 1105390334 /nfs/dbraw/zinc/39/03/34/1105390334.db2.gz UICLORPNFQUXHL-RTRPANQVSA-N 1 3 337.895 2.688 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988962992 1105398498 /nfs/dbraw/zinc/39/84/98/1105398498.db2.gz UGOOFSUHOPFDKV-SJLPKXTDSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988956011 1105399104 /nfs/dbraw/zinc/39/91/04/1105399104.db2.gz NOEWXTVKDZGOJP-IEBWSBKVSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988967819 1105411571 /nfs/dbraw/zinc/41/15/71/1105411571.db2.gz PUSSCKBUFVAYQO-RHSMWYFYSA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001030019524 1105569332 /nfs/dbraw/zinc/56/93/32/1105569332.db2.gz MTCLOHXRTTYQSS-QXAKKESOSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897555092 1105712131 /nfs/dbraw/zinc/71/21/31/1105712131.db2.gz MSQFWWPISZANCI-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000897555092 1105712135 /nfs/dbraw/zinc/71/21/35/1105712135.db2.gz MSQFWWPISZANCI-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CCCF)CCC1)N(C)C ZINC001105566419 1105955428 /nfs/dbraw/zinc/95/54/28/1105955428.db2.gz LHFHVFBMNLZFTB-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC001648993102 1105999960 /nfs/dbraw/zinc/99/99/60/1105999960.db2.gz ZFXZWHYPGHPEEV-CABCVRRESA-N 1 3 325.884 2.822 20 0 EFADHO CN(C)C[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccc(Cl)cc1 ZINC001648993105 1106000273 /nfs/dbraw/zinc/00/02/73/1106000273.db2.gz ZFXZWHYPGHPEEV-LSDHHAIUSA-N 1 3 325.884 2.822 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000897960886 1106168043 /nfs/dbraw/zinc/16/80/43/1106168043.db2.gz DXLKKNWRDIGHJI-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000897960886 1106168046 /nfs/dbraw/zinc/16/80/46/1106168046.db2.gz DXLKKNWRDIGHJI-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)(C)C2)C1 ZINC000989449084 1106181429 /nfs/dbraw/zinc/18/14/29/1106181429.db2.gz CTSOJPBEAFEHEV-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000989449304 1106183592 /nfs/dbraw/zinc/18/35/92/1106183592.db2.gz GLVGVKMXOZUEQA-WMLDXEAASA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000989449302 1106184002 /nfs/dbraw/zinc/18/40/02/1106184002.db2.gz GLVGVKMXOZUEQA-PBHICJAKSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452286 1106229262 /nfs/dbraw/zinc/22/92/62/1106229262.db2.gz XXPZRCWTLPZSQY-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452395 1106230324 /nfs/dbraw/zinc/23/03/24/1106230324.db2.gz YYRIQVZAMUBLPP-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000989457891 1106278990 /nfs/dbraw/zinc/27/89/90/1106278990.db2.gz XSUIGFDHVTVPFW-ZWKOTPCHSA-N 1 3 341.515 2.923 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000989457891 1106278994 /nfs/dbraw/zinc/27/89/94/1106278994.db2.gz XSUIGFDHVTVPFW-ZWKOTPCHSA-N 1 3 341.515 2.923 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000989457889 1106279261 /nfs/dbraw/zinc/27/92/61/1106279261.db2.gz XSUIGFDHVTVPFW-QZTJIDSGSA-N 1 3 341.515 2.923 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000989457889 1106279266 /nfs/dbraw/zinc/27/92/66/1106279266.db2.gz XSUIGFDHVTVPFW-QZTJIDSGSA-N 1 3 341.515 2.923 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989475081 1106344660 /nfs/dbraw/zinc/34/46/60/1106344660.db2.gz PQNAWZLWAKXDOZ-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989475081 1106344665 /nfs/dbraw/zinc/34/46/65/1106344665.db2.gz PQNAWZLWAKXDOZ-HXUWFJFHSA-N 1 3 343.515 2.625 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)c1c[nH]cn1 ZINC000989486954 1106355219 /nfs/dbraw/zinc/35/52/19/1106355219.db2.gz VWBGANRXGKMUJR-IXDOHACOSA-N 1 3 344.503 2.658 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)c1c[nH]cn1 ZINC000989486954 1106355223 /nfs/dbraw/zinc/35/52/23/1106355223.db2.gz VWBGANRXGKMUJR-IXDOHACOSA-N 1 3 344.503 2.658 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCN(CCCc3ccsc3)CC2)C1 ZINC000989480339 1106356437 /nfs/dbraw/zinc/35/64/37/1106356437.db2.gz FOFAWXZDHIGULZ-SFHVURJKSA-N 1 3 349.544 2.557 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCN(CCCc3ccsc3)CC2)C1 ZINC000989480339 1106356440 /nfs/dbraw/zinc/35/64/40/1106356440.db2.gz FOFAWXZDHIGULZ-SFHVURJKSA-N 1 3 349.544 2.557 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)CN1C(=O)Cc1c[nH]cn1 ZINC000989490978 1106364216 /nfs/dbraw/zinc/36/42/16/1106364216.db2.gz BVINFWKLXWPLOE-BEFAXECRSA-N 1 3 348.450 2.885 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492769 1106367822 /nfs/dbraw/zinc/36/78/22/1106367822.db2.gz OWLWISJKKDEWQZ-QAPCUYQASA-N 1 3 332.492 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2(C[NH2+]C/C=C/Cl)CC2)c1 ZINC001168302078 1106432003 /nfs/dbraw/zinc/43/20/03/1106432003.db2.gz JNNLVJUSUZEHKE-ONNFQVAWSA-N 1 3 349.906 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2(C[NH2+]C/C=C\Cl)CC2)c1 ZINC001168302079 1106432324 /nfs/dbraw/zinc/43/23/24/1106432324.db2.gz JNNLVJUSUZEHKE-WMZJFQQLSA-N 1 3 349.906 2.990 20 0 EFADHO C[NH+](C)C1CCC(NCN2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001168305145 1106470346 /nfs/dbraw/zinc/47/03/46/1106470346.db2.gz JALKTZDCXLZUJO-OFLPRAFFSA-N 1 3 339.524 2.603 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989604644 1106480919 /nfs/dbraw/zinc/48/09/19/1106480919.db2.gz DNQTUUCMKHMOKG-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC000989605054 1106481080 /nfs/dbraw/zinc/48/10/80/1106481080.db2.gz HURRGGLIZISYDX-CRAIPNDOSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000989607067 1106482963 /nfs/dbraw/zinc/48/29/63/1106482963.db2.gz ZHNQMWKHHLWDTH-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606886 1106483006 /nfs/dbraw/zinc/48/30/06/1106483006.db2.gz WLSGOWCXUZNGON-NVXWUHKLSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NCc3ccsc3)C[C@H]2C)CC1 ZINC000989634863 1106498403 /nfs/dbraw/zinc/49/84/03/1106498403.db2.gz JEOMIFVYJXVGHH-QAPCUYQASA-N 1 3 349.544 2.948 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730494 1106594348 /nfs/dbraw/zinc/59/43/48/1106594348.db2.gz ZUBXIHNFVCOWFK-QGZVFWFLSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730494 1106594351 /nfs/dbraw/zinc/59/43/51/1106594351.db2.gz ZUBXIHNFVCOWFK-QGZVFWFLSA-N 1 3 331.504 2.942 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCCN(CCc2ccccc2)CC1 ZINC000989735348 1106596794 /nfs/dbraw/zinc/59/67/94/1106596794.db2.gz YPDRANMZWDYCAU-UHFFFAOYSA-N 1 3 343.515 2.639 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCCN(Cc2ccccc2)CC1 ZINC000989734803 1106598956 /nfs/dbraw/zinc/59/89/56/1106598956.db2.gz DTZAAZVNCIKCMI-UHFFFAOYSA-N 1 3 329.488 2.597 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000989728911 1106602529 /nfs/dbraw/zinc/60/25/29/1106602529.db2.gz ZDQBOGWTUKEMRR-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000989728911 1106602530 /nfs/dbraw/zinc/60/25/30/1106602530.db2.gz ZDQBOGWTUKEMRR-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)CN1C(=O)CN1CCCC1 ZINC000989800997 1106657621 /nfs/dbraw/zinc/65/76/21/1106657621.db2.gz WZANBEGMFGQEKC-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000989796080 1106666329 /nfs/dbraw/zinc/66/63/29/1106666329.db2.gz HDEVHCMAEDTZIW-RDJZCZTQSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989798844 1106669920 /nfs/dbraw/zinc/66/99/20/1106669920.db2.gz GQUYQHZFNZJUPS-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CN1C(=O)CN1CCCC1 ZINC000989798715 1106670024 /nfs/dbraw/zinc/67/00/24/1106670024.db2.gz DQIPRELRTKRRHX-VQIMIIECSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000989798950 1106670126 /nfs/dbraw/zinc/67/01/26/1106670126.db2.gz HZFMSPPSANVFGK-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1C[C@H](NCc2ccsc2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829769 1106688270 /nfs/dbraw/zinc/68/82/70/1106688270.db2.gz WIKRNMKYWCVVTE-RDJZCZTQSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989825592 1106698621 /nfs/dbraw/zinc/69/86/21/1106698621.db2.gz HVKNNWAIRZRRPS-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001168320537 1106710897 /nfs/dbraw/zinc/71/08/97/1106710897.db2.gz AVIJARGMVTYAMD-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001168320751 1106715429 /nfs/dbraw/zinc/71/54/29/1106715429.db2.gz NPSAXBYDEMAKCD-UHFFFAOYSA-N 1 3 349.494 2.872 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CCC1CC1 ZINC001088860541 1106749790 /nfs/dbraw/zinc/74/97/90/1106749790.db2.gz PTCJXGZUMKBUDT-SIXWZSSISA-N 1 3 339.499 2.578 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CCC1CC1 ZINC001088860541 1106749802 /nfs/dbraw/zinc/74/98/02/1106749802.db2.gz PTCJXGZUMKBUDT-SIXWZSSISA-N 1 3 339.499 2.578 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922469 1107017244 /nfs/dbraw/zinc/01/72/44/1107017244.db2.gz MDWDXAMTPUSHHW-APWZRJJASA-N 1 3 329.488 2.907 20 0 EFADHO Fc1cccnc1C1(C[NH2+]C2CCN(CC3CC3)CC2)CCOCC1 ZINC001168368406 1107276851 /nfs/dbraw/zinc/27/68/51/1107276851.db2.gz JJRHANNLGGJCHK-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO Fc1cccnc1C1(CNC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001168368406 1107276862 /nfs/dbraw/zinc/27/68/62/1107276862.db2.gz JJRHANNLGGJCHK-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001089038646 1107334584 /nfs/dbraw/zinc/33/45/84/1107334584.db2.gz FTXSLLMENFOQJG-XPGWFJOJSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001089038646 1107334598 /nfs/dbraw/zinc/33/45/98/1107334598.db2.gz FTXSLLMENFOQJG-XPGWFJOJSA-N 1 3 341.499 2.595 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)[C@H]2C)C1 ZINC001089058905 1107373795 /nfs/dbraw/zinc/37/37/95/1107373795.db2.gz OTGRCXUJGZKFRT-IOWJLKDZSA-N 1 3 343.515 2.987 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)[C@H]2C)C1 ZINC001089058905 1107373807 /nfs/dbraw/zinc/37/38/07/1107373807.db2.gz OTGRCXUJGZKFRT-IOWJLKDZSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060954 1107382496 /nfs/dbraw/zinc/38/24/96/1107382496.db2.gz PJCLOEKYSOSUAT-DAYGRLMNSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060954 1107382510 /nfs/dbraw/zinc/38/25/10/1107382510.db2.gz PJCLOEKYSOSUAT-DAYGRLMNSA-N 1 3 335.467 2.689 20 0 EFADHO CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001099098965 1107417960 /nfs/dbraw/zinc/41/79/60/1107417960.db2.gz ZOQJSMQHJCKUIE-CVEARBPZSA-N 1 3 329.504 2.683 20 0 EFADHO CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001099098965 1107417966 /nfs/dbraw/zinc/41/79/66/1107417966.db2.gz ZOQJSMQHJCKUIE-CVEARBPZSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001088702923 1107423326 /nfs/dbraw/zinc/42/33/26/1107423326.db2.gz QXBJBQVTRDFPLY-MJGOQNOKSA-N 1 3 341.499 2.702 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000990245828 1107554390 /nfs/dbraw/zinc/55/43/90/1107554390.db2.gz YSFKJSRXXZYUCJ-HXUWFJFHSA-N 1 3 343.515 2.787 20 0 EFADHO CCCc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000990275889 1107588919 /nfs/dbraw/zinc/58/89/19/1107588919.db2.gz DCMCLPACTYNHOR-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000990277359 1107590015 /nfs/dbraw/zinc/59/00/15/1107590015.db2.gz NEEIEIYJQSUZOE-FQEVSTJZSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990278347 1107591571 /nfs/dbraw/zinc/59/15/71/1107591571.db2.gz QDIRYCZBGHLTEJ-APWZRJJASA-N 1 3 329.488 2.731 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000990279129 1107593140 /nfs/dbraw/zinc/59/31/40/1107593140.db2.gz VWMZBKTVFVSWBY-VQIMIIECSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001089135869 1107593577 /nfs/dbraw/zinc/59/35/77/1107593577.db2.gz BYXRDQZNKOHHLE-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001089135869 1107593584 /nfs/dbraw/zinc/59/35/84/1107593584.db2.gz BYXRDQZNKOHHLE-PMACEKPBSA-N 1 3 343.515 2.902 20 0 EFADHO COCCCN(CCc1ccc(OC)cc1)C[C@]1(C)CCC[NH2+]C1 ZINC000904322193 1107815634 /nfs/dbraw/zinc/81/56/34/1107815634.db2.gz RDMBJJNNLJCOCI-HXUWFJFHSA-N 1 3 334.504 2.966 20 0 EFADHO COCCC[N@H+](CCc1ccc(OC)cc1)C[C@]1(C)CCCNC1 ZINC000904322193 1107815645 /nfs/dbraw/zinc/81/56/45/1107815645.db2.gz RDMBJJNNLJCOCI-HXUWFJFHSA-N 1 3 334.504 2.966 20 0 EFADHO COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@]1(C)CCCNC1 ZINC000904322193 1107815660 /nfs/dbraw/zinc/81/56/60/1107815660.db2.gz RDMBJJNNLJCOCI-HXUWFJFHSA-N 1 3 334.504 2.966 20 0 EFADHO C[C@@H]1CCN(C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000904371527 1107867287 /nfs/dbraw/zinc/86/72/87/1107867287.db2.gz PNJCAXQSFRZCCL-GJYPPUQNSA-N 1 3 339.524 2.859 20 0 EFADHO COc1ccc([C@H](C)NC[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1C ZINC000904389758 1107877081 /nfs/dbraw/zinc/87/70/81/1107877081.db2.gz TWUMSNWNIXKLET-GOEBONIOSA-N 1 3 330.476 2.514 20 0 EFADHO CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cc4c(s3)CCNC4)C2)n1 ZINC000904427943 1107922641 /nfs/dbraw/zinc/92/26/41/1107922641.db2.gz BAGJLHUVXFXNQC-YPMHNXCESA-N 1 3 332.473 2.765 20 0 EFADHO CCc1noc([C@H]2CC[C@@H]([NH2+]Cc3cc4c(s3)CCNC4)C2)n1 ZINC000904427942 1107923329 /nfs/dbraw/zinc/92/33/29/1107923329.db2.gz BAGJLHUVXFXNQC-WCQYABFASA-N 1 3 332.473 2.765 20 0 EFADHO C[C@H](O)c1ncc(CN2CCC(C[NH3+])(c3ccccc3)CC2)s1 ZINC000904458954 1107953744 /nfs/dbraw/zinc/95/37/44/1107953744.db2.gz LFBSQUOZEKZBDE-AWEZNQCLSA-N 1 3 331.485 2.689 20 0 EFADHO O=C(CCCNC1CC[NH+](CC2CC2)CC1)OCc1ccccc1 ZINC001168356127 1107965783 /nfs/dbraw/zinc/96/57/83/1107965783.db2.gz LRQHYYHQWMGFAK-UHFFFAOYSA-N 1 3 330.472 2.974 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168357478 1108133406 /nfs/dbraw/zinc/13/34/06/1108133406.db2.gz BKGALGVAZIWQAQ-FQEVSTJZSA-N 1 3 341.499 2.755 20 0 EFADHO Brc1ccc(CCNC2CC[NH+](CC3CC3)CC2)nc1 ZINC001168357537 1108139148 /nfs/dbraw/zinc/13/91/48/1108139148.db2.gz GFJMSVUPWGZRQZ-UHFFFAOYSA-N 1 3 338.293 2.851 20 0 EFADHO CCC1([NH2+]C2CCN(CC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC001168357577 1108150263 /nfs/dbraw/zinc/15/02/63/1108150263.db2.gz HFMAVZWRBZFISE-UHFFFAOYSA-N 1 3 337.508 2.850 20 0 EFADHO CC[NH+](CC)CCC(=O)N1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001272401670 1108187440 /nfs/dbraw/zinc/18/74/40/1108187440.db2.gz QSEOJGSPUGKQQT-HXUWFJFHSA-N 1 3 346.519 2.561 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272412306 1108212390 /nfs/dbraw/zinc/21/23/90/1108212390.db2.gz AAZGTWVQYWJWSI-PZJWPPBQSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272412306 1108212400 /nfs/dbraw/zinc/21/24/00/1108212400.db2.gz AAZGTWVQYWJWSI-PZJWPPBQSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272412303 1108212909 /nfs/dbraw/zinc/21/29/09/1108212909.db2.gz AAZGTWVQYWJWSI-FPOVZHCZSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272412303 1108212918 /nfs/dbraw/zinc/21/29/18/1108212918.db2.gz AAZGTWVQYWJWSI-FPOVZHCZSA-N 1 3 343.515 2.522 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415483 1108229187 /nfs/dbraw/zinc/22/91/87/1108229187.db2.gz PJLHEFQGHTVMCV-AZUAARDMSA-N 1 3 335.536 2.855 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001272415483 1108229191 /nfs/dbraw/zinc/22/91/91/1108229191.db2.gz PJLHEFQGHTVMCV-AZUAARDMSA-N 1 3 335.536 2.855 20 0 EFADHO CCC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430990 1108283294 /nfs/dbraw/zinc/28/32/94/1108283294.db2.gz JCQSPASLVFXWGB-DYESRHJHSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[C@@H](C)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430990 1108283303 /nfs/dbraw/zinc/28/33/03/1108283303.db2.gz JCQSPASLVFXWGB-DYESRHJHSA-N 1 3 343.515 2.975 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC001040261017 1108330035 /nfs/dbraw/zinc/33/00/35/1108330035.db2.gz KIUKPIYGUTVWII-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001040261017 1108330049 /nfs/dbraw/zinc/33/00/49/1108330049.db2.gz KIUKPIYGUTVWII-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393412 1108342252 /nfs/dbraw/zinc/34/22/52/1108342252.db2.gz BNZGCBYZGWSQTD-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393412 1108342268 /nfs/dbraw/zinc/34/22/68/1108342268.db2.gz BNZGCBYZGWSQTD-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1)N(C)C ZINC001409437382 1108367362 /nfs/dbraw/zinc/36/73/62/1108367362.db2.gz CXMBIICJFACRRN-JCYILVPMSA-N 1 3 325.541 2.693 20 0 EFADHO C[C@@H](CCNC[C@@H](O)CC1(O)CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000905149239 1108461339 /nfs/dbraw/zinc/46/13/39/1108461339.db2.gz ZASHVYCIRYLRJG-ICSRJNTNSA-N 1 3 348.531 2.933 20 0 EFADHO C[C@@H](CCNC[C@@H](O)CC1(O)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000905149239 1108461341 /nfs/dbraw/zinc/46/13/41/1108461341.db2.gz ZASHVYCIRYLRJG-ICSRJNTNSA-N 1 3 348.531 2.933 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256139 1108467268 /nfs/dbraw/zinc/46/72/68/1108467268.db2.gz MLVIWBRZAZGALF-DLBZAZTESA-N 1 3 341.455 2.513 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256139 1108467275 /nfs/dbraw/zinc/46/72/75/1108467275.db2.gz MLVIWBRZAZGALF-DLBZAZTESA-N 1 3 341.455 2.513 20 0 EFADHO C[C@@](O)(C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(F)F ZINC000905262019 1108552124 /nfs/dbraw/zinc/55/21/24/1108552124.db2.gz FATXFNDMRFWNCD-SJLPKXTDSA-N 1 3 326.431 2.894 20 0 EFADHO C[C@](O)(C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)C(F)F ZINC000905262017 1108552330 /nfs/dbraw/zinc/55/23/30/1108552330.db2.gz FATXFNDMRFWNCD-AEFFLSMTSA-N 1 3 326.431 2.894 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)N(C)C ZINC000697835453 1108560799 /nfs/dbraw/zinc/56/07/99/1108560799.db2.gz DNYUQEXMNGYUDB-LTIDMASMSA-N 1 3 339.524 2.952 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001483234133 1108567657 /nfs/dbraw/zinc/56/76/57/1108567657.db2.gz KJODIEQYQOIFRJ-INIZCTEOSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001167045373 1108671223 /nfs/dbraw/zinc/67/12/23/1108671223.db2.gz UACSNHQLOIBAOX-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001167051532 1108739348 /nfs/dbraw/zinc/73/93/48/1108739348.db2.gz QITXSHCIVLGIDC-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC001167051414 1108739849 /nfs/dbraw/zinc/73/98/49/1108739849.db2.gz KRKZVIKRNZXNNV-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000924704959 1108755416 /nfs/dbraw/zinc/75/54/16/1108755416.db2.gz JEOKERSEOIWWRN-HNNXBMFYSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CCCC1 ZINC001075333952 1108770194 /nfs/dbraw/zinc/77/01/94/1108770194.db2.gz ZTHGDDMQMCQCJH-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cs1 ZINC001075334982 1108778698 /nfs/dbraw/zinc/77/86/98/1108778698.db2.gz HKMSTRUJHIQIQR-CJNGLKHVSA-N 1 3 346.500 2.597 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001030020885 1108840126 /nfs/dbraw/zinc/84/01/26/1108840126.db2.gz HKZANTRSLOZFNO-DFQSSKMNSA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000899134383 1109214326 /nfs/dbraw/zinc/21/43/26/1109214326.db2.gz KQSGZHUJBBJFJN-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000899134383 1109214327 /nfs/dbraw/zinc/21/43/27/1109214327.db2.gz KQSGZHUJBBJFJN-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001076083609 1109632128 /nfs/dbraw/zinc/63/21/28/1109632128.db2.gz JGKYKLLAUDTBGI-XUVXKRRUSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001076083609 1109632131 /nfs/dbraw/zinc/63/21/31/1109632131.db2.gz JGKYKLLAUDTBGI-XUVXKRRUSA-N 1 3 345.531 2.584 20 0 EFADHO O=C(c1cccc(F)c1)N1CC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168366514 1109719096 /nfs/dbraw/zinc/71/90/96/1109719096.db2.gz UZEHWTYVZHANRD-IBGZPJMESA-N 1 3 345.462 2.504 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604050 1109943726 /nfs/dbraw/zinc/94/37/26/1109943726.db2.gz JWBDKQXIZRSKPX-VQTJNVASSA-N 1 3 341.499 2.861 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604050 1109943729 /nfs/dbraw/zinc/94/37/29/1109943729.db2.gz JWBDKQXIZRSKPX-VQTJNVASSA-N 1 3 341.499 2.861 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001483185573 1109968394 /nfs/dbraw/zinc/96/83/94/1109968394.db2.gz QNIMDALHYFPRPF-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO CN1CCC[C@@H](C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000741250268 1111209972 /nfs/dbraw/zinc/20/99/72/1111209972.db2.gz IYGYBMKEBQRWAY-CZUORRHYSA-N 1 3 341.293 2.756 20 0 EFADHO CN1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)C1 ZINC000741250268 1111209976 /nfs/dbraw/zinc/20/99/76/1111209976.db2.gz IYGYBMKEBQRWAY-CZUORRHYSA-N 1 3 341.293 2.756 20 0 EFADHO CCc1ccccc1C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127317331 1111348747 /nfs/dbraw/zinc/34/87/47/1111348747.db2.gz OUABBXUQKOQNDM-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CCCc1ccccc1)N1CCCCC1 ZINC001127317568 1111351915 /nfs/dbraw/zinc/35/19/15/1111351915.db2.gz RBOILVAVLHUHKB-UHFFFAOYSA-N 1 3 331.504 2.590 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC2CCCC2)[C@H](C)C1)N(C)C ZINC001106312793 1111399448 /nfs/dbraw/zinc/39/94/48/1111399448.db2.gz PGKRLCFTRBIJMU-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c(C)c1 ZINC001127322509 1111416086 /nfs/dbraw/zinc/41/60/86/1111416086.db2.gz RKIDRCMQXLJIQB-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001106339351 1111432330 /nfs/dbraw/zinc/43/23/30/1111432330.db2.gz HSGJHEXQMVUHPN-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225220 1111516463 /nfs/dbraw/zinc/51/64/63/1111516463.db2.gz PBRFSWHLBJDRRN-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225220 1111516467 /nfs/dbraw/zinc/51/64/67/1111516467.db2.gz PBRFSWHLBJDRRN-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001106633164 1111683792 /nfs/dbraw/zinc/68/37/92/1111683792.db2.gz BGIQGOMWLILNRD-KZNAEPCWSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1)N(C)C ZINC001106633359 1111683808 /nfs/dbraw/zinc/68/38/08/1111683808.db2.gz GYUJBUMGNVTMTC-BHIYHBOVSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C[NH2+]CCCC2CCC2)[C@H](C)C1 ZINC001106665491 1111708008 /nfs/dbraw/zinc/70/80/08/1111708008.db2.gz YWRNPMNPLBJVSD-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106665146 1111708517 /nfs/dbraw/zinc/70/85/17/1111708517.db2.gz JLBLTQJNPRLLPL-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001106672581 1111713409 /nfs/dbraw/zinc/71/34/09/1111713409.db2.gz FKRHFCQLGVIZPG-IEBWSBKVSA-N 1 3 345.531 2.849 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CCCCCF ZINC001106673438 1111713494 /nfs/dbraw/zinc/71/34/94/1111713494.db2.gz YXLMKAOEDVWRDY-IAGOWNOFSA-N 1 3 343.531 2.788 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001272613300 1111736970 /nfs/dbraw/zinc/73/69/70/1111736970.db2.gz HBQPLTDFVIZQST-FQBWVUSXSA-N 1 3 335.536 2.828 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001106783575 1111829103 /nfs/dbraw/zinc/82/91/03/1111829103.db2.gz UDYUXSLCSYHOPX-KZNAEPCWSA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC[N@@H+]1C ZINC001089390688 1112056508 /nfs/dbraw/zinc/05/65/08/1112056508.db2.gz HYWJQZVZEACXBH-OQURXAPNSA-N 1 3 341.927 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC[N@H+]1C ZINC001089390688 1112056511 /nfs/dbraw/zinc/05/65/11/1112056511.db2.gz HYWJQZVZEACXBH-OQURXAPNSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491027 1112225335 /nfs/dbraw/zinc/22/53/35/1112225335.db2.gz IODYJXNPQNUAPO-ROUUACIJSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491027 1112225338 /nfs/dbraw/zinc/22/53/38/1112225338.db2.gz IODYJXNPQNUAPO-ROUUACIJSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491026 1112225425 /nfs/dbraw/zinc/22/54/25/1112225425.db2.gz IODYJXNPQNUAPO-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491026 1112225427 /nfs/dbraw/zinc/22/54/27/1112225427.db2.gz IODYJXNPQNUAPO-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547281 1112291372 /nfs/dbraw/zinc/29/13/72/1112291372.db2.gz AXCBHLCWFBJOGG-ZBFHGGJFSA-N 1 3 334.508 2.914 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089547281 1112291378 /nfs/dbraw/zinc/29/13/78/1112291378.db2.gz AXCBHLCWFBJOGG-ZBFHGGJFSA-N 1 3 334.508 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001089547922 1112292232 /nfs/dbraw/zinc/29/22/32/1112292232.db2.gz FLNMPTMGRKRONM-DZGCQCFKSA-N 1 3 338.471 2.616 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001089547922 1112292235 /nfs/dbraw/zinc/29/22/35/1112292235.db2.gz FLNMPTMGRKRONM-DZGCQCFKSA-N 1 3 338.471 2.616 20 0 EFADHO CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560319 1112309105 /nfs/dbraw/zinc/30/91/05/1112309105.db2.gz AXJYKSDZNISRJF-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC(C)(C)C1 ZINC001089560319 1112309108 /nfs/dbraw/zinc/30/91/08/1112309108.db2.gz AXJYKSDZNISRJF-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC001203454912 1112365880 /nfs/dbraw/zinc/36/58/80/1112365880.db2.gz AJVGHWDWRLMDLI-UHFFFAOYSA-N 1 3 343.924 2.824 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001483813577 1112482039 /nfs/dbraw/zinc/48/20/39/1112482039.db2.gz BIGBVULKXDFKQF-GOSISDBHSA-N 1 3 341.515 2.971 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001483813577 1112482041 /nfs/dbraw/zinc/48/20/41/1112482041.db2.gz BIGBVULKXDFKQF-GOSISDBHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001106905708 1112616110 /nfs/dbraw/zinc/61/61/10/1112616110.db2.gz DTCJNXGRBBWJRB-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001106905934 1112631372 /nfs/dbraw/zinc/63/13/72/1112631372.db2.gz NXYBGARRWFYPDT-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@H](C)C1 ZINC001106906022 1112640750 /nfs/dbraw/zinc/64/07/50/1112640750.db2.gz SDPNLAWHOUAEDM-NCJCTJFTSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1)N(C)C ZINC001484009207 1112658461 /nfs/dbraw/zinc/65/84/61/1112658461.db2.gz LBCMGRFNHFSSLC-KGLIPLIRSA-N 1 3 337.430 2.544 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CCc2ccccc2)C1 ZINC001484174178 1112888005 /nfs/dbraw/zinc/88/80/05/1112888005.db2.gz OSGFWPZRWSHIDX-NRFANRHFSA-N 1 3 345.531 2.789 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CCc2ccccc2)C1 ZINC001484174178 1112888008 /nfs/dbraw/zinc/88/80/08/1112888008.db2.gz OSGFWPZRWSHIDX-NRFANRHFSA-N 1 3 345.531 2.789 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723540 1112953611 /nfs/dbraw/zinc/95/36/11/1112953611.db2.gz LQZTWVGDQLKTCT-QGZVFWFLSA-N 1 3 333.520 2.655 20 0 EFADHO C[NH+](C)CCCC(=O)NCc1ccc2c(c1)CN(CC1CCC1)C2 ZINC001484874013 1117788586 /nfs/dbraw/zinc/78/85/86/1117788586.db2.gz MUAKOAORXLPCJE-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001484905026 1117819330 /nfs/dbraw/zinc/81/93/30/1117819330.db2.gz MNVFHRDNJKNWNQ-APWZRJJASA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001484905028 1117819906 /nfs/dbraw/zinc/81/99/06/1117819906.db2.gz MNVFHRDNJKNWNQ-QFBILLFUSA-N 1 3 331.504 2.527 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484986165 1117911449 /nfs/dbraw/zinc/91/14/49/1117911449.db2.gz PYNAKBYENABFII-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@H](C)C1 ZINC001484986165 1117911451 /nfs/dbraw/zinc/91/14/51/1117911451.db2.gz PYNAKBYENABFII-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821149 1117920239 /nfs/dbraw/zinc/92/02/39/1117920239.db2.gz QZUFWKZQQMFANY-LEAZDLGRSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089821149 1117920242 /nfs/dbraw/zinc/92/02/42/1117920242.db2.gz QZUFWKZQQMFANY-LEAZDLGRSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821150 1117920281 /nfs/dbraw/zinc/92/02/81/1117920281.db2.gz QZUFWKZQQMFANY-NBYUQASBSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821150 1117920284 /nfs/dbraw/zinc/92/02/84/1117920284.db2.gz QZUFWKZQQMFANY-NBYUQASBSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC001484994414 1117929291 /nfs/dbraw/zinc/92/92/91/1117929291.db2.gz OQQWIVUIIJDIKK-DAYGRLMNSA-N 1 3 337.483 2.957 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCc2ccccc2)CCC1 ZINC001485059743 1117999170 /nfs/dbraw/zinc/99/91/70/1117999170.db2.gz LFABCIYHVMPRQT-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCc2ccccc2)CCC1 ZINC001485059743 1117999172 /nfs/dbraw/zinc/99/91/72/1117999172.db2.gz LFABCIYHVMPRQT-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC001485074716 1118014330 /nfs/dbraw/zinc/01/43/30/1118014330.db2.gz DYCOSWSMESVAHJ-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C ZINC001485074716 1118014334 /nfs/dbraw/zinc/01/43/34/1118014334.db2.gz DYCOSWSMESVAHJ-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CN(CC(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)C1CCC1 ZINC001485238673 1118170208 /nfs/dbraw/zinc/17/02/08/1118170208.db2.gz JRDUXEXHYQCBAC-NYYWCZLTSA-N 1 3 327.900 2.582 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cc1F ZINC001485260387 1118180038 /nfs/dbraw/zinc/18/00/38/1118180038.db2.gz OHFYFFYOOZHPHN-UHFFFAOYSA-N 1 3 346.450 2.674 20 0 EFADHO Cc1ccc(CN(C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1F ZINC001485324457 1118254895 /nfs/dbraw/zinc/25/48/95/1118254895.db2.gz GPRMUIYMBOUOAZ-INIZCTEOSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCc1ccccc1 ZINC001485350148 1118272834 /nfs/dbraw/zinc/27/28/34/1118272834.db2.gz LCNAGLYFDWPCNK-QGZVFWFLSA-N 1 3 333.520 2.644 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCc1ccccc1 ZINC001485350148 1118272838 /nfs/dbraw/zinc/27/28/38/1118272838.db2.gz LCNAGLYFDWPCNK-QGZVFWFLSA-N 1 3 333.520 2.644 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001485353289 1118275566 /nfs/dbraw/zinc/27/55/66/1118275566.db2.gz SIGSKTCTSOFEKW-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001485353289 1118275569 /nfs/dbraw/zinc/27/55/69/1118275569.db2.gz SIGSKTCTSOFEKW-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001485353290 1118275895 /nfs/dbraw/zinc/27/58/95/1118275895.db2.gz SIGSKTCTSOFEKW-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001485353290 1118275898 /nfs/dbraw/zinc/27/58/98/1118275898.db2.gz SIGSKTCTSOFEKW-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)CC1CC(C)C1 ZINC001485390965 1118316607 /nfs/dbraw/zinc/31/66/07/1118316607.db2.gz ZGXVDBVAEJCBAV-PQUAAJSLSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)CC1CC(C)C1 ZINC001485390965 1118316613 /nfs/dbraw/zinc/31/66/13/1118316613.db2.gz ZGXVDBVAEJCBAV-PQUAAJSLSA-N 1 3 331.504 2.844 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001485766205 1118578496 /nfs/dbraw/zinc/57/84/96/1118578496.db2.gz CCPPDFABJBDTCH-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001485766205 1118578499 /nfs/dbraw/zinc/57/84/99/1118578499.db2.gz CCPPDFABJBDTCH-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000995187867 1118756043 /nfs/dbraw/zinc/75/60/43/1118756043.db2.gz UMSUDMZJPGOBJP-QZTJIDSGSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(C)(C)C2)C1 ZINC001089863156 1118816886 /nfs/dbraw/zinc/81/68/86/1118816886.db2.gz VBWYAGMCIHUDLY-VJANTYMQSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN2CCC(C)(C)C2)C1 ZINC001089863156 1118816891 /nfs/dbraw/zinc/81/68/91/1118816891.db2.gz VBWYAGMCIHUDLY-VJANTYMQSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001032027127 1118949797 /nfs/dbraw/zinc/94/97/97/1118949797.db2.gz OMPAZKZEKRIMKH-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001032027127 1118949799 /nfs/dbraw/zinc/94/97/99/1118949799.db2.gz OMPAZKZEKRIMKH-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027398 1118950370 /nfs/dbraw/zinc/95/03/70/1118950370.db2.gz QOMMBFADWQREEU-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027398 1118950377 /nfs/dbraw/zinc/95/03/77/1118950377.db2.gz QOMMBFADWQREEU-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)c1 ZINC001032027644 1118951024 /nfs/dbraw/zinc/95/10/24/1118951024.db2.gz WBQMEBMXUKVNLD-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)c1 ZINC001032027644 1118951026 /nfs/dbraw/zinc/95/10/26/1118951026.db2.gz WBQMEBMXUKVNLD-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558589 1118961441 /nfs/dbraw/zinc/96/14/41/1118961441.db2.gz YTRXHVRXEVRNDO-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558589 1118961442 /nfs/dbraw/zinc/96/14/42/1118961442.db2.gz YTRXHVRXEVRNDO-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558589 1118961445 /nfs/dbraw/zinc/96/14/45/1118961445.db2.gz YTRXHVRXEVRNDO-RDJZCZTQSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[N@H+](CC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555570 1118965291 /nfs/dbraw/zinc/96/52/91/1118965291.db2.gz MATYEERAQYMFRW-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555570 1118965292 /nfs/dbraw/zinc/96/52/92/1118965292.db2.gz MATYEERAQYMFRW-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000942597593 1119002114 /nfs/dbraw/zinc/00/21/14/1119002114.db2.gz MIJRSWINYQQYHR-RDTXWAMCSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000942597590 1119002436 /nfs/dbraw/zinc/00/24/36/1119002436.db2.gz MIJRSWINYQQYHR-KBXCAEBGSA-N 1 3 349.544 2.725 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289741 1119401746 /nfs/dbraw/zinc/40/17/46/1119401746.db2.gz RQCJFJWAAZZFBO-QAPCUYQASA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC2CN([C@H](C)c3ccccc3)C2)CC1 ZINC001032094311 1119604624 /nfs/dbraw/zinc/60/46/24/1119604624.db2.gz GSQJUZJAKCZCDB-QGZVFWFLSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001032094845 1119609737 /nfs/dbraw/zinc/60/97/37/1119609737.db2.gz PSAPRTAXWMLADH-UHFFFAOYSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029425 1119818420 /nfs/dbraw/zinc/81/84/20/1119818420.db2.gz UNJNFYPWECKTHE-LZQZEXGQSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCC1CC1 ZINC001107029385 1119818751 /nfs/dbraw/zinc/81/87/51/1119818751.db2.gz RXLGVZJRLAHDMP-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CCC1CC1 ZINC001107034323 1119935669 /nfs/dbraw/zinc/93/56/69/1119935669.db2.gz VJTGXCUDSWYEEY-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001107036199 1120014517 /nfs/dbraw/zinc/01/45/17/1120014517.db2.gz IHBHBOYVOADWED-KZNAEPCWSA-N 1 3 341.515 2.685 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001107036198 1120014561 /nfs/dbraw/zinc/01/45/61/1120014561.db2.gz IHBHBOYVOADWED-KURKYZTESA-N 1 3 341.515 2.685 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038933 1120044280 /nfs/dbraw/zinc/04/42/80/1120044280.db2.gz HMENIAWGKYYPJN-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001107040634 1120055706 /nfs/dbraw/zinc/05/57/06/1120055706.db2.gz KKKQQARDUXQONT-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1C ZINC001107041023 1120058172 /nfs/dbraw/zinc/05/81/72/1120058172.db2.gz XQBIHBBVHGAISP-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001032204940 1120192929 /nfs/dbraw/zinc/19/29/29/1120192929.db2.gz JSGCXTJQKCHOSP-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CCc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001032206208 1120200640 /nfs/dbraw/zinc/20/06/40/1120200640.db2.gz UWHMWTUFYDRHKM-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088192 1120558282 /nfs/dbraw/zinc/55/82/82/1120558282.db2.gz BHYRHDAOWDSSKS-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945088192 1120558285 /nfs/dbraw/zinc/55/82/85/1120558285.db2.gz BHYRHDAOWDSSKS-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945093470 1120570356 /nfs/dbraw/zinc/57/03/56/1120570356.db2.gz SPEZVTZSVRDODC-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945093470 1120570358 /nfs/dbraw/zinc/57/03/58/1120570358.db2.gz SPEZVTZSVRDODC-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051239851 214085209 /nfs/dbraw/zinc/08/52/09/214085209.db2.gz VQPINIXJMFWZFS-INIZCTEOSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000121537371 282111626 /nfs/dbraw/zinc/11/16/26/282111626.db2.gz DSYDLLZMMUHXIO-QRQLOZEOSA-N 1 3 330.472 2.674 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416847295 282952178 /nfs/dbraw/zinc/95/21/78/282952178.db2.gz VGRSANLUJXAHCR-CABCVRRESA-N 1 3 338.521 2.702 20 0 EFADHO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522538 214378127 /nfs/dbraw/zinc/37/81/27/214378127.db2.gz NIVQEIJETKZZSP-INIZCTEOSA-N 1 3 349.494 2.537 20 0 EFADHO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522540 214378461 /nfs/dbraw/zinc/37/84/61/214378461.db2.gz NIVQEIJETKZZSP-MRXNPFEDSA-N 1 3 349.494 2.537 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174536108 231234122 /nfs/dbraw/zinc/23/41/22/231234122.db2.gz XRIBWSBILRTHJS-OTWHNJEPSA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000174553369 231240556 /nfs/dbraw/zinc/24/05/56/231240556.db2.gz ZHTNBBQJVDKAHU-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000264489491 282174379 /nfs/dbraw/zinc/17/43/79/282174379.db2.gz PIUJBKJFFNDLCU-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000264489500 282241201 /nfs/dbraw/zinc/24/12/01/282241201.db2.gz PIUJBKJFFNDLCU-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C)[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422968425 282248849 /nfs/dbraw/zinc/24/88/49/282248849.db2.gz WVXBOVXKJTYJSR-MBOZVWFJSA-N 1 3 341.455 2.728 20 0 EFADHO C[C@H](NCc1cccc(CO)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000177840425 232008970 /nfs/dbraw/zinc/00/89/70/232008970.db2.gz VTJQMUFRGJYANY-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CC(C)N(C)CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262675638 534994434 /nfs/dbraw/zinc/99/44/34/534994434.db2.gz AFTFVDRLPMNKCU-INIZCTEOSA-N 1 3 335.517 2.559 20 0 EFADHO NC(=O)c1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000045807021 213757467 /nfs/dbraw/zinc/75/74/67/213757467.db2.gz YMTLKRSUEUNCKI-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nc3ccccc3n2C)C[C@H](C)O1 ZINC000066990651 215100976 /nfs/dbraw/zinc/10/09/76/215100976.db2.gz NJSRNCHHJUNWOG-IYBDPMFKSA-N 1 3 330.476 2.552 20 0 EFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000103077352 219253837 /nfs/dbraw/zinc/25/38/37/219253837.db2.gz PHDFOEWYJDHIGE-UHFFFAOYSA-N 1 3 349.906 2.937 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000068132394 215281302 /nfs/dbraw/zinc/28/13/02/215281302.db2.gz UZXBHGFLNBMZFX-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CCC[NH+](C)C)CC1 ZINC000179702134 233340845 /nfs/dbraw/zinc/34/08/45/233340845.db2.gz SNFJDCXDMDGORO-LJQANCHMSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC000354233385 299166448 /nfs/dbraw/zinc/16/64/48/299166448.db2.gz HQEMOOOZVLMTNF-XYJFISCASA-N 1 3 348.535 2.953 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376669144 282700761 /nfs/dbraw/zinc/70/07/61/282700761.db2.gz BITGWNSTAOMDBE-UYAOXDASSA-N 1 3 328.504 2.681 20 0 EFADHO CCCN(C(=O)NC[C@H](N)c1ccc(C(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000418365432 283005408 /nfs/dbraw/zinc/00/54/08/283005408.db2.gz XMBMGEQLWSEGFP-MSOLQXFVSA-N 1 3 332.492 2.593 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000416780053 283005849 /nfs/dbraw/zinc/00/58/49/283005849.db2.gz CBMXGLGVXXJGBR-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156366334 295903328 /nfs/dbraw/zinc/90/33/28/295903328.db2.gz BWAUSFTYKQZSOV-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000458497166 291075020 /nfs/dbraw/zinc/07/50/20/291075020.db2.gz NRLDKHLGFYMOBU-WMZOPIPTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(C2CCN(C)CC2)CC1 ZINC000187904475 236335452 /nfs/dbraw/zinc/33/54/52/236335452.db2.gz ZNHHWSWKVMWEDC-MRXNPFEDSA-N 1 3 333.495 2.905 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263282 291156903 /nfs/dbraw/zinc/15/69/03/291156903.db2.gz OOSCGBIALXXTAH-PBWTXFEYSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263282 291156906 /nfs/dbraw/zinc/15/69/06/291156906.db2.gz OOSCGBIALXXTAH-PBWTXFEYSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCN1C(=O)c2ccccc2C1=O ZINC000423100081 296001821 /nfs/dbraw/zinc/00/18/21/296001821.db2.gz BJXJLMWVMZJWSN-JKSUJKDBSA-N 1 3 343.471 2.573 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3[nH]c2=O)C[C@H](C)O1 ZINC000072290847 216125319 /nfs/dbraw/zinc/12/53/19/216125319.db2.gz RBTBWRUMKVMFGH-IYBDPMFKSA-N 1 3 343.471 2.919 20 0 EFADHO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000130414555 223150491 /nfs/dbraw/zinc/15/04/91/223150491.db2.gz RLBXCCFEWLKJKT-XLIONFOSSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H](NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423023975 299319551 /nfs/dbraw/zinc/31/95/51/299319551.db2.gz KZRCDJXXKBJERR-XTQGRXLLSA-N 1 3 325.859 2.669 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000072959800 216332970 /nfs/dbraw/zinc/33/29/70/216332970.db2.gz NVCPUKMSVPUWAL-QGZVFWFLSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000072959800 216332972 /nfs/dbraw/zinc/33/29/72/216332972.db2.gz NVCPUKMSVPUWAL-QGZVFWFLSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000131982942 223289435 /nfs/dbraw/zinc/28/94/35/223289435.db2.gz BASNACYMHZCRKZ-FXAWDEMLSA-N 1 3 342.483 2.881 20 0 EFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000166177878 239121002 /nfs/dbraw/zinc/12/10/02/239121002.db2.gz QHCSKMOZQRKJJI-MSOLQXFVSA-N 1 3 347.503 2.541 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000073440802 216386453 /nfs/dbraw/zinc/38/64/53/216386453.db2.gz KVDIUAWAWTYZFK-MOPGFXCFSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000073440802 216386455 /nfs/dbraw/zinc/38/64/55/216386455.db2.gz KVDIUAWAWTYZFK-MOPGFXCFSA-N 1 3 346.519 2.805 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Br)nc1 ZINC000290594234 294130125 /nfs/dbraw/zinc/13/01/25/294130125.db2.gz GRTWPBKKMBXMDN-TZMCWYRMSA-N 1 3 344.297 2.852 20 0 EFADHO COC(=O)C1CCC([NH2+]CC2CCN(c3ccncc3)CC2)CC1 ZINC000192445091 240045947 /nfs/dbraw/zinc/04/59/47/240045947.db2.gz RIHLPQOMOUAWPW-UHFFFAOYSA-N 1 3 331.460 2.619 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000193136362 240085524 /nfs/dbraw/zinc/08/55/24/240085524.db2.gz KGQQJEYMKBTIPZ-QAPCUYQASA-N 1 3 331.504 2.892 20 0 EFADHO NC[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000193437699 240165252 /nfs/dbraw/zinc/16/52/52/240165252.db2.gz TUDXCEBKNNWUMH-IBGZPJMESA-N 1 3 325.456 2.736 20 0 EFADHO C[C@@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000236788041 242358101 /nfs/dbraw/zinc/35/81/01/242358101.db2.gz SQIAFMUZPMBCTH-YBXZHIRMSA-N 1 3 335.536 2.735 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236788552 242358248 /nfs/dbraw/zinc/35/82/48/242358248.db2.gz HBUUJDOCAJOSGU-MRXNPFEDSA-N 1 3 335.467 2.671 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000236656067 242308022 /nfs/dbraw/zinc/30/80/22/242308022.db2.gz IUQDTZLNOFHFFO-HXUWFJFHSA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](N)Cc1ccccc1 ZINC000236656067 242308023 /nfs/dbraw/zinc/30/80/23/242308023.db2.gz IUQDTZLNOFHFFO-HXUWFJFHSA-N 1 3 339.483 2.713 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccccc1)c1ccccc1 ZINC000236878896 242393446 /nfs/dbraw/zinc/39/34/46/242393446.db2.gz KNAXOFZXBKSKCU-VQTJNVASSA-N 1 3 339.483 2.928 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262729463 291407694 /nfs/dbraw/zinc/40/76/94/291407694.db2.gz BIEWMYUPHSMXIH-NSHGMRRFSA-N 1 3 329.488 2.847 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCCCN1 ZINC000166409712 284004961 /nfs/dbraw/zinc/00/49/61/284004961.db2.gz HKLXFYIKXQUTHJ-IBGZPJMESA-N 1 3 329.488 2.821 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000411992202 243062142 /nfs/dbraw/zinc/06/21/42/243062142.db2.gz ZVWSRHWWQAOIGC-MRXNPFEDSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[N@@H+](C)C1CC1 ZINC000411992202 243062149 /nfs/dbraw/zinc/06/21/49/243062149.db2.gz ZVWSRHWWQAOIGC-MRXNPFEDSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412027571 243078186 /nfs/dbraw/zinc/07/81/86/243078186.db2.gz VZADONPUGPACAN-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412027571 243078191 /nfs/dbraw/zinc/07/81/91/243078191.db2.gz VZADONPUGPACAN-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112113 243145031 /nfs/dbraw/zinc/14/50/31/243145031.db2.gz GJXULNGXMRRXNI-YLJYHZDGSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412112113 243145038 /nfs/dbraw/zinc/14/50/38/243145038.db2.gz GJXULNGXMRRXNI-YLJYHZDGSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000246194080 243207963 /nfs/dbraw/zinc/20/79/63/243207963.db2.gz DKVXCEHLQZLXAU-LMMKCTJWSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000246194080 243207970 /nfs/dbraw/zinc/20/79/70/243207970.db2.gz DKVXCEHLQZLXAU-LMMKCTJWSA-N 1 3 331.504 2.951 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000246877347 243328363 /nfs/dbraw/zinc/32/83/63/243328363.db2.gz DFTMVAGNNMFCGK-KCITZHQASA-N 1 3 332.488 2.981 20 0 EFADHO N[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247111329 243373380 /nfs/dbraw/zinc/37/33/80/243373380.db2.gz LOXWCAKSAFDSRH-WOJBJXKFSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247111329 243373385 /nfs/dbraw/zinc/37/33/85/243373385.db2.gz LOXWCAKSAFDSRH-WOJBJXKFSA-N 1 3 337.467 2.715 20 0 EFADHO C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000247237872 243397782 /nfs/dbraw/zinc/39/77/82/243397782.db2.gz MXYHJSPWYIPKDQ-MPGHIAIKSA-N 1 3 340.895 2.662 20 0 EFADHO C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000247237872 243397787 /nfs/dbraw/zinc/39/77/87/243397787.db2.gz MXYHJSPWYIPKDQ-MPGHIAIKSA-N 1 3 340.895 2.662 20 0 EFADHO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414328165 244089582 /nfs/dbraw/zinc/08/95/82/244089582.db2.gz PTWFSTAJZGTTEW-HOTGVXAUSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414332552 244094150 /nfs/dbraw/zinc/09/41/50/244094150.db2.gz DZMHXBWSQMLCSA-IEBWSBKVSA-N 1 3 329.488 2.662 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414690404 244294602 /nfs/dbraw/zinc/29/46/02/244294602.db2.gz HTXDSHNTTCSPQD-SJORKVTESA-N 1 3 330.476 2.533 20 0 EFADHO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414671135 244285970 /nfs/dbraw/zinc/28/59/70/244285970.db2.gz FKBXGSHOHCTFRP-INIZCTEOSA-N 1 3 337.895 2.748 20 0 EFADHO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414671135 244285973 /nfs/dbraw/zinc/28/59/73/244285973.db2.gz FKBXGSHOHCTFRP-INIZCTEOSA-N 1 3 337.895 2.748 20 0 EFADHO CCc1oc2ccccc2c1C[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681997 244290091 /nfs/dbraw/zinc/29/00/91/244290091.db2.gz QJHRNGDRYSJMTF-OAHLLOKOSA-N 1 3 343.471 2.624 20 0 EFADHO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414681997 244290095 /nfs/dbraw/zinc/29/00/95/244290095.db2.gz QJHRNGDRYSJMTF-OAHLLOKOSA-N 1 3 343.471 2.624 20 0 EFADHO C[C@H]1C[C@@H](CN2CCN(c3ccc(F)cc3Cl)CC2)CC[NH2+]1 ZINC000414715198 244304135 /nfs/dbraw/zinc/30/41/35/244304135.db2.gz YIODURUCNFRTOC-KBPBESRZSA-N 1 3 325.859 2.989 20 0 EFADHO CCCN(CC(=O)Nc1ccccc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735134 244317385 /nfs/dbraw/zinc/31/73/85/244317385.db2.gz LXMCRQWMUHTYCR-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000414763868 244334059 /nfs/dbraw/zinc/33/40/59/244334059.db2.gz YEHGSDPSLHJUKK-IRXDYDNUSA-N 1 3 347.478 2.593 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)C1 ZINC000414763868 244334067 /nfs/dbraw/zinc/33/40/67/244334067.db2.gz YEHGSDPSLHJUKK-IRXDYDNUSA-N 1 3 347.478 2.593 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000414764847 244334737 /nfs/dbraw/zinc/33/47/37/244334737.db2.gz BFRQOPXXJSQZLF-SJORKVTESA-N 1 3 344.484 2.533 20 0 EFADHO Oc1ccc(Br)c(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414765422 244334752 /nfs/dbraw/zinc/33/47/52/244334752.db2.gz FXFULVUSXMXWEF-TXEJJXNPSA-N 1 3 325.250 2.586 20 0 EFADHO C[N@H+](CCc1cccc2ccccc21)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703169 244299262 /nfs/dbraw/zinc/29/92/62/244299262.db2.gz XYARHGYCBXFQKN-KRWDZBQOSA-N 1 3 339.483 2.511 20 0 EFADHO C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414703169 244299266 /nfs/dbraw/zinc/29/92/66/244299266.db2.gz XYARHGYCBXFQKN-KRWDZBQOSA-N 1 3 339.483 2.511 20 0 EFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000414815658 244366592 /nfs/dbraw/zinc/36/65/92/244366592.db2.gz XZPXWQGUMZUVLC-ZDUSSCGKSA-N 1 3 337.464 2.528 20 0 EFADHO CCCC[C@@H](CN)[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000414816323 244366734 /nfs/dbraw/zinc/36/67/34/244366734.db2.gz PKMOLAICPJZFME-LBPRGKRZSA-N 1 3 325.254 2.704 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414847973 244368742 /nfs/dbraw/zinc/36/87/42/244368742.db2.gz WNGDGPKIQZARKS-VXGBXAGGSA-N 1 3 331.382 2.868 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000414847962 244370347 /nfs/dbraw/zinc/37/03/47/244370347.db2.gz WNGDGPKIQZARKS-NEPJUHHUSA-N 1 3 331.382 2.868 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414855101 244371576 /nfs/dbraw/zinc/37/15/76/244371576.db2.gz WDSNURPKQMESET-SMDDNHRTSA-N 1 3 329.286 2.531 20 0 EFADHO Fc1ccc(-n2nccc2CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414780684 244345949 /nfs/dbraw/zinc/34/59/49/244345949.db2.gz LUURZTBMASMMAW-JKSUJKDBSA-N 1 3 328.435 2.833 20 0 EFADHO COc1ccccc1-n1nccc1CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779486 244346248 /nfs/dbraw/zinc/34/62/48/244346248.db2.gz KDSWWUOTACLELL-IAGOWNOFSA-N 1 3 340.471 2.702 20 0 EFADHO COc1ccccc1-n1nccc1CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779488 244346394 /nfs/dbraw/zinc/34/63/94/244346394.db2.gz KDSWWUOTACLELL-IRXDYDNUSA-N 1 3 340.471 2.702 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH2+]CC1 ZINC000414782532 244348607 /nfs/dbraw/zinc/34/86/07/244348607.db2.gz PEGPNTCWICVJAO-LLVKDONJSA-N 1 3 345.365 2.644 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCNCC1 ZINC000414782532 244348615 /nfs/dbraw/zinc/34/86/15/244348615.db2.gz PEGPNTCWICVJAO-LLVKDONJSA-N 1 3 345.365 2.644 20 0 EFADHO Cc1nc2ccc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2s1 ZINC000414782257 244349143 /nfs/dbraw/zinc/34/91/43/244349143.db2.gz ODEVMFDFEHXVDL-HNNXBMFYSA-N 1 3 331.485 2.792 20 0 EFADHO COc1cc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1OC(C)C ZINC000414785847 244351058 /nfs/dbraw/zinc/35/10/58/244351058.db2.gz JUWYGPLZMRZACP-XLIONFOSSA-N 1 3 348.487 2.811 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cnc(-c3ccccn3)s2)CC1 ZINC000414789999 244352781 /nfs/dbraw/zinc/35/27/81/244352781.db2.gz PGDSOOYLTRDDKI-WBVHZDCISA-N 1 3 344.484 2.533 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414910431 244395068 /nfs/dbraw/zinc/39/50/68/244395068.db2.gz VLIYLQOAZOBLLL-RHSMWYFYSA-N 1 3 337.895 2.809 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165944498 284208363 /nfs/dbraw/zinc/20/83/63/284208363.db2.gz YEXAHUKUHRIFCU-QXAKKESOSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417104495 245023091 /nfs/dbraw/zinc/02/30/91/245023091.db2.gz FCGSGKKNAZLASY-QXAKKESOSA-N 1 3 344.503 2.562 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCCCC1 ZINC000417119112 245029538 /nfs/dbraw/zinc/02/95/38/245029538.db2.gz SLKNXFBDZKKYCF-SFHVURJKSA-N 1 3 344.503 2.612 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417224408 245053158 /nfs/dbraw/zinc/05/31/58/245053158.db2.gz UWDRQZOYLSDYOI-NUJGCVRESA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](N)Cc1ccccc1)c1ccccc1 ZINC000262637290 245085973 /nfs/dbraw/zinc/08/59/73/245085973.db2.gz IICQQJCCTSQNCZ-LPHOPBHVSA-N 1 3 339.483 2.802 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000418310197 245118554 /nfs/dbraw/zinc/11/85/54/245118554.db2.gz JIJSKNQGBFTSAY-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000262668727 245110644 /nfs/dbraw/zinc/11/06/44/245110644.db2.gz LUYVLTXLBJDTMW-YTQUADARSA-N 1 3 329.488 2.640 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418328497 245123019 /nfs/dbraw/zinc/12/30/19/245123019.db2.gz ASHUCQWLUGZOBC-QFBILLFUSA-N 1 3 346.519 2.668 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418353272 245132540 /nfs/dbraw/zinc/13/25/40/245132540.db2.gz NDLAXQYQLMUELD-MOPGFXCFSA-N 1 3 346.519 2.936 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418416596 245149398 /nfs/dbraw/zinc/14/93/98/245149398.db2.gz QYKGDXZXCOSKQW-PKOBYXMFSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@]1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC[NH2+]C1 ZINC000418496125 245174890 /nfs/dbraw/zinc/17/48/90/245174890.db2.gz CUAXDLGOINRUGU-QUCCMNQESA-N 1 3 340.471 2.529 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502422 245177602 /nfs/dbraw/zinc/17/76/02/245177602.db2.gz VMZWJCXZCMFOPK-BEFAXECRSA-N 1 3 340.471 2.575 20 0 EFADHO CCN(C(=O)[C@H](C[NH3+])C(C)C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000433116886 284236589 /nfs/dbraw/zinc/23/65/89/284236589.db2.gz MFHUZNJLRACGIS-BHIYHBOVSA-N 1 3 331.504 2.901 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418437232 245156322 /nfs/dbraw/zinc/15/63/22/245156322.db2.gz HQFMPXSXDNIMNE-PKOBYXMFSA-N 1 3 346.519 2.523 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418437231 245156797 /nfs/dbraw/zinc/15/67/97/245156797.db2.gz HQFMPXSXDNIMNE-MJGOQNOKSA-N 1 3 346.519 2.523 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N(CCN(C)C)Cc1cccc(C)c1 ZINC000418441571 245158201 /nfs/dbraw/zinc/15/82/01/245158201.db2.gz RXXLTZSSMWPBFZ-UHFFFAOYSA-N 1 3 334.508 2.586 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418446426 245161147 /nfs/dbraw/zinc/16/11/47/245161147.db2.gz POFWPZLCGWIUMR-SFHVURJKSA-N 1 3 334.508 2.653 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418570010 245198441 /nfs/dbraw/zinc/19/84/41/245198441.db2.gz CREFYDYHVSJEAZ-MSOLQXFVSA-N 1 3 332.492 2.550 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000418587607 245202986 /nfs/dbraw/zinc/20/29/86/245202986.db2.gz DAAGPRCZLXLYAF-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418593777 245205605 /nfs/dbraw/zinc/20/56/05/245205605.db2.gz VXHRVNYCENLLEV-QZTJIDSGSA-N 1 3 344.503 2.562 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000418597421 245207735 /nfs/dbraw/zinc/20/77/35/245207735.db2.gz PNWKYXNPQDWDBQ-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2CC)C1 ZINC000418654945 245230943 /nfs/dbraw/zinc/23/09/43/245230943.db2.gz QESIHSPJBRXJEG-LPHOPBHVSA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](N)c2ccccc2CC)C1 ZINC000418654945 245230948 /nfs/dbraw/zinc/23/09/48/245230948.db2.gz QESIHSPJBRXJEG-LPHOPBHVSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCN(C2CC2)C1 ZINC000418677537 245241535 /nfs/dbraw/zinc/24/15/35/245241535.db2.gz RXHZVINKOIAZRK-VQIMIIECSA-N 1 3 344.503 2.592 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000418661085 245234333 /nfs/dbraw/zinc/23/43/33/245234333.db2.gz ZVVCSXNMLUAGCC-LZQZEXGQSA-N 1 3 344.503 2.517 20 0 EFADHO CCN(C(=O)N[C@@H](C)CCCC[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418664876 245237190 /nfs/dbraw/zinc/23/71/90/245237190.db2.gz BGCSZCSGYYSCMJ-PKOBYXMFSA-N 1 3 346.519 2.810 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000418673138 245238956 /nfs/dbraw/zinc/23/89/56/245238956.db2.gz NFGVUVAAZKHCQQ-OALUTQOASA-N 1 3 344.503 2.736 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418721528 245260186 /nfs/dbraw/zinc/26/01/86/245260186.db2.gz MGCZHGMWPAUNCE-QZTJIDSGSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1[C@@H](C)[C@H](C)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000419368657 245391681 /nfs/dbraw/zinc/39/16/81/245391681.db2.gz GGSDJWXIISLHTA-FGTMMUONSA-N 1 3 343.515 2.875 20 0 EFADHO [NH3+]C[C@@H]1CN(CCOc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000420323586 245617496 /nfs/dbraw/zinc/61/74/96/245617496.db2.gz GEMGIFQJACRAEU-CYBMUJFWSA-N 1 3 342.842 2.545 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345801 245634117 /nfs/dbraw/zinc/63/41/17/245634117.db2.gz WRRJNHHMQAAHJH-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000111806721 220194307 /nfs/dbraw/zinc/19/43/07/220194307.db2.gz XBGLFDYYQWBPEX-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Cl)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000421824321 246130378 /nfs/dbraw/zinc/13/03/78/246130378.db2.gz IBONUIANXAYCGA-XJKSGUPXSA-N 1 3 328.859 2.847 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823059 246130725 /nfs/dbraw/zinc/13/07/25/246130725.db2.gz YPVQXUUJXJFRDE-QRWLVFNGSA-N 1 3 349.494 2.901 20 0 EFADHO COc1ccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000264212342 246191179 /nfs/dbraw/zinc/19/11/79/246191179.db2.gz MVGRPBIRKHHLAZ-UHFFFAOYSA-N 1 3 333.476 2.828 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422168439 246280668 /nfs/dbraw/zinc/28/06/68/246280668.db2.gz CPKMCGKRFQEBIE-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C[C@@H](C)N)CC1)c1ccccc1 ZINC000422844323 246485753 /nfs/dbraw/zinc/48/57/53/246485753.db2.gz LNBMBBQBAVXMOZ-MDZRGWNJSA-N 1 3 331.504 2.887 20 0 EFADHO COc1ccc(C2(C[NH2+][C@@H]3CCCC[C@H]3CN)CCOCC2)cc1 ZINC000422896878 246504079 /nfs/dbraw/zinc/50/40/79/246504079.db2.gz IWFDPXUIVJFPEW-QFBILLFUSA-N 1 3 332.488 2.851 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2nc(C(C)C)cs2)CC[NH2+]CC1 ZINC000422893411 246502650 /nfs/dbraw/zinc/50/26/50/246502650.db2.gz QLAQWEIXQBPPTR-CYBMUJFWSA-N 1 3 339.505 2.678 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000423099998 246573199 /nfs/dbraw/zinc/57/31/99/246573199.db2.gz GCPPWIVPGGHSKE-MISYRCLQSA-N 1 3 343.515 2.730 20 0 EFADHO Cc1c([C@@H](C)NCC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000423263148 246610726 /nfs/dbraw/zinc/61/07/26/246610726.db2.gz WXCCSGPWQWQSJJ-HIFRSBDPSA-N 1 3 331.439 2.755 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425324918 247043360 /nfs/dbraw/zinc/04/33/60/247043360.db2.gz NBPGIIYEQPXXDI-XUVXKRRUSA-N 1 3 343.515 2.886 20 0 EFADHO COC(=O)[C@@H](CCN1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000425405092 247073134 /nfs/dbraw/zinc/07/31/34/247073134.db2.gz KVNUQBQJIMTGSJ-IBGZPJMESA-N 1 3 332.488 2.997 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC[C@H](C(=O)OC)c2ccccc2)[C@@H](C)C1 ZINC000425414227 247076626 /nfs/dbraw/zinc/07/66/26/247076626.db2.gz ICWXYGXDGZWPCS-WDSOQIARSA-N 1 3 332.488 2.995 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC[C@H](C(=O)OC)c2ccccc2)[C@@H](C)C1 ZINC000425414227 247076630 /nfs/dbraw/zinc/07/66/30/247076630.db2.gz ICWXYGXDGZWPCS-WDSOQIARSA-N 1 3 332.488 2.995 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)[C@@H]2C1 ZINC000425765431 247183382 /nfs/dbraw/zinc/18/33/82/247183382.db2.gz IMMZXCCCXYFLEY-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)[C@@H]2C1 ZINC000425765431 247183385 /nfs/dbraw/zinc/18/33/85/247183385.db2.gz IMMZXCCCXYFLEY-QXAKKESOSA-N 1 3 348.535 2.519 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)[C@@H]2C1 ZINC000425684168 247166546 /nfs/dbraw/zinc/16/65/46/247166546.db2.gz VXSNBBMFFCARMI-ZYSHUDEJSA-N 1 3 342.487 2.793 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425952481 247216365 /nfs/dbraw/zinc/21/63/65/247216365.db2.gz PGCQZTWKXVVEOL-QWHCGFSZSA-N 1 3 341.883 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@H](C)C[NH+](C)C ZINC000425952481 247216368 /nfs/dbraw/zinc/21/63/68/247216368.db2.gz PGCQZTWKXVVEOL-QWHCGFSZSA-N 1 3 341.883 2.853 20 0 EFADHO COCC(C)(C)C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000426422181 247278884 /nfs/dbraw/zinc/27/88/84/247278884.db2.gz SXPHNRQWGXAAFM-IRXDYDNUSA-N 1 3 326.525 2.870 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427299825 247334836 /nfs/dbraw/zinc/33/48/36/247334836.db2.gz QSVADLLBRGDRSR-GGPKGHCWSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427299826 247335166 /nfs/dbraw/zinc/33/51/66/247335166.db2.gz QSVADLLBRGDRSR-HBFSDRIKSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427302277 247335301 /nfs/dbraw/zinc/33/53/01/247335301.db2.gz OUDNGXFJDNCTHP-ZIFCJYIRSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000427304716 247336510 /nfs/dbraw/zinc/33/65/10/247336510.db2.gz MTYZIBKUMKNIRP-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427333483 247339322 /nfs/dbraw/zinc/33/93/22/247339322.db2.gz ZTAXWDXEUBSQDZ-QWFCFKBJSA-N 1 3 343.515 2.793 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3cccc4cccnc43)CC2)CC1 ZINC000265402922 247472718 /nfs/dbraw/zinc/47/27/18/247472718.db2.gz AQZCWMYAQBXWAQ-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300341 248039875 /nfs/dbraw/zinc/03/98/75/248039875.db2.gz DOGXWRRLYZNIHL-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300341 248039878 /nfs/dbraw/zinc/03/98/78/248039878.db2.gz DOGXWRRLYZNIHL-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300344 248040187 /nfs/dbraw/zinc/04/01/87/248040187.db2.gz DOGXWRRLYZNIHL-ZACQAIPSSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1CN(C)C ZINC000433300342 248041067 /nfs/dbraw/zinc/04/10/67/248041067.db2.gz DOGXWRRLYZNIHL-BRWVUGGUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](N)[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433509999 248067346 /nfs/dbraw/zinc/06/73/46/248067346.db2.gz LSCDBHGBMRPJDJ-IPELMVKDSA-N 1 3 329.488 2.772 20 0 EFADHO C[C@H](N)[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000433509999 248067348 /nfs/dbraw/zinc/06/73/48/248067348.db2.gz LSCDBHGBMRPJDJ-IPELMVKDSA-N 1 3 329.488 2.772 20 0 EFADHO CN(C)[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000433365667 248052217 /nfs/dbraw/zinc/05/22/17/248052217.db2.gz XESSIZXQLJKYPB-RTBURBONSA-N 1 3 329.488 2.766 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000433952388 248106952 /nfs/dbraw/zinc/10/69/52/248106952.db2.gz FKXPRFRFTRVPBF-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CCCc1cccc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000435370967 248231494 /nfs/dbraw/zinc/23/14/94/248231494.db2.gz KPHJDNYCHVVRTQ-WOJBJXKFSA-N 1 3 343.515 2.719 20 0 EFADHO C[NH2+]CC1CCN(Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000435392840 248234824 /nfs/dbraw/zinc/23/48/24/248234824.db2.gz YERIKYGJWBBBRB-UHFFFAOYSA-N 1 3 346.427 2.659 20 0 EFADHO CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435389553 248236189 /nfs/dbraw/zinc/23/61/89/248236189.db2.gz LLZMHTQSPHKSLI-WBVHZDCISA-N 1 3 334.460 2.591 20 0 EFADHO Cc1ccc([C@H](O)C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000266516145 248340485 /nfs/dbraw/zinc/34/04/85/248340485.db2.gz GREGKTPRRGMWDH-BBTUJRGHSA-N 1 3 346.515 2.850 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC(CC[NH+](C)C)CC2)cc1 ZINC000092381330 218138545 /nfs/dbraw/zinc/13/85/45/218138545.db2.gz MLAZJYMXFLAITO-INIZCTEOSA-N 1 3 348.487 2.791 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C12CCCCC2 ZINC000442888596 250136238 /nfs/dbraw/zinc/13/62/38/250136238.db2.gz GSZFCYSQIWGFAM-ROUUACIJSA-N 1 3 337.552 2.730 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442893264 250138418 /nfs/dbraw/zinc/13/84/18/250138418.db2.gz XIYFLLGQAZHPHS-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO COc1ccc([C@@H](NC(=O)CN2CCC[C@H](CC[NH3+])C2)C(C)C)cc1 ZINC000443058445 250155019 /nfs/dbraw/zinc/15/50/19/250155019.db2.gz ADXNIUGMKRRFMU-UZLBHIALSA-N 1 3 347.503 2.569 20 0 EFADHO CC(C)C[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058547 250155995 /nfs/dbraw/zinc/15/59/95/250155995.db2.gz KQWPPCWKXAZPND-HKUYNNGSSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443068857 250156643 /nfs/dbraw/zinc/15/66/43/250156643.db2.gz ISPZVMWGQQWFEF-GJZGRUSLSA-N 1 3 326.444 2.623 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443065177 250157733 /nfs/dbraw/zinc/15/77/33/250157733.db2.gz ZMIOVOSUVQMWPH-GJZGRUSLSA-N 1 3 337.895 2.920 20 0 EFADHO C[C@@H](NC(=O)N1CCN(CCC(C)(C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443684824 250218719 /nfs/dbraw/zinc/21/87/19/250218719.db2.gz RSVFLPDDVCWQLW-MRXNPFEDSA-N 1 3 340.556 2.726 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000112740487 284767833 /nfs/dbraw/zinc/76/78/33/284767833.db2.gz ICGPIDHPIKSYAP-IBGZPJMESA-N 1 3 346.519 2.807 20 0 EFADHO CCC[NH+]1CCC(NCc2cccc(CN3CCO[C@H](C)C3)c2)CC1 ZINC000095420844 218361646 /nfs/dbraw/zinc/36/16/46/218361646.db2.gz IYDMQPMIYXIYKN-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN1CCC([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 ZINC000095420844 218361649 /nfs/dbraw/zinc/36/16/49/218361649.db2.gz IYDMQPMIYXIYKN-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C[C@@H](C)[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000261702000 284813878 /nfs/dbraw/zinc/81/38/78/284813878.db2.gz CTSDXNMPHGGMGW-IUODEOHRSA-N 1 3 345.409 2.942 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000341757495 296311005 /nfs/dbraw/zinc/31/10/05/296311005.db2.gz KNPTYGWPNOCJHN-IXDOHACOSA-N 1 3 330.538 2.586 20 0 EFADHO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449447956 251028500 /nfs/dbraw/zinc/02/85/00/251028500.db2.gz CSTAKYMNAQIIDV-INIZCTEOSA-N 1 3 333.520 2.856 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267406267 251029528 /nfs/dbraw/zinc/02/95/28/251029528.db2.gz ZLNXRLDNUHGFRS-ZHALLVOQSA-N 1 3 346.519 2.536 20 0 EFADHO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000449450325 251031137 /nfs/dbraw/zinc/03/11/37/251031137.db2.gz BDHGCNHOZHTJEP-FDKIHUSFSA-N 1 3 344.499 2.538 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615864 251083157 /nfs/dbraw/zinc/08/31/57/251083157.db2.gz ATPLIGFBFZLFLM-LJQANCHMSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615864 251083161 /nfs/dbraw/zinc/08/31/61/251083161.db2.gz ATPLIGFBFZLFLM-LJQANCHMSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615863 251083560 /nfs/dbraw/zinc/08/35/60/251083560.db2.gz ATPLIGFBFZLFLM-IBGZPJMESA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615863 251083568 /nfs/dbraw/zinc/08/35/68/251083568.db2.gz ATPLIGFBFZLFLM-IBGZPJMESA-N 1 3 345.531 2.811 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 ZINC000449657701 251099482 /nfs/dbraw/zinc/09/94/82/251099482.db2.gz QJNIZLXFVVACAU-FGTMMUONSA-N 1 3 334.508 2.844 20 0 EFADHO CCCc1ccc2[nH+]ccc(NC[C@H](C)N3CCN(C)CC3)c2c1 ZINC000450307459 251337667 /nfs/dbraw/zinc/33/76/67/251337667.db2.gz YHQBGXOMQMUGNU-INIZCTEOSA-N 1 3 326.488 2.657 20 0 EFADHO CC(C)Oc1ccc2[nH+]ccc(N3CCN(C[C@H](C)O)CC3)c2c1 ZINC000450452924 251392712 /nfs/dbraw/zinc/39/27/12/251392712.db2.gz NPNHLBVUSWCCOJ-HNNXBMFYSA-N 1 3 329.444 2.525 20 0 EFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1SC ZINC000268416023 251896041 /nfs/dbraw/zinc/89/60/41/251896041.db2.gz JTCUYLPHEZUMBF-UHFFFAOYSA-N 1 3 338.517 2.742 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268538522 252005855 /nfs/dbraw/zinc/00/58/55/252005855.db2.gz KFWTWRDUNULYOE-QGZVFWFLSA-N 1 3 345.487 2.712 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268538522 252005856 /nfs/dbraw/zinc/00/58/56/252005856.db2.gz KFWTWRDUNULYOE-QGZVFWFLSA-N 1 3 345.487 2.712 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000268582311 252042869 /nfs/dbraw/zinc/04/28/69/252042869.db2.gz TWXZYNVXZKPNIM-QGZVFWFLSA-N 1 3 335.517 2.817 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1)C(C)C ZINC000453026334 252020716 /nfs/dbraw/zinc/02/07/16/252020716.db2.gz FSOHQXFFOJGJGJ-RBUKOAKNSA-N 1 3 329.488 2.693 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1)C(C)C ZINC000453026334 252020720 /nfs/dbraw/zinc/02/07/20/252020720.db2.gz FSOHQXFFOJGJGJ-RBUKOAKNSA-N 1 3 329.488 2.693 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000454314755 252211408 /nfs/dbraw/zinc/21/14/08/252211408.db2.gz NLXCBMIATJJQRD-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N(C)C ZINC000454314755 252211411 /nfs/dbraw/zinc/21/14/11/252211411.db2.gz NLXCBMIATJJQRD-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000268800170 252254143 /nfs/dbraw/zinc/25/41/43/252254143.db2.gz HFHKHICKDYRDCK-UYAOXDASSA-N 1 3 333.520 2.597 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268799381 252251876 /nfs/dbraw/zinc/25/18/76/252251876.db2.gz APYXEYSQIQDXOX-ZFWWWQNUSA-N 1 3 346.393 2.735 20 0 EFADHO CC1(C)C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)C(C)(C)O1 ZINC000268818240 252268858 /nfs/dbraw/zinc/26/88/58/252268858.db2.gz OKALPHYTORLUHM-GOSISDBHSA-N 1 3 346.519 2.529 20 0 EFADHO COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268809321 252261696 /nfs/dbraw/zinc/26/16/96/252261696.db2.gz NHJHXQVWQXFNHT-WIYYLYMNSA-N 1 3 345.531 2.740 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000454479459 252277068 /nfs/dbraw/zinc/27/70/68/252277068.db2.gz KWHUIRNFKUFXHX-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)F)cc1 ZINC000268840407 252289215 /nfs/dbraw/zinc/28/92/15/252289215.db2.gz NKHOFKDBBMXQOS-GDBMZVCRSA-N 1 3 328.403 2.785 20 0 EFADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000454517555 252291428 /nfs/dbraw/zinc/29/14/28/252291428.db2.gz UXCAJPPNADETFI-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861437 252310488 /nfs/dbraw/zinc/31/04/88/252310488.db2.gz SGKXSBDNOPDSPK-TZIWHRDSSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861437 252310490 /nfs/dbraw/zinc/31/04/90/252310490.db2.gz SGKXSBDNOPDSPK-TZIWHRDSSA-N 1 3 347.547 2.845 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN(C)Cc2ccccc2)[C@H](C)C1 ZINC000268861437 252310491 /nfs/dbraw/zinc/31/04/91/252310491.db2.gz SGKXSBDNOPDSPK-TZIWHRDSSA-N 1 3 347.547 2.845 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000348370307 285204426 /nfs/dbraw/zinc/20/44/26/285204426.db2.gz FUPLYAZOIQVEKW-OALUTQOASA-N 1 3 346.519 2.771 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000348370307 285204427 /nfs/dbraw/zinc/20/44/27/285204427.db2.gz FUPLYAZOIQVEKW-OALUTQOASA-N 1 3 346.519 2.771 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Cl)s1 ZINC000349073162 285251015 /nfs/dbraw/zinc/25/10/15/285251015.db2.gz JLMZNHNUXJLJNX-CYBMUJFWSA-N 1 3 330.929 2.644 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000337460685 285248792 /nfs/dbraw/zinc/24/87/92/285248792.db2.gz LWIZYXFABQPLJB-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000337460685 285248794 /nfs/dbraw/zinc/24/87/94/285248794.db2.gz LWIZYXFABQPLJB-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000341042320 285257658 /nfs/dbraw/zinc/25/76/58/285257658.db2.gz BJZYYGJGARRXHE-YESZJQIVSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccs1 ZINC000337581019 285276440 /nfs/dbraw/zinc/27/64/40/285276440.db2.gz NTIJLCRRUIUSNL-INIZCTEOSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccs1 ZINC000337581019 285276442 /nfs/dbraw/zinc/27/64/42/285276442.db2.gz NTIJLCRRUIUSNL-INIZCTEOSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)Cc1ccccc1 ZINC000185830583 285277601 /nfs/dbraw/zinc/27/76/01/285277601.db2.gz HDSKHDDJAZMBNO-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)Cc1ccccc1 ZINC000185830583 285277605 /nfs/dbraw/zinc/27/76/05/285277605.db2.gz HDSKHDDJAZMBNO-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000352636192 285278515 /nfs/dbraw/zinc/27/85/15/285278515.db2.gz DYTCECVTSKRVAW-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000352636192 285278517 /nfs/dbraw/zinc/27/85/17/285278517.db2.gz DYTCECVTSKRVAW-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C(C)C ZINC000351815529 285281207 /nfs/dbraw/zinc/28/12/07/285281207.db2.gz WDLYBMFTVPGHIC-INIZCTEOSA-N 1 3 334.508 2.626 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc[nH]c1C(C)C ZINC000351815529 285281209 /nfs/dbraw/zinc/28/12/09/285281209.db2.gz WDLYBMFTVPGHIC-INIZCTEOSA-N 1 3 334.508 2.626 20 0 EFADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@H](C)CC1CCOCC1 ZINC000349037850 285281722 /nfs/dbraw/zinc/28/17/22/285281722.db2.gz TXXZOPSTRSMUAW-QUCCMNQESA-N 1 3 339.568 2.787 20 0 EFADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@H](C)CC1CCOCC1 ZINC000349037850 285281723 /nfs/dbraw/zinc/28/17/23/285281723.db2.gz TXXZOPSTRSMUAW-QUCCMNQESA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)cc1OC ZINC000349034723 285282455 /nfs/dbraw/zinc/28/24/55/285282455.db2.gz FPRIHWNUFFCDSR-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)cc1OC ZINC000349034723 285282456 /nfs/dbraw/zinc/28/24/56/285282456.db2.gz FPRIHWNUFFCDSR-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1 ZINC000344818392 285279628 /nfs/dbraw/zinc/27/96/28/285279628.db2.gz YXQNVJFBRPHMCP-HKUYNNGSSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1 ZINC000344818392 285279630 /nfs/dbraw/zinc/27/96/30/285279630.db2.gz YXQNVJFBRPHMCP-HKUYNNGSSA-N 1 3 331.504 2.665 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000459451072 255879184 /nfs/dbraw/zinc/87/91/84/255879184.db2.gz ACAXGCPTBLMDNX-UHFFFAOYSA-N 1 3 341.499 2.935 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000466309516 256002230 /nfs/dbraw/zinc/00/22/30/256002230.db2.gz WTKRTJLBXOZRCF-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCN(C2CCCC2)CC1 ZINC000466309516 256002233 /nfs/dbraw/zinc/00/22/33/256002233.db2.gz WTKRTJLBXOZRCF-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361766829 285389999 /nfs/dbraw/zinc/38/99/99/285389999.db2.gz UVDBZBBAIKBDGV-BDXSIMOUSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361766829 285390000 /nfs/dbraw/zinc/39/00/00/285390000.db2.gz UVDBZBBAIKBDGV-BDXSIMOUSA-N 1 3 338.540 2.621 20 0 EFADHO COc1ccc2c(c1)[C@H](NCc1ccnc(OCC[NH+](C)C)c1)CC2 ZINC000179508962 533299176 /nfs/dbraw/zinc/29/91/76/533299176.db2.gz WTAKBFSSDFHZSY-LJQANCHMSA-N 1 3 341.455 2.808 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000178698462 533377321 /nfs/dbraw/zinc/37/73/21/533377321.db2.gz DZHQWJVNALEVBF-RTBURBONSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000163928867 533377749 /nfs/dbraw/zinc/37/77/49/533377749.db2.gz XCJOZUPHJRSENW-CTNGQTDRSA-N 1 3 345.531 2.599 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000131983564 533415901 /nfs/dbraw/zinc/41/59/01/533415901.db2.gz BASNACYMHZCRKZ-XLIONFOSSA-N 1 3 342.483 2.881 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000166424354 533606227 /nfs/dbraw/zinc/60/62/27/533606227.db2.gz XWHFPIAAVDXYAQ-GOSISDBHSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000167540483 533632288 /nfs/dbraw/zinc/63/22/88/533632288.db2.gz YYPFKHWQWNHDGT-CWFFCZEZSA-N 1 3 341.499 2.529 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1C1CC1 ZINC000343515432 142010340 /nfs/dbraw/zinc/01/03/40/142010340.db2.gz LAKJCIPLLGSPHV-QAPCUYQASA-N 1 3 341.499 2.584 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1C1CC1 ZINC000343515435 142010646 /nfs/dbraw/zinc/01/06/46/142010646.db2.gz LAKJCIPLLGSPHV-YJBOKZPZSA-N 1 3 341.499 2.584 20 0 EFADHO CC[C@H](CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000344644448 142054837 /nfs/dbraw/zinc/05/48/37/142054837.db2.gz OJWWQKCYHHIWDD-FUHIMQAGSA-N 1 3 343.515 2.812 20 0 EFADHO CC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000344644448 142054838 /nfs/dbraw/zinc/05/48/38/142054838.db2.gz OJWWQKCYHHIWDD-FUHIMQAGSA-N 1 3 343.515 2.812 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000344803332 142080842 /nfs/dbraw/zinc/08/08/42/142080842.db2.gz CEGMPFZBGOFOJZ-KURKYZTESA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(CC[NH+](C)C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000344867304 142089718 /nfs/dbraw/zinc/08/97/18/142089718.db2.gz RUUYENZBJQZGDS-UHFFFAOYSA-N 1 3 326.444 2.661 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000346291981 142184683 /nfs/dbraw/zinc/18/46/83/142184683.db2.gz ROYPCZBEBCMXOF-PNBKFKSVSA-N 1 3 335.517 2.765 20 0 EFADHO C[C@H](CN(C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346424672 142202609 /nfs/dbraw/zinc/20/26/09/142202609.db2.gz BKFLIYBOFLWCMT-NNZMDNLPSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@H](CN(C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346424672 142202611 /nfs/dbraw/zinc/20/26/11/142202611.db2.gz BKFLIYBOFLWCMT-NNZMDNLPSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H](CN(C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000346424672 142202613 /nfs/dbraw/zinc/20/26/13/142202613.db2.gz BKFLIYBOFLWCMT-NNZMDNLPSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H](CN(C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000346424672 142202614 /nfs/dbraw/zinc/20/26/14/142202614.db2.gz BKFLIYBOFLWCMT-NNZMDNLPSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000346442113 142205030 /nfs/dbraw/zinc/20/50/30/142205030.db2.gz LXJUTWFICPUTHF-UYAOXDASSA-N 1 3 331.504 2.746 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347512726 142229080 /nfs/dbraw/zinc/22/90/80/142229080.db2.gz YRRMPKINUILSLW-QGZVFWFLSA-N 1 3 341.480 2.918 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000347644727 142249932 /nfs/dbraw/zinc/24/99/32/142249932.db2.gz BVDWNQAQZCLLQA-KRWDZBQOSA-N 1 3 326.529 2.669 20 0 EFADHO CCc1cc(CCC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)on1 ZINC000347747085 142265895 /nfs/dbraw/zinc/26/58/95/142265895.db2.gz KCXUCYNDMLCNHJ-IAGOWNOFSA-N 1 3 349.519 2.991 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000347753302 142266569 /nfs/dbraw/zinc/26/65/69/142266569.db2.gz JCCHVQQXSXZMKU-QRVBRYPASA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000347753302 142266570 /nfs/dbraw/zinc/26/65/70/142266570.db2.gz JCCHVQQXSXZMKU-QRVBRYPASA-N 1 3 343.515 2.982 20 0 EFADHO COC(=O)c1cc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cn1C ZINC000347795479 142273065 /nfs/dbraw/zinc/27/30/65/142273065.db2.gz HNJACZJFFFERCO-UHFFFAOYSA-N 1 3 343.471 2.942 20 0 EFADHO COC(=O)c1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cn1C ZINC000347795479 142273066 /nfs/dbraw/zinc/27/30/66/142273066.db2.gz HNJACZJFFFERCO-UHFFFAOYSA-N 1 3 343.471 2.942 20 0 EFADHO O[C@H](CC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000349331604 142322037 /nfs/dbraw/zinc/32/20/37/142322037.db2.gz MAFLETLDJQYMHI-QBPKDAKJSA-N 1 3 342.405 2.800 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000349739326 142353717 /nfs/dbraw/zinc/35/37/17/142353717.db2.gz BQAOXDKXZJRXPH-MSOLQXFVSA-N 1 3 340.556 2.870 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000349953220 142383074 /nfs/dbraw/zinc/38/30/74/142383074.db2.gz UIFGSFNFFOLRSW-HZPDHXFCSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)N(C)C2CC2)C1 ZINC000349953220 142383077 /nfs/dbraw/zinc/38/30/77/142383077.db2.gz UIFGSFNFFOLRSW-HZPDHXFCSA-N 1 3 338.540 2.669 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000349993468 142388377 /nfs/dbraw/zinc/38/83/77/142388377.db2.gz QUQUXMCSJHXFIJ-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000349993468 142388380 /nfs/dbraw/zinc/38/83/80/142388380.db2.gz QUQUXMCSJHXFIJ-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000337747367 143799926 /nfs/dbraw/zinc/79/99/26/143799926.db2.gz XNKDIZJGGVZYSR-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO COC1(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCCCC1 ZINC000361557766 292111669 /nfs/dbraw/zinc/11/16/69/292111669.db2.gz SGXVXIVVNLHECJ-RTBURBONSA-N 1 3 337.552 2.826 20 0 EFADHO COC(=O)COc1ccc(CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000341143726 145000254 /nfs/dbraw/zinc/00/02/54/145000254.db2.gz VSSZRTPIHIRILT-UHFFFAOYSA-N 1 3 348.487 2.792 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341153902 145002358 /nfs/dbraw/zinc/00/23/58/145002358.db2.gz CZZUTMDGLCANTN-MJGOQNOKSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341153902 145002360 /nfs/dbraw/zinc/00/23/60/145002360.db2.gz CZZUTMDGLCANTN-MJGOQNOKSA-N 1 3 325.541 2.540 20 0 EFADHO COc1cccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000341194294 145009910 /nfs/dbraw/zinc/00/99/10/145009910.db2.gz SLDHFTCMMYKWGS-GVDBMIGSSA-N 1 3 335.492 2.500 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000341228055 145017042 /nfs/dbraw/zinc/01/70/42/145017042.db2.gz JWMNWRRVOILAGF-CALCHBBNSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000341228055 145017043 /nfs/dbraw/zinc/01/70/43/145017043.db2.gz JWMNWRRVOILAGF-CALCHBBNSA-N 1 3 346.519 2.810 20 0 EFADHO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)C1 ZINC000341278114 145025088 /nfs/dbraw/zinc/02/50/88/145025088.db2.gz UIMHDEMSVQOYAF-OXQOHEQNSA-N 1 3 331.504 2.589 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCN1C ZINC000341286331 145026556 /nfs/dbraw/zinc/02/65/56/145026556.db2.gz QYUXCCRKGZDBTO-UZLBHIALSA-N 1 3 333.495 2.905 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318494 145032093 /nfs/dbraw/zinc/03/20/93/145032093.db2.gz FZRVPEUBVQCNFM-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318494 145032094 /nfs/dbraw/zinc/03/20/94/145032094.db2.gz FZRVPEUBVQCNFM-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000341318425 145032471 /nfs/dbraw/zinc/03/24/71/145032471.db2.gz WQURGIKWWIIBGG-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000341318425 145032473 /nfs/dbraw/zinc/03/24/73/145032473.db2.gz WQURGIKWWIIBGG-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095663 145061802 /nfs/dbraw/zinc/06/18/02/145061802.db2.gz YIINITJHULJIDK-SOUVJXGZSA-N 1 3 333.501 2.796 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]21 ZINC000342147728 145071147 /nfs/dbraw/zinc/07/11/47/145071147.db2.gz UXOASECERANCNN-BASLNEPJSA-N 1 3 333.863 2.505 20 0 EFADHO CC(C)[C@@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000342412991 145120446 /nfs/dbraw/zinc/12/04/46/145120446.db2.gz DVUZFUUIADAOFI-MSOLQXFVSA-N 1 3 335.492 2.705 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC2CC[NH2+]CC2)CCN1C ZINC000342686564 145172473 /nfs/dbraw/zinc/17/24/73/145172473.db2.gz AOUZTHHLOFITHD-LPHOPBHVSA-N 1 3 343.515 2.783 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000342691696 145173706 /nfs/dbraw/zinc/17/37/06/145173706.db2.gz IRELNKAUZRLLLD-QSJFSLAZSA-N 1 3 335.517 2.635 20 0 EFADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342712395 145177488 /nfs/dbraw/zinc/17/74/88/145177488.db2.gz RMLXGZZBBVICPT-LJQANCHMSA-N 1 3 343.515 2.785 20 0 EFADHO C[C@@]1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC[NH2+]C1 ZINC000342715974 145178629 /nfs/dbraw/zinc/17/86/29/145178629.db2.gz DVTZQHLFZFMHJG-FXAWDEMLSA-N 1 3 347.478 2.544 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342814360 145199409 /nfs/dbraw/zinc/19/94/09/145199409.db2.gz WHMWTBNKYZTNOK-KKSFZXQISA-N 1 3 343.515 2.732 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000342819702 145200823 /nfs/dbraw/zinc/20/08/23/145200823.db2.gz DGJQZZNZUNXCIW-SFTDATJTSA-N 1 3 343.515 2.972 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000342819702 145200825 /nfs/dbraw/zinc/20/08/25/145200825.db2.gz DGJQZZNZUNXCIW-SFTDATJTSA-N 1 3 343.515 2.972 20 0 EFADHO Cn1cc(CCN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342868123 145212582 /nfs/dbraw/zinc/21/25/82/145212582.db2.gz JOKJPGBEWROWBF-UHFFFAOYSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cc(CCN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000342868123 145212585 /nfs/dbraw/zinc/21/25/85/145212585.db2.gz JOKJPGBEWROWBF-UHFFFAOYSA-N 1 3 338.499 2.951 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc3nccn32)CC1 ZINC000342907580 145219220 /nfs/dbraw/zinc/21/92/20/145219220.db2.gz GQRHHPSBBSBZEO-UHFFFAOYSA-N 1 3 330.476 2.657 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000343567407 145240432 /nfs/dbraw/zinc/24/04/32/145240432.db2.gz LLUWZOOBYDWFMP-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000343567407 145240433 /nfs/dbraw/zinc/24/04/33/145240433.db2.gz LLUWZOOBYDWFMP-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCN1C ZINC000343586878 145245550 /nfs/dbraw/zinc/24/55/50/145245550.db2.gz CENDLTAJGFXVLM-APWZRJJASA-N 1 3 344.503 2.564 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343598906 145248301 /nfs/dbraw/zinc/24/83/01/145248301.db2.gz INELPQRFFIVGDI-APWZRJJASA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000343598906 145248304 /nfs/dbraw/zinc/24/83/04/145248304.db2.gz INELPQRFFIVGDI-APWZRJJASA-N 1 3 346.519 2.809 20 0 EFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CCN1C1CC[NH+](C)CC1 ZINC000343716723 145278179 /nfs/dbraw/zinc/27/81/79/145278179.db2.gz JHWTTZCGXVDUJZ-QGZVFWFLSA-N 1 3 327.516 2.776 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343805097 145299159 /nfs/dbraw/zinc/29/91/59/145299159.db2.gz YDBXIKBZFKYLNJ-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)C1 ZINC000343805097 145299161 /nfs/dbraw/zinc/29/91/61/145299161.db2.gz YDBXIKBZFKYLNJ-XMTFNYHQSA-N 1 3 338.540 2.526 20 0 EFADHO C[NH+](C)CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000343818605 145301537 /nfs/dbraw/zinc/30/15/37/145301537.db2.gz OBVCUWNQXGBHQD-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](CC1CCOCC1)NCc1ccncc1OCCC[NH+](C)C ZINC000344001088 145342228 /nfs/dbraw/zinc/34/22/28/145342228.db2.gz WJYTYINPJXGHCT-INIZCTEOSA-N 1 3 335.492 2.707 20 0 EFADHO COc1ccccc1C[C@@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000344008839 145344611 /nfs/dbraw/zinc/34/46/11/145344611.db2.gz ZMFHQLQRGFWZPX-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1[C@H](C)CC[C@H]1C ZINC000344034385 145351462 /nfs/dbraw/zinc/35/14/62/145351462.db2.gz NZDZJAPJPSARSQ-ZACQAIPSSA-N 1 3 335.492 2.821 20 0 EFADHO CCCCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344101603 145368929 /nfs/dbraw/zinc/36/89/29/145368929.db2.gz MNOOMKJOGBAYIP-OKZBNKHCSA-N 1 3 326.525 2.653 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000344121433 145373177 /nfs/dbraw/zinc/37/31/77/145373177.db2.gz CZZVIJATNQDKKO-ROUUACIJSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccccc1 ZINC000348665352 145985529 /nfs/dbraw/zinc/98/55/29/145985529.db2.gz ZFAGBQNUCLKVOH-RTBURBONSA-N 1 3 333.520 2.642 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781427 146000648 /nfs/dbraw/zinc/00/06/48/146000648.db2.gz LVYKQXUONBRHHP-RTBURBONSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781427 146000650 /nfs/dbraw/zinc/00/06/50/146000650.db2.gz LVYKQXUONBRHHP-RTBURBONSA-N 1 3 331.504 2.745 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000348815289 146007494 /nfs/dbraw/zinc/00/74/94/146007494.db2.gz FJGOKNTVJJTUKM-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCOc3cccc(F)c3)CC2)CC1 ZINC000348838557 146011061 /nfs/dbraw/zinc/01/10/61/146011061.db2.gz PXRIEEVSVHHJSE-UHFFFAOYSA-N 1 3 349.494 2.554 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000348842116 146011746 /nfs/dbraw/zinc/01/17/46/146011746.db2.gz DDOROCDCHULDKD-SFHVURJKSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000348842116 146011748 /nfs/dbraw/zinc/01/17/48/146011748.db2.gz DDOROCDCHULDKD-SFHVURJKSA-N 1 3 345.531 2.786 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccsc2)CC1 ZINC000348889677 146020361 /nfs/dbraw/zinc/02/03/61/146020361.db2.gz COLKRVJLYKTDKH-UHFFFAOYSA-N 1 3 337.533 2.808 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000348955258 146029555 /nfs/dbraw/zinc/02/95/55/146029555.db2.gz IRQJYSAJCKKYFO-YQQQUEKLSA-N 1 3 329.488 2.640 20 0 EFADHO CCCN(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348955258 146029557 /nfs/dbraw/zinc/02/95/57/146029557.db2.gz IRQJYSAJCKKYFO-YQQQUEKLSA-N 1 3 329.488 2.640 20 0 EFADHO CCCCCOc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000348971878 146031193 /nfs/dbraw/zinc/03/11/93/146031193.db2.gz ZGXPLVDDDQYUHG-IBGZPJMESA-N 1 3 331.504 2.735 20 0 EFADHO C[N@H+](Cc1ccccc1NC(=O)CCOC1CNC1)C1CCCCC1 ZINC000349030188 146039872 /nfs/dbraw/zinc/03/98/72/146039872.db2.gz SAVPPEYBBIKTOT-UHFFFAOYSA-N 1 3 345.487 2.768 20 0 EFADHO C[N@@H+](Cc1ccccc1NC(=O)CCOC1CNC1)C1CCCCC1 ZINC000349030188 146039874 /nfs/dbraw/zinc/03/98/74/146039874.db2.gz SAVPPEYBBIKTOT-UHFFFAOYSA-N 1 3 345.487 2.768 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)c(OC)c1 ZINC000349035106 146040678 /nfs/dbraw/zinc/04/06/78/146040678.db2.gz GOMNMBGKZABMAK-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(C)c(OC)c1 ZINC000349035106 146040681 /nfs/dbraw/zinc/04/06/81/146040681.db2.gz GOMNMBGKZABMAK-LJQANCHMSA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)cc(F)c1 ZINC000349059044 146044905 /nfs/dbraw/zinc/04/49/05/146044905.db2.gz BCUWIYADVYVCGE-GOSISDBHSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)cc(F)c1 ZINC000349059044 146044907 /nfs/dbraw/zinc/04/49/07/146044907.db2.gz BCUWIYADVYVCGE-GOSISDBHSA-N 1 3 325.447 2.813 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000349061907 146045500 /nfs/dbraw/zinc/04/55/00/146045500.db2.gz YREDZPLLRRLZJZ-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c[nH]nc1-c1ccsc1 ZINC000349070685 146047305 /nfs/dbraw/zinc/04/73/05/146047305.db2.gz CHKKLOBVFVPTLD-UHFFFAOYSA-N 1 3 347.532 2.596 20 0 EFADHO C[C@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)[C@@H]1CCC[NH2+]C1 ZINC000350780560 146090104 /nfs/dbraw/zinc/09/01/04/146090104.db2.gz DQUAHAWBAMSRIC-RHSMWYFYSA-N 1 3 328.460 2.976 20 0 EFADHO C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000350953895 146103482 /nfs/dbraw/zinc/10/34/82/146103482.db2.gz XLYZKPGYRRGRCR-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000351488135 146130078 /nfs/dbraw/zinc/13/00/78/146130078.db2.gz DTZWLSFNBHDJBS-KCPJHIHWSA-N 1 3 330.350 2.633 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]12 ZINC000351501448 146132746 /nfs/dbraw/zinc/13/27/46/146132746.db2.gz YBTSKMLEKZIDAT-BPLDGKMQSA-N 1 3 332.835 2.602 20 0 EFADHO CCOc1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000351599127 146155650 /nfs/dbraw/zinc/15/56/50/146155650.db2.gz VRVWJWAOFQUFRE-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1 ZINC000351599127 146155651 /nfs/dbraw/zinc/15/56/51/146155651.db2.gz VRVWJWAOFQUFRE-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351608314 146158239 /nfs/dbraw/zinc/15/82/39/146158239.db2.gz ZHJBVBDWFRWFSS-NLWGTHIKSA-N 1 3 332.488 2.730 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000351608314 146158240 /nfs/dbraw/zinc/15/82/40/146158240.db2.gz ZHJBVBDWFRWFSS-NLWGTHIKSA-N 1 3 332.488 2.730 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000351714342 146185352 /nfs/dbraw/zinc/18/53/52/146185352.db2.gz CPXFJDDULYFCKM-MRXNPFEDSA-N 1 3 346.519 2.620 20 0 EFADHO Cc1ccc(-c2noc(CCCN3CC[C@H]([C@@H](C)[NH3+])C3)n2)cc1F ZINC000351850593 146217605 /nfs/dbraw/zinc/21/76/05/146217605.db2.gz JFBRUHYGILPVRR-HIFRSBDPSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000351858585 146219393 /nfs/dbraw/zinc/21/93/93/146219393.db2.gz BATGJAWGIGHNEU-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]C1CCN(CCN(C)C)CC1 ZINC000352101704 146289581 /nfs/dbraw/zinc/28/95/81/146289581.db2.gz CPVWRRMSUULNIF-OBGWFSINSA-N 1 3 345.531 2.852 20 0 EFADHO C[C@H](NC(=O)NCC[N@H+](C)C1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000352821024 146323964 /nfs/dbraw/zinc/32/39/64/146323964.db2.gz RWLWQUPXFVJXNV-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@H](c1ccccc1)N(C)C ZINC000352821024 146323967 /nfs/dbraw/zinc/32/39/67/146323967.db2.gz RWLWQUPXFVJXNV-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC1CC[NH+](C)CC1)N(C)C ZINC000352827635 146326499 /nfs/dbraw/zinc/32/64/99/146326499.db2.gz MDPKOUNXEYIEQA-VQIMIIECSA-N 1 3 346.519 2.627 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353049463 146385778 /nfs/dbraw/zinc/38/57/78/146385778.db2.gz RPXXNKFYSIKTQH-VQTJNVASSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CCC1)N(C)C ZINC000355359768 146933249 /nfs/dbraw/zinc/93/32/49/146933249.db2.gz FOIPQFLEGRMRTC-FUHWJXTLSA-N 1 3 346.519 2.770 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCC(C)CC1 ZINC000356225452 147181207 /nfs/dbraw/zinc/18/12/07/147181207.db2.gz PZAMKZZCSPLMLS-FUHWJXTLSA-N 1 3 338.540 2.525 20 0 EFADHO CCN(Cc1ccccc1)C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000356574728 147281010 /nfs/dbraw/zinc/28/10/10/147281010.db2.gz YGNBMBXPBWDNLH-KRWDZBQOSA-N 1 3 331.504 2.697 20 0 EFADHO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000356837147 147349226 /nfs/dbraw/zinc/34/92/26/147349226.db2.gz DCZUBSAUUQNTDL-YYIAUSFCSA-N 1 3 342.405 2.800 20 0 EFADHO OC[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000356837143 147349409 /nfs/dbraw/zinc/34/94/09/147349409.db2.gz DCZUBSAUUQNTDL-LTIDMASMSA-N 1 3 342.405 2.800 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CCCOC3)cc2)CC1 ZINC000356895728 147365396 /nfs/dbraw/zinc/36/53/96/147365396.db2.gz KWOTVWJZERVSCI-GHTZIAJQSA-N 1 3 345.531 2.729 20 0 EFADHO NC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000356894771 147365878 /nfs/dbraw/zinc/36/58/78/147365878.db2.gz JZGXKURVANDLRG-ZSDFWYKJSA-N 1 3 341.499 2.531 20 0 EFADHO Fc1ccc(CN2CCN(CCC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000359211553 148024635 /nfs/dbraw/zinc/02/46/35/148024635.db2.gz DDCMHFJBNGDTOX-UHFFFAOYSA-N 1 3 339.886 2.986 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000359540605 148115643 /nfs/dbraw/zinc/11/56/43/148115643.db2.gz COCDDFAMCABTIG-RDJZCZTQSA-N 1 3 335.492 2.945 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](c2ccco2)N(C)C)[C@@H](C)C1 ZINC000359604465 148136783 /nfs/dbraw/zinc/13/67/83/148136783.db2.gz WRLGKOSDUCTVPI-OKZBNKHCSA-N 1 3 337.508 2.609 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359700608 148165581 /nfs/dbraw/zinc/16/55/81/148165581.db2.gz JDKDNNIXFLAKCZ-VQTJNVASSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359700608 148165584 /nfs/dbraw/zinc/16/55/84/148165584.db2.gz JDKDNNIXFLAKCZ-VQTJNVASSA-N 1 3 345.531 2.991 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000359723819 148171801 /nfs/dbraw/zinc/17/18/01/148171801.db2.gz BNIYRLJICJHUPO-CRSSMBPESA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000359723819 148171802 /nfs/dbraw/zinc/17/18/02/148171802.db2.gz BNIYRLJICJHUPO-CRSSMBPESA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000359723819 148171804 /nfs/dbraw/zinc/17/18/04/148171804.db2.gz BNIYRLJICJHUPO-CRSSMBPESA-N 1 3 326.484 2.814 20 0 EFADHO CC1CCC(CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000359936153 148227939 /nfs/dbraw/zinc/22/79/39/148227939.db2.gz WEULDRKPYNQYPQ-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN(CCOC)CC1)c1ccccc1 ZINC000359942867 148230836 /nfs/dbraw/zinc/23/08/36/148230836.db2.gz XLMOSEHDWBTHOA-HXUWFJFHSA-N 1 3 333.520 2.770 20 0 EFADHO OCCCC1CCN(C/C=C\C[NH+]2CCC(CCCO)CC2)CC1 ZINC000360090660 148269213 /nfs/dbraw/zinc/26/92/13/148269213.db2.gz XTTJCMPZJMNHFO-UPHRSURJSA-N 1 3 338.536 2.512 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000360134331 148279936 /nfs/dbraw/zinc/27/99/36/148279936.db2.gz GEDVXAVERHMHPR-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000360134331 148279939 /nfs/dbraw/zinc/27/99/39/148279939.db2.gz GEDVXAVERHMHPR-QGZVFWFLSA-N 1 3 326.529 2.623 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000360137079 148281018 /nfs/dbraw/zinc/28/10/18/148281018.db2.gz RNPPABXVRQYGHF-GOSISDBHSA-N 1 3 348.535 2.797 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000360137079 148281019 /nfs/dbraw/zinc/28/10/19/148281019.db2.gz RNPPABXVRQYGHF-GOSISDBHSA-N 1 3 348.535 2.797 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCC2 ZINC000363780270 149011419 /nfs/dbraw/zinc/01/14/19/149011419.db2.gz BWQQFMLAKXEDLL-OXQOHEQNSA-N 1 3 327.516 2.994 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000261828464 292200532 /nfs/dbraw/zinc/20/05/32/292200532.db2.gz UACBAVPLRRDGRO-GUDVDZBRSA-N 1 3 329.488 2.623 20 0 EFADHO CSC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000368786495 150203982 /nfs/dbraw/zinc/20/39/82/150203982.db2.gz LQTPGUGRUFEJOX-RTBURBONSA-N 1 3 334.529 2.698 20 0 EFADHO CSC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000368786495 150203984 /nfs/dbraw/zinc/20/39/84/150203984.db2.gz LQTPGUGRUFEJOX-RTBURBONSA-N 1 3 334.529 2.698 20 0 EFADHO Cc1ccc2cc(C[NH2+][C@@H]3CCN(C4CCN(C)CC4)C3)ccc2n1 ZINC000368921402 150236508 /nfs/dbraw/zinc/23/65/08/150236508.db2.gz OVHDJHCBAUMWCT-LJQANCHMSA-N 1 3 338.499 2.801 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000369199294 150298627 /nfs/dbraw/zinc/29/86/27/150298627.db2.gz UXUFVYRHKPVHGX-UHFFFAOYSA-N 1 3 344.547 2.752 20 0 EFADHO CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000369265648 150315494 /nfs/dbraw/zinc/31/54/94/150315494.db2.gz LJYZVCCIKWEJNT-XLIONFOSSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000369265648 150315498 /nfs/dbraw/zinc/31/54/98/150315498.db2.gz LJYZVCCIKWEJNT-XLIONFOSSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000369265649 150315726 /nfs/dbraw/zinc/31/57/26/150315726.db2.gz LJYZVCCIKWEJNT-YLJYHZDGSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000369265649 150315728 /nfs/dbraw/zinc/31/57/28/150315728.db2.gz LJYZVCCIKWEJNT-YLJYHZDGSA-N 1 3 331.504 2.543 20 0 EFADHO CCN1CCC[C@@H](CN(C)CC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000372540994 151025577 /nfs/dbraw/zinc/02/55/77/151025577.db2.gz TYFJFTMBEMPWJE-YSIASYRMSA-N 1 3 347.551 2.609 20 0 EFADHO CCN1CCC[C@@H](CN(C)CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000372540994 151025579 /nfs/dbraw/zinc/02/55/79/151025579.db2.gz TYFJFTMBEMPWJE-YSIASYRMSA-N 1 3 347.551 2.609 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000372984012 151092499 /nfs/dbraw/zinc/09/24/99/151092499.db2.gz SNRLULVOTMZJBC-IBGZPJMESA-N 1 3 348.535 2.710 20 0 EFADHO COc1cc(NCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)cc(OC)c1 ZINC000423001014 286238347 /nfs/dbraw/zinc/23/83/47/286238347.db2.gz HIYDNOYKTNIHPW-MOPGFXCFSA-N 1 3 327.428 2.850 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000373890107 151244122 /nfs/dbraw/zinc/24/41/22/151244122.db2.gz CPSZBMKOYFDIPS-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[NH+]1CCC2(CCCN([C@@H]3CCN(c4ccccc4)C3=O)C2)CC1 ZINC000374075098 151279852 /nfs/dbraw/zinc/27/98/52/151279852.db2.gz QELKHWIWBHJUJS-GOSISDBHSA-N 1 3 327.472 2.600 20 0 EFADHO CCc1cccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323302 151322727 /nfs/dbraw/zinc/32/27/27/151322727.db2.gz HFYTYXOVQNKGOI-WIYYLYMNSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323302 151322730 /nfs/dbraw/zinc/32/27/30/151322730.db2.gz HFYTYXOVQNKGOI-WIYYLYMNSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374323302 151322732 /nfs/dbraw/zinc/32/27/32/151322732.db2.gz HFYTYXOVQNKGOI-WIYYLYMNSA-N 1 3 345.531 2.586 20 0 EFADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000374432078 151346449 /nfs/dbraw/zinc/34/64/49/151346449.db2.gz ZXACMMVARWMWBM-XUBOLADHSA-N 1 3 341.499 2.769 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374632731 151385541 /nfs/dbraw/zinc/38/55/41/151385541.db2.gz VEVXFCPWCFTBQB-QRTARXTBSA-N 1 3 341.455 2.694 20 0 EFADHO COCC1(CNCc2cccc(OC)c2OC(C)C)CC[NH2+]CC1 ZINC000414954574 292246064 /nfs/dbraw/zinc/24/60/64/292246064.db2.gz LLGXTUIEVZRXFU-UHFFFAOYSA-N 1 3 336.476 2.588 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000378265088 152044777 /nfs/dbraw/zinc/04/47/77/152044777.db2.gz DYZWFMHYKNMKNR-IBGZPJMESA-N 1 3 329.488 2.552 20 0 EFADHO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC000378509344 152104661 /nfs/dbraw/zinc/10/46/61/152104661.db2.gz ABIFROTUMICCMA-LJQANCHMSA-N 1 3 341.499 2.738 20 0 EFADHO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCCN1Cc1ccccc1)CC2 ZINC000378509344 152104665 /nfs/dbraw/zinc/10/46/65/152104665.db2.gz ABIFROTUMICCMA-LJQANCHMSA-N 1 3 341.499 2.738 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)[C@@H]2C1 ZINC000378529041 152110889 /nfs/dbraw/zinc/11/08/89/152110889.db2.gz LTIKSMBKYLQOQM-VQIMIIECSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000378618044 152128075 /nfs/dbraw/zinc/12/80/75/152128075.db2.gz BVZSZLJEOQLOLF-HNNXBMFYSA-N 1 3 335.879 2.908 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422760510 286373369 /nfs/dbraw/zinc/37/33/69/286373369.db2.gz QEPBPAAWVQSAJT-VDGAXYAQSA-N 1 3 331.504 2.810 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309430 286372216 /nfs/dbraw/zinc/37/22/16/286372216.db2.gz TWHPPVSMSVUOHN-QUCCMNQESA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309430 286372218 /nfs/dbraw/zinc/37/22/18/286372218.db2.gz TWHPPVSMSVUOHN-QUCCMNQESA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309430 286372219 /nfs/dbraw/zinc/37/22/19/286372219.db2.gz TWHPPVSMSVUOHN-QUCCMNQESA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490945 286373222 /nfs/dbraw/zinc/37/32/22/286373222.db2.gz RVSCFNDTEOAKOC-IDCNUPLLSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490945 286373228 /nfs/dbraw/zinc/37/32/28/286373228.db2.gz RVSCFNDTEOAKOC-IDCNUPLLSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490945 286373230 /nfs/dbraw/zinc/37/32/30/286373230.db2.gz RVSCFNDTEOAKOC-IDCNUPLLSA-N 1 3 349.519 2.625 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(CC)CC ZINC000442875228 286386562 /nfs/dbraw/zinc/38/65/62/286386562.db2.gz NLRFEVDXBCDPMC-DLBZAZTESA-N 1 3 325.541 2.586 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(CC)CC ZINC000362031791 286398481 /nfs/dbraw/zinc/39/84/81/286398481.db2.gz FHEUWHPLSAGATG-NZSAHSFTSA-N 1 3 337.552 2.728 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000422957552 286921431 /nfs/dbraw/zinc/92/14/31/286921431.db2.gz NJWXHKZEOOEQEB-QUCCMNQESA-N 1 3 345.531 2.570 20 0 EFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000305771718 287022999 /nfs/dbraw/zinc/02/29/99/287022999.db2.gz ZPOXCMDLMOMNNO-CABCVRRESA-N 1 3 337.533 2.909 20 0 EFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1nc2c(s1)CCCC2 ZINC000305771718 287023000 /nfs/dbraw/zinc/02/30/00/287023000.db2.gz ZPOXCMDLMOMNNO-CABCVRRESA-N 1 3 337.533 2.909 20 0 EFADHO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261806310 287132800 /nfs/dbraw/zinc/13/28/00/287132800.db2.gz GBHICLWLHWGGOM-XJKSGUPXSA-N 1 3 327.394 2.746 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423056110 299000505 /nfs/dbraw/zinc/00/05/05/299000505.db2.gz XDGOMLAQEVESJF-QXAKKESOSA-N 1 3 332.488 2.715 20 0 EFADHO Cc1cccc2c(CCN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000422782406 292591803 /nfs/dbraw/zinc/59/18/03/292591803.db2.gz LZCAPTHSTZWDOH-GUDVDZBRSA-N 1 3 327.472 2.766 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000166265303 226152749 /nfs/dbraw/zinc/15/27/49/226152749.db2.gz DDOOYWVHUMIMIX-SOLBZPMBSA-N 1 3 331.504 2.903 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000122996899 222195538 /nfs/dbraw/zinc/19/55/38/222195538.db2.gz QSXMBRRTNBULIF-UHFFFAOYSA-N 1 3 345.487 2.770 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123209002 222235456 /nfs/dbraw/zinc/23/54/56/222235456.db2.gz FQQCSILDYKPUNW-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(-n2cnnn2)cc1 ZINC000123725483 222323866 /nfs/dbraw/zinc/32/38/66/222323866.db2.gz SWUNSGVBVKJNSH-HNNXBMFYSA-N 1 3 336.443 2.575 20 0 EFADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000124211050 222391821 /nfs/dbraw/zinc/39/18/21/222391821.db2.gz UOIBOEGCVIWTON-XVLXNVKGSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000124211050 222391824 /nfs/dbraw/zinc/39/18/24/222391824.db2.gz UOIBOEGCVIWTON-XVLXNVKGSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000124210789 222391949 /nfs/dbraw/zinc/39/19/49/222391949.db2.gz UOIBOEGCVIWTON-IPQPSQTFSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000124210789 222391952 /nfs/dbraw/zinc/39/19/52/222391952.db2.gz UOIBOEGCVIWTON-IPQPSQTFSA-N 1 3 329.488 2.638 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092071568 544541133 /nfs/dbraw/zinc/54/11/33/544541133.db2.gz JTNOSQFYCVQBKM-QGZVFWFLSA-N 1 3 328.460 2.730 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092071568 544541145 /nfs/dbraw/zinc/54/11/45/544541145.db2.gz JTNOSQFYCVQBKM-QGZVFWFLSA-N 1 3 328.460 2.730 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000090169285 544529993 /nfs/dbraw/zinc/52/99/93/544529993.db2.gz LLMKDKKMTJTJQQ-IBGZPJMESA-N 1 3 333.520 2.597 20 0 EFADHO OCC[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093107597 544551483 /nfs/dbraw/zinc/55/14/83/544551483.db2.gz YERMMFXLFDDRDW-SFHVURJKSA-N 1 3 332.488 2.756 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(OCCN(C)C)cc2)C1 ZINC000093692877 544555020 /nfs/dbraw/zinc/55/50/20/544555020.db2.gz QSHHXADGPGBQTB-LJQANCHMSA-N 1 3 333.520 2.791 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597054 544555512 /nfs/dbraw/zinc/55/55/12/544555512.db2.gz HVLXQQFMSHUIJY-IBGZPJMESA-N 1 3 331.504 2.545 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](C)C1 ZINC000115628356 544572718 /nfs/dbraw/zinc/57/27/18/544572718.db2.gz JQTRVUIOXZDHJF-SJLPKXTDSA-N 1 3 336.524 2.865 20 0 EFADHO COc1cccc(C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c1 ZINC000121057160 544592656 /nfs/dbraw/zinc/59/26/56/544592656.db2.gz SRSGQNLCWATEAK-OAQYLSRUSA-N 1 3 345.531 2.634 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777321 544634843 /nfs/dbraw/zinc/63/48/43/544634843.db2.gz DZVOMODBQDHYGL-CLCXKQKWSA-N 1 3 330.451 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000127777321 544634848 /nfs/dbraw/zinc/63/48/48/544634848.db2.gz DZVOMODBQDHYGL-CLCXKQKWSA-N 1 3 330.451 2.872 20 0 EFADHO CCCCOc1ccccc1CNCCC[N@@H+]1CCCN(C)CC1 ZINC000129454350 544646647 /nfs/dbraw/zinc/64/66/47/544646647.db2.gz NJAUBNIXGASJPR-UHFFFAOYSA-N 1 3 333.520 2.983 20 0 EFADHO CCCCOc1ccccc1CNCCC[N@H+]1CCCN(C)CC1 ZINC000129454350 544646651 /nfs/dbraw/zinc/64/66/51/544646651.db2.gz NJAUBNIXGASJPR-UHFFFAOYSA-N 1 3 333.520 2.983 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@H]2CCCCc3ccccc32)C1 ZINC000128149788 544638464 /nfs/dbraw/zinc/63/84/64/544638464.db2.gz HMZDYGZNPRMVDW-HKUYNNGSSA-N 1 3 329.488 2.631 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCCCc3ccccc32)C1 ZINC000128149788 544638469 /nfs/dbraw/zinc/63/84/69/544638469.db2.gz HMZDYGZNPRMVDW-HKUYNNGSSA-N 1 3 329.488 2.631 20 0 EFADHO NC(=O)[C@H]1CCC[N@H+](CCCN[C@@H]2CCCCc3ccccc32)C1 ZINC000128150007 544638777 /nfs/dbraw/zinc/63/87/77/544638777.db2.gz HMZDYGZNPRMVDW-PKOBYXMFSA-N 1 3 329.488 2.631 20 0 EFADHO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2CCCCc3ccccc32)C1 ZINC000128150007 544638780 /nfs/dbraw/zinc/63/87/80/544638780.db2.gz HMZDYGZNPRMVDW-PKOBYXMFSA-N 1 3 329.488 2.631 20 0 EFADHO CCCN1CCC([NH2+]C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 ZINC000153965635 544740539 /nfs/dbraw/zinc/74/05/39/544740539.db2.gz GATBBLGALWBARP-OAQYLSRUSA-N 1 3 345.531 2.832 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)CN2CCN(c3ccccc3)CC2)CC1 ZINC000163961316 544838732 /nfs/dbraw/zinc/83/87/32/544838732.db2.gz YIFWRLUTJYWSHH-LJQANCHMSA-N 1 3 344.547 2.661 20 0 EFADHO C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000166583717 544851798 /nfs/dbraw/zinc/85/17/98/544851798.db2.gz LQXYRFSRSRMKOO-QZTJIDSGSA-N 1 3 337.577 2.955 20 0 EFADHO C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000166583717 544851800 /nfs/dbraw/zinc/85/18/00/544851800.db2.gz LQXYRFSRSRMKOO-QZTJIDSGSA-N 1 3 337.577 2.955 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178034536 544900550 /nfs/dbraw/zinc/90/05/50/544900550.db2.gz JTSSUXXXPGYNEP-RHSMWYFYSA-N 1 3 337.508 2.978 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000121227471 264681200 /nfs/dbraw/zinc/68/12/00/264681200.db2.gz YPPTXQZBEFRBQH-ROUUACIJSA-N 1 3 333.520 2.928 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000184553155 265019398 /nfs/dbraw/zinc/01/93/98/265019398.db2.gz QOFMPGFMMATMLQ-DLBZAZTESA-N 1 3 337.508 2.896 20 0 EFADHO Cc1c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cnn1C(C)(C)C ZINC000191161552 265254176 /nfs/dbraw/zinc/25/41/76/265254176.db2.gz JEAPXGOTPZMNOB-HNNXBMFYSA-N 1 3 335.540 2.623 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191171219 265254451 /nfs/dbraw/zinc/25/44/51/265254451.db2.gz FUKLNEQVLXYFBQ-MRXNPFEDSA-N 1 3 335.540 2.625 20 0 EFADHO COC(=O)[C@](C)(C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000191578818 265269875 /nfs/dbraw/zinc/26/98/75/265269875.db2.gz OZQQDCIRLHQSHN-HXUWFJFHSA-N 1 3 332.488 2.970 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CCN2CCc3ccccc3C2=O)CC1 ZINC000191621316 265271257 /nfs/dbraw/zinc/27/12/57/265271257.db2.gz NDANMDZCMHBPSS-UHFFFAOYSA-N 1 3 329.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000192803230 265309401 /nfs/dbraw/zinc/30/94/01/265309401.db2.gz NTCODTYRIOKECT-RBUKOAKNSA-N 1 3 339.568 2.976 20 0 EFADHO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192804484 265309599 /nfs/dbraw/zinc/30/95/99/265309599.db2.gz LDGUNZROCYONKT-OALUTQOASA-N 1 3 325.541 2.586 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192844299 265309718 /nfs/dbraw/zinc/30/97/18/265309718.db2.gz UHOKCBNLLHMCTK-NRFANRHFSA-N 1 3 347.547 2.592 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192844299 265309721 /nfs/dbraw/zinc/30/97/21/265309721.db2.gz UHOKCBNLLHMCTK-NRFANRHFSA-N 1 3 347.547 2.592 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192844316 265309882 /nfs/dbraw/zinc/30/98/82/265309882.db2.gz UHOKCBNLLHMCTK-OAQYLSRUSA-N 1 3 347.547 2.592 20 0 EFADHO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192844316 265309884 /nfs/dbraw/zinc/30/98/84/265309884.db2.gz UHOKCBNLLHMCTK-OAQYLSRUSA-N 1 3 347.547 2.592 20 0 EFADHO CCC[C@]1(COC)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192850080 265310206 /nfs/dbraw/zinc/31/02/06/265310206.db2.gz LZFLTUQUBUTELA-LJQANCHMSA-N 1 3 325.541 2.684 20 0 EFADHO CCC[C@]1(COC)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192850080 265310209 /nfs/dbraw/zinc/31/02/09/265310209.db2.gz LZFLTUQUBUTELA-LJQANCHMSA-N 1 3 325.541 2.684 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000192803218 265310259 /nfs/dbraw/zinc/31/02/59/265310259.db2.gz NTCODTYRIOKECT-RTBURBONSA-N 1 3 339.568 2.976 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000227878153 265435128 /nfs/dbraw/zinc/43/51/28/265435128.db2.gz GCLMPTUXXPGRNR-MRXNPFEDSA-N 1 3 325.497 2.752 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](COC)c1ccc(F)c(F)c1 ZINC000271750964 266054512 /nfs/dbraw/zinc/05/45/12/266054512.db2.gz XNGPAFJHPKDVNX-WMLDXEAASA-N 1 3 330.419 2.599 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271827342 266072584 /nfs/dbraw/zinc/07/25/84/266072584.db2.gz DIMKCCATTKUGIJ-OAHLLOKOSA-N 1 3 349.906 2.929 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000271844223 266076832 /nfs/dbraw/zinc/07/68/32/266076832.db2.gz LENCTNSMWDQIOC-CTNGQTDRSA-N 1 3 345.531 2.742 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000271857085 266080090 /nfs/dbraw/zinc/08/00/90/266080090.db2.gz JLWWYDICRLKHEV-UXHICEINSA-N 1 3 346.515 2.937 20 0 EFADHO COc1ccc(CNCC2=CC[N@H+](C)CC2)cc1Br ZINC000271894944 266088611 /nfs/dbraw/zinc/08/86/11/266088611.db2.gz PGFVISWKIMSGHK-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO COc1ccc(CNCC2=CC[N@@H+](C)CC2)cc1Br ZINC000271894944 266088615 /nfs/dbraw/zinc/08/86/15/266088615.db2.gz PGFVISWKIMSGHK-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000272090936 266148393 /nfs/dbraw/zinc/14/83/93/266148393.db2.gz NDVFHQOJXQSGKO-LJQANCHMSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(CN(C)C)c1 ZINC000272186741 266181510 /nfs/dbraw/zinc/18/15/10/266181510.db2.gz UKPKKKIEGSFHRS-OAHLLOKOSA-N 1 3 332.492 2.942 20 0 EFADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272194587 266185067 /nfs/dbraw/zinc/18/50/67/266185067.db2.gz LALJNJWBIQBJCM-MJQMVNBJSA-N 1 3 331.504 2.790 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000272209343 266189807 /nfs/dbraw/zinc/18/98/07/266189807.db2.gz HKRSQMOBPOFZEJ-ZWOKBUDYSA-N 1 3 343.515 2.525 20 0 EFADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000272239755 266201973 /nfs/dbraw/zinc/20/19/73/266201973.db2.gz WGLZOHNPNVCFRW-QAPCUYQASA-N 1 3 341.455 2.802 20 0 EFADHO C[C@H]([NH2+]CCN1CCSCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272446559 266268461 /nfs/dbraw/zinc/26/84/61/266268461.db2.gz JGDSGINLUZYVNV-PKOBYXMFSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@H](NCCN1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272446559 266268464 /nfs/dbraw/zinc/26/84/64/266268464.db2.gz JGDSGINLUZYVNV-PKOBYXMFSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@H](NCCN1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272446559 266268466 /nfs/dbraw/zinc/26/84/66/266268466.db2.gz JGDSGINLUZYVNV-PKOBYXMFSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H]([NH2+]CCN1CCSCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272446557 266268995 /nfs/dbraw/zinc/26/89/95/266268995.db2.gz JGDSGINLUZYVNV-IEBWSBKVSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H](NCCN1CCSCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272446557 266268997 /nfs/dbraw/zinc/26/89/97/266268997.db2.gz JGDSGINLUZYVNV-IEBWSBKVSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H](NCCN1CCSCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272446557 266268999 /nfs/dbraw/zinc/26/89/99/266268999.db2.gz JGDSGINLUZYVNV-IEBWSBKVSA-N 1 3 333.545 2.535 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000272502916 266287131 /nfs/dbraw/zinc/28/71/31/266287131.db2.gz LNIAJWKXFMMNGX-HNNXBMFYSA-N 1 3 336.476 2.837 20 0 EFADHO C[C@@H](NCC1(C)CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000272523789 266293393 /nfs/dbraw/zinc/29/33/93/266293393.db2.gz IGAOAJCDRJFSHX-CYBMUJFWSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272669288 266344605 /nfs/dbraw/zinc/34/46/05/266344605.db2.gz PBNSOTMYRDQZJI-PIKOESSRSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272669288 266344606 /nfs/dbraw/zinc/34/46/06/266344606.db2.gz PBNSOTMYRDQZJI-PIKOESSRSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000272700515 266355384 /nfs/dbraw/zinc/35/53/84/266355384.db2.gz RYYGKHHKDHJRNG-FUMNGEBKSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272700515 266355386 /nfs/dbraw/zinc/35/53/86/266355386.db2.gz RYYGKHHKDHJRNG-FUMNGEBKSA-N 1 3 332.488 2.538 20 0 EFADHO COC[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000272700515 266355388 /nfs/dbraw/zinc/35/53/88/266355388.db2.gz RYYGKHHKDHJRNG-FUMNGEBKSA-N 1 3 332.488 2.538 20 0 EFADHO Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000272705944 266357136 /nfs/dbraw/zinc/35/71/36/266357136.db2.gz UEKUUPMKPOLFCN-NJDAHSKKSA-N 1 3 338.499 2.853 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000103211723 273000877 /nfs/dbraw/zinc/00/08/77/273000877.db2.gz CJNPUAQAFGOOJA-UHFFFAOYSA-N 1 3 347.434 2.651 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCN(C)C1)[NH+]1CCCC1 ZINC000108547883 273010191 /nfs/dbraw/zinc/01/01/91/273010191.db2.gz BSFMJTQXNKSVEP-FUHWJXTLSA-N 1 3 338.540 2.528 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[NH+]2CCC(C)CC2)cn1 ZINC000276936912 267080574 /nfs/dbraw/zinc/08/05/74/267080574.db2.gz FLMYCFPIRMVJTH-UHFFFAOYSA-N 1 3 348.535 2.766 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000277158591 267121474 /nfs/dbraw/zinc/12/14/74/267121474.db2.gz QWHXPGSBQIESLE-NEWSRXKRSA-N 1 3 333.545 2.676 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H]2CSCCN2Cc2ccccc2)CC[N@H+]1C ZINC000277158591 267121476 /nfs/dbraw/zinc/12/14/76/267121476.db2.gz QWHXPGSBQIESLE-NEWSRXKRSA-N 1 3 333.545 2.676 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111735519 273015417 /nfs/dbraw/zinc/01/54/17/273015417.db2.gz YYTPLCZEACKFLQ-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000111735519 273015418 /nfs/dbraw/zinc/01/54/18/273015418.db2.gz YYTPLCZEACKFLQ-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000278469083 267451513 /nfs/dbraw/zinc/45/15/13/267451513.db2.gz ZDDIAJRTJKEBPW-KRWDZBQOSA-N 1 3 333.545 2.667 20 0 EFADHO COc1ccccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955934 273026682 /nfs/dbraw/zinc/02/66/82/273026682.db2.gz WPGJDXJMNRZHLU-UHFFFAOYSA-N 1 3 348.487 2.651 20 0 EFADHO CN(C)[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000193852908 273065854 /nfs/dbraw/zinc/06/58/54/273065854.db2.gz HHYFHPDHWSRCTD-GOSISDBHSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCCC2)N2CCCC2)cc1 ZINC000237876252 273072593 /nfs/dbraw/zinc/07/25/93/273072593.db2.gz XHYGMJJWIFKKNQ-GOSISDBHSA-N 1 3 329.488 2.767 20 0 EFADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)COC2 ZINC000271528061 273104575 /nfs/dbraw/zinc/10/45/75/273104575.db2.gz PGCUSYYFSAWJOP-OAHLLOKOSA-N 1 3 341.455 2.903 20 0 EFADHO CN1CC=C(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000271881106 273111301 /nfs/dbraw/zinc/11/13/01/273111301.db2.gz PLWROFSBQXQGHB-UHFFFAOYSA-N 1 3 347.890 2.796 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272165556 273113279 /nfs/dbraw/zinc/11/32/79/273113279.db2.gz GRBZUOJQYQXGEV-JXFKEZNVSA-N 1 3 337.467 2.786 20 0 EFADHO CN(C)CCN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1 ZINC000276703054 273140340 /nfs/dbraw/zinc/14/03/40/273140340.db2.gz VYHSACQNTMRAFH-UHFFFAOYSA-N 1 3 337.467 2.583 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000279002846 273165299 /nfs/dbraw/zinc/16/52/99/273165299.db2.gz KSGVSNRTRHVODH-FQEVSTJZSA-N 1 3 341.499 2.736 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc(OCCN(C)C)c1 ZINC000279007568 273165966 /nfs/dbraw/zinc/16/59/66/273165966.db2.gz SKHHJYRZQFKHDU-SJORKVTESA-N 1 3 342.487 2.737 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000279273955 273196417 /nfs/dbraw/zinc/19/64/17/273196417.db2.gz NSEAXGKEJLETIF-ABSDTBQOSA-N 1 3 343.515 2.934 20 0 EFADHO CN(c1ccccc1C[N@H+](C)CCCCCO)C1CCN(C)CC1 ZINC000279472299 273219146 /nfs/dbraw/zinc/21/91/46/273219146.db2.gz SFOUUKIWJCHLKA-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)CCCCCO)C1CCN(C)CC1 ZINC000279472299 273219147 /nfs/dbraw/zinc/21/91/47/273219147.db2.gz SFOUUKIWJCHLKA-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCCN(C)C)[C@@H]1C ZINC000279849688 273260526 /nfs/dbraw/zinc/26/05/26/273260526.db2.gz IGUUUAIDKXDKEJ-SOLBZPMBSA-N 1 3 348.487 2.694 20 0 EFADHO Fc1ccc(-n2nccc2CNCC2CC[NH+](C3CC3)CC2)cc1 ZINC000280476624 273332112 /nfs/dbraw/zinc/33/21/12/273332112.db2.gz DCWLKSGUSPRVEP-UHFFFAOYSA-N 1 3 328.435 2.975 20 0 EFADHO COc1ccccc1-n1nccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000280858435 273374496 /nfs/dbraw/zinc/37/44/96/273374496.db2.gz CXSNCEILZRTSKZ-UHFFFAOYSA-N 1 3 340.471 2.845 20 0 EFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000280861299 273374760 /nfs/dbraw/zinc/37/47/60/273374760.db2.gz CDPPWGKKOOUAHD-AEFFLSMTSA-N 1 3 347.503 2.536 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000280861303 273374791 /nfs/dbraw/zinc/37/47/91/273374791.db2.gz CDPPWGKKOOUAHD-SJLPKXTDSA-N 1 3 347.503 2.536 20 0 EFADHO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc(OCCN(C)C)c1 ZINC000281007236 273390939 /nfs/dbraw/zinc/39/09/39/273390939.db2.gz LCZINQILWKKDRK-WNSKOXEYSA-N 1 3 338.517 2.579 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000355413205 287683219 /nfs/dbraw/zinc/68/32/19/287683219.db2.gz PWIAKIKXCXLSOC-LMMKCTJWSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000284055320 273791344 /nfs/dbraw/zinc/79/13/44/273791344.db2.gz KMAZUJORAFCPCF-LJQANCHMSA-N 1 3 330.476 2.638 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)c(C)c1OC ZINC000285524941 274017560 /nfs/dbraw/zinc/01/75/60/274017560.db2.gz BIOXQAXEDWNPNX-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO CN(CCCOc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285580209 274030341 /nfs/dbraw/zinc/03/03/41/274030341.db2.gz UABXSIVJPCONBA-XYPWUTKMSA-N 1 3 332.444 2.741 20 0 EFADHO CN(CCCOc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285580209 274030342 /nfs/dbraw/zinc/03/03/42/274030342.db2.gz UABXSIVJPCONBA-XYPWUTKMSA-N 1 3 332.444 2.741 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(CN(C)C)c1 ZINC000285677667 274050986 /nfs/dbraw/zinc/05/09/86/274050986.db2.gz NAYLVTANANJUAF-MAUKXSAKSA-N 1 3 330.476 2.839 20 0 EFADHO CC(C)[NH2+]C1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000285687136 274053262 /nfs/dbraw/zinc/05/32/62/274053262.db2.gz QVUDLFPIIRTLNV-UHFFFAOYSA-N 1 3 344.547 2.661 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000286094450 274132405 /nfs/dbraw/zinc/13/24/05/274132405.db2.gz MGPDGEVOEIWZGY-XSDIEEQYSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000286094450 274132407 /nfs/dbraw/zinc/13/24/07/274132407.db2.gz MGPDGEVOEIWZGY-XSDIEEQYSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000286094450 274132410 /nfs/dbraw/zinc/13/24/10/274132410.db2.gz MGPDGEVOEIWZGY-XSDIEEQYSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000286096290 274132769 /nfs/dbraw/zinc/13/27/69/274132769.db2.gz NAOULLXATZIZDW-PLACYPQZSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286096290 274132770 /nfs/dbraw/zinc/13/27/70/274132770.db2.gz NAOULLXATZIZDW-PLACYPQZSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000286096290 274132772 /nfs/dbraw/zinc/13/27/72/274132772.db2.gz NAOULLXATZIZDW-PLACYPQZSA-N 1 3 346.515 2.664 20 0 EFADHO c1ncn(CC[NH2+][C@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000286131389 274139711 /nfs/dbraw/zinc/13/97/11/274139711.db2.gz OMULMCPBSRQLGF-UFYCRDLUSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000286131389 274139712 /nfs/dbraw/zinc/13/97/12/274139712.db2.gz OMULMCPBSRQLGF-UFYCRDLUSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000286131389 274139713 /nfs/dbraw/zinc/13/97/13/274139713.db2.gz OMULMCPBSRQLGF-UFYCRDLUSA-N 1 3 339.487 2.559 20 0 EFADHO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000286268075 274165868 /nfs/dbraw/zinc/16/58/68/274165868.db2.gz TYCVJKZJLIKJCC-OKZBNKHCSA-N 1 3 349.544 2.669 20 0 EFADHO CSC1c2cc(-c3noc([C@H]4C[N@H+](C)C[C@H]4C)n3)ccc2NC1=O ZINC000361254372 274187534 /nfs/dbraw/zinc/18/75/34/274187534.db2.gz XUKZEIYTVGGVFL-LQJRIPTKSA-N 1 3 344.440 2.758 20 0 EFADHO CSC1c2cc(-c3noc([C@H]4C[N@@H+](C)C[C@H]4C)n3)ccc2NC1=O ZINC000361254372 274187535 /nfs/dbraw/zinc/18/75/35/274187535.db2.gz XUKZEIYTVGGVFL-LQJRIPTKSA-N 1 3 344.440 2.758 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(CCCN2CCN(c3ccccc3)CC2)C1 ZINC000286459395 274206321 /nfs/dbraw/zinc/20/63/21/274206321.db2.gz OPLLQNKCOOJSGY-NRFANRHFSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000286476710 274209481 /nfs/dbraw/zinc/20/94/81/274209481.db2.gz KJTFXYOSEKNYDG-APWZRJJASA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286943752 274306447 /nfs/dbraw/zinc/30/64/47/274306447.db2.gz FHLMHMLNBDVCKN-FXAWDEMLSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000287441254 274420974 /nfs/dbraw/zinc/42/09/74/274420974.db2.gz FZUZDQPKTUTFER-LPHOPBHVSA-N 1 3 344.503 2.516 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1 ZINC000420323334 275029353 /nfs/dbraw/zinc/02/93/53/275029353.db2.gz GDPRHSGSLDCUNX-HDMKZQKVSA-N 1 3 347.890 2.767 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000418342629 275746013 /nfs/dbraw/zinc/74/60/13/275746013.db2.gz FGWRROOQVCTGTF-ROUUACIJSA-N 1 3 332.492 2.627 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000349122187 276009410 /nfs/dbraw/zinc/00/94/10/276009410.db2.gz YJQRPPZIQWJHTO-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000349122187 276009411 /nfs/dbraw/zinc/00/94/11/276009411.db2.gz YJQRPPZIQWJHTO-IBGZPJMESA-N 1 3 335.536 2.975 20 0 EFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000340599143 276095630 /nfs/dbraw/zinc/09/56/30/276095630.db2.gz DBUPRNXBJDPSSZ-KSZLIROESA-N 1 3 337.552 2.933 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000342669784 276150178 /nfs/dbraw/zinc/15/01/78/276150178.db2.gz AQZNVXJPMSZHKP-OAQYLSRUSA-N 1 3 343.515 2.684 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000337802840 276165661 /nfs/dbraw/zinc/16/56/61/276165661.db2.gz IYKFELBXHRSZRO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000337802840 276165662 /nfs/dbraw/zinc/16/56/62/276165662.db2.gz IYKFELBXHRSZRO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367596539 276195960 /nfs/dbraw/zinc/19/59/60/276195960.db2.gz PUXANDRQFPSIOB-HKUYNNGSSA-N 1 3 347.551 2.894 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358510638 276319851 /nfs/dbraw/zinc/31/98/51/276319851.db2.gz SHDLPVQPKHEWNH-SFHVURJKSA-N 1 3 329.488 2.672 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1CC ZINC000349715935 276323905 /nfs/dbraw/zinc/32/39/05/276323905.db2.gz QGGTVMRGTVIVNO-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000355484153 276334659 /nfs/dbraw/zinc/33/46/59/276334659.db2.gz UYOJLVLRGVFMMT-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000181330438 276337496 /nfs/dbraw/zinc/33/74/96/276337496.db2.gz PCZZXDOVERNUOO-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000245905172 276360667 /nfs/dbraw/zinc/36/06/67/276360667.db2.gz MGCGBOUSGKUQSK-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccsc1 ZINC000337586420 276370925 /nfs/dbraw/zinc/37/09/25/276370925.db2.gz SHDOTMGEVDOVQL-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1ccsc1 ZINC000337586420 276370927 /nfs/dbraw/zinc/37/09/27/276370927.db2.gz SHDOTMGEVDOVQL-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337873 276393265 /nfs/dbraw/zinc/39/32/65/276393265.db2.gz REBINVNBQFQTLI-NBYUQASBSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337873 276393266 /nfs/dbraw/zinc/39/32/66/276393266.db2.gz REBINVNBQFQTLI-NBYUQASBSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000345337873 276393268 /nfs/dbraw/zinc/39/32/68/276393268.db2.gz REBINVNBQFQTLI-NBYUQASBSA-N 1 3 331.504 2.521 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416837573 276670137 /nfs/dbraw/zinc/67/01/37/276670137.db2.gz IAYNOJWKHRFVBE-PKOBYXMFSA-N 1 3 346.519 2.541 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000416836934 276672659 /nfs/dbraw/zinc/67/26/59/276672659.db2.gz HANANODRUMQIEQ-SNRMKQJTSA-N 1 3 346.519 2.539 20 0 EFADHO CN(c1nc2ccccc2s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363064313 277004084 /nfs/dbraw/zinc/00/40/84/277004084.db2.gz XYWLLYUVHIRICN-OAHLLOKOSA-N 1 3 330.501 2.901 20 0 EFADHO CN1CCN(CC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000441374829 277106105 /nfs/dbraw/zinc/10/61/05/277106105.db2.gz XFOUBHNTXBPEOC-UHFFFAOYSA-N 1 3 335.458 2.971 20 0 EFADHO CN1CCO[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000411697240 277129325 /nfs/dbraw/zinc/12/93/25/277129325.db2.gz KMICQPANJYOHRS-RTWAWAEBSA-N 1 3 343.515 2.577 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000433566803 277150449 /nfs/dbraw/zinc/15/04/49/277150449.db2.gz WYZSDPXFQRTXTQ-KRWDZBQOSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N(C)C)cc1 ZINC000358496575 277512855 /nfs/dbraw/zinc/51/28/55/277512855.db2.gz JHBVMPIEUVGNFX-LPHOPBHVSA-N 1 3 348.535 2.737 20 0 EFADHO C[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000237466474 277596586 /nfs/dbraw/zinc/59/65/86/277596586.db2.gz MYJSTTPNKFSKCU-MRXNPFEDSA-N 1 3 337.467 2.913 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000337439998 277610594 /nfs/dbraw/zinc/61/05/94/277610594.db2.gz YBUPSIIWRARTSG-HZPDHXFCSA-N 1 3 333.467 2.543 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CN2CCCC2)c2ccccc2C1 ZINC000360672148 278056255 /nfs/dbraw/zinc/05/62/55/278056255.db2.gz NOFKJPKUKFFROB-JXFKEZNVSA-N 1 3 329.488 2.801 20 0 EFADHO C[C@@]1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1Cc1ccccc1 ZINC000355937343 278122399 /nfs/dbraw/zinc/12/23/99/278122399.db2.gz LDWNKTXNAJIRSV-FQEVSTJZSA-N 1 3 341.499 2.786 20 0 EFADHO C[C@H](C(=O)N[C@H](CN(C)C)c1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000261795084 278154737 /nfs/dbraw/zinc/15/47/37/278154737.db2.gz ZGCRIBJKIUQJAL-IPELMVKDSA-N 1 3 325.456 2.742 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N(C)Cc1ccccc1 ZINC000343268670 278174165 /nfs/dbraw/zinc/17/41/65/278174165.db2.gz MCSMSXGQVRQXFD-WLRLJWMZSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468503 278257202 /nfs/dbraw/zinc/25/72/02/278257202.db2.gz XFLFDVJCNOKHBX-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468503 278257203 /nfs/dbraw/zinc/25/72/03/278257203.db2.gz XFLFDVJCNOKHBX-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1cccc(C)c1 ZINC000414195101 288037655 /nfs/dbraw/zinc/03/76/55/288037655.db2.gz NPYNZJLQWYPGAH-FQEVSTJZSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)C1CCC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414204280 278711343 /nfs/dbraw/zinc/71/13/43/278711343.db2.gz WCIJHFNQBVCOFI-UHFFFAOYSA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191837883 288102907 /nfs/dbraw/zinc/10/29/07/288102907.db2.gz BMORACGVMCHPGS-KOUHRCEDSA-N 1 3 345.531 2.596 20 0 EFADHO CCN(CC)CC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173285628 279086596 /nfs/dbraw/zinc/08/65/96/279086596.db2.gz ATCMISGXDPPJLB-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CCN(CC)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173285628 279086598 /nfs/dbraw/zinc/08/65/98/279086598.db2.gz ATCMISGXDPPJLB-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360782520 279128844 /nfs/dbraw/zinc/12/88/44/279128844.db2.gz SZYMTZRJINYYEO-ADKAHSJRSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000423333704 279137871 /nfs/dbraw/zinc/13/78/71/279137871.db2.gz SCLLVBRLMJTCQN-SFHVURJKSA-N 1 3 331.504 2.923 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418437230 279138041 /nfs/dbraw/zinc/13/80/41/279138041.db2.gz HQFMPXSXDNIMNE-IEBWSBKVSA-N 1 3 346.519 2.523 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1)C1CC1 ZINC000343784572 279235758 /nfs/dbraw/zinc/23/57/58/279235758.db2.gz FIRMEKKDDGMBFZ-YWZLYKJASA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)cc1)C1CC1 ZINC000343784572 279235760 /nfs/dbraw/zinc/23/57/60/279235760.db2.gz FIRMEKKDDGMBFZ-YWZLYKJASA-N 1 3 341.499 2.883 20 0 EFADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237647448 279246295 /nfs/dbraw/zinc/24/62/95/279246295.db2.gz VUPBUAIBBUAJKK-YLJYHZDGSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366258937 279247767 /nfs/dbraw/zinc/24/77/67/279247767.db2.gz KZGYATHIKZAYNJ-HZSPNIEDSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366258937 279247770 /nfs/dbraw/zinc/24/77/70/279247770.db2.gz KZGYATHIKZAYNJ-HZSPNIEDSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422942868 279256328 /nfs/dbraw/zinc/25/63/28/279256328.db2.gz KUVCFAYLRIGTKP-GHMZBOCLSA-N 1 3 343.265 2.998 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000352426826 279277868 /nfs/dbraw/zinc/27/78/68/279277868.db2.gz YTFCISZOQDSWBW-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000348628741 279281338 /nfs/dbraw/zinc/28/13/38/279281338.db2.gz VHMIEKBITCIXCV-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000348628741 279281341 /nfs/dbraw/zinc/28/13/41/279281341.db2.gz VHMIEKBITCIXCV-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000341318428 279282226 /nfs/dbraw/zinc/28/22/26/279282226.db2.gz WQURGIKWWIIBGG-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000341318428 279282228 /nfs/dbraw/zinc/28/22/28/279282228.db2.gz WQURGIKWWIIBGG-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072027648 279302583 /nfs/dbraw/zinc/30/25/83/279302583.db2.gz KWONXECZBYAHAE-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072027648 279302586 /nfs/dbraw/zinc/30/25/86/279302586.db2.gz KWONXECZBYAHAE-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1F ZINC000058182134 279302708 /nfs/dbraw/zinc/30/27/08/279302708.db2.gz NGNGQNJQRZFGII-OAHLLOKOSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1ccccc1F ZINC000058182134 279302709 /nfs/dbraw/zinc/30/27/09/279302709.db2.gz NGNGQNJQRZFGII-OAHLLOKOSA-N 1 3 336.455 2.706 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130826732 279349968 /nfs/dbraw/zinc/34/99/68/279349968.db2.gz TXGRIKQYSPILEL-MJGOQNOKSA-N 1 3 331.504 2.838 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130826732 279349969 /nfs/dbraw/zinc/34/99/69/279349969.db2.gz TXGRIKQYSPILEL-MJGOQNOKSA-N 1 3 331.504 2.838 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2CCCO)CC1 ZINC000092785222 279374999 /nfs/dbraw/zinc/37/49/99/279374999.db2.gz ZMTAFZRDAUHMKD-LJQANCHMSA-N 1 3 331.504 2.565 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CCCO)CC1 ZINC000092785222 279375001 /nfs/dbraw/zinc/37/50/01/279375001.db2.gz ZMTAFZRDAUHMKD-LJQANCHMSA-N 1 3 331.504 2.565 20 0 EFADHO C[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000237402752 279393086 /nfs/dbraw/zinc/39/30/86/279393086.db2.gz MYJSTTPNKFSKCU-INIZCTEOSA-N 1 3 337.467 2.913 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357093431 279459886 /nfs/dbraw/zinc/45/98/86/279459886.db2.gz YKFVQBMUMVPANZ-HXUWFJFHSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090178133 279531243 /nfs/dbraw/zinc/53/12/43/279531243.db2.gz ZLHAAKJBFPXBIL-RDJZCZTQSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000343730909 279995820 /nfs/dbraw/zinc/99/58/20/279995820.db2.gz FIDACHXSWKZWOI-LPHOPBHVSA-N 1 3 344.503 2.516 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)N1CCCCC1 ZINC000340816319 280160599 /nfs/dbraw/zinc/16/05/99/280160599.db2.gz HPFAFHYPKWHVGM-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)N1CCCCC1 ZINC000340816319 280160601 /nfs/dbraw/zinc/16/06/01/280160601.db2.gz HPFAFHYPKWHVGM-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293921 280211202 /nfs/dbraw/zinc/21/12/02/280211202.db2.gz MUPJGZVBFCLVGI-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293921 280211203 /nfs/dbraw/zinc/21/12/03/280211203.db2.gz MUPJGZVBFCLVGI-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293921 280211204 /nfs/dbraw/zinc/21/12/04/280211204.db2.gz MUPJGZVBFCLVGI-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293921 280211205 /nfs/dbraw/zinc/21/12/05/280211205.db2.gz MUPJGZVBFCLVGI-QGFMHUBQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000344803331 280251298 /nfs/dbraw/zinc/25/12/98/280251298.db2.gz CEGMPFZBGOFOJZ-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433913151 280251656 /nfs/dbraw/zinc/25/16/56/280251656.db2.gz BVPOVTOYUZHPTN-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000433913151 280251659 /nfs/dbraw/zinc/25/16/59/280251659.db2.gz BVPOVTOYUZHPTN-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246629041 280277756 /nfs/dbraw/zinc/27/77/56/280277756.db2.gz NZVVYWSYMMQYIH-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](N(C)C)C2)C1 ZINC000246629041 280277759 /nfs/dbraw/zinc/27/77/59/280277759.db2.gz NZVVYWSYMMQYIH-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420338841 280323271 /nfs/dbraw/zinc/32/32/71/280323271.db2.gz YCWNTGXWZDUDLK-GPMSIDNRSA-N 1 3 345.462 2.643 20 0 EFADHO CC[C@H](O)[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293925 281003407 /nfs/dbraw/zinc/00/34/07/281003407.db2.gz MUPJGZVBFCLVGI-VJANTYMQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@H](O)[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293925 281003409 /nfs/dbraw/zinc/00/34/09/281003409.db2.gz MUPJGZVBFCLVGI-VJANTYMQSA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@]1(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000134611123 281302236 /nfs/dbraw/zinc/30/22/36/281302236.db2.gz VRLXRBIMPBJVBI-UWWQBHOKSA-N 1 3 335.517 2.779 20 0 EFADHO CC[C@]1(C)CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354862681 281311638 /nfs/dbraw/zinc/31/16/38/281311638.db2.gz XBVOELURQVUDGA-UYAOXDASSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C)N(C)C ZINC000422214484 281388521 /nfs/dbraw/zinc/38/85/21/281388521.db2.gz ZNIRCDQOVDXBAK-LNLFQRSKSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C)N(C)C ZINC000422214484 281388523 /nfs/dbraw/zinc/38/85/23/281388523.db2.gz ZNIRCDQOVDXBAK-LNLFQRSKSA-N 1 3 346.519 2.722 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)CC1 ZINC000236631047 281825676 /nfs/dbraw/zinc/82/56/76/281825676.db2.gz WVNLHONLNLYONY-LJQANCHMSA-N 1 3 329.488 2.677 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2([NH3+])CCCC2)c2cccs2)CC1 ZINC000236650316 281833687 /nfs/dbraw/zinc/83/36/87/281833687.db2.gz YQGFPLFYMABRPP-HNNXBMFYSA-N 1 3 335.517 2.909 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NCC(C)(C)[NH3+])c2cccs2)CC1 ZINC000416825302 281834836 /nfs/dbraw/zinc/83/48/36/281834836.db2.gz ASKUYQPFPGLWOD-AWEZNQCLSA-N 1 3 338.521 2.558 20 0 EFADHO CCC(CC)(CC)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414480232 282056179 /nfs/dbraw/zinc/05/61/79/282056179.db2.gz IXVDEVCMLNXYBO-UHFFFAOYSA-N 1 3 325.541 2.589 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000422783680 289059960 /nfs/dbraw/zinc/05/99/60/289059960.db2.gz NFBAZIXGYHJTIL-QHAWAJNXSA-N 1 3 341.543 2.986 20 0 EFADHO C[NH+](C)CC(C)(C)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000457491867 289077721 /nfs/dbraw/zinc/07/77/21/289077721.db2.gz OGUDQBNAGHMEBT-AWEZNQCLSA-N 1 3 338.521 2.524 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414076658 289153746 /nfs/dbraw/zinc/15/37/46/289153746.db2.gz YLVCDSOGBMRRFZ-DLBZAZTESA-N 1 3 325.541 2.584 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000150738317 289223455 /nfs/dbraw/zinc/22/34/55/289223455.db2.gz VXEBJKFEQMEKHV-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000339403388 289224196 /nfs/dbraw/zinc/22/41/96/289224196.db2.gz PIPZJZUBXBRTGQ-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501882 289343039 /nfs/dbraw/zinc/34/30/39/289343039.db2.gz UHWQOJOAWHAFNR-NEFAXPCMSA-N 1 3 345.531 2.535 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1 ZINC000433959755 289357559 /nfs/dbraw/zinc/35/75/59/289357559.db2.gz VUUUQLBGJANXQS-RTBURBONSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000433959755 289357562 /nfs/dbraw/zinc/35/75/62/289357562.db2.gz VUUUQLBGJANXQS-RTBURBONSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@@H](C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076428128 292754739 /nfs/dbraw/zinc/75/47/39/292754739.db2.gz PISXRPPUICRVJM-QZTJIDSGSA-N 1 3 343.515 2.877 20 0 EFADHO CC(C)[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000077756700 292769569 /nfs/dbraw/zinc/76/95/69/292769569.db2.gz TWJILHNZYVHAQF-GOSISDBHSA-N 1 3 334.508 2.519 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000080664468 292806228 /nfs/dbraw/zinc/80/62/28/292806228.db2.gz QLGKNHBDZAITOZ-KRWDZBQOSA-N 1 3 326.529 2.669 20 0 EFADHO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128475720 293104202 /nfs/dbraw/zinc/10/42/02/293104202.db2.gz COOUIYCBYBTNOL-ROUUACIJSA-N 1 3 333.520 2.804 20 0 EFADHO CC[C@@H](Cc1ccccc1)N(C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000128631134 293110052 /nfs/dbraw/zinc/11/00/52/293110052.db2.gz LFUCUSSARQFFQP-FQEVSTJZSA-N 1 3 345.531 2.929 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000128953343 293120105 /nfs/dbraw/zinc/12/01/05/293120105.db2.gz RKKKGCAVPWOLAK-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000129034011 293121990 /nfs/dbraw/zinc/12/19/90/293121990.db2.gz QUQQRUSVWOAASA-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129429045 293133952 /nfs/dbraw/zinc/13/39/52/293133952.db2.gz KMTOQNNUTROBRF-BEFAXECRSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129429045 293133955 /nfs/dbraw/zinc/13/39/55/293133955.db2.gz KMTOQNNUTROBRF-BEFAXECRSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000130286946 293160535 /nfs/dbraw/zinc/16/05/35/293160535.db2.gz LHGQJKUTCVOGEW-PMPSAXMXSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000130286946 293160536 /nfs/dbraw/zinc/16/05/36/293160536.db2.gz LHGQJKUTCVOGEW-PMPSAXMXSA-N 1 3 325.497 2.848 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000130298796 293161321 /nfs/dbraw/zinc/16/13/21/293161321.db2.gz OQHIGVJNBSSYGU-HZPDHXFCSA-N 1 3 335.517 2.637 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000130864531 293180786 /nfs/dbraw/zinc/18/07/86/293180786.db2.gz MABLVTZNTGMKEL-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000130864531 293180788 /nfs/dbraw/zinc/18/07/88/293180788.db2.gz MABLVTZNTGMKEL-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000130864780 293180905 /nfs/dbraw/zinc/18/09/05/293180905.db2.gz MABLVTZNTGMKEL-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000130864780 293180907 /nfs/dbraw/zinc/18/09/07/293180907.db2.gz MABLVTZNTGMKEL-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CSCc1ccccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000133616084 293262886 /nfs/dbraw/zinc/26/28/86/293262886.db2.gz PICSOXJGDKOQME-UHFFFAOYSA-N 1 3 338.521 2.507 20 0 EFADHO CN(C)CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CCCC1 ZINC000133757436 293267581 /nfs/dbraw/zinc/26/75/81/293267581.db2.gz MCWDYUPNWMGLET-QGZVFWFLSA-N 1 3 340.556 2.869 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000133971958 293274246 /nfs/dbraw/zinc/27/42/46/293274246.db2.gz YYAJXSFFEVOVJN-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000133971958 293274249 /nfs/dbraw/zinc/27/42/49/293274249.db2.gz YYAJXSFFEVOVJN-LJQANCHMSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000151873727 293306704 /nfs/dbraw/zinc/30/67/04/293306704.db2.gz LKJHWLOTNXQXKZ-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000151873727 293306705 /nfs/dbraw/zinc/30/67/05/293306705.db2.gz LKJHWLOTNXQXKZ-LJQANCHMSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC000152014523 293313675 /nfs/dbraw/zinc/31/36/75/293313675.db2.gz IFHHBWJJWOTKOV-INIZCTEOSA-N 1 3 325.497 2.565 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)C1 ZINC000152090896 293317206 /nfs/dbraw/zinc/31/72/06/293317206.db2.gz APOQDQSOQJZLRC-MRXNPFEDSA-N 1 3 325.497 2.565 20 0 EFADHO CCOC(=O)N1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000152489630 293335741 /nfs/dbraw/zinc/33/57/41/293335741.db2.gz HMIXQPCVWNXHLC-UHFFFAOYSA-N 1 3 337.508 2.994 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000153797196 293395238 /nfs/dbraw/zinc/39/52/38/293395238.db2.gz AYKQGFBQAAZVQO-QUCCMNQESA-N 1 3 345.531 2.523 20 0 EFADHO CCC1(CO)CCN(C/C=C\C[NH+]2CCC(CC)(CO)CC2)CC1 ZINC000255913851 293893653 /nfs/dbraw/zinc/89/36/53/293893653.db2.gz DZTGOCOYRMPNSE-WAYWQWQTSA-N 1 3 338.536 2.512 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290103754 294000380 /nfs/dbraw/zinc/00/03/80/294000380.db2.gz KDEVWYSMTKRJJU-BVBHFADKSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C[C@H](C)O1 ZINC000290110842 294002194 /nfs/dbraw/zinc/00/21/94/294002194.db2.gz OFSWHVCVVRNBHW-CALCHBBNSA-N 1 3 334.504 2.893 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000290123195 294004910 /nfs/dbraw/zinc/00/49/10/294004910.db2.gz LFVKVLQDZSBGSF-VQTJNVASSA-N 1 3 343.515 2.744 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000290129671 294006386 /nfs/dbraw/zinc/00/63/86/294006386.db2.gz ZJZBDJYQLUURQB-HXUWFJFHSA-N 1 3 341.455 2.710 20 0 EFADHO C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000290152662 294012455 /nfs/dbraw/zinc/01/24/55/294012455.db2.gz LJJUQLKUWBDEEF-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290152662 294012458 /nfs/dbraw/zinc/01/24/58/294012458.db2.gz LJJUQLKUWBDEEF-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](CC(=O)N(C)C)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290152662 294012462 /nfs/dbraw/zinc/01/24/62/294012462.db2.gz LJJUQLKUWBDEEF-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CN(CCCN(C)Cc1c(C2CC2)nc2sccn12)CC[NH+](C)C ZINC000290283204 294046389 /nfs/dbraw/zinc/04/63/89/294046389.db2.gz ZIYPHBJPSRNFEV-UHFFFAOYSA-N 1 3 349.548 2.589 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000290288492 294048373 /nfs/dbraw/zinc/04/83/73/294048373.db2.gz XTTSIPSMBVNQEY-OALUTQOASA-N 1 3 331.504 2.731 20 0 EFADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290306508 294052815 /nfs/dbraw/zinc/05/28/15/294052815.db2.gz COECLMOULJXZSB-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC(=O)C12CCCN1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290306508 294052818 /nfs/dbraw/zinc/05/28/18/294052818.db2.gz COECLMOULJXZSB-HKUYNNGSSA-N 1 3 341.499 2.642 20 0 EFADHO COc1ccc(CN2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1OC ZINC000290354433 294065406 /nfs/dbraw/zinc/06/54/06/294065406.db2.gz GHOWRSQEQOMKGI-INIZCTEOSA-N 1 3 348.487 2.876 20 0 EFADHO Cc1ccc(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1 ZINC000290402614 294076997 /nfs/dbraw/zinc/07/69/97/294076997.db2.gz MBYLPWUCNDJHGA-UHFFFAOYSA-N 1 3 349.544 2.664 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2cccnc2)n1 ZINC000290407532 294078700 /nfs/dbraw/zinc/07/87/00/294078700.db2.gz JVZHUEUFFGSJLF-GOSISDBHSA-N 1 3 339.487 2.646 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2cccnc2)n1 ZINC000290407532 294078703 /nfs/dbraw/zinc/07/87/03/294078703.db2.gz JVZHUEUFFGSJLF-GOSISDBHSA-N 1 3 339.487 2.646 20 0 EFADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc(C)c1O ZINC000290499041 294103044 /nfs/dbraw/zinc/10/30/44/294103044.db2.gz WKKAQYVSJOCDCG-MOPGFXCFSA-N 1 3 332.488 2.867 20 0 EFADHO CN1CCC([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000290531130 294112347 /nfs/dbraw/zinc/11/23/47/294112347.db2.gz QSUDOMDMTMANDZ-KRWDZBQOSA-N 1 3 325.460 2.635 20 0 EFADHO CN1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000290531130 294112353 /nfs/dbraw/zinc/11/23/53/294112353.db2.gz QSUDOMDMTMANDZ-KRWDZBQOSA-N 1 3 325.460 2.635 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000290825589 294196190 /nfs/dbraw/zinc/19/61/90/294196190.db2.gz HKZFIYGQLAQAPD-QAPCUYQASA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1c[nH]c2nccnc12 ZINC000290825589 294196195 /nfs/dbraw/zinc/19/61/95/294196195.db2.gz HKZFIYGQLAQAPD-QAPCUYQASA-N 1 3 335.455 2.958 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290943872 294226659 /nfs/dbraw/zinc/22/66/59/294226659.db2.gz ORLNPXKDXCXQMW-XIRDDKMYSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290943872 294226661 /nfs/dbraw/zinc/22/66/61/294226661.db2.gz ORLNPXKDXCXQMW-XIRDDKMYSA-N 1 3 332.444 2.527 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CCCN1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291204560 294310087 /nfs/dbraw/zinc/31/00/87/294310087.db2.gz KCNLSPIRDHJSJE-RDJZCZTQSA-N 1 3 330.476 2.741 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)ccn1 ZINC000291484280 294393905 /nfs/dbraw/zinc/39/39/05/294393905.db2.gz RPZMPVQBMIKHQW-AEFFLSMTSA-N 1 3 333.501 2.695 20 0 EFADHO COc1cc(OC)c(CC[NH2+][C@@H]2C[C@H](N)c3ccccc32)c(OC)c1 ZINC000422885888 295005814 /nfs/dbraw/zinc/00/58/14/295005814.db2.gz HOTDYBJGSLULFN-ZWKOTPCHSA-N 1 3 342.439 2.989 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422890435 295005941 /nfs/dbraw/zinc/00/59/41/295005941.db2.gz SCQFBHCSAPWJJE-NXHRZFHOSA-N 1 3 348.487 2.765 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1)CN(C)C ZINC000293720522 295035707 /nfs/dbraw/zinc/03/57/07/295035707.db2.gz PPAQTNFWQJBHPN-IRXDYDNUSA-N 1 3 333.476 2.827 20 0 EFADHO CCN(CC)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293828501 295059192 /nfs/dbraw/zinc/05/91/92/295059192.db2.gz ALPUTQYXQRABCM-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)CN(C)C ZINC000293888320 295072125 /nfs/dbraw/zinc/07/21/25/295072125.db2.gz ZAVUBKRCPVAAIO-GJZGRUSLSA-N 1 3 339.911 2.864 20 0 EFADHO C[C@@H](CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl)C[NH+](C)C ZINC000293888320 295072127 /nfs/dbraw/zinc/07/21/27/295072127.db2.gz ZAVUBKRCPVAAIO-GJZGRUSLSA-N 1 3 339.911 2.864 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000294653856 295201320 /nfs/dbraw/zinc/20/13/20/295201320.db2.gz CCTRRYJUPWRRKT-QGZVFWFLSA-N 1 3 348.487 2.586 20 0 EFADHO CN(c1ccccc1C[NH2+]CCC(C)(C)CO)C1CCN(C)CC1 ZINC000294829809 295233740 /nfs/dbraw/zinc/23/37/40/295233740.db2.gz PVDUUYUZJADSLB-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@H+](CC)[C@@H](C)CO)c1)[C@@H](C)CO ZINC000294949019 295249795 /nfs/dbraw/zinc/24/97/95/295249795.db2.gz AOAFURIRWBJFBB-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@@H+](CC)[C@@H](C)CO)c1)[C@@H](C)CO ZINC000294949019 295249796 /nfs/dbraw/zinc/24/97/96/295249796.db2.gz AOAFURIRWBJFBB-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423048896 295258399 /nfs/dbraw/zinc/25/83/99/295258399.db2.gz JJKLWYNOVCEWIS-RZXSNQJFSA-N 1 3 344.499 2.862 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295120644 295270598 /nfs/dbraw/zinc/27/05/98/295270598.db2.gz XIPNFSFOAKYJLF-FUHWJXTLSA-N 1 3 335.467 2.624 20 0 EFADHO COc1nccc(CNCC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000295144421 295274177 /nfs/dbraw/zinc/27/41/77/295274177.db2.gz JBAVGLCZHSJRRJ-UHFFFAOYSA-N 1 3 332.473 2.549 20 0 EFADHO [NH3+]Cc1ccc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cc1 ZINC000414649900 295277684 /nfs/dbraw/zinc/27/76/84/295277684.db2.gz TXTJXPFKPMATRF-MRXNPFEDSA-N 1 3 328.416 2.511 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448329 298086440 /nfs/dbraw/zinc/08/64/40/298086440.db2.gz OACXHVFRUMVXII-BCDMZGRMSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448329 298086444 /nfs/dbraw/zinc/08/64/44/298086444.db2.gz OACXHVFRUMVXII-BCDMZGRMSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705450 298109446 /nfs/dbraw/zinc/10/94/46/298109446.db2.gz GXPNIVMJRVHUPK-OKZBNKHCSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000423023092 298393241 /nfs/dbraw/zinc/39/32/41/298393241.db2.gz IXJYXHLRDYNRBD-ZTFGCOKTSA-N 1 3 339.911 2.819 20 0 EFADHO C[C@H]([NH3+])C1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000430926380 298950287 /nfs/dbraw/zinc/95/02/87/298950287.db2.gz ODMFUOFETQUUET-DOFAYWRZSA-N 1 3 333.520 2.519 20 0 EFADHO C[C@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CCN1C1CC[NH+](C)CC1 ZINC000342675310 300265485 /nfs/dbraw/zinc/26/54/85/300265485.db2.gz PXCDXBOCDGLTKN-ICSRJNTNSA-N 1 3 349.563 2.969 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)N2CCCC2)cc1 ZINC000120121543 301796868 /nfs/dbraw/zinc/79/68/68/301796868.db2.gz SQCAEBRSOSKJLA-AZUAARDMSA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+]CCCCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000262639666 303375143 /nfs/dbraw/zinc/37/51/43/303375143.db2.gz JMNFPGWDBKCLMW-UHFFFAOYSA-N 1 3 347.503 2.739 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000364464349 303650369 /nfs/dbraw/zinc/65/03/69/303650369.db2.gz WLYGTPMQZJEXQI-PKOBYXMFSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417046539 303781858 /nfs/dbraw/zinc/78/18/58/303781858.db2.gz ZKINAKZQECRZHY-IEBWSBKVSA-N 1 3 344.503 2.512 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCCC34CCC4)CC2)ccn1 ZINC000449108951 304851754 /nfs/dbraw/zinc/85/17/54/304851754.db2.gz UKIQLWXPBGSYRE-IBGZPJMESA-N 1 3 328.504 2.906 20 0 EFADHO CC[C@@]1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCC[NH2+]1 ZINC000134579561 310643913 /nfs/dbraw/zinc/64/39/13/310643913.db2.gz UXGHXZHSDXJZDZ-KRWDZBQOSA-N 1 3 339.867 2.751 20 0 EFADHO Cn1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c(C(C)(C)C)n1 ZINC000180508933 310799960 /nfs/dbraw/zinc/79/99/60/310799960.db2.gz UAWWBNKMPVIJJZ-UHFFFAOYSA-N 1 3 348.535 2.794 20 0 EFADHO CC(C)(C)OC(=O)NCCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297301171 310878007 /nfs/dbraw/zinc/87/80/07/310878007.db2.gz ACCMPGNYXBEHGO-UHFFFAOYSA-N 1 3 334.464 2.555 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000298547416 311001461 /nfs/dbraw/zinc/00/14/61/311001461.db2.gz DSIMYVOHOYBBBY-BBWFWOEESA-N 1 3 331.504 2.779 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000298547416 311001463 /nfs/dbraw/zinc/00/14/63/311001463.db2.gz DSIMYVOHOYBBBY-BBWFWOEESA-N 1 3 331.504 2.779 20 0 EFADHO CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000298593259 311006197 /nfs/dbraw/zinc/00/61/97/311006197.db2.gz VCQXGIJCAUBYSY-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000299141593 311055670 /nfs/dbraw/zinc/05/56/70/311055670.db2.gz IWTSXWRCDNNFHV-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000299335295 311073880 /nfs/dbraw/zinc/07/38/80/311073880.db2.gz KHYIYJIFEPQGFC-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000299335295 311073881 /nfs/dbraw/zinc/07/38/81/311073881.db2.gz KHYIYJIFEPQGFC-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccsc1 ZINC000299373157 311078072 /nfs/dbraw/zinc/07/80/72/311078072.db2.gz MYHGTACSYJJHBM-HOCLYGCPSA-N 1 3 340.537 2.770 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201869 311115982 /nfs/dbraw/zinc/11/59/82/311115982.db2.gz BYEOXNFLEUDUIZ-QLFBSQMISA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000300201869 311115984 /nfs/dbraw/zinc/11/59/84/311115984.db2.gz BYEOXNFLEUDUIZ-QLFBSQMISA-N 1 3 325.497 2.752 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@H]1C ZINC000331224614 311361762 /nfs/dbraw/zinc/36/17/62/311361762.db2.gz DUDBFYRXSPNIHI-HIFRSBDPSA-N 1 3 336.455 2.541 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@H]1C ZINC000331224614 311361763 /nfs/dbraw/zinc/36/17/63/311361763.db2.gz DUDBFYRXSPNIHI-HIFRSBDPSA-N 1 3 336.455 2.541 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@H]1C ZINC000331224617 311361827 /nfs/dbraw/zinc/36/18/27/311361827.db2.gz DUDBFYRXSPNIHI-UKRRQHHQSA-N 1 3 336.455 2.541 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc(N)ccc2F)C[C@H]1C ZINC000331224617 311361828 /nfs/dbraw/zinc/36/18/28/311361828.db2.gz DUDBFYRXSPNIHI-UKRRQHHQSA-N 1 3 336.455 2.541 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)CN(C)C ZINC000390819236 311951976 /nfs/dbraw/zinc/95/19/76/311951976.db2.gz SQMZNLGEDYRWDK-INIZCTEOSA-N 1 3 333.476 2.575 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414833527 312055792 /nfs/dbraw/zinc/05/57/92/312055792.db2.gz FWSHVWOBTAQOSE-KSSFIOAISA-N 1 3 333.476 2.910 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414836462 312056452 /nfs/dbraw/zinc/05/64/52/312056452.db2.gz JIVVWOYJMCGGME-KGLIPLIRSA-N 1 3 325.884 2.522 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)N[C@H](C[NH3+])C1CCCCC1 ZINC000414839935 312057018 /nfs/dbraw/zinc/05/70/18/312057018.db2.gz LWUOBNWFEIGXTJ-QFBILLFUSA-N 1 3 331.504 2.621 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCCN1 ZINC000414965666 312068354 /nfs/dbraw/zinc/06/83/54/312068354.db2.gz ZVDVLMGTUTZPRC-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO COc1ccc(CNCCC[C@@H]2CCC[NH2+]2)c(Br)c1O ZINC000414966512 312068362 /nfs/dbraw/zinc/06/83/62/312068362.db2.gz GLGSIOVKJIJYCN-GFCCVEGCSA-N 1 3 343.265 2.785 20 0 EFADHO Cc1cc(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000414985570 312071750 /nfs/dbraw/zinc/07/17/50/312071750.db2.gz NAWLTNOKDMTXAE-MRXNPFEDSA-N 1 3 329.410 2.538 20 0 EFADHO COc1ccc(Br)c(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000415009089 312076836 /nfs/dbraw/zinc/07/68/36/312076836.db2.gz NTEZKZJZZHVELU-GOEBONIOSA-N 1 3 339.277 2.935 20 0 EFADHO CCOc1c(OC)cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415012078 312077065 /nfs/dbraw/zinc/07/70/65/312077065.db2.gz SAXDRQRSGCIXER-JKSUJKDBSA-N 1 3 334.460 2.580 20 0 EFADHO [NH3+]CCC[C@@H](NCc1cnc(N2CCOCC2)s1)c1ccccc1 ZINC000415048168 312083428 /nfs/dbraw/zinc/08/34/28/312083428.db2.gz FTNUXWJTEVWNCK-QGZVFWFLSA-N 1 3 346.500 2.550 20 0 EFADHO Cc1nn2c(CN[C@@H](CCC[NH3+])c3ccccc3)c(C)nc2s1 ZINC000415048120 312083454 /nfs/dbraw/zinc/08/34/54/312083454.db2.gz FQYDDNCRBAMVFP-HNNXBMFYSA-N 1 3 329.473 2.977 20 0 EFADHO Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@H]1CC[C@@H](C[NH3+])C1 ZINC000415050342 312083774 /nfs/dbraw/zinc/08/37/74/312083774.db2.gz YOEJAFLGSZJXKL-PWSUYJOCSA-N 1 3 326.366 2.809 20 0 EFADHO Cn1c2ccc(C(F)(F)F)cc2nc1CN[C@@H]1CC[C@H](C[NH3+])C1 ZINC000415050340 312083860 /nfs/dbraw/zinc/08/38/60/312083860.db2.gz YOEJAFLGSZJXKL-CMPLNLGQSA-N 1 3 326.366 2.809 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000415058705 312085428 /nfs/dbraw/zinc/08/54/28/312085428.db2.gz WBVPXBDWKWAAMF-IEBWSBKVSA-N 1 3 325.460 2.540 20 0 EFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415076034 312088719 /nfs/dbraw/zinc/08/87/19/312088719.db2.gz CENRIUBRQBVQTC-BRWVUGGUSA-N 1 3 348.487 2.765 20 0 EFADHO Cc1cccc([C@@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C(C)(C)C)c1 ZINC000415080541 312089500 /nfs/dbraw/zinc/08/95/00/312089500.db2.gz LWNVPKVNXISCHT-VQIMIIECSA-N 1 3 331.504 2.869 20 0 EFADHO Cc1cccc([C@H]([NH2+]C[C@H]2CCCN(C(=O)CN)C2)C(C)(C)C)c1 ZINC000415080535 312089537 /nfs/dbraw/zinc/08/95/37/312089537.db2.gz LWNVPKVNXISCHT-APWZRJJASA-N 1 3 331.504 2.869 20 0 EFADHO COc1ccc([C@H](CNC[C@]2(C)CC[NH2+]C2)N2CCCCC2)cc1 ZINC000415082405 312090020 /nfs/dbraw/zinc/09/00/20/312090020.db2.gz LRGAWFIDVLRNHC-VQTJNVASSA-N 1 3 331.504 2.811 20 0 EFADHO Cc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415096938 312093136 /nfs/dbraw/zinc/09/31/36/312093136.db2.gz CCNVIIYOKSQVAN-PKOBYXMFSA-N 1 3 331.504 2.869 20 0 EFADHO C[C@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415108375 312095369 /nfs/dbraw/zinc/09/53/69/312095369.db2.gz QAWAIWZWMQSLSA-QXSJWSMHSA-N 1 3 325.497 2.781 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415112522 312096170 /nfs/dbraw/zinc/09/61/70/312096170.db2.gz SHNCCXFTMJQACB-WOJBJXKFSA-N 1 3 332.488 2.976 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)o1 ZINC000415114600 312096665 /nfs/dbraw/zinc/09/66/65/312096665.db2.gz WAIXCZOIJIZJMN-VQIMIIECSA-N 1 3 344.459 2.696 20 0 EFADHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000415120056 312097595 /nfs/dbraw/zinc/09/75/95/312097595.db2.gz FTNHWBBGDUNQOH-CQSZACIVSA-N 1 3 333.505 2.933 20 0 EFADHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)s1 ZINC000415120056 312097597 /nfs/dbraw/zinc/09/75/97/312097597.db2.gz FTNHWBBGDUNQOH-CQSZACIVSA-N 1 3 333.505 2.933 20 0 EFADHO CC(C)(C)c1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000415120056 312097598 /nfs/dbraw/zinc/09/75/98/312097598.db2.gz FTNHWBBGDUNQOH-CQSZACIVSA-N 1 3 333.505 2.933 20 0 EFADHO CCN1CCN(c2ccc(NC[C@@H]3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000415118193 312097627 /nfs/dbraw/zinc/09/76/27/312097627.db2.gz JKFWJQOISQSZDV-QZTJIDSGSA-N 1 3 330.520 2.937 20 0 EFADHO [NH3+]Cc1cn([C@@H]2CCCN(Cc3ccc(-c4ccccc4)o3)C2)nn1 ZINC000415123737 312098624 /nfs/dbraw/zinc/09/86/24/312098624.db2.gz JOMZFEUIANJNCM-QGZVFWFLSA-N 1 3 337.427 2.834 20 0 EFADHO CCSc1cccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415128100 312099108 /nfs/dbraw/zinc/09/91/08/312099108.db2.gz NVAOXCGHPWGAIW-MRXNPFEDSA-N 1 3 331.489 2.686 20 0 EFADHO COc1ccccc1/C=C\CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130792 312099422 /nfs/dbraw/zinc/09/94/22/312099422.db2.gz XSTJHWUKQSHUNN-KIZWRVFCSA-N 1 3 330.472 2.927 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](CCCCCOc3ccccc3)C2)nn1 ZINC000415138276 312101439 /nfs/dbraw/zinc/10/14/39/312101439.db2.gz YTITTYJUOZOVRG-GOSISDBHSA-N 1 3 343.475 2.623 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)nn1 ZINC000415138276 312101441 /nfs/dbraw/zinc/10/14/41/312101441.db2.gz YTITTYJUOZOVRG-GOSISDBHSA-N 1 3 343.475 2.623 20 0 EFADHO COc1ccccc1-c1ccc(CN2CCC(O)(C[NH3+])CC2)cc1 ZINC000415144217 312102774 /nfs/dbraw/zinc/10/27/74/312102774.db2.gz UERXMWGICBGRDS-UHFFFAOYSA-N 1 3 326.440 2.648 20 0 EFADHO Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415200444 312113112 /nfs/dbraw/zinc/11/31/12/312113112.db2.gz FKHOHOLASZIDJT-CVEARBPZSA-N 1 3 348.491 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415203319 312113441 /nfs/dbraw/zinc/11/34/41/312113441.db2.gz LEFCRQAZKKLMQQ-WBVHZDCISA-N 1 3 348.491 2.669 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415203943 312113509 /nfs/dbraw/zinc/11/35/09/312113509.db2.gz MQKWDKIVSOPXTD-UHFFFAOYSA-N 1 3 336.480 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415203318 312113551 /nfs/dbraw/zinc/11/35/51/312113551.db2.gz LEFCRQAZKKLMQQ-RDJZCZTQSA-N 1 3 348.491 2.669 20 0 EFADHO Cc1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)c(OCCN(C)C)c1 ZINC000415204933 312113750 /nfs/dbraw/zinc/11/37/50/312113750.db2.gz PKFMUOGPTGYPDC-MRXNPFEDSA-N 1 3 348.491 2.589 20 0 EFADHO Cc1ccc(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)c(OCCN(C)C)c1 ZINC000415206706 312113848 /nfs/dbraw/zinc/11/38/48/312113848.db2.gz SVUTZVMEVZGZHL-OAHLLOKOSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c(OCCN(C)C)c1 ZINC000415205007 312113891 /nfs/dbraw/zinc/11/38/91/312113891.db2.gz QBOCWLAQFQQPFK-HOTGVXAUSA-N 1 3 348.491 2.574 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310503 312128038 /nfs/dbraw/zinc/12/80/38/312128038.db2.gz OTTAIAGEEPSJEE-INIZCTEOSA-N 1 3 348.491 2.528 20 0 EFADHO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310504 312128089 /nfs/dbraw/zinc/12/80/89/312128089.db2.gz OTTAIAGEEPSJEE-MRXNPFEDSA-N 1 3 348.491 2.528 20 0 EFADHO [NH3+]C1(CNC(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC1 ZINC000415310209 312128227 /nfs/dbraw/zinc/12/82/27/312128227.db2.gz OMUKPGPORWDXNQ-UHFFFAOYSA-N 1 3 346.475 2.554 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415314088 312128825 /nfs/dbraw/zinc/12/88/25/312128825.db2.gz WVSUCPIYVZNJJJ-INIZCTEOSA-N 1 3 348.491 2.800 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc3c(c2)CNCC3)cc1 ZINC000415883154 312179310 /nfs/dbraw/zinc/17/93/10/312179310.db2.gz MUDBIBGXWLBHOA-UHFFFAOYSA-N 1 3 338.455 2.716 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000415884772 312179383 /nfs/dbraw/zinc/17/93/83/312179383.db2.gz QWBABCPHQXVCMV-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415888168 312179948 /nfs/dbraw/zinc/17/99/48/312179948.db2.gz YZOUWJGFNIZRLP-OAHLLOKOSA-N 1 3 330.476 2.528 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415888168 312179950 /nfs/dbraw/zinc/17/99/50/312179950.db2.gz YZOUWJGFNIZRLP-OAHLLOKOSA-N 1 3 330.476 2.528 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000415914173 312181026 /nfs/dbraw/zinc/18/10/26/312181026.db2.gz VBBZJNOMMLGWPH-LPHOPBHVSA-N 1 3 342.487 2.887 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415914173 312181029 /nfs/dbraw/zinc/18/10/29/312181029.db2.gz VBBZJNOMMLGWPH-LPHOPBHVSA-N 1 3 342.487 2.887 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000415912678 312181055 /nfs/dbraw/zinc/18/10/55/312181055.db2.gz MLTCZTVTFBGWRR-MRXNPFEDSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000415912678 312181058 /nfs/dbraw/zinc/18/10/58/312181058.db2.gz MLTCZTVTFBGWRR-MRXNPFEDSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1cccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000415944299 312182517 /nfs/dbraw/zinc/18/25/17/312182517.db2.gz OVTYXSVBPKWTMO-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccco1 ZINC000415944987 312182848 /nfs/dbraw/zinc/18/28/48/312182848.db2.gz BQHUFQSAEGFOPY-BBRMVZONSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949466 312183799 /nfs/dbraw/zinc/18/37/99/312183799.db2.gz BXWXUILUKOBZLD-SUMWQHHRSA-N 1 3 346.450 2.562 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000415953446 312184422 /nfs/dbraw/zinc/18/44/22/312184422.db2.gz GYOKDSFXHRHXPA-UHFFFAOYSA-N 1 3 339.443 2.578 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415953587 312184696 /nfs/dbraw/zinc/18/46/96/312184696.db2.gz IPHLLXRHRBCLBC-ZFWWWQNUSA-N 1 3 346.450 2.562 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000415972040 312188326 /nfs/dbraw/zinc/18/83/26/312188326.db2.gz OMDLDXFWUYFQPX-ZWNOBZJWSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415972040 312188327 /nfs/dbraw/zinc/18/83/27/312188327.db2.gz OMDLDXFWUYFQPX-ZWNOBZJWSA-N 1 3 344.381 2.768 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000417223214 312200584 /nfs/dbraw/zinc/20/05/84/312200584.db2.gz RLPLXBOFZCUCKC-NEWSRXKRSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC(C)CC1 ZINC000417301673 312205926 /nfs/dbraw/zinc/20/59/26/312205926.db2.gz BTOTXVRPQAIIKT-GOSISDBHSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)N(C)C)cc1 ZINC000417303633 312206269 /nfs/dbraw/zinc/20/62/69/312206269.db2.gz DOGHOLIVXVGXNG-ZHALLVOQSA-N 1 3 346.519 2.662 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351668 312213055 /nfs/dbraw/zinc/21/30/55/312213055.db2.gz DCMYSPIGYKCYGV-OALUTQOASA-N 1 3 344.503 2.525 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](N)c2ccccc2CC)CC1 ZINC000417393137 312217230 /nfs/dbraw/zinc/21/72/30/312217230.db2.gz NYUWWLOAIQVKSM-LJQANCHMSA-N 1 3 346.519 2.813 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000417508679 312232621 /nfs/dbraw/zinc/23/26/21/312232621.db2.gz TZUCFBPHCZGIBC-LJQANCHMSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000417510042 312232646 /nfs/dbraw/zinc/23/26/46/312232646.db2.gz SIZIYWJHZXZGKF-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000417510042 312232648 /nfs/dbraw/zinc/23/26/48/312232648.db2.gz SIZIYWJHZXZGKF-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000417535746 312235836 /nfs/dbraw/zinc/23/58/36/312235836.db2.gz AYUAMJYQUCGQHV-LPHOPBHVSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000417535746 312235837 /nfs/dbraw/zinc/23/58/37/312235837.db2.gz AYUAMJYQUCGQHV-LPHOPBHVSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[N@H+](C)C1CC1 ZINC000417555982 312239212 /nfs/dbraw/zinc/23/92/12/312239212.db2.gz ZIEBRVCSYZCVSC-KUHUBIRLSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[N@@H+](C)C1CC1 ZINC000417555982 312239214 /nfs/dbraw/zinc/23/92/14/312239214.db2.gz ZIEBRVCSYZCVSC-KUHUBIRLSA-N 1 3 340.471 2.622 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417614860 312247987 /nfs/dbraw/zinc/24/79/87/312247987.db2.gz WATCLFKODZVLPF-IBGZPJMESA-N 1 3 342.487 2.871 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417614860 312247990 /nfs/dbraw/zinc/24/79/90/312247990.db2.gz WATCLFKODZVLPF-IBGZPJMESA-N 1 3 342.487 2.871 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417620783 312248743 /nfs/dbraw/zinc/24/87/43/312248743.db2.gz GNALAFZZMVVRGV-INMHGKMJSA-N 1 3 332.492 2.556 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417625205 312248945 /nfs/dbraw/zinc/24/89/45/312248945.db2.gz LNYZVWKPSBRSMQ-ZMSDIMECSA-N 1 3 332.492 2.542 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1 ZINC000417634305 312250176 /nfs/dbraw/zinc/25/01/76/312250176.db2.gz VJQULMIXMDHUJJ-JKSUJKDBSA-N 1 3 334.508 2.933 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1NCCc2ccccc21)C(C)(C)C ZINC000417681522 312255777 /nfs/dbraw/zinc/25/57/77/312255777.db2.gz PZDFOBMFKCCGOI-ZWKOTPCHSA-N 1 3 346.519 2.539 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)NC[C@H]1NCCc2ccccc21)C(C)(C)C ZINC000417681519 312255974 /nfs/dbraw/zinc/25/59/74/312255974.db2.gz PZDFOBMFKCCGOI-MSOLQXFVSA-N 1 3 346.519 2.539 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000417699235 312258598 /nfs/dbraw/zinc/25/85/98/312258598.db2.gz GXSARILJIBFZNR-NXHRZFHOSA-N 1 3 344.503 2.652 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417701375 312258886 /nfs/dbraw/zinc/25/88/86/312258886.db2.gz JJGVUXOTHYKXBZ-NVXWUHKLSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417700904 312258967 /nfs/dbraw/zinc/25/89/67/312258967.db2.gz JAOWSTUEYZWNTQ-SJORKVTESA-N 1 3 346.519 2.805 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417815939 312273943 /nfs/dbraw/zinc/27/39/43/312273943.db2.gz PHLBOHVZCXXSKJ-IBGZPJMESA-N 1 3 342.487 2.871 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417815939 312273945 /nfs/dbraw/zinc/27/39/45/312273945.db2.gz PHLBOHVZCXXSKJ-IBGZPJMESA-N 1 3 342.487 2.871 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417837739 312278690 /nfs/dbraw/zinc/27/86/90/312278690.db2.gz XRVFHHVHVPVKJD-QXAKKESOSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])CCN1Cc1ccccc1 ZINC000417836910 312278709 /nfs/dbraw/zinc/27/87/09/312278709.db2.gz LVJNLMPBUBSZEF-AEFFLSMTSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417981045 312304737 /nfs/dbraw/zinc/30/47/37/312304737.db2.gz LJRNNKKOOLXOAA-AEFFLSMTSA-N 1 3 334.508 2.522 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000418008821 312308601 /nfs/dbraw/zinc/30/86/01/312308601.db2.gz TXEKBLROMDTSKT-VQIMIIECSA-N 1 3 346.519 2.813 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418035140 312313768 /nfs/dbraw/zinc/31/37/68/312313768.db2.gz OYGXRBOICGRNFM-OTWHNJEPSA-N 1 3 346.519 2.570 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CCC[NH3+] ZINC000418037741 312314260 /nfs/dbraw/zinc/31/42/60/312314260.db2.gz REPUTNGQUCASOE-SJLPKXTDSA-N 1 3 334.508 2.570 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000418037756 312314453 /nfs/dbraw/zinc/31/44/53/312314453.db2.gz RGCPUECZYQDWIW-UHOSZYNNSA-N 1 3 346.519 2.522 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1 ZINC000418116484 312329234 /nfs/dbraw/zinc/32/92/34/312329234.db2.gz QGQXIGXTVGMSNO-OALUTQOASA-N 1 3 344.503 2.783 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000418146664 312334325 /nfs/dbraw/zinc/33/43/25/312334325.db2.gz PQXBGDXSOOOJCZ-OALUTQOASA-N 1 3 346.519 2.570 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(Cl)cc1 ZINC000418160872 312337032 /nfs/dbraw/zinc/33/70/32/312337032.db2.gz BRYVDEZXVJXKTG-XJKSGUPXSA-N 1 3 340.899 2.759 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccco1 ZINC000418161885 312337390 /nfs/dbraw/zinc/33/73/90/312337390.db2.gz FKFIBTJUSHLIFP-GJZGRUSLSA-N 1 3 336.480 2.670 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000418163523 312337811 /nfs/dbraw/zinc/33/78/11/312337811.db2.gz DMZQSXOKEVDPND-VQIMIIECSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1CCC([NH3+])CC1)N(C)C ZINC000418174509 312339888 /nfs/dbraw/zinc/33/98/88/312339888.db2.gz FDCSLOKUDWNKIR-YHOLWWCESA-N 1 3 332.492 2.555 20 0 EFADHO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000418175525 312340203 /nfs/dbraw/zinc/34/02/03/312340203.db2.gz GFOHJMLIRODQNO-NVXWUHKLSA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])N(C)C ZINC000418181235 312341410 /nfs/dbraw/zinc/34/14/10/312341410.db2.gz LCIMDWAONDCSTD-NEPXVJNWSA-N 1 3 346.519 2.898 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+])N(C)C ZINC000418187608 312342924 /nfs/dbraw/zinc/34/29/24/312342924.db2.gz SUVXVZSOUDSPJU-XPYUAMARSA-N 1 3 346.519 2.755 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000418188785 312343037 /nfs/dbraw/zinc/34/30/37/312343037.db2.gz URVDXZJAFCXTLS-JENIJYKNSA-N 1 3 346.519 2.627 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NCC[NH2+]CC)c1ccc(Cl)cc1 ZINC000418189445 312343250 /nfs/dbraw/zinc/34/32/50/312343250.db2.gz VMONHBAYWNJVFW-MRXNPFEDSA-N 1 3 340.899 2.632 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NC[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418190205 312343577 /nfs/dbraw/zinc/34/35/77/312343577.db2.gz WFAIZUSAEPYEAV-XJKSGUPXSA-N 1 3 340.899 2.617 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418191309 312343623 /nfs/dbraw/zinc/34/36/23/312343623.db2.gz XFDPFNSURBNNAU-XJKSGUPXSA-N 1 3 340.899 2.712 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418190201 312343627 /nfs/dbraw/zinc/34/36/27/312343627.db2.gz WFAIZUSAEPYEAV-CJNGLKHVSA-N 1 3 340.899 2.617 20 0 EFADHO CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC000418191743 312343967 /nfs/dbraw/zinc/34/39/67/312343967.db2.gz LKWROVAKQBQJMH-MSOLQXFVSA-N 1 3 334.508 2.524 20 0 EFADHO C[C@@H](NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[C@H](c1ccccc1)N(C)C ZINC000418192817 312344175 /nfs/dbraw/zinc/34/41/75/312344175.db2.gz YWZJUZKMVIWFJS-CIRFHOKZSA-N 1 3 332.492 2.589 20 0 EFADHO C[C@@H](NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[C@@H](c1ccccc1)N(C)C ZINC000418192819 312344333 /nfs/dbraw/zinc/34/43/33/312344333.db2.gz YWZJUZKMVIWFJS-MVJTYMMSSA-N 1 3 332.492 2.589 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420341947 312362242 /nfs/dbraw/zinc/36/22/42/312362242.db2.gz OYYAICUFGJXUGZ-SVFBPWRDSA-N 1 3 341.499 2.575 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420344223 312363053 /nfs/dbraw/zinc/36/30/53/312363053.db2.gz SECJXROESJJECK-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO C[C@@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000420343921 312363083 /nfs/dbraw/zinc/36/30/83/312363083.db2.gz SAWBGCMOAWBALN-WTTBNOFXSA-N 1 3 349.906 2.837 20 0 EFADHO CCN(C(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344441 312363333 /nfs/dbraw/zinc/36/33/33/312363333.db2.gz SYCMIIWXZVWLSF-KSZLIROESA-N 1 3 329.488 2.750 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792774 312391411 /nfs/dbraw/zinc/39/14/11/312391411.db2.gz PYKRVGKTDKKGKV-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCCN2C)C1 ZINC000420792774 312391413 /nfs/dbraw/zinc/39/14/13/312391413.db2.gz PYKRVGKTDKKGKV-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCN2C)c1 ZINC000420815015 312396125 /nfs/dbraw/zinc/39/61/25/312396125.db2.gz ZMMKDTURTYQVDU-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423384746 312418507 /nfs/dbraw/zinc/41/85/07/312418507.db2.gz HYXFNQJFLTWWMU-DAXOMENPSA-N 1 3 327.394 2.661 20 0 EFADHO CC1(C)Cc2occc2[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423391910 312419061 /nfs/dbraw/zinc/41/90/61/312419061.db2.gz PSFQTHMVMBYJBF-DZGCQCFKSA-N 1 3 345.409 2.719 20 0 EFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)s1 ZINC000423389027 312419107 /nfs/dbraw/zinc/41/91/07/312419107.db2.gz NGLUZMNYPKBFSL-MWLCHTKSSA-N 1 3 341.830 2.888 20 0 EFADHO C[C@@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423448853 312419667 /nfs/dbraw/zinc/41/96/67/312419667.db2.gz FQUYNRVZBAUDTF-NJAPINKUSA-N 1 3 335.879 2.637 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423452546 312420250 /nfs/dbraw/zinc/42/02/50/312420250.db2.gz ZBFKAVYXFXJYRS-WMZOPIPTSA-N 1 3 331.504 2.903 20 0 EFADHO CC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000423562579 312433410 /nfs/dbraw/zinc/43/34/10/312433410.db2.gz QSZSLXBGPICPNC-NRFANRHFSA-N 1 3 341.499 2.501 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423741685 312446714 /nfs/dbraw/zinc/44/67/14/312446714.db2.gz HYXQUGXUUVWYLG-IRXDYDNUSA-N 1 3 337.895 2.618 20 0 EFADHO CCO[C@@H]1C[C@@](N)(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1(C)C ZINC000423777401 312451905 /nfs/dbraw/zinc/45/19/05/312451905.db2.gz BYFBJYCXBUCBQB-VQIMIIECSA-N 1 3 333.476 2.528 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423782220 312452634 /nfs/dbraw/zinc/45/26/34/312452634.db2.gz YPFHYYMCMAEBOH-RHSMWYFYSA-N 1 3 337.895 2.839 20 0 EFADHO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(CN2CCCC2)c1 ZINC000423971117 312492070 /nfs/dbraw/zinc/49/20/70/312492070.db2.gz KBKHRLHUKMPDMC-LEWJYISDSA-N 1 3 349.478 2.768 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423978848 312493772 /nfs/dbraw/zinc/49/37/72/312493772.db2.gz QWXMJEHPPLDLGK-WOJBJXKFSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423978844 312493832 /nfs/dbraw/zinc/49/38/32/312493832.db2.gz QWXMJEHPPLDLGK-PMACEKPBSA-N 1 3 341.499 2.887 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)CC1 ZINC000438912284 312624971 /nfs/dbraw/zinc/62/49/71/312624971.db2.gz NKKRCCFOCCTIFA-ZVDOUQERSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@H]1C[C@@H](NCCc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000453102261 312862614 /nfs/dbraw/zinc/86/26/14/312862614.db2.gz PIQLSQFXOYPOHB-MAUKXSAKSA-N 1 3 328.460 2.662 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000457930111 313042208 /nfs/dbraw/zinc/04/22/08/313042208.db2.gz KMAWHBBVWKESSY-DLBZAZTESA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000457930111 313042211 /nfs/dbraw/zinc/04/22/11/313042211.db2.gz KMAWHBBVWKESSY-DLBZAZTESA-N 1 3 338.540 2.621 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048620 313062304 /nfs/dbraw/zinc/06/23/04/313062304.db2.gz OLLFVMKNCYQTEK-OALUTQOASA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048620 313062308 /nfs/dbraw/zinc/06/23/08/313062308.db2.gz OLLFVMKNCYQTEK-OALUTQOASA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)N2CCCC2)cc1 ZINC000458131495 313076585 /nfs/dbraw/zinc/07/65/85/313076585.db2.gz GREGRHYMIBJRGM-GOSISDBHSA-N 1 3 346.519 2.771 20 0 EFADHO OC1CCN(Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000459372143 313102605 /nfs/dbraw/zinc/10/26/05/313102605.db2.gz SDPCFJWMIKJTSN-UHFFFAOYSA-N 1 3 329.488 2.682 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471767500 313157990 /nfs/dbraw/zinc/15/79/90/313157990.db2.gz HHZPBJZGXLPERE-MOPGFXCFSA-N 1 3 331.504 2.525 20 0 EFADHO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475034987 313215369 /nfs/dbraw/zinc/21/53/69/313215369.db2.gz XBFRRCOXSAEJLM-ZHALLVOQSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000475034987 313215373 /nfs/dbraw/zinc/21/53/73/313215373.db2.gz XBFRRCOXSAEJLM-ZHALLVOQSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000475100648 313217416 /nfs/dbraw/zinc/21/74/16/313217416.db2.gz JQYLVRRAJJHYOE-WMZOPIPTSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000477243702 313241148 /nfs/dbraw/zinc/24/11/48/313241148.db2.gz NLJHMSRBUXKMIZ-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000486614588 313341136 /nfs/dbraw/zinc/34/11/36/313341136.db2.gz KPXAMNPJDMZENL-JRBPQWBISA-N 1 3 348.535 2.988 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000487325736 313385865 /nfs/dbraw/zinc/38/58/65/313385865.db2.gz PDGJIIIVSRQHQW-ARJAWSKDSA-N 1 3 337.467 2.841 20 0 EFADHO OC1CC[NH+](Cc2ccccc2CNC/C=C\c2ccncc2)CC1 ZINC000487325736 313385868 /nfs/dbraw/zinc/38/58/68/313385868.db2.gz PDGJIIIVSRQHQW-ARJAWSKDSA-N 1 3 337.467 2.841 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000492697341 314088977 /nfs/dbraw/zinc/08/89/77/314088977.db2.gz ATLPIFSDCXFBMX-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000492697341 314088983 /nfs/dbraw/zinc/08/89/83/314088983.db2.gz ATLPIFSDCXFBMX-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO C[NH+](C)C/C=C\C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000492855775 314152508 /nfs/dbraw/zinc/15/25/08/314152508.db2.gz HCDHFEAXZFZQGK-IBWPDUFMSA-N 1 3 329.488 2.521 20 0 EFADHO CN(C)C/C=C\C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000492894758 314167271 /nfs/dbraw/zinc/16/72/71/314167271.db2.gz OMNORWGRKYBKTH-TWGQIWQCSA-N 1 3 341.499 2.619 20 0 EFADHO CC1CCN([C@@H](CNC(=O)/C=C\C[NH+](C)C)c2ccccc2)CC1 ZINC000492972228 314197075 /nfs/dbraw/zinc/19/70/75/314197075.db2.gz JIBHJKPGORMAJB-KWEPMOPPSA-N 1 3 329.488 2.694 20 0 EFADHO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000495926839 314880652 /nfs/dbraw/zinc/88/06/52/314880652.db2.gz HFWFWNSIDGXLSX-OAHLLOKOSA-N 1 3 348.491 2.943 20 0 EFADHO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(CN)nc2C)CC1 ZINC000496103851 314946197 /nfs/dbraw/zinc/94/61/97/314946197.db2.gz NDWZOZOMIKEUTR-KGLIPLIRSA-N 1 3 348.491 2.756 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496269139 315005895 /nfs/dbraw/zinc/00/58/95/315005895.db2.gz ZQMFLLVNLHNUIR-QFBILLFUSA-N 1 3 345.487 2.765 20 0 EFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293652 315015795 /nfs/dbraw/zinc/01/57/95/315015795.db2.gz MPVQKRRPFQDFBF-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293652 315015798 /nfs/dbraw/zinc/01/57/98/315015798.db2.gz MPVQKRRPFQDFBF-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000496293652 315015799 /nfs/dbraw/zinc/01/57/99/315015799.db2.gz MPVQKRRPFQDFBF-HRCADAONSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2=CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496295380 315016808 /nfs/dbraw/zinc/01/68/08/315016808.db2.gz OWQGMUMRUVTCEO-DOTOQJQBSA-N 1 3 337.508 2.874 20 0 EFADHO CC[C@@H](CNC1CC[NH+](CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC000496319565 315025697 /nfs/dbraw/zinc/02/56/97/315025697.db2.gz CXVGVXSJVCEWQE-HNNXBMFYSA-N 1 3 325.497 2.754 20 0 EFADHO CC(C)C[C@@H](C[N@@H+]1CC[C@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374276 315044517 /nfs/dbraw/zinc/04/45/17/315044517.db2.gz KPMOARFDQNWJKJ-CVEARBPZSA-N 1 3 327.513 2.809 20 0 EFADHO CC(C)C[C@@H](C[N@H+]1CC[C@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374276 315044519 /nfs/dbraw/zinc/04/45/19/315044519.db2.gz KPMOARFDQNWJKJ-CVEARBPZSA-N 1 3 327.513 2.809 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496421085 315061391 /nfs/dbraw/zinc/06/13/91/315061391.db2.gz QLKQSDBSHVRKTR-GJYPPUQNSA-N 1 3 337.508 2.565 20 0 EFADHO NC(=O)OC[C@H](Cc1ccccc1)[NH2+]C1CCN(CC2CC2)CC1 ZINC000496439792 315067637 /nfs/dbraw/zinc/06/76/37/315067637.db2.gz OUZRHHMPLATXPJ-SFHVURJKSA-N 1 3 331.460 2.571 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462690 315075396 /nfs/dbraw/zinc/07/53/96/315075396.db2.gz RGQJDLBWWVEVGV-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462690 315075399 /nfs/dbraw/zinc/07/53/99/315075399.db2.gz RGQJDLBWWVEVGV-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462690 315075402 /nfs/dbraw/zinc/07/54/02/315075402.db2.gz RGQJDLBWWVEVGV-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496462690 315075404 /nfs/dbraw/zinc/07/54/04/315075404.db2.gz RGQJDLBWWVEVGV-DLBZAZTESA-N 1 3 339.524 2.907 20 0 EFADHO CC[C@H](NC[C@H]1CCC[NH2+]C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542144 315103931 /nfs/dbraw/zinc/10/39/31/315103931.db2.gz HWRCMMSBBLPDCJ-HRCADAONSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCNC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496542144 315103932 /nfs/dbraw/zinc/10/39/32/315103932.db2.gz HWRCMMSBBLPDCJ-HRCADAONSA-N 1 3 325.497 2.754 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc3c(c2)CNCC3)C1 ZINC000496548031 315106439 /nfs/dbraw/zinc/10/64/39/315106439.db2.gz GVHBTQHSVMRRBQ-QAPCUYQASA-N 1 3 345.487 2.679 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577096 315117346 /nfs/dbraw/zinc/11/73/46/315117346.db2.gz HAGWCHISBFIYHO-YHUYYLMFSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496577096 315117349 /nfs/dbraw/zinc/11/73/49/315117349.db2.gz HAGWCHISBFIYHO-YHUYYLMFSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496715001 315168706 /nfs/dbraw/zinc/16/87/06/315168706.db2.gz BUIBLXWSZSMDIP-CRAIPNDOSA-N 1 3 325.497 2.563 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496741621 315178162 /nfs/dbraw/zinc/17/81/62/315178162.db2.gz QTZIMGRWPOYBDE-VVLHAWIVSA-N 1 3 325.497 2.658 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752958 315182482 /nfs/dbraw/zinc/18/24/82/315182482.db2.gz AKZJSJYKJRNTMW-BZUAXINKSA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752958 315182484 /nfs/dbraw/zinc/18/24/84/315182484.db2.gz AKZJSJYKJRNTMW-BZUAXINKSA-N 1 3 327.513 2.998 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496783016 315194781 /nfs/dbraw/zinc/19/47/81/315194781.db2.gz CNVMBGFEIJNKJM-YESZJQIVSA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496783016 315194783 /nfs/dbraw/zinc/19/47/83/315194783.db2.gz CNVMBGFEIJNKJM-YESZJQIVSA-N 1 3 337.508 2.802 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000496812008 315205117 /nfs/dbraw/zinc/20/51/17/315205117.db2.gz WFJMUOLGDYCURP-HOTGVXAUSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000496812008 315205121 /nfs/dbraw/zinc/20/51/21/315205121.db2.gz WFJMUOLGDYCURP-HOTGVXAUSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000496812008 315205123 /nfs/dbraw/zinc/20/51/23/315205123.db2.gz WFJMUOLGDYCURP-HOTGVXAUSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817824 315207684 /nfs/dbraw/zinc/20/76/84/315207684.db2.gz HHGHUKSAOWIQKC-QQFBHYJXSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817824 315207686 /nfs/dbraw/zinc/20/76/86/315207686.db2.gz HHGHUKSAOWIQKC-QQFBHYJXSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000496817824 315207689 /nfs/dbraw/zinc/20/76/89/315207689.db2.gz HHGHUKSAOWIQKC-QQFBHYJXSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C[NH2+]CCCN2CCCCC2)C1 ZINC000496825404 315209607 /nfs/dbraw/zinc/20/96/07/315209607.db2.gz BAKXYENTTRFQGP-LPHOPBHVSA-N 1 3 337.508 2.709 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825900 315209920 /nfs/dbraw/zinc/20/99/20/315209920.db2.gz CVMAWBCANQWXKK-ZBFHGGJFSA-N 1 3 337.508 2.848 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825900 315209924 /nfs/dbraw/zinc/20/99/24/315209924.db2.gz CVMAWBCANQWXKK-ZBFHGGJFSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)CN(C)C ZINC000496833671 315213161 /nfs/dbraw/zinc/21/31/61/315213161.db2.gz ADESGFZDDNGXPM-OAGGEKHMSA-N 1 3 327.513 2.809 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CCN1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128076 315319813 /nfs/dbraw/zinc/31/98/13/315319813.db2.gz ILKMMZLAMSCYBT-APWZRJJASA-N 1 3 345.487 2.847 20 0 EFADHO C[C@@H]1C[C@@H](N)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128076 315319816 /nfs/dbraw/zinc/31/98/16/315319816.db2.gz ILKMMZLAMSCYBT-APWZRJJASA-N 1 3 345.487 2.847 20 0 EFADHO C[C@@H]1C[C@@H](N)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128076 315319821 /nfs/dbraw/zinc/31/98/21/315319821.db2.gz ILKMMZLAMSCYBT-APWZRJJASA-N 1 3 345.487 2.847 20 0 EFADHO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000497141204 315324781 /nfs/dbraw/zinc/32/47/81/315324781.db2.gz DERTVIJXTNKZRI-SJORKVTESA-N 1 3 325.497 2.852 20 0 EFADHO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000497141204 315324784 /nfs/dbraw/zinc/32/47/84/315324784.db2.gz DERTVIJXTNKZRI-SJORKVTESA-N 1 3 325.497 2.852 20 0 EFADHO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCN1C ZINC000497141202 315324828 /nfs/dbraw/zinc/32/48/28/315324828.db2.gz DERTVIJXTNKZRI-IAGOWNOFSA-N 1 3 325.497 2.852 20 0 EFADHO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CC[C@H]1CCCN1C ZINC000497141202 315324829 /nfs/dbraw/zinc/32/48/29/315324829.db2.gz DERTVIJXTNKZRI-IAGOWNOFSA-N 1 3 325.497 2.852 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2CCC[NH3+])C1 ZINC000497176320 315337906 /nfs/dbraw/zinc/33/79/06/315337906.db2.gz HQZJMEKPXIKKJO-CVEARBPZSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CCCN)C1 ZINC000497176320 315337909 /nfs/dbraw/zinc/33/79/09/315337909.db2.gz HQZJMEKPXIKKJO-CVEARBPZSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2CCCN)C1 ZINC000497176320 315337912 /nfs/dbraw/zinc/33/79/12/315337912.db2.gz HQZJMEKPXIKKJO-CVEARBPZSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497217854 315354557 /nfs/dbraw/zinc/35/45/57/315354557.db2.gz GECUHZVGTNHPLQ-GJYPPUQNSA-N 1 3 337.508 2.563 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000497288996 315380887 /nfs/dbraw/zinc/38/08/87/315380887.db2.gz JANFEKJRMYIKQJ-INIZCTEOSA-N 1 3 337.508 2.946 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000502159568 315432256 /nfs/dbraw/zinc/43/22/56/315432256.db2.gz YOWRKLSSDSSDAT-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@]1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CCC[NH2+]C1 ZINC000514590191 315542165 /nfs/dbraw/zinc/54/21/65/315542165.db2.gz PLVPVEGVGDGGJU-QUCCMNQESA-N 1 3 344.503 2.512 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000517098819 315738378 /nfs/dbraw/zinc/73/83/78/315738378.db2.gz SWIUXYVRNJXNNF-MOPGFXCFSA-N 1 3 344.503 2.511 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000517340603 315755860 /nfs/dbraw/zinc/75/58/60/315755860.db2.gz UUHGVMSQYVVUMP-GOSISDBHSA-N 1 3 334.508 2.539 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H]3CCC[C@H]([NH3+])C3)c2)n1 ZINC000517391408 315760764 /nfs/dbraw/zinc/76/07/64/315760764.db2.gz RMDDVPDLJRYAJF-LSDHHAIUSA-N 1 3 345.468 2.956 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000518631731 315821971 /nfs/dbraw/zinc/82/19/71/315821971.db2.gz LBXYUXMOSHPQKM-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000519157868 315847833 /nfs/dbraw/zinc/84/78/33/315847833.db2.gz NDMPZMKDHOZRNY-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@]1(NC(=O)C2CC[NH+](C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000521444085 316024964 /nfs/dbraw/zinc/02/49/64/316024964.db2.gz NOZXTNSCILLWIQ-NRFANRHFSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000521751976 316041390 /nfs/dbraw/zinc/04/13/90/316041390.db2.gz IJFFQLVNJLOSMC-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 ZINC000521751976 316041391 /nfs/dbraw/zinc/04/13/91/316041391.db2.gz IJFFQLVNJLOSMC-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO COc1cccc([C@@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)c1 ZINC000521921763 316052552 /nfs/dbraw/zinc/05/25/52/316052552.db2.gz OUPIVHWHGDGZLU-LJQANCHMSA-N 1 3 347.503 2.680 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccnc3ccccc23)CC1 ZINC000521983215 316058622 /nfs/dbraw/zinc/05/86/22/316058622.db2.gz IAQSPIAVYWRZKJ-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO C[C@H]1CCCC[C@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522109211 316071194 /nfs/dbraw/zinc/07/11/94/316071194.db2.gz VUKPZDSBWLYRHU-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[C@@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522109210 316071287 /nfs/dbraw/zinc/07/12/87/316071287.db2.gz VUKPZDSBWLYRHU-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1)C1CC1 ZINC000522316573 316089029 /nfs/dbraw/zinc/08/90/29/316089029.db2.gz UKGQHGCWUWYCDU-INIZCTEOSA-N 1 3 329.488 2.885 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)N2CCCC2)cc1)C1CC1 ZINC000522316573 316089031 /nfs/dbraw/zinc/08/90/31/316089031.db2.gz UKGQHGCWUWYCDU-INIZCTEOSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)[NH+](CCNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)C(C)C ZINC000522833562 316102481 /nfs/dbraw/zinc/10/24/81/316102481.db2.gz TYHBREUOCXLRMM-LJQANCHMSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000524263694 316151705 /nfs/dbraw/zinc/15/17/05/316151705.db2.gz RYGDEMMKTZXNHD-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000524263694 316151707 /nfs/dbraw/zinc/15/17/07/316151707.db2.gz RYGDEMMKTZXNHD-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000524425752 316157408 /nfs/dbraw/zinc/15/74/08/316157408.db2.gz OWBUCNVHWPCYKE-BHIYHBOVSA-N 1 3 335.536 2.876 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1)C(C)C ZINC000524719924 316168128 /nfs/dbraw/zinc/16/81/28/316168128.db2.gz QLKITNKBLNHNGK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[C@@H](C)C2)cc1)C(C)C ZINC000524719924 316168132 /nfs/dbraw/zinc/16/81/32/316168132.db2.gz QLKITNKBLNHNGK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000524774520 316173045 /nfs/dbraw/zinc/17/30/45/316173045.db2.gz MDQGTWKIEWGOPB-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1 ZINC000524774520 316173048 /nfs/dbraw/zinc/17/30/48/316173048.db2.gz MDQGTWKIEWGOPB-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525437817 316214942 /nfs/dbraw/zinc/21/49/42/316214942.db2.gz BOQCEDIDFBFEAX-ZWKOTPCHSA-N 1 3 340.556 2.726 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCS2 ZINC000527505823 316387408 /nfs/dbraw/zinc/38/74/08/316387408.db2.gz VNBBPGFYCASDEV-GOSISDBHSA-N 1 3 349.544 2.849 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@H]1CC12CC2 ZINC000527864735 316482352 /nfs/dbraw/zinc/48/23/52/316482352.db2.gz DSMBANXUKRNHBB-VQIMIIECSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCN1C1CCCC1 ZINC000530025603 317027783 /nfs/dbraw/zinc/02/77/83/317027783.db2.gz DTFLNPZKOUZDNW-HXUWFJFHSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCN1C1CCCC1 ZINC000530025603 317027788 /nfs/dbraw/zinc/02/77/88/317027788.db2.gz DTFLNPZKOUZDNW-HXUWFJFHSA-N 1 3 341.499 2.568 20 0 EFADHO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(CN)nc2C)OC)c1 ZINC000530211513 317081199 /nfs/dbraw/zinc/08/11/99/317081199.db2.gz NYONXUSTHRKLHT-ORAYPTAESA-N 1 3 329.444 2.896 20 0 EFADHO CO[C@H](CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000530226168 317084954 /nfs/dbraw/zinc/08/49/54/317084954.db2.gz QGLRQYCMXWJDMD-GBESFXJTSA-N 1 3 336.451 2.732 20 0 EFADHO [NH3+]CC1CCC(N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000530225381 317085342 /nfs/dbraw/zinc/08/53/42/317085342.db2.gz YXVLWJHGSYJVNC-ABIUDSBCSA-N 1 3 339.842 2.692 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000530249292 317091401 /nfs/dbraw/zinc/09/14/01/317091401.db2.gz USXLKDSSOSPQRI-KRWDZBQOSA-N 1 3 344.459 2.569 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000530407267 317122197 /nfs/dbraw/zinc/12/21/97/317122197.db2.gz JMXCRXQFGUEVEI-HMXCVIKNSA-N 1 3 338.499 2.853 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2s1 ZINC000530641700 317158720 /nfs/dbraw/zinc/15/87/20/317158720.db2.gz CAONVPIGXYOGHC-UHFFFAOYSA-N 1 3 337.464 2.606 20 0 EFADHO C[N@H+](CCCNC1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000531687936 317300985 /nfs/dbraw/zinc/30/09/85/317300985.db2.gz MLOSMAZYKDIQNS-UHFFFAOYSA-N 1 3 331.508 2.690 20 0 EFADHO C[N@@H+](CCCNC1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000531687936 317300987 /nfs/dbraw/zinc/30/09/87/317300987.db2.gz MLOSMAZYKDIQNS-UHFFFAOYSA-N 1 3 331.508 2.690 20 0 EFADHO CN(CCC[NH2+]C1CCN(c2cnccn2)CC1)C1CCCCC1 ZINC000531687936 317300991 /nfs/dbraw/zinc/30/09/91/317300991.db2.gz MLOSMAZYKDIQNS-UHFFFAOYSA-N 1 3 331.508 2.690 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000531708555 317302779 /nfs/dbraw/zinc/30/27/79/317302779.db2.gz KMTOQNNUTROBRF-HNAYVOBHSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000531708555 317302781 /nfs/dbraw/zinc/30/27/81/317302781.db2.gz KMTOQNNUTROBRF-HNAYVOBHSA-N 1 3 338.455 2.764 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531959419 317336653 /nfs/dbraw/zinc/33/66/53/317336653.db2.gz PDOSPSHRSJLHAL-ROUUACIJSA-N 1 3 333.520 2.928 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(C)CC1)CCC2 ZINC000532449493 317403137 /nfs/dbraw/zinc/40/31/37/317403137.db2.gz GAYJRBWXMKFFQK-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000543712851 317860595 /nfs/dbraw/zinc/86/05/95/317860595.db2.gz NAUNLFPUXKBQEL-PKOBYXMFSA-N 1 3 346.519 2.925 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548362507 318099248 /nfs/dbraw/zinc/09/92/48/318099248.db2.gz QOHFJYCGQSJBME-DLBZAZTESA-N 1 3 346.500 2.606 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000550081687 318187115 /nfs/dbraw/zinc/18/71/15/318187115.db2.gz DYQPGRNJEOCNHE-GUDVDZBRSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000550081687 318187118 /nfs/dbraw/zinc/18/71/18/318187118.db2.gz DYQPGRNJEOCNHE-GUDVDZBRSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000550081688 318187208 /nfs/dbraw/zinc/18/72/08/318187208.db2.gz DYQPGRNJEOCNHE-IPMKNSEASA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000550081688 318187211 /nfs/dbraw/zinc/18/72/11/318187211.db2.gz DYQPGRNJEOCNHE-IPMKNSEASA-N 1 3 343.515 2.916 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551793390 318216448 /nfs/dbraw/zinc/21/64/48/318216448.db2.gz KNXOYGGWLLMKMF-UXHICEINSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551793391 318216473 /nfs/dbraw/zinc/21/64/73/318216473.db2.gz KNXOYGGWLLMKMF-VQTJNVASSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)CCCC[NH+](C)C)c2)CC1 ZINC000551905895 318224290 /nfs/dbraw/zinc/22/42/90/318224290.db2.gz QVNKTONBOMTFEQ-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000551948335 318229006 /nfs/dbraw/zinc/22/90/06/318229006.db2.gz XLPNIWCMRKVQKL-UHFFFAOYSA-N 1 3 331.460 2.570 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000551948335 318229010 /nfs/dbraw/zinc/22/90/10/318229010.db2.gz XLPNIWCMRKVQKL-UHFFFAOYSA-N 1 3 331.460 2.570 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000552098176 318242389 /nfs/dbraw/zinc/24/23/89/318242389.db2.gz XGJCJICJLYADPP-RDJZCZTQSA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000552098176 318242391 /nfs/dbraw/zinc/24/23/91/318242391.db2.gz XGJCJICJLYADPP-RDJZCZTQSA-N 1 3 333.476 2.876 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000552965214 318266934 /nfs/dbraw/zinc/26/69/34/318266934.db2.gz TYPWFHLPZRDUMQ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000552965215 318267016 /nfs/dbraw/zinc/26/70/16/318267016.db2.gz TYPWFHLPZRDUMQ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000553061101 318269507 /nfs/dbraw/zinc/26/95/07/318269507.db2.gz UFIUERDZJWBQEH-KRWDZBQOSA-N 1 3 331.504 2.641 20 0 EFADHO CCc1onc(C)c1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553212295 318274777 /nfs/dbraw/zinc/27/47/77/318274777.db2.gz TYRHHOULKHBQRS-UHFFFAOYSA-N 1 3 348.491 2.680 20 0 EFADHO CC[C@H]1[C@H](C)CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553556972 318286887 /nfs/dbraw/zinc/28/68/87/318286887.db2.gz PZBWPYFYCACQJN-APWZRJJASA-N 1 3 335.536 2.830 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000554481597 318315016 /nfs/dbraw/zinc/31/50/16/318315016.db2.gz XQUGMRVRIVJSIC-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO COC[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(Cl)c1 ZINC000554997015 318342794 /nfs/dbraw/zinc/34/27/94/318342794.db2.gz HLHMJJRDWSYAGB-GOSISDBHSA-N 1 3 339.911 2.645 20 0 EFADHO Cc1ccccc1C[C@H](C)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000556889188 318417662 /nfs/dbraw/zinc/41/76/62/318417662.db2.gz GOAYFRTYXWAFKO-SFHVURJKSA-N 1 3 331.504 2.508 20 0 EFADHO Cc1ccccc1C1CC(NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000556888934 318417759 /nfs/dbraw/zinc/41/77/59/318417759.db2.gz KXMVLFAMEWNXPK-UHFFFAOYSA-N 1 3 343.515 2.823 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C1 ZINC000560979427 318582254 /nfs/dbraw/zinc/58/22/54/318582254.db2.gz OVXBBIXCSZUWCB-IAGOWNOFSA-N 1 3 346.500 2.857 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000562958596 318719697 /nfs/dbraw/zinc/71/96/97/318719697.db2.gz AOMVCPSRVYKMSJ-MTHXSQLBSA-N 1 3 335.536 2.970 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000564844695 318898446 /nfs/dbraw/zinc/89/84/46/318898446.db2.gz LRCOVMOGAOZSNE-UWJYYQICSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)COc1cccc2ccccc21)C1=CCN(C)CC1 ZINC000565771098 319000836 /nfs/dbraw/zinc/00/08/36/319000836.db2.gz XWCCGKFMFLKRCV-LPHOPBHVSA-N 1 3 340.467 2.820 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@@H+](CC(C)C)C2)nc1 ZINC000565887029 319011731 /nfs/dbraw/zinc/01/17/31/319011731.db2.gz CVJUYEQCUBJAJS-KRWDZBQOSA-N 1 3 332.492 2.676 20 0 EFADHO Cc1ccc(NC(=O)CCNC[C@@H]2CCC[N@H+](CC(C)C)C2)nc1 ZINC000565887029 319011732 /nfs/dbraw/zinc/01/17/32/319011732.db2.gz CVJUYEQCUBJAJS-KRWDZBQOSA-N 1 3 332.492 2.676 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3occc3C)CC2)CC1 ZINC000566019991 319024424 /nfs/dbraw/zinc/02/44/24/319024424.db2.gz ZJXUNMPEDOPUAW-UHFFFAOYSA-N 1 3 347.503 2.743 20 0 EFADHO c1ncn(-c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000566091079 319031229 /nfs/dbraw/zinc/03/12/29/319031229.db2.gz LTWGZBIJCBEFTA-GUDVDZBRSA-N 1 3 325.460 2.668 20 0 EFADHO C/C=C/c1ccc(OC[C@@H](O)CNC2CC[NH+](CC)CC2)c(OC)c1 ZINC000566107565 319033227 /nfs/dbraw/zinc/03/32/27/319033227.db2.gz LVVYOJUCOUIWQO-JXTAAOLFSA-N 1 3 348.487 2.542 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2cccs2)C1 ZINC000566116153 319034834 /nfs/dbraw/zinc/03/48/34/319034834.db2.gz UNJNLDWBYCOKKT-IRXDYDNUSA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2cccs2)C1 ZINC000566116153 319034837 /nfs/dbraw/zinc/03/48/37/319034837.db2.gz UNJNLDWBYCOKKT-IRXDYDNUSA-N 1 3 340.533 2.583 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000566116153 319034839 /nfs/dbraw/zinc/03/48/39/319034839.db2.gz UNJNLDWBYCOKKT-IRXDYDNUSA-N 1 3 340.533 2.583 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])N2CCCC2)cc1 ZINC000566194463 319046082 /nfs/dbraw/zinc/04/60/82/319046082.db2.gz XRHLMCHEXQKMEF-NUJGCVRESA-N 1 3 332.492 2.557 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000566294462 319059094 /nfs/dbraw/zinc/05/90/94/319059094.db2.gz FMOYZJOEEBBJES-LJQANCHMSA-N 1 3 344.503 2.679 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+]C(C)C)cc(N2CCN(C(C)C)CC2)c1 ZINC000566618787 319095302 /nfs/dbraw/zinc/09/53/02/319095302.db2.gz GHEDPQWWTHUNGA-UHFFFAOYSA-N 1 3 346.519 2.852 20 0 EFADHO CCc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000566785218 319110235 /nfs/dbraw/zinc/11/02/35/319110235.db2.gz HPJYORVAPLMUSP-OAHLLOKOSA-N 1 3 339.443 2.883 20 0 EFADHO C[C@@H]1[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@H]1c1ccccc1 ZINC000566909940 319121230 /nfs/dbraw/zinc/12/12/30/319121230.db2.gz SYOSXIHGOJNPMG-IAOVAPTHSA-N 1 3 325.460 2.554 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)CN2CCC(C)(C)C2)[NH+](C)C)cc1 ZINC000566982259 319128280 /nfs/dbraw/zinc/12/82/80/319128280.db2.gz DINIBJKLZNSXQH-QGZVFWFLSA-N 1 3 349.544 2.859 20 0 EFADHO C[C@H]1CN(C(=O)Nc2cccc3c2CCNC3)CC[N@@H+](C2CCC2)C1 ZINC000567094508 319137524 /nfs/dbraw/zinc/13/75/24/319137524.db2.gz CJNVGGCCDCRFHG-OAHLLOKOSA-N 1 3 342.487 2.670 20 0 EFADHO C[C@H]1CN(C(=O)Nc2cccc3c2CCNC3)CC[N@H+](C2CCC2)C1 ZINC000567094508 319137527 /nfs/dbraw/zinc/13/75/27/319137527.db2.gz CJNVGGCCDCRFHG-OAHLLOKOSA-N 1 3 342.487 2.670 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000567112951 319140291 /nfs/dbraw/zinc/14/02/91/319140291.db2.gz MCGUCTRTZKPHEA-YLJYHZDGSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](O)CNCc1ccccc1OCC[NH+](C)C ZINC000567228081 319151343 /nfs/dbraw/zinc/15/13/43/319151343.db2.gz FJVZJASCCTYIKA-FXAWDEMLSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1Cl)CN1CCCCC1 ZINC000567261782 319155457 /nfs/dbraw/zinc/15/54/57/319155457.db2.gz MPPFGIZKTMDVIU-JKSUJKDBSA-N 1 3 340.895 2.791 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567345347 319162644 /nfs/dbraw/zinc/16/26/44/319162644.db2.gz DQYMQBCKJGPTQZ-IEBWSBKVSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000567647693 319192444 /nfs/dbraw/zinc/19/24/44/319192444.db2.gz LDEWGDAZNLBDGU-DOMZBBRYSA-N 1 3 334.851 2.910 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000567648452 319192516 /nfs/dbraw/zinc/19/25/16/319192516.db2.gz YUROMULYKOMWRI-WFASDCNBSA-N 1 3 334.851 2.910 20 0 EFADHO C[C@@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)[C@@H]1C[C@H]1c1ccccc1 ZINC000567674360 319195225 /nfs/dbraw/zinc/19/52/25/319195225.db2.gz JLGUHMFLGPHPIF-COXVUDFISA-N 1 3 325.460 2.554 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680813 319196109 /nfs/dbraw/zinc/19/61/09/319196109.db2.gz GAAHFHVHNLGJFS-SJLPKXTDSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680813 319196112 /nfs/dbraw/zinc/19/61/12/319196112.db2.gz GAAHFHVHNLGJFS-SJLPKXTDSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000567680813 319196113 /nfs/dbraw/zinc/19/61/13/319196113.db2.gz GAAHFHVHNLGJFS-SJLPKXTDSA-N 1 3 340.895 2.539 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000567845399 319216840 /nfs/dbraw/zinc/21/68/40/319216840.db2.gz WTBUCTFYEFMJIN-KVSKMBFKSA-N 1 3 347.478 2.671 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3CCCCC[NH2+]3)c2)CC1 ZINC000567909723 319225024 /nfs/dbraw/zinc/22/50/24/319225024.db2.gz PUSIDMHVOVOHAO-LJQANCHMSA-N 1 3 344.503 2.688 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)c3cnccc3C)CC2)CC1 ZINC000568207901 319258999 /nfs/dbraw/zinc/25/89/99/319258999.db2.gz ROGSTVOHQKNNJH-UHFFFAOYSA-N 1 3 344.503 2.549 20 0 EFADHO CN(CCNC(=O)c1ccc(CC[NH+](C)C)cc1)Cc1ccccc1 ZINC000568793038 319319134 /nfs/dbraw/zinc/31/91/34/319319134.db2.gz XOAKIYDGHLNNTD-UHFFFAOYSA-N 1 3 339.483 2.653 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000568847590 319323657 /nfs/dbraw/zinc/32/36/57/319323657.db2.gz QLCBYQQWVPCXSK-BHIYHBOVSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000568847593 319323668 /nfs/dbraw/zinc/32/36/68/319323668.db2.gz QLCBYQQWVPCXSK-UHOSZYNNSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568882178 319328138 /nfs/dbraw/zinc/32/81/38/319328138.db2.gz WFWRAFLEIPEWGI-MNOVXSKESA-N 1 3 337.773 2.992 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000568920955 319330600 /nfs/dbraw/zinc/33/06/00/319330600.db2.gz QRWIDOWEFDAJFT-GVDBMIGSSA-N 1 3 348.491 2.589 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000568920956 319330672 /nfs/dbraw/zinc/33/06/72/319330672.db2.gz QRWIDOWEFDAJFT-ULQDDVLXSA-N 1 3 348.491 2.589 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1ccco1 ZINC000568920957 319330681 /nfs/dbraw/zinc/33/06/81/319330681.db2.gz QRWIDOWEFDAJFT-YESZJQIVSA-N 1 3 348.491 2.589 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000568972727 319335576 /nfs/dbraw/zinc/33/55/76/319335576.db2.gz PXGPVCNUDWWKMP-UHFFFAOYSA-N 1 3 342.487 2.861 20 0 EFADHO [NH3+]CCc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000569113740 319349772 /nfs/dbraw/zinc/34/97/72/319349772.db2.gz UKXMFESLUVKWNO-KRWDZBQOSA-N 1 3 343.496 2.816 20 0 EFADHO O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000569376199 319375723 /nfs/dbraw/zinc/37/57/23/319375723.db2.gz QSTQHUFGQKRHHZ-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000569376199 319375724 /nfs/dbraw/zinc/37/57/24/319375724.db2.gz QSTQHUFGQKRHHZ-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CCOc1ccc(CN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1OC ZINC000570782430 319511926 /nfs/dbraw/zinc/51/19/26/319511926.db2.gz PDZHHBMHQVLKND-MJGOQNOKSA-N 1 3 348.487 2.812 20 0 EFADHO CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)C(=O)N1CCc2sccc2C1 ZINC000571061036 319539263 /nfs/dbraw/zinc/53/92/63/319539263.db2.gz MXKBYSMOUIUGHZ-PMPSAXMXSA-N 1 3 335.517 2.661 20 0 EFADHO FC(F)(F)c1cc(C[NH2+]CC2CCN(c3ccncc3)CC2)[nH]n1 ZINC000571862021 319612907 /nfs/dbraw/zinc/61/29/07/319612907.db2.gz AZGBJLXLVZDISM-UHFFFAOYSA-N 1 3 339.365 2.830 20 0 EFADHO NC[C@@H](NC(=O)N1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000571929319 319620131 /nfs/dbraw/zinc/62/01/31/319620131.db2.gz JLDUWTDEDZGOET-LJQANCHMSA-N 1 3 340.471 2.610 20 0 EFADHO C[C@H](NC[C@@H](CO)Cc1c(F)cccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000571991975 319625940 /nfs/dbraw/zinc/62/59/40/319625940.db2.gz GJKXPVYOZBZZIV-IHRRRGAJSA-N 1 3 328.859 2.608 20 0 EFADHO Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c(OCCN(C)C)c1 ZINC000572124081 319639901 /nfs/dbraw/zinc/63/99/01/319639901.db2.gz HWESPFQYHNWMQE-CVEARBPZSA-N 1 3 333.476 2.782 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000573088788 319732760 /nfs/dbraw/zinc/73/27/60/319732760.db2.gz YIPFWYGRWORMRM-WOJBJXKFSA-N 1 3 340.471 2.591 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCCCN3)cc21 ZINC000573850589 319804809 /nfs/dbraw/zinc/80/48/09/319804809.db2.gz VGECVWMVPBWPRO-KRWDZBQOSA-N 1 3 328.460 2.674 20 0 EFADHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000574269056 319846453 /nfs/dbraw/zinc/84/64/53/319846453.db2.gz ADEIBSHDXBWSJS-HNNXBMFYSA-N 1 3 348.512 2.973 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000574384958 319857299 /nfs/dbraw/zinc/85/72/99/319857299.db2.gz KWIUEYFXANZINM-UHFFFAOYSA-N 1 3 346.519 2.860 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000574868798 319901399 /nfs/dbraw/zinc/90/13/99/319901399.db2.gz RVAASOUMFITTMC-SLFFLAALSA-N 1 3 339.487 2.727 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(COCc2ccco2)c1 ZINC000575373011 319942557 /nfs/dbraw/zinc/94/25/57/319942557.db2.gz VGHVEIVECDKLOG-RYGJVYDSSA-N 1 3 344.455 2.838 20 0 EFADHO CC(C)c1nc(CNCCN2CC[N@H+](C)C(C)(C)C2)c2ccccn21 ZINC000576588994 320030523 /nfs/dbraw/zinc/03/05/23/320030523.db2.gz KPLVKCBZBQTWBF-UHFFFAOYSA-N 1 3 343.519 2.573 20 0 EFADHO CC(C)c1nc(CNCCN2CC[N@@H+](C)C(C)(C)C2)c2ccccn21 ZINC000576588994 320030526 /nfs/dbraw/zinc/03/05/26/320030526.db2.gz KPLVKCBZBQTWBF-UHFFFAOYSA-N 1 3 343.519 2.573 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000576607204 320032365 /nfs/dbraw/zinc/03/23/65/320032365.db2.gz MQRYLEACFQZYLA-LJQANCHMSA-N 1 3 341.499 2.806 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)N2CCCC2)cc1 ZINC000577163646 320082776 /nfs/dbraw/zinc/08/27/76/320082776.db2.gz HLSJFVLDTNOQDK-UHOSZYNNSA-N 1 3 344.503 2.572 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000577662143 320131643 /nfs/dbraw/zinc/13/16/43/320131643.db2.gz NRNKOCONIGIWFX-MJGOQNOKSA-N 1 3 346.471 2.545 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 ZINC000577662143 320131644 /nfs/dbraw/zinc/13/16/44/320131644.db2.gz NRNKOCONIGIWFX-MJGOQNOKSA-N 1 3 346.471 2.545 20 0 EFADHO NC1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000577720392 320137526 /nfs/dbraw/zinc/13/75/26/320137526.db2.gz XBFNXPHKJJIFIR-UHFFFAOYSA-N 1 3 346.437 2.966 20 0 EFADHO [NH3+]C1(CNC2CCC(O)(C(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000577720392 320137527 /nfs/dbraw/zinc/13/75/27/320137527.db2.gz XBFNXPHKJJIFIR-UHFFFAOYSA-N 1 3 346.437 2.966 20 0 EFADHO FC(F)(F)c1cnc(NCCN[C@@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000577946700 320158749 /nfs/dbraw/zinc/15/87/49/320158749.db2.gz CQKNVMCAYOKWPX-LLVKDONJSA-N 1 3 336.789 2.897 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@H](O)COc1ccccc1F)C(C)(C)C ZINC000578006744 320164128 /nfs/dbraw/zinc/16/41/28/320164128.db2.gz REYFMKYJYJCMDC-WMLDXEAASA-N 1 3 326.456 2.521 20 0 EFADHO Cn1cncc1CCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000578023186 320166169 /nfs/dbraw/zinc/16/61/69/320166169.db2.gz SFBVYPBHHKSLPQ-UHFFFAOYSA-N 1 3 335.455 2.723 20 0 EFADHO Clc1cnn2cc(CCN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cnc12 ZINC000578637820 320225099 /nfs/dbraw/zinc/22/50/99/320225099.db2.gz ODWGLNAQBJZUJF-DJIMGWMZSA-N 1 3 347.894 2.826 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000578741740 320234862 /nfs/dbraw/zinc/23/48/62/320234862.db2.gz ZODUVYIAWZJEIL-WDSOQIARSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000578741738 320234944 /nfs/dbraw/zinc/23/49/44/320234944.db2.gz ZODUVYIAWZJEIL-QXAKKESOSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000578741739 320235095 /nfs/dbraw/zinc/23/50/95/320235095.db2.gz ZODUVYIAWZJEIL-UHOSZYNNSA-N 1 3 344.503 2.735 20 0 EFADHO CCC(CC)Nc1ccncc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578785138 320239525 /nfs/dbraw/zinc/23/95/25/320239525.db2.gz CZXOOWUOEVCIBR-UHFFFAOYSA-N 1 3 330.476 2.917 20 0 EFADHO CCc1[nH+]c2ccccc2c(NC[C@@H](C)N2CCN(CC)CC2)c1C ZINC000578803557 320240876 /nfs/dbraw/zinc/24/08/76/320240876.db2.gz DQLRANPNEJXVJR-MRXNPFEDSA-N 1 3 340.515 2.965 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181493819 323236478 /nfs/dbraw/zinc/23/64/78/323236478.db2.gz HOXZUGUPYSJRPF-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000181493123 323236533 /nfs/dbraw/zinc/23/65/33/323236533.db2.gz VBGHJJCXOHTRKU-MOPGFXCFSA-N 1 3 339.568 2.833 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(CC)CC2)C1(CC)CC ZINC000181491561 323236625 /nfs/dbraw/zinc/23/66/25/323236625.db2.gz TWCXFSNEBWPMEL-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCCCC[NH+]1CCN(c2ccccc2)CC1)c1nccn1C ZINC000182623101 323292472 /nfs/dbraw/zinc/29/24/72/323292472.db2.gz FNRHSCFIFJEFRA-SFHVURJKSA-N 1 3 341.503 2.673 20 0 EFADHO C[C@H](CCNC(=O)N1CCN(C2CCCC2)CC1)[NH+]1CCCCC1 ZINC000182695585 323296643 /nfs/dbraw/zinc/29/66/43/323296643.db2.gz ZFABEMGEXVODDJ-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000183567340 323341866 /nfs/dbraw/zinc/34/18/66/323341866.db2.gz RZXYGRASSUCXKP-CTNGQTDRSA-N 1 3 345.531 2.554 20 0 EFADHO C[C@@H](CCNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000184945396 323378189 /nfs/dbraw/zinc/37/81/89/323378189.db2.gz ZQIKATFZDWRQQM-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000579232187 323913808 /nfs/dbraw/zinc/91/38/08/323913808.db2.gz LYGSIUASATWFIZ-ROUUACIJSA-N 1 3 331.504 2.964 20 0 EFADHO COCC[N@H+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000579727707 324021557 /nfs/dbraw/zinc/02/15/57/324021557.db2.gz VGRIWRBTHDWOAC-IRXDYDNUSA-N 1 3 328.884 2.566 20 0 EFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000579727707 324021560 /nfs/dbraw/zinc/02/15/60/324021560.db2.gz VGRIWRBTHDWOAC-IRXDYDNUSA-N 1 3 328.884 2.566 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000580567491 324191000 /nfs/dbraw/zinc/19/10/00/324191000.db2.gz AZKSXYNJFZPKBZ-GOSISDBHSA-N 1 3 347.503 2.606 20 0 EFADHO c1ccc(C[C@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000580769165 324231350 /nfs/dbraw/zinc/23/13/50/324231350.db2.gz UZYFWANYDQESQA-SJLPKXTDSA-N 1 3 339.487 2.773 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000580772080 324232355 /nfs/dbraw/zinc/23/23/55/324232355.db2.gz UEJNQKUNBCTOKS-LZLYRXPVSA-N 1 3 349.544 2.984 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@H]3C[C@H](N)c4ccccc43)CC2)nc(C)n1 ZINC000581005693 324285343 /nfs/dbraw/zinc/28/53/43/324285343.db2.gz ALCADDBZUGDOJO-OALUTQOASA-N 1 3 337.471 2.797 20 0 EFADHO Cc1cc(N2CCC(N[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)nc(C)n1 ZINC000581005693 324285349 /nfs/dbraw/zinc/28/53/49/324285349.db2.gz ALCADDBZUGDOJO-OALUTQOASA-N 1 3 337.471 2.797 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000581126434 324310406 /nfs/dbraw/zinc/31/04/06/324310406.db2.gz LSBXJGLVCXIDML-HOTGVXAUSA-N 1 3 340.895 2.710 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)C[NH+]1CCCCC1 ZINC000582834188 324680769 /nfs/dbraw/zinc/68/07/69/324680769.db2.gz STOIUOQWSBEPLW-HNNXBMFYSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000582903506 324696174 /nfs/dbraw/zinc/69/61/74/324696174.db2.gz DIEPUQIKPKASJR-UONOGXRCSA-N 1 3 340.899 2.539 20 0 EFADHO CN(C)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000042910130 472181688 /nfs/dbraw/zinc/18/16/88/472181688.db2.gz FMLVWBRRXISRJZ-QGZVFWFLSA-N 1 3 346.519 2.898 20 0 EFADHO C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)N1CCCC[C@@H]1C ZINC000042909518 472181730 /nfs/dbraw/zinc/18/17/30/472181730.db2.gz YJVYWOBPZGHZTR-GJZGRUSLSA-N 1 3 338.540 2.858 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000155641768 472587525 /nfs/dbraw/zinc/58/75/25/472587525.db2.gz FBVYOQFFZLFTEJ-QWHCGFSZSA-N 1 3 329.410 2.781 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000124081420 473210327 /nfs/dbraw/zinc/21/03/27/473210327.db2.gz JKMMCVFIOANENM-IBGZPJMESA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000111862725 473232253 /nfs/dbraw/zinc/23/22/53/473232253.db2.gz FOULADSYIVDEEI-SJORKVTESA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCN(C)C2)C1 ZINC000111862725 473232257 /nfs/dbraw/zinc/23/22/57/473232257.db2.gz FOULADSYIVDEEI-SJORKVTESA-N 1 3 338.540 2.528 20 0 EFADHO COc1cc([C@H](C)[NH2+]C[C@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000124354044 473236600 /nfs/dbraw/zinc/23/66/00/473236600.db2.gz HGRAIUPETHGNRG-UONOGXRCSA-N 1 3 334.460 2.847 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575635 473267919 /nfs/dbraw/zinc/26/79/19/473267919.db2.gz PQDPXAZUFIDHHH-UGNRZPKXSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575635 473267927 /nfs/dbraw/zinc/26/79/27/473267927.db2.gz PQDPXAZUFIDHHH-UGNRZPKXSA-N 1 3 345.531 2.868 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000124575635 473267930 /nfs/dbraw/zinc/26/79/30/473267930.db2.gz PQDPXAZUFIDHHH-UGNRZPKXSA-N 1 3 345.531 2.868 20 0 EFADHO CC[NH+](CC)CC1CCN(CCOc2cccc(C(=O)OC)c2)CC1 ZINC000142824361 473268523 /nfs/dbraw/zinc/26/85/23/473268523.db2.gz SDXVOYSNIDJNIX-UHFFFAOYSA-N 1 3 348.487 2.906 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000190504029 473299037 /nfs/dbraw/zinc/29/90/37/473299037.db2.gz NTZMYOKHTYXBAV-QKLQHJQFSA-N 1 3 338.536 2.749 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCN1CCCC1 ZINC000112741352 473307354 /nfs/dbraw/zinc/30/73/54/473307354.db2.gz VKMGMPGDUZBFAX-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000171169714 473308169 /nfs/dbraw/zinc/30/81/69/473308169.db2.gz FUPVYLHDUVRBGQ-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000112746512 473308795 /nfs/dbraw/zinc/30/87/95/473308795.db2.gz ZUQSULBGOYSLOK-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112750393 473309958 /nfs/dbraw/zinc/30/99/58/473309958.db2.gz PIMIUEFRNRHGDL-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCC2)C1 ZINC000112750393 473309967 /nfs/dbraw/zinc/30/99/67/473309967.db2.gz PIMIUEFRNRHGDL-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]C3CCN(C)CC3)CC2)c1 ZINC000177200552 473330294 /nfs/dbraw/zinc/33/02/94/473330294.db2.gz QRRAUVLVUHVSLE-UHFFFAOYSA-N 1 3 344.547 2.581 20 0 EFADHO CC1(C[NH2+][C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OCCCO1 ZINC000190658610 473350857 /nfs/dbraw/zinc/35/08/57/473350857.db2.gz GBQAEERZWLMFES-QYZOEREBSA-N 1 3 330.472 2.640 20 0 EFADHO CC(C)CCOCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171304041 473358204 /nfs/dbraw/zinc/35/82/04/473358204.db2.gz BFWXZHBLUMIFRY-ROUUACIJSA-N 1 3 326.525 2.870 20 0 EFADHO CN(C)CCN(C(=O)NCC1(C[NH+](C)C)CCCC1)C1CCCC1 ZINC000185192575 473357608 /nfs/dbraw/zinc/35/76/08/473357608.db2.gz BWFXPVZHNHUVEX-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](c1ccc(F)cc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381440 473368556 /nfs/dbraw/zinc/36/85/56/473368556.db2.gz LKSNGZMOPOWGIB-CQSZACIVSA-N 1 3 325.447 2.984 20 0 EFADHO C[C@@H](c1ccc(F)cc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177381426 473368903 /nfs/dbraw/zinc/36/89/03/473368903.db2.gz LKSNGZMOPOWGIB-AWEZNQCLSA-N 1 3 325.447 2.984 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCCN3CCCCC3)C2)nc1 ZINC000125237885 473379860 /nfs/dbraw/zinc/37/98/60/473379860.db2.gz HQKFLBWBMKQRIP-SFHVURJKSA-N 1 3 344.503 2.917 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCCN3CCCCC3)C2)nc1 ZINC000125237885 473379864 /nfs/dbraw/zinc/37/98/64/473379864.db2.gz HQKFLBWBMKQRIP-SFHVURJKSA-N 1 3 344.503 2.917 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC[C@@H]3CCCN3C)C2)nc1 ZINC000125236399 473380073 /nfs/dbraw/zinc/38/00/73/473380073.db2.gz IKHQDPARZUQSKS-IRXDYDNUSA-N 1 3 330.476 2.525 20 0 EFADHO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC[C@@H]3CCCN3C)C2)nc1 ZINC000125236399 473380079 /nfs/dbraw/zinc/38/00/79/473380079.db2.gz IKHQDPARZUQSKS-IRXDYDNUSA-N 1 3 330.476 2.525 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000177505709 473390727 /nfs/dbraw/zinc/39/07/27/473390727.db2.gz VYBCUEABAJUBKH-OPYAIIAOSA-N 1 3 346.515 2.931 20 0 EFADHO C[N@@H+]1CC[C@@H](NCCC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340188858 475841147 /nfs/dbraw/zinc/84/11/47/475841147.db2.gz QLOLYLDCOKBHBO-RTBURBONSA-N 1 3 329.488 2.814 20 0 EFADHO C[N@H+]1CC[C@@H](NCCC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340188858 475841153 /nfs/dbraw/zinc/84/11/53/475841153.db2.gz QLOLYLDCOKBHBO-RTBURBONSA-N 1 3 329.488 2.814 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)N1CCc2ccccc2C1 ZINC000358698663 475868691 /nfs/dbraw/zinc/86/86/91/475868691.db2.gz WSRMRWVCKPCEHU-KPFFTGBYSA-N 1 3 343.515 2.574 20 0 EFADHO CSCC[C@H](NC1CCC(C[NH3+])CC1)c1nnc2ccccn21 ZINC000422799244 476781865 /nfs/dbraw/zinc/78/18/65/476781865.db2.gz VWGLUMBWZMKHJK-NRXISQOPSA-N 1 3 333.505 2.631 20 0 EFADHO c1ccc(NCCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422835213 476801007 /nfs/dbraw/zinc/80/10/07/476801007.db2.gz PBNQUSDLNLUOHK-FXAWDEMLSA-N 1 3 338.455 2.729 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000395551864 476843279 /nfs/dbraw/zinc/84/32/79/476843279.db2.gz ARGOVXCJUKROEG-SFHVURJKSA-N 1 3 331.504 2.791 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000395711172 476843701 /nfs/dbraw/zinc/84/37/01/476843701.db2.gz GQLBNLFTKQEPRT-QGZVFWFLSA-N 1 3 340.895 2.680 20 0 EFADHO C[C@]1(c2nc(-c3cccc(CN4CCCCC4)c3)no2)CC[NH2+]C1 ZINC000435726407 477359270 /nfs/dbraw/zinc/35/92/70/477359270.db2.gz PHUNQVUURMXDFC-IBGZPJMESA-N 1 3 326.444 2.974 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@@H]3CCCC[C@H]3[NH3+])n2)cc1F ZINC000424338191 477374040 /nfs/dbraw/zinc/37/40/40/477374040.db2.gz UBKCQDOSHDPLTM-HZPDHXFCSA-N 1 3 332.423 2.976 20 0 EFADHO C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335111 477374065 /nfs/dbraw/zinc/37/40/65/477374065.db2.gz OMSPZLPQGDPBIJ-FVQBIDKESA-N 1 3 329.444 2.812 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)C2CC2)CC1 ZINC000371640112 477421669 /nfs/dbraw/zinc/42/16/69/477421669.db2.gz GELZXXGUHANEPR-INIZCTEOSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000628425727 479898818 /nfs/dbraw/zinc/89/88/18/479898818.db2.gz TVXDWHBVKIKENB-DLBZAZTESA-N 1 3 347.503 2.655 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000622069811 479902152 /nfs/dbraw/zinc/90/21/52/479902152.db2.gz MVGFMWNKTFOELH-SFHVURJKSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000622069811 479902159 /nfs/dbraw/zinc/90/21/59/479902159.db2.gz MVGFMWNKTFOELH-SFHVURJKSA-N 1 3 346.519 2.805 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893748 479908959 /nfs/dbraw/zinc/90/89/59/479908959.db2.gz KMONUBFJAKMECO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893748 479908962 /nfs/dbraw/zinc/90/89/62/479908962.db2.gz KMONUBFJAKMECO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000619904694 479916410 /nfs/dbraw/zinc/91/64/10/479916410.db2.gz MYIOITIRUNULDJ-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000619904694 479916418 /nfs/dbraw/zinc/91/64/18/479916418.db2.gz MYIOITIRUNULDJ-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000619903473 479917780 /nfs/dbraw/zinc/91/77/80/479917780.db2.gz CCKMTCZLABUOBZ-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C1 ZINC000619903473 479917787 /nfs/dbraw/zinc/91/77/87/479917787.db2.gz CCKMTCZLABUOBZ-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000613261142 479942268 /nfs/dbraw/zinc/94/22/68/479942268.db2.gz KVKFTYKBXUVVOU-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCC[C@@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000631195937 479953139 /nfs/dbraw/zinc/95/31/39/479953139.db2.gz FJOOBEVDWXSTKT-SFHVURJKSA-N 1 3 333.520 2.858 20 0 EFADHO COC1(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000631197315 479954394 /nfs/dbraw/zinc/95/43/94/479954394.db2.gz YSJRQBISFYRTSB-PKOBYXMFSA-N 1 3 332.488 2.540 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2OCCCO3)C[C@@H](C)O1 ZINC000067452608 472035670 /nfs/dbraw/zinc/03/56/70/472035670.db2.gz XUPIHFYPWNQHOH-IAGOWNOFSA-N 1 3 348.487 2.827 20 0 EFADHO CC(C)[NH+](CCNC(=O)NCCN(C)Cc1ccccc1)C(C)C ZINC000054762700 472113299 /nfs/dbraw/zinc/11/32/99/472113299.db2.gz KITJRXCUNFUWOA-UHFFFAOYSA-N 1 3 334.508 2.536 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+]1CCCC1 ZINC000068179602 472144547 /nfs/dbraw/zinc/14/45/47/472144547.db2.gz HDQIHUVDPDZIPB-KRWDZBQOSA-N 1 3 329.488 2.744 20 0 EFADHO Cc1ccc([C@H](O)C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000075684765 472182277 /nfs/dbraw/zinc/18/22/77/472182277.db2.gz GREGKTPRRGMWDH-LVCYWYKZSA-N 1 3 346.515 2.850 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000068598277 472217084 /nfs/dbraw/zinc/21/70/84/472217084.db2.gz MRRBSGBFJYYZGM-LSDHHAIUSA-N 1 3 338.521 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000085395397 472243343 /nfs/dbraw/zinc/24/33/43/472243343.db2.gz RIMKKTNWEAXRFL-WDSOQIARSA-N 1 3 346.519 2.579 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000085395397 472243348 /nfs/dbraw/zinc/24/33/48/472243348.db2.gz RIMKKTNWEAXRFL-WDSOQIARSA-N 1 3 346.519 2.579 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625594070 479980875 /nfs/dbraw/zinc/98/08/75/479980875.db2.gz OUUZIJHIWNAKIP-HSALFYBXSA-N 1 3 343.515 2.713 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000625594070 479980880 /nfs/dbraw/zinc/98/08/80/479980880.db2.gz OUUZIJHIWNAKIP-HSALFYBXSA-N 1 3 343.515 2.713 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc2C1)N1CCC(CC[NH+](C)C)CC1 ZINC000056523930 472331825 /nfs/dbraw/zinc/33/18/25/472331825.db2.gz DFXWDUSRCJWSMR-QGZVFWFLSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H](CNC(=O)[C@@H](C)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000056523899 472332575 /nfs/dbraw/zinc/33/25/75/472332575.db2.gz NXHQYMVECWMQHR-ZWKOTPCHSA-N 1 3 345.531 2.959 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1C(F)(F)F ZINC000069415125 472336809 /nfs/dbraw/zinc/33/68/09/472336809.db2.gz UZOHRRUITFLKLD-UHFFFAOYSA-N 1 3 346.397 2.663 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000069451969 472346684 /nfs/dbraw/zinc/34/66/84/472346684.db2.gz SRBYODDMNUKZRQ-ZWOKBUDYSA-N 1 3 332.488 2.541 20 0 EFADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000056785693 472352012 /nfs/dbraw/zinc/35/20/12/472352012.db2.gz WDWDUYDYECHAGP-LSDHHAIUSA-N 1 3 338.540 2.715 20 0 EFADHO CCN(CC)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000076573166 472369804 /nfs/dbraw/zinc/36/98/04/472369804.db2.gz IIQOMHBRXKFISD-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCN(CC)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000076573166 472369807 /nfs/dbraw/zinc/36/98/07/472369807.db2.gz IIQOMHBRXKFISD-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCCn2ccnc2C)CC1 ZINC000088684413 472379732 /nfs/dbraw/zinc/37/97/32/472379732.db2.gz UQECGBZCVGEGHT-UHFFFAOYSA-N 1 3 341.503 2.513 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(O)CCCCC2)CC1 ZINC000088697268 472380346 /nfs/dbraw/zinc/38/03/46/472380346.db2.gz YIFLRSRIZQXTPR-UHFFFAOYSA-N 1 3 331.504 2.613 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000057171978 472390179 /nfs/dbraw/zinc/39/01/79/472390179.db2.gz PATYXRJDJULZSN-UYAOXDASSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000057171978 472390186 /nfs/dbraw/zinc/39/01/86/472390186.db2.gz PATYXRJDJULZSN-UYAOXDASSA-N 1 3 343.515 2.747 20 0 EFADHO Cn1ncc2c1CCC[C@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215741 472393020 /nfs/dbraw/zinc/39/30/20/472393020.db2.gz NTWRCQRCPJDVIX-GOSISDBHSA-N 1 3 325.460 2.699 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2O1 ZINC000076763665 472399035 /nfs/dbraw/zinc/39/90/35/472399035.db2.gz WQMPYKHQGLHFFC-QGZVFWFLSA-N 1 3 344.499 2.991 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CCCC2)CC1)C(C)(C)C ZINC000116566850 472419738 /nfs/dbraw/zinc/41/97/38/472419738.db2.gz GWNYCBQIADJUBI-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3ccccn3)CC2)cc1 ZINC000069748057 472419917 /nfs/dbraw/zinc/41/99/17/472419917.db2.gz MYYUVYVIHWHYRF-UHFFFAOYSA-N 1 3 338.499 2.769 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154359749 472422692 /nfs/dbraw/zinc/42/26/92/472422692.db2.gz YSEHSDUSEAEEQJ-LJQANCHMSA-N 1 3 331.504 2.826 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000154420362 472432241 /nfs/dbraw/zinc/43/22/41/472432241.db2.gz XAWTXWDXFVTJLE-IBGZPJMESA-N 1 3 333.545 2.634 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154625305 472453669 /nfs/dbraw/zinc/45/36/69/472453669.db2.gz JBZBYHQNTPXJTJ-IYBDPMFKSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154625305 472453677 /nfs/dbraw/zinc/45/36/77/472453677.db2.gz JBZBYHQNTPXJTJ-IYBDPMFKSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555893 472458398 /nfs/dbraw/zinc/45/83/98/472458398.db2.gz RTJZPWPLACTYIF-WFASDCNBSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000089555893 472458401 /nfs/dbraw/zinc/45/84/01/472458401.db2.gz RTJZPWPLACTYIF-WFASDCNBSA-N 1 3 334.851 2.862 20 0 EFADHO CC[NH+](CC)CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000633768070 479989025 /nfs/dbraw/zinc/98/90/25/479989025.db2.gz XSYVKEQYNJBMHM-OAHLLOKOSA-N 1 3 345.409 2.766 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000057700821 472463114 /nfs/dbraw/zinc/46/31/14/472463114.db2.gz RDXFTILFUAPIPA-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000057700821 472463115 /nfs/dbraw/zinc/46/31/15/472463115.db2.gz RDXFTILFUAPIPA-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000098092854 472517167 /nfs/dbraw/zinc/51/71/67/472517167.db2.gz RWYLCZJDDXSYEL-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000155556260 472569022 /nfs/dbraw/zinc/56/90/22/472569022.db2.gz QBEPRSXIEXSOKS-YOEHRIQHSA-N 1 3 337.508 2.978 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000077644880 472574708 /nfs/dbraw/zinc/57/47/08/472574708.db2.gz GWIKYZVXYOBWDY-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000102554413 472581661 /nfs/dbraw/zinc/58/16/61/472581661.db2.gz UYYVSGXCWBJYKX-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C(C)C ZINC000102554413 472581665 /nfs/dbraw/zinc/58/16/65/472581665.db2.gz UYYVSGXCWBJYKX-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)C ZINC000102545694 472581695 /nfs/dbraw/zinc/58/16/95/472581695.db2.gz UDATVJVLZKJAJN-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(C)C ZINC000102545694 472581701 /nfs/dbraw/zinc/58/17/01/472581701.db2.gz UDATVJVLZKJAJN-IBGZPJMESA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)c1cccc(OC)c1 ZINC000119897298 472598345 /nfs/dbraw/zinc/59/83/45/472598345.db2.gz ANKXVPQOWWWMJC-UYAOXDASSA-N 1 3 347.503 2.584 20 0 EFADHO CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000077754447 472601879 /nfs/dbraw/zinc/60/18/79/472601879.db2.gz CMOPOSLGLRSEGZ-SFHVURJKSA-N 1 3 334.508 2.581 20 0 EFADHO CCN1CCC(NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000058860828 472608179 /nfs/dbraw/zinc/60/81/79/472608179.db2.gz LHSXFZSCAYNZDA-UHFFFAOYSA-N 1 3 347.503 2.621 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCO[C@@H]3C)CC2)c1 ZINC000120011583 472615471 /nfs/dbraw/zinc/61/54/71/472615471.db2.gz OMOHOAVRIQGLRN-UYAOXDASSA-N 1 3 331.504 2.664 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000077803745 472619340 /nfs/dbraw/zinc/61/93/40/472619340.db2.gz PYRJWZPYVUDDPP-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000077803745 472619345 /nfs/dbraw/zinc/61/93/45/472619345.db2.gz PYRJWZPYVUDDPP-SJORKVTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000077803108 472619407 /nfs/dbraw/zinc/61/94/07/472619407.db2.gz RQECSZGYEPMABL-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000077803108 472619411 /nfs/dbraw/zinc/61/94/11/472619411.db2.gz RQECSZGYEPMABL-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000090526156 472629964 /nfs/dbraw/zinc/62/99/64/472629964.db2.gz WLHRIJFHKRACSS-QGTPRVQTSA-N 1 3 346.471 2.834 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000130826923 472629966 /nfs/dbraw/zinc/62/99/66/472629966.db2.gz TXGRIKQYSPILEL-HKUYNNGSSA-N 1 3 331.504 2.838 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000130826923 472629968 /nfs/dbraw/zinc/62/99/68/472629968.db2.gz TXGRIKQYSPILEL-HKUYNNGSSA-N 1 3 331.504 2.838 20 0 EFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1F ZINC000120097957 472630160 /nfs/dbraw/zinc/63/01/60/472630160.db2.gz WSLNTPJJZHPBGS-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO Cc1ccccc1CCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000103433083 472633147 /nfs/dbraw/zinc/63/31/47/472633147.db2.gz JEDQMQZKFUPQKP-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1OCCN(C)C ZINC000060452936 472656747 /nfs/dbraw/zinc/65/67/47/472656747.db2.gz HVJLTTDJLPFNNW-QGZVFWFLSA-N 1 3 349.519 2.867 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000156050143 472659515 /nfs/dbraw/zinc/65/95/15/472659515.db2.gz DHEZMSPCCYMEJV-QFBILLFUSA-N 1 3 329.488 2.545 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000104213822 472662315 /nfs/dbraw/zinc/66/23/15/472662315.db2.gz KTASKOKBYZBTFN-KRWDZBQOSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CCN1C ZINC000156077317 472662377 /nfs/dbraw/zinc/66/23/77/472662377.db2.gz SJTSXWFQCGYNIZ-VQTJNVASSA-N 1 3 344.547 2.661 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CCO[C@H]2C)cc1OC ZINC000120307158 472666500 /nfs/dbraw/zinc/66/65/00/472666500.db2.gz UZXOLRGRRSFCBV-RDJZCZTQSA-N 1 3 336.476 2.683 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000090945333 472668563 /nfs/dbraw/zinc/66/85/63/472668563.db2.gz QTFUBVCVDFHUNT-XOUADPBQSA-N 1 3 325.497 2.608 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000090945333 472668567 /nfs/dbraw/zinc/66/85/67/472668567.db2.gz QTFUBVCVDFHUNT-XOUADPBQSA-N 1 3 325.497 2.608 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000633797593 480003156 /nfs/dbraw/zinc/00/31/56/480003156.db2.gz LCQPHSWRINTPEO-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000633797593 480003160 /nfs/dbraw/zinc/00/31/60/480003160.db2.gz LCQPHSWRINTPEO-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc2ncc(C[NH2+]CCCCN3C[C@H](C)O[C@@H](C)C3)n2c1 ZINC000156224886 472679551 /nfs/dbraw/zinc/67/95/51/472679551.db2.gz UFBJOYHVCXWPOI-IRXDYDNUSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCN1CCCC1 ZINC000120384878 472679951 /nfs/dbraw/zinc/67/99/51/472679951.db2.gz HBFMVJDKEKDFIV-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCN1CCCC1 ZINC000120384878 472679946 /nfs/dbraw/zinc/67/99/46/472679946.db2.gz HBFMVJDKEKDFIV-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO COc1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000072758801 472710960 /nfs/dbraw/zinc/71/09/60/472710960.db2.gz IUZZDOZEOJKYPN-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000072758801 472710964 /nfs/dbraw/zinc/71/09/64/472710964.db2.gz IUZZDOZEOJKYPN-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](N(C)C)C1)[NH+]1CCCC1 ZINC000105105394 472722472 /nfs/dbraw/zinc/72/24/72/472722472.db2.gz CCJXZRIYDSBHDJ-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](N(C)C)C1)[NH+]1CCCC1 ZINC000105105381 472722633 /nfs/dbraw/zinc/72/26/33/472722633.db2.gz CCJXZRIYDSBHDJ-ZWKOTPCHSA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)cc1 ZINC000120663037 472727187 /nfs/dbraw/zinc/72/71/87/472727187.db2.gz HIRCQRQGWYPNKG-YLJYHZDGSA-N 1 3 345.531 2.980 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000105197974 472732630 /nfs/dbraw/zinc/73/26/30/472732630.db2.gz YZHYMALWTCAJLS-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000105197974 472732633 /nfs/dbraw/zinc/73/26/33/472732633.db2.gz YZHYMALWTCAJLS-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000105198479 472733238 /nfs/dbraw/zinc/73/32/38/472733238.db2.gz PMNAZMNTZIWWBP-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000105198479 472733244 /nfs/dbraw/zinc/73/32/44/472733244.db2.gz PMNAZMNTZIWWBP-ZWKOTPCHSA-N 1 3 338.540 2.526 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000120827200 472754369 /nfs/dbraw/zinc/75/43/69/472754369.db2.gz PZVMTWPCPJOLTK-SFHVURJKSA-N 1 3 349.519 2.771 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000120827200 472754375 /nfs/dbraw/zinc/75/43/75/472754375.db2.gz PZVMTWPCPJOLTK-SFHVURJKSA-N 1 3 349.519 2.771 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@@H](Cc1ccccc1)N(C)C)C(C)C ZINC000047683027 472756591 /nfs/dbraw/zinc/75/65/91/472756591.db2.gz YCOPOYVGANRWFU-LJQANCHMSA-N 1 3 348.535 2.577 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2c(OC)cc(OC)cc2OC)[C@H](C)C1 ZINC000157087319 472783746 /nfs/dbraw/zinc/78/37/46/472783746.db2.gz KDXWCLHDUYXIJL-PBHICJAKSA-N 1 3 336.476 2.575 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2c(OC)cc(OC)cc2OC)[C@H](C)C1 ZINC000157087319 472783753 /nfs/dbraw/zinc/78/37/53/472783753.db2.gz KDXWCLHDUYXIJL-PBHICJAKSA-N 1 3 336.476 2.575 20 0 EFADHO CCN1CCC(NC(=O)NCc2ccccc2C[NH+](CC)CC)CC1 ZINC000047979268 472793481 /nfs/dbraw/zinc/79/34/81/472793481.db2.gz OVDDRMRGMUXSHD-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000121130243 472802846 /nfs/dbraw/zinc/80/28/46/472802846.db2.gz DGIHGQCIBNSMBI-IAGOWNOFSA-N 1 3 349.519 2.628 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000121137745 472805026 /nfs/dbraw/zinc/80/50/26/472805026.db2.gz QCOOMMWVDDUVAF-CABCVRRESA-N 1 3 325.447 2.889 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415639 472808108 /nfs/dbraw/zinc/80/81/08/472808108.db2.gz DIVAURVDOYIQMU-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000073415639 472808114 /nfs/dbraw/zinc/80/81/14/472808114.db2.gz DIVAURVDOYIQMU-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO CC[NH+](CC)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000073416749 472808241 /nfs/dbraw/zinc/80/82/41/472808241.db2.gz OKSSCDFSHXIVRK-SFHVURJKSA-N 1 3 346.519 2.634 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000121159937 472808772 /nfs/dbraw/zinc/80/87/72/472808772.db2.gz QTJRKHPUCVQFHV-VQIMIIECSA-N 1 3 349.494 2.903 20 0 EFADHO CCCN(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000063756112 472810572 /nfs/dbraw/zinc/81/05/72/472810572.db2.gz HWCZCBJJYZFWSM-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CCCN(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000063756112 472810579 /nfs/dbraw/zinc/81/05/79/472810579.db2.gz HWCZCBJJYZFWSM-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O)C1CCN(C)CC1 ZINC000091899500 472823029 /nfs/dbraw/zinc/82/30/29/472823029.db2.gz WOCGVQVCPVJMHR-RXVVDRJESA-N 1 3 345.531 2.810 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C1CCN(C)CC1 ZINC000091899500 472823037 /nfs/dbraw/zinc/82/30/37/472823037.db2.gz WOCGVQVCPVJMHR-RXVVDRJESA-N 1 3 345.531 2.810 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000064229622 472838038 /nfs/dbraw/zinc/83/80/38/472838038.db2.gz WPBAOMHTTOCSEF-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)CC(C)C)c1 ZINC000064229622 472838043 /nfs/dbraw/zinc/83/80/43/472838043.db2.gz WPBAOMHTTOCSEF-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)N(C)C ZINC000106427607 472851655 /nfs/dbraw/zinc/85/16/55/472851655.db2.gz NGFHJKSQPOCJML-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000157741625 472853894 /nfs/dbraw/zinc/85/38/94/472853894.db2.gz AKDKKZZIJZWKFJ-CQSZACIVSA-N 1 3 335.517 2.526 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000106461012 472854000 /nfs/dbraw/zinc/85/40/00/472854000.db2.gz CQPRVFXEPUUNGR-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000106461012 472854007 /nfs/dbraw/zinc/85/40/07/472854007.db2.gz CQPRVFXEPUUNGR-NVXWUHKLSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@@H]1OCC[C@H]1[NH2+]CCCOC1CCN(Cc2ccccc2)CC1 ZINC000121534649 472867639 /nfs/dbraw/zinc/86/76/39/472867639.db2.gz PINJQVGPNBBOHW-FXAWDEMLSA-N 1 3 332.488 2.825 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000121537234 472868714 /nfs/dbraw/zinc/86/87/14/472868714.db2.gz DSYDLLZMMUHXIO-WDSOQIARSA-N 1 3 330.472 2.674 20 0 EFADHO CN(c1ccccc1C[NH2+]CC1(O)CCCC1)C1CCN(C)CC1 ZINC000134106068 472875557 /nfs/dbraw/zinc/87/55/57/472875557.db2.gz XGSAMUMHXSRKDN-UHFFFAOYSA-N 1 3 331.504 2.612 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158074406 472888998 /nfs/dbraw/zinc/88/89/98/472888998.db2.gz GPWLMZFGDHPCSQ-TZMCWYRMSA-N 1 3 339.867 2.750 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158074406 472889004 /nfs/dbraw/zinc/88/90/04/472889004.db2.gz GPWLMZFGDHPCSQ-TZMCWYRMSA-N 1 3 339.867 2.750 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000106829170 472896064 /nfs/dbraw/zinc/89/60/64/472896064.db2.gz DIRJUPGKHYNQRZ-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000158148530 472898572 /nfs/dbraw/zinc/89/85/72/472898572.db2.gz ZGTLFBGYOJLPCK-MRXNPFEDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CN(C)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000158148530 472898579 /nfs/dbraw/zinc/89/85/79/472898579.db2.gz ZGTLFBGYOJLPCK-MRXNPFEDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000158190400 472905193 /nfs/dbraw/zinc/90/51/93/472905193.db2.gz YIOATJLMQYRVTA-FXAWDEMLSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000079799695 472924274 /nfs/dbraw/zinc/92/42/74/472924274.db2.gz DITJCCAUOYZGFJ-QGZVFWFLSA-N 1 3 329.488 2.631 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@@H](C)O1 ZINC000092587212 472943368 /nfs/dbraw/zinc/94/33/68/472943368.db2.gz QFPYWYLZJHXOJD-HZPDHXFCSA-N 1 3 342.487 2.884 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122001873 472960672 /nfs/dbraw/zinc/96/06/72/472960672.db2.gz VYJWAAPDNSZIAE-HZPDHXFCSA-N 1 3 325.497 2.896 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCCCN1C ZINC000092692707 472964883 /nfs/dbraw/zinc/96/48/83/472964883.db2.gz FPAYLIOIFZGEKJ-IBGZPJMESA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H](C)N(C)C2CC2)CC1 ZINC000080117210 472978750 /nfs/dbraw/zinc/97/87/50/472978750.db2.gz ACSNEWHMZFGFMW-INIZCTEOSA-N 1 3 338.540 2.526 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134894134 472984979 /nfs/dbraw/zinc/98/49/79/472984979.db2.gz WVAZCPFYEUILPY-UZLBHIALSA-N 1 3 337.467 2.977 20 0 EFADHO O=c1[nH]c2ccccc2cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134894134 472984986 /nfs/dbraw/zinc/98/49/86/472984986.db2.gz WVAZCPFYEUILPY-UZLBHIALSA-N 1 3 337.467 2.977 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074323489 472988740 /nfs/dbraw/zinc/98/87/40/472988740.db2.gz QQZXXMGJASPQDV-SFHVURJKSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074323489 472988747 /nfs/dbraw/zinc/98/87/47/472988747.db2.gz QQZXXMGJASPQDV-SFHVURJKSA-N 1 3 329.488 2.552 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)cc1)C1CC1 ZINC000107893387 472990433 /nfs/dbraw/zinc/99/04/33/472990433.db2.gz NUZVERSLVPBLNI-KRWDZBQOSA-N 1 3 329.488 2.743 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1)C1CC1 ZINC000107893387 472990440 /nfs/dbraw/zinc/99/04/40/472990440.db2.gz NUZVERSLVPBLNI-KRWDZBQOSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000608475195 480023502 /nfs/dbraw/zinc/02/35/02/480023502.db2.gz OJXIVPBFMJECSP-RMJJICAUSA-N 1 3 343.515 2.981 20 0 EFADHO C[C@H](C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000608475195 480023507 /nfs/dbraw/zinc/02/35/07/480023507.db2.gz OJXIVPBFMJECSP-RMJJICAUSA-N 1 3 343.515 2.981 20 0 EFADHO CC(C)=C[C@@H]1[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000050800336 473010773 /nfs/dbraw/zinc/01/07/73/473010773.db2.gz AIRXBVYWMCBWKT-RTBURBONSA-N 1 3 347.547 2.900 20 0 EFADHO CC(C)=C[C@H]1[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000050800346 473011961 /nfs/dbraw/zinc/01/19/61/473011961.db2.gz AIRXBVYWMCBWKT-OALUTQOASA-N 1 3 347.547 2.900 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000066155976 473050971 /nfs/dbraw/zinc/05/09/71/473050971.db2.gz DRXNVGIKGMUJDA-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000122857242 473066081 /nfs/dbraw/zinc/06/60/81/473066081.db2.gz VRQXNSGLCOUCOG-ZACQAIPSSA-N 1 3 347.503 2.795 20 0 EFADHO CC[C@H]1CCCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758589 473066807 /nfs/dbraw/zinc/06/68/07/473066807.db2.gz SGQOVRPEWJKVAL-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000051758590 473066853 /nfs/dbraw/zinc/06/68/53/473066853.db2.gz XRESDJPDXCKCPR-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074831791 473073236 /nfs/dbraw/zinc/07/32/36/473073236.db2.gz IKVGTHOTBOCTGY-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NCCN1CCC[C@H](C)C1)C(C)C ZINC000074851317 473079663 /nfs/dbraw/zinc/07/96/63/473079663.db2.gz PMBXYYLNOFERGK-KRWDZBQOSA-N 1 3 326.529 2.526 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2c2ccccc2C)CC1 ZINC000052211922 473095034 /nfs/dbraw/zinc/09/50/34/473095034.db2.gz FQSOSJZQKLMEBY-IBGZPJMESA-N 1 3 329.488 2.732 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)N2CCc3ccccc32)CC1 ZINC000109788181 473121772 /nfs/dbraw/zinc/12/17/72/473121772.db2.gz AVONRWGDUZYYOO-UHFFFAOYSA-N 1 3 329.488 2.772 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)N2CCc3sccc3C2)CC1 ZINC000109788859 473123236 /nfs/dbraw/zinc/12/32/36/473123236.db2.gz PGCGZQKWHXVMBS-UHFFFAOYSA-N 1 3 349.544 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCOCC2CC2)CC1 ZINC000093818626 473151209 /nfs/dbraw/zinc/15/12/09/473151209.db2.gz JNLXFYFJDREMFT-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCOCC2CC2)CC1 ZINC000093818626 473151216 /nfs/dbraw/zinc/15/12/16/473151216.db2.gz JNLXFYFJDREMFT-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1N(C)C ZINC000093945479 473165600 /nfs/dbraw/zinc/16/56/00/473165600.db2.gz YECYJVWBKIRNTC-IRXDYDNUSA-N 1 3 331.504 2.904 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000066898391 473171348 /nfs/dbraw/zinc/17/13/48/473171348.db2.gz DKDQOLRZETXBBB-LJQANCHMSA-N 1 3 343.515 2.857 20 0 EFADHO COCc1cc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)ccc1OC ZINC000150985477 473392168 /nfs/dbraw/zinc/39/21/68/473392168.db2.gz QBLVTWLUGFXRAP-INIZCTEOSA-N 1 3 349.519 2.518 20 0 EFADHO COc1ccc2oc(CNCCCC[N@@H+]3CCC[C@H]3CO)cc2c1 ZINC000125323781 473393011 /nfs/dbraw/zinc/39/30/11/473393011.db2.gz MDPROWNCZWYXDP-INIZCTEOSA-N 1 3 332.444 2.768 20 0 EFADHO COc1ccc2oc(CNCCCC[N@H+]3CCC[C@H]3CO)cc2c1 ZINC000125323781 473393016 /nfs/dbraw/zinc/39/30/16/473393016.db2.gz MDPROWNCZWYXDP-INIZCTEOSA-N 1 3 332.444 2.768 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113512139 473397682 /nfs/dbraw/zinc/39/76/82/473397682.db2.gz DJZVHFQPXJIKIZ-MJGOQNOKSA-N 1 3 348.531 2.916 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113512139 473397688 /nfs/dbraw/zinc/39/76/88/473397688.db2.gz DJZVHFQPXJIKIZ-MJGOQNOKSA-N 1 3 348.531 2.916 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000113512138 473399235 /nfs/dbraw/zinc/39/92/35/473399235.db2.gz DJZVHFQPXJIKIZ-IEBWSBKVSA-N 1 3 348.531 2.916 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000113512138 473399242 /nfs/dbraw/zinc/39/92/42/473399242.db2.gz DJZVHFQPXJIKIZ-IEBWSBKVSA-N 1 3 348.531 2.916 20 0 EFADHO CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125389535 473403953 /nfs/dbraw/zinc/40/39/53/473403953.db2.gz IDQWWLQLFWNDQK-RTBURBONSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125389535 473403961 /nfs/dbraw/zinc/40/39/61/473403961.db2.gz IDQWWLQLFWNDQK-RTBURBONSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)N(C)C1CC1 ZINC000185373413 473408512 /nfs/dbraw/zinc/40/85/12/473408512.db2.gz CVMSFUIFULJTJV-INIZCTEOSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)N(C)C1CC1 ZINC000113616305 473410914 /nfs/dbraw/zinc/41/09/14/473410914.db2.gz VNBWVDCESUBJAY-HZPDHXFCSA-N 1 3 346.519 2.898 20 0 EFADHO Cc1nccn1CCCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125495128 473418902 /nfs/dbraw/zinc/41/89/02/473418902.db2.gz UVBRZARCDNXQRE-HDICACEKSA-N 1 3 348.535 2.793 20 0 EFADHO CC(C)N(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000190893781 473421587 /nfs/dbraw/zinc/42/15/87/473421587.db2.gz QYOJRVWCXQIUOK-HDICACEKSA-N 1 3 348.535 2.905 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000185457492 473432568 /nfs/dbraw/zinc/43/25/68/473432568.db2.gz ZARRWOUQRJFNAR-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000185500192 473444167 /nfs/dbraw/zinc/44/41/67/473444167.db2.gz AZKPTVNMQIRQFI-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H](N)Cc2ccccc2)[NH+](C)C)cc1 ZINC000163600666 473457181 /nfs/dbraw/zinc/45/71/81/473457181.db2.gz AFGDLVUFEAMDCK-VQTJNVASSA-N 1 3 339.483 2.538 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000096625402 473458850 /nfs/dbraw/zinc/45/88/50/473458850.db2.gz SBYUXOYBBLQBDR-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163619046 473459483 /nfs/dbraw/zinc/45/94/83/473459483.db2.gz CVOYKZJGLFRGQS-CABCVRRESA-N 1 3 335.492 2.581 20 0 EFADHO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cnnn2)cc1 ZINC000125989326 473477569 /nfs/dbraw/zinc/47/75/69/473477569.db2.gz XVYBCOQASQBFKY-YOEHRIQHSA-N 1 3 330.480 2.679 20 0 EFADHO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cnnn2)cc1 ZINC000125990038 473477828 /nfs/dbraw/zinc/47/78/28/473477828.db2.gz XVYBCOQASQBFKY-RHSMWYFYSA-N 1 3 330.480 2.679 20 0 EFADHO CSCC[C@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000164317355 473485264 /nfs/dbraw/zinc/48/52/64/473485264.db2.gz MJXLYPKRNBUZOU-HOCLYGCPSA-N 1 3 347.532 2.843 20 0 EFADHO C[C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000164454495 473489092 /nfs/dbraw/zinc/48/90/92/473489092.db2.gz GVQSHVIYOGHAPW-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)CC2CCC2)CC1 ZINC000171971008 473492708 /nfs/dbraw/zinc/49/27/08/473492708.db2.gz NNHAIQYOZQHBLF-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)CC2CCC2)CC1 ZINC000171971008 473492710 /nfs/dbraw/zinc/49/27/10/473492710.db2.gz NNHAIQYOZQHBLF-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC(C)[NH2+]CCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000165035799 473505172 /nfs/dbraw/zinc/50/51/72/473505172.db2.gz OILAVPBKJCQUPO-LJQANCHMSA-N 1 3 345.531 2.964 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000165037734 473505690 /nfs/dbraw/zinc/50/56/90/473505690.db2.gz CRPSAYFDRNJPGM-RBUKOAKNSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)CN1CCCC1 ZINC000165331047 473510167 /nfs/dbraw/zinc/51/01/67/473510167.db2.gz FXEGFFAUYBHXIV-HBFSDRIKSA-N 1 3 330.520 2.614 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000165728666 473515681 /nfs/dbraw/zinc/51/56/81/473515681.db2.gz VNHIZJNVUDYWBV-HXUWFJFHSA-N 1 3 343.515 2.966 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000165982189 473518390 /nfs/dbraw/zinc/51/83/90/473518390.db2.gz HYXAAHVGLUUZOH-IHPCNDPISA-N 1 3 333.520 2.768 20 0 EFADHO N[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000152172115 473531087 /nfs/dbraw/zinc/53/10/87/473531087.db2.gz LOXWCAKSAFDSRH-UXHICEINSA-N 1 3 337.467 2.715 20 0 EFADHO N[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000152172115 473531092 /nfs/dbraw/zinc/53/10/92/473531092.db2.gz LOXWCAKSAFDSRH-UXHICEINSA-N 1 3 337.467 2.715 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667598 473535381 /nfs/dbraw/zinc/53/53/81/473535381.db2.gz NGCQPPFYTKBHHB-SOLBZPMBSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667598 473535386 /nfs/dbraw/zinc/53/53/86/473535386.db2.gz NGCQPPFYTKBHHB-SOLBZPMBSA-N 1 3 348.510 2.711 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cc(F)ccc1N1CCN(C)CC1 ZINC000126667598 473535388 /nfs/dbraw/zinc/53/53/88/473535388.db2.gz NGCQPPFYTKBHHB-SOLBZPMBSA-N 1 3 348.510 2.711 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168515595 473543139 /nfs/dbraw/zinc/54/31/39/473543139.db2.gz MHZPWBDHWBCVEH-BPQIPLTHSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168515595 473543143 /nfs/dbraw/zinc/54/31/43/473543143.db2.gz MHZPWBDHWBCVEH-BPQIPLTHSA-N 1 3 349.544 2.578 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000191473795 473544375 /nfs/dbraw/zinc/54/43/75/473544375.db2.gz XUQUSRNZQCCFHE-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1COCCN1CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000191473795 473544381 /nfs/dbraw/zinc/54/43/81/473544381.db2.gz XUQUSRNZQCCFHE-LJQANCHMSA-N 1 3 345.531 2.551 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)c1ccsc1 ZINC000178701077 473544933 /nfs/dbraw/zinc/54/49/33/473544933.db2.gz PJQUPIRPBDSMLE-ZWKOTPCHSA-N 1 3 345.512 2.990 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152366121 473553611 /nfs/dbraw/zinc/55/36/11/473553611.db2.gz NQFYIIBQQZLSAX-CHWSQXEVSA-N 1 3 336.867 2.526 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000152366121 473553618 /nfs/dbraw/zinc/55/36/18/473553618.db2.gz NQFYIIBQQZLSAX-CHWSQXEVSA-N 1 3 336.867 2.526 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000191568017 473555645 /nfs/dbraw/zinc/55/56/45/473555645.db2.gz UHYFWVPNMYOXLG-FQEVSTJZSA-N 1 3 330.520 2.589 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000191568017 473555651 /nfs/dbraw/zinc/55/56/51/473555651.db2.gz UHYFWVPNMYOXLG-FQEVSTJZSA-N 1 3 330.520 2.589 20 0 EFADHO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191602192 473558632 /nfs/dbraw/zinc/55/86/32/473558632.db2.gz OVMBMYORSXGBIR-SFHVURJKSA-N 1 3 333.524 2.580 20 0 EFADHO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000191602192 473558634 /nfs/dbraw/zinc/55/86/34/473558634.db2.gz OVMBMYORSXGBIR-SFHVURJKSA-N 1 3 333.524 2.580 20 0 EFADHO C[C@H](CCNC(=O)[C@H](CN)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000178857551 473579211 /nfs/dbraw/zinc/57/92/11/473579211.db2.gz FGQFLBDOFCYCKZ-YLJYHZDGSA-N 1 3 339.483 2.756 20 0 EFADHO C[C@H](CCNC(=O)[C@H](CN)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000178857551 473579217 /nfs/dbraw/zinc/57/92/17/473579217.db2.gz FGQFLBDOFCYCKZ-YLJYHZDGSA-N 1 3 339.483 2.756 20 0 EFADHO NC(=O)c1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000178918400 473591235 /nfs/dbraw/zinc/59/12/35/473591235.db2.gz OEPPZBHOJGIDBG-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000152908963 473599101 /nfs/dbraw/zinc/59/91/01/473599101.db2.gz WPWGOAWNYAFSOH-CQSZACIVSA-N 1 3 340.899 2.536 20 0 EFADHO CC(C)[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)N(C)C ZINC000116215514 473638792 /nfs/dbraw/zinc/63/87/92/473638792.db2.gz KVODHIKJIFOCAB-VQIMIIECSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000172653870 473667612 /nfs/dbraw/zinc/66/76/12/473667612.db2.gz AGNSPLRYHGRWAP-UHFFFAOYSA-N 1 3 338.540 2.621 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001178 480053868 /nfs/dbraw/zinc/05/38/68/480053868.db2.gz JYFZZIFYOYNPFM-AEFFLSMTSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001178 480053871 /nfs/dbraw/zinc/05/38/71/480053871.db2.gz JYFZZIFYOYNPFM-AEFFLSMTSA-N 1 3 331.504 2.916 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000186444171 473675408 /nfs/dbraw/zinc/67/54/08/473675408.db2.gz QTIXRQYAZCVUJD-DOTOQJQBSA-N 1 3 349.475 2.508 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000192451061 473681405 /nfs/dbraw/zinc/68/14/05/473681405.db2.gz OPSSGWIVPLPCRO-UHFFFAOYSA-N 1 3 343.515 2.760 20 0 EFADHO O=C1O[C@@H](CN2CCC(C[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000172779314 473683389 /nfs/dbraw/zinc/68/33/89/473683389.db2.gz AQLBFXMILIDCLK-IBGZPJMESA-N 1 3 343.471 2.820 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192538807 473690280 /nfs/dbraw/zinc/69/02/80/473690280.db2.gz RTAFIDGFPGHDNJ-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000192553342 473692129 /nfs/dbraw/zinc/69/21/29/473692129.db2.gz LGXOECXPJWKOGB-FQEVSTJZSA-N 1 3 341.499 2.642 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000245610385 473727548 /nfs/dbraw/zinc/72/75/48/473727548.db2.gz SKOZZYLTPHAILV-VNQPRFMTSA-N 1 3 325.497 2.610 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)[C@H](C)C1 ZINC000245610385 473727555 /nfs/dbraw/zinc/72/75/55/473727555.db2.gz SKOZZYLTPHAILV-VNQPRFMTSA-N 1 3 325.497 2.610 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000192848214 473736477 /nfs/dbraw/zinc/73/64/77/473736477.db2.gz SJQLJSYWGKGDTD-UXHICEINSA-N 1 3 331.504 2.522 20 0 EFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269235875 473743064 /nfs/dbraw/zinc/74/30/64/473743064.db2.gz BLANTFSMNQSCBE-FQEVSTJZSA-N 1 3 331.504 2.778 20 0 EFADHO Fc1cncc([C@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000281500194 473743129 /nfs/dbraw/zinc/74/31/29/473743129.db2.gz GRQTYQJQQBMZNA-IFXJQAMLSA-N 1 3 333.451 2.762 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000269240843 473746086 /nfs/dbraw/zinc/74/60/86/473746086.db2.gz JFJMYBGZXDYBNI-SXLOBPIMSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000269240843 473746092 /nfs/dbraw/zinc/74/60/92/473746092.db2.gz JFJMYBGZXDYBNI-SXLOBPIMSA-N 1 3 343.515 2.669 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263305445 473747499 /nfs/dbraw/zinc/74/74/99/473747499.db2.gz FBAXKXMVPKMLQY-JZXOWHBKSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263305445 473747504 /nfs/dbraw/zinc/74/75/04/473747504.db2.gz FBAXKXMVPKMLQY-JZXOWHBKSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc4nccn43)CC2)C[C@@H](C)O1 ZINC000179884081 473747876 /nfs/dbraw/zinc/74/78/76/473747876.db2.gz ZLUSMVNITBCLPR-IAGOWNOFSA-N 1 3 342.487 2.656 20 0 EFADHO CCN1CCC[C@@H]1CN(C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269249670 473748213 /nfs/dbraw/zinc/74/82/13/473748213.db2.gz GLHJZVYJHBLUBX-GOSISDBHSA-N 1 3 342.487 2.546 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](CN)c1ccccc1)c1ccccc1 ZINC000269249616 473748336 /nfs/dbraw/zinc/74/83/36/473748336.db2.gz GIERSRBQXDIPDD-QFBILLFUSA-N 1 3 339.483 2.975 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269267316 473755360 /nfs/dbraw/zinc/75/53/60/473755360.db2.gz QGMLZPPDZUEMNR-QAPCUYQASA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269267316 473755368 /nfs/dbraw/zinc/75/53/68/473755368.db2.gz QGMLZPPDZUEMNR-QAPCUYQASA-N 1 3 333.476 2.719 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCN1C ZINC000269277245 473760164 /nfs/dbraw/zinc/76/01/64/473760164.db2.gz XXRNPICSRVBWBI-CRAIPNDOSA-N 1 3 342.487 2.545 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000245919543 473761870 /nfs/dbraw/zinc/76/18/70/473761870.db2.gz XLQYBDAPTBRCGP-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000245919543 473761878 /nfs/dbraw/zinc/76/18/78/473761878.db2.gz XLQYBDAPTBRCGP-BZUAXINKSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246133858 473786579 /nfs/dbraw/zinc/78/65/79/473786579.db2.gz JCCYHMPBPDBJIV-IEBWSBKVSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246133858 473786585 /nfs/dbraw/zinc/78/65/85/473786585.db2.gz JCCYHMPBPDBJIV-IEBWSBKVSA-N 1 3 346.519 2.663 20 0 EFADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000246169803 473792097 /nfs/dbraw/zinc/79/20/97/473792097.db2.gz LDJLZHWKBMDOIT-MOPGFXCFSA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000246169803 473792103 /nfs/dbraw/zinc/79/21/03/473792103.db2.gz LDJLZHWKBMDOIT-MOPGFXCFSA-N 1 3 344.503 2.516 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281641254 473792353 /nfs/dbraw/zinc/79/23/53/473792353.db2.gz OZTYTMKTXWNWPX-GUDVDZBRSA-N 1 3 333.451 2.639 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281641259 473792411 /nfs/dbraw/zinc/79/24/11/473792411.db2.gz OZTYTMKTXWNWPX-QRVBRYPASA-N 1 3 333.451 2.639 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180148642 473811246 /nfs/dbraw/zinc/81/12/46/473811246.db2.gz XVUARONHZNIBSY-VQHPVUNQSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000180148642 473811253 /nfs/dbraw/zinc/81/12/53/473811253.db2.gz XVUARONHZNIBSY-VQHPVUNQSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000173348884 473812768 /nfs/dbraw/zinc/81/27/68/473812768.db2.gz OYXKNSBHMBOYSP-OAHLLOKOSA-N 1 3 347.478 2.604 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180170271 473816820 /nfs/dbraw/zinc/81/68/20/473816820.db2.gz CUDSQEJIVOTKIE-KPACCLEDSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170271 473816827 /nfs/dbraw/zinc/81/68/27/473816827.db2.gz CUDSQEJIVOTKIE-KPACCLEDSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170271 473816834 /nfs/dbraw/zinc/81/68/34/473816834.db2.gz CUDSQEJIVOTKIE-KPACCLEDSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C[C@@H](C)O1 ZINC000194007342 473826950 /nfs/dbraw/zinc/82/69/50/473826950.db2.gz HTUGULYSYWNZQA-FVVUREQNSA-N 1 3 336.520 2.813 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000246327346 473830018 /nfs/dbraw/zinc/83/00/18/473830018.db2.gz FWJWFUSHPSICKS-HOTGVXAUSA-N 1 3 334.460 2.689 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246327346 473830010 /nfs/dbraw/zinc/83/00/10/473830010.db2.gz FWJWFUSHPSICKS-HOTGVXAUSA-N 1 3 334.460 2.689 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000274479978 473843010 /nfs/dbraw/zinc/84/30/10/473843010.db2.gz MPVKHXJYGPZOEL-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO COC(=O)COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C)cc1 ZINC000274486441 473845826 /nfs/dbraw/zinc/84/58/26/473845826.db2.gz RPKPKEFINBIBCA-RDJZCZTQSA-N 1 3 334.460 2.763 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269630744 473847873 /nfs/dbraw/zinc/84/78/73/473847873.db2.gz HRMMASSKPNITGJ-CEWLAPEOSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269630744 473847878 /nfs/dbraw/zinc/84/78/78/473847878.db2.gz HRMMASSKPNITGJ-CEWLAPEOSA-N 1 3 344.499 2.513 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269687875 473861499 /nfs/dbraw/zinc/86/14/99/473861499.db2.gz VWIPEGFKCQJIBX-MPGHIAIKSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269687875 473861505 /nfs/dbraw/zinc/86/15/05/473861505.db2.gz VWIPEGFKCQJIBX-MPGHIAIKSA-N 1 3 333.476 2.719 20 0 EFADHO C[NH+](C)CCCCNCc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281895149 473875206 /nfs/dbraw/zinc/87/52/06/473875206.db2.gz FGAPMPSXGKPFFY-UHFFFAOYSA-N 1 3 328.482 2.922 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc2ccccc2c1 ZINC000281907884 473880657 /nfs/dbraw/zinc/88/06/57/473880657.db2.gz GFIPZZDTDKTSHC-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000173618277 473892755 /nfs/dbraw/zinc/89/27/55/473892755.db2.gz JXOBBTAZTINGKB-OAHLLOKOSA-N 1 3 343.471 2.908 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000173618277 473892761 /nfs/dbraw/zinc/89/27/61/473892761.db2.gz JXOBBTAZTINGKB-OAHLLOKOSA-N 1 3 343.471 2.908 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(N)=O)c1 ZINC000263931332 473909706 /nfs/dbraw/zinc/90/97/06/473909706.db2.gz YCVGHXWFOYAHOJ-UHFFFAOYSA-N 1 3 325.456 2.869 20 0 EFADHO C(=C/C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)\CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246616059 473917443 /nfs/dbraw/zinc/91/74/43/473917443.db2.gz JRXSQDQSAAMGBQ-IYJQCHCFSA-N 1 3 334.504 2.544 20 0 EFADHO C(=C/C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)\CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246616059 473917449 /nfs/dbraw/zinc/91/74/49/473917449.db2.gz JRXSQDQSAAMGBQ-IYJQCHCFSA-N 1 3 334.504 2.544 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000274686845 473921582 /nfs/dbraw/zinc/92/15/82/473921582.db2.gz IPGLZTQCEBYEBM-QGZVFWFLSA-N 1 3 345.531 2.976 20 0 EFADHO COC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000187948818 473946356 /nfs/dbraw/zinc/94/63/56/473946356.db2.gz YGIHQUVISPUNFV-TZIWHRDSSA-N 1 3 346.515 2.582 20 0 EFADHO COC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000187948795 473947385 /nfs/dbraw/zinc/94/73/85/473947385.db2.gz YGIHQUVISPUNFV-CTNGQTDRSA-N 1 3 346.515 2.582 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274766491 473949558 /nfs/dbraw/zinc/94/95/58/473949558.db2.gz LMWVEAHZHKUYNP-QRQLOZEOSA-N 1 3 345.487 2.717 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274766491 473949564 /nfs/dbraw/zinc/94/95/64/473949564.db2.gz LMWVEAHZHKUYNP-QRQLOZEOSA-N 1 3 345.487 2.717 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274767478 473951047 /nfs/dbraw/zinc/95/10/47/473951047.db2.gz LMWVEAHZHKUYNP-UHOSZYNNSA-N 1 3 345.487 2.717 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274767478 473951055 /nfs/dbraw/zinc/95/10/55/473951055.db2.gz LMWVEAHZHKUYNP-UHOSZYNNSA-N 1 3 345.487 2.717 20 0 EFADHO COCc1cc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000282127297 473954424 /nfs/dbraw/zinc/95/44/24/473954424.db2.gz BEQLQTOKJGRFSZ-INIZCTEOSA-N 1 3 349.519 2.518 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246887486 473993249 /nfs/dbraw/zinc/99/32/49/473993249.db2.gz BINGXOGFNASGDH-PKOBYXMFSA-N 1 3 331.504 2.840 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246887486 473993257 /nfs/dbraw/zinc/99/32/57/473993257.db2.gz BINGXOGFNASGDH-PKOBYXMFSA-N 1 3 331.504 2.840 20 0 EFADHO CN(CCSc1ccc(F)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000180962111 473994344 /nfs/dbraw/zinc/99/43/44/473994344.db2.gz HZFKADRYRVQMFA-UHFFFAOYSA-N 1 3 339.524 2.876 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000246937007 474008310 /nfs/dbraw/zinc/00/83/10/474008310.db2.gz GTZKVCWVEVQMJG-GUXCAODWSA-N 1 3 347.503 2.602 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000246937007 474008317 /nfs/dbraw/zinc/00/83/17/474008317.db2.gz GTZKVCWVEVQMJG-GUXCAODWSA-N 1 3 347.503 2.602 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1OC ZINC000195118595 474009454 /nfs/dbraw/zinc/00/94/54/474009454.db2.gz HSTAELIPLDTDGT-INIZCTEOSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccccc1OC ZINC000195118595 474009460 /nfs/dbraw/zinc/00/94/60/474009460.db2.gz HSTAELIPLDTDGT-INIZCTEOSA-N 1 3 348.491 2.575 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1(C)C ZINC000282294535 474011796 /nfs/dbraw/zinc/01/17/96/474011796.db2.gz JGEGPPBNFKNGQR-UHFFFAOYSA-N 1 3 347.400 2.960 20 0 EFADHO COc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1SC ZINC000282331499 474025208 /nfs/dbraw/zinc/02/52/08/474025208.db2.gz LOXCIGUYNFJATP-UHFFFAOYSA-N 1 3 337.533 2.533 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C12CCCCC2 ZINC000181468140 474039668 /nfs/dbraw/zinc/03/96/68/474039668.db2.gz BCLQXMPHIONUNT-MOPGFXCFSA-N 1 3 337.552 2.730 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275018387 474042869 /nfs/dbraw/zinc/04/28/69/474042869.db2.gz SAMNNKXSTQQXCT-UHFFFAOYSA-N 1 3 327.875 2.986 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270278341 474055851 /nfs/dbraw/zinc/05/58/51/474055851.db2.gz VCOKWSNSTRKHBE-IBGZPJMESA-N 1 3 329.488 2.552 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@@H](C)C1 ZINC000247082845 474059864 /nfs/dbraw/zinc/05/98/64/474059864.db2.gz DDFOFNLTDYHTLC-PKOBYXMFSA-N 1 3 333.520 2.979 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000275117617 474075471 /nfs/dbraw/zinc/07/54/71/474075471.db2.gz ZBHXBKIIJBQYIE-JKSUJKDBSA-N 1 3 346.519 2.890 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000188392816 474081270 /nfs/dbraw/zinc/08/12/70/474081270.db2.gz FKGUSWDBBPERAB-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(Br)s2)CC1(C)C ZINC000282500731 474089038 /nfs/dbraw/zinc/08/90/38/474089038.db2.gz WRROAJRSSXLRJQ-UHFFFAOYSA-N 1 3 346.338 2.626 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C)C1 ZINC000282519878 474095994 /nfs/dbraw/zinc/09/59/94/474095994.db2.gz UKCZPIOKQZAOPT-NXHRZFHOSA-N 1 3 330.476 2.613 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@H](C)C1 ZINC000282519878 474095998 /nfs/dbraw/zinc/09/59/98/474095998.db2.gz UKCZPIOKQZAOPT-NXHRZFHOSA-N 1 3 330.476 2.613 20 0 EFADHO C[C@H](OC[C@H](O)C[N@@H+]1CC[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000247237885 474096934 /nfs/dbraw/zinc/09/69/34/474096934.db2.gz MXYHJSPWYIPKDQ-RLFYNMQTSA-N 1 3 340.895 2.662 20 0 EFADHO C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000247237885 474096941 /nfs/dbraw/zinc/09/69/41/474096941.db2.gz MXYHJSPWYIPKDQ-RLFYNMQTSA-N 1 3 340.895 2.662 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000270416320 474110132 /nfs/dbraw/zinc/11/01/32/474110132.db2.gz DEUPBEKGPFMDKE-ZCNNSNEGSA-N 1 3 344.499 2.717 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000247369392 474130825 /nfs/dbraw/zinc/13/08/25/474130825.db2.gz DWFAIHHDVBMCNZ-IRXDYDNUSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000247369392 474130828 /nfs/dbraw/zinc/13/08/28/474130828.db2.gz DWFAIHHDVBMCNZ-IRXDYDNUSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247374791 474131809 /nfs/dbraw/zinc/13/18/09/474131809.db2.gz FOULADSYIVDEEI-DLBZAZTESA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN(C)C2)C1 ZINC000247374791 474131817 /nfs/dbraw/zinc/13/18/17/474131817.db2.gz FOULADSYIVDEEI-DLBZAZTESA-N 1 3 338.540 2.528 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247460720 474152045 /nfs/dbraw/zinc/15/20/45/474152045.db2.gz POUKENFUTYDCIS-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247460720 474152051 /nfs/dbraw/zinc/15/20/51/474152051.db2.gz POUKENFUTYDCIS-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO OC1CC[NH+](CCCN[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000289117900 474154382 /nfs/dbraw/zinc/15/43/82/474154382.db2.gz DFIBSYFFWCHNTR-IBGZPJMESA-N 1 3 327.472 2.982 20 0 EFADHO Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000247474024 474156225 /nfs/dbraw/zinc/15/62/25/474156225.db2.gz JMMXBMORHKGZOJ-GOSISDBHSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000247474024 474156232 /nfs/dbraw/zinc/15/62/32/474156232.db2.gz JMMXBMORHKGZOJ-GOSISDBHSA-N 1 3 329.488 2.514 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000221762630 474162510 /nfs/dbraw/zinc/16/25/10/474162510.db2.gz QOXZSOFJCWJHBI-HDAAZOAOSA-N 1 3 340.467 2.987 20 0 EFADHO CCCOc1cccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289188105 474176395 /nfs/dbraw/zinc/17/63/95/474176395.db2.gz BFIOIMUSWBXAQB-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1)C1CCCCC1 ZINC000188737433 474180378 /nfs/dbraw/zinc/18/03/78/474180378.db2.gz VRULTYICYZHGLU-PKOBYXMFSA-N 1 3 347.478 2.767 20 0 EFADHO C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@H](F)CN1)C1CCCCC1 ZINC000188737433 474180384 /nfs/dbraw/zinc/18/03/84/474180384.db2.gz VRULTYICYZHGLU-PKOBYXMFSA-N 1 3 347.478 2.767 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000223545748 474187129 /nfs/dbraw/zinc/18/71/29/474187129.db2.gz DXMVAIVAVVFVTD-OAHLLOKOSA-N 1 3 325.497 2.848 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247657933 474195445 /nfs/dbraw/zinc/19/54/45/474195445.db2.gz YYTPLCZEACKFLQ-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000247657933 474195449 /nfs/dbraw/zinc/19/54/49/474195449.db2.gz YYTPLCZEACKFLQ-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453602 474219796 /nfs/dbraw/zinc/21/97/96/474219796.db2.gz UUFHZZDSZJQGGL-VQTJNVASSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(CC)CC ZINC000265453602 474219803 /nfs/dbraw/zinc/21/98/03/474219803.db2.gz UUFHZZDSZJQGGL-VQTJNVASSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H]([NH2+]Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C(C)C ZINC000247925993 474228408 /nfs/dbraw/zinc/22/84/08/474228408.db2.gz BOYNIBOMWMHVOS-RTBURBONSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000247955169 474231166 /nfs/dbraw/zinc/23/11/66/474231166.db2.gz FLPITJQKPUVQAY-BQGCOEIASA-N 1 3 325.447 2.886 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCN(C)C1)[N@H+](C)Cc1ccccc1 ZINC000175487174 474232980 /nfs/dbraw/zinc/23/29/80/474232980.db2.gz MDJDQRJMCMAYOD-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCN(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175487174 474232989 /nfs/dbraw/zinc/23/29/89/474232989.db2.gz MDJDQRJMCMAYOD-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)oc1C ZINC000247961999 474233405 /nfs/dbraw/zinc/23/34/05/474233405.db2.gz GJHAYYFXFACMTM-ZRGWGRIASA-N 1 3 348.535 2.822 20 0 EFADHO CCc1nc(C)c([C@@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248067443 474255274 /nfs/dbraw/zinc/25/52/74/474255274.db2.gz MHVWHQZISULEKI-HIFRSBDPSA-N 1 3 325.522 2.901 20 0 EFADHO CCc1nc(C)c([C@@H](C)NCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248067443 474255276 /nfs/dbraw/zinc/25/52/76/474255276.db2.gz MHVWHQZISULEKI-HIFRSBDPSA-N 1 3 325.522 2.901 20 0 EFADHO C[C@@H](CN1CCOCC1)[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000248077843 474257049 /nfs/dbraw/zinc/25/70/49/474257049.db2.gz RJSJKNBGHIJXAC-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H](CN1CCOCC1)[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000248077843 474257055 /nfs/dbraw/zinc/25/70/55/474257055.db2.gz RJSJKNBGHIJXAC-PZJWPPBQSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)(C)OC(=O)NC1CC(NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000229841558 474257418 /nfs/dbraw/zinc/25/74/18/474257418.db2.gz VKBLICLBUQDZCH-UHFFFAOYSA-N 1 3 325.497 2.895 20 0 EFADHO CN1CC[NH+](CC2CCN(Cc3cc4ccccc4o3)CC2)CC1 ZINC000289408186 474258283 /nfs/dbraw/zinc/25/82/83/474258283.db2.gz HNDUKPXQJYFOCH-UHFFFAOYSA-N 1 3 327.472 2.892 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000230406180 474260893 /nfs/dbraw/zinc/26/08/93/474260893.db2.gz BYEOXNFLEUDUIZ-ILXRZTDVSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCC1(NC(=O)OC(C)(C)C)CCC1 ZINC000230406180 474260899 /nfs/dbraw/zinc/26/08/99/474260899.db2.gz BYEOXNFLEUDUIZ-ILXRZTDVSA-N 1 3 325.497 2.752 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(N)CCCC2)CC1 ZINC000236629467 474274964 /nfs/dbraw/zinc/27/49/64/474274964.db2.gz UQZNWGTWRTWTQR-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000275673640 474275695 /nfs/dbraw/zinc/27/56/95/474275695.db2.gz ZERDOJUCCBNUPQ-IBGZPJMESA-N 1 3 348.466 2.517 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cnn(Cc2ccc(F)cc2)c1 ZINC000275673643 474275740 /nfs/dbraw/zinc/27/57/40/474275740.db2.gz ZERDOJUCCBNUPQ-LJQANCHMSA-N 1 3 348.466 2.517 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)CC2)oc1C ZINC000248171161 474277441 /nfs/dbraw/zinc/27/74/41/474277441.db2.gz UVDMHVMIZRGHJW-KSSFIOAISA-N 1 3 334.508 2.576 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000236663804 474277829 /nfs/dbraw/zinc/27/78/29/474277829.db2.gz QAWFOSHNXMAKOO-FQEVSTJZSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000236663804 474277840 /nfs/dbraw/zinc/27/78/40/474277840.db2.gz QAWFOSHNXMAKOO-FQEVSTJZSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)[C@H](CNC(=O)CC1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000236655923 474277862 /nfs/dbraw/zinc/27/78/62/474277862.db2.gz QCJQEBWPUBDQNT-FQEVSTJZSA-N 1 3 343.515 2.575 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000189065942 474279143 /nfs/dbraw/zinc/27/91/43/474279143.db2.gz GYSKDIVQQKDEHX-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CC1(C)CC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC(C)(C)[NH2+]1 ZINC000289468928 474284109 /nfs/dbraw/zinc/28/41/09/474284109.db2.gz YWVWASVECWAATF-JKSUJKDBSA-N 1 3 344.455 2.716 20 0 EFADHO Cc1ccc(CN2CC[C@H]([NH2+]C3CCN(C(C)C)CC3)C2=O)cc1 ZINC000189081551 474284415 /nfs/dbraw/zinc/28/44/15/474284415.db2.gz DWERBYUNJJGUAL-IBGZPJMESA-N 1 3 329.488 2.558 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069011 474291285 /nfs/dbraw/zinc/29/12/85/474291285.db2.gz JZHDIYKLOLVKOU-AZUAARDMSA-N 1 3 343.515 2.955 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283069011 474291291 /nfs/dbraw/zinc/29/12/91/474291291.db2.gz JZHDIYKLOLVKOU-AZUAARDMSA-N 1 3 343.515 2.955 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000265674798 474291657 /nfs/dbraw/zinc/29/16/57/474291657.db2.gz XULGANSHSDVAPC-KRWDZBQOSA-N 1 3 345.531 2.763 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189107946 474293432 /nfs/dbraw/zinc/29/34/32/474293432.db2.gz QBNIDTNAEPMVKH-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000236895469 474297073 /nfs/dbraw/zinc/29/70/73/474297073.db2.gz OVDCEDPOAKQNKN-QZTJIDSGSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000236895469 474297080 /nfs/dbraw/zinc/29/70/80/474297080.db2.gz OVDCEDPOAKQNKN-QZTJIDSGSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000236903066 474299712 /nfs/dbraw/zinc/29/97/12/474299712.db2.gz SFQJYHRKPFGFPS-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000236903066 474299716 /nfs/dbraw/zinc/29/97/16/474299716.db2.gz SFQJYHRKPFGFPS-SFHVURJKSA-N 1 3 329.488 2.629 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000275748866 474304260 /nfs/dbraw/zinc/30/42/60/474304260.db2.gz ZVWUAWIQVOILCA-UHFFFAOYSA-N 1 3 332.492 2.644 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@H]1C ZINC000248394611 474305973 /nfs/dbraw/zinc/30/59/73/474305973.db2.gz FQQGHPDJPPJOIQ-GJYPPUQNSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248407286 474310259 /nfs/dbraw/zinc/31/02/59/474310259.db2.gz CUDSQEJIVOTKIE-RSRIQPTJSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248407286 474310266 /nfs/dbraw/zinc/31/02/66/474310266.db2.gz CUDSQEJIVOTKIE-RSRIQPTJSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407286 474310273 /nfs/dbraw/zinc/31/02/73/474310273.db2.gz CUDSQEJIVOTKIE-RSRIQPTJSA-N 1 3 344.499 2.681 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)N(C)C)cc1 ZINC000236959291 474312240 /nfs/dbraw/zinc/31/22/40/474312240.db2.gz KROGVCVNQUHEMX-VQTJNVASSA-N 1 3 339.483 2.710 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)NC(C)(C)C ZINC000248414477 474313646 /nfs/dbraw/zinc/31/36/46/474313646.db2.gz MSXVDSVRWCWDBU-GDAAHCPNSA-N 1 3 343.515 2.790 20 0 EFADHO CCc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000236975944 474315422 /nfs/dbraw/zinc/31/54/22/474315422.db2.gz UKRLBGNJQRIPRJ-QZNYNHHHSA-N 1 3 343.515 2.889 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)N(C)C)cc1 ZINC000236980752 474316280 /nfs/dbraw/zinc/31/62/80/474316280.db2.gz KROGVCVNQUHEMX-UXHICEINSA-N 1 3 339.483 2.710 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000236979999 474316435 /nfs/dbraw/zinc/31/64/35/474316435.db2.gz NMANNPSZVZBSSK-UZLBHIALSA-N 1 3 345.531 2.994 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236986004 474318407 /nfs/dbraw/zinc/31/84/07/474318407.db2.gz OFWMYRYMJSYOCF-VQIMIIECSA-N 1 3 331.504 2.908 20 0 EFADHO CCOc1ccccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289554675 474321696 /nfs/dbraw/zinc/32/16/96/474321696.db2.gz XZUCEJDNJXKHHS-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@@H+]1C ZINC000183079183 474322515 /nfs/dbraw/zinc/32/25/15/474322515.db2.gz GVCXUMFYFRCAPK-UZLBHIALSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@H+]1C ZINC000183079183 474322524 /nfs/dbraw/zinc/32/25/24/474322524.db2.gz GVCXUMFYFRCAPK-UZLBHIALSA-N 1 3 331.504 2.786 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000237009901 474322788 /nfs/dbraw/zinc/32/27/88/474322788.db2.gz RUGGYAUISJLASA-IAGOWNOFSA-N 1 3 344.503 2.593 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000237010308 474322861 /nfs/dbraw/zinc/32/28/61/474322861.db2.gz RUGGYAUISJLASA-DLBZAZTESA-N 1 3 344.503 2.593 20 0 EFADHO CCN(C(=O)CC1([NH3+])CCC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237047036 474328146 /nfs/dbraw/zinc/32/81/46/474328146.db2.gz GBIFKTFFZOYQGG-WMZOPIPTSA-N 1 3 329.488 2.942 20 0 EFADHO CN(c1ccccc1CN1CC[C@H](O)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000275819734 474330189 /nfs/dbraw/zinc/33/01/89/474330189.db2.gz FADNZSDHGRIYCM-FQEVSTJZSA-N 1 3 345.531 2.810 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C[C@@H]1OC ZINC000248460987 474331957 /nfs/dbraw/zinc/33/19/57/474331957.db2.gz WZWWRZFCLSNXQH-AQNXPRMDSA-N 1 3 346.515 2.937 20 0 EFADHO CC(C)C(=O)NCCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125765 474333712 /nfs/dbraw/zinc/33/37/12/474333712.db2.gz ZMEQYRVXWDDRDC-UFYCRDLUSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125765 474333719 /nfs/dbraw/zinc/33/37/19/474333719.db2.gz ZMEQYRVXWDDRDC-UFYCRDLUSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)C(=O)NCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183125765 474333726 /nfs/dbraw/zinc/33/37/26/474333726.db2.gz ZMEQYRVXWDDRDC-UFYCRDLUSA-N 1 3 343.515 2.649 20 0 EFADHO OCCCSCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000183139604 474336160 /nfs/dbraw/zinc/33/61/60/474336160.db2.gz FYFHRULVMZHNPO-AQNXPRMDSA-N 1 3 348.556 2.992 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183735 474346830 /nfs/dbraw/zinc/34/68/30/474346830.db2.gz UFTSPCJTVKVOIP-UEXGIBASSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2)CC1 ZINC000183183735 474346839 /nfs/dbraw/zinc/34/68/39/474346839.db2.gz UFTSPCJTVKVOIP-UEXGIBASSA-N 1 3 344.547 2.965 20 0 EFADHO CN1CCC[C@H]2C[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000248548703 474353915 /nfs/dbraw/zinc/35/39/15/474353915.db2.gz GWNNWWKWLFVKMD-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000248548703 474353921 /nfs/dbraw/zinc/35/39/21/474353921.db2.gz GWNNWWKWLFVKMD-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000237191061 474354086 /nfs/dbraw/zinc/35/40/86/474354086.db2.gz NLEMZMZNANAFNX-RBUKOAKNSA-N 1 3 325.456 2.886 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248570822 474364265 /nfs/dbraw/zinc/36/42/65/474364265.db2.gz LZEQTYPPKJIAEQ-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248570822 474364273 /nfs/dbraw/zinc/36/42/73/474364273.db2.gz LZEQTYPPKJIAEQ-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248570822 474364279 /nfs/dbraw/zinc/36/42/79/474364279.db2.gz LZEQTYPPKJIAEQ-WSTZPKSXSA-N 1 3 346.515 2.977 20 0 EFADHO Cn1ccnc1[C@@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000183302251 474369962 /nfs/dbraw/zinc/36/99/62/474369962.db2.gz KYSIFIUOBCVEIU-SFHVURJKSA-N 1 3 325.460 2.772 20 0 EFADHO CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237269051 474370836 /nfs/dbraw/zinc/37/08/36/474370836.db2.gz QSXHUIJQYHSJTQ-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CC1CCCCC1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183305215 474372219 /nfs/dbraw/zinc/37/22/19/474372219.db2.gz UZFNKURFXHIMOV-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237277370 474372711 /nfs/dbraw/zinc/37/27/11/474372711.db2.gz KAPVMGRXRFRDBA-CRAIPNDOSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237277370 474372716 /nfs/dbraw/zinc/37/27/16/474372716.db2.gz KAPVMGRXRFRDBA-CRAIPNDOSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237385491 474393009 /nfs/dbraw/zinc/39/30/09/474393009.db2.gz CCBORCUWSHIWLK-MISYRCLQSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@H]1C ZINC000248647046 474393129 /nfs/dbraw/zinc/39/31/29/474393129.db2.gz PRSSXDPARCLKDQ-MDZRGWNJSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000237384294 474393166 /nfs/dbraw/zinc/39/31/66/474393166.db2.gz UIARPAJLCNIQDW-NVXWUHKLSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@H](C(=O)N(CCN(C)C)c1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000237401675 474396078 /nfs/dbraw/zinc/39/60/78/474396078.db2.gz RGPOLIDFKPWECW-QFBILLFUSA-N 1 3 325.456 2.917 20 0 EFADHO C[C@H](CC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237410530 474397563 /nfs/dbraw/zinc/39/75/63/474397563.db2.gz GBNKFCPKLWKBQM-HLIPFELVSA-N 1 3 343.515 2.791 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1([NH+](C)C)CCC1 ZINC000276043561 474398275 /nfs/dbraw/zinc/39/82/75/474398275.db2.gz STJFDHBJVFAMEB-UHFFFAOYSA-N 1 3 329.444 2.709 20 0 EFADHO C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000283444221 474404531 /nfs/dbraw/zinc/40/45/31/474404531.db2.gz HCDHFEAXZFZQGK-VEGGFIAOSA-N 1 3 329.488 2.521 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176198257 474406788 /nfs/dbraw/zinc/40/67/88/474406788.db2.gz VIUAEOBMUFAPET-KRWDZBQOSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176198257 474406795 /nfs/dbraw/zinc/40/67/95/474406795.db2.gz VIUAEOBMUFAPET-KRWDZBQOSA-N 1 3 346.519 2.622 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000237463231 474410564 /nfs/dbraw/zinc/41/05/64/474410564.db2.gz OGMWKTBZKBVSIM-SJORKVTESA-N 1 3 347.503 2.900 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237473051 474412623 /nfs/dbraw/zinc/41/26/23/474412623.db2.gz GMDNFQMUYYNCTE-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237473051 474412631 /nfs/dbraw/zinc/41/26/31/474412631.db2.gz GMDNFQMUYYNCTE-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OCCN(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000237473355 474413041 /nfs/dbraw/zinc/41/30/41/474413041.db2.gz COSNCBBAEPQVRA-CVEARBPZSA-N 1 3 333.476 2.591 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237479299 474414344 /nfs/dbraw/zinc/41/43/44/474414344.db2.gz DVJBBIRAXAETJH-PXNSSMCTSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248734565 474420147 /nfs/dbraw/zinc/42/01/47/474420147.db2.gz BMORACGVMCHPGS-RMVXJAJNSA-N 1 3 345.531 2.596 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237508593 474420180 /nfs/dbraw/zinc/42/01/80/474420180.db2.gz COUFRMVUCNLESZ-SCTDSRPQSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237508593 474420188 /nfs/dbraw/zinc/42/01/88/474420188.db2.gz COUFRMVUCNLESZ-SCTDSRPQSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000183747013 474421894 /nfs/dbraw/zinc/42/18/94/474421894.db2.gz CEUIREUZFLYQET-HRCADAONSA-N 1 3 328.497 2.586 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CC2([NH3+])CCC2)CCN1Cc1ccccc1 ZINC000237527649 474421996 /nfs/dbraw/zinc/42/19/96/474421996.db2.gz DQIZFHCDADOCHW-WMZOPIPTSA-N 1 3 329.488 2.769 20 0 EFADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000248745453 474422346 /nfs/dbraw/zinc/42/23/46/474422346.db2.gz RWXMYRIZIILVKO-OXJNMPFZSA-N 1 3 325.456 2.807 20 0 EFADHO Cc1cncc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248745453 474422353 /nfs/dbraw/zinc/42/23/53/474422353.db2.gz RWXMYRIZIILVKO-OXJNMPFZSA-N 1 3 325.456 2.807 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)CCN1Cc1ccccc1 ZINC000237565968 474429111 /nfs/dbraw/zinc/42/91/11/474429111.db2.gz HGNHFPBHYKNQHW-OXJNMPFZSA-N 1 3 337.467 2.928 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237564464 474429671 /nfs/dbraw/zinc/42/96/71/474429671.db2.gz BKTVZZHIDARJQU-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237562684 474429723 /nfs/dbraw/zinc/42/97/23/474429723.db2.gz LGOCJTOKBGTCTR-QFBILLFUSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237565364 474430212 /nfs/dbraw/zinc/43/02/12/474430212.db2.gz LUYVLTXLBJDTMW-NEWSRXKRSA-N 1 3 329.488 2.640 20 0 EFADHO CCC1(O)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000271187944 474430865 /nfs/dbraw/zinc/43/08/65/474430865.db2.gz KONZCZKPLOWUCC-UHFFFAOYSA-N 1 3 345.531 2.954 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000237592784 474435976 /nfs/dbraw/zinc/43/59/76/474435976.db2.gz OGMWKTBZKBVSIM-IRXDYDNUSA-N 1 3 347.503 2.900 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@H](C)Cc2ccccc2)CC1 ZINC000289808896 474436810 /nfs/dbraw/zinc/43/68/10/474436810.db2.gz SQQNNBKCNUGLMH-LJQANCHMSA-N 1 3 348.531 2.924 20 0 EFADHO C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)N(C)C1CC1 ZINC000176328266 474441688 /nfs/dbraw/zinc/44/16/88/474441688.db2.gz KBFWQDVGQSDYEJ-OAHLLOKOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@]1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCC[NH2+]C1 ZINC000237620139 474442489 /nfs/dbraw/zinc/44/24/89/474442489.db2.gz CFARMJBUGQDGJB-LJQANCHMSA-N 1 3 347.528 2.606 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000176336745 474444727 /nfs/dbraw/zinc/44/47/27/474444727.db2.gz UUYJEXLYLZTFTO-CVEARBPZSA-N 1 3 336.524 2.564 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)N(C)CCN(C)C)CCCC1)c1ccccc1 ZINC000176359233 474450544 /nfs/dbraw/zinc/45/05/44/474450544.db2.gz NPIMONPRCOPUBM-QGZVFWFLSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](CC(=O)NC[C@H]1CCCN1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237657841 474451297 /nfs/dbraw/zinc/45/12/97/474451297.db2.gz XEYCEBQQVPTMRI-YLJYHZDGSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237655328 474451379 /nfs/dbraw/zinc/45/13/79/474451379.db2.gz QTJNJKUUCHZUHS-RLLQIKCJSA-N 1 3 343.515 2.966 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000176382455 474457350 /nfs/dbraw/zinc/45/73/50/474457350.db2.gz FOOWCOOPOPXYDI-APWZRJJASA-N 1 3 348.535 2.519 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000176382503 474457541 /nfs/dbraw/zinc/45/75/41/474457541.db2.gz FOOWCOOPOPXYDI-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCCN2)C1 ZINC000237707882 474461847 /nfs/dbraw/zinc/46/18/47/474461847.db2.gz CSLDWVSKNPCMEJ-ABSDTBQOSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710045 474467913 /nfs/dbraw/zinc/46/79/13/474467913.db2.gz SPJWWIYQQJQINQ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC2(N(C)C)CCC2)C1 ZINC000189710045 474467919 /nfs/dbraw/zinc/46/79/19/474467919.db2.gz SPJWWIYQQJQINQ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248879676 474468812 /nfs/dbraw/zinc/46/88/12/474468812.db2.gz PYRJWZPYVUDDPP-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000248879676 474468820 /nfs/dbraw/zinc/46/88/20/474468820.db2.gz PYRJWZPYVUDDPP-IAGOWNOFSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCN1Cc1ccccc1 ZINC000289905476 474478737 /nfs/dbraw/zinc/47/87/37/474478737.db2.gz NBZSAJWJLFDAEY-ZAWLATJESA-N 1 3 329.488 2.544 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237868288 474489431 /nfs/dbraw/zinc/48/94/31/474489431.db2.gz JHGWNROIFHBDDY-HZPDHXFCSA-N 1 3 335.517 2.594 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283784838 474496006 /nfs/dbraw/zinc/49/60/06/474496006.db2.gz RXZZLPHQFIQJTE-XJKSGUPXSA-N 1 3 340.899 2.582 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000237898620 474497680 /nfs/dbraw/zinc/49/76/80/474497680.db2.gz GYPMAQOIQXQQRG-QFBILLFUSA-N 1 3 329.488 2.806 20 0 EFADHO [NH3+]C1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCCCC1 ZINC000237910081 474501106 /nfs/dbraw/zinc/50/11/06/474501106.db2.gz HNQCHHJJJROPCM-UHFFFAOYSA-N 1 3 339.549 2.516 20 0 EFADHO NC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCCCC1 ZINC000237930383 474506492 /nfs/dbraw/zinc/50/64/92/474506492.db2.gz AHJZKJDKNVBVCL-UHFFFAOYSA-N 1 3 329.488 2.950 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176610602 474508059 /nfs/dbraw/zinc/50/80/59/474508059.db2.gz GZCLXBMEKDPCOK-MOPGFXCFSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(OC)c1 ZINC000289976770 474509391 /nfs/dbraw/zinc/50/93/91/474509391.db2.gz QJOJOFONQMDLTL-LZQZEXGQSA-N 1 3 347.503 2.582 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000237958944 474510675 /nfs/dbraw/zinc/51/06/75/474510675.db2.gz RAZHBWMGFWWRJC-QGZVFWFLSA-N 1 3 349.544 2.856 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCO)C1CCN(C)CC1 ZINC000189934099 474511892 /nfs/dbraw/zinc/51/18/92/474511892.db2.gz HLYQEMOGZMLQNU-XLIONFOSSA-N 1 3 345.531 2.858 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000237965273 474513324 /nfs/dbraw/zinc/51/33/24/474513324.db2.gz PMRRCJMVMCNZSW-LJQANCHMSA-N 1 3 329.488 2.720 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000237970754 474514179 /nfs/dbraw/zinc/51/41/79/474514179.db2.gz GSMQGZGOJVQQHF-INIZCTEOSA-N 1 3 343.496 2.849 20 0 EFADHO CCN(C)C(=O)CCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189955745 474518057 /nfs/dbraw/zinc/51/80/57/474518057.db2.gz AFCLKHCPOLXPIQ-IAGOWNOFSA-N 1 3 331.504 2.601 20 0 EFADHO NC[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000238019642 474522712 /nfs/dbraw/zinc/52/27/12/474522712.db2.gz BXDSTUOAJWFLKQ-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000238019901 474522776 /nfs/dbraw/zinc/52/27/76/474522776.db2.gz VSMVEWCNBUGHEP-HXUWFJFHSA-N 1 3 337.467 2.510 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000249089937 474523292 /nfs/dbraw/zinc/52/32/92/474523292.db2.gz NTZMYOKHTYXBAV-FUHIMQAGSA-N 1 3 338.536 2.749 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccnc(Cl)c2)[C@H](C)C1 ZINC000189992351 474529542 /nfs/dbraw/zinc/52/95/42/474529542.db2.gz DIQMFAQHUGSZHI-ZBFHGGJFSA-N 1 3 325.884 2.962 20 0 EFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000266918342 474530981 /nfs/dbraw/zinc/53/09/81/474530981.db2.gz XYJQDILDOBZOOD-ZDUSSCGKSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000290027135 474532462 /nfs/dbraw/zinc/53/24/62/474532462.db2.gz NCRIUIARMDXXKX-MJGOQNOKSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000290027135 474532467 /nfs/dbraw/zinc/53/24/67/474532467.db2.gz NCRIUIARMDXXKX-MJGOQNOKSA-N 1 3 326.488 2.948 20 0 EFADHO COC[C@H](O)C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000623015295 480110502 /nfs/dbraw/zinc/11/05/02/480110502.db2.gz WFMCUJSBDPTPKK-UYAOXDASSA-N 1 3 334.504 2.522 20 0 EFADHO COC[C@H](O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000623015295 480110506 /nfs/dbraw/zinc/11/05/06/480110506.db2.gz WFMCUJSBDPTPKK-UYAOXDASSA-N 1 3 334.504 2.522 20 0 EFADHO COC[C@H](O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000623015295 480110510 /nfs/dbraw/zinc/11/05/10/480110510.db2.gz WFMCUJSBDPTPKK-UYAOXDASSA-N 1 3 334.504 2.522 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(OCCN(C)C)c1 ZINC000271427454 474541925 /nfs/dbraw/zinc/54/19/25/474541925.db2.gz BLOPURLAHBZCOU-MRXNPFEDSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H]1CN(CCN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000249203504 474545183 /nfs/dbraw/zinc/54/51/83/474545183.db2.gz ARFGMZKXJVSBBB-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO C[C@H]1CN(CCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000249203504 474545187 /nfs/dbraw/zinc/54/51/87/474545187.db2.gz ARFGMZKXJVSBBB-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000276453440 474548560 /nfs/dbraw/zinc/54/85/60/474548560.db2.gz UTDWNUTYUMMVPV-AZUAARDMSA-N 1 3 328.504 2.867 20 0 EFADHO CCN1CCN(c2cccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)CC1 ZINC000276453440 474548564 /nfs/dbraw/zinc/54/85/64/474548564.db2.gz UTDWNUTYUMMVPV-AZUAARDMSA-N 1 3 328.504 2.867 20 0 EFADHO CC[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000284011466 474549879 /nfs/dbraw/zinc/54/98/79/474549879.db2.gz IEGZPWXQVYQMDQ-ZWKOTPCHSA-N 1 3 338.517 2.584 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000284011466 474549883 /nfs/dbraw/zinc/54/98/83/474549883.db2.gz IEGZPWXQVYQMDQ-ZWKOTPCHSA-N 1 3 338.517 2.584 20 0 EFADHO CCN1CCC(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266984064 474556147 /nfs/dbraw/zinc/55/61/47/474556147.db2.gz UDCQNFNLGZJMQO-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266984064 474556151 /nfs/dbraw/zinc/55/61/51/474556151.db2.gz UDCQNFNLGZJMQO-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CN1C1CC1 ZINC000284042845 474557994 /nfs/dbraw/zinc/55/79/94/474557994.db2.gz OVKCCFPWVRZRCD-WMZOPIPTSA-N 1 3 343.515 2.874 20 0 EFADHO Cc1ccccc1C[C@@H]([NH2+]CCCN1CCCN(C)CC1)C1CC1 ZINC000284087806 474568831 /nfs/dbraw/zinc/56/88/31/474568831.db2.gz BIPKRNXSHGOCBY-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000284105507 474573628 /nfs/dbraw/zinc/57/36/28/474573628.db2.gz MZKUPLRUCHFCCW-LJQANCHMSA-N 1 3 331.504 2.777 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000284105502 474573955 /nfs/dbraw/zinc/57/39/55/474573955.db2.gz MZKUPLRUCHFCCW-IBGZPJMESA-N 1 3 331.504 2.777 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cn[nH]c3)CC2)c1 ZINC000284105544 474574042 /nfs/dbraw/zinc/57/40/42/474574042.db2.gz MZYCANNUTCGXMR-GOSISDBHSA-N 1 3 341.503 2.971 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000271517185 474579622 /nfs/dbraw/zinc/57/96/22/474579622.db2.gz OZHXZEMNTQGAHA-QMIHWGKISA-N 1 3 349.494 2.920 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(O)c1 ZINC000249649563 474602179 /nfs/dbraw/zinc/60/21/79/474602179.db2.gz YLMGLFTTWZOOSL-FOIQADDNSA-N 1 3 326.440 2.810 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(O)c1 ZINC000249649563 474602184 /nfs/dbraw/zinc/60/21/84/474602184.db2.gz YLMGLFTTWZOOSL-FOIQADDNSA-N 1 3 326.440 2.810 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000249793227 474616989 /nfs/dbraw/zinc/61/69/89/474616989.db2.gz VYBZEFFBMXXJTQ-HOTGVXAUSA-N 1 3 332.492 2.990 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000249793227 474616994 /nfs/dbraw/zinc/61/69/94/474616994.db2.gz VYBZEFFBMXXJTQ-HOTGVXAUSA-N 1 3 332.492 2.990 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000284348360 474624694 /nfs/dbraw/zinc/62/46/94/474624694.db2.gz MEDVQLDVEKKWDO-MOPGFXCFSA-N 1 3 343.515 2.876 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000284348360 474624700 /nfs/dbraw/zinc/62/47/00/474624700.db2.gz MEDVQLDVEKKWDO-MOPGFXCFSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)cc1 ZINC000267244127 474626841 /nfs/dbraw/zinc/62/68/41/474626841.db2.gz NCMSZCKDWIOPRI-LBPRGKRZSA-N 1 3 327.266 2.556 20 0 EFADHO COc1ccc([C@H](O)C2CC[NH+](CC[C@H]3CCCN3C)CC2)cc1 ZINC000291631983 474635994 /nfs/dbraw/zinc/63/59/94/474635994.db2.gz DHLMCENHNDRNPJ-QUCCMNQESA-N 1 3 332.488 2.925 20 0 EFADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1=CC[N@H+](C)CC1 ZINC000272984579 474658148 /nfs/dbraw/zinc/65/81/48/474658148.db2.gz PKSNBFRWMJSKJL-CQSZACIVSA-N 1 3 341.455 2.875 20 0 EFADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1=CC[N@@H+](C)CC1 ZINC000272984579 474658151 /nfs/dbraw/zinc/65/81/51/474658151.db2.gz PKSNBFRWMJSKJL-CQSZACIVSA-N 1 3 341.455 2.875 20 0 EFADHO [NH3+][C@@H](CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000304913120 474666313 /nfs/dbraw/zinc/66/63/13/474666313.db2.gz KVILQYPZDCOUJY-UXHICEINSA-N 1 3 337.467 2.857 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)C23CCCN2CCC3)cc1 ZINC000278513949 474673723 /nfs/dbraw/zinc/67/37/23/474673723.db2.gz BTNUDJMMMPPBQL-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000305075966 474682417 /nfs/dbraw/zinc/68/24/17/474682417.db2.gz NUVMFRWIFPIFAP-MJGOQNOKSA-N 1 3 326.525 2.749 20 0 EFADHO CC(C)OC[C@@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000305075966 474682424 /nfs/dbraw/zinc/68/24/24/474682424.db2.gz NUVMFRWIFPIFAP-MJGOQNOKSA-N 1 3 326.525 2.749 20 0 EFADHO CCN(C)c1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000253352433 474722500 /nfs/dbraw/zinc/72/25/00/474722500.db2.gz OPDOYVNYNRKTAX-IRXDYDNUSA-N 1 3 334.508 2.517 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000340858863 474723775 /nfs/dbraw/zinc/72/37/75/474723775.db2.gz LJRGPIDRRKCOBX-OALUTQOASA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000340858863 474723786 /nfs/dbraw/zinc/72/37/86/474723786.db2.gz LJRGPIDRRKCOBX-OALUTQOASA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CN1C1CC1 ZINC000267999918 474745811 /nfs/dbraw/zinc/74/58/11/474745811.db2.gz RWIMKELWHCLKFE-QFBILLFUSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000273172553 474756219 /nfs/dbraw/zinc/75/62/19/474756219.db2.gz FEJAUGASFLPAPC-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000273172553 474756230 /nfs/dbraw/zinc/75/62/30/474756230.db2.gz FEJAUGASFLPAPC-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCC(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000291958902 474773474 /nfs/dbraw/zinc/77/34/74/474773474.db2.gz FNTBMGSLYTZHEU-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000291958902 474773481 /nfs/dbraw/zinc/77/34/81/474773481.db2.gz FNTBMGSLYTZHEU-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000273207588 474777413 /nfs/dbraw/zinc/77/74/13/474777413.db2.gz KXTWCYDQAPLPCM-HNNXBMFYSA-N 1 3 335.492 2.869 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717175 474785582 /nfs/dbraw/zinc/78/55/82/474785582.db2.gz BXAROSLUIJMSFX-ZWKOTPCHSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717175 474785590 /nfs/dbraw/zinc/78/55/90/474785590.db2.gz BXAROSLUIJMSFX-ZWKOTPCHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000623055009 480126314 /nfs/dbraw/zinc/12/63/14/480126314.db2.gz FQZDHSRHMDWYCX-MSOLQXFVSA-N 1 3 330.476 2.887 20 0 EFADHO CC[N@H+](CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C(C)C ZINC000338981806 474801349 /nfs/dbraw/zinc/80/13/49/474801349.db2.gz QCRSKBWLICRILS-UHFFFAOYSA-N 1 3 348.535 2.927 20 0 EFADHO CC[N@@H+](CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1)C(C)C ZINC000338981806 474801364 /nfs/dbraw/zinc/80/13/64/474801364.db2.gz QCRSKBWLICRILS-UHFFFAOYSA-N 1 3 348.535 2.927 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884661 474812342 /nfs/dbraw/zinc/81/23/42/474812342.db2.gz REBINVNBQFQTLI-RNQOJCNYSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884661 474812352 /nfs/dbraw/zinc/81/23/52/474812352.db2.gz REBINVNBQFQTLI-RNQOJCNYSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884661 474812359 /nfs/dbraw/zinc/81/23/59/474812359.db2.gz REBINVNBQFQTLI-RNQOJCNYSA-N 1 3 331.504 2.521 20 0 EFADHO O[C@H](C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000307935261 474813727 /nfs/dbraw/zinc/81/37/27/474813727.db2.gz KQTALYRNCLPVAY-IKGGRYGDSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000307935261 474813734 /nfs/dbraw/zinc/81/37/34/474813734.db2.gz KQTALYRNCLPVAY-IKGGRYGDSA-N 1 3 342.405 2.754 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)CC(C)C ZINC000340953534 474813970 /nfs/dbraw/zinc/81/39/70/474813970.db2.gz CFVYPMOBRHDKTE-ZACQAIPSSA-N 1 3 326.529 2.525 20 0 EFADHO CN(C)Cc1cccc(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000623068608 480127700 /nfs/dbraw/zinc/12/77/00/480127700.db2.gz FHMPQAFWZRYOQC-HNNXBMFYSA-N 1 3 339.443 2.603 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340963241 474825067 /nfs/dbraw/zinc/82/50/67/474825067.db2.gz IZVWPGLZBLWLJF-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340963241 474825074 /nfs/dbraw/zinc/82/50/74/474825074.db2.gz IZVWPGLZBLWLJF-MHORFTMASA-N 1 3 338.540 2.526 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000340965046 474826794 /nfs/dbraw/zinc/82/67/94/474826794.db2.gz SPEFNMQHDIFOPK-IRXDYDNUSA-N 1 3 326.529 2.526 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000310971176 474834439 /nfs/dbraw/zinc/83/44/39/474834439.db2.gz DIIBXSLGQKJKJP-UYAOXDASSA-N 1 3 343.515 2.795 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311207199 474836060 /nfs/dbraw/zinc/83/60/60/474836060.db2.gz JTYAGALYIUGWNT-PCCBWWKXSA-N 1 3 346.515 2.618 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311207199 474836064 /nfs/dbraw/zinc/83/60/64/474836064.db2.gz JTYAGALYIUGWNT-PCCBWWKXSA-N 1 3 346.515 2.618 20 0 EFADHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000337270682 474845719 /nfs/dbraw/zinc/84/57/19/474845719.db2.gz NDGHKRAISOHYOD-UHFFFAOYSA-N 1 3 325.403 2.711 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000337270682 474845725 /nfs/dbraw/zinc/84/57/25/474845725.db2.gz NDGHKRAISOHYOD-UHFFFAOYSA-N 1 3 325.403 2.711 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976882 474849300 /nfs/dbraw/zinc/84/93/00/474849300.db2.gz XOGYECMJVVKNBF-LPOYBJAFSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976882 474849305 /nfs/dbraw/zinc/84/93/05/474849305.db2.gz XOGYECMJVVKNBF-LPOYBJAFSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976882 474849312 /nfs/dbraw/zinc/84/93/12/474849312.db2.gz XOGYECMJVVKNBF-LPOYBJAFSA-N 1 3 345.531 2.767 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N(C)C ZINC000278816672 474850205 /nfs/dbraw/zinc/85/02/05/474850205.db2.gz PCDKUXQGDZZGQQ-BEFAXECRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000268227873 474875112 /nfs/dbraw/zinc/87/51/12/474875112.db2.gz RSNXQLBAYJGASF-SUMWQHHRSA-N 1 3 341.455 2.707 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000317390464 474887377 /nfs/dbraw/zinc/88/73/77/474887377.db2.gz JWDQPILJNCLMRS-KWCYVHTRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000317390464 474887383 /nfs/dbraw/zinc/88/73/83/474887383.db2.gz JWDQPILJNCLMRS-KWCYVHTRSA-N 1 3 347.286 2.805 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268256880 474890306 /nfs/dbraw/zinc/89/03/06/474890306.db2.gz ROFWUTIEARFKJP-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000292203029 474902655 /nfs/dbraw/zinc/90/26/55/474902655.db2.gz YJHZYCWZYPXBIF-HZPDHXFCSA-N 1 3 335.517 2.609 20 0 EFADHO CC(C)[C@@H](CNC(=O)NCCN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000337331952 474905607 /nfs/dbraw/zinc/90/56/07/474905607.db2.gz IWJGNTLOIMYMTR-GOSISDBHSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1[C@@H](O)CC ZINC000255905303 474916471 /nfs/dbraw/zinc/91/64/71/474916471.db2.gz MSPMNRDBBPTJBM-LRGIPTKHSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1[C@@H](O)CC ZINC000255905303 474916478 /nfs/dbraw/zinc/91/64/78/474916478.db2.gz MSPMNRDBBPTJBM-LRGIPTKHSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000255905303 474916486 /nfs/dbraw/zinc/91/64/86/474916486.db2.gz MSPMNRDBBPTJBM-LRGIPTKHSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000255905303 474916499 /nfs/dbraw/zinc/91/64/99/474916499.db2.gz MSPMNRDBBPTJBM-LRGIPTKHSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000337344434 474917113 /nfs/dbraw/zinc/91/71/13/474917113.db2.gz KJMHEUQHJNBSTD-AEFFLSMTSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000337350909 474924032 /nfs/dbraw/zinc/92/40/32/474924032.db2.gz UHSUCIAHWPKLBT-FUHWJXTLSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000337354699 474931974 /nfs/dbraw/zinc/93/19/74/474931974.db2.gz DFEYVDDSFWTOAV-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000337354699 474931981 /nfs/dbraw/zinc/93/19/81/474931981.db2.gz DFEYVDDSFWTOAV-ROUUACIJSA-N 1 3 338.540 2.672 20 0 EFADHO COc1ccc(C[NH2+]CCCN(C)CCN(C)C)c2ccccc12 ZINC000623088609 480134875 /nfs/dbraw/zinc/13/48/75/480134875.db2.gz VOQMXJJDIDEXKR-UHFFFAOYSA-N 1 3 329.488 2.822 20 0 EFADHO CC(C)[C@H](CCO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268362353 474941222 /nfs/dbraw/zinc/94/12/22/474941222.db2.gz QBECQAKGBXAHFC-IBGZPJMESA-N 1 3 333.520 2.714 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000278980728 474954365 /nfs/dbraw/zinc/95/43/65/474954365.db2.gz YNGOPFOAFHGTKE-HKUYNNGSSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000278980728 474954371 /nfs/dbraw/zinc/95/43/71/474954371.db2.gz YNGOPFOAFHGTKE-HKUYNNGSSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000278980728 474954380 /nfs/dbraw/zinc/95/43/80/474954380.db2.gz YNGOPFOAFHGTKE-HKUYNNGSSA-N 1 3 341.499 2.784 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CNCC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC000268449510 474984394 /nfs/dbraw/zinc/98/43/94/474984394.db2.gz VQCWSLGUWPNCFW-UHFFFAOYSA-N 1 3 342.487 2.710 20 0 EFADHO CN(C(=O)CCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261576286 474985548 /nfs/dbraw/zinc/98/55/48/474985548.db2.gz NPWGBXWSRAIONJ-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000261577714 474985650 /nfs/dbraw/zinc/98/56/50/474985650.db2.gz ONCJSSNLMFEMGC-HMXCVIKNSA-N 1 3 345.531 2.645 20 0 EFADHO CCN1CCC(NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000337420272 474997872 /nfs/dbraw/zinc/99/78/72/474997872.db2.gz UFIHEJVNBOKFRW-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000337420272 474997879 /nfs/dbraw/zinc/99/78/79/474997879.db2.gz UFIHEJVNBOKFRW-CALCHBBNSA-N 1 3 338.540 2.528 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000326347756 475004199 /nfs/dbraw/zinc/00/41/99/475004199.db2.gz NIKPFTMZDFVNCU-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc3c(c2)CNC3)CC1 ZINC000326347756 475004206 /nfs/dbraw/zinc/00/42/06/475004206.db2.gz NIKPFTMZDFVNCU-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO COc1cccc(CN(C[C@H]2CCC[NH2+]C2)C2CCC(O)CC2)c1 ZINC000261648447 475010665 /nfs/dbraw/zinc/01/06/65/475010665.db2.gz AXISZWASFKPIPR-VIQWUECVSA-N 1 3 332.488 2.800 20 0 EFADHO COc1cccc(C[N@H+](C[C@H]2CCCNC2)C2CCC(O)CC2)c1 ZINC000261648447 475010672 /nfs/dbraw/zinc/01/06/72/475010672.db2.gz AXISZWASFKPIPR-VIQWUECVSA-N 1 3 332.488 2.800 20 0 EFADHO COc1cccc(C[N@@H+](C[C@H]2CCCNC2)C2CCC(O)CC2)c1 ZINC000261648447 475010678 /nfs/dbraw/zinc/01/06/78/475010678.db2.gz AXISZWASFKPIPR-VIQWUECVSA-N 1 3 332.488 2.800 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000341135731 475013614 /nfs/dbraw/zinc/01/36/14/475013614.db2.gz HMQHCYQDFVEJRL-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000341135731 475013621 /nfs/dbraw/zinc/01/36/21/475013621.db2.gz HMQHCYQDFVEJRL-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000273688600 475014095 /nfs/dbraw/zinc/01/40/95/475014095.db2.gz HXEKASAONMWMOU-PXNSSMCTSA-N 1 3 339.487 2.792 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000273688600 475014104 /nfs/dbraw/zinc/01/41/04/475014104.db2.gz HXEKASAONMWMOU-PXNSSMCTSA-N 1 3 339.487 2.792 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000341135728 475014113 /nfs/dbraw/zinc/01/41/13/475014113.db2.gz HMQHCYQDFVEJRL-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000341135728 475014123 /nfs/dbraw/zinc/01/41/23/475014123.db2.gz HMQHCYQDFVEJRL-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000261663390 475014838 /nfs/dbraw/zinc/01/48/38/475014838.db2.gz GJIHJAUZRALDCK-SJLPKXTDSA-N 1 3 331.504 2.921 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337439996 475019693 /nfs/dbraw/zinc/01/96/93/475019693.db2.gz YBUPSIIWRARTSG-CVEARBPZSA-N 1 3 333.467 2.543 20 0 EFADHO CCc1nocc1CNCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000339190636 475021821 /nfs/dbraw/zinc/02/18/21/475021821.db2.gz UXOGBEYAOPQGLT-UHFFFAOYSA-N 1 3 342.487 2.664 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCC[C@H]1C ZINC000337447681 475028407 /nfs/dbraw/zinc/02/84/07/475028407.db2.gz CVAOCEJYPCLSJO-RTBURBONSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCC[C@H]1C ZINC000337447681 475028411 /nfs/dbraw/zinc/02/84/11/475028411.db2.gz CVAOCEJYPCLSJO-RTBURBONSA-N 1 3 325.541 2.540 20 0 EFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)OCCO2 ZINC000261701953 475030665 /nfs/dbraw/zinc/03/06/65/475030665.db2.gz OWBGSUUOBDHMCW-RCCFBDPRSA-N 1 3 330.472 2.901 20 0 EFADHO c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)OCCO2 ZINC000261701953 475030677 /nfs/dbraw/zinc/03/06/77/475030677.db2.gz OWBGSUUOBDHMCW-RCCFBDPRSA-N 1 3 330.472 2.901 20 0 EFADHO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCN(Cc2ccccc2)CC1 ZINC000261712618 475035836 /nfs/dbraw/zinc/03/58/36/475035836.db2.gz JGYSCVMHMFBSJN-PKOBYXMFSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCN1Cc1ccccc1 ZINC000261722566 475038061 /nfs/dbraw/zinc/03/80/61/475038061.db2.gz KFOOFUIRBFWTRC-QXCFHYIPSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261751720 475049116 /nfs/dbraw/zinc/04/91/16/475049116.db2.gz HGDJPRGXXVBXFH-AOIWGVFYSA-N 1 3 329.488 2.545 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000261751877 475049453 /nfs/dbraw/zinc/04/94/53/475049453.db2.gz HKJKTWBYFOCYQD-KRWDZBQOSA-N 1 3 347.528 2.606 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccc(CCN2CCSCC2)cc1 ZINC000261751880 475050079 /nfs/dbraw/zinc/05/00/79/475050079.db2.gz HKJKTWBYFOCYQD-QGZVFWFLSA-N 1 3 347.528 2.606 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C[C@H]1OC ZINC000337481240 475056634 /nfs/dbraw/zinc/05/66/34/475056634.db2.gz VVZDDEVOBKDYNP-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO CC[NH2+]CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000261782080 475060880 /nfs/dbraw/zinc/06/08/80/475060880.db2.gz FLGLDZOPZZZTBR-UHFFFAOYSA-N 1 3 333.867 2.742 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCCN(C)CC1)CCC2 ZINC000268914932 475068699 /nfs/dbraw/zinc/06/86/99/475068699.db2.gz UWQSRVUTHIXTQR-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000261812056 475070910 /nfs/dbraw/zinc/07/09/10/475070910.db2.gz LWHNOGPQACDRBN-RKVPGOIHSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000261813489 475073381 /nfs/dbraw/zinc/07/33/81/475073381.db2.gz HEORYSAPMJODFS-LPHOPBHVSA-N 1 3 347.503 2.584 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1conc1Cc1ccccc1 ZINC000339246886 475076538 /nfs/dbraw/zinc/07/65/38/475076538.db2.gz FVTRGEVMRVDJQP-IBGZPJMESA-N 1 3 343.471 2.592 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1conc1Cc1ccccc1 ZINC000339246886 475076544 /nfs/dbraw/zinc/07/65/44/475076544.db2.gz FVTRGEVMRVDJQP-IBGZPJMESA-N 1 3 343.471 2.592 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261848997 475085813 /nfs/dbraw/zinc/08/58/13/475085813.db2.gz VDFLYCVOEXJMTI-UXHICEINSA-N 1 3 337.467 2.563 20 0 EFADHO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000341505963 475097662 /nfs/dbraw/zinc/09/76/62/475097662.db2.gz TVSULNRTPRWMDU-GJZGRUSLSA-N 1 3 329.479 2.959 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)C[C@H](N)c2ccccc2)c1 ZINC000261880949 475098163 /nfs/dbraw/zinc/09/81/63/475098163.db2.gz MLLRWPFVSOISGF-SFHVURJKSA-N 1 3 327.428 2.656 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(C4CC4)C3)CC2)CC1 ZINC000337531295 475100165 /nfs/dbraw/zinc/10/01/65/475100165.db2.gz VKBICNGUPMADEM-ADKAHSJRSA-N 1 3 348.535 2.565 20 0 EFADHO CCOc1ccc([C@@H](C)[NH2+]CC2(O)CCN(C)CC2)cc1OCC ZINC000268975834 475104315 /nfs/dbraw/zinc/10/43/15/475104315.db2.gz JEFHIIIZOKOHLT-OAHLLOKOSA-N 1 3 336.476 2.591 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261922928 475115146 /nfs/dbraw/zinc/11/51/46/475115146.db2.gz KRSBCQIQHPNWLO-ZWKOTPCHSA-N 1 3 344.503 2.828 20 0 EFADHO Cc1ccc([C@H](O)CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000268996073 475118400 /nfs/dbraw/zinc/11/84/00/475118400.db2.gz NSAZAGPTTQWCKR-CRAIPNDOSA-N 1 3 332.444 2.913 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000287377055 475120899 /nfs/dbraw/zinc/12/08/99/475120899.db2.gz UEZDUSRQQIELLD-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000269001289 475121272 /nfs/dbraw/zinc/12/12/72/475121272.db2.gz PFVSUUPQQPECEO-HNNXBMFYSA-N 1 3 341.293 2.947 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000337571658 475139207 /nfs/dbraw/zinc/13/92/07/475139207.db2.gz RMSNUSIMPWNYNG-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000262001037 475143850 /nfs/dbraw/zinc/14/38/50/475143850.db2.gz PSGUZBRRBDTXCC-SJORKVTESA-N 1 3 331.504 2.882 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000287430643 475144052 /nfs/dbraw/zinc/14/40/52/475144052.db2.gz ZDSPLPDDWWPNIG-ZZJWQFMZSA-N 1 3 344.503 2.556 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000287430643 475144057 /nfs/dbraw/zinc/14/40/57/475144057.db2.gz ZDSPLPDDWWPNIG-ZZJWQFMZSA-N 1 3 344.503 2.556 20 0 EFADHO Cn1cc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053881 475150543 /nfs/dbraw/zinc/15/05/43/475150543.db2.gz RQJCXXSXBYTMJX-SFTDATJTSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1cc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053881 475150550 /nfs/dbraw/zinc/15/05/50/475150550.db2.gz RQJCXXSXBYTMJX-SFTDATJTSA-N 1 3 338.499 2.949 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000269069386 475158946 /nfs/dbraw/zinc/15/89/46/475158946.db2.gz WNDLZRRZWXODFD-LLVKDONJSA-N 1 3 345.256 2.696 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262077129 475164562 /nfs/dbraw/zinc/16/45/62/475164562.db2.gz AKPGGJJOTZFDLP-GOSISDBHSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000269089246 475168084 /nfs/dbraw/zinc/16/80/84/475168084.db2.gz QDIMVACZZHBONR-IWMITWMQSA-N 1 3 340.467 2.936 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296038958 475174592 /nfs/dbraw/zinc/17/45/92/475174592.db2.gz UDGZWMPNVLVTRV-RLAWYHOSSA-N 1 3 336.867 2.667 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296038958 475174597 /nfs/dbraw/zinc/17/45/97/475174597.db2.gz UDGZWMPNVLVTRV-RLAWYHOSSA-N 1 3 336.867 2.667 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296038955 475175024 /nfs/dbraw/zinc/17/50/24/475175024.db2.gz UDGZWMPNVLVTRV-FUDCBSFHSA-N 1 3 336.867 2.667 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296038955 475175032 /nfs/dbraw/zinc/17/50/32/475175032.db2.gz UDGZWMPNVLVTRV-FUDCBSFHSA-N 1 3 336.867 2.667 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc1OC ZINC000341598125 475175294 /nfs/dbraw/zinc/17/52/94/475175294.db2.gz OVFFQMHDDHLKFM-NVXWUHKLSA-N 1 3 336.476 2.855 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCN2C)cc1OC ZINC000341598124 475175414 /nfs/dbraw/zinc/17/54/14/475175414.db2.gz OVFFQMHDDHLKFM-DOTOQJQBSA-N 1 3 336.476 2.855 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000262152781 475185315 /nfs/dbraw/zinc/18/53/15/475185315.db2.gz ZASNJQAQHMYRCM-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1ccc(CN2CCC(OCCC[NH3+])CC2)c(-c2ccnn2C)c1 ZINC000339405564 475196862 /nfs/dbraw/zinc/19/68/62/475196862.db2.gz CAYYTPZBRVQZCI-UHFFFAOYSA-N 1 3 342.487 2.725 20 0 EFADHO N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000262213145 475200072 /nfs/dbraw/zinc/20/00/72/475200072.db2.gz LFIPOOVPKCRECC-SJORKVTESA-N 1 3 343.496 2.571 20 0 EFADHO C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N(C)Cc1ccccc1 ZINC000262238631 475205942 /nfs/dbraw/zinc/20/59/42/475205942.db2.gz HNQWNJNPMLJMSB-SNBYJETDSA-N 1 3 343.515 2.777 20 0 EFADHO CC1CCC(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)CC1 ZINC000262247346 475207855 /nfs/dbraw/zinc/20/78/55/475207855.db2.gz IGJPPHKPUGXFKR-CQMOGXOGSA-N 1 3 347.547 2.863 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339440083 475218968 /nfs/dbraw/zinc/21/89/68/475218968.db2.gz XKDRYCQKOFYIDG-LJQANCHMSA-N 1 3 333.451 2.880 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339440083 475218970 /nfs/dbraw/zinc/21/89/70/475218970.db2.gz XKDRYCQKOFYIDG-LJQANCHMSA-N 1 3 333.451 2.880 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCN1Cc1ccccc1 ZINC000262346837 475223225 /nfs/dbraw/zinc/22/32/25/475223225.db2.gz GUJCECRGXOZUHV-HNJRGHQBSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262385072 475229376 /nfs/dbraw/zinc/22/93/76/475229376.db2.gz NMMZJGZUMLAWKT-BOFXEDATSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000296230371 475231744 /nfs/dbraw/zinc/23/17/44/475231744.db2.gz CFDZKVKXVMZRSJ-VQIMIIECSA-N 1 3 329.488 2.716 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]12 ZINC000262437629 475240596 /nfs/dbraw/zinc/24/05/96/475240596.db2.gz GMJQEGSTKOSHRW-MPKXVKKWSA-N 1 3 342.270 2.991 20 0 EFADHO CCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262441571 475241382 /nfs/dbraw/zinc/24/13/82/475241382.db2.gz UZLNXPCOWKTUBQ-JTDSTZFVSA-N 1 3 329.488 2.526 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173262 475245162 /nfs/dbraw/zinc/24/51/62/475245162.db2.gz DKGVTTOMNQIYDV-FRQCXROJSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173262 475245169 /nfs/dbraw/zinc/24/51/69/475245169.db2.gz DKGVTTOMNQIYDV-FRQCXROJSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)C1 ZINC000361173262 475245177 /nfs/dbraw/zinc/24/51/77/475245177.db2.gz DKGVTTOMNQIYDV-FRQCXROJSA-N 1 3 348.510 2.568 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000341714422 475245415 /nfs/dbraw/zinc/24/54/15/475245415.db2.gz SROZHPPRKYHHRF-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357925480 475265936 /nfs/dbraw/zinc/26/59/36/475265936.db2.gz VRBYGHAGZZTURN-ZHALLVOQSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357925480 475265941 /nfs/dbraw/zinc/26/59/41/475265941.db2.gz VRBYGHAGZZTURN-ZHALLVOQSA-N 1 3 346.519 2.535 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296328050 475270423 /nfs/dbraw/zinc/27/04/23/475270423.db2.gz HOLYFCHSCKEAOE-HOTGVXAUSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296328050 475270430 /nfs/dbraw/zinc/27/04/30/475270430.db2.gz HOLYFCHSCKEAOE-HOTGVXAUSA-N 1 3 329.488 2.818 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC1CCN(CC)CC1)[NH+]1CCCC1 ZINC000339521346 475270997 /nfs/dbraw/zinc/27/09/97/475270997.db2.gz NRXLRZJDGJMJRR-SFHVURJKSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296328057 475271614 /nfs/dbraw/zinc/27/16/14/475271614.db2.gz HOLYFCHSCKEAOE-JKSUJKDBSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296328057 475271617 /nfs/dbraw/zinc/27/16/17/475271617.db2.gz HOLYFCHSCKEAOE-JKSUJKDBSA-N 1 3 329.488 2.818 20 0 EFADHO CCN1CCC(NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CC1 ZINC000361219174 475279237 /nfs/dbraw/zinc/27/92/37/475279237.db2.gz BENAGGUHMYWNPV-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)[C@H](C)C1 ZINC000361221350 475280483 /nfs/dbraw/zinc/28/04/83/475280483.db2.gz RQAFUYCLOLJHKA-HBFSDRIKSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354598906 475280408 /nfs/dbraw/zinc/28/04/08/475280408.db2.gz LCPAYPDJJXYKDX-OTWHNJEPSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354598906 475280415 /nfs/dbraw/zinc/28/04/15/475280415.db2.gz LCPAYPDJJXYKDX-OTWHNJEPSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000361222377 475282300 /nfs/dbraw/zinc/28/23/00/475282300.db2.gz YYMAMJIXALLLOU-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC000296361879 475282515 /nfs/dbraw/zinc/28/25/15/475282515.db2.gz JOGLDURYSYCFDQ-YJBOKZPZSA-N 1 3 335.492 2.582 20 0 EFADHO COC1CCN(C2(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CCCC2)CC1 ZINC000361229427 475287057 /nfs/dbraw/zinc/28/70/57/475287057.db2.gz AHWHTUZZWDQLBC-ZHALLVOQSA-N 1 3 337.552 2.728 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000339557503 475305284 /nfs/dbraw/zinc/30/52/84/475305284.db2.gz RTFLYQBDOXJBDB-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CC(C)CC[C@@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361269032 475315575 /nfs/dbraw/zinc/31/55/75/475315575.db2.gz YPBDZOXUBCDGOH-ZIFCJYIRSA-N 1 3 326.525 2.605 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000352491299 475345594 /nfs/dbraw/zinc/34/55/94/475345594.db2.gz PPSQVGQZHIUULK-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000352491299 475345600 /nfs/dbraw/zinc/34/56/00/475345600.db2.gz PPSQVGQZHIUULK-GOSISDBHSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705535 475348940 /nfs/dbraw/zinc/34/89/40/475348940.db2.gz LKNGOVQLOQKTMP-ZSYWTGECSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCCCC1 ZINC000354705535 475348947 /nfs/dbraw/zinc/34/89/47/475348947.db2.gz LKNGOVQLOQKTMP-ZSYWTGECSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1 ZINC000358039426 475355126 /nfs/dbraw/zinc/35/51/26/475355126.db2.gz AHVOYFRMMZDLFB-LJQANCHMSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345682100 475362255 /nfs/dbraw/zinc/36/22/55/475362255.db2.gz ATCXXEMBWUHMNX-BBRMVZONSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000345682100 475362261 /nfs/dbraw/zinc/36/22/61/475362261.db2.gz ATCXXEMBWUHMNX-BBRMVZONSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000361336836 475365445 /nfs/dbraw/zinc/36/54/45/475365445.db2.gz WEPLKOFIKDYRKQ-KXBFYZLASA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000345692121 475370069 /nfs/dbraw/zinc/37/00/69/475370069.db2.gz MIUGXWZUIOFNMJ-CZUORRHYSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)CC(F)F)C1 ZINC000345692121 475370075 /nfs/dbraw/zinc/37/00/75/475370075.db2.gz MIUGXWZUIOFNMJ-CZUORRHYSA-N 1 3 339.430 2.517 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000361342299 475370139 /nfs/dbraw/zinc/37/01/39/475370139.db2.gz VDIWRADMWKOPMM-LJQANCHMSA-N 1 3 329.488 2.515 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296557403 475370181 /nfs/dbraw/zinc/37/01/81/475370181.db2.gz RZLGEXUESLZLTA-RAFMOHDBSA-N 1 3 339.487 2.933 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296557403 475370186 /nfs/dbraw/zinc/37/01/86/475370186.db2.gz RZLGEXUESLZLTA-RAFMOHDBSA-N 1 3 339.487 2.933 20 0 EFADHO C[C@@H]1CSC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000296564054 475372580 /nfs/dbraw/zinc/37/25/80/475372580.db2.gz VMDUFRLESDXNSE-MJGOQNOKSA-N 1 3 333.545 2.930 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000361347610 475373374 /nfs/dbraw/zinc/37/33/74/475373374.db2.gz WSGUFERSNCTWLH-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H](N)CC(F)F)CC1 ZINC000345699138 475376299 /nfs/dbraw/zinc/37/62/99/475376299.db2.gz TYUZETPTBBOCLR-INIZCTEOSA-N 1 3 339.430 2.517 20 0 EFADHO CC(C)N1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358081278 475381797 /nfs/dbraw/zinc/38/17/97/475381797.db2.gz HPYNPAKPLTYAGC-CQSZACIVSA-N 1 3 339.505 2.582 20 0 EFADHO CC[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000361356837 475382021 /nfs/dbraw/zinc/38/20/21/475382021.db2.gz PFGSYGJHFSUVGT-LJQANCHMSA-N 1 3 347.503 2.679 20 0 EFADHO N[C@H](CC(F)F)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000345713127 475388047 /nfs/dbraw/zinc/38/80/47/475388047.db2.gz JVAXLBBYFNESNH-OAHLLOKOSA-N 1 3 325.403 2.636 20 0 EFADHO CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1OC ZINC000341894805 475389426 /nfs/dbraw/zinc/38/94/26/475389426.db2.gz YIKCHNUWPKZMNK-IJEWVQPXSA-N 1 3 336.476 2.921 20 0 EFADHO N[C@@H](CC(F)F)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000345723202 475396022 /nfs/dbraw/zinc/39/60/22/475396022.db2.gz WVMPSDDTLNXQHT-INIZCTEOSA-N 1 3 339.430 2.661 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000358097074 475396043 /nfs/dbraw/zinc/39/60/43/475396043.db2.gz MTVLJUWJJKIQEU-KQTLUZQSSA-N 1 3 335.879 2.764 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)CC(F)F)c2)CC1 ZINC000345724353 475396206 /nfs/dbraw/zinc/39/62/06/475396206.db2.gz XLOLPOIUGYLQIK-INIZCTEOSA-N 1 3 339.430 2.517 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358098047 475396375 /nfs/dbraw/zinc/39/63/75/475396375.db2.gz OMQIXBFFBINZCI-AEFFLSMTSA-N 1 3 336.524 2.591 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000358098047 475396381 /nfs/dbraw/zinc/39/63/81/475396381.db2.gz OMQIXBFFBINZCI-AEFFLSMTSA-N 1 3 336.524 2.591 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000358126626 475421026 /nfs/dbraw/zinc/42/10/26/475421026.db2.gz BATXWORSCUNVGE-AOIWGVFYSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000358126626 475421032 /nfs/dbraw/zinc/42/10/32/475421032.db2.gz BATXWORSCUNVGE-AOIWGVFYSA-N 1 3 346.519 2.677 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358126620 475421438 /nfs/dbraw/zinc/42/14/38/475421438.db2.gz BAIIQGWNPZDDCM-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000358126620 475421445 /nfs/dbraw/zinc/42/14/45/475421445.db2.gz BAIIQGWNPZDDCM-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@@H](NCCC(=O)NC(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000358131775 475426139 /nfs/dbraw/zinc/42/61/39/475426139.db2.gz NHRKXWZBXSDRKH-OAHLLOKOSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000341937140 475429313 /nfs/dbraw/zinc/42/93/13/475429313.db2.gz IBAYFWWHIBDOHD-IRXDYDNUSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358152120 475444380 /nfs/dbraw/zinc/44/43/80/475444380.db2.gz KMJPRRHNYXMDGC-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000358152120 475444384 /nfs/dbraw/zinc/44/43/84/475444384.db2.gz KMJPRRHNYXMDGC-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c(N2CCOCC2)c1 ZINC000341963961 475456518 /nfs/dbraw/zinc/45/65/18/475456518.db2.gz JSUSSRHYOZVIGH-ZHALLVOQSA-N 1 3 331.504 2.650 20 0 EFADHO CC[C@@]1(C)CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354862675 475471381 /nfs/dbraw/zinc/47/13/81/475471381.db2.gz XBVOELURQVUDGA-ICSRJNTNSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000337993757 475488714 /nfs/dbraw/zinc/48/87/14/475488714.db2.gz SXHZUXDRJMTUKT-GJZGRUSLSA-N 1 3 326.431 2.722 20 0 EFADHO CC(C)CC[NH+]1CCC(CNCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000352653689 475495549 /nfs/dbraw/zinc/49/55/49/475495549.db2.gz ZIEBXNHPCJKMFR-UHFFFAOYSA-N 1 3 345.487 2.865 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000342027757 475515238 /nfs/dbraw/zinc/51/52/38/475515238.db2.gz XCYUGMJPMMOBJP-QGZVFWFLSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCCN(C)CC2)CC1 ZINC000342027756 475515333 /nfs/dbraw/zinc/51/53/33/475515333.db2.gz XCYUGMJPMMOBJP-KRWDZBQOSA-N 1 3 344.503 2.559 20 0 EFADHO CC(CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041771 475525666 /nfs/dbraw/zinc/52/56/66/475525666.db2.gz XPWGQCHMNJCHMU-ZRNYENFQSA-N 1 3 336.520 2.909 20 0 EFADHO CC(CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041771 475525670 /nfs/dbraw/zinc/52/56/70/475525670.db2.gz XPWGQCHMNJCHMU-ZRNYENFQSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342043304 475526800 /nfs/dbraw/zinc/52/68/00/475526800.db2.gz GYOABHSRCQILHA-OXJNMPFZSA-N 1 3 325.456 2.856 20 0 EFADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358254470 475531673 /nfs/dbraw/zinc/53/16/73/475531673.db2.gz PSSKTSDTGPUCMC-HWWQOWPSSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358254470 475531681 /nfs/dbraw/zinc/53/16/81/475531681.db2.gz PSSKTSDTGPUCMC-HWWQOWPSSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358254477 475532077 /nfs/dbraw/zinc/53/20/77/475532077.db2.gz PSSKTSDTGPUCMC-OZVIIMIRSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254477 475532084 /nfs/dbraw/zinc/53/20/84/475532084.db2.gz PSSKTSDTGPUCMC-OZVIIMIRSA-N 1 3 347.286 2.805 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345891661 475539197 /nfs/dbraw/zinc/53/91/97/475539197.db2.gz SODSNZIUCBVLDR-CALCHBBNSA-N 1 3 331.504 2.970 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1)C1CC1 ZINC000354947465 475547814 /nfs/dbraw/zinc/54/78/14/475547814.db2.gz FPQAPRVHYQPRJV-QGZVFWFLSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1)C1CC1 ZINC000354947465 475547820 /nfs/dbraw/zinc/54/78/20/475547820.db2.gz FPQAPRVHYQPRJV-QGZVFWFLSA-N 1 3 329.488 2.695 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000348275391 475552267 /nfs/dbraw/zinc/55/22/67/475552267.db2.gz KTHFDMXLOSDWJV-QGZVFWFLSA-N 1 3 345.487 2.608 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000348275391 475552273 /nfs/dbraw/zinc/55/22/73/475552273.db2.gz KTHFDMXLOSDWJV-QGZVFWFLSA-N 1 3 345.487 2.608 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000348275389 475552469 /nfs/dbraw/zinc/55/24/69/475552469.db2.gz KTHFDMXLOSDWJV-KRWDZBQOSA-N 1 3 345.487 2.608 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N1CCOc2ccccc21 ZINC000348275389 475552474 /nfs/dbraw/zinc/55/24/74/475552474.db2.gz KTHFDMXLOSDWJV-KRWDZBQOSA-N 1 3 345.487 2.608 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000346057268 475556599 /nfs/dbraw/zinc/55/65/99/475556599.db2.gz VKETWFHRLFYIIU-LJQANCHMSA-N 1 3 337.467 2.753 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000342100395 475556956 /nfs/dbraw/zinc/55/69/56/475556956.db2.gz KDOUBCAIOMGVLJ-RUENVJTFSA-N 1 3 345.462 2.689 20 0 EFADHO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000346083869 475558109 /nfs/dbraw/zinc/55/81/09/475558109.db2.gz CAWVEXLFUWHLNY-JKSUJKDBSA-N 1 3 343.471 2.979 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339851899 475560346 /nfs/dbraw/zinc/56/03/46/475560346.db2.gz YFEQIIQVMNDIOS-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339851899 475560354 /nfs/dbraw/zinc/56/03/54/475560354.db2.gz YFEQIIQVMNDIOS-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000346178258 475567763 /nfs/dbraw/zinc/56/77/63/475567763.db2.gz FHTBRYCWASGNSW-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000346178258 475567768 /nfs/dbraw/zinc/56/77/68/475567768.db2.gz FHTBRYCWASGNSW-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC2)C1 ZINC000358307388 475577247 /nfs/dbraw/zinc/57/72/47/475577247.db2.gz QCHQHBBYXRBFKK-BTHPGYMESA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN([C@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000346279142 475579186 /nfs/dbraw/zinc/57/91/86/475579186.db2.gz VBAQTALALOKHTJ-RDGPPVDQSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000346339260 475584865 /nfs/dbraw/zinc/58/48/65/475584865.db2.gz PIXZEFXYGCNLER-GBESFXJTSA-N 1 3 343.515 2.982 20 0 EFADHO CCN1CCN(CCC[NH2+]C/C(C)=C\c2ccccc2COC)CC1 ZINC000352754862 475593268 /nfs/dbraw/zinc/59/32/68/475593268.db2.gz KLLVMCFDQPBWPI-MNDPQUGUSA-N 1 3 345.531 2.854 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352767332 475602615 /nfs/dbraw/zinc/60/26/15/475602615.db2.gz GFOXKIYQPPFNRD-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352767332 475602622 /nfs/dbraw/zinc/60/26/22/475602622.db2.gz GFOXKIYQPPFNRD-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NCCN2CCC[C@H](C)C2)cc1 ZINC000338126603 475608011 /nfs/dbraw/zinc/60/80/11/475608011.db2.gz YGDKXTFZUOTDPD-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO CCc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC000352780527 475618084 /nfs/dbraw/zinc/61/80/84/475618084.db2.gz XSTOXKCDCRZSLM-UHFFFAOYSA-N 1 3 339.483 2.891 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000358365752 475621686 /nfs/dbraw/zinc/62/16/86/475621686.db2.gz HSPQQCDOIKUKFU-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000348373767 475624979 /nfs/dbraw/zinc/62/49/79/475624979.db2.gz JADJFBZADBQWNM-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCCN1CC ZINC000348373767 475624988 /nfs/dbraw/zinc/62/49/88/475624988.db2.gz JADJFBZADBQWNM-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c2ccccc2)CC1 ZINC000342718804 475632117 /nfs/dbraw/zinc/63/21/17/475632117.db2.gz FROYNVVSTBAUPH-DFQSSKMNSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000355061298 475636444 /nfs/dbraw/zinc/63/64/44/475636444.db2.gz QDTUQDUZRFQCJB-ZIFCJYIRSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C[C@@H](C)C1 ZINC000355061298 475636447 /nfs/dbraw/zinc/63/64/47/475636447.db2.gz QDTUQDUZRFQCJB-ZIFCJYIRSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405249 475644992 /nfs/dbraw/zinc/64/49/92/475644992.db2.gz GOFUWTSQRKUAAJ-SJORKVTESA-N 1 3 348.487 2.999 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405249 475644997 /nfs/dbraw/zinc/64/49/97/475644997.db2.gz GOFUWTSQRKUAAJ-SJORKVTESA-N 1 3 348.487 2.999 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358429396 475673245 /nfs/dbraw/zinc/67/32/45/475673245.db2.gz YMHLWVHIQKJKBQ-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358429396 475673256 /nfs/dbraw/zinc/67/32/56/475673256.db2.gz YMHLWVHIQKJKBQ-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355110659 475673920 /nfs/dbraw/zinc/67/39/20/475673920.db2.gz WOVSMSDVZMARJH-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353049461 475683336 /nfs/dbraw/zinc/68/33/36/475683336.db2.gz RPXXNKFYSIKTQH-PMACEKPBSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000361714652 475691203 /nfs/dbraw/zinc/69/12/03/475691203.db2.gz SACLTNODKMQAGU-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO OCC[NH+]1CCC(CN[C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618317 475704206 /nfs/dbraw/zinc/70/42/06/475704206.db2.gz YHZKBUHBCMOCKO-HXUWFJFHSA-N 1 3 343.446 2.604 20 0 EFADHO OCC[NH+]1CCC(CN[C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000346618313 475704542 /nfs/dbraw/zinc/70/45/42/475704542.db2.gz YHZKBUHBCMOCKO-FQEVSTJZSA-N 1 3 343.446 2.604 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1 ZINC000346621586 475707781 /nfs/dbraw/zinc/70/77/81/475707781.db2.gz MRSXGBHKCSHCFV-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccc(F)cc1 ZINC000346621586 475707787 /nfs/dbraw/zinc/70/77/87/475707787.db2.gz MRSXGBHKCSHCFV-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO C[NH2+]CCC1CCN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000346644394 475726563 /nfs/dbraw/zinc/72/65/63/475726563.db2.gz DIVWBWHQMJCKBT-UHFFFAOYSA-N 1 3 328.460 2.907 20 0 EFADHO CC(C)C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358502437 475730491 /nfs/dbraw/zinc/73/04/91/475730491.db2.gz BTQKZVFZBGAAQC-LJQANCHMSA-N 1 3 343.515 2.966 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358508213 475734753 /nfs/dbraw/zinc/73/47/53/475734753.db2.gz OTCHDGRTIVHOEP-IBGZPJMESA-N 1 3 329.488 2.575 20 0 EFADHO O=C([C@@H](c1ccccc1)N1CCC2(C1)CC[NH2+]CC2)N1CCCCC1 ZINC000358519774 475742604 /nfs/dbraw/zinc/74/26/04/475742604.db2.gz SQATUSWRTRQTGO-LJQANCHMSA-N 1 3 341.499 2.816 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000361778594 475745415 /nfs/dbraw/zinc/74/54/15/475745415.db2.gz HDJFIOQRINOHIV-KZNAEPCWSA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000361778594 475745421 /nfs/dbraw/zinc/74/54/21/475745421.db2.gz HDJFIOQRINOHIV-KZNAEPCWSA-N 1 3 338.540 2.765 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000353182690 475749420 /nfs/dbraw/zinc/74/94/20/475749420.db2.gz JYPUYCRAPIGMRO-MAUKXSAKSA-N 1 3 333.476 2.863 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000353182690 475749424 /nfs/dbraw/zinc/74/94/24/475749424.db2.gz JYPUYCRAPIGMRO-MAUKXSAKSA-N 1 3 333.476 2.863 20 0 EFADHO [NH3+]CC1CCN(Cc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000346681321 475758692 /nfs/dbraw/zinc/75/86/92/475758692.db2.gz DHKLBOQDQIJRAW-UHFFFAOYSA-N 1 3 349.276 2.806 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000338303696 475763910 /nfs/dbraw/zinc/76/39/10/475763910.db2.gz WQAONLYJYFCCJA-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)N(C)C)cc1 ZINC000338303696 475763919 /nfs/dbraw/zinc/76/39/19/475763919.db2.gz WQAONLYJYFCCJA-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)N1CCC(C)CC1 ZINC000338315533 475777830 /nfs/dbraw/zinc/77/78/30/475777830.db2.gz KCIKJSSSIXKBGO-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000340133344 475784772 /nfs/dbraw/zinc/78/47/72/475784772.db2.gz FHAYPTAHOUAQFN-MRXNPFEDSA-N 1 3 335.467 2.671 20 0 EFADHO COc1ccc2c(c1)C(C)(C)C[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000353240121 475795798 /nfs/dbraw/zinc/79/57/98/475795798.db2.gz YDDMWWPATBNUCA-LJQANCHMSA-N 1 3 332.488 2.854 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000338346272 475809066 /nfs/dbraw/zinc/80/90/66/475809066.db2.gz DZDWWSHMFYDAFM-ZWKOTPCHSA-N 1 3 338.540 2.528 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000343154313 475813287 /nfs/dbraw/zinc/81/32/87/475813287.db2.gz QMIZVDSUBRMFAB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000343154313 475813295 /nfs/dbraw/zinc/81/32/95/475813295.db2.gz QMIZVDSUBRMFAB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)[C@@H]1SC ZINC000297581802 475817646 /nfs/dbraw/zinc/81/76/46/475817646.db2.gz IMRJYBNHCFEXGE-KURKYZTESA-N 1 3 335.517 2.797 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000333088469 475835873 /nfs/dbraw/zinc/83/58/73/475835873.db2.gz CBKJJBAEQAMTPG-GUDVDZBRSA-N 1 3 343.519 2.573 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3ccc4ncccc4c3)CC2)C1 ZINC000333106197 475840244 /nfs/dbraw/zinc/84/02/44/475840244.db2.gz FRSPQHRROFJSCJ-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000361888509 475843551 /nfs/dbraw/zinc/84/35/51/475843551.db2.gz JXYGFRQOFNPCIV-CMKODMSKSA-N 1 3 345.531 2.816 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000297651742 475844263 /nfs/dbraw/zinc/84/42/63/475844263.db2.gz KEZYCVFYHKHGST-OAHLLOKOSA-N 1 3 328.460 2.981 20 0 EFADHO CC(C)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000340195279 475847940 /nfs/dbraw/zinc/84/79/40/475847940.db2.gz JJJGBAZOQVHGBP-XLIONFOSSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1nccn1CCCN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000348757018 475851392 /nfs/dbraw/zinc/85/13/92/475851392.db2.gz SKMGXSLZCSUREG-MRXNPFEDSA-N 1 3 345.516 2.682 20 0 EFADHO COCCCN1CCC([NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340222849 475865699 /nfs/dbraw/zinc/86/56/99/475865699.db2.gz YPNQUAHPLTYULZ-SFTDATJTSA-N 1 3 345.531 2.912 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000333208002 475870327 /nfs/dbraw/zinc/87/03/27/475870327.db2.gz ZDXHQFBBXASBPA-MJGOQNOKSA-N 1 3 341.455 2.659 20 0 EFADHO C[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000358701912 475870303 /nfs/dbraw/zinc/87/03/03/475870303.db2.gz ZEJPBPVPSFZGJT-KCYZZUKISA-N 1 3 335.517 2.635 20 0 EFADHO C[C@H]1CC2(CN1Cc1nc(-c3ccccc3F)no1)CC[NH2+]CC2 ZINC000333236319 475879267 /nfs/dbraw/zinc/87/92/67/475879267.db2.gz ACLPZPRSKYLQQK-ZDUSSCGKSA-N 1 3 330.407 2.840 20 0 EFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340238757 475881962 /nfs/dbraw/zinc/88/19/62/475881962.db2.gz SUUIPURDLNBXCP-NJYVYQBISA-N 1 3 345.531 2.504 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)c1cccc(C2CC2)c1 ZINC000340243444 475884225 /nfs/dbraw/zinc/88/42/25/475884225.db2.gz PPYMYWRMLPFZSQ-SFHVURJKSA-N 1 3 345.531 2.605 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346825078 475889207 /nfs/dbraw/zinc/88/92/07/475889207.db2.gz AJCOFHPLQVFJJC-WBAXXEDZSA-N 1 3 326.444 2.645 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000358755528 475909836 /nfs/dbraw/zinc/90/98/36/475909836.db2.gz TWGSGGVHRCSMHN-IBGZPJMESA-N 1 3 342.487 2.570 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2)no1 ZINC000346853055 475914166 /nfs/dbraw/zinc/91/41/66/475914166.db2.gz LRSNCAKVMVCKMN-JQHSSLGASA-N 1 3 342.443 2.516 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2nccc3ccccc32)CC1 ZINC000353382757 475924166 /nfs/dbraw/zinc/92/41/66/475924166.db2.gz IOGPSPRPCSAGKR-SJORKVTESA-N 1 3 326.488 2.911 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000338466133 475933132 /nfs/dbraw/zinc/93/31/32/475933132.db2.gz RBNIZWDPJPOMOH-HZPDHXFCSA-N 1 3 338.540 2.526 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338466134 475933519 /nfs/dbraw/zinc/93/35/19/475933519.db2.gz RBNIZWDPJPOMOH-IYBDPMFKSA-N 1 3 338.540 2.526 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000338466134 475933524 /nfs/dbraw/zinc/93/35/24/475933524.db2.gz RBNIZWDPJPOMOH-IYBDPMFKSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000338467817 475934561 /nfs/dbraw/zinc/93/45/61/475934561.db2.gz YXUPOFGZVMBNBQ-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297960189 475936133 /nfs/dbraw/zinc/93/61/33/475936133.db2.gz XULKOGNUAVNKDF-UHFFFAOYSA-N 1 3 344.503 2.929 20 0 EFADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@@H]2CCC[C@H]21 ZINC000353403127 475940269 /nfs/dbraw/zinc/94/02/69/475940269.db2.gz LHEOFXYZKXHYSI-YQFWSFKMSA-N 1 3 347.890 2.908 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@@H+](CC)C2CC2)N(C)C)cc1 ZINC000338476497 475941775 /nfs/dbraw/zinc/94/17/75/475941775.db2.gz IFDZARQPNWIAIG-IBGZPJMESA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCC[N@H+](CC)C2CC2)N(C)C)cc1 ZINC000338476497 475941781 /nfs/dbraw/zinc/94/17/81/475941781.db2.gz IFDZARQPNWIAIG-IBGZPJMESA-N 1 3 346.519 2.635 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333459640 475943608 /nfs/dbraw/zinc/94/36/08/475943608.db2.gz GEOTVMDQRIJXAB-VQIMIIECSA-N 1 3 342.487 2.934 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333459640 475943618 /nfs/dbraw/zinc/94/36/18/475943618.db2.gz GEOTVMDQRIJXAB-VQIMIIECSA-N 1 3 342.487 2.934 20 0 EFADHO O=C1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407480 475944262 /nfs/dbraw/zinc/94/42/62/475944262.db2.gz WMAZDZFPZXGJBZ-FUMNGEBKSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407480 475944266 /nfs/dbraw/zinc/94/42/66/475944266.db2.gz WMAZDZFPZXGJBZ-FUMNGEBKSA-N 1 3 341.499 2.545 20 0 EFADHO O=C1CC[C@H](N[C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1 ZINC000353407480 475944272 /nfs/dbraw/zinc/94/42/72/475944272.db2.gz WMAZDZFPZXGJBZ-FUMNGEBKSA-N 1 3 341.499 2.545 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000355450931 475948497 /nfs/dbraw/zinc/94/84/97/475948497.db2.gz AMYJVQPLYPKQAA-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000355450931 475948504 /nfs/dbraw/zinc/94/85/04/475948504.db2.gz AMYJVQPLYPKQAA-IBGZPJMESA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000355450939 475948725 /nfs/dbraw/zinc/94/87/25/475948725.db2.gz AMYJVQPLYPKQAA-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000355450939 475948731 /nfs/dbraw/zinc/94/87/31/475948731.db2.gz AMYJVQPLYPKQAA-LJQANCHMSA-N 1 3 346.519 2.771 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)N(C)C ZINC000353432587 475962855 /nfs/dbraw/zinc/96/28/55/475962855.db2.gz CCKIYLKLIWZSNT-OWYHZJEWSA-N 1 3 331.504 2.760 20 0 EFADHO C[N@@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353444928 475973343 /nfs/dbraw/zinc/97/33/43/475973343.db2.gz HGFLYWZPLCCLNJ-SLFFLAALSA-N 1 3 338.499 2.936 20 0 EFADHO C[N@H+]1CC[C@H](NCCc2nccn2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353444928 475973352 /nfs/dbraw/zinc/97/33/52/475973352.db2.gz HGFLYWZPLCCLNJ-SLFFLAALSA-N 1 3 338.499 2.936 20 0 EFADHO NC(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000353447751 475975762 /nfs/dbraw/zinc/97/57/62/475975762.db2.gz LMMVTXBUQLZIPI-OAHLLOKOSA-N 1 3 343.393 2.568 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353449053 475977239 /nfs/dbraw/zinc/97/72/39/475977239.db2.gz NAKGTKKMYJKGRI-SNRMKQJTSA-N 1 3 329.488 2.716 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353449051 475977707 /nfs/dbraw/zinc/97/77/07/475977707.db2.gz NAKGTKKMYJKGRI-MNEFBYGVSA-N 1 3 329.488 2.716 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000353452806 475981779 /nfs/dbraw/zinc/98/17/79/475981779.db2.gz RAEZGDVYZCYMFC-QRVBRYPASA-N 1 3 329.488 2.545 20 0 EFADHO NC[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1 ZINC000358853782 475988554 /nfs/dbraw/zinc/98/85/54/475988554.db2.gz FOCMAEFRVNVSIT-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)CC(C)C ZINC000358856057 475990898 /nfs/dbraw/zinc/99/08/98/475990898.db2.gz JZKLTEXWDTYULY-MSOLQXFVSA-N 1 3 337.483 2.741 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)CC(C)C ZINC000358856060 475991209 /nfs/dbraw/zinc/99/12/09/475991209.db2.gz JZKLTEXWDTYULY-ROUUACIJSA-N 1 3 337.483 2.741 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358858359 475992758 /nfs/dbraw/zinc/99/27/58/475992758.db2.gz QWPCXXVDLAQILD-FCEWJHQRSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358858359 475992766 /nfs/dbraw/zinc/99/27/66/475992766.db2.gz QWPCXXVDLAQILD-FCEWJHQRSA-N 1 3 349.494 2.742 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137156 475996033 /nfs/dbraw/zinc/99/60/33/475996033.db2.gz BVPYYJHRIUMBAD-QZTJIDSGSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137156 475996037 /nfs/dbraw/zinc/99/60/37/475996037.db2.gz BVPYYJHRIUMBAD-QZTJIDSGSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000353469988 475997271 /nfs/dbraw/zinc/99/72/71/475997271.db2.gz HUXHTNPRCATPPI-FPOVZHCZSA-N 1 3 343.515 2.575 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000298151441 476000196 /nfs/dbraw/zinc/00/01/96/476000196.db2.gz ASCIEMBFAOOVPQ-MRXNPFEDSA-N 1 3 340.895 2.884 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000298151441 476000204 /nfs/dbraw/zinc/00/02/04/476000204.db2.gz ASCIEMBFAOOVPQ-MRXNPFEDSA-N 1 3 340.895 2.884 20 0 EFADHO c1cc2c(c(CN3CCC(OCC[NH+]4CCCC4)CC3)c1)NCC2 ZINC000346975694 476003380 /nfs/dbraw/zinc/00/33/80/476003380.db2.gz JPOSEBKFTJGHBM-UHFFFAOYSA-N 1 3 329.488 2.731 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702422 476006903 /nfs/dbraw/zinc/00/69/03/476006903.db2.gz RBFGLJSZKCQJLL-FUHWJXTLSA-N 1 3 329.423 2.590 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702422 476006908 /nfs/dbraw/zinc/00/69/08/476006908.db2.gz RBFGLJSZKCQJLL-FUHWJXTLSA-N 1 3 329.423 2.590 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353483695 476009069 /nfs/dbraw/zinc/00/90/69/476009069.db2.gz PBZMOVCPPHAVTR-UOVPBQLFSA-N 1 3 349.544 2.881 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000347000876 476020659 /nfs/dbraw/zinc/02/06/59/476020659.db2.gz ZRUJVGSNKFUUMY-IBGZPJMESA-N 1 3 338.455 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000347000876 476020662 /nfs/dbraw/zinc/02/06/62/476020662.db2.gz ZRUJVGSNKFUUMY-IBGZPJMESA-N 1 3 338.455 2.851 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)C(N)C(F)(F)F)CCCC1)c1ccccc1 ZINC000353499362 476022779 /nfs/dbraw/zinc/02/27/79/476022779.db2.gz AHWBYABDMWCRGQ-GXTWGEPZSA-N 1 3 343.393 2.656 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)N(C)C)cc1 ZINC000353508494 476030705 /nfs/dbraw/zinc/03/07/05/476030705.db2.gz GDJJHEUTDIYDIK-FHWLQOOXSA-N 1 3 331.504 2.602 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794879 476030997 /nfs/dbraw/zinc/03/09/97/476030997.db2.gz GULACJFYIFEGHR-FDXYZQDMSA-N 1 3 348.531 2.704 20 0 EFADHO CCO[C@@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794879 476030998 /nfs/dbraw/zinc/03/09/98/476030998.db2.gz GULACJFYIFEGHR-FDXYZQDMSA-N 1 3 348.531 2.704 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccccc2OCC[NH+](C)C)[C@@H]1SC ZINC000298257728 476036030 /nfs/dbraw/zinc/03/60/30/476036030.db2.gz FEYHPZWIKOMVOG-JQHSSLGASA-N 1 3 338.517 2.626 20 0 EFADHO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000353520927 476042467 /nfs/dbraw/zinc/04/24/67/476042467.db2.gz PZDHPKVZKCRZJS-DOIPELPJSA-N 1 3 346.515 2.664 20 0 EFADHO CCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000353520928 476042736 /nfs/dbraw/zinc/04/27/36/476042736.db2.gz PZDHPKVZKCRZJS-JSXRDJHFSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000353522500 476044323 /nfs/dbraw/zinc/04/43/23/476044323.db2.gz RRWDRCNLONTHJX-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343421592 476049425 /nfs/dbraw/zinc/04/94/25/476049425.db2.gz DGNQJOZMLHASDR-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000343421592 476049432 /nfs/dbraw/zinc/04/94/32/476049432.db2.gz DGNQJOZMLHASDR-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000347037477 476052768 /nfs/dbraw/zinc/05/27/68/476052768.db2.gz JSOZMVZCDIWEEP-OAHLLOKOSA-N 1 3 337.483 2.883 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338614055 476056706 /nfs/dbraw/zinc/05/67/06/476056706.db2.gz LNGAQOIIXVMOEL-INIZCTEOSA-N 1 3 340.899 2.584 20 0 EFADHO c1ccc(CCN2CC[C@@H](C[NH2+]C3CCN(C4CC4)CC3)C2)cc1 ZINC000298363301 476068547 /nfs/dbraw/zinc/06/85/47/476068547.db2.gz KFCXFHAKDMXGMW-IBGZPJMESA-N 1 3 327.516 2.767 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1SC ZINC000298366540 476069232 /nfs/dbraw/zinc/06/92/32/476069232.db2.gz KKGAOFIOMKNDKZ-KSZLIROESA-N 1 3 338.517 2.626 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000343501015 476079308 /nfs/dbraw/zinc/07/93/08/476079308.db2.gz XIFFJSYQBNBPEL-XLIONFOSSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000343501015 476079316 /nfs/dbraw/zinc/07/93/16/476079316.db2.gz XIFFJSYQBNBPEL-XLIONFOSSA-N 1 3 331.504 2.685 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000350181794 476082907 /nfs/dbraw/zinc/08/29/07/476082907.db2.gz RVNQVZOISRYSTQ-IBGZPJMESA-N 1 3 332.488 2.597 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1 ZINC000350181795 476084259 /nfs/dbraw/zinc/08/42/59/476084259.db2.gz RVNQVZOISRYSTQ-LJQANCHMSA-N 1 3 332.488 2.597 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000356232981 476092838 /nfs/dbraw/zinc/09/28/38/476092838.db2.gz HBFOJKAWVUIUQJ-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000356243480 476093829 /nfs/dbraw/zinc/09/38/29/476093829.db2.gz MXZVKZAGJSSRCQ-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000356243480 476093837 /nfs/dbraw/zinc/09/38/37/476093837.db2.gz MXZVKZAGJSSRCQ-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)C1 ZINC000356243481 476093955 /nfs/dbraw/zinc/09/39/55/476093955.db2.gz MXZVKZAGJSSRCQ-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)C2)C1 ZINC000356243481 476093962 /nfs/dbraw/zinc/09/39/62/476093962.db2.gz MXZVKZAGJSSRCQ-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO CC[NH+](CC)CCOCCNCc1ccc(Br)s1 ZINC000350264790 476112337 /nfs/dbraw/zinc/11/23/37/476112337.db2.gz KJIUXCHQSNSTBZ-UHFFFAOYSA-N 1 3 335.311 2.959 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)C2CCN(C)CC2)CC1)CC(C)C ZINC000359012313 476113720 /nfs/dbraw/zinc/11/37/20/476113720.db2.gz LJZOJMLNMWUIIX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)C2CCN(C)CC2)CC1)CC(C)C ZINC000359012313 476113723 /nfs/dbraw/zinc/11/37/23/476113723.db2.gz LJZOJMLNMWUIIX-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)N1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000298512872 476121782 /nfs/dbraw/zinc/12/17/82/476121782.db2.gz QZDSTJDQZNNLDF-KRWDZBQOSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(I)c1)CN(C)C ZINC000336649963 476122614 /nfs/dbraw/zinc/12/26/14/476122614.db2.gz DIOSREFPUGXQLF-NSHDSACASA-N 1 3 332.229 2.579 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2csc(C)n2)[C@H](C)C1 ZINC000347143248 476124422 /nfs/dbraw/zinc/12/44/22/476124422.db2.gz JANSYRLVXOLVST-PBHICJAKSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2csc(C)n2)[C@H](C)C1 ZINC000347143248 476124428 /nfs/dbraw/zinc/12/44/28/476124428.db2.gz JANSYRLVXOLVST-PBHICJAKSA-N 1 3 325.522 2.721 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336788942 476129567 /nfs/dbraw/zinc/12/95/67/476129567.db2.gz HYDKJEBANGRXPF-LEWJYISDSA-N 1 3 338.499 2.954 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000336788942 476129574 /nfs/dbraw/zinc/12/95/74/476129574.db2.gz HYDKJEBANGRXPF-LEWJYISDSA-N 1 3 338.499 2.954 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793625 476133225 /nfs/dbraw/zinc/13/32/25/476133225.db2.gz XPLREGPDJYAEDV-XUVXKRRUSA-N 1 3 346.515 2.616 20 0 EFADHO CC(C)(C)OC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336793625 476133230 /nfs/dbraw/zinc/13/32/30/476133230.db2.gz XPLREGPDJYAEDV-XUVXKRRUSA-N 1 3 346.515 2.616 20 0 EFADHO NC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000336815316 476135145 /nfs/dbraw/zinc/13/51/45/476135145.db2.gz HMWFPTVECYSFGB-SFTDATJTSA-N 1 3 349.478 2.739 20 0 EFADHO NC(=O)c1cccc(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000336815316 476135154 /nfs/dbraw/zinc/13/51/54/476135154.db2.gz HMWFPTVECYSFGB-SFTDATJTSA-N 1 3 349.478 2.739 20 0 EFADHO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000359040440 476137984 /nfs/dbraw/zinc/13/79/84/476137984.db2.gz VPJNHCZDMYKKBG-HOJRLLLISA-N 1 3 333.442 2.722 20 0 EFADHO c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000356910760 476145418 /nfs/dbraw/zinc/14/54/18/476145418.db2.gz YXMUSECDORVICE-MUGJNUQGSA-N 1 3 336.483 2.767 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000344064175 476154356 /nfs/dbraw/zinc/15/43/56/476154356.db2.gz MSYNAVHAYWSREL-MRXNPFEDSA-N 1 3 329.444 2.564 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344175596 476166390 /nfs/dbraw/zinc/16/63/90/476166390.db2.gz SLLIZYLJHPTSBI-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H]1c1cccs1 ZINC000353664075 476169687 /nfs/dbraw/zinc/16/96/87/476169687.db2.gz NQVJXVKGPAKJQK-KYJSFNMBSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1cc2[nH]c(C[NH2+]C3CCN(CCN(C)C)CC3)cc2c(C)c1 ZINC000359090234 476178875 /nfs/dbraw/zinc/17/88/75/476178875.db2.gz SQRKZQUQOKBFDY-UHFFFAOYSA-N 1 3 328.504 2.900 20 0 EFADHO COc1cc2c(c(CN3CCC([C@H]4CCC[NH2+]4)CC3)c1)O[C@H](C)C2 ZINC000347224642 476182504 /nfs/dbraw/zinc/18/25/04/476182504.db2.gz VCXRNRINOMSYBP-AUUYWEPGSA-N 1 3 330.472 2.983 20 0 EFADHO COCCN1CCC([NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000338787775 476186922 /nfs/dbraw/zinc/18/69/22/476186922.db2.gz INDOYOGVVDPPHN-SFHVURJKSA-N 1 3 339.911 2.643 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000362381417 476207090 /nfs/dbraw/zinc/20/70/90/476207090.db2.gz YJXJSJVNVYVIRH-UHFFFAOYSA-N 1 3 330.476 2.840 20 0 EFADHO CC[C@H]1CCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000340690214 476209130 /nfs/dbraw/zinc/20/91/30/476209130.db2.gz WIZHNNSZECWIHO-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@H]1CCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000340690214 476209138 /nfs/dbraw/zinc/20/91/38/476209138.db2.gz WIZHNNSZECWIHO-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359164898 476210699 /nfs/dbraw/zinc/21/06/99/476210699.db2.gz GNOWXWIIDLVPJI-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357079011 476213332 /nfs/dbraw/zinc/21/33/32/476213332.db2.gz KXPRTSURQOEINL-UXHICEINSA-N 1 3 343.515 2.918 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000338833916 476222427 /nfs/dbraw/zinc/22/24/27/476222427.db2.gz QOKSFEOBXGTNAX-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357098788 476230754 /nfs/dbraw/zinc/23/07/54/476230754.db2.gz BKRZYUYGIKZLKA-FCEWJHQRSA-N 1 3 329.488 2.574 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303429804 476237209 /nfs/dbraw/zinc/23/72/09/476237209.db2.gz BRGSVAPERZVDNT-BRSBDYLESA-N 1 3 338.540 2.526 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359506138 476242719 /nfs/dbraw/zinc/24/27/19/476242719.db2.gz BPOKXYGGJYLPIN-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359506138 476242725 /nfs/dbraw/zinc/24/27/25/476242725.db2.gz BPOKXYGGJYLPIN-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000353748332 476242822 /nfs/dbraw/zinc/24/28/22/476242822.db2.gz HXGUQUMAQANWBQ-NUJGCVRESA-N 1 3 348.487 2.932 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C(=O)OC)cc2)C[C@H]1C ZINC000353748332 476242827 /nfs/dbraw/zinc/24/28/27/476242827.db2.gz HXGUQUMAQANWBQ-NUJGCVRESA-N 1 3 348.487 2.932 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000353750751 476245989 /nfs/dbraw/zinc/24/59/89/476245989.db2.gz YXLZZTTUDJLRTL-WMZOPIPTSA-N 1 3 348.487 2.933 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000353750751 476245998 /nfs/dbraw/zinc/24/59/98/476245998.db2.gz YXLZZTTUDJLRTL-WMZOPIPTSA-N 1 3 348.487 2.933 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000303989530 476257392 /nfs/dbraw/zinc/25/73/92/476257392.db2.gz KQVSAKDHCMBBFF-PZJWPPBQSA-N 1 3 346.515 2.858 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000362453266 476261693 /nfs/dbraw/zinc/26/16/93/476261693.db2.gz WXJYQZCLSITJFO-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000362453266 476261699 /nfs/dbraw/zinc/26/16/99/476261699.db2.gz WXJYQZCLSITJFO-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@H]2C)[C@H](C)C1 ZINC000359944228 476275810 /nfs/dbraw/zinc/27/58/10/476275810.db2.gz UJCXUSFLZGMORB-ZRNYENFQSA-N 1 3 339.568 2.976 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000360297411 476298174 /nfs/dbraw/zinc/29/81/74/476298174.db2.gz WTFPFPQEJYFADF-YTQUADARSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000357250274 476305057 /nfs/dbraw/zinc/30/50/57/476305057.db2.gz ARDWYOCISAEFOJ-QGZVFWFLSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350872904 476308442 /nfs/dbraw/zinc/30/84/42/476308442.db2.gz YRIYHLTVVHXULO-AWEZNQCLSA-N 1 3 338.540 2.667 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000360581145 476308686 /nfs/dbraw/zinc/30/86/86/476308686.db2.gz OFRHCQZMLYHEQN-YRGRVCCFSA-N 1 3 347.286 2.663 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000360581145 476308690 /nfs/dbraw/zinc/30/86/90/476308690.db2.gz OFRHCQZMLYHEQN-YRGRVCCFSA-N 1 3 347.286 2.663 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1)N(C)C ZINC000357278790 476313378 /nfs/dbraw/zinc/31/33/78/476313378.db2.gz WZXQEGCWTCNBFK-AOIWGVFYSA-N 1 3 346.519 2.579 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357306981 476324606 /nfs/dbraw/zinc/32/46/06/476324606.db2.gz MCQJFKVKHWVCHS-FXRXJOCMSA-N 1 3 347.478 2.540 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000357306711 476324724 /nfs/dbraw/zinc/32/47/24/476324724.db2.gz NJMLOWNMFGIJJE-LPHOPBHVSA-N 1 3 347.503 2.679 20 0 EFADHO CC[C@@H]1CC[C@H](C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000362625232 476331521 /nfs/dbraw/zinc/33/15/21/476331521.db2.gz ZIFDCRWXLLARCR-DOTOQJQBSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](C(=O)N1CCNC(C)(C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000357347807 476341474 /nfs/dbraw/zinc/34/14/74/476341474.db2.gz YVTJZWIDAWWJIS-QGZVFWFLSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000357368897 476348498 /nfs/dbraw/zinc/34/84/98/476348498.db2.gz WKZJWCWHOGDBNO-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000357389271 476353731 /nfs/dbraw/zinc/35/37/31/476353731.db2.gz KAFCUBHFAKIFKK-SUMDDJOVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000357389271 476353734 /nfs/dbraw/zinc/35/37/34/476353734.db2.gz KAFCUBHFAKIFKK-SUMDDJOVSA-N 1 3 347.478 2.637 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000354004677 476355125 /nfs/dbraw/zinc/35/51/25/476355125.db2.gz CGTCNZQBICEMKG-QGZVFWFLSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](CC(C)C)c2ccccc2)CC1 ZINC000357414784 476368565 /nfs/dbraw/zinc/36/85/65/476368565.db2.gz UMDAHXPHUXWIKT-LJQANCHMSA-N 1 3 331.504 2.964 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000360760447 476369923 /nfs/dbraw/zinc/36/99/23/476369923.db2.gz BUSURSFXERHHHD-QGZVFWFLSA-N 1 3 338.467 2.619 20 0 EFADHO C[C@H]1CN(Cc2ccc3ncccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354026674 476376241 /nfs/dbraw/zinc/37/62/41/476376241.db2.gz XOSIGQVCQAMCQN-LAUBAEHRSA-N 1 3 338.499 2.693 20 0 EFADHO CC(C)(C)[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CS1 ZINC000377385060 476377358 /nfs/dbraw/zinc/37/73/58/476377358.db2.gz BSLMKNUWLZWCKZ-OIISXLGYSA-N 1 3 326.550 2.997 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360782521 476382670 /nfs/dbraw/zinc/38/26/70/476382670.db2.gz SZYMTZRJINYYEO-LXPRWKDFSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000369014181 476386616 /nfs/dbraw/zinc/38/66/16/476386616.db2.gz VWXAIAHKFXKBPF-UHFFFAOYSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000354044901 476388380 /nfs/dbraw/zinc/38/83/80/476388380.db2.gz NKHRDZPXYXJALJ-UHFFFAOYSA-N 1 3 341.503 2.553 20 0 EFADHO CN(Cc1csc(C2CC2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481276 476404547 /nfs/dbraw/zinc/40/45/47/476404547.db2.gz RDZLTPIGCOTQSW-QGZVFWFLSA-N 1 3 334.533 2.621 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CCCCCn3cccn3)CC2)C[C@@H](C)O1 ZINC000363485664 476405121 /nfs/dbraw/zinc/40/51/21/476405121.db2.gz PYFLSPYFHRSCHM-RTBURBONSA-N 1 3 348.535 2.875 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC000363494993 476409423 /nfs/dbraw/zinc/40/94/23/476409423.db2.gz FFGWPKNIIRRKRC-HXUWFJFHSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802949 476415750 /nfs/dbraw/zinc/41/57/50/476415750.db2.gz QMGZFKRPHWYDQP-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802949 476415759 /nfs/dbraw/zinc/41/57/59/476415759.db2.gz QMGZFKRPHWYDQP-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802949 476415763 /nfs/dbraw/zinc/41/57/63/476415763.db2.gz QMGZFKRPHWYDQP-CEWLAPEOSA-N 1 3 345.531 2.597 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000354099662 476425076 /nfs/dbraw/zinc/42/50/76/476425076.db2.gz GSHYTCOEKRYXRR-IBGZPJMESA-N 1 3 330.472 2.895 20 0 EFADHO c1cnnc(N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000373788403 476428580 /nfs/dbraw/zinc/42/85/80/476428580.db2.gz QZTYGMMXEJAOQE-UHFFFAOYSA-N 1 3 343.519 2.832 20 0 EFADHO c1cnnc(N2CCC(NC3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000373788403 476428583 /nfs/dbraw/zinc/42/85/83/476428583.db2.gz QZTYGMMXEJAOQE-UHFFFAOYSA-N 1 3 343.519 2.832 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362839332 476434505 /nfs/dbraw/zinc/43/45/05/476434505.db2.gz QDYPCXZYAUFXHA-MDZRGWNJSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362839332 476434507 /nfs/dbraw/zinc/43/45/07/476434507.db2.gz QDYPCXZYAUFXHA-MDZRGWNJSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000357549244 476445771 /nfs/dbraw/zinc/44/57/71/476445771.db2.gz UIHNZTYLOVWCTC-CVEARBPZSA-N 1 3 338.496 2.690 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccco1 ZINC000357549247 476446041 /nfs/dbraw/zinc/44/60/41/476446041.db2.gz UIHNZTYLOVWCTC-JKSUJKDBSA-N 1 3 338.496 2.690 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000374060925 476450896 /nfs/dbraw/zinc/45/08/96/476450896.db2.gz IJIXTEXWKVNUPS-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000377654056 476500663 /nfs/dbraw/zinc/50/06/63/476500663.db2.gz NNHAPMBOGJTAAY-QFBILLFUSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000377654056 476500671 /nfs/dbraw/zinc/50/06/71/476500671.db2.gz NNHAPMBOGJTAAY-QFBILLFUSA-N 1 3 327.472 2.891 20 0 EFADHO C(CC[N@@H+]1CCOCC2(CCC2)C1)CN1CCOCC2(CCC2)C1 ZINC000363884850 476502737 /nfs/dbraw/zinc/50/27/37/476502737.db2.gz GKWXIJIHFNDEGL-UHFFFAOYSA-N 1 3 336.520 2.772 20 0 EFADHO C(CC[N@H+]1CCOCC2(CCC2)C1)CN1CCOCC2(CCC2)C1 ZINC000363884850 476502742 /nfs/dbraw/zinc/50/27/42/476502742.db2.gz GKWXIJIHFNDEGL-UHFFFAOYSA-N 1 3 336.520 2.772 20 0 EFADHO C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354209532 476504024 /nfs/dbraw/zinc/50/40/24/476504024.db2.gz ITOBKYAPIWUTIP-XDQVBPFNSA-N 1 3 328.909 2.940 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357643107 476509398 /nfs/dbraw/zinc/50/93/98/476509398.db2.gz WJBUSLNWTKEVEJ-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000357643107 476509404 /nfs/dbraw/zinc/50/94/04/476509404.db2.gz WJBUSLNWTKEVEJ-MRXNPFEDSA-N 1 3 334.508 2.668 20 0 EFADHO CCCN1CCC([NH2+]C[C@@]2(COC)OCCc3ccccc32)CC1 ZINC000377742190 476555727 /nfs/dbraw/zinc/55/57/27/476555727.db2.gz HFIDWHCEBUHSSK-FQEVSTJZSA-N 1 3 332.488 2.565 20 0 EFADHO O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377752515 476561157 /nfs/dbraw/zinc/56/11/57/476561157.db2.gz UILCHZLCXSCNSZ-BBWFWOEESA-N 1 3 347.528 2.637 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000365372449 476569394 /nfs/dbraw/zinc/56/93/94/476569394.db2.gz XSXNLLRJQJDRKJ-VLOYRQLPSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000365372449 476569399 /nfs/dbraw/zinc/56/93/99/476569399.db2.gz XSXNLLRJQJDRKJ-VLOYRQLPSA-N 1 3 348.535 2.519 20 0 EFADHO CCn1cc(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000377765977 476569922 /nfs/dbraw/zinc/56/99/22/476569922.db2.gz VTZBPMXTZYLMGW-SFTDATJTSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1cc(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000377765977 476569926 /nfs/dbraw/zinc/56/99/26/476569926.db2.gz VTZBPMXTZYLMGW-SFTDATJTSA-N 1 3 338.499 2.899 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCCN2CC)[NH+](C)C)cc1 ZINC000354311911 476577052 /nfs/dbraw/zinc/57/70/52/476577052.db2.gz OYLPDFXMATXVPG-RBUKOAKNSA-N 1 3 331.504 2.842 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000361080448 476587408 /nfs/dbraw/zinc/58/74/08/476587408.db2.gz ROFAXQHXKBYFSL-INIZCTEOSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000357807830 476620889 /nfs/dbraw/zinc/62/08/89/476620889.db2.gz BAGNHLSDHIWXCR-ZIFCJYIRSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000357807830 476620893 /nfs/dbraw/zinc/62/08/93/476620893.db2.gz BAGNHLSDHIWXCR-ZIFCJYIRSA-N 1 3 346.519 2.850 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CCN(C)CC1)CC(C)C ZINC000357815813 476625264 /nfs/dbraw/zinc/62/52/64/476625264.db2.gz NOFCNZLKIOHJTD-SJLPKXTDSA-N 1 3 338.540 2.693 20 0 EFADHO C[NH+]1CCC2(CCCN([C@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000370005016 476628237 /nfs/dbraw/zinc/62/82/37/476628237.db2.gz HBELUTXFEQKUIM-SFHVURJKSA-N 1 3 327.472 2.748 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000363302232 476643873 /nfs/dbraw/zinc/64/38/73/476643873.db2.gz GQFAXCKXURCDHI-KRWDZBQOSA-N 1 3 341.565 2.538 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352341586 476649033 /nfs/dbraw/zinc/64/90/33/476649033.db2.gz YXCPWFSFMIRNEW-OALUTQOASA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352341586 476649040 /nfs/dbraw/zinc/64/90/40/476649040.db2.gz YXCPWFSFMIRNEW-OALUTQOASA-N 1 3 346.519 2.771 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CC[N@@H+]1C ZINC000378027473 476674702 /nfs/dbraw/zinc/67/47/02/476674702.db2.gz QKTXPPYQRNFLMD-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN2CCc2ccccc2)CC[N@H+]1C ZINC000378027473 476674705 /nfs/dbraw/zinc/67/47/05/476674705.db2.gz QKTXPPYQRNFLMD-IHPCNDPISA-N 1 3 343.515 2.540 20 0 EFADHO CN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000443069789 476707830 /nfs/dbraw/zinc/70/78/30/476707830.db2.gz KNLILSAJTRIFGW-LPHOPBHVSA-N 1 3 329.488 2.583 20 0 EFADHO CN(C(=O)CN1CCC[C@@H](CC[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000443069792 476708203 /nfs/dbraw/zinc/70/82/03/476708203.db2.gz KNLILSAJTRIFGW-QFBILLFUSA-N 1 3 329.488 2.583 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000443635882 476716721 /nfs/dbraw/zinc/71/67/21/476716721.db2.gz ZKHSBQSXGHGAFA-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000443635882 476716729 /nfs/dbraw/zinc/71/67/29/476716729.db2.gz ZKHSBQSXGHGAFA-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000422626016 476721390 /nfs/dbraw/zinc/72/13/90/476721390.db2.gz DAPJOKPYWRYSJT-JHJVBQTASA-N 1 3 325.403 2.599 20 0 EFADHO C[C@@H]1C[C@@H](C)N(CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422631205 476723052 /nfs/dbraw/zinc/72/30/52/476723052.db2.gz FGLQHRATSHLJBB-BFYDXBDKSA-N 1 3 328.460 2.974 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379661927 476730477 /nfs/dbraw/zinc/73/04/77/476730477.db2.gz GUOYTOBJNGIMKA-GGPKGHCWSA-N 1 3 343.515 2.936 20 0 EFADHO COCCSCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000365852593 476732192 /nfs/dbraw/zinc/73/21/92/476732192.db2.gz AJZLAONDVIEYDU-IRXDYDNUSA-N 1 3 344.565 2.577 20 0 EFADHO CCOc1cc(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])ccc1OC(F)F ZINC000422695893 476734238 /nfs/dbraw/zinc/73/42/38/476734238.db2.gz QKRLMFYPGISCDE-FPMFFAJLSA-N 1 3 344.402 2.529 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701378 476735348 /nfs/dbraw/zinc/73/53/48/476735348.db2.gz BTZUWHILVSFMBM-DUVNUKRYSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422701378 476735352 /nfs/dbraw/zinc/73/53/52/476735352.db2.gz BTZUWHILVSFMBM-DUVNUKRYSA-N 1 3 338.293 2.745 20 0 EFADHO COCCN(C)CC[C@@H](N[C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709168 476737767 /nfs/dbraw/zinc/73/77/67/476737767.db2.gz CZDLGEOTTXKTRJ-MISYRCLQSA-N 1 3 333.520 2.816 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422711017 476739489 /nfs/dbraw/zinc/73/94/89/476739489.db2.gz MPGCDXXOCZLELL-FUHWJXTLSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422710910 476739687 /nfs/dbraw/zinc/73/96/87/476739687.db2.gz LWVNBMJQJAXAGY-OXQOHEQNSA-N 1 3 332.488 2.860 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000422712253 476739799 /nfs/dbraw/zinc/73/97/99/476739799.db2.gz NUAJMQKWPQZXKX-GUTXKFCHSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000422712253 476739807 /nfs/dbraw/zinc/73/98/07/476739807.db2.gz NUAJMQKWPQZXKX-GUTXKFCHSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422718071 476740705 /nfs/dbraw/zinc/74/07/05/476740705.db2.gz WKXRGDJADDLKIN-SJORKVTESA-N 1 3 325.566 2.845 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422716339 476741356 /nfs/dbraw/zinc/74/13/56/476741356.db2.gz JYVJWTZHCZMYBN-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCCC[C@H]3CN)CC2)oc1C ZINC000422719224 476742351 /nfs/dbraw/zinc/74/23/51/476742351.db2.gz YEIVVYPNYYRNMP-ROUUACIJSA-N 1 3 334.508 2.611 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 ZINC000422724209 476745224 /nfs/dbraw/zinc/74/52/24/476745224.db2.gz UXXFNNNDMDAQPW-RYGJVYDSSA-N 1 3 341.455 2.503 20 0 EFADHO c1ccc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000422728371 476746433 /nfs/dbraw/zinc/74/64/33/476746433.db2.gz FZGNEYYBKNILDA-NCYKPQTJSA-N 1 3 343.515 2.570 20 0 EFADHO C[C@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726442 476746599 /nfs/dbraw/zinc/74/65/99/476746599.db2.gz ZXTTXJZHDYUDLO-IFXJQAMLSA-N 1 3 337.458 2.907 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422726441 476747344 /nfs/dbraw/zinc/74/73/44/476747344.db2.gz ZXTTXJZHDYUDLO-AUUYWEPGSA-N 1 3 337.458 2.907 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734754 476750984 /nfs/dbraw/zinc/75/09/84/476750984.db2.gz TYBCIBBHMMRTQC-HEHGZKQESA-N 1 3 343.393 2.881 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734754 476750992 /nfs/dbraw/zinc/75/09/92/476750992.db2.gz TYBCIBBHMMRTQC-HEHGZKQESA-N 1 3 343.393 2.881 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)N(C)C)c1 ZINC000422737931 476753936 /nfs/dbraw/zinc/75/39/36/476753936.db2.gz XYSXUWHWTVLPCG-DQLDELGASA-N 1 3 341.499 2.846 20 0 EFADHO COc1cccc([C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)c1 ZINC000422737931 476753944 /nfs/dbraw/zinc/75/39/44/476753944.db2.gz XYSXUWHWTVLPCG-DQLDELGASA-N 1 3 341.499 2.846 20 0 EFADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)N)CCCC1 ZINC000422741993 476754179 /nfs/dbraw/zinc/75/41/79/476754179.db2.gz QQLCTPAACIIDNI-LZLYRXPVSA-N 1 3 332.488 2.849 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCCC1 ZINC000422741993 476754184 /nfs/dbraw/zinc/75/41/84/476754184.db2.gz QQLCTPAACIIDNI-LZLYRXPVSA-N 1 3 332.488 2.849 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422737958 476754251 /nfs/dbraw/zinc/75/42/51/476754251.db2.gz YCMAAKMAQSMEMA-BEVDRBHNSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000422737958 476754259 /nfs/dbraw/zinc/75/42/59/476754259.db2.gz YCMAAKMAQSMEMA-BEVDRBHNSA-N 1 3 329.463 2.977 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000422738373 476754545 /nfs/dbraw/zinc/75/45/45/476754545.db2.gz JPMOAGBKDYMAOE-XHSDSOJGSA-N 1 3 336.499 2.744 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](c2ncccc2C)C(C)C)CC[NH2+]CC1 ZINC000422749078 476757989 /nfs/dbraw/zinc/75/79/89/476757989.db2.gz XKQNXDNTOVRKKE-DLBZAZTESA-N 1 3 347.503 2.998 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 ZINC000422750796 476759423 /nfs/dbraw/zinc/75/94/23/476759423.db2.gz BOWULJWTJWVSSM-QUCCMNQESA-N 1 3 345.531 2.570 20 0 EFADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752658 476760090 /nfs/dbraw/zinc/76/00/90/476760090.db2.gz CWHDJAGOJAJPJS-FRYIKTPZSA-N 1 3 347.478 2.541 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000422756313 476761270 /nfs/dbraw/zinc/76/12/70/476761270.db2.gz HUNQVRCJIKOZDM-CEXWTWQISA-N 1 3 328.504 2.869 20 0 EFADHO Fc1ccccc1CSCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422761995 476764350 /nfs/dbraw/zinc/76/43/50/476764350.db2.gz HYKGFWNPONIMBK-CGTJXYLNSA-N 1 3 338.492 2.806 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422760990 476764778 /nfs/dbraw/zinc/76/47/78/476764778.db2.gz QSRNJMFSWYCSMK-RLLQIKCJSA-N 1 3 331.504 2.939 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@H](Cc3ccccc3)[C@@H](C)N)CC2)n1 ZINC000422765286 476766917 /nfs/dbraw/zinc/76/69/17/476766917.db2.gz QSAULCPLNFMLLW-YLJYHZDGSA-N 1 3 338.499 2.907 20 0 EFADHO Cc1cccc(N2CCC(N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])CC2)n1 ZINC000422765286 476766921 /nfs/dbraw/zinc/76/69/21/476766921.db2.gz QSAULCPLNFMLLW-YLJYHZDGSA-N 1 3 338.499 2.907 20 0 EFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000386641046 476767447 /nfs/dbraw/zinc/76/74/47/476767447.db2.gz TYMUFJKAYTWEDN-CTNGQTDRSA-N 1 3 349.478 2.654 20 0 EFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000386641054 476768407 /nfs/dbraw/zinc/76/84/07/476768407.db2.gz TYMUFJKAYTWEDN-PZJWPPBQSA-N 1 3 349.478 2.654 20 0 EFADHO c1cn(CCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000422773284 476769438 /nfs/dbraw/zinc/76/94/38/476769438.db2.gz ZRBWSXQPVSCZSL-GUDVDZBRSA-N 1 3 327.472 2.778 20 0 EFADHO COc1ccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC)c1 ZINC000422776560 476771062 /nfs/dbraw/zinc/77/10/62/476771062.db2.gz CZGWNHJXDYMOID-HNAYVOBHSA-N 1 3 328.456 2.794 20 0 EFADHO COC(=O)[C@@H]1C[N@H+](CCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000452006421 476771019 /nfs/dbraw/zinc/77/10/19/476771019.db2.gz OELUKUSEACYABD-RTBURBONSA-N 1 3 330.472 2.751 20 0 EFADHO COC(=O)[C@@H]1C[N@@H+](CCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000452006421 476771030 /nfs/dbraw/zinc/77/10/30/476771030.db2.gz OELUKUSEACYABD-RTBURBONSA-N 1 3 330.472 2.751 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1c1ccccc1 ZINC000452005275 476772378 /nfs/dbraw/zinc/77/23/78/476772378.db2.gz LWOIPMOTQLVXPI-GUDVDZBRSA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@@H]1CN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1c1ccccc1 ZINC000452005275 476772385 /nfs/dbraw/zinc/77/23/85/476772385.db2.gz LWOIPMOTQLVXPI-GUDVDZBRSA-N 1 3 330.472 2.749 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(=O)N(C)C)c1 ZINC000422785339 476774082 /nfs/dbraw/zinc/77/40/82/476774082.db2.gz QWVRZLHANSKCHL-APWZRJJASA-N 1 3 331.504 2.831 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784230 476774492 /nfs/dbraw/zinc/77/44/92/476774492.db2.gz NTZUFNATQYIIMB-IVSAIRAKSA-N 1 3 337.895 2.651 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784230 476774499 /nfs/dbraw/zinc/77/44/99/476774499.db2.gz NTZUFNATQYIIMB-IVSAIRAKSA-N 1 3 337.895 2.651 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cc(C)ccc2OC)CC[NH2+]CC1 ZINC000422788779 476776072 /nfs/dbraw/zinc/77/60/72/476776072.db2.gz RMMUGEWIKHLWGZ-CVEARBPZSA-N 1 3 348.487 2.976 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000422790477 476776599 /nfs/dbraw/zinc/77/65/99/476776599.db2.gz CBPYXLBOMJYTSZ-XNJGSVPQSA-N 1 3 328.859 2.608 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422790477 476776603 /nfs/dbraw/zinc/77/66/03/476776603.db2.gz CBPYXLBOMJYTSZ-XNJGSVPQSA-N 1 3 328.859 2.608 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422792920 476777645 /nfs/dbraw/zinc/77/76/45/476777645.db2.gz DXMVNCVVXKZXRJ-JCURWCKSSA-N 1 3 328.859 2.880 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422791194 476777674 /nfs/dbraw/zinc/77/76/74/476777674.db2.gz VPWURIIXSMAOHH-VAMGGRTRSA-N 1 3 327.516 2.596 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1 ZINC000445846722 476778106 /nfs/dbraw/zinc/77/81/06/476778106.db2.gz MNXMGUCXZWAXCG-GOSISDBHSA-N 1 3 346.519 2.853 20 0 EFADHO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422795849 476779720 /nfs/dbraw/zinc/77/97/20/476779720.db2.gz WUGHWVWYRBNBGT-ZIAGYGMSSA-N 1 3 329.444 2.975 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN1CCc2ccccc2C1 ZINC000422806087 476784195 /nfs/dbraw/zinc/78/41/95/476784195.db2.gz JYGPNMMCEJENLW-PGRDOPGGSA-N 1 3 337.511 2.983 20 0 EFADHO CN1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000365965025 476787056 /nfs/dbraw/zinc/78/70/56/476787056.db2.gz VJBGUZVLOLVNSX-QFBILLFUSA-N 1 3 349.544 2.979 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389869845 476787230 /nfs/dbraw/zinc/78/72/30/476787230.db2.gz IXWMSYFWXSRABB-NXHRZFHOSA-N 1 3 331.504 2.647 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000389866636 476787593 /nfs/dbraw/zinc/78/75/93/476787593.db2.gz GZCZYATXXKSSPB-LULLPPNCSA-N 1 3 329.488 2.531 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422816704 476791412 /nfs/dbraw/zinc/79/14/12/476791412.db2.gz FVBCHMAGKMNZGX-XYVMCAHJSA-N 1 3 336.451 2.730 20 0 EFADHO CCC(CC)[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])N1CCOCC1 ZINC000422820503 476793233 /nfs/dbraw/zinc/79/32/33/476793233.db2.gz QYVOUCWHFRCUMV-WMQCIHAUSA-N 1 3 347.547 2.672 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000422819076 476793709 /nfs/dbraw/zinc/79/37/09/476793709.db2.gz MFBMFBMGIWVLNK-NVXWUHKLSA-N 1 3 333.476 2.785 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422819111 476794624 /nfs/dbraw/zinc/79/46/24/476794624.db2.gz MJFHPRXDPBKYPN-JXFKEZNVSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN(C)Cc1ccc(F)cc1 ZINC000422819111 476794630 /nfs/dbraw/zinc/79/46/30/476794630.db2.gz MJFHPRXDPBKYPN-JXFKEZNVSA-N 1 3 329.463 2.806 20 0 EFADHO Cc1cccc(CN2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)c1 ZINC000365986272 476797797 /nfs/dbraw/zinc/79/77/97/476797797.db2.gz QCUPUCVHFHHUHC-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Fc1ccc2c(CCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c2c1 ZINC000422838019 476802595 /nfs/dbraw/zinc/80/25/95/476802595.db2.gz NNTVVTSDJSWYCP-OKZBNKHCSA-N 1 3 331.435 2.596 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000422842184 476804605 /nfs/dbraw/zinc/80/46/05/476804605.db2.gz FGPGUCDFHKDFDA-HKUYNNGSSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422841407 476805478 /nfs/dbraw/zinc/80/54/78/476805478.db2.gz CXWNHMNPFIQKOC-PKOBYXMFSA-N 1 3 347.572 2.896 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422846616 476807936 /nfs/dbraw/zinc/80/79/36/476807936.db2.gz QDMDJTKGNUGBAF-IPMKNSEASA-N 1 3 332.463 2.994 20 0 EFADHO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000375393032 476812765 /nfs/dbraw/zinc/81/27/65/476812765.db2.gz SZRIBOFJSOAEMU-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000375393032 476812770 /nfs/dbraw/zinc/81/27/70/476812770.db2.gz SZRIBOFJSOAEMU-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOC(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000375393032 476812776 /nfs/dbraw/zinc/81/27/76/476812776.db2.gz SZRIBOFJSOAEMU-ICSRJNTNSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCC[NH2+]1 ZINC000422868241 476818929 /nfs/dbraw/zinc/81/89/29/476818929.db2.gz URDHEYTUPNGVRE-RDTXWAMCSA-N 1 3 333.451 2.551 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCOc1ccc2ccccc2c1 ZINC000422882512 476825108 /nfs/dbraw/zinc/82/51/08/476825108.db2.gz AVAABYLEJYREIP-BEVDRBHNSA-N 1 3 328.456 2.951 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCCOc1ccc2ccccc2c1 ZINC000422882512 476825113 /nfs/dbraw/zinc/82/51/13/476825113.db2.gz AVAABYLEJYREIP-BEVDRBHNSA-N 1 3 328.456 2.951 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)cc1OC(F)F ZINC000422885601 476827007 /nfs/dbraw/zinc/82/70/07/476827007.db2.gz YXHFLNHCTUEUHC-OCCSQVGLSA-N 1 3 328.403 2.817 20 0 EFADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)cc1OC(F)F ZINC000422885601 476827009 /nfs/dbraw/zinc/82/70/09/476827009.db2.gz YXHFLNHCTUEUHC-OCCSQVGLSA-N 1 3 328.403 2.817 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000392703563 476829422 /nfs/dbraw/zinc/82/94/22/476829422.db2.gz GZBSKIITRWRSKN-QRVBRYPASA-N 1 3 329.488 2.847 20 0 EFADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)N)CCCC2)c1 ZINC000422891690 476830191 /nfs/dbraw/zinc/83/01/91/476830191.db2.gz VZOUQZNEGAPMKF-ATZDWAIDSA-N 1 3 332.488 2.849 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422897862 476833167 /nfs/dbraw/zinc/83/31/67/476833167.db2.gz KKHPPXQGFNPBMQ-BTHPGYMESA-N 1 3 332.488 2.635 20 0 EFADHO COc1ccc(C2(C[NH2+][C@@H]3CCCC[C@@H]3CN)CCOCC2)cc1 ZINC000422896879 476833266 /nfs/dbraw/zinc/83/32/66/476833266.db2.gz IWFDPXUIVJFPEW-VQIMIIECSA-N 1 3 332.488 2.851 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422900004 476835847 /nfs/dbraw/zinc/83/58/47/476835847.db2.gz PQRNKHFTRNVVKQ-HSALFYBXSA-N 1 3 331.504 2.637 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902630 476837173 /nfs/dbraw/zinc/83/71/73/476837173.db2.gz NHHXVSQAAWKRBR-HOTGVXAUSA-N 1 3 338.927 2.568 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902630 476837179 /nfs/dbraw/zinc/83/71/79/476837179.db2.gz NHHXVSQAAWKRBR-HOTGVXAUSA-N 1 3 338.927 2.568 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902732 476837616 /nfs/dbraw/zinc/83/76/16/476837616.db2.gz NHHXVSQAAWKRBR-JKSUJKDBSA-N 1 3 338.927 2.568 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902732 476837623 /nfs/dbraw/zinc/83/76/23/476837623.db2.gz NHHXVSQAAWKRBR-JKSUJKDBSA-N 1 3 338.927 2.568 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119935 476838447 /nfs/dbraw/zinc/83/84/47/476838447.db2.gz QMJPZMXFDKBXHV-NHCUHLMSSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119935 476838456 /nfs/dbraw/zinc/83/84/56/476838456.db2.gz QMJPZMXFDKBXHV-NHCUHLMSSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422906462 476838908 /nfs/dbraw/zinc/83/89/08/476838908.db2.gz JUBUYDUWZFINHS-CLCXKQKWSA-N 1 3 337.458 2.907 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422908187 476840753 /nfs/dbraw/zinc/84/07/53/476840753.db2.gz MCVFREZTBILYBO-VNQPRFMTSA-N 1 3 337.895 2.905 20 0 EFADHO C[C@H]1CN(CCSCc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370500861 476841363 /nfs/dbraw/zinc/84/13/63/476841363.db2.gz SGHJIMKRPLWMCS-ICSRJNTNSA-N 1 3 347.572 2.878 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cccc(OCCN(C)C)c1 ZINC000422913865 476842927 /nfs/dbraw/zinc/84/29/27/476842927.db2.gz QZTJMENVYYJPGE-OXQOHEQNSA-N 1 3 327.472 2.997 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1C ZINC000422917120 476844647 /nfs/dbraw/zinc/84/46/47/476844647.db2.gz CMXXTUPETKOYCL-FCGDIQPGSA-N 1 3 332.488 2.899 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422915292 476845679 /nfs/dbraw/zinc/84/56/79/476845679.db2.gz ARCOZFDFZUVMNA-TXCZRRACSA-N 1 3 338.879 2.854 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H](C)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422921195 476846560 /nfs/dbraw/zinc/84/65/60/476846560.db2.gz NQSRFMKMTSGMTI-XLIONFOSSA-N 1 3 330.520 2.767 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000430546136 476851866 /nfs/dbraw/zinc/85/18/66/476851866.db2.gz JBPCLYJUMYCFGS-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCOc1cccc(Br)c1 ZINC000422951590 476862493 /nfs/dbraw/zinc/86/24/93/476862493.db2.gz ZEGMQNNWJSZKNC-WFASDCNBSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951590 476862497 /nfs/dbraw/zinc/86/24/97/476862497.db2.gz ZEGMQNNWJSZKNC-WFASDCNBSA-N 1 3 327.266 2.935 20 0 EFADHO C[C@](C[NH3+])(NCCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000430567952 476863186 /nfs/dbraw/zinc/86/31/86/476863186.db2.gz BQLKGNYVXKQHNC-OAHLLOKOSA-N 1 3 329.366 2.751 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422951190 476863403 /nfs/dbraw/zinc/86/34/03/476863403.db2.gz ZUJIAXSPZCCVDB-CYBMUJFWSA-N 1 3 342.443 2.537 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000398026561 476864951 /nfs/dbraw/zinc/86/49/51/476864951.db2.gz DWLGLZCLOGPLFM-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1(N)CCCCC1 ZINC000398026561 476864961 /nfs/dbraw/zinc/86/49/61/476864961.db2.gz DWLGLZCLOGPLFM-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)c1cccs1 ZINC000422953829 476865331 /nfs/dbraw/zinc/86/53/31/476865331.db2.gz GPSVXSXAGZIKGH-OWCLPIDISA-N 1 3 335.517 2.768 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000422953829 476865338 /nfs/dbraw/zinc/86/53/38/476865338.db2.gz GPSVXSXAGZIKGH-OWCLPIDISA-N 1 3 335.517 2.768 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1cncn1C ZINC000398036173 476867013 /nfs/dbraw/zinc/86/70/13/476867013.db2.gz PWTXBTGHNZWSQC-FXAWDEMLSA-N 1 3 326.488 2.853 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCNc1cccc(Br)c1 ZINC000422964450 476868897 /nfs/dbraw/zinc/86/88/97/476868897.db2.gz LRBRXJFFHQNDHK-WFASDCNBSA-N 1 3 326.282 2.968 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCCNc1cccc(Br)c1 ZINC000422964450 476868891 /nfs/dbraw/zinc/86/88/91/476868891.db2.gz LRBRXJFFHQNDHK-WFASDCNBSA-N 1 3 326.282 2.968 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000398137392 476868830 /nfs/dbraw/zinc/86/88/30/476868830.db2.gz LHHXVUGHUSWHOB-MDNKFWRPSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000398175848 476868913 /nfs/dbraw/zinc/86/89/13/476868913.db2.gz VTMTWAYYVQRMDW-OQIJWPOYSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000398175850 476869030 /nfs/dbraw/zinc/86/90/30/476869030.db2.gz VTMTWAYYVQRMDW-XGXHKWSGSA-N 1 3 329.488 2.673 20 0 EFADHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CC1(C)C ZINC000414084428 476871079 /nfs/dbraw/zinc/87/10/79/476871079.db2.gz XFEXTVUJXWJSOF-ZWKOTPCHSA-N 1 3 331.504 2.892 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414111039 476872490 /nfs/dbraw/zinc/87/24/90/476872490.db2.gz IRTDFFKSYUGBGV-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422971300 476873082 /nfs/dbraw/zinc/87/30/82/476873082.db2.gz YCLGECPTAGJJDQ-JXFKEZNVSA-N 1 3 332.488 2.860 20 0 EFADHO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414187218 476874997 /nfs/dbraw/zinc/87/49/97/476874997.db2.gz IETMSNNZFFIDQO-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430600512 476875974 /nfs/dbraw/zinc/87/59/74/476875974.db2.gz SBSOPLGFKUVROT-STQMWFEESA-N 1 3 339.867 2.736 20 0 EFADHO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201600 476876213 /nfs/dbraw/zinc/87/62/13/476876213.db2.gz SRDXMBVGIJYRGP-ROUUACIJSA-N 1 3 337.552 2.587 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000457104801 476876735 /nfs/dbraw/zinc/87/67/35/476876735.db2.gz BWAPUOOSEQXGAN-PMACEKPBSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000457104801 476876743 /nfs/dbraw/zinc/87/67/43/476876743.db2.gz BWAPUOOSEQXGAN-PMACEKPBSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccccc1 ZINC000422983128 476877782 /nfs/dbraw/zinc/87/77/82/476877782.db2.gz YOTAQECVDFQFCC-WCIQWLHISA-N 1 3 331.504 2.870 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000422986074 476879724 /nfs/dbraw/zinc/87/97/24/476879724.db2.gz BHOYPNRWUHIFHV-QRTARXTBSA-N 1 3 344.421 2.964 20 0 EFADHO Fc1ccc(CC2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422989427 476881125 /nfs/dbraw/zinc/88/11/25/476881125.db2.gz LTXMWZMEURCMJZ-CEXWTWQISA-N 1 3 332.463 2.895 20 0 EFADHO Fc1ccc(CC2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000422989429 476881830 /nfs/dbraw/zinc/88/18/30/476881830.db2.gz LTXMWZMEURCMJZ-GUDVDZBRSA-N 1 3 332.463 2.895 20 0 EFADHO COc1cc(NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000422997773 476885235 /nfs/dbraw/zinc/88/52/35/476885235.db2.gz BWTOHMBLHDNTRS-OTWHNJEPSA-N 1 3 333.476 2.626 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H](C)[NH3+] ZINC000399744925 476886038 /nfs/dbraw/zinc/88/60/38/476886038.db2.gz MPOQPRQPSPIYGO-RWQQGDIJSA-N 1 3 331.504 2.775 20 0 EFADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423003687 476888232 /nfs/dbraw/zinc/88/82/32/476888232.db2.gz MZZVEMUSTVQVOY-IPMKNSEASA-N 1 3 332.488 2.720 20 0 EFADHO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717151 476889368 /nfs/dbraw/zinc/88/93/68/476889368.db2.gz XUNMHERQNMAFHM-PMACEKPBSA-N 1 3 345.531 2.835 20 0 EFADHO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717151 476889371 /nfs/dbraw/zinc/88/93/71/476889371.db2.gz XUNMHERQNMAFHM-PMACEKPBSA-N 1 3 345.531 2.835 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000423012386 476891132 /nfs/dbraw/zinc/89/11/32/476891132.db2.gz KPVXLWQSSVHHNV-FHLIZLRMSA-N 1 3 336.426 2.743 20 0 EFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473805 476891472 /nfs/dbraw/zinc/89/14/72/476891472.db2.gz YZUWLUYMWWLQMP-UCHQMPSGSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473805 476891474 /nfs/dbraw/zinc/89/14/74/476891474.db2.gz YZUWLUYMWWLQMP-UCHQMPSGSA-N 1 3 337.508 2.989 20 0 EFADHO COc1ccc(C[C@H](C)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423016601 476893471 /nfs/dbraw/zinc/89/34/71/476893471.db2.gz UDMJTRJHZFVDQR-KCUHQSDYSA-N 1 3 332.488 2.621 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423021247 476894467 /nfs/dbraw/zinc/89/44/67/476894467.db2.gz DVOOXGZLJUKGNP-OLZOCXBDSA-N 1 3 340.414 2.937 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423023524 476894849 /nfs/dbraw/zinc/89/48/49/476894849.db2.gz JVLDONVBLSSOQZ-NORZTCDRSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423023524 476894852 /nfs/dbraw/zinc/89/48/52/476894852.db2.gz JVLDONVBLSSOQZ-NORZTCDRSA-N 1 3 326.843 2.853 20 0 EFADHO CC(C)N1CCN(c2cccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000423022540 476895142 /nfs/dbraw/zinc/89/51/42/476895142.db2.gz FKEPZZVSACOZOW-DFNIBXOVSA-N 1 3 328.504 2.912 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029047 476897113 /nfs/dbraw/zinc/89/71/13/476897113.db2.gz HMVGBZXCKNSHQT-BBRMVZONSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@H]1CCNCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029047 476897124 /nfs/dbraw/zinc/89/71/24/476897124.db2.gz HMVGBZXCKNSHQT-BBRMVZONSA-N 1 3 332.423 2.786 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H](N)C3)C[C@@H]2C1 ZINC000401119041 476897183 /nfs/dbraw/zinc/89/71/83/476897183.db2.gz MYMOLYBYSRJZGC-NNXHMXCWSA-N 1 3 337.508 2.882 20 0 EFADHO Fc1ccc(-c2noc(CCCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000423027320 476897444 /nfs/dbraw/zinc/89/74/44/476897444.db2.gz CZTUONFWENWFHV-XYPWUTKMSA-N 1 3 330.407 2.681 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000446623943 476898147 /nfs/dbraw/zinc/89/81/47/476898147.db2.gz MJUAINMIVLPVJR-UHFFFAOYSA-N 1 3 346.519 2.681 20 0 EFADHO CCC(CC)(CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)OC ZINC000423037351 476899912 /nfs/dbraw/zinc/89/99/12/476899912.db2.gz MTAGUYVBIJSKRC-UZLBHIALSA-N 1 3 346.471 2.811 20 0 EFADHO COCC1(CNCc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000414957618 476901994 /nfs/dbraw/zinc/90/19/94/476901994.db2.gz QFRJYXIPFBTCLI-UHFFFAOYSA-N 1 3 332.366 2.691 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430708630 476903846 /nfs/dbraw/zinc/90/38/46/476903846.db2.gz KBIZGEZOAWOTNB-FUHWJXTLSA-N 1 3 331.504 2.746 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000430708630 476903854 /nfs/dbraw/zinc/90/38/54/476903854.db2.gz KBIZGEZOAWOTNB-FUHWJXTLSA-N 1 3 331.504 2.746 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])OC(C)C ZINC000423048124 476904836 /nfs/dbraw/zinc/90/48/36/476904836.db2.gz HRQAONSPEWKEAI-XZKMEQPCSA-N 1 3 336.476 2.503 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423054754 476908511 /nfs/dbraw/zinc/90/85/11/476908511.db2.gz UYLCJDAUGCTIOU-ZIAGYGMSSA-N 1 3 331.382 2.815 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423056111 476909020 /nfs/dbraw/zinc/90/90/20/476909020.db2.gz XDGOMLAQEVESJF-UHOSZYNNSA-N 1 3 332.488 2.715 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000370649507 476914761 /nfs/dbraw/zinc/91/47/61/476914761.db2.gz FEVKZKMUPUCVEL-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000370649507 476914766 /nfs/dbraw/zinc/91/47/66/476914766.db2.gz FEVKZKMUPUCVEL-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1cccs1 ZINC000430806993 476920324 /nfs/dbraw/zinc/92/03/24/476920324.db2.gz OGMMRYVIPAMXPS-HOCLYGCPSA-N 1 3 335.517 2.766 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000366258938 476929055 /nfs/dbraw/zinc/92/90/55/476929055.db2.gz KZGYATHIKZAYNJ-MCIONIFRSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366258938 476929064 /nfs/dbraw/zinc/92/90/64/476929064.db2.gz KZGYATHIKZAYNJ-MCIONIFRSA-N 1 3 336.867 2.669 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423127431 476937880 /nfs/dbraw/zinc/93/78/80/476937880.db2.gz TVBHQNVGLUUGCK-DRPJVOAASA-N 1 3 330.394 2.750 20 0 EFADHO COc1ccc(CCN[C@@H]2CC[NH2+]CC[C@@H]2C)c(Cl)c1OC ZINC000423128434 476939657 /nfs/dbraw/zinc/93/96/57/476939657.db2.gz CXMWHUJYHSMECP-GXTWGEPZSA-N 1 3 326.868 2.877 20 0 EFADHO COc1ccc(CC[NH2+][C@@H]2CCNCC[C@@H]2C)c(Cl)c1OC ZINC000423128434 476939660 /nfs/dbraw/zinc/93/96/60/476939660.db2.gz CXMWHUJYHSMECP-GXTWGEPZSA-N 1 3 326.868 2.877 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000370704329 476943580 /nfs/dbraw/zinc/94/35/80/476943580.db2.gz YHZQGIFMAQRSEZ-DYESRHJHSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000370704329 476943587 /nfs/dbraw/zinc/94/35/87/476943587.db2.gz YHZQGIFMAQRSEZ-DYESRHJHSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCOc1ccc(Cl)c(Cl)c1 ZINC000423152875 476946302 /nfs/dbraw/zinc/94/63/02/476946302.db2.gz FVXRPYJBLKJKAB-ITDIGPHOSA-N 1 3 333.259 2.714 20 0 EFADHO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1C ZINC000423165737 476950214 /nfs/dbraw/zinc/95/02/14/476950214.db2.gz QFARJJVEDWGSNJ-QFBILLFUSA-N 1 3 327.472 2.720 20 0 EFADHO COc1cccc([C@H]2C[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423164922 476950971 /nfs/dbraw/zinc/95/09/71/476950971.db2.gz UAJDPHRXZPFOEO-YKXHTNLXSA-N 1 3 330.472 2.688 20 0 EFADHO [NH3+]C[C@H]1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430964708 476952246 /nfs/dbraw/zinc/95/22/46/476952246.db2.gz IUYMPQUPQZBBEK-QGZVFWFLSA-N 1 3 337.467 2.563 20 0 EFADHO COc1cc(F)cc(C[C@H](C)N[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423168316 476952822 /nfs/dbraw/zinc/95/28/22/476952822.db2.gz UHIDJSTUHZSKKU-NUDXDXSLSA-N 1 3 336.451 2.512 20 0 EFADHO [NH3+]C[C@@H]1CCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430964032 476952903 /nfs/dbraw/zinc/95/29/03/476952903.db2.gz XGMAJAPVXFBXIC-KXBFYZLASA-N 1 3 343.496 2.624 20 0 EFADHO CC[C@@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423177630 476953936 /nfs/dbraw/zinc/95/39/36/476953936.db2.gz JFKXRBONVTXSGJ-MRXNPFEDSA-N 1 3 325.884 2.685 20 0 EFADHO CC[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1Br ZINC000423183408 476956858 /nfs/dbraw/zinc/95/68/58/476956858.db2.gz RREXIFKXRFLZCL-MRXNPFEDSA-N 1 3 340.309 2.785 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCCC[NH2+]Cc1cccnc1)CC2 ZINC000423191804 476958752 /nfs/dbraw/zinc/95/87/52/476958752.db2.gz UBVSVTWFKTURGE-SFHVURJKSA-N 1 3 341.455 2.856 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000415890795 476959552 /nfs/dbraw/zinc/95/95/52/476959552.db2.gz DXUJRIKHCMKKEM-INIZCTEOSA-N 1 3 342.487 2.672 20 0 EFADHO O=C(c1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1)N1CCCCC1 ZINC000431012505 476959521 /nfs/dbraw/zinc/95/95/21/476959521.db2.gz FNSCLEMEQOVSMO-UHFFFAOYSA-N 1 3 341.499 2.888 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000415890801 476959777 /nfs/dbraw/zinc/95/97/77/476959777.db2.gz DXUJRIKHCMKKEM-MRXNPFEDSA-N 1 3 342.487 2.672 20 0 EFADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431014781 476960027 /nfs/dbraw/zinc/96/00/27/476960027.db2.gz PBSPSNUHDTXHLK-INIZCTEOSA-N 1 3 347.528 2.659 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431017297 476960329 /nfs/dbraw/zinc/96/03/29/476960329.db2.gz PHVFKPQAFHXPRW-LSDHHAIUSA-N 1 3 349.906 2.981 20 0 EFADHO Clc1ccc2c(c1Cl)OCCC[C@@H]2NCCN1CC[NH2+]CC1 ZINC000423199065 476962174 /nfs/dbraw/zinc/96/21/74/476962174.db2.gz AOAPMMYIOTXQSH-AWEZNQCLSA-N 1 3 344.286 2.702 20 0 EFADHO Cc1nc(-c2ccccc2F)sc1[C@@H](C)NCCN1CC[NH2+]CC1 ZINC000423202794 476962547 /nfs/dbraw/zinc/96/25/47/476962547.db2.gz LJQIVEQPEVTBMG-CYBMUJFWSA-N 1 3 348.491 2.813 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000415901321 476962706 /nfs/dbraw/zinc/96/27/06/476962706.db2.gz MOQXTDJVNGSUNH-SFHVURJKSA-N 1 3 340.471 2.700 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccc4c(c3)CNCC4)C2)CC1 ZINC000415901933 476963604 /nfs/dbraw/zinc/96/36/04/476963604.db2.gz VGQARPCIHBISGI-KRWDZBQOSA-N 1 3 342.487 2.528 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431032515 476963717 /nfs/dbraw/zinc/96/37/17/476963717.db2.gz JWWWEECTEHUKSF-DLBZAZTESA-N 1 3 329.488 2.636 20 0 EFADHO CN(CC[N@H+](C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000408520999 476963970 /nfs/dbraw/zinc/96/39/70/476963970.db2.gz FECITWNTLLMPIJ-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000408520999 476963979 /nfs/dbraw/zinc/96/39/79/476963979.db2.gz FECITWNTLLMPIJ-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO C[C@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000431030109 476964180 /nfs/dbraw/zinc/96/41/80/476964180.db2.gz JIJLMGXVRJDOHE-AWEZNQCLSA-N 1 3 335.879 2.593 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000415907068 476965839 /nfs/dbraw/zinc/96/58/39/476965839.db2.gz ZOELXHYCSXVEJK-SFHVURJKSA-N 1 3 326.444 2.830 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000431063238 476970036 /nfs/dbraw/zinc/97/00/36/476970036.db2.gz YVZXFNCRJRQJED-ZKIDJSGLSA-N 1 3 341.499 2.859 20 0 EFADHO CC1CCN(CC[N@H+](C)C2CCN(CCc3ccccn3)CC2)CC1 ZINC000366361765 476971545 /nfs/dbraw/zinc/97/15/45/476971545.db2.gz VLULAPGFWGCWAM-UHFFFAOYSA-N 1 3 344.547 2.752 20 0 EFADHO CC1CCN(CC[N@@H+](C)C2CCN(CCc3ccccn3)CC2)CC1 ZINC000366361765 476971550 /nfs/dbraw/zinc/97/15/50/476971550.db2.gz VLULAPGFWGCWAM-UHFFFAOYSA-N 1 3 344.547 2.752 20 0 EFADHO CNCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000415928662 476972521 /nfs/dbraw/zinc/97/25/21/476972521.db2.gz YHOWJNCAQQHIAB-INIZCTEOSA-N 1 3 330.476 2.746 20 0 EFADHO C[NH2+]CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763279 476972969 /nfs/dbraw/zinc/97/29/69/476972969.db2.gz IBRHIAXSMVEXDV-FQEVSTJZSA-N 1 3 329.488 2.501 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000415987781 476977238 /nfs/dbraw/zinc/97/72/38/476977238.db2.gz YMVBETKKCLZMLW-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO O=C1O[C@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742015 476981723 /nfs/dbraw/zinc/98/17/23/476981723.db2.gz GHPIZOGVDQXMDT-ICSRJNTNSA-N 1 3 340.467 2.680 20 0 EFADHO O=C1O[C@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742015 476981733 /nfs/dbraw/zinc/98/17/33/476981733.db2.gz GHPIZOGVDQXMDT-ICSRJNTNSA-N 1 3 340.467 2.680 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)Nc1ccc2c(c1)CNCCO2)C(C)C ZINC000415994347 476982154 /nfs/dbraw/zinc/98/21/54/476982154.db2.gz VKOZCKASZGZCKA-UHFFFAOYSA-N 1 3 348.491 2.751 20 0 EFADHO O=C([C@H]1CCCN(Cc2ccccc2)C1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789173 476984354 /nfs/dbraw/zinc/98/43/54/476984354.db2.gz UTKFLLYTIMOPDZ-SFHVURJKSA-N 1 3 341.499 2.642 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000423309073 476988367 /nfs/dbraw/zinc/98/83/67/476988367.db2.gz KWHNKPKTKKUVBI-KFKAGJAMSA-N 1 3 349.519 2.814 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000423311829 476990820 /nfs/dbraw/zinc/99/08/20/476990820.db2.gz UKRKBTKRNGDWCB-GDBMZVCRSA-N 1 3 335.517 2.779 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000447440466 476993802 /nfs/dbraw/zinc/99/38/02/476993802.db2.gz MIVMQNFWAGXWIG-BJLQDIEVSA-N 1 3 325.456 2.863 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000447440467 476993990 /nfs/dbraw/zinc/99/39/90/476993990.db2.gz MIVMQNFWAGXWIG-GGPKGHCWSA-N 1 3 325.456 2.863 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000423328536 476995343 /nfs/dbraw/zinc/99/53/43/476995343.db2.gz KTGDFTGMOHVOQJ-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000423328536 476995353 /nfs/dbraw/zinc/99/53/53/476995353.db2.gz KTGDFTGMOHVOQJ-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000423328537 476995484 /nfs/dbraw/zinc/99/54/84/476995484.db2.gz KTGDFTGMOHVOQJ-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000423328537 476995489 /nfs/dbraw/zinc/99/54/89/476995489.db2.gz KTGDFTGMOHVOQJ-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@]2(C)CCCNC2)cc1 ZINC000423325880 476996238 /nfs/dbraw/zinc/99/62/38/476996238.db2.gz CDCJIVRRIAZJAN-MOPGFXCFSA-N 1 3 327.476 2.697 20 0 EFADHO C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(I)cc1 ZINC000423325808 476996418 /nfs/dbraw/zinc/99/64/18/476996418.db2.gz LTYWOLBETRYZIJ-SNVBAGLBSA-N 1 3 330.213 2.823 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423353099 477002564 /nfs/dbraw/zinc/00/25/64/477002564.db2.gz AYUUNXNJGOIMCH-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@H](N)c1ccccc1 ZINC000423353099 477002569 /nfs/dbraw/zinc/00/25/69/477002569.db2.gz AYUUNXNJGOIMCH-SOLBZPMBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423372954 477008601 /nfs/dbraw/zinc/00/86/01/477008601.db2.gz HKWHBLZKFCMCIC-INIZCTEOSA-N 1 3 337.467 2.517 20 0 EFADHO C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423372954 477008607 /nfs/dbraw/zinc/00/86/07/477008607.db2.gz HKWHBLZKFCMCIC-INIZCTEOSA-N 1 3 337.467 2.517 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000423368407 477009081 /nfs/dbraw/zinc/00/90/81/477009081.db2.gz ZSKMPIGJVVUFBU-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c(c2)CNC3)cc1 ZINC000423368407 477009085 /nfs/dbraw/zinc/00/90/85/477009085.db2.gz ZSKMPIGJVVUFBU-CQSZACIVSA-N 1 3 339.439 2.805 20 0 EFADHO CC1(C)C[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423377889 477009788 /nfs/dbraw/zinc/00/97/88/477009788.db2.gz FQUSPUSTOISIIH-CVEARBPZSA-N 1 3 341.421 2.835 20 0 EFADHO CC[NH2+][C@H](C)CN[C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423377265 477010907 /nfs/dbraw/zinc/01/09/07/477010907.db2.gz KETBWILNSGAXAY-OAGGEKHMSA-N 1 3 343.471 2.572 20 0 EFADHO Cc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000423388489 477014165 /nfs/dbraw/zinc/01/41/65/477014165.db2.gz MUGTZPKTBIGCDT-HOCLYGCPSA-N 1 3 329.410 2.790 20 0 EFADHO Cc1ccc([C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)cc1 ZINC000423398401 477017321 /nfs/dbraw/zinc/01/73/21/477017321.db2.gz VIOXZKPZKVHRRD-SJORKVTESA-N 1 3 341.421 2.872 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423399730 477017638 /nfs/dbraw/zinc/01/76/38/477017638.db2.gz UWHORTYYZRZZFU-IIBYNOLFSA-N 1 3 336.483 2.685 20 0 EFADHO Cc1ccc([C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C2CC2)cc1 ZINC000423398395 477017777 /nfs/dbraw/zinc/01/77/77/477017777.db2.gz VIOXZKPZKVHRRD-DLBZAZTESA-N 1 3 341.421 2.872 20 0 EFADHO CC[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(OC)cc1 ZINC000423401899 477019889 /nfs/dbraw/zinc/01/98/89/477019889.db2.gz XTZYRMOEWRNQBD-CVEARBPZSA-N 1 3 345.409 2.572 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1NCCCC1(C)C ZINC000423403161 477020114 /nfs/dbraw/zinc/02/01/14/477020114.db2.gz YZHFZSJSGAZQEE-NZSAHSFTSA-N 1 3 330.520 2.660 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423403161 477020117 /nfs/dbraw/zinc/02/01/17/477020117.db2.gz YZHFZSJSGAZQEE-NZSAHSFTSA-N 1 3 330.520 2.660 20 0 EFADHO Fc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423404663 477020660 /nfs/dbraw/zinc/02/06/60/477020660.db2.gz ZZTXOSQQKWSJGE-HOTGVXAUSA-N 1 3 345.384 2.629 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCc1ccc2c(c1)CNC2 ZINC000423406948 477020709 /nfs/dbraw/zinc/02/07/09/477020709.db2.gz ZMWFAWXZRMRLKT-PZJWPPBQSA-N 1 3 335.451 2.635 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423407050 477021111 /nfs/dbraw/zinc/02/11/11/477021111.db2.gz LQZIDKUUMKVEDV-SFHVURJKSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)C2CCC2)CCCC1)c1ccccc1 ZINC000423411188 477022587 /nfs/dbraw/zinc/02/25/87/477022587.db2.gz TULKAYQQUSMOMX-MAUKXSAKSA-N 1 3 329.488 2.894 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[C@H](C)CCN2)ccc1OCC[NH+]1CCCC1 ZINC000423415113 477024104 /nfs/dbraw/zinc/02/41/04/477024104.db2.gz OOVCXNLZQNSDRG-CRAIPNDOSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[C@@H](C)CCN2)ccc1OCC[NH+]1CCCC1 ZINC000423415116 477024720 /nfs/dbraw/zinc/02/47/20/477024720.db2.gz OOVCXNLZQNSDRG-YJBOKZPZSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1cc(NC(=O)[C@@H](N)C2CCC2)ccc1OCC[NH+]1CCCC1 ZINC000423412998 477024939 /nfs/dbraw/zinc/02/49/39/477024939.db2.gz JEMWMOYLHGCJKG-SFHVURJKSA-N 1 3 331.460 2.536 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420163 477028619 /nfs/dbraw/zinc/02/86/19/477028619.db2.gz BCACACDRQIDZFX-GPMSIDNRSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420163 477028624 /nfs/dbraw/zinc/02/86/24/477028624.db2.gz BCACACDRQIDZFX-GPMSIDNRSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000423420681 477028824 /nfs/dbraw/zinc/02/88/24/477028824.db2.gz JOTADLQDKFZXNC-PNBKFKSVSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H](C)[NH3+] ZINC000423424747 477029976 /nfs/dbraw/zinc/02/99/76/477029976.db2.gz NOKGOQFJVIRDHV-NXNVCVFFSA-N 1 3 337.533 2.867 20 0 EFADHO Cc1cc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000423426467 477030312 /nfs/dbraw/zinc/03/03/12/477030312.db2.gz PIBUZUBSOQZQSC-AWEZNQCLSA-N 1 3 341.459 2.730 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H]2NCCc3ccccc32)[C@@H](C)C1 ZINC000423445565 477036675 /nfs/dbraw/zinc/03/66/75/477036675.db2.gz YKIQZHIUGXKSNT-DZFGPLHGSA-N 1 3 345.531 2.600 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H]2NCCc3ccccc32)[C@@H](C)C1 ZINC000423445565 477036682 /nfs/dbraw/zinc/03/66/82/477036682.db2.gz YKIQZHIUGXKSNT-DZFGPLHGSA-N 1 3 345.531 2.600 20 0 EFADHO Cc1c([C@H](C)NCCC[C@@H]2CCC[NH2+]2)nnn1-c1ccc(F)cc1 ZINC000423477468 477043253 /nfs/dbraw/zinc/04/32/53/477043253.db2.gz JXEHJEHLRHPPOX-XJKSGUPXSA-N 1 3 331.439 2.898 20 0 EFADHO C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000423487892 477046083 /nfs/dbraw/zinc/04/60/83/477046083.db2.gz USDSHRZJHKOANT-MAUKXSAKSA-N 1 3 337.458 2.669 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CNCCCO2)cc1F ZINC000423497735 477049217 /nfs/dbraw/zinc/04/92/17/477049217.db2.gz ZGDIYJQJGRPSRV-RYRKJORJSA-N 1 3 336.451 2.829 20 0 EFADHO COc1ccc([C@@H]2CCCC[C@@H]2NC[C@H]2C[NH2+]CCCO2)cc1F ZINC000423497735 477049223 /nfs/dbraw/zinc/04/92/23/477049223.db2.gz ZGDIYJQJGRPSRV-RYRKJORJSA-N 1 3 336.451 2.829 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535040 477056204 /nfs/dbraw/zinc/05/62/04/477056204.db2.gz MJTJSGZMSCDSHI-OALUTQOASA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535040 477056211 /nfs/dbraw/zinc/05/62/11/477056211.db2.gz MJTJSGZMSCDSHI-OALUTQOASA-N 1 3 337.508 2.661 20 0 EFADHO C[C@@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000447811437 477063099 /nfs/dbraw/zinc/06/30/99/477063099.db2.gz FNBBXMACNULDFG-IBGZPJMESA-N 1 3 338.499 2.987 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000431649119 477067536 /nfs/dbraw/zinc/06/75/36/477067536.db2.gz NJUKDKQBVYUZNO-WMZOPIPTSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828995 477068531 /nfs/dbraw/zinc/06/85/31/477068531.db2.gz RKNBTEZDKUYSDO-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447828995 477068534 /nfs/dbraw/zinc/06/85/34/477068534.db2.gz RKNBTEZDKUYSDO-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828995 477068544 /nfs/dbraw/zinc/06/85/44/477068544.db2.gz RKNBTEZDKUYSDO-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1C[C@H](C)O ZINC000447828995 477068552 /nfs/dbraw/zinc/06/85/52/477068552.db2.gz RKNBTEZDKUYSDO-RDGPPVDQSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839262 477072328 /nfs/dbraw/zinc/07/23/28/477072328.db2.gz ITCOWNQJHANDHB-ZOMPHEGZSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447839262 477072332 /nfs/dbraw/zinc/07/23/32/477072332.db2.gz ITCOWNQJHANDHB-ZOMPHEGZSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1C[C@H](C)O ZINC000447839262 477072335 /nfs/dbraw/zinc/07/23/35/477072335.db2.gz ITCOWNQJHANDHB-ZOMPHEGZSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](O)C[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1C[C@H](C)O ZINC000447839262 477072339 /nfs/dbraw/zinc/07/23/39/477072339.db2.gz ITCOWNQJHANDHB-ZOMPHEGZSA-N 1 3 338.536 2.793 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423609965 477083989 /nfs/dbraw/zinc/08/39/89/477083989.db2.gz MGCIYMYZQKYNLE-QUCCMNQESA-N 1 3 337.467 2.563 20 0 EFADHO CC1(C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000423615380 477087054 /nfs/dbraw/zinc/08/70/54/477087054.db2.gz RCTPNPBUQLGRRO-IBGZPJMESA-N 1 3 343.515 2.876 20 0 EFADHO CC1(C(=O)N2CCC[C@H](CC[NH3+])C2)CCN(Cc2ccccc2)CC1 ZINC000423615381 477087492 /nfs/dbraw/zinc/08/74/92/477087492.db2.gz RCTPNPBUQLGRRO-LJQANCHMSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)N1CCC(C)CC1 ZINC000431777609 477094705 /nfs/dbraw/zinc/09/47/05/477094705.db2.gz ZMQWRZFPNNZXPW-IEBWSBKVSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000431803403 477098169 /nfs/dbraw/zinc/09/81/69/477098169.db2.gz XWQPSVVORAKAKT-PKOBYXMFSA-N 1 3 329.488 2.624 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000447947100 477098263 /nfs/dbraw/zinc/09/82/63/477098263.db2.gz APRMARSBLJBBGS-CVEARBPZSA-N 1 3 340.556 2.772 20 0 EFADHO CN(C)[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000431803400 477098657 /nfs/dbraw/zinc/09/86/57/477098657.db2.gz XWQPSVVORAKAKT-HKUYNNGSSA-N 1 3 329.488 2.624 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000447968892 477106111 /nfs/dbraw/zinc/10/61/11/477106111.db2.gz SSBIDVIRFVMYCK-SFHVURJKSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431852402 477108265 /nfs/dbraw/zinc/10/82/65/477108265.db2.gz WYUUMNARPAUHNB-IEBWSBKVSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)N(C)C)C1 ZINC000431852402 477108268 /nfs/dbraw/zinc/10/82/68/477108268.db2.gz WYUUMNARPAUHNB-IEBWSBKVSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431852649 477109168 /nfs/dbraw/zinc/10/91/68/477109168.db2.gz YNQLWCDLAGOBNT-QYZOEREBSA-N 1 3 329.488 2.765 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3C3CCCC3)CC[C@H]21 ZINC000431860118 477110403 /nfs/dbraw/zinc/11/04/03/477110403.db2.gz UEJFBJFKCFUJQR-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3C3CCCC3)CC[C@H]21 ZINC000431860118 477110407 /nfs/dbraw/zinc/11/04/07/477110407.db2.gz UEJFBJFKCFUJQR-BHIYHBOVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000423723146 477122579 /nfs/dbraw/zinc/12/25/79/477122579.db2.gz GXMPYHBORQCZGD-BEFAXECRSA-N 1 3 325.456 2.701 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366666651 477123586 /nfs/dbraw/zinc/12/35/86/477123586.db2.gz FDTLIBJZGPZXIX-HGHGUNKESA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000423726247 477123959 /nfs/dbraw/zinc/12/39/59/477123959.db2.gz JHJRMDHDSXNEDS-NBMJBFSESA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000423726247 477123968 /nfs/dbraw/zinc/12/39/68/477123968.db2.gz JHJRMDHDSXNEDS-NBMJBFSESA-N 1 3 329.488 2.593 20 0 EFADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423735256 477126747 /nfs/dbraw/zinc/12/67/47/477126747.db2.gz AQNPTOUAJWURGQ-WOJBJXKFSA-N 1 3 343.515 2.529 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423738332 477127874 /nfs/dbraw/zinc/12/78/74/477127874.db2.gz DQZRYHWOLDDJQS-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CNC(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411147820 477129170 /nfs/dbraw/zinc/12/91/70/477129170.db2.gz YNKWSYVVUDUPQY-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448101506 477130397 /nfs/dbraw/zinc/13/03/97/477130397.db2.gz CZZVKLAHYQAQSK-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448101506 477130406 /nfs/dbraw/zinc/13/04/06/477130406.db2.gz CZZVKLAHYQAQSK-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CC[NH2+][C@H](C(=O)N2CCCN(CCCc3ccccc3)CC2)C1 ZINC000423745710 477130377 /nfs/dbraw/zinc/13/03/77/477130377.db2.gz MTAHZHGOLCNAKV-ICSRJNTNSA-N 1 3 343.515 2.542 20 0 EFADHO C[NH2+]C[C@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423751403 477132754 /nfs/dbraw/zinc/13/27/54/477132754.db2.gz FICUNRVANFFBIS-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO C[NH2+]C[C@@H](C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423751404 477133572 /nfs/dbraw/zinc/13/35/72/477133572.db2.gz FICUNRVANFFBIS-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)CC1CCCCC1)C1CC[NH2+]CC1 ZINC000423761971 477136734 /nfs/dbraw/zinc/13/67/34/477136734.db2.gz PSDNTLZHTMCFCJ-QGZVFWFLSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423764362 477136783 /nfs/dbraw/zinc/13/67/83/477136783.db2.gz SSFCEUMHOKJXAS-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO O=C([C@@H]1CCC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423764906 477136823 /nfs/dbraw/zinc/13/68/23/477136823.db2.gz WGWDUJGDFNTFPI-QGZVFWFLSA-N 1 3 349.906 2.764 20 0 EFADHO C[C@@H]([NH3+])CCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763378 477137015 /nfs/dbraw/zinc/13/70/15/477137015.db2.gz UMSFQMHYXKWPCV-OAHLLOKOSA-N 1 3 337.895 2.892 20 0 EFADHO NC(=O)CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411176473 477140240 /nfs/dbraw/zinc/14/02/40/477140240.db2.gz SWXLHVNRRPAOFA-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CN(C)C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423782222 477142802 /nfs/dbraw/zinc/14/28/02/477142802.db2.gz YPFHYYMCMAEBOH-WMLDXEAASA-N 1 3 337.895 2.839 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423786931 477144976 /nfs/dbraw/zinc/14/49/76/477144976.db2.gz VUEGAZZBTGLPLL-HLIPFELVSA-N 1 3 343.515 2.649 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)CC2 ZINC000423787102 477145207 /nfs/dbraw/zinc/14/52/07/477145207.db2.gz WGVLXOHQFPDWBZ-OQIJWPOYSA-N 1 3 329.488 2.796 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[C@@H](N)c1ccccc1)CC2 ZINC000423787102 477145211 /nfs/dbraw/zinc/14/52/11/477145211.db2.gz WGVLXOHQFPDWBZ-OQIJWPOYSA-N 1 3 329.488 2.796 20 0 EFADHO N[C@@H](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000448236647 477148448 /nfs/dbraw/zinc/14/84/48/477148448.db2.gz BTNZQGRCDFXCGG-IBGZPJMESA-N 1 3 329.488 2.847 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncn1 ZINC000453079014 477161239 /nfs/dbraw/zinc/16/12/39/477161239.db2.gz NZBIBGLTHYNTIL-GOSISDBHSA-N 1 3 339.487 2.730 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743350 477163007 /nfs/dbraw/zinc/16/30/07/477163007.db2.gz FNKJUKNUFMCAGV-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743350 477163011 /nfs/dbraw/zinc/16/30/11/477163011.db2.gz FNKJUKNUFMCAGV-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453097691 477166385 /nfs/dbraw/zinc/16/63/85/477166385.db2.gz UYFWDOKNHRVKAI-GDAAHCPNSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000457743800 477174919 /nfs/dbraw/zinc/17/49/19/477174919.db2.gz RBFGCGVJYUEOQB-QZTJIDSGSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000457743800 477174927 /nfs/dbraw/zinc/17/49/27/477174927.db2.gz RBFGCGVJYUEOQB-QZTJIDSGSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000457743803 477175714 /nfs/dbraw/zinc/17/57/14/477175714.db2.gz RBFGCGVJYUEOQB-ZWKOTPCHSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000457743803 477175720 /nfs/dbraw/zinc/17/57/20/477175720.db2.gz RBFGCGVJYUEOQB-ZWKOTPCHSA-N 1 3 338.540 2.765 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453141170 477176733 /nfs/dbraw/zinc/17/67/33/477176733.db2.gz KTBQFCYRBZQIAZ-QGLKVJOYSA-N 1 3 326.484 2.956 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453141170 477176741 /nfs/dbraw/zinc/17/67/41/477176741.db2.gz KTBQFCYRBZQIAZ-QGLKVJOYSA-N 1 3 326.484 2.956 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)CNCC3CC3)c2)CC1 ZINC000423837148 477177458 /nfs/dbraw/zinc/17/74/58/477177458.db2.gz GRPAQZJFNFMUCY-UHFFFAOYSA-N 1 3 329.488 2.899 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453141700 477177845 /nfs/dbraw/zinc/17/78/45/477177845.db2.gz HMRURYSNKZNIDD-BQJUDKOJSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453141700 477177851 /nfs/dbraw/zinc/17/78/51/477177851.db2.gz HMRURYSNKZNIDD-BQJUDKOJSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000457750548 477178621 /nfs/dbraw/zinc/17/86/21/477178621.db2.gz RNMXEKGWCFZGIS-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO N[C@@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000423851427 477185519 /nfs/dbraw/zinc/18/55/19/477185519.db2.gz QNOPDGMRMKMCGR-LJQANCHMSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000423851427 477185527 /nfs/dbraw/zinc/18/55/27/477185527.db2.gz QNOPDGMRMKMCGR-LJQANCHMSA-N 1 3 341.499 2.629 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)CC(F)F)c2)CC1 ZINC000423857571 477188637 /nfs/dbraw/zinc/18/86/37/477188637.db2.gz YQCRTLOPCMRRJB-INIZCTEOSA-N 1 3 339.430 2.882 20 0 EFADHO c1cc(C[NH+]2CCCCC2)ccc1CN1CC[C@@H](N2CCOCC2)C1 ZINC000411309317 477190458 /nfs/dbraw/zinc/19/04/58/477190458.db2.gz JSZDAHVUDBHHRX-OAQYLSRUSA-N 1 3 343.515 2.579 20 0 EFADHO O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411335165 477197630 /nfs/dbraw/zinc/19/76/30/477197630.db2.gz QPHQJVRTHIGTAR-MOPGFXCFSA-N 1 3 327.472 2.525 20 0 EFADHO Cc1nccn1CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000371259352 477203706 /nfs/dbraw/zinc/20/37/06/477203706.db2.gz SLPATFDLACKROH-QZTJIDSGSA-N 1 3 348.535 2.793 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423899023 477207332 /nfs/dbraw/zinc/20/73/32/477207332.db2.gz ITYROHYWEAXLGL-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)C2(N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423899023 477207336 /nfs/dbraw/zinc/20/73/36/477207336.db2.gz ITYROHYWEAXLGL-SJLPKXTDSA-N 1 3 329.488 2.675 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000411380094 477211661 /nfs/dbraw/zinc/21/16/61/477211661.db2.gz GKHCTWQIOZESOJ-GOSISDBHSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000411380094 477211667 /nfs/dbraw/zinc/21/16/67/477211667.db2.gz GKHCTWQIOZESOJ-GOSISDBHSA-N 1 3 341.499 2.887 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907619 477212265 /nfs/dbraw/zinc/21/22/65/477212265.db2.gz RMGYBELXJZSBHD-SLFFLAALSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907619 477212267 /nfs/dbraw/zinc/21/22/67/477212267.db2.gz RMGYBELXJZSBHD-SLFFLAALSA-N 1 3 341.499 2.642 20 0 EFADHO CC[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427486 477213833 /nfs/dbraw/zinc/21/38/33/477213833.db2.gz YVQKJGAKCXAOAG-WMZOPIPTSA-N 1 3 348.487 2.999 20 0 EFADHO CC[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427486 477213837 /nfs/dbraw/zinc/21/38/37/477213837.db2.gz YVQKJGAKCXAOAG-WMZOPIPTSA-N 1 3 348.487 2.999 20 0 EFADHO O=C1C[C@@]2(CN1)CCCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000411394168 477218010 /nfs/dbraw/zinc/21/80/10/477218010.db2.gz YBBSYIXYFXCYRB-OAQYLSRUSA-N 1 3 341.499 2.775 20 0 EFADHO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000411394168 477218015 /nfs/dbraw/zinc/21/80/15/477218015.db2.gz YBBSYIXYFXCYRB-OAQYLSRUSA-N 1 3 341.499 2.775 20 0 EFADHO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cccc(CN3CCCCC3)c1)C2 ZINC000411394168 477218019 /nfs/dbraw/zinc/21/80/19/477218019.db2.gz YBBSYIXYFXCYRB-OAQYLSRUSA-N 1 3 341.499 2.775 20 0 EFADHO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000453383425 477218243 /nfs/dbraw/zinc/21/82/43/477218243.db2.gz SPTQCUOJQHOOFY-FRYIKTPZSA-N 1 3 343.515 2.791 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000371284493 477218679 /nfs/dbraw/zinc/21/86/79/477218679.db2.gz OQLATCASZRTPLG-AERCQKQUSA-N 1 3 349.478 2.608 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000371284493 477218685 /nfs/dbraw/zinc/21/86/85/477218685.db2.gz OQLATCASZRTPLG-AERCQKQUSA-N 1 3 349.478 2.608 20 0 EFADHO COC[C@@](C)(CC(=O)OC)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411396077 477218977 /nfs/dbraw/zinc/21/89/77/477218977.db2.gz WQAXJGDGLSWXDR-HXUWFJFHSA-N 1 3 348.487 2.730 20 0 EFADHO C[C@H](NCCCC[N@H+](C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453393730 477222271 /nfs/dbraw/zinc/22/22/71/477222271.db2.gz GANHDYLSYSGIKH-ZDUSSCGKSA-N 1 3 342.480 2.754 20 0 EFADHO C[C@H](NCCCC[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000453393730 477222282 /nfs/dbraw/zinc/22/22/82/477222282.db2.gz GANHDYLSYSGIKH-ZDUSSCGKSA-N 1 3 342.480 2.754 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCC(=O)N1 ZINC000453425040 477230377 /nfs/dbraw/zinc/23/03/77/477230377.db2.gz NRPFOLQKJIIRDA-RCLSDMTESA-N 1 3 341.499 2.545 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000411461563 477243816 /nfs/dbraw/zinc/24/38/16/477243816.db2.gz WMTIXFJKRZUILG-KRWDZBQOSA-N 1 3 345.531 2.931 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000423981289 477244325 /nfs/dbraw/zinc/24/43/25/477244325.db2.gz ZFEMFDGUQBSBGQ-LJQANCHMSA-N 1 3 325.456 2.958 20 0 EFADHO Cc1cccc([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000411474581 477247462 /nfs/dbraw/zinc/24/74/62/477247462.db2.gz YIKMMCBPUMPNCM-QGZVFWFLSA-N 1 3 331.504 2.943 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000411476064 477249394 /nfs/dbraw/zinc/24/93/94/477249394.db2.gz GBLQWIBWYXWXFY-IBGZPJMESA-N 1 3 349.494 2.583 20 0 EFADHO O=C1NCCCC[C@@H]1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371354608 477261220 /nfs/dbraw/zinc/26/12/20/477261220.db2.gz MXPLBHDQKMOHIX-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO O=C1NCCCC[C@@H]1N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371354608 477261226 /nfs/dbraw/zinc/26/12/26/477261226.db2.gz MXPLBHDQKMOHIX-IBGZPJMESA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000457939853 477265956 /nfs/dbraw/zinc/26/59/56/477265956.db2.gz FSJMUTWVBGCPCM-AOIWGVFYSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H](O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000411568843 477278875 /nfs/dbraw/zinc/27/88/75/477278875.db2.gz MJTFXTQIYYPIEO-MOPGFXCFSA-N 1 3 345.531 2.559 20 0 EFADHO C[C@H](O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000411568844 477278914 /nfs/dbraw/zinc/27/89/14/477278914.db2.gz MJTFXTQIYYPIEO-OALUTQOASA-N 1 3 345.531 2.559 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1(C)C ZINC000367025153 477302788 /nfs/dbraw/zinc/30/27/88/477302788.db2.gz WXJLKCXGNIRFJP-QGZVFWFLSA-N 1 3 335.467 2.655 20 0 EFADHO Cc1ccc(C)c(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027007 477303628 /nfs/dbraw/zinc/30/36/28/477303628.db2.gz DTSCJFNOOPKTGN-VQTJNVASSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027007 477303636 /nfs/dbraw/zinc/30/36/36/477303636.db2.gz DTSCJFNOOPKTGN-VQTJNVASSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1ccc(C)c(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000367027007 477303644 /nfs/dbraw/zinc/30/36/44/477303644.db2.gz DTSCJFNOOPKTGN-VQTJNVASSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1cc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)ccc1OCC[NH+](C)C ZINC000458186949 477311500 /nfs/dbraw/zinc/31/15/00/477311500.db2.gz APOISRDTKICJOD-HOTGVXAUSA-N 1 3 333.476 2.747 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416791715 477312688 /nfs/dbraw/zinc/31/26/88/477312688.db2.gz XDKAEYSSOHPBDQ-ZWKOTPCHSA-N 1 3 332.492 2.640 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000411667806 477318453 /nfs/dbraw/zinc/31/84/53/477318453.db2.gz WVWDYFIJHRXLAM-LJQANCHMSA-N 1 3 327.472 2.593 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000411667806 477318462 /nfs/dbraw/zinc/31/84/62/477318462.db2.gz WVWDYFIJHRXLAM-LJQANCHMSA-N 1 3 327.472 2.593 20 0 EFADHO CC(C)(CNC(=O)NC[C@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000433549165 477325253 /nfs/dbraw/zinc/32/52/53/477325253.db2.gz HBJYQULDXJOZSP-QGZVFWFLSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000416836511 477329174 /nfs/dbraw/zinc/32/91/74/477329174.db2.gz GKTABNUARXHAPP-NZSAHSFTSA-N 1 3 346.519 2.838 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000416836573 477329669 /nfs/dbraw/zinc/32/96/69/477329669.db2.gz GSJCTPKZNZZPJM-OALUTQOASA-N 1 3 346.519 2.683 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416839500 477330701 /nfs/dbraw/zinc/33/07/01/477330701.db2.gz KBQATQQYVYWGQX-YTQUADARSA-N 1 3 346.519 2.886 20 0 EFADHO CCCN(C(=O)NC[C@H](c1ccccc1)N(CC)CC)[C@@H]1CC[NH2+]C1 ZINC000416838859 477330824 /nfs/dbraw/zinc/33/08/24/477330824.db2.gz JHBMGMPLJVOICX-RTBURBONSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416839495 477330912 /nfs/dbraw/zinc/33/09/12/477330912.db2.gz KBQATQQYVYWGQX-NZSAHSFTSA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@H]1C ZINC000434356834 477333937 /nfs/dbraw/zinc/33/39/37/477333937.db2.gz YYSYZXLDHNIPAM-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCCN2C2CC2)C[C@H]1C ZINC000434356834 477333947 /nfs/dbraw/zinc/33/39/47/477333947.db2.gz YYSYZXLDHNIPAM-BPQIPLTHSA-N 1 3 336.524 2.518 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000416846586 477334663 /nfs/dbraw/zinc/33/46/63/477334663.db2.gz ULIYWUQBKGTQEP-MSOLQXFVSA-N 1 3 334.508 2.524 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000416847296 477335158 /nfs/dbraw/zinc/33/51/58/477335158.db2.gz VGRSANLUJXAHCR-GJZGRUSLSA-N 1 3 338.521 2.702 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000416849230 477335882 /nfs/dbraw/zinc/33/58/82/477335882.db2.gz XOCVFADWONPHEH-LJQANCHMSA-N 1 3 344.503 2.679 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000416848449 477336550 /nfs/dbraw/zinc/33/65/50/477336550.db2.gz WRVLRAZGRGMTJQ-ABHNRTSZSA-N 1 3 332.492 2.639 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NCCCN(C)Cc2ccccc2)CC1 ZINC000416877889 477349722 /nfs/dbraw/zinc/34/97/22/477349722.db2.gz VGCDWRJMODGNOA-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](CCSC(C)(C)C)CC2)CC1 ZINC000367125795 477353856 /nfs/dbraw/zinc/35/38/56/477353856.db2.gz IHJXFULBGSDUKI-UHFFFAOYSA-N 1 3 327.582 2.868 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424296770 477360220 /nfs/dbraw/zinc/36/02/20/477360220.db2.gz SHUQDZGDMWTUIW-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000411773926 477361479 /nfs/dbraw/zinc/36/14/79/477361479.db2.gz UOIBLOFIFJDXRT-RTWAWAEBSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424301180 477363664 /nfs/dbraw/zinc/36/36/64/477363664.db2.gz XJTZBUXYIJJOHP-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000458364273 477371696 /nfs/dbraw/zinc/37/16/96/477371696.db2.gz AFZLFIZRVYWOGC-MJGOQNOKSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000458364273 477371701 /nfs/dbraw/zinc/37/17/01/477371701.db2.gz AFZLFIZRVYWOGC-MJGOQNOKSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000458364275 477372025 /nfs/dbraw/zinc/37/20/25/477372025.db2.gz AFZLFIZRVYWOGC-PKOBYXMFSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000458364275 477372030 /nfs/dbraw/zinc/37/20/30/477372030.db2.gz AFZLFIZRVYWOGC-PKOBYXMFSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)N(C)Cc1ccccc1 ZINC000458371737 477375584 /nfs/dbraw/zinc/37/55/84/477375584.db2.gz HIOJSZHOVDOWEQ-KRWDZBQOSA-N 1 3 348.535 2.927 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000416939780 477378251 /nfs/dbraw/zinc/37/82/51/477378251.db2.gz NPLYLBYXBDCTHS-IBGZPJMESA-N 1 3 346.519 2.668 20 0 EFADHO O=C(NCCN1CCCCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435866412 477384657 /nfs/dbraw/zinc/38/46/57/477384657.db2.gz HGTXEQSDDNBQGG-GOSISDBHSA-N 1 3 336.524 2.569 20 0 EFADHO O=C(NCCN1CCCCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435866412 477384663 /nfs/dbraw/zinc/38/46/63/477384663.db2.gz HGTXEQSDDNBQGG-GOSISDBHSA-N 1 3 336.524 2.569 20 0 EFADHO O=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435866414 477384815 /nfs/dbraw/zinc/38/48/15/477384815.db2.gz HGTXEQSDDNBQGG-SFHVURJKSA-N 1 3 336.524 2.569 20 0 EFADHO O=C(NCCN1CCCCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435866414 477384819 /nfs/dbraw/zinc/38/48/19/477384819.db2.gz HGTXEQSDDNBQGG-SFHVURJKSA-N 1 3 336.524 2.569 20 0 EFADHO COc1cccc2c(C[NH+]3CCC(N(C)CCO)CC3)cccc12 ZINC000449027300 477397742 /nfs/dbraw/zinc/39/77/42/477397742.db2.gz LPSKIOYYPLMJGH-UHFFFAOYSA-N 1 3 328.456 2.737 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000416985025 477405222 /nfs/dbraw/zinc/40/52/22/477405222.db2.gz YIUZJZPNHLMMDG-LJQANCHMSA-N 1 3 346.519 2.632 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454866191 477410064 /nfs/dbraw/zinc/41/00/64/477410064.db2.gz BEKRDFBQXIQNKE-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccsc1 ZINC000417011168 477421612 /nfs/dbraw/zinc/42/16/12/477421612.db2.gz RHTIRKJTYVMOQV-INIZCTEOSA-N 1 3 338.521 2.511 20 0 EFADHO COc1cc(C[NH2+]C2CCN(CCN(C)C)CC2)cc2ccccc21 ZINC000449074904 477423759 /nfs/dbraw/zinc/42/37/59/477423759.db2.gz LQSYZVHXMWKNOK-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO CCCN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417014404 477424004 /nfs/dbraw/zinc/42/40/04/477424004.db2.gz DFIPYYGTAWIIPW-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1cccc(S(C)(=O)=O)c1 ZINC000449081408 477426763 /nfs/dbraw/zinc/42/67/63/477426763.db2.gz FBFAMUJANVZIDV-MRXNPFEDSA-N 1 3 338.517 2.834 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1cccc(S(C)(=O)=O)c1 ZINC000449081408 477426769 /nfs/dbraw/zinc/42/67/69/477426769.db2.gz FBFAMUJANVZIDV-MRXNPFEDSA-N 1 3 338.517 2.834 20 0 EFADHO CC[C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000417026358 477429341 /nfs/dbraw/zinc/42/93/41/477429341.db2.gz ZATQTGXUPNYBKL-QFBILLFUSA-N 1 3 346.519 2.640 20 0 EFADHO C[C@H](CNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000449088389 477432753 /nfs/dbraw/zinc/43/27/53/477432753.db2.gz HZMZYLJFOZMIGU-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)CN1CCCC1 ZINC000449088389 477432760 /nfs/dbraw/zinc/43/27/60/477432760.db2.gz HZMZYLJFOZMIGU-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000449088524 477432807 /nfs/dbraw/zinc/43/28/07/477432807.db2.gz HVQWLAFZASKHPK-SFHLNBCPSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC000454929369 477433643 /nfs/dbraw/zinc/43/36/43/477433643.db2.gz SSPYUGQVOQYDAL-FUHWJXTLSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccnn2C2CCCC2)C[C@H](C)O1 ZINC000449105543 477441020 /nfs/dbraw/zinc/44/10/20/477441020.db2.gz YTPNVMFILRZVSG-IRXDYDNUSA-N 1 3 334.508 2.977 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000371682008 477441274 /nfs/dbraw/zinc/44/12/74/477441274.db2.gz VNWYGEQOAVFYJY-AQNXPRMDSA-N 1 3 341.499 2.606 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105867 477442416 /nfs/dbraw/zinc/44/24/16/477442416.db2.gz JOMDAJVMHNWDII-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105867 477442419 /nfs/dbraw/zinc/44/24/19/477442419.db2.gz JOMDAJVMHNWDII-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105867 477442422 /nfs/dbraw/zinc/44/24/22/477442422.db2.gz JOMDAJVMHNWDII-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)C1 ZINC000449117378 477446944 /nfs/dbraw/zinc/44/69/44/477446944.db2.gz OIFAQLCZGWZQOI-MDZRGWNJSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208585 477447848 /nfs/dbraw/zinc/44/78/48/477447848.db2.gz BCRAXSVGFHOQMG-PKOBYXMFSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000436253680 477449770 /nfs/dbraw/zinc/44/97/70/477449770.db2.gz QJSMZRDVHHYKSO-XHSDSOJGSA-N 1 3 333.476 2.827 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000458497164 477451383 /nfs/dbraw/zinc/45/13/83/477451383.db2.gz NRLDKHLGFYMOBU-FUHWJXTLSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H](O)[C@H]2CCOC2)CC1 ZINC000449155332 477462385 /nfs/dbraw/zinc/46/23/85/477462385.db2.gz BEGZUDCWENASPS-RDJZCZTQSA-N 1 3 326.525 2.653 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000449160716 477463334 /nfs/dbraw/zinc/46/33/34/477463334.db2.gz MTLYQUPJUSTASX-QGZVFWFLSA-N 1 3 337.483 2.740 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000449159934 477463483 /nfs/dbraw/zinc/46/34/83/477463483.db2.gz JVAGCPCPANEMTA-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000418358467 477472661 /nfs/dbraw/zinc/47/26/61/477472661.db2.gz RMHXQXHQDPKDJF-MOPGFXCFSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000418358467 477472668 /nfs/dbraw/zinc/47/26/68/477472668.db2.gz RMHXQXHQDPKDJF-MOPGFXCFSA-N 1 3 346.519 2.934 20 0 EFADHO O=C(Nc1cnc2c(c1)CNCC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000367372308 477478334 /nfs/dbraw/zinc/47/83/34/477478334.db2.gz QWNMKVZGFALRIL-UHFFFAOYSA-N 1 3 336.439 2.575 20 0 EFADHO CC1(C)CCCN(CCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000418672720 477481711 /nfs/dbraw/zinc/48/17/11/477481711.db2.gz MTHOQIIKTMAGAR-SFHVURJKSA-N 1 3 346.519 2.888 20 0 EFADHO C[C@@H](CC(C)(C)C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000449217303 477492525 /nfs/dbraw/zinc/49/25/25/477492525.db2.gz YFDKEYZAJKUULH-WMZOPIPTSA-N 1 3 333.520 2.690 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449219824 477492888 /nfs/dbraw/zinc/49/28/88/477492888.db2.gz FJQMQTLBWFNGCY-GOSISDBHSA-N 1 3 348.466 2.673 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449223335 477493635 /nfs/dbraw/zinc/49/36/35/477493635.db2.gz XXLSNMUNNUOJGT-OAHLLOKOSA-N 1 3 338.517 2.658 20 0 EFADHO Cc1cccc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1F ZINC000449239156 477501768 /nfs/dbraw/zinc/50/17/68/477501768.db2.gz UXIAUAOAZISXSA-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)N1CCCCC1 ZINC000376823474 477519011 /nfs/dbraw/zinc/51/90/11/477519011.db2.gz QCKSRTAVQXMXGM-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO COc1cc(C)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449324425 477548047 /nfs/dbraw/zinc/54/80/47/477548047.db2.gz FKRHKPKCTOAUFW-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO COc1cc(C)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000449324425 477548053 /nfs/dbraw/zinc/54/80/53/477548053.db2.gz FKRHKPKCTOAUFW-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO COc1cc(C)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000449324425 477548059 /nfs/dbraw/zinc/54/80/59/477548059.db2.gz FKRHKPKCTOAUFW-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000455219408 477550644 /nfs/dbraw/zinc/55/06/44/477550644.db2.gz BOIJQQXOXSSFLY-KRWDZBQOSA-N 1 3 332.492 2.787 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1CCN(C)C ZINC000455219408 477550649 /nfs/dbraw/zinc/55/06/49/477550649.db2.gz BOIJQQXOXSSFLY-KRWDZBQOSA-N 1 3 332.492 2.787 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339740 477554767 /nfs/dbraw/zinc/55/47/67/477554767.db2.gz VABXCQNEPYUSSL-HZPDHXFCSA-N 1 3 340.533 2.904 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339740 477554770 /nfs/dbraw/zinc/55/47/70/477554770.db2.gz VABXCQNEPYUSSL-HZPDHXFCSA-N 1 3 340.533 2.904 20 0 EFADHO CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449399660 477562832 /nfs/dbraw/zinc/56/28/32/477562832.db2.gz CKPQTWWJMADZPZ-PXNSSMCTSA-N 1 3 333.520 2.979 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000458786614 477596575 /nfs/dbraw/zinc/59/65/75/477596575.db2.gz XFOVAHPAWKNDCO-WDSOQIARSA-N 1 3 346.519 2.802 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000458786614 477596579 /nfs/dbraw/zinc/59/65/79/477596579.db2.gz XFOVAHPAWKNDCO-WDSOQIARSA-N 1 3 346.519 2.802 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000458786612 477597387 /nfs/dbraw/zinc/59/73/87/477597387.db2.gz XFOVAHPAWKNDCO-UHOSZYNNSA-N 1 3 346.519 2.802 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000458786612 477597390 /nfs/dbraw/zinc/59/73/90/477597390.db2.gz XFOVAHPAWKNDCO-UHOSZYNNSA-N 1 3 346.519 2.802 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1)C1CC1 ZINC000425061519 477623872 /nfs/dbraw/zinc/62/38/72/477623872.db2.gz ZFQBLRIXAOUAAS-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1)C1CC1 ZINC000425061519 477623882 /nfs/dbraw/zinc/62/38/82/477623882.db2.gz ZFQBLRIXAOUAAS-AZUAARDMSA-N 1 3 341.499 2.837 20 0 EFADHO CC1(C)CCCN(CCNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458864438 477632707 /nfs/dbraw/zinc/63/27/07/477632707.db2.gz ZISOFPNZYSZDLP-UHFFFAOYSA-N 1 3 338.540 2.674 20 0 EFADHO CC1CCC(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000455442760 477633753 /nfs/dbraw/zinc/63/37/53/477633753.db2.gz HCLUSJMKLSTRHO-UDFCRJRASA-N 1 3 348.535 2.518 20 0 EFADHO CC1CCC(N2CCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000455442760 477633763 /nfs/dbraw/zinc/63/37/63/477633763.db2.gz HCLUSJMKLSTRHO-UDFCRJRASA-N 1 3 348.535 2.518 20 0 EFADHO C[C@H]1CN(CCc2ccc(Cl)cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000450652931 477670584 /nfs/dbraw/zinc/67/05/84/477670584.db2.gz NYKMZFRIYPKFJK-INIZCTEOSA-N 1 3 335.923 2.983 20 0 EFADHO C[C@H]1CN(CCc2ccc(Cl)cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000450652931 477670589 /nfs/dbraw/zinc/67/05/89/477670589.db2.gz NYKMZFRIYPKFJK-INIZCTEOSA-N 1 3 335.923 2.983 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000420298496 477672423 /nfs/dbraw/zinc/67/24/23/477672423.db2.gz HGOOEPCWHMSJNQ-SFTDATJTSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000420298496 477672430 /nfs/dbraw/zinc/67/24/30/477672430.db2.gz HGOOEPCWHMSJNQ-SFTDATJTSA-N 1 3 342.458 2.764 20 0 EFADHO Clc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000420299513 477673054 /nfs/dbraw/zinc/67/30/54/477673054.db2.gz IWMLPWNYKYJUKI-AWEZNQCLSA-N 1 3 327.925 2.909 20 0 EFADHO O=C(c1cccc(Cl)c1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420301699 477673349 /nfs/dbraw/zinc/67/33/49/477673349.db2.gz ITVUMUANCVQPLP-INIZCTEOSA-N 1 3 349.906 2.878 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(CC)[C@H]1CCC[NH2+]CC1 ZINC000420301324 477673541 /nfs/dbraw/zinc/67/35/41/477673541.db2.gz APUGUGNJSSQWGB-INIZCTEOSA-N 1 3 333.476 2.878 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+](CC)[C@H]1CCCNCC1 ZINC000420301324 477673549 /nfs/dbraw/zinc/67/35/49/477673549.db2.gz APUGUGNJSSQWGB-INIZCTEOSA-N 1 3 333.476 2.878 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+](CC)[C@H]1CCCNCC1 ZINC000420301324 477673556 /nfs/dbraw/zinc/67/35/56/477673556.db2.gz APUGUGNJSSQWGB-INIZCTEOSA-N 1 3 333.476 2.878 20 0 EFADHO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304118 477676607 /nfs/dbraw/zinc/67/66/07/477676607.db2.gz KXIMRGOHWXUKSB-PMACEKPBSA-N 1 3 330.447 2.969 20 0 EFADHO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304118 477676612 /nfs/dbraw/zinc/67/66/12/477676612.db2.gz KXIMRGOHWXUKSB-PMACEKPBSA-N 1 3 330.447 2.969 20 0 EFADHO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304971 477676916 /nfs/dbraw/zinc/67/69/16/477676916.db2.gz PBFOYOHPDFYMRS-MTOHEIAKSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304971 477676922 /nfs/dbraw/zinc/67/69/22/477676922.db2.gz PBFOYOHPDFYMRS-MTOHEIAKSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304971 477676928 /nfs/dbraw/zinc/67/69/28/477676928.db2.gz PBFOYOHPDFYMRS-MTOHEIAKSA-N 1 3 342.458 2.934 20 0 EFADHO Cc1noc(CCCN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000420306983 477679589 /nfs/dbraw/zinc/67/95/89/477679589.db2.gz IEUILPIRSUZSAZ-MOPGFXCFSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)n1 ZINC000420306983 477679598 /nfs/dbraw/zinc/67/95/98/477679598.db2.gz IEUILPIRSUZSAZ-MOPGFXCFSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)n1 ZINC000420306983 477679604 /nfs/dbraw/zinc/67/96/04/477679604.db2.gz IEUILPIRSUZSAZ-MOPGFXCFSA-N 1 3 342.487 2.983 20 0 EFADHO Brc1ccccc1OCCN1CCC2(C1)CC[NH2+]CC2 ZINC000420310481 477680991 /nfs/dbraw/zinc/68/09/91/477680991.db2.gz PXUYJILMDFLALI-UHFFFAOYSA-N 1 3 339.277 2.903 20 0 EFADHO COC(=O)c1cc2cc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2o1 ZINC000420310815 477681500 /nfs/dbraw/zinc/68/15/00/477681500.db2.gz QEYMUIKFTCTRTN-IMJJTQAJSA-N 1 3 328.412 2.779 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000420313262 477684937 /nfs/dbraw/zinc/68/49/37/477684937.db2.gz XVPYALQTAKUIMR-JBACZVJFSA-N 1 3 342.458 2.621 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000420313262 477684944 /nfs/dbraw/zinc/68/49/44/477684944.db2.gz XVPYALQTAKUIMR-JBACZVJFSA-N 1 3 342.458 2.621 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000420313262 477684949 /nfs/dbraw/zinc/68/49/49/477684949.db2.gz XVPYALQTAKUIMR-JBACZVJFSA-N 1 3 342.458 2.621 20 0 EFADHO Fc1ccc(CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420318222 477687591 /nfs/dbraw/zinc/68/75/91/477687591.db2.gz NVURFJLJUNLELW-AWEZNQCLSA-N 1 3 325.859 2.596 20 0 EFADHO COCC[N@@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420320525 477690349 /nfs/dbraw/zinc/69/03/49/477690349.db2.gz QLVDPBXUHYCTKN-LJQANCHMSA-N 1 3 328.456 2.886 20 0 EFADHO COCC[N@H+](Cc1ccccc1)C[C@@H](CN)c1ccc(OC)cc1 ZINC000420320525 477690353 /nfs/dbraw/zinc/69/03/53/477690353.db2.gz QLVDPBXUHYCTKN-LJQANCHMSA-N 1 3 328.456 2.886 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1 ZINC000420323579 477693053 /nfs/dbraw/zinc/69/30/53/477693053.db2.gz GDPRHSGSLDCUNX-RLFYNMQTSA-N 1 3 347.890 2.767 20 0 EFADHO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420324047 477694612 /nfs/dbraw/zinc/69/46/12/477694612.db2.gz AOJMNLYVYSRVPM-SOUVJXGZSA-N 1 3 335.879 2.907 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326363 477697287 /nfs/dbraw/zinc/69/72/87/477697287.db2.gz XLVVNNDZWVWJHF-MJGOQNOKSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326363 477697293 /nfs/dbraw/zinc/69/72/93/477697293.db2.gz XLVVNNDZWVWJHF-MJGOQNOKSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326363 477697300 /nfs/dbraw/zinc/69/73/00/477697300.db2.gz XLVVNNDZWVWJHF-MJGOQNOKSA-N 1 3 342.487 2.925 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN(C)C ZINC000425932512 477700487 /nfs/dbraw/zinc/70/04/87/477700487.db2.gz QLXAFHYWRYIZBN-HOTGVXAUSA-N 1 3 345.487 2.629 20 0 EFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330170 477700711 /nfs/dbraw/zinc/70/07/11/477700711.db2.gz AHPCDOWFQGEPMM-BHIYHBOVSA-N 1 3 341.499 2.676 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420332560 477701977 /nfs/dbraw/zinc/70/19/77/477701977.db2.gz RYDJOSVFEUEKLH-JTDSTZFVSA-N 1 3 345.462 2.643 20 0 EFADHO O=C(c1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1)N1CCCCC1 ZINC000420332393 477702014 /nfs/dbraw/zinc/70/20/14/477702014.db2.gz JICYYXJGBFQQAG-BGYRXZFFSA-N 1 3 341.499 2.744 20 0 EFADHO CCC[C@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420332401 477702151 /nfs/dbraw/zinc/70/21/51/477702151.db2.gz JITSOTJJPKSAFE-LMCOJAPRSA-N 1 3 343.515 2.964 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420332563 477702275 /nfs/dbraw/zinc/70/22/75/477702275.db2.gz RYDJOSVFEUEKLH-TXPKVOOTSA-N 1 3 345.462 2.643 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000420333912 477704037 /nfs/dbraw/zinc/70/40/37/477704037.db2.gz TXVRYYFQMAWHFQ-ZIFCJYIRSA-N 1 3 327.472 2.504 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Cl)c1 ZINC000420334827 477705028 /nfs/dbraw/zinc/70/50/28/477705028.db2.gz ULJBORCBJUVJMZ-RVKKMQEKSA-N 1 3 347.890 2.767 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420338839 477707161 /nfs/dbraw/zinc/70/71/61/477707161.db2.gz YCWNTGXWZDUDLK-FRQCXROJSA-N 1 3 345.462 2.643 20 0 EFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337922 477707566 /nfs/dbraw/zinc/70/75/66/477707566.db2.gz KHQQKKCNUFBEME-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339619 477708712 /nfs/dbraw/zinc/70/87/12/477708712.db2.gz MCZSZHFEQBZPSU-ZJOUEHCJSA-N 1 3 343.515 2.821 20 0 EFADHO [NH3+]C[C@H]1CN(CCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420340030 477709412 /nfs/dbraw/zinc/70/94/12/477709412.db2.gz ZPVGAHBRAPWPLT-SFHVURJKSA-N 1 3 340.467 2.906 20 0 EFADHO CCC[C@H](NC(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340116 477709481 /nfs/dbraw/zinc/70/94/81/477709481.db2.gz MQOISOIZFVDWQX-UFYCRDLUSA-N 1 3 343.515 2.966 20 0 EFADHO CCOc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420339485 477709695 /nfs/dbraw/zinc/70/96/95/477709695.db2.gz LUVWFRODOGGSRS-ULQDDVLXSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345797 477712667 /nfs/dbraw/zinc/71/26/67/477712667.db2.gz WRNHMMCNURWESQ-NXHRZFHOSA-N 1 3 347.478 2.667 20 0 EFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345419 477713202 /nfs/dbraw/zinc/71/32/02/477713202.db2.gz WFVUJJOVOBJYND-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(F)cc1 ZINC000420346682 477715754 /nfs/dbraw/zinc/71/57/54/477715754.db2.gz XEVXCVGXFBMFRI-FUHIMQAGSA-N 1 3 347.478 2.570 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000420369310 477726995 /nfs/dbraw/zinc/72/69/95/477726995.db2.gz UXXSOIPNHUPWHL-CQSZACIVSA-N 1 3 332.366 2.942 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000420371363 477728734 /nfs/dbraw/zinc/72/87/34/477728734.db2.gz DGFXKOOXJSKSKV-ROUUACIJSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000420371359 477729874 /nfs/dbraw/zinc/72/98/74/477729874.db2.gz DGFXKOOXJSKSKV-MSOLQXFVSA-N 1 3 338.879 2.937 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000420377100 477732743 /nfs/dbraw/zinc/73/27/43/477732743.db2.gz KQLVJPRQGYTUOX-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO CC[C@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(OC)cc1 ZINC000420377165 477733143 /nfs/dbraw/zinc/73/31/43/477733143.db2.gz RVBYCSHMQSWJNJ-UFYCRDLUSA-N 1 3 328.456 2.667 20 0 EFADHO NC[C@@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CCCO1 ZINC000420395979 477746005 /nfs/dbraw/zinc/74/60/05/477746005.db2.gz UYNUMWLLONNNEY-CQSZACIVSA-N 1 3 346.393 2.914 20 0 EFADHO NC[C@@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CCCO1 ZINC000420395979 477746011 /nfs/dbraw/zinc/74/60/11/477746011.db2.gz UYNUMWLLONNNEY-CQSZACIVSA-N 1 3 346.393 2.914 20 0 EFADHO C[C@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000420399834 477748767 /nfs/dbraw/zinc/74/87/67/477748767.db2.gz IGHXWNVAFUSHDL-RYUDHWBXSA-N 1 3 327.831 2.724 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420410585 477753551 /nfs/dbraw/zinc/75/35/51/477753551.db2.gz XZMFHPUUUMEILQ-QAPCUYQASA-N 1 3 333.451 2.927 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCN1C ZINC000437782915 477753562 /nfs/dbraw/zinc/75/35/62/477753562.db2.gz GWZJAUDPQMJXMV-NJAFHUGGSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCN1C ZINC000437782915 477753574 /nfs/dbraw/zinc/75/35/74/477753574.db2.gz GWZJAUDPQMJXMV-NJAFHUGGSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791191 477755565 /nfs/dbraw/zinc/75/55/65/477755565.db2.gz YSNFPBUYFUZIIV-GJYPPUQNSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791191 477755571 /nfs/dbraw/zinc/75/55/71/477755571.db2.gz YSNFPBUYFUZIIV-GJYPPUQNSA-N 1 3 348.535 2.708 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](NCCOCC[NH3+])c1ccccc1 ZINC000420420663 477757130 /nfs/dbraw/zinc/75/71/30/477757130.db2.gz YCQSFANEFYOTNY-LJQANCHMSA-N 1 3 328.456 2.988 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)[C@@H]2C1 ZINC000455837653 477763129 /nfs/dbraw/zinc/76/31/29/477763129.db2.gz BQLDQZUVZFGENQ-NIKGAXFTSA-N 1 3 342.487 2.793 20 0 EFADHO CC[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000427265948 477772074 /nfs/dbraw/zinc/77/20/74/477772074.db2.gz GBRJKTAGKHUWGA-XLIONFOSSA-N 1 3 343.515 2.719 20 0 EFADHO C[N@H+](CCCCNC(=O)N1CCN(C2CCCCC2)CC1)C1CC1 ZINC000459163567 477775206 /nfs/dbraw/zinc/77/52/06/477775206.db2.gz QQENRCZBLCXIOU-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[N@@H+](CCCCNC(=O)N1CCN(C2CCCCC2)CC1)C1CC1 ZINC000459163567 477775208 /nfs/dbraw/zinc/77/52/08/477775208.db2.gz QQENRCZBLCXIOU-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000450973562 477781273 /nfs/dbraw/zinc/78/12/73/477781273.db2.gz UGFDPEMBCIALLP-OALUTQOASA-N 1 3 337.552 2.730 20 0 EFADHO C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCN4CCC[C@@H]4C3)ccc21 ZINC000455925435 477785829 /nfs/dbraw/zinc/78/58/29/477785829.db2.gz NBBRVBPSGRZAJO-SJLPKXTDSA-N 1 3 328.460 2.547 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914887 477815006 /nfs/dbraw/zinc/81/50/06/477815006.db2.gz KTOARWUSOJIHLL-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914887 477815010 /nfs/dbraw/zinc/81/50/10/477815010.db2.gz KTOARWUSOJIHLL-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914887 477815016 /nfs/dbraw/zinc/81/50/16/477815016.db2.gz KTOARWUSOJIHLL-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914887 477815019 /nfs/dbraw/zinc/81/50/19/477815019.db2.gz KTOARWUSOJIHLL-WIYYLYMNSA-N 1 3 345.531 2.823 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438321062 477822507 /nfs/dbraw/zinc/82/25/07/477822507.db2.gz DLIRHWMMFQBLJX-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438321062 477822513 /nfs/dbraw/zinc/82/25/13/477822513.db2.gz DLIRHWMMFQBLJX-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438329092 477824937 /nfs/dbraw/zinc/82/49/37/477824937.db2.gz PJFKVJYSROWDSF-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438329092 477824943 /nfs/dbraw/zinc/82/49/43/477824943.db2.gz PJFKVJYSROWDSF-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000515483288 477830250 /nfs/dbraw/zinc/83/02/50/477830250.db2.gz HLNPTHKEJUUDIS-VAMGGRTRSA-N 1 3 339.487 2.727 20 0 EFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438347153 477831038 /nfs/dbraw/zinc/83/10/38/477831038.db2.gz MYNTWOFLDIJDDB-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438347153 477831047 /nfs/dbraw/zinc/83/10/47/477831047.db2.gz MYNTWOFLDIJDDB-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CN(c2ccccc2CN2CCC(C[NH+](C)C)CC2)CCO1 ZINC000459308828 477834233 /nfs/dbraw/zinc/83/42/33/477834233.db2.gz ULYZHTKYPJYWSU-QGZVFWFLSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962690 477862252 /nfs/dbraw/zinc/86/22/52/477862252.db2.gz KUCUDLRKUOPQNJ-NQIIRXRSSA-N 1 3 343.515 2.577 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420962690 477862260 /nfs/dbraw/zinc/86/22/60/477862260.db2.gz KUCUDLRKUOPQNJ-NQIIRXRSSA-N 1 3 343.515 2.577 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000460540041 477862812 /nfs/dbraw/zinc/86/28/12/477862812.db2.gz QXIFHIFERKOTLC-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO COCCOc1cccc(C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000459379788 477873448 /nfs/dbraw/zinc/87/34/48/477873448.db2.gz AREHSCXMYZFPNQ-UHFFFAOYSA-N 1 3 341.455 2.865 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000461227293 477876065 /nfs/dbraw/zinc/87/60/65/477876065.db2.gz QGIWOOSIGYCTKK-BQFCYCMXSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000461227293 477876074 /nfs/dbraw/zinc/87/60/74/477876074.db2.gz QGIWOOSIGYCTKK-BQFCYCMXSA-N 1 3 334.508 2.706 20 0 EFADHO CCc1nc(C)c(CN2CCC[N@@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420982969 477878219 /nfs/dbraw/zinc/87/82/19/477878219.db2.gz QDFPUWVGWCSDFR-UHFFFAOYSA-N 1 3 334.508 2.537 20 0 EFADHO CCc1nc(C)c(CN2CCC[N@H+](C3CCN(CC)CC3)CC2)o1 ZINC000420982969 477878225 /nfs/dbraw/zinc/87/82/25/477878225.db2.gz QDFPUWVGWCSDFR-UHFFFAOYSA-N 1 3 334.508 2.537 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@H]2SC)[C@H](C)C1 ZINC000459406877 477891899 /nfs/dbraw/zinc/89/18/99/477891899.db2.gz DCPOPYIJJIHYDT-MDMSPXHWSA-N 1 3 344.565 2.622 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@@H]2SC)[C@H](C)C1 ZINC000459406877 477891905 /nfs/dbraw/zinc/89/19/05/477891905.db2.gz DCPOPYIJJIHYDT-MDMSPXHWSA-N 1 3 344.565 2.622 20 0 EFADHO CC[C@]1(O)CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000428446110 477898012 /nfs/dbraw/zinc/89/80/12/477898012.db2.gz JFBHHCZIFUWHCN-FQEVSTJZSA-N 1 3 331.504 2.564 20 0 EFADHO CC[C@]1(O)CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000428446110 477898017 /nfs/dbraw/zinc/89/80/17/477898017.db2.gz JFBHHCZIFUWHCN-FQEVSTJZSA-N 1 3 331.504 2.564 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000494006066 477900685 /nfs/dbraw/zinc/90/06/85/477900685.db2.gz FYSXRNPHKLTMHG-XLIONFOSSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000494006065 477901807 /nfs/dbraw/zinc/90/18/07/477901807.db2.gz FYSXRNPHKLTMHG-PXNSSMCTSA-N 1 3 343.515 2.886 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000558639479 477903481 /nfs/dbraw/zinc/90/34/81/477903481.db2.gz GDNCUPYVUHBCLJ-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000558639479 477903485 /nfs/dbraw/zinc/90/34/85/477903485.db2.gz GDNCUPYVUHBCLJ-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@H]1CCC[N@@H+]1C ZINC000494148983 477933948 /nfs/dbraw/zinc/93/39/48/477933948.db2.gz UPZMJBCPPZSCOF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@H]1CCC[N@H+]1C ZINC000494148983 477933952 /nfs/dbraw/zinc/93/39/52/477933952.db2.gz UPZMJBCPPZSCOF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H](CC2CC2)c2ccccc2)C1 ZINC000532485056 477934842 /nfs/dbraw/zinc/93/48/42/477934842.db2.gz KZHVCJKVUDTHHZ-RTBURBONSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H](CC2CC2)c2ccccc2)C1 ZINC000532485056 477934845 /nfs/dbraw/zinc/93/48/45/477934845.db2.gz KZHVCJKVUDTHHZ-RTBURBONSA-N 1 3 329.488 2.705 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000532492535 477934941 /nfs/dbraw/zinc/93/49/41/477934941.db2.gz IBIYSUAEAODLKP-STQMWFEESA-N 1 3 341.883 2.996 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532485084 477935006 /nfs/dbraw/zinc/93/50/06/477935006.db2.gz QYPWKEPWTUDZQG-DYVFJYSZSA-N 1 3 335.879 2.504 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nn(CC)c2C)[C@H](C)C1 ZINC000532497091 477936705 /nfs/dbraw/zinc/93/67/05/477936705.db2.gz RQPMFRUJXIKDJA-BEFAXECRSA-N 1 3 336.524 2.746 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000465457183 477976620 /nfs/dbraw/zinc/97/66/20/477976620.db2.gz VUHXYIOHFCLOEG-ZWKOTPCHSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000465457183 477976625 /nfs/dbraw/zinc/97/66/25/477976625.db2.gz VUHXYIOHFCLOEG-ZWKOTPCHSA-N 1 3 340.556 2.869 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000421143706 477978581 /nfs/dbraw/zinc/97/85/81/477978581.db2.gz CLVJOITVSDMMLD-FUHWJXTLSA-N 1 3 330.476 2.793 20 0 EFADHO COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000428781656 477982992 /nfs/dbraw/zinc/98/29/92/477982992.db2.gz PCQCPFIIVNTYKC-FQEVSTJZSA-N 1 3 330.472 2.679 20 0 EFADHO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000428781656 477982999 /nfs/dbraw/zinc/98/29/99/477982999.db2.gz PCQCPFIIVNTYKC-FQEVSTJZSA-N 1 3 330.472 2.679 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000516824256 477992328 /nfs/dbraw/zinc/99/23/28/477992328.db2.gz BATXWORSCUNVGE-SCTDSRPQSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000516824256 477992335 /nfs/dbraw/zinc/99/23/35/477992335.db2.gz BATXWORSCUNVGE-SCTDSRPQSA-N 1 3 346.519 2.677 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000494496891 477999161 /nfs/dbraw/zinc/99/91/61/477999161.db2.gz QOCOJQZRUFFVKE-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000494496891 477999172 /nfs/dbraw/zinc/99/91/72/477999172.db2.gz QOCOJQZRUFFVKE-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(C3CC3)c2)CC1 ZINC000421328107 478038826 /nfs/dbraw/zinc/03/88/26/478038826.db2.gz RUQPHIVRMAUTJH-UHFFFAOYSA-N 1 3 329.488 2.596 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[C@H]1c1cccs1 ZINC000494684359 478043469 /nfs/dbraw/zinc/04/34/69/478043469.db2.gz IPVBSWNRGVXYQN-RKVPGOIHSA-N 1 3 335.517 2.779 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000429123750 478061082 /nfs/dbraw/zinc/06/10/82/478061082.db2.gz WCHLAKRNCOYYIR-FUHWJXTLSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](C[C@H]1CCC[NH2+]1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000517223297 478065909 /nfs/dbraw/zinc/06/59/09/478065909.db2.gz FGLPHKFGISMZPZ-NVXWUHKLSA-N 1 3 346.471 2.584 20 0 EFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000421395568 478071976 /nfs/dbraw/zinc/07/19/76/478071976.db2.gz YVIPBDCUFSXXQC-RBUKOAKNSA-N 1 3 331.504 2.876 20 0 EFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000421395566 478072442 /nfs/dbraw/zinc/07/24/42/478072442.db2.gz YVIPBDCUFSXXQC-OALUTQOASA-N 1 3 331.504 2.876 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000440167126 478083057 /nfs/dbraw/zinc/08/30/57/478083057.db2.gz IALLUQKQWCFKIF-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000440167126 478083061 /nfs/dbraw/zinc/08/30/61/478083061.db2.gz IALLUQKQWCFKIF-RTBURBONSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000440179476 478087288 /nfs/dbraw/zinc/08/72/88/478087288.db2.gz OSWCPVZMEFRELM-FGTMMUONSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000440179476 478087293 /nfs/dbraw/zinc/08/72/93/478087293.db2.gz OSWCPVZMEFRELM-FGTMMUONSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000560515372 478100938 /nfs/dbraw/zinc/10/09/38/478100938.db2.gz OAXNLDYPCFOMAE-NXWXRZEISA-N 1 3 329.488 2.531 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000560513822 478101896 /nfs/dbraw/zinc/10/18/96/478101896.db2.gz GRMLWLMKWXSYFD-GOSISDBHSA-N 1 3 333.524 2.648 20 0 EFADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc4c(c3)CNCC4)ccc21 ZINC000429341848 478115912 /nfs/dbraw/zinc/11/59/12/478115912.db2.gz SDGJQXPZBVSTKV-UHFFFAOYSA-N 1 3 348.450 2.888 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517740282 478119105 /nfs/dbraw/zinc/11/91/05/478119105.db2.gz BQGXREIRRWDPKB-FGTMMUONSA-N 1 3 340.556 2.582 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517740282 478119108 /nfs/dbraw/zinc/11/91/08/478119108.db2.gz BQGXREIRRWDPKB-FGTMMUONSA-N 1 3 340.556 2.582 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433135 478149502 /nfs/dbraw/zinc/14/95/02/478149502.db2.gz NAFKOLZEWUTAQS-IAGOWNOFSA-N 1 3 327.582 2.914 20 0 EFADHO O=C(N[C@@H]1CCCN(CC[C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000518502125 478173147 /nfs/dbraw/zinc/17/31/47/478173147.db2.gz OQIZTBZPTLAEHL-NVXWUHKLSA-N 1 3 341.455 2.627 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000518559607 478177870 /nfs/dbraw/zinc/17/78/70/478177870.db2.gz CJGLGILKGAEWTE-UHFFFAOYSA-N 1 3 339.483 2.999 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441058407 478191045 /nfs/dbraw/zinc/19/10/45/478191045.db2.gz SJQJEFIJHFGYND-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441058407 478191050 /nfs/dbraw/zinc/19/10/50/478191050.db2.gz SJQJEFIJHFGYND-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488908774 478199372 /nfs/dbraw/zinc/19/93/72/478199372.db2.gz KWMPTZGUFSLIHS-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488908774 478199374 /nfs/dbraw/zinc/19/93/74/478199374.db2.gz KWMPTZGUFSLIHS-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1ccco1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561954942 478210119 /nfs/dbraw/zinc/21/01/19/478210119.db2.gz KIXXNWGDLNXFBU-SXLOBPIMSA-N 1 3 342.483 2.931 20 0 EFADHO C[C@H](NC[C@H](CO)Cc1ccco1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561954942 478210122 /nfs/dbraw/zinc/21/01/22/478210122.db2.gz KIXXNWGDLNXFBU-SXLOBPIMSA-N 1 3 342.483 2.931 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000562138628 478216412 /nfs/dbraw/zinc/21/64/12/478216412.db2.gz DNHBLYCDSYYRTB-YQVWRLOYSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000562138628 478216417 /nfs/dbraw/zinc/21/64/17/478216417.db2.gz DNHBLYCDSYYRTB-YQVWRLOYSA-N 1 3 346.519 2.707 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000562190478 478218448 /nfs/dbraw/zinc/21/84/48/478218448.db2.gz POXNYABNMWTVMM-RTBURBONSA-N 1 3 331.504 2.700 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000562190478 478218451 /nfs/dbraw/zinc/21/84/51/478218451.db2.gz POXNYABNMWTVMM-RTBURBONSA-N 1 3 331.504 2.700 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)C2CCOCC2)CC1 ZINC000535804309 478233168 /nfs/dbraw/zinc/23/31/68/478233168.db2.gz LCBAREFBGOUQJG-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)C2CCOCC2)CC1 ZINC000535804309 478233171 /nfs/dbraw/zinc/23/31/71/478233171.db2.gz LCBAREFBGOUQJG-UHFFFAOYSA-N 1 3 331.504 2.829 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000579341927 478273899 /nfs/dbraw/zinc/27/38/99/478273899.db2.gz GGKVBIPRBTVNLW-JSGCOSHPSA-N 1 3 339.867 2.655 20 0 EFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCc2ccccc21 ZINC000520172103 478279167 /nfs/dbraw/zinc/27/91/67/478279167.db2.gz SYDKKELBBQXQFY-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(NC3CC([NH+]4CCCCC4)C3)C2)C1 ZINC000495733866 478290103 /nfs/dbraw/zinc/29/01/03/478290103.db2.gz IYGWXENYHCAKPE-UHFFFAOYSA-N 1 3 349.519 2.992 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000495745229 478296718 /nfs/dbraw/zinc/29/67/18/478296718.db2.gz JSYLSRXQTBKEGE-CABCVRRESA-N 1 3 325.497 2.563 20 0 EFADHO O=C([C@H]1CCCCC[NH2+]1)N1CCCN(CCCc2ccccc2)CC1 ZINC000579475038 478307050 /nfs/dbraw/zinc/30/70/50/478307050.db2.gz COZRJZNMSFLIIT-HXUWFJFHSA-N 1 3 343.515 2.686 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000562670562 478307855 /nfs/dbraw/zinc/30/78/55/478307855.db2.gz GKSRLQSSQUBCCN-INIZCTEOSA-N 1 3 346.519 2.760 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000520419692 478310095 /nfs/dbraw/zinc/31/00/95/478310095.db2.gz LKYOSCNBJZETLV-FUHIMQAGSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000520419692 478310102 /nfs/dbraw/zinc/31/01/02/478310102.db2.gz LKYOSCNBJZETLV-FUHIMQAGSA-N 1 3 329.488 2.640 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3cccs3)CC2)CC1 ZINC000520425481 478311561 /nfs/dbraw/zinc/31/15/61/478311561.db2.gz XOINXSDLDPCVTH-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)CC1 ZINC000490087017 478311523 /nfs/dbraw/zinc/31/15/23/478311523.db2.gz DIGYBSOSVNMLEH-HKUYNNGSSA-N 1 3 343.515 2.773 20 0 EFADHO C[N@H+](CCC(=O)N1CCCN(CC2CCC2)CC1)C1CCCCC1 ZINC000570292767 478330778 /nfs/dbraw/zinc/33/07/78/478330778.db2.gz KMZOXFKGSIMRIK-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO C[N@@H+](CCC(=O)N1CCCN(CC2CCC2)CC1)C1CCCCC1 ZINC000570292767 478330790 /nfs/dbraw/zinc/33/07/90/478330790.db2.gz KMZOXFKGSIMRIK-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000590787223 478339253 /nfs/dbraw/zinc/33/92/53/478339253.db2.gz WAXBDLYSJJEPBL-SFHVURJKSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000590787223 478339259 /nfs/dbraw/zinc/33/92/59/478339259.db2.gz WAXBDLYSJJEPBL-SFHVURJKSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cn1 ZINC000562750677 478340781 /nfs/dbraw/zinc/34/07/81/478340781.db2.gz QPOHVTGWBNUHGR-UYAOXDASSA-N 1 3 346.519 2.645 20 0 EFADHO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389195 478349530 /nfs/dbraw/zinc/34/95/30/478349530.db2.gz VYWPUBWNZLIPNK-OALUTQOASA-N 1 3 340.471 2.775 20 0 EFADHO [NH3+][C@H]1CCC[C@@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389195 478349531 /nfs/dbraw/zinc/34/95/31/478349531.db2.gz VYWPUBWNZLIPNK-OALUTQOASA-N 1 3 340.471 2.775 20 0 EFADHO CC1CCN([C@H](CNC(=O)N(C)CCC[NH3+])c2cccs2)CC1 ZINC000562794504 478352346 /nfs/dbraw/zinc/35/23/46/478352346.db2.gz HDTKZWPDDXMRQU-OAHLLOKOSA-N 1 3 338.521 2.511 20 0 EFADHO Cc1ccc(CCC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000590817414 478354858 /nfs/dbraw/zinc/35/48/58/478354858.db2.gz GDAQZHGFBURYMS-UHFFFAOYSA-N 1 3 339.911 2.533 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000562811880 478357394 /nfs/dbraw/zinc/35/73/94/478357394.db2.gz VRBYGHAGZZTURN-LNLFQRSKSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000562811880 478357403 /nfs/dbraw/zinc/35/74/03/478357403.db2.gz VRBYGHAGZZTURN-LNLFQRSKSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000521001276 478359975 /nfs/dbraw/zinc/35/99/75/478359975.db2.gz JVFBZNBIKWBMCN-INIZCTEOSA-N 1 3 344.503 2.822 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000521001276 478359976 /nfs/dbraw/zinc/35/99/76/478359976.db2.gz JVFBZNBIKWBMCN-INIZCTEOSA-N 1 3 344.503 2.822 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)c2cccs2)CC1 ZINC000521071494 478369024 /nfs/dbraw/zinc/36/90/24/478369024.db2.gz PRYOIHVBNCMTTK-HOTGVXAUSA-N 1 3 335.517 2.589 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)c2cccs2)CC1 ZINC000521071494 478369034 /nfs/dbraw/zinc/36/90/34/478369034.db2.gz PRYOIHVBNCMTTK-HOTGVXAUSA-N 1 3 335.517 2.589 20 0 EFADHO COc1ccc([C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c(F)c1 ZINC000562951368 478391033 /nfs/dbraw/zinc/39/10/33/478391033.db2.gz XRFQLRBNYMFYLB-FQEVSTJZSA-N 1 3 349.494 2.903 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000562958594 478393046 /nfs/dbraw/zinc/39/30/46/478393046.db2.gz AOMVCPSRVYKMSJ-HVMFNXBNSA-N 1 3 335.536 2.970 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989063 478404943 /nfs/dbraw/zinc/40/49/43/478404943.db2.gz DSRQGXJMALCPAP-KSZLIROESA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989063 478404952 /nfs/dbraw/zinc/40/49/52/478404952.db2.gz DSRQGXJMALCPAP-KSZLIROESA-N 1 3 340.895 2.680 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCNC1CC[NH+](CC2CC2)CC1 ZINC000562987661 478405210 /nfs/dbraw/zinc/40/52/10/478405210.db2.gz IPNRCEMKTAJDIE-UHFFFAOYSA-N 1 3 333.451 2.927 20 0 EFADHO Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000562987661 478405217 /nfs/dbraw/zinc/40/52/17/478405217.db2.gz IPNRCEMKTAJDIE-UHFFFAOYSA-N 1 3 333.451 2.927 20 0 EFADHO CCN(C(=O)CN1CCC(CC[NH3+])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000570637938 478405696 /nfs/dbraw/zinc/40/56/96/478405696.db2.gz DIMJMYIKOOHMBM-HNNXBMFYSA-N 1 3 335.467 2.796 20 0 EFADHO O[C@H](C[NH2+]C1CCN(C2CCCCC2)CC1)COCc1ccccc1 ZINC000562990917 478406601 /nfs/dbraw/zinc/40/66/01/478406601.db2.gz JURBJGJLAFAKDD-OAQYLSRUSA-N 1 3 346.515 2.951 20 0 EFADHO C/C=C\c1ccc(OC[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000562994771 478407629 /nfs/dbraw/zinc/40/76/29/478407629.db2.gz DOHXSAFGSAMPFH-HEGWHQAKSA-N 1 3 348.487 2.540 20 0 EFADHO C/C=C\c1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000562994771 478407635 /nfs/dbraw/zinc/40/76/35/478407635.db2.gz DOHXSAFGSAMPFH-HEGWHQAKSA-N 1 3 348.487 2.540 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000581654964 478411671 /nfs/dbraw/zinc/41/16/71/478411671.db2.gz FRNYHCBIWQDVFZ-MOPGFXCFSA-N 1 3 340.471 2.795 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCCC(F)(F)F)CC2)CC1 ZINC000570736958 478432322 /nfs/dbraw/zinc/43/23/22/478432322.db2.gz KLPXTSYPOADYFS-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1cc(C)c(C(=O)NC2CC[NH+](CC[C@H]3CCCN3C)CC2)o1 ZINC000527578647 478436013 /nfs/dbraw/zinc/43/60/13/478436013.db2.gz YLPTUKVMXNCHGZ-QGZVFWFLSA-N 1 3 333.476 2.575 20 0 EFADHO CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000539825120 478442930 /nfs/dbraw/zinc/44/29/30/478442930.db2.gz MAOVRWBMMSQZPS-WIYYLYMNSA-N 1 3 345.531 2.933 20 0 EFADHO CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000539825120 478442934 /nfs/dbraw/zinc/44/29/34/478442934.db2.gz MAOVRWBMMSQZPS-WIYYLYMNSA-N 1 3 345.531 2.933 20 0 EFADHO CCOc1ccc(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000570782431 478444223 /nfs/dbraw/zinc/44/42/23/478444223.db2.gz PDZHHBMHQVLKND-PKOBYXMFSA-N 1 3 348.487 2.812 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cncc(Br)c1 ZINC000570816965 478454711 /nfs/dbraw/zinc/45/47/11/478454711.db2.gz XYKTVGAMUBSJOU-ZDUSSCGKSA-N 1 3 344.297 2.853 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000527641532 478459218 /nfs/dbraw/zinc/45/92/18/478459218.db2.gz VLJQKGZKOXTIPN-GFCCVEGCSA-N 1 3 335.439 2.883 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@H]3CC[NH2+]C3)CC1)O[C@H](C)C2 ZINC000581884569 478459752 /nfs/dbraw/zinc/45/97/52/478459752.db2.gz OOLLUVBHXFXCRX-ZBFHGGJFSA-N 1 3 330.472 2.840 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccsc2C(F)(F)F)CC1 ZINC000527655148 478463561 /nfs/dbraw/zinc/46/35/61/478463561.db2.gz YEOAMSHQNHVHME-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccsc2C(F)(F)F)CC1 ZINC000527655148 478463571 /nfs/dbraw/zinc/46/35/71/478463571.db2.gz YEOAMSHQNHVHME-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2ccsc2C(F)(F)F)CC1 ZINC000527669558 478468570 /nfs/dbraw/zinc/46/85/70/478468570.db2.gz ISELMOOTDWTFCB-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCN(CC3CC3)C2)cc1 ZINC000594646473 478476709 /nfs/dbraw/zinc/47/67/09/478476709.db2.gz OSJFYLAGPXIJIR-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2F)c1 ZINC000570920379 478479639 /nfs/dbraw/zinc/47/96/39/478479639.db2.gz JFEVENBPEAABAW-GOSISDBHSA-N 1 3 346.446 2.807 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2F)c1 ZINC000570920379 478479644 /nfs/dbraw/zinc/47/96/44/478479644.db2.gz JFEVENBPEAABAW-GOSISDBHSA-N 1 3 346.446 2.807 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1)C1CC1 ZINC000563207003 478482645 /nfs/dbraw/zinc/48/26/45/478482645.db2.gz RTPUZEPDYBSULA-NRFANRHFSA-N 1 3 341.499 2.887 20 0 EFADHO C[NH+](C)C[C@H]1CCN(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496037471 478496015 /nfs/dbraw/zinc/49/60/15/478496015.db2.gz XCALWFIRLLPDIU-JKSUJKDBSA-N 1 3 325.497 2.517 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+]1CCC(C)CC1 ZINC000582110403 478513083 /nfs/dbraw/zinc/51/30/83/478513083.db2.gz HOIDEDTVVCWJJJ-HNNXBMFYSA-N 1 3 330.476 2.574 20 0 EFADHO CCC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)C(=O)N1CCc2sccc2C1 ZINC000571061037 478514030 /nfs/dbraw/zinc/51/40/30/478514030.db2.gz MXKBYSMOUIUGHZ-XHSDSOJGSA-N 1 3 335.517 2.661 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000571158303 478533358 /nfs/dbraw/zinc/53/33/58/478533358.db2.gz CNXFOZKQYUZNIQ-MNEFBYGVSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2ccc3ccccc3c2)CC[N@H+]1C ZINC000571158303 478533367 /nfs/dbraw/zinc/53/33/67/478533367.db2.gz CNXFOZKQYUZNIQ-MNEFBYGVSA-N 1 3 328.456 2.652 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496099874 478536593 /nfs/dbraw/zinc/53/65/93/478536593.db2.gz AYUOTRWTCJRWTB-HOTGVXAUSA-N 1 3 339.524 2.952 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496099873 478537346 /nfs/dbraw/zinc/53/73/46/478537346.db2.gz AYUOTRWTCJRWTB-CVEARBPZSA-N 1 3 339.524 2.952 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CCC2CCN(c3ccncc3)CC2)C1 ZINC000571213875 478545154 /nfs/dbraw/zinc/54/51/54/478545154.db2.gz POZRAWGGOHUAKV-APWZRJJASA-N 1 3 344.503 2.535 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000571267147 478554772 /nfs/dbraw/zinc/55/47/72/478554772.db2.gz ZXIYWIXOPPUKEK-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000563423779 478556191 /nfs/dbraw/zinc/55/61/91/478556191.db2.gz JBIBJTJHHUJULP-VKJFTORMSA-N 1 3 337.895 2.573 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1CC12CC2 ZINC000527909083 478568440 /nfs/dbraw/zinc/56/84/40/478568440.db2.gz OQFICTLQTQAJGW-DNVCBOLYSA-N 1 3 341.499 2.662 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498931 478571279 /nfs/dbraw/zinc/57/12/79/478571279.db2.gz DVBYMSHFXNGBSM-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498931 478571284 /nfs/dbraw/zinc/57/12/84/478571284.db2.gz DVBYMSHFXNGBSM-LSDHHAIUSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498930 478571519 /nfs/dbraw/zinc/57/15/19/478571519.db2.gz DVBYMSHFXNGBSM-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc2c1CCNC2 ZINC000563498930 478571529 /nfs/dbraw/zinc/57/15/29/478571529.db2.gz DVBYMSHFXNGBSM-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO CCC[C@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccn1 ZINC000591566698 478583602 /nfs/dbraw/zinc/58/36/02/478583602.db2.gz KTXNRSGSXJXYNI-RDJZCZTQSA-N 1 3 333.476 2.834 20 0 EFADHO C[C@@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000591581311 478585786 /nfs/dbraw/zinc/58/57/86/478585786.db2.gz NRWPEIMGMRNSOJ-MNOVXSKESA-N 1 3 332.229 2.549 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](C)CN(C)C ZINC000491588012 478595855 /nfs/dbraw/zinc/59/58/55/478595855.db2.gz DLQISSCDSHPVRR-GFCCVEGCSA-N 1 3 334.416 2.515 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000571433356 478596015 /nfs/dbraw/zinc/59/60/15/478596015.db2.gz ZIVLIKGZOROJIE-UHOFOFEASA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000571433356 478596019 /nfs/dbraw/zinc/59/60/19/478596019.db2.gz ZIVLIKGZOROJIE-UHOFOFEASA-N 1 3 330.394 2.681 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000563598102 478596470 /nfs/dbraw/zinc/59/64/70/478596470.db2.gz NQFCERRQUPLQFA-ICSRJNTNSA-N 1 3 344.503 2.547 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000563598102 478596475 /nfs/dbraw/zinc/59/64/75/478596475.db2.gz NQFCERRQUPLQFA-ICSRJNTNSA-N 1 3 344.503 2.547 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000527994465 478603682 /nfs/dbraw/zinc/60/36/82/478603682.db2.gz SESFBJZDKUKFCP-IBGZPJMESA-N 1 3 348.535 2.710 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CCCN1CCCC1)CC2 ZINC000496201922 478606609 /nfs/dbraw/zinc/60/66/09/478606609.db2.gz YOBRBPHFKCLJCM-UHFFFAOYSA-N 1 3 337.508 2.805 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)CC(C)C ZINC000594967922 478610451 /nfs/dbraw/zinc/61/04/51/478610451.db2.gz RAZMUXHWVATLHW-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000571504959 478610999 /nfs/dbraw/zinc/61/09/99/478610999.db2.gz CDBVFQADQCMTGN-INIZCTEOSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000571504959 478611007 /nfs/dbraw/zinc/61/10/07/478611007.db2.gz CDBVFQADQCMTGN-INIZCTEOSA-N 1 3 344.503 2.966 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727441 478613725 /nfs/dbraw/zinc/61/37/25/478613725.db2.gz VQLNFABIEJPIKD-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727441 478613732 /nfs/dbraw/zinc/61/37/32/478613732.db2.gz VQLNFABIEJPIKD-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727442 478614726 /nfs/dbraw/zinc/61/47/26/478614726.db2.gz VQLNFABIEJPIKD-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)C1 ZINC000591727442 478614733 /nfs/dbraw/zinc/61/47/33/478614733.db2.gz VQLNFABIEJPIKD-OALUTQOASA-N 1 3 343.515 2.527 20 0 EFADHO C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000528024018 478616970 /nfs/dbraw/zinc/61/69/70/478616970.db2.gz SNYBIRRRJIXENU-HTWSVDAQSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717438 478667916 /nfs/dbraw/zinc/66/79/16/478667916.db2.gz SKFVDOAGCZSYIF-SCTDSRPQSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717438 478667919 /nfs/dbraw/zinc/66/79/19/478667919.db2.gz SKFVDOAGCZSYIF-SCTDSRPQSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000601121574 478668697 /nfs/dbraw/zinc/66/86/97/478668697.db2.gz YQAOVJAZUQYMBM-KRWDZBQOSA-N 1 3 348.491 2.621 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000564064964 478688304 /nfs/dbraw/zinc/68/83/04/478688304.db2.gz CJGRFSQZOAETGB-VDZJLULYSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](NC(=O)NC[C@@H](N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000564064964 478688316 /nfs/dbraw/zinc/68/83/16/478688316.db2.gz CJGRFSQZOAETGB-VDZJLULYSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868852 478694209 /nfs/dbraw/zinc/69/42/09/478694209.db2.gz XVDJIOHFTIVWIN-GGPKGHCWSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868852 478694216 /nfs/dbraw/zinc/69/42/16/478694216.db2.gz XVDJIOHFTIVWIN-GGPKGHCWSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868854 478694669 /nfs/dbraw/zinc/69/46/69/478694669.db2.gz XVDJIOHFTIVWIN-QWFCFKBJSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868854 478694679 /nfs/dbraw/zinc/69/46/79/478694679.db2.gz XVDJIOHFTIVWIN-QWFCFKBJSA-N 1 3 343.515 2.745 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000571875646 478696094 /nfs/dbraw/zinc/69/60/94/478696094.db2.gz UIMFPXXCHOVQEA-UYAOXDASSA-N 1 3 332.488 2.515 20 0 EFADHO CC[C@@](C[NH2+]C1CCN(CC2CC2)CC1)(C(=O)OC)c1ccccc1 ZINC000582832695 478697614 /nfs/dbraw/zinc/69/76/14/478697614.db2.gz HXAIAKOZRFHVRV-NRFANRHFSA-N 1 3 344.499 2.971 20 0 EFADHO CC[C@](C[NH2+]C1CCN(CC2CC2)CC1)(C(=O)OC)c1ccccc1 ZINC000582832696 478698076 /nfs/dbraw/zinc/69/80/76/478698076.db2.gz HXAIAKOZRFHVRV-OAQYLSRUSA-N 1 3 344.499 2.971 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000571892921 478702543 /nfs/dbraw/zinc/70/25/43/478702543.db2.gz QZWYDGXVNYSCQE-UHFFFAOYSA-N 1 3 344.503 2.916 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000571892921 478702554 /nfs/dbraw/zinc/70/25/54/478702554.db2.gz QZWYDGXVNYSCQE-UHFFFAOYSA-N 1 3 344.503 2.916 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000582899753 478713471 /nfs/dbraw/zinc/71/34/71/478713471.db2.gz FQFYPTIDXAMYQA-XLIONFOSSA-N 1 3 334.504 2.938 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000582899753 478713481 /nfs/dbraw/zinc/71/34/81/478713481.db2.gz FQFYPTIDXAMYQA-XLIONFOSSA-N 1 3 334.504 2.938 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1F ZINC000564375405 478732322 /nfs/dbraw/zinc/73/23/22/478732322.db2.gz AFBXWGGQTIMDJU-INIZCTEOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(F)c1F ZINC000564375405 478732329 /nfs/dbraw/zinc/73/23/29/478732329.db2.gz AFBXWGGQTIMDJU-INIZCTEOSA-N 1 3 325.447 2.813 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2c1cccc2Cl)N1CC[NH2+]CC1 ZINC000583019041 478743571 /nfs/dbraw/zinc/74/35/71/478743571.db2.gz YYVGYCJBBOJJQP-HUUCEWRRSA-N 1 3 347.812 2.753 20 0 EFADHO CC1=C(C)C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000583026916 478747957 /nfs/dbraw/zinc/74/79/57/478747957.db2.gz RCIVMQGLAQBPKH-QGZVFWFLSA-N 1 3 333.520 2.798 20 0 EFADHO CCOC(=O)C1(C)CC([NH2+]CC2CCN(c3ccncc3)CC2)C1 ZINC000601268631 478755008 /nfs/dbraw/zinc/75/50/08/478755008.db2.gz SGNFENYSQZIXOE-UHFFFAOYSA-N 1 3 331.460 2.619 20 0 EFADHO [NH3+]CCCn1ccc2cc(C(=O)Nc3cccc4c3CCNC4)ccc21 ZINC000564644240 478777650 /nfs/dbraw/zinc/77/76/50/478777650.db2.gz CBURWGMHEYAZOZ-UHFFFAOYSA-N 1 3 348.450 2.888 20 0 EFADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000583193018 478788017 /nfs/dbraw/zinc/78/80/17/478788017.db2.gz KWDSFGNIHFYIQF-QXAKKESOSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000564733493 478799816 /nfs/dbraw/zinc/79/98/16/478799816.db2.gz UYWJACOEHHOYTG-SFHVURJKSA-N 1 3 332.492 2.580 20 0 EFADHO [NH3+]CCC1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000572299452 478800376 /nfs/dbraw/zinc/80/03/76/478800376.db2.gz BGEWOMCWZHXAJL-SFHVURJKSA-N 1 3 347.478 2.625 20 0 EFADHO CN1CC[NH+](CCCCN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000544359425 478828144 /nfs/dbraw/zinc/82/81/44/478828144.db2.gz AJSRVGNIXJVCRX-FQEVSTJZSA-N 1 3 327.472 2.986 20 0 EFADHO C[C@@H](CNC[C@@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000564843550 478829630 /nfs/dbraw/zinc/82/96/30/478829630.db2.gz AJNOJFYLUVDSNN-HOCLYGCPSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000564843550 478829636 /nfs/dbraw/zinc/82/96/36/478829636.db2.gz AJNOJFYLUVDSNN-HOCLYGCPSA-N 1 3 344.421 2.930 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000564848807 478830400 /nfs/dbraw/zinc/83/04/00/478830400.db2.gz ZODNXLLHBZKSCO-MOPGFXCFSA-N 1 3 334.504 2.753 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000564847995 478831373 /nfs/dbraw/zinc/83/13/73/478831373.db2.gz SEEQQYYUXJKFFO-YLJYHZDGSA-N 1 3 342.483 2.901 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)C(C)C)CC2)CC1 ZINC000572421943 478831575 /nfs/dbraw/zinc/83/15/75/478831575.db2.gz OCGQDALJPSKYLP-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N1CCN(C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000502964552 478834251 /nfs/dbraw/zinc/83/42/51/478834251.db2.gz HOHJADRDEPQQOI-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000564909996 478856608 /nfs/dbraw/zinc/85/66/08/478856608.db2.gz RUQIQUXEAQIQKX-APWZRJJASA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CNCc2ccccc21 ZINC000564909996 478856612 /nfs/dbraw/zinc/85/66/12/478856612.db2.gz RUQIQUXEAQIQKX-APWZRJJASA-N 1 3 329.488 2.644 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000572541670 478862940 /nfs/dbraw/zinc/86/29/40/478862940.db2.gz FYVKYPVUZWSETI-GRYCIOLGSA-N 1 3 333.259 2.593 20 0 EFADHO C[NH+](C)CC1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCCC1 ZINC000544817356 478867783 /nfs/dbraw/zinc/86/77/83/478867783.db2.gz RNVXDTJTZOEDIZ-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CC[C@H]([N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]1C ZINC000492189990 478868718 /nfs/dbraw/zinc/86/87/18/478868718.db2.gz SQKQDXFMTNMFEW-RYQLBKOJSA-N 1 3 331.460 2.816 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@@H]1C ZINC000492189990 478868723 /nfs/dbraw/zinc/86/87/23/478868723.db2.gz SQKQDXFMTNMFEW-RYQLBKOJSA-N 1 3 331.460 2.816 20 0 EFADHO Cc1nc(COc2ccc(CNCc3ccc(C[NH3+])cc3)cc2)no1 ZINC000564973383 478872984 /nfs/dbraw/zinc/87/29/84/478872984.db2.gz DMKIDYKIKMSFCC-UHFFFAOYSA-N 1 3 338.411 2.706 20 0 EFADHO N[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c2ccccc21 ZINC000572593331 478875000 /nfs/dbraw/zinc/87/50/00/478875000.db2.gz IJHDZLDGKVEMAR-YYQUZTFQSA-N 1 3 340.427 2.902 20 0 EFADHO N[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c2ccccc21 ZINC000572593330 478876106 /nfs/dbraw/zinc/87/61/06/478876106.db2.gz IJHDZLDGKVEMAR-VZEFYGNVSA-N 1 3 340.427 2.902 20 0 EFADHO CN(C)[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000572659321 478888488 /nfs/dbraw/zinc/88/84/88/478888488.db2.gz CMGYFESYSBNGGV-FQEVSTJZSA-N 1 3 339.483 2.823 20 0 EFADHO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCCCN3)cc2)C1 ZINC000565040013 478894601 /nfs/dbraw/zinc/89/46/01/478894601.db2.gz HXKWZYCWRJKXKA-APWZRJJASA-N 1 3 345.487 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCCCN3)cc2)C1 ZINC000565040013 478894608 /nfs/dbraw/zinc/89/46/08/478894608.db2.gz HXKWZYCWRJKXKA-APWZRJJASA-N 1 3 345.487 2.878 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714708 478894703 /nfs/dbraw/zinc/89/47/03/478894703.db2.gz QBZXWLMVYOMDMT-KRWDZBQOSA-N 1 3 346.475 2.507 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccc2c(c1)OCCNC2 ZINC000528714708 478894706 /nfs/dbraw/zinc/89/47/06/478894706.db2.gz QBZXWLMVYOMDMT-KRWDZBQOSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCCCN3)cc2)C1 ZINC000565040015 478894882 /nfs/dbraw/zinc/89/48/82/478894882.db2.gz HXKWZYCWRJKXKA-QFBILLFUSA-N 1 3 345.487 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCCCN3)cc2)C1 ZINC000565040015 478894888 /nfs/dbraw/zinc/89/48/88/478894888.db2.gz HXKWZYCWRJKXKA-QFBILLFUSA-N 1 3 345.487 2.878 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@@H]1C ZINC000528717316 478895370 /nfs/dbraw/zinc/89/53/70/478895370.db2.gz ZHBFQEIOXMHUEO-WMLDXEAASA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)OCCNC3)C[C@@H]1C ZINC000528717316 478895375 /nfs/dbraw/zinc/89/53/75/478895375.db2.gz ZHBFQEIOXMHUEO-WMLDXEAASA-N 1 3 346.475 2.505 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492259687 478896130 /nfs/dbraw/zinc/89/61/30/478896130.db2.gz QUBUFDUYABDYRC-OAHLLOKOSA-N 1 3 327.513 2.952 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492259687 478896134 /nfs/dbraw/zinc/89/61/34/478896134.db2.gz QUBUFDUYABDYRC-OAHLLOKOSA-N 1 3 327.513 2.952 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000565046085 478896679 /nfs/dbraw/zinc/89/66/79/478896679.db2.gz BLQDMHCPAHOVIK-FMKPAKJESA-N 1 3 327.432 2.514 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000506637442 478897660 /nfs/dbraw/zinc/89/76/60/478897660.db2.gz SVGDJCLVUMLIKU-OTWHNJEPSA-N 1 3 346.519 2.700 20 0 EFADHO COC(=O)c1cc2cc(C[N@H+](C3CC3)C3CCNCC3)ccc2o1 ZINC000592471207 478907315 /nfs/dbraw/zinc/90/73/15/478907315.db2.gz JUBWUFINVWFZIO-UHFFFAOYSA-N 1 3 328.412 2.936 20 0 EFADHO COC(=O)c1cc2cc(C[N@@H+](C3CC3)C3CCNCC3)ccc2o1 ZINC000592471207 478907322 /nfs/dbraw/zinc/90/73/22/478907322.db2.gz JUBWUFINVWFZIO-UHFFFAOYSA-N 1 3 328.412 2.936 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cn1 ZINC000572733201 478908641 /nfs/dbraw/zinc/90/86/41/478908641.db2.gz HFEBXSXPEDSSSC-RTBURBONSA-N 1 3 346.519 2.645 20 0 EFADHO COC(=O)c1cc(C[NH2+]C2CCN(C3CCC3)CC2)n2c1CCCC2 ZINC000598631006 478934044 /nfs/dbraw/zinc/93/40/44/478934044.db2.gz NGRRDRWLMIRMOA-UHFFFAOYSA-N 1 3 345.487 2.718 20 0 EFADHO CCN(CCN1CC[NH2+]CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000572842610 478934212 /nfs/dbraw/zinc/93/42/12/478934212.db2.gz NPOUVFWFGXIOAF-AWEZNQCLSA-N 1 3 329.410 2.994 20 0 EFADHO Cc1ccc(NC(=O)C2(CN[C@@H](C)C3C[NH2+]C3)CCCC2)cc1C ZINC000583806457 478946197 /nfs/dbraw/zinc/94/61/97/478946197.db2.gz HXSAYYRTLWPAAH-INIZCTEOSA-N 1 3 329.488 3.000 20 0 EFADHO Cc1ccc(NC(=O)C2(C[NH2+][C@@H](C)C3CNC3)CCCC2)cc1C ZINC000583806457 478946201 /nfs/dbraw/zinc/94/62/01/478946201.db2.gz HXSAYYRTLWPAAH-INIZCTEOSA-N 1 3 329.488 3.000 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225913 478958000 /nfs/dbraw/zinc/95/80/00/478958000.db2.gz HCGWLOYETUKNNA-RBSFLKMASA-N 1 3 346.393 2.596 20 0 EFADHO N[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225913 478958006 /nfs/dbraw/zinc/95/80/06/478958006.db2.gz HCGWLOYETUKNNA-RBSFLKMASA-N 1 3 346.393 2.596 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H](N)C3)CCOCC2)cc1 ZINC000565225581 478958043 /nfs/dbraw/zinc/95/80/43/478958043.db2.gz FZTUCUVCGVBPFE-QZTJIDSGSA-N 1 3 332.488 2.993 20 0 EFADHO c1sc(-c2ccc3c(c2)OCO3)nc1CNCC[C@H]1CC[NH2+]C1 ZINC000572969931 478963603 /nfs/dbraw/zinc/96/36/03/478963603.db2.gz QVCHBGXJFOOSIF-GFCCVEGCSA-N 1 3 331.441 2.628 20 0 EFADHO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000583930446 478972844 /nfs/dbraw/zinc/97/28/44/478972844.db2.gz JFXIBIAMGARWLG-ZBFHGGJFSA-N 1 3 338.879 2.628 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000583984354 478985291 /nfs/dbraw/zinc/98/52/91/478985291.db2.gz VPKQGMJXONXAQN-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO O=C(CCNC1CC[NH+](C2CCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000565359500 478987967 /nfs/dbraw/zinc/98/79/67/478987967.db2.gz YDYKQTHXSZXCKA-UHFFFAOYSA-N 1 3 337.414 2.900 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573088249 478988030 /nfs/dbraw/zinc/98/80/30/478988030.db2.gz JHHRRMHLZKOMSX-JENIJYKNSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000573126560 478999311 /nfs/dbraw/zinc/99/93/11/478999311.db2.gz VBPZSKMGYZLFKE-VQIMIIECSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000565490638 479021337 /nfs/dbraw/zinc/02/13/37/479021337.db2.gz KVRNIVVNVUJGQK-WOUAJJJCSA-N 1 3 331.504 2.655 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@@H+]1CCCC[C@H]1C ZINC000565527902 479027508 /nfs/dbraw/zinc/02/75/08/479027508.db2.gz HUWSNSFPUKPJDW-CABCVRRESA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCCO2)[N@H+]1CCCC[C@H]1C ZINC000565527902 479027512 /nfs/dbraw/zinc/02/75/12/479027512.db2.gz HUWSNSFPUKPJDW-CABCVRRESA-N 1 3 346.475 2.553 20 0 EFADHO c1c(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc2ccccn12 ZINC000584166897 479037162 /nfs/dbraw/zinc/03/71/62/479037162.db2.gz NJUDNNGNPBCYBK-RXVVDRJESA-N 1 3 348.450 2.722 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000584170274 479039985 /nfs/dbraw/zinc/03/99/85/479039985.db2.gz GLJWQOGIEKRDTI-ZACQAIPSSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](NC1CCN(C(=O)NC2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000565651701 479053874 /nfs/dbraw/zinc/05/38/74/479053874.db2.gz PTXCGLZYSUWCGO-MAUKXSAKSA-N 1 3 336.524 2.613 20 0 EFADHO CCc1[nH+]c2ccccc2c(NC[C@H](C)N2CCN(C)CC2)c1C ZINC000565672997 479060410 /nfs/dbraw/zinc/06/04/10/479060410.db2.gz BRZJCUFYFWEXRG-HNNXBMFYSA-N 1 3 326.488 2.575 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](C3CC3)C3CCC3)CC2)CC1 ZINC000584241738 479066110 /nfs/dbraw/zinc/06/61/10/479066110.db2.gz SXGJVPXEAGWCTG-FQEVSTJZSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](CNC(=O)C[C@@H]([NH3+])Cc1ccccc1)N(C)Cc1ccccc1 ZINC000514790203 479066208 /nfs/dbraw/zinc/06/62/08/479066208.db2.gz YJCGNNULFHAASN-PXNSSMCTSA-N 1 3 339.483 2.583 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c1C ZINC000514931877 479092920 /nfs/dbraw/zinc/09/29/20/479092920.db2.gz BCNRENFVBHZDLM-GUDVDZBRSA-N 1 3 334.504 2.814 20 0 EFADHO CSC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000584346667 479103414 /nfs/dbraw/zinc/10/34/14/479103414.db2.gz VTUQIYFIHOTUIN-INIZCTEOSA-N 1 3 342.936 2.866 20 0 EFADHO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000584405770 479122400 /nfs/dbraw/zinc/12/24/00/479122400.db2.gz ZSMZOHWPXBOOGK-UWJYYQICSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000584405767 479122622 /nfs/dbraw/zinc/12/26/22/479122622.db2.gz ZSMZOHWPXBOOGK-DYESRHJHSA-N 1 3 342.483 2.881 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@](C)(C[NH3+])C2)N2CCCC2)cc1 ZINC000515143104 479124952 /nfs/dbraw/zinc/12/49/52/479124952.db2.gz PSRYXSJWBVPYOW-ICSRJNTNSA-N 1 3 344.503 2.512 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000515223641 479136363 /nfs/dbraw/zinc/13/63/63/479136363.db2.gz WZSGYQVYKWBVBN-OALUTQOASA-N 1 3 344.503 2.690 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000493751838 479145527 /nfs/dbraw/zinc/14/55/27/479145527.db2.gz IWQSQSFFHOZVBU-SAYIFAPPSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)/C=C\CN(C)C ZINC000493751838 479145535 /nfs/dbraw/zinc/14/55/35/479145535.db2.gz IWQSQSFFHOZVBU-SAYIFAPPSA-N 1 3 329.488 2.795 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1CCOC[C@H]1CCCO1 ZINC000573803043 479146863 /nfs/dbraw/zinc/14/68/63/479146863.db2.gz CBXVNYGLCVHRQD-PWRODBHTSA-N 1 3 346.515 2.854 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c(C)c1 ZINC000573835331 479154797 /nfs/dbraw/zinc/15/47/97/479154797.db2.gz XDXOVEWABTUZGK-MOPGFXCFSA-N 1 3 334.504 2.897 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCC[NH+](C)C)N(C)C ZINC000584488760 479155003 /nfs/dbraw/zinc/15/50/03/479155003.db2.gz FKUIZPHKHIHNJL-WMZOPIPTSA-N 1 3 334.508 2.579 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C[C@H](O)COC(C)C)C2)s1 ZINC000573843192 479158024 /nfs/dbraw/zinc/15/80/24/479158024.db2.gz MEDPTOGGWFPNCL-SJORKVTESA-N 1 3 340.533 2.596 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H](O)COC(C)C)C2)s1 ZINC000573843192 479158030 /nfs/dbraw/zinc/15/80/30/479158030.db2.gz MEDPTOGGWFPNCL-SJORKVTESA-N 1 3 340.533 2.596 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)(C)n1cncn1 ZINC000573953132 479181917 /nfs/dbraw/zinc/18/19/17/479181917.db2.gz DZBXBBYJGMAYHC-QILLFSRXSA-N 1 3 345.466 2.524 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569842531 479193162 /nfs/dbraw/zinc/19/31/62/479193162.db2.gz RVKVQOCZDBZJRW-BQFCYCMXSA-N 1 3 334.508 2.568 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000574071612 479210594 /nfs/dbraw/zinc/21/05/94/479210594.db2.gz HIQHRQMLNMCXQY-RTBURBONSA-N 1 3 334.504 2.673 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCCC[NH+](C)C ZINC000556940484 479240902 /nfs/dbraw/zinc/24/09/02/479240902.db2.gz XYPDCKPGYUTWSP-UHFFFAOYSA-N 1 3 341.446 2.587 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000574276150 479254484 /nfs/dbraw/zinc/25/44/84/479254484.db2.gz JYIILUIIEOXHKM-CQSZACIVSA-N 1 3 329.444 2.756 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000584834495 479257727 /nfs/dbraw/zinc/25/77/27/479257727.db2.gz QMJBKWBMHLVUEE-NVXWUHKLSA-N 1 3 340.895 2.790 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000557164848 479261388 /nfs/dbraw/zinc/26/13/88/479261388.db2.gz YYLZYNMPKLMNSK-AEFFLSMTSA-N 1 3 344.503 2.511 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529724121 479270636 /nfs/dbraw/zinc/27/06/36/479270636.db2.gz WTPNYXFLWMEJAZ-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000529724121 479270645 /nfs/dbraw/zinc/27/06/45/479270645.db2.gz WTPNYXFLWMEJAZ-IBGZPJMESA-N 1 3 329.488 2.885 20 0 EFADHO COC(=O)COc1c(C)cc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1C ZINC000593315589 479289746 /nfs/dbraw/zinc/28/97/46/479289746.db2.gz IPTHGZUQXDWXGM-KBXCAEBGSA-N 1 3 348.487 2.805 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)CC3CCCC3)CC2)CC1 ZINC000557582377 479291658 /nfs/dbraw/zinc/29/16/58/479291658.db2.gz QKCFHNLAWVSCEE-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000585768085 479323631 /nfs/dbraw/zinc/32/36/31/479323631.db2.gz BGGCOAWKMATVPZ-LPHOPBHVSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)C[C@@H]1CCCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611273952 479333088 /nfs/dbraw/zinc/33/30/88/479333088.db2.gz JFDSPUUIGKAPRW-SFHVURJKSA-N 1 3 346.471 2.689 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@H](O)COCc2ccccc2F)c1 ZINC000574869388 479361416 /nfs/dbraw/zinc/36/14/16/479361416.db2.gz VGYFMCFVTSFYGQ-IBGZPJMESA-N 1 3 346.446 2.555 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C[C@H](O)COCc2ccccc2F)c1 ZINC000574869388 479361418 /nfs/dbraw/zinc/36/14/18/479361418.db2.gz VGYFMCFVTSFYGQ-IBGZPJMESA-N 1 3 346.446 2.555 20 0 EFADHO C[NH+](C)Cc1cccc(CNC[C@@H](O)COCc2ccccc2F)c1 ZINC000574869389 479361456 /nfs/dbraw/zinc/36/14/56/479361456.db2.gz VGYFMCFVTSFYGQ-LJQANCHMSA-N 1 3 346.446 2.555 20 0 EFADHO CN(C)Cc1cccc(C[NH2+]C[C@@H](O)COCc2ccccc2F)c1 ZINC000574869389 479361464 /nfs/dbraw/zinc/36/14/64/479361464.db2.gz VGYFMCFVTSFYGQ-LJQANCHMSA-N 1 3 346.446 2.555 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000586870326 479366787 /nfs/dbraw/zinc/36/67/87/479366787.db2.gz ZMIDDKDLQKIABK-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000586870326 479366793 /nfs/dbraw/zinc/36/67/93/479366793.db2.gz ZMIDDKDLQKIABK-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602530448 479384592 /nfs/dbraw/zinc/38/45/92/479384592.db2.gz KGLLUPDWBQEFOS-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602530448 479384597 /nfs/dbraw/zinc/38/45/97/479384597.db2.gz KGLLUPDWBQEFOS-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO COC(=O)c1cc(CNCC2CC[NH+](Cc3cccs3)CC2)on1 ZINC000602535087 479386544 /nfs/dbraw/zinc/38/65/44/479386544.db2.gz XPOQBTTYOBLFQE-UHFFFAOYSA-N 1 3 349.456 2.525 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046871 479395010 /nfs/dbraw/zinc/39/50/10/479395010.db2.gz PLOFFNYBPXZBTA-XLIONFOSSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046871 479395011 /nfs/dbraw/zinc/39/50/11/479395011.db2.gz PLOFFNYBPXZBTA-XLIONFOSSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046871 479395018 /nfs/dbraw/zinc/39/50/18/479395018.db2.gz PLOFFNYBPXZBTA-XLIONFOSSA-N 1 3 326.440 2.891 20 0 EFADHO COC(=O)c1csc(C[NH2+]CC2CCN(c3ccncc3)CC2)c1 ZINC000602581388 479408910 /nfs/dbraw/zinc/40/89/10/479408910.db2.gz JHZDEGBHUWEGGF-UHFFFAOYSA-N 1 3 345.468 2.936 20 0 EFADHO Cc1cccc(CC[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000575177005 479415674 /nfs/dbraw/zinc/41/56/74/479415674.db2.gz NTDOCAGCDYJLEL-ROUUACIJSA-N 1 3 331.504 2.754 20 0 EFADHO CSC[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000611587331 479426335 /nfs/dbraw/zinc/42/63/35/479426335.db2.gz AHNGSRWLSFQZKV-LWYYNNOASA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587331 479426340 /nfs/dbraw/zinc/42/63/40/479426340.db2.gz AHNGSRWLSFQZKV-LWYYNNOASA-N 1 3 348.556 2.991 20 0 EFADHO CSC[C@H](CCO)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000611587331 479426344 /nfs/dbraw/zinc/42/63/44/479426344.db2.gz AHNGSRWLSFQZKV-LWYYNNOASA-N 1 3 348.556 2.991 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611718160 479457277 /nfs/dbraw/zinc/45/72/77/479457277.db2.gz XSLPTWRCTNJHCT-UHFFFAOYSA-N 1 3 340.556 2.870 20 0 EFADHO CCc1ccccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC ZINC000575738410 479463977 /nfs/dbraw/zinc/46/39/77/479463977.db2.gz NLYTWRGIKYZESJ-SFHVURJKSA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccccc1C(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000575738410 479463981 /nfs/dbraw/zinc/46/39/81/479463981.db2.gz NLYTWRGIKYZESJ-SFHVURJKSA-N 1 3 331.504 2.737 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)[C@H](C)CC)N(C)C)cc1 ZINC000589206125 479497988 /nfs/dbraw/zinc/49/79/88/479497988.db2.gz VHOGKMFXVQJWLM-VQIMIIECSA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](C)[C@H](C)CC)N(C)C)cc1 ZINC000589206125 479497994 /nfs/dbraw/zinc/49/79/94/479497994.db2.gz VHOGKMFXVQJWLM-VQIMIIECSA-N 1 3 348.535 2.881 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602718262 479501125 /nfs/dbraw/zinc/50/11/25/479501125.db2.gz UKJHERBAUAHFOM-YWTNHNAXSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602718262 479501127 /nfs/dbraw/zinc/50/11/27/479501127.db2.gz UKJHERBAUAHFOM-YWTNHNAXSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602729187 479508801 /nfs/dbraw/zinc/50/88/01/479508801.db2.gz SVUPVBRLRIRACV-SJLPKXTDSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602729187 479508808 /nfs/dbraw/zinc/50/88/08/479508808.db2.gz SVUPVBRLRIRACV-SJLPKXTDSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602729187 479508817 /nfs/dbraw/zinc/50/88/17/479508817.db2.gz SVUPVBRLRIRACV-SJLPKXTDSA-N 1 3 332.488 2.933 20 0 EFADHO CSC1(CNCc2nc3c(s2)CCCC3)CC[NH+](C)CC1 ZINC000589325702 479514221 /nfs/dbraw/zinc/51/42/21/479514221.db2.gz NNELAAKDAGZWFU-UHFFFAOYSA-N 1 3 325.547 2.939 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC(CC[NH+](C)C)CC2)c1C ZINC000600115039 479523784 /nfs/dbraw/zinc/52/37/84/479523784.db2.gz MXWCBTUCUITHBW-UHFFFAOYSA-N 1 3 335.492 2.972 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000600158462 479550036 /nfs/dbraw/zinc/55/00/36/479550036.db2.gz AHOUWVHJXFLITO-XYPWUTKMSA-N 1 3 333.476 2.865 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1C ZINC000600158462 479550043 /nfs/dbraw/zinc/55/00/43/479550043.db2.gz AHOUWVHJXFLITO-XYPWUTKMSA-N 1 3 333.476 2.865 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2nn(C)c3ccccc23)C[C@H](C)O1 ZINC000589646168 479553343 /nfs/dbraw/zinc/55/33/43/479553343.db2.gz LAJBLKGJPLCCPM-HOTGVXAUSA-N 1 3 330.476 2.552 20 0 EFADHO COc1cc(C)c(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000576251377 479576298 /nfs/dbraw/zinc/57/62/98/479576298.db2.gz PNIFEMBQNNGBQA-PXNSSMCTSA-N 1 3 348.487 2.731 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000602851025 479592466 /nfs/dbraw/zinc/59/24/66/479592466.db2.gz XTYXTMFUUVLYAJ-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000602851025 479592473 /nfs/dbraw/zinc/59/24/73/479592473.db2.gz XTYXTMFUUVLYAJ-UHFFFAOYSA-N 1 3 333.476 2.963 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2occc2s1 ZINC000605508670 479652603 /nfs/dbraw/zinc/65/26/03/479652603.db2.gz BZHDNXYNTMTTDJ-CQSZACIVSA-N 1 3 349.500 2.982 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000579329993 479686199 /nfs/dbraw/zinc/68/61/99/479686199.db2.gz KLURRWVJXKJLEC-HNNXBMFYSA-N 1 3 330.476 2.528 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CCNC3)C1 ZINC000579329993 479686203 /nfs/dbraw/zinc/68/62/03/479686203.db2.gz KLURRWVJXKJLEC-HNNXBMFYSA-N 1 3 330.476 2.528 20 0 EFADHO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000612579626 479700096 /nfs/dbraw/zinc/70/00/96/479700096.db2.gz ODYRNGBMXLRCIE-ICSRJNTNSA-N 1 3 348.487 2.839 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 ZINC000633189931 479709209 /nfs/dbraw/zinc/70/92/09/479709209.db2.gz FZLKQDYIOGGZDI-GOSISDBHSA-N 1 3 348.535 2.663 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606667674 479720263 /nfs/dbraw/zinc/72/02/63/479720263.db2.gz JFQKLXCBAWEJBI-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606667674 479720268 /nfs/dbraw/zinc/72/02/68/479720268.db2.gz JFQKLXCBAWEJBI-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621641477 479734960 /nfs/dbraw/zinc/73/49/60/479734960.db2.gz LAULLRAFPYUEEM-PKOBYXMFSA-N 1 3 331.504 2.748 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653997 479738025 /nfs/dbraw/zinc/73/80/25/479738025.db2.gz MMCULVVHHUXZTR-FQEVSTJZSA-N 1 3 345.531 2.789 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621657749 479738928 /nfs/dbraw/zinc/73/89/28/479738928.db2.gz TYILJCKOTZYPBB-IRXDYDNUSA-N 1 3 344.503 2.503 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621657750 479739024 /nfs/dbraw/zinc/73/90/24/479739024.db2.gz TYILJCKOTZYPBB-SJORKVTESA-N 1 3 344.503 2.503 20 0 EFADHO C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1CO ZINC000621736990 479776594 /nfs/dbraw/zinc/77/65/94/479776594.db2.gz JWQFFJQJNLNUBZ-PKOBYXMFSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1CO ZINC000621736990 479776602 /nfs/dbraw/zinc/77/66/02/479776602.db2.gz JWQFFJQJNLNUBZ-PKOBYXMFSA-N 1 3 345.531 2.667 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000621773153 479787405 /nfs/dbraw/zinc/78/74/05/479787405.db2.gz HMRURYSNKZNIDD-NCYKPQTJSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000621773153 479787413 /nfs/dbraw/zinc/78/74/13/479787413.db2.gz HMRURYSNKZNIDD-NCYKPQTJSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000628158435 479789885 /nfs/dbraw/zinc/78/98/85/479789885.db2.gz NUESYGSBILZWDL-KSZLIROESA-N 1 3 325.566 2.763 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@]2(C)CCCS2)CC1 ZINC000628158435 479789890 /nfs/dbraw/zinc/78/98/90/479789890.db2.gz NUESYGSBILZWDL-KSZLIROESA-N 1 3 325.566 2.763 20 0 EFADHO C[C@H]1CN(Cc2ccc3[nH]ccc3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000628186522 479802118 /nfs/dbraw/zinc/80/21/18/479802118.db2.gz NGMGFEDYVHDYEG-OXJNMPFZSA-N 1 3 326.488 2.626 20 0 EFADHO O[C@@H](CNCCc1cccc(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000628209341 479815007 /nfs/dbraw/zinc/81/50/07/479815007.db2.gz ZLYMPYRMBHEFKD-INIZCTEOSA-N 1 3 330.394 2.684 20 0 EFADHO COC(=O)c1cccc(CNCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000619508912 479815400 /nfs/dbraw/zinc/81/54/00/479815400.db2.gz BRFOAKCVIBLDST-UHFFFAOYSA-N 1 3 342.439 2.703 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000612963833 479820289 /nfs/dbraw/zinc/82/02/89/479820289.db2.gz LWRYLVWFGKNIBU-MSOLQXFVSA-N 1 3 344.503 2.511 20 0 EFADHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631601644 480177157 /nfs/dbraw/zinc/17/71/57/480177157.db2.gz JJTIYZPAHYPZBZ-SLFFLAALSA-N 1 3 329.488 2.817 20 0 EFADHO COC[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000631664925 480206248 /nfs/dbraw/zinc/20/62/48/480206248.db2.gz SHHHTIOGXLYJQV-UIFIKXQLSA-N 1 3 346.515 2.786 20 0 EFADHO C[C@H]1C[C@@H](c2ccccc2)C[C@@H](NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000629407289 480245582 /nfs/dbraw/zinc/24/55/82/480245582.db2.gz YSWQIPWSRBCMEW-ZNWBIBPKSA-N 1 3 339.487 2.875 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2NCc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629405194 480245984 /nfs/dbraw/zinc/24/59/84/480245984.db2.gz HQKWVMNRGKHNPH-QYZOEREBSA-N 1 3 325.460 2.547 20 0 EFADHO c1c(CN[C@H]2CCCC[C@H]2c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000629414096 480248782 /nfs/dbraw/zinc/24/87/82/480248782.db2.gz CPWXQMLQRFWPBW-QYZOEREBSA-N 1 3 325.460 2.629 20 0 EFADHO Cc1cc(CNCCC2CC[NH+](C)CC2)ncc1Br ZINC000623403548 480266470 /nfs/dbraw/zinc/26/64/70/480266470.db2.gz ZVWZTUDLAHFFDE-UHFFFAOYSA-N 1 3 326.282 2.974 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCCCC[C@H](N)C1 ZINC000631832655 480290759 /nfs/dbraw/zinc/29/07/59/480290759.db2.gz KPNHEFHKLDPKNO-AWEZNQCLSA-N 1 3 339.867 2.881 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCCC[C@H](N)C1 ZINC000631832655 480290763 /nfs/dbraw/zinc/29/07/63/480290763.db2.gz KPNHEFHKLDPKNO-AWEZNQCLSA-N 1 3 339.867 2.881 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521261 480293490 /nfs/dbraw/zinc/29/34/90/480293490.db2.gz OQQCWVRORMKARC-JLSDUUJJSA-N 1 3 337.895 2.523 20 0 EFADHO C[N@@H+]1C[C@H](C(=O)NCC(C)(C)N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000623467691 480297792 /nfs/dbraw/zinc/29/77/92/480297792.db2.gz TUQINHYBPSWNDV-MOPGFXCFSA-N 1 3 343.515 2.713 20 0 EFADHO C[N@H+]1C[C@H](C(=O)NCC(C)(C)N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000623467691 480297794 /nfs/dbraw/zinc/29/77/94/480297794.db2.gz TUQINHYBPSWNDV-MOPGFXCFSA-N 1 3 343.515 2.713 20 0 EFADHO CO[C@H](CN1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000629547681 480298995 /nfs/dbraw/zinc/29/89/95/480298995.db2.gz LIOPWUUHFAHLIH-ZSYWTGECSA-N 1 3 336.451 2.874 20 0 EFADHO Clc1cccc([C@@H]2CC[C@@H](NCc3cn([C@@H]4CC[NH2+]C4)nn3)C2)c1 ZINC000629548620 480301598 /nfs/dbraw/zinc/30/15/98/480301598.db2.gz HSASIDNNFOCRRN-QGPMSJSTSA-N 1 3 345.878 2.892 20 0 EFADHO O[C@H](CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000629554688 480304121 /nfs/dbraw/zinc/30/41/21/480304121.db2.gz NFYKRXASABSRBL-XRXFAXGQSA-N 1 3 346.515 2.855 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626307612 480304722 /nfs/dbraw/zinc/30/47/22/480304722.db2.gz LCYOASNGSCJMBY-FFZOFVMBSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626307612 480304730 /nfs/dbraw/zinc/30/47/30/480304730.db2.gz LCYOASNGSCJMBY-FFZOFVMBSA-N 1 3 343.515 2.521 20 0 EFADHO O[C@H](C[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21)CN1CCCC1 ZINC000629558614 480305594 /nfs/dbraw/zinc/30/55/94/480305594.db2.gz KNHZXXCSUWXGSO-PBHICJAKSA-N 1 3 340.414 2.712 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@@H]2CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629565458 480310645 /nfs/dbraw/zinc/31/06/45/480310645.db2.gz PTFVELSTGUVZJT-AABGKKOBSA-N 1 3 332.488 2.509 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000621108535 480338409 /nfs/dbraw/zinc/33/84/09/480338409.db2.gz BFGKPRKMASRYTJ-UYAOXDASSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000621108535 480338417 /nfs/dbraw/zinc/33/84/17/480338417.db2.gz BFGKPRKMASRYTJ-UYAOXDASSA-N 1 3 343.515 2.918 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2CC2=Cc3ccccc3OC2)C1 ZINC000629649848 480343237 /nfs/dbraw/zinc/34/32/37/480343237.db2.gz IAUORWZGUSNDKW-WSTZPKSXSA-N 1 3 328.456 2.823 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000644422158 480385163 /nfs/dbraw/zinc/38/51/63/480385163.db2.gz LFTQDEUWIHIXOU-GOEBONIOSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000635485523 480414646 /nfs/dbraw/zinc/41/46/46/480414646.db2.gz ZILZTYWKTKHBIJ-GOSISDBHSA-N 1 3 329.488 2.672 20 0 EFADHO Cn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000634688007 480430893 /nfs/dbraw/zinc/43/08/93/480430893.db2.gz FIAVOHNPPUREAA-UYAOXDASSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CC[N@H+]1CCCC[C@@H]1[C@@H](CN)Cc1ccccc1 ZINC000634688007 480430897 /nfs/dbraw/zinc/43/08/97/480430897.db2.gz FIAVOHNPPUREAA-UYAOXDASSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CCN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000634688007 480430902 /nfs/dbraw/zinc/43/09/02/480430902.db2.gz FIAVOHNPPUREAA-UYAOXDASSA-N 1 3 326.488 2.635 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000635526810 480440837 /nfs/dbraw/zinc/44/08/37/480440837.db2.gz CLQKILPDJNGDAE-WDSOQIARSA-N 1 3 346.519 2.886 20 0 EFADHO Cc1noc(C)c1[C@@H](C)CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709186 480449185 /nfs/dbraw/zinc/44/91/85/480449185.db2.gz FMWFYHSHELWSBK-YWZLYKJASA-N 1 3 343.471 2.622 20 0 EFADHO Cc1noc(C)c1[C@@H](C)CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709186 480449193 /nfs/dbraw/zinc/44/91/93/480449193.db2.gz FMWFYHSHELWSBK-YWZLYKJASA-N 1 3 343.471 2.622 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@H]2c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712540 480453961 /nfs/dbraw/zinc/45/39/61/480453961.db2.gz HWZFNUXINVKLOL-HBMCJLEFSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@H]2c2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712540 480453971 /nfs/dbraw/zinc/45/39/71/480453971.db2.gz HWZFNUXINVKLOL-HBMCJLEFSA-N 1 3 340.442 2.908 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000644603622 480466348 /nfs/dbraw/zinc/46/63/48/480466348.db2.gz HBKWDLKPTXWTJK-UXHICEINSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000644603622 480466353 /nfs/dbraw/zinc/46/63/53/480466353.db2.gz HBKWDLKPTXWTJK-UXHICEINSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000644603622 480466359 /nfs/dbraw/zinc/46/63/59/480466359.db2.gz HBKWDLKPTXWTJK-UXHICEINSA-N 1 3 334.504 2.522 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629963540 480476005 /nfs/dbraw/zinc/47/60/05/480476005.db2.gz ONPRXBXIOUSSBA-YLJYHZDGSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629963540 480476012 /nfs/dbraw/zinc/47/60/12/480476012.db2.gz ONPRXBXIOUSSBA-YLJYHZDGSA-N 1 3 343.515 2.982 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000629963955 480478210 /nfs/dbraw/zinc/47/82/10/480478210.db2.gz YUGVRVAZXSGGOV-KDOFPFPSSA-N 1 3 335.517 2.732 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000629963955 480478220 /nfs/dbraw/zinc/47/82/20/480478220.db2.gz YUGVRVAZXSGGOV-KDOFPFPSSA-N 1 3 335.517 2.732 20 0 EFADHO CCC[C@H](CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000638033526 480479310 /nfs/dbraw/zinc/47/93/10/480479310.db2.gz LHDGZEQIFRLZEZ-HXUWFJFHSA-N 1 3 333.520 2.551 20 0 EFADHO CCC[C@H](CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000638033526 480479318 /nfs/dbraw/zinc/47/93/18/480479318.db2.gz LHDGZEQIFRLZEZ-HXUWFJFHSA-N 1 3 333.520 2.551 20 0 EFADHO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1Cl)CN1CCCC1 ZINC000644631948 480485451 /nfs/dbraw/zinc/48/54/51/480485451.db2.gz HSBDRXVHLVFPKF-HNNXBMFYSA-N 1 3 340.895 2.791 20 0 EFADHO O=C(CCNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000644635946 480489600 /nfs/dbraw/zinc/48/96/00/480489600.db2.gz PJRQGBPCZQYBCI-GOSISDBHSA-N 1 3 338.455 2.522 20 0 EFADHO O=C(CCNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000644635946 480489605 /nfs/dbraw/zinc/48/96/05/480489605.db2.gz PJRQGBPCZQYBCI-GOSISDBHSA-N 1 3 338.455 2.522 20 0 EFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000629980057 480490791 /nfs/dbraw/zinc/49/07/91/480490791.db2.gz BNNMSMBVPWSTJW-LJQANCHMSA-N 1 3 331.504 2.744 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000634761254 480504764 /nfs/dbraw/zinc/50/47/64/480504764.db2.gz WMVPYLDYMLXHJG-IBGZPJMESA-N 1 3 343.515 2.793 20 0 EFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888781 480506476 /nfs/dbraw/zinc/50/64/76/480506476.db2.gz ULRJTEMGVQMKCG-PKOBYXMFSA-N 1 3 331.504 2.932 20 0 EFADHO CC[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888781 480506483 /nfs/dbraw/zinc/50/64/83/480506483.db2.gz ULRJTEMGVQMKCG-PKOBYXMFSA-N 1 3 331.504 2.932 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000638081360 480520640 /nfs/dbraw/zinc/52/06/40/480520640.db2.gz YPERAZUASQZCPW-OAHLLOKOSA-N 1 3 341.883 2.982 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638103823 480536556 /nfs/dbraw/zinc/53/65/56/480536556.db2.gz UVDWCVAYEXILCH-NEWSRXKRSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638103823 480536560 /nfs/dbraw/zinc/53/65/60/480536560.db2.gz UVDWCVAYEXILCH-NEWSRXKRSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638118578 480544666 /nfs/dbraw/zinc/54/46/66/480544666.db2.gz AURKEEMAJYXTNY-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638118578 480544674 /nfs/dbraw/zinc/54/46/74/480544674.db2.gz AURKEEMAJYXTNY-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO COc1cccc(C[C@@H](N)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000638126083 480554627 /nfs/dbraw/zinc/55/46/27/480554627.db2.gz PFSCHDNSTZBUTL-GOSISDBHSA-N 1 3 341.455 2.574 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000621502340 480558183 /nfs/dbraw/zinc/55/81/83/480558183.db2.gz FNPWBXOYLMUOAM-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000621502340 480558192 /nfs/dbraw/zinc/55/81/92/480558192.db2.gz FNPWBXOYLMUOAM-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO COCC[N@H+](C)CCCC1CCN([C@H](c2nccn2C)C2CC2)CC1 ZINC000638133615 480558310 /nfs/dbraw/zinc/55/83/10/480558310.db2.gz RWXRCXDNCNJPQZ-IBGZPJMESA-N 1 3 348.535 2.942 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN([C@H](c2nccn2C)C2CC2)CC1 ZINC000638133615 480558318 /nfs/dbraw/zinc/55/83/18/480558318.db2.gz RWXRCXDNCNJPQZ-IBGZPJMESA-N 1 3 348.535 2.942 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3nccnc3c2)C1 ZINC000638135005 480561197 /nfs/dbraw/zinc/56/11/97/480561197.db2.gz RBDSUCIBZAKZBN-QGZVFWFLSA-N 1 3 328.460 2.563 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1)N(C)C ZINC000638200716 480598931 /nfs/dbraw/zinc/59/89/31/480598931.db2.gz GFFLCYKJJJRMKQ-IPMKNSEASA-N 1 3 331.504 2.525 20 0 EFADHO NC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccc2ccccc2c1 ZINC000638207538 480604173 /nfs/dbraw/zinc/60/41/73/480604173.db2.gz ZMDYKNKUSPNNJP-IBGZPJMESA-N 1 3 337.467 2.832 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624119819 480618641 /nfs/dbraw/zinc/61/86/41/480618641.db2.gz KKNOPLHKGJKZNC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624119819 480618646 /nfs/dbraw/zinc/61/86/46/480618646.db2.gz KKNOPLHKGJKZNC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624119819 480618652 /nfs/dbraw/zinc/61/86/52/480618652.db2.gz KKNOPLHKGJKZNC-JKSUJKDBSA-N 1 3 333.476 2.734 20 0 EFADHO Cc1ccc(NC2CC[NH+](CC(C)(C)O)CC2)c(OCCN(C)C)c1 ZINC000638256758 480629911 /nfs/dbraw/zinc/62/99/11/480629911.db2.gz RRBFTSPGTOZNLC-UHFFFAOYSA-N 1 3 349.519 2.583 20 0 EFADHO CO[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)CC(C)C ZINC000638273279 480636923 /nfs/dbraw/zinc/63/69/23/480636923.db2.gz GIYFKGHGKYOWKY-FQEVSTJZSA-N 1 3 334.504 2.794 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](c1ccccc1)N(C)C ZINC000635811076 480646138 /nfs/dbraw/zinc/64/61/38/480646138.db2.gz MAMDLPDWHXVJSO-FUHWJXTLSA-N 1 3 329.488 2.670 20 0 EFADHO CO[C@@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCOC1 ZINC000638311719 480659219 /nfs/dbraw/zinc/65/92/19/480659219.db2.gz ATMBMSSTIUIMBU-PMACEKPBSA-N 1 3 332.488 2.814 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310096 480659660 /nfs/dbraw/zinc/65/96/60/480659660.db2.gz WABZSABXCPHNCD-UHOSZYNNSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310096 480659664 /nfs/dbraw/zinc/65/96/64/480659664.db2.gz WABZSABXCPHNCD-UHOSZYNNSA-N 1 3 331.504 2.777 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3nccnc3c2)cc1 ZINC000634953957 480660228 /nfs/dbraw/zinc/66/02/28/480660228.db2.gz OQTBTOVLTAGROE-UHFFFAOYSA-N 1 3 336.439 2.860 20 0 EFADHO CC(C)O[C@@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000638356576 480681263 /nfs/dbraw/zinc/68/12/63/480681263.db2.gz RWWMOEUTUVXBMA-FQEVSTJZSA-N 1 3 333.520 2.768 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000638359340 480682055 /nfs/dbraw/zinc/68/20/55/480682055.db2.gz KCDZQTGEBPYKSY-UHFFFAOYSA-N 1 3 347.322 2.836 20 0 EFADHO CCc1nc2c(s1)[C@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635007695 480684505 /nfs/dbraw/zinc/68/45/05/480684505.db2.gz GGHPHBZKMQXVBX-CQSZACIVSA-N 1 3 343.500 3.000 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1 ZINC000635007055 480684873 /nfs/dbraw/zinc/68/48/73/480684873.db2.gz DKNORSFOOJTDCU-CQSZACIVSA-N 1 3 339.443 2.623 20 0 EFADHO COc1ccc(OC)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635007766 480684926 /nfs/dbraw/zinc/68/49/26/480684926.db2.gz GRXMSTKLFXCVDK-AWEZNQCLSA-N 1 3 342.443 2.682 20 0 EFADHO COc1ccc2c(c1)C[C@@H](NCC[C@@H]([NH3+])Cc1ccccc1)CO2 ZINC000635007381 480684976 /nfs/dbraw/zinc/68/49/76/480684976.db2.gz OHIXFNCLSGOWKE-QZTJIDSGSA-N 1 3 326.440 2.548 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCOC1 ZINC000638362751 480685330 /nfs/dbraw/zinc/68/53/30/480685330.db2.gz DUCWIQHTOFUWIT-PXNSSMCTSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCOC1 ZINC000638362751 480685335 /nfs/dbraw/zinc/68/53/35/480685335.db2.gz DUCWIQHTOFUWIT-PXNSSMCTSA-N 1 3 332.488 2.956 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635009029 480685412 /nfs/dbraw/zinc/68/54/12/480685412.db2.gz LQNWHIOOTCJPRP-IBGZPJMESA-N 1 3 338.455 2.989 20 0 EFADHO CC(=O)Nc1cccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c1 ZINC000635011090 480686231 /nfs/dbraw/zinc/68/62/31/480686231.db2.gz XKOGZMIRWWQITH-AWEZNQCLSA-N 1 3 339.443 2.623 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000638365392 480686566 /nfs/dbraw/zinc/68/65/66/480686566.db2.gz BBIYRPVDNUXTSC-XLIONFOSSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000638365392 480686574 /nfs/dbraw/zinc/68/65/74/480686574.db2.gz BBIYRPVDNUXTSC-XLIONFOSSA-N 1 3 332.488 2.814 20 0 EFADHO COc1ncc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1Cl ZINC000635011043 480686738 /nfs/dbraw/zinc/68/67/38/480686738.db2.gz LYYLYCMIDQLAJU-LBPRGKRZSA-N 1 3 347.850 2.721 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635009837 480687462 /nfs/dbraw/zinc/68/74/62/480687462.db2.gz HUDWFXKWQOYGQC-ZHALLVOQSA-N 1 3 330.520 2.660 20 0 EFADHO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(N2CCOCC2)c1 ZINC000635013301 480687957 /nfs/dbraw/zinc/68/79/57/480687957.db2.gz XUTZWALGWPGNRI-AEFFLSMTSA-N 1 3 331.504 2.952 20 0 EFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1 ZINC000635012129 480688641 /nfs/dbraw/zinc/68/86/41/480688641.db2.gz QZECEUTVPDALKR-OAHLLOKOSA-N 1 3 326.444 2.981 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000635014069 480690157 /nfs/dbraw/zinc/69/01/57/480690157.db2.gz LRHSQUCPYWLLHV-WFASDCNBSA-N 1 3 333.863 2.929 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CN[C@H]2CCCNC(=O)C2)C1 ZINC000638374910 480693402 /nfs/dbraw/zinc/69/34/02/480693402.db2.gz RGMWNEMZEARILT-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638427836 480720721 /nfs/dbraw/zinc/72/07/21/480720721.db2.gz QWSXKIKTCPFRIC-QGZVFWFLSA-N 1 3 334.504 2.896 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]Cc2ccccc2OCCN(C)C)ccn1 ZINC000638446402 480729726 /nfs/dbraw/zinc/72/97/26/480729726.db2.gz WPJJEOJBOJVVNZ-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[NH+]3CCCCCC3)cc2)CCOC1 ZINC000638446591 480729810 /nfs/dbraw/zinc/72/98/10/480729810.db2.gz YMRREMUMYWRUMP-HXUWFJFHSA-N 1 3 332.488 2.958 20 0 EFADHO CN1CCC(N2CCC([NH2+]CC(C)(C)Oc3ccccc3)CC2)CC1 ZINC000638460270 480737027 /nfs/dbraw/zinc/73/70/27/480737027.db2.gz UKLKYKVHZYUMRJ-UHFFFAOYSA-N 1 3 345.531 2.992 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635140047 480744759 /nfs/dbraw/zinc/74/47/59/480744759.db2.gz QVGVLIUOBKDVFD-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@H]1CCN1C1CCCC1)Cc1ccccc1 ZINC000635140047 480744765 /nfs/dbraw/zinc/74/47/65/480744765.db2.gz QVGVLIUOBKDVFD-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO COc1cc(CN(C)C)ccc1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000636013311 480757578 /nfs/dbraw/zinc/75/75/78/480757578.db2.gz MZHUPYHELNANMG-UHFFFAOYSA-N 1 3 331.460 2.571 20 0 EFADHO Cc1ccc(CC[NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)cc1 ZINC000638512899 480760869 /nfs/dbraw/zinc/76/08/69/480760869.db2.gz JAKINHQOEDVLMQ-UHFFFAOYSA-N 1 3 339.483 2.619 20 0 EFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000638521205 480763021 /nfs/dbraw/zinc/76/30/21/480763021.db2.gz ATXNDJYAWIPJSI-RLLQIKCJSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000638521204 480763302 /nfs/dbraw/zinc/76/33/02/480763302.db2.gz ATXNDJYAWIPJSI-MISYRCLQSA-N 1 3 343.515 2.588 20 0 EFADHO CO[C@]1(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)CCOC1 ZINC000638567191 480784049 /nfs/dbraw/zinc/78/40/49/480784049.db2.gz JKITUDQZNPDXDO-FQEVSTJZSA-N 1 3 332.488 2.814 20 0 EFADHO COC[C@](C)(O)C[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638584582 480788428 /nfs/dbraw/zinc/78/84/28/480788428.db2.gz UEJUYQQEVARYLN-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@](C)(O)CNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638584582 480788430 /nfs/dbraw/zinc/78/84/30/480788430.db2.gz UEJUYQQEVARYLN-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@](C)(O)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638584582 480788434 /nfs/dbraw/zinc/78/84/34/480788434.db2.gz UEJUYQQEVARYLN-NHCUHLMSSA-N 1 3 348.531 2.912 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[NH+]2CCCCCC2)CCOC1 ZINC000638610327 480798015 /nfs/dbraw/zinc/79/80/15/480798015.db2.gz OYWNPXHYJINZAO-HXUWFJFHSA-N 1 3 332.488 2.958 20 0 EFADHO CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000627616574 480800460 /nfs/dbraw/zinc/80/04/60/480800460.db2.gz VGJUQOVQSLXZFJ-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000627619535 480804068 /nfs/dbraw/zinc/80/40/68/480804068.db2.gz LWXQBIJTGGKHIK-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000627619535 480804071 /nfs/dbraw/zinc/80/40/71/480804071.db2.gz LWXQBIJTGGKHIK-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546957 480811567 /nfs/dbraw/zinc/81/15/67/480811567.db2.gz NQOVTZKUSPDNSN-QRVBRYPASA-N 1 3 348.535 2.662 20 0 EFADHO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546957 480811574 /nfs/dbraw/zinc/81/15/74/480811574.db2.gz NQOVTZKUSPDNSN-QRVBRYPASA-N 1 3 348.535 2.662 20 0 EFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624545629 480811617 /nfs/dbraw/zinc/81/16/17/480811617.db2.gz KJSIJBMDNOICSU-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000632953589 480820291 /nfs/dbraw/zinc/82/02/91/480820291.db2.gz YBYWDOUHDCFGAJ-UHFFFAOYSA-N 1 3 328.460 2.772 20 0 EFADHO C[C@H](NC1CC[NH+](CC(C)(C)O)CC1)c1ccc(-n2cccn2)cc1 ZINC000638693435 480831431 /nfs/dbraw/zinc/83/14/31/480831431.db2.gz SDUWEHUARDNZGI-INIZCTEOSA-N 1 3 342.487 2.758 20 0 EFADHO CC[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1C ZINC000638716450 480838923 /nfs/dbraw/zinc/83/89/23/480838923.db2.gz KHUUHOVUKDLPMK-SFHVURJKSA-N 1 3 334.504 2.977 20 0 EFADHO CC(C)(O)C[NH+]1CCC(NC[C@H]2SCCc3ccccc32)CC1 ZINC000638716131 480838978 /nfs/dbraw/zinc/83/89/78/480838978.db2.gz IEWBBAVQOPWSJL-GOSISDBHSA-N 1 3 334.529 2.842 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632994700 480839934 /nfs/dbraw/zinc/83/99/34/480839934.db2.gz DPXREHZHRFYXGA-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCOCC2 ZINC000630682932 480842330 /nfs/dbraw/zinc/84/23/30/480842330.db2.gz WYVZISMHVUFGRW-GUDVDZBRSA-N 1 3 332.488 2.510 20 0 EFADHO CCO[C@@H]1C[C@@H](NCC[C@@H]([NH3+])Cc2ccccc2)C12CCOCC2 ZINC000630682932 480842337 /nfs/dbraw/zinc/84/23/37/480842337.db2.gz WYVZISMHVUFGRW-GUDVDZBRSA-N 1 3 332.488 2.510 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](N)Cc2ccccc2)C12CCOCC2 ZINC000630682930 480842595 /nfs/dbraw/zinc/84/25/95/480842595.db2.gz WYVZISMHVUFGRW-CEXWTWQISA-N 1 3 332.488 2.510 20 0 EFADHO CCO[C@@H]1C[C@H](NCC[C@@H]([NH3+])Cc2ccccc2)C12CCOCC2 ZINC000630682930 480842601 /nfs/dbraw/zinc/84/26/01/480842601.db2.gz WYVZISMHVUFGRW-CEXWTWQISA-N 1 3 332.488 2.510 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)Cc1ccccc1 ZINC000638723221 480842641 /nfs/dbraw/zinc/84/26/41/480842641.db2.gz FXXRRGBKMHDNNQ-SFHVURJKSA-N 1 3 347.547 2.722 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000633010798 480846267 /nfs/dbraw/zinc/84/62/67/480846267.db2.gz ZYWGRQZXOXSLNL-ZWKOTPCHSA-N 1 3 344.503 2.610 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)c2cnn(CCN(C)C)c2)c1 ZINC000630713039 480853359 /nfs/dbraw/zinc/85/33/59/480853359.db2.gz YKBHCRAFPJSNKQ-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000645472579 480856342 /nfs/dbraw/zinc/85/63/42/480856342.db2.gz MOUJDOGRAFJPRX-CTNGQTDRSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@@](C)(N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179266 480856487 /nfs/dbraw/zinc/85/64/87/480856487.db2.gz IJFOXKRYUIOODT-LJQANCHMSA-N 1 3 327.476 2.896 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000638762015 480856526 /nfs/dbraw/zinc/85/65/26/480856526.db2.gz PSXYRXJUVLHFQI-AGKXRFJRSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000638762015 480856529 /nfs/dbraw/zinc/85/65/29/480856529.db2.gz PSXYRXJUVLHFQI-AGKXRFJRSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]CC2(CO)COC2)CCN(Cc2ccccc2)C1 ZINC000638776694 480863816 /nfs/dbraw/zinc/86/38/16/480863816.db2.gz CPVTZOLIGLWZSH-NRFANRHFSA-N 1 3 346.515 2.523 20 0 EFADHO CC(C)(C)[C@]1(CNCC2(CO)COC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638776694 480863823 /nfs/dbraw/zinc/86/38/23/480863823.db2.gz CPVTZOLIGLWZSH-NRFANRHFSA-N 1 3 346.515 2.523 20 0 EFADHO CC(C)(C)[C@]1(CNCC2(CO)COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638776694 480863829 /nfs/dbraw/zinc/86/38/29/480863829.db2.gz CPVTZOLIGLWZSH-NRFANRHFSA-N 1 3 346.515 2.523 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000641226590 480875661 /nfs/dbraw/zinc/87/56/61/480875661.db2.gz CYFMRDWHWIHNIG-BHIYHBOVSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633096025 480879419 /nfs/dbraw/zinc/87/94/19/480879419.db2.gz VIGYAYOXLVDHHW-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2NCC2(C)C)C1 ZINC000645541886 480886016 /nfs/dbraw/zinc/88/60/16/480886016.db2.gz HYHZFUXYJHLKME-FCEWJHQRSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2NCC2(C)C)C1 ZINC000645541886 480886022 /nfs/dbraw/zinc/88/60/22/480886022.db2.gz HYHZFUXYJHLKME-FCEWJHQRSA-N 1 3 343.515 2.779 20 0 EFADHO CN(C)C[C@H](NC(=O)CC1(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000638830165 480887960 /nfs/dbraw/zinc/88/79/60/480887960.db2.gz MUFBVSIGAXTDMT-AWEZNQCLSA-N 1 3 343.393 2.553 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638854878 480899003 /nfs/dbraw/zinc/89/90/03/480899003.db2.gz VKNLVTINIBQLAF-UHFFFAOYSA-N 1 3 345.318 2.693 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638854496 480899041 /nfs/dbraw/zinc/89/90/41/480899041.db2.gz VTPQLQNNYMSECG-ZWKOTPCHSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856098 480899347 /nfs/dbraw/zinc/89/93/47/480899347.db2.gz UTLJYHXOYPYMKW-WMZOPIPTSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856098 480899349 /nfs/dbraw/zinc/89/93/49/480899349.db2.gz UTLJYHXOYPYMKW-WMZOPIPTSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000638858701 480899911 /nfs/dbraw/zinc/89/99/11/480899911.db2.gz BEOGXCLOLHQAQE-AEFFLSMTSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1ccc([C@@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)N2CCCC2)o1 ZINC000638859679 480899974 /nfs/dbraw/zinc/89/99/74/480899974.db2.gz QTGVGUSTJGHNPY-GOSISDBHSA-N 1 3 349.519 2.550 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000636311853 480903691 /nfs/dbraw/zinc/90/36/91/480903691.db2.gz ZDTPQKWKLBJUIN-GOSISDBHSA-N 1 3 333.520 2.870 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)cc1 ZINC000639006142 480928941 /nfs/dbraw/zinc/92/89/41/480928941.db2.gz UCHCKXHIFNJELR-PMACEKPBSA-N 1 3 337.467 2.776 20 0 EFADHO CC[NH+](CC)CCOCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000639063531 480939738 /nfs/dbraw/zinc/93/97/38/480939738.db2.gz XJKPSEQYAYCYEO-UHFFFAOYSA-N 1 3 337.414 2.961 20 0 EFADHO c1cc(OC[C@@H]2CCCO2)ccc1C[N@H+](C1CC1)C1CCNCC1 ZINC000647482859 480961718 /nfs/dbraw/zinc/96/17/18/480961718.db2.gz DJUQFDPLEFSYSV-FQEVSTJZSA-N 1 3 330.472 2.961 20 0 EFADHO c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000647482859 480961722 /nfs/dbraw/zinc/96/17/22/480961722.db2.gz DJUQFDPLEFSYSV-FQEVSTJZSA-N 1 3 330.472 2.961 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118663 480963526 /nfs/dbraw/zinc/96/35/26/480963526.db2.gz POEBAQRASXOWKV-PLACYPQZSA-N 1 3 344.499 2.825 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118663 480963530 /nfs/dbraw/zinc/96/35/30/480963530.db2.gz POEBAQRASXOWKV-PLACYPQZSA-N 1 3 344.499 2.825 20 0 EFADHO CN(C)CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647489023 480963939 /nfs/dbraw/zinc/96/39/39/480963939.db2.gz JUUUSXNAFNWQEH-VQTJNVASSA-N 1 3 331.504 2.734 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118661 480964642 /nfs/dbraw/zinc/96/46/42/480964642.db2.gz POEBAQRASXOWKV-DOIPELPJSA-N 1 3 344.499 2.825 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000639118661 480964648 /nfs/dbraw/zinc/96/46/48/480964648.db2.gz POEBAQRASXOWKV-DOIPELPJSA-N 1 3 344.499 2.825 20 0 EFADHO CC(C)O[C@H](C[NH2+]CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000639136969 480980558 /nfs/dbraw/zinc/98/05/58/480980558.db2.gz RLEGPBPDPAXDAD-LJQANCHMSA-N 1 3 333.520 2.768 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CCN1C ZINC000669184406 480982784 /nfs/dbraw/zinc/98/27/84/480982784.db2.gz YXBJMOMZMQBRGZ-MISYRCLQSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CCN1C ZINC000669184406 480982793 /nfs/dbraw/zinc/98/27/93/480982793.db2.gz YXBJMOMZMQBRGZ-MISYRCLQSA-N 1 3 343.515 2.540 20 0 EFADHO Nc1ncc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000647532566 480985290 /nfs/dbraw/zinc/98/52/90/480985290.db2.gz DDGGQWMLAQLMIN-RDJZCZTQSA-N 1 3 330.501 2.897 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000647542213 480989622 /nfs/dbraw/zinc/98/96/22/480989622.db2.gz ZEVQBIGWCCFGJF-KRWDZBQOSA-N 1 3 340.471 2.907 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543319 480992325 /nfs/dbraw/zinc/99/23/25/480992325.db2.gz KYHOVNIQMZCRSX-HZPDHXFCSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC000647543106 480992496 /nfs/dbraw/zinc/99/24/96/480992496.db2.gz HTTHOQKHZBSHJO-HOTGVXAUSA-N 1 3 332.444 2.636 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc2n1 ZINC000647543507 480993678 /nfs/dbraw/zinc/99/36/78/480993678.db2.gz OLOASCPNMVRFKA-IRXDYDNUSA-N 1 3 327.476 2.558 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543376 480993861 /nfs/dbraw/zinc/99/38/61/480993861.db2.gz LZAVGHQYVBAECC-SJORKVTESA-N 1 3 347.551 2.821 20 0 EFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1OC ZINC000647543339 480994096 /nfs/dbraw/zinc/99/40/96/480994096.db2.gz LFAFIPSQYCVRIR-HZPDHXFCSA-N 1 3 348.487 2.924 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c(C)c2)CC1 ZINC000647547959 480995233 /nfs/dbraw/zinc/99/52/33/480995233.db2.gz OFMYKEMDEQVAPE-GUDVDZBRSA-N 1 3 342.531 2.937 20 0 EFADHO FC(F)(F)COc1ncccc1CN[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549515 480995505 /nfs/dbraw/zinc/99/55/05/480995505.db2.gz FIBFATUDPXRWLA-KWCYVHTRSA-N 1 3 329.366 2.500 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647546191 480995546 /nfs/dbraw/zinc/99/55/46/480995546.db2.gz DETLIURFGXYUEI-XHSDSOJGSA-N 1 3 330.472 2.840 20 0 EFADHO CC[C@@](C)(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160966 481007070 /nfs/dbraw/zinc/00/70/70/481007070.db2.gz ICEXRCRORCCOLB-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@@](C)(CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)OC ZINC000639160966 481007079 /nfs/dbraw/zinc/00/70/79/481007079.db2.gz ICEXRCRORCCOLB-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO CN(CCC(N)=O)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000639165097 481010749 /nfs/dbraw/zinc/01/07/49/481010749.db2.gz CJSZLWPWBVTIEK-HXUWFJFHSA-N 1 3 331.504 2.732 20 0 EFADHO CN(CCC(N)=O)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000639165097 481010759 /nfs/dbraw/zinc/01/07/59/481010759.db2.gz CJSZLWPWBVTIEK-HXUWFJFHSA-N 1 3 331.504 2.732 20 0 EFADHO C[N@H+](CCC(N)=O)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639165097 481010769 /nfs/dbraw/zinc/01/07/69/481010769.db2.gz CJSZLWPWBVTIEK-HXUWFJFHSA-N 1 3 331.504 2.732 20 0 EFADHO C[N@@H+](CCC(N)=O)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000639165097 481010776 /nfs/dbraw/zinc/01/07/76/481010776.db2.gz CJSZLWPWBVTIEK-HXUWFJFHSA-N 1 3 331.504 2.732 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666658624 481013451 /nfs/dbraw/zinc/01/34/51/481013451.db2.gz JQJBJRRTRZLEIK-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666658624 481013459 /nfs/dbraw/zinc/01/34/59/481013459.db2.gz JQJBJRRTRZLEIK-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659919 481015269 /nfs/dbraw/zinc/01/52/69/481015269.db2.gz FVQCUNNXHMNGRJ-SJORKVTESA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659919 481015277 /nfs/dbraw/zinc/01/52/77/481015277.db2.gz FVQCUNNXHMNGRJ-SJORKVTESA-N 1 3 348.535 2.519 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666664028 481019876 /nfs/dbraw/zinc/01/98/76/481019876.db2.gz WHFAKCHLXOQVGG-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO CN1CCC2(CCCN2C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000666664028 481019884 /nfs/dbraw/zinc/01/98/84/481019884.db2.gz WHFAKCHLXOQVGG-QGZVFWFLSA-N 1 3 348.535 2.663 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000646011501 481022885 /nfs/dbraw/zinc/02/28/85/481022885.db2.gz PZMAFLUQRYZESI-RTBURBONSA-N 1 3 329.488 2.885 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000669279371 481030617 /nfs/dbraw/zinc/03/06/17/481030617.db2.gz CMNGSCKFLNJWBF-HZPDHXFCSA-N 1 3 338.521 2.572 20 0 EFADHO CC(CN1CCCC[C@@H]1[C@H](C)CO)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447866 481031720 /nfs/dbraw/zinc/03/17/20/481031720.db2.gz ZPEOVLYRTWYRBV-UAFMIMERSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CCCC[C@@H]1[C@H](C)CO)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447866 481031727 /nfs/dbraw/zinc/03/17/27/481031727.db2.gz ZPEOVLYRTWYRBV-UAFMIMERSA-N 1 3 340.552 2.588 20 0 EFADHO CO[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194499 481036497 /nfs/dbraw/zinc/03/64/97/481036497.db2.gz DRGWNRXUADDHIA-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194499 481036501 /nfs/dbraw/zinc/03/65/01/481036501.db2.gz DRGWNRXUADDHIA-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO CO[C@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000639194499 481036507 /nfs/dbraw/zinc/03/65/07/481036507.db2.gz DRGWNRXUADDHIA-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000639208696 481047675 /nfs/dbraw/zinc/04/76/75/481047675.db2.gz AQOAIYMXNPOMMY-UHFFFAOYSA-N 1 3 346.393 2.752 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641754409 481050477 /nfs/dbraw/zinc/05/04/77/481050477.db2.gz SRMXPWKMJOWNJR-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000639260812 481075847 /nfs/dbraw/zinc/07/58/47/481075847.db2.gz GKELBNTVPGQVEN-GOSISDBHSA-N 1 3 337.552 2.589 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000666754264 481080572 /nfs/dbraw/zinc/08/05/72/481080572.db2.gz JPMMNYBBMQRXCJ-INIZCTEOSA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000666754265 481081076 /nfs/dbraw/zinc/08/10/76/481081076.db2.gz JPMMNYBBMQRXCJ-MRXNPFEDSA-N 1 3 326.529 2.526 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000653106610 481081418 /nfs/dbraw/zinc/08/14/18/481081418.db2.gz FMKIQZPLBYMMQP-VQIMIIECSA-N 1 3 347.503 2.584 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653106869 481083110 /nfs/dbraw/zinc/08/31/10/481083110.db2.gz OTTZOZVMPCWZTC-VQTJNVASSA-N 1 3 341.499 2.819 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653112235 481087333 /nfs/dbraw/zinc/08/73/33/481087333.db2.gz RRNXNYZRVNFGDD-PMACEKPBSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117439 481090310 /nfs/dbraw/zinc/09/03/10/481090310.db2.gz LYDJPOMUWSCWMW-CDHQVMDDSA-N 1 3 341.499 2.859 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@H]1c1cccs1 ZINC000653121923 481092799 /nfs/dbraw/zinc/09/27/99/481092799.db2.gz GWIHKXRDHCYACP-CBZIJGRNSA-N 1 3 347.528 2.778 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653123490 481092986 /nfs/dbraw/zinc/09/29/86/481092986.db2.gz ZXKWOVSBMIOGIL-UXHICEINSA-N 1 3 343.515 2.747 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641812069 481094673 /nfs/dbraw/zinc/09/46/73/481094673.db2.gz FRWLMIKBUGEUBS-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO NCc1cc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc(C(F)(F)F)c1 ZINC000653136648 481102093 /nfs/dbraw/zinc/10/20/93/481102093.db2.gz ZAQSMILVTQXCOF-KGLIPLIRSA-N 1 3 327.350 2.633 20 0 EFADHO C[C@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000641822178 481103474 /nfs/dbraw/zinc/10/34/74/481103474.db2.gz WSMBZXVSDIUHGD-KRWDZBQOSA-N 1 3 336.524 2.544 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669419000 481107868 /nfs/dbraw/zinc/10/78/68/481107868.db2.gz RWJRQLUXHFUHDE-XYVMCAHJSA-N 1 3 333.545 2.998 20 0 EFADHO OCC1CCN(Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647791208 481108246 /nfs/dbraw/zinc/10/82/46/481108246.db2.gz AQPQBDOTBQCRAQ-SVFBPWRDSA-N 1 3 343.515 2.691 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647790244 481108411 /nfs/dbraw/zinc/10/84/11/481108411.db2.gz VBXDUXQTXNOTNF-QKNQBKEWSA-N 1 3 342.531 2.624 20 0 EFADHO Cn1cc([C@H](N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cn1 ZINC000647795055 481109422 /nfs/dbraw/zinc/10/94/22/481109422.db2.gz IPQYWDXDGXKKQT-WTLGNFPFSA-N 1 3 328.435 2.626 20 0 EFADHO CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420789 481109720 /nfs/dbraw/zinc/10/97/20/481109720.db2.gz WWQYUBGBLTUDFR-GOSISDBHSA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420561 481110506 /nfs/dbraw/zinc/11/05/06/481110506.db2.gz PYRJAAWFJUQKHQ-OALUTQOASA-N 1 3 346.519 2.571 20 0 EFADHO [NH3+]C1CCC(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000669420798 481110571 /nfs/dbraw/zinc/11/05/71/481110571.db2.gz XCJKMPTYXRBIGM-CTWPCTMYSA-N 1 3 344.503 2.610 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420459 481110760 /nfs/dbraw/zinc/11/07/60/481110760.db2.gz MLEBTASRGSKNTK-RTBURBONSA-N 1 3 346.519 2.715 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000669479672 481147580 /nfs/dbraw/zinc/14/75/80/481147580.db2.gz FPWRDOKSBPBRMV-DOTOQJQBSA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483738 481150993 /nfs/dbraw/zinc/15/09/93/481150993.db2.gz KNEMDPKJOVUCOM-AOIWGVFYSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H]1NCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)[C@H]1C ZINC000669483966 481152852 /nfs/dbraw/zinc/15/28/52/481152852.db2.gz WBRADOZJHJOWET-JENIJYKNSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[NH2+]CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483891 481153370 /nfs/dbraw/zinc/15/33/70/481153370.db2.gz QTSSCJOUXASDAX-GOSISDBHSA-N 1 3 332.492 2.512 20 0 EFADHO O=C(NC[C@@H]1CCC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483859 481153554 /nfs/dbraw/zinc/15/35/54/481153554.db2.gz PPXYRUYRRKPRID-MJGOQNOKSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000669486829 481155028 /nfs/dbraw/zinc/15/50/28/481155028.db2.gz BVJSVNIWFWHDRW-FUHWJXTLSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]CCCc1cnn(C)c1 ZINC000639360546 481155638 /nfs/dbraw/zinc/15/56/38/481155638.db2.gz XOEXJHQRAUBXMY-YLJYHZDGSA-N 1 3 326.488 2.710 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000669491104 481158662 /nfs/dbraw/zinc/15/86/62/481158662.db2.gz MDORXLSGLXTKKY-MOPGFXCFSA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000669491104 481158665 /nfs/dbraw/zinc/15/86/65/481158665.db2.gz MDORXLSGLXTKKY-MOPGFXCFSA-N 1 3 344.503 2.593 20 0 EFADHO C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H]1CC[NH3+] ZINC000653240427 481172839 /nfs/dbraw/zinc/17/28/39/481172839.db2.gz NRTUNNVGFKBFAV-VQIMIIECSA-N 1 3 329.488 2.872 20 0 EFADHO C[C@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@@H]1CC[NH3+] ZINC000653240426 481172978 /nfs/dbraw/zinc/17/29/78/481172978.db2.gz NRTUNNVGFKBFAV-QFBILLFUSA-N 1 3 329.488 2.872 20 0 EFADHO CCN(C(=O)CC1([NH3+])CCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000646239672 481176991 /nfs/dbraw/zinc/17/69/91/481176991.db2.gz GBIFKTFFZOYQGG-AEFFLSMTSA-N 1 3 329.488 2.942 20 0 EFADHO CC[C@@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000647936840 481194101 /nfs/dbraw/zinc/19/41/01/481194101.db2.gz MCIFKHKYGFRIHL-AEFFLSMTSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1N ZINC000647936840 481194108 /nfs/dbraw/zinc/19/41/08/481194108.db2.gz MCIFKHKYGFRIHL-AEFFLSMTSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1N ZINC000647936840 481194112 /nfs/dbraw/zinc/19/41/12/481194112.db2.gz MCIFKHKYGFRIHL-AEFFLSMTSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@@H]1CN(CCC(=O)N[C@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000647937952 481196744 /nfs/dbraw/zinc/19/67/44/481196744.db2.gz FMYGWTWGVMPGRX-LZQZEXGQSA-N 1 3 329.488 2.630 20 0 EFADHO CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000646278499 481200330 /nfs/dbraw/zinc/20/03/30/481200330.db2.gz ARMIEZNOYVMWCZ-KRWDZBQOSA-N 1 3 335.492 2.980 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636921351 481202397 /nfs/dbraw/zinc/20/23/97/481202397.db2.gz JEMCUGMVWHHYRJ-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000646287898 481206205 /nfs/dbraw/zinc/20/62/05/481206205.db2.gz LUZNYDNSEMAEPT-HXUWFJFHSA-N 1 3 334.504 2.858 20 0 EFADHO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(OCCN(C)C)cc2)C1 ZINC000646287898 481206212 /nfs/dbraw/zinc/20/62/12/481206212.db2.gz LUZNYDNSEMAEPT-HXUWFJFHSA-N 1 3 334.504 2.858 20 0 EFADHO COc1ccc(Br)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000666952347 481216850 /nfs/dbraw/zinc/21/68/50/481216850.db2.gz SGTRKURSKVNSFI-AWEZNQCLSA-N 1 3 325.250 2.689 20 0 EFADHO FC(F)(F)c1ccc(CCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000647966845 481218601 /nfs/dbraw/zinc/21/86/01/481218601.db2.gz ICTWMVCBJGYBOJ-QGZVFWFLSA-N 1 3 341.421 2.618 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](CN2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000647964621 481219393 /nfs/dbraw/zinc/21/93/93/481219393.db2.gz QVWVZNHOEVMJOS-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000647964621 481219396 /nfs/dbraw/zinc/21/93/96/481219396.db2.gz QVWVZNHOEVMJOS-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](CN3CCCC3)C2)C1 ZINC000647964621 481219400 /nfs/dbraw/zinc/21/94/00/481219400.db2.gz QVWVZNHOEVMJOS-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC[C@H]1[NH3+] ZINC000669583452 481225065 /nfs/dbraw/zinc/22/50/65/481225065.db2.gz CZIRTJYHQHGWHQ-PSBWJHGTSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000669583446 481225712 /nfs/dbraw/zinc/22/57/12/481225712.db2.gz CUZJMQKZRSHBPZ-NVXWUHKLSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CCN1Cc1ccccc1 ZINC000669587513 481229030 /nfs/dbraw/zinc/22/90/30/481229030.db2.gz RJCCJJGWVWAYJQ-AEFFLSMTSA-N 1 3 344.503 2.610 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976071 481230368 /nfs/dbraw/zinc/23/03/68/481230368.db2.gz JSNFQHITKZJERG-INDMIFKZSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977120 481232183 /nfs/dbraw/zinc/23/21/83/481232183.db2.gz XYVIOTVPBUOKQA-KZNAEPCWSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977118 481232203 /nfs/dbraw/zinc/23/22/03/481232203.db2.gz XYVIOTVPBUOKQA-FGTMMUONSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CCN1CCCCC1 ZINC000650657192 481243072 /nfs/dbraw/zinc/24/30/72/481243072.db2.gz PLPJLZFMSZODGC-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CCN1CCCCC1 ZINC000650657192 481243076 /nfs/dbraw/zinc/24/30/76/481243076.db2.gz PLPJLZFMSZODGC-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995567 481244379 /nfs/dbraw/zinc/24/43/79/481244379.db2.gz SDQBSZMEIPHIPM-HOCLYGCPSA-N 1 3 331.460 2.677 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCNC3(CCC3)C2)c1 ZINC000666995567 481244390 /nfs/dbraw/zinc/24/43/90/481244390.db2.gz SDQBSZMEIPHIPM-HOCLYGCPSA-N 1 3 331.460 2.677 20 0 EFADHO O[C@@]1(CN2CCC(OCC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639504913 481264135 /nfs/dbraw/zinc/26/41/35/481264135.db2.gz UYVSRQFIUBOVGB-OAQYLSRUSA-N 1 3 344.499 2.514 20 0 EFADHO O[C@@]1(CN2CCC(OCC3CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639504913 481264147 /nfs/dbraw/zinc/26/41/47/481264147.db2.gz UYVSRQFIUBOVGB-OAQYLSRUSA-N 1 3 344.499 2.514 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000667041801 481271878 /nfs/dbraw/zinc/27/18/78/481271878.db2.gz VJDLBEPYHNJNRA-OALUTQOASA-N 1 3 340.471 2.795 20 0 EFADHO CCOc1cc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705780 481272581 /nfs/dbraw/zinc/27/25/81/481272581.db2.gz VTPWWTHVPMRNLG-JENIJYKNSA-N 1 3 348.487 2.812 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000667042257 481273870 /nfs/dbraw/zinc/27/38/70/481273870.db2.gz KEEYSZKUOZXYFG-PMACEKPBSA-N 1 3 325.456 2.953 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650707245 481274600 /nfs/dbraw/zinc/27/46/00/481274600.db2.gz BUOPUIWLUXYDMS-FHWLQOOXSA-N 1 3 346.519 2.645 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cccc4c3OCCCO4)C2)C1 ZINC000650706273 481274739 /nfs/dbraw/zinc/27/47/39/481274739.db2.gz HSNIOLMNDAJVKM-SUMDDJOVSA-N 1 3 346.471 2.566 20 0 EFADHO CCCn1nc(C)c(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1C ZINC000650706171 481275192 /nfs/dbraw/zinc/27/51/92/481275192.db2.gz FQVMGOKSIFJVGN-JENIJYKNSA-N 1 3 334.508 2.628 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC000650706729 481276096 /nfs/dbraw/zinc/27/60/96/481276096.db2.gz ROTBCONUMVJLSI-NLWGTHIKSA-N 1 3 340.471 2.591 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707386 481276846 /nfs/dbraw/zinc/27/68/46/481276846.db2.gz DZEGGMQXFUDTAH-FRQCXROJSA-N 1 3 336.451 2.943 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000650708233 481279300 /nfs/dbraw/zinc/27/93/00/481279300.db2.gz WAAFKZZCNUSJOS-KBRIMQKVSA-N 1 3 346.500 2.857 20 0 EFADHO C[C@H]1CCCN(Cc2ccc(OCc3nccn3C)cc2)[C@H]1CC[NH3+] ZINC000650711337 481280764 /nfs/dbraw/zinc/28/07/64/481280764.db2.gz QBBXUJMDHNQEPD-LPHOPBHVSA-N 1 3 342.487 2.948 20 0 EFADHO COc1cc(C)c(CN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1OC ZINC000667054151 481281187 /nfs/dbraw/zinc/28/11/87/481281187.db2.gz PDAUUAVLHUUIPV-ZWKOTPCHSA-N 1 3 348.487 2.731 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3ccc4cnccc4c3)CC2)C1 ZINC000667054170 481281551 /nfs/dbraw/zinc/28/15/51/481281551.db2.gz SDUHTOIGWDYSAK-VQTJNVASSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000650723707 481293083 /nfs/dbraw/zinc/29/30/83/481293083.db2.gz SDRPVUFNHLVHLL-NZSAHSFTSA-N 1 3 340.471 2.938 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650730214 481297887 /nfs/dbraw/zinc/29/78/87/481297887.db2.gz PYPRONQUKMQZAU-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650730214 481297892 /nfs/dbraw/zinc/29/78/92/481297892.db2.gz PYPRONQUKMQZAU-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659246407 481305798 /nfs/dbraw/zinc/30/57/98/481305798.db2.gz JOSAGIWXGLAVDQ-WBVHZDCISA-N 1 3 327.472 2.600 20 0 EFADHO Cc1cccc2nc(CC[NH2+]C3CCN(c4ccncc4)CC3)cn21 ZINC000648078796 481310661 /nfs/dbraw/zinc/31/06/61/481310661.db2.gz KFXWNUVSOOMDQU-UHFFFAOYSA-N 1 3 335.455 2.839 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC000643100855 481312144 /nfs/dbraw/zinc/31/21/44/481312144.db2.gz IGBDPBNFRGNURH-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CC(=O)N(C)c1ccccc1)NCc1ccc(C[NH3+])cc1F ZINC000650752363 481314649 /nfs/dbraw/zinc/31/46/49/481314649.db2.gz PRULQMUPNNUMMH-AWEZNQCLSA-N 1 3 329.419 2.816 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1C ZINC000659263782 481318105 /nfs/dbraw/zinc/31/81/05/481318105.db2.gz DZCKHYANFGZHPJ-ZTFGCOKTSA-N 1 3 329.488 2.620 20 0 EFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000646472633 481319724 /nfs/dbraw/zinc/31/97/24/481319724.db2.gz ISHYBRISWYRGDM-CJNGLKHVSA-N 1 3 329.444 2.659 20 0 EFADHO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000646483079 481325977 /nfs/dbraw/zinc/32/59/77/481325977.db2.gz ZSDJYLFURASSOV-LPHOPBHVSA-N 1 3 329.488 2.837 20 0 EFADHO CN(C)C1(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000639575741 481329508 /nfs/dbraw/zinc/32/95/08/481329508.db2.gz MODWTGSUMKEGJS-UHFFFAOYSA-N 1 3 344.503 2.931 20 0 EFADHO CCN1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659283645 481334229 /nfs/dbraw/zinc/33/42/29/481334229.db2.gz AIFXAMKMEJXDCX-ROUUACIJSA-N 1 3 329.488 2.622 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc4c(c3)CNCC4)cc21 ZINC000659296634 481345175 /nfs/dbraw/zinc/34/51/75/481345175.db2.gz GZBMLCRAWFXWMV-QGZVFWFLSA-N 1 3 335.451 2.963 20 0 EFADHO N[C@H]1Cc2ccccc2N(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000659326063 481362918 /nfs/dbraw/zinc/36/29/18/481362918.db2.gz WMYDJXJMASNCQX-MSOLQXFVSA-N 1 3 335.451 2.595 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC([C@H]3CCCCO3)CC2)CC1 ZINC000661866747 481377281 /nfs/dbraw/zinc/37/72/81/481377281.db2.gz KHUAWRQCZDZVEO-HXUWFJFHSA-N 1 3 337.552 2.684 20 0 EFADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C)N ZINC000659358373 481380827 /nfs/dbraw/zinc/38/08/27/481380827.db2.gz QGGPOBQNPZCWFU-AWEZNQCLSA-N 1 3 325.884 2.748 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@H](C)CN2CCC(C)CC2)CC1 ZINC000661899117 481402135 /nfs/dbraw/zinc/40/21/35/481402135.db2.gz URVHNTNSENKYBE-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661899413 481403082 /nfs/dbraw/zinc/40/30/82/481403082.db2.gz WTJLZOVOBIPXRF-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)CN2CCC(C)CC2)C1 ZINC000661899413 481403092 /nfs/dbraw/zinc/40/30/92/481403092.db2.gz WTJLZOVOBIPXRF-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000661898249 481403361 /nfs/dbraw/zinc/40/33/61/481403361.db2.gz OCJNNZQRDVCUHA-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683517 481425422 /nfs/dbraw/zinc/42/54/22/481425422.db2.gz ITVQZQCNENGAON-XLIONFOSSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683517 481425430 /nfs/dbraw/zinc/42/54/30/481425430.db2.gz ITVQZQCNENGAON-XLIONFOSSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646664922 481425866 /nfs/dbraw/zinc/42/58/66/481425866.db2.gz BHTCQRHCKAMKRX-ICSRJNTNSA-N 1 3 343.515 2.857 20 0 EFADHO O[C@H](Cc1cccc(Cl)c1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683103 481426910 /nfs/dbraw/zinc/42/69/10/481426910.db2.gz HBNRBUAOINACFU-LJQANCHMSA-N 1 3 345.874 2.851 20 0 EFADHO O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683103 481426917 /nfs/dbraw/zinc/42/69/17/481426917.db2.gz HBNRBUAOINACFU-LJQANCHMSA-N 1 3 345.874 2.851 20 0 EFADHO C[NH+](C)CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000670093773 481428901 /nfs/dbraw/zinc/42/89/01/481428901.db2.gz YVVNWPNGIYNGFU-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccccc1 ZINC000659427711 481430110 /nfs/dbraw/zinc/43/01/10/481430110.db2.gz RWFMEGIJDCHBQS-QGZVFWFLSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[NH+](C)C ZINC000664709295 481431359 /nfs/dbraw/zinc/43/13/59/481431359.db2.gz AXUMCIQIFHUSEX-QFBILLFUSA-N 1 3 346.519 2.536 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000650918789 481439305 /nfs/dbraw/zinc/43/93/05/481439305.db2.gz KZMWGYFUZPTDGY-DLBZAZTESA-N 1 3 338.540 2.813 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1)C1CCCCC1 ZINC000650918789 481439309 /nfs/dbraw/zinc/43/93/09/481439309.db2.gz KZMWGYFUZPTDGY-DLBZAZTESA-N 1 3 338.540 2.813 20 0 EFADHO CC(C)O[C@@H]1CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639719394 481456677 /nfs/dbraw/zinc/45/66/77/481456677.db2.gz DWKJUSQJHLVNJY-UXHICEINSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@@H]1CCCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639719394 481456682 /nfs/dbraw/zinc/45/66/82/481456682.db2.gz DWKJUSQJHLVNJY-UXHICEINSA-N 1 3 332.488 2.513 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000659491161 481466973 /nfs/dbraw/zinc/46/69/73/481466973.db2.gz FKAINKZIXZAHDO-KRWDZBQOSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])N(C)C)cc1 ZINC000659492611 481467983 /nfs/dbraw/zinc/46/79/83/481467983.db2.gz ICJIKMMXTMESBE-GOSISDBHSA-N 1 3 348.535 2.867 20 0 EFADHO COc1ccccc1C(C)(C)CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643457591 481476051 /nfs/dbraw/zinc/47/60/51/481476051.db2.gz PHCUNIRYOCGSEW-BPQIPLTHSA-N 1 3 332.488 2.720 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000643460948 481478327 /nfs/dbraw/zinc/47/83/27/481478327.db2.gz RNGQRHUDPUTNDF-HNAYVOBHSA-N 1 3 338.455 2.812 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000643463845 481479257 /nfs/dbraw/zinc/47/92/57/481479257.db2.gz XEBFBIJOVKGYOC-BZPMIXESSA-N 1 3 347.286 2.711 20 0 EFADHO CCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000637366488 481482889 /nfs/dbraw/zinc/48/28/89/481482889.db2.gz CLXHIVFPDYVGBV-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(CC)C1 ZINC000637366488 481482900 /nfs/dbraw/zinc/48/29/00/481482900.db2.gz CLXHIVFPDYVGBV-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637369537 481487789 /nfs/dbraw/zinc/48/77/89/481487789.db2.gz ZAWCAXMIAMFEPB-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CCN(C)C1 ZINC000637369537 481487795 /nfs/dbraw/zinc/48/77/95/481487795.db2.gz ZAWCAXMIAMFEPB-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372596 481491352 /nfs/dbraw/zinc/49/13/52/481491352.db2.gz LGOGHNWOBHEKIK-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000637372596 481491359 /nfs/dbraw/zinc/49/13/59/481491359.db2.gz LGOGHNWOBHEKIK-NZSAHSFTSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000643543765 481500932 /nfs/dbraw/zinc/50/09/32/481500932.db2.gz PSYRLKIODCFVNP-BEFAXECRSA-N 1 3 336.443 2.793 20 0 EFADHO CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000659573217 481500971 /nfs/dbraw/zinc/50/09/71/481500971.db2.gz MODNHXPTCJOKKP-SFHVURJKSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000643543766 481501429 /nfs/dbraw/zinc/50/14/29/481501429.db2.gz PSYRLKIODCFVNP-DNVCBOLYSA-N 1 3 336.443 2.793 20 0 EFADHO C[C@@H]1CCN(C(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659574753 481501564 /nfs/dbraw/zinc/50/15/64/481501564.db2.gz YHTWBCOBQJUGRV-QGZVFWFLSA-N 1 3 344.503 2.564 20 0 EFADHO Cc1sc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nc1C(C)C ZINC000667367228 481511336 /nfs/dbraw/zinc/51/13/36/481511336.db2.gz GHQFVQFKCIMECE-UHFFFAOYSA-N 1 3 341.525 2.532 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637470749 481549252 /nfs/dbraw/zinc/54/92/52/481549252.db2.gz BZFYBDROSBLIPP-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637478272 481558814 /nfs/dbraw/zinc/55/88/14/481558814.db2.gz ZDNAITCQQZEFPM-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000637478272 481558826 /nfs/dbraw/zinc/55/88/26/481558826.db2.gz ZDNAITCQQZEFPM-AEFFLSMTSA-N 1 3 336.524 2.519 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C[C@@H]1C ZINC000637478380 481559311 /nfs/dbraw/zinc/55/93/11/481559311.db2.gz ZWDVWWBYIQMSFQ-RYQLBKOJSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCN2C2CCCC2)C[C@@H]1C ZINC000637478380 481559313 /nfs/dbraw/zinc/55/93/13/481559313.db2.gz ZWDVWWBYIQMSFQ-RYQLBKOJSA-N 1 3 336.524 2.518 20 0 EFADHO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000662129888 481574518 /nfs/dbraw/zinc/57/45/18/481574518.db2.gz NBBRRTOONZHQRX-ZCTYVAAUSA-N 1 3 329.488 2.668 20 0 EFADHO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000662129888 481574523 /nfs/dbraw/zinc/57/45/23/481574523.db2.gz NBBRRTOONZHQRX-ZCTYVAAUSA-N 1 3 329.488 2.668 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC[C@@H]1[NH3+] ZINC000637518647 481581302 /nfs/dbraw/zinc/58/13/02/481581302.db2.gz OVKRMFZVGWIXHC-JLSDUUJJSA-N 1 3 332.492 2.579 20 0 EFADHO CCCC[N@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659846626 481592173 /nfs/dbraw/zinc/59/21/73/481592173.db2.gz HSFHAFYNKRQIBS-GUDVDZBRSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659846626 481592180 /nfs/dbraw/zinc/59/21/80/481592180.db2.gz HSFHAFYNKRQIBS-GUDVDZBRSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659846483 481593853 /nfs/dbraw/zinc/59/38/53/481593853.db2.gz HSFHAFYNKRQIBS-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659846483 481593862 /nfs/dbraw/zinc/59/38/62/481593862.db2.gz HSFHAFYNKRQIBS-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[NH+](C)C ZINC000665018543 481620927 /nfs/dbraw/zinc/62/09/27/481620927.db2.gz UZLHYHICSDUYSM-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000651228309 481645502 /nfs/dbraw/zinc/64/55/02/481645502.db2.gz OTNOYNPUAVPSOI-IEBWSBKVSA-N 1 3 330.520 2.551 20 0 EFADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000659947366 481660107 /nfs/dbraw/zinc/66/01/07/481660107.db2.gz KXFFEMNYCMKLPZ-WMLDXEAASA-N 1 3 333.501 2.763 20 0 EFADHO CN(CC[C@H]1Sc2ccccc2NC1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000659947366 481660109 /nfs/dbraw/zinc/66/01/09/481660109.db2.gz KXFFEMNYCMKLPZ-WMLDXEAASA-N 1 3 333.501 2.763 20 0 EFADHO COc1ccc(C[N@H+](C[C@H]2CCC3(CNC3)O2)[C@@H](C)C2CC2)cc1 ZINC000662249747 481664732 /nfs/dbraw/zinc/66/47/32/481664732.db2.gz ZHGCLVVHPFFQRA-HNAYVOBHSA-N 1 3 330.472 2.817 20 0 EFADHO COc1ccc(C[N@@H+](C[C@H]2CCC3(CNC3)O2)[C@@H](C)C2CC2)cc1 ZINC000662249747 481664739 /nfs/dbraw/zinc/66/47/39/481664739.db2.gz ZHGCLVVHPFFQRA-HNAYVOBHSA-N 1 3 330.472 2.817 20 0 EFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252347 481665883 /nfs/dbraw/zinc/66/58/83/481665883.db2.gz JJQYTRBWXKOVRK-VQIMIIECSA-N 1 3 343.515 2.849 20 0 EFADHO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252347 481665893 /nfs/dbraw/zinc/66/58/93/481665893.db2.gz JJQYTRBWXKOVRK-VQIMIIECSA-N 1 3 343.515 2.849 20 0 EFADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252158 481666778 /nfs/dbraw/zinc/66/67/78/481666778.db2.gz JJQYTRBWXKOVRK-APWZRJJASA-N 1 3 343.515 2.849 20 0 EFADHO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252158 481666784 /nfs/dbraw/zinc/66/67/84/481666784.db2.gz JJQYTRBWXKOVRK-APWZRJJASA-N 1 3 343.515 2.849 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973122 481675057 /nfs/dbraw/zinc/67/50/57/481675057.db2.gz MDUFQCWONYISMW-SVFBPWRDSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973122 481675059 /nfs/dbraw/zinc/67/50/59/481675059.db2.gz MDUFQCWONYISMW-SVFBPWRDSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973122 481675064 /nfs/dbraw/zinc/67/50/64/481675064.db2.gz MDUFQCWONYISMW-SVFBPWRDSA-N 1 3 345.531 2.550 20 0 EFADHO C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)C[C@H](C)O1 ZINC000659973122 481675066 /nfs/dbraw/zinc/67/50/66/481675066.db2.gz MDUFQCWONYISMW-SVFBPWRDSA-N 1 3 345.531 2.550 20 0 EFADHO C[NH+]1CCC(CC(=O)N(CCN2CCCC2)c2ccccc2)CC1 ZINC000643992641 481676255 /nfs/dbraw/zinc/67/62/55/481676255.db2.gz JUVMMOOGOUFHCU-UHFFFAOYSA-N 1 3 329.488 2.847 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@H]2CO[C@H](C)C2)cc1OC ZINC000647172519 481682007 /nfs/dbraw/zinc/68/20/07/481682007.db2.gz YVORNDAQVIKPDN-NVXWUHKLSA-N 1 3 336.476 2.683 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279508 481686377 /nfs/dbraw/zinc/68/63/77/481686377.db2.gz KRXOYCOVTVZKSJ-RYRKJORJSA-N 1 3 330.472 2.989 20 0 EFADHO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H]1CCC2(CNC2)O1 ZINC000662279508 481686388 /nfs/dbraw/zinc/68/63/88/481686388.db2.gz KRXOYCOVTVZKSJ-RYRKJORJSA-N 1 3 330.472 2.989 20 0 EFADHO CO[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@](C)(CO)C1 ZINC000640004481 481687923 /nfs/dbraw/zinc/68/79/23/481687923.db2.gz MWPRHXQDQRSANN-VQTJNVASSA-N 1 3 332.488 2.644 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290115 481691208 /nfs/dbraw/zinc/69/12/08/481691208.db2.gz KBWHOYNJEGCZDC-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290754 481692801 /nfs/dbraw/zinc/69/28/01/481692801.db2.gz JLWHZUSQJZPPMB-XLIONFOSSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291273 481695449 /nfs/dbraw/zinc/69/54/49/481695449.db2.gz RBRRMPFFNCAIPO-QKLQHJQFSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000647189721 481695571 /nfs/dbraw/zinc/69/55/71/481695571.db2.gz KMVZKTUYTBILMH-PKOBYXMFSA-N 1 3 332.488 2.825 20 0 EFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1cccc(Cl)c1 ZINC000662293733 481697937 /nfs/dbraw/zinc/69/79/37/481697937.db2.gz IMFTWHMTHLZRTI-KRWDZBQOSA-N 1 3 349.906 2.668 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295600 481700833 /nfs/dbraw/zinc/70/08/33/481700833.db2.gz HEPYUPWECAIZRG-QUCCMNQESA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298372 481705045 /nfs/dbraw/zinc/70/50/45/481705045.db2.gz VUSWCIDTXRLSFZ-QKLQHJQFSA-N 1 3 343.515 2.964 20 0 EFADHO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662305794 481710909 /nfs/dbraw/zinc/71/09/09/481710909.db2.gz VOVZGTMZSDHRCC-LUTGFWOYSA-N 1 3 328.456 2.582 20 0 EFADHO c1ccc(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662305794 481710917 /nfs/dbraw/zinc/71/09/17/481710917.db2.gz VOVZGTMZSDHRCC-LUTGFWOYSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313066 481716506 /nfs/dbraw/zinc/71/65/06/481716506.db2.gz HXPOEQNDXITTJF-SOLBZPMBSA-N 1 3 329.488 2.804 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000667658459 481716780 /nfs/dbraw/zinc/71/67/80/481716780.db2.gz HNXFDRJBQRTCPH-NLWGTHIKSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000648754313 481717056 /nfs/dbraw/zinc/71/70/56/481717056.db2.gz ABDWZSJTKFQNEG-RHSMWYFYSA-N 1 3 337.895 2.570 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000648754313 481717064 /nfs/dbraw/zinc/71/70/64/481717064.db2.gz ABDWZSJTKFQNEG-RHSMWYFYSA-N 1 3 337.895 2.570 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000667671110 481725599 /nfs/dbraw/zinc/72/55/99/481725599.db2.gz IFODLXLHVNTWQR-GBESFXJTSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000667671110 481725605 /nfs/dbraw/zinc/72/56/05/481725605.db2.gz IFODLXLHVNTWQR-GBESFXJTSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000667671110 481725611 /nfs/dbraw/zinc/72/56/11/481725611.db2.gz IFODLXLHVNTWQR-GBESFXJTSA-N 1 3 346.519 2.696 20 0 EFADHO c1c(C2CCN(CCc3cccnc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327557 481730327 /nfs/dbraw/zinc/73/03/27/481730327.db2.gz RTTMVNIBFWHMRD-UHFFFAOYSA-N 1 3 339.487 2.694 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667680224 481733004 /nfs/dbraw/zinc/73/30/04/481733004.db2.gz AFLFDRBSWDKCPF-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000667680224 481733011 /nfs/dbraw/zinc/73/30/11/481733011.db2.gz AFLFDRBSWDKCPF-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258722 481754786 /nfs/dbraw/zinc/75/47/86/481754786.db2.gz JZRIGFCKLQEMJU-VHKYSDTDSA-N 1 3 342.462 2.784 20 0 EFADHO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2c(s1)CCNC2 ZINC000662369207 481761578 /nfs/dbraw/zinc/76/15/78/481761578.db2.gz NDYBODWNBMJCTN-UHFFFAOYSA-N 1 3 343.496 2.598 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2cccc(C[NH3+])c2)CN1Cc1ccccc1 ZINC000667726215 481764742 /nfs/dbraw/zinc/76/47/42/481764742.db2.gz OEPAKXDGKOIEIJ-BEFAXECRSA-N 1 3 338.455 2.930 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667726023 481764925 /nfs/dbraw/zinc/76/49/25/481764925.db2.gz ICDXUEZTGNXIFJ-LJQANCHMSA-N 1 3 338.455 2.884 20 0 EFADHO CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667732143 481767128 /nfs/dbraw/zinc/76/71/28/481767128.db2.gz CKXCBVJYIFTNFL-UHFFFAOYSA-N 1 3 332.473 2.803 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000667731622 481767634 /nfs/dbraw/zinc/76/76/34/481767634.db2.gz YGOKSOKIMSFUKA-UHFFFAOYSA-N 1 3 348.516 2.628 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NCC2CCN(c3ccncc3)CC2)c1 ZINC000667736624 481771199 /nfs/dbraw/zinc/77/11/99/481771199.db2.gz LKKDUKPAAHYYJE-UHFFFAOYSA-N 1 3 339.443 2.578 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)[C@H](c1ccccc1)N(C)C ZINC000667736539 481771679 /nfs/dbraw/zinc/77/16/79/481771679.db2.gz HSHVDKFTRPEQTG-KBXCAEBGSA-N 1 3 326.444 2.958 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667736576 481772494 /nfs/dbraw/zinc/77/24/94/481772494.db2.gz JGXWUZXVWDFKCI-HNAYVOBHSA-N 1 3 338.455 2.787 20 0 EFADHO C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000665288957 481772375 /nfs/dbraw/zinc/77/23/75/481772375.db2.gz BSAJUUXTRKBYTE-GDAAHCPNSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H]1CCCNC1 ZINC000665288957 481772383 /nfs/dbraw/zinc/77/23/83/481772383.db2.gz BSAJUUXTRKBYTE-GDAAHCPNSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662382701 481774210 /nfs/dbraw/zinc/77/42/10/481774210.db2.gz ANRBZHGQNOXKCS-MAUKXSAKSA-N 1 3 329.488 2.669 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000665290291 481774497 /nfs/dbraw/zinc/77/44/97/481774497.db2.gz SHICRXPZFMFEKG-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000665290291 481774506 /nfs/dbraw/zinc/77/45/06/481774506.db2.gz SHICRXPZFMFEKG-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN(CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662386567 481777016 /nfs/dbraw/zinc/77/70/16/481777016.db2.gz CQHMGOLJQDMTBP-SFHVURJKSA-N 1 3 329.488 2.527 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743226 481777610 /nfs/dbraw/zinc/77/76/10/481777610.db2.gz INZVWJQHGHDWQV-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000667743226 481777613 /nfs/dbraw/zinc/77/76/13/481777613.db2.gz INZVWJQHGHDWQV-GJZGRUSLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294733 481778485 /nfs/dbraw/zinc/77/84/85/481778485.db2.gz VMJIADMOXQACAA-LSTHTHJFSA-N 1 3 332.488 2.860 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294090 481779269 /nfs/dbraw/zinc/77/92/69/481779269.db2.gz HRQBOPFOEWHQOM-UFYCRDLUSA-N 1 3 332.488 2.989 20 0 EFADHO COc1ccccc1-c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)on1 ZINC000665299912 481780308 /nfs/dbraw/zinc/78/03/08/481780308.db2.gz VHOLXYVXLSNZBQ-SOUVJXGZSA-N 1 3 327.428 2.828 20 0 EFADHO COc1ccccc1-c1cc(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)on1 ZINC000665299910 481781038 /nfs/dbraw/zinc/78/10/38/481781038.db2.gz VHOLXYVXLSNZBQ-RBSFLKMASA-N 1 3 327.428 2.828 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662400776 481786232 /nfs/dbraw/zinc/78/62/32/481786232.db2.gz DZOZLJNCQNBCEW-IBGZPJMESA-N 1 3 329.488 2.800 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662400776 481786241 /nfs/dbraw/zinc/78/62/41/481786241.db2.gz DZOZLJNCQNBCEW-IBGZPJMESA-N 1 3 329.488 2.800 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)c2cc3c(s2)CCNC3)([NH+](C)C)C1 ZINC000662400901 481786454 /nfs/dbraw/zinc/78/64/54/481786454.db2.gz IQHOOGKKMHEWNI-ACJLOTCBSA-N 1 3 335.517 2.634 20 0 EFADHO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000648852769 481788222 /nfs/dbraw/zinc/78/82/22/481788222.db2.gz CHXPSZWPNSDALM-OUUBHVDSSA-N 1 3 341.499 2.531 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000654346737 481807479 /nfs/dbraw/zinc/80/74/79/481807479.db2.gz YFRMVVVZVWIHNN-UHFFFAOYSA-N 1 3 338.540 2.811 20 0 EFADHO CC(C)(CNC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000654351361 481812148 /nfs/dbraw/zinc/81/21/48/481812148.db2.gz ZMRPALMJDPIEBR-SJORKVTESA-N 1 3 336.524 2.567 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@H](N4CCCCC4)C3)cc21 ZINC000662451467 481812817 /nfs/dbraw/zinc/81/28/17/481812817.db2.gz BPCCJNAHXIMHPN-MOPGFXCFSA-N 1 3 341.499 2.766 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662453615 481813705 /nfs/dbraw/zinc/81/37/05/481813705.db2.gz CVAAPBCHYOVUOG-OAHLLOKOSA-N 1 3 329.488 2.920 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CNC3)C1 ZINC000662453615 481813713 /nfs/dbraw/zinc/81/37/13/481813713.db2.gz CVAAPBCHYOVUOG-OAHLLOKOSA-N 1 3 329.488 2.920 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819896 481830016 /nfs/dbraw/zinc/83/00/16/481830016.db2.gz HPQGTONFJSUORL-HKUYNNGSSA-N 1 3 334.504 2.964 20 0 EFADHO CC[N@H+]1CCC[C@@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819896 481830023 /nfs/dbraw/zinc/83/00/23/481830023.db2.gz HPQGTONFJSUORL-HKUYNNGSSA-N 1 3 334.504 2.964 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)[N@@H+]1CCCC[C@H]1C ZINC000654373381 481830312 /nfs/dbraw/zinc/83/03/12/481830312.db2.gz AWYBJWGQHFGHKU-BDXSIMOUSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)[N@H+]1CCCC[C@H]1C ZINC000654373381 481830318 /nfs/dbraw/zinc/83/03/18/481830318.db2.gz AWYBJWGQHFGHKU-BDXSIMOUSA-N 1 3 336.524 2.565 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662479952 481830596 /nfs/dbraw/zinc/83/05/96/481830596.db2.gz NMCGNLVNTFSNGH-TZIWHRDSSA-N 1 3 349.478 2.954 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2NCc3ccccc32)C1 ZINC000662479952 481830602 /nfs/dbraw/zinc/83/06/02/481830602.db2.gz NMCGNLVNTFSNGH-TZIWHRDSSA-N 1 3 349.478 2.954 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000654381489 481837468 /nfs/dbraw/zinc/83/74/68/481837468.db2.gz NLHABXIFCGZTMQ-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000662490721 481837602 /nfs/dbraw/zinc/83/76/02/481837602.db2.gz KOWOHSZSZXZZCQ-LJQANCHMSA-N 1 3 327.472 2.744 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)c1cc2c(s1)CCNC2)CC(C)C ZINC000662494369 481839586 /nfs/dbraw/zinc/83/95/86/481839586.db2.gz YGUVAVKKAKIOGE-OAHLLOKOSA-N 1 3 337.533 2.880 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000662505236 481846134 /nfs/dbraw/zinc/84/61/34/481846134.db2.gz SBFGJJBSQFKEGM-KRWDZBQOSA-N 1 3 337.483 2.727 20 0 EFADHO C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000662587580 481888799 /nfs/dbraw/zinc/88/87/99/481888799.db2.gz HXPYXBXWSFKXHL-ZYSHUDEJSA-N 1 3 329.488 2.561 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000662596480 481892719 /nfs/dbraw/zinc/89/27/19/481892719.db2.gz STBJTOJTTNPIGY-RTBURBONSA-N 1 3 343.515 2.951 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)N(C)C)cc1 ZINC000662662203 481921327 /nfs/dbraw/zinc/92/13/27/481921327.db2.gz BYHISFCIALBPNT-KRWDZBQOSA-N 1 3 329.488 2.630 20 0 EFADHO [NH3+]C1(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC2(CCC2)C1 ZINC000662666503 481923034 /nfs/dbraw/zinc/92/30/34/481923034.db2.gz SXGLGYDDWSQFEI-AWEZNQCLSA-N 1 3 333.501 2.663 20 0 EFADHO NC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC2(CCC2)C1 ZINC000662668769 481924813 /nfs/dbraw/zinc/92/48/13/481924813.db2.gz IKOJZYASGNPJNI-UHFFFAOYSA-N 1 3 327.472 2.560 20 0 EFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000651733580 481924965 /nfs/dbraw/zinc/92/49/65/481924965.db2.gz MOWFOKQQBFVVMM-KSZLIROESA-N 1 3 326.525 2.795 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000662668514 481925000 /nfs/dbraw/zinc/92/50/00/481925000.db2.gz NTZXEBKJPGMBQI-KVSKMBFKSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000662668514 481925005 /nfs/dbraw/zinc/92/50/05/481925005.db2.gz NTZXEBKJPGMBQI-KVSKMBFKSA-N 1 3 329.488 2.846 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2c1CCNC2 ZINC000662670227 481926021 /nfs/dbraw/zinc/92/60/21/481926021.db2.gz VVVXKEQGSBSTQR-UHFFFAOYSA-N 1 3 349.478 2.858 20 0 EFADHO CC(C)[C@@H](CNC(=O)c1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000662678758 481930656 /nfs/dbraw/zinc/93/06/56/481930656.db2.gz IDSLHDVWRXHKGB-HXUWFJFHSA-N 1 3 343.515 2.819 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCCCCC1 ZINC000649102120 481931547 /nfs/dbraw/zinc/93/15/47/481931547.db2.gz VBJYSYOPKKTGJN-RLLQIKCJSA-N 1 3 343.515 2.713 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCCCCC1 ZINC000649102120 481931553 /nfs/dbraw/zinc/93/15/53/481931553.db2.gz VBJYSYOPKKTGJN-RLLQIKCJSA-N 1 3 343.515 2.713 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556676 481935347 /nfs/dbraw/zinc/93/53/47/481935347.db2.gz AYPFFUJHVZNHRE-QGZVFWFLSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556676 481935352 /nfs/dbraw/zinc/93/53/52/481935352.db2.gz AYPFFUJHVZNHRE-QGZVFWFLSA-N 1 3 338.540 2.621 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660404900 481939617 /nfs/dbraw/zinc/93/96/17/481939617.db2.gz RESKBAGGXKFVQA-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000660404900 481939621 /nfs/dbraw/zinc/93/96/21/481939621.db2.gz RESKBAGGXKFVQA-KSZLIROESA-N 1 3 338.540 2.528 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCC2(C)C)N2CCCC2)cc1 ZINC000662701682 481940827 /nfs/dbraw/zinc/94/08/27/481940827.db2.gz SJTYAALGNYIWJU-QZTJIDSGSA-N 1 3 329.488 2.636 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000654574400 481942728 /nfs/dbraw/zinc/94/27/28/481942728.db2.gz MFLQFXSOYVLLET-MSOLQXFVSA-N 1 3 336.524 2.569 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654574403 481943025 /nfs/dbraw/zinc/94/30/25/481943025.db2.gz MFLQFXSOYVLLET-ZWKOTPCHSA-N 1 3 336.524 2.569 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720602 481948312 /nfs/dbraw/zinc/94/83/12/481948312.db2.gz BIYNRTOXCMLJHH-QAPCUYQASA-N 1 3 329.488 2.716 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc3c2CNC3)c1 ZINC000662731008 481952625 /nfs/dbraw/zinc/95/26/25/481952625.db2.gz WIEPVEFGRTUONS-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO CN(Cc1cccc2c1CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651808372 481959365 /nfs/dbraw/zinc/95/93/65/481959365.db2.gz OPIRBSZQXCRXOC-FQEVSTJZSA-N 1 3 327.516 2.776 20 0 EFADHO CN(Cc1cccc2c1CCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000651808372 481959371 /nfs/dbraw/zinc/95/93/71/481959371.db2.gz OPIRBSZQXCRXOC-FQEVSTJZSA-N 1 3 327.516 2.776 20 0 EFADHO CC[C@@H](N)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000662759557 481961971 /nfs/dbraw/zinc/96/19/71/481961971.db2.gz SZRYBQIOJSBOPC-RTBURBONSA-N 1 3 343.515 2.873 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000660449613 481965531 /nfs/dbraw/zinc/96/55/31/481965531.db2.gz LVGXLHOAZMIUJA-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000660449613 481965536 /nfs/dbraw/zinc/96/55/36/481965536.db2.gz LVGXLHOAZMIUJA-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(N)CC2(CCC2)C1 ZINC000662788529 481969982 /nfs/dbraw/zinc/96/99/82/481969982.db2.gz LDSKSJPFAJPNAR-UHFFFAOYSA-N 1 3 329.488 2.758 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)c2)CC1 ZINC000662803038 481977106 /nfs/dbraw/zinc/97/71/06/481977106.db2.gz UKKMWNDBTHCRLH-GOSISDBHSA-N 1 3 344.503 2.544 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N[C@H]3CCCN4CCCC[C@H]34)cc21 ZINC000662836095 481990188 /nfs/dbraw/zinc/99/01/88/481990188.db2.gz VOXSFLCWOIGQNF-YSIASYRMSA-N 1 3 341.499 2.812 20 0 EFADHO COc1cc2nccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000665691540 482000435 /nfs/dbraw/zinc/00/04/35/482000435.db2.gz DMHIWSKEAMGKKG-ZDUSSCGKSA-N 1 3 327.428 2.570 20 0 EFADHO COc1cc2nccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2cc1OC ZINC000665691540 482000441 /nfs/dbraw/zinc/00/04/41/482000441.db2.gz DMHIWSKEAMGKKG-ZDUSSCGKSA-N 1 3 327.428 2.570 20 0 EFADHO CCc1ccc2nccc(N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000649268006 482003931 /nfs/dbraw/zinc/00/39/31/482003931.db2.gz RGAGGQGBCVLTGY-PMACEKPBSA-N 1 3 325.456 2.833 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cc2ccncc2s1 ZINC000668157783 482005310 /nfs/dbraw/zinc/00/53/10/482005310.db2.gz ABQJCXMRTNKTBI-UHFFFAOYSA-N 1 3 332.517 2.754 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc2ccncc2s1 ZINC000668157783 482005314 /nfs/dbraw/zinc/00/53/14/482005314.db2.gz ABQJCXMRTNKTBI-UHFFFAOYSA-N 1 3 332.517 2.754 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C3CC3)CC2)CC1 ZINC000654705529 482005445 /nfs/dbraw/zinc/00/54/45/482005445.db2.gz KNLUKTKCHZZDKD-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000654705530 482005622 /nfs/dbraw/zinc/00/56/22/482005622.db2.gz KNLUKTKCHZZDKD-LJQANCHMSA-N 1 3 333.520 2.584 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000654727076 482016484 /nfs/dbraw/zinc/01/64/84/482016484.db2.gz FOMZEHHFUUTHRI-QRVBRYPASA-N 1 3 348.535 2.663 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727463 482017069 /nfs/dbraw/zinc/01/70/69/482017069.db2.gz NPYONLOSRUVXIT-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000662973062 482021346 /nfs/dbraw/zinc/02/13/46/482021346.db2.gz VFEWRHCEOIXHAF-LJQANCHMSA-N 1 3 343.515 2.951 20 0 EFADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000662973283 482021761 /nfs/dbraw/zinc/02/17/61/482021761.db2.gz YAGNKVZCWGQHHN-BEFAXECRSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000665758011 482037405 /nfs/dbraw/zinc/03/74/05/482037405.db2.gz JJTMZTKIBVJUBC-VVLHAWIVSA-N 1 3 345.487 2.604 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCCCC1 ZINC000649364157 482042681 /nfs/dbraw/zinc/04/26/81/482042681.db2.gz YSTBQJOCPINVGP-IPMKNSEASA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)N1CCCCC1 ZINC000649368373 482044389 /nfs/dbraw/zinc/04/43/89/482044389.db2.gz IHTILMCLGUWFMG-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(CN2CCCC2)c1 ZINC000649370153 482045740 /nfs/dbraw/zinc/04/57/40/482045740.db2.gz GERATDGANZJDTI-GOSISDBHSA-N 1 3 327.472 2.687 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CC[C@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638289 482062838 /nfs/dbraw/zinc/06/28/38/482062838.db2.gz BLMYDRUHQQGTSI-IEBWSBKVSA-N 1 3 345.512 2.907 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CC[C@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638289 482062839 /nfs/dbraw/zinc/06/28/39/482062839.db2.gz BLMYDRUHQQGTSI-IEBWSBKVSA-N 1 3 345.512 2.907 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CC[C@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638291 482063384 /nfs/dbraw/zinc/06/33/84/482063384.db2.gz BLMYDRUHQQGTSI-MJGOQNOKSA-N 1 3 345.512 2.907 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CC[C@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638291 482063389 /nfs/dbraw/zinc/06/33/89/482063389.db2.gz BLMYDRUHQQGTSI-MJGOQNOKSA-N 1 3 345.512 2.907 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](n3ccnc3C)C2)cc1 ZINC000649413196 482066365 /nfs/dbraw/zinc/06/63/65/482066365.db2.gz PBDFBXGQGIEIHQ-QZTJIDSGSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](n3ccnc3C)C2)cc1 ZINC000649413196 482066368 /nfs/dbraw/zinc/06/63/68/482066368.db2.gz PBDFBXGQGIEIHQ-QZTJIDSGSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413036 482066653 /nfs/dbraw/zinc/06/66/53/482066653.db2.gz IUSJQRYTDPYTMD-RBUKOAKNSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413036 482066654 /nfs/dbraw/zinc/06/66/54/482066654.db2.gz IUSJQRYTDPYTMD-RBUKOAKNSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413036 482066655 /nfs/dbraw/zinc/06/66/55/482066655.db2.gz IUSJQRYTDPYTMD-RBUKOAKNSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414661 482068851 /nfs/dbraw/zinc/06/88/51/482068851.db2.gz PNGZXCSJKQIBAD-QFBILLFUSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414661 482068856 /nfs/dbraw/zinc/06/88/56/482068856.db2.gz PNGZXCSJKQIBAD-QFBILLFUSA-N 1 3 328.460 2.617 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000649414661 482068858 /nfs/dbraw/zinc/06/88/58/482068858.db2.gz PNGZXCSJKQIBAD-QFBILLFUSA-N 1 3 328.460 2.617 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664762 482083683 /nfs/dbraw/zinc/08/36/83/482083683.db2.gz SNQMMOZBBWXOMO-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664762 482083689 /nfs/dbraw/zinc/08/36/89/482083689.db2.gz SNQMMOZBBWXOMO-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000652220244 482130881 /nfs/dbraw/zinc/13/08/81/482130881.db2.gz ZIIJJYAHPIFMLT-SFHVURJKSA-N 1 3 332.492 2.594 20 0 EFADHO CCCCCN(CCNC(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000652228351 482134916 /nfs/dbraw/zinc/13/49/16/482134916.db2.gz CHHRVLFCSBMLDF-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[C@@H]1[NH3+] ZINC000668490947 482142424 /nfs/dbraw/zinc/14/24/24/482142424.db2.gz QBVQQMATBLAPPZ-NEWSRXKRSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CC1 ZINC000668490988 482142487 /nfs/dbraw/zinc/14/24/87/482142487.db2.gz YRIJYVMFGWGKGV-QFBILLFUSA-N 1 3 344.503 2.592 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000660785137 482144104 /nfs/dbraw/zinc/14/41/04/482144104.db2.gz KQDRPHJHQRGRGO-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000660785137 482144108 /nfs/dbraw/zinc/14/41/08/482144108.db2.gz KQDRPHJHQRGRGO-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000660785139 482144628 /nfs/dbraw/zinc/14/46/28/482144628.db2.gz KQDRPHJHQRGRGO-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000660785139 482144633 /nfs/dbraw/zinc/14/46/33/482144633.db2.gz KQDRPHJHQRGRGO-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3ccn(C)c(=O)c3)C2)s1 ZINC000649604581 482150203 /nfs/dbraw/zinc/15/02/03/482150203.db2.gz NFWMGIOEKJWZCK-KRWDZBQOSA-N 1 3 345.512 2.709 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccn(C)c(=O)c3)C2)s1 ZINC000649604581 482150206 /nfs/dbraw/zinc/15/02/06/482150206.db2.gz NFWMGIOEKJWZCK-KRWDZBQOSA-N 1 3 345.512 2.709 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668540231 482159112 /nfs/dbraw/zinc/15/91/12/482159112.db2.gz AIOLCAIWHXIVNQ-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668540231 482159115 /nfs/dbraw/zinc/15/91/15/482159115.db2.gz AIOLCAIWHXIVNQ-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)CCOc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663347512 482173754 /nfs/dbraw/zinc/17/37/54/482173754.db2.gz MTGNFRZCFIDPFB-HXUWFJFHSA-N 1 3 345.531 2.839 20 0 EFADHO CN(C)CCOc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347512 482173759 /nfs/dbraw/zinc/17/37/59/482173759.db2.gz MTGNFRZCFIDPFB-HXUWFJFHSA-N 1 3 345.531 2.839 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668575692 482174557 /nfs/dbraw/zinc/17/45/57/482174557.db2.gz NHHMJDBOBMHJIP-WOJBJXKFSA-N 1 3 343.515 2.857 20 0 EFADHO C[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCN ZINC000652353788 482187947 /nfs/dbraw/zinc/18/79/47/482187947.db2.gz CZHNDXUBLANCTO-WMLDXEAASA-N 1 3 337.895 2.796 20 0 EFADHO C[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCN ZINC000652353788 482187952 /nfs/dbraw/zinc/18/79/52/482187952.db2.gz CZHNDXUBLANCTO-WMLDXEAASA-N 1 3 337.895 2.796 20 0 EFADHO C[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000652353788 482187956 /nfs/dbraw/zinc/18/79/56/482187956.db2.gz CZHNDXUBLANCTO-WMLDXEAASA-N 1 3 337.895 2.796 20 0 EFADHO CC(C)N(C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000660902083 482208960 /nfs/dbraw/zinc/20/89/60/482208960.db2.gz JDJFMCFUGMSALR-SFTDATJTSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)N(C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000660902083 482208966 /nfs/dbraw/zinc/20/89/66/482208966.db2.gz JDJFMCFUGMSALR-SFTDATJTSA-N 1 3 347.547 2.672 20 0 EFADHO FC(F)(F)COCCCN1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663422113 482224383 /nfs/dbraw/zinc/22/43/83/482224383.db2.gz FAKOBTGEHRYICO-UHFFFAOYSA-N 1 3 342.365 2.654 20 0 EFADHO c1cc2c(cc[nH+]c2NCCCN2CCN(c3ccncc3)CC2)[nH]1 ZINC000663485607 482261415 /nfs/dbraw/zinc/26/14/15/482261415.db2.gz VHXOBHSFBBRPQV-UHFFFAOYSA-N 1 3 336.443 2.582 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000660991649 482262949 /nfs/dbraw/zinc/26/29/49/482262949.db2.gz MWKFDCNIXACRPM-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000660991649 482262957 /nfs/dbraw/zinc/26/29/57/482262957.db2.gz MWKFDCNIXACRPM-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000655352077 482279698 /nfs/dbraw/zinc/27/96/98/482279698.db2.gz WHGKYZNWEPUDQU-GUDVDZBRSA-N 1 3 329.488 2.813 20 0 EFADHO CN1CCN(CC[N@H+](C)Cc2ccccc2)[C@H](Cc2ccccc2)C1 ZINC000649827407 482282145 /nfs/dbraw/zinc/28/21/45/482282145.db2.gz NPJQSXBUJFEUOL-JOCHJYFZSA-N 1 3 337.511 2.977 20 0 EFADHO CN1CCN(CC[N@@H+](C)Cc2ccccc2)[C@H](Cc2ccccc2)C1 ZINC000649827407 482282148 /nfs/dbraw/zinc/28/21/48/482282148.db2.gz NPJQSXBUJFEUOL-JOCHJYFZSA-N 1 3 337.511 2.977 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661072301 482308225 /nfs/dbraw/zinc/30/82/25/482308225.db2.gz XJYDLRHLPSCTSF-APWZRJJASA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661072301 482308227 /nfs/dbraw/zinc/30/82/27/482308227.db2.gz XJYDLRHLPSCTSF-APWZRJJASA-N 1 3 348.535 2.710 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595924 482314617 /nfs/dbraw/zinc/31/46/17/482314617.db2.gz MRLWWTGGURDPQO-QGZVFWFLSA-N 1 3 330.476 2.650 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595924 482314623 /nfs/dbraw/zinc/31/46/23/482314623.db2.gz MRLWWTGGURDPQO-QGZVFWFLSA-N 1 3 330.476 2.650 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663595926 482314996 /nfs/dbraw/zinc/31/49/96/482314996.db2.gz MROOWPBCLABXRO-MRXNPFEDSA-N 1 3 330.476 2.650 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663595926 482314999 /nfs/dbraw/zinc/31/49/99/482314999.db2.gz MROOWPBCLABXRO-MRXNPFEDSA-N 1 3 330.476 2.650 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccsc1 ZINC000663621244 482324248 /nfs/dbraw/zinc/32/42/48/482324248.db2.gz UJDPCVBQQGTEQX-HOCLYGCPSA-N 1 3 340.537 2.770 20 0 EFADHO c1cn(C[C@H]2CC[N@H+](Cc3cccc(CN4CCCCC4)c3)C2)nn1 ZINC000661143154 482341637 /nfs/dbraw/zinc/34/16/37/482341637.db2.gz SQSLHNYFALWZBH-FQEVSTJZSA-N 1 3 339.487 2.786 20 0 EFADHO c1cn(C[C@H]2CC[N@@H+](Cc3cccc(CN4CCCCC4)c3)C2)nn1 ZINC000661143154 482341642 /nfs/dbraw/zinc/34/16/42/482341642.db2.gz SQSLHNYFALWZBH-FQEVSTJZSA-N 1 3 339.487 2.786 20 0 EFADHO c1cn(C[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000661143154 482341645 /nfs/dbraw/zinc/34/16/45/482341645.db2.gz SQSLHNYFALWZBH-FQEVSTJZSA-N 1 3 339.487 2.786 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000661241617 482387778 /nfs/dbraw/zinc/38/77/78/482387778.db2.gz CTANGUHEDUYYRT-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[NH+](C)C ZINC000663846782 482405162 /nfs/dbraw/zinc/40/51/62/482405162.db2.gz LGEWGKXWHIWNMP-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000129992084 533785111 /nfs/dbraw/zinc/78/51/11/533785111.db2.gz URNSRCCUVKBSTC-IRXDYDNUSA-N 1 3 346.519 2.709 20 0 EFADHO COc1cc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000177840648 533892057 /nfs/dbraw/zinc/89/20/57/533892057.db2.gz RJWBLDTVJPISRM-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000167791637 534103304 /nfs/dbraw/zinc/10/33/04/534103304.db2.gz QJMGQUGGMDWJPT-INIZCTEOSA-N 1 3 329.488 2.847 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000154508211 534333242 /nfs/dbraw/zinc/33/32/42/534333242.db2.gz WDPDRERXEUXNIV-UHFFFAOYSA-N 1 3 329.488 2.501 20 0 EFADHO CC(C)CC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCC1 ZINC000158072612 519621439 /nfs/dbraw/zinc/62/14/39/519621439.db2.gz PTSBWJBLEDFNDP-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000151997989 519839387 /nfs/dbraw/zinc/83/93/87/519839387.db2.gz UINALOBJKSBUAG-KXBFYZLASA-N 1 3 331.504 2.952 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCC2 ZINC000181493488 520423759 /nfs/dbraw/zinc/42/37/59/520423759.db2.gz NKJSFLPIZGDRND-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C12CCCCC2 ZINC000181492395 520424260 /nfs/dbraw/zinc/42/42/60/520424260.db2.gz VLFYUSJBXRKRJX-RBUKOAKNSA-N 1 3 337.552 2.732 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000178160346 534495611 /nfs/dbraw/zinc/49/56/11/534495611.db2.gz ZSPQOKFOUYRZNM-UHFFFAOYSA-N 1 3 329.488 2.525 20 0 EFADHO CC[NH+](CC)CCNC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077750998 520673019 /nfs/dbraw/zinc/67/30/19/520673019.db2.gz ZWAADNQOWQDYGN-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO CCN(CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CC1 ZINC000177488559 521056647 /nfs/dbraw/zinc/05/66/47/521056647.db2.gz OQQWIKFTNZUSLO-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000236814324 521072879 /nfs/dbraw/zinc/07/28/79/521072879.db2.gz HGUYMOJCEHWREZ-CQSZACIVSA-N 1 3 327.856 2.736 20 0 EFADHO CCCC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236760905 521202461 /nfs/dbraw/zinc/20/24/61/521202461.db2.gz ZQVCOSYNCYGGBB-MOPGFXCFSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236760905 521202470 /nfs/dbraw/zinc/20/24/70/521202470.db2.gz ZQVCOSYNCYGGBB-MOPGFXCFSA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236760974 521204830 /nfs/dbraw/zinc/20/48/30/521204830.db2.gz ZQVCOSYNCYGGBB-OALUTQOASA-N 1 3 331.504 2.875 20 0 EFADHO CCCC[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236760974 521204842 /nfs/dbraw/zinc/20/48/42/521204842.db2.gz ZQVCOSYNCYGGBB-OALUTQOASA-N 1 3 331.504 2.875 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000195010346 521476838 /nfs/dbraw/zinc/47/68/38/521476838.db2.gz ZVWRSYMXJFNQCQ-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCCN(C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000195010346 521476849 /nfs/dbraw/zinc/47/68/49/521476849.db2.gz ZVWRSYMXJFNQCQ-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCCN(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000069090881 521477025 /nfs/dbraw/zinc/47/70/25/521477025.db2.gz HWCZCBJJYZFWSM-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CCCN(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000069090881 521477032 /nfs/dbraw/zinc/47/70/32/521477032.db2.gz HWCZCBJJYZFWSM-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246053256 521637557 /nfs/dbraw/zinc/63/75/57/521637557.db2.gz DQFIRRGIVNYUED-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246053256 521637561 /nfs/dbraw/zinc/63/75/61/521637561.db2.gz DQFIRRGIVNYUED-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccn2CCC(C)C)CC1 ZINC000119068965 521684561 /nfs/dbraw/zinc/68/45/61/521684561.db2.gz COEQMQLTQVRONY-IBGZPJMESA-N 1 3 334.552 2.897 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000119790786 521700224 /nfs/dbraw/zinc/70/02/24/521700224.db2.gz KKPJWDNVHLSUPJ-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000119790786 521700225 /nfs/dbraw/zinc/70/02/25/521700225.db2.gz KKPJWDNVHLSUPJ-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](CC)N2CCCC2)[C@@H](C)C1 ZINC000151674800 521706626 /nfs/dbraw/zinc/70/66/26/521706626.db2.gz ODXZTERVEQVFLZ-IPMKNSEASA-N 1 3 325.541 2.587 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)[C@H](C)C1 ZINC000153717611 521708401 /nfs/dbraw/zinc/70/84/01/521708401.db2.gz RQAFUYCLOLJHKA-GGPKGHCWSA-N 1 3 337.552 2.730 20 0 EFADHO CCN1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000037644440 521710642 /nfs/dbraw/zinc/71/06/42/521710642.db2.gz ZMZNLCMCHDUVPG-ZDUSSCGKSA-N 1 3 327.266 2.889 20 0 EFADHO [NH3+]CC1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000166203196 534586769 /nfs/dbraw/zinc/58/67/69/534586769.db2.gz ZYMAAVLNIFZAMQ-HNNXBMFYSA-N 1 3 335.517 2.595 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000195519161 521778909 /nfs/dbraw/zinc/77/89/09/521778909.db2.gz LLPIBTJGPHMTIX-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO CCc1ccccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195341116 521892280 /nfs/dbraw/zinc/89/22/80/521892280.db2.gz QNUNUOIZRIYOAF-UHFFFAOYSA-N 1 3 344.503 2.929 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000081290881 521898076 /nfs/dbraw/zinc/89/80/76/521898076.db2.gz DUDNEHQCVUBKPN-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000081290881 521898085 /nfs/dbraw/zinc/89/80/85/521898085.db2.gz DUDNEHQCVUBKPN-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000078555399 521925158 /nfs/dbraw/zinc/92/51/58/521925158.db2.gz ROGTZCWPFGJEEG-UHFFFAOYSA-N 1 3 346.519 2.857 20 0 EFADHO CCc1nc2c(s1)[C@H]([NH2+]CCCN1CCN(CC)CC1)CCC2 ZINC000154274976 522478044 /nfs/dbraw/zinc/47/80/44/522478044.db2.gz KCBDEXBYJDCTBI-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@H]1CCC[C@@H](CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000154072322 524131125 /nfs/dbraw/zinc/13/11/25/524131125.db2.gz KKHHMHVQNMMNLT-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000120641442 524182771 /nfs/dbraw/zinc/18/27/71/524182771.db2.gz YNQKEZCULIQHIW-KURKYZTESA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000152205496 524220890 /nfs/dbraw/zinc/22/08/90/524220890.db2.gz FHJINMDAFVEOLL-QFBILLFUSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245634529 524295530 /nfs/dbraw/zinc/29/55/30/524295530.db2.gz BNTGLPOCCKKFLX-BHIYHBOVSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000156366431 524466656 /nfs/dbraw/zinc/46/66/56/524466656.db2.gz MYDIWYZNVQRXEQ-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000156366431 524466663 /nfs/dbraw/zinc/46/66/63/524466663.db2.gz MYDIWYZNVQRXEQ-QGZVFWFLSA-N 1 3 339.483 2.999 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524028 524536951 /nfs/dbraw/zinc/53/69/51/524536951.db2.gz ZEDRRRCJLDYWGX-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000192760347 524852641 /nfs/dbraw/zinc/85/26/41/524852641.db2.gz VRXMGVNNCVVGSB-FQEVSTJZSA-N 1 3 330.520 2.943 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2CCN(C(C)C)CC2)n1 ZINC000192760347 524852652 /nfs/dbraw/zinc/85/26/52/524852652.db2.gz VRXMGVNNCVVGSB-FQEVSTJZSA-N 1 3 330.520 2.943 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1C1CC1 ZINC000177733414 524912127 /nfs/dbraw/zinc/91/21/27/524912127.db2.gz QMHHKHQQYMKQEC-YJBOKZPZSA-N 1 3 348.535 2.565 20 0 EFADHO Cc1ccc(NC(=O)C2CC[NH+](CCCN3CCCCC3)CC2)nc1 ZINC000193477566 525026661 /nfs/dbraw/zinc/02/66/61/525026661.db2.gz FUKFEIJYQIUMAZ-UHFFFAOYSA-N 1 3 344.503 2.917 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182709093 525096250 /nfs/dbraw/zinc/09/62/50/525096250.db2.gz ZSWJDFORNMQZOL-MWDXBVQZSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182709093 525096257 /nfs/dbraw/zinc/09/62/57/525096257.db2.gz ZSWJDFORNMQZOL-MWDXBVQZSA-N 1 3 348.535 2.564 20 0 EFADHO C[C@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237562057 525207233 /nfs/dbraw/zinc/20/72/33/525207233.db2.gz IMOUKCGYLULBAJ-ICSRJNTNSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]C1 ZINC000119889447 525212194 /nfs/dbraw/zinc/21/21/94/525212194.db2.gz HQHKOVDCYOMRHD-FQEVSTJZSA-N 1 3 329.488 2.678 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000263133391 525285260 /nfs/dbraw/zinc/28/52/60/525285260.db2.gz BWHHSJMBTNDTJK-AYBZRNKSSA-N 1 3 349.544 2.984 20 0 EFADHO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000178620027 534849982 /nfs/dbraw/zinc/84/99/82/534849982.db2.gz JOFMTLVOZGQNGL-LPHOPBHVSA-N 1 3 326.488 2.944 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000071925384 525381010 /nfs/dbraw/zinc/38/10/10/525381010.db2.gz QKVWCQCCQYJDGN-HDICACEKSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCN2CCCCC2)C1 ZINC000071925384 525381016 /nfs/dbraw/zinc/38/10/16/525381016.db2.gz QKVWCQCCQYJDGN-HDICACEKSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000133150243 525402187 /nfs/dbraw/zinc/40/21/87/525402187.db2.gz UTXMXLOHKBJNJI-CABCVRRESA-N 1 3 332.444 2.567 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CN1Cc1ccccc1 ZINC000263018386 525431877 /nfs/dbraw/zinc/43/18/77/525431877.db2.gz QPHNLDOIWNFINO-HYJFEMIMSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000263267156 525864606 /nfs/dbraw/zinc/86/46/06/525864606.db2.gz RRLIUNVGOBMPNF-IEBWSBKVSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519316 526079395 /nfs/dbraw/zinc/07/93/95/526079395.db2.gz VCSKRWIOUNVGGW-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000237480997 526090239 /nfs/dbraw/zinc/09/02/39/526090239.db2.gz HBEFQJKBCCQLRY-INIZCTEOSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237481849 526094047 /nfs/dbraw/zinc/09/40/47/526094047.db2.gz ZODRUDWXLFRLAO-OXJNMPFZSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000245890788 526252430 /nfs/dbraw/zinc/25/24/30/526252430.db2.gz CEUIREUZFLYQET-PMPSAXMXSA-N 1 3 328.497 2.586 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000245890782 526252910 /nfs/dbraw/zinc/25/29/10/526252910.db2.gz CEUIREUZFLYQET-OAGGEKHMSA-N 1 3 328.497 2.586 20 0 EFADHO O=C(CN1CCC[C@@H]1C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000363385050 526752265 /nfs/dbraw/zinc/75/22/65/526752265.db2.gz SYAQJHBKDDLBEE-HXUWFJFHSA-N 1 3 341.499 2.773 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2ccncc2OCCN(C)C)cc1 ZINC000343919304 536503334 /nfs/dbraw/zinc/50/33/34/536503334.db2.gz CCOLNGLALICHCA-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO O=C(NCCC[NH+]1CCCCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000120303223 527663929 /nfs/dbraw/zinc/66/39/29/527663929.db2.gz DAZYYMIOERHUJL-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO CC(C)OC(=O)CC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177499651 527779678 /nfs/dbraw/zinc/77/96/78/527779678.db2.gz VCLHGFJZCFQXQP-IRXDYDNUSA-N 1 3 340.508 2.539 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000414097577 536525230 /nfs/dbraw/zinc/52/52/30/536525230.db2.gz PKIDYINBEFFFEP-INIZCTEOSA-N 1 3 340.471 2.922 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2CCCN(C)CC2)cc1 ZINC000181593898 528152380 /nfs/dbraw/zinc/15/23/80/528152380.db2.gz SPGMFVBBUUODPI-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO CC(C)N1CC[C@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000175163281 529077580 /nfs/dbraw/zinc/07/75/80/529077580.db2.gz FJYJEQKLRTXFLP-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000175163281 529077581 /nfs/dbraw/zinc/07/75/81/529077581.db2.gz FJYJEQKLRTXFLP-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)nc1C ZINC000176738180 529099372 /nfs/dbraw/zinc/09/93/72/529099372.db2.gz UIJSOYMXRZYHGC-KRWDZBQOSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(C)nc1C ZINC000176738180 529099375 /nfs/dbraw/zinc/09/93/75/529099375.db2.gz UIJSOYMXRZYHGC-KRWDZBQOSA-N 1 3 347.507 2.578 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154291132 529144769 /nfs/dbraw/zinc/14/47/69/529144769.db2.gz YMMLQEORADNXPL-QZTJIDSGSA-N 1 3 333.520 2.804 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154321749 529145043 /nfs/dbraw/zinc/14/50/43/529145043.db2.gz FVKQEISHGNCNDW-NRFANRHFSA-N 1 3 329.532 2.933 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000154215728 529145337 /nfs/dbraw/zinc/14/53/37/529145337.db2.gz ORWXSFKZTGFGNV-KRWDZBQOSA-N 1 3 337.508 2.980 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)CC1 ZINC000154335045 529145443 /nfs/dbraw/zinc/14/54/43/529145443.db2.gz CLNDPJLUVDJUDW-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000129791296 529149487 /nfs/dbraw/zinc/14/94/87/529149487.db2.gz SEEKUQVXKZDNSE-GHTZIAJQSA-N 1 3 344.547 2.966 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000129791296 529149488 /nfs/dbraw/zinc/14/94/88/529149488.db2.gz SEEKUQVXKZDNSE-GHTZIAJQSA-N 1 3 344.547 2.966 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000167309484 529248629 /nfs/dbraw/zinc/24/86/29/529248629.db2.gz ZDZKATSOTOBISO-LPHOPBHVSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000167309484 529248632 /nfs/dbraw/zinc/24/86/32/529248632.db2.gz ZDZKATSOTOBISO-LPHOPBHVSA-N 1 3 331.504 2.730 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000414660560 534935515 /nfs/dbraw/zinc/93/55/15/534935515.db2.gz OOMKNPDVMQPUMD-OALUTQOASA-N 1 3 344.547 2.778 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418454060 535026656 /nfs/dbraw/zinc/02/66/56/535026656.db2.gz AQDGZXXEIZJZDT-MOPGFXCFSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000347718439 535054101 /nfs/dbraw/zinc/05/41/01/535054101.db2.gz KTGBBACDQJLKFQ-QZTJIDSGSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)n1cc2c(n1)C[C@@H](NCc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425900022 535073687 /nfs/dbraw/zinc/07/36/87/535073687.db2.gz MXDDFSASFSYHGE-INIZCTEOSA-N 1 3 343.475 2.566 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC[C@H](C)N(C)C1CC1)[NH+]1CCCC1 ZINC000356280890 535107149 /nfs/dbraw/zinc/10/71/49/535107149.db2.gz NWJAWYMDACUUGN-MAUKXSAKSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)CN1CCO[C@H](CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000359525379 535125430 /nfs/dbraw/zinc/12/54/30/535125430.db2.gz RDLMNLQZQNZHEF-HXUWFJFHSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000356233321 535150031 /nfs/dbraw/zinc/15/00/31/535150031.db2.gz PTBPEEYWAMYBLV-VQIMIIECSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)N1CCC(O)(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000344636500 535165028 /nfs/dbraw/zinc/16/50/28/535165028.db2.gz GOZXHDISXJIBDC-UYAOXDASSA-N 1 3 345.531 2.647 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418436837 535187515 /nfs/dbraw/zinc/18/75/15/535187515.db2.gz JHJMMGJWVXLEFD-KRWDZBQOSA-N 1 3 346.519 2.667 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418427796 535191020 /nfs/dbraw/zinc/19/10/20/535191020.db2.gz OZZLLTAYNALHTK-HNNXBMFYSA-N 1 3 340.899 2.759 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417218075 535192505 /nfs/dbraw/zinc/19/25/05/535192505.db2.gz FNWHKPRFNLFOGZ-NVXWUHKLSA-N 1 3 332.492 2.639 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418444828 535193010 /nfs/dbraw/zinc/19/30/10/535193010.db2.gz XGQTUMONYVMYNN-QGZVFWFLSA-N 1 3 328.460 2.656 20 0 EFADHO CCC(N)(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000414815657 535195176 /nfs/dbraw/zinc/19/51/76/535195176.db2.gz XZPXWQGUMZUVLC-CYBMUJFWSA-N 1 3 337.464 2.528 20 0 EFADHO CCCN(C(=O)NC[C@@H]([NH3+])CC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418704943 535219766 /nfs/dbraw/zinc/21/97/66/535219766.db2.gz DEKXDAMCDGJCDK-RBUKOAKNSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CCc2nc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2C1 ZINC000414786817 535253102 /nfs/dbraw/zinc/25/31/02/535253102.db2.gz UYAJCYODLNQNJQ-JKSUJKDBSA-N 1 3 348.560 2.731 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418426454 535275769 /nfs/dbraw/zinc/27/57/69/535275769.db2.gz MECXFWHCRSGHNW-RBUKOAKNSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236824274 535307251 /nfs/dbraw/zinc/30/72/51/535307251.db2.gz UDUHHBQXMWVAKE-VQIMIIECSA-N 1 3 335.467 2.527 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000359662136 535323703 /nfs/dbraw/zinc/32/37/03/535323703.db2.gz DTUTUAYFXIBPES-SLFFLAALSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)N(C)C ZINC000359662136 535323707 /nfs/dbraw/zinc/32/37/07/535323707.db2.gz DTUTUAYFXIBPES-SLFFLAALSA-N 1 3 343.515 2.553 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)CC1 ZINC000417981791 535454809 /nfs/dbraw/zinc/45/48/09/535454809.db2.gz MLLIFIGQWJWMDO-QGZVFWFLSA-N 1 3 346.519 2.538 20 0 EFADHO CC[NH+](CC)CCCC1CCN(C(=O)NCCN(C)C2CC2)CC1 ZINC000360252084 535498804 /nfs/dbraw/zinc/49/88/04/535498804.db2.gz VCQNXSKNKRSFMW-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000418487006 535516894 /nfs/dbraw/zinc/51/68/94/535516894.db2.gz KCEVBESVDLYEAI-LJQANCHMSA-N 1 3 340.471 2.577 20 0 EFADHO CCC[C@@](C)(N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000262586476 535521944 /nfs/dbraw/zinc/52/19/44/535521944.db2.gz SSGYUEGPJAAZID-LJQANCHMSA-N 1 3 332.492 2.664 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)C[C@@H]2CCCN2C)cc1 ZINC000422013350 535552185 /nfs/dbraw/zinc/55/21/85/535552185.db2.gz CVKARQIMPAQALC-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](N)c1ccccc1 ZINC000418431227 535579490 /nfs/dbraw/zinc/57/94/90/535579490.db2.gz QKHRRNGTNPUNHQ-GBESFXJTSA-N 1 3 346.519 2.886 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccco1 ZINC000359540606 535603557 /nfs/dbraw/zinc/60/35/57/535603557.db2.gz COCDDFAMCABTIG-WBVHZDCISA-N 1 3 335.492 2.945 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)c1 ZINC000343630847 535607286 /nfs/dbraw/zinc/60/72/86/535607286.db2.gz QTXAMBJAQAPBPW-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343657481 535610805 /nfs/dbraw/zinc/61/08/05/535610805.db2.gz QMCSKZJJTGSMPA-QFBILLFUSA-N 1 3 346.519 2.810 20 0 EFADHO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414328169 535645310 /nfs/dbraw/zinc/64/53/10/535645310.db2.gz PTWFSTAJZGTTEW-HZPDHXFCSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000236820188 535652938 /nfs/dbraw/zinc/65/29/38/535652938.db2.gz UFTHKIGBISGMFF-IBGZPJMESA-N 1 3 347.503 2.584 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1ccsc1 ZINC000423322322 535674426 /nfs/dbraw/zinc/67/44/26/535674426.db2.gz IDSZQINKJFHUQT-NUEKZKHPSA-N 1 3 325.522 2.867 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1ccsc1 ZINC000423322320 535674839 /nfs/dbraw/zinc/67/48/39/535674839.db2.gz IDSZQINKJFHUQT-FVQBIDKESA-N 1 3 325.522 2.867 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](CN)c1ccccc1)c1ccccc1 ZINC000236883371 535675922 /nfs/dbraw/zinc/67/59/22/535675922.db2.gz KNAXOFZXBKSKCU-WOJBJXKFSA-N 1 3 339.483 2.928 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434358647 535719059 /nfs/dbraw/zinc/71/90/59/535719059.db2.gz RCDUXYFKAFMBDH-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823057 535741533 /nfs/dbraw/zinc/74/15/33/535741533.db2.gz YPVQXUUJXJFRDE-FOIQADDNSA-N 1 3 349.494 2.901 20 0 EFADHO CCN(CCOC)c1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)n1 ZINC000351713820 535751238 /nfs/dbraw/zinc/75/12/38/535751238.db2.gz XDLGKWXTWDWSIW-MJGOQNOKSA-N 1 3 348.535 2.716 20 0 EFADHO CCN(CCOC)c1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)n1 ZINC000351713820 535751245 /nfs/dbraw/zinc/75/12/45/535751245.db2.gz XDLGKWXTWDWSIW-MJGOQNOKSA-N 1 3 348.535 2.716 20 0 EFADHO CN(C)CCN(C(=O)NCC[NH2+]C1CCCCCC1)C1CCCC1 ZINC000418467407 535843281 /nfs/dbraw/zinc/84/32/81/535843281.db2.gz SFCJMXDRGUODAQ-UHFFFAOYSA-N 1 3 338.540 2.815 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000414892701 535912305 /nfs/dbraw/zinc/91/23/05/535912305.db2.gz XMTZLKRRDCKYNQ-KRWDZBQOSA-N 1 3 348.491 2.527 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)[C@H]1C[C@H]1C ZINC000414342447 535917056 /nfs/dbraw/zinc/91/70/56/535917056.db2.gz PPFBXWBKBGALMG-XPGWFJOJSA-N 1 3 343.515 2.908 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412255612 535964443 /nfs/dbraw/zinc/96/44/43/535964443.db2.gz ZNKUYMWRCWDXKS-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000344064174 535975085 /nfs/dbraw/zinc/97/50/85/535975085.db2.gz MSYNAVHAYWSREL-INIZCTEOSA-N 1 3 329.444 2.564 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000418646827 535975953 /nfs/dbraw/zinc/97/59/53/535975953.db2.gz FVZUKSMRUFMDBA-BEFAXECRSA-N 1 3 346.519 2.621 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000418648305 535976769 /nfs/dbraw/zinc/97/67/69/535976769.db2.gz HPRIRJCGQBAZET-RZRMAFQFSA-N 1 3 344.503 2.515 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000418648305 535976776 /nfs/dbraw/zinc/97/67/76/535976776.db2.gz HPRIRJCGQBAZET-RZRMAFQFSA-N 1 3 344.503 2.515 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000433559399 536008740 /nfs/dbraw/zinc/00/87/40/536008740.db2.gz HLMSYGULRSHVLI-IBGZPJMESA-N 1 3 344.503 2.564 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000346057262 536026699 /nfs/dbraw/zinc/02/66/99/536026699.db2.gz VKAVDUMYWQHCPK-FQEVSTJZSA-N 1 3 337.467 2.753 20 0 EFADHO C[NH2+][C@@H](C)Cc1noc(C2(C)CCN(Cc3ccccc3)CC2)n1 ZINC000414650450 536348295 /nfs/dbraw/zinc/34/82/95/536348295.db2.gz UHAHGZWSYCQCJF-HNNXBMFYSA-N 1 3 328.460 2.774 20 0 EFADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000425425124 536661971 /nfs/dbraw/zinc/66/19/71/536661971.db2.gz OBQLZLPMIXVBLT-IPMKNSEASA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000425425124 536661977 /nfs/dbraw/zinc/66/19/77/536661977.db2.gz OBQLZLPMIXVBLT-IPMKNSEASA-N 1 3 330.472 2.749 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1CCC1CC[NH2+]CC1 ZINC000359226439 536814200 /nfs/dbraw/zinc/81/42/00/536814200.db2.gz VYHRCSZZJXXHOP-SFHVURJKSA-N 1 3 345.487 2.796 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1ccnn1-c1ccccc1 ZINC000281524265 545663156 /nfs/dbraw/zinc/66/31/56/545663156.db2.gz HYAIIIKTIBFHQA-AEFFLSMTSA-N 1 3 330.476 2.880 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCSc3c(F)cccc32)CC1(C)C ZINC000282361942 545667550 /nfs/dbraw/zinc/66/75/50/545667550.db2.gz PTRMSJVACSTKMA-INIZCTEOSA-N 1 3 337.508 2.978 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)oc1C ZINC000339072247 545922106 /nfs/dbraw/zinc/92/21/06/545922106.db2.gz VHWGLQJBOKBKIT-MOPGFXCFSA-N 1 3 346.519 2.720 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000339240751 545926271 /nfs/dbraw/zinc/92/62/71/545926271.db2.gz QUWOJMUYAUUHOA-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000339240751 545926274 /nfs/dbraw/zinc/92/62/74/545926274.db2.gz QUWOJMUYAUUHOA-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000339263902 545927339 /nfs/dbraw/zinc/92/73/39/545927339.db2.gz IBVXQWTWRIKQMK-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000339263902 545927342 /nfs/dbraw/zinc/92/73/42/545927342.db2.gz IBVXQWTWRIKQMK-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000341364959 545940642 /nfs/dbraw/zinc/94/06/42/545940642.db2.gz DNLDUXLCZOBCGX-IAGOWNOFSA-N 1 3 334.508 2.536 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000343438721 545958042 /nfs/dbraw/zinc/95/80/42/545958042.db2.gz DWFSIMWMDGTMKG-MSOLQXFVSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@@H]1C[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000353207945 546058416 /nfs/dbraw/zinc/05/84/16/546058416.db2.gz ZMJDPJJPLZSKRS-OXQOHEQNSA-N 1 3 341.499 2.813 20 0 EFADHO C[C@H]1C[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000353207944 546058554 /nfs/dbraw/zinc/05/85/54/546058554.db2.gz ZMJDPJJPLZSKRS-OXJNMPFZSA-N 1 3 341.499 2.813 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000357289344 546102686 /nfs/dbraw/zinc/10/26/86/546102686.db2.gz AUPRJAXDNSJNND-VQIMIIECSA-N 1 3 347.503 2.679 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000357289344 546102689 /nfs/dbraw/zinc/10/26/89/546102689.db2.gz AUPRJAXDNSJNND-VQIMIIECSA-N 1 3 347.503 2.679 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360338370 546129083 /nfs/dbraw/zinc/12/90/83/546129083.db2.gz XWSCUQUJAGUBNQ-AOIWGVFYSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000389909714 546159991 /nfs/dbraw/zinc/15/99/91/546159991.db2.gz INUAZOPKWLBSMH-YTQUADARSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390737335 546162547 /nfs/dbraw/zinc/16/25/47/546162547.db2.gz JLESGSAWGVBOFJ-RBUKOAKNSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)c1cccc(-n2cnnn2)c1 ZINC000391741619 546164953 /nfs/dbraw/zinc/16/49/53/546164953.db2.gz RSOFDUXSHJUOJL-HOTGVXAUSA-N 1 3 328.464 2.577 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000391741621 546165014 /nfs/dbraw/zinc/16/50/14/546165014.db2.gz RSOFDUXSHJUOJL-HZPDHXFCSA-N 1 3 328.464 2.577 20 0 EFADHO C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000414295447 546188227 /nfs/dbraw/zinc/18/82/27/546188227.db2.gz FPVLZKUCVJWEQS-XYPHTWIQSA-N 1 3 342.430 2.826 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414931948 546194520 /nfs/dbraw/zinc/19/45/20/546194520.db2.gz VCWLKPOLXDRXHT-FPMFFAJLSA-N 1 3 339.867 2.925 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000414931948 546194525 /nfs/dbraw/zinc/19/45/25/546194525.db2.gz VCWLKPOLXDRXHT-FPMFFAJLSA-N 1 3 339.867 2.925 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccsc1 ZINC000417005580 546206579 /nfs/dbraw/zinc/20/65/79/546206579.db2.gz JBCQNEUULMPQGG-ARFHVFGLSA-N 1 3 338.521 2.700 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850526 546211718 /nfs/dbraw/zinc/21/17/18/546211718.db2.gz XTLIWGVTUKUKDH-OQIJWPOYSA-N 1 3 344.503 2.609 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418034804 546212962 /nfs/dbraw/zinc/21/29/62/546212962.db2.gz OTYHXZHLTHVBBE-QYZOEREBSA-N 1 3 346.519 2.712 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444891 546449947 /nfs/dbraw/zinc/44/99/47/546449947.db2.gz WDKIZUKBWNPWNX-SFHLNBCPSA-N 1 3 341.499 2.720 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC000655447462 546450933 /nfs/dbraw/zinc/45/09/33/546450933.db2.gz XKBKRMVARZJBEX-RIFZZMRRSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655680404 546530922 /nfs/dbraw/zinc/53/09/22/546530922.db2.gz MFZJZWHJVQARBD-VQTJNVASSA-N 1 3 349.494 2.661 20 0 EFADHO CCC(CC)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N(C)C ZINC000655687212 546532464 /nfs/dbraw/zinc/53/24/64/546532464.db2.gz MONHWPWQLKBNLO-RTBURBONSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCCCCC1 ZINC000655687207 546532528 /nfs/dbraw/zinc/53/25/28/546532528.db2.gz MMJXBSQAXRFHTN-VQTJNVASSA-N 1 3 337.552 2.730 20 0 EFADHO c1coc([C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)N2CCCCC2)c1 ZINC000655693314 546537281 /nfs/dbraw/zinc/53/72/81/546537281.db2.gz XETUTXUHBQMSRZ-RBUKOAKNSA-N 1 3 347.503 2.650 20 0 EFADHO CN(CCC[NH2+]C1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655698326 546539145 /nfs/dbraw/zinc/53/91/45/546539145.db2.gz UONAKNQYAACMRO-OAQYLSRUSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H]1CCC[C@](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)(N(C)C)C1 ZINC000655697810 546539183 /nfs/dbraw/zinc/53/91/83/546539183.db2.gz WJWWZPNGPFPRDP-HOJAQTOUSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655697421 546539325 /nfs/dbraw/zinc/53/93/25/546539325.db2.gz OXCFHCRXFXKMEA-SCTDSRPQSA-N 1 3 337.552 2.586 20 0 EFADHO Cc1ccc([C@@H](CNC2CC[NH+]([C@H]3CCOC3)CC2)N2CCCC2)o1 ZINC000655704661 546541298 /nfs/dbraw/zinc/54/12/98/546541298.db2.gz HOMWXMWNHFQXGJ-RBUKOAKNSA-N 1 3 347.503 2.568 20 0 EFADHO CCN(CC)[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccco1 ZINC000655703978 546541391 /nfs/dbraw/zinc/54/13/91/546541391.db2.gz XPVNPZLWMKTRPR-MSOLQXFVSA-N 1 3 335.492 2.505 20 0 EFADHO C[C@H](CC[NH2+]C1CCN([C@@H]2CCOC2)CC1)N(C)Cc1ccccc1 ZINC000655719982 546548769 /nfs/dbraw/zinc/54/87/69/546548769.db2.gz YLFNDNOMHAWDBW-WIYYLYMNSA-N 1 3 345.531 2.740 20 0 EFADHO c1ccc2c(c1)CCO[C@H]2CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655731035 546555225 /nfs/dbraw/zinc/55/52/25/546555225.db2.gz UQQZQVJUIUNPNO-ICSRJNTNSA-N 1 3 330.472 2.533 20 0 EFADHO CN(C)CCOc1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655746864 546564653 /nfs/dbraw/zinc/56/46/53/546564653.db2.gz ILVVLJIDGYFZOK-HXUWFJFHSA-N 1 3 347.503 2.682 20 0 EFADHO c1cc(NC2CCN([C@@H]3CCOC3)CC2)ccc1CC[NH+]1CCCC1 ZINC000655749395 546565519 /nfs/dbraw/zinc/56/55/19/546565519.db2.gz CUUITMMENOOFDQ-OAQYLSRUSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(OCC[NH+](C)C)c1 ZINC000655752196 546566787 /nfs/dbraw/zinc/56/67/87/546566787.db2.gz NMGTYWVMMDXIKZ-GOSISDBHSA-N 1 3 347.503 2.601 20 0 EFADHO C([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN1C1CCCCC1 ZINC000655762140 546570562 /nfs/dbraw/zinc/57/05/62/546570562.db2.gz AZIDHSVPFRJWGK-UXHICEINSA-N 1 3 335.536 2.626 20 0 EFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655909319 546633363 /nfs/dbraw/zinc/63/33/63/546633363.db2.gz GTYQZOREYDUXCU-NVXWUHKLSA-N 1 3 346.450 2.610 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000655973109 546655734 /nfs/dbraw/zinc/65/57/34/546655734.db2.gz CBHJLHAOCFYGSF-AKHDSKFASA-N 1 3 348.535 2.567 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000656199063 546719574 /nfs/dbraw/zinc/71/95/74/546719574.db2.gz HCGQWSMCMDFRCI-LLDVTBCESA-N 1 3 333.451 2.737 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]C3CC(C)(c4ccccc4)C3)C2)CC1 ZINC000656499175 546821373 /nfs/dbraw/zinc/82/13/73/546821373.db2.gz YXKUIVBLJOLGPY-LWEYNCJUSA-N 1 3 327.516 2.865 20 0 EFADHO Fc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1-n1cncn1 ZINC000656785161 546923256 /nfs/dbraw/zinc/92/32/56/546923256.db2.gz JULUYKJSQRLLRP-QGZVFWFLSA-N 1 3 343.450 2.618 20 0 EFADHO COCCOc1cccc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784709 546923519 /nfs/dbraw/zinc/92/35/19/546923519.db2.gz GDLYGBYPTFBFLF-LJQANCHMSA-N 1 3 332.488 2.923 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786558 546923938 /nfs/dbraw/zinc/92/39/38/546923938.db2.gz NJDTYVFXVIFWNM-QGZVFWFLSA-N 1 3 347.551 2.821 20 0 EFADHO CN(c1ccccc1CNCC1([NH3+])CCCC1)C1CCN(C)CC1 ZINC000656788870 546924070 /nfs/dbraw/zinc/92/40/70/546924070.db2.gz FDXILBXLFJTAJL-UHFFFAOYSA-N 1 3 330.520 2.578 20 0 EFADHO CCOc1ccc(C[NH2+]CCCCN2CCN(CC)CC2)c(C)c1 ZINC000657307838 547100922 /nfs/dbraw/zinc/10/09/22/547100922.db2.gz KJPREUWJERTYSE-UHFFFAOYSA-N 1 3 333.520 2.901 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657311184 547102936 /nfs/dbraw/zinc/10/29/36/547102936.db2.gz VFWZWXDDEXBBAX-CYBMUJFWSA-N 1 3 345.409 2.543 20 0 EFADHO CC[NH+]1CCC(CNCc2cncc(Br)c2C)CC1 ZINC000657346531 547124153 /nfs/dbraw/zinc/12/41/53/547124153.db2.gz FPOFJGIDHDZTHH-UHFFFAOYSA-N 1 3 326.282 2.974 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC000657355902 547127700 /nfs/dbraw/zinc/12/77/00/547127700.db2.gz DAXRXGLJWLSZDH-CQSZACIVSA-N 1 3 346.393 2.754 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cccc(F)c1OC(F)F ZINC000657355902 547127701 /nfs/dbraw/zinc/12/77/01/547127701.db2.gz DAXRXGLJWLSZDH-CQSZACIVSA-N 1 3 346.393 2.754 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(C)c1 ZINC000657364260 547132128 /nfs/dbraw/zinc/13/21/28/547132128.db2.gz JZMNUIHESMEAMS-KRWDZBQOSA-N 1 3 332.488 2.984 20 0 EFADHO C[NH+](C)CCOc1cc(CNCc2cc3ccncc3s2)ccn1 ZINC000657420569 547155545 /nfs/dbraw/zinc/15/55/45/547155545.db2.gz DJBAOFYYGXRDNH-UHFFFAOYSA-N 1 3 342.468 2.922 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1 ZINC000657673547 547247241 /nfs/dbraw/zinc/24/72/41/547247241.db2.gz KCMJPQLJJJBIMQ-GOSISDBHSA-N 1 3 344.430 2.859 20 0 EFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)[C@]1(O)CCCOC1 ZINC000657767104 547279023 /nfs/dbraw/zinc/27/90/23/547279023.db2.gz UKQLTKFYBRLOGK-FQEVSTJZSA-N 1 3 338.536 2.941 20 0 EFADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)[C@]1(O)CCCOC1 ZINC000657767104 547279028 /nfs/dbraw/zinc/27/90/28/547279028.db2.gz UKQLTKFYBRLOGK-FQEVSTJZSA-N 1 3 338.536 2.941 20 0 EFADHO CN(C)C(=O)c1ccccc1CNCC1CC[NH+](CC2CC2)CC1 ZINC000657813858 547292730 /nfs/dbraw/zinc/29/27/30/547292730.db2.gz BYPFXMUITOONPT-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000657838534 547298882 /nfs/dbraw/zinc/29/88/82/547298882.db2.gz VKZAJXCXMXLMPN-DLBZAZTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000657838534 547298888 /nfs/dbraw/zinc/29/88/88/547298888.db2.gz VKZAJXCXMXLMPN-DLBZAZTESA-N 1 3 327.476 2.688 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000657838990 547299077 /nfs/dbraw/zinc/29/90/77/547299077.db2.gz JCTMBFXRDHMWHE-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657838367 547299096 /nfs/dbraw/zinc/29/90/96/547299096.db2.gz SCXGOVJOQSBSCE-IRXDYDNUSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657838367 547299099 /nfs/dbraw/zinc/29/90/99/547299099.db2.gz SCXGOVJOQSBSCE-IRXDYDNUSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000657838540 547299168 /nfs/dbraw/zinc/29/91/68/547299168.db2.gz VKZAJXCXMXLMPN-SJORKVTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000657838540 547299171 /nfs/dbraw/zinc/29/91/71/547299171.db2.gz VKZAJXCXMXLMPN-SJORKVTESA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000657871481 547307642 /nfs/dbraw/zinc/30/76/42/547307642.db2.gz JHQDNVSRESBGQI-QGZVFWFLSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1cc2ccncc2s1 ZINC000657873245 547307717 /nfs/dbraw/zinc/30/77/17/547307717.db2.gz RRPLDSKBTQMVOW-OAHLLOKOSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@H](Cn1cncn1)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000657880090 547308732 /nfs/dbraw/zinc/30/87/32/547308732.db2.gz KXHJENUHJFPBNF-OAHLLOKOSA-N 1 3 347.894 2.822 20 0 EFADHO C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCCn4nccc43)cc2)CC1 ZINC000658006576 547334458 /nfs/dbraw/zinc/33/44/58/547334458.db2.gz KBIHCQOYEUDHJZ-LJQANCHMSA-N 1 3 340.471 2.981 20 0 EFADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]2CCC[C@@H]21 ZINC000658164565 547377115 /nfs/dbraw/zinc/37/71/15/547377115.db2.gz NVLLZJFLRCRLGP-HKBOAZHASA-N 1 3 342.531 2.756 20 0 EFADHO CCn1cc([C@@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000658165666 547378544 /nfs/dbraw/zinc/37/85/44/547378544.db2.gz JRIPHXQDXUGHOF-MRXNPFEDSA-N 1 3 327.476 2.861 20 0 EFADHO Cc1nccnc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166360 547379030 /nfs/dbraw/zinc/37/90/30/547379030.db2.gz OABBAOWSGMSGII-INIZCTEOSA-N 1 3 325.460 2.743 20 0 EFADHO C([C@H]1CCCO1)N1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2)CC1 ZINC000658231551 547392527 /nfs/dbraw/zinc/39/25/27/547392527.db2.gz VNPOLOOGXLSPBJ-UYAOXDASSA-N 1 3 335.536 2.626 20 0 EFADHO c1nnc([C@@H](NCC2CC[NH+](CC3CC3)CC2)c2ccccc2)[nH]1 ZINC000658357653 547424824 /nfs/dbraw/zinc/42/48/24/547424824.db2.gz VBVBDJLEFCNQPZ-SFHVURJKSA-N 1 3 325.460 2.606 20 0 EFADHO C[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C(C)(C)C ZINC000670268218 547465486 /nfs/dbraw/zinc/46/54/86/547465486.db2.gz OXFWYKGPKSEPGE-AEFFLSMTSA-N 1 3 333.520 2.547 20 0 EFADHO Cn1cc(CCCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000671723455 547659400 /nfs/dbraw/zinc/65/94/00/547659400.db2.gz ZMLAASXBXOEDFY-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cc(CCCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000671723455 547659402 /nfs/dbraw/zinc/65/94/02/547659402.db2.gz ZMLAASXBXOEDFY-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000672614713 547774012 /nfs/dbraw/zinc/77/40/12/547774012.db2.gz BLPGUKBZVAJUAB-ZNMIVQPWSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000672614713 547774016 /nfs/dbraw/zinc/77/40/16/547774016.db2.gz BLPGUKBZVAJUAB-ZNMIVQPWSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000672614711 547774089 /nfs/dbraw/zinc/77/40/89/547774089.db2.gz BLPGUKBZVAJUAB-RBSFLKMASA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000672614711 547774090 /nfs/dbraw/zinc/77/40/90/547774090.db2.gz BLPGUKBZVAJUAB-RBSFLKMASA-N 1 3 347.425 2.536 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000672884366 547821106 /nfs/dbraw/zinc/82/11/06/547821106.db2.gz FEHKEBZLMIBOLN-BXWFABGCSA-N 1 3 346.519 2.707 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673651080 547927393 /nfs/dbraw/zinc/92/73/93/547927393.db2.gz LDVAVOVLOFTMBQ-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673651080 547927398 /nfs/dbraw/zinc/92/73/98/547927398.db2.gz LDVAVOVLOFTMBQ-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000674307922 548061313 /nfs/dbraw/zinc/06/13/13/548061313.db2.gz LEBQTOAFOORPRN-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000675177749 548220037 /nfs/dbraw/zinc/22/00/37/548220037.db2.gz QRPSBMFCRRQUNB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000675177749 548220040 /nfs/dbraw/zinc/22/00/40/548220040.db2.gz QRPSBMFCRRQUNB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000675194470 548225875 /nfs/dbraw/zinc/22/58/75/548225875.db2.gz OITBXPSYWBUMFK-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000675194470 548225879 /nfs/dbraw/zinc/22/58/79/548225879.db2.gz OITBXPSYWBUMFK-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccccc2=O)CC1 ZINC000675641798 548323001 /nfs/dbraw/zinc/32/30/01/548323001.db2.gz WLOKNPVSZMRGTP-GOSISDBHSA-N 1 3 331.504 2.825 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCn2ccccc2=O)CC1 ZINC000675641798 548323004 /nfs/dbraw/zinc/32/30/04/548323004.db2.gz WLOKNPVSZMRGTP-GOSISDBHSA-N 1 3 331.504 2.825 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000675641856 548323082 /nfs/dbraw/zinc/32/30/82/548323082.db2.gz YPYMCAZYUVRDFK-KRWDZBQOSA-N 1 3 331.504 2.862 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccn(C)c(=O)c2)CC1 ZINC000675641856 548323085 /nfs/dbraw/zinc/32/30/85/548323085.db2.gz YPYMCAZYUVRDFK-KRWDZBQOSA-N 1 3 331.504 2.862 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2nc(C)cs2)[C@@H](C)C1 ZINC000675749690 548345723 /nfs/dbraw/zinc/34/57/23/548345723.db2.gz XGMRBICRZOHEPA-GOEBONIOSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2nc(C)cs2)[C@@H](C)C1 ZINC000675749690 548345728 /nfs/dbraw/zinc/34/57/28/548345728.db2.gz XGMRBICRZOHEPA-GOEBONIOSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675779529 548350706 /nfs/dbraw/zinc/35/07/06/548350706.db2.gz CRGWTWDNBWHQLU-RXVVDRJESA-N 1 3 345.531 2.729 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675779529 548350707 /nfs/dbraw/zinc/35/07/07/548350707.db2.gz CRGWTWDNBWHQLU-RXVVDRJESA-N 1 3 345.531 2.729 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)COC2 ZINC000675876824 548366459 /nfs/dbraw/zinc/36/64/59/548366459.db2.gz ZXQVDLHIWBXCKE-BEFAXECRSA-N 1 3 329.488 2.536 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000675871393 548366529 /nfs/dbraw/zinc/36/65/29/548366529.db2.gz DUZWSSALSVLIOC-LAUBAEHRSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)COC2 ZINC000675876826 548366861 /nfs/dbraw/zinc/36/68/61/548366861.db2.gz ZXQVDLHIWBXCKE-DNVCBOLYSA-N 1 3 329.488 2.536 20 0 EFADHO COC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000675929485 548377376 /nfs/dbraw/zinc/37/73/76/548377376.db2.gz HOMVUGUIBQCWSJ-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO COC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000675929485 548377378 /nfs/dbraw/zinc/37/73/78/548377378.db2.gz HOMVUGUIBQCWSJ-UYAOXDASSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1COCCCN1Cc1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1 ZINC000676712602 548525419 /nfs/dbraw/zinc/52/54/19/548525419.db2.gz AUWGOBPQTHPBQA-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1COCCCN1Cc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1 ZINC000676712602 548525422 /nfs/dbraw/zinc/52/54/22/548525422.db2.gz AUWGOBPQTHPBQA-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000678220843 548868354 /nfs/dbraw/zinc/86/83/54/548868354.db2.gz SODDQFWXLWKEAF-UHFFFAOYSA-N 1 3 340.467 2.933 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000678220843 548868358 /nfs/dbraw/zinc/86/83/58/548868358.db2.gz SODDQFWXLWKEAF-UHFFFAOYSA-N 1 3 340.467 2.933 20 0 EFADHO CN(c1ccccc1CN(CCCO)C1CC1)C1CC[NH+](C)CC1 ZINC000678263317 548881712 /nfs/dbraw/zinc/88/17/12/548881712.db2.gz HAGUBHPWGMAFMV-UHFFFAOYSA-N 1 3 331.504 2.564 20 0 EFADHO C[C@H]1COCCCN1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000678274667 548885228 /nfs/dbraw/zinc/88/52/28/548885228.db2.gz RRIMJXXFWRZIKH-KRWDZBQOSA-N 1 3 331.504 2.828 20 0 EFADHO c1ccc2c(c1)[nH]nc2CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000678283005 548888822 /nfs/dbraw/zinc/88/88/22/548888822.db2.gz UFJSMHFUZBBUGH-UHFFFAOYSA-N 1 3 328.460 2.640 20 0 EFADHO c1ccc2c(c1)n[nH]c2CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000678283005 548888826 /nfs/dbraw/zinc/88/88/26/548888826.db2.gz UFJSMHFUZBBUGH-UHFFFAOYSA-N 1 3 328.460 2.640 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](Nc3ncncc3-c3ccccc3)C2)CC1 ZINC000678717178 548976148 /nfs/dbraw/zinc/97/61/48/548976148.db2.gz ILOWUWOOZQQKFN-QGZVFWFLSA-N 1 3 337.471 2.724 20 0 EFADHO CC[C@H]([NH2+]CC[C@H]1CCCCN1C)c1ccccc1OCC(=O)NC ZINC000678747912 548981150 /nfs/dbraw/zinc/98/11/50/548981150.db2.gz SKMBVRLUQCWTOJ-AEFFLSMTSA-N 1 3 347.503 2.727 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C12CCCC2 ZINC000678923907 549017861 /nfs/dbraw/zinc/01/78/61/549017861.db2.gz FAIKRVSNYPXLTI-UXHICEINSA-N 1 3 349.563 2.872 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@@H](C)C1 ZINC000678929530 549018761 /nfs/dbraw/zinc/01/87/61/549018761.db2.gz JQTRVUIOXZDHJF-FUHWJXTLSA-N 1 3 336.524 2.865 20 0 EFADHO C[C@H](NCCOC[C@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679626340 549160789 /nfs/dbraw/zinc/16/07/89/549160789.db2.gz UFAAQWGXWPYCIB-YSIASYRMSA-N 1 3 332.488 2.540 20 0 EFADHO C[C@H](NCCOC[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679626340 549160792 /nfs/dbraw/zinc/16/07/92/549160792.db2.gz UFAAQWGXWPYCIB-YSIASYRMSA-N 1 3 332.488 2.540 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680269978 549285123 /nfs/dbraw/zinc/28/51/23/549285123.db2.gz NHJJMJDZRORYQX-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680269978 549285126 /nfs/dbraw/zinc/28/51/26/549285126.db2.gz NHJJMJDZRORYQX-HSALFYBXSA-N 1 3 343.515 2.745 20 0 EFADHO CC1(C)CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000682169558 549709383 /nfs/dbraw/zinc/70/93/83/549709383.db2.gz YLGVSQQGXSOYGO-LJQANCHMSA-N 1 3 332.488 2.754 20 0 EFADHO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000682420662 549736708 /nfs/dbraw/zinc/73/67/08/549736708.db2.gz LMFDFBIHBIGICE-HXUWFJFHSA-N 1 3 342.483 2.629 20 0 EFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ccn(C)c(=O)c1 ZINC000682534300 549760058 /nfs/dbraw/zinc/76/00/58/549760058.db2.gz QMWBPKLMQXWIQE-IRXDYDNUSA-N 1 3 339.483 2.632 20 0 EFADHO O=C(CCN1CCC(C[NH+]2CCCCCC2)CC1)Nc1cccnc1 ZINC000683002167 549837390 /nfs/dbraw/zinc/83/73/90/549837390.db2.gz BZTWXVIOMWAWTQ-UHFFFAOYSA-N 1 3 344.503 2.998 20 0 EFADHO Cc1cc(-n2ccnc2)ccc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683014133 549838632 /nfs/dbraw/zinc/83/86/32/549838632.db2.gz NUMOCNZMPXYVLN-UHFFFAOYSA-N 1 3 333.439 2.898 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000683474814 549904038 /nfs/dbraw/zinc/90/40/38/549904038.db2.gz PNLXQLPBNQDUBP-LJQANCHMSA-N 1 3 340.467 2.980 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCNc4ccccc43)C2)CC1 ZINC000683690347 549931917 /nfs/dbraw/zinc/93/19/17/549931917.db2.gz HVBCZAOHJLOLMH-UZLBHIALSA-N 1 3 328.504 2.692 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683765506 549943220 /nfs/dbraw/zinc/94/32/20/549943220.db2.gz RMIAQYYKRLXRPO-UHFFFAOYSA-N 1 3 326.488 2.742 20 0 EFADHO CCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000685440044 550152132 /nfs/dbraw/zinc/15/21/32/550152132.db2.gz BXODZJDBOIQXHQ-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000685443791 550152614 /nfs/dbraw/zinc/15/26/14/550152614.db2.gz CBBJBCBKTJMZOC-DFNIBXOVSA-N 1 3 327.472 2.636 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C(=O)NC3CC3)cc1)C2 ZINC000685443791 550152616 /nfs/dbraw/zinc/15/26/16/550152616.db2.gz CBBJBCBKTJMZOC-DFNIBXOVSA-N 1 3 327.472 2.636 20 0 EFADHO CN(Cc1scnc1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457624 550154098 /nfs/dbraw/zinc/15/40/98/550154098.db2.gz HIUCELVAZSKCJV-MRXNPFEDSA-N 1 3 334.533 2.621 20 0 EFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000685457965 550154530 /nfs/dbraw/zinc/15/45/30/550154530.db2.gz VBUMFPAVIOUWSW-SESVDKBCSA-N 1 3 327.516 2.890 20 0 EFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000685457965 550154532 /nfs/dbraw/zinc/15/45/32/550154532.db2.gz VBUMFPAVIOUWSW-SESVDKBCSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457965 550154534 /nfs/dbraw/zinc/15/45/34/550154534.db2.gz VBUMFPAVIOUWSW-SESVDKBCSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457965 550154536 /nfs/dbraw/zinc/15/45/36/550154536.db2.gz VBUMFPAVIOUWSW-SESVDKBCSA-N 1 3 327.516 2.890 20 0 EFADHO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000754159661 575399936 /nfs/dbraw/zinc/39/99/36/575399936.db2.gz FLZIQVMUPPIBSW-IAGOWNOFSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccc(CN(C)C)cc2)CC1 ZINC000757667062 575848721 /nfs/dbraw/zinc/84/87/21/575848721.db2.gz VGHPLVUMEZNWQU-UHFFFAOYSA-N 1 3 331.504 2.827 20 0 EFADHO C/C(=C\c1cccc(Cl)c1)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000759011831 575882746 /nfs/dbraw/zinc/88/27/46/575882746.db2.gz JREWFQLSHMNXFG-FYWRMAATSA-N 1 3 337.895 2.695 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C[C@@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759844332 575944893 /nfs/dbraw/zinc/94/48/93/575944893.db2.gz IGDASVDLSCFLNI-KRWDZBQOSA-N 1 3 338.492 2.666 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C[C@@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000759844332 575944895 /nfs/dbraw/zinc/94/48/95/575944895.db2.gz IGDASVDLSCFLNI-KRWDZBQOSA-N 1 3 338.492 2.666 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964141 575963639 /nfs/dbraw/zinc/96/36/39/575963639.db2.gz DFLZMGOKMAMRFH-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964141 575963640 /nfs/dbraw/zinc/96/36/40/575963640.db2.gz DFLZMGOKMAMRFH-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000759964141 575963641 /nfs/dbraw/zinc/96/36/41/575963641.db2.gz DFLZMGOKMAMRFH-HOTGVXAUSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000762544542 576311879 /nfs/dbraw/zinc/31/18/79/576311879.db2.gz DCSAIRGSKJATCC-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](NCC1CC[NH+](C)CC1)c1cc(Br)ncc1F ZINC000762743459 576328300 /nfs/dbraw/zinc/32/83/00/576328300.db2.gz BSJDAMUPEZEHJQ-JTQLQIEISA-N 1 3 330.245 2.976 20 0 EFADHO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000763525438 576380199 /nfs/dbraw/zinc/38/01/99/576380199.db2.gz PMHGLWMROSGQOQ-YJBOKZPZSA-N 1 3 332.444 2.822 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763777019 576397960 /nfs/dbraw/zinc/39/79/60/576397960.db2.gz CUNQWPDRXKQHAH-NXHRZFHOSA-N 1 3 328.456 2.582 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000763777019 576397962 /nfs/dbraw/zinc/39/79/62/576397962.db2.gz CUNQWPDRXKQHAH-NXHRZFHOSA-N 1 3 328.456 2.582 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000764805654 576505933 /nfs/dbraw/zinc/50/59/33/576505933.db2.gz IGVDFSNPKFWHDM-ICSRJNTNSA-N 1 3 333.520 2.596 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765414908 577039803 /nfs/dbraw/zinc/03/98/03/577039803.db2.gz BNOJKERKMNJYFG-ICSRJNTNSA-N 1 3 345.531 2.776 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000765414908 577039805 /nfs/dbraw/zinc/03/98/05/577039805.db2.gz BNOJKERKMNJYFG-ICSRJNTNSA-N 1 3 345.531 2.776 20 0 EFADHO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000765438443 577042347 /nfs/dbraw/zinc/04/23/47/577042347.db2.gz IROGFQLOCWBNPA-HOTGVXAUSA-N 1 3 328.460 2.699 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000765501425 577047454 /nfs/dbraw/zinc/04/74/54/577047454.db2.gz IWCLFLOEGBIWRQ-UXIGCNINSA-N 1 3 332.366 2.691 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000765501425 577047456 /nfs/dbraw/zinc/04/74/56/577047456.db2.gz IWCLFLOEGBIWRQ-UXIGCNINSA-N 1 3 332.366 2.691 20 0 EFADHO COc1ccc2c(c1)nccc2NCCN1CCC([NH+](C)C)CC1 ZINC000765515452 577050081 /nfs/dbraw/zinc/05/00/81/577050081.db2.gz KOSROEZTIKJFFN-UHFFFAOYSA-N 1 3 328.460 2.681 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765878212 577084479 /nfs/dbraw/zinc/08/44/79/577084479.db2.gz YTMYLPNOVMSGIN-OLZOCXBDSA-N 1 3 346.443 2.675 20 0 EFADHO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000765947913 577091256 /nfs/dbraw/zinc/09/12/56/577091256.db2.gz XSEMTUBTLOJKRL-IEBWSBKVSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCNc2ncccn2)CC1 ZINC000766517180 577160743 /nfs/dbraw/zinc/16/07/43/577160743.db2.gz LSLGJFNHJFZZEN-FUHWJXTLSA-N 1 3 331.508 2.911 20 0 EFADHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OC(=O)C1CC1 ZINC000768304165 577265338 /nfs/dbraw/zinc/26/53/38/577265338.db2.gz XTHAKJDWEVZKJF-UHFFFAOYSA-N 1 3 346.471 2.784 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[N@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000769661565 577377392 /nfs/dbraw/zinc/37/73/92/577377392.db2.gz VKVBUHLKJMBFNO-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCCN2C)cc1 ZINC000769661565 577377395 /nfs/dbraw/zinc/37/73/95/577377395.db2.gz VKVBUHLKJMBFNO-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[N@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000769661562 577377408 /nfs/dbraw/zinc/37/74/08/577377408.db2.gz VKVBUHLKJMBFNO-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CN(C)c1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCCN2C)cc1 ZINC000769661562 577377409 /nfs/dbraw/zinc/37/74/09/577377409.db2.gz VKVBUHLKJMBFNO-IBGZPJMESA-N 1 3 346.519 2.887 20 0 EFADHO CCOC(=O)N1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000769938826 577394419 /nfs/dbraw/zinc/39/44/19/577394419.db2.gz KNGZGVLYPMMSJR-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO CCOC(=O)N1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000769938826 577394420 /nfs/dbraw/zinc/39/44/20/577394420.db2.gz KNGZGVLYPMMSJR-SFHVURJKSA-N 1 3 347.503 2.965 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000772875655 581376782 /nfs/dbraw/zinc/37/67/82/581376782.db2.gz UJWQQOIINRFQIA-QKPAOTATSA-N 1 3 344.446 2.960 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033381 581389793 /nfs/dbraw/zinc/38/97/93/581389793.db2.gz SLSAHNAGRMYHEI-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033381 581389794 /nfs/dbraw/zinc/38/97/94/581389794.db2.gz SLSAHNAGRMYHEI-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO CN(CC(=O)NCCC[N@H+](C)Cc1cccc(F)c1)CC(C)(C)C ZINC001752060014 1249250770 /nfs/dbraw/zinc/25/07/70/1249250770.db2.gz HICKLLDZOHSLFW-UHFFFAOYSA-N 1 3 337.483 2.742 20 0 EFADHO CN(CC(=O)NCCC[N@@H+](C)Cc1cccc(F)c1)CC(C)(C)C ZINC001752060014 1249250779 /nfs/dbraw/zinc/25/07/79/1249250779.db2.gz HICKLLDZOHSLFW-UHFFFAOYSA-N 1 3 337.483 2.742 20 0 EFADHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCC(C)CC1 ZINC001752211840 1249360255 /nfs/dbraw/zinc/36/02/55/1249360255.db2.gz HHIMVVHKUWQHMC-JLAWEPINSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)CC1CCC(C)CC1 ZINC001752211840 1249360261 /nfs/dbraw/zinc/36/02/61/1249360261.db2.gz HHIMVVHKUWQHMC-JLAWEPINSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)C[NH2+]CC3)CN1Cc1ccccc1 ZINC000398065438 1249588567 /nfs/dbraw/zinc/58/85/67/1249588567.db2.gz NSYYTNJIMFDMDE-IERDGZPVSA-N 1 3 349.478 2.725 20 0 EFADHO CC(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530360 1249652196 /nfs/dbraw/zinc/65/21/96/1249652196.db2.gz QKBNDTOJFGNHNF-PXNSSMCTSA-N 1 3 335.536 2.593 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000700799273 1250184054 /nfs/dbraw/zinc/18/40/54/1250184054.db2.gz HVDPKLQCSNKNAU-OWCLPIDISA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001753900888 1247871596 /nfs/dbraw/zinc/87/15/96/1247871596.db2.gz CNKUNGPDJFKOIY-STQMWFEESA-N 1 3 336.307 2.520 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000850468057 1250494452 /nfs/dbraw/zinc/49/44/52/1250494452.db2.gz YDQZNFIQXCPNDC-INIZCTEOSA-N 1 3 331.504 2.688 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000850546500 1250529617 /nfs/dbraw/zinc/52/96/17/1250529617.db2.gz KFASRFLSOMTJPO-QRVBRYPASA-N 1 3 345.487 2.717 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000850546500 1250529625 /nfs/dbraw/zinc/52/96/25/1250529625.db2.gz KFASRFLSOMTJPO-QRVBRYPASA-N 1 3 345.487 2.717 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613072 1250868059 /nfs/dbraw/zinc/86/80/59/1250868059.db2.gz FLLKCYGKASEONX-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000314613072 1250868067 /nfs/dbraw/zinc/86/80/67/1250868067.db2.gz FLLKCYGKASEONX-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3NCCc4ccccc43)cc21 ZINC000851636261 1251155226 /nfs/dbraw/zinc/15/52/26/1251155226.db2.gz QNOFWDRWYVGBRY-NQIIRXRSSA-N 1 3 349.478 2.682 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711335425 1251342887 /nfs/dbraw/zinc/34/28/87/1251342887.db2.gz AHEAXWADDPGMFI-LMNJBCLMSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](CCN[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[NH+](C)C ZINC000720724384 1251380121 /nfs/dbraw/zinc/38/01/21/1251380121.db2.gz JZYNVZSYSCGSAI-FUHWJXTLSA-N 1 3 333.476 2.717 20 0 EFADHO C[C@@H](CC[NH2+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1)N(C)C ZINC000720724384 1251380132 /nfs/dbraw/zinc/38/01/32/1251380132.db2.gz JZYNVZSYSCGSAI-FUHWJXTLSA-N 1 3 333.476 2.717 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)C1 ZINC001003968780 1265640544 /nfs/dbraw/zinc/64/05/44/1265640544.db2.gz UPVIXZNCCSYAJX-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)C1 ZINC001003968780 1265640547 /nfs/dbraw/zinc/64/05/47/1265640547.db2.gz UPVIXZNCCSYAJX-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC001106910799 1252440302 /nfs/dbraw/zinc/44/03/02/1252440302.db2.gz PAMYWKWWHNMATB-UYAOXDASSA-N 1 3 345.531 2.563 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484359644 1252445307 /nfs/dbraw/zinc/44/53/07/1252445307.db2.gz XPDGYBUQIBXRCN-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807261 1252765074 /nfs/dbraw/zinc/76/50/74/1252765074.db2.gz XTDGDRZSDFIRSR-OKYOBFRVSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807261 1252765077 /nfs/dbraw/zinc/76/50/77/1252765077.db2.gz XTDGDRZSDFIRSR-OKYOBFRVSA-N 1 3 347.547 2.828 20 0 EFADHO CN(CCC[N@H+](C)C/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001484736701 1252871915 /nfs/dbraw/zinc/87/19/15/1252871915.db2.gz PIVWLGTWSMZHIC-DIBVOSKASA-N 1 3 329.488 2.574 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001484736701 1252871925 /nfs/dbraw/zinc/87/19/25/1252871925.db2.gz PIVWLGTWSMZHIC-DIBVOSKASA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003983570 1265686436 /nfs/dbraw/zinc/68/64/36/1265686436.db2.gz OQANHMDBZDDXNU-OAHLLOKOSA-N 1 3 345.462 2.563 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995801936 1254711920 /nfs/dbraw/zinc/71/19/20/1254711920.db2.gz LSTFCWKYODXQQH-MOPGFXCFSA-N 1 3 343.515 2.886 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)CCC1 ZINC000995885289 1254832329 /nfs/dbraw/zinc/83/23/29/1254832329.db2.gz HVYQIFUDMPMLKQ-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)C1CCC1 ZINC000995917613 1254841499 /nfs/dbraw/zinc/84/14/99/1254841499.db2.gz LJUBNWFJPXJTAT-SFHVURJKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)N(C)C ZINC000995922606 1254843650 /nfs/dbraw/zinc/84/36/50/1254843650.db2.gz FXFVQEWHLVYRKP-ROUUACIJSA-N 1 3 335.536 2.900 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CCC1 ZINC000995914816 1254854104 /nfs/dbraw/zinc/85/41/04/1254854104.db2.gz GDHGVRJJEZPFJI-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2C)C(C)(C)C1)N(C)C ZINC000995946190 1254861682 /nfs/dbraw/zinc/86/16/82/1254861682.db2.gz GZSLOVKTBKBSTK-MSOLQXFVSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2C)C(C)(C)C1)N(C)C ZINC000995952758 1254879801 /nfs/dbraw/zinc/87/98/01/1254879801.db2.gz RZPZAMVPBOYERL-MSOLQXFVSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)N(C)C ZINC000996250825 1255128484 /nfs/dbraw/zinc/12/84/84/1255128484.db2.gz YYQZZXBQQUTZPH-DLBZAZTESA-N 1 3 337.552 2.835 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)CC1(C)C ZINC000996250766 1255128783 /nfs/dbraw/zinc/12/87/83/1255128783.db2.gz XNPVFWPEHJUFRK-RTBURBONSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)CC2(C)C)c1 ZINC000996299665 1255183392 /nfs/dbraw/zinc/18/33/92/1255183392.db2.gz BYAKRESWSWNNMA-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN3CC[C@H](C)C3)CC2(C)C)c1 ZINC000996299664 1255183752 /nfs/dbraw/zinc/18/37/52/1255183752.db2.gz BYAKRESWSWNNMA-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996300450 1255184992 /nfs/dbraw/zinc/18/49/92/1255184992.db2.gz MLBCPZLPMLURQM-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)CC1(C)C ZINC000996299888 1255185135 /nfs/dbraw/zinc/18/51/35/1255185135.db2.gz GGPGNPIWXSPMGN-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000996299904 1255185392 /nfs/dbraw/zinc/18/53/92/1255185392.db2.gz GNXFOZHHXCABOY-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@H]([NH2+]Cc3ccsc3)C(C)(C)C2)C1 ZINC000996310268 1255195878 /nfs/dbraw/zinc/19/58/78/1255195878.db2.gz LPCYLAPQZBQPCX-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)C(C)(C)C1)N(C)C ZINC000996312992 1255196567 /nfs/dbraw/zinc/19/65/67/1255196567.db2.gz BWQMPPWQHSHDNH-JKSUJKDBSA-N 1 3 337.533 2.723 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353563 1255240002 /nfs/dbraw/zinc/24/00/02/1255240002.db2.gz AORLBLYGAAASBO-YJBOKZPZSA-N 1 3 340.471 2.848 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000996356152 1255242856 /nfs/dbraw/zinc/24/28/56/1255242856.db2.gz PITBCXBYTOIILI-QGZVFWFLSA-N 1 3 346.519 2.995 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996378138 1255259575 /nfs/dbraw/zinc/25/95/75/1255259575.db2.gz FMSGPZZUWGANIM-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616760 1255575529 /nfs/dbraw/zinc/57/55/29/1255575529.db2.gz UFTWGRVWSQEYTA-NVXWUHKLSA-N 1 3 349.906 2.618 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCc3ccccc3Cl)C(C)(C)C2)C1 ZINC000996616760 1255575531 /nfs/dbraw/zinc/57/55/31/1255575531.db2.gz UFTWGRVWSQEYTA-NVXWUHKLSA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]CC3CC4(CCC4)C3)CC2)CCC1 ZINC000996664707 1255699043 /nfs/dbraw/zinc/69/90/43/1255699043.db2.gz LUPTVLBUZUQZOE-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996665670 1255703335 /nfs/dbraw/zinc/70/33/35/1255703335.db2.gz OJJZAOLVIMLULC-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC000996673870 1255706594 /nfs/dbraw/zinc/70/65/94/1255706594.db2.gz YDIGMEYEWNMTJD-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996669452 1255713135 /nfs/dbraw/zinc/71/31/35/1255713135.db2.gz HERYVEPFDOZZHC-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC000996675064 1255721978 /nfs/dbraw/zinc/72/19/78/1255721978.db2.gz DZUMDGRNCUZWQQ-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996675811 1255723195 /nfs/dbraw/zinc/72/31/95/1255723195.db2.gz IIEHYORYVRCPGZ-IAGOWNOFSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c(C)c1 ZINC000996675174 1255723362 /nfs/dbraw/zinc/72/33/62/1255723362.db2.gz FKRZUDRMYIYTQQ-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996675819 1255723809 /nfs/dbraw/zinc/72/38/09/1255723809.db2.gz IIEHYORYVRCPGZ-SJORKVTESA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996676760 1255726306 /nfs/dbraw/zinc/72/63/06/1255726306.db2.gz IDCRJNDSERMTJA-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CC1CCC(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000996678303 1255728012 /nfs/dbraw/zinc/72/80/12/1255728012.db2.gz LZUJEYJPJHLYMY-LADRWXRNSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000996680835 1255733987 /nfs/dbraw/zinc/73/39/87/1255733987.db2.gz VKXZLIGVNYDFSY-BEFAXECRSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000996680838 1255734427 /nfs/dbraw/zinc/73/44/27/1255734427.db2.gz VKXZLIGVNYDFSY-DNVCBOLYSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996680950 1255735152 /nfs/dbraw/zinc/73/51/52/1255735152.db2.gz WZULKORBIUMIQL-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1F ZINC000996681238 1255735561 /nfs/dbraw/zinc/73/55/61/1255735561.db2.gz YIFZYWQPIQOPPS-IFXJQAMLSA-N 1 3 347.478 2.808 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996688401 1255747434 /nfs/dbraw/zinc/74/74/34/1255747434.db2.gz PLFHCFJZZRSBTO-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC000996710213 1255787574 /nfs/dbraw/zinc/78/75/74/1255787574.db2.gz AJAKEQGECCPMAT-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCC2(F)F)CC1)N(C)C ZINC000996710327 1255787626 /nfs/dbraw/zinc/78/76/26/1255787626.db2.gz CCTVJNWYDVMKQK-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1)N(C)C ZINC000996711866 1255813069 /nfs/dbraw/zinc/81/30/69/1255813069.db2.gz MJFCSHHKBPGKLO-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1)N(C)C ZINC000996712394 1255815152 /nfs/dbraw/zinc/81/51/52/1255815152.db2.gz NRTOOBSWKXSZLO-CQSZACIVSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1)N(C)C ZINC000996712428 1255816944 /nfs/dbraw/zinc/81/69/44/1255816944.db2.gz OJVAIOJQCVFUAC-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC000996713400 1255822963 /nfs/dbraw/zinc/82/29/63/1255822963.db2.gz UTXCLYQFPPKHDC-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439388 1255824564 /nfs/dbraw/zinc/82/45/64/1255824564.db2.gz YXAWLZNBTASCSO-UYAOXDASSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439388 1255824577 /nfs/dbraw/zinc/82/45/77/1255824577.db2.gz YXAWLZNBTASCSO-UYAOXDASSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)N1CCCC1 ZINC001107495265 1255976691 /nfs/dbraw/zinc/97/66/91/1255976691.db2.gz MGOOUHQOIADAPO-YLJYHZDGSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)N1CCCC1 ZINC001107495265 1255976697 /nfs/dbraw/zinc/97/66/97/1255976697.db2.gz MGOOUHQOIADAPO-YLJYHZDGSA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccc1F)CC2 ZINC001107530882 1256064541 /nfs/dbraw/zinc/06/45/41/1256064541.db2.gz QMXBBPMZUJWWJA-UYAOXDASSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2 ZINC001107547473 1256109162 /nfs/dbraw/zinc/10/91/62/1256109162.db2.gz OVJLHJUPKBUHPB-OHWGGAFBSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001107547473 1256109172 /nfs/dbraw/zinc/10/91/72/1256109172.db2.gz OVJLHJUPKBUHPB-OHWGGAFBSA-N 1 3 339.911 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2)N(C)C ZINC001107555090 1256121337 /nfs/dbraw/zinc/12/13/37/1256121337.db2.gz STLAXAWHXLQFCV-NLWGTHIKSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2)N(C)C ZINC001107555090 1256121344 /nfs/dbraw/zinc/12/13/44/1256121344.db2.gz STLAXAWHXLQFCV-NLWGTHIKSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)NC[C@]12CCC[C@H]1N(CCF)CC2)[NH+]1CCCCCC1 ZINC001107567162 1256155627 /nfs/dbraw/zinc/15/56/27/1256155627.db2.gz LWUDXLJSWFKEPF-ZHALLVOQSA-N 1 3 339.499 2.581 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(F)(F)F)CC2 ZINC001107615197 1256302501 /nfs/dbraw/zinc/30/25/01/1256302501.db2.gz XBNQDINCVNQVBT-GDBMZVCRSA-N 1 3 349.441 2.641 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(F)(F)F)CC2 ZINC001107615197 1256302505 /nfs/dbraw/zinc/30/25/05/1256302505.db2.gz XBNQDINCVNQVBT-GDBMZVCRSA-N 1 3 349.441 2.641 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001107617491 1256307191 /nfs/dbraw/zinc/30/71/91/1256307191.db2.gz JZMKTNOIMLBZSX-IEBWSBKVSA-N 1 3 349.544 2.951 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2 ZINC001107617491 1256307197 /nfs/dbraw/zinc/30/71/97/1256307197.db2.gz JZMKTNOIMLBZSX-IEBWSBKVSA-N 1 3 349.544 2.951 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000325434836 1256453003 /nfs/dbraw/zinc/45/30/03/1256453003.db2.gz BEPXZBGVBXHGQC-IPMKNSEASA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000996993368 1256636435 /nfs/dbraw/zinc/63/64/35/1256636435.db2.gz DBERQPGKSFYPTJ-QGZVFWFLSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000996994368 1256639175 /nfs/dbraw/zinc/63/91/75/1256639175.db2.gz HRRNBJFQSJDQGX-KRWDZBQOSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000996994371 1256641377 /nfs/dbraw/zinc/64/13/77/1256641377.db2.gz HRRNBJFQSJDQGX-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC000996998549 1256652457 /nfs/dbraw/zinc/65/24/57/1256652457.db2.gz KOVYZYADGPYTFF-CQSZACIVSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)c(C)s1 ZINC000996998926 1256653977 /nfs/dbraw/zinc/65/39/77/1256653977.db2.gz KUWFVLSSJPTAJO-AWEZNQCLSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(CF)cc3)CC2)C1 ZINC000997004720 1256664888 /nfs/dbraw/zinc/66/48/88/1256664888.db2.gz GEDBXMKHSHHGKR-MRXNPFEDSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccc(F)cc1 ZINC000997005169 1256665965 /nfs/dbraw/zinc/66/59/65/1256665965.db2.gz HLYNGWSNDFDNQV-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC([NH2+]CC3CCC3)CC2)C1 ZINC000997005605 1256666631 /nfs/dbraw/zinc/66/66/31/1256666631.db2.gz IVVCOWDMTBBFMF-LJQANCHMSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC3CCC4(CC4)CC3)CC2)C1 ZINC000997006542 1256668590 /nfs/dbraw/zinc/66/85/90/1256668590.db2.gz MRUHQFDVIULSLR-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1F ZINC000997007290 1256671629 /nfs/dbraw/zinc/67/16/29/1256671629.db2.gz PNTGBPLMUREUDB-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000997003411 1256676792 /nfs/dbraw/zinc/67/67/92/1256676792.db2.gz BHABTVNPYFQFTF-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1cccc(F)c1 ZINC000997009290 1256681505 /nfs/dbraw/zinc/68/15/05/1256681505.db2.gz ZJDGFAXELWIHAE-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C)ccc2F)CC1)N(C)C ZINC000997013841 1256687794 /nfs/dbraw/zinc/68/77/94/1256687794.db2.gz DRCQYCJLMYTPFL-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC000997014706 1256687813 /nfs/dbraw/zinc/68/78/13/1256687813.db2.gz JGRMSAVUJBBSFJ-KXBFYZLASA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000997037127 1256721524 /nfs/dbraw/zinc/72/15/24/1256721524.db2.gz UEKOMNMXQWJQCW-JKSUJKDBSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997042435 1256729296 /nfs/dbraw/zinc/72/92/96/1256729296.db2.gz PNHKHNLQFXLTNC-UHFFFAOYSA-N 1 3 346.862 2.695 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997070934 1256791318 /nfs/dbraw/zinc/79/13/18/1256791318.db2.gz DNKMUZJHSXPGDD-RDQHTGABSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997070934 1256791325 /nfs/dbraw/zinc/79/13/25/1256791325.db2.gz DNKMUZJHSXPGDD-RDQHTGABSA-N 1 3 341.927 2.828 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)C1 ZINC001004150860 1266078342 /nfs/dbraw/zinc/07/83/42/1266078342.db2.gz VBQGTRXCDHKWFW-LJQANCHMSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(Cc3ccc(C4CC4)cc3)CC2)C1 ZINC001004150860 1266078347 /nfs/dbraw/zinc/07/83/47/1266078347.db2.gz VBQGTRXCDHKWFW-LJQANCHMSA-N 1 3 341.499 2.596 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC000997114361 1256946819 /nfs/dbraw/zinc/94/68/19/1256946819.db2.gz ACHQVRSSUPHZNJ-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150372 1266076734 /nfs/dbraw/zinc/07/67/34/1266076734.db2.gz RTERSZQZKQSJOR-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150372 1266076739 /nfs/dbraw/zinc/07/67/39/1266076739.db2.gz RTERSZQZKQSJOR-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004150371 1266076772 /nfs/dbraw/zinc/07/67/72/1266076772.db2.gz RTERSZQZKQSJOR-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004150371 1266076779 /nfs/dbraw/zinc/07/67/79/1266076779.db2.gz RTERSZQZKQSJOR-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001032407080 1257131893 /nfs/dbraw/zinc/13/18/93/1257131893.db2.gz BHCHSYZLSWKHCO-UFYCRDLUSA-N 1 3 345.531 2.584 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@@H+]1C ZINC001032411965 1257189599 /nfs/dbraw/zinc/18/95/99/1257189599.db2.gz DSUYKWSRFRFSBO-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@H+]1C ZINC001032411965 1257189603 /nfs/dbraw/zinc/18/96/03/1257189603.db2.gz DSUYKWSRFRFSBO-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@@H+]1C ZINC001032413413 1257212005 /nfs/dbraw/zinc/21/20/05/1257212005.db2.gz HSEBQQACFALHJU-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC[N@H+]1C ZINC001032413413 1257212009 /nfs/dbraw/zinc/21/20/09/1257212009.db2.gz HSEBQQACFALHJU-CADBVGFASA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@@H+]1C ZINC001032413965 1257212817 /nfs/dbraw/zinc/21/28/17/1257212817.db2.gz VWCFFFZKQZIAGB-LWYYNNOASA-N 1 3 345.531 2.892 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)CC[N@H+]1C ZINC001032413965 1257212823 /nfs/dbraw/zinc/21/28/23/1257212823.db2.gz VWCFFFZKQZIAGB-LWYYNNOASA-N 1 3 345.531 2.892 20 0 EFADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997279917 1257341962 /nfs/dbraw/zinc/34/19/62/1257341962.db2.gz QGYPTKGCYIOXGD-MVJTYMMSSA-N 1 3 341.515 2.682 20 0 EFADHO CC[C@H](F)CN1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997279917 1257341971 /nfs/dbraw/zinc/34/19/71/1257341971.db2.gz QGYPTKGCYIOXGD-MVJTYMMSSA-N 1 3 341.515 2.682 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306576 1257385696 /nfs/dbraw/zinc/38/56/96/1257385696.db2.gz FMWHSAOSCIHYDQ-KRWDZBQOSA-N 1 3 329.488 2.732 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000997365337 1257454079 /nfs/dbraw/zinc/45/40/79/1257454079.db2.gz RLUGYMHKWMDBOV-LJQANCHMSA-N 1 3 347.478 2.781 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000997365348 1257454430 /nfs/dbraw/zinc/45/44/30/1257454430.db2.gz RYVDEUKYFIWPGQ-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC000997367226 1257456660 /nfs/dbraw/zinc/45/66/60/1257456660.db2.gz YNTLZBURQUDSRH-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001485828466 1257543819 /nfs/dbraw/zinc/54/38/19/1257543819.db2.gz VRUQBZPWRNJDBZ-LEOMRAHMSA-N 1 3 337.552 2.837 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001410472431 1266133682 /nfs/dbraw/zinc/13/36/82/1266133682.db2.gz FASFLYCQKVBALI-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccccc1Cl ZINC001410472431 1266133684 /nfs/dbraw/zinc/13/36/84/1266133684.db2.gz FASFLYCQKVBALI-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO O=C(c1ccn2cncc2c1)N1C[C@@H]2C[C@H]1CN2CC1=CCCCC1 ZINC001032499562 1257966470 /nfs/dbraw/zinc/96/64/70/1257966470.db2.gz CGKICFBSIXRJSL-OALUTQOASA-N 1 3 336.439 2.733 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1CN2CC1=CCCCC1 ZINC001032499562 1257966475 /nfs/dbraw/zinc/96/64/75/1257966475.db2.gz CGKICFBSIXRJSL-OALUTQOASA-N 1 3 336.439 2.733 20 0 EFADHO O=C(c1ccn2cncc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001032499562 1257966479 /nfs/dbraw/zinc/96/64/79/1257966479.db2.gz CGKICFBSIXRJSL-OALUTQOASA-N 1 3 336.439 2.733 20 0 EFADHO O=C(c1ccn2cncc2c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001032499562 1257966483 /nfs/dbraw/zinc/96/64/83/1257966483.db2.gz CGKICFBSIXRJSL-OALUTQOASA-N 1 3 336.439 2.733 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H](CC[NH3+])c2ccccc21)N1CCCCC1 ZINC001649046046 1257974326 /nfs/dbraw/zinc/97/43/26/1257974326.db2.gz QWMYRKMLXFGSEP-LPHOPBHVSA-N 1 3 329.488 2.976 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997586154 1258062853 /nfs/dbraw/zinc/06/28/53/1258062853.db2.gz DNKMUZJHSXPGDD-MUMZPTDHSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997586154 1258062863 /nfs/dbraw/zinc/06/28/63/1258062863.db2.gz DNKMUZJHSXPGDD-MUMZPTDHSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997586156 1258062892 /nfs/dbraw/zinc/06/28/92/1258062892.db2.gz DNKMUZJHSXPGDD-SKLZBEMCSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C/Cl)CC1 ZINC000997586156 1258062898 /nfs/dbraw/zinc/06/28/98/1258062898.db2.gz DNKMUZJHSXPGDD-SKLZBEMCSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997586659 1258064216 /nfs/dbraw/zinc/06/42/16/1258064216.db2.gz FVOUAARXNGHREY-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997606322 1258103202 /nfs/dbraw/zinc/10/32/02/1258103202.db2.gz JKWQFRHSDYCFAP-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997608250 1258105967 /nfs/dbraw/zinc/10/59/67/1258105967.db2.gz SSOWTSXDUIUJRR-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000997608789 1258108166 /nfs/dbraw/zinc/10/81/66/1258108166.db2.gz WTYSKZRWPOGANV-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC000997612608 1258110964 /nfs/dbraw/zinc/11/09/64/1258110964.db2.gz JXQAXWYFWPQJDG-DNVCBOLYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000997615875 1258118312 /nfs/dbraw/zinc/11/83/12/1258118312.db2.gz XFKDKKXCPXLRCY-BEFAXECRSA-N 1 3 347.478 2.809 20 0 EFADHO CCC1(Nc2ccc(CN3CCN(C(C)C)CC3)cc2F)C[NH2+]C1 ZINC001168587783 1258175243 /nfs/dbraw/zinc/17/52/43/1258175243.db2.gz VYUQWBSACMRBGT-UHFFFAOYSA-N 1 3 334.483 2.516 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032540005 1258274746 /nfs/dbraw/zinc/27/47/46/1258274746.db2.gz NFULBXJLQPBZSM-OALUTQOASA-N 1 3 343.515 2.736 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cncc([C@@H]2CN3CCC2CC3)n1 ZINC001168596242 1258383796 /nfs/dbraw/zinc/38/37/96/1258383796.db2.gz HJLYZFYUYCTWJZ-RYRKJORJSA-N 1 3 329.492 2.571 20 0 EFADHO CCc1cc(Br)ccc1CN1CCC[C@](O)(C[NH3+])CC1 ZINC001205247397 1258504533 /nfs/dbraw/zinc/50/45/33/1258504533.db2.gz GOYFEJLZMJBBRB-MRXNPFEDSA-N 1 3 341.293 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000997831997 1258505364 /nfs/dbraw/zinc/50/53/64/1258505364.db2.gz XBQCATRBYIGTRT-LJQANCHMSA-N 1 3 347.547 2.735 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1)C1CCC1 ZINC000997831060 1258509052 /nfs/dbraw/zinc/50/90/52/1258509052.db2.gz PNDIORFYONLFCK-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1)N(C)C ZINC000997844932 1258517280 /nfs/dbraw/zinc/51/72/80/1258517280.db2.gz RLHFUNBLLNERNH-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC000997855122 1258528968 /nfs/dbraw/zinc/52/89/68/1258528968.db2.gz LQPZHBTZDVKUJW-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cccc(C)c2)CC1)N(C)C ZINC000997856357 1258529979 /nfs/dbraw/zinc/52/99/79/1258529979.db2.gz URJYOFZALMYWGU-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC000997854382 1258533095 /nfs/dbraw/zinc/53/30/95/1258533095.db2.gz CPQHUMIIMBMCNI-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]CC2CCC(C)CC2)CC1)N(C)C ZINC000997854626 1258533575 /nfs/dbraw/zinc/53/35/75/1258533575.db2.gz HDDKLNRIHCUSKG-FAFZWHIHSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC000997857059 1258540719 /nfs/dbraw/zinc/54/07/19/1258540719.db2.gz VJQJXMYIOUMVBX-QGZVFWFLSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1)N(C)C ZINC000997857233 1258540903 /nfs/dbraw/zinc/54/09/03/1258540903.db2.gz YWIXZOKVFLKNJY-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CCCF)CC1 ZINC000997872354 1258556623 /nfs/dbraw/zinc/55/66/23/1258556623.db2.gz TZQDTFMUQJMKOI-INIZCTEOSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001004201870 1266208583 /nfs/dbraw/zinc/20/85/83/1266208583.db2.gz RMWZZOGYVMWCGE-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000997949452 1258825527 /nfs/dbraw/zinc/82/55/27/1258825527.db2.gz NDBIRYPPJQWNDK-LSDHHAIUSA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000997949452 1258825535 /nfs/dbraw/zinc/82/55/35/1258825535.db2.gz NDBIRYPPJQWNDK-LSDHHAIUSA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000997949912 1258826852 /nfs/dbraw/zinc/82/68/52/1258826852.db2.gz QAOFGBSJPQUUDI-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000997949912 1258826856 /nfs/dbraw/zinc/82/68/56/1258826856.db2.gz QAOFGBSJPQUUDI-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000998080524 1259082339 /nfs/dbraw/zinc/08/23/39/1259082339.db2.gz CENBGFDEULBSCA-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC000998080497 1259082634 /nfs/dbraw/zinc/08/26/34/1259082634.db2.gz BENQKOUFNVRZHP-JLAWEPINSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000998083747 1259087625 /nfs/dbraw/zinc/08/76/25/1259087625.db2.gz XPPWPAFQVLCZPU-SFHVURJKSA-N 1 3 343.515 2.665 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000998092770 1259100625 /nfs/dbraw/zinc/10/06/25/1259100625.db2.gz FZGKEWAEIFVAQA-HQWZXOHUSA-N 1 3 341.927 2.784 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000998117409 1259132641 /nfs/dbraw/zinc/13/26/41/1259132641.db2.gz ZOVKYWFUKASPLO-UHFFFAOYSA-N 1 3 346.862 2.634 20 0 EFADHO CC1CCN(CC(=O)N2CCC(C[NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC000998175555 1259194999 /nfs/dbraw/zinc/19/49/99/1259194999.db2.gz KUJFJJNIIFIMDZ-UHFFFAOYSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCCN(C/C=C/Cl)CC1 ZINC000998176668 1259196406 /nfs/dbraw/zinc/19/64/06/1259196406.db2.gz MLJJSUQGXBXRKD-UFNQUYMESA-N 1 3 339.911 2.538 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188849 1259210601 /nfs/dbraw/zinc/21/06/01/1259210601.db2.gz KXFDRUOZUNMGPE-GJZGRUSLSA-N 1 3 349.441 2.594 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188849 1259210605 /nfs/dbraw/zinc/21/06/05/1259210605.db2.gz KXFDRUOZUNMGPE-GJZGRUSLSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)N(C)C ZINC001032611297 1259291891 /nfs/dbraw/zinc/29/18/91/1259291891.db2.gz HHWIVIYPDCSHLM-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)N(C)C ZINC001032611297 1259291896 /nfs/dbraw/zinc/29/18/96/1259291896.db2.gz HHWIVIYPDCSHLM-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998268669 1259348439 /nfs/dbraw/zinc/34/84/39/1259348439.db2.gz HYQIREZWTZNORU-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000998269324 1259353750 /nfs/dbraw/zinc/35/37/50/1259353750.db2.gz MKCBZFRMSCLZTQ-KRWDZBQOSA-N 1 3 329.488 2.672 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998290704 1259389426 /nfs/dbraw/zinc/38/94/26/1259389426.db2.gz WYPKAVCNSIEOJB-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1 ZINC001032626944 1259425193 /nfs/dbraw/zinc/42/51/93/1259425193.db2.gz PDFNKLAKFRCVJX-NEWSRXKRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1 ZINC001032626944 1259425195 /nfs/dbraw/zinc/42/51/95/1259425195.db2.gz PDFNKLAKFRCVJX-NEWSRXKRSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998549056 1259675566 /nfs/dbraw/zinc/67/55/66/1259675566.db2.gz JZCNVKLEEFTMHR-ABHNRTSZSA-N 1 3 349.906 2.822 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000998550708 1259677107 /nfs/dbraw/zinc/67/71/07/1259677107.db2.gz OSLHDBSEJOJQSU-SOAGJPPSSA-N 1 3 341.499 2.737 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998552940 1259677951 /nfs/dbraw/zinc/67/79/51/1259677951.db2.gz URTSMCZVKOKOOX-QLOJAFMTSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CCCCC1 ZINC001036579710 1259732036 /nfs/dbraw/zinc/73/20/36/1259732036.db2.gz QLDCONLTUUUMRJ-YJBOKZPZSA-N 1 3 332.492 2.749 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CCCCC1 ZINC001036579707 1259732283 /nfs/dbraw/zinc/73/22/83/1259732283.db2.gz QLDCONLTUUUMRJ-CRAIPNDOSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001036580016 1259733009 /nfs/dbraw/zinc/73/30/09/1259733009.db2.gz WFDOVONFTLSLKN-LPHOPBHVSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001036580015 1259733401 /nfs/dbraw/zinc/73/34/01/1259733401.db2.gz WFDOVONFTLSLKN-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001036580153 1259733651 /nfs/dbraw/zinc/73/36/51/1259733651.db2.gz XYQFWHIDKCIOLL-QAPCUYQASA-N 1 3 344.503 2.749 20 0 EFADHO C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001036580012 1259733664 /nfs/dbraw/zinc/73/36/64/1259733664.db2.gz WEKABABDLGCESQ-RHSMWYFYSA-N 1 3 332.492 2.605 20 0 EFADHO CC(C)[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001036599785 1259746447 /nfs/dbraw/zinc/74/64/47/1259746447.db2.gz PMCMNVRDADSGPZ-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000708587032 1259773033 /nfs/dbraw/zinc/77/30/33/1259773033.db2.gz UCKXVQVSJXBIQP-XIKSMUEASA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000708587032 1259773040 /nfs/dbraw/zinc/77/30/40/1259773040.db2.gz UCKXVQVSJXBIQP-XIKSMUEASA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000708587032 1259773044 /nfs/dbraw/zinc/77/30/44/1259773044.db2.gz UCKXVQVSJXBIQP-XIKSMUEASA-N 1 3 332.488 2.537 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998764778 1259923975 /nfs/dbraw/zinc/92/39/75/1259923975.db2.gz VGOJZJMWPIOGFS-TVPLGVNVSA-N 1 3 347.478 2.778 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998764778 1259923980 /nfs/dbraw/zinc/92/39/80/1259923980.db2.gz VGOJZJMWPIOGFS-TVPLGVNVSA-N 1 3 347.478 2.778 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCCN3C)C2)c1 ZINC000998995962 1260130337 /nfs/dbraw/zinc/13/03/37/1260130337.db2.gz WUMRQJQEHGAKMD-FAFZWHIHSA-N 1 3 347.478 2.697 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000999142972 1260250258 /nfs/dbraw/zinc/25/02/58/1260250258.db2.gz FCEXQUONCPQCDM-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000999146091 1260253144 /nfs/dbraw/zinc/25/31/44/1260253144.db2.gz UZTJQILVNUWHGB-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999191349 1260334845 /nfs/dbraw/zinc/33/48/45/1260334845.db2.gz XQKKGPGKHAWDNM-BPQIPLTHSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC000999191349 1260334851 /nfs/dbraw/zinc/33/48/51/1260334851.db2.gz XQKKGPGKHAWDNM-BPQIPLTHSA-N 1 3 347.478 2.555 20 0 EFADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001032684875 1260426326 /nfs/dbraw/zinc/42/63/26/1260426326.db2.gz XBFLNDLBDBNQIH-YHZLUUAOSA-N 1 3 341.499 2.693 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000999346423 1260550405 /nfs/dbraw/zinc/55/04/05/1260550405.db2.gz FPAPSJRGGRWPBZ-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC000999348724 1260552156 /nfs/dbraw/zinc/55/21/56/1260552156.db2.gz PCLJQPJSEJWFOK-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)CCC1 ZINC000999349806 1260553282 /nfs/dbraw/zinc/55/32/82/1260553282.db2.gz VAPDEPOSTZNQNM-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999350012 1260553378 /nfs/dbraw/zinc/55/33/78/1260553378.db2.gz VSPZCCLXHQCJLH-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000999373188 1260557152 /nfs/dbraw/zinc/55/71/52/1260557152.db2.gz GJYLPIWOFXSKHY-MRXNPFEDSA-N 1 3 335.517 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000999362399 1260564044 /nfs/dbraw/zinc/56/40/44/1260564044.db2.gz AEEOHTQIEPVBIR-GOSISDBHSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000999363024 1260565712 /nfs/dbraw/zinc/56/57/12/1260565712.db2.gz FFODHPFFEMLDLZ-QAPCUYQASA-N 1 3 347.478 2.952 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000999365186 1260567568 /nfs/dbraw/zinc/56/75/68/1260567568.db2.gz PXRPOKXCWAVIFH-XLIONFOSSA-N 1 3 341.499 2.739 20 0 EFADHO CC1CCC(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000999366084 1260567718 /nfs/dbraw/zinc/56/77/18/1260567718.db2.gz UZHBCPNOROTSAP-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999366069 1260568299 /nfs/dbraw/zinc/56/82/99/1260568299.db2.gz UHWBTHOYSMEDBV-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000999368987 1260569128 /nfs/dbraw/zinc/56/91/28/1260569128.db2.gz IFUBQXIMGKVYQQ-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000999369600 1260570780 /nfs/dbraw/zinc/57/07/80/1260570780.db2.gz JMAFAYIZLWXUQL-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999370650 1260570854 /nfs/dbraw/zinc/57/08/54/1260570854.db2.gz KVOSYSGCJQZORW-RTBURBONSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999370680 1260570881 /nfs/dbraw/zinc/57/08/81/1260570881.db2.gz LEQVLICQPVUOOO-UYAOXDASSA-N 1 3 343.515 2.724 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](NCc2ccccc2Cl)C1)C1CC1 ZINC000999371998 1260571782 /nfs/dbraw/zinc/57/17/82/1260571782.db2.gz NUQAOXYOFGUSPM-FUHWJXTLSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC([NH2+]CC2CCC2)C1 ZINC000999398885 1260577851 /nfs/dbraw/zinc/57/78/51/1260577851.db2.gz BROPAFUXQKPSKU-LADRWXRNSA-N 1 3 339.499 2.578 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccc(F)cc2)C1 ZINC000999402677 1260596427 /nfs/dbraw/zinc/59/64/27/1260596427.db2.gz ITYOTCWZHWEXRE-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000999407341 1260600970 /nfs/dbraw/zinc/60/09/70/1260600970.db2.gz UIBLCWHJZASOMM-IPJUCJBFSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cc1F ZINC000999406208 1260601281 /nfs/dbraw/zinc/60/12/81/1260601281.db2.gz NSEBIVKJSPRRPS-FAEJEUNOSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1F ZINC000999408405 1260602675 /nfs/dbraw/zinc/60/26/75/1260602675.db2.gz KJLNZCQTGCIDKI-NNGSBXSVSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000999407877 1260602945 /nfs/dbraw/zinc/60/29/45/1260602945.db2.gz XQZVXDMFNAIGMY-IVMQYODDSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCCCC3)C2)C1 ZINC000999409780 1260604523 /nfs/dbraw/zinc/60/45/23/1260604523.db2.gz SOWFSDIMMXBIIE-IVMQYODDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000999432382 1260621851 /nfs/dbraw/zinc/62/18/51/1260621851.db2.gz FZLHJWOGMMOVJM-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000999434509 1260622605 /nfs/dbraw/zinc/62/26/05/1260622605.db2.gz NLXYJXUPSAGMCJ-OALUTQOASA-N 1 3 349.494 2.823 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC000999436193 1260624685 /nfs/dbraw/zinc/62/46/85/1260624685.db2.gz UTKXRSTYJCTCSO-MJGOQNOKSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999435864 1260625616 /nfs/dbraw/zinc/62/56/16/1260625616.db2.gz SVVKMMSYXIAWFQ-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999437579 1260626077 /nfs/dbraw/zinc/62/60/77/1260626077.db2.gz XNHPRTVKDGQNNY-MOPGFXCFSA-N 1 3 349.494 2.801 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000999467587 1260658323 /nfs/dbraw/zinc/65/83/23/1260658323.db2.gz CBTNNJIUCGDLMT-UHFFFAOYSA-N 1 3 332.492 2.748 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC000999468650 1260659388 /nfs/dbraw/zinc/65/93/88/1260659388.db2.gz HRICJWUYOFKLDR-OLJMKKDRSA-N 1 3 346.862 2.946 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC000999468654 1260660377 /nfs/dbraw/zinc/66/03/77/1260660377.db2.gz HRICJWUYOFKLDR-VWDMACCTSA-N 1 3 346.862 2.946 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000999475325 1260667923 /nfs/dbraw/zinc/66/79/23/1260667923.db2.gz WQCZIHJMEQIANU-UHFFFAOYSA-N 1 3 338.455 2.609 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC000999496792 1260686272 /nfs/dbraw/zinc/68/62/72/1260686272.db2.gz PGRGDBJJABJMCZ-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC000999490707 1260712965 /nfs/dbraw/zinc/71/29/65/1260712965.db2.gz SDIYMLMOIJKKJN-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000999492302 1260714472 /nfs/dbraw/zinc/71/44/72/1260714472.db2.gz ZYFXIWHXTDHRTP-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)CC3)C2)cs1 ZINC000999601715 1260763716 /nfs/dbraw/zinc/76/37/16/1260763716.db2.gz MOVPXIHNALVQGH-UHFFFAOYSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000999832145 1260944083 /nfs/dbraw/zinc/94/40/83/1260944083.db2.gz OSRGFMHLUBNWOS-GTPINHCMSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000999832145 1260944087 /nfs/dbraw/zinc/94/40/87/1260944087.db2.gz OSRGFMHLUBNWOS-GTPINHCMSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c(C)s1 ZINC000999832336 1260945087 /nfs/dbraw/zinc/94/50/87/1260945087.db2.gz FVCAUGVFJUTMGG-UHFFFAOYSA-N 1 3 335.517 2.540 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000999876842 1260964471 /nfs/dbraw/zinc/96/44/71/1260964471.db2.gz ULTGUDXZHJQEBL-CTWPCTMYSA-N 1 3 347.478 2.779 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000999876305 1260964823 /nfs/dbraw/zinc/96/48/23/1260964823.db2.gz LQSNSLNJUOEFMQ-CTWPCTMYSA-N 1 3 333.520 2.940 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999877085 1260966381 /nfs/dbraw/zinc/96/63/81/1260966381.db2.gz YUXQNSAVHHLVOS-ABHNRTSZSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033071158 1266377212 /nfs/dbraw/zinc/37/72/12/1266377212.db2.gz WGTWKLLHLCLBBL-SJLPKXTDSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033071158 1266377223 /nfs/dbraw/zinc/37/72/23/1266377223.db2.gz WGTWKLLHLCLBBL-SJLPKXTDSA-N 1 3 349.544 2.696 20 0 EFADHO O=C1C[C@@]2(CN1CC1CCCC1)CCCCN2CC1CC[NH2+]CC1 ZINC001273031153 1266382936 /nfs/dbraw/zinc/38/29/36/1266382936.db2.gz SOOACWVCSPZFHY-HXUWFJFHSA-N 1 3 333.520 2.633 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032727064 1261082038 /nfs/dbraw/zinc/08/20/38/1261082038.db2.gz WLVUGXMXIVCCNZ-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)C ZINC001032727064 1261082042 /nfs/dbraw/zinc/08/20/42/1261082042.db2.gz WLVUGXMXIVCCNZ-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)C1 ZINC001032731142 1261091813 /nfs/dbraw/zinc/09/18/13/1261091813.db2.gz ALSZEVYLWZOJKD-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)C1 ZINC001032731142 1261091816 /nfs/dbraw/zinc/09/18/16/1261091816.db2.gz ALSZEVYLWZOJKD-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@@H](C[NH2+]CC2CC2)C2CC2)c1 ZINC001485836655 1261292338 /nfs/dbraw/zinc/29/23/38/1261292338.db2.gz FVIMVLUJFSLTDB-IBGZPJMESA-N 1 3 329.488 2.598 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(CC3CCC3)c2)[C@H](C)C1 ZINC000921747452 1261355036 /nfs/dbraw/zinc/35/50/36/1261355036.db2.gz OVNXIWAYKJKPEP-XLIONFOSSA-N 1 3 348.535 2.910 20 0 EFADHO COc1ccc([C@@H]2C[C@H]([NH+]3CCC4(CN(C)C4)CC3)CCO2)cc1 ZINC001168665690 1261377139 /nfs/dbraw/zinc/37/71/39/1261377139.db2.gz SNYXXDAFKTXIBA-MJGOQNOKSA-N 1 3 330.472 2.943 20 0 EFADHO O[C@@H](CN1CCC2(C1)CC[NH2+]CC2)c1cccc(Br)c1 ZINC000923327922 1261463695 /nfs/dbraw/zinc/46/36/95/1261463695.db2.gz PHTDXAXRUWSSGK-HNNXBMFYSA-N 1 3 339.277 2.558 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000923330771 1261468687 /nfs/dbraw/zinc/46/86/87/1261468687.db2.gz IKVIAZRNCROCRH-SOLBZPMBSA-N 1 3 334.504 2.701 20 0 EFADHO COc1ccccc1CN1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923324683 1261476638 /nfs/dbraw/zinc/47/66/38/1261476638.db2.gz ZHXPVZOTQOWQEW-CTXDPNEZSA-N 1 3 343.515 2.734 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001033073036 1266412373 /nfs/dbraw/zinc/41/23/73/1266412373.db2.gz PSWRPMNUALCOHI-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001033073036 1266412374 /nfs/dbraw/zinc/41/23/74/1266412374.db2.gz PSWRPMNUALCOHI-VQTJNVASSA-N 1 3 343.515 2.901 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033074185 1266417965 /nfs/dbraw/zinc/41/79/65/1266417965.db2.gz XNHRRQFDJNDORF-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033074185 1266417968 /nfs/dbraw/zinc/41/79/68/1266417968.db2.gz XNHRRQFDJNDORF-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033074185 1266417973 /nfs/dbraw/zinc/41/79/73/1266417973.db2.gz XNHRRQFDJNDORF-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033074185 1266417978 /nfs/dbraw/zinc/41/79/78/1266417978.db2.gz XNHRRQFDJNDORF-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO Cc1nc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)sc1C ZINC000923370166 1261564234 /nfs/dbraw/zinc/56/42/34/1261564234.db2.gz DIGORBLBRVQOBM-ALOPSCKCSA-N 1 3 334.533 2.803 20 0 EFADHO [NH3+]C[C@H](NC[C@@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000923372963 1261573693 /nfs/dbraw/zinc/57/36/93/1261573693.db2.gz KNTPJHVEKADQAE-ZBFHGGJFSA-N 1 3 326.868 2.577 20 0 EFADHO C[C@@H]1CCCN(C[C@@H](O)COc2ccccc2Cl)[C@@H]1CC[NH3+] ZINC000923385795 1261594097 /nfs/dbraw/zinc/59/40/97/1261594097.db2.gz CXZIQDDSASKSNE-IIAWOOMASA-N 1 3 326.868 2.529 20 0 EFADHO CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899758 1261632014 /nfs/dbraw/zinc/63/20/14/1261632014.db2.gz OHISXFAIBLWYHI-KDURUIRLSA-N 1 3 329.488 2.552 20 0 EFADHO CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899758 1261632017 /nfs/dbraw/zinc/63/20/17/1261632017.db2.gz OHISXFAIBLWYHI-KDURUIRLSA-N 1 3 329.488 2.552 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000903968707 1261671221 /nfs/dbraw/zinc/67/12/21/1261671221.db2.gz ZRWLPTHQHNTXNT-FMKPAKJESA-N 1 3 337.895 2.522 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000923487494 1261745609 /nfs/dbraw/zinc/74/56/09/1261745609.db2.gz DPBKSPMPZSFREZ-NEPJUHHUSA-N 1 3 344.286 2.841 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)CN2CC[C@H](CC[NH3+])C2)cc1 ZINC000923487258 1261745762 /nfs/dbraw/zinc/74/57/62/1261745762.db2.gz BVTXUCSNZALYRC-AEFFLSMTSA-N 1 3 331.504 2.733 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(CN(C)C)c2)C1 ZINC001032800054 1261760872 /nfs/dbraw/zinc/76/08/72/1261760872.db2.gz SDIRTIMVQLRCSW-YHZLUUAOSA-N 1 3 341.499 2.693 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cccc(CN(C)C)c2)C1 ZINC001032800054 1261760875 /nfs/dbraw/zinc/76/08/75/1261760875.db2.gz SDIRTIMVQLRCSW-YHZLUUAOSA-N 1 3 341.499 2.693 20 0 EFADHO [NH3+]CC[C@@H]1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)C1 ZINC000923488538 1261766544 /nfs/dbraw/zinc/76/65/44/1261766544.db2.gz BXEHLIWCIVUWSV-CQSZACIVSA-N 1 3 328.435 2.671 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000923490069 1261770686 /nfs/dbraw/zinc/77/06/86/1261770686.db2.gz RFFPYSGZZKWAEY-NWDGAFQWSA-N 1 3 344.286 2.841 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000923490564 1261771616 /nfs/dbraw/zinc/77/16/16/1261771616.db2.gz HDWJNMFAKZSEPL-UZLBHIALSA-N 1 3 329.488 2.705 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923491124 1261773380 /nfs/dbraw/zinc/77/33/80/1261773380.db2.gz JHQPCUTUGDGHBH-YWZLYKJASA-N 1 3 347.478 2.844 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032801420 1261785393 /nfs/dbraw/zinc/78/53/93/1261785393.db2.gz VMLXIYSEXUYWOV-OALUTQOASA-N 1 3 345.531 2.728 20 0 EFADHO CC[C@H](NC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000923496758 1261785862 /nfs/dbraw/zinc/78/58/62/1261785862.db2.gz CWWQPDZUQYPCKI-QRTARXTBSA-N 1 3 337.895 2.824 20 0 EFADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCCN(CCC(F)(F)F)CC1 ZINC000948742448 1261806844 /nfs/dbraw/zinc/80/68/44/1261806844.db2.gz JTQKDRKSHPFVNF-OAHLLOKOSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032804057 1261823643 /nfs/dbraw/zinc/82/36/43/1261823643.db2.gz VMCGDSLMAJCYKB-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)[NH+]1CCCCC1 ZINC001032803805 1261847694 /nfs/dbraw/zinc/84/76/94/1261847694.db2.gz MBORZKJXJVVRCR-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)N2CCCCC2)C12CCC2 ZINC001078627450 1262075449 /nfs/dbraw/zinc/07/54/49/1262075449.db2.gz YWHUGHKEXQTQTF-IRXDYDNUSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CCC2CC2)C12CCC2)N1CCCC1 ZINC001078695597 1262224153 /nfs/dbraw/zinc/22/41/53/1262224153.db2.gz OPBJICRUKGBHQA-DLBZAZTESA-N 1 3 333.520 2.678 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)N1CCCC1 ZINC001078695598 1262224660 /nfs/dbraw/zinc/22/46/60/1262224660.db2.gz OPBJICRUKGBHQA-IAGOWNOFSA-N 1 3 333.520 2.678 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001078819480 1262363725 /nfs/dbraw/zinc/36/37/25/1262363725.db2.gz OEMSEEQQHQEDSU-RTBURBONSA-N 1 3 341.499 2.789 20 0 EFADHO CC(C)[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078819789 1262363810 /nfs/dbraw/zinc/36/38/10/1262363810.db2.gz RKZHVLABUBBHHM-ZWKOTPCHSA-N 1 3 329.488 2.787 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001485947135 1262514552 /nfs/dbraw/zinc/51/45/52/1262514552.db2.gz NAKNYCBWGVYHDG-MFXDBKITSA-N 1 3 331.504 2.723 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001486183937 1262762326 /nfs/dbraw/zinc/76/23/26/1262762326.db2.gz OJUYWCMPKMRQAO-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@H]1C ZINC001486183937 1262762333 /nfs/dbraw/zinc/76/23/33/1262762333.db2.gz OJUYWCMPKMRQAO-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001486201911 1262786520 /nfs/dbraw/zinc/78/65/20/1262786520.db2.gz IGKHHODEZGSBFS-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001486210929 1262807542 /nfs/dbraw/zinc/80/75/42/1262807542.db2.gz RJUVKOWOOMBFJR-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H](CNCc2ccccc2F)C(C)(C)C)CC1 ZINC001486412707 1263038721 /nfs/dbraw/zinc/03/87/21/1263038721.db2.gz ZAMPSDJWQAPIAP-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CN(C)C3CCC3)C2)c1 ZINC001486466399 1263180591 /nfs/dbraw/zinc/18/05/91/1263180591.db2.gz IVZPXAVCUSZGPK-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001486466025 1263180918 /nfs/dbraw/zinc/18/09/18/1263180918.db2.gz XFMLCNPYOSOFEK-RWBZWWBESA-N 1 3 347.478 2.950 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1F ZINC001082557679 1263221124 /nfs/dbraw/zinc/22/11/24/1263221124.db2.gz YSIVLVHDIDJVGM-IIDMSEBBSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1C ZINC001082560095 1263222024 /nfs/dbraw/zinc/22/20/24/1263222024.db2.gz ZKFHULCMSWFUDP-NSISKUIASA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccc(F)cc1 ZINC001082557498 1263222105 /nfs/dbraw/zinc/22/21/05/1263222105.db2.gz JDTHBWUDIQDKML-IIDMSEBBSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001082557664 1263222267 /nfs/dbraw/zinc/22/22/67/1263222267.db2.gz XNZWKXUCNSKARV-ATZDWAIDSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccccc1F ZINC001082557680 1263222288 /nfs/dbraw/zinc/22/22/88/1263222288.db2.gz YSIVLVHDIDJVGM-RVKKMQEKSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001082559674 1263222322 /nfs/dbraw/zinc/22/23/22/1263222322.db2.gz MBRNCHONJASKGV-FSPWUOQZSA-N 1 3 349.906 2.617 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001082575298 1263228944 /nfs/dbraw/zinc/22/89/44/1263228944.db2.gz WZYIZYMQIMIALT-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082575294 1263229157 /nfs/dbraw/zinc/22/91/57/1263229157.db2.gz WWSHNVCVWCBLHX-RLLQIKCJSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724767 1263302816 /nfs/dbraw/zinc/30/28/16/1263302816.db2.gz ICEVVEYMKHVHBQ-ATZDWAIDSA-N 1 3 349.494 2.657 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C)c1 ZINC001082724839 1263302855 /nfs/dbraw/zinc/30/28/55/1263302855.db2.gz NWTDANXPJJSZQS-ATZDWAIDSA-N 1 3 349.494 2.657 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001082740756 1263313168 /nfs/dbraw/zinc/31/31/68/1263313168.db2.gz FKGVEILDBRIYLJ-QWFCFKBJSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001082742090 1263313297 /nfs/dbraw/zinc/31/32/97/1263313297.db2.gz QSCOGIDSBNKTCU-QKYXUNIQSA-N 1 3 343.515 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001082742621 1263313367 /nfs/dbraw/zinc/31/33/67/1263313367.db2.gz MKAZFMZTJRDELX-YQVWRLOYSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1C ZINC001082741397 1263314027 /nfs/dbraw/zinc/31/40/27/1263314027.db2.gz ZYQVOZFRTDCHNT-QWFCFKBJSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082741383 1263314995 /nfs/dbraw/zinc/31/49/95/1263314995.db2.gz ZIICOUUXGMLCTR-IIDMSEBBSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1NCc1ccccc1Cl ZINC001082741383 1263315006 /nfs/dbraw/zinc/31/50/06/1263315006.db2.gz ZIICOUUXGMLCTR-IIDMSEBBSA-N 1 3 349.906 2.761 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001082767100 1263327157 /nfs/dbraw/zinc/32/71/57/1263327157.db2.gz UIHJNUNBZFTPNE-ZTFGCOKTSA-N 1 3 326.444 2.540 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001082941653 1263423207 /nfs/dbraw/zinc/42/32/07/1263423207.db2.gz FECCMLWIKGVCDB-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001082942013 1263425546 /nfs/dbraw/zinc/42/55/46/1263425546.db2.gz ZCMQWIIDIXPTKY-MISYRCLQSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21 ZINC001084338282 1263830095 /nfs/dbraw/zinc/83/00/95/1263830095.db2.gz MDZQJJPYZDWQPE-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001084338282 1263830105 /nfs/dbraw/zinc/83/01/05/1263830105.db2.gz MDZQJJPYZDWQPE-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084421984 1263897182 /nfs/dbraw/zinc/89/71/82/1263897182.db2.gz HWNOPPUFSKZDPM-HSALFYBXSA-N 1 3 345.531 2.894 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001084421984 1263897190 /nfs/dbraw/zinc/89/71/90/1263897190.db2.gz HWNOPPUFSKZDPM-HSALFYBXSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001084429182 1263900571 /nfs/dbraw/zinc/90/05/71/1263900571.db2.gz QWBGIFVQQOTAPE-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001084429182 1263900578 /nfs/dbraw/zinc/90/05/78/1263900578.db2.gz QWBGIFVQQOTAPE-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084389048 1263904735 /nfs/dbraw/zinc/90/47/35/1263904735.db2.gz PXOIRNFWPCQUIQ-KZNAEPCWSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084389048 1263904740 /nfs/dbraw/zinc/90/47/40/1263904740.db2.gz PXOIRNFWPCQUIQ-KZNAEPCWSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001016330059 1264033469 /nfs/dbraw/zinc/03/34/69/1264033469.db2.gz PNLODCLNAPNERK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001016330059 1264033474 /nfs/dbraw/zinc/03/34/74/1264033474.db2.gz PNLODCLNAPNERK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663004 1264168834 /nfs/dbraw/zinc/16/88/34/1264168834.db2.gz HKTBAEQTLDKPDA-MDZRGWNJSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663004 1264168838 /nfs/dbraw/zinc/16/88/38/1264168838.db2.gz HKTBAEQTLDKPDA-MDZRGWNJSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751784 1264311581 /nfs/dbraw/zinc/31/15/81/1264311581.db2.gz DDJQTMAPTRMMAV-RTBURBONSA-N 1 3 333.520 2.606 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776048 1264376196 /nfs/dbraw/zinc/37/61/96/1264376196.db2.gz GFOSAWBRPVWHIO-HUUCEWRRSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)[C@@H]2C1 ZINC001084776048 1264376202 /nfs/dbraw/zinc/37/62/02/1264376202.db2.gz GFOSAWBRPVWHIO-HUUCEWRRSA-N 1 3 332.492 2.656 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852340 1264532599 /nfs/dbraw/zinc/53/25/99/1264532599.db2.gz UGSIXHDGUMWZCY-SZVBFZGTSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC001084852340 1264532606 /nfs/dbraw/zinc/53/26/06/1264532606.db2.gz UGSIXHDGUMWZCY-SZVBFZGTSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@@H+]1C ZINC001084944169 1264716424 /nfs/dbraw/zinc/71/64/24/1264716424.db2.gz XKVMRHQPVTUFKG-DDBAPUKQSA-N 1 3 347.528 2.511 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC[N@H+]1C ZINC001084944169 1264716435 /nfs/dbraw/zinc/71/64/35/1264716435.db2.gz XKVMRHQPVTUFKG-DDBAPUKQSA-N 1 3 347.528 2.511 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001410311570 1264727662 /nfs/dbraw/zinc/72/76/62/1264727662.db2.gz LXTKCGOCDJDTBM-RBUKOAKNSA-N 1 3 331.504 2.599 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084953432 1264755707 /nfs/dbraw/zinc/75/57/07/1264755707.db2.gz LIJKDLJKAFDLAR-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084953432 1264755714 /nfs/dbraw/zinc/75/57/14/1264755714.db2.gz LIJKDLJKAFDLAR-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1)N(C)C ZINC001084964906 1264777658 /nfs/dbraw/zinc/77/76/58/1264777658.db2.gz XKBGFNVXNRZEQO-AABGKKOBSA-N 1 3 343.515 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1)N(C)C ZINC001084964906 1264777665 /nfs/dbraw/zinc/77/76/65/1264777665.db2.gz XKBGFNVXNRZEQO-AABGKKOBSA-N 1 3 343.515 2.696 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[N@@H+](C/C=C\Cl)[C@H]2C1 ZINC001084981771 1264821426 /nfs/dbraw/zinc/82/14/26/1264821426.db2.gz CRAIHRIWYWRAGO-WFHKNLJBSA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[N@H+](C/C=C\Cl)[C@H]2C1 ZINC001084981771 1264821436 /nfs/dbraw/zinc/82/14/36/1264821436.db2.gz CRAIHRIWYWRAGO-WFHKNLJBSA-N 1 3 344.846 2.623 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543900 1264880063 /nfs/dbraw/zinc/88/00/63/1264880063.db2.gz JEGQJUAMJSKWHC-UHFFFAOYSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003549024 1264883503 /nfs/dbraw/zinc/88/35/03/1264883503.db2.gz XMFKKRCVNPNKHT-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003548680 1264883636 /nfs/dbraw/zinc/88/36/36/1264883636.db2.gz STTFHHJQYBQQRA-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003549027 1264885028 /nfs/dbraw/zinc/88/50/28/1264885028.db2.gz XMFKKRCVNPNKHT-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1)[NH+](C)C ZINC001085025293 1264958680 /nfs/dbraw/zinc/95/86/80/1264958680.db2.gz PLHHVVSYXABWMA-FGTMMUONSA-N 1 3 349.544 2.757 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+]([C@H]3CCc4ccccc43)CC2)C1 ZINC001003626782 1264979876 /nfs/dbraw/zinc/97/98/76/1264979876.db2.gz WVHXJHUCTRPOFF-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001003626096 1264987951 /nfs/dbraw/zinc/98/79/51/1264987951.db2.gz LTJYZDOMCFPOEF-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001003626095 1264988123 /nfs/dbraw/zinc/98/81/23/1264988123.db2.gz LTJYZDOMCFPOEF-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001003626952 1264994779 /nfs/dbraw/zinc/99/47/79/1264994779.db2.gz YGNHXZDJCDBWMA-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001003627873 1264995831 /nfs/dbraw/zinc/99/58/31/1264995831.db2.gz IZZKZSUWSQNQKW-OXQOHEQNSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001003627579 1264996797 /nfs/dbraw/zinc/99/67/97/1264996797.db2.gz GQSQTFWUWFHIPR-QGZVFWFLSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001410393783 1265001532 /nfs/dbraw/zinc/00/15/32/1265001532.db2.gz VVJPFNDGPVWGFI-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1C1CC1 ZINC001410397139 1265014470 /nfs/dbraw/zinc/01/44/70/1265014470.db2.gz ZOLZMZRKURAWET-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCCCC1 ZINC001085049483 1265026617 /nfs/dbraw/zinc/02/66/17/1265026617.db2.gz FAVMUBCHCPYVGC-SXLOBPIMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCCCC1 ZINC001085049483 1265026625 /nfs/dbraw/zinc/02/66/25/1265026625.db2.gz FAVMUBCHCPYVGC-SXLOBPIMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049579 1265028106 /nfs/dbraw/zinc/02/81/06/1265028106.db2.gz LVWUIYIIZLEGQL-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)C[C@@H]21 ZINC001085049579 1265028110 /nfs/dbraw/zinc/02/81/10/1265028110.db2.gz LVWUIYIIZLEGQL-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)cs1 ZINC001003740009 1265115505 /nfs/dbraw/zinc/11/55/05/1265115505.db2.gz GIIHSAUFDZZEAY-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003740469 1265116073 /nfs/dbraw/zinc/11/60/73/1265116073.db2.gz KUFCHNPIKHRTHB-WBVHZDCISA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001085100491 1265142181 /nfs/dbraw/zinc/14/21/81/1265142181.db2.gz HASLTYHFAQYFAV-KURKYZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001410436686 1265245147 /nfs/dbraw/zinc/24/51/47/1265245147.db2.gz NTKXIAXTJUJRQZ-AAEUAGOBSA-N 1 3 331.913 2.678 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033077226 1266433597 /nfs/dbraw/zinc/43/35/97/1266433597.db2.gz QMFBKSBQKNMDJW-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033077226 1266433602 /nfs/dbraw/zinc/43/36/02/1266433602.db2.gz QMFBKSBQKNMDJW-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033095300 1266519045 /nfs/dbraw/zinc/51/90/45/1266519045.db2.gz WBTVWLIJCKPSDZ-NSISKUIASA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001033095300 1266519052 /nfs/dbraw/zinc/51/90/52/1266519052.db2.gz WBTVWLIJCKPSDZ-NSISKUIASA-N 1 3 343.515 2.622 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004368884 1266785500 /nfs/dbraw/zinc/78/55/00/1266785500.db2.gz FXDMEPQCJBMBLV-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004368884 1266785509 /nfs/dbraw/zinc/78/55/09/1266785509.db2.gz FXDMEPQCJBMBLV-RTBURBONSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001410507921 1266978522 /nfs/dbraw/zinc/97/85/22/1266978522.db2.gz ZLXDMSSBVHWYGS-LRDDRELGSA-N 1 3 343.874 2.756 20 0 EFADHO CC1CC(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C(C)(C)N2CCCC2)C1 ZINC001085296025 1267081692 /nfs/dbraw/zinc/08/16/92/1267081692.db2.gz KZFMFNOVXUXEFK-OPQOLIRYSA-N 1 3 335.536 2.924 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC=C(C)C)CC1)N(C)C ZINC001004472195 1267118696 /nfs/dbraw/zinc/11/86/96/1267118696.db2.gz DQDMYLCCPRQGDW-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC=C(C)C)CC1)N(C)C ZINC001004472195 1267118702 /nfs/dbraw/zinc/11/87/02/1267118702.db2.gz DQDMYLCCPRQGDW-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO C[NH+](C)CC(C)(C)CNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001168769496 1267129233 /nfs/dbraw/zinc/12/92/33/1267129233.db2.gz VORUUEWMKWZDNS-KRWDZBQOSA-N 1 3 330.476 2.600 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033125740 1267139549 /nfs/dbraw/zinc/13/95/49/1267139549.db2.gz HQGMBFWKIMUZDB-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033125740 1267139552 /nfs/dbraw/zinc/13/95/52/1267139552.db2.gz HQGMBFWKIMUZDB-AEFFLSMTSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033125950 1267141549 /nfs/dbraw/zinc/14/15/49/1267141549.db2.gz JJALMUFXQVCPOQ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033125950 1267141553 /nfs/dbraw/zinc/14/15/53/1267141553.db2.gz JJALMUFXQVCPOQ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033125954 1267141754 /nfs/dbraw/zinc/14/17/54/1267141754.db2.gz JJALMUFXQVCPOQ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033125954 1267141755 /nfs/dbraw/zinc/14/17/55/1267141755.db2.gz JJALMUFXQVCPOQ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125444 1267151520 /nfs/dbraw/zinc/15/15/20/1267151520.db2.gz DVQXCHOKPJLQBJ-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001033125444 1267151530 /nfs/dbraw/zinc/15/15/30/1267151530.db2.gz DVQXCHOKPJLQBJ-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085332426 1267180578 /nfs/dbraw/zinc/18/05/78/1267180578.db2.gz XRGYLBWRGMTEBZ-IIDMSEBBSA-N 1 3 327.488 2.624 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143733 1267259285 /nfs/dbraw/zinc/25/92/85/1267259285.db2.gz KMZOXLLJTYRAEU-WOJBJXKFSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143733 1267259293 /nfs/dbraw/zinc/25/92/93/1267259293.db2.gz KMZOXLLJTYRAEU-WOJBJXKFSA-N 1 3 343.515 2.697 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546031 1267265738 /nfs/dbraw/zinc/26/57/38/1267265738.db2.gz FDISQIGJBRFICS-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001004546031 1267265750 /nfs/dbraw/zinc/26/57/50/1267265750.db2.gz FDISQIGJBRFICS-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547539 1267270218 /nfs/dbraw/zinc/27/02/18/1267270218.db2.gz OJLHZJLUTAECOB-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004547539 1267270226 /nfs/dbraw/zinc/27/02/26/1267270226.db2.gz OJLHZJLUTAECOB-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1)N(C)C ZINC001004549398 1267275252 /nfs/dbraw/zinc/27/52/52/1267275252.db2.gz YYOUYOQHRCDBFK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1)N(C)C ZINC001004549398 1267275264 /nfs/dbraw/zinc/27/52/64/1267275264.db2.gz YYOUYOQHRCDBFK-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004587203 1267345501 /nfs/dbraw/zinc/34/55/01/1267345501.db2.gz YKJPSBLLIZTJDS-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004587203 1267345512 /nfs/dbraw/zinc/34/55/12/1267345512.db2.gz YKJPSBLLIZTJDS-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033147158 1267367593 /nfs/dbraw/zinc/36/75/93/1267367593.db2.gz USJRIDFUVZQOTP-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033147158 1267367608 /nfs/dbraw/zinc/36/76/08/1267367608.db2.gz USJRIDFUVZQOTP-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946633087 1267387175 /nfs/dbraw/zinc/38/71/75/1267387175.db2.gz HSTPHEXEAUWWBO-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1)N(C)C ZINC000946633087 1267387188 /nfs/dbraw/zinc/38/71/88/1267387188.db2.gz HSTPHEXEAUWWBO-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615887 1267408695 /nfs/dbraw/zinc/40/86/95/1267408695.db2.gz IPYNZMOIRNZQFJ-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615887 1267408696 /nfs/dbraw/zinc/40/86/96/1267408696.db2.gz IPYNZMOIRNZQFJ-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004618432 1267412168 /nfs/dbraw/zinc/41/21/68/1267412168.db2.gz DTYFJVMIJIADQJ-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004618432 1267412174 /nfs/dbraw/zinc/41/21/74/1267412174.db2.gz DTYFJVMIJIADQJ-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(CCC[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)o1 ZINC001273087305 1267598762 /nfs/dbraw/zinc/59/87/62/1267598762.db2.gz PBDMOCMWGSRXLX-HXUWFJFHSA-N 1 3 347.503 2.539 20 0 EFADHO Cc1ccc(CCC[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)o1 ZINC001273087305 1267598766 /nfs/dbraw/zinc/59/87/66/1267598766.db2.gz PBDMOCMWGSRXLX-HXUWFJFHSA-N 1 3 347.503 2.539 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001128533013 1267694696 /nfs/dbraw/zinc/69/46/96/1267694696.db2.gz DNEAMULCMALOHK-HNNXBMFYSA-N 1 3 345.409 2.510 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001128543123 1267750693 /nfs/dbraw/zinc/75/06/93/1267750693.db2.gz BVRJGTHHTNEIPY-FUHWJXTLSA-N 1 3 337.483 2.750 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085589623 1267949795 /nfs/dbraw/zinc/94/97/95/1267949795.db2.gz PTHYTGRFAPCEBX-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001085589623 1267949798 /nfs/dbraw/zinc/94/97/98/1267949798.db2.gz PTHYTGRFAPCEBX-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085589310 1267949867 /nfs/dbraw/zinc/94/98/67/1267949867.db2.gz JDOWNWZANRFXPA-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085589310 1267949873 /nfs/dbraw/zinc/94/98/73/1267949873.db2.gz JDOWNWZANRFXPA-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085598533 1267961873 /nfs/dbraw/zinc/96/18/73/1267961873.db2.gz VPUHIDOWCFWHGM-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598500 1267961944 /nfs/dbraw/zinc/96/19/44/1267961944.db2.gz VCNYEJHPUCRNFK-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598500 1267961952 /nfs/dbraw/zinc/96/19/52/1267961952.db2.gz VCNYEJHPUCRNFK-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085605217 1267984446 /nfs/dbraw/zinc/98/44/46/1267984446.db2.gz DCEZRQWKSLTRBW-NZSAHSFTSA-N 1 3 333.520 2.750 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001085605217 1267984455 /nfs/dbraw/zinc/98/44/55/1267984455.db2.gz DCEZRQWKSLTRBW-NZSAHSFTSA-N 1 3 333.520 2.750 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085628670 1268047547 /nfs/dbraw/zinc/04/75/47/1268047547.db2.gz CKJYNCODWHTRQM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085628670 1268047555 /nfs/dbraw/zinc/04/75/55/1268047555.db2.gz CKJYNCODWHTRQM-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639056 1268091750 /nfs/dbraw/zinc/09/17/50/1268091750.db2.gz HBMZXUWAGWJMFM-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CCC1CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085639056 1268091765 /nfs/dbraw/zinc/09/17/65/1268091765.db2.gz HBMZXUWAGWJMFM-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668605 1268150069 /nfs/dbraw/zinc/15/00/69/1268150069.db2.gz HKMONNBBAHVWQT-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004947313 1268196600 /nfs/dbraw/zinc/19/66/00/1268196600.db2.gz AFIMEHDGDXLLBK-PBHICJAKSA-N 1 3 332.492 2.748 20 0 EFADHO CN(C[C@H]1CCN1CCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695945 1268212219 /nfs/dbraw/zinc/21/22/19/1268212219.db2.gz VRKHPZFFYFYGKG-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004957746 1268249827 /nfs/dbraw/zinc/24/98/27/1268249827.db2.gz UYQVYKFEXMFUSA-CRAIPNDOSA-N 1 3 344.503 2.892 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946764847 1268253886 /nfs/dbraw/zinc/25/38/86/1268253886.db2.gz BQDNSTKVIKGILK-ZCFHBRKKSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946764847 1268253892 /nfs/dbraw/zinc/25/38/92/1268253892.db2.gz BQDNSTKVIKGILK-ZCFHBRKKSA-N 1 3 349.563 2.789 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776922 1268464454 /nfs/dbraw/zinc/46/44/54/1268464454.db2.gz XDXAKVONRRHBRE-QRVBRYPASA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776922 1268464458 /nfs/dbraw/zinc/46/44/58/1268464458.db2.gz XDXAKVONRRHBRE-QRVBRYPASA-N 1 3 349.563 2.935 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085780027 1268495605 /nfs/dbraw/zinc/49/56/05/1268495605.db2.gz JKGNNAURZIYQHU-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085780027 1268495612 /nfs/dbraw/zinc/49/56/12/1268495612.db2.gz JKGNNAURZIYQHU-RTBURBONSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779206 1268507519 /nfs/dbraw/zinc/50/75/19/1268507519.db2.gz JSUIFQPXSVMSLX-GBESFXJTSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779206 1268507527 /nfs/dbraw/zinc/50/75/27/1268507527.db2.gz JSUIFQPXSVMSLX-GBESFXJTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779639 1268516285 /nfs/dbraw/zinc/51/62/85/1268516285.db2.gz RSKLZCWFGYHFFG-MKXGPGLRSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779639 1268516291 /nfs/dbraw/zinc/51/62/91/1268516291.db2.gz RSKLZCWFGYHFFG-MKXGPGLRSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779918 1268520598 /nfs/dbraw/zinc/52/05/98/1268520598.db2.gz VPTZUMVPANOHEA-ZSYWTGECSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779918 1268520609 /nfs/dbraw/zinc/52/06/09/1268520609.db2.gz VPTZUMVPANOHEA-ZSYWTGECSA-N 1 3 335.536 2.687 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123646 1268583555 /nfs/dbraw/zinc/58/35/55/1268583555.db2.gz AIDMMASLHHBDKK-NLWGTHIKSA-N 1 3 333.520 2.607 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)CC1 ZINC001273123646 1268583557 /nfs/dbraw/zinc/58/35/57/1268583557.db2.gz AIDMMASLHHBDKK-NLWGTHIKSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798791 1268594126 /nfs/dbraw/zinc/59/41/26/1268594126.db2.gz AKSBQYWZGCDPAQ-PKOBYXMFSA-N 1 3 343.515 2.931 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033296741 1268681635 /nfs/dbraw/zinc/68/16/35/1268681635.db2.gz YNGNSPRHBUZCKI-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033296741 1268681640 /nfs/dbraw/zinc/68/16/40/1268681640.db2.gz YNGNSPRHBUZCKI-RBUKOAKNSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033294763 1268690493 /nfs/dbraw/zinc/69/04/93/1268690493.db2.gz DXNCWGFIQCYBAY-UXHICEINSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033295028 1268690529 /nfs/dbraw/zinc/69/05/29/1268690529.db2.gz HCTMWDZMEDPLIL-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033295028 1268690535 /nfs/dbraw/zinc/69/05/35/1268690535.db2.gz HCTMWDZMEDPLIL-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033295471 1268691623 /nfs/dbraw/zinc/69/16/23/1268691623.db2.gz LECKXFKDDHNJHU-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033295471 1268691634 /nfs/dbraw/zinc/69/16/34/1268691634.db2.gz LECKXFKDDHNJHU-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946808755 1268776308 /nfs/dbraw/zinc/77/63/08/1268776308.db2.gz SGUBTAKBODAHGA-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946808755 1268776314 /nfs/dbraw/zinc/77/63/14/1268776314.db2.gz SGUBTAKBODAHGA-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001085856435 1268805668 /nfs/dbraw/zinc/80/56/68/1268805668.db2.gz ZADWRLFYTZKIAR-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001085856435 1268805675 /nfs/dbraw/zinc/80/56/75/1268805675.db2.gz ZADWRLFYTZKIAR-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875855 1268901041 /nfs/dbraw/zinc/90/10/41/1268901041.db2.gz LCEQNHZGLQOOFA-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033414536 1269079928 /nfs/dbraw/zinc/07/99/28/1269079928.db2.gz CMWBGKGPYOIIIE-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033414536 1269079937 /nfs/dbraw/zinc/07/99/37/1269079937.db2.gz CMWBGKGPYOIIIE-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415106 1269080531 /nfs/dbraw/zinc/08/05/31/1269080531.db2.gz GXAITGHICCRTOQ-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415106 1269080537 /nfs/dbraw/zinc/08/05/37/1269080537.db2.gz GXAITGHICCRTOQ-XLIONFOSSA-N 1 3 343.515 2.766 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414527 1269081161 /nfs/dbraw/zinc/08/11/61/1269081161.db2.gz CIGLSKPUAWVEHP-VQIMIIECSA-N 1 3 339.499 2.698 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414527 1269081173 /nfs/dbraw/zinc/08/11/73/1269081173.db2.gz CIGLSKPUAWVEHP-VQIMIIECSA-N 1 3 339.499 2.698 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033415129 1269082986 /nfs/dbraw/zinc/08/29/86/1269082986.db2.gz HDJGJWAOMDRYMH-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033415129 1269082997 /nfs/dbraw/zinc/08/29/97/1269082997.db2.gz HDJGJWAOMDRYMH-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033415646 1269083310 /nfs/dbraw/zinc/08/33/10/1269083310.db2.gz JVIQKBBNDUKJSW-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033415646 1269083315 /nfs/dbraw/zinc/08/33/15/1269083315.db2.gz JVIQKBBNDUKJSW-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033415653 1269083971 /nfs/dbraw/zinc/08/39/71/1269083971.db2.gz JVIQKBBNDUKJSW-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033415653 1269083981 /nfs/dbraw/zinc/08/39/81/1269083981.db2.gz JVIQKBBNDUKJSW-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001033419033 1269098628 /nfs/dbraw/zinc/09/86/28/1269098628.db2.gz GHVOSVGVIMIPKG-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001033419033 1269098638 /nfs/dbraw/zinc/09/86/38/1269098638.db2.gz GHVOSVGVIMIPKG-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001033418807 1269099303 /nfs/dbraw/zinc/09/93/03/1269099303.db2.gz DBMHTFJOCKVNLF-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001033418807 1269099312 /nfs/dbraw/zinc/09/93/12/1269099312.db2.gz DBMHTFJOCKVNLF-OXJNMPFZSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033420989 1269124105 /nfs/dbraw/zinc/12/41/05/1269124105.db2.gz SVGIJCCFHMSQJZ-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001033420989 1269124106 /nfs/dbraw/zinc/12/41/06/1269124106.db2.gz SVGIJCCFHMSQJZ-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C[C@@H]1CCN1CCC1=CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085927882 1269128801 /nfs/dbraw/zinc/12/88/01/1269128801.db2.gz JDZYZMKTQQUDFH-SFHVURJKSA-N 1 3 331.504 2.505 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033471610 1269219300 /nfs/dbraw/zinc/21/93/00/1269219300.db2.gz MCFJWKWBLRDZAD-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033471610 1269219304 /nfs/dbraw/zinc/21/93/04/1269219304.db2.gz MCFJWKWBLRDZAD-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033503681 1269270249 /nfs/dbraw/zinc/27/02/49/1269270249.db2.gz CPSZMNAHDMXZHS-IBGZPJMESA-N 1 3 329.488 2.861 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCN(CC2CCC3(CC3)CC2)CC1 ZINC001113679412 1278472606 /nfs/dbraw/zinc/47/26/06/1278472606.db2.gz RUQIJDNNYYETDO-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001005184535 1269329817 /nfs/dbraw/zinc/32/98/17/1269329817.db2.gz NMFBBCZSMCFFPY-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CC1CCC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001005184546 1269330227 /nfs/dbraw/zinc/33/02/27/1269330227.db2.gz NOYORNZCWAVAEV-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c(C)s1 ZINC001005185482 1269334838 /nfs/dbraw/zinc/33/48/38/1269334838.db2.gz RVEUQRXFFPMTHJ-SFHVURJKSA-N 1 3 349.544 2.882 20 0 EFADHO CCc1cccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001005177846 1269338241 /nfs/dbraw/zinc/33/82/41/1269338241.db2.gz FIHDQVIZMSVOAT-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005182838 1269344585 /nfs/dbraw/zinc/34/45/85/1269344585.db2.gz HFMUTCHCJODLFG-APWZRJJASA-N 1 3 329.488 2.765 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001005183482 1269353615 /nfs/dbraw/zinc/35/36/15/1269353615.db2.gz IQUBAKNELYAQNC-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987227 1269399363 /nfs/dbraw/zinc/39/93/63/1269399363.db2.gz XEOSBBISUWLWNV-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987227 1269399369 /nfs/dbraw/zinc/39/93/69/1269399369.db2.gz XEOSBBISUWLWNV-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986925 1269400430 /nfs/dbraw/zinc/40/04/30/1269400430.db2.gz PPPMDKUACMVSAZ-DOTOQJQBSA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC2CCC2)c1 ZINC001085984739 1269409786 /nfs/dbraw/zinc/40/97/86/1269409786.db2.gz MGAKDZCBZUUNRY-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)c1 ZINC001085984739 1269409787 /nfs/dbraw/zinc/40/97/87/1269409787.db2.gz MGAKDZCBZUUNRY-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CC2CCC2)c1 ZINC001085984740 1269410177 /nfs/dbraw/zinc/41/01/77/1269410177.db2.gz MGAKDZCBZUUNRY-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC2)c1 ZINC001085984740 1269410183 /nfs/dbraw/zinc/41/01/83/1269410183.db2.gz MGAKDZCBZUUNRY-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984842 1269411993 /nfs/dbraw/zinc/41/19/93/1269411993.db2.gz OBGDEOVUKPEZMX-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984842 1269411997 /nfs/dbraw/zinc/41/19/97/1269411997.db2.gz OBGDEOVUKPEZMX-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033574700 1269477047 /nfs/dbraw/zinc/47/70/47/1269477047.db2.gz MAGXPSVRSHZLKM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033574700 1269477055 /nfs/dbraw/zinc/47/70/55/1269477055.db2.gz MAGXPSVRSHZLKM-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582045 1269489562 /nfs/dbraw/zinc/48/95/62/1269489562.db2.gz NKCOUOIPEOOWSP-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582045 1269489570 /nfs/dbraw/zinc/48/95/70/1269489570.db2.gz NKCOUOIPEOOWSP-RTBURBONSA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661526 1269758863 /nfs/dbraw/zinc/75/88/63/1269758863.db2.gz LOTSGIUIABMIKB-UXHICEINSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661526 1269758867 /nfs/dbraw/zinc/75/88/67/1269758867.db2.gz LOTSGIUIABMIKB-UXHICEINSA-N 1 3 341.499 2.548 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682936 1269789310 /nfs/dbraw/zinc/78/93/10/1269789310.db2.gz DUFKVDLLLILZJR-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682936 1269789315 /nfs/dbraw/zinc/78/93/15/1269789315.db2.gz DUFKVDLLLILZJR-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033684742 1269795096 /nfs/dbraw/zinc/79/50/96/1269795096.db2.gz IJPMRVKJLYVWMM-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033684742 1269795104 /nfs/dbraw/zinc/79/51/04/1269795104.db2.gz IJPMRVKJLYVWMM-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686055 1269798925 /nfs/dbraw/zinc/79/89/25/1269798925.db2.gz ZDGLWGBVAXBWBL-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033686055 1269798935 /nfs/dbraw/zinc/79/89/35/1269798935.db2.gz ZDGLWGBVAXBWBL-LPHOPBHVSA-N 1 3 331.504 2.941 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001086085002 1269858385 /nfs/dbraw/zinc/85/83/85/1269858385.db2.gz NNSDWATULQYGJW-HSALFYBXSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001410863588 1269914465 /nfs/dbraw/zinc/91/44/65/1269914465.db2.gz OSAFIXKVEPJTFM-GDBMZVCRSA-N 1 3 349.906 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@@H]1C ZINC001410868626 1269957837 /nfs/dbraw/zinc/95/78/37/1269957837.db2.gz SPLLYBRADCRJBV-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001086101961 1269972194 /nfs/dbraw/zinc/97/21/94/1269972194.db2.gz CMWNMPPPRIIZCD-CEXWTWQISA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001410873344 1269998110 /nfs/dbraw/zinc/99/81/10/1269998110.db2.gz JLKADLDHZDZIJF-DOTOQJQBSA-N 1 3 343.471 2.854 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2cc3ccccc3o2)C[C@@H]1C ZINC001410873344 1269998114 /nfs/dbraw/zinc/99/81/14/1269998114.db2.gz JLKADLDHZDZIJF-DOTOQJQBSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001005406521 1270376275 /nfs/dbraw/zinc/37/62/75/1270376275.db2.gz DCZMLQBJFBTTAO-RHSMWYFYSA-N 1 3 335.517 2.511 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001005406521 1270376284 /nfs/dbraw/zinc/37/62/84/1270376284.db2.gz DCZMLQBJFBTTAO-RHSMWYFYSA-N 1 3 335.517 2.511 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086217275 1270509241 /nfs/dbraw/zinc/50/92/41/1270509241.db2.gz WXDYOZCXZAJLAX-DUBPFDJUSA-N 1 3 335.536 2.780 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128773561 1270520930 /nfs/dbraw/zinc/52/09/30/1270520930.db2.gz BILGMPFAAIXCAL-IBGZPJMESA-N 1 3 346.519 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128773561 1270520937 /nfs/dbraw/zinc/52/09/37/1270520937.db2.gz BILGMPFAAIXCAL-IBGZPJMESA-N 1 3 346.519 2.594 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000743330818 1270538619 /nfs/dbraw/zinc/53/86/19/1270538619.db2.gz VQGMSPWBHXUSGL-HKUYNNGSSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128783606 1270646344 /nfs/dbraw/zinc/64/63/44/1270646344.db2.gz IOKTXLXNQUWYRZ-SUMWQHHRSA-N 1 3 339.430 2.606 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1 ZINC001128783606 1270646351 /nfs/dbraw/zinc/64/63/51/1270646351.db2.gz IOKTXLXNQUWYRZ-SUMWQHHRSA-N 1 3 339.430 2.606 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034040312 1270916869 /nfs/dbraw/zinc/91/68/69/1270916869.db2.gz RSIURLTXURFRQR-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034040312 1270916871 /nfs/dbraw/zinc/91/68/71/1270916871.db2.gz RSIURLTXURFRQR-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(CC)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001034042136 1270947448 /nfs/dbraw/zinc/94/74/48/1270947448.db2.gz LMRIEFJXNJJSQO-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(CC)C(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034042136 1270947453 /nfs/dbraw/zinc/94/74/53/1270947453.db2.gz LMRIEFJXNJJSQO-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001034042137 1270948163 /nfs/dbraw/zinc/94/81/63/1270948163.db2.gz LMRIEFJXNJJSQO-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034042137 1270948167 /nfs/dbraw/zinc/94/81/67/1270948167.db2.gz LMRIEFJXNJJSQO-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@H+](CCCF)C1 ZINC001034044669 1270954806 /nfs/dbraw/zinc/95/48/06/1270954806.db2.gz CWQUWTWMMMAJHW-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001034044669 1270954811 /nfs/dbraw/zinc/95/48/11/1270954811.db2.gz CWQUWTWMMMAJHW-SFHVURJKSA-N 1 3 335.467 2.644 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001086364502 1271167587 /nfs/dbraw/zinc/16/75/87/1271167587.db2.gz HRGRXXPYJCDBMM-GUDVDZBRSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086364527 1271168562 /nfs/dbraw/zinc/16/85/62/1271168562.db2.gz IGXQKDCVOFOWIJ-WDSOQIARSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086364847 1271169032 /nfs/dbraw/zinc/16/90/32/1271169032.db2.gz UGOFRVVCMWZQGK-GUDVDZBRSA-N 1 3 333.520 2.844 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086381894 1271224687 /nfs/dbraw/zinc/22/46/87/1271224687.db2.gz MGWOERCJLMMXIV-GUDVDZBRSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086382841 1271226761 /nfs/dbraw/zinc/22/67/61/1271226761.db2.gz ZVIKWDFCVVUEIO-KBAYOESNSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330276 1271671786 /nfs/dbraw/zinc/67/17/86/1271671786.db2.gz LWDDNCSQIZGWAS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001034330276 1271671792 /nfs/dbraw/zinc/67/17/92/1271671792.db2.gz LWDDNCSQIZGWAS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331540 1271676182 /nfs/dbraw/zinc/67/61/82/1271676182.db2.gz SWZOBCNBVQJNOZ-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331540 1271676190 /nfs/dbraw/zinc/67/61/90/1271676190.db2.gz SWZOBCNBVQJNOZ-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478340 1271696555 /nfs/dbraw/zinc/69/65/55/1271696555.db2.gz NSHOPFDJACKMPX-SRABZTEZSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478340 1271696559 /nfs/dbraw/zinc/69/65/59/1271696559.db2.gz NSHOPFDJACKMPX-SRABZTEZSA-N 1 3 349.906 2.522 20 0 EFADHO CC1CC(C[N@@H+]2CCCC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001034340482 1271702644 /nfs/dbraw/zinc/70/26/44/1271702644.db2.gz OMDOPIUWEWPPOD-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[N@H+]2CCCC[C@H](NC(=O)C(C)(C)N3CCCC3)C2)C1 ZINC001034340482 1271702648 /nfs/dbraw/zinc/70/26/48/1271702648.db2.gz OMDOPIUWEWPPOD-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000746130870 1271806351 /nfs/dbraw/zinc/80/63/51/1271806351.db2.gz GHDNJQIRSJDSHE-IAGOWNOFSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000746130870 1271806379 /nfs/dbraw/zinc/80/63/79/1271806379.db2.gz GHDNJQIRSJDSHE-IAGOWNOFSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)C1 ZINC001034396772 1271887458 /nfs/dbraw/zinc/88/74/58/1271887458.db2.gz HQMJBLCLYGPBTG-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)C1 ZINC001034396772 1271887470 /nfs/dbraw/zinc/88/74/70/1271887470.db2.gz HQMJBLCLYGPBTG-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398186 1271890629 /nfs/dbraw/zinc/89/06/29/1271890629.db2.gz NITBJIPJZIAPFH-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398186 1271890636 /nfs/dbraw/zinc/89/06/36/1271890636.db2.gz NITBJIPJZIAPFH-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399330 1271896832 /nfs/dbraw/zinc/89/68/32/1271896832.db2.gz SLBFVIXAFZKVAQ-YJBOKZPZSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399330 1271896842 /nfs/dbraw/zinc/89/68/42/1271896842.db2.gz SLBFVIXAFZKVAQ-YJBOKZPZSA-N 1 3 327.488 2.578 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCCCN(Cc3ccsc3)C2)CC1 ZINC001034432454 1271991332 /nfs/dbraw/zinc/99/13/32/1271991332.db2.gz VXNXJZHMOBFREO-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[N@H+](CCCF)C1)N1CCCCCC1 ZINC001034439033 1272003483 /nfs/dbraw/zinc/00/34/83/1272003483.db2.gz SIQNQYKLHWOKIM-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1)N1CCCCCC1 ZINC001034439033 1272003490 /nfs/dbraw/zinc/00/34/90/1272003490.db2.gz SIQNQYKLHWOKIM-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccc(F)c(CN2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001034529343 1272202205 /nfs/dbraw/zinc/20/22/05/1272202205.db2.gz YZCXRHWZGOVSGL-SFHVURJKSA-N 1 3 347.478 2.701 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)c1 ZINC001034538679 1272243770 /nfs/dbraw/zinc/24/37/70/1272243770.db2.gz UYKAJGBJGPMCRR-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)c1 ZINC001034538679 1272243777 /nfs/dbraw/zinc/24/37/77/1272243777.db2.gz UYKAJGBJGPMCRR-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO C[C@H]1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168832328 1272433345 /nfs/dbraw/zinc/43/33/45/1272433345.db2.gz ZYVYRXUEQLEHEA-WMLDXEAASA-N 1 3 337.508 2.848 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886723 1272484591 /nfs/dbraw/zinc/48/45/91/1272484591.db2.gz ZZRVMLBCEFXSDJ-QBPKDAKJSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886723 1272484596 /nfs/dbraw/zinc/48/45/96/1272484596.db2.gz ZZRVMLBCEFXSDJ-QBPKDAKJSA-N 1 3 337.508 2.658 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC001168755682 1272525564 /nfs/dbraw/zinc/52/55/64/1272525564.db2.gz PIPFISQASCJBEM-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1ccccc1Br)C2 ZINC001169093192 1272645452 /nfs/dbraw/zinc/64/54/52/1272645452.db2.gz FZNOZTPWPDICAC-JFILPPLUSA-N 1 3 339.277 2.697 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1CCCc3ccccc31)C2 ZINC001169101620 1272652997 /nfs/dbraw/zinc/65/29/97/1272652997.db2.gz UPFKBQIZGYTJFV-BCDXTJNWSA-N 1 3 327.472 2.571 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1CCCc3ccccc31)C2 ZINC001169101620 1272653006 /nfs/dbraw/zinc/65/30/06/1272653006.db2.gz UPFKBQIZGYTJFV-BCDXTJNWSA-N 1 3 327.472 2.571 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1CCCc3ccccc31)C2 ZINC001169101624 1272654632 /nfs/dbraw/zinc/65/46/32/1272654632.db2.gz UPFKBQIZGYTJFV-NNZMDNLPSA-N 1 3 327.472 2.571 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1CCCc3ccccc31)C2 ZINC001169101624 1272654642 /nfs/dbraw/zinc/65/46/42/1272654642.db2.gz UPFKBQIZGYTJFV-NNZMDNLPSA-N 1 3 327.472 2.571 20 0 EFADHO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001169084191 1272660987 /nfs/dbraw/zinc/66/09/87/1272660987.db2.gz HLEHJQUVHAKXDA-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)C[C@@H](Cc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001169084191 1272661001 /nfs/dbraw/zinc/66/10/01/1272661001.db2.gz HLEHJQUVHAKXDA-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001169133014 1272693435 /nfs/dbraw/zinc/69/34/35/1272693435.db2.gz BLFMKIZNQQNTCQ-ANWOVWILSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@H]4C[C@H]5CC[C@@H](C4)N5C)C[C@@H]3C2)cc1 ZINC001169133014 1272693442 /nfs/dbraw/zinc/69/34/42/1272693442.db2.gz BLFMKIZNQQNTCQ-ANWOVWILSA-N 1 3 339.527 2.984 20 0 EFADHO Cc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc(N2CCOCC2)n1 ZINC001169135591 1272694030 /nfs/dbraw/zinc/69/40/30/1272694030.db2.gz BFPWVMACQZKTMS-KXBFYZLASA-N 1 3 347.507 2.577 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ncnc(-c4ccncc4)c3CC1)C2 ZINC001169139002 1272697869 /nfs/dbraw/zinc/69/78/69/1272697869.db2.gz LPOXWWWTOZWEKJ-BCDXTJNWSA-N 1 3 349.482 2.564 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCc3ncnc(-c4ccncc4)c3CC1)C2 ZINC001169139002 1272697878 /nfs/dbraw/zinc/69/78/78/1272697878.db2.gz LPOXWWWTOZWEKJ-BCDXTJNWSA-N 1 3 349.482 2.564 20 0 EFADHO C[C@H]1CCCCN1c1cccc(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001169240557 1272765239 /nfs/dbraw/zinc/76/52/39/1272765239.db2.gz KHROGMCVBDCMPJ-HNNXBMFYSA-N 1 3 340.475 2.762 20 0 EFADHO CCN(CC)Cc1cccc(NCc2ncn3c2C[NH2+]CCC3)c1F ZINC001169244290 1272766696 /nfs/dbraw/zinc/76/66/96/1272766696.db2.gz ACIJVMYWOVMSRH-UHFFFAOYSA-N 1 3 345.466 2.969 20 0 EFADHO C[C@H]1CN(Cc2ccc(Br)cc2N)CCC[C@H]1C[NH3+] ZINC001206005864 1272790992 /nfs/dbraw/zinc/79/09/92/1272790992.db2.gz ZAHOYGJNCSIYJN-RYUDHWBXSA-N 1 3 326.282 2.838 20 0 EFADHO CC(C)CNC(=O)[C@@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273136814 1272849045 /nfs/dbraw/zinc/84/90/45/1272849045.db2.gz NDIRIJDMRKOHGP-SFHVURJKSA-N 1 3 349.563 2.983 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001156307016 1272910019 /nfs/dbraw/zinc/91/00/19/1272910019.db2.gz ZIKZGCHQEVWCNE-SJORKVTESA-N 1 3 329.504 2.827 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCF ZINC001156307016 1272910027 /nfs/dbraw/zinc/91/00/27/1272910027.db2.gz ZIKZGCHQEVWCNE-SJORKVTESA-N 1 3 329.504 2.827 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001034786128 1272962518 /nfs/dbraw/zinc/96/25/18/1272962518.db2.gz JUEUEMDSYHEKRD-QAQDUYKDSA-N 1 3 344.434 2.617 20 0 EFADHO CC(=O)N1CC[C@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169521746 1272985461 /nfs/dbraw/zinc/98/54/61/1272985461.db2.gz UBCFAWSZOKNQAZ-BZSNNMDCSA-N 1 3 333.451 2.518 20 0 EFADHO CC(=O)N1CC[C@H]([NH+]2CCC3(CC[C@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169536938 1272994272 /nfs/dbraw/zinc/99/42/72/1272994272.db2.gz GRCGFZNKFXDQTJ-PKOBYXMFSA-N 1 3 345.487 2.577 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001129334821 1272994315 /nfs/dbraw/zinc/99/43/15/1272994315.db2.gz OUDZBUKLEZIOEB-DOTOQJQBSA-N 1 3 335.467 2.570 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001129334821 1272994323 /nfs/dbraw/zinc/99/43/23/1272994323.db2.gz OUDZBUKLEZIOEB-DOTOQJQBSA-N 1 3 335.467 2.570 20 0 EFADHO CC(=O)N1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001169589329 1273021682 /nfs/dbraw/zinc/02/16/82/1273021682.db2.gz OVGVQZUGOZKPQK-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001129341048 1273062139 /nfs/dbraw/zinc/06/21/39/1273062139.db2.gz SEHNIRTYSOQALW-KRWDZBQOSA-N 1 3 343.471 2.617 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001129341048 1273062151 /nfs/dbraw/zinc/06/21/51/1273062151.db2.gz SEHNIRTYSOQALW-KRWDZBQOSA-N 1 3 343.471 2.617 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001169734613 1273139283 /nfs/dbraw/zinc/13/92/83/1273139283.db2.gz BSNHMDGUTYOSCB-IBGZPJMESA-N 1 3 341.499 2.898 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034881494 1273145264 /nfs/dbraw/zinc/14/52/64/1273145264.db2.gz JEQYWCOKJXCJBA-MSOLQXFVSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001034882054 1273146070 /nfs/dbraw/zinc/14/60/70/1273146070.db2.gz QVNLBRUOJNSUSY-QUCCMNQESA-N 1 3 343.515 2.787 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001034885495 1273149601 /nfs/dbraw/zinc/14/96/01/1273149601.db2.gz VDTRGMVROCXRRM-WOJBJXKFSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034884682 1273149906 /nfs/dbraw/zinc/14/99/06/1273149906.db2.gz LGUYVAWXRSNWHY-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1C ZINC001034957439 1273271035 /nfs/dbraw/zinc/27/10/35/1273271035.db2.gz UULRAPHQANBCKQ-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)CC1 ZINC001034957985 1273272568 /nfs/dbraw/zinc/27/25/68/1273272568.db2.gz SEGAOOHZKCTDMX-FAFZWHIHSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001034960494 1273272732 /nfs/dbraw/zinc/27/27/32/1273272732.db2.gz LTGDUXGRJCBKQD-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001034957927 1273272814 /nfs/dbraw/zinc/27/28/14/1273272814.db2.gz PRDTWADBUCCCOS-DNVCBOLYSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001034957835 1273273292 /nfs/dbraw/zinc/27/32/92/1273273292.db2.gz LFYZWPPNYQLCIP-HNAYVOBHSA-N 1 3 347.478 2.952 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cc1 ZINC001034957995 1273273499 /nfs/dbraw/zinc/27/34/99/1273273499.db2.gz SSEMHUGCMGEMCW-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)C1CCC1 ZINC001034958080 1273273656 /nfs/dbraw/zinc/27/36/56/1273273656.db2.gz YZNJVRLPLFLFIU-UYAOXDASSA-N 1 3 341.499 2.739 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001034960496 1273274303 /nfs/dbraw/zinc/27/43/03/1273274303.db2.gz LTGDUXGRJCBKQD-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001034939462 1273279397 /nfs/dbraw/zinc/27/93/97/1273279397.db2.gz BDVNIDFDEBFLAS-KBAYOESNSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001034939462 1273279401 /nfs/dbraw/zinc/27/94/01/1273279401.db2.gz BDVNIDFDEBFLAS-KBAYOESNSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001034971054 1273286560 /nfs/dbraw/zinc/28/65/60/1273286560.db2.gz BTHHVCVUMNVYOW-IAGOWNOFSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001034973778 1273294073 /nfs/dbraw/zinc/29/40/73/1273294073.db2.gz COFOFTJVQHWHCW-WOJBJXKFSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC)c1)N(C)C ZINC001034974206 1273296489 /nfs/dbraw/zinc/29/64/89/1273296489.db2.gz FPMLNCATNWOCII-SZVBFZGTSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001034975303 1273297527 /nfs/dbraw/zinc/29/75/27/1273297527.db2.gz QLMGUDBXEWCWMS-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001034974931 1273297678 /nfs/dbraw/zinc/29/76/78/1273297678.db2.gz MCUOTAYHEVYETR-BMGDILEWSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001034974938 1273298845 /nfs/dbraw/zinc/29/88/45/1273298845.db2.gz MEJBGWBEICVCNI-IEBWSBKVSA-N 1 3 342.487 2.589 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](CC)N(C)C)cc1 ZINC001034975315 1273298859 /nfs/dbraw/zinc/29/88/59/1273298859.db2.gz QPVDGZKXHSKHPU-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001034964556 1273318515 /nfs/dbraw/zinc/31/85/15/1273318515.db2.gz PWUNQDYZEFGNCZ-QUCCMNQESA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001034965027 1273320031 /nfs/dbraw/zinc/32/00/31/1273320031.db2.gz BKOBFNUUAVXRNR-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001034966069 1273321516 /nfs/dbraw/zinc/32/15/16/1273321516.db2.gz NXZCAQFPRQCJAI-MJGOQNOKSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703927 1273378024 /nfs/dbraw/zinc/37/80/24/1273378024.db2.gz XFVZUMGCNUIFEZ-BZSNNMDCSA-N 1 3 335.536 2.876 20 0 EFADHO CC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704949 1273379135 /nfs/dbraw/zinc/37/91/35/1273379135.db2.gz VZBFPZPTTNPLSY-TYEGUXDJSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704980 1273379315 /nfs/dbraw/zinc/37/93/15/1273379315.db2.gz WVSDNOJSLDPGCO-SCTDSRPQSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704979 1273379477 /nfs/dbraw/zinc/37/94/77/1273379477.db2.gz WVSDNOJSLDPGCO-LNLFQRSKSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H](NC[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001035039814 1273426305 /nfs/dbraw/zinc/42/63/05/1273426305.db2.gz QVJMBOJNORCUMM-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001035040037 1273426589 /nfs/dbraw/zinc/42/65/89/1273426589.db2.gz QXXNIQNNXKRVTR-RTBURBONSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001035040309 1273427330 /nfs/dbraw/zinc/42/73/30/1273427330.db2.gz YZBOLLIYKZTESU-RTBURBONSA-N 1 3 349.494 2.823 20 0 EFADHO CCC/C=C\CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768584 1273456246 /nfs/dbraw/zinc/45/62/46/1273456246.db2.gz CAPTWDXZXYTVQL-JDHQYPSRSA-N 1 3 330.476 2.668 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)cc1 ZINC001035047738 1273464046 /nfs/dbraw/zinc/46/40/46/1273464046.db2.gz GKSQQDMGIYKMAV-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001035047441 1273464171 /nfs/dbraw/zinc/46/41/71/1273464171.db2.gz COYCCKCWFKXHHS-FXAWDEMLSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001035047722 1273464428 /nfs/dbraw/zinc/46/44/28/1273464428.db2.gz GDTIJVNCNZHXJJ-FXAWDEMLSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001035049010 1273465471 /nfs/dbraw/zinc/46/54/71/1273465471.db2.gz LOYUAIAZQAIIJL-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001035048757 1273465589 /nfs/dbraw/zinc/46/55/89/1273465589.db2.gz VDASUGFPYZVYHW-MRXNPFEDSA-N 1 3 335.517 2.561 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001035052034 1273469370 /nfs/dbraw/zinc/46/93/70/1273469370.db2.gz COFOFTJVQHWHCW-UXHICEINSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001035051975 1273469451 /nfs/dbraw/zinc/46/94/51/1273469451.db2.gz BFVXQYNVBCEWOB-QRQLOZEOSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001035052638 1273471263 /nfs/dbraw/zinc/47/12/63/1273471263.db2.gz SRNSWUUQVGGWBK-MOPGFXCFSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001035052865 1273471348 /nfs/dbraw/zinc/47/13/48/1273471348.db2.gz WGSYTXIERVKKQH-MOPGFXCFSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785568 1273471488 /nfs/dbraw/zinc/47/14/88/1273471488.db2.gz ITCKWAMEGXMVKN-FHWLQOOXSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001035085635 1273491502 /nfs/dbraw/zinc/49/15/02/1273491502.db2.gz IMFZTOWGCCYDSA-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2F)CC1 ZINC001035085630 1273491557 /nfs/dbraw/zinc/49/15/57/1273491557.db2.gz HXQJVUKDOVMMDD-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001035086347 1273492960 /nfs/dbraw/zinc/49/29/60/1273492960.db2.gz SRFVRXSUXYWMHT-GOSISDBHSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)cs1 ZINC001108832385 1273524077 /nfs/dbraw/zinc/52/40/77/1273524077.db2.gz RDXISHMIGRRDNB-SZMVWBNQSA-N 1 3 349.544 2.866 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001035125740 1273589423 /nfs/dbraw/zinc/58/94/23/1273589423.db2.gz MRVUKHUZHQGYFN-QUCCMNQESA-N 1 3 341.499 2.740 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001035132685 1273602766 /nfs/dbraw/zinc/60/27/66/1273602766.db2.gz CQKCICQFAFRVMK-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035199029 1273766443 /nfs/dbraw/zinc/76/64/43/1273766443.db2.gz ZSBCWAJUYNLRKC-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCCN1C)CC2 ZINC001035199029 1273766449 /nfs/dbraw/zinc/76/64/49/1273766449.db2.gz ZSBCWAJUYNLRKC-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](CCC4CC4)C3)CC2)CCC1 ZINC001035193511 1273815063 /nfs/dbraw/zinc/81/50/63/1273815063.db2.gz DVZHDXUHINKWQO-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](CCC4CC4)C3)CC2)CCC1 ZINC001035193511 1273815069 /nfs/dbraw/zinc/81/50/69/1273815069.db2.gz DVZHDXUHINKWQO-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193573 1273816081 /nfs/dbraw/zinc/81/60/81/1273816081.db2.gz GVSSBZNBQJHBPH-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193573 1273816085 /nfs/dbraw/zinc/81/60/85/1273816085.db2.gz GVSSBZNBQJHBPH-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035222603 1273832025 /nfs/dbraw/zinc/83/20/25/1273832025.db2.gz CBQPDNGRQOVTFM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001035222603 1273832034 /nfs/dbraw/zinc/83/20/34/1273832034.db2.gz CBQPDNGRQOVTFM-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224438 1273838522 /nfs/dbraw/zinc/83/85/22/1273838522.db2.gz LBRJNZQHQIHKEW-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224438 1273838526 /nfs/dbraw/zinc/83/85/26/1273838526.db2.gz LBRJNZQHQIHKEW-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224738 1273839026 /nfs/dbraw/zinc/83/90/26/1273839026.db2.gz PDPVNKSGPZYXFI-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224738 1273839033 /nfs/dbraw/zinc/83/90/33/1273839033.db2.gz PDPVNKSGPZYXFI-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN2CC[C@@H](C)C2)CC3)C1 ZINC001035226296 1273844743 /nfs/dbraw/zinc/84/47/43/1273844743.db2.gz FXEORKULSBPNOH-LMDPOFIKSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN2CC[C@@H](C)C2)CC3)C1 ZINC001035226296 1273844749 /nfs/dbraw/zinc/84/47/49/1273844749.db2.gz FXEORKULSBPNOH-LMDPOFIKSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226989 1273847149 /nfs/dbraw/zinc/84/71/49/1273847149.db2.gz PJSSEGINKBLLEE-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035226989 1273847157 /nfs/dbraw/zinc/84/71/57/1273847157.db2.gz PJSSEGINKBLLEE-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227353 1273849950 /nfs/dbraw/zinc/84/99/50/1273849950.db2.gz PNDXDFWXEGZLBF-GOSISDBHSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227353 1273849962 /nfs/dbraw/zinc/84/99/62/1273849962.db2.gz PNDXDFWXEGZLBF-GOSISDBHSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H](C(=O)N1CCC2(CCN(CCF)C2)CC1)[NH+]1CCCCCC1 ZINC001035233484 1273884421 /nfs/dbraw/zinc/88/44/21/1273884421.db2.gz FIXGXCYMFCDJQO-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035260186 1273954966 /nfs/dbraw/zinc/95/49/66/1273954966.db2.gz RQCBAASGWPQXNE-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035260186 1273954972 /nfs/dbraw/zinc/95/49/72/1273954972.db2.gz RQCBAASGWPQXNE-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086530491 1273983006 /nfs/dbraw/zinc/98/30/06/1273983006.db2.gz BOKLPFOVXXMBSN-FHWLQOOXSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC(C)C ZINC001109361070 1274191695 /nfs/dbraw/zinc/19/16/95/1274191695.db2.gz KUZMRUSNFVVERG-OWSLCNJRSA-N 1 3 341.515 2.824 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109361070 1274191700 /nfs/dbraw/zinc/19/17/00/1274191700.db2.gz KUZMRUSNFVVERG-OWSLCNJRSA-N 1 3 341.515 2.824 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)N(C)C ZINC001109427041 1274263667 /nfs/dbraw/zinc/26/36/67/1274263667.db2.gz LKSDUQOHFSNRKH-FYQPLNBISA-N 1 3 343.515 2.537 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)N(C)C ZINC001109427041 1274263675 /nfs/dbraw/zinc/26/36/75/1274263675.db2.gz LKSDUQOHFSNRKH-FYQPLNBISA-N 1 3 343.515 2.537 20 0 EFADHO CC/C=C/CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485278 1274335815 /nfs/dbraw/zinc/33/58/15/1274335815.db2.gz SVWKYMWOQCAAKR-JPCOKXJSSA-N 1 3 331.504 2.693 20 0 EFADHO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CCCN2C)CC3)cc1 ZINC001035669821 1274367598 /nfs/dbraw/zinc/36/75/98/1274367598.db2.gz YHZFITDMKWSZTH-IBGZPJMESA-N 1 3 341.499 2.514 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)CCC1 ZINC001035723895 1274410772 /nfs/dbraw/zinc/41/07/72/1274410772.db2.gz MIAIQSPOGLUNMN-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035724863 1274412737 /nfs/dbraw/zinc/41/27/37/1274412737.db2.gz BDBYZCCINLHQHS-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035724863 1274412745 /nfs/dbraw/zinc/41/27/45/1274412745.db2.gz BDBYZCCINLHQHS-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)N(C)C ZINC001035726928 1274415318 /nfs/dbraw/zinc/41/53/18/1274415318.db2.gz ILUPVJGUJNBFIJ-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CC4(CCC4)C3)C2)CC1)N(C)C ZINC001035731538 1274421512 /nfs/dbraw/zinc/42/15/12/1274421512.db2.gz IDSZKCAJSQJTSQ-GOSISDBHSA-N 1 3 347.547 2.831 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555371 1274423815 /nfs/dbraw/zinc/42/38/15/1274423815.db2.gz NPOYTFGHJMMANR-YDZRNGNQSA-N 1 3 333.520 2.773 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555371 1274423819 /nfs/dbraw/zinc/42/38/19/1274423819.db2.gz NPOYTFGHJMMANR-YDZRNGNQSA-N 1 3 333.520 2.773 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035798504 1274495742 /nfs/dbraw/zinc/49/57/42/1274495742.db2.gz NWGMOTLYHXOCTI-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCCC3CCC3)C2)CC1 ZINC001035797810 1274496137 /nfs/dbraw/zinc/49/61/37/1274496137.db2.gz IKHXOJVXEAQLGT-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC(C)CC1)CC2 ZINC001035821344 1274516288 /nfs/dbraw/zinc/51/62/88/1274516288.db2.gz ZAQMYAVOHHWKSC-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001035825889 1274521355 /nfs/dbraw/zinc/52/13/55/1274521355.db2.gz GZRQNKCKXXRTAJ-UHFFFAOYSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@@H+]31)CC2 ZINC001035814567 1274549014 /nfs/dbraw/zinc/54/90/14/1274549014.db2.gz OSONIYDJFYXRAN-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035814567 1274549018 /nfs/dbraw/zinc/54/90/18/1274549018.db2.gz OSONIYDJFYXRAN-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1cccs1)N(C)C ZINC001109688261 1274555323 /nfs/dbraw/zinc/55/53/23/1274555323.db2.gz FMQFZQPGQJRXSJ-LAVFITLUSA-N 1 3 349.544 2.598 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1cccs1)N(C)C ZINC001109688261 1274555331 /nfs/dbraw/zinc/55/53/31/1274555331.db2.gz FMQFZQPGQJRXSJ-LAVFITLUSA-N 1 3 349.544 2.598 20 0 EFADHO CC[C@H]1C[C@@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CCO1 ZINC001170216658 1278891891 /nfs/dbraw/zinc/89/18/91/1278891891.db2.gz IIMKDMZUNVVSPR-OALUTQOASA-N 1 3 346.519 2.808 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001036053213 1274977812 /nfs/dbraw/zinc/97/78/12/1274977812.db2.gz DVKGOQBYOOARLK-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001036053210 1274978187 /nfs/dbraw/zinc/97/81/87/1274978187.db2.gz DVKGOQBYOOARLK-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001036055098 1274980628 /nfs/dbraw/zinc/98/06/28/1274980628.db2.gz NJPONXIOGMCTDN-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036055968 1274982506 /nfs/dbraw/zinc/98/25/06/1274982506.db2.gz SDUPXCHSXSXIKE-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036055997 1274982656 /nfs/dbraw/zinc/98/26/56/1274982656.db2.gz SLZZVEISQATKKT-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001036056637 1274983172 /nfs/dbraw/zinc/98/31/72/1274983172.db2.gz WEHUPJYFIODAQW-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036193177 1275202833 /nfs/dbraw/zinc/20/28/33/1275202833.db2.gz LLZANVOREZEUEQ-LPHOPBHVSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001036205677 1275224413 /nfs/dbraw/zinc/22/44/13/1275224413.db2.gz NCMQSCJHPZGIOU-CXAGYDPISA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001036208126 1275228440 /nfs/dbraw/zinc/22/84/40/1275228440.db2.gz VTHMDTGQOTVTDG-CXAGYDPISA-N 1 3 346.862 2.632 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC001036209347 1275229634 /nfs/dbraw/zinc/22/96/34/1275229634.db2.gz XYYJEIQBOHMREH-HNAYVOBHSA-N 1 3 340.471 2.541 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCNCc1c(Cl)cccc1Cl ZINC001170223362 1278932734 /nfs/dbraw/zinc/93/27/34/1278932734.db2.gz SMTHTURHOBDLBK-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCNCc1c(Cl)cccc1Cl ZINC001170223362 1278932742 /nfs/dbraw/zinc/93/27/42/1278932742.db2.gz SMTHTURHOBDLBK-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCNCc1cccc(Cl)c1Cl ZINC001170223379 1278933539 /nfs/dbraw/zinc/93/35/39/1278933539.db2.gz SUTZLUWNULZSCT-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCNCc1cccc(Cl)c1Cl ZINC001170223379 1278933545 /nfs/dbraw/zinc/93/35/45/1278933545.db2.gz SUTZLUWNULZSCT-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036191955 1275250100 /nfs/dbraw/zinc/25/01/00/1275250100.db2.gz IDQMIISWFNSNGC-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO N=C(NCCCC[NH3+])Nc1nnc(Cl)c2ccc(Cl)cc21 ZINC001157102271 1275265437 /nfs/dbraw/zinc/26/54/37/1275265437.db2.gz WCCDBECWPLHFFF-UHFFFAOYSA-N 1 3 327.219 2.612 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001036223069 1275292581 /nfs/dbraw/zinc/29/25/81/1275292581.db2.gz DOTVQFCRQITYJZ-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001036301580 1275382184 /nfs/dbraw/zinc/38/21/84/1275382184.db2.gz GANOSSHBMASPLQ-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001036306771 1275427023 /nfs/dbraw/zinc/42/70/23/1275427023.db2.gz YOWHYPZZYMBPRK-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001036306770 1275427210 /nfs/dbraw/zinc/42/72/10/1275427210.db2.gz YOWHYPZZYMBPRK-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036306650 1275427437 /nfs/dbraw/zinc/42/74/37/1275427437.db2.gz YEOCITSLIQNZLH-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786790319 1275533008 /nfs/dbraw/zinc/53/30/08/1275533008.db2.gz QEMWDYFIKRAUQY-OAHLLOKOSA-N 1 3 342.487 2.741 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)C1 ZINC000786833709 1275537610 /nfs/dbraw/zinc/53/76/10/1275537610.db2.gz ZLKBQZQXWUGOFY-SJORKVTESA-N 1 3 344.503 2.987 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408206 1275550377 /nfs/dbraw/zinc/55/03/77/1275550377.db2.gz FASZYOZHIRRAHC-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cs1 ZINC001036449192 1275610612 /nfs/dbraw/zinc/61/06/12/1275610612.db2.gz FAWJGVFOEYKJJQ-ZBFHGGJFSA-N 1 3 346.500 2.739 20 0 EFADHO CCCN(CC(=O)Nc1ccccc1OC)CC1CC[NH+](C)CC1 ZINC000788472094 1276188336 /nfs/dbraw/zinc/18/83/36/1276188336.db2.gz YLADBYXDAOCTMQ-UHFFFAOYSA-N 1 3 333.476 2.688 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135975985 1276274041 /nfs/dbraw/zinc/27/40/41/1276274041.db2.gz FWOOJNZZFVUEIK-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135976977 1276275736 /nfs/dbraw/zinc/27/57/36/1276275736.db2.gz OXCJMEDGVNROBC-SJORKVTESA-N 1 3 348.535 2.920 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135991355 1276280411 /nfs/dbraw/zinc/28/04/11/1276280411.db2.gz CFRXZRQAEATTJF-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nc(C)cs1 ZINC001135991355 1276280414 /nfs/dbraw/zinc/28/04/14/1276280414.db2.gz CFRXZRQAEATTJF-ZIAGYGMSSA-N 1 3 340.537 2.556 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001136031442 1276340504 /nfs/dbraw/zinc/34/05/04/1276340504.db2.gz LIKQZDIAXWDMSI-KBPBESRZSA-N 1 3 348.516 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001136031818 1276340611 /nfs/dbraw/zinc/34/06/11/1276340611.db2.gz QWZKJFIEGPFNPL-CHWSQXEVSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001136031634 1276340683 /nfs/dbraw/zinc/34/06/83/1276340683.db2.gz NQMSUWHPROOBHR-CABCVRRESA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001136031819 1276340740 /nfs/dbraw/zinc/34/07/40/1276340740.db2.gz QWZKJFIEGPFNPL-OLZOCXBDSA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001136032241 1276341031 /nfs/dbraw/zinc/34/10/31/1276341031.db2.gz XVHGVWLYVLWHCN-JKSUJKDBSA-N 1 3 342.487 2.685 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001136032050 1276341475 /nfs/dbraw/zinc/34/14/75/1276341475.db2.gz VGOFFGCTSVQRPH-CABCVRRESA-N 1 3 328.460 2.642 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001136031884 1276341511 /nfs/dbraw/zinc/34/15/11/1276341511.db2.gz RWPXUOUYDPCHKM-UONOGXRCSA-N 1 3 346.450 2.803 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929725 1276361722 /nfs/dbraw/zinc/36/17/22/1276361722.db2.gz SAKOQUQGPULONX-RBSFLKMASA-N 1 3 327.266 2.732 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C[NH3+])C1CCCCC1 ZINC000817959506 1276399467 /nfs/dbraw/zinc/39/94/67/1276399467.db2.gz SCUPVZQPFDYSLQ-WFASDCNBSA-N 1 3 338.883 2.949 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000817985640 1276424284 /nfs/dbraw/zinc/42/42/84/1276424284.db2.gz MOTARXVJKJYFAC-CHWSQXEVSA-N 1 3 336.867 2.716 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc(Br)cs1 ZINC000817987766 1276427065 /nfs/dbraw/zinc/42/70/65/1276427065.db2.gz WVOONMNMWRHHMV-LNFKQOIKSA-N 1 3 330.295 2.944 20 0 EFADHO C[N@H+]1C[C@H]2CN([C@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170886684 1276435587 /nfs/dbraw/zinc/43/55/87/1276435587.db2.gz RYKDCMMIMQLLMD-UXLLHSPISA-N 1 3 335.289 2.800 20 0 EFADHO C[N@@H+]1C[C@H]2CN([C@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170886684 1276435595 /nfs/dbraw/zinc/43/55/95/1276435595.db2.gz RYKDCMMIMQLLMD-UXLLHSPISA-N 1 3 335.289 2.800 20 0 EFADHO C[N@H+]1C[C@H]2CN([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170886683 1276436322 /nfs/dbraw/zinc/43/63/22/1276436322.db2.gz RYKDCMMIMQLLMD-HLLBOEOZSA-N 1 3 335.289 2.800 20 0 EFADHO C[N@@H+]1C[C@H]2CN([C@@H]3CCc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001170886683 1276436328 /nfs/dbraw/zinc/43/63/28/1276436328.db2.gz RYKDCMMIMQLLMD-HLLBOEOZSA-N 1 3 335.289 2.800 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c(ccc(=O)n3CCN3CCCC3)C2)C1 ZINC001170097865 1276507951 /nfs/dbraw/zinc/50/79/51/1276507951.db2.gz GAUPTAJDQREBNI-NEWSRXKRSA-N 1 3 343.515 2.580 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000818959054 1276560270 /nfs/dbraw/zinc/56/02/70/1276560270.db2.gz BHBAEZGPXGZVHN-INIZCTEOSA-N 1 3 333.476 2.561 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000818959054 1276560280 /nfs/dbraw/zinc/56/02/80/1276560280.db2.gz BHBAEZGPXGZVHN-INIZCTEOSA-N 1 3 333.476 2.561 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1cccc(F)c1 ZINC000818984337 1276563729 /nfs/dbraw/zinc/56/37/29/1276563729.db2.gz FBBXTRBCRYBTIL-GOSISDBHSA-N 1 3 332.419 2.589 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000818985903 1276563925 /nfs/dbraw/zinc/56/39/25/1276563925.db2.gz ZNIPKKBNDXFSOD-KRWDZBQOSA-N 1 3 346.519 2.791 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNCCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000818985903 1276563927 /nfs/dbraw/zinc/56/39/27/1276563927.db2.gz ZNIPKKBNDXFSOD-KRWDZBQOSA-N 1 3 346.519 2.791 20 0 EFADHO COc1ccc(OC)c([C@H](O)CN[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000819080374 1276599122 /nfs/dbraw/zinc/59/91/22/1276599122.db2.gz FMUSJOXLGHNUAV-AEFFLSMTSA-N 1 3 338.492 2.693 20 0 EFADHO COCC(C)(C)N1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000819942409 1276962290 /nfs/dbraw/zinc/96/22/90/1276962290.db2.gz HJOMFQPBBLZHDX-UHFFFAOYSA-N 1 3 329.444 2.790 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001168762403 1277015843 /nfs/dbraw/zinc/01/58/43/1277015843.db2.gz AMVLEXFAPNJKBR-SFHVURJKSA-N 1 3 331.504 2.544 20 0 EFADHO CCCC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005984813 1277270636 /nfs/dbraw/zinc/27/06/36/1277270636.db2.gz BPKMZBUDQIBASJ-LJQANCHMSA-N 1 3 341.515 2.922 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(Cc3ccsc3)CC2)C1 ZINC001005990464 1277316187 /nfs/dbraw/zinc/31/61/87/1277316187.db2.gz HFOZAVJNJJINDT-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(Cc3ccsc3)CC2)C1 ZINC001005990464 1277316196 /nfs/dbraw/zinc/31/61/96/1277316196.db2.gz HFOZAVJNJJINDT-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO O=C(NCCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000820813737 1277320000 /nfs/dbraw/zinc/32/00/00/1277320000.db2.gz BFCVBQJRFHAKRT-IHWFROFDSA-N 1 3 341.499 2.688 20 0 EFADHO O=C(NCCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000820813737 1277320009 /nfs/dbraw/zinc/32/00/09/1277320009.db2.gz BFCVBQJRFHAKRT-IHWFROFDSA-N 1 3 341.499 2.688 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001005991554 1277320683 /nfs/dbraw/zinc/32/06/83/1277320683.db2.gz OXUMQTAPRLAMHE-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001006002424 1277393781 /nfs/dbraw/zinc/39/37/81/1277393781.db2.gz VXGNTNBPCTWMKJ-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC001005998941 1277399329 /nfs/dbraw/zinc/39/93/29/1277399329.db2.gz XACPTLZOOJMQSL-KDOFPFPSSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC001005998941 1277399341 /nfs/dbraw/zinc/39/93/41/1277399341.db2.gz XACPTLZOOJMQSL-KDOFPFPSSA-N 1 3 349.544 2.677 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCC3CCCC3)CC2)C1=O ZINC001273168459 1277401215 /nfs/dbraw/zinc/40/12/15/1277401215.db2.gz YMTCPEPMAJESTG-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCC3CCCC3)CC2)C1=O ZINC001273168459 1277401219 /nfs/dbraw/zinc/40/12/19/1277401219.db2.gz YMTCPEPMAJESTG-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO C[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CCNCC1 ZINC000923279021 1277466380 /nfs/dbraw/zinc/46/63/80/1277466380.db2.gz AMRXYWWSCLKBCU-XJKSGUPXSA-N 1 3 328.378 2.852 20 0 EFADHO C[N@@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CCNCC1 ZINC000923279021 1277466383 /nfs/dbraw/zinc/46/63/83/1277466383.db2.gz AMRXYWWSCLKBCU-XJKSGUPXSA-N 1 3 328.378 2.852 20 0 EFADHO CN(C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC[NH2+]CC1 ZINC000923279021 1277466387 /nfs/dbraw/zinc/46/63/87/1277466387.db2.gz AMRXYWWSCLKBCU-XJKSGUPXSA-N 1 3 328.378 2.852 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000923295922 1277524336 /nfs/dbraw/zinc/52/43/36/1277524336.db2.gz KIZFNMRNNDROSC-IUODEOHRSA-N 1 3 335.275 2.696 20 0 EFADHO C[C@](C[NH3+])(NC[C@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000923296191 1277524385 /nfs/dbraw/zinc/52/43/85/1277524385.db2.gz OQAMHVNNHKYLTA-HRAATJIYSA-N 1 3 337.467 2.872 20 0 EFADHO CCCCCCN1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355717 1277644628 /nfs/dbraw/zinc/64/46/28/1277644628.db2.gz KEOVXFLQKDRKSA-UHFFFAOYSA-N 1 3 345.531 2.885 20 0 EFADHO CCCCCCN1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001113355717 1277644632 /nfs/dbraw/zinc/64/46/32/1277644632.db2.gz KEOVXFLQKDRKSA-UHFFFAOYSA-N 1 3 345.531 2.885 20 0 EFADHO C[C@@H](CCCCNCc1nc2ccccc2o1)NC(=O)CC[NH+](C)C ZINC001175057178 1287290664 /nfs/dbraw/zinc/29/06/64/1287290664.db2.gz VNFWRTLVGRKKPY-HNNXBMFYSA-N 1 3 346.475 2.544 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1c1ccccc1 ZINC001086590865 1277745213 /nfs/dbraw/zinc/74/52/13/1277745213.db2.gz DVCMHDCYTZOCDO-XUVXKRRUSA-N 1 3 343.515 2.855 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1c1ccccc1 ZINC001086590865 1277745222 /nfs/dbraw/zinc/74/52/22/1277745222.db2.gz DVCMHDCYTZOCDO-XUVXKRRUSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001175115581 1287315485 /nfs/dbraw/zinc/31/54/85/1287315485.db2.gz RTQAXOZBACPDGH-GOEBONIOSA-N 1 3 347.494 2.883 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091026547 1279351005 /nfs/dbraw/zinc/35/10/05/1279351005.db2.gz QCJHPDGNAYLWIP-VMWRSERWSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001091026362 1279351334 /nfs/dbraw/zinc/35/13/34/1279351334.db2.gz NEYLWSLLLPZERU-LYBXBRPPSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001091026363 1279351710 /nfs/dbraw/zinc/35/17/10/1279351710.db2.gz NEYLWSLLLPZERU-UUKMXZOPSA-N 1 3 343.515 2.852 20 0 EFADHO CN1CCC[C@@]2(CC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145443 1287346422 /nfs/dbraw/zinc/34/64/22/1287346422.db2.gz UHAMRKGJPOBTBK-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@]2(CC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145443 1287346428 /nfs/dbraw/zinc/34/64/28/1287346428.db2.gz UHAMRKGJPOBTBK-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001114487946 1287359197 /nfs/dbraw/zinc/35/91/97/1287359197.db2.gz DADRLHOOSKVTEE-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001114487946 1287359203 /nfs/dbraw/zinc/35/92/03/1287359203.db2.gz DADRLHOOSKVTEE-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN(C)CC(C)(C)C ZINC001175296385 1287376840 /nfs/dbraw/zinc/37/68/40/1287376840.db2.gz NJOFCZXATCSTJZ-HQPKTYMTSA-N 1 3 331.932 2.981 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175297791 1287377453 /nfs/dbraw/zinc/37/74/53/1287377453.db2.gz WXDOBNLXCISWEO-CVEARBPZSA-N 1 3 331.520 2.977 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175297794 1287378030 /nfs/dbraw/zinc/37/80/30/1287378030.db2.gz WXDOBNLXCISWEO-HZPDHXFCSA-N 1 3 331.520 2.977 20 0 EFADHO COCCCC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175298058 1287378060 /nfs/dbraw/zinc/37/80/60/1287378060.db2.gz ZSWVWEPRACBMKB-KRWDZBQOSA-N 1 3 343.556 2.656 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CCC[C@@H]1C ZINC001175255161 1287380031 /nfs/dbraw/zinc/38/00/31/1287380031.db2.gz DDBQTSNXPPNIGJ-IRXDYDNUSA-N 1 3 329.504 2.875 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CCC[C@H]1C ZINC001175255856 1287380426 /nfs/dbraw/zinc/38/04/26/1287380426.db2.gz HYDCRAMJMBTDAK-QZTJIDSGSA-N 1 3 331.504 2.936 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CCC[C@H]1C ZINC001175256219 1287381281 /nfs/dbraw/zinc/38/12/81/1287381281.db2.gz JDRDNXPDOPHVHI-HZPDHXFCSA-N 1 3 337.533 2.997 20 0 EFADHO C[C@H](CCCC[NH2+]CCc1ccccc1)NC(=O)CN1CCC[C@H]1C ZINC001175257008 1287381302 /nfs/dbraw/zinc/38/13/02/1287381302.db2.gz RSWDVSSKSCMURS-RTBURBONSA-N 1 3 345.531 2.978 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256593 1287381409 /nfs/dbraw/zinc/38/14/09/1287381409.db2.gz MLIYTPFNWJNCHV-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC[C@H]1C ZINC001175256722 1287381467 /nfs/dbraw/zinc/38/14/67/1287381467.db2.gz NBQVDOWQUYOBMZ-LSDHHAIUSA-N 1 3 345.478 2.781 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256592 1287381640 /nfs/dbraw/zinc/38/16/40/1287381640.db2.gz MLIYTPFNWJNCHV-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263030 1287384401 /nfs/dbraw/zinc/38/44/01/1287384401.db2.gz NHCYGPUMAMDCNS-YJBOKZPZSA-N 1 3 329.504 2.872 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC1)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175262256 1287384412 /nfs/dbraw/zinc/38/44/12/1287384412.db2.gz FCDJKCYPWSEXPN-DNVCBOLYSA-N 1 3 341.515 2.874 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262421 1287384491 /nfs/dbraw/zinc/38/44/91/1287384491.db2.gz GUULAHOWOMVQQV-CVEARBPZSA-N 1 3 337.533 2.855 20 0 EFADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175265141 1287384934 /nfs/dbraw/zinc/38/49/34/1287384934.db2.gz XNQUQPCOCVOAJC-CRAIPNDOSA-N 1 3 347.494 2.823 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001175265050 1287385073 /nfs/dbraw/zinc/38/50/73/1287385073.db2.gz XDAAXABLPMSWIL-DLBZAZTESA-N 1 3 349.494 2.932 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175264366 1287385157 /nfs/dbraw/zinc/38/51/57/1287385157.db2.gz UCXMMWVPSURHAO-SJORKVTESA-N 1 3 349.494 2.932 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271808 1287387752 /nfs/dbraw/zinc/38/77/52/1287387752.db2.gz DPSHTKUQWPTMFZ-HZPDHXFCSA-N 1 3 329.504 2.731 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccn1)NC(=O)CN(C)CC(C)(C)C ZINC001175273047 1287388345 /nfs/dbraw/zinc/38/83/45/1287388345.db2.gz OBGPVDDHERUAQJ-KRWDZBQOSA-N 1 3 348.535 2.824 20 0 EFADHO C[NH+]1CCC2(CN(Cc3c[nH]c4cc(Br)cnc34)C2)CC1 ZINC001144707006 1280031820 /nfs/dbraw/zinc/03/18/20/1280031820.db2.gz XFPNNMIMTITIAM-UHFFFAOYSA-N 1 3 349.276 2.853 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C3(N(C)C)CCC3)C2)s1 ZINC000846101330 1280033656 /nfs/dbraw/zinc/03/36/56/1280033656.db2.gz IEDBZUSVEQUUSI-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C3(N(C)C)CCC3)C2)s1 ZINC000846101330 1280033662 /nfs/dbraw/zinc/03/36/62/1280033662.db2.gz IEDBZUSVEQUUSI-MRXNPFEDSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1)N(C)C ZINC001175305858 1287395294 /nfs/dbraw/zinc/39/52/94/1287395294.db2.gz RICWTCUDPWVIID-MJGOQNOKSA-N 1 3 333.520 2.834 20 0 EFADHO C[C@](NCCCCCC[NH3+])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000846223471 1280075977 /nfs/dbraw/zinc/07/59/77/1280075977.db2.gz LHRRCUPEXHLXEF-OAHLLOKOSA-N 1 3 331.382 2.515 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001175318343 1287400820 /nfs/dbraw/zinc/40/08/20/1287400820.db2.gz YPBQFSKQVSVACA-APWZRJJASA-N 1 3 349.519 2.800 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCc1cccc(Cl)c1 ZINC001129415769 1280182509 /nfs/dbraw/zinc/18/25/09/1280182509.db2.gz CGAACHPFOFOAAE-QGZVFWFLSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCc1cccc(Cl)c1 ZINC001129415769 1280182515 /nfs/dbraw/zinc/18/25/15/1280182515.db2.gz CGAACHPFOFOAAE-QGZVFWFLSA-N 1 3 337.895 2.809 20 0 EFADHO Cc1ccc(CNCCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1F ZINC001129422387 1280184318 /nfs/dbraw/zinc/18/43/18/1280184318.db2.gz IEKGPSAAWRFVAS-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(CNCCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1F ZINC001129422387 1280184323 /nfs/dbraw/zinc/18/43/23/1280184323.db2.gz IEKGPSAAWRFVAS-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc2ccccc2c1 ZINC001129454974 1280195161 /nfs/dbraw/zinc/19/51/61/1280195161.db2.gz QNRMGGAZMHNADO-FOIQADDNSA-N 1 3 339.483 2.947 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc2ccccc21 ZINC001129454271 1280195347 /nfs/dbraw/zinc/19/53/47/1280195347.db2.gz IYHYFEZQBSKCMF-MGPUTAFESA-N 1 3 339.483 2.947 20 0 EFADHO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](O)CN1CCCC1)CCCC2 ZINC000872028429 1287404932 /nfs/dbraw/zinc/40/49/32/1287404932.db2.gz RGZWOSWDKFQXJK-FUHWJXTLSA-N 1 3 348.487 2.518 20 0 EFADHO COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H](O)CN1CCCC1)CCCC2 ZINC000872028430 1287404967 /nfs/dbraw/zinc/40/49/67/1287404967.db2.gz RGZWOSWDKFQXJK-SJLPKXTDSA-N 1 3 348.487 2.518 20 0 EFADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)C1CC1 ZINC001129443114 1280201780 /nfs/dbraw/zinc/20/17/80/1280201780.db2.gz IHGNGBKSQOEANY-FQEVSTJZSA-N 1 3 343.515 2.890 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC001129531635 1280234525 /nfs/dbraw/zinc/23/45/25/1280234525.db2.gz CSHAZQNXVWPKJT-UHFFFAOYSA-N 1 3 344.286 2.684 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)NC/C(Cl)=C\Cl ZINC001135297409 1287911368 /nfs/dbraw/zinc/91/13/68/1287911368.db2.gz BBOOWBWYBVBCSG-DQSXNGOJSA-N 1 3 336.307 2.520 20 0 EFADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC001129841597 1280352537 /nfs/dbraw/zinc/35/25/37/1280352537.db2.gz PBBYGXIBLXXZNV-ZFWWWQNUSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC001129841597 1280352543 /nfs/dbraw/zinc/35/25/43/1280352543.db2.gz PBBYGXIBLXXZNV-ZFWWWQNUSA-N 1 3 339.430 2.606 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1)N(C)C ZINC001129949643 1280378100 /nfs/dbraw/zinc/37/81/00/1280378100.db2.gz GYZPDQKUTIPKKZ-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364280 1280408377 /nfs/dbraw/zinc/40/83/77/1280408377.db2.gz BOEFCYLKFWLHBC-PCKAHOCUSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364280 1280408384 /nfs/dbraw/zinc/40/83/84/1280408384.db2.gz BOEFCYLKFWLHBC-PCKAHOCUSA-N 1 3 349.906 2.585 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171243115 1280408829 /nfs/dbraw/zinc/40/88/29/1280408829.db2.gz QTJWRZOLJFLYGL-SEBOWIOWSA-N 1 3 341.499 2.896 20 0 EFADHO Cc1ccc(CNC2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001091364875 1280409946 /nfs/dbraw/zinc/40/99/46/1280409946.db2.gz QKTZGDJNZJOEET-WIHSUSGWSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CNC2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001091364875 1280409951 /nfs/dbraw/zinc/40/99/51/1280409951.db2.gz QKTZGDJNZJOEET-WIHSUSGWSA-N 1 3 349.906 2.585 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H](C1CC1)N(C)C ZINC001171248406 1280442489 /nfs/dbraw/zinc/44/24/89/1280442489.db2.gz UNXQBFFTPCZYMC-KXBFYZLASA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)CN(C)C1CCC1 ZINC001171254494 1280561245 /nfs/dbraw/zinc/56/12/45/1280561245.db2.gz SIMATQURNOLFNU-ZDUSSCGKSA-N 1 3 337.430 2.688 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(CC2(Br)CC2)CC1 ZINC000846842813 1280570268 /nfs/dbraw/zinc/57/02/68/1280570268.db2.gz WKWLEBQYVSTZSK-UHFFFAOYSA-N 1 3 347.341 2.984 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(CC2(Br)CC2)CC1 ZINC000846842813 1280570275 /nfs/dbraw/zinc/57/02/75/1280570275.db2.gz WKWLEBQYVSTZSK-UHFFFAOYSA-N 1 3 347.341 2.984 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001130205439 1280574541 /nfs/dbraw/zinc/57/45/41/1280574541.db2.gz LNBDBZPPARZJGC-CQSZACIVSA-N 1 3 332.275 2.539 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21)N(C)C ZINC001130201019 1280584777 /nfs/dbraw/zinc/58/47/77/1280584777.db2.gz SNCWXBMCEUUSPH-HNAYVOBHSA-N 1 3 327.472 2.947 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001171260449 1280674688 /nfs/dbraw/zinc/67/46/88/1280674688.db2.gz IJCNFSODVVVQIT-INIZCTEOSA-N 1 3 346.519 2.639 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001130426772 1280859931 /nfs/dbraw/zinc/85/99/31/1280859931.db2.gz BQADAUNHHKLDLS-KRWDZBQOSA-N 1 3 331.504 2.543 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]C/C=C/Cl)NC(=O)c1cccc(CN(C)C)c1 ZINC001146584247 1280940642 /nfs/dbraw/zinc/94/06/42/1280940642.db2.gz RUBYCYRKMDJCDT-VOTDVEDPSA-N 1 3 337.895 2.987 20 0 EFADHO COCc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001146590834 1280944794 /nfs/dbraw/zinc/94/47/94/1280944794.db2.gz BUYHXSDBIOYOHH-SJORKVTESA-N 1 3 349.519 2.546 20 0 EFADHO COCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146592298 1280946090 /nfs/dbraw/zinc/94/60/90/1280946090.db2.gz JAMWCCASWAPLTG-SJORKVTESA-N 1 3 349.519 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001146595468 1280947024 /nfs/dbraw/zinc/94/70/24/1280947024.db2.gz ZXHLVIKPANGWFX-KGLIPLIRSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001146600367 1280948790 /nfs/dbraw/zinc/94/87/90/1280948790.db2.gz GJKKOOZMNJONKF-ROUUACIJSA-N 1 3 349.519 2.669 20 0 EFADHO Cc1ccccc1OCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146601170 1280949572 /nfs/dbraw/zinc/94/95/72/1280949572.db2.gz KUVIWXDODBHQKW-MSOLQXFVSA-N 1 3 349.519 2.587 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723529 1281246874 /nfs/dbraw/zinc/24/68/74/1281246874.db2.gz BQMDNSFEFLGSRU-MJRGOJFPSA-N 1 3 333.520 2.607 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147723529 1281246882 /nfs/dbraw/zinc/24/68/82/1281246882.db2.gz BQMDNSFEFLGSRU-MJRGOJFPSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724245 1281247002 /nfs/dbraw/zinc/24/70/02/1281247002.db2.gz ILNPLUFMHSTWAE-AEFFLSMTSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724245 1281247008 /nfs/dbraw/zinc/24/70/08/1281247008.db2.gz ILNPLUFMHSTWAE-AEFFLSMTSA-N 1 3 335.536 2.543 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CC(C)(C)C1)C2 ZINC001147809879 1281272434 /nfs/dbraw/zinc/27/24/34/1281272434.db2.gz JXTPXVYHLWIXAO-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC(C)(C)C1)C2 ZINC001147809879 1281272444 /nfs/dbraw/zinc/27/24/44/1281272444.db2.gz JXTPXVYHLWIXAO-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCc1cccs1)C2 ZINC001147809396 1281272846 /nfs/dbraw/zinc/27/28/46/1281272846.db2.gz FDORLFXKRYNPPM-UHFFFAOYSA-N 1 3 349.544 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CCc1cccs1)C2 ZINC001147809396 1281272862 /nfs/dbraw/zinc/27/28/62/1281272862.db2.gz FDORLFXKRYNPPM-UHFFFAOYSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226376 1281461492 /nfs/dbraw/zinc/46/14/92/1281461492.db2.gz DUHUAOPVVUISJL-ZWKOTPCHSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226376 1281461496 /nfs/dbraw/zinc/46/14/96/1281461496.db2.gz DUHUAOPVVUISJL-ZWKOTPCHSA-N 1 3 337.552 2.789 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226857 1281462985 /nfs/dbraw/zinc/46/29/85/1281462985.db2.gz VLESNBUOZCBSGT-GFOMBABLSA-N 1 3 335.536 2.853 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001148226857 1281462993 /nfs/dbraw/zinc/46/29/93/1281462993.db2.gz VLESNBUOZCBSGT-GFOMBABLSA-N 1 3 335.536 2.853 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148276937 1281490163 /nfs/dbraw/zinc/49/01/63/1281490163.db2.gz AMOCDEMQWQBIMV-OOFWQKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148276937 1281490168 /nfs/dbraw/zinc/49/01/68/1281490168.db2.gz AMOCDEMQWQBIMV-OOFWQKGWSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2)[NH+](CC)CC ZINC001148285457 1281494705 /nfs/dbraw/zinc/49/47/05/1281494705.db2.gz SHLRZJDIPPRNDB-KRWDZBQOSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285387 1281495198 /nfs/dbraw/zinc/49/51/98/1281495198.db2.gz QPELYPPAVLSKHL-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001148285387 1281495205 /nfs/dbraw/zinc/49/52/05/1281495205.db2.gz QPELYPPAVLSKHL-ZWKOTPCHSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292147 1281496881 /nfs/dbraw/zinc/49/68/81/1281496881.db2.gz FSNRCNGZXRAOTP-AATRIKPKSA-N 1 3 333.520 2.609 20 0 EFADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001148292147 1281496885 /nfs/dbraw/zinc/49/68/85/1281496885.db2.gz FSNRCNGZXRAOTP-AATRIKPKSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292658 1281497299 /nfs/dbraw/zinc/49/72/99/1281497299.db2.gz ONCSETDJWJMZNO-QWNKOJSDSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001148292658 1281497308 /nfs/dbraw/zinc/49/73/08/1281497308.db2.gz ONCSETDJWJMZNO-QWNKOJSDSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@H](NC[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000872252671 1287503000 /nfs/dbraw/zinc/50/30/00/1287503000.db2.gz VIWGBTMWJDVQEI-HKBOAZHASA-N 1 3 342.483 2.581 20 0 EFADHO CC[C@H](NC[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000872252671 1287503004 /nfs/dbraw/zinc/50/30/04/1287503004.db2.gz VIWGBTMWJDVQEI-HKBOAZHASA-N 1 3 342.483 2.581 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001091716482 1281533271 /nfs/dbraw/zinc/53/32/71/1281533271.db2.gz QJYOZKOCHOMXBP-HBFSDRIKSA-N 1 3 333.520 2.607 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001091716482 1281533281 /nfs/dbraw/zinc/53/32/81/1281533281.db2.gz QJYOZKOCHOMXBP-HBFSDRIKSA-N 1 3 333.520 2.607 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2 ZINC001148469576 1281563933 /nfs/dbraw/zinc/56/39/33/1281563933.db2.gz NYMMMMAXKHMWTJ-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2 ZINC001148469576 1281563945 /nfs/dbraw/zinc/56/39/45/1281563945.db2.gz NYMMMMAXKHMWTJ-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CCc1ccc(C[N@H+]2CCC3(CN(C(=O)CN(CC)CC)C3)C2)cc1 ZINC001148469749 1281564835 /nfs/dbraw/zinc/56/48/35/1281564835.db2.gz SSRFTDHJUOAQLU-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccc(C[N@@H+]2CCC3(CN(C(=O)CN(CC)CC)C3)C2)cc1 ZINC001148469749 1281564844 /nfs/dbraw/zinc/56/48/44/1281564844.db2.gz SSRFTDHJUOAQLU-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001148469880 1281565431 /nfs/dbraw/zinc/56/54/31/1281565431.db2.gz YYXCTOFCSAUSII-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001148469880 1281565438 /nfs/dbraw/zinc/56/54/38/1281565438.db2.gz YYXCTOFCSAUSII-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc(C)c1)C2 ZINC001148469850 1281565486 /nfs/dbraw/zinc/56/54/86/1281565486.db2.gz XSRQRPIAKBMDPW-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1cccc(C)c1)C2 ZINC001148469850 1281565490 /nfs/dbraw/zinc/56/54/90/1281565490.db2.gz XSRQRPIAKBMDPW-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCC4CCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735756 1281652007 /nfs/dbraw/zinc/65/20/07/1281652007.db2.gz WTCBAIZTNWIRCF-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@@]3(C)C2)CCC1 ZINC001091735756 1281652011 /nfs/dbraw/zinc/65/20/11/1281652011.db2.gz WTCBAIZTNWIRCF-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001148577831 1281657241 /nfs/dbraw/zinc/65/72/41/1281657241.db2.gz GCCHRUQZNAIUIY-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001148577831 1281657248 /nfs/dbraw/zinc/65/72/48/1281657248.db2.gz GCCHRUQZNAIUIY-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000872275367 1287516313 /nfs/dbraw/zinc/51/63/13/1287516313.db2.gz MDBCFLYGWHJPTM-XHSDSOJGSA-N 1 3 335.517 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001148651355 1281674772 /nfs/dbraw/zinc/67/47/72/1281674772.db2.gz BNRNBUNPUHNOHA-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001148651355 1281674782 /nfs/dbraw/zinc/67/47/82/1281674782.db2.gz BNRNBUNPUHNOHA-QGZVFWFLSA-N 1 3 329.488 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCc3ccccc31)C2 ZINC001148652205 1281676087 /nfs/dbraw/zinc/67/60/87/1281676087.db2.gz ZFRUWNIAZUJLCQ-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H]1CCc3ccccc31)C2 ZINC001148652205 1281676095 /nfs/dbraw/zinc/67/60/95/1281676095.db2.gz ZFRUWNIAZUJLCQ-IBGZPJMESA-N 1 3 341.499 2.550 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738436 1281688035 /nfs/dbraw/zinc/68/80/35/1281688035.db2.gz XWMQYMNVKPPFKV-GGPKGHCWSA-N 1 3 335.536 2.543 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@]2(C)C1 ZINC001091738436 1281688047 /nfs/dbraw/zinc/68/80/47/1281688047.db2.gz XWMQYMNVKPPFKV-GGPKGHCWSA-N 1 3 335.536 2.543 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC001148638145 1281702195 /nfs/dbraw/zinc/70/21/95/1281702195.db2.gz FOPLYXCPFSUICI-UHFFFAOYSA-N 1 3 337.467 2.804 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872279915 1287519361 /nfs/dbraw/zinc/51/93/61/1287519361.db2.gz MOUNPEMKJYJMCH-OWYHZJEWSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148811573 1281769698 /nfs/dbraw/zinc/76/96/98/1281769698.db2.gz DPPKALAPVPHINM-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148811573 1281769707 /nfs/dbraw/zinc/76/97/07/1281769707.db2.gz DPPKALAPVPHINM-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)cc1C ZINC001148840019 1281780339 /nfs/dbraw/zinc/78/03/39/1281780339.db2.gz YDGXLHKVRGDQDT-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)cc1C ZINC001148840019 1281780348 /nfs/dbraw/zinc/78/03/48/1281780348.db2.gz YDGXLHKVRGDQDT-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCC(C)CC1)C2 ZINC001148839246 1281781212 /nfs/dbraw/zinc/78/12/12/1281781212.db2.gz NXMJFRLQNGOYDE-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCC(C)CC1)C2 ZINC001148839246 1281781215 /nfs/dbraw/zinc/78/12/15/1281781215.db2.gz NXMJFRLQNGOYDE-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148844522 1281782968 /nfs/dbraw/zinc/78/29/68/1281782968.db2.gz PJXLZJZGOYTEGQ-INIZCTEOSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148844522 1281782970 /nfs/dbraw/zinc/78/29/70/1281782970.db2.gz PJXLZJZGOYTEGQ-INIZCTEOSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188665 1287525644 /nfs/dbraw/zinc/52/56/44/1287525644.db2.gz LNWRUDFHJVPWRG-QYZOEREBSA-N 1 3 333.520 2.940 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)CCCC[NH2+][C@@H](C)COC ZINC001175740019 1287534663 /nfs/dbraw/zinc/53/46/63/1287534663.db2.gz QRFWSEXXGAABOC-MSOLQXFVSA-N 1 3 343.556 2.798 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@@H](C)COC ZINC001175740022 1287534436 /nfs/dbraw/zinc/53/44/36/1287534436.db2.gz QRFWSEXXGAABOC-ROUUACIJSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CCC1CC1)CC2 ZINC001086926967 1281948808 /nfs/dbraw/zinc/94/88/08/1281948808.db2.gz OSLBANZPYWJPPV-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN1CC[C@H](C)C1)CC[NH+](CC1CCC1)CC2 ZINC001086942701 1281974032 /nfs/dbraw/zinc/97/40/32/1281974032.db2.gz YNEMVQZOCUIHJC-ZWKOTPCHSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ns1 ZINC001175786757 1287551855 /nfs/dbraw/zinc/55/18/55/1287551855.db2.gz PENOLTXCONVKMH-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091985796 1282283954 /nfs/dbraw/zinc/28/39/54/1282283954.db2.gz HVXYDDKLVOYPKK-OPYAIIAOSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091985796 1282283965 /nfs/dbraw/zinc/28/39/65/1282283965.db2.gz HVXYDDKLVOYPKK-OPYAIIAOSA-N 1 3 349.563 2.789 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cnc(C2OCCO2)s1 ZINC000809606181 1282310895 /nfs/dbraw/zinc/31/08/95/1282310895.db2.gz NKORACMBBTVTMZ-AWEZNQCLSA-N 1 3 339.505 2.933 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cnc(C2OCCO2)s1 ZINC000809606181 1282310905 /nfs/dbraw/zinc/31/09/05/1282310905.db2.gz NKORACMBBTVTMZ-AWEZNQCLSA-N 1 3 339.505 2.933 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605787 1282312679 /nfs/dbraw/zinc/31/26/79/1282312679.db2.gz IUOWIAWHBLDVJN-JUVOFCAFSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092010570 1282336787 /nfs/dbraw/zinc/33/67/87/1282336787.db2.gz GZILGSPCSCKPPV-QKLQHJQFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092010570 1282336797 /nfs/dbraw/zinc/33/67/97/1282336797.db2.gz GZILGSPCSCKPPV-QKLQHJQFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001092013431 1282337826 /nfs/dbraw/zinc/33/78/26/1282337826.db2.gz QBUGKNWSXDWAKZ-HLIPFELVSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001092013431 1282337834 /nfs/dbraw/zinc/33/78/34/1282337834.db2.gz QBUGKNWSXDWAKZ-HLIPFELVSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012900 1282338799 /nfs/dbraw/zinc/33/87/99/1282338799.db2.gz DRLFCWCHNARBQW-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC4CCCC4)C[C@@]3(C)C2)C1 ZINC001092012900 1282338806 /nfs/dbraw/zinc/33/88/06/1282338806.db2.gz DRLFCWCHNARBQW-DSKINZAPSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001092021845 1282341921 /nfs/dbraw/zinc/34/19/21/1282341921.db2.gz KFHLHVSZXAPZQU-UWVAXJGDSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001092021845 1282341931 /nfs/dbraw/zinc/34/19/31/1282341931.db2.gz KFHLHVSZXAPZQU-UWVAXJGDSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2C[N@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071409 1282368592 /nfs/dbraw/zinc/36/85/92/1282368592.db2.gz UXMWBERNPADXRX-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC3CC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071409 1282368604 /nfs/dbraw/zinc/36/86/04/1282368604.db2.gz UXMWBERNPADXRX-QFUCXCTJSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092071372 1282369054 /nfs/dbraw/zinc/36/90/54/1282369054.db2.gz SZDSBZJZBRUXTD-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1 ZINC001092071372 1282369061 /nfs/dbraw/zinc/36/90/61/1282369061.db2.gz SZDSBZJZBRUXTD-DYXWJJEUSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccc(CNCCNC(=O)CC[N@@H+](C)C2CCCCC2)c(C)n1 ZINC001131815611 1282398585 /nfs/dbraw/zinc/39/85/85/1282398585.db2.gz LTGGJFKWDLYEFC-UHFFFAOYSA-N 1 3 346.519 2.559 20 0 EFADHO Cc1ccc(CNCCNC(=O)CC[N@H+](C)C2CCCCC2)c(C)n1 ZINC001131815611 1282398596 /nfs/dbraw/zinc/39/85/96/1282398596.db2.gz LTGGJFKWDLYEFC-UHFFFAOYSA-N 1 3 346.519 2.559 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(C(C)C)C2)C1 ZINC000809735573 1282413050 /nfs/dbraw/zinc/41/30/50/1282413050.db2.gz KWDYCOMGDHOZLL-ZNMIVQPWSA-N 1 3 332.435 2.673 20 0 EFADHO CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(C(C)C)C2)C1 ZINC000809735570 1282413319 /nfs/dbraw/zinc/41/33/19/1282413319.db2.gz KWDYCOMGDHOZLL-KFWWJZLASA-N 1 3 332.435 2.673 20 0 EFADHO CC(C)c1ncc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000809741692 1282438934 /nfs/dbraw/zinc/43/89/34/1282438934.db2.gz SPHSWPIBLIJYHC-INIZCTEOSA-N 1 3 336.549 2.867 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300050 1282547739 /nfs/dbraw/zinc/54/77/39/1282547739.db2.gz QUYNDSPJCDGKBO-XLIONFOSSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300050 1282547746 /nfs/dbraw/zinc/54/77/46/1282547746.db2.gz QUYNDSPJCDGKBO-XLIONFOSSA-N 1 3 329.488 2.551 20 0 EFADHO CC(C)=CCN1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132140208 1283035239 /nfs/dbraw/zinc/03/52/39/1283035239.db2.gz GLEYNFDUOUDSDH-ZWKOTPCHSA-N 1 3 344.503 2.843 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CN1CCCF ZINC001132141206 1283067067 /nfs/dbraw/zinc/06/70/67/1283067067.db2.gz PNMULKQJSIWEGX-CVEARBPZSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CN1CCCF ZINC001132141206 1283067074 /nfs/dbraw/zinc/06/70/74/1283067074.db2.gz PNMULKQJSIWEGX-CVEARBPZSA-N 1 3 341.515 2.968 20 0 EFADHO [NH3+]C[C@H]1COc2ccccc2N1c1cc(CN2CCCCC2)ccn1 ZINC001171392541 1283177318 /nfs/dbraw/zinc/17/73/18/1283177318.db2.gz LLNYOKWDFJFKBF-KRWDZBQOSA-N 1 3 338.455 2.925 20 0 EFADHO C[C@@H]1CN(C/C=C\Cl)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001093056958 1283191122 /nfs/dbraw/zinc/19/11/22/1283191122.db2.gz XOIXINFXRYRDJD-AEAPKAQYSA-N 1 3 349.906 2.798 20 0 EFADHO Cc1ccccc1CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266673 1283220626 /nfs/dbraw/zinc/22/06/26/1283220626.db2.gz YLZZALMPWVHVJC-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717704 1283223910 /nfs/dbraw/zinc/22/39/10/1283223910.db2.gz ZVJHNKHQPPUNSU-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@H]21 ZINC001036717704 1283223913 /nfs/dbraw/zinc/22/39/13/1283223913.db2.gz ZVJHNKHQPPUNSU-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC001132286303 1283239466 /nfs/dbraw/zinc/23/94/66/1283239466.db2.gz HYSVHKBRTDJTQY-ZDUSSCGKSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2cc[nH]c2c1 ZINC001132277658 1283248842 /nfs/dbraw/zinc/24/88/42/1283248842.db2.gz IFADGZKWWZQBPM-QAPCUYQASA-N 1 3 342.487 2.589 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001093120320 1283260963 /nfs/dbraw/zinc/26/09/63/1283260963.db2.gz GNIDUCCFQASULN-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001093120320 1283260973 /nfs/dbraw/zinc/26/09/73/1283260973.db2.gz GNIDUCCFQASULN-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735289 1283310418 /nfs/dbraw/zinc/31/04/18/1283310418.db2.gz HJPJTENHHSJHGO-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735289 1283310432 /nfs/dbraw/zinc/31/04/32/1283310432.db2.gz HJPJTENHHSJHGO-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735288 1283310973 /nfs/dbraw/zinc/31/09/73/1283310973.db2.gz HJPJTENHHSJHGO-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCCC3CCC3)C2)CCC1 ZINC001036735288 1283310982 /nfs/dbraw/zinc/31/09/82/1283310982.db2.gz HJPJTENHHSJHGO-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735986 1283312865 /nfs/dbraw/zinc/31/28/65/1283312865.db2.gz TUGPATXWVOBSPZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735986 1283312872 /nfs/dbraw/zinc/31/28/72/1283312872.db2.gz TUGPATXWVOBSPZ-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735984 1283313071 /nfs/dbraw/zinc/31/30/71/1283313071.db2.gz TUGPATXWVOBSPZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CC3CCCCC3)C2)CCC1 ZINC001036735984 1283313085 /nfs/dbraw/zinc/31/30/85/1283313085.db2.gz TUGPATXWVOBSPZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735662 1283314246 /nfs/dbraw/zinc/31/42/46/1283314246.db2.gz OIZOTHPEXDRGDP-RTBURBONSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735662 1283314255 /nfs/dbraw/zinc/31/42/55/1283314255.db2.gz OIZOTHPEXDRGDP-RTBURBONSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)CCC1 ZINC001036735604 1283314305 /nfs/dbraw/zinc/31/43/05/1283314305.db2.gz NCVRGWQUXMGMRW-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)CCC1 ZINC001036735604 1283314316 /nfs/dbraw/zinc/31/43/16/1283314316.db2.gz NCVRGWQUXMGMRW-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736471 1283315000 /nfs/dbraw/zinc/31/50/00/1283315000.db2.gz AFSUQVFFOSPGKB-AZUAARDMSA-N 1 3 341.499 2.594 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1)C1CCC1 ZINC001036736471 1283315008 /nfs/dbraw/zinc/31/50/08/1283315008.db2.gz AFSUQVFFOSPGKB-AZUAARDMSA-N 1 3 341.499 2.594 20 0 EFADHO CC(C)COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475833 1288046935 /nfs/dbraw/zinc/04/69/35/1288046935.db2.gz GDHDRWQOUPIAGU-DLBZAZTESA-N 1 3 343.556 2.510 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036754927 1283423177 /nfs/dbraw/zinc/42/31/77/1283423177.db2.gz NVYAMEOYSTZQNP-DOTOQJQBSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001036754927 1283423181 /nfs/dbraw/zinc/42/31/81/1283423181.db2.gz NVYAMEOYSTZQNP-DOTOQJQBSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222884 1283510972 /nfs/dbraw/zinc/51/09/72/1283510972.db2.gz QYLYNOHFIWGVAL-ZEDVSWOJSA-N 1 3 349.906 2.798 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001093222884 1283510981 /nfs/dbraw/zinc/51/09/81/1283510981.db2.gz QYLYNOHFIWGVAL-ZEDVSWOJSA-N 1 3 349.906 2.798 20 0 EFADHO CCCC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093221702 1283511931 /nfs/dbraw/zinc/51/19/31/1283511931.db2.gz BRKXNKYSXRXZMW-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CCCC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093221702 1283511939 /nfs/dbraw/zinc/51/19/39/1283511939.db2.gz BRKXNKYSXRXZMW-VQIMIIECSA-N 1 3 331.504 2.846 20 0 EFADHO CC(=O)Oc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000124131035 1287647602 /nfs/dbraw/zinc/64/76/02/1287647602.db2.gz HKVHWRNAGZTOSU-UHFFFAOYSA-N 1 3 346.471 2.689 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132437178 1283576500 /nfs/dbraw/zinc/57/65/00/1283576500.db2.gz RAVVDBHJQNWFDP-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132437178 1283576513 /nfs/dbraw/zinc/57/65/13/1283576513.db2.gz RAVVDBHJQNWFDP-PKOBYXMFSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CN1Cc1ccccc1 ZINC001132437949 1283578865 /nfs/dbraw/zinc/57/88/65/1283578865.db2.gz ZIFSWWLTLPEMLR-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132437654 1283579423 /nfs/dbraw/zinc/57/94/23/1283579423.db2.gz WWQRLPDCXDFELD-ZWKOTPCHSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437654 1283579429 /nfs/dbraw/zinc/57/94/29/1283579429.db2.gz WWQRLPDCXDFELD-ZWKOTPCHSA-N 1 3 341.540 2.504 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360508 1283781088 /nfs/dbraw/zinc/78/10/88/1283781088.db2.gz CHHRKYJFLNGZII-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093360508 1283781100 /nfs/dbraw/zinc/78/11/00/1283781100.db2.gz CHHRKYJFLNGZII-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093362669 1283787359 /nfs/dbraw/zinc/78/73/59/1283787359.db2.gz VRVMLKLKFDHQQL-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001093362669 1283787367 /nfs/dbraw/zinc/78/73/67/1283787367.db2.gz VRVMLKLKFDHQQL-OALUTQOASA-N 1 3 347.547 2.830 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377260 1283829852 /nfs/dbraw/zinc/82/98/52/1283829852.db2.gz HSGRMTREUMFHKI-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001093377260 1283829856 /nfs/dbraw/zinc/82/98/56/1283829856.db2.gz HSGRMTREUMFHKI-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378985 1283834133 /nfs/dbraw/zinc/83/41/33/1283834133.db2.gz XIDNSXUYCRXDBP-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093378985 1283834143 /nfs/dbraw/zinc/83/41/43/1283834143.db2.gz XIDNSXUYCRXDBP-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379714 1283838076 /nfs/dbraw/zinc/83/80/76/1283838076.db2.gz GZMSYSKVGPKCJI-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC001093379714 1283838082 /nfs/dbraw/zinc/83/80/82/1283838082.db2.gz GZMSYSKVGPKCJI-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384347 1283861247 /nfs/dbraw/zinc/86/12/47/1283861247.db2.gz WUSYYFWXXCKRAC-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093384347 1283861263 /nfs/dbraw/zinc/86/12/63/1283861263.db2.gz WUSYYFWXXCKRAC-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)Cc1ccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)nc1 ZINC001170625027 1283993142 /nfs/dbraw/zinc/99/31/42/1283993142.db2.gz QSCHWWWQPTUDGR-UHFFFAOYSA-N 1 3 328.504 2.877 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036821359 1284062098 /nfs/dbraw/zinc/06/20/98/1284062098.db2.gz YTVCAHHDOAVRDC-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036821359 1284062112 /nfs/dbraw/zinc/06/21/12/1284062112.db2.gz YTVCAHHDOAVRDC-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)C1 ZINC001176057182 1287687889 /nfs/dbraw/zinc/68/78/89/1287687889.db2.gz MZQDBEKJJFSZKD-CYBMUJFWSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCc2cccc(Cl)c2Cl)C1 ZINC001176057182 1287687892 /nfs/dbraw/zinc/68/78/92/1287687892.db2.gz MZQDBEKJJFSZKD-CYBMUJFWSA-N 1 3 344.286 2.541 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001036829625 1284170243 /nfs/dbraw/zinc/17/02/43/1284170243.db2.gz IOZLEZSHOPVFEB-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001036829625 1284170249 /nfs/dbraw/zinc/17/02/49/1284170249.db2.gz IOZLEZSHOPVFEB-MJGOQNOKSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001036829623 1284170568 /nfs/dbraw/zinc/17/05/68/1284170568.db2.gz IOZLEZSHOPVFEB-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001036829623 1284170574 /nfs/dbraw/zinc/17/05/74/1284170574.db2.gz IOZLEZSHOPVFEB-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001036830107 1284171887 /nfs/dbraw/zinc/17/18/87/1284171887.db2.gz POKNYUVRJFNMJX-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001036830107 1284171894 /nfs/dbraw/zinc/17/18/94/1284171894.db2.gz POKNYUVRJFNMJX-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001132743158 1284216951 /nfs/dbraw/zinc/21/69/51/1284216951.db2.gz WXOXPHCSJIRYGG-RDJZCZTQSA-N 1 3 335.467 2.715 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H](C)c2cccc(F)c2)C1 ZINC001132743158 1284216961 /nfs/dbraw/zinc/21/69/61/1284216961.db2.gz WXOXPHCSJIRYGG-RDJZCZTQSA-N 1 3 335.467 2.715 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000715541039 1284233703 /nfs/dbraw/zinc/23/37/03/1284233703.db2.gz DZZXYMARIGBZST-OAGGEKHMSA-N 1 3 341.293 2.945 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000715545663 1284233738 /nfs/dbraw/zinc/23/37/38/1284233738.db2.gz ZZNCHXXLOPJQHT-XHSDSOJGSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000715545663 1284233748 /nfs/dbraw/zinc/23/37/48/1284233748.db2.gz ZZNCHXXLOPJQHT-XHSDSOJGSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1CN(C[C@]2(C)CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000828564660 1284272981 /nfs/dbraw/zinc/27/29/81/1284272981.db2.gz UXVZKYVMCYXOHQ-KFWWJZLASA-N 1 3 334.335 2.528 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086694467 1284282255 /nfs/dbraw/zinc/28/22/55/1284282255.db2.gz UAQXJOPQMVBAJS-JQHSSLGASA-N 1 3 349.544 2.995 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795486 1284308194 /nfs/dbraw/zinc/30/81/94/1284308194.db2.gz RYORTBKBIJOTFB-KRWDZBQOSA-N 1 3 335.517 2.751 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132795486 1284308201 /nfs/dbraw/zinc/30/82/01/1284308201.db2.gz RYORTBKBIJOTFB-KRWDZBQOSA-N 1 3 335.517 2.751 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086695120 1284337738 /nfs/dbraw/zinc/33/77/38/1284337738.db2.gz BYLDAKBMXOYMFZ-ZCNNSNEGSA-N 1 3 343.515 2.934 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132889108 1284424348 /nfs/dbraw/zinc/42/43/48/1284424348.db2.gz WRJMSAVHQIPENR-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132888927 1284424439 /nfs/dbraw/zinc/42/44/39/1284424439.db2.gz SWHNHDFYDOVQAD-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132889107 1284424532 /nfs/dbraw/zinc/42/45/32/1284424532.db2.gz WRJMSAVHQIPENR-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888929 1284424591 /nfs/dbraw/zinc/42/45/91/1284424591.db2.gz SWHNHDFYDOVQAD-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CCCCCF ZINC001132892342 1284427351 /nfs/dbraw/zinc/42/73/51/1284427351.db2.gz DPUHEQRBJNSHHV-IRXDYDNUSA-N 1 3 341.515 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001132937102 1284488661 /nfs/dbraw/zinc/48/86/61/1284488661.db2.gz GKQOXUOQNLFBGE-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001093822091 1284542414 /nfs/dbraw/zinc/54/24/14/1284542414.db2.gz KNAJTSJRXHFKNS-NSISKUIASA-N 1 3 343.515 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001093824531 1284543989 /nfs/dbraw/zinc/54/39/89/1284543989.db2.gz ZPAUUCJLVSJTAC-LZQZEXGQSA-N 1 3 347.547 2.591 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1)N(C)C ZINC001093839195 1284555091 /nfs/dbraw/zinc/55/50/91/1284555091.db2.gz CAHUIBWAYSXBGO-NXHRZFHOSA-N 1 3 337.552 2.693 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1)N(C)C ZINC001093857579 1284572647 /nfs/dbraw/zinc/57/26/47/1284572647.db2.gz MHYZLVDZKDUWEZ-MISYRCLQSA-N 1 3 345.531 2.828 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1)N(C)C ZINC001093859315 1284573685 /nfs/dbraw/zinc/57/36/85/1284573685.db2.gz TUQIUXRUGRTEAQ-BHIYHBOVSA-N 1 3 331.504 2.519 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1)N(C)C ZINC001094020698 1284713954 /nfs/dbraw/zinc/71/39/54/1284713954.db2.gz VMPQWFKSFQFJIB-DJIMGWMZSA-N 1 3 337.533 2.518 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCCCC3)[C@H](C)C2)C1 ZINC001094042775 1284730706 /nfs/dbraw/zinc/73/07/06/1284730706.db2.gz ZITPILDKNORDIB-QWFCFKBJSA-N 1 3 349.563 2.983 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)c1 ZINC001094049490 1284732845 /nfs/dbraw/zinc/73/28/45/1284732845.db2.gz WGIZHNYASCKQQI-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1)N(C)C ZINC001094049453 1284733239 /nfs/dbraw/zinc/73/32/39/1284733239.db2.gz TUQIUXRUGRTEAQ-QRQLOZEOSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1)N(C)C ZINC001094049311 1284733624 /nfs/dbraw/zinc/73/36/24/1284733624.db2.gz QWBCVLSLZKUHFX-NXHRZFHOSA-N 1 3 335.536 2.591 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110153334 1284749295 /nfs/dbraw/zinc/74/92/95/1284749295.db2.gz UCKMXURCVOTLDW-AABGKKOBSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001133135334 1284849093 /nfs/dbraw/zinc/84/90/93/1284849093.db2.gz POSUVQIZKWAAAB-FUHWJXTLSA-N 1 3 346.519 2.997 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001133135813 1284851404 /nfs/dbraw/zinc/85/14/04/1284851404.db2.gz XKWIWCRTISUDCP-CVEARBPZSA-N 1 3 334.508 2.853 20 0 EFADHO CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135795 1284851491 /nfs/dbraw/zinc/85/14/91/1284851491.db2.gz XCRVHWHVKKITEJ-MBZYTVFJSA-N 1 3 332.492 2.773 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133177764 1284935698 /nfs/dbraw/zinc/93/56/98/1284935698.db2.gz HHJSZTLKLAMCCA-RDJZCZTQSA-N 1 3 337.533 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133178535 1284936573 /nfs/dbraw/zinc/93/65/73/1284936573.db2.gz SQWKFQKHTMCPEP-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133178120 1284937475 /nfs/dbraw/zinc/93/74/75/1284937475.db2.gz KYDHHGWZDSSDCW-IRXDYDNUSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133181396 1284942852 /nfs/dbraw/zinc/94/28/52/1284942852.db2.gz AKRLWEZNYKIPLK-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133185989 1284952276 /nfs/dbraw/zinc/95/22/76/1284952276.db2.gz LSEWIBCWVJNSPL-ROUUACIJSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCF)C1 ZINC001133186435 1284953809 /nfs/dbraw/zinc/95/38/09/1284953809.db2.gz VFLYWUMRLGVYKW-MSOLQXFVSA-N 1 3 343.531 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133190793 1284964955 /nfs/dbraw/zinc/96/49/55/1284964955.db2.gz IOVWUTMSSAFYKP-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133190177 1284966088 /nfs/dbraw/zinc/96/60/88/1284966088.db2.gz FBZGVKVELCXHRQ-MJGOQNOKSA-N 1 3 331.504 2.603 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133194205 1284970889 /nfs/dbraw/zinc/97/08/89/1284970889.db2.gz AJFWNXIRTTWIBA-HKUYNNGSSA-N 1 3 335.536 2.593 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001133194206 1284971166 /nfs/dbraw/zinc/97/11/66/1284971166.db2.gz AJFWNXIRTTWIBA-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194625 1284972607 /nfs/dbraw/zinc/97/26/07/1284972607.db2.gz IEIKFRLHZAATSS-MOPGFXCFSA-N 1 3 335.536 2.759 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]C/C=C\Cl)C2)CC1 ZINC001133195774 1284974872 /nfs/dbraw/zinc/97/48/72/1284974872.db2.gz STPYEPPAUMMSJL-DHVVRSMGSA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413989 1285039831 /nfs/dbraw/zinc/03/98/31/1285039831.db2.gz ODAOVNUEYLJTMK-NLWGTHIKSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCN3C(C)C)CCC[C@@H]12 ZINC001094413989 1285039837 /nfs/dbraw/zinc/03/98/37/1285039837.db2.gz ODAOVNUEYLJTMK-NLWGTHIKSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133275356 1285114706 /nfs/dbraw/zinc/11/47/06/1285114706.db2.gz RTUWKSLXLIDHSH-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133275041 1285114781 /nfs/dbraw/zinc/11/47/81/1285114781.db2.gz OLNCWVKYQHDZSP-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133274527 1285115722 /nfs/dbraw/zinc/11/57/22/1285115722.db2.gz JRGPYZJXTVRNFR-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133275873 1285115823 /nfs/dbraw/zinc/11/58/23/1285115823.db2.gz XTVJMISFLUSHJX-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO C[C@H](NCCNC(=O)C1CC[NH+](C)CC1)c1ccc(F)c(Cl)c1 ZINC001133286047 1285123483 /nfs/dbraw/zinc/12/34/83/1285123483.db2.gz USANJDKTWUVFHS-LBPRGKRZSA-N 1 3 341.858 2.588 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133346772 1285213315 /nfs/dbraw/zinc/21/33/15/1285213315.db2.gz PBUZNJYFQHRJOE-QUCCMNQESA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133346771 1285214285 /nfs/dbraw/zinc/21/42/85/1285214285.db2.gz PBUZNJYFQHRJOE-ICSRJNTNSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341567 1285221435 /nfs/dbraw/zinc/22/14/35/1285221435.db2.gz IACZKFGAOFNEOH-SJLPKXTDSA-N 1 3 331.504 2.846 20 0 EFADHO CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C ZINC001133341568 1285221664 /nfs/dbraw/zinc/22/16/64/1285221664.db2.gz IACZKFGAOFNEOH-WMZOPIPTSA-N 1 3 331.504 2.846 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345544 1285227374 /nfs/dbraw/zinc/22/73/74/1285227374.db2.gz DNOPRESVPGXNTB-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346363 1285228943 /nfs/dbraw/zinc/22/89/43/1285228943.db2.gz LYFRUTYDCYMHGQ-FUHWJXTLSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345883 1285229167 /nfs/dbraw/zinc/22/91/67/1285229167.db2.gz ICVZWUFBRLKXRF-QZTJIDSGSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133347762 1285236751 /nfs/dbraw/zinc/23/67/51/1285236751.db2.gz ZIDHWKOUPKNAFM-FUHWJXTLSA-N 1 3 337.552 2.837 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(C)C1CCC1 ZINC001133398269 1285316313 /nfs/dbraw/zinc/31/63/13/1285316313.db2.gz NGMADIQLBKIDKO-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN(CC)CC ZINC001133408038 1285368786 /nfs/dbraw/zinc/36/87/86/1285368786.db2.gz TVRHSJWTZQSERE-UHFFFAOYSA-N 1 3 325.884 2.620 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCF)C2)c1 ZINC001036902867 1285383169 /nfs/dbraw/zinc/38/31/69/1285383169.db2.gz RDIXMLWCOLPQSE-MOPGFXCFSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3CCCF)C2)c1 ZINC001036902867 1285383177 /nfs/dbraw/zinc/38/31/77/1285383177.db2.gz RDIXMLWCOLPQSE-MOPGFXCFSA-N 1 3 347.478 2.644 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902942 1285385714 /nfs/dbraw/zinc/38/57/14/1285385714.db2.gz SJTPSFRLLSOVNX-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@H]21 ZINC001036902942 1285385722 /nfs/dbraw/zinc/38/57/22/1285385722.db2.gz SJTPSFRLLSOVNX-UYAOXDASSA-N 1 3 343.515 2.941 20 0 EFADHO C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc(N2CC[NH2+]CC2)c1 ZINC001170686042 1285393455 /nfs/dbraw/zinc/39/34/55/1285393455.db2.gz LRYDIEHMDJARFL-INIZCTEOSA-N 1 3 347.466 2.969 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001171498375 1285584498 /nfs/dbraw/zinc/58/44/98/1285584498.db2.gz AMGQJUBQYGFXKD-XJKSGUPXSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001171508962 1285616112 /nfs/dbraw/zinc/61/61/12/1285616112.db2.gz KHTAJCOXHFIHLW-QWHCGFSZSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001171508340 1285616927 /nfs/dbraw/zinc/61/69/27/1285616927.db2.gz CPGZNIDEMFCARR-QWHCGFSZSA-N 1 3 325.419 2.544 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC(N)C2)C[C@H]1C(C)(C)C ZINC001171592285 1285640283 /nfs/dbraw/zinc/64/02/83/1285640283.db2.gz BMHBXEJIBPKRQQ-JYVUQVBGSA-N 1 3 325.497 2.880 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1nsc2ccccc12 ZINC001171579302 1285659152 /nfs/dbraw/zinc/65/91/52/1285659152.db2.gz SWMOJHUWIITYNF-UHFFFAOYSA-N 1 3 348.516 2.624 20 0 EFADHO CN1C(C)(C)CC([NH2+]C2CCN(c3ncccn3)CC2)CC1(C)C ZINC001171618714 1285680601 /nfs/dbraw/zinc/68/06/01/1285680601.db2.gz AQHYEOOLMGNWJW-UHFFFAOYSA-N 1 3 331.508 2.686 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC1(C)C ZINC001171636633 1285715750 /nfs/dbraw/zinc/71/57/50/1285715750.db2.gz HCHUJRRATMFZOA-UHFFFAOYSA-N 1 3 333.520 2.725 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CC3CC2(C(=O)N2CCCC2)C3)CC1(C)C ZINC001171636633 1285715758 /nfs/dbraw/zinc/71/57/58/1285715758.db2.gz HCHUJRRATMFZOA-UHFFFAOYSA-N 1 3 333.520 2.725 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001171725047 1285743296 /nfs/dbraw/zinc/74/32/96/1285743296.db2.gz FRCZTYKNUGFPNH-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cc(F)ccc1Cl ZINC001171725047 1285743303 /nfs/dbraw/zinc/74/33/03/1285743303.db2.gz FRCZTYKNUGFPNH-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001171770361 1285776704 /nfs/dbraw/zinc/77/67/04/1285776704.db2.gz OPGVOAHLSWHSGV-CYBMUJFWSA-N 1 3 343.874 2.978 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+](CC)CC ZINC001133684504 1285776883 /nfs/dbraw/zinc/77/68/83/1285776883.db2.gz IQDXPCWMKZKZGC-KRWDZBQOSA-N 1 3 331.460 2.759 20 0 EFADHO CC[C@@H](C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC001133689613 1285785420 /nfs/dbraw/zinc/78/54/20/1285785420.db2.gz APSWSOZFKNROPE-DYVFJYSZSA-N 1 3 341.446 2.852 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975067 1285957348 /nfs/dbraw/zinc/95/73/48/1285957348.db2.gz CBZZZBVLXXWXMD-IAGOWNOFSA-N 1 3 329.488 2.544 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975067 1285957353 /nfs/dbraw/zinc/95/73/53/1285957353.db2.gz CBZZZBVLXXWXMD-IAGOWNOFSA-N 1 3 329.488 2.544 20 0 EFADHO CN(C)C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976174 1285959362 /nfs/dbraw/zinc/95/93/62/1285959362.db2.gz IVKYCBLAAQXQEV-WOJBJXKFSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976174 1285959371 /nfs/dbraw/zinc/95/93/71/1285959371.db2.gz IVKYCBLAAQXQEV-WOJBJXKFSA-N 1 3 345.531 2.692 20 0 EFADHO CC1(C)C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CCN1Cc1ccccc1 ZINC001171984720 1285964241 /nfs/dbraw/zinc/96/42/41/1285964241.db2.gz XYLUPBQJTUKPPS-GJZGRUSLSA-N 1 3 330.394 2.942 20 0 EFADHO C[C@H](CN)C[N@H+](C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988357 1285966959 /nfs/dbraw/zinc/96/69/59/1285966959.db2.gz GGSUKEFYDJCHAW-CYBMUJFWSA-N 1 3 340.309 2.945 20 0 EFADHO C[C@H](CN)C[N@@H+](C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988357 1285966964 /nfs/dbraw/zinc/96/69/64/1285966964.db2.gz GGSUKEFYDJCHAW-CYBMUJFWSA-N 1 3 340.309 2.945 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001133819931 1285975622 /nfs/dbraw/zinc/97/56/22/1285975622.db2.gz RXBQXGCPFLNDDA-INIZCTEOSA-N 1 3 331.504 2.674 20 0 EFADHO CN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073937 1285992794 /nfs/dbraw/zinc/99/27/94/1285992794.db2.gz FKAOICCDQLKNEM-SSTJLMRISA-N 1 3 325.500 2.960 20 0 EFADHO CN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073937 1285992799 /nfs/dbraw/zinc/99/27/99/1285992799.db2.gz FKAOICCDQLKNEM-SSTJLMRISA-N 1 3 325.500 2.960 20 0 EFADHO CNC(=O)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074699 1285995616 /nfs/dbraw/zinc/99/56/16/1285995616.db2.gz KPLAHQJFBDMAFS-BWTSREIZSA-N 1 3 329.488 2.640 20 0 EFADHO CNC(=O)CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074699 1285995619 /nfs/dbraw/zinc/99/56/19/1285995619.db2.gz KPLAHQJFBDMAFS-BWTSREIZSA-N 1 3 329.488 2.640 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078912 1285996632 /nfs/dbraw/zinc/99/66/32/1285996632.db2.gz KFJGOZQCPBNAPG-AKHDSKFASA-N 1 3 341.499 2.686 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078912 1285996639 /nfs/dbraw/zinc/99/66/39/1285996639.db2.gz KFJGOZQCPBNAPG-AKHDSKFASA-N 1 3 341.499 2.686 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)C2 ZINC001172100501 1286005416 /nfs/dbraw/zinc/00/54/16/1286005416.db2.gz CWFANJNGHBKJCW-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(CN3CCOCC3)c1)C2 ZINC001172100501 1286005426 /nfs/dbraw/zinc/00/54/26/1286005426.db2.gz CWFANJNGHBKJCW-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1cccc(CN3CCOCC3)c1)C2 ZINC001172100501 1286005434 /nfs/dbraw/zinc/00/54/34/1286005434.db2.gz CWFANJNGHBKJCW-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc2ccccc2c1 ZINC001133850643 1286012355 /nfs/dbraw/zinc/01/23/55/1286012355.db2.gz OTCQRSKNQJZVQG-SJORKVTESA-N 1 3 339.483 2.948 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001133851062 1286012624 /nfs/dbraw/zinc/01/26/24/1286012624.db2.gz WBIDIVOAASXMOJ-AOCRQIFASA-N 1 3 337.552 2.887 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172129821 1286013016 /nfs/dbraw/zinc/01/30/16/1286013016.db2.gz DGJQYYDGNZYUQY-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172129821 1286013019 /nfs/dbraw/zinc/01/30/19/1286013019.db2.gz DGJQYYDGNZYUQY-VSZNYVQBSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@@H](C)C1)c1ccc2ccccc2c1 ZINC001133850640 1286013077 /nfs/dbraw/zinc/01/30/77/1286013077.db2.gz OTCQRSKNQJZVQG-IAGOWNOFSA-N 1 3 339.483 2.948 20 0 EFADHO CCC/C=C\CC[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133850667 1286013130 /nfs/dbraw/zinc/01/31/30/1286013130.db2.gz PLEBMTLKNJVVDL-ZEVQVBBLSA-N 1 3 327.488 2.651 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001133850624 1286013277 /nfs/dbraw/zinc/01/32/77/1286013277.db2.gz OOQJIZJVHFFMGX-LJQANCHMSA-N 1 3 341.515 2.875 20 0 EFADHO COc1ccnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001172132472 1286015369 /nfs/dbraw/zinc/01/53/69/1286015369.db2.gz LNIRMNVMVPMVTC-MUQADHOPSA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@@H]2CCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001172132472 1286015373 /nfs/dbraw/zinc/01/53/73/1286015373.db2.gz LNIRMNVMVPMVTC-MUQADHOPSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC1COC1 ZINC001172104269 1286021442 /nfs/dbraw/zinc/02/14/42/1286021442.db2.gz BQSAGSZVOPCNDW-BJWYYQGGSA-N 1 3 346.471 2.578 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC001172104372 1286021542 /nfs/dbraw/zinc/02/15/42/1286021542.db2.gz CBEAOBLKZFCLHS-FCHSSTLOSA-N 1 3 325.500 2.722 20 0 EFADHO COCCOc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc1OC ZINC001172109019 1286021831 /nfs/dbraw/zinc/02/18/31/1286021831.db2.gz BKHOMKLSSUPJRQ-BCDXTJNWSA-N 1 3 348.487 2.825 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(NC(=O)OC(C)(C)C)CC1)C2 ZINC001172109422 1286023306 /nfs/dbraw/zinc/02/33/06/1286023306.db2.gz DAOFGCCCMUJPKY-BJWYYQGGSA-N 1 3 337.508 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(NC(=O)OC(C)(C)C)CC1)C2 ZINC001172109422 1286023310 /nfs/dbraw/zinc/02/33/10/1286023310.db2.gz DAOFGCCCMUJPKY-BJWYYQGGSA-N 1 3 337.508 2.991 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3(C)COC3)nc1)C2 ZINC001172110671 1286023500 /nfs/dbraw/zinc/02/35/00/1286023500.db2.gz LGMONXXWCHUOFO-BCDXTJNWSA-N 1 3 345.487 2.602 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(OCC3(C)COC3)nc1)C2 ZINC001172110672 1286023871 /nfs/dbraw/zinc/02/38/71/1286023871.db2.gz LGMONXXWCHUOFO-NNZMDNLPSA-N 1 3 345.487 2.602 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001133845812 1286024018 /nfs/dbraw/zinc/02/40/18/1286024018.db2.gz NUHJREJZVSDLDW-INIZCTEOSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC001133845825 1286024390 /nfs/dbraw/zinc/02/43/90/1286024390.db2.gz OCTIQZRCJDBWAM-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001133845972 1286024886 /nfs/dbraw/zinc/02/48/86/1286024886.db2.gz QWNXWBBIBKIFCH-IRXDYDNUSA-N 1 3 331.504 2.919 20 0 EFADHO COc1ccccc1N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172115396 1286024903 /nfs/dbraw/zinc/02/49/03/1286024903.db2.gz XAWDFQCGYQFIMZ-BCDXTJNWSA-N 1 3 329.488 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001133846263 1286025176 /nfs/dbraw/zinc/02/51/76/1286025176.db2.gz XNQGTJPCSLJOJL-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001133846164 1286025574 /nfs/dbraw/zinc/02/55/74/1286025574.db2.gz VHMPKHZNVZHUBM-KRWDZBQOSA-N 1 3 343.515 2.892 20 0 EFADHO CCOC(=O)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172115657 1286025750 /nfs/dbraw/zinc/02/57/50/1286025750.db2.gz UWSQBMKIWPTUTE-OKYOBFRVSA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@@H](CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172115657 1286025753 /nfs/dbraw/zinc/02/57/53/1286025753.db2.gz UWSQBMKIWPTUTE-OKYOBFRVSA-N 1 3 330.472 2.938 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133856546 1286031150 /nfs/dbraw/zinc/03/11/50/1286031150.db2.gz ISZLXYNNRXIWAA-CRAIPNDOSA-N 1 3 329.504 2.587 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133849684 1286031429 /nfs/dbraw/zinc/03/14/29/1286031429.db2.gz BVEFIJFCNYIGQL-OXJNMPFZSA-N 1 3 349.494 2.974 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)[C@@H]1CSc2ccccc2C1 ZINC001172204323 1286050744 /nfs/dbraw/zinc/05/07/44/1286050744.db2.gz ZCROFQAKAHMPSG-INIZCTEOSA-N 1 3 336.501 2.520 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)[C@@H]1CSc2ccccc2C1 ZINC001172204323 1286050747 /nfs/dbraw/zinc/05/07/47/1286050747.db2.gz ZCROFQAKAHMPSG-INIZCTEOSA-N 1 3 336.501 2.520 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCNC(=O)CN1CCC(C)(C)C1 ZINC001133896276 1286076373 /nfs/dbraw/zinc/07/63/73/1286076373.db2.gz GLPQDSGRROTQHI-UHFFFAOYSA-N 1 3 331.504 2.748 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001133896011 1286076559 /nfs/dbraw/zinc/07/65/59/1286076559.db2.gz AONINVHXXBWIRV-UHFFFAOYSA-N 1 3 345.531 2.823 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001133897088 1286077554 /nfs/dbraw/zinc/07/75/54/1286077554.db2.gz YPLLMFDATHTGOA-SFHVURJKSA-N 1 3 329.488 2.502 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc3ccccc3c2)C1 ZINC001133896464 1286077569 /nfs/dbraw/zinc/07/75/69/1286077569.db2.gz KCTNNEQTZWSIAE-UHFFFAOYSA-N 1 3 339.483 2.778 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001133897125 1286077628 /nfs/dbraw/zinc/07/76/28/1286077628.db2.gz ZUDCTHOCVAOXRJ-KRWDZBQOSA-N 1 3 331.504 2.802 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2cccc3cccnc32)CC1 ZINC001172246956 1286077747 /nfs/dbraw/zinc/07/77/47/1286077747.db2.gz DZVJDMZMHOMZMF-UHFFFAOYSA-N 1 3 343.471 2.704 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001165718455 1312670077 /nfs/dbraw/zinc/67/00/77/1312670077.db2.gz KRLREDXWWYYAEK-RTBURBONSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc2c(c1)CCC2 ZINC001133905595 1286088076 /nfs/dbraw/zinc/08/80/76/1286088076.db2.gz DQAWBLJHMXLVAZ-MRXNPFEDSA-N 1 3 345.531 2.920 20 0 EFADHO CN(CC(=O)NCC[NH2+]CCCCOc1ccccc1)CC(C)(C)C ZINC001133908486 1286092453 /nfs/dbraw/zinc/09/24/53/1286092453.db2.gz UDONHXFVANJIHM-UHFFFAOYSA-N 1 3 349.519 2.529 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001165718382 1312670134 /nfs/dbraw/zinc/67/01/34/1312670134.db2.gz JNTWZIUHPJZKIO-QGZVFWFLSA-N 1 3 335.536 2.783 20 0 EFADHO CC1(C)C[C@@H]([NH+]2CCC3(CCN(Cc4cccnc4)C3)CC2)CO1 ZINC001172287926 1286106067 /nfs/dbraw/zinc/10/60/67/1286106067.db2.gz QMXDOSGSPSNBJS-GOSISDBHSA-N 1 3 329.488 2.937 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2ccccc2c1)N(C)C ZINC001133967931 1286173503 /nfs/dbraw/zinc/17/35/03/1286173503.db2.gz IDDGBCJFOUKLPP-KXBFYZLASA-N 1 3 327.472 2.947 20 0 EFADHO Cc1cc(N[C@H]2CC[C@H](N3CC[NH+](CC4CC4)CC3)CC2)nc(C)n1 ZINC001170715535 1286179372 /nfs/dbraw/zinc/17/93/72/1286179372.db2.gz WRRZRDAVFVRBNR-WGSAOQKQSA-N 1 3 343.519 2.844 20 0 EFADHO COC(=O)[C@H]1CCC[C@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001172601220 1286196338 /nfs/dbraw/zinc/19/63/38/1286196338.db2.gz DUMXZYAPFVORSJ-WMZOPIPTSA-N 1 3 348.462 2.893 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001172601258 1286196643 /nfs/dbraw/zinc/19/66/43/1286196643.db2.gz FAOSBLQCCSMLSA-RTBURBONSA-N 1 3 345.487 2.615 20 0 EFADHO C[C@@H](Cc1c(F)cccc1Cl)N1CCN(CCCC[NH3+])CC1 ZINC001172848998 1286301764 /nfs/dbraw/zinc/30/17/64/1286301764.db2.gz ICGWXALFLFFXCN-AWEZNQCLSA-N 1 3 327.875 2.767 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@@H](OC)C1)C2 ZINC001172938602 1286342105 /nfs/dbraw/zinc/34/21/05/1286342105.db2.gz ROVPEMWNROXZFI-IYWMVGAKSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@@H](OC)C1)C2 ZINC001172938602 1286342115 /nfs/dbraw/zinc/34/21/15/1286342115.db2.gz ROVPEMWNROXZFI-IYWMVGAKSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@H](OC)C1)C2 ZINC001172938598 1286342593 /nfs/dbraw/zinc/34/25/93/1286342593.db2.gz ROVPEMWNROXZFI-FUMNGEBKSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@H](OC)C1)C2 ZINC001172938598 1286342601 /nfs/dbraw/zinc/34/26/01/1286342601.db2.gz ROVPEMWNROXZFI-FUMNGEBKSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H]1CC[C@H](N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001173074714 1286409548 /nfs/dbraw/zinc/40/95/48/1286409548.db2.gz ICHTZJSFQRIEII-OAFZBRQQSA-N 1 3 337.508 2.658 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173135993 1286424179 /nfs/dbraw/zinc/42/41/79/1286424179.db2.gz ZFYOTHTXBZCTLU-VQIMIIECSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)[N@H+]1CCOC[C@]2(CCCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173135993 1286424181 /nfs/dbraw/zinc/42/41/81/1286424181.db2.gz ZFYOTHTXBZCTLU-VQIMIIECSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]C/C=C\Cl)C12CCC2)N1CCCC1 ZINC001203259478 1289074723 /nfs/dbraw/zinc/07/47/23/1289074723.db2.gz WTNJXOPXRXOFOW-XDHNQJSPSA-N 1 3 339.911 2.630 20 0 EFADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095061272 1286470963 /nfs/dbraw/zinc/47/09/63/1286470963.db2.gz SMVMGQNOBKCITK-UHOSZYNNSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095061771 1286471028 /nfs/dbraw/zinc/47/10/28/1286471028.db2.gz BCTZEPTVEWCVQZ-UHOSZYNNSA-N 1 3 343.515 2.987 20 0 EFADHO CCN(CC)CCC[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173395884 1286558687 /nfs/dbraw/zinc/55/86/87/1286558687.db2.gz HFZXEPFZAFRRTE-UHFFFAOYSA-N 1 3 347.503 2.621 20 0 EFADHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCCC(=O)OC)CC1 ZINC001173458829 1286612573 /nfs/dbraw/zinc/61/25/73/1286612573.db2.gz ZOQSOMANXFZMDF-FUHWJXTLSA-N 1 3 340.508 2.684 20 0 EFADHO CCOCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001170749755 1286674691 /nfs/dbraw/zinc/67/46/91/1286674691.db2.gz BVQRZVNPORMYJF-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCC([NH3+])(Cc3cccnc3)CC2)C1 ZINC001173630906 1286723966 /nfs/dbraw/zinc/72/39/66/1286723966.db2.gz BGOBDZADRADLIU-FUHWJXTLSA-N 1 3 345.487 2.539 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001170750790 1286725561 /nfs/dbraw/zinc/72/55/61/1286725561.db2.gz NPXMLJZZJSULPZ-MSOLQXFVSA-N 1 3 341.540 2.549 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCC([NH3+])(Cc3ccccn3)CC2)C1 ZINC001173633476 1286727982 /nfs/dbraw/zinc/72/79/82/1286727982.db2.gz LFEHGMVSLMVEAD-FUHWJXTLSA-N 1 3 345.487 2.539 20 0 EFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001095240899 1286732567 /nfs/dbraw/zinc/73/25/67/1286732567.db2.gz IOOAUESMJGVTAL-DTXIXCGYSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001095240899 1286732573 /nfs/dbraw/zinc/73/25/73/1286732573.db2.gz IOOAUESMJGVTAL-DTXIXCGYSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001095240899 1286732576 /nfs/dbraw/zinc/73/25/76/1286732576.db2.gz IOOAUESMJGVTAL-DTXIXCGYSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001095240899 1286732579 /nfs/dbraw/zinc/73/25/79/1286732579.db2.gz IOOAUESMJGVTAL-DTXIXCGYSA-N 1 3 339.483 2.516 20 0 EFADHO O=C(NCCCCCCC[NH+]1CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000747953439 1286771857 /nfs/dbraw/zinc/77/18/57/1286771857.db2.gz ASIGLXDZDCENDG-QGZVFWFLSA-N 1 3 336.524 2.569 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134582891 1286917481 /nfs/dbraw/zinc/91/74/81/1286917481.db2.gz BELRGMOQFNUYLA-ZWKOTPCHSA-N 1 3 345.531 2.976 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134583534 1286917598 /nfs/dbraw/zinc/91/75/98/1286917598.db2.gz MFHFDPRBURXOQF-HUUCEWRRSA-N 1 3 335.467 2.683 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CCc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134584166 1286918275 /nfs/dbraw/zinc/91/82/75/1286918275.db2.gz RDTKQUBQGRTCAW-HZPDHXFCSA-N 1 3 349.494 2.725 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583994 1286918489 /nfs/dbraw/zinc/91/84/89/1286918489.db2.gz PYYXXAGSBLLYEZ-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134611742 1286947283 /nfs/dbraw/zinc/94/72/83/1286947283.db2.gz BEMLYDBZPCJEPN-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001134612352 1286950028 /nfs/dbraw/zinc/95/00/28/1286950028.db2.gz LOBFQDQGDYPLPT-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1F ZINC001134612351 1286950299 /nfs/dbraw/zinc/95/02/99/1286950299.db2.gz LOBFQDQGDYPLPT-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c(C)n1 ZINC001134608179 1286969188 /nfs/dbraw/zinc/96/91/88/1286969188.db2.gz RTXAAYJUNMYQDO-CVEARBPZSA-N 1 3 346.519 2.556 20 0 EFADHO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134607650 1286969531 /nfs/dbraw/zinc/96/95/31/1286969531.db2.gz JEQFOCRMKVWRKF-JKSUJKDBSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1csc(CNCCCCCCNC(=O)CCC[NH+](C)C)n1 ZINC001179400052 1289122605 /nfs/dbraw/zinc/12/26/05/1289122605.db2.gz KKNFQXVTAQNYER-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001174682214 1287111760 /nfs/dbraw/zinc/11/17/60/1287111760.db2.gz GKZBSWWUPIREQV-UHFFFAOYSA-N 1 3 342.468 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1cccc2ccccc21 ZINC001174682254 1287111905 /nfs/dbraw/zinc/11/19/05/1287111905.db2.gz IJUHDLNFRPUGOT-UHFFFAOYSA-N 1 3 336.439 2.710 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C ZINC001174684087 1287113879 /nfs/dbraw/zinc/11/38/79/1287113879.db2.gz YUKJBPRMIWBKIF-UHFFFAOYSA-N 1 3 334.851 2.519 20 0 EFADHO C[C@@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+]1CCCCCC1 ZINC001134750239 1287144135 /nfs/dbraw/zinc/14/41/35/1287144135.db2.gz QITGZXLDRCKWQS-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO C[C@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+]1CCCCCC1 ZINC001134750238 1287144694 /nfs/dbraw/zinc/14/46/94/1287144694.db2.gz QITGZXLDRCKWQS-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001134763067 1287159907 /nfs/dbraw/zinc/15/99/07/1287159907.db2.gz KOYZZIVDXLJWTG-FQEVSTJZSA-N 1 3 343.515 2.644 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001134765965 1287163613 /nfs/dbraw/zinc/16/36/13/1287163613.db2.gz BJOHPTBXVBTUQF-INIZCTEOSA-N 1 3 345.478 2.781 20 0 EFADHO Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c(C)s1 ZINC001134768276 1287166806 /nfs/dbraw/zinc/16/68/06/1287166806.db2.gz AOWTZIKOHYBMRL-KRWDZBQOSA-N 1 3 337.533 2.834 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001134769234 1287166937 /nfs/dbraw/zinc/16/69/37/1287166937.db2.gz IOHFSDKJEZXVQY-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H](C)c1ccccc1F ZINC001134769234 1287166942 /nfs/dbraw/zinc/16/69/42/1287166942.db2.gz IOHFSDKJEZXVQY-YJBOKZPZSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001134770038 1287167592 /nfs/dbraw/zinc/16/75/92/1287167592.db2.gz PVKNRNBTZMWWDF-LJQANCHMSA-N 1 3 331.504 2.588 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001134773081 1287170098 /nfs/dbraw/zinc/17/00/98/1287170098.db2.gz KUHGPKKPHYSCEL-CABCVRRESA-N 1 3 337.483 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001134772298 1287170398 /nfs/dbraw/zinc/17/03/98/1287170398.db2.gz BGAPAUMTLVXKEA-NWDGAFQWSA-N 1 3 325.419 2.542 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1scnc1C ZINC001134774371 1287171615 /nfs/dbraw/zinc/17/16/15/1287171615.db2.gz XUYZGXNSNJHEJB-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001134773931 1287171681 /nfs/dbraw/zinc/17/16/81/1287171681.db2.gz RQIFNZPJEPGLIH-PBZFIDODSA-N 1 3 338.323 2.909 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C\Cl ZINC001134773931 1287171682 /nfs/dbraw/zinc/17/16/82/1287171682.db2.gz RQIFNZPJEPGLIH-PBZFIDODSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001134773666 1287171842 /nfs/dbraw/zinc/17/18/42/1287171842.db2.gz QFUKEAHHCSVMNL-NEPJUHHUSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC001134773169 1287172017 /nfs/dbraw/zinc/17/20/17/1287172017.db2.gz MVKGKIGDAJIYPG-CVEARBPZSA-N 1 3 349.519 2.798 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114484048 1287197520 /nfs/dbraw/zinc/19/75/20/1287197520.db2.gz QNPKTZCJZFBWSL-VIBAHUMZSA-N 1 3 347.478 2.663 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114484048 1287197521 /nfs/dbraw/zinc/19/75/21/1287197521.db2.gz QNPKTZCJZFBWSL-VIBAHUMZSA-N 1 3 347.478 2.663 20 0 EFADHO C[C@H](CCCCNCc1nccs1)NC(=O)CCCC[NH+](C)C ZINC001176230630 1287907074 /nfs/dbraw/zinc/90/70/74/1287907074.db2.gz LKCUJSWYKSELAS-OAHLLOKOSA-N 1 3 340.537 2.640 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1F ZINC001176280231 1287922526 /nfs/dbraw/zinc/92/25/26/1287922526.db2.gz XFFCIGUCRNUGLX-INIZCTEOSA-N 1 3 337.483 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001176284204 1287923219 /nfs/dbraw/zinc/92/32/19/1287923219.db2.gz DDHAXEYRPHVUTO-CYBMUJFWSA-N 1 3 325.419 2.545 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC=C(Cl)Cl ZINC001176286048 1287923908 /nfs/dbraw/zinc/92/39/08/1287923908.db2.gz SSGBTCQZDXRGTB-CYBMUJFWSA-N 1 3 338.323 2.912 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001176286474 1287925017 /nfs/dbraw/zinc/92/50/17/1287925017.db2.gz WMPIDWVZISJUOT-LFGHMXSPSA-N 1 3 338.323 2.912 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001176258185 1287932191 /nfs/dbraw/zinc/93/21/91/1287932191.db2.gz RDAJYPAAUKNHIH-HNNXBMFYSA-N 1 3 340.537 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1nccs1 ZINC001176258185 1287932195 /nfs/dbraw/zinc/93/21/95/1287932195.db2.gz RDAJYPAAUKNHIH-HNNXBMFYSA-N 1 3 340.537 2.640 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176350392 1287959742 /nfs/dbraw/zinc/95/97/42/1287959742.db2.gz CSOBQCBDKLQQPO-CQSZACIVSA-N 1 3 348.516 2.829 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1 ZINC001176351606 1287961239 /nfs/dbraw/zinc/96/12/39/1287961239.db2.gz VQXJOKFEWGYRRX-OAHLLOKOSA-N 1 3 328.460 2.725 20 0 EFADHO COCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481892 1288036842 /nfs/dbraw/zinc/03/68/42/1288036842.db2.gz YYCNVFAAZHGTHK-DLBZAZTESA-N 1 3 343.556 2.654 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC001135512892 1288069946 /nfs/dbraw/zinc/06/99/46/1288069946.db2.gz AXBMCRCTSQKVAK-UHFFFAOYSA-N 1 3 339.483 2.901 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)c1cccc(CN(C)C)c1 ZINC001176737596 1288088979 /nfs/dbraw/zinc/08/89/79/1288088979.db2.gz KUBLRFKFGNMEMA-INIZCTEOSA-N 1 3 337.483 2.986 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739809 1288090295 /nfs/dbraw/zinc/09/02/95/1288090295.db2.gz ZRPLIDHSYXJBNN-IRXDYDNUSA-N 1 3 349.519 2.661 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746905 1288093957 /nfs/dbraw/zinc/09/39/57/1288093957.db2.gz PATFBHUOEMEGEG-IRXDYDNUSA-N 1 3 349.519 2.661 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001165727517 1312671338 /nfs/dbraw/zinc/67/13/38/1312671338.db2.gz CAXOCINOBPDTHJ-QGZVFWFLSA-N 1 3 335.467 2.542 20 0 EFADHO Cc1csc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)n1 ZINC001176753737 1288120632 /nfs/dbraw/zinc/12/06/32/1288120632.db2.gz LXGSVWAKALTGHM-CQSZACIVSA-N 1 3 340.537 2.556 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]CCc2cccs2)c1 ZINC001176889818 1288163612 /nfs/dbraw/zinc/16/36/12/1288163612.db2.gz FJWOBVDCYPJQIJ-UHFFFAOYSA-N 1 3 345.512 2.762 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176890375 1288163956 /nfs/dbraw/zinc/16/39/56/1288163956.db2.gz RSKXEQFOXNCDDT-UHFFFAOYSA-N 1 3 339.483 2.966 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCc1ccccc1Cl ZINC001176971833 1288199513 /nfs/dbraw/zinc/19/95/13/1288199513.db2.gz JFNQOMPVHWTWCS-UHFFFAOYSA-N 1 3 339.911 2.709 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC001176972305 1288200807 /nfs/dbraw/zinc/20/08/07/1288200807.db2.gz VTAXSBSAHHWDLR-UHFFFAOYSA-N 1 3 345.409 2.642 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001176972334 1288201712 /nfs/dbraw/zinc/20/17/12/1288201712.db2.gz WUIBVAUETJGVDM-XQRVVYSFSA-N 1 3 337.895 2.789 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC001176975377 1288203132 /nfs/dbraw/zinc/20/31/32/1288203132.db2.gz OQHCUDDDCWGSQK-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1ccc(C)cc1 ZINC001176986428 1288208150 /nfs/dbraw/zinc/20/81/50/1288208150.db2.gz NXYGZLYFMAQTBC-LJQANCHMSA-N 1 3 331.504 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001176992331 1288217931 /nfs/dbraw/zinc/21/79/31/1288217931.db2.gz MMOFZTXYOBIYCU-HOTGVXAUSA-N 1 3 345.478 2.782 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001135691152 1288267376 /nfs/dbraw/zinc/26/73/76/1288267376.db2.gz PGBSIFBBGZCREQ-ROUUACIJSA-N 1 3 348.535 2.967 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001135691467 1288268221 /nfs/dbraw/zinc/26/82/21/1288268221.db2.gz UZZPWJSICSYJLG-QZTJIDSGSA-N 1 3 348.535 2.967 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccn1 ZINC001135691466 1288268356 /nfs/dbraw/zinc/26/83/56/1288268356.db2.gz UZZPWJSICSYJLG-MSOLQXFVSA-N 1 3 348.535 2.967 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001135706016 1288290718 /nfs/dbraw/zinc/29/07/18/1288290718.db2.gz NHQQTCCTVCBKNI-KGLIPLIRSA-N 1 3 325.522 2.771 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001135706103 1288291249 /nfs/dbraw/zinc/29/12/49/1288291249.db2.gz OXMYOHUBMFVFRV-MSOLQXFVSA-N 1 3 349.519 2.589 20 0 EFADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001179499000 1289170943 /nfs/dbraw/zinc/17/09/43/1289170943.db2.gz LLHRHTISLOOMOC-MRXNPFEDSA-N 1 3 347.494 2.884 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135744065 1288324814 /nfs/dbraw/zinc/32/48/14/1288324814.db2.gz VBAXFLQHJZFFIO-IRXDYDNUSA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135744066 1288325279 /nfs/dbraw/zinc/32/52/79/1288325279.db2.gz VBAXFLQHJZFFIO-SJORKVTESA-N 1 3 349.519 2.548 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135747458 1288329034 /nfs/dbraw/zinc/32/90/34/1288329034.db2.gz QLNMGUNYELVRDD-IAGOWNOFSA-N 1 3 349.519 2.718 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC001165728306 1312671425 /nfs/dbraw/zinc/67/14/25/1312671425.db2.gz PJHGPILQNRBXBW-GOSISDBHSA-N 1 3 349.494 2.872 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCCCCF ZINC001179580653 1289201823 /nfs/dbraw/zinc/20/18/23/1289201823.db2.gz LJKNDBUICPICHI-QGZVFWFLSA-N 1 3 329.504 2.877 20 0 EFADHO Cn1cnc2cc(CNCc3cccc(OCC[NH+](C)C)c3)ccc21 ZINC001177318893 1288386632 /nfs/dbraw/zinc/38/66/32/1288386632.db2.gz INCVCKDKTCSILQ-UHFFFAOYSA-N 1 3 338.455 2.804 20 0 EFADHO CCc1cccc(C[NH2+]CC2(CCNC(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC001165727532 1312671489 /nfs/dbraw/zinc/67/14/89/1312671489.db2.gz CMKUFAJHUYJUGN-LJQANCHMSA-N 1 3 345.531 2.965 20 0 EFADHO CC(C)[C@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)N(C)C ZINC001177408465 1288420808 /nfs/dbraw/zinc/42/08/08/1288420808.db2.gz ANASPFXLPRVYPY-GOSISDBHSA-N 1 3 343.531 2.931 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(CCC[NH2+]CC1CC1)CC1CCCC1 ZINC001177415987 1288424936 /nfs/dbraw/zinc/42/49/36/1288424936.db2.gz QNKZECQWVCIVHE-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177488401 1288446097 /nfs/dbraw/zinc/44/60/97/1288446097.db2.gz APBNYVKEBCLTOY-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001135857094 1288510773 /nfs/dbraw/zinc/51/07/73/1288510773.db2.gz CPLPRBMKOBQCJV-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1c(F)cccc1F ZINC001135857094 1288510781 /nfs/dbraw/zinc/51/07/81/1288510781.db2.gz CPLPRBMKOBQCJV-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)CCCC[NH+](C)C)NC/C(Cl)=C/Cl ZINC001135965807 1288689160 /nfs/dbraw/zinc/68/91/60/1288689160.db2.gz FUAHWVSIKXTEBT-OFLZDLGMSA-N 1 3 338.323 2.910 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001135980296 1288705206 /nfs/dbraw/zinc/70/52/06/1288705206.db2.gz NEZGIAPECAYFNM-JKSUJKDBSA-N 1 3 339.549 2.895 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135980948 1288706655 /nfs/dbraw/zinc/70/66/55/1288706655.db2.gz VIIOAGCXZPVMJK-HZPDHXFCSA-N 1 3 344.503 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001135980939 1288706757 /nfs/dbraw/zinc/70/67/57/1288706757.db2.gz VCOZQKURMRMSGI-QZTJIDSGSA-N 1 3 349.519 2.670 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)CN(C)C1CCC1 ZINC001178701833 1288877171 /nfs/dbraw/zinc/87/71/71/1288877171.db2.gz FWPXIDJCTBBGKD-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cnccc1C ZINC001178853247 1288944285 /nfs/dbraw/zinc/94/42/85/1288944285.db2.gz FMLYJAWZLAYQSS-UHFFFAOYSA-N 1 3 348.535 2.887 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001178815838 1288945007 /nfs/dbraw/zinc/94/50/07/1288945007.db2.gz MLMIOCZBGAFPLM-CYBMUJFWSA-N 1 3 325.419 2.545 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1 ZINC001165809415 1312685392 /nfs/dbraw/zinc/68/53/92/1312685392.db2.gz CKNCPTCALCBZTD-UHFFFAOYSA-N 1 3 337.533 2.855 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178925013 1288968019 /nfs/dbraw/zinc/96/80/19/1288968019.db2.gz AMDBLBLMSFGJLR-IHRRRGAJSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178925013 1288968023 /nfs/dbraw/zinc/96/80/23/1288968023.db2.gz AMDBLBLMSFGJLR-IHRRRGAJSA-N 1 3 348.318 2.759 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC001165809876 1312685595 /nfs/dbraw/zinc/68/55/95/1312685595.db2.gz RATDFXDIAGAXJK-UHFFFAOYSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001178902369 1288975055 /nfs/dbraw/zinc/97/50/55/1288975055.db2.gz NKPOMFQEGBJSCN-AEZOHHBGSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]2C)C1 ZINC001179538861 1289182328 /nfs/dbraw/zinc/18/23/28/1289182328.db2.gz JJKPRWVYZVFHOW-KKUMJFAQSA-N 1 3 349.441 2.640 20 0 EFADHO CCCCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538676 1289182644 /nfs/dbraw/zinc/18/26/44/1289182644.db2.gz GMDBQLQKDGZHKV-TXPKVOOTSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1[C@@H]([NH2+]C/C=C\Cl)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001179539281 1289183353 /nfs/dbraw/zinc/18/33/53/1289183353.db2.gz STSVUHOIPPYQBH-GDCKSJDASA-N 1 3 345.890 2.530 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550442 1289186647 /nfs/dbraw/zinc/18/66/47/1289186647.db2.gz WOOWRQWRGPEOCS-WMZOPIPTSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)[C@@H]1C)N(C)C ZINC001179554274 1289188649 /nfs/dbraw/zinc/18/86/49/1289188649.db2.gz YLOAXIRSPYWPGK-IHPCNDPISA-N 1 3 345.531 2.847 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179592793 1289192701 /nfs/dbraw/zinc/19/27/01/1289192701.db2.gz OHOGJODCZPFQCR-MRXNPFEDSA-N 1 3 329.504 2.733 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001179609161 1289197973 /nfs/dbraw/zinc/19/79/73/1289197973.db2.gz LAPRMILPZAYMLT-FZDNWWAKSA-N 1 3 338.323 2.912 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001179609743 1289198228 /nfs/dbraw/zinc/19/82/28/1289198228.db2.gz ZOZBCMRGEJWMIF-INIZCTEOSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]Cc1ccccc1 ZINC001179580890 1289201137 /nfs/dbraw/zinc/20/11/37/1289201137.db2.gz UQQKQZYHPYAORG-SFHVURJKSA-N 1 3 331.504 2.937 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@@H]1C ZINC001179580976 1289201327 /nfs/dbraw/zinc/20/13/27/1289201327.db2.gz YEITYYPQICUMPF-SFHVURJKSA-N 1 3 346.519 2.641 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2)[C@@H]1C ZINC001179744365 1289255387 /nfs/dbraw/zinc/25/53/87/1289255387.db2.gz MWGWRTXTKWPPSY-BXWFABGCSA-N 1 3 347.503 2.677 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)[C@@H]1C ZINC001179744034 1289255679 /nfs/dbraw/zinc/25/56/79/1289255679.db2.gz CZIXLLIFRBJWNH-VDGAXYAQSA-N 1 3 343.515 2.985 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746197 1289256877 /nfs/dbraw/zinc/25/68/77/1289256877.db2.gz QMLDGTQDZIWVPJ-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO CO[C@H](C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746195 1289256948 /nfs/dbraw/zinc/25/69/48/1289256948.db2.gz QMLDGTQDZIWVPJ-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO COC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746146 1289256966 /nfs/dbraw/zinc/25/69/66/1289256966.db2.gz PGFWIMJREUPZOU-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H]1C ZINC001179763956 1289262301 /nfs/dbraw/zinc/26/23/01/1289262301.db2.gz RFJZUCOARWPVJP-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C ZINC001179763329 1289262313 /nfs/dbraw/zinc/26/23/13/1289262313.db2.gz HMNYVRZNKMEYIG-OIPCOOBTSA-N 1 3 329.488 2.621 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001179763678 1289262420 /nfs/dbraw/zinc/26/24/20/1289262420.db2.gz OMZDXUVPEOGAHW-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccccc32)[C@@H]1C ZINC001179762980 1289262537 /nfs/dbraw/zinc/26/25/37/1289262537.db2.gz DGNIBQRKRJSEEN-SNRMKQJTSA-N 1 3 329.488 2.595 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1C ZINC001179763387 1289262575 /nfs/dbraw/zinc/26/25/75/1289262575.db2.gz KLLXNUITMAHSKA-LPHOPBHVSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)[C@@H]1C ZINC001179762981 1289262753 /nfs/dbraw/zinc/26/27/53/1289262753.db2.gz DGNIBQRKRJSEEN-ZYSHUDEJSA-N 1 3 329.488 2.595 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+]CCOCC ZINC001179838785 1289282116 /nfs/dbraw/zinc/28/21/16/1289282116.db2.gz PNMSEVSVYZQFDM-UHFFFAOYSA-N 1 3 343.556 2.801 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1ccc(OC)cc1 ZINC001179846597 1289284430 /nfs/dbraw/zinc/28/44/30/1289284430.db2.gz NZVGKYVKJUKESU-UHFFFAOYSA-N 1 3 349.519 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C ZINC001179983155 1289350112 /nfs/dbraw/zinc/35/01/12/1289350112.db2.gz MVVFTTPMXCERGV-HKUYNNGSSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179983100 1289350778 /nfs/dbraw/zinc/35/07/78/1289350778.db2.gz LBRCCHDFLFTAHN-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]1C ZINC001179987448 1289353201 /nfs/dbraw/zinc/35/32/01/1289353201.db2.gz XDOKBAYAVJRHOI-ICSRJNTNSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)[C@@H]1C ZINC001179986932 1289354233 /nfs/dbraw/zinc/35/42/33/1289354233.db2.gz HSNMEANFQFOMSE-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cc(C)ns1 ZINC001180124636 1289427074 /nfs/dbraw/zinc/42/70/74/1289427074.db2.gz ZNNWLTYVHUNRJA-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180200913 1289441531 /nfs/dbraw/zinc/44/15/31/1289441531.db2.gz HXMFCTUURUVZSW-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001180222496 1289449083 /nfs/dbraw/zinc/44/90/83/1289449083.db2.gz PBQFJWSMJBJMRM-XCUKTARSSA-N 1 3 329.488 2.619 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180222780 1289450052 /nfs/dbraw/zinc/45/00/52/1289450052.db2.gz SYGVANHTKMKACO-HKUYNNGSSA-N 1 3 331.504 2.723 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001180226781 1289451017 /nfs/dbraw/zinc/45/10/17/1289451017.db2.gz LVUJUOHYMACJTA-MPGHIAIKSA-N 1 3 335.467 2.806 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)C1 ZINC001180260408 1289469007 /nfs/dbraw/zinc/46/90/07/1289469007.db2.gz YNJOCDPHUWSVJA-JFBXQDQPSA-N 1 3 336.307 2.523 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCCCCNC/C(Cl)=C/Cl)C1 ZINC001180260408 1289469013 /nfs/dbraw/zinc/46/90/13/1289469013.db2.gz YNJOCDPHUWSVJA-JFBXQDQPSA-N 1 3 336.307 2.523 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001180389155 1289506353 /nfs/dbraw/zinc/50/63/53/1289506353.db2.gz GGHKVISSYJGNKP-UXHICEINSA-N 1 3 343.515 2.699 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001180389155 1289506363 /nfs/dbraw/zinc/50/63/63/1289506363.db2.gz GGHKVISSYJGNKP-UXHICEINSA-N 1 3 343.515 2.699 20 0 EFADHO Cc1ccc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)c(C)n1 ZINC001180369739 1289516590 /nfs/dbraw/zinc/51/65/90/1289516590.db2.gz VAQJFDWJRSCDJF-UHFFFAOYSA-N 1 3 348.535 2.805 20 0 EFADHO CC(C)Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903459695 1312714511 /nfs/dbraw/zinc/71/45/11/1312714511.db2.gz WXQWSVGZIWOCRH-LJQANCHMSA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)Cc1ccccc1C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000903459695 1312714514 /nfs/dbraw/zinc/71/45/14/1312714514.db2.gz WXQWSVGZIWOCRH-LJQANCHMSA-N 1 3 327.476 2.772 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)N(C)C ZINC001166004774 1312717249 /nfs/dbraw/zinc/71/72/49/1312717249.db2.gz XLQHUWZAVOKGNC-MRXNPFEDSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001166009910 1312717440 /nfs/dbraw/zinc/71/74/40/1312717440.db2.gz CAYOEMNJWVNDEL-MRXNPFEDSA-N 1 3 325.522 2.547 20 0 EFADHO Cc1ccc(Br)c(F)c1CNCCOCC[NH+](C)C ZINC000873106178 1289570020 /nfs/dbraw/zinc/57/00/20/1289570020.db2.gz IMJLUOJKNXAYGZ-UHFFFAOYSA-N 1 3 333.245 2.564 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001166011159 1312717729 /nfs/dbraw/zinc/71/77/29/1312717729.db2.gz YOHOBJXYXWQTIB-LJQANCHMSA-N 1 3 349.519 2.658 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001180630159 1289587098 /nfs/dbraw/zinc/58/70/98/1289587098.db2.gz LLDJFJDZIURCCA-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001180630159 1289587106 /nfs/dbraw/zinc/58/71/06/1289587106.db2.gz LLDJFJDZIURCCA-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(C1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)N1CCCCC1 ZINC000873200904 1289638659 /nfs/dbraw/zinc/63/86/59/1289638659.db2.gz MWWGPABCBAXGDR-UHFFFAOYSA-N 1 3 347.528 2.618 20 0 EFADHO O=C(CC1CCN(Cc2cc3c(s2)CC[NH2+]C3)CC1)N1CCCC1 ZINC000873203435 1289640816 /nfs/dbraw/zinc/64/08/16/1289640816.db2.gz DAQWYCOWQXAJDG-UHFFFAOYSA-N 1 3 347.528 2.618 20 0 EFADHO Cc1cc(C[NH2+]Cc2cccc(-n3cc(CN)nn3)c2)c(C)s1 ZINC000873218835 1289651445 /nfs/dbraw/zinc/65/14/45/1289651445.db2.gz SPYQPRDSGUVZTR-UHFFFAOYSA-N 1 3 327.457 2.694 20 0 EFADHO Cc1c([C@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccccc1 ZINC000873260139 1289687544 /nfs/dbraw/zinc/68/75/44/1289687544.db2.gz TZKLQUQDVORQTG-LLLHUVSDSA-N 1 3 325.460 2.757 20 0 EFADHO COc1ccc([C@@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000873290549 1289705928 /nfs/dbraw/zinc/70/59/28/1289705928.db2.gz RISCUSOZBPSYJG-ZBFHGGJFSA-N 1 3 334.460 2.513 20 0 EFADHO C[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000873292472 1289707054 /nfs/dbraw/zinc/70/70/54/1289707054.db2.gz ROWLRFGKTVGUCX-APWZRJJASA-N 1 3 340.471 2.682 20 0 EFADHO O=C(CC12CCC[NH+]1CCC2)N1CCN(CC2CCCCC2)CC1 ZINC001181105930 1289707909 /nfs/dbraw/zinc/70/79/09/1289707909.db2.gz NEVAPXGFUVIZPB-UHFFFAOYSA-N 1 3 333.520 2.729 20 0 EFADHO Fc1cc2c(c(F)c1F)[C@H](NC[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000873294410 1289709130 /nfs/dbraw/zinc/70/91/30/1289709130.db2.gz VSWAMZASEBHCMM-TZMCWYRMSA-N 1 3 340.389 2.840 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001181468404 1289800933 /nfs/dbraw/zinc/80/09/33/1289800933.db2.gz XALBTEIJRYIHTD-OXQOHEQNSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441513 1289807431 /nfs/dbraw/zinc/80/74/31/1289807431.db2.gz PVNSMFDKTYVBIY-WSTZPKSXSA-N 1 3 337.552 2.980 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001181670768 1289896262 /nfs/dbraw/zinc/89/62/62/1289896262.db2.gz FNANEDUUYFSYLP-WSTZPKSXSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]Cc1ccsc1 ZINC001181745061 1289926606 /nfs/dbraw/zinc/92/66/06/1289926606.db2.gz BAJDTXBEJSFRAN-CRAIPNDOSA-N 1 3 349.544 2.807 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181746308 1289926627 /nfs/dbraw/zinc/92/66/27/1289926627.db2.gz PQVFYIHBJLCQSM-VQIMIIECSA-N 1 3 337.552 2.981 20 0 EFADHO CC1CC(C[NH2+]C[C@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1 ZINC001181745217 1289926648 /nfs/dbraw/zinc/92/66/48/1289926648.db2.gz GOOHFIBQFVQFJG-MPLMCADHSA-N 1 3 335.536 2.591 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001181998090 1290030157 /nfs/dbraw/zinc/03/01/57/1290030157.db2.gz WGEQVZMVVKZWQA-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001181998090 1290030164 /nfs/dbraw/zinc/03/01/64/1290030164.db2.gz WGEQVZMVVKZWQA-SFHVURJKSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1cc(CN2CCC3(C2)CCN(c2cc[nH+]cc2)CC3)n(C)n1 ZINC001277696718 1312755579 /nfs/dbraw/zinc/75/55/79/1312755579.db2.gz KOPHFNUPDNMSFL-UHFFFAOYSA-N 1 3 325.460 2.616 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC001182318618 1290159578 /nfs/dbraw/zinc/15/95/78/1290159578.db2.gz SGXNYFOVSXTWTQ-IBGZPJMESA-N 1 3 341.499 2.514 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCN3CCC2CC3)C1 ZINC001182318618 1290159583 /nfs/dbraw/zinc/15/95/83/1290159583.db2.gz SGXNYFOVSXTWTQ-IBGZPJMESA-N 1 3 341.499 2.514 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1)CC(C)(C)C ZINC001202538845 1290173863 /nfs/dbraw/zinc/17/38/63/1290173863.db2.gz DLBKDVXAHAHMFM-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623160 1290226310 /nfs/dbraw/zinc/22/63/10/1290226310.db2.gz DYTNSYOHUWRHRE-SQGPQFPESA-N 1 3 337.552 2.839 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CC2CC(C)(C)C2)CC1)CC(C)(C)C ZINC001202539702 1290227200 /nfs/dbraw/zinc/22/72/00/1290227200.db2.gz QVWBRNULHAVIOP-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[NH2+]C[C@]1(C)CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001182630527 1290228764 /nfs/dbraw/zinc/22/87/64/1290228764.db2.gz ZLDWYJYIKZWSRI-ATZDWAIDSA-N 1 3 341.515 2.682 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CCCC2)C1)N(C)C ZINC001182637739 1290230623 /nfs/dbraw/zinc/23/06/23/1290230623.db2.gz NIXXRHLFYXFLLL-IMFGXOCKSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001182637747 1290230688 /nfs/dbraw/zinc/23/06/88/1290230688.db2.gz NSJIFZSMMFKVSJ-IMFGXOCKSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001182637984 1290230789 /nfs/dbraw/zinc/23/07/89/1290230789.db2.gz UOJMLKNYNRBBST-UWWQBHOKSA-N 1 3 337.533 2.663 20 0 EFADHO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001182750016 1290243667 /nfs/dbraw/zinc/24/36/67/1290243667.db2.gz GIRUCTYUMPMYED-GQIGUUNPSA-N 1 3 340.471 2.788 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC001413059900 1312769515 /nfs/dbraw/zinc/76/95/15/1312769515.db2.gz OJMNTDHEZWNNMQ-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2ncsc2c1 ZINC001232739317 1312770303 /nfs/dbraw/zinc/77/03/03/1312770303.db2.gz BKEHBUILMYHMBT-DLBZAZTESA-N 1 3 330.501 2.507 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc2ncsc2c1 ZINC001232739317 1312770306 /nfs/dbraw/zinc/77/03/06/1312770306.db2.gz BKEHBUILMYHMBT-DLBZAZTESA-N 1 3 330.501 2.507 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3ccc4ncsc4c3)CC2)CC1 ZINC001232742198 1312770392 /nfs/dbraw/zinc/77/03/92/1312770392.db2.gz WXWGNNVAINQYIQ-UHFFFAOYSA-N 1 3 330.501 2.508 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001183509518 1290357634 /nfs/dbraw/zinc/35/76/34/1290357634.db2.gz JXDAGQSJCZDCCQ-VQIMIIECSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001183510349 1290358551 /nfs/dbraw/zinc/35/85/51/1290358551.db2.gz WZMGUKORYCJIMR-IIBYNOLFSA-N 1 3 343.515 2.846 20 0 EFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(F)cc1F ZINC001232785045 1312778367 /nfs/dbraw/zinc/77/83/67/1312778367.db2.gz SYDMNSCGHNSBNB-UHFFFAOYSA-N 1 3 337.458 2.733 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001183738162 1290390068 /nfs/dbraw/zinc/39/00/68/1290390068.db2.gz IUKOPUHLNVJBJZ-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N[C@H](C)c2ccccc2F)C1 ZINC001183738162 1290390079 /nfs/dbraw/zinc/39/00/79/1290390079.db2.gz IUKOPUHLNVJBJZ-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000874844281 1290391315 /nfs/dbraw/zinc/39/13/15/1290391315.db2.gz REMZWXLSWLZKHJ-UXHICEINSA-N 1 3 341.499 2.594 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1Cl ZINC000903505846 1312784370 /nfs/dbraw/zinc/78/43/70/1312784370.db2.gz JJAMZEXNXJFRHH-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1Cl ZINC000903505846 1312784374 /nfs/dbraw/zinc/78/43/74/1312784374.db2.gz JJAMZEXNXJFRHH-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1Cl ZINC000903505846 1312784378 /nfs/dbraw/zinc/78/43/78/1312784378.db2.gz JJAMZEXNXJFRHH-IYBDPMFKSA-N 1 3 337.870 2.880 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCCCCF ZINC001184575791 1290475283 /nfs/dbraw/zinc/47/52/83/1290475283.db2.gz DYRDZJBXQZFVBU-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CC[C@@H](NCc3ccsc3)C2)CCCC1 ZINC001184628019 1290483692 /nfs/dbraw/zinc/48/36/92/1290483692.db2.gz CURUGMSLHPAENY-MRXNPFEDSA-N 1 3 335.517 2.703 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001184714772 1290498124 /nfs/dbraw/zinc/49/81/24/1290498124.db2.gz ZSLNHPADKUVENA-IRXDYDNUSA-N 1 3 343.531 2.931 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001184714771 1290498217 /nfs/dbraw/zinc/49/82/17/1290498217.db2.gz ZSLNHPADKUVENA-IAGOWNOFSA-N 1 3 343.531 2.931 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508304 1312787686 /nfs/dbraw/zinc/78/76/86/1312787686.db2.gz BMPHGGCTMDNFPG-RRQGHBQHSA-N 1 3 335.442 2.926 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508304 1312787690 /nfs/dbraw/zinc/78/76/90/1312787690.db2.gz BMPHGGCTMDNFPG-RRQGHBQHSA-N 1 3 335.442 2.926 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508304 1312787693 /nfs/dbraw/zinc/78/76/93/1312787693.db2.gz BMPHGGCTMDNFPG-RRQGHBQHSA-N 1 3 335.442 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001037156191 1290606664 /nfs/dbraw/zinc/60/66/64/1290606664.db2.gz DFGZQPOLHAOVPH-IAGOWNOFSA-N 1 3 330.476 2.636 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185213622 1290622396 /nfs/dbraw/zinc/62/23/96/1290622396.db2.gz DWEKKUXYXZUTSO-WMZOPIPTSA-N 1 3 344.503 2.917 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)[C@H](C)C1 ZINC001185361135 1290651820 /nfs/dbraw/zinc/65/18/20/1290651820.db2.gz UYQRQADWJDOYKH-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001185338164 1290655680 /nfs/dbraw/zinc/65/56/80/1290655680.db2.gz PQIQFMWPGODVSW-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001232862275 1312798719 /nfs/dbraw/zinc/79/87/19/1312798719.db2.gz LLWBYIVCFTWCFC-MRXNPFEDSA-N 1 3 349.276 2.853 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001232862275 1312798722 /nfs/dbraw/zinc/79/87/22/1312798722.db2.gz LLWBYIVCFTWCFC-MRXNPFEDSA-N 1 3 349.276 2.853 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185550188 1290705322 /nfs/dbraw/zinc/70/53/22/1290705322.db2.gz UBFXMRIZBGEVIF-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccsc2)[C@@H](C)C1 ZINC001185550158 1290705721 /nfs/dbraw/zinc/70/57/21/1290705721.db2.gz STDFMWPYJOEEJM-DOTOQJQBSA-N 1 3 337.533 2.664 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CN(C)CCC)C[C@H]1C ZINC001185549721 1290705906 /nfs/dbraw/zinc/70/59/06/1290705906.db2.gz RTEORCBGDGLRKP-MSOLQXFVSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001185536667 1290715753 /nfs/dbraw/zinc/71/57/53/1290715753.db2.gz ODCSEMZHXHXJJU-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001185547530 1290718812 /nfs/dbraw/zinc/71/88/12/1290718812.db2.gz IISLRMMVLRQIMR-HKUYNNGSSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001185547511 1290718832 /nfs/dbraw/zinc/71/88/32/1290718832.db2.gz IGOQZMXPJBONSI-ICSRJNTNSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2)[C@H](C)C1 ZINC001185547532 1290719095 /nfs/dbraw/zinc/71/90/95/1290719095.db2.gz IISLRMMVLRQIMR-MJGOQNOKSA-N 1 3 331.504 2.603 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001185698429 1290741277 /nfs/dbraw/zinc/74/12/77/1290741277.db2.gz MBKGWGOJTDKQTM-WMHRWZGDSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001166627377 1312806255 /nfs/dbraw/zinc/80/62/55/1312806255.db2.gz UMRJWPRRUODWPG-INIZCTEOSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCCCc1ccccc1 ZINC001166627588 1312806482 /nfs/dbraw/zinc/80/64/82/1312806482.db2.gz WOODUTVBGKYIPR-GOSISDBHSA-N 1 3 331.504 2.590 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1 ZINC001185750236 1290762234 /nfs/dbraw/zinc/76/22/34/1290762234.db2.gz IFCPJIIBCQMMEP-WBVHZDCISA-N 1 3 337.533 2.663 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166633839 1312808637 /nfs/dbraw/zinc/80/86/37/1312808637.db2.gz KKLVCDCUODXTBZ-INIZCTEOSA-N 1 3 346.519 2.594 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001166645007 1312809859 /nfs/dbraw/zinc/80/98/59/1312809859.db2.gz LMGJBRSKYRVIIX-LSDHHAIUSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001166627670 1312806744 /nfs/dbraw/zinc/80/67/44/1312806744.db2.gz ZBNQAEAWTQLRSW-KSSFIOAISA-N 1 3 349.906 2.908 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001166627668 1312806874 /nfs/dbraw/zinc/80/68/74/1312806874.db2.gz ZBNQAEAWTQLRSW-KBXCAEBGSA-N 1 3 349.906 2.908 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001166627416 1312807013 /nfs/dbraw/zinc/80/70/13/1312807013.db2.gz VGQOLRFXXKSYEP-DNVCBOLYSA-N 1 3 347.478 2.783 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001166677226 1312816926 /nfs/dbraw/zinc/81/69/26/1312816926.db2.gz HNCMXPRCVSVKER-YJBOKZPZSA-N 1 3 335.467 2.715 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC001273515966 1290890122 /nfs/dbraw/zinc/89/01/22/1290890122.db2.gz QLQJJBPPORZTGI-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC001273515966 1290890134 /nfs/dbraw/zinc/89/01/34/1290890134.db2.gz QLQJJBPPORZTGI-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001166677134 1312817174 /nfs/dbraw/zinc/81/71/74/1312817174.db2.gz FXMPJDHPEWMUHU-AWEZNQCLSA-N 1 3 339.430 2.562 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166677076 1312817559 /nfs/dbraw/zinc/81/75/59/1312817559.db2.gz FGDZURDZFULSJD-KRWDZBQOSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001166676918 1312817666 /nfs/dbraw/zinc/81/76/66/1312817666.db2.gz DWPHVKWPSZCUPX-PKOBYXMFSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001166678866 1312818260 /nfs/dbraw/zinc/81/82/60/1312818260.db2.gz XAXHOGYXBLUHDZ-QGZVFWFLSA-N 1 3 343.515 2.892 20 0 EFADHO Cc1ccccc1C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687259 1312820233 /nfs/dbraw/zinc/82/02/33/1312820233.db2.gz LEZBKSHAQSVPAH-FQEVSTJZSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)CCC[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687062 1312820248 /nfs/dbraw/zinc/82/02/48/1312820248.db2.gz IFNWDZGREIINBC-SFHVURJKSA-N 1 3 329.504 2.731 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CCC2CCCC2)C1 ZINC001166687562 1312820336 /nfs/dbraw/zinc/82/03/36/1312820336.db2.gz WJHPINVBUCJECW-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001186451036 1290955701 /nfs/dbraw/zinc/95/57/01/1290955701.db2.gz BFRRPDOPSHKOGX-UKRRQHHQSA-N 1 3 339.430 2.558 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001186488159 1290963342 /nfs/dbraw/zinc/96/33/42/1290963342.db2.gz NDGVEMQDRLQDMM-DUMMIQTOSA-N 1 3 349.906 2.886 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782786 1291022301 /nfs/dbraw/zinc/02/23/01/1291022301.db2.gz UVUIZWNCVJSFBQ-SFHVURJKSA-N 1 3 332.492 2.531 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782786 1291022311 /nfs/dbraw/zinc/02/23/11/1291022311.db2.gz UVUIZWNCVJSFBQ-SFHVURJKSA-N 1 3 332.492 2.531 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2ccccc21)CC(C)(C)C ZINC001166744000 1312832496 /nfs/dbraw/zinc/83/24/96/1312832496.db2.gz CJONKWIHUDVNDN-SFHVURJKSA-N 1 3 331.504 2.748 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001273532546 1291079727 /nfs/dbraw/zinc/07/97/27/1291079727.db2.gz LFJMXFRBTNGNAJ-HXUWFJFHSA-N 1 3 329.488 2.584 20 0 EFADHO CN(C)CCN1c2ccccc2[C@]2(CC[N@@H+](CC(C)(C)C)C2)C1=O ZINC001273532546 1291079734 /nfs/dbraw/zinc/07/97/34/1291079734.db2.gz LFJMXFRBTNGNAJ-HXUWFJFHSA-N 1 3 329.488 2.584 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000877059242 1291120415 /nfs/dbraw/zinc/12/04/15/1291120415.db2.gz LCZGKHJJGWIRGL-ZACQAIPSSA-N 1 3 335.492 2.500 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000877059240 1291121080 /nfs/dbraw/zinc/12/10/80/1291121080.db2.gz LCZGKHJJGWIRGL-ULQDDVLXSA-N 1 3 335.492 2.500 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CCCOc1ccccc1)CC(C)(C)C ZINC001166750371 1312834497 /nfs/dbraw/zinc/83/44/97/1312834497.db2.gz FADNMXZBDVAAHR-UHFFFAOYSA-N 1 3 349.519 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001187291367 1291139550 /nfs/dbraw/zinc/13/95/50/1291139550.db2.gz PHAZPZZJWVHNET-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CCCc1ccccc1)CC(C)(C)C ZINC001166750363 1312834709 /nfs/dbraw/zinc/83/47/09/1312834709.db2.gz DXNARPLTTCCBBR-UHFFFAOYSA-N 1 3 333.520 2.693 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001187323055 1291143766 /nfs/dbraw/zinc/14/37/66/1291143766.db2.gz VZLKGYQAYLGOQL-SJLPKXTDSA-N 1 3 349.906 2.860 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001187323054 1291144235 /nfs/dbraw/zinc/14/42/35/1291144235.db2.gz VZLKGYQAYLGOQL-AEFFLSMTSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1ccccc1F ZINC001166751530 1312834940 /nfs/dbraw/zinc/83/49/40/1312834940.db2.gz UWQPMSLWJOQXQL-OAHLLOKOSA-N 1 3 337.483 2.961 20 0 EFADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000877191392 1291160837 /nfs/dbraw/zinc/16/08/37/1291160837.db2.gz SJSKYKZGCNNIQA-KRWDZBQOSA-N 1 3 345.874 2.779 20 0 EFADHO Nc1c(Cl)cccc1CNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000877191392 1291160843 /nfs/dbraw/zinc/16/08/43/1291160843.db2.gz SJSKYKZGCNNIQA-KRWDZBQOSA-N 1 3 345.874 2.779 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001166765136 1312838617 /nfs/dbraw/zinc/83/86/17/1312838617.db2.gz SVTPGEBAPLHGGX-WDZFZDKYSA-N 1 3 343.515 2.918 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856835 1291249322 /nfs/dbraw/zinc/24/93/22/1291249322.db2.gz DJZUDDZHFIRCES-ZMHWVXQFSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001187856835 1291249324 /nfs/dbraw/zinc/24/93/24/1291249324.db2.gz DJZUDDZHFIRCES-ZMHWVXQFSA-N 1 3 333.520 2.748 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001188126152 1291313657 /nfs/dbraw/zinc/31/36/57/1291313657.db2.gz RFWVWFVJBWICHV-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC001188139383 1291316971 /nfs/dbraw/zinc/31/69/71/1291316971.db2.gz NFQOJSRUGHIIOE-WMLDXEAASA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC001188139380 1291317436 /nfs/dbraw/zinc/31/74/36/1291317436.db2.gz NFQOJSRUGHIIOE-RHSMWYFYSA-N 1 3 337.895 2.932 20 0 EFADHO CCOc1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000877746694 1291356097 /nfs/dbraw/zinc/35/60/97/1291356097.db2.gz GQZLLJOEVVTKKD-UHFFFAOYSA-N 1 3 331.504 2.606 20 0 EFADHO Cc1ccc2cc(CN3CCC([NH+]4CCN(C)CC4)CC3)ccc2n1 ZINC000877746088 1291356640 /nfs/dbraw/zinc/35/66/40/1291356640.db2.gz HCOARJJWDGZKBY-UHFFFAOYSA-N 1 3 338.499 2.755 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(CC3CCCCC3)CC2)C1 ZINC000957324646 1291385437 /nfs/dbraw/zinc/38/54/37/1291385437.db2.gz BIKOUIIEHRROIW-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000126783748 1291411126 /nfs/dbraw/zinc/41/11/26/1291411126.db2.gz AHFORCFYWVLIEL-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126783748 1291411129 /nfs/dbraw/zinc/41/11/29/1291411129.db2.gz AHFORCFYWVLIEL-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1Cl)N(C)C ZINC001166858387 1312855373 /nfs/dbraw/zinc/85/53/73/1312855373.db2.gz SLTSZRXJOJUPLJ-AWEZNQCLSA-N 1 3 346.302 2.930 20 0 EFADHO Cn1cncc1N1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277765811 1312861584 /nfs/dbraw/zinc/86/15/84/1312861584.db2.gz RXWHBFDDSAQHSQ-OKILXGFUSA-N 1 3 330.398 2.911 20 0 EFADHO Cn1cncc1N1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277765811 1312861588 /nfs/dbraw/zinc/86/15/88/1312861588.db2.gz RXWHBFDDSAQHSQ-OKILXGFUSA-N 1 3 330.398 2.911 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCCCC(F)(F)F)C[C@H]21 ZINC001188978909 1291553194 /nfs/dbraw/zinc/55/31/94/1291553194.db2.gz FQYFRSDLYIKFBY-LSDHHAIUSA-N 1 3 349.441 2.594 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001189390005 1291694068 /nfs/dbraw/zinc/69/40/68/1291694068.db2.gz NCGWKTRJJYOURZ-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001189390005 1291694079 /nfs/dbraw/zinc/69/40/79/1291694079.db2.gz NCGWKTRJJYOURZ-PMACEKPBSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878605963 1291731992 /nfs/dbraw/zinc/73/19/92/1291731992.db2.gz LHKRPNAUEVLJSM-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1c[nH]c(=O)c(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001233191139 1312876729 /nfs/dbraw/zinc/87/67/29/1312876729.db2.gz MWJVIPNLAAEOCM-HOTGVXAUSA-N 1 3 329.469 2.721 20 0 EFADHO CN(CC(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2)C1CCC1 ZINC000957561630 1291768464 /nfs/dbraw/zinc/76/84/64/1291768464.db2.gz XYZQRWRDBLRGKW-UHFFFAOYSA-N 1 3 339.499 2.535 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)N(C)C ZINC000957568270 1291780623 /nfs/dbraw/zinc/78/06/23/1291780623.db2.gz GKRCTURTHOTUJQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016615503 1312883047 /nfs/dbraw/zinc/88/30/47/1312883047.db2.gz WFBBKAHLJGYPSO-VFXWJFPTSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016615503 1312883051 /nfs/dbraw/zinc/88/30/51/1312883051.db2.gz WFBBKAHLJGYPSO-VFXWJFPTSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCCF)CC2)N(C)C ZINC000957598777 1291844993 /nfs/dbraw/zinc/84/49/93/1291844993.db2.gz LMELKOXMYLUNNB-QGZVFWFLSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC000957599055 1291845729 /nfs/dbraw/zinc/84/57/29/1291845729.db2.gz XMWIRGZQWIARAX-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cccc(C)c1[C@@H]1CCCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878886073 1291847975 /nfs/dbraw/zinc/84/79/75/1291847975.db2.gz ZLLDMUMXODPNLJ-SFHVURJKSA-N 1 3 329.488 2.651 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)CC2)CC1 ZINC000957605985 1291859227 /nfs/dbraw/zinc/85/92/27/1291859227.db2.gz SUVBZTFFNIOYDX-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001167043371 1312888005 /nfs/dbraw/zinc/88/80/05/1312888005.db2.gz BIOUTAQVCCPBBC-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465085 1312889851 /nfs/dbraw/zinc/88/98/51/1312889851.db2.gz PUTORHGBSCWQFJ-QRVBRYPASA-N 1 3 333.520 2.891 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465085 1312889855 /nfs/dbraw/zinc/88/98/55/1312889855.db2.gz PUTORHGBSCWQFJ-QRVBRYPASA-N 1 3 333.520 2.891 20 0 EFADHO COCCSc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)cc1 ZINC000775352758 1292003783 /nfs/dbraw/zinc/00/37/83/1292003783.db2.gz NGMURCBWJVYNNB-RDJZCZTQSA-N 1 3 338.517 2.532 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114794964 1292027066 /nfs/dbraw/zinc/02/70/66/1292027066.db2.gz TUZPNLDPQJGUEC-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)N(C)C ZINC001114794964 1292027075 /nfs/dbraw/zinc/02/70/75/1292027075.db2.gz TUZPNLDPQJGUEC-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)N(C(=O)CN1CCC2(CC1)CC[NH+](C)CC2)C1CCCC1 ZINC000879249067 1292042966 /nfs/dbraw/zinc/04/29/66/1292042966.db2.gz DFJZQVWHZMTAJQ-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016652262 1312904505 /nfs/dbraw/zinc/90/45/05/1312904505.db2.gz PXHNKOAYUZWHPC-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO COc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380820 1292160139 /nfs/dbraw/zinc/16/01/39/1292160139.db2.gz LOMYFEGFURYYPY-MAUKXSAKSA-N 1 3 345.487 2.562 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442907 1292161348 /nfs/dbraw/zinc/16/13/48/1292161348.db2.gz CEQLBJZDJMJEBE-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442907 1292161353 /nfs/dbraw/zinc/16/13/53/1292161353.db2.gz CEQLBJZDJMJEBE-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C[C@H](C)O1 ZINC000775380442 1292162156 /nfs/dbraw/zinc/16/21/56/1292162156.db2.gz IQDXGRVSBZQJIF-BPKGMFCQSA-N 1 3 344.590 2.845 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001190436220 1292173456 /nfs/dbraw/zinc/17/34/56/1292173456.db2.gz SJJZYYAERDPSAG-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001190436220 1292173459 /nfs/dbraw/zinc/17/34/59/1292173459.db2.gz SJJZYYAERDPSAG-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001190436219 1292174270 /nfs/dbraw/zinc/17/42/70/1292174270.db2.gz SJJZYYAERDPSAG-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001190436219 1292174275 /nfs/dbraw/zinc/17/42/75/1292174275.db2.gz SJJZYYAERDPSAG-OALUTQOASA-N 1 3 349.494 2.708 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478543 1312907514 /nfs/dbraw/zinc/90/75/14/1312907514.db2.gz PLFNZUMMFZMAFD-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCCC1 ZINC001049478543 1312907518 /nfs/dbraw/zinc/90/75/18/1312907518.db2.gz PLFNZUMMFZMAFD-ROUUACIJSA-N 1 3 335.536 2.972 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000957753169 1292191954 /nfs/dbraw/zinc/19/19/54/1292191954.db2.gz BCFREZBMKMMWTJ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000957753169 1292191959 /nfs/dbraw/zinc/19/19/59/1292191959.db2.gz BCFREZBMKMMWTJ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753343 1292193470 /nfs/dbraw/zinc/19/34/70/1292193470.db2.gz KINGQRRUMTXMEL-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000957753343 1292193472 /nfs/dbraw/zinc/19/34/72/1292193472.db2.gz KINGQRRUMTXMEL-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CCCN(C)C2=O)ccc1OC ZINC000775394183 1292196449 /nfs/dbraw/zinc/19/64/49/1292196449.db2.gz IJXNYZBJGFDNHI-YJBOKZPZSA-N 1 3 347.503 2.808 20 0 EFADHO CCC(CC)CN1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000957767791 1292213809 /nfs/dbraw/zinc/21/38/09/1292213809.db2.gz KZMIGYOAAKDLRY-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CCC(CC)CN1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000957771823 1292222470 /nfs/dbraw/zinc/22/24/70/1292222470.db2.gz ONAMHLUPORDAIU-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776632 1292229855 /nfs/dbraw/zinc/22/98/55/1292229855.db2.gz QUEWRKJPZBNMSL-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC000957776632 1292229865 /nfs/dbraw/zinc/22/98/65/1292229865.db2.gz QUEWRKJPZBNMSL-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCCc3ccsc3)C2)CCC1 ZINC001190644845 1292261135 /nfs/dbraw/zinc/26/11/35/1292261135.db2.gz NHAHRNKHNKIQTE-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCCc3ccsc3)C2)CCC1 ZINC001190644845 1292261144 /nfs/dbraw/zinc/26/11/44/1292261144.db2.gz NHAHRNKHNKIQTE-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653851 1292267509 /nfs/dbraw/zinc/26/75/09/1292267509.db2.gz GWXDXWMBBAVRER-ROUUACIJSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1)C1CC1 ZINC001190653851 1292267518 /nfs/dbraw/zinc/26/75/18/1292267518.db2.gz GWXDXWMBBAVRER-ROUUACIJSA-N 1 3 349.544 2.554 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1)C1CCC1 ZINC001190674764 1292280722 /nfs/dbraw/zinc/28/07/22/1292280722.db2.gz DKWBEXGGNJEEKT-OSICKASQSA-N 1 3 341.499 2.717 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1)C1CCC1 ZINC001190674764 1292280729 /nfs/dbraw/zinc/28/07/29/1292280729.db2.gz DKWBEXGGNJEEKT-OSICKASQSA-N 1 3 341.499 2.717 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001190900167 1292347056 /nfs/dbraw/zinc/34/70/56/1292347056.db2.gz OHDOGGDBDURLIH-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001190900167 1292347064 /nfs/dbraw/zinc/34/70/64/1292347064.db2.gz OHDOGGDBDURLIH-VQTJNVASSA-N 1 3 345.531 2.801 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]C/C=C/Cl)C12CCC2)CC(C)(C)C ZINC001203425262 1312920918 /nfs/dbraw/zinc/92/09/18/1312920918.db2.gz BCZGZEVJVYOFPJ-OVPGCVMQSA-N 1 3 341.927 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC001203437233 1312924306 /nfs/dbraw/zinc/92/43/06/1312924306.db2.gz HKTSITJAYLLIIF-UHFFFAOYSA-N 1 3 343.924 2.824 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001191030150 1292432788 /nfs/dbraw/zinc/43/27/88/1292432788.db2.gz QLSSKYYHETYTKR-HKUYNNGSSA-N 1 3 343.515 2.937 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001191030150 1292432792 /nfs/dbraw/zinc/43/27/92/1292432792.db2.gz QLSSKYYHETYTKR-HKUYNNGSSA-N 1 3 343.515 2.937 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191028519 1292432863 /nfs/dbraw/zinc/43/28/63/1292432863.db2.gz BXUSXGVMRPLUHF-KRWDZBQOSA-N 1 3 335.467 2.589 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccc(F)c2)C1 ZINC001191028519 1292432869 /nfs/dbraw/zinc/43/28/69/1292432869.db2.gz BXUSXGVMRPLUHF-KRWDZBQOSA-N 1 3 335.467 2.589 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001191029123 1292432928 /nfs/dbraw/zinc/43/29/28/1292432928.db2.gz FZJOVRPMIXXYEZ-MRXNPFEDSA-N 1 3 337.533 2.820 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001191029123 1292432933 /nfs/dbraw/zinc/43/29/33/1292432933.db2.gz FZJOVRPMIXXYEZ-MRXNPFEDSA-N 1 3 337.533 2.820 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001191028526 1292433122 /nfs/dbraw/zinc/43/31/22/1292433122.db2.gz BZRDQIYTXDNKHY-GJZGRUSLSA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001191028526 1292433126 /nfs/dbraw/zinc/43/31/26/1292433126.db2.gz BZRDQIYTXDNKHY-GJZGRUSLSA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001190996886 1292436462 /nfs/dbraw/zinc/43/64/62/1292436462.db2.gz MNTPQCMUAPBSDI-IBGZPJMESA-N 1 3 345.531 2.882 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001190996886 1292436466 /nfs/dbraw/zinc/43/64/66/1292436466.db2.gz MNTPQCMUAPBSDI-IBGZPJMESA-N 1 3 345.531 2.882 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049502076 1312933787 /nfs/dbraw/zinc/93/37/87/1312933787.db2.gz BAZBJVRLBTUJCX-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)C ZINC001049502076 1312933790 /nfs/dbraw/zinc/93/37/90/1312933790.db2.gz BAZBJVRLBTUJCX-GBESFXJTSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049505929 1312938682 /nfs/dbraw/zinc/93/86/82/1312938682.db2.gz SQFZKIBDUZGBHU-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049505929 1312938686 /nfs/dbraw/zinc/93/86/86/1312938686.db2.gz SQFZKIBDUZGBHU-IPMKNSEASA-N 1 3 333.520 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001203508545 1312942026 /nfs/dbraw/zinc/94/20/26/1312942026.db2.gz YXSJDRDLPZBGSN-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203515187 1312943065 /nfs/dbraw/zinc/94/30/65/1312943065.db2.gz QMWHILDTCHPFRC-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203515415 1312943255 /nfs/dbraw/zinc/94/32/55/1312943255.db2.gz SOXWNIRIUOAHGQ-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203524542 1312945975 /nfs/dbraw/zinc/94/59/75/1312945975.db2.gz WRRYWJXKKHVNBY-CVEARBPZSA-N 1 3 335.517 2.607 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203524543 1312946334 /nfs/dbraw/zinc/94/63/34/1312946334.db2.gz WRRYWJXKKHVNBY-HOTGVXAUSA-N 1 3 335.517 2.607 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191998672 1292735896 /nfs/dbraw/zinc/73/58/96/1292735896.db2.gz PVLMSHLNHVPGSP-KWEPMOPPSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccnc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c1 ZINC001276321279 1292747762 /nfs/dbraw/zinc/74/77/62/1292747762.db2.gz DBDHAHMGOMVRMR-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ccnc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c1 ZINC001276321279 1292747769 /nfs/dbraw/zinc/74/77/69/1292747769.db2.gz DBDHAHMGOMVRMR-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192008337 1292748421 /nfs/dbraw/zinc/74/84/21/1292748421.db2.gz VYZJMHWDANPALB-SFHVURJKSA-N 1 3 347.478 2.531 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3cc(C)ccn3)(C1)CCC2 ZINC001276321297 1292748355 /nfs/dbraw/zinc/74/83/55/1292748355.db2.gz DWHUCGGSJLBGAB-MOPGFXCFSA-N 1 3 333.476 2.535 20 0 EFADHO Cc1nn(-c2ccccn2)c(Cl)c1CNCC1CC[NH+](C)CC1 ZINC000796283414 1292754780 /nfs/dbraw/zinc/75/47/80/1292754780.db2.gz DMPRKEROCOPTPB-UHFFFAOYSA-N 1 3 333.867 2.661 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039271 1292757613 /nfs/dbraw/zinc/75/76/13/1292757613.db2.gz WIVQBKQQZKNVRI-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCOc1ccccc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001203545310 1312952380 /nfs/dbraw/zinc/95/23/80/1312952380.db2.gz HDYUHKAXEFBDLS-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO C[C@H]([NH2+]CCOc1cccnc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000775506781 1292808499 /nfs/dbraw/zinc/80/84/99/1292808499.db2.gz DJLCMWDYQNEBDC-PKOBYXMFSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@H](NCCOc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775506781 1292808508 /nfs/dbraw/zinc/80/85/08/1292808508.db2.gz DJLCMWDYQNEBDC-PKOBYXMFSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@H](NCCOc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775506781 1292808521 /nfs/dbraw/zinc/80/85/21/1292808521.db2.gz DJLCMWDYQNEBDC-PKOBYXMFSA-N 1 3 325.456 2.961 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839550 1292816905 /nfs/dbraw/zinc/81/69/05/1292816905.db2.gz DHTGZESVJGEGPU-ZXCWLBPZSA-N 1 3 335.536 2.757 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)CN(C)CC(C)(C)C)[C@@H]2C1 ZINC001114839550 1292816916 /nfs/dbraw/zinc/81/69/16/1292816916.db2.gz DHTGZESVJGEGPU-ZXCWLBPZSA-N 1 3 335.536 2.757 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1 ZINC001192344838 1292863304 /nfs/dbraw/zinc/86/33/04/1292863304.db2.gz ZPPAWMATGNKYKK-UYAOXDASSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1 ZINC001192344838 1292863317 /nfs/dbraw/zinc/86/33/17/1292863317.db2.gz ZPPAWMATGNKYKK-UYAOXDASSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1 ZINC001192343484 1292876456 /nfs/dbraw/zinc/87/64/56/1292876456.db2.gz PMINYICAIMUYGM-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001192343484 1292876470 /nfs/dbraw/zinc/87/64/70/1292876470.db2.gz PMINYICAIMUYGM-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001192386123 1292885374 /nfs/dbraw/zinc/88/53/74/1292885374.db2.gz OHDOGGDBDURLIH-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C1)N(C)C ZINC001192386123 1292885389 /nfs/dbraw/zinc/88/53/89/1292885389.db2.gz OHDOGGDBDURLIH-PMACEKPBSA-N 1 3 345.531 2.801 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001192386511 1292886457 /nfs/dbraw/zinc/88/64/57/1292886457.db2.gz PQQOEXUUSFAEFL-GOSISDBHSA-N 1 3 331.504 2.697 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001192386511 1292886469 /nfs/dbraw/zinc/88/64/69/1292886469.db2.gz PQQOEXUUSFAEFL-GOSISDBHSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001192387186 1292886951 /nfs/dbraw/zinc/88/69/51/1292886951.db2.gz VLXICUHXPWGVDP-HPAYKRKXSA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001192387186 1292886964 /nfs/dbraw/zinc/88/69/64/1292886964.db2.gz VLXICUHXPWGVDP-HPAYKRKXSA-N 1 3 329.488 2.573 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001095903816 1292923899 /nfs/dbraw/zinc/92/38/99/1292923899.db2.gz MZCDGUSONHYZQB-FUMNGEBKSA-N 1 3 345.531 2.915 20 0 EFADHO O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)[C@H]1CCCCN1C1CCCC1 ZINC001095903816 1292923907 /nfs/dbraw/zinc/92/39/07/1292923907.db2.gz MZCDGUSONHYZQB-FUMNGEBKSA-N 1 3 345.531 2.915 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001192670429 1292975236 /nfs/dbraw/zinc/97/52/36/1292975236.db2.gz AAJCRBHSCTZDEV-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192670429 1292975243 /nfs/dbraw/zinc/97/52/43/1292975243.db2.gz AAJCRBHSCTZDEV-ROUUACIJSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001192670427 1292976716 /nfs/dbraw/zinc/97/67/16/1292976716.db2.gz AAJCRBHSCTZDEV-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192670427 1292976725 /nfs/dbraw/zinc/97/67/25/1292976725.db2.gz AAJCRBHSCTZDEV-QZTJIDSGSA-N 1 3 341.515 2.922 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203652306 1312981911 /nfs/dbraw/zinc/98/19/11/1312981911.db2.gz SYTQWLJIXNKXNN-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001192947686 1293108572 /nfs/dbraw/zinc/10/85/72/1293108572.db2.gz KFKUZJGDGAGTIJ-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001192947686 1293108575 /nfs/dbraw/zinc/10/85/75/1293108575.db2.gz KFKUZJGDGAGTIJ-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001192948035 1293108781 /nfs/dbraw/zinc/10/87/81/1293108781.db2.gz NZPONZBOGJSECV-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001192948035 1293108784 /nfs/dbraw/zinc/10/87/84/1293108784.db2.gz NZPONZBOGJSECV-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001192969955 1293127146 /nfs/dbraw/zinc/12/71/46/1293127146.db2.gz OPUGMZOSYAKEMO-MJGOQNOKSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001192969955 1293127148 /nfs/dbraw/zinc/12/71/48/1293127148.db2.gz OPUGMZOSYAKEMO-MJGOQNOKSA-N 1 3 329.488 2.548 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001192969987 1293127403 /nfs/dbraw/zinc/12/74/03/1293127403.db2.gz PAVHXOUWIWUOAF-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001192969987 1293127406 /nfs/dbraw/zinc/12/74/06/1293127406.db2.gz PAVHXOUWIWUOAF-IBGZPJMESA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203652315 1312981884 /nfs/dbraw/zinc/98/18/84/1312981884.db2.gz TXVRXZTYCLEUAU-DLBZAZTESA-N 1 3 335.536 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203659216 1312982923 /nfs/dbraw/zinc/98/29/23/1312982923.db2.gz GVRAWKLEZWGWAI-HZPDHXFCSA-N 1 3 332.492 2.714 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660650 1312983031 /nfs/dbraw/zinc/98/30/31/1312983031.db2.gz RCIRNLPOLNXCBU-FDRQBBGKSA-N 1 3 330.476 2.634 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC(C)C)C12CCC2 ZINC001203661044 1312983866 /nfs/dbraw/zinc/98/38/66/1312983866.db2.gz SLVIRMFEZHIDFJ-IAGOWNOFSA-N 1 3 332.492 2.714 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193278617 1293230987 /nfs/dbraw/zinc/23/09/87/1293230987.db2.gz IFIKWOJDMHKBGY-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193278617 1293230992 /nfs/dbraw/zinc/23/09/92/1293230992.db2.gz IFIKWOJDMHKBGY-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193291243 1293238283 /nfs/dbraw/zinc/23/82/83/1293238283.db2.gz GXNYJLQJHKOZGB-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193291243 1293238289 /nfs/dbraw/zinc/23/82/89/1293238289.db2.gz GXNYJLQJHKOZGB-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CN(C)[C@@](C)(C(=O)N1CC[C@@H](N(C)C/C=C\Cl)C1)c1ccccc1 ZINC001193408031 1293282926 /nfs/dbraw/zinc/28/29/26/1293282926.db2.gz BYCIYJNNLJYGOV-CVXMMYKXSA-N 1 3 349.906 2.749 20 0 EFADHO CN(C/C=C\Cl)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408031 1293282930 /nfs/dbraw/zinc/28/29/30/1293282930.db2.gz BYCIYJNNLJYGOV-CVXMMYKXSA-N 1 3 349.906 2.749 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460396 1293310424 /nfs/dbraw/zinc/31/04/24/1293310424.db2.gz BSYWGWDCAUDVTI-XXGTVTCJSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460396 1293310433 /nfs/dbraw/zinc/31/04/33/1293310433.db2.gz BSYWGWDCAUDVTI-XXGTVTCJSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571971 1293349479 /nfs/dbraw/zinc/34/94/79/1293349479.db2.gz ZDKVYUNZUHWFIC-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO Cc1c(Br)cncc1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205637903 1293359312 /nfs/dbraw/zinc/35/93/12/1293359312.db2.gz JVLKRIJVXNUDEC-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C/C=C/c2ccccc2)C1 ZINC001193621541 1293371647 /nfs/dbraw/zinc/37/16/47/1293371647.db2.gz HALAWBHQUBUPRT-BLRBJFNZSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001193621541 1293371651 /nfs/dbraw/zinc/37/16/51/1293371651.db2.gz HALAWBHQUBUPRT-BLRBJFNZSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001193630301 1293375083 /nfs/dbraw/zinc/37/50/83/1293375083.db2.gz HEVVPJJTKWTQQZ-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001193630301 1293375090 /nfs/dbraw/zinc/37/50/90/1293375090.db2.gz HEVVPJJTKWTQQZ-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCc2ccc3oc(=O)oc3c2)c1 ZINC000882898424 1293375438 /nfs/dbraw/zinc/37/54/38/1293375438.db2.gz KAELFRQQPRSRQM-UHFFFAOYSA-N 1 3 342.395 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001193642419 1293380661 /nfs/dbraw/zinc/38/06/61/1293380661.db2.gz NTICKOSBFLNZOF-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001193642419 1293380668 /nfs/dbraw/zinc/38/06/68/1293380668.db2.gz NTICKOSBFLNZOF-QGZVFWFLSA-N 1 3 335.467 2.509 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001193642053 1293382896 /nfs/dbraw/zinc/38/28/96/1293382896.db2.gz KXVZSHIVQPQAQR-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001193642053 1293382903 /nfs/dbraw/zinc/38/29/03/1293382903.db2.gz KXVZSHIVQPQAQR-MEJUDOHFSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001193643327 1293384180 /nfs/dbraw/zinc/38/41/80/1293384180.db2.gz SNFMZCFBJVZOBS-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001193643327 1293384185 /nfs/dbraw/zinc/38/41/85/1293384185.db2.gz SNFMZCFBJVZOBS-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001193643521 1293385092 /nfs/dbraw/zinc/38/50/92/1293385092.db2.gz VQFGFIQIPBBJPM-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001193643521 1293385100 /nfs/dbraw/zinc/38/51/00/1293385100.db2.gz VQFGFIQIPBBJPM-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001193643723 1293385742 /nfs/dbraw/zinc/38/57/42/1293385742.db2.gz ZKQPERKHBNCVJX-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3c2cccc3F)C1 ZINC001193643723 1293385750 /nfs/dbraw/zinc/38/57/50/1293385750.db2.gz ZKQPERKHBNCVJX-KXBFYZLASA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193643598 1293385836 /nfs/dbraw/zinc/38/58/36/1293385836.db2.gz XMIIIGARRQFDLB-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001193643598 1293385846 /nfs/dbraw/zinc/38/58/46/1293385846.db2.gz XMIIIGARRQFDLB-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193643597 1293385944 /nfs/dbraw/zinc/38/59/44/1293385944.db2.gz XMIIIGARRQFDLB-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001193643597 1293385952 /nfs/dbraw/zinc/38/59/52/1293385952.db2.gz XMIIIGARRQFDLB-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001016825268 1312999358 /nfs/dbraw/zinc/99/93/58/1312999358.db2.gz GZVDIAYQKOBVBV-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC001016828027 1313000429 /nfs/dbraw/zinc/00/04/29/1313000429.db2.gz BUAKUVGDBZABSF-WBVHZDCISA-N 1 3 347.528 2.703 20 0 EFADHO Fc1ccc(CC[NH+]2CCC(N[C@H]3CCCC34OCCO4)CC2)cc1 ZINC000883179357 1293495942 /nfs/dbraw/zinc/49/59/42/1293495942.db2.gz VHDDQYWKFGNZHO-IBGZPJMESA-N 1 3 348.462 2.718 20 0 EFADHO CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194238140 1293566389 /nfs/dbraw/zinc/56/63/89/1293566389.db2.gz KBJVLTGZWFHRGZ-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194238140 1293566391 /nfs/dbraw/zinc/56/63/91/1293566391.db2.gz KBJVLTGZWFHRGZ-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H](F)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246718 1293569708 /nfs/dbraw/zinc/56/97/08/1293569708.db2.gz QMHNESBPGIIQRB-NVXWUHKLSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246718 1293569715 /nfs/dbraw/zinc/56/97/15/1293569715.db2.gz QMHNESBPGIIQRB-NVXWUHKLSA-N 1 3 335.467 2.643 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001194265855 1293574445 /nfs/dbraw/zinc/57/44/45/1293574445.db2.gz HINOKWBNKIOMLQ-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001194265855 1293574451 /nfs/dbraw/zinc/57/44/51/1293574451.db2.gz HINOKWBNKIOMLQ-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203792986 1293576427 /nfs/dbraw/zinc/57/64/27/1293576427.db2.gz RGKMUKVLKVVSQW-QWHCGFSZSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1 ZINC001194284019 1293586214 /nfs/dbraw/zinc/58/62/14/1293586214.db2.gz DXTGKBDQSXZSAV-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1 ZINC001194284019 1293586219 /nfs/dbraw/zinc/58/62/19/1293586219.db2.gz DXTGKBDQSXZSAV-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284692 1293586717 /nfs/dbraw/zinc/58/67/17/1293586717.db2.gz LWJJNHMGKLQDBA-GOSISDBHSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284692 1293586721 /nfs/dbraw/zinc/58/67/21/1293586721.db2.gz LWJJNHMGKLQDBA-GOSISDBHSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194285474 1293588238 /nfs/dbraw/zinc/58/82/38/1293588238.db2.gz SDQWILLLVRGODW-IBGZPJMESA-N 1 3 345.531 2.985 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)c1 ZINC001194285474 1293588244 /nfs/dbraw/zinc/58/82/44/1293588244.db2.gz SDQWILLLVRGODW-IBGZPJMESA-N 1 3 345.531 2.985 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285847 1293588470 /nfs/dbraw/zinc/58/84/70/1293588470.db2.gz SUZKKWKROUHKPD-MSOLQXFVSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285847 1293588476 /nfs/dbraw/zinc/58/84/76/1293588476.db2.gz SUZKKWKROUHKPD-MSOLQXFVSA-N 1 3 331.504 2.929 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001194293092 1293590688 /nfs/dbraw/zinc/59/06/88/1293590688.db2.gz FEAKYHSNDWQIGK-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001194293092 1293590692 /nfs/dbraw/zinc/59/06/92/1293590692.db2.gz FEAKYHSNDWQIGK-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001194296272 1293593756 /nfs/dbraw/zinc/59/37/56/1293593756.db2.gz YXISOFBVGDNSEH-INIZCTEOSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001194296272 1293593757 /nfs/dbraw/zinc/59/37/57/1293593757.db2.gz YXISOFBVGDNSEH-INIZCTEOSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001194296136 1293594153 /nfs/dbraw/zinc/59/41/53/1293594153.db2.gz WVWUJXQBXPSNAD-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001194296136 1293594158 /nfs/dbraw/zinc/59/41/58/1293594158.db2.gz WVWUJXQBXPSNAD-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001194296274 1293594197 /nfs/dbraw/zinc/59/41/97/1293594197.db2.gz YXISOFBVGDNSEH-MRXNPFEDSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001194296274 1293594202 /nfs/dbraw/zinc/59/42/02/1293594202.db2.gz YXISOFBVGDNSEH-MRXNPFEDSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016859763 1313014142 /nfs/dbraw/zinc/01/41/42/1313014142.db2.gz CIAIQMFBOSXAQD-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001016860228 1313014918 /nfs/dbraw/zinc/01/49/18/1313014918.db2.gz HGSVGACEROOWMO-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203791083 1313016187 /nfs/dbraw/zinc/01/61/87/1313016187.db2.gz CIHNFWUCRYXCBN-MSOLQXFVSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791109 1313016245 /nfs/dbraw/zinc/01/62/45/1313016245.db2.gz CNOYFEHLDXNQQB-RBUKOAKNSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203791801 1313016577 /nfs/dbraw/zinc/01/65/77/1313016577.db2.gz LLKLZJVBGBHEKO-MSOLQXFVSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203791441 1313016687 /nfs/dbraw/zinc/01/66/87/1313016687.db2.gz IOVIUDWSEVJEPE-ZWKOTPCHSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203791085 1313016720 /nfs/dbraw/zinc/01/67/20/1313016720.db2.gz CIHNFWUCRYXCBN-ROUUACIJSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203792424 1313016971 /nfs/dbraw/zinc/01/69/71/1313016971.db2.gz PFQMZQQMVOEFHM-MSOLQXFVSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203794548 1313017722 /nfs/dbraw/zinc/01/77/22/1313017722.db2.gz XILUWLVNBUOZOD-ZWKOTPCHSA-N 1 3 329.488 2.544 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)C(C)C)C23CCC3)cs1 ZINC001203793773 1313018133 /nfs/dbraw/zinc/01/81/33/1313018133.db2.gz UDRMJPPEUSFROX-IRXDYDNUSA-N 1 3 349.544 2.914 20 0 EFADHO CN(c1ccccc1CNC[C@@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000132869894 1293720570 /nfs/dbraw/zinc/72/05/70/1293720570.db2.gz BKJBBMBATXQBDV-LJQANCHMSA-N 1 3 343.471 2.633 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001203925868 1313048292 /nfs/dbraw/zinc/04/82/92/1313048292.db2.gz XAJUXMYUZPRXFZ-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000884312715 1294091099 /nfs/dbraw/zinc/09/10/99/1294091099.db2.gz LYLHLXFCRKPMDS-JKSUJKDBSA-N 1 3 325.884 2.693 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000884329510 1294100000 /nfs/dbraw/zinc/10/00/00/1294100000.db2.gz OBOURONTAPOJQD-LZQZEXGQSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CC2CC2)C[N@H+]1Cc1ccccc1 ZINC000884329510 1294100008 /nfs/dbraw/zinc/10/00/08/1294100008.db2.gz OBOURONTAPOJQD-LZQZEXGQSA-N 1 3 329.488 2.531 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC001196011029 1294104783 /nfs/dbraw/zinc/10/47/83/1294104783.db2.gz VTINAITVUXUEPB-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001196011029 1294104785 /nfs/dbraw/zinc/10/47/85/1294104785.db2.gz VTINAITVUXUEPB-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196024950 1294109192 /nfs/dbraw/zinc/10/91/92/1294109192.db2.gz LNQGNIADQODLDK-QGZVFWFLSA-N 1 3 329.504 2.637 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001196024950 1294109193 /nfs/dbraw/zinc/10/91/93/1294109193.db2.gz LNQGNIADQODLDK-QGZVFWFLSA-N 1 3 329.504 2.637 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024243 1294109414 /nfs/dbraw/zinc/10/94/14/1294109414.db2.gz GMMOOICBANUEPP-GIFJBRJJSA-N 1 3 341.515 2.947 20 0 EFADHO CCC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196024243 1294109417 /nfs/dbraw/zinc/10/94/17/1294109417.db2.gz GMMOOICBANUEPP-GIFJBRJJSA-N 1 3 341.515 2.947 20 0 EFADHO N[C@@H](CC1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000884386790 1294125066 /nfs/dbraw/zinc/12/50/66/1294125066.db2.gz AALQQUDLIQUDMM-KRWDZBQOSA-N 1 3 333.501 2.940 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+]CC2CC3(CCC3)C2)c1 ZINC001152246293 1294127382 /nfs/dbraw/zinc/12/73/82/1294127382.db2.gz WWVWJPCOUZIHCV-UHFFFAOYSA-N 1 3 329.488 2.648 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215579 1294167355 /nfs/dbraw/zinc/16/73/55/1294167355.db2.gz OCTIENBJYFLOCH-ROUUACIJSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001196215579 1294167359 /nfs/dbraw/zinc/16/73/59/1294167359.db2.gz OCTIENBJYFLOCH-ROUUACIJSA-N 1 3 325.541 2.789 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016952398 1313056596 /nfs/dbraw/zinc/05/65/96/1313056596.db2.gz VKMHJOCMKYIAIU-GOSISDBHSA-N 1 3 342.487 2.732 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001196340865 1294204063 /nfs/dbraw/zinc/20/40/63/1294204063.db2.gz LBGHMSQPZGWISJ-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001196340865 1294204065 /nfs/dbraw/zinc/20/40/65/1294204065.db2.gz LBGHMSQPZGWISJ-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001196342023 1294205098 /nfs/dbraw/zinc/20/50/98/1294205098.db2.gz VBDSPNUMNLPTHU-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001196342023 1294205103 /nfs/dbraw/zinc/20/51/03/1294205103.db2.gz VBDSPNUMNLPTHU-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1 ZINC001276436579 1313069901 /nfs/dbraw/zinc/06/99/01/1313069901.db2.gz SUZRNNAKHLCYGU-YSIASYRMSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1)c1ccccc1 ZINC001276436579 1313069904 /nfs/dbraw/zinc/06/99/04/1313069904.db2.gz SUZRNNAKHLCYGU-YSIASYRMSA-N 1 3 343.515 2.522 20 0 EFADHO CCC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983368 1313071224 /nfs/dbraw/zinc/07/12/24/1313071224.db2.gz ROYUGEQAELKVKK-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016984007 1313071787 /nfs/dbraw/zinc/07/17/87/1313071787.db2.gz XZGYUMHYCGSDJL-IBGZPJMESA-N 1 3 341.499 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016984009 1313071949 /nfs/dbraw/zinc/07/19/49/1313071949.db2.gz XZGYUMHYCGSDJL-LJQANCHMSA-N 1 3 341.499 2.743 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN([C@@H]2CCc3ccccc32)CC1 ZINC001196970818 1294414773 /nfs/dbraw/zinc/41/47/73/1294414773.db2.gz YIEPSWCJBSVFPE-LJQANCHMSA-N 1 3 329.488 2.550 20 0 EFADHO CSc1cc(C(=O)N(CCCC[NH3+])C(=N)N)cc(C(F)(F)F)c1 ZINC001196996073 1294432168 /nfs/dbraw/zinc/43/21/68/1294432168.db2.gz CMEUFBMVSTWDDV-UHFFFAOYSA-N 1 3 348.394 2.502 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)CN1CCC[C@H]1C ZINC000958803128 1294504366 /nfs/dbraw/zinc/50/43/66/1294504366.db2.gz MXUXYTVMRCSEGR-APWZRJJASA-N 1 3 329.488 2.595 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396872 1294530046 /nfs/dbraw/zinc/53/00/46/1294530046.db2.gz RUFLQRGGDSSTJR-FPXQDXNASA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396872 1294530052 /nfs/dbraw/zinc/53/00/52/1294530052.db2.gz RUFLQRGGDSSTJR-FPXQDXNASA-N 1 3 333.520 2.894 20 0 EFADHO c1n[nH]cc1CN1CCCC2(CC[NH+](C[C@H]3CCCCO3)CC2)C1 ZINC001276442750 1313085844 /nfs/dbraw/zinc/08/58/44/1313085844.db2.gz FTHJHLMVUNJRAC-GOSISDBHSA-N 1 3 332.492 2.657 20 0 EFADHO C(C1CCCC1)N1CCC([NH2+][C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000885953677 1294585993 /nfs/dbraw/zinc/58/59/93/1294585993.db2.gz CPJQSFBRJMWESF-LJQANCHMSA-N 1 3 336.520 2.959 20 0 EFADHO COCCCN1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885963391 1294592661 /nfs/dbraw/zinc/59/26/61/1294592661.db2.gz MSPFBMQCIACBPA-UHFFFAOYSA-N 1 3 342.430 2.921 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615076 1313089373 /nfs/dbraw/zinc/08/93/73/1313089373.db2.gz HNGNUIASYIDYGR-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615076 1313089378 /nfs/dbraw/zinc/08/93/78/1313089378.db2.gz HNGNUIASYIDYGR-XUVXKRRUSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1cc(CN2CCC3(C2)CC[NH+](C[C@H]2CCCCO2)CC3)n(C)n1 ZINC001276444685 1313089883 /nfs/dbraw/zinc/08/98/83/1313089883.db2.gz VXFTYYIIAOPUPI-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049615692 1313090047 /nfs/dbraw/zinc/09/00/47/1313090047.db2.gz NIGGILOREQLIPW-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049615692 1313090051 /nfs/dbraw/zinc/09/00/51/1313090051.db2.gz NIGGILOREQLIPW-UFYCRDLUSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616431 1313090404 /nfs/dbraw/zinc/09/04/04/1313090404.db2.gz VWGJVBXATQNDPZ-VAMGGRTRSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616431 1313090408 /nfs/dbraw/zinc/09/04/08/1313090408.db2.gz VWGJVBXATQNDPZ-VAMGGRTRSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616017 1313090522 /nfs/dbraw/zinc/09/05/22/1313090522.db2.gz PUNAFYAUHVFBDJ-IPMKNSEASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049616017 1313090526 /nfs/dbraw/zinc/09/05/26/1313090526.db2.gz PUNAFYAUHVFBDJ-IPMKNSEASA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006401659 1294736272 /nfs/dbraw/zinc/73/62/72/1294736272.db2.gz UPMKMJADXKSSDC-NVXWUHKLSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006401659 1294736280 /nfs/dbraw/zinc/73/62/80/1294736280.db2.gz UPMKMJADXKSSDC-NVXWUHKLSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001197817117 1294749461 /nfs/dbraw/zinc/74/94/61/1294749461.db2.gz GGFMATDRASYPFI-INIZCTEOSA-N 1 3 334.508 2.904 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH]cn2)CC1 ZINC001197817117 1294749468 /nfs/dbraw/zinc/74/94/68/1294749468.db2.gz GGFMATDRASYPFI-INIZCTEOSA-N 1 3 334.508 2.904 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)C1 ZINC001198097724 1294874999 /nfs/dbraw/zinc/87/49/99/1294874999.db2.gz FURKIMNPBYGVOK-URZUPRTMSA-N 1 3 341.499 2.576 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)C1 ZINC001198097724 1294875013 /nfs/dbraw/zinc/87/50/13/1294875013.db2.gz FURKIMNPBYGVOK-URZUPRTMSA-N 1 3 341.499 2.576 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)C1 ZINC001198097723 1294875492 /nfs/dbraw/zinc/87/54/92/1294875492.db2.gz FURKIMNPBYGVOK-KYRNDMNFSA-N 1 3 341.499 2.576 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(CC/C=C\c3ccccc3)CC2)C1 ZINC001198097723 1294875504 /nfs/dbraw/zinc/87/55/04/1294875504.db2.gz FURKIMNPBYGVOK-KYRNDMNFSA-N 1 3 341.499 2.576 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629646 1313109749 /nfs/dbraw/zinc/10/97/49/1313109749.db2.gz LIDIHLDEANHQAP-RCCFBDPRSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629646 1313109752 /nfs/dbraw/zinc/10/97/52/1313109752.db2.gz LIDIHLDEANHQAP-RCCFBDPRSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001234346359 1313109760 /nfs/dbraw/zinc/10/97/60/1313109760.db2.gz TZSTZSGKGPFXOM-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CC[N@H+]1CC1CCCC1)C(=O)C(C)(C)N1CCCCC1 ZINC001234346359 1313109763 /nfs/dbraw/zinc/10/97/63/1313109763.db2.gz TZSTZSGKGPFXOM-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(Cc1ccc(OC)c(OC)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903719350 1313113269 /nfs/dbraw/zinc/11/32/69/1313113269.db2.gz YNFRIAHJHQBDRO-KRWDZBQOSA-N 1 3 348.487 2.684 20 0 EFADHO COC(=O)[C@@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204272577 1313113307 /nfs/dbraw/zinc/11/33/07/1313113307.db2.gz QPMJQZNDJMSFNO-GOSISDBHSA-N 1 3 348.487 2.792 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258944 1294960691 /nfs/dbraw/zinc/96/06/91/1294960691.db2.gz GUVSPAKKIXZABP-ZMBJWTFHSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)N(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001152446422 1295030310 /nfs/dbraw/zinc/03/03/10/1295030310.db2.gz YLIGRUTUQZAGSR-LBPRGKRZSA-N 1 3 329.847 2.586 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203904427 1295031870 /nfs/dbraw/zinc/03/18/70/1295031870.db2.gz WIBOEUCNAJTNHF-HVCHUGMYSA-N 1 3 348.318 2.760 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203904427 1295031882 /nfs/dbraw/zinc/03/18/82/1295031882.db2.gz WIBOEUCNAJTNHF-HVCHUGMYSA-N 1 3 348.318 2.760 20 0 EFADHO c1ccc([C@H]2CSCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903725194 1313122689 /nfs/dbraw/zinc/12/26/89/1313122689.db2.gz XUWBAXHWFCBKDW-ZWKOTPCHSA-N 1 3 332.513 2.935 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCCc1cccc(C)c1 ZINC001152451840 1295056482 /nfs/dbraw/zinc/05/64/82/1295056482.db2.gz JHGABKZMXOEUNW-LJQANCHMSA-N 1 3 331.504 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001152452209 1295057279 /nfs/dbraw/zinc/05/72/79/1295057279.db2.gz WROYOYTXPDKQQT-MSOLQXFVSA-N 1 3 349.906 2.908 20 0 EFADHO O=C(Nc1ccc(F)cc1)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903726046 1313123781 /nfs/dbraw/zinc/12/37/81/1313123781.db2.gz JUQSYZZZEZACFI-OAHLLOKOSA-N 1 3 333.451 2.866 20 0 EFADHO Fc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903727133 1313125407 /nfs/dbraw/zinc/12/54/07/1313125407.db2.gz QUPCNODPNWGQDD-SLFFLAALSA-N 1 3 348.462 2.575 20 0 EFADHO CC1(C)OC[C@H](CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886648510 1295090105 /nfs/dbraw/zinc/09/01/05/1295090105.db2.gz WBWROEXUWLDZJL-OTWHNJEPSA-N 1 3 330.472 2.592 20 0 EFADHO CC1(C)OC[C@H](CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)O1 ZINC000886648510 1295090117 /nfs/dbraw/zinc/09/01/17/1295090117.db2.gz WBWROEXUWLDZJL-OTWHNJEPSA-N 1 3 330.472 2.592 20 0 EFADHO c1ccc([C@@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCS2)cc1 ZINC000903730492 1313132284 /nfs/dbraw/zinc/13/22/84/1313132284.db2.gz WTJPHDFQCLVGKO-ROUUACIJSA-N 1 3 332.513 2.935 20 0 EFADHO CCOCC[NH+]1CCC2(CCCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277858052 1313132452 /nfs/dbraw/zinc/13/24/52/1313132452.db2.gz LZNWPOUAMPUPPM-UHFFFAOYSA-N 1 3 333.476 2.502 20 0 EFADHO Cc1cnsc1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276461219 1313133053 /nfs/dbraw/zinc/13/30/53/1313133053.db2.gz FWPIRGOWXNRZPB-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1cnsc1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276461219 1313133055 /nfs/dbraw/zinc/13/30/55/1313133055.db2.gz FWPIRGOWXNRZPB-GOSISDBHSA-N 1 3 336.549 2.691 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](CCn4ccnc4)CC[C@@H]3C2)o1 ZINC001276461246 1313133479 /nfs/dbraw/zinc/13/34/79/1313133479.db2.gz IOVHZEXMWDYBPS-IYBDPMFKSA-N 1 3 348.878 2.974 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](CCn4ccnc4)CC[C@@H]3C2)o1 ZINC001276461246 1313133481 /nfs/dbraw/zinc/13/34/81/1313133481.db2.gz IOVHZEXMWDYBPS-IYBDPMFKSA-N 1 3 348.878 2.974 20 0 EFADHO CCCN[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1OC ZINC001198826730 1295251569 /nfs/dbraw/zinc/25/15/69/1295251569.db2.gz MMJKLASONRZSPZ-QGZVFWFLSA-N 1 3 347.503 2.727 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NC(C)C ZINC001198827397 1295254201 /nfs/dbraw/zinc/25/42/01/1295254201.db2.gz RKPQZRYJWJJQDG-QGZVFWFLSA-N 1 3 347.503 2.725 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071424 1313139909 /nfs/dbraw/zinc/13/99/09/1313139909.db2.gz MKNVNDLSRMERKE-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071424 1313139911 /nfs/dbraw/zinc/13/99/11/1313139911.db2.gz MKNVNDLSRMERKE-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](NCC)c2ccccc2OC)C1 ZINC001198856171 1295280512 /nfs/dbraw/zinc/28/05/12/1295280512.db2.gz GCHPIQDQTZMWQE-AEFFLSMTSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](NCC)c2ccccc2OC)C1 ZINC001198856171 1295280520 /nfs/dbraw/zinc/28/05/20/1295280520.db2.gz GCHPIQDQTZMWQE-AEFFLSMTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895450 1295297514 /nfs/dbraw/zinc/29/75/14/1295297514.db2.gz RGJLKOUKBCBVGZ-MSOLQXFVSA-N 1 3 349.519 2.973 20 0 EFADHO CCN[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)c1ccccc1OC ZINC001198895902 1295299342 /nfs/dbraw/zinc/29/93/42/1295299342.db2.gz XXUUTDQOVMCOPM-SJORKVTESA-N 1 3 335.492 2.582 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CC[NH+](C)C)NCCC(C)(C)C ZINC001198885377 1295319468 /nfs/dbraw/zinc/31/94/68/1295319468.db2.gz FYNPLBVGEZYCQM-KRWDZBQOSA-N 1 3 349.519 2.830 20 0 EFADHO Cc1nc2c(s1)[C@@H](N(C)C[C@@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903739202 1313144545 /nfs/dbraw/zinc/14/45/45/1313144545.db2.gz FCZIOOVUAYVMIF-HOCLYGCPSA-N 1 3 335.517 2.919 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939356 1295342642 /nfs/dbraw/zinc/34/26/42/1295342642.db2.gz KSSAJYPSEHZEPT-AEFFLSMTSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCCN[C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953976 1295352195 /nfs/dbraw/zinc/35/21/95/1295352195.db2.gz XQZUGMCRZOWDQN-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO CCCCCN[C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953976 1295352201 /nfs/dbraw/zinc/35/22/01/1295352201.db2.gz XQZUGMCRZOWDQN-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO CCCCC[NH2+][C@@H](CNC(=O)CN(C)CCC)c1ccccc1OC ZINC001198968202 1295363877 /nfs/dbraw/zinc/36/38/77/1295363877.db2.gz LZRUZUFMYXDVTO-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198993796 1295390550 /nfs/dbraw/zinc/39/05/50/1295390550.db2.gz SDBSRCSQWKEJOW-MSOLQXFVSA-N 1 3 347.503 2.725 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198994214 1295390672 /nfs/dbraw/zinc/39/06/72/1295390672.db2.gz VYPSKQHEGZEWDW-WMZOPIPTSA-N 1 3 349.519 2.828 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CC[NH+]1CCCCC1)NC(C)C ZINC001198994193 1295391498 /nfs/dbraw/zinc/39/14/98/1295391498.db2.gz VQBFGZAILFDUOQ-GOSISDBHSA-N 1 3 347.503 2.727 20 0 EFADHO COc1cc(NC2CCN(C[C@H]3CCCC[NH2+]C3)CC2)cc(OC)c1 ZINC000903742768 1313149785 /nfs/dbraw/zinc/14/97/85/1313149785.db2.gz ZOWZMQNKUYOHKT-INIZCTEOSA-N 1 3 347.503 2.970 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001234640514 1313175246 /nfs/dbraw/zinc/17/52/46/1313175246.db2.gz ABHLFXYZZIOWBI-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001234640514 1313175248 /nfs/dbraw/zinc/17/52/48/1313175248.db2.gz ABHLFXYZZIOWBI-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO COC(=O)c1ccc(CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c2ncccc12 ZINC000903761376 1313176560 /nfs/dbraw/zinc/17/65/60/1313176560.db2.gz QZFBDNAYKYYQRT-YCPHGPKFSA-N 1 3 341.455 2.827 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001199788767 1295753031 /nfs/dbraw/zinc/75/30/31/1295753031.db2.gz ZOMZHUFSTSPCMJ-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO CCOC(=O)c1c(C)[nH]c(CN2CCCC3(CC[NH2+]CC3)C2)c1C ZINC001204735571 1313187094 /nfs/dbraw/zinc/18/70/94/1313187094.db2.gz XYCDMPWLUQGDOU-UHFFFAOYSA-N 1 3 333.476 2.774 20 0 EFADHO COCCOCN1C[C@@H]2CC[N@@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277898622 1313196637 /nfs/dbraw/zinc/19/66/37/1313196637.db2.gz HKTWEGCIUIOIGP-GASCZTMLSA-N 1 3 338.414 2.593 20 0 EFADHO COCCOCN1C[C@@H]2CC[N@H+](CCCC(F)(F)F)CC[C@@H]2C1 ZINC001277898622 1313196640 /nfs/dbraw/zinc/19/66/40/1313196640.db2.gz HKTWEGCIUIOIGP-GASCZTMLSA-N 1 3 338.414 2.593 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001204799276 1313196691 /nfs/dbraw/zinc/19/66/91/1313196691.db2.gz VNUGHUMCPUZAQC-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)CCC1 ZINC001017141201 1313197601 /nfs/dbraw/zinc/19/76/01/1313197601.db2.gz CBTBKAHKDBAUBU-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)CCC1 ZINC001017141201 1313197605 /nfs/dbraw/zinc/19/76/05/1313197605.db2.gz CBTBKAHKDBAUBU-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)CCC1 ZINC001017141199 1313197732 /nfs/dbraw/zinc/19/77/32/1313197732.db2.gz CBTBKAHKDBAUBU-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)CCC1 ZINC001017141199 1313197734 /nfs/dbraw/zinc/19/77/34/1313197734.db2.gz CBTBKAHKDBAUBU-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869608 1313204728 /nfs/dbraw/zinc/20/47/28/1313204728.db2.gz FTCGLVBVHTWGBP-CGTJXYLNSA-N 1 3 337.458 2.684 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869608 1313204731 /nfs/dbraw/zinc/20/47/31/1313204731.db2.gz FTCGLVBVHTWGBP-CGTJXYLNSA-N 1 3 337.458 2.684 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001037246332 1296040649 /nfs/dbraw/zinc/04/06/49/1296040649.db2.gz KXBZPDQEIGHMRF-IAGOWNOFSA-N 1 3 332.492 2.715 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017154336 1313209865 /nfs/dbraw/zinc/20/98/65/1313209865.db2.gz UDTYMGLHNQEYLB-PKOBYXMFSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001017154336 1313209870 /nfs/dbraw/zinc/20/98/70/1313209870.db2.gz UDTYMGLHNQEYLB-PKOBYXMFSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017154594 1313209939 /nfs/dbraw/zinc/20/99/39/1313209939.db2.gz VFXNNBHZQULVQX-DOTOQJQBSA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017154594 1313209942 /nfs/dbraw/zinc/20/99/42/1313209942.db2.gz VFXNNBHZQULVQX-DOTOQJQBSA-N 1 3 337.533 2.759 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001037249441 1296087793 /nfs/dbraw/zinc/08/77/93/1296087793.db2.gz YYJHTBGURCGHFC-ROUUACIJSA-N 1 3 340.471 2.725 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccc(CSC(F)F)o2)CC1 ZINC000105476679 1296111356 /nfs/dbraw/zinc/11/13/56/1296111356.db2.gz ZWEGPWFLGRPOFE-UHFFFAOYSA-N 1 3 347.475 2.853 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccc(CSC(F)F)o2)CC1 ZINC000105476679 1296111364 /nfs/dbraw/zinc/11/13/64/1296111364.db2.gz ZWEGPWFLGRPOFE-UHFFFAOYSA-N 1 3 347.475 2.853 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001115160328 1296121758 /nfs/dbraw/zinc/12/17/58/1296121758.db2.gz SNRPDVKKHAJJEJ-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001115160328 1296121772 /nfs/dbraw/zinc/12/17/72/1296121772.db2.gz SNRPDVKKHAJJEJ-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN(C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000903793286 1313223260 /nfs/dbraw/zinc/22/32/60/1313223260.db2.gz QCFBPXBNYOKVSF-IBGZPJMESA-N 1 3 346.421 2.991 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793673 1313224471 /nfs/dbraw/zinc/22/44/71/1313224471.db2.gz IAUKCLTXUGLXBG-LJQANCHMSA-N 1 3 343.515 2.770 20 0 EFADHO CC(C)CN(C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1)C1CC1 ZINC000903794105 1313224720 /nfs/dbraw/zinc/22/47/20/1313224720.db2.gz NTCNSHBFKAQQNA-UHFFFAOYSA-N 1 3 343.515 2.626 20 0 EFADHO CN(C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1)C1CCCCC1 ZINC000903794439 1313225155 /nfs/dbraw/zinc/22/51/55/1313225155.db2.gz VGKGVIQWIFANSQ-UHFFFAOYSA-N 1 3 343.515 2.770 20 0 EFADHO CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794547 1313225320 /nfs/dbraw/zinc/22/53/20/1313225320.db2.gz ZGAAQZPLYZLEAH-IAGOWNOFSA-N 1 3 331.504 2.672 20 0 EFADHO Cc1c(O)cccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001275028053 1296223169 /nfs/dbraw/zinc/22/31/69/1296223169.db2.gz WGVBAZQELUCUMT-UHFFFAOYSA-N 1 3 340.471 2.912 20 0 EFADHO c1[nH]c2ccccc2c1CCN1CCC2(C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001275172725 1296243439 /nfs/dbraw/zinc/24/34/39/1296243439.db2.gz UFUBDUULPKOXFX-KRWDZBQOSA-N 1 3 339.483 2.755 20 0 EFADHO CN(c1ccc(C2(N3CCN(C)CC3)CC2)cc1)c1cc(N)cc[nH+]1 ZINC001205107596 1313233886 /nfs/dbraw/zinc/23/38/86/1313233886.db2.gz HHAZEOLKTUWKLY-UHFFFAOYSA-N 1 3 337.471 2.668 20 0 EFADHO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277922318 1313241016 /nfs/dbraw/zinc/24/10/16/1313241016.db2.gz KPTOIULWKRSFNK-BHIYHBOVSA-N 1 3 347.547 2.878 20 0 EFADHO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277922318 1313241020 /nfs/dbraw/zinc/24/10/20/1313241020.db2.gz KPTOIULWKRSFNK-BHIYHBOVSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC000960044446 1296399036 /nfs/dbraw/zinc/39/90/36/1296399036.db2.gz RSRNSSPZUDWKLR-DLBZAZTESA-N 1 3 337.533 2.867 20 0 EFADHO CN1CCN(c2cccc(CN3CCCC[C@]34CCC[NH2+]C4)c2)CC1 ZINC001235175817 1313257455 /nfs/dbraw/zinc/25/74/55/1313257455.db2.gz AVZXWXGTLWOEAT-OAQYLSRUSA-N 1 3 342.531 2.547 20 0 EFADHO Cc1cccc2cc(CN3CCC[C@@](O)(C[NH3+])CC3)c(Cl)nc12 ZINC001205242259 1313257812 /nfs/dbraw/zinc/25/78/12/1313257812.db2.gz XZYVWZJDLQDMRE-SFHVURJKSA-N 1 3 333.863 2.872 20 0 EFADHO CC(C)(C)OC(=O)NCCCC[N@@H+]1CCCCC12CCNCC2 ZINC001235191725 1313260387 /nfs/dbraw/zinc/26/03/87/1313260387.db2.gz XEYLMUKWRCPVNC-UHFFFAOYSA-N 1 3 325.497 2.899 20 0 EFADHO CC(C)(C)OC(=O)NCCCC[N@H+]1CCCCC12CCNCC2 ZINC001235191725 1313260389 /nfs/dbraw/zinc/26/03/89/1313260389.db2.gz XEYLMUKWRCPVNC-UHFFFAOYSA-N 1 3 325.497 2.899 20 0 EFADHO C(CC1CCCCC1)CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235206570 1313263263 /nfs/dbraw/zinc/26/32/63/1313263263.db2.gz UQOVXVLBAMLCLX-UHFFFAOYSA-N 1 3 348.535 2.821 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC000960136756 1296497409 /nfs/dbraw/zinc/49/74/09/1296497409.db2.gz LKESXOVTLGDEIJ-OALUTQOASA-N 1 3 346.519 2.509 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000960150813 1296512197 /nfs/dbraw/zinc/51/21/97/1296512197.db2.gz OTJOSGDGPNAYDX-PKOBYXMFSA-N 1 3 338.455 2.610 20 0 EFADHO C[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209262 1313266550 /nfs/dbraw/zinc/26/65/50/1313266550.db2.gz MKKSFYWWTJAXNU-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001017209262 1313266554 /nfs/dbraw/zinc/26/65/54/1313266554.db2.gz MKKSFYWWTJAXNU-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC000960169737 1296535466 /nfs/dbraw/zinc/53/54/66/1296535466.db2.gz AMFPJCQMMWJJQA-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000960169737 1296535480 /nfs/dbraw/zinc/53/54/80/1296535480.db2.gz AMFPJCQMMWJJQA-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO O=C(c1ccccc1Cl)C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903831100 1313268158 /nfs/dbraw/zinc/26/81/58/1313268158.db2.gz DJILLZPGZQMTNP-HNNXBMFYSA-N 1 3 348.874 2.613 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)C1CCC1 ZINC001201067125 1296547856 /nfs/dbraw/zinc/54/78/56/1296547856.db2.gz XGSUQXPKJWQFPE-TWGQIWQCSA-N 1 3 341.499 2.765 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]CCCc3ccccc3)CC2)CCC1 ZINC001201043972 1296559324 /nfs/dbraw/zinc/55/93/24/1296559324.db2.gz LTFHXJUEGLHEAU-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)C1CC1 ZINC001201053415 1296565300 /nfs/dbraw/zinc/56/53/00/1296565300.db2.gz ONXOCDHTETXZOB-ZGBFETHSSA-N 1 3 341.499 2.621 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)C1CC1 ZINC001201053343 1296565367 /nfs/dbraw/zinc/56/53/67/1296565367.db2.gz ONXOCDHTETXZOB-NSDNCLLMSA-N 1 3 341.499 2.621 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)C1CC1 ZINC001201053345 1296565732 /nfs/dbraw/zinc/56/57/32/1296565732.db2.gz ONXOCDHTETXZOB-QKWWCAPFSA-N 1 3 341.499 2.621 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222068 1313274705 /nfs/dbraw/zinc/27/47/05/1313274705.db2.gz MLNHAWNXEUFWHC-QGZVFWFLSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222068 1313274709 /nfs/dbraw/zinc/27/47/09/1313274709.db2.gz MLNHAWNXEUFWHC-QGZVFWFLSA-N 1 3 340.471 2.631 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001276071750 1296590289 /nfs/dbraw/zinc/59/02/89/1296590289.db2.gz SYUYZDFKFUIOIQ-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001201149902 1296590586 /nfs/dbraw/zinc/59/05/86/1296590586.db2.gz OLVQYUUDAZRZKR-FQEVSTJZSA-N 1 3 345.531 2.786 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3cc4cccc(F)c4[nH]3)CC2)CC1 ZINC001235252132 1313275261 /nfs/dbraw/zinc/27/52/61/1313275261.db2.gz OJGVPIIVCCJRLP-UHFFFAOYSA-N 1 3 344.478 2.766 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)C1 ZINC000960220167 1296596621 /nfs/dbraw/zinc/59/66/21/1296596621.db2.gz VAFHZTLNCXFDHA-SJORKVTESA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNCc2ccccc2Cl)C1 ZINC000960220167 1296596631 /nfs/dbraw/zinc/59/66/31/1296596631.db2.gz VAFHZTLNCXFDHA-SJORKVTESA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222528 1313276037 /nfs/dbraw/zinc/27/60/37/1313276037.db2.gz VRFYTOJRSNCLRU-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222528 1313276041 /nfs/dbraw/zinc/27/60/41/1313276041.db2.gz VRFYTOJRSNCLRU-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CCc1ccc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)nc1 ZINC001276092845 1296605451 /nfs/dbraw/zinc/60/54/51/1296605451.db2.gz ROBHIGRSGMTUIG-NRFANRHFSA-N 1 3 344.547 2.884 20 0 EFADHO CCc1ccc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)nc1 ZINC001276092845 1296605458 /nfs/dbraw/zinc/60/54/58/1296605458.db2.gz ROBHIGRSGMTUIG-NRFANRHFSA-N 1 3 344.547 2.884 20 0 EFADHO CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049766649 1313277243 /nfs/dbraw/zinc/27/72/43/1313277243.db2.gz MIMCFSSVUJPNFC-BZSNNMDCSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C[C@H]2CCN2CCCCCF)C1 ZINC001235263951 1313278212 /nfs/dbraw/zinc/27/82/12/1313278212.db2.gz YMMQPLKXGFRTDZ-ZWKOTPCHSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C[C@H]2CCN2CCCCCF)C1 ZINC001235263951 1313278216 /nfs/dbraw/zinc/27/82/16/1313278216.db2.gz YMMQPLKXGFRTDZ-ZWKOTPCHSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768173 1313278453 /nfs/dbraw/zinc/27/84/53/1313278453.db2.gz UJYGWLXZCFRVPW-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768173 1313278457 /nfs/dbraw/zinc/27/84/57/1313278457.db2.gz UJYGWLXZCFRVPW-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccncc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276198018 1296646447 /nfs/dbraw/zinc/64/64/47/1296646447.db2.gz SWVDGRVMEXXHDH-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1ccncc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276198018 1296646462 /nfs/dbraw/zinc/64/64/62/1296646462.db2.gz SWVDGRVMEXXHDH-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1CCC ZINC000960272386 1296682758 /nfs/dbraw/zinc/68/27/58/1296682758.db2.gz ASNYLFPUIHOWSW-CEXWTWQISA-N 1 3 329.488 2.643 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC000960272367 1296682892 /nfs/dbraw/zinc/68/28/92/1296682892.db2.gz AOBLPVHBPWYVQQ-HSALFYBXSA-N 1 3 341.499 2.643 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]C(C)C ZINC000960273990 1296685571 /nfs/dbraw/zinc/68/55/71/1296685571.db2.gz XLDQCIIPSPFXIP-CEXWTWQISA-N 1 3 329.488 2.641 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001205457769 1313293068 /nfs/dbraw/zinc/29/30/68/1313293068.db2.gz OYMWJTABDMFSFO-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC2CCCC2)CC1)C1CC1 ZINC001205462185 1313293449 /nfs/dbraw/zinc/29/34/49/1313293449.db2.gz UUVQLIZYIRZMKR-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCC2CC2)C1 ZINC000960303258 1296720035 /nfs/dbraw/zinc/72/00/35/1296720035.db2.gz FKOIVJRBEVMZNO-QFIXIFRTSA-N 1 3 341.499 2.500 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CCC2CC2)C1 ZINC000960303257 1296720572 /nfs/dbraw/zinc/72/05/72/1296720572.db2.gz FKOIVJRBEVMZNO-NYSBEXSLSA-N 1 3 341.499 2.500 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH2+]CC2CCC2)C1 ZINC000960305249 1296721647 /nfs/dbraw/zinc/72/16/47/1296721647.db2.gz WRVJIUAWQMEJEJ-QFIXIFRTSA-N 1 3 341.499 2.500 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CCc2ccc(C)cc2)CC1 ZINC001201321418 1296725794 /nfs/dbraw/zinc/72/57/94/1296725794.db2.gz KDLWARBFOVVHHW-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000960310911 1296726165 /nfs/dbraw/zinc/72/61/65/1296726165.db2.gz OXVSOYZLHOLYSV-ATZDWAIDSA-N 1 3 329.488 2.643 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001201327121 1296731073 /nfs/dbraw/zinc/73/10/73/1296731073.db2.gz GTVIEMGLTNWXRQ-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001205490412 1313298390 /nfs/dbraw/zinc/29/83/90/1313298390.db2.gz DUOCOVAZQMNMLA-FQEVSTJZSA-N 1 3 345.531 2.644 20 0 EFADHO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CCCN1CCCCC1 ZINC000924579025 1296775011 /nfs/dbraw/zinc/77/50/11/1296775011.db2.gz UCBNQEPEKPSBJH-HNAYVOBHSA-N 1 3 335.467 2.857 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001205518789 1313303938 /nfs/dbraw/zinc/30/39/38/1313303938.db2.gz KRSPZNMIJBQWIJ-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1c[nH]c(=O)c(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1 ZINC001235384501 1313307173 /nfs/dbraw/zinc/30/71/73/1313307173.db2.gz RKSLIYSJNYBKOX-PZJWPPBQSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)c1 ZINC001235384501 1313307176 /nfs/dbraw/zinc/30/71/76/1313307176.db2.gz RKSLIYSJNYBKOX-PZJWPPBQSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@H]3C2)c1 ZINC001235384501 1313307178 /nfs/dbraw/zinc/30/71/78/1313307178.db2.gz RKSLIYSJNYBKOX-PZJWPPBQSA-N 1 3 337.467 2.849 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)C1(Cl)CC1 ZINC000925439776 1296838293 /nfs/dbraw/zinc/83/82/93/1296838293.db2.gz VXYNARSCWMSMSO-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO Clc1ccc(CN2CCC(N[C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925515555 1296846455 /nfs/dbraw/zinc/84/64/55/1296846455.db2.gz UISIPDSLZIENIY-TYIJSKFUSA-N 1 3 345.918 2.890 20 0 EFADHO CCOc1ccc(C2(CN[C@H]3CCC[NH2+][C@@H]3C)CCOCC2)cc1 ZINC000925555909 1296851894 /nfs/dbraw/zinc/85/18/94/1296851894.db2.gz DOQVMYSIRUGORC-APWZRJJASA-N 1 3 332.488 2.864 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233845 1314461030 /nfs/dbraw/zinc/46/10/30/1314461030.db2.gz QAVBMFCWLDTBSE-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925574861 1296858673 /nfs/dbraw/zinc/85/86/73/1296858673.db2.gz FNCVOCYLQUGSJZ-JQFCIGGWSA-N 1 3 335.879 2.787 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235407772 1313314695 /nfs/dbraw/zinc/31/46/95/1313314695.db2.gz TYOBBEOUQQHYEW-CCKFTAQKSA-N 1 3 334.435 2.617 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001235407772 1313314698 /nfs/dbraw/zinc/31/46/98/1313314698.db2.gz TYOBBEOUQQHYEW-CCKFTAQKSA-N 1 3 334.435 2.617 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H](C)c1cccc(Br)n1 ZINC000926149494 1296904958 /nfs/dbraw/zinc/90/49/58/1296904958.db2.gz BQPYRSUMYADFLV-ZDUSSCGKSA-N 1 3 344.297 2.853 20 0 EFADHO COC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426616 1313319017 /nfs/dbraw/zinc/31/90/17/1313319017.db2.gz MADRKZVSTKQWSP-HOTGVXAUSA-N 1 3 334.435 2.824 20 0 EFADHO COc1ccc(Cn2cc(CN3CCC[C@](F)(C[NH3+])CC3)cn2)cc1 ZINC001205592285 1313319504 /nfs/dbraw/zinc/31/95/04/1313319504.db2.gz RQERZJXOEMDPHZ-LJQANCHMSA-N 1 3 346.450 2.593 20 0 EFADHO COc1nc(OC)c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235431210 1313319875 /nfs/dbraw/zinc/31/98/75/1313319875.db2.gz MTJBFYMFRCKSDY-JKSUJKDBSA-N 1 3 333.476 2.619 20 0 EFADHO C[C@@H]1CCN(Cc2cccc(Br)c2N)CC[C@H]1C[NH3+] ZINC001205638420 1313327944 /nfs/dbraw/zinc/32/79/44/1313327944.db2.gz NULPJVHVLBIXNI-NEPJUHHUSA-N 1 3 326.282 2.838 20 0 EFADHO CCOc1ccc2ccccc2c1CN1CCCC[C@](O)(C[NH3+])C1 ZINC001205673768 1313335169 /nfs/dbraw/zinc/33/51/69/1313335169.db2.gz UBNFPDWHAITBAS-FQEVSTJZSA-N 1 3 328.456 2.914 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1ccccc1F ZINC001205653248 1313330997 /nfs/dbraw/zinc/33/09/97/1313330997.db2.gz KJUGFWUDXGLCDG-UHOSZYNNSA-N 1 3 349.494 2.850 20 0 EFADHO [NH3+]C[C@]1(O)CCCCN(CCCc2ccccc2C(F)(F)F)C1 ZINC001205664467 1313333399 /nfs/dbraw/zinc/33/33/99/1313333399.db2.gz NHFADUUHPOCTRM-MRXNPFEDSA-N 1 3 330.394 2.814 20 0 EFADHO CN(Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684458 1313337811 /nfs/dbraw/zinc/33/78/11/1313337811.db2.gz MUGQKVPGKAQXJA-MRXNPFEDSA-N 1 3 331.416 2.523 20 0 EFADHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684458 1313337814 /nfs/dbraw/zinc/33/78/14/1313337814.db2.gz MUGQKVPGKAQXJA-MRXNPFEDSA-N 1 3 331.416 2.523 20 0 EFADHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684458 1313337817 /nfs/dbraw/zinc/33/78/17/1313337817.db2.gz MUGQKVPGKAQXJA-MRXNPFEDSA-N 1 3 331.416 2.523 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477081 1297063552 /nfs/dbraw/zinc/06/35/52/1297063552.db2.gz GIPOIYSYPUEQTP-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477081 1297063566 /nfs/dbraw/zinc/06/35/66/1297063566.db2.gz GIPOIYSYPUEQTP-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477127 1297064959 /nfs/dbraw/zinc/06/49/59/1297064959.db2.gz GYPPNVFOENWZQG-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477127 1297064973 /nfs/dbraw/zinc/06/49/73/1297064973.db2.gz GYPPNVFOENWZQG-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960476965 1297065361 /nfs/dbraw/zinc/06/53/61/1297065361.db2.gz FLGVYPGZSLIQCL-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960476965 1297065374 /nfs/dbraw/zinc/06/53/74/1297065374.db2.gz FLGVYPGZSLIQCL-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512273 1313340257 /nfs/dbraw/zinc/34/02/57/1313340257.db2.gz IPVQIQXPWWYGJO-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512273 1313340260 /nfs/dbraw/zinc/34/02/60/1313340260.db2.gz IPVQIQXPWWYGJO-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960486135 1297089047 /nfs/dbraw/zinc/08/90/47/1297089047.db2.gz HPFZQXVCYSZFCU-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960486135 1297089061 /nfs/dbraw/zinc/08/90/61/1297089061.db2.gz HPFZQXVCYSZFCU-OALUTQOASA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC000960488183 1297096112 /nfs/dbraw/zinc/09/61/12/1297096112.db2.gz PXGXHMYOMFVTGS-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1F ZINC000960488183 1297096128 /nfs/dbraw/zinc/09/61/28/1297096128.db2.gz PXGXHMYOMFVTGS-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC000960490285 1297099770 /nfs/dbraw/zinc/09/97/70/1297099770.db2.gz WUBLZRKWMCVFNC-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC000960490285 1297099786 /nfs/dbraw/zinc/09/97/86/1297099786.db2.gz WUBLZRKWMCVFNC-QZTJIDSGSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC000960490299 1297100738 /nfs/dbraw/zinc/10/07/38/1297100738.db2.gz WUBLZRKWMCVFNC-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC000960490299 1297100742 /nfs/dbraw/zinc/10/07/42/1297100742.db2.gz WUBLZRKWMCVFNC-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@H](NCC=C(Cl)Cl)C12CCC2 ZINC001203325242 1297116025 /nfs/dbraw/zinc/11/60/25/1297116025.db2.gz KUFRVQPXKZLPBO-QWHCGFSZSA-N 1 3 348.318 2.664 20 0 EFADHO Cc1cnc(-c2ccccc2)c(CN2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205734302 1313347465 /nfs/dbraw/zinc/34/74/65/1313347465.db2.gz DEQHJGZYGQYTHE-FQEVSTJZSA-N 1 3 325.456 2.733 20 0 EFADHO CC[C@@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001273923591 1297217754 /nfs/dbraw/zinc/21/77/54/1297217754.db2.gz TWLAHLRIUSOKLU-MRXNPFEDSA-N 1 3 329.488 2.727 20 0 EFADHO Cc1ccnc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1Cl ZINC001235597081 1313357252 /nfs/dbraw/zinc/35/72/52/1313357252.db2.gz ZLDIYXKOADJHOO-UHFFFAOYSA-N 1 3 336.911 2.503 20 0 EFADHO Cc1ccc(C[C@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903892128 1313362619 /nfs/dbraw/zinc/36/26/19/1313362619.db2.gz QJDBNMUGRQFRSY-MOPGFXCFSA-N 1 3 339.487 2.718 20 0 EFADHO Cc1ccc(C[C@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903892137 1313362830 /nfs/dbraw/zinc/36/28/30/1313362830.db2.gz QJDBNMUGRQFRSY-RTBURBONSA-N 1 3 339.487 2.718 20 0 EFADHO Cc1ccccc1C[C@@H]1CCCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903892813 1313364026 /nfs/dbraw/zinc/36/40/26/1313364026.db2.gz WXUCSNPEOMNBOU-OALUTQOASA-N 1 3 339.487 2.718 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000930601100 1297276875 /nfs/dbraw/zinc/27/68/75/1297276875.db2.gz DTMINRHFWONXPZ-VQIMIIECSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@]2(C1)CCC[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC000930601100 1297276885 /nfs/dbraw/zinc/27/68/85/1297276885.db2.gz DTMINRHFWONXPZ-VQIMIIECSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)C1 ZINC001049841064 1313373068 /nfs/dbraw/zinc/37/30/68/1313373068.db2.gz QHKDJTPSFUQJJZ-NXHRZFHOSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]3[C@@H]2CCN3Cc2ccsc2)C1 ZINC001049841064 1313373073 /nfs/dbraw/zinc/37/30/73/1313373073.db2.gz QHKDJTPSFUQJJZ-NXHRZFHOSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)C1 ZINC001049841056 1313373107 /nfs/dbraw/zinc/37/31/07/1313373107.db2.gz QHKDJTPSFUQJJZ-BPQIPLTHSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]3[C@H]2CCN3Cc2ccsc2)C1 ZINC001049841056 1313373111 /nfs/dbraw/zinc/37/31/11/1313373111.db2.gz QHKDJTPSFUQJJZ-BPQIPLTHSA-N 1 3 347.528 2.655 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001202358919 1297350383 /nfs/dbraw/zinc/35/03/83/1297350383.db2.gz HUGABJHFCJVDOV-NHHWLVAYSA-N 1 3 343.515 2.867 20 0 EFADHO C[N@H+](CC1CCC1)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC000960645574 1297359156 /nfs/dbraw/zinc/35/91/56/1297359156.db2.gz XZJDXWDWANQKLJ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCC1)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC000960645574 1297359168 /nfs/dbraw/zinc/35/91/68/1297359168.db2.gz XZJDXWDWANQKLJ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO COc1cccc(O[C@@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)c1 ZINC001235687971 1313375830 /nfs/dbraw/zinc/37/58/30/1313375830.db2.gz LBWIYZROKNHYEK-HXUWFJFHSA-N 1 3 341.455 2.643 20 0 EFADHO Clc1ccc(CN2CCN(CCC3C[NH2+]C3)CC2)c(Cl)c1 ZINC001235692058 1313377136 /nfs/dbraw/zinc/37/71/36/1313377136.db2.gz TYYGIDROFYTRSM-UHFFFAOYSA-N 1 3 328.287 2.721 20 0 EFADHO CCCCCCN1CCN(Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001235692248 1313377204 /nfs/dbraw/zinc/37/72/04/1313377204.db2.gz RGJVJWGKPFNVKF-UHFFFAOYSA-N 1 3 344.547 2.794 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC000960667349 1297394659 /nfs/dbraw/zinc/39/46/59/1297394659.db2.gz HOKGUGGVSOOMHE-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CCC1 ZINC000960667349 1297394671 /nfs/dbraw/zinc/39/46/71/1297394671.db2.gz HOKGUGGVSOOMHE-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(C)cc([C@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903902483 1313382338 /nfs/dbraw/zinc/38/23/38/1313382338.db2.gz HOCQPRFXRAUBRS-HKUYNNGSSA-N 1 3 339.487 2.809 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000960676761 1297411343 /nfs/dbraw/zinc/41/13/43/1297411343.db2.gz DVENFVLEHLVMLV-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000960676761 1297411349 /nfs/dbraw/zinc/41/13/49/1297411349.db2.gz DVENFVLEHLVMLV-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2=CCCCC2)CCC1 ZINC000960679597 1297414136 /nfs/dbraw/zinc/41/41/36/1297414136.db2.gz JFWPFBPMZFBSRN-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2=CCCCC2)CCC1 ZINC000960679597 1297414142 /nfs/dbraw/zinc/41/41/42/1297414142.db2.gz JFWPFBPMZFBSRN-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235725756 1313384607 /nfs/dbraw/zinc/38/46/07/1313384607.db2.gz UJUHAYVVBHKTLZ-SHCNBLLESA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683491 1297417553 /nfs/dbraw/zinc/41/75/53/1297417553.db2.gz RHKRXYLMHKMCCP-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683491 1297417555 /nfs/dbraw/zinc/41/75/55/1297417555.db2.gz RHKRXYLMHKMCCP-QZTJIDSGSA-N 1 3 335.536 2.686 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)cs1 ZINC000960683500 1297417717 /nfs/dbraw/zinc/41/77/17/1297417717.db2.gz RKKWONIQVIIJAY-ROUUACIJSA-N 1 3 349.544 2.820 20 0 EFADHO COc1ccc2[nH]nc(CN3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235701399 1313380318 /nfs/dbraw/zinc/38/03/18/1313380318.db2.gz HWUVULNXAIOUCD-UHFFFAOYSA-N 1 3 328.460 2.783 20 0 EFADHO COc1ccc2n[nH]c(CN3CCC(C4CC[NH2+]CC4)CC3)c2c1 ZINC001235701399 1313380321 /nfs/dbraw/zinc/38/03/21/1313380321.db2.gz HWUVULNXAIOUCD-UHFFFAOYSA-N 1 3 328.460 2.783 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960708699 1297451024 /nfs/dbraw/zinc/45/10/24/1297451024.db2.gz KAPHCFHPKJZELI-PKOBYXMFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC000960708699 1297451029 /nfs/dbraw/zinc/45/10/29/1297451029.db2.gz KAPHCFHPKJZELI-PKOBYXMFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960715557 1297466674 /nfs/dbraw/zinc/46/66/74/1297466674.db2.gz CQDLGJUAZRTDRD-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC000960715557 1297466680 /nfs/dbraw/zinc/46/66/80/1297466680.db2.gz CQDLGJUAZRTDRD-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960717172 1297469624 /nfs/dbraw/zinc/46/96/24/1297469624.db2.gz LIBFDXLXYWCAKI-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C)cc1)N(C)C ZINC000960717172 1297469630 /nfs/dbraw/zinc/46/96/30/1297469630.db2.gz LIBFDXLXYWCAKI-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960719667 1297470384 /nfs/dbraw/zinc/47/03/84/1297470384.db2.gz SBFZTIPVSGCUCE-RTBURBONSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960719667 1297470386 /nfs/dbraw/zinc/47/03/86/1297470386.db2.gz SBFZTIPVSGCUCE-RTBURBONSA-N 1 3 349.494 2.919 20 0 EFADHO C[C@@H]1CN(Cc2cc(O)ccc2Br)CCC[C@H]1C[NH3+] ZINC001205995951 1313388731 /nfs/dbraw/zinc/38/87/31/1313388731.db2.gz SFXZTBNZYVJTEG-NEPJUHHUSA-N 1 3 327.266 2.962 20 0 EFADHO Cc1cncc(Br)c1CN1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001206022390 1313392885 /nfs/dbraw/zinc/39/28/85/1313392885.db2.gz CCWGHPSUPPVDIN-OLZOCXBDSA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ncc(Br)cc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206035538 1313394978 /nfs/dbraw/zinc/39/49/78/1313394978.db2.gz CIRYLIWZWHWLPR-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235790903 1313396525 /nfs/dbraw/zinc/39/65/25/1313396525.db2.gz RXCCAHMMTTZFLN-KCXAZCMYSA-N 1 3 343.849 2.777 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235790906 1313396537 /nfs/dbraw/zinc/39/65/37/1313396537.db2.gz RXCCAHMMTTZFLN-UHOFOFEASA-N 1 3 343.849 2.777 20 0 EFADHO COC(=O)c1ccc(C2CCN(CC[C@H]3COC(C)(C)[NH2+]3)CC2)cc1 ZINC001235839896 1313407061 /nfs/dbraw/zinc/40/70/61/1313407061.db2.gz ZPBZNLJQKYHFFR-SFHVURJKSA-N 1 3 346.471 2.767 20 0 EFADHO Cc1ccc([C@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000903915763 1313408510 /nfs/dbraw/zinc/40/85/10/1313408510.db2.gz BWMALLFSOPWFTB-ROUUACIJSA-N 1 3 339.487 2.809 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)cs1 ZINC000960838864 1297658355 /nfs/dbraw/zinc/65/83/55/1297658355.db2.gz NBIIHDQSFSUWAZ-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)cs1 ZINC000960838863 1297658903 /nfs/dbraw/zinc/65/89/03/1297658903.db2.gz NBIIHDQSFSUWAZ-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001488656902 1297671239 /nfs/dbraw/zinc/67/12/39/1297671239.db2.gz TYLKDMZLHIPXSB-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C)cs1 ZINC000960859120 1297707495 /nfs/dbraw/zinc/70/74/95/1297707495.db2.gz BQKKISKCYIIJOL-MAUKXSAKSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)cs1 ZINC000960859120 1297707503 /nfs/dbraw/zinc/70/75/03/1297707503.db2.gz BQKKISKCYIIJOL-MAUKXSAKSA-N 1 3 349.544 2.964 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859215 1297709181 /nfs/dbraw/zinc/70/91/81/1297709181.db2.gz CCVZUEKITAJQCB-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859215 1297709190 /nfs/dbraw/zinc/70/91/90/1297709190.db2.gz CCVZUEKITAJQCB-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860085 1297711296 /nfs/dbraw/zinc/71/12/96/1297711296.db2.gz DVYSMDIKHRCORB-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000960860085 1297711304 /nfs/dbraw/zinc/71/13/04/1297711304.db2.gz DVYSMDIKHRCORB-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC000960861717 1297714025 /nfs/dbraw/zinc/71/40/25/1297714025.db2.gz HPOWTGABOHSTKX-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC000960861717 1297714035 /nfs/dbraw/zinc/71/40/35/1297714035.db2.gz HPOWTGABOHSTKX-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC000960862568 1297714976 /nfs/dbraw/zinc/71/49/76/1297714976.db2.gz JPPOUFOWKOWBHV-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC000960862568 1297714985 /nfs/dbraw/zinc/71/49/85/1297714985.db2.gz JPPOUFOWKOWBHV-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000960862510 1297716567 /nfs/dbraw/zinc/71/65/67/1297716567.db2.gz JMWLFVYSPICVFQ-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000960862510 1297716574 /nfs/dbraw/zinc/71/65/74/1297716574.db2.gz JMWLFVYSPICVFQ-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960864705 1297718819 /nfs/dbraw/zinc/71/88/19/1297718819.db2.gz VNNLVBCUVHKDQJ-RTBURBONSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960864705 1297718824 /nfs/dbraw/zinc/71/88/24/1297718824.db2.gz VNNLVBCUVHKDQJ-RTBURBONSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960865325 1297721827 /nfs/dbraw/zinc/72/18/27/1297721827.db2.gz PVRVZYRDRCYRSM-CRAIPNDOSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960865325 1297721837 /nfs/dbraw/zinc/72/18/37/1297721837.db2.gz PVRVZYRDRCYRSM-CRAIPNDOSA-N 1 3 327.488 2.530 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000960867356 1297724423 /nfs/dbraw/zinc/72/44/23/1297724423.db2.gz WEQBTDCOSGXYLA-HKUYNNGSSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960867356 1297724433 /nfs/dbraw/zinc/72/44/33/1297724433.db2.gz WEQBTDCOSGXYLA-HKUYNNGSSA-N 1 3 329.488 2.594 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960867022 1297724521 /nfs/dbraw/zinc/72/45/21/1297724521.db2.gz ULSUJAKZIFKIFE-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960867022 1297724531 /nfs/dbraw/zinc/72/45/31/1297724531.db2.gz ULSUJAKZIFKIFE-QFBILLFUSA-N 1 3 339.499 2.532 20 0 EFADHO c1cnn(Cc2ccccc2CNCc2cccc3c2CC[NH2+]C3)c1 ZINC000903926930 1313428512 /nfs/dbraw/zinc/42/85/12/1313428512.db2.gz VTSGEVQGBHMFJD-UHFFFAOYSA-N 1 3 332.451 2.867 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960903375 1297777088 /nfs/dbraw/zinc/77/70/88/1297777088.db2.gz CKGXVEWWEZUZNC-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960903375 1297777098 /nfs/dbraw/zinc/77/70/98/1297777098.db2.gz CKGXVEWWEZUZNC-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO Fc1c(CN2CCCCC2)cccc1-c1cc2c(nn1)CC[NH2+]C2 ZINC001236005940 1313430079 /nfs/dbraw/zinc/43/00/79/1313430079.db2.gz VERHYKSNCDTEIL-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO Fc1c(CN2CCCCC2)cccc1-c1ncc2c(n1)CC[NH2+]C2 ZINC001236002763 1313430241 /nfs/dbraw/zinc/43/02/41/1313430241.db2.gz LQBVIVGKWLRFCU-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCC2(CC2)CC1 ZINC000960909022 1297790570 /nfs/dbraw/zinc/79/05/70/1297790570.db2.gz JETOKYNGVJBTJU-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCC2(CC2)CC1 ZINC000960909022 1297790579 /nfs/dbraw/zinc/79/05/79/1297790579.db2.gz JETOKYNGVJBTJU-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO C[C@@H]1C[C@H](NCc2cccc3c2CC[NH2+]C3)C(=O)N1c1ccccc1 ZINC000903924681 1313426425 /nfs/dbraw/zinc/42/64/25/1313426425.db2.gz GXSAAHBZJBTUCS-QRWLVFNGSA-N 1 3 335.451 2.616 20 0 EFADHO CCOC(=O)[C@]12CN(Cc3ccccc3C(C)C)C[C@H]1C[NH2+]CC2 ZINC001236041363 1313433593 /nfs/dbraw/zinc/43/35/93/1313433593.db2.gz RLYJRMSJQFMQJB-YLJYHZDGSA-N 1 3 330.472 2.785 20 0 EFADHO CC(C)CC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206307239 1313433723 /nfs/dbraw/zinc/43/37/23/1313433723.db2.gz DHBAFOHJQXZZCS-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC000960937060 1297846893 /nfs/dbraw/zinc/84/68/93/1297846893.db2.gz FOGJYQZMOVQKSX-CTWPCTMYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC(C)CC2)C1 ZINC000960937060 1297846910 /nfs/dbraw/zinc/84/69/10/1297846910.db2.gz FOGJYQZMOVQKSX-CTWPCTMYSA-N 1 3 335.536 2.687 20 0 EFADHO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000903930040 1313434803 /nfs/dbraw/zinc/43/48/03/1313434803.db2.gz QRWCVBBWJGWZKU-HOJAQTOUSA-N 1 3 339.487 2.971 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CCCC2)CC1 ZINC000960938857 1297851982 /nfs/dbraw/zinc/85/19/82/1297851982.db2.gz HDTKRZFFZBLZLN-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCCC2)CC1 ZINC000960938857 1297851990 /nfs/dbraw/zinc/85/19/90/1297851990.db2.gz HDTKRZFFZBLZLN-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO [NH3+]C1CN([C@@H]2CCCN(CCc3ccc(Cl)cc3Cl)C2)C1 ZINC001236073742 1313437408 /nfs/dbraw/zinc/43/74/08/1313437408.db2.gz QGNPYLQYPWSXPP-OAHLLOKOSA-N 1 3 328.287 2.643 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610844 1313438406 /nfs/dbraw/zinc/43/84/06/1313438406.db2.gz JEBQEBHGHJNANA-GBESFXJTSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610844 1313438409 /nfs/dbraw/zinc/43/84/09/1313438409.db2.gz JEBQEBHGHJNANA-GBESFXJTSA-N 1 3 335.536 2.686 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC001236081053 1313439784 /nfs/dbraw/zinc/43/97/84/1313439784.db2.gz LPGKPRHQFCFCOH-UHFFFAOYSA-N 1 3 345.437 2.969 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc2c(c1)c1ccccc1n2C ZINC001236083867 1313440022 /nfs/dbraw/zinc/44/00/22/1313440022.db2.gz WVFJSNVTEKDJGM-UHFFFAOYSA-N 1 3 336.483 2.669 20 0 EFADHO COc1ccc(-c2ccc(CN(C)CCN3CC[NH2+]CC3)cc2)cc1 ZINC001236083484 1313440153 /nfs/dbraw/zinc/44/01/53/1313440153.db2.gz RUPWPBQFTXITNC-UHFFFAOYSA-N 1 3 339.483 2.699 20 0 EFADHO FC1(CN2CCN([C@H]3CCCc4ccccc43)CC2)CC[NH2+]CC1 ZINC001236093283 1313440398 /nfs/dbraw/zinc/44/03/98/1313440398.db2.gz UKDLNEJIUVLLTD-IBGZPJMESA-N 1 3 331.479 2.773 20 0 EFADHO CC1(C)CCC[C@@H]1[C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903932945 1313440688 /nfs/dbraw/zinc/44/06/88/1313440688.db2.gz XXZOSXQWCHNONE-LZLYRXPVSA-N 1 3 331.508 2.851 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017618724 1313441666 /nfs/dbraw/zinc/44/16/66/1313441666.db2.gz VFUGWFDWYQRSQU-RNUBBMKBSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017618724 1313441668 /nfs/dbraw/zinc/44/16/68/1313441668.db2.gz VFUGWFDWYQRSQU-RNUBBMKBSA-N 1 3 347.547 2.971 20 0 EFADHO Nc1ccc2c(c1)CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001236110091 1313442399 /nfs/dbraw/zinc/44/23/99/1313442399.db2.gz YGVMDWFBNRBLPS-UHFFFAOYSA-N 1 3 332.451 2.885 20 0 EFADHO Clc1ccc(CCN2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC001236130461 1313445524 /nfs/dbraw/zinc/44/55/24/1313445524.db2.gz UPQIFQSGPKGZIT-UHFFFAOYSA-N 1 3 342.314 2.906 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948246644 1297954033 /nfs/dbraw/zinc/95/40/33/1297954033.db2.gz ZHDQOWVUXJORDI-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948246644 1297954043 /nfs/dbraw/zinc/95/40/43/1297954043.db2.gz ZHDQOWVUXJORDI-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000948246643 1297954927 /nfs/dbraw/zinc/95/49/27/1297954927.db2.gz ZHDQOWVUXJORDI-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000948246643 1297954941 /nfs/dbraw/zinc/95/49/41/1297954941.db2.gz ZHDQOWVUXJORDI-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO c1nc2n(c1CN1CCC[C@H]1c1c[nH]c3ccccc31)CC[NH2+]CC2 ZINC001236192677 1313454163 /nfs/dbraw/zinc/45/41/63/1313454163.db2.gz PFIXVQYZCNOAHO-IBGZPJMESA-N 1 3 335.455 2.847 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC000961027870 1298024917 /nfs/dbraw/zinc/02/49/17/1298024917.db2.gz LIDPCVDZOBXLJU-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC000961027870 1298024922 /nfs/dbraw/zinc/02/49/22/1298024922.db2.gz LIDPCVDZOBXLJU-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027415 1298025301 /nfs/dbraw/zinc/02/53/01/1298025301.db2.gz JOOIWEYTKCNZQC-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027415 1298025307 /nfs/dbraw/zinc/02/53/07/1298025307.db2.gz JOOIWEYTKCNZQC-FQEVSTJZSA-N 1 3 343.515 2.768 20 0 EFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1F ZINC000961027406 1298025559 /nfs/dbraw/zinc/02/55/59/1298025559.db2.gz IVUYCEZNLPOLQU-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1F ZINC000961027406 1298025571 /nfs/dbraw/zinc/02/55/71/1298025571.db2.gz IVUYCEZNLPOLQU-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028741 1298028685 /nfs/dbraw/zinc/02/86/85/1298028685.db2.gz NYALFBGKMOMCQH-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028741 1298028696 /nfs/dbraw/zinc/02/86/96/1298028696.db2.gz NYALFBGKMOMCQH-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC000961028982 1298028897 /nfs/dbraw/zinc/02/88/97/1298028897.db2.gz OZNKGIIEKPHSNY-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c(C)c1 ZINC000961028982 1298028900 /nfs/dbraw/zinc/02/89/00/1298028900.db2.gz OZNKGIIEKPHSNY-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000961032941 1298039003 /nfs/dbraw/zinc/03/90/03/1298039003.db2.gz XCZDZVGANYDVPQ-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC000961032941 1298039008 /nfs/dbraw/zinc/03/90/08/1298039008.db2.gz XCZDZVGANYDVPQ-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c(C)s1 ZINC000961036087 1298045321 /nfs/dbraw/zinc/04/53/21/1298045321.db2.gz QLRQEGWSIXTHKS-GOSISDBHSA-N 1 3 349.544 2.884 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c(C)s1 ZINC000961036087 1298045324 /nfs/dbraw/zinc/04/53/24/1298045324.db2.gz QLRQEGWSIXTHKS-GOSISDBHSA-N 1 3 349.544 2.884 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017657378 1313459231 /nfs/dbraw/zinc/45/92/31/1313459231.db2.gz CTMKNCSSPFNAFS-YRXWBPOGSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017657378 1313459234 /nfs/dbraw/zinc/45/92/34/1313459234.db2.gz CTMKNCSSPFNAFS-YRXWBPOGSA-N 1 3 333.520 2.725 20 0 EFADHO c1c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)onc1OCc1ccccc1 ZINC001236321620 1313468976 /nfs/dbraw/zinc/46/89/76/1313468976.db2.gz JTYJRUDUFXSUBO-CALCHBBNSA-N 1 3 327.428 2.685 20 0 EFADHO Oc1cc(Br)cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236322381 1313469075 /nfs/dbraw/zinc/46/90/75/1313469075.db2.gz UNYPUGUYKGXWMN-BETUJISGSA-N 1 3 325.250 2.586 20 0 EFADHO CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909336 1313470014 /nfs/dbraw/zinc/47/00/14/1313470014.db2.gz ABDVGLWLLOUTGV-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909336 1313470017 /nfs/dbraw/zinc/47/00/17/1313470017.db2.gz ABDVGLWLLOUTGV-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@]1(C[NH3+])CCCCN(Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001206548759 1313474371 /nfs/dbraw/zinc/47/43/71/1313474371.db2.gz IMPKUUVYWSSJES-HXUWFJFHSA-N 1 3 329.488 2.874 20 0 EFADHO Nc1cccnc1CN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236381819 1313474510 /nfs/dbraw/zinc/47/45/10/1313474510.db2.gz NDCUIIJTYPKIEZ-UHFFFAOYSA-N 1 3 328.435 2.805 20 0 EFADHO C(c1nc2c(s1)CNCC2)N(C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375194 1313475012 /nfs/dbraw/zinc/47/50/12/1313475012.db2.gz JEKGLMWQCRKETF-AWEZNQCLSA-N 1 3 334.533 2.533 20 0 EFADHO COC(=O)c1ccc2[nH]cc(CN3CCCC[C@](C)(C[NH3+])C3)c2c1 ZINC001206556876 1313475516 /nfs/dbraw/zinc/47/55/16/1313475516.db2.gz YYUZFHZANRVHOK-LJQANCHMSA-N 1 3 329.444 2.905 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2cccc(-c3ccccc3)c2C)CC[C@@H]1N ZINC001236416178 1313477652 /nfs/dbraw/zinc/47/76/52/1313477652.db2.gz RUWRMIAVZSFNCJ-PMACEKPBSA-N 1 3 338.451 2.984 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2cccc(-c3ccccc3)c2C)CC[C@@H]1N ZINC001236416178 1313477654 /nfs/dbraw/zinc/47/76/54/1313477654.db2.gz RUWRMIAVZSFNCJ-PMACEKPBSA-N 1 3 338.451 2.984 20 0 EFADHO C[C@@H]([C@H](OCCCN1CCN(C)CC1)c1ccccc1)[NH+]1CCCC1 ZINC001206583650 1313479087 /nfs/dbraw/zinc/47/90/87/1313479087.db2.gz YZKOUVYPJDQEFA-FPOVZHCZSA-N 1 3 345.531 2.866 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160303 1298229495 /nfs/dbraw/zinc/22/94/95/1298229495.db2.gz WIEUHALOWYRXBE-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000961160303 1298229501 /nfs/dbraw/zinc/22/95/01/1298229501.db2.gz WIEUHALOWYRXBE-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(c1ccccc1)[C@@H]1CCN(Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001236434696 1313480888 /nfs/dbraw/zinc/48/08/88/1313480888.db2.gz UQDFDIPZMSSJFE-HXUWFJFHSA-N 1 3 349.478 2.801 20 0 EFADHO O=C(c1ccccc1)[C@@H]1CCN(Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001236434621 1313480979 /nfs/dbraw/zinc/48/09/79/1313480979.db2.gz STUKBWXVAVWWGL-HXUWFJFHSA-N 1 3 349.478 2.801 20 0 EFADHO CC(C)(C)C[N@H+](Cc1ccc(-n2nccn2)cc1)C1CCNCC1 ZINC001236459421 1313483025 /nfs/dbraw/zinc/48/30/25/1313483025.db2.gz NORIVSUFKNTEHS-UHFFFAOYSA-N 1 3 327.476 2.867 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1ccc(-n2nccn2)cc1)C1CCNCC1 ZINC001236459421 1313483027 /nfs/dbraw/zinc/48/30/27/1313483027.db2.gz NORIVSUFKNTEHS-UHFFFAOYSA-N 1 3 327.476 2.867 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181179 1298258635 /nfs/dbraw/zinc/25/86/35/1298258635.db2.gz IUNQMLWKGRBGMA-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC000961181179 1298258644 /nfs/dbraw/zinc/25/86/44/1298258644.db2.gz IUNQMLWKGRBGMA-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001206621917 1313485063 /nfs/dbraw/zinc/48/50/63/1313485063.db2.gz LFSRBIPRPGLHAF-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188646 1298274498 /nfs/dbraw/zinc/27/44/98/1298274498.db2.gz WDMWBSALRDZWIL-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188646 1298274508 /nfs/dbraw/zinc/27/45/08/1298274508.db2.gz WDMWBSALRDZWIL-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001206641864 1313487235 /nfs/dbraw/zinc/48/72/35/1313487235.db2.gz GXEPWBLAUJPPKW-DHZHZOJOSA-N 1 3 343.515 2.870 20 0 EFADHO Nc1cccc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)n1 ZINC001276491162 1313487447 /nfs/dbraw/zinc/48/74/47/1313487447.db2.gz BYMRLYXHCYIUHC-UHFFFAOYSA-N 1 3 342.409 2.904 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236584466 1313493873 /nfs/dbraw/zinc/49/38/73/1313493873.db2.gz FHELGNKNWJWLPA-OAHLLOKOSA-N 1 3 325.497 2.755 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096597334 1313495831 /nfs/dbraw/zinc/49/58/31/1313495831.db2.gz GFIVFGLWELKIRR-QYZOEREBSA-N 1 3 329.488 2.739 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096597334 1313495833 /nfs/dbraw/zinc/49/58/33/1313495833.db2.gz GFIVFGLWELKIRR-QYZOEREBSA-N 1 3 329.488 2.739 20 0 EFADHO CCC[N@H+](CCCN(C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727612 1313498800 /nfs/dbraw/zinc/49/88/00/1313498800.db2.gz JCTOSZHUADZWFT-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO CCC[N@@H+](CCCN(C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727612 1313498802 /nfs/dbraw/zinc/49/88/02/1313498802.db2.gz JCTOSZHUADZWFT-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO CCCN(CCC[NH+](C)C)Cc1ccc(CN2CCOCC2)cc1 ZINC001206727612 1313498805 /nfs/dbraw/zinc/49/88/05/1313498805.db2.gz JCTOSZHUADZWFT-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO Fc1ccc(OC2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)nc1 ZINC001236620252 1313499066 /nfs/dbraw/zinc/49/90/66/1313499066.db2.gz AXZZJBZKCLJTJR-UHFFFAOYSA-N 1 3 341.430 2.910 20 0 EFADHO COc1ccc(O[C@H]2CCCN(Cc3ccc(C[NH3+])cc3)C2)nc1 ZINC001236621292 1313499386 /nfs/dbraw/zinc/49/93/86/1313499386.db2.gz IFHXEZXGBPHXNP-SFHVURJKSA-N 1 3 327.428 2.592 20 0 EFADHO CC(C)(C)OC(=O)NCCN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001206749832 1313502316 /nfs/dbraw/zinc/50/23/16/1313502316.db2.gz PJDIJYFHLYAIOB-UHFFFAOYSA-N 1 3 333.476 2.504 20 0 EFADHO Cc1cccc(O[C@H]2CCN(Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC001236662902 1313505000 /nfs/dbraw/zinc/50/50/00/1313505000.db2.gz HEYKFLLCMFDOHK-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO O[C@]1(C(F)(F)F)CCCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001206811500 1313515094 /nfs/dbraw/zinc/51/50/94/1313515094.db2.gz VMJVBWDVZKDHFE-MRXNPFEDSA-N 1 3 328.378 2.612 20 0 EFADHO Cc1ccnc(CN2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001206852422 1313524347 /nfs/dbraw/zinc/52/43/47/1313524347.db2.gz PGDDCXUGWMJCRS-UHFFFAOYSA-N 1 3 339.487 2.631 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339651 1298579028 /nfs/dbraw/zinc/57/90/28/1298579028.db2.gz ISFUBKOENHGAJL-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339651 1298579036 /nfs/dbraw/zinc/57/90/36/1298579036.db2.gz ISFUBKOENHGAJL-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961343340 1298582906 /nfs/dbraw/zinc/58/29/06/1298582906.db2.gz VYCWOLWHBUMXNF-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961343340 1298582917 /nfs/dbraw/zinc/58/29/17/1298582917.db2.gz VYCWOLWHBUMXNF-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961373498 1298638720 /nfs/dbraw/zinc/63/87/20/1298638720.db2.gz HKMOXRGGSIMMHA-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC000961373498 1298638731 /nfs/dbraw/zinc/63/87/31/1298638731.db2.gz HKMOXRGGSIMMHA-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961377590 1298649326 /nfs/dbraw/zinc/64/93/26/1298649326.db2.gz XQKKTWPTYAEBIY-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961377590 1298649333 /nfs/dbraw/zinc/64/93/33/1298649333.db2.gz XQKKTWPTYAEBIY-RBUKOAKNSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410240 1298704731 /nfs/dbraw/zinc/70/47/31/1298704731.db2.gz FSOWJBQEWPBJFQ-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410240 1298704740 /nfs/dbraw/zinc/70/47/40/1298704740.db2.gz FSOWJBQEWPBJFQ-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000961410790 1298706046 /nfs/dbraw/zinc/70/60/46/1298706046.db2.gz IVENEPAUTIMEEI-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000961410790 1298706055 /nfs/dbraw/zinc/70/60/55/1298706055.db2.gz IVENEPAUTIMEEI-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415079 1298714477 /nfs/dbraw/zinc/71/44/77/1298714477.db2.gz LQJDIPKVTSQMIM-SFHVURJKSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415079 1298714483 /nfs/dbraw/zinc/71/44/83/1298714483.db2.gz LQJDIPKVTSQMIM-SFHVURJKSA-N 1 3 344.503 2.869 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001206890431 1313541255 /nfs/dbraw/zinc/54/12/55/1313541255.db2.gz RHIXHKAXVHFURC-KRWDZBQOSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961456894 1298764374 /nfs/dbraw/zinc/76/43/74/1298764374.db2.gz HTZBUCBNLCOVRM-YSHGAJCASA-N 1 3 341.499 2.668 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961456894 1298764382 /nfs/dbraw/zinc/76/43/82/1298764382.db2.gz HTZBUCBNLCOVRM-YSHGAJCASA-N 1 3 341.499 2.668 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001206928573 1313557309 /nfs/dbraw/zinc/55/73/09/1313557309.db2.gz AKWVDMFCCLBVOE-RMKNXTFCSA-N 1 3 341.499 2.624 20 0 EFADHO c1nc2n(c1CN1CCC[C@@H](CCc3ccccc3)C1)CC[NH2+]CC2 ZINC001236950255 1313560031 /nfs/dbraw/zinc/56/00/31/1313560031.db2.gz KJNZPOGMZNZXQO-IBGZPJMESA-N 1 3 338.499 2.874 20 0 EFADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951220 1313568522 /nfs/dbraw/zinc/56/85/22/1313568522.db2.gz FHPFGMBKJHWCEX-INIZCTEOSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001206953437 1313569504 /nfs/dbraw/zinc/56/95/04/1313569504.db2.gz KEOUHWTUZBXYNE-UHFFFAOYSA-N 1 3 349.494 2.825 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CCCCCF)CC1 ZINC001206952604 1313569741 /nfs/dbraw/zinc/56/97/41/1313569741.db2.gz WNGGFYSCXIFVFO-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001206954557 1313570199 /nfs/dbraw/zinc/57/01/99/1313570199.db2.gz MZJNGKQBMJCPEJ-HXUWFJFHSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222291 1299032690 /nfs/dbraw/zinc/03/26/90/1299032690.db2.gz QLRZKOYAROEVLI-SJORKVTESA-N 1 3 340.471 2.884 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222291 1299032698 /nfs/dbraw/zinc/03/26/98/1299032698.db2.gz QLRZKOYAROEVLI-SJORKVTESA-N 1 3 340.471 2.884 20 0 EFADHO Cc1ncsc1CN1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001206988932 1313583093 /nfs/dbraw/zinc/58/30/93/1313583093.db2.gz UXJARURAJQZTFV-UHFFFAOYSA-N 1 3 345.516 2.692 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001490666862 1299064718 /nfs/dbraw/zinc/06/47/18/1299064718.db2.gz AGNFXFJAPWJNPR-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000961776081 1299110012 /nfs/dbraw/zinc/11/00/12/1299110012.db2.gz VWTKAMDAIDWMAJ-LBKNJMOBSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000961776081 1299110020 /nfs/dbraw/zinc/11/00/20/1299110020.db2.gz VWTKAMDAIDWMAJ-LBKNJMOBSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC4CCC(C)(C)CC4)C[C@H]32)C1 ZINC000961793130 1299116379 /nfs/dbraw/zinc/11/63/79/1299116379.db2.gz YTTBCBZHISNHMM-WOGUSJMUSA-N 1 3 347.547 2.591 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCC(C)(C)CC4)C[C@H]32)C1 ZINC000961793130 1299116392 /nfs/dbraw/zinc/11/63/92/1299116392.db2.gz YTTBCBZHISNHMM-WOGUSJMUSA-N 1 3 347.547 2.591 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC000961828307 1299144276 /nfs/dbraw/zinc/14/42/76/1299144276.db2.gz ICRICMXBNBDITP-SOAGJPPSSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2=CCCCC2)C1 ZINC000961828313 1299144411 /nfs/dbraw/zinc/14/44/11/1299144411.db2.gz IFMBPRWUOSAKNC-CTWPCTMYSA-N 1 3 333.520 2.844 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000961830317 1299144885 /nfs/dbraw/zinc/14/48/85/1299144885.db2.gz WBDJNBYJPWBPOC-ACBHZAAOSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000961830155 1299145710 /nfs/dbraw/zinc/14/57/10/1299145710.db2.gz SWPYQCBBLNNJTD-NKELODKYSA-N 1 3 347.547 2.924 20 0 EFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4ncc(Br)cc4c3)C[C@@H]2C1 ZINC001237171046 1313597946 /nfs/dbraw/zinc/59/79/46/1313597946.db2.gz NCRCVSUHPAJAHE-GASCZTMLSA-N 1 3 346.272 2.991 20 0 EFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4ncc(Br)cc4c3)C[C@@H]2C1 ZINC001237171046 1313597947 /nfs/dbraw/zinc/59/79/47/1313597947.db2.gz NCRCVSUHPAJAHE-GASCZTMLSA-N 1 3 346.272 2.991 20 0 EFADHO CN(C/C=C\Cl)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490774550 1299233590 /nfs/dbraw/zinc/23/35/90/1299233590.db2.gz IYYBBDCWSPQNST-RLXIPRIJSA-N 1 3 341.927 2.641 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001207068685 1313605130 /nfs/dbraw/zinc/60/51/30/1313605130.db2.gz BKSBTKRCRVJJSY-UHFFFAOYSA-N 1 3 327.428 2.868 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)[nH]1 ZINC001207068685 1313605134 /nfs/dbraw/zinc/60/51/34/1313605134.db2.gz BKSBTKRCRVJJSY-UHFFFAOYSA-N 1 3 327.428 2.868 20 0 EFADHO CC1(C)OC[C@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040674 1299521165 /nfs/dbraw/zinc/52/11/65/1299521165.db2.gz NLSUXXQIOLSVOA-AZUAARDMSA-N 1 3 330.472 2.736 20 0 EFADHO CC1(C)OC[C@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)O1 ZINC000852040674 1299521173 /nfs/dbraw/zinc/52/11/73/1299521173.db2.gz NLSUXXQIOLSVOA-AZUAARDMSA-N 1 3 330.472 2.736 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000962274307 1299537572 /nfs/dbraw/zinc/53/75/72/1299537572.db2.gz SIDPBGAPQMKWNT-ZSYWTGECSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000962274307 1299537578 /nfs/dbraw/zinc/53/75/78/1299537578.db2.gz SIDPBGAPQMKWNT-ZSYWTGECSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000962308132 1299570622 /nfs/dbraw/zinc/57/06/22/1299570622.db2.gz ZQYKFODYDGYFIL-KKXNLOMOSA-N 1 3 343.515 2.772 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC000962309672 1299571418 /nfs/dbraw/zinc/57/14/18/1299571418.db2.gz PYQFXJDAVMPMPK-VXESANQCSA-N 1 3 343.515 2.575 20 0 EFADHO C[NH+](C)CCN1CCN(C[C@H]2C[C@@H]2c2ccc(Cl)cc2)CCC1=O ZINC001207191692 1313634055 /nfs/dbraw/zinc/63/40/55/1313634055.db2.gz NCDKBLUXZSGUDO-SJLPKXTDSA-N 1 3 349.906 2.539 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2scc(C)c2Cl)CCC12C[NH2+]C2 ZINC001237432536 1313643230 /nfs/dbraw/zinc/64/32/30/1313643230.db2.gz YTUXAMMBKWWSRF-GFCCVEGCSA-N 1 3 342.892 2.685 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(F)c(C3CC3)c2)CCC12C[NH2+]C2 ZINC001237437232 1313644387 /nfs/dbraw/zinc/64/43/87/1313644387.db2.gz UCJFPEULAFBRLN-KRWDZBQOSA-N 1 3 346.446 2.678 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018025630 1313647450 /nfs/dbraw/zinc/64/74/50/1313647450.db2.gz HKHNHSOWDHISEW-YRXWBPOGSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018025630 1313647452 /nfs/dbraw/zinc/64/74/52/1313647452.db2.gz HKHNHSOWDHISEW-YRXWBPOGSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001018025630 1313647454 /nfs/dbraw/zinc/64/74/54/1313647454.db2.gz HKHNHSOWDHISEW-YRXWBPOGSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001018025630 1313647456 /nfs/dbraw/zinc/64/74/56/1313647456.db2.gz HKHNHSOWDHISEW-YRXWBPOGSA-N 1 3 335.536 2.971 20 0 EFADHO F[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[C@H]1N1CCCCC1 ZINC001237457636 1313648446 /nfs/dbraw/zinc/64/84/46/1313648446.db2.gz YIPGWUCVRGEVAS-VQTJNVASSA-N 1 3 331.479 2.731 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC001207278886 1313650186 /nfs/dbraw/zinc/65/01/86/1313650186.db2.gz FVZKGUGUKJOVAR-UHFFFAOYSA-N 1 3 327.513 2.811 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001207281866 1313650702 /nfs/dbraw/zinc/65/07/02/1313650702.db2.gz IRKLQJFCOMTLKK-FQEVSTJZSA-N 1 3 347.478 2.842 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001207281424 1313650865 /nfs/dbraw/zinc/65/08/65/1313650865.db2.gz CQUSIFAIEVIVJY-UHFFFAOYSA-N 1 3 333.451 2.699 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000962597276 1299854184 /nfs/dbraw/zinc/85/41/84/1299854184.db2.gz GMLMMUDENRZXHI-UHFFFAOYSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@H](C)c2ccccc2C)C1 ZINC000962598501 1299855318 /nfs/dbraw/zinc/85/53/18/1299855318.db2.gz PRCNMMWEYYJQGJ-ODIFPOPNSA-N 1 3 340.471 2.815 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018025629 1313647139 /nfs/dbraw/zinc/64/71/39/1313647139.db2.gz HKHNHSOWDHISEW-OKYOBFRVSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018025629 1313647142 /nfs/dbraw/zinc/64/71/42/1313647142.db2.gz HKHNHSOWDHISEW-OKYOBFRVSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001018025629 1313647145 /nfs/dbraw/zinc/64/71/45/1313647145.db2.gz HKHNHSOWDHISEW-OKYOBFRVSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1C(C)C ZINC001018025629 1313647148 /nfs/dbraw/zinc/64/71/48/1313647148.db2.gz HKHNHSOWDHISEW-OKYOBFRVSA-N 1 3 335.536 2.971 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207310203 1313657140 /nfs/dbraw/zinc/65/71/40/1313657140.db2.gz FEQUWJCLBFQAIU-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001207310203 1313657143 /nfs/dbraw/zinc/65/71/43/1313657143.db2.gz FEQUWJCLBFQAIU-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001207284132 1313652676 /nfs/dbraw/zinc/65/26/76/1313652676.db2.gz JTTCENFILBOIJT-UHFFFAOYSA-N 1 3 331.504 2.811 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962807388 1300084370 /nfs/dbraw/zinc/08/43/70/1300084370.db2.gz FFETWYNWMLTTQP-CTWPCTMYSA-N 1 3 335.536 2.926 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1 ZINC000962808700 1300086352 /nfs/dbraw/zinc/08/63/52/1300086352.db2.gz NOHJDJGKZZYWON-LYBXBRPPSA-N 1 3 343.515 2.854 20 0 EFADHO COc1cc(N2CCN(CC3CC[NH+](C)CC3)CC2)ccc1Cl ZINC001207399888 1313676090 /nfs/dbraw/zinc/67/60/90/1313676090.db2.gz YGACNSGXRHJDMK-UHFFFAOYSA-N 1 3 337.895 2.812 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001207391685 1313673731 /nfs/dbraw/zinc/67/37/31/1313673731.db2.gz LXMKUXWALPCLQQ-UHFFFAOYSA-N 1 3 342.409 2.564 20 0 EFADHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)NCC(F)F)CC2)CC1 ZINC001278124561 1313680448 /nfs/dbraw/zinc/68/04/48/1313680448.db2.gz GVKLIHPLNWZOHU-CQSZACIVSA-N 1 3 345.478 2.590 20 0 EFADHO COC[C@@H]1CN(CC2CC[NH2+]CC2)Cc2cn(CC3CCCC3)nc21 ZINC001207435683 1313683550 /nfs/dbraw/zinc/68/35/50/1313683550.db2.gz KJZCYDUSJOQKTK-IBGZPJMESA-N 1 3 346.519 2.619 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CCc2cccs2)CC1 ZINC000963157627 1300379391 /nfs/dbraw/zinc/37/93/91/1300379391.db2.gz PMFFGYCEAAMBQV-LEOMRAHMSA-N 1 3 349.544 2.744 20 0 EFADHO C[N@@H+]1CCCC2(CCN(CCOc3cccc4c3OCCO4)CC2)C1 ZINC001278135781 1313696332 /nfs/dbraw/zinc/69/63/32/1313696332.db2.gz VEPLKHLAVYMJLG-UHFFFAOYSA-N 1 3 346.471 2.644 20 0 EFADHO C[N@H+]1CCCC2(CCN(CCOc3cccc4c3OCCO4)CC2)C1 ZINC001278135781 1313696335 /nfs/dbraw/zinc/69/63/35/1313696335.db2.gz VEPLKHLAVYMJLG-UHFFFAOYSA-N 1 3 346.471 2.644 20 0 EFADHO CO[C@@H](CN1CCN(CCC2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC001207487797 1313699164 /nfs/dbraw/zinc/69/91/64/1313699164.db2.gz RZUSQPYRSNMPDI-NRFANRHFSA-N 1 3 345.531 2.724 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC3CC3)C2)CCC1 ZINC000963313308 1300573601 /nfs/dbraw/zinc/57/36/01/1300573601.db2.gz FXPGRXCUGDTLSG-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CC3CC3)C2)CCC1 ZINC000963313308 1300573605 /nfs/dbraw/zinc/57/36/05/1300573605.db2.gz FXPGRXCUGDTLSG-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)CCC1 ZINC000963313307 1300574799 /nfs/dbraw/zinc/57/47/99/1300574799.db2.gz FXPGRXCUGDTLSG-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CC3CC3)C2)CCC1 ZINC000963313307 1300574805 /nfs/dbraw/zinc/57/48/05/1300574805.db2.gz FXPGRXCUGDTLSG-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314418 1300577909 /nfs/dbraw/zinc/57/79/09/1300577909.db2.gz KYRQMSGAPICDJA-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963314418 1300577918 /nfs/dbraw/zinc/57/79/18/1300577918.db2.gz KYRQMSGAPICDJA-PKOBYXMFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CCCF)C2)CCC1 ZINC000963315201 1300580848 /nfs/dbraw/zinc/58/08/48/1300580848.db2.gz RIQUTTRCKDDXQU-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@@H]3CCC[N@H+]3CCCF)C2)CCC1 ZINC000963315201 1300580858 /nfs/dbraw/zinc/58/08/58/1300580858.db2.gz RIQUTTRCKDDXQU-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315438 1300581135 /nfs/dbraw/zinc/58/11/35/1300581135.db2.gz SQJVQJADRNRPPG-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315438 1300581144 /nfs/dbraw/zinc/58/11/44/1300581144.db2.gz SQJVQJADRNRPPG-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1)C1CCC1 ZINC000963315752 1300582380 /nfs/dbraw/zinc/58/23/80/1300582380.db2.gz XRYICEVROLAGDI-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1)C1CCC1 ZINC000963315752 1300582387 /nfs/dbraw/zinc/58/23/87/1300582387.db2.gz XRYICEVROLAGDI-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CC2)C1)C1CCC1 ZINC000963315754 1300582644 /nfs/dbraw/zinc/58/26/44/1300582644.db2.gz XRYICEVROLAGDI-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1)C1CCC1 ZINC000963315754 1300582647 /nfs/dbraw/zinc/58/26/47/1300582647.db2.gz XRYICEVROLAGDI-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001207553375 1313714824 /nfs/dbraw/zinc/71/48/24/1313714824.db2.gz FRVFWNFGGIZOTO-NXOUGTEYSA-N 1 3 349.544 2.642 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001207553375 1313714826 /nfs/dbraw/zinc/71/48/26/1313714826.db2.gz FRVFWNFGGIZOTO-NXOUGTEYSA-N 1 3 349.544 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1=CCCCC1)N(C)C ZINC001110693981 1300743897 /nfs/dbraw/zinc/74/38/97/1300743897.db2.gz XSBGLGPVPUOENT-YRXWBPOGSA-N 1 3 333.520 2.795 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1)N(C)C ZINC001110693981 1300743902 /nfs/dbraw/zinc/74/39/02/1300743902.db2.gz XSBGLGPVPUOENT-YRXWBPOGSA-N 1 3 333.520 2.795 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998197 1300839082 /nfs/dbraw/zinc/83/90/82/1300839082.db2.gz ROGCSFJMKKIKJD-BZUAXINKSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245998197 1300839093 /nfs/dbraw/zinc/83/90/93/1300839093.db2.gz ROGCSFJMKKIKJD-BZUAXINKSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CCC[C@@H](C(=O)N(C)C)C3)cc21 ZINC001237880093 1313725488 /nfs/dbraw/zinc/72/54/88/1313725488.db2.gz FFLVVFWMDSIHQE-GOSISDBHSA-N 1 3 341.499 2.988 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)C)C3)cc21 ZINC001237880093 1313725489 /nfs/dbraw/zinc/72/54/89/1313725489.db2.gz FFLVVFWMDSIHQE-GOSISDBHSA-N 1 3 341.499 2.988 20 0 EFADHO C[C@H](CCCC(C)(C)O)CCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001207678311 1313747486 /nfs/dbraw/zinc/74/74/86/1313747486.db2.gz JKRVGXCKSLBGFF-LJQANCHMSA-N 1 3 339.568 2.667 20 0 EFADHO CCOc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1C ZINC001238072988 1313755701 /nfs/dbraw/zinc/75/57/01/1313755701.db2.gz BEJJEZIYAHAGIM-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC(C)C1)C2 ZINC000963786028 1301314949 /nfs/dbraw/zinc/31/49/49/1301314949.db2.gz ADERDMDUNIGSIX-WLGSGIEKSA-N 1 3 347.547 2.922 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207757968 1313765627 /nfs/dbraw/zinc/76/56/27/1313765627.db2.gz PYZDWJLVNIPZHD-HZPDHXFCSA-N 1 3 325.541 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C)C[C@H]1C ZINC001207757968 1313765631 /nfs/dbraw/zinc/76/56/31/1313765631.db2.gz PYZDWJLVNIPZHD-HZPDHXFCSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC000963912009 1301466043 /nfs/dbraw/zinc/46/60/43/1301466043.db2.gz CJRCKALXFNITCB-QHGAOEGBSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000963912389 1301467536 /nfs/dbraw/zinc/46/75/36/1301467536.db2.gz KWWNSLFPFIJYQL-FAEJEUNOSA-N 1 3 349.544 2.949 20 0 EFADHO CCC[NH+]1C[C@H]2CN(CCC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001207772130 1313769367 /nfs/dbraw/zinc/76/93/67/1313769367.db2.gz BKAALQBTIAGQBP-IRXDYDNUSA-N 1 3 337.508 2.517 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000964015750 1301598740 /nfs/dbraw/zinc/59/87/40/1301598740.db2.gz ZGYLGBUMFKCASC-OFLPRAFFSA-N 1 3 327.488 2.578 20 0 EFADHO CN(CCC[NH+](C)C)CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207809386 1313779679 /nfs/dbraw/zinc/77/96/79/1313779679.db2.gz WAJYUWIOBPEYIB-UHFFFAOYSA-N 1 3 327.513 2.907 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859864 1313790724 /nfs/dbraw/zinc/79/07/24/1313790724.db2.gz YVWPMDIENLGOIJ-OSFIAYCASA-N 1 3 333.520 2.798 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC001207859864 1313790728 /nfs/dbraw/zinc/79/07/28/1313790728.db2.gz YVWPMDIENLGOIJ-OSFIAYCASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+]1CCCC1 ZINC001018310953 1313805973 /nfs/dbraw/zinc/80/59/73/1313805973.db2.gz UUWZHCVACVFGFW-ZCFHBRKKSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208014257 1313825016 /nfs/dbraw/zinc/82/50/16/1313825016.db2.gz OGPBWBMBGNEFKQ-KGLIPLIRSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208014257 1313825020 /nfs/dbraw/zinc/82/50/20/1313825020.db2.gz OGPBWBMBGNEFKQ-KGLIPLIRSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([NH2+]CCC(F)(F)F)C1)N1CCCCC1 ZINC001208050076 1313834792 /nfs/dbraw/zinc/83/47/92/1313834792.db2.gz UUHJZIBDGINJEF-AWEZNQCLSA-N 1 3 349.441 2.784 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000862481975 1302394601 /nfs/dbraw/zinc/39/46/01/1302394601.db2.gz BYEOCPDAORWUBE-GJYPPUQNSA-N 1 3 337.508 2.565 20 0 EFADHO CCOc1ccccc1N1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208106386 1313848087 /nfs/dbraw/zinc/84/80/87/1313848087.db2.gz DUPIBNLNYHLOFI-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CCOC[C@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC)nc21 ZINC001208107997 1313848767 /nfs/dbraw/zinc/84/87/67/1313848767.db2.gz ZCHQSDGITHLWGC-QGZVFWFLSA-N 1 3 334.508 2.571 20 0 EFADHO COC(=O)c1ccc2c(CN3CCC4(CC[N@H+](C)C4)CC3)c[nH]c2c1 ZINC001276558463 1313855161 /nfs/dbraw/zinc/85/51/61/1313855161.db2.gz JLGFNEDNYCRHPA-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO COC(=O)c1ccc2c(CN3CCC4(CC[N@@H+](C)C4)CC3)c[nH]c2c1 ZINC001276558463 1313855165 /nfs/dbraw/zinc/85/51/65/1313855165.db2.gz JLGFNEDNYCRHPA-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CCCC1 ZINC001208184830 1313863756 /nfs/dbraw/zinc/86/37/56/1313863756.db2.gz GTZKXIGBVHJWDM-BGYRXZFFSA-N 1 3 342.531 2.567 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)CCCC1 ZINC001208184830 1313863758 /nfs/dbraw/zinc/86/37/58/1313863758.db2.gz GTZKXIGBVHJWDM-BGYRXZFFSA-N 1 3 342.531 2.567 20 0 EFADHO Cc1cc(O[C@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)ncn1 ZINC001208188057 1313865196 /nfs/dbraw/zinc/86/51/96/1313865196.db2.gz FXZLSOMVMDVOHZ-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cc(O[C@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)ncn1 ZINC001208188057 1313865198 /nfs/dbraw/zinc/86/51/98/1313865198.db2.gz FXZLSOMVMDVOHZ-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cncnc1O[C@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188565 1313865406 /nfs/dbraw/zinc/86/54/06/1313865406.db2.gz JTGLLVWWKUFTQA-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cncnc1O[C@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188565 1313865410 /nfs/dbraw/zinc/86/54/10/1313865410.db2.gz JTGLLVWWKUFTQA-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO COc1cccnc1O[C@@H]1CC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208189806 1313865494 /nfs/dbraw/zinc/86/54/94/1313865494.db2.gz YTJICYKKQJYPAW-MRXNPFEDSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cccnc1O[C@@H]1CC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208189806 1313865497 /nfs/dbraw/zinc/86/54/97/1313865497.db2.gz YTJICYKKQJYPAW-MRXNPFEDSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cccc(O[C@@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187804 1313865558 /nfs/dbraw/zinc/86/55/58/1313865558.db2.gz AHBJWRMCERYQPH-MRXNPFEDSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cccc(O[C@@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208187804 1313865562 /nfs/dbraw/zinc/86/55/62/1313865562.db2.gz AHBJWRMCERYQPH-MRXNPFEDSA-N 1 3 333.476 2.665 20 0 EFADHO CN(C)CC1(C[NH+]2CCC(Oc3ncc(F)cn3)CC2)CCCC1 ZINC001208188674 1313865771 /nfs/dbraw/zinc/86/57/71/1313865771.db2.gz MUFBBKIOMWUKQR-UHFFFAOYSA-N 1 3 336.455 2.581 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]Cc2ccsc2)C3)C1 ZINC000965063716 1302785023 /nfs/dbraw/zinc/78/50/23/1302785023.db2.gz LNMZWFKQSJFCTP-SZVPOOPASA-N 1 3 347.528 2.607 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2=CCCCC2)C3)C1 ZINC000965065005 1302789120 /nfs/dbraw/zinc/78/91/20/1302789120.db2.gz SUUMIURQLUCTRE-GICSWVMSSA-N 1 3 345.531 2.846 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001208261830 1313884013 /nfs/dbraw/zinc/88/40/13/1313884013.db2.gz SNVWJSPALMQTAW-CVEARBPZSA-N 1 3 341.496 2.509 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)C1CCC1 ZINC001208341336 1313904372 /nfs/dbraw/zinc/90/43/72/1313904372.db2.gz ZDECSPSESPDFAS-LJQANCHMSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]C/C=C\c3ccccc3)C2)CCC1 ZINC001208328769 1313900382 /nfs/dbraw/zinc/90/03/82/1313900382.db2.gz HUMFGMMAFRFISS-LFIXQJEJSA-N 1 3 341.499 2.765 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1)C1CC1 ZINC001208335746 1313903041 /nfs/dbraw/zinc/90/30/41/1313903041.db2.gz ZYBVPJOJUWEZPB-VZDLESTCSA-N 1 3 341.499 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1)C1CCC1 ZINC001208340181 1313904608 /nfs/dbraw/zinc/90/46/08/1313904608.db2.gz KDASPACOMLOYBX-AWEZNQCLSA-N 1 3 349.441 2.784 20 0 EFADHO Cc1ccc(CN2CC[C@H]([NH2+]Cc3ncc(CN(C)C)s3)C2)cc1 ZINC000865749291 1303384878 /nfs/dbraw/zinc/38/48/78/1303384878.db2.gz CIKREVOBHUWSFO-KRWDZBQOSA-N 1 3 344.528 2.877 20 0 EFADHO CCC[NH2+]C1CC2(CC(NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000965933285 1303466953 /nfs/dbraw/zinc/46/69/53/1303466953.db2.gz XIHMHAZICFMTPM-UHFFFAOYSA-N 1 3 329.488 2.789 20 0 EFADHO CC(C)c1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239213658 1313914394 /nfs/dbraw/zinc/91/43/94/1313914394.db2.gz DHJNWQRLVPXWEH-KRWDZBQOSA-N 1 3 330.476 2.806 20 0 EFADHO Cc1cccc(Cl)c1NC(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239214113 1313914402 /nfs/dbraw/zinc/91/44/02/1313914402.db2.gz GAFWAWBGHMCAOB-CYBMUJFWSA-N 1 3 336.867 2.644 20 0 EFADHO CC(C)c1ccc(NC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001239307981 1313923719 /nfs/dbraw/zinc/92/37/19/1313923719.db2.gz MLGAIVDTNCIBCD-GOSISDBHSA-N 1 3 332.492 2.958 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001208414784 1313924363 /nfs/dbraw/zinc/92/43/63/1313924363.db2.gz XTYVQFDJPYOSPX-VQTJNVASSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cc(C)c(NC(=S)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c(C)c1 ZINC001239362257 1313929767 /nfs/dbraw/zinc/92/97/67/1313929767.db2.gz JCVGFYHTXFCTCS-MRXNPFEDSA-N 1 3 346.544 2.772 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001208454580 1313932987 /nfs/dbraw/zinc/93/29/87/1313932987.db2.gz YIUKSTCBBHASMA-SFHVURJKSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001208453812 1313933058 /nfs/dbraw/zinc/93/30/58/1313933058.db2.gz OTYFMLGLIVQUPW-LJQANCHMSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001208454574 1313933210 /nfs/dbraw/zinc/93/32/10/1313933210.db2.gz YFEKETBXFDWODJ-QGZVFWFLSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001208453800 1313933472 /nfs/dbraw/zinc/93/34/72/1313933472.db2.gz OPYIYHWZVVAIAJ-GOSISDBHSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001037856069 1303726666 /nfs/dbraw/zinc/72/66/66/1303726666.db2.gz XHYZRJWLONTHLC-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N(C)c1ccc(C)cc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000866666135 1303740306 /nfs/dbraw/zinc/74/03/06/1303740306.db2.gz OFHRKGMCCYPUEH-GOSISDBHSA-N 1 3 329.488 2.812 20 0 EFADHO CC[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]CC1CC1 ZINC001037858806 1303754154 /nfs/dbraw/zinc/75/41/54/1303754154.db2.gz YJNBGJZZMGAMGF-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001037863853 1303801830 /nfs/dbraw/zinc/80/18/30/1303801830.db2.gz YVSSKKVDEOGILU-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492348 1313943172 /nfs/dbraw/zinc/94/31/72/1313943172.db2.gz KEDZBRNGCCEMBQ-VQIMIIECSA-N 1 3 331.504 2.698 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C)N(C)C ZINC001208530287 1313953733 /nfs/dbraw/zinc/95/37/33/1313953733.db2.gz NXQUNPQVXSKXEW-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C)N(C)C ZINC001208530287 1313953735 /nfs/dbraw/zinc/95/37/35/1313953735.db2.gz NXQUNPQVXSKXEW-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000867987171 1304061502 /nfs/dbraw/zinc/06/15/02/1304061502.db2.gz HYPKEBZYIZZPIM-LPLWCWNFSA-N 1 3 327.472 2.965 20 0 EFADHO CC1(C)[C@@H](N)c2ccccc2N1C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000867988863 1304062373 /nfs/dbraw/zinc/06/23/73/1304062373.db2.gz WFWFAADMMQDELL-RXVVDRJESA-N 1 3 335.451 2.743 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412284 1304150570 /nfs/dbraw/zinc/15/05/70/1304150570.db2.gz UVWCKFWGDRXDHP-ZXFPDNNPSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114412284 1304150573 /nfs/dbraw/zinc/15/05/73/1304150573.db2.gz UVWCKFWGDRXDHP-ZXFPDNNPSA-N 1 3 341.499 2.587 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC001051356868 1313965180 /nfs/dbraw/zinc/96/51/80/1313965180.db2.gz WOHUMIHVJLIWNV-RLLQIKCJSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1C)N(CC)CC ZINC001208574559 1313965250 /nfs/dbraw/zinc/96/52/50/1313965250.db2.gz ADLFZNAZKBCUPM-RLLQIKCJSA-N 1 3 345.531 2.786 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1C)N(CC)CC ZINC001208574559 1313965252 /nfs/dbraw/zinc/96/52/52/1313965252.db2.gz ADLFZNAZKBCUPM-RLLQIKCJSA-N 1 3 345.531 2.786 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)c1 ZINC001114413888 1304186040 /nfs/dbraw/zinc/18/60/40/1304186040.db2.gz IGOGOJZHAXYSNG-ZXFPDNNPSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)c1 ZINC001114413888 1304186045 /nfs/dbraw/zinc/18/60/45/1304186045.db2.gz IGOGOJZHAXYSNG-ZXFPDNNPSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276569376 1313966965 /nfs/dbraw/zinc/96/69/65/1313966965.db2.gz ARQXHHAGYKTNKQ-UHFFFAOYSA-N 1 3 327.476 2.843 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276569376 1313966967 /nfs/dbraw/zinc/96/69/67/1313966967.db2.gz ARQXHHAGYKTNKQ-UHFFFAOYSA-N 1 3 327.476 2.843 20 0 EFADHO CC[NH+]1CCC(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)CC1 ZINC001208599171 1313972594 /nfs/dbraw/zinc/97/25/94/1313972594.db2.gz ICAXNZJNVWEFQB-DLBZAZTESA-N 1 3 333.501 2.660 20 0 EFADHO CC[NH+]1CCC(CN2CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001208598884 1313972810 /nfs/dbraw/zinc/97/28/10/1313972810.db2.gz ZSCKNEIEXGWFJQ-CVEARBPZSA-N 1 3 343.487 2.655 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C[C@H]4CCCN(C)C4)C[C@@H]3C2)cc1 ZINC001208606266 1313976651 /nfs/dbraw/zinc/97/66/51/1313976651.db2.gz FAVNJHUFMKVEJV-PCCBWWKXSA-N 1 3 327.516 2.700 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C[C@H]4CCCN(C)C4)C[C@@H]3C2)cc1 ZINC001208606266 1313976653 /nfs/dbraw/zinc/97/66/53/1313976653.db2.gz FAVNJHUFMKVEJV-PCCBWWKXSA-N 1 3 327.516 2.700 20 0 EFADHO CN1CCC[C@H](C[NH+]2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208609185 1313978062 /nfs/dbraw/zinc/97/80/62/1313978062.db2.gz YTEHHADPICMNQU-INIZCTEOSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001208611483 1313979182 /nfs/dbraw/zinc/97/91/82/1313979182.db2.gz WDXUUMQWRFTSAM-OAHLLOKOSA-N 1 3 342.512 2.948 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCc3ncnc(-c4ccsc4)c3CC2)C1 ZINC001208611483 1313979185 /nfs/dbraw/zinc/97/91/85/1313979185.db2.gz WDXUUMQWRFTSAM-OAHLLOKOSA-N 1 3 342.512 2.948 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001208605240 1313975538 /nfs/dbraw/zinc/97/55/38/1313975538.db2.gz BAEVLVHJHOBVOB-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001208605240 1313975540 /nfs/dbraw/zinc/97/55/40/1313975540.db2.gz BAEVLVHJHOBVOB-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612890 1313980204 /nfs/dbraw/zinc/98/02/04/1313980204.db2.gz GOPBNJJLWCZSJF-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612890 1313980208 /nfs/dbraw/zinc/98/02/08/1313980208.db2.gz GOPBNJJLWCZSJF-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO Cc1ccc2nc(C3CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)nn2c1 ZINC001208614784 1313981328 /nfs/dbraw/zinc/98/13/28/1313981328.db2.gz VGFFSMNJFKBKPK-INIZCTEOSA-N 1 3 327.476 2.559 20 0 EFADHO Cc1ccc2nc(C3CCN(C[C@H]4CCC[N@H+](C)C4)CC3)nn2c1 ZINC001208614784 1313981330 /nfs/dbraw/zinc/98/13/30/1313981330.db2.gz VGFFSMNJFKBKPK-INIZCTEOSA-N 1 3 327.476 2.559 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001018634572 1313982427 /nfs/dbraw/zinc/98/24/27/1313982427.db2.gz LEWYIAFJRHETJI-RBUKOAKNSA-N 1 3 329.488 2.595 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208619177 1313982783 /nfs/dbraw/zinc/98/27/83/1313982783.db2.gz WGYOKJARFWILGE-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO CCN(C[C@@H]1CN(Cc2ccccc2)CCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208619177 1313982785 /nfs/dbraw/zinc/98/27/85/1313982785.db2.gz WGYOKJARFWILGE-NHCUHLMSSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001018635714 1313983012 /nfs/dbraw/zinc/98/30/12/1313983012.db2.gz RJAHWPFCEKUKIN-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001018637102 1313984023 /nfs/dbraw/zinc/98/40/23/1313984023.db2.gz XHQUDXQYGWNREJ-PMACEKPBSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211367620 1314486196 /nfs/dbraw/zinc/48/61/96/1314486196.db2.gz XTYUNDYTGBUHLR-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211367620 1314486199 /nfs/dbraw/zinc/48/61/99/1314486199.db2.gz XTYUNDYTGBUHLR-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCCC3CCC3)CC2)C1 ZINC001202526774 1304529947 /nfs/dbraw/zinc/52/99/47/1304529947.db2.gz OTHRPMTVFRMSER-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+](C)CCOCc1ncn2c1CN(CCC1CCCC1)CCC2 ZINC001208695664 1313996976 /nfs/dbraw/zinc/99/69/76/1313996976.db2.gz ZWRCBVVHQNBIJF-UHFFFAOYSA-N 1 3 334.508 2.747 20 0 EFADHO C[C@H]1CCN(CC2=CCCCC2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000967206751 1304749541 /nfs/dbraw/zinc/74/95/41/1304749541.db2.gz OFTOYEDMNFCNOW-PKOBYXMFSA-N 1 3 345.531 2.942 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967210193 1304750835 /nfs/dbraw/zinc/75/08/35/1304750835.db2.gz VWFNFDLEALFHIP-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967210193 1304750840 /nfs/dbraw/zinc/75/08/40/1304750840.db2.gz VWFNFDLEALFHIP-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@H](F)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750092 1314008452 /nfs/dbraw/zinc/00/84/52/1314008452.db2.gz YGGTTWHPXMDMLX-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770216 1314011860 /nfs/dbraw/zinc/01/18/60/1314011860.db2.gz QIVBMYJTETZANS-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO CN1CCN(Cc2cccc(-c3ccc([C@H]4CCC[NH2+]4)cn3)c2)CC1 ZINC001240283222 1314014302 /nfs/dbraw/zinc/01/43/02/1314014302.db2.gz IBTVTZVRSDFUKY-HXUWFJFHSA-N 1 3 336.483 2.921 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037930765 1304863314 /nfs/dbraw/zinc/86/33/14/1304863314.db2.gz YYENOJCVPIMVFD-ROUUACIJSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1csc(C)c1 ZINC001037931581 1304879501 /nfs/dbraw/zinc/87/95/01/1304879501.db2.gz FUSZNKWTWDUEDX-RDJZCZTQSA-N 1 3 346.500 2.739 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001037934668 1304918881 /nfs/dbraw/zinc/91/88/81/1304918881.db2.gz OMETYBNORCGPGL-AEFFLSMTSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000967423686 1304976344 /nfs/dbraw/zinc/97/63/44/1304976344.db2.gz ICTXREZEODYNJU-VQIMIIECSA-N 1 3 349.494 2.591 20 0 EFADHO C[C@H]1CN(c2ccc(C3=CCCN(Cc4ccccc4)C3)nn2)CC[NH2+]1 ZINC001240386032 1314026564 /nfs/dbraw/zinc/02/65/64/1314026564.db2.gz WWKHYMLHOGUXAI-KRWDZBQOSA-N 1 3 349.482 2.564 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N1CCCC1 ZINC001211377287 1314488338 /nfs/dbraw/zinc/48/83/38/1314488338.db2.gz VXQICRUOHYALGW-KZNAEPCWSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N1CCCC1 ZINC001211377287 1314488341 /nfs/dbraw/zinc/48/83/41/1314488341.db2.gz VXQICRUOHYALGW-KZNAEPCWSA-N 1 3 341.515 2.683 20 0 EFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ncccc1O ZINC001276591420 1314033780 /nfs/dbraw/zinc/03/37/80/1314033780.db2.gz MXBIVUANHOTDLP-GOOCMWNKSA-N 1 3 344.484 2.837 20 0 EFADHO CCOC(=O)c1ccc(CCC[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001208867901 1314034136 /nfs/dbraw/zinc/03/41/36/1314034136.db2.gz TXKCBJZLHXUZBS-UHFFFAOYSA-N 1 3 330.472 2.824 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC001208867688 1314034332 /nfs/dbraw/zinc/03/43/32/1314034332.db2.gz QIHNVHAHDALKDN-FQEVSTJZSA-N 1 3 330.472 2.824 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001208867688 1314034336 /nfs/dbraw/zinc/03/43/36/1314034336.db2.gz QIHNVHAHDALKDN-FQEVSTJZSA-N 1 3 330.472 2.824 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000870259618 1305229350 /nfs/dbraw/zinc/22/93/50/1305229350.db2.gz URQSXAGNTJGZTG-IBGZPJMESA-N 1 3 339.499 2.676 20 0 EFADHO CCC(=O)C(C)(C)CN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001208915232 1314045159 /nfs/dbraw/zinc/04/51/59/1314045159.db2.gz GZAZTCMHTWGVRZ-PXNSSMCTSA-N 1 3 336.520 2.672 20 0 EFADHO CCC(=O)C(C)(C)CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001208915232 1314045161 /nfs/dbraw/zinc/04/51/61/1314045161.db2.gz GZAZTCMHTWGVRZ-PXNSSMCTSA-N 1 3 336.520 2.672 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208946794 1314055574 /nfs/dbraw/zinc/05/55/74/1314055574.db2.gz WVGPKTMNSFKCRA-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(Cc4ccccc4)C3)C[C@H]21 ZINC001208946794 1314055577 /nfs/dbraw/zinc/05/55/77/1314055577.db2.gz WVGPKTMNSFKCRA-NJDAHSKKSA-N 1 3 327.516 2.925 20 0 EFADHO CCNC(=O)OC1CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208955385 1314058035 /nfs/dbraw/zinc/05/80/35/1314058035.db2.gz DTNSFTPLJGOKOH-GOSISDBHSA-N 1 3 345.487 2.719 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208965293 1314059781 /nfs/dbraw/zinc/05/97/81/1314059781.db2.gz YFQBQIOZUIVTNX-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208965293 1314059785 /nfs/dbraw/zinc/05/97/85/1314059785.db2.gz YFQBQIOZUIVTNX-OALUTQOASA-N 1 3 330.472 2.784 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2cccc(C)c2)CC1)N(C)C ZINC001202531545 1305510586 /nfs/dbraw/zinc/51/05/86/1305510586.db2.gz JFIPTRDGPFDSTL-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CN1C(=O)CCC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208964920 1314060141 /nfs/dbraw/zinc/06/01/41/1314060141.db2.gz SWFGROADOCMWRB-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1C(=O)CCC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208964920 1314060142 /nfs/dbraw/zinc/06/01/42/1314060142.db2.gz SWFGROADOCMWRB-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CCF ZINC001037985368 1305563590 /nfs/dbraw/zinc/56/35/90/1305563590.db2.gz VLGWKYMFGLKVNX-AEFFLSMTSA-N 1 3 335.467 2.548 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001276608049 1314069386 /nfs/dbraw/zinc/06/93/86/1314069386.db2.gz OFNCRAXWRFUZCT-ZWKOTPCHSA-N 1 3 335.536 2.900 20 0 EFADHO CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1CC ZINC001037981742 1305581928 /nfs/dbraw/zinc/58/19/28/1305581928.db2.gz GXEYJLAOLAZKEM-PKOBYXMFSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]C(C)C ZINC001037982378 1305585729 /nfs/dbraw/zinc/58/57/29/1305585729.db2.gz KDBBMFLQGODLHF-MJGOQNOKSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[N@@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001276608049 1314069388 /nfs/dbraw/zinc/06/93/88/1314069388.db2.gz OFNCRAXWRFUZCT-ZWKOTPCHSA-N 1 3 335.536 2.900 20 0 EFADHO CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC ZINC001037983123 1305589710 /nfs/dbraw/zinc/58/97/10/1305589710.db2.gz LRVUKZWYBPKFGG-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870865877 1305638995 /nfs/dbraw/zinc/63/89/95/1305638995.db2.gz LZUWPXXCQATLEW-IZAXUBKRSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001276608046 1314069321 /nfs/dbraw/zinc/06/93/21/1314069321.db2.gz OFNCRAXWRFUZCT-QZTJIDSGSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)CC1(C)C)N(C)C ZINC001276608046 1314069323 /nfs/dbraw/zinc/06/93/23/1314069323.db2.gz OFNCRAXWRFUZCT-QZTJIDSGSA-N 1 3 335.536 2.900 20 0 EFADHO [NH3+][C@H]1CC[C@H](C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000870918141 1305682102 /nfs/dbraw/zinc/68/21/02/1305682102.db2.gz DUGARFHTNJZEFE-GUDVDZBRSA-N 1 3 329.488 2.847 20 0 EFADHO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(CN2CCCC2)c1 ZINC000870976286 1305721762 /nfs/dbraw/zinc/72/17/62/1305721762.db2.gz XRSXLGXCVAZWIS-GGPHIMKMSA-N 1 3 327.472 2.543 20 0 EFADHO O=C1Nc2ccc(-c3cc(N4CCCC4)ccn3)cc2C12CC[NH2+]CC2 ZINC001240815180 1314074901 /nfs/dbraw/zinc/07/49/01/1314074901.db2.gz QIVGQAWGWRPOHB-UHFFFAOYSA-N 1 3 348.450 2.922 20 0 EFADHO Cc1ccccc1CN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000968148498 1305910337 /nfs/dbraw/zinc/91/03/37/1305910337.db2.gz AVHCWVJMIAHJMP-PXNSSMCTSA-N 1 3 343.515 2.663 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001017141574 1305940044 /nfs/dbraw/zinc/94/00/44/1305940044.db2.gz GRADDZSXCGMLIM-LXPRWKDFSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001017141574 1305940054 /nfs/dbraw/zinc/94/00/54/1305940054.db2.gz GRADDZSXCGMLIM-LXPRWKDFSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141480 1305954954 /nfs/dbraw/zinc/95/49/54/1305954954.db2.gz FNETVSBAHRQUER-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141480 1305954964 /nfs/dbraw/zinc/95/49/64/1305954964.db2.gz FNETVSBAHRQUER-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001043642298 1305955212 /nfs/dbraw/zinc/95/52/12/1305955212.db2.gz SQBSTFGGRUGNTN-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CN(CC3CCCCCC3)C2)CC[N@H+]1C ZINC001043642298 1305955219 /nfs/dbraw/zinc/95/52/19/1305955219.db2.gz SQBSTFGGRUGNTN-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(CN2CC[C@@H](C)[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC000968188887 1305965311 /nfs/dbraw/zinc/96/53/11/1305965311.db2.gz DULVITFBHAVUKW-XLIONFOSSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1noc(C)c1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276617628 1314094555 /nfs/dbraw/zinc/09/45/55/1314094555.db2.gz RXMINPKVJRUXBS-UHFFFAOYSA-N 1 3 343.475 2.893 20 0 EFADHO Cc1noc(C)c1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276617628 1314094557 /nfs/dbraw/zinc/09/45/57/1314094557.db2.gz RXMINPKVJRUXBS-UHFFFAOYSA-N 1 3 343.475 2.893 20 0 EFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCCc3cccnc3)C2)C1 ZINC001209174685 1314106696 /nfs/dbraw/zinc/10/66/96/1314106696.db2.gz UIGYOHZHFMGRLC-NHCUHLMSSA-N 1 3 343.515 2.695 20 0 EFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCCc3cccnc3)C2)C1 ZINC001209174685 1314106697 /nfs/dbraw/zinc/10/66/97/1314106697.db2.gz UIGYOHZHFMGRLC-NHCUHLMSSA-N 1 3 343.515 2.695 20 0 EFADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CN(CC2CCCCCC2)C1 ZINC001044005018 1306167474 /nfs/dbraw/zinc/16/74/74/1306167474.db2.gz OUEBFGYXCBLDGN-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)CCC1 ZINC001018962980 1314112592 /nfs/dbraw/zinc/11/25/92/1314112592.db2.gz SPRVPOAWHXRZBO-HKUYNNGSSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001018962907 1314112774 /nfs/dbraw/zinc/11/27/74/1314112774.db2.gz PTFPCYYBMBTJFI-YOEHRIQHSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCc3ccc(Cl)cc3)C2)CCC1 ZINC001018963223 1314113006 /nfs/dbraw/zinc/11/30/06/1314113006.db2.gz DZXXJENEFZGBMS-KRWDZBQOSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c(Cl)c1 ZINC001018966601 1314113702 /nfs/dbraw/zinc/11/37/02/1314113702.db2.gz NIQNKGDGVCVUNM-FUHWJXTLSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971555 1314117172 /nfs/dbraw/zinc/11/71/72/1314117172.db2.gz GTCQYTQQDQGHPS-IRXDYDNUSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001018971663 1314117479 /nfs/dbraw/zinc/11/74/79/1314117479.db2.gz NBECXUFIOSAYQR-SFHVURJKSA-N 1 3 343.515 2.787 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001241446402 1314121011 /nfs/dbraw/zinc/12/10/11/1314121011.db2.gz VIVOBPHBNLUZQH-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2ccccc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001241446402 1314121013 /nfs/dbraw/zinc/12/10/13/1314121013.db2.gz VIVOBPHBNLUZQH-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO COc1ccc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001276625892 1314121958 /nfs/dbraw/zinc/12/19/58/1314121958.db2.gz HRNNBIYWSYTVKS-IRXDYDNUSA-N 1 3 337.895 2.559 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017152017 1306353150 /nfs/dbraw/zinc/35/31/50/1306353150.db2.gz JYHNHZDGJFBUMJ-GOEBONIOSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017152017 1306353156 /nfs/dbraw/zinc/35/31/56/1306353156.db2.gz JYHNHZDGJFBUMJ-GOEBONIOSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493496 1306397467 /nfs/dbraw/zinc/39/74/67/1306397467.db2.gz SGFJKKSAOAYRAV-MJGOQNOKSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517912 1306424730 /nfs/dbraw/zinc/42/47/30/1306424730.db2.gz VEKBULJBMCPVHI-XLIONFOSSA-N 1 3 347.547 2.901 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999504 1314126763 /nfs/dbraw/zinc/12/67/63/1314126763.db2.gz VMLGQZZWTPZLDY-IEZWGBDMSA-N 1 3 347.503 2.533 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001018999366 1314126826 /nfs/dbraw/zinc/12/68/26/1314126826.db2.gz PHHPRHGGLNJTAS-ICSRJNTNSA-N 1 3 345.531 2.889 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001018999570 1314126850 /nfs/dbraw/zinc/12/68/50/1314126850.db2.gz XTHARYCPQZDKDB-WBAXXEDZSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001018999177 1314126856 /nfs/dbraw/zinc/12/68/56/1314126856.db2.gz IVBQXMDXPQDXMU-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001019000610 1314127068 /nfs/dbraw/zinc/12/70/68/1314127068.db2.gz FHMDVSWSQAULMX-IRXDYDNUSA-N 1 3 337.895 2.617 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921556 1306490181 /nfs/dbraw/zinc/49/01/81/1306490181.db2.gz PIVYFDKXQOVCRS-INDMIFKZSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921556 1306490184 /nfs/dbraw/zinc/49/01/84/1306490184.db2.gz PIVYFDKXQOVCRS-INDMIFKZSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921559 1306490614 /nfs/dbraw/zinc/49/06/14/1306490614.db2.gz PIVYFDKXQOVCRS-YRXWBPOGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCCCCC1 ZINC001114921559 1306490618 /nfs/dbraw/zinc/49/06/18/1306490618.db2.gz PIVYFDKXQOVCRS-YRXWBPOGSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC000968654974 1306539765 /nfs/dbraw/zinc/53/97/65/1306539765.db2.gz IXUZULZWPFRIKC-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC000968654974 1306539768 /nfs/dbraw/zinc/53/97/68/1306539768.db2.gz IXUZULZWPFRIKC-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673777 1306556323 /nfs/dbraw/zinc/55/63/23/1306556323.db2.gz MAPGPTIVDMBYSY-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673777 1306556326 /nfs/dbraw/zinc/55/63/26/1306556326.db2.gz MAPGPTIVDMBYSY-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673209 1306556427 /nfs/dbraw/zinc/55/64/27/1306556427.db2.gz JADVCUKBTMHBRR-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968673209 1306556432 /nfs/dbraw/zinc/55/64/32/1306556432.db2.gz JADVCUKBTMHBRR-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674255 1306557277 /nfs/dbraw/zinc/55/72/77/1306557277.db2.gz QEARUQYCFHFIIR-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674255 1306557279 /nfs/dbraw/zinc/55/72/79/1306557279.db2.gz QEARUQYCFHFIIR-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001209314877 1314137917 /nfs/dbraw/zinc/13/79/17/1314137917.db2.gz MDGFCKWZGBXUEH-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1CC[N@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682542 1306564360 /nfs/dbraw/zinc/56/43/60/1306564360.db2.gz SCHCRGADGMTXFO-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682542 1306564362 /nfs/dbraw/zinc/56/43/62/1306564362.db2.gz SCHCRGADGMTXFO-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H](C)C2)c1 ZINC001044630284 1306674660 /nfs/dbraw/zinc/67/46/60/1306674660.db2.gz UVFHZHOXENIFIS-PKOBYXMFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H](C)C2)c1 ZINC001044630282 1306674679 /nfs/dbraw/zinc/67/46/79/1306674679.db2.gz UVFHZHOXENIFIS-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001019033340 1314143359 /nfs/dbraw/zinc/14/33/59/1314143359.db2.gz JRTKWOGFNVUUSA-RCCFBDPRSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC001019034447 1314144278 /nfs/dbraw/zinc/14/42/78/1314144278.db2.gz DEBISEVIBDLUAL-PKOBYXMFSA-N 1 3 346.519 2.544 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744881 1306767921 /nfs/dbraw/zinc/76/79/21/1306767921.db2.gz QFUCVKBZTDSXBT-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744878 1306768167 /nfs/dbraw/zinc/76/81/67/1306768167.db2.gz QFUCVKBZTDSXBT-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044750141 1306772210 /nfs/dbraw/zinc/77/22/10/1306772210.db2.gz MZQQJYUJEMXZTM-YOEHRIQHSA-N 1 3 344.434 2.569 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751788 1306772771 /nfs/dbraw/zinc/77/27/71/1306772771.db2.gz VILARLZLEZEXHA-XJKSGUPXSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753192 1306773836 /nfs/dbraw/zinc/77/38/36/1306773836.db2.gz AMYXZLOUICAPIQ-WBVHZDCISA-N 1 3 330.476 2.812 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c(C)s1 ZINC001044757001 1306776807 /nfs/dbraw/zinc/77/68/07/1306776807.db2.gz SEXGFJZEQRVXAP-BLLLJJGKSA-N 1 3 346.500 2.800 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c(C)s1 ZINC001044757002 1306776987 /nfs/dbraw/zinc/77/69/87/1306776987.db2.gz SEXGFJZEQRVXAP-LRDDRELGSA-N 1 3 346.500 2.800 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000968904130 1306777517 /nfs/dbraw/zinc/77/75/17/1306777517.db2.gz KIVJZSVTYSOTGD-MSOLQXFVSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968912616 1306786338 /nfs/dbraw/zinc/78/63/38/1306786338.db2.gz MQYCEHBFXMIHDA-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CC1 ZINC000968912970 1306786844 /nfs/dbraw/zinc/78/68/44/1306786844.db2.gz YOYMHMUFTVFDAP-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2Cl)C1)C1CCC1 ZINC000968922103 1306799289 /nfs/dbraw/zinc/79/92/89/1306799289.db2.gz QGKHSOKNNRPLBS-MRXNPFEDSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968924413 1306802678 /nfs/dbraw/zinc/80/26/78/1306802678.db2.gz GTCQYTQQDQGHPS-DLBZAZTESA-N 1 3 329.488 2.731 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C[C@H]2C)CC1 ZINC001044791147 1306803516 /nfs/dbraw/zinc/80/35/16/1306803516.db2.gz FRUOZWBBRZVQBR-QUCCMNQESA-N 1 3 343.515 2.888 20 0 EFADHO COc1cc(CN(C)CC2CC[NH+](C)CC2)cnc1Br ZINC001249838139 1315144823 /nfs/dbraw/zinc/14/48/23/1315144823.db2.gz ABFVXEAZIDXLJI-UHFFFAOYSA-N 1 3 342.281 2.626 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC000968989535 1306866476 /nfs/dbraw/zinc/86/64/76/1306866476.db2.gz ISYRGFDFSOHZFR-NEWSRXKRSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858894 1306869240 /nfs/dbraw/zinc/86/92/40/1306869240.db2.gz WXFDMDOJGHAJPT-MAUKXSAKSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858895 1306869328 /nfs/dbraw/zinc/86/93/28/1306869328.db2.gz WXFDMDOJGHAJPT-QAPCUYQASA-N 1 3 349.906 2.905 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC000968996688 1306873108 /nfs/dbraw/zinc/87/31/08/1306873108.db2.gz MTTIKXBZYBRWHR-OAGGEKHMSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c(C)s1 ZINC001044865086 1306876305 /nfs/dbraw/zinc/87/63/05/1306876305.db2.gz NGPFTBULEJFNLX-KSSFIOAISA-N 1 3 349.544 2.930 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC000969076625 1306950935 /nfs/dbraw/zinc/95/09/35/1306950935.db2.gz CRQYPQROZQCABI-CWFSZBLJSA-N 1 3 343.515 2.767 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC000969076622 1306951357 /nfs/dbraw/zinc/95/13/57/1306951357.db2.gz CRQYPQROZQCABI-CDHQVMDDSA-N 1 3 343.515 2.767 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044959572 1306956614 /nfs/dbraw/zinc/95/66/14/1306956614.db2.gz JEQYWCOKJXCJBA-ZWKOTPCHSA-N 1 3 349.906 2.823 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN2C(=O)C(C)(C)N2CCCCC2)C1 ZINC001045037333 1307010179 /nfs/dbraw/zinc/01/01/79/1307010179.db2.gz LRVAWUVXPNRQNE-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001045067046 1307030143 /nfs/dbraw/zinc/03/01/43/1307030143.db2.gz DYKAZSABGWALGK-OALUTQOASA-N 1 3 347.478 2.577 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001045067354 1307030296 /nfs/dbraw/zinc/03/02/96/1307030296.db2.gz LEYRYBYFWBISRM-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001045067132 1307030333 /nfs/dbraw/zinc/03/03/33/1307030333.db2.gz GULBCSNLIWFROY-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001045067492 1307030667 /nfs/dbraw/zinc/03/06/67/1307030667.db2.gz NAPZHGIPYVAGBE-OALUTQOASA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2Cl)CCC1 ZINC001045067863 1307031416 /nfs/dbraw/zinc/03/14/16/1307031416.db2.gz BXYWYVRPISYOLF-INIZCTEOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001045067604 1307031646 /nfs/dbraw/zinc/03/16/46/1307031646.db2.gz UZCVMLIGAAFMCH-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)CCC1 ZINC001045069090 1307032187 /nfs/dbraw/zinc/03/21/87/1307032187.db2.gz UAPDMQXRZMZJGZ-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)CCC1 ZINC001045069455 1307032799 /nfs/dbraw/zinc/03/27/99/1307032799.db2.gz YVDADSUELVAUBT-KRWDZBQOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001045068458 1307032858 /nfs/dbraw/zinc/03/28/58/1307032858.db2.gz MNVDAFFUQRZXTF-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001045068457 1307032951 /nfs/dbraw/zinc/03/29/51/1307032951.db2.gz MNQNEYZCXXGQHG-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1C ZINC001045070737 1307033846 /nfs/dbraw/zinc/03/38/46/1307033846.db2.gz TUOPRJAQWAKRAW-FQEVSTJZSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(CC)Cc1ccc(-c2cnc(N3CC[NH2+]CC3)nc2)cc1F ZINC001241900005 1314162392 /nfs/dbraw/zinc/16/23/92/1314162392.db2.gz QRMSJNXXKULNTF-UHFFFAOYSA-N 1 3 343.450 2.534 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1sccc1Cl)N(C)C ZINC001045089716 1307045751 /nfs/dbraw/zinc/04/57/51/1307045751.db2.gz MRDCYDZRLUWKFA-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001209444165 1314163679 /nfs/dbraw/zinc/16/36/79/1314163679.db2.gz DRDXVYPBQLEOFV-LSDHHAIUSA-N 1 3 337.895 2.933 20 0 EFADHO c1cncc(O[C@@H]2CO[C@@]3(CC[N@@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450803 1314164860 /nfs/dbraw/zinc/16/48/60/1314164860.db2.gz CNYORVFAEDABKA-PMACEKPBSA-N 1 3 345.487 2.570 20 0 EFADHO c1cncc(O[C@@H]2CO[C@@]3(CC[N@H+](CCCN4CCCCC4)C3)C2)c1 ZINC001209450803 1314164865 /nfs/dbraw/zinc/16/48/65/1314164865.db2.gz CNYORVFAEDABKA-PMACEKPBSA-N 1 3 345.487 2.570 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]1CNCc1ccccc1F)[NH+]1CCCC1 ZINC001045148871 1307087545 /nfs/dbraw/zinc/08/75/45/1307087545.db2.gz JDSZZDPPZRLBJZ-KRWDZBQOSA-N 1 3 347.478 2.781 20 0 EFADHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209451791 1314165679 /nfs/dbraw/zinc/16/56/79/1314165679.db2.gz RQRHKLUOJRLMAD-VQTJNVASSA-N 1 3 336.520 2.913 20 0 EFADHO C(CN1CCCCC1)C[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209451791 1314165683 /nfs/dbraw/zinc/16/56/83/1314165683.db2.gz RQRHKLUOJRLMAD-VQTJNVASSA-N 1 3 336.520 2.913 20 0 EFADHO Cn1cc([C@H]2COC3(C2)CC[NH+](CCCN2CCCCC2)CC3)cn1 ZINC001209452005 1314165907 /nfs/dbraw/zinc/16/59/07/1314165907.db2.gz ZIJIGFCJCCSKKQ-GOSISDBHSA-N 1 3 346.519 2.635 20 0 EFADHO C[C@H](NC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)c1ccccc1F ZINC001045181660 1307116973 /nfs/dbraw/zinc/11/69/73/1307116973.db2.gz QVJMBOJNORCUMM-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC001045199629 1307133663 /nfs/dbraw/zinc/13/36/63/1307133663.db2.gz GEERQULJPKSDJU-JXFKEZNVSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045199490 1307134025 /nfs/dbraw/zinc/13/40/25/1307134025.db2.gz BJVKAVWUGLQLRW-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CNCc2ccccc2Cl)C1 ZINC001045199490 1307134029 /nfs/dbraw/zinc/13/40/29/1307134029.db2.gz BJVKAVWUGLQLRW-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001045199636 1307134040 /nfs/dbraw/zinc/13/40/40/1307134040.db2.gz GKSQQDMGIYKMAV-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC001045200295 1307135318 /nfs/dbraw/zinc/13/53/18/1307135318.db2.gz TTYHKKNZOZYACN-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cc1C ZINC001045200651 1307136217 /nfs/dbraw/zinc/13/62/17/1307136217.db2.gz KKCUBILIYLMYCK-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001045219449 1307150153 /nfs/dbraw/zinc/15/01/53/1307150153.db2.gz NEARFCVKVUFPHY-PKOBYXMFSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001045220036 1307151106 /nfs/dbraw/zinc/15/11/06/1307151106.db2.gz XOPNXEYKNIPYNA-QAPCUYQASA-N 1 3 326.444 2.602 20 0 EFADHO CSc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cn1 ZINC001276644938 1314169840 /nfs/dbraw/zinc/16/98/40/1314169840.db2.gz XYTORENBQDJSPB-MOPGFXCFSA-N 1 3 348.560 2.890 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC(C)CC2)cc1 ZINC001045251561 1307175731 /nfs/dbraw/zinc/17/57/31/1307175731.db2.gz YXEUQODZOQFCEN-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(F)c2)CC1 ZINC001045251573 1307176943 /nfs/dbraw/zinc/17/69/43/1307176943.db2.gz ZKUPKHUNYWJVFH-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001209474698 1314170700 /nfs/dbraw/zinc/17/07/00/1314170700.db2.gz JFNLJJZPGDZLDA-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001045311351 1307230633 /nfs/dbraw/zinc/23/06/33/1307230633.db2.gz IVONCVNBNUDYGT-HKUYNNGSSA-N 1 3 329.488 2.732 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001045320990 1307239030 /nfs/dbraw/zinc/23/90/30/1307239030.db2.gz ARDVBVAENHIZJD-RBUKOAKNSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045321639 1307240180 /nfs/dbraw/zinc/24/01/80/1307240180.db2.gz ZVWBSUQMSOEENZ-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC[C@@H](C)F)CC1 ZINC001045438636 1307338889 /nfs/dbraw/zinc/33/88/89/1307338889.db2.gz UQDSXJKQAFUESH-HZPDHXFCSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007330083 1307371642 /nfs/dbraw/zinc/37/16/42/1307371642.db2.gz XCTWOKPQSVUHTB-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007330083 1307371646 /nfs/dbraw/zinc/37/16/46/1307371646.db2.gz XCTWOKPQSVUHTB-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001007330082 1307371839 /nfs/dbraw/zinc/37/18/39/1307371839.db2.gz XCTWOKPQSVUHTB-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001007330082 1307371842 /nfs/dbraw/zinc/37/18/42/1307371842.db2.gz XCTWOKPQSVUHTB-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1nc(N)ccc1CN1CCC2(CC[N@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276652790 1314184141 /nfs/dbraw/zinc/18/41/41/1314184141.db2.gz QOCKIDGISDFJAF-UHFFFAOYSA-N 1 3 339.487 2.788 20 0 EFADHO Cc1nc(N)ccc1CN1CCC2(CC[N@@H+](Cc3ccc[nH]3)C2)CC1 ZINC001276652790 1314184142 /nfs/dbraw/zinc/18/41/42/1314184142.db2.gz QOCKIDGISDFJAF-UHFFFAOYSA-N 1 3 339.487 2.788 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001007369536 1307392618 /nfs/dbraw/zinc/39/26/18/1307392618.db2.gz RUNCXVILVSCDJN-CEXWTWQISA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001007369536 1307392621 /nfs/dbraw/zinc/39/26/21/1307392621.db2.gz RUNCXVILVSCDJN-CEXWTWQISA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)CC[N@@H+]1C ZINC001007369066 1307393172 /nfs/dbraw/zinc/39/31/72/1307393172.db2.gz PIXBQRXLTNREJT-HSALFYBXSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)CC[N@H+]1C ZINC001007369066 1307393174 /nfs/dbraw/zinc/39/31/74/1307393174.db2.gz PIXBQRXLTNREJT-HSALFYBXSA-N 1 3 343.515 2.540 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001007455615 1307446419 /nfs/dbraw/zinc/44/64/19/1307446419.db2.gz CLJQIAFLAFQSMS-FUHWJXTLSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001007455615 1307446422 /nfs/dbraw/zinc/44/64/22/1307446422.db2.gz CLJQIAFLAFQSMS-FUHWJXTLSA-N 1 3 349.544 2.746 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620116 1307458351 /nfs/dbraw/zinc/45/83/51/1307458351.db2.gz BPILLHHPGZMGIY-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620116 1307458353 /nfs/dbraw/zinc/45/83/53/1307458353.db2.gz BPILLHHPGZMGIY-RTBURBONSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2(C)CC[NH+](CCCF)CC2)c1 ZINC001045647041 1307498517 /nfs/dbraw/zinc/49/85/17/1307498517.db2.gz PCNWXTIRSFKJJT-UHFFFAOYSA-N 1 3 335.467 2.692 20 0 EFADHO C[NH+](C)Cc1ccc(-c2noc(-c3ccc4c(n3)CNCC4)n2)cc1 ZINC000900004055 1307590969 /nfs/dbraw/zinc/59/09/69/1307590969.db2.gz HFAMJNQGDYNMDX-UHFFFAOYSA-N 1 3 335.411 2.506 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001276658777 1314202679 /nfs/dbraw/zinc/20/26/79/1314202679.db2.gz VYKACRSJBFHIFU-HXUWFJFHSA-N 1 3 347.551 2.676 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001276658777 1314202682 /nfs/dbraw/zinc/20/26/82/1314202682.db2.gz VYKACRSJBFHIFU-HXUWFJFHSA-N 1 3 347.551 2.676 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045807113 1307664863 /nfs/dbraw/zinc/66/48/63/1307664863.db2.gz KBJKWCVPNHHTOF-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045807113 1307664868 /nfs/dbraw/zinc/66/48/68/1307664868.db2.gz KBJKWCVPNHHTOF-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)C1 ZINC001209641347 1314206759 /nfs/dbraw/zinc/20/67/59/1314206759.db2.gz JARHTDMQXWPYHY-GXYHLBQZSA-N 1 3 345.890 2.532 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900175130 1307744469 /nfs/dbraw/zinc/74/44/69/1307744469.db2.gz SRHGBLYIZGVOCN-WBVHZDCISA-N 1 3 331.460 2.712 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900175130 1307744473 /nfs/dbraw/zinc/74/44/73/1307744473.db2.gz SRHGBLYIZGVOCN-WBVHZDCISA-N 1 3 331.460 2.712 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001045858689 1307759621 /nfs/dbraw/zinc/75/96/21/1307759621.db2.gz SDPLNOQCWPLNSF-SQNIBIBYSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045858689 1307759624 /nfs/dbraw/zinc/75/96/24/1307759624.db2.gz SDPLNOQCWPLNSF-SQNIBIBYSA-N 1 3 339.499 2.674 20 0 EFADHO CCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209642572 1314207927 /nfs/dbraw/zinc/20/79/27/1314207927.db2.gz PDNHOZMOAMGHNN-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001209643404 1314208080 /nfs/dbraw/zinc/20/80/80/1314208080.db2.gz SYBRNFWXEKXUKD-WMZOPIPTSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1cccc(CN2CC[C@H]3C[N@H+](CCN(C)C)C[C@H]32)c1OC(C)C ZINC001276661662 1314211544 /nfs/dbraw/zinc/21/15/44/1314211544.db2.gz YGQOZRGJZNPZCL-AZUAARDMSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1cccc(CN2CC[C@H]3C[N@@H+](CCN(C)C)C[C@H]32)c1OC(C)C ZINC001276661662 1314211547 /nfs/dbraw/zinc/21/15/47/1314211547.db2.gz YGQOZRGJZNPZCL-AZUAARDMSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659687 1314211917 /nfs/dbraw/zinc/21/19/17/1314211917.db2.gz HNOYBHBUFRCFAX-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001045895826 1307832610 /nfs/dbraw/zinc/83/26/10/1307832610.db2.gz PJJYNTHNXWQCOJ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001045895826 1307832612 /nfs/dbraw/zinc/83/26/12/1307832612.db2.gz PJJYNTHNXWQCOJ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001209670300 1314213881 /nfs/dbraw/zinc/21/38/81/1314213881.db2.gz XTYVQFDJPYOSPX-UXHICEINSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CC3(C2)CCN(CC[NH+](C)C)C3)c1 ZINC001276664389 1314216679 /nfs/dbraw/zinc/21/66/79/1314216679.db2.gz VFLIPUNIHFULJW-UHFFFAOYSA-N 1 3 345.531 2.852 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN(C)CC1CC[NH+](C)CC1 ZINC001209687966 1314217172 /nfs/dbraw/zinc/21/71/72/1314217172.db2.gz OZTJFVILAXPRNI-UHFFFAOYSA-N 1 3 334.460 2.646 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209689001 1314217319 /nfs/dbraw/zinc/21/73/19/1314217319.db2.gz IEJAMLMBDSCOPP-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001209688998 1314217395 /nfs/dbraw/zinc/21/73/95/1314217395.db2.gz IEJAMLMBDSCOPP-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001045941888 1307951021 /nfs/dbraw/zinc/95/10/21/1307951021.db2.gz OHWDIFVTANFWDJ-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001045941888 1307951026 /nfs/dbraw/zinc/95/10/26/1307951026.db2.gz OHWDIFVTANFWDJ-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@H+](CCCF)C2)C1)C1CCC1 ZINC001045944113 1307960133 /nfs/dbraw/zinc/96/01/33/1307960133.db2.gz XOKJMCHPRCTVAN-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@@H+](CCCF)C2)C1)C1CCC1 ZINC001045944113 1307960136 /nfs/dbraw/zinc/96/01/36/1307960136.db2.gz XOKJMCHPRCTVAN-LJQANCHMSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)N(C)C ZINC001045965001 1308018339 /nfs/dbraw/zinc/01/83/39/1308018339.db2.gz QYVZZIVNMNNDKG-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1)N(C)C ZINC001045965001 1308018346 /nfs/dbraw/zinc/01/83/46/1308018346.db2.gz QYVZZIVNMNNDKG-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001045965104 1308018651 /nfs/dbraw/zinc/01/86/51/1308018651.db2.gz DDMITSCMDOFHPI-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001045965104 1308018655 /nfs/dbraw/zinc/01/86/55/1308018655.db2.gz DDMITSCMDOFHPI-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966044 1308021225 /nfs/dbraw/zinc/02/12/25/1308021225.db2.gz YOTPPNMISRHTNR-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966044 1308021228 /nfs/dbraw/zinc/02/12/28/1308021228.db2.gz YOTPPNMISRHTNR-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045966895 1308023484 /nfs/dbraw/zinc/02/34/84/1308023484.db2.gz IWGADULJZBOUNE-AZUAARDMSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045966895 1308023489 /nfs/dbraw/zinc/02/34/89/1308023489.db2.gz IWGADULJZBOUNE-AZUAARDMSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967657 1308026367 /nfs/dbraw/zinc/02/63/67/1308026367.db2.gz ZOXBPQXJCYOWDH-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967657 1308026371 /nfs/dbraw/zinc/02/63/71/1308026371.db2.gz ZOXBPQXJCYOWDH-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001045968788 1308030184 /nfs/dbraw/zinc/03/01/84/1308030184.db2.gz HEWBTNDJGPGNEZ-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001045968788 1308030185 /nfs/dbraw/zinc/03/01/85/1308030185.db2.gz HEWBTNDJGPGNEZ-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045974142 1308045947 /nfs/dbraw/zinc/04/59/47/1308045947.db2.gz ZDANQDLYYAGDHL-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001045974142 1308045951 /nfs/dbraw/zinc/04/59/51/1308045951.db2.gz ZDANQDLYYAGDHL-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001008404071 1308049133 /nfs/dbraw/zinc/04/91/33/1308049133.db2.gz GINSVQQDEHFUIM-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008412716 1308053517 /nfs/dbraw/zinc/05/35/17/1308053517.db2.gz SOVKRCUTEWJOOF-FXAWDEMLSA-N 1 3 343.515 2.978 20 0 EFADHO Nc1ccncc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209732758 1314225549 /nfs/dbraw/zinc/22/55/49/1314225549.db2.gz DFZNGWAACRFVHL-OALUTQOASA-N 1 3 336.483 2.838 20 0 EFADHO Nc1ccncc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001209732758 1314225551 /nfs/dbraw/zinc/22/55/51/1314225551.db2.gz DFZNGWAACRFVHL-OALUTQOASA-N 1 3 336.483 2.838 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC1 ZINC001097775594 1314227818 /nfs/dbraw/zinc/22/78/18/1314227818.db2.gz NNFWCIUUXZXAOH-QRVBRYPASA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097776258 1314228527 /nfs/dbraw/zinc/22/85/27/1314228527.db2.gz WGKTUDFLKHZYEG-AQNXPRMDSA-N 1 3 341.499 2.558 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001019241625 1314234787 /nfs/dbraw/zinc/23/47/87/1314234787.db2.gz PINWOFAGZPMERI-CGTJXYLNSA-N 1 3 347.890 2.612 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc2c(c1)CCC2 ZINC001019241594 1314235207 /nfs/dbraw/zinc/23/52/07/1314235207.db2.gz MJXXPBNLKMPGAN-RYGJVYDSSA-N 1 3 341.499 2.521 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)c1 ZINC001009203748 1308430049 /nfs/dbraw/zinc/43/00/49/1308430049.db2.gz SAYMLZRFNADZBX-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)c1 ZINC001009203748 1308430052 /nfs/dbraw/zinc/43/00/52/1308430052.db2.gz SAYMLZRFNADZBX-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)c1 ZINC001009203746 1308430463 /nfs/dbraw/zinc/43/04/63/1308430463.db2.gz SAYMLZRFNADZBX-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)c1 ZINC001009203746 1308430466 /nfs/dbraw/zinc/43/04/66/1308430466.db2.gz SAYMLZRFNADZBX-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001046314565 1308530058 /nfs/dbraw/zinc/53/00/58/1308530058.db2.gz DENBPZVTXKTJJL-TZIWHRDSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001046314565 1308530060 /nfs/dbraw/zinc/53/00/60/1308530060.db2.gz DENBPZVTXKTJJL-TZIWHRDSSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001046316031 1308531711 /nfs/dbraw/zinc/53/17/11/1308531711.db2.gz MJWIVYOOURVFQV-UYAOXDASSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001046316031 1308531713 /nfs/dbraw/zinc/53/17/13/1308531713.db2.gz MJWIVYOOURVFQV-UYAOXDASSA-N 1 3 329.488 2.640 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001046328903 1308544766 /nfs/dbraw/zinc/54/47/66/1308544766.db2.gz JEGVYVQZHDMSFA-QFUCXCTJSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001046328903 1308544771 /nfs/dbraw/zinc/54/47/71/1308544771.db2.gz JEGVYVQZHDMSFA-QFUCXCTJSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001046329090 1308545726 /nfs/dbraw/zinc/54/57/26/1308545726.db2.gz LCXMHCZJONIGMD-LSBZLQRGSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001046329090 1308545731 /nfs/dbraw/zinc/54/57/31/1308545731.db2.gz LCXMHCZJONIGMD-LSBZLQRGSA-N 1 3 349.544 2.786 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001046331751 1308548598 /nfs/dbraw/zinc/54/85/98/1308548598.db2.gz MUNJNKLDGRZVSV-OZOXKJRCSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001046331751 1308548601 /nfs/dbraw/zinc/54/86/01/1308548601.db2.gz MUNJNKLDGRZVSV-OZOXKJRCSA-N 1 3 343.515 2.670 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001009607782 1308583761 /nfs/dbraw/zinc/58/37/61/1308583761.db2.gz DJQYYASSQSLOQZ-NLPFYKDJSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001009607782 1308583764 /nfs/dbraw/zinc/58/37/64/1308583764.db2.gz DJQYYASSQSLOQZ-NLPFYKDJSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CC3CCC3)C2)c1 ZINC001009612788 1308585074 /nfs/dbraw/zinc/58/50/74/1308585074.db2.gz SFXOFEFDDNTKJO-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001009612788 1308585077 /nfs/dbraw/zinc/58/50/77/1308585077.db2.gz SFXOFEFDDNTKJO-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615006 1308586537 /nfs/dbraw/zinc/58/65/37/1308586537.db2.gz ZMWDJMXSXGLZOM-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009615006 1308586539 /nfs/dbraw/zinc/58/65/39/1308586539.db2.gz ZMWDJMXSXGLZOM-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCN(CCC[NH+](C)C)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC001413202640 1308607342 /nfs/dbraw/zinc/60/73/42/1308607342.db2.gz GWLHXVDUZFIUSI-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900782768 1308675061 /nfs/dbraw/zinc/67/50/61/1308675061.db2.gz LTYFLJGEBZYYNK-WDSOQIARSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000900782768 1308675066 /nfs/dbraw/zinc/67/50/66/1308675066.db2.gz LTYFLJGEBZYYNK-WDSOQIARSA-N 1 3 331.504 2.838 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001046588966 1308850298 /nfs/dbraw/zinc/85/02/98/1308850298.db2.gz VGWBKXPGTLXCJU-OAQYLSRUSA-N 1 3 343.515 2.671 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001046598142 1308884091 /nfs/dbraw/zinc/88/40/91/1308884091.db2.gz MBKITHDWSPHYRJ-HXUWFJFHSA-N 1 3 347.478 2.579 20 0 EFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001210040465 1314274211 /nfs/dbraw/zinc/27/42/11/1314274211.db2.gz HTLNFDVYYCYTOR-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001210040465 1314274215 /nfs/dbraw/zinc/27/42/15/1314274215.db2.gz HTLNFDVYYCYTOR-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210041172 1314274503 /nfs/dbraw/zinc/27/45/03/1314274503.db2.gz QSODGYBXYYFICK-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN([C@@H]2CCc3c2cccc3F)C[C@H]1C ZINC001210041172 1314274506 /nfs/dbraw/zinc/27/45/06/1314274506.db2.gz QSODGYBXYYFICK-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001210041970 1314275140 /nfs/dbraw/zinc/27/51/40/1314275140.db2.gz ZXWDRSHAYXRACM-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@H]1C ZINC001210041970 1314275144 /nfs/dbraw/zinc/27/51/44/1314275144.db2.gz ZXWDRSHAYXRACM-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001019326398 1314276422 /nfs/dbraw/zinc/27/64/22/1314276422.db2.gz NGXSYISTPBMXHJ-ZBFHGGJFSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001019337416 1314280504 /nfs/dbraw/zinc/28/05/04/1314280504.db2.gz ISYRGFDFSOHZFR-QXAKKESOSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001019342720 1314283717 /nfs/dbraw/zinc/28/37/17/1314283717.db2.gz DMGXFNOXKKRTTE-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001210217142 1314296591 /nfs/dbraw/zinc/29/65/91/1314296591.db2.gz DJDGEZXTNNUHCE-BEBFYNPSSA-N 1 3 329.488 2.622 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210217599 1314297054 /nfs/dbraw/zinc/29/70/54/1314297054.db2.gz JZVYVBZYRDEOPJ-PKOBYXMFSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001210217447 1314297112 /nfs/dbraw/zinc/29/71/12/1314297112.db2.gz IICRPMYTOPNXQX-AWEZNQCLSA-N 1 3 337.430 2.641 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001210217690 1314297273 /nfs/dbraw/zinc/29/72/73/1314297273.db2.gz LJWDQZFAINFZMY-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001210218277 1314297344 /nfs/dbraw/zinc/29/73/44/1314297344.db2.gz QCWRLHVYIDAEFZ-GOSISDBHSA-N 1 3 342.487 2.590 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001210218185 1314297368 /nfs/dbraw/zinc/29/73/68/1314297368.db2.gz PKQLXANSLRXLAL-MSOLQXFVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](NCc2ccccn2)C1)C(C)C ZINC001210190627 1314293408 /nfs/dbraw/zinc/29/34/08/1314293408.db2.gz XMVPPALCHSUZKH-RBUKOAKNSA-N 1 3 346.519 2.529 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001019380757 1314302817 /nfs/dbraw/zinc/30/28/17/1314302817.db2.gz LNKRQCVIGRHYRU-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019381717 1314303270 /nfs/dbraw/zinc/30/32/70/1314303270.db2.gz QVJSRTUMTDQRKL-HOTGVXAUSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001019381717 1314303273 /nfs/dbraw/zinc/30/32/73/1314303273.db2.gz QVJSRTUMTDQRKL-HOTGVXAUSA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019382902 1314304939 /nfs/dbraw/zinc/30/49/39/1314304939.db2.gz OOBBKBOFLYHJMB-MJGOQNOKSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001019386208 1314306254 /nfs/dbraw/zinc/30/62/54/1314306254.db2.gz IRKQSOLWQBNEKO-MJGOQNOKSA-N 1 3 343.515 2.978 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001019386450 1314306524 /nfs/dbraw/zinc/30/65/24/1314306524.db2.gz OXUUEOFMPZMOHI-SFHVURJKSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001019386957 1314306993 /nfs/dbraw/zinc/30/69/93/1314306993.db2.gz ZYZHEDPXRHSGGN-QAPCUYQASA-N 1 3 347.478 2.809 20 0 EFADHO CN1CCN(c2cccc(-c3ccc(-n4cc[nH+]c4N)cc3)c2)CC1 ZINC001243672618 1314311992 /nfs/dbraw/zinc/31/19/92/1314311992.db2.gz DCAHWDOWCFOQPG-UHFFFAOYSA-N 1 3 333.439 2.873 20 0 EFADHO CN1CCN(c2cccc(-c3cccc(Cn4cc[nH+]c4N)c3)c2)CC1 ZINC001243673118 1314312454 /nfs/dbraw/zinc/31/24/54/1314312454.db2.gz KVMOTTAAVXKFLS-UHFFFAOYSA-N 1 3 347.466 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001019397405 1314313070 /nfs/dbraw/zinc/31/30/70/1314313070.db2.gz YLNLZBIVJGXNBH-KKXDTOCCSA-N 1 3 349.906 2.858 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001052712067 1314317273 /nfs/dbraw/zinc/31/72/73/1314317273.db2.gz DKSOYDMBGSYBPD-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001052712067 1314317275 /nfs/dbraw/zinc/31/72/75/1314317275.db2.gz DKSOYDMBGSYBPD-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831283 1309475628 /nfs/dbraw/zinc/47/56/28/1309475628.db2.gz IRIJMBKKURFEMF-PZJWPPBQSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001046831283 1309475630 /nfs/dbraw/zinc/47/56/30/1309475630.db2.gz IRIJMBKKURFEMF-PZJWPPBQSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834673 1309485856 /nfs/dbraw/zinc/48/58/56/1309485856.db2.gz VDJCRUZHVIFWSG-TZIWHRDSSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834673 1309485862 /nfs/dbraw/zinc/48/58/62/1309485862.db2.gz VDJCRUZHVIFWSG-TZIWHRDSSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001052713562 1314319477 /nfs/dbraw/zinc/31/94/77/1314319477.db2.gz ZYBVGSJGQJXGFZ-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001052713562 1314319480 /nfs/dbraw/zinc/31/94/80/1314319480.db2.gz ZYBVGSJGQJXGFZ-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001052713563 1314319906 /nfs/dbraw/zinc/31/99/06/1314319906.db2.gz ZYBVGSJGQJXGFZ-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001052713563 1314319909 /nfs/dbraw/zinc/31/99/09/1314319909.db2.gz ZYBVGSJGQJXGFZ-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052712749 1314319958 /nfs/dbraw/zinc/31/99/58/1314319958.db2.gz OEXOHOVHDJJGHX-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052712749 1314319960 /nfs/dbraw/zinc/31/99/60/1314319960.db2.gz OEXOHOVHDJJGHX-IEBWSBKVSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712760 1314320336 /nfs/dbraw/zinc/32/03/36/1314320336.db2.gz OMILGRZXTOWJHY-FXAWDEMLSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712760 1314320338 /nfs/dbraw/zinc/32/03/38/1314320338.db2.gz OMILGRZXTOWJHY-FXAWDEMLSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052715275 1314320792 /nfs/dbraw/zinc/32/07/92/1314320792.db2.gz BXMLIDUYVHOAPU-DLBZAZTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052715275 1314320795 /nfs/dbraw/zinc/32/07/95/1314320795.db2.gz BXMLIDUYVHOAPU-DLBZAZTESA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712270 1314318234 /nfs/dbraw/zinc/31/82/34/1314318234.db2.gz GMQKQLDXCUCJQA-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712270 1314318237 /nfs/dbraw/zinc/31/82/37/1314318237.db2.gz GMQKQLDXCUCJQA-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001046950384 1309750092 /nfs/dbraw/zinc/75/00/92/1309750092.db2.gz GXQBVSXPGSRXLP-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)C)CCC1(F)F ZINC001046950384 1309750102 /nfs/dbraw/zinc/75/01/02/1309750102.db2.gz GXQBVSXPGSRXLP-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C(C)C)CCC1(F)F ZINC001046978939 1309828909 /nfs/dbraw/zinc/82/89/09/1309828909.db2.gz ZPWXXENEUNIZBZ-HOTGVXAUSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C(C)C)CCC1(F)F ZINC001046978939 1309828917 /nfs/dbraw/zinc/82/89/17/1309828917.db2.gz ZPWXXENEUNIZBZ-HOTGVXAUSA-N 1 3 345.478 2.731 20 0 EFADHO Nc1ncc2cc(-c3ccccc3CN3CCC([NH3+])CC3)ccc2n1 ZINC001243995783 1314341513 /nfs/dbraw/zinc/34/15/13/1314341513.db2.gz NFEAVRLFSXYNQH-UHFFFAOYSA-N 1 3 333.439 2.802 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001210494313 1314342759 /nfs/dbraw/zinc/34/27/59/1314342759.db2.gz UPTJTOPQBGPSDD-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2sccc2Cl)C1 ZINC001210494313 1314342763 /nfs/dbraw/zinc/34/27/63/1314342763.db2.gz UPTJTOPQBGPSDD-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1F ZINC001019469759 1314355413 /nfs/dbraw/zinc/35/54/13/1314355413.db2.gz MKZJJCFXDBMARJ-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)N1CCCCC1 ZINC001047074318 1310048264 /nfs/dbraw/zinc/04/82/64/1310048264.db2.gz ZTBQYNOJKXHUKM-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC001047074318 1310048273 /nfs/dbraw/zinc/04/82/73/1310048273.db2.gz ZTBQYNOJKXHUKM-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CC2)C3)c1 ZINC001047205240 1310305348 /nfs/dbraw/zinc/30/53/48/1310305348.db2.gz CRMIOVFJZRQUGM-SXLOBPIMSA-N 1 3 341.499 2.741 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC2CC2)C3)c1 ZINC001047205240 1310305355 /nfs/dbraw/zinc/30/53/55/1310305355.db2.gz CRMIOVFJZRQUGM-SXLOBPIMSA-N 1 3 341.499 2.741 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCF)C3)c1 ZINC001047208124 1310309784 /nfs/dbraw/zinc/30/97/84/1310309784.db2.gz XNAODXYHXUGHAP-WDSOQIARSA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCF)C3)c1 ZINC001047208124 1310309794 /nfs/dbraw/zinc/30/97/94/1310309794.db2.gz XNAODXYHXUGHAP-WDSOQIARSA-N 1 3 347.478 2.691 20 0 EFADHO CC1CCC(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001019560438 1314383513 /nfs/dbraw/zinc/38/35/13/1314383513.db2.gz GKFZHGOBTIREHG-KVZIAJEVSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047242016 1310392973 /nfs/dbraw/zinc/39/29/73/1310392973.db2.gz AIGQKEQCMIWEIW-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047242845 1310396814 /nfs/dbraw/zinc/39/68/14/1310396814.db2.gz GHCLKLBJACNDRN-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001047244427 1310400736 /nfs/dbraw/zinc/40/07/36/1310400736.db2.gz QYTRNEGAPPRPIM-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001019560427 1314383678 /nfs/dbraw/zinc/38/36/78/1314383678.db2.gz FXEKJPZSKYUXME-ICSRJNTNSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1cccc(F)c1 ZINC001019560689 1314384252 /nfs/dbraw/zinc/38/42/52/1314384252.db2.gz SHRYWEVBUIWNNO-LPHOPBHVSA-N 1 3 347.478 2.809 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001047255830 1310429290 /nfs/dbraw/zinc/42/92/90/1310429290.db2.gz DUXHPGLEWIPSLL-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256772 1310431718 /nfs/dbraw/zinc/43/17/18/1310431718.db2.gz NIPJXYGOSDMIJX-UYAOXDASSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256769 1310431764 /nfs/dbraw/zinc/43/17/64/1310431764.db2.gz NIPJXYGOSDMIJX-AZUAARDMSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)CC[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258889 1310437443 /nfs/dbraw/zinc/43/74/43/1310437443.db2.gz IIWXBBILKNSSNA-SFHVURJKSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210782123 1314386434 /nfs/dbraw/zinc/38/64/34/1314386434.db2.gz IZJHBDDJAAWQEW-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1 ZINC001047266062 1310460779 /nfs/dbraw/zinc/46/07/79/1310460779.db2.gz PKWKFNDKOLXIQA-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001210788555 1314388194 /nfs/dbraw/zinc/38/81/94/1314388194.db2.gz FFPASDXTZNDTEI-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001210811307 1314391935 /nfs/dbraw/zinc/39/19/35/1314391935.db2.gz LJHMRNGPYMIBEE-QGZVFWFLSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2)C1 ZINC001210810949 1314392079 /nfs/dbraw/zinc/39/20/79/1314392079.db2.gz HNPHKSOZZSGDFW-SJLPKXTDSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001210810875 1314392159 /nfs/dbraw/zinc/39/21/59/1314392159.db2.gz GGPJPPRCABNVDX-HZPDHXFCSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001052837549 1314408867 /nfs/dbraw/zinc/40/88/67/1314408867.db2.gz QVILORABHAIMFY-MDGVGCGJSA-N 1 3 341.927 2.830 20 0 EFADHO Cc1cccc(F)c1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276692068 1314414976 /nfs/dbraw/zinc/41/49/76/1314414976.db2.gz FWVRHNJOGBWCRL-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO Cc1cccc(F)c1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276692068 1314414979 /nfs/dbraw/zinc/41/49/79/1314414979.db2.gz FWVRHNJOGBWCRL-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669619 1311010186 /nfs/dbraw/zinc/01/01/86/1311010186.db2.gz RHZYMYVIYFKQMQ-GVKUHWBJSA-N 1 3 331.504 2.504 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403577 1311023125 /nfs/dbraw/zinc/02/31/25/1311023125.db2.gz HZPLUSDBLWTKOF-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001098403577 1311023128 /nfs/dbraw/zinc/02/31/28/1311023128.db2.gz HZPLUSDBLWTKOF-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098403577 1311023130 /nfs/dbraw/zinc/02/31/30/1311023130.db2.gz HZPLUSDBLWTKOF-AXUOBQJMSA-N 1 3 345.462 2.704 20 0 EFADHO CCc1cccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221773876 1311028774 /nfs/dbraw/zinc/02/87/74/1311028774.db2.gz IFYMCJRWMMDBQX-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c1 ZINC001221772662 1311029061 /nfs/dbraw/zinc/02/90/61/1311029061.db2.gz JBZKAADKFZIXSN-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791651 1311032817 /nfs/dbraw/zinc/03/28/17/1311032817.db2.gz WNSMQKSEHHRLQS-NZSAHSFTSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1ncc(F)cc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276825995 1311052563 /nfs/dbraw/zinc/05/25/63/1311052563.db2.gz FIBNXEBOUNEAEX-UHFFFAOYSA-N 1 3 348.510 2.769 20 0 EFADHO Cc1ncc(F)cc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276825995 1311052567 /nfs/dbraw/zinc/05/25/67/1311052567.db2.gz FIBNXEBOUNEAEX-UHFFFAOYSA-N 1 3 348.510 2.769 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962384 1311061456 /nfs/dbraw/zinc/06/14/56/1311061456.db2.gz ANBDRQYIJXPQIW-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222049478 1311074090 /nfs/dbraw/zinc/07/40/90/1311074090.db2.gz CLNNNRKFNRMLJH-BNLAEDIXSA-N 1 3 347.547 2.996 20 0 EFADHO FC(F)(F)Sc1cccc(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099561 1311085380 /nfs/dbraw/zinc/08/53/80/1311085380.db2.gz HTPJZICCVUHYTL-UHFFFAOYSA-N 1 3 345.434 2.826 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3ccc(C)cc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222125025 1311088083 /nfs/dbraw/zinc/08/80/83/1311088083.db2.gz DGTUQXOYLZSUFN-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@@H](C)c3ccccc3)C[C@@H]1CNCCC2 ZINC001222125474 1311088391 /nfs/dbraw/zinc/08/83/91/1311088391.db2.gz MZGHMNOUHCMGKE-KPFFTGBYSA-N 1 3 330.472 2.655 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@@H](C)c3ccccc3)C[C@@H]1CNCCC2 ZINC001222125474 1311088394 /nfs/dbraw/zinc/08/83/94/1311088394.db2.gz MZGHMNOUHCMGKE-KPFFTGBYSA-N 1 3 330.472 2.655 20 0 EFADHO CCOC(=O)[C@@H]1CC2(CN1C[C@H](C)c1ccccc1)CC[NH2+]CC2 ZINC001222215642 1311099892 /nfs/dbraw/zinc/09/98/92/1311099892.db2.gz IWUCKESQRKMBFK-WMZOPIPTSA-N 1 3 330.472 2.797 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)cn1 ZINC001276830947 1311150443 /nfs/dbraw/zinc/15/04/43/1311150443.db2.gz WXUBFILRKXAFRS-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)cn1 ZINC001276830947 1311150447 /nfs/dbraw/zinc/15/04/47/1311150447.db2.gz WXUBFILRKXAFRS-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO c1ccc([C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC23CNC3)cc1 ZINC001222596676 1311157738 /nfs/dbraw/zinc/15/77/38/1311157738.db2.gz ZSBKUDSUJJGPKC-FQEVSTJZSA-N 1 3 334.463 2.853 20 0 EFADHO c1ccc([C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC23CNC3)cc1 ZINC001222596676 1311157740 /nfs/dbraw/zinc/15/77/40/1311157740.db2.gz ZSBKUDSUJJGPKC-FQEVSTJZSA-N 1 3 334.463 2.853 20 0 EFADHO c1ccc([C@@H]2CN(CCc3ccc4c(c3)CCO4)CC23C[NH2+]C3)cc1 ZINC001222596676 1311157743 /nfs/dbraw/zinc/15/77/43/1311157743.db2.gz ZSBKUDSUJJGPKC-FQEVSTJZSA-N 1 3 334.463 2.853 20 0 EFADHO C[NH+]1CCC(C(=O)NC2CCC(NC/C(Cl)=C\Cl)CC2)CC1 ZINC001491359868 1311188065 /nfs/dbraw/zinc/18/80/65/1311188065.db2.gz AZBIUSIWBSCBGJ-JLHYYAGUSA-N 1 3 348.318 2.664 20 0 EFADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(N4CCC(O)CC4)s3)(C1)CCC2 ZINC001276864803 1311220190 /nfs/dbraw/zinc/22/01/90/1311220190.db2.gz JNAUHEZWNXQRQH-RBUKOAKNSA-N 1 3 349.544 2.864 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223164792 1311225458 /nfs/dbraw/zinc/22/54/58/1311225458.db2.gz SJFRNSYKNYAJLZ-GOSISDBHSA-N 1 3 341.515 2.827 20 0 EFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cnc1C ZINC001276869261 1311226047 /nfs/dbraw/zinc/22/60/47/1311226047.db2.gz BMZKPLHAYSOUGY-UXHICEINSA-N 1 3 330.520 2.785 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001223202221 1311229720 /nfs/dbraw/zinc/22/97/20/1311229720.db2.gz BJGKJPXXLSKFPZ-INIZCTEOSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223203083 1311230038 /nfs/dbraw/zinc/23/00/38/1311230038.db2.gz QTKYQIOQYYBKAY-QGZVFWFLSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364522 1311236854 /nfs/dbraw/zinc/23/68/54/1311236854.db2.gz VJQBJYXSZIERSP-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364522 1311236856 /nfs/dbraw/zinc/23/68/56/1311236856.db2.gz VJQBJYXSZIERSP-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364439 1311236939 /nfs/dbraw/zinc/23/69/39/1311236939.db2.gz UFCDUAJBTHTXMP-HHLIJEQFSA-N 1 3 347.547 2.855 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364439 1311236941 /nfs/dbraw/zinc/23/69/41/1311236941.db2.gz UFCDUAJBTHTXMP-HHLIJEQFSA-N 1 3 347.547 2.855 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364444 1311237446 /nfs/dbraw/zinc/23/74/46/1311237446.db2.gz UFCDUAJBTHTXMP-QMXIUASJSA-N 1 3 347.547 2.855 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364444 1311237449 /nfs/dbraw/zinc/23/74/49/1311237449.db2.gz UFCDUAJBTHTXMP-QMXIUASJSA-N 1 3 347.547 2.855 20 0 EFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CN(Cc3ccsc3)C[C@@]2(C)C1 ZINC001101435493 1311241465 /nfs/dbraw/zinc/24/14/65/1311241465.db2.gz RRYWTAQHHFVYBM-MJGOQNOKSA-N 1 3 349.544 2.760 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001047869791 1311242032 /nfs/dbraw/zinc/24/20/32/1311242032.db2.gz SAQCMUUXWZUTBK-WBVHZDCISA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001047869789 1311242207 /nfs/dbraw/zinc/24/22/07/1311242207.db2.gz SAQCMUUXWZUTBK-RDJZCZTQSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047870126 1311242238 /nfs/dbraw/zinc/24/22/38/1311242238.db2.gz UGCZPTFSHHXVSQ-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871753 1311244380 /nfs/dbraw/zinc/24/43/80/1311244380.db2.gz ZFYYKLVYTJBKDH-WMZOPIPTSA-N 1 3 333.520 2.798 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223379659 1311252715 /nfs/dbraw/zinc/25/27/15/1311252715.db2.gz XTTSBVUDIAXBAO-SJORKVTESA-N 1 3 335.517 2.513 20 0 EFADHO Cc1ccc(F)cc1CN1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223431395 1311259890 /nfs/dbraw/zinc/25/98/90/1311259890.db2.gz ZDQIOLGYDSTYAP-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO CCC/C=C\CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223464895 1311263755 /nfs/dbraw/zinc/26/37/55/1311263755.db2.gz CSEABSWTOJEGQV-LIXSYLKWSA-N 1 3 335.536 2.901 20 0 EFADHO CC1CCC(C[NH+]2CCC(CNC(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001223466372 1311264588 /nfs/dbraw/zinc/26/45/88/1311264588.db2.gz RIKNCYMWGSXRSA-NLPFYKDJSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)C2(N(C)C)CCC2)CC1 ZINC001223471859 1311264775 /nfs/dbraw/zinc/26/47/75/1311264775.db2.gz GNKCJPZKXOMHPF-QGZVFWFLSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CC3=CCCCC3)CC2)CCC1 ZINC001223472695 1311264807 /nfs/dbraw/zinc/26/48/07/1311264807.db2.gz SPNRFIBKCDORRE-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001223472138 1311264957 /nfs/dbraw/zinc/26/49/57/1311264957.db2.gz LXMGAKQXJAPQPF-SFHVURJKSA-N 1 3 335.536 2.591 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471565 1311265016 /nfs/dbraw/zinc/26/50/16/1311265016.db2.gz AUJSYHNTLULXMJ-QZTJIDSGSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471565 1311265019 /nfs/dbraw/zinc/26/50/19/1311265019.db2.gz AUJSYHNTLULXMJ-QZTJIDSGSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N(CC)CC ZINC001223489256 1311267795 /nfs/dbraw/zinc/26/77/95/1311267795.db2.gz LDXUDNOAEJICTQ-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N(CC)CC ZINC001223489256 1311267798 /nfs/dbraw/zinc/26/77/98/1311267798.db2.gz LDXUDNOAEJICTQ-QRVBRYPASA-N 1 3 335.536 2.830 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223506810 1311270214 /nfs/dbraw/zinc/27/02/14/1311270214.db2.gz LDMSVZHNFQOUBA-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001223506810 1311270217 /nfs/dbraw/zinc/27/02/17/1311270217.db2.gz LDMSVZHNFQOUBA-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1)N(C)C ZINC001223524367 1311272377 /nfs/dbraw/zinc/27/23/77/1311272377.db2.gz FHALLTJPJIAMCE-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1)N(C)C ZINC001223533391 1311272974 /nfs/dbraw/zinc/27/29/74/1311272974.db2.gz IIXYTZQCSYVNLV-SFHVURJKSA-N 1 3 337.552 2.837 20 0 EFADHO CCc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001223597132 1311280311 /nfs/dbraw/zinc/28/03/11/1311280311.db2.gz JKFRYBRXYOKKQJ-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+]([C@H]2CCc3ccccc32)CC1)N(C)C ZINC001223598164 1311280719 /nfs/dbraw/zinc/28/07/19/1311280719.db2.gz ZPUTZXNKPMTWPO-UXHICEINSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430043 1311309352 /nfs/dbraw/zinc/30/93/52/1311309352.db2.gz BNXPGFLVMQLFRT-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCCC1 ZINC001102430043 1311309356 /nfs/dbraw/zinc/30/93/56/1311309356.db2.gz BNXPGFLVMQLFRT-ZHALLVOQSA-N 1 3 335.536 2.735 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2CCc1cccs1 ZINC001276926047 1311310921 /nfs/dbraw/zinc/31/09/21/1311310921.db2.gz MQNCDOKOTGQQEC-APWZRJJASA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001102524939 1311315693 /nfs/dbraw/zinc/31/56/93/1311315693.db2.gz DVNYBRIZDANZBK-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C ZINC001102524939 1311315695 /nfs/dbraw/zinc/31/56/95/1311315695.db2.gz DVNYBRIZDANZBK-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001102524697 1311316575 /nfs/dbraw/zinc/31/65/75/1311316575.db2.gz RHTPYNDRZUKLAB-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2C)C[C@H]1C ZINC001102524697 1311316579 /nfs/dbraw/zinc/31/65/79/1311316579.db2.gz RHTPYNDRZUKLAB-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047974636 1311342286 /nfs/dbraw/zinc/34/22/86/1311342286.db2.gz DWIZBMOJDLKSOD-WMZOPIPTSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985431 1311351500 /nfs/dbraw/zinc/35/15/00/1311351500.db2.gz WYSXDVDLZAHNGG-IRXDYDNUSA-N 1 3 340.471 2.596 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047986900 1311352664 /nfs/dbraw/zinc/35/26/64/1311352664.db2.gz GJCANESYVPMLEB-MAUKXSAKSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048009490 1311367894 /nfs/dbraw/zinc/36/78/94/1311367894.db2.gz VBTUUXAQZIPBTM-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048010108 1311368418 /nfs/dbraw/zinc/36/84/18/1311368418.db2.gz YULUPPPUXTYRTM-FUHWJXTLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H](c1ccccc1F)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346340 1311378647 /nfs/dbraw/zinc/37/86/47/1311378647.db2.gz HEDHYSIURZMMFW-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)N(C)C ZINC001224403089 1311385511 /nfs/dbraw/zinc/38/55/11/1311385511.db2.gz WZRGCAWTBLMORN-QGZVFWFLSA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CC2CCCCC2)CC1)N(C)C ZINC001224403069 1311385615 /nfs/dbraw/zinc/38/56/15/1311385615.db2.gz VVQUQUQYMSJZRB-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC[NH+](CCC2CCCC2)CC1)N(C)C ZINC001224402498 1311385875 /nfs/dbraw/zinc/38/58/75/1311385875.db2.gz KJNDYGUKTGRPAE-LJQANCHMSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NCC1CCN(C[C@@H](F)CC)CC1)[NH+](CC)CC ZINC001224496096 1311398721 /nfs/dbraw/zinc/39/87/21/1311398721.db2.gz NNWMMFSJIVZGMF-DLBZAZTESA-N 1 3 329.504 2.683 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001224536635 1311404671 /nfs/dbraw/zinc/40/46/71/1311404671.db2.gz LWJJMVDURJRETE-MRXNPFEDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224536689 1311404772 /nfs/dbraw/zinc/40/47/72/1311404772.db2.gz NIEJJZFWSCXJNK-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001224546122 1311405297 /nfs/dbraw/zinc/40/52/97/1311405297.db2.gz IMLDUMZINWCOSC-SFHVURJKSA-N 1 3 343.515 2.665 20 0 EFADHO CC(C)C[NH+]1CCC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224558274 1311406861 /nfs/dbraw/zinc/40/68/61/1311406861.db2.gz DPCZGXVBYBBLLQ-LJQANCHMSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001224559451 1311407241 /nfs/dbraw/zinc/40/72/41/1311407241.db2.gz OCZZFXBQTRUQAW-QGZVFWFLSA-N 1 3 333.520 2.657 20 0 EFADHO CCCC[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224559602 1311407474 /nfs/dbraw/zinc/40/74/74/1311407474.db2.gz PLNSDQYFMGZKEO-IBGZPJMESA-N 1 3 341.515 2.827 20 0 EFADHO CCC/C=C/CC[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224560494 1311407563 /nfs/dbraw/zinc/40/75/63/1311407563.db2.gz VFZQYWQZXAVKMV-DUMMIQTOSA-N 1 3 335.536 2.903 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001224583238 1311410712 /nfs/dbraw/zinc/41/07/12/1311410712.db2.gz NFESQKWIODXALY-IBGZPJMESA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001224582790 1311410722 /nfs/dbraw/zinc/41/07/22/1311410722.db2.gz AUIGPNGLWCCWLJ-WMZOPIPTSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001224583045 1311410983 /nfs/dbraw/zinc/41/09/83/1311410983.db2.gz JEXGYKIMQPWXNA-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001048059337 1311418725 /nfs/dbraw/zinc/41/87/25/1311418725.db2.gz RKSHMUAGQYIJET-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001048062145 1311420540 /nfs/dbraw/zinc/42/05/40/1311420540.db2.gz COQOHWFCIQVBDE-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC001048063703 1311420754 /nfs/dbraw/zinc/42/07/54/1311420754.db2.gz FLOMVYFUXBGJPB-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001224738749 1311428960 /nfs/dbraw/zinc/42/89/60/1311428960.db2.gz CYQZEOBIFLYXAE-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO c1ccc(CN2CCOC[C@H](OCCC[NH+]3CCCCC3)C2)cc1 ZINC001224858579 1311443732 /nfs/dbraw/zinc/44/37/32/1311443732.db2.gz DMNFWIIUFPWOCC-HXUWFJFHSA-N 1 3 332.488 2.780 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884449 1311446400 /nfs/dbraw/zinc/44/64/00/1311446400.db2.gz VCJWQCCXNUWUHE-ROUUACIJSA-N 1 3 343.531 2.929 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC001224894296 1311447854 /nfs/dbraw/zinc/44/78/54/1311447854.db2.gz JUUQKUBCKLAZFZ-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC001224911683 1311449665 /nfs/dbraw/zinc/44/96/65/1311449665.db2.gz RJNNJEQMAUOJJZ-UHFFFAOYSA-N 1 3 345.531 2.708 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CCc2ccccc2F)CC1 ZINC001224911685 1311449671 /nfs/dbraw/zinc/44/96/71/1311449671.db2.gz RMZOTJCWLLHAQX-UHFFFAOYSA-N 1 3 349.494 2.538 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(CNC(=O)CN(CC)CC)CC1 ZINC001224911945 1311449747 /nfs/dbraw/zinc/44/97/47/1311449747.db2.gz YGOBTLYAXJKPRS-UHFFFAOYSA-N 1 3 345.531 2.919 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001159155139 1311462269 /nfs/dbraw/zinc/46/22/69/1311462269.db2.gz JXYUYYGTKUXGQG-WMLDXEAASA-N 1 3 341.446 2.663 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001225285716 1311500927 /nfs/dbraw/zinc/50/09/27/1311500927.db2.gz PQLNNURAWPOOJW-OAHLLOKOSA-N 1 3 334.508 2.771 20 0 EFADHO CCc1nccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460732 1311520720 /nfs/dbraw/zinc/52/07/20/1311520720.db2.gz MFXQNKUGUIYUMX-UHFFFAOYSA-N 1 3 349.482 2.949 20 0 EFADHO Cc1ccnnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159460307 1311520911 /nfs/dbraw/zinc/52/09/11/1311520911.db2.gz RXQGEMUVRUOWBJ-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO C[C@@H](Nc1nc(N2CCCC2)cc2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001159502170 1311528357 /nfs/dbraw/zinc/52/83/57/1311528357.db2.gz LOXYEDFEHHUGRP-RHSMWYFYSA-N 1 3 326.444 2.624 20 0 EFADHO C[C@H](Nc1nc(N2CCCC2)cc2ccccc21)[C@H]1C[NH2+]CCO1 ZINC001159502172 1311528444 /nfs/dbraw/zinc/52/84/44/1311528444.db2.gz LOXYEDFEHHUGRP-WMLDXEAASA-N 1 3 326.444 2.624 20 0 EFADHO CN1CCN(Cc2ccc(Nc3ccc4c(c3)CC[NH2+]C4)cc2)CC1 ZINC001159508676 1311530126 /nfs/dbraw/zinc/53/01/26/1311530126.db2.gz RFRKLGUSGMBKKC-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225541499 1311539972 /nfs/dbraw/zinc/53/99/72/1311539972.db2.gz FHNGQQFSRFNDOU-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO NCc1cc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)ncn1 ZINC001159560867 1311541941 /nfs/dbraw/zinc/54/19/41/1311541941.db2.gz JALIFGLHNBFQLV-SOTJZCEJSA-N 1 3 337.471 2.568 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159581976 1311545008 /nfs/dbraw/zinc/54/50/08/1311545008.db2.gz YWJQRIGGRPCWEE-FXAWDEMLSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159581976 1311545013 /nfs/dbraw/zinc/54/50/13/1311545013.db2.gz YWJQRIGGRPCWEE-FXAWDEMLSA-N 1 3 341.499 2.980 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001159581244 1311545248 /nfs/dbraw/zinc/54/52/48/1311545248.db2.gz KUAXPNRLNVDJPJ-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001159581244 1311545250 /nfs/dbraw/zinc/54/52/50/1311545250.db2.gz KUAXPNRLNVDJPJ-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001225578563 1311546756 /nfs/dbraw/zinc/54/67/56/1311546756.db2.gz XMBYPMDTLVTTCT-YFHOEESVSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001225582780 1311548141 /nfs/dbraw/zinc/54/81/41/1311548141.db2.gz UEOBQCKSTQRDDQ-QGZVFWFLSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001225582694 1311548155 /nfs/dbraw/zinc/54/81/55/1311548155.db2.gz PYCXDGZMZZMVJN-FQEVSTJZSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3C)C2)CC[N@@H+]1C ZINC001014505533 1311548150 /nfs/dbraw/zinc/54/81/50/1311548150.db2.gz CKNSTJDEZTXWMX-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C)cc3C)C2)CC[N@H+]1C ZINC001014505533 1311548153 /nfs/dbraw/zinc/54/81/53/1311548153.db2.gz CKNSTJDEZTXWMX-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001225582338 1311548204 /nfs/dbraw/zinc/54/82/04/1311548204.db2.gz KNHYXTQIHMWTGS-INIZCTEOSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001014506898 1311548784 /nfs/dbraw/zinc/54/87/84/1311548784.db2.gz IFCVETPMUWDJHX-OKZBNKHCSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001014506898 1311548788 /nfs/dbraw/zinc/54/87/88/1311548788.db2.gz IFCVETPMUWDJHX-OKZBNKHCSA-N 1 3 349.544 2.602 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001159628538 1311555256 /nfs/dbraw/zinc/55/52/56/1311555256.db2.gz LODOODDOWQEKPT-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001159628538 1311555260 /nfs/dbraw/zinc/55/52/60/1311555260.db2.gz LODOODDOWQEKPT-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cc(CN2CCC3(C2)CCN(c2cc[nH+]c(C)c2)CC3)n(C)n1 ZINC001277064154 1311564677 /nfs/dbraw/zinc/56/46/77/1311564677.db2.gz GGSACQDCDXBBCG-UHFFFAOYSA-N 1 3 339.487 2.924 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159845795 1311596071 /nfs/dbraw/zinc/59/60/71/1311596071.db2.gz HAKVUOJVPBSKER-UHFFFAOYSA-N 1 3 347.503 2.554 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CCC1 ZINC001159854762 1311597263 /nfs/dbraw/zinc/59/72/63/1311597263.db2.gz SMGCXYIQWAPIOO-GOSISDBHSA-N 1 3 347.478 2.783 20 0 EFADHO CCCOc1cccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159854232 1311597535 /nfs/dbraw/zinc/59/75/35/1311597535.db2.gz NHVLDJWPVNDDRV-UHFFFAOYSA-N 1 3 347.503 2.556 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001159861870 1311598583 /nfs/dbraw/zinc/59/85/83/1311598583.db2.gz SWUUMFSNVHNGRT-QGZVFWFLSA-N 1 3 331.504 2.945 20 0 EFADHO [NH3+]C1CCN(c2cccc(N[C@@H]3CCc4ccc(O)cc4C3)n2)CC1 ZINC001159892168 1311604014 /nfs/dbraw/zinc/60/40/14/1311604014.db2.gz BWGVBDDGTHRKNW-QGZVFWFLSA-N 1 3 338.455 2.684 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048255171 1311607403 /nfs/dbraw/zinc/60/74/03/1311607403.db2.gz HWYBOFNNWFIIHE-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001159915797 1311607695 /nfs/dbraw/zinc/60/76/95/1311607695.db2.gz NXUVEYJNKCDBES-IBGZPJMESA-N 1 3 345.531 2.920 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001159915323 1311607757 /nfs/dbraw/zinc/60/77/57/1311607757.db2.gz JNWDLJCKQPFMRP-GUYCJALGSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001159917124 1311608749 /nfs/dbraw/zinc/60/87/49/1311608749.db2.gz VQANYRJGGBPNHN-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC/C=C/c1ccccc1)C1CC1 ZINC001159931506 1311611605 /nfs/dbraw/zinc/61/16/05/1311611605.db2.gz FCBGUVOIGSMEGO-NJGYHNCTSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c1 ZINC001159931659 1311611641 /nfs/dbraw/zinc/61/16/41/1311611641.db2.gz HSDUAEQDLNQKHC-LPHOPBHVSA-N 1 3 331.504 2.801 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC001159931820 1311611832 /nfs/dbraw/zinc/61/18/32/1311611832.db2.gz JKCJPSCNVARLAI-HXUWFJFHSA-N 1 3 339.483 2.776 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc2c(c1)CCC2 ZINC001159932450 1311612002 /nfs/dbraw/zinc/61/20/02/1311612002.db2.gz RQLOGSKIKJHYCV-MGPUTAFESA-N 1 3 343.515 2.672 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226170923 1311624069 /nfs/dbraw/zinc/62/40/69/1311624069.db2.gz SZGMTLWAKXMMOU-PCXNWDQESA-N 1 3 327.900 2.629 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)C1CCC1 ZINC001159997313 1311626157 /nfs/dbraw/zinc/62/61/57/1311626157.db2.gz LLXIPZDUZSBWRY-HWKANZROSA-N 1 3 349.906 2.933 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1)C1CCC1 ZINC001159997079 1311626173 /nfs/dbraw/zinc/62/61/73/1311626173.db2.gz FFRZTFCWBBWXIT-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CN(C)C2CCC2)c1 ZINC001160003128 1311626353 /nfs/dbraw/zinc/62/63/53/1311626353.db2.gz DMCVHMRYLCZNGV-QGZVFWFLSA-N 1 3 331.504 2.945 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccccc1Cl ZINC001160003089 1311626756 /nfs/dbraw/zinc/62/67/56/1311626756.db2.gz CJJRELRNVGYIAH-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048275057 1311628006 /nfs/dbraw/zinc/62/80/06/1311628006.db2.gz BYCKIRFKVAAAQO-AEFFLSMTSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001048274928 1311628211 /nfs/dbraw/zinc/62/82/11/1311628211.db2.gz AJWMZNUHNHHXHJ-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001048276451 1311629098 /nfs/dbraw/zinc/62/90/98/1311629098.db2.gz HSLNTCHEDRNRNF-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048278526 1311631869 /nfs/dbraw/zinc/63/18/69/1311631869.db2.gz YDRSUJRCBWLWLQ-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001048281068 1311633413 /nfs/dbraw/zinc/63/34/13/1311633413.db2.gz QQRIABINWIKPDE-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630132 1311634347 /nfs/dbraw/zinc/63/43/47/1311634347.db2.gz MNWFMLHZESOBFG-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001014630132 1311634352 /nfs/dbraw/zinc/63/43/52/1311634352.db2.gz MNWFMLHZESOBFG-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631876 1311635648 /nfs/dbraw/zinc/63/56/48/1311635648.db2.gz PBZDOFZUNZOAFO-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001014631876 1311635653 /nfs/dbraw/zinc/63/56/53/1311635653.db2.gz PBZDOFZUNZOAFO-UXHICEINSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001014633743 1311636028 /nfs/dbraw/zinc/63/60/28/1311636028.db2.gz SUJUPIMVKZWSQZ-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2C)C1 ZINC001014633743 1311636032 /nfs/dbraw/zinc/63/60/32/1311636032.db2.gz SUJUPIMVKZWSQZ-RBUKOAKNSA-N 1 3 329.488 2.560 20 0 EFADHO [NH3+]CCc1cc2ccccc2n1-c1cc(Cl)nc2c1CCNC2 ZINC001160126271 1311649119 /nfs/dbraw/zinc/64/91/19/1311649119.db2.gz NZYYSYLCRCBDDO-UHFFFAOYSA-N 1 3 326.831 2.826 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)C1CC1 ZINC001160359846 1311696085 /nfs/dbraw/zinc/69/60/85/1311696085.db2.gz CQKDGIFREZOKGS-SFHVURJKSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)C1CC1 ZINC001160359846 1311696088 /nfs/dbraw/zinc/69/60/88/1311696088.db2.gz CQKDGIFREZOKGS-SFHVURJKSA-N 1 3 335.536 2.901 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000902385390 1311696123 /nfs/dbraw/zinc/69/61/23/1311696123.db2.gz TYRWDLKJWUDOCS-UONOGXRCSA-N 1 3 349.441 2.688 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001160420420 1311706526 /nfs/dbraw/zinc/70/65/26/1311706526.db2.gz FKXHKJRRHRPAPA-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cc(F)ccc1Cl)N(C)C ZINC001160421517 1311706556 /nfs/dbraw/zinc/70/65/56/1311706556.db2.gz TZYPRLAIWQHTGI-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1Cl)N(C)C ZINC001160427908 1311707465 /nfs/dbraw/zinc/70/74/65/1311707465.db2.gz XLQHUWZAVOKGNC-INIZCTEOSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001160426930 1311707495 /nfs/dbraw/zinc/70/74/95/1311707495.db2.gz KIOGGVZOSVBHIE-INIZCTEOSA-N 1 3 325.884 2.522 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001160455368 1311712872 /nfs/dbraw/zinc/71/28/72/1311712872.db2.gz WCAKRKRZPJYOJN-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CN1CCc2nc(Cl)nc(-n3ccc4cccc(C[NH3+])c43)c2C1 ZINC001160459884 1311714168 /nfs/dbraw/zinc/71/41/68/1311714168.db2.gz VJWFVRBOYMOYOL-UHFFFAOYSA-N 1 3 327.819 2.521 20 0 EFADHO C[C@H]([NH2+]CC1(N)CC1)c1ccc(F)c(I)c1 ZINC000902406156 1311716563 /nfs/dbraw/zinc/71/65/63/1311716563.db2.gz MBVOKQSXMCDRRK-QMMMGPOBSA-N 1 3 334.176 2.572 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2cccs2)CCC1 ZINC001226766251 1311720098 /nfs/dbraw/zinc/72/00/98/1311720098.db2.gz KLYXNONFNSFZJS-IAGOWNOFSA-N 1 3 349.544 2.792 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2)CCC1 ZINC001226767816 1311720116 /nfs/dbraw/zinc/72/01/16/1311720116.db2.gz XOZOHUQDNDUECP-RTBURBONSA-N 1 3 343.515 2.730 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001160519025 1311726416 /nfs/dbraw/zinc/72/64/16/1311726416.db2.gz VKFBTJFGLMCHEH-HNNXBMFYSA-N 1 3 327.488 2.603 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001160519025 1311726418 /nfs/dbraw/zinc/72/64/18/1311726418.db2.gz VKFBTJFGLMCHEH-HNNXBMFYSA-N 1 3 327.488 2.603 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001048385346 1311730968 /nfs/dbraw/zinc/73/09/68/1311730968.db2.gz ANHPHPVWODITCA-RDJZCZTQSA-N 1 3 349.544 2.664 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCCCC1 ZINC001048388136 1311733038 /nfs/dbraw/zinc/73/30/38/1311733038.db2.gz VCRYTNKEUMBWSX-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001048388838 1311733806 /nfs/dbraw/zinc/73/38/06/1311733806.db2.gz XZXMZBKBBLSAAH-AEFFLSMTSA-N 1 3 335.536 2.593 20 0 EFADHO O=C(NCCC1=CC[N@H+](C/C=C/Cl)CC1)c1ccn2cncc2c1 ZINC001160617862 1311746564 /nfs/dbraw/zinc/74/65/64/1311746564.db2.gz XFVZUNJDVDYHOI-LZCJLJQNSA-N 1 3 344.846 2.839 20 0 EFADHO O=C(NCCC1=CC[N@@H+](C/C=C/Cl)CC1)c1ccn2cncc2c1 ZINC001160617862 1311746567 /nfs/dbraw/zinc/74/65/67/1311746567.db2.gz XFVZUNJDVDYHOI-LZCJLJQNSA-N 1 3 344.846 2.839 20 0 EFADHO Cc1nc(N(Cc2ccccc2)C[C@H](C)C[NH3+])cc(N2CCCC2)n1 ZINC001160660174 1311753318 /nfs/dbraw/zinc/75/33/18/1311753318.db2.gz HLAXCBJXKRXUGD-MRXNPFEDSA-N 1 3 339.487 2.987 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1)N(C)C ZINC001227048000 1311755736 /nfs/dbraw/zinc/75/57/36/1311755736.db2.gz QGEVKLMPHVDRCM-GUDVDZBRSA-N 1 3 331.504 2.852 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)N(C)C ZINC001227056756 1311756468 /nfs/dbraw/zinc/75/64/68/1311756468.db2.gz KKQZLQGZXHPYTG-BRWVUGGUSA-N 1 3 337.533 2.648 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)Cc1csc(C(C)C)n1 ZINC001160671778 1311756567 /nfs/dbraw/zinc/75/65/67/1311756567.db2.gz DFRLIJDSHQVMDV-HNNXBMFYSA-N 1 3 340.537 2.721 20 0 EFADHO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001160680865 1311757843 /nfs/dbraw/zinc/75/78/43/1311757843.db2.gz WKGCEGJWJNYMIH-YLJYHZDGSA-N 1 3 337.467 2.637 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001160688947 1311760661 /nfs/dbraw/zinc/76/06/61/1311760661.db2.gz QXUALXHRNUNOFI-OAHLLOKOSA-N 1 3 344.286 2.938 20 0 EFADHO CC(C)(C)NC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001277183490 1311766383 /nfs/dbraw/zinc/76/63/83/1311766383.db2.gz OJLRRNQOAUVBRI-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001227157997 1311769629 /nfs/dbraw/zinc/76/96/29/1311769629.db2.gz BLLIJPUYOIHYIZ-IAGOWNOFSA-N 1 3 346.519 2.637 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NCc1ncccc1C ZINC001227157997 1311769631 /nfs/dbraw/zinc/76/96/31/1311769631.db2.gz BLLIJPUYOIHYIZ-IAGOWNOFSA-N 1 3 346.519 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC001227164767 1311771045 /nfs/dbraw/zinc/77/10/45/1311771045.db2.gz GJDLDQNTTMFJSP-QZTJIDSGSA-N 1 3 331.504 2.934 20 0 EFADHO FC(F)(F)[C@H]1C[NH2+]CC[C@H]1Nc1ncccc1CN1CCCC1 ZINC001160747360 1311773337 /nfs/dbraw/zinc/77/33/37/1311773337.db2.gz ISUNLAKZFWYILH-UONOGXRCSA-N 1 3 328.382 2.630 20 0 EFADHO COc1cccc2c1c(C[NH3+])cn2-c1cc(Cl)nc2c1CCNC2 ZINC001160765432 1311776936 /nfs/dbraw/zinc/77/69/36/1311776936.db2.gz UWIUWAYVTHDGOR-UHFFFAOYSA-N 1 3 342.830 2.792 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001160882944 1311802721 /nfs/dbraw/zinc/80/27/21/1311802721.db2.gz BPCVILFSDJPUEZ-OAHLLOKOSA-N 1 3 345.409 2.642 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cccc(Cl)c1Cl)N(C)C ZINC001160883675 1311803291 /nfs/dbraw/zinc/80/32/91/1311803291.db2.gz SLTSZRXJOJUPLJ-CQSZACIVSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1cc2ccccc2s1)N(C)C ZINC001160883871 1311803338 /nfs/dbraw/zinc/80/33/38/1311803338.db2.gz XCZMBXDULWBQLU-MRXNPFEDSA-N 1 3 333.501 2.837 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001160889491 1311803532 /nfs/dbraw/zinc/80/35/32/1311803532.db2.gz KVNXATXWVIWQSH-CZUORRHYSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001160889466 1311803633 /nfs/dbraw/zinc/80/36/33/1311803633.db2.gz KEECBIAIIXFYKU-LJQANCHMSA-N 1 3 327.472 2.776 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCc2c3ccccc3oc2C1 ZINC001160889958 1311803674 /nfs/dbraw/zinc/80/36/74/1311803674.db2.gz HNEVIXLIASENEM-KRWDZBQOSA-N 1 3 343.471 2.813 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001160889492 1311803761 /nfs/dbraw/zinc/80/37/61/1311803761.db2.gz KVNXATXWVIWQSH-XJKSGUPXSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248763460 1311810019 /nfs/dbraw/zinc/81/00/19/1311810019.db2.gz RBVBWJFFZOTMAO-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248763460 1311810022 /nfs/dbraw/zinc/81/00/22/1311810022.db2.gz RBVBWJFFZOTMAO-UXHICEINSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248763465 1311810235 /nfs/dbraw/zinc/81/02/35/1311810235.db2.gz RBVBWJFFZOTMAO-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248763465 1311810237 /nfs/dbraw/zinc/81/02/37/1311810237.db2.gz RBVBWJFFZOTMAO-WOJBJXKFSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001014956578 1311820959 /nfs/dbraw/zinc/82/09/59/1311820959.db2.gz WAKNNXUUTQPUDK-WMZOPIPTSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001014956578 1311820960 /nfs/dbraw/zinc/82/09/60/1311820960.db2.gz WAKNNXUUTQPUDK-WMZOPIPTSA-N 1 3 341.455 2.608 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl)[C@H](C1CC1)N1CCCC1 ZINC001227704424 1311842549 /nfs/dbraw/zinc/84/25/49/1311842549.db2.gz YQKFUFJUTQLDHE-NGULXGNBSA-N 1 3 339.911 2.630 20 0 EFADHO CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001161050428 1311846654 /nfs/dbraw/zinc/84/66/54/1311846654.db2.gz MYULCGPXPFSRMU-RBUKOAKNSA-N 1 3 345.531 2.795 20 0 EFADHO CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@H](N)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001161050428 1311846657 /nfs/dbraw/zinc/84/66/57/1311846657.db2.gz MYULCGPXPFSRMU-RBUKOAKNSA-N 1 3 345.531 2.795 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161051402 1311846757 /nfs/dbraw/zinc/84/67/57/1311846757.db2.gz VCGHWUMFLTVRTO-QRVBRYPASA-N 1 3 329.488 2.811 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161051402 1311846761 /nfs/dbraw/zinc/84/67/61/1311846761.db2.gz VCGHWUMFLTVRTO-QRVBRYPASA-N 1 3 329.488 2.811 20 0 EFADHO CN(C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161064351 1311850599 /nfs/dbraw/zinc/85/05/99/1311850599.db2.gz PMLSGMAZCPTWCT-KSZLIROESA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001227797229 1311857552 /nfs/dbraw/zinc/85/75/52/1311857552.db2.gz DOPWZVHPLVHEEA-OXJNMPFZSA-N 1 3 343.515 2.977 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC001227818311 1311860558 /nfs/dbraw/zinc/86/05/58/1311860558.db2.gz UQAZNNWFBVLSHF-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCc2ccsc2)CC1)C1CC1 ZINC001227818288 1311860569 /nfs/dbraw/zinc/86/05/69/1311860569.db2.gz TTZHMYXJXWWQHS-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048525971 1311862507 /nfs/dbraw/zinc/86/25/07/1311862507.db2.gz HKBKDCNWNYGCPK-RDGPPVDQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048525971 1311862510 /nfs/dbraw/zinc/86/25/10/1311862510.db2.gz HKBKDCNWNYGCPK-RDGPPVDQSA-N 1 3 333.520 2.628 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC001227833467 1311863643 /nfs/dbraw/zinc/86/36/43/1311863643.db2.gz ZQVDSKBMUGNHRQ-UHFFFAOYSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527494 1311863934 /nfs/dbraw/zinc/86/39/34/1311863934.db2.gz QWVBDDZHFPGEJX-FCGDIQPGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)C2 ZINC001048527494 1311863940 /nfs/dbraw/zinc/86/39/40/1311863940.db2.gz QWVBDDZHFPGEJX-FCGDIQPGSA-N 1 3 335.536 2.874 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001048531618 1311869316 /nfs/dbraw/zinc/86/93/16/1311869316.db2.gz VFNRLWJQTIECAN-XMTFNYHQSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001048531618 1311869317 /nfs/dbraw/zinc/86/93/17/1311869317.db2.gz VFNRLWJQTIECAN-XMTFNYHQSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)cc1C ZINC001227899361 1311871060 /nfs/dbraw/zinc/87/10/60/1311871060.db2.gz FHHQYBPBPMZPHE-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(CC[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001227899807 1311871380 /nfs/dbraw/zinc/87/13/80/1311871380.db2.gz JGTPXNYUPHKIMG-FQEVSTJZSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC001227908478 1311872105 /nfs/dbraw/zinc/87/21/05/1311872105.db2.gz OUXVYZNXIYFRKO-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(CN(C(=O)[C@H]2CNC[C@@H](F)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395545 1311878071 /nfs/dbraw/zinc/87/80/71/1311878071.db2.gz FSLRXALYEIONNS-FCGDIQPGSA-N 1 3 347.478 2.541 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC001161413876 1311882355 /nfs/dbraw/zinc/88/23/55/1311882355.db2.gz RREZGJOTRYQJSL-JQWOWJDXSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC001227980760 1311883489 /nfs/dbraw/zinc/88/34/89/1311883489.db2.gz VYQVNWVWXOGDSA-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2c(C)cccc2C)CC1)N(C)C ZINC001227980918 1311883585 /nfs/dbraw/zinc/88/35/85/1311883585.db2.gz YHECUNXTGZMLGW-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1)N(C)C ZINC001227980755 1311883644 /nfs/dbraw/zinc/88/36/44/1311883644.db2.gz VYIRXVXIVZGGIL-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2ccccc2C)CC1)N(C)C ZINC001227986240 1311884740 /nfs/dbraw/zinc/88/47/40/1311884740.db2.gz BPXVVYFDRMYRMF-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1)N(C)C ZINC001227987029 1311884771 /nfs/dbraw/zinc/88/47/71/1311884771.db2.gz QAEOUICUQBZDJI-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1)N(C)C ZINC001227987081 1311884798 /nfs/dbraw/zinc/88/47/98/1311884798.db2.gz RGSDKCHVCDNPGD-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CC2CCC3(CC3)CC2)CC1)N(C)C ZINC001227986938 1311884876 /nfs/dbraw/zinc/88/48/76/1311884876.db2.gz PQIKXXHEXOGMLC-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001161436538 1311888812 /nfs/dbraw/zinc/88/88/12/1311888812.db2.gz LAKTZRCRPLVEFW-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)CCN(C(=O)Cc1ccc(C(C)(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC001161442672 1311890666 /nfs/dbraw/zinc/89/06/66/1311890666.db2.gz DUYNLACEWNXKKC-IBGZPJMESA-N 1 3 345.531 2.669 20 0 EFADHO CN(C)CCN(C(=O)CCCCc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC001161442821 1311890872 /nfs/dbraw/zinc/89/08/72/1311890872.db2.gz HNTAPECADMLPDF-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO CC(C)c1ccc(CCC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001161442771 1311891026 /nfs/dbraw/zinc/89/10/26/1311891026.db2.gz GPGFDMYROXTEQT-HXUWFJFHSA-N 1 3 345.531 2.885 20 0 EFADHO CCC1(C(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)CCC(F)(F)CC1 ZINC001161449330 1311892158 /nfs/dbraw/zinc/89/21/58/1311892158.db2.gz LUNZLOXZFFEOQJ-HNNXBMFYSA-N 1 3 345.478 2.734 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCC[NH2+]C1 ZINC001161449725 1311892753 /nfs/dbraw/zinc/89/27/53/1311892753.db2.gz QUIKWTKDFMZQSX-CQSZACIVSA-N 1 3 337.533 2.801 20 0 EFADHO CN(C)CCN(C(=O)c1ccc2ccccc2c1F)[C@H]1CCC[NH2+]C1 ZINC001161452356 1311893021 /nfs/dbraw/zinc/89/30/21/1311893021.db2.gz QDPJBLQIGOHKMF-INIZCTEOSA-N 1 3 343.446 2.735 20 0 EFADHO C[C@@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001161487736 1311898350 /nfs/dbraw/zinc/89/83/50/1311898350.db2.gz ICWJTURSHJJCHS-CJNGLKHVSA-N 1 3 344.286 2.971 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001161496999 1311900954 /nfs/dbraw/zinc/90/09/54/1311900954.db2.gz NTDAJGRNSLUGGB-UHFFFAOYSA-N 1 3 341.515 2.997 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161496999 1311900956 /nfs/dbraw/zinc/90/09/56/1311900956.db2.gz NTDAJGRNSLUGGB-UHFFFAOYSA-N 1 3 341.515 2.997 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001161504961 1311903158 /nfs/dbraw/zinc/90/31/58/1311903158.db2.gz VXNVUPQYBCVMCF-UHFFFAOYSA-N 1 3 349.544 2.771 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001161504961 1311903162 /nfs/dbraw/zinc/90/31/62/1311903162.db2.gz VXNVUPQYBCVMCF-UHFFFAOYSA-N 1 3 349.544 2.771 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015088928 1311903683 /nfs/dbraw/zinc/90/36/83/1311903683.db2.gz GBNRQSROAMQWKQ-IEBWSBKVSA-N 1 3 341.499 2.875 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089593 1311904384 /nfs/dbraw/zinc/90/43/84/1311904384.db2.gz KZEWCDYLWKGAMG-RTBURBONSA-N 1 3 341.499 2.957 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091558 1311905639 /nfs/dbraw/zinc/90/56/39/1311905639.db2.gz WYQWYKWANBPEGO-MSOLQXFVSA-N 1 3 341.499 2.875 20 0 EFADHO Cc1nc(N2CCCC2)cc(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161569162 1311918298 /nfs/dbraw/zinc/91/82/98/1311918298.db2.gz DDDOGXHMGZMYRF-UHFFFAOYSA-N 1 3 329.492 2.873 20 0 EFADHO Cc1cc2ccccc2c(N[C@H]2CC[C@H](NC(=O)CN(C)C)CC2)[nH+]1 ZINC001161669802 1311946820 /nfs/dbraw/zinc/94/68/20/1311946820.db2.gz JAHNCOKELKZVRC-QAQDUYKDSA-N 1 3 340.471 2.944 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1)N(C)C ZINC001228444585 1311948954 /nfs/dbraw/zinc/94/89/54/1311948954.db2.gz DUZULRJEAGOFHO-GUDVDZBRSA-N 1 3 331.504 2.790 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1 ZINC001161785394 1311972097 /nfs/dbraw/zinc/97/20/97/1311972097.db2.gz PITHAEYKCBXKJB-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1 ZINC001161785394 1311972100 /nfs/dbraw/zinc/97/21/00/1311972100.db2.gz PITHAEYKCBXKJB-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F)N(C)C ZINC001228661866 1311977815 /nfs/dbraw/zinc/97/78/15/1311977815.db2.gz YKKZLZKXJDKWMG-QRVBRYPASA-N 1 3 349.494 2.725 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001161953646 1312012179 /nfs/dbraw/zinc/01/21/79/1312012179.db2.gz ZAYPQXBOCFDRJL-AEFFLSMTSA-N 1 3 339.499 2.747 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161953646 1312012182 /nfs/dbraw/zinc/01/21/82/1312012182.db2.gz ZAYPQXBOCFDRJL-AEFFLSMTSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@@H](F)CN1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953044 1312012757 /nfs/dbraw/zinc/01/27/57/1312012757.db2.gz OZBOCOLNNBTDHU-QZTJIDSGSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@@H](F)CN1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001161953044 1312012761 /nfs/dbraw/zinc/01/27/61/1312012761.db2.gz OZBOCOLNNBTDHU-QZTJIDSGSA-N 1 3 339.499 2.747 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904354 1312017442 /nfs/dbraw/zinc/01/74/42/1312017442.db2.gz AKCOEEBYKFCEJM-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO COc1cccc(C2(Nc3cc(N(C)C)nc(C)n3)CC[NH2+]CC2)c1 ZINC001161992104 1312024128 /nfs/dbraw/zinc/02/41/28/1312024128.db2.gz JWTORLGRWGKKQV-UHFFFAOYSA-N 1 3 341.459 2.550 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@H]2CCc3c2cccc3Cl)CC1 ZINC001228999787 1312033821 /nfs/dbraw/zinc/03/38/21/1312033821.db2.gz VUTQSRAHRWPALP-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001229181243 1312057988 /nfs/dbraw/zinc/05/79/88/1312057988.db2.gz TURCXNOBFSTIOC-IAGOWNOFSA-N 1 3 329.504 2.875 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)OC ZINC001229180474 1312058236 /nfs/dbraw/zinc/05/82/36/1312058236.db2.gz JGKPIHOFJBMEIV-RCCFBDPRSA-N 1 3 341.540 2.550 20 0 EFADHO [NH3+]C1CCN(c2cccc(NCC3(c4ncccc4F)CC3)n2)CC1 ZINC001162164527 1312060235 /nfs/dbraw/zinc/06/02/35/1312060235.db2.gz XBNFENCCLWWVLN-UHFFFAOYSA-N 1 3 341.434 2.687 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001229201461 1312060871 /nfs/dbraw/zinc/06/08/71/1312060871.db2.gz DXMRFNYPNWOZMX-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC001229230499 1312064586 /nfs/dbraw/zinc/06/45/86/1312064586.db2.gz IPLZEYKIHMAEFX-RTBURBONSA-N 1 3 346.519 2.557 20 0 EFADHO CCc1ccc(CC[NH+]2CCC(NC(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001229253903 1312068458 /nfs/dbraw/zinc/06/84/58/1312068458.db2.gz NIHNRDXXCKZVKP-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO CN(C)CCC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001229305449 1312075407 /nfs/dbraw/zinc/07/54/07/1312075407.db2.gz YDPRCWHZFNRBNR-YRWFTTLQSA-N 1 3 330.472 2.930 20 0 EFADHO CN(C)CCC(=O)c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001229305449 1312075411 /nfs/dbraw/zinc/07/54/11/1312075411.db2.gz YDPRCWHZFNRBNR-YRWFTTLQSA-N 1 3 330.472 2.930 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001015386114 1312088705 /nfs/dbraw/zinc/08/87/05/1312088705.db2.gz GUFSUDRYSRKMTN-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390504 1312091068 /nfs/dbraw/zinc/09/10/68/1312091068.db2.gz CZLGJWLRBFNQQZ-RBUKOAKNSA-N 1 3 345.531 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390504 1312091070 /nfs/dbraw/zinc/09/10/70/1312091070.db2.gz CZLGJWLRBFNQQZ-RBUKOAKNSA-N 1 3 345.531 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001229503876 1312107103 /nfs/dbraw/zinc/10/71/03/1312107103.db2.gz ODFGAIJVHUECCC-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001229503876 1312107105 /nfs/dbraw/zinc/10/71/05/1312107105.db2.gz ODFGAIJVHUECCC-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001229524705 1312109815 /nfs/dbraw/zinc/10/98/15/1312109815.db2.gz RAOXQRSSEIEGOK-CHWSQXEVSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCC=C(Cl)Cl ZINC001229524705 1312109818 /nfs/dbraw/zinc/10/98/18/1312109818.db2.gz RAOXQRSSEIEGOK-CHWSQXEVSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902793994 1312113496 /nfs/dbraw/zinc/11/34/96/1312113496.db2.gz QGYOFRHDTWUPHG-AWEZNQCLSA-N 1 3 344.425 2.779 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902793994 1312113498 /nfs/dbraw/zinc/11/34/98/1312113498.db2.gz QGYOFRHDTWUPHG-AWEZNQCLSA-N 1 3 344.425 2.779 20 0 EFADHO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3cccc([C@H](C)[NH+](C)C)c3)C[C@H]1N2C ZINC001229620281 1312120520 /nfs/dbraw/zinc/12/05/20/1312120520.db2.gz AZVKVHMHLKYXNT-GKTTZOGYSA-N 1 3 346.471 2.855 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)C1 ZINC001229693422 1312124041 /nfs/dbraw/zinc/12/40/41/1312124041.db2.gz SANVKGZTZZJRDJ-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)C1 ZINC001229693422 1312124042 /nfs/dbraw/zinc/12/40/42/1312124042.db2.gz SANVKGZTZZJRDJ-MGPQQGTHSA-N 1 3 348.318 2.664 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001229895099 1312155718 /nfs/dbraw/zinc/15/57/18/1312155718.db2.gz CRKWWYHNQUPTPL-JXMROGBWSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(C/C=C/c2ccccc2)CC1 ZINC001229895099 1312155720 /nfs/dbraw/zinc/15/57/20/1312155720.db2.gz CRKWWYHNQUPTPL-JXMROGBWSA-N 1 3 329.488 2.622 20 0 EFADHO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ccncc1-c1ccccc1 ZINC001162733590 1312163069 /nfs/dbraw/zinc/16/30/69/1312163069.db2.gz PNTYTBRGFPDKPS-IBGZPJMESA-N 1 3 341.455 2.714 20 0 EFADHO [NH3+]C1CCN(c2cccc(NC3(Cc4ccc(O)cc4)CC3)n2)CC1 ZINC001162734605 1312163116 /nfs/dbraw/zinc/16/31/16/1312163116.db2.gz BRAJVQGTXZDABM-UHFFFAOYSA-N 1 3 338.455 2.902 20 0 EFADHO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ccncc1-c1ccccc1 ZINC001162733591 1312163355 /nfs/dbraw/zinc/16/33/55/1312163355.db2.gz PNTYTBRGFPDKPS-LJQANCHMSA-N 1 3 341.455 2.714 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC001230105437 1312187701 /nfs/dbraw/zinc/18/77/01/1312187701.db2.gz OISIGPPSKIFVSX-UHFFFAOYSA-N 1 3 337.533 2.787 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC001230113035 1312189187 /nfs/dbraw/zinc/18/91/87/1312189187.db2.gz NXJIUVKKUYLNNW-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001230115154 1312189363 /nfs/dbraw/zinc/18/93/63/1312189363.db2.gz AQHBIXSHUSCNAB-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC001230115357 1312190000 /nfs/dbraw/zinc/19/00/00/1312190000.db2.gz QQDFNBUSBZHHJJ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928015 1312205528 /nfs/dbraw/zinc/20/55/28/1312205528.db2.gz AMOBVUFDGNBPFN-IBGZPJMESA-N 1 3 345.531 2.788 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)C1CC1 ZINC001048863551 1312205610 /nfs/dbraw/zinc/20/56/10/1312205610.db2.gz GOJAONORAVPYPU-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)C1CC1 ZINC001048863551 1312205614 /nfs/dbraw/zinc/20/56/14/1312205614.db2.gz GOJAONORAVPYPU-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1 ZINC001162928852 1312206366 /nfs/dbraw/zinc/20/63/66/1312206366.db2.gz PTHQIOHAIHAMSI-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284577 1312215176 /nfs/dbraw/zinc/21/51/76/1312215176.db2.gz LRBOSNXPRHPSAD-RTBURBONSA-N 1 3 349.494 2.991 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875855 1312216307 /nfs/dbraw/zinc/21/63/07/1312216307.db2.gz QUSJWYGXWOFSBX-ZCNNSNEGSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875855 1312216311 /nfs/dbraw/zinc/21/63/11/1312216311.db2.gz QUSJWYGXWOFSBX-ZCNNSNEGSA-N 1 3 347.547 2.853 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)C(C)C ZINC001163006306 1312224562 /nfs/dbraw/zinc/22/45/62/1312224562.db2.gz CLDSKUULZXSLJO-UHFFFAOYSA-N 1 3 333.520 2.788 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048887592 1312225792 /nfs/dbraw/zinc/22/57/92/1312225792.db2.gz CLYTXRHSWXFSRT-ZGXWSNOMSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048887592 1312225796 /nfs/dbraw/zinc/22/57/96/1312225796.db2.gz CLYTXRHSWXFSRT-ZGXWSNOMSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001048888776 1312227415 /nfs/dbraw/zinc/22/74/15/1312227415.db2.gz YEXMOHQEHLHING-ITQYTPKQSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001048888776 1312227419 /nfs/dbraw/zinc/22/74/19/1312227419.db2.gz YEXMOHQEHLHING-ITQYTPKQSA-N 1 3 347.478 2.617 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC001230366915 1312230319 /nfs/dbraw/zinc/23/03/19/1312230319.db2.gz NBMVVYQPKJNWGC-HNNXBMFYSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c(C)c1 ZINC001230366738 1312230623 /nfs/dbraw/zinc/23/06/23/1312230623.db2.gz FUNINHQRLIJFKL-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c(C)s1 ZINC001230373832 1312231652 /nfs/dbraw/zinc/23/16/52/1312231652.db2.gz BTYWJDOWWONJGQ-UHFFFAOYSA-N 1 3 337.533 2.786 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1nc(Cl)nc2ccc(F)cc21 ZINC001163122459 1312245686 /nfs/dbraw/zinc/24/56/86/1312245686.db2.gz LVJHAFZPDSPGCS-UHFFFAOYSA-N 1 3 338.818 2.700 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(Cl)nc2c(F)cccc12 ZINC001163127078 1312246327 /nfs/dbraw/zinc/24/63/27/1312246327.db2.gz ZQXXUVZBVGABLC-UHFFFAOYSA-N 1 3 338.818 2.700 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C2CCC2)nc(Cl)c1C ZINC001163129541 1312246732 /nfs/dbraw/zinc/24/67/32/1312246732.db2.gz NBKGCRSCMRADFF-UHFFFAOYSA-N 1 3 338.887 2.984 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C)c2ccc(OC)cc2n1 ZINC001163128631 1312247144 /nfs/dbraw/zinc/24/71/44/1312247144.db2.gz NZGAKFCWOATLBQ-UHFFFAOYSA-N 1 3 329.448 2.830 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001015654837 1312250419 /nfs/dbraw/zinc/25/04/19/1312250419.db2.gz GDIBZJJAMTXCBB-LPHOPBHVSA-N 1 3 329.488 2.588 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3C3CC3)C2)CC1 ZINC001015654554 1312250670 /nfs/dbraw/zinc/25/06/70/1312250670.db2.gz ZIORWOGGDUYZII-IBGZPJMESA-N 1 3 341.499 2.596 20 0 EFADHO Fc1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1CN1CCCC1 ZINC001163291394 1312283627 /nfs/dbraw/zinc/28/36/27/1312283627.db2.gz PSZOQQKRBGRTSL-OXQOHEQNSA-N 1 3 347.478 2.992 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001230617593 1312285388 /nfs/dbraw/zinc/28/53/88/1312285388.db2.gz DBOOYPSZLKEBLB-HFTQHKIXSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001230617593 1312285392 /nfs/dbraw/zinc/28/53/92/1312285392.db2.gz DBOOYPSZLKEBLB-HFTQHKIXSA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230631376 1312290787 /nfs/dbraw/zinc/29/07/87/1312290787.db2.gz ZFUJKIOGJJASDF-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230631376 1312290791 /nfs/dbraw/zinc/29/07/91/1312290791.db2.gz ZFUJKIOGJJASDF-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO c1cc([C@@H]2CCC[NH2+]C2)ccc1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163653387 1312355294 /nfs/dbraw/zinc/35/52/94/1312355294.db2.gz KNRNHDVITQSGQT-YZGWKJHDSA-N 1 3 329.488 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1C ZINC001015794046 1312363927 /nfs/dbraw/zinc/36/39/27/1312363927.db2.gz FPFWLVJTNMNFJD-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795502 1312365525 /nfs/dbraw/zinc/36/55/25/1312365525.db2.gz RBPWKBIFYBWEKG-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795502 1312365529 /nfs/dbraw/zinc/36/55/29/1312365529.db2.gz RBPWKBIFYBWEKG-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001015795502 1312365533 /nfs/dbraw/zinc/36/55/33/1312365533.db2.gz RBPWKBIFYBWEKG-QUCCMNQESA-N 1 3 343.515 2.684 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(Cc3ccc(CF)cc3)C2)CC1 ZINC001015796762 1312366730 /nfs/dbraw/zinc/36/67/30/1312366730.db2.gz QFVUNODXYMLRPH-LJQANCHMSA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)[N@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846533 1312369543 /nfs/dbraw/zinc/36/95/43/1312369543.db2.gz NJEULGGMHHMABT-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)[N@@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846533 1312369545 /nfs/dbraw/zinc/36/95/45/1312369545.db2.gz NJEULGGMHHMABT-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@H](C)C[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871355 1312375168 /nfs/dbraw/zinc/37/51/68/1312375168.db2.gz DGKZYIJVGBATJV-SFHVURJKSA-N 1 3 348.535 2.778 20 0 EFADHO CC[C@H](C)C[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871355 1312375171 /nfs/dbraw/zinc/37/51/71/1312375171.db2.gz DGKZYIJVGBATJV-SFHVURJKSA-N 1 3 348.535 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)C[C@H](C)CC ZINC001230905556 1312387365 /nfs/dbraw/zinc/38/73/65/1312387365.db2.gz IBAUTNMIHILXDF-GOSISDBHSA-N 1 3 348.535 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@H+](Cc1cccnc1)C[C@H](C)CC ZINC001230905556 1312387369 /nfs/dbraw/zinc/38/73/69/1312387369.db2.gz IBAUTNMIHILXDF-GOSISDBHSA-N 1 3 348.535 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)CC1CCC1 ZINC001230906820 1312387945 /nfs/dbraw/zinc/38/79/45/1312387945.db2.gz VSCVCECGTOKKAG-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCCN(C)CC(=O)NCCC[N@H+](Cc1cccnc1)CC1CCC1 ZINC001230906820 1312387949 /nfs/dbraw/zinc/38/79/49/1312387949.db2.gz VSCVCECGTOKKAG-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049037834 1312391222 /nfs/dbraw/zinc/39/12/22/1312391222.db2.gz AJFTYXCRSPCFGK-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049037834 1312391225 /nfs/dbraw/zinc/39/12/25/1312391225.db2.gz AJFTYXCRSPCFGK-CEXWTWQISA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1 ZINC001049057085 1312413352 /nfs/dbraw/zinc/41/33/52/1312413352.db2.gz LEBLDNSBAVXDSQ-KPZODNFCSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1 ZINC001049057085 1312413354 /nfs/dbraw/zinc/41/33/54/1312413354.db2.gz LEBLDNSBAVXDSQ-KPZODNFCSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049065029 1312417783 /nfs/dbraw/zinc/41/77/83/1312417783.db2.gz OKGNIKMEPZPUHM-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001049065029 1312417787 /nfs/dbraw/zinc/41/77/87/1312417787.db2.gz OKGNIKMEPZPUHM-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1)N(C)C ZINC001049064779 1312418224 /nfs/dbraw/zinc/41/82/24/1312418224.db2.gz LOLDRFOXYZPDPG-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1)N(C)C ZINC001049064779 1312418227 /nfs/dbraw/zinc/41/82/27/1312418227.db2.gz LOLDRFOXYZPDPG-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001049065436 1312418862 /nfs/dbraw/zinc/41/88/62/1312418862.db2.gz SINMHROQCUTKOT-GNBUJSLZSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001049065436 1312418866 /nfs/dbraw/zinc/41/88/66/1312418866.db2.gz SINMHROQCUTKOT-GNBUJSLZSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001049067360 1312419667 /nfs/dbraw/zinc/41/96/67/1312419667.db2.gz YEXMOHQEHLHING-RMRDIRSESA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1)N(C)C ZINC001049067360 1312419669 /nfs/dbraw/zinc/41/96/69/1312419669.db2.gz YEXMOHQEHLHING-RMRDIRSESA-N 1 3 347.478 2.617 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@@H]2CCN(C/C=C/c3ccccc3)C2)CC1 ZINC001015890220 1312426322 /nfs/dbraw/zinc/42/63/22/1312426322.db2.gz KETQSGYMNSSZNG-MUPIXQSSSA-N 1 3 341.499 2.622 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)C3)C[C@@H]2C1 ZINC001049097772 1312454017 /nfs/dbraw/zinc/45/40/17/1312454017.db2.gz SPLSFQIRDYUHGC-ZCFHBRKKSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)C3)C[C@@H]2C1 ZINC001049097772 1312454020 /nfs/dbraw/zinc/45/40/20/1312454020.db2.gz SPLSFQIRDYUHGC-ZCFHBRKKSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001015930721 1312454548 /nfs/dbraw/zinc/45/45/48/1312454548.db2.gz UNAANZJMRZVCMR-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])c(C)c2)CC1 ZINC000327126603 1312456886 /nfs/dbraw/zinc/45/68/86/1312456886.db2.gz SGRAFGRBPYBZDP-MSOLQXFVSA-N 1 3 344.503 2.593 20 0 EFADHO CN(C)C1(CNc2cccc(F)c2[Si](C)(C)C)CC[NH+](C)CC1 ZINC001164213614 1312470227 /nfs/dbraw/zinc/47/02/27/1312470227.db2.gz YUMYIJHHLWLVAN-UHFFFAOYSA-N 1 3 337.559 2.809 20 0 EFADHO CCC[N@@H+]1CCCC[C@H]1c1ccc(-n2cnc3c2CNCC3)nc1 ZINC001164317754 1312491190 /nfs/dbraw/zinc/49/11/90/1312491190.db2.gz YDYZCJBSLPMGAF-KRWDZBQOSA-N 1 3 325.460 2.850 20 0 EFADHO CCC[N@H+]1CCCC[C@H]1c1ccc(-n2cnc3c2CNCC3)nc1 ZINC001164317754 1312491191 /nfs/dbraw/zinc/49/11/91/1312491191.db2.gz YDYZCJBSLPMGAF-KRWDZBQOSA-N 1 3 325.460 2.850 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164486522 1312523695 /nfs/dbraw/zinc/52/36/95/1312523695.db2.gz PBWWZBIOVGLHMA-YTQUADARSA-N 1 3 337.471 2.519 20 0 EFADHO CNCc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncn1 ZINC001164486522 1312523699 /nfs/dbraw/zinc/52/36/99/1312523699.db2.gz PBWWZBIOVGLHMA-YTQUADARSA-N 1 3 337.471 2.519 20 0 EFADHO CCc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)nc1 ZINC001231637876 1312536817 /nfs/dbraw/zinc/53/68/17/1312536817.db2.gz PCYAKGOSBRILCC-UHFFFAOYSA-N 1 3 331.504 2.968 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCCN(CCn1ccnc1)C2 ZINC001277544754 1312536853 /nfs/dbraw/zinc/53/68/53/1312536853.db2.gz QIQZLLXDWJMYQU-GOSISDBHSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCCN(CCn1ccnc1)C2 ZINC001277544754 1312536857 /nfs/dbraw/zinc/53/68/57/1312536857.db2.gz QIQZLLXDWJMYQU-GOSISDBHSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ccc(O)cc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001277545433 1312539548 /nfs/dbraw/zinc/53/95/48/1312539548.db2.gz QGEHSHGCIRYHMA-UHFFFAOYSA-N 1 3 340.471 2.912 20 0 EFADHO Cc1ccc(O)cc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001277550942 1312549134 /nfs/dbraw/zinc/54/91/34/1312549134.db2.gz HKFKSYHLENPGMU-UXHICEINSA-N 1 3 331.504 2.787 20 0 EFADHO c1ccc(C[C@H]2CN(c3ncccc3CN3CCCC3)CC[NH2+]2)cc1 ZINC001164624029 1312553214 /nfs/dbraw/zinc/55/32/14/1312553214.db2.gz BFODFYVEQPACOV-FQEVSTJZSA-N 1 3 336.483 2.698 20 0 EFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231827861 1312570892 /nfs/dbraw/zinc/57/08/92/1312570892.db2.gz XBHOFGKZJAPPJD-BETUJISGSA-N 1 3 332.341 2.917 20 0 EFADHO CN1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)C(F)F)cc3)C[C@@H]2C1 ZINC001231827861 1312570896 /nfs/dbraw/zinc/57/08/96/1312570896.db2.gz XBHOFGKZJAPPJD-BETUJISGSA-N 1 3 332.341 2.917 20 0 EFADHO Nc1ccnc(F)c1CN1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277582566 1312582242 /nfs/dbraw/zinc/58/22/42/1312582242.db2.gz HMVRIHSSKUMJPX-GASCZTMLSA-N 1 3 332.467 2.889 20 0 EFADHO Nc1ccnc(F)c1CN1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001277582566 1312582244 /nfs/dbraw/zinc/58/22/44/1312582244.db2.gz HMVRIHSSKUMJPX-GASCZTMLSA-N 1 3 332.467 2.889 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNc2nc(CN)ccc2NC(=O)C(C)(C)C)C1 ZINC001165260452 1312597150 /nfs/dbraw/zinc/59/71/50/1312597150.db2.gz FPUDEAWXEWKSBH-AWEZNQCLSA-N 1 3 347.507 2.669 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNc2nc(CN)ccc2NC(=O)C(C)(C)C)C1 ZINC001165260452 1312597153 /nfs/dbraw/zinc/59/71/53/1312597153.db2.gz FPUDEAWXEWKSBH-AWEZNQCLSA-N 1 3 347.507 2.669 20 0 EFADHO COc1ccc(CC[N@@H+](Cc2cc3cnccc3[nH]2)C[C@H](C)O)cc1 ZINC001232010838 1312604985 /nfs/dbraw/zinc/60/49/85/1312604985.db2.gz DQSNQPCPZLNKES-HNNXBMFYSA-N 1 3 339.439 2.997 20 0 EFADHO COc1ccc(CC[N@H+](Cc2cc3cnccc3[nH]2)C[C@H](C)O)cc1 ZINC001232010838 1312604989 /nfs/dbraw/zinc/60/49/89/1312604989.db2.gz DQSNQPCPZLNKES-HNNXBMFYSA-N 1 3 339.439 2.997 20 0 EFADHO c1c(CN2CC[N@@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232014757 1312606452 /nfs/dbraw/zinc/60/64/52/1312606452.db2.gz OSANHIDTIRDSIO-QUCCMNQESA-N 1 3 348.450 2.900 20 0 EFADHO c1c(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)nc2cc[nH]cc1-2 ZINC001232014757 1312606455 /nfs/dbraw/zinc/60/64/55/1312606455.db2.gz OSANHIDTIRDSIO-QUCCMNQESA-N 1 3 348.450 2.900 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049232703 1312607857 /nfs/dbraw/zinc/60/78/57/1312607857.db2.gz CMXCULDCABPXNX-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3CC)C[C@H]2C1 ZINC001049232703 1312607862 /nfs/dbraw/zinc/60/78/62/1312607862.db2.gz CMXCULDCABPXNX-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049234044 1312609461 /nfs/dbraw/zinc/60/94/61/1312609461.db2.gz XDPILBLLPAGDES-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC3CCC3)C[C@@H]2C1 ZINC001049234044 1312609465 /nfs/dbraw/zinc/60/94/65/1312609465.db2.gz XDPILBLLPAGDES-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234595 1312609833 /nfs/dbraw/zinc/60/98/33/1312609833.db2.gz GCEGFWSBUIYYIW-QRQLOZEOSA-N 1 3 343.515 2.798 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234595 1312609838 /nfs/dbraw/zinc/60/98/38/1312609838.db2.gz GCEGFWSBUIYYIW-QRQLOZEOSA-N 1 3 343.515 2.798 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)CCC1 ZINC001165464553 1312633562 /nfs/dbraw/zinc/63/35/62/1312633562.db2.gz GBKHRAYNHKBHDI-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCC1 ZINC001165465202 1312633984 /nfs/dbraw/zinc/63/39/84/1312633984.db2.gz XKEYNDOOOJEMQX-FGTMMUONSA-N 1 3 347.547 2.783 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CCCC3CCC3)CC2)CCC1 ZINC001165465080 1312634037 /nfs/dbraw/zinc/63/40/37/1312634037.db2.gz SIOIYPJVUCAKAD-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC001165465203 1312634275 /nfs/dbraw/zinc/63/42/75/1312634275.db2.gz XKEYNDOOOJEMQX-KURKYZTESA-N 1 3 347.547 2.783 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]CCc3cccs3)CC2)CCC1 ZINC001165464594 1312634302 /nfs/dbraw/zinc/63/43/02/1312634302.db2.gz HFSPFGFIJOWJCL-UHFFFAOYSA-N 1 3 349.544 2.651 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@@H](C3CC3)N(C)C)CC2)cc1 ZINC001165484968 1312636305 /nfs/dbraw/zinc/63/63/05/1312636305.db2.gz IVYDKENNFZMIRG-LJQANCHMSA-N 1 3 343.515 2.711 20 0 EFADHO CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485168 1312636982 /nfs/dbraw/zinc/63/69/82/1312636982.db2.gz NWZADELWHLEHAI-MJRGOJFPSA-N 1 3 335.536 2.949 20 0 EFADHO CCC/C=C\CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485166 1312637073 /nfs/dbraw/zinc/63/70/73/1312637073.db2.gz NWZADELWHLEHAI-HPFMTEOYSA-N 1 3 335.536 2.949 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1)C1CCC1 ZINC001165492332 1312637932 /nfs/dbraw/zinc/63/79/32/1312637932.db2.gz QQFRGVOQZATJGW-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccnc2c(F)cccc12 ZINC001232208259 1312649151 /nfs/dbraw/zinc/64/91/51/1312649151.db2.gz OKPBBTHCCICABH-RBUKOAKNSA-N 1 3 342.462 2.584 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccnc2c(F)cccc12 ZINC001232208259 1312649154 /nfs/dbraw/zinc/64/91/54/1312649154.db2.gz OKPBBTHCCICABH-RBUKOAKNSA-N 1 3 342.462 2.584 20 0 EFADHO CN1CCN(C2CC[NH+](Cc3ccnc4c(F)cccc34)CC2)CC1 ZINC001232209726 1312649191 /nfs/dbraw/zinc/64/91/91/1312649191.db2.gz PTYTVYKQSVLPLC-UHFFFAOYSA-N 1 3 342.462 2.586 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165616773 1312653271 /nfs/dbraw/zinc/65/32/71/1312653271.db2.gz BIOUTAQVCCPBBC-IBGZPJMESA-N 1 3 345.531 2.957 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001165717940 1312669487 /nfs/dbraw/zinc/66/94/87/1312669487.db2.gz ARYYDKGHMCNWAH-MRXNPFEDSA-N 1 3 337.533 2.773 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126121 1314437479 /nfs/dbraw/zinc/43/74/79/1314437479.db2.gz NIYGQRPPVJYMRP-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)CC1 ZINC001052897223 1314458081 /nfs/dbraw/zinc/45/80/81/1314458081.db2.gz HNJWHQQVJHEDGB-GOSISDBHSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC001052897223 1314458084 /nfs/dbraw/zinc/45/80/84/1314458084.db2.gz HNJWHQQVJHEDGB-GOSISDBHSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001052898565 1314459850 /nfs/dbraw/zinc/45/98/50/1314459850.db2.gz DOLYCGIOJFOROG-WMZOPIPTSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001052898565 1314459854 /nfs/dbraw/zinc/45/98/54/1314459854.db2.gz DOLYCGIOJFOROG-WMZOPIPTSA-N 1 3 340.471 2.993 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233876 1314461093 /nfs/dbraw/zinc/46/10/93/1314461093.db2.gz QSYJOYOYELRXRY-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211283194 1314469089 /nfs/dbraw/zinc/46/90/89/1314469089.db2.gz FCMZSGWMKQCEDT-MJGOQNOKSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C)N1CCCC1 ZINC001211376218 1314488396 /nfs/dbraw/zinc/48/83/96/1314488396.db2.gz HZBMMGIYFKSLMO-QRQLOZEOSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C)N1CCCC1 ZINC001211376218 1314488398 /nfs/dbraw/zinc/48/83/98/1314488398.db2.gz HZBMMGIYFKSLMO-QRQLOZEOSA-N 1 3 349.563 2.980 20 0 EFADHO Nc1[nH+]ccn1Cc1cccc(C2=CC[C@@H](N3CCOCC3)CC2)c1 ZINC001245425174 1314488705 /nfs/dbraw/zinc/48/87/05/1314488705.db2.gz FQDVLOQDAJTVDY-LJQANCHMSA-N 1 3 338.455 2.782 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932075 1314490192 /nfs/dbraw/zinc/49/01/92/1314490192.db2.gz GZDPVAHUSQWOGX-DLBZAZTESA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3Cl)CC2)C1 ZINC001052932075 1314490198 /nfs/dbraw/zinc/49/01/98/1314490198.db2.gz GZDPVAHUSQWOGX-DLBZAZTESA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001052933712 1314493348 /nfs/dbraw/zinc/49/33/48/1314493348.db2.gz DLKILHMHVAMHAM-MSOLQXFVSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001052933712 1314493351 /nfs/dbraw/zinc/49/33/51/1314493351.db2.gz DLKILHMHVAMHAM-MSOLQXFVSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)c1 ZINC001019810727 1314513254 /nfs/dbraw/zinc/51/32/54/1314513254.db2.gz GSCNLULMTQKXOM-FQEVSTJZSA-N 1 3 337.467 2.753 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001019820627 1314515616 /nfs/dbraw/zinc/51/56/16/1314515616.db2.gz RKXNBYATMJWWPA-RBUKOAKNSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001019820477 1314516130 /nfs/dbraw/zinc/51/61/30/1314516130.db2.gz LOZVVVBWVMBJCV-VQTJNVASSA-N 1 3 343.515 2.868 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@H](C)CC)CC1 ZINC001052985620 1314542337 /nfs/dbraw/zinc/54/23/37/1314542337.db2.gz VAAIKRQNUISUKZ-QRQLOZEOSA-N 1 3 335.536 2.972 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@H](C)CC)CC1 ZINC001052985620 1314542342 /nfs/dbraw/zinc/54/23/42/1314542342.db2.gz VAAIKRQNUISUKZ-QRQLOZEOSA-N 1 3 335.536 2.972 20 0 EFADHO O=C(CC1CCC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052987053 1314543913 /nfs/dbraw/zinc/54/39/13/1314543913.db2.gz BXAVFOBEPMHNOK-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986761 1314544043 /nfs/dbraw/zinc/54/40/43/1314544043.db2.gz UGEVHJWHBLNTOI-FFZOFVMBSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052986761 1314544047 /nfs/dbraw/zinc/54/40/47/1314544047.db2.gz UGEVHJWHBLNTOI-FFZOFVMBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052994239 1314549165 /nfs/dbraw/zinc/54/91/65/1314549165.db2.gz KSGOEJUPRMYHNX-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052994239 1314549168 /nfs/dbraw/zinc/54/91/68/1314549168.db2.gz KSGOEJUPRMYHNX-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1CC[C@@H](CNC[C@H](O)COc2cccc3ccccc32)C[NH2+]1 ZINC001245970238 1314557077 /nfs/dbraw/zinc/55/70/77/1314557077.db2.gz BJXUYXCFJYHNOH-RYRKJORJSA-N 1 3 328.456 2.557 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@H](O)COc1cccc2ccccc21 ZINC001245983296 1314559251 /nfs/dbraw/zinc/55/92/51/1314559251.db2.gz OCOGDGWQFPBHKF-JQHSSLGASA-N 1 3 328.456 2.557 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c(C)c1 ZINC001245982199 1314559292 /nfs/dbraw/zinc/55/92/92/1314559292.db2.gz FKEGVEZVQFHADO-VQTJNVASSA-N 1 3 348.437 2.911 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001245987309 1314560019 /nfs/dbraw/zinc/56/00/19/1314560019.db2.gz LADOQKGHMPFBSA-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c(C)c1 ZINC001245988208 1314560465 /nfs/dbraw/zinc/56/04/65/1314560465.db2.gz OGFDGFSYVSWCAV-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1)CC2 ZINC001245994544 1314561320 /nfs/dbraw/zinc/56/13/20/1314561320.db2.gz OPOYDKVYTUAMRU-XUVXKRRUSA-N 1 3 346.421 2.781 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccc(Cl)cc2C1 ZINC001246000603 1314563510 /nfs/dbraw/zinc/56/35/10/1314563510.db2.gz LMWZSZUKODYTSE-SLFFLAALSA-N 1 3 344.886 2.718 20 0 EFADHO O[C@]1(C[NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC2)CCCNC1 ZINC001246004523 1314564723 /nfs/dbraw/zinc/56/47/23/1314564723.db2.gz ZLQLQKASUMIIDN-QGZVFWFLSA-N 1 3 342.405 2.732 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(C2CC2)c1 ZINC001246012337 1314565925 /nfs/dbraw/zinc/56/59/25/1314565925.db2.gz ZBNVPNISDSQPDH-VQTJNVASSA-N 1 3 346.421 2.863 20 0 EFADHO C[C@]1(C[NH3+])CCCCN(C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC001246019589 1314566816 /nfs/dbraw/zinc/56/68/16/1314566816.db2.gz GFQOEGGONMVJQC-DOTOQJQBSA-N 1 3 326.868 2.531 20 0 EFADHO C[C@]1(C[NH3+])CCCCN(C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC001246019591 1314566962 /nfs/dbraw/zinc/56/69/62/1314566962.db2.gz GFQOEGGONMVJQC-NVXWUHKLSA-N 1 3 326.868 2.531 20 0 EFADHO C[C@@H]1[C@H](C[NH3+])CCCN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246020731 1314567198 /nfs/dbraw/zinc/56/71/98/1314567198.db2.gz JSZHMGJIHSSBIY-RYRKJORJSA-N 1 3 334.504 2.783 20 0 EFADHO O[C@@H](CN[C@@H](C1CCC1)C1C[NH2+]C1)COc1cccc2ccccc21 ZINC001246020966 1314568309 /nfs/dbraw/zinc/56/83/09/1314568309.db2.gz QQJJLCIXJYZJCB-RXVVDRJESA-N 1 3 340.467 2.557 20 0 EFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H](O)COc1cccc2ccccc21 ZINC001246026539 1314568465 /nfs/dbraw/zinc/56/84/65/1314568465.db2.gz VVIYGRZKFVNNEL-KBAYOESNSA-N 1 3 328.456 2.639 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCC[C@H](C[NH3+])C2)cc1 ZINC001246033932 1314570529 /nfs/dbraw/zinc/57/05/29/1314570529.db2.gz LZZNLDNHBORNCJ-AEFFLSMTSA-N 1 3 334.504 2.785 20 0 EFADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246035932 1314570560 /nfs/dbraw/zinc/57/05/60/1314570560.db2.gz VCYNOQCDTOLAAO-SFNKJDCFSA-N 1 3 336.907 2.939 20 0 EFADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2[C@H](N)[C@@H]2C1 ZINC001246035932 1314570565 /nfs/dbraw/zinc/57/05/65/1314570565.db2.gz VCYNOQCDTOLAAO-SFNKJDCFSA-N 1 3 336.907 2.939 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246033737 1314570783 /nfs/dbraw/zinc/57/07/83/1314570783.db2.gz OTELZJYJBUUGDG-QZTJIDSGSA-N 1 3 326.525 2.798 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246033737 1314570788 /nfs/dbraw/zinc/57/07/88/1314570788.db2.gz OTELZJYJBUUGDG-QZTJIDSGSA-N 1 3 326.525 2.798 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC001246043707 1314571832 /nfs/dbraw/zinc/57/18/32/1314571832.db2.gz CFUFZFWQJAHDKY-VQTJNVASSA-N 1 3 346.421 2.860 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC001246043707 1314571837 /nfs/dbraw/zinc/57/18/37/1314571837.db2.gz CFUFZFWQJAHDKY-VQTJNVASSA-N 1 3 346.421 2.860 20 0 EFADHO O[C@]1(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246044623 1314571981 /nfs/dbraw/zinc/57/19/81/1314571981.db2.gz HKBMJWBCJSDEDQ-GDBMZVCRSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246044623 1314571985 /nfs/dbraw/zinc/57/19/85/1314571985.db2.gz HKBMJWBCJSDEDQ-GDBMZVCRSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]C1 ZINC001246044623 1314571989 /nfs/dbraw/zinc/57/19/89/1314571989.db2.gz HKBMJWBCJSDEDQ-GDBMZVCRSA-N 1 3 328.378 2.609 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246043498 1314572137 /nfs/dbraw/zinc/57/21/37/1314572137.db2.gz LQEOMCARIZXNRV-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246043498 1314572140 /nfs/dbraw/zinc/57/21/40/1314572140.db2.gz LQEOMCARIZXNRV-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN2CC3(C2)CCC[NH2+]CC3)cc1 ZINC001246045895 1314572694 /nfs/dbraw/zinc/57/26/94/1314572694.db2.gz LPEUNPJRXIBXKS-GOSISDBHSA-N 1 3 346.515 2.799 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246046377 1314572861 /nfs/dbraw/zinc/57/28/61/1314572861.db2.gz PLFHOIIQMWAMHK-VQTJNVASSA-N 1 3 348.437 2.890 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1 ZINC001246046377 1314572866 /nfs/dbraw/zinc/57/28/66/1314572866.db2.gz PLFHOIIQMWAMHK-VQTJNVASSA-N 1 3 348.437 2.890 20 0 EFADHO CC(C)[N@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@@]1(O)CCCNC1 ZINC001246053305 1314575295 /nfs/dbraw/zinc/57/52/95/1314575295.db2.gz QFQPFCQKNHNEES-NHCUHLMSSA-N 1 3 342.483 2.698 20 0 EFADHO CC(C)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C[C@@]1(O)CCCNC1 ZINC001246053305 1314575298 /nfs/dbraw/zinc/57/52/98/1314575298.db2.gz QFQPFCQKNHNEES-NHCUHLMSSA-N 1 3 342.483 2.698 20 0 EFADHO O[C@@]1(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056514 1314576691 /nfs/dbraw/zinc/57/66/91/1314576691.db2.gz PGSYMVSVKNOPBQ-HOCLYGCPSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CCCNC1 ZINC001246056514 1314576697 /nfs/dbraw/zinc/57/66/97/1314576697.db2.gz PGSYMVSVKNOPBQ-HOCLYGCPSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061129 1314577183 /nfs/dbraw/zinc/57/71/83/1314577183.db2.gz HLENPDBGVUQQSD-CVEARBPZSA-N 1 3 344.377 2.837 20 0 EFADHO O[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061129 1314577186 /nfs/dbraw/zinc/57/71/86/1314577186.db2.gz HLENPDBGVUQQSD-CVEARBPZSA-N 1 3 344.377 2.837 20 0 EFADHO CCCN(C[C@H](O)COc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001246069383 1314579243 /nfs/dbraw/zinc/57/92/43/1314579243.db2.gz XLSYOVGGEKJBRH-HKUYNNGSSA-N 1 3 342.483 2.901 20 0 EFADHO CN(C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(C)(C)Cc1ccccc1 ZINC001246070392 1314579860 /nfs/dbraw/zinc/57/98/60/1314579860.db2.gz OCSRHWQVQYZSHB-VQTJNVASSA-N 1 3 326.484 2.870 20 0 EFADHO Fc1ccc(OC(F)(F)F)c(CN[C@H]2CSC3(C[NH2+]C3)C2)c1 ZINC001246074615 1314580239 /nfs/dbraw/zinc/58/02/39/1314580239.db2.gz DXDJUHQICCUIES-LLVKDONJSA-N 1 3 336.354 2.661 20 0 EFADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246083941 1314580770 /nfs/dbraw/zinc/58/07/70/1314580770.db2.gz QOIJWNBHLJIZRW-JLJPHGGASA-N 1 3 344.496 2.722 20 0 EFADHO O[C@@]1(C[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCNC[C@@H]1F ZINC001246081184 1314580884 /nfs/dbraw/zinc/58/08/84/1314580884.db2.gz IVXUYZMUASHBCN-VBNZEHGJSA-N 1 3 347.261 2.503 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084367 1314581368 /nfs/dbraw/zinc/58/13/68/1314581368.db2.gz ROWHOMQGMRENOR-NZVBXONLSA-N 1 3 335.250 2.577 20 0 EFADHO O[C@]1(CN[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246094944 1314582934 /nfs/dbraw/zinc/58/29/34/1314582934.db2.gz HKUQROPNGNRGAZ-RHSMWYFYSA-N 1 3 343.298 2.945 20 0 EFADHO C[C@@H]1CC[C@@H](CN[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)[NH2+]C1 ZINC001246108775 1314584277 /nfs/dbraw/zinc/58/42/77/1314584277.db2.gz WHLXPYLGNOKYAD-QRQLOZEOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246133521 1314587462 /nfs/dbraw/zinc/58/74/62/1314587462.db2.gz JZFADBCKXNAKSI-WWGRRREGSA-N 1 3 326.893 2.646 20 0 EFADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139011 1314588517 /nfs/dbraw/zinc/58/85/17/1314588517.db2.gz QDFLNUVDTIMMQR-PBXWNFIWSA-N 1 3 329.271 2.891 20 0 EFADHO c1ccc(COc2ccc3c(c2)C[C@@H](N[C@@H]2[C@H]4C[NH2+]C[C@H]42)CC3)cc1 ZINC001246145858 1314588960 /nfs/dbraw/zinc/58/89/60/1314588960.db2.gz FONPRQGQCTWZTQ-VXSCBNMQSA-N 1 3 334.463 2.930 20 0 EFADHO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246155056 1314590990 /nfs/dbraw/zinc/59/09/90/1314590990.db2.gz WYOITDWGUNMAOR-IPELMVKDSA-N 1 3 336.426 2.570 20 0 EFADHO CC[C@@H]1C[C@@H](NCC2(N3CCOCC3)CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246171020 1314592609 /nfs/dbraw/zinc/59/26/09/1314592609.db2.gz PKPWZIZGTRXFNS-REPLKXPHSA-N 1 3 337.552 2.920 20 0 EFADHO CCCC[C@H]1C[C@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171882 1314593021 /nfs/dbraw/zinc/59/30/21/1314593021.db2.gz TZVNOIBVBGCQNN-RBUKOAKNSA-N 1 3 337.552 2.922 20 0 EFADHO CC(C)(C)[C@H]1C[C@H](NCC2(N3CCOCC3)CCCCC2)CC[NH2+]1 ZINC001246171925 1314593640 /nfs/dbraw/zinc/59/36/40/1314593640.db2.gz ULQPGRRRQZNHPF-QZTJIDSGSA-N 1 3 337.552 2.778 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027180 1314596345 /nfs/dbraw/zinc/59/63/45/1314596345.db2.gz AWIKJWCJVMYJBP-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027180 1314596348 /nfs/dbraw/zinc/59/63/48/1314596348.db2.gz AWIKJWCJVMYJBP-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C1(C)C ZINC001246216479 1314598726 /nfs/dbraw/zinc/59/87/26/1314598726.db2.gz KXQAJMKEQQHFIJ-BDXSIMOUSA-N 1 3 330.472 2.527 20 0 EFADHO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C1(C)C ZINC001246216479 1314598729 /nfs/dbraw/zinc/59/87/29/1314598729.db2.gz KXQAJMKEQQHFIJ-BDXSIMOUSA-N 1 3 330.472 2.527 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029790 1314602869 /nfs/dbraw/zinc/60/28/69/1314602869.db2.gz WAGYMADIJRQWDJ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC3CC3)C2)C1)C1CCC1 ZINC001053029790 1314602874 /nfs/dbraw/zinc/60/28/74/1314602874.db2.gz WAGYMADIJRQWDJ-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029772 1314603268 /nfs/dbraw/zinc/60/32/68/1314603268.db2.gz VTROZXRIKVNQJZ-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029772 1314603271 /nfs/dbraw/zinc/60/32/71/1314603271.db2.gz VTROZXRIKVNQJZ-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO c1ccc(CN(CC2=NCCN2[C@H]2CC[NH2+]C2)c2ccccc2)cc1 ZINC001246269043 1314604572 /nfs/dbraw/zinc/60/45/72/1314604572.db2.gz KNVDLNZGLNMFDI-FQEVSTJZSA-N 1 3 334.467 2.769 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(CC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246329275 1314610586 /nfs/dbraw/zinc/61/05/86/1314610586.db2.gz UMWVXXPWOMIKKP-CRAIPNDOSA-N 1 3 332.488 2.843 20 0 EFADHO CCOC(=O)CC1(N[C@H]2CCc3ccc(C)cc3C2)CC[NH2+]CC1 ZINC001246325329 1314611003 /nfs/dbraw/zinc/61/10/03/1314611003.db2.gz JLAWBAIOVBVENG-SFHVURJKSA-N 1 3 330.472 2.517 20 0 EFADHO CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246334207 1314612229 /nfs/dbraw/zinc/61/22/29/1314612229.db2.gz OIEQYUNNQYUFMA-MSOLQXFVSA-N 1 3 332.488 2.919 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](C)CCc1ccc(Br)cc1 ZINC001246346903 1314613973 /nfs/dbraw/zinc/61/39/73/1314613973.db2.gz GOVWZADOBURICC-VBNZEHGJSA-N 1 3 341.293 2.737 20 0 EFADHO Fc1ccc(CN2CCC(N[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001246355018 1314614248 /nfs/dbraw/zinc/61/42/48/1314614248.db2.gz LDBVVWYSQCNGQD-MRXNPFEDSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1ccc(Cl)cc1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC001246359873 1314615315 /nfs/dbraw/zinc/61/53/15/1314615315.db2.gz PKFCEYSSZVXDGI-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO C[NH2+]CC[C@@H](C)N[C@H]1CCN(Cc2cccc(Br)c2)C1 ZINC001246359745 1314615367 /nfs/dbraw/zinc/61/53/67/1314615367.db2.gz BVYFBIMGDMYHMG-CJNGLKHVSA-N 1 3 340.309 2.611 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038441 1314618257 /nfs/dbraw/zinc/61/82/57/1314618257.db2.gz IBSIJESJOYQKHX-DLBZAZTESA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053038441 1314618261 /nfs/dbraw/zinc/61/82/61/1314618261.db2.gz IBSIJESJOYQKHX-DLBZAZTESA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041068 1314621675 /nfs/dbraw/zinc/62/16/75/1314621675.db2.gz XHYYDMBZEOWSMQ-ROUUACIJSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041068 1314621678 /nfs/dbraw/zinc/62/16/78/1314621678.db2.gz XHYYDMBZEOWSMQ-ROUUACIJSA-N 1 3 346.519 2.949 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246404902 1314624134 /nfs/dbraw/zinc/62/41/34/1314624134.db2.gz ITJGPPDNYFVBHR-ULQDDVLXSA-N 1 3 341.503 2.755 20 0 EFADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@H]2CCN[C@@H](C)C2)CC1 ZINC001246405689 1314625547 /nfs/dbraw/zinc/62/55/47/1314625547.db2.gz NGFVOMRPTXFISP-RDJZCZTQSA-N 1 3 341.503 2.755 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@@H]([NH2+][C@H]2CCCCNC2)C1 ZINC001246406852 1314625593 /nfs/dbraw/zinc/62/55/93/1314625593.db2.gz PYTARKWKUOMMCS-DLBZAZTESA-N 1 3 341.503 2.757 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246409499 1314626025 /nfs/dbraw/zinc/62/60/25/1314626025.db2.gz ZWRMRTDXNIZOJQ-DOTOQJQBSA-N 1 3 339.487 2.576 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246409505 1314626455 /nfs/dbraw/zinc/62/64/55/1314626455.db2.gz ZWRMRTDXNIZOJQ-WBVHZDCISA-N 1 3 339.487 2.576 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4ccccc4C3=O)CC2)CCN1 ZINC001246436240 1314629216 /nfs/dbraw/zinc/62/92/16/1314629216.db2.gz HXASYPGWRSKIPH-VDHUWJSZSA-N 1 3 327.472 2.684 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@H]2CC23CNC3)CC1 ZINC001246448524 1314629802 /nfs/dbraw/zinc/62/98/02/1314629802.db2.gz ZIHQJEBKWFTMIY-WUJZJPHMSA-N 1 3 348.874 2.645 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N[C@H]2CC23C[NH2+]C3)CC1 ZINC001246448524 1314629804 /nfs/dbraw/zinc/62/98/04/1314629804.db2.gz ZIHQJEBKWFTMIY-WUJZJPHMSA-N 1 3 348.874 2.645 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001020144027 1314631117 /nfs/dbraw/zinc/63/11/17/1314631117.db2.gz OGNOYPJIHDGSRP-KZNAEPCWSA-N 1 3 333.520 2.676 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001020144106 1314631331 /nfs/dbraw/zinc/63/13/31/1314631331.db2.gz QFRWQCIWWPEJKB-VGWMRTNUSA-N 1 3 343.462 2.531 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246505661 1314638746 /nfs/dbraw/zinc/63/87/46/1314638746.db2.gz FZEHJZIWINCQBG-LALPHHSUSA-N 1 3 339.277 2.730 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccc(Br)cc3C2)CCN1 ZINC001246505661 1314638749 /nfs/dbraw/zinc/63/87/49/1314638749.db2.gz FZEHJZIWINCQBG-LALPHHSUSA-N 1 3 339.277 2.730 20 0 EFADHO CCCC[C@@H]1C[C@@H](N[C@@H](CN2CCOCC2)C(C)(C)C)CC[NH2+]1 ZINC001246495358 1314637625 /nfs/dbraw/zinc/63/76/25/1314637625.db2.gz XDAOYPODLPNOOH-SQNIBIBYSA-N 1 3 325.541 2.634 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)N1CCCCC1 ZINC001020156218 1314640387 /nfs/dbraw/zinc/64/03/87/1314640387.db2.gz AYTRQMWPHRRBOG-WKILWMFISA-N 1 3 335.517 2.749 20 0 EFADHO COc1cccc([C@H](C[NH3+])N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1 ZINC001246513435 1314640709 /nfs/dbraw/zinc/64/07/09/1314640709.db2.gz WUSOQUIIVHWWSS-BSIFCXSSSA-N 1 3 339.483 2.948 20 0 EFADHO C[C@]1(N)CC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246529485 1314642684 /nfs/dbraw/zinc/64/26/84/1314642684.db2.gz KNKVZXVFCRDEQB-INIZCTEOSA-N 1 3 338.293 2.841 20 0 EFADHO C[C@]1(N)CC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001246529485 1314642689 /nfs/dbraw/zinc/64/26/89/1314642689.db2.gz KNKVZXVFCRDEQB-INIZCTEOSA-N 1 3 338.293 2.841 20 0 EFADHO Fc1ccc(N2CCN([C@@H]3CCC4(C[NH2+]C4)C3)CC2)c(F)c1Cl ZINC001246534029 1314642961 /nfs/dbraw/zinc/64/29/61/1314642961.db2.gz FIPOPFSRELWTBN-GFCCVEGCSA-N 1 3 341.833 2.882 20 0 EFADHO Fc1ccc(N2CCN([C@@H]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1Cl ZINC001246534016 1314643021 /nfs/dbraw/zinc/64/30/21/1314643021.db2.gz FGVHXTYIGZXHND-ITGUQSILSA-N 1 3 341.833 2.738 20 0 EFADHO C[C@@]1([NH3+])CCN([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246531733 1314643303 /nfs/dbraw/zinc/64/33/03/1314643303.db2.gz SRAUXUJZARBUKW-CTAFRAEOSA-N 1 3 341.499 2.741 20 0 EFADHO C[C@@H](CCc1ccc(Br)cc1)N1CCO[C@@H](CC[NH3+])C1 ZINC001246535996 1314644293 /nfs/dbraw/zinc/64/42/93/1314644293.db2.gz RIFGHNRQZFXQBC-BBRMVZONSA-N 1 3 341.293 2.820 20 0 EFADHO C[C@]1([NH3+])CCCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001246549350 1314645371 /nfs/dbraw/zinc/64/53/71/1314645371.db2.gz IJCPMCZLVYHAQM-IBGZPJMESA-N 1 3 333.451 2.634 20 0 EFADHO C[C@@]1([NH3+])CCCN(C2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001246549379 1314645944 /nfs/dbraw/zinc/64/59/44/1314645944.db2.gz IJCPMCZLVYHAQM-LJQANCHMSA-N 1 3 333.451 2.634 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246592323 1314653354 /nfs/dbraw/zinc/65/33/54/1314653354.db2.gz AHKULGPSDSLVQA-AWEZNQCLSA-N 1 3 341.421 2.664 20 0 EFADHO COC(=O)c1ccc(C[C@H](C)N2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC001246607433 1314656502 /nfs/dbraw/zinc/65/65/02/1314656502.db2.gz DSXDNNUPXRKJEI-OXJNMPFZSA-N 1 3 330.472 2.870 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([N@@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246609925 1314656814 /nfs/dbraw/zinc/65/68/14/1314656814.db2.gz KMCXMCXQDNNNCL-OWODTTCDSA-N 1 3 334.504 2.964 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([N@H+]1CCC[C@@]3(CCCNC3)C1)CC2 ZINC001246609925 1314656818 /nfs/dbraw/zinc/65/68/18/1314656818.db2.gz KMCXMCXQDNNNCL-OWODTTCDSA-N 1 3 334.504 2.964 20 0 EFADHO Brc1ccc2c(c1)C[C@@H](N1CC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC001246619287 1314658551 /nfs/dbraw/zinc/65/85/51/1314658551.db2.gz KGPIJJIIPKHEIQ-RRQGHBQHSA-N 1 3 335.289 2.990 20 0 EFADHO [NH3+]CC1(F)CCN([C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC001246627523 1314660407 /nfs/dbraw/zinc/66/04/07/1314660407.db2.gz MHPIOQJKDHUIHZ-AWEZNQCLSA-N 1 3 327.241 2.679 20 0 EFADHO C1COC2(CCC(C3CCC(N4CC[C@H]5C[NH2+]C[C@H]54)CC3)CC2)O1 ZINC001246647547 1314663482 /nfs/dbraw/zinc/66/34/82/1314663482.db2.gz SXJKMHJNKMDXCB-VWPHEMMRSA-N 1 3 334.504 2.772 20 0 EFADHO CC(C)CCC[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246655246 1314665634 /nfs/dbraw/zinc/66/56/34/1314665634.db2.gz GYHMJLHZTWMURO-KRWDZBQOSA-N 1 3 336.524 2.675 20 0 EFADHO CC(C)=CCC[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246668882 1314667647 /nfs/dbraw/zinc/66/76/47/1314667647.db2.gz PHRFDWNPEYBETN-KRWDZBQOSA-N 1 3 334.508 2.595 20 0 EFADHO CCCCCC[C@H](C)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001246671299 1314668361 /nfs/dbraw/zinc/66/83/61/1314668361.db2.gz ZDLLKHKJKPSORL-KRWDZBQOSA-N 1 3 336.524 2.819 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1 ZINC001246692903 1314671908 /nfs/dbraw/zinc/67/19/08/1314671908.db2.gz PGEYVUAJKPZTBU-QSFXBCCZSA-N 1 3 348.462 2.818 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C2)CNCC[C@@H]3F)cc1 ZINC001246692903 1314671909 /nfs/dbraw/zinc/67/19/09/1314671909.db2.gz PGEYVUAJKPZTBU-QSFXBCCZSA-N 1 3 348.462 2.818 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759758 1314677507 /nfs/dbraw/zinc/67/75/07/1314677507.db2.gz ONXDALMUWWSAOQ-JCFPMPJVSA-N 1 3 345.462 2.863 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759758 1314677510 /nfs/dbraw/zinc/67/75/10/1314677510.db2.gz ONXDALMUWWSAOQ-JCFPMPJVSA-N 1 3 345.462 2.863 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246772629 1314678781 /nfs/dbraw/zinc/67/87/81/1314678781.db2.gz BRAFWWMTDFAVTR-WWMYMODYSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+]([C@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772629 1314678785 /nfs/dbraw/zinc/67/87/85/1314678785.db2.gz BRAFWWMTDFAVTR-WWMYMODYSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772629 1314678787 /nfs/dbraw/zinc/67/87/87/1314678787.db2.gz BRAFWWMTDFAVTR-WWMYMODYSA-N 1 3 341.499 2.773 20 0 EFADHO C(O[C@@H]1CN([C@@H]2CC[NH2+]C3(CCCCC3)C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246774363 1314680556 /nfs/dbraw/zinc/68/05/56/1314680556.db2.gz NDLJIALHLYDXFH-FCGDIQPGSA-N 1 3 334.504 2.567 20 0 EFADHO CC[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CC[NH2+]1 ZINC001246782641 1314681058 /nfs/dbraw/zinc/68/10/58/1314681058.db2.gz VAGSYLVAHODBBK-YFVAEKQCSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782641 1314681064 /nfs/dbraw/zinc/68/10/64/1314681064.db2.gz VAGSYLVAHODBBK-YFVAEKQCSA-N 1 3 341.499 2.954 20 0 EFADHO CC[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)cc4)C3)C2)CCN1 ZINC001246782641 1314681067 /nfs/dbraw/zinc/68/10/67/1314681067.db2.gz VAGSYLVAHODBBK-YFVAEKQCSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CC[NH2+][C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781279 1314681229 /nfs/dbraw/zinc/68/12/29/1314681229.db2.gz RLVURTZIJQBDJZ-XKGZKEIXSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CCN[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781279 1314681232 /nfs/dbraw/zinc/68/12/32/1314681232.db2.gz RLVURTZIJQBDJZ-XKGZKEIXSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CCN[C@@H](C)C4)C3)CC2=O)cc1 ZINC001246781279 1314681236 /nfs/dbraw/zinc/68/12/36/1314681236.db2.gz RLVURTZIJQBDJZ-XKGZKEIXSA-N 1 3 327.472 2.564 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020236525 1314682569 /nfs/dbraw/zinc/68/25/69/1314682569.db2.gz AQCVQYQIMWCWGV-KZNAEPCWSA-N 1 3 347.478 2.540 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020236525 1314682573 /nfs/dbraw/zinc/68/25/73/1314682573.db2.gz AQCVQYQIMWCWGV-KZNAEPCWSA-N 1 3 347.478 2.540 20 0 EFADHO c1ccc(CN2CCC23CN(C2CCC4(CC[NH2+]C4)CC2)C3)cc1 ZINC001246807465 1314685880 /nfs/dbraw/zinc/68/58/80/1314685880.db2.gz JXJLOWPHHDTGTQ-UHFFFAOYSA-N 1 3 325.500 2.869 20 0 EFADHO Brc1cccc([C@H]2CN([C@H]3CCCC[NH2+]C3)CCN2)c1 ZINC001246805386 1314685925 /nfs/dbraw/zinc/68/59/25/1314685925.db2.gz IXDFZPAQLLABDZ-JKSUJKDBSA-N 1 3 338.293 2.538 20 0 EFADHO Clc1ccccc1N1CCN(C2CCC3(CC2)C[NH2+]CCO3)CC1 ZINC001246809285 1314687214 /nfs/dbraw/zinc/68/72/14/1314687214.db2.gz GXNCQGNVJZXEIQ-UHFFFAOYSA-N 1 3 349.906 2.763 20 0 EFADHO F[C@@H]1CNCC[C@H]1N(Cc1ccccc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246831224 1314691138 /nfs/dbraw/zinc/69/11/38/1314691138.db2.gz CABVTFRUHDDLOG-IPMKNSEASA-N 1 3 331.479 2.863 20 0 EFADHO CC(C)[C@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246835392 1314692274 /nfs/dbraw/zinc/69/22/74/1314692274.db2.gz RVEPULOJZCAWIJ-UAFMIMERSA-N 1 3 333.495 2.965 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087723 1314693866 /nfs/dbraw/zinc/69/38/66/1314693866.db2.gz NNFZAMSVOALJAL-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087723 1314693870 /nfs/dbraw/zinc/69/38/70/1314693870.db2.gz NNFZAMSVOALJAL-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO N[C@]12CC[C@H]1C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851756 1314696550 /nfs/dbraw/zinc/69/65/50/1314696550.db2.gz HGCANVDMPKGWSP-WHZJULEDSA-N 1 3 325.500 2.995 20 0 EFADHO N[C@]12CC[C@H]1C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3Cc1ccccc1)C2 ZINC001246851756 1314696553 /nfs/dbraw/zinc/69/65/53/1314696553.db2.gz HGCANVDMPKGWSP-WHZJULEDSA-N 1 3 325.500 2.995 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246889070 1314703739 /nfs/dbraw/zinc/70/37/39/1314703739.db2.gz CSOOQLSPHDOSRC-IXDOHACOSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCN[C@H](CC)C1 ZINC001246889070 1314703744 /nfs/dbraw/zinc/70/37/44/1314703744.db2.gz CSOOQLSPHDOSRC-IXDOHACOSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCN[C@H](CC)C1 ZINC001246889070 1314703750 /nfs/dbraw/zinc/70/37/50/1314703750.db2.gz CSOOQLSPHDOSRC-IXDOHACOSA-N 1 3 328.497 2.587 20 0 EFADHO COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915892 1314707281 /nfs/dbraw/zinc/70/72/81/1314707281.db2.gz QDRFLSUNUYYCPF-HKUYNNGSSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915892 1314707283 /nfs/dbraw/zinc/70/72/83/1314707283.db2.gz QDRFLSUNUYYCPF-HKUYNNGSSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@H]1CCC[C@H](N(Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915892 1314707285 /nfs/dbraw/zinc/70/72/85/1314707285.db2.gz QDRFLSUNUYYCPF-HKUYNNGSSA-N 1 3 330.472 2.972 20 0 EFADHO CC1(C)N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@]12c1ccccc1OC2=O ZINC001246925079 1314709065 /nfs/dbraw/zinc/70/90/65/1314709065.db2.gz KYBFTSZBQDGHKD-STWANXTBSA-N 1 3 326.440 2.611 20 0 EFADHO COC(=O)c1ccc(C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246976783 1314722078 /nfs/dbraw/zinc/72/20/78/1314722078.db2.gz WGJIRVIZPNYVLL-DOTOQJQBSA-N 1 3 330.472 2.868 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001214904687 1314755956 /nfs/dbraw/zinc/75/59/56/1314755956.db2.gz DVIKZOPBRWTPAH-SPNJVZHBSA-N 1 3 343.515 2.723 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001214952672 1314762140 /nfs/dbraw/zinc/76/21/40/1314762140.db2.gz HGGMTOTZAGODPL-ATZDWAIDSA-N 1 3 349.494 2.535 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499729 1314766750 /nfs/dbraw/zinc/76/67/50/1314766750.db2.gz FNTFQJKZSGUTFB-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499729 1314766755 /nfs/dbraw/zinc/76/67/55/1314766755.db2.gz FNTFQJKZSGUTFB-CVEARBPZSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001214998371 1314767142 /nfs/dbraw/zinc/76/71/42/1314767142.db2.gz VWTTULGIYVPZOY-ATZDWAIDSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001215001688 1314767544 /nfs/dbraw/zinc/76/75/44/1314767544.db2.gz OOBKGJFNEXDJOQ-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001214997568 1314767677 /nfs/dbraw/zinc/76/76/77/1314767677.db2.gz JSINGJXPDRDWIU-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643521 1314774244 /nfs/dbraw/zinc/77/42/44/1314774244.db2.gz OJSQGGFYQRPWQI-HZMVEIRTSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400643521 1314774246 /nfs/dbraw/zinc/77/42/46/1314774246.db2.gz OJSQGGFYQRPWQI-HZMVEIRTSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401119829 1314796650 /nfs/dbraw/zinc/79/66/50/1314796650.db2.gz NWJWAOMINCVKQH-MWDXBVQZSA-N 1 3 339.524 2.843 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246237 1314816463 /nfs/dbraw/zinc/81/64/63/1314816463.db2.gz CBXBJKXDLYWIPD-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246237 1314816468 /nfs/dbraw/zinc/81/64/68/1314816468.db2.gz CBXBJKXDLYWIPD-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038267195 1314828345 /nfs/dbraw/zinc/82/83/45/1314828345.db2.gz YHQOGXVECGAERW-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CCC2CCCCCC2)CC[N@H+]1C ZINC001038267195 1314828347 /nfs/dbraw/zinc/82/83/47/1314828347.db2.gz YHQOGXVECGAERW-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c(Cl)c1 ZINC001215461215 1314838792 /nfs/dbraw/zinc/83/87/92/1314838792.db2.gz WOOZPHZCMWFEBT-RHSMWYFYSA-N 1 3 337.895 2.537 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540086 1314847938 /nfs/dbraw/zinc/84/79/38/1314847938.db2.gz IBLIBAQNZNJQCN-MDZRGWNJSA-N 1 3 341.515 2.682 20 0 EFADHO Cc1ccc(-c2ccccc2-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831467 1314849007 /nfs/dbraw/zinc/84/90/07/1314849007.db2.gz SRPKAXOFVYWCSD-SFHVURJKSA-N 1 3 346.434 2.988 20 0 EFADHO c1ccc(Oc2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830169 1314849093 /nfs/dbraw/zinc/84/90/93/1314849093.db2.gz LZAOPVQJTPDOKA-KRWDZBQOSA-N 1 3 348.406 2.805 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001215569272 1314852659 /nfs/dbraw/zinc/85/26/59/1314852659.db2.gz XZLXXFBRADKVPP-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccccc3N(C)C)(C1)CCC2 ZINC001276725993 1314856442 /nfs/dbraw/zinc/85/64/42/1314856442.db2.gz IYJUDCXCBRYHFR-LEWJYISDSA-N 1 3 344.547 2.839 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001215964533 1314896012 /nfs/dbraw/zinc/89/60/12/1314896012.db2.gz DOSJEUCSUZPKMK-QZTJIDSGSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001215999058 1314899028 /nfs/dbraw/zinc/89/90/28/1314899028.db2.gz NJSUKCFFQBEJNL-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO C[NH+](C)CCN1C[C@@H]2CCN(Cc3cc4c(cccc4Cl)[nH]3)[C@@H]2C1 ZINC001276734569 1314907484 /nfs/dbraw/zinc/90/74/84/1314907484.db2.gz ZPGHYSUBVBVNAL-IFXJQAMLSA-N 1 3 346.906 2.889 20 0 EFADHO CC1CCC(CN2CC[C@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038453265 1314941690 /nfs/dbraw/zinc/94/16/90/1314941690.db2.gz GKSYMZMRZRCXIO-ABHNRTSZSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466204 1314951195 /nfs/dbraw/zinc/95/11/95/1314951195.db2.gz RJTMDMHZBGWVHK-MAUKXSAKSA-N 1 3 334.423 2.900 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466204 1314951199 /nfs/dbraw/zinc/95/11/99/1314951199.db2.gz RJTMDMHZBGWVHK-MAUKXSAKSA-N 1 3 334.423 2.900 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001216498900 1314963055 /nfs/dbraw/zinc/96/30/55/1314963055.db2.gz AOMSBNRZQMHDDJ-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001216502685 1314963428 /nfs/dbraw/zinc/96/34/28/1314963428.db2.gz HVDXUZNTPNTBSB-ZHALLVOQSA-N 1 3 331.504 2.834 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001216515130 1314964581 /nfs/dbraw/zinc/96/45/81/1314964581.db2.gz PAWQWVJLKJZCAD-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001216511409 1314965054 /nfs/dbraw/zinc/96/50/54/1314965054.db2.gz RCJDJWOKFXKJOT-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216841294 1315014469 /nfs/dbraw/zinc/01/44/69/1315014469.db2.gz TZGMHXSQUXZCEJ-FRQCXROJSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001216852273 1315015561 /nfs/dbraw/zinc/01/55/61/1315015561.db2.gz TWSNTIBMMCMMHE-MDASCCDHSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)s1 ZINC001216854205 1315016082 /nfs/dbraw/zinc/01/60/82/1315016082.db2.gz TYHNQYTXJOZMHP-CXAGYDPISA-N 1 3 337.533 2.642 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038661548 1315072078 /nfs/dbraw/zinc/07/20/78/1315072078.db2.gz GREORKJPBMIPLO-WMZOPIPTSA-N 1 3 329.488 2.588 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038670990 1315082572 /nfs/dbraw/zinc/08/25/72/1315082572.db2.gz OIPRTOLTWGDNLV-RBUKOAKNSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038670992 1315082622 /nfs/dbraw/zinc/08/26/22/1315082622.db2.gz OIPRTOLTWGDNLV-RTBURBONSA-N 1 3 329.488 2.670 20 0 EFADHO c1cc(N2CCCC2)c(NC2=CC[C@@H](N3CCOCC3)CC2)c[nH+]1 ZINC001249554951 1315095591 /nfs/dbraw/zinc/09/55/91/1315095591.db2.gz KVOONOUCLYKOJE-QGZVFWFLSA-N 1 3 328.460 2.862 20 0 EFADHO C[NH+](C)CCc1ccc(NC2=CC[C@@H](N3CCOCC3)CC2)cc1 ZINC001249567834 1315099001 /nfs/dbraw/zinc/09/90/01/1315099001.db2.gz OOTQPFHGFFSVNH-HXUWFJFHSA-N 1 3 329.488 2.971 20 0 EFADHO c1n[nH]cc1CN1CC[C@H]2C[N@H+](CC3CCSCC3)C[C@H]2CC1 ZINC001276762963 1315118689 /nfs/dbraw/zinc/11/86/89/1315118689.db2.gz AOGGISKSOVLQLV-HDICACEKSA-N 1 3 334.533 2.697 20 0 EFADHO c1n[nH]cc1CN1CC[C@H]2C[N@@H+](CC3CCSCC3)C[C@H]2CC1 ZINC001276762963 1315118691 /nfs/dbraw/zinc/11/86/91/1315118691.db2.gz AOGGISKSOVLQLV-HDICACEKSA-N 1 3 334.533 2.697 20 0 EFADHO c1ccc(CN2CCOC[C@H](OCCCC3CC[NH2+]CC3)C2)cc1 ZINC001217896427 1315119903 /nfs/dbraw/zinc/11/99/03/1315119903.db2.gz ZDRRNQYAAZZRSV-HXUWFJFHSA-N 1 3 332.488 2.684 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038724031 1315120784 /nfs/dbraw/zinc/12/07/84/1315120784.db2.gz IYFNVYOLFZEKCG-ZCNNSNEGSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)CCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038724031 1315120785 /nfs/dbraw/zinc/12/07/85/1315120785.db2.gz IYFNVYOLFZEKCG-ZCNNSNEGSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038724030 1315120824 /nfs/dbraw/zinc/12/08/24/1315120824.db2.gz IYFNVYOLFZEKCG-AQNXPRMDSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038724030 1315120828 /nfs/dbraw/zinc/12/08/28/1315120828.db2.gz IYFNVYOLFZEKCG-AQNXPRMDSA-N 1 3 343.515 2.568 20 0 EFADHO CC[C@]1(c2cccc(OC[C@H]3CNCCO3)c2)CCCC[N@H+](C)C1 ZINC001218179405 1315160189 /nfs/dbraw/zinc/16/01/89/1315160189.db2.gz OVYDQWZXCFRWBU-UXHICEINSA-N 1 3 332.488 2.817 20 0 EFADHO CC[C@]1(c2cccc(OC[C@H]3CNCCO3)c2)CCCC[N@@H+](C)C1 ZINC001218179405 1315160193 /nfs/dbraw/zinc/16/01/93/1315160193.db2.gz OVYDQWZXCFRWBU-UXHICEINSA-N 1 3 332.488 2.817 20 0 EFADHO CC(C)n1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001276776569 1315166283 /nfs/dbraw/zinc/16/62/83/1315166283.db2.gz QRRXVOHKLUCAMZ-UHFFFAOYSA-N 1 3 347.551 2.704 20 0 EFADHO CC(C)n1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001276776569 1315166286 /nfs/dbraw/zinc/16/62/86/1315166286.db2.gz QRRXVOHKLUCAMZ-UHFFFAOYSA-N 1 3 347.551 2.704 20 0 EFADHO CCOc1cc(C)ccc1CN1CC[C@H]2[C@H]1CC[N@@H+]2CCN(C)C ZINC001250177517 1315181628 /nfs/dbraw/zinc/18/16/28/1315181628.db2.gz AQNVCHAXIOKVOE-RBUKOAKNSA-N 1 3 331.504 2.604 20 0 EFADHO CCOc1cc(C)ccc1CN1CC[C@H]2[C@H]1CC[N@H+]2CCN(C)C ZINC001250177517 1315181632 /nfs/dbraw/zinc/18/16/32/1315181632.db2.gz AQNVCHAXIOKVOE-RBUKOAKNSA-N 1 3 331.504 2.604 20 0 EFADHO Clc1ccncc1CN1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276784758 1315192365 /nfs/dbraw/zinc/19/23/65/1315192365.db2.gz LORLQKACPQTUPU-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO Clc1ccncc1CN1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276784758 1315192369 /nfs/dbraw/zinc/19/23/69/1315192369.db2.gz LORLQKACPQTUPU-IYBDPMFKSA-N 1 3 345.878 2.802 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2C(C)C)CC[N@@H+]1C ZINC001054042147 1315209370 /nfs/dbraw/zinc/20/93/70/1315209370.db2.gz PVDHZFPQYGUDJG-HSALFYBXSA-N 1 3 343.515 2.668 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2Cc3ccccc3CN2C(C)C)CC[N@H+]1C ZINC001054042147 1315209375 /nfs/dbraw/zinc/20/93/75/1315209375.db2.gz PVDHZFPQYGUDJG-HSALFYBXSA-N 1 3 343.515 2.668 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(Cl)cc(Cl)n1 ZINC001218537519 1315212514 /nfs/dbraw/zinc/21/25/14/1315212514.db2.gz DTPGPTHAIQTZOU-NSHDSACASA-N 1 3 333.263 2.823 20 0 EFADHO CN(C)c1ccncc1NC(=O)[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC001218563236 1315215337 /nfs/dbraw/zinc/21/53/37/1315215337.db2.gz NOKHNUPQAOCYIY-HXUWFJFHSA-N 1 3 338.455 2.699 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050169 1315222607 /nfs/dbraw/zinc/22/26/07/1315222607.db2.gz UGIIUJQKUQJSQN-QRFRQXIXSA-N 1 3 343.515 2.668 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050169 1315222613 /nfs/dbraw/zinc/22/26/13/1315222613.db2.gz UGIIUJQKUQJSQN-QRFRQXIXSA-N 1 3 343.515 2.668 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001054050170 1315223402 /nfs/dbraw/zinc/22/34/02/1315223402.db2.gz UGIIUJQKUQJSQN-XKGZKEIXSA-N 1 3 343.515 2.668 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001054050170 1315223405 /nfs/dbraw/zinc/22/34/05/1315223405.db2.gz UGIIUJQKUQJSQN-XKGZKEIXSA-N 1 3 343.515 2.668 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052058 1315227615 /nfs/dbraw/zinc/22/76/15/1315227615.db2.gz NYIOKEKUIPYPNI-FQEVSTJZSA-N 1 3 343.515 2.527 20 0 EFADHO CCCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052505 1315229297 /nfs/dbraw/zinc/22/92/97/1315229297.db2.gz YSFHAPLRSQRQAL-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1cncc(-c2ccccc2)c1 ZINC001218671751 1315229638 /nfs/dbraw/zinc/22/96/38/1315229638.db2.gz RLMZXTJKSDCBEH-SFHVURJKSA-N 1 3 326.444 2.746 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1CC[C@@H](c2ccccc2)[NH2+]C1 ZINC001218710989 1315233581 /nfs/dbraw/zinc/23/35/81/1315233581.db2.gz JVJXUYNDEFSDBM-JYJNAYRXSA-N 1 3 340.427 2.779 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1CC[C@H](c2ccccc2)[NH2+]C1 ZINC001218710992 1315233963 /nfs/dbraw/zinc/23/39/63/1315233963.db2.gz JVJXUYNDEFSDBM-XHSDSOJGSA-N 1 3 340.427 2.779 20 0 EFADHO Nc1cn(C(=O)[C@@H](N)CC2CCC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708102 1315234027 /nfs/dbraw/zinc/23/40/27/1315234027.db2.gz CVWBKAOGLJSQQQ-HNNXBMFYSA-N 1 3 328.391 2.514 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2ccccc2)cnn1 ZINC001218777817 1315241417 /nfs/dbraw/zinc/24/14/17/1315241417.db2.gz MLWVVHAKKIZQCE-KRWDZBQOSA-N 1 3 341.459 2.578 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC001250688431 1315243230 /nfs/dbraw/zinc/24/32/30/1315243230.db2.gz WCPKQBXOMFMZIT-WCXIOVBPSA-N 1 3 338.879 2.685 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC[C@@H](O)COc1ccc(Cl)cc1)C2 ZINC001250688431 1315243233 /nfs/dbraw/zinc/24/32/33/1315243233.db2.gz WCPKQBXOMFMZIT-WCXIOVBPSA-N 1 3 338.879 2.685 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054060655 1315244120 /nfs/dbraw/zinc/24/41/20/1315244120.db2.gz QEYRWUBTYXPSHX-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054060655 1315244122 /nfs/dbraw/zinc/24/41/22/1315244122.db2.gz QEYRWUBTYXPSHX-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO N[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1Cl)C1CC[NH2+]CC1 ZINC001218829652 1315247659 /nfs/dbraw/zinc/24/76/59/1315247659.db2.gz CPELCUQBXKRCIB-LBPRGKRZSA-N 1 3 335.757 2.624 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796604 1315246001 /nfs/dbraw/zinc/24/60/01/1315246001.db2.gz SQKKTHKKQGIEIA-FQEVSTJZSA-N 1 3 332.536 2.871 20 0 EFADHO Cc1cc(C)c(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)[nH]1 ZINC001276796604 1315246003 /nfs/dbraw/zinc/24/60/03/1315246003.db2.gz SQKKTHKKQGIEIA-FQEVSTJZSA-N 1 3 332.536 2.871 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC001218846301 1315249244 /nfs/dbraw/zinc/24/92/44/1315249244.db2.gz SLRXFSPZAICLRO-GOSISDBHSA-N 1 3 346.519 2.526 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3n[nH]c4ccccc43)(C1)CCC2 ZINC001276797089 1315250810 /nfs/dbraw/zinc/25/08/10/1315250810.db2.gz WBQZCVRBILRCES-VQTJNVASSA-N 1 3 341.503 2.649 20 0 EFADHO CCCc1nc2ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cc2o1 ZINC001218867292 1315253027 /nfs/dbraw/zinc/25/30/27/1315253027.db2.gz KOHUZMSIRKZBCA-AWEZNQCLSA-N 1 3 332.448 2.778 20 0 EFADHO CC(C)(C[NH3+])c1ccc(NC(=O)c2cc3c(s2)CNCC3)cc1 ZINC001218896699 1315256577 /nfs/dbraw/zinc/25/65/77/1315256577.db2.gz BLYRNEZNEQWMBZ-UHFFFAOYSA-N 1 3 329.469 2.882 20 0 EFADHO CC(C)(C[NH3+])c1ccc(NC(=O)c2csc3c2CCNC3)cc1 ZINC001218898159 1315256875 /nfs/dbraw/zinc/25/68/75/1315256875.db2.gz ZVGLSSSNSVUJFS-UHFFFAOYSA-N 1 3 329.469 2.882 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(Cc1cc3ccccc3[nH]1)C2 ZINC001276798607 1315258701 /nfs/dbraw/zinc/25/87/01/1315258701.db2.gz VEQLYUJXZXFVPA-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1-c1cnco1 ZINC001218927456 1315260400 /nfs/dbraw/zinc/26/04/00/1315260400.db2.gz GOYLQGPUVKJJRF-HNNXBMFYSA-N 1 3 330.432 2.776 20 0 EFADHO COc1ccc(-c2ccccc2NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218953773 1315263812 /nfs/dbraw/zinc/26/38/12/1315263812.db2.gz TUICTDUTWCVLQJ-IBGZPJMESA-N 1 3 339.439 2.628 20 0 EFADHO Cc1ccccc1-c1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218956296 1315264256 /nfs/dbraw/zinc/26/42/56/1315264256.db2.gz RXOOKAFQOYWEGV-DYESRHJHSA-N 1 3 335.451 2.800 20 0 EFADHO [NH3+]C1(c2ccc(NC(=O)c3csc4c3CCNC4)cc2)CCC1 ZINC001218973693 1315266464 /nfs/dbraw/zinc/26/64/64/1315266464.db2.gz ORMIPLAQQAOGQE-UHFFFAOYSA-N 1 3 327.453 2.984 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(-c2ccncn2)cc1 ZINC001218978051 1315267140 /nfs/dbraw/zinc/26/71/40/1315267140.db2.gz RYHWQJPPZXGPTN-KRWDZBQOSA-N 1 3 341.459 2.578 20 0 EFADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1csc([C@@H]2CCCN2)n1 ZINC001218998241 1315270699 /nfs/dbraw/zinc/27/06/99/1315270699.db2.gz MXOHQNFJLCYDHZ-ZFWWWQNUSA-N 1 3 342.468 2.897 20 0 EFADHO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1csc([C@H]2CCCN2)n1 ZINC001218998240 1315270715 /nfs/dbraw/zinc/27/07/15/1315270715.db2.gz MXOHQNFJLCYDHZ-UKRRQHHQSA-N 1 3 342.468 2.897 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)C1(CC2CCC2)CC[NH2+]CC1 ZINC001219029972 1315274976 /nfs/dbraw/zinc/27/49/76/1315274976.db2.gz XKWCTFDALPFINZ-UHFFFAOYSA-N 1 3 343.471 2.667 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001038897694 1315276669 /nfs/dbraw/zinc/27/66/69/1315276669.db2.gz XCYAAQWSXCIPAL-HXUWFJFHSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(Br)cc(C(C)C)c1NC(=O)[C@@H](N)CCC[NH3+] ZINC001219133882 1315284481 /nfs/dbraw/zinc/28/44/81/1315284481.db2.gz IAJRYIPUQCARNZ-ZDUSSCGKSA-N 1 3 342.281 2.886 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(F)c2cnccc12 ZINC001219200454 1315290108 /nfs/dbraw/zinc/29/01/08/1315290108.db2.gz XFLNNJNFEKJMDP-INIZCTEOSA-N 1 3 332.423 2.808 20 0 EFADHO O[C@H](CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC001250978066 1315305564 /nfs/dbraw/zinc/30/55/64/1315305564.db2.gz PFZJLYUEYUUFER-BRWVUGGUSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC001250978066 1315305569 /nfs/dbraw/zinc/30/55/69/1315305569.db2.gz PFZJLYUEYUUFER-BRWVUGGUSA-N 1 3 342.405 2.754 20 0 EFADHO O=C(Nc1cc(C2CCCCC2)ccc1O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219398812 1315308839 /nfs/dbraw/zinc/30/88/39/1315308839.db2.gz XUUSTMBQAYXIPL-OXQOHEQNSA-N 1 3 343.471 2.578 20 0 EFADHO CC[NH+](CC)CCNC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001219553878 1315322591 /nfs/dbraw/zinc/32/25/91/1315322591.db2.gz PJNVYBGRZBEVGP-HXUWFJFHSA-N 1 3 339.483 2.681 20 0 EFADHO CCCCN(CC)[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC001219635452 1315330978 /nfs/dbraw/zinc/33/09/78/1315330978.db2.gz HGVKJVLROHAMLG-OKZBNKHCSA-N 1 3 335.467 2.666 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054128870 1315337522 /nfs/dbraw/zinc/33/75/22/1315337522.db2.gz GAFCFDRHLJRYHK-MJGOQNOKSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054128870 1315337529 /nfs/dbraw/zinc/33/75/29/1315337529.db2.gz GAFCFDRHLJRYHK-MJGOQNOKSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054129569 1315338888 /nfs/dbraw/zinc/33/88/88/1315338888.db2.gz UTBAZRDEFAOWIO-QUCCMNQESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054129569 1315338891 /nfs/dbraw/zinc/33/88/91/1315338891.db2.gz UTBAZRDEFAOWIO-QUCCMNQESA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](N)CC1CCC1)CC21CC[NH2+]CC1 ZINC001219757307 1315344283 /nfs/dbraw/zinc/34/42/83/1315344283.db2.gz LABABCLWQQPRCF-OALUTQOASA-N 1 3 341.499 2.695 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054140533 1315355425 /nfs/dbraw/zinc/35/54/25/1315355425.db2.gz PFRYLBOJKMSUBZ-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054140533 1315355428 /nfs/dbraw/zinc/35/54/28/1315355428.db2.gz PFRYLBOJKMSUBZ-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054140902 1315355471 /nfs/dbraw/zinc/35/54/71/1315355471.db2.gz BJKSCAROGNLGKD-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1CCC)C2 ZINC001054140902 1315355475 /nfs/dbraw/zinc/35/54/75/1315355475.db2.gz BJKSCAROGNLGKD-UYAOXDASSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001054141265 1315356490 /nfs/dbraw/zinc/35/64/90/1315356490.db2.gz IBYBRCQPJHCLSO-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054141265 1315356496 /nfs/dbraw/zinc/35/64/96/1315356496.db2.gz IBYBRCQPJHCLSO-PKOBYXMFSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143827 1315361003 /nfs/dbraw/zinc/36/10/03/1315361003.db2.gz LGNTXFGCTXTSQK-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054143827 1315361007 /nfs/dbraw/zinc/36/10/07/1315361007.db2.gz LGNTXFGCTXTSQK-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001054144056 1315361269 /nfs/dbraw/zinc/36/12/69/1315361269.db2.gz PFPUNTNBTYBZQL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001054144056 1315361274 /nfs/dbraw/zinc/36/12/74/1315361274.db2.gz PFPUNTNBTYBZQL-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145344 1315364703 /nfs/dbraw/zinc/36/47/03/1315364703.db2.gz NSNSHUAEGWUEIG-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145344 1315364707 /nfs/dbraw/zinc/36/47/07/1315364707.db2.gz NSNSHUAEGWUEIG-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO CC1(C)C[NH2+][C@@](C)(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001219999429 1315364783 /nfs/dbraw/zinc/36/47/83/1315364783.db2.gz SYUKTEFWRLCKOQ-YLJYHZDGSA-N 1 3 329.488 2.718 20 0 EFADHO CC[C@@H](O)C[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001251769226 1315376928 /nfs/dbraw/zinc/37/69/28/1315376928.db2.gz PJMJJINUEUQQQW-RTBURBONSA-N 1 3 332.488 2.513 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC001251933354 1315389591 /nfs/dbraw/zinc/38/95/91/1315389591.db2.gz BTWBZOFRTIEHGU-GOSISDBHSA-N 1 3 338.467 2.762 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC001251933354 1315389594 /nfs/dbraw/zinc/38/95/94/1315389594.db2.gz BTWBZOFRTIEHGU-GOSISDBHSA-N 1 3 338.467 2.762 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001220258109 1315391597 /nfs/dbraw/zinc/39/15/97/1315391597.db2.gz COAZWTVZSBXVJE-INIZCTEOSA-N 1 3 337.895 2.547 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCc1ccc(OC(C)C)cc1 ZINC001220280034 1315393795 /nfs/dbraw/zinc/39/37/95/1315393795.db2.gz KXGNDKJVEPXAOQ-IBGZPJMESA-N 1 3 349.519 2.628 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)N1CCCC1 ZINC001054174277 1315410194 /nfs/dbraw/zinc/41/01/94/1315410194.db2.gz LPHUMTTVYBRROA-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)N1CCCC1 ZINC001054174277 1315410196 /nfs/dbraw/zinc/41/01/96/1315410196.db2.gz LPHUMTTVYBRROA-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001054176382 1315413567 /nfs/dbraw/zinc/41/35/67/1315413567.db2.gz FSTCUJSBOYWWCT-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001054176382 1315413569 /nfs/dbraw/zinc/41/35/69/1315413569.db2.gz FSTCUJSBOYWWCT-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1)N1CCCC1 ZINC001054176417 1315413962 /nfs/dbraw/zinc/41/39/62/1315413962.db2.gz GLSXYFZPWBDANP-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1)N1CCCC1 ZINC001054176417 1315413964 /nfs/dbraw/zinc/41/39/64/1315413964.db2.gz GLSXYFZPWBDANP-IBGZPJMESA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001039050991 1315423275 /nfs/dbraw/zinc/42/32/75/1315423275.db2.gz QXYRXAISOWFIBX-SFHVURJKSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001039050991 1315423278 /nfs/dbraw/zinc/42/32/78/1315423278.db2.gz QXYRXAISOWFIBX-SFHVURJKSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC001252284710 1315428341 /nfs/dbraw/zinc/42/83/41/1315428341.db2.gz CJWMKNMTLGMMEF-PWRODBHTSA-N 1 3 346.515 2.903 20 0 EFADHO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC001252284710 1315428345 /nfs/dbraw/zinc/42/83/45/1315428345.db2.gz CJWMKNMTLGMMEF-PWRODBHTSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC001252284710 1315428349 /nfs/dbraw/zinc/42/83/49/1315428349.db2.gz CJWMKNMTLGMMEF-PWRODBHTSA-N 1 3 346.515 2.903 20 0 EFADHO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1C[C@@H](O)COCc1ccccc1 ZINC001252284710 1315428353 /nfs/dbraw/zinc/42/83/53/1315428353.db2.gz CJWMKNMTLGMMEF-PWRODBHTSA-N 1 3 346.515 2.903 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC(C)(C)O)CC2 ZINC001252351916 1315437351 /nfs/dbraw/zinc/43/73/51/1315437351.db2.gz KYZDFOBRMQSYPC-GOSISDBHSA-N 1 3 332.488 2.513 20 0 EFADHO O[C@H](C[NH2+]CCCN1CCCC1)COc1cccc2ccccc21 ZINC001252373391 1315440738 /nfs/dbraw/zinc/44/07/38/1315440738.db2.gz VCHOPDUGXGQPTK-GOSISDBHSA-N 1 3 328.456 2.655 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)C1 ZINC001054197374 1315441031 /nfs/dbraw/zinc/44/10/31/1315441031.db2.gz WZPOCZJTZGJVSL-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)C1 ZINC001054197374 1315441037 /nfs/dbraw/zinc/44/10/37/1315441037.db2.gz WZPOCZJTZGJVSL-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054198277 1315444110 /nfs/dbraw/zinc/44/41/10/1315444110.db2.gz UKVOSTRYQWAUMU-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054198277 1315444115 /nfs/dbraw/zinc/44/41/15/1315444115.db2.gz UKVOSTRYQWAUMU-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc3ccccc32)C1 ZINC001252393944 1315444908 /nfs/dbraw/zinc/44/49/08/1315444908.db2.gz HJWBXFWPGDCRIA-WMZOPIPTSA-N 1 3 328.456 2.511 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc3ccccc32)C1 ZINC001252393944 1315444911 /nfs/dbraw/zinc/44/49/11/1315444911.db2.gz HJWBXFWPGDCRIA-WMZOPIPTSA-N 1 3 328.456 2.511 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC001252396529 1315445561 /nfs/dbraw/zinc/44/55/61/1315445561.db2.gz NCCFMQHELGEINH-QZTJIDSGSA-N 1 3 328.456 2.653 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)NCc1ccccc1Oc1ccc(Cl)cc1 ZINC001220734630 1315445890 /nfs/dbraw/zinc/44/58/90/1315445890.db2.gz ZVEFHHJUQGNICQ-MRXNPFEDSA-N 1 3 347.846 2.815 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001054205521 1315453388 /nfs/dbraw/zinc/45/33/88/1315453388.db2.gz SROPAPWDAIVUBV-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001054205521 1315453392 /nfs/dbraw/zinc/45/33/92/1315453392.db2.gz SROPAPWDAIVUBV-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205172 1315453775 /nfs/dbraw/zinc/45/37/75/1315453775.db2.gz LZXRXTKRUXVQHP-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054205172 1315453778 /nfs/dbraw/zinc/45/37/78/1315453778.db2.gz LZXRXTKRUXVQHP-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO O=C(NC1(c2cccc3ccccc32)CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220878690 1315459387 /nfs/dbraw/zinc/45/93/87/1315459387.db2.gz MLMUVMDZJKOWCN-LJQANCHMSA-N 1 3 349.478 2.819 20 0 EFADHO O=C(NC1(c2cccc3ccccc32)CC1)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220878690 1315459391 /nfs/dbraw/zinc/45/93/91/1315459391.db2.gz MLMUVMDZJKOWCN-LJQANCHMSA-N 1 3 349.478 2.819 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054209566 1315460781 /nfs/dbraw/zinc/46/07/81/1315460781.db2.gz SMCAQBYTRRLDNW-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054209566 1315460784 /nfs/dbraw/zinc/46/07/84/1315460784.db2.gz SMCAQBYTRRLDNW-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1ccc(CN(CC[NH3+])C(=O)c2cc3c(s2)CNCC3)cc1 ZINC001220907510 1315462410 /nfs/dbraw/zinc/46/24/10/1315462410.db2.gz VIZRLLNACWEHCH-UHFFFAOYSA-N 1 3 343.496 2.557 20 0 EFADHO CCc1ccc(CN(CC[NH3+])C(=O)c2csc3c2CCNC3)cc1 ZINC001220907350 1315462733 /nfs/dbraw/zinc/46/27/33/1315462733.db2.gz NYPZNWVYYFDZJU-UHFFFAOYSA-N 1 3 343.496 2.557 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)c1csc2c1CCNC2 ZINC001220917187 1315463000 /nfs/dbraw/zinc/46/30/00/1315463000.db2.gz QLXGBHYYCAFTCG-HNNXBMFYSA-N 1 3 347.528 2.778 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)c1csc2c1CCNC2 ZINC001220917187 1315463005 /nfs/dbraw/zinc/46/30/05/1315463005.db2.gz QLXGBHYYCAFTCG-HNNXBMFYSA-N 1 3 347.528 2.778 20 0 EFADHO Cc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001220958702 1315467279 /nfs/dbraw/zinc/46/72/79/1315467279.db2.gz QPXRHMZLROLNHX-SFHVURJKSA-N 1 3 333.520 2.928 20 0 EFADHO CC(C)OC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252692683 1315488320 /nfs/dbraw/zinc/48/83/20/1315488320.db2.gz CXHGCDOYSDILPZ-IYWMVGAKSA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)OC[C@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252692683 1315488325 /nfs/dbraw/zinc/48/83/25/1315488325.db2.gz CXHGCDOYSDILPZ-IYWMVGAKSA-N 1 3 332.488 2.558 20 0 EFADHO COc1ccccc1CC(C)(C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001221168281 1315488483 /nfs/dbraw/zinc/48/84/83/1315488483.db2.gz GNRZQQKYIOLJJA-KRWDZBQOSA-N 1 3 349.519 2.628 20 0 EFADHO CC(C)(C)[C@@H](N)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221204368 1315492055 /nfs/dbraw/zinc/49/20/55/1315492055.db2.gz IYXDPHKCOOVLRF-SJORKVTESA-N 1 3 335.467 2.746 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F)N(C)C ZINC001221204018 1315492286 /nfs/dbraw/zinc/49/22/86/1315492286.db2.gz GNKVKSSSCSHFRS-RBUKOAKNSA-N 1 3 349.494 2.959 20 0 EFADHO CN1CCC[C@@](C)(NC(=O)C[C@@H]([NH3+])Cc2ccc3ccccc3c2)C1 ZINC001221241749 1315496220 /nfs/dbraw/zinc/49/62/20/1315496220.db2.gz ZKMZKHFAAVTPDM-PZJWPPBQSA-N 1 3 339.483 2.700 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]CCCN2CCCC2)cc1 ZINC001252747168 1315499802 /nfs/dbraw/zinc/49/98/02/1315499802.db2.gz VNANYNVMQGDHAW-GOSISDBHSA-N 1 3 334.504 2.799 20 0 EFADHO C[N@@H+]1CCC[C@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762461 1315502526 /nfs/dbraw/zinc/50/25/26/1315502526.db2.gz HRNOUUPGMFWVKQ-ROUUACIJSA-N 1 3 334.504 2.798 20 0 EFADHO C[N@H+]1CCC[C@H](NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762461 1315502530 /nfs/dbraw/zinc/50/25/30/1315502530.db2.gz HRNOUUPGMFWVKQ-ROUUACIJSA-N 1 3 334.504 2.798 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764163 1315503758 /nfs/dbraw/zinc/50/37/58/1315503758.db2.gz YROMAUJRJBOQLK-FUHWJXTLSA-N 1 3 334.504 2.655 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764163 1315503761 /nfs/dbraw/zinc/50/37/61/1315503761.db2.gz YROMAUJRJBOQLK-FUHWJXTLSA-N 1 3 334.504 2.655 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252765142 1315503918 /nfs/dbraw/zinc/50/39/18/1315503918.db2.gz OSLUHYZEMOVLQT-MSOLQXFVSA-N 1 3 334.504 2.798 20 0 EFADHO CCC[C@@H](O)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001252781219 1315506148 /nfs/dbraw/zinc/50/61/48/1315506148.db2.gz FTENOPCNCKGMRA-LJQANCHMSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134310 1315518120 /nfs/dbraw/zinc/51/81/20/1315518120.db2.gz OZDZNIPGNBBTTJ-PMACEKPBSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039134310 1315518125 /nfs/dbraw/zinc/51/81/25/1315518125.db2.gz OZDZNIPGNBBTTJ-PMACEKPBSA-N 1 3 347.547 2.853 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC001252865591 1315518380 /nfs/dbraw/zinc/51/83/80/1315518380.db2.gz LMOQIYZTUURCFQ-HXUWFJFHSA-N 1 3 343.446 2.756 20 0 EFADHO CC(C)N(C(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1)C(C)(C)C[NH3+] ZINC001221395141 1315519526 /nfs/dbraw/zinc/51/95/26/1315519526.db2.gz NNKGKBGXVWIZRT-QGZVFWFLSA-N 1 3 333.520 2.828 20 0 EFADHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001221402882 1315521096 /nfs/dbraw/zinc/52/10/96/1315521096.db2.gz NCCGWTHOERHTOY-FPTRTVAXSA-N 1 3 347.547 2.767 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039138549 1315526666 /nfs/dbraw/zinc/52/66/66/1315526666.db2.gz XTUQNSDURRTLLH-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039138549 1315526669 /nfs/dbraw/zinc/52/66/69/1315526669.db2.gz XTUQNSDURRTLLH-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537532 1315549046 /nfs/dbraw/zinc/54/90/46/1315549046.db2.gz FTKKRSKKOILDIV-UWCDRFHNSA-N 1 3 333.520 2.748 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537532 1315549050 /nfs/dbraw/zinc/54/90/50/1315549050.db2.gz FTKKRSKKOILDIV-UWCDRFHNSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039153538 1315549143 /nfs/dbraw/zinc/54/91/43/1315549143.db2.gz BBDPGIUCMABYQJ-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039153538 1315549147 /nfs/dbraw/zinc/54/91/47/1315549147.db2.gz BBDPGIUCMABYQJ-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588113 1315558443 /nfs/dbraw/zinc/55/84/43/1315558443.db2.gz UMLQEPIHBNEJMK-PUSMVSPTSA-N 1 3 339.499 2.555 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588113 1315558448 /nfs/dbraw/zinc/55/84/48/1315558448.db2.gz UMLQEPIHBNEJMK-PUSMVSPTSA-N 1 3 339.499 2.555 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164707 1315563883 /nfs/dbraw/zinc/56/38/83/1315563883.db2.gz LGDPJNSDKMMEPY-HKUYNNGSSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039164707 1315563887 /nfs/dbraw/zinc/56/38/87/1315563887.db2.gz LGDPJNSDKMMEPY-HKUYNNGSSA-N 1 3 335.536 2.545 20 0 EFADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165258 1315564912 /nfs/dbraw/zinc/56/49/12/1315564912.db2.gz LHMZFPAYEUGYSE-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039165258 1315564915 /nfs/dbraw/zinc/56/49/15/1315564915.db2.gz LHMZFPAYEUGYSE-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039166274 1315566787 /nfs/dbraw/zinc/56/67/87/1315566787.db2.gz UTUAPKOYFQIPAL-FQEVSTJZSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039166274 1315566791 /nfs/dbraw/zinc/56/67/91/1315566791.db2.gz UTUAPKOYFQIPAL-FQEVSTJZSA-N 1 3 349.563 2.935 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001221657065 1315571900 /nfs/dbraw/zinc/57/19/00/1315571900.db2.gz IBKJEDSRHGFJNY-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001221657065 1315571905 /nfs/dbraw/zinc/57/19/05/1315571905.db2.gz IBKJEDSRHGFJNY-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001054735761 1315572664 /nfs/dbraw/zinc/57/26/64/1315572664.db2.gz HNSAOCNCINZILP-FXAWDEMLSA-N 1 3 343.515 2.724 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCCCc1ccc(C(F)(F)F)cc1 ZINC001253207758 1315580539 /nfs/dbraw/zinc/58/05/39/1315580539.db2.gz JEBXJQLJMWXKPO-INIZCTEOSA-N 1 3 332.410 2.930 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccccc2OC)CCC1 ZINC001253214733 1315581980 /nfs/dbraw/zinc/58/19/80/1315581980.db2.gz RGLXZKAOBCDUBR-GOSISDBHSA-N 1 3 334.504 2.700 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039182176 1315590014 /nfs/dbraw/zinc/59/00/14/1315590014.db2.gz KIXKEVNOAOMPLK-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039182176 1315590015 /nfs/dbraw/zinc/59/00/15/1315590015.db2.gz KIXKEVNOAOMPLK-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CCOCc2ccccc2)C1 ZINC001253288684 1315590040 /nfs/dbraw/zinc/59/00/40/1315590040.db2.gz AJJYFSOLUWCSFJ-SFHLNBCPSA-N 1 3 348.531 2.912 20 0 EFADHO COc1cccc2c1CC[C@H](CCCNC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253411355 1315601607 /nfs/dbraw/zinc/60/16/07/1315601607.db2.gz JLKPFWYQSIIETM-WMZOPIPTSA-N 1 3 348.531 2.919 20 0 EFADHO COc1cccc2c1CC[C@H](CCC[NH2+]C[C@H](O)CNC(C)(C)C)C2 ZINC001253411355 1315601609 /nfs/dbraw/zinc/60/16/09/1315601609.db2.gz JLKPFWYQSIIETM-WMZOPIPTSA-N 1 3 348.531 2.919 20 0 EFADHO CCCCN1CCC([N@H+](C)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137370640 1315608982 /nfs/dbraw/zinc/60/89/82/1315608982.db2.gz MLQULLTZLYOIJG-UHFFFAOYSA-N 1 3 327.476 2.964 20 0 EFADHO CCCCN1CCC([N@@H+](C)Cc2ccc(-n3ccnn3)cc2)CC1 ZINC001137370640 1315608984 /nfs/dbraw/zinc/60/89/84/1315608984.db2.gz MLQULLTZLYOIJG-UHFFFAOYSA-N 1 3 327.476 2.964 20 0 EFADHO CCCCC[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001253553814 1315614777 /nfs/dbraw/zinc/61/47/77/1315614777.db2.gz IOSIYTKDTCRPSJ-IBGZPJMESA-N 1 3 334.504 2.544 20 0 EFADHO CCCCC[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001253553815 1315614945 /nfs/dbraw/zinc/61/49/45/1315614945.db2.gz IOSIYTKDTCRPSJ-LJQANCHMSA-N 1 3 334.504 2.544 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CCC2)C1)C1CCC1 ZINC001039213201 1315629217 /nfs/dbraw/zinc/62/92/17/1315629217.db2.gz ISPSOGDCLVGUFK-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CC2CCC2)C1)C1CCC1 ZINC001039213201 1315629219 /nfs/dbraw/zinc/62/92/19/1315629219.db2.gz ISPSOGDCLVGUFK-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(C[C@H](O)C(C)C)CC2 ZINC001253759137 1315635586 /nfs/dbraw/zinc/63/55/86/1315635586.db2.gz GKAYOMXVAXRHLV-SFHVURJKSA-N 1 3 335.492 2.739 20 0 EFADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C[C@H](O)C(C)C)CC2 ZINC001253759137 1315635588 /nfs/dbraw/zinc/63/55/88/1315635588.db2.gz GKAYOMXVAXRHLV-SFHVURJKSA-N 1 3 335.492 2.739 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001000192427 1315648342 /nfs/dbraw/zinc/64/83/42/1315648342.db2.gz MHHKYJZZXOUUQW-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227842 1315649508 /nfs/dbraw/zinc/64/95/08/1315649508.db2.gz CNNILLPNWOXMTR-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001039227842 1315649511 /nfs/dbraw/zinc/64/95/11/1315649511.db2.gz CNNILLPNWOXMTR-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001254033949 1315667705 /nfs/dbraw/zinc/66/77/05/1315667705.db2.gz BINSZKJWARJDOS-MRXNPFEDSA-N 1 3 338.442 2.991 20 0 EFADHO C[C@@H]1C[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001254033949 1315667708 /nfs/dbraw/zinc/66/77/08/1315667708.db2.gz BINSZKJWARJDOS-MRXNPFEDSA-N 1 3 338.442 2.991 20 0 EFADHO CCCO[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035728 1315667789 /nfs/dbraw/zinc/66/77/89/1315667789.db2.gz ALUMBENNOHNMCF-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CCCO[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254035728 1315667792 /nfs/dbraw/zinc/66/77/92/1315667792.db2.gz ALUMBENNOHNMCF-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO COCCC1CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254036989 1315667904 /nfs/dbraw/zinc/66/79/04/1315667904.db2.gz MGNZLXPEUGHRSY-UHFFFAOYSA-N 1 3 346.515 2.762 20 0 EFADHO C[N@H+](C[C@@H]1CCCCO1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038944 1315668403 /nfs/dbraw/zinc/66/84/03/1315668403.db2.gz SNMGJJXQAGBIJJ-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO C[N@@H+](C[C@@H]1CCCCO1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254038944 1315668406 /nfs/dbraw/zinc/66/84/06/1315668406.db2.gz SNMGJJXQAGBIJJ-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CO[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254042231 1315668629 /nfs/dbraw/zinc/66/86/29/1315668629.db2.gz BISJMIHVGPNCMA-PKOBYXMFSA-N 1 3 332.488 2.513 20 0 EFADHO CO[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254042231 1315668631 /nfs/dbraw/zinc/66/86/31/1315668631.db2.gz BISJMIHVGPNCMA-PKOBYXMFSA-N 1 3 332.488 2.513 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001254206345 1315681771 /nfs/dbraw/zinc/68/17/71/1315681771.db2.gz TWEFOADJKAGQKY-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@@H]3Cc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001254289286 1315691524 /nfs/dbraw/zinc/69/15/24/1315691524.db2.gz SAMVVURFRQGRGV-BFYDXBDKSA-N 1 3 335.289 2.800 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC001254506002 1315710886 /nfs/dbraw/zinc/71/08/86/1315710886.db2.gz NFYPASDNBDHYOY-HUUCEWRRSA-N 1 3 327.266 2.556 20 0 EFADHO COc1ccc(CCN2CCC([NH2+][C@@H]3CCCN(C)CC3)CC2)cc1 ZINC001254509521 1315711655 /nfs/dbraw/zinc/71/16/55/1315711655.db2.gz OSUMEEMOVDNJDK-LJQANCHMSA-N 1 3 345.531 2.776 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 ZINC001254512220 1315712067 /nfs/dbraw/zinc/71/20/67/1315712067.db2.gz KWTJDLKURMDJEN-UXHICEINSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+]([C@H]4CCCN(C)CC4)C[C@H]3C2)cc1 ZINC001254519297 1315714022 /nfs/dbraw/zinc/71/40/22/1315714022.db2.gz RYOABLUVSFKVJT-NJYVYQBISA-N 1 3 327.516 2.843 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519416 1315714293 /nfs/dbraw/zinc/71/42/93/1315714293.db2.gz IDPNULHFCINJKQ-VQIMIIECSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519416 1315714295 /nfs/dbraw/zinc/71/42/95/1315714295.db2.gz IDPNULHFCINJKQ-VQIMIIECSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521520 1315716235 /nfs/dbraw/zinc/71/62/35/1315716235.db2.gz VBXBBHRWTJDJTD-INIZCTEOSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC3(CCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001254521520 1315716237 /nfs/dbraw/zinc/71/62/37/1315716237.db2.gz VBXBBHRWTJDJTD-INIZCTEOSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001254522231 1315716759 /nfs/dbraw/zinc/71/67/59/1315716759.db2.gz MVCUUHZSYQLYHM-MRXNPFEDSA-N 1 3 326.444 2.622 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001254522231 1315716762 /nfs/dbraw/zinc/71/67/62/1315716762.db2.gz MVCUUHZSYQLYHM-MRXNPFEDSA-N 1 3 326.444 2.622 20 0 EFADHO CN(C[C@H]1CCCN1[C@@H]1CCC[N@H+](C)CC1)C(=O)OC(C)(C)C ZINC001254530650 1315719085 /nfs/dbraw/zinc/71/90/85/1315719085.db2.gz GZGCTHMXQBBYHD-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@H]1CCCN1[C@@H]1CCC[N@@H+](C)CC1)C(=O)OC(C)(C)C ZINC001254530650 1315719088 /nfs/dbraw/zinc/71/90/88/1315719088.db2.gz GZGCTHMXQBBYHD-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC001254531795 1315720562 /nfs/dbraw/zinc/72/05/62/1315720562.db2.gz MABZLZOOFVHPGE-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC001254531795 1315720565 /nfs/dbraw/zinc/72/05/65/1315720565.db2.gz MABZLZOOFVHPGE-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(Oc3ncnc4ccccc43)CC2)CC1 ZINC001254532945 1315720971 /nfs/dbraw/zinc/72/09/71/1315720971.db2.gz YHQVLBURIGZJJL-MRXNPFEDSA-N 1 3 340.471 2.957 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(Oc3ncnc4ccccc43)CC2)CC1 ZINC001254532945 1315720972 /nfs/dbraw/zinc/72/09/72/1315720972.db2.gz YHQVLBURIGZJJL-MRXNPFEDSA-N 1 3 340.471 2.957 20 0 EFADHO c1ccc(CN2CCC[C@H](C[NH2+][C@H]3CC4CCN(CC4)C3)C2)cc1 ZINC001254835400 1315747578 /nfs/dbraw/zinc/74/75/78/1315747578.db2.gz GQDJOZMJOTZXMD-RTWAWAEBSA-N 1 3 327.516 2.973 20 0 EFADHO [NH3+]C[C@H](N[C@@H]1CC2CCN(CC2)C1)c1ccc(Br)cc1 ZINC001254840768 1315748253 /nfs/dbraw/zinc/74/82/53/1315748253.db2.gz NQXQBRKSYOBXPJ-CVEARBPZSA-N 1 3 338.293 2.523 20 0 EFADHO CCC[N@H+](CCCN)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965735 1315766651 /nfs/dbraw/zinc/76/66/51/1315766651.db2.gz JAYKSVNIHJCFBE-XHSDSOJGSA-N 1 3 325.497 2.835 20 0 EFADHO CCC[N@@H+](CCCN)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001254965735 1315766653 /nfs/dbraw/zinc/76/66/53/1315766653.db2.gz JAYKSVNIHJCFBE-XHSDSOJGSA-N 1 3 325.497 2.835 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039410995 1315773286 /nfs/dbraw/zinc/77/32/86/1315773286.db2.gz GSXOWWXCMSZMIG-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)N1CCCC1 ZINC001039410995 1315773289 /nfs/dbraw/zinc/77/32/89/1315773289.db2.gz GSXOWWXCMSZMIG-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415305 1315776423 /nfs/dbraw/zinc/77/64/23/1315776423.db2.gz DAINGCNUUXBTSP-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415305 1315776425 /nfs/dbraw/zinc/77/64/25/1315776425.db2.gz DAINGCNUUXBTSP-KSZLIROESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCN(C/C=C/Cl)CC2)[NH+]1CCCC1 ZINC001050616938 1315786948 /nfs/dbraw/zinc/78/69/48/1315786948.db2.gz HLSLLXLRIPFOQC-VMPITWQZSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001050662724 1315793039 /nfs/dbraw/zinc/79/30/39/1315793039.db2.gz MSSHDMAMPSWLCP-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CCC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)CC1 ZINC001050663002 1315793659 /nfs/dbraw/zinc/79/36/59/1315793659.db2.gz PGDLJBMFRNJEIJ-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCCC2CCC2)CC3)C1 ZINC001050663549 1315793730 /nfs/dbraw/zinc/79/37/30/1315793730.db2.gz VCDYRGZNPINVNB-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039447906 1315797328 /nfs/dbraw/zinc/79/73/28/1315797328.db2.gz OYAFAYXDEWMXDA-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001039447906 1315797330 /nfs/dbraw/zinc/79/73/30/1315797330.db2.gz OYAFAYXDEWMXDA-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+]([C@H]4CCSC4)CC3)C2)ccn1 ZINC001255286813 1315800968 /nfs/dbraw/zinc/80/09/68/1315800968.db2.gz PQFXRBBSGMDTSA-SFHVURJKSA-N 1 3 347.528 2.502 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001050681644 1315801075 /nfs/dbraw/zinc/80/10/75/1315801075.db2.gz ODHVTWZHFVLFRJ-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724027098 1315803501 /nfs/dbraw/zinc/80/35/01/1315803501.db2.gz IGWZPFNTIHWBHZ-BRWVUGGUSA-N 1 3 339.524 3.000 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473297 1315816342 /nfs/dbraw/zinc/81/63/42/1315816342.db2.gz GNMSIUJPCIZVIV-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039473297 1315816347 /nfs/dbraw/zinc/81/63/47/1315816347.db2.gz GNMSIUJPCIZVIV-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO O[C@@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397213 1315816488 /nfs/dbraw/zinc/81/64/88/1315816488.db2.gz NAYGCFZZOWUQRU-PMACEKPBSA-N 1 3 325.456 2.759 20 0 EFADHO O[C@@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC001255397213 1315816490 /nfs/dbraw/zinc/81/64/90/1315816490.db2.gz NAYGCFZZOWUQRU-PMACEKPBSA-N 1 3 325.456 2.759 20 0 EFADHO N=c1sc2c(n1[C@H]1CCC[N@H+](Cc3ccccc3)CC1)CCNC2 ZINC001255403294 1315817927 /nfs/dbraw/zinc/81/79/27/1315817927.db2.gz CYBKPOFKPBDZFV-INIZCTEOSA-N 1 3 342.512 2.902 20 0 EFADHO N=c1sc2c(n1[C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CCNC2 ZINC001255403294 1315817930 /nfs/dbraw/zinc/81/79/30/1315817930.db2.gz CYBKPOFKPBDZFV-INIZCTEOSA-N 1 3 342.512 2.902 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001366245389 1337474567 /nfs/dbraw/zinc/47/45/67/1337474567.db2.gz DJUZUGRCIMOESW-UHFFFAOYSA-N 1 3 336.307 2.664 20 0 EFADHO O=C1NC2(CO1)CCN([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255407921 1315819044 /nfs/dbraw/zinc/81/90/44/1315819044.db2.gz GFEYMCRUFYIAHG-SFHVURJKSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC2(CO1)CCN([C@H]1CCC[N@@H+](Cc3ccccc3)CC1)CC2 ZINC001255407921 1315819047 /nfs/dbraw/zinc/81/90/47/1315819047.db2.gz GFEYMCRUFYIAHG-SFHVURJKSA-N 1 3 343.471 2.616 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@@H]1CC[N@H+](C)C1)CC2 ZINC001255430643 1315823416 /nfs/dbraw/zinc/82/34/16/1315823416.db2.gz HEAIVGBWRDGOGR-IAGOWNOFSA-N 1 3 349.544 2.508 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@@H]1CC[N@@H+](C)C1)CC2 ZINC001255430643 1315823419 /nfs/dbraw/zinc/82/34/19/1315823419.db2.gz HEAIVGBWRDGOGR-IAGOWNOFSA-N 1 3 349.544 2.508 20 0 EFADHO CN(CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)C1CCC1 ZINC001039486784 1315834383 /nfs/dbraw/zinc/83/43/83/1315834383.db2.gz QUZCOTPEZVQZNT-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039488950 1315837992 /nfs/dbraw/zinc/83/79/92/1315837992.db2.gz GWAMJOWXLCOIQJ-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001039488950 1315837997 /nfs/dbraw/zinc/83/79/97/1315837997.db2.gz GWAMJOWXLCOIQJ-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO FC1CC[NH+](C2CCN(C3CCC4(CC3)OCCO4)CC2)CC1 ZINC001255627166 1315850265 /nfs/dbraw/zinc/85/02/65/1315850265.db2.gz QJVBFDCNMNYUQE-UHFFFAOYSA-N 1 3 326.456 2.570 20 0 EFADHO CCOC(=O)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001255672018 1315855993 /nfs/dbraw/zinc/85/59/93/1315855993.db2.gz UWSQBMKIWPTUTE-IPQPSQTFSA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@@H](CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001255672018 1315855994 /nfs/dbraw/zinc/85/59/94/1315855994.db2.gz UWSQBMKIWPTUTE-IPQPSQTFSA-N 1 3 330.472 2.938 20 0 EFADHO C[C@@H](Cc1ccccc1F)N[C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001255834305 1315871812 /nfs/dbraw/zinc/87/18/12/1315871812.db2.gz HZVIMSZQQULJKC-BBRMVZONSA-N 1 3 339.455 2.936 20 0 EFADHO C[N@H+](CCCN1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255908923 1315879735 /nfs/dbraw/zinc/87/97/35/1315879735.db2.gz AURDQCGJZPSNJF-INIZCTEOSA-N 1 3 325.497 2.804 20 0 EFADHO C[N@@H+](CCCN1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255908923 1315879738 /nfs/dbraw/zinc/87/97/38/1315879738.db2.gz AURDQCGJZPSNJF-INIZCTEOSA-N 1 3 325.497 2.804 20 0 EFADHO CCC[N@H+](CCCN)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255921615 1315881039 /nfs/dbraw/zinc/88/10/39/1315881039.db2.gz ILTQBWSNDZTZRF-UHFFFAOYSA-N 1 3 349.519 2.729 20 0 EFADHO CCC[N@@H+](CCCN)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001255921615 1315881040 /nfs/dbraw/zinc/88/10/40/1315881040.db2.gz ILTQBWSNDZTZRF-UHFFFAOYSA-N 1 3 349.519 2.729 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)CC[N@@H+]1C ZINC001039596117 1315881846 /nfs/dbraw/zinc/88/18/46/1315881846.db2.gz UNCYGQPFTBNWRA-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCCC2CCC2)CC[N@H+]1C ZINC001039596117 1315881849 /nfs/dbraw/zinc/88/18/49/1315881849.db2.gz UNCYGQPFTBNWRA-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC001255944655 1315883299 /nfs/dbraw/zinc/88/32/99/1315883299.db2.gz XANHJAFJKJFTCL-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC001255944651 1315883480 /nfs/dbraw/zinc/88/34/80/1315883480.db2.gz WUZOGTZHZUJHIF-APWZRJJASA-N 1 3 345.531 2.826 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(CC(=O)C(C)(C)C)CC1 ZINC001255950749 1315883970 /nfs/dbraw/zinc/88/39/70/1315883970.db2.gz KRVRMAFDLDTARS-INIZCTEOSA-N 1 3 325.541 2.776 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCC2)CC1 ZINC001255952561 1315884029 /nfs/dbraw/zinc/88/40/29/1315884029.db2.gz FIPZYCLKJSBQJA-INIZCTEOSA-N 1 3 338.540 2.813 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccncc2)CC1 ZINC001255954128 1315884859 /nfs/dbraw/zinc/88/48/59/1315884859.db2.gz SQLITDVLVUAOQQ-QGZVFWFLSA-N 1 3 346.519 2.644 20 0 EFADHO CN(C)Cc1ccsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC001039617141 1315885720 /nfs/dbraw/zinc/88/57/20/1315885720.db2.gz LBESGXWKGXIOCJ-CALCHBBNSA-N 1 3 347.528 2.899 20 0 EFADHO CN(C)Cc1ccsc1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039617141 1315885724 /nfs/dbraw/zinc/88/57/24/1315885724.db2.gz LBESGXWKGXIOCJ-CALCHBBNSA-N 1 3 347.528 2.899 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962439 1315885898 /nfs/dbraw/zinc/88/58/98/1315885898.db2.gz VNCBDXGMMIFNKB-XLAORIBOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962439 1315885900 /nfs/dbraw/zinc/88/59/00/1315885900.db2.gz VNCBDXGMMIFNKB-XLAORIBOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001255962439 1315885903 /nfs/dbraw/zinc/88/59/03/1315885903.db2.gz VNCBDXGMMIFNKB-XLAORIBOSA-N 1 3 335.536 2.734 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001255961983 1315886102 /nfs/dbraw/zinc/88/61/02/1315886102.db2.gz YSKQCOOPCJYQOO-GOSISDBHSA-N 1 3 330.520 2.710 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001255964016 1315886426 /nfs/dbraw/zinc/88/64/26/1315886426.db2.gz VSNJBZLUHZPHGO-ULQDDVLXSA-N 1 3 336.549 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)C1 ZINC001039621391 1315886727 /nfs/dbraw/zinc/88/67/27/1315886727.db2.gz VAFXTSRAHJUWFH-VWAQSERHSA-N 1 3 347.547 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC(C)C1 ZINC001039621391 1315886730 /nfs/dbraw/zinc/88/67/30/1315886730.db2.gz VAFXTSRAHJUWFH-VWAQSERHSA-N 1 3 347.547 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039621510 1315887255 /nfs/dbraw/zinc/88/72/55/1315887255.db2.gz XKQWOJVYVJBFMS-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039621510 1315887259 /nfs/dbraw/zinc/88/72/59/1315887259.db2.gz XKQWOJVYVJBFMS-OTWHNJEPSA-N 1 3 333.520 2.726 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(c2ncccn2)CC1 ZINC001256061371 1315897996 /nfs/dbraw/zinc/89/79/96/1315897996.db2.gz MRTAKHOEFKIXEX-OALUTQOASA-N 1 3 343.519 2.784 20 0 EFADHO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(c2ncccn2)CC1 ZINC001256061371 1315898000 /nfs/dbraw/zinc/89/80/00/1315898000.db2.gz MRTAKHOEFKIXEX-OALUTQOASA-N 1 3 343.519 2.784 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC(N(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC001256470417 1315945535 /nfs/dbraw/zinc/94/55/35/1315945535.db2.gz VEEMPTALJVOGRQ-HOCLYGCPSA-N 1 3 325.497 2.800 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC001256530457 1315951800 /nfs/dbraw/zinc/95/18/00/1315951800.db2.gz LWCLGFKVDIZSJA-FFZOFVMBSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@H]1C[C@@H](NC[C@@H](O)c2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC001256530457 1315951803 /nfs/dbraw/zinc/95/18/03/1315951803.db2.gz LWCLGFKVDIZSJA-FFZOFVMBSA-N 1 3 325.456 2.758 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(c3ncccn3)CC2)CC1 ZINC001256566765 1315960772 /nfs/dbraw/zinc/96/07/72/1315960772.db2.gz YREBELJMJZRVKX-UHFFFAOYSA-N 1 3 331.508 2.546 20 0 EFADHO [NH3+]CCc1nc2ccccc2n1C1CCN(Cc2ccncc2)CC1 ZINC001256578143 1315962855 /nfs/dbraw/zinc/96/28/55/1315962855.db2.gz FVBYVFXOXDDNRO-UHFFFAOYSA-N 1 3 335.455 2.770 20 0 EFADHO c1cc(CN2CCC(N3CC[NH+](C4CCCCC4)CC3)CC2)ccn1 ZINC001256587198 1315965536 /nfs/dbraw/zinc/96/55/36/1315965536.db2.gz BIZHIGKMWRHAKH-UHFFFAOYSA-N 1 3 342.531 2.996 20 0 EFADHO c1cc(CN2CCC(N3CCC([NH+]4CCCC4)CC3)CC2)ccn1 ZINC001256587585 1315965704 /nfs/dbraw/zinc/96/57/04/1315965704.db2.gz KJLYGZONMQNQDL-UHFFFAOYSA-N 1 3 328.504 2.606 20 0 EFADHO COc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC001256614152 1315969181 /nfs/dbraw/zinc/96/91/81/1315969181.db2.gz BDBKWQFFTPDUQO-IHWFROFDSA-N 1 3 343.515 2.874 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256613465 1315969311 /nfs/dbraw/zinc/96/93/11/1315969311.db2.gz NJPDQPWIRKURDA-BGYRXZFFSA-N 1 3 327.516 2.925 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256613465 1315969313 /nfs/dbraw/zinc/96/93/13/1315969313.db2.gz NJPDQPWIRKURDA-BGYRXZFFSA-N 1 3 327.516 2.925 20 0 EFADHO Cc1ccc2nc(C3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)nn2c1 ZINC001256626960 1315971641 /nfs/dbraw/zinc/97/16/41/1315971641.db2.gz WTYIVDWRYAIWLK-JWTNVVGKSA-N 1 3 339.487 2.842 20 0 EFADHO Cc1ccc2nc(C3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)nn2c1 ZINC001256626960 1315971642 /nfs/dbraw/zinc/97/16/42/1315971642.db2.gz WTYIVDWRYAIWLK-JWTNVVGKSA-N 1 3 339.487 2.842 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256678865 1315980132 /nfs/dbraw/zinc/98/01/32/1315980132.db2.gz SWZPCRLCFNBHTP-SOAGJPPSSA-N 1 3 331.504 2.522 20 0 EFADHO CCOc1cccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678537 1315980139 /nfs/dbraw/zinc/98/01/39/1315980139.db2.gz NRPDJTCDJMHIOK-UHFFFAOYSA-N 1 3 332.488 2.861 20 0 EFADHO C1CN(C2CCCCC2)C[C@@H]1[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256681691 1315980782 /nfs/dbraw/zinc/98/07/82/1315980782.db2.gz ZNKZXODLYJXALZ-QPIRBTGLSA-N 1 3 335.536 2.626 20 0 EFADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)Cc1ccccn1 ZINC001256681344 1315980831 /nfs/dbraw/zinc/98/08/31/1315980831.db2.gz RAJVHZSIJDVPDE-UHFFFAOYSA-N 1 3 331.504 2.883 20 0 EFADHO COc1cccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256680754 1315980864 /nfs/dbraw/zinc/98/08/64/1315980864.db2.gz CBJXIUOYVHWEQL-UHFFFAOYSA-N 1 3 330.472 2.917 20 0 EFADHO Cc1cccc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)n1 ZINC001256681589 1315980936 /nfs/dbraw/zinc/98/09/36/1315980936.db2.gz XZVHQTGKFUKOSS-UHFFFAOYSA-N 1 3 331.504 2.901 20 0 EFADHO Cn1cc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256682560 1315980960 /nfs/dbraw/zinc/98/09/60/1315980960.db2.gz LRGNFYZDNWCEIG-UHFFFAOYSA-N 1 3 341.499 2.954 20 0 EFADHO CCOc1ccccc1OCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686166 1315981285 /nfs/dbraw/zinc/98/12/85/1315981285.db2.gz KEVJHNMRSBRUHP-UHFFFAOYSA-N 1 3 348.487 2.697 20 0 EFADHO c1ccc(N2CCC([NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256683399 1315981713 /nfs/dbraw/zinc/98/17/13/1315981713.db2.gz ZWNDOZKQBBHQDL-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO COc1cc([C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C2CC2)ccn1 ZINC001256687552 1315982321 /nfs/dbraw/zinc/98/23/21/1315982321.db2.gz YNBKRRGEVWWMHQ-AFMYVXGZSA-N 1 3 345.487 2.774 20 0 EFADHO COc1ccc(CC[N@H+](C)C2CCC(N3CCOCC3)CC2)cc1 ZINC001256698076 1315983706 /nfs/dbraw/zinc/98/37/06/1315983706.db2.gz LEOUBUSUIYNMJA-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO COc1ccc(CC[N@@H+](C)C2CCC(N3CCOCC3)CC2)cc1 ZINC001256698076 1315983709 /nfs/dbraw/zinc/98/37/09/1315983709.db2.gz LEOUBUSUIYNMJA-UHFFFAOYSA-N 1 3 332.488 2.813 20 0 EFADHO COc1ccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)c(OC)c1 ZINC001256698590 1315983745 /nfs/dbraw/zinc/98/37/45/1315983745.db2.gz PMGRMSBAXDUGAA-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO COc1ccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)c(OC)c1 ZINC001256698590 1315983747 /nfs/dbraw/zinc/98/37/47/1315983747.db2.gz PMGRMSBAXDUGAA-UHFFFAOYSA-N 1 3 348.487 2.779 20 0 EFADHO C[C@H]1CN(C2CCC(N3CCOCC3)CC2)CC[N@@H+]1C1CCCCC1 ZINC001256699287 1315984311 /nfs/dbraw/zinc/98/43/11/1315984311.db2.gz LUYHPWAZMRKAKQ-HDYDNRTBSA-N 1 3 349.563 2.969 20 0 EFADHO C[C@H]1CN(C2CCC(N3CCOCC3)CC2)CC[N@H+]1C1CCCCC1 ZINC001256699287 1315984313 /nfs/dbraw/zinc/98/43/13/1315984313.db2.gz LUYHPWAZMRKAKQ-HDYDNRTBSA-N 1 3 349.563 2.969 20 0 EFADHO C[C@@H](CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)N1CCCCC1 ZINC000827473976 1315986964 /nfs/dbraw/zinc/98/69/64/1315986964.db2.gz MNYZCKKILTYITC-INIZCTEOSA-N 1 3 342.487 2.594 20 0 EFADHO O=C(CNC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(F)cc1 ZINC001256852447 1315999175 /nfs/dbraw/zinc/99/91/75/1315999175.db2.gz KSRCOMLZTNAXEG-UHFFFAOYSA-N 1 3 327.403 2.591 20 0 EFADHO Brc1ncccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC001256852468 1315999181 /nfs/dbraw/zinc/99/91/81/1315999181.db2.gz LEPPHEWQFSZYFL-UHFFFAOYSA-N 1 3 347.260 2.998 20 0 EFADHO CC(C)COc1cc(CNC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC001256853311 1315999648 /nfs/dbraw/zinc/99/96/48/1315999648.db2.gz WXHXVZKKGMMKJY-UHFFFAOYSA-N 1 3 341.459 2.665 20 0 EFADHO C[C@H](CN)C[N@H+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881733 1316004117 /nfs/dbraw/zinc/00/41/17/1316004117.db2.gz QFBUWCPBKKTANX-GFCCVEGCSA-N 1 3 330.398 2.596 20 0 EFADHO C[C@H](CN)C[N@@H+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256881733 1316004121 /nfs/dbraw/zinc/00/41/21/1316004121.db2.gz QFBUWCPBKKTANX-GFCCVEGCSA-N 1 3 330.398 2.596 20 0 EFADHO C1CCC(N2CCC[C@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)C1 ZINC001256906653 1316007752 /nfs/dbraw/zinc/00/77/52/1316007752.db2.gz TYLVHJVQQYAWEU-BJLQDIEVSA-N 1 3 335.536 2.626 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001257057691 1316027359 /nfs/dbraw/zinc/02/73/59/1316027359.db2.gz FAKSIHIFBNZENQ-WMLDXEAASA-N 1 3 326.456 2.617 20 0 EFADHO O=C(N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001039974698 1316043871 /nfs/dbraw/zinc/04/38/71/1316043871.db2.gz KOSJDXOEMUUTDS-KDURUIRLSA-N 1 3 345.531 2.728 20 0 EFADHO CO[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC001257213700 1316047012 /nfs/dbraw/zinc/04/70/12/1316047012.db2.gz SQNKSWIXTGHLCS-SFTDATJTSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001040014025 1316055191 /nfs/dbraw/zinc/05/51/91/1316055191.db2.gz CRYDFFBRNIBFQT-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001040014025 1316055193 /nfs/dbraw/zinc/05/51/93/1316055193.db2.gz CRYDFFBRNIBFQT-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040114996 1316102167 /nfs/dbraw/zinc/10/21/67/1316102167.db2.gz MOQHNLTVIRUQRL-IEBWSBKVSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040114996 1316102168 /nfs/dbraw/zinc/10/21/68/1316102168.db2.gz MOQHNLTVIRUQRL-IEBWSBKVSA-N 1 3 347.528 2.657 20 0 EFADHO CC(C)CN1CCC([NH2+]CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001258002189 1316108448 /nfs/dbraw/zinc/10/84/48/1316108448.db2.gz AEJODUFLKHNGJS-UHFFFAOYSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(c3ccccn3)CCOCC2)CC1 ZINC001258007635 1316109291 /nfs/dbraw/zinc/10/92/91/1316109291.db2.gz KOBJFHRABPQMQL-UHFFFAOYSA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)C[NH+]1CCC(NCC2(c3ccccn3)CCOCC2)CC1 ZINC001258007635 1316109293 /nfs/dbraw/zinc/10/92/93/1316109293.db2.gz KOBJFHRABPQMQL-UHFFFAOYSA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258095021 1316119215 /nfs/dbraw/zinc/11/92/15/1316119215.db2.gz WYNPNKOXLZZKIC-YRXWBPOGSA-N 1 3 331.508 2.808 20 0 EFADHO CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001258095021 1316119218 /nfs/dbraw/zinc/11/92/18/1316119218.db2.gz WYNPNKOXLZZKIC-YRXWBPOGSA-N 1 3 331.508 2.808 20 0 EFADHO FC1CCN(CC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC001258137604 1316124093 /nfs/dbraw/zinc/12/40/93/1316124093.db2.gz IJKPITNKRHKOHR-UHFFFAOYSA-N 1 3 333.495 2.717 20 0 EFADHO c1ccc(CC[NH+]2CCC(NCC3(c4cnccn4)CC3)CC2)cc1 ZINC001258137730 1316124121 /nfs/dbraw/zinc/12/41/21/1316124121.db2.gz MBJVXMUMALFYHA-UHFFFAOYSA-N 1 3 336.483 2.805 20 0 EFADHO C[C@@H](Cc1ccco1)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001258186872 1316128813 /nfs/dbraw/zinc/12/88/13/1316128813.db2.gz AWVUSJMULVSRPA-ILZDJORESA-N 1 3 332.488 2.891 20 0 EFADHO C[C@@H](Cc1ccco1)N1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001258186872 1316128817 /nfs/dbraw/zinc/12/88/17/1316128817.db2.gz AWVUSJMULVSRPA-ILZDJORESA-N 1 3 332.488 2.891 20 0 EFADHO CN(C)Cc1cc(=O)n2c(n1)C[N@H+](C1CCCCCCC1)CCC2 ZINC001258243644 1316134948 /nfs/dbraw/zinc/13/49/48/1316134948.db2.gz WIOVDBZSIJCVLC-UHFFFAOYSA-N 1 3 332.492 2.624 20 0 EFADHO CN(C)Cc1cc(=O)n2c(n1)C[N@@H+](C1CCCCCCC1)CCC2 ZINC001258243644 1316134949 /nfs/dbraw/zinc/13/49/49/1316134949.db2.gz WIOVDBZSIJCVLC-UHFFFAOYSA-N 1 3 332.492 2.624 20 0 EFADHO COC(=O)CC[C@H](C)[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001258375714 1316145836 /nfs/dbraw/zinc/14/58/36/1316145836.db2.gz VBKQHLVBAIKLMZ-KRWDZBQOSA-N 1 3 330.472 2.926 20 0 EFADHO CCOC(=O)CC[C@H](C)[NH+]1CCC(N)(c2ccccc2OC)CC1 ZINC001258483023 1316154426 /nfs/dbraw/zinc/15/44/26/1316154426.db2.gz IZOXOKKGAFVYCD-HNNXBMFYSA-N 1 3 334.460 2.677 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)CCC1 ZINC001040235699 1316157720 /nfs/dbraw/zinc/15/77/20/1316157720.db2.gz FZEKDKXTQUUWLW-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)CCC1 ZINC001040235699 1316157721 /nfs/dbraw/zinc/15/77/21/1316157721.db2.gz FZEKDKXTQUUWLW-LJQANCHMSA-N 1 3 333.520 2.585 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C3CCC4(CC3)OCC(C)(C)CO4)C[C@H]2C1 ZINC001258527220 1316160163 /nfs/dbraw/zinc/16/01/63/1316160163.db2.gz OONMALRIUXYGSZ-IAGOWNOFSA-N 1 3 336.520 2.972 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)C1CCC1 ZINC001040241161 1316160814 /nfs/dbraw/zinc/16/08/14/1316160814.db2.gz MNMMDUFBVRAAIM-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2)C1CCC1 ZINC001040241161 1316160815 /nfs/dbraw/zinc/16/08/15/1316160815.db2.gz MNMMDUFBVRAAIM-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241372 1316161525 /nfs/dbraw/zinc/16/15/25/1316161525.db2.gz NRVZACBNUTWIGJ-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241372 1316161528 /nfs/dbraw/zinc/16/15/28/1316161528.db2.gz NRVZACBNUTWIGJ-AZUAARDMSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)C1CC1 ZINC001040241852 1316162424 /nfs/dbraw/zinc/16/24/24/1316162424.db2.gz UIOUHBJHAHIFOS-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)C1CC1 ZINC001040241852 1316162427 /nfs/dbraw/zinc/16/24/27/1316162427.db2.gz UIOUHBJHAHIFOS-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO O=C1CC[C@@H]([NH2+]CCCN2CCCC2)CCN1Cc1ccccc1 ZINC001258567932 1316162683 /nfs/dbraw/zinc/16/26/83/1316162683.db2.gz RERVHMUOASOQER-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250151 1316165895 /nfs/dbraw/zinc/16/58/95/1316165895.db2.gz LSWABROGBDWDKN-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001040250151 1316165896 /nfs/dbraw/zinc/16/58/96/1316165896.db2.gz LSWABROGBDWDKN-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN1CCC([NH2+]C2CCN(Cc3ccc(O)cc3)CC2)CC1 ZINC001258769664 1316176136 /nfs/dbraw/zinc/17/61/36/1316176136.db2.gz ACQITRZFFJQEGF-UHFFFAOYSA-N 1 3 331.504 2.821 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2OC)CC1 ZINC001258771451 1316176777 /nfs/dbraw/zinc/17/67/77/1316176777.db2.gz CHEAJWYSTGEGBA-LEWJYISDSA-N 1 3 345.531 2.740 20 0 EFADHO CCC[NH+]1CCC(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001258775388 1316177369 /nfs/dbraw/zinc/17/73/69/1316177369.db2.gz NBKUWZZZOBDNAH-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@H]1CCC[C@@H](C)C1)CCC2 ZINC001258824822 1316181637 /nfs/dbraw/zinc/18/16/37/1316181637.db2.gz TXIOZQMPPGKONW-AEFFLSMTSA-N 1 3 346.519 2.870 20 0 EFADHO CC(C)CC(CC(C)C)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258835182 1316182612 /nfs/dbraw/zinc/18/26/12/1316182612.db2.gz SQFHFWBPHNEXQN-UHFFFAOYSA-N 1 3 348.535 2.971 20 0 EFADHO CC(C)CC(CC(C)C)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258835182 1316182614 /nfs/dbraw/zinc/18/26/14/1316182614.db2.gz SQFHFWBPHNEXQN-UHFFFAOYSA-N 1 3 348.535 2.971 20 0 EFADHO COc1cc(C[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc(OC)c1OC ZINC001258878786 1316187673 /nfs/dbraw/zinc/18/76/73/1316187673.db2.gz ZDNAYWXNHRBNIA-OAHLLOKOSA-N 1 3 348.487 2.671 20 0 EFADHO COc1cc(C[C@@H](C)N2CC3(C2)CC[NH+](C)CC3)cc(OC)c1OC ZINC001258878241 1316187887 /nfs/dbraw/zinc/18/78/87/1316187887.db2.gz NPYHRZUDCHVTHQ-OAHLLOKOSA-N 1 3 348.487 2.671 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC001258906999 1316191036 /nfs/dbraw/zinc/19/10/36/1316191036.db2.gz CLDAMLFLGUYZSU-TZIWHRDSSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394640 1316241047 /nfs/dbraw/zinc/24/10/47/1316241047.db2.gz KHGZPAGRXJPPIF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC[C@H]3C)C2)C1 ZINC001040394640 1316241050 /nfs/dbraw/zinc/24/10/50/1316241050.db2.gz KHGZPAGRXJPPIF-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2)N(C)C ZINC001040401138 1316243844 /nfs/dbraw/zinc/24/38/44/1316243844.db2.gz XQJJHKLQPKHEJX-HKUYNNGSSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2)N(C)C ZINC001040401138 1316243845 /nfs/dbraw/zinc/24/38/45/1316243845.db2.gz XQJJHKLQPKHEJX-HKUYNNGSSA-N 1 3 349.544 2.903 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001040421991 1316254321 /nfs/dbraw/zinc/25/43/21/1316254321.db2.gz ITLDMXCRNPEDJS-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(C1)CCC[N@@H+](CC1=CCCCC1)C2 ZINC001040421991 1316254324 /nfs/dbraw/zinc/25/43/24/1316254324.db2.gz ITLDMXCRNPEDJS-HXUWFJFHSA-N 1 3 342.487 2.767 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040542889 1316315469 /nfs/dbraw/zinc/31/54/69/1316315469.db2.gz FOHXYNKJSSIQMK-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040542889 1316315473 /nfs/dbraw/zinc/31/54/73/1316315473.db2.gz FOHXYNKJSSIQMK-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729313 1316361363 /nfs/dbraw/zinc/36/13/63/1316361363.db2.gz FTGVZLMNFOXFAP-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN(C)C4CCC4)C3)CC2)C1 ZINC001040729163 1316361685 /nfs/dbraw/zinc/36/16/85/1316361685.db2.gz CSYXOJXLOJNJMY-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040730183 1316362094 /nfs/dbraw/zinc/36/20/94/1316362094.db2.gz SHSFRLCDSADIQA-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735657 1316363403 /nfs/dbraw/zinc/36/34/03/1316363403.db2.gz WTRPKKMQBJTULI-SFHVURJKSA-N 1 3 335.536 2.853 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001072297286 1316373874 /nfs/dbraw/zinc/37/38/74/1316373874.db2.gz HZYMEWMJDKINBX-FUHWJXTLSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@@H]2C)cc1 ZINC001072369536 1316378110 /nfs/dbraw/zinc/37/81/10/1316378110.db2.gz RLFQPMYVGKWXFM-WMZOPIPTSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC[C@H](C)F)CC2)N(C)C ZINC001040835061 1316384997 /nfs/dbraw/zinc/38/49/97/1316384997.db2.gz HFERHPUHXITLCA-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001040834575 1316385030 /nfs/dbraw/zinc/38/50/30/1316385030.db2.gz AKKOLUXEVYNIJW-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001040836700 1316385789 /nfs/dbraw/zinc/38/57/89/1316385789.db2.gz VVTCCGWFLUFVTQ-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040849465 1316388706 /nfs/dbraw/zinc/38/87/06/1316388706.db2.gz SIKRYMVOPARVLR-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001072544124 1316398778 /nfs/dbraw/zinc/39/87/78/1316398778.db2.gz BNNXILHMDXDGMD-YJBOKZPZSA-N 1 3 345.462 2.515 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC001072544124 1316398781 /nfs/dbraw/zinc/39/87/81/1316398781.db2.gz BNNXILHMDXDGMD-YJBOKZPZSA-N 1 3 345.462 2.515 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948746 1316409345 /nfs/dbraw/zinc/40/93/45/1316409345.db2.gz YUHLKPHQEFGCMZ-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C/C=C\c1ccccc1)C2)N(C)C ZINC001072990918 1316427258 /nfs/dbraw/zinc/42/72/58/1316427258.db2.gz HWWZHZFUSWOIRJ-POGDKVGISA-N 1 3 341.499 2.574 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C/C=C\c1ccccc1)C2)N(C)C ZINC001072990918 1316427262 /nfs/dbraw/zinc/42/72/62/1316427262.db2.gz HWWZHZFUSWOIRJ-POGDKVGISA-N 1 3 341.499 2.574 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2)N(C)C ZINC001072991501 1316427625 /nfs/dbraw/zinc/42/76/25/1316427625.db2.gz WEJJESYRJSSQNJ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2)N(C)C ZINC001072991501 1316427627 /nfs/dbraw/zinc/42/76/27/1316427627.db2.gz WEJJESYRJSSQNJ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2)N(C)C ZINC001072991174 1316427691 /nfs/dbraw/zinc/42/76/91/1316427691.db2.gz PTOQLTCDZLCYCC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2)N(C)C ZINC001072991174 1316427692 /nfs/dbraw/zinc/42/76/92/1316427692.db2.gz PTOQLTCDZLCYCC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001073970316 1316485201 /nfs/dbraw/zinc/48/52/01/1316485201.db2.gz JTORNPQDAYZNBS-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001073970316 1316485203 /nfs/dbraw/zinc/48/52/03/1316485203.db2.gz JTORNPQDAYZNBS-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287898 1316502829 /nfs/dbraw/zinc/50/28/29/1316502829.db2.gz RUFWGYWLTRHAKQ-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041287898 1316502830 /nfs/dbraw/zinc/50/28/30/1316502830.db2.gz RUFWGYWLTRHAKQ-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N1CCCCC1 ZINC001041288130 1316504019 /nfs/dbraw/zinc/50/40/19/1316504019.db2.gz UVKVNHSIIWRCQO-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N1CCCCC1 ZINC001041288130 1316504023 /nfs/dbraw/zinc/50/40/23/1316504023.db2.gz UVKVNHSIIWRCQO-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CC4CCCCC4)C3)C2)CCC1 ZINC001041354045 1316525666 /nfs/dbraw/zinc/52/56/66/1316525666.db2.gz LKWRTAIXCWPTOL-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCCC4)C3)C2)CCC1 ZINC001041354045 1316525668 /nfs/dbraw/zinc/52/56/68/1316525668.db2.gz LKWRTAIXCWPTOL-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357129 1316526008 /nfs/dbraw/zinc/52/60/08/1316526008.db2.gz DTSUUTLCAZIHNG-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357129 1316526010 /nfs/dbraw/zinc/52/60/10/1316526010.db2.gz DTSUUTLCAZIHNG-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357694 1316526893 /nfs/dbraw/zinc/52/68/93/1316526893.db2.gz IIWIMZMLLAXTMM-IEBWSBKVSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357694 1316526896 /nfs/dbraw/zinc/52/68/96/1316526896.db2.gz IIWIMZMLLAXTMM-IEBWSBKVSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358202 1316527175 /nfs/dbraw/zinc/52/71/75/1316527175.db2.gz LUTTTXGHNVFDEW-TZIWHRDSSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358202 1316527177 /nfs/dbraw/zinc/52/71/77/1316527177.db2.gz LUTTTXGHNVFDEW-TZIWHRDSSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1cccc(F)c1 ZINC001074687017 1316530431 /nfs/dbraw/zinc/53/04/31/1316530431.db2.gz JSJBVIOFCWVEKA-DOXZYTNZSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041378507 1316532779 /nfs/dbraw/zinc/53/27/79/1316532779.db2.gz KCFYEAHCFCBOIJ-FPOVZHCZSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041378507 1316532781 /nfs/dbraw/zinc/53/27/81/1316532781.db2.gz KCFYEAHCFCBOIJ-FPOVZHCZSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)[C@H]1C ZINC001074877816 1316539139 /nfs/dbraw/zinc/53/91/39/1316539139.db2.gz NWKHEYJGSLYHJW-HBFSDRIKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)cc1 ZINC001074877821 1316539150 /nfs/dbraw/zinc/53/91/50/1316539150.db2.gz NZWSASFCSGMRSA-BJLQDIEVSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)cs1 ZINC001074877716 1316539243 /nfs/dbraw/zinc/53/92/43/1316539243.db2.gz ISMCCMPAEDQXOV-KMFMINBZSA-N 1 3 335.517 2.620 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3=CCCCC3)[C@@H]2C)C1 ZINC001074878235 1316539298 /nfs/dbraw/zinc/53/92/98/1316539298.db2.gz HXPSLWMQSCUCJH-LNLFQRSKSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)c1 ZINC001074877797 1316539531 /nfs/dbraw/zinc/53/95/31/1316539531.db2.gz MUEKZPPPTFPSFF-AOIWGVFYSA-N 1 3 329.488 2.558 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041401618 1316540967 /nfs/dbraw/zinc/54/09/67/1316540967.db2.gz CLUYJXROJPEAMM-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041401618 1316540968 /nfs/dbraw/zinc/54/09/68/1316540968.db2.gz CLUYJXROJPEAMM-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041404335 1316541472 /nfs/dbraw/zinc/54/14/72/1316541472.db2.gz SKXNEDNLHRHVMN-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)N(C)C ZINC001041404335 1316541475 /nfs/dbraw/zinc/54/14/75/1316541475.db2.gz SKXNEDNLHRHVMN-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041404505 1316541882 /nfs/dbraw/zinc/54/18/82/1316541882.db2.gz UNNOEKNYPKKUHC-WIYYLYMNSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041404505 1316541885 /nfs/dbraw/zinc/54/18/85/1316541885.db2.gz UNNOEKNYPKKUHC-WIYYLYMNSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567761 1316557797 /nfs/dbraw/zinc/55/77/97/1316557797.db2.gz GOXTYRVGFICTAU-AWEZNQCLSA-N 1 3 337.895 2.585 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041645216 1316632978 /nfs/dbraw/zinc/63/29/78/1316632978.db2.gz KCFYEAHCFCBOIJ-TZIWHRDSSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041645216 1316632980 /nfs/dbraw/zinc/63/29/80/1316632980.db2.gz KCFYEAHCFCBOIJ-TZIWHRDSSA-N 1 3 347.547 2.997 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001041667745 1316642062 /nfs/dbraw/zinc/64/20/62/1316642062.db2.gz HLFNAORDSBHCLM-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001041667745 1316642065 /nfs/dbraw/zinc/64/20/65/1316642065.db2.gz HLFNAORDSBHCLM-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674171 1316644009 /nfs/dbraw/zinc/64/40/09/1316644009.db2.gz ITBGNNPJXHDQAN-LAUBAEHRSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674171 1316644013 /nfs/dbraw/zinc/64/40/13/1316644013.db2.gz ITBGNNPJXHDQAN-LAUBAEHRSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680173 1316646988 /nfs/dbraw/zinc/64/69/88/1316646988.db2.gz PQUCSIQZFYUPSX-MOPGFXCFSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680173 1316646991 /nfs/dbraw/zinc/64/69/91/1316646991.db2.gz PQUCSIQZFYUPSX-MOPGFXCFSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041684560 1316647529 /nfs/dbraw/zinc/64/75/29/1316647529.db2.gz CLUYJXROJPEAMM-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3C)C2)C1)N(C)C ZINC001041684560 1316647531 /nfs/dbraw/zinc/64/75/31/1316647531.db2.gz CLUYJXROJPEAMM-FPOVZHCZSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041723215 1316665498 /nfs/dbraw/zinc/66/54/98/1316665498.db2.gz FLDIWXRPOHPIIH-AZUAARDMSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041723215 1316665500 /nfs/dbraw/zinc/66/55/00/1316665500.db2.gz FLDIWXRPOHPIIH-AZUAARDMSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041724191 1316666782 /nfs/dbraw/zinc/66/67/82/1316666782.db2.gz QFDLPIOKGGJLKD-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041724191 1316666785 /nfs/dbraw/zinc/66/67/85/1316666785.db2.gz QFDLPIOKGGJLKD-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)CC1 ZINC001041757585 1316683614 /nfs/dbraw/zinc/68/36/14/1316683614.db2.gz ZHCZZUAMUWAFBR-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)CC1 ZINC001041757585 1316683618 /nfs/dbraw/zinc/68/36/18/1316683618.db2.gz ZHCZZUAMUWAFBR-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786284 1316697882 /nfs/dbraw/zinc/69/78/82/1316697882.db2.gz UDKMYRHARVWXKS-LPHOPBHVSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786284 1316697883 /nfs/dbraw/zinc/69/78/83/1316697883.db2.gz UDKMYRHARVWXKS-LPHOPBHVSA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844795 1316730766 /nfs/dbraw/zinc/73/07/66/1316730766.db2.gz NPEDXDYGMHNMNN-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844552 1316730869 /nfs/dbraw/zinc/73/08/69/1316730869.db2.gz KSYGTNUJTHVRJL-OAQYLSRUSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844552 1316730872 /nfs/dbraw/zinc/73/08/72/1316730872.db2.gz KSYGTNUJTHVRJL-OAQYLSRUSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041845725 1316731810 /nfs/dbraw/zinc/73/18/10/1316731810.db2.gz OXOORBOCVUHWDF-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041845725 1316731813 /nfs/dbraw/zinc/73/18/13/1316731813.db2.gz OXOORBOCVUHWDF-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041845673 1316732007 /nfs/dbraw/zinc/73/20/07/1316732007.db2.gz MUBSXDDZNCBFCL-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041845673 1316732009 /nfs/dbraw/zinc/73/20/09/1316732009.db2.gz MUBSXDDZNCBFCL-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@@H+](C/C=C\Cl)[C@H]2C1 ZINC001042132433 1316899419 /nfs/dbraw/zinc/89/94/19/1316899419.db2.gz CRAIHRIWYWRAGO-XEUQGSLUSA-N 1 3 344.846 2.623 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@@H]2CC[N@H+](C/C=C\Cl)[C@H]2C1 ZINC001042132433 1316899422 /nfs/dbraw/zinc/89/94/22/1316899422.db2.gz CRAIHRIWYWRAGO-XEUQGSLUSA-N 1 3 344.846 2.623 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186126 1316940043 /nfs/dbraw/zinc/94/00/43/1316940043.db2.gz DFDUVAQYPRZRDM-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186126 1316940044 /nfs/dbraw/zinc/94/00/44/1316940044.db2.gz DFDUVAQYPRZRDM-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186625 1316940133 /nfs/dbraw/zinc/94/01/33/1316940133.db2.gz ISEQUFPIXFAKEI-ZWKOTPCHSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186625 1316940135 /nfs/dbraw/zinc/94/01/35/1316940135.db2.gz ISEQUFPIXFAKEI-ZWKOTPCHSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)c1c[nH]cn1 ZINC001042313898 1317137461 /nfs/dbraw/zinc/13/74/61/1317137461.db2.gz KWJKXTXOIMGXQR-SJORKVTESA-N 1 3 344.503 2.800 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)c1c[nH]cn1 ZINC001042313898 1317137471 /nfs/dbraw/zinc/13/74/71/1317137471.db2.gz KWJKXTXOIMGXQR-SJORKVTESA-N 1 3 344.503 2.800 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042364988 1317215961 /nfs/dbraw/zinc/21/59/61/1317215961.db2.gz HTCBAKZOFDLZAX-HKUYNNGSSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042364988 1317215967 /nfs/dbraw/zinc/21/59/67/1317215967.db2.gz HTCBAKZOFDLZAX-HKUYNNGSSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@H+](CC4CC4)[C@@H]3C2)c1 ZINC001042365385 1317219021 /nfs/dbraw/zinc/21/90/21/1317219021.db2.gz NLFNOWFGIDSXKB-AZUAARDMSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3CC[N@@H+](CC4CC4)[C@@H]3C2)c1 ZINC001042365385 1317219029 /nfs/dbraw/zinc/21/90/29/1317219029.db2.gz NLFNOWFGIDSXKB-AZUAARDMSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@H+](CCCF)[C@H]3C2)c1 ZINC001042366552 1317219585 /nfs/dbraw/zinc/21/95/85/1317219585.db2.gz WLNRQPKKOMGJQQ-MJGOQNOKSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]3CC[N@@H+](CCCF)[C@H]3C2)c1 ZINC001042366552 1317219590 /nfs/dbraw/zinc/21/95/90/1317219590.db2.gz WLNRQPKKOMGJQQ-MJGOQNOKSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](CCCF)[C@@H]2C1 ZINC001042367686 1317223715 /nfs/dbraw/zinc/22/37/15/1317223715.db2.gz KFVLEROKFRLAPQ-QFBILLFUSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](CCCF)[C@@H]2C1 ZINC001042367686 1317223720 /nfs/dbraw/zinc/22/37/20/1317223720.db2.gz KFVLEROKFRLAPQ-QFBILLFUSA-N 1 3 347.478 2.644 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001318896019 1328734811 /nfs/dbraw/zinc/73/48/11/1328734811.db2.gz QKIJYWGTRUWDLN-QGZVFWFLSA-N 1 3 337.533 2.807 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CCc1ccccc1)N(C)C ZINC001319787632 1328989227 /nfs/dbraw/zinc/98/92/27/1328989227.db2.gz HDPZMHUGTWOJAF-UXHICEINSA-N 1 3 345.531 2.930 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1C ZINC001491580784 1323722561 /nfs/dbraw/zinc/72/25/61/1323722561.db2.gz WNBDWERJTCASOG-OAHLLOKOSA-N 1 3 349.519 2.576 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)Cc2cccc(C(F)F)c2)C1 ZINC001492421057 1324499548 /nfs/dbraw/zinc/49/95/48/1324499548.db2.gz HDRGRXMFPGVYPN-AWEZNQCLSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2cccc(C(F)F)c2)C1 ZINC001492421057 1324499549 /nfs/dbraw/zinc/49/95/49/1324499549.db2.gz HDRGRXMFPGVYPN-AWEZNQCLSA-N 1 3 339.430 2.514 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](CC3CC3)CC2)cc1 ZINC001492493970 1329487724 /nfs/dbraw/zinc/48/77/24/1329487724.db2.gz JNNNZJAGWMGFSD-UHFFFAOYSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001326306598 1329745820 /nfs/dbraw/zinc/74/58/20/1329745820.db2.gz XREQDQFOSVLWEC-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001381587809 1348382984 /nfs/dbraw/zinc/38/29/84/1348382984.db2.gz KRYMWTRROBYRPT-INIZCTEOSA-N 1 3 349.494 2.803 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@@H]1C ZINC001382301277 1348855467 /nfs/dbraw/zinc/85/54/67/1348855467.db2.gz FNPIDYBBGQEKQZ-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1 ZINC001326664475 1330341721 /nfs/dbraw/zinc/34/17/21/1330341721.db2.gz PVKXEGIGFDFWQH-UHFFFAOYSA-N 1 3 344.503 2.547 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2)CC1 ZINC001326751268 1330359287 /nfs/dbraw/zinc/35/92/87/1330359287.db2.gz UENBBTBNTSPFDZ-UYAOXDASSA-N 1 3 344.503 2.675 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001332966612 1331055599 /nfs/dbraw/zinc/05/55/99/1331055599.db2.gz XUKBRBNRQYIZJQ-LJQANCHMSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001332966612 1331055606 /nfs/dbraw/zinc/05/56/06/1331055606.db2.gz XUKBRBNRQYIZJQ-LJQANCHMSA-N 1 3 344.503 2.640 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001337270212 1331555841 /nfs/dbraw/zinc/55/58/41/1331555841.db2.gz YZSUYOJQZOUYCN-BEFAXECRSA-N 1 3 326.488 2.574 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001340283575 1332166375 /nfs/dbraw/zinc/16/63/75/1332166375.db2.gz NEWLIFVOZGPVPM-BEFAXECRSA-N 1 3 346.519 2.919 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001341661096 1332274347 /nfs/dbraw/zinc/27/43/47/1332274347.db2.gz CAINABJODRAVJG-MRXNPFEDSA-N 1 3 345.487 2.553 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)OCCNC2 ZINC001341661096 1332274349 /nfs/dbraw/zinc/27/43/49/1332274349.db2.gz CAINABJODRAVJG-MRXNPFEDSA-N 1 3 345.487 2.553 20 0 EFADHO [NH3+][C@@H](CC(=O)Nc1ccc2c(c1)CNC2)Cc1cc(F)c(F)cc1F ZINC001341683955 1332276020 /nfs/dbraw/zinc/27/60/20/1332276020.db2.gz ACRSWXGRSHBHTG-CYBMUJFWSA-N 1 3 349.356 2.606 20 0 EFADHO C[C@@H]1C(=O)N(CN2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC001345108461 1332509825 /nfs/dbraw/zinc/50/98/25/1332509825.db2.gz LDNJPVIGQRTRDG-MVBLQPKNSA-N 1 3 341.499 2.826 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001346190625 1332609791 /nfs/dbraw/zinc/60/97/91/1332609791.db2.gz ICRXMKHWWCBIRB-CYBMUJFWSA-N 1 3 325.403 2.613 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001346190625 1332609796 /nfs/dbraw/zinc/60/97/96/1332609796.db2.gz ICRXMKHWWCBIRB-CYBMUJFWSA-N 1 3 325.403 2.613 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911226 1333716660 /nfs/dbraw/zinc/71/66/60/1333716660.db2.gz NBSIZDDYFONECQ-ROUUACIJSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911226 1333716666 /nfs/dbraw/zinc/71/66/66/1333716666.db2.gz NBSIZDDYFONECQ-ROUUACIJSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001001912044 1333718851 /nfs/dbraw/zinc/71/88/51/1333718851.db2.gz SDABAHCOMQQVMF-FUHWJXTLSA-N 1 3 341.515 2.826 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H](C)C(C)(C)C)CC2)CC1 ZINC000847498403 1333805862 /nfs/dbraw/zinc/80/58/62/1333805862.db2.gz WGPRSWCLANIDQK-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC001002036508 1333968062 /nfs/dbraw/zinc/96/80/62/1333968062.db2.gz GDVIXHVHJALGGY-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](C(=O)NCC1CC([NH2+]Cc2cccc(C(C)C)n2)C1)N(C)C ZINC001100442403 1334119160 /nfs/dbraw/zinc/11/91/60/1334119160.db2.gz FXMJOJXJOWYGIV-GXOAENINSA-N 1 3 346.519 2.530 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001200645006 1334262620 /nfs/dbraw/zinc/26/26/20/1334262620.db2.gz WTUHVWGNSFNFOE-IMKYVTMTSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC(NC/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001200645006 1334262623 /nfs/dbraw/zinc/26/26/23/1334262623.db2.gz WTUHVWGNSFNFOE-IMKYVTMTSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001100673891 1334545730 /nfs/dbraw/zinc/54/57/30/1334545730.db2.gz DHMBYUMRSUGUSR-UKHCIPGUSA-N 1 3 341.499 2.669 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1 ZINC001100676034 1334549742 /nfs/dbraw/zinc/54/97/42/1334549742.db2.gz HRCZTLKBSLTXPC-IVMQYODDSA-N 1 3 333.520 2.846 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676126 1334549773 /nfs/dbraw/zinc/54/97/73/1334549773.db2.gz IBSFTFWFJAQSSM-LYGPFTKASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001100676178 1334550141 /nfs/dbraw/zinc/55/01/41/1334550141.db2.gz JCWDRBLVDZSMNL-VIQWUECVSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001100678683 1334556595 /nfs/dbraw/zinc/55/65/95/1334556595.db2.gz TUNDPEQAHBQFRE-APMMTJHUSA-N 1 3 343.515 2.630 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001100681935 1334565280 /nfs/dbraw/zinc/56/52/80/1334565280.db2.gz ZBEFHJAAZTYXFM-UHFFFAOYSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001100683535 1334568748 /nfs/dbraw/zinc/56/87/48/1334568748.db2.gz GPAFCLLSMCMLCY-JCYILVPMSA-N 1 3 337.533 2.505 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001100683623 1334569368 /nfs/dbraw/zinc/56/93/68/1334569368.db2.gz KOOIYQMXCRIWGI-YIZWMMSDSA-N 1 3 343.924 2.726 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001100684869 1334571879 /nfs/dbraw/zinc/57/18/79/1334571879.db2.gz ORJFRGOCLWVSRD-ABHNRTSZSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1)N1CCCCCC1 ZINC001100732209 1334691689 /nfs/dbraw/zinc/69/16/89/1334691689.db2.gz YABOPNQKILFQGW-WLYUNCDWSA-N 1 3 349.441 2.688 20 0 EFADHO O[C@H](CNC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000848534221 1334780814 /nfs/dbraw/zinc/78/08/14/1334780814.db2.gz YUHIBHVNIQOMGT-DLBZAZTESA-N 1 3 346.496 2.778 20 0 EFADHO CC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000849019960 1335042452 /nfs/dbraw/zinc/04/24/52/1335042452.db2.gz LOROPSKZFMTBIW-UHFFFAOYSA-N 1 3 344.503 2.582 20 0 EFADHO Cc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000849062385 1335064813 /nfs/dbraw/zinc/06/48/13/1335064813.db2.gz QDLPHJFAGXYWSO-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO [NH2+]=C(NC[C@@H]1CCCS1)NC1CCN(Cc2ccccc2)CC1 ZINC000849087307 1335073281 /nfs/dbraw/zinc/07/32/81/1335073281.db2.gz WJWRPHRVPSHTOQ-KRWDZBQOSA-N 1 3 332.517 2.661 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc2ccccc2s1 ZINC000849088069 1335073332 /nfs/dbraw/zinc/07/33/32/1335073332.db2.gz SODVRAQMZQHRKL-HUUCEWRRSA-N 1 3 346.500 2.533 20 0 EFADHO Cc1ccnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849113630 1335554718 /nfs/dbraw/zinc/55/47/18/1335554718.db2.gz XQEMCVGNMVHNIN-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO [NH2+]=C(NCCC[C@@H]1CCOC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849116138 1335555305 /nfs/dbraw/zinc/55/53/05/1335555305.db2.gz GLDKSFNYYHGZGC-GOSISDBHSA-N 1 3 344.503 2.582 20 0 EFADHO CCC(C)(C)OCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849116417 1335555438 /nfs/dbraw/zinc/55/54/38/1335555438.db2.gz OYJCLAODTMVVRB-UHFFFAOYSA-N 1 3 346.519 2.970 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001361706878 1336285161 /nfs/dbraw/zinc/28/51/61/1336285161.db2.gz MNQBSBMZHRMABC-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001361706878 1336285165 /nfs/dbraw/zinc/28/51/65/1336285165.db2.gz MNQBSBMZHRMABC-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001361706867 1336285544 /nfs/dbraw/zinc/28/55/44/1336285544.db2.gz MNQBSBMZHRMABC-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1 ZINC001361706867 1336285547 /nfs/dbraw/zinc/28/55/47/1336285547.db2.gz MNQBSBMZHRMABC-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC001361825436 1336361060 /nfs/dbraw/zinc/36/10/60/1336361060.db2.gz DOIFGKYUMOXWCS-HNNXBMFYSA-N 1 3 340.471 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001361825436 1336361063 /nfs/dbraw/zinc/36/10/63/1336361063.db2.gz DOIFGKYUMOXWCS-HNNXBMFYSA-N 1 3 340.471 2.951 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001361852602 1336375709 /nfs/dbraw/zinc/37/57/09/1336375709.db2.gz CPVWIZJPDCBVHC-KSZLIROESA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001361852602 1336375713 /nfs/dbraw/zinc/37/57/13/1336375713.db2.gz CPVWIZJPDCBVHC-KSZLIROESA-N 1 3 337.552 2.980 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001361999501 1336456656 /nfs/dbraw/zinc/45/66/56/1336456656.db2.gz AMFSAGVERUNVEM-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001361999501 1336456658 /nfs/dbraw/zinc/45/66/58/1336456658.db2.gz AMFSAGVERUNVEM-HXUWFJFHSA-N 1 3 345.531 2.741 20 0 EFADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001362414470 1336600157 /nfs/dbraw/zinc/60/01/57/1336600157.db2.gz IVIFAJFHEUONHE-QGZVFWFLSA-N 1 3 333.520 2.991 20 0 EFADHO C[C@H](CCNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001362414470 1336600159 /nfs/dbraw/zinc/60/01/59/1336600159.db2.gz IVIFAJFHEUONHE-QGZVFWFLSA-N 1 3 333.520 2.991 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001362461491 1336620389 /nfs/dbraw/zinc/62/03/89/1336620389.db2.gz HPMHFWKSWCWHLF-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H]3CCN(C)[C@H]3C2)cc1 ZINC001362461491 1336620393 /nfs/dbraw/zinc/62/03/93/1336620393.db2.gz HPMHFWKSWCWHLF-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362494067 1336632168 /nfs/dbraw/zinc/63/21/68/1336632168.db2.gz AMKSZIRMYSDEQB-DFQSSKMNSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001362494067 1336632172 /nfs/dbraw/zinc/63/21/72/1336632172.db2.gz AMKSZIRMYSDEQB-DFQSSKMNSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498987 1336634562 /nfs/dbraw/zinc/63/45/62/1336634562.db2.gz LRDXBWGRPZTHRL-MISYRCLQSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498987 1336634566 /nfs/dbraw/zinc/63/45/66/1336634566.db2.gz LRDXBWGRPZTHRL-MISYRCLQSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001363182591 1336821296 /nfs/dbraw/zinc/82/12/96/1336821296.db2.gz DVHVYMDACNGCDA-DFQSSKMNSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC001363182591 1336821299 /nfs/dbraw/zinc/82/12/99/1336821299.db2.gz DVHVYMDACNGCDA-DFQSSKMNSA-N 1 3 343.515 2.886 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001363313696 1336870092 /nfs/dbraw/zinc/87/00/92/1336870092.db2.gz CLFVHBMYQURCDG-INIZCTEOSA-N 1 3 333.476 2.962 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001363313696 1336870095 /nfs/dbraw/zinc/87/00/95/1336870095.db2.gz CLFVHBMYQURCDG-INIZCTEOSA-N 1 3 333.476 2.962 20 0 EFADHO CCOC(=O)CC(C)(C)CC[N@H+]1CCN(c2ccncc2)C[C@@H]1C ZINC001363313696 1336870098 /nfs/dbraw/zinc/87/00/98/1336870098.db2.gz CLFVHBMYQURCDG-INIZCTEOSA-N 1 3 333.476 2.962 20 0 EFADHO Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H](C)CN2CCCC2)CC1 ZINC001363350164 1336887420 /nfs/dbraw/zinc/88/74/20/1336887420.db2.gz AEEDUZWTTFYUGA-KRWDZBQOSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502230 1336906023 /nfs/dbraw/zinc/90/60/23/1336906023.db2.gz FOSBBZHFUZCZBN-PKOBYXMFSA-N 1 3 345.531 2.849 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CN(C)CC(C)(C)C ZINC001363502230 1336906025 /nfs/dbraw/zinc/90/60/25/1336906025.db2.gz FOSBBZHFUZCZBN-PKOBYXMFSA-N 1 3 345.531 2.849 20 0 EFADHO Cc1ccc(C)c([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC001363789054 1337048481 /nfs/dbraw/zinc/04/84/81/1337048481.db2.gz JFDKWESLFQFUAT-KRWDZBQOSA-N 1 3 331.504 2.943 20 0 EFADHO CCN(CCCN1CCN(c2cc[nH+]cc2)C[C@H]1C)CC(F)(F)F ZINC001363838197 1337074408 /nfs/dbraw/zinc/07/44/08/1337074408.db2.gz SARJMKMKBFPNNQ-OAHLLOKOSA-N 1 3 344.425 2.866 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cc2ccccc2nc1OC ZINC001363872083 1337093961 /nfs/dbraw/zinc/09/39/61/1337093961.db2.gz IETIKBFMBNZSCS-QGZVFWFLSA-N 1 3 331.460 2.690 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC001363873933 1337094649 /nfs/dbraw/zinc/09/46/49/1337094649.db2.gz SUAMPXGPZBRPTO-OAHLLOKOSA-N 1 3 339.911 2.712 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219150 1337182183 /nfs/dbraw/zinc/18/21/83/1337182183.db2.gz BHMHGKUASIGDLC-FXAWDEMLSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001364219150 1337182187 /nfs/dbraw/zinc/18/21/87/1337182187.db2.gz BHMHGKUASIGDLC-FXAWDEMLSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCS1 ZINC001365272940 1337218174 /nfs/dbraw/zinc/21/81/74/1337218174.db2.gz YWDSUADXIBCBDE-OALUTQOASA-N 1 3 334.529 2.697 20 0 EFADHO CC(C)[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCS1 ZINC001365272940 1337218179 /nfs/dbraw/zinc/21/81/79/1337218179.db2.gz YWDSUADXIBCBDE-OALUTQOASA-N 1 3 334.529 2.697 20 0 EFADHO CC(C)[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCS1 ZINC001365272942 1337218458 /nfs/dbraw/zinc/21/84/58/1337218458.db2.gz YWDSUADXIBCBDE-RTBURBONSA-N 1 3 334.529 2.697 20 0 EFADHO CC(C)[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCS1 ZINC001365272942 1337218459 /nfs/dbraw/zinc/21/84/59/1337218459.db2.gz YWDSUADXIBCBDE-RTBURBONSA-N 1 3 334.529 2.697 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001365542719 1337230503 /nfs/dbraw/zinc/23/05/03/1337230503.db2.gz YVZYDFIUWPGASL-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC001365542719 1337230506 /nfs/dbraw/zinc/23/05/06/1337230506.db2.gz YVZYDFIUWPGASL-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC001365542836 1337230857 /nfs/dbraw/zinc/23/08/57/1337230857.db2.gz CLHQBADKNLGDFW-IAGOWNOFSA-N 1 3 348.491 2.542 20 0 EFADHO CC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC001365542836 1337230860 /nfs/dbraw/zinc/23/08/60/1337230860.db2.gz CLHQBADKNLGDFW-IAGOWNOFSA-N 1 3 348.491 2.542 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001365824182 1337253759 /nfs/dbraw/zinc/25/37/59/1337253759.db2.gz CIGCENRGURMTOE-LXZKKBNFSA-N 1 3 337.895 2.665 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001365936007 1337269024 /nfs/dbraw/zinc/26/90/24/1337269024.db2.gz DZEZRZBBPBPQAS-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001366001519 1337314592 /nfs/dbraw/zinc/31/45/92/1337314592.db2.gz BVXSMHXGPRQMMZ-HXUWFJFHSA-N 1 3 343.515 2.870 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1csc(C)c1)CC2)N(C)C ZINC001366014428 1337323818 /nfs/dbraw/zinc/32/38/18/1337323818.db2.gz HPGHPPVENUVSOH-DLBZAZTESA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2)N(C)C ZINC001366016044 1337325588 /nfs/dbraw/zinc/32/55/88/1337325588.db2.gz JXTUTBDOHHBFIL-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001366029664 1337334607 /nfs/dbraw/zinc/33/46/07/1337334607.db2.gz BBEGSHCEPJNSDX-OALUTQOASA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)s1 ZINC001366033604 1337337001 /nfs/dbraw/zinc/33/70/01/1337337001.db2.gz HHYUQICNBVPCAI-QGZVFWFLSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001366036724 1337338840 /nfs/dbraw/zinc/33/88/40/1337338840.db2.gz WVMSSSPFWDWUKC-UXHICEINSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1)N(C)C ZINC001366062294 1337355751 /nfs/dbraw/zinc/35/57/51/1337355751.db2.gz MMKNLSWTZNPIEE-MSOLQXFVSA-N 1 3 343.471 2.757 20 0 EFADHO CC(C)C[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001366079088 1337370636 /nfs/dbraw/zinc/37/06/36/1337370636.db2.gz NMTNPESSSIDNSW-GBESFXJTSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001366124222 1337389080 /nfs/dbraw/zinc/38/90/80/1337389080.db2.gz DGNLPOMQWQJRMK-DMSXTEQDSA-N 1 3 343.515 2.813 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001366124225 1337389418 /nfs/dbraw/zinc/38/94/18/1337389418.db2.gz DGNLPOMQWQJRMK-DSYPUSFNSA-N 1 3 343.515 2.813 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)N(C)C ZINC001366186889 1337427083 /nfs/dbraw/zinc/42/70/83/1337427083.db2.gz JJBXOWRQFDTMRO-LPHOPBHVSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)N(C)C ZINC001366186889 1337427084 /nfs/dbraw/zinc/42/70/84/1337427084.db2.gz JJBXOWRQFDTMRO-LPHOPBHVSA-N 1 3 349.494 2.537 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccnc1)CC(C)(C)C ZINC001366224672 1337457136 /nfs/dbraw/zinc/45/71/36/1337457136.db2.gz HVFTYDLDNFMSLH-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001366227336 1337460121 /nfs/dbraw/zinc/46/01/21/1337460121.db2.gz DHCQGVRVLBWPRX-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001366227336 1337460123 /nfs/dbraw/zinc/46/01/23/1337460123.db2.gz DHCQGVRVLBWPRX-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccnc1CN[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001366299775 1337499555 /nfs/dbraw/zinc/49/95/55/1337499555.db2.gz BJYAOBKUGJOECZ-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccnc1CN[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001366299775 1337499556 /nfs/dbraw/zinc/49/95/56/1337499556.db2.gz BJYAOBKUGJOECZ-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001366357232 1337532712 /nfs/dbraw/zinc/53/27/12/1337532712.db2.gz XAGXESLUHYFPOU-QAPCUYQASA-N 1 3 333.520 2.919 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366453644 1337600265 /nfs/dbraw/zinc/60/02/65/1337600265.db2.gz YNZUWYDUZJTJCN-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001366494881 1337635806 /nfs/dbraw/zinc/63/58/06/1337635806.db2.gz BVQLVQOGRMRLKB-PXAZEXFGSA-N 1 3 344.434 2.572 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cc2nc[nH]c2C)c(C)s1 ZINC001366500250 1337641914 /nfs/dbraw/zinc/64/19/14/1337641914.db2.gz WXHWCEOLHNNGQS-NSHDSACASA-N 1 3 334.489 2.624 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001366511383 1337652034 /nfs/dbraw/zinc/65/20/34/1337652034.db2.gz PWAKENZHJLMWQR-PKOBYXMFSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001366528843 1337666094 /nfs/dbraw/zinc/66/60/94/1337666094.db2.gz JMTGTZNPTXYQAI-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2c1cccc2F ZINC001366528843 1337666099 /nfs/dbraw/zinc/66/60/99/1337666099.db2.gz JMTGTZNPTXYQAI-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001366543368 1337679961 /nfs/dbraw/zinc/67/99/61/1337679961.db2.gz CNRZYOGHURHYOQ-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001366543368 1337679965 /nfs/dbraw/zinc/67/99/65/1337679965.db2.gz CNRZYOGHURHYOQ-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001366544959 1337680316 /nfs/dbraw/zinc/68/03/16/1337680316.db2.gz IHIUEPSPNLRTLC-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c(C)c1 ZINC001366544959 1337680319 /nfs/dbraw/zinc/68/03/19/1337680319.db2.gz IHIUEPSPNLRTLC-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)c(C)c2)C1 ZINC001366554733 1337689759 /nfs/dbraw/zinc/68/97/59/1337689759.db2.gz HKIXPNUBUNAFRS-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)c(C)c2)C1 ZINC001366554733 1337689761 /nfs/dbraw/zinc/68/97/61/1337689761.db2.gz HKIXPNUBUNAFRS-FQEVSTJZSA-N 1 3 345.531 2.973 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC001366565049 1337699695 /nfs/dbraw/zinc/69/96/95/1337699695.db2.gz UTAVVWAOQMIIQC-UHFFFAOYSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)CC1CCC(F)(F)CC1)N(C)C ZINC001366627525 1337768916 /nfs/dbraw/zinc/76/89/16/1337768916.db2.gz IVIUQOJOSUGRON-HNNXBMFYSA-N 1 3 333.467 2.590 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)CC1CCC(F)(F)CC1)N(C)C ZINC001366627525 1337768919 /nfs/dbraw/zinc/76/89/19/1337768919.db2.gz IVIUQOJOSUGRON-HNNXBMFYSA-N 1 3 333.467 2.590 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1ccc(Cl)cc1 ZINC001366639865 1337785391 /nfs/dbraw/zinc/78/53/91/1337785391.db2.gz IDSPDDSJBOSRAL-QGZVFWFLSA-N 1 3 339.911 2.864 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700023 1337888439 /nfs/dbraw/zinc/88/84/39/1337888439.db2.gz HAMZVCFWFQDOSU-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700023 1337888443 /nfs/dbraw/zinc/88/84/43/1337888443.db2.gz HAMZVCFWFQDOSU-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366702949 1337893111 /nfs/dbraw/zinc/89/31/11/1337893111.db2.gz FLBXLBKQGQJTGB-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001366702949 1337893117 /nfs/dbraw/zinc/89/31/17/1337893117.db2.gz FLBXLBKQGQJTGB-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001366705282 1337898750 /nfs/dbraw/zinc/89/87/50/1337898750.db2.gz UKNYMKDBULVBHT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001366705282 1337898755 /nfs/dbraw/zinc/89/87/55/1337898755.db2.gz UKNYMKDBULVBHT-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cc(F)ccc1C ZINC001366715717 1337911386 /nfs/dbraw/zinc/91/13/86/1337911386.db2.gz GBHRQJWHOLOWCQ-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cc(F)ccc1C ZINC001366715717 1337911392 /nfs/dbraw/zinc/91/13/92/1337911392.db2.gz GBHRQJWHOLOWCQ-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001366773456 1337993437 /nfs/dbraw/zinc/99/34/37/1337993437.db2.gz JDIHBFJXKBNQFN-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001366779413 1337997620 /nfs/dbraw/zinc/99/76/20/1337997620.db2.gz XBZKSEOZIFKDKM-HNAYVOBHSA-N 1 3 347.478 2.593 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366828317 1338080604 /nfs/dbraw/zinc/08/06/04/1338080604.db2.gz GAVWFRQJRSRFDN-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](CCNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001366828317 1338080607 /nfs/dbraw/zinc/08/06/07/1338080607.db2.gz GAVWFRQJRSRFDN-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001366829228 1338081436 /nfs/dbraw/zinc/08/14/36/1338081436.db2.gz JVOHNCLDJLYHPL-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001366829228 1338081442 /nfs/dbraw/zinc/08/14/42/1338081442.db2.gz JVOHNCLDJLYHPL-APWZRJJASA-N 1 3 349.494 2.740 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](C/C=C/Cl)C1)CC(C)(C)C ZINC001366847746 1338111948 /nfs/dbraw/zinc/11/19/48/1338111948.db2.gz SGZFJLKVTHYWHG-SBJJXXPASA-N 1 3 329.916 2.545 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1)CC(C)(C)C ZINC001366847746 1338111951 /nfs/dbraw/zinc/11/19/51/1338111951.db2.gz SGZFJLKVTHYWHG-SBJJXXPASA-N 1 3 329.916 2.545 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC001366847517 1338112072 /nfs/dbraw/zinc/11/20/72/1338112072.db2.gz AKRWJBKHCONMPC-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC001366847517 1338112075 /nfs/dbraw/zinc/11/20/75/1338112075.db2.gz AKRWJBKHCONMPC-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001366847603 1338112156 /nfs/dbraw/zinc/11/21/56/1338112156.db2.gz ARTNNFWYJWKQTB-ICSRJNTNSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001366847603 1338112163 /nfs/dbraw/zinc/11/21/63/1338112163.db2.gz ARTNNFWYJWKQTB-ICSRJNTNSA-N 1 3 345.531 2.917 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001366865508 1338134284 /nfs/dbraw/zinc/13/42/84/1338134284.db2.gz LXCNOXZBWPIQGC-ZHJYEMEWSA-N 1 3 341.499 2.574 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001366865508 1338134289 /nfs/dbraw/zinc/13/42/89/1338134289.db2.gz LXCNOXZBWPIQGC-ZHJYEMEWSA-N 1 3 341.499 2.574 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001366865506 1338134623 /nfs/dbraw/zinc/13/46/23/1338134623.db2.gz LXCNOXZBWPIQGC-HZQWVYJSSA-N 1 3 341.499 2.574 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001366865506 1338134628 /nfs/dbraw/zinc/13/46/28/1338134628.db2.gz LXCNOXZBWPIQGC-HZQWVYJSSA-N 1 3 341.499 2.574 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366878224 1338153807 /nfs/dbraw/zinc/15/38/07/1338153807.db2.gz JXXLRKQOIWJIQZ-MSOLQXFVSA-N 1 3 325.541 2.789 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366878224 1338153813 /nfs/dbraw/zinc/15/38/13/1338153813.db2.gz JXXLRKQOIWJIQZ-MSOLQXFVSA-N 1 3 325.541 2.789 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001366892510 1338174434 /nfs/dbraw/zinc/17/44/34/1338174434.db2.gz FRFBVGYNLPNPSM-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366892644 1338174669 /nfs/dbraw/zinc/17/46/69/1338174669.db2.gz HCURHOZAUXCUSZ-UYAOXDASSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366892644 1338174672 /nfs/dbraw/zinc/17/46/72/1338174672.db2.gz HCURHOZAUXCUSZ-UYAOXDASSA-N 1 3 345.531 2.970 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001366913111 1338197431 /nfs/dbraw/zinc/19/74/31/1338197431.db2.gz UQWDYRXPAVCQJK-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001366977696 1338236283 /nfs/dbraw/zinc/23/62/83/1338236283.db2.gz VGUBVOFZLYBMAK-INIZCTEOSA-N 1 3 329.488 2.588 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001367026804 1338285591 /nfs/dbraw/zinc/28/55/91/1338285591.db2.gz VWPBOHDXCSQKOZ-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001367040282 1338301430 /nfs/dbraw/zinc/30/14/30/1338301430.db2.gz YXSSXEFURPFDQC-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367042764 1338304564 /nfs/dbraw/zinc/30/45/64/1338304564.db2.gz CXSAJXQNFGVPOQ-PMACEKPBSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001367042764 1338304570 /nfs/dbraw/zinc/30/45/70/1338304570.db2.gz CXSAJXQNFGVPOQ-PMACEKPBSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001367043401 1338305210 /nfs/dbraw/zinc/30/52/10/1338305210.db2.gz GMISQKVAFLZQMW-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001367043401 1338305213 /nfs/dbraw/zinc/30/52/13/1338305213.db2.gz GMISQKVAFLZQMW-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001367058115 1338327221 /nfs/dbraw/zinc/32/72/21/1338327221.db2.gz JGHQCVSCFRZDHQ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001367062666 1338334709 /nfs/dbraw/zinc/33/47/09/1338334709.db2.gz YIZQBARFTZBNCQ-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001367131661 1338420453 /nfs/dbraw/zinc/42/04/53/1338420453.db2.gz JLIMYPDWXQDYEL-WOJBJXKFSA-N 1 3 345.531 2.746 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2csc(C)c2)CCCC1)N(C)C ZINC001367161973 1338460958 /nfs/dbraw/zinc/46/09/58/1338460958.db2.gz AGKVIRXYQYRTTK-INIZCTEOSA-N 1 3 337.533 2.915 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCC1 ZINC001367162317 1338461383 /nfs/dbraw/zinc/46/13/83/1338461383.db2.gz CLXSLMGGDZTGQZ-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001367196009 1338500938 /nfs/dbraw/zinc/50/09/38/1338500938.db2.gz DBDZUCLDGNUIOU-ZHALLVOQSA-N 1 3 349.494 2.929 20 0 EFADHO C[N@H+](CCC(=O)NCCC1CCN(CCF)CC1)C1CCCCC1 ZINC001367212923 1338522168 /nfs/dbraw/zinc/52/21/68/1338522168.db2.gz YKLTVXXNYFPXQX-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO C[N@@H+](CCC(=O)NCCC1CCN(CCF)CC1)C1CCCCC1 ZINC001367212923 1338522173 /nfs/dbraw/zinc/52/21/73/1338522173.db2.gz YKLTVXXNYFPXQX-UHFFFAOYSA-N 1 3 341.515 2.829 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001367217008 1338527046 /nfs/dbraw/zinc/52/70/46/1338527046.db2.gz BNWCOHLURSIVLX-IBGZPJMESA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001367225167 1338533609 /nfs/dbraw/zinc/53/36/09/1338533609.db2.gz VLKCIRJUQPIFEJ-MSOLQXFVSA-N 1 3 326.444 2.684 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(F)(F)CC1 ZINC001367225723 1338534090 /nfs/dbraw/zinc/53/40/90/1338534090.db2.gz RJXXBMPPMXKKAG-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)c1ccccc1F ZINC001367229274 1338537076 /nfs/dbraw/zinc/53/70/76/1338537076.db2.gz YUDIVBTUCDJFQJ-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN[C@H](C)c1ccccc1F ZINC001367229274 1338537077 /nfs/dbraw/zinc/53/70/77/1338537077.db2.gz YUDIVBTUCDJFQJ-HZPDHXFCSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1ccccc1 ZINC001367242283 1338546073 /nfs/dbraw/zinc/54/60/73/1338546073.db2.gz ILSMJAXYIPWNRQ-QGZVFWFLSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001367243849 1338546892 /nfs/dbraw/zinc/54/68/92/1338546892.db2.gz PFBXMYKVHZENBB-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367293204 1338593093 /nfs/dbraw/zinc/59/30/93/1338593093.db2.gz TXMYAUOBYANHFC-SWLSCSKDSA-N 1 3 345.940 2.830 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001367293173 1338593352 /nfs/dbraw/zinc/59/33/52/1338593352.db2.gz VGQSPJVBXNFPMR-RHSMWYFYSA-N 1 3 328.460 2.754 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CCc3cccs3)CCCC2)CCC1 ZINC001367318691 1338615028 /nfs/dbraw/zinc/61/50/28/1338615028.db2.gz QLKGYJSBRODIPI-UHFFFAOYSA-N 1 3 349.544 2.794 20 0 EFADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326434 1338625193 /nfs/dbraw/zinc/62/51/93/1338625193.db2.gz DXNKXINXAFWSPJ-HOTGVXAUSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001367326434 1338625197 /nfs/dbraw/zinc/62/51/97/1338625197.db2.gz DXNKXINXAFWSPJ-HOTGVXAUSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(C(F)F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001367365281 1338661092 /nfs/dbraw/zinc/66/10/92/1338661092.db2.gz YIZSGQAURYPGIT-CZUORRHYSA-N 1 3 339.430 2.655 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001367393711 1338690251 /nfs/dbraw/zinc/69/02/51/1338690251.db2.gz GVPVQJMYCGZKKO-KRWDZBQOSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001367396732 1338694010 /nfs/dbraw/zinc/69/40/10/1338694010.db2.gz GTWWQFFUPUHJQI-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001367437609 1338740238 /nfs/dbraw/zinc/74/02/38/1338740238.db2.gz GGMWPIQKCVFTTN-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001367514972 1338814561 /nfs/dbraw/zinc/81/45/61/1338814561.db2.gz HEEFTQBPWHPTAK-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001367514972 1338814564 /nfs/dbraw/zinc/81/45/64/1338814564.db2.gz HEEFTQBPWHPTAK-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001367532778 1338834660 /nfs/dbraw/zinc/83/46/60/1338834660.db2.gz FSIWXBMDVKUFRM-FUHWJXTLSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001367532778 1338834662 /nfs/dbraw/zinc/83/46/62/1338834662.db2.gz FSIWXBMDVKUFRM-FUHWJXTLSA-N 1 3 331.504 2.788 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C\Cl)C1)CC(C)(C)C ZINC001367553236 1338863746 /nfs/dbraw/zinc/86/37/46/1338863746.db2.gz HICTYEITTRHMRX-BJYXUANLSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C\Cl)C1)CC(C)(C)C ZINC001367553236 1338863749 /nfs/dbraw/zinc/86/37/49/1338863749.db2.gz HICTYEITTRHMRX-BJYXUANLSA-N 1 3 341.927 2.640 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001367555216 1338867557 /nfs/dbraw/zinc/86/75/57/1338867557.db2.gz LYMKKLAGCFQKCG-DOTOQJQBSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]21 ZINC001367555216 1338867559 /nfs/dbraw/zinc/86/75/59/1338867559.db2.gz LYMKKLAGCFQKCG-DOTOQJQBSA-N 1 3 332.492 2.701 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001367648212 1338903773 /nfs/dbraw/zinc/90/37/73/1338903773.db2.gz OOELITYAEBCHKX-YVEFUNNKSA-N 1 3 344.434 2.572 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001367695525 1338935483 /nfs/dbraw/zinc/93/54/83/1338935483.db2.gz QWQDROXORPAZJS-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001367708253 1338946779 /nfs/dbraw/zinc/94/67/79/1338946779.db2.gz KGBXMLHSIFDQNW-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1cccc(Cl)c1 ZINC001367739666 1338970006 /nfs/dbraw/zinc/97/00/06/1338970006.db2.gz KDJLQUBBAKDRNB-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001367756553 1338983690 /nfs/dbraw/zinc/98/36/90/1338983690.db2.gz VUXKDJZNCZHCOU-WMLDXEAASA-N 1 3 339.911 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001367765399 1338990675 /nfs/dbraw/zinc/99/06/75/1338990675.db2.gz UFJOUPVWISITJZ-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)c1ccccc1Cl ZINC001367765399 1338990677 /nfs/dbraw/zinc/99/06/77/1338990677.db2.gz UFJOUPVWISITJZ-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001367767586 1338992269 /nfs/dbraw/zinc/99/22/69/1338992269.db2.gz MXZRLPAUHNJGJO-NHYWBVRUSA-N 1 3 346.302 2.928 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367804243 1339023317 /nfs/dbraw/zinc/02/33/17/1339023317.db2.gz JDXZWPHTUNCJDG-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367804243 1339023321 /nfs/dbraw/zinc/02/33/21/1339023321.db2.gz JDXZWPHTUNCJDG-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)c(C)s1 ZINC001367820111 1339036800 /nfs/dbraw/zinc/03/68/00/1339036800.db2.gz HMLSRUOJZCDMEF-CQSZACIVSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1ccc(F)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367821319 1339037534 /nfs/dbraw/zinc/03/75/34/1339037534.db2.gz KTUAJHYDHGQDNY-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN(C)Cc2ccc(F)cc2)CC1 ZINC001367844428 1339060649 /nfs/dbraw/zinc/06/06/49/1339060649.db2.gz HJZBLFITRLUTGF-MRXNPFEDSA-N 1 3 349.494 2.883 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367845637 1339061631 /nfs/dbraw/zinc/06/16/31/1339061631.db2.gz OFFFCGHZEOHBBT-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@@H]1CCc2ccc(F)cc21 ZINC001367845637 1339061635 /nfs/dbraw/zinc/06/16/35/1339061635.db2.gz OFFFCGHZEOHBBT-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001367864020 1339077400 /nfs/dbraw/zinc/07/74/00/1339077400.db2.gz SFLLUBJIRQPKKT-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2CC2)c1 ZINC001367902532 1339096707 /nfs/dbraw/zinc/09/67/07/1339096707.db2.gz JNWJPUJINSRENJ-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)cc1F ZINC001367995114 1339149303 /nfs/dbraw/zinc/14/93/03/1339149303.db2.gz AYQHKVAQRRBDCM-SFHVURJKSA-N 1 3 347.478 2.745 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001367996440 1339149866 /nfs/dbraw/zinc/14/98/66/1339149866.db2.gz JJDQHSFJFVKRQB-IBGZPJMESA-N 1 3 343.515 2.860 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001368035063 1339168718 /nfs/dbraw/zinc/16/87/18/1339168718.db2.gz IELVUKXYXXSLKS-GOSISDBHSA-N 1 3 331.504 2.628 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001368062795 1339183336 /nfs/dbraw/zinc/18/33/36/1339183336.db2.gz KJEKDHRMUMSTIF-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001368062795 1339183337 /nfs/dbraw/zinc/18/33/37/1339183337.db2.gz KJEKDHRMUMSTIF-FQEVSTJZSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001368141428 1339215016 /nfs/dbraw/zinc/21/50/16/1339215016.db2.gz MSQZQSKTNUEOPN-CABCVRRESA-N 1 3 349.441 2.736 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001368141428 1339215019 /nfs/dbraw/zinc/21/50/19/1339215019.db2.gz MSQZQSKTNUEOPN-CABCVRRESA-N 1 3 349.441 2.736 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001368155701 1339224405 /nfs/dbraw/zinc/22/44/05/1339224405.db2.gz AEWIGAYKSNEYLQ-AZUAARDMSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001368193090 1339247245 /nfs/dbraw/zinc/24/72/45/1339247245.db2.gz DZRBPBUATDTWLZ-TZIWHRDSSA-N 1 3 345.531 2.909 20 0 EFADHO CCc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001368193824 1339247474 /nfs/dbraw/zinc/24/74/74/1339247474.db2.gz FSGQGIGTDAEHCC-FPOVZHCZSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001368193831 1339247594 /nfs/dbraw/zinc/24/75/94/1339247594.db2.gz FSGQGIGTDAEHCC-PZJWPPBQSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001368201073 1339252277 /nfs/dbraw/zinc/25/22/77/1339252277.db2.gz WGUNGDKCPUHKGZ-FPOVZHCZSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001368210197 1339257901 /nfs/dbraw/zinc/25/79/01/1339257901.db2.gz CGEXCJLREMFDAY-SFHVURJKSA-N 1 3 343.515 2.747 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2(C)CC[NH+](CC3CC3)CC2)c1 ZINC001368212073 1339258801 /nfs/dbraw/zinc/25/88/01/1339258801.db2.gz VBVPZYMCGPKIAN-UHFFFAOYSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC001368217795 1339264641 /nfs/dbraw/zinc/26/46/41/1339264641.db2.gz MGWSVLFPMHPFID-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C1(C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC001368217795 1339264643 /nfs/dbraw/zinc/26/46/43/1339264643.db2.gz MGWSVLFPMHPFID-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)N1CCCCCC1 ZINC001368486609 1339423376 /nfs/dbraw/zinc/42/33/76/1339423376.db2.gz UUTUCLLBDOYVQE-LXPRWKDFSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]CC2CC(C)C2)CCC1)N1CCCCCC1 ZINC001368486606 1339423441 /nfs/dbraw/zinc/42/34/41/1339423441.db2.gz UUTUCLLBDOYVQE-ADKAHSJRSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001368499489 1339437136 /nfs/dbraw/zinc/43/71/36/1339437136.db2.gz CMIQJFIQBONQCJ-ZYSHUDEJSA-N 1 3 343.515 2.630 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC001368517416 1339453035 /nfs/dbraw/zinc/45/30/35/1339453035.db2.gz DZLMANFELBFKFB-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001368517416 1339453037 /nfs/dbraw/zinc/45/30/37/1339453037.db2.gz DZLMANFELBFKFB-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001368518412 1339454386 /nfs/dbraw/zinc/45/43/86/1339454386.db2.gz COBZPECLGUVLAS-OIPACUDHSA-N 1 3 335.467 2.711 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001368522704 1339458841 /nfs/dbraw/zinc/45/88/41/1339458841.db2.gz FKDFUSRITGNQRB-UQYDPPGPSA-N 1 3 343.515 2.770 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001368527987 1339465080 /nfs/dbraw/zinc/46/50/80/1339465080.db2.gz OYENEXCNTYLDQA-OAFZBRQQSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001368527814 1339465842 /nfs/dbraw/zinc/46/58/42/1339465842.db2.gz NTUZGLOFMBUKFF-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001368527814 1339465847 /nfs/dbraw/zinc/46/58/47/1339465847.db2.gz NTUZGLOFMBUKFF-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1)N(C)C ZINC001368534214 1339473615 /nfs/dbraw/zinc/47/36/15/1339473615.db2.gz QNSYLEXAILWWEG-WBVHZDCISA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1)N(C)C ZINC001368534214 1339473617 /nfs/dbraw/zinc/47/36/17/1339473617.db2.gz QNSYLEXAILWWEG-WBVHZDCISA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368543534 1339480496 /nfs/dbraw/zinc/48/04/96/1339480496.db2.gz QJWKZLSNQRPGJE-AWEZNQCLSA-N 1 3 337.430 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368543534 1339480499 /nfs/dbraw/zinc/48/04/99/1339480499.db2.gz QJWKZLSNQRPGJE-AWEZNQCLSA-N 1 3 337.430 2.592 20 0 EFADHO CN(CCC[N@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCCN1C ZINC001368548904 1339485904 /nfs/dbraw/zinc/48/59/04/1339485904.db2.gz PUKWQSMMEHVRNN-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@@H+](C)CCc1cccs1)C(=O)[C@@H]1CCCCN1C ZINC001368548904 1339485906 /nfs/dbraw/zinc/48/59/06/1339485906.db2.gz PUKWQSMMEHVRNN-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001368549290 1339487194 /nfs/dbraw/zinc/48/71/94/1339487194.db2.gz UHPNMXXCUIEOJB-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)C1(N(C)C)CCC1 ZINC001368549290 1339487195 /nfs/dbraw/zinc/48/71/95/1339487195.db2.gz UHPNMXXCUIEOJB-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1)N(C)C ZINC001368617341 1339551344 /nfs/dbraw/zinc/55/13/44/1339551344.db2.gz NONCKWHOUGUFDU-IPMKNSEASA-N 1 3 331.504 2.565 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1)N(C)C ZINC001368617341 1339551349 /nfs/dbraw/zinc/55/13/49/1339551349.db2.gz NONCKWHOUGUFDU-IPMKNSEASA-N 1 3 331.504 2.565 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cs1 ZINC001368685900 1339599802 /nfs/dbraw/zinc/59/98/02/1339599802.db2.gz DUBKEXSTLQGMCF-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001368798273 1339730603 /nfs/dbraw/zinc/73/06/03/1339730603.db2.gz BROUTORLIVGTKF-LJQANCHMSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001368798273 1339730609 /nfs/dbraw/zinc/73/06/09/1339730609.db2.gz BROUTORLIVGTKF-LJQANCHMSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CCc1ccccc1F ZINC001368817137 1339756198 /nfs/dbraw/zinc/75/61/98/1339756198.db2.gz RZHTYTGVYNJAPR-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)CCc1ccccc1F ZINC001368817137 1339756203 /nfs/dbraw/zinc/75/62/03/1339756203.db2.gz RZHTYTGVYNJAPR-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC001368897150 1339837171 /nfs/dbraw/zinc/83/71/71/1339837171.db2.gz HKDGIXNCSRXONR-UHFFFAOYSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001368949030 1339896961 /nfs/dbraw/zinc/89/69/61/1339896961.db2.gz APGIRUUFYBQBFP-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001368949030 1339896963 /nfs/dbraw/zinc/89/69/63/1339896963.db2.gz APGIRUUFYBQBFP-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CN(CCc2cccs2)C1 ZINC001369088504 1339908189 /nfs/dbraw/zinc/90/81/89/1339908189.db2.gz BXXZUYCMEMCJAM-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001370262642 1339993543 /nfs/dbraw/zinc/99/35/43/1339993543.db2.gz GPNJEQRBMJYYPP-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001370522448 1340114307 /nfs/dbraw/zinc/11/43/07/1340114307.db2.gz MYOGZPDARMELAO-YYQUZTFQSA-N 1 3 337.895 2.978 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001370543716 1340126318 /nfs/dbraw/zinc/12/63/18/1340126318.db2.gz ABNBSTLJULNXTD-UQLJXIMDSA-N 1 3 329.488 2.523 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001370545017 1340127321 /nfs/dbraw/zinc/12/73/21/1340127321.db2.gz DGNLPOMQWQJRMK-LMFCIFFHSA-N 1 3 343.515 2.813 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2Cl)C1)N(C)C ZINC001370550722 1340129808 /nfs/dbraw/zinc/12/98/08/1340129808.db2.gz ZSDBQCTXWASISW-WBOJAVRRSA-N 1 3 337.895 2.978 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCCC3CCC3)C2)CCC1 ZINC001370755729 1340198777 /nfs/dbraw/zinc/19/87/77/1340198777.db2.gz UDNCEUATBHDEFP-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCCC3CCC3)C2)CCC1 ZINC001370755729 1340198779 /nfs/dbraw/zinc/19/87/79/1340198779.db2.gz UDNCEUATBHDEFP-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001370776560 1340205425 /nfs/dbraw/zinc/20/54/25/1340205425.db2.gz AJXXIUYLHQBYEO-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001370776560 1340205429 /nfs/dbraw/zinc/20/54/29/1340205429.db2.gz AJXXIUYLHQBYEO-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001370789529 1340211157 /nfs/dbraw/zinc/21/11/57/1340211157.db2.gz ZKXHAEBIVVDHSN-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001370789529 1340211159 /nfs/dbraw/zinc/21/11/59/1340211159.db2.gz ZKXHAEBIVVDHSN-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccccc1CN1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001370883862 1340257143 /nfs/dbraw/zinc/25/71/43/1340257143.db2.gz KDNNLFXWKSDBNV-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001370964788 1340309789 /nfs/dbraw/zinc/30/97/89/1340309789.db2.gz BXQVNUIDCVOQPY-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001370964788 1340309793 /nfs/dbraw/zinc/30/97/93/1340309793.db2.gz BXQVNUIDCVOQPY-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2F ZINC001371360983 1340528443 /nfs/dbraw/zinc/52/84/43/1340528443.db2.gz FLXNHSLUNCPEOZ-KSSFIOAISA-N 1 3 349.494 2.885 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(CF)cc1 ZINC001371363117 1340529920 /nfs/dbraw/zinc/52/99/20/1340529920.db2.gz KXWFXVYUVWEESL-HNNXBMFYSA-N 1 3 337.483 2.728 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC001371404113 1340563617 /nfs/dbraw/zinc/56/36/17/1340563617.db2.gz DUGICLZYEKPEJM-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1cc(Cl)cc(Cl)c1 ZINC001371404113 1340563622 /nfs/dbraw/zinc/56/36/22/1340563622.db2.gz DUGICLZYEKPEJM-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001371613159 1340675667 /nfs/dbraw/zinc/67/56/67/1340675667.db2.gz HVXIQNWYWBZJSK-INIZCTEOSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001371613171 1340676012 /nfs/dbraw/zinc/67/60/12/1340676012.db2.gz HWCPBTWIXVGVFE-MRXNPFEDSA-N 1 3 345.478 2.592 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001371626625 1340683263 /nfs/dbraw/zinc/68/32/63/1340683263.db2.gz DDCMRTPTZRATGL-ROUUACIJSA-N 1 3 346.519 2.577 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001371626620 1340683329 /nfs/dbraw/zinc/68/33/29/1340683329.db2.gz DDCMRTPTZRATGL-QZTJIDSGSA-N 1 3 346.519 2.577 20 0 EFADHO C[N@H+](CCCF)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001371668541 1340687990 /nfs/dbraw/zinc/68/79/90/1340687990.db2.gz VRQAFHFHBCEUSX-MRXNPFEDSA-N 1 3 327.488 2.533 20 0 EFADHO C[N@@H+](CCCF)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001371668541 1340687991 /nfs/dbraw/zinc/68/79/91/1340687991.db2.gz VRQAFHFHBCEUSX-MRXNPFEDSA-N 1 3 327.488 2.533 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(C)c(F)c1 ZINC001372366901 1340772428 /nfs/dbraw/zinc/77/24/28/1340772428.db2.gz ZLWRGSSADJBWIA-UHFFFAOYSA-N 1 3 347.478 2.701 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001372825867 1340821375 /nfs/dbraw/zinc/82/13/75/1340821375.db2.gz IOOATJQPQOMYDG-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1ccccc1)C1CC1 ZINC001372825867 1340821379 /nfs/dbraw/zinc/82/13/79/1340821379.db2.gz IOOATJQPQOMYDG-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001373288908 1340977344 /nfs/dbraw/zinc/97/73/44/1340977344.db2.gz BVXAJPUZRZGGEA-IRXDYDNUSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001373288908 1340977345 /nfs/dbraw/zinc/97/73/45/1340977345.db2.gz BVXAJPUZRZGGEA-IRXDYDNUSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373314985 1340987597 /nfs/dbraw/zinc/98/75/97/1340987597.db2.gz HDPWQPRXJLYZMM-HKUYNNGSSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373314985 1340987599 /nfs/dbraw/zinc/98/75/99/1340987599.db2.gz HDPWQPRXJLYZMM-HKUYNNGSSA-N 1 3 337.552 2.933 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCN(CCCc2ccsc2)C1 ZINC001373380484 1341005811 /nfs/dbraw/zinc/00/58/11/1341005811.db2.gz CKXQDTYLWCYDMK-QGZVFWFLSA-N 1 3 337.533 2.603 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CN(Cc2ccc3ccccc3c2)C1 ZINC001373545948 1341050080 /nfs/dbraw/zinc/05/00/80/1341050080.db2.gz YQMHXVIISIJQSP-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CN(Cc2ccc3ccccc3c2)C1 ZINC001373545948 1341050081 /nfs/dbraw/zinc/05/00/81/1341050081.db2.gz YQMHXVIISIJQSP-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCCC2)CC1 ZINC001373573899 1341058074 /nfs/dbraw/zinc/05/80/74/1341058074.db2.gz XJQMAMCDGYKYSW-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cccc(CCC[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594458 1341064140 /nfs/dbraw/zinc/06/41/40/1341064140.db2.gz UOCGOWSUFORUMM-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cccc(CCC[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594458 1341064142 /nfs/dbraw/zinc/06/41/42/1341064142.db2.gz UOCGOWSUFORUMM-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001373631028 1341076465 /nfs/dbraw/zinc/07/64/65/1341076465.db2.gz QLXCJEDVPXAMAZ-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001373631028 1341076466 /nfs/dbraw/zinc/07/64/66/1341076466.db2.gz QLXCJEDVPXAMAZ-RTBURBONSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001373757287 1341136531 /nfs/dbraw/zinc/13/65/31/1341136531.db2.gz FZWOMEAYIHZCEH-QCSXQHJISA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001373757290 1341136565 /nfs/dbraw/zinc/13/65/65/1341136565.db2.gz FZWOMEAYIHZCEH-RXNMKEHESA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1cc(C)ccc1C ZINC001373805959 1341155924 /nfs/dbraw/zinc/15/59/24/1341155924.db2.gz YVSOZYOBYPUCBW-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001373859909 1341178340 /nfs/dbraw/zinc/17/83/40/1341178340.db2.gz GOTFDAOCCULATB-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2(C[NH2+]CC3CC3)CCCC2)c1 ZINC001373865496 1341180542 /nfs/dbraw/zinc/18/05/42/1341180542.db2.gz OGSVICFMVWBZSL-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001373879090 1341185603 /nfs/dbraw/zinc/18/56/03/1341185603.db2.gz KKIOTORQFVRSBJ-NRFANRHFSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001373938649 1341223952 /nfs/dbraw/zinc/22/39/52/1341223952.db2.gz QGGPVDHTEQAMQQ-RDTXFTJFSA-N 1 3 329.916 2.543 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001373968196 1341262034 /nfs/dbraw/zinc/26/20/34/1341262034.db2.gz HEZKFCKWRYDPDF-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C[NH2+]Cc1cccc(F)c1 ZINC001374013613 1341302611 /nfs/dbraw/zinc/30/26/11/1341302611.db2.gz LDBJMWNKALATHS-MRXNPFEDSA-N 1 3 349.494 2.932 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001374014517 1341303832 /nfs/dbraw/zinc/30/38/32/1341303832.db2.gz OZXSTANMFAODMF-PXNSSMCTSA-N 1 3 345.531 2.964 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374017645 1341305862 /nfs/dbraw/zinc/30/58/62/1341305862.db2.gz WWFDQFIUTQKCOJ-CRAIPNDOSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001374067929 1341358197 /nfs/dbraw/zinc/35/81/97/1341358197.db2.gz COTMAFYCMGOPPB-KBXCAEBGSA-N 1 3 337.483 2.562 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001374288125 1341665092 /nfs/dbraw/zinc/66/50/92/1341665092.db2.gz QPYXBUXVWQPPIT-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001374305781 1341690732 /nfs/dbraw/zinc/69/07/32/1341690732.db2.gz KSFQRNRJRYTSEP-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001374305781 1341690733 /nfs/dbraw/zinc/69/07/33/1341690733.db2.gz KSFQRNRJRYTSEP-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374321036 1341719145 /nfs/dbraw/zinc/71/91/45/1341719145.db2.gz NDRBNACDLHYVMZ-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001392196474 1355852517 /nfs/dbraw/zinc/85/25/17/1355852517.db2.gz RXDBUVQGXVKTEH-VGZDNEPHSA-N 1 3 329.916 2.640 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cs1 ZINC001392226545 1355880709 /nfs/dbraw/zinc/88/07/09/1355880709.db2.gz ABESGPKWDUXYJU-INIZCTEOSA-N 1 3 337.533 2.771 20 0 EFADHO C[C@@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001374392016 1341847306 /nfs/dbraw/zinc/84/73/06/1341847306.db2.gz JSGAQONKVCONIK-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001374419739 1341898596 /nfs/dbraw/zinc/89/85/96/1341898596.db2.gz PEWDHMSIIOUEKV-WHLNPGIBSA-N 1 3 329.916 2.734 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001374433661 1341916419 /nfs/dbraw/zinc/91/64/19/1341916419.db2.gz GQNFIPMDUNLJFR-SFHVURJKSA-N 1 3 333.520 2.895 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1 ZINC001374433660 1341916642 /nfs/dbraw/zinc/91/66/42/1341916642.db2.gz GQNFIPMDUNLJFR-GOSISDBHSA-N 1 3 333.520 2.895 20 0 EFADHO Cc1cncc(C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C)c1 ZINC001374434584 1341917413 /nfs/dbraw/zinc/91/74/13/1341917413.db2.gz VSGIIZGOMHUHLJ-GOSISDBHSA-N 1 3 348.535 2.598 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001392593704 1356144503 /nfs/dbraw/zinc/14/45/03/1356144503.db2.gz HHKMNDTXHPUCRY-WFASDCNBSA-N 1 3 327.419 2.559 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1csc(C)c1)C(C)C)N(C)C ZINC001374442129 1341926038 /nfs/dbraw/zinc/92/60/38/1341926038.db2.gz ATQOCKOIKOTLMO-CVEARBPZSA-N 1 3 325.522 2.627 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001374490200 1341968513 /nfs/dbraw/zinc/96/85/13/1341968513.db2.gz DQSWUGUJLKXRLY-IBGZPJMESA-N 1 3 349.494 2.919 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001374490200 1341968516 /nfs/dbraw/zinc/96/85/16/1341968516.db2.gz DQSWUGUJLKXRLY-IBGZPJMESA-N 1 3 349.494 2.919 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374545951 1342051022 /nfs/dbraw/zinc/05/10/22/1342051022.db2.gz DBTMWFIINUAPNS-SFHVURJKSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CCC(C)CC1 ZINC001374545951 1342051023 /nfs/dbraw/zinc/05/10/23/1342051023.db2.gz DBTMWFIINUAPNS-SFHVURJKSA-N 1 3 331.504 2.870 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)s1 ZINC001374813507 1342186048 /nfs/dbraw/zinc/18/60/48/1342186048.db2.gz HETANSMOQCFFMT-CYBMUJFWSA-N 1 3 339.549 2.937 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001374815344 1342186601 /nfs/dbraw/zinc/18/66/01/1342186601.db2.gz YSMWUPOSFPSEHO-BVGQSLNGSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@@H](CNCc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374887003 1342223617 /nfs/dbraw/zinc/22/36/17/1342223617.db2.gz PQUIHUAQSQBWLB-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001375057867 1342360835 /nfs/dbraw/zinc/36/08/35/1342360835.db2.gz UWHUWEYZDGNZBI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001375057867 1342360838 /nfs/dbraw/zinc/36/08/38/1342360838.db2.gz UWHUWEYZDGNZBI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375094349 1342403862 /nfs/dbraw/zinc/40/38/62/1342403862.db2.gz KCNLXQRHSZWJCJ-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001375094349 1342403864 /nfs/dbraw/zinc/40/38/64/1342403864.db2.gz KCNLXQRHSZWJCJ-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001375096269 1342405512 /nfs/dbraw/zinc/40/55/12/1342405512.db2.gz RPGVQZGSJZHIED-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001375173528 1342489415 /nfs/dbraw/zinc/48/94/15/1342489415.db2.gz DEWVRASQWZFNAH-QUCCMNQESA-N 1 3 343.515 2.936 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001375228060 1342531136 /nfs/dbraw/zinc/53/11/36/1342531136.db2.gz IYBIMIYUXQBHOZ-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001375231664 1342535071 /nfs/dbraw/zinc/53/50/71/1342535071.db2.gz YMEOWULCSVMKDG-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1)N(C)C ZINC001375255613 1342559938 /nfs/dbraw/zinc/55/99/38/1342559938.db2.gz BNTNISOMQNTSDI-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001375265393 1342571027 /nfs/dbraw/zinc/57/10/27/1342571027.db2.gz ATZGJLXJAVEJRV-WOJBJXKFSA-N 1 3 343.515 2.890 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@H](CC)C1 ZINC001375287819 1342595688 /nfs/dbraw/zinc/59/56/88/1342595688.db2.gz OIGZXFJSZMWMHU-MOPGFXCFSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001375335589 1342641576 /nfs/dbraw/zinc/64/15/76/1342641576.db2.gz SJSHKAGUEIRKIO-MOPGFXCFSA-N 1 3 343.515 2.639 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1CC[C@H]1CCc2ccccc21 ZINC001375335595 1342641587 /nfs/dbraw/zinc/64/15/87/1342641587.db2.gz SJSHKAGUEIRKIO-RTBURBONSA-N 1 3 343.515 2.639 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2C)CC1 ZINC001375426237 1342729718 /nfs/dbraw/zinc/72/97/18/1342729718.db2.gz ZBJODPAQZSKGKG-SFHVURJKSA-N 1 3 329.488 2.608 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001375508072 1342814819 /nfs/dbraw/zinc/81/48/19/1342814819.db2.gz BSXZCKNDIRNDIH-SCTDSRPQSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001375548827 1342862282 /nfs/dbraw/zinc/86/22/82/1342862282.db2.gz JOKYMAXACUDOSN-XIRDDKMYSA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001375551502 1342864723 /nfs/dbraw/zinc/86/47/23/1342864723.db2.gz CCIIWBBPRQIPDU-JCNLHEQBSA-N 1 3 337.533 2.691 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C[C@@H]1C ZINC001375734631 1342963838 /nfs/dbraw/zinc/96/38/38/1342963838.db2.gz BWAHXKZTIOMFMX-AZUAARDMSA-N 1 3 345.531 2.848 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)CC(C)(C)C ZINC001375760521 1342983608 /nfs/dbraw/zinc/98/36/08/1342983608.db2.gz KWTNQVKFBZVCJG-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001375894157 1343141135 /nfs/dbraw/zinc/14/11/35/1343141135.db2.gz YFJNWACVOPPASR-PZJWPPBQSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001375916097 1343163815 /nfs/dbraw/zinc/16/38/15/1343163815.db2.gz GPOSJBXHLHLBEF-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@]1(C)CCCN(Cc2ccc(F)cc2)C1 ZINC001375953950 1343208757 /nfs/dbraw/zinc/20/87/57/1343208757.db2.gz XEQSYOIMHYFPSR-HXUWFJFHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001375962710 1343222083 /nfs/dbraw/zinc/22/20/83/1343222083.db2.gz ZXHBWFHZTXHYRL-PZJWPPBQSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001375962710 1343222087 /nfs/dbraw/zinc/22/20/87/1343222087.db2.gz ZXHBWFHZTXHYRL-PZJWPPBQSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376059127 1343292968 /nfs/dbraw/zinc/29/29/68/1343292968.db2.gz MQWGMSWVNZEZDS-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001376072701 1343307328 /nfs/dbraw/zinc/30/73/28/1343307328.db2.gz SZNJTUWUDSXYIN-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001376132737 1343343974 /nfs/dbraw/zinc/34/39/74/1343343974.db2.gz JSVHPLDKDRJMNN-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001376132737 1343343977 /nfs/dbraw/zinc/34/39/77/1343343977.db2.gz JSVHPLDKDRJMNN-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376140116 1343349357 /nfs/dbraw/zinc/34/93/57/1343349357.db2.gz CZOWTHLQXOEBET-VQTJNVASSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376140116 1343349361 /nfs/dbraw/zinc/34/93/61/1343349361.db2.gz CZOWTHLQXOEBET-VQTJNVASSA-N 1 3 345.531 2.568 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001376157338 1343363067 /nfs/dbraw/zinc/36/30/67/1343363067.db2.gz YAHVTGSADGNKHB-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)cc(C)c2)C1 ZINC001376157338 1343363075 /nfs/dbraw/zinc/36/30/75/1343363075.db2.gz YAHVTGSADGNKHB-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c(C)c1 ZINC001376165937 1343368959 /nfs/dbraw/zinc/36/89/59/1343368959.db2.gz OACLUUGBBONISY-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001376166809 1343370273 /nfs/dbraw/zinc/37/02/73/1343370273.db2.gz QWJFAJYJDSGIHU-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC12CC[NH+](C[C@H](C)CC(C)C)CC2 ZINC001376175419 1343375617 /nfs/dbraw/zinc/37/56/17/1343375617.db2.gz CXLBCWFQBUKESX-CRAIPNDOSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001376254880 1343430834 /nfs/dbraw/zinc/43/08/34/1343430834.db2.gz IOUCBCQFYOYYJL-OALUTQOASA-N 1 3 349.494 2.705 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328434 1343486830 /nfs/dbraw/zinc/48/68/30/1343486830.db2.gz HPRMPYZNVSRIPC-HZPDHXFCSA-N 1 3 349.544 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccc(F)cc2)C1 ZINC001376339053 1343495716 /nfs/dbraw/zinc/49/57/16/1343495716.db2.gz CFQPWJJMZMTNAN-ROUUACIJSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)C1)N(C)C ZINC001376376617 1343529001 /nfs/dbraw/zinc/52/90/01/1343529001.db2.gz PSIJRSDHVLLXQG-UMVBOHGHSA-N 1 3 341.858 2.556 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625582 1343732244 /nfs/dbraw/zinc/73/22/44/1343732244.db2.gz NUMPVQNBCHNCJD-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001376625582 1343732246 /nfs/dbraw/zinc/73/22/46/1343732246.db2.gz NUMPVQNBCHNCJD-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001376741261 1343796940 /nfs/dbraw/zinc/79/69/40/1343796940.db2.gz AKSZBXSHXPVMAW-HKUYNNGSSA-N 1 3 333.520 2.792 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001376741251 1343797212 /nfs/dbraw/zinc/79/72/12/1343797212.db2.gz CIKAXJPCFQQEFP-KRWDZBQOSA-N 1 3 345.531 2.964 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001376755218 1343810001 /nfs/dbraw/zinc/81/00/01/1343810001.db2.gz XKBGODKLDAZASR-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)NCc1cccc(F)c1 ZINC001376848395 1343889554 /nfs/dbraw/zinc/88/95/54/1343889554.db2.gz ZRYCSPZLYOYHAU-HNNXBMFYSA-N 1 3 347.478 2.542 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001376851732 1343891747 /nfs/dbraw/zinc/89/17/47/1343891747.db2.gz VGWMJJJARPJXCU-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912178 1343951306 /nfs/dbraw/zinc/95/13/06/1343951306.db2.gz UNVSEDQPAILHDK-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376912178 1343951309 /nfs/dbraw/zinc/95/13/09/1343951309.db2.gz UNVSEDQPAILHDK-IEBWSBKVSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)CC1 ZINC001376914211 1343952268 /nfs/dbraw/zinc/95/22/68/1343952268.db2.gz RVMNLCPMQVSABE-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)CC1 ZINC001376914211 1343952276 /nfs/dbraw/zinc/95/22/76/1343952276.db2.gz RVMNLCPMQVSABE-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001376938054 1343969945 /nfs/dbraw/zinc/96/99/45/1343969945.db2.gz GSNXYOZBGGXTCZ-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)CN(C)C1CCC1 ZINC001376938054 1343969946 /nfs/dbraw/zinc/96/99/46/1343969946.db2.gz GSNXYOZBGGXTCZ-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)Cc2ccc(CF)cc2)CCC1 ZINC001376943853 1343974040 /nfs/dbraw/zinc/97/40/40/1343974040.db2.gz UDDXCECPCDOXAH-UHFFFAOYSA-N 1 3 349.494 2.921 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)Cc2ccc(CF)cc2)CCC1 ZINC001376943853 1343974045 /nfs/dbraw/zinc/97/40/45/1343974045.db2.gz UDDXCECPCDOXAH-UHFFFAOYSA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC001376946287 1343976348 /nfs/dbraw/zinc/97/63/48/1343976348.db2.gz BBKYAUKUUIGMBC-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CN(CCC[N@H+](C)Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C ZINC001376965282 1343993688 /nfs/dbraw/zinc/99/36/88/1343993688.db2.gz JDSWWNSTUMUYRM-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cccc(Cl)c1)C(=O)[C@H]1CCCN1C ZINC001376965282 1343993692 /nfs/dbraw/zinc/99/36/92/1343993692.db2.gz JDSWWNSTUMUYRM-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO C[N@H+](CCCc1ccsc1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376991150 1344026032 /nfs/dbraw/zinc/02/60/32/1344026032.db2.gz ORNKTJJKWCOAHG-QGZVFWFLSA-N 1 3 346.500 2.569 20 0 EFADHO C[N@@H+](CCCc1ccsc1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001376991150 1344026033 /nfs/dbraw/zinc/02/60/33/1344026033.db2.gz ORNKTJJKWCOAHG-QGZVFWFLSA-N 1 3 346.500 2.569 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001377034617 1344079937 /nfs/dbraw/zinc/07/99/37/1344079937.db2.gz BWBDIIQIWRDKMP-PBHICJAKSA-N 1 3 339.911 2.911 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001492824069 1357166803 /nfs/dbraw/zinc/16/68/03/1357166803.db2.gz QDSDJQOCUJXOLS-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001492824069 1357166808 /nfs/dbraw/zinc/16/68/08/1357166808.db2.gz QDSDJQOCUJXOLS-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001377184052 1344142707 /nfs/dbraw/zinc/14/27/07/1344142707.db2.gz RSVPYSISDBQYMW-GOSISDBHSA-N 1 3 333.520 2.872 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001377184052 1344142708 /nfs/dbraw/zinc/14/27/08/1344142708.db2.gz RSVPYSISDBQYMW-GOSISDBHSA-N 1 3 333.520 2.872 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001377373807 1344155097 /nfs/dbraw/zinc/15/50/97/1344155097.db2.gz CCPOLOLIKCJABT-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001377373807 1344155101 /nfs/dbraw/zinc/15/51/01/1344155101.db2.gz CCPOLOLIKCJABT-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001377373817 1344155741 /nfs/dbraw/zinc/15/57/41/1344155741.db2.gz CCPOLOLIKCJABT-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001377373817 1344155742 /nfs/dbraw/zinc/15/57/42/1344155742.db2.gz CCPOLOLIKCJABT-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001377452391 1344164261 /nfs/dbraw/zinc/16/42/61/1344164261.db2.gz OHEXIDGLAGFNBL-KSSFIOAISA-N 1 3 347.478 2.782 20 0 EFADHO CC1CC(C[N@H+](CCNC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001377568335 1344178182 /nfs/dbraw/zinc/17/81/82/1344178182.db2.gz LRVPVLQIUPZXNO-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@@H+](CCNC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001377568335 1344178186 /nfs/dbraw/zinc/17/81/86/1344178186.db2.gz LRVPVLQIUPZXNO-UHFFFAOYSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001377613833 1344221897 /nfs/dbraw/zinc/22/18/97/1344221897.db2.gz VKOYOOZCYHGGQN-ZJIBPLLGSA-N 1 3 329.916 2.542 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377706672 1344349971 /nfs/dbraw/zinc/34/99/71/1344349971.db2.gz JVOHNCLDJLYHPL-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1)N(C)C ZINC001377706672 1344349975 /nfs/dbraw/zinc/34/99/75/1344349975.db2.gz JVOHNCLDJLYHPL-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001377721613 1344369912 /nfs/dbraw/zinc/36/99/12/1344369912.db2.gz LZZOAIUOSBPBMW-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1)N(C)C ZINC001377721613 1344369916 /nfs/dbraw/zinc/36/99/16/1344369916.db2.gz LZZOAIUOSBPBMW-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377786743 1344438370 /nfs/dbraw/zinc/43/83/70/1344438370.db2.gz BZECQYANOFESNX-SJLPKXTDSA-N 1 3 325.541 2.789 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001377786743 1344438374 /nfs/dbraw/zinc/43/83/74/1344438374.db2.gz BZECQYANOFESNX-SJLPKXTDSA-N 1 3 325.541 2.789 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001377792539 1344445885 /nfs/dbraw/zinc/44/58/85/1344445885.db2.gz UJNSLCNEICPGBL-XBMZPMPPSA-N 1 3 341.927 2.784 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001377792539 1344445891 /nfs/dbraw/zinc/44/58/91/1344445891.db2.gz UJNSLCNEICPGBL-XBMZPMPPSA-N 1 3 341.927 2.784 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001393828218 1357192009 /nfs/dbraw/zinc/19/20/09/1357192009.db2.gz NBFBXKAWMQQZGP-ZDUSSCGKSA-N 1 3 348.878 2.641 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CCCc2ccccc2)C1)CC(C)(C)C ZINC001377994165 1344645139 /nfs/dbraw/zinc/64/51/39/1344645139.db2.gz DSQTZSMZRYNBTJ-UHFFFAOYSA-N 1 3 345.531 2.645 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CCC[NH+]3CCCC3)C2)c(C)c1 ZINC001378023123 1344673205 /nfs/dbraw/zinc/67/32/05/1344673205.db2.gz QFZBMANFIPIDSF-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/c1ccccc1 ZINC001378047327 1344698492 /nfs/dbraw/zinc/69/84/92/1344698492.db2.gz KEJYITOPJYAHPI-DVFNVHRYSA-N 1 3 341.499 2.717 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/c1ccccc1 ZINC001378047327 1344698495 /nfs/dbraw/zinc/69/84/95/1344698495.db2.gz KEJYITOPJYAHPI-DVFNVHRYSA-N 1 3 341.499 2.717 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378063906 1344717067 /nfs/dbraw/zinc/71/70/67/1344717067.db2.gz LSUAZMVXOBXSHL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001378063906 1344717073 /nfs/dbraw/zinc/71/70/73/1344717073.db2.gz LSUAZMVXOBXSHL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001378065210 1344719005 /nfs/dbraw/zinc/71/90/05/1344719005.db2.gz AYLXBGCFMMXCBA-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001378065210 1344719007 /nfs/dbraw/zinc/71/90/07/1344719007.db2.gz AYLXBGCFMMXCBA-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001378067828 1344722153 /nfs/dbraw/zinc/72/21/53/1344722153.db2.gz ZNTFPMCVANEYEM-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001378067828 1344722155 /nfs/dbraw/zinc/72/21/55/1344722155.db2.gz ZNTFPMCVANEYEM-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001378120025 1344781447 /nfs/dbraw/zinc/78/14/47/1344781447.db2.gz KYQDBJQIMBBQFH-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001378163106 1344830348 /nfs/dbraw/zinc/83/03/48/1344830348.db2.gz GMISQKVAFLZQMW-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001378163106 1344830350 /nfs/dbraw/zinc/83/03/50/1344830350.db2.gz GMISQKVAFLZQMW-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001378163109 1344830960 /nfs/dbraw/zinc/83/09/60/1344830960.db2.gz GMISQKVAFLZQMW-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001378163109 1344830964 /nfs/dbraw/zinc/83/09/64/1344830964.db2.gz GMISQKVAFLZQMW-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001378168356 1344837463 /nfs/dbraw/zinc/83/74/63/1344837463.db2.gz YPPJMPKKBGFXGG-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001378199794 1344878285 /nfs/dbraw/zinc/87/82/85/1344878285.db2.gz PFJAELHAUQOKOZ-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001378201831 1344881260 /nfs/dbraw/zinc/88/12/60/1344881260.db2.gz RIIKMEXCGSGUAI-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001378246463 1344927479 /nfs/dbraw/zinc/92/74/79/1344927479.db2.gz BNQQSJGCPPDDQJ-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCC1)N(C)C ZINC001378352837 1345006909 /nfs/dbraw/zinc/00/69/09/1345006909.db2.gz MUCASRNAVPZMMJ-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1cc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c(C)s1 ZINC001378561335 1345163640 /nfs/dbraw/zinc/16/36/40/1345163640.db2.gz QNQAGIMKLQJWSG-CQSZACIVSA-N 1 3 337.533 2.643 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001378578697 1345175306 /nfs/dbraw/zinc/17/53/06/1345175306.db2.gz RTFLANPWMWZYKX-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001378578697 1345175309 /nfs/dbraw/zinc/17/53/09/1345175309.db2.gz RTFLANPWMWZYKX-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001378610824 1345197091 /nfs/dbraw/zinc/19/70/91/1345197091.db2.gz HYGCEFOYVNKSSF-BLLLJJGKSA-N 1 3 325.522 2.547 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001378616795 1345200549 /nfs/dbraw/zinc/20/05/49/1345200549.db2.gz SBFLWQUXADIMLC-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl)N(C)C ZINC001378617572 1345201430 /nfs/dbraw/zinc/20/14/30/1345201430.db2.gz UQJDPUWPLVJWIU-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001378621427 1345204161 /nfs/dbraw/zinc/20/41/61/1345204161.db2.gz GLZXAFMRCMIQOX-STQMWFEESA-N 1 3 332.423 2.503 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001378734320 1345282698 /nfs/dbraw/zinc/28/26/98/1345282698.db2.gz VRXWIUMQUCBDPQ-SFHVURJKSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H](CNCc1ccc(Cl)s1)N(C)C(=O)CCC[NH+](C)C ZINC001378815823 1345335822 /nfs/dbraw/zinc/33/58/22/1345335822.db2.gz WGUFATCGQSIPMC-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1F ZINC001378831739 1345347708 /nfs/dbraw/zinc/34/77/08/1345347708.db2.gz HQBGBYRGAHYYTC-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccc(Cl)cc1F ZINC001378831739 1345347711 /nfs/dbraw/zinc/34/77/11/1345347711.db2.gz HQBGBYRGAHYYTC-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001378845867 1345358669 /nfs/dbraw/zinc/35/86/69/1345358669.db2.gz STPIKUSAJJHOIP-BBRMVZONSA-N 1 3 325.522 2.579 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)[C@H](C)C1 ZINC001378895657 1345404528 /nfs/dbraw/zinc/40/45/28/1345404528.db2.gz JJCIOEIBCRPVKV-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccccc1F ZINC001378977493 1345474320 /nfs/dbraw/zinc/47/43/20/1345474320.db2.gz PDMGKNDBUKADHB-GOSISDBHSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001379101797 1345579239 /nfs/dbraw/zinc/57/92/39/1345579239.db2.gz WNDWGYZKGKBRSZ-ROUUACIJSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001379101797 1345579245 /nfs/dbraw/zinc/57/92/45/1345579245.db2.gz WNDWGYZKGKBRSZ-ROUUACIJSA-N 1 3 331.504 2.788 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)Cc2ccccc2)CC1 ZINC001379115396 1345593040 /nfs/dbraw/zinc/59/30/40/1345593040.db2.gz AQLDEDYZBXOZIE-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001379142818 1345620430 /nfs/dbraw/zinc/62/04/30/1345620430.db2.gz BGHIFSPYGJTMCM-FWVUHSSSSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C2(N(C)C)CCC2)cs1 ZINC001379157781 1345631994 /nfs/dbraw/zinc/63/19/94/1345631994.db2.gz SBSSGBZKEZELPB-DLBZAZTESA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C2(N(C)C)CCC2)cs1 ZINC001379157796 1345632235 /nfs/dbraw/zinc/63/22/35/1345632235.db2.gz SBSSGBZKEZELPB-IRXDYDNUSA-N 1 3 349.544 2.915 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001393886652 1357255634 /nfs/dbraw/zinc/25/56/34/1357255634.db2.gz ZISVQZWIGJCRJY-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC001393886652 1357255635 /nfs/dbraw/zinc/25/56/35/1357255635.db2.gz ZISVQZWIGJCRJY-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001379234400 1345673170 /nfs/dbraw/zinc/67/31/70/1345673170.db2.gz SOAJEORZRAQRCR-MAUKXSAKSA-N 1 3 337.483 2.679 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2F)C(=O)[C@H](C(C)C)N(C)C ZINC001379310335 1345715303 /nfs/dbraw/zinc/71/53/03/1345715303.db2.gz WVLTVBNEDDMVTR-OALUTQOASA-N 1 3 349.494 2.837 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001379312353 1345717131 /nfs/dbraw/zinc/71/71/31/1345717131.db2.gz GUWUZKOMPKNPJT-SUMWQHHRSA-N 1 3 341.446 2.804 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)[C@@H](C(C)C)N(C)C ZINC001379328811 1345732360 /nfs/dbraw/zinc/73/23/60/1345732360.db2.gz WVLTVBNEDDMVTR-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2ccccc2c1)NC(=O)CN(C)C1CCC1 ZINC001379383657 1345757247 /nfs/dbraw/zinc/75/72/47/1345757247.db2.gz PSFYYJLXVGSTCR-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001393892690 1357262308 /nfs/dbraw/zinc/26/23/08/1357262308.db2.gz CVBRSRQYFSTBGH-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CCC3CC3)C2)C1 ZINC001393892690 1357262310 /nfs/dbraw/zinc/26/23/10/1357262310.db2.gz CVBRSRQYFSTBGH-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1cc2ccccc2o1)[NH+](C)C ZINC001379448651 1345790000 /nfs/dbraw/zinc/79/00/00/1345790000.db2.gz JGPMHNISHWBMJR-KDOFPFPSSA-N 1 3 331.460 2.613 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001379516644 1345822347 /nfs/dbraw/zinc/82/23/47/1345822347.db2.gz NLBTXICDRMSWPU-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001379517224 1345822516 /nfs/dbraw/zinc/82/25/16/1345822516.db2.gz RXYDYKKADWHIRF-HNNXBMFYSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001379578791 1345884317 /nfs/dbraw/zinc/88/43/17/1345884317.db2.gz HTWYXRLTLDKLSX-SMDDNHRTSA-N 1 3 331.913 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001379579846 1345885501 /nfs/dbraw/zinc/88/55/01/1345885501.db2.gz ONGGTVAQTZKXCN-KXBFYZLASA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC001379599239 1345911231 /nfs/dbraw/zinc/91/12/31/1345911231.db2.gz UCTQKFHHOFLDRO-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001379668638 1347244601 /nfs/dbraw/zinc/24/46/01/1347244601.db2.gz LWLIQIFFTIVSOV-SFHVURJKSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001379668638 1347244603 /nfs/dbraw/zinc/24/46/03/1347244603.db2.gz LWLIQIFFTIVSOV-SFHVURJKSA-N 1 3 345.531 2.930 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001379685411 1347257364 /nfs/dbraw/zinc/25/73/64/1347257364.db2.gz QSBXZTMYVSIXRA-WBVHZDCISA-N 1 3 347.478 2.685 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001379875320 1347382062 /nfs/dbraw/zinc/38/20/62/1347382062.db2.gz KVEKRKVABBBWAV-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001379878022 1347383433 /nfs/dbraw/zinc/38/34/33/1347383433.db2.gz OSFBOBFFEHYSGX-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(OC)cc1)C(C)(C)C)N(C)C ZINC001380092123 1347512025 /nfs/dbraw/zinc/51/20/25/1347512025.db2.gz YEYRWJXUSRXCMJ-ROUUACIJSA-N 1 3 349.519 2.656 20 0 EFADHO Cc1ccc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)cc1F ZINC001380170511 1347546957 /nfs/dbraw/zinc/54/69/57/1347546957.db2.gz KUQOHSFLGHHQKB-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO Cc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001380172441 1347547814 /nfs/dbraw/zinc/54/78/14/1347547814.db2.gz PWRZIBUVMUDNAX-CTWPCTMYSA-N 1 3 331.504 2.660 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001380176631 1347550387 /nfs/dbraw/zinc/55/03/87/1347550387.db2.gz NFYBTFFTVGLFQX-JCYILVPMSA-N 1 3 337.533 2.722 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001380294373 1347573089 /nfs/dbraw/zinc/57/30/89/1347573089.db2.gz MSAMYSPBOVIEBH-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001380312461 1347584981 /nfs/dbraw/zinc/58/49/81/1347584981.db2.gz KXHHLTMNXUURFT-OAHLLOKOSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001380471240 1347699763 /nfs/dbraw/zinc/69/97/63/1347699763.db2.gz FLNOVZMAWWKYMC-PKOBYXMFSA-N 1 3 325.541 2.981 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)N(C)C)C1 ZINC001380471240 1347699766 /nfs/dbraw/zinc/69/97/66/1347699766.db2.gz FLNOVZMAWWKYMC-PKOBYXMFSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380660137 1347795625 /nfs/dbraw/zinc/79/56/25/1347795625.db2.gz GBSWDRDKPUMRQQ-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001380860909 1347920231 /nfs/dbraw/zinc/92/02/31/1347920231.db2.gz VQGZTHAPWAPKOB-HNNXBMFYSA-N 1 3 343.462 2.535 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCC1)N(C)C ZINC001380893043 1347940658 /nfs/dbraw/zinc/94/06/58/1347940658.db2.gz DZWHPZVRKUKAGP-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C)c(C)c2)CCC1)N(C)C ZINC001380893037 1347940716 /nfs/dbraw/zinc/94/07/16/1347940716.db2.gz DZWHPZVRKUKAGP-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)CC1 ZINC001380938279 1347970594 /nfs/dbraw/zinc/97/05/94/1347970594.db2.gz ITXUBOBNILJLJA-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)CC1 ZINC001380938279 1347970597 /nfs/dbraw/zinc/97/05/97/1347970597.db2.gz ITXUBOBNILJLJA-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380968921 1347991147 /nfs/dbraw/zinc/99/11/47/1347991147.db2.gz DSXNGTPVSMLTKE-GOSISDBHSA-N 1 3 328.460 2.884 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380968921 1347991149 /nfs/dbraw/zinc/99/11/49/1347991149.db2.gz DSXNGTPVSMLTKE-GOSISDBHSA-N 1 3 328.460 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380968924 1347991882 /nfs/dbraw/zinc/99/18/82/1347991882.db2.gz DSXNGTPVSMLTKE-SFHVURJKSA-N 1 3 328.460 2.884 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001380968924 1347991885 /nfs/dbraw/zinc/99/18/85/1347991885.db2.gz DSXNGTPVSMLTKE-SFHVURJKSA-N 1 3 328.460 2.884 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001381095795 1348073264 /nfs/dbraw/zinc/07/32/64/1348073264.db2.gz IOJCCHIDMWNZQI-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001381101111 1348076235 /nfs/dbraw/zinc/07/62/35/1348076235.db2.gz IFJOCMNGMXQFBV-WMZOPIPTSA-N 1 3 331.504 2.601 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001381109874 1348081572 /nfs/dbraw/zinc/08/15/72/1348081572.db2.gz WADYQZIMOPMLGU-MAUKXSAKSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001381120973 1348090298 /nfs/dbraw/zinc/09/02/98/1348090298.db2.gz CPXPZPDHYOSKIS-ZBFHGGJFSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001381121476 1348090740 /nfs/dbraw/zinc/09/07/40/1348090740.db2.gz DVMGWCCMVOFUCO-QFBILLFUSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001381125221 1348093559 /nfs/dbraw/zinc/09/35/59/1348093559.db2.gz TZGCKQPHOSIPFU-OXJNMPFZSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1CCc1cccs1 ZINC001381171292 1348119617 /nfs/dbraw/zinc/11/96/17/1348119617.db2.gz OZDXFAQNZYIUDT-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1CCc1cccs1 ZINC001381171292 1348119620 /nfs/dbraw/zinc/11/96/20/1348119620.db2.gz OZDXFAQNZYIUDT-HOTGVXAUSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001381211620 1348143099 /nfs/dbraw/zinc/14/30/99/1348143099.db2.gz WJAIFAXOYZPEOJ-PKOBYXMFSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC1CC1)N(C)C ZINC001381274337 1348178413 /nfs/dbraw/zinc/17/84/13/1348178413.db2.gz FEICROCXHKGUSC-VAMGGRTRSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCc1cccs1)N(C)C ZINC001381298399 1348197865 /nfs/dbraw/zinc/19/78/65/1348197865.db2.gz KOEALHUNNIAHKJ-RDJZCZTQSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CCc1cccs1)N(C)C ZINC001381298399 1348197867 /nfs/dbraw/zinc/19/78/67/1348197867.db2.gz KOEALHUNNIAHKJ-RDJZCZTQSA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)N(C)C ZINC001381456069 1348287617 /nfs/dbraw/zinc/28/76/17/1348287617.db2.gz HIXNXPREWZDGHE-FYILFTEQSA-N 1 3 329.916 2.684 20 0 EFADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@@H](C)c1cccc(F)c1 ZINC001381571262 1348368304 /nfs/dbraw/zinc/36/83/04/1348368304.db2.gz ILJPITAZYXKRRF-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381579867 1348375776 /nfs/dbraw/zinc/37/57/76/1348375776.db2.gz XDGDFKIAAATENH-KDOFPFPSSA-N 1 3 347.478 2.591 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001381611029 1348402316 /nfs/dbraw/zinc/40/23/16/1348402316.db2.gz ORPLMPZIADWGJI-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001381611029 1348402319 /nfs/dbraw/zinc/40/23/19/1348402319.db2.gz ORPLMPZIADWGJI-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001381802461 1348536025 /nfs/dbraw/zinc/53/60/25/1348536025.db2.gz GYOPXORKDFVKDQ-PXNSSMCTSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001382127852 1348748487 /nfs/dbraw/zinc/74/84/87/1348748487.db2.gz SURFGMQYZFWMQH-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001382143388 1348763540 /nfs/dbraw/zinc/76/35/40/1348763540.db2.gz QWQSPMBYLXDNCN-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1ccc(Cl)c(F)c1 ZINC001382143388 1348763546 /nfs/dbraw/zinc/76/35/46/1348763546.db2.gz QWQSPMBYLXDNCN-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@@H]1C ZINC001382301277 1348855462 /nfs/dbraw/zinc/85/54/62/1348855462.db2.gz FNPIDYBBGQEKQZ-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@H]1C ZINC001382301281 1348855512 /nfs/dbraw/zinc/85/55/12/1348855512.db2.gz FNPIDYBBGQEKQZ-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2sccc2Cl)[C@H]1C ZINC001382301281 1348855517 /nfs/dbraw/zinc/85/55/17/1348855517.db2.gz FNPIDYBBGQEKQZ-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001382591768 1349038249 /nfs/dbraw/zinc/03/82/49/1349038249.db2.gz UTQPZZAUTSNWHS-ABHNRTSZSA-N 1 3 335.467 2.553 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC001382591854 1349040010 /nfs/dbraw/zinc/04/00/10/1349040010.db2.gz VUXZCRZIWRGWRI-UHFFFAOYSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2sccc2Cl)C1 ZINC001382591854 1349040014 /nfs/dbraw/zinc/04/00/14/1349040014.db2.gz VUXZCRZIWRGWRI-UHFFFAOYSA-N 1 3 343.924 2.822 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F)N(C)C ZINC001382598933 1349043524 /nfs/dbraw/zinc/04/35/24/1349043524.db2.gz MIKZZTVVCPDHCF-GOSISDBHSA-N 1 3 335.467 2.528 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)[C@H](C)c1cccc(F)c1 ZINC001394098674 1357468064 /nfs/dbraw/zinc/46/80/64/1357468064.db2.gz ARVONBNMHVDKSN-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccc(CF)cc1 ZINC001394141125 1357524356 /nfs/dbraw/zinc/52/43/56/1357524356.db2.gz YFLARKRWXXWOJO-KRWDZBQOSA-N 1 3 349.494 2.969 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccccc1 ZINC001394174899 1357549916 /nfs/dbraw/zinc/54/99/16/1357549916.db2.gz PMSDTNDWDDUFEE-RBUKOAKNSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1ccncc1CN1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001394209905 1357600651 /nfs/dbraw/zinc/60/06/51/1357600651.db2.gz IDNONBMZMKONCQ-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001394229686 1357620306 /nfs/dbraw/zinc/62/03/06/1357620306.db2.gz QSBOVUPTIRUYIA-IAGOWNOFSA-N 1 3 343.515 2.977 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001394264022 1357649808 /nfs/dbraw/zinc/64/98/08/1357649808.db2.gz NCHRDXZGNDBPFU-JXFKEZNVSA-N 1 3 345.531 2.772 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388642991 1352882367 /nfs/dbraw/zinc/88/23/67/1352882367.db2.gz AIZRZXDVNIBGFJ-MSOLQXFVSA-N 1 3 331.504 2.931 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001388651996 1352892487 /nfs/dbraw/zinc/89/24/87/1352892487.db2.gz GZABIATWJZQDFC-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001388651996 1352892489 /nfs/dbraw/zinc/89/24/89/1352892489.db2.gz GZABIATWJZQDFC-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001388687481 1352921120 /nfs/dbraw/zinc/92/11/20/1352921120.db2.gz MVGMWELUXFZPML-MLYOOKFZSA-N 1 3 343.515 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001388696915 1352928932 /nfs/dbraw/zinc/92/89/32/1352928932.db2.gz DTYAPMQLXYUVHN-BETUJISGSA-N 1 3 343.924 2.728 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2sccc2Cl)C1 ZINC001388696915 1352928934 /nfs/dbraw/zinc/92/89/34/1352928934.db2.gz DTYAPMQLXYUVHN-BETUJISGSA-N 1 3 343.924 2.728 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001388720544 1352948644 /nfs/dbraw/zinc/94/86/44/1352948644.db2.gz KVTIXLIECKYZBH-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1F ZINC001388723186 1352951166 /nfs/dbraw/zinc/95/11/66/1352951166.db2.gz AWYILEKAOBBXQV-YVSFHVDLSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]C/C=C\c3ccccc3)C2)C1 ZINC001388726505 1352954441 /nfs/dbraw/zinc/95/44/41/1352954441.db2.gz OFDGKZPIDIZZBO-RUWSKYLJSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001388736162 1352963243 /nfs/dbraw/zinc/96/32/43/1352963243.db2.gz RCXSRMSKKOYZQT-BZUAXINKSA-N 1 3 345.478 2.637 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001388737615 1352964305 /nfs/dbraw/zinc/96/43/05/1352964305.db2.gz VKAZAYGBDQAQSY-OBJOEFQTSA-N 1 3 343.924 2.726 20 0 EFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001388768702 1352993484 /nfs/dbraw/zinc/99/34/84/1352993484.db2.gz MLNOBXXPZWGSRN-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001389383000 1353351761 /nfs/dbraw/zinc/35/17/61/1353351761.db2.gz CLYFQLCBHVDZKV-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001389396566 1353364500 /nfs/dbraw/zinc/36/45/00/1353364500.db2.gz GIHNPXQNQDBHTF-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2)C1 ZINC001389396566 1353364507 /nfs/dbraw/zinc/36/45/07/1353364507.db2.gz GIHNPXQNQDBHTF-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001389465059 1353409440 /nfs/dbraw/zinc/40/94/40/1353409440.db2.gz WWTSFVDVYJTCHV-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001389465059 1353409442 /nfs/dbraw/zinc/40/94/42/1353409442.db2.gz WWTSFVDVYJTCHV-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001389667175 1353540799 /nfs/dbraw/zinc/54/07/99/1353540799.db2.gz OLDNOCZAGWGTQF-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1 ZINC001389696033 1353561106 /nfs/dbraw/zinc/56/11/06/1353561106.db2.gz ULVBVTILHNMLLQ-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001389768779 1353610032 /nfs/dbraw/zinc/61/00/32/1353610032.db2.gz WCNJJEPJNZPESC-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001389768779 1353610036 /nfs/dbraw/zinc/61/00/36/1353610036.db2.gz WCNJJEPJNZPESC-ROUUACIJSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001389859475 1353651721 /nfs/dbraw/zinc/65/17/21/1353651721.db2.gz KANJNXZONIWSMF-JQFCIGGWSA-N 1 3 333.451 2.608 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1)N(C)C ZINC001389878746 1353663665 /nfs/dbraw/zinc/66/36/65/1353663665.db2.gz XOGBVCJTNFFUJW-BASLNEPJSA-N 1 3 337.895 2.978 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001389894834 1353673306 /nfs/dbraw/zinc/67/33/06/1353673306.db2.gz GFYGGQQZHBDUPU-LUVWLHFXSA-N 1 3 349.906 2.904 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001390158537 1353873520 /nfs/dbraw/zinc/87/35/20/1353873520.db2.gz OJXVEFXZKAWZPI-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001390163480 1353879765 /nfs/dbraw/zinc/87/97/65/1353879765.db2.gz RBVKXTMPLNGGAS-ZWKOTPCHSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001390163480 1353879769 /nfs/dbraw/zinc/87/97/69/1353879769.db2.gz RBVKXTMPLNGGAS-ZWKOTPCHSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201474 1353919901 /nfs/dbraw/zinc/91/99/01/1353919901.db2.gz UJJXWCZDLFVOPU-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201474 1353919903 /nfs/dbraw/zinc/91/99/03/1353919903.db2.gz UJJXWCZDLFVOPU-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001390263787 1353962310 /nfs/dbraw/zinc/96/23/10/1353962310.db2.gz FVASGTLPBFQTPO-SOAGJPPSSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001390465040 1354100512 /nfs/dbraw/zinc/10/05/12/1354100512.db2.gz DYHGVDGTSATJFV-QFBILLFUSA-N 1 3 333.520 2.991 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001390483784 1354116759 /nfs/dbraw/zinc/11/67/59/1354116759.db2.gz PWMCVQREVKLBDS-XLNAKTSKSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001390483769 1354116936 /nfs/dbraw/zinc/11/69/36/1354116936.db2.gz PWMCVQREVKLBDS-QJWNTBNXSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001390503262 1354130617 /nfs/dbraw/zinc/13/06/17/1354130617.db2.gz CBHPXYHHDHVNKX-DNVCBOLYSA-N 1 3 348.535 2.694 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCC(F)(F)F)C2)c1 ZINC001390575905 1354182731 /nfs/dbraw/zinc/18/27/31/1354182731.db2.gz OTPFWXRBFFRWEF-HNNXBMFYSA-N 1 3 343.393 2.505 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001390600718 1354196822 /nfs/dbraw/zinc/19/68/22/1354196822.db2.gz BJAIPCVFKRYJES-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1)C1CCC1 ZINC001390607403 1354201863 /nfs/dbraw/zinc/20/18/63/1354201863.db2.gz GMPKWOQUJNLNCN-QZTJIDSGSA-N 1 3 347.478 2.827 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001390619938 1354217362 /nfs/dbraw/zinc/21/73/62/1354217362.db2.gz SHBVIJBLVXBEGM-QZTJIDSGSA-N 1 3 329.488 2.688 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001390781968 1354368621 /nfs/dbraw/zinc/36/86/21/1354368621.db2.gz PDMJJBDWACBRHN-SFHVURJKSA-N 1 3 347.478 2.953 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001390823219 1354409863 /nfs/dbraw/zinc/40/98/63/1354409863.db2.gz BYMFFKMYJABOPT-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCc1ccccc1 ZINC001390823917 1354409942 /nfs/dbraw/zinc/40/99/42/1354409942.db2.gz FYMHASWPZTUZIO-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC001390823917 1354409945 /nfs/dbraw/zinc/40/99/45/1354409945.db2.gz FYMHASWPZTUZIO-LJQANCHMSA-N 1 3 331.504 2.540 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001390864571 1354447287 /nfs/dbraw/zinc/44/72/87/1354447287.db2.gz PBKDDPRHBGLXED-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccccc1CC[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001390864571 1354447289 /nfs/dbraw/zinc/44/72/89/1354447289.db2.gz PBKDDPRHBGLXED-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(F)c1 ZINC001390912457 1354511267 /nfs/dbraw/zinc/51/12/67/1354511267.db2.gz YWIHBQMEHGSXFK-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(F)c1 ZINC001390912457 1354511269 /nfs/dbraw/zinc/51/12/69/1354511269.db2.gz YWIHBQMEHGSXFK-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CCc1ccccc1C[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390960953 1354590915 /nfs/dbraw/zinc/59/09/15/1354590915.db2.gz PYMGNBWKGCUZPE-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCc1ccccc1C[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001390960953 1354590921 /nfs/dbraw/zinc/59/09/21/1354590921.db2.gz PYMGNBWKGCUZPE-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC001391010551 1354681113 /nfs/dbraw/zinc/68/11/13/1354681113.db2.gz QRLPRWCICGMGFB-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC001391010551 1354681116 /nfs/dbraw/zinc/68/11/16/1354681116.db2.gz QRLPRWCICGMGFB-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@@H]1CCC[C@H](C)C1 ZINC001391011797 1354683472 /nfs/dbraw/zinc/68/34/72/1354683472.db2.gz YFXATPSGNZSXDH-RDJZCZTQSA-N 1 3 334.508 2.915 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@@H]1CCC[C@H](C)C1 ZINC001391011797 1354683477 /nfs/dbraw/zinc/68/34/77/1354683477.db2.gz YFXATPSGNZSXDH-RDJZCZTQSA-N 1 3 334.508 2.915 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCN1C/C=C\c1ccccc1 ZINC001391057145 1354744252 /nfs/dbraw/zinc/74/42/52/1354744252.db2.gz BMJRZUKDVHHIDP-PVABEOQZSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001391062253 1354751327 /nfs/dbraw/zinc/75/13/27/1354751327.db2.gz MGJKYPMFEORTIM-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391069178 1354759542 /nfs/dbraw/zinc/75/95/42/1354759542.db2.gz LGKLEYFHYNJJFN-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001391069178 1354759545 /nfs/dbraw/zinc/75/95/45/1354759545.db2.gz LGKLEYFHYNJJFN-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391109022 1354805827 /nfs/dbraw/zinc/80/58/27/1354805827.db2.gz IVIJURWYISEAEG-LPHOPBHVSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391109022 1354805830 /nfs/dbraw/zinc/80/58/30/1354805830.db2.gz IVIJURWYISEAEG-LPHOPBHVSA-N 1 3 349.494 2.658 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001391116196 1354816789 /nfs/dbraw/zinc/81/67/89/1354816789.db2.gz WLQWZSQQEWHSNY-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001391116196 1354816793 /nfs/dbraw/zinc/81/67/93/1354816793.db2.gz WLQWZSQQEWHSNY-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391116211 1354818542 /nfs/dbraw/zinc/81/85/42/1354818542.db2.gz WLQWZSQQEWHSNY-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001391116211 1354818547 /nfs/dbraw/zinc/81/85/47/1354818547.db2.gz WLQWZSQQEWHSNY-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CCc1ccccc1CN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001391161719 1354886117 /nfs/dbraw/zinc/88/61/17/1354886117.db2.gz UBHGWWMOAAZVCZ-OXQOHEQNSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001391161719 1354886120 /nfs/dbraw/zinc/88/61/20/1354886120.db2.gz UBHGWWMOAAZVCZ-OXQOHEQNSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001391200401 1354928744 /nfs/dbraw/zinc/92/87/44/1354928744.db2.gz VBQSYAYYALPJAR-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391200401 1354928749 /nfs/dbraw/zinc/92/87/49/1354928749.db2.gz VBQSYAYYALPJAR-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001391200400 1354928988 /nfs/dbraw/zinc/92/89/88/1354928988.db2.gz VBQSYAYYALPJAR-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391200400 1354928992 /nfs/dbraw/zinc/92/89/92/1354928992.db2.gz VBQSYAYYALPJAR-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001391201706 1354930035 /nfs/dbraw/zinc/93/00/35/1354930035.db2.gz STMSUXDAEBJONZ-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001391201706 1354930039 /nfs/dbraw/zinc/93/00/39/1354930039.db2.gz STMSUXDAEBJONZ-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC001391214986 1354939143 /nfs/dbraw/zinc/93/91/43/1354939143.db2.gz JLXCWAFDPMSWIH-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H](NCCN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001391223517 1354945936 /nfs/dbraw/zinc/94/59/36/1354945936.db2.gz GREMOJYHJSHVJW-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001391227001 1354949606 /nfs/dbraw/zinc/94/96/06/1354949606.db2.gz PYOBFLRFOIIRLD-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001391227001 1354949610 /nfs/dbraw/zinc/94/96/10/1354949610.db2.gz PYOBFLRFOIIRLD-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001391227982 1354950352 /nfs/dbraw/zinc/95/03/52/1354950352.db2.gz NXPLZZAOTAQHMB-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001391314151 1355060446 /nfs/dbraw/zinc/06/04/46/1355060446.db2.gz DAJZSOKIPVMIRG-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1)N(C)C ZINC001391314151 1355060449 /nfs/dbraw/zinc/06/04/49/1355060449.db2.gz DAJZSOKIPVMIRG-MOPGFXCFSA-N 1 3 331.504 2.663 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](CCc2cccs2)C1)C1CCC1 ZINC001391316328 1355063251 /nfs/dbraw/zinc/06/32/51/1355063251.db2.gz ZTLUONHCVVREEG-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](CCc2cccs2)C1)C1CCC1 ZINC001391316328 1355063257 /nfs/dbraw/zinc/06/32/57/1355063257.db2.gz ZTLUONHCVVREEG-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001391324512 1355076580 /nfs/dbraw/zinc/07/65/80/1355076580.db2.gz NMLZEQXXBKDSIH-LJQANCHMSA-N 1 3 345.531 2.993 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(C)(C)C ZINC001391324512 1355076586 /nfs/dbraw/zinc/07/65/86/1355076586.db2.gz NMLZEQXXBKDSIH-LJQANCHMSA-N 1 3 345.531 2.993 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001391350074 1355109066 /nfs/dbraw/zinc/10/90/66/1355109066.db2.gz CNZAMSPDCPMJOB-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001391350074 1355109068 /nfs/dbraw/zinc/10/90/68/1355109068.db2.gz CNZAMSPDCPMJOB-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)C/C=C\Cl)C2)CC1 ZINC001391351257 1355111615 /nfs/dbraw/zinc/11/16/15/1355111615.db2.gz JJQNVLXJAJNYCT-FAOGRTBUSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CCF)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001391362358 1355127290 /nfs/dbraw/zinc/12/72/90/1355127290.db2.gz VQNMZXSCVXMQJP-UHFFFAOYSA-N 1 3 335.467 2.502 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCCN(Cc2ccccc2C2CC2)C1 ZINC001391401890 1355172331 /nfs/dbraw/zinc/17/23/31/1355172331.db2.gz UNTRDDSMKXWKNB-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CCc1ccccc1CN1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001391524074 1355274240 /nfs/dbraw/zinc/27/42/40/1355274240.db2.gz LYKBLYVDJNZFMT-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001391553474 1355300945 /nfs/dbraw/zinc/30/09/45/1355300945.db2.gz NWQQNVLAGRWRMP-RIZQAGQYSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001391553474 1355300949 /nfs/dbraw/zinc/30/09/49/1355300949.db2.gz NWQQNVLAGRWRMP-RIZQAGQYSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001391592138 1355332118 /nfs/dbraw/zinc/33/21/18/1355332118.db2.gz IBADHBRJDJARSI-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001391733068 1355477599 /nfs/dbraw/zinc/47/75/99/1355477599.db2.gz BKXVTPWZVDJGJV-OALUTQOASA-N 1 3 333.520 2.874 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001399954258 1361606270 /nfs/dbraw/zinc/60/62/70/1361606270.db2.gz WXJXYZOUQIIFBW-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001399954258 1361606272 /nfs/dbraw/zinc/60/62/72/1361606272.db2.gz WXJXYZOUQIIFBW-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001391801327 1355543799 /nfs/dbraw/zinc/54/37/99/1355543799.db2.gz YAKUEWZYOZNMMR-ICSRJNTNSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cccc(C)c2)CCCC1)N(C)C ZINC001392020179 1355720297 /nfs/dbraw/zinc/72/02/97/1355720297.db2.gz FJKMLXDSMYNHLS-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC001392136575 1355795006 /nfs/dbraw/zinc/79/50/06/1355795006.db2.gz WKCBXTKTBMUZRA-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1)N(C)C ZINC001392196474 1355852513 /nfs/dbraw/zinc/85/25/13/1355852513.db2.gz RXDBUVQGXVKTEH-VGZDNEPHSA-N 1 3 329.916 2.640 20 0 EFADHO Cc1cccc(CN(C)CCN(C)C(=O)CC[NH+]2CCCCC2)c1 ZINC001392339802 1356008036 /nfs/dbraw/zinc/00/80/36/1356008036.db2.gz WLQPIZNHQFGREK-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1C ZINC001401117498 1362454933 /nfs/dbraw/zinc/45/49/33/1362454933.db2.gz HZWQHFWVFANVEC-KXBFYZLASA-N 1 3 349.494 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC001392600645 1356151107 /nfs/dbraw/zinc/15/11/07/1356151107.db2.gz FXIFDPQPZAPHMV-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCc1cc(Cl)cc(Cl)c1 ZINC001392600645 1356151110 /nfs/dbraw/zinc/15/11/10/1356151110.db2.gz FXIFDPQPZAPHMV-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001392600393 1356151065 /nfs/dbraw/zinc/15/10/65/1356151065.db2.gz SDKZWGUDTRMMFG-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001392610784 1356158589 /nfs/dbraw/zinc/15/85/89/1356158589.db2.gz VBQQNYVGYUOJQN-QWHCGFSZSA-N 1 3 343.874 2.976 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001392657423 1356203358 /nfs/dbraw/zinc/20/33/58/1356203358.db2.gz AHZCYHTZCONRSF-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1C ZINC001392657423 1356203361 /nfs/dbraw/zinc/20/33/61/1356203361.db2.gz AHZCYHTZCONRSF-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660376 1356207302 /nfs/dbraw/zinc/20/73/02/1356207302.db2.gz LOPDJAWHRTUZTP-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660376 1356207305 /nfs/dbraw/zinc/20/73/05/1356207305.db2.gz LOPDJAWHRTUZTP-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO COc1cccc(CN(C)C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001392731100 1356290228 /nfs/dbraw/zinc/29/02/28/1356290228.db2.gz RFRKYVCXZCFRFO-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cs1 ZINC001392789749 1356328664 /nfs/dbraw/zinc/32/86/64/1356328664.db2.gz UKHSJLQGVXRENW-IAGOWNOFSA-N 1 3 337.533 2.627 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001401649764 1362999381 /nfs/dbraw/zinc/99/93/81/1362999381.db2.gz YREDFFTWMALTAX-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H](C)N3CCCCCC3)CC2)c1 ZINC001392942278 1356451611 /nfs/dbraw/zinc/45/16/11/1356451611.db2.gz OUWJVKUAXCJXNP-SFHVURJKSA-N 1 3 343.515 2.998 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1 ZINC001392972962 1356479550 /nfs/dbraw/zinc/47/95/50/1356479550.db2.gz UHHCSHDXCZHEAY-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1 ZINC001392972962 1356479552 /nfs/dbraw/zinc/47/95/52/1356479552.db2.gz UHHCSHDXCZHEAY-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001393154126 1356659242 /nfs/dbraw/zinc/65/92/42/1356659242.db2.gz BOHFOSNAMZMVIS-HXUWFJFHSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393175206 1356680851 /nfs/dbraw/zinc/68/08/51/1356680851.db2.gz WTUDLAVVKXQJSJ-GEZBDVBVSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393175206 1356680855 /nfs/dbraw/zinc/68/08/55/1356680855.db2.gz WTUDLAVVKXQJSJ-GEZBDVBVSA-N 1 3 341.927 2.830 20 0 EFADHO CC[C@H](C(=O)NCC1(C)CC[NH+](Cc2ccccc2F)CC1)N(C)C ZINC001393184752 1356692254 /nfs/dbraw/zinc/69/22/54/1356692254.db2.gz JJTDXBMUJUDJEL-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC(C)C)C2)N(C)C ZINC001394354411 1357729247 /nfs/dbraw/zinc/72/92/47/1357729247.db2.gz WYNJZAOHYIDSJD-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC(C)C)C2)N(C)C ZINC001394354411 1357729255 /nfs/dbraw/zinc/72/92/55/1357729255.db2.gz WYNJZAOHYIDSJD-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001393522034 1356916742 /nfs/dbraw/zinc/91/67/42/1356916742.db2.gz BTRQFMQOUQXQNN-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N1CCCCC1 ZINC001393540582 1356932538 /nfs/dbraw/zinc/93/25/38/1356932538.db2.gz HVSOGUUJDCCSOL-UHFFFAOYSA-N 1 3 349.441 2.832 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001393594622 1356974882 /nfs/dbraw/zinc/97/48/82/1356974882.db2.gz CQQOFZYIPTWSIA-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001393594622 1356974887 /nfs/dbraw/zinc/97/48/87/1356974887.db2.gz CQQOFZYIPTWSIA-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)cc1F ZINC001393596739 1356979130 /nfs/dbraw/zinc/97/91/30/1356979130.db2.gz PXQYRAWZOPWDOZ-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001393602423 1356989867 /nfs/dbraw/zinc/98/98/67/1356989867.db2.gz PFTHSNFGPVROLD-XBMZPMPPSA-N 1 3 341.927 2.976 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(Cl)c1)N(C)C ZINC001393622158 1357012506 /nfs/dbraw/zinc/01/25/06/1357012506.db2.gz ZRQVHPDFKSJMBX-QGZVFWFLSA-N 1 3 339.911 2.961 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(Cl)c1)N(C)C ZINC001393622158 1357012510 /nfs/dbraw/zinc/01/25/10/1357012510.db2.gz ZRQVHPDFKSJMBX-QGZVFWFLSA-N 1 3 339.911 2.961 20 0 EFADHO C[N@H+](C/C=C/c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394391873 1357764890 /nfs/dbraw/zinc/76/48/90/1357764890.db2.gz UASSODDOQIGFBR-VMPITWQZSA-N 1 3 338.455 2.588 20 0 EFADHO C[N@@H+](C/C=C/c1ccccc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001394391873 1357764895 /nfs/dbraw/zinc/76/48/95/1357764895.db2.gz UASSODDOQIGFBR-VMPITWQZSA-N 1 3 338.455 2.588 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001394422982 1357800341 /nfs/dbraw/zinc/80/03/41/1357800341.db2.gz KXDPFAUOMPDWGW-OALUTQOASA-N 1 3 349.494 2.739 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1cc2ccccc2o1)[NH+](C)C ZINC001394487919 1357869210 /nfs/dbraw/zinc/86/92/10/1357869210.db2.gz CCSVNDALFJSIGU-BEFAXECRSA-N 1 3 345.487 2.956 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001394495292 1357877318 /nfs/dbraw/zinc/87/73/18/1357877318.db2.gz KBUZYPXBOXZYEM-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccc(CF)cc2)C2CC2)CCC1 ZINC001436791339 1387298870 /nfs/dbraw/zinc/29/88/70/1387298870.db2.gz MSSBTDBELUMESU-SFHVURJKSA-N 1 3 347.478 2.625 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001394666175 1357984676 /nfs/dbraw/zinc/98/46/76/1357984676.db2.gz FQIUKOMAKNEDRK-WBVHZDCISA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@@H]1C ZINC001394666173 1357984933 /nfs/dbraw/zinc/98/49/33/1357984933.db2.gz FQIUKOMAKNEDRK-RDJZCZTQSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001394708056 1358034614 /nfs/dbraw/zinc/03/46/14/1358034614.db2.gz QNYBROZOMOFKNK-PKOBYXMFSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1C)C(C)(C)C)N(C)C ZINC001394828778 1358128272 /nfs/dbraw/zinc/12/82/72/1358128272.db2.gz GROFBTCMLGQPHY-ROUUACIJSA-N 1 3 333.520 2.956 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001394852852 1358158746 /nfs/dbraw/zinc/15/87/46/1358158746.db2.gz GBJXFTKHRUJBKA-UHFFFAOYSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1 ZINC001394852856 1358159276 /nfs/dbraw/zinc/15/92/76/1358159276.db2.gz GEVLSMASQPRZEX-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO CCc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001394863184 1358170977 /nfs/dbraw/zinc/17/09/77/1358170977.db2.gz PBBGOLZZRMXXIK-MHJFOBGBSA-N 1 3 345.531 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001436925411 1387337339 /nfs/dbraw/zinc/33/73/39/1387337339.db2.gz LISZYPOKAQTVHB-QAQDUYKDSA-N 1 3 337.895 2.727 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001437086191 1387398026 /nfs/dbraw/zinc/39/80/26/1387398026.db2.gz AANPSFDLNWIOFB-ACBHZAAOSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)cs1 ZINC001437137579 1387410843 /nfs/dbraw/zinc/41/08/43/1387410843.db2.gz QJFGBEZTDNMPJA-AWEZNQCLSA-N 1 3 337.533 2.915 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001397118402 1359687289 /nfs/dbraw/zinc/68/72/89/1359687289.db2.gz BVSKQNOWVVDKFN-ATZDWAIDSA-N 1 3 331.504 2.574 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001397128764 1359691881 /nfs/dbraw/zinc/69/18/81/1359691881.db2.gz ABAPDULWEZTMLL-YVWKXTFCSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCCC1 ZINC001437139765 1387412198 /nfs/dbraw/zinc/41/21/98/1387412198.db2.gz ZEMAAGXNQFYCOP-INIZCTEOSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001437143549 1387418254 /nfs/dbraw/zinc/41/82/54/1387418254.db2.gz HGPWNPJDLQATCZ-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001441392383 1391280184 /nfs/dbraw/zinc/28/01/84/1391280184.db2.gz GKJGMKWKFDIWKF-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001441392383 1391280186 /nfs/dbraw/zinc/28/01/86/1391280186.db2.gz GKJGMKWKFDIWKF-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001397625357 1360010899 /nfs/dbraw/zinc/01/08/99/1360010899.db2.gz YJURIKDGVFYEPG-HDICACEKSA-N 1 3 340.471 2.562 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001398244421 1360412454 /nfs/dbraw/zinc/41/24/54/1360412454.db2.gz CDHPKFQEQVXJJJ-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001398244421 1360412457 /nfs/dbraw/zinc/41/24/57/1360412457.db2.gz CDHPKFQEQVXJJJ-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001398358095 1360481496 /nfs/dbraw/zinc/48/14/96/1360481496.db2.gz GYJCGZWAHTZURA-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001398358095 1360481498 /nfs/dbraw/zinc/48/14/98/1360481498.db2.gz GYJCGZWAHTZURA-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001437202317 1387461888 /nfs/dbraw/zinc/46/18/88/1387461888.db2.gz GQSGJFPRHDTJSU-HUUCEWRRSA-N 1 3 337.483 2.959 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001437202320 1387461968 /nfs/dbraw/zinc/46/19/68/1387461968.db2.gz GQSGJFPRHDTJSU-LSDHHAIUSA-N 1 3 337.483 2.959 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001398541842 1360635808 /nfs/dbraw/zinc/63/58/08/1360635808.db2.gz ZWVKJMVAMNIKBN-BZUAXINKSA-N 1 3 339.430 2.701 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)N(C)C)C1)c1ccc(F)cc1 ZINC001398551865 1360640321 /nfs/dbraw/zinc/64/03/21/1360640321.db2.gz HDGLVIYFIAJIMY-XSLAGTTESA-N 1 3 335.467 2.854 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001398551538 1360640537 /nfs/dbraw/zinc/64/05/37/1360640537.db2.gz DPHLAHRPASZMJE-VAMGGRTRSA-N 1 3 345.531 2.615 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001398671353 1360701881 /nfs/dbraw/zinc/70/18/81/1360701881.db2.gz KHAMCJJLOVEDFG-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001398671353 1360701884 /nfs/dbraw/zinc/70/18/84/1360701884.db2.gz KHAMCJJLOVEDFG-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786906 1360790680 /nfs/dbraw/zinc/79/06/80/1360790680.db2.gz CZNXZXLJTKAODB-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786906 1360790685 /nfs/dbraw/zinc/79/06/85/1360790685.db2.gz CZNXZXLJTKAODB-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001398944604 1360886059 /nfs/dbraw/zinc/88/60/59/1360886059.db2.gz WCWFEHGGTFBMCW-SFHVURJKSA-N 1 3 345.531 2.896 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001437238318 1387489972 /nfs/dbraw/zinc/48/99/72/1387489972.db2.gz BKSLJCBVHDIGSK-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCc1c(C)cccc1Cl ZINC001437238318 1387489975 /nfs/dbraw/zinc/48/99/75/1387489975.db2.gz BKSLJCBVHDIGSK-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001399226675 1361084219 /nfs/dbraw/zinc/08/42/19/1361084219.db2.gz BGNPNTBEHCUVTA-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)s2)C1 ZINC001399226675 1361084223 /nfs/dbraw/zinc/08/42/23/1361084223.db2.gz BGNPNTBEHCUVTA-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001399275033 1361116003 /nfs/dbraw/zinc/11/60/03/1361116003.db2.gz ABHSNRRPTYENGR-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H](C)CC(C)C)C1 ZINC001399275033 1361116006 /nfs/dbraw/zinc/11/60/06/1361116006.db2.gz ABHSNRRPTYENGR-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001399325708 1361155483 /nfs/dbraw/zinc/15/54/83/1361155483.db2.gz ZAESKZFDJHVMMY-KRWDZBQOSA-N 1 3 331.504 2.936 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001399342291 1361162050 /nfs/dbraw/zinc/16/20/50/1361162050.db2.gz QZKYLLMTDUNZHB-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001399389079 1361188753 /nfs/dbraw/zinc/18/87/53/1361188753.db2.gz IXJBTNKVVAHJLA-HNNXBMFYSA-N 1 3 337.483 2.788 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001399414922 1361207191 /nfs/dbraw/zinc/20/71/91/1361207191.db2.gz FTLQUPRUDUHZSK-OAHLLOKOSA-N 1 3 328.460 2.562 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001399439579 1361226832 /nfs/dbraw/zinc/22/68/32/1361226832.db2.gz RHWLEJOHZMOERU-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C2CCCC2)cc1 ZINC001399439579 1361226836 /nfs/dbraw/zinc/22/68/36/1361226836.db2.gz RHWLEJOHZMOERU-FQEVSTJZSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399496502 1361279045 /nfs/dbraw/zinc/27/90/45/1361279045.db2.gz VISWDUSOJBZOOR-IBGZPJMESA-N 1 3 333.520 2.944 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001399497028 1361280010 /nfs/dbraw/zinc/28/00/10/1361280010.db2.gz WSMYTPFTQMRBAI-ICSRJNTNSA-N 1 3 345.531 2.741 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC[C@@H]1CCc2ccccc21)N(C)C ZINC001399497028 1361280014 /nfs/dbraw/zinc/28/00/14/1361280014.db2.gz WSMYTPFTQMRBAI-ICSRJNTNSA-N 1 3 345.531 2.741 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)cc2)C1 ZINC001399554186 1361328069 /nfs/dbraw/zinc/32/80/69/1361328069.db2.gz KNLKAXULPJITSH-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccc(C)cc2)C1 ZINC001399554186 1361328075 /nfs/dbraw/zinc/32/80/75/1361328075.db2.gz KNLKAXULPJITSH-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001399576699 1361345498 /nfs/dbraw/zinc/34/54/98/1361345498.db2.gz IKVHWOPFEBUQBG-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001399621909 1361380443 /nfs/dbraw/zinc/38/04/43/1361380443.db2.gz PZZCTLKAKUEVRB-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCC(F)(F)CC1 ZINC001399712139 1361446904 /nfs/dbraw/zinc/44/69/04/1361446904.db2.gz VLHGAOIHLWEOBV-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)CC1CCC(F)(F)CC1 ZINC001399712139 1361446906 /nfs/dbraw/zinc/44/69/06/1361446906.db2.gz VLHGAOIHLWEOBV-UHFFFAOYSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)c1ccc(F)cc1 ZINC001399747030 1361475265 /nfs/dbraw/zinc/47/52/65/1361475265.db2.gz APPVWCRSYVZMCN-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H](C)c1ccc(F)cc1 ZINC001399747030 1361475268 /nfs/dbraw/zinc/47/52/68/1361475268.db2.gz APPVWCRSYVZMCN-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001399752955 1361479089 /nfs/dbraw/zinc/47/90/89/1361479089.db2.gz KFBKHPZFUJQCIT-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cccc(C)c1 ZINC001399766122 1361486706 /nfs/dbraw/zinc/48/67/06/1361486706.db2.gz NQLADOXMTASSNW-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H](C)c1cccc(C)c1 ZINC001399766122 1361486710 /nfs/dbraw/zinc/48/67/10/1361486710.db2.gz NQLADOXMTASSNW-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001399901533 1361562963 /nfs/dbraw/zinc/56/29/63/1361562963.db2.gz KWNDAMSTAVZXJR-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001399901533 1361562965 /nfs/dbraw/zinc/56/29/65/1361562965.db2.gz KWNDAMSTAVZXJR-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909226 1361569077 /nfs/dbraw/zinc/56/90/77/1361569077.db2.gz ICMKJPGUNFREJY-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399909226 1361569082 /nfs/dbraw/zinc/56/90/82/1361569082.db2.gz ICMKJPGUNFREJY-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001399936798 1361592957 /nfs/dbraw/zinc/59/29/57/1361592957.db2.gz YCYCAQICJHUGHL-MRXNPFEDSA-N 1 3 349.906 2.620 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001399959559 1361613474 /nfs/dbraw/zinc/61/34/74/1361613474.db2.gz YFYKVGPMVBFJDA-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001399959559 1361613476 /nfs/dbraw/zinc/61/34/76/1361613476.db2.gz YFYKVGPMVBFJDA-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400026313 1361676835 /nfs/dbraw/zinc/67/68/35/1361676835.db2.gz BBVQAFYNSUOTNT-WMZOPIPTSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400026313 1361676839 /nfs/dbraw/zinc/67/68/39/1361676839.db2.gz BBVQAFYNSUOTNT-WMZOPIPTSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001400028276 1361679521 /nfs/dbraw/zinc/67/95/21/1361679521.db2.gz LHGJVKQNKLJUII-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001400028276 1361679525 /nfs/dbraw/zinc/67/95/25/1361679525.db2.gz LHGJVKQNKLJUII-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001400188838 1361830662 /nfs/dbraw/zinc/83/06/62/1361830662.db2.gz WAHQQIVSGYPNKG-WOJBJXKFSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001400188838 1361830669 /nfs/dbraw/zinc/83/06/69/1361830669.db2.gz WAHQQIVSGYPNKG-WOJBJXKFSA-N 1 3 345.531 2.644 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001400198075 1361838164 /nfs/dbraw/zinc/83/81/64/1361838164.db2.gz ISNSCJZHVMWMHJ-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001400198075 1361838169 /nfs/dbraw/zinc/83/81/69/1361838169.db2.gz ISNSCJZHVMWMHJ-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001400226685 1361860848 /nfs/dbraw/zinc/86/08/48/1361860848.db2.gz ICAFNCGLVSMWOU-WOJBJXKFSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001400226685 1361860850 /nfs/dbraw/zinc/86/08/50/1361860850.db2.gz ICAFNCGLVSMWOU-WOJBJXKFSA-N 1 3 345.531 2.596 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001400247479 1361882917 /nfs/dbraw/zinc/88/29/17/1361882917.db2.gz COPZHZHEBUBJBP-IBGZPJMESA-N 1 3 345.531 2.945 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)CC(C)(C)C ZINC001400247479 1361882921 /nfs/dbraw/zinc/88/29/21/1361882921.db2.gz COPZHZHEBUBJBP-IBGZPJMESA-N 1 3 345.531 2.945 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001400683635 1362092007 /nfs/dbraw/zinc/09/20/07/1362092007.db2.gz CQWIOAXOCMNTKP-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001400683635 1362092010 /nfs/dbraw/zinc/09/20/10/1362092010.db2.gz CQWIOAXOCMNTKP-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400701173 1362105726 /nfs/dbraw/zinc/10/57/26/1362105726.db2.gz AHDDUTLPLQFTLN-SJLPKXTDSA-N 1 3 329.488 2.622 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)c(F)c1 ZINC001400815041 1362180827 /nfs/dbraw/zinc/18/08/27/1362180827.db2.gz RWHMFKSDVMISON-INIZCTEOSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)c(F)c1 ZINC001400815047 1362180939 /nfs/dbraw/zinc/18/09/39/1362180939.db2.gz RWHMFKSDVMISON-MRXNPFEDSA-N 1 3 335.467 2.603 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001400857673 1362215843 /nfs/dbraw/zinc/21/58/43/1362215843.db2.gz HCDSMOVCEDJFNM-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2(CNCc3ccccc3F)CCCC2)CC1 ZINC001400953326 1362293487 /nfs/dbraw/zinc/29/34/87/1362293487.db2.gz LSJLNBNQWKVXKY-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1cc(C[NH2+]CC2(NC(=O)CN3CC[C@@H](C)C3)CCCC2)cs1 ZINC001400957108 1362296911 /nfs/dbraw/zinc/29/69/11/1362296911.db2.gz OFQORIFXXYPPOZ-OAHLLOKOSA-N 1 3 349.544 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1sccc1Cl ZINC001401090590 1362433374 /nfs/dbraw/zinc/43/33/74/1362433374.db2.gz NOOMGLVXLXSMMA-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001401113633 1362450886 /nfs/dbraw/zinc/45/08/86/1362450886.db2.gz JJHNXCQIWLPLEU-HNNXBMFYSA-N 1 3 331.504 2.630 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cc2ccccc2o1 ZINC001401133990 1362471354 /nfs/dbraw/zinc/47/13/54/1362471354.db2.gz VZOBBSMZWAUDQR-HOTGVXAUSA-N 1 3 343.471 2.617 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001401134967 1362472158 /nfs/dbraw/zinc/47/21/58/1362472158.db2.gz JSAGAIBNCLNRLP-AAEUAGOBSA-N 1 3 331.913 2.584 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CC2)CCCC1)N1CCCCC1 ZINC001401188866 1362527872 /nfs/dbraw/zinc/52/78/72/1362527872.db2.gz CONYTXSZRJNEPO-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001401191364 1362531008 /nfs/dbraw/zinc/53/10/08/1362531008.db2.gz RGHDEZFGPMKFAZ-HOCLYGCPSA-N 1 3 345.478 2.637 20 0 EFADHO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1C ZINC001401249330 1362588466 /nfs/dbraw/zinc/58/84/66/1362588466.db2.gz XUSOOGBDEDKPBA-DNVCBOLYSA-N 1 3 349.519 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001401258461 1362598573 /nfs/dbraw/zinc/59/85/73/1362598573.db2.gz LRJJEQDLCQFIGN-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001401265992 1362606722 /nfs/dbraw/zinc/60/67/22/1362606722.db2.gz YUAYKPMOAMYOKU-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001401288582 1362635008 /nfs/dbraw/zinc/63/50/08/1362635008.db2.gz CPHNOKDQBCWJAE-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CCC3)CC2)C1 ZINC001401304410 1362649663 /nfs/dbraw/zinc/64/96/63/1362649663.db2.gz JDIHVJUDWXBSMS-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CCC3)CC2)C1 ZINC001401304410 1362649666 /nfs/dbraw/zinc/64/96/66/1362649666.db2.gz JDIHVJUDWXBSMS-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CC3CCC3)CC2)C1 ZINC001401304412 1362649906 /nfs/dbraw/zinc/64/99/06/1362649906.db2.gz JDIHVJUDWXBSMS-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CC3CCC3)CC2)C1 ZINC001401304412 1362649912 /nfs/dbraw/zinc/64/99/12/1362649912.db2.gz JDIHVJUDWXBSMS-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO CN(C/C=C\Cl)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001401306863 1362652785 /nfs/dbraw/zinc/65/27/85/1362652785.db2.gz XOYJMDZHJBHXJD-OQFOIZHKSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F)[NH+](C)C ZINC001401369869 1362720896 /nfs/dbraw/zinc/72/08/96/1362720896.db2.gz ZCAWLIBOQAGDJV-OALUTQOASA-N 1 3 349.494 2.789 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001401376963 1362727867 /nfs/dbraw/zinc/72/78/67/1362727867.db2.gz JDDSJXSDZJUZBT-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001401376963 1362727872 /nfs/dbraw/zinc/72/78/72/1362727872.db2.gz JDDSJXSDZJUZBT-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCCN1C ZINC001401378532 1362730005 /nfs/dbraw/zinc/73/00/05/1362730005.db2.gz PNPYQSIYLQWVDU-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)[C@H]1CCCCN1C ZINC001401378532 1362730008 /nfs/dbraw/zinc/73/00/08/1362730008.db2.gz PNPYQSIYLQWVDU-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001437380698 1387594604 /nfs/dbraw/zinc/59/46/04/1387594604.db2.gz MBBNOVYXZBJGPE-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001401492853 1362884939 /nfs/dbraw/zinc/88/49/39/1362884939.db2.gz NUGUNSNRHIWHBG-UYAOXDASSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001401492825 1362885121 /nfs/dbraw/zinc/88/51/21/1362885121.db2.gz NUGUNSNRHIWHBG-ICSRJNTNSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001401588669 1362953212 /nfs/dbraw/zinc/95/32/12/1362953212.db2.gz WZAWOWRGXMYAMP-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001401592966 1362956103 /nfs/dbraw/zinc/95/61/03/1362956103.db2.gz GIXVSAOLDGEBRR-MRXNPFEDSA-N 1 3 347.478 2.953 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)CN1CC[C@@H](C)C1 ZINC001401605445 1362965910 /nfs/dbraw/zinc/96/59/10/1362965910.db2.gz SQFHVWNNQSKFKI-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001401611261 1362971244 /nfs/dbraw/zinc/97/12/44/1362971244.db2.gz WDUCCBJZSDVIMT-STQMWFEESA-N 1 3 332.423 2.645 20 0 EFADHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)C1(N(C)C)CCC1 ZINC001401626294 1362981077 /nfs/dbraw/zinc/98/10/77/1362981077.db2.gz NUMWZAMHFYUWLL-CQSZACIVSA-N 1 3 329.444 2.511 20 0 EFADHO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001401647139 1362996683 /nfs/dbraw/zinc/99/66/83/1362996683.db2.gz JUFXFGRRGIONTG-CYBMUJFWSA-N 1 3 341.446 2.537 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001401663752 1363011299 /nfs/dbraw/zinc/01/12/99/1363011299.db2.gz CZHWQGZWJJUXGD-QGZVFWFLSA-N 1 3 339.483 2.965 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001401705344 1363039620 /nfs/dbraw/zinc/03/96/20/1363039620.db2.gz VEJSLXZSGJGFTG-KFKAGJAMSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001401706842 1363040791 /nfs/dbraw/zinc/04/07/91/1363040791.db2.gz KDOGPWBAQIBYDQ-HNNXBMFYSA-N 1 3 337.483 2.706 20 0 EFADHO C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001401772271 1363109623 /nfs/dbraw/zinc/10/96/23/1363109623.db2.gz BPQDGTYQTHMBJY-KRWDZBQOSA-N 1 3 333.520 2.644 20 0 EFADHO C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)CN(C)CC(C)(C)C ZINC001401772271 1363109633 /nfs/dbraw/zinc/10/96/33/1363109633.db2.gz BPQDGTYQTHMBJY-KRWDZBQOSA-N 1 3 333.520 2.644 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001401772711 1363111113 /nfs/dbraw/zinc/11/11/13/1363111113.db2.gz RYURSJWNRKGJRM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001401772711 1363111116 /nfs/dbraw/zinc/11/11/16/1363111116.db2.gz RYURSJWNRKGJRM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001401781538 1363122368 /nfs/dbraw/zinc/12/23/68/1363122368.db2.gz RCMIMMWCTKUIJA-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001401781538 1363122372 /nfs/dbraw/zinc/12/23/72/1363122372.db2.gz RCMIMMWCTKUIJA-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401787545 1363129297 /nfs/dbraw/zinc/12/92/97/1363129297.db2.gz QPWDNLJHVRQHCY-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800567 1363146734 /nfs/dbraw/zinc/14/67/34/1363146734.db2.gz REJMFAXOGYUDDA-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001401800567 1363146737 /nfs/dbraw/zinc/14/67/37/1363146737.db2.gz REJMFAXOGYUDDA-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401810487 1363160349 /nfs/dbraw/zinc/16/03/49/1363160349.db2.gz ZFOXAINFDHNQPJ-HKUYNNGSSA-N 1 3 333.520 2.889 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1c(C)cc(C)cc1C)N(C)C ZINC001401810487 1363160352 /nfs/dbraw/zinc/16/03/52/1363160352.db2.gz ZFOXAINFDHNQPJ-HKUYNNGSSA-N 1 3 333.520 2.889 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]CC(C)C ZINC001401881016 1363211065 /nfs/dbraw/zinc/21/10/65/1363211065.db2.gz SAIRHQIUBBKASQ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCc2ccc(C)cc2)CC1 ZINC001401950599 1363269335 /nfs/dbraw/zinc/26/93/35/1363269335.db2.gz LBZWHHZQFFKPRY-IBGZPJMESA-N 1 3 343.515 2.650 20 0 EFADHO C[C@@H](NCCF)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001402032634 1363344465 /nfs/dbraw/zinc/34/44/65/1363344465.db2.gz NQDNTGUIAOBMIN-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001402055266 1363363178 /nfs/dbraw/zinc/36/31/78/1363363178.db2.gz GSYNMOSQLMRTOZ-STQMWFEESA-N 1 3 348.318 2.759 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001402081543 1363386116 /nfs/dbraw/zinc/38/61/16/1363386116.db2.gz ZHJQETRODSENSJ-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1 ZINC001402195869 1363503418 /nfs/dbraw/zinc/50/34/18/1363503418.db2.gz WWLLVLJWZKAZQI-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC23CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC001402240717 1363561897 /nfs/dbraw/zinc/56/18/97/1363561897.db2.gz UMRYQWWNJUYWSN-GOSISDBHSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001402371195 1363629753 /nfs/dbraw/zinc/62/97/53/1363629753.db2.gz HAQBFDMYYVINEE-MOPGFXCFSA-N 1 3 331.504 2.566 20 0 EFADHO C[C@H]([NH2+]C/C(Cl)=C/Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001402384951 1363643060 /nfs/dbraw/zinc/64/30/60/1363643060.db2.gz CKWWHJOMLTURNE-UYMCOASYSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001402418071 1363677696 /nfs/dbraw/zinc/67/76/96/1363677696.db2.gz FKLSTGFENOWGKZ-OKZBNKHCSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001402418071 1363677700 /nfs/dbraw/zinc/67/77/00/1363677700.db2.gz FKLSTGFENOWGKZ-OKZBNKHCSA-N 1 3 335.536 2.543 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001402424257 1363683440 /nfs/dbraw/zinc/68/34/40/1363683440.db2.gz PUWFUHZJMKLJLH-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001402424257 1363683442 /nfs/dbraw/zinc/68/34/42/1363683442.db2.gz PUWFUHZJMKLJLH-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC001402460930 1363707886 /nfs/dbraw/zinc/70/78/86/1363707886.db2.gz MLWZPSLYYXNKLC-PBHICJAKSA-N 1 3 337.895 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001402496069 1363739112 /nfs/dbraw/zinc/73/91/12/1363739112.db2.gz SULNSTTZDHTCGW-CAMMJAKZSA-N 1 3 347.478 2.636 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001402505130 1363747557 /nfs/dbraw/zinc/74/75/57/1363747557.db2.gz GAMGMYGKLDNLHD-BRWVUGGUSA-N 1 3 337.895 2.663 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCC1 ZINC001402543160 1363773680 /nfs/dbraw/zinc/77/36/80/1363773680.db2.gz BLOZWHGCMLQALF-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)cc1F ZINC001402581097 1363809868 /nfs/dbraw/zinc/80/98/68/1363809868.db2.gz DZLDRGFVJAQGQQ-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001402601059 1363824698 /nfs/dbraw/zinc/82/46/98/1363824698.db2.gz ANMIODKRDIEALI-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001402601059 1363824702 /nfs/dbraw/zinc/82/47/02/1363824702.db2.gz ANMIODKRDIEALI-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC001402622057 1363847847 /nfs/dbraw/zinc/84/78/47/1363847847.db2.gz SNGHVQGWOZKGBM-HNNXBMFYSA-N 1 3 349.441 2.786 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001402643957 1363876578 /nfs/dbraw/zinc/87/65/78/1363876578.db2.gz MJYQXNZRSZJJCL-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001402643957 1363876581 /nfs/dbraw/zinc/87/65/81/1363876581.db2.gz MJYQXNZRSZJJCL-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(F)cc1CN1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001402662062 1363904576 /nfs/dbraw/zinc/90/45/76/1363904576.db2.gz HIXWYBRSSNWADH-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001402689647 1363938565 /nfs/dbraw/zinc/93/85/65/1363938565.db2.gz GMUDHNKCBJSZCN-LJQANCHMSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(CC)cc2)C1 ZINC001402696236 1363944128 /nfs/dbraw/zinc/94/41/28/1363944128.db2.gz QRVURCDAECNYCW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(CC)cc2)C1 ZINC001402696236 1363944131 /nfs/dbraw/zinc/94/41/31/1363944131.db2.gz QRVURCDAECNYCW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]C/C(Cl)=C\Cl)C2)CCC1 ZINC001402697782 1363945383 /nfs/dbraw/zinc/94/53/83/1363945383.db2.gz ONZOMTBIPRLAMX-OZYJXZHSSA-N 1 3 348.318 2.618 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C2)CCC1 ZINC001402697732 1363945744 /nfs/dbraw/zinc/94/57/44/1363945744.db2.gz ONZOMTBIPRLAMX-FYQHACEVSA-N 1 3 348.318 2.618 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1Cc2ccccc2CN1CC1CC1)[NH+](C)C ZINC001402719434 1363965314 /nfs/dbraw/zinc/96/53/14/1363965314.db2.gz IYOWNTPMDYENNC-WOJBJXKFSA-N 1 3 343.515 2.526 20 0 EFADHO CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001402745784 1363990659 /nfs/dbraw/zinc/99/06/59/1363990659.db2.gz AIKRKIMEAAGDLP-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCc1ccc2c(c1)CN(CCC1CC1)C2 ZINC001402745784 1363990663 /nfs/dbraw/zinc/99/06/63/1363990663.db2.gz AIKRKIMEAAGDLP-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)cc1 ZINC001402786240 1364034027 /nfs/dbraw/zinc/03/40/27/1364034027.db2.gz MQAIHYYGYWPFTO-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC001402813124 1364059435 /nfs/dbraw/zinc/05/94/35/1364059435.db2.gz KLKFZELQYVENRD-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC001402813119 1364059748 /nfs/dbraw/zinc/05/97/48/1364059748.db2.gz KLKFZELQYVENRD-GJZGRUSLSA-N 1 3 349.441 2.784 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001402854127 1364093882 /nfs/dbraw/zinc/09/38/82/1364093882.db2.gz RHJGIDUJXDJCLY-STQMWFEESA-N 1 3 332.423 2.645 20 0 EFADHO CN(CCNC(=O)C(C)(C)[NH+]1CCCCC1)CCc1ccccc1F ZINC001437454648 1387661255 /nfs/dbraw/zinc/66/12/55/1387661255.db2.gz CFRPIXDCVDPICL-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001402923307 1364138389 /nfs/dbraw/zinc/13/83/89/1364138389.db2.gz OPXUIUFTISXLTR-ZWKOTPCHSA-N 1 3 325.541 2.932 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001402923307 1364138393 /nfs/dbraw/zinc/13/83/93/1364138393.db2.gz OPXUIUFTISXLTR-ZWKOTPCHSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001403087817 1364292621 /nfs/dbraw/zinc/29/26/21/1364292621.db2.gz MBTISYIGXCPPBM-ABHNRTSZSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403122706 1364335441 /nfs/dbraw/zinc/33/54/41/1364335441.db2.gz BGCBDIQGVFWFSS-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403122706 1364335444 /nfs/dbraw/zinc/33/54/44/1364335444.db2.gz BGCBDIQGVFWFSS-ZBFHGGJFSA-N 1 3 347.494 2.835 20 0 EFADHO COc1cccc(CN(C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)c1C ZINC001403128785 1364341593 /nfs/dbraw/zinc/34/15/93/1364341593.db2.gz KREAUUDCNNOJGP-BEFAXECRSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)Cc1ccc(Cl)cc1 ZINC001403146299 1364364248 /nfs/dbraw/zinc/36/42/48/1364364248.db2.gz ANHLBICONOAZTM-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)CC/C=C/c2ccccc2)CCC1 ZINC001437473987 1387675651 /nfs/dbraw/zinc/67/56/51/1387675651.db2.gz ZKTHKQFEIKYBDL-KPKJPENVSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC/C=C/c2ccccc2)CCC1 ZINC001437473987 1387675657 /nfs/dbraw/zinc/67/56/57/1387675657.db2.gz ZKTHKQFEIKYBDL-KPKJPENVSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001403241958 1364454981 /nfs/dbraw/zinc/45/49/81/1364454981.db2.gz LSVILBJSSPQTEC-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)[NH2+]CCc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403271412 1364484975 /nfs/dbraw/zinc/48/49/75/1364484975.db2.gz LEMBIXSKIBTQHQ-UHFFFAOYSA-N 1 3 333.520 2.821 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001403319474 1364537161 /nfs/dbraw/zinc/53/71/61/1364537161.db2.gz SQQYMYLCIHXFJZ-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC001403319474 1364537164 /nfs/dbraw/zinc/53/71/64/1364537164.db2.gz SQQYMYLCIHXFJZ-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)cc1C)C1CC1)N(C)C ZINC001403533552 1364736998 /nfs/dbraw/zinc/73/69/98/1364736998.db2.gz RXPQYUFEDQHATM-RBUKOAKNSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001403556276 1364757617 /nfs/dbraw/zinc/75/76/17/1364757617.db2.gz OSBQKEBFJYOQDI-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001403578456 1364780309 /nfs/dbraw/zinc/78/03/09/1364780309.db2.gz JRURNSJIOHCQTL-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001403596543 1364800832 /nfs/dbraw/zinc/80/08/32/1364800832.db2.gz VNMIUXBMFDQRKZ-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001403634875 1364838992 /nfs/dbraw/zinc/83/89/92/1364838992.db2.gz NFNSGFLMGPCDPR-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@H](C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21)[NH+](CC)CC ZINC001403687162 1364864750 /nfs/dbraw/zinc/86/47/50/1364864750.db2.gz XWPPURHFIMSHBI-MOPGFXCFSA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001403702884 1364875547 /nfs/dbraw/zinc/87/55/47/1364875547.db2.gz MCBGBRSBIVESEW-LJQANCHMSA-N 1 3 349.494 2.967 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001403702884 1364875552 /nfs/dbraw/zinc/87/55/52/1364875552.db2.gz MCBGBRSBIVESEW-LJQANCHMSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001403763266 1364911244 /nfs/dbraw/zinc/91/12/44/1364911244.db2.gz QOVAZUMMBOLLOU-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001403754746 1364904755 /nfs/dbraw/zinc/90/47/55/1364904755.db2.gz WBVSWUUCVVCTGG-IBGZPJMESA-N 1 3 333.520 2.746 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001403754746 1364904758 /nfs/dbraw/zinc/90/47/58/1364904758.db2.gz WBVSWUUCVVCTGG-IBGZPJMESA-N 1 3 333.520 2.746 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001403763266 1364911255 /nfs/dbraw/zinc/91/12/55/1364911255.db2.gz QOVAZUMMBOLLOU-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001403813274 1364968928 /nfs/dbraw/zinc/96/89/28/1364968928.db2.gz NORVQXWWZDONIZ-LPHOPBHVSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c1 ZINC001403813883 1364970103 /nfs/dbraw/zinc/97/01/03/1364970103.db2.gz YTCRZUNIAJKTHV-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)Cc1cccc(Cl)c1 ZINC001403857781 1365000136 /nfs/dbraw/zinc/00/01/36/1365000136.db2.gz BNEURUZAXSRXAR-KRWDZBQOSA-N 1 3 339.911 2.864 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001403885599 1365016380 /nfs/dbraw/zinc/01/63/80/1365016380.db2.gz HNPPMKNPUCMRGW-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001403999343 1365152060 /nfs/dbraw/zinc/15/20/60/1365152060.db2.gz CWIQEKDJXSJEAX-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001404011645 1365166022 /nfs/dbraw/zinc/16/60/22/1365166022.db2.gz FALBCMABXATCFU-CTWPCTMYSA-N 1 3 349.494 2.799 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1F ZINC001404036370 1365195419 /nfs/dbraw/zinc/19/54/19/1365195419.db2.gz YOXLXKAMQZYONE-UHFFFAOYSA-N 1 3 344.434 2.606 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068952 1365227075 /nfs/dbraw/zinc/22/70/75/1365227075.db2.gz AWWZDCSLBPSZMO-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068952 1365227081 /nfs/dbraw/zinc/22/70/81/1365227081.db2.gz AWWZDCSLBPSZMO-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001404068882 1365227103 /nfs/dbraw/zinc/22/71/03/1365227103.db2.gz AVEZHMIPEZYTGI-OALUTQOASA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001404068882 1365227107 /nfs/dbraw/zinc/22/71/07/1365227107.db2.gz AVEZHMIPEZYTGI-OALUTQOASA-N 1 3 331.504 2.519 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001404076905 1365236302 /nfs/dbraw/zinc/23/63/02/1365236302.db2.gz WDYZFJWNDKGTAN-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001404081023 1365241411 /nfs/dbraw/zinc/24/14/11/1365241411.db2.gz LLCNMBUTRMLKSR-IBGZPJMESA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001404081023 1365241413 /nfs/dbraw/zinc/24/14/13/1365241413.db2.gz LLCNMBUTRMLKSR-IBGZPJMESA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001404081037 1365241937 /nfs/dbraw/zinc/24/19/37/1365241937.db2.gz LLCNMBUTRMLKSR-LJQANCHMSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001404081037 1365241942 /nfs/dbraw/zinc/24/19/42/1365241942.db2.gz LLCNMBUTRMLKSR-LJQANCHMSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCc2cccc(C)c2)C1)N(C)C ZINC001404086071 1365246532 /nfs/dbraw/zinc/24/65/32/1365246532.db2.gz RLFQRAYMELTSOR-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCc2cccc(C)c2)C1)N(C)C ZINC001404086071 1365246536 /nfs/dbraw/zinc/24/65/36/1365246536.db2.gz RLFQRAYMELTSOR-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)CCc2ccc(C)cc2)C1 ZINC001404597393 1365697238 /nfs/dbraw/zinc/69/72/38/1365697238.db2.gz HQLIUMWHWXRNLO-HXUWFJFHSA-N 1 3 345.531 2.660 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)CCc2ccc(C)cc2)C1 ZINC001404597393 1365697241 /nfs/dbraw/zinc/69/72/41/1365697241.db2.gz HQLIUMWHWXRNLO-HXUWFJFHSA-N 1 3 345.531 2.660 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001404669891 1365753719 /nfs/dbraw/zinc/75/37/19/1365753719.db2.gz FJRZQABUXUMNQI-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001437558201 1387764458 /nfs/dbraw/zinc/76/44/58/1387764458.db2.gz CSKAPSFDNKIXAD-MRXNPFEDSA-N 1 3 349.478 2.756 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001437558201 1387764464 /nfs/dbraw/zinc/76/44/64/1387764464.db2.gz CSKAPSFDNKIXAD-MRXNPFEDSA-N 1 3 349.478 2.756 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001404887926 1365882107 /nfs/dbraw/zinc/88/21/07/1365882107.db2.gz BVJHKARLTGPBDY-IBGZPJMESA-N 1 3 349.494 2.531 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)cc1C ZINC001405332192 1366149463 /nfs/dbraw/zinc/14/94/63/1366149463.db2.gz HOCXDXATAWTWGQ-IRXDYDNUSA-N 1 3 339.911 2.973 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001405351764 1366158163 /nfs/dbraw/zinc/15/81/63/1366158163.db2.gz MVWMCKCSVCOFOA-ZWKOTPCHSA-N 1 3 337.483 2.705 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccc(C)cc2)CC1 ZINC001405525372 1366269670 /nfs/dbraw/zinc/26/96/70/1366269670.db2.gz PNBWYKGFTNMYEE-MXVIHJGJSA-N 1 3 345.531 2.896 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001405543156 1366282085 /nfs/dbraw/zinc/28/20/85/1366282085.db2.gz YOIIHDXXVJXLQI-ULQDDVLXSA-N 1 3 337.533 2.914 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001405788668 1366416486 /nfs/dbraw/zinc/41/64/86/1366416486.db2.gz JGWSPKJSJDTRBK-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1cc(C)ccc1C ZINC001437597643 1387809272 /nfs/dbraw/zinc/80/92/72/1387809272.db2.gz KNAZKLGNFLNYPW-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1cc(C)ccc1C ZINC001437597643 1387809290 /nfs/dbraw/zinc/80/92/90/1387809290.db2.gz KNAZKLGNFLNYPW-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1)N(C)C(=O)[C@H]1CCCN1C ZINC001405802082 1366425599 /nfs/dbraw/zinc/42/55/99/1366425599.db2.gz XXZMJXUOGPIFBS-OXJNMPFZSA-N 1 3 339.483 2.871 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001405818178 1366437023 /nfs/dbraw/zinc/43/70/23/1366437023.db2.gz ADHIISZXNDOYEE-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)CNCc2ccccc2F)CC1 ZINC001405878768 1366486668 /nfs/dbraw/zinc/48/66/68/1366486668.db2.gz JRXQUBQNCYSFSU-MRXNPFEDSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)CNCc2ccccc2F)CC1 ZINC001405878761 1366486807 /nfs/dbraw/zinc/48/68/07/1366486807.db2.gz JRXQUBQNCYSFSU-INIZCTEOSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)CC1CCC(F)(F)CC1)N(C)C ZINC001437601619 1387815196 /nfs/dbraw/zinc/81/51/96/1387815196.db2.gz IVIUQOJOSUGRON-OAHLLOKOSA-N 1 3 333.467 2.590 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)CC1CCC(F)(F)CC1)N(C)C ZINC001437601619 1387815201 /nfs/dbraw/zinc/81/52/01/1387815201.db2.gz IVIUQOJOSUGRON-OAHLLOKOSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001405891694 1366497454 /nfs/dbraw/zinc/49/74/54/1366497454.db2.gz NOGZRRBNONWGNB-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCc2ccc(F)cc21 ZINC001437615663 1387832628 /nfs/dbraw/zinc/83/26/28/1387832628.db2.gz KDUHSPOFXICJFE-GOSISDBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC001405971681 1367029149 /nfs/dbraw/zinc/02/91/49/1367029149.db2.gz MZGLCKUAWFZYHV-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001405971895 1367029457 /nfs/dbraw/zinc/02/94/57/1367029457.db2.gz RWWINWOSXXPCRI-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001405971895 1367029459 /nfs/dbraw/zinc/02/94/59/1367029459.db2.gz RWWINWOSXXPCRI-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001437625146 1387849002 /nfs/dbraw/zinc/84/90/02/1387849002.db2.gz DYKLLDFKCGWKKH-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCc2ccc(F)cc21 ZINC001437625146 1387849013 /nfs/dbraw/zinc/84/90/13/1387849013.db2.gz DYKLLDFKCGWKKH-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(C)C ZINC001406059513 1367160418 /nfs/dbraw/zinc/16/04/18/1367160418.db2.gz DFOIYGDKIGWPGT-OALUTQOASA-N 1 3 349.494 2.885 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)c(C)c1 ZINC001406123707 1367270056 /nfs/dbraw/zinc/27/00/56/1367270056.db2.gz QGMGNSURNQREPU-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO CN(CCN(C)C(=O)C1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC001406154967 1367333391 /nfs/dbraw/zinc/33/33/91/1367333391.db2.gz DHKUFXGBWYHYCQ-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001406190622 1367388991 /nfs/dbraw/zinc/38/89/91/1367388991.db2.gz RCHFAVGFNVMTRW-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(C)cc2)C1 ZINC001406190622 1367389001 /nfs/dbraw/zinc/38/90/01/1367389001.db2.gz RCHFAVGFNVMTRW-VQTJNVASSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001406190631 1367389765 /nfs/dbraw/zinc/38/97/65/1367389765.db2.gz RCHFAVGFNVMTRW-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccc(C)cc2)C1 ZINC001406190631 1367389769 /nfs/dbraw/zinc/38/97/69/1367389769.db2.gz RCHFAVGFNVMTRW-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C ZINC001406206936 1367403671 /nfs/dbraw/zinc/40/36/71/1367403671.db2.gz WIZRMPGDMYLDCC-PKOBYXMFSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@H]([NH2+]CCN(CC)C(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001406334535 1367497890 /nfs/dbraw/zinc/49/78/90/1367497890.db2.gz VLLNJMUTQRXHHF-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001406403964 1367550699 /nfs/dbraw/zinc/55/06/99/1367550699.db2.gz MXZRLPAUHNJGJO-ABAIWWIYSA-N 1 3 346.302 2.928 20 0 EFADHO C[C@@H](CN[C@@H](C)c1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001406511720 1367668625 /nfs/dbraw/zinc/66/86/25/1367668625.db2.gz KRUCQVPTMAVOIE-KBPBESRZSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001406561294 1367728987 /nfs/dbraw/zinc/72/89/87/1367728987.db2.gz MXNROTSBLKZPIN-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001406610589 1367801268 /nfs/dbraw/zinc/80/12/68/1367801268.db2.gz VJCBTBHFMNXSGR-KXBFYZLASA-N 1 3 345.487 2.956 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639146 1367845172 /nfs/dbraw/zinc/84/51/72/1367845172.db2.gz ROBBSKYBOLEEAH-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639146 1367845178 /nfs/dbraw/zinc/84/51/78/1367845178.db2.gz ROBBSKYBOLEEAH-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c(C)s1 ZINC001406652165 1367869975 /nfs/dbraw/zinc/86/99/75/1367869975.db2.gz MSPSDZYXMQVYFT-CYBMUJFWSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001406698967 1367943231 /nfs/dbraw/zinc/94/32/31/1367943231.db2.gz RUEYYZABWHIYKF-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C(F)F)cc1)N(C)C ZINC001406698967 1367943233 /nfs/dbraw/zinc/94/32/33/1367943233.db2.gz RUEYYZABWHIYKF-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001406775446 1368033277 /nfs/dbraw/zinc/03/32/77/1368033277.db2.gz JNWJPUJINSRENJ-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001406780658 1368040910 /nfs/dbraw/zinc/04/09/10/1368040910.db2.gz PNNXWFUCSGRRKX-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO CC[C@H]([NH2+]C[C@H](NC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001406784471 1368047007 /nfs/dbraw/zinc/04/70/07/1368047007.db2.gz JMDPMBMXWHRRDO-HKUYNNGSSA-N 1 3 340.471 2.896 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2(NCc3ccccc3C3CC3)CC2)CC1 ZINC001406953909 1368243391 /nfs/dbraw/zinc/24/33/91/1368243391.db2.gz GBBQQARFOOTDOH-UHFFFAOYSA-N 1 3 341.499 2.644 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCc2ccccc2)CC1 ZINC001406977002 1368269900 /nfs/dbraw/zinc/26/99/00/1368269900.db2.gz NRNRDEOEWHRUGY-IBGZPJMESA-N 1 3 343.515 2.730 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001492957613 1368324391 /nfs/dbraw/zinc/32/43/91/1368324391.db2.gz YMQGJSFZIKTUND-HDMKZQKVSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001492957613 1368324397 /nfs/dbraw/zinc/32/43/97/1368324397.db2.gz YMQGJSFZIKTUND-HDMKZQKVSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1)N(C)C ZINC001407025760 1368342482 /nfs/dbraw/zinc/34/24/82/1368342482.db2.gz XIGLAWAKGZVEIT-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1)N(C)C ZINC001407025760 1368342483 /nfs/dbraw/zinc/34/24/83/1368342483.db2.gz XIGLAWAKGZVEIT-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1C[C@@H](NC/C(Cl)=C/Cl)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001407102969 1368427956 /nfs/dbraw/zinc/42/79/56/1368427956.db2.gz ZCZNQKYWOSVKGV-HSWBZUAGSA-N 1 3 348.318 2.616 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001407112040 1368438918 /nfs/dbraw/zinc/43/89/18/1368438918.db2.gz CICNLZBSTZHFBY-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001407116786 1368444226 /nfs/dbraw/zinc/44/42/26/1368444226.db2.gz DGSZCGUPUULFMJ-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001407123595 1368454054 /nfs/dbraw/zinc/45/40/54/1368454054.db2.gz DPVKTEFAROWOLX-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001407124295 1368455344 /nfs/dbraw/zinc/45/53/44/1368455344.db2.gz UWMGCNGLPJRZFK-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001437689457 1387945320 /nfs/dbraw/zinc/94/53/20/1387945320.db2.gz VVTSKHVKMBUHIW-SSVWKNEZSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC001437689457 1387945324 /nfs/dbraw/zinc/94/53/24/1387945324.db2.gz VVTSKHVKMBUHIW-SSVWKNEZSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001407275567 1368690254 /nfs/dbraw/zinc/69/02/54/1368690254.db2.gz SPDZETUMOOUJAF-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001437726658 1387976397 /nfs/dbraw/zinc/97/63/97/1387976397.db2.gz RIHAOPLXRFMBNM-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H](C)c2ccccc2F)C1 ZINC001437726658 1387976402 /nfs/dbraw/zinc/97/64/02/1387976402.db2.gz RIHAOPLXRFMBNM-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(CF)cc1 ZINC001492965968 1369086021 /nfs/dbraw/zinc/08/60/21/1369086021.db2.gz PBWOPQLWIMGOEM-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(CF)cc1 ZINC001492965968 1369086027 /nfs/dbraw/zinc/08/60/27/1369086027.db2.gz PBWOPQLWIMGOEM-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(CF)cc3)CCC2)CCC1 ZINC001407790060 1369235708 /nfs/dbraw/zinc/23/57/08/1369235708.db2.gz FISDEBHXKMQTIF-UHFFFAOYSA-N 1 3 347.478 2.769 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001437743064 1387995119 /nfs/dbraw/zinc/99/51/19/1387995119.db2.gz UHRRKRQZSFWPKN-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001437743064 1387995124 /nfs/dbraw/zinc/99/51/24/1387995124.db2.gz UHRRKRQZSFWPKN-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001407918088 1369396554 /nfs/dbraw/zinc/39/65/54/1369396554.db2.gz IMLYBDKNMIFZCZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001407918088 1369396559 /nfs/dbraw/zinc/39/65/59/1369396559.db2.gz IMLYBDKNMIFZCZ-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001407927761 1369414849 /nfs/dbraw/zinc/41/48/49/1369414849.db2.gz ZGHPKOYRJPPOLF-QGZVFWFLSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001407927761 1369414851 /nfs/dbraw/zinc/41/48/51/1369414851.db2.gz ZGHPKOYRJPPOLF-QGZVFWFLSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCc1cc2ccccc2o1 ZINC001408099573 1369606458 /nfs/dbraw/zinc/60/64/58/1369606458.db2.gz SJPZBPQPMWOEHE-MAUKXSAKSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001408103395 1369610273 /nfs/dbraw/zinc/61/02/73/1369610273.db2.gz YRWJAKZGSUARRN-YJBOKZPZSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001408111144 1369616120 /nfs/dbraw/zinc/61/61/20/1369616120.db2.gz XNRIOAKNCDXHSM-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001408111150 1369617622 /nfs/dbraw/zinc/61/76/22/1369617622.db2.gz XNRIOAKNCDXHSM-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001408163342 1369665604 /nfs/dbraw/zinc/66/56/04/1369665604.db2.gz AHNNUBHMOHBPJN-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)[C@H](C)C1 ZINC001408163342 1369665608 /nfs/dbraw/zinc/66/56/08/1369665608.db2.gz AHNNUBHMOHBPJN-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001408248055 1369749966 /nfs/dbraw/zinc/74/99/66/1369749966.db2.gz AMJYHFCLLPKMQK-INIZCTEOSA-N 1 3 342.487 2.870 20 0 EFADHO C[N@H+](CCCc1ccsc1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408354868 1369865624 /nfs/dbraw/zinc/86/56/24/1369865624.db2.gz KPWKDRJWWFUIOZ-KRWDZBQOSA-N 1 3 346.500 2.569 20 0 EFADHO C[N@@H+](CCCc1ccsc1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001408354868 1369865630 /nfs/dbraw/zinc/86/56/30/1369865630.db2.gz KPWKDRJWWFUIOZ-KRWDZBQOSA-N 1 3 346.500 2.569 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001437785252 1388065667 /nfs/dbraw/zinc/06/56/67/1388065667.db2.gz QKMMEMDEDQKZEU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(Cc1cccc(C)c1)C1CC1 ZINC001437785252 1388065677 /nfs/dbraw/zinc/06/56/77/1388065677.db2.gz QKMMEMDEDQKZEU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001414531937 1370405403 /nfs/dbraw/zinc/40/54/03/1370405403.db2.gz OLTMGYPXMHWINE-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690800 1370592237 /nfs/dbraw/zinc/59/22/37/1370592237.db2.gz YPFGAGQGSZOKTO-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690800 1370592249 /nfs/dbraw/zinc/59/22/49/1370592249.db2.gz YPFGAGQGSZOKTO-RTBURBONSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690797 1370592321 /nfs/dbraw/zinc/59/23/21/1370592321.db2.gz YPFGAGQGSZOKTO-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690797 1370592329 /nfs/dbraw/zinc/59/23/29/1370592329.db2.gz YPFGAGQGSZOKTO-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(Cc2cccc(Cl)c2)C2CC2)C1 ZINC001437808228 1388097611 /nfs/dbraw/zinc/09/76/11/1388097611.db2.gz QVZYBLBPYJCLLS-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(Cc2cccc(Cl)c2)C2CC2)C1 ZINC001437808228 1388097620 /nfs/dbraw/zinc/09/76/20/1388097620.db2.gz QVZYBLBPYJCLLS-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001437810397 1388104554 /nfs/dbraw/zinc/10/45/54/1388104554.db2.gz AWUHAYABXROPEQ-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001437810397 1388104559 /nfs/dbraw/zinc/10/45/59/1388104559.db2.gz AWUHAYABXROPEQ-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO CN(CC[NH2+][C@H]1CCCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001437843750 1388135911 /nfs/dbraw/zinc/13/59/11/1388135911.db2.gz KNNDQEQPEPUQDL-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001437856179 1388144873 /nfs/dbraw/zinc/14/48/73/1388144873.db2.gz VQAKJMJTZKQWKY-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001437860867 1388148540 /nfs/dbraw/zinc/14/85/40/1388148540.db2.gz VVGNUYVKLMTSON-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001437860866 1388148913 /nfs/dbraw/zinc/14/89/13/1388148913.db2.gz VVGNUYVKLMTSON-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CN(C[C@H]1CCN1[C@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001417742772 1373197806 /nfs/dbraw/zinc/19/78/06/1373197806.db2.gz ANHORQXWVCWPGI-QUCCMNQESA-N 1 3 343.515 2.939 20 0 EFADHO CN(C[C@@H]1CCN1[C@H]1CCCc2ccccc21)C(=O)CCC[NH+](C)C ZINC001417742766 1373198114 /nfs/dbraw/zinc/19/81/14/1373198114.db2.gz ANHORQXWVCWPGI-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001417744274 1373200444 /nfs/dbraw/zinc/20/04/44/1373200444.db2.gz NHPUHBQHGONSQF-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001417744274 1373200454 /nfs/dbraw/zinc/20/04/54/1373200454.db2.gz NHPUHBQHGONSQF-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001417949704 1373440495 /nfs/dbraw/zinc/44/04/95/1373440495.db2.gz SFUZYHNNDVYJRC-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001417985091 1373487119 /nfs/dbraw/zinc/48/71/19/1373487119.db2.gz KBTCIFKVFLACIO-KUHUBIRLSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001437953800 1388270926 /nfs/dbraw/zinc/27/09/26/1388270926.db2.gz SKNRHJAZNWXSNL-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001437953800 1388270930 /nfs/dbraw/zinc/27/09/30/1388270930.db2.gz SKNRHJAZNWXSNL-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001418139310 1373665058 /nfs/dbraw/zinc/66/50/58/1373665058.db2.gz RQZRCEGCFAQKTG-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001418139310 1373665062 /nfs/dbraw/zinc/66/50/62/1373665062.db2.gz RQZRCEGCFAQKTG-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001418158368 1373699777 /nfs/dbraw/zinc/69/97/77/1373699777.db2.gz BRRHOOUDKCPHSH-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001418158368 1373699783 /nfs/dbraw/zinc/69/97/83/1373699783.db2.gz BRRHOOUDKCPHSH-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1CCc1ccccc1F ZINC001418158202 1373700555 /nfs/dbraw/zinc/70/05/55/1373700555.db2.gz ALCGYFJTJXCJMO-GOSISDBHSA-N 1 3 349.494 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1CCc1ccccc1F ZINC001418158202 1373700558 /nfs/dbraw/zinc/70/05/58/1373700558.db2.gz ALCGYFJTJXCJMO-GOSISDBHSA-N 1 3 349.494 2.681 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001418180215 1373741631 /nfs/dbraw/zinc/74/16/31/1373741631.db2.gz BKQMVXJXJHHDNO-LFZDHENXSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001418180215 1373741636 /nfs/dbraw/zinc/74/16/36/1373741636.db2.gz BKQMVXJXJHHDNO-LFZDHENXSA-N 1 3 343.515 2.689 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001418236013 1373791670 /nfs/dbraw/zinc/79/16/70/1373791670.db2.gz PAQRUEKHFHXANJ-AEFFLSMTSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001418296153 1373871615 /nfs/dbraw/zinc/87/16/15/1373871615.db2.gz ANUOKUGPNXFUHE-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)NCc1ccccc1F ZINC001418315332 1373895200 /nfs/dbraw/zinc/89/52/00/1373895200.db2.gz XIDHBVFBDHXIIR-OAHLLOKOSA-N 1 3 343.446 2.795 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC001418334808 1373914184 /nfs/dbraw/zinc/91/41/84/1373914184.db2.gz BDUDKLKGQCYSJG-PBHICJAKSA-N 1 3 337.895 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001418350510 1373923378 /nfs/dbraw/zinc/92/33/78/1373923378.db2.gz RGEJAWKZBRXRLK-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001418376837 1373956166 /nfs/dbraw/zinc/95/61/66/1373956166.db2.gz ORRGLINVDSAIBP-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001418376837 1373956171 /nfs/dbraw/zinc/95/61/71/1373956171.db2.gz ORRGLINVDSAIBP-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001418461622 1374051150 /nfs/dbraw/zinc/05/11/50/1374051150.db2.gz ANLFITXTEYRWOT-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001418461622 1374051155 /nfs/dbraw/zinc/05/11/55/1374051155.db2.gz ANLFITXTEYRWOT-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001418463158 1374052772 /nfs/dbraw/zinc/05/27/72/1374052772.db2.gz NAQIIHCJHMRPOL-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H](C)c1ccc(F)cc1 ZINC001418463158 1374052778 /nfs/dbraw/zinc/05/27/78/1374052778.db2.gz NAQIIHCJHMRPOL-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2CC)C1 ZINC001418489857 1374085159 /nfs/dbraw/zinc/08/51/59/1374085159.db2.gz YSWXHFBIFXKBEW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccccc2CC)C1 ZINC001418489857 1374085164 /nfs/dbraw/zinc/08/51/64/1374085164.db2.gz YSWXHFBIFXKBEW-HXUWFJFHSA-N 1 3 345.531 2.919 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001418494590 1374090265 /nfs/dbraw/zinc/09/02/65/1374090265.db2.gz LFHKKLIUCBGCNM-KBXCAEBGSA-N 1 3 349.906 2.717 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCc3c2cccc3Cl)C1 ZINC001418494590 1374090267 /nfs/dbraw/zinc/09/02/67/1374090267.db2.gz LFHKKLIUCBGCNM-KBXCAEBGSA-N 1 3 349.906 2.717 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001418501455 1374100533 /nfs/dbraw/zinc/10/05/33/1374100533.db2.gz HLGBWSQRCRZSMD-LJQANCHMSA-N 1 3 347.503 2.506 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001418501455 1374100534 /nfs/dbraw/zinc/10/05/34/1374100534.db2.gz HLGBWSQRCRZSMD-LJQANCHMSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)c1ccccc1CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001418517326 1374122219 /nfs/dbraw/zinc/12/22/19/1374122219.db2.gz VISWDUSOJBZOOR-LJQANCHMSA-N 1 3 333.520 2.944 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001418550992 1374166175 /nfs/dbraw/zinc/16/61/75/1374166175.db2.gz WLZZNAPHTPJRHC-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001418550992 1374166178 /nfs/dbraw/zinc/16/61/78/1374166178.db2.gz WLZZNAPHTPJRHC-QGZVFWFLSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCc2c1cccc2F ZINC001418568415 1374197243 /nfs/dbraw/zinc/19/72/43/1374197243.db2.gz VMDROAHCUUDBPS-SFHVURJKSA-N 1 3 347.478 2.593 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418587085 1374230083 /nfs/dbraw/zinc/23/00/83/1374230083.db2.gz HDGWUBXRZBLZFT-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001418595358 1374244480 /nfs/dbraw/zinc/24/44/80/1374244480.db2.gz URURSZUGUDNRNB-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418690137 1374371670 /nfs/dbraw/zinc/37/16/70/1374371670.db2.gz NBLOXVKHVMASMI-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001418690137 1374371671 /nfs/dbraw/zinc/37/16/71/1374371671.db2.gz NBLOXVKHVMASMI-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001418690174 1374373114 /nfs/dbraw/zinc/37/31/14/1374373114.db2.gz NHGYLGBWBJIRRF-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001418690174 1374373116 /nfs/dbraw/zinc/37/31/16/1374373116.db2.gz NHGYLGBWBJIRRF-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418796680 1374514301 /nfs/dbraw/zinc/51/43/01/1374514301.db2.gz KHCBMPWUWKFTJZ-HOCLYGCPSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418796680 1374514303 /nfs/dbraw/zinc/51/43/03/1374514303.db2.gz KHCBMPWUWKFTJZ-HOCLYGCPSA-N 1 3 349.906 2.933 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418890046 1374638981 /nfs/dbraw/zinc/63/89/81/1374638981.db2.gz JUVUMDUYQKBPEH-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001418890046 1374638986 /nfs/dbraw/zinc/63/89/86/1374638986.db2.gz JUVUMDUYQKBPEH-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001418905375 1374665805 /nfs/dbraw/zinc/66/58/05/1374665805.db2.gz HKMWVFZWMUMCRF-SFHVURJKSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001418905375 1374665806 /nfs/dbraw/zinc/66/58/06/1374665806.db2.gz HKMWVFZWMUMCRF-SFHVURJKSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001418907706 1374670935 /nfs/dbraw/zinc/67/09/35/1374670935.db2.gz VLFVDFXSUJJCFW-HQOGMNCSSA-N 1 3 341.927 2.688 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001418910697 1374676594 /nfs/dbraw/zinc/67/65/94/1374676594.db2.gz FEZTXJYKMGWMKW-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC001418910697 1374676595 /nfs/dbraw/zinc/67/65/95/1374676595.db2.gz FEZTXJYKMGWMKW-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@H+](C)CC)C1 ZINC001418943585 1374715742 /nfs/dbraw/zinc/71/57/42/1374715742.db2.gz ZQIBCZDFQGZMBA-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)CC[N@@H+](C)CC)C1 ZINC001418943585 1374715744 /nfs/dbraw/zinc/71/57/44/1374715744.db2.gz ZQIBCZDFQGZMBA-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)CC1 ZINC001418945896 1374718960 /nfs/dbraw/zinc/71/89/60/1374718960.db2.gz IANQURDLWBKYSW-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001419044298 1374786780 /nfs/dbraw/zinc/78/67/80/1374786780.db2.gz XDHGJPZIZCFGJS-KRWDZBQOSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001419044298 1374786784 /nfs/dbraw/zinc/78/67/84/1374786784.db2.gz XDHGJPZIZCFGJS-KRWDZBQOSA-N 1 3 331.504 2.836 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)c1 ZINC001419098046 1374841397 /nfs/dbraw/zinc/84/13/97/1374841397.db2.gz ZHMCBBYJFGTBCD-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001419178228 1374926568 /nfs/dbraw/zinc/92/65/68/1374926568.db2.gz GWEGLSAGVMLBLO-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(CC)cc2)C1 ZINC001419178228 1374926570 /nfs/dbraw/zinc/92/65/70/1374926570.db2.gz GWEGLSAGVMLBLO-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001419191060 1374937557 /nfs/dbraw/zinc/93/75/57/1374937557.db2.gz JBTULELBONKGAS-LJQANCHMSA-N 1 3 343.515 2.644 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1ccc(F)cc1C)C1CC1)N(C)C ZINC001419348811 1375144666 /nfs/dbraw/zinc/14/46/66/1375144666.db2.gz XVXSFICRGVIWDK-AZUAARDMSA-N 1 3 349.494 2.849 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001419409635 1375235955 /nfs/dbraw/zinc/23/59/55/1375235955.db2.gz BLZDPAFXUQIANR-WKILWMFISA-N 1 3 335.879 2.561 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001419412683 1375238589 /nfs/dbraw/zinc/23/85/89/1375238589.db2.gz DYTWIIKJBHNVTN-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001419439683 1375276210 /nfs/dbraw/zinc/27/62/10/1375276210.db2.gz QVIJNILZOYXSBS-PILAGYSTSA-N 1 3 335.467 2.710 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001419455088 1375297240 /nfs/dbraw/zinc/29/72/40/1375297240.db2.gz CGWVPXRNBFDGRO-MLHWCBFKSA-N 1 3 327.900 2.582 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001419455088 1375297242 /nfs/dbraw/zinc/29/72/42/1375297242.db2.gz CGWVPXRNBFDGRO-MLHWCBFKSA-N 1 3 327.900 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001419462774 1375306182 /nfs/dbraw/zinc/30/61/82/1375306182.db2.gz NENUUODCWMZPJX-QFBILLFUSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cccc(Cl)c1 ZINC001419467482 1375309906 /nfs/dbraw/zinc/30/99/06/1375309906.db2.gz IJAZREQVFWNLBC-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H](C)c1ccccc1F ZINC001419471024 1375314300 /nfs/dbraw/zinc/31/43/00/1375314300.db2.gz PAQKPEBHWQHBGP-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001419473760 1375317215 /nfs/dbraw/zinc/31/72/15/1375317215.db2.gz LJURSKHTZYBMPG-JXFKEZNVSA-N 1 3 345.531 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001419528499 1375392767 /nfs/dbraw/zinc/39/27/67/1375392767.db2.gz PRHQTBZZICRJHI-KBXCAEBGSA-N 1 3 340.471 2.680 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001419539494 1375415472 /nfs/dbraw/zinc/41/54/72/1375415472.db2.gz AWNSJAATRGWADU-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001419539494 1375415478 /nfs/dbraw/zinc/41/54/78/1375415478.db2.gz AWNSJAATRGWADU-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001419547040 1375429886 /nfs/dbraw/zinc/42/98/86/1375429886.db2.gz UFFYXFJCMTTZDG-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001419547040 1375429888 /nfs/dbraw/zinc/42/98/88/1375429888.db2.gz UFFYXFJCMTTZDG-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419549317 1375434006 /nfs/dbraw/zinc/43/40/06/1375434006.db2.gz XWZDYTOFFIOICC-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419549317 1375434011 /nfs/dbraw/zinc/43/40/11/1375434011.db2.gz XWZDYTOFFIOICC-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCCN(C/C=C/c2ccccc2)C1 ZINC001419554176 1375442072 /nfs/dbraw/zinc/44/20/72/1375442072.db2.gz XNUSGQWFUQLUDZ-OJWOGGGRSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419567521 1375462603 /nfs/dbraw/zinc/46/26/03/1375462603.db2.gz OGUAISWFRZSPQP-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001438155497 1388386476 /nfs/dbraw/zinc/38/64/76/1388386476.db2.gz ACEKWXYABHHXJS-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001438155497 1388386483 /nfs/dbraw/zinc/38/64/83/1388386483.db2.gz ACEKWXYABHHXJS-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001419663622 1375662544 /nfs/dbraw/zinc/66/25/44/1375662544.db2.gz YEAGCMZDRKPLGX-LFDJNIOPSA-N 1 3 347.478 2.663 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)N(C)C ZINC001419663622 1375662548 /nfs/dbraw/zinc/66/25/48/1375662548.db2.gz YEAGCMZDRKPLGX-LFDJNIOPSA-N 1 3 347.478 2.663 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001419767976 1375843923 /nfs/dbraw/zinc/84/39/23/1375843923.db2.gz FEEIJRCXAGQKOH-MRXNPFEDSA-N 1 3 331.504 2.889 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001438208033 1388414206 /nfs/dbraw/zinc/41/42/06/1388414206.db2.gz UTBZRNLGLFVPPS-QRQLOZEOSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001438208033 1388414211 /nfs/dbraw/zinc/41/42/11/1388414211.db2.gz UTBZRNLGLFVPPS-QRQLOZEOSA-N 1 3 331.504 2.833 20 0 EFADHO CC(C)[C@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CCC1 ZINC001419930422 1376146221 /nfs/dbraw/zinc/14/62/21/1376146221.db2.gz DEYBKMMBWTWUEA-IBGZPJMESA-N 1 3 331.504 2.892 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001419953662 1376182486 /nfs/dbraw/zinc/18/24/86/1376182486.db2.gz NHDLWWXWLBUQMW-MOPGFXCFSA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001419953662 1376182489 /nfs/dbraw/zinc/18/24/89/1376182489.db2.gz NHDLWWXWLBUQMW-MOPGFXCFSA-N 1 3 329.488 2.548 20 0 EFADHO CC(C)Oc1ccccc1CN[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001419965516 1376200871 /nfs/dbraw/zinc/20/08/71/1376200871.db2.gz FPCAMZFBVLORQS-SFHVURJKSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001419968397 1376207166 /nfs/dbraw/zinc/20/71/66/1376207166.db2.gz WIDOLZMBYIETNZ-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001419968397 1376207173 /nfs/dbraw/zinc/20/71/73/1376207173.db2.gz WIDOLZMBYIETNZ-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001419969029 1376207739 /nfs/dbraw/zinc/20/77/39/1376207739.db2.gz ZFJUUVANLAAMNZ-UHFFFAOYSA-N 1 3 345.531 2.986 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001419969029 1376207746 /nfs/dbraw/zinc/20/77/46/1376207746.db2.gz ZFJUUVANLAAMNZ-UHFFFAOYSA-N 1 3 345.531 2.986 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001420001114 1376260612 /nfs/dbraw/zinc/26/06/12/1376260612.db2.gz CXBQYAUPSDDECU-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001420001114 1376260618 /nfs/dbraw/zinc/26/06/18/1376260618.db2.gz CXBQYAUPSDDECU-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)C1 ZINC001420007895 1376270417 /nfs/dbraw/zinc/27/04/17/1376270417.db2.gz XOGBJGWCUQCZKJ-KXBFYZLASA-N 1 3 347.478 2.545 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)C1 ZINC001420007895 1376270424 /nfs/dbraw/zinc/27/04/24/1376270424.db2.gz XOGBJGWCUQCZKJ-KXBFYZLASA-N 1 3 347.478 2.545 20 0 EFADHO CN(CCN(C)[C@H]1CCc2ccc(F)cc21)C(=O)C1(C[NH+](C)C)CC1 ZINC001420015444 1376287088 /nfs/dbraw/zinc/28/70/88/1376287088.db2.gz OWPRXZZXCJUORY-SFHVURJKSA-N 1 3 347.478 2.545 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001420028229 1376315285 /nfs/dbraw/zinc/31/52/85/1376315285.db2.gz LGDLZEVVRLEWFD-MSOLQXFVSA-N 1 3 329.488 2.688 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001420091570 1376446510 /nfs/dbraw/zinc/44/65/10/1376446510.db2.gz BQIMTQSKFNPYPT-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001420221503 1376572149 /nfs/dbraw/zinc/57/21/49/1376572149.db2.gz DUVHHSQKLARKSU-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)CN(C)C1CCC1 ZINC001420298090 1376688431 /nfs/dbraw/zinc/68/84/31/1376688431.db2.gz GVOMGERJYZLYMR-AUUYWEPGSA-N 1 3 347.478 2.782 20 0 EFADHO COc1ccc(CN(C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001420307181 1376702634 /nfs/dbraw/zinc/70/26/34/1376702634.db2.gz JHLQEWKZDARWGK-QGZVFWFLSA-N 1 3 347.503 2.508 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001420364517 1376812046 /nfs/dbraw/zinc/81/20/46/1376812046.db2.gz GTDOPUBEQNVCCX-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)CC2CC[NH+](C)CC2)cs1 ZINC001420498928 1377086036 /nfs/dbraw/zinc/08/60/36/1377086036.db2.gz ISUUTORPPWEICS-SFHVURJKSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1F ZINC001420530486 1377138984 /nfs/dbraw/zinc/13/89/84/1377138984.db2.gz NVOKFKDHKPRBDR-MJGOQNOKSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001420544186 1377163203 /nfs/dbraw/zinc/16/32/03/1377163203.db2.gz MFRNCYPQUGTJLY-MJGOQNOKSA-N 1 3 349.494 2.537 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001420544186 1377163207 /nfs/dbraw/zinc/16/32/07/1377163207.db2.gz MFRNCYPQUGTJLY-MJGOQNOKSA-N 1 3 349.494 2.537 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001420548141 1377170481 /nfs/dbraw/zinc/17/04/81/1377170481.db2.gz ABSNTJPUZLOZDP-QGZVFWFLSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001420548141 1377170486 /nfs/dbraw/zinc/17/04/86/1377170486.db2.gz ABSNTJPUZLOZDP-QGZVFWFLSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001420554572 1377184779 /nfs/dbraw/zinc/18/47/79/1377184779.db2.gz NMCLYPIFNDPGNQ-IAGOWNOFSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001420554572 1377184781 /nfs/dbraw/zinc/18/47/81/1377184781.db2.gz NMCLYPIFNDPGNQ-IAGOWNOFSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001420584970 1377255265 /nfs/dbraw/zinc/25/52/65/1377255265.db2.gz MBLBLEOBQRDLKV-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001420584970 1377255268 /nfs/dbraw/zinc/25/52/68/1377255268.db2.gz MBLBLEOBQRDLKV-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001420593339 1377273178 /nfs/dbraw/zinc/27/31/78/1377273178.db2.gz CVFKUQQFMIEFDA-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001420593339 1377273183 /nfs/dbraw/zinc/27/31/83/1377273183.db2.gz CVFKUQQFMIEFDA-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)c(C)c1 ZINC001420602808 1377298060 /nfs/dbraw/zinc/29/80/60/1377298060.db2.gz AAOINCPWFUVJLL-KRWDZBQOSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C)c(C)c1 ZINC001420602808 1377298067 /nfs/dbraw/zinc/29/80/67/1377298067.db2.gz AAOINCPWFUVJLL-KRWDZBQOSA-N 1 3 345.531 2.973 20 0 EFADHO C[C@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)CCC[NH+](C)C ZINC001420615325 1377328802 /nfs/dbraw/zinc/32/88/02/1377328802.db2.gz RONOQNANANRVFA-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2F)CC(C)(C)C ZINC001420723427 1377568341 /nfs/dbraw/zinc/56/83/41/1377568341.db2.gz HXYODZDTCJWZHY-GOSISDBHSA-N 1 3 349.494 2.839 20 0 EFADHO CC1CC(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)c2ccccc2)C1 ZINC001420779162 1377652879 /nfs/dbraw/zinc/65/28/79/1377652879.db2.gz VFNXROQEEGYQCO-TVPLGVNVSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001420897030 1377854131 /nfs/dbraw/zinc/85/41/31/1377854131.db2.gz UFDXZTUUCPUFNM-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001420897030 1377854134 /nfs/dbraw/zinc/85/41/34/1377854134.db2.gz UFDXZTUUCPUFNM-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(CC)c2)C1 ZINC001420933496 1377902472 /nfs/dbraw/zinc/90/24/72/1377902472.db2.gz UGXVPDNZAMJEOY-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001420933496 1377902473 /nfs/dbraw/zinc/90/24/73/1377902473.db2.gz UGXVPDNZAMJEOY-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420940236 1377913224 /nfs/dbraw/zinc/91/32/24/1377913224.db2.gz ONJWTRKGCUIRGO-MPNRVQBSSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C/Cl)CC1 ZINC001420940236 1377913225 /nfs/dbraw/zinc/91/32/25/1377913225.db2.gz ONJWTRKGCUIRGO-MPNRVQBSSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)cc2)C[C@@H]1C ZINC001421110314 1378140134 /nfs/dbraw/zinc/14/01/34/1378140134.db2.gz UWWZCLPOLJUOKZ-WMZOPIPTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@H](C(=O)NCC1CN(Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001421151232 1378191962 /nfs/dbraw/zinc/19/19/62/1378191962.db2.gz BKVRFHOYJGFTKA-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)NCC1C[NH+](Cc2cccc3ccccc32)C1)N(C)C ZINC001421179720 1378237991 /nfs/dbraw/zinc/23/79/91/1378237991.db2.gz JYOKOZMUHHAIQK-HXUWFJFHSA-N 1 3 339.483 2.728 20 0 EFADHO CC[C@H](C(=O)NCC1(C)CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001421263709 1378373117 /nfs/dbraw/zinc/37/31/17/1378373117.db2.gz GBOGFQKGHWIFLR-LJQANCHMSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2csc(C)c2)C1 ZINC001421264716 1378375839 /nfs/dbraw/zinc/37/58/39/1378375839.db2.gz VLNPTCHPPBGBTO-GOSISDBHSA-N 1 3 337.533 2.727 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001421304288 1378467985 /nfs/dbraw/zinc/46/79/85/1378467985.db2.gz TXXSTHDOLRWHAO-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421345218 1378522109 /nfs/dbraw/zinc/52/21/09/1378522109.db2.gz IHCDZIFEMIWDOX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421345218 1378522114 /nfs/dbraw/zinc/52/21/14/1378522114.db2.gz IHCDZIFEMIWDOX-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421369528 1378552444 /nfs/dbraw/zinc/55/24/44/1378552444.db2.gz LZBMUAOMQUWFSH-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001438406752 1388565741 /nfs/dbraw/zinc/56/57/41/1388565741.db2.gz PKKFVLOETRAUEB-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1(CNCc2ccccc2F)CCCC1 ZINC001438406752 1388565745 /nfs/dbraw/zinc/56/57/45/1388565745.db2.gz PKKFVLOETRAUEB-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2C)CCCC1)N(C)C ZINC001421523095 1378742796 /nfs/dbraw/zinc/74/27/96/1378742796.db2.gz XSHLHANVTVVGAP-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001421525158 1378748346 /nfs/dbraw/zinc/74/83/46/1378748346.db2.gz NYPZQPYQLHECCD-RTBURBONSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001421568857 1378824436 /nfs/dbraw/zinc/82/44/36/1378824436.db2.gz BOXBYMUDEUIUBC-KURKYZTESA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001421568857 1378824438 /nfs/dbraw/zinc/82/44/38/1378824438.db2.gz BOXBYMUDEUIUBC-KURKYZTESA-N 1 3 335.536 2.543 20 0 EFADHO C[C@@H](c1ccccc1F)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001421570195 1378827092 /nfs/dbraw/zinc/82/70/92/1378827092.db2.gz UMPFHZHDOXCMTL-YESZJQIVSA-N 1 3 347.478 2.619 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001421585684 1378850608 /nfs/dbraw/zinc/85/06/08/1378850608.db2.gz LBYIJERNESBSAT-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cccc(C)c1)C1CC1)N(C)C ZINC001438421792 1388580984 /nfs/dbraw/zinc/58/09/84/1388580984.db2.gz PBARSCDTWKZMHL-AZUAARDMSA-N 1 3 331.504 2.710 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC001421668074 1378972939 /nfs/dbraw/zinc/97/29/39/1378972939.db2.gz UEOUSKYKVHAFOK-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO C[C@H](CNC/C(Cl)=C/Cl)CNC(=O)CC[NH+]1CCCCC1 ZINC001421765660 1379102824 /nfs/dbraw/zinc/10/28/24/1379102824.db2.gz JOBWRIAQAUAWBQ-CKXDQPNJSA-N 1 3 336.307 2.523 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCC1 ZINC001421775637 1379120334 /nfs/dbraw/zinc/12/03/34/1379120334.db2.gz GYENZUAHISYFGF-WCLQSUPFSA-N 1 3 327.900 2.630 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](Cc3cccc(C)c3)C2)CC1 ZINC001421848840 1379235580 /nfs/dbraw/zinc/23/55/80/1379235580.db2.gz COAAREMUSWFLDF-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001421868087 1379272283 /nfs/dbraw/zinc/27/22/83/1379272283.db2.gz BWPSIMWSLFSHBK-QGZVFWFLSA-N 1 3 349.494 2.778 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001421868087 1379272288 /nfs/dbraw/zinc/27/22/88/1379272288.db2.gz BWPSIMWSLFSHBK-QGZVFWFLSA-N 1 3 349.494 2.778 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)C1CCC1 ZINC001438440804 1388602789 /nfs/dbraw/zinc/60/27/89/1388602789.db2.gz UJVOSVQKNNPEGJ-QAQDUYKDSA-N 1 3 347.478 2.827 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001421910237 1379339899 /nfs/dbraw/zinc/33/98/99/1379339899.db2.gz QTBDYSXSUMVZRS-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CC[N@H+](C)CC2CCC2)CC1)N(C)C ZINC001422040466 1379529431 /nfs/dbraw/zinc/52/94/31/1379529431.db2.gz MOYWUCFUNJJXJX-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(CC[N@@H+](C)CC2CCC2)CC1)N(C)C ZINC001422040466 1379529434 /nfs/dbraw/zinc/52/94/34/1379529434.db2.gz MOYWUCFUNJJXJX-IBGZPJMESA-N 1 3 337.552 2.933 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@H+](C)CCCF)CC1)CC(C)(C)C ZINC001422042230 1379531021 /nfs/dbraw/zinc/53/10/21/1379531021.db2.gz OGPYXQOKFSRYQU-UHFFFAOYSA-N 1 3 343.531 2.884 20 0 EFADHO CN(CC(=O)N1CCC(CC[N@@H+](C)CCCF)CC1)CC(C)(C)C ZINC001422042230 1379531028 /nfs/dbraw/zinc/53/10/28/1379531028.db2.gz OGPYXQOKFSRYQU-UHFFFAOYSA-N 1 3 343.531 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001422061127 1379558334 /nfs/dbraw/zinc/55/83/34/1379558334.db2.gz YPJQGWKZUFDHSH-HOCLYGCPSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001422150770 1379690675 /nfs/dbraw/zinc/69/06/75/1379690675.db2.gz JGPDOTYMMZKKOZ-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001422159475 1379702044 /nfs/dbraw/zinc/70/20/44/1379702044.db2.gz CGMHKBPTDYQJQT-KKXDTOCCSA-N 1 3 335.467 2.638 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](CC)CCCF)CC1 ZINC001422210241 1379778149 /nfs/dbraw/zinc/77/81/49/1379778149.db2.gz OYSLWVDLGUOSDT-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](CC)CCCF)CC1 ZINC001422210241 1379778152 /nfs/dbraw/zinc/77/81/52/1379778152.db2.gz OYSLWVDLGUOSDT-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422236735 1379830929 /nfs/dbraw/zinc/83/09/29/1379830929.db2.gz MKOAEZNQEQYYLQ-KSSFIOAISA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422236735 1379830931 /nfs/dbraw/zinc/83/09/31/1379830931.db2.gz MKOAEZNQEQYYLQ-KSSFIOAISA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422236730 1379831610 /nfs/dbraw/zinc/83/16/10/1379831610.db2.gz MKOAEZNQEQYYLQ-KDOFPFPSSA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422236730 1379831620 /nfs/dbraw/zinc/83/16/20/1379831620.db2.gz MKOAEZNQEQYYLQ-KDOFPFPSSA-N 1 3 349.906 2.669 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C/c1ccccc1 ZINC001422256775 1379870892 /nfs/dbraw/zinc/87/08/92/1379870892.db2.gz RCZXYYTYTXWTGQ-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C/c1ccccc1 ZINC001422256775 1379870898 /nfs/dbraw/zinc/87/08/98/1379870898.db2.gz RCZXYYTYTXWTGQ-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001422288127 1379898595 /nfs/dbraw/zinc/89/85/95/1379898595.db2.gz WBMCYQPGIJQHQA-RBUKOAKNSA-N 1 3 331.504 2.711 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001438499562 1388641682 /nfs/dbraw/zinc/64/16/82/1388641682.db2.gz OYRFKINCBPRNLY-RDJZCZTQSA-N 1 3 331.504 2.882 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H](C)c1ccccc1F ZINC001438502968 1388643230 /nfs/dbraw/zinc/64/32/30/1388643230.db2.gz YTDFKSSPYYIAEI-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001422441306 1380104896 /nfs/dbraw/zinc/10/48/96/1380104896.db2.gz QCQHIBLBBAVTFJ-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001422460507 1380141021 /nfs/dbraw/zinc/14/10/21/1380141021.db2.gz MTSMIUYXGRESEX-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001422512101 1380229568 /nfs/dbraw/zinc/22/95/68/1380229568.db2.gz SMDWISOTRCAURB-RHSMWYFYSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001422512099 1380229644 /nfs/dbraw/zinc/22/96/44/1380229644.db2.gz SMDWISOTRCAURB-PBHICJAKSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC001422515540 1380235138 /nfs/dbraw/zinc/23/51/38/1380235138.db2.gz IIRHYEKSRVSQLM-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001422515540 1380235142 /nfs/dbraw/zinc/23/51/42/1380235142.db2.gz IIRHYEKSRVSQLM-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422521236 1380246662 /nfs/dbraw/zinc/24/66/62/1380246662.db2.gz FTFBFCLYPRPBCN-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422521236 1380246667 /nfs/dbraw/zinc/24/66/67/1380246667.db2.gz FTFBFCLYPRPBCN-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001422585142 1380368686 /nfs/dbraw/zinc/36/86/86/1380368686.db2.gz IGKYAVCRBIFSME-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001422585142 1380368689 /nfs/dbraw/zinc/36/86/89/1380368689.db2.gz IGKYAVCRBIFSME-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001422589441 1380382800 /nfs/dbraw/zinc/38/28/00/1380382800.db2.gz KEEDHRDPBWXPPD-BEFAXECRSA-N 1 3 345.487 2.956 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)CN(C)C3CCC3)C2)cc1C ZINC001422730310 1380726487 /nfs/dbraw/zinc/72/64/87/1380726487.db2.gz MUGVLRTVOOATJL-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO COCc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC001422731523 1380729059 /nfs/dbraw/zinc/72/90/59/1380729059.db2.gz CVAKSOIHQLZRQN-PMACEKPBSA-N 1 3 332.488 2.691 20 0 EFADHO Cc1cccc([C@H](C)N2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001422732447 1380730632 /nfs/dbraw/zinc/73/06/32/1380730632.db2.gz JZLWQYDWOCRJDT-IRXDYDNUSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001422735917 1380734170 /nfs/dbraw/zinc/73/41/70/1380734170.db2.gz UOGMGOMBBGUQSQ-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cnc(CC(F)(F)F)s1 ZINC001422739141 1380738450 /nfs/dbraw/zinc/73/84/50/1380738450.db2.gz WPYAZAJKVLKIRV-NSHDSACASA-N 1 3 339.427 2.694 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001422752848 1380758204 /nfs/dbraw/zinc/75/82/04/1380758204.db2.gz GLTKLWWBORZJJQ-APWZRJJASA-N 1 3 331.504 2.518 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422754385 1380760983 /nfs/dbraw/zinc/76/09/83/1380760983.db2.gz JSFMRLRXXQEORQ-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)ccc2C)C1 ZINC001422754385 1380760990 /nfs/dbraw/zinc/76/09/90/1380760990.db2.gz JSFMRLRXXQEORQ-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)C/C=C/c1ccccc1)[NH+](C)C ZINC001422823919 1380861648 /nfs/dbraw/zinc/86/16/48/1380861648.db2.gz LKTWNJBRZZVVFW-MFXDBKITSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001422886144 1381005572 /nfs/dbraw/zinc/00/55/72/1381005572.db2.gz NXGMCDAGWSKTOP-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001422913725 1381045742 /nfs/dbraw/zinc/04/57/42/1381045742.db2.gz CELZDYBKTXQXOJ-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC001422928525 1381076304 /nfs/dbraw/zinc/07/63/04/1381076304.db2.gz DJLUKJKCDSKRLK-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(C)c(F)c2)CC1 ZINC001422928525 1381076307 /nfs/dbraw/zinc/07/63/07/1381076307.db2.gz DJLUKJKCDSKRLK-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422933474 1381085306 /nfs/dbraw/zinc/08/53/06/1381085306.db2.gz GYHQHVUMPLHJHZ-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422933474 1381085313 /nfs/dbraw/zinc/08/53/13/1381085313.db2.gz GYHQHVUMPLHJHZ-VWTAQGJOSA-N 1 3 341.927 2.782 20 0 EFADHO CC(C)(C)[C@@]1(C[N@H+](CCO)CCCO)CCN(Cc2ccccc2)C1 ZINC001423037745 1381251560 /nfs/dbraw/zinc/25/15/60/1381251560.db2.gz DFBASKVDHDLOOJ-OAQYLSRUSA-N 1 3 348.531 2.602 20 0 EFADHO CC(C)(C)[C@@]1(C[N@@H+](CCO)CCCO)CCN(Cc2ccccc2)C1 ZINC001423037745 1381251567 /nfs/dbraw/zinc/25/15/67/1381251567.db2.gz DFBASKVDHDLOOJ-OAQYLSRUSA-N 1 3 348.531 2.602 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001423100407 1381347265 /nfs/dbraw/zinc/34/72/65/1381347265.db2.gz CCZSICBNCIMLGN-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438646010 1388716366 /nfs/dbraw/zinc/71/63/66/1388716366.db2.gz BBEJNFKKESOVMK-OAHLLOKOSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1C1CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438648685 1388718169 /nfs/dbraw/zinc/71/81/69/1388718169.db2.gz GNVFCAYMVLMHLB-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001423134429 1381410839 /nfs/dbraw/zinc/41/08/39/1381410839.db2.gz YAAYPPPHSQZDJU-MLGOLLRUSA-N 1 3 341.858 2.510 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438650782 1388719285 /nfs/dbraw/zinc/71/92/85/1388719285.db2.gz KMXAWVKKACHTRI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001438655313 1388721666 /nfs/dbraw/zinc/72/16/66/1388721666.db2.gz VBLMWPLQQLBAOF-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001423166448 1381488328 /nfs/dbraw/zinc/48/83/28/1381488328.db2.gz WHOCCCGYTUPQTF-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001423166450 1381488552 /nfs/dbraw/zinc/48/85/52/1381488552.db2.gz WHOCCCGYTUPQTF-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001438704443 1388749860 /nfs/dbraw/zinc/74/98/60/1388749860.db2.gz COKBGGRYOLDTIZ-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001438707136 1388751973 /nfs/dbraw/zinc/75/19/73/1388751973.db2.gz SHJSXBMPILLICW-CYBMUJFWSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC(C)CC1 ZINC001423474214 1381971426 /nfs/dbraw/zinc/97/14/26/1381971426.db2.gz HEZKFCKWRYDPDF-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001423632199 1382198316 /nfs/dbraw/zinc/19/83/16/1382198316.db2.gz QSYGDRRWBLURMM-UYAOXDASSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001423632151 1382198880 /nfs/dbraw/zinc/19/88/80/1382198880.db2.gz QQRBFSLEHKUQCZ-QUCCMNQESA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)C[C@H](CNCc1ccccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001438731480 1388771528 /nfs/dbraw/zinc/77/15/28/1388771528.db2.gz FRWKRTURIYNELE-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)N1CCCCC1 ZINC001423962004 1382555107 /nfs/dbraw/zinc/55/51/07/1382555107.db2.gz NZODCVXWUFDEBR-BJWYYQGGSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF)N1CCCCC1 ZINC001423962004 1382555112 /nfs/dbraw/zinc/55/51/12/1382555112.db2.gz NZODCVXWUFDEBR-BJWYYQGGSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001423990659 1382601886 /nfs/dbraw/zinc/60/18/86/1382601886.db2.gz MPXCVNABAVCLJK-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC001423990659 1382601889 /nfs/dbraw/zinc/60/18/89/1382601889.db2.gz MPXCVNABAVCLJK-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C(C)C ZINC001438800422 1388824145 /nfs/dbraw/zinc/82/41/45/1388824145.db2.gz DSUHRIVXGVKSSV-GOSISDBHSA-N 1 3 349.494 2.849 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001438810318 1388833571 /nfs/dbraw/zinc/83/35/71/1388833571.db2.gz WFPSPXUJINQIGL-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001424704952 1383277829 /nfs/dbraw/zinc/27/78/29/1383277829.db2.gz WJOMINPIWZVQOE-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001424704952 1383277830 /nfs/dbraw/zinc/27/78/30/1383277830.db2.gz WJOMINPIWZVQOE-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccc([C@@H](C)N2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001425247641 1383562891 /nfs/dbraw/zinc/56/28/91/1383562891.db2.gz CYMRRXNAMWEHMK-DLBZAZTESA-N 1 3 331.504 2.834 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1csc(C)c1)C1CC1)N(C)C ZINC001425489281 1383669467 /nfs/dbraw/zinc/66/94/67/1383669467.db2.gz BTFKIGYYNIIULB-IRXDYDNUSA-N 1 3 337.533 2.723 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001425674396 1383749749 /nfs/dbraw/zinc/74/97/49/1383749749.db2.gz BARPPOJXLDFMCP-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001425683184 1383759570 /nfs/dbraw/zinc/75/95/70/1383759570.db2.gz PZLFFKPJORJKGB-CZUORRHYSA-N 1 3 325.522 2.579 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2CC)C[C@H]1C ZINC001425915811 1383851751 /nfs/dbraw/zinc/85/17/51/1383851751.db2.gz NQIQUORMXQQYPV-XLIONFOSSA-N 1 3 345.531 2.712 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001425969621 1383908286 /nfs/dbraw/zinc/90/82/86/1383908286.db2.gz PPMUZUVTMGDBCH-OALUTQOASA-N 1 3 331.504 2.711 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN(C)C3CCC3)C2)cc1 ZINC001426206046 1384069446 /nfs/dbraw/zinc/06/94/46/1384069446.db2.gz DKVZEFAUSOKCPZ-UHFFFAOYSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001438915189 1388912885 /nfs/dbraw/zinc/91/28/85/1388912885.db2.gz FGYPHDKHWOTATF-INIZCTEOSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001438915189 1388912889 /nfs/dbraw/zinc/91/28/89/1388912889.db2.gz FGYPHDKHWOTATF-INIZCTEOSA-N 1 3 331.504 2.535 20 0 EFADHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438936441 1388937138 /nfs/dbraw/zinc/93/71/38/1388937138.db2.gz HHVDCRWSYDJNJR-SFHVURJKSA-N 1 3 331.504 2.652 20 0 EFADHO CC(C)c1ccccc1CN(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438936441 1388937142 /nfs/dbraw/zinc/93/71/42/1388937142.db2.gz HHVDCRWSYDJNJR-SFHVURJKSA-N 1 3 331.504 2.652 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001438961309 1388953889 /nfs/dbraw/zinc/95/38/89/1388953889.db2.gz LQQDPTHSFICPPB-LRZCHELBSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001438961300 1388954193 /nfs/dbraw/zinc/95/41/93/1388954193.db2.gz LQQDPTHSFICPPB-FWRQMEPDSA-N 1 3 336.307 2.522 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001439142845 1389011658 /nfs/dbraw/zinc/01/16/58/1389011658.db2.gz CBAYNTKCFQHBCI-CJNGLKHVSA-N 1 3 341.446 2.805 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001439156180 1389019092 /nfs/dbraw/zinc/01/90/92/1389019092.db2.gz ZGFLLYYWKFIARN-VCBZYWHSSA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001439156179 1389019421 /nfs/dbraw/zinc/01/94/21/1389019421.db2.gz ZGFLLYYWKFIARN-CLCXKQKWSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001439220084 1389055406 /nfs/dbraw/zinc/05/54/06/1389055406.db2.gz FPCTZNSNTAXLOZ-HOTGVXAUSA-N 1 3 343.515 2.815 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001439256468 1389077225 /nfs/dbraw/zinc/07/72/25/1389077225.db2.gz WNYRHWNHXCFLBF-XEZPLFJOSA-N 1 3 325.884 2.836 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330641 1389149178 /nfs/dbraw/zinc/14/91/78/1389149178.db2.gz JWMVARUAQZAHFA-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330641 1389149182 /nfs/dbraw/zinc/14/91/82/1389149182.db2.gz JWMVARUAQZAHFA-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@H+](C)CC1CCC(F)(F)CC1 ZINC001439399604 1389243402 /nfs/dbraw/zinc/24/34/02/1389243402.db2.gz LIKGNLJCQVSHQJ-LBPRGKRZSA-N 1 3 342.434 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001439399604 1389243411 /nfs/dbraw/zinc/24/34/11/1389243411.db2.gz LIKGNLJCQVSHQJ-LBPRGKRZSA-N 1 3 342.434 2.523 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001439405510 1389255293 /nfs/dbraw/zinc/25/52/93/1389255293.db2.gz JDCPCHOISBNKDP-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1(C)CCN(Cc2cnccc2C)CC1 ZINC001439806226 1389335413 /nfs/dbraw/zinc/33/54/13/1389335413.db2.gz DQXCDWNGEZTASD-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1(C)CCN(Cc2cnccc2C)CC1 ZINC001439806226 1389335417 /nfs/dbraw/zinc/33/54/17/1389335417.db2.gz DQXCDWNGEZTASD-UHFFFAOYSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001439805863 1389335862 /nfs/dbraw/zinc/33/58/62/1389335862.db2.gz SERXQOMBOOOBNJ-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001440106399 1389389337 /nfs/dbraw/zinc/38/93/37/1389389337.db2.gz CDMQJUXMFIZFBR-QWHCGFSZSA-N 1 3 348.318 2.616 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)C1 ZINC001440223833 1389453535 /nfs/dbraw/zinc/45/35/35/1389453535.db2.gz RMDRQOZQKNUAMD-OEYVDSTDSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)C1 ZINC001440223833 1389453540 /nfs/dbraw/zinc/45/35/40/1389453540.db2.gz RMDRQOZQKNUAMD-OEYVDSTDSA-N 1 3 348.318 2.522 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001440257245 1389481537 /nfs/dbraw/zinc/48/15/37/1389481537.db2.gz UNDPFUKHBODVFT-SFHVURJKSA-N 1 3 343.515 2.678 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001440312710 1389524804 /nfs/dbraw/zinc/52/48/04/1389524804.db2.gz LZCVXIYITVFBPW-FZNQNYSPSA-N 1 3 337.895 2.666 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001440312710 1389524807 /nfs/dbraw/zinc/52/48/07/1389524807.db2.gz LZCVXIYITVFBPW-FZNQNYSPSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001440337227 1389544341 /nfs/dbraw/zinc/54/43/41/1389544341.db2.gz DFRACASZGKKHAQ-IIDMSEBBSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1 ZINC001440338207 1389545418 /nfs/dbraw/zinc/54/54/18/1389545418.db2.gz KELLDKNRKTZRSF-AWEZNQCLSA-N 1 3 349.441 2.830 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CC2CCC(F)(F)CC2)CCC1)N(C)C ZINC001440358733 1389563419 /nfs/dbraw/zinc/56/34/19/1389563419.db2.gz SYWMTBUTBXBUCD-HNNXBMFYSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001440362481 1389567735 /nfs/dbraw/zinc/56/77/35/1389567735.db2.gz COBZPECLGUVLAS-YRBFXIGRSA-N 1 3 335.467 2.711 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001440448498 1389646173 /nfs/dbraw/zinc/64/61/73/1389646173.db2.gz UVAUXUWUCLNMLH-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001440448498 1389646178 /nfs/dbraw/zinc/64/61/78/1389646178.db2.gz UVAUXUWUCLNMLH-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001440475887 1389682451 /nfs/dbraw/zinc/68/24/51/1389682451.db2.gz AVLBAGKQPSOTSN-RTBURBONSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001440475887 1389682456 /nfs/dbraw/zinc/68/24/56/1389682456.db2.gz AVLBAGKQPSOTSN-RTBURBONSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001440475884 1389683023 /nfs/dbraw/zinc/68/30/23/1389683023.db2.gz AVLBAGKQPSOTSN-RBUKOAKNSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC001440475884 1389683028 /nfs/dbraw/zinc/68/30/28/1389683028.db2.gz AVLBAGKQPSOTSN-RBUKOAKNSA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001440610608 1389773033 /nfs/dbraw/zinc/77/30/33/1389773033.db2.gz SGEYDIVRXFZQTE-RDJZCZTQSA-N 1 3 325.541 2.837 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001440728398 1389848975 /nfs/dbraw/zinc/84/89/75/1389848975.db2.gz BAZPTWQDAVQSIO-GOSISDBHSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(CN(C)C[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cs1 ZINC001440731745 1389853178 /nfs/dbraw/zinc/85/31/78/1389853178.db2.gz GPBXWRCYPUALBI-QGZVFWFLSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001440738301 1389859937 /nfs/dbraw/zinc/85/99/37/1389859937.db2.gz GLOMUENQUGLWNY-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+](CCCF)C2)CC1 ZINC001440738301 1389859943 /nfs/dbraw/zinc/85/99/43/1389859943.db2.gz GLOMUENQUGLWNY-GOSISDBHSA-N 1 3 341.515 2.638 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930817 1390018681 /nfs/dbraw/zinc/01/86/81/1390018681.db2.gz CLWJCFCXQZBFSM-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930817 1390018685 /nfs/dbraw/zinc/01/86/85/1390018685.db2.gz CLWJCFCXQZBFSM-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCc1ccccc1 ZINC001440983705 1390075850 /nfs/dbraw/zinc/07/58/50/1390075850.db2.gz HIKRHBXADXHYNS-ICSRJNTNSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001441199861 1391176061 /nfs/dbraw/zinc/17/60/61/1391176061.db2.gz DSUQGLZESTUBFP-JXFKEZNVSA-N 1 3 343.515 2.842 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)C1CCC1 ZINC001441383407 1391274716 /nfs/dbraw/zinc/27/47/16/1391274716.db2.gz IHWXDXWCNGDNNY-SHTZXODSSA-N 1 3 335.879 2.561 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001441448247 1391311975 /nfs/dbraw/zinc/31/19/75/1391311975.db2.gz REDPLWMIMNHAQQ-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001441448247 1391311982 /nfs/dbraw/zinc/31/19/82/1391311982.db2.gz REDPLWMIMNHAQQ-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001441624615 1391390378 /nfs/dbraw/zinc/39/03/78/1391390378.db2.gz MDDYAZMGSWCMID-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(F)c(Cl)c1 ZINC001441624615 1391390383 /nfs/dbraw/zinc/39/03/83/1391390383.db2.gz MDDYAZMGSWCMID-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001441737210 1391411928 /nfs/dbraw/zinc/41/19/28/1391411928.db2.gz YOIIHDXXVJXLQI-JCYILVPMSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001441849480 1391423796 /nfs/dbraw/zinc/42/37/96/1391423796.db2.gz MNUALJMCTKOKFB-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C/C=C/c2ccccc2)C[C@@H]1C ZINC001441855886 1391424912 /nfs/dbraw/zinc/42/49/12/1391424912.db2.gz FXYWYLKTPQPZKA-ZNOOQZCJSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]C/C=C/c2ccccc2)C[C@H]1C ZINC001441855868 1391424940 /nfs/dbraw/zinc/42/49/40/1391424940.db2.gz FXYWYLKTPQPZKA-HKSATOIVSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001446625137 1391563857 /nfs/dbraw/zinc/56/38/57/1391563857.db2.gz DDOWTCZLACMWHL-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001447079004 1391692515 /nfs/dbraw/zinc/69/25/15/1391692515.db2.gz KFLIRDMOILDDPI-VQIMIIECSA-N 1 3 340.471 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001447640770 1391723160 /nfs/dbraw/zinc/72/31/60/1391723160.db2.gz UVCIKVLCLGXONK-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2csc(C)c2)[C@H](C)C1 ZINC001447640770 1391723168 /nfs/dbraw/zinc/72/31/68/1391723168.db2.gz UVCIKVLCLGXONK-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)[C@@H]1C ZINC001448023907 1391903348 /nfs/dbraw/zinc/90/33/48/1391903348.db2.gz OULGABUEMWBITC-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N(C)Cc2cccc(F)c2)CC1 ZINC001448112909 1391971437 /nfs/dbraw/zinc/97/14/37/1391971437.db2.gz RWSYJBGXPHSPSO-INIZCTEOSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001448675564 1392163578 /nfs/dbraw/zinc/16/35/78/1392163578.db2.gz HINNNXBOOFDHLA-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001448680745 1392167518 /nfs/dbraw/zinc/16/75/18/1392167518.db2.gz OBLVQGYMFQLBGO-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)CN1C(=O)CN(C)CC(C)(C)C ZINC001449028678 1392218924 /nfs/dbraw/zinc/21/89/24/1392218924.db2.gz NXZVEVMFOQSBRF-ZFWWWQNUSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001507023913 1406605881 /nfs/dbraw/zinc/60/58/81/1406605881.db2.gz JKIKSCDSAWBPOX-LJQANCHMSA-N 1 3 340.471 2.596 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1)N(C)C ZINC001507085423 1406680935 /nfs/dbraw/zinc/68/09/35/1406680935.db2.gz NAKNYCBWGVYHDG-VHCSCNJLSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001507089386 1406687575 /nfs/dbraw/zinc/68/75/75/1406687575.db2.gz MYKSYOXALRYCJX-NLZINVLXSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001507128236 1406742188 /nfs/dbraw/zinc/74/21/88/1406742188.db2.gz TUZWDUGPKYJRPE-SFHVURJKSA-N 1 3 347.547 2.952 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001507145755 1406764421 /nfs/dbraw/zinc/76/44/21/1406764421.db2.gz CDWYCJSEOXPJCA-APWZRJJASA-N 1 3 331.504 2.842 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001460624241 1396238986 /nfs/dbraw/zinc/23/89/86/1396238986.db2.gz ACGYSBMMICOABJ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC001461341685 1396371218 /nfs/dbraw/zinc/37/12/18/1396371218.db2.gz AQTLUFYYFBEGDZ-IRXDYDNUSA-N 1 3 340.414 2.755 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001464632670 1396591699 /nfs/dbraw/zinc/59/16/99/1396591699.db2.gz MIPFAZTXCBGXSF-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001464632670 1396591703 /nfs/dbraw/zinc/59/17/03/1396591703.db2.gz MIPFAZTXCBGXSF-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001507289875 1406854691 /nfs/dbraw/zinc/85/46/91/1406854691.db2.gz VQSYJVDSNQONKQ-IEBWSBKVSA-N 1 3 345.531 2.786 20 0 EFADHO Cc1ccc(C)c(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC001473976364 1397359143 /nfs/dbraw/zinc/35/91/43/1397359143.db2.gz NGTLXHGWLWQSEK-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO Cc1cc(C)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC001473978826 1397360532 /nfs/dbraw/zinc/36/05/32/1397360532.db2.gz GHGITPVASZQIDH-UHFFFAOYSA-N 1 3 331.504 2.644 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472142 1397535516 /nfs/dbraw/zinc/53/55/16/1397535516.db2.gz PTILIWATTHKBAX-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472142 1397535518 /nfs/dbraw/zinc/53/55/18/1397535518.db2.gz PTILIWATTHKBAX-RTBURBONSA-N 1 3 346.519 2.635 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001479294841 1397669846 /nfs/dbraw/zinc/66/98/46/1397669846.db2.gz JIBMWPRKFDAWSX-OWCVQMPJSA-N 1 3 335.536 2.781 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001479313163 1397679066 /nfs/dbraw/zinc/67/90/66/1397679066.db2.gz DHEPQLWWOLUQAF-FZNQNYSPSA-N 1 3 337.895 2.666 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479369303 1397705548 /nfs/dbraw/zinc/70/55/48/1397705548.db2.gz ZOQXHBKVWOTMAM-IHRRRGAJSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001479369303 1397705549 /nfs/dbraw/zinc/70/55/49/1397705549.db2.gz ZOQXHBKVWOTMAM-IHRRRGAJSA-N 1 3 348.318 2.664 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3Cl)C2)CCC1 ZINC001479371499 1397706018 /nfs/dbraw/zinc/70/60/18/1397706018.db2.gz RISINKOFMMLWDN-KOMQPUFPSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001479398218 1397714096 /nfs/dbraw/zinc/71/40/96/1397714096.db2.gz DUBMQPRDMKKIKS-DTDBQYNISA-N 1 3 335.467 2.711 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001479407515 1397716716 /nfs/dbraw/zinc/71/67/16/1397716716.db2.gz COYISYGWEWOBDK-ZHALLVOQSA-N 1 3 331.504 2.882 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001479407021 1397716891 /nfs/dbraw/zinc/71/68/91/1397716891.db2.gz LKJLPPMBGVUTLY-JYJNAYRXSA-N 1 3 335.467 2.713 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](N[C@@H](C)c2ccccc2F)C1 ZINC001479407021 1397716895 /nfs/dbraw/zinc/71/68/95/1397716895.db2.gz LKJLPPMBGVUTLY-JYJNAYRXSA-N 1 3 335.467 2.713 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001479411056 1397718693 /nfs/dbraw/zinc/71/86/93/1397718693.db2.gz VRFNPDLGUMNUKI-RZDIXWSQSA-N 1 3 340.471 2.508 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC1 ZINC001479908748 1398014128 /nfs/dbraw/zinc/01/41/28/1398014128.db2.gz RAOSTKCPHUEZSJ-QGZVFWFLSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479961496 1398047977 /nfs/dbraw/zinc/04/79/77/1398047977.db2.gz IKAHVWJKQSDLRX-SFHVURJKSA-N 1 3 331.504 2.842 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCCc2ccccc2)C1)N(C)C ZINC001479963003 1398048008 /nfs/dbraw/zinc/04/80/08/1398048008.db2.gz JGAMBYDHIAQIMT-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1)N(C)C ZINC001479963003 1398048011 /nfs/dbraw/zinc/04/80/11/1398048011.db2.gz JGAMBYDHIAQIMT-WOJBJXKFSA-N 1 3 345.531 2.786 20 0 EFADHO CN(CC(=O)N[C@H]1CC12CC[NH+](CC1CCC1)CC2)CC(C)(C)C ZINC001479984402 1398068666 /nfs/dbraw/zinc/06/86/66/1398068666.db2.gz CCAGPUABHIADOH-KRWDZBQOSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)(C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)N1CCCCC1 ZINC001480019916 1398096389 /nfs/dbraw/zinc/09/63/89/1398096389.db2.gz BQBHVXVCLYGMGO-LJQANCHMSA-N 1 3 343.515 2.936 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001480084870 1398121017 /nfs/dbraw/zinc/12/10/17/1398121017.db2.gz ONNUWWNZWSOUMZ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1)CC(C)(C)C ZINC001480084870 1398121024 /nfs/dbraw/zinc/12/10/24/1398121024.db2.gz ONNUWWNZWSOUMZ-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001480664887 1398271431 /nfs/dbraw/zinc/27/14/31/1398271431.db2.gz GTZZJVMLLLYHLX-GOSISDBHSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001480675288 1398276950 /nfs/dbraw/zinc/27/69/50/1398276950.db2.gz FRQUGNWVWNNYMK-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C)c1 ZINC001493298658 1398596182 /nfs/dbraw/zinc/59/61/82/1398596182.db2.gz YEIIYZOWSAQLMH-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C)c1 ZINC001493298658 1398596186 /nfs/dbraw/zinc/59/61/86/1398596186.db2.gz YEIIYZOWSAQLMH-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)C1 ZINC001493443532 1398711771 /nfs/dbraw/zinc/71/17/71/1398711771.db2.gz FYGCJTVDIRALEH-SFHVURJKSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)C1 ZINC001493443532 1398711776 /nfs/dbraw/zinc/71/17/76/1398711776.db2.gz FYGCJTVDIRALEH-SFHVURJKSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(CN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)C2CC2)cc1 ZINC001493443200 1398712001 /nfs/dbraw/zinc/71/20/01/1398712001.db2.gz DPBAVIHNIIMKEU-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C2CC2)cc1 ZINC001493443200 1398712004 /nfs/dbraw/zinc/71/20/04/1398712004.db2.gz DPBAVIHNIIMKEU-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001493696274 1398814221 /nfs/dbraw/zinc/81/42/21/1398814221.db2.gz RWBQFGFBQOKFLU-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO C[C@H](NCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001493696274 1398814223 /nfs/dbraw/zinc/81/42/23/1398814223.db2.gz RWBQFGFBQOKFLU-CABCVRRESA-N 1 3 337.895 2.791 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001493699289 1398816982 /nfs/dbraw/zinc/81/69/82/1398816982.db2.gz LZHAZJWUOQAUCM-HNNXBMFYSA-N 1 3 345.409 2.594 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001494077125 1399116034 /nfs/dbraw/zinc/11/60/34/1399116034.db2.gz UHGYWFHFJKITMU-RDJZCZTQSA-N 1 3 334.508 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001494077125 1399116038 /nfs/dbraw/zinc/11/60/38/1399116038.db2.gz UHGYWFHFJKITMU-RDJZCZTQSA-N 1 3 334.508 2.771 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001494171653 1399185812 /nfs/dbraw/zinc/18/58/12/1399185812.db2.gz KOIWGEQNJADUGH-MSOLQXFVSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H](C)c2ccccc2)C1 ZINC001494171653 1399185814 /nfs/dbraw/zinc/18/58/14/1399185814.db2.gz KOIWGEQNJADUGH-MSOLQXFVSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](c1ccccc1)N1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001494634019 1399408097 /nfs/dbraw/zinc/40/80/97/1399408097.db2.gz WJJVAWOOYXENEY-QGZVFWFLSA-N 1 3 329.488 2.672 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001507418480 1407032240 /nfs/dbraw/zinc/03/22/40/1407032240.db2.gz GCPMWYJSTPPLQB-WBVHZDCISA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+][C@@H]1CCCc2ccccc21 ZINC001495098219 1399662490 /nfs/dbraw/zinc/66/24/90/1399662490.db2.gz YQXZBZSCHPJGBN-PKOBYXMFSA-N 1 3 331.504 2.890 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@H](C)CC(C)C)CCCC1 ZINC001495204803 1399735095 /nfs/dbraw/zinc/73/50/95/1399735095.db2.gz GXBMQZCREYEJMG-OAHLLOKOSA-N 1 3 334.508 2.961 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001495679683 1400161117 /nfs/dbraw/zinc/16/11/17/1400161117.db2.gz JFYISTWFBZENPL-PKOBYXMFSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CCCC1 ZINC001495960943 1400383081 /nfs/dbraw/zinc/38/30/81/1400383081.db2.gz YUQJUFYQXFEXOW-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495968036 1400388468 /nfs/dbraw/zinc/38/84/68/1400388468.db2.gz APDXYUQNZACRHO-DUMMIQTOSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H](CNCc1ccccn1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496126588 1400487249 /nfs/dbraw/zinc/48/72/49/1400487249.db2.gz DMUSRURQWACKAW-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)N(C)C(=O)CCC[NH+](C)C ZINC001496141286 1400495700 /nfs/dbraw/zinc/49/57/00/1400495700.db2.gz BEGXEUAVXYKTBT-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO C[C@H](CNCc1ccccc1Cl)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496151774 1400504708 /nfs/dbraw/zinc/50/47/08/1400504708.db2.gz WWMHJVATYWJKJM-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)C)nc1C)N(C)C ZINC001496156495 1400507482 /nfs/dbraw/zinc/50/74/82/1400507482.db2.gz ZSILUGWWTVIGJM-BEFAXECRSA-N 1 3 348.535 2.790 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001496171924 1400516567 /nfs/dbraw/zinc/51/65/67/1400516567.db2.gz UKCBIEULJKTJHT-OAHLLOKOSA-N 1 3 328.460 2.712 20 0 EFADHO CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001496463584 1400747723 /nfs/dbraw/zinc/74/77/23/1400747723.db2.gz SGOBEPABFYFVBY-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001496717462 1400938902 /nfs/dbraw/zinc/93/89/02/1400938902.db2.gz UQSZMRQMMBFVQS-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001496717462 1400938904 /nfs/dbraw/zinc/93/89/04/1400938904.db2.gz UQSZMRQMMBFVQS-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cc(C)c(CN(C)CCN(C)C(=O)CCC[NH+](C)C)c(C)c1 ZINC001496771253 1400972226 /nfs/dbraw/zinc/97/22/26/1400972226.db2.gz ZTDRBXJCDGGONV-UHFFFAOYSA-N 1 3 333.520 2.844 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001496782387 1400980179 /nfs/dbraw/zinc/98/01/79/1400980179.db2.gz YPKQDIMRWSZSPW-SFHVURJKSA-N 1 3 345.531 2.524 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001496782387 1400980182 /nfs/dbraw/zinc/98/01/82/1400980182.db2.gz YPKQDIMRWSZSPW-SFHVURJKSA-N 1 3 345.531 2.524 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001496825436 1401012892 /nfs/dbraw/zinc/01/28/92/1401012892.db2.gz IPDXJPOVFKQFFC-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001496825436 1401012884 /nfs/dbraw/zinc/01/28/84/1401012884.db2.gz IPDXJPOVFKQFFC-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001496825434 1401013315 /nfs/dbraw/zinc/01/33/15/1401013315.db2.gz IPDXJPOVFKQFFC-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001496825434 1401013321 /nfs/dbraw/zinc/01/33/21/1401013321.db2.gz IPDXJPOVFKQFFC-GOSISDBHSA-N 1 3 335.467 2.545 20 0 EFADHO CN(CCN(C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001496836385 1401024763 /nfs/dbraw/zinc/02/47/63/1401024763.db2.gz RHQIZVYLWSZDAI-LPHOPBHVSA-N 1 3 347.478 2.545 20 0 EFADHO CN(CCN(C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496836385 1401024771 /nfs/dbraw/zinc/02/47/71/1401024771.db2.gz RHQIZVYLWSZDAI-LPHOPBHVSA-N 1 3 347.478 2.545 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001496916144 1401100950 /nfs/dbraw/zinc/10/09/50/1401100950.db2.gz OYAJTDVIZMNEIY-APWZRJJASA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001497906274 1401731292 /nfs/dbraw/zinc/73/12/92/1401731292.db2.gz YYVZASUGHYKISZ-ZTFGCOKTSA-N 1 3 337.483 2.957 20 0 EFADHO C[C@H](CNCc1cc2ccccc2o1)NC(=O)CCC[NH+]1CCCC1 ZINC001497990477 1401796549 /nfs/dbraw/zinc/79/65/49/1401796549.db2.gz LFCWWACWQOSVPD-MRXNPFEDSA-N 1 3 343.471 2.903 20 0 EFADHO C[C@H](CN(C)[C@@H](C)c1cccc(F)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001498331066 1402014819 /nfs/dbraw/zinc/01/48/19/1402014819.db2.gz QAVYUIVVCSXULV-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2ccccc2F)C(C)(C)C)CCC1 ZINC001507950452 1407221126 /nfs/dbraw/zinc/22/11/26/1407221126.db2.gz FQHLLYNLNMXNAH-KRWDZBQOSA-N 1 3 349.494 2.931 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001498428804 1402094497 /nfs/dbraw/zinc/09/44/97/1402094497.db2.gz KLGHRWDDIMELRJ-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)[C@@H]1CCc2c1cccc2F ZINC001498428804 1402094501 /nfs/dbraw/zinc/09/45/01/1402094501.db2.gz KLGHRWDDIMELRJ-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487152 1402140296 /nfs/dbraw/zinc/14/02/96/1402140296.db2.gz FGPJCBVENYGZAA-IAGOWNOFSA-N 1 3 325.541 2.885 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC001499615790 1402720922 /nfs/dbraw/zinc/72/09/22/1402720922.db2.gz HYSOYDYPOUOYLK-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC001499615790 1402720925 /nfs/dbraw/zinc/72/09/25/1402720925.db2.gz HYSOYDYPOUOYLK-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2F)C[C@H]1C ZINC001499853435 1402820975 /nfs/dbraw/zinc/82/09/75/1402820975.db2.gz NCCLCCPWEQVLRE-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1CC ZINC001499943261 1402864160 /nfs/dbraw/zinc/86/41/60/1402864160.db2.gz CCUDVXHPTCPYJU-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001500377849 1403083740 /nfs/dbraw/zinc/08/37/40/1403083740.db2.gz CBHWCESVGVKWTF-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051373 1403421232 /nfs/dbraw/zinc/42/12/32/1403421232.db2.gz VLZWJUWPWFFPPF-STQMWFEESA-N 1 3 348.318 2.616 20 0 EFADHO CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001501081198 1403432577 /nfs/dbraw/zinc/43/25/77/1403432577.db2.gz ZJGRDKLURGTEJB-HKUYNNGSSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001501084320 1403434669 /nfs/dbraw/zinc/43/46/69/1403434669.db2.gz TYUMISSRDLXEFZ-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001501622064 1403650258 /nfs/dbraw/zinc/65/02/58/1403650258.db2.gz PCPPEYFIOJUUBO-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC1CCCC1 ZINC001502742546 1404321439 /nfs/dbraw/zinc/32/14/39/1404321439.db2.gz XZLXXFBRADKVPP-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001502742547 1404321507 /nfs/dbraw/zinc/32/15/07/1404321507.db2.gz XZLXXFBRADKVPP-WMZOPIPTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1CCCC1 ZINC001502742545 1404321648 /nfs/dbraw/zinc/32/16/48/1404321648.db2.gz XZLXXFBRADKVPP-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834701 1404389892 /nfs/dbraw/zinc/38/98/92/1404389892.db2.gz PISDAVSSFGZKNU-MRXNPFEDSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834701 1404389899 /nfs/dbraw/zinc/38/98/99/1404389899.db2.gz PISDAVSSFGZKNU-MRXNPFEDSA-N 1 3 325.541 2.837 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001503004729 1404457258 /nfs/dbraw/zinc/45/72/58/1404457258.db2.gz ZKOYTYHRNINPLM-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)[C@H](C)C1 ZINC001503004729 1404457261 /nfs/dbraw/zinc/45/72/61/1404457261.db2.gz ZKOYTYHRNINPLM-QAPCUYQASA-N 1 3 335.467 2.637 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935997 1405247781 /nfs/dbraw/zinc/24/77/81/1405247781.db2.gz SHOBVJGTDHNAMP-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935997 1405247784 /nfs/dbraw/zinc/24/77/84/1405247784.db2.gz SHOBVJGTDHNAMP-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001506043185 1405392714 /nfs/dbraw/zinc/39/27/14/1405392714.db2.gz LKZOMVDCHVQMFD-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001506043185 1405392723 /nfs/dbraw/zinc/39/27/23/1405392723.db2.gz LKZOMVDCHVQMFD-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001506627660 1406062525 /nfs/dbraw/zinc/06/25/25/1406062525.db2.gz QWUBCGTUPPLQGV-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)[C@H]2C1 ZINC001550670299 1413693444 /nfs/dbraw/zinc/69/34/44/1413693444.db2.gz NNATWUPJVLEJER-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO COc1nc(Cl)c(CNC2CCC(C)([NH+]3CCCC3)CC2)n1C ZINC001550931643 1413806660 /nfs/dbraw/zinc/80/66/60/1413806660.db2.gz MYGCWKPISJPCNG-UHFFFAOYSA-N 1 3 340.899 2.969 20 0 EFADHO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@@]2(C)C1 ZINC001551083889 1413892461 /nfs/dbraw/zinc/89/24/61/1413892461.db2.gz BEMHKBMLRGXARH-PZJWPPBQSA-N 1 3 341.499 2.696 20 0 EFADHO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@@]2(C)C1 ZINC001551083889 1413892468 /nfs/dbraw/zinc/89/24/68/1413892468.db2.gz BEMHKBMLRGXARH-PZJWPPBQSA-N 1 3 341.499 2.696 20 0 EFADHO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@]2(C)C1 ZINC001551083888 1413892665 /nfs/dbraw/zinc/89/26/65/1413892665.db2.gz BEMHKBMLRGXARH-FPOVZHCZSA-N 1 3 341.499 2.696 20 0 EFADHO C[N@H+]1C[C@H]2CN(C(=O)c3cccc(CN4CCCCC4)c3)C[C@]2(C)C1 ZINC001551083888 1413892673 /nfs/dbraw/zinc/89/26/73/1413892673.db2.gz BEMHKBMLRGXARH-FPOVZHCZSA-N 1 3 341.499 2.696 20 0 EFADHO CN1CC[C@H]2CCN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC001551200414 1413947290 /nfs/dbraw/zinc/94/72/90/1413947290.db2.gz YILMWLIHEFHQMC-FFEBTUMSSA-N 1 3 348.535 2.519 20 0 EFADHO Cc1cccc2ncc(C[NH2+]C3CCC(C)(N4CCOCC4)CC3)n21 ZINC001551237362 1413968819 /nfs/dbraw/zinc/96/88/19/1413968819.db2.gz FYLVBGIREGOQDE-UHFFFAOYSA-N 1 3 342.487 2.766 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC001551238756 1413970867 /nfs/dbraw/zinc/97/08/67/1413970867.db2.gz ZMAWBZIHNFSMCZ-UHFFFAOYSA-N 1 3 328.460 2.686 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(Cn3ccc(-c4nccs4)n3)C[C@H]2C1 ZINC001551380711 1414049744 /nfs/dbraw/zinc/04/97/44/1414049744.db2.gz FZIZFYVZSRKBSY-RBSFLKMASA-N 1 3 331.489 2.626 20 0 EFADHO CC(C)n1cc([C@@H](C)NC2CCC(C)([NH+]3CCOCC3)CC2)nn1 ZINC001551393647 1414058081 /nfs/dbraw/zinc/05/80/81/1414058081.db2.gz AIBSOKMDMVOOSD-KLHKWILBSA-N 1 3 335.496 2.543 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](N)[C@@H](c2cn(C)cn2)C1 ZINC001551404556 1414064299 /nfs/dbraw/zinc/06/42/99/1414064299.db2.gz ZEFHGFKGUPIISF-LSDHHAIUSA-N 1 3 338.377 2.674 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@@H](N)[C@@H](c2cn(C)cn2)C1 ZINC001551404556 1414064306 /nfs/dbraw/zinc/06/43/06/1414064306.db2.gz ZEFHGFKGUPIISF-LSDHHAIUSA-N 1 3 338.377 2.674 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]C[C@@]2(O)CC3CCC2CC3)CC1 ZINC001551464586 1414085546 /nfs/dbraw/zinc/08/55/46/1414085546.db2.gz FEUGLGCMVILHRA-CEVCPLMDSA-N 1 3 336.520 2.551 20 0 EFADHO C[C@H](NC(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@@H](c1ccccc1)N(C)C ZINC001551562399 1414124855 /nfs/dbraw/zinc/12/48/55/1414124855.db2.gz PLGDGVKQKWXCFX-NFUJHRAVSA-N 1 3 344.503 2.637 20 0 EFADHO C[C@H](NC(=O)NC1CCC2(C[C@H]2[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC001551562393 1414125083 /nfs/dbraw/zinc/12/50/83/1414125083.db2.gz PLGDGVKQKWXCFX-MVFPVFIASA-N 1 3 344.503 2.637 20 0 EFADHO C[C@H](NC(=O)NC1CCC2(C[C@@H]2[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC001551562388 1414125196 /nfs/dbraw/zinc/12/51/96/1414125196.db2.gz PLGDGVKQKWXCFX-JURFCUMRSA-N 1 3 344.503 2.637 20 0 EFADHO CN(C(=O)[C@H]1CCCN1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001551892529 1414267175 /nfs/dbraw/zinc/26/71/75/1414267175.db2.gz HCKWRXLVKWORRE-HXUWFJFHSA-N 1 3 341.499 2.736 20 0 EFADHO C[N@H+]1C[C@H]2[C@H](C1)CCCN2C(=O)c1cccc(CN2CCCCC2)c1 ZINC001552135964 1414349179 /nfs/dbraw/zinc/34/91/79/1414349179.db2.gz GKBDJVAHXIQGNG-PMACEKPBSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C(=O)c1cccc(CN2CCCCC2)c1 ZINC001552135964 1414349186 /nfs/dbraw/zinc/34/91/86/1414349186.db2.gz GKBDJVAHXIQGNG-PMACEKPBSA-N 1 3 341.499 2.839 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@H](C)N1 ZINC001552231564 1414382708 /nfs/dbraw/zinc/38/27/08/1414382708.db2.gz IHZYTBBZRZIQRX-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO Cn1cc([C@H]2OCCC[C@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552377210 1414443831 /nfs/dbraw/zinc/44/38/31/1414443831.db2.gz ZIARHGANHBDARI-YJBOKZPZSA-N 1 3 334.508 2.740 20 0 EFADHO Cn1ccnc1[C@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552377859 1414444073 /nfs/dbraw/zinc/44/40/73/1414444073.db2.gz FIEWORVTNBQGJX-LPHOPBHVSA-N 1 3 346.519 2.884 20 0 EFADHO c1ccc2oc(C3CCN(C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)nc2c1 ZINC001552413354 1414451099 /nfs/dbraw/zinc/45/10/99/1414451099.db2.gz FUHOBJKFPXNVQN-HNNXBMFYSA-N 1 3 327.428 2.528 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC001552432257 1414453175 /nfs/dbraw/zinc/45/31/75/1414453175.db2.gz LJVVCYQGUNHTQL-UHOSZYNNSA-N 1 3 327.472 2.602 20 0 EFADHO CCn1ccnc1[C@H]1OCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC001552777024 1414554340 /nfs/dbraw/zinc/55/43/40/1414554340.db2.gz YRYLENVUKZZJLJ-LPHOPBHVSA-N 1 3 346.519 2.977 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@]12CCC[C@@H]1[NH2+]CC2)c1ccc(Cl)cc1 ZINC001552840487 1414580907 /nfs/dbraw/zinc/58/09/07/1414580907.db2.gz QUCKQJJZZHRWPL-XYJFISCASA-N 1 3 335.879 2.591 20 0 EFADHO COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NCc1cnn2c1C[N@H+](C)CC2 ZINC001552972694 1414627539 /nfs/dbraw/zinc/62/75/39/1414627539.db2.gz PFJGEFMZTFKYOP-KUHUBIRLSA-N 1 3 340.471 2.750 20 0 EFADHO COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NCc1cnn2c1C[N@@H+](C)CC2 ZINC001552972694 1414627541 /nfs/dbraw/zinc/62/75/41/1414627541.db2.gz PFJGEFMZTFKYOP-KUHUBIRLSA-N 1 3 340.471 2.750 20 0 EFADHO C[C@@H]1CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)N1CC(F)(F)F ZINC001553305639 1414768953 /nfs/dbraw/zinc/76/89/53/1414768953.db2.gz SJJSHDACJZIXFO-YZDRTPDPSA-N 1 3 333.442 2.864 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1)N(C)C ZINC001566488000 1415580515 /nfs/dbraw/zinc/58/05/15/1415580515.db2.gz CSBPHIYNJFIZOM-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1cccc(F)c1)N(C)C ZINC001566488000 1415580518 /nfs/dbraw/zinc/58/05/18/1415580518.db2.gz CSBPHIYNJFIZOM-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCc2ccccc2)CC1 ZINC001568148847 1416425764 /nfs/dbraw/zinc/42/57/64/1416425764.db2.gz DRWSRJLNIMAOEB-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001645885607 1416579795 /nfs/dbraw/zinc/57/97/95/1416579795.db2.gz XZHXJBOIXCPCTN-HNAYVOBHSA-N 1 3 344.503 2.631 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001645885608 1416579930 /nfs/dbraw/zinc/57/99/30/1416579930.db2.gz XZHXJBOIXCPCTN-KXBFYZLASA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)C1 ZINC000125755870 1417177628 /nfs/dbraw/zinc/17/76/28/1417177628.db2.gz SWZPPNWBBTUJKU-MRXNPFEDSA-N 1 3 333.476 2.594 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000136589206 1417300999 /nfs/dbraw/zinc/30/09/99/1417300999.db2.gz LCVSBPVCQASBBA-PMACEKPBSA-N 1 3 345.487 2.503 20 0 EFADHO CCNC(=O)N1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000152708956 1418253742 /nfs/dbraw/zinc/25/37/42/1418253742.db2.gz HJHZYDBZFXVDBE-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CCNC(=O)N1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000152708956 1418253745 /nfs/dbraw/zinc/25/37/45/1418253745.db2.gz HJHZYDBZFXVDBE-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[NH+]1CCC(NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000230392391 1418263563 /nfs/dbraw/zinc/26/35/63/1418263563.db2.gz UXIKQHKOMRQHIG-UHFFFAOYSA-N 1 3 325.497 2.896 20 0 EFADHO Cc1ccc2ncc(CNCc3cccc(OCC[NH+](C)C)c3)n2c1 ZINC000155881338 1418269194 /nfs/dbraw/zinc/26/91/94/1418269194.db2.gz PKIMTIPAUARNEN-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001723053327 1424412016 /nfs/dbraw/zinc/41/20/16/1424412016.db2.gz VSOUWCUVTXEXTC-RTBURBONSA-N 1 3 331.504 2.842 20 0 EFADHO CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001724889657 1425102609 /nfs/dbraw/zinc/10/26/09/1425102609.db2.gz YMZJFUSMIHKJCO-GOSISDBHSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)c1ccccc1F ZINC000969200043 712966114 /nfs/dbraw/zinc/96/61/14/712966114.db2.gz NWTPMKKGMYLVCY-HZPDHXFCSA-N 1 3 345.462 2.706 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020500105 713084973 /nfs/dbraw/zinc/08/49/73/713084973.db2.gz NSGLZECOOOWNMT-KZNAEPCWSA-N 1 3 347.478 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020500105 713084974 /nfs/dbraw/zinc/08/49/74/713084974.db2.gz NSGLZECOOOWNMT-KZNAEPCWSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(Cl)c1 ZINC000969588699 713178984 /nfs/dbraw/zinc/17/89/84/713178984.db2.gz QXPCFXNMFIYPLU-KBRIMQKVSA-N 1 3 335.879 2.686 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC000969651798 713204679 /nfs/dbraw/zinc/20/46/79/713204679.db2.gz ALYQLCJVKCQGFY-FXAWDEMLSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC000969651798 713204681 /nfs/dbraw/zinc/20/46/81/713204681.db2.gz ALYQLCJVKCQGFY-FXAWDEMLSA-N 1 3 343.515 2.804 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000969653878 713205948 /nfs/dbraw/zinc/20/59/48/713205948.db2.gz NJPDCCKDZBITGR-MAUKXSAKSA-N 1 3 349.544 2.600 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969654511 713206374 /nfs/dbraw/zinc/20/63/74/713206374.db2.gz QNNMNEVBXNZFBK-YJBOKZPZSA-N 1 3 335.536 2.732 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3C)C2)CC[N@@H+]1C ZINC000969687446 713219032 /nfs/dbraw/zinc/21/90/32/713219032.db2.gz BQDWDJDTGWHEMH-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3C)C2)CC[N@H+]1C ZINC000969687446 713219036 /nfs/dbraw/zinc/21/90/36/713219036.db2.gz BQDWDJDTGWHEMH-FFZOFVMBSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3C)C2)CC[N@@H+]1C ZINC000969687447 713219173 /nfs/dbraw/zinc/21/91/73/713219173.db2.gz BQDWDJDTGWHEMH-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3C)C2)CC[N@H+]1C ZINC000969687447 713219176 /nfs/dbraw/zinc/21/91/76/713219176.db2.gz BQDWDJDTGWHEMH-LSTHTHJFSA-N 1 3 343.515 2.662 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC000969700093 713222976 /nfs/dbraw/zinc/22/29/76/713222976.db2.gz OLKDLTLEDDTWLU-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC000969700093 713222978 /nfs/dbraw/zinc/22/29/78/713222978.db2.gz OLKDLTLEDDTWLU-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO Cc1cc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000969699652 713223219 /nfs/dbraw/zinc/22/32/19/713223219.db2.gz LXUXVLBYTQYZHA-HBUWYVDXSA-N 1 3 349.544 2.642 20 0 EFADHO Cc1cc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000969699652 713223220 /nfs/dbraw/zinc/22/32/20/713223220.db2.gz LXUXVLBYTQYZHA-HBUWYVDXSA-N 1 3 349.544 2.642 20 0 EFADHO Cc1cnc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)s1 ZINC000072661891 713224593 /nfs/dbraw/zinc/22/45/93/713224593.db2.gz GNHIQNYHUOMWBF-UHFFFAOYSA-N 1 3 343.500 2.520 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792760 713263921 /nfs/dbraw/zinc/26/39/21/713263921.db2.gz KPRWHERINCOXNS-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792760 713263923 /nfs/dbraw/zinc/26/39/23/713263923.db2.gz KPRWHERINCOXNS-YLJYHZDGSA-N 1 3 343.515 2.806 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC000969794011 713264260 /nfs/dbraw/zinc/26/42/60/713264260.db2.gz UBIYTLQCNZQNQF-VQIMIIECSA-N 1 3 347.547 2.878 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799155 713265015 /nfs/dbraw/zinc/26/50/15/713265015.db2.gz UVPXRUNQZLZOFZ-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799155 713265016 /nfs/dbraw/zinc/26/50/16/713265016.db2.gz UVPXRUNQZLZOFZ-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001020586034 713265373 /nfs/dbraw/zinc/26/53/73/713265373.db2.gz CNFLTUQMDRTDBV-KBAYOESNSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001020587403 713266470 /nfs/dbraw/zinc/26/64/70/713266470.db2.gz DPWRUFMMLJGMJJ-VGWMRTNUSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001020587402 713266517 /nfs/dbraw/zinc/26/65/17/713266517.db2.gz DPWRUFMMLJGMJJ-QKPAOTATSA-N 1 3 343.462 2.533 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CC3CCCC3)C2)C1 ZINC001020587859 713266624 /nfs/dbraw/zinc/26/66/24/713266624.db2.gz XMNQYJJRICQZRG-BXWFABGCSA-N 1 3 339.499 2.626 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001020587690 713266631 /nfs/dbraw/zinc/26/66/31/713266631.db2.gz QRALHHAKQUGUDX-UKBAYJJMSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(Cl)c1 ZINC001020588787 713267082 /nfs/dbraw/zinc/26/70/82/713267082.db2.gz MCSCTPPMCIRFSM-USJZOSNVSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001020586442 713267430 /nfs/dbraw/zinc/26/74/30/713267430.db2.gz OLBVBWCISUPPGW-CSMYWGQOSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2sccc2Cl)C1 ZINC001020586619 713267613 /nfs/dbraw/zinc/26/76/13/713267613.db2.gz UAZUCYGHUZDUAJ-AVGNSLFASA-N 1 3 341.908 2.623 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001020590413 713268010 /nfs/dbraw/zinc/26/80/10/713268010.db2.gz VNQLQLMAVLOLCH-AXUOBQJMSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969814069 713269486 /nfs/dbraw/zinc/26/94/86/713269486.db2.gz GSPNGKSBXCIYPU-MRXNPFEDSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001020591181 713269778 /nfs/dbraw/zinc/26/97/78/713269778.db2.gz GNTHMCBDRNDSKB-WGSAOQKQSA-N 1 3 343.515 2.506 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001020593123 713271298 /nfs/dbraw/zinc/27/12/98/713271298.db2.gz XQCNGGGVMKFBMC-DZUCGIPZSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001020593123 713271299 /nfs/dbraw/zinc/27/12/99/713271299.db2.gz XQCNGGGVMKFBMC-DZUCGIPZSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969844049 713279897 /nfs/dbraw/zinc/27/98/97/713279897.db2.gz CNICCZXSBMPSCZ-RTBURBONSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000969843927 713279982 /nfs/dbraw/zinc/27/99/82/713279982.db2.gz ALFHNLGSMZNNIH-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC000969844594 713280906 /nfs/dbraw/zinc/28/09/06/713280906.db2.gz KIYWRQYXIQNWGC-BMGDILEWSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)s1 ZINC000969844623 713280935 /nfs/dbraw/zinc/28/09/35/713280935.db2.gz LTDZAPRGTFNMPG-IAGOWNOFSA-N 1 3 337.533 2.642 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC000969948305 713319423 /nfs/dbraw/zinc/31/94/23/713319423.db2.gz JMDSPZMQSJSESD-RTBURBONSA-N 1 3 343.515 2.787 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC000969947290 713319913 /nfs/dbraw/zinc/31/99/13/713319913.db2.gz CUHGFOKRLQLSIJ-CXAGYDPISA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000969950875 713320789 /nfs/dbraw/zinc/32/07/89/713320789.db2.gz KLJMDHBJLBOOKM-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000969954180 713321381 /nfs/dbraw/zinc/32/13/81/713321381.db2.gz AVNKDLOKVOJZIK-HNAYVOBHSA-N 1 3 343.515 2.644 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC000969969012 713326567 /nfs/dbraw/zinc/32/65/67/713326567.db2.gz XFTQXDRJFYBVPQ-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC000969985679 713334385 /nfs/dbraw/zinc/33/43/85/713334385.db2.gz MDCNKRBCOFJCAQ-MJGOQNOKSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018716 713344610 /nfs/dbraw/zinc/34/46/10/713344610.db2.gz CEAJXHJBOAPBTG-PXNSSMCTSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018716 713344612 /nfs/dbraw/zinc/34/46/12/713344612.db2.gz CEAJXHJBOAPBTG-PXNSSMCTSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3C(C)C)C2)cc1 ZINC001020676156 713345798 /nfs/dbraw/zinc/34/57/98/713345798.db2.gz USVRJIQKLDSPOZ-UFYCRDLUSA-N 1 3 343.515 2.995 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020676061 713345849 /nfs/dbraw/zinc/34/58/49/713345849.db2.gz PZPXFROXXPMMDZ-GUDVDZBRSA-N 1 3 333.520 2.987 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001020719817 713371814 /nfs/dbraw/zinc/37/18/14/713371814.db2.gz RNTGEWCGWHJTND-MTNOOBJLSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001020719817 713371816 /nfs/dbraw/zinc/37/18/16/713371816.db2.gz RNTGEWCGWHJTND-MTNOOBJLSA-N 1 3 345.462 2.579 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2cccc(C)c2)CC[N@@H+]1C ZINC001027893558 717896417 /nfs/dbraw/zinc/89/64/17/717896417.db2.gz ZEUORFLNZJRHHL-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2cccc(C)c2)CC[N@H+]1C ZINC001027893558 717896419 /nfs/dbraw/zinc/89/64/19/717896419.db2.gz ZEUORFLNZJRHHL-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001027893727 717898028 /nfs/dbraw/zinc/89/80/28/717898028.db2.gz DCVZXQXXAHYTSD-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001027893727 717898031 /nfs/dbraw/zinc/89/80/31/717898031.db2.gz DCVZXQXXAHYTSD-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000970177166 713507766 /nfs/dbraw/zinc/50/77/66/713507766.db2.gz OWXQDQICSMEKBU-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001021089352 713561647 /nfs/dbraw/zinc/56/16/47/713561647.db2.gz ARIPRLLPKFTALI-FVCZOJIISA-N 1 3 343.515 2.859 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001021091205 713562952 /nfs/dbraw/zinc/56/29/52/713562952.db2.gz SSFMLTAKIMLQHT-NCXUSEDFSA-N 1 3 343.515 2.913 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001021094722 713564650 /nfs/dbraw/zinc/56/46/50/713564650.db2.gz ZLYAROXOCAOZBS-NNFUDEMPSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001021096398 713574982 /nfs/dbraw/zinc/57/49/82/713574982.db2.gz QXAQSIAMKWJTKV-UFYCRDLUSA-N 1 3 343.515 2.649 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCN2CC)C1 ZINC001021096216 713575209 /nfs/dbraw/zinc/57/52/09/713575209.db2.gz JMXVALOWSYCAMX-VAMGGRTRSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001021096365 713575234 /nfs/dbraw/zinc/57/52/34/713575234.db2.gz PJWQGGZLSYOPOR-KZNAEPCWSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001021096420 713575266 /nfs/dbraw/zinc/57/52/66/713575266.db2.gz RXXVOQPOIDTHGD-UFYCRDLUSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001021096193 713575286 /nfs/dbraw/zinc/57/52/86/713575286.db2.gz IHQVGBRSMJZSLA-QWFCFKBJSA-N 1 3 343.515 2.915 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039159681 713608330 /nfs/dbraw/zinc/60/83/30/713608330.db2.gz UWCIOCLPCSHZER-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039159681 713608333 /nfs/dbraw/zinc/60/83/33/713608333.db2.gz UWCIOCLPCSHZER-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000970325324 713635477 /nfs/dbraw/zinc/63/54/77/713635477.db2.gz DMPOSCMAXPETGT-LNLFQRSKSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000970325324 713635479 /nfs/dbraw/zinc/63/54/79/713635479.db2.gz DMPOSCMAXPETGT-LNLFQRSKSA-N 1 3 343.515 2.662 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970366615 713666244 /nfs/dbraw/zinc/66/62/44/713666244.db2.gz LGTNVANVQCSYQD-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@H](c1ccccc1)N1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970371135 713669759 /nfs/dbraw/zinc/66/97/59/713669759.db2.gz BCKVNSXXTZEZPD-JKSUJKDBSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccccc3F)C2)CC1 ZINC000970384285 713681526 /nfs/dbraw/zinc/68/15/26/713681526.db2.gz BBJPFHYNKXIIFI-GOSISDBHSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021254596 713717456 /nfs/dbraw/zinc/71/74/56/713717456.db2.gz QGTIUFQAESNZHW-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021254596 713717458 /nfs/dbraw/zinc/71/74/58/713717458.db2.gz QGTIUFQAESNZHW-XVLXNVKGSA-N 1 3 333.520 2.771 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021274341 713726104 /nfs/dbraw/zinc/72/61/04/713726104.db2.gz SXTGACBJSVHNSV-OBIGICAZSA-N 1 3 339.911 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001021274341 713726105 /nfs/dbraw/zinc/72/61/05/713726105.db2.gz SXTGACBJSVHNSV-OBIGICAZSA-N 1 3 339.911 2.725 20 0 EFADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039181963 713758578 /nfs/dbraw/zinc/75/85/78/713758578.db2.gz FWBYAKDVTMMDEC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCCN3CC)CC2)C1 ZINC001039181963 713758580 /nfs/dbraw/zinc/75/85/80/713758580.db2.gz FWBYAKDVTMMDEC-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530423 713780977 /nfs/dbraw/zinc/78/09/77/713780977.db2.gz ZMUBKKAEHINXJM-PXNSSMCTSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530423 713780979 /nfs/dbraw/zinc/78/09/79/713780979.db2.gz ZMUBKKAEHINXJM-PXNSSMCTSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021400359 713873597 /nfs/dbraw/zinc/87/35/97/713873597.db2.gz VGJCBXZIMWCUHU-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021400359 713873601 /nfs/dbraw/zinc/87/36/01/713873601.db2.gz VGJCBXZIMWCUHU-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001021448990 713926377 /nfs/dbraw/zinc/92/63/77/713926377.db2.gz YUCIBYVATJMDTJ-MQVJKMGUSA-N 1 3 332.492 2.808 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001021448990 713926379 /nfs/dbraw/zinc/92/63/79/713926379.db2.gz YUCIBYVATJMDTJ-MQVJKMGUSA-N 1 3 332.492 2.808 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970713699 713926906 /nfs/dbraw/zinc/92/69/06/713926906.db2.gz JUKKVPOLDIUWLM-MRXNPFEDSA-N 1 3 333.520 2.511 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000970717603 713931716 /nfs/dbraw/zinc/93/17/16/713931716.db2.gz DMFLNHKYUAGFBR-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970718227 713932125 /nfs/dbraw/zinc/93/21/25/713932125.db2.gz IDNOSNWTIQKUMT-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC000970720290 713932647 /nfs/dbraw/zinc/93/26/47/713932647.db2.gz PYXUXZSIUVLGNF-LJQANCHMSA-N 1 3 343.515 2.770 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC000970719336 713932886 /nfs/dbraw/zinc/93/28/86/713932886.db2.gz ANXRSEAYKHYOBV-WMLDXEAASA-N 1 3 335.879 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000970796286 714002298 /nfs/dbraw/zinc/00/22/98/714002298.db2.gz MEWGMUDAFYEHBR-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000970800477 714009126 /nfs/dbraw/zinc/00/91/26/714009126.db2.gz PTCHKKTXTBFYNV-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000970800110 714009239 /nfs/dbraw/zinc/00/92/39/714009239.db2.gz LOZVVVBWVMBJCV-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000970800494 714009364 /nfs/dbraw/zinc/00/93/64/714009364.db2.gz QFLFQHNTGKGQML-SJLPKXTDSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000970800494 714009368 /nfs/dbraw/zinc/00/93/68/714009368.db2.gz QFLFQHNTGKGQML-SJLPKXTDSA-N 1 3 349.906 2.905 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000970802784 714011527 /nfs/dbraw/zinc/01/15/27/714011527.db2.gz CHCXLILAAXFGPH-MSOLQXFVSA-N 1 3 349.544 2.930 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC000970802785 714011812 /nfs/dbraw/zinc/01/18/12/714011812.db2.gz CHCXLILAAXFGPH-QZTJIDSGSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]2C1 ZINC000980228439 717946652 /nfs/dbraw/zinc/94/66/52/717946652.db2.gz FVVFOUNTROVSEX-GVDBMIGSSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]2C1 ZINC000980228439 717946654 /nfs/dbraw/zinc/94/66/54/717946654.db2.gz FVVFOUNTROVSEX-GVDBMIGSSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC000980230197 717949841 /nfs/dbraw/zinc/94/98/41/717949841.db2.gz KNEBGWHBOQTULU-RCCFBDPRSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2C1 ZINC000980230197 717949847 /nfs/dbraw/zinc/94/98/47/717949847.db2.gz KNEBGWHBOQTULU-RCCFBDPRSA-N 1 3 344.503 2.668 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CCC2)C1 ZINC000970916204 714131495 /nfs/dbraw/zinc/13/14/95/714131495.db2.gz JVXXPDGRIOCZMO-HNNXBMFYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CC(C)C2)C1 ZINC000970918573 714133621 /nfs/dbraw/zinc/13/36/21/714133621.db2.gz VOEPJWWVEZVURH-PQUAAJSLSA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970926746 714142451 /nfs/dbraw/zinc/14/24/51/714142451.db2.gz BQVJHUPNIVKEPZ-APWZRJJASA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000970927844 714142907 /nfs/dbraw/zinc/14/29/07/714142907.db2.gz HUHPWBCDHSESJL-MAUKXSAKSA-N 1 3 349.544 2.602 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@@H]21)C1CCC1 ZINC001021605048 714164297 /nfs/dbraw/zinc/16/42/97/714164297.db2.gz JFTBKRWBGNQTCH-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@@H]21)C1CCC1 ZINC001021605048 714164302 /nfs/dbraw/zinc/16/43/02/714164302.db2.gz JFTBKRWBGNQTCH-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604363 714165283 /nfs/dbraw/zinc/16/52/83/714165283.db2.gz CITDGRSNMJWLRB-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604363 714165285 /nfs/dbraw/zinc/16/52/85/714165285.db2.gz CITDGRSNMJWLRB-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]21)C1CCC1 ZINC001021606558 714169099 /nfs/dbraw/zinc/16/90/99/714169099.db2.gz RIKJNQRYHJFBDZ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]21)C1CCC1 ZINC001021606558 714169102 /nfs/dbraw/zinc/16/91/02/714169102.db2.gz RIKJNQRYHJFBDZ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667768 714266722 /nfs/dbraw/zinc/26/67/22/714266722.db2.gz HQAZAMRHRGSYCX-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021667768 714266723 /nfs/dbraw/zinc/26/67/23/714266723.db2.gz HQAZAMRHRGSYCX-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@@]1(C[NH3+])CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000261660931 714358173 /nfs/dbraw/zinc/35/81/73/714358173.db2.gz IGSYQFRVCZAZIL-HNNXBMFYSA-N 1 3 329.366 2.705 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200560 714460652 /nfs/dbraw/zinc/46/06/52/714460652.db2.gz HQQVXXZVNSRGTG-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200560 714460653 /nfs/dbraw/zinc/46/06/53/714460653.db2.gz HQQVXXZVNSRGTG-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200189 714461188 /nfs/dbraw/zinc/46/11/88/714461188.db2.gz FOEBLDCZRFRAIY-UYAOXDASSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200189 714461189 /nfs/dbraw/zinc/46/11/89/714461189.db2.gz FOEBLDCZRFRAIY-UYAOXDASSA-N 1 3 341.499 2.691 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251864 717980940 /nfs/dbraw/zinc/98/09/40/717980940.db2.gz GZXRDSWKDUOZKS-WDSOQIARSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980251864 717980942 /nfs/dbraw/zinc/98/09/42/717980942.db2.gz GZXRDSWKDUOZKS-WDSOQIARSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251859 717981097 /nfs/dbraw/zinc/98/10/97/717981097.db2.gz GZXRDSWKDUOZKS-QXAKKESOSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251859 717981100 /nfs/dbraw/zinc/98/11/00/717981100.db2.gz GZXRDSWKDUOZKS-QXAKKESOSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251861 717981199 /nfs/dbraw/zinc/98/11/99/717981199.db2.gz GZXRDSWKDUOZKS-UHOSZYNNSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980251861 717981203 /nfs/dbraw/zinc/98/12/03/717981203.db2.gz GZXRDSWKDUOZKS-UHOSZYNNSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@H]2C1 ZINC000980254959 717985137 /nfs/dbraw/zinc/98/51/37/717985137.db2.gz OIQIRZJYJFZMMF-CGTJXYLNSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@H]2C1 ZINC000980254959 717985141 /nfs/dbraw/zinc/98/51/41/717985141.db2.gz OIQIRZJYJFZMMF-CGTJXYLNSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC000980254964 717985347 /nfs/dbraw/zinc/98/53/47/717985347.db2.gz OIQIRZJYJFZMMF-RYQLBKOJSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC000980254964 717985352 /nfs/dbraw/zinc/98/53/52/717985352.db2.gz OIQIRZJYJFZMMF-RYQLBKOJSA-N 1 3 347.478 2.548 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000891411894 714632475 /nfs/dbraw/zinc/63/24/75/714632475.db2.gz RQDUQNLNGGALCV-CAMMJAKZSA-N 1 3 344.503 2.639 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521842 714688379 /nfs/dbraw/zinc/68/83/79/714688379.db2.gz DYFXDEXSLAOZEK-RTBURBONSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971521842 714688380 /nfs/dbraw/zinc/68/83/80/714688380.db2.gz DYFXDEXSLAOZEK-RTBURBONSA-N 1 3 347.478 2.731 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001022070008 714719623 /nfs/dbraw/zinc/71/96/23/714719623.db2.gz QFRWQCIWWPEJKB-JONQDZQNSA-N 1 3 343.462 2.531 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)N1CCCCC1 ZINC001022078130 714732101 /nfs/dbraw/zinc/73/21/01/714732101.db2.gz XPEDFIGVDKSXLQ-HDICACEKSA-N 1 3 333.520 2.988 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674376 714873585 /nfs/dbraw/zinc/87/35/85/714873585.db2.gz RHZMQBCRLFOIIL-MAUKXSAKSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674376 714873587 /nfs/dbraw/zinc/87/35/87/714873587.db2.gz RHZMQBCRLFOIIL-MAUKXSAKSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000971675589 714875871 /nfs/dbraw/zinc/87/58/71/714875871.db2.gz ZLKBSXHTSFESBI-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC000971675589 714875872 /nfs/dbraw/zinc/87/58/72/714875872.db2.gz ZLKBSXHTSFESBI-IBGZPJMESA-N 1 3 343.515 2.820 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688249 714883414 /nfs/dbraw/zinc/88/34/14/714883414.db2.gz VAJMPSKJXNAUTH-UYAOXDASSA-N 1 3 341.499 2.691 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000971688249 714883416 /nfs/dbraw/zinc/88/34/16/714883416.db2.gz VAJMPSKJXNAUTH-UYAOXDASSA-N 1 3 341.499 2.691 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000971688217 714883539 /nfs/dbraw/zinc/88/35/39/714883539.db2.gz UERSMQNTOWXOSR-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000971688217 714883540 /nfs/dbraw/zinc/88/35/40/714883540.db2.gz UERSMQNTOWXOSR-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685734 714884939 /nfs/dbraw/zinc/88/49/39/714884939.db2.gz OSIQQHRQJHCXKT-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685734 714884942 /nfs/dbraw/zinc/88/49/42/714884942.db2.gz OSIQQHRQJHCXKT-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685434 714884959 /nfs/dbraw/zinc/88/49/59/714884959.db2.gz MDTJQJROINFIOD-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685434 714884961 /nfs/dbraw/zinc/88/49/61/714884961.db2.gz MDTJQJROINFIOD-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685739 714885007 /nfs/dbraw/zinc/88/50/07/714885007.db2.gz OVOVHUFGZWJVDZ-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000971685739 714885009 /nfs/dbraw/zinc/88/50/09/714885009.db2.gz OVOVHUFGZWJVDZ-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685436 714885074 /nfs/dbraw/zinc/88/50/74/714885074.db2.gz MDTJQJROINFIOD-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685436 714885077 /nfs/dbraw/zinc/88/50/77/714885077.db2.gz MDTJQJROINFIOD-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685733 714885202 /nfs/dbraw/zinc/88/52/02/714885202.db2.gz OSIQQHRQJHCXKT-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CC1 ZINC000971685733 714885204 /nfs/dbraw/zinc/88/52/04/714885204.db2.gz OSIQQHRQJHCXKT-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC000971686270 714885708 /nfs/dbraw/zinc/88/57/08/714885708.db2.gz BOTLLSMXWRGODJ-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC000971686270 714885711 /nfs/dbraw/zinc/88/57/11/714885711.db2.gz BOTLLSMXWRGODJ-LJQANCHMSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686284 714885742 /nfs/dbraw/zinc/88/57/42/714885742.db2.gz CBOYNZCQCGLWIU-HXUWFJFHSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971686284 714885745 /nfs/dbraw/zinc/88/57/45/714885745.db2.gz CBOYNZCQCGLWIU-HXUWFJFHSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000971686248 714885919 /nfs/dbraw/zinc/88/59/19/714885919.db2.gz BBHOIDYNDGNBFS-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC000971686248 714885921 /nfs/dbraw/zinc/88/59/21/714885921.db2.gz BBHOIDYNDGNBFS-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689436 714887965 /nfs/dbraw/zinc/88/79/65/714887965.db2.gz ICVVTYOEVJEBLZ-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689436 714887967 /nfs/dbraw/zinc/88/79/67/714887967.db2.gz ICVVTYOEVJEBLZ-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971729694 714919278 /nfs/dbraw/zinc/91/92/78/714919278.db2.gz MSNRZYMIFZCVBX-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000971729694 714919283 /nfs/dbraw/zinc/91/92/83/714919283.db2.gz MSNRZYMIFZCVBX-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971737528 714922791 /nfs/dbraw/zinc/92/27/91/714922791.db2.gz YLHKDNBSVWSKKM-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971737528 714922793 /nfs/dbraw/zinc/92/27/93/714922793.db2.gz YLHKDNBSVWSKKM-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000971778533 714957068 /nfs/dbraw/zinc/95/70/68/714957068.db2.gz OKTRSWRZTFQQJJ-FUHWJXTLSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000971778533 714957069 /nfs/dbraw/zinc/95/70/69/714957069.db2.gz OKTRSWRZTFQQJJ-FUHWJXTLSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000971779439 714957550 /nfs/dbraw/zinc/95/75/50/714957550.db2.gz RGDVYVZICRKHES-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000971779439 714957552 /nfs/dbraw/zinc/95/75/52/714957552.db2.gz RGDVYVZICRKHES-VQTJNVASSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000971785086 714958588 /nfs/dbraw/zinc/95/85/88/714958588.db2.gz QRNMPQLUFPOTSV-IAGOWNOFSA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000971785086 714958589 /nfs/dbraw/zinc/95/85/89/714958589.db2.gz QRNMPQLUFPOTSV-IAGOWNOFSA-N 1 3 337.895 2.713 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801741 714994280 /nfs/dbraw/zinc/99/42/80/714994280.db2.gz UWLXFAKCRMZVEZ-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801741 714994283 /nfs/dbraw/zinc/99/42/83/714994283.db2.gz UWLXFAKCRMZVEZ-MSOLQXFVSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](c1ccccc1)N(C)C ZINC000891894583 715098098 /nfs/dbraw/zinc/09/80/98/715098098.db2.gz OWYNGVXJROGNKN-FDMITFGQSA-N 1 3 344.503 2.508 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035084 715227394 /nfs/dbraw/zinc/22/73/94/715227394.db2.gz XYTNUZJIEMVQRX-VQIMIIECSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035084 715227396 /nfs/dbraw/zinc/22/73/96/715227396.db2.gz XYTNUZJIEMVQRX-VQIMIIECSA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035084 715227397 /nfs/dbraw/zinc/22/73/97/715227397.db2.gz XYTNUZJIEMVQRX-VQIMIIECSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035082 715227447 /nfs/dbraw/zinc/22/74/47/715227447.db2.gz XYTNUZJIEMVQRX-LPHOPBHVSA-N 1 3 339.524 2.907 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035082 715227449 /nfs/dbraw/zinc/22/74/49/715227449.db2.gz XYTNUZJIEMVQRX-LPHOPBHVSA-N 1 3 339.524 2.907 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000892035082 715227451 /nfs/dbraw/zinc/22/74/51/715227451.db2.gz XYTNUZJIEMVQRX-LPHOPBHVSA-N 1 3 339.524 2.907 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022595806 715242215 /nfs/dbraw/zinc/24/22/15/715242215.db2.gz AVJRQXHVFWGMBX-NXNVCVFFSA-N 1 3 349.906 2.807 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001022595806 715242216 /nfs/dbraw/zinc/24/22/16/715242216.db2.gz AVJRQXHVFWGMBX-NXNVCVFFSA-N 1 3 349.906 2.807 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042531 715336736 /nfs/dbraw/zinc/33/67/36/715336736.db2.gz HLAUKCCGGIAHJG-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001027042792 715337459 /nfs/dbraw/zinc/33/74/59/715337459.db2.gz NXEWLEADLHQEHE-RBUKOAKNSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027042767 715337626 /nfs/dbraw/zinc/33/76/26/715337626.db2.gz NJVAGYFTERFVPY-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027043943 715340529 /nfs/dbraw/zinc/34/05/29/715340529.db2.gz OWMMXEJBLFOVFB-IEBWSBKVSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001027044718 715341911 /nfs/dbraw/zinc/34/19/11/715341911.db2.gz COOMSFNGCNSKII-UYAOXDASSA-N 1 3 345.531 2.828 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000895904378 724385947 /nfs/dbraw/zinc/38/59/47/724385947.db2.gz ULBAOTYPIGUMRG-CRAIPNDOSA-N 1 3 335.492 2.581 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](NC(C)C)c1ccc(OC)cc1 ZINC000895904382 724386084 /nfs/dbraw/zinc/38/60/84/724386084.db2.gz ULBAOTYPIGUMRG-YJBOKZPZSA-N 1 3 335.492 2.581 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001022710551 715397896 /nfs/dbraw/zinc/39/78/96/715397896.db2.gz JIZLUPVURLOXBK-QRQLOZEOSA-N 1 3 329.488 2.525 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001022711345 715406537 /nfs/dbraw/zinc/40/65/37/715406537.db2.gz XMNQYJJRICQZRG-JTDSTZFVSA-N 1 3 339.499 2.626 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038238200 715407318 /nfs/dbraw/zinc/40/73/18/715407318.db2.gz GFZIVKXSGZQSQI-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038238200 715407321 /nfs/dbraw/zinc/40/73/21/715407321.db2.gz GFZIVKXSGZQSQI-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001022712397 715408439 /nfs/dbraw/zinc/40/84/39/715408439.db2.gz QCECXSSVHJVXRI-KUZCPNRJSA-N 1 3 345.462 2.534 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001022711626 715409150 /nfs/dbraw/zinc/40/91/50/715409150.db2.gz CHCFZUDOEGPPOS-BMFZPTHFSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC001022712024 715409924 /nfs/dbraw/zinc/40/99/24/715409924.db2.gz IMPFTFOEXYVEGI-OIISXLGYSA-N 1 3 349.906 2.604 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001022711963 715410056 /nfs/dbraw/zinc/41/00/56/715410056.db2.gz HAJMHHCPNNPXCK-XYPHTWIQSA-N 1 3 335.879 2.561 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712512 715411589 /nfs/dbraw/zinc/41/15/89/715411589.db2.gz RQXVWUOVZARKTQ-HRCADAONSA-N 1 3 349.906 2.870 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001022713025 715413915 /nfs/dbraw/zinc/41/39/15/715413915.db2.gz HIKQXLKXVMESIF-GDAAHCPNSA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063518 715416094 /nfs/dbraw/zinc/41/60/94/715416094.db2.gz MUQXSWZSRSFNPA-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001027063576 715416511 /nfs/dbraw/zinc/41/65/11/715416511.db2.gz NTBBHLBFVNASCT-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063957 715417476 /nfs/dbraw/zinc/41/74/76/715417476.db2.gz WCHQIUFJAQPXFC-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001027064295 715418009 /nfs/dbraw/zinc/41/80/09/715418009.db2.gz BCWISXCQXQRCPS-JXFKEZNVSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064578 715418158 /nfs/dbraw/zinc/41/81/58/715418158.db2.gz HDJBQNYZBHBBES-LPHOPBHVSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001022713904 715419373 /nfs/dbraw/zinc/41/93/73/715419373.db2.gz NAEGCABSYULWRR-NONVJHHQSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC001027065205 715419868 /nfs/dbraw/zinc/41/98/68/715419868.db2.gz SRJWHVSALMCMGK-MJGOQNOKSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001027065619 715421371 /nfs/dbraw/zinc/42/13/71/715421371.db2.gz BUNPSBFHGLXQFZ-LJQANCHMSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001027065404 715421433 /nfs/dbraw/zinc/42/14/33/715421433.db2.gz YATQOBOGPNKSDW-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001027065406 715421499 /nfs/dbraw/zinc/42/14/99/715421499.db2.gz YATQOBOGPNKSDW-PKOBYXMFSA-N 1 3 349.563 2.983 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022714686 715421714 /nfs/dbraw/zinc/42/17/14/715421714.db2.gz YRSJNLMAZBKFHL-YTQUADARSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001022714698 715421726 /nfs/dbraw/zinc/42/17/26/715421726.db2.gz YWRHOWXUBDPXPI-DSLXNQLJSA-N 1 3 343.515 2.943 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)cc1 ZINC000974991237 715422938 /nfs/dbraw/zinc/42/29/38/715422938.db2.gz CDPOVIUSFUPRQI-IBGZPJMESA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc4ccccc4o3)C2)C1 ZINC001022715494 715426509 /nfs/dbraw/zinc/42/65/09/715426509.db2.gz JHUBWLAXENKMBP-BHYGNILZSA-N 1 3 341.455 2.511 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001022715711 715430181 /nfs/dbraw/zinc/43/01/81/715430181.db2.gz KXPVBEVMBILDKI-NXHRZFHOSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001022715749 715430788 /nfs/dbraw/zinc/43/07/88/715430788.db2.gz LJIBOGPLOBLULL-FFZOFVMBSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001022716717 715433784 /nfs/dbraw/zinc/43/37/84/715433784.db2.gz GNTHMCBDRNDSKB-KDURUIRLSA-N 1 3 343.515 2.506 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC001022717063 715434946 /nfs/dbraw/zinc/43/49/46/715434946.db2.gz OLRFZJWKROVOKE-IYBDPMFKSA-N 1 3 335.517 2.525 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001022717411 715436690 /nfs/dbraw/zinc/43/66/90/715436690.db2.gz WESKPGKOOYBDDI-KDURUIRLSA-N 1 3 343.515 2.772 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331252 715466098 /nfs/dbraw/zinc/46/60/98/715466098.db2.gz DTRXOPKTNZXHOR-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC001027331252 715466100 /nfs/dbraw/zinc/46/61/00/715466100.db2.gz DTRXOPKTNZXHOR-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001027334767 715467551 /nfs/dbraw/zinc/46/75/51/715467551.db2.gz URUNWFFWNBGRMW-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001027334767 715467555 /nfs/dbraw/zinc/46/75/55/715467555.db2.gz URUNWFFWNBGRMW-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cs1 ZINC000972177964 715481862 /nfs/dbraw/zinc/48/18/62/715481862.db2.gz UUZCRYGORITLDA-JCGIZDLHSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cs1 ZINC000972177964 715481864 /nfs/dbraw/zinc/48/18/64/715481864.db2.gz UUZCRYGORITLDA-JCGIZDLHSA-N 1 3 349.544 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001027070148 715493988 /nfs/dbraw/zinc/49/39/88/715493988.db2.gz KJXDUKSGGXDYPP-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001027070058 715494032 /nfs/dbraw/zinc/49/40/32/715494032.db2.gz HNUGEDMLLUHXKO-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001027070514 715494542 /nfs/dbraw/zinc/49/45/42/715494542.db2.gz SIOOOXQNFCHXRO-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC001027091545 715545529 /nfs/dbraw/zinc/54/55/29/715545529.db2.gz OYVANMABKJFYHV-QGZVFWFLSA-N 1 3 348.450 2.744 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001027091626 715545793 /nfs/dbraw/zinc/54/57/93/715545793.db2.gz QVDOIVJDMHCQQJ-AWEZNQCLSA-N 1 3 348.397 2.528 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972232852 715568715 /nfs/dbraw/zinc/56/87/15/715568715.db2.gz UPZYSKLWGBOLJZ-KXBFYZLASA-N 1 3 347.478 2.761 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000972231503 715569571 /nfs/dbraw/zinc/56/95/71/715569571.db2.gz GKXKHICHMIFHGV-GOSISDBHSA-N 1 3 349.544 2.739 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001027139100 715682213 /nfs/dbraw/zinc/68/22/13/715682213.db2.gz AHDYTCZHHOXKAF-KRWDZBQOSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001027139326 715682996 /nfs/dbraw/zinc/68/29/96/715682996.db2.gz GFMAVRNMOZSJEZ-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000972329996 715697730 /nfs/dbraw/zinc/69/77/30/715697730.db2.gz CTTAPUJOWKYYGB-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000972329996 715697733 /nfs/dbraw/zinc/69/77/33/715697733.db2.gz CTTAPUJOWKYYGB-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332024 715702033 /nfs/dbraw/zinc/70/20/33/715702033.db2.gz ACZHCUDRCLRANM-YJBOKZPZSA-N 1 3 349.906 2.715 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N(C)Cc3cccc(Cl)c3)C2)C1 ZINC000972332024 715702035 /nfs/dbraw/zinc/70/20/35/715702035.db2.gz ACZHCUDRCLRANM-YJBOKZPZSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1F ZINC000972330777 715702268 /nfs/dbraw/zinc/70/22/68/715702268.db2.gz HCXMJNVLUZDZCM-WMZOPIPTSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1F ZINC000972330777 715702271 /nfs/dbraw/zinc/70/22/71/715702271.db2.gz HCXMJNVLUZDZCM-WMZOPIPTSA-N 1 3 347.478 2.651 20 0 EFADHO C[N@H+](CCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410477 715702923 /nfs/dbraw/zinc/70/29/23/715702923.db2.gz DWYOSNJECOSXIJ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001027410477 715702927 /nfs/dbraw/zinc/70/29/27/715702927.db2.gz DWYOSNJECOSXIJ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000972332730 715705936 /nfs/dbraw/zinc/70/59/36/715705936.db2.gz QXHJMAQLDTXLMF-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000972332730 715705940 /nfs/dbraw/zinc/70/59/40/715705940.db2.gz QXHJMAQLDTXLMF-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO C[N@H+](CCC1CC1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334502 715708557 /nfs/dbraw/zinc/70/85/57/715708557.db2.gz HOEJBYXHZRTWQU-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CCC1CC1)[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334502 715708559 /nfs/dbraw/zinc/70/85/59/715708559.db2.gz HOEJBYXHZRTWQU-LPHOPBHVSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334812 715708885 /nfs/dbraw/zinc/70/88/85/715708885.db2.gz KYNMKSSYTJDPJE-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334812 715708889 /nfs/dbraw/zinc/70/88/89/715708889.db2.gz KYNMKSSYTJDPJE-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336325 715712270 /nfs/dbraw/zinc/71/22/70/715712270.db2.gz WPGGMFFPZDKYRM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336325 715712275 /nfs/dbraw/zinc/71/22/75/715712275.db2.gz WPGGMFFPZDKYRM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)cs1 ZINC000972340709 715718348 /nfs/dbraw/zinc/71/83/48/715718348.db2.gz SNTKFTCCADCMRR-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)cs1 ZINC000972340709 715718351 /nfs/dbraw/zinc/71/83/51/715718351.db2.gz SNTKFTCCADCMRR-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3C(C)C)C2)c1 ZINC001022808227 715728978 /nfs/dbraw/zinc/72/89/78/715728978.db2.gz RKWBMUWMRKMQMS-ZCNNSNEGSA-N 1 3 343.515 2.995 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001027416704 715729439 /nfs/dbraw/zinc/72/94/39/715729439.db2.gz JZTXJUDSUHRCKY-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001027416704 715729442 /nfs/dbraw/zinc/72/94/42/715729442.db2.gz JZTXJUDSUHRCKY-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022808121 715730034 /nfs/dbraw/zinc/73/00/34/715730034.db2.gz PZPXFROXXPMMDZ-CEXWTWQISA-N 1 3 333.520 2.987 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001022808444 715730038 /nfs/dbraw/zinc/73/00/38/715730038.db2.gz VXBBEEYAORRGES-ZCNNSNEGSA-N 1 3 343.515 2.729 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2ccccc2F)C1)[NH+]1CCCCCC1 ZINC001022808189 715730049 /nfs/dbraw/zinc/73/00/49/715730049.db2.gz QQHNOEHLHZDLOZ-RYQLBKOJSA-N 1 3 347.478 2.827 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000972352389 715736537 /nfs/dbraw/zinc/73/65/37/715736537.db2.gz BSSIIQLWLIXKHA-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000972352389 715736539 /nfs/dbraw/zinc/73/65/39/715736539.db2.gz BSSIIQLWLIXKHA-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000972352952 715737844 /nfs/dbraw/zinc/73/78/44/715737844.db2.gz DVJHGHVSFPGDAN-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000972352952 715737847 /nfs/dbraw/zinc/73/78/47/715737847.db2.gz DVJHGHVSFPGDAN-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444292 715820374 /nfs/dbraw/zinc/82/03/74/715820374.db2.gz QTPHPCPHOHARQE-OALUTQOASA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444292 715820378 /nfs/dbraw/zinc/82/03/78/715820378.db2.gz QTPHPCPHOHARQE-OALUTQOASA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445072 715822048 /nfs/dbraw/zinc/82/20/48/715822048.db2.gz ZHOJCYRUDURQCX-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445072 715822051 /nfs/dbraw/zinc/82/20/51/715822051.db2.gz ZHOJCYRUDURQCX-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027452364 715852068 /nfs/dbraw/zinc/85/20/68/715852068.db2.gz NFELKVIMTJDHHJ-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027452364 715852070 /nfs/dbraw/zinc/85/20/70/715852070.db2.gz NFELKVIMTJDHHJ-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425713 715878374 /nfs/dbraw/zinc/87/83/74/715878374.db2.gz HRKZHOHNUQAPMR-FUHWJXTLSA-N 1 3 340.471 2.863 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425713 715878382 /nfs/dbraw/zinc/87/83/82/715878382.db2.gz HRKZHOHNUQAPMR-FUHWJXTLSA-N 1 3 340.471 2.863 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425717 715878742 /nfs/dbraw/zinc/87/87/42/715878742.db2.gz HRKZHOHNUQAPMR-SJLPKXTDSA-N 1 3 340.471 2.863 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000972425717 715878747 /nfs/dbraw/zinc/87/87/47/715878747.db2.gz HRKZHOHNUQAPMR-SJLPKXTDSA-N 1 3 340.471 2.863 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001027217462 715921618 /nfs/dbraw/zinc/92/16/18/715921618.db2.gz LGPZZWGIRCYMBH-XLIONFOSSA-N 1 3 341.499 2.598 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001027217393 715921759 /nfs/dbraw/zinc/92/17/59/715921759.db2.gz JRKWVESDJQBIPK-HOTGVXAUSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027218055 715922053 /nfs/dbraw/zinc/92/20/53/715922053.db2.gz WVAOQKRDNMXRIA-RBUKOAKNSA-N 1 3 343.515 2.898 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000985467735 724435424 /nfs/dbraw/zinc/43/54/24/724435424.db2.gz NADKKRJBRGBHQB-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000985467735 724435426 /nfs/dbraw/zinc/43/54/26/724435426.db2.gz NADKKRJBRGBHQB-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001027235899 715950206 /nfs/dbraw/zinc/95/02/06/715950206.db2.gz YANVDWQHEAAJPI-AEFFLSMTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027235061 715958049 /nfs/dbraw/zinc/95/80/49/715958049.db2.gz JMCXKVOGEHNVIG-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001027235297 715958072 /nfs/dbraw/zinc/95/80/72/715958072.db2.gz OTRNKJACIZLBGD-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC000985469546 724439382 /nfs/dbraw/zinc/43/93/82/724439382.db2.gz GBDSIRNJJYAMAP-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1)C1CC1 ZINC000985469546 724439383 /nfs/dbraw/zinc/43/93/83/724439383.db2.gz GBDSIRNJJYAMAP-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC000985468102 724440366 /nfs/dbraw/zinc/44/03/66/724440366.db2.gz PKHJOFHCETYRCU-KRWDZBQOSA-N 1 3 335.517 2.511 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1)C1CC1 ZINC000985468102 724440367 /nfs/dbraw/zinc/44/03/67/724440367.db2.gz PKHJOFHCETYRCU-KRWDZBQOSA-N 1 3 335.517 2.511 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cs1 ZINC000985468211 724440588 /nfs/dbraw/zinc/44/05/88/724440588.db2.gz SFPSVJASDNDPPK-SFHVURJKSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cs1 ZINC000985468211 724440589 /nfs/dbraw/zinc/44/05/89/724440589.db2.gz SFPSVJASDNDPPK-SFHVURJKSA-N 1 3 349.544 2.820 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000985468480 724441655 /nfs/dbraw/zinc/44/16/55/724441655.db2.gz VLEJGCRKHUJTOQ-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000985468480 724441656 /nfs/dbraw/zinc/44/16/56/724441656.db2.gz VLEJGCRKHUJTOQ-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038248807 716013673 /nfs/dbraw/zinc/01/36/73/716013673.db2.gz PSKBMNNEJXTGIC-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038248807 716013678 /nfs/dbraw/zinc/01/36/78/716013678.db2.gz PSKBMNNEJXTGIC-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000972486987 716037140 /nfs/dbraw/zinc/03/71/40/716037140.db2.gz YMPMEPPIOBYOAF-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972486987 716037145 /nfs/dbraw/zinc/03/71/45/716037145.db2.gz YMPMEPPIOBYOAF-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CCC2)CC1 ZINC001029173470 722941769 /nfs/dbraw/zinc/94/17/69/722941769.db2.gz QYNBEUKGXGOVGH-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001023123332 716162399 /nfs/dbraw/zinc/16/23/99/716162399.db2.gz SSFMLTAKIMLQHT-CADBVGFASA-N 1 3 343.515 2.913 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001023124313 716163070 /nfs/dbraw/zinc/16/30/70/716163070.db2.gz FPKYKUDCWBBWHK-FDCRZUCXSA-N 1 3 347.478 2.766 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3CC)C2)cc1 ZINC001023128689 716165183 /nfs/dbraw/zinc/16/51/83/716165183.db2.gz OTLNZBANQQXWLA-HSALFYBXSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001023128723 716165210 /nfs/dbraw/zinc/16/52/10/716165210.db2.gz QCQQDIFBQRFQGX-OTWHNJEPSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001023128751 716165342 /nfs/dbraw/zinc/16/53/42/716165342.db2.gz QXJJYNAHCHYKJN-CEXWTWQISA-N 1 3 329.488 2.606 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001023130293 716165788 /nfs/dbraw/zinc/16/57/88/716165788.db2.gz HXPBMJFZPUXCTF-CALCHBBNSA-N 1 3 343.496 2.860 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)c1 ZINC001023130355 716165860 /nfs/dbraw/zinc/16/58/60/716165860.db2.gz KKDDDMSMHGDSRH-ZCNNSNEGSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001023130847 716166119 /nfs/dbraw/zinc/16/61/19/716166119.db2.gz IZSDMNVSUJRILY-ZCNNSNEGSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001023130986 716166141 /nfs/dbraw/zinc/16/61/41/716166141.db2.gz QXAQSIAMKWJTKV-ZCNNSNEGSA-N 1 3 343.515 2.649 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001023130957 716166196 /nfs/dbraw/zinc/16/61/96/716166196.db2.gz PJWQGGZLSYOPOR-FGTMMUONSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023130867 716166234 /nfs/dbraw/zinc/16/62/34/716166234.db2.gz JYDHHKJDILVJBR-FGTMMUONSA-N 1 3 333.520 2.678 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001023130846 716166247 /nfs/dbraw/zinc/16/62/47/716166247.db2.gz IZSDMNVSUJRILY-HSALFYBXSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001023130905 716166305 /nfs/dbraw/zinc/16/63/05/716166305.db2.gz LRFVELWLBLTKJM-KVPLUYHFSA-N 1 3 341.499 2.785 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429006 716212921 /nfs/dbraw/zinc/21/29/21/716212921.db2.gz QTWOBQLDUSLZRR-GOSISDBHSA-N 1 3 335.536 2.900 20 0 EFADHO C[C@@H](c1ccccc1)N1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977494388 716265106 /nfs/dbraw/zinc/26/51/06/716265106.db2.gz CDJKQBXVZGDANN-WMZOPIPTSA-N 1 3 341.499 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977494382 716265149 /nfs/dbraw/zinc/26/51/49/716265149.db2.gz CDJKQBXVZGDANN-SJLPKXTDSA-N 1 3 341.499 2.670 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038270118 716375206 /nfs/dbraw/zinc/37/52/06/716375206.db2.gz WHKQDGYEMKCMTK-GBESFXJTSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038270118 716375212 /nfs/dbraw/zinc/37/52/12/716375212.db2.gz WHKQDGYEMKCMTK-GBESFXJTSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023365207 716384638 /nfs/dbraw/zinc/38/46/38/716384638.db2.gz ZKEVPJREVRQJJS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023365207 716384643 /nfs/dbraw/zinc/38/46/43/716384643.db2.gz ZKEVPJREVRQJJS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365240 716385198 /nfs/dbraw/zinc/38/51/98/716385198.db2.gz AKRUJMQYKWEOBZ-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365240 716385200 /nfs/dbraw/zinc/38/52/00/716385200.db2.gz AKRUJMQYKWEOBZ-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365242 716385340 /nfs/dbraw/zinc/38/53/40/716385340.db2.gz AKRUJMQYKWEOBZ-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001023365242 716385346 /nfs/dbraw/zinc/38/53/46/716385346.db2.gz AKRUJMQYKWEOBZ-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605421 716391532 /nfs/dbraw/zinc/39/15/32/716391532.db2.gz YBCDAFWDABDLKW-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605421 716391537 /nfs/dbraw/zinc/39/15/37/716391537.db2.gz YBCDAFWDABDLKW-RTBURBONSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001023380561 716399991 /nfs/dbraw/zinc/39/99/91/716399991.db2.gz BZXCAHQCWUHCMA-BPQIPLTHSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001023380561 716399995 /nfs/dbraw/zinc/39/99/95/716399995.db2.gz BZXCAHQCWUHCMA-BPQIPLTHSA-N 1 3 349.544 2.807 20 0 EFADHO CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977621975 716421980 /nfs/dbraw/zinc/42/19/80/716421980.db2.gz LYZDLLNFIPTAFN-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977621975 716421984 /nfs/dbraw/zinc/42/19/84/716421984.db2.gz LYZDLLNFIPTAFN-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001023402181 716423393 /nfs/dbraw/zinc/42/33/93/716423393.db2.gz HVGZEQWBDOLESY-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001023402181 716423395 /nfs/dbraw/zinc/42/33/95/716423395.db2.gz HVGZEQWBDOLESY-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402694 716423542 /nfs/dbraw/zinc/42/35/42/716423542.db2.gz QYIYZZXGSNNIQT-CABCVRRESA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001023402694 716423545 /nfs/dbraw/zinc/42/35/45/716423545.db2.gz QYIYZZXGSNNIQT-CABCVRRESA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793963 716439616 /nfs/dbraw/zinc/43/96/16/716439616.db2.gz DGPADJXTPCOQDC-AKHDSKFASA-N 1 3 333.520 2.510 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978793963 716439620 /nfs/dbraw/zinc/43/96/20/716439620.db2.gz DGPADJXTPCOQDC-AKHDSKFASA-N 1 3 333.520 2.510 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978796585 716467547 /nfs/dbraw/zinc/46/75/47/716467547.db2.gz JLHUHOKFRYGDCA-YSTOQKLRSA-N 1 3 349.563 2.980 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978796585 716467550 /nfs/dbraw/zinc/46/75/50/716467550.db2.gz JLHUHOKFRYGDCA-YSTOQKLRSA-N 1 3 349.563 2.980 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001027681355 716509269 /nfs/dbraw/zinc/50/92/69/716509269.db2.gz VBNBVLLOEOVYSL-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001027681355 716509274 /nfs/dbraw/zinc/50/92/74/716509274.db2.gz VBNBVLLOEOVYSL-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681467 716510410 /nfs/dbraw/zinc/51/04/10/716510410.db2.gz XMKDYYWSPQOKOC-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681467 716510413 /nfs/dbraw/zinc/51/04/13/716510413.db2.gz XMKDYYWSPQOKOC-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027692818 716542365 /nfs/dbraw/zinc/54/23/65/716542365.db2.gz APZZBESKVKEASG-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027692818 716542369 /nfs/dbraw/zinc/54/23/69/716542369.db2.gz APZZBESKVKEASG-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1)[NH+](C)C ZINC001027561962 716567459 /nfs/dbraw/zinc/56/74/59/716567459.db2.gz GWTIGTRIYHLEHW-RBUKOAKNSA-N 1 3 349.494 2.835 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000978948524 716595750 /nfs/dbraw/zinc/59/57/50/716595750.db2.gz JBYOUPKYSDRTBN-YSTOQKLRSA-N 1 3 349.563 2.981 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000978948524 716595753 /nfs/dbraw/zinc/59/57/53/716595753.db2.gz JBYOUPKYSDRTBN-YSTOQKLRSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027563843 716606558 /nfs/dbraw/zinc/60/65/58/716606558.db2.gz OKAKSTZNXBCEIK-HZPDHXFCSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027563843 716606561 /nfs/dbraw/zinc/60/65/61/716606561.db2.gz OKAKSTZNXBCEIK-HZPDHXFCSA-N 1 3 345.478 2.541 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)CC[N@@H+]1C ZINC001023555372 716620846 /nfs/dbraw/zinc/62/08/46/716620846.db2.gz WKCZVUYJHKXFHY-BQFCYCMXSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ccsc3)C2)CC[N@H+]1C ZINC001023555372 716620848 /nfs/dbraw/zinc/62/08/48/716620848.db2.gz WKCZVUYJHKXFHY-BQFCYCMXSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001027575525 716685839 /nfs/dbraw/zinc/68/58/39/716685839.db2.gz AXMXSPABEAYYRB-AZUAARDMSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001027575525 716685841 /nfs/dbraw/zinc/68/58/41/716685841.db2.gz AXMXSPABEAYYRB-AZUAARDMSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576912 716700679 /nfs/dbraw/zinc/70/06/79/716700679.db2.gz ZMTDPDUXEIWSIX-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576912 716700683 /nfs/dbraw/zinc/70/06/83/716700683.db2.gz ZMTDPDUXEIWSIX-LPHOPBHVSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576425 716713587 /nfs/dbraw/zinc/71/35/87/716713587.db2.gz OTRGPAMCNANHLD-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027576425 716713592 /nfs/dbraw/zinc/71/35/92/716713592.db2.gz OTRGPAMCNANHLD-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000972611629 716721023 /nfs/dbraw/zinc/72/10/23/716721023.db2.gz DPARVQPAJIHXGO-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)CC1 ZINC000972611629 716721029 /nfs/dbraw/zinc/72/10/29/716721029.db2.gz DPARVQPAJIHXGO-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027578022 716729112 /nfs/dbraw/zinc/72/91/12/716729112.db2.gz AFISQWPBHIPGNO-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027578022 716729115 /nfs/dbraw/zinc/72/91/15/716729115.db2.gz AFISQWPBHIPGNO-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027578491 716732349 /nfs/dbraw/zinc/73/23/49/716732349.db2.gz LPKVDYSFRVHBLQ-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027578491 716732354 /nfs/dbraw/zinc/73/23/54/716732354.db2.gz LPKVDYSFRVHBLQ-MOPGFXCFSA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023633251 716746435 /nfs/dbraw/zinc/74/64/35/716746435.db2.gz VQXXLCVOUMRQKM-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023633251 716746440 /nfs/dbraw/zinc/74/64/40/716746440.db2.gz VQXXLCVOUMRQKM-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646150 716766495 /nfs/dbraw/zinc/76/64/95/716766495.db2.gz IUYXSQKVVZNUEY-MJGOQNOKSA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027583765 716780406 /nfs/dbraw/zinc/78/04/06/716780406.db2.gz ZSNJLOJOMONKEZ-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027583765 716780412 /nfs/dbraw/zinc/78/04/12/716780412.db2.gz ZSNJLOJOMONKEZ-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027583664 716792883 /nfs/dbraw/zinc/79/28/83/716792883.db2.gz YLFCKFDWACIZHX-OALUTQOASA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001027583664 716792886 /nfs/dbraw/zinc/79/28/86/716792886.db2.gz YLFCKFDWACIZHX-OALUTQOASA-N 1 3 349.494 2.919 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000978142948 716839366 /nfs/dbraw/zinc/83/93/66/716839366.db2.gz JRHZMJWEQPKBEL-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000978142948 716839370 /nfs/dbraw/zinc/83/93/70/716839370.db2.gz JRHZMJWEQPKBEL-YSTOQKLRSA-N 1 3 347.547 2.734 20 0 EFADHO COc1ccc([C@H](CO)CNC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000926573987 716868474 /nfs/dbraw/zinc/86/84/74/716868474.db2.gz RADDHYHWCNHRFA-SFHVURJKSA-N 1 3 334.504 2.871 20 0 EFADHO COc1ccc([C@H](CO)C[NH2+]C2CCN(CCC(C)C)CC2)cc1 ZINC000926573987 716868476 /nfs/dbraw/zinc/86/84/76/716868476.db2.gz RADDHYHWCNHRFA-SFHVURJKSA-N 1 3 334.504 2.871 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CCC3)C2)c1 ZINC001023762531 716977574 /nfs/dbraw/zinc/97/75/74/716977574.db2.gz ZBKXBKNUMMCKKX-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001023762531 716977578 /nfs/dbraw/zinc/97/75/78/716977578.db2.gz ZBKXBKNUMMCKKX-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001023763734 716978067 /nfs/dbraw/zinc/97/80/67/716978067.db2.gz ZWBIWIQGBNCHOL-LSDHHAIUSA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001023763734 716978072 /nfs/dbraw/zinc/97/80/72/716978072.db2.gz ZWBIWIQGBNCHOL-LSDHHAIUSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC000972733411 717163329 /nfs/dbraw/zinc/16/33/29/717163329.db2.gz QEGNFWIHBPVKQM-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC000972733411 717163330 /nfs/dbraw/zinc/16/33/30/717163330.db2.gz QEGNFWIHBPVKQM-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972741225 717172773 /nfs/dbraw/zinc/17/27/73/717172773.db2.gz XGJWHNDELRIMPR-QAPCUYQASA-N 1 3 345.462 2.515 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972741226 717172926 /nfs/dbraw/zinc/17/29/26/717172926.db2.gz XGJWHNDELRIMPR-YJBOKZPZSA-N 1 3 345.462 2.515 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001024016533 717209145 /nfs/dbraw/zinc/20/91/45/717209145.db2.gz IAYCZBAFYMJMAU-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404826 717217731 /nfs/dbraw/zinc/21/77/31/717217731.db2.gz DDNMVWHFSXTXKR-HXUWFJFHSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404826 717217733 /nfs/dbraw/zinc/21/77/33/717217733.db2.gz DDNMVWHFSXTXKR-HXUWFJFHSA-N 1 3 341.499 2.693 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980405177 717219136 /nfs/dbraw/zinc/21/91/36/717219136.db2.gz GNISTILVUSWDJE-LJQANCHMSA-N 1 3 343.515 2.740 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980405177 717219139 /nfs/dbraw/zinc/21/91/39/717219139.db2.gz GNISTILVUSWDJE-LJQANCHMSA-N 1 3 343.515 2.740 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001024018074 717219385 /nfs/dbraw/zinc/21/93/85/717219385.db2.gz KCZCVRHDZBOKCH-ICSRJNTNSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001024018669 717219890 /nfs/dbraw/zinc/21/98/90/717219890.db2.gz QYEQTDBSPNMHDL-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CCC1 ZINC001024018335 717220097 /nfs/dbraw/zinc/22/00/97/717220097.db2.gz MUMWXFYOCQUZMI-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406699 717220648 /nfs/dbraw/zinc/22/06/48/717220648.db2.gz RCBLEANKWPYQOS-OALUTQOASA-N 1 3 343.515 2.993 20 0 EFADHO Cc1ccc(C)c([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000980406699 717220655 /nfs/dbraw/zinc/22/06/55/717220655.db2.gz RCBLEANKWPYQOS-OALUTQOASA-N 1 3 343.515 2.993 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408424 717222937 /nfs/dbraw/zinc/22/29/37/717222937.db2.gz JNMPIMHAYPAUAN-MAUKXSAKSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408424 717222939 /nfs/dbraw/zinc/22/29/39/717222939.db2.gz JNMPIMHAYPAUAN-MAUKXSAKSA-N 1 3 333.451 2.515 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001024019406 717227685 /nfs/dbraw/zinc/22/76/85/717227685.db2.gz YVJNQWMYPILYIZ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001024038221 717248633 /nfs/dbraw/zinc/24/86/33/717248633.db2.gz FJVSNGLGSYJQCP-RTBURBONSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001024039145 717249594 /nfs/dbraw/zinc/24/95/94/717249594.db2.gz PXASXOZZILGLBA-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001024039558 717250094 /nfs/dbraw/zinc/25/00/94/717250094.db2.gz YQDATSAGUBQZHO-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000980473166 717311983 /nfs/dbraw/zinc/31/19/83/717311983.db2.gz ZGZQDXAMLNLRKP-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000980473166 717311986 /nfs/dbraw/zinc/31/19/86/717311986.db2.gz ZGZQDXAMLNLRKP-OUNSHVDWSA-N 1 3 343.515 2.941 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475611 717315738 /nfs/dbraw/zinc/31/57/38/717315738.db2.gz HQZDXEYUWKTSNM-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475611 717315743 /nfs/dbraw/zinc/31/57/43/717315743.db2.gz HQZDXEYUWKTSNM-WOJBJXKFSA-N 1 3 343.515 2.902 20 0 EFADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000980477374 717320019 /nfs/dbraw/zinc/32/00/19/717320019.db2.gz FZTKXWRTZVYARD-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000980477374 717320025 /nfs/dbraw/zinc/32/00/25/717320025.db2.gz FZTKXWRTZVYARD-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000980478693 717322315 /nfs/dbraw/zinc/32/23/15/717322315.db2.gz OULTXKSCCCCYFE-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC000980486935 717330598 /nfs/dbraw/zinc/33/05/98/717330598.db2.gz YCCUFLRCGPDMCS-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000980486935 717330601 /nfs/dbraw/zinc/33/06/01/717330601.db2.gz YCCUFLRCGPDMCS-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712624 717372087 /nfs/dbraw/zinc/37/20/87/717372087.db2.gz NBGBLECLGCVDTB-BZSNNMDCSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979712624 717372091 /nfs/dbraw/zinc/37/20/91/717372091.db2.gz NBGBLECLGCVDTB-BZSNNMDCSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@H]2C1)N1CCCCC1 ZINC000979718740 717377798 /nfs/dbraw/zinc/37/77/98/717377798.db2.gz WDZQPBZAUZJALF-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]2C1)N1CCCCC1 ZINC000979718740 717377800 /nfs/dbraw/zinc/37/78/00/717377800.db2.gz WDZQPBZAUZJALF-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001024139932 717388412 /nfs/dbraw/zinc/38/84/12/717388412.db2.gz RLZHGTCSOQJDSX-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001024155903 717449836 /nfs/dbraw/zinc/44/98/36/717449836.db2.gz CYHPHCSXQDWMLL-DOTOQJQBSA-N 1 3 349.544 2.869 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3ccsc3)C2)C1 ZINC001024156308 717450571 /nfs/dbraw/zinc/45/05/71/717450571.db2.gz LBRZONCDNLRUKU-MRXNPFEDSA-N 1 3 349.544 2.808 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001024156106 717450825 /nfs/dbraw/zinc/45/08/25/717450825.db2.gz IIAVKIOWRSYCKT-IEBWSBKVSA-N 1 3 333.520 2.657 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001024161847 717455116 /nfs/dbraw/zinc/45/51/16/717455116.db2.gz OLNMQNMRHMTINP-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001024162709 717458334 /nfs/dbraw/zinc/45/83/34/717458334.db2.gz YQDATSAGUBQZHO-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1F ZINC001024178851 717477104 /nfs/dbraw/zinc/47/71/04/717477104.db2.gz GBPNIGGWEOGVIT-LSDHHAIUSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980605718 717477922 /nfs/dbraw/zinc/47/79/22/717477922.db2.gz VUYJKHVGGPCEPN-SJLPKXTDSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001024180343 717479324 /nfs/dbraw/zinc/47/93/24/717479324.db2.gz WCEMPLNHVHXFMJ-CABCVRRESA-N 1 3 344.434 2.681 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC001024180420 717479589 /nfs/dbraw/zinc/47/95/89/717479589.db2.gz XEGXWJTUAKFKSA-GOSISDBHSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000980607310 717487614 /nfs/dbraw/zinc/48/76/14/717487614.db2.gz MZADDHRNIFVPLO-ROUUACIJSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980607427 717488190 /nfs/dbraw/zinc/48/81/90/717488190.db2.gz OQPQSJSEROLIAC-SJORKVTESA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980607424 717488368 /nfs/dbraw/zinc/48/83/68/717488368.db2.gz OQPQSJSEROLIAC-DLBZAZTESA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980608271 717488927 /nfs/dbraw/zinc/48/89/27/717488927.db2.gz ZKVSGHVBWHLCNV-HZPDHXFCSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN(C)C1CCC1 ZINC000980608272 717489212 /nfs/dbraw/zinc/48/92/12/717489212.db2.gz ZKVSGHVBWHLCNV-JKSUJKDBSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000892443565 717497942 /nfs/dbraw/zinc/49/79/42/717497942.db2.gz AQUVGPDRYPKVJB-UAPYVXQJSA-N 1 3 346.519 2.586 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001024278068 717563263 /nfs/dbraw/zinc/56/32/63/717563263.db2.gz AZYIEYUMCWYIMG-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700405 717605537 /nfs/dbraw/zinc/60/55/37/717605537.db2.gz NLYJLXRFLGVLPB-DOTOQJQBSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700875 717606232 /nfs/dbraw/zinc/60/62/32/717606232.db2.gz USZULJFWHVVRER-IRXDYDNUSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700874 717606237 /nfs/dbraw/zinc/60/62/37/717606237.db2.gz USZULJFWHVVRER-IAGOWNOFSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980705417 717611184 /nfs/dbraw/zinc/61/11/84/717611184.db2.gz ZCCSWZRZDVUUSU-SJORKVTESA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709656 717641968 /nfs/dbraw/zinc/64/19/68/717641968.db2.gz YXXUOVPGUQNPHG-UKRRQHHQSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740150 717659047 /nfs/dbraw/zinc/65/90/47/717659047.db2.gz VGJSYNRRQSTNAC-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001024448545 717732369 /nfs/dbraw/zinc/73/23/69/717732369.db2.gz QHLCUJLGBJIRQS-SLFFLAALSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001024448545 717732378 /nfs/dbraw/zinc/73/23/78/717732378.db2.gz QHLCUJLGBJIRQS-SLFFLAALSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN1CCCC1 ZINC000980799092 717755312 /nfs/dbraw/zinc/75/53/12/717755312.db2.gz FNUVUIQKGGEGPI-APWZRJJASA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC000985483164 724466316 /nfs/dbraw/zinc/46/63/16/724466316.db2.gz VTDKKPLSBOQRQN-INIZCTEOSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC000985483164 724466319 /nfs/dbraw/zinc/46/63/19/724466319.db2.gz VTDKKPLSBOQRQN-INIZCTEOSA-N 1 3 345.478 2.541 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001029901503 724466578 /nfs/dbraw/zinc/46/65/78/724466578.db2.gz HDIBZAXDKMXSOP-RDJZCZTQSA-N 1 3 349.906 2.572 20 0 EFADHO CN(Cc1ccccc1Cl)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001029901503 724466580 /nfs/dbraw/zinc/46/65/80/724466580.db2.gz HDIBZAXDKMXSOP-RDJZCZTQSA-N 1 3 349.906 2.572 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1F ZINC000980800300 717762831 /nfs/dbraw/zinc/76/28/31/717762831.db2.gz PDJQATHTYVPQJW-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN1CCCC1 ZINC000980799419 717773461 /nfs/dbraw/zinc/77/34/61/717773461.db2.gz HLISFLVKXVGHKD-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756581 724471832 /nfs/dbraw/zinc/47/18/32/724471832.db2.gz XWMPSPAAYXSHFO-MAUKXSAKSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756581 724471833 /nfs/dbraw/zinc/47/18/33/724471833.db2.gz XWMPSPAAYXSHFO-MAUKXSAKSA-N 1 3 335.536 2.543 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001029754722 724473978 /nfs/dbraw/zinc/47/39/78/724473978.db2.gz CDZGPBGZWHSWRC-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC001029754722 724473981 /nfs/dbraw/zinc/47/39/81/724473981.db2.gz CDZGPBGZWHSWRC-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904211 724475050 /nfs/dbraw/zinc/47/50/50/724475050.db2.gz QDWHGUGACCCIIR-ROUUACIJSA-N 1 3 329.488 2.624 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904211 724475051 /nfs/dbraw/zinc/47/50/51/724475051.db2.gz QDWHGUGACCCIIR-ROUUACIJSA-N 1 3 329.488 2.624 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C1)N1CCCC1 ZINC000980173700 717857560 /nfs/dbraw/zinc/85/75/60/717857560.db2.gz SBSTWLRWBWSPDD-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C1)N1CCCC1 ZINC000980173700 717857565 /nfs/dbraw/zinc/85/75/65/717857565.db2.gz SBSTWLRWBWSPDD-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001029755124 724474528 /nfs/dbraw/zinc/47/45/28/724474528.db2.gz IZPHPMNSFRNFNT-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001029755124 724474530 /nfs/dbraw/zinc/47/45/30/724474530.db2.gz IZPHPMNSFRNFNT-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001029755157 724474673 /nfs/dbraw/zinc/47/46/73/724474673.db2.gz IOEZSXDTNALEMI-UYAOXDASSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001029755157 724474679 /nfs/dbraw/zinc/47/46/79/724474679.db2.gz IOEZSXDTNALEMI-UYAOXDASSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001029755150 724474747 /nfs/dbraw/zinc/47/47/47/724474747.db2.gz IOEZSXDTNALEMI-AZUAARDMSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001029755150 724474749 /nfs/dbraw/zinc/47/47/49/724474749.db2.gz IOEZSXDTNALEMI-AZUAARDMSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC000985491545 724479880 /nfs/dbraw/zinc/47/98/80/724479880.db2.gz DXXYHRRUQBGWLS-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC000985491545 724479881 /nfs/dbraw/zinc/47/98/81/724479881.db2.gz DXXYHRRUQBGWLS-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029759984 724480386 /nfs/dbraw/zinc/48/03/86/724480386.db2.gz DXKTWCBKHLOXDX-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029759984 724480387 /nfs/dbraw/zinc/48/03/87/724480387.db2.gz DXKTWCBKHLOXDX-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904482 724475571 /nfs/dbraw/zinc/47/55/71/724475571.db2.gz XBLQYKKYDLIIAP-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904482 724475576 /nfs/dbraw/zinc/47/55/76/724475576.db2.gz XBLQYKKYDLIIAP-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001029756419 724476326 /nfs/dbraw/zinc/47/63/26/724476326.db2.gz WFTKIYMZXNAHQY-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001029756419 724476328 /nfs/dbraw/zinc/47/63/28/724476328.db2.gz WFTKIYMZXNAHQY-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756524 724476499 /nfs/dbraw/zinc/47/64/99/724476499.db2.gz XEXGMRJXAWURBT-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756524 724476502 /nfs/dbraw/zinc/47/65/02/724476502.db2.gz XEXGMRJXAWURBT-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904331 724477318 /nfs/dbraw/zinc/47/73/18/724477318.db2.gz SVNATPBCVPZFOR-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904331 724477322 /nfs/dbraw/zinc/47/73/22/724477322.db2.gz SVNATPBCVPZFOR-IRXDYDNUSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027917861 718092177 /nfs/dbraw/zinc/09/21/77/718092177.db2.gz GTQMFQOSNQVFDP-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027917861 718092179 /nfs/dbraw/zinc/09/21/79/718092179.db2.gz GTQMFQOSNQVFDP-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001027918640 718096478 /nfs/dbraw/zinc/09/64/78/718096478.db2.gz OXOXEZSUFUMYBU-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC001027918640 718096481 /nfs/dbraw/zinc/09/64/81/718096481.db2.gz OXOXEZSUFUMYBU-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027919059 718097575 /nfs/dbraw/zinc/09/75/75/718097575.db2.gz SRELXUQNGDZIEA-FUHWJXTLSA-N 1 3 349.544 2.746 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC001027919059 718097577 /nfs/dbraw/zinc/09/75/77/718097577.db2.gz SRELXUQNGDZIEA-FUHWJXTLSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921439 718102907 /nfs/dbraw/zinc/10/29/07/718102907.db2.gz OREICDUYKNUEHN-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921439 718102910 /nfs/dbraw/zinc/10/29/10/718102910.db2.gz OREICDUYKNUEHN-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029761052 724483561 /nfs/dbraw/zinc/48/35/61/724483561.db2.gz KKQGOYKZJPBMIX-MJGOQNOKSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029761052 724483565 /nfs/dbraw/zinc/48/35/65/724483565.db2.gz KKQGOYKZJPBMIX-MJGOQNOKSA-N 1 3 349.494 2.692 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001029766386 724483817 /nfs/dbraw/zinc/48/38/17/724483817.db2.gz AILCRMZVIZSKIZ-FXAWDEMLSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001029766386 724483819 /nfs/dbraw/zinc/48/38/19/724483819.db2.gz AILCRMZVIZSKIZ-FXAWDEMLSA-N 1 3 345.531 2.870 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001024759174 718143107 /nfs/dbraw/zinc/14/31/07/718143107.db2.gz FNHCQLWBXUDQGX-LJQANCHMSA-N 1 3 341.499 2.562 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981149485 718155675 /nfs/dbraw/zinc/15/56/75/718155675.db2.gz SETQCDWEZXZDKI-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981149485 718155676 /nfs/dbraw/zinc/15/56/76/718155676.db2.gz SETQCDWEZXZDKI-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981149832 718156068 /nfs/dbraw/zinc/15/60/68/718156068.db2.gz UJQUBTDZJJVKEM-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981149832 718156070 /nfs/dbraw/zinc/15/60/70/718156070.db2.gz UJQUBTDZJJVKEM-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165525 718169939 /nfs/dbraw/zinc/16/99/39/718169939.db2.gz WPMOACXHVNQHCA-MRXNPFEDSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCF)c1 ZINC001024811291 718175194 /nfs/dbraw/zinc/17/51/94/718175194.db2.gz PCDORODRYLXVOA-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCCF)c1 ZINC001024811291 718175195 /nfs/dbraw/zinc/17/51/95/718175195.db2.gz PCDORODRYLXVOA-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCCN2C)cc1F ZINC001024902245 718213625 /nfs/dbraw/zinc/21/36/25/718213625.db2.gz LPFQBWNIYSDAPF-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)C1(N(C)C)CCC1 ZINC001024982125 718247399 /nfs/dbraw/zinc/24/73/99/718247399.db2.gz FSLXVIWEXQHAKU-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001024985376 718249613 /nfs/dbraw/zinc/24/96/13/718249613.db2.gz OEURTGGJFBEWOU-RBUKOAKNSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001024985674 718249804 /nfs/dbraw/zinc/24/98/04/718249804.db2.gz SDOPVMFSDIDETB-MOPGFXCFSA-N 1 3 347.478 2.637 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001024985676 718249852 /nfs/dbraw/zinc/24/98/52/718249852.db2.gz SDOPVMFSDIDETB-OALUTQOASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001024992879 718252989 /nfs/dbraw/zinc/25/29/89/718252989.db2.gz ZFMNHCJIMJFHQT-MOPGFXCFSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001024997974 718254715 /nfs/dbraw/zinc/25/47/15/718254715.db2.gz FBHDVDVMZQEWOY-RTBURBONSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)CCc2cccs2)CC1)N(C)C ZINC000985495252 724494270 /nfs/dbraw/zinc/49/42/70/724494270.db2.gz IYCFXWJIRGTRCC-QGZVFWFLSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1)N(C)C ZINC000985495252 724494273 /nfs/dbraw/zinc/49/42/73/724494273.db2.gz IYCFXWJIRGTRCC-QGZVFWFLSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1)N(C)C ZINC000985497981 724496085 /nfs/dbraw/zinc/49/60/85/724496085.db2.gz YUIBPQALTRKFAW-LJQANCHMSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1)N(C)C ZINC000985497981 724496086 /nfs/dbraw/zinc/49/60/86/724496086.db2.gz YUIBPQALTRKFAW-LJQANCHMSA-N 1 3 349.494 2.919 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC[C@H]2C)cc1 ZINC001025085925 718350505 /nfs/dbraw/zinc/35/05/05/718350505.db2.gz XMRSMGCQXBPKGI-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025085371 718351314 /nfs/dbraw/zinc/35/13/14/718351314.db2.gz RJPSMNRXIWNPKJ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001025085370 718351402 /nfs/dbraw/zinc/35/14/02/718351402.db2.gz RJPSMNRXIWNPKJ-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001025085550 718351418 /nfs/dbraw/zinc/35/14/18/718351418.db2.gz SBEMKYAIMOIPFE-IEBWSBKVSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001025085579 718351498 /nfs/dbraw/zinc/35/14/98/718351498.db2.gz SOFFQNBFTGNRRA-NVXWUHKLSA-N 1 3 335.517 2.703 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC001025087452 718351972 /nfs/dbraw/zinc/35/19/72/718351972.db2.gz FBHDVDVMZQEWOY-MOPGFXCFSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1C ZINC001025098287 718357777 /nfs/dbraw/zinc/35/77/77/718357777.db2.gz MIIFVAISVWEVNB-LJQANCHMSA-N 1 3 340.471 2.740 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001025098414 718358063 /nfs/dbraw/zinc/35/80/63/718358063.db2.gz SMEAGCWMRSDBGI-LJQANCHMSA-N 1 3 340.471 2.740 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001025098467 718358163 /nfs/dbraw/zinc/35/81/63/718358163.db2.gz VDACKHHMVLQBFQ-GOSISDBHSA-N 1 3 332.492 2.893 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001025121897 718373640 /nfs/dbraw/zinc/37/36/40/718373640.db2.gz LEVORMAWMUQYCM-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2)CC1 ZINC001025123345 718374798 /nfs/dbraw/zinc/37/47/98/718374798.db2.gz ZIVUNNRUJFKSAI-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001025158824 718391253 /nfs/dbraw/zinc/39/12/53/718391253.db2.gz WVWNJZMUEMKFBM-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001025158824 718391254 /nfs/dbraw/zinc/39/12/54/718391254.db2.gz WVWNJZMUEMKFBM-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289203 718526876 /nfs/dbraw/zinc/52/68/76/718526876.db2.gz OETQKCDCFTXBFD-HOTGVXAUSA-N 1 3 332.492 2.943 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289203 718526879 /nfs/dbraw/zinc/52/68/79/718526879.db2.gz OETQKCDCFTXBFD-HOTGVXAUSA-N 1 3 332.492 2.943 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289937 718530814 /nfs/dbraw/zinc/53/08/14/718530814.db2.gz VODZRGHYKCFGOK-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CC1CC1)c1c[nH]cn1 ZINC001025289937 718530817 /nfs/dbraw/zinc/53/08/17/718530817.db2.gz VODZRGHYKCFGOK-SJORKVTESA-N 1 3 344.503 2.943 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981283193 718596803 /nfs/dbraw/zinc/59/68/03/718596803.db2.gz OUKHZYNAXJFWEB-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981283193 718596807 /nfs/dbraw/zinc/59/68/07/718596807.db2.gz OUKHZYNAXJFWEB-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981330246 718631910 /nfs/dbraw/zinc/63/19/10/718631910.db2.gz AZRJGNVTMQOYAQ-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981330246 718631912 /nfs/dbraw/zinc/63/19/12/718631912.db2.gz AZRJGNVTMQOYAQ-HXUWFJFHSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332773 718634463 /nfs/dbraw/zinc/63/44/63/718634463.db2.gz FODHJQHIGKCYQB-YLJYHZDGSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000981332773 718634467 /nfs/dbraw/zinc/63/44/67/718634467.db2.gz FODHJQHIGKCYQB-YLJYHZDGSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981387145 718673739 /nfs/dbraw/zinc/67/37/39/718673739.db2.gz BFEZSTBPEVQNHP-FQEVSTJZSA-N 1 3 345.531 2.924 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000981387145 718673740 /nfs/dbraw/zinc/67/37/40/718673740.db2.gz BFEZSTBPEVQNHP-FQEVSTJZSA-N 1 3 345.531 2.924 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001028094386 718726995 /nfs/dbraw/zinc/72/69/95/718726995.db2.gz YPJSWLBRPWRVIU-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1CC1CC1)[C@@H]1CCCCN1C1CCCC1 ZINC001028094386 718726998 /nfs/dbraw/zinc/72/69/98/718726998.db2.gz YPJSWLBRPWRVIU-OALUTQOASA-N 1 3 333.520 2.774 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC000981486213 718754535 /nfs/dbraw/zinc/75/45/35/718754535.db2.gz MPRRETQEQRZFEL-LSDHHAIUSA-N 1 3 346.500 2.582 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000981489214 718757144 /nfs/dbraw/zinc/75/71/44/718757144.db2.gz ZFLPDDOMMMDNNN-IAGOWNOFSA-N 1 3 330.476 2.778 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001028096672 718759164 /nfs/dbraw/zinc/75/91/64/718759164.db2.gz BHJPIOKLAWNCEL-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001028096672 718759165 /nfs/dbraw/zinc/75/91/65/718759165.db2.gz BHJPIOKLAWNCEL-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038327119 718764291 /nfs/dbraw/zinc/76/42/91/718764291.db2.gz IBTASQNNVUZARB-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CCC1=CCCCC1 ZINC001038327119 718764294 /nfs/dbraw/zinc/76/42/94/718764294.db2.gz IBTASQNNVUZARB-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038327132 718764851 /nfs/dbraw/zinc/76/48/51/718764851.db2.gz IBTASQNNVUZARB-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CCC1=CCCCC1 ZINC001038327132 718764853 /nfs/dbraw/zinc/76/48/53/718764853.db2.gz IBTASQNNVUZARB-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000981542936 718800865 /nfs/dbraw/zinc/80/08/65/718800865.db2.gz YGPBCSRWGLUYHM-MSOLQXFVSA-N 1 3 329.488 2.789 20 0 EFADHO CN(Cc1ccc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1)C1CC1 ZINC001164425616 718947038 /nfs/dbraw/zinc/94/70/38/718947038.db2.gz WYRIZRAFOOEQHN-WOJBJXKFSA-N 1 3 334.467 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CCC2CCCC2)C3)CCC1 ZINC000981810739 719071080 /nfs/dbraw/zinc/07/10/80/719071080.db2.gz YKLOQTXQYGUEQH-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CCC2CCCC2)C3)CCC1 ZINC000981810739 719071084 /nfs/dbraw/zinc/07/10/84/719071084.db2.gz YKLOQTXQYGUEQH-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000981825323 719086476 /nfs/dbraw/zinc/08/64/76/719086476.db2.gz PWGIIJIENJTTDL-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000981825323 719086480 /nfs/dbraw/zinc/08/64/80/719086480.db2.gz PWGIIJIENJTTDL-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CCc3cccs3)CC2)CC[N@@H+]1C ZINC000981825010 719086671 /nfs/dbraw/zinc/08/66/71/719086671.db2.gz DSIAUFCGNLOVNS-IRXDYDNUSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCCN(CCc3cccs3)CC2)CC[N@H+]1C ZINC000981825010 719086676 /nfs/dbraw/zinc/08/66/76/719086676.db2.gz DSIAUFCGNLOVNS-IRXDYDNUSA-N 1 3 349.544 2.555 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000892742004 719101736 /nfs/dbraw/zinc/10/17/36/719101736.db2.gz WIUDMLDHASAIHJ-MTQWCTHYSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000892742004 719101738 /nfs/dbraw/zinc/10/17/38/719101738.db2.gz WIUDMLDHASAIHJ-MTQWCTHYSA-N 1 3 332.488 2.681 20 0 EFADHO CCc1ccccc1CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872436 719148739 /nfs/dbraw/zinc/14/87/39/719148739.db2.gz LOJIRJCHKIYXIJ-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000981872778 719149178 /nfs/dbraw/zinc/14/91/78/719149178.db2.gz WKYNXNLIOGNTQT-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CC(C)(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001019775988 719383373 /nfs/dbraw/zinc/38/33/73/719383373.db2.gz PYXUXZSIUVLGNF-IBGZPJMESA-N 1 3 343.515 2.770 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](NCc2ccccc2F)C1)[NH+]1CCCC1 ZINC001019823783 719392297 /nfs/dbraw/zinc/39/22/97/719392297.db2.gz SFDQOUVCJMLRKL-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1)C2)N(C)C ZINC000981991922 719404174 /nfs/dbraw/zinc/40/41/74/719404174.db2.gz PFYGPKPLGRCNGG-LJQANCHMSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2)N(C)C ZINC000981991922 719404177 /nfs/dbraw/zinc/40/41/77/719404177.db2.gz PFYGPKPLGRCNGG-LJQANCHMSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC000982012526 719436650 /nfs/dbraw/zinc/43/66/50/719436650.db2.gz YQXZJSKGJRGJDY-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC000982012526 719436651 /nfs/dbraw/zinc/43/66/51/719436651.db2.gz YQXZJSKGJRGJDY-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028202454 719450249 /nfs/dbraw/zinc/45/02/49/719450249.db2.gz AKGJYCLUDBRDJD-LJQANCHMSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020239354 719468937 /nfs/dbraw/zinc/46/89/37/719468937.db2.gz XTVVBYADMGCBIP-BZSNNMDCSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020239354 719468941 /nfs/dbraw/zinc/46/89/41/719468941.db2.gz XTVVBYADMGCBIP-BZSNNMDCSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982052405 719506977 /nfs/dbraw/zinc/50/69/77/719506977.db2.gz IWJUPVGPYSAAHZ-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982052405 719506980 /nfs/dbraw/zinc/50/69/80/719506980.db2.gz IWJUPVGPYSAAHZ-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2 ZINC000982052631 719507163 /nfs/dbraw/zinc/50/71/63/719507163.db2.gz SKKZUKLLJJHMHR-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC000982052631 719507167 /nfs/dbraw/zinc/50/71/67/719507167.db2.gz SKKZUKLLJJHMHR-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCF)C2 ZINC000982052737 719507302 /nfs/dbraw/zinc/50/73/02/719507302.db2.gz YBDGWZOMRNSLEK-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCF)C2 ZINC000982052737 719507304 /nfs/dbraw/zinc/50/73/04/719507304.db2.gz YBDGWZOMRNSLEK-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000925835560 719544176 /nfs/dbraw/zinc/54/41/76/719544176.db2.gz RCLSCCZLZJYBOV-QKPAOTATSA-N 1 3 333.442 2.914 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC000982163479 719607875 /nfs/dbraw/zinc/60/78/75/719607875.db2.gz CBIPCDMQMPOMIS-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC[C@@H](C)F)C2 ZINC000982163479 719607877 /nfs/dbraw/zinc/60/78/77/719607877.db2.gz CBIPCDMQMPOMIS-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261561084 719629913 /nfs/dbraw/zinc/62/99/13/719629913.db2.gz VAWXRMUIPIMQKG-ZHALLVOQSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026043104 719672098 /nfs/dbraw/zinc/67/20/98/719672098.db2.gz BOZPPHHMKKKJDW-DBCWFSNCSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026043104 719672100 /nfs/dbraw/zinc/67/21/00/719672100.db2.gz BOZPPHHMKKKJDW-DBCWFSNCSA-N 1 3 341.499 2.668 20 0 EFADHO [NH3+][C@@H]1C[C@@H](N[C@H]2CCN(c3ccccc3OC(F)F)C2)C12CCC2 ZINC000925507362 719684812 /nfs/dbraw/zinc/68/48/12/719684812.db2.gz YAYTYWPJNZBXIS-APHBMKBZSA-N 1 3 337.414 2.726 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276488 719776177 /nfs/dbraw/zinc/77/61/77/719776177.db2.gz VSUNLZJEJCHDAI-SESVDKBCSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276488 719776181 /nfs/dbraw/zinc/77/61/81/719776181.db2.gz VSUNLZJEJCHDAI-SESVDKBCSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276487 719776363 /nfs/dbraw/zinc/77/63/63/719776363.db2.gz VSUNLZJEJCHDAI-NRSPTQNISA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982276487 719776368 /nfs/dbraw/zinc/77/63/68/719776368.db2.gz VSUNLZJEJCHDAI-NRSPTQNISA-N 1 3 347.547 2.996 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001026138945 719786580 /nfs/dbraw/zinc/78/65/80/719786580.db2.gz LEYWHCXXDKOXJG-FQBWVUSXSA-N 1 3 335.536 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]21 ZINC001026138945 719786585 /nfs/dbraw/zinc/78/65/85/719786585.db2.gz LEYWHCXXDKOXJG-FQBWVUSXSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148478 719801677 /nfs/dbraw/zinc/80/16/77/719801677.db2.gz LTJJDOHBJZHDAP-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001026148478 719801680 /nfs/dbraw/zinc/80/16/80/719801680.db2.gz LTJJDOHBJZHDAP-XJEZRWEYSA-N 1 3 347.547 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982292802 719823902 /nfs/dbraw/zinc/82/39/02/719823902.db2.gz YHGQVRIAEPLKKU-NRSPTQNISA-N 1 3 347.547 2.997 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC=C(C)C)C[C@]2(C)C1 ZINC000982292802 719823910 /nfs/dbraw/zinc/82/39/10/719823910.db2.gz YHGQVRIAEPLKKU-NRSPTQNISA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295926 719837137 /nfs/dbraw/zinc/83/71/37/719837137.db2.gz GGFRZMZCWDMKBX-LWCVALJOSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982295926 719837143 /nfs/dbraw/zinc/83/71/43/719837143.db2.gz GGFRZMZCWDMKBX-LWCVALJOSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@H+](CC4CCCC4)C[C@]3(C)C2)CCC1 ZINC000982296582 719844416 /nfs/dbraw/zinc/84/44/16/719844416.db2.gz VPMZBOBQZQKPAN-BGYRXZFFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@]3(C)C[N@@H+](CC4CCCC4)C[C@]3(C)C2)CCC1 ZINC000982296582 719844425 /nfs/dbraw/zinc/84/44/25/719844425.db2.gz VPMZBOBQZQKPAN-BGYRXZFFSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296614 719844565 /nfs/dbraw/zinc/84/45/65/719844565.db2.gz WEZPWLMPRVDLRI-NRSPTQNISA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296614 719844568 /nfs/dbraw/zinc/84/45/68/719844568.db2.gz WEZPWLMPRVDLRI-NRSPTQNISA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297760 719845031 /nfs/dbraw/zinc/84/50/31/719845031.db2.gz PHFYIDRHTCSRQT-FFZOFVMBSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297760 719845035 /nfs/dbraw/zinc/84/50/35/719845035.db2.gz PHFYIDRHTCSRQT-FFZOFVMBSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)CN(C)C4CCC4)C[C@@]3(C)C2)C1 ZINC000982297893 719845800 /nfs/dbraw/zinc/84/58/00/719845800.db2.gz SBKOZIQALYIPMT-BOPNQXPFSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)CN(C)C4CCC4)C[C@@]3(C)C2)C1 ZINC000982297893 719845808 /nfs/dbraw/zinc/84/58/08/719845808.db2.gz SBKOZIQALYIPMT-BOPNQXPFSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)(C)C3)C[C@]2(C)C1)N(C)C ZINC000982306034 719873941 /nfs/dbraw/zinc/87/39/41/719873941.db2.gz FEVMPPBFANAQKZ-UIFIKXQLSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)(C)C3)C[C@]2(C)C1)N(C)C ZINC000982306034 719873944 /nfs/dbraw/zinc/87/39/44/719873944.db2.gz FEVMPPBFANAQKZ-UIFIKXQLSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H](CNC[C@@H]1CCCN1C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000235156972 719901608 /nfs/dbraw/zinc/90/16/08/719901608.db2.gz UDHIFONMIKXBBE-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980995 724640165 /nfs/dbraw/zinc/64/01/65/724640165.db2.gz LIPPUGGDTXUYRH-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980995 724640167 /nfs/dbraw/zinc/64/01/67/724640167.db2.gz LIPPUGGDTXUYRH-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000320980995 724640170 /nfs/dbraw/zinc/64/01/70/724640170.db2.gz LIPPUGGDTXUYRH-MLGOLLRUSA-N 1 3 328.378 2.813 20 0 EFADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(C(F)(F)F)cc1 ZINC000261681879 720023727 /nfs/dbraw/zinc/02/37/27/720023727.db2.gz AIFBDZQMXOXESC-HNNXBMFYSA-N 1 3 343.393 2.525 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4CC(C)(C)C4)[C@@H]3C2)CCC1 ZINC001026281648 720120421 /nfs/dbraw/zinc/12/04/21/720120421.db2.gz GZRLFURJNHPEAG-KSZLIROESA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CCCC4)[C@H]3C2)CCC1 ZINC001026282535 720128347 /nfs/dbraw/zinc/12/83/47/720128347.db2.gz UIFHTOOHVQQWOH-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4ccsc4)[C@H]3C2)CCC1 ZINC001026282696 720129878 /nfs/dbraw/zinc/12/98/78/720129878.db2.gz WMWCDXZCUVEXJE-ULQDDVLXSA-N 1 3 347.528 2.559 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCCC4)[C@@H]3C2)CCC1 ZINC001026283162 720130365 /nfs/dbraw/zinc/13/03/65/720130365.db2.gz CQQIIMZVNAFZTJ-IPMKNSEASA-N 1 3 345.531 2.798 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1)C1CCC1 ZINC001026283442 720131039 /nfs/dbraw/zinc/13/10/39/720131039.db2.gz IDZHORYZYNXHGZ-DFQSSKMNSA-N 1 3 345.531 2.798 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986358068 724651353 /nfs/dbraw/zinc/65/13/53/724651353.db2.gz WHVYWVBEMJUZLD-APWZRJJASA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c(C)c1 ZINC000986358505 724651695 /nfs/dbraw/zinc/65/16/95/724651695.db2.gz YRECOJYJZSLHHE-PXNSSMCTSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986351006 724659329 /nfs/dbraw/zinc/65/93/29/724659329.db2.gz BWMHXYOICHWNSZ-APWZRJJASA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986352032 724659626 /nfs/dbraw/zinc/65/96/26/724659626.db2.gz FIZBJNHKLSEDAK-YLJYHZDGSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1noc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)n1 ZINC000894038513 720242753 /nfs/dbraw/zinc/24/27/53/720242753.db2.gz ZATUUPGMLVUAQF-FBVQUNGASA-N 1 3 326.444 2.877 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894075913 720269802 /nfs/dbraw/zinc/26/98/02/720269802.db2.gz JOXYPSNGHCWQDS-DFUPXEOGSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000894075913 720269805 /nfs/dbraw/zinc/26/98/05/720269805.db2.gz JOXYPSNGHCWQDS-DFUPXEOGSA-N 1 3 331.479 2.797 20 0 EFADHO O=c1oc2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095548 720280160 /nfs/dbraw/zinc/28/01/60/720280160.db2.gz RWYKEHSKUXXIOE-GOEBONIOSA-N 1 3 328.412 2.835 20 0 EFADHO O=c1oc2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095548 720280164 /nfs/dbraw/zinc/28/01/64/720280164.db2.gz RWYKEHSKUXXIOE-GOEBONIOSA-N 1 3 328.412 2.835 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028316064 720345250 /nfs/dbraw/zinc/34/52/50/720345250.db2.gz JUDZPXITJZPGBB-VQTJNVASSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028316064 720345255 /nfs/dbraw/zinc/34/52/55/720345255.db2.gz JUDZPXITJZPGBB-VQTJNVASSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333239 720373291 /nfs/dbraw/zinc/37/32/91/720373291.db2.gz GYZWLHXIQRHMMQ-FUHWJXTLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333239 720373295 /nfs/dbraw/zinc/37/32/95/720373295.db2.gz GYZWLHXIQRHMMQ-FUHWJXTLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332903 720373601 /nfs/dbraw/zinc/37/36/01/720373601.db2.gz GJCJDYPHYYWJBT-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332903 720373604 /nfs/dbraw/zinc/37/36/04/720373604.db2.gz GJCJDYPHYYWJBT-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC001028333388 720373716 /nfs/dbraw/zinc/37/37/16/720373716.db2.gz LLADWFPHTYIPIO-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC2)c1 ZINC001028333388 720373719 /nfs/dbraw/zinc/37/37/19/720373719.db2.gz LLADWFPHTYIPIO-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001008164985 720408046 /nfs/dbraw/zinc/40/80/46/720408046.db2.gz WAMZQPMRPSMXLK-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001008164985 720408050 /nfs/dbraw/zinc/40/80/50/720408050.db2.gz WAMZQPMRPSMXLK-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO c1cncc(CN2CC[C@H]3[C@H]2CCN3c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001164727939 720410162 /nfs/dbraw/zinc/41/01/62/720410162.db2.gz FIKCJVLTGWTYAW-UXHICEINSA-N 1 3 349.482 2.930 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001026427374 720559016 /nfs/dbraw/zinc/55/90/16/720559016.db2.gz MQXCGAZSAQJNEN-SXLOBPIMSA-N 1 3 341.499 2.598 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026427453 720559123 /nfs/dbraw/zinc/55/91/23/720559123.db2.gz OGZQIPWZNUPKNE-NZSAHSFTSA-N 1 3 329.488 2.597 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccc(F)cc1 ZINC000947686236 720576129 /nfs/dbraw/zinc/57/61/29/720576129.db2.gz VUBCFDFSEXDOPU-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839902 724689261 /nfs/dbraw/zinc/68/92/61/724689261.db2.gz LVJBDQGPOUCCMI-ROUUACIJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839902 724689264 /nfs/dbraw/zinc/68/92/64/724689264.db2.gz LVJBDQGPOUCCMI-ROUUACIJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841729 724692963 /nfs/dbraw/zinc/69/29/63/724692963.db2.gz LHGQFFSZUFRPFU-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841729 724692965 /nfs/dbraw/zinc/69/29/65/724692965.db2.gz LHGQFFSZUFRPFU-SJLPKXTDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029842076 724694257 /nfs/dbraw/zinc/69/42/57/724694257.db2.gz NJNDMHZHOYNCEW-HZPDHXFCSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029842076 724694260 /nfs/dbraw/zinc/69/42/60/724694260.db2.gz NJNDMHZHOYNCEW-HZPDHXFCSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001029842578 724695513 /nfs/dbraw/zinc/69/55/13/724695513.db2.gz SMBNUZHOKLIZCJ-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001029842578 724695515 /nfs/dbraw/zinc/69/55/15/724695515.db2.gz SMBNUZHOKLIZCJ-QUCCMNQESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001029842908 724697633 /nfs/dbraw/zinc/69/76/33/724697633.db2.gz YUTSJMWNRGCSGE-RDJZCZTQSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001029842908 724697634 /nfs/dbraw/zinc/69/76/34/724697634.db2.gz YUTSJMWNRGCSGE-RDJZCZTQSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001026560711 720747859 /nfs/dbraw/zinc/74/78/59/720747859.db2.gz CIJPBYUYHRNTNF-KKXNLOMOSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC001026560684 720748000 /nfs/dbraw/zinc/74/80/00/720748000.db2.gz BFTJLFBTUZRTDJ-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccccc3F)CC2)C1 ZINC001026561065 720748767 /nfs/dbraw/zinc/74/87/67/720748767.db2.gz MUFGDEVYIYOYMQ-ZLPCBKJTSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccccc3F)CC2)C1 ZINC001026561064 720748811 /nfs/dbraw/zinc/74/88/11/720748811.db2.gz MUFGDEVYIYOYMQ-FAEJEUNOSA-N 1 3 347.478 2.685 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001029844006 724706249 /nfs/dbraw/zinc/70/62/49/724706249.db2.gz UNJCPRVNLIJZTQ-UXHICEINSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001029844006 724706252 /nfs/dbraw/zinc/70/62/52/724706252.db2.gz UNJCPRVNLIJZTQ-UXHICEINSA-N 1 3 345.531 2.870 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001026598495 720797463 /nfs/dbraw/zinc/79/74/63/720797463.db2.gz JUEUEMDSYHEKRD-UHFFFAOYSA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]CCC2CCCC2)CC1 ZINC001026598830 720798244 /nfs/dbraw/zinc/79/82/44/720798244.db2.gz WTBPIFWSFLYPPQ-UHFFFAOYSA-N 1 3 332.492 2.858 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029844050 724707868 /nfs/dbraw/zinc/70/78/68/724707868.db2.gz VGRPFLSRVRTVGZ-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029844050 724707872 /nfs/dbraw/zinc/70/78/72/724707872.db2.gz VGRPFLSRVRTVGZ-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554604 720823029 /nfs/dbraw/zinc/82/30/29/720823029.db2.gz ZDYJDIXOLWFXIK-UIFIKXQLSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554604 720823036 /nfs/dbraw/zinc/82/30/36/720823036.db2.gz ZDYJDIXOLWFXIK-UIFIKXQLSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC000982623952 720959342 /nfs/dbraw/zinc/95/93/42/720959342.db2.gz MXWNQLYUZIUXDG-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1 ZINC000982623952 720959345 /nfs/dbraw/zinc/95/93/45/720959345.db2.gz MXWNQLYUZIUXDG-NRSPTQNISA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982625231 720970007 /nfs/dbraw/zinc/97/00/07/720970007.db2.gz ZKSPEALCXJMFIK-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982625231 720970009 /nfs/dbraw/zinc/97/00/09/720970009.db2.gz ZKSPEALCXJMFIK-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001028536408 720984896 /nfs/dbraw/zinc/98/48/96/720984896.db2.gz BLZASKKNCRNTPM-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001028536408 720984899 /nfs/dbraw/zinc/98/48/99/720984899.db2.gz BLZASKKNCRNTPM-WOJBJXKFSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536611 720985970 /nfs/dbraw/zinc/98/59/70/720985970.db2.gz CDIBDFBMPMCDNQ-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536611 720985972 /nfs/dbraw/zinc/98/59/72/720985972.db2.gz CDIBDFBMPMCDNQ-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537725 720987029 /nfs/dbraw/zinc/98/70/29/720987029.db2.gz QZVIKUXQSUQQNU-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001028537725 720987031 /nfs/dbraw/zinc/98/70/31/720987031.db2.gz QZVIKUXQSUQQNU-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001028537795 720987843 /nfs/dbraw/zinc/98/78/43/720987843.db2.gz SDTXORAZYTVSNT-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)cc1 ZINC001028537795 720987845 /nfs/dbraw/zinc/98/78/45/720987845.db2.gz SDTXORAZYTVSNT-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028537922 720988140 /nfs/dbraw/zinc/98/81/40/720988140.db2.gz VLAGAIIETGMAQQ-PKOBYXMFSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028537922 720988143 /nfs/dbraw/zinc/98/81/43/720988143.db2.gz VLAGAIIETGMAQQ-PKOBYXMFSA-N 1 3 347.547 2.878 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001026734908 721005235 /nfs/dbraw/zinc/00/52/35/721005235.db2.gz WMAUKNKCWOLJIG-FXAWDEMLSA-N 1 3 341.499 2.596 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001026734273 721008743 /nfs/dbraw/zinc/00/87/43/721008743.db2.gz MFAFPUGGVZOORH-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001029947072 724728812 /nfs/dbraw/zinc/72/88/12/724728812.db2.gz HDHJWRLZBJGZEK-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001029947072 724728815 /nfs/dbraw/zinc/72/88/15/724728815.db2.gz HDHJWRLZBJGZEK-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029947007 724729106 /nfs/dbraw/zinc/72/91/06/724729106.db2.gz DDHPEFOWKGAFFB-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029947007 724729109 /nfs/dbraw/zinc/72/91/09/724729109.db2.gz DDHPEFOWKGAFFB-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985629723 724731066 /nfs/dbraw/zinc/73/10/66/724731066.db2.gz AGWFRWUEXNCWFZ-LJQANCHMSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000985629723 724731069 /nfs/dbraw/zinc/73/10/69/724731069.db2.gz AGWFRWUEXNCWFZ-LJQANCHMSA-N 1 3 331.504 2.696 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028579098 721091467 /nfs/dbraw/zinc/09/14/67/721091467.db2.gz AEGOBWWNXICNIX-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028579098 721091469 /nfs/dbraw/zinc/09/14/69/721091469.db2.gz AEGOBWWNXICNIX-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028579808 721101517 /nfs/dbraw/zinc/10/15/17/721101517.db2.gz JGKFNEIWYDPCFT-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028579808 721101518 /nfs/dbraw/zinc/10/15/18/721101518.db2.gz JGKFNEIWYDPCFT-ICSRJNTNSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028580390 721110035 /nfs/dbraw/zinc/11/00/35/721110035.db2.gz VQNDHRIRIIZCPT-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028580390 721110040 /nfs/dbraw/zinc/11/00/40/721110040.db2.gz VQNDHRIRIIZCPT-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028580387 721110494 /nfs/dbraw/zinc/11/04/94/721110494.db2.gz VQNDHRIRIIZCPT-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028580387 721110496 /nfs/dbraw/zinc/11/04/96/721110496.db2.gz VQNDHRIRIIZCPT-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580482 721110892 /nfs/dbraw/zinc/11/08/92/721110892.db2.gz XBDCHEASNPPQSO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580482 721110893 /nfs/dbraw/zinc/11/08/93/721110893.db2.gz XBDCHEASNPPQSO-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC000982724874 721130945 /nfs/dbraw/zinc/13/09/45/721130945.db2.gz FQKQKFHTJRQRTK-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC)C[C@]2(C)C1 ZINC000982724874 721130948 /nfs/dbraw/zinc/13/09/48/721130948.db2.gz FQKQKFHTJRQRTK-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1)N(C)C ZINC000985636992 724737951 /nfs/dbraw/zinc/73/79/51/724737951.db2.gz JWDIRGWPLZMOBK-HXUWFJFHSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CCc2ccccc2)CC1)N(C)C ZINC000985636992 724737953 /nfs/dbraw/zinc/73/79/53/724737953.db2.gz JWDIRGWPLZMOBK-HXUWFJFHSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974601074 721190981 /nfs/dbraw/zinc/19/09/81/721190981.db2.gz ROVUDWAODVNCMC-OTWHNJEPSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974601074 721190985 /nfs/dbraw/zinc/19/09/85/721190985.db2.gz ROVUDWAODVNCMC-OTWHNJEPSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974604031 721193065 /nfs/dbraw/zinc/19/30/65/721193065.db2.gz DEVADPPVPNSDRN-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c1 ZINC000974604031 721193068 /nfs/dbraw/zinc/19/30/68/721193068.db2.gz DEVADPPVPNSDRN-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001026885844 721294369 /nfs/dbraw/zinc/29/43/69/721294369.db2.gz NFFVNJQTYRFZTE-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCc4ccccc43)C2)CCC1 ZINC001026885642 721294464 /nfs/dbraw/zinc/29/44/64/721294464.db2.gz KKPGJOPRQAOFBX-QFBILLFUSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001026885893 721295202 /nfs/dbraw/zinc/29/52/02/721295202.db2.gz OMINGDADEMXUQG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC001026889420 721297817 /nfs/dbraw/zinc/29/78/17/721297817.db2.gz WUOTVFKOVDJUCP-IEBWSBKVSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026889353 721297911 /nfs/dbraw/zinc/29/79/11/721297911.db2.gz VMYZSFISULXBSS-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001026889928 721298759 /nfs/dbraw/zinc/29/87/59/721298759.db2.gz FOHTVEGIYPOFJC-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026890378 721299223 /nfs/dbraw/zinc/29/92/23/721299223.db2.gz JRJZAUNGVMCCJE-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890355 721299280 /nfs/dbraw/zinc/29/92/80/721299280.db2.gz JBQAAYKHSOGVGG-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001026891322 721300844 /nfs/dbraw/zinc/30/08/44/721300844.db2.gz RPZCFFYIRIOFMT-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001026891324 721301147 /nfs/dbraw/zinc/30/11/47/721301147.db2.gz RPZCFFYIRIOFMT-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831119 721303204 /nfs/dbraw/zinc/30/32/04/721303204.db2.gz GTWKOLLNMYSEFY-TZRIAGMCSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831119 721303208 /nfs/dbraw/zinc/30/32/08/721303208.db2.gz GTWKOLLNMYSEFY-TZRIAGMCSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831118 721303356 /nfs/dbraw/zinc/30/33/56/721303356.db2.gz GTWKOLLNMYSEFY-QGZVKYPTSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831118 721303360 /nfs/dbraw/zinc/30/33/60/721303360.db2.gz GTWKOLLNMYSEFY-QGZVKYPTSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)CCC1 ZINC001026886446 721305050 /nfs/dbraw/zinc/30/50/50/721305050.db2.gz XPXGWPJTDYUWDN-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001026886160 721305280 /nfs/dbraw/zinc/30/52/80/721305280.db2.gz RTFQWZMXNXVPRB-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887531 721307250 /nfs/dbraw/zinc/30/72/50/721307250.db2.gz QQOCHTWTZCQKAU-FXAWDEMLSA-N 1 3 343.515 2.582 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887957 721308068 /nfs/dbraw/zinc/30/80/68/721308068.db2.gz YRDCBHBZKHCVFZ-QUCCMNQESA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982833842 721308872 /nfs/dbraw/zinc/30/88/72/721308872.db2.gz QMFLIOIZSAWENU-OYRHEFFESA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982833842 721308875 /nfs/dbraw/zinc/30/88/75/721308875.db2.gz QMFLIOIZSAWENU-OYRHEFFESA-N 1 3 343.515 2.941 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC001026888434 721308982 /nfs/dbraw/zinc/30/89/82/721308982.db2.gz FVWDONOFYZTPNL-UYAOXDASSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001026888685 721309128 /nfs/dbraw/zinc/30/91/28/721309128.db2.gz LFEUWKXPMNPKLU-QAPCUYQASA-N 1 3 349.544 2.643 20 0 EFADHO C[N@H+](CC1CCCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646206 724749789 /nfs/dbraw/zinc/74/97/89/724749789.db2.gz ITXYESVZUPWYDL-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCC1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000985646206 724749790 /nfs/dbraw/zinc/74/97/90/724749790.db2.gz ITXYESVZUPWYDL-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001026900873 721311989 /nfs/dbraw/zinc/31/19/89/721311989.db2.gz FIFYSPLCLPNGAA-WMZOPIPTSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901316 721312428 /nfs/dbraw/zinc/31/24/28/721312428.db2.gz NJVAGYFTERFVPY-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001026901370 721312657 /nfs/dbraw/zinc/31/26/57/721312657.db2.gz NXEWLEADLHQEHE-MOPGFXCFSA-N 1 3 349.494 2.680 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901769 721313390 /nfs/dbraw/zinc/31/33/90/721313390.db2.gz TXHXDWRKKVYVNW-LPHOPBHVSA-N 1 3 349.494 2.658 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985646945 724752310 /nfs/dbraw/zinc/75/23/10/724752310.db2.gz MIQSMLWQXVVROM-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985646945 724752311 /nfs/dbraw/zinc/75/23/11/724752311.db2.gz MIQSMLWQXVVROM-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001026916174 721343315 /nfs/dbraw/zinc/34/33/15/721343315.db2.gz CIDGDOGFZPOFFS-NVXWUHKLSA-N 1 3 337.895 2.618 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)c1 ZINC001026916382 721343561 /nfs/dbraw/zinc/34/35/61/721343561.db2.gz GZZSBNNHALJJSP-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001026916661 721343705 /nfs/dbraw/zinc/34/37/05/721343705.db2.gz LPXSUXNXHYMTTO-MAUKXSAKSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1 ZINC000985647477 724753848 /nfs/dbraw/zinc/75/38/48/724753848.db2.gz QRQALPPUPXESQH-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC000985647477 724753849 /nfs/dbraw/zinc/75/38/49/724753849.db2.gz QRQALPPUPXESQH-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000974757141 721393655 /nfs/dbraw/zinc/39/36/55/721393655.db2.gz FZRDYOLTEYWFSW-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000974757141 721393657 /nfs/dbraw/zinc/39/36/57/721393657.db2.gz FZRDYOLTEYWFSW-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC2CC2)CC1(C)C ZINC000974760430 721397022 /nfs/dbraw/zinc/39/70/22/721397022.db2.gz RCAZMJVKAIWEJQ-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC000974760430 721397024 /nfs/dbraw/zinc/39/70/24/721397024.db2.gz RCAZMJVKAIWEJQ-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC000985652278 724761160 /nfs/dbraw/zinc/76/11/60/724761160.db2.gz DXXYHRRUQBGWLS-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC000985652278 724761163 /nfs/dbraw/zinc/76/11/63/724761163.db2.gz DXXYHRRUQBGWLS-SFHVURJKSA-N 1 3 335.467 2.589 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC000985655154 724763357 /nfs/dbraw/zinc/76/33/57/724763357.db2.gz SHDBZWAIRKRIPJ-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3cccc(F)c3)CC2)C1 ZINC000985655154 724763359 /nfs/dbraw/zinc/76/33/59/724763359.db2.gz SHDBZWAIRKRIPJ-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974778844 721426604 /nfs/dbraw/zinc/42/66/04/721426604.db2.gz WVHZFEKGIDVKRU-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H](NC(=O)C23CCCN2CCC3)C(C)(C)C1 ZINC000974778844 721426607 /nfs/dbraw/zinc/42/66/07/721426607.db2.gz WVHZFEKGIDVKRU-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC000985656240 724766885 /nfs/dbraw/zinc/76/68/85/724766885.db2.gz WQIILLCWMMQCMK-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC000985656240 724766887 /nfs/dbraw/zinc/76/68/87/724766887.db2.gz WQIILLCWMMQCMK-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864862 721486314 /nfs/dbraw/zinc/48/63/14/721486314.db2.gz RVEGOHGKCHIRIT-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C(C)(C)C1 ZINC000974864862 721486320 /nfs/dbraw/zinc/48/63/20/721486320.db2.gz RVEGOHGKCHIRIT-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001029852288 724772813 /nfs/dbraw/zinc/77/28/13/724772813.db2.gz BWLFFOLWROFFIK-JCYILVPMSA-N 1 3 332.492 2.559 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001029852288 724772816 /nfs/dbraw/zinc/77/28/16/724772816.db2.gz BWLFFOLWROFFIK-JCYILVPMSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853137 724774885 /nfs/dbraw/zinc/77/48/85/724774885.db2.gz MIQVRBPLEPYCGI-HUUCEWRRSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853137 724774887 /nfs/dbraw/zinc/77/48/87/724774887.db2.gz MIQVRBPLEPYCGI-HUUCEWRRSA-N 1 3 344.434 2.633 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029854366 724784190 /nfs/dbraw/zinc/78/41/90/724784190.db2.gz XTBKIIFVNWJJCH-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029854366 724784191 /nfs/dbraw/zinc/78/41/91/724784191.db2.gz XTBKIIFVNWJJCH-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO CCON1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000924941817 721792714 /nfs/dbraw/zinc/79/27/14/721792714.db2.gz ZKGPFPSMNXCQJZ-LJQANCHMSA-N 1 3 331.504 2.557 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028709742 721876561 /nfs/dbraw/zinc/87/65/61/721876561.db2.gz CXASSNUGWSRQNH-MGDKSHQASA-N 1 3 349.906 2.595 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802475 722005875 /nfs/dbraw/zinc/00/58/75/722005875.db2.gz PDWXZVPXBRFZNZ-PKOBYXMFSA-N 1 3 349.494 2.591 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCN(C/C=C/Cl)C2)cc1 ZINC001028870893 722063194 /nfs/dbraw/zinc/06/31/94/722063194.db2.gz XWGVKEHQRSWSDG-UOWSJYKBSA-N 1 3 335.879 2.552 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331864 722108577 /nfs/dbraw/zinc/10/85/77/722108577.db2.gz JOZGXIXTKHTNDF-WOJBJXKFSA-N 1 3 325.456 2.702 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985235 722598744 /nfs/dbraw/zinc/59/87/44/722598744.db2.gz JNIVPYAQYQYDDC-DOTOQJQBSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028985235 722598745 /nfs/dbraw/zinc/59/87/45/722598745.db2.gz JNIVPYAQYQYDDC-DOTOQJQBSA-N 1 3 349.906 2.538 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001236 722618229 /nfs/dbraw/zinc/61/82/29/722618229.db2.gz SKTTYKKAELMFRZ-KRWDZBQOSA-N 1 3 329.488 2.766 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029001236 722618230 /nfs/dbraw/zinc/61/82/30/722618230.db2.gz SKTTYKKAELMFRZ-KRWDZBQOSA-N 1 3 329.488 2.766 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001029001737 722619752 /nfs/dbraw/zinc/61/97/52/722619752.db2.gz BQICMSGAQYCWFP-FUHWJXTLSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001029001737 722619754 /nfs/dbraw/zinc/61/97/54/722619754.db2.gz BQICMSGAQYCWFP-FUHWJXTLSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCN(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000925053430 722670984 /nfs/dbraw/zinc/67/09/84/722670984.db2.gz ZLAAJENZQIVWDB-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066486 722727219 /nfs/dbraw/zinc/72/72/19/722727219.db2.gz VKMIDXDWFJJPLT-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066487 722727242 /nfs/dbraw/zinc/72/72/42/722727242.db2.gz VKMIDXDWFJJPLT-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001029066406 722727313 /nfs/dbraw/zinc/72/73/13/722727313.db2.gz STUFQWLILPUKJJ-WMLDXEAASA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066579 722727409 /nfs/dbraw/zinc/72/74/09/722727409.db2.gz XEFXOISIMJSQCB-LPHOPBHVSA-N 1 3 347.547 2.878 20 0 EFADHO COCC[C@@H](CO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894654382 722809529 /nfs/dbraw/zinc/80/95/29/722809529.db2.gz YBXTXRMCSTVCEM-PZJWPPBQSA-N 1 3 348.531 2.912 20 0 EFADHO COCC[C@@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894654381 722809574 /nfs/dbraw/zinc/80/95/74/722809574.db2.gz YBXTXRMCSTVCEM-FPOVZHCZSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000983660541 722844987 /nfs/dbraw/zinc/84/49/87/722844987.db2.gz IFMBPRWUOSAKNC-FHWLQOOXSA-N 1 3 333.520 2.844 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029106943 722877465 /nfs/dbraw/zinc/87/74/65/722877465.db2.gz DOFMWFGEAMTPBA-OXJNMPFZSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029106946 722877492 /nfs/dbraw/zinc/87/74/92/722877492.db2.gz DOFMWFGEAMTPBA-OXQOHEQNSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029144040 722922308 /nfs/dbraw/zinc/92/23/08/722922308.db2.gz ARHWDQBIAJXVBK-ROUUACIJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029146975 722925295 /nfs/dbraw/zinc/92/52/95/722925295.db2.gz LTAQOBISRAUJQO-QZTJIDSGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147172 722925301 /nfs/dbraw/zinc/92/53/01/722925301.db2.gz OAZZOQKPTSKOQC-DLBZAZTESA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029147562 722925429 /nfs/dbraw/zinc/92/54/29/722925429.db2.gz WTJJNZLMQAZGDH-JKSUJKDBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029147625 722925437 /nfs/dbraw/zinc/92/54/37/722925437.db2.gz XWJDZBVOMGCKJG-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029147472 722925457 /nfs/dbraw/zinc/92/54/57/722925457.db2.gz UPVVNOQQSOVNJG-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001029151297 722928622 /nfs/dbraw/zinc/92/86/22/722928622.db2.gz ZYAWMCUZMCRDOO-HZPDHXFCSA-N 1 3 340.471 2.930 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC001029153205 722930074 /nfs/dbraw/zinc/93/00/74/722930074.db2.gz MUCGPJIINQXAGF-AWEZNQCLSA-N 1 3 346.500 2.739 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001029159978 722932602 /nfs/dbraw/zinc/93/26/02/722932602.db2.gz MNTWJYPWUHKJOQ-JLAWEPINSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)(C(=O)OC)c1ccccc1 ZINC000894947080 723032432 /nfs/dbraw/zinc/03/24/32/723032432.db2.gz LMLJGWOIYDRDAM-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO CC[C@@](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)(C(=O)OC)c1ccccc1 ZINC000894947080 723032434 /nfs/dbraw/zinc/03/24/34/723032434.db2.gz LMLJGWOIYDRDAM-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO CC[C@@](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)(C(=O)OC)c1ccccc1 ZINC000894947080 723032437 /nfs/dbraw/zinc/03/24/37/723032437.db2.gz LMLJGWOIYDRDAM-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000896033511 723102221 /nfs/dbraw/zinc/10/22/21/723102221.db2.gz NUZTVRXCFRYVKA-HKUYNNGSSA-N 1 3 347.503 2.723 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000896494737 723325391 /nfs/dbraw/zinc/32/53/91/723325391.db2.gz CMUJNGOMFWRSJW-YTQUADARSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000896494737 723325396 /nfs/dbraw/zinc/32/53/96/723325396.db2.gz CMUJNGOMFWRSJW-YTQUADARSA-N 1 3 329.488 2.592 20 0 EFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1 ZINC001029309564 723332177 /nfs/dbraw/zinc/33/21/77/723332177.db2.gz RKJLSTHRAUGPIK-HSALFYBXSA-N 1 3 345.531 2.584 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@@H+]1C ZINC001029315867 723340280 /nfs/dbraw/zinc/34/02/80/723340280.db2.gz YPIROLDDESTGPY-ZGXWSNOMSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@H+]1C ZINC001029315867 723340283 /nfs/dbraw/zinc/34/02/83/723340283.db2.gz YPIROLDDESTGPY-ZGXWSNOMSA-N 1 3 347.547 2.972 20 0 EFADHO COc1ccc2nccc(N3CCC[C@H]([NH2+]C4CCOCC4)C3)c2c1 ZINC000895123959 723356925 /nfs/dbraw/zinc/35/69/25/723356925.db2.gz LMFHIACCVPNXPQ-INIZCTEOSA-N 1 3 341.455 2.981 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)c1 ZINC001031801300 728813925 /nfs/dbraw/zinc/81/39/25/728813925.db2.gz BDHJVVKHAMSPCN-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)c1 ZINC001031801300 728813926 /nfs/dbraw/zinc/81/39/26/728813926.db2.gz BDHJVVKHAMSPCN-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1 ZINC001029330761 723364261 /nfs/dbraw/zinc/36/42/61/723364261.db2.gz SJTIPGIZLVONSD-QCRHNUIXSA-N 1 3 333.520 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1 ZINC001029330761 723364267 /nfs/dbraw/zinc/36/42/67/723364267.db2.gz SJTIPGIZLVONSD-QCRHNUIXSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000939211967 728819036 /nfs/dbraw/zinc/81/90/36/728819036.db2.gz VQFLLJSYECSRMX-FOIQADDNSA-N 1 3 348.450 2.742 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC000939210223 728817864 /nfs/dbraw/zinc/81/78/64/728817864.db2.gz MHSRMMFJNJGQET-DNVCBOLYSA-N 1 3 340.471 2.712 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896753403 723464378 /nfs/dbraw/zinc/46/43/78/723464378.db2.gz WWYRQPKECAAPDP-MJGOQNOKSA-N 1 3 347.503 2.677 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896753404 723464425 /nfs/dbraw/zinc/46/44/25/723464425.db2.gz WWYRQPKECAAPDP-PKOBYXMFSA-N 1 3 347.503 2.677 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756974 723465819 /nfs/dbraw/zinc/46/58/19/723465819.db2.gz VBQODWFPLJIJLH-QFBILLFUSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756974 723465820 /nfs/dbraw/zinc/46/58/20/723465820.db2.gz VBQODWFPLJIJLH-QFBILLFUSA-N 1 3 347.503 2.535 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029371365 723467058 /nfs/dbraw/zinc/46/70/58/723467058.db2.gz JWWVWBRCTRKCNE-HDICACEKSA-N 1 3 333.520 2.725 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001029371365 723467061 /nfs/dbraw/zinc/46/70/61/723467061.db2.gz JWWVWBRCTRKCNE-HDICACEKSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000984798862 723494268 /nfs/dbraw/zinc/49/42/68/723494268.db2.gz CYBUKORDQCIECP-QGPMSJSTSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC000984799519 723494444 /nfs/dbraw/zinc/49/44/44/723494444.db2.gz IICOOGAPPKESEZ-YVSFHVDLSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1F ZINC000984799521 723494483 /nfs/dbraw/zinc/49/44/83/723494483.db2.gz IICOOGAPPKESEZ-YYIAUSFCSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC000984800957 723495078 /nfs/dbraw/zinc/49/50/78/723495078.db2.gz VLEFFDQKXHFFBD-SNRMKQJTSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC000984803742 723495890 /nfs/dbraw/zinc/49/58/90/723495890.db2.gz IVSHDEHFHIUNDA-ZTTFOMCMSA-N 1 3 341.499 2.500 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000984804508 723495914 /nfs/dbraw/zinc/49/59/14/723495914.db2.gz NRCURSJYEKSBSJ-IHPCNDPISA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000984806031 723496637 /nfs/dbraw/zinc/49/66/37/723496637.db2.gz WDHOTRXIMYJLNM-BHIYHBOVSA-N 1 3 347.547 2.783 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000984807154 723497236 /nfs/dbraw/zinc/49/72/36/723497236.db2.gz FSGYOGBNZBXMCD-JCNLHEQBSA-N 1 3 335.536 2.639 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939216716 728830370 /nfs/dbraw/zinc/83/03/70/728830370.db2.gz XWRORUINTKDXJL-DNVCBOLYSA-N 1 3 340.471 2.712 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCCCC1 ZINC001029503235 723580337 /nfs/dbraw/zinc/58/03/37/723580337.db2.gz NJBIZRDPXWUVJS-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCCCC1 ZINC001029503235 723580340 /nfs/dbraw/zinc/58/03/40/723580340.db2.gz NJBIZRDPXWUVJS-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031806644 728842776 /nfs/dbraw/zinc/84/27/76/728842776.db2.gz JESDEACUTGUZNC-PXNSSMCTSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031806644 728842778 /nfs/dbraw/zinc/84/27/78/728842778.db2.gz JESDEACUTGUZNC-PXNSSMCTSA-N 1 3 343.515 2.916 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=S)N1CCN(CCC(C)(C)C)CC1 ZINC000727078529 723793048 /nfs/dbraw/zinc/79/30/48/723793048.db2.gz NJCRZTFOKIQVNB-UHFFFAOYSA-N 1 3 342.597 2.503 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000985073119 723814999 /nfs/dbraw/zinc/81/49/99/723814999.db2.gz GMLMMUDENRZXHI-SAABIXHNSA-N 1 3 340.471 2.562 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985147849 723883680 /nfs/dbraw/zinc/88/36/80/723883680.db2.gz FFETWYNWMLTTQP-FHWLQOOXSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985151456 723887717 /nfs/dbraw/zinc/88/77/17/723887717.db2.gz XUNSLGIXFMKFRW-YOQCTACHSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC000985150523 723889213 /nfs/dbraw/zinc/88/92/13/723889213.db2.gz SWJXWVVAUYFPSS-JPLJXNOCSA-N 1 3 343.515 2.852 20 0 EFADHO C[C@H](CC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)N(C)C ZINC000895292363 723994993 /nfs/dbraw/zinc/99/49/93/723994993.db2.gz FRAJBMDGZUDKGA-OAGGEKHMSA-N 1 3 327.513 2.952 20 0 EFADHO C[C@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N(C)C ZINC000895294811 723999010 /nfs/dbraw/zinc/99/90/10/723999010.db2.gz UGOCXFUHDGGYFL-QQFBHYJXSA-N 1 3 343.471 2.524 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NCC[C@@H](C)[NH+](C)C ZINC000895292933 724002887 /nfs/dbraw/zinc/00/28/87/724002887.db2.gz DSQWMLKEKYBXPA-CHWSQXEVSA-N 1 3 341.883 2.996 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H](C)N(C)C ZINC000895292933 724002888 /nfs/dbraw/zinc/00/28/88/724002888.db2.gz DSQWMLKEKYBXPA-CHWSQXEVSA-N 1 3 341.883 2.996 20 0 EFADHO C[C@@H](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)N(C)C ZINC000895296209 724006113 /nfs/dbraw/zinc/00/61/13/724006113.db2.gz BASHNJZTGYPMTC-AWEZNQCLSA-N 1 3 337.895 2.874 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cnc1F ZINC000895346850 724054456 /nfs/dbraw/zinc/05/44/56/724054456.db2.gz LKWNMPZAFBYGMK-UHFFFAOYSA-N 1 3 328.435 2.926 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897221919 724091017 /nfs/dbraw/zinc/09/10/17/724091017.db2.gz QLBQJZLOKSWLGA-ROUUACIJSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897221919 724091020 /nfs/dbraw/zinc/09/10/20/724091020.db2.gz QLBQJZLOKSWLGA-ROUUACIJSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897221918 724091170 /nfs/dbraw/zinc/09/11/70/724091170.db2.gz QLBQJZLOKSWLGA-QZTJIDSGSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1cccc2c1ncc(C)c2N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897221918 724091175 /nfs/dbraw/zinc/09/11/75/724091175.db2.gz QLBQJZLOKSWLGA-QZTJIDSGSA-N 1 3 325.456 2.887 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327126 724128554 /nfs/dbraw/zinc/12/85/54/724128554.db2.gz CROIKVBKXXBWMQ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327126 724128555 /nfs/dbraw/zinc/12/85/55/724128555.db2.gz CROIKVBKXXBWMQ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000985331490 724130755 /nfs/dbraw/zinc/13/07/55/724130755.db2.gz GPFAVTWTNMLSKK-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000985331490 724130757 /nfs/dbraw/zinc/13/07/57/724130757.db2.gz GPFAVTWTNMLSKK-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985332488 724133432 /nfs/dbraw/zinc/13/34/32/724133432.db2.gz QDDHHNONQOPGIG-QFBILLFUSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985332488 724133433 /nfs/dbraw/zinc/13/34/33/724133433.db2.gz QDDHHNONQOPGIG-QFBILLFUSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985332489 724133457 /nfs/dbraw/zinc/13/34/57/724133457.db2.gz QDDHHNONQOPGIG-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985332489 724133458 /nfs/dbraw/zinc/13/34/58/724133458.db2.gz QDDHHNONQOPGIG-VQIMIIECSA-N 1 3 329.488 2.765 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333533 724135180 /nfs/dbraw/zinc/13/51/80/724135180.db2.gz HDXVRLHKGDQPOV-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333533 724135182 /nfs/dbraw/zinc/13/51/82/724135182.db2.gz HDXVRLHKGDQPOV-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985332956 724138573 /nfs/dbraw/zinc/13/85/73/724138573.db2.gz VWIXKIYPTBGYNZ-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985332956 724138575 /nfs/dbraw/zinc/13/85/75/724138575.db2.gz VWIXKIYPTBGYNZ-GOSISDBHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC([NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 ZINC000895507967 724166703 /nfs/dbraw/zinc/16/67/03/724166703.db2.gz NAQUSOHXJFVBIK-SFHVURJKSA-N 1 3 343.471 2.577 20 0 EFADHO CCC[NH+]1CCC(NC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000895521029 724173462 /nfs/dbraw/zinc/17/34/62/724173462.db2.gz CIYZLLAUSSEPGH-LJQANCHMSA-N 1 3 347.503 2.725 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000895521065 724173484 /nfs/dbraw/zinc/17/34/84/724173484.db2.gz DRYSPWRXFYTIMY-LJQANCHMSA-N 1 3 347.503 2.723 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029595701 724198625 /nfs/dbraw/zinc/19/86/25/724198625.db2.gz NKWUPVXPXDHMDV-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029595701 724198628 /nfs/dbraw/zinc/19/86/28/724198628.db2.gz NKWUPVXPXDHMDV-AMBYYYRHSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029595220 724200795 /nfs/dbraw/zinc/20/07/95/724200795.db2.gz DGRWDTIHDXDREW-RWQQGDIJSA-N 1 3 347.547 2.971 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029595220 724200797 /nfs/dbraw/zinc/20/07/97/724200797.db2.gz DGRWDTIHDXDREW-RWQQGDIJSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1)[NH+]1CCCCC1 ZINC001029598374 724203883 /nfs/dbraw/zinc/20/38/83/724203883.db2.gz FFVFRHBNNCBQER-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCCC1 ZINC001029598374 724203885 /nfs/dbraw/zinc/20/38/85/724203885.db2.gz FFVFRHBNNCBQER-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCCC1 ZINC001029598374 724203889 /nfs/dbraw/zinc/20/38/89/724203889.db2.gz FFVFRHBNNCBQER-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2C[NH+]2CCC(CC)(N3CCC3)CC2)cn1 ZINC000895822114 724333019 /nfs/dbraw/zinc/33/30/19/724333019.db2.gz JPOHUARSEYSWFM-PKOBYXMFSA-N 1 3 346.519 2.931 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672541 724361553 /nfs/dbraw/zinc/36/15/53/724361553.db2.gz JUHRIYMQMVNDGI-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672541 724361556 /nfs/dbraw/zinc/36/15/56/724361556.db2.gz JUHRIYMQMVNDGI-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672511 724361981 /nfs/dbraw/zinc/36/19/81/724361981.db2.gz JQRUEGJGRFMCEO-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC001029672511 724361986 /nfs/dbraw/zinc/36/19/86/724361986.db2.gz JQRUEGJGRFMCEO-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672538 724362131 /nfs/dbraw/zinc/36/21/31/724362131.db2.gz JUHRIYMQMVNDGI-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029672538 724362134 /nfs/dbraw/zinc/36/21/34/724362134.db2.gz JUHRIYMQMVNDGI-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001029674299 724365456 /nfs/dbraw/zinc/36/54/56/724365456.db2.gz FDTAVPOOJDCAID-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)s1 ZINC001029674299 724365461 /nfs/dbraw/zinc/36/54/61/724365461.db2.gz FDTAVPOOJDCAID-WMZOPIPTSA-N 1 3 349.544 2.739 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001029675651 724368527 /nfs/dbraw/zinc/36/85/27/724368527.db2.gz SDEACRNDUGQHAW-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001029675651 724368531 /nfs/dbraw/zinc/36/85/31/724368531.db2.gz SDEACRNDUGQHAW-PMACEKPBSA-N 1 3 343.515 2.624 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985751167 724854107 /nfs/dbraw/zinc/85/41/07/724854107.db2.gz LGOXOAZTLFORKK-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985751167 724854109 /nfs/dbraw/zinc/85/41/09/724854109.db2.gz LGOXOAZTLFORKK-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789123 724886498 /nfs/dbraw/zinc/88/64/98/724886498.db2.gz IHTSUDDSTXGOOH-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985789123 724886501 /nfs/dbraw/zinc/88/65/01/724886501.db2.gz IHTSUDDSTXGOOH-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000985790838 724888165 /nfs/dbraw/zinc/88/81/65/724888165.db2.gz ZAVLUAWNTGTSNP-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000985790838 724888168 /nfs/dbraw/zinc/88/81/68/724888168.db2.gz ZAVLUAWNTGTSNP-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C)c1 ZINC000986815244 724895155 /nfs/dbraw/zinc/89/51/55/724895155.db2.gz SIIBTKKDIUTKSO-BEFAXECRSA-N 1 3 347.478 2.555 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC000985803800 724898070 /nfs/dbraw/zinc/89/80/70/724898070.db2.gz JZVHIGJEICOECX-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC(C)C2)CC1 ZINC000985803800 724898071 /nfs/dbraw/zinc/89/80/71/724898071.db2.gz JZVHIGJEICOECX-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986939749 724962304 /nfs/dbraw/zinc/96/23/04/724962304.db2.gz OFGDXILJOWXUDV-RDJZCZTQSA-N 1 3 349.544 2.602 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001029995791 724983038 /nfs/dbraw/zinc/98/30/38/724983038.db2.gz YVYSSVRHIDFJHI-TVRKMHQQSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC001029995791 724983041 /nfs/dbraw/zinc/98/30/41/724983041.db2.gz YVYSSVRHIDFJHI-TVRKMHQQSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986961105 724991858 /nfs/dbraw/zinc/99/18/58/724991858.db2.gz RTVRXAPZYTWYDO-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[N@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC001030000038 724994605 /nfs/dbraw/zinc/99/46/05/724994605.db2.gz QTXIEIFBGAPGJE-UHFFFAOYSA-N 1 3 346.500 2.693 20 0 EFADHO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cs1 ZINC001030000038 724994607 /nfs/dbraw/zinc/99/46/07/724994607.db2.gz QTXIEIFBGAPGJE-UHFFFAOYSA-N 1 3 346.500 2.693 20 0 EFADHO C[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001030013183 725436110 /nfs/dbraw/zinc/43/61/10/725436110.db2.gz AAPXZXUNNBLYAW-AQNXPRMDSA-N 1 3 347.547 2.689 20 0 EFADHO C[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001030013183 725436111 /nfs/dbraw/zinc/43/61/11/725436111.db2.gz AAPXZXUNNBLYAW-AQNXPRMDSA-N 1 3 347.547 2.689 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014903 725464020 /nfs/dbraw/zinc/46/40/20/725464020.db2.gz UMIYFZSMBQSNLK-QWFCFKBJSA-N 1 3 333.520 2.774 20 0 EFADHO CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014903 725464023 /nfs/dbraw/zinc/46/40/23/725464023.db2.gz UMIYFZSMBQSNLK-QWFCFKBJSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014839 725464089 /nfs/dbraw/zinc/46/40/89/725464089.db2.gz SPWWXYUZDJONLI-NLWGTHIKSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014839 725464093 /nfs/dbraw/zinc/46/40/93/725464093.db2.gz SPWWXYUZDJONLI-NLWGTHIKSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066655 725477514 /nfs/dbraw/zinc/47/75/14/725477514.db2.gz KXLNTCYANDISDZ-LIRRHRJNSA-N 1 3 338.455 2.609 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071955 725483538 /nfs/dbraw/zinc/48/35/38/725483538.db2.gz YZOUOHSUDFYQOB-KUHUBIRLSA-N 1 3 338.455 2.609 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071956 725483663 /nfs/dbraw/zinc/48/36/63/725483663.db2.gz YZOUOHSUDFYQOB-LIRRHRJNSA-N 1 3 338.455 2.609 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC000987251211 725611952 /nfs/dbraw/zinc/61/19/52/725611952.db2.gz ARJHNIQHXOIXPG-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@H](F)CN1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992282728 725671936 /nfs/dbraw/zinc/67/19/36/725671936.db2.gz IWRBWBSKRRTDBR-LNLFQRSKSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC000987526746 725735590 /nfs/dbraw/zinc/73/55/90/725735590.db2.gz RWFJVYMWBDFYAM-YOEHRIQHSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)CN1CCCC1 ZINC000987530003 725736444 /nfs/dbraw/zinc/73/64/44/725736444.db2.gz FXUKPYZRUZEHOM-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cc3ccccc3o2)CCN1C(=O)CN1CCCC1 ZINC000987521110 725737946 /nfs/dbraw/zinc/73/79/46/725737946.db2.gz XHGWQVVKXOGRJX-CRAIPNDOSA-N 1 3 341.455 2.608 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987521289 725738055 /nfs/dbraw/zinc/73/80/55/725738055.db2.gz ZUUHRJGUGXSVCD-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987523841 725739276 /nfs/dbraw/zinc/73/92/76/725739276.db2.gz KRGHCKMXEFXVMA-RHSMWYFYSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987533778 725741370 /nfs/dbraw/zinc/74/13/70/725741370.db2.gz UBAQTPAEYYPRPR-YLJYHZDGSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)s1 ZINC000987535787 725742599 /nfs/dbraw/zinc/74/25/99/725742599.db2.gz ZATAWXNEXGTDFD-WMLDXEAASA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]1[C@@H](NCc2ccccc2F)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000987571558 725760707 /nfs/dbraw/zinc/76/07/07/725760707.db2.gz QWLFJMWDWFMYAX-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000151920519 725867778 /nfs/dbraw/zinc/86/77/78/725867778.db2.gz QRMBXRJANYGNBR-UHFFFAOYSA-N 1 3 339.524 2.955 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@H]2[N@H+](CC2CC2)CC3)c1 ZINC000992510266 725913458 /nfs/dbraw/zinc/91/34/58/725913458.db2.gz PHUPYHFVWLVOLP-TZIWHRDSSA-N 1 3 341.499 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)c1 ZINC000992510266 725913460 /nfs/dbraw/zinc/91/34/60/725913460.db2.gz PHUPYHFVWLVOLP-TZIWHRDSSA-N 1 3 341.499 2.885 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992515677 725918853 /nfs/dbraw/zinc/91/88/53/725918853.db2.gz ZOJWZVQLGWIYGO-QUCCMNQESA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@@H]12 ZINC000992515677 725918857 /nfs/dbraw/zinc/91/88/57/725918857.db2.gz ZOJWZVQLGWIYGO-QUCCMNQESA-N 1 3 329.488 2.883 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CCCC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390188 726277318 /nfs/dbraw/zinc/27/73/18/726277318.db2.gz BYNJQWMCFIIPEI-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CCCC2CCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015390188 726277322 /nfs/dbraw/zinc/27/73/22/726277322.db2.gz BYNJQWMCFIIPEI-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)CCCC[NH+]1CCCC1 ZINC000729342070 726317115 /nfs/dbraw/zinc/31/71/15/726317115.db2.gz WUHASSXVJYHXRQ-UHFFFAOYSA-N 1 3 349.494 2.982 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992923827 726340870 /nfs/dbraw/zinc/34/08/70/726340870.db2.gz IINNODUGHRLYBF-QXAKKESOSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992926724 726342596 /nfs/dbraw/zinc/34/25/96/726342596.db2.gz QGVONXJEDXFMMT-MISYRCLQSA-N 1 3 343.515 2.987 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992926519 726342629 /nfs/dbraw/zinc/34/26/29/726342629.db2.gz OWHKFSHOXPBMTF-IPMKNSEASA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992926723 726342642 /nfs/dbraw/zinc/34/26/42/726342642.db2.gz QGVONXJEDXFMMT-DFQSSKMNSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@@H](c1ccccc1)N(C)C ZINC000907449487 726947431 /nfs/dbraw/zinc/94/74/31/726947431.db2.gz WZRYPVHCLUHAHK-NQYYFHDYSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@@H](c1ccccc1)N(C)C ZINC000907449487 726947434 /nfs/dbraw/zinc/94/74/34/726947434.db2.gz WZRYPVHCLUHAHK-NQYYFHDYSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000732134305 726995255 /nfs/dbraw/zinc/99/52/55/726995255.db2.gz UNGGVTHDUKJHIX-SFHVURJKSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908191197 727127091 /nfs/dbraw/zinc/12/70/91/727127091.db2.gz RGGFYQDMXGFZLP-YJBOKZPZSA-N 1 3 340.471 2.990 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994252508 727674721 /nfs/dbraw/zinc/67/47/21/727674721.db2.gz MBOFDCVWHTZOOP-MJGOQNOKSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000912811792 727747371 /nfs/dbraw/zinc/74/73/71/727747371.db2.gz NXXDYOXZNARHRX-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000151141891 727789468 /nfs/dbraw/zinc/78/94/68/727789468.db2.gz CYGKKDMLGXRLKI-MRXNPFEDSA-N 1 3 346.475 2.885 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)C1)N1CCCC1 ZINC000995047708 727913419 /nfs/dbraw/zinc/91/34/19/727913419.db2.gz AGDKMQWMQVUXLM-OALUTQOASA-N 1 3 343.515 2.936 20 0 EFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)C(N)=O)ccc1OC ZINC000183210668 727991132 /nfs/dbraw/zinc/99/11/32/727991132.db2.gz MCKWEDIIHVVNBW-AWEZNQCLSA-N 1 3 335.492 2.699 20 0 EFADHO CCN(CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)C(=O)NC)ccc1OC ZINC000183221949 727995261 /nfs/dbraw/zinc/99/52/61/727995261.db2.gz GILSBTGRSAPIAW-HNNXBMFYSA-N 1 3 349.519 2.960 20 0 EFADHO CC[C@@H](CNC(=O)CCCCCC[NH3+])N1CCc2ccccc2C1 ZINC000164946866 728000513 /nfs/dbraw/zinc/00/05/13/728000513.db2.gz ABEDSMMINYWEFL-IBGZPJMESA-N 1 3 331.504 2.849 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CCCCNC2=O)ccc1OC ZINC000182339415 728092337 /nfs/dbraw/zinc/09/23/37/728092337.db2.gz PWUYBJFMNBYLRL-MAUKXSAKSA-N 1 3 347.503 2.856 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000995185509 728204771 /nfs/dbraw/zinc/20/47/71/728204771.db2.gz OJNRWLUBNBOABC-MSOLQXFVSA-N 1 3 340.471 2.644 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000226564203 728260218 /nfs/dbraw/zinc/26/02/18/728260218.db2.gz LSYLPXDGGITGSF-HZPDHXFCSA-N 1 3 327.513 3.000 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(Cc3ccccc3C)C2)C1 ZINC001031917141 728343562 /nfs/dbraw/zinc/34/35/62/728343562.db2.gz OBIPEZVUTNOATN-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(Cc3ccccc3C)C2)C1 ZINC001031917141 728343564 /nfs/dbraw/zinc/34/35/64/728343564.db2.gz OBIPEZVUTNOATN-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000948755534 728344999 /nfs/dbraw/zinc/34/49/99/728344999.db2.gz CGVZLBQPIRLDJQ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000948755534 728345002 /nfs/dbraw/zinc/34/50/02/728345002.db2.gz CGVZLBQPIRLDJQ-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(Cc3cccc(C)c3)C2)C1 ZINC001031918937 728360252 /nfs/dbraw/zinc/36/02/52/728360252.db2.gz XFSDOQUTMSEJLR-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2CN(Cc3cccc(C)c3)C2)C1 ZINC001031918937 728360253 /nfs/dbraw/zinc/36/02/53/728360253.db2.gz XFSDOQUTMSEJLR-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC000948770667 728377728 /nfs/dbraw/zinc/37/77/28/728377728.db2.gz KBJDJAVEKVRKML-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC000948770667 728377729 /nfs/dbraw/zinc/37/77/29/728377729.db2.gz KBJDJAVEKVRKML-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031925337 728400726 /nfs/dbraw/zinc/40/07/26/728400726.db2.gz FJLMAEPFLLLEIV-BXWFABGCSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031925337 728400728 /nfs/dbraw/zinc/40/07/28/728400728.db2.gz FJLMAEPFLLLEIV-BXWFABGCSA-N 1 3 329.488 2.526 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC000995233750 728421789 /nfs/dbraw/zinc/42/17/89/728421789.db2.gz QESPYWAPODHJAY-AEFFLSMTSA-N 1 3 329.488 2.646 20 0 EFADHO CC(C)[C@H](CNC1CC(NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000229838176 728538739 /nfs/dbraw/zinc/53/87/39/728538739.db2.gz GRZHJKWBVBFXJQ-GPANFISMSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040848151 729089437 /nfs/dbraw/zinc/08/94/37/729089437.db2.gz FHDFHJRIMPXRCG-ZWKOTPCHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001040849741 729097987 /nfs/dbraw/zinc/09/79/87/729097987.db2.gz VXWZNLJBIDQPBK-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)C1 ZINC000925474442 729111401 /nfs/dbraw/zinc/11/14/01/729111401.db2.gz JKLHOUBNPWSLBG-FVQBIDKESA-N 1 3 333.442 2.629 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001031665786 729199810 /nfs/dbraw/zinc/19/98/10/729199810.db2.gz HHMPGWCQVXPCOA-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000920758489 729228216 /nfs/dbraw/zinc/22/82/16/729228216.db2.gz GTWCJMPMYZTXEB-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)NCCCN1CCc2ccccc2C1 ZINC000920763393 729228588 /nfs/dbraw/zinc/22/85/88/729228588.db2.gz VRBZVJCDOFNHMZ-UHFFFAOYSA-N 1 3 343.515 2.817 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1C ZINC000175013872 729472130 /nfs/dbraw/zinc/47/21/30/729472130.db2.gz GMUBEEAZBRIMLN-ZWKOTPCHSA-N 1 3 348.487 2.818 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001031711612 729491645 /nfs/dbraw/zinc/49/16/45/729491645.db2.gz JBIWWDZHLWXQJQ-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cc(C)ccc2C)C1 ZINC001031711612 729491648 /nfs/dbraw/zinc/49/16/48/729491648.db2.gz JBIWWDZHLWXQJQ-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001031712399 729495348 /nfs/dbraw/zinc/49/53/48/729495348.db2.gz XZYDLDWSHSCCLB-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001031712399 729495350 /nfs/dbraw/zinc/49/53/50/729495350.db2.gz XZYDLDWSHSCCLB-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031714531 729498837 /nfs/dbraw/zinc/49/88/37/729498837.db2.gz KNKLNINIVFQMOJ-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](c1ccccc1)N1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031762757 729771156 /nfs/dbraw/zinc/77/11/56/729771156.db2.gz TXDQNGDYIGSLDD-QGZVFWFLSA-N 1 3 341.499 2.672 20 0 EFADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCc1ccccc1Cl ZINC000939064262 729780703 /nfs/dbraw/zinc/78/07/03/729780703.db2.gz TULWJOPSDOYBAE-KDOFPFPSSA-N 1 3 349.906 2.618 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550423627 1126206601 /nfs/dbraw/zinc/20/66/01/1126206601.db2.gz PQFPKPXXKIFVHO-ATLSCFEFSA-N 1 3 337.533 2.665 20 0 EFADHO CCc1ncc(CN[C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@@H]2O)s1 ZINC001550423627 1126206604 /nfs/dbraw/zinc/20/66/04/1126206604.db2.gz PQFPKPXXKIFVHO-ATLSCFEFSA-N 1 3 337.533 2.665 20 0 EFADHO CC[N@@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C4CC4)s3)C2)[C@@H]1C(C)C ZINC001550423131 1126206687 /nfs/dbraw/zinc/20/66/87/1126206687.db2.gz ICCBOLYGLOQHNR-DWRORGKVSA-N 1 3 349.544 2.980 20 0 EFADHO CC[N@H+]1C[C@]2(C[C@H](O)[C@@H](NCc3cnc(C4CC4)s3)C2)[C@@H]1C(C)C ZINC001550423131 1126206688 /nfs/dbraw/zinc/20/66/88/1126206688.db2.gz ICCBOLYGLOQHNR-DWRORGKVSA-N 1 3 349.544 2.980 20 0 EFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503874 1087803113 /nfs/dbraw/zinc/80/31/13/1087803113.db2.gz MCGMPAAWOGHUSP-WCIQWLHISA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503874 1087803136 /nfs/dbraw/zinc/80/31/36/1087803136.db2.gz MCGMPAAWOGHUSP-WCIQWLHISA-N 1 3 343.515 2.777 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514112 1087816472 /nfs/dbraw/zinc/81/64/72/1087816472.db2.gz GOUKIAAUPQBLTL-DAYGRLMNSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514112 1087816492 /nfs/dbraw/zinc/81/64/92/1087816492.db2.gz GOUKIAAUPQBLTL-DAYGRLMNSA-N 1 3 340.895 2.710 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC001646514112 1087816519 /nfs/dbraw/zinc/81/65/19/1087816519.db2.gz GOUKIAAUPQBLTL-DAYGRLMNSA-N 1 3 340.895 2.710 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2C[C@@H](CC[NH3+])Cc3ccccc32)C1 ZINC001575141325 1088264445 /nfs/dbraw/zinc/26/44/45/1088264445.db2.gz WSVRBFDNHXHYKP-MGPUTAFESA-N 1 3 347.478 2.753 20 0 EFADHO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cccc2c1CNC2 ZINC001646782832 1088264891 /nfs/dbraw/zinc/26/48/91/1088264891.db2.gz BAYUTEHUWCZFPB-UHFFFAOYSA-N 1 3 342.468 2.774 20 0 EFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@@H](C[NH3+])C1CCCC1 ZINC001575170768 1088287826 /nfs/dbraw/zinc/28/78/26/1088287826.db2.gz VHZKBPDQEKAOER-KGLIPLIRSA-N 1 3 347.450 2.738 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CCCN(Cc3ccc(C[NH3+])cc3)[C@@H]2C1 ZINC001575202724 1088304185 /nfs/dbraw/zinc/30/41/85/1088304185.db2.gz RTXYLBQREPUXBZ-ZWKOTPCHSA-N 1 3 345.487 2.977 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@]2(NC[C@@H]3CCCC[NH2+]C3)CCC[C@@H]12 ZINC001575201773 1088304617 /nfs/dbraw/zinc/30/46/17/1088304617.db2.gz KAPPXSPGGCFJSS-MDZRGWNJSA-N 1 3 337.508 2.898 20 0 EFADHO N[C@H](CC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1)c1ccccc1 ZINC001646812679 1088310724 /nfs/dbraw/zinc/31/07/24/1088310724.db2.gz CGZZDKOPMSWQOX-LJQANCHMSA-N 1 3 337.467 2.596 20 0 EFADHO CC(C)(C)OC(=O)NCC1(C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC001575218564 1088313814 /nfs/dbraw/zinc/31/38/14/1088313814.db2.gz MOZVBUXIZQJYMS-KXBFYZLASA-N 1 3 337.508 2.742 20 0 EFADHO CC(C)(C)OC(=O)NCC1(C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)CCC1 ZINC001575218564 1088313832 /nfs/dbraw/zinc/31/38/32/1088313832.db2.gz MOZVBUXIZQJYMS-KXBFYZLASA-N 1 3 337.508 2.742 20 0 EFADHO C[C@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC001646843655 1088357000 /nfs/dbraw/zinc/35/70/00/1088357000.db2.gz BGHRORFDVYXIMP-JVPBZIDWSA-N 1 3 343.446 2.881 20 0 EFADHO CC(C)(O)CN1CCc2c(cccc2NC(=O)CCCCCC[NH3+])C1 ZINC001575380615 1088427862 /nfs/dbraw/zinc/42/78/62/1088427862.db2.gz XSLQHMYKMLUQAV-UHFFFAOYSA-N 1 3 347.503 2.663 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001575534251 1088540070 /nfs/dbraw/zinc/54/00/70/1088540070.db2.gz GPUIPXZWXBKYAY-YVWKXTFCSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)COc1ccccc1CNC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001575616504 1088590994 /nfs/dbraw/zinc/59/09/94/1088590994.db2.gz ABQAZPFNKCAFGN-SFHVURJKSA-N 1 3 332.488 2.970 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC2([NH3+])CCC2)N(C)C)cc1 ZINC001575648510 1088608956 /nfs/dbraw/zinc/60/89/56/1088608956.db2.gz MYDLVBSOWPXWQA-SFHVURJKSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)[C@H]1CN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCN1 ZINC001575843375 1088726893 /nfs/dbraw/zinc/72/68/93/1088726893.db2.gz WESJIZJCZKNSSW-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H]1CN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCN1 ZINC001575843375 1088726908 /nfs/dbraw/zinc/72/69/08/1088726908.db2.gz WESJIZJCZKNSSW-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001647085167 1088861915 /nfs/dbraw/zinc/86/19/15/1088861915.db2.gz JTRGQOSQYDGLED-RBUKOAKNSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC001576117191 1088943676 /nfs/dbraw/zinc/94/36/76/1088943676.db2.gz JKJWHYXXYXUECZ-APWZRJJASA-N 1 3 329.488 2.872 20 0 EFADHO C[C@H]([NH3+])C1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC001576120638 1088946246 /nfs/dbraw/zinc/94/62/46/1088946246.db2.gz XIAYGUTWBGOPQE-AWEZNQCLSA-N 1 3 337.895 2.736 20 0 EFADHO C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H](c1ccccc1)N(C)C ZINC001576187208 1088989030 /nfs/dbraw/zinc/98/90/30/1088989030.db2.gz YZJNXEOUROLODN-YMXYOLSSSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C)c1cccc(Cl)c1CN(C)CCCN(C)CC[NH+](C)C ZINC001647197323 1089069624 /nfs/dbraw/zinc/06/96/24/1089069624.db2.gz FAHCWIZWDDVDTF-UHFFFAOYSA-N 1 3 340.943 2.721 20 0 EFADHO O=C1[C@H](N2CCCC3(CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC001647243764 1089154527 /nfs/dbraw/zinc/15/45/27/1089154527.db2.gz PUISSBVJDDZVGM-QGZVFWFLSA-N 1 3 347.890 2.911 20 0 EFADHO NC1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)Cc2ccccc2C1 ZINC001647247147 1089159226 /nfs/dbraw/zinc/15/92/26/1089159226.db2.gz CBNHMDJLNKQUCE-UHFFFAOYSA-N 1 3 335.451 2.717 20 0 EFADHO C[C@]1(c2cccc(F)c2)CCN(Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC001576559580 1089330594 /nfs/dbraw/zinc/33/05/94/1089330594.db2.gz BVEZXEWUXQISSH-FQEVSTJZSA-N 1 3 343.446 2.992 20 0 EFADHO C[C@@H]1C[C@H](CN2C[C@@H]3CCC[C@]3([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001576596992 1089344925 /nfs/dbraw/zinc/34/49/25/1089344925.db2.gz CPUAMOOZYHSYRG-JEWRLFTDSA-N 1 3 337.508 2.835 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576599569 1089349509 /nfs/dbraw/zinc/34/95/09/1089349509.db2.gz TWZAPYJXGGOIKE-LTIDMASMSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576599569 1089349517 /nfs/dbraw/zinc/34/95/17/1089349517.db2.gz TWZAPYJXGGOIKE-LTIDMASMSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001576669894 1089387290 /nfs/dbraw/zinc/38/72/90/1089387290.db2.gz BSKODXREKPTVIB-YKTARERQSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1CC[C@H](NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C[NH2+]1 ZINC001576671067 1089388253 /nfs/dbraw/zinc/38/82/53/1089388253.db2.gz PVSNCJGOPMECOX-YYAJDYIMSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC001576700333 1089402460 /nfs/dbraw/zinc/40/24/60/1089402460.db2.gz QLYHLDXDCDNXLW-UKBAYJJMSA-N 1 3 344.503 2.591 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@]23CC[C@H]2C[NH2+]C3)c2ccccc2)CC1 ZINC001576729586 1089423731 /nfs/dbraw/zinc/42/37/31/1089423731.db2.gz SAQGJJZDNXETGU-ZVDOUQERSA-N 1 3 341.499 2.575 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H]1CC[C@H](C[NH3+])CC1 ZINC001576782839 1089457559 /nfs/dbraw/zinc/45/75/59/1089457559.db2.gz KVFJFEIXMSMWDN-JYJNAYRXSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC001576808909 1089468712 /nfs/dbraw/zinc/46/87/12/1089468712.db2.gz KBINKGYPNGQRSD-YFVAEKQCSA-N 1 3 343.515 2.875 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC001647558827 1089545093 /nfs/dbraw/zinc/54/50/93/1089545093.db2.gz OBMLEGHAXONRIP-FQEVSTJZSA-N 1 3 343.446 2.756 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001576970865 1089552581 /nfs/dbraw/zinc/55/25/81/1089552581.db2.gz MNGKYFNBOYGEKV-JXFKEZNVSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001576970865 1089552591 /nfs/dbraw/zinc/55/25/91/1089552591.db2.gz MNGKYFNBOYGEKV-JXFKEZNVSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC001576982140 1089562625 /nfs/dbraw/zinc/56/26/25/1089562625.db2.gz SBAOFJCJIOVMIG-JLJPHGGASA-N 1 3 339.911 2.865 20 0 EFADHO CC[C@@H](NCc1ccc2c(c1)C[NH2+]CC2)C(=O)NCc1cccs1 ZINC001577176158 1089721762 /nfs/dbraw/zinc/72/17/62/1089721762.db2.gz UTMXPNPBWVVTIW-GOSISDBHSA-N 1 3 343.496 2.578 20 0 EFADHO CC[C@H]1CN(Cc2ccccc2-n2nnc3ccccc32)CC[C@H]1[NH3+] ZINC001577279201 1089795347 /nfs/dbraw/zinc/79/53/47/1089795347.db2.gz AIJRZNVACQHUCE-DOTOQJQBSA-N 1 3 335.455 2.980 20 0 EFADHO CCCN(C(=O)NCCCCCC1CC[NH2+]CC1)[C@@H]1CCN(C)C1 ZINC001577488930 1090002895 /nfs/dbraw/zinc/00/28/95/1090002895.db2.gz NRUHVLXIQQQJKA-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCN(C(=O)N[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001577492583 1090006510 /nfs/dbraw/zinc/00/65/10/1090006510.db2.gz YNLZGQGLWZZXDZ-GUDVDZBRSA-N 1 3 344.503 2.562 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001577495390 1090008089 /nfs/dbraw/zinc/00/80/89/1090008089.db2.gz IFABHSQQYKUSAF-WMZOPIPTSA-N 1 3 337.895 2.839 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC001577495312 1090008283 /nfs/dbraw/zinc/00/82/83/1090008283.db2.gz CLYWLPMTFPKPNL-XJKSGUPXSA-N 1 3 325.884 2.695 20 0 EFADHO CCCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001577516652 1090028636 /nfs/dbraw/zinc/02/86/36/1090028636.db2.gz ZMVDVYUQMGHIOB-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCN(CC)C(=O)c1ccc(CNCc2ccc(C[NH3+])cc2)cc1 ZINC001577677236 1090122181 /nfs/dbraw/zinc/12/21/81/1090122181.db2.gz DSGGNLMMRWZZBB-UHFFFAOYSA-N 1 3 325.456 2.917 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)c2cc3c(s2)CNCC3)CC1 ZINC001577684718 1090126081 /nfs/dbraw/zinc/12/60/81/1090126081.db2.gz ISBBJEGPGHEHAM-UHFFFAOYSA-N 1 3 335.517 2.588 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c(s1)CNCC2 ZINC001577691095 1090128371 /nfs/dbraw/zinc/12/83/71/1090128371.db2.gz KNUZVCILYIAOCD-UHFFFAOYSA-N 1 3 337.533 2.834 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001577881116 1090204061 /nfs/dbraw/zinc/20/40/61/1090204061.db2.gz LXGPNWACJCCFQC-WWDZGPRUSA-N 1 3 338.540 2.526 20 0 EFADHO CCOC(=O)c1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)[nH]1 ZINC001578059022 1090240898 /nfs/dbraw/zinc/24/08/98/1090240898.db2.gz JVHAARAMUBPHAD-UHFFFAOYSA-N 1 3 341.455 2.684 20 0 EFADHO CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC001578229520 1090314574 /nfs/dbraw/zinc/31/45/74/1090314574.db2.gz LUHPQBVEQBRSNM-WBAXXEDZSA-N 1 3 335.492 2.566 20 0 EFADHO CN(C[C@@H]1CCCC[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001578452806 1090375186 /nfs/dbraw/zinc/37/51/86/1090375186.db2.gz VZPOTDDAPULVSM-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)C12CCC(CC1)[NH2+]2 ZINC001578483392 1090383355 /nfs/dbraw/zinc/38/33/55/1090383355.db2.gz WPKVEXHYLGMSGG-SCCNAQOGSA-N 1 3 341.499 2.784 20 0 EFADHO C[NH2+]CCOCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC001578709746 1090423555 /nfs/dbraw/zinc/42/35/55/1090423555.db2.gz KBKFINFSQRCDJY-UHFFFAOYSA-N 1 3 342.487 2.551 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC001578716597 1090425547 /nfs/dbraw/zinc/42/55/47/1090425547.db2.gz RJPMWGMJNJEWMY-OXQOHEQNSA-N 1 3 339.483 2.870 20 0 EFADHO COC(=O)/C=C\c1ccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC001578797554 1090445494 /nfs/dbraw/zinc/44/54/94/1090445494.db2.gz OLZKEMPDRSTBOG-VSYZWBEMSA-N 1 3 346.471 2.557 20 0 EFADHO COC(=O)c1ccc(OC)c(CN2CCC3(C[NH2+][C@H]3C(C)C)CC2)c1 ZINC001578872932 1090460190 /nfs/dbraw/zinc/46/01/90/1090460190.db2.gz MYOFFWMHXYDDLB-SFHVURJKSA-N 1 3 346.471 2.692 20 0 EFADHO COC(=O)c1ccccc1-c1ccc(CN2CC3(C2)CC[NH2+]CC3)o1 ZINC001578881126 1090463045 /nfs/dbraw/zinc/46/30/45/1090463045.db2.gz WPAQTAMMBCKQKB-UHFFFAOYSA-N 1 3 340.423 2.919 20 0 EFADHO COCOc1ccc(OC)cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001579078725 1090515354 /nfs/dbraw/zinc/51/53/54/1090515354.db2.gz XREBWNOSFPOJPT-KRWDZBQOSA-N 1 3 348.487 2.890 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C[C@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001579387549 1090602358 /nfs/dbraw/zinc/60/23/58/1090602358.db2.gz GIMMPSDSQCNZGI-WBVHZDCISA-N 1 3 337.533 2.891 20 0 EFADHO C[C@@H]1CCCN(C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H]1CCC[NH3+] ZINC001579420986 1090608970 /nfs/dbraw/zinc/60/89/70/1090608970.db2.gz QUVCKLQDVHLEEI-KBAYOESNSA-N 1 3 336.524 2.552 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cnn1C ZINC001579530706 1090627507 /nfs/dbraw/zinc/62/75/07/1090627507.db2.gz WNNOFZZOMAZYBU-VQTJNVASSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cnn1C ZINC001579530706 1090627510 /nfs/dbraw/zinc/62/75/10/1090627510.db2.gz WNNOFZZOMAZYBU-VQTJNVASSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@@H](CN)C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cnn1C ZINC001579530701 1090627604 /nfs/dbraw/zinc/62/76/04/1090627604.db2.gz WNNOFZZOMAZYBU-PMACEKPBSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@@H](CN)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cnn1C ZINC001579530701 1090627607 /nfs/dbraw/zinc/62/76/07/1090627607.db2.gz WNNOFZZOMAZYBU-PMACEKPBSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@@H](CN)C[NH2+]C2CC(C)(c3ccccc3)C2)cnn1C ZINC001579529086 1090627747 /nfs/dbraw/zinc/62/77/47/1090627747.db2.gz BEWVCALSLKHWFR-DZIBYMRMSA-N 1 3 326.488 2.556 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cnn1C ZINC001579530708 1090627777 /nfs/dbraw/zinc/62/77/77/1090627777.db2.gz WNNOFZZOMAZYBU-WOJBJXKFSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cnn1C ZINC001579530708 1090627783 /nfs/dbraw/zinc/62/77/83/1090627783.db2.gz WNNOFZZOMAZYBU-WOJBJXKFSA-N 1 3 340.515 2.801 20 0 EFADHO Cc1cc(-n2ccnc2)ccc1CN1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579548439 1090631117 /nfs/dbraw/zinc/63/11/17/1090631117.db2.gz UPBLRDKXCPWEHY-QGZVFWFLSA-N 1 3 340.471 2.524 20 0 EFADHO Cc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)c2c(n1)CCCC2 ZINC001579598470 1090640267 /nfs/dbraw/zinc/64/02/67/1090640267.db2.gz XHFQYQJERXIKOC-QGZVFWFLSA-N 1 3 329.488 2.599 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]([NH3+])C3CCCCCC3)C2)cc1 ZINC001579691039 1090663459 /nfs/dbraw/zinc/66/34/59/1090663459.db2.gz ISUUBXBVRWMQLE-VQTJNVASSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3(CN)CC3)C2)cc1 ZINC001579719514 1090670136 /nfs/dbraw/zinc/67/01/36/1090670136.db2.gz FSTAMHNURUMOGV-INIZCTEOSA-N 1 3 330.476 2.567 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3(CN)CC3)C2)cc1 ZINC001579719514 1090670141 /nfs/dbraw/zinc/67/01/41/1090670141.db2.gz FSTAMHNURUMOGV-INIZCTEOSA-N 1 3 330.476 2.567 20 0 EFADHO Cc1cccc(CN2CC[C@H](NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C2)c1 ZINC001579761029 1090680725 /nfs/dbraw/zinc/68/07/25/1090680725.db2.gz VBTFRNDEMJTFPG-SXLOBPIMSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(C[C@H]3CC[C@H](C[NH3+])CC3)CC2)c1 ZINC001579767458 1090683019 /nfs/dbraw/zinc/68/30/19/1090683019.db2.gz BORBJSPEMSZBQC-IYARVYRRSA-N 1 3 344.503 2.910 20 0 EFADHO Cn1cc(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C2CCCC2)n1 ZINC001579961703 1090733475 /nfs/dbraw/zinc/73/34/75/1090733475.db2.gz RHHHJINMZLOSEW-AZUAARDMSA-N 1 3 346.519 2.796 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216081 1090814619 /nfs/dbraw/zinc/81/46/19/1090814619.db2.gz UHTLQCSWTAFNOG-MOPGFXCFSA-N 1 3 325.456 2.959 20 0 EFADHO NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216081 1090814624 /nfs/dbraw/zinc/81/46/24/1090814624.db2.gz UHTLQCSWTAFNOG-MOPGFXCFSA-N 1 3 325.456 2.959 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216082 1090815259 /nfs/dbraw/zinc/81/52/59/1090815259.db2.gz UHTLQCSWTAFNOG-OALUTQOASA-N 1 3 325.456 2.959 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc[nH]c(=O)c1 ZINC001580216082 1090815265 /nfs/dbraw/zinc/81/52/65/1090815265.db2.gz UHTLQCSWTAFNOG-OALUTQOASA-N 1 3 325.456 2.959 20 0 EFADHO [NH3+]C[C@@]12CN([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CCCC2 ZINC001580255165 1090834979 /nfs/dbraw/zinc/83/49/79/1090834979.db2.gz HVIJLCNHBJFNIO-LJHODMEESA-N 1 3 347.890 2.896 20 0 EFADHO [NH3+]C[C@@H]1CCCC12CCN(Cc1cc(-c3ccccn3)n[nH]1)CC2 ZINC001580260106 1090837711 /nfs/dbraw/zinc/83/77/11/1090837711.db2.gz KQLMBXXJIXIRCN-HNNXBMFYSA-N 1 3 325.460 2.813 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)C(C[C@@H]1CCCO1)C(F)(F)F ZINC001580780100 1091006663 /nfs/dbraw/zinc/00/66/63/1091006663.db2.gz IKEHNBDQYJSVGP-WCQYABFASA-N 1 3 328.334 2.976 20 0 EFADHO O=C1COc2ccc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)cc2N1 ZINC001580850061 1091026643 /nfs/dbraw/zinc/02/66/43/1091026643.db2.gz OKOQYAPMQHBVBN-INIZCTEOSA-N 1 3 343.471 2.619 20 0 EFADHO OCC1([C@@H](NCc2ccc3c(c2)C[NH2+]CC3)c2ccncc2)CCC1 ZINC001580881200 1091033708 /nfs/dbraw/zinc/03/37/08/1091033708.db2.gz CJUCXVZNLKOVQW-FQEVSTJZSA-N 1 3 337.467 2.721 20 0 EFADHO CC[C@@H](C[NH2+]C1(CNC(=O)C(C)(C)N(C)CC)CCCCC1)OC ZINC001115601756 1092662198 /nfs/dbraw/zinc/66/21/98/1092662198.db2.gz PZZWGKWLPARKJD-INIZCTEOSA-N 1 3 341.540 2.550 20 0 EFADHO C[NH2+][C@@H](C)CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001649836822 1092727050 /nfs/dbraw/zinc/72/70/50/1092727050.db2.gz LPJHCRSDDIECBQ-FUHWJXTLSA-N 1 3 332.492 2.511 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1N1CCN(C)CC1 ZINC001649838312 1092728909 /nfs/dbraw/zinc/72/89/09/1092728909.db2.gz HBAKTUYQERNINW-UYAOXDASSA-N 1 3 344.547 2.839 20 0 EFADHO CCN(C(=O)[C@H](C)N1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001649850134 1092738273 /nfs/dbraw/zinc/73/82/73/1092738273.db2.gz SANUVOYKTJQBGX-KRWDZBQOSA-N 1 3 329.488 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001087212709 1092867545 /nfs/dbraw/zinc/86/75/45/1092867545.db2.gz NAZSTOHOQSUWHM-NUJGCVRESA-N 1 3 349.544 2.949 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001087213035 1092872948 /nfs/dbraw/zinc/87/29/48/1092872948.db2.gz AYWLJFJKVOXNPI-AOIWGVFYSA-N 1 3 349.563 2.981 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006441 1092874548 /nfs/dbraw/zinc/87/45/48/1092874548.db2.gz HBRFBWIXONXGEF-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006441 1092874553 /nfs/dbraw/zinc/87/45/53/1092874553.db2.gz HBRFBWIXONXGEF-QFBILLFUSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075449911 1092874666 /nfs/dbraw/zinc/87/46/66/1092874666.db2.gz VPLFLGQEWWRRAW-ICSRJNTNSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075449911 1092874675 /nfs/dbraw/zinc/87/46/75/1092874675.db2.gz VPLFLGQEWWRRAW-ICSRJNTNSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075449913 1092874965 /nfs/dbraw/zinc/87/49/65/1092874965.db2.gz VPLFLGQEWWRRAW-UYAOXDASSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075449913 1092874976 /nfs/dbraw/zinc/87/49/76/1092874976.db2.gz VPLFLGQEWWRRAW-UYAOXDASSA-N 1 3 347.547 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453977 1093040217 /nfs/dbraw/zinc/04/02/17/1093040217.db2.gz HXAJVZHKRADQKQ-QFBILLFUSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453977 1093040223 /nfs/dbraw/zinc/04/02/23/1093040223.db2.gz HXAJVZHKRADQKQ-QFBILLFUSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[C@@H]([NH3+])C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC001650360414 1093184777 /nfs/dbraw/zinc/18/47/77/1093184777.db2.gz UAOLRDLJEWZUTA-IPELMVKDSA-N 1 3 347.503 2.712 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589956318 1093193598 /nfs/dbraw/zinc/19/35/98/1093193598.db2.gz OGOZJFTXEASFPE-AWEZNQCLSA-N 1 3 349.442 2.581 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589956318 1093193605 /nfs/dbraw/zinc/19/36/05/1093193605.db2.gz OGOZJFTXEASFPE-AWEZNQCLSA-N 1 3 349.442 2.581 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075458469 1093230501 /nfs/dbraw/zinc/23/05/01/1093230501.db2.gz HCNRUFFXQRFOEX-KRWDZBQOSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075458469 1093230505 /nfs/dbraw/zinc/23/05/05/1093230505.db2.gz HCNRUFFXQRFOEX-KRWDZBQOSA-N 1 3 344.503 2.703 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590141595 1093284505 /nfs/dbraw/zinc/28/45/05/1093284505.db2.gz KHPQRLHLMZNCEB-UHFFFAOYSA-N 1 3 340.475 2.753 20 0 EFADHO CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590141595 1093284514 /nfs/dbraw/zinc/28/45/14/1093284514.db2.gz KHPQRLHLMZNCEB-UHFFFAOYSA-N 1 3 340.475 2.753 20 0 EFADHO CC1CC[NH+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001590272918 1093353242 /nfs/dbraw/zinc/35/32/42/1093353242.db2.gz WRFVHUHKISZOBM-UHFFFAOYSA-N 1 3 346.454 2.608 20 0 EFADHO CC1CC[NH+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001590272918 1093353249 /nfs/dbraw/zinc/35/32/49/1093353249.db2.gz WRFVHUHKISZOBM-UHFFFAOYSA-N 1 3 346.454 2.608 20 0 EFADHO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590467563 1093439863 /nfs/dbraw/zinc/43/98/63/1093439863.db2.gz QHWAWXXSNRPQSO-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590467563 1093439867 /nfs/dbraw/zinc/43/98/67/1093439867.db2.gz QHWAWXXSNRPQSO-QGZVFWFLSA-N 1 3 328.464 2.639 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590688204 1093549556 /nfs/dbraw/zinc/54/95/56/1093549556.db2.gz XZSOLRILEFEHLH-RDTXWAMCSA-N 1 3 342.491 2.954 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590688204 1093549562 /nfs/dbraw/zinc/54/95/62/1093549562.db2.gz XZSOLRILEFEHLH-RDTXWAMCSA-N 1 3 342.491 2.954 20 0 EFADHO C[NH+](Cc1cc(C[N@@H+](C)C2CCC2)cc(-c2nnn[n-]2)c1)C1CCC1 ZINC001591130371 1093666548 /nfs/dbraw/zinc/66/65/48/1093666548.db2.gz KWXGNVAKKRSYOX-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO C[NH+](Cc1cc(C[N@H+](C)C2CCC2)cc(-c2nnn[n-]2)c1)C1CCC1 ZINC001591130371 1093666553 /nfs/dbraw/zinc/66/65/53/1093666553.db2.gz KWXGNVAKKRSYOX-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO C[NH+](Cc1cc(C[N@@H+](C)C2CCC2)cc(-c2nn[n-]n2)c1)C1CCC1 ZINC001591130371 1093666559 /nfs/dbraw/zinc/66/65/59/1093666559.db2.gz KWXGNVAKKRSYOX-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO C[NH+](Cc1cc(C[N@H+](C)C2CCC2)cc(-c2nn[n-]n2)c1)C1CCC1 ZINC001591130371 1093666561 /nfs/dbraw/zinc/66/65/61/1093666561.db2.gz KWXGNVAKKRSYOX-UHFFFAOYSA-N 1 3 340.475 2.835 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1)N(C)C ZINC001211623490 1094392681 /nfs/dbraw/zinc/39/26/81/1094392681.db2.gz IBQPBLCJYZKUDV-BLVYVPIDSA-N 1 3 349.906 2.663 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001481095249 1094457699 /nfs/dbraw/zinc/45/76/99/1094457699.db2.gz HBCACTQFFILWIM-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001481095249 1094457705 /nfs/dbraw/zinc/45/77/05/1094457705.db2.gz HBCACTQFFILWIM-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H](C(=O)NCC1CC([NH2+]CCCCCF)C1)N1CCCCCC1 ZINC001100732243 1094462977 /nfs/dbraw/zinc/46/29/77/1094462977.db2.gz ZBDZTEMVHOYLFH-AOCRQIFASA-N 1 3 341.515 2.875 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001267390284 1094466162 /nfs/dbraw/zinc/46/61/62/1094466162.db2.gz LZHAZJWUOQAUCM-OAHLLOKOSA-N 1 3 345.409 2.594 20 0 EFADHO CC(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641442 1094513492 /nfs/dbraw/zinc/51/34/92/1094513492.db2.gz RUMFLZXDAQZQLD-KZNAEPCWSA-N 1 3 325.541 2.693 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001267459466 1094572076 /nfs/dbraw/zinc/57/20/76/1094572076.db2.gz UVRJIDKTFXUBKZ-KRWDZBQOSA-N 1 3 339.911 2.517 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104676338 1094589939 /nfs/dbraw/zinc/58/99/39/1094589939.db2.gz FVMQMYOZVHPCDJ-FGTMMUONSA-N 1 3 337.552 2.981 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001104676626 1094591447 /nfs/dbraw/zinc/59/14/47/1094591447.db2.gz RVDYCANFZDLJEW-ZHALLVOQSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1 ZINC001104676600 1094592598 /nfs/dbraw/zinc/59/25/98/1094592598.db2.gz QWTMZJYGOWRGGN-KZNAEPCWSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]Cc3ccsc3)C2)C1 ZINC001104679102 1094602113 /nfs/dbraw/zinc/60/21/13/1094602113.db2.gz GJISYZAZIPNADZ-JFIYKMOQSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)[C@@H]1CN(CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC001207395520 1094608309 /nfs/dbraw/zinc/60/83/09/1094608309.db2.gz SNHAHRCLDQXIPO-KRWDZBQOSA-N 1 3 339.524 2.906 20 0 EFADHO CCC[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681108 1094613568 /nfs/dbraw/zinc/61/35/68/1094613568.db2.gz DRQLJPLJQZNUDU-MDZRGWNJSA-N 1 3 341.515 2.683 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001104690464 1094644293 /nfs/dbraw/zinc/64/42/93/1094644293.db2.gz FHDOPHUWKVBWGN-RLLQIKCJSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529547 1094747668 /nfs/dbraw/zinc/74/76/68/1094747668.db2.gz FMRCWCNHQQSOAZ-BJLQDIEVSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001104728826 1094763891 /nfs/dbraw/zinc/76/38/91/1094763891.db2.gz BNHRWVQJMJYGGN-HZPDHXFCSA-N 1 3 334.508 2.853 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001211691090 1094787260 /nfs/dbraw/zinc/78/72/60/1094787260.db2.gz UUQVPYIBDXFVQJ-VQTJNVASSA-N 1 3 343.515 2.879 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@H]2CCC[N@H+](CCF)[C@H]21 ZINC001087295725 1095056565 /nfs/dbraw/zinc/05/65/65/1095056565.db2.gz NECTVHGTEQYNCX-BRWVUGGUSA-N 1 3 344.434 2.523 20 0 EFADHO CC1(C)[C@H](NC(=O)c2ccn3cncc3c2)[C@H]2CCC[N@@H+](CCF)[C@H]21 ZINC001087295725 1095056579 /nfs/dbraw/zinc/05/65/79/1095056579.db2.gz NECTVHGTEQYNCX-BRWVUGGUSA-N 1 3 344.434 2.523 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001112531534 1095085962 /nfs/dbraw/zinc/08/59/62/1095085962.db2.gz BZYJHQUXMNXURV-ZWOKBUDYSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001112531782 1095091946 /nfs/dbraw/zinc/09/19/46/1095091946.db2.gz PRFBFJRUIJMIKB-RXVVDRJESA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCc2ccc(C)cc2)CC1 ZINC001167815055 1095102437 /nfs/dbraw/zinc/10/24/37/1095102437.db2.gz NCXFIJUUUZLPQD-UHFFFAOYSA-N 1 3 345.531 2.755 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC001481193831 1095234063 /nfs/dbraw/zinc/23/40/63/1095234063.db2.gz KDBHEBNCAIXTQN-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC001481193831 1095234084 /nfs/dbraw/zinc/23/40/84/1095234084.db2.gz KDBHEBNCAIXTQN-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CCC(C)C)[C@@H]2C1(C)C ZINC001087316196 1095298205 /nfs/dbraw/zinc/29/82/05/1095298205.db2.gz OVUMEOCQRYUUDA-LZQZEXGQSA-N 1 3 346.519 2.912 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC(C)C)[C@@H]2C1(C)C ZINC001087316196 1095298213 /nfs/dbraw/zinc/29/82/13/1095298213.db2.gz OVUMEOCQRYUUDA-LZQZEXGQSA-N 1 3 346.519 2.912 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCc2cccs2)CC1 ZINC001167836484 1095336878 /nfs/dbraw/zinc/33/68/78/1095336878.db2.gz WZPIPTSZTZOZRN-UHFFFAOYSA-N 1 3 337.533 2.509 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104754001 1095686052 /nfs/dbraw/zinc/68/60/52/1095686052.db2.gz YRPMYJNWRYXACK-KURKYZTESA-N 1 3 341.515 2.683 20 0 EFADHO CCN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1cc(C)sc1C ZINC001481001228 1095730429 /nfs/dbraw/zinc/73/04/29/1095730429.db2.gz POLDKCSKCWTZRO-CQSZACIVSA-N 1 3 337.533 2.645 20 0 EFADHO CCN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1cc(C)sc1C ZINC001481001228 1095730436 /nfs/dbraw/zinc/73/04/36/1095730436.db2.gz POLDKCSKCWTZRO-CQSZACIVSA-N 1 3 337.533 2.645 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[N@H+](CCC3CC3)CC2)C1 ZINC000981957701 1095792976 /nfs/dbraw/zinc/79/29/76/1095792976.db2.gz RILRDILJUQSDIN-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC000981957701 1095792993 /nfs/dbraw/zinc/79/29/93/1095792993.db2.gz RILRDILJUQSDIN-IBGZPJMESA-N 1 3 339.499 2.533 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C(C)C)CC1)Cc1cccc(F)c1 ZINC001481009833 1095795138 /nfs/dbraw/zinc/79/51/38/1095795138.db2.gz NXMWWXCZPGAGOQ-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000981957747 1095795093 /nfs/dbraw/zinc/79/50/93/1095795093.db2.gz SAZZVJBUOLHMMW-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CCCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000981957747 1095795109 /nfs/dbraw/zinc/79/51/09/1095795109.db2.gz SAZZVJBUOLHMMW-OALUTQOASA-N 1 3 343.515 2.932 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960443 1095822572 /nfs/dbraw/zinc/82/25/72/1095822572.db2.gz VXWSGSJHSWNXDH-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cccc(C)c1CN1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960443 1095822591 /nfs/dbraw/zinc/82/25/91/1095822591.db2.gz VXWSGSJHSWNXDH-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001481629464 1095993023 /nfs/dbraw/zinc/99/30/23/1095993023.db2.gz JAYPRHHMBRUQER-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO NCc1nn(-c2ccc([C@@]34CC[NH2+][C@@H]3COCC4)cc2)c2ccccc12 ZINC001167698106 1095998241 /nfs/dbraw/zinc/99/82/41/1095998241.db2.gz UFZJREMWEKFTPO-RTWAWAEBSA-N 1 3 348.450 2.504 20 0 EFADHO CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001481752943 1096538796 /nfs/dbraw/zinc/53/87/96/1096538796.db2.gz LVIBZWAHRFFAGB-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC2CC2)C1 ZINC001211730280 1096608053 /nfs/dbraw/zinc/60/80/53/1096608053.db2.gz SUTKENPGIBNDGN-VQTJNVASSA-N 1 3 343.515 2.711 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001481820510 1096745347 /nfs/dbraw/zinc/74/53/47/1096745347.db2.gz NTVPMUREQVLGAL-KUHUBIRLSA-N 1 3 347.478 2.782 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1 ZINC001104809350 1098636247 /nfs/dbraw/zinc/63/62/47/1098636247.db2.gz GAYRGZVXPLXBAZ-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001104809740 1098636728 /nfs/dbraw/zinc/63/67/28/1098636728.db2.gz QIOMUBVZJWDFFF-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001104811586 1098654350 /nfs/dbraw/zinc/65/43/50/1098654350.db2.gz BGQMBUFFSZMPQX-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832756 1098713244 /nfs/dbraw/zinc/71/32/44/1098713244.db2.gz RSAREIUBIYCCQO-KZNAEPCWSA-N 1 3 341.515 2.541 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccc(C)c2)C1 ZINC001104936101 1099083404 /nfs/dbraw/zinc/08/34/04/1099083404.db2.gz DFDKVKOWODJIFY-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001104938048 1099091333 /nfs/dbraw/zinc/09/13/33/1099091333.db2.gz NPGGOCLTLAZLMN-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(CC)CC)C1 ZINC001104938026 1099091915 /nfs/dbraw/zinc/09/19/15/1099091915.db2.gz NARGDVAMKQPVFI-SJLPKXTDSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001104939440 1099096126 /nfs/dbraw/zinc/09/61/26/1099096126.db2.gz PXPSMBPNKLYZCX-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524503 1099237490 /nfs/dbraw/zinc/23/74/90/1099237490.db2.gz RUMLZGDCQZEXAS-NSHGMRRFSA-N 1 3 337.552 2.837 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683965 1099276659 /nfs/dbraw/zinc/27/66/59/1099276659.db2.gz QVTLOJJNRKUXNH-MSOLQXFVSA-N 1 3 337.508 2.994 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683965 1099276666 /nfs/dbraw/zinc/27/66/66/1099276666.db2.gz QVTLOJJNRKUXNH-MSOLQXFVSA-N 1 3 337.508 2.994 20 0 EFADHO CCN(CC)C(=O)[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981635 1099410006 /nfs/dbraw/zinc/41/00/06/1099410006.db2.gz CJZSOHDQVIIIJO-WRURNZQNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981635 1099410010 /nfs/dbraw/zinc/41/00/10/1099410010.db2.gz CJZSOHDQVIIIJO-WRURNZQNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981635 1099410016 /nfs/dbraw/zinc/41/00/16/1099410016.db2.gz CJZSOHDQVIIIJO-WRURNZQNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981635 1099410021 /nfs/dbraw/zinc/41/00/21/1099410021.db2.gz CJZSOHDQVIIIJO-WRURNZQNSA-N 1 3 347.547 2.972 20 0 EFADHO C[NH+]1CCN(c2ccc(CNCc3ccccc3Cl)cn2)CC1 ZINC000030660599 1099478061 /nfs/dbraw/zinc/47/80/61/1099478061.db2.gz HGRCMISTWZBQTB-UHFFFAOYSA-N 1 3 330.863 2.777 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC[NH2+]CCCF ZINC001105058756 1099504977 /nfs/dbraw/zinc/50/49/77/1099504977.db2.gz WSGWIVUUZIRWIY-VQIMIIECSA-N 1 3 349.494 2.796 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105067112 1099541418 /nfs/dbraw/zinc/54/14/18/1099541418.db2.gz NCRKJYGCBJFKMN-QZTJIDSGSA-N 1 3 325.541 2.981 20 0 EFADHO C(O[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)[C@@H]2COC[C@H]12)C1CC1 ZINC001167991596 1099739397 /nfs/dbraw/zinc/73/93/97/1099739397.db2.gz DOXNPSDYWLWFAK-MEZHHFKCSA-N 1 3 346.515 2.518 20 0 EFADHO C(O[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)[C@@H]2COC[C@H]12)C1CC1 ZINC001167991596 1099739403 /nfs/dbraw/zinc/73/94/03/1099739403.db2.gz DOXNPSDYWLWFAK-MEZHHFKCSA-N 1 3 346.515 2.518 20 0 EFADHO C(O[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)[C@@H]2COC[C@H]12)C1CC1 ZINC001167991596 1099739406 /nfs/dbraw/zinc/73/94/06/1099739406.db2.gz DOXNPSDYWLWFAK-MEZHHFKCSA-N 1 3 346.515 2.518 20 0 EFADHO C(O[C@@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)[C@@H]2COC[C@H]12)C1CC1 ZINC001167991596 1099739410 /nfs/dbraw/zinc/73/94/10/1099739410.db2.gz DOXNPSDYWLWFAK-MEZHHFKCSA-N 1 3 346.515 2.518 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2cccnc21 ZINC001482355875 1099795888 /nfs/dbraw/zinc/79/58/88/1099795888.db2.gz JBJQQZFZUOEMHZ-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001075785250 1099856828 /nfs/dbraw/zinc/85/68/28/1099856828.db2.gz WSAPGKMPNXWAFL-SLFFLAALSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001075785250 1099856835 /nfs/dbraw/zinc/85/68/35/1099856835.db2.gz WSAPGKMPNXWAFL-SLFFLAALSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001075785250 1099856849 /nfs/dbraw/zinc/85/68/49/1099856849.db2.gz WSAPGKMPNXWAFL-SLFFLAALSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001075785250 1099856864 /nfs/dbraw/zinc/85/68/64/1099856864.db2.gz WSAPGKMPNXWAFL-SLFFLAALSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680229 1099867387 /nfs/dbraw/zinc/86/73/87/1099867387.db2.gz MGTUDDNBTNOXQV-RBUKOAKNSA-N 1 3 340.471 2.583 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001203437441 1099931240 /nfs/dbraw/zinc/93/12/40/1099931240.db2.gz LKCXLRLWXICJAG-UHFFFAOYSA-N 1 3 343.471 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001481455653 1099935876 /nfs/dbraw/zinc/93/58/76/1099935876.db2.gz AGLBWKLYMRGKJQ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001481455653 1099935885 /nfs/dbraw/zinc/93/58/85/1099935885.db2.gz AGLBWKLYMRGKJQ-KRWDZBQOSA-N 1 3 332.492 2.669 20 0 EFADHO CCN1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)C1=O ZINC001168002094 1099954959 /nfs/dbraw/zinc/95/49/59/1099954959.db2.gz DTEPFHLMZNKTSA-DFNIBXOVSA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CCC2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)C1=O ZINC001168002094 1099954968 /nfs/dbraw/zinc/95/49/68/1099954968.db2.gz DTEPFHLMZNKTSA-DFNIBXOVSA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CCC2(CC[NH+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)CC2)C1=O ZINC001168002094 1099954973 /nfs/dbraw/zinc/95/49/73/1099954973.db2.gz DTEPFHLMZNKTSA-DFNIBXOVSA-N 1 3 345.531 2.726 20 0 EFADHO CN(CC(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21)CC(C)(C)C ZINC001481278954 1099971971 /nfs/dbraw/zinc/97/19/71/1099971971.db2.gz CSVMEGFGUPZRRZ-SFHVURJKSA-N 1 3 349.494 2.839 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNCc2ccc(C(N)=O)cc2)cc1 ZINC000042911414 1100129758 /nfs/dbraw/zinc/12/97/58/1100129758.db2.gz XFFGHTYLISMUDO-UHFFFAOYSA-N 1 3 325.456 2.917 20 0 EFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCCN1Cc1ccccc1)CC2 ZINC001270902419 1100191496 /nfs/dbraw/zinc/19/14/96/1100191496.db2.gz DPIYPJQNXWHXOS-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO COC(=O)[C@H]1C[C@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168014063 1100414201 /nfs/dbraw/zinc/41/42/01/1100414201.db2.gz JKHXXAINJCKRNF-FXRXJOCMSA-N 1 3 330.472 2.969 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1Cc1ccsc1 ZINC001087574746 1100545889 /nfs/dbraw/zinc/54/58/89/1100545889.db2.gz VMPLRGGOUGGPFC-OKZBNKHCSA-N 1 3 347.528 2.559 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395642 1100557057 /nfs/dbraw/zinc/55/70/57/1100557057.db2.gz BXVOPRSBYLRGPN-HXUWFJFHSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395642 1100557059 /nfs/dbraw/zinc/55/70/59/1100557059.db2.gz BXVOPRSBYLRGPN-HXUWFJFHSA-N 1 3 347.547 2.830 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@@H+](C(C)C)CC23CCC3)CC1 ZINC001105396594 1100593776 /nfs/dbraw/zinc/59/37/76/1100593776.db2.gz QAQMVMAPSREZMC-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2[N@H+](C(C)C)CC23CCC3)CC1 ZINC001105396594 1100593781 /nfs/dbraw/zinc/59/37/81/1100593781.db2.gz QAQMVMAPSREZMC-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(=O)N1CC[C@H](NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168018299 1100595782 /nfs/dbraw/zinc/59/57/82/1100595782.db2.gz CPRDGXONUXJPBF-BXWFABGCSA-N 1 3 329.488 2.638 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168018302 1100596573 /nfs/dbraw/zinc/59/65/73/1100596573.db2.gz CPRDGXONUXJPBF-JSJNYSNDSA-N 1 3 329.488 2.638 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168018302 1100596575 /nfs/dbraw/zinc/59/65/75/1100596575.db2.gz CPRDGXONUXJPBF-JSJNYSNDSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1 ZINC001087797136 1100780952 /nfs/dbraw/zinc/78/09/52/1100780952.db2.gz ZJTNRZRYCQSDHQ-NZSAHSFTSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1 ZINC001087797136 1100780955 /nfs/dbraw/zinc/78/09/55/1100780955.db2.gz ZJTNRZRYCQSDHQ-NZSAHSFTSA-N 1 3 347.478 2.637 20 0 EFADHO CC(=O)N1CC[C@@H](NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168024231 1100812386 /nfs/dbraw/zinc/81/23/86/1100812386.db2.gz CPRDGXONUXJPBF-GPMSIDNRSA-N 1 3 329.488 2.638 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087828805 1100831621 /nfs/dbraw/zinc/83/16/21/1100831621.db2.gz VZDGQHWYUPSFKP-YTQUADARSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1C ZINC001087828805 1100831629 /nfs/dbraw/zinc/83/16/29/1100831629.db2.gz VZDGQHWYUPSFKP-YTQUADARSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087828555 1100832187 /nfs/dbraw/zinc/83/21/87/1100832187.db2.gz ONTUHTKERFODKF-ZYSHUDEJSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1Cc1cc(F)ccc1C ZINC001087828555 1100832192 /nfs/dbraw/zinc/83/21/92/1100832192.db2.gz ONTUHTKERFODKF-ZYSHUDEJSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482470927 1100855887 /nfs/dbraw/zinc/85/58/87/1100855887.db2.gz IDLZBMBDLFCYJH-UONOGXRCSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1nc(=N)n(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1CN ZINC001168034313 1100993541 /nfs/dbraw/zinc/99/35/41/1100993541.db2.gz PFEDHFBCRYLUDQ-HUUCEWRRSA-N 1 3 339.487 2.744 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CC1 ZINC001087993545 1101166613 /nfs/dbraw/zinc/16/66/13/1101166613.db2.gz SCUOVPYPAZPRKI-SQNIBIBYSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1)C1CC1 ZINC001087993545 1101166621 /nfs/dbraw/zinc/16/66/21/1101166621.db2.gz SCUOVPYPAZPRKI-SQNIBIBYSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993198 1101166878 /nfs/dbraw/zinc/16/68/78/1101166878.db2.gz DWSOWWVVKOHNDH-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993198 1101166887 /nfs/dbraw/zinc/16/68/87/1101166887.db2.gz DWSOWWVVKOHNDH-AABGKKOBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CC[C@@H]3C2)CCC1 ZINC001087992947 1101167424 /nfs/dbraw/zinc/16/74/24/1101167424.db2.gz SVPUMFYRNLOFCV-SJORKVTESA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccsc4)CC[C@@H]3C2)CCC1 ZINC001087992947 1101167427 /nfs/dbraw/zinc/16/74/27/1101167427.db2.gz SVPUMFYRNLOFCV-SJORKVTESA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088002780 1101179477 /nfs/dbraw/zinc/17/94/77/1101179477.db2.gz SVHFUBZQXKVYNV-QYZOEREBSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088002780 1101179480 /nfs/dbraw/zinc/17/94/80/1101179480.db2.gz SVHFUBZQXKVYNV-QYZOEREBSA-N 1 3 349.563 2.789 20 0 EFADHO CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)[C@H](C)N3CCCC3)C2)C1 ZINC001271212711 1101286352 /nfs/dbraw/zinc/28/63/52/1101286352.db2.gz XCSDSPPRCYKRFI-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](C(=O)N1CCC2(CC[N@@H+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213761 1101289541 /nfs/dbraw/zinc/28/95/41/1101289541.db2.gz GDHBTPKIDPEUOB-QGZVFWFLSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H](C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1)N1CCCC1 ZINC001271213761 1101289545 /nfs/dbraw/zinc/28/95/45/1101289545.db2.gz GDHBTPKIDPEUOB-QGZVFWFLSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480864713 1101361605 /nfs/dbraw/zinc/36/16/05/1101361605.db2.gz VEXAAAGKUZGIDM-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001075344724 1101369971 /nfs/dbraw/zinc/36/99/71/1101369971.db2.gz RPIOZYVTBNBSAF-ICSRJNTNSA-N 1 3 349.563 2.983 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCC3)[C@H](C)C2)CC1 ZINC001075344726 1101370663 /nfs/dbraw/zinc/37/06/63/1101370663.db2.gz RPIOZYVTBNBSAF-UYAOXDASSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385378 1101389833 /nfs/dbraw/zinc/38/98/33/1101389833.db2.gz ALGCYJREWJXSPC-IRXDYDNUSA-N 1 3 341.515 2.874 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608335 1101400666 /nfs/dbraw/zinc/40/06/66/1101400666.db2.gz HFRYLVYLURPNGI-RTWAWAEBSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)C1 ZINC001208608335 1101400669 /nfs/dbraw/zinc/40/06/69/1101400669.db2.gz HFRYLVYLURPNGI-RTWAWAEBSA-N 1 3 327.516 2.926 20 0 EFADHO C[NH+](C)CCN1CCN(CCCCCOCc2ccccc2)CC1 ZINC001208803505 1101498275 /nfs/dbraw/zinc/49/82/75/1101498275.db2.gz GETVFRBETRUHAW-UHFFFAOYSA-N 1 3 333.520 2.553 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000067671722 1101553190 /nfs/dbraw/zinc/55/31/90/1101553190.db2.gz HQHYJLXHGPSILW-AWEZNQCLSA-N 1 3 340.309 2.565 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1 ZINC001088106245 1101555139 /nfs/dbraw/zinc/55/51/39/1101555139.db2.gz RVJMIEMSWNRUJR-QRQLOZEOSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1 ZINC001088106245 1101555151 /nfs/dbraw/zinc/55/51/51/1101555151.db2.gz RVJMIEMSWNRUJR-QRQLOZEOSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088106350 1101555224 /nfs/dbraw/zinc/55/52/24/1101555224.db2.gz WRGDNXCPQFWHBN-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001088106350 1101555231 /nfs/dbraw/zinc/55/52/31/1101555231.db2.gz WRGDNXCPQFWHBN-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001211278109 1101629730 /nfs/dbraw/zinc/62/97/30/1101629730.db2.gz PSFIBISOEQBPIB-KRWDZBQOSA-N 1 3 337.533 2.602 20 0 EFADHO CCOc1ccc(C[NH2+]C[C@H](C)N2CCN(CC)CC2)cc1OCC ZINC000069059340 1101674447 /nfs/dbraw/zinc/67/44/47/1101674447.db2.gz LYVBRJPWCBOZFA-KRWDZBQOSA-N 1 3 349.519 2.600 20 0 EFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc(C)c1F ZINC001143383709 1101742434 /nfs/dbraw/zinc/74/24/34/1101742434.db2.gz CEJADCGIFRZRHB-UHFFFAOYSA-N 1 3 333.495 2.902 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210397 1101879409 /nfs/dbraw/zinc/87/94/09/1101879409.db2.gz JSPHENZAZZDYNL-UXHICEINSA-N 1 3 343.515 2.798 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC001088210397 1101879424 /nfs/dbraw/zinc/87/94/24/1101879424.db2.gz JSPHENZAZZDYNL-UXHICEINSA-N 1 3 343.515 2.798 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001088212613 1101890037 /nfs/dbraw/zinc/89/00/37/1101890037.db2.gz CMBJYOFXZMCMGW-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001088212613 1101890056 /nfs/dbraw/zinc/89/00/56/1101890056.db2.gz CMBJYOFXZMCMGW-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCc2cccc(Cl)c2F)C1 ZINC001209446560 1101904449 /nfs/dbraw/zinc/90/44/49/1101904449.db2.gz SSLRAXDPPBNTOF-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO CC(C)[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001075366246 1101971940 /nfs/dbraw/zinc/97/19/40/1101971940.db2.gz BDLCJLHYKPYVEM-IAGOWNOFSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1C[NH2+]CC1CC1 ZINC001075366287 1101972783 /nfs/dbraw/zinc/97/27/83/1101972783.db2.gz BQFGSEYOKMZIIT-SJLPKXTDSA-N 1 3 343.515 2.846 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001104348868 1101996609 /nfs/dbraw/zinc/99/66/09/1101996609.db2.gz YRVKRCQTHVZGIX-DJIMGWMZSA-N 1 3 337.533 2.663 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001271521505 1102059843 /nfs/dbraw/zinc/05/98/43/1102059843.db2.gz WHHBOFXNXGKZGF-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001271521505 1102059853 /nfs/dbraw/zinc/05/98/53/1102059853.db2.gz WHHBOFXNXGKZGF-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001271521507 1102061166 /nfs/dbraw/zinc/06/11/66/1102061166.db2.gz WHHBOFXNXGKZGF-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1CCC[N@@H+](C)C1)C2 ZINC001271521507 1102061182 /nfs/dbraw/zinc/06/11/82/1102061182.db2.gz WHHBOFXNXGKZGF-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CCCCC1 ZINC001115574831 1102072209 /nfs/dbraw/zinc/07/22/09/1102072209.db2.gz SIMXGWJHVIWUTQ-HNNXBMFYSA-N 1 3 327.488 2.628 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(CCNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001167223842 1102077843 /nfs/dbraw/zinc/07/78/43/1102077843.db2.gz BGVQOCITCAVQLR-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001167224902 1102081266 /nfs/dbraw/zinc/08/12/66/1102081266.db2.gz MNOJTFFBPYPOEV-KRWDZBQOSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@H]1CC([N@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168065991 1102084620 /nfs/dbraw/zinc/08/46/20/1102084620.db2.gz ZUZBWVYJMOHGRU-QGZVKYPTSA-N 1 3 327.516 2.921 20 0 EFADHO C[C@H]1CC([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168065991 1102084634 /nfs/dbraw/zinc/08/46/34/1102084634.db2.gz ZUZBWVYJMOHGRU-QGZVKYPTSA-N 1 3 327.516 2.921 20 0 EFADHO CC(C)C[NH2+]CC1(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001167232897 1102099969 /nfs/dbraw/zinc/09/99/69/1102099969.db2.gz TXRQLOKIGQAHPZ-LJQANCHMSA-N 1 3 341.515 2.731 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240149 1102122538 /nfs/dbraw/zinc/12/25/38/1102122538.db2.gz CRZHNIRKITZGIF-OAHLLOKOSA-N 1 3 329.504 2.589 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2csc(C)c2)CC1)N(C)C ZINC001167260622 1102184731 /nfs/dbraw/zinc/18/47/31/1102184731.db2.gz ARYYDKGHMCNWAH-INIZCTEOSA-N 1 3 337.533 2.773 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001167260818 1102185123 /nfs/dbraw/zinc/18/51/23/1102185123.db2.gz LGVBHXDPMWXAEJ-SFHVURJKSA-N 1 3 349.494 2.850 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1)N(C)C ZINC001167260778 1102185270 /nfs/dbraw/zinc/18/52/70/1102185270.db2.gz JNTWZIUHPJZKIO-KRWDZBQOSA-N 1 3 335.536 2.783 20 0 EFADHO CCc1ccc(C[NH2+]CC2(CCNC(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC001167260915 1102185724 /nfs/dbraw/zinc/18/57/24/1102185724.db2.gz PXKCSHVCCYMENB-IBGZPJMESA-N 1 3 345.531 2.965 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001206954217 1102241137 /nfs/dbraw/zinc/24/11/37/1102241137.db2.gz AANMVHPCAXVXMM-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C12CCC2)CC(C)(C)C ZINC001203425554 1102287440 /nfs/dbraw/zinc/28/74/40/1102287440.db2.gz CPMQLZXWLYHYKN-IRXDYDNUSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2csc(C)c2)CC1 ZINC001167480639 1102298340 /nfs/dbraw/zinc/29/83/40/1102298340.db2.gz OJKUQTDLVMTTRW-UHFFFAOYSA-N 1 3 337.533 2.774 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001167481050 1102310916 /nfs/dbraw/zinc/31/09/16/1102310916.db2.gz YJPRBIQNRNLYLH-LJQANCHMSA-N 1 3 343.515 2.892 20 0 EFADHO CC1CCN(CC(=O)N2CCC(CC[N@H+](C)CCCF)CC2)CC1 ZINC001482507054 1102434552 /nfs/dbraw/zinc/43/45/52/1102434552.db2.gz HFOKWCMHTMEWFI-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CC1CCN(CC(=O)N2CCC(CC[N@@H+](C)CCCF)CC2)CC1 ZINC001482507054 1102434556 /nfs/dbraw/zinc/43/45/56/1102434556.db2.gz HFOKWCMHTMEWFI-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1CC[NH2+]Cc1ccsc1 ZINC001104287618 1102588167 /nfs/dbraw/zinc/58/81/67/1102588167.db2.gz IMZLEYXCRUUZMN-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]CCC(C)(C)C ZINC001104294193 1102874798 /nfs/dbraw/zinc/87/47/98/1102874798.db2.gz BSJPBPPHGSYCLI-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104294243 1102876583 /nfs/dbraw/zinc/87/65/83/1102876583.db2.gz FCMKRXGPUSSIDP-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)C1CC1 ZINC001088327531 1102932433 /nfs/dbraw/zinc/93/24/33/1102932433.db2.gz PDWLABRHFSRXAW-PMACEKPBSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccsc2)C1)C1CC1 ZINC001088327301 1102933285 /nfs/dbraw/zinc/93/32/85/1102933285.db2.gz JXRHLPIAMZAJHH-ROUUACIJSA-N 1 3 349.544 2.949 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088352711 1103120687 /nfs/dbraw/zinc/12/06/87/1103120687.db2.gz HQZIHPBKWAJQFW-GOSISDBHSA-N 1 3 349.494 2.735 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088352712 1103121390 /nfs/dbraw/zinc/12/13/90/1103121390.db2.gz HQZIHPBKWAJQFW-SFHVURJKSA-N 1 3 349.494 2.735 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271940540 1103128197 /nfs/dbraw/zinc/12/81/97/1103128197.db2.gz JWHTUNFHKJCUCJ-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260571 1103176090 /nfs/dbraw/zinc/17/60/90/1103176090.db2.gz LAYQWTKNKXVYEU-AWEZNQCLSA-N 1 3 337.895 2.585 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccnc2)C1)N(C)C ZINC001088376008 1103242009 /nfs/dbraw/zinc/24/20/09/1103242009.db2.gz WAUZYXYTORHWMV-RTBURBONSA-N 1 3 346.519 2.529 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381359 1103332828 /nfs/dbraw/zinc/33/28/28/1103332828.db2.gz CLIYEQKCUZPOIM-APWZRJJASA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCCC[C@H]([NH2+]CCF)C2)C1 ZINC001088382046 1103337695 /nfs/dbraw/zinc/33/76/95/1103337695.db2.gz SRKMPAROCQAAHL-YJBOKZPZSA-N 1 3 345.478 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001088384051 1103351623 /nfs/dbraw/zinc/35/16/23/1103351623.db2.gz UXJMKEYQAFCVGZ-MOPGFXCFSA-N 1 3 331.504 2.888 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001088390896 1103379269 /nfs/dbraw/zinc/37/92/69/1103379269.db2.gz YBQYQGXQXQJJPJ-QGZVFWFLSA-N 1 3 344.503 2.893 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1C1CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483377971 1103533657 /nfs/dbraw/zinc/53/36/57/1103533657.db2.gz LXYNGNAZQXVNGM-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](CN(C)C/C=C/c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483394041 1103590331 /nfs/dbraw/zinc/59/03/31/1103590331.db2.gz VPSABEWCYKMKPM-RUJXFNLJSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2cccnc21 ZINC001483407704 1103629921 /nfs/dbraw/zinc/62/99/21/1103629921.db2.gz FDOQISKODNRSNU-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc2cccnc21 ZINC001483407704 1103629923 /nfs/dbraw/zinc/62/99/23/1103629923.db2.gz FDOQISKODNRSNU-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001483484138 1103800167 /nfs/dbraw/zinc/80/01/67/1103800167.db2.gz JKZIBKCMXVNKLK-LJQANCHMSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001483565575 1103960579 /nfs/dbraw/zinc/96/05/79/1103960579.db2.gz FXFIZODMVCIZQE-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ncccc1C)N(C)C ZINC001663119412 1103993805 /nfs/dbraw/zinc/99/38/05/1103993805.db2.gz HRNGGSKCQXISQJ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ncccc1C)N(C)C ZINC001663119412 1103993813 /nfs/dbraw/zinc/99/38/13/1103993813.db2.gz HRNGGSKCQXISQJ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO c1csc(CN2C[C@@H]3C[NH+](C4CCN(CC5CC5)CC4)C[C@H]3C2)c1 ZINC001168377311 1104102498 /nfs/dbraw/zinc/10/24/98/1104102498.db2.gz BYNOOGXJWKSOEJ-QZTJIDSGSA-N 1 3 345.556 2.986 20 0 EFADHO FC(F)(F)c1nn(C2CC[NH+](CC3CC3)CC2)c2c1CNCC2 ZINC001168387850 1104175230 /nfs/dbraw/zinc/17/52/30/1104175230.db2.gz WAYVFOLLMUATEP-UHFFFAOYSA-N 1 3 328.382 2.595 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001105447744 1104214399 /nfs/dbraw/zinc/21/43/99/1104214399.db2.gz NZZKRMVUEDKZEA-PUZFROQSSA-N 1 3 331.504 2.543 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C(C)(C)C[NH2+]CC2CC2)CC1 ZINC001101551473 1104234065 /nfs/dbraw/zinc/23/40/65/1104234065.db2.gz MQCPRVBYERENHT-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCN(CC3CCOCC3)CC1)C2 ZINC001168252607 1104599560 /nfs/dbraw/zinc/59/95/60/1104599560.db2.gz RUCDNZSNQMJCAW-FQEVSTJZSA-N 1 3 344.499 2.643 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482628725 1104687586 /nfs/dbraw/zinc/68/75/86/1104687586.db2.gz WYHCLFQAUDLLCO-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482628725 1104687590 /nfs/dbraw/zinc/68/75/90/1104687590.db2.gz WYHCLFQAUDLLCO-HZPDHXFCSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482628721 1104687999 /nfs/dbraw/zinc/68/79/99/1104687999.db2.gz WYHCLFQAUDLLCO-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482628721 1104688003 /nfs/dbraw/zinc/68/80/03/1104688003.db2.gz WYHCLFQAUDLLCO-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1Cc1ccc(CF)cc1 ZINC001088577814 1104772173 /nfs/dbraw/zinc/77/21/73/1104772173.db2.gz QKTAUDUPGUPRQD-RGCFKVTRSA-N 1 3 347.478 2.575 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1ccc(CF)cc1 ZINC001088577814 1104772178 /nfs/dbraw/zinc/77/21/78/1104772178.db2.gz QKTAUDUPGUPRQD-RGCFKVTRSA-N 1 3 347.478 2.575 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)c(C)s1 ZINC001088577573 1104772657 /nfs/dbraw/zinc/77/26/57/1104772657.db2.gz BJWFZJGNRSFWMB-DTDBQYNISA-N 1 3 349.544 2.784 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)c(C)s1 ZINC001088577573 1104772659 /nfs/dbraw/zinc/77/26/59/1104772659.db2.gz BJWFZJGNRSFWMB-DTDBQYNISA-N 1 3 349.544 2.784 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cc1C ZINC001088578266 1104774095 /nfs/dbraw/zinc/77/40/95/1104774095.db2.gz PQYKGXXQPWLJBH-LFGUQSLTSA-N 1 3 343.515 2.723 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)cc1C ZINC001088578266 1104774101 /nfs/dbraw/zinc/77/41/01/1104774101.db2.gz PQYKGXXQPWLJBH-LFGUQSLTSA-N 1 3 343.515 2.723 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)[C@@H]1C ZINC001088605094 1104851080 /nfs/dbraw/zinc/85/10/80/1104851080.db2.gz GVNAHZNPRSFNNS-BPQIPLTHSA-N 1 3 349.544 2.744 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)[C@@H]1C ZINC001088605094 1104851087 /nfs/dbraw/zinc/85/10/87/1104851087.db2.gz GVNAHZNPRSFNNS-BPQIPLTHSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001482890616 1105149095 /nfs/dbraw/zinc/14/90/95/1105149095.db2.gz MLYHXBWUROZMQM-PXAZEXFGSA-N 1 3 344.434 2.572 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001030019289 1105212317 /nfs/dbraw/zinc/21/23/17/1105212317.db2.gz HKZANTRSLOZFNO-SXLOBPIMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)CN1CC[C@H](C)C1 ZINC001482950510 1105247452 /nfs/dbraw/zinc/24/74/52/1105247452.db2.gz UPJFOLHJLQFYJT-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988962993 1105398259 /nfs/dbraw/zinc/39/82/59/1105398259.db2.gz UGOOFSUHOPFDKV-WMZOPIPTSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988956350 1105400418 /nfs/dbraw/zinc/40/04/18/1105400418.db2.gz PWEUQPIUJBZTEC-FUHWJXTLSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000988956326 1105400521 /nfs/dbraw/zinc/40/05/21/1105400521.db2.gz PTCHEEIORVJZHD-DYVFJYSZSA-N 1 3 349.544 2.928 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988957199 1105401594 /nfs/dbraw/zinc/40/15/94/1105401594.db2.gz DQRJLBHCUGJJNX-QAPCUYQASA-N 1 3 347.478 2.719 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000988964686 1105408145 /nfs/dbraw/zinc/40/81/45/1105408145.db2.gz DKDGBGCSEBLPQN-MJGOQNOKSA-N 1 3 343.515 2.867 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1)N(C)C ZINC001030019469 1105505524 /nfs/dbraw/zinc/50/55/24/1105505524.db2.gz KFJOHBIVUWDSPL-ZIFCJYIRSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC001030019521 1105569115 /nfs/dbraw/zinc/56/91/15/1105569115.db2.gz IPEQFSMTGCGSIF-OWCLPIDISA-N 1 3 345.478 2.733 20 0 EFADHO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000925304734 1105641893 /nfs/dbraw/zinc/64/18/93/1105641893.db2.gz XSZPDWOFMXGQBV-KUHUBIRLSA-N 1 3 335.467 2.854 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000897570537 1105757599 /nfs/dbraw/zinc/75/75/99/1105757599.db2.gz VVFSOLIDMWGYIG-MJGOQNOKSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C1(C[NH2+]CCCF)CCC1)N(C)C ZINC001105544489 1105907822 /nfs/dbraw/zinc/90/78/22/1105907822.db2.gz LHFHVFBMNLZFTB-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)[NH2+]CC1([C@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563048 1105942659 /nfs/dbraw/zinc/94/26/59/1105942659.db2.gz BNKAOSSANCKFBP-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C2(C[NH2+]CC3CC3)CCC2)C1 ZINC001105563439 1105943235 /nfs/dbraw/zinc/94/32/35/1105943235.db2.gz NLQDSWRIHMBVSO-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)CCC1 ZINC001105563667 1105943337 /nfs/dbraw/zinc/94/33/37/1105943337.db2.gz QQWRPHUMGQAART-ROUUACIJSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105574573 1105961116 /nfs/dbraw/zinc/96/11/16/1105961116.db2.gz BHHXQMLSSPKKFT-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000897661288 1106040624 /nfs/dbraw/zinc/04/06/24/1106040624.db2.gz WGFOLKNZJHVUEN-LJQANCHMSA-N 1 3 347.503 2.679 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCN(CCCc3ccsc3)CC2)C1 ZINC000989480338 1106356715 /nfs/dbraw/zinc/35/67/15/1106356715.db2.gz FOFAWXZDHIGULZ-GOSISDBHSA-N 1 3 349.544 2.557 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCCN(CCCc3ccsc3)CC2)C1 ZINC000989480338 1106356721 /nfs/dbraw/zinc/35/67/21/1106356721.db2.gz FOFAWXZDHIGULZ-GOSISDBHSA-N 1 3 349.544 2.557 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492768 1106367276 /nfs/dbraw/zinc/36/72/76/1106367276.db2.gz OWLWISJKKDEWQZ-MAUKXSAKSA-N 1 3 332.492 2.892 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605112 1106480704 /nfs/dbraw/zinc/48/07/04/1106480704.db2.gz ILIQDQZOQQMFCM-IRXDYDNUSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605111 1106480949 /nfs/dbraw/zinc/48/09/49/1106480949.db2.gz ILIQDQZOQQMFCM-IAGOWNOFSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605810 1106481508 /nfs/dbraw/zinc/48/15/08/1106481508.db2.gz MNHMQXUYDHXPSE-MJGOQNOKSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606801 1106481824 /nfs/dbraw/zinc/48/18/24/1106481824.db2.gz VDGSHRONWWKWCQ-HKUYNNGSSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606636 1106482092 /nfs/dbraw/zinc/48/20/92/1106482092.db2.gz SVVNQQCSNXFMRR-UYAOXDASSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000989607033 1106482818 /nfs/dbraw/zinc/48/28/18/1106482818.db2.gz YRMGBYSLEVZMJY-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000989607065 1106482990 /nfs/dbraw/zinc/48/29/90/1106482990.db2.gz ZHNQMWKHHLWDTH-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241623 1106491408 /nfs/dbraw/zinc/49/14/08/1106491408.db2.gz QDHWCIPRZJSYBW-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241623 1106491410 /nfs/dbraw/zinc/49/14/10/1106491410.db2.gz QDHWCIPRZJSYBW-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682231 1106543070 /nfs/dbraw/zinc/54/30/70/1106543070.db2.gz HWKIUEMMKYXELD-HOCLYGCPSA-N 1 3 347.890 2.515 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@H+](CCC3CC3)CC2)c1 ZINC000989730386 1106594467 /nfs/dbraw/zinc/59/44/67/1106594467.db2.gz UQHZYRCKSFIVSS-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)c1 ZINC000989730386 1106594470 /nfs/dbraw/zinc/59/44/70/1106594470.db2.gz UQHZYRCKSFIVSS-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000989728516 1106601227 /nfs/dbraw/zinc/60/12/27/1106601227.db2.gz MOSZXHVHSNDPHT-HDICACEKSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000989728516 1106601230 /nfs/dbraw/zinc/60/12/30/1106601230.db2.gz MOSZXHVHSNDPHT-HDICACEKSA-N 1 3 333.520 2.894 20 0 EFADHO CC(C)CC[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737278 1106614143 /nfs/dbraw/zinc/61/41/43/1106614143.db2.gz MMDCQBBEKMMZFN-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)CC[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737278 1106614146 /nfs/dbraw/zinc/61/41/46/1106614146.db2.gz MMDCQBBEKMMZFN-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[NH+](C)C1CCC(N2CCN(c3noc4ccccc43)CC2)CC1 ZINC001168315937 1106637348 /nfs/dbraw/zinc/63/73/48/1106637348.db2.gz RQGMCTHVLOQDGV-UHFFFAOYSA-N 1 3 328.460 2.823 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)CN1C(=O)CN1CCCC1 ZINC000989796189 1106666467 /nfs/dbraw/zinc/66/64/67/1106666467.db2.gz INQUQJJLSIICJM-STQMWFEESA-N 1 3 341.908 2.576 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989799122 1106670040 /nfs/dbraw/zinc/67/00/40/1106670040.db2.gz JUZHNEYSFMSCHR-MJGOQNOKSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989825593 1106698681 /nfs/dbraw/zinc/69/86/81/1106698681.db2.gz HVKNNWAIRZRRPS-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989827175 1106701001 /nfs/dbraw/zinc/70/10/01/1106701001.db2.gz ZRKNDWNNBVEWMR-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2)CCN1C1CCC([NH+](C)C)CC1 ZINC001168329773 1106984129 /nfs/dbraw/zinc/98/41/29/1106984129.db2.gz HKBPIEZGJRDQOB-IPJUCJBFSA-N 1 3 329.488 2.706 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001088980792 1107195736 /nfs/dbraw/zinc/19/57/36/1107195736.db2.gz RUOMJJYRAYDTHD-XCFPSZERSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1C/C=C\c1ccccc1 ZINC001088980792 1107195744 /nfs/dbraw/zinc/19/57/44/1107195744.db2.gz RUOMJJYRAYDTHD-XCFPSZERSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001088980789 1107196135 /nfs/dbraw/zinc/19/61/35/1107196135.db2.gz RUOMJJYRAYDTHD-ADPRYCOGSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001088980789 1107196142 /nfs/dbraw/zinc/19/61/42/1107196142.db2.gz RUOMJJYRAYDTHD-ADPRYCOGSA-N 1 3 341.499 2.621 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001168344535 1107374235 /nfs/dbraw/zinc/37/42/35/1107374235.db2.gz DOYSBBNHJYLATH-KRWDZBQOSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058630 1107375651 /nfs/dbraw/zinc/37/56/51/1107375651.db2.gz AHWWFTSXNDLONP-MDZRGWNJSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058630 1107375663 /nfs/dbraw/zinc/37/56/63/1107375663.db2.gz AHWWFTSXNDLONP-MDZRGWNJSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058669 1107375709 /nfs/dbraw/zinc/37/57/09/1107375709.db2.gz CNRCHNJLAVYODU-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058669 1107375723 /nfs/dbraw/zinc/37/57/23/1107375723.db2.gz CNRCHNJLAVYODU-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC=C(Cl)Cl)CC1 ZINC001168345275 1107381686 /nfs/dbraw/zinc/38/16/86/1107381686.db2.gz NAZUGBBJYPGNNJ-UHFFFAOYSA-N 1 3 336.307 2.522 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3CN(C)C)[C@H]2C)C1 ZINC001089060754 1107384017 /nfs/dbraw/zinc/38/40/17/1107384017.db2.gz FGRXUQGWRGAZHR-FCULAJGNSA-N 1 3 343.515 2.987 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)c3ccccc3CN(C)C)[C@H]2C)C1 ZINC001089060754 1107384031 /nfs/dbraw/zinc/38/40/31/1107384031.db2.gz FGRXUQGWRGAZHR-FCULAJGNSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCC1CCCC1 ZINC001088702180 1107388655 /nfs/dbraw/zinc/38/86/55/1107388655.db2.gz HLQVLGSXSAXAAG-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCC1CCCC1 ZINC001088702180 1107388669 /nfs/dbraw/zinc/38/86/69/1107388669.db2.gz HLQVLGSXSAXAAG-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CCCC1CCC1 ZINC001088702756 1107420165 /nfs/dbraw/zinc/42/01/65/1107420165.db2.gz HPHZIUSVKYJZPM-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CCCC1CCC1 ZINC001088702756 1107420171 /nfs/dbraw/zinc/42/01/71/1107420171.db2.gz HPHZIUSVKYJZPM-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000990243321 1107552374 /nfs/dbraw/zinc/55/23/74/1107552374.db2.gz DFEQKAKIWBYENY-KBXCAEBGSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990244985 1107554230 /nfs/dbraw/zinc/55/42/30/1107554230.db2.gz SQEIPFXCCVCDLQ-KDOFPFPSSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168351125 1107569647 /nfs/dbraw/zinc/56/96/47/1107569647.db2.gz GERKAMINNRKCCE-WMLDXEAASA-N 1 3 337.508 2.706 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC001168351126 1107569829 /nfs/dbraw/zinc/56/98/29/1107569829.db2.gz GERKAMINNRKCCE-YOEHRIQHSA-N 1 3 337.508 2.706 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000990276832 1107588186 /nfs/dbraw/zinc/58/81/86/1107588186.db2.gz JZCSSLFNGVVHQN-GOSISDBHSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000990276993 1107591221 /nfs/dbraw/zinc/59/12/21/1107591221.db2.gz MHSHPCRQCBMFPP-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001089137292 1107601525 /nfs/dbraw/zinc/60/15/25/1107601525.db2.gz XMCKCAPOZJONPY-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001089137292 1107601533 /nfs/dbraw/zinc/60/15/33/1107601533.db2.gz XMCKCAPOZJONPY-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO COc1ccc(CN2CCCN(C[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000904302285 1107793055 /nfs/dbraw/zinc/79/30/55/1107793055.db2.gz UJEIGWLBXSJZGX-HXUWFJFHSA-N 1 3 331.504 2.593 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904389689 1107876164 /nfs/dbraw/zinc/87/61/64/1107876164.db2.gz QTGOVGLZVCUBQC-OXJNMPFZSA-N 1 3 345.487 2.735 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904389691 1107878021 /nfs/dbraw/zinc/87/80/21/1107878021.db2.gz QTGOVGLZVCUBQC-UZLBHIALSA-N 1 3 345.487 2.735 20 0 EFADHO Cc1nn(C)c2ncc(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)cc12 ZINC000904412051 1107913807 /nfs/dbraw/zinc/91/38/07/1107913807.db2.gz OVRBHYFQQOOOEL-QGZVFWFLSA-N 1 3 341.503 2.878 20 0 EFADHO Cc1cc(C)n2c(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)cnc2n1 ZINC000904416943 1107918777 /nfs/dbraw/zinc/91/87/77/1107918777.db2.gz ULXHDERVZOFTSQ-KRWDZBQOSA-N 1 3 341.503 2.948 20 0 EFADHO Cc1cc(C)n2c(CN3CCC([C@@H]4CCC[NH2+]CC4)CC3)cnc2n1 ZINC000904416944 1107918949 /nfs/dbraw/zinc/91/89/49/1107918949.db2.gz ULXHDERVZOFTSQ-QGZVFWFLSA-N 1 3 341.503 2.948 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001483693878 1107940864 /nfs/dbraw/zinc/94/08/64/1107940864.db2.gz QKEPXHPFFVWUDN-QZTJIDSGSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@H](C)c1ccccc1C ZINC001483693878 1107940876 /nfs/dbraw/zinc/94/08/76/1107940876.db2.gz QKEPXHPFFVWUDN-QZTJIDSGSA-N 1 3 331.504 2.978 20 0 EFADHO NC1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000904445645 1107944786 /nfs/dbraw/zinc/94/47/86/1107944786.db2.gz ZFWUXWYSHZNFHZ-UHFFFAOYSA-N 1 3 339.155 2.929 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccco1 ZINC000904637090 1108074962 /nfs/dbraw/zinc/07/49/62/1108074962.db2.gz IAEHPBCFMCPUAI-XJKSGUPXSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001089226320 1108081705 /nfs/dbraw/zinc/08/17/05/1108081705.db2.gz FBLXFKZDIOYZGT-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001089226320 1108081718 /nfs/dbraw/zinc/08/17/18/1108081718.db2.gz FBLXFKZDIOYZGT-ICSRJNTNSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1ccc([C@H](CNC(=O)Nc2ccccc2C[NH3+])N(C)C)cc1 ZINC000904658989 1108099153 /nfs/dbraw/zinc/09/91/53/1108099153.db2.gz NRXGVFFOXCHXNZ-SFHVURJKSA-N 1 3 326.444 2.878 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000904659984 1108100148 /nfs/dbraw/zinc/10/01/48/1108100148.db2.gz RKZNVEODQZWSNY-UHFFFAOYSA-N 1 3 330.476 2.875 20 0 EFADHO CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391978 1108139686 /nfs/dbraw/zinc/13/96/86/1108139686.db2.gz RXTJXQBFXYFGTI-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001040391978 1108139693 /nfs/dbraw/zinc/13/96/93/1108139693.db2.gz RXTJXQBFXYFGTI-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[N@H+](C)CC2CCC2)CC1 ZINC001089246202 1108178938 /nfs/dbraw/zinc/17/89/38/1108178938.db2.gz XHCSSNLRCFSTDW-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCCC[C@H]2C[N@@H+](C)CC2CCC2)CC1 ZINC001089246202 1108178948 /nfs/dbraw/zinc/17/89/48/1108178948.db2.gz XHCSSNLRCFSTDW-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(F)c1 ZINC001272399183 1108184792 /nfs/dbraw/zinc/18/47/92/1108184792.db2.gz YNEYCLHUVYXUHU-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC(C)C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272413811 1108225329 /nfs/dbraw/zinc/22/53/29/1108225329.db2.gz YYTYQYYRLAZCML-UHFFFAOYSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(F)(F)F)C2)N(C)C ZINC001040261411 1108340796 /nfs/dbraw/zinc/34/07/96/1108340796.db2.gz OFRDRIPQYCPSBV-GDBMZVCRSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(F)(F)F)C2)N(C)C ZINC001040261411 1108340808 /nfs/dbraw/zinc/34/08/08/1108340808.db2.gz OFRDRIPQYCPSBV-GDBMZVCRSA-N 1 3 349.441 2.594 20 0 EFADHO CCCC[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272467761 1108417274 /nfs/dbraw/zinc/41/72/74/1108417274.db2.gz VYPCTPFZTUOEDY-UHFFFAOYSA-N 1 3 329.488 2.729 20 0 EFADHO CN(C)CCN1C(=O)C2(CC[NH+](CC3CC3)CC2)[C@@H]1c1ccccc1 ZINC001272484379 1108470712 /nfs/dbraw/zinc/47/07/12/1108470712.db2.gz SMKZKCBNUJGKFV-IBGZPJMESA-N 1 3 341.499 2.624 20 0 EFADHO C[C@H](F)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106133324 1108527665 /nfs/dbraw/zinc/52/76/65/1108527665.db2.gz JEKOOVVVZBTOSM-IXDOHACOSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@](O)(CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254734 1108545203 /nfs/dbraw/zinc/54/52/03/1108545203.db2.gz OSXWKOHKVCRJTJ-CRAIPNDOSA-N 1 3 326.431 2.893 20 0 EFADHO C[C@@](O)(CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254734 1108545209 /nfs/dbraw/zinc/54/52/09/1108545209.db2.gz OSXWKOHKVCRJTJ-CRAIPNDOSA-N 1 3 326.431 2.893 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134310 1108561940 /nfs/dbraw/zinc/56/19/40/1108561940.db2.gz ZUERMUTXRLPCAE-ZACQAIPSSA-N 1 3 341.515 2.683 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](CCCC(F)(F)F)CC2)C1=O ZINC001272507424 1108581462 /nfs/dbraw/zinc/58/14/62/1108581462.db2.gz YTXGOBSKMIZXEQ-INIZCTEOSA-N 1 3 349.441 2.595 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](CCCC(F)(F)F)CC2)C1=O ZINC001272507424 1108581469 /nfs/dbraw/zinc/58/14/69/1108581469.db2.gz YTXGOBSKMIZXEQ-INIZCTEOSA-N 1 3 349.441 2.595 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001101036164 1108594770 /nfs/dbraw/zinc/59/47/70/1108594770.db2.gz JGQUAJAKMWFZCS-UHFFFAOYSA-N 1 3 337.895 2.665 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001088769151 1108728538 /nfs/dbraw/zinc/72/85/38/1108728538.db2.gz UERRUQYDZFAGRR-MNEFBYGVSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001088769151 1108728545 /nfs/dbraw/zinc/72/85/45/1108728545.db2.gz UERRUQYDZFAGRR-MNEFBYGVSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CCCC1 ZINC001075333954 1108768721 /nfs/dbraw/zinc/76/87/21/1108768721.db2.gz ZTHGDDMQMCQCJH-MJGOQNOKSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cs1 ZINC001075334981 1108778756 /nfs/dbraw/zinc/77/87/56/1108778756.db2.gz HKMSTRUJHIQIQR-BBRMVZONSA-N 1 3 346.500 2.597 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)cc1 ZINC001075336260 1108784159 /nfs/dbraw/zinc/78/41/59/1108784159.db2.gz ZYGPYKRGXKAKDG-WMZOPIPTSA-N 1 3 340.471 2.535 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CCc1ccccc1 ZINC001088792030 1108855621 /nfs/dbraw/zinc/85/56/21/1108855621.db2.gz QWLWKFHFZZNHQO-MJGOQNOKSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CCc1ccccc1 ZINC001088792030 1108855623 /nfs/dbraw/zinc/85/56/23/1108855623.db2.gz QWLWKFHFZZNHQO-MJGOQNOKSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001030021693 1108893500 /nfs/dbraw/zinc/89/35/00/1108893500.db2.gz MTCLOHXRTTYQSS-UHOSZYNNSA-N 1 3 347.478 2.734 20 0 EFADHO CCC1([NH+]2CCC2)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000899556601 1109388554 /nfs/dbraw/zinc/38/85/54/1109388554.db2.gz FFAWVLLZULNASV-IBGZPJMESA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC001168366351 1109617870 /nfs/dbraw/zinc/61/78/70/1109617870.db2.gz PCZDHEFOYBLQKA-RCCFBDPRSA-N 1 3 349.519 2.991 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086173 1109627932 /nfs/dbraw/zinc/62/79/32/1109627932.db2.gz RZWDUGBIDZPOBK-OTWHNJEPSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001076086173 1109627934 /nfs/dbraw/zinc/62/79/34/1109627934.db2.gz RZWDUGBIDZPOBK-OTWHNJEPSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324085 1109767264 /nfs/dbraw/zinc/76/72/64/1109767264.db2.gz MZAZKLDOJKHUSO-CEXWTWQISA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)(C)OC(=O)NCC1(NC2CC[NH+](CC3CC3)CC2)CCC1 ZINC001168366706 1109827248 /nfs/dbraw/zinc/82/72/48/1109827248.db2.gz YTVJSNFMHHCSGV-UHFFFAOYSA-N 1 3 337.508 2.898 20 0 EFADHO Cc1cccc(OC[C@H](O)C[NH2+]C2CCN(CCC(C)C)CC2)c1 ZINC000924780292 1109919043 /nfs/dbraw/zinc/91/90/43/1109919043.db2.gz VNJIJKTWIBSROT-LJQANCHMSA-N 1 3 334.504 2.835 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCc2c1cccc2F)NC(=O)CN(C)CC(C)(C)C ZINC001483166176 1109920734 /nfs/dbraw/zinc/92/07/34/1109920734.db2.gz CDYOIKUGCRNWKP-KDOFPFPSSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001483166848 1109923319 /nfs/dbraw/zinc/92/33/19/1109923319.db2.gz AYHPFBQZURPZIL-CJNGLKHVSA-N 1 3 325.884 2.583 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001106255766 1111233228 /nfs/dbraw/zinc/23/32/28/1111233228.db2.gz HVXPIZZAIZEBCZ-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203505741 1111412594 /nfs/dbraw/zinc/41/25/94/1111412594.db2.gz FLXRXNUURLMIOI-SJORKVTESA-N 1 3 341.515 2.875 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001106340243 1111433015 /nfs/dbraw/zinc/43/30/15/1111433015.db2.gz PVBYRRSCLBVMIL-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO COc1cccc([C@H](C)[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127326808 1111447213 /nfs/dbraw/zinc/44/72/13/1111447213.db2.gz BPKCWAWWRNRVNO-INIZCTEOSA-N 1 3 347.503 2.727 20 0 EFADHO CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225219 1111516239 /nfs/dbraw/zinc/51/62/39/1111516239.db2.gz PBRFSWHLBJDRRN-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225219 1111516240 /nfs/dbraw/zinc/51/62/40/1111516240.db2.gz PBRFSWHLBJDRRN-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338970 1111524531 /nfs/dbraw/zinc/52/45/31/1111524531.db2.gz NCSHUHFDAZFTDU-MRXNPFEDSA-N 1 3 335.517 2.609 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338970 1111524538 /nfs/dbraw/zinc/52/45/38/1111524538.db2.gz NCSHUHFDAZFTDU-MRXNPFEDSA-N 1 3 335.517 2.609 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cs1 ZINC001127357445 1111650132 /nfs/dbraw/zinc/65/01/32/1111650132.db2.gz XZKGFOYXCCLROM-KRWDZBQOSA-N 1 3 349.544 2.917 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC001127357445 1111650134 /nfs/dbraw/zinc/65/01/34/1111650134.db2.gz XZKGFOYXCCLROM-KRWDZBQOSA-N 1 3 349.544 2.917 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001106664953 1111707588 /nfs/dbraw/zinc/70/75/88/1111707588.db2.gz DBHHPZIAYOVKQH-FGTMMUONSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C2)C1 ZINC001106666245 1111709269 /nfs/dbraw/zinc/70/92/69/1111709269.db2.gz HVPSRZGUXPVONQ-RCCFBDPRSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC3CCC3)[C@H](C)C2)C1 ZINC001106666690 1111709364 /nfs/dbraw/zinc/70/93/64/1111709364.db2.gz QSIZAHKDJSMNIA-ZHALLVOQSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001106674439 1111713016 /nfs/dbraw/zinc/71/30/16/1111713016.db2.gz VIARSQQIXCRGGZ-RLLQIKCJSA-N 1 3 345.531 2.562 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106705120 1111737950 /nfs/dbraw/zinc/73/79/50/1111737950.db2.gz RYYKJTISYZBYSX-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001272613720 1111744271 /nfs/dbraw/zinc/74/42/71/1111744271.db2.gz MUFAYRWSTACOQC-KURKYZTESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106729088 1111769685 /nfs/dbraw/zinc/76/96/85/1111769685.db2.gz HTRDAQFYSYUGPI-INDDXITRSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106729089 1111770064 /nfs/dbraw/zinc/77/00/64/1111770064.db2.gz HTRDAQFYSYUGPI-IXRRTHQVSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106729467 1111771485 /nfs/dbraw/zinc/77/14/85/1111771485.db2.gz SCDMOSOLXTZDHV-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccccc1C[N@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272636153 1111784893 /nfs/dbraw/zinc/78/48/93/1111784893.db2.gz AJDHDRIZQQWYFK-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCCC[C@]12CC(=O)N(CCN(C)C)C2 ZINC001272636153 1111784897 /nfs/dbraw/zinc/78/48/97/1111784897.db2.gz AJDHDRIZQQWYFK-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001106779477 1111823459 /nfs/dbraw/zinc/82/34/59/1111823459.db2.gz OQGZFQPKRHGTQV-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC001106785027 1111831485 /nfs/dbraw/zinc/83/14/85/1111831485.db2.gz SUFBXBNFAZGFJZ-ZIFCJYIRSA-N 1 3 331.504 2.774 20 0 EFADHO Cc1cc(F)ccc1CN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001272667507 1112165960 /nfs/dbraw/zinc/16/59/60/1112165960.db2.gz SPAMZUKROGAATI-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487714 1112222927 /nfs/dbraw/zinc/22/29/27/1112222927.db2.gz MXGADJGSXVARGN-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC(C)(C)C2)C1 ZINC001089487714 1112222929 /nfs/dbraw/zinc/22/29/29/1112222929.db2.gz MXGADJGSXVARGN-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491025 1112225514 /nfs/dbraw/zinc/22/55/14/1112225514.db2.gz IODYJXNPQNUAPO-MSOLQXFVSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491025 1112225517 /nfs/dbraw/zinc/22/55/17/1112225517.db2.gz IODYJXNPQNUAPO-MSOLQXFVSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491849 1112227899 /nfs/dbraw/zinc/22/78/99/1112227899.db2.gz WOCSCUXLYGSQEA-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491849 1112227900 /nfs/dbraw/zinc/22/79/00/1112227900.db2.gz WOCSCUXLYGSQEA-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491765 1112228070 /nfs/dbraw/zinc/22/80/70/1112228070.db2.gz UUBMKHVAADWZEM-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491765 1112228074 /nfs/dbraw/zinc/22/80/74/1112228074.db2.gz UUBMKHVAADWZEM-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089510639 1112254858 /nfs/dbraw/zinc/25/48/58/1112254858.db2.gz ZGYUHFLKMUGTAH-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089510637 1112254933 /nfs/dbraw/zinc/25/49/33/1112254933.db2.gz ZGYUHFLKMUGTAH-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCN(CCF)CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001089510638 1112255086 /nfs/dbraw/zinc/25/50/86/1112255086.db2.gz ZGYUHFLKMUGTAH-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089647828 1112443128 /nfs/dbraw/zinc/44/31/28/1112443128.db2.gz BBMFSPRGMYLPAV-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089647828 1112443132 /nfs/dbraw/zinc/44/31/32/1112443132.db2.gz BBMFSPRGMYLPAV-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089647823 1112443288 /nfs/dbraw/zinc/44/32/88/1112443288.db2.gz BBMFSPRGMYLPAV-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089647823 1112443289 /nfs/dbraw/zinc/44/32/89/1112443289.db2.gz BBMFSPRGMYLPAV-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCc1ccccc1)N(C)C ZINC001483944972 1112585472 /nfs/dbraw/zinc/58/54/72/1112585472.db2.gz KTDJNPDARQGZIJ-OALUTQOASA-N 1 3 331.504 2.540 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(C)CCN(Cc2cccc(F)c2)CC1 ZINC001484145091 1112822535 /nfs/dbraw/zinc/82/25/35/1112822535.db2.gz PQWQWPHUDUTWKG-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(C)CCN(Cc2cccc(F)c2)CC1 ZINC001484145091 1112822540 /nfs/dbraw/zinc/82/25/40/1112822540.db2.gz PQWQWPHUDUTWKG-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001106908022 1112867934 /nfs/dbraw/zinc/86/79/34/1112867934.db2.gz MESUVTLDCDNSHK-JFIYKMOQSA-N 1 3 349.494 2.913 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001484546491 1112999326 /nfs/dbraw/zinc/99/93/26/1112999326.db2.gz HYPFIRCPSWJIFC-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)(C(=O)NCC1([NH2+]C/C=C/Cl)CCC1)N1CCCCC1 ZINC001484634390 1113073490 /nfs/dbraw/zinc/07/34/90/1113073490.db2.gz LECNUSXTQTWWAJ-JXMROGBWSA-N 1 3 327.900 2.632 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2cccc(F)c2)CCC1 ZINC001484663207 1113103453 /nfs/dbraw/zinc/10/34/53/1113103453.db2.gz LGNOUXBWXCEUJU-UHFFFAOYSA-N 1 3 347.478 2.830 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089819594 1117817704 /nfs/dbraw/zinc/81/77/04/1117817704.db2.gz HPILSSRAEXSMLG-LEAZDLGRSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CN(C)C2CCC2)C1 ZINC001089819594 1117817711 /nfs/dbraw/zinc/81/77/11/1117817711.db2.gz HPILSSRAEXSMLG-LEAZDLGRSA-N 1 3 347.547 2.686 20 0 EFADHO C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001485056100 1117974643 /nfs/dbraw/zinc/97/46/43/1117974643.db2.gz PCJRYHBGEMXHJC-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001485056100 1117974645 /nfs/dbraw/zinc/97/46/45/1117974645.db2.gz PCJRYHBGEMXHJC-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNC2c3ccccc3-c3ccccc32)CC[N@@H+]1C ZINC001127639222 1118001739 /nfs/dbraw/zinc/00/17/39/1118001739.db2.gz WGKNSDFPNUPAIL-HZPDHXFCSA-N 1 3 349.478 2.802 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCNC2c3ccccc3-c3ccccc32)CC[N@H+]1C ZINC001127639222 1118001745 /nfs/dbraw/zinc/00/17/45/1118001745.db2.gz WGKNSDFPNUPAIL-HZPDHXFCSA-N 1 3 349.478 2.802 20 0 EFADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1F ZINC001485324458 1118255292 /nfs/dbraw/zinc/25/52/92/1118255292.db2.gz GPRMUIYMBOUOAZ-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)[C@H]1CCc2c1cccc2F ZINC001485344570 1118265675 /nfs/dbraw/zinc/26/56/75/1118265675.db2.gz IQYVRSAWOYJXRU-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1ccc(Cl)cc1 ZINC001485346032 1118267466 /nfs/dbraw/zinc/26/74/66/1118267466.db2.gz PWCXIABIGCYEOO-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CC1CCCCC1 ZINC001485349547 1118271615 /nfs/dbraw/zinc/27/16/15/1118271615.db2.gz HLGXZAUWAMGFHY-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CC1CCCCC1 ZINC001485349547 1118271618 /nfs/dbraw/zinc/27/16/18/1118271618.db2.gz HLGXZAUWAMGFHY-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CC1CCCCC1 ZINC001485349548 1118271726 /nfs/dbraw/zinc/27/17/26/1118271726.db2.gz HLGXZAUWAMGFHY-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CC1CCCCC1 ZINC001485349548 1118271729 /nfs/dbraw/zinc/27/17/29/1118271729.db2.gz HLGXZAUWAMGFHY-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CCCc1ccc(C)cc1 ZINC001485376920 1118302627 /nfs/dbraw/zinc/30/26/27/1118302627.db2.gz DZLQKQCPACIDIX-MRXNPFEDSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CCCc1ccc(C)cc1 ZINC001485376920 1118302631 /nfs/dbraw/zinc/30/26/31/1118302631.db2.gz DZLQKQCPACIDIX-MRXNPFEDSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@H+](C)CCCc1ccc(C)cc1 ZINC001485376919 1118302766 /nfs/dbraw/zinc/30/27/66/1118302766.db2.gz DZLQKQCPACIDIX-INIZCTEOSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[N@@H+](C)CCCc1ccc(C)cc1 ZINC001485376919 1118302771 /nfs/dbraw/zinc/30/27/71/1118302771.db2.gz DZLQKQCPACIDIX-INIZCTEOSA-N 1 3 342.487 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000995187887 1118756138 /nfs/dbraw/zinc/75/61/38/1118756138.db2.gz UOVOFLYPYQIZGW-DOTOQJQBSA-N 1 3 344.503 2.715 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2cccs2)C1 ZINC001032027508 1118950968 /nfs/dbraw/zinc/95/09/68/1118950968.db2.gz UCWNEBNUYVQMMF-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(CCc2cccs2)C1 ZINC001032027508 1118950971 /nfs/dbraw/zinc/95/09/71/1118950971.db2.gz UCWNEBNUYVQMMF-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CN(CCc2cccs2)C1 ZINC001032027508 1118950975 /nfs/dbraw/zinc/95/09/75/1118950975.db2.gz UCWNEBNUYVQMMF-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555171 1118965261 /nfs/dbraw/zinc/96/52/61/1118965261.db2.gz FSNNAQYTPUXFFZ-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555171 1118965263 /nfs/dbraw/zinc/96/52/63/1118965263.db2.gz FSNNAQYTPUXFFZ-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555174 1118965354 /nfs/dbraw/zinc/96/53/54/1118965354.db2.gz FSNNAQYTPUXFFZ-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555174 1118965356 /nfs/dbraw/zinc/96/53/56/1118965356.db2.gz FSNNAQYTPUXFFZ-PKOBYXMFSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555173 1118965430 /nfs/dbraw/zinc/96/54/30/1118965430.db2.gz FSNNAQYTPUXFFZ-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942555173 1118965434 /nfs/dbraw/zinc/96/54/34/1118965434.db2.gz FSNNAQYTPUXFFZ-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042456 1119069718 /nfs/dbraw/zinc/06/97/18/1119069718.db2.gz ALDPSPNYXSRDMO-RTBURBONSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001032042456 1119069721 /nfs/dbraw/zinc/06/97/21/1119069721.db2.gz ALDPSPNYXSRDMO-RTBURBONSA-N 1 3 331.504 2.552 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)c1 ZINC001032043252 1119078477 /nfs/dbraw/zinc/07/84/77/1119078477.db2.gz YBBPUYYVLQRBGQ-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)c1 ZINC001032043252 1119078479 /nfs/dbraw/zinc/07/84/79/1119078479.db2.gz YBBPUYYVLQRBGQ-PMACEKPBSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128327 1119824722 /nfs/dbraw/zinc/82/47/22/1119824722.db2.gz AAGMUUDJIYUFQM-AZUAARDMSA-N 1 3 343.515 2.663 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001032129246 1119839792 /nfs/dbraw/zinc/83/97/92/1119839792.db2.gz ULUNTHONHDKVTH-RTBURBONSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001107042601 1120067748 /nfs/dbraw/zinc/06/77/48/1120067748.db2.gz UKOQTXBLAJJICT-JFIYKMOQSA-N 1 3 349.494 2.911 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001032206078 1120200377 /nfs/dbraw/zinc/20/03/77/1120200377.db2.gz RGXRXWBOQUSWMF-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945094622 1120571140 /nfs/dbraw/zinc/57/11/40/1120571140.db2.gz WYMWVNRGNSHMQF-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945094622 1120571142 /nfs/dbraw/zinc/57/11/42/1120571142.db2.gz WYMWVNRGNSHMQF-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945094626 1120571793 /nfs/dbraw/zinc/57/17/93/1120571793.db2.gz WYMWVNRGNSHMQF-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC000945094626 1120571796 /nfs/dbraw/zinc/57/17/96/1120571796.db2.gz WYMWVNRGNSHMQF-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000367293774 282111837 /nfs/dbraw/zinc/11/18/37/282111837.db2.gz FBQWDPLRHRBZJI-IPMKNSEASA-N 1 3 347.503 2.707 20 0 EFADHO CN(CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)Cc1ccccc1 ZINC000054763409 214254438 /nfs/dbraw/zinc/25/44/38/214254438.db2.gz NSJZNPIXZFVEJL-UHFFFAOYSA-N 1 3 346.519 2.727 20 0 EFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)N(C)CC[NH3+])cc1 ZINC000416967109 282145787 /nfs/dbraw/zinc/14/57/87/282145787.db2.gz WPAZISCHHAFFMC-UHFFFAOYSA-N 1 3 340.471 2.515 20 0 EFADHO Cc1ccc([C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173956596 231080506 /nfs/dbraw/zinc/08/05/06/231080506.db2.gz APAINZAVEKGISP-FQEVSTJZSA-N 1 3 332.488 2.605 20 0 EFADHO C[NH+](C)[C@@H](CC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000416152618 282168792 /nfs/dbraw/zinc/16/87/92/282168792.db2.gz XYRNPBLDCAWDTL-OALUTQOASA-N 1 3 329.488 2.766 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN1C)[NH+]1CCCC1 ZINC000422139732 282274572 /nfs/dbraw/zinc/27/45/72/282274572.db2.gz BWVZQNKNIQZFOB-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CN1c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2CCC1=O ZINC000187133496 529832407 /nfs/dbraw/zinc/83/24/07/529832407.db2.gz KOFGUQQAECHYTD-UHFFFAOYSA-N 1 3 327.472 2.560 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449991934 283060545 /nfs/dbraw/zinc/06/05/45/283060545.db2.gz WKLLCPYSCMYAPQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449991934 283060546 /nfs/dbraw/zinc/06/05/46/283060546.db2.gz WKLLCPYSCMYAPQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+]1CC[C@@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535042 283106552 /nfs/dbraw/zinc/10/65/52/283106552.db2.gz MJTJSGZMSCDSHI-RTBURBONSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535042 283106554 /nfs/dbraw/zinc/10/65/54/283106554.db2.gz MJTJSGZMSCDSHI-RTBURBONSA-N 1 3 337.508 2.661 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000344543922 283220124 /nfs/dbraw/zinc/22/01/24/283220124.db2.gz VOLHGKMHUMYBAK-IRXDYDNUSA-N 1 3 326.529 2.623 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000369048294 291140756 /nfs/dbraw/zinc/14/07/56/291140756.db2.gz ODPIDODMKBDMRU-HKJQZYRSSA-N 1 3 341.499 2.545 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)C1 ZINC000361051904 283352562 /nfs/dbraw/zinc/35/25/62/283352562.db2.gz LLQCAXWBORCVML-XLIONFOSSA-N 1 3 329.488 2.801 20 0 EFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000414207169 299283404 /nfs/dbraw/zinc/28/34/04/299283404.db2.gz ZFCRRSBXNYIHOG-MOPGFXCFSA-N 1 3 345.531 2.565 20 0 EFADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000431801928 296009433 /nfs/dbraw/zinc/00/94/33/296009433.db2.gz QNAHAQXJLUGCBP-IBGZPJMESA-N 1 3 333.520 2.870 20 0 EFADHO CC[C@@]1(C(=O)N(C)C2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000184161063 201037944 /nfs/dbraw/zinc/03/79/44/201037944.db2.gz DNHSDOIBGLMFIM-FQEVSTJZSA-N 1 3 329.488 2.642 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000236676613 201148099 /nfs/dbraw/zinc/14/80/99/201148099.db2.gz RHYDZYPNYLRYMB-SFHVURJKSA-N 1 3 331.504 2.922 20 0 EFADHO C[C@@H](CCNC(=O)[C@H](N)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237561922 201148710 /nfs/dbraw/zinc/14/87/10/201148710.db2.gz NGNQUPILNJRHNB-FXAWDEMLSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@@H](CCNC(=O)[C@H](N)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237561922 201148714 /nfs/dbraw/zinc/14/87/14/201148714.db2.gz NGNQUPILNJRHNB-FXAWDEMLSA-N 1 3 339.483 2.583 20 0 EFADHO NC1(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000237914935 201151232 /nfs/dbraw/zinc/15/12/32/201151232.db2.gz HIDQQADFVGHEJG-UHFFFAOYSA-N 1 3 337.467 2.686 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1Cc1ccccc1 ZINC000246554259 201178524 /nfs/dbraw/zinc/17/85/24/201178524.db2.gz UBXQJTSHBGSHBM-QFMLELGNSA-N 1 3 341.499 2.686 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C ZINC000252504365 201183690 /nfs/dbraw/zinc/18/36/90/201183690.db2.gz AIYAOFCIKJBMMU-GDBMZVCRSA-N 1 3 347.459 2.549 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C ZINC000252504365 201183691 /nfs/dbraw/zinc/18/36/91/201183691.db2.gz AIYAOFCIKJBMMU-GDBMZVCRSA-N 1 3 347.459 2.549 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000252486981 201183751 /nfs/dbraw/zinc/18/37/51/201183751.db2.gz QOXZSOFJCWJHBI-PXCRPINLSA-N 1 3 340.467 2.987 20 0 EFADHO Cc1ncsc1CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069924308 201166723 /nfs/dbraw/zinc/16/67/23/201166723.db2.gz RUWAXMIZKAWWHX-GJZGRUSLSA-N 1 3 337.533 2.815 20 0 EFADHO Cc1ncsc1CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069924299 201167443 /nfs/dbraw/zinc/16/74/43/201167443.db2.gz RUWAXMIZKAWWHX-GASCZTMLSA-N 1 3 337.533 2.815 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000261987042 201201189 /nfs/dbraw/zinc/20/11/89/201201189.db2.gz XMAMFVJRCFFKAK-BHIYHBOVSA-N 1 3 341.499 2.545 20 0 EFADHO NC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000262647733 201206380 /nfs/dbraw/zinc/20/63/80/201206380.db2.gz AIWGXFCFJDEYTP-UHFFFAOYSA-N 1 3 329.488 2.676 20 0 EFADHO CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261548910 201192956 /nfs/dbraw/zinc/19/29/56/201192956.db2.gz JYJYPWWOGBRNRO-ZWKOTPCHSA-N 1 3 329.488 2.627 20 0 EFADHO [NH3+]CC1(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000261537297 201193156 /nfs/dbraw/zinc/19/31/56/201193156.db2.gz JDNANBUFPNYHJL-GOSISDBHSA-N 1 3 329.488 2.676 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000261552141 201193656 /nfs/dbraw/zinc/19/36/56/201193656.db2.gz VDLSJCKWVQVJTL-NXEWRWPSSA-N 1 3 341.499 2.688 20 0 EFADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000261667385 201195380 /nfs/dbraw/zinc/19/53/80/201195380.db2.gz LGGKZPQYTTVPQP-VQIMIIECSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H](N)c1ccccc1 ZINC000261667376 201195634 /nfs/dbraw/zinc/19/56/34/201195634.db2.gz LGGKZPQYTTVPQP-APWZRJJASA-N 1 3 329.488 2.799 20 0 EFADHO COc1ccc(Br)cc1CNCC1=CC[N@H+](C)CC1 ZINC000271898007 201247558 /nfs/dbraw/zinc/24/75/58/201247558.db2.gz PUFKPMFUYQQCTK-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO COc1ccc(Br)cc1CNCC1=CC[N@@H+](C)CC1 ZINC000271898007 201247560 /nfs/dbraw/zinc/24/75/60/201247560.db2.gz PUFKPMFUYQQCTK-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO C[C@](O)(C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000272534444 201252933 /nfs/dbraw/zinc/25/29/33/201252933.db2.gz JOVSIQFYNJKAPZ-NXOAAHMSSA-N 1 3 342.405 2.800 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000272759057 201258404 /nfs/dbraw/zinc/25/84/04/201258404.db2.gz PUYKXXLEGPZWGV-NVXWUHKLSA-N 1 3 341.455 2.802 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000164522430 239114273 /nfs/dbraw/zinc/11/42/73/239114273.db2.gz OPLCEPOFFOUJIM-ROUUACIJSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164839528 239117964 /nfs/dbraw/zinc/11/79/64/239117964.db2.gz XRGDYMBKCUIXFH-ZWOKBUDYSA-N 1 3 343.515 2.923 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283488427 201330508 /nfs/dbraw/zinc/33/05/08/201330508.db2.gz XURKXUKUNUDFGI-OAHLLOKOSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000132055997 223295806 /nfs/dbraw/zinc/29/58/06/223295806.db2.gz AXMPAYLDFLIJHS-PXNSSMCTSA-N 1 3 342.483 2.881 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)CC1 ZINC000096295346 201375500 /nfs/dbraw/zinc/37/55/00/201375500.db2.gz TUXISPBWQKZWIV-PLNGDYQASA-N 1 3 329.488 2.653 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000156050002 201399625 /nfs/dbraw/zinc/39/96/25/201399625.db2.gz DHEZMSPCCYMEJV-VQIMIIECSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)CN1Cc1ccccc1 ZINC000156049892 201399699 /nfs/dbraw/zinc/39/96/99/201399699.db2.gz DHEZMSPCCYMEJV-LPHOPBHVSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000357300960 296058570 /nfs/dbraw/zinc/05/85/70/296058570.db2.gz HFZMXZUFCBTGHP-VQIMIIECSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](CC(=O)N[C@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000193406530 240151970 /nfs/dbraw/zinc/15/19/70/240151970.db2.gz BQTUDHORZUXVIN-FOIQADDNSA-N 1 3 339.483 2.982 20 0 EFADHO C[C@@H](CC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000193406491 240152967 /nfs/dbraw/zinc/15/29/67/240152967.db2.gz BQTUDHORZUXVIN-YWZLYKJASA-N 1 3 339.483 2.982 20 0 EFADHO C[C@]1(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC[NH2+]C1 ZINC000430698140 291356702 /nfs/dbraw/zinc/35/67/02/291356702.db2.gz CAZZETAXZUAZIT-LEWJYISDSA-N 1 3 341.499 2.501 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000236734324 242338873 /nfs/dbraw/zinc/33/88/73/242338873.db2.gz ZQZJYVHJBUXGFD-AWEZNQCLSA-N 1 3 327.856 2.592 20 0 EFADHO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H](N)c1ccccc1 ZINC000236696671 242323251 /nfs/dbraw/zinc/32/32/51/242323251.db2.gz CRWVIGBTGBGNJD-PKOBYXMFSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccsc1 ZINC000236834883 242376391 /nfs/dbraw/zinc/37/63/91/242376391.db2.gz YGOAWRPTUKXSCR-CVEARBPZSA-N 1 3 335.517 2.637 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)Cc1ccccc1)c1ccsc1 ZINC000236879712 242394367 /nfs/dbraw/zinc/39/43/67/242394367.db2.gz LYAPKRFNXNJDQQ-ZWKOTPCHSA-N 1 3 345.512 2.817 20 0 EFADHO c1cc(CN2CC[C@@H](N3CCOCC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000411309648 242788403 /nfs/dbraw/zinc/78/84/03/242788403.db2.gz KGAIYICZTCRHEJ-OAQYLSRUSA-N 1 3 343.515 2.579 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267254119 296114822 /nfs/dbraw/zinc/11/48/22/296114822.db2.gz OVBPSUBKPVJFHW-DYESRHJHSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1[NH+](C)C ZINC000412144085 243164723 /nfs/dbraw/zinc/16/47/23/243164723.db2.gz APJPMTMNUHDIMQ-QFBILLFUSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H](C)c1ccccc1 ZINC000414207172 296119115 /nfs/dbraw/zinc/11/91/15/296119115.db2.gz ZFCRRSBXNYIHOG-RTBURBONSA-N 1 3 345.531 2.565 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000268955505 296119196 /nfs/dbraw/zinc/11/91/96/296119196.db2.gz DKRFMRUIHKAVAT-LLVKDONJSA-N 1 3 332.366 2.534 20 0 EFADHO C[N@H+]1CC=C(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412228837 243217070 /nfs/dbraw/zinc/21/70/70/243217070.db2.gz GNOJHGKTBUIWQG-UHFFFAOYSA-N 1 3 327.472 2.664 20 0 EFADHO C[N@@H+]1CC=C(CNC(=O)c2cccc(CN3CCCCC3)c2)CC1 ZINC000412228837 243217077 /nfs/dbraw/zinc/21/70/77/243217077.db2.gz GNOJHGKTBUIWQG-UHFFFAOYSA-N 1 3 327.472 2.664 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000246440245 243255792 /nfs/dbraw/zinc/25/57/92/243255792.db2.gz UKONRKLLGXLUBC-BZUAXINKSA-N 1 3 333.476 2.827 20 0 EFADHO CCC[C@]1(CO)CCCN1CCC[N@@H+]1CCC[C@@]1(CO)CCC ZINC000444767613 284070999 /nfs/dbraw/zinc/07/09/99/284070999.db2.gz QTTOGGWFFRBVFF-RTBURBONSA-N 1 3 326.525 2.631 20 0 EFADHO CCC[C@]1(CO)CCCN1CCC[N@H+]1CCC[C@@]1(CO)CCC ZINC000444767613 284071002 /nfs/dbraw/zinc/07/10/02/284071002.db2.gz QTTOGGWFFRBVFF-RTBURBONSA-N 1 3 326.525 2.631 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000069748060 203046366 /nfs/dbraw/zinc/04/63/66/203046366.db2.gz ANHDBWBWWHIYNZ-UHFFFAOYSA-N 1 3 338.499 2.769 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000414086904 244000221 /nfs/dbraw/zinc/00/02/21/244000221.db2.gz HOUJNUFBUCMTDA-QZTJIDSGSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](NCC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171769 244031504 /nfs/dbraw/zinc/03/15/04/244031504.db2.gz DRDIREFNWPEEMC-KBPBESRZSA-N 1 3 342.480 2.612 20 0 EFADHO C[C@H](NCC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000414171769 244031513 /nfs/dbraw/zinc/03/15/13/244031513.db2.gz DRDIREFNWPEEMC-KBPBESRZSA-N 1 3 342.480 2.612 20 0 EFADHO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194143 244041699 /nfs/dbraw/zinc/04/16/99/244041699.db2.gz NLKNGJILKAHTBY-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CC1CC[NH+](CCCCNCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000414276499 244071564 /nfs/dbraw/zinc/07/15/64/244071564.db2.gz AAEUMTODCXOOCN-UHFFFAOYSA-N 1 3 344.546 2.753 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414280161 244073449 /nfs/dbraw/zinc/07/34/49/244073449.db2.gz CEIPYEXLQSDJRU-AWEZNQCLSA-N 1 3 344.546 2.896 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1ccc(S(C)(=O)=O)s1 ZINC000414280161 244073457 /nfs/dbraw/zinc/07/34/57/244073457.db2.gz CEIPYEXLQSDJRU-AWEZNQCLSA-N 1 3 344.546 2.896 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1(C)CC1 ZINC000414319864 244087309 /nfs/dbraw/zinc/08/73/09/244087309.db2.gz ASRBERHQEFLRRB-HNNXBMFYSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331783 244089924 /nfs/dbraw/zinc/08/99/24/244089924.db2.gz UIEUEFVPPOYDPT-KXBFYZLASA-N 1 3 329.488 2.662 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000414510329 244202800 /nfs/dbraw/zinc/20/28/00/244202800.db2.gz DSYBCBCSBQSFIS-SCTDSRPQSA-N 1 3 331.504 2.732 20 0 EFADHO OC1(C[NH2+]C/C=C\c2ccncc2)CCN(Cc2ccccc2)CC1 ZINC000414526538 244211045 /nfs/dbraw/zinc/21/10/45/244211045.db2.gz OTUODGIJHGPFGZ-DAXSKMNVSA-N 1 3 337.467 2.712 20 0 EFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccn(C)c1 ZINC000414527573 244211119 /nfs/dbraw/zinc/21/11/19/244211119.db2.gz MWIPEPQWGZNWQA-WOJBJXKFSA-N 1 3 327.472 2.652 20 0 EFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccn(C)c1 ZINC000414527573 244211127 /nfs/dbraw/zinc/21/11/27/244211127.db2.gz MWIPEPQWGZNWQA-WOJBJXKFSA-N 1 3 327.472 2.652 20 0 EFADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000414536810 244218139 /nfs/dbraw/zinc/21/81/39/244218139.db2.gz YFBGPTPAWBMTLO-INIZCTEOSA-N 1 3 329.419 2.555 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)CC1 ZINC000414550299 244228297 /nfs/dbraw/zinc/22/82/97/244228297.db2.gz CRLYTQIYTBMWEY-QGZVFWFLSA-N 1 3 341.499 2.830 20 0 EFADHO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695900 244295094 /nfs/dbraw/zinc/29/50/94/244295094.db2.gz GBGYRXIZCCPEHX-GFCCVEGCSA-N 1 3 344.286 2.623 20 0 EFADHO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414695900 244295098 /nfs/dbraw/zinc/29/50/98/244295098.db2.gz GBGYRXIZCCPEHX-GFCCVEGCSA-N 1 3 344.286 2.623 20 0 EFADHO C[C@@H]1C[C@H](CN(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[NH2+]1 ZINC000414703485 244299068 /nfs/dbraw/zinc/29/90/68/244299068.db2.gz VOFHLYODMQKIOH-CKEIUWERSA-N 1 3 335.879 2.765 20 0 EFADHO C[C@H]1C[C@@H](CN2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414679084 244288909 /nfs/dbraw/zinc/28/89/09/244288909.db2.gz KYMHMYLUNKGUNP-KBPBESRZSA-N 1 3 327.925 2.907 20 0 EFADHO C[C@H]1C[C@H](CN2CCN(Cc3ccc(Cl)s3)CC2)CC[NH2+]1 ZINC000414679087 244288962 /nfs/dbraw/zinc/28/89/62/244288962.db2.gz KYMHMYLUNKGUNP-UONOGXRCSA-N 1 3 327.925 2.907 20 0 EFADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717159 244303018 /nfs/dbraw/zinc/30/30/18/244303018.db2.gz XUNMHERQNMAFHM-VQTJNVASSA-N 1 3 345.531 2.835 20 0 EFADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414717159 244303023 /nfs/dbraw/zinc/30/30/23/244303023.db2.gz XUNMHERQNMAFHM-VQTJNVASSA-N 1 3 345.531 2.835 20 0 EFADHO CCN(CC(=O)Nc1c(F)cccc1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414728098 244311662 /nfs/dbraw/zinc/31/16/62/244311662.db2.gz CACKOIMXJVXIDL-CHWSQXEVSA-N 1 3 325.403 2.613 20 0 EFADHO Cc1nn(-c2cccc(F)c2)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000414771458 244339628 /nfs/dbraw/zinc/33/96/28/244339628.db2.gz ZVEIRTZDZPIXNP-UHFFFAOYSA-N 1 3 328.435 2.895 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000414741270 244318101 /nfs/dbraw/zinc/31/81/01/244318101.db2.gz KNLZSJQCPXEAHI-OAHLLOKOSA-N 1 3 349.906 2.717 20 0 EFADHO Fc1ccc(Cn2cc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414771883 244338601 /nfs/dbraw/zinc/33/86/01/244338601.db2.gz APDYVFGMMBKSSB-MOPGFXCFSA-N 1 3 342.462 2.892 20 0 EFADHO C[C@@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745587 244322155 /nfs/dbraw/zinc/32/21/55/244322155.db2.gz PMQHNHULNDUNKU-TZIWHRDSSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745587 244322158 /nfs/dbraw/zinc/32/21/58/244322158.db2.gz PMQHNHULNDUNKU-TZIWHRDSSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000072959802 203251579 /nfs/dbraw/zinc/25/15/79/203251579.db2.gz NVCPUKMSVPUWAL-KRWDZBQOSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2CCN(C)CC2)C1 ZINC000072959802 203251580 /nfs/dbraw/zinc/25/15/80/203251580.db2.gz NVCPUKMSVPUWAL-KRWDZBQOSA-N 1 3 343.515 2.877 20 0 EFADHO c1ccc(C2CCC(CN3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000414764099 244333052 /nfs/dbraw/zinc/33/30/52/244333052.db2.gz DPCHTUIRYJOAMO-MNLRITNHSA-N 1 3 327.516 2.940 20 0 EFADHO C[N@@H+](Cc1csc2ccccc12)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706593 244300009 /nfs/dbraw/zinc/30/00/09/244300009.db2.gz OSLNNCHLYYMVAL-CQSZACIVSA-N 1 3 331.485 2.530 20 0 EFADHO C[N@H+](Cc1csc2ccccc12)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414706593 244300013 /nfs/dbraw/zinc/30/00/13/244300013.db2.gz OSLNNCHLYYMVAL-CQSZACIVSA-N 1 3 331.485 2.530 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CC1 ZINC000414807046 244360587 /nfs/dbraw/zinc/36/05/87/244360587.db2.gz QQVLGVMWJLILFP-QMTHXVAHSA-N 1 3 345.365 2.629 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cnc2ccc(Br)cn12 ZINC000414808709 244362429 /nfs/dbraw/zinc/36/24/29/244362429.db2.gz SQDHFBHSTYUGEX-RISCZKNCSA-N 1 3 337.265 2.704 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl ZINC000073767688 203273438 /nfs/dbraw/zinc/27/34/38/203273438.db2.gz CLBWLFVKEWWSQT-UHFFFAOYSA-N 1 3 339.867 2.561 20 0 EFADHO COc1cc(Br)c(CNCC[C@H]2CCC[NH2+]C2)cc1O ZINC000414849229 244370958 /nfs/dbraw/zinc/37/09/58/244370958.db2.gz XUCCUYMEKCWZSX-LLVKDONJSA-N 1 3 343.265 2.643 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC(N[C@@H]2CCC[NH2+]C2)CC1 ZINC000414865669 244377379 /nfs/dbraw/zinc/37/73/79/244377379.db2.gz LNJIDRKGLPDOIJ-CQSZACIVSA-N 1 3 325.859 2.785 20 0 EFADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414777848 244341338 /nfs/dbraw/zinc/34/13/38/244341338.db2.gz INMONYSZPLKGOR-GJZGRUSLSA-N 1 3 336.863 2.948 20 0 EFADHO Clc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCO2 ZINC000414780767 244344602 /nfs/dbraw/zinc/34/46/02/244344602.db2.gz LXSWAFBNFOKMLI-LSDHHAIUSA-N 1 3 336.863 2.933 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784041 244348858 /nfs/dbraw/zinc/34/88/58/244348858.db2.gz QSBQCFYVAOOHKH-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784041 244348863 /nfs/dbraw/zinc/34/88/63/244348863.db2.gz QSBQCFYVAOOHKH-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784041 244348866 /nfs/dbraw/zinc/34/88/66/244348866.db2.gz QSBQCFYVAOOHKH-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO c1ccc(C2CCC(C[N@@H+]3CC[C@@H](N4CCNCC4)C3)CC2)cc1 ZINC000414788244 244350812 /nfs/dbraw/zinc/35/08/12/244350812.db2.gz NGYRDVZPSOVOEF-DQVLVPHSSA-N 1 3 327.516 2.940 20 0 EFADHO c1ccc(C2CCC(C[N@H+]3CC[C@@H](N4CCNCC4)C3)CC2)cc1 ZINC000414788244 244350817 /nfs/dbraw/zinc/35/08/17/244350817.db2.gz NGYRDVZPSOVOEF-DQVLVPHSSA-N 1 3 327.516 2.940 20 0 EFADHO COc1ccc2oc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2c1 ZINC000414789683 244353237 /nfs/dbraw/zinc/35/32/37/244353237.db2.gz YLJILDKJDKIVLS-OAHLLOKOSA-N 1 3 330.428 2.629 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550771 203268379 /nfs/dbraw/zinc/26/83/79/203268379.db2.gz RYUYRPOPNYEWFN-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000414880775 244384417 /nfs/dbraw/zinc/38/44/17/244384417.db2.gz KCWKKZKVCYGSKD-SFHVURJKSA-N 1 3 336.480 2.512 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCC[C@H]1CCC[NH2+]1 ZINC000414910433 244396177 /nfs/dbraw/zinc/39/61/77/244396177.db2.gz VLIYLQOAZOBLLL-WMLDXEAASA-N 1 3 337.895 2.809 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC000075325316 203312744 /nfs/dbraw/zinc/31/27/44/203312744.db2.gz DDTOESOEUDGDQB-WOJBJXKFSA-N 1 3 345.531 2.943 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC000075325316 203312745 /nfs/dbraw/zinc/31/27/45/203312745.db2.gz DDTOESOEUDGDQB-WOJBJXKFSA-N 1 3 345.531 2.943 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000075538075 203317691 /nfs/dbraw/zinc/31/76/91/203317691.db2.gz MKLAXQQQCKGYCC-KRWDZBQOSA-N 1 3 332.492 2.944 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000075860686 203325665 /nfs/dbraw/zinc/32/56/65/203325665.db2.gz AJALJOJBKNHPBY-INIZCTEOSA-N 1 3 347.459 2.550 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000075860686 203325668 /nfs/dbraw/zinc/32/56/68/203325668.db2.gz AJALJOJBKNHPBY-INIZCTEOSA-N 1 3 347.459 2.550 20 0 EFADHO C[N@@H+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110050 203339219 /nfs/dbraw/zinc/33/92/19/203339219.db2.gz GKGROEKAYDLWEO-IBGZPJMESA-N 1 3 337.467 2.739 20 0 EFADHO C[N@H+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110050 203339222 /nfs/dbraw/zinc/33/92/22/203339222.db2.gz GKGROEKAYDLWEO-IBGZPJMESA-N 1 3 337.467 2.739 20 0 EFADHO CO[C@H]1CCCN(Cc2ccc(C[N@@H+]3CCC[C@H](OC)C3)cc2)C1 ZINC000076346519 203349187 /nfs/dbraw/zinc/34/91/87/203349187.db2.gz CACFWHJNWDXPIW-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@H]1CCCN(Cc2ccc(C[N@H+]3CCC[C@H](OC)C3)cc2)C1 ZINC000076346519 203349189 /nfs/dbraw/zinc/34/91/89/203349189.db2.gz CACFWHJNWDXPIW-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269048643 296145816 /nfs/dbraw/zinc/14/58/16/296145816.db2.gz VGKMHBLMLTXDGP-NWDGAFQWSA-N 1 3 334.432 2.674 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000261875732 244711152 /nfs/dbraw/zinc/71/11/52/244711152.db2.gz YLAXJIGOGUWVCD-DOTOQJQBSA-N 1 3 335.517 2.594 20 0 EFADHO CN(C)CCN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1 ZINC000262441500 244978594 /nfs/dbraw/zinc/97/85/94/244978594.db2.gz UXLDHOMOXYYNMR-GIOYIUAESA-N 1 3 329.488 2.735 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000417070276 245005702 /nfs/dbraw/zinc/00/57/02/245005702.db2.gz FYBOPGRNPHONLW-IPMKNSEASA-N 1 3 344.503 2.736 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000417070276 245005707 /nfs/dbraw/zinc/00/57/07/245005707.db2.gz FYBOPGRNPHONLW-IPMKNSEASA-N 1 3 344.503 2.736 20 0 EFADHO C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208473 245046728 /nfs/dbraw/zinc/04/67/28/245046728.db2.gz AYBXBRMZODRBDE-MJGOQNOKSA-N 1 3 346.519 2.614 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000417217889 245051020 /nfs/dbraw/zinc/05/10/20/245051020.db2.gz DYUNWUBEOFFPGV-DKKFBQAASA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262634509 245083515 /nfs/dbraw/zinc/08/35/15/245083515.db2.gz GYMJREMWXNVTNF-APWZRJJASA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000262634509 245083519 /nfs/dbraw/zinc/08/35/19/245083519.db2.gz GYMJREMWXNVTNF-APWZRJJASA-N 1 3 329.488 2.799 20 0 EFADHO CC(C)(C[NH2+]C1CCN(C2CCCCC2)CC1)C1(O)CCOCC1 ZINC000417382861 245074674 /nfs/dbraw/zinc/07/46/74/245074674.db2.gz OJZXQSGPXXTPNL-UHFFFAOYSA-N 1 3 338.536 2.941 20 0 EFADHO CC(C)(CNC1CC[NH+](C2CCCCC2)CC1)C1(O)CCOCC1 ZINC000417382861 245074677 /nfs/dbraw/zinc/07/46/77/245074677.db2.gz OJZXQSGPXXTPNL-UHFFFAOYSA-N 1 3 338.536 2.941 20 0 EFADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)C1 ZINC000417388931 245077982 /nfs/dbraw/zinc/07/79/82/245077982.db2.gz PASQYFVVKLTQKJ-YDZRNGNQSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000417388931 245077991 /nfs/dbraw/zinc/07/79/91/245077991.db2.gz PASQYFVVKLTQKJ-YDZRNGNQSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000417388931 245077997 /nfs/dbraw/zinc/07/79/97/245077997.db2.gz PASQYFVVKLTQKJ-YDZRNGNQSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000417388925 245078673 /nfs/dbraw/zinc/07/86/73/245078673.db2.gz PASQYFVVKLTQKJ-FCGDIQPGSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000417388925 245078678 /nfs/dbraw/zinc/07/86/78/245078678.db2.gz PASQYFVVKLTQKJ-FCGDIQPGSA-N 1 3 349.469 2.826 20 0 EFADHO FC(F)CN1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000417388925 245078682 /nfs/dbraw/zinc/07/86/82/245078682.db2.gz PASQYFVVKLTQKJ-FCGDIQPGSA-N 1 3 349.469 2.826 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418314327 245119341 /nfs/dbraw/zinc/11/93/41/245119341.db2.gz SCFCCUFQQJGBGA-FUHWJXTLSA-N 1 3 338.540 2.528 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418118791 245112182 /nfs/dbraw/zinc/11/21/82/245112182.db2.gz UCTISKMYHZNWQR-YTQUADARSA-N 1 3 348.535 2.567 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418419825 245151704 /nfs/dbraw/zinc/15/17/04/245151704.db2.gz YDZVEVAGDVUOEG-RBUKOAKNSA-N 1 3 346.519 2.586 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418328492 245123371 /nfs/dbraw/zinc/12/33/71/245123371.db2.gz ASHUCQWLUGZOBC-APWZRJJASA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](NC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000418335532 245125415 /nfs/dbraw/zinc/12/54/15/245125415.db2.gz HKTKNFCYFZELGR-JVPBZIDWSA-N 1 3 340.471 2.527 20 0 EFADHO NC[C@H](NC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000418344765 245129772 /nfs/dbraw/zinc/12/97/72/245129772.db2.gz KWEJDUMSHQCRGZ-BEFAXECRSA-N 1 3 340.471 2.529 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418402494 245146182 /nfs/dbraw/zinc/14/61/82/245146182.db2.gz HNGMKFHWZUOFMX-RBUKOAKNSA-N 1 3 346.519 2.797 20 0 EFADHO CCCN(C(=O)NCCCC[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418507188 245180344 /nfs/dbraw/zinc/18/03/44/245180344.db2.gz IIJFGGZTCYCFDQ-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418443772 245161209 /nfs/dbraw/zinc/16/12/09/245161209.db2.gz NWDZEHQGTBXESD-QZTJIDSGSA-N 1 3 328.460 2.512 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418448957 245162779 /nfs/dbraw/zinc/16/27/79/245162779.db2.gz RPSDESHPVHAFIE-SFHVURJKSA-N 1 3 346.519 2.810 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418456334 245164486 /nfs/dbraw/zinc/16/44/86/245164486.db2.gz FQLZQAGKXBESSZ-LIRRHRJNSA-N 1 3 340.471 2.768 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418456331 245164937 /nfs/dbraw/zinc/16/49/37/245164937.db2.gz FQLZQAGKXBESSZ-AUUYWEPGSA-N 1 3 340.471 2.768 20 0 EFADHO CCN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418566165 245195907 /nfs/dbraw/zinc/19/59/07/245195907.db2.gz ADRBNIQTDNGAEG-GUDVDZBRSA-N 1 3 344.503 2.562 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H]1NCCc2ccccc21 ZINC000418634362 245219229 /nfs/dbraw/zinc/21/92/29/245219229.db2.gz JIBLHQJKGXMKPK-IBGZPJMESA-N 1 3 346.519 2.637 20 0 EFADHO CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418664874 245236457 /nfs/dbraw/zinc/23/64/57/245236457.db2.gz BGCSZCSGYYSCMJ-MJGOQNOKSA-N 1 3 346.519 2.810 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)c1ccccc1 ZINC000418673140 245239248 /nfs/dbraw/zinc/23/92/48/245239248.db2.gz NFGVUVAAZKHCQQ-RBUKOAKNSA-N 1 3 344.503 2.736 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000418673486 245239481 /nfs/dbraw/zinc/23/94/81/245239481.db2.gz OBDKLAOGMJDEQJ-MSOLQXFVSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418673127 245239819 /nfs/dbraw/zinc/23/98/19/245239819.db2.gz NWXQZQAFIAUBGN-HKUYNNGSSA-N 1 3 346.519 2.810 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000418725999 245262625 /nfs/dbraw/zinc/26/26/25/245262625.db2.gz CQARXCSKSDOWFE-HKUYNNGSSA-N 1 3 346.519 2.586 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418685124 245245580 /nfs/dbraw/zinc/24/55/80/245245580.db2.gz IDLHAHBOKMUONB-MJGOQNOKSA-N 1 3 346.519 2.667 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)C3(N)CCCC3)cc2)CC1 ZINC000236633529 203958664 /nfs/dbraw/zinc/95/86/64/203958664.db2.gz NAORNSOOWFEDNK-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](N)C(C)C)ccc21 ZINC000236897362 204089681 /nfs/dbraw/zinc/08/96/81/204089681.db2.gz DGNXEOWPYCAAGG-SFHVURJKSA-N 1 3 330.476 2.905 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000419144720 245344846 /nfs/dbraw/zinc/34/48/46/245344846.db2.gz PALAPWUHGNYKGT-HNAYVOBHSA-N 1 3 347.478 2.950 20 0 EFADHO [NH3+]CCC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000042427849 204096536 /nfs/dbraw/zinc/09/65/36/204096536.db2.gz IJDRPFLMXGWMIM-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000105075282 204132641 /nfs/dbraw/zinc/13/26/41/204132641.db2.gz MPTMRNSJZALTPM-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000105075282 204132645 /nfs/dbraw/zinc/13/26/45/204132645.db2.gz MPTMRNSJZALTPM-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)CCN1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000105418014 204145953 /nfs/dbraw/zinc/14/59/53/204145953.db2.gz RMTYUDVPBHJIBV-UHFFFAOYSA-N 1 3 331.504 2.516 20 0 EFADHO Cc1ccc(CC(C)(C)NCC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000419330163 245381171 /nfs/dbraw/zinc/38/11/71/245381171.db2.gz HPMJUISPYCWNQX-UHFFFAOYSA-N 1 3 345.531 2.895 20 0 EFADHO C[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C2CC2)cc1 ZINC000419331673 245382030 /nfs/dbraw/zinc/38/20/30/245382030.db2.gz DAIXNIVKBLJBCW-HNNXBMFYSA-N 1 3 341.499 2.958 20 0 EFADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000110978508 204328254 /nfs/dbraw/zinc/32/82/54/204328254.db2.gz CCNOGLLUBQGEOW-YQQQUEKLSA-N 1 3 329.488 2.638 20 0 EFADHO CC(C)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110978508 204328261 /nfs/dbraw/zinc/32/82/61/204328261.db2.gz CCNOGLLUBQGEOW-YQQQUEKLSA-N 1 3 329.488 2.638 20 0 EFADHO CN(c1ccccc1C[NH2+]CCCn1cccn1)C1CCN(C)CC1 ZINC000123077615 204902304 /nfs/dbraw/zinc/90/23/04/204902304.db2.gz NHYHYLOPUPKUEM-UHFFFAOYSA-N 1 3 341.503 2.593 20 0 EFADHO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(-n2cnnn2)cc1 ZINC000125989536 205034170 /nfs/dbraw/zinc/03/41/70/205034170.db2.gz XVYBCOQASQBFKY-PBHICJAKSA-N 1 3 330.480 2.679 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000156398546 205082241 /nfs/dbraw/zinc/08/22/41/205082241.db2.gz UHTOEBKYEGNJPO-KBPBESRZSA-N 1 3 329.444 2.694 20 0 EFADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)c2nc3ccccc3o2)CC1 ZINC000245528310 205140185 /nfs/dbraw/zinc/14/01/85/205140185.db2.gz BIYJKPQMQBSQFM-HUUCEWRRSA-N 1 3 331.460 2.913 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(OC(F)F)cc1 ZINC000128571981 205151767 /nfs/dbraw/zinc/15/17/67/205151767.db2.gz IWUQDCODZKIVME-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000246545221 205211968 /nfs/dbraw/zinc/21/19/68/205211968.db2.gz SSFGZHJOBCZJCQ-WDSOQIARSA-N 1 3 329.488 2.799 20 0 EFADHO CCC[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340109 245633649 /nfs/dbraw/zinc/63/36/49/245633649.db2.gz MQOISOIZFVDWQX-AABGKKOBSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)C1 ZINC000421352347 245938836 /nfs/dbraw/zinc/93/88/36/245938836.db2.gz QGMIELMGRUIBKX-LSTDLKDCSA-N 1 3 335.536 2.911 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000155745033 206031547 /nfs/dbraw/zinc/03/15/47/206031547.db2.gz GLICQWZBIBRPMG-KSSFIOAISA-N 1 3 333.476 2.782 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCCC1 ZINC000421842132 246134262 /nfs/dbraw/zinc/13/42/62/246134262.db2.gz MQZLSZGZCFNMGI-QFBILLFUSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1 ZINC000156620520 206088218 /nfs/dbraw/zinc/08/82/18/206088218.db2.gz QZFKXFPFPQZNHA-MRXNPFEDSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccncc1 ZINC000156620394 206088680 /nfs/dbraw/zinc/08/86/80/206088680.db2.gz QZFKXFPFPQZNHA-INIZCTEOSA-N 1 3 325.456 2.889 20 0 EFADHO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1=O ZINC000421885831 246153321 /nfs/dbraw/zinc/15/33/21/246153321.db2.gz ROPNPRCYVMZZGP-SJORKVTESA-N 1 3 347.503 2.536 20 0 EFADHO C[C@H](N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000157223278 206123519 /nfs/dbraw/zinc/12/35/19/206123519.db2.gz QPOHEJYYNQVUQD-NSHDSACASA-N 1 3 332.275 2.621 20 0 EFADHO CC[N@H+](CC1CC1)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000157850582 206159328 /nfs/dbraw/zinc/15/93/28/206159328.db2.gz WIURYTLIOJVTCW-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@@H+](CC1CC1)[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000157850582 206159330 /nfs/dbraw/zinc/15/93/30/206159330.db2.gz WIURYTLIOJVTCW-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000158190534 206177625 /nfs/dbraw/zinc/17/76/25/206177625.db2.gz YIOATJLMQYRVTA-YLJYHZDGSA-N 1 3 342.483 2.881 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158482123 206194093 /nfs/dbraw/zinc/19/40/93/206194093.db2.gz PQTUDGFBBISSDV-WBVHZDCISA-N 1 3 332.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158482123 206194098 /nfs/dbraw/zinc/19/40/98/206194098.db2.gz PQTUDGFBBISSDV-WBVHZDCISA-N 1 3 332.444 2.600 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158482123 206194102 /nfs/dbraw/zinc/19/41/02/206194102.db2.gz PQTUDGFBBISSDV-WBVHZDCISA-N 1 3 332.444 2.600 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CCCOc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000158482123 206194104 /nfs/dbraw/zinc/19/41/04/206194104.db2.gz PQTUDGFBBISSDV-WBVHZDCISA-N 1 3 332.444 2.600 20 0 EFADHO CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159039555 206222277 /nfs/dbraw/zinc/22/22/77/206222277.db2.gz XQDVLUKPLCWBGL-NJDAHSKKSA-N 1 3 346.515 2.759 20 0 EFADHO CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159039555 206222281 /nfs/dbraw/zinc/22/22/81/206222281.db2.gz XQDVLUKPLCWBGL-NJDAHSKKSA-N 1 3 346.515 2.759 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccsc1 ZINC000422587504 246395063 /nfs/dbraw/zinc/39/50/63/246395063.db2.gz DZQJVZLSMDHHCO-CQSZACIVSA-N 1 3 326.510 2.558 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000422710911 246423987 /nfs/dbraw/zinc/42/39/87/246423987.db2.gz LWVNBMJQJAXAGY-UZLBHIALSA-N 1 3 332.488 2.860 20 0 EFADHO FC(F)(F)c1ccccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422738197 246438349 /nfs/dbraw/zinc/43/83/49/246438349.db2.gz IQCCLNOTWXKMPW-USXIJHARSA-N 1 3 342.405 2.995 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000422753041 246446031 /nfs/dbraw/zinc/44/60/31/246446031.db2.gz DEAZATYBUPQZML-RSPOEFSDSA-N 1 3 332.488 2.586 20 0 EFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422920807 246513244 /nfs/dbraw/zinc/51/32/44/246513244.db2.gz MSCMCEASTZTAPI-SKDRFNHKSA-N 1 3 337.773 2.850 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000423122922 246576317 /nfs/dbraw/zinc/57/63/17/246576317.db2.gz LPZZSJBBENZKGD-GKCIPKSASA-N 1 3 325.456 2.666 20 0 EFADHO C[NH+](C)CCOc1ccc(CNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000423318517 246620149 /nfs/dbraw/zinc/62/01/49/246620149.db2.gz BWRYEHMQSPKKHA-IBGZPJMESA-N 1 3 347.503 2.541 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130303 246580302 /nfs/dbraw/zinc/58/03/02/246580302.db2.gz GPFBNMDEDUMSHA-PWRODBHTSA-N 1 3 343.515 2.924 20 0 EFADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423401922 246626261 /nfs/dbraw/zinc/62/62/61/246626261.db2.gz XUTIMOSFKNEDRA-HOTGVXAUSA-N 1 3 345.384 2.629 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CC[C@H](C(=O)OC)c2ccccc2)[C@H](C)C1 ZINC000425414224 247076336 /nfs/dbraw/zinc/07/63/36/247076336.db2.gz ICWXYGXDGZWPCS-NEWSRXKRSA-N 1 3 332.488 2.995 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CC[C@H](C(=O)OC)c2ccccc2)[C@H](C)C1 ZINC000425414224 247076339 /nfs/dbraw/zinc/07/63/39/247076339.db2.gz ICWXYGXDGZWPCS-NEWSRXKRSA-N 1 3 332.488 2.995 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000265099763 247201843 /nfs/dbraw/zinc/20/18/43/247201843.db2.gz SWZCYUCZWJAYRU-QGZVFWFLSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN(C)C ZINC000425932507 247214988 /nfs/dbraw/zinc/21/49/88/247214988.db2.gz QLXAFHYWRYIZBN-CVEARBPZSA-N 1 3 345.487 2.629 20 0 EFADHO C[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427271819 247332168 /nfs/dbraw/zinc/33/21/68/247332168.db2.gz HCWBKIGLINEFEM-OALUTQOASA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000427270346 247332227 /nfs/dbraw/zinc/33/22/27/247332227.db2.gz STGJIONJJNHVEH-ZHALLVOQSA-N 1 3 329.488 2.545 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000427283059 247333261 /nfs/dbraw/zinc/33/32/61/247333261.db2.gz VRSPYPRCVCHOGT-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000427270345 247333654 /nfs/dbraw/zinc/33/36/54/247333654.db2.gz STGJIONJJNHVEH-LMMKCTJWSA-N 1 3 329.488 2.545 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000427312970 247336273 /nfs/dbraw/zinc/33/62/73/247336273.db2.gz KWQHQVSEQOVISA-MJGOQNOKSA-N 1 3 331.504 2.748 20 0 EFADHO Cc1cc(C)n(CC[NH+]2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426814144 247302023 /nfs/dbraw/zinc/30/20/23/247302023.db2.gz CTFQRSJTCFVYDA-KDURUIRLSA-N 1 3 348.535 2.711 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430945670 247854798 /nfs/dbraw/zinc/85/47/98/247854798.db2.gz SEHYHAZNWUPGDS-KBPBESRZSA-N 1 3 337.895 2.919 20 0 EFADHO C[NH2+]CC1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430957775 247856181 /nfs/dbraw/zinc/85/61/81/247856181.db2.gz UMBYIBWMTLRDJO-UONOGXRCSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CN(C)C)C1 ZINC000433313643 248043031 /nfs/dbraw/zinc/04/30/31/248043031.db2.gz WIAVLRBEWCSMIT-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CN(C)C)C1 ZINC000433313643 248043034 /nfs/dbraw/zinc/04/30/34/248043034.db2.gz WIAVLRBEWCSMIT-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433229168 248032501 /nfs/dbraw/zinc/03/25/01/248032501.db2.gz QZDWGZXGERSWPP-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000433229168 248032505 /nfs/dbraw/zinc/03/25/05/248032505.db2.gz QZDWGZXGERSWPP-CALCHBBNSA-N 1 3 331.504 2.846 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H]1C ZINC000434356837 248145601 /nfs/dbraw/zinc/14/56/01/248145601.db2.gz YYSYZXLDHNIPAM-SZMVWBNQSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCCN2C2CC2)C[C@@H]1C ZINC000434356837 248145604 /nfs/dbraw/zinc/14/56/04/248145604.db2.gz YYSYZXLDHNIPAM-SZMVWBNQSA-N 1 3 336.524 2.518 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000434421547 248153139 /nfs/dbraw/zinc/15/31/39/248153139.db2.gz WWCDATAJUBTWTF-QFBILLFUSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000434421547 248153141 /nfs/dbraw/zinc/15/31/41/248153141.db2.gz WWCDATAJUBTWTF-QFBILLFUSA-N 1 3 333.520 2.774 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN1CCC([C@@H](C)[NH3+])CC1 ZINC000435374524 248231851 /nfs/dbraw/zinc/23/18/51/248231851.db2.gz XULLDRGMRLPURU-GFCCVEGCSA-N 1 3 346.427 2.787 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565254 249376067 /nfs/dbraw/zinc/37/60/67/249376067.db2.gz FSRBOVLVNPDTAL-MRXNPFEDSA-N 1 3 335.517 2.561 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000446617362 284730311 /nfs/dbraw/zinc/73/03/11/284730311.db2.gz LJOMUTZMZZMXBI-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442754286 250111927 /nfs/dbraw/zinc/11/19/27/250111927.db2.gz HZAGAULMYDORAN-UONOGXRCSA-N 1 3 332.423 2.786 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000442778536 250116079 /nfs/dbraw/zinc/11/60/79/250116079.db2.gz HDCHCMOWRFFBNY-LMNJBCLMSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442778536 250116081 /nfs/dbraw/zinc/11/60/81/250116081.db2.gz HDCHCMOWRFFBNY-LMNJBCLMSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)[C@H](COCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442880754 250133979 /nfs/dbraw/zinc/13/39/79/250133979.db2.gz YDIVJTRTTKMMCX-FQEVSTJZSA-N 1 3 347.547 2.843 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443054879 250154072 /nfs/dbraw/zinc/15/40/72/250154072.db2.gz ARMSHVDLELQYTK-RRFJBIMHSA-N 1 3 337.895 2.967 20 0 EFADHO CC[C@H](NC(=O)CN1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443062013 250155174 /nfs/dbraw/zinc/15/51/74/250155174.db2.gz SZSRTOOGBNZKEO-YOEHRIQHSA-N 1 3 337.895 2.968 20 0 EFADHO CN(C(=O)CN1CCC[C@H](CC[NH3+])C1)[C@H]1CCCc2ccccc21 ZINC000443069786 250156835 /nfs/dbraw/zinc/15/68/35/250156835.db2.gz KNLILSAJTRIFGW-APWZRJJASA-N 1 3 329.488 2.583 20 0 EFADHO C[C@H](C(=O)Nc1cccc2ncccc21)N1CCC[C@@H](CC[NH3+])C1 ZINC000443068855 250157504 /nfs/dbraw/zinc/15/75/04/250157504.db2.gz ISPZVMWGQQWFEF-CABCVRRESA-N 1 3 326.444 2.623 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000444024745 250250994 /nfs/dbraw/zinc/25/09/94/250250994.db2.gz YAYJBOWPJMYQBU-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc2c(c1)CNC2)CC(C)C ZINC000416961074 284818459 /nfs/dbraw/zinc/81/84/59/284818459.db2.gz RLNMXPRVEFJNNW-IBGZPJMESA-N 1 3 346.519 2.846 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000449163770 250938211 /nfs/dbraw/zinc/93/82/11/250938211.db2.gz WWYPRSZTAVUWFR-KRWDZBQOSA-N 1 3 337.483 2.740 20 0 EFADHO CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449399659 251015299 /nfs/dbraw/zinc/01/52/99/251015299.db2.gz CKPQTWWJMADZPZ-FXAWDEMLSA-N 1 3 333.520 2.979 20 0 EFADHO C[C@H](CC(C)(C)O)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000449447957 251029326 /nfs/dbraw/zinc/02/93/26/251029326.db2.gz CSTAKYMNAQIIDV-MRXNPFEDSA-N 1 3 333.520 2.856 20 0 EFADHO CC(C)N1CC[C@@H](N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000175163305 207099792 /nfs/dbraw/zinc/09/97/92/207099792.db2.gz FJYJEQKLRTXFLP-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@@H](N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000175163305 207099796 /nfs/dbraw/zinc/09/97/96/207099796.db2.gz FJYJEQKLRTXFLP-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1)C1CC1 ZINC000449705585 251124043 /nfs/dbraw/zinc/12/40/43/251124043.db2.gz KXBITHALFGDXCA-SFHVURJKSA-N 1 3 329.488 2.789 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000175512659 207135034 /nfs/dbraw/zinc/13/50/34/207135034.db2.gz YGHFQYBPRLYVFK-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000449786651 251155262 /nfs/dbraw/zinc/15/52/62/251155262.db2.gz PESKXXNAAYLPQO-FQEVSTJZSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000449786651 251155264 /nfs/dbraw/zinc/15/52/64/251155264.db2.gz PESKXXNAAYLPQO-FQEVSTJZSA-N 1 3 344.547 2.743 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198064 207200149 /nfs/dbraw/zinc/20/01/49/207200149.db2.gz MZWKJOSJXCQEEA-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198064 207200152 /nfs/dbraw/zinc/20/01/52/207200152.db2.gz MZWKJOSJXCQEEA-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198079 207201204 /nfs/dbraw/zinc/20/12/04/207201204.db2.gz MZWKJOSJXCQEEA-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCN(C)C ZINC000176198079 207201208 /nfs/dbraw/zinc/20/12/08/207201208.db2.gz MZWKJOSJXCQEEA-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO CC[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000176245404 207206579 /nfs/dbraw/zinc/20/65/79/207206579.db2.gz SRUPXNRAEQIDJV-KRWDZBQOSA-N 1 3 329.488 2.631 20 0 EFADHO CCCc1ccc2[nH+]ccc(N[C@H](C)CN3CCN(C)CC3)c2c1 ZINC000450319329 251343650 /nfs/dbraw/zinc/34/36/50/251343650.db2.gz QKUCSYMQAORJQA-MRXNPFEDSA-N 1 3 326.488 2.657 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2ccc(CSC(F)F)o2)CC1 ZINC000176989420 207281308 /nfs/dbraw/zinc/28/13/08/207281308.db2.gz BXYONQXYJSLFFB-UHFFFAOYSA-N 1 3 347.475 2.851 20 0 EFADHO Cn1cncc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176984893 207280947 /nfs/dbraw/zinc/28/09/47/207280947.db2.gz AITKZNKRHLBPNE-UHFFFAOYSA-N 1 3 342.487 2.581 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000177107131 207295334 /nfs/dbraw/zinc/29/53/34/207295334.db2.gz SGFVFSKVDVLRBS-HDICACEKSA-N 1 3 346.519 2.661 20 0 EFADHO CN1CCC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CC1 ZINC000177400711 207332049 /nfs/dbraw/zinc/33/20/49/207332049.db2.gz UKQHVQOCTHKYEO-UHFFFAOYSA-N 1 3 345.531 2.742 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cccnc3)CC2)C[C@H](C)O1 ZINC000177495134 207344418 /nfs/dbraw/zinc/34/44/18/207344418.db2.gz RJECFJZGCIKZKD-HDICACEKSA-N 1 3 331.504 2.835 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CCc3ccccn3)CC2)C[C@H](C)O1 ZINC000177500228 207345974 /nfs/dbraw/zinc/34/59/74/207345974.db2.gz VUQUMUVBGNRQKY-ROUUACIJSA-N 1 3 331.504 2.835 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000342812996 296329345 /nfs/dbraw/zinc/32/93/45/296329345.db2.gz NUMXCRFGNCCYEO-QKUWSGOFSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000342812996 296329347 /nfs/dbraw/zinc/32/93/47/296329347.db2.gz NUMXCRFGNCCYEO-QKUWSGOFSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000454250642 252188096 /nfs/dbraw/zinc/18/80/96/252188096.db2.gz BOIIUTFRVFDGEK-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCCC[C@H]1C ZINC000454250640 252188119 /nfs/dbraw/zinc/18/81/19/252188119.db2.gz BOIIUTFRVFDGEK-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)N(C)C ZINC000454247871 252188282 /nfs/dbraw/zinc/18/82/82/252188282.db2.gz RANJUVDBXCTFEU-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)N(C)C ZINC000454276973 252199218 /nfs/dbraw/zinc/19/92/18/252199218.db2.gz YGGSSFHKUWUPKF-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)N(C)C ZINC000454276973 252199223 /nfs/dbraw/zinc/19/92/23/252199223.db2.gz YGGSSFHKUWUPKF-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1OC ZINC000268753167 252204227 /nfs/dbraw/zinc/20/42/27/252204227.db2.gz WAINAMRTKPVMEE-OAHLLOKOSA-N 1 3 338.492 2.959 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@@H](C)OC)cc1OC ZINC000268773801 252224502 /nfs/dbraw/zinc/22/45/02/252224502.db2.gz AMKDZAKJSRGXNM-JKSUJKDBSA-N 1 3 338.492 2.929 20 0 EFADHO C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787782 252238954 /nfs/dbraw/zinc/23/89/54/252238954.db2.gz WKZKGEWUIPWWBS-MRXNPFEDSA-N 1 3 342.487 2.939 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268799379 252251694 /nfs/dbraw/zinc/25/16/94/252251694.db2.gz APYXEYSQIQDXOX-UKRRQHHQSA-N 1 3 346.393 2.735 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818502 252269688 /nfs/dbraw/zinc/26/96/88/252269688.db2.gz GWIWJZGHOHHUGT-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818502 252269692 /nfs/dbraw/zinc/26/96/92/252269692.db2.gz GWIWJZGHOHHUGT-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818502 252269696 /nfs/dbraw/zinc/26/96/96/252269696.db2.gz GWIWJZGHOHHUGT-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N(C)C ZINC000454443627 252265001 /nfs/dbraw/zinc/26/50/01/252265001.db2.gz XFVXOXYVCMGNTF-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000268852428 252300789 /nfs/dbraw/zinc/30/07/89/252300789.db2.gz QDIMVACZZHBONR-GQWLDOHISA-N 1 3 340.467 2.936 20 0 EFADHO CC[C@@H](COC)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000268876055 252324984 /nfs/dbraw/zinc/32/49/84/252324984.db2.gz QOXQQOMLHGIXFW-KRWDZBQOSA-N 1 3 338.492 2.930 20 0 EFADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374175683 296351484 /nfs/dbraw/zinc/35/14/84/296351484.db2.gz RITNYCQKTRGZMT-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(C)cc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423401976 291849525 /nfs/dbraw/zinc/84/95/25/291849525.db2.gz XYNCWJKQZBHSRF-ZBFHGGJFSA-N 1 3 329.410 2.790 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1)C1CC1 ZINC000359779056 285098448 /nfs/dbraw/zinc/09/84/48/285098448.db2.gz TWUILBARZNQEQI-DNVCBOLYSA-N 1 3 329.488 2.693 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1)C1CC1 ZINC000352804446 285097827 /nfs/dbraw/zinc/09/78/27/285097827.db2.gz DMTYGNFGPFBUOZ-YLJYHZDGSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1)C1CC1 ZINC000352804446 285097828 /nfs/dbraw/zinc/09/78/28/285097828.db2.gz DMTYGNFGPFBUOZ-YLJYHZDGSA-N 1 3 341.499 2.837 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1 ZINC000344818394 285247777 /nfs/dbraw/zinc/24/77/77/285247777.db2.gz YXQNVJFBRPHMCP-IEBWSBKVSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccccc1 ZINC000344818394 285247779 /nfs/dbraw/zinc/24/77/79/285247779.db2.gz YXQNVJFBRPHMCP-IEBWSBKVSA-N 1 3 331.504 2.665 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC2 ZINC000346577455 285249505 /nfs/dbraw/zinc/24/95/05/285249505.db2.gz ANGQSGHFTHRVJW-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc2c(c1)CCC2 ZINC000346577455 285249507 /nfs/dbraw/zinc/24/95/07/285249507.db2.gz ANGQSGHFTHRVJW-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000346623788 285281270 /nfs/dbraw/zinc/28/12/70/285281270.db2.gz PGXLXUJHRGTROH-KRWDZBQOSA-N 1 3 337.895 2.828 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000346623788 285281271 /nfs/dbraw/zinc/28/12/71/285281271.db2.gz PGXLXUJHRGTROH-KRWDZBQOSA-N 1 3 337.895 2.828 20 0 EFADHO Cc1ccc([C@@H](O)CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000268996034 255511201 /nfs/dbraw/zinc/51/12/01/255511201.db2.gz NPBDDHVWXVJZPH-YJBOKZPZSA-N 1 3 332.444 2.913 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1CC ZINC000461980650 255964876 /nfs/dbraw/zinc/96/48/76/255964876.db2.gz DIADGXUFYMGDAT-KRWDZBQOSA-N 1 3 326.529 2.624 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C[C@@H]1C ZINC000361767018 285387324 /nfs/dbraw/zinc/38/73/24/285387324.db2.gz AURZYTXZFBAPIJ-KSZLIROESA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)C[C@@H]1C ZINC000361767018 285387325 /nfs/dbraw/zinc/38/73/25/285387325.db2.gz AURZYTXZFBAPIJ-KSZLIROESA-N 1 3 338.540 2.621 20 0 EFADHO Cc1nc2ccccc2n1CC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298519497 132392707 /nfs/dbraw/zinc/39/27/07/132392707.db2.gz RIMVMDRDTQWETI-UHFFFAOYSA-N 1 3 335.455 2.998 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000430577647 285586235 /nfs/dbraw/zinc/58/62/35/285586235.db2.gz CWYAJPWZEIZDNY-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000354136961 146641757 /nfs/dbraw/zinc/64/17/57/146641757.db2.gz KTCYTCKDJZGZCJ-WZGPROSRSA-N 1 3 346.519 2.850 20 0 EFADHO COc1ccc(CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126354573 141366360 /nfs/dbraw/zinc/36/63/60/141366360.db2.gz PCPAYLNUMHMVIY-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO CC1CC[NH+](CCN2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000182954463 141378210 /nfs/dbraw/zinc/37/82/10/141378210.db2.gz SOZPMCIFPIHZMK-UHFFFAOYSA-N 1 3 337.552 2.543 20 0 EFADHO CC1CCN(CC[NH+]2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000182954463 141378211 /nfs/dbraw/zinc/37/82/11/141378211.db2.gz SOZPMCIFPIHZMK-UHFFFAOYSA-N 1 3 337.552 2.543 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000344721239 142067023 /nfs/dbraw/zinc/06/70/23/142067023.db2.gz RPYSLUXLPPDXGD-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000344721239 142067024 /nfs/dbraw/zinc/06/70/24/142067024.db2.gz RPYSLUXLPPDXGD-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)N(CC)CC ZINC000345987723 142129137 /nfs/dbraw/zinc/12/91/37/142129137.db2.gz UEYQEAAYXURVSU-QZTJIDSGSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171839 142160645 /nfs/dbraw/zinc/16/06/45/142160645.db2.gz BJUNREMUSSWILH-FRQCXROJSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171839 142160646 /nfs/dbraw/zinc/16/06/46/142160646.db2.gz BJUNREMUSSWILH-FRQCXROJSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346442110 142205387 /nfs/dbraw/zinc/20/53/87/142205387.db2.gz LXJUTWFICPUTHF-ICSRJNTNSA-N 1 3 331.504 2.746 20 0 EFADHO COc1ccc(CN2CCC(OCC[NH+](C)C)CC2)c(C)c1OC ZINC000347787388 142272133 /nfs/dbraw/zinc/27/21/33/142272133.db2.gz RWZPDPZLZWDNNS-UHFFFAOYSA-N 1 3 336.476 2.555 20 0 EFADHO Cc1ccc([C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C2CCC2)o1 ZINC000349456119 142331751 /nfs/dbraw/zinc/33/17/51/142331751.db2.gz RMQFZFLYRPWNEV-SJLPKXTDSA-N 1 3 333.476 2.606 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349575698 142337960 /nfs/dbraw/zinc/33/79/60/142337960.db2.gz PATYXRJDJULZSN-QUCCMNQESA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349575698 142337962 /nfs/dbraw/zinc/33/79/62/142337962.db2.gz PATYXRJDJULZSN-QUCCMNQESA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349575697 142338060 /nfs/dbraw/zinc/33/80/60/142338060.db2.gz PATYXRJDJULZSN-ICSRJNTNSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349575697 142338061 /nfs/dbraw/zinc/33/80/61/142338061.db2.gz PATYXRJDJULZSN-ICSRJNTNSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349611326 142340097 /nfs/dbraw/zinc/34/00/97/142340097.db2.gz NSQISQJTDJESJM-KURKYZTESA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349611326 142340098 /nfs/dbraw/zinc/34/00/98/142340098.db2.gz NSQISQJTDJESJM-KURKYZTESA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000349611329 142340109 /nfs/dbraw/zinc/34/01/09/142340109.db2.gz NSQISQJTDJESJM-SQNIBIBYSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H](CCNC(=O)CN1[C@@H](C)CC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000349611329 142340111 /nfs/dbraw/zinc/34/01/11/142340111.db2.gz NSQISQJTDJESJM-SQNIBIBYSA-N 1 3 331.504 2.886 20 0 EFADHO CCCCC[N@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000349801072 142360683 /nfs/dbraw/zinc/36/06/83/142360683.db2.gz ODFRAJDOOZQBJT-UHFFFAOYSA-N 1 3 333.520 2.813 20 0 EFADHO CCCCC[N@@H+](CCO)Cc1ccccc1N1CCN(CC)CC1 ZINC000349801072 142360684 /nfs/dbraw/zinc/36/06/84/142360684.db2.gz ODFRAJDOOZQBJT-UHFFFAOYSA-N 1 3 333.520 2.813 20 0 EFADHO Cc1ccc(NC(=O)NCCC[NH+]2CCCC2)c(OCCN(C)C)c1 ZINC000349829286 142365159 /nfs/dbraw/zinc/36/51/59/142365159.db2.gz CMGHSQGPLCOQJY-UHFFFAOYSA-N 1 3 348.491 2.543 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H](C)c2nccs2)[C@H](C)C1 ZINC000349843675 142366163 /nfs/dbraw/zinc/36/61/63/142366163.db2.gz XPVPOIRWEZOXHF-OAGGEKHMSA-N 1 3 325.522 2.973 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H](C)c2nccs2)[C@H](C)C1 ZINC000349843675 142366164 /nfs/dbraw/zinc/36/61/64/142366164.db2.gz XPVPOIRWEZOXHF-OAGGEKHMSA-N 1 3 325.522 2.973 20 0 EFADHO C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000349868167 142370183 /nfs/dbraw/zinc/37/01/83/142370183.db2.gz LYRQUMCJAILEPF-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO C[NH+](C)CC1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000341179614 145006697 /nfs/dbraw/zinc/00/66/97/145006697.db2.gz CBAFTBNKMWOSCX-IBGZPJMESA-N 1 3 342.483 2.853 20 0 EFADHO CN1CCC(O)(C[NH2+]C2CC(c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000341268774 145023667 /nfs/dbraw/zinc/02/36/67/145023667.db2.gz GMGSBIVXAZZQGK-UHFFFAOYSA-N 1 3 342.405 2.998 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCN1C ZINC000341286328 145026194 /nfs/dbraw/zinc/02/61/94/145026194.db2.gz QYUXCCRKGZDBTO-OXQOHEQNSA-N 1 3 333.495 2.905 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341301996 145029393 /nfs/dbraw/zinc/02/93/93/145029393.db2.gz GICKMOFNCMNGSE-QGZVFWFLSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341301996 145029394 /nfs/dbraw/zinc/02/93/94/145029394.db2.gz GICKMOFNCMNGSE-QGZVFWFLSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318501 145032099 /nfs/dbraw/zinc/03/20/99/145032099.db2.gz FZRVPEUBVQCNFM-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318501 145032100 /nfs/dbraw/zinc/03/21/00/145032100.db2.gz FZRVPEUBVQCNFM-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318498 145032107 /nfs/dbraw/zinc/03/21/07/145032107.db2.gz FZRVPEUBVQCNFM-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318498 145032108 /nfs/dbraw/zinc/03/21/08/145032108.db2.gz FZRVPEUBVQCNFM-MJGOQNOKSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3cc[nH]n3)cc2)C[C@@H]1C ZINC000341326094 145033743 /nfs/dbraw/zinc/03/37/43/145033743.db2.gz VWWCFABFFUVFFM-IRXDYDNUSA-N 1 3 342.487 2.709 20 0 EFADHO C[C@H]1C[N@H+](CCOc2ccc(CCNCc3cc[nH]n3)cc2)C[C@H]1C ZINC000341326090 145033999 /nfs/dbraw/zinc/03/39/99/145033999.db2.gz VWWCFABFFUVFFM-CALCHBBNSA-N 1 3 342.487 2.709 20 0 EFADHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCc3cc[nH]n3)cc2)C[C@H]1C ZINC000341326090 145034001 /nfs/dbraw/zinc/03/40/01/145034001.db2.gz VWWCFABFFUVFFM-CALCHBBNSA-N 1 3 342.487 2.709 20 0 EFADHO FC(F)CN1CCC([NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000341344981 145036756 /nfs/dbraw/zinc/03/67/56/145036756.db2.gz KLCHLEOJUOQBNK-UHFFFAOYSA-N 1 3 329.479 2.960 20 0 EFADHO FC(F)CN1CCC(NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000341344981 145036757 /nfs/dbraw/zinc/03/67/57/145036757.db2.gz KLCHLEOJUOQBNK-UHFFFAOYSA-N 1 3 329.479 2.960 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@H]21 ZINC000342138626 145069058 /nfs/dbraw/zinc/06/90/58/145069058.db2.gz NNPJQIJWHCVJJQ-NUEKZKHPSA-N 1 3 346.862 2.992 20 0 EFADHO C[C@H](CCc1ccccc1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000342613278 145159668 /nfs/dbraw/zinc/15/96/68/145159668.db2.gz HLYLDSNGAMGGKT-GOSISDBHSA-N 1 3 345.531 2.645 20 0 EFADHO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000342692604 145173477 /nfs/dbraw/zinc/17/34/77/145173477.db2.gz ZYXPSWPKLAVVLW-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342700664 145174903 /nfs/dbraw/zinc/17/49/03/145174903.db2.gz XXMMTMRLJWVAHL-UMGGQSCQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342709693 145176845 /nfs/dbraw/zinc/17/68/45/145176845.db2.gz PCGUVAPFVSUDAN-KRWDZBQOSA-N 1 3 343.515 2.833 20 0 EFADHO CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@@H]1CCN(C2CC2)C1 ZINC000342754242 145185575 /nfs/dbraw/zinc/18/55/75/145185575.db2.gz QLRRXTHCHOCAAO-LJQANCHMSA-N 1 3 341.499 2.537 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342765258 145187937 /nfs/dbraw/zinc/18/79/37/145187937.db2.gz NBZSAJWJLFDAEY-JFRXWTBNSA-N 1 3 329.488 2.544 20 0 EFADHO Cc1ccc([C@@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C2CCCC2)o1 ZINC000342802170 145196553 /nfs/dbraw/zinc/19/65/53/145196553.db2.gz ITBQAEJLYAAYFO-HKUYNNGSSA-N 1 3 347.503 2.996 20 0 EFADHO O=C1CCCN1CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342873782 145212873 /nfs/dbraw/zinc/21/28/73/145212873.db2.gz XONAYKHZFZKQJF-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO O=C1CCCN1CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342873782 145212875 /nfs/dbraw/zinc/21/28/75/145212875.db2.gz XONAYKHZFZKQJF-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO COc1cncc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000343722598 145279633 /nfs/dbraw/zinc/27/96/33/145279633.db2.gz XCNHVIWYOSYMOR-UHFFFAOYSA-N 1 3 326.444 2.834 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343789851 145295593 /nfs/dbraw/zinc/29/55/93/145295593.db2.gz BPRLEEBDDKYMKO-YVSFHVDLSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@H]2C)C1 ZINC000343789851 145295595 /nfs/dbraw/zinc/29/55/95/145295595.db2.gz BPRLEEBDDKYMKO-YVSFHVDLSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343805100 145298744 /nfs/dbraw/zinc/29/87/44/145298744.db2.gz YDBXIKBZFKYLNJ-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCCN(C)[C@H]2C)C1 ZINC000343805100 145298746 /nfs/dbraw/zinc/29/87/46/145298746.db2.gz YDBXIKBZFKYLNJ-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000343826606 145303209 /nfs/dbraw/zinc/30/32/09/145303209.db2.gz DQSXRKBXTBPDAJ-SFNKJDCFSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000343826606 145303210 /nfs/dbraw/zinc/30/32/10/145303210.db2.gz DQSXRKBXTBPDAJ-SFNKJDCFSA-N 1 3 329.488 2.638 20 0 EFADHO COCC[NH+]1CCC(NCc2ccc(Br)c(C)c2)CC1 ZINC000343892916 145318510 /nfs/dbraw/zinc/31/85/10/145318510.db2.gz QAPXKFJDKNXJKM-UHFFFAOYSA-N 1 3 341.293 2.958 20 0 EFADHO CCC1(CC)[C@H](NCc2ccncc2OCC[NH+](C)C)C[C@@H]1OC ZINC000344091214 145366109 /nfs/dbraw/zinc/36/61/09/145366109.db2.gz QYQJDBZUOVKSQQ-MSOLQXFVSA-N 1 3 335.492 2.705 20 0 EFADHO CCC[N@H+](CCOc1ccc(F)cc1)CCN1CCN(CC)CC1 ZINC000344143854 145378154 /nfs/dbraw/zinc/37/81/54/145378154.db2.gz NWHPDEXMXUJQBH-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO CCC[N@@H+](CCOc1ccc(F)cc1)CCN1CCN(CC)CC1 ZINC000344143854 145378155 /nfs/dbraw/zinc/37/81/55/145378155.db2.gz NWHPDEXMXUJQBH-UHFFFAOYSA-N 1 3 337.483 2.554 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1cccc(COC)c1 ZINC000344162204 145382480 /nfs/dbraw/zinc/38/24/80/145382480.db2.gz IGWGHWAUUBFFTF-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1cccc(COC)c1 ZINC000344162204 145382481 /nfs/dbraw/zinc/38/24/81/145382481.db2.gz IGWGHWAUUBFFTF-UHFFFAOYSA-N 1 3 333.520 2.683 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000344214176 145394174 /nfs/dbraw/zinc/39/41/74/145394174.db2.gz PCXJKBSGBNQLQF-GOSISDBHSA-N 1 3 347.503 2.621 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)c1ccc(OCC[NH+](CC)CC)cc1 ZINC000344214177 145394238 /nfs/dbraw/zinc/39/42/38/145394238.db2.gz PCXJKBSGBNQLQF-SFHVURJKSA-N 1 3 347.503 2.621 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000347038753 145776745 /nfs/dbraw/zinc/77/67/45/145776745.db2.gz LDIUUQUPZOHYBR-OAHLLOKOSA-N 1 3 337.483 2.883 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348815290 146007197 /nfs/dbraw/zinc/00/71/97/146007197.db2.gz FJGOKNTVJJTUKM-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348866736 146016129 /nfs/dbraw/zinc/01/61/29/146016129.db2.gz HAPZQRKTILQVDB-FPOVZHCZSA-N 1 3 346.515 2.849 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(C)o2)CC1 ZINC000348892790 146021264 /nfs/dbraw/zinc/02/12/64/146021264.db2.gz JQLAYQGUQBYGOT-UHFFFAOYSA-N 1 3 335.492 2.648 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)N(CC)CC ZINC000348903238 146022290 /nfs/dbraw/zinc/02/22/90/146022290.db2.gz XICKKEXIKWWWSM-VAMGGRTRSA-N 1 3 343.515 2.697 20 0 EFADHO CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000349031696 146039753 /nfs/dbraw/zinc/03/97/53/146039753.db2.gz LQHWAKOSUFBBOV-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1ccc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000349031696 146039754 /nfs/dbraw/zinc/03/97/54/146039754.db2.gz LQHWAKOSUFBBOV-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2c(cccc2F)[nH]1 ZINC000349063871 146046442 /nfs/dbraw/zinc/04/64/42/146046442.db2.gz SAHGKALUZSRWRU-UHFFFAOYSA-N 1 3 332.467 2.765 20 0 EFADHO CCc1oc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000349192843 146064243 /nfs/dbraw/zinc/06/42/43/146064243.db2.gz PSYPMZOATFGMOU-OAHLLOKOSA-N 1 3 334.460 2.792 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351060383 146108845 /nfs/dbraw/zinc/10/88/45/146108845.db2.gz DOFRZAQBYHYJPG-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000351060383 146108847 /nfs/dbraw/zinc/10/88/47/146108847.db2.gz DOFRZAQBYHYJPG-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000351488140 146129946 /nfs/dbraw/zinc/12/99/46/146129946.db2.gz DTZWLSFNBHDJBS-TUKIKUTGSA-N 1 3 330.350 2.633 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]12 ZINC000351496415 146131669 /nfs/dbraw/zinc/13/16/69/146131669.db2.gz RRYFLTQVFURGET-BPLDGKMQSA-N 1 3 332.835 2.602 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000351608313 146158080 /nfs/dbraw/zinc/15/80/80/146158080.db2.gz ZHJBVBDWFRWFSS-CMKODMSKSA-N 1 3 332.488 2.730 20 0 EFADHO Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000351608313 146158082 /nfs/dbraw/zinc/15/80/82/146158082.db2.gz ZHJBVBDWFRWFSS-CMKODMSKSA-N 1 3 332.488 2.730 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000351734108 146190669 /nfs/dbraw/zinc/19/06/69/146190669.db2.gz MDCGLPHCJHMPGM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000351734108 146190671 /nfs/dbraw/zinc/19/06/71/146190671.db2.gz MDCGLPHCJHMPGM-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000351791127 146204307 /nfs/dbraw/zinc/20/43/07/146204307.db2.gz RDNVDVNJGASGTM-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000351858588 146219326 /nfs/dbraw/zinc/21/93/26/146219326.db2.gz BATGJAWGIGHNEU-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000351858592 146220172 /nfs/dbraw/zinc/22/01/72/146220172.db2.gz BATGJAWGIGHNEU-VXGBXAGGSA-N 1 3 329.366 2.703 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351975786 146253911 /nfs/dbraw/zinc/25/39/11/146253911.db2.gz ORCPJSIEQUWGAD-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000352076865 146283582 /nfs/dbraw/zinc/28/35/82/146283582.db2.gz LXHIUAVNPFYINA-APWZRJJASA-N 1 3 349.482 2.969 20 0 EFADHO C[C@@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000352086046 146286247 /nfs/dbraw/zinc/28/62/47/146286247.db2.gz YUCUZTWDYWZKGF-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352129999 146296820 /nfs/dbraw/zinc/29/68/20/146296820.db2.gz FCPABDMCGFFAMC-HOTGVXAUSA-N 1 3 345.487 2.979 20 0 EFADHO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000352823828 146324617 /nfs/dbraw/zinc/32/46/17/146324617.db2.gz OQNUGNQSHCXVOI-DNXIFWLFSA-N 1 3 340.414 2.738 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353111724 146398947 /nfs/dbraw/zinc/39/89/47/146398947.db2.gz MXSMOZHEZSPVHA-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353111724 146398949 /nfs/dbraw/zinc/39/89/49/146398949.db2.gz MXSMOZHEZSPVHA-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000355410636 146949894 /nfs/dbraw/zinc/94/98/94/146949894.db2.gz HXVQTIDNZBBMLM-HQRMLTQVSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000355607716 147011147 /nfs/dbraw/zinc/01/11/47/147011147.db2.gz ZTSDNYVFWDOBIA-GOSISDBHSA-N 1 3 332.492 2.581 20 0 EFADHO C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000355938981 147103979 /nfs/dbraw/zinc/10/39/79/147103979.db2.gz JDGLAGLLHYGSHO-SJLPKXTDSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000356057302 147135014 /nfs/dbraw/zinc/13/50/14/147135014.db2.gz IVWBBFVJOBVDIZ-NVXWUHKLSA-N 1 3 336.524 2.565 20 0 EFADHO CSC1(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000356219074 147179562 /nfs/dbraw/zinc/17/95/62/147179562.db2.gz GIGWMSAHYHOHQK-IRXDYDNUSA-N 1 3 325.566 2.763 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000356226566 147181371 /nfs/dbraw/zinc/18/13/71/147181371.db2.gz TWPPPNRZBMUOEQ-KZNAEPCWSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000356226566 147181372 /nfs/dbraw/zinc/18/13/72/147181372.db2.gz TWPPPNRZBMUOEQ-KZNAEPCWSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000356282193 147199239 /nfs/dbraw/zinc/19/92/39/147199239.db2.gz PIYGLUFMMXXNTK-WMZOPIPTSA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCN(CC[NH2+]CCc2ccc(F)cc2Cl)CC1(C)C ZINC000356289162 147202171 /nfs/dbraw/zinc/20/21/71/147202171.db2.gz AHAOEXGMPZHPKP-UHFFFAOYSA-N 1 3 327.875 2.637 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000356298431 147203939 /nfs/dbraw/zinc/20/39/39/147203939.db2.gz CMDXKNLAJCUQKS-QZTJIDSGSA-N 1 3 331.504 2.733 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000356448905 147247212 /nfs/dbraw/zinc/24/72/12/147247212.db2.gz UPUMOMMEWKLSIV-HXUWFJFHSA-N 1 3 337.552 2.685 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000356448905 147247213 /nfs/dbraw/zinc/24/72/13/147247213.db2.gz UPUMOMMEWKLSIV-HXUWFJFHSA-N 1 3 337.552 2.685 20 0 EFADHO C[N@H+]1CCCC[C@@H]1CCN1CCC(CCCN2CCOCC2)CC1 ZINC000356448905 147247215 /nfs/dbraw/zinc/24/72/15/147247215.db2.gz UPUMOMMEWKLSIV-HXUWFJFHSA-N 1 3 337.552 2.685 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H]3CCCOC3)cc2)CC1 ZINC000356895730 147366021 /nfs/dbraw/zinc/36/60/21/147366021.db2.gz KWOTVWJZERVSCI-NQIIRXRSSA-N 1 3 345.531 2.729 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000357383510 147509666 /nfs/dbraw/zinc/50/96/66/147509666.db2.gz CWAZZGVMOLVIRL-SJLPKXTDSA-N 1 3 347.503 2.620 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359361424 148065915 /nfs/dbraw/zinc/06/59/15/148065915.db2.gz NIGPZWKWQYYMNM-SFHVURJKSA-N 1 3 344.503 2.563 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359361424 148065918 /nfs/dbraw/zinc/06/59/18/148065918.db2.gz NIGPZWKWQYYMNM-SFHVURJKSA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1)C1CC1 ZINC000359366019 148067744 /nfs/dbraw/zinc/06/77/44/148067744.db2.gz XHBUSEQQPOKVNJ-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1)C1CC1 ZINC000359366019 148067746 /nfs/dbraw/zinc/06/77/46/148067746.db2.gz XHBUSEQQPOKVNJ-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000359369874 148068228 /nfs/dbraw/zinc/06/82/28/148068228.db2.gz LZMXZJHNWKKMCY-OALUTQOASA-N 1 3 339.568 2.978 20 0 EFADHO Cc1ccc([C@@H](NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000359369174 148068677 /nfs/dbraw/zinc/06/86/77/148068677.db2.gz GYNLZZCBFSEXAP-RTBURBONSA-N 1 3 329.488 2.623 20 0 EFADHO Cc1ccc([C@@H](NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CC2)cc1 ZINC000359369174 148068680 /nfs/dbraw/zinc/06/86/80/148068680.db2.gz GYNLZZCBFSEXAP-RTBURBONSA-N 1 3 329.488 2.623 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCCCC2)[C@@H](C)C1 ZINC000359684457 148161786 /nfs/dbraw/zinc/16/17/86/148161786.db2.gz YIEBOXXPSTUVMW-RBUKOAKNSA-N 1 3 325.541 2.589 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000359723821 148172070 /nfs/dbraw/zinc/17/20/70/148172070.db2.gz BNIYRLJICJHUPO-NXNFSMPISA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H](N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000359723821 148172072 /nfs/dbraw/zinc/17/20/72/148172072.db2.gz BNIYRLJICJHUPO-NXNFSMPISA-N 1 3 326.484 2.814 20 0 EFADHO OC[C@@H]1C=C[C@H]([NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)C1 ZINC000359723821 148172073 /nfs/dbraw/zinc/17/20/73/148172073.db2.gz BNIYRLJICJHUPO-NXNFSMPISA-N 1 3 326.484 2.814 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2cccn2)cc1 ZINC000359851354 148207326 /nfs/dbraw/zinc/20/73/26/148207326.db2.gz BIRFNVORRUWNTC-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000359894880 148217796 /nfs/dbraw/zinc/21/77/96/148217796.db2.gz GXDLQDIJPMFPIU-SESVDKBCSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000359894880 148217797 /nfs/dbraw/zinc/21/77/97/148217797.db2.gz GXDLQDIJPMFPIU-SESVDKBCSA-N 1 3 336.483 2.909 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCCc4cnccn4)[C@H]3C2)cc1 ZINC000359894880 148217799 /nfs/dbraw/zinc/21/77/99/148217799.db2.gz GXDLQDIJPMFPIU-SESVDKBCSA-N 1 3 336.483 2.909 20 0 EFADHO CCCN1CCC([NH2+]CC2(N3CCC(OC)CC3)CCCC2)CC1 ZINC000360239312 148307859 /nfs/dbraw/zinc/30/78/59/148307859.db2.gz QYARXAYXUGXSMH-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO CCC[N@H+](C)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360306540 148326687 /nfs/dbraw/zinc/32/66/87/148326687.db2.gz BQRNIILUGGFBST-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360306540 148326688 /nfs/dbraw/zinc/32/66/88/148326688.db2.gz BQRNIILUGGFBST-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000360306540 148326690 /nfs/dbraw/zinc/32/66/90/148326690.db2.gz BQRNIILUGGFBST-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360349342 148338159 /nfs/dbraw/zinc/33/81/59/148338159.db2.gz ZBNCKBMQOTWXQO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360349342 148338161 /nfs/dbraw/zinc/33/81/61/148338161.db2.gz ZBNCKBMQOTWXQO-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360349341 148338212 /nfs/dbraw/zinc/33/82/12/148338212.db2.gz ZBNCKBMQOTWXQO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360349341 148338214 /nfs/dbraw/zinc/33/82/14/148338214.db2.gz ZBNCKBMQOTWXQO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360547409 148389740 /nfs/dbraw/zinc/38/97/40/148389740.db2.gz RFNBNEIXDJPMAC-ADKAHSJRSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000360547409 148389743 /nfs/dbraw/zinc/38/97/43/148389743.db2.gz RFNBNEIXDJPMAC-ADKAHSJRSA-N 1 3 338.540 2.623 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)[C@@H](C)C1 ZINC000361973752 286063632 /nfs/dbraw/zinc/06/36/32/286063632.db2.gz YMRNLEPGDRYOTP-MANSERQUSA-N 1 3 325.541 2.586 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCCCC2)[C@H](C)C1 ZINC000123970855 286062327 /nfs/dbraw/zinc/06/23/27/286062327.db2.gz YIEBOXXPSTUVMW-MOPGFXCFSA-N 1 3 325.541 2.589 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000363791935 149013181 /nfs/dbraw/zinc/01/31/81/149013181.db2.gz LIXVVNHLBKCKAF-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000363791935 149013182 /nfs/dbraw/zinc/01/31/82/149013182.db2.gz LIXVVNHLBKCKAF-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](c1cnccn1)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000363834863 149018101 /nfs/dbraw/zinc/01/81/01/149018101.db2.gz ZDBYAUAGRXJZPG-QGZVFWFLSA-N 1 3 345.535 2.666 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000364129594 149074500 /nfs/dbraw/zinc/07/45/00/149074500.db2.gz YDTVBTPMWJPZII-SFHVURJKSA-N 1 3 347.478 2.640 20 0 EFADHO CN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000364647264 149207412 /nfs/dbraw/zinc/20/74/12/149207412.db2.gz PMQNCEJQYSHIFX-IEBWSBKVSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000364647267 149207794 /nfs/dbraw/zinc/20/77/94/149207794.db2.gz PMQNCEJQYSHIFX-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C=Cn1cc(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000365117778 149321226 /nfs/dbraw/zinc/32/12/26/149321226.db2.gz RLVLOMZASKHATI-UHFFFAOYSA-N 1 3 345.535 2.612 20 0 EFADHO CCC[C@]1(CO)CCN(C/C=C/C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367982809 150001991 /nfs/dbraw/zinc/00/19/91/150001991.db2.gz LDXMZKXABVYPCF-KJBZUCPPSA-N 1 3 338.536 2.512 20 0 EFADHO CCC[C@]1(CO)CCN(C/C=C/C[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367982809 150001994 /nfs/dbraw/zinc/00/19/94/150001994.db2.gz LDXMZKXABVYPCF-KJBZUCPPSA-N 1 3 338.536 2.512 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)C34CCCN3CCC4)CC2)CC1 ZINC000368163608 150054367 /nfs/dbraw/zinc/05/43/67/150054367.db2.gz XLPRRCUFXMTGHD-UHFFFAOYSA-N 1 3 333.520 2.774 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCCCC(=O)OC(C)(C)C ZINC000368356688 150101599 /nfs/dbraw/zinc/10/15/99/150101599.db2.gz CVIMOMJXSGWUGO-BRWVUGGUSA-N 1 3 340.508 2.682 20 0 EFADHO CN(CCC[NH+]1CCCC1)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368480477 150127543 /nfs/dbraw/zinc/12/75/43/150127543.db2.gz BJSZWDKFMGMGDA-GOSISDBHSA-N 1 3 329.488 2.566 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000369016462 150258577 /nfs/dbraw/zinc/25/85/77/150258577.db2.gz ODZYHQVYLHDXDZ-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CCC[C@](C)(O)CC1)C1CCN(C)CC1 ZINC000369556230 150388078 /nfs/dbraw/zinc/38/80/78/150388078.db2.gz KEKVJKHGNSAKHC-NRFANRHFSA-N 1 3 345.531 2.954 20 0 EFADHO CN(c1ccccc1C[N@H+]1CCC[C@](C)(O)CC1)C1CCN(C)CC1 ZINC000369556230 150388083 /nfs/dbraw/zinc/38/80/83/150388083.db2.gz KEKVJKHGNSAKHC-NRFANRHFSA-N 1 3 345.531 2.954 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374289483 151316206 /nfs/dbraw/zinc/31/62/06/151316206.db2.gz XKANJGABBXMYSU-PXNSSMCTSA-N 1 3 330.520 2.723 20 0 EFADHO C[C@@H]1COCCN(Cc2ccc(C[N@@H+]3CCOC[C@@H](C)C3)cc2)C1 ZINC000374366426 151332954 /nfs/dbraw/zinc/33/29/54/151332954.db2.gz NRSWNMVFJARLIW-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@@H]1COCCN(Cc2ccc(C[N@H+]3CCOC[C@@H](C)C3)cc2)C1 ZINC000374366426 151332959 /nfs/dbraw/zinc/33/29/59/151332959.db2.gz NRSWNMVFJARLIW-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO Cc1ccc([C@H](NC(=O)CN2CCC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443059339 292258216 /nfs/dbraw/zinc/25/82/16/292258216.db2.gz MNHDHTQPOJCOQG-JXFKEZNVSA-N 1 3 329.488 2.623 20 0 EFADHO C[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320552 152056826 /nfs/dbraw/zinc/05/68/26/152056826.db2.gz QDVWOWCHJHZEMR-XLIONFOSSA-N 1 3 349.494 2.552 20 0 EFADHO C[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378320551 152057186 /nfs/dbraw/zinc/05/71/86/152057186.db2.gz QDVWOWCHJHZEMR-PXNSSMCTSA-N 1 3 349.494 2.552 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000423296839 286372790 /nfs/dbraw/zinc/37/27/90/286372790.db2.gz HQMQWXUDUYAHDG-SNRMKQJTSA-N 1 3 347.503 2.568 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCN(C)C[C@H]2C)N2CCCC2)cc1 ZINC000156647546 286373108 /nfs/dbraw/zinc/37/31/08/286373108.db2.gz AXNSWZGZHPSGCX-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000156647546 286373109 /nfs/dbraw/zinc/37/31/09/286373109.db2.gz AXNSWZGZHPSGCX-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)N2CCCC2)cc1 ZINC000156647546 286373110 /nfs/dbraw/zinc/37/31/10/286373110.db2.gz AXNSWZGZHPSGCX-UXPWSPDFSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636617 286373144 /nfs/dbraw/zinc/37/31/44/286373144.db2.gz MYSHLWFWVVDFPE-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636617 286373145 /nfs/dbraw/zinc/37/31/45/286373145.db2.gz MYSHLWFWVVDFPE-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)cc1 ZINC000156636617 286373146 /nfs/dbraw/zinc/37/31/46/286373146.db2.gz MYSHLWFWVVDFPE-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000423023090 298391860 /nfs/dbraw/zinc/39/18/60/298391860.db2.gz IXJYXHLRDYNRBD-JLSDUUJJSA-N 1 3 339.911 2.819 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351975787 287007935 /nfs/dbraw/zinc/00/79/35/287007935.db2.gz ORCPJSIEQUWGAD-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414179278 287107215 /nfs/dbraw/zinc/10/72/15/287107215.db2.gz AFZABTWYTDSLBK-OTWHNJEPSA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000337354700 287265901 /nfs/dbraw/zinc/26/59/01/287265901.db2.gz DFEYVDDSFWTOAV-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCN1CCC[C@H](C)C1 ZINC000337354700 287265902 /nfs/dbraw/zinc/26/59/02/287265902.db2.gz DFEYVDDSFWTOAV-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434354858 287267806 /nfs/dbraw/zinc/26/78/06/287267806.db2.gz LBDQZUXBSZUBSJ-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434354858 287267809 /nfs/dbraw/zinc/26/78/09/287267809.db2.gz LBDQZUXBSZUBSJ-SJLPKXTDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359219277 287271895 /nfs/dbraw/zinc/27/18/95/287271895.db2.gz DYOLIWSQHFFDAN-SQNIBIBYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000359219277 287271900 /nfs/dbraw/zinc/27/19/00/287271900.db2.gz DYOLIWSQHFFDAN-SQNIBIBYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359219269 287271780 /nfs/dbraw/zinc/27/17/80/287271780.db2.gz DYOLIWSQHFFDAN-FGTMMUONSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000359219269 287271783 /nfs/dbraw/zinc/27/17/83/287271783.db2.gz DYOLIWSQHFFDAN-FGTMMUONSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CCCN(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422860544 287353960 /nfs/dbraw/zinc/35/39/60/287353960.db2.gz LNGANPOEXMLJOH-IMFGXOCKSA-N 1 3 329.488 2.564 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cscc1C ZINC000123598855 222303714 /nfs/dbraw/zinc/30/37/14/222303714.db2.gz OYGKOIFDHGEQNE-OAHLLOKOSA-N 1 3 338.521 2.936 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cscc1C ZINC000123598855 222303715 /nfs/dbraw/zinc/30/37/15/222303715.db2.gz OYGKOIFDHGEQNE-OAHLLOKOSA-N 1 3 338.521 2.936 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC(n3ccnc3)CC2)cc1 ZINC000092648403 544549134 /nfs/dbraw/zinc/54/91/34/544549134.db2.gz PFLHOIUUAIYYAF-UHFFFAOYSA-N 1 3 328.460 2.661 20 0 EFADHO C[C@@H](N[C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000089584732 544525311 /nfs/dbraw/zinc/52/53/11/544525311.db2.gz MFVVWARSPHMDHG-CZUORRHYSA-N 1 3 335.879 2.765 20 0 EFADHO CN(C)CCOc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093659924 544555189 /nfs/dbraw/zinc/55/51/89/544555189.db2.gz LMQSGUOWYXUQCP-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CN(C)CCOc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093659924 544555193 /nfs/dbraw/zinc/55/51/93/544555193.db2.gz LMQSGUOWYXUQCP-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000131175511 544660776 /nfs/dbraw/zinc/66/07/76/544660776.db2.gz WRUSRHRJJJIMSB-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 ZINC000155089961 544753476 /nfs/dbraw/zinc/75/34/76/544753476.db2.gz GZJHEHZWPDQETF-LJQANCHMSA-N 1 3 344.547 2.661 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(CCCOCC)C[C@@H]2C)CC1 ZINC000161608991 544816076 /nfs/dbraw/zinc/81/60/76/544816076.db2.gz UTMZCGFJTNMGJJ-HKUYNNGSSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000158936678 544790374 /nfs/dbraw/zinc/79/03/74/544790374.db2.gz JBAUGUNAHWMNNA-QGZVFWFLSA-N 1 3 347.503 2.747 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178034556 544900392 /nfs/dbraw/zinc/90/03/92/544900392.db2.gz JTSSUXXXPGYNEP-PBHICJAKSA-N 1 3 337.508 2.978 20 0 EFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000186599793 265073075 /nfs/dbraw/zinc/07/30/75/265073075.db2.gz NEXSBDCFLAXAQQ-CABCVRRESA-N 1 3 336.549 2.699 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000188713117 265149449 /nfs/dbraw/zinc/14/94/49/265149449.db2.gz MATUSYAVGCNWIV-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000190204873 265214476 /nfs/dbraw/zinc/21/44/76/265214476.db2.gz SJYSBEPXYYDXII-LPHOPBHVSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000190204873 265214479 /nfs/dbraw/zinc/21/44/79/265214479.db2.gz SJYSBEPXYYDXII-LPHOPBHVSA-N 1 3 339.524 2.907 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495635 265265531 /nfs/dbraw/zinc/26/55/31/265265531.db2.gz QHEZFCNIGYYVKJ-CRAIPNDOSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@@H]1CCN(CCOCC[N@@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192187785 265287741 /nfs/dbraw/zinc/28/77/41/265287741.db2.gz JJQIOOAVLZIAEV-IYBDPMFKSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@@H]1CCN(CCOCC[N@H+]2CCS[C@@H](C)CC2)CCS1 ZINC000192187785 265287744 /nfs/dbraw/zinc/28/77/44/265287744.db2.gz JJQIOOAVLZIAEV-IYBDPMFKSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@@H]1CC[N@H+](CCOCCN2CCS[C@@H](C)CC2)CCS1 ZINC000192187785 265287748 /nfs/dbraw/zinc/28/77/48/265287748.db2.gz JJQIOOAVLZIAEV-IYBDPMFKSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@@H]1CC[N@@H+](CCOCCN2CCS[C@@H](C)CC2)CCS1 ZINC000192187785 265287752 /nfs/dbraw/zinc/28/77/52/265287752.db2.gz JJQIOOAVLZIAEV-IYBDPMFKSA-N 1 3 332.579 2.658 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000192845558 265309636 /nfs/dbraw/zinc/30/96/36/265309636.db2.gz FMQPNJABELBGEH-IBGZPJMESA-N 1 3 331.504 2.775 20 0 EFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000237202114 265452442 /nfs/dbraw/zinc/45/24/42/265452442.db2.gz YSWQTEVYNYQCRY-MOPGFXCFSA-N 1 3 347.503 2.541 20 0 EFADHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC000237755722 265463719 /nfs/dbraw/zinc/46/37/19/265463719.db2.gz XVJSFLPRPSJTAJ-QGZVFWFLSA-N 1 3 347.478 2.816 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000083522117 272991160 /nfs/dbraw/zinc/99/11/60/272991160.db2.gz XMOIFMIRFNWIKF-HZPDHXFCSA-N 1 3 325.497 2.848 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000270988394 265869587 /nfs/dbraw/zinc/86/95/87/265869587.db2.gz DRXDPSZVOSRHSK-MSOLQXFVSA-N 1 3 349.544 2.646 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2c(C3CC3)nc3sccn23)CC1 ZINC000271675261 266039139 /nfs/dbraw/zinc/03/91/39/266039139.db2.gz OAIOYHHBKVSTBJ-UHFFFAOYSA-N 1 3 348.516 2.598 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000271857084 266079596 /nfs/dbraw/zinc/07/95/96/266079596.db2.gz JLWWYDICRLKHEV-PMACEKPBSA-N 1 3 346.515 2.937 20 0 EFADHO CN1CC=C(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000271863455 266082952 /nfs/dbraw/zinc/08/29/52/266082952.db2.gz KWUNXKMBBTVPFT-UHFFFAOYSA-N 1 3 331.479 2.684 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1Cn1cccn1 ZINC000271917313 266096182 /nfs/dbraw/zinc/09/61/82/266096182.db2.gz ZFHAFMWZKDXKCQ-MRXNPFEDSA-N 1 3 340.471 2.853 20 0 EFADHO CCC[C@@](C)(N)C(=O)NCc1ccccc1OCC[NH+](CC)CC ZINC000272344558 266235038 /nfs/dbraw/zinc/23/50/38/266235038.db2.gz PMZIBDFOGUQAFO-LJQANCHMSA-N 1 3 335.492 2.541 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000272442824 266266743 /nfs/dbraw/zinc/26/67/43/266266743.db2.gz LGOOXBXCRYUZFL-BEFAXECRSA-N 1 3 333.476 2.863 20 0 EFADHO CCC[C@](C)(N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000272442824 266266745 /nfs/dbraw/zinc/26/67/45/266266745.db2.gz LGOOXBXCRYUZFL-BEFAXECRSA-N 1 3 333.476 2.863 20 0 EFADHO C[C@H](CC(=O)OC(C)(C)C)NCc1cccc(OCC[NH+](C)C)c1 ZINC000272502917 266286412 /nfs/dbraw/zinc/28/64/12/266286412.db2.gz LNIAJWKXFMMNGX-OAHLLOKOSA-N 1 3 336.476 2.837 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272543314 266301686 /nfs/dbraw/zinc/30/16/86/266301686.db2.gz PQWCXQMFWBLPKB-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000272629318 266331379 /nfs/dbraw/zinc/33/13/79/266331379.db2.gz BEFJNKRMNMRSQJ-INIZCTEOSA-N 1 3 329.488 2.909 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCOCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272789683 266382816 /nfs/dbraw/zinc/38/28/16/266382816.db2.gz CFYHAZUOGYUAMH-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCOCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272789683 266382817 /nfs/dbraw/zinc/38/28/17/266382817.db2.gz CFYHAZUOGYUAMH-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000276175088 266936889 /nfs/dbraw/zinc/93/68/89/266936889.db2.gz WHGFUURTRRIDAY-SFHVURJKSA-N 1 3 334.508 2.663 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000276966386 267087298 /nfs/dbraw/zinc/08/72/98/267087298.db2.gz NQNFGYISLNKSPF-GOSISDBHSA-N 1 3 348.535 2.766 20 0 EFADHO COCCN(C)c1ccc(CNCCCC[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000276966386 267087299 /nfs/dbraw/zinc/08/72/99/267087299.db2.gz NQNFGYISLNKSPF-GOSISDBHSA-N 1 3 348.535 2.766 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000277236101 267135256 /nfs/dbraw/zinc/13/52/56/267135256.db2.gz JWVMFYQJFOKVJJ-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000110633257 273013325 /nfs/dbraw/zinc/01/33/25/273013325.db2.gz RAIYKUYWFFIHLO-SFHVURJKSA-N 1 3 335.492 2.932 20 0 EFADHO C[C@@H]1CN(CCC[NH2+]C2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000277637748 267218844 /nfs/dbraw/zinc/21/88/44/267218844.db2.gz CSIWXXIPVLGGHB-LJQANCHMSA-N 1 3 345.531 2.742 20 0 EFADHO CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000277887796 267289897 /nfs/dbraw/zinc/28/98/97/267289897.db2.gz ZOKAPFOVDLURHR-QHAWAJNXSA-N 1 3 346.515 2.760 20 0 EFADHO CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000277887796 267289899 /nfs/dbraw/zinc/28/98/99/267289899.db2.gz ZOKAPFOVDLURHR-QHAWAJNXSA-N 1 3 346.515 2.760 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000278306452 267396719 /nfs/dbraw/zinc/39/67/19/267396719.db2.gz AUCHAJGJUWTFFV-UHFFFAOYSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCCN1CCCC1 ZINC000173343898 273024675 /nfs/dbraw/zinc/02/46/75/273024675.db2.gz QARZVJVQMUWTPI-HZPDHXFCSA-N 1 3 325.497 2.755 20 0 EFADHO CN(CCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000175633218 273030036 /nfs/dbraw/zinc/03/00/36/273030036.db2.gz GSTYFAFDZIFEDL-RBUKOAKNSA-N 1 3 346.519 2.681 20 0 EFADHO CN(CCCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000175633242 273030057 /nfs/dbraw/zinc/03/00/57/273030057.db2.gz GSTYFAFDZIFEDL-OALUTQOASA-N 1 3 346.519 2.681 20 0 EFADHO CN(CCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000175633290 273030084 /nfs/dbraw/zinc/03/00/84/273030084.db2.gz GSTYFAFDZIFEDL-MOPGFXCFSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000177553152 273037711 /nfs/dbraw/zinc/03/77/11/273037711.db2.gz SENNKEPMJNBLBF-INIZCTEOSA-N 1 3 339.524 2.955 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000269478860 273081004 /nfs/dbraw/zinc/08/10/04/273081004.db2.gz ZLYNLGFCDPQWCF-FPOVZHCZSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc(OCCN(C)C)cc1 ZINC000271540843 273104742 /nfs/dbraw/zinc/10/47/42/273104742.db2.gz SQNQPWMPVKHDQE-HNNXBMFYSA-N 1 3 347.434 2.891 20 0 EFADHO C[C@H](NCCOc1ncccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271540843 273104743 /nfs/dbraw/zinc/10/47/43/273104743.db2.gz SQNQPWMPVKHDQE-HNNXBMFYSA-N 1 3 347.434 2.891 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000271565801 273105493 /nfs/dbraw/zinc/10/54/93/273105493.db2.gz XSNTXBUQIDZODR-BEVDRBHNSA-N 1 3 331.504 2.781 20 0 EFADHO COc1ccccc1[C@@H]([NH2+]CC1(O)CCN(C)CC1)C1CCCC1 ZINC000271703051 273106821 /nfs/dbraw/zinc/10/68/21/273106821.db2.gz LTPSJWFFRASTRR-IBGZPJMESA-N 1 3 332.488 2.973 20 0 EFADHO C[C@@H]([NH2+]CCN1CCOCC1(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274970312 273136498 /nfs/dbraw/zinc/13/64/98/273136498.db2.gz XYZQCJZDVKWNQK-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274970312 273136499 /nfs/dbraw/zinc/13/64/99/273136499.db2.gz XYZQCJZDVKWNQK-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H](NCCN1CCOCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274970312 273136500 /nfs/dbraw/zinc/13/65/00/273136500.db2.gz XYZQCJZDVKWNQK-UYAOXDASSA-N 1 3 345.531 2.597 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000277083079 273146507 /nfs/dbraw/zinc/14/65/07/273146507.db2.gz FKHKAECPPJWONE-SFHLNBCPSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000277083079 273146508 /nfs/dbraw/zinc/14/65/08/273146508.db2.gz FKHKAECPPJWONE-SFHLNBCPSA-N 1 3 346.515 2.858 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279004384 273165581 /nfs/dbraw/zinc/16/55/81/273165581.db2.gz GZVKAWZAGJKDCW-ICSRJNTNSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279004384 273165582 /nfs/dbraw/zinc/16/55/82/273165582.db2.gz GZVKAWZAGJKDCW-ICSRJNTNSA-N 1 3 341.499 2.594 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)c(=O)n1C ZINC000279636042 273236663 /nfs/dbraw/zinc/23/66/63/273236663.db2.gz ZRCXYOWCTXFHTC-PXNSSMCTSA-N 1 3 339.483 2.694 20 0 EFADHO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OCCN(C)C)c2)[C@@H]1C ZINC000279784005 273253099 /nfs/dbraw/zinc/25/30/99/273253099.db2.gz CGOXSFZIMWCALE-HHXXYDBFSA-N 1 3 348.487 2.694 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@H+](CCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280459829 273330440 /nfs/dbraw/zinc/33/04/40/273330440.db2.gz OHZZOBRJPMEZLA-HSALFYBXSA-N 1 3 330.472 2.593 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@@H+](CCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280459829 273330441 /nfs/dbraw/zinc/33/04/41/273330441.db2.gz OHZZOBRJPMEZLA-HSALFYBXSA-N 1 3 330.472 2.593 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)N(C)C)cc1 ZINC000280894149 273378545 /nfs/dbraw/zinc/37/85/45/273378545.db2.gz BCOMMIJAJSXYBQ-IBGZPJMESA-N 1 3 346.519 2.725 20 0 EFADHO COCCCN1CCC([NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000280929954 273382590 /nfs/dbraw/zinc/38/25/90/273382590.db2.gz QGORPMOPISWAFH-UHFFFAOYSA-N 1 3 342.487 2.771 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000280933554 273383008 /nfs/dbraw/zinc/38/30/08/273383008.db2.gz IIMQWJNTBYLMRP-SJLPKXTDSA-N 1 3 347.503 2.536 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000281995465 273499367 /nfs/dbraw/zinc/49/93/67/273499367.db2.gz CRFPLVOWUHMLJE-AZUAARDMSA-N 1 3 334.504 2.964 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000283784836 273758975 /nfs/dbraw/zinc/75/89/75/273758975.db2.gz RXZZLPHQFIQJTE-CJNGLKHVSA-N 1 3 340.899 2.582 20 0 EFADHO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000284273663 273817643 /nfs/dbraw/zinc/81/76/43/273817643.db2.gz HAHGNXPEARAYPN-KRWDZBQOSA-N 1 3 342.487 2.925 20 0 EFADHO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000285466321 274004988 /nfs/dbraw/zinc/00/49/88/274004988.db2.gz KCCIZHOLJCAZJY-QZTJIDSGSA-N 1 3 345.531 2.979 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000353403437 274037770 /nfs/dbraw/zinc/03/77/70/274037770.db2.gz KSNXVEVGJXFENW-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353403437 274037772 /nfs/dbraw/zinc/03/77/72/274037772.db2.gz KSNXVEVGJXFENW-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353403437 274037773 /nfs/dbraw/zinc/03/77/73/274037773.db2.gz KSNXVEVGJXFENW-PWRODBHTSA-N 1 3 346.515 2.930 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000286017833 274118091 /nfs/dbraw/zinc/11/80/91/274118091.db2.gz JQFHSSKHUZGNFG-LJQANCHMSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286064802 274126320 /nfs/dbraw/zinc/12/63/20/274126320.db2.gz LPGANZPMNOTZCG-LSDHHAIUSA-N 1 3 331.460 2.790 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)OC ZINC000286094420 274132346 /nfs/dbraw/zinc/13/23/46/274132346.db2.gz MGPDGEVOEIWZGY-IVAOSVALSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000286094420 274132347 /nfs/dbraw/zinc/13/23/47/274132347.db2.gz MGPDGEVOEIWZGY-IVAOSVALSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000286094420 274132348 /nfs/dbraw/zinc/13/23/48/274132348.db2.gz MGPDGEVOEIWZGY-IVAOSVALSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000286096296 274132671 /nfs/dbraw/zinc/13/26/71/274132671.db2.gz NAOULLXATZIZDW-XSDIEEQYSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286096296 274132672 /nfs/dbraw/zinc/13/26/72/274132672.db2.gz NAOULLXATZIZDW-XSDIEEQYSA-N 1 3 346.515 2.664 20 0 EFADHO COC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000286096296 274132673 /nfs/dbraw/zinc/13/26/73/274132673.db2.gz NAOULLXATZIZDW-XSDIEEQYSA-N 1 3 346.515 2.664 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000286185597 274149772 /nfs/dbraw/zinc/14/97/72/274149772.db2.gz ROHJKDWMSYRUED-WMLDXEAASA-N 1 3 335.492 2.581 20 0 EFADHO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000286268077 274165941 /nfs/dbraw/zinc/16/59/41/274165941.db2.gz TYCVJKZJLIKJCC-RCCFBDPRSA-N 1 3 349.544 2.669 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@H+](C)C1CC1 ZINC000105129828 274221998 /nfs/dbraw/zinc/22/19/98/274221998.db2.gz LNEVTHSGRLVTFM-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[N@@H+](C)C1CC1 ZINC000105129828 274221999 /nfs/dbraw/zinc/22/19/99/274221999.db2.gz LNEVTHSGRLVTFM-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286943763 274306385 /nfs/dbraw/zinc/30/63/85/274306385.db2.gz FHLMHMLNBDVCKN-PXNSSMCTSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000287276361 274383618 /nfs/dbraw/zinc/38/36/18/274383618.db2.gz YHHIHRZOOIHBKN-INIZCTEOSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1CCN(C)C ZINC000287345271 274399791 /nfs/dbraw/zinc/39/97/91/274399791.db2.gz PNWAQDSBTOGXAH-AEFFLSMTSA-N 1 3 344.503 2.881 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287539381 274442370 /nfs/dbraw/zinc/44/23/70/274442370.db2.gz DZTJMBSKHGUNJZ-GDBMZVCRSA-N 1 3 346.393 2.827 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1NCCc2ccccc21)[NH+]1CCCCC1 ZINC000262356738 275978696 /nfs/dbraw/zinc/97/86/96/275978696.db2.gz JRJBZFUWMYHTDX-MOPGFXCFSA-N 1 3 329.488 2.500 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000353472535 276035051 /nfs/dbraw/zinc/03/50/51/276035051.db2.gz PWSYNPSGGIXQLV-UYAOXDASSA-N 1 3 331.504 2.703 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000418342637 276056380 /nfs/dbraw/zinc/05/63/80/276056380.db2.gz FGWRROOQVCTGTF-ZWKOTPCHSA-N 1 3 332.492 2.627 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000418342492 276056448 /nfs/dbraw/zinc/05/64/48/276056448.db2.gz DYLVPCBMFHZNHE-SFHVURJKSA-N 1 3 346.519 2.983 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)C2(N)Cc3ccccc3C2)c1 ZINC000370782511 276110404 /nfs/dbraw/zinc/11/04/04/276110404.db2.gz UCGDZAASUNDBFT-UHFFFAOYSA-N 1 3 337.467 2.963 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341333016 276156813 /nfs/dbraw/zinc/15/68/13/276156813.db2.gz YHCPXYZITFGBKV-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000341333016 276156816 /nfs/dbraw/zinc/15/68/16/276156816.db2.gz YHCPXYZITFGBKV-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000365372448 276190358 /nfs/dbraw/zinc/19/03/58/276190358.db2.gz XSXNLLRJQJDRKJ-JWHDQAAXSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000365372448 276190360 /nfs/dbraw/zinc/19/03/60/276190360.db2.gz XSXNLLRJQJDRKJ-JWHDQAAXSA-N 1 3 348.535 2.519 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000154310503 276195523 /nfs/dbraw/zinc/19/55/23/276195523.db2.gz QBJSPQFUZJAHLS-IBGZPJMESA-N 1 3 333.545 2.634 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000353382748 276197133 /nfs/dbraw/zinc/19/71/33/276197133.db2.gz IOGPSPRPCSAGKR-DLBZAZTESA-N 1 3 326.488 2.911 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@H]1C ZINC000362501784 276213749 /nfs/dbraw/zinc/21/37/49/276213749.db2.gz HXZDYXALIBBCPF-NVXWUHKLSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@H]1C ZINC000362501784 276213750 /nfs/dbraw/zinc/21/37/50/276213750.db2.gz HXZDYXALIBBCPF-NVXWUHKLSA-N 1 3 333.476 2.828 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204727 276285271 /nfs/dbraw/zinc/28/52/71/276285271.db2.gz NOFRXYNVBXIZPT-AZUAARDMSA-N 1 3 329.488 2.629 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204727 276285272 /nfs/dbraw/zinc/28/52/72/276285272.db2.gz NOFRXYNVBXIZPT-AZUAARDMSA-N 1 3 329.488 2.629 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000361354256 276325231 /nfs/dbraw/zinc/32/52/31/276325231.db2.gz JUIUTCUDTYRIMD-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246789278 276361565 /nfs/dbraw/zinc/36/15/65/276361565.db2.gz MFCSICCHLGEKOH-VQIMIIECSA-N 1 3 344.503 2.598 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000123427637 276370629 /nfs/dbraw/zinc/37/06/29/276370629.db2.gz SZMQYHYKJNZJAC-HXUWFJFHSA-N 1 3 344.547 2.745 20 0 EFADHO CCN1CCN(c2ccccc2CN(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000123427637 276370630 /nfs/dbraw/zinc/37/06/30/276370630.db2.gz SZMQYHYKJNZJAC-HXUWFJFHSA-N 1 3 344.547 2.745 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000416839453 276670381 /nfs/dbraw/zinc/67/03/81/276670381.db2.gz KABBIGJRJBYCME-UYAOXDASSA-N 1 3 346.519 2.541 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336712368 277061726 /nfs/dbraw/zinc/06/17/26/277061726.db2.gz NTLJOQDUWKAJFV-PCCBWWKXSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336712368 277061728 /nfs/dbraw/zinc/06/17/28/277061728.db2.gz NTLJOQDUWKAJFV-PCCBWWKXSA-N 1 3 327.516 2.925 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)CC1 ZINC000423301589 277383521 /nfs/dbraw/zinc/38/35/21/277383521.db2.gz HVTSXPDVOPJRAH-SFHVURJKSA-N 1 3 331.504 2.949 20 0 EFADHO COC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000178699314 277596708 /nfs/dbraw/zinc/59/67/08/277596708.db2.gz WKHLWUGYLQEVRL-FQEVSTJZSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]([NH3+])c1ccc(CN[C@H](C)Cn2cc(Br)cn2)cc1 ZINC000414812481 277602052 /nfs/dbraw/zinc/60/20/52/277602052.db2.gz RIYCPASQYRHPMO-VXGBXAGGSA-N 1 3 337.265 2.844 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCC1 ZINC000354598904 277866965 /nfs/dbraw/zinc/86/69/65/277866965.db2.gz LCPAYPDJJXYKDX-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000418341420 278049701 /nfs/dbraw/zinc/04/97/01/278049701.db2.gz DFTNXZYYIWTKJJ-KSZLIROESA-N 1 3 332.492 2.627 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000418341422 278049744 /nfs/dbraw/zinc/04/97/44/278049744.db2.gz DFTNXZYYIWTKJJ-KURKYZTESA-N 1 3 332.492 2.627 20 0 EFADHO C[C@H](CC(=O)NCCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000127075926 278163306 /nfs/dbraw/zinc/16/33/06/278163306.db2.gz LZPBCEJEMQXKLN-IEBWSBKVSA-N 1 3 331.504 2.651 20 0 EFADHO C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120641111 278206982 /nfs/dbraw/zinc/20/69/82/278206982.db2.gz YNQKEZCULIQHIW-KSZLIROESA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H](C(=O)NCCCN1CCc2ccccc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120641111 278206983 /nfs/dbraw/zinc/20/69/83/278206983.db2.gz YNQKEZCULIQHIW-KSZLIROESA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267254126 278253761 /nfs/dbraw/zinc/25/37/61/278253761.db2.gz OVBPSUBKPVJFHW-UWJYYQICSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353411964 278311384 /nfs/dbraw/zinc/31/13/84/278311384.db2.gz IIJYMSAQSIFIPL-MJGOQNOKSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN1CCc2sccc2C1 ZINC000422739980 278311834 /nfs/dbraw/zinc/31/18/34/278311834.db2.gz MMZSLJBMEHXYKM-CRAIPNDOSA-N 1 3 329.513 2.654 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422861884 278315711 /nfs/dbraw/zinc/31/57/11/278315711.db2.gz NCANFVRWQOJOFM-UZLBHIALSA-N 1 3 337.467 2.862 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000237520189 278334230 /nfs/dbraw/zinc/33/42/30/278334230.db2.gz VDEHWQFQVRGJDA-LPHOPBHVSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCCN1 ZINC000237520189 278334234 /nfs/dbraw/zinc/33/42/34/278334234.db2.gz VDEHWQFQVRGJDA-LPHOPBHVSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000418501759 278534219 /nfs/dbraw/zinc/53/42/19/278534219.db2.gz SGQUXOLZGPMIKA-MDASCCDHSA-N 1 3 340.471 2.608 20 0 EFADHO CC(C)(C)c1nc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cs1 ZINC000423027003 278570858 /nfs/dbraw/zinc/57/08/58/278570858.db2.gz QVUBLNFQSPVZCY-OWCLPIDISA-N 1 3 337.533 2.730 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418677543 278858176 /nfs/dbraw/zinc/85/81/76/278858176.db2.gz RXODXDZQTRMHGE-SFHVURJKSA-N 1 3 334.508 2.696 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420347053 279080213 /nfs/dbraw/zinc/08/02/13/279080213.db2.gz ZWYGFWCJRZNSOZ-AABGKKOBSA-N 1 3 343.515 2.918 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000127392200 279083675 /nfs/dbraw/zinc/08/36/75/279083675.db2.gz XRTIRLMSBOFBAV-BXWFABGCSA-N 1 3 331.504 2.987 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000338833919 279121581 /nfs/dbraw/zinc/12/15/81/279121581.db2.gz QOKSFEOBXGTNAX-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000101981683 279201445 /nfs/dbraw/zinc/20/14/45/279201445.db2.gz RVENEVWREWQGCI-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC1 ZINC000101981683 279201446 /nfs/dbraw/zinc/20/14/46/279201446.db2.gz RVENEVWREWQGCI-LJQANCHMSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000338827551 279201907 /nfs/dbraw/zinc/20/19/07/279201907.db2.gz GJFXBDNXFBWPIA-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(C)C ZINC000338827551 279201910 /nfs/dbraw/zinc/20/19/10/279201910.db2.gz GJFXBDNXFBWPIA-HKUYNNGSSA-N 1 3 346.519 2.851 20 0 EFADHO CCN(CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000367596891 279207030 /nfs/dbraw/zinc/20/70/30/279207030.db2.gz AOCWUQFBZBULTA-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO CCN(CCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000367596891 279207033 /nfs/dbraw/zinc/20/70/33/279207033.db2.gz AOCWUQFBZBULTA-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000246234834 279246847 /nfs/dbraw/zinc/24/68/47/279246847.db2.gz IECYJINARDNJEM-HOJAQTOUSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417224407 279254469 /nfs/dbraw/zinc/25/44/69/279254469.db2.gz UWDRQZOYLSDYOI-JFIYKMOQSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000422942869 279256208 /nfs/dbraw/zinc/25/62/08/279256208.db2.gz KUVCFAYLRIGTKP-MNOVXSKESA-N 1 3 343.265 2.998 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000348535267 279271556 /nfs/dbraw/zinc/27/15/56/279271556.db2.gz SRUYBIULJXZWIB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000348535267 279271557 /nfs/dbraw/zinc/27/15/57/279271557.db2.gz SRUYBIULJXZWIB-QZTJIDSGSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000348535269 279271668 /nfs/dbraw/zinc/27/16/68/279271668.db2.gz SRUYBIULJXZWIB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000348535269 279271669 /nfs/dbraw/zinc/27/16/69/279271669.db2.gz SRUYBIULJXZWIB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000348535266 279281447 /nfs/dbraw/zinc/28/14/47/279281447.db2.gz SRUYBIULJXZWIB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000348535266 279281448 /nfs/dbraw/zinc/28/14/48/279281448.db2.gz SRUYBIULJXZWIB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000097361364 279301625 /nfs/dbraw/zinc/30/16/25/279301625.db2.gz JMJZVGDVYWBSFF-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000097361364 279301628 /nfs/dbraw/zinc/30/16/28/279301628.db2.gz JMJZVGDVYWBSFF-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Cl ZINC000351806073 279303054 /nfs/dbraw/zinc/30/30/54/279303054.db2.gz DFZRVRRFFRIZBO-CYBMUJFWSA-N 1 3 343.924 2.890 20 0 EFADHO C[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000348618709 279334971 /nfs/dbraw/zinc/33/49/71/279334971.db2.gz ALEKQXNNMJEBKP-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)N(C)Cc1ccccc1 ZINC000348618709 279334974 /nfs/dbraw/zinc/33/49/74/279334974.db2.gz ALEKQXNNMJEBKP-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464208 279335009 /nfs/dbraw/zinc/33/50/09/279335009.db2.gz PWCMJVUHPOLNSL-DLBZAZTESA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464208 279335011 /nfs/dbraw/zinc/33/50/11/279335011.db2.gz PWCMJVUHPOLNSL-DLBZAZTESA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)N(C)Cc1ccccc1 ZINC000423408181 279345107 /nfs/dbraw/zinc/34/51/07/279345107.db2.gz ODDMHOVSDQFPGD-CVEARBPZSA-N 1 3 325.456 2.957 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000360124833 279379059 /nfs/dbraw/zinc/37/90/59/279379059.db2.gz MPYHFLSOTGALPY-KRWDZBQOSA-N 1 3 348.535 2.925 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000360124833 279379060 /nfs/dbraw/zinc/37/90/60/279379060.db2.gz MPYHFLSOTGALPY-KRWDZBQOSA-N 1 3 348.535 2.925 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C2CCN(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000178039170 288159357 /nfs/dbraw/zinc/15/93/57/288159357.db2.gz WZRSXSJUEPAQCU-IAGOWNOFSA-N 1 3 325.541 2.728 20 0 EFADHO CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000247891912 280079135 /nfs/dbraw/zinc/07/91/35/280079135.db2.gz FPINASCHSKQNSL-APWZRJJASA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000247891912 280079138 /nfs/dbraw/zinc/07/91/38/280079138.db2.gz FPINASCHSKQNSL-APWZRJJASA-N 1 3 331.504 2.875 20 0 EFADHO C[C@@H]1CN(C[C@H]2CCC3(CCCCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000342632703 288199644 /nfs/dbraw/zinc/19/96/44/288199644.db2.gz MXXDOALHDYRWMZ-AQNXPRMDSA-N 1 3 349.563 2.826 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729136 280123321 /nfs/dbraw/zinc/12/33/21/280123321.db2.gz RFRZNQXWYDBRMQ-FPAYPSAMSA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729136 280123323 /nfs/dbraw/zinc/12/33/23/280123323.db2.gz RFRZNQXWYDBRMQ-FPAYPSAMSA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000303603471 280251850 /nfs/dbraw/zinc/25/18/50/280251850.db2.gz NZCMFJVOJFAPEF-MOPGFXCFSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000303603471 280251854 /nfs/dbraw/zinc/25/18/54/280251854.db2.gz NZCMFJVOJFAPEF-MOPGFXCFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000422930020 288219035 /nfs/dbraw/zinc/21/90/35/288219035.db2.gz ASVMYUQECYKZPG-PFRQMTDMSA-N 1 3 331.504 2.513 20 0 EFADHO CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000305070068 280526606 /nfs/dbraw/zinc/52/66/06/280526606.db2.gz JCRQDECBAXDWLJ-HXUWFJFHSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000353453587 280573364 /nfs/dbraw/zinc/57/33/64/280573364.db2.gz RYXHPOHFYKXOBX-HOTGVXAUSA-N 1 3 330.476 2.519 20 0 EFADHO CC[C@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+](CC)CC ZINC000345980774 280674772 /nfs/dbraw/zinc/67/47/72/280674772.db2.gz FPNJKFMMQPUPOM-MRXNPFEDSA-N 1 3 341.565 2.585 20 0 EFADHO CC[C@H]1CN(CCOCC[N@@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000343741132 288289248 /nfs/dbraw/zinc/28/92/48/288289248.db2.gz NEDGFHUDSQILBQ-HOTGVXAUSA-N 1 3 332.579 2.658 20 0 EFADHO CC[C@H]1CN(CCOCC[N@H+]2CCS[C@@H](CC)C2)CCS1 ZINC000343741132 288289249 /nfs/dbraw/zinc/28/92/49/288289249.db2.gz NEDGFHUDSQILBQ-HOTGVXAUSA-N 1 3 332.579 2.658 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000370705161 281341677 /nfs/dbraw/zinc/34/16/77/281341677.db2.gz FERSCOMHVDEZGX-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000106908089 281342258 /nfs/dbraw/zinc/34/22/58/281342258.db2.gz ZRFGPJYJHNFTSH-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000416846588 281425955 /nfs/dbraw/zinc/42/59/55/281425955.db2.gz ULIYWUQBKGTQEP-ROUUACIJSA-N 1 3 334.508 2.524 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000337352894 281817947 /nfs/dbraw/zinc/81/79/47/281817947.db2.gz ZWPLTVQHONCBFV-SFHVURJKSA-N 1 3 338.540 2.528 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182108598 289069167 /nfs/dbraw/zinc/06/91/67/289069167.db2.gz KKNMZMGLOSFFGY-GOSISDBHSA-N 1 3 335.467 2.655 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000174385854 289225469 /nfs/dbraw/zinc/22/54/69/289225469.db2.gz XJIDDCMBLRAUST-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000451455494 289278037 /nfs/dbraw/zinc/27/80/37/289278037.db2.gz JWWKEPRFQGKPFI-ROUUACIJSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)N1CCCCC1 ZINC000351115717 289406465 /nfs/dbraw/zinc/40/64/65/289406465.db2.gz MJVQJTXVXANPDG-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCO1)C1CCN(C)CC1 ZINC000151151586 289785473 /nfs/dbraw/zinc/78/54/73/289785473.db2.gz RFOHMVMOADCKDR-HXUWFJFHSA-N 1 3 331.504 2.876 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269196350 289789782 /nfs/dbraw/zinc/78/97/82/289789782.db2.gz UVXYGKBHVJXXHK-QFBILLFUSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000193136378 290339536 /nfs/dbraw/zinc/33/95/36/290339536.db2.gz KGQQJEYMKBTIPZ-YJBOKZPZSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743351 290390956 /nfs/dbraw/zinc/39/09/56/290390956.db2.gz FNKJUKNUFMCAGV-ZWKOTPCHSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000366743351 290390958 /nfs/dbraw/zinc/39/09/58/290390958.db2.gz FNKJUKNUFMCAGV-ZWKOTPCHSA-N 1 3 347.547 2.974 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccsc1 ZINC000126831950 293051071 /nfs/dbraw/zinc/05/10/71/293051071.db2.gz OVLXQMFNKYSMMX-INIZCTEOSA-N 1 3 338.521 2.524 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000128032526 293089099 /nfs/dbraw/zinc/08/90/99/293089099.db2.gz PFGFCAXRJMEQQJ-APWZRJJASA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000128032526 293089105 /nfs/dbraw/zinc/08/91/05/293089105.db2.gz PFGFCAXRJMEQQJ-APWZRJJASA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000128032774 293089235 /nfs/dbraw/zinc/08/92/35/293089235.db2.gz PFGFCAXRJMEQQJ-VQIMIIECSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@H](C)C1 ZINC000128032774 293089238 /nfs/dbraw/zinc/08/92/38/293089238.db2.gz PFGFCAXRJMEQQJ-VQIMIIECSA-N 1 3 346.519 2.620 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128475033 293104142 /nfs/dbraw/zinc/10/41/42/293104142.db2.gz COOUIYCBYBTNOL-QZTJIDSGSA-N 1 3 333.520 2.804 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)N1CCCCC1 ZINC000129072571 293123536 /nfs/dbraw/zinc/12/35/36/293123536.db2.gz SWLPZHPIIJXCMA-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000130519156 293168729 /nfs/dbraw/zinc/16/87/29/293168729.db2.gz PIXWRASDWKJYCU-PKOBYXMFSA-N 1 3 329.488 2.575 20 0 EFADHO Cc1ccc2cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c2n1 ZINC000132026127 293215917 /nfs/dbraw/zinc/21/59/17/293215917.db2.gz WOUQTFWFUVSRMI-UHFFFAOYSA-N 1 3 343.475 2.500 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2nccn2Cc2ccccc2)[C@H](C)C1 ZINC000132155931 293219667 /nfs/dbraw/zinc/21/96/67/293219667.db2.gz OMDFTKJIXMQACQ-IEBWSBKVSA-N 1 3 326.488 2.794 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2nccn2Cc2ccccc2)[C@H](C)C1 ZINC000132155931 293219670 /nfs/dbraw/zinc/21/96/70/293219670.db2.gz OMDFTKJIXMQACQ-IEBWSBKVSA-N 1 3 326.488 2.794 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177058 293220254 /nfs/dbraw/zinc/22/02/54/293220254.db2.gz XTKXIRCLSUSMSK-AOIWGVFYSA-N 1 3 326.488 2.792 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCc1nccn1Cc1ccccc1 ZINC000132177058 293220256 /nfs/dbraw/zinc/22/02/56/293220256.db2.gz XTKXIRCLSUSMSK-AOIWGVFYSA-N 1 3 326.488 2.792 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216291 293221138 /nfs/dbraw/zinc/22/11/38/293221138.db2.gz QAHMXEVGPTXMHP-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216291 293221142 /nfs/dbraw/zinc/22/11/42/293221142.db2.gz QAHMXEVGPTXMHP-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000132216291 293221144 /nfs/dbraw/zinc/22/11/44/293221144.db2.gz QAHMXEVGPTXMHP-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000132314683 293224116 /nfs/dbraw/zinc/22/41/16/293224116.db2.gz OLOWEMNMHQPBET-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCN(C)C)C1 ZINC000133419467 293256781 /nfs/dbraw/zinc/25/67/81/293256781.db2.gz JDZOOSPABXPFOG-IAGOWNOFSA-N 1 3 346.519 2.525 20 0 EFADHO CCC(CC)(CNC(=O)NCCN(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000133677210 293265193 /nfs/dbraw/zinc/26/51/93/293265193.db2.gz SGDGPKUOHWHHRP-MRXNPFEDSA-N 1 3 334.508 2.757 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000154377902 293422845 /nfs/dbraw/zinc/42/28/45/293422845.db2.gz CGWLCLRRGOQMID-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN2CCCC2)c(C)c1 ZINC000289851164 293927146 /nfs/dbraw/zinc/92/71/46/293927146.db2.gz CEYXDJVACIAKTP-QZTJIDSGSA-N 1 3 345.487 2.796 20 0 EFADHO CSC1(CN2CCN(c3ccccc3OCC[NH+](C)C)CC2)CC1 ZINC000290103218 294000482 /nfs/dbraw/zinc/00/04/82/294000482.db2.gz SEVARTPWEKITKY-UHFFFAOYSA-N 1 3 349.544 2.645 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000290226796 294032629 /nfs/dbraw/zinc/03/26/29/294032629.db2.gz UFOHOMKEMUYNMI-RNQOJCNYSA-N 1 3 343.515 2.886 20 0 EFADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000290254548 294040131 /nfs/dbraw/zinc/04/01/31/294040131.db2.gz KBKZSYWQCDURPZ-MSOLQXFVSA-N 1 3 335.492 2.705 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000290294865 294049437 /nfs/dbraw/zinc/04/94/37/294049437.db2.gz YGHFBBDCZNZBSR-SZMVWBNQSA-N 1 3 349.544 2.710 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000290347799 294062860 /nfs/dbraw/zinc/06/28/60/294062860.db2.gz LPZUNYJLCXSWRM-KBAYOESNSA-N 1 3 344.455 2.527 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000290347799 294062861 /nfs/dbraw/zinc/06/28/61/294062861.db2.gz LPZUNYJLCXSWRM-KBAYOESNSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290441224 294087745 /nfs/dbraw/zinc/08/77/45/294087745.db2.gz SGEQLHCVGFWOPX-FZCLSBEQSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290441224 294087746 /nfs/dbraw/zinc/08/77/46/294087746.db2.gz SGEQLHCVGFWOPX-FZCLSBEQSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290441214 294087866 /nfs/dbraw/zinc/08/78/66/294087866.db2.gz SGEQLHCVGFWOPX-ATLSCFEFSA-N 1 3 344.455 2.527 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290441214 294087869 /nfs/dbraw/zinc/08/78/69/294087869.db2.gz SGEQLHCVGFWOPX-ATLSCFEFSA-N 1 3 344.455 2.527 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000290632390 294141505 /nfs/dbraw/zinc/14/15/05/294141505.db2.gz YAHLJJQBECHMKJ-SJLPKXTDSA-N 1 3 348.487 2.627 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C ZINC000290632390 294141509 /nfs/dbraw/zinc/14/15/09/294141509.db2.gz YAHLJJQBECHMKJ-SJLPKXTDSA-N 1 3 348.487 2.627 20 0 EFADHO COc1cc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1OC ZINC000290637217 294142714 /nfs/dbraw/zinc/14/27/14/294142714.db2.gz YGNPTDSXGAULES-QGZVFWFLSA-N 1 3 348.487 2.876 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](COC)c1cccc(Cl)c1 ZINC000290762161 294177693 /nfs/dbraw/zinc/17/76/93/294177693.db2.gz RPBQZGTZQRBGSS-SJORKVTESA-N 1 3 328.884 2.974 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000291149178 294290865 /nfs/dbraw/zinc/29/08/65/294290865.db2.gz IGQCIZYZWRDDGE-MGPUTAFESA-N 1 3 330.472 2.860 20 0 EFADHO Cc1cc(NC(=O)CC[C@@H]2CCC[NH2+]2)ccc1OCCN1CCCC1 ZINC000292091336 294576546 /nfs/dbraw/zinc/57/65/46/294576546.db2.gz NGWUCCRLBTUEEC-KRWDZBQOSA-N 1 3 345.487 2.940 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000292142013 294592626 /nfs/dbraw/zinc/59/26/26/294592626.db2.gz SRXUVPPQRZRFHU-OALUTQOASA-N 1 3 329.488 2.780 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N2CCCC2)cc1 ZINC000292142017 294592859 /nfs/dbraw/zinc/59/28/59/294592859.db2.gz SRXUVPPQRZRFHU-RBUKOAKNSA-N 1 3 329.488 2.780 20 0 EFADHO Cc1sccc1C[NH2+]CCCN1CCN(c2ccncc2)CC1 ZINC000293700829 295030778 /nfs/dbraw/zinc/03/07/78/295030778.db2.gz XDYYPIGWOMYXRJ-UHFFFAOYSA-N 1 3 330.501 2.753 20 0 EFADHO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703160 295031297 /nfs/dbraw/zinc/03/12/97/295031297.db2.gz OMTPEZSHSJAJNK-IRXDYDNUSA-N 1 3 347.503 2.540 20 0 EFADHO C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293703160 295031299 /nfs/dbraw/zinc/03/12/99/295031299.db2.gz OMTPEZSHSJAJNK-IRXDYDNUSA-N 1 3 347.503 2.540 20 0 EFADHO C[C@@H](CS(=O)(=O)c1ccccc1)NCCCCC[NH+]1CCCC1 ZINC000293770821 295045737 /nfs/dbraw/zinc/04/57/37/295045737.db2.gz SEEWSUOODBTKLR-KRWDZBQOSA-N 1 3 338.517 2.705 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)C2)C1 ZINC000293871098 295068285 /nfs/dbraw/zinc/06/82/85/295068285.db2.gz FFKQTVXEYJCBIS-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO Cc1nc(C(C)C)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000293911792 295077631 /nfs/dbraw/zinc/07/76/31/295077631.db2.gz WZITYKQGWOAZET-UHFFFAOYSA-N 1 3 332.536 2.971 20 0 EFADHO c1cc(N2CCC([NH2+]C[C@H]3COC4(CCCCC4)O3)CC2)ccn1 ZINC000294122997 295114897 /nfs/dbraw/zinc/11/48/97/295114897.db2.gz DXMUPQJWHRKJJB-SFHVURJKSA-N 1 3 331.460 2.716 20 0 EFADHO COc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1OC ZINC000294182146 295123813 /nfs/dbraw/zinc/12/38/13/295123813.db2.gz KCWSFFHFKVUNTJ-UHFFFAOYSA-N 1 3 327.428 2.857 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000294323274 295147050 /nfs/dbraw/zinc/14/70/50/295147050.db2.gz RADGGMRKGGHVTI-OAHLLOKOSA-N 1 3 331.460 2.762 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNCc1ccc2c(c1)NC(=O)CO2 ZINC000294323274 295147051 /nfs/dbraw/zinc/14/70/51/295147051.db2.gz RADGGMRKGGHVTI-OAHLLOKOSA-N 1 3 331.460 2.762 20 0 EFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(C(=O)OC)cc1 ZINC000294403151 295161211 /nfs/dbraw/zinc/16/12/11/295161211.db2.gz SQLUKBQWTCBHMG-GOSISDBHSA-N 1 3 347.503 2.540 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294674235 295205437 /nfs/dbraw/zinc/20/54/37/295205437.db2.gz SKSYZNMOLAHEAH-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422760993 295241944 /nfs/dbraw/zinc/24/19/44/295241944.db2.gz QSRNJMFSWYCSMK-SXLOBPIMSA-N 1 3 331.504 2.939 20 0 EFADHO Cc1nccnc1CC[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000294918940 295245636 /nfs/dbraw/zinc/24/56/36/295245636.db2.gz GSWSWKWQTQOUTE-HNNXBMFYSA-N 1 3 328.460 2.619 20 0 EFADHO C[C@H](O)CCN(C)Cc1cc(Cl)cc(C[N@H+](C)CC[C@H](C)O)c1 ZINC000294935048 295247999 /nfs/dbraw/zinc/24/79/99/295247999.db2.gz JHGSWAIXCPYBFH-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](O)CCN(C)Cc1cc(Cl)cc(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000294935048 295248000 /nfs/dbraw/zinc/24/80/00/295248000.db2.gz JHGSWAIXCPYBFH-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO COC(=O)COC[C@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000294941020 295248688 /nfs/dbraw/zinc/24/86/88/295248688.db2.gz DTSLUCDXIFMTQB-KRWDZBQOSA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000294941024 295248730 /nfs/dbraw/zinc/24/87/30/295248730.db2.gz DTSLUCDXIFMTQB-QGZVFWFLSA-N 1 3 348.487 2.586 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000295000048 295256218 /nfs/dbraw/zinc/25/62/18/295256218.db2.gz LFDDSEZUFNJVPY-QYZOEREBSA-N 1 3 325.456 2.590 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000295226878 295285046 /nfs/dbraw/zinc/28/50/46/295285046.db2.gz RMFBTZCFLNOOQP-MRXNPFEDSA-N 1 3 329.488 2.675 20 0 EFADHO c1cn2c(n1)[C@H](NCCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000295841758 295384419 /nfs/dbraw/zinc/38/44/19/295384419.db2.gz FQDCLOBFWISERI-LJQANCHMSA-N 1 3 339.487 2.520 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000295846229 295385226 /nfs/dbraw/zinc/38/52/26/295385226.db2.gz WEIIHRFQOXUNEI-HQRMLTQVSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000295846229 295385228 /nfs/dbraw/zinc/38/52/28/295385228.db2.gz WEIIHRFQOXUNEI-HQRMLTQVSA-N 1 3 341.499 2.640 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CCOC2(CCC2)C1 ZINC000295938219 295399843 /nfs/dbraw/zinc/39/98/43/295399843.db2.gz GCHUWCGVMRMACV-QGZVFWFLSA-N 1 3 333.476 2.603 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])OC(C)C ZINC000423048122 295403595 /nfs/dbraw/zinc/40/35/95/295403595.db2.gz HRQAONSPEWKEAI-WFEDQXDTSA-N 1 3 336.476 2.503 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000342752099 297262070 /nfs/dbraw/zinc/26/20/70/297262070.db2.gz DNAXIFLMVWWRSD-BHIYHBOVSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000342752099 297262073 /nfs/dbraw/zinc/26/20/73/297262073.db2.gz DNAXIFLMVWWRSD-BHIYHBOVSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000342752099 297262076 /nfs/dbraw/zinc/26/20/76/297262076.db2.gz DNAXIFLMVWWRSD-BHIYHBOVSA-N 1 3 333.520 2.869 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340963244 297358194 /nfs/dbraw/zinc/35/81/94/297358194.db2.gz IZVWPGLZBLWLJF-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1 ZINC000340963244 297358195 /nfs/dbraw/zinc/35/81/95/297358195.db2.gz IZVWPGLZBLWLJF-XWTMOSNGSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416235562 297717370 /nfs/dbraw/zinc/71/73/70/297717370.db2.gz VAZLAIOZSRMDQO-NEWSRXKRSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448358 298086464 /nfs/dbraw/zinc/08/64/64/298086464.db2.gz OACXHVFRUMVXII-MUDKKEKZSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448358 298086467 /nfs/dbraw/zinc/08/64/67/298086467.db2.gz OACXHVFRUMVXII-MUDKKEKZSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000423100852 298893322 /nfs/dbraw/zinc/89/33/22/298893322.db2.gz HTMXHLCEXAJBAX-KZNAEPCWSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1CN(CCOCC[N@@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000351994787 300263371 /nfs/dbraw/zinc/26/33/71/300263371.db2.gz LGACIHAYIGNHMG-KBPBESRZSA-N 1 3 340.405 2.957 20 0 EFADHO C[C@H]1CN(CCOCC[N@H+]2CCC(F)(F)[C@@H](C)C2)CCC1(F)F ZINC000351994787 300263375 /nfs/dbraw/zinc/26/33/75/300263375.db2.gz LGACIHAYIGNHMG-KBPBESRZSA-N 1 3 340.405 2.957 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000424470909 302137922 /nfs/dbraw/zinc/13/79/22/302137922.db2.gz BWOLDOJBOJUBLE-VDHUWJSZSA-N 1 3 332.492 2.555 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])N(C)C ZINC000424470891 302201504 /nfs/dbraw/zinc/20/15/04/302201504.db2.gz BWOLDOJBOJUBLE-DDBAPUKQSA-N 1 3 332.492 2.555 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047198 303399986 /nfs/dbraw/zinc/39/99/86/303399986.db2.gz FVKOAUQLASAGRL-KBPBESRZSA-N 1 3 331.382 2.672 20 0 EFADHO NC[C@H]1CCC[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000422798101 303424685 /nfs/dbraw/zinc/42/46/85/303424685.db2.gz PSEWVBVZMPDZLO-WBVHZDCISA-N 1 3 330.472 2.987 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000238016399 303484069 /nfs/dbraw/zinc/48/40/69/303484069.db2.gz GYPMAQOIQXQQRG-APWZRJJASA-N 1 3 329.488 2.806 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000297169696 310861193 /nfs/dbraw/zinc/86/11/93/310861193.db2.gz VHIAFMZWXDODHX-IBGZPJMESA-N 1 3 344.503 2.605 20 0 EFADHO COc1ccc(COCC[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297343150 310883558 /nfs/dbraw/zinc/88/35/58/310883558.db2.gz DRAQCBKJQQTTIZ-UHFFFAOYSA-N 1 3 341.455 2.865 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000298282774 310975006 /nfs/dbraw/zinc/97/50/06/310975006.db2.gz GWWMHBRRSRMTDQ-LIRRHRJNSA-N 1 3 329.419 2.901 20 0 EFADHO CNC(=O)C[C@H](C)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000298547424 311001660 /nfs/dbraw/zinc/00/16/60/311001660.db2.gz DSIMYVOHOYBBBY-ZACQAIPSSA-N 1 3 331.504 2.779 20 0 EFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000298561820 311003339 /nfs/dbraw/zinc/00/33/39/311003339.db2.gz JSHDXFKTZRYMOP-IXDOHACOSA-N 1 3 331.504 2.779 20 0 EFADHO CNC(=O)C[C@@H](C)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000298561820 311003341 /nfs/dbraw/zinc/00/33/41/311003341.db2.gz JSHDXFKTZRYMOP-IXDOHACOSA-N 1 3 331.504 2.779 20 0 EFADHO CCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298564821 311003752 /nfs/dbraw/zinc/00/37/52/311003752.db2.gz WLDURWTYDCKIHR-UHFFFAOYSA-N 1 3 338.455 2.590 20 0 EFADHO CN(CCC[NH2+]C1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C ZINC000298589705 311006037 /nfs/dbraw/zinc/00/60/37/311006037.db2.gz YIJWKTSCINAKRN-UHFFFAOYSA-N 1 3 348.491 2.897 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000298777779 311022708 /nfs/dbraw/zinc/02/27/08/311022708.db2.gz WQRPVSJUQSZLPP-QGZVFWFLSA-N 1 3 329.488 2.744 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000299335294 311073857 /nfs/dbraw/zinc/07/38/57/311073857.db2.gz KHYIYJIFEPQGFC-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC000299335294 311073858 /nfs/dbraw/zinc/07/38/58/311073858.db2.gz KHYIYJIFEPQGFC-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccsc1 ZINC000299373156 311078058 /nfs/dbraw/zinc/07/80/58/311078058.db2.gz MYHGTACSYJJHBM-GOEBONIOSA-N 1 3 340.537 2.770 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416460 311082656 /nfs/dbraw/zinc/08/26/56/311082656.db2.gz UDDBFRMZDDEJJA-RLLQIKCJSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416460 311082657 /nfs/dbraw/zinc/08/26/57/311082657.db2.gz UDDBFRMZDDEJJA-RLLQIKCJSA-N 1 3 334.504 2.837 20 0 EFADHO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000299709302 311112964 /nfs/dbraw/zinc/11/29/64/311112964.db2.gz RZTRHWRXRBRJIL-FQEVSTJZSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000300199932 311116156 /nfs/dbraw/zinc/11/61/56/311116156.db2.gz JDSNJQLCEVBOPY-JONQDZQNSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000300199932 311116157 /nfs/dbraw/zinc/11/61/57/311116157.db2.gz JDSNJQLCEVBOPY-JONQDZQNSA-N 1 3 327.513 2.854 20 0 EFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CNCc2ccccc21 ZINC000311134180 311229846 /nfs/dbraw/zinc/22/98/46/311229846.db2.gz JHZPTGMYKPQCCB-OAQYLSRUSA-N 1 3 349.478 2.654 20 0 EFADHO C[C@H](CNC[C@@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000320494474 311237737 /nfs/dbraw/zinc/23/77/37/311237737.db2.gz BNEPSQZOOGKOQP-NVXWUHKLSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000320494474 311237738 /nfs/dbraw/zinc/23/77/38/311237738.db2.gz BNEPSQZOOGKOQP-NVXWUHKLSA-N 1 3 340.895 2.539 20 0 EFADHO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCCN(Cc2ccccc2)CC1 ZINC000324024174 311240920 /nfs/dbraw/zinc/24/09/20/311240920.db2.gz OFYCYRJAGXZGKA-NRFANRHFSA-N 1 3 349.478 2.608 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC1(O)CCN(C)CC1 ZINC000329669488 311287615 /nfs/dbraw/zinc/28/76/15/311287615.db2.gz SNIWOTIXKIQEOY-GOSISDBHSA-N 1 3 327.472 2.900 20 0 EFADHO N[C@@H]1CCC[C@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000332136197 311460389 /nfs/dbraw/zinc/46/03/89/311460389.db2.gz CXFOYQBYEIKQNY-HIFRSBDPSA-N 1 3 335.879 2.804 20 0 EFADHO CC(C)c1nnc2n1C[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000333295332 311596421 /nfs/dbraw/zinc/59/64/21/311596421.db2.gz PFVJBWNYGNXVNF-YYIAUSFCSA-N 1 3 331.508 2.617 20 0 EFADHO C[C@H](NCc1nnc(C2CC[NH2+]CC2)[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000333557656 311628981 /nfs/dbraw/zinc/62/89/81/311628981.db2.gz KLIQAGDHXUQGKR-IVKJLDKCSA-N 1 3 343.519 2.966 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000411488557 311977441 /nfs/dbraw/zinc/97/74/41/311977441.db2.gz LEZLBFAGXDCMCM-HXUWFJFHSA-N 1 3 329.488 2.716 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414775716 312052860 /nfs/dbraw/zinc/05/28/60/312052860.db2.gz GNANXDGKRPJVDY-IAGOWNOFSA-N 1 3 328.435 2.833 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@@H]1CCC[NH2+]C1 ZINC000414822075 312054110 /nfs/dbraw/zinc/05/41/10/312054110.db2.gz BYECSAWBPAJKMR-HUUCEWRRSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCNC1 ZINC000414822075 312054111 /nfs/dbraw/zinc/05/41/11/312054111.db2.gz BYECSAWBPAJKMR-HUUCEWRRSA-N 1 3 337.895 2.666 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H]1CCC[NH2+]C1 ZINC000414831025 312055557 /nfs/dbraw/zinc/05/55/57/312055557.db2.gz PEECLWJDBBWFSD-CHWSQXEVSA-N 1 3 339.867 2.655 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000414831025 312055560 /nfs/dbraw/zinc/05/55/60/312055560.db2.gz PEECLWJDBBWFSD-CHWSQXEVSA-N 1 3 339.867 2.655 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414834641 312055721 /nfs/dbraw/zinc/05/57/21/312055721.db2.gz SYJQNDUBGJVPOE-GDBMZVCRSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414834641 312055723 /nfs/dbraw/zinc/05/57/23/312055723.db2.gz SYJQNDUBGJVPOE-GDBMZVCRSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@@H]1CCC[NH2+]C1 ZINC000414834642 312055878 /nfs/dbraw/zinc/05/58/78/312055878.db2.gz SYJQNDUBGJVPOE-GOEBONIOSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCNC1 ZINC000414834642 312055880 /nfs/dbraw/zinc/05/58/80/312055880.db2.gz SYJQNDUBGJVPOE-GOEBONIOSA-N 1 3 337.895 2.666 20 0 EFADHO CC[NH2+]CCNC1CCN(Cc2ccccc2Br)CC1 ZINC000414834158 312055982 /nfs/dbraw/zinc/05/59/82/312055982.db2.gz SWBUMOFKJPMOAY-UHFFFAOYSA-N 1 3 340.309 2.613 20 0 EFADHO CCNCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414834158 312055985 /nfs/dbraw/zinc/05/59/85/312055985.db2.gz SWBUMOFKJPMOAY-UHFFFAOYSA-N 1 3 340.309 2.613 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000414837638 312056596 /nfs/dbraw/zinc/05/65/96/312056596.db2.gz KQAMNEJAFNLNCO-NWDGAFQWSA-N 1 3 327.856 2.511 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2(N)CCCCC2)c1 ZINC000414843893 312057538 /nfs/dbraw/zinc/05/75/38/312057538.db2.gz OZDQFGOIGFWWQJ-CQSZACIVSA-N 1 3 349.475 2.672 20 0 EFADHO Brc1cc2c(cc1CNCC[C@@H]1CCC[NH2+]C1)OCO2 ZINC000414849829 312057840 /nfs/dbraw/zinc/05/78/40/312057840.db2.gz MDBQMCMHFNBKAZ-NSHDSACASA-N 1 3 341.249 2.657 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414940962 312068043 /nfs/dbraw/zinc/06/80/43/312068043.db2.gz CDAPODXLMOMHKK-YCPHGPKFSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414940962 312068045 /nfs/dbraw/zinc/06/80/45/312068045.db2.gz CDAPODXLMOMHKK-YCPHGPKFSA-N 1 3 337.895 2.807 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNCCC[C@@H]1CCC[NH2+]1 ZINC000414966590 312068498 /nfs/dbraw/zinc/06/84/98/312068498.db2.gz OQNMZKQTJLVSNY-CQSZACIVSA-N 1 3 344.908 2.755 20 0 EFADHO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCNCC1 ZINC000414975516 312069793 /nfs/dbraw/zinc/06/97/93/312069793.db2.gz LYBQXGMXENABOH-UHFFFAOYSA-N 1 3 330.476 2.542 20 0 EFADHO FC(F)Oc1cc2c(cc1CNCCC[C@H]1CCC[NH2+]1)OCO2 ZINC000414977827 312070145 /nfs/dbraw/zinc/07/01/45/312070145.db2.gz RZIJJILYICCXAZ-LBPRGKRZSA-N 1 3 328.359 2.639 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000414993327 312072750 /nfs/dbraw/zinc/07/27/50/312072750.db2.gz CMOYMOZFCTYLDL-NWDGAFQWSA-N 1 3 337.830 2.667 20 0 EFADHO CC(C)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414993949 312073363 /nfs/dbraw/zinc/07/33/63/312073363.db2.gz VAONJTFWJJWRMU-INIZCTEOSA-N 1 3 329.410 2.736 20 0 EFADHO C[C@@H](CCCC[NH3+])NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000415012548 312077129 /nfs/dbraw/zinc/07/71/29/312077129.db2.gz JIQVLRUBQKKPNR-NSHDSACASA-N 1 3 325.819 2.667 20 0 EFADHO COc1cc(Br)c(CNC[C@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000415011579 312077313 /nfs/dbraw/zinc/07/73/13/312077313.db2.gz WGSLARNTIIKAFT-CMPLNLGQSA-N 1 3 343.265 2.770 20 0 EFADHO C[C@H](CCCC[NH3+])NCc1cc2c(cc1Br)OCO2 ZINC000415015536 312077750 /nfs/dbraw/zinc/07/77/50/312077750.db2.gz ODNSFRKSNMHHGK-SNVBAGLBSA-N 1 3 329.238 2.785 20 0 EFADHO COc1cc(Br)c(CN[C@@H](C)CCC[NH3+])c(OC)c1 ZINC000415019298 312078101 /nfs/dbraw/zinc/07/81/01/312078101.db2.gz HXBNNDHQEYZLFM-JTQLQIEISA-N 1 3 331.254 2.683 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000415044805 312082622 /nfs/dbraw/zinc/08/26/22/312082622.db2.gz BZKCWIVZRXVXCF-CXAGYDPISA-N 1 3 349.475 2.528 20 0 EFADHO COc1cc(Br)c(CN[C@@H]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000415050784 312083611 /nfs/dbraw/zinc/08/36/11/312083611.db2.gz YSBDJFIQPHRTKQ-GHMZBOCLSA-N 1 3 343.265 2.683 20 0 EFADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CNCCCO1 ZINC000415049445 312083794 /nfs/dbraw/zinc/08/37/94/312083794.db2.gz YCVIAZQXNRGQPR-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000415049445 312083796 /nfs/dbraw/zinc/08/37/96/312083796.db2.gz YCVIAZQXNRGQPR-BBRMVZONSA-N 1 3 330.394 2.995 20 0 EFADHO COc1cc(Br)c(CN[C@H]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000415050786 312083801 /nfs/dbraw/zinc/08/38/01/312083801.db2.gz YSBDJFIQPHRTKQ-QWRGUYRKSA-N 1 3 343.265 2.683 20 0 EFADHO COc1cc(Br)c(CN[C@H](C)CCC[NH3+])cc1OC ZINC000415056791 312084943 /nfs/dbraw/zinc/08/49/43/312084943.db2.gz HDAQUVOILYETDO-SNVBAGLBSA-N 1 3 331.254 2.683 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)N[C@@H](C[NH3+])C2CCCC2)c(OC)c1 ZINC000415065329 312087005 /nfs/dbraw/zinc/08/70/05/312087005.db2.gz MOYUVLLPZNZZPZ-DYVFJYSZSA-N 1 3 349.475 2.528 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+]CCCNC2CC2)CC1 ZINC000415069192 312087608 /nfs/dbraw/zinc/08/76/08/312087608.db2.gz OHXDQLYZTQPLLP-UHFFFAOYSA-N 1 3 335.879 2.676 20 0 EFADHO C[C@H](C[C@@H]1CCC[NH2+]1)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000415074276 312088388 /nfs/dbraw/zinc/08/83/88/312088388.db2.gz CENHLILSQBQLSY-ZBFHGGJFSA-N 1 3 333.451 2.551 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)C1 ZINC000415078079 312089139 /nfs/dbraw/zinc/08/91/39/312089139.db2.gz IESFFSQMNDAEKZ-AQNXPRMDSA-N 1 3 343.515 2.575 20 0 EFADHO COc1ccc([C@@H](CNC[C@]2(C)CC[NH2+]C2)N2CCCCC2)cc1 ZINC000415082408 312089943 /nfs/dbraw/zinc/08/99/43/312089943.db2.gz LRGAWFIDVLRNHC-WOJBJXKFSA-N 1 3 331.504 2.811 20 0 EFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000415088877 312091202 /nfs/dbraw/zinc/09/12/02/312091202.db2.gz YDQZAQSNKDILAX-PWRODBHTSA-N 1 3 343.515 2.529 20 0 EFADHO c1cn(Cc2ccccc2)c(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000415089466 312091592 /nfs/dbraw/zinc/09/15/92/312091592.db2.gz XXVUUOPTONATSB-ZCNNSNEGSA-N 1 3 338.499 2.984 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCCCC1 ZINC000415100331 312093905 /nfs/dbraw/zinc/09/39/05/312093905.db2.gz HWACSVCJOXXTFH-GBESFXJTSA-N 1 3 335.536 2.532 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415112511 312096123 /nfs/dbraw/zinc/09/61/23/312096123.db2.gz SHNCCXFTMJQACB-PMACEKPBSA-N 1 3 332.488 2.976 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCCNCC2)CC1)c1ccccc1 ZINC000415113122 312096337 /nfs/dbraw/zinc/09/63/37/312096337.db2.gz SLXIBCBKQZGYGU-AZUAARDMSA-N 1 3 343.515 2.903 20 0 EFADHO CCc1cc(OC)ccc1CN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415131008 312099776 /nfs/dbraw/zinc/09/97/76/312099776.db2.gz YHSLVEHORRPGBX-AZUAARDMSA-N 1 3 332.488 2.976 20 0 EFADHO COc1ccccc1/C=C/CN1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415130793 312100105 /nfs/dbraw/zinc/10/01/05/312100105.db2.gz XSTJHWUKQSHUNN-XAAYCEGJSA-N 1 3 330.472 2.927 20 0 EFADHO O=C1N[C@H]2CN(CCC3CCCCCC3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415146524 312103080 /nfs/dbraw/zinc/10/30/80/312103080.db2.gz YTWGMKXRFXJJOX-RBUKOAKNSA-N 1 3 348.535 2.567 20 0 EFADHO c1cc(OCC2CC2)ccc1CN1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415146911 312103491 /nfs/dbraw/zinc/10/34/91/312103491.db2.gz ZOPREIAKBPTUPS-UXHICEINSA-N 1 3 342.483 2.676 20 0 EFADHO Cc1ccc(NC(=O)NC(C)(C)CCC[NH3+])c(OCCN(C)C)c1 ZINC000415203966 312113520 /nfs/dbraw/zinc/11/35/20/312113520.db2.gz MUKFEHPCWPEHIK-UHFFFAOYSA-N 1 3 336.480 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(OCCN(C)C)c1 ZINC000415210663 312114582 /nfs/dbraw/zinc/11/45/82/312114582.db2.gz XBZCHYGDOXOHPD-HZPDHXFCSA-N 1 3 348.491 2.527 20 0 EFADHO CCC[NH2+]CCNC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000415310824 312128149 /nfs/dbraw/zinc/12/81/49/312128149.db2.gz PVUYVRGDWZVNPO-UHFFFAOYSA-N 1 3 348.491 2.672 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000415880166 312178687 /nfs/dbraw/zinc/17/86/87/312178687.db2.gz DSABWQNREDCARQ-IBGZPJMESA-N 1 3 342.487 2.718 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000415880166 312178690 /nfs/dbraw/zinc/17/86/90/312178690.db2.gz DSABWQNREDCARQ-IBGZPJMESA-N 1 3 342.487 2.718 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@@H]1C ZINC000415887390 312179778 /nfs/dbraw/zinc/17/97/78/312179778.db2.gz XKOAKBSDABIHMN-KBXCAEBGSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCC3)C[C@@H]1C ZINC000415887390 312179779 /nfs/dbraw/zinc/17/97/79/312179779.db2.gz XKOAKBSDABIHMN-KBXCAEBGSA-N 1 3 330.476 2.669 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415945293 312182954 /nfs/dbraw/zinc/18/29/54/312182954.db2.gz CQQSJEYZMBDJRZ-OAHLLOKOSA-N 1 3 326.444 2.787 20 0 EFADHO C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000415957953 312185139 /nfs/dbraw/zinc/18/51/39/312185139.db2.gz NDLDORXWEPFMEP-KBXCAEBGSA-N 1 3 326.444 2.958 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000415971661 312187654 /nfs/dbraw/zinc/18/76/54/312187654.db2.gz GLHGBYICWZPJMP-UHFFFAOYSA-N 1 3 348.516 2.628 20 0 EFADHO CC1CCC(N2CCN(C(=O)Nc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000415978528 312188880 /nfs/dbraw/zinc/18/88/80/312188880.db2.gz PLVOJILHEVTXRY-UHFFFAOYSA-N 1 3 330.476 2.874 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000415976526 312189056 /nfs/dbraw/zinc/18/90/56/312189056.db2.gz VTRQBLHWENLNBM-UHFFFAOYSA-N 1 3 326.444 2.660 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@@H]1C)c1ccsc1 ZINC000417009896 312194272 /nfs/dbraw/zinc/19/42/72/312194272.db2.gz OABCSFVRRCPSSP-OFQRWUPVSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)c1ccsc1 ZINC000417009896 312194273 /nfs/dbraw/zinc/19/42/73/312194273.db2.gz OABCSFVRRCPSSP-OFQRWUPVSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccsc1 ZINC000417010490 312194482 /nfs/dbraw/zinc/19/44/82/312194482.db2.gz PGCSIISJDABMDS-HOTGVXAUSA-N 1 3 338.521 2.654 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000417304890 312206602 /nfs/dbraw/zinc/20/66/02/312206602.db2.gz FWDLGIDOAMFLTN-JQHSSLGASA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000417314965 312207948 /nfs/dbraw/zinc/20/79/48/312207948.db2.gz RPUNQBLHNSHPAV-HKUYNNGSSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC(C)CC1 ZINC000417318260 312208504 /nfs/dbraw/zinc/20/85/04/312208504.db2.gz YKUWBCDNCWBXNQ-QGZVFWFLSA-N 1 3 338.540 2.657 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417336245 312210609 /nfs/dbraw/zinc/21/06/09/312210609.db2.gz WOTUTIGCQJCNSK-MSOLQXFVSA-N 1 3 346.519 2.667 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000417354501 312213404 /nfs/dbraw/zinc/21/34/04/312213404.db2.gz LZWSNMUSTHANMT-MOPGFXCFSA-N 1 3 346.519 2.805 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCN[C@@H](C)[C@H]2C)[NH+]2CCCC2)cc1 ZINC000417358457 312213652 /nfs/dbraw/zinc/21/36/52/312213652.db2.gz TXUDCUYONAIACP-SCTDSRPQSA-N 1 3 344.503 2.524 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000417419155 312222122 /nfs/dbraw/zinc/22/21/22/312222122.db2.gz CHVWHELFTKSCOW-IBGZPJMESA-N 1 3 340.471 2.623 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)C1CC1 ZINC000417419155 312222125 /nfs/dbraw/zinc/22/21/25/312222125.db2.gz CHVWHELFTKSCOW-IBGZPJMESA-N 1 3 340.471 2.623 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000417535744 312236002 /nfs/dbraw/zinc/23/60/02/312236002.db2.gz AYUAMJYQUCGQHV-APWZRJJASA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000417535744 312236004 /nfs/dbraw/zinc/23/60/04/312236004.db2.gz AYUAMJYQUCGQHV-APWZRJJASA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[N@H+](C)C1CC1 ZINC000417555983 312239107 /nfs/dbraw/zinc/23/91/07/312239107.db2.gz ZIEBRVCSYZCVSC-LIRRHRJNSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CN)c1ccc2ccccc2c1)[N@@H+](C)C1CC1 ZINC000417555983 312239108 /nfs/dbraw/zinc/23/91/08/312239108.db2.gz ZIEBRVCSYZCVSC-LIRRHRJNSA-N 1 3 340.471 2.622 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000417553827 312239204 /nfs/dbraw/zinc/23/92/04/312239204.db2.gz VLMZBBXJRJREBC-KSSFIOAISA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000417553827 312239206 /nfs/dbraw/zinc/23/92/06/312239206.db2.gz VLMZBBXJRJREBC-KSSFIOAISA-N 1 3 332.492 2.592 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000417589218 312244751 /nfs/dbraw/zinc/24/47/51/312244751.db2.gz QAJJFOJUDDVNBH-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000417595786 312245576 /nfs/dbraw/zinc/24/55/76/312245576.db2.gz YKFWCQJHXWENSR-AEFFLSMTSA-N 1 3 334.508 2.522 20 0 EFADHO CCCN(C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417629437 312249600 /nfs/dbraw/zinc/24/96/00/312249600.db2.gz QEQUVLBLUVNIRG-WMZOPIPTSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000417634303 312250315 /nfs/dbraw/zinc/25/03/15/312250315.db2.gz VJQULMIXMDHUJJ-HZPDHXFCSA-N 1 3 334.508 2.933 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000417654110 312253077 /nfs/dbraw/zinc/25/30/77/312253077.db2.gz RLQISQBELRMRQJ-RTBURBONSA-N 1 3 346.519 2.666 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417689537 312257254 /nfs/dbraw/zinc/25/72/54/312257254.db2.gz KGVGUSXWBDKUJO-JZXOWHBKSA-N 1 3 344.503 2.591 20 0 EFADHO CCC[NH2+]CCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417694480 312257938 /nfs/dbraw/zinc/25/79/38/312257938.db2.gz SBPRWPKVNMTSMR-MRXNPFEDSA-N 1 3 332.492 2.511 20 0 EFADHO CCC[NH2+]CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417694479 312258067 /nfs/dbraw/zinc/25/80/67/312258067.db2.gz SBPRWPKVNMTSMR-INIZCTEOSA-N 1 3 332.492 2.511 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417696951 312258282 /nfs/dbraw/zinc/25/82/82/312258282.db2.gz CRMJUBKIZOANEE-XYJFISCASA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H](NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000417698621 312258644 /nfs/dbraw/zinc/25/86/44/312258644.db2.gz GTENBKUWNZAKIC-RYRKJORJSA-N 1 3 346.519 2.803 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000417701374 312258930 /nfs/dbraw/zinc/25/89/30/312258930.db2.gz JJGVUXOTHYKXBZ-DOTOQJQBSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000417703577 312259385 /nfs/dbraw/zinc/25/93/85/312259385.db2.gz LKNWGFFOWNQWGI-OAGGEKHMSA-N 1 3 332.492 2.508 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000417743034 312264211 /nfs/dbraw/zinc/26/42/11/312264211.db2.gz BTDFVJLPFHITPC-JCGIZDLHSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000417743034 312264212 /nfs/dbraw/zinc/26/42/12/312264212.db2.gz BTDFVJLPFHITPC-JCGIZDLHSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000417810098 312272994 /nfs/dbraw/zinc/27/29/94/312272994.db2.gz HZUXCPVKYKPXOA-SFHVURJKSA-N 1 3 329.488 2.703 20 0 EFADHO C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H](N)c1ccccc1 ZINC000417836454 312278391 /nfs/dbraw/zinc/27/83/91/312278391.db2.gz OUJUQXMHBIKRLX-ZYSHUDEJSA-N 1 3 325.456 2.919 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417837737 312278731 /nfs/dbraw/zinc/27/87/31/312278731.db2.gz XRVFHHVHVPVKJD-BHIYHBOVSA-N 1 3 346.519 2.714 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000417843616 312279912 /nfs/dbraw/zinc/27/99/12/312279912.db2.gz QQGRZLLWFZUPJC-NEWSRXKRSA-N 1 3 344.503 2.562 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000417854706 312282659 /nfs/dbraw/zinc/28/26/59/312282659.db2.gz KDRZKXRDDGKAEE-RHSMWYFYSA-N 1 3 334.508 2.524 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000417854704 312282778 /nfs/dbraw/zinc/28/27/78/312282778.db2.gz KDRZKXRDDGKAEE-PBHICJAKSA-N 1 3 334.508 2.524 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000417873919 312286959 /nfs/dbraw/zinc/28/69/59/312286959.db2.gz KCOCZUWTNKASRW-APWZRJJASA-N 1 3 346.519 2.526 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000417873919 312286961 /nfs/dbraw/zinc/28/69/61/312286961.db2.gz KCOCZUWTNKASRW-APWZRJJASA-N 1 3 346.519 2.526 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000417873923 312286979 /nfs/dbraw/zinc/28/69/79/312286979.db2.gz KCOCZUWTNKASRW-QFBILLFUSA-N 1 3 346.519 2.526 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000417873923 312286981 /nfs/dbraw/zinc/28/69/81/312286981.db2.gz KCOCZUWTNKASRW-QFBILLFUSA-N 1 3 346.519 2.526 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CCCNCC2)c1 ZINC000417882686 312288818 /nfs/dbraw/zinc/28/88/18/312288818.db2.gz SDFVQWJNTKEOOQ-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCCNCC2)c1 ZINC000417882686 312288819 /nfs/dbraw/zinc/28/88/19/312288819.db2.gz SDFVQWJNTKEOOQ-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CC1(C)C[C@@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)CO1 ZINC000417892649 312290836 /nfs/dbraw/zinc/29/08/36/312290836.db2.gz XOSJYIYGOUCIJX-GOSISDBHSA-N 1 3 331.504 2.746 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000417928739 312297186 /nfs/dbraw/zinc/29/71/86/312297186.db2.gz NJKVWBOLGMCEAZ-MJGOQNOKSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000417928739 312297187 /nfs/dbraw/zinc/29/71/87/312297187.db2.gz NJKVWBOLGMCEAZ-MJGOQNOKSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1[C@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCCN1C ZINC000418011333 312309095 /nfs/dbraw/zinc/30/90/95/312309095.db2.gz WUGJNWZYUFYTLV-NIKGAXFTSA-N 1 3 340.471 2.622 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418023245 312310708 /nfs/dbraw/zinc/31/07/08/312310708.db2.gz BJTGPMZENSZYRO-NZSAHSFTSA-N 1 3 346.519 2.583 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418023244 312310977 /nfs/dbraw/zinc/31/09/77/312310977.db2.gz BJTGPMZENSZYRO-NEWSRXKRSA-N 1 3 346.519 2.583 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418034861 312313729 /nfs/dbraw/zinc/31/37/29/312313729.db2.gz OYGXRBOICGRNFM-FHWLQOOXSA-N 1 3 346.519 2.570 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CCC[NH3+] ZINC000418037739 312314309 /nfs/dbraw/zinc/31/43/09/312314309.db2.gz REPUTNGQUCASOE-AEFFLSMTSA-N 1 3 334.508 2.570 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418104306 312326661 /nfs/dbraw/zinc/32/66/61/312326661.db2.gz XOZXFTVBVOQBPM-ZWKOTPCHSA-N 1 3 346.519 2.886 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCCCN1C1CC1)c1ccccc1 ZINC000418116478 312329471 /nfs/dbraw/zinc/32/94/71/312329471.db2.gz QGQXIGXTVGMSNO-MOPGFXCFSA-N 1 3 344.503 2.783 20 0 EFADHO CCCN(C)[C@H](CNC(=O)N[C@H](C)CC[NH3+])c1ccc(Cl)cc1 ZINC000418160868 312337131 /nfs/dbraw/zinc/33/71/31/312337131.db2.gz BRYVDEZXVJXKTG-CZUORRHYSA-N 1 3 340.899 2.759 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000418160714 312337166 /nfs/dbraw/zinc/33/71/66/312337166.db2.gz BMWCQPDMKLBRCH-OAHLLOKOSA-N 1 3 340.899 2.759 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000418160704 312337225 /nfs/dbraw/zinc/33/72/25/312337225.db2.gz BMWCQPDMKLBRCH-HNNXBMFYSA-N 1 3 340.899 2.759 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccco1 ZINC000418164286 312337948 /nfs/dbraw/zinc/33/79/48/312337948.db2.gz ICGCRPPBUXHMEU-JYJNAYRXSA-N 1 3 338.496 2.724 20 0 EFADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418165276 312338141 /nfs/dbraw/zinc/33/81/41/312338141.db2.gz YENLIVGTCWYDMM-ZWKOTPCHSA-N 1 3 346.519 2.570 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccco1 ZINC000418171801 312339547 /nfs/dbraw/zinc/33/95/47/312339547.db2.gz VSXNULUNSMRWJS-YHUYYLMFSA-N 1 3 336.480 2.526 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000418171802 312339641 /nfs/dbraw/zinc/33/96/41/312339641.db2.gz VSXNULUNSMRWJS-ZJIFWQFVSA-N 1 3 336.480 2.526 20 0 EFADHO C[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)[C@@H](c1ccccc1)N(C)C ZINC000418183725 312341529 /nfs/dbraw/zinc/34/15/29/312341529.db2.gz OUOHNGXTTBNNBD-JQHSSLGASA-N 1 3 332.492 2.509 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NCC[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000418184041 312341716 /nfs/dbraw/zinc/34/17/16/312341716.db2.gz PKWXKMGSWDTZJV-XJKSGUPXSA-N 1 3 340.899 2.759 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C ZINC000418182951 312341757 /nfs/dbraw/zinc/34/17/57/312341757.db2.gz NNRRUNUZNQVTGC-DOTOQJQBSA-N 1 3 334.508 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)N(C)C ZINC000418183348 312341844 /nfs/dbraw/zinc/34/18/44/312341844.db2.gz OKFMWQNIKQXYBZ-DWRORGKVSA-N 1 3 346.519 2.803 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)N(C)C ZINC000418184149 312342060 /nfs/dbraw/zinc/34/20/60/312342060.db2.gz PMDOXISJQDJVEJ-NTDBWNAOSA-N 1 3 346.519 2.755 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC000418184815 312342198 /nfs/dbraw/zinc/34/21/98/312342198.db2.gz ADGILRPTYYXTMM-GOSISDBHSA-N 1 3 334.508 2.526 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])N(C)C)cc1 ZINC000418188206 312342758 /nfs/dbraw/zinc/34/27/58/312342758.db2.gz GADAIYVWHLYBTR-MAUKXSAKSA-N 1 3 334.508 2.524 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000418188790 312343272 /nfs/dbraw/zinc/34/32/72/312343272.db2.gz URVDXZJAFCXTLS-ZIFCJYIRSA-N 1 3 346.519 2.627 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)N(C)C)cc1 ZINC000418191652 312343991 /nfs/dbraw/zinc/34/39/91/312343991.db2.gz LCLZGPRQXWZGRZ-OALUTQOASA-N 1 3 346.519 2.524 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000418192811 312344194 /nfs/dbraw/zinc/34/41/94/312344194.db2.gz YWPWCGSIZFKKTK-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418192853 312344245 /nfs/dbraw/zinc/34/42/45/312344245.db2.gz ZATLEZUEFGUVQP-AOIWGVFYSA-N 1 3 346.519 2.675 20 0 EFADHO CCCN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000418192812 312344344 /nfs/dbraw/zinc/34/43/44/312344344.db2.gz YWPWCGSIZFKKTK-LPHOPBHVSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000418193356 312344364 /nfs/dbraw/zinc/34/43/64/312344364.db2.gz ZLBDXSGTADQHPP-NTDBWNAOSA-N 1 3 346.519 2.674 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H](CC[NH3+])C1)N(C)C ZINC000418193731 312344379 /nfs/dbraw/zinc/34/43/79/312344379.db2.gz ZQUJOPDHUZXVNQ-LNLFQRSKSA-N 1 3 346.519 2.757 20 0 EFADHO CCCN(C(=O)N[C@@H](CC(C)C)CN1CCCC1)C1CC[NH2+]CC1 ZINC000418238009 312352332 /nfs/dbraw/zinc/35/23/32/312352332.db2.gz OOBILLBECMDHDX-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO CCCN(C(=O)NCCC[NH2+]C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418278442 312356103 /nfs/dbraw/zinc/35/61/03/312356103.db2.gz MAICMHARVZJRSD-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000418297842 312358359 /nfs/dbraw/zinc/35/83/59/312358359.db2.gz OWPQNLCIMFJYMN-QGZVFWFLSA-N 1 3 332.492 2.771 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342383 312362418 /nfs/dbraw/zinc/36/24/18/312362418.db2.gz PIBQTXFEQFTYEI-LCLWPZTBSA-N 1 3 343.515 2.616 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342889 312362549 /nfs/dbraw/zinc/36/25/49/312362549.db2.gz QKDROFJUIXUFQV-CAMMJAKZSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000420344422 312362735 /nfs/dbraw/zinc/36/27/35/312362735.db2.gz SVZGHNUUYGNPHK-BHYGNILZSA-N 1 3 349.906 2.839 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000420343920 312362793 /nfs/dbraw/zinc/36/27/93/312362793.db2.gz SAWBGCMOAWBALN-SRABZTEZSA-N 1 3 349.906 2.837 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420344225 312363144 /nfs/dbraw/zinc/36/31/44/312363144.db2.gz SECJXROESJJECK-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000420768478 312386715 /nfs/dbraw/zinc/38/67/15/312386715.db2.gz HVTMHKUNOYODQK-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC2CCC([NH+](C)C)CC2)N(C)C)cc1 ZINC000420792305 312391489 /nfs/dbraw/zinc/39/14/89/312391489.db2.gz JUZDGWJLWJDAHB-ACBHZAAOSA-N 1 3 346.519 2.770 20 0 EFADHO Fc1ccc2[nH]cc(CCCN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000423109478 312412046 /nfs/dbraw/zinc/41/20/46/312412046.db2.gz HFGVXDZGTIWHTO-WSTZPKSXSA-N 1 3 345.462 2.986 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000423348152 312414244 /nfs/dbraw/zinc/41/42/44/312414244.db2.gz RWDBIIYMSAUDFB-FQEVSTJZSA-N 1 3 339.483 2.790 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)N2CCCC2)cc1 ZINC000423354800 312414590 /nfs/dbraw/zinc/41/45/90/312414590.db2.gz HBBTXWAIYZTIBE-UHOSZYNNSA-N 1 3 329.488 2.636 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423371043 312416779 /nfs/dbraw/zinc/41/67/79/312416779.db2.gz AEYKKCVTJRGYTD-GJZGRUSLSA-N 1 3 347.812 2.753 20 0 EFADHO CCOc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423394231 312419253 /nfs/dbraw/zinc/41/92/53/312419253.db2.gz RSLXIUMPCSAQPC-BBRMVZONSA-N 1 3 345.409 2.572 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423757736 312449434 /nfs/dbraw/zinc/44/94/34/312449434.db2.gz JCVQFRDWPHEGKW-RBUKOAKNSA-N 1 3 335.536 2.593 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423773699 312451696 /nfs/dbraw/zinc/45/16/96/312451696.db2.gz MHVWHABZRUFPHX-UHFFFAOYSA-N 1 3 337.533 2.938 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000424069780 312506967 /nfs/dbraw/zinc/50/69/67/312506967.db2.gz CFEPKXBQVNJSNK-HXUWFJFHSA-N 1 3 349.478 2.815 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048624 313062104 /nfs/dbraw/zinc/06/21/04/313062104.db2.gz OLLFVMKNCYQTEK-RTBURBONSA-N 1 3 346.519 2.722 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000458048624 313062107 /nfs/dbraw/zinc/06/21/07/313062107.db2.gz OLLFVMKNCYQTEK-RTBURBONSA-N 1 3 346.519 2.722 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000458220068 313086043 /nfs/dbraw/zinc/08/60/43/313086043.db2.gz ISLPDETUQYDKPH-AWEZNQCLSA-N 1 3 325.522 2.805 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000462452819 313114218 /nfs/dbraw/zinc/11/42/18/313114218.db2.gz AVAIYOATGYQEHD-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCC4(CCC4)C3)CC2)CC1 ZINC000471766446 313157643 /nfs/dbraw/zinc/15/76/43/313157643.db2.gz ATPZWPOMSXKPBW-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO Cn1cc(CC[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cn1 ZINC000471866110 313168009 /nfs/dbraw/zinc/16/80/09/313168009.db2.gz QAOFIJBCDXPEDD-UXHICEINSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CC[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)cn1 ZINC000471866110 313168011 /nfs/dbraw/zinc/16/80/11/313168011.db2.gz QAOFIJBCDXPEDD-UXHICEINSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CCN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471866110 313168012 /nfs/dbraw/zinc/16/80/12/313168012.db2.gz QAOFIJBCDXPEDD-UXHICEINSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CC[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cn1 ZINC000471866109 313168037 /nfs/dbraw/zinc/16/80/37/313168037.db2.gz QAOFIJBCDXPEDD-PMACEKPBSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CC[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cn1 ZINC000471866109 313168039 /nfs/dbraw/zinc/16/80/39/313168039.db2.gz QAOFIJBCDXPEDD-PMACEKPBSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1cc(CCN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471866109 313168042 /nfs/dbraw/zinc/16/80/42/313168042.db2.gz QAOFIJBCDXPEDD-PMACEKPBSA-N 1 3 326.488 2.635 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473281505 313197326 /nfs/dbraw/zinc/19/73/26/313197326.db2.gz ZOTBXEOBLMGLTB-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473281505 313197328 /nfs/dbraw/zinc/19/73/28/313197328.db2.gz ZOTBXEOBLMGLTB-YRWFTTLQSA-N 1 3 331.504 2.601 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000475034431 313214731 /nfs/dbraw/zinc/21/47/31/313214731.db2.gz VLEBVXWXSYIPNC-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000475034431 313214735 /nfs/dbraw/zinc/21/47/35/313214735.db2.gz VLEBVXWXSYIPNC-QZTJIDSGSA-N 1 3 331.504 2.916 20 0 EFADHO CC1CCN(C(=[NH2+])NCc2ccc(OCCN3CCCC3)cc2)CC1 ZINC000479288674 313264161 /nfs/dbraw/zinc/26/41/61/313264161.db2.gz XQWUHRAZJUVFFW-UHFFFAOYSA-N 1 3 344.503 2.917 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000479318614 313265102 /nfs/dbraw/zinc/26/51/02/313265102.db2.gz SGUVAVFQQMOKJZ-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000479318614 313265103 /nfs/dbraw/zinc/26/51/03/313265103.db2.gz SGUVAVFQQMOKJZ-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479347415 313266080 /nfs/dbraw/zinc/26/60/80/313266080.db2.gz QSXKOVFIXIDPJD-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)N(C)C ZINC000479347415 313266083 /nfs/dbraw/zinc/26/60/83/313266083.db2.gz QSXKOVFIXIDPJD-ZIFCJYIRSA-N 1 3 346.519 2.709 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCCCC2)[C@H](C)C1 ZINC000480088649 313279079 /nfs/dbraw/zinc/27/90/79/313279079.db2.gz IRRPUCMBTJZPOV-MOPGFXCFSA-N 1 3 339.568 2.978 20 0 EFADHO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000481188332 313288650 /nfs/dbraw/zinc/28/86/50/313288650.db2.gz HFHYJACZKGMHQV-BHIYHBOVSA-N 1 3 331.504 2.964 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCN(C2CCCCC2)CC1)C(C)C ZINC000485462915 313328164 /nfs/dbraw/zinc/32/81/64/313328164.db2.gz IQBMZRZKUIQETA-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000486089872 313334078 /nfs/dbraw/zinc/33/40/78/313334078.db2.gz FGNWPEWSLBSFRD-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCN(C2CCCCC2)CC1 ZINC000486089872 313334081 /nfs/dbraw/zinc/33/40/81/313334081.db2.gz FGNWPEWSLBSFRD-KRWDZBQOSA-N 1 3 348.535 2.663 20 0 EFADHO CCOc1c(Cl)cccc1CNCCN1CCC([NH+](C)C)CC1 ZINC000487300004 313383554 /nfs/dbraw/zinc/38/35/54/313383554.db2.gz MZEUHJKWFHHIJX-UHFFFAOYSA-N 1 3 339.911 2.854 20 0 EFADHO C[C@H](NCC1CC[NH+](C)CC1)c1cnccc1NC(=O)OC(C)(C)C ZINC000492773220 314119497 /nfs/dbraw/zinc/11/94/97/314119497.db2.gz SCHLUZBKKIQYTJ-AWEZNQCLSA-N 1 3 348.491 2.843 20 0 EFADHO C[NH+](C)C/C=C\C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000492855777 314152438 /nfs/dbraw/zinc/15/24/38/314152438.db2.gz HCDHFEAXZFZQGK-YFWYWMRJSA-N 1 3 329.488 2.521 20 0 EFADHO CC1CCN([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2ccccc2)CC1 ZINC000492972230 314197001 /nfs/dbraw/zinc/19/70/01/314197001.db2.gz JIBHJKPGORMAJB-VQFGERMISA-N 1 3 329.488 2.694 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)OC)CC1 ZINC000494522737 314599487 /nfs/dbraw/zinc/59/94/87/314599487.db2.gz LGQZKPZKFLHXDC-NVXWUHKLSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494637532 314616238 /nfs/dbraw/zinc/61/62/38/314616238.db2.gz LRFGZHJUGQEOHE-AEFFLSMTSA-N 1 3 329.488 2.860 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]1)NCc1ccccc1CN1CCCCC1 ZINC000494704782 314627151 /nfs/dbraw/zinc/62/71/51/314627151.db2.gz UAEKRTPYZBUGBB-LJQANCHMSA-N 1 3 329.488 2.821 20 0 EFADHO COC(=O)N1CCC([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000496140332 314958278 /nfs/dbraw/zinc/95/82/78/314958278.db2.gz IGGRUHJDAHVMQN-OAHLLOKOSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCCCN1C ZINC000496289065 315013481 /nfs/dbraw/zinc/01/34/81/315013481.db2.gz CKAXSPTUDJIAOE-XHSDSOJGSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCCCN1C ZINC000496289065 315013484 /nfs/dbraw/zinc/01/34/84/315013484.db2.gz CKAXSPTUDJIAOE-XHSDSOJGSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](NC[C@@]3(C)CC[NH2+]C3)C[C@@H]2C1 ZINC000496354592 315037722 /nfs/dbraw/zinc/03/77/22/315037722.db2.gz CEGUAQDKHLREMX-NNFUDEMPSA-N 1 3 337.508 2.611 20 0 EFADHO C[C@@H](N)C[C@@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496471581 315078252 /nfs/dbraw/zinc/07/82/52/315078252.db2.gz MDVGIYKQSDGTKG-HZPDHXFCSA-N 1 3 333.476 2.751 20 0 EFADHO COC(=O)N1CCC([C@H](C)N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000496480493 315081978 /nfs/dbraw/zinc/08/19/78/315081978.db2.gz LADMKLUUBGPJKU-HLLBOEOZSA-N 1 3 325.497 2.754 20 0 EFADHO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000496518291 315096565 /nfs/dbraw/zinc/09/65/65/315096565.db2.gz JCXAVRAEYCBGJZ-HZPDHXFCSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000496547037 315106188 /nfs/dbraw/zinc/10/61/88/315106188.db2.gz DLCYGDBBGUSSHG-CABCVRRESA-N 1 3 325.497 2.563 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496783015 315194663 /nfs/dbraw/zinc/19/46/63/315194663.db2.gz CNVMBGFEIJNKJM-GVDBMIGSSA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496783015 315194667 /nfs/dbraw/zinc/19/46/67/315194667.db2.gz CNVMBGFEIJNKJM-GVDBMIGSSA-N 1 3 337.508 2.802 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825898 315210072 /nfs/dbraw/zinc/21/00/72/315210072.db2.gz CVMAWBCANQWXKK-GOEBONIOSA-N 1 3 337.508 2.848 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825898 315210074 /nfs/dbraw/zinc/21/00/74/315210074.db2.gz CVMAWBCANQWXKK-GOEBONIOSA-N 1 3 337.508 2.848 20 0 EFADHO CC[NH+]1CCC(NC[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000496868651 315225787 /nfs/dbraw/zinc/22/57/87/315225787.db2.gz BCUOEPMYTMEBBI-INIZCTEOSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)C1 ZINC000496986253 315267973 /nfs/dbraw/zinc/26/79/73/315267973.db2.gz OLXZDMJNMFGJEZ-HOTGVXAUSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000496986253 315267976 /nfs/dbraw/zinc/26/79/76/315267976.db2.gz OLXZDMJNMFGJEZ-HOTGVXAUSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497085072 315303526 /nfs/dbraw/zinc/30/35/26/315303526.db2.gz WPLFIZGMIZCGFN-QGZVFWFLSA-N 1 3 333.476 2.960 20 0 EFADHO CN(CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085913 315304200 /nfs/dbraw/zinc/30/42/00/315304200.db2.gz ZQDJRICLNWIJNQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085913 315304202 /nfs/dbraw/zinc/30/42/02/315304202.db2.gz ZQDJRICLNWIJNQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085913 315304205 /nfs/dbraw/zinc/30/42/05/315304205.db2.gz ZQDJRICLNWIJNQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085913 315304209 /nfs/dbraw/zinc/30/42/09/315304209.db2.gz ZQDJRICLNWIJNQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CCN1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128087 315319586 /nfs/dbraw/zinc/31/95/86/315319586.db2.gz ILKMMZLAMSCYBT-VQIMIIECSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@@H]1C[C@H](N)CC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128087 315319589 /nfs/dbraw/zinc/31/95/89/315319589.db2.gz ILKMMZLAMSCYBT-VQIMIIECSA-N 1 3 345.487 2.847 20 0 EFADHO C[C@@H]1C[C@H](N)CC[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000497128087 315319592 /nfs/dbraw/zinc/31/95/92/315319592.db2.gz ILKMMZLAMSCYBT-VQIMIIECSA-N 1 3 345.487 2.847 20 0 EFADHO CC(C)C[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173560 315337407 /nfs/dbraw/zinc/33/74/07/315337407.db2.gz VMEHCULKORUFBY-HOTGVXAUSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173560 315337408 /nfs/dbraw/zinc/33/74/08/315337408.db2.gz VMEHCULKORUFBY-HOTGVXAUSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173560 315337409 /nfs/dbraw/zinc/33/74/09/315337409.db2.gz VMEHCULKORUFBY-HOTGVXAUSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173562 315337439 /nfs/dbraw/zinc/33/74/39/315337439.db2.gz VMEHCULKORUFBY-JKSUJKDBSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173562 315337441 /nfs/dbraw/zinc/33/74/41/315337441.db2.gz VMEHCULKORUFBY-JKSUJKDBSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)C[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)NC(=O)OC(C)(C)C ZINC000497173562 315337442 /nfs/dbraw/zinc/33/74/42/315337442.db2.gz VMEHCULKORUFBY-JKSUJKDBSA-N 1 3 339.524 3.000 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000499126489 315409961 /nfs/dbraw/zinc/40/99/61/315409961.db2.gz LLJQOLCZVPGYTD-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H](C)C1 ZINC000516682817 315697360 /nfs/dbraw/zinc/69/73/60/315697360.db2.gz LRFIKMDYEKPNQI-LFGUQSLTSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000517099749 315739273 /nfs/dbraw/zinc/73/92/73/315739273.db2.gz CLAGAVKGKLTDAJ-MRXNPFEDSA-N 1 3 344.503 2.653 20 0 EFADHO Cc1c([C@@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000517229805 315747712 /nfs/dbraw/zinc/74/77/12/315747712.db2.gz OXLHLHGORADNEG-TZMCWYRMSA-N 1 3 333.867 2.879 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N(C)C)cc1 ZINC000517340604 315756040 /nfs/dbraw/zinc/75/60/40/315756040.db2.gz UUHGVMSQYVVUMP-SFHVURJKSA-N 1 3 334.508 2.539 20 0 EFADHO CS(=O)(=O)c1ccc(CN[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000518130902 315797726 /nfs/dbraw/zinc/79/77/26/315797726.db2.gz FLGIHRWORWWLSS-GOSISDBHSA-N 1 3 332.469 2.660 20 0 EFADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000519157870 315847908 /nfs/dbraw/zinc/84/79/08/315847908.db2.gz NDMPZMKDHOZRNY-QAPCUYQASA-N 1 3 349.906 2.762 20 0 EFADHO O=C(CC[NH2+]CC1CCN(c2ccncc2)CC1)Nc1ccccc1 ZINC000521426470 316022593 /nfs/dbraw/zinc/02/25/93/316022593.db2.gz CVNQQLOIJUVUMY-UHFFFAOYSA-N 1 3 338.455 2.916 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000522455196 316091237 /nfs/dbraw/zinc/09/12/37/316091237.db2.gz VRRQILYWYPVVDJ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1)C(C)C ZINC000524719923 316168677 /nfs/dbraw/zinc/16/86/77/316168677.db2.gz QLKITNKBLNHNGK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN2CC[C@H](C)C2)cc1)C(C)C ZINC000524719923 316168679 /nfs/dbraw/zinc/16/86/79/316168679.db2.gz QLKITNKBLNHNGK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)Cc1ccccc1 ZINC000525484854 316216567 /nfs/dbraw/zinc/21/65/67/316216567.db2.gz UTGVABXYKGWDAU-GGPKGHCWSA-N 1 3 345.531 2.929 20 0 EFADHO c1cc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cs1 ZINC000527361446 316373543 /nfs/dbraw/zinc/37/35/43/316373543.db2.gz KPUIQTKOCDKOEU-CQSZACIVSA-N 1 3 346.500 2.729 20 0 EFADHO COc1ccc([C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C2CC2)cn1 ZINC000528851262 316738422 /nfs/dbraw/zinc/73/84/22/316738422.db2.gz LVLKMABUWARNES-HXUWFJFHSA-N 1 3 346.519 2.547 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000530028212 317031015 /nfs/dbraw/zinc/03/10/15/317031015.db2.gz PSJZCUVUMOKQCR-AZUAARDMSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530028212 317031020 /nfs/dbraw/zinc/03/10/20/317031020.db2.gz PSJZCUVUMOKQCR-AZUAARDMSA-N 1 3 341.499 2.642 20 0 EFADHO COCCC1CCN([C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000530212060 317081668 /nfs/dbraw/zinc/08/16/68/317081668.db2.gz OEKDIJBUWZBVIB-UYAOXDASSA-N 1 3 330.472 2.991 20 0 EFADHO C[C@@H]([C@@H]1CC[NH2+]C1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530213716 317081908 /nfs/dbraw/zinc/08/19/08/317081908.db2.gz VPLXIZCQAZARTC-WMLDXEAASA-N 1 3 332.492 2.980 20 0 EFADHO CO[C@H](CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000530224965 317085186 /nfs/dbraw/zinc/08/51/86/317085186.db2.gz NJHLGTRSQPSYRL-GUDVDZBRSA-N 1 3 336.451 2.732 20 0 EFADHO CO[C@H](CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000530226169 317085208 /nfs/dbraw/zinc/08/52/08/317085208.db2.gz QGLRQYCMXWJDMD-GUDVDZBRSA-N 1 3 336.451 2.732 20 0 EFADHO CCCN1CCN(c2ccccc2CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530245352 317090349 /nfs/dbraw/zinc/09/03/49/317090349.db2.gz WLSSZVHFDCMQGK-HXUWFJFHSA-N 1 3 342.531 2.593 20 0 EFADHO CC(C)Cc1ncc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248866 317091521 /nfs/dbraw/zinc/09/15/21/317091521.db2.gz RBIIRMDXANVSKE-INIZCTEOSA-N 1 3 337.533 2.932 20 0 EFADHO CC[C@H]([NH2+]CCc1ccc(OCCN(C)C)cc1)C1CCOCC1 ZINC000531959348 317336420 /nfs/dbraw/zinc/33/64/20/317336420.db2.gz WREBZWAZIIHNKX-FQEVSTJZSA-N 1 3 334.504 2.964 20 0 EFADHO CC[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CCOCC1 ZINC000532249877 317374993 /nfs/dbraw/zinc/37/49/93/317374993.db2.gz SMDUSMCTVSRQKJ-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO Cc1ccc(-c2ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)s2)o1 ZINC000542908789 317833254 /nfs/dbraw/zinc/83/32/54/317833254.db2.gz VLISGHBRVORCEN-UHFFFAOYSA-N 1 3 349.500 2.882 20 0 EFADHO CCc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc1Cl ZINC000548776167 318142694 /nfs/dbraw/zinc/14/26/94/318142694.db2.gz PXNQUZPFYHWUPY-UHFFFAOYSA-N 1 3 340.899 2.860 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)CC1 ZINC000548915795 318157034 /nfs/dbraw/zinc/15/70/34/318157034.db2.gz TWPHOHRQOGHEKA-LJQANCHMSA-N 1 3 349.563 2.828 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000552047056 318239907 /nfs/dbraw/zinc/23/99/07/318239907.db2.gz YQSHPUPXORJSFU-CRAIPNDOSA-N 1 3 340.458 2.968 20 0 EFADHO O=C(C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)NCCN1CCCCCC1 ZINC000552064607 318240866 /nfs/dbraw/zinc/24/08/66/318240866.db2.gz BBBKWTLXOYTTDL-PMACEKPBSA-N 1 3 343.515 2.905 20 0 EFADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000552098411 318242359 /nfs/dbraw/zinc/24/23/59/318242359.db2.gz BRUBWHVEHCQHTK-CEXWTWQISA-N 1 3 325.541 2.587 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCCN2CCN(C)CC2)c(C)c1OC ZINC000552225199 318249296 /nfs/dbraw/zinc/24/92/96/318249296.db2.gz DHEPJSKCJLQNIT-KRWDZBQOSA-N 1 3 349.519 2.690 20 0 EFADHO COc1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)cc1 ZINC000552370036 318253695 /nfs/dbraw/zinc/25/36/95/318253695.db2.gz QBYNGMHIVDQEEZ-IBGZPJMESA-N 1 3 347.503 2.680 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000552965216 318267174 /nfs/dbraw/zinc/26/71/74/318267174.db2.gz TYPWFHLPZRDUMQ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]3C(C)C)CC2)CC1 ZINC000553051489 318269612 /nfs/dbraw/zinc/26/96/12/318269612.db2.gz PTCUIAZTZAIGGZ-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000553158167 318272560 /nfs/dbraw/zinc/27/25/60/318272560.db2.gz NZBIKGVUODCFDB-XLIONFOSSA-N 1 3 347.547 2.974 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CC1 ZINC000553177449 318273406 /nfs/dbraw/zinc/27/34/06/318273406.db2.gz CBLSBNCZGLQEFB-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC4(CCC4)C3)CC2)CC1 ZINC000553239931 318276470 /nfs/dbraw/zinc/27/64/70/318276470.db2.gz ZRPPORZEPVKAKD-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)Cc3ccoc3C)CC2)CC1 ZINC000553374496 318281013 /nfs/dbraw/zinc/28/10/13/318281013.db2.gz VBRCAPJNRGDUSK-UHFFFAOYSA-N 1 3 347.503 2.743 20 0 EFADHO CC[C@H]1[C@@H](C)CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553556973 318287095 /nfs/dbraw/zinc/28/70/95/318287095.db2.gz PZBWPYFYCACQJN-LPHOPBHVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)Cc1ccc(-c2ccccc2CNC(=O)CCC[NH3+])cc1 ZINC000553965337 318297911 /nfs/dbraw/zinc/29/79/11/318297911.db2.gz VZHJFRPKPRBJOU-UHFFFAOYSA-N 1 3 325.456 2.770 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000554450188 318313342 /nfs/dbraw/zinc/31/33/42/318313342.db2.gz UWNINNPHVSYWRM-UHFFFAOYSA-N 1 3 338.540 2.813 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1)N(C)C ZINC000554485280 318315560 /nfs/dbraw/zinc/31/55/60/318315560.db2.gz QBWJWWYJPUCCIK-LMMKCTJWSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)C1)N(C)C ZINC000554485280 318315563 /nfs/dbraw/zinc/31/55/63/318315563.db2.gz QBWJWWYJPUCCIK-LMMKCTJWSA-N 1 3 346.519 2.627 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000554881588 318339069 /nfs/dbraw/zinc/33/90/69/318339069.db2.gz AKAVONGFRKGDPS-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000554881588 318339072 /nfs/dbraw/zinc/33/90/72/318339072.db2.gz AKAVONGFRKGDPS-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000554881588 318339075 /nfs/dbraw/zinc/33/90/75/318339075.db2.gz AKAVONGFRKGDPS-JKSUJKDBSA-N 1 3 333.476 2.732 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)N1CCCCC1 ZINC000555536052 318359920 /nfs/dbraw/zinc/35/99/20/318359920.db2.gz UGSLHBFCCMOWRZ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)N1CCCCC1 ZINC000555536052 318359922 /nfs/dbraw/zinc/35/99/22/318359922.db2.gz UGSLHBFCCMOWRZ-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C(C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)C ZINC000556385505 318389013 /nfs/dbraw/zinc/38/90/13/318389013.db2.gz JOVLDZXYGDWLLS-UHFFFAOYSA-N 1 3 333.520 2.996 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000556609358 318395029 /nfs/dbraw/zinc/39/50/29/318395029.db2.gz RRAVASMKWKSXQT-QFBILLFUSA-N 1 3 332.488 2.869 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556685825 318398817 /nfs/dbraw/zinc/39/88/17/318398817.db2.gz HTEUMXCGKGLQPH-FGTMMUONSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556685825 318398819 /nfs/dbraw/zinc/39/88/19/318398819.db2.gz HTEUMXCGKGLQPH-FGTMMUONSA-N 1 3 337.552 2.932 20 0 EFADHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)oc2c1c(C)ccc2C ZINC000556690215 318399074 /nfs/dbraw/zinc/39/90/74/318399074.db2.gz NEHZWVULUOTOKG-UHFFFAOYSA-N 1 3 345.487 2.923 20 0 EFADHO COc1cc([C@@H](C)NCc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000559895118 318520831 /nfs/dbraw/zinc/52/08/31/318520831.db2.gz MZCXIBLOMGDHPY-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@H](CNCC(=O)NCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000560547205 318564722 /nfs/dbraw/zinc/56/47/22/318564722.db2.gz ODRWISFEPDQYIE-MRXNPFEDSA-N 1 3 335.467 2.511 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000560814676 318576756 /nfs/dbraw/zinc/57/67/56/318576756.db2.gz HOVTXOAVOJUJHE-CQSZACIVSA-N 1 3 327.428 2.927 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCC[NH2+]C(C)C)N(C)C ZINC000562814823 318704291 /nfs/dbraw/zinc/70/42/91/318704291.db2.gz IGZOPDIZFKKOCI-AEFFLSMTSA-N 1 3 334.508 2.674 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H](N)Cc2ccccc2)C1 ZINC000563061034 318735160 /nfs/dbraw/zinc/73/51/60/318735160.db2.gz VHGZIRAMQHIBIE-QWFCFKBJSA-N 1 3 345.531 2.821 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000563091181 318739548 /nfs/dbraw/zinc/73/95/48/318739548.db2.gz WSKHXUJWQXBGFJ-INIZCTEOSA-N 1 3 344.503 2.503 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cccc(CN2CCCC2)c1 ZINC000563116170 318742375 /nfs/dbraw/zinc/74/23/75/318742375.db2.gz DUNODBGAJCDZCZ-CCZBSFLLSA-N 1 3 327.472 2.528 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000564337809 318855975 /nfs/dbraw/zinc/85/59/75/318855975.db2.gz VBRVKIIXDAWOTQ-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)N(C)C)cc1 ZINC000564337818 318855982 /nfs/dbraw/zinc/85/59/82/318855982.db2.gz VBRVKIIXDAWOTQ-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(C2CCC2)c1 ZINC000564684225 318881511 /nfs/dbraw/zinc/88/15/11/318881511.db2.gz ANXHYDSKHRZDGR-UHFFFAOYSA-N 1 3 332.492 2.911 20 0 EFADHO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000565832521 319006993 /nfs/dbraw/zinc/00/69/93/319006993.db2.gz YOVVKRPDHZXZGQ-YJBOKZPZSA-N 1 3 338.455 2.952 20 0 EFADHO CCN(CC1CCC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000565960832 319018830 /nfs/dbraw/zinc/01/88/30/319018830.db2.gz NWRKECWAKJUAFR-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000566296105 319059201 /nfs/dbraw/zinc/05/92/01/319059201.db2.gz PNYPVIXTYGSTAG-ULQDDVLXSA-N 1 3 331.504 2.572 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566791424 319110467 /nfs/dbraw/zinc/11/04/67/319110467.db2.gz BHDNKGFKPFBPSX-FUHIMQAGSA-N 1 3 334.504 2.652 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000566791424 319110470 /nfs/dbraw/zinc/11/04/70/319110470.db2.gz BHDNKGFKPFBPSX-FUHIMQAGSA-N 1 3 334.504 2.652 20 0 EFADHO C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[C@H](N)c1ccccc1 ZINC000566845608 319115246 /nfs/dbraw/zinc/11/52/46/319115246.db2.gz FIAJCEKRYZDHJA-LRDDRELGSA-N 1 3 344.484 2.885 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000566914358 319121757 /nfs/dbraw/zinc/12/17/57/319121757.db2.gz MKZYIEKIBQWBFR-QAPCUYQASA-N 1 3 347.503 2.677 20 0 EFADHO CCOCC[C@@H](O)CNCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000567042808 319132958 /nfs/dbraw/zinc/13/29/58/319132958.db2.gz XJDLVNNSKNKHKH-HXUWFJFHSA-N 1 3 334.504 2.796 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000567095029 319137744 /nfs/dbraw/zinc/13/77/44/319137744.db2.gz NKYPKEKKIGQIHN-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000567143162 319142751 /nfs/dbraw/zinc/14/27/51/319142751.db2.gz JRMBTOUFOABYLL-AZUAARDMSA-N 1 3 340.471 2.591 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000567143165 319142926 /nfs/dbraw/zinc/14/29/26/319142926.db2.gz JRMBTOUFOABYLL-UYAOXDASSA-N 1 3 340.471 2.591 20 0 EFADHO CN(CCN1CCCC1=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000567331155 319160530 /nfs/dbraw/zinc/16/05/30/319160530.db2.gz QESCUBXEIKOOHI-UHFFFAOYSA-N 1 3 329.488 2.727 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000567343994 319162165 /nfs/dbraw/zinc/16/21/65/319162165.db2.gz MZYIMKFDEGDOPK-JENIJYKNSA-N 1 3 340.446 2.882 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365189 319165076 /nfs/dbraw/zinc/16/50/76/319165076.db2.gz OKJWDVHZTOPJHR-APWZRJJASA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365189 319165078 /nfs/dbraw/zinc/16/50/78/319165078.db2.gz OKJWDVHZTOPJHR-APWZRJJASA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000567365189 319165080 /nfs/dbraw/zinc/16/50/80/319165080.db2.gz OKJWDVHZTOPJHR-APWZRJJASA-N 1 3 328.456 2.621 20 0 EFADHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000567457449 319173159 /nfs/dbraw/zinc/17/31/59/319173159.db2.gz NZWMNEJKVYQTKL-SFTDATJTSA-N 1 3 344.499 2.780 20 0 EFADHO c1ccc(CN2CC[C@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000567457449 319173160 /nfs/dbraw/zinc/17/31/60/319173160.db2.gz NZWMNEJKVYQTKL-SFTDATJTSA-N 1 3 344.499 2.780 20 0 EFADHO CCc1nc2cc(CN[C@@H]3CCOC[C@H]3[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000567639778 319191553 /nfs/dbraw/zinc/19/15/53/319191553.db2.gz WCIWDWBHBAQPQJ-RRQGHBQHSA-N 1 3 342.487 2.776 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000567680665 319196225 /nfs/dbraw/zinc/19/62/25/319196225.db2.gz BLUWCUQNRUWETE-KRWDZBQOSA-N 1 3 340.895 2.790 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000567746495 319206624 /nfs/dbraw/zinc/20/66/24/319206624.db2.gz RMFWAAIDTXJJJL-ARFHVFGLSA-N 1 3 335.517 2.909 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567752267 319207833 /nfs/dbraw/zinc/20/78/33/319207833.db2.gz DNVNAIBUMADXHL-CHWSQXEVSA-N 1 3 339.867 2.845 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000567752267 319207835 /nfs/dbraw/zinc/20/78/35/319207835.db2.gz DNVNAIBUMADXHL-CHWSQXEVSA-N 1 3 339.867 2.845 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000567845401 319216918 /nfs/dbraw/zinc/21/69/18/319216918.db2.gz WTBUCTFYEFMJIN-VDZJLULYSA-N 1 3 347.478 2.671 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cnc(C)s3)CC2)CC1 ZINC000567912510 319224947 /nfs/dbraw/zinc/22/49/47/319224947.db2.gz LCWINVXZINIPNS-UHFFFAOYSA-N 1 3 336.505 2.586 20 0 EFADHO [NH3+]CCCCC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000567910235 319225097 /nfs/dbraw/zinc/22/50/97/319225097.db2.gz JDZHAAUNOBVZPY-UHFFFAOYSA-N 1 3 337.895 2.893 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3C[C@H]3C(C)C)CC2)CC1 ZINC000567914351 319225621 /nfs/dbraw/zinc/22/56/21/319225621.db2.gz RHCFJOYVTXULFQ-HKUYNNGSSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c(C)c1 ZINC000568078231 319244349 /nfs/dbraw/zinc/24/43/49/319244349.db2.gz KHVWBJALHRLXQW-SFHVURJKSA-N 1 3 334.504 2.755 20 0 EFADHO Cc1ccccc1OC[C@H](O)CNCc1ccc(CC[NH+](C)C)cc1 ZINC000568078652 319245063 /nfs/dbraw/zinc/24/50/63/319245063.db2.gz ZKUJPDZOSATNOY-HXUWFJFHSA-N 1 3 342.483 2.629 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000568188374 319255388 /nfs/dbraw/zinc/25/53/88/319255388.db2.gz DVNQSNVLRSKWNY-OHSMVPPVSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000568188374 319255390 /nfs/dbraw/zinc/25/53/90/319255390.db2.gz DVNQSNVLRSKWNY-OHSMVPPVSA-N 1 3 341.499 2.640 20 0 EFADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000568358214 319274004 /nfs/dbraw/zinc/27/40/04/319274004.db2.gz ILYIGVDTNIOINR-OTWHNJEPSA-N 1 3 339.487 2.688 20 0 EFADHO CCc1cccc(OC[C@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000568382316 319277851 /nfs/dbraw/zinc/27/78/51/319277851.db2.gz YWWFJQIQOBXRBI-HXUWFJFHSA-N 1 3 342.483 2.840 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000568414965 319282665 /nfs/dbraw/zinc/28/26/65/319282665.db2.gz AZWMWCQMESFMFW-QCSYZSNVSA-N 1 3 333.451 2.737 20 0 EFADHO OC[C@H](CC1CCCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568499285 319289662 /nfs/dbraw/zinc/28/96/62/319289662.db2.gz CZWBBJFLNMBHSU-HQRMLTQVSA-N 1 3 330.472 2.773 20 0 EFADHO CC[C@@H]1C[C@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568660905 319306928 /nfs/dbraw/zinc/30/69/28/319306928.db2.gz BAXBAXCQYNWDNR-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000568873730 319326993 /nfs/dbraw/zinc/32/69/93/319326993.db2.gz JTKCUKYDPGFRLW-IUODEOHRSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000568873730 319326994 /nfs/dbraw/zinc/32/69/94/319326994.db2.gz JTKCUKYDPGFRLW-IUODEOHRSA-N 1 3 330.394 2.681 20 0 EFADHO [NH3+][C@H]1CCC[C@H](NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000568882179 319328140 /nfs/dbraw/zinc/32/81/40/319328140.db2.gz WFWRAFLEIPEWGI-QWRGUYRKSA-N 1 3 337.773 2.992 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979359 319336735 /nfs/dbraw/zinc/33/67/35/319336735.db2.gz HFHRPUZKAHLHFS-JRBPQWBISA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H](C)C1 ZINC000568979359 319336737 /nfs/dbraw/zinc/33/67/37/319336737.db2.gz HFHRPUZKAHLHFS-JRBPQWBISA-N 1 3 347.547 2.830 20 0 EFADHO C(CC[N@@H+]1CCOC[C@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000569220140 319359429 /nfs/dbraw/zinc/35/94/29/319359429.db2.gz NXFPEZFOOAXOKA-PMACEKPBSA-N 1 3 336.520 2.768 20 0 EFADHO C(CC[N@H+]1CCOC[C@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000569220140 319359431 /nfs/dbraw/zinc/35/94/31/319359431.db2.gz NXFPEZFOOAXOKA-PMACEKPBSA-N 1 3 336.520 2.768 20 0 EFADHO CC[NH2+]CCCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000569334912 319371208 /nfs/dbraw/zinc/37/12/08/319371208.db2.gz UWCSLLBGJUDIJG-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccn4)c3)C2)nn1 ZINC000569453888 319382036 /nfs/dbraw/zinc/38/20/36/319382036.db2.gz RPOGZTJMCRXPQV-LJQANCHMSA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)nn1 ZINC000569453888 319382038 /nfs/dbraw/zinc/38/20/38/319382038.db2.gz RPOGZTJMCRXPQV-LJQANCHMSA-N 1 3 348.454 2.636 20 0 EFADHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000569476556 319384717 /nfs/dbraw/zinc/38/47/17/319384717.db2.gz XXNJEOMBQLBARA-GFCCVEGCSA-N 1 3 331.382 2.964 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@@H](C)C3)CC2)CC1 ZINC000569590263 319395232 /nfs/dbraw/zinc/39/52/32/319395232.db2.gz VPZMSXFMZKFJGJ-SJORKVTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)N1CCCCC1 ZINC000569594212 319395730 /nfs/dbraw/zinc/39/57/30/319395730.db2.gz GERJDIRUTIMZPF-SJORKVTESA-N 1 3 345.487 2.762 20 0 EFADHO Cc1c([C@H](C)NCC2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000569591935 319395829 /nfs/dbraw/zinc/39/58/29/319395829.db2.gz ZBNGPORVUXSZJW-LBPRGKRZSA-N 1 3 333.867 2.879 20 0 EFADHO CC(C)CC[C@@H](O)C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000570322886 319465425 /nfs/dbraw/zinc/46/54/25/319465425.db2.gz OJWCCLIUGOPVDW-HXUWFJFHSA-N 1 3 334.504 2.530 20 0 EFADHO CC1(C)CC[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000570462806 319479649 /nfs/dbraw/zinc/47/96/49/319479649.db2.gz WTLKYAGSQMHGKV-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC000572226147 319648200 /nfs/dbraw/zinc/64/82/00/319648200.db2.gz GIRGAHCCDXTCPJ-YTQUADARSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@@H]3CC(=O)N(C4CC4)C3)CC2)C1 ZINC000576709856 320041322 /nfs/dbraw/zinc/04/13/22/320041322.db2.gz YQYUMYDIRAJQAP-GJYPPUQNSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000577166496 320083162 /nfs/dbraw/zinc/08/31/62/320083162.db2.gz AFSWJBRVLCXBMW-UHFFFAOYSA-N 1 3 326.529 2.623 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527670 320119642 /nfs/dbraw/zinc/11/96/42/320119642.db2.gz RSIRIRHOGHYZKV-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527670 320119645 /nfs/dbraw/zinc/11/96/45/320119645.db2.gz RSIRIRHOGHYZKV-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO c1ccc(C[C@H]2CCC[C@@H]2NCc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000577601885 320125905 /nfs/dbraw/zinc/12/59/05/320125905.db2.gz ALEGRCJGIOENHM-MSOLQXFVSA-N 1 3 339.487 2.773 20 0 EFADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000577602503 320126061 /nfs/dbraw/zinc/12/60/61/320126061.db2.gz CYRUMIASUPUXSO-JKIFEVAISA-N 1 3 328.884 2.708 20 0 EFADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000577602502 320126094 /nfs/dbraw/zinc/12/60/94/320126094.db2.gz CYRUMIASUPUXSO-CPUCHLNUSA-N 1 3 328.884 2.708 20 0 EFADHO O[C@H](CNCc1cccc(C[NH+]2CCCC2)c1)COc1ccccc1 ZINC000577601929 320126121 /nfs/dbraw/zinc/12/61/21/320126121.db2.gz DVQMAWHGWNDRBR-HXUWFJFHSA-N 1 3 340.467 2.812 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@@H](O)COc1ccccc1F)C(C)(C)C ZINC000578006742 320164033 /nfs/dbraw/zinc/16/40/33/320164033.db2.gz REYFMKYJYJCMDC-PBHICJAKSA-N 1 3 326.456 2.521 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)CN1CCCCC1 ZINC000578127441 320176126 /nfs/dbraw/zinc/17/61/26/320176126.db2.gz WAYNZSDKGQLWHR-DLBZAZTESA-N 1 3 345.487 2.619 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC[C@@H](C)N1CCCCC1 ZINC000578500175 320211506 /nfs/dbraw/zinc/21/15/06/320211506.db2.gz OXXBZCNMSYOKDT-RTBURBONSA-N 1 3 334.504 2.897 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(CC)CC ZINC000181467473 323235926 /nfs/dbraw/zinc/23/59/26/323235926.db2.gz CYYJPVFEDHLELY-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCCCCN1CCCCC1 ZINC000182961392 323309444 /nfs/dbraw/zinc/30/94/44/323309444.db2.gz HFXIBGPEKXVXMJ-SJORKVTESA-N 1 3 330.538 2.588 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000183183194 323321674 /nfs/dbraw/zinc/32/16/74/323321674.db2.gz NFMWEEQNMJPCEF-XLIONFOSSA-N 1 3 330.520 2.719 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000183183194 323321677 /nfs/dbraw/zinc/32/16/77/323321677.db2.gz NFMWEEQNMJPCEF-XLIONFOSSA-N 1 3 330.520 2.719 20 0 EFADHO C[C@H]1CSC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000296564048 323557202 /nfs/dbraw/zinc/55/72/02/323557202.db2.gz VMDUFRLESDXNSE-HKUYNNGSSA-N 1 3 333.545 2.930 20 0 EFADHO Cc1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)ccc1I ZINC000579373633 323946091 /nfs/dbraw/zinc/94/60/91/323946091.db2.gz AGWCBLNWXYSART-OLZOCXBDSA-N 1 3 344.240 2.959 20 0 EFADHO CCc1cc(N2CCC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)ncn1 ZINC000579687208 324011776 /nfs/dbraw/zinc/01/17/76/324011776.db2.gz FSADMJKUWKNTBH-CEXWTWQISA-N 1 3 343.519 2.518 20 0 EFADHO C[C@H](CNC[C@H](O)CO[C@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000579701078 324014391 /nfs/dbraw/zinc/01/43/91/324014391.db2.gz VSLJMGBJBAQWHE-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)CN1CCCC1 ZINC000579701078 324014394 /nfs/dbraw/zinc/01/43/94/324014394.db2.gz VSLJMGBJBAQWHE-LMNJBCLMSA-N 1 3 346.515 2.763 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000579706154 324016254 /nfs/dbraw/zinc/01/62/54/324016254.db2.gz ZFVMQCUQQSMMAB-MJGOQNOKSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000579706154 324016255 /nfs/dbraw/zinc/01/62/55/324016255.db2.gz ZFVMQCUQQSMMAB-MJGOQNOKSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000579706152 324016437 /nfs/dbraw/zinc/01/64/37/324016437.db2.gz ZFVMQCUQQSMMAB-HKUYNNGSSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)C1 ZINC000579706152 324016441 /nfs/dbraw/zinc/01/64/41/324016441.db2.gz ZFVMQCUQQSMMAB-HKUYNNGSSA-N 1 3 331.504 2.575 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000579824965 324038743 /nfs/dbraw/zinc/03/87/43/324038743.db2.gz DWDKLQAIMAKPLQ-RBUKOAKNSA-N 1 3 334.504 2.897 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000579941907 324062099 /nfs/dbraw/zinc/06/20/99/324062099.db2.gz LSZLOYWRCSBTND-OYNPSCLESA-N 1 3 345.531 2.802 20 0 EFADHO COC[C@]1(C[NH2+]C2CCN(CC3CC3)CC2)OCCc2ccccc21 ZINC000580015856 324075730 /nfs/dbraw/zinc/07/57/30/324075730.db2.gz FWJJMKZYPKOSAS-NRFANRHFSA-N 1 3 344.499 2.565 20 0 EFADHO CCC[NH+]1CCC(NCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000580151057 324105409 /nfs/dbraw/zinc/10/54/09/324105409.db2.gz WIGGLEWGXBUOLM-UHFFFAOYSA-N 1 3 325.403 2.757 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000580187302 324116246 /nfs/dbraw/zinc/11/62/46/324116246.db2.gz NOOQEHLWVKDAFL-BBWFWOEESA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000580187302 324116251 /nfs/dbraw/zinc/11/62/51/324116251.db2.gz NOOQEHLWVKDAFL-BBWFWOEESA-N 1 3 343.515 2.921 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000580409222 324156525 /nfs/dbraw/zinc/15/65/25/324156525.db2.gz HJAYELZWWKSJKW-QUCCMNQESA-N 1 3 340.471 2.591 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCCC12CCCC2 ZINC000580499423 324172889 /nfs/dbraw/zinc/17/28/89/324172889.db2.gz DFWBFHBFHWQDSN-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000580525320 324179273 /nfs/dbraw/zinc/17/92/73/324179273.db2.gz SWBURJAYTYKQNT-NJDAHSKKSA-N 1 3 338.499 2.995 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000580772082 324232293 /nfs/dbraw/zinc/23/22/93/324232293.db2.gz UEJNQKUNBCTOKS-XYJFISCASA-N 1 3 349.544 2.984 20 0 EFADHO Cc1ccc(CN[C@H]2CCCC[C@H]2C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000580827852 324244386 /nfs/dbraw/zinc/24/43/86/324244386.db2.gz WHMCXEDYOVJLAF-BBRMVZONSA-N 1 3 333.867 2.836 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000581062584 324296754 /nfs/dbraw/zinc/29/67/54/324296754.db2.gz IVHLKFKZNDEBPN-VQTJNVASSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000581061849 324297229 /nfs/dbraw/zinc/29/72/29/324297229.db2.gz RKOOVAOTLKYEHX-SFHVURJKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cc(C)cs3)CC2)CC1 ZINC000581082693 324302747 /nfs/dbraw/zinc/30/27/47/324302747.db2.gz STXUEFYXMJDZBX-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H](C)CN2CCCC2)c1 ZINC000581126436 324310390 /nfs/dbraw/zinc/31/03/90/324310390.db2.gz LSBXJGLVCXIDML-JKSUJKDBSA-N 1 3 340.895 2.710 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231679 324331397 /nfs/dbraw/zinc/33/13/97/324331397.db2.gz AFHJVAHMEGHHBT-CVEARBPZSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231679 324331401 /nfs/dbraw/zinc/33/14/01/324331401.db2.gz AFHJVAHMEGHHBT-CVEARBPZSA-N 1 3 338.517 2.514 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000581231679 324331405 /nfs/dbraw/zinc/33/14/05/324331405.db2.gz AFHJVAHMEGHHBT-CVEARBPZSA-N 1 3 338.517 2.514 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCCc3cncn3C)CC2)C[C@H](C)O1 ZINC000581258296 324338935 /nfs/dbraw/zinc/33/89/35/324338935.db2.gz ABKJIWIMBBDAQX-HDICACEKSA-N 1 3 348.535 2.564 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)C1 ZINC000581380372 324365362 /nfs/dbraw/zinc/36/53/62/324365362.db2.gz RPYYCMVFUCXOKR-FGTMMUONSA-N 1 3 337.895 2.573 20 0 EFADHO C[C@@H]1C[C@H]([NH3+])CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000581437005 324377714 /nfs/dbraw/zinc/37/77/14/324377714.db2.gz UFEBRZKRLFERAK-DGCLKSJQSA-N 1 3 340.265 2.589 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000581476076 324386804 /nfs/dbraw/zinc/38/68/04/324386804.db2.gz HDXMAHSCDRGFAE-UYAOXDASSA-N 1 3 330.520 2.725 20 0 EFADHO c1ccc(-c2noc(CCN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000581479226 324387855 /nfs/dbraw/zinc/38/78/55/324387855.db2.gz LSPGIIBJFLDXHG-IAGOWNOFSA-N 1 3 326.444 2.743 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCc1cnc2c(Cl)cnn2c1 ZINC000582660027 324641786 /nfs/dbraw/zinc/64/17/86/324641786.db2.gz KNPTVLSBMFYTQA-UKRRQHHQSA-N 1 3 335.883 2.826 20 0 EFADHO CCN1CCC(Nc2ncc(C)c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000531014278 448001968 /nfs/dbraw/zinc/00/19/68/448001968.db2.gz JWQYEDQVEJUOAF-UHFFFAOYSA-N 1 3 346.523 2.577 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000101975465 472559319 /nfs/dbraw/zinc/55/93/19/472559319.db2.gz GJFDZOAPFLINDM-HNNXBMFYSA-N 1 3 338.521 2.524 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000101975465 472559324 /nfs/dbraw/zinc/55/93/24/472559324.db2.gz GJFDZOAPFLINDM-HNNXBMFYSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000090178132 472607466 /nfs/dbraw/zinc/60/74/66/472607466.db2.gz ZLHAAKJBFPXBIL-NVXWUHKLSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000124081157 473210656 /nfs/dbraw/zinc/21/06/56/473210656.db2.gz JKMMCVFIOANENM-LJQANCHMSA-N 1 3 343.515 2.540 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CN(C)CC)C2)cc1 ZINC000137748173 473211702 /nfs/dbraw/zinc/21/17/02/473211702.db2.gz KNRWDVKTEZIOSB-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CN(C)CC)C2)cc1 ZINC000137748173 473211706 /nfs/dbraw/zinc/21/17/06/473211706.db2.gz KNRWDVKTEZIOSB-INIZCTEOSA-N 1 3 333.476 2.688 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCN(CC)CC2)C1 ZINC000111801959 473228162 /nfs/dbraw/zinc/22/81/62/473228162.db2.gz KDXZMGNSTAWYNS-MRXNPFEDSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCN(CC)CC2)C1 ZINC000111801959 473228168 /nfs/dbraw/zinc/22/81/68/473228168.db2.gz KDXZMGNSTAWYNS-MRXNPFEDSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000111874945 473233096 /nfs/dbraw/zinc/23/30/96/473233096.db2.gz IGIICQFCRKWHIC-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000124344482 473235493 /nfs/dbraw/zinc/23/54/93/473235493.db2.gz IHVFHPLMVZKEBY-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)C(C)(C)c3ccccc3)CC2)CC1 ZINC000124380554 473239183 /nfs/dbraw/zinc/23/91/83/473239183.db2.gz LRPXJJPOPUICPO-UHFFFAOYSA-N 1 3 343.515 2.639 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)N1CC[C@H](N2CCCC2)C1 ZINC000161618662 473248462 /nfs/dbraw/zinc/24/84/62/473248462.db2.gz KZJSHBISBBZEFI-SFHVURJKSA-N 1 3 336.524 2.522 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161648880 473249861 /nfs/dbraw/zinc/24/98/61/473249861.db2.gz HYFIPRQCYSOBEM-MRXNPFEDSA-N 1 3 331.504 2.516 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]CC2=Cc3ccccc3OC2)C[C@H](C)O1 ZINC000171051821 473264443 /nfs/dbraw/zinc/26/44/43/473264443.db2.gz AMTSHTWQXXQSGB-IRXDYDNUSA-N 1 3 330.472 2.941 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000171050159 473264963 /nfs/dbraw/zinc/26/49/63/473264963.db2.gz SRSMZZZWQWANBQ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000161837954 473268740 /nfs/dbraw/zinc/26/87/40/473268740.db2.gz MTBCNEHAGGRIQL-INIZCTEOSA-N 1 3 325.497 2.752 20 0 EFADHO CS[C@H]1CCCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184989024 473293283 /nfs/dbraw/zinc/29/32/83/473293283.db2.gz UEWVWBZTYOQDFH-ROUUACIJSA-N 1 3 349.544 2.623 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124993860 473337673 /nfs/dbraw/zinc/33/76/73/473337673.db2.gz SNKGSHKXMCHUGC-IEBWSBKVSA-N 1 3 329.488 2.613 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124993860 473337679 /nfs/dbraw/zinc/33/76/79/473337679.db2.gz SNKGSHKXMCHUGC-IEBWSBKVSA-N 1 3 329.488 2.613 20 0 EFADHO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)N(C)C ZINC000125056175 473348511 /nfs/dbraw/zinc/34/85/11/473348511.db2.gz FTCMPTMONLCCDT-LJQANCHMSA-N 1 3 331.504 2.875 20 0 EFADHO CC1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OCCCO1 ZINC000190658550 473351021 /nfs/dbraw/zinc/35/10/21/473351021.db2.gz GBQAEERZWLMFES-GBESFXJTSA-N 1 3 330.472 2.640 20 0 EFADHO CC(C)CCOCC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304035 473358320 /nfs/dbraw/zinc/35/83/20/473358320.db2.gz BFWXZHBLUMIFRY-HDICACEKSA-N 1 3 326.525 2.870 20 0 EFADHO CN(CCOc1ccc(Cl)cc1)CCN(C)C1CC[NH+](C)CC1 ZINC000177383734 473368992 /nfs/dbraw/zinc/36/89/92/473368992.db2.gz NTAXKAPZVPGACO-UHFFFAOYSA-N 1 3 339.911 2.677 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)N1CCCCC1 ZINC000171420417 473383207 /nfs/dbraw/zinc/38/32/07/473383207.db2.gz MPXBLXOZMFTJBI-IBGZPJMESA-N 1 3 331.504 2.875 20 0 EFADHO CN(c1ccccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1)C1CCN(C)CC1 ZINC000622003530 479878080 /nfs/dbraw/zinc/87/80/80/479878080.db2.gz AXLSGTGOCOUCSB-WIYYLYMNSA-N 1 3 342.531 2.530 20 0 EFADHO COC(=O)c1cc(CNCc2ccccc2C[N@H+](C)C(C)C)cn1C ZINC000348147730 475427042 /nfs/dbraw/zinc/42/70/42/475427042.db2.gz XDBUXALARXKUPP-UHFFFAOYSA-N 1 3 343.471 2.942 20 0 EFADHO COC(=O)c1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)cn1C ZINC000348147730 475427051 /nfs/dbraw/zinc/42/70/51/475427051.db2.gz XDBUXALARXKUPP-UHFFFAOYSA-N 1 3 343.471 2.942 20 0 EFADHO COc1ccc([C@@H](CCO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000297691016 475856648 /nfs/dbraw/zinc/85/66/48/475856648.db2.gz PUCLAUWUCJKQAC-HXUWFJFHSA-N 1 3 341.455 2.772 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)N1CCc2ccccc2C1 ZINC000358698659 475868832 /nfs/dbraw/zinc/86/88/32/475868832.db2.gz WSRMRWVCKPCEHU-IMFGXOCKSA-N 1 3 343.515 2.574 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798282 476780585 /nfs/dbraw/zinc/78/05/85/476780585.db2.gz QLYWTSTXMNKLAZ-DCGLDWPTSA-N 1 3 328.859 2.737 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422798282 476780596 /nfs/dbraw/zinc/78/05/96/476780596.db2.gz QLYWTSTXMNKLAZ-DCGLDWPTSA-N 1 3 328.859 2.737 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000422798458 476781944 /nfs/dbraw/zinc/78/19/44/476781944.db2.gz REEWXHZOTJUEEJ-IBGZPJMESA-N 1 3 329.488 2.800 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)cc1 ZINC000628425523 479897933 /nfs/dbraw/zinc/89/79/33/479897933.db2.gz NWDMCUAIPCQDNH-MJGOQNOKSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000628425523 479897935 /nfs/dbraw/zinc/89/79/35/479897935.db2.gz NWDMCUAIPCQDNH-MJGOQNOKSA-N 1 3 334.504 2.964 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000628425523 479897939 /nfs/dbraw/zinc/89/79/39/479897939.db2.gz NWDMCUAIPCQDNH-MJGOQNOKSA-N 1 3 334.504 2.964 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893750 479908430 /nfs/dbraw/zinc/90/84/30/479908430.db2.gz KMONUBFJAKMECO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000619893750 479908436 /nfs/dbraw/zinc/90/84/36/479908436.db2.gz KMONUBFJAKMECO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO Cn1cc(C(C)(C)NCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000608060850 479929968 /nfs/dbraw/zinc/92/99/68/479929968.db2.gz ZDIKGMXFJLMNRI-UHFFFAOYSA-N 1 3 342.487 2.920 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000631196801 479952155 /nfs/dbraw/zinc/95/21/55/479952155.db2.gz VIVZPKMZKLONNX-LPHOPBHVSA-N 1 3 349.482 2.826 20 0 EFADHO COC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000631197311 479954715 /nfs/dbraw/zinc/95/47/15/479954715.db2.gz YSJRQBISFYRTSB-MJGOQNOKSA-N 1 3 332.488 2.540 20 0 EFADHO CN(C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000037324903 472011149 /nfs/dbraw/zinc/01/11/49/472011149.db2.gz XZLZNNHWHVUWNT-UHFFFAOYSA-N 1 3 343.265 2.652 20 0 EFADHO CC(=O)Nc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000067452891 472035845 /nfs/dbraw/zinc/03/58/45/472035845.db2.gz SZEXIISQWYZSGH-HZPDHXFCSA-N 1 3 333.476 2.624 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000067705963 472075746 /nfs/dbraw/zinc/07/57/46/472075746.db2.gz GWMBNPJICHQYSS-KRWDZBQOSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000054761789 472113013 /nfs/dbraw/zinc/11/30/13/472113013.db2.gz DMPXONQBXBMMKR-UHFFFAOYSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000043035052 472191483 /nfs/dbraw/zinc/19/14/83/472191483.db2.gz UTSADVIEIVKMLH-UHFFFAOYSA-N 1 3 346.519 2.860 20 0 EFADHO C[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC000084599651 472197431 /nfs/dbraw/zinc/19/74/31/472197431.db2.gz UAPCUNJLGDZOCO-QGZVFWFLSA-N 1 3 341.499 2.895 20 0 EFADHO CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075886060 472214648 /nfs/dbraw/zinc/21/46/48/472214648.db2.gz NGXDLTDWJMJMAL-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000085360584 472239259 /nfs/dbraw/zinc/23/92/59/472239259.db2.gz OUQJMLSJHTWYRH-SJLPKXTDSA-N 1 3 348.535 2.873 20 0 EFADHO C[C@@H](NC(=O)NC[C@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000085365699 472240447 /nfs/dbraw/zinc/24/04/47/472240447.db2.gz IZAMANDQAKCUJH-NVXWUHKLSA-N 1 3 334.508 2.565 20 0 EFADHO C[C@@H](NC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C1=CCN(C)CC1 ZINC000613376377 479979537 /nfs/dbraw/zinc/97/95/37/479979537.db2.gz SYPIONKHHCBPNR-YLJYHZDGSA-N 1 3 341.499 2.633 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1CCN(C)CC1 ZINC000069203942 472305529 /nfs/dbraw/zinc/30/55/29/472305529.db2.gz DXZUFGKVLYQVBY-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CN1CCC[C@@H](C[NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000044533926 472315411 /nfs/dbraw/zinc/31/54/11/472315411.db2.gz WMAQQRZPRSGDDY-NSHDSACASA-N 1 3 341.249 2.609 20 0 EFADHO Cc1ccc(OC[C@H](O)CN2CCC(CC[NH+](C)C)CC2)c(C)c1 ZINC000056523070 472332197 /nfs/dbraw/zinc/33/21/97/472332197.db2.gz CAWCUJPSUQBMSM-LJQANCHMSA-N 1 3 334.504 2.707 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000030688016 472346325 /nfs/dbraw/zinc/34/63/25/472346325.db2.gz FRCYPDAKXHEOGI-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1C[C@H](NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000128134531 472407162 /nfs/dbraw/zinc/40/71/62/472407162.db2.gz IIIVOAVBJUYGRM-TZMCWYRMSA-N 1 3 327.266 2.900 20 0 EFADHO C[C@@H]1C[C@H](NCCOc2ccc(Br)cc2)CC[N@H+]1C ZINC000128134531 472407167 /nfs/dbraw/zinc/40/71/67/472407167.db2.gz IIIVOAVBJUYGRM-TZMCWYRMSA-N 1 3 327.266 2.900 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000045181947 472379975 /nfs/dbraw/zinc/37/99/75/472379975.db2.gz SYAXLIHFNWTABD-UHFFFAOYSA-N 1 3 346.519 2.814 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000057139570 472384985 /nfs/dbraw/zinc/38/49/85/472384985.db2.gz XPZOGMGWFHUHRW-UHFFFAOYSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000089151696 472390646 /nfs/dbraw/zinc/39/06/46/472390646.db2.gz KUCXJURMYYIGAL-QGZVFWFLSA-N 1 3 339.524 2.953 20 0 EFADHO CCc1ccc([C@H](CC)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128053019 472394622 /nfs/dbraw/zinc/39/46/22/472394622.db2.gz UWYVDWDGLSOGNH-OALUTQOASA-N 1 3 331.504 2.877 20 0 EFADHO CCc1ccc([C@H](CC)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128053019 472394624 /nfs/dbraw/zinc/39/46/24/472394624.db2.gz UWYVDWDGLSOGNH-OALUTQOASA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H]1C[C@@H](NCCOc2ccc(Br)cc2)CC[N@@H+]1C ZINC000128134955 472406972 /nfs/dbraw/zinc/40/69/72/472406972.db2.gz IIIVOAVBJUYGRM-OCCSQVGLSA-N 1 3 327.266 2.900 20 0 EFADHO C[C@@H]1C[C@@H](NCCOc2ccc(Br)cc2)CC[N@H+]1C ZINC000128134955 472406977 /nfs/dbraw/zinc/40/69/77/472406977.db2.gz IIIVOAVBJUYGRM-OCCSQVGLSA-N 1 3 327.266 2.900 20 0 EFADHO C[NH+]1CCC(N(CCO)Cc2cccc(-c3ccccn3)c2)CC1 ZINC000097032504 472415145 /nfs/dbraw/zinc/41/51/45/472415145.db2.gz UTCAJDJCROPHCV-UHFFFAOYSA-N 1 3 325.456 2.637 20 0 EFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1[C@H](C)CC[C@@H]1C ZINC000089461072 472443618 /nfs/dbraw/zinc/44/36/18/472443618.db2.gz PPENAOWOZDUXGL-BBWFWOEESA-N 1 3 344.503 2.676 20 0 EFADHO CCCN(C(=O)C[NH2+]C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000154632253 472454924 /nfs/dbraw/zinc/45/49/24/472454924.db2.gz LTUQVUXZIDKNDF-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000154792944 472472036 /nfs/dbraw/zinc/47/20/36/472472036.db2.gz MCRMGRXMATUANK-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)[C@H](C)C1 ZINC000154960054 472491332 /nfs/dbraw/zinc/49/13/32/472491332.db2.gz VTQMUSDKRCBSID-TZMCWYRMSA-N 1 3 331.382 2.843 20 0 EFADHO Cn1cc(CCN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000077278183 472491411 /nfs/dbraw/zinc/49/14/11/472491411.db2.gz HVISVJKLUXAJCV-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO Cn1cc(CCN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000077278183 472491414 /nfs/dbraw/zinc/49/14/14/472491414.db2.gz HVISVJKLUXAJCV-UHFFFAOYSA-N 1 3 326.488 2.807 20 0 EFADHO C[NH+]1CCC(CNCc2cc(Br)cc3c2OCC3)CC1 ZINC000128774475 472495923 /nfs/dbraw/zinc/49/59/23/472495923.db2.gz BCQVQZQZKHOXKE-UHFFFAOYSA-N 1 3 339.277 2.815 20 0 EFADHO C[C@H](CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098284 472508310 /nfs/dbraw/zinc/50/83/10/472508310.db2.gz SGIBKSMAPPBPHB-HDAAZOAOSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000155098284 472508316 /nfs/dbraw/zinc/50/83/16/472508316.db2.gz SGIBKSMAPPBPHB-HDAAZOAOSA-N 1 3 344.547 2.515 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000089813988 472513319 /nfs/dbraw/zinc/51/33/19/472513319.db2.gz WSJVIRFREFRADV-UWVAXJGDSA-N 1 3 326.484 2.945 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000102005702 472562633 /nfs/dbraw/zinc/56/26/33/472562633.db2.gz HNZDDSWPIVCYMS-QGZVFWFLSA-N 1 3 338.540 2.671 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000155574260 472571793 /nfs/dbraw/zinc/57/17/93/472571793.db2.gz RZPAFYXDDJZYNA-LPHOPBHVSA-N 1 3 347.503 2.525 20 0 EFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000119654196 472572941 /nfs/dbraw/zinc/57/29/41/472572941.db2.gz XSMUVPVZPDDYBS-AWEZNQCLSA-N 1 3 329.444 2.921 20 0 EFADHO CC(=O)NC[C@@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000155635924 472584499 /nfs/dbraw/zinc/58/44/99/472584499.db2.gz WZQHVZWHGHSWNC-FQEVSTJZSA-N 1 3 345.531 2.993 20 0 EFADHO CC(=O)NC[C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000155635924 472584503 /nfs/dbraw/zinc/58/45/03/472584503.db2.gz WZQHVZWHGHSWNC-FQEVSTJZSA-N 1 3 345.531 2.993 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000155687931 472595596 /nfs/dbraw/zinc/59/55/96/472595596.db2.gz VSEJMGJQBXCUBX-MSOLQXFVSA-N 1 3 341.503 2.549 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000155702780 472597963 /nfs/dbraw/zinc/59/79/63/472597963.db2.gz HPGVSAGXKLIMQR-CABCVRRESA-N 1 3 332.517 2.973 20 0 EFADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1Cl ZINC000077753034 472601692 /nfs/dbraw/zinc/60/16/92/472601692.db2.gz ZOYDKSRXHHGWIF-CQSZACIVSA-N 1 3 340.899 2.536 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000155743585 472607653 /nfs/dbraw/zinc/60/76/53/472607653.db2.gz AWHVLVIOAVHUJB-DLBZAZTESA-N 1 3 347.503 2.525 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090231072 472610977 /nfs/dbraw/zinc/61/09/77/472610977.db2.gz FWJWFUSHPSICKS-JKSUJKDBSA-N 1 3 334.460 2.689 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090231072 472610980 /nfs/dbraw/zinc/61/09/80/472610980.db2.gz FWJWFUSHPSICKS-JKSUJKDBSA-N 1 3 334.460 2.689 20 0 EFADHO C[C@H](CC(=O)Nc1ccc(Br)cc1)NCCC[NH+](C)C ZINC000120038111 472620305 /nfs/dbraw/zinc/62/03/05/472620305.db2.gz GGEHFNTWJMONCG-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO Cc1ccccc1[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(C)C ZINC000077827288 472626049 /nfs/dbraw/zinc/62/60/49/472626049.db2.gz OBSBLSJGCULLTF-LJQANCHMSA-N 1 3 348.535 2.827 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000130826540 472630763 /nfs/dbraw/zinc/63/07/63/472630763.db2.gz TXGRIKQYSPILEL-PKOBYXMFSA-N 1 3 331.504 2.838 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000130826540 472630770 /nfs/dbraw/zinc/63/07/70/472630770.db2.gz TXGRIKQYSPILEL-PKOBYXMFSA-N 1 3 331.504 2.838 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000120119642 472635086 /nfs/dbraw/zinc/63/50/86/472635086.db2.gz LTCXUYDFAGASIQ-SJLPKXTDSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)N(C)CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000060368239 472648752 /nfs/dbraw/zinc/64/87/52/472648752.db2.gz URFHXMLBPGCEQC-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO COc1cccc2c1CC[C@H]2NCc1ccnc(OCC[NH+](C)C)c1 ZINC000090937384 472666683 /nfs/dbraw/zinc/66/66/83/472666683.db2.gz FTGAZMFFMFEOCQ-GOSISDBHSA-N 1 3 341.455 2.808 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NCc2cccc(CN(C)C)c2)CC1 ZINC000078323274 472696468 /nfs/dbraw/zinc/69/64/68/472696468.db2.gz AFOABXXIFMJYOU-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)N(C)C ZINC000131899905 472701473 /nfs/dbraw/zinc/70/14/73/472701473.db2.gz HYYPUAHXHCTRGI-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)N(C)C ZINC000131899905 472701477 /nfs/dbraw/zinc/70/14/77/472701477.db2.gz HYYPUAHXHCTRGI-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)CC1CCN(C)CC1)CC(C)C ZINC000078441842 472715166 /nfs/dbraw/zinc/71/51/66/472715166.db2.gz ANUDKKHHMJRZCQ-GOSISDBHSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)[NH+](CCNC(=O)N1CCC[C@H]1CN1CCCCC1)C(C)C ZINC000105075637 472718661 /nfs/dbraw/zinc/71/86/61/472718661.db2.gz HHFDDUUPADKURS-SFHVURJKSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000120619911 472719132 /nfs/dbraw/zinc/71/91/32/472719132.db2.gz YJDKBEGFVWSOFC-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)CC2)cc1 ZINC000120663524 472726777 /nfs/dbraw/zinc/72/67/77/472726777.db2.gz HIRCQRQGWYPNKG-PXNSSMCTSA-N 1 3 345.531 2.980 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc3c2OCCCO3)C[C@H](C)O1 ZINC000062252820 472732603 /nfs/dbraw/zinc/73/26/03/472732603.db2.gz XUPIHFYPWNQHOH-IRXDYDNUSA-N 1 3 348.487 2.827 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000062253061 472732936 /nfs/dbraw/zinc/73/29/36/472732936.db2.gz YGCAZNNXZFQGHK-HOTGVXAUSA-N 1 3 336.476 2.683 20 0 EFADHO CC(CN1CCC2(C1)CCOCC2)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000072898627 472737643 /nfs/dbraw/zinc/73/76/43/472737643.db2.gz FAKWDRGXKPNIGJ-UHFFFAOYSA-N 1 3 336.520 2.628 20 0 EFADHO CC(CN1CCC2(C1)CCOCC2)C[N@H+]1CCC2(C1)CCOCC2 ZINC000072898627 472737648 /nfs/dbraw/zinc/73/76/48/472737648.db2.gz FAKWDRGXKPNIGJ-UHFFFAOYSA-N 1 3 336.520 2.628 20 0 EFADHO COc1ccc([C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000091333546 472756865 /nfs/dbraw/zinc/75/68/65/472756865.db2.gz BOFPKARSDVTEJN-HKUYNNGSSA-N 1 3 347.503 2.569 20 0 EFADHO COc1ccc([C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C(C)C)cc1 ZINC000091333546 472756872 /nfs/dbraw/zinc/75/68/72/472756872.db2.gz BOFPKARSDVTEJN-HKUYNNGSSA-N 1 3 347.503 2.569 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)[C@H](C)C1 ZINC000132980685 472766128 /nfs/dbraw/zinc/76/61/28/472766128.db2.gz YKDKADYTFABQMH-AABGKKOBSA-N 1 3 339.568 2.833 20 0 EFADHO CC[C@H]([NH2+]Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C(C)C ZINC000156934242 472768283 /nfs/dbraw/zinc/76/82/83/472768283.db2.gz BOYNIBOMWMHVOS-OALUTQOASA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)[C@@H](CNC1CCN(Cc2cccnc2)CC1)[NH+]1CCCC1 ZINC000133021047 472769096 /nfs/dbraw/zinc/76/90/96/472769096.db2.gz LDXVYYBDDZUVQX-HXUWFJFHSA-N 1 3 330.520 2.756 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804637 472772186 /nfs/dbraw/zinc/77/21/86/472772186.db2.gz LGFVUSDGMUGHNG-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804637 472772194 /nfs/dbraw/zinc/77/21/94/472772194.db2.gz LGFVUSDGMUGHNG-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO COC1CCN(Cc2cccc(C[NH+]3CCC(OC)CC3)c2)CC1 ZINC000078820049 472775430 /nfs/dbraw/zinc/77/54/30/472775430.db2.gz AHXLGVIUFSPHND-UHFFFAOYSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000063467286 472778513 /nfs/dbraw/zinc/77/85/13/472778513.db2.gz MCHFTDZXZMVXQH-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000063467286 472778520 /nfs/dbraw/zinc/77/85/20/472778520.db2.gz MCHFTDZXZMVXQH-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000063466273 472779241 /nfs/dbraw/zinc/77/92/41/472779241.db2.gz MTTBCXSHODNZDI-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000157091299 472785038 /nfs/dbraw/zinc/78/50/38/472785038.db2.gz INSIGOXNKRKUKJ-WDSOQIARSA-N 1 3 331.504 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N(C)C ZINC000157091299 472785043 /nfs/dbraw/zinc/78/50/43/472785043.db2.gz INSIGOXNKRKUKJ-WDSOQIARSA-N 1 3 331.504 2.742 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000121130108 472803823 /nfs/dbraw/zinc/80/38/23/472803823.db2.gz DGIHGQCIBNSMBI-DLBZAZTESA-N 1 3 349.519 2.628 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000121138040 472804753 /nfs/dbraw/zinc/80/47/53/472804753.db2.gz QCOOMMWVDDUVAF-HUUCEWRRSA-N 1 3 325.447 2.889 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000121175064 472811586 /nfs/dbraw/zinc/81/15/86/472811586.db2.gz VMHIHNGUVQGWQU-CABCVRRESA-N 1 3 325.447 2.889 20 0 EFADHO C[C@H](CCN[C@@H](C)Cn1cc(Br)cn1)[NH+]1CCCCC1 ZINC000157354560 472811835 /nfs/dbraw/zinc/81/18/35/472811835.db2.gz HAVHTPXRNXAZED-UONOGXRCSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)Cn1cc(Br)cn1)N1CCCCC1 ZINC000157354560 472811841 /nfs/dbraw/zinc/81/18/41/472811841.db2.gz HAVHTPXRNXAZED-UONOGXRCSA-N 1 3 343.313 2.888 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000121227956 472819436 /nfs/dbraw/zinc/81/94/36/472819436.db2.gz YPPTXQZBEFRBQH-QZTJIDSGSA-N 1 3 333.520 2.928 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000079121420 472823845 /nfs/dbraw/zinc/82/38/45/472823845.db2.gz QAJAHHSVRURCCP-RBUKOAKNSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H](NCc1ccc(OCC[NH+](C)C)cc1)c1cccc(CO)c1 ZINC000121290497 472830149 /nfs/dbraw/zinc/83/01/49/472830149.db2.gz YNXZUKKECMOYOJ-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000079199288 472832278 /nfs/dbraw/zinc/83/22/78/472832278.db2.gz PELIOFHMAYKITN-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000079265613 472840033 /nfs/dbraw/zinc/84/00/33/472840033.db2.gz KQTVOJSXFCSAJY-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000079265613 472840039 /nfs/dbraw/zinc/84/00/39/472840039.db2.gz KQTVOJSXFCSAJY-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)c1ccc(CC[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000121349284 472840284 /nfs/dbraw/zinc/84/02/84/472840284.db2.gz ZGEZVCHVUALSBT-UHFFFAOYSA-N 1 3 345.531 2.742 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000079269897 472841122 /nfs/dbraw/zinc/84/11/22/472841122.db2.gz QBYODXGSFDLDJW-SFHVURJKSA-N 1 3 338.540 2.530 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000133815949 472843931 /nfs/dbraw/zinc/84/39/31/472843931.db2.gz YHGKJTUZCHRCDN-MJGOQNOKSA-N 1 3 346.519 2.566 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000133815949 472843937 /nfs/dbraw/zinc/84/39/37/472843937.db2.gz YHGKJTUZCHRCDN-MJGOQNOKSA-N 1 3 346.519 2.566 20 0 EFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522600 472859366 /nfs/dbraw/zinc/85/93/66/472859366.db2.gz KXURBQIMZUJPLX-PKOBYXMFSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522600 472859367 /nfs/dbraw/zinc/85/93/67/472859367.db2.gz KXURBQIMZUJPLX-PKOBYXMFSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000106533473 472861938 /nfs/dbraw/zinc/86/19/38/472861938.db2.gz WXDUGFFTBIEOHY-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106533473 472861945 /nfs/dbraw/zinc/86/19/45/472861945.db2.gz WXDUGFFTBIEOHY-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CCOC[C@@H]1CCCN(CCC[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000158165756 472900653 /nfs/dbraw/zinc/90/06/53/472900653.db2.gz UVMFLRZPJOURND-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO CCOC[C@@H]1CCCN(CCC[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000158165756 472900660 /nfs/dbraw/zinc/90/06/60/472900660.db2.gz UVMFLRZPJOURND-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO CCOC[C@@H]1CCC[N@@H+](CCCN2CCC[C@H](COCC)C2)C1 ZINC000158165756 472900665 /nfs/dbraw/zinc/90/06/65/472900665.db2.gz UVMFLRZPJOURND-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO CCOC[C@@H]1CCC[N@H+](CCCN2CCC[C@H](COCC)C2)C1 ZINC000158165756 472900674 /nfs/dbraw/zinc/90/06/74/472900674.db2.gz UVMFLRZPJOURND-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000079689246 472907886 /nfs/dbraw/zinc/90/78/86/472907886.db2.gz UKHRFMUZCPGCKL-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccsc2)CC1 ZINC000092427138 472911683 /nfs/dbraw/zinc/91/16/83/472911683.db2.gz AVQGGUVIRKLSAM-UHFFFAOYSA-N 1 3 337.533 2.664 20 0 EFADHO C[C@H]1CCCCN1C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121801221 472918506 /nfs/dbraw/zinc/91/85/06/472918506.db2.gz JJCHZHDDDYEPTK-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]1 ZINC000134556381 472927581 /nfs/dbraw/zinc/92/75/81/472927581.db2.gz GLVUIZNPJNGPOS-FQEVSTJZSA-N 1 3 329.488 2.821 20 0 EFADHO C[C@@H](C(=O)N1CCCCC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121858248 472931401 /nfs/dbraw/zinc/93/14/01/472931401.db2.gz AFQIXPSKAQBZMI-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC[C@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000134582025 472933303 /nfs/dbraw/zinc/93/33/03/472933303.db2.gz DEHHECSKVHSSLA-CRAIPNDOSA-N 1 3 335.517 2.609 20 0 EFADHO CC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CCC[NH2+]1 ZINC000134583024 472934060 /nfs/dbraw/zinc/93/40/60/472934060.db2.gz KDHFKXYEKSKLCN-ICSRJNTNSA-N 1 3 329.488 2.780 20 0 EFADHO CC[C@]1(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CCC[NH2+]1 ZINC000134611077 472937435 /nfs/dbraw/zinc/93/74/35/472937435.db2.gz VRLXRBIMPBJVBI-QILLFSRXSA-N 1 3 335.517 2.779 20 0 EFADHO CCn1nc(C)c(CN2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000092587220 472943184 /nfs/dbraw/zinc/94/31/84/472943184.db2.gz GGSOEVNAKCBXTG-HZPDHXFCSA-N 1 3 348.535 2.841 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000158648925 472956585 /nfs/dbraw/zinc/95/65/85/472956585.db2.gz IJOLQUVVYGRUIB-GASCZTMLSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CCN(CC(F)(F)F)CC2)C1 ZINC000158648925 472956590 /nfs/dbraw/zinc/95/65/90/472956590.db2.gz IJOLQUVVYGRUIB-GASCZTMLSA-N 1 3 335.458 2.971 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CCN(CC(F)(F)F)CC2)C1 ZINC000158648925 472956594 /nfs/dbraw/zinc/95/65/94/472956594.db2.gz IJOLQUVVYGRUIB-GASCZTMLSA-N 1 3 335.458 2.971 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122001626 472960632 /nfs/dbraw/zinc/96/06/32/472960632.db2.gz VYJWAAPDNSZIAE-HOTGVXAUSA-N 1 3 325.497 2.896 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000074211286 472964018 /nfs/dbraw/zinc/96/40/18/472964018.db2.gz OWNVMOWFUKUFJM-WMZOPIPTSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CCN(C)CC3)cc2)C1 ZINC000074232969 472969127 /nfs/dbraw/zinc/96/91/27/472969127.db2.gz AVPNMEIUGNLVBI-INIZCTEOSA-N 1 3 345.487 2.688 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CCN(C)CC3)cc2)C1 ZINC000074232969 472969132 /nfs/dbraw/zinc/96/91/32/472969132.db2.gz AVPNMEIUGNLVBI-INIZCTEOSA-N 1 3 345.487 2.688 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000158955092 472983169 /nfs/dbraw/zinc/98/31/69/472983169.db2.gz GTZKVCWVEVQMJG-QINHECLXSA-N 1 3 347.503 2.602 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)[C@H](C)C1 ZINC000158955092 472983176 /nfs/dbraw/zinc/98/31/76/472983176.db2.gz GTZKVCWVEVQMJG-QINHECLXSA-N 1 3 347.503 2.602 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000122174151 472985615 /nfs/dbraw/zinc/98/56/15/472985615.db2.gz NWJAPWUXWVYQAG-UHFFFAOYSA-N 1 3 336.524 2.607 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000122174151 472985619 /nfs/dbraw/zinc/98/56/19/472985619.db2.gz NWJAPWUXWVYQAG-UHFFFAOYSA-N 1 3 336.524 2.607 20 0 EFADHO CC(C)CNC(=O)[C@@H](C)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820879 472990972 /nfs/dbraw/zinc/99/09/72/472990972.db2.gz URZBCLURSIZAEW-QGZVFWFLSA-N 1 3 346.519 2.781 20 0 EFADHO C[N@H+](CCOC[C@H]1CCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000092821382 472991838 /nfs/dbraw/zinc/99/18/38/472991838.db2.gz NHUJVISEYJOJOK-HXUWFJFHSA-N 1 3 347.503 2.816 20 0 EFADHO C[N@@H+](CCOC[C@H]1CCCO1)CCC1CCN(c2ccncc2)CC1 ZINC000092821382 472991842 /nfs/dbraw/zinc/99/18/42/472991842.db2.gz NHUJVISEYJOJOK-HXUWFJFHSA-N 1 3 347.503 2.816 20 0 EFADHO CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159027353 472992697 /nfs/dbraw/zinc/99/26/97/472992697.db2.gz NOOUQBOGRIXZBQ-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000074429036 473005758 /nfs/dbraw/zinc/00/57/58/473005758.db2.gz FYXDWXBRMGHAAE-QGZVFWFLSA-N 1 3 347.503 2.967 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159220832 473008880 /nfs/dbraw/zinc/00/88/80/473008880.db2.gz SETDWWUJKHMKEX-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000050801989 473010914 /nfs/dbraw/zinc/01/09/14/473010914.db2.gz MGDMFRJEUHSHCF-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)CCCc3ccccc3)CC2)CC1 ZINC000050798225 473011268 /nfs/dbraw/zinc/01/12/68/473011268.db2.gz LUJQFPGXVJBASY-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO C[NH+]1CCC(N2CCC(Nc3cnc4ccccc4n3)CC2)CC1 ZINC000050954614 473014554 /nfs/dbraw/zinc/01/45/54/473014554.db2.gz KOPFFYZJSAGBPG-UHFFFAOYSA-N 1 3 325.460 2.600 20 0 EFADHO CC(C)N(C)CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000122558383 473029567 /nfs/dbraw/zinc/02/95/67/473029567.db2.gz IYPVKHHOZUTYLR-IAGOWNOFSA-N 1 3 331.504 2.599 20 0 EFADHO CCCCC[C@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051243610 473035446 /nfs/dbraw/zinc/03/54/46/473035446.db2.gz QKKQKQVLRNRAEY-INIZCTEOSA-N 1 3 338.540 2.813 20 0 EFADHO Cc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)c(OCCN(C)C)c1 ZINC000074680349 473047259 /nfs/dbraw/zinc/04/72/59/473047259.db2.gz CJLYASMDDNLVFF-UHFFFAOYSA-N 1 3 347.503 2.994 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000066187956 473056445 /nfs/dbraw/zinc/05/64/45/473056445.db2.gz UBGCNEXKVQQQKV-JENIJYKNSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000066187956 473056453 /nfs/dbraw/zinc/05/64/53/473056453.db2.gz UBGCNEXKVQQQKV-JENIJYKNSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122818065 473062158 /nfs/dbraw/zinc/06/21/58/473062158.db2.gz WUKULELTGMJZMI-MRXNPFEDSA-N 1 3 327.513 3.000 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000122817887 473062284 /nfs/dbraw/zinc/06/22/84/473062284.db2.gz WUKULELTGMJZMI-INIZCTEOSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)CC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051758373 473064440 /nfs/dbraw/zinc/06/44/40/473064440.db2.gz XMLIBOXIECFZAG-MRXNPFEDSA-N 1 3 338.540 2.669 20 0 EFADHO CC(C)OCCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108919140 473065474 /nfs/dbraw/zinc/06/54/74/473065474.db2.gz NYIFKSNVLLBEMP-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCCCCCC3)CC2)CC1 ZINC000051758360 473065462 /nfs/dbraw/zinc/06/54/62/473065462.db2.gz XLIDEETXDHMTNC-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)OCCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108919140 473065478 /nfs/dbraw/zinc/06/54/78/473065478.db2.gz NYIFKSNVLLBEMP-UHFFFAOYSA-N 1 3 333.520 2.551 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCC3=CCCCC3)CC2)CC1 ZINC000051758560 473066154 /nfs/dbraw/zinc/06/61/54/473066154.db2.gz KSFDWRHMKNOIBJ-UHFFFAOYSA-N 1 3 348.535 2.735 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000122852316 473066638 /nfs/dbraw/zinc/06/66/38/473066638.db2.gz NICGVVMGPCAWBD-PMPSAXMXSA-N 1 3 327.513 2.856 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000122852316 473066641 /nfs/dbraw/zinc/06/66/41/473066641.db2.gz NICGVVMGPCAWBD-PMPSAXMXSA-N 1 3 327.513 2.856 20 0 EFADHO CCCC[N@H+](C)CC1CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000052208633 473094117 /nfs/dbraw/zinc/09/41/17/473094117.db2.gz FVVZPWACBNCHQJ-UHFFFAOYSA-N 1 3 336.480 2.756 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000052208633 473094125 /nfs/dbraw/zinc/09/41/25/473094125.db2.gz FVVZPWACBNCHQJ-UHFFFAOYSA-N 1 3 336.480 2.756 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000093405505 473103819 /nfs/dbraw/zinc/10/38/19/473103819.db2.gz SVWGNEVLQVFYDE-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1nc2c(s1)CCCC2 ZINC000093405505 473103826 /nfs/dbraw/zinc/10/38/26/473103826.db2.gz SVWGNEVLQVFYDE-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@@H](NCCCN1CCC[N@H+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405505 473103834 /nfs/dbraw/zinc/10/38/34/473103834.db2.gz SVWGNEVLQVFYDE-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO C[C@@H](NCCCN1CCC[N@@H+](C)CC1)c1nc2c(s1)CCCC2 ZINC000093405505 473103842 /nfs/dbraw/zinc/10/38/42/473103842.db2.gz SVWGNEVLQVFYDE-OAHLLOKOSA-N 1 3 336.549 2.700 20 0 EFADHO CCC[NH+]1CCC(N(C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000109788249 473123114 /nfs/dbraw/zinc/12/31/14/473123114.db2.gz UXDZVGDSFRJYAU-UHFFFAOYSA-N 1 3 334.460 2.990 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644687 473128933 /nfs/dbraw/zinc/12/89/33/473128933.db2.gz JMGNSDRIHVQVIJ-UYAOXDASSA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644687 473128938 /nfs/dbraw/zinc/12/89/38/473128938.db2.gz JMGNSDRIHVQVIJ-UYAOXDASSA-N 1 3 344.547 2.743 20 0 EFADHO COc1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1OC ZINC000093735107 473136957 /nfs/dbraw/zinc/13/69/57/473136957.db2.gz HUCBGTYPKXGSCG-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)CN1CCC(CCC[NH+](C)C)CC1)C1CC1 ZINC000123434589 473141411 /nfs/dbraw/zinc/14/14/11/473141411.db2.gz KCNRHVAARPHRAM-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccccc1OC[C@H](O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123463931 473143351 /nfs/dbraw/zinc/14/33/51/473143351.db2.gz IPSCMKAELAGNFY-LJQANCHMSA-N 1 3 334.504 2.789 20 0 EFADHO Cc1ccccc1OC[C@@H](O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123464105 473143766 /nfs/dbraw/zinc/14/37/66/473143766.db2.gz IPSCMKAELAGNFY-IBGZPJMESA-N 1 3 334.504 2.789 20 0 EFADHO Cc1nccn1CCCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000136312736 473152115 /nfs/dbraw/zinc/15/21/15/473152115.db2.gz YHMARIDYSPQNDR-MRXNPFEDSA-N 1 3 328.460 2.561 20 0 EFADHO COc1ccc(Br)cc1CN(C)CC1CC[NH2+]CC1 ZINC000094010733 473167212 /nfs/dbraw/zinc/16/72/12/473167212.db2.gz RMZCTJLNFLNCOB-UHFFFAOYSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000162879311 473393360 /nfs/dbraw/zinc/39/33/60/473393360.db2.gz LEVBOMKOPKPLHT-JYJNAYRXSA-N 1 3 334.460 2.955 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000150999617 473393955 /nfs/dbraw/zinc/39/39/55/473393955.db2.gz XGLFZHGYAWQDFX-MRXNPFEDSA-N 1 3 347.503 2.525 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000177545115 473396943 /nfs/dbraw/zinc/39/69/43/473396943.db2.gz SNMXXJXZIBHEQK-PXNSSMCTSA-N 1 3 343.515 2.853 20 0 EFADHO CCCn1nc(C)c(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000177568137 473400428 /nfs/dbraw/zinc/40/04/28/473400428.db2.gz FMPOAHCHDQKYIY-IYBDPMFKSA-N 1 3 336.524 2.889 20 0 EFADHO C[C@H](NCCC1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125379172 473402142 /nfs/dbraw/zinc/40/21/42/473402142.db2.gz YBRWBXDXIGFCEU-ZDUSSCGKSA-N 1 3 342.480 2.612 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000113580921 473405065 /nfs/dbraw/zinc/40/50/65/473405065.db2.gz XOCJSSVTUGZXEL-MRXNPFEDSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CCN1C ZINC000163029708 473407039 /nfs/dbraw/zinc/40/70/39/473407039.db2.gz VFEDNPOZTRULEJ-SJORKVTESA-N 1 3 325.566 2.810 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096276 473407576 /nfs/dbraw/zinc/40/75/76/473407576.db2.gz CTGURAFDQASYAU-KBPBESRZSA-N 1 3 338.883 2.774 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096276 473407580 /nfs/dbraw/zinc/40/75/80/473407580.db2.gz CTGURAFDQASYAU-KBPBESRZSA-N 1 3 338.883 2.774 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000151096276 473407586 /nfs/dbraw/zinc/40/75/86/473407586.db2.gz CTGURAFDQASYAU-KBPBESRZSA-N 1 3 338.883 2.774 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)N(C)C1CC1 ZINC000185373433 473408159 /nfs/dbraw/zinc/40/81/59/473408159.db2.gz CVMSFUIFULJTJV-MRXNPFEDSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCN1C)c1ccccc1 ZINC000113604377 473408705 /nfs/dbraw/zinc/40/87/05/473408705.db2.gz WNOODSZTQIVTMT-NVXWUHKLSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000113625112 473410514 /nfs/dbraw/zinc/41/05/14/473410514.db2.gz QIKILKDQHRFTPC-QGZVFWFLSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nccn2-c2ccccc2)C[C@@H](C)O1 ZINC000190893526 473421062 /nfs/dbraw/zinc/42/10/62/473421062.db2.gz GAEVRAVTMSWDHT-QZTJIDSGSA-N 1 3 342.487 2.851 20 0 EFADHO CN(c1ccccc1CNCCOCC(F)F)C1CC[NH+](C)CC1 ZINC000190899856 473423976 /nfs/dbraw/zinc/42/39/76/473423976.db2.gz SYIXBCDDWIUXIE-UHFFFAOYSA-N 1 3 341.446 2.588 20 0 EFADHO CC[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC)c(OC)c1 ZINC000151365624 473449614 /nfs/dbraw/zinc/44/96/14/473449614.db2.gz YQGMFXGTHKYIII-KRWDZBQOSA-N 1 3 336.476 2.591 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc(OCCN(C)C)cc1 ZINC000163494146 473449971 /nfs/dbraw/zinc/44/99/71/473449971.db2.gz NHZLDBYTMSYANH-QGZVFWFLSA-N 1 3 347.503 2.680 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163494146 473449976 /nfs/dbraw/zinc/44/99/76/473449976.db2.gz NHZLDBYTMSYANH-QGZVFWFLSA-N 1 3 347.503 2.680 20 0 EFADHO C[C@@H](CC1CCCC1)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000114322214 473452517 /nfs/dbraw/zinc/45/25/17/473452517.db2.gz MMUVWAZWOSHXRS-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000163578688 473456719 /nfs/dbraw/zinc/45/67/19/473456719.db2.gz YODLQGYWVVJTJB-HOTGVXAUSA-N 1 3 335.517 2.779 20 0 EFADHO CN1CCC[N@H+](CCCNCc2c(F)cccc2N2CCCC2)CC1 ZINC000171767837 473456882 /nfs/dbraw/zinc/45/68/82/473456882.db2.gz FTUMTCGRCHNZJY-UHFFFAOYSA-N 1 3 348.510 2.543 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2c(F)cccc2N2CCCC2)CC1 ZINC000171767837 473456885 /nfs/dbraw/zinc/45/68/85/473456885.db2.gz FTUMTCGRCHNZJY-UHFFFAOYSA-N 1 3 348.510 2.543 20 0 EFADHO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccccc2OCCN(C)C)cc1 ZINC000178209321 473475679 /nfs/dbraw/zinc/47/56/79/473475679.db2.gz KSFNBSLVHMXVHR-CQSZACIVSA-N 1 3 327.428 2.899 20 0 EFADHO C[C@H]([NH3+])c1ccc(NC(=O)c2ccccc2OCCN(C)C)cc1 ZINC000178209310 473475856 /nfs/dbraw/zinc/47/58/56/473475856.db2.gz KSFNBSLVHMXVHR-AWEZNQCLSA-N 1 3 327.428 2.899 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676186 473486655 /nfs/dbraw/zinc/48/66/55/473486655.db2.gz LZEQTYPPKJIAEQ-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676186 473486660 /nfs/dbraw/zinc/48/66/60/473486660.db2.gz LZEQTYPPKJIAEQ-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676186 473486665 /nfs/dbraw/zinc/48/66/65/473486665.db2.gz LZEQTYPPKJIAEQ-NLWGTHIKSA-N 1 3 346.515 2.977 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164599719 473493080 /nfs/dbraw/zinc/49/30/80/473493080.db2.gz ANCDAVWJLDPFCM-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCCCN3)cc2)C1 ZINC000164599719 473493084 /nfs/dbraw/zinc/49/30/84/473493084.db2.gz ANCDAVWJLDPFCM-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO CC1(C)CC([NH2+]C2CCN(Cc3ccccn3)CC2)CC(C)(C)N1 ZINC000178344386 473495003 /nfs/dbraw/zinc/49/50/03/473495003.db2.gz BSGCUBSUXPHMQU-UHFFFAOYSA-N 1 3 330.520 2.945 20 0 EFADHO C[C@H](CC(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165041387 473505192 /nfs/dbraw/zinc/50/51/92/473505192.db2.gz IECYJINARDNJEM-RLLQIKCJSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000165117049 473506778 /nfs/dbraw/zinc/50/67/78/473506778.db2.gz DKVXCEHLQZLXAU-AOIWGVFYSA-N 1 3 331.504 2.951 20 0 EFADHO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H](N)c1ccccc1 ZINC000165117049 473506782 /nfs/dbraw/zinc/50/67/82/473506782.db2.gz DKVXCEHLQZLXAU-AOIWGVFYSA-N 1 3 331.504 2.951 20 0 EFADHO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165344934 473510886 /nfs/dbraw/zinc/51/08/86/473510886.db2.gz FVHQXWWETOJSFE-AZUAARDMSA-N 1 3 338.499 2.952 20 0 EFADHO COc1ccc(CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)cn1 ZINC000126392064 473513420 /nfs/dbraw/zinc/51/34/20/473513420.db2.gz MYEIFIQPIAEPLU-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCCC[NH2+]2)c2ccccc2)CC1 ZINC000165723822 473515786 /nfs/dbraw/zinc/51/57/86/473515786.db2.gz SJBGNHZKSOJKJA-RTBURBONSA-N 1 3 329.488 2.718 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000165983283 473519157 /nfs/dbraw/zinc/51/91/57/473519157.db2.gz GCQFPTLIMXCGEA-DOTOQJQBSA-N 1 3 336.476 2.855 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000165991126 473520373 /nfs/dbraw/zinc/52/03/73/473520373.db2.gz BJAOKIZEKKBYIL-LJQANCHMSA-N 1 3 343.515 2.699 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000165989765 473520913 /nfs/dbraw/zinc/52/09/13/473520913.db2.gz BGWAUSANLMCMFJ-YJBOKZPZSA-N 1 3 349.475 2.651 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000166418249 473527458 /nfs/dbraw/zinc/52/74/58/473527458.db2.gz ASFHEWUHBKNISJ-SFHVURJKSA-N 1 3 349.544 2.759 20 0 EFADHO C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000166566218 473527635 /nfs/dbraw/zinc/52/76/35/473527635.db2.gz OTFDADHUXONBMY-JHVJFLLYSA-N 1 3 340.467 2.936 20 0 EFADHO CC[NH+](CC)CCNC(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000172130179 473530453 /nfs/dbraw/zinc/53/04/53/473530453.db2.gz AYUFDHAIVDUDCJ-UHFFFAOYSA-N 1 3 347.503 2.623 20 0 EFADHO CCN(C)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000191413116 473536765 /nfs/dbraw/zinc/53/67/65/473536765.db2.gz LTAIOKKZUTZPLF-UHFFFAOYSA-N 1 3 346.519 2.615 20 0 EFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000178620040 473538059 /nfs/dbraw/zinc/53/80/59/473538059.db2.gz JOFMTLVOZGQNGL-VQIMIIECSA-N 1 3 326.488 2.944 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000168514792 473542447 /nfs/dbraw/zinc/54/24/47/473542447.db2.gz UNGKLGFLTWOWHA-NEWSRXKRSA-N 1 3 329.488 2.640 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168515390 473542886 /nfs/dbraw/zinc/54/28/86/473542886.db2.gz MHZPWBDHWBCVEH-KBAYOESNSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168515390 473542891 /nfs/dbraw/zinc/54/28/91/473542891.db2.gz MHZPWBDHWBCVEH-KBAYOESNSA-N 1 3 349.544 2.578 20 0 EFADHO C[C@H]1COCCN1CCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000191473811 473544196 /nfs/dbraw/zinc/54/41/96/473544196.db2.gz XUQUSRNZQCCFHE-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1COCCN1CCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000191473811 473544201 /nfs/dbraw/zinc/54/42/01/473544201.db2.gz XUQUSRNZQCCFHE-IBGZPJMESA-N 1 3 345.531 2.551 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000168763877 473544179 /nfs/dbraw/zinc/54/41/79/473544179.db2.gz OEYDPWPUUSDOSG-LJQANCHMSA-N 1 3 341.455 2.526 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000168943742 473545275 /nfs/dbraw/zinc/54/52/75/473545275.db2.gz ZVWDJVUYHUZXTD-WIYYLYMNSA-N 1 3 345.531 2.605 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169090839 473546558 /nfs/dbraw/zinc/54/65/58/473546558.db2.gz COBFYCFBMBOLKD-HZPDHXFCSA-N 1 3 331.460 2.536 20 0 EFADHO CCN(C)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)cn1 ZINC000191547492 473552818 /nfs/dbraw/zinc/55/28/18/473552818.db2.gz ONKQJXGTOGAIDY-UHFFFAOYSA-N 1 3 339.487 2.939 20 0 EFADHO C[C@@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152464063 473565659 /nfs/dbraw/zinc/56/56/59/473565659.db2.gz QPRAOVYDMZSDRZ-HZPDHXFCSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152464063 473565661 /nfs/dbraw/zinc/56/56/61/473565661.db2.gz QPRAOVYDMZSDRZ-HZPDHXFCSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463798 473565894 /nfs/dbraw/zinc/56/58/94/473565894.db2.gz QPRAOVYDMZSDRZ-HOTGVXAUSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000152463798 473565901 /nfs/dbraw/zinc/56/59/01/473565901.db2.gz QPRAOVYDMZSDRZ-HOTGVXAUSA-N 1 3 327.472 2.948 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178845202 473577053 /nfs/dbraw/zinc/57/70/53/473577053.db2.gz GTIMRCXPRBMCSE-ZCNNSNEGSA-N 1 3 343.515 2.875 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115811905 473606361 /nfs/dbraw/zinc/60/63/61/473606361.db2.gz HDQQCGVWMAMWDC-PKOBYXMFSA-N 1 3 346.519 2.581 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115811905 473606368 /nfs/dbraw/zinc/60/63/68/473606368.db2.gz HDQQCGVWMAMWDC-PKOBYXMFSA-N 1 3 346.519 2.581 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1C1CC1 ZINC000153252212 473615895 /nfs/dbraw/zinc/61/58/95/473615895.db2.gz PPOLYNDJDWODSH-PXNSSMCTSA-N 1 3 327.516 2.908 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC000116215506 473638746 /nfs/dbraw/zinc/63/87/46/473638746.db2.gz KVODHIKJIFOCAB-LPHOPBHVSA-N 1 3 331.504 2.914 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000170900027 473643431 /nfs/dbraw/zinc/64/34/31/473643431.db2.gz RBAWVWQLZIACAC-IBGZPJMESA-N 1 3 329.488 2.773 20 0 EFADHO C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000128006250 473671197 /nfs/dbraw/zinc/67/11/97/473671197.db2.gz AUAVGSZBBGIIDR-RYUDHWBXSA-N 1 3 329.897 2.640 20 0 EFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(CN(C)C)c2)o1 ZINC000172717438 473675225 /nfs/dbraw/zinc/67/52/25/473675225.db2.gz BZHTWNQZFDZDQN-UHFFFAOYSA-N 1 3 343.471 2.854 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC000192439158 473679514 /nfs/dbraw/zinc/67/95/14/473679514.db2.gz XTSQWTWXIFEOPO-LJQANCHMSA-N 1 3 345.531 2.560 20 0 EFADHO O=C1O[C@H](CN2CCC(C[NH+]3CCCC3)CC2)CN1c1ccccc1 ZINC000172779320 473683300 /nfs/dbraw/zinc/68/33/00/473683300.db2.gz AQLBFXMILIDCLK-LJQANCHMSA-N 1 3 343.471 2.820 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281382880 473699620 /nfs/dbraw/zinc/69/96/20/473699620.db2.gz XIRUZLJKKIIHSR-LJQANCHMSA-N 1 3 334.483 2.679 20 0 EFADHO N[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000269172709 473718376 /nfs/dbraw/zinc/71/83/76/473718376.db2.gz KDBUBYMYUABANG-FQEVSTJZSA-N 1 3 337.467 2.715 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(C)cc1OCC[NH+](C)C)N(CC)CC ZINC000274057054 473720279 /nfs/dbraw/zinc/72/02/79/473720279.db2.gz KFMDUUXOIQOMBP-QGZVFWFLSA-N 1 3 335.492 2.994 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262813065 473725849 /nfs/dbraw/zinc/72/58/49/473725849.db2.gz RKCRBSXRYXRVKN-YJBOKZPZSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CSCCN3)cc2)C1 ZINC000262813065 473725856 /nfs/dbraw/zinc/72/58/56/473725856.db2.gz RKCRBSXRYXRVKN-YJBOKZPZSA-N 1 3 347.528 2.952 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269196348 473727413 /nfs/dbraw/zinc/72/74/13/473727413.db2.gz UVXYGKBHVJXXHK-LPHOPBHVSA-N 1 3 329.488 2.627 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269195289 473727846 /nfs/dbraw/zinc/72/78/46/473727846.db2.gz PCZZYVURJNKYJW-MOPGFXCFSA-N 1 3 329.488 2.532 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000245630914 473728393 /nfs/dbraw/zinc/72/83/93/473728393.db2.gz UFTSPCJTVKVOIP-DBXWQHBBSA-N 1 3 344.547 2.965 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000245630914 473728403 /nfs/dbraw/zinc/72/84/03/473728403.db2.gz UFTSPCJTVKVOIP-DBXWQHBBSA-N 1 3 344.547 2.965 20 0 EFADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000269201982 473729960 /nfs/dbraw/zinc/72/99/60/473729960.db2.gz MXDHBSXJOGXKSW-UONOGXRCSA-N 1 3 329.444 2.612 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H](CN)c2ccccc2)C1 ZINC000269224793 473737234 /nfs/dbraw/zinc/73/72/34/473737234.db2.gz COUFRMVUCNLESZ-ZHALLVOQSA-N 1 3 331.504 2.603 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC000263073698 473741746 /nfs/dbraw/zinc/74/17/46/473741746.db2.gz WUVOXWHCPFGMSM-HBFSDRIKSA-N 1 3 331.504 2.876 20 0 EFADHO CN(C[C@H]1CC[N@H+](CC[C@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000245749802 473744492 /nfs/dbraw/zinc/74/44/92/473744492.db2.gz YOVCBYMWACLZPQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000245749802 473744498 /nfs/dbraw/zinc/74/44/98/473744498.db2.gz YOVCBYMWACLZPQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000245749802 473744505 /nfs/dbraw/zinc/74/45/05/473744505.db2.gz YOVCBYMWACLZPQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000245749802 473744509 /nfs/dbraw/zinc/74/45/09/473744509.db2.gz YOVCBYMWACLZPQ-HZPDHXFCSA-N 1 3 325.497 2.660 20 0 EFADHO CCN1CCC[C@H]1CN(C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269249672 473748975 /nfs/dbraw/zinc/74/89/75/473748975.db2.gz GLHJZVYJHBLUBX-SFHVURJKSA-N 1 3 342.487 2.546 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269265637 473755474 /nfs/dbraw/zinc/75/54/74/473755474.db2.gz YRXIRKTUDRUODS-SFHVURJKSA-N 1 3 342.487 2.594 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000173186047 473765899 /nfs/dbraw/zinc/76/58/99/473765899.db2.gz UZHYRGUSIIWUGS-AWEZNQCLSA-N 1 3 329.444 2.566 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000173186047 473765905 /nfs/dbraw/zinc/76/59/05/473765905.db2.gz UZHYRGUSIIWUGS-AWEZNQCLSA-N 1 3 329.444 2.566 20 0 EFADHO CN1CCCN(c2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000269303612 473767879 /nfs/dbraw/zinc/76/78/79/473767879.db2.gz RWNLWURXZGLIFO-UHFFFAOYSA-N 1 3 332.492 2.676 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018224 473772584 /nfs/dbraw/zinc/77/25/84/473772584.db2.gz URQNZMKBPFDUQZ-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018224 473772589 /nfs/dbraw/zinc/77/25/89/473772589.db2.gz URQNZMKBPFDUQZ-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018224 473772598 /nfs/dbraw/zinc/77/25/98/473772598.db2.gz URQNZMKBPFDUQZ-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000246162928 473790680 /nfs/dbraw/zinc/79/06/80/473790680.db2.gz KVDIUAWAWTYZFK-RTBURBONSA-N 1 3 346.519 2.805 20 0 EFADHO CN(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000246162928 473790689 /nfs/dbraw/zinc/79/06/89/473790689.db2.gz KVDIUAWAWTYZFK-RTBURBONSA-N 1 3 346.519 2.805 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281641257 473792530 /nfs/dbraw/zinc/79/25/30/473792530.db2.gz OZTYTMKTXWNWPX-IPMKNSEASA-N 1 3 333.451 2.639 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000246224660 473800795 /nfs/dbraw/zinc/80/07/95/473800795.db2.gz HDUHPVAETDARGX-BHIYHBOVSA-N 1 3 331.504 2.921 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000269439379 473811729 /nfs/dbraw/zinc/81/17/29/473811729.db2.gz PYTZIEWSLHQCNY-YFVAEKQCSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+][C@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(=O)NC(C)(C)C ZINC000180161110 473815186 /nfs/dbraw/zinc/81/51/86/473815186.db2.gz MSXVDSVRWCWDBU-BVBHFADKSA-N 1 3 343.515 2.790 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCSCC1 ZINC000187148262 473826415 /nfs/dbraw/zinc/82/64/15/473826415.db2.gz SQKMTICHGPJWQA-HNNXBMFYSA-N 1 3 349.544 2.599 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000246316741 473827012 /nfs/dbraw/zinc/82/70/12/473827012.db2.gz NVALOORQXWIQNT-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000246316741 473827018 /nfs/dbraw/zinc/82/70/18/473827018.db2.gz NVALOORQXWIQNT-FGTMMUONSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C(C)C ZINC000194097655 473842200 /nfs/dbraw/zinc/84/22/00/473842200.db2.gz YLJPVCQRHNSYTL-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246377813 473844293 /nfs/dbraw/zinc/84/42/93/473844293.db2.gz RIMKKTNWEAXRFL-QRQLOZEOSA-N 1 3 346.519 2.579 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000246377813 473844297 /nfs/dbraw/zinc/84/42/97/473844297.db2.gz RIMKKTNWEAXRFL-QRQLOZEOSA-N 1 3 346.519 2.579 20 0 EFADHO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000246398556 473851286 /nfs/dbraw/zinc/85/12/86/473851286.db2.gz LOGOPSJINHKXIG-MNZLEMJZSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246419625 473858473 /nfs/dbraw/zinc/85/84/73/473858473.db2.gz BUHKJBNYOFOUMD-YZGWKJHDSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246419625 473858480 /nfs/dbraw/zinc/85/84/80/473858480.db2.gz BUHKJBNYOFOUMD-YZGWKJHDSA-N 1 3 334.504 2.757 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000246436080 473863936 /nfs/dbraw/zinc/86/39/36/473863936.db2.gz TYWYMWKNMBGKGR-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000246436080 473863942 /nfs/dbraw/zinc/86/39/42/473863942.db2.gz TYWYMWKNMBGKGR-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000288251283 473886906 /nfs/dbraw/zinc/88/69/06/473886906.db2.gz UKRIWYZUHVHMEX-AEFFLSMTSA-N 1 3 334.508 2.661 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)c1ccccc1 ZINC000194367210 473887022 /nfs/dbraw/zinc/88/70/22/473887022.db2.gz BQHZWYTWKMEHAO-QGZVFWFLSA-N 1 3 339.483 2.871 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000288251288 473887424 /nfs/dbraw/zinc/88/74/24/473887424.db2.gz UKRIWYZUHVHMEX-FUHWJXTLSA-N 1 3 334.508 2.661 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173613607 473890286 /nfs/dbraw/zinc/89/02/86/473890286.db2.gz XQMZHYROJUAZGR-QGZVFWFLSA-N 1 3 331.504 2.505 20 0 EFADHO Cc1ccccc1CCNC(=O)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173613624 473890739 /nfs/dbraw/zinc/89/07/39/473890739.db2.gz XQMZHYROJUAZGR-KRWDZBQOSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000288256183 473891021 /nfs/dbraw/zinc/89/10/21/473891021.db2.gz UPSLHZHTOWPDSN-LPHOPBHVSA-N 1 3 346.519 2.661 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000281939172 473891135 /nfs/dbraw/zinc/89/11/35/473891135.db2.gz LCBSMGMDBGALNK-AWEZNQCLSA-N 1 3 329.444 2.695 20 0 EFADHO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000173617804 473892335 /nfs/dbraw/zinc/89/23/35/473892335.db2.gz LDMYZNJKIGKOMW-HZPDHXFCSA-N 1 3 347.503 2.723 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000274613180 473896270 /nfs/dbraw/zinc/89/62/70/473896270.db2.gz XKYQCBRXRPWZSE-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000288288967 473898359 /nfs/dbraw/zinc/89/83/59/473898359.db2.gz WEDITGVZKJNUIL-QFBILLFUSA-N 1 3 346.519 2.850 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263902873 473899848 /nfs/dbraw/zinc/89/98/48/473899848.db2.gz ZTJNWOQCOFGSSI-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000263902873 473899852 /nfs/dbraw/zinc/89/98/52/473899852.db2.gz ZTJNWOQCOFGSSI-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180547834 473902436 /nfs/dbraw/zinc/90/24/36/473902436.db2.gz BPJPWMFZVKBJJP-UHFFFAOYSA-N 1 3 344.503 2.905 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cccc3nccn32)CC1 ZINC000180547834 473902444 /nfs/dbraw/zinc/90/24/44/473902444.db2.gz BPJPWMFZVKBJJP-UHFFFAOYSA-N 1 3 344.503 2.905 20 0 EFADHO C[NH+]1CCC(O)(CNCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000269880807 473905988 /nfs/dbraw/zinc/90/59/88/473905988.db2.gz SAOKFWHYWSQBMP-UHFFFAOYSA-N 1 3 336.785 2.905 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)[NH+](C)C ZINC000288394696 473930392 /nfs/dbraw/zinc/93/03/92/473930392.db2.gz SFRDZUKVPBVPJB-MSOLQXFVSA-N 1 3 335.492 2.533 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000274766488 473949193 /nfs/dbraw/zinc/94/91/93/473949193.db2.gz LMWVEAHZHKUYNP-NEWSRXKRSA-N 1 3 345.487 2.717 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000274766488 473949197 /nfs/dbraw/zinc/94/91/97/473949197.db2.gz LMWVEAHZHKUYNP-NEWSRXKRSA-N 1 3 345.487 2.717 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000282143633 473959541 /nfs/dbraw/zinc/95/95/41/473959541.db2.gz CGUMOMPOKQRXQF-QGZVFWFLSA-N 1 3 333.520 2.989 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000274816154 473971464 /nfs/dbraw/zinc/97/14/64/473971464.db2.gz PLXHKMPSWYABBQ-OAHLLOKOSA-N 1 3 332.492 2.581 20 0 EFADHO CC[N@@H+]1CC[C@H](NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@H](C)C1 ZINC000246817364 473973199 /nfs/dbraw/zinc/97/31/99/473973199.db2.gz BAAXUQUXWJXKON-LQWHRVPQSA-N 1 3 345.531 2.727 20 0 EFADHO CC[N@H+]1CC[C@H](NCc2cccc(CN3CCO[C@@H](C)C3)c2)[C@H](C)C1 ZINC000246817364 473973204 /nfs/dbraw/zinc/97/32/04/473973204.db2.gz BAAXUQUXWJXKON-LQWHRVPQSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)[C@H](C)C1 ZINC000246817364 473973210 /nfs/dbraw/zinc/97/32/10/473973210.db2.gz BAAXUQUXWJXKON-LQWHRVPQSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CCN(c2cccc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c2)CC1 ZINC000274823362 473974070 /nfs/dbraw/zinc/97/40/70/473974070.db2.gz XYOJRCKPWWOTOG-MRXNPFEDSA-N 1 3 346.519 2.934 20 0 EFADHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282201312 473979177 /nfs/dbraw/zinc/97/91/77/473979177.db2.gz CRHPHSSBMBAQCA-UHFFFAOYSA-N 1 3 349.519 2.600 20 0 EFADHO C[C@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCCC[NH2+]1 ZINC000180995397 473996232 /nfs/dbraw/zinc/99/62/32/473996232.db2.gz RIBJYIKJTCYPSC-MAUKXSAKSA-N 1 3 335.517 2.609 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282295175 474012211 /nfs/dbraw/zinc/01/22/11/474012211.db2.gz SIOGLFPBLRTPBH-UWJYYQICSA-N 1 3 346.515 2.938 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1(C)C ZINC000282296265 474012283 /nfs/dbraw/zinc/01/22/83/474012283.db2.gz JHMUQGLTWLLQGQ-UHFFFAOYSA-N 1 3 345.409 2.543 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957377 474014838 /nfs/dbraw/zinc/01/48/38/474014838.db2.gz IQVCHZOOQVDFLW-KGLIPLIRSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957377 474014843 /nfs/dbraw/zinc/01/48/43/474014843.db2.gz IQVCHZOOQVDFLW-KGLIPLIRSA-N 1 3 343.313 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)Cn2cc(Br)cn2)C1 ZINC000246957377 474014851 /nfs/dbraw/zinc/01/48/51/474014851.db2.gz IQVCHZOOQVDFLW-KGLIPLIRSA-N 1 3 343.313 2.744 20 0 EFADHO C[C@@H](c1nc2ccccc2o1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000181202663 474014944 /nfs/dbraw/zinc/01/49/44/474014944.db2.gz WVNSCCPYSPHQGX-HNNXBMFYSA-N 1 3 330.476 2.847 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000246961137 474017087 /nfs/dbraw/zinc/01/70/87/474017087.db2.gz IQWVAMZCOGFLBK-OTWHNJEPSA-N 1 3 346.519 2.770 20 0 EFADHO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274930876 474017734 /nfs/dbraw/zinc/01/77/34/474017734.db2.gz QVSZOBDVCGJUJB-YSIASYRMSA-N 1 3 347.572 2.924 20 0 EFADHO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274928859 474017812 /nfs/dbraw/zinc/01/78/12/474017812.db2.gz QNPKHFWWTPAHTQ-YTQUADARSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246974756 474020287 /nfs/dbraw/zinc/02/02/87/474020287.db2.gz JIRFRFUTVHXGHS-NSHGMRRFSA-N 1 3 330.520 2.614 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000246975634 474021360 /nfs/dbraw/zinc/02/13/60/474021360.db2.gz IQVADGMGPYJXQV-BWPNAZKDSA-N 1 3 330.520 2.754 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000246975652 474022851 /nfs/dbraw/zinc/02/28/51/474022851.db2.gz IQVADGMGPYJXQV-LFGUQSLTSA-N 1 3 330.520 2.754 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174408545 474036006 /nfs/dbraw/zinc/03/60/06/474036006.db2.gz QXKWBMICZJIXAP-APWZRJJASA-N 1 3 329.488 2.790 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247033871 474044000 /nfs/dbraw/zinc/04/40/00/474044000.db2.gz GKYVWOZMDXYKSR-HOTGVXAUSA-N 1 3 325.497 2.517 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247073000 474056183 /nfs/dbraw/zinc/05/61/83/474056183.db2.gz QHSVSBARIKNZTJ-JBACZVJFSA-N 1 3 329.532 2.871 20 0 EFADHO CC1CCN([C@@H](CNC(=O)/C=C/C[NH+](C)C)c2cccs2)CC1 ZINC000264605126 474056630 /nfs/dbraw/zinc/05/66/30/474056630.db2.gz GBCQXPCLSWGZHP-RRGWEWPQSA-N 1 3 335.517 2.755 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000195327304 474058197 /nfs/dbraw/zinc/05/81/97/474058197.db2.gz RFQIIJGPYOTGPE-UHFFFAOYSA-N 1 3 345.487 2.577 20 0 EFADHO CN1CC=C(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000275075995 474061147 /nfs/dbraw/zinc/06/11/47/474061147.db2.gz CQTPOVYIFNURBM-UHFFFAOYSA-N 1 3 341.499 2.667 20 0 EFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000247140482 474073812 /nfs/dbraw/zinc/07/38/12/474073812.db2.gz SGIBKSMAPPBPHB-WERVVEIQSA-N 1 3 344.547 2.515 20 0 EFADHO C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000247140482 474073816 /nfs/dbraw/zinc/07/38/16/474073816.db2.gz SGIBKSMAPPBPHB-WERVVEIQSA-N 1 3 344.547 2.515 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282475618 474078735 /nfs/dbraw/zinc/07/87/35/474078735.db2.gz PSZDAYQOEYZRNA-SFHVURJKSA-N 1 3 330.476 2.757 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccccc3)s2)CC1(C)C ZINC000282474775 474079248 /nfs/dbraw/zinc/07/92/48/474079248.db2.gz UXLCHPZVKODHQG-UHFFFAOYSA-N 1 3 344.528 2.926 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)[C@@H](C)C1 ZINC000247192576 474085027 /nfs/dbraw/zinc/08/50/27/474085027.db2.gz VTQMUSDKRCBSID-GXTWGEPZSA-N 1 3 331.382 2.843 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)[C@@H](C)C1 ZINC000247192585 474086367 /nfs/dbraw/zinc/08/63/67/474086367.db2.gz VTQMUSDKRCBSID-JSGCOSHPSA-N 1 3 331.382 2.843 20 0 EFADHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(OC)c(OC)c1 ZINC000282510668 474092463 /nfs/dbraw/zinc/09/24/63/474092463.db2.gz YVXXSTODZWLJFK-KRWDZBQOSA-N 1 3 349.519 2.771 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C)C1 ZINC000282519870 474096343 /nfs/dbraw/zinc/09/63/43/474096343.db2.gz UKCZPIOKQZAOPT-JQHSSLGASA-N 1 3 330.476 2.613 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C)C1 ZINC000282519870 474096348 /nfs/dbraw/zinc/09/63/48/474096348.db2.gz UKCZPIOKQZAOPT-JQHSSLGASA-N 1 3 330.476 2.613 20 0 EFADHO C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000289056118 474132620 /nfs/dbraw/zinc/13/26/20/474132620.db2.gz BQLTXGPENICPPR-XJKSGUPXSA-N 1 3 330.394 2.855 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000182243078 474133731 /nfs/dbraw/zinc/13/37/31/474133731.db2.gz IJYULEHUAWGPIE-WOJBJXKFSA-N 1 3 342.487 2.618 20 0 EFADHO CC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000182243078 474133736 /nfs/dbraw/zinc/13/37/36/474133736.db2.gz IJYULEHUAWGPIE-WOJBJXKFSA-N 1 3 342.487 2.618 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)C1C[C@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000289099847 474148330 /nfs/dbraw/zinc/14/83/30/474148330.db2.gz CBZAMEDQNRGBKA-BBWFWOEESA-N 1 3 346.471 2.773 20 0 EFADHO CC1CC[NH+](CCCNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289115726 474153120 /nfs/dbraw/zinc/15/31/20/474153120.db2.gz NFRHLLNPEIHGOO-MSOLQXFVSA-N 1 3 344.455 2.529 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000221732016 474163215 /nfs/dbraw/zinc/16/32/15/474163215.db2.gz HNFIEQNNVUZBRE-FXAWDEMLSA-N 1 3 330.520 2.969 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000221732016 474163223 /nfs/dbraw/zinc/16/32/23/474163223.db2.gz HNFIEQNNVUZBRE-FXAWDEMLSA-N 1 3 330.520 2.969 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000222903365 474175967 /nfs/dbraw/zinc/17/59/67/474175967.db2.gz YOTFCDDRNAHZBQ-JKSUJKDBSA-N 1 3 325.497 2.898 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000289255046 474199679 /nfs/dbraw/zinc/19/96/79/474199679.db2.gz BTBSFAOKHBPVBM-QZTJIDSGSA-N 1 3 344.455 2.527 20 0 EFADHO Cc1ccc2[nH]c([C@H]3CCCN(C[C@H](O)C[N@@H+](C)C4CC4)C3)nc2c1 ZINC000289284544 474210363 /nfs/dbraw/zinc/21/03/63/474210363.db2.gz AIYRDZHYTFJJGE-DOTOQJQBSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2[nH]c([C@H]3CCCN(C[C@H](O)C[N@H+](C)C4CC4)C3)nc2c1 ZINC000289284544 474210367 /nfs/dbraw/zinc/21/03/67/474210367.db2.gz AIYRDZHYTFJJGE-DOTOQJQBSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@H]3CCCN(C[C@H](O)C[N@@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289284544 474210373 /nfs/dbraw/zinc/21/03/73/474210373.db2.gz AIYRDZHYTFJJGE-DOTOQJQBSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@H]3CCCN(C[C@H](O)C[N@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289284544 474210380 /nfs/dbraw/zinc/21/03/80/474210380.db2.gz AIYRDZHYTFJJGE-DOTOQJQBSA-N 1 3 342.487 2.506 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)[C@@H](C)C1 ZINC000247933269 474227925 /nfs/dbraw/zinc/22/79/25/474227925.db2.gz CFOURFRGZDDTCA-RRQGHBQHSA-N 1 3 325.447 2.887 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)NC1CCN(C2CC2)CC1 ZINC000275567297 474239094 /nfs/dbraw/zinc/23/90/94/474239094.db2.gz BYHZYEJODRWLOS-UHFFFAOYSA-N 1 3 330.476 2.539 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccsc2)CC1 ZINC000289379549 474245688 /nfs/dbraw/zinc/24/56/88/474245688.db2.gz BRLILUWJBCSEMJ-UHFFFAOYSA-N 1 3 335.517 2.562 20 0 EFADHO C[C@@H](CCNC(=O)N1CCC[C@@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175646475 474271934 /nfs/dbraw/zinc/27/19/34/474271934.db2.gz QDEQRKMNQBKZQX-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N1CCC[C@@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646475 474271944 /nfs/dbraw/zinc/27/19/44/474271944.db2.gz QDEQRKMNQBKZQX-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCC[C@@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175646494 474272653 /nfs/dbraw/zinc/27/26/53/474272653.db2.gz QDEQRKMNQBKZQX-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCC[C@@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646494 474272658 /nfs/dbraw/zinc/27/26/58/474272658.db2.gz QDEQRKMNQBKZQX-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCC[C@H](N(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175646459 474273048 /nfs/dbraw/zinc/27/30/48/474273048.db2.gz QDEQRKMNQBKZQX-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](CCNC(=O)N1CCC[C@H](N(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175646459 474273054 /nfs/dbraw/zinc/27/30/54/474273054.db2.gz QDEQRKMNQBKZQX-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000236660602 474277088 /nfs/dbraw/zinc/27/70/88/474277088.db2.gz YXGAHWDCJJBNSM-OWCLPIDISA-N 1 3 335.517 2.765 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236658691 474278083 /nfs/dbraw/zinc/27/80/83/474278083.db2.gz UDUHHBQXMWVAKE-APWZRJJASA-N 1 3 335.467 2.527 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000236706171 474282815 /nfs/dbraw/zinc/28/28/15/474282815.db2.gz RXAVRVJLYMEAHM-MRXNPFEDSA-N 1 3 335.517 2.590 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236709253 474282891 /nfs/dbraw/zinc/28/28/91/474282891.db2.gz XAIYOUIWSIKORZ-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1 ZINC000236709253 474282899 /nfs/dbraw/zinc/28/28/99/474282899.db2.gz XAIYOUIWSIKORZ-IBGZPJMESA-N 1 3 331.504 2.699 20 0 EFADHO Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(C(C)C)CC3)C2=O)cc1 ZINC000189081566 474284873 /nfs/dbraw/zinc/28/48/73/474284873.db2.gz DWERBYUNJJGUAL-LJQANCHMSA-N 1 3 329.488 2.558 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236725887 474284911 /nfs/dbraw/zinc/28/49/11/474284911.db2.gz WBSLQQBTXJKFNR-LJQANCHMSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236763911 474285486 /nfs/dbraw/zinc/28/54/86/474285486.db2.gz SQPIIFJUNBOLLY-FCEWJHQRSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236763911 474285493 /nfs/dbraw/zinc/28/54/93/474285493.db2.gz SQPIIFJUNBOLLY-FCEWJHQRSA-N 1 3 331.504 2.764 20 0 EFADHO CCCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744774 474286588 /nfs/dbraw/zinc/28/65/88/474286588.db2.gz ZKVLQQHTAPUEHD-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000189096662 474288450 /nfs/dbraw/zinc/28/84/50/474288450.db2.gz OGZWZCAFCBUGNJ-LJQANCHMSA-N 1 3 329.488 2.560 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000189096682 474288534 /nfs/dbraw/zinc/28/85/34/474288534.db2.gz OGZWZCAFCBUGNJ-IBGZPJMESA-N 1 3 329.488 2.560 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000236818869 474290572 /nfs/dbraw/zinc/29/05/72/474290572.db2.gz CULOYUPADUJQRZ-DPGVMXDBSA-N 1 3 329.488 2.847 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)N(CC)CC ZINC000275726209 474295868 /nfs/dbraw/zinc/29/58/68/474295868.db2.gz PDLUQTRVGHBMNJ-MOPGFXCFSA-N 1 3 346.519 2.673 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)N(CC)CC ZINC000275726214 474296261 /nfs/dbraw/zinc/29/62/61/474296261.db2.gz PDLUQTRVGHBMNJ-OALUTQOASA-N 1 3 346.519 2.673 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265693469 474297947 /nfs/dbraw/zinc/29/79/47/474297947.db2.gz ZHBYEFUXIQPHMM-ZBZNSMLMSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)C1 ZINC000265693469 474297954 /nfs/dbraw/zinc/29/79/54/474297954.db2.gz ZHBYEFUXIQPHMM-ZBZNSMLMSA-N 1 3 329.488 2.653 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](CN)c1ccccc1 ZINC000236907406 474299688 /nfs/dbraw/zinc/29/96/88/474299688.db2.gz PQBKLTUFBLKLOH-FQEVSTJZSA-N 1 3 339.483 2.887 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000236903752 474300166 /nfs/dbraw/zinc/30/01/66/474300166.db2.gz OVDCEDPOAKQNKN-ZWKOTPCHSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C(C)(C)C ZINC000236903752 474300171 /nfs/dbraw/zinc/30/01/71/474300171.db2.gz OVDCEDPOAKQNKN-ZWKOTPCHSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000236916288 474301330 /nfs/dbraw/zinc/30/13/30/474301330.db2.gz WPWFYEUKTLRFRB-IBGZPJMESA-N 1 3 325.456 2.769 20 0 EFADHO C[C@H](NC(=O)Nc1ccccc1CC[NH+](C)C)C1=CCN(C)CC1 ZINC000275744539 474302012 /nfs/dbraw/zinc/30/20/12/474302012.db2.gz ZEQSNBNLQCQRFX-HNNXBMFYSA-N 1 3 330.476 2.563 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000248403443 474308031 /nfs/dbraw/zinc/30/80/31/474308031.db2.gz YEMOMDQBXSAMKW-WGMWDUQUSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000248404117 474309595 /nfs/dbraw/zinc/30/95/95/474309595.db2.gz ZVAZYIOVAWIWIH-LFUKPOHLSA-N 1 3 343.515 2.649 20 0 EFADHO c1ccc(COCCOCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248414099 474313993 /nfs/dbraw/zinc/31/39/93/474313993.db2.gz MGKKFGLXNBBPPI-PMACEKPBSA-N 1 3 332.488 2.826 20 0 EFADHO c1ccc(COCCOCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248414099 474313996 /nfs/dbraw/zinc/31/39/96/474313996.db2.gz MGKKFGLXNBBPPI-PMACEKPBSA-N 1 3 332.488 2.826 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000236982531 474316892 /nfs/dbraw/zinc/31/68/92/474316892.db2.gz IKJFBBBUHUYKIR-BEFAXECRSA-N 1 3 346.519 2.777 20 0 EFADHO COC(=O)COc1ccc([C@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000189207796 474325820 /nfs/dbraw/zinc/32/58/20/474325820.db2.gz SFJXQIGWDUAQOF-INIZCTEOSA-N 1 3 334.460 2.765 20 0 EFADHO COC(=O)COc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2)cc1 ZINC000189207820 474325889 /nfs/dbraw/zinc/32/58/89/474325889.db2.gz SFJXQIGWDUAQOF-MRXNPFEDSA-N 1 3 334.460 2.765 20 0 EFADHO CC1(C)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)[C@@H]2CCCO[C@H]21 ZINC000248443039 474325900 /nfs/dbraw/zinc/32/59/00/474325900.db2.gz LEMBOBYGCJNNAV-VNTMZGSJSA-N 1 3 344.499 2.546 20 0 EFADHO C[C@H](NCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104079 474327708 /nfs/dbraw/zinc/32/77/08/474327708.db2.gz FUGYOTJGFPVJPP-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](NCCNC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104079 474327713 /nfs/dbraw/zinc/32/77/13/474327713.db2.gz FUGYOTJGFPVJPP-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@@H]1CCCN(C2CCC2)C1 ZINC000183104079 474327720 /nfs/dbraw/zinc/32/77/20/474327720.db2.gz FUGYOTJGFPVJPP-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](NCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183104127 474328416 /nfs/dbraw/zinc/32/84/16/474328416.db2.gz FUGYOTJGFPVJPP-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](NCCNC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183104127 474328424 /nfs/dbraw/zinc/32/84/24/474328424.db2.gz FUGYOTJGFPVJPP-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)[C@H]1CCCN(C2CCC2)C1 ZINC000183104127 474328427 /nfs/dbraw/zinc/32/84/27/474328427.db2.gz FUGYOTJGFPVJPP-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO Cc1nccnc1[C@H](C)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000275837810 474335162 /nfs/dbraw/zinc/33/51/62/474335162.db2.gz IWGPCNUDAILFCJ-HNNXBMFYSA-N 1 3 328.460 2.619 20 0 EFADHO C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CCCCN3)cc2)CC1 ZINC000237095672 474336777 /nfs/dbraw/zinc/33/67/77/474336777.db2.gz AKSKABRHJLYSPP-IBGZPJMESA-N 1 3 344.503 2.545 20 0 EFADHO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183152483 474339535 /nfs/dbraw/zinc/33/95/35/474339535.db2.gz FQQGHPDJPPJOIQ-FCEWJHQRSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000283226386 474343993 /nfs/dbraw/zinc/34/39/93/474343993.db2.gz IGMZALIRQYXQAA-HXUWFJFHSA-N 1 3 345.531 2.803 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000283226386 474344003 /nfs/dbraw/zinc/34/40/03/474344003.db2.gz IGMZALIRQYXQAA-HXUWFJFHSA-N 1 3 345.531 2.803 20 0 EFADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@H+](C)C1CC1 ZINC000175965334 474351278 /nfs/dbraw/zinc/35/12/78/474351278.db2.gz GYZXHFAGCQBJHJ-CYBMUJFWSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@@H+](C)C1CC1 ZINC000175965334 474351284 /nfs/dbraw/zinc/35/12/84/474351284.db2.gz GYZXHFAGCQBJHJ-CYBMUJFWSA-N 1 3 329.444 2.707 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000237183103 474352488 /nfs/dbraw/zinc/35/24/88/474352488.db2.gz CYHVURYDIZXWRI-QGZVFWFLSA-N 1 3 341.455 2.964 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC000237183179 474352866 /nfs/dbraw/zinc/35/28/66/474352866.db2.gz YJKADWPCPJBTNZ-HLLBOEOZSA-N 1 3 347.528 2.637 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)CCCCN2)cc1Cl ZINC000237198260 474355158 /nfs/dbraw/zinc/35/51/58/474355158.db2.gz PXMDINCJHCXZCL-QGZVFWFLSA-N 1 3 339.867 2.751 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000237197180 474355478 /nfs/dbraw/zinc/35/54/78/474355478.db2.gz IDZHXEZTQHJAHH-SFHVURJKSA-N 1 3 327.428 2.656 20 0 EFADHO CN(C)CCOc1cccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000237202142 474357402 /nfs/dbraw/zinc/35/74/02/474357402.db2.gz YSWQTEVYNYQCRY-RTBURBONSA-N 1 3 347.503 2.541 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000265846570 474360665 /nfs/dbraw/zinc/36/06/65/474360665.db2.gz OYGMWGBBYCXXKX-PXNSSMCTSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000265846570 474360671 /nfs/dbraw/zinc/36/06/71/474360671.db2.gz OYGMWGBBYCXXKX-PXNSSMCTSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000265853092 474361878 /nfs/dbraw/zinc/36/18/78/474361878.db2.gz BHPNVZYGWJKVCX-QZTJIDSGSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000248570816 474363877 /nfs/dbraw/zinc/36/38/77/474363877.db2.gz LZEQTYPPKJIAEQ-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248570816 474363886 /nfs/dbraw/zinc/36/38/86/474363886.db2.gz LZEQTYPPKJIAEQ-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000248570816 474363890 /nfs/dbraw/zinc/36/38/90/474363890.db2.gz LZEQTYPPKJIAEQ-CMKODMSKSA-N 1 3 346.515 2.977 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237322524 474380714 /nfs/dbraw/zinc/38/07/14/474380714.db2.gz KAPVMGRXRFRDBA-YJBOKZPZSA-N 1 3 349.544 2.615 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237322524 474380721 /nfs/dbraw/zinc/38/07/21/474380721.db2.gz KAPVMGRXRFRDBA-YJBOKZPZSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916332 474384180 /nfs/dbraw/zinc/38/41/80/474384180.db2.gz APVFDUMOPGONOE-YLJYHZDGSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000265916332 474384187 /nfs/dbraw/zinc/38/41/87/474384187.db2.gz APVFDUMOPGONOE-YLJYHZDGSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237352420 474388199 /nfs/dbraw/zinc/38/81/99/474388199.db2.gz WGUVXNPXTLRABF-SFHVURJKSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CC(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000183531018 474390477 /nfs/dbraw/zinc/39/04/77/474390477.db2.gz INXLXNVQQITEOT-HOTGVXAUSA-N 1 3 335.536 2.734 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000289717506 474391554 /nfs/dbraw/zinc/39/15/54/474391554.db2.gz LDBAAEKDJWUGSN-RBUKOAKNSA-N 1 3 338.467 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000289717506 474391560 /nfs/dbraw/zinc/39/15/60/474391560.db2.gz LDBAAEKDJWUGSN-RBUKOAKNSA-N 1 3 338.467 2.994 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000289717510 474391604 /nfs/dbraw/zinc/39/16/04/474391604.db2.gz LDBAAEKDJWUGSN-RTBURBONSA-N 1 3 338.467 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000289717510 474391612 /nfs/dbraw/zinc/39/16/12/474391612.db2.gz LDBAAEKDJWUGSN-RTBURBONSA-N 1 3 338.467 2.994 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCCN2)CCCC1)c1ccccc1 ZINC000237402319 474395632 /nfs/dbraw/zinc/39/56/32/474395632.db2.gz VRPSYOJOHPNZNR-SJLPKXTDSA-N 1 3 329.488 2.908 20 0 EFADHO C[C@@H](CC(=O)NC1CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237400658 474396035 /nfs/dbraw/zinc/39/60/35/474396035.db2.gz LOQCUXHXSFXENH-KRWDZBQOSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N)CCCCC2)CC1 ZINC000237407750 474396713 /nfs/dbraw/zinc/39/67/13/474396713.db2.gz VOEXVPRGKPBWAL-MRXNPFEDSA-N 1 3 329.488 2.990 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)O1 ZINC000237404437 474397473 /nfs/dbraw/zinc/39/74/73/474397473.db2.gz SNRHRHZRGYKWDZ-QZTJIDSGSA-N 1 3 342.487 2.851 20 0 EFADHO C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)[C@@H]1C[NH3+] ZINC000237418487 474400545 /nfs/dbraw/zinc/40/05/45/474400545.db2.gz BUYLHQMDYNCDNQ-SZVBFZGTSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000237433064 474402638 /nfs/dbraw/zinc/40/26/38/474402638.db2.gz YKPQJONCVRHEGP-FXAWDEMLSA-N 1 3 339.483 2.961 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000237433064 474402643 /nfs/dbraw/zinc/40/26/43/474402643.db2.gz YKPQJONCVRHEGP-FXAWDEMLSA-N 1 3 339.483 2.961 20 0 EFADHO CSc1cc2c(cc1CN(C)CC1CC[NH+](C)CC1)OCCO2 ZINC000271151288 474405859 /nfs/dbraw/zinc/40/58/59/474405859.db2.gz DPDNBKNXNNGZFD-UHFFFAOYSA-N 1 3 336.501 2.953 20 0 EFADHO C[C@@H](C(=O)NC1CCC([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237479725 474414649 /nfs/dbraw/zinc/41/46/49/474414649.db2.gz LODJGTHZWZDUTQ-DZIBYMRMSA-N 1 3 343.515 2.716 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H](NCCC[N@H+](C)CCOC)c2ccccc21 ZINC000283494969 474418219 /nfs/dbraw/zinc/41/82/19/474418219.db2.gz YHYZUOKHWQQGAA-RBUKOAKNSA-N 1 3 348.487 2.726 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H](NCCC[N@@H+](C)CCOC)c2ccccc21 ZINC000283494969 474418224 /nfs/dbraw/zinc/41/82/24/474418224.db2.gz YHYZUOKHWQQGAA-RBUKOAKNSA-N 1 3 348.487 2.726 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237513231 474421458 /nfs/dbraw/zinc/42/14/58/474421458.db2.gz JZTUPXNNEOWICX-MJQMVNBJSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237513231 474421467 /nfs/dbraw/zinc/42/14/67/474421467.db2.gz JZTUPXNNEOWICX-MJQMVNBJSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000237549724 474427972 /nfs/dbraw/zinc/42/79/72/474427972.db2.gz SSTAADRRMRAMJJ-GOSISDBHSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@]1(C(=O)NCC2CCN(Cc3cccs3)CC2)CCCC[NH2+]1 ZINC000237577325 474433555 /nfs/dbraw/zinc/43/35/55/474433555.db2.gz SSTAADRRMRAMJJ-SFHVURJKSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000237590813 474435873 /nfs/dbraw/zinc/43/58/73/474435873.db2.gz DPCRUQXMQSPCAB-POAQFYNOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000237606181 474439429 /nfs/dbraw/zinc/43/94/29/474439429.db2.gz YKPQJONCVRHEGP-YLJYHZDGSA-N 1 3 339.483 2.961 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@@H](N)c1ccccc1 ZINC000237606181 474439435 /nfs/dbraw/zinc/43/94/35/474439435.db2.gz YKPQJONCVRHEGP-YLJYHZDGSA-N 1 3 339.483 2.961 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000176349520 474447058 /nfs/dbraw/zinc/44/70/58/474447058.db2.gz QQZOGWOFTANPEP-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237652154 474450068 /nfs/dbraw/zinc/45/00/68/474450068.db2.gz PKRHLSBGJRUDQN-SJORKVTESA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCCC2)C1 ZINC000237671302 474455126 /nfs/dbraw/zinc/45/51/26/474455126.db2.gz DCQFFUVRJHPVOJ-INIZCTEOSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCCC2)C1 ZINC000237671302 474455132 /nfs/dbraw/zinc/45/51/32/474455132.db2.gz DCQFFUVRJHPVOJ-INIZCTEOSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000237671752 474456111 /nfs/dbraw/zinc/45/61/11/474456111.db2.gz GMDNFQMUYYNCTE-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000237671752 474456113 /nfs/dbraw/zinc/45/61/13/474456113.db2.gz GMDNFQMUYYNCTE-LPHOPBHVSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237707417 474461960 /nfs/dbraw/zinc/46/19/60/474461960.db2.gz GNRHOZKACLYXNM-HOTGVXAUSA-N 1 3 329.488 2.533 20 0 EFADHO Cc1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000237725948 474465572 /nfs/dbraw/zinc/46/55/72/474465572.db2.gz STACLFQCOAICCT-HXUWFJFHSA-N 1 3 345.487 2.798 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237727325 474466415 /nfs/dbraw/zinc/46/64/15/474466415.db2.gz KAQQSLOBQPDCAL-UHFFFAOYSA-N 1 3 329.488 2.595 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000248879674 474467921 /nfs/dbraw/zinc/46/79/21/474467921.db2.gz PYRJWZPYVUDDPP-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000248879674 474467932 /nfs/dbraw/zinc/46/79/32/474467932.db2.gz PYRJWZPYVUDDPP-DLBZAZTESA-N 1 3 346.519 2.668 20 0 EFADHO [NH3+]CC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCCC1 ZINC000237763224 474471660 /nfs/dbraw/zinc/47/16/60/474471660.db2.gz ATQHHSDPZBJEAZ-UHFFFAOYSA-N 1 3 347.528 2.736 20 0 EFADHO NC[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237800206 474478461 /nfs/dbraw/zinc/47/84/61/474478461.db2.gz TZMXPNYWNVBRPC-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO NC[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000237800206 474478465 /nfs/dbraw/zinc/47/84/65/474478465.db2.gz TZMXPNYWNVBRPC-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO NC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000237801301 474479075 /nfs/dbraw/zinc/47/90/75/474479075.db2.gz FYTBMVSGWLKJRD-QUCCMNQESA-N 1 3 343.515 2.844 20 0 EFADHO NC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000237800727 474479323 /nfs/dbraw/zinc/47/93/23/474479323.db2.gz FYTBMVSGWLKJRD-ICSRJNTNSA-N 1 3 343.515 2.844 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248914495 474482364 /nfs/dbraw/zinc/48/23/64/474482364.db2.gz SJYSBEPXYYDXII-QFBILLFUSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248914495 474482367 /nfs/dbraw/zinc/48/23/67/474482367.db2.gz SJYSBEPXYYDXII-QFBILLFUSA-N 1 3 339.524 2.907 20 0 EFADHO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248941634 474487134 /nfs/dbraw/zinc/48/71/34/474487134.db2.gz CTBUCISXHLBTOB-TWFHAPMSSA-N 1 3 345.531 2.893 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)CCO1 ZINC000271324067 474491209 /nfs/dbraw/zinc/49/12/09/474491209.db2.gz YVADLAIUPJKAKF-SJLPKXTDSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043065 474509729 /nfs/dbraw/zinc/50/97/29/474509729.db2.gz VGHCVIVYOYYXIV-ZCRFILTFSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCN1C(=O)OC(C)(C)C ZINC000249043065 474509732 /nfs/dbraw/zinc/50/97/32/474509732.db2.gz VGHCVIVYOYYXIV-ZCRFILTFSA-N 1 3 337.508 2.989 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000237969194 474512604 /nfs/dbraw/zinc/51/26/04/474512604.db2.gz XYJAGQAYNFZXAM-RTBURBONSA-N 1 3 341.499 2.638 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000237968741 474513298 /nfs/dbraw/zinc/51/32/98/474513298.db2.gz XYJAGQAYNFZXAM-RBUKOAKNSA-N 1 3 341.499 2.638 20 0 EFADHO [NH3+]Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000237971437 474513904 /nfs/dbraw/zinc/51/39/04/474513904.db2.gz DTCMQSZAEGHZPX-INIZCTEOSA-N 1 3 329.469 2.774 20 0 EFADHO Cc1c(-c2cc(CN3CCC(CC[NH+](C)C)CC3)on2)cnn1C ZINC000184467138 474520473 /nfs/dbraw/zinc/52/04/73/474520473.db2.gz MKOGGSDMTQSDBK-UHFFFAOYSA-N 1 3 331.464 2.547 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000249089939 474523823 /nfs/dbraw/zinc/52/38/23/474523823.db2.gz NTZMYOKHTYXBAV-MBOZVWFJSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000266905746 474524564 /nfs/dbraw/zinc/52/45/64/474524564.db2.gz QZXGEYGBPRVKJI-YLJYHZDGSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)C2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000266905746 474524567 /nfs/dbraw/zinc/52/45/67/474524567.db2.gz QZXGEYGBPRVKJI-YLJYHZDGSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000290027128 474531385 /nfs/dbraw/zinc/53/13/85/474531385.db2.gz NCRIUIARMDXXKX-HKUYNNGSSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000290027128 474531391 /nfs/dbraw/zinc/53/13/91/474531391.db2.gz NCRIUIARMDXXKX-HKUYNNGSSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@@H](NC[C@](C)(O)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271406886 474531846 /nfs/dbraw/zinc/53/18/46/474531846.db2.gz AAJXGCVNQBNKCH-DOMZBBRYSA-N 1 3 334.382 2.591 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2scnc2C)[C@H](C)C1 ZINC000190003471 474534288 /nfs/dbraw/zinc/53/42/88/474534288.db2.gz OUHVQNILPVKLOC-GDBMZVCRSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2scnc2C)[C@H](C)C1 ZINC000190003471 474534297 /nfs/dbraw/zinc/53/42/97/474534297.db2.gz OUHVQNILPVKLOC-GDBMZVCRSA-N 1 3 325.522 2.721 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000290051766 474540456 /nfs/dbraw/zinc/54/04/56/474540456.db2.gz UCJSGTCSIYROIH-QZTJIDSGSA-N 1 3 347.528 2.605 20 0 EFADHO Cc1ccc2nc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)cn2c1 ZINC000283980189 474541029 /nfs/dbraw/zinc/54/10/29/474541029.db2.gz ODRRXAQWVLFKOZ-CALCHBBNSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@@H](Cn1cccn1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271459950 474556687 /nfs/dbraw/zinc/55/66/87/474556687.db2.gz UCUGWHSJZOWYSJ-KRWDZBQOSA-N 1 3 341.503 2.592 20 0 EFADHO CC1(C(=O)NCCN2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184659237 474576645 /nfs/dbraw/zinc/57/66/45/474576645.db2.gz GRWIZHCGVHYBBA-UHFFFAOYSA-N 1 3 343.515 2.891 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245396574 474578023 /nfs/dbraw/zinc/57/80/23/474578023.db2.gz LTAIKBAAHGUHQV-FUHWJXTLSA-N 1 3 334.508 2.627 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000245396574 474578027 /nfs/dbraw/zinc/57/80/27/474578027.db2.gz LTAIKBAAHGUHQV-FUHWJXTLSA-N 1 3 334.508 2.627 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000249525024 474586095 /nfs/dbraw/zinc/58/60/95/474586095.db2.gz RWDSOQGTNJMUKG-ZWKOTPCHSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000249525024 474586099 /nfs/dbraw/zinc/58/60/99/474586099.db2.gz RWDSOQGTNJMUKG-ZWKOTPCHSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249836146 474620297 /nfs/dbraw/zinc/62/02/97/474620297.db2.gz WQVJCAAMLMOVJA-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249836146 474620302 /nfs/dbraw/zinc/62/03/02/474620302.db2.gz WQVJCAAMLMOVJA-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000267223680 474622822 /nfs/dbraw/zinc/62/28/22/474622822.db2.gz JNPCSLUMJGFLPT-OKZBNKHCSA-N 1 3 347.503 2.883 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000267223682 474623224 /nfs/dbraw/zinc/62/32/24/474623224.db2.gz JNPCSLUMJGFLPT-SQNIBIBYSA-N 1 3 347.503 2.883 20 0 EFADHO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1=CCN(C)CC1)CC3 ZINC000272857330 474627705 /nfs/dbraw/zinc/62/77/05/474627705.db2.gz ILMGKKIHOGSGIJ-HNNXBMFYSA-N 1 3 325.456 2.885 20 0 EFADHO C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267254124 474629548 /nfs/dbraw/zinc/62/95/48/474629548.db2.gz OVBPSUBKPVJFHW-UTKZUKDTSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291619122 474632658 /nfs/dbraw/zinc/63/26/58/474632658.db2.gz TZBVMUGHJDEMMB-DJIMGWMZSA-N 1 3 332.444 2.527 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291619122 474632665 /nfs/dbraw/zinc/63/26/65/474632665.db2.gz TZBVMUGHJDEMMB-DJIMGWMZSA-N 1 3 332.444 2.527 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423567 474640379 /nfs/dbraw/zinc/64/03/79/474640379.db2.gz GHWYRHSLXZOFGT-HZPDHXFCSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423567 474640383 /nfs/dbraw/zinc/64/03/83/474640383.db2.gz GHWYRHSLXZOFGT-HZPDHXFCSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000252651820 474703095 /nfs/dbraw/zinc/70/30/95/474703095.db2.gz IWFGWFNPMRACHW-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000252651820 474703105 /nfs/dbraw/zinc/70/31/05/474703105.db2.gz IWFGWFNPMRACHW-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCN1C1CC1 ZINC000278581952 474717474 /nfs/dbraw/zinc/71/74/74/474717474.db2.gz HJKZOBOIUUXGLT-LJQANCHMSA-N 1 3 329.488 2.724 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000340855347 474720596 /nfs/dbraw/zinc/72/05/96/474720596.db2.gz AMXJXHSYBKORGG-IPELMVKDSA-N 1 3 346.519 2.634 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N(C)C)cc1 ZINC000340855347 474720602 /nfs/dbraw/zinc/72/06/02/474720602.db2.gz AMXJXHSYBKORGG-IPELMVKDSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000338910581 474724019 /nfs/dbraw/zinc/72/40/19/474724019.db2.gz ATTXMFLOTAHISK-HNAYVOBHSA-N 1 3 347.478 2.761 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC)N(C)C)cc1 ZINC000340858201 474724382 /nfs/dbraw/zinc/72/43/82/474724382.db2.gz KCVOOGUNDCRRBO-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC)N(C)C)cc1 ZINC000340858201 474724392 /nfs/dbraw/zinc/72/43/92/474724392.db2.gz KCVOOGUNDCRRBO-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876013 474740483 /nfs/dbraw/zinc/74/04/83/474740483.db2.gz GVQTYSDSSSTJDN-YESZJQIVSA-N 1 3 349.544 2.835 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000340876013 474740492 /nfs/dbraw/zinc/74/04/92/474740492.db2.gz GVQTYSDSSSTJDN-YESZJQIVSA-N 1 3 349.544 2.835 20 0 EFADHO Cn1cc(-c2ccc(CN3CCC(OCC[NH+](C)C)CC3)s2)cn1 ZINC000338945513 474761585 /nfs/dbraw/zinc/76/15/85/474761585.db2.gz NSODCTQRHSMXKY-UHFFFAOYSA-N 1 3 348.516 2.691 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000340899766 474762377 /nfs/dbraw/zinc/76/23/77/474762377.db2.gz YYRZMOHUGMXHCM-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000340899766 474762381 /nfs/dbraw/zinc/76/23/81/474762381.db2.gz YYRZMOHUGMXHCM-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO CC[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(CC)CC ZINC000344548977 474763304 /nfs/dbraw/zinc/76/33/04/474763304.db2.gz VLUAUBVMIXUDGH-OKZBNKHCSA-N 1 3 325.541 2.981 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@H]1CCC[C@@H]1O)C1CCN(C)CC1 ZINC000305749025 474765634 /nfs/dbraw/zinc/76/56/34/474765634.db2.gz WOCGVQVCPVJMHR-NQIIRXRSSA-N 1 3 345.531 2.810 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@H]1CCC[C@@H]1O)C1CCN(C)CC1 ZINC000305749025 474765638 /nfs/dbraw/zinc/76/56/38/474765638.db2.gz WOCGVQVCPVJMHR-NQIIRXRSSA-N 1 3 345.531 2.810 20 0 EFADHO CCOc1c(OC)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000278699426 474782869 /nfs/dbraw/zinc/78/28/69/474782869.db2.gz KYGUYFLGRMSOCQ-MQVJKMGUSA-N 1 3 334.460 2.817 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@@H+]1C ZINC000340928555 474786865 /nfs/dbraw/zinc/78/68/65/474786865.db2.gz DRVLHGIZGFEPRK-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000340928555 474786868 /nfs/dbraw/zinc/78/68/68/474786868.db2.gz DRVLHGIZGFEPRK-NZSAHSFTSA-N 1 3 344.503 2.605 20 0 EFADHO CSC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000305829905 474794581 /nfs/dbraw/zinc/79/45/81/474794581.db2.gz DJBOEFYPCCJQKI-FCGDIQPGSA-N 1 3 334.529 2.601 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000340937139 474797158 /nfs/dbraw/zinc/79/71/58/474797158.db2.gz PWWQCWPDVDGNKW-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CSCC[C@H](CO)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000305876762 474803275 /nfs/dbraw/zinc/80/32/75/474803275.db2.gz RQYREURZQXHULZ-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000305876762 474803281 /nfs/dbraw/zinc/80/32/81/474803281.db2.gz RQYREURZQXHULZ-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CSCC[C@H](CO)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000305876762 474803292 /nfs/dbraw/zinc/80/32/92/474803292.db2.gz RQYREURZQXHULZ-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO C[NH+](C)C[C@@](C)(O)CNCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000337234578 474809721 /nfs/dbraw/zinc/80/97/21/474809721.db2.gz BKFUTZFEEFFQRH-FQEVSTJZSA-N 1 3 348.437 2.999 20 0 EFADHO O[C@H](C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000307935264 474813308 /nfs/dbraw/zinc/81/33/08/474813308.db2.gz KQTALYRNCLPVAY-ULQDDVLXSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000307935264 474813314 /nfs/dbraw/zinc/81/33/14/474813314.db2.gz KQTALYRNCLPVAY-ULQDDVLXSA-N 1 3 342.405 2.754 20 0 EFADHO C[N@H+](CCCN1CCCC1)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000337239887 474814223 /nfs/dbraw/zinc/81/42/23/474814223.db2.gz ZXOWMJKKTWUZJZ-HXUWFJFHSA-N 1 3 343.515 2.988 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000337239887 474814232 /nfs/dbraw/zinc/81/42/32/474814232.db2.gz ZXOWMJKKTWUZJZ-HXUWFJFHSA-N 1 3 343.515 2.988 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000623071046 480127739 /nfs/dbraw/zinc/12/77/39/480127739.db2.gz ZGNJLICUTWZTDA-GOSISDBHSA-N 1 3 344.503 2.990 20 0 EFADHO C[N@H+](CCCN1CCCC1)CCC(=O)NCc1ccccc1Cl ZINC000337245389 474820379 /nfs/dbraw/zinc/82/03/79/474820379.db2.gz IMRLLQHLSRWNKV-UHFFFAOYSA-N 1 3 337.895 2.764 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)NCc1ccccc1Cl ZINC000337245389 474820388 /nfs/dbraw/zinc/82/03/88/474820388.db2.gz IMRLLQHLSRWNKV-UHFFFAOYSA-N 1 3 337.895 2.764 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccsc1 ZINC000278768243 474825146 /nfs/dbraw/zinc/82/51/46/474825146.db2.gz GOLICPOSCAIUCQ-MRXNPFEDSA-N 1 3 335.517 2.876 20 0 EFADHO C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(=O)NC(C)(C)C ZINC000310519655 474828167 /nfs/dbraw/zinc/82/81/67/474828167.db2.gz NGRMXKKDNQSKGF-XYJFISCASA-N 1 3 331.504 2.790 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000340969306 474831188 /nfs/dbraw/zinc/83/11/88/474831188.db2.gz ZYNLMDOOOHAKFG-LPHOPBHVSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000340969306 474831193 /nfs/dbraw/zinc/83/11/93/474831193.db2.gz ZYNLMDOOOHAKFG-LPHOPBHVSA-N 1 3 346.519 2.809 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000310971174 474833817 /nfs/dbraw/zinc/83/38/17/474833817.db2.gz DIIBXSLGQKJKJP-QUCCMNQESA-N 1 3 343.515 2.795 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311207200 474837470 /nfs/dbraw/zinc/83/74/70/474837470.db2.gz JTYAGALYIUGWNT-PWRODBHTSA-N 1 3 346.515 2.618 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311207200 474837479 /nfs/dbraw/zinc/83/74/79/474837479.db2.gz JTYAGALYIUGWNT-PWRODBHTSA-N 1 3 346.515 2.618 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000340981418 474843152 /nfs/dbraw/zinc/84/31/52/474843152.db2.gz FCMWRMCBEKFKNN-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H]1CC2(CN1C(=O)Nc1cccc(CN(C)C)c1)CC[NH2+]CC2 ZINC000623072633 480129269 /nfs/dbraw/zinc/12/92/69/480129269.db2.gz KBGCUWLMBUGFNB-HNNXBMFYSA-N 1 3 330.476 2.744 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(OCc2nccn2C)cc1 ZINC000293245959 474889525 /nfs/dbraw/zinc/88/95/25/474889525.db2.gz BJQYUEFMSUDVAY-JKSUJKDBSA-N 1 3 330.476 2.847 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1cccc(OC)c1 ZINC000292190669 474894870 /nfs/dbraw/zinc/89/48/70/474894870.db2.gz XNEZNIJIRDTKGX-MJGOQNOKSA-N 1 3 347.503 2.727 20 0 EFADHO CCc1cc(OC)ccc1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000337328416 474901167 /nfs/dbraw/zinc/90/11/67/474901167.db2.gz DYPGBTKFNFXOED-UHFFFAOYSA-N 1 3 345.531 2.906 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000292203027 474902566 /nfs/dbraw/zinc/90/25/66/474902566.db2.gz YJHZYCWZYPXBIF-HOTGVXAUSA-N 1 3 335.517 2.609 20 0 EFADHO CN(C)CCN(C)CCC[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000623087836 480133127 /nfs/dbraw/zinc/13/31/27/480133127.db2.gz KTEKMXIXCCUJDJ-UHFFFAOYSA-N 1 3 326.488 2.722 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCN(C)CCN(C)C)CCN1Cc1ccccc1 ZINC000623087134 480133161 /nfs/dbraw/zinc/13/31/61/480133161.db2.gz BAZBHALMIVTDBY-TZIWHRDSSA-N 1 3 346.563 2.513 20 0 EFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000337334352 474907400 /nfs/dbraw/zinc/90/74/00/474907400.db2.gz KQTVOJSXFCSAJY-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CCN(C2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000337334352 474907407 /nfs/dbraw/zinc/90/74/07/474907407.db2.gz KQTVOJSXFCSAJY-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000278909655 474909862 /nfs/dbraw/zinc/90/98/62/474909862.db2.gz JMACXPDUCLWGKI-PWRODBHTSA-N 1 3 343.515 2.793 20 0 EFADHO CC(C)OC[C@H](C)[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000337344239 474917611 /nfs/dbraw/zinc/91/76/11/474917611.db2.gz TUTKQWXFCAOVJH-IBGZPJMESA-N 1 3 333.520 2.992 20 0 EFADHO CN(c1ccccc1CNC[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000268308263 474917574 /nfs/dbraw/zinc/91/75/74/474917574.db2.gz APWFGAXGQPUOPE-IBGZPJMESA-N 1 3 331.504 2.876 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000337350911 474923950 /nfs/dbraw/zinc/92/39/50/474923950.db2.gz UHSUCIAHWPKLBT-WMZOPIPTSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000337353188 474927588 /nfs/dbraw/zinc/92/75/88/474927588.db2.gz AWWIDVZRJHKVRA-SQNIBIBYSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000337353188 474927598 /nfs/dbraw/zinc/92/75/98/474927598.db2.gz AWWIDVZRJHKVRA-SQNIBIBYSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000337354138 474929596 /nfs/dbraw/zinc/92/95/96/474929596.db2.gz CQVXECCPFRXUHY-ZHALLVOQSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1CCCC[C@H]1C ZINC000337354138 474929605 /nfs/dbraw/zinc/92/96/05/474929605.db2.gz CQVXECCPFRXUHY-ZHALLVOQSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337361046 474938476 /nfs/dbraw/zinc/93/84/76/474938476.db2.gz FSXSATRSPCJZCN-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000278980729 474954799 /nfs/dbraw/zinc/95/47/99/474954799.db2.gz YNGOPFOAFHGTKE-IEBWSBKVSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000278980729 474954803 /nfs/dbraw/zinc/95/48/03/474954803.db2.gz YNGOPFOAFHGTKE-IEBWSBKVSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000278980729 474954804 /nfs/dbraw/zinc/95/48/04/474954804.db2.gz YNGOPFOAFHGTKE-IEBWSBKVSA-N 1 3 341.499 2.784 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2N2CCOCC2)[C@@H](C)C1 ZINC000345170331 474957169 /nfs/dbraw/zinc/95/71/69/474957169.db2.gz BQUYWTGTGDZPDY-PKOBYXMFSA-N 1 3 331.504 2.652 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323925295 474959013 /nfs/dbraw/zinc/95/90/13/474959013.db2.gz OVDIVVCQJYGASY-RTBURBONSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@H]1CCCN(CCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000337385529 474962312 /nfs/dbraw/zinc/96/23/12/474962312.db2.gz WYNVDNXFDHAZIT-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO C[NH+](C)CCNC(=O)C1CCN(Cc2cccc(C(F)F)c2)CC1 ZINC000345185461 474970286 /nfs/dbraw/zinc/97/02/86/474970286.db2.gz IPAAHWKQCWRRRK-UHFFFAOYSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000261546461 474981819 /nfs/dbraw/zinc/98/18/19/474981819.db2.gz YKPQJONCVRHEGP-PXNSSMCTSA-N 1 3 339.483 2.961 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[C@H](N)c1ccccc1 ZINC000261546461 474981823 /nfs/dbraw/zinc/98/18/23/474981823.db2.gz YKPQJONCVRHEGP-PXNSSMCTSA-N 1 3 339.483 2.961 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000261566243 474985488 /nfs/dbraw/zinc/98/54/88/474985488.db2.gz YYDVIUCSFPUKSA-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO C[C@H](NC(=O)c1ccc2c(c1)CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577190 474985702 /nfs/dbraw/zinc/98/57/02/474985702.db2.gz CNBLSSDBCAROIJ-JXFKEZNVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H](NC(=O)c1ccc2c(c1)CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577190 474985707 /nfs/dbraw/zinc/98/57/07/474985707.db2.gz CNBLSSDBCAROIJ-JXFKEZNVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000326670919 475008427 /nfs/dbraw/zinc/00/84/27/475008427.db2.gz MPEYFWKNEBMOFW-ZDUSSCGKSA-N 1 3 337.427 2.571 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000261645179 475008532 /nfs/dbraw/zinc/00/85/32/475008532.db2.gz IWLLHXVJZMIWGU-UHFFFAOYSA-N 1 3 333.476 2.865 20 0 EFADHO CCN(Cc1ccc(Cl)cc1-n1cncn1)[C@H]1CCC[NH2+]CC1 ZINC000261644359 475008961 /nfs/dbraw/zinc/00/89/61/475008961.db2.gz AOQYRWJJORTGSH-INIZCTEOSA-N 1 3 333.867 2.885 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000341135730 475014888 /nfs/dbraw/zinc/01/48/88/475014888.db2.gz HMQHCYQDFVEJRL-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000341135730 475014893 /nfs/dbraw/zinc/01/48/93/475014893.db2.gz HMQHCYQDFVEJRL-ROUUACIJSA-N 1 3 346.519 2.538 20 0 EFADHO CN1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000268505201 475018977 /nfs/dbraw/zinc/01/89/77/475018977.db2.gz AXJLZNQJEDSWKI-DLBZAZTESA-N 1 3 327.476 2.783 20 0 EFADHO CN1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000268505201 475018984 /nfs/dbraw/zinc/01/89/84/475018984.db2.gz AXJLZNQJEDSWKI-DLBZAZTESA-N 1 3 327.476 2.783 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261674741 475019413 /nfs/dbraw/zinc/01/94/13/475019413.db2.gz AWFPHXNDCFEDLL-ICSRJNTNSA-N 1 3 343.515 2.747 20 0 EFADHO CCc1nocc1CNCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000339189304 475019604 /nfs/dbraw/zinc/01/96/04/475019604.db2.gz OBPHJBZZIKCADB-UHFFFAOYSA-N 1 3 342.487 2.664 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261698131 475030184 /nfs/dbraw/zinc/03/01/84/475030184.db2.gz OLQJIWAEEGSESI-IIDMSEBBSA-N 1 3 349.906 2.981 20 0 EFADHO C[NH+](C)CCOc1ccc(NC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000261709699 475035579 /nfs/dbraw/zinc/03/55/79/475035579.db2.gz PLDBUOKZEQIMPH-GOSISDBHSA-N 1 3 333.476 2.863 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@@H](C)[C@H]1OC ZINC000337459139 475036545 /nfs/dbraw/zinc/03/65/45/475036545.db2.gz JKCRSXUTZSPHAH-GUDVDZBRSA-N 1 3 339.568 2.832 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000268760474 475040400 /nfs/dbraw/zinc/04/04/00/475040400.db2.gz NKZKOEHOFRUJBO-SJLPKXTDSA-N 1 3 341.455 2.652 20 0 EFADHO C[C@@H]1C[C@H](NCCNC(=O)c2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000268760474 475040410 /nfs/dbraw/zinc/04/04/10/475040410.db2.gz NKZKOEHOFRUJBO-SJLPKXTDSA-N 1 3 341.455 2.652 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)C[C@H]1CC=CCC1 ZINC000337467960 475045378 /nfs/dbraw/zinc/04/53/78/475045378.db2.gz NWHYEFVWNTVBFL-FQEVSTJZSA-N 1 3 337.552 2.707 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)C[C@H]1CC=CCC1 ZINC000337467960 475045387 /nfs/dbraw/zinc/04/53/87/475045387.db2.gz NWHYEFVWNTVBFL-FQEVSTJZSA-N 1 3 337.552 2.707 20 0 EFADHO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000261773288 475058738 /nfs/dbraw/zinc/05/87/38/475058738.db2.gz ONKKKKLJYVUOQM-GUDVDZBRSA-N 1 3 329.488 2.532 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](COC)Cc2ccccc2)[C@H](C)C1 ZINC000268918019 475070430 /nfs/dbraw/zinc/07/04/30/475070430.db2.gz OIHPUZKVUBGMQT-GIVPXCGWSA-N 1 3 348.531 2.971 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](COC)Cc2ccccc2)[C@H](C)C1 ZINC000268918019 475070437 /nfs/dbraw/zinc/07/04/37/475070437.db2.gz OIHPUZKVUBGMQT-GIVPXCGWSA-N 1 3 348.531 2.971 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000261830815 475077926 /nfs/dbraw/zinc/07/79/26/475077926.db2.gz NDEIHXLRHKFQTN-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000261830719 475078508 /nfs/dbraw/zinc/07/85/08/475078508.db2.gz NCTWNZVVSFMXCR-AZUAARDMSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000268949057 475088799 /nfs/dbraw/zinc/08/87/99/475088799.db2.gz BSOCOXKFOMZGEN-UONOGXRCSA-N 1 3 333.501 2.835 20 0 EFADHO Cc1cc(NC(=O)CC[C@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000261891455 475102120 /nfs/dbraw/zinc/10/21/20/475102120.db2.gz TYNWPHKXICCHCG-KRWDZBQOSA-N 1 3 345.487 2.798 20 0 EFADHO C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(OCCN(C)C)cc1 ZINC000268972278 475103813 /nfs/dbraw/zinc/10/38/13/475103813.db2.gz IHJISWIIBSJBAI-MRXNPFEDSA-N 1 3 328.460 2.785 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268991349 475115374 /nfs/dbraw/zinc/11/53/74/475115374.db2.gz MMYYWZMULHIQMW-CYBMUJFWSA-N 1 3 346.393 2.735 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000261978220 475133059 /nfs/dbraw/zinc/13/30/59/475133059.db2.gz GVQOUQUDHSCICW-IRXDYDNUSA-N 1 3 331.504 2.616 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000261982136 475135259 /nfs/dbraw/zinc/13/52/59/475135259.db2.gz IHKUCRVVNMMSFJ-MEOONVRBSA-N 1 3 347.547 2.781 20 0 EFADHO C[C@H](C(=O)N1CC[C@@](C)(C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000261991135 475139296 /nfs/dbraw/zinc/13/92/96/475139296.db2.gz MTNBYSYAOYINDH-UTKZUKDTSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000341563648 475146314 /nfs/dbraw/zinc/14/63/14/475146314.db2.gz WUEWMRHFJGKAHS-CALCHBBNSA-N 1 3 336.524 2.519 20 0 EFADHO [NH3+]CC1CCN(CCOc2cc(F)cc(Br)c2)CC1 ZINC000262121978 475178784 /nfs/dbraw/zinc/17/87/84/475178784.db2.gz MEUNZOYGENYONN-UHFFFAOYSA-N 1 3 331.229 2.638 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296057629 475181517 /nfs/dbraw/zinc/18/15/17/475181517.db2.gz RNZANQLLLNYZER-INIZCTEOSA-N 1 3 336.911 2.730 20 0 EFADHO C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H](N)c1ccccc1 ZINC000262151863 475184976 /nfs/dbraw/zinc/18/49/76/475184976.db2.gz FZUKDIQYIKKASZ-HNAYVOBHSA-N 1 3 341.455 2.902 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(OC[C@@H]4CCCO4)cc3)C[C@@H]21 ZINC000262174703 475191378 /nfs/dbraw/zinc/19/13/78/475191378.db2.gz VRQKJXOXWNCVRU-BTHPGYMESA-N 1 3 330.472 2.804 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000262180779 475191810 /nfs/dbraw/zinc/19/18/10/475191810.db2.gz ZJXQYHGIVNTFMD-BXWFABGCSA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NCCOc1cc(F)cc(Br)c1 ZINC000262196441 475195843 /nfs/dbraw/zinc/19/58/43/475195843.db2.gz ZLFQDVSXQLPOSY-AWEZNQCLSA-N 1 3 333.245 2.930 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296098332 475196325 /nfs/dbraw/zinc/19/63/25/475196325.db2.gz UHVOTMNUEFOOCY-INIZCTEOSA-N 1 3 336.911 2.728 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262208002 475199581 /nfs/dbraw/zinc/19/95/81/475199581.db2.gz XIPZEZPWPAANMR-CRAIPNDOSA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262208002 475199586 /nfs/dbraw/zinc/19/95/86/475199586.db2.gz XIPZEZPWPAANMR-CRAIPNDOSA-N 1 3 349.544 2.758 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000262263096 475209519 /nfs/dbraw/zinc/20/95/19/475209519.db2.gz GWYUWLDPDDMVDJ-JENIJYKNSA-N 1 3 347.503 2.712 20 0 EFADHO CC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cc(C)ccc1C ZINC000626019139 480157352 /nfs/dbraw/zinc/15/73/52/480157352.db2.gz MCOVJCOPNPKLLE-IBGZPJMESA-N 1 3 331.504 2.945 20 0 EFADHO c1ccc(OCCC[N@H+](C[C@H]2CCCNC2)C2CCOCC2)cc1 ZINC000339430630 475212393 /nfs/dbraw/zinc/21/23/93/475212393.db2.gz HHFURELEHPGPOE-SFHVURJKSA-N 1 3 332.488 2.936 20 0 EFADHO c1ccc(OCCC[N@@H+](C[C@H]2CCCNC2)C2CCOCC2)cc1 ZINC000339430630 475212397 /nfs/dbraw/zinc/21/23/97/475212397.db2.gz HHFURELEHPGPOE-SFHVURJKSA-N 1 3 332.488 2.936 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000339433330 475213612 /nfs/dbraw/zinc/21/36/12/475213612.db2.gz ORUGKEAMEPZHRF-SJORKVTESA-N 1 3 338.540 2.718 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cc(F)cc(F)c3)C2)C1 ZINC000339433975 475215370 /nfs/dbraw/zinc/21/53/70/475215370.db2.gz TYPNQYWUKFJVNO-SFHVURJKSA-N 1 3 337.414 2.711 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cc(F)cc(F)c3)C2)C1 ZINC000339433975 475215374 /nfs/dbraw/zinc/21/53/74/475215374.db2.gz TYPNQYWUKFJVNO-SFHVURJKSA-N 1 3 337.414 2.711 20 0 EFADHO O=C(N[C@@H]1CCCN(CC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000262307173 475216968 /nfs/dbraw/zinc/21/69/68/475216968.db2.gz YJGBRPLRSVTEAD-QGZVFWFLSA-N 1 3 341.455 2.627 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)C1 ZINC000262316039 475218889 /nfs/dbraw/zinc/21/88/89/475218889.db2.gz UKKZBGNVLUDSAX-BZUAXINKSA-N 1 3 335.517 2.594 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000262325522 475221048 /nfs/dbraw/zinc/22/10/48/475221048.db2.gz DISLSOJYEVCXLD-HOCLYGCPSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000337664510 475221543 /nfs/dbraw/zinc/22/15/43/475221543.db2.gz OPVHJMLYWXSNBN-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H]1C[C@@H](C(=O)Nc2ccccc2NC2CCN(C)CC2)CC[NH2+]1 ZINC000262335292 475222084 /nfs/dbraw/zinc/22/20/84/475222084.db2.gz GBYVVANLCJSMNA-GJZGRUSLSA-N 1 3 330.476 2.519 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000262368640 475225414 /nfs/dbraw/zinc/22/54/14/475225414.db2.gz JTQUPZIARCWOBH-PBWTXFEYSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000296230368 475231340 /nfs/dbraw/zinc/23/13/40/475231340.db2.gz CFDZKVKXVMZRSJ-QFBILLFUSA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)C[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000361173925 475243597 /nfs/dbraw/zinc/24/35/97/475243597.db2.gz OXGZLAZGQYUGLU-RBUKOAKNSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000361173925 475243608 /nfs/dbraw/zinc/24/36/08/475243608.db2.gz OXGZLAZGQYUGLU-RBUKOAKNSA-N 1 3 331.504 2.951 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000341714426 475244998 /nfs/dbraw/zinc/24/49/98/475244998.db2.gz SROZHPPRKYHHRF-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000341714420 475245380 /nfs/dbraw/zinc/24/53/80/475245380.db2.gz SROZHPPRKYHHRF-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262485619 475251946 /nfs/dbraw/zinc/25/19/46/475251946.db2.gz YNOMYBPDIMBFEO-IHPCNDPISA-N 1 3 343.515 2.745 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000345578089 475280156 /nfs/dbraw/zinc/28/01/56/475280156.db2.gz FLEBTYVIYCSSQK-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000345578089 475280164 /nfs/dbraw/zinc/28/01/64/475280164.db2.gz FLEBTYVIYCSSQK-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357976478 475305861 /nfs/dbraw/zinc/30/58/61/475305861.db2.gz QDWVPCNHLYMELT-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000357976478 475305870 /nfs/dbraw/zinc/30/58/70/475305870.db2.gz QDWVPCNHLYMELT-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361269030 475315916 /nfs/dbraw/zinc/31/59/16/475315916.db2.gz YPBDZOXUBCDGOH-SCTDSRPQSA-N 1 3 326.525 2.605 20 0 EFADHO CCN1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000358004998 475327591 /nfs/dbraw/zinc/32/75/91/475327591.db2.gz MGCXIAYLIJYBCX-FPOVZHCZSA-N 1 3 344.547 2.519 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCN2CCCOCC2)CC1 ZINC000361320068 475351224 /nfs/dbraw/zinc/35/12/24/475351224.db2.gz YCZXZDDHOIHHAM-IBGZPJMESA-N 1 3 337.552 2.685 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCN2CCCOCC2)CC1 ZINC000361320068 475351228 /nfs/dbraw/zinc/35/12/28/475351228.db2.gz YCZXZDDHOIHHAM-IBGZPJMESA-N 1 3 337.552 2.685 20 0 EFADHO CC(C)(C)N1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000337820469 475351751 /nfs/dbraw/zinc/35/17/51/475351751.db2.gz RIYCJDMHOYNJLM-UHFFFAOYSA-N 1 3 327.476 2.679 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@H](O)C(F)F ZINC000296518217 475352555 /nfs/dbraw/zinc/35/25/55/475352555.db2.gz PUNFOYBJSVCUIL-SFFUCWETSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)C(F)F ZINC000296518217 475352560 /nfs/dbraw/zinc/35/25/60/475352560.db2.gz PUNFOYBJSVCUIL-SFFUCWETSA-N 1 3 338.442 2.891 20 0 EFADHO CC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)C(F)F ZINC000296518217 475352565 /nfs/dbraw/zinc/35/25/65/475352565.db2.gz PUNFOYBJSVCUIL-SFFUCWETSA-N 1 3 338.442 2.891 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1OC ZINC000358060823 475368330 /nfs/dbraw/zinc/36/83/30/475368330.db2.gz LDYFIIDOBAACSW-BZSNNMDCSA-N 1 3 347.503 2.523 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1OC ZINC000358060823 475368336 /nfs/dbraw/zinc/36/83/36/475368336.db2.gz LDYFIIDOBAACSW-BZSNNMDCSA-N 1 3 347.503 2.523 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296557393 475370454 /nfs/dbraw/zinc/37/04/54/475370454.db2.gz RZLGEXUESLZLTA-NXEWRWPSSA-N 1 3 339.487 2.933 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296557393 475370458 /nfs/dbraw/zinc/37/04/58/475370458.db2.gz RZLGEXUESLZLTA-NXEWRWPSSA-N 1 3 339.487 2.933 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345695893 475374819 /nfs/dbraw/zinc/37/48/19/475374819.db2.gz QJNWSKKVBIQQBF-BBRMVZONSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345695893 475374824 /nfs/dbraw/zinc/37/48/24/475374824.db2.gz QJNWSKKVBIQQBF-BBRMVZONSA-N 1 3 339.430 2.517 20 0 EFADHO NCCC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)CC1CCCC1 ZINC000352519553 475375291 /nfs/dbraw/zinc/37/52/91/475375291.db2.gz PPZPMHHOJSENDN-UHFFFAOYSA-N 1 3 328.460 2.719 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2([C@@H](O)C(C)C)CC2)CC1 ZINC000345697517 475375368 /nfs/dbraw/zinc/37/53/68/475375368.db2.gz DPOKHABVBPDGQZ-FQEVSTJZSA-N 1 3 345.531 2.715 20 0 EFADHO NCCC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)CC1CCCC1 ZINC000352519553 475375294 /nfs/dbraw/zinc/37/52/94/475375294.db2.gz PPZPMHHOJSENDN-UHFFFAOYSA-N 1 3 328.460 2.719 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361354257 475379511 /nfs/dbraw/zinc/37/95/11/475379511.db2.gz JUIUTCUDTYRIMD-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]1C[C@@H](NCCC(=O)NC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000361352985 475380119 /nfs/dbraw/zinc/38/01/19/475380119.db2.gz GPPMLPIAKAIIMV-WMZOPIPTSA-N 1 3 331.504 2.934 20 0 EFADHO C[C@H]1C[C@@H](NCCC(=O)NC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000361352985 475380123 /nfs/dbraw/zinc/38/01/23/475380123.db2.gz GPPMLPIAKAIIMV-WMZOPIPTSA-N 1 3 331.504 2.934 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)Cn2ccnc2C)[C@H](C)C1 ZINC000358081782 475384931 /nfs/dbraw/zinc/38/49/31/475384931.db2.gz IHBBEOMIYBODLQ-SCTDSRPQSA-N 1 3 336.524 2.554 20 0 EFADHO CCC(CC)(CNC(=O)[C@@H](N)CC(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000345719397 475392412 /nfs/dbraw/zinc/39/24/12/475392412.db2.gz PSUMEFLFPHBYLP-ZFWWWQNUSA-N 1 3 341.446 2.995 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)CC(F)F)c2)CC1 ZINC000345724356 475396545 /nfs/dbraw/zinc/39/65/45/475396545.db2.gz XLOLPOIUGYLQIK-MRXNPFEDSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000345725285 475397218 /nfs/dbraw/zinc/39/72/18/475397218.db2.gz KHLQXKHLCIRLED-JZXOWHBKSA-N 1 3 346.519 2.898 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358101714 475399968 /nfs/dbraw/zinc/39/99/68/475399968.db2.gz ZCPJAOGLIFRHAO-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358101714 475399975 /nfs/dbraw/zinc/39/99/75/475399975.db2.gz ZCPJAOGLIFRHAO-CVEARBPZSA-N 1 3 326.529 2.526 20 0 EFADHO N[C@@H](CC(F)F)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000345727893 475400068 /nfs/dbraw/zinc/40/00/68/475400068.db2.gz VMLHZRPAIFDERS-INIZCTEOSA-N 1 3 339.430 2.661 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358100093 475401090 /nfs/dbraw/zinc/40/10/90/475401090.db2.gz XBKQGUGZFYKGOF-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358100093 475401098 /nfs/dbraw/zinc/40/10/98/475401098.db2.gz XBKQGUGZFYKGOF-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000361391525 475408401 /nfs/dbraw/zinc/40/84/01/475408401.db2.gz RKVVISKPNXIBHH-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913788 475408884 /nfs/dbraw/zinc/40/88/84/475408884.db2.gz BNHQATNDJRAMBI-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN(C)Cc2ccccc2)C1 ZINC000341913788 475408888 /nfs/dbraw/zinc/40/88/88/475408888.db2.gz BNHQATNDJRAMBI-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C1=CCN(C)CC1 ZINC000358113999 475412160 /nfs/dbraw/zinc/41/21/60/475412160.db2.gz QDBAXPVBHZWRMO-XYJFISCASA-N 1 3 348.535 2.589 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1=CCN(C)CC1 ZINC000358113999 475412166 /nfs/dbraw/zinc/41/21/66/475412166.db2.gz QDBAXPVBHZWRMO-XYJFISCASA-N 1 3 348.535 2.589 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CCCN1C ZINC000345761391 475427914 /nfs/dbraw/zinc/42/79/14/475427914.db2.gz VSONPWDMONQWBG-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000345761391 475427921 /nfs/dbraw/zinc/42/79/21/475427921.db2.gz VSONPWDMONQWBG-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CCN1CCOCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358146541 475438529 /nfs/dbraw/zinc/43/85/29/475438529.db2.gz DEXCNQUDDGEXLJ-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](CCN1CCOCC1)[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000358146541 475438537 /nfs/dbraw/zinc/43/85/37/475438537.db2.gz DEXCNQUDDGEXLJ-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000361431436 475446003 /nfs/dbraw/zinc/44/60/03/475446003.db2.gz DNKFESDDIBIFBL-HMXCVIKNSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CCO1 ZINC000361431436 475446011 /nfs/dbraw/zinc/44/60/11/475446011.db2.gz DNKFESDDIBIFBL-HMXCVIKNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)N1CCC(C)CC1 ZINC000341954736 475446447 /nfs/dbraw/zinc/44/64/47/475446447.db2.gz MANMFKAEFCFOGM-SJORKVTESA-N 1 3 340.556 2.772 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000358178733 475464911 /nfs/dbraw/zinc/46/49/11/475464911.db2.gz ZBSHNKNAYFVZQW-LXPRWKDFSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000358178733 475464917 /nfs/dbraw/zinc/46/49/17/475464917.db2.gz ZBSHNKNAYFVZQW-LXPRWKDFSA-N 1 3 338.540 2.621 20 0 EFADHO CCC[C@H](C(=O)OCC)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354881722 475487424 /nfs/dbraw/zinc/48/74/24/475487424.db2.gz VHFHOIQWMNTLKX-GOSISDBHSA-N 1 3 333.476 2.962 20 0 EFADHO C[C@H](CCNC(=O)N1CC[C@@H](N2CCCCC2)C1)[NH+]1CCCCC1 ZINC000345834707 475492275 /nfs/dbraw/zinc/49/22/75/475492275.db2.gz KJKUDQGUAAAANV-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000338009703 475503816 /nfs/dbraw/zinc/50/38/16/475503816.db2.gz UPZLJWYAVZHOLJ-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000352667386 475509812 /nfs/dbraw/zinc/50/98/12/475509812.db2.gz ZZOMGUBQZWTDAP-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352677642 475520923 /nfs/dbraw/zinc/52/09/23/475520923.db2.gz OIGPEUATYGGYRH-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000352677642 475520933 /nfs/dbraw/zinc/52/09/33/475520933.db2.gz OIGPEUATYGGYRH-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041768 475525919 /nfs/dbraw/zinc/52/59/19/475525919.db2.gz XPWGQCHMNJCHMU-WAPOTWQKSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@H](CN1CCC[C@@H]1[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342041768 475525925 /nfs/dbraw/zinc/52/59/25/475525925.db2.gz XPWGQCHMNJCHMU-WAPOTWQKSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342041768 475525932 /nfs/dbraw/zinc/52/59/32/475525932.db2.gz XPWGQCHMNJCHMU-WAPOTWQKSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H](CN1CCC[C@@H]1[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342041768 475525940 /nfs/dbraw/zinc/52/59/40/475525940.db2.gz XPWGQCHMNJCHMU-WAPOTWQKSA-N 1 3 336.520 2.909 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342043311 475527040 /nfs/dbraw/zinc/52/70/40/475527040.db2.gz GYOABHSRCQILHA-OXQOHEQNSA-N 1 3 325.456 2.856 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342043295 475527261 /nfs/dbraw/zinc/52/72/61/475527261.db2.gz GYOABHSRCQILHA-JXFKEZNVSA-N 1 3 325.456 2.856 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc2c(c1)COC2 ZINC000361541338 475532079 /nfs/dbraw/zinc/53/20/79/475532079.db2.gz OHOJZLWGXOQGPC-HZPDHXFCSA-N 1 3 330.472 2.868 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000348259109 475534088 /nfs/dbraw/zinc/53/40/88/475534088.db2.gz ZGUMGRIFDYIVPK-OAHLLOKOSA-N 1 3 349.441 2.782 20 0 EFADHO COc1ccc(CN(CC[C@H]2CCC[N@@H+]2C)[C@@H](CO)C(C)C)cc1 ZINC000352700855 475544705 /nfs/dbraw/zinc/54/47/05/475544705.db2.gz YEZUJFHLLOFVRH-QUCCMNQESA-N 1 3 334.504 2.998 20 0 EFADHO COc1ccc(CN(CC[C@H]2CCC[N@H+]2C)[C@@H](CO)C(C)C)cc1 ZINC000352700855 475544713 /nfs/dbraw/zinc/54/47/13/475544713.db2.gz YEZUJFHLLOFVRH-QUCCMNQESA-N 1 3 334.504 2.998 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)[NH+](CC)CC ZINC000345982987 475549153 /nfs/dbraw/zinc/54/91/53/475549153.db2.gz WTMZDJXEYSCCRQ-RBUKOAKNSA-N 1 3 331.504 2.888 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000348274650 475551254 /nfs/dbraw/zinc/55/12/54/475551254.db2.gz BLPGUKBZVAJUAB-KKUMJFAQSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000348274650 475551259 /nfs/dbraw/zinc/55/12/59/475551259.db2.gz BLPGUKBZVAJUAB-KKUMJFAQSA-N 1 3 347.425 2.536 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]21 ZINC000342080660 475553538 /nfs/dbraw/zinc/55/35/38/475553538.db2.gz GUIZONOSFOGDNZ-VNQPRFMTSA-N 1 3 346.862 2.992 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000358278048 475555391 /nfs/dbraw/zinc/55/53/91/475555391.db2.gz QUZFPUDVFSFIEI-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC000338063523 475556639 /nfs/dbraw/zinc/55/66/39/475556639.db2.gz BLVNPNKTMBDIDN-DWRORGKVSA-N 1 3 331.504 2.975 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)N(C)C)cc1 ZINC000338063525 475557056 /nfs/dbraw/zinc/55/70/56/475557056.db2.gz BLVNPNKTMBDIDN-VXNCWWDNSA-N 1 3 331.504 2.975 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000338078834 475570829 /nfs/dbraw/zinc/57/08/29/475570829.db2.gz SOFJBQKKLOKJAG-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000338078834 475570833 /nfs/dbraw/zinc/57/08/33/475570833.db2.gz SOFJBQKKLOKJAG-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000358299848 475572680 /nfs/dbraw/zinc/57/26/80/475572680.db2.gz ULJXGKKMMMVYLN-QGZVFWFLSA-N 1 3 348.491 2.623 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000358299848 475572684 /nfs/dbraw/zinc/57/26/84/475572684.db2.gz ULJXGKKMMMVYLN-QGZVFWFLSA-N 1 3 348.491 2.623 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC2)C1 ZINC000358307393 475578389 /nfs/dbraw/zinc/57/83/89/475578389.db2.gz QCHQHBBYXRBFKK-LMCOJAPRSA-N 1 3 336.520 2.957 20 0 EFADHO CC(C)(C)OC(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348319413 475588819 /nfs/dbraw/zinc/58/88/19/475588819.db2.gz MIJOHETXXFFSFN-HDICACEKSA-N 1 3 330.472 2.782 20 0 EFADHO CC(C)(C)OC(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000348319413 475588824 /nfs/dbraw/zinc/58/88/24/475588824.db2.gz MIJOHETXXFFSFN-HDICACEKSA-N 1 3 330.472 2.782 20 0 EFADHO CCN1CCN(CCC[NH2+]C/C(C)=C/c2ccccc2COC)CC1 ZINC000352754860 475592696 /nfs/dbraw/zinc/59/26/96/475592696.db2.gz KLLVMCFDQPBWPI-KNTRCKAVSA-N 1 3 345.531 2.854 20 0 EFADHO Cc1cccc(N2CCC([NH2+]Cc3ncc(CN(C)C)s3)CC2)n1 ZINC000352758463 475595826 /nfs/dbraw/zinc/59/58/26/475595826.db2.gz YGYWJYHDXXUBDR-UHFFFAOYSA-N 1 3 345.516 2.667 20 0 EFADHO C[C@@H]1CN(CCCOc2ccccc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000355028975 475607381 /nfs/dbraw/zinc/60/73/81/475607381.db2.gz IGNZNXPTXDVXDD-GOSISDBHSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@@H]1CN(CCCOc2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000355028975 475607387 /nfs/dbraw/zinc/60/73/87/475607387.db2.gz IGNZNXPTXDVXDD-GOSISDBHSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@@H]1CN(CCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355028975 475607395 /nfs/dbraw/zinc/60/73/95/475607395.db2.gz IGNZNXPTXDVXDD-GOSISDBHSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000358356821 475614980 /nfs/dbraw/zinc/61/49/80/475614980.db2.gz UZMOESPVQQKJSB-OXJNMPFZSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000358356821 475614989 /nfs/dbraw/zinc/61/49/89/475614989.db2.gz UZMOESPVQQKJSB-OXJNMPFZSA-N 1 3 332.488 2.812 20 0 EFADHO CC[C@@H]1CN(CC[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000348359384 475617053 /nfs/dbraw/zinc/61/70/53/475617053.db2.gz SSMNTSTVJZTCRT-SESVDKBCSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000348359384 475617059 /nfs/dbraw/zinc/61/70/59/475617059.db2.gz SSMNTSTVJZTCRT-SESVDKBCSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]1CN(CCN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000348359384 475617064 /nfs/dbraw/zinc/61/70/64/475617064.db2.gz SSMNTSTVJZTCRT-SESVDKBCSA-N 1 3 345.531 2.597 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000358365751 475621784 /nfs/dbraw/zinc/62/17/84/475621784.db2.gz HSPQQCDOIKUKFU-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000348373764 475626388 /nfs/dbraw/zinc/62/63/88/475626388.db2.gz JADJFBZADBQWNM-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCCN1CC ZINC000348373764 475626398 /nfs/dbraw/zinc/62/63/98/475626398.db2.gz JADJFBZADBQWNM-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339947696 475633863 /nfs/dbraw/zinc/63/38/63/475633863.db2.gz RFAVACCVCYPERP-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CCNC(=O)NCCN1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000348396159 475637780 /nfs/dbraw/zinc/63/77/80/475637780.db2.gz FEQGBAGQBVKVCN-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H](CCNC(=O)NCCN1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000348396159 475637789 /nfs/dbraw/zinc/63/77/89/475637789.db2.gz FEQGBAGQBVKVCN-SFHVURJKSA-N 1 3 346.519 2.682 20 0 EFADHO Cc1ccc([C@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C2CCCC2)o1 ZINC000342802171 475642566 /nfs/dbraw/zinc/64/25/66/475642566.db2.gz ITBQAEJLYAAYFO-IEBWSBKVSA-N 1 3 347.503 2.996 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405245 475644905 /nfs/dbraw/zinc/64/49/05/475644905.db2.gz GOFUWTSQRKUAAJ-IAGOWNOFSA-N 1 3 348.487 2.999 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000348405245 475644911 /nfs/dbraw/zinc/64/49/11/475644911.db2.gz GOFUWTSQRKUAAJ-IAGOWNOFSA-N 1 3 348.487 2.999 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000346548335 475648988 /nfs/dbraw/zinc/64/89/88/475648988.db2.gz AUTGBKOMINWLFZ-WMZOPIPTSA-N 1 3 344.503 2.869 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000332498059 475653605 /nfs/dbraw/zinc/65/36/05/475653605.db2.gz FMRRWNQERZUSKE-UHFFFAOYSA-N 1 3 330.476 2.936 20 0 EFADHO Brc1cnn(CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000355110109 475673660 /nfs/dbraw/zinc/67/36/60/475673660.db2.gz GCQQUIDYNNIMOH-LSDHHAIUSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000355110109 475673667 /nfs/dbraw/zinc/67/36/67/475673667.db2.gz GCQQUIDYNNIMOH-LSDHHAIUSA-N 1 3 341.297 2.642 20 0 EFADHO Brc1cnn(CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)c1 ZINC000355110109 475673674 /nfs/dbraw/zinc/67/36/74/475673674.db2.gz GCQQUIDYNNIMOH-LSDHHAIUSA-N 1 3 341.297 2.642 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000361717510 475692450 /nfs/dbraw/zinc/69/24/50/475692450.db2.gz FIRUJYYNQKHKSW-HOCLYGCPSA-N 1 3 335.517 2.909 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC[NH+]1CCCC1 ZINC000338231280 475693809 /nfs/dbraw/zinc/69/38/09/475693809.db2.gz YBLNTLVYOJLQLL-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO O[C@H](CCc1ccccc1)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000297303104 475698422 /nfs/dbraw/zinc/69/84/22/475698422.db2.gz BFZQZFUZHOSHKX-HXUWFJFHSA-N 1 3 325.456 2.634 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)c1ccccc1 ZINC000353130220 475704294 /nfs/dbraw/zinc/70/42/94/475704294.db2.gz OEOYRUVZKZNLRS-GUDVDZBRSA-N 1 3 331.504 2.820 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)[C@H](C)C1 ZINC000346628249 475714544 /nfs/dbraw/zinc/71/45/44/475714544.db2.gz DVRLBXMDUAYIBF-GPMSIDNRSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361747828 475717250 /nfs/dbraw/zinc/71/72/50/475717250.db2.gz DUYGNZNOCXAKFF-CVEARBPZSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@@H](NCCC(=O)Nc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361747828 475717257 /nfs/dbraw/zinc/71/72/57/475717257.db2.gz DUYGNZNOCXAKFF-CVEARBPZSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)[C@H]1CCCN(C2CCC2)C1 ZINC000361747828 475717263 /nfs/dbraw/zinc/71/72/63/475717263.db2.gz DUYGNZNOCXAKFF-CVEARBPZSA-N 1 3 330.476 2.653 20 0 EFADHO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000343046022 475719081 /nfs/dbraw/zinc/71/90/81/475719081.db2.gz PKEBRULIMWNMLD-SFHVURJKSA-N 1 3 345.531 2.788 20 0 EFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(C1)CC[NH2+]CC2 ZINC000358501886 475729769 /nfs/dbraw/zinc/72/97/69/475729769.db2.gz UHWQOJOAWHAFNR-SIHNGCNOSA-N 1 3 345.531 2.535 20 0 EFADHO CCCN(CCN(C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000343063967 475734476 /nfs/dbraw/zinc/73/44/76/475734476.db2.gz WDOHOONOMRIIIR-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@@H]1C ZINC000361767015 475735015 /nfs/dbraw/zinc/73/50/15/475735015.db2.gz AURZYTXZFBAPIJ-BZSNNMDCSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC(C)CC2)C[C@@H]1C ZINC000361767015 475735021 /nfs/dbraw/zinc/73/50/21/475735021.db2.gz AURZYTXZFBAPIJ-BZSNNMDCSA-N 1 3 338.540 2.621 20 0 EFADHO CCN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000358507877 475735128 /nfs/dbraw/zinc/73/51/28/475735128.db2.gz LMBBLMNSZOVEAE-MRXNPFEDSA-N 1 3 347.478 2.811 20 0 EFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358518942 475741592 /nfs/dbraw/zinc/74/15/92/475741592.db2.gz RWSHDDATZHYLPA-MRXNPFEDSA-N 1 3 347.528 2.659 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521080 475742646 /nfs/dbraw/zinc/74/26/46/475742646.db2.gz WVCKDCBCUPZUNM-LSDHHAIUSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358521078 475743271 /nfs/dbraw/zinc/74/32/71/475743271.db2.gz WVCKDCBCUPZUNM-HUUCEWRRSA-N 1 3 349.906 2.981 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000338288848 475750576 /nfs/dbraw/zinc/75/05/76/475750576.db2.gz IMQATZFFHAPAAB-RCCFBDPRSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)N1CCC(C)CC1 ZINC000338288848 475750581 /nfs/dbraw/zinc/75/05/81/475750581.db2.gz IMQATZFFHAPAAB-RCCFBDPRSA-N 1 3 338.540 2.669 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000348552941 475754629 /nfs/dbraw/zinc/75/46/29/475754629.db2.gz WEKDIIYTFJYQAZ-VQTJNVASSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000348552941 475754634 /nfs/dbraw/zinc/75/46/34/475754634.db2.gz WEKDIIYTFJYQAZ-VQTJNVASSA-N 1 3 331.504 2.564 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000338297116 475759246 /nfs/dbraw/zinc/75/92/46/475759246.db2.gz RIYZKLNZWBCKQV-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000338297116 475759253 /nfs/dbraw/zinc/75/92/53/475759253.db2.gz RIYZKLNZWBCKQV-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000338301768 475761991 /nfs/dbraw/zinc/76/19/91/475761991.db2.gz HJEWHJLRBUPRHS-MSOLQXFVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000338301768 475761995 /nfs/dbraw/zinc/76/19/95/475761995.db2.gz HJEWHJLRBUPRHS-MSOLQXFVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000338301769 475762463 /nfs/dbraw/zinc/76/24/63/475762463.db2.gz HJEWHJLRBUPRHS-QZTJIDSGSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000338301769 475762468 /nfs/dbraw/zinc/76/24/68/475762468.db2.gz HJEWHJLRBUPRHS-QZTJIDSGSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353204731 475768199 /nfs/dbraw/zinc/76/81/99/475768199.db2.gz NOFRXYNVBXIZPT-QUCCMNQESA-N 1 3 329.488 2.629 20 0 EFADHO CCC[C@@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353204731 475768205 /nfs/dbraw/zinc/76/82/05/475768205.db2.gz NOFRXYNVBXIZPT-QUCCMNQESA-N 1 3 329.488 2.629 20 0 EFADHO CN(CCNC(=O)NCC(C)(C)C[NH+]1CCCC1)Cc1ccccc1 ZINC000358580202 475784608 /nfs/dbraw/zinc/78/46/08/475784608.db2.gz LLQSCOACAHCBDU-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@H]3CCC34CCCC4)CC2)ccn1 ZINC000353236752 475793594 /nfs/dbraw/zinc/79/35/94/475793594.db2.gz RKOORCGCGKBRHB-IBGZPJMESA-N 1 3 328.504 2.906 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)Cc1ccccc1 ZINC000348665350 475806830 /nfs/dbraw/zinc/80/68/30/475806830.db2.gz ZFAGBQNUCLKVOH-OALUTQOASA-N 1 3 333.520 2.642 20 0 EFADHO CCOC(=O)[C@](C)(CNC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297564236 475809233 /nfs/dbraw/zinc/80/92/33/475809233.db2.gz BIGGAICKGTWTKB-HXUWFJFHSA-N 1 3 330.472 2.724 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340179829 475829385 /nfs/dbraw/zinc/82/93/85/475829385.db2.gz FLXDKXFFFXMFTO-NJDAHSKKSA-N 1 3 345.531 2.768 20 0 EFADHO CC(C)CN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340179829 475829387 /nfs/dbraw/zinc/82/93/87/475829387.db2.gz FLXDKXFFFXMFTO-NJDAHSKKSA-N 1 3 345.531 2.768 20 0 EFADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000348711139 475829732 /nfs/dbraw/zinc/82/97/32/475829732.db2.gz FOTLLDAOIQYSSE-IBGZPJMESA-N 1 3 331.504 2.828 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000361876306 475830001 /nfs/dbraw/zinc/83/00/01/475830001.db2.gz DUBGRYMJEHWMAD-INIZCTEOSA-N 1 3 325.456 2.856 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000333088468 475835262 /nfs/dbraw/zinc/83/52/62/475835262.db2.gz CBKJJBAEQAMTPG-GBESFXJTSA-N 1 3 343.519 2.573 20 0 EFADHO Cc1cc(N2CCC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc(C)n1 ZINC000333088895 475835462 /nfs/dbraw/zinc/83/54/62/475835462.db2.gz CBKJJBAEQAMTPG-IPMKNSEASA-N 1 3 343.519 2.573 20 0 EFADHO COc1cc(CNCc2ccc(C[NH+](C)C)cc2)cc(OC)c1O ZINC000340193026 475844542 /nfs/dbraw/zinc/84/45/42/475844542.db2.gz VXXYEIXZCGIDES-UHFFFAOYSA-N 1 3 330.428 2.761 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](C)CN(C)C)CCCC1)c1ccccc1 ZINC000353295804 475846171 /nfs/dbraw/zinc/84/61/71/475846171.db2.gz OIDFRITXKWBWEZ-DLBZAZTESA-N 1 3 346.519 2.899 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H](C)C1 ZINC000346793574 475863724 /nfs/dbraw/zinc/86/37/24/475863724.db2.gz LRFIKMDYEKPNQI-LCLWPZTBSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H](C)C1 ZINC000346793568 475864652 /nfs/dbraw/zinc/86/46/52/475864652.db2.gz LRFIKMDYEKPNQI-IZBJGVDFSA-N 1 3 345.531 2.690 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781426 475865683 /nfs/dbraw/zinc/86/56/83/475865683.db2.gz LVYKQXUONBRHHP-RBUKOAKNSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(CC)CC ZINC000348781426 475865688 /nfs/dbraw/zinc/86/56/88/475865688.db2.gz LVYKQXUONBRHHP-RBUKOAKNSA-N 1 3 331.504 2.745 20 0 EFADHO COCCCN1CCC([NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000340222847 475866402 /nfs/dbraw/zinc/86/64/02/475866402.db2.gz YPNQUAHPLTYULZ-RTWAWAEBSA-N 1 3 345.531 2.912 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000333208001 475870628 /nfs/dbraw/zinc/87/06/28/475870628.db2.gz ZDXHQFBBXASBPA-IEBWSBKVSA-N 1 3 341.455 2.659 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CCOCC1 ZINC000340243449 475884508 /nfs/dbraw/zinc/88/45/08/475884508.db2.gz PQOABIBWVKDPJB-RTBURBONSA-N 1 3 331.504 2.522 20 0 EFADHO CCOc1cccc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000349077924 475902894 /nfs/dbraw/zinc/90/28/94/475902894.db2.gz QSWNIHNVHUVMRZ-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1cccc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000349077924 475902900 /nfs/dbraw/zinc/90/29/00/475902900.db2.gz QSWNIHNVHUVMRZ-LJQANCHMSA-N 1 3 333.520 2.933 20 0 EFADHO C[C@@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCNC1 ZINC000333330637 475906180 /nfs/dbraw/zinc/90/61/80/475906180.db2.gz WDPWPRBOXCOWGT-KHPNHKCMSA-N 1 3 327.472 2.798 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cscn3)CC2)C[C@@H](C)O1 ZINC000340276158 475909431 /nfs/dbraw/zinc/90/94/31/475909431.db2.gz HUEIEJVRWZRNFJ-HZPDHXFCSA-N 1 3 337.533 2.897 20 0 EFADHO C[N@@H+]1CC[C@@H](NCc2ccc(OCCO)cc2)C[C@@H]1c1ccccc1 ZINC000340283916 475915100 /nfs/dbraw/zinc/91/51/00/475915100.db2.gz CQDLXUMSTAAVDB-TZIWHRDSSA-N 1 3 340.467 2.983 20 0 EFADHO C[N@H+]1CC[C@@H](NCc2ccc(OCCO)cc2)C[C@@H]1c1ccccc1 ZINC000340283916 475915106 /nfs/dbraw/zinc/91/51/06/475915106.db2.gz CQDLXUMSTAAVDB-TZIWHRDSSA-N 1 3 340.467 2.983 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468504 475934351 /nfs/dbraw/zinc/93/43/51/475934351.db2.gz XFLFDVJCNOKHBX-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468504 475934356 /nfs/dbraw/zinc/93/43/56/475934356.db2.gz XFLFDVJCNOKHBX-QZTJIDSGSA-N 1 3 346.519 2.538 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000353403436 475940939 /nfs/dbraw/zinc/94/09/39/475940939.db2.gz KSNXVEVGJXFENW-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353403436 475940947 /nfs/dbraw/zinc/94/09/47/475940947.db2.gz KSNXVEVGJXFENW-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353403436 475940956 /nfs/dbraw/zinc/94/09/56/475940956.db2.gz KSNXVEVGJXFENW-PCCBWWKXSA-N 1 3 346.515 2.930 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000333459639 475943920 /nfs/dbraw/zinc/94/39/20/475943920.db2.gz GEOTVMDQRIJXAB-QFBILLFUSA-N 1 3 342.487 2.934 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000333459639 475943928 /nfs/dbraw/zinc/94/39/28/475943928.db2.gz GEOTVMDQRIJXAB-QFBILLFUSA-N 1 3 342.487 2.934 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358819575 475964263 /nfs/dbraw/zinc/96/42/63/475964263.db2.gz FOOAYNMTORDLJJ-PKOBYXMFSA-N 1 3 333.545 2.678 20 0 EFADHO C[C@H]1C[C@H](NCCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000358819575 475964270 /nfs/dbraw/zinc/96/42/70/475964270.db2.gz FOOAYNMTORDLJJ-PKOBYXMFSA-N 1 3 333.545 2.678 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000355478759 475972457 /nfs/dbraw/zinc/97/24/57/475972457.db2.gz WYCRGIYFAPASHV-KRWDZBQOSA-N 1 3 344.503 2.518 20 0 EFADHO Cc1ccc([C@@H]([NH2+]CCCN2CCC[C@@H](C(N)=O)C2)C2CCC2)o1 ZINC000349456116 475973582 /nfs/dbraw/zinc/97/35/82/475973582.db2.gz RMQFZFLYRPWNEV-AEFFLSMTSA-N 1 3 333.476 2.606 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353446501 475975010 /nfs/dbraw/zinc/97/50/10/475975010.db2.gz JYDXJJJNHFGINH-DBVUQKKJSA-N 1 3 343.515 2.962 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071096 475976192 /nfs/dbraw/zinc/97/61/92/475976192.db2.gz VTKCUEFWYUYQJQ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCC1 ZINC000362071096 475976201 /nfs/dbraw/zinc/97/62/01/475976201.db2.gz VTKCUEFWYUYQJQ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000353458913 475987458 /nfs/dbraw/zinc/98/74/58/475987458.db2.gz KTRCAPRVOSKTJH-QZTJIDSGSA-N 1 3 349.544 2.710 20 0 EFADHO C[C@@](O)(CC[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000298124371 475990795 /nfs/dbraw/zinc/99/07/95/475990795.db2.gz PNDBCNACAMXDAX-HXUWFJFHSA-N 1 3 325.456 2.938 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000353464757 475990915 /nfs/dbraw/zinc/99/09/15/475990915.db2.gz YSZDWTFXRAQMBW-RLLQIKCJSA-N 1 3 343.515 2.744 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000358858670 475992959 /nfs/dbraw/zinc/99/29/59/475992959.db2.gz PAYZZXPZHYIKSO-LJQANCHMSA-N 1 3 343.446 2.636 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](CN)c2ccc(F)cc2)c1 ZINC000358858670 475992962 /nfs/dbraw/zinc/99/29/62/475992962.db2.gz PAYZZXPZHYIKSO-LJQANCHMSA-N 1 3 343.446 2.636 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358861344 475994137 /nfs/dbraw/zinc/99/41/37/475994137.db2.gz GBWXOXIBOIMRGI-IBGZPJMESA-N 1 3 349.494 2.839 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000358861344 475994145 /nfs/dbraw/zinc/99/41/45/475994145.db2.gz GBWXOXIBOIMRGI-IBGZPJMESA-N 1 3 349.494 2.839 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467076 475995096 /nfs/dbraw/zinc/99/50/96/475995096.db2.gz KRCYLCDTVNZBHW-IUODEOHRSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467076 475995104 /nfs/dbraw/zinc/99/51/04/475995104.db2.gz KRCYLCDTVNZBHW-IUODEOHRSA-N 1 3 343.393 2.567 20 0 EFADHO NC[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000358865543 475997475 /nfs/dbraw/zinc/99/74/75/475997475.db2.gz MUBUKJAZIDPRAA-SFHVURJKSA-N 1 3 335.467 2.640 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340382725 475997473 /nfs/dbraw/zinc/99/74/73/475997473.db2.gz NYTBQEOHRXFDNW-INDMIFKZSA-N 1 3 334.504 2.570 20 0 EFADHO C[N@H+]1CC[C@H](N[C@H](CO)C[C@@H](O)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340382725 475997481 /nfs/dbraw/zinc/99/74/81/475997481.db2.gz NYTBQEOHRXFDNW-INDMIFKZSA-N 1 3 334.504 2.570 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000353477494 476002976 /nfs/dbraw/zinc/00/29/76/476002976.db2.gz CAQZBVWXUQNPCR-JKQORVJESA-N 1 3 335.517 2.635 20 0 EFADHO c1ccc(CN2C[C@H]3CC[C@@H]([NH2+]CCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522035 476005274 /nfs/dbraw/zinc/00/52/74/476005274.db2.gz AFESZLYDTIXBGY-NJDAHSKKSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@H+]2C[C@H]3CC[C@@H](NCCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522035 476005278 /nfs/dbraw/zinc/00/52/78/476005278.db2.gz AFESZLYDTIXBGY-NJDAHSKKSA-N 1 3 325.500 2.749 20 0 EFADHO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](NCCN4CC=CCC4)[C@@H]3C2)cc1 ZINC000355522035 476005282 /nfs/dbraw/zinc/00/52/82/476005282.db2.gz AFESZLYDTIXBGY-NJDAHSKKSA-N 1 3 325.500 2.749 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702424 476005733 /nfs/dbraw/zinc/00/57/33/476005733.db2.gz RBFGLJSZKCQJLL-SJLPKXTDSA-N 1 3 329.423 2.590 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+]([C@@H]3CCCc4ccc(F)cc43)C2)nn1 ZINC000333702424 476005741 /nfs/dbraw/zinc/00/57/41/476005741.db2.gz RBFGLJSZKCQJLL-SJLPKXTDSA-N 1 3 329.423 2.590 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000298194476 476014673 /nfs/dbraw/zinc/01/46/73/476014673.db2.gz CBXAROTWYMDWID-HZPDHXFCSA-N 1 3 341.293 2.947 20 0 EFADHO C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)N(C)Cc1ccccc1 ZINC000358889490 476015993 /nfs/dbraw/zinc/01/59/93/476015993.db2.gz UZEHDOFJYCMTMT-HNAYVOBHSA-N 1 3 343.446 2.505 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](Cc3cccc4c3NCC4)CC2)CC1 ZINC000346997431 476018665 /nfs/dbraw/zinc/01/86/65/476018665.db2.gz WMBCENCTJITHSV-UHFFFAOYSA-N 1 3 342.531 2.645 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794867 476030459 /nfs/dbraw/zinc/03/04/59/476030459.db2.gz GULACJFYIFEGHR-CWAFYDINSA-N 1 3 348.531 2.704 20 0 EFADHO CCO[C@H]1C[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794867 476030462 /nfs/dbraw/zinc/03/04/62/476030462.db2.gz GULACJFYIFEGHR-CWAFYDINSA-N 1 3 348.531 2.704 20 0 EFADHO c1ccc(NCCCC[NH2+]C2CCN(c3ccncc3)CC2)nc1 ZINC000298253958 476034136 /nfs/dbraw/zinc/03/41/36/476034136.db2.gz DUHOWSMECSMWEK-UHFFFAOYSA-N 1 3 325.460 2.927 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000353528727 476050010 /nfs/dbraw/zinc/05/00/10/476050010.db2.gz HNYHMDTXRPVXBH-UHFFFAOYSA-N 1 3 334.489 2.681 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000350129680 476061456 /nfs/dbraw/zinc/06/14/56/476061456.db2.gz UABBXZZEJDDPFO-YOEHRIQHSA-N 1 3 348.491 2.635 20 0 EFADHO Cc1nccnc1CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000340491452 476065051 /nfs/dbraw/zinc/06/50/51/476065051.db2.gz OQNNONXRAIEDSS-OAHLLOKOSA-N 1 3 328.460 2.619 20 0 EFADHO FC(F)(F)CN1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000298356574 476067573 /nfs/dbraw/zinc/06/75/73/476067573.db2.gz KAPADKBDBRXCBZ-UHFFFAOYSA-N 1 3 342.409 2.667 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)CC(C)C ZINC000340517068 476079346 /nfs/dbraw/zinc/07/93/46/476079346.db2.gz YFVICSNYPYVSRV-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@@H](C)CC(C)C ZINC000340517068 476079352 /nfs/dbraw/zinc/07/93/52/476079352.db2.gz YFVICSNYPYVSRV-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO OC[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000298399294 476080714 /nfs/dbraw/zinc/08/07/14/476080714.db2.gz LQLLJENXAQEOQL-KRWDZBQOSA-N 1 3 343.446 2.630 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCN1C ZINC000343663201 476098623 /nfs/dbraw/zinc/09/86/23/476098623.db2.gz XGKWQMGZRCCPKO-LPHOPBHVSA-N 1 3 344.503 2.564 20 0 EFADHO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000353606015 476117938 /nfs/dbraw/zinc/11/79/38/476117938.db2.gz CYWQKWHYZMOXPF-OKYOBFRVSA-N 1 3 336.483 2.767 20 0 EFADHO c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000353606015 476117941 /nfs/dbraw/zinc/11/79/41/476117941.db2.gz CYWQKWHYZMOXPF-OKYOBFRVSA-N 1 3 336.483 2.767 20 0 EFADHO CCc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336678876 476124657 /nfs/dbraw/zinc/12/46/57/476124657.db2.gz DENZRRLUSBDMGX-SJLPKXTDSA-N 1 3 326.488 2.983 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336795954 476131793 /nfs/dbraw/zinc/13/17/93/476131793.db2.gz OLDGBPLZRHLALS-WSTZPKSXSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336796901 476132448 /nfs/dbraw/zinc/13/24/48/476132448.db2.gz WYHAMHSFCJERQA-NBYUQASBSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336796901 476132457 /nfs/dbraw/zinc/13/24/57/476132457.db2.gz WYHAMHSFCJERQA-NBYUQASBSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343919537 476133866 /nfs/dbraw/zinc/13/38/66/476133866.db2.gz GCRXQCFXAKTQSQ-CDHQVMDDSA-N 1 3 331.479 2.771 20 0 EFADHO COCC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000353632425 476141039 /nfs/dbraw/zinc/14/10/39/476141039.db2.gz TVNIAHPRYNHWIB-MTQWCTHYSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353632425 476141047 /nfs/dbraw/zinc/14/10/47/476141047.db2.gz TVNIAHPRYNHWIB-MTQWCTHYSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353632425 476141053 /nfs/dbraw/zinc/14/10/53/476141053.db2.gz TVNIAHPRYNHWIB-MTQWCTHYSA-N 1 3 332.488 2.538 20 0 EFADHO COc1ccc(CN2CCC(OCCC[NH3+])CC2)cc1OC(F)F ZINC000336877740 476164875 /nfs/dbraw/zinc/16/48/75/476164875.db2.gz VAKAMNSLECTGMF-UHFFFAOYSA-N 1 3 344.402 2.626 20 0 EFADHO C[C@H](CCCC(F)(F)F)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000353668441 476173188 /nfs/dbraw/zinc/17/31/88/476173188.db2.gz GCESHLWFWSBWTJ-CQSZACIVSA-N 1 3 337.430 2.689 20 0 EFADHO CCC[C@@H](N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353667943 476173218 /nfs/dbraw/zinc/17/32/18/476173218.db2.gz LBVPLDRISZFTLD-QGZVFWFLSA-N 1 3 346.475 2.567 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338769544 476173366 /nfs/dbraw/zinc/17/33/66/476173366.db2.gz IPSAJQBAYCCJSK-APWZRJJASA-N 1 3 341.499 2.813 20 0 EFADHO C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CCOCC[NH3+])OCCO3 ZINC000357033962 476176203 /nfs/dbraw/zinc/17/62/03/476176203.db2.gz UKCHJDJUFCFJDG-OAHLLOKOSA-N 1 3 346.471 2.622 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000357036711 476178081 /nfs/dbraw/zinc/17/80/81/476178081.db2.gz JXVIMGSUTRHDAV-KSZLIROESA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000357036711 476178086 /nfs/dbraw/zinc/17/80/86/476178086.db2.gz JXVIMGSUTRHDAV-KSZLIROESA-N 1 3 331.504 2.886 20 0 EFADHO COCCN1CCC([NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)CC1 ZINC000338787765 476186261 /nfs/dbraw/zinc/18/62/61/476186261.db2.gz INDOYOGVVDPPHN-GOSISDBHSA-N 1 3 339.911 2.643 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357052670 476190633 /nfs/dbraw/zinc/19/06/33/476190633.db2.gz RIHZCONIJNGLMT-FUHWJXTLSA-N 1 3 331.504 2.934 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357070251 476204265 /nfs/dbraw/zinc/20/42/65/476204265.db2.gz GAUPIPFLOQWWOF-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357070254 476205363 /nfs/dbraw/zinc/20/53/63/476205363.db2.gz GAUPIPFLOQWWOF-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@@H]1CCC[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000340690216 476208708 /nfs/dbraw/zinc/20/87/08/476208708.db2.gz WIZHNNSZECWIHO-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@@H]1CCC[N@H+]1CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000340690216 476208714 /nfs/dbraw/zinc/20/87/14/476208714.db2.gz WIZHNNSZECWIHO-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357079009 476213447 /nfs/dbraw/zinc/21/34/47/476213447.db2.gz KXPRTSURQOEINL-PMACEKPBSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357080743 476214731 /nfs/dbraw/zinc/21/47/31/476214731.db2.gz MQQCZLXZWWLWJQ-QFBILLFUSA-N 1 3 329.488 2.528 20 0 EFADHO CC(C)Cc1ccc(C(=O)C2CCN(CCOCC[NH3+])CC2)cc1 ZINC000357080648 476215043 /nfs/dbraw/zinc/21/50/43/476215043.db2.gz MNTKIFQHQOWDOB-UHFFFAOYSA-N 1 3 332.488 2.755 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C2CC2)CC1 ZINC000338833915 476222395 /nfs/dbraw/zinc/22/23/95/476222395.db2.gz QOKSFEOBXGTNAX-HKUYNNGSSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000347277429 476224911 /nfs/dbraw/zinc/22/49/11/476224911.db2.gz SYTXSBJOPAXGFE-PXNSSMCTSA-N 1 3 339.483 2.626 20 0 EFADHO Cc1c(CN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cnn1C ZINC000350557900 476242891 /nfs/dbraw/zinc/24/28/91/476242891.db2.gz OSFZOHFVNUUBJX-QUCCMNQESA-N 1 3 326.488 2.901 20 0 EFADHO CC(C)CO[C@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000344316399 476244840 /nfs/dbraw/zinc/24/48/40/476244840.db2.gz ZQXNVAORBHGMAG-ROUUACIJSA-N 1 3 349.519 2.951 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000344315725 476245058 /nfs/dbraw/zinc/24/50/58/476245058.db2.gz MRVJDVUHWXKDKS-IAGOWNOFSA-N 1 3 344.503 2.558 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353752491 476247708 /nfs/dbraw/zinc/24/77/08/476247708.db2.gz GYDBMBUSZNASAZ-DKKFBQAASA-N 1 3 331.504 2.777 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353752491 476247716 /nfs/dbraw/zinc/24/77/16/476247716.db2.gz GYDBMBUSZNASAZ-DKKFBQAASA-N 1 3 331.504 2.777 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000303989529 476257106 /nfs/dbraw/zinc/25/71/06/476257106.db2.gz KQVSAKDHCMBBFF-FPOVZHCZSA-N 1 3 346.515 2.858 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359700610 476259299 /nfs/dbraw/zinc/25/92/99/476259299.db2.gz JDKDNNIXFLAKCZ-WOJBJXKFSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359700610 476259304 /nfs/dbraw/zinc/25/93/04/476259304.db2.gz JDKDNNIXFLAKCZ-WOJBJXKFSA-N 1 3 345.531 2.991 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359717381 476260560 /nfs/dbraw/zinc/26/05/60/476260560.db2.gz UYIUYUCWOBGWNS-MOPGFXCFSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359717381 476260566 /nfs/dbraw/zinc/26/05/66/476260566.db2.gz UYIUYUCWOBGWNS-MOPGFXCFSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246513 476271604 /nfs/dbraw/zinc/27/16/04/476271604.db2.gz OIZRDFMTWOOLNQ-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246513 476271607 /nfs/dbraw/zinc/27/16/07/476271607.db2.gz OIZRDFMTWOOLNQ-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246513 476271615 /nfs/dbraw/zinc/27/16/15/476271615.db2.gz OIZRDFMTWOOLNQ-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246513 476271617 /nfs/dbraw/zinc/27/16/17/476271617.db2.gz OIZRDFMTWOOLNQ-FSGKZVOOSA-N 1 3 340.552 2.873 20 0 EFADHO CCc1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000357220312 476294393 /nfs/dbraw/zinc/29/43/93/476294393.db2.gz OYOJHKYMZAJOET-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000357220312 476294394 /nfs/dbraw/zinc/29/43/94/476294394.db2.gz OYOJHKYMZAJOET-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[NH+](CC)CC ZINC000360297410 476298023 /nfs/dbraw/zinc/29/80/23/476298023.db2.gz WTFPFPQEJYFADF-QXAKKESOSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(C(=O)OC)CCC1 ZINC000353843483 476298294 /nfs/dbraw/zinc/29/82/94/476298294.db2.gz PCODHPLVKLVJHY-IXDOHACOSA-N 1 3 340.508 2.587 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000360549757 476306672 /nfs/dbraw/zinc/30/66/72/476306672.db2.gz LKVOELLEARJKOO-GMNCBBECSA-N 1 3 348.535 2.519 20 0 EFADHO CC1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000360549757 476306677 /nfs/dbraw/zinc/30/66/77/476306677.db2.gz LKVOELLEARJKOO-GMNCBBECSA-N 1 3 348.535 2.519 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000357268504 476309773 /nfs/dbraw/zinc/30/97/73/476309773.db2.gz FCFUINJFQIBZSD-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000357268504 476309776 /nfs/dbraw/zinc/30/97/76/476309776.db2.gz FCFUINJFQIBZSD-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C)CC[C@H]1C)[NH+](C)C ZINC000357281825 476314553 /nfs/dbraw/zinc/31/45/53/476314553.db2.gz KXIBGGFBNMNBHX-AOIWGVFYSA-N 1 3 346.519 2.722 20 0 EFADHO CCN(Cc1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000357297221 476320525 /nfs/dbraw/zinc/32/05/25/476320525.db2.gz AYVZOFQKRFRZNE-SPYBWZPUSA-N 1 3 329.488 2.787 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000357300580 476321979 /nfs/dbraw/zinc/32/19/79/476321979.db2.gz AHTLETXMFPRRHR-IBGZPJMESA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000353915063 476322935 /nfs/dbraw/zinc/32/29/35/476322935.db2.gz ZDIQGFWSKNLGSO-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000353915063 476322938 /nfs/dbraw/zinc/32/29/38/476322938.db2.gz ZDIQGFWSKNLGSO-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000353915062 476323134 /nfs/dbraw/zinc/32/31/34/476323134.db2.gz ZDIQGFWSKNLGSO-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(C)C ZINC000353915062 476323140 /nfs/dbraw/zinc/32/31/40/476323140.db2.gz ZDIQGFWSKNLGSO-GOSISDBHSA-N 1 3 349.494 2.884 20 0 EFADHO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353945108 476332329 /nfs/dbraw/zinc/33/23/29/476332329.db2.gz NCTHGJAIBUSQLQ-SFTDATJTSA-N 1 3 345.531 2.729 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC000360677769 476338828 /nfs/dbraw/zinc/33/88/28/476338828.db2.gz AUHZGXPTMVVKAS-AABGKKOBSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC000360677769 476338831 /nfs/dbraw/zinc/33/88/31/476338831.db2.gz AUHZGXPTMVVKAS-AABGKKOBSA-N 1 3 343.515 2.838 20 0 EFADHO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc2c(c1)CNC2 ZINC000357347597 476340528 /nfs/dbraw/zinc/34/05/28/476340528.db2.gz CSBIUCXLCMUAEI-UHFFFAOYSA-N 1 3 341.430 2.633 20 0 EFADHO c1ccc(CN2CC[C@H]3C[N@@H+](CCN4CCCCC4)C[C@@H]3C2)cc1 ZINC000377337452 476357187 /nfs/dbraw/zinc/35/71/87/476357187.db2.gz MZYRTZQHTWYDAQ-SFTDATJTSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(CN2CC[C@H]3C[N@H+](CCN4CCCCC4)C[C@@H]3C2)cc1 ZINC000377337452 476357194 /nfs/dbraw/zinc/35/71/94/476357194.db2.gz MZYRTZQHTWYDAQ-SFTDATJTSA-N 1 3 327.516 2.926 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)C[C@@H]1CCOc2ccccc21 ZINC000368589845 476358271 /nfs/dbraw/zinc/35/82/71/476358271.db2.gz AVSMQCZRBOCCMS-KRWDZBQOSA-N 1 3 331.504 2.511 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C[C@@H]1CCOc2ccccc21 ZINC000368589845 476358279 /nfs/dbraw/zinc/35/82/79/476358279.db2.gz AVSMQCZRBOCCMS-KRWDZBQOSA-N 1 3 331.504 2.511 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375651 476374132 /nfs/dbraw/zinc/37/41/32/476374132.db2.gz JAMJZMICODHSNT-RBUKOAKNSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375651 476374138 /nfs/dbraw/zinc/37/41/38/476374138.db2.gz JAMJZMICODHSNT-RBUKOAKNSA-N 1 3 327.472 2.639 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000357423920 476374045 /nfs/dbraw/zinc/37/40/45/476374045.db2.gz WCNJNCGFXIZERI-LPHOPBHVSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CN(Cc2coc3ccccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354037725 476382925 /nfs/dbraw/zinc/38/29/25/476382925.db2.gz JZPWSBADENNLAK-APWZRJJASA-N 1 3 327.472 2.891 20 0 EFADHO CN1CC=C(CNC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000360791401 476389791 /nfs/dbraw/zinc/38/97/91/476389791.db2.gz MZTZOSSCPFGAAK-UHFFFAOYSA-N 1 3 348.535 2.592 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC000354045520 476389951 /nfs/dbraw/zinc/38/99/51/476389951.db2.gz VEDWIYGGAABLRO-UHFFFAOYSA-N 1 3 347.503 2.968 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000354078579 476410775 /nfs/dbraw/zinc/41/07/75/476410775.db2.gz UVPMODRNMIENSA-KRWDZBQOSA-N 1 3 330.476 2.575 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802951 476416201 /nfs/dbraw/zinc/41/62/01/476416201.db2.gz QMGZFKRPHWYDQP-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802951 476416207 /nfs/dbraw/zinc/41/62/07/476416207.db2.gz QMGZFKRPHWYDQP-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000362802951 476416210 /nfs/dbraw/zinc/41/62/10/476416210.db2.gz QMGZFKRPHWYDQP-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCCC1 ZINC000360835890 476417774 /nfs/dbraw/zinc/41/77/74/476417774.db2.gz LNDRFRLFWTVCLE-HIFRSBDPSA-N 1 3 330.394 2.683 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000354100619 476426645 /nfs/dbraw/zinc/42/66/45/476426645.db2.gz ODRAISJKLJFFMC-AZUAARDMSA-N 1 3 343.515 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000354100619 476426648 /nfs/dbraw/zinc/42/66/48/476426648.db2.gz ODRAISJKLJFFMC-AZUAARDMSA-N 1 3 343.515 2.687 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000354107516 476431761 /nfs/dbraw/zinc/43/17/61/476431761.db2.gz QOECVSWFWXQVHE-HXUWFJFHSA-N 1 3 342.487 2.805 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000357529137 476434159 /nfs/dbraw/zinc/43/41/59/476434159.db2.gz CHOPKJFWGNGBMT-NCOADZHNSA-N 1 3 348.491 2.587 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000357529137 476434167 /nfs/dbraw/zinc/43/41/67/476434167.db2.gz CHOPKJFWGNGBMT-NCOADZHNSA-N 1 3 348.491 2.587 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000373871075 476435903 /nfs/dbraw/zinc/43/59/03/476435903.db2.gz YDQYOYDIHKEUJS-LJQANCHMSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000373871075 476435906 /nfs/dbraw/zinc/43/59/06/476435906.db2.gz YDQYOYDIHKEUJS-LJQANCHMSA-N 1 3 348.535 2.710 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000374158597 476457738 /nfs/dbraw/zinc/45/77/38/476457738.db2.gz CVPPUBXOPCDLGS-UYAOXDASSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000374158597 476457744 /nfs/dbraw/zinc/45/77/44/476457744.db2.gz CVPPUBXOPCDLGS-UYAOXDASSA-N 1 3 331.504 2.601 20 0 EFADHO Fc1ccc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000362922971 476483572 /nfs/dbraw/zinc/48/35/72/476483572.db2.gz GYMYYFCHKPWOIG-AWEZNQCLSA-N 1 3 331.435 2.898 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000351627294 476486133 /nfs/dbraw/zinc/48/61/33/476486133.db2.gz GCBLXZIRGCLYAJ-YESZJQIVSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000351815339 476500812 /nfs/dbraw/zinc/50/08/12/476500812.db2.gz SNRNUOWHWFBQGA-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H](CCNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000351815339 476500817 /nfs/dbraw/zinc/50/08/17/476500817.db2.gz SNRNUOWHWFBQGA-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000354204537 476501077 /nfs/dbraw/zinc/50/10/77/476501077.db2.gz FOELZEUITQYSRI-NVXWUHKLSA-N 1 3 349.544 2.828 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCc3sccc3C2)C[C@H]1C ZINC000354204537 476501082 /nfs/dbraw/zinc/50/10/82/476501082.db2.gz FOELZEUITQYSRI-NVXWUHKLSA-N 1 3 349.544 2.828 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000357642329 476507574 /nfs/dbraw/zinc/50/75/74/476507574.db2.gz JWROKWNTENHRQB-CQSZACIVSA-N 1 3 348.491 2.660 20 0 EFADHO COC(=O)CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000360974938 476517564 /nfs/dbraw/zinc/51/75/64/476517564.db2.gz LJUWAMAHJVCWJB-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000360974938 476517576 /nfs/dbraw/zinc/51/75/76/476517576.db2.gz LJUWAMAHJVCWJB-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000354230947 476524162 /nfs/dbraw/zinc/52/41/62/476524162.db2.gz PNUHCDQZXSKUED-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000354233383 476526816 /nfs/dbraw/zinc/52/68/16/476526816.db2.gz HQEMOOOZVLMTNF-JZXOWHBKSA-N 1 3 348.535 2.953 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000377757928 476564432 /nfs/dbraw/zinc/56/44/32/476564432.db2.gz GUFXVFXUFBOQEY-DLBZAZTESA-N 1 3 337.508 2.661 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000377757928 476564435 /nfs/dbraw/zinc/56/44/35/476564435.db2.gz GUFXVFXUFBOQEY-DLBZAZTESA-N 1 3 337.508 2.661 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000361080450 476586949 /nfs/dbraw/zinc/58/69/49/476586949.db2.gz ROFAXQHXKBYFSL-MRXNPFEDSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357779206 476597025 /nfs/dbraw/zinc/59/70/25/476597025.db2.gz JQJNPBDARMYGHY-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357779206 476597029 /nfs/dbraw/zinc/59/70/29/476597029.db2.gz JQJNPBDARMYGHY-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352341585 476649063 /nfs/dbraw/zinc/64/90/63/476649063.db2.gz YXCPWFSFMIRNEW-MOPGFXCFSA-N 1 3 346.519 2.771 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352341585 476649069 /nfs/dbraw/zinc/64/90/69/476649069.db2.gz YXCPWFSFMIRNEW-MOPGFXCFSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1)N(C)C ZINC000357873754 476663998 /nfs/dbraw/zinc/66/39/98/476663998.db2.gz QLYKPSDSJMXMDS-UZLBHIALSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1)N(C)C ZINC000357873752 476664754 /nfs/dbraw/zinc/66/47/54/476664754.db2.gz QLYKPSDSJMXMDS-OXQOHEQNSA-N 1 3 343.515 2.977 20 0 EFADHO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1ccncc1 ZINC000370192963 476691519 /nfs/dbraw/zinc/69/15/19/476691519.db2.gz UMKCLNLOYCTYIU-UHFFFAOYSA-N 1 3 330.520 2.710 20 0 EFADHO Cc1ccc([C@@H](NC(=O)CN2CCC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443059341 476708292 /nfs/dbraw/zinc/70/82/92/476708292.db2.gz MNHDHTQPOJCOQG-OXJNMPFZSA-N 1 3 329.488 2.623 20 0 EFADHO [NH3+]CC[C@H]1CCCN([C@H](C(=O)N2CCCCC2)c2ccccc2)C1 ZINC000443058308 476708332 /nfs/dbraw/zinc/70/83/32/476708332.db2.gz JYNRTNFZLUAKQN-MJGOQNOKSA-N 1 3 329.488 2.801 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@H]1[C@H](C)O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320087 476712932 /nfs/dbraw/zinc/71/29/32/476712932.db2.gz NKTOEUIBTMXTDU-JIWXIQHESA-N 1 3 340.552 2.585 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@H]1[C@H](C)O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320087 476712939 /nfs/dbraw/zinc/71/29/39/476712939.db2.gz NKTOEUIBTMXTDU-JIWXIQHESA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](CN1CC[C@H](C)C[C@@H]1[C@H](C)O)C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443320087 476712942 /nfs/dbraw/zinc/71/29/42/476712942.db2.gz NKTOEUIBTMXTDU-JIWXIQHESA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](CN1CC[C@H](C)C[C@@H]1[C@H](C)O)C[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443320087 476712949 /nfs/dbraw/zinc/71/29/49/476712949.db2.gz NKTOEUIBTMXTDU-JIWXIQHESA-N 1 3 340.552 2.585 20 0 EFADHO C(=C/C[N@@H+]1CCOCC2(CCC2)C1)\CN1CCOCC2(CCC2)C1 ZINC000375196454 476713166 /nfs/dbraw/zinc/71/31/66/476713166.db2.gz HSIYNUUURKZOFP-OWOJBTEDSA-N 1 3 334.504 2.548 20 0 EFADHO C(=C/C[N@H+]1CCOCC2(CCC2)C1)\CN1CCOCC2(CCC2)C1 ZINC000375196454 476713174 /nfs/dbraw/zinc/71/31/74/476713174.db2.gz HSIYNUUURKZOFP-OWOJBTEDSA-N 1 3 334.504 2.548 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000379674634 476731686 /nfs/dbraw/zinc/73/16/86/476731686.db2.gz UYGZYEAESIDLFF-FPAYPSAMSA-N 1 3 329.488 2.544 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422702638 476735897 /nfs/dbraw/zinc/73/58/97/476735897.db2.gz FMVOPWKGMMSEBI-YGWPLHOASA-N 1 3 329.488 2.784 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CCC[C@H]1C[NH3+])N1CCCCC1 ZINC000422709869 476736862 /nfs/dbraw/zinc/73/68/62/476736862.db2.gz LBGHINMLSXOIHR-WDSOQIARSA-N 1 3 331.504 2.939 20 0 EFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000365859688 476738097 /nfs/dbraw/zinc/73/80/97/476738097.db2.gz HWCSGKDMKWEETO-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO CN1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC1 ZINC000365859688 476738099 /nfs/dbraw/zinc/73/80/99/476738099.db2.gz HWCSGKDMKWEETO-FQEVSTJZSA-N 1 3 343.515 2.542 20 0 EFADHO COCCN(C)CC[C@H](N[C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000422713484 476738778 /nfs/dbraw/zinc/73/87/78/476738778.db2.gz JVNMKXCSYFFBPH-UFYCRDLUSA-N 1 3 333.520 2.946 20 0 EFADHO COc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC1CCCC1 ZINC000422710197 476739284 /nfs/dbraw/zinc/73/92/84/476739284.db2.gz LBQXDJVIZONYFX-ZTFGCOKTSA-N 1 3 348.487 2.859 20 0 EFADHO COCCN(C)CC[C@H](N[C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422713482 476739733 /nfs/dbraw/zinc/73/97/33/476739733.db2.gz JVNMKXCSYFFBPH-HSALFYBXSA-N 1 3 333.520 2.946 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381615032 476740595 /nfs/dbraw/zinc/74/05/95/476740595.db2.gz PZPONDHTRNHQRY-CABCVRRESA-N 1 3 348.491 2.942 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422719962 476742504 /nfs/dbraw/zinc/74/25/04/476742504.db2.gz RSLQMCIZDHAJGZ-QYRPDUKASA-N 1 3 327.516 2.944 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000382624267 476744837 /nfs/dbraw/zinc/74/48/37/476744837.db2.gz PNVBRXYIOHNYCY-QGZVFWFLSA-N 1 3 339.524 2.953 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2ccccc2OC(C)C)CC[NH2+]CC1 ZINC000422722514 476745904 /nfs/dbraw/zinc/74/59/04/476745904.db2.gz YFCJQHAPKBSNOJ-MRXNPFEDSA-N 1 3 348.487 2.885 20 0 EFADHO c1csc([C@H](CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422728185 476746765 /nfs/dbraw/zinc/74/67/65/476746765.db2.gz FLTRRDJLIIKSSB-TVFCKZIOSA-N 1 3 349.544 2.632 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728910 476749012 /nfs/dbraw/zinc/74/90/12/476749012.db2.gz JXPWPPZBIMSVGP-UAGQMJEPSA-N 1 3 341.421 2.997 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728910 476749016 /nfs/dbraw/zinc/74/90/16/476749016.db2.gz JXPWPPZBIMSVGP-UAGQMJEPSA-N 1 3 341.421 2.997 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728907 476749156 /nfs/dbraw/zinc/74/91/56/476749156.db2.gz JXPWPPZBIMSVGP-BHYGNILZSA-N 1 3 341.421 2.997 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422728907 476749163 /nfs/dbraw/zinc/74/91/63/476749163.db2.gz JXPWPPZBIMSVGP-BHYGNILZSA-N 1 3 341.421 2.997 20 0 EFADHO C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422729907 476749447 /nfs/dbraw/zinc/74/94/47/476749447.db2.gz LGTQFYWTWODGQT-KBRIMQKVSA-N 1 3 341.421 2.867 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000383568833 476751053 /nfs/dbraw/zinc/75/10/53/476751053.db2.gz JRGPPYCRXQPMQL-CEXWTWQISA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](CCCC[NH3+])NCc1cn2cc(Br)ccc2n1 ZINC000422732514 476751328 /nfs/dbraw/zinc/75/13/28/476751328.db2.gz OTJVYNBFMDQSDM-LLVKDONJSA-N 1 3 325.254 2.704 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCN1CCc2sccc2C1 ZINC000422739983 476753835 /nfs/dbraw/zinc/75/38/35/476753835.db2.gz MMZSLJBMEHXYKM-YJBOKZPZSA-N 1 3 329.513 2.654 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422744108 476755655 /nfs/dbraw/zinc/75/56/55/476755655.db2.gz SHQIRYRXJLJQFE-RSRIQPTJSA-N 1 3 343.515 2.569 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)N1CCCC1 ZINC000422746103 476756150 /nfs/dbraw/zinc/75/61/50/476756150.db2.gz NJNIDLINQVPNBT-UHOSZYNNSA-N 1 3 331.504 2.810 20 0 EFADHO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N(C)C ZINC000422748119 476757353 /nfs/dbraw/zinc/75/73/53/476757353.db2.gz SAPGQPRSXIKAEV-IFXJQAMLSA-N 1 3 342.487 2.811 20 0 EFADHO Fc1cccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752660 476759887 /nfs/dbraw/zinc/75/98/87/476759887.db2.gz CWHDJAGOJAJPJS-MTFMMBMASA-N 1 3 347.478 2.541 20 0 EFADHO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c1 ZINC000422754923 476761770 /nfs/dbraw/zinc/76/17/70/476761770.db2.gz GIZCSEVITRQUKO-CYBMUJFWSA-N 1 3 329.444 2.759 20 0 EFADHO C[C@H](NC1(CN[C@@H](C)[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422758856 476762653 /nfs/dbraw/zinc/76/26/53/476762653.db2.gz JGSRRUXEMPHWFE-LNLFQRSKSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000422772473 476768857 /nfs/dbraw/zinc/76/88/57/476768857.db2.gz YRYYQWRHEMRGIP-QKYXUNIQSA-N 1 3 330.447 2.525 20 0 EFADHO c1cn(CCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000422773283 476769486 /nfs/dbraw/zinc/76/94/86/476769486.db2.gz ZRBWSXQPVSCZSL-GBESFXJTSA-N 1 3 327.472 2.778 20 0 EFADHO COc1ccc(OC)c(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422772134 476769916 /nfs/dbraw/zinc/76/99/16/476769916.db2.gz YVHYUTUHZGVYDF-HNAYVOBHSA-N 1 3 328.456 2.794 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000386890346 476770497 /nfs/dbraw/zinc/77/04/97/476770497.db2.gz XRTRFQPMKHBYLH-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000387493219 476770981 /nfs/dbraw/zinc/77/09/81/476770981.db2.gz ZTIYGBDZCLBZCQ-QKPAOTATSA-N 1 3 327.513 2.950 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000387493219 476770987 /nfs/dbraw/zinc/77/09/87/476770987.db2.gz ZTIYGBDZCLBZCQ-QKPAOTATSA-N 1 3 327.513 2.950 20 0 EFADHO CC[NH+]1CCC(NC[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000387431101 476771488 /nfs/dbraw/zinc/77/14/88/476771488.db2.gz QDNVCGNAGJIIAH-AWEZNQCLSA-N 1 3 347.286 2.807 20 0 EFADHO CN(C)C(=O)c1cccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422786917 476774829 /nfs/dbraw/zinc/77/48/29/476774829.db2.gz TZEMMPBAOVCGAC-VAMGGRTRSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784233 476774977 /nfs/dbraw/zinc/77/49/77/476774977.db2.gz NTZUFNATQYIIMB-QBYUYEEZSA-N 1 3 337.895 2.651 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784233 476774982 /nfs/dbraw/zinc/77/49/82/476774982.db2.gz NTZUFNATQYIIMB-QBYUYEEZSA-N 1 3 337.895 2.651 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422794894 476778306 /nfs/dbraw/zinc/77/83/06/476778306.db2.gz HFEIBWHEJPXZCF-LALPHHSUSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1cccc(Br)c1 ZINC000422794894 476778315 /nfs/dbraw/zinc/77/83/15/476778315.db2.gz HFEIBWHEJPXZCF-LALPHHSUSA-N 1 3 327.266 2.933 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388612720 476778627 /nfs/dbraw/zinc/77/86/27/476778627.db2.gz MNANSDTYFFSZHT-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422795847 476779328 /nfs/dbraw/zinc/77/93/28/476779328.db2.gz WUGHWVWYRBNBGT-KGLIPLIRSA-N 1 3 329.444 2.975 20 0 EFADHO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(CN)nc1C ZINC000422795846 476779523 /nfs/dbraw/zinc/77/95/23/476779523.db2.gz WUGHWVWYRBNBGT-KBPBESRZSA-N 1 3 329.444 2.975 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OCCN(C)C)cc1F ZINC000413897372 476783885 /nfs/dbraw/zinc/78/38/85/476783885.db2.gz DOCABQHSIZPRRL-CYBMUJFWSA-N 1 3 339.455 2.871 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN1CCc2ccccc2C1 ZINC000422806085 476785588 /nfs/dbraw/zinc/78/55/88/476785588.db2.gz JYGPNMMCEJENLW-AVRDEDQJSA-N 1 3 337.511 2.983 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1Cn1ccnc1 ZINC000422804542 476785666 /nfs/dbraw/zinc/78/56/66/476785666.db2.gz FKOFOWYEZVYANI-DYESRHJHSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422804542 476785675 /nfs/dbraw/zinc/78/56/75/476785675.db2.gz FKOFOWYEZVYANI-DYESRHJHSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000389866638 476786557 /nfs/dbraw/zinc/78/65/57/476786557.db2.gz GZCZYATXXKSSPB-YSHGAJCASA-N 1 3 329.488 2.531 20 0 EFADHO C[NH2+]CC1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000422812530 476788681 /nfs/dbraw/zinc/78/86/81/476788681.db2.gz WMAWSRGLJPIAEG-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000389994646 476789225 /nfs/dbraw/zinc/78/92/25/476789225.db2.gz PXXHFXOHKTWFDK-HNBVOPMISA-N 1 3 343.515 2.649 20 0 EFADHO CC[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@H]1CCCCN1 ZINC000422814808 476789983 /nfs/dbraw/zinc/78/99/83/476789983.db2.gz AFZMNDXVGNKEPB-RBUKOAKNSA-N 1 3 326.488 2.984 20 0 EFADHO CC[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCCCN1 ZINC000422814807 476790176 /nfs/dbraw/zinc/79/01/76/476790176.db2.gz AFZMNDXVGNKEPB-OALUTQOASA-N 1 3 326.488 2.984 20 0 EFADHO CN(C)CCOc1ccccc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422817434 476791160 /nfs/dbraw/zinc/79/11/60/476791160.db2.gz CYQMFMXSUCNGEJ-OALUTQOASA-N 1 3 325.456 2.861 20 0 EFADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422817141 476792253 /nfs/dbraw/zinc/79/22/53/476792253.db2.gz GVCXMCHLHVXYSL-NMLBUPMWSA-N 1 3 337.552 2.634 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Oc1ccccc1F ZINC000422816703 476792602 /nfs/dbraw/zinc/79/26/02/476792602.db2.gz FVBCHMAGKMNZGX-MXSMSXNCSA-N 1 3 336.451 2.730 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422819114 476793987 /nfs/dbraw/zinc/79/39/87/476793987.db2.gz MJFHPRXDPBKYPN-OXQOHEQNSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCN(C)Cc1ccc(F)cc1 ZINC000422819114 476793993 /nfs/dbraw/zinc/79/39/93/476793993.db2.gz MJFHPRXDPBKYPN-OXQOHEQNSA-N 1 3 329.463 2.806 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000422822205 476795545 /nfs/dbraw/zinc/79/55/45/476795545.db2.gz JJGLRCGRDJBFPX-TZMCWYRMSA-N 1 3 339.867 2.797 20 0 EFADHO Fc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422828048 476796804 /nfs/dbraw/zinc/79/68/04/476796804.db2.gz FRTXVPOSGNQESB-GBESFXJTSA-N 1 3 336.451 2.731 20 0 EFADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422829254 476798966 /nfs/dbraw/zinc/79/89/66/476798966.db2.gz BOFMWBVNOPCQAZ-NCXUSEDFSA-N 1 3 332.513 2.764 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1ccccc1Br ZINC000422830344 476799071 /nfs/dbraw/zinc/79/90/71/476799071.db2.gz CVKUJAAUGGZKRM-DYEKYZERSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1ccccc1Br ZINC000422830344 476799078 /nfs/dbraw/zinc/79/90/78/476799078.db2.gz CVKUJAAUGGZKRM-DYEKYZERSA-N 1 3 327.266 2.933 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390781697 476799398 /nfs/dbraw/zinc/79/93/98/476799398.db2.gz RLSIQYZIAXCTHS-QZTJIDSGSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)N)CC1)c1ccccc1 ZINC000422844322 476805806 /nfs/dbraw/zinc/80/58/06/476805806.db2.gz LNBMBBQBAVXMOZ-GJYPPUQNSA-N 1 3 331.504 2.887 20 0 EFADHO Fc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000422846614 476808241 /nfs/dbraw/zinc/80/82/41/476808241.db2.gz QDMDJTKGNUGBAF-GUDVDZBRSA-N 1 3 332.463 2.994 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849548 476808950 /nfs/dbraw/zinc/80/89/50/476808950.db2.gz VACXXAPZINUQDW-QFBILLFUSA-N 1 3 338.455 2.941 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849549 476809567 /nfs/dbraw/zinc/80/95/67/476809567.db2.gz VACXXAPZINUQDW-VQIMIIECSA-N 1 3 338.455 2.941 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1cccc(F)c1 ZINC000422855726 476813827 /nfs/dbraw/zinc/81/38/27/476813827.db2.gz VXZWJMWRUFXPTM-QXCFHYIPSA-N 1 3 336.451 2.730 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000391683300 476815211 /nfs/dbraw/zinc/81/52/11/476815211.db2.gz SWXIRWFCTVBHPU-VQIMIIECSA-N 1 3 331.504 2.901 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000391683300 476815216 /nfs/dbraw/zinc/81/52/16/476815216.db2.gz SWXIRWFCTVBHPU-VQIMIIECSA-N 1 3 331.504 2.901 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@H]3CN)cc2c(OC)c1 ZINC000422865028 476817498 /nfs/dbraw/zinc/81/74/98/476817498.db2.gz ODWMEMMVCQHMJS-GUYCJALGSA-N 1 3 331.460 2.835 20 0 EFADHO COc1cc2[nH]c(CCCN[C@H]3C[NH2+]CC[C@@H]3C)cc2c(OC)c1 ZINC000422869120 476820656 /nfs/dbraw/zinc/82/06/56/476820656.db2.gz WDZHGORIKTZUCO-UGSOOPFHSA-N 1 3 331.460 2.705 20 0 EFADHO CCOC(=O)C1([C@@H](C)NCc2ccc(C)cc2OCC)CC[NH2+]CC1 ZINC000422878148 476823447 /nfs/dbraw/zinc/82/34/47/476823447.db2.gz SOAQPYPXWUKHGO-MRXNPFEDSA-N 1 3 348.487 2.805 20 0 EFADHO CCN(CCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1C ZINC000422879007 476824783 /nfs/dbraw/zinc/82/47/83/476824783.db2.gz JYCKQFANYNYVBU-GBESFXJTSA-N 1 3 331.504 2.568 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC(F)F ZINC000422884857 476827392 /nfs/dbraw/zinc/82/73/92/476827392.db2.gz XSVBCZOMQPUQKZ-PBWFPOADSA-N 1 3 326.387 2.712 20 0 EFADHO COC[C@H](CCC[NH3+])NCc1cc(Oc2ccc(F)cc2)ccn1 ZINC000422889963 476828424 /nfs/dbraw/zinc/82/84/24/476828424.db2.gz RAUJQNMJWOCJOA-HNNXBMFYSA-N 1 3 333.407 2.857 20 0 EFADHO CCN1CCN(Cc2ccc(CN[C@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000422888665 476828520 /nfs/dbraw/zinc/82/85/20/476828520.db2.gz DNTVEHBMVXBJEM-SFTDATJTSA-N 1 3 344.547 2.574 20 0 EFADHO CCN1CCN(Cc2ccc(CN[C@@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000422888663 476828987 /nfs/dbraw/zinc/82/89/87/476828987.db2.gz DNTVEHBMVXBJEM-NHCUHLMSSA-N 1 3 344.547 2.574 20 0 EFADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)N)CCCC2)c1 ZINC000422891693 476830216 /nfs/dbraw/zinc/83/02/16/476830216.db2.gz VZOUQZNEGAPMKF-ZYSHUDEJSA-N 1 3 332.488 2.849 20 0 EFADHO C[C@H](CCCC[NH3+])NCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000422890588 476830934 /nfs/dbraw/zinc/83/09/34/476830934.db2.gz SLWZQODZTSVWOX-OAHLLOKOSA-N 1 3 340.533 2.865 20 0 EFADHO COc1cccc(C2(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)N)CCCC2)c1 ZINC000422891692 476831032 /nfs/dbraw/zinc/83/10/32/476831032.db2.gz VZOUQZNEGAPMKF-KFKAGJAMSA-N 1 3 332.488 2.849 20 0 EFADHO COc1ccc(C2(C[NH2+][C@H]3CCCC[C@@H]3CN)CCOCC2)cc1 ZINC000422896876 476834112 /nfs/dbraw/zinc/83/41/12/476834112.db2.gz IWFDPXUIVJFPEW-APWZRJJASA-N 1 3 332.488 2.851 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422899435 476835164 /nfs/dbraw/zinc/83/51/64/476835164.db2.gz OLWUOYJQRDSTCQ-WOJBJXKFSA-N 1 3 325.456 2.861 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899063 476835341 /nfs/dbraw/zinc/83/53/41/476835341.db2.gz NMXQEWMROYUESD-DUVNUKRYSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000422899063 476835348 /nfs/dbraw/zinc/83/53/48/476835348.db2.gz NMXQEWMROYUESD-DUVNUKRYSA-N 1 3 346.393 2.552 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422899265 476835488 /nfs/dbraw/zinc/83/54/88/476835488.db2.gz OCFDAWWZYXXGKZ-HSALFYBXSA-N 1 3 331.504 2.637 20 0 EFADHO COc1ccc(C2(C[NH2+][C@H]3CCNCC[C@H]3C)CCOCC2)cc1 ZINC000422899324 476835955 /nfs/dbraw/zinc/83/59/55/476835955.db2.gz OJXNYSIWMRGANS-APWZRJJASA-N 1 3 332.488 2.721 20 0 EFADHO CN(C)CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422900011 476836147 /nfs/dbraw/zinc/83/61/47/476836147.db2.gz PQRNKHFTRNVVKQ-XUVXKRRUSA-N 1 3 331.504 2.637 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCCCC[C@H]3[NH3+])c2)CCO1 ZINC000422901640 476838192 /nfs/dbraw/zinc/83/81/92/476838192.db2.gz LIEDDEKYUMLEQL-AHRSYUTCSA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCCC[C@H]3N)c2)CCO1 ZINC000422901640 476838195 /nfs/dbraw/zinc/83/81/95/476838195.db2.gz LIEDDEKYUMLEQL-AHRSYUTCSA-N 1 3 331.504 2.657 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119934 476838900 /nfs/dbraw/zinc/83/89/00/476838900.db2.gz QMJPZMXFDKBXHV-LEWJYISDSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)[N@H+]1CC[C@H](N(C)C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119934 476838902 /nfs/dbraw/zinc/83/89/02/476838902.db2.gz QMJPZMXFDKBXHV-LEWJYISDSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000422908541 476840905 /nfs/dbraw/zinc/84/09/05/476840905.db2.gz MWGHMFXVDYIOEC-LPHOPBHVSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422908203 476840983 /nfs/dbraw/zinc/84/09/83/476840983.db2.gz MDEJWEVARRTWOJ-USXIJHARSA-N 1 3 325.859 2.913 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@@H]3CN)CC2)cs1 ZINC000422913544 476842819 /nfs/dbraw/zinc/84/28/19/476842819.db2.gz QDVWKYHJYSWTIK-WBVHZDCISA-N 1 3 336.549 2.635 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)Nc1cccc(OCCN(C)C)c1 ZINC000422913863 476842918 /nfs/dbraw/zinc/84/29/18/476842918.db2.gz QZTJMENVYYJPGE-JXFKEZNVSA-N 1 3 327.472 2.997 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1ccccc1Cl ZINC000422915291 476844308 /nfs/dbraw/zinc/84/43/08/476844308.db2.gz ARCOZFDFZUVMNA-MUIFIZLQSA-N 1 3 338.879 2.854 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422915970 476844342 /nfs/dbraw/zinc/84/43/42/476844342.db2.gz CCUQSMFPPXBQKE-AZUAARDMSA-N 1 3 330.520 2.754 20 0 EFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1 ZINC000422918746 476844709 /nfs/dbraw/zinc/84/47/09/476844709.db2.gz INUSUMBOBXTZBV-IXDOHACOSA-N 1 3 333.476 2.608 20 0 EFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422918746 476844713 /nfs/dbraw/zinc/84/47/13/476844713.db2.gz INUSUMBOBXTZBV-IXDOHACOSA-N 1 3 333.476 2.608 20 0 EFADHO Cc1cc(C(=O)NC2CC[NH+](CC[C@H]3CCCCN3C)CC2)c(C)o1 ZINC000370504396 476845482 /nfs/dbraw/zinc/84/54/82/476845482.db2.gz HKXBDTRVRRRZLB-GOSISDBHSA-N 1 3 347.503 2.965 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1cccc(C)c1 ZINC000422917645 476845512 /nfs/dbraw/zinc/84/55/12/476845512.db2.gz FJIHUPZOLVSDQG-RSPOEFSDSA-N 1 3 332.488 2.899 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000422922673 476846317 /nfs/dbraw/zinc/84/63/17/476846317.db2.gz QODMNYNPYMYDOS-IUCAKERBSA-N 1 3 325.762 2.848 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCNc1ccc2ccccc2n1 ZINC000422921567 476847087 /nfs/dbraw/zinc/84/70/87/476847087.db2.gz QMPVTRRZHGQWFW-CQSZACIVSA-N 1 3 335.455 3.160 20 0 EFADHO c1cc2c(cc1CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000422931077 476850024 /nfs/dbraw/zinc/85/00/24/476850024.db2.gz WXBYAIXPLILHOB-KZNAEPCWSA-N 1 3 330.472 2.901 20 0 EFADHO COc1cc(OC)cc(OCCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422931605 476851796 /nfs/dbraw/zinc/85/17/96/476851796.db2.gz XYCXCFOEZJOMHS-XUVXKRRUSA-N 1 3 348.487 2.983 20 0 EFADHO CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422934073 476851997 /nfs/dbraw/zinc/85/19/97/476851997.db2.gz FCTVBJQCECGILP-JKWVGCSGSA-N 1 3 327.516 2.942 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000397034060 476852340 /nfs/dbraw/zinc/85/23/40/476852340.db2.gz ZFVKXEAUGXNUCM-UHFFFAOYSA-N 1 3 326.440 2.551 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430548531 476853425 /nfs/dbraw/zinc/85/34/25/476853425.db2.gz LWVQIKQOYPSZEE-VDZJLULYSA-N 1 3 329.488 2.630 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000430548529 476854620 /nfs/dbraw/zinc/85/46/20/476854620.db2.gz LWVQIKQOYPSZEE-KVSKMBFKSA-N 1 3 329.488 2.630 20 0 EFADHO C[C@H](CCC[NH3+])N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000422937925 476855904 /nfs/dbraw/zinc/85/59/04/476855904.db2.gz DHDOLOOZAIFWPA-XLIONFOSSA-N 1 3 339.483 2.631 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422940589 476856159 /nfs/dbraw/zinc/85/61/59/476856159.db2.gz HDTHLUIXDSJBNA-IUODEOHRSA-N 1 3 327.266 2.806 20 0 EFADHO COc1cc(OC)cc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422941940 476857666 /nfs/dbraw/zinc/85/76/66/476857666.db2.gz OYRJZVDRNPQXIW-XUVXKRRUSA-N 1 3 348.487 2.983 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414060267 476857668 /nfs/dbraw/zinc/85/76/68/476857668.db2.gz JITRCMKDCSJUQN-QZTJIDSGSA-N 1 3 339.568 2.976 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000430570502 476862608 /nfs/dbraw/zinc/86/26/08/476862608.db2.gz KLHYNGPNFGIIOM-RBUKOAKNSA-N 1 3 331.504 2.876 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCCOc1cccc(Br)c1 ZINC000422951588 476863007 /nfs/dbraw/zinc/86/30/07/476863007.db2.gz ZEGMQNNWJSZKNC-IUODEOHRSA-N 1 3 327.266 2.935 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000422951588 476863017 /nfs/dbraw/zinc/86/30/17/476863017.db2.gz ZEGMQNNWJSZKNC-IUODEOHRSA-N 1 3 327.266 2.935 20 0 EFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422950561 476863339 /nfs/dbraw/zinc/86/33/39/476863339.db2.gz YJJMOLILXZAWHG-GUDVDZBRSA-N 1 3 332.488 2.720 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430567815 476863354 /nfs/dbraw/zinc/86/33/54/476863354.db2.gz GJANWYKNGCFZID-OCCSQVGLSA-N 1 3 334.851 2.992 20 0 EFADHO CC[NH2+]CC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000430567516 476863393 /nfs/dbraw/zinc/86/33/93/476863393.db2.gz FRUIISUPYUMCRC-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCNC(=O)c1ccc(F)cc1 ZINC000422955138 476864461 /nfs/dbraw/zinc/86/44/61/476864461.db2.gz IRYIMXRNPKKOQR-YJBOKZPZSA-N 1 3 335.467 2.846 20 0 EFADHO [NH3+]CCCOC1CCN(CCCOc2cccc(Cl)c2)CC1 ZINC000430574529 476864672 /nfs/dbraw/zinc/86/46/72/476864672.db2.gz ISQMRXBVAIMZAD-UHFFFAOYSA-N 1 3 326.868 2.939 20 0 EFADHO O=C(C1CCC1)N(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422959463 476865749 /nfs/dbraw/zinc/86/57/49/476865749.db2.gz SCUNDDAHAKLVFY-OTWHNJEPSA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000422957550 476866410 /nfs/dbraw/zinc/86/64/10/476866410.db2.gz NJWXHKZEOOEQEB-AZUAARDMSA-N 1 3 345.531 2.570 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CCCCCC1 ZINC000422961968 476868188 /nfs/dbraw/zinc/86/81/88/476868188.db2.gz DONXNXUSJMKFIR-ZRNYENFQSA-N 1 3 337.552 2.634 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)NCc1ccccc1Cl ZINC000430580227 476869141 /nfs/dbraw/zinc/86/91/41/476869141.db2.gz RMPCDJUJVKWFHT-INIZCTEOSA-N 1 3 325.884 2.652 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000398183838 476870042 /nfs/dbraw/zinc/87/00/42/476870042.db2.gz XTBLIBFCBUDVTI-HBFSDRIKSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CN1Cc1ccccc1 ZINC000398192243 476870587 /nfs/dbraw/zinc/87/05/87/476870587.db2.gz ZVQRWQNEMDDKOI-NXHRZFHOSA-N 1 3 329.488 2.544 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430600511 476875812 /nfs/dbraw/zinc/87/58/12/476875812.db2.gz SBSOPLGFKUVROT-QWHCGFSZSA-N 1 3 339.867 2.736 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422981477 476878448 /nfs/dbraw/zinc/87/84/48/476878448.db2.gz OHMMZPBCBLWJSM-UZLBHIALSA-N 1 3 331.504 2.691 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988210 476879170 /nfs/dbraw/zinc/87/91/70/476879170.db2.gz IPOJHJUTVALPBL-CKEIUWERSA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H]1CCNCC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988210 476879177 /nfs/dbraw/zinc/87/91/77/476879177.db2.gz IPOJHJUTVALPBL-CKEIUWERSA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H](NC(=O)[C@H](C)N1CCC(C[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000430613127 476880067 /nfs/dbraw/zinc/88/00/67/476880067.db2.gz UZQPWVIFBWSZQI-CVEARBPZSA-N 1 3 343.515 2.802 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422993211 476883615 /nfs/dbraw/zinc/88/36/15/476883615.db2.gz RCAZNGBDLWFPRP-DYESRHJHSA-N 1 3 338.499 2.846 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000422999191 476884446 /nfs/dbraw/zinc/88/44/46/476884446.db2.gz DWPWGFXXUMSZRK-VBNZEHGJSA-N 1 3 346.393 2.607 20 0 EFADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004851 476888595 /nfs/dbraw/zinc/88/85/95/476888595.db2.gz QAAIQGUHYWAPJP-QRFRQXIXSA-N 1 3 332.488 2.875 20 0 EFADHO FC(F)(F)c1cccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423010546 476889061 /nfs/dbraw/zinc/88/90/61/476889061.db2.gz GVOLWEQUMVBJPS-MGPQQGTHSA-N 1 3 343.393 2.990 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010426 476889694 /nfs/dbraw/zinc/88/96/94/476889694.db2.gz GFWRJTMQJIKPRO-YZGWKJHDSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000400536958 476892411 /nfs/dbraw/zinc/89/24/11/476892411.db2.gz TZZDGIFIKOJSHE-OAHLLOKOSA-N 1 3 337.508 2.874 20 0 EFADHO Fc1ccccc1N1CCC[C@H](N[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000423017555 476892933 /nfs/dbraw/zinc/89/29/33/476892933.db2.gz WNLMVZIRZSOKCX-PBWTXFEYSA-N 1 3 347.478 2.541 20 0 EFADHO CC[C@H](NC[C@H]1CC(=O)N(Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423018171 476893409 /nfs/dbraw/zinc/89/34/09/476893409.db2.gz YFQJKJUEPQMLRI-CEXWTWQISA-N 1 3 329.488 2.545 20 0 EFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CCCN1 ZINC000414953806 476899669 /nfs/dbraw/zinc/89/96/69/476899669.db2.gz KCTZCUKYXSLKFZ-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414952465 476900637 /nfs/dbraw/zinc/90/06/37/476900637.db2.gz QUHYHYAXGKPXKG-OBJOEFQTSA-N 1 3 339.867 2.796 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000414952465 476900642 /nfs/dbraw/zinc/90/06/42/476900642.db2.gz QUHYHYAXGKPXKG-OBJOEFQTSA-N 1 3 339.867 2.796 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H](Cc3ccccc3)C3CC3)C2)CC1 ZINC000370624482 476901823 /nfs/dbraw/zinc/90/18/23/476901823.db2.gz LRIZRXAJGPCQQH-PZJWPPBQSA-N 1 3 327.516 2.766 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401865874 476902849 /nfs/dbraw/zinc/90/28/49/476902849.db2.gz KCFPAAJZGKLLNI-LJQANCHMSA-N 1 3 345.487 2.860 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401865872 476903731 /nfs/dbraw/zinc/90/37/31/476903731.db2.gz KCFPAAJZGKLLNI-IBGZPJMESA-N 1 3 345.487 2.860 20 0 EFADHO C[C@@H](CCCC[NH3+])N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423048383 476905384 /nfs/dbraw/zinc/90/53/84/476905384.db2.gz HUAOYVYLIGKZRV-JSGCOSHPSA-N 1 3 343.393 2.918 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)c1cccc(CN2CCCC2)c1 ZINC000430714342 476906241 /nfs/dbraw/zinc/90/62/41/476906241.db2.gz NMEJGNCHHKINNO-SFHVURJKSA-N 1 3 329.488 2.790 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423054752 476908644 /nfs/dbraw/zinc/90/86/44/476908644.db2.gz UYLCJDAUGCTIOU-KGLIPLIRSA-N 1 3 331.382 2.815 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000370638891 476909139 /nfs/dbraw/zinc/90/91/39/476909139.db2.gz ZZJGXJCXRROKFQ-FXAWDEMLSA-N 1 3 345.556 2.775 20 0 EFADHO [NH3+][C@@H]1C[C@@H](NCC2CCN(CC(F)(F)F)CC2)c2ccccc21 ZINC000423058965 476909507 /nfs/dbraw/zinc/90/95/07/476909507.db2.gz DNGXLFKTQNLSBV-HZPDHXFCSA-N 1 3 327.394 2.995 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000430761445 476914155 /nfs/dbraw/zinc/91/41/55/476914155.db2.gz MEWDWKPMDBFOSH-NEWSRXKRSA-N 1 3 343.515 2.703 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000430761449 476914269 /nfs/dbraw/zinc/91/42/69/476914269.db2.gz MEWDWKPMDBFOSH-WDSOQIARSA-N 1 3 343.515 2.703 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)C[NH2+]CC1CC1 ZINC000430764588 476915949 /nfs/dbraw/zinc/91/59/49/476915949.db2.gz SPUMOJFUQGNYND-LJQANCHMSA-N 1 3 343.515 2.575 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000423073533 476916571 /nfs/dbraw/zinc/91/65/71/476916571.db2.gz IZQIWZCUPVKLSJ-IPMKNSEASA-N 1 3 333.545 2.854 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 ZINC000423074403 476916833 /nfs/dbraw/zinc/91/68/33/476916833.db2.gz LOKGWQRCARMDMH-APHBMKBZSA-N 1 3 330.394 2.505 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423073535 476917059 /nfs/dbraw/zinc/91/70/59/476917059.db2.gz IZQIWZCUPVKLSJ-QRVBRYPASA-N 1 3 333.545 2.854 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000423072557 476917555 /nfs/dbraw/zinc/91/75/55/476917555.db2.gz JPHXBJZUNVDRTF-GXTWGEPZSA-N 1 3 331.382 2.976 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423077297 476919367 /nfs/dbraw/zinc/91/93/67/476919367.db2.gz SVTXZHKJCOMCMP-IPMKNSEASA-N 1 3 333.545 2.711 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423077297 476919370 /nfs/dbraw/zinc/91/93/70/476919370.db2.gz SVTXZHKJCOMCMP-IPMKNSEASA-N 1 3 333.545 2.711 20 0 EFADHO c1ccc(N2CCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423081094 476920327 /nfs/dbraw/zinc/92/03/27/476920327.db2.gz BCYAZBYZSGUSIT-CWJKEVGVSA-N 1 3 343.515 2.650 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@](C)(CO)Cc1ccccc1 ZINC000423083000 476920571 /nfs/dbraw/zinc/92/05/71/476920571.db2.gz XZRXYLQLCCOFDQ-DZFGPLHGSA-N 1 3 326.484 2.776 20 0 EFADHO c1ccc(N2CCC[C@H](CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423081095 476920972 /nfs/dbraw/zinc/92/09/72/476920972.db2.gz BCYAZBYZSGUSIT-GFOJFJKKSA-N 1 3 343.515 2.650 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080303 476921176 /nfs/dbraw/zinc/92/11/76/476921176.db2.gz ZLXLVYYTHYYPDC-XWPNQZOQSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000423080303 476921185 /nfs/dbraw/zinc/92/11/85/476921185.db2.gz ZLXLVYYTHYYPDC-XWPNQZOQSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@](C)(CO)Cc1ccccc1 ZINC000423083004 476922179 /nfs/dbraw/zinc/92/21/79/476922179.db2.gz XZRXYLQLCCOFDQ-YYWHXJBOSA-N 1 3 326.484 2.776 20 0 EFADHO CC(C)[C@@H](COCc1ccccc1)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000446819672 476922687 /nfs/dbraw/zinc/92/26/87/476922687.db2.gz ZAXPVJHBXAUSAW-LEWJYISDSA-N 1 3 348.531 2.910 20 0 EFADHO FC(F)(F)c1ccc(OCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000423083635 476922803 /nfs/dbraw/zinc/92/28/03/476922803.db2.gz ZDHQOTFZEGREIW-PBWFPOADSA-N 1 3 329.366 2.742 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091947 476924168 /nfs/dbraw/zinc/92/41/68/476924168.db2.gz ZSSROGBMAXLHTD-JGGQBBKZSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091947 476924174 /nfs/dbraw/zinc/92/41/74/476924174.db2.gz ZSSROGBMAXLHTD-JGGQBBKZSA-N 1 3 338.293 2.745 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090566 476924837 /nfs/dbraw/zinc/92/48/37/476924837.db2.gz VQDYEYPOMOQRHT-SGMGOOAPSA-N 1 3 326.282 2.743 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093350 476925329 /nfs/dbraw/zinc/92/53/29/476925329.db2.gz HCJFFJAAOLQMHG-VBNZEHGJSA-N 1 3 346.393 2.512 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423093350 476925334 /nfs/dbraw/zinc/92/53/34/476925334.db2.gz HCJFFJAAOLQMHG-VBNZEHGJSA-N 1 3 346.393 2.512 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423093347 476926286 /nfs/dbraw/zinc/92/62/86/476926286.db2.gz HCJFFJAAOLQMHG-APHBMKBZSA-N 1 3 346.393 2.512 20 0 EFADHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1cccc(OCC(F)(F)F)c1 ZINC000423093347 476926296 /nfs/dbraw/zinc/92/62/96/476926296.db2.gz HCJFFJAAOLQMHG-APHBMKBZSA-N 1 3 346.393 2.512 20 0 EFADHO C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)[C@H]1CCCN1C1CCCCC1 ZINC000423094760 476926347 /nfs/dbraw/zinc/92/63/47/476926347.db2.gz KSKKOKLOWPBDBJ-WCIQWLHISA-N 1 3 335.536 2.530 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000452345375 476927138 /nfs/dbraw/zinc/92/71/38/476927138.db2.gz QUOKLHQBVGYMSK-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000423107950 476931486 /nfs/dbraw/zinc/93/14/86/476931486.db2.gz QITUGMMDNOSUBJ-OXQOHEQNSA-N 1 3 331.504 2.780 20 0 EFADHO CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000407357737 476932972 /nfs/dbraw/zinc/93/29/72/476932972.db2.gz PBDUPWRDGDMZIX-PMACEKPBSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](CO)c1ccccc1Cl ZINC000423118723 476933860 /nfs/dbraw/zinc/93/38/60/476933860.db2.gz CBHOMWMUEKCMDG-GMBSWORKSA-N 1 3 332.875 2.964 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](Cc1ccccc1)C(F)(F)F ZINC000423127434 476937863 /nfs/dbraw/zinc/93/78/63/476937863.db2.gz TVBHQNVGLUUGCK-UKMLZYKCSA-N 1 3 330.394 2.750 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(N2CCOCC2)c1 ZINC000423130301 476939401 /nfs/dbraw/zinc/93/94/01/476939401.db2.gz GPFBNMDEDUMSHA-NJDAHSKKSA-N 1 3 343.515 2.924 20 0 EFADHO COc1cccc(CN2CCC3(CC[NH2+]C3)CC2)c1OC(F)F ZINC000430931085 476941062 /nfs/dbraw/zinc/94/10/62/476941062.db2.gz VCVTWTNTCAFTGP-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370703391 476941566 /nfs/dbraw/zinc/94/15/66/476941566.db2.gz ZVBYZFKRMVVMCI-OQRUQETBSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000370703391 476941573 /nfs/dbraw/zinc/94/15/73/476941573.db2.gz ZVBYZFKRMVVMCI-OQRUQETBSA-N 1 3 331.479 2.797 20 0 EFADHO COc1cc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000423140704 476942383 /nfs/dbraw/zinc/94/23/83/476942383.db2.gz ZFFNZIJZIHIEAI-BHYGNILZSA-N 1 3 338.879 2.638 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000423139396 476942595 /nfs/dbraw/zinc/94/25/95/476942595.db2.gz ZSUWTCPYCNULKN-KXBFYZLASA-N 1 3 335.451 2.587 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000430936047 476943308 /nfs/dbraw/zinc/94/33/08/476943308.db2.gz WOKHGOHQRKNUDM-MRXNPFEDSA-N 1 3 331.504 2.873 20 0 EFADHO C[C@H]1CN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430962087 476951259 /nfs/dbraw/zinc/95/12/59/476951259.db2.gz PJDNWIHRYQTTLG-FZMZJTMJSA-N 1 3 329.366 2.703 20 0 EFADHO CCN(C(=O)CN1CCC([C@H](C)[NH3+])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000430959519 476951333 /nfs/dbraw/zinc/95/13/33/476951333.db2.gz ZXHSGSXDOLRXPD-GJZGRUSLSA-N 1 3 335.467 2.794 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)CCCC[NH3+])c1 ZINC000423170291 476951836 /nfs/dbraw/zinc/95/18/36/476951836.db2.gz LOAXZLVFRFPHAA-GFCCVEGCSA-N 1 3 332.897 2.741 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC(F)F ZINC000423176829 476953737 /nfs/dbraw/zinc/95/37/37/476953737.db2.gz IBFRTOKJCLZPHX-LBPRGKRZSA-N 1 3 347.837 2.887 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1csc(-c2ccccc2)n1 ZINC000423181275 476955142 /nfs/dbraw/zinc/95/51/42/476955142.db2.gz JMRRJGCJUVWSPS-HNNXBMFYSA-N 1 3 330.501 2.756 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423177748 476956032 /nfs/dbraw/zinc/95/60/32/476956032.db2.gz HTZHNESCBXOLET-PLACYPQZSA-N 1 3 345.531 2.773 20 0 EFADHO CCOc1ccc(Cl)cc1[C@H](C)NCCCN1CC[NH2+]CC1 ZINC000423187203 476956832 /nfs/dbraw/zinc/95/68/32/476956832.db2.gz XLGULCSXPALBHZ-AWEZNQCLSA-N 1 3 325.884 2.685 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C(C)C)CC3)CC2)CC1 ZINC000408517505 476959776 /nfs/dbraw/zinc/95/97/76/476959776.db2.gz JTRMAWWHSWLCJO-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000366335301 476959931 /nfs/dbraw/zinc/95/99/31/476959931.db2.gz TZBTVMINTRVEOE-FQEVSTJZSA-N 1 3 343.515 2.717 20 0 EFADHO Cc1nc(-c2cc([C@H](C)NCCN3CC[NH2+]CC3)cs2)cs1 ZINC000423203446 476961829 /nfs/dbraw/zinc/96/18/29/476961829.db2.gz MSJFIENUXIWCOX-LBPRGKRZSA-N 1 3 336.530 2.736 20 0 EFADHO C[C@@H](NC(=O)CN1CCC2(CC[NH2+]C2)CC1)c1ccc(Cl)cc1 ZINC000431030110 476963025 /nfs/dbraw/zinc/96/30/25/476963025.db2.gz JIJLMGXVRJDOHE-CQSZACIVSA-N 1 3 335.879 2.593 20 0 EFADHO Clc1ccc2c(c1)[C@H](NCCN1CC[NH2+]CC1)CCCS2 ZINC000423206350 476963438 /nfs/dbraw/zinc/96/34/38/476963438.db2.gz QNDIWSBIAIZWJQ-OAHLLOKOSA-N 1 3 325.909 2.762 20 0 EFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC[NH2+]C2)CC1 ZINC000431040337 476966326 /nfs/dbraw/zinc/96/63/26/476966326.db2.gz WHAZPIJVYYSUFD-SIHNGCNOSA-N 1 3 345.531 2.535 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000415906327 476966439 /nfs/dbraw/zinc/96/64/39/476966439.db2.gz XGROGJSRTMTWRJ-GOSISDBHSA-N 1 3 338.455 2.802 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000431062645 476969972 /nfs/dbraw/zinc/96/99/72/476969972.db2.gz RYBCEXGRLMFDAL-DSLRARGZSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@@H](NCC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423260262 476976911 /nfs/dbraw/zinc/97/69/11/476976911.db2.gz PSYVHOWHLBUVSL-KGLIPLIRSA-N 1 3 333.867 2.961 20 0 EFADHO Cc1c([C@@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(F)cc1 ZINC000423263149 476978757 /nfs/dbraw/zinc/97/87/57/476978757.db2.gz WXCCSGPWQWQSJJ-UKRRQHHQSA-N 1 3 331.439 2.755 20 0 EFADHO CC[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423262968 476979343 /nfs/dbraw/zinc/97/93/43/476979343.db2.gz ACNQNXDZRXNFNG-RYQLBKOJSA-N 1 3 347.503 2.712 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000415990274 476979616 /nfs/dbraw/zinc/97/96/16/476979616.db2.gz NCNFNVQKEYCQRV-IBGZPJMESA-N 1 3 338.455 2.802 20 0 EFADHO C[C@@H](CCc1ccc(I)cc1)NCC(C)(C)[NH3+] ZINC000423282234 476981875 /nfs/dbraw/zinc/98/18/75/476981875.db2.gz CNNPLWDCTQKLED-NSHDSACASA-N 1 3 346.256 2.939 20 0 EFADHO CCC(N)(CC)C[NH2+][C@@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000423288492 476983672 /nfs/dbraw/zinc/98/36/72/476983672.db2.gz SLAPKWGYKFBFCD-KRWDZBQOSA-N 1 3 331.464 2.525 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370789882 476985986 /nfs/dbraw/zinc/98/59/86/476985986.db2.gz ZFLULSVIHKWFFN-UHFFFAOYSA-N 1 3 327.472 2.639 20 0 EFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CC[N@@H+](C2CCC2)C1 ZINC000416002916 476987566 /nfs/dbraw/zinc/98/75/66/476987566.db2.gz DRXPHDHPSAYZLV-CQSZACIVSA-N 1 3 328.460 2.628 20 0 EFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNC3)CC[N@H+](C2CCC2)C1 ZINC000416002916 476987575 /nfs/dbraw/zinc/98/75/75/476987575.db2.gz DRXPHDHPSAYZLV-CQSZACIVSA-N 1 3 328.460 2.628 20 0 EFADHO C[C@H](CCc1ccc(I)cc1)[NH2+]C[C@@H](C)CN ZINC000423314337 476989700 /nfs/dbraw/zinc/98/97/00/476989700.db2.gz YESBFNFQXDBAKQ-NWDGAFQWSA-N 1 3 346.256 2.797 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccccc1CN1CCCCC1)[C@H](C)[NH3+] ZINC000423317938 476991913 /nfs/dbraw/zinc/99/19/13/476991913.db2.gz YVSFPXUWDULXIH-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1cccc(OC)c1 ZINC000423316141 476992749 /nfs/dbraw/zinc/99/27/49/476992749.db2.gz YBEAWSGUVMYEEF-ATZDWAIDSA-N 1 3 347.503 2.582 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423322244 476994217 /nfs/dbraw/zinc/99/42/17/476994217.db2.gz GHLKDDVJPKJVTQ-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000423322244 476994223 /nfs/dbraw/zinc/99/42/23/476994223.db2.gz GHLKDDVJPKJVTQ-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423329458 476995732 /nfs/dbraw/zinc/99/57/32/476995732.db2.gz SVHIOBOGCVTVCE-ACJLOTCBSA-N 1 3 336.501 2.791 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423328519 476996298 /nfs/dbraw/zinc/99/62/98/476996298.db2.gz KRSULMMAASLXGG-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423328519 476996305 /nfs/dbraw/zinc/99/63/05/476996305.db2.gz KRSULMMAASLXGG-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423336254 476999266 /nfs/dbraw/zinc/99/92/66/476999266.db2.gz UJLALHRICDQGBN-UXPWSPDFSA-N 1 3 345.531 2.805 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423346447 477001609 /nfs/dbraw/zinc/00/16/09/477001609.db2.gz PHAITYBGDLVXFP-MSOLQXFVSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000423351852 477002427 /nfs/dbraw/zinc/00/24/27/477002427.db2.gz JCJMXLXPEKWECC-OCCSQVGLSA-N 1 3 339.867 2.607 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1)[C@H](C)[NH3+] ZINC000423353823 477003225 /nfs/dbraw/zinc/00/32/25/477003225.db2.gz MMNGQKCAJOPKQW-BLLLJJGKSA-N 1 3 341.883 2.838 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[C@@H](C)CCN3)c2)CC1 ZINC000423361815 477004623 /nfs/dbraw/zinc/00/46/23/477004623.db2.gz SAAGZWZOIYOINU-PXNSSMCTSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423372830 477008101 /nfs/dbraw/zinc/00/81/01/477008101.db2.gz BJYBZTWVCXSAFO-IAGOWNOFSA-N 1 3 341.421 2.798 20 0 EFADHO CC[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)c(C)c2)CC[NH2+]C1 ZINC000370847520 477009587 /nfs/dbraw/zinc/00/95/87/477009587.db2.gz SNMNYWCWFCNNKH-FQEVSTJZSA-N 1 3 345.487 2.798 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000423377682 477010734 /nfs/dbraw/zinc/01/07/34/477010734.db2.gz WCPPLWDCIZRQNA-FERZIJSQSA-N 1 3 335.442 2.625 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000423381407 477012671 /nfs/dbraw/zinc/01/26/71/477012671.db2.gz FNFZZBMJXJOSPN-BWPNAZKDSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423392555 477015132 /nfs/dbraw/zinc/01/51/32/477015132.db2.gz OKPAPIQVFZDVGJ-AYOQOUSVSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000423392555 477015138 /nfs/dbraw/zinc/01/51/38/477015138.db2.gz OKPAPIQVFZDVGJ-AYOQOUSVSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1 ZINC000423393769 477015217 /nfs/dbraw/zinc/01/52/17/477015217.db2.gz RHAXTNLKZMGTEN-BXUZGUMPSA-N 1 3 335.801 2.827 20 0 EFADHO CC[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423393741 477015421 /nfs/dbraw/zinc/01/54/21/477015421.db2.gz RGGOTSXWKGZYBT-GJZGRUSLSA-N 1 3 333.373 2.703 20 0 EFADHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423394265 477015667 /nfs/dbraw/zinc/01/56/67/477015667.db2.gz RXFITPOYFDYZLW-BXUZGUMPSA-N 1 3 335.801 2.827 20 0 EFADHO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423395139 477015693 /nfs/dbraw/zinc/01/56/93/477015693.db2.gz RSPQGAFDULJXEI-BHYGNILZSA-N 1 3 328.460 2.920 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580731 477016688 /nfs/dbraw/zinc/01/66/88/477016688.db2.gz RDSRMPSZWDQMTL-RTBURBONSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580731 477016690 /nfs/dbraw/zinc/01/66/90/477016690.db2.gz RDSRMPSZWDQMTL-RTBURBONSA-N 1 3 339.568 2.835 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2CCCC(C)(C)C2)[C@H](C)C1 ZINC000447580731 477016694 /nfs/dbraw/zinc/01/66/94/477016694.db2.gz RDSRMPSZWDQMTL-RTBURBONSA-N 1 3 339.568 2.835 20 0 EFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(C)c1 ZINC000423399837 477016781 /nfs/dbraw/zinc/01/67/81/477016781.db2.gz UREIUGYLRNJWMS-JKSUJKDBSA-N 1 3 329.410 2.872 20 0 EFADHO C[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000375803627 477016972 /nfs/dbraw/zinc/01/69/72/477016972.db2.gz DLKXDAIAKFUCJI-QZWWFDLISA-N 1 3 337.508 2.752 20 0 EFADHO C[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000375803627 477016983 /nfs/dbraw/zinc/01/69/83/477016983.db2.gz DLKXDAIAKFUCJI-QZWWFDLISA-N 1 3 337.508 2.752 20 0 EFADHO COCC1(CN[C@@H](c2ccccc2)c2ccc(F)cn2)CC[NH2+]CC1 ZINC000423400553 477018778 /nfs/dbraw/zinc/01/87/78/477018778.db2.gz FSCGWNITAZMZNU-IBGZPJMESA-N 1 3 343.446 2.916 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423401068 477019233 /nfs/dbraw/zinc/01/92/33/477019233.db2.gz GENXMVKNVGQVKV-FUHWJXTLSA-N 1 3 331.504 2.807 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423401068 477019240 /nfs/dbraw/zinc/01/92/40/477019240.db2.gz GENXMVKNVGQVKV-FUHWJXTLSA-N 1 3 331.504 2.807 20 0 EFADHO CSc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423403207 477020192 /nfs/dbraw/zinc/02/01/92/477020192.db2.gz ZDDSOVAHPUZVJW-IUODEOHRSA-N 1 3 347.450 2.895 20 0 EFADHO Fc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423404662 477021316 /nfs/dbraw/zinc/02/13/16/477021316.db2.gz ZZTXOSQQKWSJGE-CVEARBPZSA-N 1 3 345.384 2.629 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000423408182 477021547 /nfs/dbraw/zinc/02/15/47/477021547.db2.gz ODDMHOVSDQFPGD-HOTGVXAUSA-N 1 3 325.456 2.957 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2c(c1)CNC2 ZINC000423406949 477021936 /nfs/dbraw/zinc/02/19/36/477021936.db2.gz ZMWFAWXZRMRLKT-TZIWHRDSSA-N 1 3 335.451 2.635 20 0 EFADHO Cc1cccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000423404300 477021974 /nfs/dbraw/zinc/02/19/74/477021974.db2.gz ZVFOAFALVIGOHL-ZBFHGGJFSA-N 1 3 329.410 2.790 20 0 EFADHO COCC1(CN[C@H](c2ccc(F)cc2)c2ccccn2)CC[NH2+]CC1 ZINC000423409595 477023658 /nfs/dbraw/zinc/02/36/58/477023658.db2.gz QNSVYRDKEOVYPS-LJQANCHMSA-N 1 3 343.446 2.916 20 0 EFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CCCN1 ZINC000423420968 477028757 /nfs/dbraw/zinc/02/87/57/477028757.db2.gz XJILPWIQGMNYES-CJNGLKHVSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000423429261 477030083 /nfs/dbraw/zinc/03/00/83/477030083.db2.gz SEESMRCWEIJRBT-OAHLLOKOSA-N 1 3 337.467 2.535 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495356 477039421 /nfs/dbraw/zinc/03/94/21/477039421.db2.gz GCEZTIZUUYWUPA-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366495356 477039426 /nfs/dbraw/zinc/03/94/26/477039426.db2.gz GCEZTIZUUYWUPA-LPHOPBHVSA-N 1 3 337.508 2.661 20 0 EFADHO C/C=C/COc1ccc(CC[C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423515463 477056767 /nfs/dbraw/zinc/05/67/67/477056767.db2.gz NHOFSSSISAXRQN-BPNLWIQDSA-N 1 3 332.488 2.931 20 0 EFADHO C/C=C\COc1ccc(CC[C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423515465 477056982 /nfs/dbraw/zinc/05/69/82/477056982.db2.gz NHOFSSSISAXRQN-NKFSZRILSA-N 1 3 332.488 2.931 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536287 477066869 /nfs/dbraw/zinc/06/68/69/477066869.db2.gz ZIYVBJDQNSXURV-MVWVFHAYSA-N 1 3 335.495 2.852 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423536289 477067208 /nfs/dbraw/zinc/06/72/08/477067208.db2.gz ZIYVBJDQNSXURV-YCZSINBZSA-N 1 3 335.495 2.852 20 0 EFADHO COCC[C@H]1CCC[C@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423548791 477070638 /nfs/dbraw/zinc/07/06/38/477070638.db2.gz DXOMTVRRZZASQF-WOJBJXKFSA-N 1 3 345.531 2.775 20 0 EFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccncc1F ZINC000423575970 477073086 /nfs/dbraw/zinc/07/30/86/477073086.db2.gz QSFMAPJGQCRFCR-INIZCTEOSA-N 1 3 342.462 2.865 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccccc1CN(C)C ZINC000452773470 477078985 /nfs/dbraw/zinc/07/89/85/477078985.db2.gz MAZXPSZZTKDMJB-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)[C@@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000431727397 477083401 /nfs/dbraw/zinc/08/34/01/477083401.db2.gz UDDWJDCNZIDXPK-IBGZPJMESA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000431727398 477083858 /nfs/dbraw/zinc/08/38/58/477083858.db2.gz UDDWJDCNZIDXPK-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CCN1CCc2ccccc2C1 ZINC000416246202 477091440 /nfs/dbraw/zinc/09/14/40/477091440.db2.gz UPABZYUVUMFZEK-YLJYHZDGSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@@H]1OCC[C@]1(O)C[N@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000447925126 477091682 /nfs/dbraw/zinc/09/16/82/477091682.db2.gz IFZQDLOBPBBRMS-SXLOBPIMSA-N 1 3 332.488 2.513 20 0 EFADHO C[C@@H]1OCC[C@]1(O)C[N@@H+](CC[C@H]1CCCN1C)Cc1ccccc1 ZINC000447925126 477091690 /nfs/dbraw/zinc/09/16/90/477091690.db2.gz IFZQDLOBPBBRMS-SXLOBPIMSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C(C)C ZINC000447951167 477099590 /nfs/dbraw/zinc/09/95/90/477099590.db2.gz DEUATIAVRDUNLP-KRWDZBQOSA-N 1 3 340.556 2.915 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCC(C)CC1 ZINC000447962497 477104701 /nfs/dbraw/zinc/10/47/01/477104701.db2.gz HRIHCIFLDGZDOH-IRXDYDNUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000447977969 477107798 /nfs/dbraw/zinc/10/77/98/477107798.db2.gz OZHWXLALXXQPNV-IXDOHACOSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H]1N(C)CCCC1(C)C)[N@H+]1CCCC[C@H]1C ZINC000447977969 477107801 /nfs/dbraw/zinc/10/78/01/477107801.db2.gz OZHWXLALXXQPNV-IXDOHACOSA-N 1 3 338.540 2.669 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000447989862 477111124 /nfs/dbraw/zinc/11/11/24/477111124.db2.gz PYMPDYFABRICBM-HNNXBMFYSA-N 1 3 338.540 2.715 20 0 EFADHO C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423706728 477117733 /nfs/dbraw/zinc/11/77/33/477117733.db2.gz CAKOPVCULRPHMU-VQIMIIECSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000423720761 477122517 /nfs/dbraw/zinc/12/25/17/477122517.db2.gz BAWGKOLNXUEZTF-OHQAAIJDSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000423720761 477122523 /nfs/dbraw/zinc/12/25/23/477122523.db2.gz BAWGKOLNXUEZTF-OHQAAIJDSA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721903 477122824 /nfs/dbraw/zinc/12/28/24/477122824.db2.gz CKSOQCGNKGZCAX-ZRGWGRIASA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721903 477122827 /nfs/dbraw/zinc/12/28/27/477122827.db2.gz CKSOQCGNKGZCAX-ZRGWGRIASA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000423720909 477123156 /nfs/dbraw/zinc/12/31/56/477123156.db2.gz BAWGKOLNXUEZTF-QXGSTGNESA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000423720909 477123163 /nfs/dbraw/zinc/12/31/63/477123163.db2.gz BAWGKOLNXUEZTF-QXGSTGNESA-N 1 3 347.478 2.732 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000423726243 477124369 /nfs/dbraw/zinc/12/43/69/477124369.db2.gz JHJRMDHDSXNEDS-JFRXWTBNSA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000423726243 477124372 /nfs/dbraw/zinc/12/43/72/477124372.db2.gz JHJRMDHDSXNEDS-JFRXWTBNSA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423731925 477126112 /nfs/dbraw/zinc/12/61/12/477126112.db2.gz RRXWTZZQFSKFGD-NBMJBFSESA-N 1 3 329.488 2.940 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000423731925 477126117 /nfs/dbraw/zinc/12/61/17/477126117.db2.gz RRXWTZZQFSKFGD-NBMJBFSESA-N 1 3 329.488 2.940 20 0 EFADHO CC[C@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]1 ZINC000423738820 477127722 /nfs/dbraw/zinc/12/77/22/477127722.db2.gz FFRLOSXAZIEQMW-OAQYLSRUSA-N 1 3 343.515 2.686 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423743180 477130866 /nfs/dbraw/zinc/13/08/66/477130866.db2.gz JSDZVUHRXALSJU-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000423743178 477130954 /nfs/dbraw/zinc/13/09/54/477130954.db2.gz JSDZVUHRXALSJU-VQTJNVASSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000423756194 477135242 /nfs/dbraw/zinc/13/52/42/477135242.db2.gz GFWVGYBRPRKKDN-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO O=C(C[C@H]1CC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423765001 477136047 /nfs/dbraw/zinc/13/60/47/477136047.db2.gz WKXQXCFAWWCKKV-QGZVFWFLSA-N 1 3 349.906 2.764 20 0 EFADHO [NH3+][C@H]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000423762523 477136360 /nfs/dbraw/zinc/13/63/60/477136360.db2.gz SOVDLKSSFSJMGZ-AEFFLSMTSA-N 1 3 349.906 2.892 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NC1CC([NH+]2CCCCC2)C1 ZINC000376026460 477138272 /nfs/dbraw/zinc/13/82/72/477138272.db2.gz AMEZCTXEEIMHEI-GRTSSRMGSA-N 1 3 341.297 2.641 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000423769830 477138763 /nfs/dbraw/zinc/13/87/63/477138763.db2.gz FPWMKOJDEABIBR-HZPDHXFCSA-N 1 3 337.533 2.664 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000423780720 477141007 /nfs/dbraw/zinc/14/10/07/477141007.db2.gz GNRGNYGTKPTAOX-OAHLLOKOSA-N 1 3 338.455 2.748 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H]1N(C)CCCC1(C)C)[NH+]1CCCCC1 ZINC000448261558 477153162 /nfs/dbraw/zinc/15/31/62/477153162.db2.gz QIDNODHJPVDUPB-DLBZAZTESA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453056015 477154519 /nfs/dbraw/zinc/15/45/19/477154519.db2.gz KKWZCYHCELDERA-AQNXPRMDSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453056015 477154525 /nfs/dbraw/zinc/15/45/25/477154525.db2.gz KKWZCYHCELDERA-AQNXPRMDSA-N 1 3 343.515 2.791 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453063133 477155869 /nfs/dbraw/zinc/15/58/69/477155869.db2.gz VDGAREZOCMKJJO-XUVXKRRUSA-N 1 3 341.499 2.545 20 0 EFADHO O=C(NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000453063133 477155877 /nfs/dbraw/zinc/15/58/77/477155877.db2.gz VDGAREZOCMKJJO-XUVXKRRUSA-N 1 3 341.499 2.545 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000457715792 477158712 /nfs/dbraw/zinc/15/87/12/477158712.db2.gz SFHRHGQPKWKFAB-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000457715792 477158718 /nfs/dbraw/zinc/15/87/18/477158718.db2.gz SFHRHGQPKWKFAB-GOSISDBHSA-N 1 3 338.540 2.765 20 0 EFADHO CC(C)(O)CN1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411227260 477159660 /nfs/dbraw/zinc/15/96/60/477159660.db2.gz KMLOLLVDTXVSLJ-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453071202 477159882 /nfs/dbraw/zinc/15/98/82/477159882.db2.gz DEMVEKYOHFYCIU-AQNXPRMDSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453071202 477159891 /nfs/dbraw/zinc/15/98/91/477159891.db2.gz DEMVEKYOHFYCIU-AQNXPRMDSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccncn1 ZINC000453079015 477162342 /nfs/dbraw/zinc/16/23/42/477162342.db2.gz NZBIBGLTHYNTIL-SFHVURJKSA-N 1 3 339.487 2.730 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453080702 477163107 /nfs/dbraw/zinc/16/31/07/477163107.db2.gz FTBIAGHWNPOHKG-HXUWFJFHSA-N 1 3 328.504 2.762 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000453103521 477170167 /nfs/dbraw/zinc/17/01/67/477170167.db2.gz WQWMTJSWQCVDNE-WCXIOVBPSA-N 1 3 342.405 2.942 20 0 EFADHO CCOCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376097829 477174616 /nfs/dbraw/zinc/17/46/16/477174616.db2.gz ODLHKCRJIZJBDA-SFTDATJTSA-N 1 3 346.515 2.762 20 0 EFADHO CCOCC[C@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376097829 477174619 /nfs/dbraw/zinc/17/46/19/477174619.db2.gz ODLHKCRJIZJBDA-SFTDATJTSA-N 1 3 346.515 2.762 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453141178 477177730 /nfs/dbraw/zinc/17/77/30/477177730.db2.gz KTBQFCYRBZQIAZ-QSUVIHHLSA-N 1 3 326.484 2.956 20 0 EFADHO OC[C@H]1C=C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453141178 477177733 /nfs/dbraw/zinc/17/77/33/477177733.db2.gz KTBQFCYRBZQIAZ-QSUVIHHLSA-N 1 3 326.484 2.956 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423843028 477180157 /nfs/dbraw/zinc/18/01/57/477180157.db2.gz HZCLQGLFYIUAKL-SZVBFZGTSA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)[C@H](C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)[C@@H](C)[NH3+] ZINC000423842919 477180453 /nfs/dbraw/zinc/18/04/53/477180453.db2.gz KPVSKUJEMBMMOD-APWZRJJASA-N 1 3 346.519 2.775 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423852408 477186171 /nfs/dbraw/zinc/18/61/71/477186171.db2.gz RNPDCCMUGMSCKF-GOSISDBHSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423852408 477186177 /nfs/dbraw/zinc/18/61/77/477186177.db2.gz RNPDCCMUGMSCKF-GOSISDBHSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000423855732 477187006 /nfs/dbraw/zinc/18/70/06/477187006.db2.gz YZQVLOSVNCTTKZ-DLBZAZTESA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000423856239 477187957 /nfs/dbraw/zinc/18/79/57/477187957.db2.gz ZILUYPODQSIUPN-BEFAXECRSA-N 1 3 343.446 2.505 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)OC ZINC000453198207 477189600 /nfs/dbraw/zinc/18/96/00/477189600.db2.gz PBQFFQZMLFYLNO-HAGHYFMRSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)OC ZINC000453198207 477189602 /nfs/dbraw/zinc/18/96/02/477189602.db2.gz PBQFFQZMLFYLNO-HAGHYFMRSA-N 1 3 332.488 2.681 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453201500 477189678 /nfs/dbraw/zinc/18/96/78/477189678.db2.gz SCRRJFCKBMJYIU-HBMCJLEFSA-N 1 3 338.499 2.995 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453201500 477189684 /nfs/dbraw/zinc/18/96/84/477189684.db2.gz SCRRJFCKBMJYIU-HBMCJLEFSA-N 1 3 338.499 2.995 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423897816 477205032 /nfs/dbraw/zinc/20/50/32/477205032.db2.gz HQSMWIKBBJYKMU-CEXWTWQISA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423897816 477205038 /nfs/dbraw/zinc/20/50/38/477205038.db2.gz HQSMWIKBBJYKMU-CEXWTWQISA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423899020 477207164 /nfs/dbraw/zinc/20/71/64/477207164.db2.gz ITYROHYWEAXLGL-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)C2(N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423899020 477207171 /nfs/dbraw/zinc/20/71/71/477207171.db2.gz ITYROHYWEAXLGL-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423904055 477209995 /nfs/dbraw/zinc/20/99/95/477209995.db2.gz NULIEEHSWYGLDR-UHOSZYNNSA-N 1 3 333.520 2.759 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423904055 477210004 /nfs/dbraw/zinc/21/00/04/477210004.db2.gz NULIEEHSWYGLDR-UHOSZYNNSA-N 1 3 333.520 2.759 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907627 477211204 /nfs/dbraw/zinc/21/12/04/477211204.db2.gz RMGYBELXJZSBHD-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@H]1CCCCN1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907627 477211210 /nfs/dbraw/zinc/21/12/10/477211210.db2.gz RMGYBELXJZSBHD-ZCNNSNEGSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910074 477214147 /nfs/dbraw/zinc/21/41/47/477214147.db2.gz UOLHKQNZGOOEAC-NEWSRXKRSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910074 477214154 /nfs/dbraw/zinc/21/41/54/477214154.db2.gz UOLHKQNZGOOEAC-NEWSRXKRSA-N 1 3 329.488 2.545 20 0 EFADHO CC[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427484 477214537 /nfs/dbraw/zinc/21/45/37/477214537.db2.gz YVQKJGAKCXAOAG-FUHWJXTLSA-N 1 3 348.487 2.999 20 0 EFADHO CC[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000432427484 477214544 /nfs/dbraw/zinc/21/45/44/477214544.db2.gz YVQKJGAKCXAOAG-FUHWJXTLSA-N 1 3 348.487 2.999 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000371283767 477216706 /nfs/dbraw/zinc/21/67/06/477216706.db2.gz LVWZCIJGUVXWJS-NQIIRXRSSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@@H](NCC[N@@H+]1CCCC1(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000453393145 477221706 /nfs/dbraw/zinc/22/17/06/477221706.db2.gz IEDCHEHATNAPEX-UYAOXDASSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H](NCC[N@H+]1CCCC1(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000453393145 477221710 /nfs/dbraw/zinc/22/17/10/477221710.db2.gz IEDCHEHATNAPEX-UYAOXDASSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000453393142 477221723 /nfs/dbraw/zinc/22/17/23/477221723.db2.gz IEDCHEHATNAPEX-AZUAARDMSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@H](NCC[N@H+]1CCCC1(C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000453393142 477221728 /nfs/dbraw/zinc/22/17/28/477221728.db2.gz IEDCHEHATNAPEX-AZUAARDMSA-N 1 3 345.531 2.912 20 0 EFADHO [NH3+]C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000423935733 477224987 /nfs/dbraw/zinc/22/49/87/477224987.db2.gz AXTIXIDUEADYPD-HKUYNNGSSA-N 1 3 347.478 2.671 20 0 EFADHO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc(CN(C)C)c1 ZINC000423940954 477226728 /nfs/dbraw/zinc/22/67/28/477226728.db2.gz OFFCYBYBNKSXPB-LJQANCHMSA-N 1 3 325.456 2.740 20 0 EFADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000423945025 477227506 /nfs/dbraw/zinc/22/75/06/477227506.db2.gz AMABCESRYSDDTE-NVXWUHKLSA-N 1 3 335.467 2.527 20 0 EFADHO CC(CCN1CCOC[C@@H]1C1CC1)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000411419179 477227422 /nfs/dbraw/zinc/22/74/22/477227422.db2.gz IDLKWJVCQCXDFP-WOJBJXKFSA-N 1 3 336.520 2.624 20 0 EFADHO CC(CCN1CCOC[C@@H]1C1CC1)CC[N@H+]1CCOC[C@@H]1C1CC1 ZINC000411419179 477227430 /nfs/dbraw/zinc/22/74/30/477227430.db2.gz IDLKWJVCQCXDFP-WOJBJXKFSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H]1CN(CCSc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303982 477228541 /nfs/dbraw/zinc/22/85/41/477228541.db2.gz QYPXDAXYORZFBK-IEBWSBKVSA-N 1 3 333.545 2.737 20 0 EFADHO C[C@H]1CN(CCSc2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371303981 477229327 /nfs/dbraw/zinc/22/93/27/477229327.db2.gz QYPXDAXYORZFBK-HKUYNNGSSA-N 1 3 333.545 2.737 20 0 EFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(-c2ncco2)cc1F ZINC000411429987 477232979 /nfs/dbraw/zinc/23/29/79/477232979.db2.gz QQPFQZOAFZSIMP-UHFFFAOYSA-N 1 3 346.450 2.550 20 0 EFADHO CC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1cccc(Cl)c1 ZINC000411442496 477236143 /nfs/dbraw/zinc/23/61/43/477236143.db2.gz GVBKPAVRLDMYJK-QGZVFWFLSA-N 1 3 337.895 2.981 20 0 EFADHO CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366902996 477248623 /nfs/dbraw/zinc/24/86/23/477248623.db2.gz MCWRXSOBQKJHQA-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCCCCn3cccn3)CC2)CC1 ZINC000371351843 477259344 /nfs/dbraw/zinc/25/93/44/477259344.db2.gz VWDUXLPZVAXWEC-UHFFFAOYSA-N 1 3 347.551 2.544 20 0 EFADHO CCOC(=O)CCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371356084 477260063 /nfs/dbraw/zinc/26/00/63/477260063.db2.gz VERIDSWIIJXPQM-UHFFFAOYSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371356084 477260071 /nfs/dbraw/zinc/26/00/71/477260071.db2.gz VERIDSWIIJXPQM-UHFFFAOYSA-N 1 3 330.472 2.928 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000424011032 477260019 /nfs/dbraw/zinc/26/00/19/477260019.db2.gz YKVJPLPOSCXEHE-CRAIPNDOSA-N 1 3 329.488 2.728 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+]C2(Cc3ccccc3)CCCC2)CC1 ZINC000411521222 477263492 /nfs/dbraw/zinc/26/34/92/477263492.db2.gz AWMWQYYQEOAUHQ-UHFFFAOYSA-N 1 3 343.515 2.732 20 0 EFADHO C[C@H](C(=O)NC(C)(C)CC[NH3+])N1CCC(Cc2ccccc2)CC1 ZINC000424047580 477273679 /nfs/dbraw/zinc/27/36/79/477273679.db2.gz OITRXIXLSFNTGG-MRXNPFEDSA-N 1 3 331.504 2.573 20 0 EFADHO CC(C)[C@@H](CC(F)(F)F)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411601688 477289467 /nfs/dbraw/zinc/28/94/67/477289467.db2.gz AXAOWDUQNSBSNX-CQSZACIVSA-N 1 3 337.430 2.542 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000411608288 477291665 /nfs/dbraw/zinc/29/16/65/477291665.db2.gz KUZFCSZAIPDROT-UYAOXDASSA-N 1 3 343.515 2.588 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000411608283 477291771 /nfs/dbraw/zinc/29/17/71/477291771.db2.gz KUZFCSZAIPDROT-AZUAARDMSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC(C)CC1 ZINC000454623200 477297852 /nfs/dbraw/zinc/29/78/52/477297852.db2.gz AEWYCMDVDWUGOT-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO COCC[C@]1(NCc2ccc(C[NH+]3CCCCC3)cc2)CCOC1 ZINC000411641091 477306444 /nfs/dbraw/zinc/30/64/44/477306444.db2.gz LMARHVWNERPETL-FQEVSTJZSA-N 1 3 332.488 2.958 20 0 EFADHO CCC[C@H]1CCC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000448832524 477307207 /nfs/dbraw/zinc/30/72/07/477307207.db2.gz DBHTYRRCDICDGM-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO [NH3+]C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000416789453 477310514 /nfs/dbraw/zinc/31/05/14/477310514.db2.gz SFYAIRGDLKDUIJ-MOPGFXCFSA-N 1 3 344.503 2.640 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416791712 477311952 /nfs/dbraw/zinc/31/19/52/477311952.db2.gz XDKAEYSSOHPBDQ-MSOLQXFVSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000454652133 477311985 /nfs/dbraw/zinc/31/19/85/477311985.db2.gz VXRZFSYJTKGCGZ-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1cc(F)c(CNCC2CC[NH+](CCN(C)C)CC2)c(F)c1 ZINC000424162226 477312723 /nfs/dbraw/zinc/31/27/23/477312723.db2.gz WQLKTJTYNWDVFA-UHFFFAOYSA-N 1 3 325.447 2.636 20 0 EFADHO Cc1cc(NC(=O)C23CCCN2CCC3)ccc1OCC[NH+](C)C ZINC000458193754 477315098 /nfs/dbraw/zinc/31/50/98/477315098.db2.gz DBQQPCWVCWLMBY-UHFFFAOYSA-N 1 3 331.460 2.502 20 0 EFADHO O=C([C@H]1CCCCN1C1CCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000433361664 477322176 /nfs/dbraw/zinc/32/21/76/477322176.db2.gz NFWRXPVTIDWHIW-RBUKOAKNSA-N 1 3 333.520 2.870 20 0 EFADHO COC[C@H](NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCCO1 ZINC000411683548 477327003 /nfs/dbraw/zinc/32/70/03/477327003.db2.gz ZMLYTEWCOCZXGC-PMACEKPBSA-N 1 3 332.488 2.956 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000416830840 477327688 /nfs/dbraw/zinc/32/76/88/477327688.db2.gz APRNAOXOJMHLPX-QAPCUYQASA-N 1 3 334.508 2.668 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000416833110 477328736 /nfs/dbraw/zinc/32/87/36/477328736.db2.gz CFYDLGBDKBJJOV-BPQIPLTHSA-N 1 3 332.492 2.509 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000416836613 477329264 /nfs/dbraw/zinc/32/92/64/477329264.db2.gz GTDZHAWZDDJAPB-QUCCMNQESA-N 1 3 346.519 2.758 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1 ZINC000416836612 477329438 /nfs/dbraw/zinc/32/94/38/477329438.db2.gz GTDZHAWZDDJAPB-ICSRJNTNSA-N 1 3 346.519 2.758 20 0 EFADHO CN1CCO[C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411690695 477329620 /nfs/dbraw/zinc/32/96/20/477329620.db2.gz BJWFZLRNVPHNOL-LEWJYISDSA-N 1 3 343.515 2.577 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1 ZINC000416834415 477329688 /nfs/dbraw/zinc/32/96/88/477329688.db2.gz DHSCOHHIFLJKPQ-SFHVURJKSA-N 1 3 346.519 2.758 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416834927 477330032 /nfs/dbraw/zinc/33/00/32/477330032.db2.gz DYDCQNMJMXEBQT-PKOBYXMFSA-N 1 3 346.519 2.758 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)N(C)C)cc1 ZINC000416844181 477333213 /nfs/dbraw/zinc/33/32/13/477333213.db2.gz PRAJOVRISFZUQU-LZQZEXGQSA-N 1 3 346.519 2.621 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000434356928 477333367 /nfs/dbraw/zinc/33/33/67/477333367.db2.gz ZWNBIXONTMZYIW-MOPGFXCFSA-N 1 3 348.535 2.663 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000416845183 477333974 /nfs/dbraw/zinc/33/39/74/477333974.db2.gz RFIKLJGFNPHQMX-DNVCBOLYSA-N 1 3 346.519 2.621 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000416847654 477335264 /nfs/dbraw/zinc/33/52/64/477335264.db2.gz VPCAMTQQZMSYJD-QGZVFWFLSA-N 1 3 334.508 2.696 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000416849281 477336455 /nfs/dbraw/zinc/33/64/55/477336455.db2.gz XTYPNNXTQHHKLH-HUUCEWRRSA-N 1 3 338.521 2.558 20 0 EFADHO CC1CCN([C@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000416858317 477339912 /nfs/dbraw/zinc/33/99/12/477339912.db2.gz YXFXIPYWFMIUEA-OAHLLOKOSA-N 1 3 338.521 2.559 20 0 EFADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000435622527 477348612 /nfs/dbraw/zinc/34/86/12/477348612.db2.gz RRKOPDXTXZXBAK-CYBMUJFWSA-N 1 3 327.831 2.882 20 0 EFADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424284675 477355580 /nfs/dbraw/zinc/35/55/80/477355580.db2.gz DNUXDORDVUWJOJ-CABCVRRESA-N 1 3 349.906 2.981 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424294352 477360721 /nfs/dbraw/zinc/36/07/21/477360721.db2.gz QATRQFDBIHCBLS-IAGOWNOFSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1Cl ZINC000424300539 477362140 /nfs/dbraw/zinc/36/21/40/477362140.db2.gz WPLQJMRAEZVPNF-CABCVRRESA-N 1 3 349.906 2.981 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](CN)c2ccc(F)cc2)C1 ZINC000424305288 477365472 /nfs/dbraw/zinc/36/54/72/477365472.db2.gz RZVKASOPBMLFLB-SJLPKXTDSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(F)cc2)C1 ZINC000424305288 477365478 /nfs/dbraw/zinc/36/54/78/477365478.db2.gz RZVKASOPBMLFLB-SJLPKXTDSA-N 1 3 330.451 2.964 20 0 EFADHO CCc1nccn1[C@@H]1CCCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424305288 477365483 /nfs/dbraw/zinc/36/54/83/477365483.db2.gz RZVKASOPBMLFLB-SJLPKXTDSA-N 1 3 330.451 2.964 20 0 EFADHO CCN(Cc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1)C1CC1 ZINC000435753302 477365674 /nfs/dbraw/zinc/36/56/74/477365674.db2.gz QIYWBYMDMCPQQQ-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)N(C)C ZINC000458363578 477371798 /nfs/dbraw/zinc/37/17/98/477371798.db2.gz DKDNBQJDISWUTC-IRXDYDNUSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000458377555 477378661 /nfs/dbraw/zinc/37/86/61/477378661.db2.gz LQLAUXWLTPHPEX-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]1CC2(CN1Cc1ccnn1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424375759 477382783 /nfs/dbraw/zinc/38/27/83/477382783.db2.gz JZYQUUCQZUDRBP-OAHLLOKOSA-N 1 3 328.435 2.975 20 0 EFADHO CC(C)N1CCc2nc(CN3CC4(C[C@@H]3C)CC[NH2+]CC4)sc2C1 ZINC000424382880 477384368 /nfs/dbraw/zinc/38/43/68/477384368.db2.gz TVMSFORDBHPPJM-HNNXBMFYSA-N 1 3 348.560 2.874 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424382447 477384673 /nfs/dbraw/zinc/38/46/73/477384673.db2.gz SHCZNEPWBJTKSI-AWEZNQCLSA-N 1 3 334.460 2.676 20 0 EFADHO COc1cc2c(c(CN3CC4(C[C@H]3C)CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000424388570 477387389 /nfs/dbraw/zinc/38/73/89/477387389.db2.gz ZCVSZVJMWVUMDZ-HUUCEWRRSA-N 1 3 330.472 2.983 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccsc1 ZINC000435905657 477390228 /nfs/dbraw/zinc/39/02/28/477390228.db2.gz GMWWQMGVWMJGTH-SOLBZPMBSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201100 477390758 /nfs/dbraw/zinc/39/07/58/477390758.db2.gz RFYNBQPVPYLRPC-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449027731 477397462 /nfs/dbraw/zinc/39/74/62/477397462.db2.gz MJEGUQANGNUNRY-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000458422841 477409009 /nfs/dbraw/zinc/40/90/09/477409009.db2.gz IYFHSPKDIBWYLB-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCCCN1C1CC1 ZINC000454869617 477411493 /nfs/dbraw/zinc/41/14/93/477411493.db2.gz WOINZLZBCPYNID-SFHVURJKSA-N 1 3 336.524 2.569 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cccc2ccccc21 ZINC000436052255 477412796 /nfs/dbraw/zinc/41/27/96/477412796.db2.gz NRPURKDJAQTBOG-GOSISDBHSA-N 1 3 325.456 2.659 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376577888 477413413 /nfs/dbraw/zinc/41/34/13/477413413.db2.gz GBVQSJOAPSPGRP-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000376577888 477413416 /nfs/dbraw/zinc/41/34/16/477413416.db2.gz GBVQSJOAPSPGRP-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccsc1 ZINC000417002761 477417486 /nfs/dbraw/zinc/41/74/86/477417486.db2.gz GPDBRMUFJPETIE-INIZCTEOSA-N 1 3 338.521 2.524 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCNC(C)(C)C1)c1ccsc1 ZINC000417010980 477420951 /nfs/dbraw/zinc/42/09/51/477420951.db2.gz QWYUFFJURIPPCD-OAHLLOKOSA-N 1 3 338.521 2.524 20 0 EFADHO C[N@H+](CCCNC(=O)NCc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000417013386 477422354 /nfs/dbraw/zinc/42/23/54/477422354.db2.gz BZJWYDSGNGBFIX-UHFFFAOYSA-N 1 3 344.503 2.744 20 0 EFADHO C[N@@H+](CCCNC(=O)NCc1ccc2c(c1)CNC2)C1CCCCC1 ZINC000417013386 477422360 /nfs/dbraw/zinc/42/23/60/477422360.db2.gz BZJWYDSGNGBFIX-UHFFFAOYSA-N 1 3 344.503 2.744 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccsc1 ZINC000417012125 477422469 /nfs/dbraw/zinc/42/24/69/477422469.db2.gz VTZUBAUCOARLPS-IJEWVQPXSA-N 1 3 338.521 2.523 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CCN[C@H](C)[C@@H]1C)c1ccsc1 ZINC000417012125 477422477 /nfs/dbraw/zinc/42/24/77/477422477.db2.gz VTZUBAUCOARLPS-IJEWVQPXSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)c1ccsc1 ZINC000417012125 477422482 /nfs/dbraw/zinc/42/24/82/477422482.db2.gz VTZUBAUCOARLPS-IJEWVQPXSA-N 1 3 338.521 2.523 20 0 EFADHO CCO[C@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C12CCCC2 ZINC000367279500 477428174 /nfs/dbraw/zinc/42/81/74/477428174.db2.gz WUYIXGGHGWULOW-MOPGFXCFSA-N 1 3 347.503 2.849 20 0 EFADHO CC[C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N1CCc2ccccc2C1 ZINC000417026354 477430008 /nfs/dbraw/zinc/43/00/08/477430008.db2.gz ZATQTGXUPNYBKL-LPHOPBHVSA-N 1 3 346.519 2.640 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092343 477434999 /nfs/dbraw/zinc/43/49/99/477434999.db2.gz LNCRHLVLPPIMLY-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092343 477435001 /nfs/dbraw/zinc/43/50/01/477435001.db2.gz LNCRHLVLPPIMLY-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449092343 477435005 /nfs/dbraw/zinc/43/50/05/477435005.db2.gz LNCRHLVLPPIMLY-HOTGVXAUSA-N 1 3 338.517 2.515 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000367293773 477435377 /nfs/dbraw/zinc/43/53/77/477435377.db2.gz FBQWDPLRHRBZJI-GUDVDZBRSA-N 1 3 347.503 2.707 20 0 EFADHO [NH3+]C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000417041017 477437522 /nfs/dbraw/zinc/43/75/22/477437522.db2.gz WBWMISOYHXOPMW-RBUKOAKNSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2)C(C)C ZINC000458496160 477451106 /nfs/dbraw/zinc/45/11/06/477451106.db2.gz JHWWGWUILAGTSQ-LJQANCHMSA-N 1 3 338.540 2.623 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H](c3cccnc3)C3CCC3)C2)CC1 ZINC000376669142 477452445 /nfs/dbraw/zinc/45/24/45/477452445.db2.gz BITGWNSTAOMDBE-ICSRJNTNSA-N 1 3 328.504 2.681 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+](C)C ZINC000458508328 477456707 /nfs/dbraw/zinc/45/67/07/477456707.db2.gz OVFPIQINPLUPIW-AEFFLSMTSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3([S@](C)=O)CCC3)CC2)C1 ZINC000436298502 477457831 /nfs/dbraw/zinc/45/78/31/477457831.db2.gz ZYFHLUBKORNKBF-ZWWNWMABSA-N 1 3 326.550 2.920 20 0 EFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](O)[C@H]2CCOC2)CC1 ZINC000449155330 477461894 /nfs/dbraw/zinc/46/18/94/477461894.db2.gz BEGZUDCWENASPS-DOTOQJQBSA-N 1 3 326.525 2.653 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000418355099 477472032 /nfs/dbraw/zinc/47/20/32/477472032.db2.gz OZAFXAPEBVLIQN-ZWKOTPCHSA-N 1 3 334.508 2.825 20 0 EFADHO CCn1nnc(C)c1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000449179707 477473068 /nfs/dbraw/zinc/47/30/68/477473068.db2.gz WMFJGUSAHYYVFP-YJBOKZPZSA-N 1 3 327.476 2.749 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418551206 477477823 /nfs/dbraw/zinc/47/78/23/477477823.db2.gz IGPNYMZNNRSYFY-UHFFFAOYSA-N 1 3 344.503 2.697 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418603071 477480044 /nfs/dbraw/zinc/48/00/44/477480044.db2.gz OLFVXDPMAVKZDW-AOIWGVFYSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@H](O)Cc1ccccc1 ZINC000436469614 477485782 /nfs/dbraw/zinc/48/57/82/477485782.db2.gz CUDXZXNHGSZWND-OXJNMPFZSA-N 1 3 325.456 2.632 20 0 EFADHO COc1cc2nccc(NC3CC[NH+](CC4CC4)CC3)c2cc1OC ZINC000413061999 477493841 /nfs/dbraw/zinc/49/38/41/477493841.db2.gz AOVGJXHGRILBHM-UHFFFAOYSA-N 1 3 341.455 2.960 20 0 EFADHO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000449224337 477493902 /nfs/dbraw/zinc/49/39/02/477493902.db2.gz LLGQUUAHEUVVHB-GPMSIDNRSA-N 1 3 331.504 2.892 20 0 EFADHO CC[NH+](CC)CCCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449221843 477494336 /nfs/dbraw/zinc/49/43/36/477494336.db2.gz UOCRVQCEAXTMGP-OAHLLOKOSA-N 1 3 326.506 2.515 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449221843 477494339 /nfs/dbraw/zinc/49/43/39/477494339.db2.gz UOCRVQCEAXTMGP-OAHLLOKOSA-N 1 3 326.506 2.515 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)NC(C)(C)CN(C)C)CC2)CC1 ZINC000458589782 477496868 /nfs/dbraw/zinc/49/68/68/477496868.db2.gz YWGJHDNQSZDLBO-UHFFFAOYSA-N 1 3 338.540 2.669 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNc2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413076436 477502184 /nfs/dbraw/zinc/50/21/84/477502184.db2.gz SWDSGCBSTYBQGI-CQSZACIVSA-N 1 3 329.444 2.818 20 0 EFADHO CCC[N@H+]1CC[C@H](CNc2ccnc3cc(OC)c(OC)cc32)C1 ZINC000413076436 477502187 /nfs/dbraw/zinc/50/21/87/477502187.db2.gz SWDSGCBSTYBQGI-CQSZACIVSA-N 1 3 329.444 2.818 20 0 EFADHO COc1cc2ccccc2cc1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449302698 477534053 /nfs/dbraw/zinc/53/40/53/477534053.db2.gz KHDWYLCECQYKJK-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO COc1cc2nccc(N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000413182434 477558067 /nfs/dbraw/zinc/55/80/67/477558067.db2.gz GNJJDHHUVKTCCA-STQMWFEESA-N 1 3 327.428 2.711 20 0 EFADHO COc1cc2nccc(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000413182434 477558070 /nfs/dbraw/zinc/55/80/70/477558070.db2.gz GNJJDHHUVKTCCA-STQMWFEESA-N 1 3 327.428 2.711 20 0 EFADHO COc1cc2nccc(N[C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)c2cc1OC ZINC000413182431 477558266 /nfs/dbraw/zinc/55/82/66/477558266.db2.gz GNJJDHHUVKTCCA-CHWSQXEVSA-N 1 3 327.428 2.711 20 0 EFADHO COc1cc2nccc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)c2cc1OC ZINC000413182431 477558273 /nfs/dbraw/zinc/55/82/73/477558273.db2.gz GNJJDHHUVKTCCA-CHWSQXEVSA-N 1 3 327.428 2.711 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)[C@@H](O)CC ZINC000449641076 477569539 /nfs/dbraw/zinc/56/95/39/477569539.db2.gz UJNAGMLCDNOKDD-QUCCMNQESA-N 1 3 333.520 2.856 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@H](C)C1 ZINC000449657930 477570829 /nfs/dbraw/zinc/57/08/29/477570829.db2.gz RJZVNCGPBIXIPP-WKULXVSPSA-N 1 3 334.508 2.700 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)[C@H](C)C1 ZINC000449657930 477570840 /nfs/dbraw/zinc/57/08/40/477570840.db2.gz RJZVNCGPBIXIPP-WKULXVSPSA-N 1 3 334.508 2.700 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001448 477593454 /nfs/dbraw/zinc/59/34/54/477593454.db2.gz DBJRSHRHQUBRRP-QGZVKYPTSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001448 477593459 /nfs/dbraw/zinc/59/34/59/477593459.db2.gz DBJRSHRHQUBRRP-QGZVKYPTSA-N 1 3 341.499 2.592 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000458782075 477594437 /nfs/dbraw/zinc/59/44/37/477594437.db2.gz WMYXVYUTOUKKSH-ZCRFILTFSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000458782075 477594445 /nfs/dbraw/zinc/59/44/45/477594445.db2.gz WMYXVYUTOUKKSH-ZCRFILTFSA-N 1 3 348.491 2.633 20 0 EFADHO CN(CCc1ccc(F)c(F)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367622445 477607412 /nfs/dbraw/zinc/60/74/12/477607412.db2.gz HQEKWOYDUISPAI-QGZVFWFLSA-N 1 3 337.458 2.608 20 0 EFADHO CN(CCc1ccc(F)c(F)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367622445 477607421 /nfs/dbraw/zinc/60/74/21/477607421.db2.gz HQEKWOYDUISPAI-QGZVFWFLSA-N 1 3 337.458 2.608 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000458926640 477660828 /nfs/dbraw/zinc/66/08/28/477660828.db2.gz CMQFLXWWDYQIHL-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCC1 ZINC000437088080 477668666 /nfs/dbraw/zinc/66/86/66/477668666.db2.gz PWPGEPREQYTGHM-HSALFYBXSA-N 1 3 327.516 2.971 20 0 EFADHO CN(C)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCC1 ZINC000437088082 477669554 /nfs/dbraw/zinc/66/95/54/477669554.db2.gz PWPGEPREQYTGHM-SLFFLAALSA-N 1 3 327.516 2.971 20 0 EFADHO COC(=O)c1cc2cc(CN3CCC(OCCC[NH3+])CC3)ccc2o1 ZINC000420297998 477671739 /nfs/dbraw/zinc/67/17/39/477671739.db2.gz ZLQRHVBELUPCMB-UHFFFAOYSA-N 1 3 346.427 2.549 20 0 EFADHO CC(C)[N@@H+](Cc1cccc(F)c1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301630 477673887 /nfs/dbraw/zinc/67/38/87/477673887.db2.gz IQDDIYHPSQOTJV-PMACEKPBSA-N 1 3 330.447 2.967 20 0 EFADHO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420301630 477673896 /nfs/dbraw/zinc/67/38/96/477673896.db2.gz IQDDIYHPSQOTJV-PMACEKPBSA-N 1 3 330.447 2.967 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000420311449 477681397 /nfs/dbraw/zinc/68/13/97/477681397.db2.gz VYLFTARQVSGJSM-HXUWFJFHSA-N 1 3 345.531 2.935 20 0 EFADHO Cc1cnn(CC[N@@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)c1 ZINC000420310139 477682161 /nfs/dbraw/zinc/68/21/61/477682161.db2.gz MGBREBPLRHHZTK-UXHICEINSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CC[N@H+]2CCCC[C@H]2[C@@H](CN)Cc2ccccc2)c1 ZINC000420310139 477682165 /nfs/dbraw/zinc/68/21/65/477682165.db2.gz MGBREBPLRHHZTK-UXHICEINSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CCN2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000420310139 477682171 /nfs/dbraw/zinc/68/21/71/477682171.db2.gz MGBREBPLRHHZTK-UXHICEINSA-N 1 3 326.488 2.864 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000420313322 477683235 /nfs/dbraw/zinc/68/32/35/477683235.db2.gz IXCBUHUVDKMJNU-MSOLQXFVSA-N 1 3 342.487 2.834 20 0 EFADHO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000420313322 477683237 /nfs/dbraw/zinc/68/32/37/477683237.db2.gz IXCBUHUVDKMJNU-MSOLQXFVSA-N 1 3 342.487 2.834 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN(c2ccccc2)C1 ZINC000377194637 477686808 /nfs/dbraw/zinc/68/68/08/477686808.db2.gz BKJFGHPFOCSYJW-IEBWSBKVSA-N 1 3 343.519 2.501 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320707 477690873 /nfs/dbraw/zinc/69/08/73/477690873.db2.gz BPJUTJOQUFZMOK-CMKODMSKSA-N 1 3 343.515 2.663 20 0 EFADHO COc1cccc([C@@H](C)N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420321680 477690920 /nfs/dbraw/zinc/69/09/20/477690920.db2.gz RLWQITAZAIYAIH-MSOLQXFVSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420323584 477691562 /nfs/dbraw/zinc/69/15/62/477691562.db2.gz GDZUJOSALXDUJE-VQTJNVASSA-N 1 3 343.515 2.894 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCN(C)CC23CCCCC3)cc1 ZINC000420323062 477692468 /nfs/dbraw/zinc/69/24/68/477692468.db2.gz TVLSGNALYAQDPO-GOSISDBHSA-N 1 3 331.504 2.688 20 0 EFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420323660 477692512 /nfs/dbraw/zinc/69/25/12/477692512.db2.gz GPPAPEPCSGNTEZ-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1cc(C)cc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420323663 477693091 /nfs/dbraw/zinc/69/30/91/477693091.db2.gz GPPAPEPCSGNTEZ-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO Cc1cc(C)cc(OCCCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326071 477693520 /nfs/dbraw/zinc/69/35/20/477693520.db2.gz JENJLQANNIGTOE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420326071 477693529 /nfs/dbraw/zinc/69/35/29/477693529.db2.gz JENJLQANNIGTOE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cc(C)cc(OCCC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c1 ZINC000420326071 477693534 /nfs/dbraw/zinc/69/35/34/477693534.db2.gz JENJLQANNIGTOE-GOSISDBHSA-N 1 3 332.488 2.760 20 0 EFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327498 477696526 /nfs/dbraw/zinc/69/65/26/477696526.db2.gz LJVUSZSBVUGYCC-CGTJXYLNSA-N 1 3 329.488 2.898 20 0 EFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420327502 477696613 /nfs/dbraw/zinc/69/66/13/477696613.db2.gz LJVUSZSBVUGYCC-RYQLBKOJSA-N 1 3 329.488 2.898 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326373 477697429 /nfs/dbraw/zinc/69/74/29/477697429.db2.gz XLVVNNDZWVWJHF-PKOBYXMFSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326373 477697435 /nfs/dbraw/zinc/69/74/35/477697435.db2.gz XLVVNNDZWVWJHF-PKOBYXMFSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326373 477697439 /nfs/dbraw/zinc/69/74/39/477697439.db2.gz XLVVNNDZWVWJHF-PKOBYXMFSA-N 1 3 342.487 2.925 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420329484 477697864 /nfs/dbraw/zinc/69/78/64/477697864.db2.gz OJWHRVNRNOAIAU-ROUUACIJSA-N 1 3 341.499 2.504 20 0 EFADHO Fc1ccc(-n2ccc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c(F)c1 ZINC000420329071 477699231 /nfs/dbraw/zinc/69/92/31/477699231.db2.gz GAVOVPUQDCJGSG-OKILXGFUSA-N 1 3 332.398 2.582 20 0 EFADHO CC1CCC(N(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C2CC2)CC1 ZINC000420330536 477700090 /nfs/dbraw/zinc/70/00/90/477700090.db2.gz QBERPYFHEGSHBQ-IAFLDTSXSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(C)c(NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420330300 477700750 /nfs/dbraw/zinc/70/07/50/477700750.db2.gz HSJLSSOFTNDQBY-KURKYZTESA-N 1 3 329.488 2.870 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1CN ZINC000420330335 477700972 /nfs/dbraw/zinc/70/09/72/477700972.db2.gz HWMMFGFDBRJZQE-GXTWGEPZSA-N 1 3 339.867 2.736 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1CN ZINC000420330335 477700974 /nfs/dbraw/zinc/70/09/74/477700974.db2.gz HWMMFGFDBRJZQE-GXTWGEPZSA-N 1 3 339.867 2.736 20 0 EFADHO CS[C@@H]1C[N@H+](C[C@H]2CCCCN2C(C)C)C[C@H]1N1CCCC1 ZINC000450741774 477701179 /nfs/dbraw/zinc/70/11/79/477701179.db2.gz YDOIAAJXIWRSLT-KZNAEPCWSA-N 1 3 325.566 2.761 20 0 EFADHO CS[C@@H]1C[N@@H+](C[C@H]2CCCCN2C(C)C)C[C@H]1N1CCCC1 ZINC000450741774 477701183 /nfs/dbraw/zinc/70/11/83/477701183.db2.gz YDOIAAJXIWRSLT-KZNAEPCWSA-N 1 3 325.566 2.761 20 0 EFADHO [NH3+]C[C@@H]1CN(CCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420331604 477701917 /nfs/dbraw/zinc/70/19/17/477701917.db2.gz RASANTHTUQYXJK-LJQANCHMSA-N 1 3 340.467 2.906 20 0 EFADHO [NH3+]C[C@@H]1CN(CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333857 477703701 /nfs/dbraw/zinc/70/37/01/477703701.db2.gz TVQMPKQRZWCFMO-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@@H]1C[N@H+](CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333857 477703705 /nfs/dbraw/zinc/70/37/05/477703705.db2.gz TVQMPKQRZWCFMO-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO NC[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CC12CCOCC2 ZINC000420333857 477703712 /nfs/dbraw/zinc/70/37/12/477703712.db2.gz TVQMPKQRZWCFMO-OAHLLOKOSA-N 1 3 338.879 2.796 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420334425 477704990 /nfs/dbraw/zinc/70/49/90/477704990.db2.gz GIGDDJASQZZGPV-JTDSTZFVSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335884 477706589 /nfs/dbraw/zinc/70/65/89/477706589.db2.gz HZMORMNCRVFAFY-OIISXLGYSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338313 477707656 /nfs/dbraw/zinc/70/76/56/477707656.db2.gz XTLCTLZFRNIOMH-QGZVFWFLSA-N 1 3 325.456 2.731 20 0 EFADHO Cc1cc(C[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338313 477707660 /nfs/dbraw/zinc/70/76/60/477707660.db2.gz XTLCTLZFRNIOMH-QGZVFWFLSA-N 1 3 325.456 2.731 20 0 EFADHO Cc1cc(C[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)c2ccccc2n1 ZINC000420338313 477707666 /nfs/dbraw/zinc/70/76/66/477707666.db2.gz XTLCTLZFRNIOMH-QGZVFWFLSA-N 1 3 325.456 2.731 20 0 EFADHO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338991 477708106 /nfs/dbraw/zinc/70/81/06/477708106.db2.gz LGASBRXDMUOPEM-KFWWJZLASA-N 1 3 335.879 2.989 20 0 EFADHO CCC[C@H](NC(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340119 477709848 /nfs/dbraw/zinc/70/98/48/477709848.db2.gz MQOISOIZFVDWQX-ZCNNSNEGSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000426446449 477710309 /nfs/dbraw/zinc/71/03/09/477710309.db2.gz XYSKQSNQFGNWHV-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000426446449 477710316 /nfs/dbraw/zinc/71/03/16/477710316.db2.gz XYSKQSNQFGNWHV-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO CCN(C(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344445 477711427 /nfs/dbraw/zinc/71/14/27/477711427.db2.gz SYCMIIWXZVWLSF-RCCFBDPRSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341012 477711639 /nfs/dbraw/zinc/71/16/39/477711639.db2.gz PQFXIRBHIKQENW-NXOAAHMSSA-N 1 3 347.528 2.732 20 0 EFADHO Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340680 477711835 /nfs/dbraw/zinc/71/18/35/477711835.db2.gz NFKVMDSBIBWBOW-ARFHVFGLSA-N 1 3 333.451 2.783 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)c1 ZINC000420345119 477712829 /nfs/dbraw/zinc/71/28/29/477712829.db2.gz VHWCHMOWNFDVHI-SOLBZPMBSA-N 1 3 345.462 2.561 20 0 EFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345734 477712992 /nfs/dbraw/zinc/71/29/92/477712992.db2.gz WNMKMFMKJQAORG-KFWWJZLASA-N 1 3 335.879 2.989 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420347056 477716192 /nfs/dbraw/zinc/71/61/92/477716192.db2.gz ZWYGFWCJRZNSOZ-UFYCRDLUSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347386 477716294 /nfs/dbraw/zinc/71/62/94/477716294.db2.gz YKYKKOUZBFEEGJ-SOUVJXGZSA-N 1 3 335.879 2.907 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1cccc(Br)c1 ZINC000420365908 477724371 /nfs/dbraw/zinc/72/43/71/477724371.db2.gz QMWRJEBZLUTMNO-AWEZNQCLSA-N 1 3 327.266 2.806 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420374247 477730954 /nfs/dbraw/zinc/73/09/54/477730954.db2.gz HGLYQOYZGQXIFJ-ICSRJNTNSA-N 1 3 332.488 2.901 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2Cl)CC1 ZINC000420376953 477732330 /nfs/dbraw/zinc/73/23/30/477732330.db2.gz KHTPVIYZKHIJRN-AEFFLSMTSA-N 1 3 338.879 2.937 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000420378638 477734913 /nfs/dbraw/zinc/73/49/13/477734913.db2.gz MLECRIJULKAFQG-VQTJNVASSA-N 1 3 348.487 2.682 20 0 EFADHO CCOC(=O)[C@@]1(C(C)C)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420378801 477735129 /nfs/dbraw/zinc/73/51/29/477735129.db2.gz UPPGMOITHQUXDO-XLIONFOSSA-N 1 3 348.487 2.649 20 0 EFADHO NC[C@H]1C[N@H+](CCCCOc2ccccc2C(F)(F)F)CCCO1 ZINC000420395977 477745536 /nfs/dbraw/zinc/74/55/36/477745536.db2.gz UYNUMWLLONNNEY-AWEZNQCLSA-N 1 3 346.393 2.914 20 0 EFADHO NC[C@H]1C[N@@H+](CCCCOc2ccccc2C(F)(F)F)CCCO1 ZINC000420395977 477745543 /nfs/dbraw/zinc/74/55/43/477745543.db2.gz UYNUMWLLONNNEY-AWEZNQCLSA-N 1 3 346.393 2.914 20 0 EFADHO C[C@H]1CCN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C[NH3+] ZINC000420395559 477745686 /nfs/dbraw/zinc/74/56/86/477745686.db2.gz DNGPDAHSPOHCQU-JSGCOSHPSA-N 1 3 334.851 2.849 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791192 477755338 /nfs/dbraw/zinc/75/53/38/477755338.db2.gz YSNFPBUYFUZIIV-GPMSIDNRSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791192 477755343 /nfs/dbraw/zinc/75/53/43/477755343.db2.gz YSNFPBUYFUZIIV-GPMSIDNRSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800536 477757439 /nfs/dbraw/zinc/75/74/39/477757439.db2.gz MYSMOSTVSUGAHB-YJBOKZPZSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800536 477757446 /nfs/dbraw/zinc/75/74/46/477757446.db2.gz MYSMOSTVSUGAHB-YJBOKZPZSA-N 1 3 336.524 2.565 20 0 EFADHO COc1cc2nccc(NC3CCC([NH+](C)C)CC3)c2cc1OC ZINC000420624414 477762822 /nfs/dbraw/zinc/76/28/22/477762822.db2.gz JGICZSPCODGABH-UHFFFAOYSA-N 1 3 329.444 2.959 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455858273 477767975 /nfs/dbraw/zinc/76/79/75/477767975.db2.gz PGPDZRKUAGILKV-GOSISDBHSA-N 1 3 330.476 2.793 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000450973560 477780970 /nfs/dbraw/zinc/78/09/70/477780970.db2.gz UGFDPEMBCIALLP-MOPGFXCFSA-N 1 3 337.552 2.730 20 0 EFADHO C[N@H+](CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC000459203822 477791288 /nfs/dbraw/zinc/79/12/88/477791288.db2.gz UGWFKKIAVSXFNG-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[N@@H+](CCCCNC(=O)N1CCN(CCC(C)(C)C)CC1)C1CC1 ZINC000459203822 477791292 /nfs/dbraw/zinc/79/12/92/477791292.db2.gz UGWFKKIAVSXFNG-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000368464461 477809652 /nfs/dbraw/zinc/80/96/52/477809652.db2.gz FFNMMWLABLZHTQ-AEFFLSMTSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914885 477813608 /nfs/dbraw/zinc/81/36/08/477813608.db2.gz KTOARWUSOJIHLL-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914885 477813614 /nfs/dbraw/zinc/81/36/14/477813614.db2.gz KTOARWUSOJIHLL-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914885 477813620 /nfs/dbraw/zinc/81/36/20/477813620.db2.gz KTOARWUSOJIHLL-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@H]1C ZINC000420914885 477813624 /nfs/dbraw/zinc/81/36/24/477813624.db2.gz KTOARWUSOJIHLL-NQIIRXRSSA-N 1 3 345.531 2.823 20 0 EFADHO CCC[NH+]1CCC(N(C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420916026 477814869 /nfs/dbraw/zinc/81/48/69/477814869.db2.gz NOVUCNIHDYZYDQ-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420916026 477814873 /nfs/dbraw/zinc/81/48/73/477814873.db2.gz NOVUCNIHDYZYDQ-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420916026 477814877 /nfs/dbraw/zinc/81/48/77/477814877.db2.gz NOVUCNIHDYZYDQ-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438348826 477830345 /nfs/dbraw/zinc/83/03/45/477830345.db2.gz UBTIWYFIPBIYCD-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C)[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438348826 477830354 /nfs/dbraw/zinc/83/03/54/477830354.db2.gz UBTIWYFIPBIYCD-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO Cn1cncc1CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459349438 477858470 /nfs/dbraw/zinc/85/84/70/477858470.db2.gz DVBXQCQLBKJYHX-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000459349438 477858478 /nfs/dbraw/zinc/85/84/78/477858478.db2.gz DVBXQCQLBKJYHX-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000459349438 477858486 /nfs/dbraw/zinc/85/84/86/477858486.db2.gz DVBXQCQLBKJYHX-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000459349438 477858492 /nfs/dbraw/zinc/85/84/92/477858492.db2.gz DVBXQCQLBKJYHX-OAQYLSRUSA-N 1 3 338.499 2.951 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000460892557 477868394 /nfs/dbraw/zinc/86/83/94/477868394.db2.gz HQCDKBCHHCBVBC-MSOLQXFVSA-N 1 3 338.540 2.767 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000461017418 477873107 /nfs/dbraw/zinc/87/31/07/477873107.db2.gz SDYRCMMHLYTCKI-OAGGEKHMSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000461017418 477873113 /nfs/dbraw/zinc/87/31/13/477873113.db2.gz SDYRCMMHLYTCKI-OAGGEKHMSA-N 1 3 338.496 2.737 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000461227294 477875769 /nfs/dbraw/zinc/87/57/69/477875769.db2.gz QGIWOOSIGYCTKK-JZXOWHBKSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000461227294 477875777 /nfs/dbraw/zinc/87/57/77/477875777.db2.gz QGIWOOSIGYCTKK-JZXOWHBKSA-N 1 3 334.508 2.706 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000420984704 477877589 /nfs/dbraw/zinc/87/75/89/477877589.db2.gz ULAPDJXNESFHBO-UHFFFAOYSA-N 1 3 337.458 2.957 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461471206 477878854 /nfs/dbraw/zinc/87/88/54/477878854.db2.gz AYWPZOBCRRVHGC-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471206 477878862 /nfs/dbraw/zinc/87/88/62/477878862.db2.gz AYWPZOBCRRVHGC-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO CN(C)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000516020584 477880602 /nfs/dbraw/zinc/88/06/02/477880602.db2.gz OQZKIJSXQIWPSE-IBGZPJMESA-N 1 3 338.455 2.757 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@H](O)COc1cccc2[nH]ccc21)C(C)(C)C ZINC000558504081 477881115 /nfs/dbraw/zinc/88/11/15/477881115.db2.gz ZCKNUPFGAYCETQ-KXBFYZLASA-N 1 3 347.503 2.864 20 0 EFADHO CC[NH+]1CCC(N2CCCN(CCC(=O)c3ccccc3)CC2)CC1 ZINC000420986424 477881770 /nfs/dbraw/zinc/88/17/70/477881770.db2.gz YJKGDLYMASSUHN-UHFFFAOYSA-N 1 3 343.515 2.751 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCC(=O)c3ccccc3)CC2)CC1 ZINC000420986424 477881777 /nfs/dbraw/zinc/88/17/77/477881777.db2.gz YJKGDLYMASSUHN-UHFFFAOYSA-N 1 3 343.515 2.751 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCC(=O)c3ccccc3)CC2)CC1 ZINC000420986424 477881783 /nfs/dbraw/zinc/88/17/83/477881783.db2.gz YJKGDLYMASSUHN-UHFFFAOYSA-N 1 3 343.515 2.751 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000459393936 477884777 /nfs/dbraw/zinc/88/47/77/477884777.db2.gz WJLURBOJCVVKDN-MSOLQXFVSA-N 1 3 331.504 2.733 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@H]2SC)[C@H](C)C1 ZINC000459406882 477892675 /nfs/dbraw/zinc/89/26/75/477892675.db2.gz DCPOPYIJJIHYDT-WKULXVSPSA-N 1 3 344.565 2.622 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[C@H](OCC)[C@H]2SC)[C@H](C)C1 ZINC000459406882 477892683 /nfs/dbraw/zinc/89/26/83/477892683.db2.gz DCPOPYIJJIHYDT-WKULXVSPSA-N 1 3 344.565 2.622 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)C2CC(OC(C)(C)C)C2)CC1 ZINC000421007164 477892920 /nfs/dbraw/zinc/89/29/20/477892920.db2.gz KZECZZZYZOKYNB-UHFFFAOYSA-N 1 3 325.541 2.680 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)C2CC(OC(C)(C)C)C2)CC1 ZINC000421007164 477892928 /nfs/dbraw/zinc/89/29/28/477892928.db2.gz KZECZZZYZOKYNB-UHFFFAOYSA-N 1 3 325.541 2.680 20 0 EFADHO O=C(CC1CCCCC1)NCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459422501 477897855 /nfs/dbraw/zinc/89/78/55/477897855.db2.gz YGXIHUAICLFYRZ-UHFFFAOYSA-N 1 3 344.503 2.727 20 0 EFADHO C[C@]1(CN2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000516181773 477902480 /nfs/dbraw/zinc/90/24/80/477902480.db2.gz VRDPOJYYMUGJPD-PXNSSMCTSA-N 1 3 347.478 2.544 20 0 EFADHO CN(c1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000428476811 477909425 /nfs/dbraw/zinc/90/94/25/477909425.db2.gz YHSDUWNQKRBUFX-NHCUHLMSSA-N 1 3 345.531 2.952 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1O)C1CCN(C)CC1 ZINC000428476811 477909434 /nfs/dbraw/zinc/90/94/34/477909434.db2.gz YHSDUWNQKRBUFX-NHCUHLMSSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@H]1CCN(C(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000558674124 477914603 /nfs/dbraw/zinc/91/46/03/477914603.db2.gz FXFCKJRGUGWEIO-SFHVURJKSA-N 1 3 331.504 2.841 20 0 EFADHO CC[NH+]1C[C@H](C)N(CCCN2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000459463546 477918071 /nfs/dbraw/zinc/91/80/71/477918071.db2.gz NPZYCQJNTYDVTJ-PMACEKPBSA-N 1 3 344.547 2.613 20 0 EFADHO CC(C)(C)OC(=O)NCC1CC[NH+](CCCN2CCCC2)CC1 ZINC000494113774 477924641 /nfs/dbraw/zinc/92/46/41/477924641.db2.gz RFXRDDWCGSABCX-UHFFFAOYSA-N 1 3 325.497 2.709 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H]1CCC[N@@H+]1C ZINC000494148987 477932983 /nfs/dbraw/zinc/93/29/83/477932983.db2.gz UPZMJBCPPZSCOF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1CC[C@@H]1CCC[N@H+]1C ZINC000494148987 477932990 /nfs/dbraw/zinc/93/29/90/477932990.db2.gz UPZMJBCPPZSCOF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO COCCC[NH+]1CCC(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532492482 477934687 /nfs/dbraw/zinc/93/46/87/477934687.db2.gz BFCDAAMYDKWIKR-HNNXBMFYSA-N 1 3 345.487 2.723 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(CC)c2C)[C@@H](C)C1 ZINC000532497116 477936956 /nfs/dbraw/zinc/93/69/56/477936956.db2.gz RQPMFRUJXIKDJA-HNAYVOBHSA-N 1 3 336.524 2.746 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532520612 477939901 /nfs/dbraw/zinc/93/99/01/477939901.db2.gz HMUASUDNUKLPAN-HKUYNNGSSA-N 1 3 345.535 2.936 20 0 EFADHO CCN(Cc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)C1CC1 ZINC000428619584 477943722 /nfs/dbraw/zinc/94/37/22/477943722.db2.gz IVSOGXGFQBCOLA-JWTNVVGKSA-N 1 3 327.472 2.684 20 0 EFADHO CNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532251 477956437 /nfs/dbraw/zinc/95/64/37/477956437.db2.gz WIDAUJYCTDSMOA-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CNC(=O)C[N@H+]1CCCCC[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC000459532251 477956444 /nfs/dbraw/zinc/95/64/44/477956444.db2.gz WIDAUJYCTDSMOA-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363612 477970974 /nfs/dbraw/zinc/97/09/74/477970974.db2.gz LAVUROBACGSLRC-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO CCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000494363612 477970977 /nfs/dbraw/zinc/97/09/77/477970977.db2.gz LAVUROBACGSLRC-IRXDYDNUSA-N 1 3 339.524 2.907 20 0 EFADHO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375818 477974376 /nfs/dbraw/zinc/97/43/76/477974376.db2.gz RNMJUNNOSAPISA-FCEWJHQRSA-N 1 3 344.503 2.942 20 0 EFADHO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375818 477974388 /nfs/dbraw/zinc/97/43/88/477974388.db2.gz RNMJUNNOSAPISA-FCEWJHQRSA-N 1 3 344.503 2.942 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000465527160 477977666 /nfs/dbraw/zinc/97/76/66/477977666.db2.gz GXAOTKAXFSTFNG-BZSNNMDCSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C1 ZINC000465527160 477977671 /nfs/dbraw/zinc/97/76/71/477977671.db2.gz GXAOTKAXFSTFNG-BZSNNMDCSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@@H+]1C ZINC000466033880 477999732 /nfs/dbraw/zinc/99/97/32/477999732.db2.gz DEEAPMRZNLLEFN-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@H+]1C ZINC000466033880 477999737 /nfs/dbraw/zinc/99/97/37/477999737.db2.gz DEEAPMRZNLLEFN-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)OC)CC1 ZINC000494522738 478002124 /nfs/dbraw/zinc/00/21/24/478002124.db2.gz LGQZKPZKFLHXDC-RDJZCZTQSA-N 1 3 325.497 2.707 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466036031 478002625 /nfs/dbraw/zinc/00/26/25/478002625.db2.gz DGVMXZZLLQGLAY-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000466036031 478002634 /nfs/dbraw/zinc/00/26/34/478002634.db2.gz DGVMXZZLLQGLAY-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1)C1CC1 ZINC000428899459 478004225 /nfs/dbraw/zinc/00/42/25/478004225.db2.gz XPDYPYJZTASQHW-OAHLLOKOSA-N 1 3 329.488 2.870 20 0 EFADHO Fc1cncc(C[NH2+]CCCCN2CCN(c3ccccc3)CC2)c1 ZINC000494549404 478008751 /nfs/dbraw/zinc/00/87/51/478008751.db2.gz QNLGHEJWRJLKEG-UHFFFAOYSA-N 1 3 342.462 2.913 20 0 EFADHO Cc1cccn2c(=O)cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)nc12 ZINC000532950169 478013078 /nfs/dbraw/zinc/01/30/78/478013078.db2.gz QSKYMFAKMRNDFM-UHFFFAOYSA-N 1 3 342.487 2.555 20 0 EFADHO Cc1cccn2c(=O)cc(CN3CCC(C[N@H+](C)C(C)C)CC3)nc12 ZINC000532950169 478013089 /nfs/dbraw/zinc/01/30/89/478013089.db2.gz QSKYMFAKMRNDFM-UHFFFAOYSA-N 1 3 342.487 2.555 20 0 EFADHO O[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CCc3ccccc3OC2)CC1 ZINC000494590097 478018474 /nfs/dbraw/zinc/01/84/74/478018474.db2.gz CQYVJKWQBVHPNQ-VAMGGRTRSA-N 1 3 344.499 2.738 20 0 EFADHO C[C@@](O)(CNC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964921 478024409 /nfs/dbraw/zinc/02/44/09/478024409.db2.gz CXSKXNNOQZOLNB-GXTWGEPZSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@@](O)(CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000516964921 478024416 /nfs/dbraw/zinc/02/44/16/478024416.db2.gz CXSKXNNOQZOLNB-GXTWGEPZSA-N 1 3 336.423 2.863 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682414 478039077 /nfs/dbraw/zinc/03/90/77/478039077.db2.gz YOFZPCAPWIUYAR-PMACEKPBSA-N 1 3 343.515 2.855 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000494684357 478042797 /nfs/dbraw/zinc/04/27/97/478042797.db2.gz IPVBSWNRGVXYQN-IIDMSEBBSA-N 1 3 335.517 2.779 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)C1 ZINC000421352348 478047544 /nfs/dbraw/zinc/04/75/44/478047544.db2.gz QGMIELMGRUIBKX-MTNOOBJLSA-N 1 3 335.536 2.911 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@H]3CCC[C@@H](C)C3)CC2)CC1=O ZINC000421353382 478047642 /nfs/dbraw/zinc/04/76/42/478047642.db2.gz PKSNMPRSAIOYFS-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)C1 ZINC000421352349 478048181 /nfs/dbraw/zinc/04/81/81/478048181.db2.gz QGMIELMGRUIBKX-YWTNHNAXSA-N 1 3 335.536 2.911 20 0 EFADHO CCCN1C[C@H](C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000421355820 478049409 /nfs/dbraw/zinc/04/94/09/478049409.db2.gz VJWXBRNXIFPNFL-JENIJYKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1C[C@H](CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1=O ZINC000421355820 478049416 /nfs/dbraw/zinc/04/94/16/478049416.db2.gz VJWXBRNXIFPNFL-JENIJYKNSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000494706091 478052130 /nfs/dbraw/zinc/05/21/30/478052130.db2.gz CVHROBFKRCCFKJ-RDJZCZTQSA-N 1 3 335.467 2.671 20 0 EFADHO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361007 478054674 /nfs/dbraw/zinc/05/46/74/478054674.db2.gz KARPOEAAYIWQGK-ROUUACIJSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000421361007 478054684 /nfs/dbraw/zinc/05/46/84/478054684.db2.gz KARPOEAAYIWQGK-ROUUACIJSA-N 1 3 345.531 2.667 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCCc3cnccc3C)CC2)CC1 ZINC000421377828 478064011 /nfs/dbraw/zinc/06/40/11/478064011.db2.gz SCUGJRYNUPGXLO-UHFFFAOYSA-N 1 3 344.547 2.815 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCCc3cnccc3C)CC2)CC1 ZINC000421377828 478064020 /nfs/dbraw/zinc/06/40/20/478064020.db2.gz SCUGJRYNUPGXLO-UHFFFAOYSA-N 1 3 344.547 2.815 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3sccc3OC)CC2)CC1 ZINC000421380349 478064689 /nfs/dbraw/zinc/06/46/89/478064689.db2.gz VJWJYWVSINJTJY-UHFFFAOYSA-N 1 3 337.533 2.749 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3sccc3OC)CC2)CC1 ZINC000421380349 478064694 /nfs/dbraw/zinc/06/46/94/478064694.db2.gz VJWJYWVSINJTJY-UHFFFAOYSA-N 1 3 337.533 2.749 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3sccc3OC)CC2)CC1 ZINC000421380349 478064698 /nfs/dbraw/zinc/06/46/98/478064698.db2.gz VJWJYWVSINJTJY-UHFFFAOYSA-N 1 3 337.533 2.749 20 0 EFADHO C[C@H](NC[C@@H]1CSCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000517229707 478066622 /nfs/dbraw/zinc/06/66/22/478066622.db2.gz IOKXJRNRWVJDBS-QXAKKESOSA-N 1 3 333.545 2.582 20 0 EFADHO CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000533435758 478078831 /nfs/dbraw/zinc/07/88/31/478078831.db2.gz CVRDGWCQLDCOHE-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000440179479 478086829 /nfs/dbraw/zinc/08/68/29/478086829.db2.gz OSWCPVZMEFRELM-RCCFBDPRSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000440179479 478086835 /nfs/dbraw/zinc/08/68/35/478086835.db2.gz OSWCPVZMEFRELM-RCCFBDPRSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000440179478 478087318 /nfs/dbraw/zinc/08/73/18/478087318.db2.gz OSWCPVZMEFRELM-OKZBNKHCSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000440179478 478087321 /nfs/dbraw/zinc/08/73/21/478087321.db2.gz OSWCPVZMEFRELM-OKZBNKHCSA-N 1 3 338.540 2.621 20 0 EFADHO COC(=O)CCCN1CCC(Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000459780488 478088885 /nfs/dbraw/zinc/08/88/85/478088885.db2.gz XQLVABUCBPVVNA-UHFFFAOYSA-N 1 3 347.503 2.886 20 0 EFADHO CC(C)[C@H](CNC(=O)N(CCN(C)C)C(C)C)[NH+]1CCC(C)CC1 ZINC000440212567 478092152 /nfs/dbraw/zinc/09/21/52/478092152.db2.gz GQBNDKQXNPAZDU-SFHVURJKSA-N 1 3 340.556 2.725 20 0 EFADHO CCC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCC1 ZINC000459791061 478093931 /nfs/dbraw/zinc/09/39/31/478093931.db2.gz HFFUBXAHVQJATB-OALUTQOASA-N 1 3 331.504 2.964 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000440235635 478094484 /nfs/dbraw/zinc/09/44/84/478094484.db2.gz DTSDDYXGYZOXRR-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCN(C)C)C(C)C ZINC000440235635 478094493 /nfs/dbraw/zinc/09/44/93/478094493.db2.gz DTSDDYXGYZOXRR-KRWDZBQOSA-N 1 3 326.529 2.623 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000440242264 478095649 /nfs/dbraw/zinc/09/56/49/478095649.db2.gz GUDXALUXUDGPHD-QGZVFWFLSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000440242264 478095657 /nfs/dbraw/zinc/09/56/57/478095657.db2.gz GUDXALUXUDGPHD-QGZVFWFLSA-N 1 3 340.556 2.869 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000440274339 478101027 /nfs/dbraw/zinc/10/10/27/478101027.db2.gz XISMAQOJTDTUFF-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000440274339 478101036 /nfs/dbraw/zinc/10/10/36/478101036.db2.gz XISMAQOJTDTUFF-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000495019533 478106454 /nfs/dbraw/zinc/10/64/54/478106454.db2.gz SIAGOKWFOVQXFR-MSOLQXFVSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000495019533 478106459 /nfs/dbraw/zinc/10/64/59/478106459.db2.gz SIAGOKWFOVQXFR-MSOLQXFVSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000495066274 478116072 /nfs/dbraw/zinc/11/60/72/478116072.db2.gz KDUVBGDTLCWFMW-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000495066274 478116074 /nfs/dbraw/zinc/11/60/74/478116074.db2.gz KDUVBGDTLCWFMW-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000517783681 478123938 /nfs/dbraw/zinc/12/39/38/478123938.db2.gz VEXYMFHVNPKCQA-QGZVFWFLSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000517783681 478123944 /nfs/dbraw/zinc/12/39/44/478123944.db2.gz VEXYMFHVNPKCQA-QGZVFWFLSA-N 1 3 325.447 2.813 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H](C)[C@H]3CCCCN3)CC2)oc1C ZINC000518164825 478146434 /nfs/dbraw/zinc/14/64/34/478146434.db2.gz YZBCPSRRCQELSG-CRAIPNDOSA-N 1 3 334.508 2.624 20 0 EFADHO Cc1nc(CN2CCC(CN[C@H](C)[C@H]3CCCC[NH2+]3)CC2)oc1C ZINC000518164825 478146437 /nfs/dbraw/zinc/14/64/37/478146437.db2.gz YZBCPSRRCQELSG-CRAIPNDOSA-N 1 3 334.508 2.624 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000561046041 478147459 /nfs/dbraw/zinc/14/74/59/478147459.db2.gz RKJIZRLIGGDFBH-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO O=C(Nc1cccc2c1CCNC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000561046041 478147462 /nfs/dbraw/zinc/14/74/62/478147462.db2.gz RKJIZRLIGGDFBH-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000488443589 478148980 /nfs/dbraw/zinc/14/89/80/478148980.db2.gz OVJKXPZODYHQIZ-ROUUACIJSA-N 1 3 349.544 2.598 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCc4ccccc43)CC2)CC1 ZINC000561109733 478153265 /nfs/dbraw/zinc/15/32/65/478153265.db2.gz PEIDCURACOKDKY-UHFFFAOYSA-N 1 3 341.499 2.772 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1C1CC1 ZINC000440769083 478158743 /nfs/dbraw/zinc/15/87/43/478158743.db2.gz DPZMKLVKNGMGMA-CVEARBPZSA-N 1 3 336.524 2.565 20 0 EFADHO COC(=O)CC1(C[N@H+](C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000440798057 478162375 /nfs/dbraw/zinc/16/23/75/478162375.db2.gz ZKOMNMHEFRGRNH-UHFFFAOYSA-N 1 3 331.460 2.573 20 0 EFADHO COC(=O)CC1(C[N@@H+](C)CC2CCN(c3ccncc3)CC2)CC1 ZINC000440798057 478162380 /nfs/dbraw/zinc/16/23/80/478162380.db2.gz ZKOMNMHEFRGRNH-UHFFFAOYSA-N 1 3 331.460 2.573 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CN1CCC(C)(C)C1 ZINC000561257721 478171361 /nfs/dbraw/zinc/17/13/61/478171361.db2.gz WRKOMFLUEPTIDJ-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(N[C@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000518502126 478172521 /nfs/dbraw/zinc/17/25/21/478172521.db2.gz OQIZTBZPTLAEHL-RDJZCZTQSA-N 1 3 341.455 2.627 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000518498133 478172968 /nfs/dbraw/zinc/17/29/68/478172968.db2.gz NAAHPBSHYDDGHG-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2C(=O)N(C)C)CC1 ZINC000518498133 478172979 /nfs/dbraw/zinc/17/29/79/478172979.db2.gz NAAHPBSHYDDGHG-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO O=C(N[C@@H]1CCCN(CC[C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000518502124 478173508 /nfs/dbraw/zinc/17/35/08/478173508.db2.gz OQIZTBZPTLAEHL-DOTOQJQBSA-N 1 3 341.455 2.627 20 0 EFADHO C[C@H]1C[C@@H]([N@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687457 478174064 /nfs/dbraw/zinc/17/40/64/478174064.db2.gz XDSPJZCSWYONDG-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@@H]([N@@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687457 478174069 /nfs/dbraw/zinc/17/40/69/478174069.db2.gz XDSPJZCSWYONDG-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCN2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000429687457 478174072 /nfs/dbraw/zinc/17/40/72/478174072.db2.gz XDSPJZCSWYONDG-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@H]1C[C@@H](N(C)CCN2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000429687457 478174077 /nfs/dbraw/zinc/17/40/77/478174077.db2.gz XDSPJZCSWYONDG-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687456 478174150 /nfs/dbraw/zinc/17/41/50/478174150.db2.gz XDSPJZCSWYONDG-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCCOCC2)CCN1Cc1ccccc1 ZINC000429687456 478174156 /nfs/dbraw/zinc/17/41/56/478174156.db2.gz XDSPJZCSWYONDG-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCN2CCCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000429687456 478174162 /nfs/dbraw/zinc/17/41/62/478174162.db2.gz XDSPJZCSWYONDG-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCN2CCCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000429687456 478174167 /nfs/dbraw/zinc/17/41/67/478174167.db2.gz XDSPJZCSWYONDG-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC(C)C)CC2)c(C)c1 ZINC000518757664 478188368 /nfs/dbraw/zinc/18/83/68/478188368.db2.gz GBOCAHHTNGCBRW-LJQANCHMSA-N 1 3 334.504 2.753 20 0 EFADHO CC[N@@H+]1CCC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495413470 478192835 /nfs/dbraw/zinc/19/28/35/478192835.db2.gz QXTZPAMKFFCODT-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CC[N@H+]1CCC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495413470 478192839 /nfs/dbraw/zinc/19/28/39/478192839.db2.gz QXTZPAMKFFCODT-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000495433895 478196510 /nfs/dbraw/zinc/19/65/10/478196510.db2.gz LEFNJZBTYHHIAF-HUUCEWRRSA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@H]21 ZINC000495433895 478196504 /nfs/dbraw/zinc/19/65/04/478196504.db2.gz LEFNJZBTYHHIAF-HUUCEWRRSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000561626048 478196977 /nfs/dbraw/zinc/19/69/77/478196977.db2.gz PIPUQTKTDGQNQB-OALUTQOASA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000561626048 478196983 /nfs/dbraw/zinc/19/69/83/478196983.db2.gz PIPUQTKTDGQNQB-OALUTQOASA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488908780 478198641 /nfs/dbraw/zinc/19/86/41/478198641.db2.gz KWMPTZGUFSLIHS-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000488908780 478198645 /nfs/dbraw/zinc/19/86/45/478198645.db2.gz KWMPTZGUFSLIHS-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762389 478202788 /nfs/dbraw/zinc/20/27/88/478202788.db2.gz SXJCIKCHHXOFFG-QGZVKYPTSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000561762389 478202791 /nfs/dbraw/zinc/20/27/91/478202791.db2.gz SXJCIKCHHXOFFG-QGZVKYPTSA-N 1 3 347.547 2.972 20 0 EFADHO N[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000519117896 478210373 /nfs/dbraw/zinc/21/03/73/478210373.db2.gz KAJCZANXJRPIMJ-IBGZPJMESA-N 1 3 344.503 2.640 20 0 EFADHO CC1(C)C[C@H](O)CCN(C/C=C/C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808353 478211573 /nfs/dbraw/zinc/21/15/73/478211573.db2.gz JIYMJHKMJSTUAU-PJHKVULZSA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@H](O)CCN(C/C=C/C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808353 478211575 /nfs/dbraw/zinc/21/15/75/478211575.db2.gz JIYMJHKMJSTUAU-PJHKVULZSA-N 1 3 338.536 2.508 20 0 EFADHO CC(CN1CC[C@H](O)CC(C)(C)C1)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812006 478213404 /nfs/dbraw/zinc/21/34/04/478213404.db2.gz PYNHESHNWWBDNM-ROUUACIJSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN1CC[C@H](O)CC(C)(C)C1)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812006 478213407 /nfs/dbraw/zinc/21/34/07/478213407.db2.gz PYNHESHNWWBDNM-ROUUACIJSA-N 1 3 340.552 2.588 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000519347897 478221221 /nfs/dbraw/zinc/22/12/21/478221221.db2.gz DHWMHLJRDZPAFV-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000519603344 478239395 /nfs/dbraw/zinc/23/93/95/478239395.db2.gz CWMCKIDAJBTVJS-HXUWFJFHSA-N 1 3 343.515 2.881 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@H]1CCCN1C ZINC000495611455 478244688 /nfs/dbraw/zinc/24/46/88/478244688.db2.gz LHGQJKUTCVOGEW-BZUAXINKSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@H]1CCCN1C ZINC000495611455 478244690 /nfs/dbraw/zinc/24/46/90/478244690.db2.gz LHGQJKUTCVOGEW-BZUAXINKSA-N 1 3 325.497 2.848 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@H]21 ZINC000495616161 478246321 /nfs/dbraw/zinc/24/63/21/478246321.db2.gz DFQZBIGXOAIITJ-OKZBNKHCSA-N 1 3 329.444 2.606 20 0 EFADHO C[N@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@H]21 ZINC000495616161 478246326 /nfs/dbraw/zinc/24/63/26/478246326.db2.gz DFQZBIGXOAIITJ-OKZBNKHCSA-N 1 3 329.444 2.606 20 0 EFADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@H]21 ZINC000495616161 478246328 /nfs/dbraw/zinc/24/63/28/478246328.db2.gz DFQZBIGXOAIITJ-OKZBNKHCSA-N 1 3 329.444 2.606 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@@H]21 ZINC000495616151 478246401 /nfs/dbraw/zinc/24/64/01/478246401.db2.gz DFQZBIGXOAIITJ-BZSNNMDCSA-N 1 3 329.444 2.606 20 0 EFADHO C[N@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@@H]21 ZINC000495616151 478246403 /nfs/dbraw/zinc/24/64/03/478246403.db2.gz DFQZBIGXOAIITJ-BZSNNMDCSA-N 1 3 329.444 2.606 20 0 EFADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)[C@@H]2CCC[C@@H]21 ZINC000495616151 478246407 /nfs/dbraw/zinc/24/64/07/478246407.db2.gz DFQZBIGXOAIITJ-BZSNNMDCSA-N 1 3 329.444 2.606 20 0 EFADHO CN(CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC000495618246 478246992 /nfs/dbraw/zinc/24/69/92/478246992.db2.gz SMZJLODAZSVPOP-XYPWUTKMSA-N 1 3 325.497 2.800 20 0 EFADHO CN(CCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC000495618246 478246993 /nfs/dbraw/zinc/24/69/93/478246993.db2.gz SMZJLODAZSVPOP-XYPWUTKMSA-N 1 3 325.497 2.800 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCC[NH+](C)C ZINC000519678912 478248435 /nfs/dbraw/zinc/24/84/35/478248435.db2.gz DJBCTQZWFDLASO-PKOBYXMFSA-N 1 3 331.504 2.745 20 0 EFADHO CCCc1cc(N[C@@H](C)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000562467607 478253432 /nfs/dbraw/zinc/25/34/32/478253432.db2.gz PIZCXQZDGXAKSB-INIZCTEOSA-N 1 3 326.488 2.657 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCC[C@H]1C ZINC000520201142 478282243 /nfs/dbraw/zinc/28/22/43/478282243.db2.gz BJQLUZXKSXMBFC-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCC[C@H]1C ZINC000520201142 478282251 /nfs/dbraw/zinc/28/22/51/478282251.db2.gz BJQLUZXKSXMBFC-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426210 478300981 /nfs/dbraw/zinc/30/09/81/478300981.db2.gz NDXBKRBALGOYOX-UTKZUKDTSA-N 1 3 342.531 2.971 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(N2CCN(CC3CC3)CC2)c1 ZINC000537426210 478300992 /nfs/dbraw/zinc/30/09/92/478300992.db2.gz NDXBKRBALGOYOX-UTKZUKDTSA-N 1 3 342.531 2.971 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000490087019 478311639 /nfs/dbraw/zinc/31/16/39/478311639.db2.gz DIGYBSOSVNMLEH-MJGOQNOKSA-N 1 3 343.515 2.773 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000579586620 478332281 /nfs/dbraw/zinc/33/22/81/478332281.db2.gz BLGFRBMKIXNNFT-CRAIPNDOSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000579586620 478332285 /nfs/dbraw/zinc/33/22/85/478332285.db2.gz BLGFRBMKIXNNFT-CRAIPNDOSA-N 1 3 329.488 2.500 20 0 EFADHO FC(F)(F)c1cccnc1OCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000538193026 478349413 /nfs/dbraw/zinc/34/94/13/478349413.db2.gz PUQNCGQADZWBGU-UHFFFAOYSA-N 1 3 343.393 2.943 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N2CCC(C[NH3+])CC2)N2CCCC2)cc1 ZINC000562796998 478352292 /nfs/dbraw/zinc/35/22/92/478352292.db2.gz NRSKXCVBGBPZGK-LJQANCHMSA-N 1 3 344.503 2.512 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000562803272 478354988 /nfs/dbraw/zinc/35/49/88/478354988.db2.gz QAOZJXWSXPKZPI-POAQFYNOSA-N 1 3 344.503 2.511 20 0 EFADHO N[C@H](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1 ZINC000562809228 478356273 /nfs/dbraw/zinc/35/62/73/478356273.db2.gz GDRLCVYCNOBOIA-OALUTQOASA-N 1 3 325.456 2.543 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000562811320 478357206 /nfs/dbraw/zinc/35/72/06/478357206.db2.gz YQFJPOPETLZJHX-OXJNMPFZSA-N 1 3 344.503 2.511 20 0 EFADHO Cn1cncc1CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000521063345 478366260 /nfs/dbraw/zinc/36/62/60/478366260.db2.gz QSLMVMCJAOXCDB-IBGZPJMESA-N 1 3 326.488 2.807 20 0 EFADHO Cn1cncc1CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000521063345 478366268 /nfs/dbraw/zinc/36/62/68/478366268.db2.gz QSLMVMCJAOXCDB-IBGZPJMESA-N 1 3 326.488 2.807 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866429 478373344 /nfs/dbraw/zinc/37/33/44/478373344.db2.gz NUXABFRUMCZJNS-WOCWXWTJSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866429 478373352 /nfs/dbraw/zinc/37/33/52/478373352.db2.gz NUXABFRUMCZJNS-WOCWXWTJSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866429 478373357 /nfs/dbraw/zinc/37/33/57/478373357.db2.gz NUXABFRUMCZJNS-WOCWXWTJSA-N 1 3 349.519 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000495866429 478373363 /nfs/dbraw/zinc/37/33/63/478373363.db2.gz NUXABFRUMCZJNS-WOCWXWTJSA-N 1 3 349.519 2.660 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495887947 478389257 /nfs/dbraw/zinc/38/92/57/478389257.db2.gz VFLANVBCYRTTKL-JYJNAYRXSA-N 1 3 325.497 2.549 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000495887947 478389259 /nfs/dbraw/zinc/38/92/59/478389259.db2.gz VFLANVBCYRTTKL-JYJNAYRXSA-N 1 3 325.497 2.549 20 0 EFADHO C[N@H+](CCCN1CCCC1=O)CCC1CCN(c2ccncc2)CC1 ZINC000538945124 478393703 /nfs/dbraw/zinc/39/37/03/478393703.db2.gz KJWNIOBABLDPCE-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO C[N@@H+](CCCN1CCCC1=O)CCC1CCN(c2ccncc2)CC1 ZINC000538945124 478393710 /nfs/dbraw/zinc/39/37/10/478393710.db2.gz KJWNIOBABLDPCE-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989065 478405164 /nfs/dbraw/zinc/40/51/64/478405164.db2.gz DSRQGXJMALCPAP-KZNAEPCWSA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989065 478405173 /nfs/dbraw/zinc/40/51/73/478405173.db2.gz DSRQGXJMALCPAP-KZNAEPCWSA-N 1 3 340.895 2.680 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000581656233 478411429 /nfs/dbraw/zinc/41/14/29/478411429.db2.gz GJZKORUZKIFFLK-FHWLQOOXSA-N 1 3 344.503 2.640 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000581656234 478412165 /nfs/dbraw/zinc/41/21/65/478412165.db2.gz GJZKORUZKIFFLK-GBESFXJTSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1)N1CCCCC1 ZINC000563014649 478417636 /nfs/dbraw/zinc/41/76/36/478417636.db2.gz ZWFVODAHHVZYGW-WBVHZDCISA-N 1 3 340.895 2.934 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCCN(C)C)cc2)C1(C)C ZINC000539495172 478419507 /nfs/dbraw/zinc/41/95/07/478419507.db2.gz GLMXTWHLIXSMIW-RTBURBONSA-N 1 3 334.504 2.963 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000491086522 478439856 /nfs/dbraw/zinc/43/98/56/478439856.db2.gz UMFDOEBYFKCWDR-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000491086522 478439864 /nfs/dbraw/zinc/43/98/64/478439864.db2.gz UMFDOEBYFKCWDR-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980628 478456260 /nfs/dbraw/zinc/45/62/60/478456260.db2.gz JQYQHJBDHIRKOU-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980628 478456267 /nfs/dbraw/zinc/45/62/67/478456267.db2.gz JQYQHJBDHIRKOU-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980628 478456273 /nfs/dbraw/zinc/45/62/73/478456273.db2.gz JQYQHJBDHIRKOU-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495980628 478456280 /nfs/dbraw/zinc/45/62/80/478456280.db2.gz JQYQHJBDHIRKOU-BRWVUGGUSA-N 1 3 339.524 2.953 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@@H]3CC[NH2+]C3)CC1)O[C@@H](C)C2 ZINC000581884567 478459818 /nfs/dbraw/zinc/45/98/18/478459818.db2.gz OOLLUVBHXFXCRX-GOEBONIOSA-N 1 3 330.472 2.840 20 0 EFADHO CC(C)[NH2+]CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000570868447 478466545 /nfs/dbraw/zinc/46/65/45/478466545.db2.gz QMMIBNMOULPNSO-GOSISDBHSA-N 1 3 331.504 2.574 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN2CCCCC2)c1)[NH+]1CCCC1 ZINC000563189124 478474149 /nfs/dbraw/zinc/47/41/49/478474149.db2.gz VHOOLEZDMUTXFG-KRWDZBQOSA-N 1 3 329.488 2.887 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000496014021 478480973 /nfs/dbraw/zinc/48/09/73/478480973.db2.gz KHJJRLGCSFNNOM-GVDBMIGSSA-N 1 3 339.524 2.953 20 0 EFADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000591177844 478483620 /nfs/dbraw/zinc/48/36/20/478483620.db2.gz XAQVLJREKJMHKT-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@H](CC(=O)N(CCN(C)C)C[C@@H]1CCC[N@H+]1CC)C(C)C ZINC000591177844 478483628 /nfs/dbraw/zinc/48/36/28/478483628.db2.gz XAQVLJREKJMHKT-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000581997447 478485554 /nfs/dbraw/zinc/48/55/54/478485554.db2.gz MLOKLFXUVXEOKR-CQSZACIVSA-N 1 3 336.505 2.846 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000594695788 478499442 /nfs/dbraw/zinc/49/94/42/478499442.db2.gz ZCDTXZCDYAVBNG-GOSISDBHSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000594695788 478499447 /nfs/dbraw/zinc/49/94/47/478499447.db2.gz ZCDTXZCDYAVBNG-GOSISDBHSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000594695801 478499512 /nfs/dbraw/zinc/49/95/12/478499512.db2.gz ZCDTXZCDYAVBNG-SFHVURJKSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000594695801 478499521 /nfs/dbraw/zinc/49/95/21/478499521.db2.gz ZCDTXZCDYAVBNG-SFHVURJKSA-N 1 3 331.504 2.990 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907737 478506776 /nfs/dbraw/zinc/50/67/76/478506776.db2.gz NZFOFNQESXPIQO-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]([N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1=O ZINC000540907737 478506783 /nfs/dbraw/zinc/50/67/83/478506783.db2.gz NZFOFNQESXPIQO-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527785739 478516707 /nfs/dbraw/zinc/51/67/07/478516707.db2.gz BHTWVRJPTHSVFU-LJQANCHMSA-N 1 3 348.535 2.710 20 0 EFADHO CCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000563350106 478526281 /nfs/dbraw/zinc/52/62/81/478526281.db2.gz KZJXKQDNIVHUKO-GJZGRUSLSA-N 1 3 337.533 2.514 20 0 EFADHO CCN(C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000563350106 478526291 /nfs/dbraw/zinc/52/62/91/478526291.db2.gz KZJXKQDNIVHUKO-GJZGRUSLSA-N 1 3 337.533 2.514 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc3ccccc3c2)CC[N@@H+]1C ZINC000571158301 478532306 /nfs/dbraw/zinc/53/23/06/478532306.db2.gz CNXFOZKQYUZNIQ-AYOQOUSVSA-N 1 3 328.456 2.652 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2ccc3ccccc3c2)CC[N@H+]1C ZINC000571158301 478532313 /nfs/dbraw/zinc/53/23/13/478532313.db2.gz CNXFOZKQYUZNIQ-AYOQOUSVSA-N 1 3 328.456 2.652 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)CC1 ZINC000496103852 478539042 /nfs/dbraw/zinc/53/90/42/478539042.db2.gz NDWZOZOMIKEUTR-UONOGXRCSA-N 1 3 348.491 2.756 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000571185553 478539891 /nfs/dbraw/zinc/53/98/91/478539891.db2.gz PCXUGVUJZFZIQM-GOSISDBHSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@@H]1CNCC[C@H]1[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496108868 478543086 /nfs/dbraw/zinc/54/30/86/478543086.db2.gz UTQQJVXAYOIROF-SOLBZPMBSA-N 1 3 331.460 2.628 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1)[C@@H]1CC12CC2 ZINC000527864723 478551059 /nfs/dbraw/zinc/55/10/59/478551059.db2.gz DSMBANXUKRNHBB-APWZRJJASA-N 1 3 341.499 2.790 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442339 478554261 /nfs/dbraw/zinc/55/42/61/478554261.db2.gz JIKUFOIIGZJDST-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442339 478554269 /nfs/dbraw/zinc/55/42/69/478554269.db2.gz JIKUFOIIGZJDST-OALUTQOASA-N 1 3 329.488 2.528 20 0 EFADHO O=C1CCCN1[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000563442869 478562000 /nfs/dbraw/zinc/56/20/00/478562000.db2.gz BCTIQQDBLCLJRZ-HKUYNNGSSA-N 1 3 333.520 2.917 20 0 EFADHO COC(=O)N1CCC([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000496140331 478564254 /nfs/dbraw/zinc/56/42/54/478564254.db2.gz IGGRUHJDAHVMQN-HNNXBMFYSA-N 1 3 346.475 2.507 20 0 EFADHO CNC[C@@](C)(O)C[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000582306086 478566543 /nfs/dbraw/zinc/56/65/43/478566543.db2.gz ABXFHHPHGGQZOY-MRXNPFEDSA-N 1 3 341.293 2.599 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000582350302 478576262 /nfs/dbraw/zinc/57/62/62/478576262.db2.gz IAGDCPHDHRMKKI-GOSISDBHSA-N 1 3 332.492 2.511 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC000563529507 478579391 /nfs/dbraw/zinc/57/93/91/478579391.db2.gz QIDFNZFOYKBHIF-UHOSZYNNSA-N 1 3 344.503 2.640 20 0 EFADHO C[C@H]([NH3+])CN[C@@H](C)CCc1ccc(I)cc1 ZINC000591581314 478584562 /nfs/dbraw/zinc/58/45/62/478584562.db2.gz NRWPEIMGMRNSOJ-QWRGUYRKSA-N 1 3 332.229 2.549 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000571394883 478586351 /nfs/dbraw/zinc/58/63/51/478586351.db2.gz UHMSFHMOYBCUEA-BURFUSLBSA-N 1 3 332.467 2.700 20 0 EFADHO Fc1cccnc1N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000571394884 478586815 /nfs/dbraw/zinc/58/68/15/478586815.db2.gz UHMSFHMOYBCUEA-CIRFHOKZSA-N 1 3 332.467 2.700 20 0 EFADHO Cc1cc(F)c(CNCCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000582405962 478588647 /nfs/dbraw/zinc/58/86/47/478588647.db2.gz KYOJRBPAIPOWRR-UHFFFAOYSA-N 1 3 327.875 2.905 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000527967702 478592027 /nfs/dbraw/zinc/59/20/27/478592027.db2.gz JPZWCPBXHZHZAN-IXIUHKBRSA-N 1 3 331.504 2.588 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000527967702 478592035 /nfs/dbraw/zinc/59/20/35/478592035.db2.gz JPZWCPBXHZHZAN-IXIUHKBRSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000541823818 478592535 /nfs/dbraw/zinc/59/25/35/478592535.db2.gz SZSHIVQQYCQYGR-DOTOQJQBSA-N 1 3 340.556 2.725 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000582419315 478593831 /nfs/dbraw/zinc/59/38/31/478593831.db2.gz WVLFMKKQFZZCQL-KNXWPPODSA-N 1 3 338.540 2.654 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1Cl)N1CCCCC1 ZINC000563618526 478603404 /nfs/dbraw/zinc/60/34/04/478603404.db2.gz ZXMCCWHJMGCCLA-JKSUJKDBSA-N 1 3 340.895 2.934 20 0 EFADHO O=C(CC[NH2+]C1CCN(C2CCCCC2)CC1)Nc1ccccn1 ZINC000541911069 478613673 /nfs/dbraw/zinc/61/36/73/478613673.db2.gz CDXSWXFZRQIRHT-UHFFFAOYSA-N 1 3 330.476 2.797 20 0 EFADHO CC(C)(C)OC(=O)CCN(CCC[NH+]1CCCC1)C1CCOCC1 ZINC000563705746 478620812 /nfs/dbraw/zinc/62/08/12/478620812.db2.gz ARQKVXNQKAJLJD-UHFFFAOYSA-N 1 3 340.508 2.685 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000582554825 478629476 /nfs/dbraw/zinc/62/94/76/478629476.db2.gz WQNBZMQZMPPKAP-IBGZPJMESA-N 1 3 343.515 2.854 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000582603702 478640468 /nfs/dbraw/zinc/64/04/68/478640468.db2.gz NXDFJNIPHDYOJR-PXNSSMCTSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1=CCN(C)CC1 ZINC000571672011 478651179 /nfs/dbraw/zinc/65/11/79/478651179.db2.gz MHCBLUMEOIPEFI-VQIMIIECSA-N 1 3 346.515 2.964 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000582660183 478653865 /nfs/dbraw/zinc/65/38/65/478653865.db2.gz NULPQCZBBFYLNU-XFUTXVRSSA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000582660183 478653873 /nfs/dbraw/zinc/65/38/73/478653873.db2.gz NULPQCZBBFYLNU-XFUTXVRSSA-N 1 3 332.488 2.712 20 0 EFADHO C[C@H]([NH2+]C1(C2CC2)CC1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000542527805 478659893 /nfs/dbraw/zinc/65/98/93/478659893.db2.gz YJZGYRAEJSSKRM-INIZCTEOSA-N 1 3 341.499 2.688 20 0 EFADHO COC(=O)c1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)c[nH]1 ZINC000601137961 478681729 /nfs/dbraw/zinc/68/17/29/478681729.db2.gz LBOBTAKWVATSRF-QAPCUYQASA-N 1 3 341.455 2.659 20 0 EFADHO NC[C@H](NC(=O)N1CCC(CC[NH3+])CC1)c1ccc2ccccc2c1 ZINC000571929313 478710583 /nfs/dbraw/zinc/71/05/83/478710583.db2.gz JLDUWTDEDZGOET-IBGZPJMESA-N 1 3 340.471 2.610 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C\CN(C)C)cc1 ZINC000491885192 478723409 /nfs/dbraw/zinc/72/34/09/478723409.db2.gz NXEOLBOCHWORJP-BQLWYNFJSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C\CN(C)C)cc1 ZINC000491885192 478723412 /nfs/dbraw/zinc/72/34/12/478723412.db2.gz NXEOLBOCHWORJP-BQLWYNFJSA-N 1 3 329.488 2.795 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC(C)(C)C[C@H]3C)CC2)CC1 ZINC000564352802 478731411 /nfs/dbraw/zinc/73/14/11/478731411.db2.gz WJZAWOVWXPAZJD-MRXNPFEDSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])c(OCCN(C)C)c1 ZINC000572124083 478759339 /nfs/dbraw/zinc/75/93/39/478759339.db2.gz HWESPFQYHNWMQE-HZPDHXFCSA-N 1 3 333.476 2.782 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000572130871 478760153 /nfs/dbraw/zinc/76/01/53/478760153.db2.gz LCOWHPXDSSHBCJ-MRXNPFEDSA-N 1 3 344.503 2.822 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000572130871 478760160 /nfs/dbraw/zinc/76/01/60/478760160.db2.gz LCOWHPXDSSHBCJ-MRXNPFEDSA-N 1 3 344.503 2.822 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000572231056 478782043 /nfs/dbraw/zinc/78/20/43/478782043.db2.gz HUKQTDQMYJKQIQ-OAGGEKHMSA-N 1 3 335.452 2.597 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)nn1 ZINC000572344694 478810500 /nfs/dbraw/zinc/81/05/00/478810500.db2.gz LJHHUELCDBMJBU-FQEVSTJZSA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)nn1 ZINC000572344694 478810507 /nfs/dbraw/zinc/81/05/07/478810507.db2.gz LJHHUELCDBMJBU-FQEVSTJZSA-N 1 3 348.454 2.636 20 0 EFADHO OC1(C[NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000583317681 478821775 /nfs/dbraw/zinc/82/17/75/478821775.db2.gz TURPTCQWIWRBHD-UHFFFAOYSA-N 1 3 332.488 2.562 20 0 EFADHO C[C@H](CNC[C@@H](O)Cc1ccccc1C(F)(F)F)C[NH+]1CCCC1 ZINC000564843551 478828880 /nfs/dbraw/zinc/82/88/80/478828880.db2.gz AJNOJFYLUVDSNN-ZBFHGGJFSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F)CN1CCCC1 ZINC000564843551 478828890 /nfs/dbraw/zinc/82/88/90/478828890.db2.gz AJNOJFYLUVDSNN-ZBFHGGJFSA-N 1 3 344.421 2.930 20 0 EFADHO CNC[C@@](C)(O)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000572413671 478829880 /nfs/dbraw/zinc/82/98/80/478829880.db2.gz OHKXXZRGMFYBMI-MRXNPFEDSA-N 1 3 341.293 2.599 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CCCN(C(C)C)C2)c1 ZINC000564848810 478830843 /nfs/dbraw/zinc/83/08/43/478830843.db2.gz ZODNXLLHBZKSCO-RTBURBONSA-N 1 3 334.504 2.753 20 0 EFADHO CC(C)CC[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000564847781 478831226 /nfs/dbraw/zinc/83/12/26/478831226.db2.gz BSRVVKAHCFKPRG-FQEVSTJZSA-N 1 3 334.504 2.530 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000544574536 478848462 /nfs/dbraw/zinc/84/84/62/478848462.db2.gz XVPVNWFACQLIOO-OAHLLOKOSA-N 1 3 333.476 2.580 20 0 EFADHO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000572494740 478852075 /nfs/dbraw/zinc/85/20/75/478852075.db2.gz LNYBVWBQXWWIJS-OAGGEKHMSA-N 1 3 344.503 2.820 20 0 EFADHO Brc1ccc(-c2c[nH]c(CNCC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000583487493 478861874 /nfs/dbraw/zinc/86/18/74/478861874.db2.gz WOZSQHVFTIXKMR-GFCCVEGCSA-N 1 3 349.276 2.928 20 0 EFADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000583488220 478861985 /nfs/dbraw/zinc/86/19/85/478861985.db2.gz ALQHEJBAJZKSMC-LJQANCHMSA-N 1 3 336.439 2.686 20 0 EFADHO C[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)[C@H](c1ccccc1)N(C)C ZINC000564938965 478865692 /nfs/dbraw/zinc/86/56/92/478865692.db2.gz XDGONTBECQCKKQ-DNVCBOLYSA-N 1 3 340.471 2.636 20 0 EFADHO O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000564955392 478867736 /nfs/dbraw/zinc/86/77/36/478867736.db2.gz YYVUEVACAPTOER-KRWDZBQOSA-N 1 3 336.439 2.536 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCC[NH+]1CCCC1)N(C)C ZINC000505728152 478881195 /nfs/dbraw/zinc/88/11/95/478881195.db2.gz YCCNMVVKENTRNH-IEBWSBKVSA-N 1 3 346.519 2.771 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCC1CCN(c2ccncc2)CC1 ZINC000565038208 478892719 /nfs/dbraw/zinc/89/27/19/478892719.db2.gz LXWSXJMVNRVQRG-MOPGFXCFSA-N 1 3 344.503 2.535 20 0 EFADHO Cc1ccc2cc(C[N@@H+](C)CCCN(C)CCN(C)C)ccc2n1 ZINC000572683047 478893826 /nfs/dbraw/zinc/89/38/26/478893826.db2.gz DPKLGXMXMTUMMB-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO Cc1ccc2cc(C[N@H+](C)CCCN(C)CCN(C)C)ccc2n1 ZINC000572683047 478893834 /nfs/dbraw/zinc/89/38/34/478893834.db2.gz DPKLGXMXMTUMMB-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO NC[C@@H](C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713200 478902486 /nfs/dbraw/zinc/90/24/86/478902486.db2.gz QIBDXWFHRPTALI-GJZGRUSLSA-N 1 3 330.407 2.618 20 0 EFADHO NC[C@@H](C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)c1ccc(F)cc1 ZINC000572713200 478902493 /nfs/dbraw/zinc/90/24/93/478902493.db2.gz QIBDXWFHRPTALI-GJZGRUSLSA-N 1 3 330.407 2.618 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000572731943 478908946 /nfs/dbraw/zinc/90/89/46/478908946.db2.gz JKAFWACHSJQKAG-OAQYLSRUSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000572824646 478927328 /nfs/dbraw/zinc/92/73/28/478927328.db2.gz BNMUBUQDHHHEGQ-AEFFLSMTSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@H]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000507939662 478932224 /nfs/dbraw/zinc/93/22/24/478932224.db2.gz RLNXMGOZLVUVKM-SXLOBPIMSA-N 1 3 345.531 2.691 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1nccc2ccccc21 ZINC000583782738 478937955 /nfs/dbraw/zinc/93/79/55/478937955.db2.gz ZGSPOBUHTIFKDK-QGZVFWFLSA-N 1 3 326.488 2.913 20 0 EFADHO COC(=O)c1cc(CNCCCCC[NH+]2CCCC2)n2c1CCCC2 ZINC000598644288 478943271 /nfs/dbraw/zinc/94/32/71/478943271.db2.gz HPADELPYGZAPOI-UHFFFAOYSA-N 1 3 347.503 2.967 20 0 EFADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCC[NH2+]C1 ZINC000583806564 478945462 /nfs/dbraw/zinc/94/54/62/478945462.db2.gz YVMRZNCRMDQRRL-JQERWDHBSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCCNC1 ZINC000583806564 478945474 /nfs/dbraw/zinc/94/54/74/478945474.db2.gz YVMRZNCRMDQRRL-JQERWDHBSA-N 1 3 334.479 2.877 20 0 EFADHO Cc1ncncc1[C@@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000565217737 478953998 /nfs/dbraw/zinc/95/39/98/478953998.db2.gz MWISDIMDLSTQHQ-OAHLLOKOSA-N 1 3 328.460 2.619 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225902 478956996 /nfs/dbraw/zinc/95/69/96/478956996.db2.gz HCGWLOYETUKNNA-KFWWJZLASA-N 1 3 346.393 2.596 20 0 EFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225902 478957000 /nfs/dbraw/zinc/95/70/00/478957000.db2.gz HCGWLOYETUKNNA-KFWWJZLASA-N 1 3 346.393 2.596 20 0 EFADHO C[NH2+][C@@H](C)C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000565312471 478977240 /nfs/dbraw/zinc/97/72/40/478977240.db2.gz BUBFHBNVMNNSBH-HNNXBMFYSA-N 1 3 325.456 2.639 20 0 EFADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000565358493 478987792 /nfs/dbraw/zinc/98/77/92/478987792.db2.gz DXRBWALBLAHFNK-YPMHNXCESA-N 1 3 331.287 2.969 20 0 EFADHO C[C@H](Cc1c(Cl)cccc1Cl)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000565358493 478987798 /nfs/dbraw/zinc/98/77/98/478987798.db2.gz DXRBWALBLAHFNK-YPMHNXCESA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@@H]1C ZINC000512293182 478994535 /nfs/dbraw/zinc/99/45/35/478994535.db2.gz DBMXUBHQMJUTKV-LFGUQSLTSA-N 1 3 345.531 2.690 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000573224423 479019219 /nfs/dbraw/zinc/01/92/19/479019219.db2.gz KIPFPUZLGLRDAE-OALUTQOASA-N 1 3 346.519 2.523 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000584170272 479040447 /nfs/dbraw/zinc/04/04/47/479040447.db2.gz GLJWQOGIEKRDTI-BRWVUGGUSA-N 1 3 343.515 2.921 20 0 EFADHO O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000584171907 479040649 /nfs/dbraw/zinc/04/06/49/479040649.db2.gz LUNGUXRNJMOANP-PKOBYXMFSA-N 1 3 347.478 2.686 20 0 EFADHO COc1cc(CN2CC[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)cc(OC)c1 ZINC000565710587 479067592 /nfs/dbraw/zinc/06/75/92/479067592.db2.gz VQAVRXKKWACZBO-DBVUQKKJSA-N 1 3 347.503 2.528 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000514900043 479087093 /nfs/dbraw/zinc/08/70/93/479087093.db2.gz PAPODPSLOZTYFR-QGZVFWFLSA-N 1 3 345.487 2.619 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000584302418 479087854 /nfs/dbraw/zinc/08/78/54/479087854.db2.gz CZEPLZZVBSPLHZ-PKOBYXMFSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000584302417 479088141 /nfs/dbraw/zinc/08/81/41/479088141.db2.gz CZEPLZZVBSPLHZ-MJGOQNOKSA-N 1 3 346.519 2.886 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933463 479092448 /nfs/dbraw/zinc/09/24/48/479092448.db2.gz XYESWAICCFGAPO-CTNGQTDRSA-N 1 3 342.458 2.841 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccc(F)cc1 ZINC000514933463 479092457 /nfs/dbraw/zinc/09/24/57/479092457.db2.gz XYESWAICCFGAPO-CTNGQTDRSA-N 1 3 342.458 2.841 20 0 EFADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCOCC2)c1 ZINC000584351421 479105687 /nfs/dbraw/zinc/10/56/87/479105687.db2.gz HMMMBYCAYKLDOH-MRXNPFEDSA-N 1 3 325.456 2.833 20 0 EFADHO CSC1(CNCc2ccc(F)c(F)c2N(C)C)CC[NH+](C)CC1 ZINC000598974161 479108762 /nfs/dbraw/zinc/10/87/62/479108762.db2.gz OLLOHXYHXFLVJW-UHFFFAOYSA-N 1 3 343.487 2.948 20 0 EFADHO CCOc1ccc(CCC2CCN(C[C@@](C)(O)C[NH2+]C)CC2)cc1 ZINC000584415500 479126644 /nfs/dbraw/zinc/12/66/44/479126644.db2.gz LREZXIWGEFQMEP-FQEVSTJZSA-N 1 3 334.504 2.700 20 0 EFADHO CCOc1ccc(CCC2CC[NH+](C[C@@](C)(O)CNC)CC2)cc1 ZINC000584415500 479126653 /nfs/dbraw/zinc/12/66/53/479126653.db2.gz LREZXIWGEFQMEP-FQEVSTJZSA-N 1 3 334.504 2.700 20 0 EFADHO COC(=O)CC1CCC([NH2+]Cc2ccc(OCCN(C)C)cc2)CC1 ZINC000599026360 479131097 /nfs/dbraw/zinc/13/10/97/479131097.db2.gz VZLQCDZIENRHQH-UHFFFAOYSA-N 1 3 348.487 2.839 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000573728955 479132179 /nfs/dbraw/zinc/13/21/79/479132179.db2.gz ZMNHUJBRFBDSHH-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000573728955 479132186 /nfs/dbraw/zinc/13/21/86/479132186.db2.gz ZMNHUJBRFBDSHH-UYAOXDASSA-N 1 3 343.515 2.984 20 0 EFADHO COC(=O)CC1CCC([NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000599034054 479133868 /nfs/dbraw/zinc/13/38/68/479133868.db2.gz YYTDMZNYNGQYIB-VYMRPNJYSA-N 1 3 340.508 2.587 20 0 EFADHO COC(=O)CC1CCC([NH2+]Cc2ccccc2OCCN(C)C)CC1 ZINC000599033285 479134098 /nfs/dbraw/zinc/13/40/98/479134098.db2.gz OJPHWEDZOYWNHX-UHFFFAOYSA-N 1 3 348.487 2.839 20 0 EFADHO CC(C)(C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)CN1CCCC1 ZINC000584465594 479144030 /nfs/dbraw/zinc/14/40/30/479144030.db2.gz QSNGJPWRPWDLAW-MRXNPFEDSA-N 1 3 345.487 2.619 20 0 EFADHO CCN(C)C(=O)CCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000515304545 479144510 /nfs/dbraw/zinc/14/45/10/479144510.db2.gz ZWZVEYVPDTWEJO-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CCN(C)C(=O)CCN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000515304545 479144519 /nfs/dbraw/zinc/14/45/19/479144519.db2.gz ZWZVEYVPDTWEJO-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000569702754 479159662 /nfs/dbraw/zinc/15/96/62/479159662.db2.gz NICJHDGBYSOJOP-OAQYLSRUSA-N 1 3 343.515 2.888 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1nc(C(C)C)n2ccccc12 ZINC000573974414 479186149 /nfs/dbraw/zinc/18/61/49/479186149.db2.gz VVUDRAPESCBOGT-INIZCTEOSA-N 1 3 332.492 2.904 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569842533 479193563 /nfs/dbraw/zinc/19/35/63/479193563.db2.gz RVKVQOCZDBZJRW-LZLYRXPVSA-N 1 3 334.508 2.568 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000574018748 479196235 /nfs/dbraw/zinc/19/62/35/479196235.db2.gz KPDAXSNZSHUBHJ-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000574022066 479196266 /nfs/dbraw/zinc/19/62/66/479196266.db2.gz FNCPNFXDYVFQMT-OAHLLOKOSA-N 1 3 344.503 2.964 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000574022066 479196274 /nfs/dbraw/zinc/19/62/74/479196274.db2.gz FNCPNFXDYVFQMT-OAHLLOKOSA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NC1CCN(C2CC2)CC1 ZINC000569888940 479199677 /nfs/dbraw/zinc/19/96/77/479199677.db2.gz GUTJHSWOULENOC-ATZDWAIDSA-N 1 3 335.536 2.780 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)C1 ZINC000574071610 479210247 /nfs/dbraw/zinc/21/02/47/479210247.db2.gz HIQHRQMLNMCXQY-OALUTQOASA-N 1 3 334.504 2.673 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000569944165 479216115 /nfs/dbraw/zinc/21/61/15/479216115.db2.gz MUEWRSWSONESPF-QGZVFWFLSA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000569944165 479216120 /nfs/dbraw/zinc/21/61/20/479216120.db2.gz MUEWRSWSONESPF-QGZVFWFLSA-N 1 3 344.503 2.964 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)NCCN1CCCCCC1 ZINC000556888673 479233948 /nfs/dbraw/zinc/23/39/48/479233948.db2.gz GFQJIFZQCNEQEE-WOJBJXKFSA-N 1 3 343.515 2.905 20 0 EFADHO Cc1cc(N2CCC(N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)nc(C)n1 ZINC000556952145 479242505 /nfs/dbraw/zinc/24/25/05/479242505.db2.gz VTCXUWWMGPOSSN-KXBFYZLASA-N 1 3 345.535 2.963 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000529724122 479270270 /nfs/dbraw/zinc/27/02/70/479270270.db2.gz WTPNYXFLWMEJAZ-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000529724122 479270276 /nfs/dbraw/zinc/27/02/76/479270276.db2.gz WTPNYXFLWMEJAZ-LJQANCHMSA-N 1 3 329.488 2.885 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C[C@@H]3CC=CCC3)CC2)CC1 ZINC000574413848 479283762 /nfs/dbraw/zinc/28/37/62/479283762.db2.gz LFEJYVMWCMNWHO-GOSISDBHSA-N 1 3 347.547 2.997 20 0 EFADHO COC1CC[NH+](C2(CN[C@@H](C)c3cnccc3N)CCCC2)CC1 ZINC000574442769 479286556 /nfs/dbraw/zinc/28/65/56/479286556.db2.gz CXMTZNJEGVAYSB-HNNXBMFYSA-N 1 3 332.492 2.568 20 0 EFADHO COC1CCN(C2(C[NH2+][C@@H](C)c3cnccc3N)CCCC2)CC1 ZINC000574442769 479286560 /nfs/dbraw/zinc/28/65/60/479286560.db2.gz CXMTZNJEGVAYSB-HNNXBMFYSA-N 1 3 332.492 2.568 20 0 EFADHO COC(=O)CCCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000599416950 479289237 /nfs/dbraw/zinc/28/92/37/479289237.db2.gz ZDRILGKLZWESTO-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000599416950 479289241 /nfs/dbraw/zinc/28/92/41/479289241.db2.gz ZDRILGKLZWESTO-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO [NH3+]C[C@H]1CCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630350 479319337 /nfs/dbraw/zinc/31/93/37/479319337.db2.gz VTYOXJMGLJCPNK-BXKDBHETSA-N 1 3 336.789 2.883 20 0 EFADHO NC[C@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630350 479319339 /nfs/dbraw/zinc/31/93/39/479319339.db2.gz VTYOXJMGLJCPNK-BXKDBHETSA-N 1 3 336.789 2.883 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000585768087 479323604 /nfs/dbraw/zinc/32/36/04/479323604.db2.gz BGGCOAWKMATVPZ-VQIMIIECSA-N 1 3 332.488 2.871 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1CCN(c2ccncc2)CC1 ZINC000593395021 479324798 /nfs/dbraw/zinc/32/47/98/479324798.db2.gz DBMHXGBJWDBONZ-UHFFFAOYSA-N 1 3 332.492 2.632 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@H]1c1cccs1 ZINC000574694835 479331036 /nfs/dbraw/zinc/33/10/36/479331036.db2.gz RPBDJBBKQBQELX-VYDXJSESSA-N 1 3 335.517 2.779 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000574694832 479331508 /nfs/dbraw/zinc/33/15/08/479331508.db2.gz RPBDJBBKQBQELX-BFYDXBDKSA-N 1 3 335.517 2.779 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1c1cccs1 ZINC000574694833 479331583 /nfs/dbraw/zinc/33/15/83/479331583.db2.gz RPBDJBBKQBQELX-HLLBOEOZSA-N 1 3 335.517 2.779 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000575058574 479396910 /nfs/dbraw/zinc/39/69/10/479396910.db2.gz JDKHPPCOHITHLU-IBGZPJMESA-N 1 3 329.488 2.547 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000589221371 479501946 /nfs/dbraw/zinc/50/19/46/479501946.db2.gz VTEVBVVJNQDEOH-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000589221371 479501950 /nfs/dbraw/zinc/50/19/50/479501950.db2.gz VTEVBVVJNQDEOH-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CCC[C@H](N)C2)cc1 ZINC000575935489 479507761 /nfs/dbraw/zinc/50/77/61/479507761.db2.gz UXSFPFVSQKRBLT-SZMVWBNQSA-N 1 3 347.503 2.902 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1C ZINC000600165191 479555625 /nfs/dbraw/zinc/55/56/25/479555625.db2.gz HOCXDKBZBTYANG-QGZVFWFLSA-N 1 3 347.503 2.972 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c1C ZINC000600165191 479555628 /nfs/dbraw/zinc/55/56/28/479555628.db2.gz HOCXDKBZBTYANG-QGZVFWFLSA-N 1 3 347.503 2.972 20 0 EFADHO COC(=O)c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602845927 479591154 /nfs/dbraw/zinc/59/11/54/479591154.db2.gz NHRBMJFAIQDJIK-UHFFFAOYSA-N 1 3 325.412 2.581 20 0 EFADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875710 479623732 /nfs/dbraw/zinc/62/37/32/479623732.db2.gz XIYJPSAESIDJGA-DOTOQJQBSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)N(C)C ZINC000578875710 479623737 /nfs/dbraw/zinc/62/37/37/479623737.db2.gz XIYJPSAESIDJGA-DOTOQJQBSA-N 1 3 337.533 2.677 20 0 EFADHO O=C(CNC1(c2ccccc2)CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000578923107 479632489 /nfs/dbraw/zinc/63/24/89/479632489.db2.gz YNDPEYWEEIWYAU-UHFFFAOYSA-N 1 3 341.499 2.789 20 0 EFADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCCCC1 ZINC000578980346 479643019 /nfs/dbraw/zinc/64/30/19/479643019.db2.gz GQOFQBUWKXWDDJ-GOSISDBHSA-N 1 3 344.503 2.612 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000579088070 479658340 /nfs/dbraw/zinc/65/83/40/479658340.db2.gz SVKWOLDVQYZZOK-AZUAARDMSA-N 1 3 340.471 2.795 20 0 EFADHO CN(CCC[NH+](C)C)C(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000579088703 479658517 /nfs/dbraw/zinc/65/85/17/479658517.db2.gz LDPAPLULUCVKGV-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618986580 479659791 /nfs/dbraw/zinc/65/97/91/479659791.db2.gz GOKYGHRYPMNJNM-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618986580 479659794 /nfs/dbraw/zinc/65/97/94/479659794.db2.gz GOKYGHRYPMNJNM-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618986579 479660150 /nfs/dbraw/zinc/66/01/50/479660150.db2.gz GOKYGHRYPMNJNM-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618986579 479660156 /nfs/dbraw/zinc/66/01/56/479660156.db2.gz GOKYGHRYPMNJNM-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(CCCO)Cc2ccccc2)cc1 ZINC000579132587 479666953 /nfs/dbraw/zinc/66/69/53/479666953.db2.gz FYDXWGIWYVJZEZ-IBGZPJMESA-N 1 3 328.456 2.622 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000579132587 479666957 /nfs/dbraw/zinc/66/69/57/479666957.db2.gz FYDXWGIWYVJZEZ-IBGZPJMESA-N 1 3 328.456 2.622 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000579132587 479666959 /nfs/dbraw/zinc/66/69/59/479666959.db2.gz FYDXWGIWYVJZEZ-IBGZPJMESA-N 1 3 328.456 2.622 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615444650 479674508 /nfs/dbraw/zinc/67/45/08/479674508.db2.gz AQZLJWKEXZARAR-CALCHBBNSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000579232186 479676863 /nfs/dbraw/zinc/67/68/63/479676863.db2.gz LYGSIUASATWFIZ-QZTJIDSGSA-N 1 3 331.504 2.964 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000579232185 479677219 /nfs/dbraw/zinc/67/72/19/479677219.db2.gz LYGSIUASATWFIZ-MSOLQXFVSA-N 1 3 331.504 2.964 20 0 EFADHO C[C@H]1C[C@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000606447610 479688213 /nfs/dbraw/zinc/68/82/13/479688213.db2.gz PLDNJTGQOABGQN-FXAWDEMLSA-N 1 3 339.483 2.870 20 0 EFADHO C[C@H]1C[C@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000606447610 479688215 /nfs/dbraw/zinc/68/82/15/479688215.db2.gz PLDNJTGQOABGQN-FXAWDEMLSA-N 1 3 339.483 2.870 20 0 EFADHO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000612579628 479699643 /nfs/dbraw/zinc/69/96/43/479699643.db2.gz ODYRNGBMXLRCIE-UYAOXDASSA-N 1 3 348.487 2.839 20 0 EFADHO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000612579627 479699912 /nfs/dbraw/zinc/69/99/12/479699912.db2.gz ODYRNGBMXLRCIE-QUCCMNQESA-N 1 3 348.487 2.839 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NCC1CCN(Cc2cccs2)CC1 ZINC000621642743 479735333 /nfs/dbraw/zinc/73/53/33/479735333.db2.gz UXMQJLXAWIHXRT-MRXNPFEDSA-N 1 3 349.544 2.856 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642592 479735366 /nfs/dbraw/zinc/73/53/66/479735366.db2.gz QZJHHRKYILFIJI-AOIWGVFYSA-N 1 3 329.488 2.718 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000621641459 479735415 /nfs/dbraw/zinc/73/54/15/479735415.db2.gz KMROSNKLJLKJLP-CVEARBPZSA-N 1 3 335.517 2.781 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621652704 479737889 /nfs/dbraw/zinc/73/78/89/479737889.db2.gz DCJLNIPMCATNTI-QGZVFWFLSA-N 1 3 331.504 2.877 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000628108045 479765799 /nfs/dbraw/zinc/76/57/99/479765799.db2.gz XAKDPRQTQSCJTJ-YSIASYRMSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000628108045 479765804 /nfs/dbraw/zinc/76/58/04/479765804.db2.gz XAKDPRQTQSCJTJ-YSIASYRMSA-N 1 3 343.515 2.568 20 0 EFADHO CCCN1CC[C@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633355853 479786070 /nfs/dbraw/zinc/78/60/70/479786070.db2.gz ANWOAGJCCVCUNX-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccccc1[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1CC1 ZINC000607244165 479792712 /nfs/dbraw/zinc/79/27/12/479792712.db2.gz ISONNDPLMCSNSQ-LJQANCHMSA-N 1 3 346.519 2.581 20 0 EFADHO CC(C)[NH+]1CCC(N2CCN(C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628188135 479803708 /nfs/dbraw/zinc/80/37/08/479803708.db2.gz OXHMVYCLJAAONK-GOSISDBHSA-N 1 3 325.566 2.763 20 0 EFADHO COCCc1ncc(CNCCCC[N@@H+]2CCC[C@H](C)C2)s1 ZINC000631042943 479852864 /nfs/dbraw/zinc/85/28/64/479852864.db2.gz ODSJOQSRWONBRS-HNNXBMFYSA-N 1 3 325.522 2.934 20 0 EFADHO COCCc1ncc(CNCCCC[N@H+]2CCC[C@H](C)C2)s1 ZINC000631042943 479852870 /nfs/dbraw/zinc/85/28/70/479852870.db2.gz ODSJOQSRWONBRS-HNNXBMFYSA-N 1 3 325.522 2.934 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1cccc(OC)c1OC ZINC000631566448 480157641 /nfs/dbraw/zinc/15/76/41/480157641.db2.gz OLDGWHDWLCRWHB-SFHVURJKSA-N 1 3 349.519 2.772 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631570914 480160805 /nfs/dbraw/zinc/16/08/05/480160805.db2.gz VZHLVJSYSNTMOF-WMZOPIPTSA-N 1 3 347.503 2.525 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631586089 480168645 /nfs/dbraw/zinc/16/86/45/480168645.db2.gz FBNTUVRLPQGDGS-DOTOQJQBSA-N 1 3 336.476 2.855 20 0 EFADHO COc1cccc2c1OCCC[C@@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000631585549 480168777 /nfs/dbraw/zinc/16/87/77/480168777.db2.gz SGYROBWNISWQDC-SFHVURJKSA-N 1 3 347.503 2.525 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000631647324 480197314 /nfs/dbraw/zinc/19/73/14/480197314.db2.gz RSHYOVPWOWCOMY-UFYCRDLUSA-N 1 3 341.499 2.841 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000631667797 480206102 /nfs/dbraw/zinc/20/61/02/480206102.db2.gz SCWJQFQGKAYSMA-CMKODMSKSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631667797 480206109 /nfs/dbraw/zinc/20/61/09/480206109.db2.gz SCWJQFQGKAYSMA-CMKODMSKSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631667797 480206116 /nfs/dbraw/zinc/20/61/16/480206116.db2.gz SCWJQFQGKAYSMA-CMKODMSKSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1ccc([C@@H]2CCC[C@@H]2NCc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629405192 480245688 /nfs/dbraw/zinc/24/56/88/480245688.db2.gz HQKWVMNRGKHNPH-FHWLQOOXSA-N 1 3 325.460 2.547 20 0 EFADHO COc1cc(CNCC2(O)CC[NH+](C(C)C)CC2)ccc1Cl ZINC000623449239 480289595 /nfs/dbraw/zinc/28/95/95/480289595.db2.gz NWKCSIVFFUXIAT-UHFFFAOYSA-N 1 3 326.868 2.674 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629531963 480296299 /nfs/dbraw/zinc/29/62/99/480296299.db2.gz FZSLZWMNVWZTOJ-RISCZKNCSA-N 1 3 327.831 2.692 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1C1CCCCC1 ZINC000629532126 480296501 /nfs/dbraw/zinc/29/65/01/480296501.db2.gz MXPPLWKDGDREBG-ZIFCJYIRSA-N 1 3 333.520 2.632 20 0 EFADHO CO[C@H](CN1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccc(F)cc1 ZINC000629547674 480299182 /nfs/dbraw/zinc/29/91/82/480299182.db2.gz LIOPWUUHFAHLIH-NCXUSEDFSA-N 1 3 336.451 2.874 20 0 EFADHO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000629548896 480300883 /nfs/dbraw/zinc/30/08/83/480300883.db2.gz ZZRJQJYJKHJYJF-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCCCC1 ZINC000629548893 480301155 /nfs/dbraw/zinc/30/11/55/480301155.db2.gz ZZRJQJYJKHJYJF-HKUYNNGSSA-N 1 3 333.520 2.632 20 0 EFADHO O[C@H](CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)COCc1ccccc1 ZINC000629554687 480303682 /nfs/dbraw/zinc/30/36/82/480303682.db2.gz NFYKRXASABSRBL-PLACYPQZSA-N 1 3 346.515 2.855 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@@H](O)C[NH+]1CCCC1 ZINC000629558503 480305732 /nfs/dbraw/zinc/30/57/32/480305732.db2.gz ITDLYTFPANHDLD-SWLSCSKDSA-N 1 3 331.287 2.971 20 0 EFADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000629577389 480313233 /nfs/dbraw/zinc/31/32/33/480313233.db2.gz HHKWUHQKTKDHLS-DVOMOZLQSA-N 1 3 329.271 2.896 20 0 EFADHO O[C@@H](C[NH2+]CCOCc1ccc(Cl)cc1Cl)CN1CCCC1 ZINC000629573282 480314815 /nfs/dbraw/zinc/31/48/15/480314815.db2.gz DHLTZOHGQLKWKK-HNNXBMFYSA-N 1 3 347.286 2.556 20 0 EFADHO C[C@H]1CN(CCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)CCCO1 ZINC000623507368 480318815 /nfs/dbraw/zinc/31/88/15/480318815.db2.gz GDUZLIGAUCIKIO-AWEZNQCLSA-N 1 3 341.446 2.621 20 0 EFADHO Cc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)ncc1Br ZINC000623547735 480335525 /nfs/dbraw/zinc/33/55/25/480335525.db2.gz ZYJVAKRPPFWMLN-ZDUSSCGKSA-N 1 3 326.282 2.974 20 0 EFADHO Cc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)ncc1Br ZINC000623547735 480335528 /nfs/dbraw/zinc/33/55/28/480335528.db2.gz ZYJVAKRPPFWMLN-ZDUSSCGKSA-N 1 3 326.282 2.974 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)C1 ZINC000629650356 480343774 /nfs/dbraw/zinc/34/37/74/480343774.db2.gz SDYSZHNLOYNAAG-NLWGTHIKSA-N 1 3 328.456 2.681 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCN(c2ccncc2)CC1 ZINC000640445199 480382077 /nfs/dbraw/zinc/38/20/77/480382077.db2.gz FOEKAXXXWPFPKJ-LJQANCHMSA-N 1 3 342.487 2.527 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCCN(c2ccncc2)CC1 ZINC000640445199 480382083 /nfs/dbraw/zinc/38/20/83/480382083.db2.gz FOEKAXXXWPFPKJ-LJQANCHMSA-N 1 3 342.487 2.527 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545352 480428672 /nfs/dbraw/zinc/42/86/72/480428672.db2.gz JDFVEGZLXAIFLD-YADHBBJMSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545352 480428677 /nfs/dbraw/zinc/42/86/77/480428677.db2.gz JDFVEGZLXAIFLD-YADHBBJMSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545352 480428684 /nfs/dbraw/zinc/42/86/84/480428684.db2.gz JDFVEGZLXAIFLD-YADHBBJMSA-N 1 3 338.495 2.744 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000634706466 480445997 /nfs/dbraw/zinc/44/59/97/480445997.db2.gz PPEGXSZFKYIIBW-UGFHNGPFSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000634706466 480446002 /nfs/dbraw/zinc/44/60/02/480446002.db2.gz PPEGXSZFKYIIBW-UGFHNGPFSA-N 1 3 347.286 2.805 20 0 EFADHO CNC(=O)CCN(C)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638020704 480466758 /nfs/dbraw/zinc/46/67/58/480466758.db2.gz MIJOOEYWTANZNA-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CCN(C)C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638020704 480466773 /nfs/dbraw/zinc/46/67/73/480466773.db2.gz MIJOOEYWTANZNA-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CC[N@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638020704 480466782 /nfs/dbraw/zinc/46/67/82/480466782.db2.gz MIJOOEYWTANZNA-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO CNC(=O)CC[N@@H+](C)C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638020704 480466785 /nfs/dbraw/zinc/46/67/85/480466785.db2.gz MIJOOEYWTANZNA-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000644613255 480474036 /nfs/dbraw/zinc/47/40/36/480474036.db2.gz MVPPHFDIBVLVGY-FQEVSTJZSA-N 1 3 343.446 2.630 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21)C1=CCN(C)CC1 ZINC000644618389 480476686 /nfs/dbraw/zinc/47/66/86/480476686.db2.gz CHBXEJSWGGKQOS-LRQRDZAKSA-N 1 3 344.499 2.682 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1C ZINC000644618442 480477038 /nfs/dbraw/zinc/47/70/38/480477038.db2.gz JZSYARFJZIMQAH-IEBWSBKVSA-N 1 3 332.488 2.592 20 0 EFADHO CCOCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000644619680 480478992 /nfs/dbraw/zinc/47/89/92/480478992.db2.gz WSQCLKGPHBYJOS-PLACYPQZSA-N 1 3 346.515 2.664 20 0 EFADHO CCOCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000644619679 480479409 /nfs/dbraw/zinc/47/94/09/480479409.db2.gz WSQCLKGPHBYJOS-IVAOSVALSA-N 1 3 346.515 2.664 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629970467 480482779 /nfs/dbraw/zinc/48/27/79/480482779.db2.gz QXUYHWVLIWWGRF-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629970467 480482789 /nfs/dbraw/zinc/48/27/89/480482789.db2.gz QXUYHWVLIWWGRF-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCC(C)C)N2CCCC2)cc1 ZINC000638048453 480493433 /nfs/dbraw/zinc/49/34/33/480493433.db2.gz DKSQPRYMOZGPKI-MOPGFXCFSA-N 1 3 347.503 2.712 20 0 EFADHO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888779 480506644 /nfs/dbraw/zinc/50/66/44/480506644.db2.gz ULRJTEMGVQMKCG-IEBWSBKVSA-N 1 3 331.504 2.932 20 0 EFADHO CC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1C ZINC000623888779 480506654 /nfs/dbraw/zinc/50/66/54/480506654.db2.gz ULRJTEMGVQMKCG-IEBWSBKVSA-N 1 3 331.504 2.932 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638103824 480535765 /nfs/dbraw/zinc/53/57/65/480535765.db2.gz UVDWCVAYEXILCH-QRQLOZEOSA-N 1 3 331.504 2.919 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000638103824 480535771 /nfs/dbraw/zinc/53/57/71/480535771.db2.gz UVDWCVAYEXILCH-QRQLOZEOSA-N 1 3 331.504 2.919 20 0 EFADHO C[C@H]1CCN(C(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000638104249 480535968 /nfs/dbraw/zinc/53/59/68/480535968.db2.gz ZLPGEVMWYNMEAY-IVMQYODDSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638111206 480540010 /nfs/dbraw/zinc/54/00/10/480540010.db2.gz LFVALQWUJSIBPP-RBUKOAKNSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638111206 480540019 /nfs/dbraw/zinc/54/00/19/480540019.db2.gz LFVALQWUJSIBPP-RBUKOAKNSA-N 1 3 331.504 2.730 20 0 EFADHO COc1cccc(C[C@@H](N)C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1 ZINC000638114941 480545572 /nfs/dbraw/zinc/54/55/72/480545572.db2.gz CXZSOFKCEYEFPS-GOSISDBHSA-N 1 3 341.455 2.574 20 0 EFADHO COCCc1ncc(CN2CCC(CCC[NH+](C)C)CC2)s1 ZINC000638120679 480547453 /nfs/dbraw/zinc/54/74/53/480547453.db2.gz HBQUHMUCSZAPRO-UHFFFAOYSA-N 1 3 325.522 2.886 20 0 EFADHO C[C@H]1CN(Cc2cccc3ncccc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000638136882 480561020 /nfs/dbraw/zinc/56/10/20/480561020.db2.gz CDIPSVJGBYEXLR-LAUBAEHRSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@H]1N1CCN(C)CC1 ZINC000638137921 480562005 /nfs/dbraw/zinc/56/20/05/480562005.db2.gz QSYZLHPQJHYIKR-FXAWDEMLSA-N 1 3 340.515 2.636 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@H]1N1CCN(C)CC1 ZINC000638137921 480562009 /nfs/dbraw/zinc/56/20/09/480562009.db2.gz QSYZLHPQJHYIKR-FXAWDEMLSA-N 1 3 340.515 2.636 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@H]1C ZINC000624093060 480604627 /nfs/dbraw/zinc/60/46/27/480604627.db2.gz NATBKCQAJYTVRU-IZBJGVDFSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1CCCC[C@H]1C ZINC000624093060 480604635 /nfs/dbraw/zinc/60/46/35/480604635.db2.gz NATBKCQAJYTVRU-IZBJGVDFSA-N 1 3 343.515 2.711 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCCN(C)C2)c1 ZINC000624119811 480618370 /nfs/dbraw/zinc/61/83/70/480618370.db2.gz KDDBEBMJSNFSGS-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624119811 480618376 /nfs/dbraw/zinc/61/83/76/480618376.db2.gz KDDBEBMJSNFSGS-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119811 480618381 /nfs/dbraw/zinc/61/83/81/480618381.db2.gz KDDBEBMJSNFSGS-HZPDHXFCSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCCN(C)C2)c1 ZINC000624119809 480619321 /nfs/dbraw/zinc/61/93/21/480619321.db2.gz KDDBEBMJSNFSGS-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624119809 480619326 /nfs/dbraw/zinc/61/93/26/480619326.db2.gz KDDBEBMJSNFSGS-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624119809 480619330 /nfs/dbraw/zinc/61/93/30/480619330.db2.gz KDDBEBMJSNFSGS-CVEARBPZSA-N 1 3 333.476 2.734 20 0 EFADHO CO[C@@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCCC1 ZINC000638274965 480638273 /nfs/dbraw/zinc/63/82/73/480638273.db2.gz RCUMAKNFDQDWLY-NRFANRHFSA-N 1 3 346.515 2.938 20 0 EFADHO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)OC ZINC000638273919 480639791 /nfs/dbraw/zinc/63/97/91/480639791.db2.gz LZKAENPPMFWFNH-JXFKEZNVSA-N 1 3 334.504 2.794 20 0 EFADHO CCc1ccc([C@H](CNC2CC[NH+](CC(C)(C)O)CC2)N(C)C)cc1 ZINC000638287441 480643749 /nfs/dbraw/zinc/64/37/49/480643749.db2.gz DYCWMAXFPZKMDG-FQEVSTJZSA-N 1 3 347.547 2.677 20 0 EFADHO CCc1ccc([C@H](C[NH2+]C2CCN(CC(C)(C)O)CC2)N(C)C)cc1 ZINC000638287441 480643757 /nfs/dbraw/zinc/64/37/57/480643757.db2.gz DYCWMAXFPZKMDG-FQEVSTJZSA-N 1 3 347.547 2.677 20 0 EFADHO CCN(CCNC1CC[NH+](CC(C)(C)O)CC1)c1cccc(C)c1 ZINC000638286302 480644590 /nfs/dbraw/zinc/64/45/90/480644590.db2.gz POAKFMPIWOEFQV-UHFFFAOYSA-N 1 3 333.520 2.646 20 0 EFADHO NCc1cn([C@@H]2CC[N@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000635000408 480681447 /nfs/dbraw/zinc/68/14/47/480681447.db2.gz NNBSAWYPDVIZHO-QGZVFWFLSA-N 1 3 339.468 2.912 20 0 EFADHO NCc1cn([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)cs3)C2)nn1 ZINC000635000408 480681453 /nfs/dbraw/zinc/68/14/53/480681453.db2.gz NNBSAWYPDVIZHO-QGZVFWFLSA-N 1 3 339.468 2.912 20 0 EFADHO Cc1cc2cc(C[N@@H+]3CC[C@@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000634999898 480681524 /nfs/dbraw/zinc/68/15/24/480681524.db2.gz BVWIUWTVQJOAHC-MRXNPFEDSA-N 1 3 325.416 2.547 20 0 EFADHO Cc1cc2cc(C[N@H+]3CC[C@@H](n4cc(CN)nn4)C3)oc2cc1C ZINC000634999898 480681530 /nfs/dbraw/zinc/68/15/30/480681530.db2.gz BVWIUWTVQJOAHC-MRXNPFEDSA-N 1 3 325.416 2.547 20 0 EFADHO CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cccc3c2CCNC3)CC1 ZINC000635008818 480685585 /nfs/dbraw/zinc/68/55/85/480685585.db2.gz HFMVZMBZNLNHSG-UHFFFAOYSA-N 1 3 343.515 2.849 20 0 EFADHO Cc1c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cnn1C(C)(C)C ZINC000635010764 480686648 /nfs/dbraw/zinc/68/66/48/480686648.db2.gz VIGISDXXDHDNJH-AWEZNQCLSA-N 1 3 342.491 2.924 20 0 EFADHO COc1ccc([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)c(C)c1 ZINC000635012128 480688955 /nfs/dbraw/zinc/68/89/55/480688955.db2.gz QZECEUTVPDALKR-HNNXBMFYSA-N 1 3 326.444 2.981 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635012805 480689038 /nfs/dbraw/zinc/68/90/38/480689038.db2.gz VPVQXFKKOKOTJX-MRXNPFEDSA-N 1 3 342.418 2.738 20 0 EFADHO CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(CCN(C)C)c2)cc1 ZINC000632714037 480692369 /nfs/dbraw/zinc/69/23/69/480692369.db2.gz RBMXILSDUDULQT-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638374747 480692511 /nfs/dbraw/zinc/69/25/11/480692511.db2.gz SLEAEZODZPRDJR-APWZRJJASA-N 1 3 333.545 2.808 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H]2CCCNC(=O)C2)C1 ZINC000638374909 480692649 /nfs/dbraw/zinc/69/26/49/480692649.db2.gz RGMWNEMZEARILT-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CCCNC(=O)C2)C1 ZINC000638374909 480692652 /nfs/dbraw/zinc/69/26/52/480692652.db2.gz RGMWNEMZEARILT-FUHIMQAGSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCN(C)CC(F)F ZINC000624324457 480708682 /nfs/dbraw/zinc/70/86/82/480708682.db2.gz LMMSRUFXEXTBAN-NVXWUHKLSA-N 1 3 325.447 2.684 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCN(C)CC(F)F ZINC000624324457 480708687 /nfs/dbraw/zinc/70/86/87/480708687.db2.gz LMMSRUFXEXTBAN-NVXWUHKLSA-N 1 3 325.447 2.684 20 0 EFADHO Cc1cccc(C)c1OC[C@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638427833 480721142 /nfs/dbraw/zinc/72/11/42/480721142.db2.gz QWSXKIKTCPFRIC-KRWDZBQOSA-N 1 3 334.504 2.896 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645165673 480725877 /nfs/dbraw/zinc/72/58/77/480725877.db2.gz OICOIEVIVFYQPU-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645165673 480725881 /nfs/dbraw/zinc/72/58/81/480725881.db2.gz OICOIEVIVFYQPU-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CN(C)C(=O)CC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638453309 480732331 /nfs/dbraw/zinc/73/23/31/480732331.db2.gz OKZXSLNHWXHILR-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)C(=O)CCNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638453309 480732335 /nfs/dbraw/zinc/73/23/35/480732335.db2.gz OKZXSLNHWXHILR-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)C(=O)CCNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638453309 480732339 /nfs/dbraw/zinc/73/23/39/480732339.db2.gz OKZXSLNHWXHILR-NRFANRHFSA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)C(=O)CC[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638453311 480733008 /nfs/dbraw/zinc/73/30/08/480733008.db2.gz OKZXSLNHWXHILR-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)C(=O)CCNC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638453311 480733015 /nfs/dbraw/zinc/73/30/15/480733015.db2.gz OKZXSLNHWXHILR-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO CN(C)C(=O)CCNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638453311 480733021 /nfs/dbraw/zinc/73/30/21/480733021.db2.gz OKZXSLNHWXHILR-OAQYLSRUSA-N 1 3 345.531 2.993 20 0 EFADHO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000638457488 480735237 /nfs/dbraw/zinc/73/52/37/480735237.db2.gz RXXAUVGOXBTURK-RDJZCZTQSA-N 1 3 349.544 2.997 20 0 EFADHO O[C@H](CN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)COCC1CC1 ZINC000638495926 480753403 /nfs/dbraw/zinc/75/34/03/480753403.db2.gz NWVHEXDIHALCCP-CEWLAPEOSA-N 1 3 344.499 2.732 20 0 EFADHO O[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)COCC1CC1 ZINC000638495926 480753409 /nfs/dbraw/zinc/75/34/09/480753409.db2.gz NWVHEXDIHALCCP-CEWLAPEOSA-N 1 3 344.499 2.732 20 0 EFADHO O=C1C[C@H]([NH2+]CC2CCN(Cc3ccccc3Cl)CC2)CCCN1 ZINC000638530447 480766589 /nfs/dbraw/zinc/76/65/89/480766589.db2.gz LOWBNSQIKFOGDL-QGZVFWFLSA-N 1 3 349.906 2.810 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000638552094 480776613 /nfs/dbraw/zinc/77/66/13/480776613.db2.gz NRJNJSDLUFHJAL-IBGZPJMESA-N 1 3 346.519 2.586 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638565826 480783268 /nfs/dbraw/zinc/78/32/68/480783268.db2.gz XLUQPXPJYAXYDU-YLJYHZDGSA-N 1 3 345.531 2.647 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638565826 480783273 /nfs/dbraw/zinc/78/32/73/480783273.db2.gz XLUQPXPJYAXYDU-YLJYHZDGSA-N 1 3 345.531 2.647 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(CC(C)(C)O)CC2)C1 ZINC000638565824 480783746 /nfs/dbraw/zinc/78/37/46/480783746.db2.gz XLUQPXPJYAXYDU-PXNSSMCTSA-N 1 3 345.531 2.647 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638565824 480783749 /nfs/dbraw/zinc/78/37/49/480783749.db2.gz XLUQPXPJYAXYDU-PXNSSMCTSA-N 1 3 345.531 2.647 20 0 EFADHO COC[C@@](C)(O)C[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638584584 480787828 /nfs/dbraw/zinc/78/78/28/480787828.db2.gz UEJUYQQEVARYLN-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@](C)(O)CNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638584584 480787836 /nfs/dbraw/zinc/78/78/36/480787836.db2.gz UEJUYQQEVARYLN-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@](C)(O)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638584584 480787842 /nfs/dbraw/zinc/78/78/42/480787842.db2.gz UEJUYQQEVARYLN-SFTDATJTSA-N 1 3 348.531 2.912 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCc2ccccc2)CC1)CC(C)(C)C ZINC000635278203 480802641 /nfs/dbraw/zinc/80/26/41/480802641.db2.gz MNPWWISOUZIVIA-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624545628 480812235 /nfs/dbraw/zinc/81/22/35/480812235.db2.gz KJSIJBMDNOICSU-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624546955 480812413 /nfs/dbraw/zinc/81/24/13/480812413.db2.gz NQOVTZKUSPDNSN-IPMKNSEASA-N 1 3 348.535 2.662 20 0 EFADHO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000624546955 480812416 /nfs/dbraw/zinc/81/24/16/480812416.db2.gz NQOVTZKUSPDNSN-IPMKNSEASA-N 1 3 348.535 2.662 20 0 EFADHO COC[C@H](CCO)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638651596 480813234 /nfs/dbraw/zinc/81/32/34/480813234.db2.gz XZFCKVPYYQTPPQ-PZJWPPBQSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@H](CCO)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638651596 480813240 /nfs/dbraw/zinc/81/32/40/480813240.db2.gz XZFCKVPYYQTPPQ-PZJWPPBQSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@H](CCO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638651596 480813245 /nfs/dbraw/zinc/81/32/45/480813245.db2.gz XZFCKVPYYQTPPQ-PZJWPPBQSA-N 1 3 348.531 2.912 20 0 EFADHO CSc1ccc(F)cc1C[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638701344 480837249 /nfs/dbraw/zinc/83/72/49/480837249.db2.gz DNFXNWUYTKSOPB-UHFFFAOYSA-N 1 3 326.481 2.873 20 0 EFADHO CO[C@@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)CC(C)C ZINC000638718596 480840296 /nfs/dbraw/zinc/84/02/96/480840296.db2.gz IWLUIQIBJRMZES-HXUWFJFHSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@H](CNCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723611 480843115 /nfs/dbraw/zinc/84/31/15/480843115.db2.gz QOIZGVBRNCFHEX-FXAWDEMLSA-N 1 3 334.504 2.928 20 0 EFADHO CO[C@H](CNCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723611 480843120 /nfs/dbraw/zinc/84/31/20/480843120.db2.gz QOIZGVBRNCFHEX-FXAWDEMLSA-N 1 3 334.504 2.928 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638736929 480846956 /nfs/dbraw/zinc/84/69/56/480846956.db2.gz BETDHBGTABFPEV-UHFFFAOYSA-N 1 3 346.302 2.901 20 0 EFADHO Cc1ccc(OC(F)F)c(C[NH2+]C2CCN(CC(C)(C)O)CC2)c1 ZINC000638742867 480848579 /nfs/dbraw/zinc/84/85/79/480848579.db2.gz FHFCMPJPKMXFDQ-UHFFFAOYSA-N 1 3 342.430 2.921 20 0 EFADHO CO[C@H](C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000638749703 480851410 /nfs/dbraw/zinc/85/14/10/480851410.db2.gz LLZHXEILHOMTOS-ACRUOGEOSA-N 1 3 346.515 2.602 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000638762017 480856328 /nfs/dbraw/zinc/85/63/28/480856328.db2.gz PSXYRXJUVLHFQI-QAKNJHSXSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000638762017 480856332 /nfs/dbraw/zinc/85/63/32/480856332.db2.gz PSXYRXJUVLHFQI-QAKNJHSXSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000641180944 480857900 /nfs/dbraw/zinc/85/79/00/480857900.db2.gz IWBUKVHHOOSXEU-NZSAHSFTSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)[C@@H](N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179932 480858109 /nfs/dbraw/zinc/85/81/09/480858109.db2.gz WYXXGZDHWXWBKU-LJQANCHMSA-N 1 3 327.476 2.968 20 0 EFADHO CC(C)[C@H](N)c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179287 480858344 /nfs/dbraw/zinc/85/83/44/480858344.db2.gz JJBQPFUYDSMFMU-IBGZPJMESA-N 1 3 327.476 2.968 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000638800021 480872810 /nfs/dbraw/zinc/87/28/10/480872810.db2.gz IUAPALYABSIQJE-QGZVFWFLSA-N 1 3 335.451 2.542 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc2c1CNC2 ZINC000638800021 480872816 /nfs/dbraw/zinc/87/28/16/480872816.db2.gz IUAPALYABSIQJE-QGZVFWFLSA-N 1 3 335.451 2.542 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C23CCC[NH+](CCC2)C3)N(C)C)cc1 ZINC000635438136 480877646 /nfs/dbraw/zinc/87/76/46/480877646.db2.gz XLEQKIFRWQSKLR-SFHVURJKSA-N 1 3 329.488 2.590 20 0 EFADHO CC[C@@H](N)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638808949 480878668 /nfs/dbraw/zinc/87/86/68/480878668.db2.gz QTHWMDJXULPXMO-XUVXKRRUSA-N 1 3 337.467 2.508 20 0 EFADHO CC[C@@H](N)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000638808949 480878674 /nfs/dbraw/zinc/87/86/74/480878674.db2.gz QTHWMDJXULPXMO-XUVXKRRUSA-N 1 3 337.467 2.508 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645526111 480880932 /nfs/dbraw/zinc/88/09/32/480880932.db2.gz DLPAQWBARNNYAA-JTDSTZFVSA-N 1 3 343.515 2.779 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645526111 480880936 /nfs/dbraw/zinc/88/09/36/480880936.db2.gz DLPAQWBARNNYAA-JTDSTZFVSA-N 1 3 343.515 2.779 20 0 EFADHO Cc1nnsc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638831448 480887463 /nfs/dbraw/zinc/88/74/63/480887463.db2.gz LMILNMRGVUHOBN-UHFFFAOYSA-N 1 3 346.500 2.653 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC(C)(C)[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638833445 480889680 /nfs/dbraw/zinc/88/96/80/480889680.db2.gz XQTRFKDITXSWLJ-CYBMUJFWSA-N 1 3 331.382 2.552 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836202 480890436 /nfs/dbraw/zinc/89/04/36/480890436.db2.gz RMJMONATWPCMQY-HRAATJIYSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836202 480890438 /nfs/dbraw/zinc/89/04/38/480890438.db2.gz RMJMONATWPCMQY-HRAATJIYSA-N 1 3 349.478 2.788 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1CCCCCN(Cc2ccccc2)C1 ZINC000638850328 480894734 /nfs/dbraw/zinc/89/47/34/480894734.db2.gz DGJSNIRKNAUZJL-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000638852278 480897247 /nfs/dbraw/zinc/89/72/47/480897247.db2.gz WZGUERCZQXHUSW-MOPGFXCFSA-N 1 3 327.472 2.595 20 0 EFADHO [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000638852281 480897352 /nfs/dbraw/zinc/89/73/52/480897352.db2.gz WZGUERCZQXHUSW-RTBURBONSA-N 1 3 327.472 2.595 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[NH+]2CCC(C)CC2)CCOC1 ZINC000638854113 480897826 /nfs/dbraw/zinc/89/78/26/480897826.db2.gz PGWXRHOIQHVIPN-FQEVSTJZSA-N 1 3 332.488 2.814 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638854494 480898955 /nfs/dbraw/zinc/89/89/55/480898955.db2.gz VTPQLQNNYMSECG-ROUUACIJSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856097 480899094 /nfs/dbraw/zinc/89/90/94/480899094.db2.gz UTLJYHXOYPYMKW-SJLPKXTDSA-N 1 3 341.499 2.532 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000638856097 480899098 /nfs/dbraw/zinc/89/90/98/480899098.db2.gz UTLJYHXOYPYMKW-SJLPKXTDSA-N 1 3 341.499 2.532 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000638948237 480919085 /nfs/dbraw/zinc/91/90/85/480919085.db2.gz LSQPCPFREPLTOX-IEZWGBDMSA-N 1 3 347.478 2.671 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000638948238 480919113 /nfs/dbraw/zinc/91/91/13/480919113.db2.gz LSQPCPFREPLTOX-SZVBFZGTSA-N 1 3 347.478 2.671 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638967256 480921641 /nfs/dbraw/zinc/92/16/41/480921641.db2.gz LSYMFPZTRDOERV-HDJSIYSDSA-N 1 3 329.444 2.742 20 0 EFADHO CO[C@H](CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC(C)C ZINC000638970689 480922465 /nfs/dbraw/zinc/92/24/65/480922465.db2.gz NLUOCKXKRHXXQX-PMACEKPBSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@H](CNCc1ccccc1C[N@H+]1CCC[C@H]1CO)CC(C)C ZINC000638970689 480922468 /nfs/dbraw/zinc/92/24/68/480922468.db2.gz NLUOCKXKRHXXQX-PMACEKPBSA-N 1 3 334.504 2.794 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)cc1 ZINC000639002139 480928338 /nfs/dbraw/zinc/92/83/38/480928338.db2.gz XOSXQXDAHKKOAW-PZJWPPBQSA-N 1 3 349.478 2.920 20 0 EFADHO CC1(C)CN[C@H]1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000645802060 480934067 /nfs/dbraw/zinc/93/40/67/480934067.db2.gz JFXVWNVAGCRZFS-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)C ZINC000639092589 480947698 /nfs/dbraw/zinc/94/76/98/480947698.db2.gz XLUQRXHLTAYIFO-YLJYHZDGSA-N 1 3 347.547 2.811 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1)N(C)C ZINC000639092589 480947700 /nfs/dbraw/zinc/94/77/00/480947700.db2.gz XLUQRXHLTAYIFO-YLJYHZDGSA-N 1 3 347.547 2.811 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)C ZINC000639092586 480947714 /nfs/dbraw/zinc/94/77/14/480947714.db2.gz XLUQRXHLTAYIFO-FXAWDEMLSA-N 1 3 347.547 2.811 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC1CC[NH+](CC(C)(C)O)CC1)N(C)C ZINC000639092586 480947716 /nfs/dbraw/zinc/94/77/16/480947716.db2.gz XLUQRXHLTAYIFO-FXAWDEMLSA-N 1 3 347.547 2.811 20 0 EFADHO O=C(NC1CC1)c1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000647483580 480961585 /nfs/dbraw/zinc/96/15/85/480961585.db2.gz WNMDITDEVBHAJW-IBGZPJMESA-N 1 3 327.472 2.543 20 0 EFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000647503963 480969506 /nfs/dbraw/zinc/96/95/06/480969506.db2.gz YSAGBZFVEOETGT-UHFFFAOYSA-N 1 3 328.460 2.907 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666616101 480985236 /nfs/dbraw/zinc/98/52/36/480985236.db2.gz OOBBZEQCUNOBCH-ROUUACIJSA-N 1 3 331.504 2.509 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCO2 ZINC000647542750 480989962 /nfs/dbraw/zinc/98/99/62/480989962.db2.gz BKEDKSJMDPYRIW-GJZGRUSLSA-N 1 3 332.444 2.636 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647542214 480991154 /nfs/dbraw/zinc/99/11/54/480991154.db2.gz ZEVQBIGWCCFGJF-QGZVFWFLSA-N 1 3 340.471 2.907 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCO2 ZINC000647543107 480993204 /nfs/dbraw/zinc/99/32/04/480993204.db2.gz HTTHOQKHZBSHJO-HZPDHXFCSA-N 1 3 332.444 2.636 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc(-c2cccc(F)c2)no1 ZINC000647551577 480997833 /nfs/dbraw/zinc/99/78/33/480997833.db2.gz WGGXTTWCVDCYTL-ZGMNHVEMSA-N 1 3 330.407 2.914 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nc2ccccc2o1 ZINC000639171011 481013712 /nfs/dbraw/zinc/01/37/12/481013712.db2.gz NWEDIJIHIJNJCJ-MRXNPFEDSA-N 1 3 330.476 2.676 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1nc2ccccc2o1 ZINC000639171011 481013719 /nfs/dbraw/zinc/01/37/19/481013719.db2.gz NWEDIJIHIJNJCJ-MRXNPFEDSA-N 1 3 330.476 2.676 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2ncccc12 ZINC000639169919 481014530 /nfs/dbraw/zinc/01/45/30/481014530.db2.gz MXAVCRGYNNAUEK-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc2ncccc12 ZINC000639169919 481014539 /nfs/dbraw/zinc/01/45/39/481014539.db2.gz MXAVCRGYNNAUEK-UHFFFAOYSA-N 1 3 326.488 2.693 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663236 481019212 /nfs/dbraw/zinc/01/92/12/481019212.db2.gz LIYNWSOTEYYBBA-UHOSZYNNSA-N 1 3 348.535 2.662 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666663236 481019221 /nfs/dbraw/zinc/01/92/21/481019221.db2.gz LIYNWSOTEYYBBA-UHOSZYNNSA-N 1 3 348.535 2.662 20 0 EFADHO COc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cn1cccn1 ZINC000639177204 481020557 /nfs/dbraw/zinc/02/05/57/481020557.db2.gz BJPUBTPVDYRRNF-VQIMIIECSA-N 1 3 342.487 2.712 20 0 EFADHO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cn1cccn1 ZINC000639177204 481020563 /nfs/dbraw/zinc/02/05/63/481020563.db2.gz BJPUBTPVDYRRNF-VQIMIIECSA-N 1 3 342.487 2.712 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccsc1 ZINC000669279404 481030291 /nfs/dbraw/zinc/03/02/91/481030291.db2.gz DXDTWZYWNRRABC-OAHLLOKOSA-N 1 3 338.521 2.654 20 0 EFADHO C[C@H](CN1CCCC[C@@H]1[C@@H](C)CO)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447867 481031520 /nfs/dbraw/zinc/03/15/20/481031520.db2.gz ZPEOVLYRTWYRBV-USYVTKNRSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCCC[C@@H]1[C@@H](C)CO)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661447867 481031524 /nfs/dbraw/zinc/03/15/24/481031524.db2.gz ZPEOVLYRTWYRBV-USYVTKNRSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CO)[C@H]1CCCC[N@H+]1C[C@@H](C)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661447867 481031531 /nfs/dbraw/zinc/03/15/31/481031531.db2.gz ZPEOVLYRTWYRBV-USYVTKNRSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](C)CN1CCCC[C@@H]1[C@H](C)CO ZINC000661447867 481031536 /nfs/dbraw/zinc/03/15/36/481031536.db2.gz ZPEOVLYRTWYRBV-USYVTKNRSA-N 1 3 340.552 2.588 20 0 EFADHO CO[C@@]1(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CCOC1 ZINC000639196415 481037499 /nfs/dbraw/zinc/03/74/99/481037499.db2.gz ZQKZHDCZQIYKHI-WOJBJXKFSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@@]1(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196415 481037506 /nfs/dbraw/zinc/03/75/06/481037506.db2.gz ZQKZHDCZQIYKHI-WOJBJXKFSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@@]1(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196415 481037511 /nfs/dbraw/zinc/03/75/11/481037511.db2.gz ZQKZHDCZQIYKHI-WOJBJXKFSA-N 1 3 332.488 2.684 20 0 EFADHO C/C=C/C[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000641748295 481049291 /nfs/dbraw/zinc/04/92/91/481049291.db2.gz PWQZTWSTUVESTP-WRFKIARRSA-N 1 3 331.504 2.634 20 0 EFADHO C/C=C/C[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000641748295 481049299 /nfs/dbraw/zinc/04/92/99/481049299.db2.gz PWQZTWSTUVESTP-WRFKIARRSA-N 1 3 331.504 2.634 20 0 EFADHO CC1CCN(CCNC(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000641753189 481051487 /nfs/dbraw/zinc/05/14/87/481051487.db2.gz AWQOQSMKZVZFID-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000661504208 481078295 /nfs/dbraw/zinc/07/82/95/481078295.db2.gz BZFJBYVQYHEDGR-RYRKJORJSA-N 1 3 348.535 2.518 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000661504208 481078301 /nfs/dbraw/zinc/07/83/01/481078301.db2.gz BZFJBYVQYHEDGR-RYRKJORJSA-N 1 3 348.535 2.518 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000653106607 481081103 /nfs/dbraw/zinc/08/11/03/481081103.db2.gz FMKIQZPLBYMMQP-APWZRJJASA-N 1 3 347.503 2.584 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000653106609 481081319 /nfs/dbraw/zinc/08/13/19/481081319.db2.gz FMKIQZPLBYMMQP-QFBILLFUSA-N 1 3 347.503 2.584 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653107867 481083412 /nfs/dbraw/zinc/08/34/12/481083412.db2.gz AAWJARYHRWIOJG-UXHICEINSA-N 1 3 341.499 2.606 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653114847 481088426 /nfs/dbraw/zinc/08/84/26/481088426.db2.gz YMWXNFXTOLRLEW-OAHLLOKOSA-N 1 3 330.476 2.521 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000641801178 481088593 /nfs/dbraw/zinc/08/85/93/481088593.db2.gz AWBCGIVYRIZTLQ-OLZOCXBDSA-N 1 3 331.229 2.682 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653117752 481090163 /nfs/dbraw/zinc/09/01/63/481090163.db2.gz VBFAADGZZSPPPM-SJLPKXTDSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653117441 481090224 /nfs/dbraw/zinc/09/02/24/481090224.db2.gz LYDJPOMUWSCWMW-XPGWFJOJSA-N 1 3 341.499 2.859 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653119231 481092088 /nfs/dbraw/zinc/09/20/88/481092088.db2.gz BVQQWTNRZWWJRR-YZGWKJHDSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000646106462 481093650 /nfs/dbraw/zinc/09/36/50/481093650.db2.gz ZKXIDUADFABNQO-PZJWPPBQSA-N 1 3 349.478 2.606 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000646106462 481093658 /nfs/dbraw/zinc/09/36/58/481093658.db2.gz ZKXIDUADFABNQO-PZJWPPBQSA-N 1 3 349.478 2.606 20 0 EFADHO C[C@H](CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000646105961 481094683 /nfs/dbraw/zinc/09/46/83/481094683.db2.gz NMGPXELWGZLQDW-HOJAQTOUSA-N 1 3 343.515 2.745 20 0 EFADHO OCC1CCN(Cc2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000647791206 481107898 /nfs/dbraw/zinc/10/78/98/481107898.db2.gz AQPQBDOTBQCRAQ-QKNQBKEWSA-N 1 3 343.515 2.691 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420563 481109536 /nfs/dbraw/zinc/10/95/36/481109536.db2.gz PYRJAAWFJUQKHQ-RTBURBONSA-N 1 3 346.519 2.571 20 0 EFADHO CC1([NH3+])CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000669419850 481110739 /nfs/dbraw/zinc/11/07/39/481110739.db2.gz OIJZDZGOEMAAJL-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO FC(F)(F)COc1cnccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796624 481111917 /nfs/dbraw/zinc/11/19/17/481111917.db2.gz GWQOAXZMCMRHMD-IACUBPJLSA-N 1 3 329.366 2.500 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C(C[C@@H]2CCCO2)C(F)(F)F)C1 ZINC000653165111 481120623 /nfs/dbraw/zinc/12/06/23/481120623.db2.gz PIXBSMZKEHJANK-RDBSUJKOSA-N 1 3 342.361 2.651 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653168887 481123337 /nfs/dbraw/zinc/12/33/37/481123337.db2.gz SNWSHYQKYOXHGK-SFHVURJKSA-N 1 3 344.503 2.536 20 0 EFADHO CCCCCN(CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)Cc1ccccc1 ZINC000653200668 481147114 /nfs/dbraw/zinc/14/71/14/481147114.db2.gz LQTYCPSZRSEFTC-TZIWHRDSSA-N 1 3 343.515 2.795 20 0 EFADHO CC[C@@H]1CN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669479713 481147140 /nfs/dbraw/zinc/14/71/40/481147140.db2.gz PKRXVYVOVXHHET-JZXOWHBKSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000669479685 481147337 /nfs/dbraw/zinc/14/73/37/481147337.db2.gz IWXGPXKPEQYZIY-WBVHZDCISA-N 1 3 332.492 2.557 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC(C)([NH3+])CC1)c1ccccc1 ZINC000669479668 481147733 /nfs/dbraw/zinc/14/77/33/481147733.db2.gz CQJZYTVEGZORTB-OAHLLOKOSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@@]1(C[NH3+])CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483550 481150127 /nfs/dbraw/zinc/15/01/27/481150127.db2.gz AYTREBJRDXEJCD-ICSRJNTNSA-N 1 3 344.503 2.594 20 0 EFADHO C[C@]1(C[NH3+])CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483552 481150317 /nfs/dbraw/zinc/15/03/17/481150317.db2.gz AYTREBJRDXEJCD-UYAOXDASSA-N 1 3 344.503 2.594 20 0 EFADHO C[C@]1(C[NH3+])CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483549 481150795 /nfs/dbraw/zinc/15/07/95/481150795.db2.gz AYTREBJRDXEJCD-AZUAARDMSA-N 1 3 344.503 2.594 20 0 EFADHO [NH3+]C[C@H]1CCCCN1C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483819 481153327 /nfs/dbraw/zinc/15/33/27/481153327.db2.gz NYTGXLQYWYLMFB-RTBURBONSA-N 1 3 344.503 2.736 20 0 EFADHO O=C(c1ccccc1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647878649 481153812 /nfs/dbraw/zinc/15/38/12/481153812.db2.gz WLRSTVSLGFKFRF-UHFFFAOYSA-N 1 3 329.488 2.614 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]CCCc1cnn(C)c1 ZINC000639360544 481155143 /nfs/dbraw/zinc/15/51/43/481155143.db2.gz XOEXJHQRAUBXMY-PXNSSMCTSA-N 1 3 326.488 2.710 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669487054 481155195 /nfs/dbraw/zinc/15/51/95/481155195.db2.gz CFHZDKOGMVXKND-VQIMIIECSA-N 1 3 344.503 2.653 20 0 EFADHO CCCN(C[C@@H]1CC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000647882824 481155330 /nfs/dbraw/zinc/15/53/30/481155330.db2.gz CBRCQHBHKQQLHX-QGZVFWFLSA-N 1 3 329.488 2.613 20 0 EFADHO CCCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCN(C)C1 ZINC000646227075 481168249 /nfs/dbraw/zinc/16/82/49/481168249.db2.gz DKUSWXPORGVPRV-QGZVFWFLSA-N 1 3 348.491 2.575 20 0 EFADHO COc1ccccc1[C@@H](N)CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000669508763 481169707 /nfs/dbraw/zinc/16/97/07/481169707.db2.gz NWRMCZHLFAAXCD-WMZOPIPTSA-N 1 3 341.455 2.537 20 0 EFADHO CCCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000642195539 481170901 /nfs/dbraw/zinc/17/09/01/481170901.db2.gz AXCBAVHNPCSZOX-UHFFFAOYSA-N 1 3 331.504 2.689 20 0 EFADHO C[C@@H]1CCCN(C(=O)c2cccc(CN3CCCC3)c2)[C@H]1CC[NH3+] ZINC000653240424 481172419 /nfs/dbraw/zinc/17/24/19/481172419.db2.gz NRTUNNVGFKBFAV-APWZRJJASA-N 1 3 329.488 2.872 20 0 EFADHO N[C@H](CC(F)F)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253300 481181861 /nfs/dbraw/zinc/18/18/61/481181861.db2.gz ODYGNDPLVVHTRS-CQSZACIVSA-N 1 3 343.443 2.796 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669562530 481209026 /nfs/dbraw/zinc/20/90/26/481209026.db2.gz DMCUWINIBMBBHE-RBUKOAKNSA-N 1 3 346.519 2.584 20 0 EFADHO CCOc1cccc(CN[C@@H]2CC23CC[NH2+]CC3)c1OC(F)F ZINC000666950817 481214970 /nfs/dbraw/zinc/21/49/70/481214970.db2.gz JTKSTPKIXJTEKR-CQSZACIVSA-N 1 3 326.387 2.918 20 0 EFADHO COc1cc(CN[C@H]2CC23CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000666954138 481217022 /nfs/dbraw/zinc/21/70/22/481217022.db2.gz QTBGIWPCAARQPS-HNNXBMFYSA-N 1 3 344.377 2.868 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965619 481219157 /nfs/dbraw/zinc/21/91/57/481219157.db2.gz CNTYEHSPMVTWIY-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965619 481219163 /nfs/dbraw/zinc/21/91/63/481219163.db2.gz CNTYEHSPMVTWIY-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965619 481219169 /nfs/dbraw/zinc/21/91/69/481219169.db2.gz CNTYEHSPMVTWIY-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965619 481219174 /nfs/dbraw/zinc/21/91/74/481219174.db2.gz CNTYEHSPMVTWIY-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(C)([NH3+])CC1)N(C)C ZINC000669583445 481224884 /nfs/dbraw/zinc/22/48/84/481224884.db2.gz CUZJMQKZRSHBPZ-DOTOQJQBSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc(CN(C)C)c1 ZINC000664394544 481224939 /nfs/dbraw/zinc/22/49/39/481224939.db2.gz BHJCXRDMAUTORT-MRXNPFEDSA-N 1 3 332.492 2.990 20 0 EFADHO Cc1ccc(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647975239 481225132 /nfs/dbraw/zinc/22/51/32/481225132.db2.gz RXJYSZLMARJWLK-ZWKOTPCHSA-N 1 3 329.488 2.954 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccc(Cl)cc1 ZINC000647975021 481225414 /nfs/dbraw/zinc/22/54/14/481225414.db2.gz HSJGLYLINBJOKW-DLBZAZTESA-N 1 3 349.906 2.668 20 0 EFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647974904 481225752 /nfs/dbraw/zinc/22/57/52/481225752.db2.gz AXJJEHJHZQHCMS-MSOLQXFVSA-N 1 3 329.488 2.954 20 0 EFADHO C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975144 481225958 /nfs/dbraw/zinc/22/59/58/481225958.db2.gz MRNSVXMAGVLGDM-NZSAHSFTSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cccs1 ZINC000647975415 481227499 /nfs/dbraw/zinc/22/74/99/481227499.db2.gz AACFJVLUEDEIHZ-XHSDSOJGSA-N 1 3 335.517 2.637 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc2c(c1)CCC2 ZINC000647975900 481227927 /nfs/dbraw/zinc/22/79/27/481227927.db2.gz HKMSAYAZBGDOSD-RTBURBONSA-N 1 3 341.499 2.825 20 0 EFADHO O=c1[nH]c2ccccc2n1CCCN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975603 481229008 /nfs/dbraw/zinc/22/90/08/481229008.db2.gz CNQZTPDUJMXANN-SJORKVTESA-N 1 3 342.487 2.844 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975512 481229032 /nfs/dbraw/zinc/22/90/32/481229032.db2.gz BFWQUJQUBPPTIM-HBFSDRIKSA-N 1 3 341.499 2.718 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976354 481230314 /nfs/dbraw/zinc/23/03/14/481230314.db2.gz NIDNGYDNLQJDGI-IHPCNDPISA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976046 481230914 /nfs/dbraw/zinc/23/09/14/481230914.db2.gz JGPRNFVKAHLERE-SPOLIRPYSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975982 481231088 /nfs/dbraw/zinc/23/10/88/481231088.db2.gz IKRLPAFXONLCKH-BZUAXINKSA-N 1 3 333.451 2.864 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977094 481231177 /nfs/dbraw/zinc/23/11/77/481231177.db2.gz XTXLLIFTBSFTAM-NZSAHSFTSA-N 1 3 341.499 2.676 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977665 481233258 /nfs/dbraw/zinc/23/32/58/481233258.db2.gz FXHFTAMXEXKMIZ-CHWSQXEVSA-N 1 3 326.378 2.615 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977744 481235134 /nfs/dbraw/zinc/23/51/34/481235134.db2.gz GZGIAYZRHMQPQF-YRXWBPOGSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000647978813 481236492 /nfs/dbraw/zinc/23/64/92/481236492.db2.gz YMCSGLWEYUQBHL-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978753 481236596 /nfs/dbraw/zinc/23/65/96/481236596.db2.gz XQPROIQVVWVJJC-RTBURBONSA-N 1 3 329.488 2.600 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000669614905 481241750 /nfs/dbraw/zinc/24/17/50/481241750.db2.gz VAZHMKISPBVYBC-UZLBHIALSA-N 1 3 343.515 2.831 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650657394 481244242 /nfs/dbraw/zinc/24/42/42/481244242.db2.gz YFNCECJETCGFEX-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CCN2CCCCC2)C1 ZINC000650657394 481244250 /nfs/dbraw/zinc/24/42/50/481244250.db2.gz YFNCECJETCGFEX-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NCC1(N(C)C)CC1 ZINC000639496972 481255342 /nfs/dbraw/zinc/25/53/42/481255342.db2.gz PPZFPNDZOBRXIA-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000650706152 481275709 /nfs/dbraw/zinc/27/57/09/481275709.db2.gz FHZGPPLVSNMOQH-NUEKZKHPSA-N 1 3 346.500 2.857 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cccc4c3OCCCO4)C2)C1 ZINC000650706275 481276030 /nfs/dbraw/zinc/27/60/30/481276030.db2.gz HSNIOLMNDAJVKM-WDYCEAGBSA-N 1 3 346.471 2.566 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000650708234 481278043 /nfs/dbraw/zinc/27/80/43/481278043.db2.gz WAAFKZZCNUSJOS-XKQJLSEDSA-N 1 3 346.500 2.857 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646409904 481280695 /nfs/dbraw/zinc/28/06/95/481280695.db2.gz DETGZWMRJYFYSS-MJGOQNOKSA-N 1 3 329.488 2.720 20 0 EFADHO Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)o1 ZINC000648038861 481283889 /nfs/dbraw/zinc/28/38/89/481283889.db2.gz NCBBNTUNCDASNE-IBGZPJMESA-N 1 3 328.460 2.906 20 0 EFADHO Cc1ccc(-c2nn(C)cc2C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)o1 ZINC000648038861 481283894 /nfs/dbraw/zinc/28/38/94/481283894.db2.gz NCBBNTUNCDASNE-IBGZPJMESA-N 1 3 328.460 2.906 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCc1ccc(C[NH3+])cc1F ZINC000650717874 481286521 /nfs/dbraw/zinc/28/65/21/481286521.db2.gz POCYVEXSXFEJSU-QRWLVFNGSA-N 1 3 327.447 2.895 20 0 EFADHO Cc1cccn2c(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)cnc12 ZINC000650722913 481291288 /nfs/dbraw/zinc/29/12/88/481291288.db2.gz DLFKWJQVJZAVGZ-NXHRZFHOSA-N 1 3 328.460 2.504 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(N3CCCC3)nc2)C1 ZINC000650723889 481292370 /nfs/dbraw/zinc/29/23/70/481292370.db2.gz VOLDXUZZCCBDNZ-CEXWTWQISA-N 1 3 344.503 2.543 20 0 EFADHO CCn1nc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c2ccccc21 ZINC000650723866 481292637 /nfs/dbraw/zinc/29/26/37/481292637.db2.gz VDIRFKBXOQRLJQ-CWFSZBLJSA-N 1 3 342.487 2.917 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(N3CCCC3)nc2)C1 ZINC000650723892 481293120 /nfs/dbraw/zinc/29/31/20/481293120.db2.gz VOLDXUZZCCBDNZ-QYZOEREBSA-N 1 3 344.503 2.543 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659246404 481305292 /nfs/dbraw/zinc/30/52/92/481305292.db2.gz JOSAGIWXGLAVDQ-DOTOQJQBSA-N 1 3 327.472 2.600 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NCc1ccc(C[NH3+])cc1F ZINC000650752066 481315778 /nfs/dbraw/zinc/31/57/78/481315778.db2.gz IKPMERRALICEJV-ZDUSSCGKSA-N 1 3 345.418 2.800 20 0 EFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000650764616 481326488 /nfs/dbraw/zinc/32/64/88/481326488.db2.gz GEIISTGRZXEIGB-BZZMCLGOSA-N 1 3 329.488 2.663 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659279479 481331132 /nfs/dbraw/zinc/33/11/32/481331132.db2.gz ANKVYCSGDDWPCE-GOSISDBHSA-N 1 3 341.499 2.629 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CC2(CCC2)C1 ZINC000659279479 481331145 /nfs/dbraw/zinc/33/11/45/481331145.db2.gz ANKVYCSGDDWPCE-GOSISDBHSA-N 1 3 341.499 2.629 20 0 EFADHO CCN1CCC[C@H]1CN(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659283636 481333848 /nfs/dbraw/zinc/33/38/48/481333848.db2.gz AIFXAMKMEJXDCX-MSOLQXFVSA-N 1 3 329.488 2.622 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3cccc4c3CCNC4)cc21 ZINC000659295597 481343701 /nfs/dbraw/zinc/34/37/01/481343701.db2.gz DZFHJUDAWWMJHA-MRXNPFEDSA-N 1 3 335.451 2.963 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000648151528 481345197 /nfs/dbraw/zinc/34/51/97/481345197.db2.gz OHUYGYADZHOSSM-DOTOQJQBSA-N 1 3 337.895 2.605 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659309487 481352105 /nfs/dbraw/zinc/35/21/05/481352105.db2.gz KYCNWTRGYFYMHS-KRWDZBQOSA-N 1 3 325.387 2.645 20 0 EFADHO CC(C)[NH2+]CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000659307516 481352316 /nfs/dbraw/zinc/35/23/16/481352316.db2.gz OKUMIKSSQMISMA-UHFFFAOYSA-N 1 3 345.409 2.594 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659320078 481360657 /nfs/dbraw/zinc/36/06/57/481360657.db2.gz YZHVUILJVDXWKI-HNAYVOBHSA-N 1 3 343.515 2.868 20 0 EFADHO NC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC2(CCC2)C1 ZINC000659320342 481361612 /nfs/dbraw/zinc/36/16/12/481361612.db2.gz GAGJEZBXWSPSAN-UHFFFAOYSA-N 1 3 327.472 2.925 20 0 EFADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000659325816 481362967 /nfs/dbraw/zinc/36/29/67/481362967.db2.gz MZENAPWBBHKMNZ-WIYYLYMNSA-N 1 3 349.478 2.764 20 0 EFADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000659325813 481363705 /nfs/dbraw/zinc/36/37/05/481363705.db2.gz MZENAPWBBHKMNZ-GHTZIAJQSA-N 1 3 349.478 2.764 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H]3CCN(CC4CC4)C3)ccc21 ZINC000653618197 481365726 /nfs/dbraw/zinc/36/57/26/481365726.db2.gz PHROYXQDCFAXQX-MJGOQNOKSA-N 1 3 342.487 2.841 20 0 EFADHO CCN1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](C)C1 ZINC000653616556 481366991 /nfs/dbraw/zinc/36/69/91/481366991.db2.gz GPVFHBNJJLWLAV-KKXDTOCCSA-N 1 3 330.476 2.697 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC([C@@H]3CCCCO3)CC2)CC1 ZINC000661866742 481377170 /nfs/dbraw/zinc/37/71/70/481377170.db2.gz KHUAWRQCZDZVEO-FQEVSTJZSA-N 1 3 337.552 2.684 20 0 EFADHO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CNC1CC1 ZINC000659357387 481382035 /nfs/dbraw/zinc/38/20/35/481382035.db2.gz ZOYOXFAAXIAJSE-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000661899598 481403160 /nfs/dbraw/zinc/40/31/60/481403160.db2.gz YCEDXZRRAZWXPC-MJGOQNOKSA-N 1 3 346.519 2.709 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646610630 481404638 /nfs/dbraw/zinc/40/46/38/481404638.db2.gz DJCAHSSXORJZQI-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646610630 481404652 /nfs/dbraw/zinc/40/46/52/481404652.db2.gz DJCAHSSXORJZQI-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646610627 481404938 /nfs/dbraw/zinc/40/49/38/481404938.db2.gz DJCAHSSXORJZQI-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCN1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646610627 481404950 /nfs/dbraw/zinc/40/49/50/481404950.db2.gz DJCAHSSXORJZQI-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CC[NH2+]CCCNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000646625129 481409244 /nfs/dbraw/zinc/40/92/44/481409244.db2.gz QZHMSOHSWXGYLZ-KRWDZBQOSA-N 1 3 347.503 2.669 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000650877510 481409373 /nfs/dbraw/zinc/40/93/73/481409373.db2.gz XSSBJJRWVVBSOJ-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000650877510 481409381 /nfs/dbraw/zinc/40/93/81/481409381.db2.gz XSSBJJRWVVBSOJ-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000653699818 481415789 /nfs/dbraw/zinc/41/57/89/481415789.db2.gz QWPDLUUIMXJGFX-LJQANCHMSA-N 1 3 329.488 2.725 20 0 EFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)NCC1CCCCC1 ZINC000639683266 481426209 /nfs/dbraw/zinc/42/62/09/481426209.db2.gz UUSBESAKHIHWGR-UHFFFAOYSA-N 1 3 344.503 2.680 20 0 EFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)NCC1CCCCC1 ZINC000639683266 481426215 /nfs/dbraw/zinc/42/62/15/481426215.db2.gz UUSBESAKHIHWGR-UHFFFAOYSA-N 1 3 344.503 2.680 20 0 EFADHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646678894 481430046 /nfs/dbraw/zinc/43/00/46/481430046.db2.gz HMRZERKJWIHYIX-HXUWFJFHSA-N 1 3 343.515 2.543 20 0 EFADHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000646678894 481430051 /nfs/dbraw/zinc/43/00/51/481430051.db2.gz HMRZERKJWIHYIX-HXUWFJFHSA-N 1 3 343.515 2.543 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[NH+](C)C ZINC000664709292 481431012 /nfs/dbraw/zinc/43/10/12/481431012.db2.gz AXUMCIQIFHUSEX-APWZRJJASA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000659434829 481432651 /nfs/dbraw/zinc/43/26/51/481432651.db2.gz COPJLYKZOCYDAR-NEWSRXKRSA-N 1 3 344.503 2.592 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH3+])CCCC1)c1ccsc1 ZINC000659434301 481433431 /nfs/dbraw/zinc/43/34/31/481433431.db2.gz KYUIRCQZLJASSQ-OAHLLOKOSA-N 1 3 338.521 2.702 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000659460573 481448894 /nfs/dbraw/zinc/44/88/94/481448894.db2.gz YLNIUHFKKIWRIA-ZFWWWQNUSA-N 1 3 338.521 2.510 20 0 EFADHO CC(C)O[C@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639719395 481458220 /nfs/dbraw/zinc/45/82/20/481458220.db2.gz DWKJUSQJHLVNJY-VQTJNVASSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639719395 481458225 /nfs/dbraw/zinc/45/82/25/481458225.db2.gz DWKJUSQJHLVNJY-VQTJNVASSA-N 1 3 332.488 2.513 20 0 EFADHO C[C@H](C(=O)N(C)C)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724975 481461589 /nfs/dbraw/zinc/46/15/89/481461589.db2.gz FNQXNJUAQLHJMF-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(N)=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639725975 481461948 /nfs/dbraw/zinc/46/19/48/481461948.db2.gz PAYGFQXPPDDJCQ-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO CC1=Nc2ccccc2C12CC[NH+](C[C@H](O)CN(C)C(C)C)CC2 ZINC000639729624 481462831 /nfs/dbraw/zinc/46/28/31/481462831.db2.gz QWVLDNBQWITWGG-QGZVFWFLSA-N 1 3 329.488 2.827 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH3+])CCCC1)N(C)C ZINC000659491594 481468895 /nfs/dbraw/zinc/46/88/95/481468895.db2.gz BAKZUDWFASZVIZ-DOTOQJQBSA-N 1 3 332.492 2.557 20 0 EFADHO Cc1csc(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000643460730 481478252 /nfs/dbraw/zinc/47/82/52/481478252.db2.gz MUDQAFDLAWHGGT-CRAIPNDOSA-N 1 3 329.469 2.840 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000646776321 481482355 /nfs/dbraw/zinc/48/23/55/481482355.db2.gz CCYVRQLKRBOEMZ-FUHWJXTLSA-N 1 3 347.503 2.653 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528740 481483546 /nfs/dbraw/zinc/48/35/46/481483546.db2.gz XAIZTPOTFCQROA-OALUTQOASA-N 1 3 340.471 2.623 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000659528740 481483556 /nfs/dbraw/zinc/48/35/56/481483556.db2.gz XAIZTPOTFCQROA-OALUTQOASA-N 1 3 340.471 2.623 20 0 EFADHO CCCN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637369538 481487200 /nfs/dbraw/zinc/48/72/00/481487200.db2.gz ZAWCAXMIAMFEPB-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637369538 481487205 /nfs/dbraw/zinc/48/72/05/481487205.db2.gz ZAWCAXMIAMFEPB-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372949 481489624 /nfs/dbraw/zinc/48/96/24/481489624.db2.gz MHNFIQWKQJAOSA-FUHWJXTLSA-N 1 3 336.524 2.565 20 0 EFADHO COCC1CCN(CC2(C[NH+]3CCC(COC)CC3)CCC2)CC1 ZINC000643611296 481513745 /nfs/dbraw/zinc/51/37/45/481513745.db2.gz IJYGWCGFZBOAFA-UHFFFAOYSA-N 1 3 338.536 2.874 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000664865756 481524445 /nfs/dbraw/zinc/52/44/45/481524445.db2.gz LDDQZESUFIHYJY-JQHSSLGASA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000664865756 481524451 /nfs/dbraw/zinc/52/44/51/481524451.db2.gz LDDQZESUFIHYJY-JQHSSLGASA-N 1 3 346.519 2.850 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000637470672 481549490 /nfs/dbraw/zinc/54/94/90/481549490.db2.gz BGAHKXKLMIHIMN-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000651105735 481560964 /nfs/dbraw/zinc/56/09/64/481560964.db2.gz GHFLFPLIKSBPLN-FXAWDEMLSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000651105735 481560970 /nfs/dbraw/zinc/56/09/70/481560970.db2.gz GHFLFPLIKSBPLN-FXAWDEMLSA-N 1 3 346.519 2.679 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H]1CC[C@@H](CO)CC1)C1CCN(C)CC1 ZINC000648481719 481572994 /nfs/dbraw/zinc/57/29/94/481572994.db2.gz DXQRSJXOVWJLII-IZAXUBKRSA-N 1 3 345.531 2.858 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646987426 481588315 /nfs/dbraw/zinc/58/83/15/481588315.db2.gz WWIRZCPNFWBIRF-XLIONFOSSA-N 1 3 343.515 2.588 20 0 EFADHO CC1([NH3+])CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC000646993781 481591439 /nfs/dbraw/zinc/59/14/39/481591439.db2.gz JCRGBEWLIYGNGN-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[C@H]1[NH3+] ZINC000647006019 481597111 /nfs/dbraw/zinc/59/71/11/481597111.db2.gz JNLUVYDWZAVOCZ-ZIFCJYIRSA-N 1 3 347.478 2.624 20 0 EFADHO CC[N@H+](CCCNC(=O)NC(C)(C)CN(C)C)C1CCCCC1 ZINC000651218613 481635315 /nfs/dbraw/zinc/63/53/15/481635315.db2.gz WLGFYOSYXGZWLB-UHFFFAOYSA-N 1 3 326.529 2.671 20 0 EFADHO CC[N@@H+](CCCNC(=O)NC(C)(C)CN(C)C)C1CCCCC1 ZINC000651218613 481635320 /nfs/dbraw/zinc/63/53/20/481635320.db2.gz WLGFYOSYXGZWLB-UHFFFAOYSA-N 1 3 326.529 2.671 20 0 EFADHO CC[N@H+](CCCNC(=O)NCC1=CCN(C)CC1)C1CCCCC1 ZINC000651220173 481638350 /nfs/dbraw/zinc/63/83/50/481638350.db2.gz VSKACBJJAQUUQU-UHFFFAOYSA-N 1 3 336.524 2.592 20 0 EFADHO CC[N@@H+](CCCNC(=O)NCC1=CCN(C)CC1)C1CCCCC1 ZINC000651220173 481638352 /nfs/dbraw/zinc/63/83/52/481638352.db2.gz VSKACBJJAQUUQU-UHFFFAOYSA-N 1 3 336.524 2.592 20 0 EFADHO COc1cc2c(cc1CN1CC3(C[C@H]1C)CC[NH2+]CC3)O[C@H](C)C2 ZINC000643973778 481665155 /nfs/dbraw/zinc/66/51/55/481665155.db2.gz MMDCRYNSZVIHFP-HUUCEWRRSA-N 1 3 330.472 2.983 20 0 EFADHO CC[NH+](CC)CCOc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000647151653 481666944 /nfs/dbraw/zinc/66/69/44/481666944.db2.gz LOEWKXLFKXIRMP-MRXNPFEDSA-N 1 3 330.432 2.882 20 0 EFADHO CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662253140 481667071 /nfs/dbraw/zinc/66/70/71/481667071.db2.gz WTFNWMRBTYVAKT-UHFFFAOYSA-N 1 3 349.478 2.857 20 0 EFADHO Cc1ccc(C)c(OC2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662253646 481670172 /nfs/dbraw/zinc/67/01/72/481670172.db2.gz JHEQWSKNGUHRRV-GOSISDBHSA-N 1 3 330.472 2.668 20 0 EFADHO CC(C)c1cccc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000662264738 481677160 /nfs/dbraw/zinc/67/71/60/481677160.db2.gz KFTDVLLVKUFECN-AZUAARDMSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CO[C@H](C)C3)CC2)c1 ZINC000647170027 481679164 /nfs/dbraw/zinc/67/91/64/481679164.db2.gz KWBAQUIMANNHIS-RTBURBONSA-N 1 3 331.504 2.664 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659989673 481687468 /nfs/dbraw/zinc/68/74/68/481687468.db2.gz QXTRSVFHHUQMBN-RHSMWYFYSA-N 1 3 333.501 2.763 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659989673 481687475 /nfs/dbraw/zinc/68/74/75/481687475.db2.gz QXTRSVFHHUQMBN-RHSMWYFYSA-N 1 3 333.501 2.763 20 0 EFADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000662279882 481688210 /nfs/dbraw/zinc/68/82/10/481688210.db2.gz MZHRVRROGCVNGR-CABCVRRESA-N 1 3 347.528 2.722 20 0 EFADHO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000662281429 481688813 /nfs/dbraw/zinc/68/88/13/481688813.db2.gz KLPJQTYIMAFXAX-SFHVURJKSA-N 1 3 327.476 2.871 20 0 EFADHO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)c1 ZINC000662281429 481688818 /nfs/dbraw/zinc/68/88/18/481688818.db2.gz KLPJQTYIMAFXAX-SFHVURJKSA-N 1 3 327.476 2.871 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290113 481691808 /nfs/dbraw/zinc/69/18/08/481691808.db2.gz KBWHOYNJEGCZDC-PXNSSMCTSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000648719312 481693802 /nfs/dbraw/zinc/69/38/02/481693802.db2.gz KORNADKXVDFZFM-XUVXKRRUSA-N 1 3 332.488 2.752 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000648719312 481693809 /nfs/dbraw/zinc/69/38/09/481693809.db2.gz KORNADKXVDFZFM-XUVXKRRUSA-N 1 3 332.488 2.752 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)CO1 ZINC000647189720 481694388 /nfs/dbraw/zinc/69/43/88/481694388.db2.gz KMVZKTUYTBILMH-MJGOQNOKSA-N 1 3 332.488 2.825 20 0 EFADHO Cc1c(-c2cc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)on2)cnn1C ZINC000662292038 481694604 /nfs/dbraw/zinc/69/46/04/481694604.db2.gz LEHFOHOOJGGJHD-INIZCTEOSA-N 1 3 343.475 2.595 20 0 EFADHO Cc1ccccc1CNC(=O)[C@@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291498 481694813 /nfs/dbraw/zinc/69/48/13/481694813.db2.gz VCAVRDZUOGXOOQ-XLIONFOSSA-N 1 3 343.515 2.711 20 0 EFADHO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCN1c1ccccc1 ZINC000662291814 481695195 /nfs/dbraw/zinc/69/51/95/481695195.db2.gz KUAAQKQDEXACHC-AZUAARDMSA-N 1 3 341.499 2.894 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662294064 481697000 /nfs/dbraw/zinc/69/70/00/481697000.db2.gz ARGQOKDYRVUABI-HOCLYGCPSA-N 1 3 335.517 2.637 20 0 EFADHO O[C@]1(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010115 481699071 /nfs/dbraw/zinc/69/90/71/481699071.db2.gz FVZPAXWBNOOKQN-NJYVYQBISA-N 1 3 344.499 2.514 20 0 EFADHO O[C@]1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010115 481699076 /nfs/dbraw/zinc/69/90/76/481699076.db2.gz FVZPAXWBNOOKQN-NJYVYQBISA-N 1 3 344.499 2.514 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294085 481699807 /nfs/dbraw/zinc/69/98/07/481699807.db2.gz ATYSXDXFHKBGPD-WBVHZDCISA-N 1 3 349.544 2.507 20 0 EFADHO C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296739 481703120 /nfs/dbraw/zinc/70/31/20/481703120.db2.gz MIKFIBGCZAEUKC-VQIMIIECSA-N 1 3 341.499 2.676 20 0 EFADHO COc1ccc(C)cc1NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313464 481716391 /nfs/dbraw/zinc/71/63/91/481716391.db2.gz QDDVKJFJRVKRBR-NVXWUHKLSA-N 1 3 333.476 2.782 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000667658458 481717488 /nfs/dbraw/zinc/71/74/88/481717488.db2.gz HNXFDRJBQRTCPH-CMKODMSKSA-N 1 3 346.519 2.838 20 0 EFADHO COc1ccccc1N1CC[C@H](N2CCC[C@@H](C)[C@H]2CCC[NH3+])C1=O ZINC000662316911 481720520 /nfs/dbraw/zinc/72/05/20/481720520.db2.gz XLBYHKTVLJSGNB-NUJGCVRESA-N 1 3 345.487 2.640 20 0 EFADHO c1c(C2CCN(Cc3ccncc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327498 481730304 /nfs/dbraw/zinc/73/03/04/481730304.db2.gz PPGOJVZMIGYKND-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(Cc2ccncc2)CC1 ZINC000662327498 481730306 /nfs/dbraw/zinc/73/03/06/481730306.db2.gz PPGOJVZMIGYKND-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000662336098 481734979 /nfs/dbraw/zinc/73/49/79/481734979.db2.gz URKQEUFOGFOJBN-QGZVFWFLSA-N 1 3 331.508 2.579 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000662336098 481734988 /nfs/dbraw/zinc/73/49/88/481734988.db2.gz URKQEUFOGFOJBN-QGZVFWFLSA-N 1 3 331.508 2.579 20 0 EFADHO CCOc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000667683167 481735388 /nfs/dbraw/zinc/73/53/88/481735388.db2.gz HDVZYILZRYQLNA-GHTZIAJQSA-N 1 3 345.531 2.852 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665233984 481736041 /nfs/dbraw/zinc/73/60/41/481736041.db2.gz VIHLIBGXHQNNIF-IVSAIRAKSA-N 1 3 337.895 2.508 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000662338316 481736506 /nfs/dbraw/zinc/73/65/06/481736506.db2.gz QGAVGZDMNDMYQT-QGZVFWFLSA-N 1 3 331.508 2.579 20 0 EFADHO c1c(N2CCNCC2)n[nH]c1[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000662338316 481736515 /nfs/dbraw/zinc/73/65/15/481736515.db2.gz QGAVGZDMNDMYQT-QGZVFWFLSA-N 1 3 331.508 2.579 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[N@@H+]1C ZINC000648788154 481741970 /nfs/dbraw/zinc/74/19/70/481741970.db2.gz UDJPASFBAHVDOO-TZMCWYRMSA-N 1 3 339.867 2.559 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CC[N@H+]1C ZINC000648788154 481741977 /nfs/dbraw/zinc/74/19/77/481741977.db2.gz UDJPASFBAHVDOO-TZMCWYRMSA-N 1 3 339.867 2.559 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3NCC3(C)C)c2)CC1 ZINC000644154582 481750317 /nfs/dbraw/zinc/75/03/17/481750317.db2.gz VETGBKNLSFHUDQ-GOSISDBHSA-N 1 3 329.488 2.898 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000665270623 481760273 /nfs/dbraw/zinc/76/02/73/481760273.db2.gz HRRKKJDNURKWFY-FQEVSTJZSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000665270623 481760276 /nfs/dbraw/zinc/76/02/76/481760276.db2.gz HRRKKJDNURKWFY-FQEVSTJZSA-N 1 3 341.499 2.887 20 0 EFADHO Cc1ccc([C@H](CNC(=O)Nc2cccc(C[NH3+])c2)N(C)C)cc1 ZINC000667729819 481766132 /nfs/dbraw/zinc/76/61/32/481766132.db2.gz XALQSUULGITQRX-SFHVURJKSA-N 1 3 326.444 2.878 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000667732117 481767512 /nfs/dbraw/zinc/76/75/12/481767512.db2.gz BLTMEKZWEUBUKV-UHFFFAOYSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(CN)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000667736820 481771362 /nfs/dbraw/zinc/77/13/62/481771362.db2.gz SMBVTFDWWVRLNU-GOEBONIOSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(CN)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000667736820 481771371 /nfs/dbraw/zinc/77/13/71/481771371.db2.gz SMBVTFDWWVRLNU-GOEBONIOSA-N 1 3 330.476 2.920 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@@H+]1C ZINC000648831905 481775001 /nfs/dbraw/zinc/77/50/01/481775001.db2.gz QKJRGZLEEDLMJB-VQIMIIECSA-N 1 3 345.487 2.830 20 0 EFADHO C[C@@H]1[C@H](C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC[N@H+]1C ZINC000648831905 481775009 /nfs/dbraw/zinc/77/50/09/481775009.db2.gz QKJRGZLEEDLMJB-VQIMIIECSA-N 1 3 345.487 2.830 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662386646 481776745 /nfs/dbraw/zinc/77/67/45/481776745.db2.gz LYXQVCZVYJIXPZ-GASCZTMLSA-N 1 3 349.544 2.882 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc3c(s2)CCNC3)C1 ZINC000662386646 481776757 /nfs/dbraw/zinc/77/67/57/481776757.db2.gz LYXQVCZVYJIXPZ-GASCZTMLSA-N 1 3 349.544 2.882 20 0 EFADHO CC(C)(CNC(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCC1 ZINC000667746649 481780768 /nfs/dbraw/zinc/78/07/68/481780768.db2.gz IKUYLUDWTSBLSE-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)C[NH+]1CCCCC1 ZINC000667753982 481786539 /nfs/dbraw/zinc/78/65/39/481786539.db2.gz KMPYULDQYMWDRP-HNNXBMFYSA-N 1 3 330.476 2.576 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662405142 481787976 /nfs/dbraw/zinc/78/79/76/481787976.db2.gz WTQQJJLJWYKDGI-MDZRGWNJSA-N 1 3 343.515 2.915 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662441134 481807401 /nfs/dbraw/zinc/80/74/01/481807401.db2.gz JHUFWUJRPWWPPD-IEBWSBKVSA-N 1 3 327.472 2.698 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662441135 481808279 /nfs/dbraw/zinc/80/82/79/481808279.db2.gz JHUFWUJRPWWPPD-MJGOQNOKSA-N 1 3 327.472 2.698 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000654349128 481809743 /nfs/dbraw/zinc/80/97/43/481809743.db2.gz YJDJDZSPZHKSNZ-IAGOWNOFSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662455280 481814427 /nfs/dbraw/zinc/81/44/27/481814427.db2.gz XEXOFFFWDATFGP-ZWKOTPCHSA-N 1 3 329.488 2.669 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662473508 481824702 /nfs/dbraw/zinc/82/47/02/481824702.db2.gz LTLMJSKYDVZWOJ-LJQANCHMSA-N 1 3 329.488 2.801 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662472704 481824835 /nfs/dbraw/zinc/82/48/35/481824835.db2.gz DQXPDISWMBGESD-LJQANCHMSA-N 1 3 327.472 2.555 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@@H]2NCc3ccccc32)CC1 ZINC000662473507 481825799 /nfs/dbraw/zinc/82/57/99/481825799.db2.gz LTLMJSKYDVZWOJ-IBGZPJMESA-N 1 3 329.488 2.801 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662479922 481830388 /nfs/dbraw/zinc/83/03/88/481830388.db2.gz NMCGNLVNTFSNGH-CTNGQTDRSA-N 1 3 349.478 2.954 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2NCc3ccccc32)C1 ZINC000662479922 481830394 /nfs/dbraw/zinc/83/03/94/481830394.db2.gz NMCGNLVNTFSNGH-CTNGQTDRSA-N 1 3 349.478 2.954 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667831368 481836651 /nfs/dbraw/zinc/83/66/51/481836651.db2.gz VDMWREGITMZEIV-HOJAQTOUSA-N 1 3 332.488 2.922 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)NC1CC[NH+](C2CCCC2)CC1 ZINC000662490720 481838327 /nfs/dbraw/zinc/83/83/27/481838327.db2.gz KOWOHSZSZXZZCQ-IBGZPJMESA-N 1 3 327.472 2.744 20 0 EFADHO CC[C@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000662505299 481846373 /nfs/dbraw/zinc/84/63/73/481846373.db2.gz SMINWCNHMOIEIF-HNNXBMFYSA-N 1 3 345.409 2.594 20 0 EFADHO CC[C@@H]([NH2+]C)C(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000662505301 481846668 /nfs/dbraw/zinc/84/66/68/481846668.db2.gz SMINWCNHMOIEIF-OAHLLOKOSA-N 1 3 345.409 2.594 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc2c(s1)CCNC2 ZINC000662504593 481846813 /nfs/dbraw/zinc/84/68/13/481846813.db2.gz KAGFPRKZMJUKCL-UHFFFAOYSA-N 1 3 337.533 2.834 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000662518701 481854867 /nfs/dbraw/zinc/85/48/67/481854867.db2.gz NWOKBOUSIZUCSK-OAHLLOKOSA-N 1 3 342.468 2.783 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000640218597 481859053 /nfs/dbraw/zinc/85/90/53/481859053.db2.gz HRBXIJAJRJEDTB-MDASCCDHSA-N 1 3 340.471 2.608 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654415146 481860557 /nfs/dbraw/zinc/86/05/57/481860557.db2.gz HWFDXFHFOMZZRE-ZWKOTPCHSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526878 481860983 /nfs/dbraw/zinc/86/09/83/481860983.db2.gz LPUBZDLOEULZRJ-HLLBOEOZSA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526878 481860986 /nfs/dbraw/zinc/86/09/86/481860986.db2.gz LPUBZDLOEULZRJ-HLLBOEOZSA-N 1 3 327.472 2.767 20 0 EFADHO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000649000958 481879612 /nfs/dbraw/zinc/87/96/12/481879612.db2.gz GMIPNOZEFVLCHX-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCN(C)C1 ZINC000649000958 481879617 /nfs/dbraw/zinc/87/96/17/481879617.db2.gz GMIPNOZEFVLCHX-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)N2CCN(C(C)(C)CC)CC2)CC1 ZINC000654460013 481882184 /nfs/dbraw/zinc/88/21/84/481882184.db2.gz JBCYIHSSJJSIIV-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO c1c2cnccc2oc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000651645741 481888342 /nfs/dbraw/zinc/88/83/42/481888342.db2.gz BQZGBRYTFMAMFG-UHFFFAOYSA-N 1 3 329.444 2.905 20 0 EFADHO CC(=O)NC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000662643374 481912795 /nfs/dbraw/zinc/91/27/95/481912795.db2.gz BEOLBSFWUKTLIP-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO CC(C)N(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649063801 481915311 /nfs/dbraw/zinc/91/53/11/481915311.db2.gz LPKDBNTUGTWUGE-MISYRCLQSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)N(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649063801 481915316 /nfs/dbraw/zinc/91/53/16/481915316.db2.gz LPKDBNTUGTWUGE-MISYRCLQSA-N 1 3 343.515 2.838 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662658726 481919992 /nfs/dbraw/zinc/91/99/92/481919992.db2.gz JOXFGSSHDYUUGL-RTBURBONSA-N 1 3 345.531 2.786 20 0 EFADHO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000662670657 481926721 /nfs/dbraw/zinc/92/67/21/481926721.db2.gz YQQBQIYTIRLMEO-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662682175 481931703 /nfs/dbraw/zinc/93/17/03/481931703.db2.gz HLYWYDSDSRBZGO-MRXNPFEDSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662682175 481931706 /nfs/dbraw/zinc/93/17/06/481931706.db2.gz HLYWYDSDSRBZGO-MRXNPFEDSA-N 1 3 329.488 2.574 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665557400 481934273 /nfs/dbraw/zinc/93/42/73/481934273.db2.gz ULBXRFXLWHLHKU-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556675 481935412 /nfs/dbraw/zinc/93/54/12/481935412.db2.gz AYPFFUJHVZNHRE-KRWDZBQOSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665556675 481935414 /nfs/dbraw/zinc/93/54/14/481935414.db2.gz AYPFFUJHVZNHRE-KRWDZBQOSA-N 1 3 338.540 2.621 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1Cl ZINC000662691826 481936817 /nfs/dbraw/zinc/93/68/17/481936817.db2.gz AWAPNLBNCMFWRO-OAHLLOKOSA-N 1 3 339.867 2.607 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)N(C)C)cc1 ZINC000662690858 481936880 /nfs/dbraw/zinc/93/68/80/481936880.db2.gz OMVWMIHYPLTZNL-HXUWFJFHSA-N 1 3 337.467 2.673 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2c1CCNC2 ZINC000662697849 481938137 /nfs/dbraw/zinc/93/81/37/481938137.db2.gz DFOGQJIAYRKSSG-UHFFFAOYSA-N 1 3 341.499 2.717 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699274 481940147 /nfs/dbraw/zinc/94/01/47/481940147.db2.gz ZGOPGHOHAQDAEE-IAGOWNOFSA-N 1 3 333.520 2.761 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699274 481940154 /nfs/dbraw/zinc/94/01/54/481940154.db2.gz ZGOPGHOHAQDAEE-IAGOWNOFSA-N 1 3 333.520 2.761 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(N)CC4(CCC4)C3)C2)CC1 ZINC000662697880 481940339 /nfs/dbraw/zinc/94/03/39/481940339.db2.gz DSOLYLIPILVOCW-KRWDZBQOSA-N 1 3 333.520 2.619 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699273 481940487 /nfs/dbraw/zinc/94/04/87/481940487.db2.gz ZGOPGHOHAQDAEE-DLBZAZTESA-N 1 3 333.520 2.761 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699273 481940492 /nfs/dbraw/zinc/94/04/92/481940492.db2.gz ZGOPGHOHAQDAEE-DLBZAZTESA-N 1 3 333.520 2.761 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654574401 481943060 /nfs/dbraw/zinc/94/30/60/481943060.db2.gz MFLQFXSOYVLLET-QZTJIDSGSA-N 1 3 336.524 2.569 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662720601 481948090 /nfs/dbraw/zinc/94/80/90/481948090.db2.gz BIYNRTOXCMLJHH-MAUKXSAKSA-N 1 3 329.488 2.716 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662752483 481959567 /nfs/dbraw/zinc/95/95/67/481959567.db2.gz ZJTHQSDQKNTPMA-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)c2)CC1 ZINC000662803039 481977556 /nfs/dbraw/zinc/97/75/56/481977556.db2.gz UKKMWNDBTHCRLH-SFHVURJKSA-N 1 3 344.503 2.544 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668101227 481977601 /nfs/dbraw/zinc/97/76/01/481977601.db2.gz JVFBQAQWRZZZDY-HXUWFJFHSA-N 1 3 343.515 2.809 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)N(CC)CC ZINC000662867332 481999381 /nfs/dbraw/zinc/99/93/81/481999381.db2.gz YPZZHUNNZLJOCX-KURKYZTESA-N 1 3 335.467 2.508 20 0 EFADHO CC[C@H](N)C(=O)N(CC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC000662870861 481999785 /nfs/dbraw/zinc/99/97/85/481999785.db2.gz OBTUCEMYTKFIDX-INIZCTEOSA-N 1 3 325.884 2.748 20 0 EFADHO Cc1csc2ncnc(N[C@H]3CCN(C4CC[NH+](C)CC4)C3)c12 ZINC000665700914 482005447 /nfs/dbraw/zinc/00/54/47/482005447.db2.gz OTKZWOUHTPKGTL-ZDUSSCGKSA-N 1 3 331.489 2.580 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668172065 482015968 /nfs/dbraw/zinc/01/59/68/482015968.db2.gz COHHZHMDHGQTPX-DFQSSKMNSA-N 1 3 330.472 2.770 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668172065 482015975 /nfs/dbraw/zinc/01/59/75/482015975.db2.gz COHHZHMDHGQTPX-DFQSSKMNSA-N 1 3 330.472 2.770 20 0 EFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCCC[C@H]1C ZINC000649293389 482016010 /nfs/dbraw/zinc/01/60/10/482016010.db2.gz RFSXNTKUKYAXNI-QZTJIDSGSA-N 1 3 343.515 2.687 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1C ZINC000654728975 482018932 /nfs/dbraw/zinc/01/89/32/482018932.db2.gz BXQHZRXDDRPQOM-WNRNVDISSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@@H]1C ZINC000654728975 482018928 /nfs/dbraw/zinc/01/89/28/482018928.db2.gz BXQHZRXDDRPQOM-WNRNVDISSA-N 1 3 336.524 2.518 20 0 EFADHO CCc1ccc2nccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000649304536 482019922 /nfs/dbraw/zinc/01/99/22/482019922.db2.gz IDIAXLJJBQQLCL-KRWDZBQOSA-N 1 3 325.456 2.884 20 0 EFADHO CCc1ccc2nccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000649304537 482020718 /nfs/dbraw/zinc/02/07/18/482020718.db2.gz IDIAXLJJBQQLCL-QGZVFWFLSA-N 1 3 325.456 2.884 20 0 EFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CNCCC1(F)F ZINC000649305960 482021649 /nfs/dbraw/zinc/02/16/49/482021649.db2.gz OJSNHTBIHZKKOZ-MRXNPFEDSA-N 1 3 337.414 2.508 20 0 EFADHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CNCCC1(F)F ZINC000649305959 482022404 /nfs/dbraw/zinc/02/24/04/482022404.db2.gz OJSNHTBIHZKKOZ-INIZCTEOSA-N 1 3 337.414 2.508 20 0 EFADHO CC1(C)CN(C(=O)C2(N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019432 482034912 /nfs/dbraw/zinc/03/49/12/482034912.db2.gz LKBGIKVESKNUSF-SFHVURJKSA-N 1 3 341.499 2.627 20 0 EFADHO C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000665758013 482037233 /nfs/dbraw/zinc/03/72/33/482037233.db2.gz JJTMZTKIBVJUBC-YYIAUSFCSA-N 1 3 345.487 2.604 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370434 482045566 /nfs/dbraw/zinc/04/55/66/482045566.db2.gz ONHGJFSBYIJZMS-CQSZACIVSA-N 1 3 341.455 2.899 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000649370433 482045651 /nfs/dbraw/zinc/04/56/51/482045651.db2.gz ONHGJFSBYIJZMS-AWEZNQCLSA-N 1 3 341.455 2.899 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638295 482063629 /nfs/dbraw/zinc/06/36/29/482063629.db2.gz BLMYDRUHQQGTSI-PKOBYXMFSA-N 1 3 345.512 2.907 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CC[C@@H]3Sc4ccccc4NC3=O)C2)C1 ZINC000660638295 482063632 /nfs/dbraw/zinc/06/36/32/482063632.db2.gz BLMYDRUHQQGTSI-PKOBYXMFSA-N 1 3 345.512 2.907 20 0 EFADHO C[C@@H]1CC2(CN1Cc1csc(-c3cnn(C)c3)n1)CC[NH2+]CC2 ZINC000649420922 482069271 /nfs/dbraw/zinc/06/92/71/482069271.db2.gz ZQFUXIPXCQJDRQ-CYBMUJFWSA-N 1 3 331.489 2.508 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665112 482083417 /nfs/dbraw/zinc/08/34/17/482083417.db2.gz UGTXRWMSNGFPBD-RXVVDRJESA-N 1 3 341.499 2.566 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCN(C(=O)c3ccccc3)C1)C2 ZINC000660665112 482083420 /nfs/dbraw/zinc/08/34/20/482083420.db2.gz UGTXRWMSNGFPBD-RXVVDRJESA-N 1 3 341.499 2.566 20 0 EFADHO O=C(NCCC1CC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000652128293 482088627 /nfs/dbraw/zinc/08/86/27/482088627.db2.gz VIZSJLKCSQGLTR-LJQANCHMSA-N 1 3 344.503 2.512 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3scnc3C)CC2)CC1 ZINC000654901326 482089964 /nfs/dbraw/zinc/08/99/64/482089964.db2.gz SKACJUGZGZCMRX-UHFFFAOYSA-N 1 3 336.505 2.586 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652137755 482092864 /nfs/dbraw/zinc/09/28/64/482092864.db2.gz UZZDPCFCYRGJIO-QFBILLFUSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCC1CC[NH2+]CC1)N(C)C ZINC000652191166 482120029 /nfs/dbraw/zinc/12/00/29/482120029.db2.gz MEEXTBZBXRHGTF-LPHOPBHVSA-N 1 3 346.519 2.675 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000652220243 482130369 /nfs/dbraw/zinc/13/03/69/482130369.db2.gz ZIIJJYAHPIFMLT-GOSISDBHSA-N 1 3 332.492 2.594 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655031447 482137481 /nfs/dbraw/zinc/13/74/81/482137481.db2.gz YCULLZMFBIALRE-UYAOXDASSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655031447 482137485 /nfs/dbraw/zinc/13/74/85/482137485.db2.gz YCULLZMFBIALRE-UYAOXDASSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)(CO)N1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663287537 482151835 /nfs/dbraw/zinc/15/18/35/482151835.db2.gz ZSXDCSDSJYAMKM-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668575690 482174372 /nfs/dbraw/zinc/17/43/72/482174372.db2.gz NHHMJDBOBMHJIP-UXHICEINSA-N 1 3 343.515 2.857 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3C[C@@H](OC(C)(C)C)C3(C)C)C2)CC1 ZINC000666090382 482178679 /nfs/dbraw/zinc/17/86/79/482178679.db2.gz YJEXXICWSSMWMK-RYQLBKOJSA-N 1 3 337.552 2.727 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)C2)CC1 ZINC000666090379 482178829 /nfs/dbraw/zinc/17/88/29/482178829.db2.gz YJEXXICWSSMWMK-JQHSSLGASA-N 1 3 337.552 2.727 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H](C4CCC4)C3)CC2)CC1 ZINC000655149225 482183750 /nfs/dbraw/zinc/18/37/50/482183750.db2.gz KDXXURHEFUPVEU-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CCOc1ccccc1OCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347632 482184593 /nfs/dbraw/zinc/18/45/93/482184593.db2.gz HMOYVXSIGYLOFH-ZWOKBUDYSA-N 1 3 348.487 2.682 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCN ZINC000652353471 482187626 /nfs/dbraw/zinc/18/76/26/482187626.db2.gz LJYDDCCVAXAKMF-MAUKXSAKSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCN ZINC000652353471 482187632 /nfs/dbraw/zinc/18/76/32/482187632.db2.gz LJYDDCCVAXAKMF-MAUKXSAKSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CC[NH3+] ZINC000652353471 482187639 /nfs/dbraw/zinc/18/76/39/482187639.db2.gz LJYDDCCVAXAKMF-MAUKXSAKSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCN ZINC000652353470 482188016 /nfs/dbraw/zinc/18/80/16/482188016.db2.gz LJYDDCCVAXAKMF-CRAIPNDOSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CCN ZINC000652353470 482188021 /nfs/dbraw/zinc/18/80/21/482188021.db2.gz LJYDDCCVAXAKMF-CRAIPNDOSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1CC[NH3+] ZINC000652353470 482188024 /nfs/dbraw/zinc/18/80/24/482188024.db2.gz LJYDDCCVAXAKMF-CRAIPNDOSA-N 1 3 343.471 2.512 20 0 EFADHO C[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CC[NH3+] ZINC000652354709 482190461 /nfs/dbraw/zinc/19/04/61/482190461.db2.gz FWYAZSRNQFVYKA-BLLLJJGKSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCN ZINC000652354709 482190466 /nfs/dbraw/zinc/19/04/66/482190466.db2.gz FWYAZSRNQFVYKA-BLLLJJGKSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@@H]1CCN ZINC000652354709 482190472 /nfs/dbraw/zinc/19/04/72/482190472.db2.gz FWYAZSRNQFVYKA-BLLLJJGKSA-N 1 3 325.403 2.743 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2ccc(C(F)(F)F)cn2)C1 ZINC000652363588 482196065 /nfs/dbraw/zinc/19/60/65/482196065.db2.gz IWQBYCZJNHDQMT-VNQPRFMTSA-N 1 3 343.393 2.961 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668660901 482202684 /nfs/dbraw/zinc/20/26/84/482202684.db2.gz FNWKTRZGWMBFAG-QZTJIDSGSA-N 1 3 332.492 2.511 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668660902 482202841 /nfs/dbraw/zinc/20/28/41/482202841.db2.gz FNWKTRZGWMBFAG-ROUUACIJSA-N 1 3 332.492 2.511 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](CC)C2)N(C)C)cc1 ZINC000668657088 482203456 /nfs/dbraw/zinc/20/34/56/482203456.db2.gz CSMQQOSMLTVIGS-UHOSZYNNSA-N 1 3 346.519 2.621 20 0 EFADHO CNC(=O)CC1(C[NH2+]C2CCN(c3ccncc3)CC2)CCCCC1 ZINC000668704360 482220777 /nfs/dbraw/zinc/22/07/77/482220777.db2.gz UHHOWFTWHPNVOS-UHFFFAOYSA-N 1 3 344.503 2.727 20 0 EFADHO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000668753848 482246998 /nfs/dbraw/zinc/24/69/98/482246998.db2.gz TZKDHOATUBSZSX-UZLBHIALSA-N 1 3 325.456 2.805 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCN(CC3CC3)C1)CO2 ZINC000663467111 482253309 /nfs/dbraw/zinc/25/33/09/482253309.db2.gz ZPLJIIXULYIZBI-FUHWJXTLSA-N 1 3 330.472 2.710 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)CO2 ZINC000663467113 482253431 /nfs/dbraw/zinc/25/34/31/482253431.db2.gz ZPLJIIXULYIZBI-SJLPKXTDSA-N 1 3 330.472 2.710 20 0 EFADHO O=C(CNC1(C2CCC2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649808128 482268425 /nfs/dbraw/zinc/26/84/25/482268425.db2.gz SDWWNKGNXDJGSY-UHFFFAOYSA-N 1 3 341.499 2.821 20 0 EFADHO C[NH2+]C[C@H](C)NC1CCN(Cc2ccccc2Br)CC1 ZINC000663510101 482272537 /nfs/dbraw/zinc/27/25/37/482272537.db2.gz PDMYZXXSYYJLJH-ZDUSSCGKSA-N 1 3 340.309 2.611 20 0 EFADHO CNC[C@H](C)[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000663510101 482272542 /nfs/dbraw/zinc/27/25/42/482272542.db2.gz PDMYZXXSYYJLJH-ZDUSSCGKSA-N 1 3 340.309 2.611 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655349105 482277117 /nfs/dbraw/zinc/27/71/17/482277117.db2.gz JSNLSHWXPHELPG-WOJBJXKFSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655349105 482277110 /nfs/dbraw/zinc/27/71/10/482277110.db2.gz JSNLSHWXPHELPG-WOJBJXKFSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661072304 482308143 /nfs/dbraw/zinc/30/81/43/482308143.db2.gz XJYDLRHLPSCTSF-VQIMIIECSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661072304 482308145 /nfs/dbraw/zinc/30/81/45/482308145.db2.gz XJYDLRHLPSCTSF-VQIMIIECSA-N 1 3 348.535 2.710 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000666413788 482321617 /nfs/dbraw/zinc/32/16/17/482321617.db2.gz BCISOGABMGEHLJ-TZIWHRDSSA-N 1 3 340.467 2.935 20 0 EFADHO CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663825895 482399972 /nfs/dbraw/zinc/39/99/72/482399972.db2.gz ODHSUMMKSWGGJJ-HXUWFJFHSA-N 1 3 336.439 2.636 20 0 EFADHO CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1[nH+]ccc2[nH]ccc21 ZINC000663825893 482400250 /nfs/dbraw/zinc/40/02/50/482400250.db2.gz ODHSUMMKSWGGJJ-FQEVSTJZSA-N 1 3 336.439 2.636 20 0 EFADHO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168939162 518936223 /nfs/dbraw/zinc/93/62/23/518936223.db2.gz OZRHYVSMGHLSNR-RTBURBONSA-N 1 3 339.568 2.571 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000177545095 519670897 /nfs/dbraw/zinc/67/08/97/519670897.db2.gz SNMXXJXZIBHEQK-FXAWDEMLSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000192794712 519680968 /nfs/dbraw/zinc/68/09/68/519680968.db2.gz UBEZSHJAXMDMJH-FQEVSTJZSA-N 1 3 349.494 2.695 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000192794712 519680972 /nfs/dbraw/zinc/68/09/72/519680972.db2.gz UBEZSHJAXMDMJH-FQEVSTJZSA-N 1 3 349.494 2.695 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000193008340 519682260 /nfs/dbraw/zinc/68/22/60/519682260.db2.gz ONLBUXUFISZJLK-IEBWSBKVSA-N 1 3 331.504 2.557 20 0 EFADHO CC(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183128088 519703641 /nfs/dbraw/zinc/70/36/41/519703641.db2.gz KNBSNWBGUFIMLD-HSALFYBXSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128088 519703643 /nfs/dbraw/zinc/70/36/43/519703643.db2.gz KNBSNWBGUFIMLD-HSALFYBXSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183128088 519703645 /nfs/dbraw/zinc/70/36/45/519703645.db2.gz KNBSNWBGUFIMLD-HSALFYBXSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000151997753 519840080 /nfs/dbraw/zinc/84/00/80/519840080.db2.gz UINALOBJKSBUAG-DNVCBOLYSA-N 1 3 331.504 2.952 20 0 EFADHO CCN(C)CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000066987448 520231062 /nfs/dbraw/zinc/23/10/62/520231062.db2.gz CFYZJUOPTGNVRS-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000071932988 521000989 /nfs/dbraw/zinc/00/09/89/521000989.db2.gz MHFNAMONAMGSNO-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000071932992 521010568 /nfs/dbraw/zinc/01/05/68/521010568.db2.gz DVYKOGLDTZKCCA-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000071932992 521010577 /nfs/dbraw/zinc/01/05/77/521010577.db2.gz DVYKOGLDTZKCCA-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCCN(C(=O)CCC[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000178717158 521416454 /nfs/dbraw/zinc/41/64/54/521416454.db2.gz MXHZDSGDUVGFTF-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCCn1nc(C)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000093734920 521668443 /nfs/dbraw/zinc/66/84/43/521668443.db2.gz BCHAGNBDJHZSBX-UHFFFAOYSA-N 1 3 348.535 2.987 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000154521821 521679555 /nfs/dbraw/zinc/67/95/55/521679555.db2.gz JSRWZKJCPBXREY-MRXNPFEDSA-N 1 3 336.549 2.836 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000154471975 521680224 /nfs/dbraw/zinc/68/02/24/521680224.db2.gz CDLUFNIOZNAMMT-HXUWFJFHSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154245489 521682058 /nfs/dbraw/zinc/68/20/58/521682058.db2.gz KRDXDXOSBXHWEP-LJQANCHMSA-N 1 3 331.504 2.826 20 0 EFADHO CCN1CC[C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)C1 ZINC000037644439 521717117 /nfs/dbraw/zinc/71/71/17/521717117.db2.gz ZMZNLCMCHDUVPG-CYBMUJFWSA-N 1 3 327.266 2.889 20 0 EFADHO [NH3+]CC1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCCC1 ZINC000166203060 534586037 /nfs/dbraw/zinc/58/60/37/534586037.db2.gz ZYMAAVLNIFZAMQ-OAHLLOKOSA-N 1 3 335.517 2.595 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000194440467 521927741 /nfs/dbraw/zinc/92/77/41/521927741.db2.gz VSYIWQDDLOVUPS-SFHVURJKSA-N 1 3 330.476 2.840 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181316061 522055506 /nfs/dbraw/zinc/05/55/06/522055506.db2.gz BNQMURRNVDZWRF-DLBZAZTESA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181316061 522055512 /nfs/dbraw/zinc/05/55/12/522055512.db2.gz BNQMURRNVDZWRF-DLBZAZTESA-N 1 3 334.508 2.536 20 0 EFADHO CN(C)[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176502344 522095243 /nfs/dbraw/zinc/09/52/43/522095243.db2.gz ZYMUFDWIEPARIW-SFHVURJKSA-N 1 3 336.524 2.519 20 0 EFADHO C[N@H+](CCNC1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000157460474 522864010 /nfs/dbraw/zinc/86/40/10/522864010.db2.gz NWYQOULTDIFWPJ-UHFFFAOYSA-N 1 3 330.520 2.900 20 0 EFADHO C[N@@H+](CCNC1CCN(Cc2cccnc2)CC1)C1CCCCC1 ZINC000157460474 522864019 /nfs/dbraw/zinc/86/40/19/522864019.db2.gz NWYQOULTDIFWPJ-UHFFFAOYSA-N 1 3 330.520 2.900 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)CCCCC3)CC2)CC1 ZINC000116540458 523767856 /nfs/dbraw/zinc/76/78/56/523767856.db2.gz DISLMKOMOMRMSP-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1cc(C)cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000195341498 524427346 /nfs/dbraw/zinc/42/73/46/524427346.db2.gz UIUQXAODGBKKHQ-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000090028900 524429462 /nfs/dbraw/zinc/42/94/62/524429462.db2.gz QNSOBHDOCBMBMI-INIZCTEOSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262988724 524630899 /nfs/dbraw/zinc/63/08/99/524630899.db2.gz NMABLHDBBSMSNR-PXNSSMCTSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000236647555 524644674 /nfs/dbraw/zinc/64/46/74/524644674.db2.gz XDKIGHNCXDFXIB-SFHVURJKSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@H](Cc1ccc(Br)cc1)[NH2+]CCOCCN(C)C ZINC000219315141 524687625 /nfs/dbraw/zinc/68/76/25/524687625.db2.gz YOXHILCSDVCWAE-CYBMUJFWSA-N 1 3 329.282 2.548 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262988725 525007134 /nfs/dbraw/zinc/00/71/34/525007134.db2.gz NMABLHDBBSMSNR-XLIONFOSSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000263262283 525283806 /nfs/dbraw/zinc/28/38/06/525283806.db2.gz RDOYSHNTONNUCC-GGPKGHCWSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000153906252 525285193 /nfs/dbraw/zinc/28/51/93/525285193.db2.gz POHKSFFUTBOXLV-WSTZPKSXSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000153906556 525285784 /nfs/dbraw/zinc/28/57/84/525285784.db2.gz POHKSFFUTBOXLV-BJLQDIEVSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000263133392 525285867 /nfs/dbraw/zinc/28/58/67/525285867.db2.gz BWHHSJMBTNDTJK-IEZWGBDMSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(F)c(Br)c1 ZINC000219319871 525452213 /nfs/dbraw/zinc/45/22/13/525452213.db2.gz JHJPSPRYURUYEX-LLVKDONJSA-N 1 3 333.245 2.817 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(N2CCCC2=O)c1 ZINC000152437207 525503321 /nfs/dbraw/zinc/50/33/21/525503321.db2.gz MZJUZDKGCGNZTK-HZPDHXFCSA-N 1 3 327.472 2.948 20 0 EFADHO C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089593156 525589471 /nfs/dbraw/zinc/58/94/71/525589471.db2.gz OWORHMLBUMXHFS-SJORKVTESA-N 1 3 347.503 2.679 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000090454631 525653044 /nfs/dbraw/zinc/65/30/44/525653044.db2.gz NJXQWOPPYWAFKP-RHSMWYFYSA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@]1(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC000237586128 525800423 /nfs/dbraw/zinc/80/04/23/525800423.db2.gz IMOUKCGYLULBAJ-AZUAARDMSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000263118238 525863759 /nfs/dbraw/zinc/86/37/59/525863759.db2.gz ATGHHUYMVTYSHW-PZJWPPBQSA-N 1 3 343.515 2.717 20 0 EFADHO COc1cccc(C[C@H](NC[C@@H](O)C[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000121327951 526079234 /nfs/dbraw/zinc/07/92/34/526079234.db2.gz GORWCVSKMLYDIL-CTNGQTDRSA-N 1 3 346.515 2.699 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1[C@H](C)CC[C@@H]1C ZINC000245201461 526088185 /nfs/dbraw/zinc/08/81/85/526088185.db2.gz JQSVNOBWWRFXBL-IXDOHACOSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000262992844 526098033 /nfs/dbraw/zinc/09/80/33/526098033.db2.gz NZVANFFUMFGKGE-HYJFEMIMSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC2CC[NH2+]CC2)C1 ZINC000262934901 526100128 /nfs/dbraw/zinc/10/01/28/526100128.db2.gz IFCXWNLCUWLVEZ-VQIMIIECSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@H](CC(=O)Nc1cccc(OCCN(C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000261725616 526248767 /nfs/dbraw/zinc/24/87/67/526248767.db2.gz RDTFRHXHTOMMHH-CVEARBPZSA-N 1 3 333.476 2.591 20 0 EFADHO Cc1cc(C(=O)NC2CC[NH+](CC[C@H]3CCCN3C)CC2)c(C)o1 ZINC000120537141 526264362 /nfs/dbraw/zinc/26/43/62/526264362.db2.gz QWURMJBYPNUIMY-QGZVFWFLSA-N 1 3 333.476 2.575 20 0 EFADHO O=C(NCCN1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176375156 526305023 /nfs/dbraw/zinc/30/50/23/526305023.db2.gz CBMIESQWWFPXBL-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246174031 526540723 /nfs/dbraw/zinc/54/07/23/526540723.db2.gz JJYJAAGDYGMHPM-VQTJNVASSA-N 1 3 341.499 2.595 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NCc1cccc(CN(C)C)c1 ZINC000415907147 536470278 /nfs/dbraw/zinc/47/02/78/536470278.db2.gz ZXELNMNOQGEBDW-UHFFFAOYSA-N 1 3 326.444 2.789 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153206 527525720 /nfs/dbraw/zinc/52/57/20/527525720.db2.gz ASZXMJIENTVWAJ-GOSISDBHSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153206 527525729 /nfs/dbraw/zinc/52/57/29/527525729.db2.gz ASZXMJIENTVWAJ-GOSISDBHSA-N 1 3 341.499 2.642 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)C(C)C)c1 ZINC000158206531 527840884 /nfs/dbraw/zinc/84/08/84/527840884.db2.gz FPSFGZBMTIBYGK-UHFFFAOYSA-N 1 3 334.508 2.620 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCN(C)C)C(C)C)c1 ZINC000158206531 527840888 /nfs/dbraw/zinc/84/08/88/527840888.db2.gz FPSFGZBMTIBYGK-UHFFFAOYSA-N 1 3 334.508 2.620 20 0 EFADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000185262046 528066246 /nfs/dbraw/zinc/06/62/46/528066246.db2.gz XPPYVBDDBBUANE-SLFFLAALSA-N 1 3 346.515 2.935 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000154267746 529145012 /nfs/dbraw/zinc/14/50/12/529145012.db2.gz DVZAPQCFNJINJE-CYBMUJFWSA-N 1 3 329.410 2.782 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000359468876 535015293 /nfs/dbraw/zinc/01/52/93/535015293.db2.gz QGIWOOSIGYCTKK-RYRKJORJSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000359468876 535015295 /nfs/dbraw/zinc/01/52/95/535015295.db2.gz QGIWOOSIGYCTKK-RYRKJORJSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[C@H](CNC1CCN(Cc2ccccn2)CC1)[NH+]1CCCC1 ZINC000359850416 535017673 /nfs/dbraw/zinc/01/76/73/535017673.db2.gz AFCIMUGBARWZLY-FQEVSTJZSA-N 1 3 330.520 2.756 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000355931847 535059643 /nfs/dbraw/zinc/05/96/43/535059643.db2.gz CLKQNFJWNWBHQB-ZWKOTPCHSA-N 1 3 340.556 2.867 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C[C@H](c2ccccc2)N(C)C)CC1 ZINC000433342251 535067503 /nfs/dbraw/zinc/06/75/03/535067503.db2.gz ITCSIHFDQGTQQW-LJQANCHMSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000433342250 535067533 /nfs/dbraw/zinc/06/75/33/535067533.db2.gz ITCSIHFDQGTQQW-IBGZPJMESA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)n1ncc2cc(CN3CCC([C@H]4CC[NH2+]C4)CC3)cnc21 ZINC000357057623 535138274 /nfs/dbraw/zinc/13/82/74/535138274.db2.gz UPBFJKDCQFNMHS-KRWDZBQOSA-N 1 3 327.476 2.834 20 0 EFADHO CC1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000418499685 535139528 /nfs/dbraw/zinc/13/95/28/535139528.db2.gz MGIAKAOESRLSJF-GOSISDBHSA-N 1 3 340.471 2.529 20 0 EFADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414746555 535166171 /nfs/dbraw/zinc/16/61/71/535166171.db2.gz RBVURAZLWSLVFI-DNVCBOLYSA-N 1 3 335.467 2.652 20 0 EFADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414746555 535166179 /nfs/dbraw/zinc/16/61/79/535166179.db2.gz RBVURAZLWSLVFI-DNVCBOLYSA-N 1 3 335.467 2.652 20 0 EFADHO CCCN(C(=O)C1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236743998 535197995 /nfs/dbraw/zinc/19/79/95/535197995.db2.gz PGOAFXVJJJCECX-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1)C1CC[NH2+]CC1 ZINC000418367128 535219619 /nfs/dbraw/zinc/21/96/19/535219619.db2.gz YXSVSBGQVCJOKA-LJQANCHMSA-N 1 3 346.519 2.983 20 0 EFADHO CCCN(CCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1OC ZINC000359185534 535329221 /nfs/dbraw/zinc/32/92/21/535329221.db2.gz FPHZYWAANIXKNZ-UHFFFAOYSA-N 1 3 333.476 2.735 20 0 EFADHO CCN1CCC([NH2+]C[C@H]2OCCN(CC)[C@@H]2c2ccccc2)CC1 ZINC000344839841 535474047 /nfs/dbraw/zinc/47/40/47/535474047.db2.gz CAOIAAZNAHGECU-WOJBJXKFSA-N 1 3 331.504 2.522 20 0 EFADHO CCN1CCO[C@H](CNC2CC[NH+](CC)CC2)[C@H]1c1ccccc1 ZINC000344839841 535474051 /nfs/dbraw/zinc/47/40/51/535474051.db2.gz CAOIAAZNAHGECU-WOJBJXKFSA-N 1 3 331.504 2.522 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000351273715 535509433 /nfs/dbraw/zinc/50/94/33/535509433.db2.gz XFAFFHOFLRXTDM-OALUTQOASA-N 1 3 339.568 2.930 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000343458894 535525382 /nfs/dbraw/zinc/52/53/82/535525382.db2.gz GXMMFYSYYDBSNR-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)cc2)[C@H](C)C1 ZINC000343458894 535525388 /nfs/dbraw/zinc/52/53/88/535525388.db2.gz GXMMFYSYYDBSNR-GIVPXCGWSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000343458896 535527439 /nfs/dbraw/zinc/52/74/39/535527439.db2.gz GXMMFYSYYDBSNR-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000343458896 535527440 /nfs/dbraw/zinc/52/74/40/535527440.db2.gz GXMMFYSYYDBSNR-JBACZVJFSA-N 1 3 348.531 2.625 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000414783967 535558936 /nfs/dbraw/zinc/55/89/36/535558936.db2.gz IBZUKAOMSBOLNX-HZPDHXFCSA-N 1 3 348.491 2.621 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)CNC2 ZINC000347650377 535593731 /nfs/dbraw/zinc/59/37/31/535593731.db2.gz HRRGFGPVBXRDCE-IEBWSBKVSA-N 1 3 329.488 2.920 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)c(F)cc1F ZINC000349080315 535594405 /nfs/dbraw/zinc/59/44/05/535594405.db2.gz ULJQEELBNIMSAG-HNNXBMFYSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)c(F)cc1F ZINC000349080315 535594408 /nfs/dbraw/zinc/59/44/08/535594408.db2.gz ULJQEELBNIMSAG-HNNXBMFYSA-N 1 3 343.437 2.952 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000359207709 535595301 /nfs/dbraw/zinc/59/53/01/535595301.db2.gz QRGIMFSQOFMCJZ-LPHOPBHVSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000359207709 535595302 /nfs/dbraw/zinc/59/53/02/535595302.db2.gz QRGIMFSQOFMCJZ-LPHOPBHVSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)cc(F)c1 ZINC000349059047 535595378 /nfs/dbraw/zinc/59/53/78/535595378.db2.gz BCUWIYADVYVCGE-SFHVURJKSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(F)cc(F)c1 ZINC000349059047 535595381 /nfs/dbraw/zinc/59/53/81/535595381.db2.gz BCUWIYADVYVCGE-SFHVURJKSA-N 1 3 325.447 2.813 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCN(C)C2CC2)cc1 ZINC000353027908 535605240 /nfs/dbraw/zinc/60/52/40/535605240.db2.gz FMCWCPMKJCTBGL-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)cc1 ZINC000343592357 535606495 /nfs/dbraw/zinc/60/64/95/535606495.db2.gz CQAMGARPLNCPTL-APWZRJJASA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359372136 535673497 /nfs/dbraw/zinc/67/34/97/535673497.db2.gz FNINFZKLQOGWQS-IEBWSBKVSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000352096982 535698608 /nfs/dbraw/zinc/69/86/08/535698608.db2.gz HBQWNPFQEIHQFS-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421822111 535698851 /nfs/dbraw/zinc/69/88/51/535698851.db2.gz VVWFNMCGYFNOHI-FQEVSTJZSA-N 1 3 349.494 2.903 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000352840269 535698927 /nfs/dbraw/zinc/69/89/27/535698927.db2.gz MWHMTAPRRIUXQU-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000349713825 535718183 /nfs/dbraw/zinc/71/81/83/535718183.db2.gz LTNPBTMFJDCHJL-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000344693496 535753842 /nfs/dbraw/zinc/75/38/42/535753842.db2.gz KPEGSWYDFRSEIK-RTBURBONSA-N 1 3 331.504 2.732 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2(N3CCC(OC)CC3)CCCC2)[C@H](C)C1 ZINC000347436018 535768958 /nfs/dbraw/zinc/76/89/58/535768958.db2.gz VTYXFSMZJHQZII-MJGOQNOKSA-N 1 3 337.552 2.730 20 0 EFADHO CCN(Cc1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1)C1CC1 ZINC000342595366 535782734 /nfs/dbraw/zinc/78/27/34/535782734.db2.gz BLQVECDVIAIFOS-UHFFFAOYSA-N 1 3 329.488 2.790 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1)C1CC1 ZINC000342606474 535782971 /nfs/dbraw/zinc/78/29/71/535782971.db2.gz MKIKKXYSSRZAGL-FQEVSTJZSA-N 1 3 329.488 2.790 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000359315242 535889365 /nfs/dbraw/zinc/88/93/65/535889365.db2.gz QTXKMBRAVWMKEW-RTBURBONSA-N 1 3 329.488 2.646 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000353547941 535893622 /nfs/dbraw/zinc/89/36/22/535893622.db2.gz FZNXYWVJWUUCSU-UHFFFAOYSA-N 1 3 346.450 2.758 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000342415567 535920022 /nfs/dbraw/zinc/92/00/22/535920022.db2.gz FBLJSRZURGYRNN-IBGZPJMESA-N 1 3 325.456 2.669 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000418659108 535977428 /nfs/dbraw/zinc/97/74/28/535977428.db2.gz WXZMWJRXVYRLLJ-IBGZPJMESA-N 1 3 346.519 2.799 20 0 EFADHO CN(C)Cc1ccc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000350782035 535994486 /nfs/dbraw/zinc/99/44/86/535994486.db2.gz IEVGSNDXEWKMHB-ZXFUBFMLSA-N 1 3 326.444 2.871 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC000342913080 536007554 /nfs/dbraw/zinc/00/75/54/536007554.db2.gz GXRGSOUGVWKFMU-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000342913080 536007557 /nfs/dbraw/zinc/00/75/57/536007557.db2.gz GXRGSOUGVWKFMU-IBGZPJMESA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000355817199 536021678 /nfs/dbraw/zinc/02/16/78/536021678.db2.gz HMTDMJIQSQFRER-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000345936780 536048666 /nfs/dbraw/zinc/04/86/66/536048666.db2.gz QKQHHOCTLOCGSQ-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342833476 536366616 /nfs/dbraw/zinc/36/66/16/536366616.db2.gz BCZVKRMIMHCBRA-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342833476 536366618 /nfs/dbraw/zinc/36/66/18/536366618.db2.gz BCZVKRMIMHCBRA-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)Cc2ccccc21 ZINC000425895295 536485455 /nfs/dbraw/zinc/48/54/55/536485455.db2.gz IQGIVSIZMCAPSW-OAHLLOKOSA-N 1 3 340.471 2.540 20 0 EFADHO COC1(C[NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CCCCC1 ZINC000359668767 536680894 /nfs/dbraw/zinc/68/08/94/536680894.db2.gz DBLOMWQLDNOPPP-LJQANCHMSA-N 1 3 332.488 2.692 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c(OC)c1 ZINC000414790919 536779886 /nfs/dbraw/zinc/77/98/86/536779886.db2.gz ARAADCGRZILHAS-OFQRWUPVSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c(OC)c1 ZINC000414790919 536779893 /nfs/dbraw/zinc/77/98/93/536779893.db2.gz ARAADCGRZILHAS-OFQRWUPVSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CN)c(OC)c1 ZINC000414790916 536781427 /nfs/dbraw/zinc/78/14/27/536781427.db2.gz ARAADCGRZILHAS-LZWOXQAQSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000414790916 536781433 /nfs/dbraw/zinc/78/14/33/536781433.db2.gz ARAADCGRZILHAS-LZWOXQAQSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000351472673 536857949 /nfs/dbraw/zinc/85/79/49/536857949.db2.gz BPPBIKJFEZBJES-HNAYVOBHSA-N 1 3 332.488 2.751 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)C2CC2)cc1 ZINC000351472673 536857951 /nfs/dbraw/zinc/85/79/51/536857951.db2.gz BPPBIKJFEZBJES-HNAYVOBHSA-N 1 3 332.488 2.751 20 0 EFADHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261545539 545619698 /nfs/dbraw/zinc/61/96/98/545619698.db2.gz BUHWNTZNYUYHRZ-FFZOFVMBSA-N 1 3 337.467 2.713 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261871774 545621998 /nfs/dbraw/zinc/62/19/98/545621998.db2.gz XYDJPYWLMPVZHW-QFBILLFUSA-N 1 3 329.488 2.593 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000280222694 545653086 /nfs/dbraw/zinc/65/30/86/545653086.db2.gz UVFFJKMZUPTOAC-YJBOKZPZSA-N 1 3 348.487 2.782 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000280222694 545653089 /nfs/dbraw/zinc/65/30/89/545653089.db2.gz UVFFJKMZUPTOAC-YJBOKZPZSA-N 1 3 348.487 2.782 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccnn1-c1ccccc1 ZINC000281164202 545659910 /nfs/dbraw/zinc/65/99/10/545659910.db2.gz HGWCGPMLSQKPKH-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338997125 545920116 /nfs/dbraw/zinc/92/01/16/545920116.db2.gz SVVAGGPSMPHKAL-QGZVFWFLSA-N 1 3 348.535 2.927 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)CC[N@H+]2CCCC[C@@H]2C)o1 ZINC000339255945 545925444 /nfs/dbraw/zinc/92/54/44/545925444.db2.gz JNOAULVLOPVZPT-INIZCTEOSA-N 1 3 335.492 2.743 20 0 EFADHO Cc1ccc(CN(CCN(C)C)C(=O)CC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000339255945 545925446 /nfs/dbraw/zinc/92/54/46/545925446.db2.gz JNOAULVLOPVZPT-INIZCTEOSA-N 1 3 335.492 2.743 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339347357 545928304 /nfs/dbraw/zinc/92/83/04/545928304.db2.gz AZRPYNHNFQNNMJ-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339347357 545928306 /nfs/dbraw/zinc/92/83/06/545928306.db2.gz AZRPYNHNFQNNMJ-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000351143180 546039811 /nfs/dbraw/zinc/03/98/11/546039811.db2.gz KDQZVEQNUKULLV-JAZQRGJZSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000351143180 546039814 /nfs/dbraw/zinc/03/98/14/546039814.db2.gz KDQZVEQNUKULLV-JAZQRGJZSA-N 1 3 340.552 2.731 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352089496 546046879 /nfs/dbraw/zinc/04/68/79/546046879.db2.gz MRJRKQGPCTWTPW-SCTDSRPQSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@@H]2c2ccccc2)CC1 ZINC000353206648 546058149 /nfs/dbraw/zinc/05/81/49/546058149.db2.gz RZKCVFHEAKLXTF-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CN1CCC(O)(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000361886779 546135880 /nfs/dbraw/zinc/13/58/80/546135880.db2.gz APGBHDYCPGDGHC-CQSZACIVSA-N 1 3 326.893 2.923 20 0 EFADHO CN1CCC(O)(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000361886776 546136169 /nfs/dbraw/zinc/13/61/69/546136169.db2.gz APGBHDYCPGDGHC-AWEZNQCLSA-N 1 3 326.893 2.923 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390737334 546162869 /nfs/dbraw/zinc/16/28/69/546162869.db2.gz JLESGSAWGVBOFJ-OALUTQOASA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000398127677 546170514 /nfs/dbraw/zinc/17/05/14/546170514.db2.gz ILSQKKWKXSTXLL-NZSAHSFTSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000398127680 546170794 /nfs/dbraw/zinc/17/07/94/546170794.db2.gz ILSQKKWKXSTXLL-YTQUADARSA-N 1 3 331.504 2.777 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000414335657 546189262 /nfs/dbraw/zinc/18/92/62/546189262.db2.gz HLGHWUVGBYZETK-UXHICEINSA-N 1 3 341.499 2.662 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417689976 546210823 /nfs/dbraw/zinc/21/08/23/546210823.db2.gz KOLVXTPENRMIFJ-SZVBFZGTSA-N 1 3 344.503 2.781 20 0 EFADHO CC[C@@]1(CO)CCCN([C@H](C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460923 546221113 /nfs/dbraw/zinc/22/11/13/546221113.db2.gz NVVVGPHCWNUSCK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CC[C@@]1(CO)CCCN([C@H](C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426460923 546221116 /nfs/dbraw/zinc/22/11/16/546221116.db2.gz NVVVGPHCWNUSCK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000439165291 546236089 /nfs/dbraw/zinc/23/60/89/546236089.db2.gz HMTUROLZKZMCIX-OAHLLOKOSA-N 1 3 340.537 2.552 20 0 EFADHO C[C@H]1CN(CCOC2CCCCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000490633028 546279708 /nfs/dbraw/zinc/27/97/08/546279708.db2.gz WDTBGEAOOVBWKO-AZUAARDMSA-N 1 3 337.552 2.684 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC000655411399 546437820 /nfs/dbraw/zinc/43/78/20/546437820.db2.gz SLNDPZBMJREHFA-NLWGTHIKSA-N 1 3 329.488 2.575 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccccc1 ZINC000655411401 546437906 /nfs/dbraw/zinc/43/79/06/546437906.db2.gz SLNDPZBMJREHFA-NSHGMRRFSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000655446523 546450029 /nfs/dbraw/zinc/45/00/29/546450029.db2.gz DPIGDCDQUHQWQE-RBAQFSTRSA-N 1 3 341.499 2.545 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCN1Cc1ccccc1 ZINC000655446524 546450490 /nfs/dbraw/zinc/45/04/90/546450490.db2.gz DPIGDCDQUHQWQE-RDPOXOKHSA-N 1 3 341.499 2.545 20 0 EFADHO CCC(CC)[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)N(C)C ZINC000655687209 546532404 /nfs/dbraw/zinc/53/24/04/546532404.db2.gz MONHWPWQLKBNLO-MOPGFXCFSA-N 1 3 325.541 2.586 20 0 EFADHO CC[C@H]1CCCN(C(C)(C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)C1 ZINC000655711844 546544838 /nfs/dbraw/zinc/54/48/38/546544838.db2.gz OCPFBUVECJHSRB-HKUYNNGSSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000655751001 546566231 /nfs/dbraw/zinc/56/62/31/546566231.db2.gz IWXORQGSGMMIEE-UEXGIBASSA-N 1 3 349.563 2.872 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000655753222 546567045 /nfs/dbraw/zinc/56/70/45/546567045.db2.gz ZUFJBMRGSAUCKH-IBGZPJMESA-N 1 3 347.503 2.682 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000655856232 546611380 /nfs/dbraw/zinc/61/13/80/546611380.db2.gz LYKCHPRVYZSCEU-WOJBJXKFSA-N 1 3 331.504 2.734 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000655856228 546611735 /nfs/dbraw/zinc/61/17/35/546611735.db2.gz LYKCHPRVYZSCEU-UXHICEINSA-N 1 3 331.504 2.734 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCc2noc3ccccc32)CC1 ZINC000655940461 546649867 /nfs/dbraw/zinc/64/98/67/546649867.db2.gz SOJRKJKKHXVQKK-QFBILLFUSA-N 1 3 329.444 2.589 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(CCc3noc4ccccc43)CC2)C1 ZINC000655940352 546650193 /nfs/dbraw/zinc/65/01/93/546650193.db2.gz RYLJRFMIAICJGI-KXBFYZLASA-N 1 3 329.444 2.589 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCc3noc4ccccc43)CC2)C1 ZINC000655940351 546650396 /nfs/dbraw/zinc/65/03/96/546650396.db2.gz RYLJRFMIAICJGI-HNAYVOBHSA-N 1 3 329.444 2.589 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655963960 546652674 /nfs/dbraw/zinc/65/26/74/546652674.db2.gz VGBHHVXZAKQMMN-ZWKOTPCHSA-N 1 3 336.524 2.615 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N[C@H]1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000655968169 546654925 /nfs/dbraw/zinc/65/49/25/546654925.db2.gz OMCFLTRAOYRSCU-GBESFXJTSA-N 1 3 344.503 2.783 20 0 EFADHO CN(C)Cc1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000656264442 546756430 /nfs/dbraw/zinc/75/64/30/546756430.db2.gz XMMIBJXOZQFCKA-QGZVFWFLSA-N 1 3 335.467 2.943 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656267524 546757873 /nfs/dbraw/zinc/75/78/73/546757873.db2.gz FSFCDWHCIVTUFL-IBGZPJMESA-N 1 3 336.439 2.594 20 0 EFADHO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656500028 546820838 /nfs/dbraw/zinc/82/08/38/546820838.db2.gz TXQVQWIPKWAHJG-JXFKEZNVSA-N 1 3 325.456 2.805 20 0 EFADHO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000656500031 546820887 /nfs/dbraw/zinc/82/08/87/546820887.db2.gz TXQVQWIPKWAHJG-UZLBHIALSA-N 1 3 325.456 2.805 20 0 EFADHO Cn1c2ccc(CN3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2sc1=O ZINC000656783650 546923091 /nfs/dbraw/zinc/92/30/91/546923091.db2.gz SGGGZODVQDIBMU-MRXNPFEDSA-N 1 3 345.512 2.812 20 0 EFADHO Fc1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1-n1cncn1 ZINC000656785160 546923403 /nfs/dbraw/zinc/92/34/03/546923403.db2.gz JULUYKJSQRLLRP-KRWDZBQOSA-N 1 3 343.450 2.618 20 0 EFADHO Cn1c2ccc(CN3CCC([C@H]4CCC[NH2+]C4)CC3)cc2sc1=O ZINC000656787495 546923834 /nfs/dbraw/zinc/92/38/34/546923834.db2.gz ZKDNCHCWEMPNQN-INIZCTEOSA-N 1 3 345.512 2.812 20 0 EFADHO COCCOc1ccccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786169 546924312 /nfs/dbraw/zinc/92/43/12/546924312.db2.gz LNRUDDQVLWLKIK-SFHVURJKSA-N 1 3 332.488 2.923 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786272 546924604 /nfs/dbraw/zinc/92/46/04/546924604.db2.gz RIJGUMZFSFRBCB-INIZCTEOSA-N 1 3 348.487 2.924 20 0 EFADHO [NH3+]C1(CNC2CCN(C(=O)c3ccccc3Cl)CC2)CCCC1 ZINC000656789625 546925663 /nfs/dbraw/zinc/92/56/63/546925663.db2.gz SYENTPAGFOXNPG-UHFFFAOYSA-N 1 3 335.879 2.806 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657307987 547102439 /nfs/dbraw/zinc/10/24/39/547102439.db2.gz LIMIHBVHOUCEGE-UHFFFAOYSA-N 1 3 328.504 2.984 20 0 EFADHO CC(C)n1ccnc1CNCCc1ccc(OCC[NH+](C)C)cc1 ZINC000657352300 547126438 /nfs/dbraw/zinc/12/64/38/547126438.db2.gz YYMTVROTBXCOLZ-UHFFFAOYSA-N 1 3 330.476 2.737 20 0 EFADHO COCc1csc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000657367175 547133611 /nfs/dbraw/zinc/13/36/11/547133611.db2.gz MIYAAOWXJWWEON-GJZGRUSLSA-N 1 3 326.506 2.874 20 0 EFADHO COCc1csc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000657367172 547133830 /nfs/dbraw/zinc/13/38/30/547133830.db2.gz MIYAAOWXJWWEON-GASCZTMLSA-N 1 3 326.506 2.874 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1C[NH2+]C1CCN(C2CCCC2)CC1 ZINC000657386332 547139986 /nfs/dbraw/zinc/13/99/86/547139986.db2.gz FIEWORVTNBQGJX-QFBILLFUSA-N 1 3 346.519 2.884 20 0 EFADHO Cn1ccnc1[C@@H]1OCCC[C@H]1CNC1CC[NH+](C2CCCC2)CC1 ZINC000657386332 547139991 /nfs/dbraw/zinc/13/99/91/547139991.db2.gz FIEWORVTNBQGJX-QFBILLFUSA-N 1 3 346.519 2.884 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000657826640 547295409 /nfs/dbraw/zinc/29/54/09/547295409.db2.gz JOTZITWHIPVYDQ-QGZVFWFLSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cc2ccncc2s1 ZINC000657831873 547296474 /nfs/dbraw/zinc/29/64/74/547296474.db2.gz DLBHKRCGARYGPQ-CQSZACIVSA-N 1 3 332.517 2.973 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835444 547297253 /nfs/dbraw/zinc/29/72/53/547297253.db2.gz GGOPBXCBPWNBRI-KGLIPLIRSA-N 1 3 326.435 2.696 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835437 547297480 /nfs/dbraw/zinc/29/74/80/547297480.db2.gz GGOPBXCBPWNBRI-KBPBESRZSA-N 1 3 326.435 2.696 20 0 EFADHO CCOC1CCC([NH2+]CCCN2CCN(c3ccncc3)CC2)CC1 ZINC000657862551 547304620 /nfs/dbraw/zinc/30/46/20/547304620.db2.gz FHLWDFMEGXIGET-UHFFFAOYSA-N 1 3 346.519 2.531 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C(C)(C)C)C2)[C@@H](C)C1 ZINC000658094584 547354632 /nfs/dbraw/zinc/35/46/32/547354632.db2.gz YTOHRLFOGVXILF-BZSNNMDCSA-N 1 3 325.541 2.586 20 0 EFADHO Cc1nccnc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166364 547378401 /nfs/dbraw/zinc/37/84/01/547378401.db2.gz OABBAOWSGMSGII-MRXNPFEDSA-N 1 3 325.460 2.743 20 0 EFADHO Cc1nn(C)cc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166189 547379056 /nfs/dbraw/zinc/37/90/56/547379056.db2.gz MYDHSAXPTVKPFY-HNNXBMFYSA-N 1 3 327.476 2.686 20 0 EFADHO c1csc([C@@H](NCC2CC[NH+](CC3CC3)CC2)c2nnc[nH]2)c1 ZINC000658353766 547425224 /nfs/dbraw/zinc/42/52/24/547425224.db2.gz RPLJSGFBZNMSFF-MRXNPFEDSA-N 1 3 331.489 2.667 20 0 EFADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C1CC[NH+](C)CC1 ZINC000673670758 547931324 /nfs/dbraw/zinc/93/13/24/547931324.db2.gz PCKWYAYJPJGOMY-CQSZACIVSA-N 1 3 343.471 2.955 20 0 EFADHO O=C(N[C@H]1CCN(CC2CC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673851865 547972702 /nfs/dbraw/zinc/97/27/02/547972702.db2.gz SJQVNQFDTWIKLL-SFHVURJKSA-N 1 3 348.535 2.567 20 0 EFADHO COC[C@H]1CCCN1Cc1ccccc1C[N@@H+]1CCC[C@H]1COC ZINC000674500344 548099345 /nfs/dbraw/zinc/09/93/45/548099345.db2.gz VVJOYZQNVDQNJW-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCCN1Cc1ccccc1C[N@H+]1CCC[C@H]1COC ZINC000674500344 548099349 /nfs/dbraw/zinc/09/93/49/548099349.db2.gz VVJOYZQNVDQNJW-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCC[N@H+]1Cc1ccccc1CN1CCC[C@H]1COC ZINC000674500344 548099352 /nfs/dbraw/zinc/09/93/52/548099352.db2.gz VVJOYZQNVDQNJW-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCC[N@@H+]1Cc1ccccc1CN1CCC[C@H]1COC ZINC000674500344 548099356 /nfs/dbraw/zinc/09/93/56/548099356.db2.gz VVJOYZQNVDQNJW-BGYRXZFFSA-N 1 3 332.488 2.908 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000675188797 548224007 /nfs/dbraw/zinc/22/40/07/548224007.db2.gz PMHRDDJWKQFEQF-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000675199382 548229467 /nfs/dbraw/zinc/22/94/67/548229467.db2.gz IXTAKGWYFPVNNV-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC1CCN(CCn2ccccc2=O)CC1 ZINC000675641799 548323438 /nfs/dbraw/zinc/32/34/38/548323438.db2.gz WLOKNPVSZMRGTP-SFHVURJKSA-N 1 3 331.504 2.825 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC1CCN(CCn2ccccc2=O)CC1 ZINC000675641799 548323442 /nfs/dbraw/zinc/32/34/42/548323442.db2.gz WLOKNPVSZMRGTP-SFHVURJKSA-N 1 3 331.504 2.825 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000675734021 548341765 /nfs/dbraw/zinc/34/17/65/548341765.db2.gz VDLPDCQTRHKHAV-RXVVDRJESA-N 1 3 345.531 2.740 20 0 EFADHO COc1ccc(-n2ccc(CN[C@@H](C)C3CC[NH+](C)CC3)n2)cc1 ZINC000675817305 548358563 /nfs/dbraw/zinc/35/85/63/548358563.db2.gz OEWAOSGHJDSDQW-HNNXBMFYSA-N 1 3 328.460 2.701 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CCCCc3ccccc32)C1 ZINC000675821291 548359195 /nfs/dbraw/zinc/35/91/95/548359195.db2.gz HMZDYGZNPRMVDW-MJGOQNOKSA-N 1 3 329.488 2.631 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCCc3ccccc32)C1 ZINC000675821291 548359199 /nfs/dbraw/zinc/35/91/99/548359199.db2.gz HMZDYGZNPRMVDW-MJGOQNOKSA-N 1 3 329.488 2.631 20 0 EFADHO COC1CCN(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000675929482 548377519 /nfs/dbraw/zinc/37/75/19/548377519.db2.gz HOMVUGUIBQCWSJ-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO COC1CCN(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000675929482 548377521 /nfs/dbraw/zinc/37/75/21/548377521.db2.gz HOMVUGUIBQCWSJ-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccccc1C[N@@H+]1CCCOC[C@@H]1C ZINC000677896433 548789694 /nfs/dbraw/zinc/78/96/94/548789694.db2.gz RQMLTTKRTVGMMJ-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCCN1Cc1ccccc1C[N@H+]1CCCOC[C@@H]1C ZINC000677896433 548789697 /nfs/dbraw/zinc/78/96/97/548789697.db2.gz RQMLTTKRTVGMMJ-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCC[N@H+]1Cc1ccccc1CN1CCCOC[C@@H]1C ZINC000677896433 548789699 /nfs/dbraw/zinc/78/96/99/548789699.db2.gz RQMLTTKRTVGMMJ-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1COCCC[N@@H+]1Cc1ccccc1CN1CCCOC[C@@H]1C ZINC000677896433 548789703 /nfs/dbraw/zinc/78/97/03/548789703.db2.gz RQMLTTKRTVGMMJ-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO CCN1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000678261751 548881839 /nfs/dbraw/zinc/88/18/39/548881839.db2.gz RERPGBSOZAIJDO-GOSISDBHSA-N 1 3 344.547 2.743 20 0 EFADHO CN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C(C)(C)C1 ZINC000678268542 548882646 /nfs/dbraw/zinc/88/26/46/548882646.db2.gz IVCVEJFOOIQGFL-UHFFFAOYSA-N 1 3 331.504 2.687 20 0 EFADHO CCC1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678277269 548887032 /nfs/dbraw/zinc/88/70/32/548887032.db2.gz HVOMGWUIUVGOLA-UHFFFAOYSA-N 1 3 332.488 2.898 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000678285340 548889498 /nfs/dbraw/zinc/88/94/98/548889498.db2.gz WRYYWCSDAYHTKI-UHFFFAOYSA-N 1 3 348.535 2.718 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccc(N(C)C)nc2)CC1 ZINC000678285340 548889501 /nfs/dbraw/zinc/88/95/01/548889501.db2.gz WRYYWCSDAYHTKI-UHFFFAOYSA-N 1 3 348.535 2.718 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000678286087 548890486 /nfs/dbraw/zinc/89/04/86/548890486.db2.gz ZVBYZFKRMVVMCI-PTUVJSPFSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000678286087 548890492 /nfs/dbraw/zinc/89/04/92/548890492.db2.gz ZVBYZFKRMVVMCI-PTUVJSPFSA-N 1 3 331.479 2.797 20 0 EFADHO C[C@@H]1CN(Cc2nccc3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000678285764 548890518 /nfs/dbraw/zinc/89/05/18/548890518.db2.gz BUWMHAOMNZDLFQ-UTKZUKDTSA-N 1 3 338.499 2.693 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000678339498 548902604 /nfs/dbraw/zinc/90/26/04/548902604.db2.gz NNIXBCNTKTXPRF-QFBILLFUSA-N 1 3 337.471 2.716 20 0 EFADHO c1ncn(-c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000678339498 548902608 /nfs/dbraw/zinc/90/26/08/548902608.db2.gz NNIXBCNTKTXPRF-QFBILLFUSA-N 1 3 337.471 2.716 20 0 EFADHO Cn1ccc(C[N@H+](C)CCC2CCN(c3ccncc3)CC2)cc1=O ZINC000678464809 548933322 /nfs/dbraw/zinc/93/33/22/548933322.db2.gz KEIQLIQFEUZTFK-UHFFFAOYSA-N 1 3 340.471 2.519 20 0 EFADHO Cn1ccc(C[N@@H+](C)CCC2CCN(c3ccncc3)CC2)cc1=O ZINC000678464809 548933325 /nfs/dbraw/zinc/93/33/25/548933325.db2.gz KEIQLIQFEUZTFK-UHFFFAOYSA-N 1 3 340.471 2.519 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000678603381 548960009 /nfs/dbraw/zinc/96/00/09/548960009.db2.gz SXNXLNQMFISMDD-IRXDYDNUSA-N 1 3 342.491 2.681 20 0 EFADHO C[C@@H](CCc1ccccc1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678828139 548997330 /nfs/dbraw/zinc/99/73/30/548997330.db2.gz VUGFKMAWHPOFPR-FPOVZHCZSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@@H](CCc1ccccc1)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678828139 548997337 /nfs/dbraw/zinc/99/73/37/548997337.db2.gz VUGFKMAWHPOFPR-FPOVZHCZSA-N 1 3 329.532 2.967 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000678858919 549005276 /nfs/dbraw/zinc/00/52/76/549005276.db2.gz UPDOBDZHTXXVBJ-IRXDYDNUSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](O)[C@@H]1CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679628872 549161365 /nfs/dbraw/zinc/16/13/65/549161365.db2.gz MYYYOCSBSXITPD-IEBWSBKVSA-N 1 3 332.488 2.754 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680271444 549285488 /nfs/dbraw/zinc/28/54/88/549285488.db2.gz XDWAXVMEHPOZGS-VNTMZGSJSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000680271444 549285494 /nfs/dbraw/zinc/28/54/94/549285494.db2.gz XDWAXVMEHPOZGS-VNTMZGSJSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]([NH2+]CC(=O)NC1CCN(C2CC2)CC1)[C@H](C)C1CCCCC1 ZINC000680399616 549316459 /nfs/dbraw/zinc/31/64/59/549316459.db2.gz IJQAXEJIXYHFTP-JKSUJKDBSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1 ZINC000681008982 549440377 /nfs/dbraw/zinc/44/03/77/549440377.db2.gz NINNHBMXAZBFFV-VQTJNVASSA-N 1 3 332.488 2.922 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000681313187 549507865 /nfs/dbraw/zinc/50/78/65/549507865.db2.gz PAJLHAKQLGMGNC-HUUCEWRRSA-N 1 3 333.476 2.509 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000681313186 549508397 /nfs/dbraw/zinc/50/83/97/549508397.db2.gz PAJLHAKQLGMGNC-GJZGRUSLSA-N 1 3 333.476 2.509 20 0 EFADHO COC1CCN(CC[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000681393004 549526142 /nfs/dbraw/zinc/52/61/42/549526142.db2.gz YMFOHZGLGHGYAH-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000681393004 549526145 /nfs/dbraw/zinc/52/61/45/549526145.db2.gz YMFOHZGLGHGYAH-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO COC1CCN(CCN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000681393004 549526149 /nfs/dbraw/zinc/52/61/49/549526149.db2.gz YMFOHZGLGHGYAH-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000681399519 549527592 /nfs/dbraw/zinc/52/75/92/549527592.db2.gz WOYBNDYMDMXQFO-LIRRHRJNSA-N 1 3 330.451 2.969 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000683435904 549899749 /nfs/dbraw/zinc/89/97/49/549899749.db2.gz FEGWJLJNEMFYLJ-IBGZPJMESA-N 1 3 331.504 2.734 20 0 EFADHO Cn1cc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000683844138 549953913 /nfs/dbraw/zinc/95/39/13/549953913.db2.gz KSRFMKNDTSIIDG-IYBDPMFKSA-N 1 3 336.439 2.827 20 0 EFADHO Cn1cc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c(-c2cc3ccccc3o2)n1 ZINC000683844138 549953915 /nfs/dbraw/zinc/95/39/15/549953915.db2.gz KSRFMKNDTSIIDG-IYBDPMFKSA-N 1 3 336.439 2.827 20 0 EFADHO CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684569174 550059849 /nfs/dbraw/zinc/05/98/49/550059849.db2.gz YJUSIRVWMAULMZ-OAHLLOKOSA-N 1 3 328.460 2.626 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000684792219 550094534 /nfs/dbraw/zinc/09/45/34/550094534.db2.gz DCGQTFKDOPFYNX-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000684792219 550094536 /nfs/dbraw/zinc/09/45/36/550094536.db2.gz DCGQTFKDOPFYNX-MJGOQNOKSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000684792220 550094556 /nfs/dbraw/zinc/09/45/56/550094556.db2.gz DCGQTFKDOPFYNX-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CCN(CC2CC2)C1 ZINC000684792220 550094558 /nfs/dbraw/zinc/09/45/58/550094558.db2.gz DCGQTFKDOPFYNX-PKOBYXMFSA-N 1 3 348.535 2.567 20 0 EFADHO CCC[C@]1(CO)CCN(C/C=C\C[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000685056287 550131134 /nfs/dbraw/zinc/13/11/34/550131134.db2.gz LDXMZKXABVYPCF-XHHZUUQWSA-N 1 3 338.536 2.512 20 0 EFADHO CCC[C@]1(CO)CCN(C/C=C\C[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000685056287 550131136 /nfs/dbraw/zinc/13/11/36/550131136.db2.gz LDXMZKXABVYPCF-XHHZUUQWSA-N 1 3 338.536 2.512 20 0 EFADHO CN(Cc1scnc1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457623 550154170 /nfs/dbraw/zinc/15/41/70/550154170.db2.gz HIUCELVAZSKCJV-INIZCTEOSA-N 1 3 334.533 2.621 20 0 EFADHO CN(C[C@@H]1CCOc2ccccc21)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457226 550154611 /nfs/dbraw/zinc/15/46/11/550154611.db2.gz MIVJZGIXYLOSJA-HKUYNNGSSA-N 1 3 343.515 2.653 20 0 EFADHO CN(C[C@@H]1CCOc2ccccc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457226 550154612 /nfs/dbraw/zinc/15/46/12/550154612.db2.gz MIVJZGIXYLOSJA-HKUYNNGSSA-N 1 3 343.515 2.653 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2ccnc(N(C)C)c2)CC1 ZINC000754080918 575386879 /nfs/dbraw/zinc/38/68/79/575386879.db2.gz FOYLNZCKMKJQBE-UHFFFAOYSA-N 1 3 348.535 2.718 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2ccnc(N(C)C)c2)CC1 ZINC000754080918 575386882 /nfs/dbraw/zinc/38/68/82/575386882.db2.gz FOYLNZCKMKJQBE-UHFFFAOYSA-N 1 3 348.535 2.718 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405300 575432583 /nfs/dbraw/zinc/43/25/83/575432583.db2.gz ZDQHVJDJBWDFOD-CVEARBPZSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCCC[C@@H]1CCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000754405300 575432584 /nfs/dbraw/zinc/43/25/84/575432584.db2.gz ZDQHVJDJBWDFOD-CVEARBPZSA-N 1 3 325.497 2.754 20 0 EFADHO C[NH+]1CCC([C@@H]2CCN(Cn3nccc3-c3ccncc3)C2)CC1 ZINC000755780144 575632976 /nfs/dbraw/zinc/63/29/76/575632976.db2.gz WGQUUVKKUNHKAF-GOSISDBHSA-N 1 3 325.460 2.566 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N(C)C)CCC1 ZINC000763012465 576353583 /nfs/dbraw/zinc/35/35/83/576353583.db2.gz KLPPHYFLXBCHHI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N(C)C)CCC1 ZINC000763012465 576353584 /nfs/dbraw/zinc/35/35/84/576353584.db2.gz KLPPHYFLXBCHHI-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCCN2CCOC2=O)CC1 ZINC000763433266 576377440 /nfs/dbraw/zinc/37/74/40/576377440.db2.gz POLKPZMJWWGFKB-QGZVFWFLSA-N 1 3 337.508 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCCN2CCOC2=O)CC1 ZINC000763433266 576377441 /nfs/dbraw/zinc/37/74/41/576377441.db2.gz POLKPZMJWWGFKB-QGZVFWFLSA-N 1 3 337.508 2.805 20 0 EFADHO COc1ccc(OC)c([C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000764774420 576501987 /nfs/dbraw/zinc/50/19/87/576501987.db2.gz WAPZCIRNQRVXJE-QGZVFWFLSA-N 1 3 336.476 2.590 20 0 EFADHO CN(C)c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765036500 576539262 /nfs/dbraw/zinc/53/92/62/576539262.db2.gz CEVNDQWCEJJLJT-RXVVDRJESA-N 1 3 342.531 2.938 20 0 EFADHO CN(C)c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765036500 576539265 /nfs/dbraw/zinc/53/92/65/576539265.db2.gz CEVNDQWCEJJLJT-RXVVDRJESA-N 1 3 342.531 2.938 20 0 EFADHO CN(C)c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765036500 576539268 /nfs/dbraw/zinc/53/92/68/576539268.db2.gz CEVNDQWCEJJLJT-RXVVDRJESA-N 1 3 342.531 2.938 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C)C1 ZINC000765372533 577035967 /nfs/dbraw/zinc/03/59/67/577035967.db2.gz QWSLWFWZVGXSIF-LPHOPBHVSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000765438446 577042321 /nfs/dbraw/zinc/04/23/21/577042321.db2.gz IROGFQLOCWBNPA-HZPDHXFCSA-N 1 3 328.460 2.699 20 0 EFADHO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cccc(OCCN(C)C)c1 ZINC000765443159 577042691 /nfs/dbraw/zinc/04/26/91/577042691.db2.gz VKOKJZKFFRHYCZ-HOTGVXAUSA-N 1 3 328.460 2.699 20 0 EFADHO COc1ccc2c(c1)nccc2N1CCC(OCC[NH+](C)C)CC1 ZINC000765503695 577047893 /nfs/dbraw/zinc/04/78/93/577047893.db2.gz KUZMKIRMWSWPBT-UHFFFAOYSA-N 1 3 329.444 2.790 20 0 EFADHO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OCCN(C)C)c2)C1 ZINC000765631249 577061168 /nfs/dbraw/zinc/06/11/68/577061168.db2.gz QEJFYZDIANOLCW-WBVHZDCISA-N 1 3 349.475 2.508 20 0 EFADHO Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000765884336 577085209 /nfs/dbraw/zinc/08/52/09/577085209.db2.gz IGYHMMDHXZEPEY-IBGZPJMESA-N 1 3 329.488 2.515 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000766535959 577163686 /nfs/dbraw/zinc/16/36/86/577163686.db2.gz NUFCSGYJGPXWSS-QFBILLFUSA-N 1 3 330.476 2.880 20 0 EFADHO C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)N1CCCCC1 ZINC000766771320 577181687 /nfs/dbraw/zinc/18/16/87/577181687.db2.gz CEUFJGBSGQLELL-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C3CC(C(F)F)C3)cc2)CC1 ZINC000768679136 577294535 /nfs/dbraw/zinc/29/45/35/577294535.db2.gz SXPAYTPVKMLBGE-UHFFFAOYSA-N 1 3 337.458 2.957 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000769440991 577362676 /nfs/dbraw/zinc/36/26/76/577362676.db2.gz DMQNFWQIYUEVGW-DLBZAZTESA-N 1 3 337.508 2.707 20 0 EFADHO CC(C)(C)OC(=O)N1CCC(CC[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CC1 ZINC000769440991 577362679 /nfs/dbraw/zinc/36/26/79/577362679.db2.gz DMQNFWQIYUEVGW-DLBZAZTESA-N 1 3 337.508 2.707 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CN1CCCC1 ZINC000769684559 577378536 /nfs/dbraw/zinc/37/85/36/577378536.db2.gz NSKUKOADSNGHJZ-PMPSAXMXSA-N 1 3 327.513 3.000 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000772239688 581298274 /nfs/dbraw/zinc/29/82/74/581298274.db2.gz FCCDTXUMXNRWRN-QGZVFWFLSA-N 1 3 333.520 2.786 20 0 EFADHO CN(C)CC[C@H]([NH2+]Cc1cc(Br)nn1C)C(C)(C)C ZINC000785471859 1268811914 /nfs/dbraw/zinc/81/19/14/1268811914.db2.gz RDYUEPSKRSZCJV-LBPRGKRZSA-N 1 3 331.302 2.639 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530364 1249651704 /nfs/dbraw/zinc/65/17/04/1249651704.db2.gz QPMRUAGGZOOFCH-RXVVDRJESA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C)C1 ZINC001755286124 1249769743 /nfs/dbraw/zinc/76/97/43/1249769743.db2.gz QQGCYZYDPZWVAF-MRXNPFEDSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)C[NH2+]C(C)(C)C)N(C)C)cc1 ZINC001771714177 1250111961 /nfs/dbraw/zinc/11/19/61/1250111961.db2.gz SORDFIJYOLZGTN-SFHVURJKSA-N 1 3 333.520 2.992 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000700799271 1250184423 /nfs/dbraw/zinc/18/44/23/1250184423.db2.gz HVDPKLQCSNKNAU-BZUAXINKSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070454 1248254824 /nfs/dbraw/zinc/25/48/24/1248254824.db2.gz NXXBASQRMOISKV-LTIDMASMSA-N 1 3 337.508 2.991 20 0 EFADHO C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C(=O)OC(C)(C)C ZINC000250070454 1248254837 /nfs/dbraw/zinc/25/48/37/1248254837.db2.gz NXXBASQRMOISKV-LTIDMASMSA-N 1 3 337.508 2.991 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850423334 1250479915 /nfs/dbraw/zinc/47/99/15/1250479915.db2.gz UOGLJSFGDUOXSW-KRWDZBQOSA-N 1 3 331.504 2.690 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCCO2 ZINC000850468058 1250495316 /nfs/dbraw/zinc/49/53/16/1250495316.db2.gz YDQZNFIQXCPNDC-MRXNPFEDSA-N 1 3 331.504 2.688 20 0 EFADHO CO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000850513095 1250517245 /nfs/dbraw/zinc/51/72/45/1250517245.db2.gz DMPNLFKZBABZSI-RBUKOAKNSA-N 1 3 329.488 2.841 20 0 EFADHO CC(C)N1CCC([NH2+]Cc2ccc(N3CCCNC3=O)cc2)CC1 ZINC000850576209 1250546040 /nfs/dbraw/zinc/54/60/40/1250546040.db2.gz HSGSUFPYHMMYBN-UHFFFAOYSA-N 1 3 330.476 2.569 20 0 EFADHO C[C@H](CN(C)C(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000850579731 1250548809 /nfs/dbraw/zinc/54/88/09/1250548809.db2.gz YZYIIRNEEKGCGU-CQSZACIVSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000704449028 1250860936 /nfs/dbraw/zinc/86/09/36/1250860936.db2.gz DDFYGEXLZLVFOJ-QUCCMNQESA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000704449028 1250860943 /nfs/dbraw/zinc/86/09/43/1250860943.db2.gz DDFYGEXLZLVFOJ-QUCCMNQESA-N 1 3 331.504 2.778 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3NCCc4ccccc43)cc21 ZINC000851636260 1251155486 /nfs/dbraw/zinc/15/54/86/1251155486.db2.gz QNOFWDRWYVGBRY-GHTZIAJQSA-N 1 3 349.478 2.682 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716581188 1251361526 /nfs/dbraw/zinc/36/15/26/1251361526.db2.gz NNEKNJWCVOICRT-IJEWVQPXSA-N 1 3 325.497 2.752 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C[NH2+]C(C)(C)C ZINC000719969921 1251376945 /nfs/dbraw/zinc/37/69/45/1251376945.db2.gz YTVQRXLAIWSWEA-GOSISDBHSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@@]1(C[NH2+]Cc2cccc(Cl)c2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113131 1252263936 /nfs/dbraw/zinc/26/39/36/1252263936.db2.gz LDMWDKAAGBESLV-SFHVURJKSA-N 1 3 346.862 2.634 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2F)[C@H](C)C1 ZINC001106908347 1252315588 /nfs/dbraw/zinc/31/55/88/1252315588.db2.gz WTFDKAPJERZCST-BRWVUGGUSA-N 1 3 349.494 2.913 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732710 1252332038 /nfs/dbraw/zinc/33/20/38/1252332038.db2.gz ZCDGPKGGYZQONU-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC(C)(C)CN2Cc2ccccc2)C1 ZINC001089732710 1252332042 /nfs/dbraw/zinc/33/20/42/1252332042.db2.gz ZCDGPKGGYZQONU-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001089734326 1252335755 /nfs/dbraw/zinc/33/57/55/1252335755.db2.gz OUADNTUDNCUKGP-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001089734326 1252335765 /nfs/dbraw/zinc/33/57/65/1252335765.db2.gz OUADNTUDNCUKGP-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC001106910841 1252441630 /nfs/dbraw/zinc/44/16/30/1252441630.db2.gz RBLBRBVBUNBNFA-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC001106910893 1252450230 /nfs/dbraw/zinc/45/02/30/1252450230.db2.gz ULGZPBKPPCGONN-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807442 1252765737 /nfs/dbraw/zinc/76/57/37/1252765737.db2.gz ZKYINXCQCVOEMK-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807442 1252765744 /nfs/dbraw/zinc/76/57/44/1252765744.db2.gz ZKYINXCQCVOEMK-RDGPPVDQSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484743436 1252852763 /nfs/dbraw/zinc/85/27/63/1252852763.db2.gz AIXOYUWYKYULRZ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001484743436 1252852773 /nfs/dbraw/zinc/85/27/73/1252852773.db2.gz AIXOYUWYKYULRZ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001484769650 1252934826 /nfs/dbraw/zinc/93/48/26/1252934826.db2.gz YVWRLHSPXIPYHN-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001484769650 1252934834 /nfs/dbraw/zinc/93/48/34/1252934834.db2.gz YVWRLHSPXIPYHN-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001484769648 1252935699 /nfs/dbraw/zinc/93/56/99/1252935699.db2.gz YVWRLHSPXIPYHN-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001484769648 1252935709 /nfs/dbraw/zinc/93/57/09/1252935709.db2.gz YVWRLHSPXIPYHN-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(F)F)nc1)C2 ZINC000922388500 1265887280 /nfs/dbraw/zinc/88/72/80/1265887280.db2.gz FHBHSHXOUFGWLY-CBZIJGRNSA-N 1 3 339.430 2.589 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc(C(F)F)nc1)C2 ZINC000922388500 1265887295 /nfs/dbraw/zinc/88/72/95/1265887295.db2.gz FHBHSHXOUFGWLY-CBZIJGRNSA-N 1 3 339.430 2.589 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)CCC1 ZINC000995886977 1254834396 /nfs/dbraw/zinc/83/43/96/1254834396.db2.gz MNHFXFIDDZQNRR-QGZVFWFLSA-N 1 3 347.478 2.637 20 0 EFADHO CN(CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1)C1CCC1 ZINC000995918608 1254840576 /nfs/dbraw/zinc/84/05/76/1254840576.db2.gz OEIPPNVACSEYTL-LJQANCHMSA-N 1 3 343.515 2.540 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)C1CCC1 ZINC000995920241 1254841963 /nfs/dbraw/zinc/84/19/63/1254841963.db2.gz UHCYEJHJQSMNIN-SFHVURJKSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)cs1 ZINC000995918521 1254842059 /nfs/dbraw/zinc/84/20/59/1254842059.db2.gz NYGMQYRQCMZVGK-KRWDZBQOSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1)N(C)C ZINC000995922531 1254843303 /nfs/dbraw/zinc/84/33/03/1254843303.db2.gz FBPFVNOQVBLRKN-MOPGFXCFSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H](NCc2ccccc2F)C(C)(C)C1)[NH+](C)C ZINC000995929342 1254848018 /nfs/dbraw/zinc/84/80/18/1254848018.db2.gz VRFXOAMORCKARP-ROUUACIJSA-N 1 3 349.494 2.739 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CC1 ZINC000995907908 1254852365 /nfs/dbraw/zinc/85/23/65/1254852365.db2.gz XMHOIFWUAGPCPR-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2C)C(C)(C)C1)N(C)C ZINC000995946075 1254860759 /nfs/dbraw/zinc/86/07/59/1254860759.db2.gz FZADPMFFPBYJKA-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)CC2(C)C)c1 ZINC000996245358 1255124335 /nfs/dbraw/zinc/12/43/35/1255124335.db2.gz IJLIGULJRKJHPM-RTBURBONSA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1)N(C)C ZINC000996247248 1255126304 /nfs/dbraw/zinc/12/63/04/1255126304.db2.gz MXDHRNHINGAOFT-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC000996300107 1255184530 /nfs/dbraw/zinc/18/45/30/1255184530.db2.gz KABRZPIBLDGCST-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC000996300105 1255184721 /nfs/dbraw/zinc/18/47/21/1255184721.db2.gz KABRZPIBLDGCST-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)CN3CC[C@H](C)C3)CC2(C)C)cc1 ZINC000996300835 1255184800 /nfs/dbraw/zinc/18/48/00/1255184800.db2.gz OTJUHCNRMHYSDN-HKUYNNGSSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000996300441 1255184879 /nfs/dbraw/zinc/18/48/79/1255184879.db2.gz MFNOXZVJSVSLBI-WMZOPIPTSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)C1 ZINC000996300440 1255185441 /nfs/dbraw/zinc/18/54/41/1255185441.db2.gz MFNOXZVJSVSLBI-SJLPKXTDSA-N 1 3 333.520 2.655 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccccc2F)C(C)(C)C1)N(C)C ZINC000996313924 1255196594 /nfs/dbraw/zinc/19/65/94/1255196594.db2.gz GOCVDFHXTIYICD-ZWKOTPCHSA-N 1 3 349.494 2.535 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2C)C(C)(C)C1)N(C)C ZINC000996313962 1255197026 /nfs/dbraw/zinc/19/70/26/1255197026.db2.gz GZSLOVKTBKBSTK-ROUUACIJSA-N 1 3 349.494 2.801 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)CC1(C)C ZINC000996314971 1255197072 /nfs/dbraw/zinc/19/70/72/1255197072.db2.gz KUVLFLAPONFOFK-RBUKOAKNSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)C(C)(C)C1)N(C)C ZINC000996315673 1255197472 /nfs/dbraw/zinc/19/74/72/1255197472.db2.gz RZPZAMVPBOYERL-ZWKOTPCHSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C(C)(C)C1)N(C)C ZINC000996316500 1255197634 /nfs/dbraw/zinc/19/76/34/1255197634.db2.gz ZVNGSZORCXUMMB-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1)N(C)C ZINC000996315042 1255197654 /nfs/dbraw/zinc/19/76/54/1255197654.db2.gz LQXQLFKAZGILHP-ZWKOTPCHSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C(C)(C)C1)N(C)C ZINC000996315649 1255197874 /nfs/dbraw/zinc/19/78/74/1255197874.db2.gz RMGRXVUWWCVIAF-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CC1CCCCCC1 ZINC000996354944 1255242350 /nfs/dbraw/zinc/24/23/50/1255242350.db2.gz JXXCAZDCCIVWHH-KRWDZBQOSA-N 1 3 332.492 2.749 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996355861 1255243206 /nfs/dbraw/zinc/24/32/06/1255243206.db2.gz OEDQOLDSINZZOF-SFHVURJKSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357573 1255244670 /nfs/dbraw/zinc/24/46/70/1255244670.db2.gz YLHGKILJTMWMEL-GOSISDBHSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357367 1255245356 /nfs/dbraw/zinc/24/53/56/1255245356.db2.gz XJMQPZSJKKXUES-MAUKXSAKSA-N 1 3 340.471 2.848 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCCC1 ZINC000996380778 1255262289 /nfs/dbraw/zinc/26/22/89/1255262289.db2.gz SBHZWMZUUQQLPO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCC(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)CC1 ZINC000996667230 1255687445 /nfs/dbraw/zinc/68/74/45/1255687445.db2.gz VCUWDJCSVGIDQU-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccccc1F ZINC000996664527 1255698973 /nfs/dbraw/zinc/69/89/73/1255698973.db2.gz JXPYGVBOJBHINA-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1)c1ccc(F)cc1 ZINC000996674968 1255717662 /nfs/dbraw/zinc/71/76/62/1255717662.db2.gz DQLNEMVMPIYXBJ-KUHUBIRLSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccc(F)cc1 ZINC000996674963 1255717959 /nfs/dbraw/zinc/71/79/59/1255717959.db2.gz DQLNEMVMPIYXBJ-IFXJQAMLSA-N 1 3 347.478 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001203455650 1255722140 /nfs/dbraw/zinc/72/21/40/1255722140.db2.gz IFPRDRYFILMIGH-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC000996675317 1255723135 /nfs/dbraw/zinc/72/31/35/1255723135.db2.gz FTXZFQNODDTEAH-LJQANCHMSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cccc(F)c1 ZINC000996676526 1255725483 /nfs/dbraw/zinc/72/54/83/1255725483.db2.gz HQWNCZMRGWHQOC-IFXJQAMLSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC000996677433 1255726703 /nfs/dbraw/zinc/72/67/03/1255726703.db2.gz JNYMXTOMVJAUHA-OXJNMPFZSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000996678259 1255727597 /nfs/dbraw/zinc/72/75/97/1255727597.db2.gz LXBUVSYBMLADMC-JXFKEZNVSA-N 1 3 343.515 2.977 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)C1CC1 ZINC000996678252 1255727628 /nfs/dbraw/zinc/72/76/28/1255727628.db2.gz LWLMXKUTZLPTKO-IBGZPJMESA-N 1 3 347.478 2.577 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000996678414 1255728307 /nfs/dbraw/zinc/72/83/07/1255728307.db2.gz NHPZAPDUKHZGDL-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996689173 1255750233 /nfs/dbraw/zinc/75/02/33/1255750233.db2.gz AHIWGQJPPVWJTC-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]CCc2ccccc2F)CC1)N(C)C ZINC000996692526 1255754638 /nfs/dbraw/zinc/75/46/38/1255754638.db2.gz NHHOWIJXMZIBCZ-IBGZPJMESA-N 1 3 349.494 2.535 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](CC2CCC2)CC3)CCC1 ZINC001107436684 1255814423 /nfs/dbraw/zinc/81/44/23/1255814423.db2.gz KLIMLNPULQWNQU-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC2CCC2)CC3)CCC1 ZINC001107436684 1255814436 /nfs/dbraw/zinc/81/44/36/1255814436.db2.gz KLIMLNPULQWNQU-IEBWSBKVSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436671 1255816254 /nfs/dbraw/zinc/81/62/54/1255816254.db2.gz JYHDEGVLBVPMDQ-JFIYKMOQSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)C3(N(C)C)CCC3)CCC[C@@H]12 ZINC001107436671 1255816267 /nfs/dbraw/zinc/81/62/67/1255816267.db2.gz JYHDEGVLBVPMDQ-JFIYKMOQSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444336 1255833644 /nfs/dbraw/zinc/83/36/44/1255833644.db2.gz BFZSYYYJQDMVTL-WSTZPKSXSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)N(C)C)CCC[C@@H]12 ZINC001107444336 1255833655 /nfs/dbraw/zinc/83/36/55/1255833655.db2.gz BFZSYYYJQDMVTL-WSTZPKSXSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2c(C)cccc2C)CC1)N(C)C ZINC000996717555 1255851557 /nfs/dbraw/zinc/85/15/57/1255851557.db2.gz MEJBJVKYFHEVNW-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2)N(C)C ZINC001107451496 1255857807 /nfs/dbraw/zinc/85/78/07/1255857807.db2.gz VVGSGPRZWQLIEW-ZHALLVOQSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2)N(C)C ZINC001107451496 1255857813 /nfs/dbraw/zinc/85/78/13/1255857813.db2.gz VVGSGPRZWQLIEW-ZHALLVOQSA-N 1 3 349.544 2.949 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001107454781 1255866545 /nfs/dbraw/zinc/86/65/45/1255866545.db2.gz NLAHPRZLCTXDGP-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107454781 1255866550 /nfs/dbraw/zinc/86/65/50/1255866550.db2.gz NLAHPRZLCTXDGP-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673582 1266003506 /nfs/dbraw/zinc/00/35/06/1266003506.db2.gz CJRKAHKLBUWHAJ-DLBZAZTESA-N 1 3 341.515 2.922 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001107582807 1256181934 /nfs/dbraw/zinc/18/19/34/1256181934.db2.gz XJSRJWFCOWONNP-UYAOXDASSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001107582807 1256181939 /nfs/dbraw/zinc/18/19/39/1256181939.db2.gz XJSRJWFCOWONNP-UYAOXDASSA-N 1 3 335.536 2.879 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107613820 1256298303 /nfs/dbraw/zinc/29/83/03/1256298303.db2.gz AALQVVMVLLLFHB-YIINBFHCSA-N 1 3 341.927 2.832 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCC(C)C)CC2 ZINC001107621405 1256319741 /nfs/dbraw/zinc/31/97/41/1256319741.db2.gz ODAXIAYYJVEHHS-IEBWSBKVSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001107621405 1256319747 /nfs/dbraw/zinc/31/97/47/1256319747.db2.gz ODAXIAYYJVEHHS-IEBWSBKVSA-N 1 3 332.492 2.668 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001107646061 1256351535 /nfs/dbraw/zinc/35/15/35/1256351535.db2.gz ACPWKTVGSKJCJH-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2 ZINC001107646061 1256351538 /nfs/dbraw/zinc/35/15/38/1256351538.db2.gz ACPWKTVGSKJCJH-TZIWHRDSSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2 ZINC001107646732 1256371586 /nfs/dbraw/zinc/37/15/86/1256371586.db2.gz SVAIDTOGDOCCHO-IEBWSBKVSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2 ZINC001107646732 1256371590 /nfs/dbraw/zinc/37/15/90/1256371590.db2.gz SVAIDTOGDOCCHO-IEBWSBKVSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001203456070 1256380269 /nfs/dbraw/zinc/38/02/69/1256380269.db2.gz PLCTVOLEVOTSFI-IBGZPJMESA-N 1 3 329.488 2.596 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000996966898 1256583353 /nfs/dbraw/zinc/58/33/53/1256583353.db2.gz XCGLBJWXCNYHPZ-HXUWFJFHSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000996963685 1256596224 /nfs/dbraw/zinc/59/62/24/1256596224.db2.gz HWHCXJVTPJRVPB-WOJBJXKFSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000996996136 1256636678 /nfs/dbraw/zinc/63/66/78/1256636678.db2.gz VASWBZJTPUWICX-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000996995872 1256646407 /nfs/dbraw/zinc/64/64/07/1256646407.db2.gz SNWPLQSIUFYWDU-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1cccc(F)c1 ZINC000996998506 1256652138 /nfs/dbraw/zinc/65/21/38/1256652138.db2.gz KFNSGRPEKBFAEZ-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3cccc(F)c3)CC2)C1 ZINC000996998374 1256652401 /nfs/dbraw/zinc/65/24/01/1256652401.db2.gz ISHQXIQWNSQBBF-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)C1 ZINC000996998938 1256653297 /nfs/dbraw/zinc/65/32/97/1256653297.db2.gz KXLRCRZROAONDZ-KURKYZTESA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccccc1 ZINC000996999387 1256654331 /nfs/dbraw/zinc/65/43/31/1256654331.db2.gz NZOZCSPYJLJLLV-SJORKVTESA-N 1 3 329.488 2.813 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC000997000445 1256655577 /nfs/dbraw/zinc/65/55/77/1256655577.db2.gz QCRMAYGPXGXCRW-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC000997001254 1256657852 /nfs/dbraw/zinc/65/78/52/1256657852.db2.gz TWITZXYZJTVCFJ-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000996996262 1256660934 /nfs/dbraw/zinc/66/09/34/1256660934.db2.gz XGJNBYVODITPBE-SFHVURJKSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC000996996260 1256661080 /nfs/dbraw/zinc/66/10/80/1256661080.db2.gz XGJNBYVODITPBE-GOSISDBHSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000996996285 1256661104 /nfs/dbraw/zinc/66/11/04/1256661104.db2.gz XJWVBQLPTQVRHI-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997005617 1256667897 /nfs/dbraw/zinc/66/78/97/1256667897.db2.gz IWVOINFVWLAOEC-FUHWJXTLSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)C1 ZINC000997005785 1256668205 /nfs/dbraw/zinc/66/82/05/1256668205.db2.gz KHGZRDKZSPLVPM-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3Cl)CC2)C1 ZINC000997006352 1256668417 /nfs/dbraw/zinc/66/84/17/1256668417.db2.gz LDLXAHGQTGBCOT-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000997007308 1256671481 /nfs/dbraw/zinc/67/14/81/1256671481.db2.gz PVWLSQDBQICIIL-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1F ZINC000997007293 1256671526 /nfs/dbraw/zinc/67/15/26/1256671526.db2.gz PNTGBPLMUREUDB-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997007324 1256671542 /nfs/dbraw/zinc/67/15/42/1256671542.db2.gz QDYOCHRUVHKPNO-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC000997015055 1256689027 /nfs/dbraw/zinc/68/90/27/1256689027.db2.gz MSWBZIWOCRZQHW-OALUTQOASA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997039348 1256725292 /nfs/dbraw/zinc/72/52/92/1256725292.db2.gz BYVLSVVHZILWRO-MRXNPFEDSA-N 1 3 340.471 2.911 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccsc3)CC2)CC1 ZINC000997114376 1256946489 /nfs/dbraw/zinc/94/64/89/1256946489.db2.gz AMXQRGNWUPTOPK-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001032404376 1257116437 /nfs/dbraw/zinc/11/64/37/1257116437.db2.gz FPECXTQFYNQSLS-FOIPXRHGSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405696 1257125493 /nfs/dbraw/zinc/12/54/93/1257125493.db2.gz PCSUYYOOQLVYPU-NEWSRXKRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405696 1257125495 /nfs/dbraw/zinc/12/54/95/1257125495.db2.gz PCSUYYOOQLVYPU-NEWSRXKRSA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@@H+]1C ZINC001032412421 1257198745 /nfs/dbraw/zinc/19/87/45/1257198745.db2.gz WIQZMQSBNPDSDJ-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)CC[N@H+]1C ZINC001032412421 1257198748 /nfs/dbraw/zinc/19/87/48/1257198748.db2.gz WIQZMQSBNPDSDJ-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000997306722 1257386522 /nfs/dbraw/zinc/38/65/22/1257386522.db2.gz JMTROQZOHZOLGG-UHFFFAOYSA-N 1 3 341.908 2.578 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC([NH2+]CCC3CC3)CC2)c1 ZINC000997356727 1257431038 /nfs/dbraw/zinc/43/10/38/1257431038.db2.gz MDFQVFYUNBVRSM-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000997365439 1257454144 /nfs/dbraw/zinc/45/41/44/1257454144.db2.gz VHUVOXSMJZJHOU-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032456921 1257522801 /nfs/dbraw/zinc/52/28/01/1257522801.db2.gz YMEGRAMMLSZCKV-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032456921 1257522805 /nfs/dbraw/zinc/52/28/05/1257522805.db2.gz YMEGRAMMLSZCKV-FHWLQOOXSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)CC1)N(C)C ZINC001032460216 1257550774 /nfs/dbraw/zinc/55/07/74/1257550774.db2.gz GJNVYPIWECBILQ-LKIAZTKLSA-N 1 3 335.536 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)CC1)N(C)C ZINC001032460216 1257550776 /nfs/dbraw/zinc/55/07/76/1257550776.db2.gz GJNVYPIWECBILQ-LKIAZTKLSA-N 1 3 335.536 2.684 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CC2CC2)CC1 ZINC000997432685 1257578282 /nfs/dbraw/zinc/57/82/82/1257578282.db2.gz ZAHJFQJFNXUDJC-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)C1CC[NH+](CC2CC2)CC1 ZINC000997434367 1257580061 /nfs/dbraw/zinc/58/00/61/1257580061.db2.gz MIFPVSVZBOGAQR-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997430310 1257595077 /nfs/dbraw/zinc/59/50/77/1257595077.db2.gz CBKRFINBUGVLRQ-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO O=C(N1C[C@@H]2C[C@H]1CN2CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001032472578 1257632573 /nfs/dbraw/zinc/63/25/73/1257632573.db2.gz YNMAWNLUUDJVQQ-OALUTQOASA-N 1 3 345.531 2.728 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997586155 1258062959 /nfs/dbraw/zinc/06/29/59/1258062959.db2.gz DNKMUZJHSXPGDD-QHZJYWCMSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997586155 1258062965 /nfs/dbraw/zinc/06/29/65/1258062965.db2.gz DNKMUZJHSXPGDD-QHZJYWCMSA-N 1 3 341.927 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1 ZINC000997586652 1258064194 /nfs/dbraw/zinc/06/41/94/1258064194.db2.gz FVOUAARXNGHREY-LPHOPBHVSA-N 1 3 335.536 2.876 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000997606388 1258103075 /nfs/dbraw/zinc/10/30/75/1258103075.db2.gz KJTGPXRVRVEXTM-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC000997607726 1258104938 /nfs/dbraw/zinc/10/49/38/1258104938.db2.gz PXSXEAQHRONYQU-LJQANCHMSA-N 1 3 347.478 2.579 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000997606965 1258105728 /nfs/dbraw/zinc/10/57/28/1258105728.db2.gz NOHCNNCBWWXHET-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1cccc(F)c1 ZINC000997611450 1258113204 /nfs/dbraw/zinc/11/32/04/1258113204.db2.gz FRZBJRDRTJZXCQ-BEFAXECRSA-N 1 3 347.478 2.809 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC000997613576 1258115616 /nfs/dbraw/zinc/11/56/16/1258115616.db2.gz OLMFTBMQXNSLNA-LJQANCHMSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000997614435 1258118481 /nfs/dbraw/zinc/11/84/81/1258118481.db2.gz QSUVSYJDGRNFDI-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032540137 1258277101 /nfs/dbraw/zinc/27/71/01/1258277101.db2.gz RZNSWLLUAXUNFQ-BZSNNMDCSA-N 1 3 333.520 2.582 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCc1ccccc1 ZINC001168595681 1258379171 /nfs/dbraw/zinc/37/91/71/1258379171.db2.gz OATIQPLCNWMSMM-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cnc(C)s1 ZINC001168596125 1258382261 /nfs/dbraw/zinc/38/22/61/1258382261.db2.gz SRXPQQBNMBHERE-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)[NH+]1CCCC1 ZINC001032557217 1258474633 /nfs/dbraw/zinc/47/46/33/1258474633.db2.gz BUEHQOVIKABCCO-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001004200511 1266206373 /nfs/dbraw/zinc/20/63/73/1266206373.db2.gz BQUDGJQDXVFOAU-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@@H+]1C ZINC001032587074 1258859808 /nfs/dbraw/zinc/85/98/08/1258859808.db2.gz KNQNORMQPIKXQL-WNHJNPCNSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC[N@H+]1C ZINC001032587074 1258859818 /nfs/dbraw/zinc/85/98/18/1258859818.db2.gz KNQNORMQPIKXQL-WNHJNPCNSA-N 1 3 333.520 2.582 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000998013186 1258955316 /nfs/dbraw/zinc/95/53/16/1258955316.db2.gz PZMNKGWOLGBXHO-BNFMKIAJSA-N 1 3 341.927 2.782 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC000998013186 1258955318 /nfs/dbraw/zinc/95/53/18/1258955318.db2.gz PZMNKGWOLGBXHO-BNFMKIAJSA-N 1 3 341.927 2.782 20 0 EFADHO COCCC1([NH3+])CCN([C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168612881 1258960442 /nfs/dbraw/zinc/96/04/42/1258960442.db2.gz CZBGBKJUJIYMGU-IEBWSBKVSA-N 1 3 348.487 2.745 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000998041027 1259003358 /nfs/dbraw/zinc/00/33/58/1259003358.db2.gz ZXAHMYPFWIVCDE-HXUWFJFHSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001004205531 1266232534 /nfs/dbraw/zinc/23/25/34/1266232534.db2.gz DOSSQUVUQXAAIK-IYBDPMFKSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC000998082982 1259086219 /nfs/dbraw/zinc/08/62/19/1259086219.db2.gz SDZSYCAOKORQHM-SFHVURJKSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1 ZINC000998083874 1259087651 /nfs/dbraw/zinc/08/76/51/1259087651.db2.gz YFMLDSMRGLJQLU-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001004207115 1266234689 /nfs/dbraw/zinc/23/46/89/1266234689.db2.gz OOBPSEREPKEOSA-GASCZTMLSA-N 1 3 335.517 2.702 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC001004207115 1266234697 /nfs/dbraw/zinc/23/46/97/1266234697.db2.gz OOBPSEREPKEOSA-GASCZTMLSA-N 1 3 335.517 2.702 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998113052 1259123874 /nfs/dbraw/zinc/12/38/74/1259123874.db2.gz XOQQVASWVHBENL-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](F)CN1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998113054 1259124454 /nfs/dbraw/zinc/12/44/54/1259124454.db2.gz XOQQVASWVHBENL-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1cccc(F)c1 ZINC000998120121 1259135168 /nfs/dbraw/zinc/13/51/68/1259135168.db2.gz QBNLCJXUXQVUCP-CQSZACIVSA-N 1 3 344.434 2.681 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(F)cc1 ZINC000998120094 1259135232 /nfs/dbraw/zinc/13/52/32/1259135232.db2.gz PLYNTBOPLKXKLO-AWEZNQCLSA-N 1 3 344.434 2.681 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCCC1)N(C)C ZINC001115734275 1259136444 /nfs/dbraw/zinc/13/64/44/1259136444.db2.gz GCIMEVPETHIXFW-ZDUSSCGKSA-N 1 3 337.430 2.688 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177328 1259197685 /nfs/dbraw/zinc/19/76/85/1259197685.db2.gz STAUNGWWHZGHBM-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000998269958 1259350830 /nfs/dbraw/zinc/35/08/30/1259350830.db2.gz SFHFMEUJKMHWKY-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000998290714 1259389992 /nfs/dbraw/zinc/38/99/92/1259389992.db2.gz WYPKAVCNSIEOJB-SFHVURJKSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629632 1259441210 /nfs/dbraw/zinc/44/12/10/1259441210.db2.gz GKVNOJUEKLMBBM-PMACEKPBSA-N 1 3 343.515 2.736 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998551864 1259673895 /nfs/dbraw/zinc/67/38/95/1259673895.db2.gz RMEZQJBAZXOTLG-JTTJXQCZSA-N 1 3 349.906 2.822 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000998548942 1259674955 /nfs/dbraw/zinc/67/49/55/1259674955.db2.gz JCADTGWKXFNDCA-QLOJAFMTSA-N 1 3 341.499 2.737 20 0 EFADHO CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000998548943 1259675611 /nfs/dbraw/zinc/67/56/11/1259675611.db2.gz JCBMUEOMMWLMOG-MHJFOBGBSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001036556041 1259676265 /nfs/dbraw/zinc/67/62/65/1259676265.db2.gz FAJABBQCOBGRQA-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001036556039 1259676533 /nfs/dbraw/zinc/67/65/33/1259676533.db2.gz FAJABBQCOBGRQA-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN(C(=O)CN(C)C2CCC2)[C@H]1C[NH2+]Cc1ccccc1 ZINC001036556697 1259677442 /nfs/dbraw/zinc/67/74/42/1259677442.db2.gz PQJNGDRLVXOQMS-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001036579460 1259732005 /nfs/dbraw/zinc/73/20/05/1259732005.db2.gz MJCCQBBXWBGVKD-MAUKXSAKSA-N 1 3 330.476 2.669 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001036580271 1259733173 /nfs/dbraw/zinc/73/31/73/1259733173.db2.gz ZIFCSESKBGJUAR-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143609 1259812664 /nfs/dbraw/zinc/81/26/64/1259812664.db2.gz IYZVFQKMMBVHGH-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143609 1259812674 /nfs/dbraw/zinc/81/26/74/1259812674.db2.gz IYZVFQKMMBVHGH-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998725689 1259878579 /nfs/dbraw/zinc/87/85/79/1259878579.db2.gz XADUPFLEWCIZNJ-AEFFLSMTSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946517885 1260248448 /nfs/dbraw/zinc/24/84/48/1260248448.db2.gz KWMNQSBRRCPNKB-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]2CC1 ZINC000946517885 1260248457 /nfs/dbraw/zinc/24/84/57/1260248457.db2.gz KWMNQSBRRCPNKB-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000999132542 1260260848 /nfs/dbraw/zinc/26/08/48/1260260848.db2.gz GLFFXBIWFFNSDD-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC1 ZINC001032665546 1260378116 /nfs/dbraw/zinc/37/81/16/1260378116.db2.gz BBZCZRGXNXEFIP-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)C1CC[NH+](C)CC1)C1CC(NCc2ccccc2Cl)C1 ZINC000999342657 1260546884 /nfs/dbraw/zinc/54/68/84/1260546884.db2.gz MKDWWKMWSTWSJV-UHFFFAOYSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000999347361 1260550853 /nfs/dbraw/zinc/55/08/53/1260550853.db2.gz JWCCMCGFSANWHK-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999349384 1260551976 /nfs/dbraw/zinc/55/19/76/1260551976.db2.gz SNUGXZQSLNGWBP-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999349381 1260552788 /nfs/dbraw/zinc/55/27/88/1260552788.db2.gz SNUGXZQSLNGWBP-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999349833 1260553790 /nfs/dbraw/zinc/55/37/90/1260553790.db2.gz VJKDSDYWXKYNNA-IBGZPJMESA-N 1 3 343.515 2.602 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000999373187 1260557144 /nfs/dbraw/zinc/55/71/44/1260557144.db2.gz GJYLPIWOFXSKHY-INIZCTEOSA-N 1 3 335.517 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)C1CCC1 ZINC000999365184 1260567489 /nfs/dbraw/zinc/56/74/89/1260567489.db2.gz PXRPOKXCWAVIFH-PXNSSMCTSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC000999365672 1260568052 /nfs/dbraw/zinc/56/80/52/1260568052.db2.gz RBPDACPHSOLHJM-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999365694 1260568077 /nfs/dbraw/zinc/56/80/77/1260568077.db2.gz RMTYNBOKCFTAMO-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000999366070 1260568597 /nfs/dbraw/zinc/56/85/97/1260568597.db2.gz UHWBTHOYSMEDBV-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999366677 1260569771 /nfs/dbraw/zinc/56/97/71/1260569771.db2.gz YYHNDWGYSPYBAW-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CCCCCC2)C1)C1CC1 ZINC000999371050 1260571820 /nfs/dbraw/zinc/57/18/20/1260571820.db2.gz MRXOSUBCRJLXLZ-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999400889 1260579856 /nfs/dbraw/zinc/57/98/56/1260579856.db2.gz MLJVDIUPCAHWNI-QZTJIDSGSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999400889 1260579860 /nfs/dbraw/zinc/57/98/60/1260579860.db2.gz MLJVDIUPCAHWNI-QZTJIDSGSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999418301 1260592337 /nfs/dbraw/zinc/59/23/37/1260592337.db2.gz BNVASVVPVYRTKJ-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999405753 1260599033 /nfs/dbraw/zinc/59/90/33/1260599033.db2.gz HETQRIMTOFSCOD-LMDPOFIKSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000999407298 1260600062 /nfs/dbraw/zinc/60/00/62/1260600062.db2.gz UBLVSJAZXLNZQA-KKXNLOMOSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000999408576 1260602530 /nfs/dbraw/zinc/60/25/30/1260602530.db2.gz LRFHDGSAYCLTPS-IPJUCJBFSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CCC2CCCC2)C1 ZINC000999408582 1260603039 /nfs/dbraw/zinc/60/30/39/1260603039.db2.gz LTGQPLQBPKKYQQ-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC000999409219 1260603670 /nfs/dbraw/zinc/60/36/70/1260603670.db2.gz PPEZAWXCLVATKN-FTXHTYHOSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC000999409617 1260604555 /nfs/dbraw/zinc/60/45/55/1260604555.db2.gz RDYCTFAJHFMRTG-IVMQYODDSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000999489237 1260712048 /nfs/dbraw/zinc/71/20/48/1260712048.db2.gz JDRBLISLYFPSRA-IAGOWNOFSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000999489236 1260712090 /nfs/dbraw/zinc/71/20/90/1260712090.db2.gz JDRBLISLYFPSRA-DLBZAZTESA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC000999488923 1260712227 /nfs/dbraw/zinc/71/22/27/1260712227.db2.gz HQAOEKHGBMDMPC-DLBZAZTESA-N 1 3 337.533 2.786 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000999489254 1260712243 /nfs/dbraw/zinc/71/22/43/1260712243.db2.gz JMGCGPFPOLEHJD-VQTJNVASSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000999489627 1260712265 /nfs/dbraw/zinc/71/22/65/1260712265.db2.gz KZSRFHOARCBHAF-SJLPKXTDSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC000999490778 1260712826 /nfs/dbraw/zinc/71/28/26/1260712826.db2.gz SNTBTUJEGZVECD-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO O=C(N1CCC[C@@H](NCc2ccccc2F)C1)C12CCC[NH+]1CCC2 ZINC000999599250 1260762846 /nfs/dbraw/zinc/76/28/46/1260762846.db2.gz XYDATCPEDXQBMA-QGZVFWFLSA-N 1 3 345.462 2.535 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000999687649 1260835188 /nfs/dbraw/zinc/83/51/88/1260835188.db2.gz DWRIXJAFESUPJA-ZLPCBKJTSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CNC2CC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000999687649 1260835192 /nfs/dbraw/zinc/83/51/92/1260835192.db2.gz DWRIXJAFESUPJA-ZLPCBKJTSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)c(Cl)c1 ZINC000999833687 1260946308 /nfs/dbraw/zinc/94/63/08/1260946308.db2.gz PDSRJDPZQUPNCN-UHFFFAOYSA-N 1 3 349.906 2.823 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2C)C1 ZINC000999876216 1260965027 /nfs/dbraw/zinc/96/50/27/1260965027.db2.gz IGSKZJCGUNDQJY-SOAGJPPSSA-N 1 3 343.515 2.948 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000999876561 1260965447 /nfs/dbraw/zinc/96/54/47/1260965447.db2.gz OCWFHGGHYRXFBP-OFLPRAFFSA-N 1 3 335.517 2.702 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1 ZINC000999876840 1260965518 /nfs/dbraw/zinc/96/55/18/1260965518.db2.gz ULTGUDXZHJQEBL-ACBHZAAOSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033071160 1266378950 /nfs/dbraw/zinc/37/89/50/1266378950.db2.gz WGTWKLLHLCLBBL-WMZOPIPTSA-N 1 3 349.544 2.696 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033071160 1266378958 /nfs/dbraw/zinc/37/89/58/1266378958.db2.gz WGTWKLLHLCLBBL-WMZOPIPTSA-N 1 3 349.544 2.696 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001000188330 1261187274 /nfs/dbraw/zinc/18/72/74/1261187274.db2.gz AMQWHQBVCPWEBJ-UYAOXDASSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001000193015 1261195927 /nfs/dbraw/zinc/19/59/27/1261195927.db2.gz OSLANQHKVNNYLV-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC001000193015 1261195932 /nfs/dbraw/zinc/19/59/32/1261195932.db2.gz OSLANQHKVNNYLV-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]([NH2+]CC3=CCCCC3)C2)C1 ZINC001000201130 1261204895 /nfs/dbraw/zinc/20/48/95/1261204895.db2.gz RLINXDPMKQQVKI-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001409945588 1261280349 /nfs/dbraw/zinc/28/03/49/1261280349.db2.gz ZYFXGTCGNXDHMU-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2O1 ZINC000921753730 1261364904 /nfs/dbraw/zinc/36/49/04/1261364904.db2.gz FHARGAGZVZNIBS-NVXWUHKLSA-N 1 3 330.472 2.601 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000923298071 1261421921 /nfs/dbraw/zinc/42/19/21/1261421921.db2.gz LGHBOAVVGHFZEC-RBUKOAKNSA-N 1 3 327.472 2.591 20 0 EFADHO CCCN(C[C@@H](O)COc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000923329274 1261465894 /nfs/dbraw/zinc/46/58/94/1261465894.db2.gz ZYVYATYLQQCQFI-MRXNPFEDSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCNCC1 ZINC000923329274 1261465895 /nfs/dbraw/zinc/46/58/95/1261465895.db2.gz ZYVYATYLQQCQFI-MRXNPFEDSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C1CCNCC1 ZINC000923329274 1261465898 /nfs/dbraw/zinc/46/58/98/1261465898.db2.gz ZYVYATYLQQCQFI-MRXNPFEDSA-N 1 3 326.868 2.544 20 0 EFADHO CCc1nc(CN2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cs1 ZINC000923323003 1261474550 /nfs/dbraw/zinc/47/45/50/1261474550.db2.gz UVCCFTMDZIEECZ-ALOPSCKCSA-N 1 3 348.560 2.744 20 0 EFADHO CCCN(C[C@@H](O)COc1cc(C)ccc1Cl)C1CC[NH2+]CC1 ZINC000923327490 1261482212 /nfs/dbraw/zinc/48/22/12/1261482212.db2.gz QMKQOLLWYOIEKK-MRXNPFEDSA-N 1 3 340.895 2.852 20 0 EFADHO CCC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)C1CCNCC1 ZINC000923327490 1261482214 /nfs/dbraw/zinc/48/22/14/1261482214.db2.gz QMKQOLLWYOIEKK-MRXNPFEDSA-N 1 3 340.895 2.852 20 0 EFADHO CCC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)C1CCNCC1 ZINC000923327490 1261482218 /nfs/dbraw/zinc/48/22/18/1261482218.db2.gz QMKQOLLWYOIEKK-MRXNPFEDSA-N 1 3 340.895 2.852 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C[C@@H](O)CC(F)(F)F ZINC000923345529 1261531247 /nfs/dbraw/zinc/53/12/47/1261531247.db2.gz NLRCXNATMNHFNG-ULQDDVLXSA-N 1 3 344.421 2.972 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000923381482 1261580495 /nfs/dbraw/zinc/58/04/95/1261580495.db2.gz JBFBXDSOCTVATP-CEWLAPEOSA-N 1 3 340.467 2.953 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000923389398 1261598139 /nfs/dbraw/zinc/59/81/39/1261598139.db2.gz XNZTWCMADCQVQI-ZOBUZTSGSA-N 1 3 342.405 2.670 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]CCc1ccc2ccccc2c1 ZINC001168762743 1261616112 /nfs/dbraw/zinc/61/61/12/1261616112.db2.gz HWMVOFOKPZRVOZ-UHFFFAOYSA-N 1 3 341.499 2.820 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899963 1261633573 /nfs/dbraw/zinc/63/35/73/1261633573.db2.gz SCPDADMSBBUXCN-BGYRXZFFSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]2C1 ZINC000946899963 1261633578 /nfs/dbraw/zinc/63/35/78/1261633578.db2.gz SCPDADMSBBUXCN-BGYRXZFFSA-N 1 3 343.515 2.941 20 0 EFADHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420747 1261643546 /nfs/dbraw/zinc/64/35/46/1261643546.db2.gz KBGMDHXSEYNDSK-KPOBHBOGSA-N 1 3 337.467 2.871 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923420747 1261643553 /nfs/dbraw/zinc/64/35/53/1261643553.db2.gz KBGMDHXSEYNDSK-KPOBHBOGSA-N 1 3 337.467 2.871 20 0 EFADHO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[C@H](CC[NH3+])C1 ZINC000923483533 1261754993 /nfs/dbraw/zinc/75/49/93/1261754993.db2.gz BQOCKIOGDJZGED-HNNXBMFYSA-N 1 3 341.455 2.891 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799765 1261755343 /nfs/dbraw/zinc/75/53/43/1261755343.db2.gz LAUOCXPMBOMMNF-SNRMKQJTSA-N 1 3 329.488 2.693 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(CN(C)C)c1 ZINC001032799765 1261755348 /nfs/dbraw/zinc/75/53/48/1261755348.db2.gz LAUOCXPMBOMMNF-SNRMKQJTSA-N 1 3 329.488 2.693 20 0 EFADHO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@H](CC[NH3+])C1 ZINC000923491323 1261773667 /nfs/dbraw/zinc/77/36/67/1261773667.db2.gz HWFQLOMYAAEGHS-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCC1 ZINC001032803999 1261851632 /nfs/dbraw/zinc/85/16/32/1261851632.db2.gz SVYBVGAZZIENJH-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C12CCC2)N1CCCC1 ZINC001078695600 1262223912 /nfs/dbraw/zinc/22/39/12/1262223912.db2.gz OPBJICRUKGBHQA-SJORKVTESA-N 1 3 333.520 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001078794668 1262361034 /nfs/dbraw/zinc/36/10/34/1262361034.db2.gz JXFABSGXQRRDQD-IAGOWNOFSA-N 1 3 344.503 2.714 20 0 EFADHO CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818903 1262391577 /nfs/dbraw/zinc/39/15/77/1262391577.db2.gz FGKMDNKFUBAJQJ-ROUUACIJSA-N 1 3 329.488 2.789 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001485882247 1262464946 /nfs/dbraw/zinc/46/49/46/1262464946.db2.gz QBWSHESIYMBSDR-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)NCc1ccccc1Cl ZINC001485895689 1262479990 /nfs/dbraw/zinc/47/99/90/1262479990.db2.gz NWUWWEDPWJIVQK-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001485925742 1262506229 /nfs/dbraw/zinc/50/62/29/1262506229.db2.gz FNQFMBVKSBLGCI-NVXWUHKLSA-N 1 3 340.471 2.509 20 0 EFADHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccccc1 ZINC001485960365 1262559827 /nfs/dbraw/zinc/55/98/27/1262559827.db2.gz FKFNBSDAEZPBIQ-KRWDZBQOSA-N 1 3 339.483 2.999 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C2CC2)C[C@H]1C ZINC001486128264 1262705280 /nfs/dbraw/zinc/70/52/80/1262705280.db2.gz JEBXSADUBUHGNK-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001486202721 1262787831 /nfs/dbraw/zinc/78/78/31/1262787831.db2.gz ONFPSRAUFGIEKX-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C ZINC001486420188 1263064844 /nfs/dbraw/zinc/06/48/44/1263064844.db2.gz ROVZLKGVWNEJHH-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001486465480 1263179997 /nfs/dbraw/zinc/17/99/97/1263179997.db2.gz QPKUCZOUYZEPSK-UHFFFAOYSA-N 1 3 335.517 2.620 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082507097 1263201599 /nfs/dbraw/zinc/20/15/99/1263201599.db2.gz BSRDGXVJKPYGIQ-LZQZEXGQSA-N 1 3 347.478 2.635 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082507097 1263201608 /nfs/dbraw/zinc/20/16/08/1263201608.db2.gz BSRDGXVJKPYGIQ-LZQZEXGQSA-N 1 3 347.478 2.635 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001082507964 1263202000 /nfs/dbraw/zinc/20/20/00/1263202000.db2.gz LFEBHBGZINLZIY-QRQLOZEOSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082507136 1263202102 /nfs/dbraw/zinc/20/21/02/1263202102.db2.gz DICULTGBGJQJNG-KBAYOESNSA-N 1 3 335.536 2.732 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559451 1263221521 /nfs/dbraw/zinc/22/15/21/1263221521.db2.gz FSKAVFBIVOCUCE-YSGRDPCXSA-N 1 3 343.515 2.526 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCc1ccccc1Cl ZINC001082559638 1263221789 /nfs/dbraw/zinc/22/17/89/1263221789.db2.gz KYEXQNOSVMZISZ-FSPWUOQZSA-N 1 3 349.906 2.617 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559274 1263221875 /nfs/dbraw/zinc/22/18/75/1263221875.db2.gz ADQOLKXNUSLHSO-CDHQVMDDSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)cc1 ZINC001082559275 1263222012 /nfs/dbraw/zinc/22/20/12/1263222012.db2.gz ADQOLKXNUSLHSO-YSGRDPCXSA-N 1 3 343.515 2.526 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001082561861 1263223502 /nfs/dbraw/zinc/22/35/02/1263223502.db2.gz WTGQNIMJPZCNAE-MBOZVWFJSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082575210 1263228912 /nfs/dbraw/zinc/22/89/12/1263228912.db2.gz QRXIJZGMYXKKTM-QRQLOZEOSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001082575020 1263229197 /nfs/dbraw/zinc/22/91/97/1263229197.db2.gz GMGASEUKQZZZOU-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1F ZINC001082575414 1263230586 /nfs/dbraw/zinc/23/05/86/1263230586.db2.gz DPMBJSAZZMPHMU-LZQZEXGQSA-N 1 3 349.494 2.657 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001082589047 1263231213 /nfs/dbraw/zinc/23/12/13/1263231213.db2.gz FGRPDLWWJINFMB-ATZDWAIDSA-N 1 3 331.504 2.526 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001082747217 1263291374 /nfs/dbraw/zinc/29/13/74/1263291374.db2.gz FGRPDLWWJINFMB-LZQZEXGQSA-N 1 3 331.504 2.526 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001082748296 1263293900 /nfs/dbraw/zinc/29/39/00/1263293900.db2.gz FIUPTAUSRUETHC-AHRSYUTCSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCCCC2)C1)N(C)C ZINC001082724747 1263303351 /nfs/dbraw/zinc/30/33/51/1263303351.db2.gz GMGASEUKQZZZOU-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001082741379 1263312598 /nfs/dbraw/zinc/31/25/98/1263312598.db2.gz ZFMLJTWBNWQHFJ-IIDMSEBBSA-N 1 3 349.906 2.761 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001082742365 1263313685 /nfs/dbraw/zinc/31/36/85/1263313685.db2.gz BZYLZYZWGDZTRV-SQGPQFPESA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C)c(C)c1 ZINC001082740987 1263314072 /nfs/dbraw/zinc/31/40/72/1263314072.db2.gz MHFSXIITPXCFQG-WSTZPKSXSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(CF)cc1 ZINC001082741048 1263314747 /nfs/dbraw/zinc/31/47/47/1263314747.db2.gz NSKJZHYEOCNWKF-JTDSTZFVSA-N 1 3 347.478 2.577 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)c1 ZINC001082740647 1263315201 /nfs/dbraw/zinc/31/52/01/1263315201.db2.gz BAFVPVPGQKDGRQ-QWFCFKBJSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2)C1 ZINC001082783130 1263339953 /nfs/dbraw/zinc/33/99/53/1263339953.db2.gz CDJGWTSAJCQTEQ-RLLQIKCJSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001082783334 1263340092 /nfs/dbraw/zinc/34/00/92/1263340092.db2.gz RPURBYFWXCBJRN-KBAYOESNSA-N 1 3 349.544 2.948 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CCCC2)C1 ZINC001082943590 1263425396 /nfs/dbraw/zinc/42/53/96/1263425396.db2.gz QOLVSWWYMVXBDG-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001082943615 1263425498 /nfs/dbraw/zinc/42/54/98/1263425498.db2.gz SHGFLDVBHJESTR-NXHRZFHOSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1Cc2cc(CNCc3ccnc(OCC[NH+](C)C)c3)ccc2O1 ZINC000921940866 1263620596 /nfs/dbraw/zinc/62/05/96/1263620596.db2.gz AGYUXSATSPDYIB-HNNXBMFYSA-N 1 3 341.455 2.635 20 0 EFADHO c1cc(-c2noc(C[C@H]3CSCCN3)n2)ccc1C[NH+]1CCCC1 ZINC000843174197 1263795295 /nfs/dbraw/zinc/79/52/95/1263795295.db2.gz WHSOVVBOSGTOBI-INIZCTEOSA-N 1 3 344.484 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084339931 1263834419 /nfs/dbraw/zinc/83/44/19/1263834419.db2.gz NJLIUJHUCYGGMQ-KZNAEPCWSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084339931 1263834432 /nfs/dbraw/zinc/83/44/32/1263834432.db2.gz NJLIUJHUCYGGMQ-KZNAEPCWSA-N 1 3 335.536 2.828 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001002791996 1264079534 /nfs/dbraw/zinc/07/95/34/1264079534.db2.gz LUAISXIPHNVDCU-FQEVSTJZSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001084639399 1264101674 /nfs/dbraw/zinc/10/16/74/1264101674.db2.gz QWBGIFVQQOTAPE-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21)N(C)C ZINC001084639399 1264101678 /nfs/dbraw/zinc/10/16/78/1264101678.db2.gz QWBGIFVQQOTAPE-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663003 1264168761 /nfs/dbraw/zinc/16/87/61/1264168761.db2.gz HKTBAEQTLDKPDA-GPMSIDNRSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001084663003 1264168764 /nfs/dbraw/zinc/16/87/64/1264168764.db2.gz HKTBAEQTLDKPDA-GPMSIDNRSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002859656 1264193232 /nfs/dbraw/zinc/19/32/32/1264193232.db2.gz BZFRRBROCYYXJH-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002859656 1264193235 /nfs/dbraw/zinc/19/32/35/1264193235.db2.gz BZFRRBROCYYXJH-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084768171 1264346639 /nfs/dbraw/zinc/34/66/39/1264346639.db2.gz XXKSYKMOAPQKRD-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084768171 1264346645 /nfs/dbraw/zinc/34/66/45/1264346645.db2.gz XXKSYKMOAPQKRD-GUDVDZBRSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849983 1264537209 /nfs/dbraw/zinc/53/72/09/1264537209.db2.gz CZUZUFPPLUYFOF-KFKAGJAMSA-N 1 3 347.478 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084849983 1264537213 /nfs/dbraw/zinc/53/72/13/1264537213.db2.gz CZUZUFPPLUYFOF-KFKAGJAMSA-N 1 3 347.478 2.643 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084853300 1264540620 /nfs/dbraw/zinc/54/06/20/1264540620.db2.gz GCPDBMBSCFNTTQ-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21)N1CCCCC1 ZINC001084853300 1264540627 /nfs/dbraw/zinc/54/06/27/1264540627.db2.gz GCPDBMBSCFNTTQ-VAMGGRTRSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001032840087 1264715796 /nfs/dbraw/zinc/71/57/96/1264715796.db2.gz LMIHRIPUADMHFI-KVPLUYHFSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001032840087 1264715803 /nfs/dbraw/zinc/71/58/03/1264715803.db2.gz LMIHRIPUADMHFI-KVPLUYHFSA-N 1 3 343.515 2.977 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1)N(C)C ZINC001410311578 1264728148 /nfs/dbraw/zinc/72/81/48/1264728148.db2.gz LXTKCGOCDJDTBM-RTBURBONSA-N 1 3 331.504 2.599 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001004371450 1266795011 /nfs/dbraw/zinc/79/50/11/1266795011.db2.gz OMRVUOMGHLNDQC-VAJLHQMSSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001004371450 1266795020 /nfs/dbraw/zinc/79/50/20/1266795020.db2.gz OMRVUOMGHLNDQC-VAJLHQMSSA-N 1 3 339.911 2.536 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084998169 1264876869 /nfs/dbraw/zinc/87/68/69/1264876869.db2.gz YBNMLUUIZRHYHN-YZGWKJHDSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084998169 1264876877 /nfs/dbraw/zinc/87/68/77/1264876877.db2.gz YBNMLUUIZRHYHN-YZGWKJHDSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](CCCc3ccsc3)CC2)C1 ZINC001003625434 1264985998 /nfs/dbraw/zinc/98/59/98/1264985998.db2.gz GDCUZJVEQLDVAG-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001003625713 1264986072 /nfs/dbraw/zinc/98/60/72/1264986072.db2.gz KCLAHLUIOQDTMU-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC[NH+](Cc3ccc(CF)cc3)CC2)C1 ZINC001003626378 1264987821 /nfs/dbraw/zinc/98/78/21/1264987821.db2.gz NNOFFAXIWBNAHB-INIZCTEOSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001410392450 1264992964 /nfs/dbraw/zinc/99/29/64/1264992964.db2.gz UJFCWDJIBQMXDA-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001410392452 1264994861 /nfs/dbraw/zinc/99/48/61/1264994861.db2.gz UJFCWDJIBQMXDA-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001003627575 1264996627 /nfs/dbraw/zinc/99/66/27/1264996627.db2.gz GQGYHYIUUCJSMK-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NC2CC[NH+](CC3CCC3)CC2)C1 ZINC001003628407 1264997212 /nfs/dbraw/zinc/99/72/12/1264997212.db2.gz OWNYUTYHIKAGRK-LJQANCHMSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)=CC[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628645 1264997357 /nfs/dbraw/zinc/99/73/57/1264997357.db2.gz SNBHWTPYNPNXPF-IBGZPJMESA-N 1 3 339.499 2.746 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628173 1264997699 /nfs/dbraw/zinc/99/76/99/1264997699.db2.gz NHBMCOLVDWVXDJ-HNAYVOBHSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003628452 1264998348 /nfs/dbraw/zinc/99/83/48/1264998348.db2.gz PZGPHCYZZCHBHI-DLBZAZTESA-N 1 3 329.488 2.813 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628171 1264998683 /nfs/dbraw/zinc/99/86/83/1264998683.db2.gz NHBMCOLVDWVXDJ-BEFAXECRSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1nn(C)c(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1Cl ZINC000922244273 1265072178 /nfs/dbraw/zinc/07/21/78/1265072178.db2.gz SNYBKWOEFWNUGI-UHFFFAOYSA-N 1 3 347.894 2.779 20 0 EFADHO Cc1nn(C)c(CNCC2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000922244273 1265072186 /nfs/dbraw/zinc/07/21/86/1265072186.db2.gz SNYBKWOEFWNUGI-UHFFFAOYSA-N 1 3 347.894 2.779 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001003735888 1265111524 /nfs/dbraw/zinc/11/15/24/1265111524.db2.gz MPYJSTCKCRKGHH-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(SC(F)(F)F)cc1 ZINC000387732031 1266666431 /nfs/dbraw/zinc/66/64/31/1266666431.db2.gz UWJDRAIZSQTVPJ-UHFFFAOYSA-N 1 3 333.423 2.636 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004459389 1267096881 /nfs/dbraw/zinc/09/68/81/1267096881.db2.gz UEWYYIYNNYATIF-VQTJNVASSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004459389 1267096891 /nfs/dbraw/zinc/09/68/91/1267096891.db2.gz UEWYYIYNNYATIF-VQTJNVASSA-N 1 3 347.547 2.996 20 0 EFADHO C[NH+](C)CC(C)(C)CNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001168769501 1267134129 /nfs/dbraw/zinc/13/41/29/1267134129.db2.gz VORUUEWMKWZDNS-QGZVFWFLSA-N 1 3 330.476 2.600 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033125952 1267141204 /nfs/dbraw/zinc/14/12/04/1267141204.db2.gz JJALMUFXQVCPOQ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033125952 1267141207 /nfs/dbraw/zinc/14/12/07/1267141207.db2.gz JJALMUFXQVCPOQ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125412 1267151901 /nfs/dbraw/zinc/15/19/01/1267151901.db2.gz CZRALIYNYQAKBV-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033125412 1267151904 /nfs/dbraw/zinc/15/19/04/1267151904.db2.gz CZRALIYNYQAKBV-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621252 1267194070 /nfs/dbraw/zinc/19/40/70/1267194070.db2.gz QZFBHTHUCOWXFN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946621252 1267194076 /nfs/dbraw/zinc/19/40/76/1267194076.db2.gz QZFBHTHUCOWXFN-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623936 1267219912 /nfs/dbraw/zinc/21/99/12/1267219912.db2.gz VBYPCVFRCINPRK-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN(C)C3CCC3)CC[C@@H]2C1 ZINC000946623936 1267219916 /nfs/dbraw/zinc/21/99/16/1267219916.db2.gz VBYPCVFRCINPRK-OKZBNKHCSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)C1CCC1 ZINC000946623930 1267220500 /nfs/dbraw/zinc/22/05/00/1267220500.db2.gz UTRUOLKZLIOSIX-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)C1CCC1 ZINC000946623930 1267220507 /nfs/dbraw/zinc/22/05/07/1267220507.db2.gz UTRUOLKZLIOSIX-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC=C(C)C)CC1)N(C)C ZINC001004545600 1267266945 /nfs/dbraw/zinc/26/69/45/1267266945.db2.gz DQDMYLCCPRQGDW-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC=C(C)C)CC1)N(C)C ZINC001004545600 1267266951 /nfs/dbraw/zinc/26/69/51/1267266951.db2.gz DQDMYLCCPRQGDW-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614845 1267382734 /nfs/dbraw/zinc/38/27/34/1267382734.db2.gz CFPRDEJHWJXPEX-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614845 1267382745 /nfs/dbraw/zinc/38/27/45/1267382745.db2.gz CFPRDEJHWJXPEX-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614498 1267383289 /nfs/dbraw/zinc/38/32/89/1267383289.db2.gz BXTGRFBTALRNJC-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614498 1267383303 /nfs/dbraw/zinc/38/33/03/1267383303.db2.gz BXTGRFBTALRNJC-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633190 1267388422 /nfs/dbraw/zinc/38/84/22/1267388422.db2.gz MCWWDCHCVHWVNV-OTWHNJEPSA-N 1 3 335.536 2.709 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946633190 1267388435 /nfs/dbraw/zinc/38/84/35/1267388435.db2.gz MCWWDCHCVHWVNV-OTWHNJEPSA-N 1 3 335.536 2.709 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615885 1267408575 /nfs/dbraw/zinc/40/85/75/1267408575.db2.gz IPYNZMOIRNZQFJ-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615885 1267408578 /nfs/dbraw/zinc/40/85/78/1267408578.db2.gz IPYNZMOIRNZQFJ-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004618442 1267411852 /nfs/dbraw/zinc/41/18/52/1267411852.db2.gz DTYFJVMIJIADQJ-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004618442 1267411857 /nfs/dbraw/zinc/41/18/57/1267411857.db2.gz DTYFJVMIJIADQJ-WOJBJXKFSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946642632 1267449201 /nfs/dbraw/zinc/44/92/01/1267449201.db2.gz OFTQAGFWKBBBRP-QCRHNUIXSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]2CC1)N(C)C ZINC000946642632 1267449206 /nfs/dbraw/zinc/44/92/06/1267449206.db2.gz OFTQAGFWKBBBRP-QCRHNUIXSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1)N(C)C ZINC000946642936 1267450179 /nfs/dbraw/zinc/45/01/79/1267450179.db2.gz WWOGKQVTNSAYSU-FGTMMUONSA-N 1 3 349.544 2.759 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CC1)N(C)C ZINC000946642936 1267450182 /nfs/dbraw/zinc/45/01/82/1267450182.db2.gz WWOGKQVTNSAYSU-FGTMMUONSA-N 1 3 349.544 2.759 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[NH+](CC)CC ZINC000735992121 1267481394 /nfs/dbraw/zinc/48/13/94/1267481394.db2.gz SRDFZDIQLQHCLR-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO CCCc1ccc(C[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001273341485 1267685606 /nfs/dbraw/zinc/68/56/06/1267685606.db2.gz QRWUBWUTCDVISO-LJQANCHMSA-N 1 3 349.544 2.687 20 0 EFADHO CCCc1ccc(C[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)s1 ZINC001273341485 1267685608 /nfs/dbraw/zinc/68/56/08/1267685608.db2.gz QRWUBWUTCDVISO-LJQANCHMSA-N 1 3 349.544 2.687 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001128534478 1267710170 /nfs/dbraw/zinc/71/01/70/1267710170.db2.gz YISJEKQYZHJVCH-CJNGLKHVSA-N 1 3 343.874 2.787 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC001128543124 1267750038 /nfs/dbraw/zinc/75/00/38/1267750038.db2.gz BVRJGTHHTNEIPY-SJLPKXTDSA-N 1 3 337.483 2.750 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085593083 1267937405 /nfs/dbraw/zinc/93/74/05/1267937405.db2.gz AJIGLQSSOKSBEN-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085593083 1267937415 /nfs/dbraw/zinc/93/74/15/1267937415.db2.gz AJIGLQSSOKSBEN-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085593504 1267938999 /nfs/dbraw/zinc/93/89/99/1267938999.db2.gz KTZPAFKEFVYLAL-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085593504 1267939005 /nfs/dbraw/zinc/93/90/05/1267939005.db2.gz KTZPAFKEFVYLAL-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001085604626 1267981973 /nfs/dbraw/zinc/98/19/73/1267981973.db2.gz NHUGCTYEUOFAMP-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H]2CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001085604626 1267981974 /nfs/dbraw/zinc/98/19/74/1267981974.db2.gz NHUGCTYEUOFAMP-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085629256 1268051288 /nfs/dbraw/zinc/05/12/88/1268051288.db2.gz QBKZXRIGXOGBLL-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085629256 1268051299 /nfs/dbraw/zinc/05/12/99/1268051299.db2.gz QBKZXRIGXOGBLL-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001085629218 1268052109 /nfs/dbraw/zinc/05/21/09/1268052109.db2.gz OGXNXFXYMYOWBM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001085629218 1268052116 /nfs/dbraw/zinc/05/21/16/1268052116.db2.gz OGXNXFXYMYOWBM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001004945657 1268228463 /nfs/dbraw/zinc/22/84/63/1268228463.db2.gz JVQGZTAFDSYPKJ-QFBILLFUSA-N 1 3 340.471 2.820 20 0 EFADHO CN(C[C@@H]1CCN1Cc1ccccc1)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085700098 1268231827 /nfs/dbraw/zinc/23/18/27/1268231827.db2.gz FAJVAGRPFFSRET-SFHVURJKSA-N 1 3 334.423 2.681 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004946825 1268232995 /nfs/dbraw/zinc/23/29/95/1268232995.db2.gz YUUMWOSTUJWPSR-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946764892 1268256602 /nfs/dbraw/zinc/25/66/02/1268256602.db2.gz DEBNIVNYGKMVLF-CEXWTWQISA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC[C@@H]2C1 ZINC000946764892 1268256609 /nfs/dbraw/zinc/25/66/09/1268256609.db2.gz DEBNIVNYGKMVLF-CEXWTWQISA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033224040 1268292256 /nfs/dbraw/zinc/29/22/56/1268292256.db2.gz YROSQPOCLBHWAX-PMACEKPBSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033224040 1268292269 /nfs/dbraw/zinc/29/22/69/1268292269.db2.gz YROSQPOCLBHWAX-PMACEKPBSA-N 1 3 343.515 2.840 20 0 EFADHO CC/C=C\CCC[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273116933 1268323737 /nfs/dbraw/zinc/32/37/37/1268323737.db2.gz UHNSVEIKIFVGCY-KKHYBRAUSA-N 1 3 335.536 2.999 20 0 EFADHO CC/C=C\CCC[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001273116933 1268323747 /nfs/dbraw/zinc/32/37/47/1268323747.db2.gz UHNSVEIKIFVGCY-KKHYBRAUSA-N 1 3 335.536 2.999 20 0 EFADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033229706 1268338537 /nfs/dbraw/zinc/33/85/37/1268338537.db2.gz VPCZCBDUWQDGSK-GOSISDBHSA-N 1 3 331.504 2.648 20 0 EFADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085741978 1268391338 /nfs/dbraw/zinc/39/13/38/1268391338.db2.gz FIPKHKVBUPDXEQ-FUHWJXTLSA-N 1 3 349.494 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946778985 1268504451 /nfs/dbraw/zinc/50/44/51/1268504451.db2.gz AXZRZKZZXQUEGN-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC4CCCC4)C[C@H]3CC2)C1 ZINC000946778985 1268504461 /nfs/dbraw/zinc/50/44/61/1268504461.db2.gz AXZRZKZZXQUEGN-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779638 1268515914 /nfs/dbraw/zinc/51/59/14/1268515914.db2.gz RSKLZCWFGYHFFG-HCXYKTFWSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779638 1268515922 /nfs/dbraw/zinc/51/59/22/1268515922.db2.gz RSKLZCWFGYHFFG-HCXYKTFWSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946784148 1268557824 /nfs/dbraw/zinc/55/78/24/1268557824.db2.gz CJGLVIDVXSONJR-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)N(C)C ZINC000946784148 1268557837 /nfs/dbraw/zinc/55/78/37/1268557837.db2.gz CJGLVIDVXSONJR-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784386 1268580521 /nfs/dbraw/zinc/58/05/21/1268580521.db2.gz IPCVOYIWNDWTKP-OTWHNJEPSA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946784386 1268580524 /nfs/dbraw/zinc/58/05/24/1268580524.db2.gz IPCVOYIWNDWTKP-OTWHNJEPSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]2CC1)N(C)C ZINC000946784840 1268584925 /nfs/dbraw/zinc/58/49/25/1268584925.db2.gz WWPUNPJSPRDBNX-ZCNNSNEGSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]2CC1)N(C)C ZINC000946784840 1268584929 /nfs/dbraw/zinc/58/49/29/1268584929.db2.gz WWPUNPJSPRDBNX-ZCNNSNEGSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@@H]2CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001085799463 1268596552 /nfs/dbraw/zinc/59/65/52/1268596552.db2.gz RLWDUQNJVHYAHX-YLJYHZDGSA-N 1 3 343.515 2.931 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001033295020 1268689787 /nfs/dbraw/zinc/68/97/87/1268689787.db2.gz HCTMWDZMEDPLIL-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001033295020 1268689793 /nfs/dbraw/zinc/68/97/93/1268689793.db2.gz HCTMWDZMEDPLIL-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033295189 1268691750 /nfs/dbraw/zinc/69/17/50/1268691750.db2.gz IUNHTKPHRQFQNA-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033295189 1268691763 /nfs/dbraw/zinc/69/17/63/1268691763.db2.gz IUNHTKPHRQFQNA-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033295177 1268692225 /nfs/dbraw/zinc/69/22/25/1268692225.db2.gz IUNHTKPHRQFQNA-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033295177 1268692226 /nfs/dbraw/zinc/69/22/26/1268692226.db2.gz IUNHTKPHRQFQNA-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946801089 1268727464 /nfs/dbraw/zinc/72/74/64/1268727464.db2.gz YPGMFZJVEQMJOZ-HDICACEKSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946801089 1268727468 /nfs/dbraw/zinc/72/74/68/1268727468.db2.gz YPGMFZJVEQMJOZ-HDICACEKSA-N 1 3 344.503 2.703 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001033317535 1268774469 /nfs/dbraw/zinc/77/44/69/1268774469.db2.gz AVGYLJLRGHOHGJ-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001033317535 1268774472 /nfs/dbraw/zinc/77/44/72/1268774472.db2.gz AVGYLJLRGHOHGJ-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001033317906 1268774798 /nfs/dbraw/zinc/77/47/98/1268774798.db2.gz DVGPOPHTLMWSNG-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033318637 1268779582 /nfs/dbraw/zinc/77/95/82/1268779582.db2.gz KABQYJIUSUQJEX-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033318637 1268779591 /nfs/dbraw/zinc/77/95/91/1268779591.db2.gz KABQYJIUSUQJEX-KRWDZBQOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033320988 1268782946 /nfs/dbraw/zinc/78/29/46/1268782946.db2.gz YXSCSMGRNJBPOI-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033320988 1268782955 /nfs/dbraw/zinc/78/29/55/1268782955.db2.gz YXSCSMGRNJBPOI-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(CCc2ccccc2)C1 ZINC001033320988 1268782960 /nfs/dbraw/zinc/78/29/60/1268782960.db2.gz YXSCSMGRNJBPOI-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875854 1268900782 /nfs/dbraw/zinc/90/07/82/1268900782.db2.gz LCEQNHZGLQOOFA-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CCN(CCCF)C1 ZINC001033365718 1268949022 /nfs/dbraw/zinc/94/90/22/1268949022.db2.gz QZUAVVODTJMDHC-ROUUACIJSA-N 1 3 339.499 2.676 20 0 EFADHO CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CCN(CCCF)C1 ZINC001033365718 1268949030 /nfs/dbraw/zinc/94/90/30/1268949030.db2.gz QZUAVVODTJMDHC-ROUUACIJSA-N 1 3 339.499 2.676 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001033396160 1269014410 /nfs/dbraw/zinc/01/44/10/1269014410.db2.gz NCKQZSSDFSTQAJ-HXUWFJFHSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001033390054 1269053758 /nfs/dbraw/zinc/05/37/58/1269053758.db2.gz HWSFQYXKAXMMRI-FQEVSTJZSA-N 1 3 343.515 2.624 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085918503 1269082262 /nfs/dbraw/zinc/08/22/62/1269082262.db2.gz FJTDIBTYXURLFH-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085918503 1269082270 /nfs/dbraw/zinc/08/22/70/1269082270.db2.gz FJTDIBTYXURLFH-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085918503 1269082282 /nfs/dbraw/zinc/08/22/82/1269082282.db2.gz FJTDIBTYXURLFH-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC1CCC1 ZINC001085918503 1269082286 /nfs/dbraw/zinc/08/22/86/1269082286.db2.gz FJTDIBTYXURLFH-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033415131 1269083256 /nfs/dbraw/zinc/08/32/56/1269083256.db2.gz HDJGJWAOMDRYMH-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033415131 1269083263 /nfs/dbraw/zinc/08/32/63/1269083263.db2.gz HDJGJWAOMDRYMH-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417264 1269092491 /nfs/dbraw/zinc/09/24/91/1269092491.db2.gz VRPXBPOFYRQALJ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033417264 1269092495 /nfs/dbraw/zinc/09/24/95/1269092495.db2.gz VRPXBPOFYRQALJ-YJBOKZPZSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCc3ccsc3)C2)C1 ZINC001033418994 1269097784 /nfs/dbraw/zinc/09/77/84/1269097784.db2.gz GDZWYEIYLZMJKY-AEFFLSMTSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC001033418994 1269097787 /nfs/dbraw/zinc/09/77/87/1269097787.db2.gz GDZWYEIYLZMJKY-AEFFLSMTSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001033418810 1269098486 /nfs/dbraw/zinc/09/84/86/1269098486.db2.gz DBMHTFJOCKVNLF-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001033418810 1269098492 /nfs/dbraw/zinc/09/84/92/1269098492.db2.gz DBMHTFJOCKVNLF-OXQOHEQNSA-N 1 3 343.515 2.678 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085919319 1269104174 /nfs/dbraw/zinc/10/41/74/1269104174.db2.gz YUQLJKRLVSJEDU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CCC1CC1 ZINC001085919319 1269104181 /nfs/dbraw/zinc/10/41/81/1269104181.db2.gz YUQLJKRLVSJEDU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085919319 1269104187 /nfs/dbraw/zinc/10/41/87/1269104187.db2.gz YUQLJKRLVSJEDU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085919319 1269104191 /nfs/dbraw/zinc/10/41/91/1269104191.db2.gz YUQLJKRLVSJEDU-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001033425811 1269131626 /nfs/dbraw/zinc/13/16/26/1269131626.db2.gz ZTCKGKUHQHDGGY-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001033425811 1269131630 /nfs/dbraw/zinc/13/16/30/1269131630.db2.gz ZTCKGKUHQHDGGY-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033472623 1269258740 /nfs/dbraw/zinc/25/87/40/1269258740.db2.gz ZILVNWJLUPGZFH-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033472623 1269258751 /nfs/dbraw/zinc/25/87/51/1269258751.db2.gz ZILVNWJLUPGZFH-PMACEKPBSA-N 1 3 343.515 2.982 20 0 EFADHO CC1CCC(CN2CCN(C(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001113676097 1278473159 /nfs/dbraw/zinc/47/31/59/1278473159.db2.gz FYQXNQVMZCSTMV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001005177699 1269335495 /nfs/dbraw/zinc/33/54/95/1269335495.db2.gz CYFOQNPINCHFIU-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCCc2ccsc2)CC1 ZINC001005181020 1269341254 /nfs/dbraw/zinc/34/12/54/1269341254.db2.gz UZJWWFCTTSLUEI-SFHVURJKSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001005181810 1269342692 /nfs/dbraw/zinc/34/26/92/1269342692.db2.gz ZVOTYXRIEKIZOQ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972507 1269366692 /nfs/dbraw/zinc/36/66/92/1269366692.db2.gz AZQHMSOOYHRCKD-OALUTQOASA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085972507 1269366702 /nfs/dbraw/zinc/36/67/02/1269366702.db2.gz AZQHMSOOYHRCKD-OALUTQOASA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986808 1269397604 /nfs/dbraw/zinc/39/76/04/1269397604.db2.gz NKEBBXXRSKLNRF-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085986808 1269397615 /nfs/dbraw/zinc/39/76/15/1269397615.db2.gz NKEBBXXRSKLNRF-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001085986479 1269398672 /nfs/dbraw/zinc/39/86/72/1269398672.db2.gz FKOQHMWGIVBLAE-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]2CN(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001085986479 1269398678 /nfs/dbraw/zinc/39/86/78/1269398678.db2.gz FKOQHMWGIVBLAE-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987226 1269399743 /nfs/dbraw/zinc/39/97/43/1269399743.db2.gz XEOSBBISUWLWNV-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1CN(C)C ZINC001085987226 1269399759 /nfs/dbraw/zinc/39/97/59/1269399759.db2.gz XEOSBBISUWLWNV-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984726 1269410377 /nfs/dbraw/zinc/41/03/77/1269410377.db2.gz MAKNBVXPUZYWRX-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273382872 1269433050 /nfs/dbraw/zinc/43/30/50/1269433050.db2.gz BCXHDWOQAHKWBH-QZTJIDSGSA-N 1 3 349.906 2.775 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033573395 1269471688 /nfs/dbraw/zinc/47/16/88/1269471688.db2.gz GQYOOZKKHCYHKP-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033573395 1269471693 /nfs/dbraw/zinc/47/16/93/1269471693.db2.gz GQYOOZKKHCYHKP-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033573399 1269471737 /nfs/dbraw/zinc/47/17/37/1269471737.db2.gz GQYOOZKKHCYHKP-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033573399 1269471742 /nfs/dbraw/zinc/47/17/42/1269471742.db2.gz GQYOOZKKHCYHKP-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033581314 1269487745 /nfs/dbraw/zinc/48/77/45/1269487745.db2.gz JJGLPOIJJKUCFX-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033581314 1269487747 /nfs/dbraw/zinc/48/77/47/1269487747.db2.gz JJGLPOIJJKUCFX-VQTJNVASSA-N 1 3 343.515 2.678 20 0 EFADHO CN1CCCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000700785547 1269502764 /nfs/dbraw/zinc/50/27/64/1269502764.db2.gz GZJLZQAWRKGPNK-JKSUJKDBSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001033593646 1269517697 /nfs/dbraw/zinc/51/76/97/1269517697.db2.gz JBLMBRBBGYVBKN-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001033593646 1269517711 /nfs/dbraw/zinc/51/77/11/1269517711.db2.gz JBLMBRBBGYVBKN-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661532 1269757503 /nfs/dbraw/zinc/75/75/03/1269757503.db2.gz LOTSGIUIABMIKB-WOJBJXKFSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(C3CC3)cc2)C1 ZINC001033661532 1269757508 /nfs/dbraw/zinc/75/75/08/1269757508.db2.gz LOTSGIUIABMIKB-WOJBJXKFSA-N 1 3 341.499 2.548 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033662151 1269761124 /nfs/dbraw/zinc/76/11/24/1269761124.db2.gz OECSTRKWJCRGLF-PMACEKPBSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033662151 1269761128 /nfs/dbraw/zinc/76/11/28/1269761128.db2.gz OECSTRKWJCRGLF-PMACEKPBSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086085130 1269858774 /nfs/dbraw/zinc/85/87/74/1269858774.db2.gz UGOFRVVCMWZQGK-CEXWTWQISA-N 1 3 333.520 2.844 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2)CN1C(=O)CN(C)C1CCC1 ZINC001410859870 1269900216 /nfs/dbraw/zinc/90/02/16/1269900216.db2.gz LKHPPVXWLOQJBL-FFRPFHMCSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086091175 1269916629 /nfs/dbraw/zinc/91/66/29/1269916629.db2.gz MHXQRNONLXSMEB-IMSKVBIZSA-N 1 3 347.478 2.711 20 0 EFADHO C[C@H](N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1F ZINC001086091175 1269916636 /nfs/dbraw/zinc/91/66/36/1269916636.db2.gz MHXQRNONLXSMEB-IMSKVBIZSA-N 1 3 347.478 2.711 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086102189 1269972518 /nfs/dbraw/zinc/97/25/18/1269972518.db2.gz MGWOERCJLMMXIV-CEXWTWQISA-N 1 3 333.520 2.846 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001086102219 1269973453 /nfs/dbraw/zinc/97/34/53/1269973453.db2.gz NLUZXOZYWMIGGS-HSALFYBXSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033826259 1270249326 /nfs/dbraw/zinc/24/93/26/1270249326.db2.gz NPSNINVALCDMEB-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C(C)C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033826259 1270249333 /nfs/dbraw/zinc/24/93/33/1270249333.db2.gz NPSNINVALCDMEB-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](CNC/C(Cl)=C\Cl)C2)CC1 ZINC001410941040 1270305142 /nfs/dbraw/zinc/30/51/42/1270305142.db2.gz JVNYQAQLOQFOIW-BZOBAROVSA-N 1 3 348.318 2.522 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033836822 1270312173 /nfs/dbraw/zinc/31/21/73/1270312173.db2.gz DRHVOFFRKBCTSR-YZGWKJHDSA-N 1 3 343.515 2.758 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033836822 1270312186 /nfs/dbraw/zinc/31/21/86/1270312186.db2.gz DRHVOFFRKBCTSR-YZGWKJHDSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001410952115 1270422033 /nfs/dbraw/zinc/42/20/33/1270422033.db2.gz KJUFDPCPWYWCAJ-MSOLQXFVSA-N 1 3 329.488 2.545 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128773884 1270525080 /nfs/dbraw/zinc/52/50/80/1270525080.db2.gz HREHIDOKTJOREY-INIZCTEOSA-N 1 3 341.858 2.559 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001128773884 1270525086 /nfs/dbraw/zinc/52/50/86/1270525086.db2.gz HREHIDOKTJOREY-INIZCTEOSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001086271983 1270783952 /nfs/dbraw/zinc/78/39/52/1270783952.db2.gz QKTZGDJNZJOEET-OIISXLGYSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001086271983 1270783957 /nfs/dbraw/zinc/78/39/57/1270783957.db2.gz QKTZGDJNZJOEET-OIISXLGYSA-N 1 3 349.906 2.585 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040526 1270917077 /nfs/dbraw/zinc/91/70/77/1270917077.db2.gz VAANNMCDJOAWBJ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040526 1270917084 /nfs/dbraw/zinc/91/70/84/1270917084.db2.gz VAANNMCDJOAWBJ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040523 1270917159 /nfs/dbraw/zinc/91/71/59/1270917159.db2.gz VAANNMCDJOAWBJ-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040523 1270917162 /nfs/dbraw/zinc/91/71/62/1270917162.db2.gz VAANNMCDJOAWBJ-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040524 1270917755 /nfs/dbraw/zinc/91/77/55/1270917755.db2.gz VAANNMCDJOAWBJ-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(C)c(C)c2)C1 ZINC001034040524 1270917758 /nfs/dbraw/zinc/91/77/58/1270917758.db2.gz VAANNMCDJOAWBJ-UXHICEINSA-N 1 3 343.515 2.678 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041985 1270946923 /nfs/dbraw/zinc/94/69/23/1270946923.db2.gz JZTHPZKMKYWCEQ-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001034041985 1270946926 /nfs/dbraw/zinc/94/69/26/1270946926.db2.gz JZTHPZKMKYWCEQ-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC001006298391 1271076784 /nfs/dbraw/zinc/07/67/84/1271076784.db2.gz JJEQAWLKCHTYGU-UHFFFAOYSA-N 1 3 347.528 2.575 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001086364751 1271168421 /nfs/dbraw/zinc/16/84/21/1271168421.db2.gz QCJHPDGNAYLWIP-KBAYOESNSA-N 1 3 335.536 2.780 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001086364671 1271168709 /nfs/dbraw/zinc/16/87/09/1271168709.db2.gz NAMCSSCWNZJGQR-UFYCRDLUSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1F ZINC001034133257 1271184254 /nfs/dbraw/zinc/18/42/54/1271184254.db2.gz XGXBCIYYPMTEAG-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCCC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1F ZINC001034133257 1271184257 /nfs/dbraw/zinc/18/42/57/1271184257.db2.gz XGXBCIYYPMTEAG-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001086371229 1271185768 /nfs/dbraw/zinc/18/57/68/1271185768.db2.gz XDLMEQRWRRJYPT-MUIFIZLQSA-N 1 3 349.906 2.665 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001086371229 1271185774 /nfs/dbraw/zinc/18/57/74/1271185774.db2.gz XDLMEQRWRRJYPT-MUIFIZLQSA-N 1 3 349.906 2.665 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001411123479 1271371462 /nfs/dbraw/zinc/37/14/62/1271371462.db2.gz XUDDZHOTYYAHES-VQIMIIECSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(CCc2ccccc2F)[C@@H]1C ZINC001411123479 1271371465 /nfs/dbraw/zinc/37/14/65/1271371465.db2.gz XUDDZHOTYYAHES-VQIMIIECSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(CF)cc2)C1)[NH+](C)C ZINC001409974992 1271437870 /nfs/dbraw/zinc/43/78/70/1271437870.db2.gz XKBZPZGMRGRSRW-HNAYVOBHSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](CCC2CC2)C1 ZINC001034289342 1271570399 /nfs/dbraw/zinc/57/03/99/1271570399.db2.gz TUCRRCOVXXMCOM-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CC2)C1 ZINC001034289342 1271570404 /nfs/dbraw/zinc/57/04/04/1271570404.db2.gz TUCRRCOVXXMCOM-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(N[C@H]1CCCCN(Cc2cccnc2)C1)c1ccn2cncc2c1 ZINC001034292936 1271578748 /nfs/dbraw/zinc/57/87/48/1271578748.db2.gz UHYHXWRLPFYHBC-SFHVURJKSA-N 1 3 349.438 2.514 20 0 EFADHO O=C(N[C@H]1CCCCN(Cc2cccnc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034292936 1271578754 /nfs/dbraw/zinc/57/87/54/1271578754.db2.gz UHYHXWRLPFYHBC-SFHVURJKSA-N 1 3 349.438 2.514 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC1 ZINC001086465601 1271620973 /nfs/dbraw/zinc/62/09/73/1271620973.db2.gz LWAAOCOSEQATOJ-CZIWCDLHSA-N 1 3 349.906 2.666 20 0 EFADHO O=C(N[C@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331536 1271675160 /nfs/dbraw/zinc/67/51/60/1271675160.db2.gz SWZOBCNBVQJNOZ-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCC[N@@H+](CCC2CC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001034331536 1271675170 /nfs/dbraw/zinc/67/51/70/1271675170.db2.gz SWZOBCNBVQJNOZ-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001411250290 1272137823 /nfs/dbraw/zinc/13/78/23/1272137823.db2.gz QIFSVLUBZSBIAZ-LMDPOFIKSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001034533227 1272214952 /nfs/dbraw/zinc/21/49/52/1272214952.db2.gz SVMYRROUCWTZEU-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001034533227 1272214958 /nfs/dbraw/zinc/21/49/58/1272214958.db2.gz SVMYRROUCWTZEU-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)c1 ZINC001034537771 1272239129 /nfs/dbraw/zinc/23/91/29/1272239129.db2.gz OIUXVDBWPGYURD-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)c1 ZINC001034537771 1272239132 /nfs/dbraw/zinc/23/91/32/1272239132.db2.gz OIUXVDBWPGYURD-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)CCN1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038557369 1272253906 /nfs/dbraw/zinc/25/39/06/1272253906.db2.gz VGCHDWWUPUKHSC-GOSISDBHSA-N 1 3 331.504 2.641 20 0 EFADHO COC(=O)C1(C)CCC(N2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC001168797168 1272405336 /nfs/dbraw/zinc/40/53/36/1272405336.db2.gz QUEZOWPHRYLFMU-UHFFFAOYSA-N 1 3 331.460 2.634 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC001168756244 1272552137 /nfs/dbraw/zinc/55/21/37/1272552137.db2.gz XGOPHLLSUKCUGT-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001168756211 1272562061 /nfs/dbraw/zinc/56/20/61/1272562061.db2.gz WUTJFILNYLYHAA-KRWDZBQOSA-N 1 3 337.895 2.765 20 0 EFADHO CCCN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169101847 1272653469 /nfs/dbraw/zinc/65/34/69/1272653469.db2.gz VTMAUZPAULTMEJ-MUJYYYPQSA-N 1 3 325.497 2.848 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC001169079152 1272659314 /nfs/dbraw/zinc/65/93/14/1272659314.db2.gz JCRPKWKHFXNPDP-JONQDZQNSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131591 1272688313 /nfs/dbraw/zinc/68/83/13/1272688313.db2.gz WFJZNLWQVFFELM-FVQHAEBGSA-N 1 3 349.519 2.945 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC3(C1)CCN(C(=O)OC(C)(C)C)CC3)C2 ZINC001169131590 1272688740 /nfs/dbraw/zinc/68/87/40/1272688740.db2.gz WFJZNLWQVFFELM-BJWYYQGGSA-N 1 3 349.519 2.945 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[C@H]1CC(=O)N3c1ccsc1)C2 ZINC001169138495 1272697289 /nfs/dbraw/zinc/69/72/89/1272697289.db2.gz HRLSNWVKRSIWKN-QMPXSYISSA-N 1 3 331.485 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@H]3[C@H]1CC(=O)N3c1ccsc1)C2 ZINC001169138495 1272697318 /nfs/dbraw/zinc/69/73/18/1272697318.db2.gz HRLSNWVKRSIWKN-QMPXSYISSA-N 1 3 331.485 2.553 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(c3noc(C(F)(F)F)n3)CC1)C2 ZINC001169142791 1272705570 /nfs/dbraw/zinc/70/55/70/1272705570.db2.gz VXHAEMILRQRUIY-ITGUQSILSA-N 1 3 344.381 2.893 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169147280 1272708956 /nfs/dbraw/zinc/70/89/56/1272708956.db2.gz TYRFBZWITVBSBY-PMOLBWCYSA-N 1 3 331.479 2.959 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCN(Cc3ccc(F)cc3)CC1)C2 ZINC001169147280 1272708963 /nfs/dbraw/zinc/70/89/63/1272708963.db2.gz TYRFBZWITVBSBY-PMOLBWCYSA-N 1 3 331.479 2.959 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153059 1272714501 /nfs/dbraw/zinc/71/45/01/1272714501.db2.gz GKONRMANULSLQN-RCJHGTSTSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153059 1272714506 /nfs/dbraw/zinc/71/45/06/1272714506.db2.gz GKONRMANULSLQN-RCJHGTSTSA-N 1 3 337.508 2.848 20 0 EFADHO CN(C[C@H]1CCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001169154491 1272716554 /nfs/dbraw/zinc/71/65/54/1272716554.db2.gz REZGMYKCQAMGRD-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C[C@H]1CCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001169154491 1272716558 /nfs/dbraw/zinc/71/65/58/1272716558.db2.gz REZGMYKCQAMGRD-TWMKSMIVSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C[C@H]1CCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001169154492 1272716631 /nfs/dbraw/zinc/71/66/31/1272716631.db2.gz REZGMYKCQAMGRD-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO CN(C[C@H]1CCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001169154492 1272716637 /nfs/dbraw/zinc/71/66/37/1272716637.db2.gz REZGMYKCQAMGRD-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO CC(C)N1CCN(Cc2ccc(-n3ccc([C@@H](C)[NH3+])n3)c(F)c2)CC1 ZINC001169237788 1272761020 /nfs/dbraw/zinc/76/10/20/1272761020.db2.gz PQYDHIDOFKJHEZ-OAHLLOKOSA-N 1 3 345.466 2.557 20 0 EFADHO CC[NH+]1CCC(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001169246026 1272768882 /nfs/dbraw/zinc/76/88/82/1272768882.db2.gz MGWWMDSUCNHKOF-IBGZPJMESA-N 1 3 337.508 2.804 20 0 EFADHO CCN1CCC([NH+]2C[C@@H]3CN(Cc4ccc(C)cc4)C[C@H]3C2)CC1 ZINC001169249703 1272774129 /nfs/dbraw/zinc/77/41/29/1272774129.db2.gz JYDJERAMWJKMCW-PMACEKPBSA-N 1 3 327.516 2.843 20 0 EFADHO CC[NH+]1CCC(N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001169251187 1272774201 /nfs/dbraw/zinc/77/42/01/1272774201.db2.gz VLPQHINHSLPAJH-RDJZCZTQSA-N 1 3 337.508 2.802 20 0 EFADHO CC[NH+]1CCC(N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC001169269023 1272796038 /nfs/dbraw/zinc/79/60/38/1272796038.db2.gz TVYNKRJTNHJPLX-UHFFFAOYSA-N 1 3 341.297 2.767 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034775372 1272924464 /nfs/dbraw/zinc/92/44/64/1272924464.db2.gz MYGSCPPICBRRJK-BRWVUGGUSA-N 1 3 327.488 2.628 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)N1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC001169451968 1272925698 /nfs/dbraw/zinc/92/56/98/1272925698.db2.gz KICPJQHYAHMDGW-INIZCTEOSA-N 1 3 349.494 2.809 20 0 EFADHO CC(=O)N1CC[C@@H](N(Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001169521748 1272986478 /nfs/dbraw/zinc/98/64/78/1272986478.db2.gz UBCFAWSZOKNQAZ-KZNAEPCWSA-N 1 3 333.451 2.518 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001169645672 1273061787 /nfs/dbraw/zinc/06/17/87/1273061787.db2.gz AMRZRVYSWFPTFL-OAHLLOKOSA-N 1 3 325.497 2.978 20 0 EFADHO CCOC(=O)N1CCC[C@@H]([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC001169661223 1273073884 /nfs/dbraw/zinc/07/38/84/1273073884.db2.gz HPBRVSNKYADGHF-MRXNPFEDSA-N 1 3 337.508 2.994 20 0 EFADHO C[C@H](CCCC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@H]1CCCN1C ZINC001169809934 1273175481 /nfs/dbraw/zinc/17/54/81/1273175481.db2.gz MLXIOAFSJBQABD-AOSXOHOOSA-N 1 3 336.307 2.664 20 0 EFADHO COc1cccc(C2([NH3+])CCN([C@@H]3CCCC4(C3)OCCO4)CC2)c1 ZINC001169929159 1273249238 /nfs/dbraw/zinc/24/92/38/1273249238.db2.gz ZYPZFHHGMDZSBM-QGZVFWFLSA-N 1 3 346.471 2.631 20 0 EFADHO COc1ccc(C2([NH3+])CCN([C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC001169926805 1273265307 /nfs/dbraw/zinc/26/53/07/1273265307.db2.gz HOYGHFZOPVPJOA-QGZVFWFLSA-N 1 3 346.471 2.631 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCc3ccccc32)CCC1 ZINC001034956600 1273268690 /nfs/dbraw/zinc/26/86/90/1273268690.db2.gz BPJJTDZYCZXODD-MJGOQNOKSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001034957726 1273271482 /nfs/dbraw/zinc/27/14/82/1273271482.db2.gz GUBCWWXGMRJMCD-HXUWFJFHSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1F ZINC001034958011 1273273836 /nfs/dbraw/zinc/27/38/36/1273273836.db2.gz UILWKFJNZFCKTB-DOTOQJQBSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001034958648 1273274454 /nfs/dbraw/zinc/27/44/54/1273274454.db2.gz LTGAYZCSEHTXFN-UYAOXDASSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001034958624 1273274968 /nfs/dbraw/zinc/27/49/68/1273274968.db2.gz KYGXAHTUTKKORT-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1C ZINC001034959563 1273276077 /nfs/dbraw/zinc/27/60/77/1273276077.db2.gz CEJUFJSYCVTZLG-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1C)N(C)C ZINC001034971198 1273287474 /nfs/dbraw/zinc/28/74/74/1273287474.db2.gz FOTFMTNOAWPCIT-ZHALLVOQSA-N 1 3 331.504 2.977 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](CC)N(C)C)c1 ZINC001034975298 1273297653 /nfs/dbraw/zinc/29/76/53/1273297653.db2.gz QDNIBWPWBPIDIL-RTBURBONSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C)N(C)C ZINC001034975179 1273298434 /nfs/dbraw/zinc/29/84/34/1273298434.db2.gz OIJPXRDGUCKSJQ-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001034975809 1273299477 /nfs/dbraw/zinc/29/94/77/1273299477.db2.gz XFHCOPHCZNMYJV-SJLPKXTDSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC001034960605 1273311758 /nfs/dbraw/zinc/31/17/58/1273311758.db2.gz NAPZHGIPYVAGBE-MOPGFXCFSA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001034961453 1273315004 /nfs/dbraw/zinc/31/50/04/1273315004.db2.gz SJIIIJHZUHTRSV-QZTJIDSGSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001034965084 1273319499 /nfs/dbraw/zinc/31/94/99/1273319499.db2.gz CQTGIRIRRQUGND-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]CC2CCC(C(F)(F)F)CC2)CCC1 ZINC001129356145 1273368715 /nfs/dbraw/zinc/36/87/15/1273368715.db2.gz CBHVVWVJULZHLU-UHFFFAOYSA-N 1 3 349.441 2.545 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001035063514 1273451739 /nfs/dbraw/zinc/45/17/39/1273451739.db2.gz XOPNXEYKNIPYNA-CRAIPNDOSA-N 1 3 326.444 2.602 20 0 EFADHO CCC/C=C\CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108768583 1273456182 /nfs/dbraw/zinc/45/61/82/1273456182.db2.gz CAPTWDXZXYTVQL-BYFNMEEJSA-N 1 3 330.476 2.668 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1F ZINC001035047756 1273463467 /nfs/dbraw/zinc/46/34/67/1273463467.db2.gz GUFKPMQMPFNLTI-CRAIPNDOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001035047724 1273463548 /nfs/dbraw/zinc/46/35/48/1273463548.db2.gz GDTIJVNCNZHXJJ-YLJYHZDGSA-N 1 3 343.515 2.726 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001035047723 1273463583 /nfs/dbraw/zinc/46/35/83/1273463583.db2.gz JTWGUJXOHYHRGV-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1C ZINC001035051149 1273469916 /nfs/dbraw/zinc/46/99/16/1273469916.db2.gz KKCUBILIYLMYCK-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H]2C)c1 ZINC001035051181 1273470039 /nfs/dbraw/zinc/47/00/39/1273470039.db2.gz KWDISFKFUFXMGZ-FUHWJXTLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC001035051181 1273470043 /nfs/dbraw/zinc/47/00/43/1273470043.db2.gz KWDISFKFUFXMGZ-FUHWJXTLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001035052498 1273470572 /nfs/dbraw/zinc/47/05/72/1273470572.db2.gz YRSYQPMFGLCSBN-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1)N(C)C ZINC001035052586 1273470736 /nfs/dbraw/zinc/47/07/36/1273470736.db2.gz QLMGUDBXEWCWMS-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](CC)N(C)C)c1 ZINC001035052582 1273470828 /nfs/dbraw/zinc/47/08/28/1273470828.db2.gz QDNIBWPWBPIDIL-MOPGFXCFSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001035052398 1273470856 /nfs/dbraw/zinc/47/08/56/1273470856.db2.gz MRUWIYBPCBGZQK-NEWSRXKRSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cs1 ZINC001035052713 1273471255 /nfs/dbraw/zinc/47/12/55/1273471255.db2.gz ZLQZBLJNNABTRN-WMLDXEAASA-N 1 3 335.517 2.621 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001035052730 1273471284 /nfs/dbraw/zinc/47/12/84/1273471284.db2.gz ZRKPGRBFDXPGKQ-MAUKXSAKSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001035052399 1273471387 /nfs/dbraw/zinc/47/13/87/1273471387.db2.gz MRUWIYBPCBGZQK-QRQLOZEOSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001035054574 1273472519 /nfs/dbraw/zinc/47/25/19/1273472519.db2.gz FPUKUYVYUURUNO-RKVPGOIHSA-N 1 3 335.467 2.808 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]CCc2ccc3ccccc3c2)CCC1 ZINC001129364074 1273486205 /nfs/dbraw/zinc/48/62/05/1273486205.db2.gz OOCLKOWJQIZART-UHFFFAOYSA-N 1 3 339.483 2.572 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035101680 1273515861 /nfs/dbraw/zinc/51/58/61/1273515861.db2.gz AOSXGAXKDXQQBF-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035101680 1273515873 /nfs/dbraw/zinc/51/58/73/1273515873.db2.gz AOSXGAXKDXQQBF-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)c1 ZINC001108831227 1273522869 /nfs/dbraw/zinc/52/28/69/1273522869.db2.gz AYIZBHVJGKQDSK-UFYCRDLUSA-N 1 3 343.515 2.804 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)c1 ZINC001035132321 1273601995 /nfs/dbraw/zinc/60/19/95/1273601995.db2.gz DLOXJMTZKYUVLE-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001035134021 1273606264 /nfs/dbraw/zinc/60/62/64/1273606264.db2.gz QYSGNEBJMIVSTF-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086530406 1273740416 /nfs/dbraw/zinc/74/04/16/1273740416.db2.gz WZDPEJXCFAFRBD-GUDVDZBRSA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccsc3)C2)CC1)N(C)C ZINC001035196852 1273760441 /nfs/dbraw/zinc/76/04/41/1273760441.db2.gz DWKHOUPZOFYAMS-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1)N(C)C ZINC001035196852 1273760447 /nfs/dbraw/zinc/76/04/47/1273760447.db2.gz DWKHOUPZOFYAMS-QGZVFWFLSA-N 1 3 349.544 2.903 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)C2(N(C)C)CCC2)CC3)C1 ZINC001035193439 1273812797 /nfs/dbraw/zinc/81/27/97/1273812797.db2.gz CPLLAPFWPZRYQL-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)C2(N(C)C)CCC2)CC3)C1 ZINC001035193439 1273812802 /nfs/dbraw/zinc/81/28/02/1273812802.db2.gz CPLLAPFWPZRYQL-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)C1CC1 ZINC001035193388 1273813209 /nfs/dbraw/zinc/81/32/09/1273813209.db2.gz AKVDJAULQQJGDQ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)C1CC1 ZINC001035193388 1273813215 /nfs/dbraw/zinc/81/32/15/1273813215.db2.gz AKVDJAULQQJGDQ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227773 1273848750 /nfs/dbraw/zinc/84/87/50/1273848750.db2.gz YCDHVHXZHGYCAC-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001035227773 1273848761 /nfs/dbraw/zinc/84/87/61/1273848761.db2.gz YCDHVHXZHGYCAC-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035234364 1273888895 /nfs/dbraw/zinc/88/88/95/1273888895.db2.gz ZDKHBJKJQCSJRF-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035234364 1273888907 /nfs/dbraw/zinc/88/89/07/1273888907.db2.gz ZDKHBJKJQCSJRF-KRWDZBQOSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035234365 1273889773 /nfs/dbraw/zinc/88/97/73/1273889773.db2.gz ZDKHBJKJQCSJRF-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCN(CCF)C2)CC1 ZINC001035234365 1273889785 /nfs/dbraw/zinc/88/97/85/1273889785.db2.gz ZDKHBJKJQCSJRF-QGZVFWFLSA-N 1 3 339.499 2.533 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N2CCC3(CCN(CCF)C3)CC2)cc1 ZINC001035239645 1273906744 /nfs/dbraw/zinc/90/67/44/1273906744.db2.gz LFEAMMUQANVIBB-UHFFFAOYSA-N 1 3 347.478 2.646 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001035231205 1273937520 /nfs/dbraw/zinc/93/75/20/1273937520.db2.gz JWKIVYUGZKZYLK-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001035231205 1273937527 /nfs/dbraw/zinc/93/75/27/1273937527.db2.gz JWKIVYUGZKZYLK-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3CC3)C2)CC1 ZINC001035260518 1273954568 /nfs/dbraw/zinc/95/45/68/1273954568.db2.gz XXMOBIZZVWLPET-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035260518 1273954576 /nfs/dbraw/zinc/95/45/76/1273954576.db2.gz XXMOBIZZVWLPET-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035260034 1273956182 /nfs/dbraw/zinc/95/61/82/1273956182.db2.gz NOPWVWUBJLBBGT-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CC(C)C)C2)CC1 ZINC001035260034 1273956188 /nfs/dbraw/zinc/95/61/88/1273956188.db2.gz NOPWVWUBJLBBGT-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086530492 1273982705 /nfs/dbraw/zinc/98/27/05/1273982705.db2.gz BOKLPFOVXXMBSN-GUDVDZBRSA-N 1 3 335.536 2.926 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371780 1274200921 /nfs/dbraw/zinc/20/09/21/1274200921.db2.gz UPSCBVULYXLTQY-KNGMWNTESA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371780 1274200927 /nfs/dbraw/zinc/20/09/27/1274200927.db2.gz UPSCBVULYXLTQY-KNGMWNTESA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)N(C)C ZINC001109426994 1274263521 /nfs/dbraw/zinc/26/35/21/1274263521.db2.gz JFXKGNDWWANRKL-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)N(C)C ZINC001109426994 1274263525 /nfs/dbraw/zinc/26/35/25/1274263525.db2.gz JFXKGNDWWANRKL-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC3CCCCCC3)C2)CC1 ZINC001035669525 1274367971 /nfs/dbraw/zinc/36/79/71/1274367971.db2.gz SDVJJRTULAPKSV-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@@H+]3C1)CC2 ZINC001035705960 1274383763 /nfs/dbraw/zinc/38/37/63/1274383763.db2.gz IHWAKCRTONYPCN-OALUTQOASA-N 1 3 345.531 2.751 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705960 1274383771 /nfs/dbraw/zinc/38/37/71/1274383771.db2.gz IHWAKCRTONYPCN-OALUTQOASA-N 1 3 345.531 2.751 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)C1CCC1 ZINC001035721980 1274408587 /nfs/dbraw/zinc/40/85/87/1274408587.db2.gz IPLBGVGUVWMLTE-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035726927 1274415039 /nfs/dbraw/zinc/41/50/39/1274415039.db2.gz ILFNZYWHWHIXMJ-SFHVURJKSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1)N(C)C ZINC001035732147 1274421054 /nfs/dbraw/zinc/42/10/54/1274421054.db2.gz UKKAPEZUDPLBNC-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555295 1274424416 /nfs/dbraw/zinc/42/44/16/1274424416.db2.gz KPYSVQJBQMSFSX-DMIOOYAPSA-N 1 3 345.531 2.939 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N1CCCC1)C2 ZINC001109555295 1274424421 /nfs/dbraw/zinc/42/44/21/1274424421.db2.gz KPYSVQJBQMSFSX-DMIOOYAPSA-N 1 3 345.531 2.939 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590208 1274453316 /nfs/dbraw/zinc/45/33/16/1274453316.db2.gz XYVKUAJWIBNFPM-OYGDTKMKSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N1CCCC1)C2 ZINC001109590208 1274453321 /nfs/dbraw/zinc/45/33/21/1274453321.db2.gz XYVKUAJWIBNFPM-OYGDTKMKSA-N 1 3 333.520 2.939 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN1CCC[C@@H]1C)CC2 ZINC001035798501 1274495411 /nfs/dbraw/zinc/49/54/11/1274495411.db2.gz NWGMOTLYHXOCTI-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4CCCCC4)C3)CC2)C1 ZINC001035798446 1274495609 /nfs/dbraw/zinc/49/56/09/1274495609.db2.gz NGVSLDGMHMIORP-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651354 1274517457 /nfs/dbraw/zinc/51/74/57/1274517457.db2.gz WNVSWDBOQDIWGH-NQYYFHDYSA-N 1 3 341.499 2.811 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(CF)cc1 ZINC001109652750 1274521790 /nfs/dbraw/zinc/52/17/90/1274521790.db2.gz HBADUTNKDAFJKP-QYZOEREBSA-N 1 3 347.478 2.719 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@@H+]31)CC2 ZINC001035814563 1274548942 /nfs/dbraw/zinc/54/89/42/1274548942.db2.gz OSONIYDJFYXRAN-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035814563 1274548948 /nfs/dbraw/zinc/54/89/48/1274548948.db2.gz OSONIYDJFYXRAN-MOPGFXCFSA-N 1 3 345.531 2.894 20 0 EFADHO Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)cc1 ZINC001035850714 1274557607 /nfs/dbraw/zinc/55/76/07/1274557607.db2.gz BXIZKGZALWDOQG-UHFFFAOYSA-N 1 3 341.499 2.515 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001035851578 1274558827 /nfs/dbraw/zinc/55/88/27/1274558827.db2.gz RWPWASYLAMNKHM-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1 ZINC001035851760 1274558900 /nfs/dbraw/zinc/55/89/00/1274558900.db2.gz WGKLUDCPHCMVAI-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CC1CCC(C[NH+]2CC3(C2)CCN(C(=O)CN2CCCC2)CC3)CC1 ZINC001035851752 1274559162 /nfs/dbraw/zinc/55/91/62/1274559162.db2.gz WBXJPLKHBFFSBN-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001035858619 1274609808 /nfs/dbraw/zinc/60/98/08/1274609808.db2.gz WTTWJSJYHAKIBA-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001035859169 1274614177 /nfs/dbraw/zinc/61/41/77/1274614177.db2.gz ROAKODIOVHSRJR-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO CC[C@H]1C[C@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CCO1 ZINC001170216656 1278892035 /nfs/dbraw/zinc/89/20/35/1278892035.db2.gz IIMKDMZUNVVSPR-MOPGFXCFSA-N 1 3 346.519 2.808 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC001036052608 1274976135 /nfs/dbraw/zinc/97/61/35/1274976135.db2.gz BJFLAULKCZBVSE-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001036055951 1274983156 /nfs/dbraw/zinc/98/31/56/1274983156.db2.gz RVAUGASZSNISAT-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110015087 1274988644 /nfs/dbraw/zinc/98/86/44/1274988644.db2.gz XXWLTHNOGLFTMX-QYZOEREBSA-N 1 3 329.488 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110015087 1274988653 /nfs/dbraw/zinc/98/86/53/1274988653.db2.gz XXWLTHNOGLFTMX-QYZOEREBSA-N 1 3 329.488 2.640 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112568092 1275221270 /nfs/dbraw/zinc/22/12/70/1275221270.db2.gz XTDOOTJHZKOHPW-GGVAOPBYSA-N 1 3 335.536 2.903 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001036203666 1275221735 /nfs/dbraw/zinc/22/17/35/1275221735.db2.gz HFDBCNNHCRIRRE-HNAYVOBHSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001036204880 1275222519 /nfs/dbraw/zinc/22/25/19/1275222519.db2.gz LLFSDICMFDIMJP-MAUKXSAKSA-N 1 3 330.476 2.669 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036206184 1275224588 /nfs/dbraw/zinc/22/45/88/1275224588.db2.gz PNZNUCLCDJGECS-KXBFYZLASA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001036208129 1275228964 /nfs/dbraw/zinc/22/89/64/1275228964.db2.gz VTHMDTGQOTVTDG-DYVFJYSZSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC001036209338 1275229299 /nfs/dbraw/zinc/22/92/99/1275229299.db2.gz XYYJEIQBOHMREH-DNVCBOLYSA-N 1 3 340.471 2.541 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036191930 1275249535 /nfs/dbraw/zinc/24/95/35/1275249535.db2.gz FYTJPLZKNVWKLA-VQIMIIECSA-N 1 3 340.471 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCNCc1ccc(Cl)cc1Cl ZINC001170223839 1278934456 /nfs/dbraw/zinc/93/44/56/1278934456.db2.gz WDXHVZNTXXMOBH-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCNCc1ccc(Cl)cc1Cl ZINC001170223839 1278934465 /nfs/dbraw/zinc/93/44/65/1278934465.db2.gz WDXHVZNTXXMOBH-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001036302404 1275384603 /nfs/dbraw/zinc/38/46/03/1275384603.db2.gz JCAQZIUDTKVZSF-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CCC1 ZINC001036303957 1275387211 /nfs/dbraw/zinc/38/72/11/1275387211.db2.gz NTETZEIANLAAJD-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786783251 1275527405 /nfs/dbraw/zinc/52/74/05/1275527405.db2.gz LTLYJKYYTKAVAS-MRXNPFEDSA-N 1 3 330.476 2.743 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786796599 1275542464 /nfs/dbraw/zinc/54/24/64/1275542464.db2.gz OMFWBAPSUXKGMN-DLBZAZTESA-N 1 3 344.503 2.989 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036419445 1275569702 /nfs/dbraw/zinc/56/97/02/1275569702.db2.gz WLIJHTWTQMEJRW-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cs1 ZINC001036449187 1275610574 /nfs/dbraw/zinc/61/05/74/1275610574.db2.gz FAWJGVFOEYKJJQ-GDBMZVCRSA-N 1 3 346.500 2.739 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036473921 1275720732 /nfs/dbraw/zinc/72/07/32/1275720732.db2.gz MOJCDMXRHCEZEI-SJLPKXTDSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001036450929 1275733147 /nfs/dbraw/zinc/73/31/47/1275733147.db2.gz QFRFYQWWCYEWFC-SJLPKXTDSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001036450930 1275733746 /nfs/dbraw/zinc/73/37/46/1275733746.db2.gz QFRFYQWWCYEWFC-WMZOPIPTSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001086551938 1275737436 /nfs/dbraw/zinc/73/74/36/1275737436.db2.gz QKTZGDJNZJOEET-XIRDDKMYSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001086551938 1275737437 /nfs/dbraw/zinc/73/74/37/1275737437.db2.gz QKTZGDJNZJOEET-XIRDDKMYSA-N 1 3 349.906 2.585 20 0 EFADHO COc1cccc([C@@H](C)N2CCN(CC3CC[NH+](C)CC3)CC2)c1 ZINC000788482720 1276209481 /nfs/dbraw/zinc/20/94/81/1276209481.db2.gz MODQXVBUJPOSCC-QGZVFWFLSA-N 1 3 331.504 2.716 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135976165 1276274939 /nfs/dbraw/zinc/27/49/39/1276274939.db2.gz HFZAWUXWGWWNFZ-SJORKVTESA-N 1 3 349.519 2.548 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001135976507 1276274992 /nfs/dbraw/zinc/27/49/92/1276274992.db2.gz KNEZBOQWFXNXES-HOTGVXAUSA-N 1 3 337.483 2.871 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135991352 1276280464 /nfs/dbraw/zinc/28/04/64/1276280464.db2.gz CFRXZRQAEATTJF-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001135991352 1276280467 /nfs/dbraw/zinc/28/04/67/1276280467.db2.gz CFRXZRQAEATTJF-KBPBESRZSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)NCCCN[C@H](C)c1cnccn1 ZINC001170877477 1276308837 /nfs/dbraw/zinc/30/88/37/1276308837.db2.gz VSPOQGZCTPVQID-QGZVFWFLSA-N 1 3 349.523 2.536 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031132 1276339790 /nfs/dbraw/zinc/33/97/90/1276339790.db2.gz GEONYFFVIIXFNA-HUUCEWRRSA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001136031333 1276340039 /nfs/dbraw/zinc/34/00/39/1276340039.db2.gz IXLCPIJXWWWEME-JKSUJKDBSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC001136031573 1276340588 /nfs/dbraw/zinc/34/05/88/1276340588.db2.gz MVUBTGCVRBRSLG-ZIAGYGMSSA-N 1 3 346.450 2.515 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001136031373 1276340697 /nfs/dbraw/zinc/34/06/97/1276340697.db2.gz JMVWQXQAHCAVLO-XKQHDHNFSA-N 1 3 340.471 2.847 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001136031974 1276340965 /nfs/dbraw/zinc/34/09/65/1276340965.db2.gz UKANQCNKZLXVQS-CABCVRRESA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC001136032052 1276341060 /nfs/dbraw/zinc/34/10/60/1276341060.db2.gz VGOFFGCTSVQRPH-HUUCEWRRSA-N 1 3 328.460 2.642 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)c1 ZINC001136031976 1276341322 /nfs/dbraw/zinc/34/13/22/1276341322.db2.gz UKANQCNKZLXVQS-HUUCEWRRSA-N 1 3 342.487 2.896 20 0 EFADHO CNCc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncn1 ZINC001170331075 1279021043 /nfs/dbraw/zinc/02/10/43/1279021043.db2.gz KNRIFYGYXNTYKC-LUPIEILUSA-N 1 3 337.471 2.804 20 0 EFADHO CNCc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ncn1 ZINC001170331075 1279021052 /nfs/dbraw/zinc/02/10/52/1279021052.db2.gz KNRIFYGYXNTYKC-LUPIEILUSA-N 1 3 337.471 2.804 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112963947 1276348015 /nfs/dbraw/zinc/34/80/15/1276348015.db2.gz GEDOENHFXLHTIU-OALUTQOASA-N 1 3 337.552 2.791 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963947 1276348023 /nfs/dbraw/zinc/34/80/23/1276348023.db2.gz GEDOENHFXLHTIU-OALUTQOASA-N 1 3 337.552 2.791 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112963949 1276348324 /nfs/dbraw/zinc/34/83/24/1276348324.db2.gz GEDOENHFXLHTIU-RTBURBONSA-N 1 3 337.552 2.791 20 0 EFADHO CC(C)C[C@@H](C)CN1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963949 1276348329 /nfs/dbraw/zinc/34/83/29/1276348329.db2.gz GEDOENHFXLHTIU-RTBURBONSA-N 1 3 337.552 2.791 20 0 EFADHO Cc1ccc(N2CCC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000817897748 1276364958 /nfs/dbraw/zinc/36/49/58/1276364958.db2.gz WSHSJIJCCDTTGL-FYZZASKESA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924164 1276379066 /nfs/dbraw/zinc/37/90/66/1276379066.db2.gz FJOVEHITDLIXSQ-JWOSDPRPSA-N 1 3 340.467 2.729 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1Br ZINC000817935934 1276383163 /nfs/dbraw/zinc/38/31/63/1276383163.db2.gz PZJSWKUKUICZNE-KFWWJZLASA-N 1 3 327.266 2.732 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc(Br)cs1 ZINC000817987767 1276426645 /nfs/dbraw/zinc/42/66/45/1276426645.db2.gz WVOONMNMWRHHMV-UKKRHICBSA-N 1 3 330.295 2.944 20 0 EFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000818945664 1276554900 /nfs/dbraw/zinc/55/49/00/1276554900.db2.gz NOWFULDEDYDJGB-MRXNPFEDSA-N 1 3 339.277 2.699 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[NH+]1CCCCCC1 ZINC000819059558 1276586906 /nfs/dbraw/zinc/58/69/06/1276586906.db2.gz JZGUDOUSCVXCDO-UHFFFAOYSA-N 1 3 333.476 2.562 20 0 EFADHO Cc1csc(CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001174962618 1287270823 /nfs/dbraw/zinc/27/08/23/1287270823.db2.gz VXJKLIFCSFUSOE-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CN(C)C(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820811699 1277317364 /nfs/dbraw/zinc/31/73/64/1277317364.db2.gz UPXUGTXGGAEEGH-CTXDPNEZSA-N 1 3 341.499 2.678 20 0 EFADHO CN(C)C(=O)c1cccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820811699 1277317372 /nfs/dbraw/zinc/31/73/72/1277317372.db2.gz UPXUGTXGGAEEGH-CTXDPNEZSA-N 1 3 341.499 2.678 20 0 EFADHO C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000820813835 1277319303 /nfs/dbraw/zinc/31/93/03/1277319303.db2.gz CIEFQSDSZRRWNW-WFASDCNBSA-N 1 3 343.393 2.562 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001005991545 1277321340 /nfs/dbraw/zinc/32/13/40/1277321340.db2.gz OPFKAEKYEYLEKZ-OAHLLOKOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001005991545 1277321350 /nfs/dbraw/zinc/32/13/50/1277321350.db2.gz OPFKAEKYEYLEKZ-OAHLLOKOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001005993195 1277329211 /nfs/dbraw/zinc/32/92/11/1277329211.db2.gz ZZRFKDLTUSEXQK-QGZVFWFLSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001005990908 1277339187 /nfs/dbraw/zinc/33/91/87/1277339187.db2.gz JGYYFFCGBDDRLR-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005994741 1277347880 /nfs/dbraw/zinc/34/78/80/1277347880.db2.gz HZLYGMWBZNXFMP-QGZVFWFLSA-N 1 3 333.520 2.894 20 0 EFADHO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000923262444 1277393671 /nfs/dbraw/zinc/39/36/71/1277393671.db2.gz PSGQABJFWOLRDR-VQTJNVASSA-N 1 3 341.499 2.981 20 0 EFADHO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(CN2CCCCC2)c1 ZINC000923262444 1277393680 /nfs/dbraw/zinc/39/36/80/1277393680.db2.gz PSGQABJFWOLRDR-VQTJNVASSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005999171 1277403049 /nfs/dbraw/zinc/40/30/49/1277403049.db2.gz ZPXCLTJNXDUQEK-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000923266749 1277418178 /nfs/dbraw/zinc/41/81/78/1277418178.db2.gz RFJGSNLPCGANHY-XUVXKRRUSA-N 1 3 341.499 2.561 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000923269562 1277431510 /nfs/dbraw/zinc/43/15/10/1277431510.db2.gz OQNWSTOFQBSSPM-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@@](C[NH3+])(NC[C@@H](O)Cn1c2ccccc2c2ccccc21)C1CC1 ZINC000923296192 1277524577 /nfs/dbraw/zinc/52/45/77/1277524577.db2.gz OQAMHVNNHKYLTA-IERDGZPVSA-N 1 3 337.467 2.872 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN[C@@](C)(C[NH3+])C(C)C ZINC000923296225 1277525233 /nfs/dbraw/zinc/52/52/33/1277525233.db2.gz PRCFKSAZLIJQST-PXNSSMCTSA-N 1 3 336.520 2.995 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086587390 1277553181 /nfs/dbraw/zinc/55/31/81/1277553181.db2.gz RRIQPXAIDMARHU-XUVXKRRUSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086587390 1277553187 /nfs/dbraw/zinc/55/31/87/1277553187.db2.gz RRIQPXAIDMARHU-XUVXKRRUSA-N 1 3 343.515 2.852 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596780 1278010128 /nfs/dbraw/zinc/01/01/28/1278010128.db2.gz SKFQZBFCKHKGLF-ZCNNSNEGSA-N 1 3 343.515 2.711 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086596780 1278010134 /nfs/dbraw/zinc/01/01/34/1278010134.db2.gz SKFQZBFCKHKGLF-ZCNNSNEGSA-N 1 3 343.515 2.711 20 0 EFADHO Clc1ccc2c(c1)CC[C@@H](N1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171133272 1279079230 /nfs/dbraw/zinc/07/92/30/1279079230.db2.gz GJEONIVQEXHRFM-HXUWFJFHSA-N 1 3 347.934 2.911 20 0 EFADHO CN1CC[NH+](C2CCN(Cc3ccc(-n4cccc4)cc3)CC2)CC1 ZINC001144246681 1279311736 /nfs/dbraw/zinc/31/17/36/1279311736.db2.gz FLZFOHUCWYHJOZ-UHFFFAOYSA-N 1 3 338.499 2.689 20 0 EFADHO Oc1ccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001144259849 1279321212 /nfs/dbraw/zinc/32/12/12/1279321212.db2.gz WNBXAZIRQSSTCW-UHFFFAOYSA-N 1 3 338.455 2.670 20 0 EFADHO Oc1ccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC001144259849 1279321221 /nfs/dbraw/zinc/32/12/21/1279321221.db2.gz WNBXAZIRQSSTCW-UHFFFAOYSA-N 1 3 338.455 2.670 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001091027156 1279352924 /nfs/dbraw/zinc/35/29/24/1279352924.db2.gz ZBNWTVVNRNTFGG-LEOMRAHMSA-N 1 3 349.544 2.648 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1 ZINC001091059311 1279484811 /nfs/dbraw/zinc/48/48/11/1279484811.db2.gz MGWOERCJLMMXIV-ACBHZAAOSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091059819 1279485069 /nfs/dbraw/zinc/48/50/69/1279485069.db2.gz ZVIKWDFCVVUEIO-VMWRSERWSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001114488361 1287368247 /nfs/dbraw/zinc/36/82/47/1287368247.db2.gz LLYLZSSSUBBZDH-PIIMJCKOSA-N 1 3 349.563 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001114488361 1287368253 /nfs/dbraw/zinc/36/82/53/1287368253.db2.gz LLYLZSSSUBBZDH-PIIMJCKOSA-N 1 3 349.563 2.980 20 0 EFADHO C[C@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175297792 1287378260 /nfs/dbraw/zinc/37/82/60/1287378260.db2.gz WXDOBNLXCISWEO-HOTGVXAUSA-N 1 3 331.520 2.977 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC[C@@H]1C ZINC001175256620 1287381292 /nfs/dbraw/zinc/38/12/92/1287381292.db2.gz NBQVDOWQUYOBMZ-GJZGRUSLSA-N 1 3 345.478 2.781 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175257167 1287381319 /nfs/dbraw/zinc/38/13/19/1287381319.db2.gz VYWQMQRIOFOKDP-DLBZAZTESA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175257064 1287381616 /nfs/dbraw/zinc/38/16/16/1287381616.db2.gz TVAZVFIXHSEIIL-ZWKOTPCHSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccn1)NC(=O)CN1CCC(C)(C)C1 ZINC001175272646 1287387174 /nfs/dbraw/zinc/38/71/74/1287387174.db2.gz KSRDQZYLNHMSFB-KRWDZBQOSA-N 1 3 346.519 2.578 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3CCC[C@H](C)[C@@H]3CC[NH3+])ccc12 ZINC000846227043 1280075226 /nfs/dbraw/zinc/07/52/26/1280075226.db2.gz YVFZVJZADNZDHO-KSSFIOAISA-N 1 3 344.455 2.930 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001175314925 1287398300 /nfs/dbraw/zinc/39/83/00/1287398300.db2.gz CPGZNIDEMFCARR-OLZOCXBDSA-N 1 3 325.419 2.544 20 0 EFADHO C[NH+]1CCC(C(=O)NCC2CC(NCc3ccccc3Cl)C2)CC1 ZINC001091213408 1280118915 /nfs/dbraw/zinc/11/89/15/1280118915.db2.gz LWAAOCOSEQATOJ-UHFFFAOYSA-N 1 3 349.906 2.666 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001114286919 1280127992 /nfs/dbraw/zinc/12/79/92/1280127992.db2.gz BALDWFFSDBPUKK-RBRTUEFUSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001114286919 1280127997 /nfs/dbraw/zinc/12/79/97/1280127997.db2.gz BALDWFFSDBPUKK-RBRTUEFUSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001175318384 1287401195 /nfs/dbraw/zinc/40/11/95/1287401195.db2.gz ZMBFINWEQLLSOB-LPHOPBHVSA-N 1 3 349.519 2.800 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129417145 1280182589 /nfs/dbraw/zinc/18/25/89/1280182589.db2.gz LRHMFMUQCNYTSE-SFHVURJKSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129417145 1280182592 /nfs/dbraw/zinc/18/25/92/1280182592.db2.gz LRHMFMUQCNYTSE-SFHVURJKSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc2ccccc2c1 ZINC001129454975 1280195228 /nfs/dbraw/zinc/19/52/28/1280195228.db2.gz QNRMGGAZMHNADO-MGPUTAFESA-N 1 3 339.483 2.947 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001129531751 1280234275 /nfs/dbraw/zinc/23/42/75/1280234275.db2.gz ISQMJVGVDNAUKK-QGZVFWFLSA-N 1 3 335.879 2.517 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1cccc2ccccc21)C1CCC1 ZINC001129531644 1280234644 /nfs/dbraw/zinc/23/46/44/1280234644.db2.gz CXXJQCDENPVOTB-UHFFFAOYSA-N 1 3 325.456 2.530 20 0 EFADHO C[C@@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001171235108 1280279606 /nfs/dbraw/zinc/27/96/06/1280279606.db2.gz DZELFKUGMSKPQL-AWEZNQCLSA-N 1 3 345.478 2.781 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171234977 1280309367 /nfs/dbraw/zinc/30/93/67/1280309367.db2.gz AVFNGADZCPZCKW-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001129849760 1280355587 /nfs/dbraw/zinc/35/55/87/1280355587.db2.gz TXYYAYFBRVUYLG-INIZCTEOSA-N 1 3 329.444 2.513 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001129849760 1280355591 /nfs/dbraw/zinc/35/55/91/1280355591.db2.gz TXYYAYFBRVUYLG-INIZCTEOSA-N 1 3 329.444 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001129947403 1280381931 /nfs/dbraw/zinc/38/19/31/1280381931.db2.gz YHHBWRTZQGMGSW-CJNGLKHVSA-N 1 3 325.884 2.693 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186489 1280554424 /nfs/dbraw/zinc/55/44/24/1280554424.db2.gz HNQKTEJPTBSCRM-FUHWJXTLSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1cc2ccccc2o1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130186489 1280554429 /nfs/dbraw/zinc/55/44/29/1280554429.db2.gz HNQKTEJPTBSCRM-FUHWJXTLSA-N 1 3 341.455 2.656 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186535 1280554472 /nfs/dbraw/zinc/55/44/72/1280554472.db2.gz IDVFECRFPMNYJP-JSGCOSHPSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130186535 1280554475 /nfs/dbraw/zinc/55/44/75/1280554475.db2.gz IDVFECRFPMNYJP-JSGCOSHPSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186536 1280554946 /nfs/dbraw/zinc/55/49/46/1280554946.db2.gz IDVFECRFPMNYJP-OCCSQVGLSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130186536 1280554954 /nfs/dbraw/zinc/55/49/54/1280554954.db2.gz IDVFECRFPMNYJP-OCCSQVGLSA-N 1 3 341.908 2.624 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]CCc1cc(Cl)ccc1Cl)N(C)C ZINC001130203427 1280572661 /nfs/dbraw/zinc/57/26/61/1280572661.db2.gz LHWZGHJYSNGTNK-OAHLLOKOSA-N 1 3 346.302 2.582 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC2(Br)CC2)[C@@H](C)C1 ZINC000846857402 1280578432 /nfs/dbraw/zinc/57/84/32/1280578432.db2.gz IWLURUVUUMJKEI-UONOGXRCSA-N 1 3 333.314 2.641 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC2(Br)CC2)[C@@H](C)C1 ZINC000846857402 1280578445 /nfs/dbraw/zinc/57/84/45/1280578445.db2.gz IWLURUVUUMJKEI-UONOGXRCSA-N 1 3 333.314 2.641 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001130200118 1280583754 /nfs/dbraw/zinc/58/37/54/1280583754.db2.gz DLMHQUAAXHWTJJ-IAQYHMDHSA-N 1 3 329.847 2.586 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21)N(C)C ZINC001130201018 1280584818 /nfs/dbraw/zinc/58/48/18/1280584818.db2.gz SNCWXBMCEUUSPH-DNVCBOLYSA-N 1 3 327.472 2.947 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C)[C@@H](C1CCC1)C(F)(F)F ZINC001160774056 1280625227 /nfs/dbraw/zinc/62/52/27/1280625227.db2.gz PACXECQXUCWBAD-KBPBESRZSA-N 1 3 337.430 2.671 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176286790 1287924541 /nfs/dbraw/zinc/92/45/41/1287924541.db2.gz XVFQMIJQPZPARN-CQSZACIVSA-N 1 3 333.467 2.638 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001130425278 1280857116 /nfs/dbraw/zinc/85/71/16/1280857116.db2.gz RHTFCVFWFIAABY-MRXNPFEDSA-N 1 3 337.895 2.763 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001130424851 1280857881 /nfs/dbraw/zinc/85/78/81/1280857881.db2.gz DEBHAQJOKSWTOW-ZDUSSCGKSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001146590876 1280945128 /nfs/dbraw/zinc/94/51/28/1280945128.db2.gz CQKSZAMGNGFDTM-HOTGVXAUSA-N 1 3 339.549 2.894 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001146592670 1280945164 /nfs/dbraw/zinc/94/51/64/1280945164.db2.gz KHFSZNVGBALDHP-KGLIPLIRSA-N 1 3 339.446 2.932 20 0 EFADHO COCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146592296 1280945438 /nfs/dbraw/zinc/94/54/38/1280945438.db2.gz JAMWCCASWAPLTG-IAGOWNOFSA-N 1 3 349.519 2.546 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146592282 1280945668 /nfs/dbraw/zinc/94/56/68/1280945668.db2.gz IWCPOUSAQJDZNT-JKSUJKDBSA-N 1 3 337.483 2.847 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146595417 1280947392 /nfs/dbraw/zinc/94/73/92/1280947392.db2.gz ZAJNPMBTAGDWMZ-IAGOWNOFSA-N 1 3 333.520 2.962 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001146595420 1280947619 /nfs/dbraw/zinc/94/76/19/1280947619.db2.gz ZBUXEIKGWWADGA-KBPBESRZSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001146595087 1280947643 /nfs/dbraw/zinc/94/76/43/1280947643.db2.gz WVKKKQKPFANLRW-VXGBXAGGSA-N 1 3 346.928 2.510 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1F ZINC001146600904 1280949600 /nfs/dbraw/zinc/94/96/00/1280949600.db2.gz JGIKMCPBKABGNO-JKSUJKDBSA-N 1 3 337.483 2.847 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724247 1281246154 /nfs/dbraw/zinc/24/61/54/1281246154.db2.gz ILNPLUFMHSTWAE-SJLPKXTDSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724247 1281246160 /nfs/dbraw/zinc/24/61/60/1281246160.db2.gz ILNPLUFMHSTWAE-SJLPKXTDSA-N 1 3 335.536 2.543 20 0 EFADHO CCC/C=C\CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749226 1281264985 /nfs/dbraw/zinc/26/49/85/1281264985.db2.gz VLESNBUOZCBSGT-GIFJBRJJSA-N 1 3 335.536 2.853 20 0 EFADHO CCC/C=C\CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)N(C)C)C2)C1 ZINC001147749226 1281264995 /nfs/dbraw/zinc/26/49/95/1281264995.db2.gz VLESNBUOZCBSGT-GIFJBRJJSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001147809414 1281272961 /nfs/dbraw/zinc/27/29/61/1281272961.db2.gz FZAABRPVOCYJFM-KURKYZTESA-N 1 3 347.547 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001147809414 1281272967 /nfs/dbraw/zinc/27/29/67/1281272967.db2.gz FZAABRPVOCYJFM-KURKYZTESA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667218 1281319393 /nfs/dbraw/zinc/31/93/93/1281319393.db2.gz PBCUKSYJYYCHHN-GGPKGHCWSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)C[C@]2(C)C1 ZINC001091667218 1281319400 /nfs/dbraw/zinc/31/94/00/1281319400.db2.gz PBCUKSYJYYCHHN-GGPKGHCWSA-N 1 3 335.536 2.686 20 0 EFADHO CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175573638 1287489845 /nfs/dbraw/zinc/48/98/45/1287489845.db2.gz PTLWNGLZKDTMKB-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900215 1281351623 /nfs/dbraw/zinc/35/16/23/1281351623.db2.gz JZUBMCDJYVXSJO-STQMWFEESA-N 1 3 341.858 2.588 20 0 EFADHO C[C@H](NCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900215 1281351633 /nfs/dbraw/zinc/35/16/33/1281351633.db2.gz JZUBMCDJYVXSJO-STQMWFEESA-N 1 3 341.858 2.588 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)N(C)C ZINC001148226929 1281463500 /nfs/dbraw/zinc/46/35/00/1281463500.db2.gz YDBDYOIMYDEDKF-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)N(C)C ZINC001148226929 1281463505 /nfs/dbraw/zinc/46/35/05/1281463505.db2.gz YDBDYOIMYDEDKF-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC/C=C\CC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315649 1281514616 /nfs/dbraw/zinc/51/46/16/1281514616.db2.gz SGZLHYZFZWXLKU-FPLPWBNLSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C\CC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315649 1281514627 /nfs/dbraw/zinc/51/46/27/1281514627.db2.gz SGZLHYZFZWXLKU-FPLPWBNLSA-N 1 3 335.536 2.855 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001148364781 1281532342 /nfs/dbraw/zinc/53/23/42/1281532342.db2.gz ASDQUUPLITVWFS-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148384456 1281541767 /nfs/dbraw/zinc/54/17/67/1281541767.db2.gz FAARBDWSYJYDGZ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001148384456 1281541774 /nfs/dbraw/zinc/54/17/74/1281541774.db2.gz FAARBDWSYJYDGZ-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCC1=CCCCC1)C2 ZINC001148469554 1281564938 /nfs/dbraw/zinc/56/49/38/1281564938.db2.gz NFUWTKBSPHAQPW-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC001148469554 1281564945 /nfs/dbraw/zinc/56/49/45/1281564945.db2.gz NFUWTKBSPHAQPW-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001148642892 1281669386 /nfs/dbraw/zinc/66/93/86/1281669386.db2.gz PLXKASDKDXEPBQ-ZDUSSCGKSA-N 1 3 345.409 2.814 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC001148654792 1281675059 /nfs/dbraw/zinc/67/50/59/1281675059.db2.gz AMZJLZAUQMMKCS-GFCCVEGCSA-N 1 3 329.847 2.588 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001148656754 1281676296 /nfs/dbraw/zinc/67/62/96/1281676296.db2.gz CHEJPFGZJWEEHL-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1csc(C)c1)C2 ZINC001148656754 1281676309 /nfs/dbraw/zinc/67/63/09/1281676309.db2.gz CHEJPFGZJWEEHL-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)CCC[N@@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148811571 1281769434 /nfs/dbraw/zinc/76/94/34/1281769434.db2.gz DPPKALAPVPHINM-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CCC2(CN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148811571 1281769444 /nfs/dbraw/zinc/76/94/44/1281769444.db2.gz DPPKALAPVPHINM-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCN(Cc2ccc(NC[C@H]3CCCC[NH2+]3)c(F)c2)CC1 ZINC001171339056 1281770777 /nfs/dbraw/zinc/77/07/77/1281770777.db2.gz IFHXODCVPNHUMB-GOSISDBHSA-N 1 3 348.510 2.906 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840035 1281780197 /nfs/dbraw/zinc/78/01/97/1281780197.db2.gz YPLNVAWNDAYLKC-UHFFFAOYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840035 1281780202 /nfs/dbraw/zinc/78/02/02/1281780202.db2.gz YPLNVAWNDAYLKC-UHFFFAOYSA-N 1 3 347.478 2.509 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148839589 1281781161 /nfs/dbraw/zinc/78/11/61/1281781161.db2.gz SLCZVQBYNZJELY-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148839589 1281781163 /nfs/dbraw/zinc/78/11/63/1281781163.db2.gz SLCZVQBYNZJELY-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC001148845181 1281782685 /nfs/dbraw/zinc/78/26/85/1281782685.db2.gz XLTVMZVIDNFYSI-QGZVFWFLSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001148845181 1281782689 /nfs/dbraw/zinc/78/26/89/1281782689.db2.gz XLTVMZVIDNFYSI-QGZVFWFLSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091758937 1281795349 /nfs/dbraw/zinc/79/53/49/1281795349.db2.gz RYCIVCHYSSXOMK-AOIWGVFYSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1)N(C)C ZINC001091758937 1281795357 /nfs/dbraw/zinc/79/53/57/1281795357.db2.gz RYCIVCHYSSXOMK-AOIWGVFYSA-N 1 3 349.544 2.615 20 0 EFADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CCC1CC1)CC2 ZINC001086907886 1281907471 /nfs/dbraw/zinc/90/74/71/1281907471.db2.gz GJNVIQBQMJMGHD-WMZOPIPTSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001086907850 1281908074 /nfs/dbraw/zinc/90/80/74/1281908074.db2.gz DRFANVQIFDHZQO-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001086926681 1281948160 /nfs/dbraw/zinc/94/81/60/1281948160.db2.gz HDBBWNWICVJTCZ-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN1CCC[C@@H]1C)CC[NH+](CCCF)CC2 ZINC001086941702 1281969970 /nfs/dbraw/zinc/96/99/70/1281969970.db2.gz AEJRWZWMODIAGD-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@H](C)N(C(=O)Cc4c[nH]cn4)C3)CC2)C1 ZINC001086945746 1281980966 /nfs/dbraw/zinc/98/09/66/1281980966.db2.gz HXHYJZCZJWZRFF-CGZBRXJRSA-N 1 3 344.503 2.701 20 0 EFADHO CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001086946157 1281983460 /nfs/dbraw/zinc/98/34/60/1281983460.db2.gz RQQNBSCRVSIJLI-INIZCTEOSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC001086928570 1281991245 /nfs/dbraw/zinc/99/12/45/1281991245.db2.gz HMFQMZKQYQMPFC-ZWKOTPCHSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCCC3)C2)CC1 ZINC001086957554 1282030130 /nfs/dbraw/zinc/03/01/30/1282030130.db2.gz QQXDTQFIARCAKO-IAGOWNOFSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)[C@H]1CNCCO1 ZINC001170571005 1282041190 /nfs/dbraw/zinc/04/11/90/1282041190.db2.gz XJRFLCGRNSTANO-MGPUTAFESA-N 1 3 342.487 2.595 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809605781 1282313603 /nfs/dbraw/zinc/31/36/03/1282313603.db2.gz ILOUOKQPSAGNGD-AWEZNQCLSA-N 1 3 339.505 2.790 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2cnc(C3OCCO3)s2)C1 ZINC000809605781 1282313605 /nfs/dbraw/zinc/31/36/05/1282313605.db2.gz ILOUOKQPSAGNGD-AWEZNQCLSA-N 1 3 339.505 2.790 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001092011164 1282335876 /nfs/dbraw/zinc/33/58/76/1282335876.db2.gz RGHRUCWBCIGFRA-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCCC3CCC3)C[C@@]2(C)C1 ZINC001092011164 1282335885 /nfs/dbraw/zinc/33/58/85/1282335885.db2.gz RGHRUCWBCIGFRA-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092011529 1282337317 /nfs/dbraw/zinc/33/73/17/1282337317.db2.gz YLWJPHDDWNXXLY-SUMDDJOVSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](Cc3ccsc3)C[C@@]2(C)C1 ZINC001092011529 1282337327 /nfs/dbraw/zinc/33/73/27/1282337327.db2.gz YLWJPHDDWNXXLY-SUMDDJOVSA-N 1 3 347.528 2.513 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013365 1282338153 /nfs/dbraw/zinc/33/81/53/1282338153.db2.gz OJTGZGGOVOBAAC-DSKINZAPSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4=CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013365 1282338163 /nfs/dbraw/zinc/33/81/63/1282338163.db2.gz OJTGZGGOVOBAAC-DSKINZAPSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CC4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013495 1282338698 /nfs/dbraw/zinc/33/86/98/1282338698.db2.gz SPYXPFQJKDUQBC-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@]3(C)C2)C1 ZINC001092013495 1282338704 /nfs/dbraw/zinc/33/87/04/1282338704.db2.gz SPYXPFQJKDUQBC-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013294 1282339156 /nfs/dbraw/zinc/33/91/56/1282339156.db2.gz MMRPCDXYUDWVNS-HQRMLTQVSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013294 1282339159 /nfs/dbraw/zinc/33/91/59/1282339159.db2.gz MMRPCDXYUDWVNS-HQRMLTQVSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001092021377 1282341822 /nfs/dbraw/zinc/34/18/22/1282341822.db2.gz BFVYCUJBJFQLBV-HBFSDRIKSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@]2(C)C1)N(C)C ZINC001092021377 1282341833 /nfs/dbraw/zinc/34/18/33/1282341833.db2.gz BFVYCUJBJFQLBV-HBFSDRIKSA-N 1 3 347.547 2.687 20 0 EFADHO Cc1cc(CNCCNC(=O)C2(C[NH+](C)C)CCCCC2)cs1 ZINC001131799572 1282350694 /nfs/dbraw/zinc/35/06/94/1282350694.db2.gz SDUCPMWWIJXZCB-UHFFFAOYSA-N 1 3 337.533 2.774 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071199 1282367643 /nfs/dbraw/zinc/36/76/43/1282367643.db2.gz LMOXZUZSIYMNCK-HBFSDRIKSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@]2(C)C1 ZINC001092071199 1282367653 /nfs/dbraw/zinc/36/76/53/1282367653.db2.gz LMOXZUZSIYMNCK-HBFSDRIKSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071139 1282367951 /nfs/dbraw/zinc/36/79/51/1282367951.db2.gz IDSBHMFGMOLDST-NSHGMRRFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071139 1282367956 /nfs/dbraw/zinc/36/79/56/1282367956.db2.gz IDSBHMFGMOLDST-NSHGMRRFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071437 1282369551 /nfs/dbraw/zinc/36/95/51/1282369551.db2.gz VUDIBNWGZXXKAC-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCC3)C[C@@]2(C)C1)N1CCCCCC1 ZINC001092071437 1282369554 /nfs/dbraw/zinc/36/95/54/1282369554.db2.gz VUDIBNWGZXXKAC-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815887 1282399226 /nfs/dbraw/zinc/39/92/26/1282399226.db2.gz YEPAOGRYEMXXIR-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815887 1282399235 /nfs/dbraw/zinc/39/92/35/1282399235.db2.gz YEPAOGRYEMXXIR-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2cc(C)oc2C)CC1 ZINC000809733409 1282411714 /nfs/dbraw/zinc/41/17/14/1282411714.db2.gz ZZISHRYGMMPERI-UHFFFAOYSA-N 1 3 349.519 2.957 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736031 1282436268 /nfs/dbraw/zinc/43/62/68/1282436268.db2.gz ZHDYKBCEXHVJNO-TYPHKJRUSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736031 1282436272 /nfs/dbraw/zinc/43/62/72/1282436272.db2.gz ZHDYKBCEXHVJNO-TYPHKJRUSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810189304 1283024327 /nfs/dbraw/zinc/02/43/27/1283024327.db2.gz BCRLCPGARQXCQY-LJQANCHMSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810189304 1283024339 /nfs/dbraw/zinc/02/43/39/1283024339.db2.gz BCRLCPGARQXCQY-LJQANCHMSA-N 1 3 341.515 2.778 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCOC(C)C)C1 ZINC001132152656 1283050441 /nfs/dbraw/zinc/05/04/41/1283050441.db2.gz GZGHLGFOXWRLTE-DLBZAZTESA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCOC(C)C)C1 ZINC001132152656 1283050447 /nfs/dbraw/zinc/05/04/47/1283050447.db2.gz GZGHLGFOXWRLTE-DLBZAZTESA-N 1 3 341.540 2.501 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC(F)(F)C2)C1 ZINC001132153331 1283052656 /nfs/dbraw/zinc/05/26/56/1283052656.db2.gz QECNLYPKWZMNNH-UKRRQHHQSA-N 1 3 345.478 2.731 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC2CC(F)(F)C2)C1 ZINC001132153331 1283052670 /nfs/dbraw/zinc/05/26/70/1283052670.db2.gz QECNLYPKWZMNNH-UKRRQHHQSA-N 1 3 345.478 2.731 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CN1CCCF ZINC001132141207 1283066076 /nfs/dbraw/zinc/06/60/76/1283066076.db2.gz PNMULKQJSIWEGX-HOTGVXAUSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CN1CCCF ZINC001132141207 1283066081 /nfs/dbraw/zinc/06/60/81/1283066081.db2.gz PNMULKQJSIWEGX-HOTGVXAUSA-N 1 3 341.515 2.968 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]2C)c1 ZINC001132265556 1283219094 /nfs/dbraw/zinc/21/90/94/1283219094.db2.gz OKRGATKOZLCZCQ-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCCCC(F)(F)F ZINC001132274506 1283245607 /nfs/dbraw/zinc/24/56/07/1283245607.db2.gz VLQDSSPJLGKPQN-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735430 1283309071 /nfs/dbraw/zinc/30/90/71/1283309071.db2.gz JNQIHJPOPHDZBL-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735430 1283309077 /nfs/dbraw/zinc/30/90/77/1283309077.db2.gz JNQIHJPOPHDZBL-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737874 1283320957 /nfs/dbraw/zinc/32/09/57/1283320957.db2.gz XGEAIERZYFLGIT-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737874 1283320971 /nfs/dbraw/zinc/32/09/71/1283320971.db2.gz XGEAIERZYFLGIT-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737871 1283321377 /nfs/dbraw/zinc/32/13/77/1283321377.db2.gz XGEAIERZYFLGIT-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737871 1283321390 /nfs/dbraw/zinc/32/13/90/1283321390.db2.gz XGEAIERZYFLGIT-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036754929 1283422745 /nfs/dbraw/zinc/42/27/45/1283422745.db2.gz NVYAMEOYSTZQNP-RDJZCZTQSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2CCF)C1 ZINC001036754929 1283422753 /nfs/dbraw/zinc/42/27/53/1283422753.db2.gz NVYAMEOYSTZQNP-RDJZCZTQSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](F)C[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222408 1283511843 /nfs/dbraw/zinc/51/18/43/1283511843.db2.gz LBZVRSSHDWYNDP-ATZDWAIDSA-N 1 3 349.494 2.794 20 0 EFADHO CC[C@@H](F)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222408 1283511856 /nfs/dbraw/zinc/51/18/56/1283511856.db2.gz LBZVRSSHDWYNDP-ATZDWAIDSA-N 1 3 349.494 2.794 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410846 1283530762 /nfs/dbraw/zinc/53/07/62/1283530762.db2.gz PCCHBKUVYCAXPP-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410846 1283530767 /nfs/dbraw/zinc/53/07/67/1283530767.db2.gz PCCHBKUVYCAXPP-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132437175 1283576737 /nfs/dbraw/zinc/57/67/37/1283576737.db2.gz RAVVDBHJQNWFDP-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001132437175 1283576746 /nfs/dbraw/zinc/57/67/46/1283576746.db2.gz RAVVDBHJQNWFDP-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132437652 1283580073 /nfs/dbraw/zinc/58/00/73/1283580073.db2.gz WWQRLPDCXDFELD-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CCCCOCCN1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437652 1283580079 /nfs/dbraw/zinc/58/00/79/1283580079.db2.gz WWQRLPDCXDFELD-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372044 1283808253 /nfs/dbraw/zinc/80/82/53/1283808253.db2.gz YDCDLTKGYWVATI-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001093372044 1283808262 /nfs/dbraw/zinc/80/82/62/1283808262.db2.gz YDCDLTKGYWVATI-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093372454 1283811797 /nfs/dbraw/zinc/81/17/97/1283811797.db2.gz DKTIRKQSSINVJV-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1)N(C)C ZINC001093372454 1283811807 /nfs/dbraw/zinc/81/18/07/1283811807.db2.gz DKTIRKQSSINVJV-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093379125 1283836756 /nfs/dbraw/zinc/83/67/56/1283836756.db2.gz ZPGWPKFKZORTMZ-XLIONFOSSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001093379125 1283836764 /nfs/dbraw/zinc/83/67/64/1283836764.db2.gz ZPGWPKFKZORTMZ-XLIONFOSSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093379769 1283839081 /nfs/dbraw/zinc/83/90/81/1283839081.db2.gz IRAQBPOOOQPAFI-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2[N@H+](C(C)C)CC23CCC3)CC1)N(C)C ZINC001093379769 1283839095 /nfs/dbraw/zinc/83/90/95/1283839095.db2.gz IRAQBPOOOQPAFI-ZWKOTPCHSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383834 1283856222 /nfs/dbraw/zinc/85/62/22/1283856222.db2.gz PYFBYHSEXYZALO-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001093383834 1283856227 /nfs/dbraw/zinc/85/62/27/1283856227.db2.gz PYFBYHSEXYZALO-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[N@H+](CC)CC1)N(C)C ZINC001132555594 1283933017 /nfs/dbraw/zinc/93/30/17/1283933017.db2.gz WXHDMCNXOPDCQK-RTBURBONSA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@@H]1CCC[N@@H+](CC)CC1)N(C)C ZINC001132555594 1283933026 /nfs/dbraw/zinc/93/30/26/1283933026.db2.gz WXHDMCNXOPDCQK-RTBURBONSA-N 1 3 346.519 2.625 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000715046453 1284012823 /nfs/dbraw/zinc/01/28/23/1284012823.db2.gz IFAGOPXKLLYPKE-AQNXPRMDSA-N 1 3 341.499 2.627 20 0 EFADHO N[C@H](CC1CC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000715046453 1284012830 /nfs/dbraw/zinc/01/28/30/1284012830.db2.gz IFAGOPXKLLYPKE-AQNXPRMDSA-N 1 3 341.499 2.627 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001132737659 1284206305 /nfs/dbraw/zinc/20/63/05/1284206305.db2.gz ONRSRWCTIZBCLR-QGZVFWFLSA-N 1 3 343.471 2.761 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCc2cc3ccccc3o2)C1 ZINC001132737659 1284206317 /nfs/dbraw/zinc/20/63/17/1284206317.db2.gz ONRSRWCTIZBCLR-QGZVFWFLSA-N 1 3 343.471 2.761 20 0 EFADHO C[C@@H]1CN(C[C@@]2(C)CC2(Cl)Cl)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000828564661 1284273295 /nfs/dbraw/zinc/27/32/95/1284273295.db2.gz UXVZKYVMCYXOHQ-QLFBSQMISA-N 1 3 334.335 2.528 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086694066 1284275759 /nfs/dbraw/zinc/27/57/59/1284275759.db2.gz AKLYBEJNCQFCPK-IPMKNSEASA-N 1 3 335.536 2.924 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790694 1284291694 /nfs/dbraw/zinc/29/16/94/1284291694.db2.gz JIFROIXQCOPZLR-LJQANCHMSA-N 1 3 347.478 2.829 20 0 EFADHO O=C(NCCNCc1cccc(F)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790694 1284291703 /nfs/dbraw/zinc/29/17/03/1284291703.db2.gz JIFROIXQCOPZLR-LJQANCHMSA-N 1 3 347.478 2.829 20 0 EFADHO Cc1cc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)sn1 ZINC001176753285 1288119596 /nfs/dbraw/zinc/11/95/96/1288119596.db2.gz FCCDTVYJKZSGEW-CQSZACIVSA-N 1 3 340.537 2.556 20 0 EFADHO C[C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1C[NH2+]CCCF ZINC001132823759 1284334827 /nfs/dbraw/zinc/33/48/27/1284334827.db2.gz LFRBVPNHUYCVTQ-IRXDYDNUSA-N 1 3 341.515 2.685 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1C ZINC001132830170 1284357889 /nfs/dbraw/zinc/35/78/89/1284357889.db2.gz AQGRSSOMFWHJDZ-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C ZINC001132887105 1284421197 /nfs/dbraw/zinc/42/11/97/1284421197.db2.gz BFQYSJFRWRLVNE-OSFIAYCASA-N 1 3 335.536 2.901 20 0 EFADHO C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132892344 1284427375 /nfs/dbraw/zinc/42/73/75/1284427375.db2.gz DSCSQGZQPPSHTB-DLBZAZTESA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001132938777 1284492173 /nfs/dbraw/zinc/49/21/73/1284492173.db2.gz ZBZMADZEVSCGBH-LPXAQJHASA-N 1 3 329.916 2.543 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]2C)C1 ZINC001093770261 1284507284 /nfs/dbraw/zinc/50/72/84/1284507284.db2.gz GHBDEHGOMXMORA-JWHDQAAXSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093824095 1284543933 /nfs/dbraw/zinc/54/39/33/1284543933.db2.gz GNQLGQOUQQVCEQ-LZQZEXGQSA-N 1 3 333.520 2.511 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C)[C@H](C)C1)N(C)C ZINC001093857450 1284572347 /nfs/dbraw/zinc/57/23/47/1284572347.db2.gz GQTRUQGNBMFDPF-BHIYHBOVSA-N 1 3 331.504 2.519 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1)N(C)C ZINC001093857611 1284572665 /nfs/dbraw/zinc/57/26/65/1284572665.db2.gz NXXZJMMOXVLJDT-SZVBFZGTSA-N 1 3 349.494 2.658 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001093859711 1284574694 /nfs/dbraw/zinc/57/46/94/1284574694.db2.gz ZPHXDOPLPAVVSB-NSISKUIASA-N 1 3 345.531 2.773 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CC4(CCC4)C3)[C@H](C)C2)C1 ZINC001094042351 1284729846 /nfs/dbraw/zinc/72/98/46/1284729846.db2.gz SAJONPVLEJJCBI-YQVWRLOYSA-N 1 3 347.547 2.593 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2C)[C@H](C)C1)N(C)C ZINC001094049125 1284732660 /nfs/dbraw/zinc/73/26/60/1284732660.db2.gz HWKVQYUJWNKIPA-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1)N(C)C ZINC001094049208 1284733540 /nfs/dbraw/zinc/73/35/40/1284733540.db2.gz MHYZLVDZKDUWEZ-RLLQIKCJSA-N 1 3 345.531 2.828 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1cccc(F)c1 ZINC001094075055 1284758842 /nfs/dbraw/zinc/75/88/42/1284758842.db2.gz XSPXZVXRKNMIEH-IJEWVQPXSA-N 1 3 344.434 2.537 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1F ZINC001094074472 1284759265 /nfs/dbraw/zinc/75/92/65/1284759265.db2.gz BSLWMMGPQLEBRC-QLFBSQMISA-N 1 3 344.434 2.537 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001094088752 1284771352 /nfs/dbraw/zinc/77/13/52/1284771352.db2.gz MGCRUBIGAKUDNZ-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133122158 1284831010 /nfs/dbraw/zinc/83/10/10/1284831010.db2.gz OCYAJJCDNLSEBE-IRXDYDNUSA-N 1 3 325.541 2.839 20 0 EFADHO CCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C ZINC001133122157 1284832172 /nfs/dbraw/zinc/83/21/72/1284832172.db2.gz OCYAJJCDNLSEBE-IAGOWNOFSA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C ZINC001133121661 1284832819 /nfs/dbraw/zinc/83/28/19/1284832819.db2.gz JZITXRWYDUXXJH-IRXDYDNUSA-N 1 3 325.541 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001094241596 1284869689 /nfs/dbraw/zinc/86/96/89/1284869689.db2.gz RVBDCRGPLSRLNK-BHIYHBOVSA-N 1 3 349.563 2.981 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](C)C1 ZINC001094241660 1284870412 /nfs/dbraw/zinc/87/04/12/1284870412.db2.gz URXKWORAACTDGQ-QRQLOZEOSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133178282 1284937283 /nfs/dbraw/zinc/93/72/83/1284937283.db2.gz NVQPRZVKYFZIFL-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133181439 1284943380 /nfs/dbraw/zinc/94/33/80/1284943380.db2.gz BFQZXEIBJROEHH-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCF)C1 ZINC001133186436 1284953203 /nfs/dbraw/zinc/95/32/03/1284953203.db2.gz VFLYWUMRLGVYKW-QZTJIDSGSA-N 1 3 343.531 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133190802 1284965459 /nfs/dbraw/zinc/96/54/59/1284965459.db2.gz IQQLVVMZAUPYNA-HKUYNNGSSA-N 1 3 335.536 2.903 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCF)CC2 ZINC001094413666 1285037915 /nfs/dbraw/zinc/03/79/15/1285037915.db2.gz HUKYBVLPLGNXKJ-YQVWRLOYSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001094413666 1285037925 /nfs/dbraw/zinc/03/79/25/1285037925.db2.gz HUKYBVLPLGNXKJ-YQVWRLOYSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094413773 1285039189 /nfs/dbraw/zinc/03/91/89/1285039189.db2.gz JIWRGTINIGZPBN-NLWGTHIKSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094413773 1285039200 /nfs/dbraw/zinc/03/92/00/1285039200.db2.gz JIWRGTINIGZPBN-NLWGTHIKSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133274349 1285113215 /nfs/dbraw/zinc/11/32/15/1285113215.db2.gz GUAMWQVANXFCAH-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133274499 1285114525 /nfs/dbraw/zinc/11/45/25/1285114525.db2.gz JBBYGPWJZZPUOC-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C ZINC001133274700 1285114675 /nfs/dbraw/zinc/11/46/75/1285114675.db2.gz MKGREMFVWWEWSB-MSOLQXFVSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133274526 1285115638 /nfs/dbraw/zinc/11/56/38/1285115638.db2.gz JRGPYZJXTVRNFR-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133346601 1285225344 /nfs/dbraw/zinc/22/53/44/1285225344.db2.gz NFOBZUVZWVDDPZ-PKOBYXMFSA-N 1 3 331.504 2.601 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133346364 1285228985 /nfs/dbraw/zinc/22/89/85/1285228985.db2.gz LYFRUTYDCYMHGQ-SJLPKXTDSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133346365 1285229280 /nfs/dbraw/zinc/22/92/80/1285229280.db2.gz LYFRUTYDCYMHGQ-WMZOPIPTSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001133345921 1285229866 /nfs/dbraw/zinc/22/98/66/1285229866.db2.gz IFDMYAVCZUFCPW-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH2+]CC)Cc1cccc(Cl)c1 ZINC001133410430 1285371223 /nfs/dbraw/zinc/37/12/23/1285371223.db2.gz FTHWWOALVJEBQN-UHFFFAOYSA-N 1 3 325.884 2.620 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001133419718 1285382131 /nfs/dbraw/zinc/38/21/31/1285382131.db2.gz VSFBILGSRSMIQJ-IAGOWNOFSA-N 1 3 337.895 2.619 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902961 1285383861 /nfs/dbraw/zinc/38/38/61/1285383861.db2.gz SRIPQKNICDIRHY-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@H]21 ZINC001036902961 1285383870 /nfs/dbraw/zinc/38/38/70/1285383870.db2.gz SRIPQKNICDIRHY-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCC1 ZINC001110161733 1285505194 /nfs/dbraw/zinc/50/51/94/1285505194.db2.gz RFZDXBDQJLCMLP-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCC1 ZINC001110161733 1285505201 /nfs/dbraw/zinc/50/52/01/1285505201.db2.gz RFZDXBDQJLCMLP-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001171501999 1285609554 /nfs/dbraw/zinc/60/95/54/1285609554.db2.gz ZSRFTPRFBAPBAI-CRAIPNDOSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001171508329 1285616701 /nfs/dbraw/zinc/61/67/01/1285616701.db2.gz CJHIHKBSZOCYLR-CZUORRHYSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001171509945 1285618567 /nfs/dbraw/zinc/61/85/67/1285618567.db2.gz WIPPLEUCVVRWTN-DZGCQCFKSA-N 1 3 333.467 2.637 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CCc1ccccc1)N(C)C ZINC001171509545 1285618594 /nfs/dbraw/zinc/61/85/94/1285618594.db2.gz RICWTCUDPWVIID-PKOBYXMFSA-N 1 3 333.520 2.834 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001171509781 1285618808 /nfs/dbraw/zinc/61/88/08/1285618808.db2.gz UXCPLHPNVODBGY-IEBWSBKVSA-N 1 3 349.519 2.670 20 0 EFADHO CC[NH+](CC)CCN1CCN([C@H]2CCc3c(C)cccc3C2)CC1 ZINC001171563239 1285650879 /nfs/dbraw/zinc/65/08/79/1285650879.db2.gz GFTWNVOUDZSUEP-FQEVSTJZSA-N 1 3 329.532 2.812 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]C[C@@H]1CCCCO1 ZINC001171596784 1285668758 /nfs/dbraw/zinc/66/87/58/1285668758.db2.gz RHYDCLHIWQZFRQ-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)CCCC[NH2+]C[C@H]1CCCCO1 ZINC001171596783 1285668870 /nfs/dbraw/zinc/66/88/70/1285668870.db2.gz RHYDCLHIWQZFRQ-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]CCCOC(C)C ZINC001171597256 1285668963 /nfs/dbraw/zinc/66/89/63/1285668963.db2.gz WWQCPCUPZFYEMQ-KRWDZBQOSA-N 1 3 343.556 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCCF ZINC001158923202 1285702367 /nfs/dbraw/zinc/70/23/67/1285702367.db2.gz UCMRNMDFXBPOIL-QGZVFWFLSA-N 1 3 329.504 2.779 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001158923202 1285702375 /nfs/dbraw/zinc/70/23/75/1285702375.db2.gz UCMRNMDFXBPOIL-QGZVFWFLSA-N 1 3 329.504 2.779 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC1(C)C ZINC001171641291 1285718748 /nfs/dbraw/zinc/71/87/48/1285718748.db2.gz OEWDKHDQMOFMNK-HNNXBMFYSA-N 1 3 336.455 2.720 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)CC1(C)C ZINC001171641291 1285718755 /nfs/dbraw/zinc/71/87/55/1285718755.db2.gz OEWDKHDQMOFMNK-HNNXBMFYSA-N 1 3 336.455 2.720 20 0 EFADHO C[C@H]1C[C@@H](N2CCCc3ccc(CN)nc32)C[N@@H+]1Cc1ccccc1 ZINC001171733652 1285739875 /nfs/dbraw/zinc/73/98/75/1285739875.db2.gz XIJCUHFVPNIUJZ-OXJNMPFZSA-N 1 3 336.483 2.956 20 0 EFADHO C[C@H]1C[C@@H](N2CCCc3ccc(CN)nc32)C[N@H+]1Cc1ccccc1 ZINC001171733652 1285739882 /nfs/dbraw/zinc/73/98/82/1285739882.db2.gz XIJCUHFVPNIUJZ-OXJNMPFZSA-N 1 3 336.483 2.956 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001171725754 1285742431 /nfs/dbraw/zinc/74/24/31/1285742431.db2.gz PHPCDANELVMCSY-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCNCc1cccc(Cl)c1F ZINC001171725754 1285742434 /nfs/dbraw/zinc/74/24/34/1285742434.db2.gz PHPCDANELVMCSY-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001171732305 1285748084 /nfs/dbraw/zinc/74/80/84/1285748084.db2.gz ZNSVWEOOUZBRQN-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCN[C@H](C)c1cc(F)ccc1F ZINC001171732305 1285748085 /nfs/dbraw/zinc/74/80/85/1285748085.db2.gz ZNSVWEOOUZBRQN-CQSZACIVSA-N 1 3 341.446 2.854 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001171731945 1285748356 /nfs/dbraw/zinc/74/83/56/1285748356.db2.gz SFSVKJQCRNQGFG-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCCN[C@@H](C)c1c(F)cccc1F ZINC001171731945 1285748359 /nfs/dbraw/zinc/74/83/59/1285748359.db2.gz SFSVKJQCRNQGFG-AWEZNQCLSA-N 1 3 341.446 2.854 20 0 EFADHO COCC[N@H+]([C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755258 1285764695 /nfs/dbraw/zinc/76/46/95/1285764695.db2.gz MVELLWYLGASVQZ-RXVVDRJESA-N 1 3 345.531 2.692 20 0 EFADHO COCC[N@@H+]([C@H]1C[C@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755258 1285764696 /nfs/dbraw/zinc/76/46/96/1285764696.db2.gz MVELLWYLGASVQZ-RXVVDRJESA-N 1 3 345.531 2.692 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl ZINC001171763248 1285769234 /nfs/dbraw/zinc/76/92/34/1285769234.db2.gz WJJMOFNXXAPYMW-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO CC[C@@H](C(=O)NCCN[C@@H](C)c1ccc(F)c(F)c1)[NH+](CC)CC ZINC001133689614 1285785633 /nfs/dbraw/zinc/78/56/33/1285785633.db2.gz APSWSOZFKNROPE-GUYCJALGSA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001165718543 1312669790 /nfs/dbraw/zinc/66/97/90/1312669790.db2.gz LIHMKCTZSBBZOP-QGZVFWFLSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001086711984 1285948415 /nfs/dbraw/zinc/94/84/15/1285948415.db2.gz KPGQHGHAAHWSIP-CGTJXYLNSA-N 1 3 349.544 2.997 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973419 1285957684 /nfs/dbraw/zinc/95/76/84/1285957684.db2.gz YXHVZCHRUFEHCO-KURKYZTESA-N 1 3 330.472 2.971 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171973419 1285957688 /nfs/dbraw/zinc/95/76/88/1285957688.db2.gz YXHVZCHRUFEHCO-KURKYZTESA-N 1 3 330.472 2.971 20 0 EFADHO CC1(C)C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CCN1Cc1ccccc1 ZINC001171984721 1285964392 /nfs/dbraw/zinc/96/43/92/1285964392.db2.gz XYLUPBQJTUKPPS-HUUCEWRRSA-N 1 3 330.394 2.942 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987380 1285967544 /nfs/dbraw/zinc/96/75/44/1285967544.db2.gz UKJDYNGMBYUHIA-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CC(=O)N(C)[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987380 1285967548 /nfs/dbraw/zinc/96/75/48/1285967548.db2.gz UKJDYNGMBYUHIA-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1cc2ccccc2s1 ZINC001133819415 1285973630 /nfs/dbraw/zinc/97/36/30/1285973630.db2.gz BKZCQWXOBQSACY-AWEZNQCLSA-N 1 3 331.485 2.591 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172020682 1285974128 /nfs/dbraw/zinc/97/41/28/1285974128.db2.gz CBDUGBIAHNLGOD-LJQANCHMSA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172020682 1285974136 /nfs/dbraw/zinc/97/41/36/1285974136.db2.gz CBDUGBIAHNLGOD-LJQANCHMSA-N 1 3 333.520 2.869 20 0 EFADHO CC[C@H](NCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001133823313 1285981281 /nfs/dbraw/zinc/98/12/81/1285981281.db2.gz BQLQOVINCXLJKN-GUYCJALGSA-N 1 3 339.430 2.606 20 0 EFADHO CC[C@H](NCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001133823313 1285981282 /nfs/dbraw/zinc/98/12/82/1285981282.db2.gz BQLQOVINCXLJKN-GUYCJALGSA-N 1 3 339.430 2.606 20 0 EFADHO CC[C@@H](NCCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001133823314 1285981297 /nfs/dbraw/zinc/98/12/97/1285981297.db2.gz BQLQOVINCXLJKN-SUMWQHHRSA-N 1 3 339.430 2.606 20 0 EFADHO CC[C@@H](NCCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ccc(F)cc1F ZINC001133823314 1285981299 /nfs/dbraw/zinc/98/12/99/1285981299.db2.gz BQLQOVINCXLJKN-SUMWQHHRSA-N 1 3 339.430 2.606 20 0 EFADHO NC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074111 1285992324 /nfs/dbraw/zinc/99/23/24/1285992324.db2.gz FQYPQJCYUMTLHE-IYWMVGAKSA-N 1 3 341.499 2.912 20 0 EFADHO NC(=O)[C@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074111 1285992333 /nfs/dbraw/zinc/99/23/33/1285992333.db2.gz FQYPQJCYUMTLHE-IYWMVGAKSA-N 1 3 341.499 2.912 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172078915 1285997233 /nfs/dbraw/zinc/99/72/33/1285997233.db2.gz KFJGOZQCPBNAPG-FCGDIQPGSA-N 1 3 341.499 2.686 20 0 EFADHO CC1(C)C(=O)NC[C@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172078915 1285997239 /nfs/dbraw/zinc/99/72/39/1285997239.db2.gz KFJGOZQCPBNAPG-FCGDIQPGSA-N 1 3 341.499 2.686 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C[C@@H]1OCCc3cn(CC4CC4)nc31)C2 ZINC001172101595 1285999013 /nfs/dbraw/zinc/99/90/13/1285999013.db2.gz FSPSYGIZRRUPEP-OKYOBFRVSA-N 1 3 344.503 2.512 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(Cl)cc1 ZINC001133824083 1286008615 /nfs/dbraw/zinc/00/86/15/1286008615.db2.gz XIWMAUKHUMXZCH-YOEHRIQHSA-N 1 3 337.895 2.981 20 0 EFADHO COC(=O)c1cccc2c1CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172127326 1286011138 /nfs/dbraw/zinc/01/11/38/1286011138.db2.gz IFWPKIPSSMNQPT-BJWYYQGGSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1cccc2c1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)C2 ZINC001172127326 1286011141 /nfs/dbraw/zinc/01/11/41/1286011141.db2.gz IFWPKIPSSMNQPT-BJWYYQGGSA-N 1 3 328.456 2.847 20 0 EFADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133851243 1286013197 /nfs/dbraw/zinc/01/31/97/1286013197.db2.gz ZUPYEUHNNGTERU-FQEVSTJZSA-N 1 3 349.494 2.667 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001172130075 1286014357 /nfs/dbraw/zinc/01/43/57/1286014357.db2.gz GYQHTLGZQSFMKI-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001172130075 1286014362 /nfs/dbraw/zinc/01/43/62/1286014362.db2.gz GYQHTLGZQSFMKI-MLHJIOFPSA-N 1 3 330.476 2.644 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001165718349 1312669921 /nfs/dbraw/zinc/66/99/21/1312669921.db2.gz JDHKZUKADAWEAJ-GOSISDBHSA-N 1 3 349.494 2.585 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(NC(=O)OC(C)(C)C)CC1)C2 ZINC001172109424 1286023894 /nfs/dbraw/zinc/02/38/94/1286023894.db2.gz DAOFGCCCMUJPKY-FVQHAEBGSA-N 1 3 337.508 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(NC(=O)OC(C)(C)C)CC1)C2 ZINC001172109424 1286023898 /nfs/dbraw/zinc/02/38/98/1286023898.db2.gz DAOFGCCCMUJPKY-FVQHAEBGSA-N 1 3 337.508 2.991 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846256 1286024898 /nfs/dbraw/zinc/02/48/98/1286024898.db2.gz XKFVKBWHPVWAPR-INIZCTEOSA-N 1 3 339.483 2.696 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172114214 1286025681 /nfs/dbraw/zinc/02/56/81/1286025681.db2.gz PKALMRCLEBVRGK-LTIDMASMSA-N 1 3 349.519 2.991 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1C[C@@H](NC(=O)OC(C)(C)C)C3(CC3)C1)C2 ZINC001172114214 1286025686 /nfs/dbraw/zinc/02/56/86/1286025686.db2.gz PKALMRCLEBVRGK-LTIDMASMSA-N 1 3 349.519 2.991 20 0 EFADHO COC(=O)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001172117429 1286026695 /nfs/dbraw/zinc/02/66/95/1286026695.db2.gz LSYSEPJTFXDOAI-CUSZFKRNSA-N 1 3 332.444 2.601 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133856548 1286031635 /nfs/dbraw/zinc/03/16/35/1286031635.db2.gz ISZLXYNNRXIWAA-QAPCUYQASA-N 1 3 329.504 2.587 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c(C)c1 ZINC001133856784 1286032984 /nfs/dbraw/zinc/03/29/84/1286032984.db2.gz QVUTXMPQCORSTF-HXUWFJFHSA-N 1 3 349.494 2.722 20 0 EFADHO NC1(c2ccccc2Cl)CC[NH+]([C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172156953 1286041752 /nfs/dbraw/zinc/04/17/52/1286041752.db2.gz GDYBXWSVBKABRQ-HUUCEWRRSA-N 1 3 347.890 2.743 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870913 1286055118 /nfs/dbraw/zinc/05/51/18/1286055118.db2.gz XCISSHQCMYLYGM-YWZLYKJASA-N 1 3 349.478 2.660 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133870913 1286055123 /nfs/dbraw/zinc/05/51/23/1286055123.db2.gz XCISSHQCMYLYGM-YWZLYKJASA-N 1 3 349.478 2.660 20 0 EFADHO COCCC[NH+]1CCC(NC[C@@H](C)Oc2ccc(OC)cc2)CC1 ZINC001172243934 1286076754 /nfs/dbraw/zinc/07/67/54/1286076754.db2.gz JNQSGRGDWWPHOS-MRXNPFEDSA-N 1 3 336.476 2.553 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001133896453 1286077454 /nfs/dbraw/zinc/07/74/54/1286077454.db2.gz JONOMEIDMWKIMH-ARJAWSKDSA-N 1 3 349.906 2.791 20 0 EFADHO COCCC[NH+]1CCC(NCCN2CCCc3ccccc32)CC1 ZINC001172246341 1286077913 /nfs/dbraw/zinc/07/79/13/1286077913.db2.gz BDTGSLSCQHSFBF-UHFFFAOYSA-N 1 3 331.504 2.530 20 0 EFADHO COCCC[NH+]1CCC(N[C@H](C)[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001172247611 1286080064 /nfs/dbraw/zinc/08/00/64/1286080064.db2.gz NLGWYXFHRKTKLE-RDTXWAMCSA-N 1 3 340.895 2.852 20 0 EFADHO COCCC[NH+]1CCC(N2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001172257181 1286085871 /nfs/dbraw/zinc/08/58/71/1286085871.db2.gz LLAVXMIRVHGDMR-UHFFFAOYSA-N 1 3 349.494 2.839 20 0 EFADHO CCCc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133906224 1286088358 /nfs/dbraw/zinc/08/83/58/1286088358.db2.gz RBPLMMQPBMIRFK-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001165718997 1312670157 /nfs/dbraw/zinc/67/01/57/1312670157.db2.gz WNTXEWNHWBPSGF-LSDHHAIUSA-N 1 3 345.478 2.638 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1cccc(Cl)c1)CC(C)(C)C ZINC001133899815 1286099762 /nfs/dbraw/zinc/09/97/62/1286099762.db2.gz YSRIPOHQDUJJQF-UHFFFAOYSA-N 1 3 325.884 2.524 20 0 EFADHO C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H]1C ZINC001172377894 1286118006 /nfs/dbraw/zinc/11/80/06/1286118006.db2.gz ZOIUUVPMDJVDHC-LMMKCTJWSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H]1C ZINC001172377894 1286118012 /nfs/dbraw/zinc/11/80/12/1286118012.db2.gz ZOIUUVPMDJVDHC-LMMKCTJWSA-N 1 3 345.531 2.635 20 0 EFADHO CC[C@@H](C)OCC[C@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001172352527 1286122843 /nfs/dbraw/zinc/12/28/43/1286122843.db2.gz ICNLHEXSRLZMJE-RBUKOAKNSA-N 1 3 327.557 2.930 20 0 EFADHO CC[C@@H](CC(C)C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001172404184 1286124916 /nfs/dbraw/zinc/12/49/16/1286124916.db2.gz YYOKWPKQFGYQRH-SFHVURJKSA-N 1 3 333.520 2.635 20 0 EFADHO CC[C@@H](CC(C)C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001172404184 1286124920 /nfs/dbraw/zinc/12/49/20/1286124920.db2.gz YYOKWPKQFGYQRH-SFHVURJKSA-N 1 3 333.520 2.635 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C)CN(C)C ZINC000813877065 1286166430 /nfs/dbraw/zinc/16/64/30/1286166430.db2.gz JWKMQAVJKXHANV-OWCLPIDISA-N 1 3 327.513 3.000 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1c(C)ccc2ccccc21)N(C)C ZINC001133963723 1286167794 /nfs/dbraw/zinc/16/77/94/1286167794.db2.gz YAUJVWXIQBLPFS-IBGZPJMESA-N 1 3 327.472 2.694 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC001133965586 1286172019 /nfs/dbraw/zinc/17/20/19/1286172019.db2.gz ACRYYANPKUSOEW-HOTGVXAUSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1)N(C)C ZINC001133966001 1286172112 /nfs/dbraw/zinc/17/21/12/1286172112.db2.gz SPXHSBWNQYVUMI-IBGZPJMESA-N 1 3 331.504 2.890 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccc(F)cc3)CC2)C1 ZINC001172601219 1286196769 /nfs/dbraw/zinc/19/67/69/1286196769.db2.gz DUMXZYAPFVORSJ-SJLPKXTDSA-N 1 3 348.462 2.893 20 0 EFADHO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001172607287 1286201253 /nfs/dbraw/zinc/20/12/53/1286201253.db2.gz XOUYBITYVTZTFT-QZTJIDSGSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)[C@H]1CCC[C@@H](N2CCC([NH3+])(Cc3ccccc3)CC2)C1 ZINC001172609691 1286203160 /nfs/dbraw/zinc/20/31/60/1286203160.db2.gz RDMXQOGMYLMOOE-ZWKOTPCHSA-N 1 3 330.472 2.754 20 0 EFADHO CC(C)OC(=O)CC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172746919 1286254842 /nfs/dbraw/zinc/25/48/42/1286254842.db2.gz WEICFMXSDNJPCY-MRXNPFEDSA-N 1 3 340.508 2.587 20 0 EFADHO CC(C)OC(=O)CC[C@@H](C)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001172746919 1286254845 /nfs/dbraw/zinc/25/48/45/1286254845.db2.gz WEICFMXSDNJPCY-MRXNPFEDSA-N 1 3 340.508 2.587 20 0 EFADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001095060094 1286470551 /nfs/dbraw/zinc/47/05/51/1286470551.db2.gz ANGKNOXQHVFJSK-SXLOBPIMSA-N 1 3 343.515 2.987 20 0 EFADHO CCOCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368873 1286639381 /nfs/dbraw/zinc/63/93/81/1286639381.db2.gz BPFBJWCWUPEUQA-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCC([NH3+])(Cc3ccccn3)CC2)C1 ZINC001173633478 1286728304 /nfs/dbraw/zinc/72/83/04/1286728304.db2.gz LFEHGMVSLMVEAD-SJLPKXTDSA-N 1 3 345.487 2.539 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C(=O)OC)cc3)C[C@H]2C1 ZINC001173735680 1286771593 /nfs/dbraw/zinc/77/15/93/1286771593.db2.gz QVALLHCCBSWHAQ-ATZDWAIDSA-N 1 3 330.472 2.678 20 0 EFADHO c1nnn([C@H]2CCC[C@@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C2)n1 ZINC001173747591 1286774997 /nfs/dbraw/zinc/77/49/97/1286774997.db2.gz CFNRUIUISBKANZ-MOPGFXCFSA-N 1 3 346.523 2.791 20 0 EFADHO c1nnn([C@H]2CCC[C@H]([NH2+]C3CCN(C4CCCCC4)CC3)C2)n1 ZINC001173751971 1286776885 /nfs/dbraw/zinc/77/68/85/1286776885.db2.gz NTMCDMBENOPDSZ-WMZOPIPTSA-N 1 3 332.496 2.544 20 0 EFADHO c1nnn([C@H]2CCC[C@H]([NH2+]C3CCN(C[C@H]4CC=CCC4)CC3)C2)n1 ZINC001173755603 1286778358 /nfs/dbraw/zinc/77/83/58/1286778358.db2.gz ZWMRFWAIWPEZNQ-WDSOQIARSA-N 1 3 344.507 2.567 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001134583762 1286916640 /nfs/dbraw/zinc/91/66/40/1286916640.db2.gz NYJHHLDKRSSWNL-IRXDYDNUSA-N 1 3 331.504 2.586 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583582 1286917946 /nfs/dbraw/zinc/91/79/46/1286917946.db2.gz MLOUYFBZOMHLLD-CVEARBPZSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001134584546 1286918988 /nfs/dbraw/zinc/91/89/88/1286918988.db2.gz UZTVBFULYXKAHL-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134584554 1286919171 /nfs/dbraw/zinc/91/91/71/1286919171.db2.gz VDLYLWSFAPBEDE-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c(C)n1 ZINC001134584777 1286919391 /nfs/dbraw/zinc/91/93/91/1286919391.db2.gz WWNFAYZWZBLTBY-HOTGVXAUSA-N 1 3 346.519 2.556 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134611744 1286947521 /nfs/dbraw/zinc/94/75/21/1286947521.db2.gz BEMLYDBZPCJEPN-HZPDHXFCSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134611743 1286947926 /nfs/dbraw/zinc/94/79/26/1286947926.db2.gz BEMLYDBZPCJEPN-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611714 1286948224 /nfs/dbraw/zinc/94/82/24/1286948224.db2.gz AOFLSINTONSEAH-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)CN(C)C1CCC1 ZINC001134612097 1286949028 /nfs/dbraw/zinc/94/90/28/1286949028.db2.gz HSPKFFXLYLCMEZ-VXGBXAGGSA-N 1 3 336.307 2.663 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)CN(C)C1CCC1 ZINC001134613681 1286950838 /nfs/dbraw/zinc/95/08/38/1286950838.db2.gz XLGRIHJIDSQXGC-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134608091 1286969487 /nfs/dbraw/zinc/96/94/87/1286969487.db2.gz QNJROQHKNXEBTG-DLBZAZTESA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134608610 1286970208 /nfs/dbraw/zinc/97/02/08/1286970208.db2.gz XPRMTUKDUTWXSO-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO Cc1cnc(CNCCCCCCNC(=O)CCC[NH+](C)C)s1 ZINC001179400691 1289122546 /nfs/dbraw/zinc/12/25/46/1289122546.db2.gz RMRJXJYCYJQGSK-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001174683229 1287112303 /nfs/dbraw/zinc/11/23/03/1287112303.db2.gz RDEOWUNBIYJKEJ-INIZCTEOSA-N 1 3 346.862 2.697 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001174683960 1287112833 /nfs/dbraw/zinc/11/28/33/1287112833.db2.gz XNFSKNHYQHXJIQ-DUXPYHPUSA-N 1 3 346.862 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001174692008 1287114917 /nfs/dbraw/zinc/11/49/17/1287114917.db2.gz OQNVBTICMULYKM-LBPRGKRZSA-N 1 3 334.851 2.771 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CC=CC[C@@H]4C3)CC2)CC1 ZINC000871522509 1287125869 /nfs/dbraw/zinc/12/58/69/1287125869.db2.gz PEACQZOCBHZUJC-KDURUIRLSA-N 1 3 345.531 2.607 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001134758994 1287153499 /nfs/dbraw/zinc/15/34/99/1287153499.db2.gz DVZYGKMJECMVCS-IBGZPJMESA-N 1 3 331.504 2.772 20 0 EFADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763199 1287159198 /nfs/dbraw/zinc/15/91/98/1287159198.db2.gz PKACHPSICALMDH-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001134763112 1287159504 /nfs/dbraw/zinc/15/95/04/1287159504.db2.gz MBRUCFHERBRLMN-QGZVFWFLSA-N 1 3 337.895 2.809 20 0 EFADHO Cc1ccc(CC[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001134763395 1287159628 /nfs/dbraw/zinc/15/96/28/1287159628.db2.gz XDYFQVJIHKTNCU-LJQANCHMSA-N 1 3 331.504 2.506 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001134762793 1287160260 /nfs/dbraw/zinc/16/02/60/1287160260.db2.gz GUHXVWDBRYRRRA-KRWDZBQOSA-N 1 3 337.533 2.649 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001134767170 1287163572 /nfs/dbraw/zinc/16/35/72/1287163572.db2.gz RJSYWHNGYVLFMC-HZPDHXFCSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001134766811 1287163904 /nfs/dbraw/zinc/16/39/04/1287163904.db2.gz MUMRWQOFVNJQNL-MOPGFXCFSA-N 1 3 347.478 2.782 20 0 EFADHO CCc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001134767261 1287164259 /nfs/dbraw/zinc/16/42/59/1287164259.db2.gz UPBATRWWFZYTND-IBGZPJMESA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001134766842 1287164285 /nfs/dbraw/zinc/16/42/85/1287164285.db2.gz NICQXBKDRSRAJH-RTBURBONSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001134766169 1287164538 /nfs/dbraw/zinc/16/45/38/1287164538.db2.gz DSKKKEWAEZLIKK-MOPGFXCFSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001134768709 1287166233 /nfs/dbraw/zinc/16/62/33/1287166233.db2.gz FOJPSVGOBUTAKU-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134772227 1287169018 /nfs/dbraw/zinc/16/90/18/1287169018.db2.gz AHVVEYJVABOUPZ-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)s1 ZINC001134772227 1287169022 /nfs/dbraw/zinc/16/90/22/1287169022.db2.gz AHVVEYJVABOUPZ-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001134772299 1287169627 /nfs/dbraw/zinc/16/96/27/1287169627.db2.gz BGAPAUMTLVXKEA-RYUDHWBXSA-N 1 3 325.419 2.542 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001134772354 1287170289 /nfs/dbraw/zinc/17/02/89/1287170289.db2.gz CILDTIRXGCPUFK-OLZOCXBDSA-N 1 3 333.467 2.635 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC001134774069 1287171312 /nfs/dbraw/zinc/17/13/12/1287171312.db2.gz URWDLBNOFMCQEY-IAGOWNOFSA-N 1 3 333.520 2.832 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001134773482 1287171767 /nfs/dbraw/zinc/17/17/67/1287171767.db2.gz PMSFFNNYOWNEJI-GJZGRUSLSA-N 1 3 339.549 2.894 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC001134773639 1287171893 /nfs/dbraw/zinc/17/18/93/1287171893.db2.gz PUTPWOOUNKNIJN-JKSUJKDBSA-N 1 3 349.519 2.798 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC001134774417 1287172867 /nfs/dbraw/zinc/17/28/67/1287172867.db2.gz YENYMXLGQGAOEH-HUUCEWRRSA-N 1 3 337.483 2.929 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1F ZINC001176280232 1287922205 /nfs/dbraw/zinc/92/22/05/1287922205.db2.gz XFFCIGUCRNUGLX-MRXNPFEDSA-N 1 3 337.483 2.932 20 0 EFADHO c1cc(Nc2ccc(CCN3CCOCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001176381806 1287955824 /nfs/dbraw/zinc/95/58/24/1287955824.db2.gz BFEBIAXKIPBPOW-UHFFFAOYSA-N 1 3 349.438 2.886 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176350391 1287959832 /nfs/dbraw/zinc/95/98/32/1287959832.db2.gz CSOBQCBDKLQQPO-AWEZNQCLSA-N 1 3 348.516 2.829 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)NCc1nsc2ccccc12 ZINC001135373212 1287979991 /nfs/dbraw/zinc/97/99/91/1287979991.db2.gz VNOJBLHCIOSTBB-KGLIPLIRSA-N 1 3 348.516 2.621 20 0 EFADHO CCCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481809 1288036441 /nfs/dbraw/zinc/03/64/41/1288036441.db2.gz XSKGPPUKTHOJIP-SJORKVTESA-N 1 3 343.556 2.654 20 0 EFADHO CCCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481806 1288036743 /nfs/dbraw/zinc/03/67/43/1288036743.db2.gz XSKGPPUKTHOJIP-DLBZAZTESA-N 1 3 343.556 2.654 20 0 EFADHO Cc1cncc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001135475747 1288046808 /nfs/dbraw/zinc/04/68/08/1288046808.db2.gz FZJJQYGGKDEWKY-SJORKVTESA-N 1 3 348.535 2.741 20 0 EFADHO Cc1cncc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001135475743 1288047337 /nfs/dbraw/zinc/04/73/37/1288047337.db2.gz FZJJQYGGKDEWKY-IAGOWNOFSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]CCc1cccc(Cl)c1Cl ZINC001135511381 1288068261 /nfs/dbraw/zinc/06/82/61/1288068261.db2.gz PTGXIBMJRXYLEA-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO COCCC[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176736661 1288088027 /nfs/dbraw/zinc/08/80/27/1288088027.db2.gz CVQDDSFAHAJJPR-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739810 1288090067 /nfs/dbraw/zinc/09/00/67/1288090067.db2.gz ZRPLIDHSYXJBNN-SJORKVTESA-N 1 3 349.519 2.661 20 0 EFADHO COCCC[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746388 1288094342 /nfs/dbraw/zinc/09/43/42/1288094342.db2.gz HDCUSSRJFZJBTN-KRWDZBQOSA-N 1 3 349.519 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001176754447 1288120214 /nfs/dbraw/zinc/12/02/14/1288120214.db2.gz VXJHNKXLAMTEQE-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO COc1cccc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001176753718 1288120259 /nfs/dbraw/zinc/12/02/59/1288120259.db2.gz LQAAVWWLVJMKBD-KRWDZBQOSA-N 1 3 349.519 2.800 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1cccnc1 ZINC001176760431 1288122614 /nfs/dbraw/zinc/12/26/14/1288122614.db2.gz WMLOCGKMJPFWAK-MJGOQNOKSA-N 1 3 346.519 2.721 20 0 EFADHO [NH3+]C1CCC(N(C(=O)Cc2c[nH]cn2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001176837054 1288144343 /nfs/dbraw/zinc/14/43/43/1288144343.db2.gz YFZWWJNKNMKMIN-SOTJZCEJSA-N 1 3 338.455 2.607 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCc1ccc2ccccc2c1 ZINC001176975033 1288202547 /nfs/dbraw/zinc/20/25/47/1288202547.db2.gz IFWSVYGCKFBCNX-UHFFFAOYSA-N 1 3 341.499 2.818 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC001176975263 1288202733 /nfs/dbraw/zinc/20/27/33/1288202733.db2.gz NZTMLNOTHKHQJC-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001176974988 1288203184 /nfs/dbraw/zinc/20/31/84/1288203184.db2.gz GBIZMSCWZLDIQW-SFHVURJKSA-N 1 3 331.504 2.543 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001176975903 1288203049 /nfs/dbraw/zinc/20/30/49/1288203049.db2.gz ZYBIZTLPSHIYTE-MRXNPFEDSA-N 1 3 331.504 2.672 20 0 EFADHO COc1cccc(/C=C\CC[NH2+]CCCNC(=O)CN(C)C(C)C)c1 ZINC001176986124 1288206584 /nfs/dbraw/zinc/20/65/84/1288206584.db2.gz FQVKWGCMVJKXSP-UITAMQMPSA-N 1 3 347.503 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001176986115 1288206779 /nfs/dbraw/zinc/20/67/79/1288206779.db2.gz FEMKZBFGJNIUMI-FQEVSTJZSA-N 1 3 343.515 2.646 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001176986107 1288207104 /nfs/dbraw/zinc/20/71/04/1288207104.db2.gz DYJHWRQMSNISCR-LJQANCHMSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC001176986016 1288207180 /nfs/dbraw/zinc/20/71/80/1288207180.db2.gz BFJFIKSSFVMQCH-KRWDZBQOSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1ccc(C)cc1 ZINC001176986290 1288207601 /nfs/dbraw/zinc/20/76/01/1288207601.db2.gz JPGJNYSOCJLQEB-HXUWFJFHSA-N 1 3 345.531 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1ccc(C)cc1 ZINC001176986427 1288208214 /nfs/dbraw/zinc/20/82/14/1288208214.db2.gz NXYGZLYFMAQTBC-IBGZPJMESA-N 1 3 331.504 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1Cl ZINC001176986159 1288208482 /nfs/dbraw/zinc/20/84/82/1288208482.db2.gz GMCGQNHWENZHPO-KRWDZBQOSA-N 1 3 337.895 2.810 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCc2ccccc21 ZINC001176991406 1288216162 /nfs/dbraw/zinc/21/61/62/1288216162.db2.gz ASTOIRGXAZBTPV-RTBURBONSA-N 1 3 329.488 2.644 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC2(CC2)CC1 ZINC001176992017 1288216568 /nfs/dbraw/zinc/21/65/68/1288216568.db2.gz GZLXQNZKSMNVJB-SFHVURJKSA-N 1 3 335.536 2.927 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001176991732 1288216636 /nfs/dbraw/zinc/21/66/36/1288216636.db2.gz CTKKACDSJMFVHT-JKSUJKDBSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC001176992311 1288217917 /nfs/dbraw/zinc/21/79/17/1288217917.db2.gz LUNVPXGETYNTBC-VQIMIIECSA-N 1 3 347.503 2.727 20 0 EFADHO CCc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001176992418 1288218134 /nfs/dbraw/zinc/21/81/34/1288218134.db2.gz ORHYKDJZFIDHJZ-IBGZPJMESA-N 1 3 331.504 2.719 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F ZINC001176992412 1288218578 /nfs/dbraw/zinc/21/85/78/1288218578.db2.gz OORZNCACYBLRHH-RBUKOAKNSA-N 1 3 347.478 2.783 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001176992410 1288218782 /nfs/dbraw/zinc/21/87/82/1288218782.db2.gz OORZNCACYBLRHH-MOPGFXCFSA-N 1 3 347.478 2.783 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001135691469 1288268279 /nfs/dbraw/zinc/26/82/79/1288268279.db2.gz UZZPWJSICSYJLG-ZWKOTPCHSA-N 1 3 348.535 2.967 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C ZINC001179534278 1289167974 /nfs/dbraw/zinc/16/79/74/1289167974.db2.gz DYUKXNGPNYTYOM-HBFSDRIKSA-N 1 3 343.515 2.683 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135706138 1288290952 /nfs/dbraw/zinc/29/09/52/1288290952.db2.gz PFTRIEZOVUCMDM-SJORKVTESA-N 1 3 345.531 2.890 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1ccccc1C ZINC001135706105 1288290960 /nfs/dbraw/zinc/29/09/60/1288290960.db2.gz OXMYOHUBMFVFRV-ROUUACIJSA-N 1 3 349.519 2.589 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135706585 1288291202 /nfs/dbraw/zinc/29/12/02/1288291202.db2.gz WTGKKBVFUHQYAI-HZPDHXFCSA-N 1 3 344.503 2.883 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135706136 1288291296 /nfs/dbraw/zinc/29/12/96/1288291296.db2.gz PFTRIEZOVUCMDM-IAGOWNOFSA-N 1 3 345.531 2.890 20 0 EFADHO CC(C)OCCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001179498805 1289170384 /nfs/dbraw/zinc/17/03/84/1289170384.db2.gz HUAKCJBULYMXNC-GOSISDBHSA-N 1 3 343.556 2.654 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135743203 1288324696 /nfs/dbraw/zinc/32/46/96/1288324696.db2.gz GQJLDSIJFVTKSL-DLBZAZTESA-N 1 3 348.535 2.920 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135744252 1288325709 /nfs/dbraw/zinc/32/57/09/1288325709.db2.gz YFCDKJAVWUQZAH-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135744253 1288325826 /nfs/dbraw/zinc/32/58/26/1288325826.db2.gz YFCDKJAVWUQZAH-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001135747770 1288328781 /nfs/dbraw/zinc/32/87/81/1288328781.db2.gz UWGNWXZTPFJYHT-HOTGVXAUSA-N 1 3 339.549 2.895 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001135747020 1288329287 /nfs/dbraw/zinc/32/92/87/1288329287.db2.gz MJZOVZBVHGDJHM-JKSUJKDBSA-N 1 3 337.483 2.583 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001165727644 1312671385 /nfs/dbraw/zinc/67/13/85/1312671385.db2.gz FMZILBSVQPZPBT-SCEWNMGZSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+](C2CCC2)C1 ZINC000817021456 1288377934 /nfs/dbraw/zinc/37/79/34/1288377934.db2.gz IPYZUDKMJURPGZ-KXBFYZLASA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC[N@H+](C2CCC2)C1 ZINC000817021456 1288377936 /nfs/dbraw/zinc/37/79/36/1288377936.db2.gz IPYZUDKMJURPGZ-KXBFYZLASA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177317000 1288385351 /nfs/dbraw/zinc/38/53/51/1288385351.db2.gz MANRQZXOZVNSSO-GOSISDBHSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001165727535 1312671434 /nfs/dbraw/zinc/67/14/34/1312671434.db2.gz CNWQDWKYRCBMPR-GOSISDBHSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@H](F)CC[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206301248 1288392135 /nfs/dbraw/zinc/39/21/35/1288392135.db2.gz KQOXROIYQWBOSP-HNNXBMFYSA-N 1 3 329.504 2.541 20 0 EFADHO CN(C)[C@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)C1CC1 ZINC001177340040 1288399058 /nfs/dbraw/zinc/39/90/58/1288399058.db2.gz YDOCDSGOJLRHKR-SFHVURJKSA-N 1 3 341.515 2.685 20 0 EFADHO C[C@H]1CCN(CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)C1 ZINC001177415914 1288423914 /nfs/dbraw/zinc/42/39/14/1288423914.db2.gz OHBSEVIVRRWXSR-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]C/C=C\Cl)CC1CCCC1 ZINC001177431033 1288436999 /nfs/dbraw/zinc/43/69/99/1288436999.db2.gz HROFUNPTLPJBOA-CLTKARDFSA-N 1 3 338.883 2.703 20 0 EFADHO CC[C@@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431378 1288437200 /nfs/dbraw/zinc/43/72/00/1288437200.db2.gz WFLHLJSJUUATEC-MRXNPFEDSA-N 1 3 334.508 2.997 20 0 EFADHO CC[C@H](C)C[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431377 1288437331 /nfs/dbraw/zinc/43/73/31/1288437331.db2.gz WFLHLJSJUUATEC-INIZCTEOSA-N 1 3 334.508 2.997 20 0 EFADHO CC(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203257575 1288505563 /nfs/dbraw/zinc/50/55/63/1288505563.db2.gz NCHTWADDQODDQG-SJORKVTESA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H](C[C@@H](C)NC(=O)CCCC[NH+](C)C)NC/C(Cl)=C\Cl ZINC001135965805 1288689220 /nfs/dbraw/zinc/68/92/20/1288689220.db2.gz FUAHWVSIKXTEBT-HUPKAIDTSA-N 1 3 338.323 2.910 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCOc1ccccc1 ZINC001135980940 1288706335 /nfs/dbraw/zinc/70/63/35/1288706335.db2.gz VCOZQKURMRMSGI-ROUUACIJSA-N 1 3 349.519 2.670 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135981009 1288706351 /nfs/dbraw/zinc/70/63/51/1288706351.db2.gz WGCZMWIRLCJSHE-ZWKOTPCHSA-N 1 3 333.520 2.752 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135981116 1288706426 /nfs/dbraw/zinc/70/64/26/1288706426.db2.gz YDKRZMRKNFFKOL-ROUUACIJSA-N 1 3 333.520 2.834 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001135981006 1288706906 /nfs/dbraw/zinc/70/69/06/1288706906.db2.gz WGCZMWIRLCJSHE-MSOLQXFVSA-N 1 3 333.520 2.752 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001135981118 1288707061 /nfs/dbraw/zinc/70/70/61/1288707061.db2.gz YERFALALQWQFQT-CVEARBPZSA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(OC)c1C ZINC001135981121 1288707076 /nfs/dbraw/zinc/70/70/76/1288707076.db2.gz YERFALALQWQFQT-JKSUJKDBSA-N 1 3 349.519 2.718 20 0 EFADHO COC[C@@H](C)[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178490222 1288802263 /nfs/dbraw/zinc/80/22/63/1288802263.db2.gz JIRNIJJRTMKOCT-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO CCOCC[NH2+]CCCCCCNC(=O)C(C)(C)N1CCCCC1 ZINC001178490724 1288802546 /nfs/dbraw/zinc/80/25/46/1288802546.db2.gz RHDABAGWRHIZAQ-UHFFFAOYSA-N 1 3 341.540 2.554 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]CCc2ccccc2)CCC1 ZINC001178687994 1288870550 /nfs/dbraw/zinc/87/05/50/1288870550.db2.gz BGUYEFQWKDZUJS-UHFFFAOYSA-N 1 3 345.531 2.980 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]CCCCCF)CCC1 ZINC001178693607 1288874458 /nfs/dbraw/zinc/87/44/58/1288874458.db2.gz XOGIHVIOFBTHDQ-UHFFFAOYSA-N 1 3 329.504 2.877 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CCc1ccccc1)C1CC1 ZINC001178698223 1288875861 /nfs/dbraw/zinc/87/58/61/1288875861.db2.gz CBZNVLONWHNZEI-FQEVSTJZSA-N 1 3 345.531 2.836 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001016250045 1312680061 /nfs/dbraw/zinc/68/00/61/1312680061.db2.gz MEDLUBVATPUNJQ-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001016250045 1312680064 /nfs/dbraw/zinc/68/00/64/1312680064.db2.gz MEDLUBVATPUNJQ-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251858 1312681110 /nfs/dbraw/zinc/68/11/10/1312681110.db2.gz YFDNFPIJCGBDBL-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C4CCC4)cc3)C2)C1 ZINC001016251858 1312681114 /nfs/dbraw/zinc/68/11/14/1312681114.db2.gz YFDNFPIJCGBDBL-PMACEKPBSA-N 1 3 341.499 2.596 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCCCCCNCc1cscn1 ZINC001178853652 1288944257 /nfs/dbraw/zinc/94/42/57/1288944257.db2.gz MUMNHDWJGFAZBS-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCCCCCNCc1cscn1 ZINC001178853652 1288944258 /nfs/dbraw/zinc/94/42/58/1288944258.db2.gz MUMNHDWJGFAZBS-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]CC=C(Cl)Cl)N(C)C ZINC001178816245 1288945825 /nfs/dbraw/zinc/94/58/25/1288945825.db2.gz YJIFGEVCWQBWGK-CYBMUJFWSA-N 1 3 338.323 2.912 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccccn3)cn2)CC1 ZINC001232362742 1312687264 /nfs/dbraw/zinc/68/72/64/1312687264.db2.gz FUISECVZGBSLGH-LJQANCHMSA-N 1 3 337.471 2.566 20 0 EFADHO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cn2)CC1 ZINC001232362742 1312687268 /nfs/dbraw/zinc/68/72/68/1312687268.db2.gz FUISECVZGBSLGH-LJQANCHMSA-N 1 3 337.471 2.566 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC(F)(F)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549549 1289186363 /nfs/dbraw/zinc/18/63/63/1289186363.db2.gz DRTLXBPAZCMQCN-ZFWWWQNUSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179549716 1289186555 /nfs/dbraw/zinc/18/65/55/1289186555.db2.gz HDHXLNMWCYVFTF-HOTGVXAUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@@H]1C)N(C)C ZINC001179550508 1289186592 /nfs/dbraw/zinc/18/65/92/1289186592.db2.gz YHWKGZMXDPVLDC-DGVWYTCWSA-N 1 3 329.488 2.619 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CCc2ccccc2)C1 ZINC001179586845 1289189614 /nfs/dbraw/zinc/18/96/14/1289189614.db2.gz UFDHSPCYHUKKLI-IBGZPJMESA-N 1 3 345.531 2.837 20 0 EFADHO Cc1ccncc1C[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580726 1289201980 /nfs/dbraw/zinc/20/19/80/1289201980.db2.gz NRLABEUREACPBN-GOSISDBHSA-N 1 3 346.519 2.641 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N3CCN(C)CC3)CC2)c1OC(C)C ZINC001232392217 1312692583 /nfs/dbraw/zinc/69/25/83/1312692583.db2.gz RSJRODFLGUABIU-UHFFFAOYSA-N 1 3 345.531 2.994 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001179744340 1289255228 /nfs/dbraw/zinc/25/52/28/1289255228.db2.gz LYLNTFBQTVCOEE-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C ZINC001179744488 1289255406 /nfs/dbraw/zinc/25/54/06/1289255406.db2.gz SOASWZBFXOYIQU-HKUYNNGSSA-N 1 3 331.504 2.540 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001179744233 1289255775 /nfs/dbraw/zinc/25/57/75/1289255775.db2.gz JCNVALVPCYHTGK-JVPBZIDWSA-N 1 3 347.478 2.734 20 0 EFADHO COC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001179746144 1289256848 /nfs/dbraw/zinc/25/68/48/1289256848.db2.gz PGFWIMJREUPZOU-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC001179763390 1289262281 /nfs/dbraw/zinc/26/22/81/1289262281.db2.gz KRXPDSHVCYBFOO-YJBOKZPZSA-N 1 3 343.471 2.854 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H]1C ZINC001179766034 1289264520 /nfs/dbraw/zinc/26/45/20/1289264520.db2.gz LVBODTCLQQBJAI-XHSDSOJGSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179982915 1289350883 /nfs/dbraw/zinc/35/08/83/1289350883.db2.gz HKTXONYTOFSPCH-AOIWGVFYSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@@H]1C ZINC001179982926 1289351049 /nfs/dbraw/zinc/35/10/49/1289351049.db2.gz HYPDGSIDVRBOPY-JVPBZIDWSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1ncc(C)s1 ZINC001179989223 1289355912 /nfs/dbraw/zinc/35/59/12/1289355912.db2.gz VCGXILSCUBINRZ-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1ncc(C)s1 ZINC001179989223 1289355924 /nfs/dbraw/zinc/35/59/24/1289355924.db2.gz VCGXILSCUBINRZ-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001232461646 1312709080 /nfs/dbraw/zinc/70/90/80/1312709080.db2.gz BXXXNKUWYOOUGR-DBVUQKKJSA-N 1 3 339.487 2.846 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001232461646 1312709082 /nfs/dbraw/zinc/70/90/82/1312709082.db2.gz BXXXNKUWYOOUGR-DBVUQKKJSA-N 1 3 339.487 2.846 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180222785 1289450203 /nfs/dbraw/zinc/45/02/03/1289450203.db2.gz TVTQWYUNOQGUET-LPHOPBHVSA-N 1 3 331.504 2.668 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)[C@@H]1C ZINC001180226573 1289450473 /nfs/dbraw/zinc/45/04/73/1289450473.db2.gz BCNFDRPCIHHWNK-XHSDSOJGSA-N 1 3 345.478 2.731 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c1 ZINC001180226613 1289450745 /nfs/dbraw/zinc/45/07/45/1289450745.db2.gz CZXVWBXNJHWVEA-AOIWGVFYSA-N 1 3 331.504 2.975 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226878 1289450785 /nfs/dbraw/zinc/45/07/85/1289450785.db2.gz RJVOMWUZIBPBQD-AOIWGVFYSA-N 1 3 331.504 2.975 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001180226796 1289451241 /nfs/dbraw/zinc/45/12/41/1289451241.db2.gz MXQWQENQCLKZKH-ZOCIIQOWSA-N 1 3 347.478 2.732 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001166004061 1312716852 /nfs/dbraw/zinc/71/68/52/1312716852.db2.gz DPHYLHIXFLFOAZ-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CCN(CC)CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001180389672 1289506725 /nfs/dbraw/zinc/50/67/25/1289506725.db2.gz OQTCVGAPORYVOV-QEUVDIPISA-N 1 3 345.531 2.750 20 0 EFADHO CCN(CC)CC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001180389672 1289506732 /nfs/dbraw/zinc/50/67/32/1289506732.db2.gz OQTCVGAPORYVOV-QEUVDIPISA-N 1 3 345.531 2.750 20 0 EFADHO Cc1cnc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)s1 ZINC001180369377 1289515184 /nfs/dbraw/zinc/51/51/84/1289515184.db2.gz BNBPHFNPSXAZJP-UHFFFAOYSA-N 1 3 340.537 2.558 20 0 EFADHO COc1cccc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)c1 ZINC001180369757 1289516039 /nfs/dbraw/zinc/51/60/39/1289516039.db2.gz VXEMHFPQWYOZFA-UHFFFAOYSA-N 1 3 349.519 2.802 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]CC=C(Cl)Cl ZINC001180369511 1289516140 /nfs/dbraw/zinc/51/61/40/1289516140.db2.gz JPOFOFYAXFAHQS-UHFFFAOYSA-N 1 3 338.323 2.912 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001166004046 1312716897 /nfs/dbraw/zinc/71/68/97/1312716897.db2.gz CWRYJTCPCNSPCS-LJQANCHMSA-N 1 3 333.520 2.794 20 0 EFADHO C[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC001180578369 1289560739 /nfs/dbraw/zinc/56/07/39/1289560739.db2.gz GNHAUZKFMGRKBD-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC001180578369 1289560745 /nfs/dbraw/zinc/56/07/45/1289560745.db2.gz GNHAUZKFMGRKBD-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F)N(C)C ZINC001166010158 1312717656 /nfs/dbraw/zinc/71/76/56/1312717656.db2.gz IXLRNYXQXQMYHV-CXAGYDPISA-N 1 3 341.446 2.708 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010190 1312717695 /nfs/dbraw/zinc/71/76/95/1312717695.db2.gz KCNWPVMNCTVPTJ-QGZVFWFLSA-N 1 3 339.911 2.831 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000873190161 1289631511 /nfs/dbraw/zinc/63/15/11/1289631511.db2.gz WMDMGMKDNATQSN-SESVDKBCSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H]1COCCN1CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000873190161 1289631517 /nfs/dbraw/zinc/63/15/17/1289631517.db2.gz WMDMGMKDNATQSN-SESVDKBCSA-N 1 3 345.531 2.740 20 0 EFADHO c1cnn(Cc2ccccc2CNCc2cc3c(s2)CC[NH2+]C3)c1 ZINC000873210759 1289646230 /nfs/dbraw/zinc/64/62/30/1289646230.db2.gz AKAXOIPQSRDERE-UHFFFAOYSA-N 1 3 338.480 2.928 20 0 EFADHO c1c(CN[C@H]2CCCCC23CC[NH2+]CC3)nnn1-c1ccccc1 ZINC000873232737 1289666898 /nfs/dbraw/zinc/66/68/98/1289666898.db2.gz KAOZOVJQVGFIGQ-SFHVURJKSA-N 1 3 325.460 2.669 20 0 EFADHO C[C@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)c(F)c(F)c1 ZINC000873289474 1289704734 /nfs/dbraw/zinc/70/47/34/1289704734.db2.gz IFMQIHGXKXMVIH-WCQYABFASA-N 1 3 328.378 2.913 20 0 EFADHO COc1ccc([C@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000873290548 1289705873 /nfs/dbraw/zinc/70/58/73/1289705873.db2.gz RISCUSOZBPSYJG-HOCLYGCPSA-N 1 3 334.460 2.513 20 0 EFADHO COc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1-n1cnc(C)c1 ZINC001232561553 1312733538 /nfs/dbraw/zinc/73/35/38/1312733538.db2.gz CNHJEJXQXDHUOE-MSOLQXFVSA-N 1 3 340.471 2.573 20 0 EFADHO COc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1-n1cnc(C)c1 ZINC001232561553 1312733540 /nfs/dbraw/zinc/73/35/40/1312733540.db2.gz CNHJEJXQXDHUOE-MSOLQXFVSA-N 1 3 340.471 2.573 20 0 EFADHO COc1cc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)ccc1-n1cnc(C)c1 ZINC001232564430 1312734189 /nfs/dbraw/zinc/73/41/89/1312734189.db2.gz JDTXRTZQEWZZSN-FQEVSTJZSA-N 1 3 340.471 2.717 20 0 EFADHO COc1cc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)ccc1-n1cnc(C)c1 ZINC001232564430 1312734193 /nfs/dbraw/zinc/73/41/93/1312734193.db2.gz JDTXRTZQEWZZSN-FQEVSTJZSA-N 1 3 340.471 2.717 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001181440320 1289807854 /nfs/dbraw/zinc/80/78/54/1289807854.db2.gz CYHTXPIJVATHLQ-ZECHFRALSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001181440316 1289808108 /nfs/dbraw/zinc/80/81/08/1289808108.db2.gz CYHTXPIJVATHLQ-FNVVLEBWSA-N 1 3 341.927 2.686 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001181670502 1289896307 /nfs/dbraw/zinc/89/63/07/1289896307.db2.gz BIJPRUHGAKZZJK-WSTZPKSXSA-N 1 3 335.536 2.901 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001181670463 1289896939 /nfs/dbraw/zinc/89/69/39/1289896939.db2.gz AHYVLMIPPFYINC-IMFGXOCKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CCCC1CCC1 ZINC001181755276 1289930044 /nfs/dbraw/zinc/93/00/44/1289930044.db2.gz LUHQBXGPUOMPSJ-LKUPVBHCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CCC(C)(C)C ZINC001181735781 1289936760 /nfs/dbraw/zinc/93/67/60/1289936760.db2.gz BEEIMXBANHUKPO-OXQOHEQNSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001181884099 1289988693 /nfs/dbraw/zinc/98/86/93/1289988693.db2.gz BCJJOUWQDNVYSH-XFQXTVEOSA-N 1 3 349.494 2.740 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181884605 1289990033 /nfs/dbraw/zinc/99/00/33/1289990033.db2.gz HBGNFDSINZFFJC-SZVBFZGTSA-N 1 3 325.541 2.837 20 0 EFADHO CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001181895955 1289992914 /nfs/dbraw/zinc/99/29/14/1289992914.db2.gz IGILEGBEORPKMC-ZHALLVOQSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC001181941701 1290007307 /nfs/dbraw/zinc/00/73/07/1290007307.db2.gz LWAYRRXHBCZREZ-DYESRHJHSA-N 1 3 345.531 2.991 20 0 EFADHO CN1CC2(C1)CC[NH+](Cc1c(Cl)c3ccccc3n(C)c1=O)CC2 ZINC001232645450 1312750725 /nfs/dbraw/zinc/75/07/25/1312750725.db2.gz ORTJESCRHFWXTP-UHFFFAOYSA-N 1 3 345.874 2.720 20 0 EFADHO Cn1c2ccccc2c(Cl)c(CN2CCC3(C[NH+](C)C3)CC2)c1=O ZINC001232645450 1312750728 /nfs/dbraw/zinc/75/07/28/1312750728.db2.gz ORTJESCRHFWXTP-UHFFFAOYSA-N 1 3 345.874 2.720 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001181983094 1290021539 /nfs/dbraw/zinc/02/15/39/1290021539.db2.gz VLDBALXBQWRZEA-RTBURBONSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1 ZINC001181983094 1290021548 /nfs/dbraw/zinc/02/15/48/1290021548.db2.gz VLDBALXBQWRZEA-RTBURBONSA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001181998088 1290032422 /nfs/dbraw/zinc/03/24/22/1290032422.db2.gz WGEQVZMVVKZWQA-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001181998088 1290032430 /nfs/dbraw/zinc/03/24/30/1290032430.db2.gz WGEQVZMVVKZWQA-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO C[NH+](C)C1(CC(=O)N[C@@H]2[C@H]3CN(Cc4ccsc4)C[C@H]32)CCCC1 ZINC001114629768 1290068575 /nfs/dbraw/zinc/06/85/75/1290068575.db2.gz NEPVPRRPAZCARR-VQFNDLOPSA-N 1 3 347.528 2.559 20 0 EFADHO CCCCN(CC)[C@H](C(=O)n1ccc(C[NH3+])cc1=N)c1ccccc1 ZINC001182231729 1290114375 /nfs/dbraw/zinc/11/43/75/1290114375.db2.gz AFGGNJVWCSOBLO-IBGZPJMESA-N 1 3 340.471 2.930 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623373 1290226174 /nfs/dbraw/zinc/22/61/74/1290226174.db2.gz LKQVBNXNLCKFDR-GPMSIDNRSA-N 1 3 341.515 2.541 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623159 1290226634 /nfs/dbraw/zinc/22/66/34/1290226634.db2.gz DYTNSYOHUWRHRE-MBOZVWFJSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@H](F)CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623736 1290228085 /nfs/dbraw/zinc/22/80/85/1290228085.db2.gz UUVBOUNVZDNQSW-JTDSTZFVSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC3CC(C)(C)C3)C2)C1 ZINC001182630454 1290229304 /nfs/dbraw/zinc/22/93/04/1290229304.db2.gz WSMIYWIYEPCTKV-CSODHUTKSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@@H]1CN(CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903494350 1312768017 /nfs/dbraw/zinc/76/80/17/1312768017.db2.gz DHDLYHMKQHIJOT-VXGBXAGGSA-N 1 3 343.443 2.857 20 0 EFADHO C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCCC2)CCN1Cc1ccccc1 ZINC001413059914 1312769504 /nfs/dbraw/zinc/76/95/04/1312769504.db2.gz OJMNTDHEZWNNMQ-FUHWJXTLSA-N 1 3 329.488 2.640 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001183239809 1290316917 /nfs/dbraw/zinc/31/69/17/1290316917.db2.gz JUOWYSHJMLGJAN-YLJYHZDGSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)C1CCC1 ZINC001183288733 1290322849 /nfs/dbraw/zinc/32/28/49/1290322849.db2.gz MJLBGFWDFVKTNC-CEQQRPIWSA-N 1 3 341.499 2.765 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001037130717 1290342419 /nfs/dbraw/zinc/34/24/19/1290342419.db2.gz ISARSSIXYSZIIM-QZTJIDSGSA-N 1 3 340.471 2.644 20 0 EFADHO CN1CCC(N(Cc2ccc(F)cc2)C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001183374684 1290343112 /nfs/dbraw/zinc/34/31/12/1290343112.db2.gz KVTLANXGMREEKQ-UWUNEBHHSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001183436605 1290347676 /nfs/dbraw/zinc/34/76/76/1290347676.db2.gz OPCURKTYOXBFDT-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001183516879 1290352899 /nfs/dbraw/zinc/35/28/99/1290352899.db2.gz CFGMURYRSODKPF-WSTZPKSXSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NCCCNCc1cccc(F)c1F)[NH+](CC)CC ZINC001166433015 1312776028 /nfs/dbraw/zinc/77/60/28/1312776028.db2.gz UYPHGCBYYSVJEN-INIZCTEOSA-N 1 3 341.446 2.681 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@]1(C)C[NH2+]CC1CC1 ZINC001183510283 1290358415 /nfs/dbraw/zinc/35/84/15/1290358415.db2.gz SLJXEARCMVUNFP-IIBYNOLFSA-N 1 3 343.515 2.846 20 0 EFADHO CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000874841235 1290386960 /nfs/dbraw/zinc/38/69/60/1290386960.db2.gz AQFXOQBJFMLZQS-OALUTQOASA-N 1 3 327.472 2.591 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841235 1290386971 /nfs/dbraw/zinc/38/69/71/1290386971.db2.gz AQFXOQBJFMLZQS-OALUTQOASA-N 1 3 327.472 2.591 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cccc(CN2CCCC2)c1 ZINC000874841235 1290386982 /nfs/dbraw/zinc/38/69/82/1290386982.db2.gz AQFXOQBJFMLZQS-OALUTQOASA-N 1 3 327.472 2.591 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000874845522 1290392491 /nfs/dbraw/zinc/39/24/91/1290392491.db2.gz VTGISGGHWGEYTF-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000874845522 1290392500 /nfs/dbraw/zinc/39/25/00/1290392500.db2.gz VTGISGGHWGEYTF-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001184578871 1290476695 /nfs/dbraw/zinc/47/66/95/1290476695.db2.gz ZLIVAOZBSMBHED-VGRIIWOTSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001184710884 1290496899 /nfs/dbraw/zinc/49/68/99/1290496899.db2.gz ADSIYPSACYIBBE-UEDYQVLESA-N 1 3 329.916 2.543 20 0 EFADHO Fc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903508635 1312788600 /nfs/dbraw/zinc/78/86/00/1312788600.db2.gz OZJQMUIDLSLXCT-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903508635 1312788604 /nfs/dbraw/zinc/78/86/04/1312788604.db2.gz OZJQMUIDLSLXCT-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO Fc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903508635 1312788608 /nfs/dbraw/zinc/78/86/08/1312788608.db2.gz OZJQMUIDLSLXCT-CALCHBBNSA-N 1 3 337.870 2.880 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c(Cl)c1 ZINC000903508439 1312788821 /nfs/dbraw/zinc/78/88/21/1312788821.db2.gz GYZZFCLAZOCWST-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c(Cl)c1 ZINC000903508439 1312788826 /nfs/dbraw/zinc/78/88/26/1312788826.db2.gz GYZZFCLAZOCWST-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(Cl)c1 ZINC000903508439 1312788830 /nfs/dbraw/zinc/78/88/30/1312788830.db2.gz GYZZFCLAZOCWST-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001185213384 1290622973 /nfs/dbraw/zinc/62/29/73/1290622973.db2.gz CYIXURNVYCGYFZ-DOTOQJQBSA-N 1 3 332.492 2.607 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037157637 1290636851 /nfs/dbraw/zinc/63/68/51/1290636851.db2.gz PHAZJYXCZXLUFY-HOTGVXAUSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037157633 1290636950 /nfs/dbraw/zinc/63/69/50/1290636950.db2.gz PHAZJYXCZXLUFY-CVEARBPZSA-N 1 3 332.492 2.571 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)[C@@H](C)C1 ZINC001185349833 1290648464 /nfs/dbraw/zinc/64/84/64/1290648464.db2.gz YMMFVTKJHPXJRG-PKOBYXMFSA-N 1 3 335.536 2.903 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@@H](C)C1 ZINC001185361143 1290650931 /nfs/dbraw/zinc/65/09/31/1290650931.db2.gz VDVMJUUQAJUXLO-IRXDYDNUSA-N 1 3 329.504 2.542 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CCC3CC3)[C@@H](C)C2)CC1 ZINC001185361180 1290651499 /nfs/dbraw/zinc/65/14/99/1290651499.db2.gz VTDPONRPPSXVFV-PKOBYXMFSA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001185338167 1290655558 /nfs/dbraw/zinc/65/55/58/1290655558.db2.gz PQIQFMWPGODVSW-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001037158600 1290689697 /nfs/dbraw/zinc/68/96/97/1290689697.db2.gz UDVAKFBMSJETQK-DLBZAZTESA-N 1 3 344.503 2.715 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(F)c1Cl ZINC001166627660 1312806517 /nfs/dbraw/zinc/80/65/17/1312806517.db2.gz YSSPQCVFRCLPQA-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247935353 1290693654 /nfs/dbraw/zinc/69/36/54/1290693654.db2.gz CJXLQRDHFMGNAH-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247935353 1290693665 /nfs/dbraw/zinc/69/36/65/1290693665.db2.gz CJXLQRDHFMGNAH-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001166627079 1312806541 /nfs/dbraw/zinc/80/65/41/1312806541.db2.gz PLTCTEUEMZDALD-OAHLLOKOSA-N 1 3 345.512 2.982 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(F)c2)[C@@H](C)C1 ZINC001185551275 1290706486 /nfs/dbraw/zinc/70/64/86/1290706486.db2.gz YUJXCJFXPCTAEU-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC001185547510 1290718956 /nfs/dbraw/zinc/71/89/56/1290718956.db2.gz IGOQZMXPJBONSI-AZUAARDMSA-N 1 3 345.531 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001185547824 1290719386 /nfs/dbraw/zinc/71/93/86/1290719386.db2.gz JZHZBEVNGYLANU-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1 ZINC001166626259 1312805645 /nfs/dbraw/zinc/80/56/45/1312805645.db2.gz CWJYVZSQLSOSKO-CRAIPNDOSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CC/C=C/c1ccccc1 ZINC001166627273 1312806635 /nfs/dbraw/zinc/80/66/35/1312806635.db2.gz UKKZWTFYTOPXDU-VRQAPCGNSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1C[NH2+]CCCF ZINC001185741287 1290754732 /nfs/dbraw/zinc/75/47/32/1290754732.db2.gz IOFWYWUTXWECOQ-LPHOPBHVSA-N 1 3 349.494 2.796 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185749148 1290754922 /nfs/dbraw/zinc/75/49/22/1290754922.db2.gz AADWKXHFYQWVJG-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001166627669 1312806462 /nfs/dbraw/zinc/80/64/62/1312806462.db2.gz ZBNQAEAWTQLRSW-KDOFPFPSSA-N 1 3 349.906 2.908 20 0 EFADHO CCC[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001185752807 1290763686 /nfs/dbraw/zinc/76/36/86/1290763686.db2.gz UWQIROYWNSLAMS-SJORKVTESA-N 1 3 331.504 2.846 20 0 EFADHO CCC[NH2+]C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C ZINC001185752801 1290764276 /nfs/dbraw/zinc/76/42/76/1290764276.db2.gz UWQIROYWNSLAMS-DLBZAZTESA-N 1 3 331.504 2.846 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001185752872 1290764418 /nfs/dbraw/zinc/76/44/18/1290764418.db2.gz VSRBXVHESYYWTD-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001166626801 1312806842 /nfs/dbraw/zinc/80/68/42/1312806842.db2.gz JLQNTOLLYLVXLE-MRXNPFEDSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc2c(c1)CCC2 ZINC001166627019 1312806966 /nfs/dbraw/zinc/80/69/66/1312806966.db2.gz OBRURLXJCILBNI-IAGOWNOFSA-N 1 3 343.515 2.817 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001166668172 1312814847 /nfs/dbraw/zinc/81/48/47/1312814847.db2.gz UHXMDGDCOOVSQF-CABCVRRESA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1cccc(Cl)c1 ZINC001166668174 1312814965 /nfs/dbraw/zinc/81/49/65/1312814965.db2.gz UHXMDGDCOOVSQF-HUUCEWRRSA-N 1 3 337.895 2.839 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001166676859 1312817162 /nfs/dbraw/zinc/81/71/62/1312817162.db2.gz DJWVGNGTMXTBPO-BEFAXECRSA-N 1 3 347.478 2.641 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c1 ZINC001166677813 1312817692 /nfs/dbraw/zinc/81/76/92/1312817692.db2.gz NPRILHNORKZEJM-SJLPKXTDSA-N 1 3 331.504 2.802 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC2CC(C)(C)C2)C1 ZINC001166686726 1312820759 /nfs/dbraw/zinc/82/07/59/1312820759.db2.gz FOFTWGASQNNIAF-IBGZPJMESA-N 1 3 341.515 2.731 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001186452253 1290955789 /nfs/dbraw/zinc/95/57/89/1290955789.db2.gz NCHIVCHNPCZPQQ-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001186488161 1290963926 /nfs/dbraw/zinc/96/39/26/1290963926.db2.gz NDHVSFXCOOBNOT-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001186604268 1290998341 /nfs/dbraw/zinc/99/83/41/1290998341.db2.gz CIAMLSRQSWBWMX-KRWDZBQOSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC([C@H]2CCCN(CCF)CC2)CC1 ZINC001186604268 1290998347 /nfs/dbraw/zinc/99/83/47/1290998347.db2.gz CIAMLSRQSWBWMX-KRWDZBQOSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001186824675 1291023418 /nfs/dbraw/zinc/02/34/18/1291023418.db2.gz FMPVPZDSVUUSPY-MRXNPFEDSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(C)cc2Cl)C1 ZINC001186824675 1291023430 /nfs/dbraw/zinc/02/34/30/1291023430.db2.gz FMPVPZDSVUUSPY-MRXNPFEDSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001186824695 1291024231 /nfs/dbraw/zinc/02/42/31/1291024231.db2.gz GJQDSNYGOOVCGJ-OAHLLOKOSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2c(C)cccc2Cl)C1 ZINC001186824695 1291024243 /nfs/dbraw/zinc/02/42/43/1291024243.db2.gz GJQDSNYGOOVCGJ-OAHLLOKOSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001186825067 1291025892 /nfs/dbraw/zinc/02/58/92/1291025892.db2.gz XWUGYJHUSYRTFJ-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCc2ccc(F)c(Cl)c2)C1 ZINC001186825067 1291025905 /nfs/dbraw/zinc/02/59/05/1291025905.db2.gz XWUGYJHUSYRTFJ-CQSZACIVSA-N 1 3 341.858 2.511 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccccc1 ZINC001166736728 1312832291 /nfs/dbraw/zinc/83/22/91/1312832291.db2.gz SEEFAHQMXBEWEH-GOSISDBHSA-N 1 3 331.504 2.966 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166744033 1312832608 /nfs/dbraw/zinc/83/26/08/1312832608.db2.gz DMCWRQVBNVPXBP-UHFFFAOYSA-N 1 3 333.520 2.877 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC001166743982 1312832699 /nfs/dbraw/zinc/83/26/99/1312832699.db2.gz BVBVYPXTNHFJMJ-HNNXBMFYSA-N 1 3 335.467 2.715 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c(C)c1 ZINC001166744015 1312832711 /nfs/dbraw/zinc/83/27/11/1312832711.db2.gz CSVVDKQWPBMTFB-UHFFFAOYSA-N 1 3 345.531 2.940 20 0 EFADHO COc1cccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1C ZINC001166744097 1312832852 /nfs/dbraw/zinc/83/28/52/1312832852.db2.gz HIIVFFZWBHQAEE-UHFFFAOYSA-N 1 3 349.519 2.577 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC(C)(C)C1)c1cccc(F)c1 ZINC001166744272 1312833200 /nfs/dbraw/zinc/83/32/00/1312833200.db2.gz OLCUYXGTYJMFFO-HNNXBMFYSA-N 1 3 335.467 2.715 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166744515 1312833621 /nfs/dbraw/zinc/83/36/21/1312833621.db2.gz YFFLYVAYYONQEG-UHFFFAOYSA-N 1 3 333.520 2.877 20 0 EFADHO COc1ccc(C[NH2+]C2CCN(CC(C)(C)O)CC2)cc1Cl ZINC000877109511 1291137302 /nfs/dbraw/zinc/13/73/02/1291137302.db2.gz NHKIQCRVKIWWBM-UHFFFAOYSA-N 1 3 326.868 2.674 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1 ZINC001187291568 1291139482 /nfs/dbraw/zinc/13/94/82/1291139482.db2.gz VIVCVHREPTUKRY-QGZVFWFLSA-N 1 3 337.895 2.681 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001187322634 1291143579 /nfs/dbraw/zinc/14/35/79/1291143579.db2.gz PLVZFNFOUQVLJQ-KOTDBNOLSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001187322141 1291143639 /nfs/dbraw/zinc/14/36/39/1291143639.db2.gz LESNFHVKASWFPL-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC001187322165 1291144104 /nfs/dbraw/zinc/14/41/04/1291144104.db2.gz MAAJSYLELRQWAR-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001187322140 1291144353 /nfs/dbraw/zinc/14/43/53/1291144353.db2.gz LESNFHVKASWFPL-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001187321934 1291144531 /nfs/dbraw/zinc/14/45/31/1291144531.db2.gz IRIQWNISSQWHBN-KDOFPFPSSA-N 1 3 349.906 2.860 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCCc2ccsc2)C1 ZINC001166765072 1312838175 /nfs/dbraw/zinc/83/81/75/1312838175.db2.gz QBTDBBMYESFTLB-UHFFFAOYSA-N 1 3 337.533 2.509 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001166765284 1312838227 /nfs/dbraw/zinc/83/82/27/1312838227.db2.gz WCDQBHRFKXLFGC-HNNXBMFYSA-N 1 3 345.478 2.640 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccccc2Cl)C1 ZINC001166765078 1312838413 /nfs/dbraw/zinc/83/84/13/1312838413.db2.gz QNIGXTIAZSNMAD-UHFFFAOYSA-N 1 3 337.895 2.668 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000877408608 1291227546 /nfs/dbraw/zinc/22/75/46/1291227546.db2.gz HESYTVUMBUAYGP-MSOLQXFVSA-N 1 3 327.472 2.650 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000877450997 1291238404 /nfs/dbraw/zinc/23/84/04/1291238404.db2.gz KALOTTGGBSVYFQ-UXHICEINSA-N 1 3 341.499 2.537 20 0 EFADHO CCOc1cccc(F)c1CN(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526295 1291260033 /nfs/dbraw/zinc/26/00/33/1291260033.db2.gz REMFMIPPXRUGSP-QGZVFWFLSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC001188139892 1291316125 /nfs/dbraw/zinc/31/61/25/1291316125.db2.gz UMXKNQFWSRSJIU-WMLDXEAASA-N 1 3 337.895 2.932 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001188139660 1291316699 /nfs/dbraw/zinc/31/66/99/1291316699.db2.gz QURRDNJNELOPIV-FZTBYCBGSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957279997 1291320188 /nfs/dbraw/zinc/32/01/88/1291320188.db2.gz SYWNJJUKABEQLK-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001188158026 1291334192 /nfs/dbraw/zinc/33/41/92/1291334192.db2.gz DOMCPVBOBLPPQB-MRXNPFEDSA-N 1 3 339.430 2.655 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001188158289 1291334865 /nfs/dbraw/zinc/33/48/65/1291334865.db2.gz KGAALTMMLREAJZ-BQHJZSHBSA-N 1 3 329.488 2.621 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(C/C=C/c3ccccc3)C[C@H]21 ZINC001188956017 1291526677 /nfs/dbraw/zinc/52/66/77/1291526677.db2.gz BVCKVAWEHOYLQE-HZQWVYJSSA-N 1 3 341.499 2.574 20 0 EFADHO C[C@H](c1cccc(F)c1)N1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188970008 1291531789 /nfs/dbraw/zinc/53/17/89/1291531789.db2.gz DNQNSOIIFCEOLS-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO CCn1ccnc1C[NH2+][C@@]12CC[C@@](Nc3cncn3C)(C1)CCC2 ZINC001277769402 1312867466 /nfs/dbraw/zinc/86/74/66/1312867466.db2.gz BGWOSTXANZORCV-ZWKOTPCHSA-N 1 3 328.464 2.684 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957516746 1291698143 /nfs/dbraw/zinc/69/81/43/1291698143.db2.gz BBMUZFLSFHAJKX-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000957517638 1291699354 /nfs/dbraw/zinc/69/93/54/1291699354.db2.gz ZRDUYWCLMNUKPW-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957517489 1291700002 /nfs/dbraw/zinc/70/00/02/1291700002.db2.gz SUUXZBXHPUNTBY-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC000957559896 1291766609 /nfs/dbraw/zinc/76/66/09/1291766609.db2.gz PLGYTBZAYQIHTA-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC000957560440 1291767209 /nfs/dbraw/zinc/76/72/09/1291767209.db2.gz ZWWSPMBEAUFFPP-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001189669630 1291794426 /nfs/dbraw/zinc/79/44/26/1291794426.db2.gz YEGVFGYEWLSUMN-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21 ZINC001189669630 1291794433 /nfs/dbraw/zinc/79/44/33/1291794433.db2.gz YEGVFGYEWLSUMN-VDZJLULYSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001189660787 1291807711 /nfs/dbraw/zinc/80/77/11/1291807711.db2.gz WYGYITTVYROTME-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(Cc3cc(F)ccc3C)C[C@H]21 ZINC001189660787 1291807719 /nfs/dbraw/zinc/80/77/19/1291807719.db2.gz WYGYITTVYROTME-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC000957605967 1291859457 /nfs/dbraw/zinc/85/94/57/1291859457.db2.gz SEYDXSNGDBXEKR-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC=C(C)C)CC2)N(C)C ZINC000957605962 1291860123 /nfs/dbraw/zinc/86/01/23/1291860123.db2.gz RXGPNDSFDUOVEA-SFHVURJKSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC[C@H](C)F)CC2)N(C)C ZINC000957606052 1291861399 /nfs/dbraw/zinc/86/13/99/1291861399.db2.gz XHYMVEYMPYPUGK-IRXDYDNUSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001167044603 1312888631 /nfs/dbraw/zinc/88/86/31/1312888631.db2.gz LMYORYGEGCLXCK-MRXNPFEDSA-N 1 3 337.533 2.710 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957647725 1291959830 /nfs/dbraw/zinc/95/98/30/1291959830.db2.gz TYGQTBPIHZZDJS-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114794071 1292020479 /nfs/dbraw/zinc/02/04/79/1292020479.db2.gz BOAIYDKOQWKFAK-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21)N(C)C ZINC001114794071 1292020485 /nfs/dbraw/zinc/02/04/85/1292020485.db2.gz BOAIYDKOQWKFAK-YDZRNGNQSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@H](C(=O)N(C)Cc1ccccc1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248571 1292041218 /nfs/dbraw/zinc/04/12/18/1292041218.db2.gz PQMLTYQFILQILI-GOSISDBHSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](C(=O)NCC1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248855 1292041464 /nfs/dbraw/zinc/04/14/64/1292041464.db2.gz WMHMOTMKVKPTKP-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[C@@]2(C)CCCN2CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000879388570 1292101745 /nfs/dbraw/zinc/10/17/45/1292101745.db2.gz FLCMVIFMGOZAJO-OAQYLSRUSA-N 1 3 343.515 2.602 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016652331 1312904402 /nfs/dbraw/zinc/90/44/02/1312904402.db2.gz RODYFGMBCAMGME-VFXWJFPTSA-N 1 3 339.911 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(C/C=C/Cl)CC2 ZINC001016652331 1312904405 /nfs/dbraw/zinc/90/44/05/1312904405.db2.gz RODYFGMBCAMGME-VFXWJFPTSA-N 1 3 339.911 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016652263 1312904636 /nfs/dbraw/zinc/90/46/36/1312904636.db2.gz PXHNKOAYUZWHPC-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049477760 1312905186 /nfs/dbraw/zinc/90/51/86/1312905186.db2.gz IZWJUTRHMFHBMX-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049477760 1312905193 /nfs/dbraw/zinc/90/51/93/1312905193.db2.gz IZWJUTRHMFHBMX-QZTJIDSGSA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001190436306 1292175141 /nfs/dbraw/zinc/17/51/41/1292175141.db2.gz SXFLPZJZHYPQNV-ROUUACIJSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190436306 1292175144 /nfs/dbraw/zinc/17/51/44/1292175144.db2.gz SXFLPZJZHYPQNV-ROUUACIJSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001190436304 1292175362 /nfs/dbraw/zinc/17/53/62/1292175362.db2.gz SXFLPZJZHYPQNV-MSOLQXFVSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190436304 1292175368 /nfs/dbraw/zinc/17/53/68/1292175368.db2.gz SXFLPZJZHYPQNV-MSOLQXFVSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001190436221 1292175408 /nfs/dbraw/zinc/17/54/08/1292175408.db2.gz SJJZYYAERDPSAG-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001190436221 1292175414 /nfs/dbraw/zinc/17/54/14/1292175414.db2.gz SJJZYYAERDPSAG-RTBURBONSA-N 1 3 349.494 2.708 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753234 1292191642 /nfs/dbraw/zinc/19/16/42/1292191642.db2.gz DQZIJKJQBHCNPO-PGYGNJIDSA-N 1 3 349.563 2.935 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000957753234 1292191649 /nfs/dbraw/zinc/19/16/49/1292191649.db2.gz DQZIJKJQBHCNPO-PGYGNJIDSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655851 1292268046 /nfs/dbraw/zinc/26/80/46/1292268046.db2.gz QLBPBHJVSXXVPK-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655851 1292268054 /nfs/dbraw/zinc/26/80/54/1292268054.db2.gz QLBPBHJVSXXVPK-RTBURBONSA-N 1 3 333.520 2.892 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CCC1 ZINC001190674494 1292280293 /nfs/dbraw/zinc/28/02/93/1292280293.db2.gz BDURRWQCZWCIRJ-OAHLLOKOSA-N 1 3 349.441 2.736 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CCC1 ZINC001190674494 1292280300 /nfs/dbraw/zinc/28/03/00/1292280300.db2.gz BDURRWQCZWCIRJ-OAHLLOKOSA-N 1 3 349.441 2.736 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@@H+]1C ZINC001049487269 1312915092 /nfs/dbraw/zinc/91/50/92/1312915092.db2.gz SOSIHYLCMIPKNV-BGTYHANMSA-N 1 3 347.528 2.654 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]3[C@@H]2CCN3Cc2ccsc2)CC[N@H+]1C ZINC001049487269 1312915094 /nfs/dbraw/zinc/91/50/94/1312915094.db2.gz SOSIHYLCMIPKNV-BGTYHANMSA-N 1 3 347.528 2.654 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001190778096 1292311259 /nfs/dbraw/zinc/31/12/59/1292311259.db2.gz YMYHTCOGHZAMEG-ODEHLZOCSA-N 1 3 343.515 2.819 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001190899382 1292371808 /nfs/dbraw/zinc/37/18/08/1292371808.db2.gz JFRLJVHDHWTAPK-WOJBJXKFSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCc2ccccc2)C1)N(C)C ZINC001190899382 1292371818 /nfs/dbraw/zinc/37/18/18/1292371818.db2.gz JFRLJVHDHWTAPK-WOJBJXKFSA-N 1 3 345.531 2.882 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001191029114 1292432012 /nfs/dbraw/zinc/43/20/12/1292432012.db2.gz FZJOVRPMIXXYEZ-INIZCTEOSA-N 1 3 337.533 2.820 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2csc(C)c2)C1 ZINC001191029114 1292432015 /nfs/dbraw/zinc/43/20/15/1292432015.db2.gz FZJOVRPMIXXYEZ-INIZCTEOSA-N 1 3 337.533 2.820 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001203443610 1312926005 /nfs/dbraw/zinc/92/60/05/1312926005.db2.gz XHWLHQXAODSWBT-OAHLLOKOSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC001203455567 1312929105 /nfs/dbraw/zinc/92/91/05/1312929105.db2.gz GFBIBRCYQDRSHF-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC1(N2CCC2)CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000880472240 1292512306 /nfs/dbraw/zinc/51/23/06/1292512306.db2.gz HCWRSBNIFVPGLG-UHFFFAOYSA-N 1 3 347.528 2.583 20 0 EFADHO COc1ccc(NC(=O)CC[NH+]2CCC(C)(N3CCC3)CC2)cc1 ZINC000880474138 1292513654 /nfs/dbraw/zinc/51/36/54/1292513654.db2.gz DIJIOYBVPYVZEC-UHFFFAOYSA-N 1 3 331.460 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001049505661 1312938979 /nfs/dbraw/zinc/93/89/79/1312938979.db2.gz RLXBNQOZMBJDJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049505661 1312938983 /nfs/dbraw/zinc/93/89/83/1312938983.db2.gz RLXBNQOZMBJDJQ-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C12CCC2 ZINC001203519969 1312944433 /nfs/dbraw/zinc/94/44/33/1312944433.db2.gz BZGRCHIDXXOAKU-ZWKOTPCHSA-N 1 3 347.547 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203513887 1312942624 /nfs/dbraw/zinc/94/26/24/1312942624.db2.gz ITTPJZSFMTZMFN-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203515189 1312943054 /nfs/dbraw/zinc/94/30/54/1312943054.db2.gz QMWHILDTCHPFRC-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203515214 1312943229 /nfs/dbraw/zinc/94/32/29/1312943229.db2.gz REEYLZIFWWAQQE-MSOLQXFVSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2cccs2)C12CCC2 ZINC001203520724 1312945209 /nfs/dbraw/zinc/94/52/09/1312945209.db2.gz HMYRPVXWVDJXJV-DLBZAZTESA-N 1 3 349.544 2.649 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152415 1292794786 /nfs/dbraw/zinc/79/47/86/1292794786.db2.gz HBFYNWJZTJXHGO-ZFWWWQNUSA-N 1 3 339.430 2.510 20 0 EFADHO C[C@H]([NH2+]CCOc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775506778 1292808204 /nfs/dbraw/zinc/80/82/04/1292808204.db2.gz DJLCMWDYQNEBDC-HKUYNNGSSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@H](NCCOc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775506778 1292808215 /nfs/dbraw/zinc/80/82/15/1292808215.db2.gz DJLCMWDYQNEBDC-HKUYNNGSSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@H](NCCOc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775506778 1292808224 /nfs/dbraw/zinc/80/82/24/1292808224.db2.gz DJLCMWDYQNEBDC-HKUYNNGSSA-N 1 3 325.456 2.961 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001192190446 1292811711 /nfs/dbraw/zinc/81/17/11/1292811711.db2.gz PVCUIXPJSXNEFC-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001192190446 1292811724 /nfs/dbraw/zinc/81/17/24/1292811724.db2.gz PVCUIXPJSXNEFC-DLBZAZTESA-N 1 3 325.541 2.932 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001276333422 1292835540 /nfs/dbraw/zinc/83/55/40/1292835540.db2.gz SHBVALYROHDMLW-CYBMUJFWSA-N 1 3 331.913 2.680 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760919 1312963726 /nfs/dbraw/zinc/96/37/26/1312963726.db2.gz FBRMABFADMYKPN-JKSUJKDBSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2)[NH+]1CCCC1 ZINC001016762296 1312964791 /nfs/dbraw/zinc/96/47/91/1312964791.db2.gz YLQWCUNSNBKCLC-GTBONMDNSA-N 1 3 339.911 2.584 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203652114 1312981922 /nfs/dbraw/zinc/98/19/22/1312981922.db2.gz RSBSODSCLYFMPK-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001192948034 1293108756 /nfs/dbraw/zinc/10/87/56/1293108756.db2.gz NZPONZBOGJSECV-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCCc3ccccc32)C1 ZINC001192948034 1293108759 /nfs/dbraw/zinc/10/87/59/1293108759.db2.gz NZPONZBOGJSECV-ICSRJNTNSA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203640530 1312978289 /nfs/dbraw/zinc/97/82/89/1312978289.db2.gz DCRVWGVVRCEJST-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001192969465 1293127241 /nfs/dbraw/zinc/12/72/41/1293127241.db2.gz KKTRFNUPDYUUFQ-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001192969465 1293127245 /nfs/dbraw/zinc/12/72/45/1293127245.db2.gz KKTRFNUPDYUUFQ-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001192969989 1293128095 /nfs/dbraw/zinc/12/80/95/1293128095.db2.gz PAVHXOUWIWUOAF-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001192969989 1293128097 /nfs/dbraw/zinc/12/80/97/1293128097.db2.gz PAVHXOUWIWUOAF-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203642296 1312979044 /nfs/dbraw/zinc/97/90/44/1312979044.db2.gz XZSHZHLMSCZNGN-ROUUACIJSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203649356 1312980324 /nfs/dbraw/zinc/98/03/24/1312980324.db2.gz ASYXHJOMBCCQBX-ROUUACIJSA-N 1 3 333.520 2.846 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2csc(C)c2)C12CCC2 ZINC001203650678 1312980862 /nfs/dbraw/zinc/98/08/62/1312980862.db2.gz JEXAKRXRXOZZRC-DLBZAZTESA-N 1 3 349.544 2.915 20 0 EFADHO CCc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273651903 1293166141 /nfs/dbraw/zinc/16/61/41/1293166141.db2.gz WQTFGTZBTRCFJA-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001273651903 1293166145 /nfs/dbraw/zinc/16/61/45/1293166145.db2.gz WQTFGTZBTRCFJA-NRFANRHFSA-N 1 3 343.515 2.768 20 0 EFADHO CCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661382 1312983500 /nfs/dbraw/zinc/98/35/00/1312983500.db2.gz UPQAZNWOMBZKIC-IRXDYDNUSA-N 1 3 332.492 2.858 20 0 EFADHO CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203662039 1312984094 /nfs/dbraw/zinc/98/40/94/1312984094.db2.gz XMGFJCGXPWEBCX-IRXDYDNUSA-N 1 3 332.492 2.714 20 0 EFADHO CC1([NH+]2CCC2)CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000882501807 1293227832 /nfs/dbraw/zinc/22/78/32/1293227832.db2.gz DPULOCRWLLUPIF-UHFFFAOYSA-N 1 3 341.499 2.983 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193279984 1293232544 /nfs/dbraw/zinc/23/25/44/1293232544.db2.gz SAVZKIVJWKXJGU-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193279984 1293232546 /nfs/dbraw/zinc/23/25/46/1293232546.db2.gz SAVZKIVJWKXJGU-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001193292398 1293237303 /nfs/dbraw/zinc/23/73/03/1293237303.db2.gz OCXOJNPSAWTJMS-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC001193292398 1293237309 /nfs/dbraw/zinc/23/73/09/1293237309.db2.gz OCXOJNPSAWTJMS-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193291242 1293237692 /nfs/dbraw/zinc/23/76/92/1293237692.db2.gz GXNYJLQJHKOZGB-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193291242 1293237699 /nfs/dbraw/zinc/23/76/99/1293237699.db2.gz GXNYJLQJHKOZGB-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CN(C/C=C\c1ccccc1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193571040 1293347448 /nfs/dbraw/zinc/34/74/48/1293347448.db2.gz PSNRYJKAFJUTNE-DBBZSVRUSA-N 1 3 343.515 2.964 20 0 EFADHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC001203708898 1312995726 /nfs/dbraw/zinc/99/57/26/1312995726.db2.gz RVTKVIHCITUZTG-GOSISDBHSA-N 1 3 330.472 2.844 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1 ZINC001193621891 1293370313 /nfs/dbraw/zinc/37/03/13/1293370313.db2.gz JKTFTGYDCFFPNA-GOSISDBHSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001193621891 1293370321 /nfs/dbraw/zinc/37/03/21/1293370321.db2.gz JKTFTGYDCFFPNA-GOSISDBHSA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193642348 1293382269 /nfs/dbraw/zinc/38/22/69/1293382269.db2.gz MQPQZKAPVIOZKA-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(C)c2)C1 ZINC001193642348 1293382277 /nfs/dbraw/zinc/38/22/77/1293382277.db2.gz MQPQZKAPVIOZKA-HKUYNNGSSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001193642055 1293382396 /nfs/dbraw/zinc/38/23/96/1293382396.db2.gz KZIBFYKOGXVVCV-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001193642055 1293382401 /nfs/dbraw/zinc/38/24/01/1293382401.db2.gz KZIBFYKOGXVVCV-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001193643519 1293384427 /nfs/dbraw/zinc/38/44/27/1293384427.db2.gz VQFGFIQIPBBJPM-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001193643519 1293384434 /nfs/dbraw/zinc/38/44/34/1293384434.db2.gz VQFGFIQIPBBJPM-HKUYNNGSSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193643688 1293385192 /nfs/dbraw/zinc/38/51/92/1293385192.db2.gz YVBVZRSHIWNTSO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001193643688 1293385201 /nfs/dbraw/zinc/38/52/01/1293385201.db2.gz YVBVZRSHIWNTSO-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193643704 1293385490 /nfs/dbraw/zinc/38/54/90/1293385490.db2.gz ZGRLXQOTUQDWFE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001193643704 1293385499 /nfs/dbraw/zinc/38/54/99/1293385499.db2.gz ZGRLXQOTUQDWFE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193601092 1293388531 /nfs/dbraw/zinc/38/85/31/1293388531.db2.gz RVWRRJMCJBODRZ-OJLWIZQOSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)C/C=C/c2ccccc2)C1 ZINC001193601092 1293388534 /nfs/dbraw/zinc/38/85/34/1293388534.db2.gz RVWRRJMCJBODRZ-OJLWIZQOSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193601093 1293389516 /nfs/dbraw/zinc/38/95/16/1293389516.db2.gz RVWRRJMCJBODRZ-WUQYLLKWSA-N 1 3 343.515 2.964 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)C/C=C\c2ccccc2)C1 ZINC001193601093 1293389522 /nfs/dbraw/zinc/38/95/22/1293389522.db2.gz RVWRRJMCJBODRZ-WUQYLLKWSA-N 1 3 343.515 2.964 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc3oc(=O)oc3c2)[C@@H](C)C1 ZINC000883003439 1293423904 /nfs/dbraw/zinc/42/39/04/1293423904.db2.gz PVRIDWHKZBWDQP-GOEBONIOSA-N 1 3 348.443 2.613 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001016829229 1313001318 /nfs/dbraw/zinc/00/13/18/1313001318.db2.gz LPPNWLSSDQWGIY-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547167 1313002948 /nfs/dbraw/zinc/00/29/48/1313002948.db2.gz HZPLUSDBLWTKOF-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCCC1)C2 ZINC001096547167 1313002954 /nfs/dbraw/zinc/00/29/54/1313002954.db2.gz HZPLUSDBLWTKOF-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096547167 1313002958 /nfs/dbraw/zinc/00/29/58/1313002958.db2.gz HZPLUSDBLWTKOF-OAOYMFHYSA-N 1 3 345.462 2.704 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN[C@H]1CCCC12OCCO2 ZINC000883180237 1293495787 /nfs/dbraw/zinc/49/57/87/1293495787.db2.gz XPDOFSQXTQHBJI-IBGZPJMESA-N 1 3 346.471 2.546 20 0 EFADHO c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCCC12OCCO2 ZINC000883180238 1293496123 /nfs/dbraw/zinc/49/61/23/1293496123.db2.gz XPDOFSQXTQHBJI-LJQANCHMSA-N 1 3 346.471 2.546 20 0 EFADHO CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229440 1293549309 /nfs/dbraw/zinc/54/93/09/1293549309.db2.gz XIVKHFMYXSNLCN-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194229440 1293549312 /nfs/dbraw/zinc/54/93/12/1293549312.db2.gz XIVKHFMYXSNLCN-VQIMIIECSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203791089 1293565266 /nfs/dbraw/zinc/56/52/66/1293565266.db2.gz CIIASOFHPZQKSZ-IRXDYDNUSA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246290 1293569385 /nfs/dbraw/zinc/56/93/85/1293569385.db2.gz KNSQMNFGCVUZGQ-SFHVURJKSA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246290 1293569389 /nfs/dbraw/zinc/56/93/89/1293569389.db2.gz KNSQMNFGCVUZGQ-SFHVURJKSA-N 1 3 329.488 2.861 20 0 EFADHO CC[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246769 1293569894 /nfs/dbraw/zinc/56/98/94/1293569894.db2.gz RLPBOYAOALMUFQ-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246769 1293569895 /nfs/dbraw/zinc/56/98/95/1293569895.db2.gz RLPBOYAOALMUFQ-WMZOPIPTSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246301 1293570060 /nfs/dbraw/zinc/57/00/60/1293570060.db2.gz KUAXGWNODMXRIO-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246301 1293570065 /nfs/dbraw/zinc/57/00/65/1293570065.db2.gz KUAXGWNODMXRIO-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001194265856 1293574611 /nfs/dbraw/zinc/57/46/11/1293574611.db2.gz HINOKWBNKIOMLQ-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001194265856 1293574615 /nfs/dbraw/zinc/57/46/15/1293574615.db2.gz HINOKWBNKIOMLQ-IAGOWNOFSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001194284777 1293586846 /nfs/dbraw/zinc/58/68/46/1293586846.db2.gz NLPIVMYAUYWCBO-HXUWFJFHSA-N 1 3 343.515 2.548 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCC3)C1 ZINC001194284777 1293586851 /nfs/dbraw/zinc/58/68/51/1293586851.db2.gz NLPIVMYAUYWCBO-HXUWFJFHSA-N 1 3 343.515 2.548 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284749 1293587457 /nfs/dbraw/zinc/58/74/57/1293587457.db2.gz MYPFYVHAIYYKOP-SFHVURJKSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284749 1293587463 /nfs/dbraw/zinc/58/74/63/1293587463.db2.gz MYPFYVHAIYYKOP-SFHVURJKSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285848 1293588279 /nfs/dbraw/zinc/58/82/79/1293588279.db2.gz SUZKKWKROUHKPD-QZTJIDSGSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285848 1293588274 /nfs/dbraw/zinc/58/82/74/1293588274.db2.gz SUZKKWKROUHKPD-QZTJIDSGSA-N 1 3 331.504 2.929 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001194292544 1293589653 /nfs/dbraw/zinc/58/96/53/1293589653.db2.gz ADDVWJMZSRKDGA-CRAIPNDOSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001194292544 1293589656 /nfs/dbraw/zinc/58/96/56/1293589656.db2.gz ADDVWJMZSRKDGA-CRAIPNDOSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001194294208 1293591943 /nfs/dbraw/zinc/59/19/43/1293591943.db2.gz LAXZCNSCWXPTAI-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@H]2CCCC2(F)F)C1 ZINC001194294208 1293591946 /nfs/dbraw/zinc/59/19/46/1293591946.db2.gz LAXZCNSCWXPTAI-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296176 1293593211 /nfs/dbraw/zinc/59/32/11/1293593211.db2.gz XSFGBWZVUANKBW-HXUWFJFHSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001194296176 1293593214 /nfs/dbraw/zinc/59/32/14/1293593214.db2.gz XSFGBWZVUANKBW-HXUWFJFHSA-N 1 3 345.531 2.664 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203792983 1293594500 /nfs/dbraw/zinc/59/45/00/1293594500.db2.gz RGKMUKVLKVVSQW-CHWSQXEVSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203794165 1313017766 /nfs/dbraw/zinc/01/77/66/1313017766.db2.gz VAZDRYQWFYCECP-OALUTQOASA-N 1 3 343.515 2.586 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276421248 1313019965 /nfs/dbraw/zinc/01/99/65/1313019965.db2.gz WZOWSHYQOQQSAE-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1ccc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)n1 ZINC001276421248 1313019968 /nfs/dbraw/zinc/01/99/68/1313019968.db2.gz WZOWSHYQOQQSAE-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC001152146887 1293724480 /nfs/dbraw/zinc/72/44/80/1293724480.db2.gz LPBFUDALRXCMCE-HDICACEKSA-N 1 3 331.504 2.506 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203853548 1313032236 /nfs/dbraw/zinc/03/22/36/1313032236.db2.gz SSTNZXCOTHDRKS-YFPJMFCJSA-N 1 3 348.318 2.759 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CCN2C/C=C\Cl ZINC001049573821 1313036811 /nfs/dbraw/zinc/03/68/11/1313036811.db2.gz WXCJVXVBGGKCCU-QBABJXPOSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]2[C@H]1CCN2C/C=C\Cl ZINC001049573821 1313036815 /nfs/dbraw/zinc/03/68/15/1313036815.db2.gz WXCJVXVBGGKCCU-QBABJXPOSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C\Cl ZINC001049573821 1313036818 /nfs/dbraw/zinc/03/68/18/1313036818.db2.gz WXCJVXVBGGKCCU-QBABJXPOSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C\Cl ZINC001049573821 1313036821 /nfs/dbraw/zinc/03/68/21/1313036821.db2.gz WXCJVXVBGGKCCU-QBABJXPOSA-N 1 3 344.846 2.766 20 0 EFADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203869344 1313037444 /nfs/dbraw/zinc/03/74/44/1313037444.db2.gz DJIXBQUSCJXRHW-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203896359 1313043169 /nfs/dbraw/zinc/04/31/69/1313043169.db2.gz MXPJXTXPEIGDDC-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203904021 1313044587 /nfs/dbraw/zinc/04/45/87/1313044587.db2.gz QMZPBKRLHLNAFM-HNNXBMFYSA-N 1 3 335.467 2.691 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H](CC(C)C)[NH2+]C)c1ccsc1 ZINC000884189032 1294037860 /nfs/dbraw/zinc/03/78/60/1294037860.db2.gz VGCQJLSZCLJZTG-HOTGVXAUSA-N 1 3 325.522 2.881 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@H](N)CC2CC2)CCCC1)c1ccccc1 ZINC000884219496 1294054197 /nfs/dbraw/zinc/05/41/97/1294054197.db2.gz QNYUGYOVWPTJQI-MAUKXSAKSA-N 1 3 329.488 2.894 20 0 EFADHO CCC/C=C\CCN1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195893266 1294060633 /nfs/dbraw/zinc/06/06/33/1294060633.db2.gz CZQJOBIOARDWJT-AWTIPJNISA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C\CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195893266 1294060635 /nfs/dbraw/zinc/06/06/35/1294060635.db2.gz CZQJOBIOARDWJT-AWTIPJNISA-N 1 3 335.536 2.997 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865582 1294064302 /nfs/dbraw/zinc/06/43/02/1294064302.db2.gz LXUUDAYTONNMQY-ZWKOTPCHSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865582 1294064304 /nfs/dbraw/zinc/06/43/04/1294064304.db2.gz LXUUDAYTONNMQY-ZWKOTPCHSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865581 1294064721 /nfs/dbraw/zinc/06/47/21/1294064721.db2.gz LXUUDAYTONNMQY-ROUUACIJSA-N 1 3 339.499 2.535 20 0 EFADHO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCCN(CCCCCF)CC1 ZINC001195865581 1294064725 /nfs/dbraw/zinc/06/47/25/1294064725.db2.gz LXUUDAYTONNMQY-ROUUACIJSA-N 1 3 339.499 2.535 20 0 EFADHO Cc1cccc(CCC[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001203925463 1313048674 /nfs/dbraw/zinc/04/86/74/1313048674.db2.gz OOIJGKPFTMTLNE-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001203932919 1313050817 /nfs/dbraw/zinc/05/08/17/1313050817.db2.gz RIXJSOQURLJLFB-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196025631 1294109008 /nfs/dbraw/zinc/10/90/08/1294109008.db2.gz RCXYYUDDLPFBFZ-QWPQOLDESA-N 1 3 327.488 2.557 20 0 EFADHO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001196025631 1294109011 /nfs/dbraw/zinc/10/90/11/1294109011.db2.gz RCXYYUDDLPFBFZ-QWPQOLDESA-N 1 3 327.488 2.557 20 0 EFADHO N[C@H](CC1CC1)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000884386791 1294125477 /nfs/dbraw/zinc/12/54/77/1294125477.db2.gz AALQQUDLIQUDMM-QGZVFWFLSA-N 1 3 333.501 2.940 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1cccc(C(F)(F)F)c1 ZINC000884450316 1294143063 /nfs/dbraw/zinc/14/30/63/1294143063.db2.gz FBFPBYIXEWRGAY-GJZGRUSLSA-N 1 3 343.393 2.552 20 0 EFADHO CC(C)(C)CCCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417540 1294240471 /nfs/dbraw/zinc/24/04/71/1294240471.db2.gz VWXMFUUEKKYZNK-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016981578 1313070700 /nfs/dbraw/zinc/07/07/00/1313070700.db2.gz FDWOTCRUDHBDSB-GOSISDBHSA-N 1 3 329.488 2.741 20 0 EFADHO c1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC001204049210 1313071120 /nfs/dbraw/zinc/07/11/20/1313071120.db2.gz FNVYSOOMVSUYHI-UHFFFAOYSA-N 1 3 346.471 2.740 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)C1(N(C)C)CCC1 ZINC000958791343 1294490187 /nfs/dbraw/zinc/49/01/87/1294490187.db2.gz PLTOROUPLFTSDE-GOSISDBHSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCc2ccccc2[C@@H]1C[NH2+]CC1CCC1)N(C)C ZINC000958791211 1294490451 /nfs/dbraw/zinc/49/04/51/1294490451.db2.gz OWAZHTJJNIYVKK-UXHICEINSA-N 1 3 343.515 2.842 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC000958802730 1294503340 /nfs/dbraw/zinc/50/33/40/1294503340.db2.gz CCULGFDUWRZIOC-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCCN1CC ZINC000958809076 1294511815 /nfs/dbraw/zinc/51/18/15/1294511815.db2.gz BBAVWYLJUJFWTH-RBUKOAKNSA-N 1 3 329.488 2.596 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203876443 1294523355 /nfs/dbraw/zinc/52/33/55/1294523355.db2.gz KSNLRWHKVUGGEK-OWBHPGMISA-N 1 3 348.318 2.762 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396533 1294527489 /nfs/dbraw/zinc/52/74/89/1294527489.db2.gz DEAUDOQWGABSHJ-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396533 1294527494 /nfs/dbraw/zinc/52/74/94/1294527494.db2.gz DEAUDOQWGABSHJ-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1nccc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001276354568 1294573384 /nfs/dbraw/zinc/57/33/84/1294573384.db2.gz XQMMDMJEUMIPGZ-CALCHBBNSA-N 1 3 339.487 2.711 20 0 EFADHO CCc1nccc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)n1 ZINC001276354568 1294573393 /nfs/dbraw/zinc/57/33/93/1294573393.db2.gz XQMMDMJEUMIPGZ-CALCHBBNSA-N 1 3 339.487 2.711 20 0 EFADHO O=c1cccc(CN2CCC3(C2)CC[NH+](C[C@@H]2CCCCO2)CC3)[nH]1 ZINC001276445117 1313093058 /nfs/dbraw/zinc/09/30/58/1313093058.db2.gz YSLYYSZLEOXLRQ-SFHVURJKSA-N 1 3 345.487 2.644 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001197705639 1294679044 /nfs/dbraw/zinc/67/90/44/1294679044.db2.gz BYJIHWZJBPZWJH-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(CCCc2ccsc2)CC1 ZINC001197705639 1294679051 /nfs/dbraw/zinc/67/90/51/1294679051.db2.gz BYJIHWZJBPZWJH-UHFFFAOYSA-N 1 3 337.533 2.557 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)CC[N@@H+](C)CC)CC2)c1 ZINC001197707241 1294679504 /nfs/dbraw/zinc/67/95/04/1294679504.db2.gz NJBVOBBINLXVJW-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO CCc1cccc(CN2CCCN(C(=O)CC[N@H+](C)CC)CC2)c1 ZINC001197707241 1294679510 /nfs/dbraw/zinc/67/95/10/1294679510.db2.gz NJBVOBBINLXVJW-UHFFFAOYSA-N 1 3 331.504 2.625 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC001197705756 1294681450 /nfs/dbraw/zinc/68/14/50/1294681450.db2.gz FEZZSBKRKFMSTL-INIZCTEOSA-N 1 3 345.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC001197705756 1294681463 /nfs/dbraw/zinc/68/14/63/1294681463.db2.gz FEZZSBKRKFMSTL-INIZCTEOSA-N 1 3 345.478 2.688 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001197885560 1294764897 /nfs/dbraw/zinc/76/48/97/1294764897.db2.gz HSGHDNJBXHGYDY-FQEVSTJZSA-N 1 3 343.515 2.940 20 0 EFADHO Cc1cccc(CN2CCCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001197870901 1294773095 /nfs/dbraw/zinc/77/30/95/1294773095.db2.gz MSRCQFFSAAELBZ-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CC1(C[NH+]2CCC3(CCCN(Cc4cn[nH]c4)C3)CC2)CCOCC1 ZINC001276449018 1313103543 /nfs/dbraw/zinc/10/35/43/1313103543.db2.gz VXHDKULGXDENON-UHFFFAOYSA-N 1 3 346.519 2.904 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629758 1313109296 /nfs/dbraw/zinc/10/92/96/1313109296.db2.gz LTSBVURJSGCJII-ZWKOTPCHSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)N1CCCC1 ZINC001049629758 1313109298 /nfs/dbraw/zinc/10/92/98/1313109298.db2.gz LTSBVURJSGCJII-ZWKOTPCHSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1)N1CCCC1 ZINC001049630115 1313109554 /nfs/dbraw/zinc/10/95/54/1313109554.db2.gz NVVBOCKKLCCMLY-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1)N1CCCC1 ZINC001049630115 1313109557 /nfs/dbraw/zinc/10/95/57/1313109557.db2.gz NVVBOCKKLCCMLY-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCC[C@]3(CCC(=O)O3)C2)cc1 ZINC001204271345 1313112241 /nfs/dbraw/zinc/11/22/41/1313112241.db2.gz JGFSPQNFMJAUMK-FQEVSTJZSA-N 1 3 346.471 2.689 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(CCCCCF)CC1 ZINC001198221643 1294927039 /nfs/dbraw/zinc/92/70/39/1294927039.db2.gz LGSUINFLRXMZES-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001198221643 1294927046 /nfs/dbraw/zinc/92/70/46/1294927046.db2.gz LGSUINFLRXMZES-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001198221643 1294927053 /nfs/dbraw/zinc/92/70/53/1294927053.db2.gz LGSUINFLRXMZES-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO COc1ccccc1NC(=O)C1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903722964 1313118648 /nfs/dbraw/zinc/11/86/48/1313118648.db2.gz RBTHETNHZVHIDC-MRXNPFEDSA-N 1 3 345.487 2.735 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545685 1295011868 /nfs/dbraw/zinc/01/18/68/1295011868.db2.gz PWENSGWNGDCIEN-UZLBHIALSA-N 1 3 329.488 2.670 20 0 EFADHO CN1c2ccccc2C[C@@H](NC2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000886636503 1295075248 /nfs/dbraw/zinc/07/52/48/1295075248.db2.gz PBEHSTFCXWCXQV-IDYZSHNDSA-N 1 3 341.499 2.961 20 0 EFADHO Fc1cccc(CN(C[C@@H]2CCCO2)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903727134 1313125069 /nfs/dbraw/zinc/12/50/69/1313125069.db2.gz QUPCNODPNWGQDD-UFYCRDLUSA-N 1 3 348.462 2.575 20 0 EFADHO Cn1cncc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001204387469 1313133410 /nfs/dbraw/zinc/13/34/10/1313133410.db2.gz ZVAOWMNSWSNBFD-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO Cn1cncc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001204387469 1313133412 /nfs/dbraw/zinc/13/34/12/1313133412.db2.gz ZVAOWMNSWSNBFD-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740366 1295213792 /nfs/dbraw/zinc/21/37/92/1295213792.db2.gz DBYZMDMXQLMJEM-OKZBNKHCSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1OC ZINC001198740366 1295213800 /nfs/dbraw/zinc/21/38/00/1295213800.db2.gz DBYZMDMXQLMJEM-OKZBNKHCSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198777013 1295247062 /nfs/dbraw/zinc/24/70/62/1295247062.db2.gz VVGMBWXNIILKSI-MRXNPFEDSA-N 1 3 335.492 2.581 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H](NC(C)C)c1ccccc1OC ZINC001198777013 1295247071 /nfs/dbraw/zinc/24/70/71/1295247071.db2.gz VVGMBWXNIILKSI-MRXNPFEDSA-N 1 3 335.492 2.581 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001017072032 1313140195 /nfs/dbraw/zinc/14/01/95/1313140195.db2.gz RJXXNOICFATHRD-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001017072032 1313140196 /nfs/dbraw/zinc/14/01/96/1313140196.db2.gz RJXXNOICFATHRD-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC)c2ccccc2OC)C1 ZINC001198856173 1295281170 /nfs/dbraw/zinc/28/11/70/1295281170.db2.gz GCHPIQDQTZMWQE-SJLPKXTDSA-N 1 3 347.503 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](NCC)c2ccccc2OC)C1 ZINC001198856173 1295281175 /nfs/dbraw/zinc/28/11/75/1295281175.db2.gz GCHPIQDQTZMWQE-SJLPKXTDSA-N 1 3 347.503 2.584 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CN1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134999 1295287931 /nfs/dbraw/zinc/28/79/31/1295287931.db2.gz UERLENNXRZMOFJ-SQGPQFPESA-N 1 3 325.456 2.757 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CN1CCC[C@H]1C)[NH2+]CC(C)C ZINC001198902757 1295304756 /nfs/dbraw/zinc/30/47/56/1295304756.db2.gz OKGTYEKGOMWMBT-SJLPKXTDSA-N 1 3 347.503 2.582 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CN1CCC[C@@H]1C)[NH2+]CC(C)C ZINC001198902756 1295305051 /nfs/dbraw/zinc/30/50/51/1295305051.db2.gz OKGTYEKGOMWMBT-FUHWJXTLSA-N 1 3 347.503 2.582 20 0 EFADHO CCCCCN[C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198866992 1295308516 /nfs/dbraw/zinc/30/85/16/1295308516.db2.gz WEKDTANAIUPGTC-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]CC(C)C ZINC001198885343 1295318071 /nfs/dbraw/zinc/31/80/71/1295318071.db2.gz FDVFOAGBTQPEMC-IEBWSBKVSA-N 1 3 349.519 2.684 20 0 EFADHO CCCCCCN[C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885594 1295318815 /nfs/dbraw/zinc/31/88/15/1295318815.db2.gz MGOFRQLAMKQQSC-SFHVURJKSA-N 1 3 349.519 2.974 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CC[NH+](C)C)NCCCC(C)C ZINC001198885752 1295318871 /nfs/dbraw/zinc/31/88/71/1295318871.db2.gz RJMMALZHDWSZKP-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CC[NH+](C)C)NCCC(C)(C)C ZINC001198885378 1295319098 /nfs/dbraw/zinc/31/90/98/1295319098.db2.gz FYNPLBVGEZYCQM-QGZVFWFLSA-N 1 3 349.519 2.830 20 0 EFADHO CCN(CC)CC(=O)NC[C@H]([NH2+]CCC(C)C)c1ccccc1OC ZINC001198938638 1295342962 /nfs/dbraw/zinc/34/29/62/1295342962.db2.gz BZEFWBHNQAXKGE-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCC[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198993804 1295391003 /nfs/dbraw/zinc/39/10/03/1295391003.db2.gz SNGIQIMNYAHWIA-GOSISDBHSA-N 1 3 349.519 2.973 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198994211 1295391038 /nfs/dbraw/zinc/39/10/38/1295391038.db2.gz VYPSKQHEGZEWDW-AEFFLSMTSA-N 1 3 349.519 2.828 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)CC1 ZINC001276473127 1313163999 /nfs/dbraw/zinc/16/39/99/1313163999.db2.gz UWEGHUQRNFWLKE-MOPGFXCFSA-N 1 3 347.547 2.855 20 0 EFADHO Cc1cc(F)cc(C)c1CN1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274224292 1295596392 /nfs/dbraw/zinc/59/63/92/1295596392.db2.gz WVHOTFHUFJKTMM-HXUWFJFHSA-N 1 3 347.478 2.571 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1)N1CCCCC1 ZINC001037231103 1295649977 /nfs/dbraw/zinc/64/99/77/1295649977.db2.gz XVZJOAQBBBPDKD-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO FC(F)(F)c1ccn(C2CCN(C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903756485 1313171064 /nfs/dbraw/zinc/17/10/64/1313171064.db2.gz SGUSYTYTZOAMMH-ZDUSSCGKSA-N 1 3 330.398 2.929 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)C ZINC001234641239 1313175995 /nfs/dbraw/zinc/17/59/95/1313175995.db2.gz DBPHKWFKXUWESG-SJORKVTESA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)C ZINC001234641239 1313175998 /nfs/dbraw/zinc/17/59/98/1313175998.db2.gz DBPHKWFKXUWESG-SJORKVTESA-N 1 3 329.504 2.635 20 0 EFADHO COC(=O)c1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c2ncccc12 ZINC000903761375 1313176464 /nfs/dbraw/zinc/17/64/64/1313176464.db2.gz QZFBDNAYKYYQRT-LZWOXQAQSA-N 1 3 341.455 2.827 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001199788455 1295753491 /nfs/dbraw/zinc/75/34/91/1295753491.db2.gz QPXBXPBKWFIOCE-KYRNDMNFSA-N 1 3 341.499 2.765 20 0 EFADHO FC(F)(F)c1ccc2c(c1)CCN(C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903770782 1313184556 /nfs/dbraw/zinc/18/45/56/1313184556.db2.gz LQBWRLMSDTYXLH-IAGOWNOFSA-N 1 3 340.389 2.832 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001204798296 1313196269 /nfs/dbraw/zinc/19/62/69/1313196269.db2.gz GZVNOPUOUIRWDY-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CCCCC2)CC1 ZINC001204799275 1313196638 /nfs/dbraw/zinc/19/66/38/1313196638.db2.gz VNUGHUMCPUZAQC-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)N(C)C ZINC001017146732 1313200982 /nfs/dbraw/zinc/20/09/82/1313200982.db2.gz QSWFQSWPXYRWPU-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)N(C)C ZINC001017146732 1313200985 /nfs/dbraw/zinc/20/09/85/1313200985.db2.gz QSWFQSWPXYRWPU-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H](c1ccccc1)N1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903783223 1313205856 /nfs/dbraw/zinc/20/58/56/1313205856.db2.gz WNVLNANRNYNTJJ-UYAOXDASSA-N 1 3 343.515 2.524 20 0 EFADHO CCC[C@H]1CN(C[C@@H](O)C[N@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965136 1296018799 /nfs/dbraw/zinc/01/87/99/1296018799.db2.gz CIHLKWGPDHEYHV-SFTDATJTSA-N 1 3 347.547 2.674 20 0 EFADHO CCC[C@H]1CN(C[C@@H](O)C[N@@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965136 1296018808 /nfs/dbraw/zinc/01/88/08/1296018808.db2.gz CIHLKWGPDHEYHV-SFTDATJTSA-N 1 3 347.547 2.674 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC001037249440 1296088423 /nfs/dbraw/zinc/08/84/23/1296088423.db2.gz YYJHTBGURCGHFC-QZTJIDSGSA-N 1 3 340.471 2.725 20 0 EFADHO CN(C)CC1(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)CCCC1 ZINC001276477976 1313214209 /nfs/dbraw/zinc/21/42/09/1313214209.db2.gz KVKWCDWTRUJKGT-OALUTQOASA-N 1 3 330.520 2.785 20 0 EFADHO CN(C)CC1(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)CCCC1 ZINC001276477976 1313214212 /nfs/dbraw/zinc/21/42/12/1313214212.db2.gz KVKWCDWTRUJKGT-OALUTQOASA-N 1 3 330.520 2.785 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1=O ZINC001274816167 1296179108 /nfs/dbraw/zinc/17/91/08/1296179108.db2.gz CVGZPYXHTMNPEV-OAQYLSRUSA-N 1 3 341.499 2.550 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1=O ZINC001274816167 1296179116 /nfs/dbraw/zinc/17/91/16/1296179116.db2.gz CVGZPYXHTMNPEV-OAQYLSRUSA-N 1 3 341.499 2.550 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720716 1313224016 /nfs/dbraw/zinc/22/40/16/1313224016.db2.gz SSUZGTFDQKURGD-FCEWJHQRSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001049720716 1313224019 /nfs/dbraw/zinc/22/40/19/1313224019.db2.gz SSUZGTFDQKURGD-FCEWJHQRSA-N 1 3 339.499 2.674 20 0 EFADHO COCOc1ccc(-c2cc(N3CC[NH2+]CC3)ccn2)cc1Cl ZINC001205036091 1313225030 /nfs/dbraw/zinc/22/50/30/1313225030.db2.gz WDGIVKSEBBDLCH-UHFFFAOYSA-N 1 3 333.819 2.794 20 0 EFADHO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794436 1313225245 /nfs/dbraw/zinc/22/52/45/1313225245.db2.gz VENHUJMQYFVVKH-ROUUACIJSA-N 1 3 343.515 2.768 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274886488 1296202295 /nfs/dbraw/zinc/20/22/95/1296202295.db2.gz BZMPJUOIKAXOSZ-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001274886488 1296202300 /nfs/dbraw/zinc/20/23/00/1296202300.db2.gz BZMPJUOIKAXOSZ-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO c1[nH]c2ccccc2c1CCN1CCC2(C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001275172726 1296241599 /nfs/dbraw/zinc/24/15/99/1296241599.db2.gz UFUBDUULPKOXFX-QGZVFWFLSA-N 1 3 339.483 2.755 20 0 EFADHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001275246092 1296244445 /nfs/dbraw/zinc/24/44/45/1296244445.db2.gz YMMOOLSXTWQNNF-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC000959928362 1296247300 /nfs/dbraw/zinc/24/73/00/1296247300.db2.gz YLCUIXYTSFUYPX-OALUTQOASA-N 1 3 347.478 2.699 20 0 EFADHO COc1cc(CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1Cl ZINC001275354035 1296260648 /nfs/dbraw/zinc/26/06/48/1296260648.db2.gz XLYIDKBQNSHNRX-IRXDYDNUSA-N 1 3 337.895 2.559 20 0 EFADHO Cc1cccc2c1CCN(Cc1cccc(CN3CC[NH2+]CC3)c1)C2 ZINC001205164608 1313244121 /nfs/dbraw/zinc/24/41/21/1313244121.db2.gz IZNDQXYGAVYDTA-UHFFFAOYSA-N 1 3 335.495 2.959 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC000960044425 1296398688 /nfs/dbraw/zinc/39/86/88/1296398688.db2.gz RMYJCUCDCPQIKI-RBUKOAKNSA-N 1 3 349.494 2.945 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017200577 1313254155 /nfs/dbraw/zinc/25/41/55/1313254155.db2.gz AZQDUZNCNCTGHX-VQTJNVASSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017200577 1313254159 /nfs/dbraw/zinc/25/41/59/1313254159.db2.gz AZQDUZNCNCTGHX-VQTJNVASSA-N 1 3 345.531 2.943 20 0 EFADHO Cc1cc(CN2CCC[C@](O)(C[NH3+])CC2)c(C)cc1Br ZINC001205247374 1313258167 /nfs/dbraw/zinc/25/81/67/1313258167.db2.gz GHTSXUASIIALCP-MRXNPFEDSA-N 1 3 341.293 2.742 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200894395 1296476684 /nfs/dbraw/zinc/47/66/84/1296476684.db2.gz QKQYFCXSRCGKPK-HFBDAHEESA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001200894395 1296476687 /nfs/dbraw/zinc/47/66/87/1296476687.db2.gz QKQYFCXSRCGKPK-HFBDAHEESA-N 1 3 348.318 2.760 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960131804 1296491312 /nfs/dbraw/zinc/49/13/12/1296491312.db2.gz RJPSMNRXIWNPKJ-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CCCC2)C1 ZINC000960132153 1296491663 /nfs/dbraw/zinc/49/16/63/1296491663.db2.gz SCTRMYFQZJHJHJ-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC/C=C\CCCCCN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204577 1313262837 /nfs/dbraw/zinc/26/28/37/1313262837.db2.gz GWPAEXHBBUUNKK-ARJAWSKDSA-N 1 3 348.535 2.987 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000960132710 1296492635 /nfs/dbraw/zinc/49/26/35/1296492635.db2.gz YSVQCUPIFCNERX-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCc2ccccc21)N(C)C ZINC000960137871 1296498872 /nfs/dbraw/zinc/49/88/72/1296498872.db2.gz WOHUMIHVJLIWNV-IHPCNDPISA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c(C)c1 ZINC000960150677 1296513473 /nfs/dbraw/zinc/51/34/73/1296513473.db2.gz KZBWRSJDUZABER-IBGZPJMESA-N 1 3 340.471 2.740 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC001017208435 1313265386 /nfs/dbraw/zinc/26/53/86/1313265386.db2.gz HHHPEGPVMIWFKU-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001017208435 1313265390 /nfs/dbraw/zinc/26/53/90/1313265390.db2.gz HHHPEGPVMIWFKU-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC000960151431 1296514797 /nfs/dbraw/zinc/51/47/97/1296514797.db2.gz PYSPZLVUQVULHG-AEFFLSMTSA-N 1 3 340.471 2.993 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000960152112 1296516217 /nfs/dbraw/zinc/51/62/17/1296516217.db2.gz VDACKHHMVLQBFQ-SFHVURJKSA-N 1 3 332.492 2.893 20 0 EFADHO CC[NH2+][C@@H]1CN(C(=O)C(C)(C)N(C)CC)CC[C@H]1c1ccc(F)cc1 ZINC001205293334 1313265757 /nfs/dbraw/zinc/26/57/57/1313265757.db2.gz ZZDNFIUELUSPLH-ZWKOTPCHSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208385 1313265882 /nfs/dbraw/zinc/26/58/82/1313265882.db2.gz FYZPCAIEBOZRBO-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208385 1313265885 /nfs/dbraw/zinc/26/58/85/1313265885.db2.gz FYZPCAIEBOZRBO-VQIMIIECSA-N 1 3 341.515 2.778 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001017208570 1313266148 /nfs/dbraw/zinc/26/61/48/1313266148.db2.gz IOVJXQOVBQSFNO-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001017208570 1313266152 /nfs/dbraw/zinc/26/61/52/1313266152.db2.gz IOVJXQOVBQSFNO-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017209094 1313266621 /nfs/dbraw/zinc/26/66/21/1313266621.db2.gz LOIVOXHRLPLYJJ-SJORKVTESA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017209094 1313266625 /nfs/dbraw/zinc/26/66/25/1313266625.db2.gz LOIVOXHRLPLYJJ-SJORKVTESA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210190 1313267874 /nfs/dbraw/zinc/26/78/74/1313267874.db2.gz XNWKOEARNFXPKC-QUCCMNQESA-N 1 3 347.547 2.999 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210190 1313267878 /nfs/dbraw/zinc/26/78/78/1313267878.db2.gz XNWKOEARNFXPKC-QUCCMNQESA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210188 1313267937 /nfs/dbraw/zinc/26/79/37/1313267937.db2.gz XNWKOEARNFXPKC-AZUAARDMSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210188 1313267941 /nfs/dbraw/zinc/26/79/41/1313267941.db2.gz XNWKOEARNFXPKC-AZUAARDMSA-N 1 3 347.547 2.999 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017211580 1313268102 /nfs/dbraw/zinc/26/81/02/1313268102.db2.gz KHRONMNOAYKNDM-APWZRJJASA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017211580 1313268106 /nfs/dbraw/zinc/26/81/06/1313268106.db2.gz KHRONMNOAYKNDM-APWZRJJASA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017212813 1313268481 /nfs/dbraw/zinc/26/84/81/1313268481.db2.gz ORGNSYGNQOAJDP-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017212813 1313268485 /nfs/dbraw/zinc/26/84/85/1313268485.db2.gz ORGNSYGNQOAJDP-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC000960174711 1296540550 /nfs/dbraw/zinc/54/05/50/1296540550.db2.gz LCJRQHWBKPHLMK-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC000960174711 1296540554 /nfs/dbraw/zinc/54/05/54/1296540554.db2.gz LCJRQHWBKPHLMK-WCIQWLHISA-N 1 3 347.547 2.878 20 0 EFADHO O=C(c1ccccc1Cl)C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903831101 1313268808 /nfs/dbraw/zinc/26/88/08/1313268808.db2.gz DJILLZPGZQMTNP-OAHLLOKOSA-N 1 3 348.874 2.613 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960178212 1296542334 /nfs/dbraw/zinc/54/23/34/1296542334.db2.gz XCOFGMVVPRSOPY-ZGXWSNOMSA-N 1 3 345.531 2.798 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000960178212 1296542340 /nfs/dbraw/zinc/54/23/40/1296542340.db2.gz XCOFGMVVPRSOPY-ZGXWSNOMSA-N 1 3 345.531 2.798 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017212757 1313268875 /nfs/dbraw/zinc/26/88/75/1313268875.db2.gz OMCISTNHNCNLCO-MJGOQNOKSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001017212757 1313268878 /nfs/dbraw/zinc/26/88/78/1313268878.db2.gz OMCISTNHNCNLCO-MJGOQNOKSA-N 1 3 349.494 2.836 20 0 EFADHO CCCN1CCCC[C@@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000068130279 1296557427 /nfs/dbraw/zinc/55/74/27/1296557427.db2.gz ZTNBTCZEBDKDLE-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2Cc1cc2cccc(F)c2[nH]1 ZINC001235244964 1313273366 /nfs/dbraw/zinc/27/33/66/1313273366.db2.gz VDDILSOGQYBTED-ZWKOTPCHSA-N 1 3 330.451 2.517 20 0 EFADHO CCc1cccc(CN2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001235248393 1313274609 /nfs/dbraw/zinc/27/46/09/1313274609.db2.gz BRYAABSJILWSRT-UHFFFAOYSA-N 1 3 331.504 2.968 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001201149709 1296590957 /nfs/dbraw/zinc/59/09/57/1296590957.db2.gz HUGABJHFCJVDOV-ZBWUASRJSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC000960216323 1296592072 /nfs/dbraw/zinc/59/20/72/1296592072.db2.gz MUKWKHSCHGKIPY-SJORKVTESA-N 1 3 347.478 2.953 20 0 EFADHO CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049766651 1313276721 /nfs/dbraw/zinc/27/67/21/1313276721.db2.gz MIMCFSSVUJPNFC-KSZLIROESA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049766653 1313276884 /nfs/dbraw/zinc/27/68/84/1313276884.db2.gz MIMCFSSVUJPNFC-OKZBNKHCSA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049766654 1313277056 /nfs/dbraw/zinc/27/70/56/1313277056.db2.gz MIMCFSSVUJPNFC-RCCFBDPRSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001049768315 1313278347 /nfs/dbraw/zinc/27/83/47/1313278347.db2.gz VHUNTBLKIZXSDH-FGTMMUONSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049768315 1313278352 /nfs/dbraw/zinc/27/83/52/1313278352.db2.gz VHUNTBLKIZXSDH-FGTMMUONSA-N 1 3 339.499 2.674 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CCN2CCCCCF)C1 ZINC001235263949 1313278367 /nfs/dbraw/zinc/27/83/67/1313278367.db2.gz YMMQPLKXGFRTDZ-QZTJIDSGSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@H]2CCN2CCCCCF)C1 ZINC001235263949 1313278372 /nfs/dbraw/zinc/27/83/72/1313278372.db2.gz YMMQPLKXGFRTDZ-QZTJIDSGSA-N 1 3 341.515 2.637 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@H]2CN(Cc3cnco3)C[C@H]2CC1 ZINC001276158432 1296622151 /nfs/dbraw/zinc/62/21/51/1296622151.db2.gz UQBMLSRFGCUCQJ-GASCZTMLSA-N 1 3 332.473 2.784 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@H]2CN(Cc3cnco3)C[C@H]2CC1 ZINC001276158432 1296622172 /nfs/dbraw/zinc/62/21/72/1296622172.db2.gz UQBMLSRFGCUCQJ-GASCZTMLSA-N 1 3 332.473 2.784 20 0 EFADHO CC(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC000960262804 1296669333 /nfs/dbraw/zinc/66/93/33/1296669333.db2.gz QPEQBVVXHVSSBM-HSALFYBXSA-N 1 3 343.515 2.887 20 0 EFADHO COc1cc(C)ccc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276294836 1296700189 /nfs/dbraw/zinc/70/01/89/1296700189.db2.gz XBAJPOIWPYHVQG-NRFANRHFSA-N 1 3 345.531 2.853 20 0 EFADHO COc1cc(C)ccc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276294836 1296700200 /nfs/dbraw/zinc/70/02/00/1296700200.db2.gz XBAJPOIWPYHVQG-NRFANRHFSA-N 1 3 345.531 2.853 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)CCC1 ZINC001205457892 1313293094 /nfs/dbraw/zinc/29/30/94/1313293094.db2.gz VAYCSQFNDIKNAR-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CCc3ccccc3)CC2)CCC1 ZINC001205457619 1313293211 /nfs/dbraw/zinc/29/32/11/1313293211.db2.gz HINXAZRJMYVHPM-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000960288944 1296707242 /nfs/dbraw/zinc/70/72/42/1296707242.db2.gz LYOVJVWIFFHXOZ-IMBTUZDBSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000960288944 1296707254 /nfs/dbraw/zinc/70/72/54/1296707254.db2.gz LYOVJVWIFFHXOZ-IMBTUZDBSA-N 1 3 347.528 2.557 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001235335634 1313293508 /nfs/dbraw/zinc/29/35/08/1313293508.db2.gz LYGNCAHYRHOBCY-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C[C@@H]1CCN1CCCCCF ZINC001235335634 1313293512 /nfs/dbraw/zinc/29/35/12/1313293512.db2.gz LYGNCAHYRHOBCY-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000960305304 1296721857 /nfs/dbraw/zinc/72/18/57/1296721857.db2.gz XJLKYYLBVZLPQD-MBOZVWFJSA-N 1 3 347.478 2.591 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960305303 1296722142 /nfs/dbraw/zinc/72/21/42/1296722142.db2.gz XJLKYYLBVZLPQD-HLIPFELVSA-N 1 3 347.478 2.591 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H]1CC1(C)C ZINC001413011040 1296724115 /nfs/dbraw/zinc/72/41/15/1296724115.db2.gz LVLCBUYVPIECMC-OKZBNKHCSA-N 1 3 331.504 2.820 20 0 EFADHO CCOc1ccc(Br)cc1CN1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340840 1313295768 /nfs/dbraw/zinc/29/57/68/1313295768.db2.gz MSSIHAAREDHHFF-GFCCVEGCSA-N 1 3 339.277 2.889 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCCN1C(C)C ZINC000960311398 1296727675 /nfs/dbraw/zinc/72/76/75/1296727675.db2.gz XQEFZOYIRYDBLO-CEXWTWQISA-N 1 3 329.488 2.641 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001201326753 1296730670 /nfs/dbraw/zinc/73/06/70/1296730670.db2.gz AMIYTRBCBHACCF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355201 1313300121 /nfs/dbraw/zinc/30/01/21/1313300121.db2.gz PVEKDJRHGIZMRE-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1)C1CC1 ZINC001235355201 1313300122 /nfs/dbraw/zinc/30/01/22/1313300122.db2.gz PVEKDJRHGIZMRE-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@@H]1CC=CCC1)CCC2 ZINC001201412134 1296782471 /nfs/dbraw/zinc/78/24/71/1296782471.db2.gz UKPXNQZICWPQFP-QGZVFWFLSA-N 1 3 344.503 2.646 20 0 EFADHO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C[C@@H]1CC=CCC1)CCC2 ZINC001201412134 1296782487 /nfs/dbraw/zinc/78/24/87/1296782487.db2.gz UKPXNQZICWPQFP-QGZVFWFLSA-N 1 3 344.503 2.646 20 0 EFADHO Clc1cccc(Cl)c1CCN1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001235371270 1313303998 /nfs/dbraw/zinc/30/39/98/1313303998.db2.gz YLYUKVPGJZRLOR-PBFPGSCMSA-N 1 3 341.282 2.989 20 0 EFADHO NC[C@]12CC[C@@H]1CC[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858586 1313305322 /nfs/dbraw/zinc/30/53/22/1313305322.db2.gz YZJJDMLKQVUGGP-CXAGYDPISA-N 1 3 332.835 2.746 20 0 EFADHO NC[C@]12CC[C@@H]1CC[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858586 1313305327 /nfs/dbraw/zinc/30/53/27/1313305327.db2.gz YZJJDMLKQVUGGP-CXAGYDPISA-N 1 3 332.835 2.746 20 0 EFADHO CCCCOc1ncc(CN2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)cc1C ZINC001235377821 1313305766 /nfs/dbraw/zinc/30/57/66/1313305766.db2.gz DOMZSGYIMNDNDH-QWFCFKBJSA-N 1 3 345.487 2.522 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)C[C@H](C)O1 ZINC000925439569 1296836885 /nfs/dbraw/zinc/83/68/85/1296836885.db2.gz MTGAZPSNTGFPFW-KVPLUYHFSA-N 1 3 348.535 2.610 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001017267157 1313310948 /nfs/dbraw/zinc/31/09/48/1313310948.db2.gz PBLUZMDNEMIQEJ-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001017267157 1313310951 /nfs/dbraw/zinc/31/09/51/1313310951.db2.gz PBLUZMDNEMIQEJ-LJQANCHMSA-N 1 3 343.515 2.942 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3C[C@@H](N)C34CCC4)CC2)cs1 ZINC000925574589 1296859057 /nfs/dbraw/zinc/85/90/57/1296859057.db2.gz RVMLTYLXOZVYKB-SJORKVTESA-N 1 3 348.560 2.777 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1 ZINC001235402953 1313312953 /nfs/dbraw/zinc/31/29/53/1313312953.db2.gz KIIONUXQFSTURI-AZUAARDMSA-N 1 3 348.462 2.819 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1 ZINC001235402953 1313312954 /nfs/dbraw/zinc/31/29/54/1313312954.db2.gz KIIONUXQFSTURI-AZUAARDMSA-N 1 3 348.462 2.819 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1 ZINC001235402956 1313313180 /nfs/dbraw/zinc/31/31/80/1313313180.db2.gz KIIONUXQFSTURI-UYAOXDASSA-N 1 3 348.462 2.819 20 0 EFADHO CCOC(=O)c1ccc(CCC[N@H+]2CC[C@]3(C2)CNCC[C@H]3F)cc1 ZINC001235402956 1313313184 /nfs/dbraw/zinc/31/31/84/1313313184.db2.gz KIIONUXQFSTURI-UYAOXDASSA-N 1 3 348.462 2.819 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001205560964 1313313374 /nfs/dbraw/zinc/31/33/74/1313313374.db2.gz CFRADJDQXYLPQU-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO O=c1ccc2c(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423909 1313318638 /nfs/dbraw/zinc/31/86/38/1313318638.db2.gz HBRUDHLDVFYIDH-HUUCEWRRSA-N 1 3 341.455 2.858 20 0 EFADHO O=c1ccc2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc([O-])c2[nH]1 ZINC001235423909 1313318641 /nfs/dbraw/zinc/31/86/41/1313318641.db2.gz HBRUDHLDVFYIDH-HUUCEWRRSA-N 1 3 341.455 2.858 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235426312 1313319404 /nfs/dbraw/zinc/31/94/04/1313319404.db2.gz JZVLQCGGEPMHNQ-JKSUJKDBSA-N 1 3 334.435 2.824 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4[nH]ccc4c3)CC2)CC1 ZINC001205612257 1313322046 /nfs/dbraw/zinc/32/20/46/1313322046.db2.gz UMJXSKSYVVNACS-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO C[C@@H]1CCN(Cc2cc(O)ccc2Br)CC[C@H]1C[NH3+] ZINC001205615730 1313323283 /nfs/dbraw/zinc/32/32/83/1313323283.db2.gz AFHWXVMSCMPFPG-NEPJUHHUSA-N 1 3 327.266 2.962 20 0 EFADHO C[C@@H]1CCN(Cc2ccncc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205617654 1313324158 /nfs/dbraw/zinc/32/41/58/1313324158.db2.gz LYUKEZXZKIOUFN-CABCVRRESA-N 1 3 332.492 2.873 20 0 EFADHO C[C@H]1CCN(Cc2cccnc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205617653 1313324239 /nfs/dbraw/zinc/32/42/39/1313324239.db2.gz LYPZGFCHBZQVBP-LSDHHAIUSA-N 1 3 332.492 2.873 20 0 EFADHO C[C@H]1CCN(Cc2ccncc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205617655 1313324272 /nfs/dbraw/zinc/32/42/72/1313324272.db2.gz LYUKEZXZKIOUFN-GJZGRUSLSA-N 1 3 332.492 2.873 20 0 EFADHO C[C@@H]1CCN(Cc2cc(O)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205637495 1313328522 /nfs/dbraw/zinc/32/85/22/1313328522.db2.gz HNLZGODIMURDRV-DGCLKSJQSA-N 1 3 327.266 2.962 20 0 EFADHO c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]CCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000927082007 1296986376 /nfs/dbraw/zinc/98/63/76/1296986376.db2.gz YFXFOXFEEATHNT-TUFLPTIASA-N 1 3 344.499 2.682 20 0 EFADHO C(CN1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21)C1CC[NH2+]CC1 ZINC001235468496 1313330891 /nfs/dbraw/zinc/33/08/91/1313330891.db2.gz NJSJAZCOTPJAGW-XUVXKRRUSA-N 1 3 336.520 2.815 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478020 1297069651 /nfs/dbraw/zinc/06/96/51/1297069651.db2.gz KDUDPHYSYKFEJL-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478020 1297069665 /nfs/dbraw/zinc/06/96/65/1297069665.db2.gz KDUDPHYSYKFEJL-MOPGFXCFSA-N 1 3 329.488 2.512 20 0 EFADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235511313 1313340050 /nfs/dbraw/zinc/34/00/50/1313340050.db2.gz FWJYYDYXFFLSAI-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235511313 1313340054 /nfs/dbraw/zinc/34/00/54/1313340054.db2.gz FWJYYDYXFFLSAI-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC000960490277 1297099683 /nfs/dbraw/zinc/09/96/83/1297099683.db2.gz WUBLZRKWMCVFNC-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC000960490277 1297099695 /nfs/dbraw/zinc/09/96/95/1297099695.db2.gz WUBLZRKWMCVFNC-MSOLQXFVSA-N 1 3 349.544 2.882 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]1CCc1ccccc1 ZINC000903883878 1313344610 /nfs/dbraw/zinc/34/46/10/1313344610.db2.gz LKHMNFFVSQRHPK-MOPGFXCFSA-N 1 3 339.487 2.800 20 0 EFADHO COc1ccc2c(OC)ccc(CN3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205735542 1313347035 /nfs/dbraw/zinc/34/70/35/1313347035.db2.gz NLVUUVHEFGHBOM-FQEVSTJZSA-N 1 3 344.455 2.533 20 0 EFADHO Fc1ccc(C[C@@H]2CCCN2Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903887063 1313352232 /nfs/dbraw/zinc/35/22/32/1313352232.db2.gz WYRSFUASGCHXFQ-ZWKOTPCHSA-N 1 3 343.450 2.549 20 0 EFADHO C[C@H](O)C[N@@H+]1Cc2ccccc2C2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001277957400 1313362031 /nfs/dbraw/zinc/36/20/31/1313362031.db2.gz BEFPIAWFRVXRLB-KRWDZBQOSA-N 1 3 339.483 2.745 20 0 EFADHO C[C@H](O)C[N@H+]1Cc2ccccc2C2(CCN(Cc3ccc[nH]3)CC2)C1 ZINC001277957400 1313362035 /nfs/dbraw/zinc/36/20/35/1313362035.db2.gz BEFPIAWFRVXRLB-KRWDZBQOSA-N 1 3 339.483 2.745 20 0 EFADHO CC1CC(CN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000930454571 1297268517 /nfs/dbraw/zinc/26/85/17/1297268517.db2.gz GRIJQRNRQQDRIT-MNLRITNHSA-N 1 3 327.516 2.925 20 0 EFADHO CC1CC(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000930454571 1297268523 /nfs/dbraw/zinc/26/85/23/1297268523.db2.gz GRIJQRNRQQDRIT-MNLRITNHSA-N 1 3 327.516 2.925 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000930681241 1297280995 /nfs/dbraw/zinc/28/09/95/1297280995.db2.gz UREJKVJWVHSBRV-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H](c2ccccc2)CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894842 1313367944 /nfs/dbraw/zinc/36/79/44/1313367944.db2.gz FVUFLYYRBOBJEL-NJAFHUGGSA-N 1 3 325.460 2.581 20 0 EFADHO c1ccc2oc(N3CCN(CC4CC5(C4)CC[NH2+]CC5)CC3)nc2c1 ZINC001235659034 1313367930 /nfs/dbraw/zinc/36/79/30/1313367930.db2.gz KKUZEYUFIRABDB-UHFFFAOYSA-N 1 3 340.471 2.730 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000960641843 1297346593 /nfs/dbraw/zinc/34/65/93/1297346593.db2.gz MRIGVMHCOSVAQX-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000960641843 1297346607 /nfs/dbraw/zinc/34/66/07/1297346607.db2.gz MRIGVMHCOSVAQX-ATZDWAIDSA-N 1 3 347.478 2.589 20 0 EFADHO COc1ccc(CN2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC001235690579 1313375969 /nfs/dbraw/zinc/37/59/69/1313375969.db2.gz JIACGRSEUOJVBW-UHFFFAOYSA-N 1 3 343.515 2.593 20 0 EFADHO c1csc(CCN2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)c1 ZINC001235691254 1313376924 /nfs/dbraw/zinc/37/69/24/1313376924.db2.gz HXMOFTMVLSJNEE-UHFFFAOYSA-N 1 3 341.524 2.754 20 0 EFADHO CCC[C@H]1CN(C[C@@H]([NH3+])CC(F)F)CCN1Cc1ccccc1 ZINC000903898694 1313377014 /nfs/dbraw/zinc/37/70/14/1313377014.db2.gz NKIPRGKLXPJFJF-IRXDYDNUSA-N 1 3 325.447 2.955 20 0 EFADHO C[C@@H]1[C@H](c2ccccc2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903899396 1313377596 /nfs/dbraw/zinc/37/75/96/1313377596.db2.gz UGFZQBPQLFNZOY-HHXXYDBFSA-N 1 3 325.460 2.581 20 0 EFADHO CC(C)(C)OC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235694719 1313378136 /nfs/dbraw/zinc/37/81/36/1313378136.db2.gz IUJAWDKDXWWDQE-GOSISDBHSA-N 1 3 330.472 2.886 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1)C1CCC1 ZINC000960668156 1297398511 /nfs/dbraw/zinc/39/85/11/1297398511.db2.gz MHFUZGSCEIXIGR-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1)C1CCC1 ZINC000960668156 1297398527 /nfs/dbraw/zinc/39/85/27/1297398527.db2.gz MHFUZGSCEIXIGR-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670157 1297403598 /nfs/dbraw/zinc/40/35/98/1297403598.db2.gz AHOJWPIPTXUPIT-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)C1CC1 ZINC000960670157 1297403605 /nfs/dbraw/zinc/40/36/05/1297403605.db2.gz AHOJWPIPTXUPIT-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC000960676560 1297409652 /nfs/dbraw/zinc/40/96/52/1297409652.db2.gz CAPXLVHZVYMTOI-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C1CC1)N(C)C ZINC000960676560 1297409659 /nfs/dbraw/zinc/40/96/59/1297409659.db2.gz CAPXLVHZVYMTOI-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683493 1297417971 /nfs/dbraw/zinc/41/79/71/1297417971.db2.gz RHKRXYLMHKMCCP-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683493 1297417977 /nfs/dbraw/zinc/41/79/77/1297417977.db2.gz RHKRXYLMHKMCCP-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)(NCc1cccc2c1CC[NH2+]C2)C(=O)NCC1CCCCC1 ZINC000903903966 1313384842 /nfs/dbraw/zinc/38/48/42/1313384842.db2.gz YVQZSYRUQFRERO-UHFFFAOYSA-N 1 3 343.515 2.897 20 0 EFADHO CN1C[C@@H]2C[N@@H+](Cc3ccc4cc(Br)cnc4c3)C[C@@H]2C1 ZINC001235733925 1313385301 /nfs/dbraw/zinc/38/53/01/1313385301.db2.gz NTXJGAJOBJRTPI-GASCZTMLSA-N 1 3 346.272 2.991 20 0 EFADHO CN1C[C@@H]2C[N@H+](Cc3ccc4cc(Br)cnc4c3)C[C@@H]2C1 ZINC001235733925 1313385304 /nfs/dbraw/zinc/38/53/04/1313385304.db2.gz NTXJGAJOBJRTPI-GASCZTMLSA-N 1 3 346.272 2.991 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850775 1313386235 /nfs/dbraw/zinc/38/62/35/1313386235.db2.gz UKHFGTMCOZXSQD-HZPDHXFCSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1)c1c[nH]cn1 ZINC001049850775 1313386238 /nfs/dbraw/zinc/38/62/38/1313386238.db2.gz UKHFGTMCOZXSQD-HZPDHXFCSA-N 1 3 330.476 2.553 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C)N(C)C ZINC000960698849 1297434533 /nfs/dbraw/zinc/43/45/33/1297434533.db2.gz AASZUKNYQDEBQP-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC000960698849 1297434536 /nfs/dbraw/zinc/43/45/36/1297434536.db2.gz AASZUKNYQDEBQP-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850937 1313386952 /nfs/dbraw/zinc/38/69/52/1313386952.db2.gz VAMNCQZHJCVYIV-IAGOWNOFSA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCC1)c1c[nH]cn1 ZINC001049850937 1313386956 /nfs/dbraw/zinc/38/69/56/1313386956.db2.gz VAMNCQZHJCVYIV-IAGOWNOFSA-N 1 3 344.503 2.943 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846234 1313380414 /nfs/dbraw/zinc/38/04/14/1313380414.db2.gz FVEOMJZFOHLNCX-HOTGVXAUSA-N 1 3 332.492 2.799 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049846234 1313380418 /nfs/dbraw/zinc/38/04/18/1313380418.db2.gz FVEOMJZFOHLNCX-HOTGVXAUSA-N 1 3 332.492 2.799 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000960711197 1297454044 /nfs/dbraw/zinc/45/40/44/1297454044.db2.gz OUEJXRNWABXXJT-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000960711197 1297454051 /nfs/dbraw/zinc/45/40/51/1297454051.db2.gz OUEJXRNWABXXJT-RTBURBONSA-N 1 3 347.478 2.733 20 0 EFADHO Clc1ccc(CO[C@@H]2CCC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235709350 1313381878 /nfs/dbraw/zinc/38/18/78/1313381878.db2.gz FGYWBPONSPWRIX-QZTJIDSGSA-N 1 3 338.879 2.700 20 0 EFADHO Clc1ccc(CO[C@@H]2CCC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235709350 1313381883 /nfs/dbraw/zinc/38/18/83/1313381883.db2.gz FGYWBPONSPWRIX-QZTJIDSGSA-N 1 3 338.879 2.700 20 0 EFADHO FC(F)(F)c1cccc([C@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)c1 ZINC001235713295 1313381892 /nfs/dbraw/zinc/38/18/92/1313381892.db2.gz WGAZJRQHSOEURZ-GOEBONIOSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1cccc([C@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)c1 ZINC001235713295 1313381896 /nfs/dbraw/zinc/38/18/96/1313381896.db2.gz WGAZJRQHSOEURZ-GOEBONIOSA-N 1 3 328.378 2.873 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960714891 1297465022 /nfs/dbraw/zinc/46/50/22/1297465022.db2.gz ZCNBNQLOEVWKRG-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC000960714891 1297465025 /nfs/dbraw/zinc/46/50/25/1297465025.db2.gz ZCNBNQLOEVWKRG-ZWKOTPCHSA-N 1 3 335.467 2.589 20 0 EFADHO Fc1cccnc1O[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903909911 1313396459 /nfs/dbraw/zinc/39/64/59/1313396459.db2.gz IFQOLCCHSLPQMU-QGZVFWFLSA-N 1 3 341.430 2.910 20 0 EFADHO Clc1ccc([C@@H]2CN(Cc3nc4c(s3)C[NH2+]CC4)CCN2)cc1 ZINC001235789883 1313396472 /nfs/dbraw/zinc/39/64/72/1313396472.db2.gz LGYBKGSBPVARGJ-HNNXBMFYSA-N 1 3 348.903 2.589 20 0 EFADHO CN(Cc1cccc(F)c1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001206049373 1313397212 /nfs/dbraw/zinc/39/72/12/1313397212.db2.gz KLXRFFUXRXZXLM-UHFFFAOYSA-N 1 3 327.447 2.863 20 0 EFADHO CC1(N2CCN(Cc3ccccc3-n3cccc3)CC2)CC[NH2+]CC1 ZINC001235823392 1313404849 /nfs/dbraw/zinc/40/48/49/1313404849.db2.gz YRPHZYWWJXVBKF-UHFFFAOYSA-N 1 3 338.499 2.737 20 0 EFADHO [NH3+]CCCCCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC001235795658 1313398703 /nfs/dbraw/zinc/39/87/03/1313398703.db2.gz ORFAXCSAWHEWRN-OAHLLOKOSA-N 1 3 326.282 2.524 20 0 EFADHO CC(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC12CCCCC2 ZINC000903912478 1313402426 /nfs/dbraw/zinc/40/24/26/1313402426.db2.gz FIKYOTHEZAFVGT-UHFFFAOYSA-N 1 3 341.499 2.699 20 0 EFADHO Clc1ccc([C@H]2C[NH2+]CCN2Cc2nc3c(s2)CNCC3)cc1 ZINC001235816010 1313403673 /nfs/dbraw/zinc/40/36/73/1313403673.db2.gz UABKIXIBFXJBIC-OAHLLOKOSA-N 1 3 348.903 2.589 20 0 EFADHO Clc1ccnc(N2CCN(CC3CC4(C3)CC[NH2+]CC4)CC2)c1 ZINC001235845482 1313408195 /nfs/dbraw/zinc/40/81/95/1313408195.db2.gz FZMIVZUKPJEXAF-UHFFFAOYSA-N 1 3 334.895 2.637 20 0 EFADHO Brc1ccc([C@@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235881410 1313414046 /nfs/dbraw/zinc/41/40/46/1313414046.db2.gz FMJBEGVLSZGZJK-GDBMZVCRSA-N 1 3 339.277 2.617 20 0 EFADHO Brc1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235881410 1313414049 /nfs/dbraw/zinc/41/40/49/1313414049.db2.gz FMJBEGVLSZGZJK-GDBMZVCRSA-N 1 3 339.277 2.617 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001017554363 1313411202 /nfs/dbraw/zinc/41/12/02/1313411202.db2.gz YHIDFYGMVYNRHG-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001017554363 1313411206 /nfs/dbraw/zinc/41/12/06/1313411206.db2.gz YHIDFYGMVYNRHG-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001017554363 1313411207 /nfs/dbraw/zinc/41/12/07/1313411207.db2.gz YHIDFYGMVYNRHG-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001017554363 1313411210 /nfs/dbraw/zinc/41/12/10/1313411210.db2.gz YHIDFYGMVYNRHG-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000935793519 1297663128 /nfs/dbraw/zinc/66/31/28/1297663128.db2.gz FOVFDHQPBIGUEO-PZJWPPBQSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935793519 1297663140 /nfs/dbraw/zinc/66/31/40/1297663140.db2.gz FOVFDHQPBIGUEO-PZJWPPBQSA-N 1 3 343.515 2.888 20 0 EFADHO COc1ccc(Cl)cc1N1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001235867417 1313412529 /nfs/dbraw/zinc/41/25/29/1313412529.db2.gz PQCGUBLAMLYTCH-HNNXBMFYSA-N 1 3 337.895 2.860 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC000960858754 1297691213 /nfs/dbraw/zinc/69/12/13/1297691213.db2.gz ABHIJUQSOIZFRS-FXAWDEMLSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC000960858754 1297691224 /nfs/dbraw/zinc/69/12/24/1297691224.db2.gz ABHIJUQSOIZFRS-FXAWDEMLSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000960858761 1297691916 /nfs/dbraw/zinc/69/19/16/1297691916.db2.gz ABHIJUQSOIZFRS-XLIONFOSSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000960858761 1297691922 /nfs/dbraw/zinc/69/19/22/1297691922.db2.gz ABHIJUQSOIZFRS-XLIONFOSSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000960858762 1297692214 /nfs/dbraw/zinc/69/22/14/1297692214.db2.gz ABHIJUQSOIZFRS-YLJYHZDGSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC000960858762 1297692219 /nfs/dbraw/zinc/69/22/19/1297692219.db2.gz ABHIJUQSOIZFRS-YLJYHZDGSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC000960859126 1297708591 /nfs/dbraw/zinc/70/85/91/1297708591.db2.gz BQKKISKCYIIJOL-QAPCUYQASA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2C)cs1 ZINC000960859126 1297708606 /nfs/dbraw/zinc/70/86/06/1297708606.db2.gz BQKKISKCYIIJOL-QAPCUYQASA-N 1 3 349.544 2.964 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859204 1297708790 /nfs/dbraw/zinc/70/87/90/1297708790.db2.gz CCVZUEKITAJQCB-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859204 1297708801 /nfs/dbraw/zinc/70/88/01/1297708801.db2.gz CCVZUEKITAJQCB-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859222 1297708840 /nfs/dbraw/zinc/70/88/40/1297708840.db2.gz CCVZUEKITAJQCB-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)Cc2ccc(F)cc2)C1 ZINC000960859222 1297708853 /nfs/dbraw/zinc/70/88/53/1297708853.db2.gz CCVZUEKITAJQCB-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO FC(F)(F)c1ccc([C@@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235919475 1313418116 /nfs/dbraw/zinc/41/81/16/1313418116.db2.gz VXDARSQICRTADW-GDBMZVCRSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1ccc([C@@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)cc1 ZINC001235919475 1313418119 /nfs/dbraw/zinc/41/81/19/1313418119.db2.gz VXDARSQICRTADW-GDBMZVCRSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1ccc([C@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235919477 1313418164 /nfs/dbraw/zinc/41/81/64/1313418164.db2.gz VXDARSQICRTADW-HOCLYGCPSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1ccc([C@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235919477 1313418166 /nfs/dbraw/zinc/41/81/66/1313418166.db2.gz VXDARSQICRTADW-HOCLYGCPSA-N 1 3 328.378 2.873 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCC2)C1 ZINC000960861744 1297712152 /nfs/dbraw/zinc/71/21/52/1297712152.db2.gz HYNMSOJPNZDMHK-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCC2)C1 ZINC000960861744 1297712156 /nfs/dbraw/zinc/71/21/56/1297712156.db2.gz HYNMSOJPNZDMHK-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC000960861688 1297713578 /nfs/dbraw/zinc/71/35/78/1297713578.db2.gz HCVQAHLOZMBPOS-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1 ZINC000960861688 1297713585 /nfs/dbraw/zinc/71/35/85/1297713585.db2.gz HCVQAHLOZMBPOS-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960864701 1297717744 /nfs/dbraw/zinc/71/77/44/1297717744.db2.gz VNNLVBCUVHKDQJ-RBUKOAKNSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960864701 1297717749 /nfs/dbraw/zinc/71/77/49/1297717749.db2.gz VNNLVBCUVHKDQJ-RBUKOAKNSA-N 1 3 331.504 2.696 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC000960863777 1297718959 /nfs/dbraw/zinc/71/89/59/1297718959.db2.gz NEZXSDBNKUHPDW-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@H](C)C2)c1 ZINC000960863777 1297718964 /nfs/dbraw/zinc/71/89/64/1297718964.db2.gz NEZXSDBNKUHPDW-AZUAARDMSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1CN(C)Cc1cccc(F)c1)[NH+](C)C ZINC000960864714 1297719063 /nfs/dbraw/zinc/71/90/63/1297719063.db2.gz VONWCNFUNNYHFZ-RBUKOAKNSA-N 1 3 349.494 2.835 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC000960863805 1297719151 /nfs/dbraw/zinc/71/91/51/1297719151.db2.gz NEZXSDBNKUHPDW-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC000960863805 1297719159 /nfs/dbraw/zinc/71/91/59/1297719159.db2.gz NEZXSDBNKUHPDW-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC000960867444 1297725021 /nfs/dbraw/zinc/72/50/21/1297725021.db2.gz XBMKQDLJPYCBLZ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960867444 1297725029 /nfs/dbraw/zinc/72/50/29/1297725029.db2.gz XBMKQDLJPYCBLZ-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960868906 1297729297 /nfs/dbraw/zinc/72/92/97/1297729297.db2.gz LSXNFUSVIKIDTG-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1)N(C)C ZINC000960868906 1297729309 /nfs/dbraw/zinc/72/93/09/1297729309.db2.gz LSXNFUSVIKIDTG-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CCN1CCc2ccc(CN(CCCOC)C3CC[NH2+]CC3)cc21 ZINC001235939707 1313420643 /nfs/dbraw/zinc/42/06/43/1313420643.db2.gz HPXCMEHATKKTEA-UHFFFAOYSA-N 1 3 331.504 2.660 20 0 EFADHO CCN1CCc2ccc(C[N@H+](CCCOC)C3CCNCC3)cc21 ZINC001235939707 1313420647 /nfs/dbraw/zinc/42/06/47/1313420647.db2.gz HPXCMEHATKKTEA-UHFFFAOYSA-N 1 3 331.504 2.660 20 0 EFADHO CCN1CCc2ccc(C[N@@H+](CCCOC)C3CCNCC3)cc21 ZINC001235939707 1313420650 /nfs/dbraw/zinc/42/06/50/1313420650.db2.gz HPXCMEHATKKTEA-UHFFFAOYSA-N 1 3 331.504 2.660 20 0 EFADHO CCN(Cc1ccc2n1CCNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001235947627 1313421948 /nfs/dbraw/zinc/42/19/48/1313421948.db2.gz DVTKQMUJKCJKJW-HXUWFJFHSA-N 1 3 338.499 2.688 20 0 EFADHO CCN(Cc1ccc2n1CCNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001235947627 1313421950 /nfs/dbraw/zinc/42/19/50/1313421950.db2.gz DVTKQMUJKCJKJW-HXUWFJFHSA-N 1 3 338.499 2.688 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCc2cccs2)CC1 ZINC001206273903 1313429627 /nfs/dbraw/zinc/42/96/27/1313429627.db2.gz CWAMJQRCSBRDOM-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO Fc1c(CN2CCCCC2)cccc1-c1ncnc2c1CC[NH2+]CC2 ZINC001236003317 1313430257 /nfs/dbraw/zinc/43/02/57/1313430257.db2.gz XTRIEZNINJWOLB-UHFFFAOYSA-N 1 3 340.446 2.957 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC(C[NH2+]CCCCCF)CC2)C1 ZINC001206288687 1313431889 /nfs/dbraw/zinc/43/18/89/1313431889.db2.gz VRNMHVQPIDMFBC-UHFFFAOYSA-N 1 3 341.515 2.686 20 0 EFADHO CC/C=C\CC[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206287780 1313432128 /nfs/dbraw/zinc/43/21/28/1313432128.db2.gz IIOGWPANSIRPBL-WAYWQWQTSA-N 1 3 335.536 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001206301736 1313432636 /nfs/dbraw/zinc/43/26/36/1313432636.db2.gz QCBMXKNLLIXSNS-IBGZPJMESA-N 1 3 349.494 2.537 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CCCCCF)CC1)CC(C)(C)C ZINC001206300893 1313432800 /nfs/dbraw/zinc/43/28/00/1313432800.db2.gz GASAVPNVJLQMKR-UHFFFAOYSA-N 1 3 343.531 2.932 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC000947616077 1297843204 /nfs/dbraw/zinc/84/32/04/1297843204.db2.gz OPUNKGTXMVRRRK-UONOGXRCSA-N 1 3 349.441 2.782 20 0 EFADHO C[C@]1(C[NH3+])CCCN(Cc2ccc(Br)cc2N)CC1 ZINC001206311488 1313434751 /nfs/dbraw/zinc/43/47/51/1313434751.db2.gz PYKOMTZXRKQHCH-HNNXBMFYSA-N 1 3 326.282 2.982 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC000947684279 1297856917 /nfs/dbraw/zinc/85/69/17/1297856917.db2.gz HBYORYLRTIXDLY-PBHICJAKSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC000947684281 1297856955 /nfs/dbraw/zinc/85/69/55/1297856955.db2.gz HBYORYLRTIXDLY-RHSMWYFYSA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@@H]1c2ccccc2CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001236061092 1313435905 /nfs/dbraw/zinc/43/59/05/1313435905.db2.gz UZZANQAJYUBRCV-HXUWFJFHSA-N 1 3 337.467 2.885 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017617171 1313440581 /nfs/dbraw/zinc/44/05/81/1313440581.db2.gz IAPYLAMBCXADHP-QRVBRYPASA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017617171 1313440584 /nfs/dbraw/zinc/44/05/84/1313440584.db2.gz IAPYLAMBCXADHP-QRVBRYPASA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017618725 1313441129 /nfs/dbraw/zinc/44/11/29/1313441129.db2.gz VFUGWFDWYQRSQU-WKXIVMOISA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001017618725 1313441132 /nfs/dbraw/zinc/44/11/32/1313441132.db2.gz VFUGWFDWYQRSQU-WKXIVMOISA-N 1 3 347.547 2.971 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC001236097704 1313441339 /nfs/dbraw/zinc/44/13/39/1313441339.db2.gz MGOPTUDFJXCUKO-NZSAHSFTSA-N 1 3 330.472 2.797 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C[C@@H]1CCC[NH2+]C1 ZINC001236097703 1313441410 /nfs/dbraw/zinc/44/14/10/1313441410.db2.gz MGOPTUDFJXCUKO-BHIYHBOVSA-N 1 3 330.472 2.797 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC001236128880 1313444646 /nfs/dbraw/zinc/44/46/46/1313444646.db2.gz PNIOVXIOXSOVPF-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO CCOc1ccc(Cl)cc1CN1CCC([NH+]2CCNCC2)CC1 ZINC001236129010 1313444805 /nfs/dbraw/zinc/44/48/05/1313444805.db2.gz UXHXWGKMJUQQGF-UHFFFAOYSA-N 1 3 337.895 2.608 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960978448 1297940261 /nfs/dbraw/zinc/94/02/61/1297940261.db2.gz MNNVHQYZIKPYDR-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccc(F)cc1)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000960978448 1297940265 /nfs/dbraw/zinc/94/02/65/1297940265.db2.gz MNNVHQYZIKPYDR-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026803 1298022567 /nfs/dbraw/zinc/02/25/67/1298022567.db2.gz GSWDZNJTUYREKJ-LJQANCHMSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961026803 1298022575 /nfs/dbraw/zinc/02/25/75/1298022575.db2.gz GSWDZNJTUYREKJ-LJQANCHMSA-N 1 3 347.478 2.653 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961026753 1298023307 /nfs/dbraw/zinc/02/33/07/1298023307.db2.gz FZCSUKUXKCNVBD-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961026753 1298023311 /nfs/dbraw/zinc/02/33/11/1298023311.db2.gz FZCSUKUXKCNVBD-FUHWJXTLSA-N 1 3 349.906 2.715 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)[C@@H]1CCc2ccccc21 ZINC000961027893 1298025925 /nfs/dbraw/zinc/02/59/25/1298025925.db2.gz LQXZGZCLJQJONZ-UYAOXDASSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)[C@@H]1CCc2ccccc21 ZINC000961027893 1298025929 /nfs/dbraw/zinc/02/59/29/1298025929.db2.gz LQXZGZCLJQJONZ-UYAOXDASSA-N 1 3 341.499 2.693 20 0 EFADHO CCOC(=O)C1(CC)CCN(Cc2ccc3c(c2)CC[NH2+]C3)CC1 ZINC001236266279 1313462355 /nfs/dbraw/zinc/46/23/55/1313462355.db2.gz OTIUTTANPHEILV-UHFFFAOYSA-N 1 3 330.472 2.888 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961030378 1298033349 /nfs/dbraw/zinc/03/33/49/1298033349.db2.gz VNNMHRFYZRDTJE-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961030378 1298033360 /nfs/dbraw/zinc/03/33/60/1298033360.db2.gz VNNMHRFYZRDTJE-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000961031079 1298035232 /nfs/dbraw/zinc/03/52/32/1298035232.db2.gz IFCHSGDAXBRKSC-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000961031079 1298035240 /nfs/dbraw/zinc/03/52/40/1298035240.db2.gz IFCHSGDAXBRKSC-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961031497 1298037248 /nfs/dbraw/zinc/03/72/48/1298037248.db2.gz YDRPJAIDSLDYOG-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961031497 1298037260 /nfs/dbraw/zinc/03/72/60/1298037260.db2.gz YDRPJAIDSLDYOG-LPHOPBHVSA-N 1 3 347.478 2.509 20 0 EFADHO CCOC(=O)[C@H]1CCC[C@H](c2ccccc2)N1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236278845 1313464543 /nfs/dbraw/zinc/46/45/43/1313464543.db2.gz WSPFMDUFGOTEIR-ICBNADEASA-N 1 3 328.456 2.611 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037268 1298049702 /nfs/dbraw/zinc/04/97/02/1298049702.db2.gz SDDDXKZXCOOJND-LPHOPBHVSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961037268 1298049710 /nfs/dbraw/zinc/04/97/10/1298049710.db2.gz SDDDXKZXCOOJND-LPHOPBHVSA-N 1 3 347.478 2.905 20 0 EFADHO Fc1cc(-c2ncnc3c2C[NH2+]CC3)ccc1CN1CCCCC1 ZINC001236233206 1313458274 /nfs/dbraw/zinc/45/82/74/1313458274.db2.gz LLFRXIXRHVDALG-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908255 1313467533 /nfs/dbraw/zinc/46/75/33/1313467533.db2.gz HAISOLMXVKHIRM-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908255 1313467536 /nfs/dbraw/zinc/46/75/36/1313467536.db2.gz HAISOLMXVKHIRM-MOPGFXCFSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908261 1313467579 /nfs/dbraw/zinc/46/75/79/1313467579.db2.gz HAISOLMXVKHIRM-RTBURBONSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908261 1313467582 /nfs/dbraw/zinc/46/75/82/1313467582.db2.gz HAISOLMXVKHIRM-RTBURBONSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308623 1313467677 /nfs/dbraw/zinc/46/76/77/1313467677.db2.gz UXKPQQMXUQBQJY-DOTOQJQBSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@@H]1CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308623 1313467679 /nfs/dbraw/zinc/46/76/79/1313467679.db2.gz UXKPQQMXUQBQJY-DOTOQJQBSA-N 1 3 325.447 2.541 20 0 EFADHO CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908257 1313467716 /nfs/dbraw/zinc/46/77/16/1313467716.db2.gz HAISOLMXVKHIRM-OALUTQOASA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(CN(C)C)c1 ZINC001049908257 1313467719 /nfs/dbraw/zinc/46/77/19/1313467719.db2.gz HAISOLMXVKHIRM-OALUTQOASA-N 1 3 329.488 2.837 20 0 EFADHO CCOC(=O)c1c(Cl)cccc1CN1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321508 1313468990 /nfs/dbraw/zinc/46/89/90/1313468990.db2.gz UUBTUFUVDKGMEX-OKILXGFUSA-N 1 3 336.863 2.948 20 0 EFADHO COc1cc(Br)cc(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1 ZINC001236320748 1313469405 /nfs/dbraw/zinc/46/94/05/1313469405.db2.gz DHVSSWUCTDRVTB-OKILXGFUSA-N 1 3 339.277 2.889 20 0 EFADHO Cn1c2ccccc2c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c1-c1ccccc1 ZINC001206525706 1313470998 /nfs/dbraw/zinc/47/09/98/1313470998.db2.gz ZXRIEKPSDSEOAD-JXFKEZNVSA-N 1 3 335.451 2.597 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCF)c1 ZINC001049912437 1313473939 /nfs/dbraw/zinc/47/39/39/1313473939.db2.gz KRNQBNGUAWDGKJ-RTBURBONSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCF)c1 ZINC001049912437 1313473940 /nfs/dbraw/zinc/47/39/40/1313473940.db2.gz KRNQBNGUAWDGKJ-RTBURBONSA-N 1 3 347.478 2.787 20 0 EFADHO C(c1nc2c(s1)CNCC2)N(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236375200 1313475002 /nfs/dbraw/zinc/47/50/02/1313475002.db2.gz JEKGLMWQCRKETF-CQSZACIVSA-N 1 3 334.533 2.533 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)CC[C@@H]1N ZINC001236412041 1313477346 /nfs/dbraw/zinc/47/73/46/1313477346.db2.gz RWIIGRIIRSSRJA-IRXDYDNUSA-N 1 3 338.407 2.908 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)CC[C@@H]1N ZINC001236412041 1313477349 /nfs/dbraw/zinc/47/73/49/1313477349.db2.gz RWIIGRIIRSSRJA-IRXDYDNUSA-N 1 3 338.407 2.908 20 0 EFADHO COC(=O)[C@H]1C[N@H+](CCCc2ccc(Cl)c(Cl)c2)CC[C@@H]1N ZINC001236412559 1313477671 /nfs/dbraw/zinc/47/76/71/1313477671.db2.gz WRIFBACQUWQEAQ-WFASDCNBSA-N 1 3 345.270 2.748 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](CCCc2ccc(Cl)c(Cl)c2)CC[C@@H]1N ZINC001236412559 1313477673 /nfs/dbraw/zinc/47/76/73/1313477673.db2.gz WRIFBACQUWQEAQ-WFASDCNBSA-N 1 3 345.270 2.748 20 0 EFADHO COC(=O)c1cc2cc(CN3CCCC[C@@](C)(C[NH3+])C3)ccc2[nH]1 ZINC001206573188 1313477978 /nfs/dbraw/zinc/47/79/78/1313477978.db2.gz JJODPWGTQZGMJZ-IBGZPJMESA-N 1 3 329.444 2.905 20 0 EFADHO CN1CCN(c2cc(CN3CCCC[C@@](C)(C[NH3+])C3)ccc2F)CC1 ZINC001206573853 1313478312 /nfs/dbraw/zinc/47/83/12/1313478312.db2.gz OMGPBJKWSWYAHP-FQEVSTJZSA-N 1 3 348.510 2.528 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017694788 1313478563 /nfs/dbraw/zinc/47/85/63/1313478563.db2.gz BWWIEKWWFFSDPA-AKHDSKFASA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017694788 1313478567 /nfs/dbraw/zinc/47/85/67/1313478567.db2.gz BWWIEKWWFFSDPA-AKHDSKFASA-N 1 3 335.536 2.828 20 0 EFADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206583671 1313479297 /nfs/dbraw/zinc/47/92/97/1313479297.db2.gz ZOMJCNICEJIZLT-CTNGQTDRSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206583671 1313479299 /nfs/dbraw/zinc/47/92/99/1313479299.db2.gz ZOMJCNICEJIZLT-CTNGQTDRSA-N 1 3 345.531 2.551 20 0 EFADHO CCOCC[N@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001236459734 1313483078 /nfs/dbraw/zinc/48/30/78/1313483078.db2.gz DMHFZTMNDFMZLD-MRXNPFEDSA-N 1 3 348.487 2.684 20 0 EFADHO CCOCC[N@@H+](C[C@H](C)Cc1ccc2c(c1)OCO2)C1CCNCC1 ZINC001236459734 1313483080 /nfs/dbraw/zinc/48/30/80/1313483080.db2.gz DMHFZTMNDFMZLD-MRXNPFEDSA-N 1 3 348.487 2.684 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178249 1298255607 /nfs/dbraw/zinc/25/56/07/1298255607.db2.gz CGNLMVZPSVAQAK-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961178249 1298255624 /nfs/dbraw/zinc/25/56/24/1298255624.db2.gz CGNLMVZPSVAQAK-MOPGFXCFSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCF ZINC001049918808 1313483623 /nfs/dbraw/zinc/48/36/23/1313483623.db2.gz MQPGZLYGHISNAH-RBUKOAKNSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001049918808 1313483625 /nfs/dbraw/zinc/48/36/25/1313483625.db2.gz MQPGZLYGHISNAH-RBUKOAKNSA-N 1 3 347.478 2.787 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181354 1298259913 /nfs/dbraw/zinc/25/99/13/1298259913.db2.gz JKXBCDHOSNTWPI-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC000961181354 1298259922 /nfs/dbraw/zinc/25/99/22/1298259922.db2.gz JKXBCDHOSNTWPI-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183319 1298266157 /nfs/dbraw/zinc/26/61/57/1298266157.db2.gz MIJDOLBUOGUPSW-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961183319 1298266166 /nfs/dbraw/zinc/26/61/66/1298266166.db2.gz MIJDOLBUOGUPSW-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CN(Cc1cccc(N2CCN(C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC001236476642 1313485238 /nfs/dbraw/zinc/48/52/38/1313485238.db2.gz ZQNFJJFFEULFRA-OAQYLSRUSA-N 1 3 344.547 2.648 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188227 1298274106 /nfs/dbraw/zinc/27/41/06/1298274106.db2.gz UORPTTGMTBSNAQ-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC000961188227 1298274111 /nfs/dbraw/zinc/27/41/11/1298274111.db2.gz UORPTTGMTBSNAQ-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(O[C@@H]2CCN(Cc3cc4c(s3)C[NH2+]CC4)C2)nc1 ZINC001236534695 1313489507 /nfs/dbraw/zinc/48/95/07/1313489507.db2.gz NEICYNWIZUACDT-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO CC(C)(C)OC(=O)NCCN(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236564093 1313493037 /nfs/dbraw/zinc/49/30/37/1313493037.db2.gz FOFHHKQXCAERQK-QAQDUYKDSA-N 1 3 348.491 2.678 20 0 EFADHO C[N@H+](CC[C@H]1COC(C)(C)N1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001236583038 1313494013 /nfs/dbraw/zinc/49/40/13/1313494013.db2.gz BZAKMHFMZYQRCK-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO C[N@@H+](CC[C@H]1COC(C)(C)N1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001236583038 1313494016 /nfs/dbraw/zinc/49/40/16/1313494016.db2.gz BZAKMHFMZYQRCK-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO C[N@H+](CC[C@H]1COC(C)(C)N1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001236583033 1313494073 /nfs/dbraw/zinc/49/40/73/1313494073.db2.gz BZAKMHFMZYQRCK-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO C[N@@H+](CC[C@H]1COC(C)(C)N1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001236583033 1313494075 /nfs/dbraw/zinc/49/40/75/1313494075.db2.gz BZAKMHFMZYQRCK-OALUTQOASA-N 1 3 331.504 2.697 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000961229122 1298370714 /nfs/dbraw/zinc/37/07/14/1298370714.db2.gz HJUONYQRBQEFHE-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000961229122 1298370726 /nfs/dbraw/zinc/37/07/26/1298370726.db2.gz HJUONYQRBQEFHE-QZTJIDSGSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000961262035 1298443907 /nfs/dbraw/zinc/44/39/07/1298443907.db2.gz OBXVGPPPPVCULV-VQTJNVASSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000961262035 1298443917 /nfs/dbraw/zinc/44/39/17/1298443917.db2.gz OBXVGPPPPVCULV-VQTJNVASSA-N 1 3 347.547 2.689 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(CC2CCCCCC2)C1 ZINC000951609265 1298463238 /nfs/dbraw/zinc/46/32/38/1298463238.db2.gz VDNAZAQLVAMMEH-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCC2CC2)c1 ZINC001096604678 1313508909 /nfs/dbraw/zinc/50/89/09/1313508909.db2.gz LPXLBNNQVOXLIH-AABGKKOBSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC2CC2)c1 ZINC001096604678 1313508912 /nfs/dbraw/zinc/50/89/12/1313508912.db2.gz LPXLBNNQVOXLIH-AABGKKOBSA-N 1 3 341.499 2.883 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497003 1313519816 /nfs/dbraw/zinc/51/98/16/1313519816.db2.gz PFOMJMLENMNTQL-QUCCMNQESA-N 1 3 330.520 2.644 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCC[C@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497003 1313519819 /nfs/dbraw/zinc/51/98/19/1313519819.db2.gz PFOMJMLENMNTQL-QUCCMNQESA-N 1 3 330.520 2.644 20 0 EFADHO Cc1cccc(CN(Cc2cnc(N)cn2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236740470 1313520312 /nfs/dbraw/zinc/52/03/12/1313520312.db2.gz AUFHAKVWIDSLLF-SAABIXHNSA-N 1 3 325.460 2.639 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497001 1313520339 /nfs/dbraw/zinc/52/03/39/1313520339.db2.gz PFOMJMLENMNTQL-AZUAARDMSA-N 1 3 330.520 2.644 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@@]3(CCN(Cc4ccc[nH]4)C3)C2)C1 ZINC001276497001 1313520341 /nfs/dbraw/zinc/52/03/41/1313520341.db2.gz PFOMJMLENMNTQL-AZUAARDMSA-N 1 3 330.520 2.644 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961337368 1298573359 /nfs/dbraw/zinc/57/33/59/1298573359.db2.gz BSMNTOCOMFIOBE-VQTJNVASSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000961337368 1298573366 /nfs/dbraw/zinc/57/33/66/1298573366.db2.gz BSMNTOCOMFIOBE-VQTJNVASSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017765769 1313517398 /nfs/dbraw/zinc/51/73/98/1313517398.db2.gz LNPNPDNWGKGKQO-YSHGAJCASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017766587 1313518035 /nfs/dbraw/zinc/51/80/35/1313518035.db2.gz ZWURNAAMJKYSPQ-CEXWTWQISA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017766589 1313518129 /nfs/dbraw/zinc/51/81/29/1313518129.db2.gz ZWURNAAMJKYSPQ-OTWHNJEPSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001211286844 1314469905 /nfs/dbraw/zinc/46/99/05/1314469905.db2.gz YBXKYTYROVILDE-MAUKXSAKSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903971741 1313518322 /nfs/dbraw/zinc/51/83/22/1313518322.db2.gz CSBYZGQNSPPPNB-HOJAQTOUSA-N 1 3 343.515 2.570 20 0 EFADHO COC(=O)c1cc(CN2CCC3(CC2)CC[NH+](C)CC3)cc(OC)c1 ZINC001236767048 1313525492 /nfs/dbraw/zinc/52/54/92/1313525492.db2.gz YXLNVCRYTCEXCW-UHFFFAOYSA-N 1 3 346.471 2.790 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373404 1298637585 /nfs/dbraw/zinc/63/75/85/1298637585.db2.gz HCICHEMMPWPVRT-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373404 1298637599 /nfs/dbraw/zinc/63/75/99/1298637599.db2.gz HCICHEMMPWPVRT-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC000961400231 1298689819 /nfs/dbraw/zinc/68/98/19/1298689819.db2.gz FKRKRGPMGCGZQK-RTBURBONSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1)N(C)C ZINC000961400231 1298689837 /nfs/dbraw/zinc/68/98/37/1298689837.db2.gz FKRKRGPMGCGZQK-RTBURBONSA-N 1 3 337.552 2.932 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405727 1298699708 /nfs/dbraw/zinc/69/97/08/1298699708.db2.gz LPZYYENLADYPSD-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC000961405727 1298699714 /nfs/dbraw/zinc/69/97/14/1298699714.db2.gz LPZYYENLADYPSD-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410239 1298705557 /nfs/dbraw/zinc/70/55/57/1298705557.db2.gz FSOWJBQEWPBJFQ-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961410239 1298705567 /nfs/dbraw/zinc/70/55/67/1298705567.db2.gz FSOWJBQEWPBJFQ-IEBWSBKVSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001206890178 1313540899 /nfs/dbraw/zinc/54/08/99/1313540899.db2.gz DGYVDAFYKPDYCR-UHFFFAOYSA-N 1 3 335.536 2.737 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001206890617 1313541228 /nfs/dbraw/zinc/54/12/28/1313541228.db2.gz ZZMYYMUKOMEKJX-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443337 1298755019 /nfs/dbraw/zinc/75/50/19/1298755019.db2.gz VMZCYTRXDUVYNL-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961443337 1298755031 /nfs/dbraw/zinc/75/50/31/1298755031.db2.gz VMZCYTRXDUVYNL-FQEVSTJZSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)N1CCCC1 ZINC000961456980 1298765507 /nfs/dbraw/zinc/76/55/07/1298765507.db2.gz ISJDHJZMLKGBPE-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)N1CCCC1 ZINC000961456980 1298765513 /nfs/dbraw/zinc/76/55/13/1298765513.db2.gz ISJDHJZMLKGBPE-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236975192 1313564133 /nfs/dbraw/zinc/56/41/33/1313564133.db2.gz HKQPPOXREVSNEJ-SJORKVTESA-N 1 3 341.421 2.735 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236975192 1313564136 /nfs/dbraw/zinc/56/41/36/1313564136.db2.gz HKQPPOXREVSNEJ-SJORKVTESA-N 1 3 341.421 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN([C@@H](C)c2cccc(C)c2)C1 ZINC001490454939 1298930572 /nfs/dbraw/zinc/93/05/72/1298930572.db2.gz YGYNBOVLVTZIQJ-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN([C@@H](C)c2cccc(C)c2)C1 ZINC001490454939 1298930580 /nfs/dbraw/zinc/93/05/80/1298930580.db2.gz YGYNBOVLVTZIQJ-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1 ZINC001206954443 1313570091 /nfs/dbraw/zinc/57/00/91/1313570091.db2.gz JISGUTIKBWMOAS-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001278042417 1313572075 /nfs/dbraw/zinc/57/20/75/1313572075.db2.gz VFBXUEVKKAWQDF-ZACQAIPSSA-N 1 3 347.503 2.889 20 0 EFADHO C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2CC[N@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001278042417 1313572078 /nfs/dbraw/zinc/57/20/78/1313572078.db2.gz VFBXUEVKKAWQDF-ZACQAIPSSA-N 1 3 347.503 2.889 20 0 EFADHO CN(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC001278048385 1313581194 /nfs/dbraw/zinc/58/11/94/1313581194.db2.gz NUGHKLWTQSTFFK-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO CN(C)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC001278048385 1313581197 /nfs/dbraw/zinc/58/11/97/1313581197.db2.gz NUGHKLWTQSTFFK-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222288 1299030518 /nfs/dbraw/zinc/03/05/18/1299030518.db2.gz QLRZKOYAROEVLI-DLBZAZTESA-N 1 3 340.471 2.884 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222288 1299030527 /nfs/dbraw/zinc/03/05/27/1299030527.db2.gz QLRZKOYAROEVLI-DLBZAZTESA-N 1 3 340.471 2.884 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001110615144 1299107409 /nfs/dbraw/zinc/10/74/09/1299107409.db2.gz HJCBHBCPBHKRNU-TWMKSMIVSA-N 1 3 345.478 2.528 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110615144 1299107416 /nfs/dbraw/zinc/10/74/16/1299107416.db2.gz HJCBHBCPBHKRNU-TWMKSMIVSA-N 1 3 345.478 2.528 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000961776085 1299109579 /nfs/dbraw/zinc/10/95/79/1299109579.db2.gz VWTKAMDAIDWMAJ-WOGUSJMUSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC000961776085 1299109585 /nfs/dbraw/zinc/10/95/85/1299109585.db2.gz VWTKAMDAIDWMAJ-WOGUSJMUSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CC(NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC000961829479 1299145625 /nfs/dbraw/zinc/14/56/25/1299145625.db2.gz PDUNGIAWNKWSEG-UUKMXZOPSA-N 1 3 343.515 2.852 20 0 EFADHO CN1CCN(c2cccc(CN(C3CCC3)[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC001237154486 1313593851 /nfs/dbraw/zinc/59/38/51/1313593851.db2.gz CRXMEEJEWYRTQH-OAQYLSRUSA-N 1 3 342.531 2.545 20 0 EFADHO CC(=O)N1CCC(CN2CCCC3(C[NH+](C4CCCC4)C3)C2)CC1 ZINC001276504455 1313599427 /nfs/dbraw/zinc/59/94/27/1313599427.db2.gz HAPYDWBZYDWHQW-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)C/C=C/Cl)C2)CC1 ZINC001490773474 1299229275 /nfs/dbraw/zinc/22/92/75/1299229275.db2.gz GSEHJEVSMBKEHU-AUNFYEFLSA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001490773474 1299229287 /nfs/dbraw/zinc/22/92/87/1299229287.db2.gz GSEHJEVSMBKEHU-AUNFYEFLSA-N 1 3 341.927 2.641 20 0 EFADHO CN(C/C=C/Cl)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490774547 1299233462 /nfs/dbraw/zinc/23/34/62/1299233462.db2.gz IYYBBDCWSPQNST-AUNFYEFLSA-N 1 3 341.927 2.641 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961944376 1299262296 /nfs/dbraw/zinc/26/22/96/1299262296.db2.gz KQJGRDKAJBYEIU-HCXYKTFWSA-N 1 3 335.536 2.732 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC000961944376 1299262308 /nfs/dbraw/zinc/26/23/08/1299262308.db2.gz KQJGRDKAJBYEIU-HCXYKTFWSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000961948481 1299265365 /nfs/dbraw/zinc/26/53/65/1299265365.db2.gz SRJYMCKQCSVEKT-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000961948481 1299265370 /nfs/dbraw/zinc/26/53/70/1299265370.db2.gz SRJYMCKQCSVEKT-ZGXWSNOMSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21)N1CCCCCC1 ZINC000961958020 1299272441 /nfs/dbraw/zinc/27/24/41/1299272441.db2.gz LSQQONRGZPSPFB-WNRNVDISSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21)N1CCCCCC1 ZINC000961958020 1299272448 /nfs/dbraw/zinc/27/24/48/1299272448.db2.gz LSQQONRGZPSPFB-WNRNVDISSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000962304692 1299565286 /nfs/dbraw/zinc/56/52/86/1299565286.db2.gz CEQGQCHJYUINJN-MXWWQKGMSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000852293020 1299636162 /nfs/dbraw/zinc/63/61/62/1299636162.db2.gz IOWOXSASWZBZQZ-KRWDZBQOSA-N 1 3 346.519 2.887 20 0 EFADHO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000852293020 1299636167 /nfs/dbraw/zinc/63/61/67/1299636167.db2.gz IOWOXSASWZBZQZ-KRWDZBQOSA-N 1 3 346.519 2.887 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2c(C)cccc2Cl)CCC12C[NH2+]C2 ZINC001237430223 1313643386 /nfs/dbraw/zinc/64/33/86/1313643386.db2.gz KSYGRNDMUWANHR-OAHLLOKOSA-N 1 3 336.863 2.623 20 0 EFADHO CCC/C=C\CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262635 1313647541 /nfs/dbraw/zinc/64/75/41/1313647541.db2.gz KANDHEASYJJGRR-XHVFGDHJSA-N 1 3 341.515 2.849 20 0 EFADHO CCC/C=C\CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CN(CC)CC)C1 ZINC001207262635 1313647545 /nfs/dbraw/zinc/64/75/45/1313647545.db2.gz KANDHEASYJJGRR-XHVFGDHJSA-N 1 3 341.515 2.849 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278951 1313650329 /nfs/dbraw/zinc/65/03/29/1313650329.db2.gz HNBVHDOYPICUAY-UHFFFAOYSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001207278951 1313650334 /nfs/dbraw/zinc/65/03/34/1313650334.db2.gz HNBVHDOYPICUAY-UHFFFAOYSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207279676 1313650448 /nfs/dbraw/zinc/65/04/48/1313650448.db2.gz OSZVZKWPLLTIGI-LSDHHAIUSA-N 1 3 325.497 2.515 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001207279676 1313650453 /nfs/dbraw/zinc/65/04/53/1313650453.db2.gz OSZVZKWPLLTIGI-LSDHHAIUSA-N 1 3 325.497 2.515 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001207281943 1313651156 /nfs/dbraw/zinc/65/11/56/1313651156.db2.gz KGEKUPLFIZHBRF-GOSISDBHSA-N 1 3 343.515 2.570 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001207281650 1313651377 /nfs/dbraw/zinc/65/13/77/1313651377.db2.gz HCKZKXJIGRITSM-JKSUJKDBSA-N 1 3 336.549 2.627 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001207281650 1313651381 /nfs/dbraw/zinc/65/13/81/1313651381.db2.gz HCKZKXJIGRITSM-JKSUJKDBSA-N 1 3 336.549 2.627 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC000962596849 1299852617 /nfs/dbraw/zinc/85/26/17/1299852617.db2.gz CEFDWAQRERJAAK-UHFFFAOYSA-N 1 3 346.862 2.599 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001207282363 1313651701 /nfs/dbraw/zinc/65/17/01/1313651701.db2.gz OIBRRWQEWOUMQK-IEBWSBKVSA-N 1 3 349.494 2.551 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018025628 1313647334 /nfs/dbraw/zinc/64/73/34/1313647334.db2.gz HKHNHSOWDHISEW-INDMIFKZSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018025628 1313647338 /nfs/dbraw/zinc/64/73/38/1313647338.db2.gz HKHNHSOWDHISEW-INDMIFKZSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001018025628 1313647342 /nfs/dbraw/zinc/64/73/42/1313647342.db2.gz HKHNHSOWDHISEW-INDMIFKZSA-N 1 3 335.536 2.971 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1C(C)C ZINC001018025628 1313647344 /nfs/dbraw/zinc/64/73/44/1313647344.db2.gz HKHNHSOWDHISEW-INDMIFKZSA-N 1 3 335.536 2.971 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000962602391 1299862270 /nfs/dbraw/zinc/86/22/70/1299862270.db2.gz NNUOJIAVQRCNPU-MKQDKFQKSA-N 1 3 344.434 2.645 20 0 EFADHO C[NH+](C)CC(C)(C)CN1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001207282898 1313652067 /nfs/dbraw/zinc/65/20/67/1313652067.db2.gz XSGXWBCMDATPQH-UYAOXDASSA-N 1 3 338.536 2.729 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(N2c3ccccc3CC2=O)CC1 ZINC001207285910 1313652777 /nfs/dbraw/zinc/65/27/77/1313652777.db2.gz QBTNCQWTMIGCRC-UHFFFAOYSA-N 1 3 329.488 2.628 20 0 EFADHO COC(=O)[C@H]1C[N@H+](CC(C)(C)CN(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001207288651 1313653552 /nfs/dbraw/zinc/65/35/52/1313653552.db2.gz UOFBGYVZGNTKGD-SJORKVTESA-N 1 3 336.451 2.602 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](CC(C)(C)CN(C)C)C[C@@H]1c1ccc(F)cc1 ZINC001207288651 1313653555 /nfs/dbraw/zinc/65/35/55/1313653555.db2.gz UOFBGYVZGNTKGD-SJORKVTESA-N 1 3 336.451 2.602 20 0 EFADHO CN1CC[C@]2(CC[N@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317697 1313658378 /nfs/dbraw/zinc/65/83/78/1313658378.db2.gz HAHDBDKZONVUGQ-APWZRJJASA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317697 1313658379 /nfs/dbraw/zinc/65/83/79/1313658379.db2.gz HAHDBDKZONVUGQ-APWZRJJASA-N 1 3 337.508 2.804 20 0 EFADHO C[NH+]1CCC2(CN(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001207318154 1313658605 /nfs/dbraw/zinc/65/86/05/1313658605.db2.gz JXSYMXSHMTUUOP-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000962759498 1300017286 /nfs/dbraw/zinc/01/72/86/1300017286.db2.gz BVTPCMISZVQLOY-BWTSREIZSA-N 1 3 343.515 2.844 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000962759498 1300017294 /nfs/dbraw/zinc/01/72/94/1300017294.db2.gz BVTPCMISZVQLOY-BWTSREIZSA-N 1 3 343.515 2.844 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962769196 1300030942 /nfs/dbraw/zinc/03/09/42/1300030942.db2.gz DQNUZESVSIZGSZ-PMOLBWCYSA-N 1 3 343.515 2.844 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CN(C)C ZINC000962769196 1300030953 /nfs/dbraw/zinc/03/09/53/1300030953.db2.gz DQNUZESVSIZGSZ-PMOLBWCYSA-N 1 3 343.515 2.844 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CC(C[NH2+]CC3CCC3)C2)c1 ZINC000962810582 1300089199 /nfs/dbraw/zinc/08/91/99/1300089199.db2.gz PTPQKCUEFIQKOR-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CC[NH+](C)CC1 ZINC001207398329 1313675014 /nfs/dbraw/zinc/67/50/14/1313675014.db2.gz IIJLZZBHTIDTOH-INIZCTEOSA-N 1 3 325.497 2.660 20 0 EFADHO CCOc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c(F)c1 ZINC001237630493 1313680424 /nfs/dbraw/zinc/68/04/24/1313680424.db2.gz WCOVVSDJFHDTIX-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306180 1300554550 /nfs/dbraw/zinc/55/45/50/1300554550.db2.gz MRWONPDNRYDYCH-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306180 1300554555 /nfs/dbraw/zinc/55/45/55/1300554555.db2.gz MRWONPDNRYDYCH-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314379 1300576126 /nfs/dbraw/zinc/57/61/26/1300576126.db2.gz KLMXPSJYYCAWRO-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314379 1300576129 /nfs/dbraw/zinc/57/61/29/1300576129.db2.gz KLMXPSJYYCAWRO-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC3CCC3)C2)CCC1 ZINC000963314566 1300578125 /nfs/dbraw/zinc/57/81/25/1300578125.db2.gz NGTQFZKDBZKIBB-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC3CCC3)C2)CCC1 ZINC000963314566 1300578130 /nfs/dbraw/zinc/57/81/30/1300578130.db2.gz NGTQFZKDBZKIBB-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCCF)C1)C1CCC1 ZINC000963315228 1300580598 /nfs/dbraw/zinc/58/05/98/1300580598.db2.gz RTGHHQRZSQDWHX-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCCF)C1)C1CCC1 ZINC000963315228 1300580601 /nfs/dbraw/zinc/58/06/01/1300580601.db2.gz RTGHHQRZSQDWHX-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315194 1300580710 /nfs/dbraw/zinc/58/07/10/1300580710.db2.gz RHIZGYLEJVLBHG-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000963315194 1300580716 /nfs/dbraw/zinc/58/07/16/1300580716.db2.gz RHIZGYLEJVLBHG-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@H+]1CC[C@H]2CN(Cc3cc(O)ccc3Br)C[C@H]2CC1 ZINC001276539139 1313709025 /nfs/dbraw/zinc/70/90/25/1313709025.db2.gz OOEFAQPFUSVVNQ-BETUJISGSA-N 1 3 339.277 2.928 20 0 EFADHO C[N@@H+]1CC[C@H]2CN(Cc3cc(O)ccc3Br)C[C@H]2CC1 ZINC001276539139 1313709028 /nfs/dbraw/zinc/70/90/28/1313709028.db2.gz OOEFAQPFUSVVNQ-BETUJISGSA-N 1 3 339.277 2.928 20 0 EFADHO CC[NH+](CC)CCN1CCN(CCCc2cccc(OC)c2)CC1 ZINC001207554910 1313715436 /nfs/dbraw/zinc/71/54/36/1313715436.db2.gz SPTTZEYEKHEQRA-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](CCN4CCCCC4)C[C@H]3CC2)c1 ZINC001278154528 1313720161 /nfs/dbraw/zinc/72/01/61/1313720161.db2.gz STCOXBCGWCNJGD-KDURUIRLSA-N 1 3 330.520 2.644 20 0 EFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](CCN4CCCCC4)C[C@H]3CC2)c1 ZINC001278154528 1313720163 /nfs/dbraw/zinc/72/01/63/1313720163.db2.gz STCOXBCGWCNJGD-KDURUIRLSA-N 1 3 330.520 2.644 20 0 EFADHO c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](CCN2CCCCC2)C3)c1 ZINC001278154939 1313721110 /nfs/dbraw/zinc/72/11/10/1313721110.db2.gz YYHALXYQNOBWAY-FQEVSTJZSA-N 1 3 330.520 2.789 20 0 EFADHO c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](CCN2CCCCC2)C3)c1 ZINC001278154939 1313721113 /nfs/dbraw/zinc/72/11/13/1313721113.db2.gz YYHALXYQNOBWAY-FQEVSTJZSA-N 1 3 330.520 2.789 20 0 EFADHO CNC(=O)C1CC[NH+](Cc2ccc3c(c2)C(C(C)C)=NCC3)CC1 ZINC001237881266 1313726005 /nfs/dbraw/zinc/72/60/05/1313726005.db2.gz PSNKFAHSSBUPDX-UHFFFAOYSA-N 1 3 327.472 2.646 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CCC(=O)N4)CC3)cc21 ZINC001237888254 1313726620 /nfs/dbraw/zinc/72/66/20/1313726620.db2.gz BHMGZMYCOZPEOQ-UHFFFAOYSA-N 1 3 339.483 2.932 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000776806158 1300912570 /nfs/dbraw/zinc/91/25/70/1300912570.db2.gz QJHASQBROYKSBM-KRWDZBQOSA-N 1 3 330.520 2.971 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641550 1313737407 /nfs/dbraw/zinc/73/74/07/1313737407.db2.gz SLGIAXLIQAIBQE-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001207641550 1313737410 /nfs/dbraw/zinc/73/74/10/1313737410.db2.gz SLGIAXLIQAIBQE-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C)N(C)C ZINC001207652751 1313741425 /nfs/dbraw/zinc/74/14/25/1313741425.db2.gz KLIYHUBZQXJHEB-QRQLOZEOSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C)N(C)C ZINC001207652751 1313741427 /nfs/dbraw/zinc/74/14/27/1313741427.db2.gz KLIYHUBZQXJHEB-QRQLOZEOSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001207652670 1313741512 /nfs/dbraw/zinc/74/15/12/1313741512.db2.gz GEAYSDLQZFWJSM-NXHRZFHOSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1C)N(C)C ZINC001207652670 1313741516 /nfs/dbraw/zinc/74/15/16/1313741516.db2.gz GEAYSDLQZFWJSM-NXHRZFHOSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001202495247 1301229652 /nfs/dbraw/zinc/22/96/52/1301229652.db2.gz ATNBUJNAIWGDFH-DNXKIMQPSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCC1)N1CCCCC1 ZINC001037009609 1301287858 /nfs/dbraw/zinc/28/78/58/1301287858.db2.gz NNKRHYSLHMEXRE-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)c1 ZINC001207757754 1313765943 /nfs/dbraw/zinc/76/59/43/1313765943.db2.gz LDLVEVBHUXFERP-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(CN2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)c1 ZINC001207757754 1313765947 /nfs/dbraw/zinc/76/59/47/1313765947.db2.gz LDLVEVBHUXFERP-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001207757576 1313766222 /nfs/dbraw/zinc/76/62/22/1313766222.db2.gz GNUHFRFWRFQHDM-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001207757576 1313766225 /nfs/dbraw/zinc/76/62/25/1313766225.db2.gz GNUHFRFWRFQHDM-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000963902837 1301454067 /nfs/dbraw/zinc/45/40/67/1301454067.db2.gz ROGWCYNKZFAHEQ-IVMQYODDSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CCC[NH+]1CCCC1)C[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001207776724 1313771179 /nfs/dbraw/zinc/77/11/79/1313771179.db2.gz FNBVGLIVFVEBLN-OSYLJGHBSA-N 1 3 337.508 2.517 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904534 1301567056 /nfs/dbraw/zinc/56/70/56/1301567056.db2.gz HILSFMKCFDHQMD-MLGOLLRUSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000037904534 1301567063 /nfs/dbraw/zinc/56/70/63/1301567063.db2.gz HILSFMKCFDHQMD-MLGOLLRUSA-N 1 3 339.277 2.556 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(Br)c1 ZINC000037904534 1301567073 /nfs/dbraw/zinc/56/70/73/1301567073.db2.gz HILSFMKCFDHQMD-MLGOLLRUSA-N 1 3 339.277 2.556 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207796706 1313777272 /nfs/dbraw/zinc/77/72/72/1313777272.db2.gz ZWJZAQNYUFLLQI-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCN2CC(C)C)C1 ZINC001207796706 1313777277 /nfs/dbraw/zinc/77/72/77/1313777277.db2.gz ZWJZAQNYUFLLQI-QRVBRYPASA-N 1 3 337.552 2.980 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207853414 1313789250 /nfs/dbraw/zinc/78/92/50/1313789250.db2.gz OWWNLIHEUSESCM-PMACEKPBSA-N 1 3 344.499 2.921 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207853417 1313789471 /nfs/dbraw/zinc/78/94/71/1313789471.db2.gz OWWNLIHEUSESCM-WOJBJXKFSA-N 1 3 344.499 2.921 20 0 EFADHO C[C@H](F)CC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202504244 1301769092 /nfs/dbraw/zinc/76/90/92/1301769092.db2.gz SDHDJCPFWCFOQL-KSSFIOAISA-N 1 3 345.478 2.528 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCCC1)N1CCCC1 ZINC001037057265 1302077162 /nfs/dbraw/zinc/07/71/62/1302077162.db2.gz SHTGXNSZYALKDI-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208014256 1313824854 /nfs/dbraw/zinc/82/48/54/1313824854.db2.gz OGPBWBMBGNEFKQ-KBPBESRZSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208014256 1313824859 /nfs/dbraw/zinc/82/48/59/1313824859.db2.gz OGPBWBMBGNEFKQ-KBPBESRZSA-N 1 3 348.318 2.759 20 0 EFADHO C[NH+]1CCC(C)(CN2CCCn3cnc(COCC4CC4)c3C2)CC1 ZINC001208107448 1313848059 /nfs/dbraw/zinc/84/80/59/1313848059.db2.gz NVWXFVDFRAGOPW-UHFFFAOYSA-N 1 3 346.519 2.747 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208113523 1313850462 /nfs/dbraw/zinc/85/04/62/1313850462.db2.gz AUXXTWPFILJESG-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208113523 1313850465 /nfs/dbraw/zinc/85/04/65/1313850465.db2.gz AUXXTWPFILJESG-BHIYHBOVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(CC1(C)CC[NH+](C)CC1)[C@H]2C ZINC001208107963 1313848934 /nfs/dbraw/zinc/84/89/34/1313848934.db2.gz YJQSWJVXNGXBHT-KRWDZBQOSA-N 1 3 347.551 2.832 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC[C@@H](C)SC)C2 ZINC001208143151 1313856728 /nfs/dbraw/zinc/85/67/28/1313856728.db2.gz KDEHHOCCSYSFJN-NXHRZFHOSA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC[C@@H](C)SC)C2 ZINC001208143151 1313856733 /nfs/dbraw/zinc/85/67/33/1313856733.db2.gz KDEHHOCCSYSFJN-NXHRZFHOSA-N 1 3 326.550 2.808 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCCC2)C3)C1 ZINC000965034781 1302751403 /nfs/dbraw/zinc/75/14/03/1302751403.db2.gz LXZFDENVZQIYIO-UHFFFAOYSA-N 1 3 347.547 2.926 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CCCC1 ZINC001208187705 1313864863 /nfs/dbraw/zinc/86/48/63/1313864863.db2.gz NYCFYMUFLNGDDQ-HOTGVXAUSA-N 1 3 337.508 2.660 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)CCCC1 ZINC001208187705 1313864865 /nfs/dbraw/zinc/86/48/65/1313864865.db2.gz NYCFYMUFLNGDDQ-HOTGVXAUSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1nccnc1O[C@@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188758 1313865322 /nfs/dbraw/zinc/86/53/22/1313865322.db2.gz NIWRHOCCVUDFKV-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1nccnc1O[C@@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188758 1313865325 /nfs/dbraw/zinc/86/53/25/1313865325.db2.gz NIWRHOCCVUDFKV-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cc(OC2CC[NH+](CC3(CN(C)C)CCCC3)CC2)ncn1 ZINC001208188236 1313865468 /nfs/dbraw/zinc/86/54/68/1313865468.db2.gz IBPONFHIJZGCEV-UHFFFAOYSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cncnc1O[C@@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188566 1313865843 /nfs/dbraw/zinc/86/58/43/1313865843.db2.gz JTGLLVWWKUFTQA-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1cncnc1O[C@@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208188566 1313865846 /nfs/dbraw/zinc/86/58/46/1313865846.db2.gz JTGLLVWWKUFTQA-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]Cc2ccccc2)C3)C1 ZINC000965065702 1302788382 /nfs/dbraw/zinc/78/83/82/1302788382.db2.gz YPOWLUHLMVDUAJ-GICSWVMSSA-N 1 3 341.499 2.545 20 0 EFADHO CCC[NH+]1C[C@@H]2CN(C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224749 1313874506 /nfs/dbraw/zinc/87/45/06/1313874506.db2.gz IGDJSIVDVDOHEP-KBAYOESNSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[NH+](C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224749 1313874509 /nfs/dbraw/zinc/87/45/09/1313874509.db2.gz IGDJSIVDVDOHEP-KBAYOESNSA-N 1 3 330.472 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208279148 1313886968 /nfs/dbraw/zinc/88/69/68/1313886968.db2.gz IWMKFVQHBMBCPL-KGLIPLIRSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208279148 1313886972 /nfs/dbraw/zinc/88/69/72/1313886972.db2.gz IWMKFVQHBMBCPL-KGLIPLIRSA-N 1 3 348.318 2.760 20 0 EFADHO Cn1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)c(-c2cc(F)ccc2F)n1 ZINC000865412168 1303243300 /nfs/dbraw/zinc/24/33/00/1303243300.db2.gz LGYNYFAHIDFCDN-ZDUSSCGKSA-N 1 3 346.425 2.939 20 0 EFADHO Cc1c(Cl)cccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000865457146 1303266169 /nfs/dbraw/zinc/26/61/69/1303266169.db2.gz WQNDSJDQMBUCKV-UHFFFAOYSA-N 1 3 337.895 2.681 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1)C1CCC1 ZINC001208340182 1313904452 /nfs/dbraw/zinc/90/44/52/1313904452.db2.gz KDASPACOMLOYBX-CQSZACIVSA-N 1 3 349.441 2.784 20 0 EFADHO COc1nccc(CNCCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000865717603 1303376193 /nfs/dbraw/zinc/37/61/93/1303376193.db2.gz GCTCRKVQCIIXMH-UHFFFAOYSA-N 1 3 340.471 2.877 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097210283 1313910378 /nfs/dbraw/zinc/91/03/78/1313910378.db2.gz TYDXNPJYWGNZFD-MANSERQUSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210283 1313910381 /nfs/dbraw/zinc/91/03/81/1313910381.db2.gz TYDXNPJYWGNZFD-MANSERQUSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097210284 1313910569 /nfs/dbraw/zinc/91/05/69/1313910569.db2.gz TYDXNPJYWGNZFD-MKXGPGLRSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210284 1313910573 /nfs/dbraw/zinc/91/05/73/1313910573.db2.gz TYDXNPJYWGNZFD-MKXGPGLRSA-N 1 3 333.520 2.652 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208361186 1313910850 /nfs/dbraw/zinc/91/08/50/1313910850.db2.gz BNEUXUOGLWOYLJ-ZIAGYGMSSA-N 1 3 348.318 2.760 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208361186 1313910852 /nfs/dbraw/zinc/91/08/52/1313910852.db2.gz BNEUXUOGLWOYLJ-ZIAGYGMSSA-N 1 3 348.318 2.760 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCCCC1)C2 ZINC000965886045 1303407511 /nfs/dbraw/zinc/40/75/11/1303407511.db2.gz JZRJBKPVAMHYHT-UHFFFAOYSA-N 1 3 344.503 2.858 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001208373975 1313913765 /nfs/dbraw/zinc/91/37/65/1313913765.db2.gz TTWQBBCIIMNKTF-RIZQAGQYSA-N 1 3 343.515 2.867 20 0 EFADHO CCc1cccc(C)c1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217049 1313915138 /nfs/dbraw/zinc/91/51/38/1313915138.db2.gz QQVUDTAWCHYSDL-INIZCTEOSA-N 1 3 330.476 2.553 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CCC1CC1)C2 ZINC000965932923 1303466556 /nfs/dbraw/zinc/46/65/56/1303466556.db2.gz DYZZYSZYTFYAQP-HRHZULOWSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NC1CC2(C1)CC([NH2+]CC1CCC1)C2 ZINC000965933023 1303466658 /nfs/dbraw/zinc/46/66/58/1303466658.db2.gz IVJUTYXVHOBMSW-GRMYEKEESA-N 1 3 333.520 2.676 20 0 EFADHO CC[NH+](CC)CCn1cc(-c2ccc(OC)c(CN(C)C)c2)cn1 ZINC001239209072 1313913868 /nfs/dbraw/zinc/91/38/68/1313913868.db2.gz MOCTZLOBWCKITH-UHFFFAOYSA-N 1 3 330.476 2.962 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001208373974 1313913852 /nfs/dbraw/zinc/91/38/52/1313913852.db2.gz TTWQBBCIIMNKTF-NZONOLPTSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097218983 1313914720 /nfs/dbraw/zinc/91/47/20/1313914720.db2.gz OLKHJIFQCNLVCH-MKXGPGLRSA-N 1 3 333.520 2.937 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097218983 1313914723 /nfs/dbraw/zinc/91/47/23/1313914723.db2.gz OLKHJIFQCNLVCH-MKXGPGLRSA-N 1 3 333.520 2.937 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001239308266 1313923662 /nfs/dbraw/zinc/92/36/62/1313923662.db2.gz VVHRRNWKYJXLHF-OAHLLOKOSA-N 1 3 338.883 2.796 20 0 EFADHO CCCC[C@@H](CC)COC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239319668 1313925675 /nfs/dbraw/zinc/92/56/75/1313925675.db2.gz REPTWVLQQRPBEX-CVEARBPZSA-N 1 3 325.497 2.803 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CN(Cc3cccc(C)c3)CCO2)[C@@H](C)C1 ZINC000866555570 1303682363 /nfs/dbraw/zinc/68/23/63/1303682363.db2.gz SJNKJMYAFARFEJ-JBACZVJFSA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CN(Cc3cccc(C)c3)CCO2)[C@@H](C)C1 ZINC000866555570 1303682369 /nfs/dbraw/zinc/68/23/69/1303682369.db2.gz SJNKJMYAFARFEJ-JBACZVJFSA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)[C@@H](C)C1 ZINC000866555572 1303683025 /nfs/dbraw/zinc/68/30/25/1303683025.db2.gz SJNKJMYAFARFEJ-TYPHKJRUSA-N 1 3 345.531 2.516 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)[C@@H](C)C1 ZINC000866555572 1303683034 /nfs/dbraw/zinc/68/30/34/1303683034.db2.gz SJNKJMYAFARFEJ-TYPHKJRUSA-N 1 3 345.531 2.516 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001208447653 1313930954 /nfs/dbraw/zinc/93/09/54/1313930954.db2.gz PTRIAROVHUJVRJ-KRWDZBQOSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001208448026 1313931070 /nfs/dbraw/zinc/93/10/70/1313931070.db2.gz UAFHFQXJGBMMAV-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3c2cccc3F)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448126 1313931105 /nfs/dbraw/zinc/93/11/05/1313931105.db2.gz VUYTYCKKAOHTHN-ZMYBRWDISA-N 1 3 347.478 2.591 20 0 EFADHO COc1cccc([C@H](C)N2C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001208447928 1313931272 /nfs/dbraw/zinc/93/12/72/1313931272.db2.gz SIKMCRXRRXGBTC-JTDSTZFVSA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208453438 1313933023 /nfs/dbraw/zinc/93/30/23/1313933023.db2.gz HOYGDULYQXLQTD-GFCCVEGCSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001208453438 1313933028 /nfs/dbraw/zinc/93/30/28/1313933028.db2.gz HOYGDULYQXLQTD-GFCCVEGCSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001208454604 1313933138 /nfs/dbraw/zinc/93/31/38/1313933138.db2.gz YXENYCKBWCGDLM-QGZVFWFLSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001208454604 1313933141 /nfs/dbraw/zinc/93/31/41/1313933141.db2.gz YXENYCKBWCGDLM-QGZVFWFLSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(CCOc1ccc(/C=C/C(=O)OC)cc1)C1CC[NH2+]CC1 ZINC000866660940 1303735913 /nfs/dbraw/zinc/73/59/13/1303735913.db2.gz JDSJOHODBHCJGZ-RMKNXTFCSA-N 1 3 346.471 2.716 20 0 EFADHO CCC[N@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)C1CCNCC1 ZINC000866660940 1303735914 /nfs/dbraw/zinc/73/59/14/1303735914.db2.gz JDSJOHODBHCJGZ-RMKNXTFCSA-N 1 3 346.471 2.716 20 0 EFADHO CCC[N@@H+](CCOc1ccc(/C=C/C(=O)OC)cc1)C1CCNCC1 ZINC000866660940 1303735920 /nfs/dbraw/zinc/73/59/20/1303735920.db2.gz JDSJOHODBHCJGZ-RMKNXTFCSA-N 1 3 346.471 2.716 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1C)[NH+](C)C ZINC001208527898 1313953217 /nfs/dbraw/zinc/95/32/17/1313953217.db2.gz WQOFGHDUZXHJOD-ATZDWAIDSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001208530454 1313953967 /nfs/dbraw/zinc/95/39/67/1313953967.db2.gz WBYMCZHVBCKFMS-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C)N(C)C ZINC001208530454 1313953969 /nfs/dbraw/zinc/95/39/69/1313953969.db2.gz WBYMCZHVBCKFMS-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208530296 1313953979 /nfs/dbraw/zinc/95/39/79/1313953979.db2.gz OPICCVIYGWVTQO-MISYRCLQSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001208530296 1313953980 /nfs/dbraw/zinc/95/39/80/1313953980.db2.gz OPICCVIYGWVTQO-MISYRCLQSA-N 1 3 345.531 2.560 20 0 EFADHO CC1(C)[C@H](N)c2ccccc2N1C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000867988862 1304062444 /nfs/dbraw/zinc/06/24/44/1304062444.db2.gz WFWFAADMMQDELL-NQIIRXRSSA-N 1 3 335.451 2.743 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315556 1313965085 /nfs/dbraw/zinc/96/50/85/1313965085.db2.gz DYMMICMZGPGMCP-KURKYZTESA-N 1 3 331.504 2.550 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414662 1304190599 /nfs/dbraw/zinc/19/05/99/1304190599.db2.gz ZFMZJUNOMBQNIO-HDAAZOAOSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414662 1304190602 /nfs/dbraw/zinc/19/06/02/1304190602.db2.gz ZFMZJUNOMBQNIO-HDAAZOAOSA-N 1 3 341.499 2.668 20 0 EFADHO CC[NH+]1CCC(CN2CCCC23CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208592434 1313970143 /nfs/dbraw/zinc/97/01/43/1313970143.db2.gz HSUNYHRHZDSKEY-UHFFFAOYSA-N 1 3 337.508 2.804 20 0 EFADHO CC[NH+]1CCC(CN2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)CC1 ZINC001208598988 1313972918 /nfs/dbraw/zinc/97/29/18/1313972918.db2.gz GZTSTKTXTXUZIT-QGZVFWFLSA-N 1 3 347.551 2.832 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612887 1313979276 /nfs/dbraw/zinc/97/92/76/1313979276.db2.gz GOPBNJJLWCZSJF-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1 ZINC001208612887 1313979280 /nfs/dbraw/zinc/97/92/80/1313979280.db2.gz GOPBNJJLWCZSJF-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO Cc1cnc(CN2CCC[C@]3(CC[N@@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306388 1313980995 /nfs/dbraw/zinc/98/09/95/1313980995.db2.gz FGXMAPVXKFFIGH-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO Cc1cnc(CN2CCC[C@]3(CC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306388 1313980997 /nfs/dbraw/zinc/98/09/97/1313980997.db2.gz FGXMAPVXKFFIGH-HXUWFJFHSA-N 1 3 330.520 2.548 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001018637063 1313984186 /nfs/dbraw/zinc/98/41/86/1313984186.db2.gz WYHIHBWWTAGQFE-RDJZCZTQSA-N 1 3 343.496 2.686 20 0 EFADHO CC(=O)N1CCC(C[N@@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001208678619 1313993052 /nfs/dbraw/zinc/99/30/52/1313993052.db2.gz BXRLNDRJMSAOKT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC(=O)N1CCC(C[N@H+](C)C2CCN(C3CCCCC3)CC2)CC1 ZINC001208678619 1313993056 /nfs/dbraw/zinc/99/30/56/1313993056.db2.gz BXRLNDRJMSAOKT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211367619 1314486520 /nfs/dbraw/zinc/48/65/20/1314486520.db2.gz XTYUNDYTGBUHLR-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCC1 ZINC001211367619 1314486526 /nfs/dbraw/zinc/48/65/26/1314486526.db2.gz XTYUNDYTGBUHLR-BHIYHBOVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114443147 1304696371 /nfs/dbraw/zinc/69/63/71/1304696371.db2.gz WSPVRKVNUKSYKL-NMLBUPMWSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21)N(C)C ZINC001114443147 1304696375 /nfs/dbraw/zinc/69/63/75/1304696375.db2.gz WSPVRKVNUKSYKL-NMLBUPMWSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21)N(C)C ZINC001114443256 1304698450 /nfs/dbraw/zinc/69/84/50/1304698450.db2.gz YNSFBPZWXPZMQN-MANSERQUSA-N 1 3 347.547 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21)N(C)C ZINC001114443256 1304698456 /nfs/dbraw/zinc/69/84/56/1304698456.db2.gz YNSFBPZWXPZMQN-MANSERQUSA-N 1 3 347.547 2.589 20 0 EFADHO COc1cccc(F)c1CN1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276585453 1314007875 /nfs/dbraw/zinc/00/78/75/1314007875.db2.gz FXFTUBIAXGUMKH-HXUWFJFHSA-N 1 3 349.494 2.684 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CCC1CC1 ZINC001037930763 1304862776 /nfs/dbraw/zinc/86/27/76/1304862776.db2.gz YYENOJCVPIMVFD-QZTJIDSGSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(C)c1 ZINC001037935128 1304972246 /nfs/dbraw/zinc/97/22/46/1304972246.db2.gz PCLPEYTVOQZUIG-MJGOQNOKSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1c2ccccc2[nH]c1CN1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276593610 1314028062 /nfs/dbraw/zinc/02/80/62/1314028062.db2.gz LGHHGGKZALRQQE-UHFFFAOYSA-N 1 3 326.488 2.546 20 0 EFADHO CN1CCN(Cc2ccc(-c3ccc(-n4cc[nH+]c4N)cc3)cc2)CC1 ZINC001240414992 1314031424 /nfs/dbraw/zinc/03/14/24/1314031424.db2.gz IEOWJBSEXGYUAR-UHFFFAOYSA-N 1 3 347.466 2.869 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870189989 1305197351 /nfs/dbraw/zinc/19/73/51/1305197351.db2.gz SEYZJZWYMCHKRL-QZTJIDSGSA-N 1 3 343.515 2.639 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000870190836 1305198392 /nfs/dbraw/zinc/19/83/92/1305198392.db2.gz HHLXMPYECUQBDW-LJQANCHMSA-N 1 3 343.515 2.641 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037949989 1305220546 /nfs/dbraw/zinc/22/05/46/1305220546.db2.gz NNVCVEDWLXOIRF-OALUTQOASA-N 1 3 335.536 2.735 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H]2[C@@H]1CC[N@H+]2CCN(C)C ZINC001276598267 1314043641 /nfs/dbraw/zinc/04/36/41/1314043641.db2.gz WDUVROVSSAMNIC-PMACEKPBSA-N 1 3 344.478 2.826 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN(C)C ZINC001276598267 1314043643 /nfs/dbraw/zinc/04/36/43/1314043643.db2.gz WDUVROVSSAMNIC-PMACEKPBSA-N 1 3 344.478 2.826 20 0 EFADHO Cc1ccc2[nH]c(CN3CC[C@H]4C[N@@H+](CCN(C)C)C[C@H]43)cc2c1 ZINC001276598344 1314044999 /nfs/dbraw/zinc/04/49/99/1314044999.db2.gz YNTYGUQIMVSNIK-OXJNMPFZSA-N 1 3 326.488 2.544 20 0 EFADHO Cc1ccc2[nH]c(CN3CC[C@H]4C[N@H+](CCN(C)C)C[C@H]43)cc2c1 ZINC001276598344 1314045001 /nfs/dbraw/zinc/04/50/01/1314045001.db2.gz YNTYGUQIMVSNIK-OXJNMPFZSA-N 1 3 326.488 2.544 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001097430235 1314046633 /nfs/dbraw/zinc/04/66/33/1314046633.db2.gz GLHRLNSVAPPCHU-QRVBRYPASA-N 1 3 343.515 2.837 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)C12CCCN1CCC2 ZINC001097430636 1314046889 /nfs/dbraw/zinc/04/68/89/1314046889.db2.gz MLUUVBHEZSZMTH-QRVBRYPASA-N 1 3 345.531 2.917 20 0 EFADHO O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)C12CCCN1CCC2 ZINC001097430636 1314046894 /nfs/dbraw/zinc/04/68/94/1314046894.db2.gz MLUUVBHEZSZMTH-QRVBRYPASA-N 1 3 345.531 2.917 20 0 EFADHO Cc1nc(CC[N@@H+](C)C[C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC001208931457 1314049682 /nfs/dbraw/zinc/04/96/82/1314049682.db2.gz KHZPXSVHHKCWJH-SFHVURJKSA-N 1 3 328.460 2.765 20 0 EFADHO Cc1nc(CC[N@H+](C)C[C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC001208931457 1314049684 /nfs/dbraw/zinc/04/96/84/1314049684.db2.gz KHZPXSVHHKCWJH-SFHVURJKSA-N 1 3 328.460 2.765 20 0 EFADHO c1ccc(C[N@H+]2CCC[C@H](CN3CCN(CC4CC4)CC3)C2)cc1 ZINC001208938428 1314052304 /nfs/dbraw/zinc/05/23/04/1314052304.db2.gz ZCFRWFZPSBLYQB-OAQYLSRUSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(C[N@@H+]2CCC[C@H](CN3CCN(CC4CC4)CC3)C2)cc1 ZINC001208938428 1314052308 /nfs/dbraw/zinc/05/23/08/1314052308.db2.gz ZCFRWFZPSBLYQB-OAQYLSRUSA-N 1 3 327.516 2.926 20 0 EFADHO CCCc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](CC)N(C)C)cc1 ZINC001114463013 1305412242 /nfs/dbraw/zinc/41/22/42/1305412242.db2.gz COXVELZGTSMFBS-WCIQWLHISA-N 1 3 343.515 2.526 20 0 EFADHO CCCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](CC)N(C)C)cc1 ZINC001114463013 1305412254 /nfs/dbraw/zinc/41/22/54/1305412254.db2.gz COXVELZGTSMFBS-WCIQWLHISA-N 1 3 343.515 2.526 20 0 EFADHO OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940572 1314052452 /nfs/dbraw/zinc/05/24/52/1314052452.db2.gz DTQNWXBSCKMGFZ-SJORKVTESA-N 1 3 342.405 2.755 20 0 EFADHO OC[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208940572 1314052454 /nfs/dbraw/zinc/05/24/54/1314052454.db2.gz DTQNWXBSCKMGFZ-SJORKVTESA-N 1 3 342.405 2.755 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@H]21)N(C)C ZINC001114463878 1305414960 /nfs/dbraw/zinc/41/49/60/1305414960.db2.gz MUYWRQITYUGTEY-WCIQWLHISA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@H]21)N(C)C ZINC001114463878 1305414967 /nfs/dbraw/zinc/41/49/67/1305414967.db2.gz MUYWRQITYUGTEY-WCIQWLHISA-N 1 3 343.515 2.697 20 0 EFADHO OC[C@H]1C[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC001208942176 1314053312 /nfs/dbraw/zinc/05/33/12/1314053312.db2.gz OPLPGEXEGQJIKC-BBWFWOEESA-N 1 3 342.405 2.611 20 0 EFADHO OC[C@H]1C[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC001208942176 1314053316 /nfs/dbraw/zinc/05/33/16/1314053316.db2.gz OPLPGEXEGQJIKC-BBWFWOEESA-N 1 3 342.405 2.611 20 0 EFADHO OC[C@H]1C[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC001208942180 1314053429 /nfs/dbraw/zinc/05/34/29/1314053429.db2.gz OPLPGEXEGQJIKC-ZACQAIPSSA-N 1 3 342.405 2.611 20 0 EFADHO OC[C@H]1C[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C[C@@H]1C(F)(F)F ZINC001208942180 1314053432 /nfs/dbraw/zinc/05/34/32/1314053432.db2.gz OPLPGEXEGQJIKC-ZACQAIPSSA-N 1 3 342.405 2.611 20 0 EFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001208943487 1314053805 /nfs/dbraw/zinc/05/38/05/1314053805.db2.gz HVRNGHNUADSDEQ-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C[C@]2(CC1=O)CCCCN2C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208943487 1314053807 /nfs/dbraw/zinc/05/38/07/1314053807.db2.gz HVRNGHNUADSDEQ-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO COC(=O)[C@@H]1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946884 1314055243 /nfs/dbraw/zinc/05/52/43/1314055243.db2.gz JJKSQUCQPMUMDF-OALUTQOASA-N 1 3 342.483 2.784 20 0 EFADHO COC(=O)[C@@H]1CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946884 1314055247 /nfs/dbraw/zinc/05/52/47/1314055247.db2.gz JJKSQUCQPMUMDF-OALUTQOASA-N 1 3 342.483 2.784 20 0 EFADHO COCCCCN1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208962109 1314059042 /nfs/dbraw/zinc/05/90/42/1314059042.db2.gz HOPHLZDPSXRRAO-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO COCCCCN1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208962109 1314059044 /nfs/dbraw/zinc/05/90/44/1314059044.db2.gz HOPHLZDPSXRRAO-NRFANRHFSA-N 1 3 345.531 2.553 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037981091 1305574444 /nfs/dbraw/zinc/57/44/44/1305574444.db2.gz BVTIWADQOHVZEP-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC ZINC001037981741 1305581186 /nfs/dbraw/zinc/58/11/86/1305581186.db2.gz GXEYJLAOLAZKEM-MJGOQNOKSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]C(C)C ZINC001037982375 1305585559 /nfs/dbraw/zinc/58/55/59/1305585559.db2.gz KDBBMFLQGODLHF-IEBWSBKVSA-N 1 3 331.504 2.987 20 0 EFADHO CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H]1CC ZINC001037983122 1305589518 /nfs/dbraw/zinc/58/95/18/1305589518.db2.gz LRVUKZWYBPKFGG-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(OC)c1 ZINC000870859949 1305634454 /nfs/dbraw/zinc/63/44/54/1305634454.db2.gz BHRQRBBNHMLDTB-HHXXYDBFSA-N 1 3 347.503 2.712 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)c(C)c2)CC1 ZINC000870859460 1305634922 /nfs/dbraw/zinc/63/49/22/1305634922.db2.gz NBMNGMMRJXMNRI-QAQDUYKDSA-N 1 3 344.503 2.593 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC[NH2+]CC2CC2)N2CCCC2)cc1 ZINC000870875702 1305646415 /nfs/dbraw/zinc/64/64/15/1305646415.db2.gz HYJSAQMQDYNINI-IBGZPJMESA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000870876090 1305647765 /nfs/dbraw/zinc/64/77/65/1305647765.db2.gz XNWXLMZVIDFUDF-QAQDUYKDSA-N 1 3 347.528 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141484 1305954783 /nfs/dbraw/zinc/95/47/83/1305954783.db2.gz FNETVSBAHRQUER-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001017141484 1305954796 /nfs/dbraw/zinc/95/47/96/1305954796.db2.gz FNETVSBAHRQUER-UYAOXDASSA-N 1 3 347.547 2.997 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143059 1305986891 /nfs/dbraw/zinc/98/68/91/1305986891.db2.gz ROQNRIRUFQRQEZ-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143059 1305986898 /nfs/dbraw/zinc/98/68/98/1305986898.db2.gz ROQNRIRUFQRQEZ-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCNC(C)(C)C1 ZINC001246891155 1314703652 /nfs/dbraw/zinc/70/36/52/1314703652.db2.gz NKLYOHSHPZMCOE-CVEARBPZSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCNC(C)(C)C1 ZINC001246891155 1314703657 /nfs/dbraw/zinc/70/36/57/1314703657.db2.gz NKLYOHSHPZMCOE-CVEARBPZSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246891155 1314703662 /nfs/dbraw/zinc/70/36/62/1314703662.db2.gz NKLYOHSHPZMCOE-CVEARBPZSA-N 1 3 328.497 2.587 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000968326597 1306135002 /nfs/dbraw/zinc/13/50/02/1306135002.db2.gz GWTXPLAPWDMYTC-VQIMIIECSA-N 1 3 349.494 2.591 20 0 EFADHO Cc1ncccc1CN1CCC[C@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276622574 1314108516 /nfs/dbraw/zinc/10/85/16/1314108516.db2.gz HHHSXXHQTTUKJB-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO Cc1ncccc1CN1CCC[C@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276622574 1314108517 /nfs/dbraw/zinc/10/85/17/1314108517.db2.gz HHHSXXHQTTUKJB-FQEVSTJZSA-N 1 3 330.520 2.630 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001018963290 1314112597 /nfs/dbraw/zinc/11/25/97/1314112597.db2.gz IKTWZVMZHZYBAZ-IBGZPJMESA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018966390 1314113753 /nfs/dbraw/zinc/11/37/53/1314113753.db2.gz HGQJAVAILPNDJQ-ZWKOTPCHSA-N 1 3 349.906 2.679 20 0 EFADHO C[C@@H]1CCN(CCCF)C[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000968417255 1306287217 /nfs/dbraw/zinc/28/72/17/1306287217.db2.gz DXYMDVLOIJAMBK-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO CN(CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1)C1CCC1 ZINC001018971431 1314116772 /nfs/dbraw/zinc/11/67/72/1314116772.db2.gz ABPRUYYKHVKVIN-INIZCTEOSA-N 1 3 341.455 2.608 20 0 EFADHO CC1CC[NH+](CC(=O)N[C@@H]2CN(Cc3ccsc3)CC[C@@H]2C)CC1 ZINC000968459538 1306349178 /nfs/dbraw/zinc/34/91/78/1306349178.db2.gz MHBFPJCKSBPRIA-FUHWJXTLSA-N 1 3 349.544 2.807 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017152015 1306353737 /nfs/dbraw/zinc/35/37/37/1306353737.db2.gz JYHNHZDGJFBUMJ-GDBMZVCRSA-N 1 3 345.478 2.542 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001017152015 1306353746 /nfs/dbraw/zinc/35/37/46/1306353746.db2.gz JYHNHZDGJFBUMJ-GDBMZVCRSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493494 1306396431 /nfs/dbraw/zinc/39/64/31/1306396431.db2.gz SGFJKKSAOAYRAV-HKUYNNGSSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517911 1306424343 /nfs/dbraw/zinc/42/43/43/1306424343.db2.gz VEKBULJBMCPVHI-PXNSSMCTSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001209251937 1314126532 /nfs/dbraw/zinc/12/65/32/1314126532.db2.gz UIUYXTKIDLJAGH-IHRRRGAJSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001209251937 1314126535 /nfs/dbraw/zinc/12/65/35/1314126535.db2.gz UIUYXTKIDLJAGH-IHRRRGAJSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001018999536 1314126653 /nfs/dbraw/zinc/12/66/53/1314126653.db2.gz WRUPRUIQJCUZIL-KYNGSXCRSA-N 1 3 347.478 2.590 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001019000777 1314127306 /nfs/dbraw/zinc/12/73/06/1314127306.db2.gz OWQCAUNGLWDEHA-PMACEKPBSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1)N(C)C ZINC001019000740 1314127546 /nfs/dbraw/zinc/12/75/46/1314127546.db2.gz MTTIKXBZYBRWHR-PMPSAXMXSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001019002006 1314128492 /nfs/dbraw/zinc/12/84/92/1314128492.db2.gz DMGXFNOXKKRTTE-HOTGVXAUSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921597 1306482616 /nfs/dbraw/zinc/48/26/16/1306482616.db2.gz PWLBIPZUAATQOX-HCXYKTFWSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN1C(C)C ZINC001114921597 1306482618 /nfs/dbraw/zinc/48/26/18/1306482618.db2.gz PWLBIPZUAATQOX-HCXYKTFWSA-N 1 3 335.536 2.732 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2C(NC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922236 1306487924 /nfs/dbraw/zinc/48/79/24/1306487924.db2.gz VKAUHRRXMKHIDE-OSSUKDPZSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2C(NC(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001114922236 1306487928 /nfs/dbraw/zinc/48/79/28/1306487928.db2.gz VKAUHRRXMKHIDE-OSSUKDPZSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680480 1306563207 /nfs/dbraw/zinc/56/32/07/1306563207.db2.gz AAHBOJSBQPVSSR-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC000968680480 1306563210 /nfs/dbraw/zinc/56/32/10/1306563210.db2.gz AAHBOJSBQPVSSR-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682805 1306565022 /nfs/dbraw/zinc/56/50/22/1306565022.db2.gz UZPQMFDHJOWLLY-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682805 1306565028 /nfs/dbraw/zinc/56/50/28/1306565028.db2.gz UZPQMFDHJOWLLY-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO COc1ccc(C)cc1CN1CCC[C@@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276631071 1314134962 /nfs/dbraw/zinc/13/49/62/1314134962.db2.gz HSWACBDXARBVDX-NRFANRHFSA-N 1 3 345.531 2.853 20 0 EFADHO COc1ccc(C)cc1CN1CCC[C@@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276631071 1314134964 /nfs/dbraw/zinc/13/49/64/1314134964.db2.gz HSWACBDXARBVDX-NRFANRHFSA-N 1 3 345.531 2.853 20 0 EFADHO Cc1ncc(Br)cc1CN(C)CC1CC[NH+](C)CC1 ZINC001248780464 1314965842 /nfs/dbraw/zinc/96/58/42/1314965842.db2.gz WJYXWQAYAZDVEU-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC000968737867 1306610805 /nfs/dbraw/zinc/61/08/05/1306610805.db2.gz HXFOAWWQLNYEEC-ZIFCJYIRSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC000968737867 1306610809 /nfs/dbraw/zinc/61/08/09/1306610809.db2.gz HXFOAWWQLNYEEC-ZIFCJYIRSA-N 1 3 347.478 2.555 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001209324714 1314139794 /nfs/dbraw/zinc/13/97/94/1314139794.db2.gz UDVMWLJMXATQSQ-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627762 1306670846 /nfs/dbraw/zinc/67/08/46/1306670846.db2.gz CFBOLMRYRDEIPU-RDJZCZTQSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627764 1306671557 /nfs/dbraw/zinc/67/15/57/1306671557.db2.gz CFBOLMRYRDEIPU-WBVHZDCISA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044629274 1306673852 /nfs/dbraw/zinc/67/38/52/1306673852.db2.gz LCCWQVLCIVALKN-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC001019032345 1314142847 /nfs/dbraw/zinc/14/28/47/1314142847.db2.gz QZFXICTTYYLAQQ-RYQLBKOJSA-N 1 3 349.906 2.858 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC001019032170 1314142915 /nfs/dbraw/zinc/14/29/15/1314142915.db2.gz JXNDPHHVBBAIDL-JKSUJKDBSA-N 1 3 339.430 2.655 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001019032109 1314143093 /nfs/dbraw/zinc/14/30/93/1314143093.db2.gz GJBPFUSWDXHLJD-RBUKOAKNSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968882121 1306754671 /nfs/dbraw/zinc/75/46/71/1306754671.db2.gz HJOREFAMTJGCKL-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968882121 1306754678 /nfs/dbraw/zinc/75/46/78/1306754678.db2.gz HJOREFAMTJGCKL-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744338 1306767327 /nfs/dbraw/zinc/76/73/27/1306767327.db2.gz OGYQNKMRNVGETP-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750115 1306771693 /nfs/dbraw/zinc/77/16/93/1306771693.db2.gz MSSGIUTZPULUKX-CZUORRHYSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044751786 1306772665 /nfs/dbraw/zinc/77/26/65/1306772665.db2.gz VILARLZLEZEXHA-CZUORRHYSA-N 1 3 346.862 2.775 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753189 1306773785 /nfs/dbraw/zinc/77/37/85/1306773785.db2.gz AMYXZLOUICAPIQ-DOTOQJQBSA-N 1 3 330.476 2.812 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1 ZINC001044754247 1306774717 /nfs/dbraw/zinc/77/47/17/1306774717.db2.gz HBSIQUFHNHGDIP-CRAIPNDOSA-N 1 3 340.471 2.684 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000968904351 1306777243 /nfs/dbraw/zinc/77/72/43/1306777243.db2.gz QCKQXYVEILAJEP-RHSMWYFYSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3cc4ccccc4o3)C2)CCC1 ZINC000968904129 1306777570 /nfs/dbraw/zinc/77/75/70/1306777570.db2.gz KIOADDJPDFZLIR-MRXNPFEDSA-N 1 3 341.455 2.608 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)CCC1 ZINC000968904518 1306778736 /nfs/dbraw/zinc/77/87/36/1306778736.db2.gz SPRVPOAWHXRZBO-MJGOQNOKSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916168 1306791039 /nfs/dbraw/zinc/79/10/39/1306791039.db2.gz XVULFBBSVYNOGT-SJORKVTESA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916168 1306791045 /nfs/dbraw/zinc/79/10/45/1306791045.db2.gz XVULFBBSVYNOGT-SJORKVTESA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968921672 1306798770 /nfs/dbraw/zinc/79/87/70/1306798770.db2.gz FKKAEJBTDUICBL-GOSISDBHSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC000968922172 1306799096 /nfs/dbraw/zinc/79/90/96/1306799096.db2.gz UAMVHVRZMSKDTD-MJGOQNOKSA-N 1 3 329.488 2.813 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)C[C@H]2C)CC1 ZINC001044791148 1306803283 /nfs/dbraw/zinc/80/32/83/1306803283.db2.gz FRUOZWBBRZVQBR-UYAOXDASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968928997 1306807612 /nfs/dbraw/zinc/80/76/12/1306807612.db2.gz ZIRRXJYIEPPDFS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000968928997 1306807615 /nfs/dbraw/zinc/80/76/15/1306807615.db2.gz ZIRRXJYIEPPDFS-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968928382 1306807927 /nfs/dbraw/zinc/80/79/27/1306807927.db2.gz JRBVANWDQFXDHS-ROUUACIJSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968928382 1306807932 /nfs/dbraw/zinc/80/79/32/1306807932.db2.gz JRBVANWDQFXDHS-ROUUACIJSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)(C)OC(=O)NCCCCCN1CCC([NH+]2CCC2)CC1 ZINC001209379565 1314150441 /nfs/dbraw/zinc/15/04/41/1314150441.db2.gz SAKPGNFTBMUTNQ-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044857278 1306867483 /nfs/dbraw/zinc/86/74/83/1306867483.db2.gz HNTDCPYXMKAXAZ-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1 ZINC001044857236 1306867526 /nfs/dbraw/zinc/86/75/26/1306867526.db2.gz GQCQLLWCSQLRLE-UYAOXDASSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCCC1 ZINC001044857496 1306868790 /nfs/dbraw/zinc/86/87/90/1306868790.db2.gz KEOJVWJSTGXLOZ-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044857850 1306868824 /nfs/dbraw/zinc/86/88/24/1306868824.db2.gz OLRRFIMCIFGYMP-AEFFLSMTSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968996506 1306873101 /nfs/dbraw/zinc/87/31/01/1306873101.db2.gz IQGUEMPOIPSXOR-MOPGFXCFSA-N 1 3 331.504 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1)[NH+](C)C ZINC000968997123 1306873550 /nfs/dbraw/zinc/87/35/50/1306873550.db2.gz YPVITMPZMKKSPR-APWZRJJASA-N 1 3 343.471 2.710 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)CC1 ZINC000969014408 1306889058 /nfs/dbraw/zinc/88/90/58/1306889058.db2.gz ZZSGYXOREGOQPD-GOSISDBHSA-N 1 3 349.544 2.951 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1 ZINC001219982896 1315361968 /nfs/dbraw/zinc/36/19/68/1315361968.db2.gz VPYDISZAPHKBKV-RUXDESIVSA-N 1 3 337.430 2.719 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1)N(C)C ZINC000969074434 1306948316 /nfs/dbraw/zinc/94/83/16/1306948316.db2.gz DEBISEVIBDLUAL-IEBWSBKVSA-N 1 3 346.519 2.544 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC000969074897 1306949335 /nfs/dbraw/zinc/94/93/35/1306949335.db2.gz ZCBVXJJRYMGPBE-IAGOWNOFSA-N 1 3 337.895 2.679 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC000969077611 1306950757 /nfs/dbraw/zinc/95/07/57/1306950757.db2.gz YLLXPNOJHNWUMZ-ZHALLVOQSA-N 1 3 331.504 2.895 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC000969077397 1306950865 /nfs/dbraw/zinc/95/08/65/1306950865.db2.gz QDIGSVKPEJICGD-NZSAHSFTSA-N 1 3 329.488 2.595 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001044960210 1306956007 /nfs/dbraw/zinc/95/60/07/1306956007.db2.gz ZEFLPPSYYNKEOM-AZUAARDMSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(Cl)c1 ZINC001044960045 1306956226 /nfs/dbraw/zinc/95/62/26/1306956226.db2.gz TUNAASQYOCHWJP-WMZOPIPTSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001044959659 1306956299 /nfs/dbraw/zinc/95/62/99/1306956299.db2.gz LGUYVAWXRSNWHY-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(Cl)c1 ZINC001044960044 1306956532 /nfs/dbraw/zinc/95/65/32/1306956532.db2.gz TUNAASQYOCHWJP-FUHWJXTLSA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)Oc1ccccc1CN[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209417913 1314160012 /nfs/dbraw/zinc/16/00/12/1314160012.db2.gz AOJRXQJCOABSAE-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019076331 1314160525 /nfs/dbraw/zinc/16/05/25/1314160525.db2.gz VNHMTYUHFRTBSS-IRXDYDNUSA-N 1 3 335.517 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2ccsc2)C1 ZINC001019076331 1314160528 /nfs/dbraw/zinc/16/05/28/1314160528.db2.gz VNHMTYUHFRTBSS-IRXDYDNUSA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001045067355 1307030098 /nfs/dbraw/zinc/03/00/98/1307030098.db2.gz LEYRYBYFWBISRM-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCC[C@H]1CNCc1ccccc1Cl)C1CC1 ZINC001045067003 1307030789 /nfs/dbraw/zinc/03/07/89/1307030789.db2.gz CEJDNQBMYYPYQC-WMZOPIPTSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1cccc(F)c1 ZINC001045067244 1307030842 /nfs/dbraw/zinc/03/08/42/1307030842.db2.gz NVSXEDFESQNDQD-YJBOKZPZSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001045067706 1307031611 /nfs/dbraw/zinc/03/16/11/1307031611.db2.gz QJTNCEFDSDUVOU-ROUUACIJSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c(C)s1 ZINC001045068859 1307033022 /nfs/dbraw/zinc/03/30/22/1307033022.db2.gz RUMVUYBEKLICSW-ZWKOTPCHSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001045069390 1307033032 /nfs/dbraw/zinc/03/30/32/1307033032.db2.gz YFPBHEYNCJEGPW-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001045070692 1307033455 /nfs/dbraw/zinc/03/34/55/1307033455.db2.gz RIZYVZGWXCMODQ-IBGZPJMESA-N 1 3 329.488 2.560 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001045070581 1307033868 /nfs/dbraw/zinc/03/38/68/1307033868.db2.gz LVQBBTQVSNUHJQ-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045075822 1307035734 /nfs/dbraw/zinc/03/57/34/1307035734.db2.gz GWOPAODEMDHGPK-MSOLQXFVSA-N 1 3 347.478 2.781 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045075822 1307035739 /nfs/dbraw/zinc/03/57/39/1307035739.db2.gz GWOPAODEMDHGPK-MSOLQXFVSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001045078190 1307036810 /nfs/dbraw/zinc/03/68/10/1307036810.db2.gz DQFHCIRMNJOVIS-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001045078370 1307036934 /nfs/dbraw/zinc/03/69/34/1307036934.db2.gz GRUJZOKYNSDNCA-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001045090328 1307045652 /nfs/dbraw/zinc/04/56/52/1307045652.db2.gz ZPDQWZOXEPWPNI-DLBZAZTESA-N 1 3 337.895 2.761 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC001045092771 1307047839 /nfs/dbraw/zinc/04/78/39/1307047839.db2.gz DVWVROLYKIOTAA-FUHWJXTLSA-N 1 3 349.906 2.905 20 0 EFADHO O=C(N1CCC[C@H]1CNCc1ccccc1F)C12CCC[NH+]1CCC2 ZINC001045105713 1307057315 /nfs/dbraw/zinc/05/73/15/1307057315.db2.gz HEHUNJTUJJKXOI-KRWDZBQOSA-N 1 3 345.462 2.535 20 0 EFADHO CN(C)Cc1nc(CSCC[NH2+][C@@H]2CCCN(C)CC2)cs1 ZINC001254505052 1315710957 /nfs/dbraw/zinc/71/09/57/1315710957.db2.gz YKUPOGYWGXUOIO-CQSZACIVSA-N 1 3 342.578 2.512 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCC[C@H]2CNCc2ccccc2Cl)CC1 ZINC001045182643 1307117566 /nfs/dbraw/zinc/11/75/66/1307117566.db2.gz VOWYTOHAHIWISA-KRWDZBQOSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001045199561 1307134133 /nfs/dbraw/zinc/13/41/33/1307134133.db2.gz DKBLOLIWSZVKKC-KXBFYZLASA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001045200407 1307134756 /nfs/dbraw/zinc/13/47/56/1307134756.db2.gz XHBNBOLLBOMOBR-QAPCUYQASA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001045199869 1307135014 /nfs/dbraw/zinc/13/50/14/1307135014.db2.gz LOYUAIAZQAIIJL-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001045200367 1307135089 /nfs/dbraw/zinc/13/50/89/1307135089.db2.gz WBLUZUOXPDNBDV-BEFAXECRSA-N 1 3 347.478 2.557 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001045201820 1307135866 /nfs/dbraw/zinc/13/58/66/1307135866.db2.gz HOEGCQHROBAGFM-SFHVURJKSA-N 1 3 347.547 2.879 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC001045202737 1307135976 /nfs/dbraw/zinc/13/59/76/1307135976.db2.gz VDASUGFPYZVYHW-INIZCTEOSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001045200785 1307136094 /nfs/dbraw/zinc/13/60/94/1307136094.db2.gz PHZRPRFSHLKWHK-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001045205103 1307136884 /nfs/dbraw/zinc/13/68/84/1307136884.db2.gz DAGYYQAEFCGHFK-OALUTQOASA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001045205767 1307137396 /nfs/dbraw/zinc/13/73/96/1307137396.db2.gz XFHCOPHCZNMYJV-WMZOPIPTSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001045205702 1307137670 /nfs/dbraw/zinc/13/76/70/1307137670.db2.gz SRNSWUUQVGGWBK-OALUTQOASA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001045218292 1307148321 /nfs/dbraw/zinc/14/83/21/1307148321.db2.gz MWLBYFXMQAYPGI-IBGZPJMESA-N 1 3 340.471 2.856 20 0 EFADHO C[C@@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001045276417 1307197023 /nfs/dbraw/zinc/19/70/23/1307197023.db2.gz HEAIEMKBJGSIPU-CVEARBPZSA-N 1 3 345.462 2.563 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001045311444 1307229842 /nfs/dbraw/zinc/22/98/42/1307229842.db2.gz LRNIEYYDJJKIGT-HOTGVXAUSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001045311444 1307229843 /nfs/dbraw/zinc/22/98/43/1307229843.db2.gz LRNIEYYDJJKIGT-HOTGVXAUSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1ccc(F)cc1 ZINC001045310935 1307230050 /nfs/dbraw/zinc/23/00/50/1307230050.db2.gz XJDZMNBLVZTQES-QAPCUYQASA-N 1 3 333.451 2.563 20 0 EFADHO CN(C)C(=O)CN1CCC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001276646781 1314173789 /nfs/dbraw/zinc/17/37/89/1314173789.db2.gz KGCMNAVJFOCTIB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001045311905 1307231249 /nfs/dbraw/zinc/23/12/49/1307231249.db2.gz UIOVIMAGYVVTHA-FQEVSTJZSA-N 1 3 341.499 2.740 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001045321523 1307239778 /nfs/dbraw/zinc/23/97/78/1307239778.db2.gz UVLAQTWGRLMDNR-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C ZINC001045322591 1307241028 /nfs/dbraw/zinc/24/10/28/1307241028.db2.gz QYSGNEBJMIVSTF-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001045322011 1307241218 /nfs/dbraw/zinc/24/12/18/1307241218.db2.gz FKFIOBCSAQESJO-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323808 1307366849 /nfs/dbraw/zinc/36/68/49/1307366849.db2.gz CSRQVPSKMNEYEO-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323808 1307366853 /nfs/dbraw/zinc/36/68/53/1307366853.db2.gz CSRQVPSKMNEYEO-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007324773 1307367204 /nfs/dbraw/zinc/36/72/04/1307367204.db2.gz FKHMMMAXPMDDTH-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007324773 1307367207 /nfs/dbraw/zinc/36/72/07/1307367207.db2.gz FKHMMMAXPMDDTH-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007330078 1307371506 /nfs/dbraw/zinc/37/15/06/1307371506.db2.gz XBDPLSQLAYLRML-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007330078 1307371510 /nfs/dbraw/zinc/37/15/10/1307371510.db2.gz XBDPLSQLAYLRML-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC1(NC(=O)c2ccn3cncc3c2)CC[NH+](C/C=C/Cl)CC1 ZINC001045495392 1307380014 /nfs/dbraw/zinc/38/00/14/1307380014.db2.gz GBQQSVAHUQBQSV-QHHAFSJGSA-N 1 3 332.835 2.671 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3cccs3)C2)CC[N@@H+]1C ZINC001007368515 1307391065 /nfs/dbraw/zinc/39/10/65/1307391065.db2.gz IDSXOQAWJWXWHS-RYQLBKOJSA-N 1 3 349.544 2.602 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3cccs3)C2)CC[N@H+]1C ZINC001007368515 1307391071 /nfs/dbraw/zinc/39/10/71/1307391071.db2.gz IDSXOQAWJWXWHS-RYQLBKOJSA-N 1 3 349.544 2.602 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007376985 1307397574 /nfs/dbraw/zinc/39/75/74/1307397574.db2.gz QBRDVTBUGZBAPO-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007376985 1307397580 /nfs/dbraw/zinc/39/75/80/1307397580.db2.gz QBRDVTBUGZBAPO-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC001045543780 1307417179 /nfs/dbraw/zinc/41/71/79/1307417179.db2.gz OHKFJJGTYRSYRD-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640406 1307494014 /nfs/dbraw/zinc/49/40/14/1307494014.db2.gz POICLEMHOSGBGY-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640406 1307494015 /nfs/dbraw/zinc/49/40/15/1307494015.db2.gz POICLEMHOSGBGY-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)C[NH+]1CCC(C)(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001045647108 1307499401 /nfs/dbraw/zinc/49/94/01/1307499401.db2.gz SFCBIUVPLWXNSK-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@@H+](CC(C)(C)CN(C)C)[C@@H]2C1 ZINC001276653999 1314192947 /nfs/dbraw/zinc/19/29/47/1314192947.db2.gz ADQQKPBNMZXPSS-GBESFXJTSA-N 1 3 345.531 2.629 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](CC(C)(C)CN(C)C)[C@@H]2C1 ZINC001276653999 1314192949 /nfs/dbraw/zinc/19/29/49/1314192949.db2.gz ADQQKPBNMZXPSS-GBESFXJTSA-N 1 3 345.531 2.629 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007748976 1307580103 /nfs/dbraw/zinc/58/01/03/1307580103.db2.gz TUMBJPHSNRWAAX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007748976 1307580109 /nfs/dbraw/zinc/58/01/09/1307580109.db2.gz TUMBJPHSNRWAAX-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045776394 1307587841 /nfs/dbraw/zinc/58/78/41/1307587841.db2.gz RPXQAVMUGZWIRD-QYZOEREBSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045776394 1307587847 /nfs/dbraw/zinc/58/78/47/1307587847.db2.gz RPXQAVMUGZWIRD-QYZOEREBSA-N 1 3 333.520 2.725 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](NCc2ncccc2C)C1)[NH+](CC)CC ZINC001209613650 1314200259 /nfs/dbraw/zinc/20/02/59/1314200259.db2.gz KRXUEGMTEBLDEY-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001045809649 1307668856 /nfs/dbraw/zinc/66/88/56/1307668856.db2.gz NUYHNAZSLIMFJJ-HSNLZOIXSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001045809649 1307668858 /nfs/dbraw/zinc/66/88/58/1307668858.db2.gz NUYHNAZSLIMFJJ-HSNLZOIXSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001045809649 1307668862 /nfs/dbraw/zinc/66/88/62/1307668862.db2.gz NUYHNAZSLIMFJJ-HSNLZOIXSA-N 1 3 344.846 2.766 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001045820440 1307691896 /nfs/dbraw/zinc/69/18/96/1307691896.db2.gz ZEIDPKDJASUHTC-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045820440 1307691897 /nfs/dbraw/zinc/69/18/97/1307691897.db2.gz ZEIDPKDJASUHTC-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001209633743 1314204678 /nfs/dbraw/zinc/20/46/78/1314204678.db2.gz WXHWYMVOXZXWMK-WMZOPIPTSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001209633741 1314204719 /nfs/dbraw/zinc/20/47/19/1314204719.db2.gz WXHWYMVOXZXWMK-FUHWJXTLSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001209633183 1314204758 /nfs/dbraw/zinc/20/47/58/1314204758.db2.gz SIRZIMAQBBGFFV-XUFRIQMSSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209640684 1314207203 /nfs/dbraw/zinc/20/72/03/1314207203.db2.gz CSBVBXRDSXQISU-QFBILLFUSA-N 1 3 339.499 2.746 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209643692 1314207499 /nfs/dbraw/zinc/20/74/99/1314207499.db2.gz VJTOCGNJHPOTOW-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001209643693 1314207664 /nfs/dbraw/zinc/20/76/64/1314207664.db2.gz VJTOCGNJHPOTOW-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053093 1307787770 /nfs/dbraw/zinc/78/77/70/1307787770.db2.gz RFJBDNWHHQOUIZ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001008053093 1307787772 /nfs/dbraw/zinc/78/77/72/1307787772.db2.gz RFJBDNWHHQOUIZ-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCC1 ZINC001045895824 1307832800 /nfs/dbraw/zinc/83/28/00/1307832800.db2.gz PJJYNTHNXWQCOJ-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCC1 ZINC001045895824 1307832805 /nfs/dbraw/zinc/83/28/05/1307832805.db2.gz PJJYNTHNXWQCOJ-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCC1 ZINC001045896257 1307833827 /nfs/dbraw/zinc/83/38/27/1307833827.db2.gz APCKFYBZFJYPET-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCC1 ZINC001045896257 1307833834 /nfs/dbraw/zinc/83/38/34/1307833834.db2.gz APCKFYBZFJYPET-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001209670096 1314214005 /nfs/dbraw/zinc/21/40/05/1314214005.db2.gz VVBNPEFHJSFKCW-BWSGSBQUSA-N 1 3 329.488 2.621 20 0 EFADHO CCOc1cc(C(=O)OC)ccc1CN1CCC(C[NH+](C)C)CC1 ZINC001209686070 1314216745 /nfs/dbraw/zinc/21/67/45/1314216745.db2.gz DAPRDAUMWRYWIX-UHFFFAOYSA-N 1 3 334.460 2.646 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001209691521 1314217870 /nfs/dbraw/zinc/21/78/70/1314217870.db2.gz WYWXXGTWNMBDQB-OAHLLOKOSA-N 1 3 345.478 2.590 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001209691520 1314218008 /nfs/dbraw/zinc/21/80/08/1314218008.db2.gz WYWXXGTWNMBDQB-HNNXBMFYSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045938071 1307939271 /nfs/dbraw/zinc/93/92/71/1307939271.db2.gz RGQVPUXAFBPPKU-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045938071 1307939274 /nfs/dbraw/zinc/93/92/74/1307939274.db2.gz RGQVPUXAFBPPKU-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(N[C@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001008277621 1307954696 /nfs/dbraw/zinc/95/46/96/1307954696.db2.gz UBNYHIDWTJGHCV-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+](CC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001008277621 1307954701 /nfs/dbraw/zinc/95/47/01/1307954701.db2.gz UBNYHIDWTJGHCV-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001008277625 1307954951 /nfs/dbraw/zinc/95/49/51/1307954951.db2.gz UBNYHIDWTJGHCV-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001008277625 1307954956 /nfs/dbraw/zinc/95/49/56/1307954956.db2.gz UBNYHIDWTJGHCV-PKOBYXMFSA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942985 1307954988 /nfs/dbraw/zinc/95/49/88/1307954988.db2.gz DUXKAXFCRUSVMV-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CC1 ZINC001045942985 1307954994 /nfs/dbraw/zinc/95/49/94/1307954994.db2.gz DUXKAXFCRUSVMV-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001008298727 1307972147 /nfs/dbraw/zinc/97/21/47/1307972147.db2.gz KEZCJXZHIYSZNZ-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001008298727 1307972150 /nfs/dbraw/zinc/97/21/50/1307972150.db2.gz KEZCJXZHIYSZNZ-YSIASYRMSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001045965105 1308018061 /nfs/dbraw/zinc/01/80/61/1308018061.db2.gz DDMITSCMDOFHPI-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001045965105 1308018062 /nfs/dbraw/zinc/01/80/62/1308018062.db2.gz DDMITSCMDOFHPI-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967382 1308025052 /nfs/dbraw/zinc/02/50/52/1308025052.db2.gz TWRYCGFARCCXPP-PZJWPPBQSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967382 1308025055 /nfs/dbraw/zinc/02/50/55/1308025055.db2.gz TWRYCGFARCCXPP-PZJWPPBQSA-N 1 3 347.547 2.999 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967529 1308025806 /nfs/dbraw/zinc/02/58/06/1308025806.db2.gz WVASMHBEWACKOE-UYAOXDASSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967529 1308025813 /nfs/dbraw/zinc/02/58/13/1308025813.db2.gz WVASMHBEWACKOE-UYAOXDASSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968875 1308029239 /nfs/dbraw/zinc/02/92/39/1308029239.db2.gz IUJZVVNTLCSUDX-LPHOPBHVSA-N 1 3 332.492 2.703 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968875 1308029244 /nfs/dbraw/zinc/02/92/44/1308029244.db2.gz IUJZVVNTLCSUDX-LPHOPBHVSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968639 1308029446 /nfs/dbraw/zinc/02/94/46/1308029446.db2.gz FGBKCJKXWKFQSJ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968639 1308029450 /nfs/dbraw/zinc/02/94/50/1308029450.db2.gz FGBKCJKXWKFQSJ-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008396769 1308044225 /nfs/dbraw/zinc/04/42/25/1308044225.db2.gz ACAWTGOZPCJSPE-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008396766 1308044490 /nfs/dbraw/zinc/04/44/90/1308044490.db2.gz ACAWTGOZPCJSPE-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001045973516 1308044897 /nfs/dbraw/zinc/04/48/97/1308044897.db2.gz SFDGAKOTEDQABL-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)N1CCCCCC1)C2 ZINC001045973516 1308044901 /nfs/dbraw/zinc/04/49/01/1308044901.db2.gz SFDGAKOTEDQABL-ICSRJNTNSA-N 1 3 335.536 2.975 20 0 EFADHO CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045974141 1308045354 /nfs/dbraw/zinc/04/53/54/1308045354.db2.gz ZDANQDLYYAGDHL-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001045974141 1308045357 /nfs/dbraw/zinc/04/53/57/1308045357.db2.gz ZDANQDLYYAGDHL-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)Oc1ccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC001413116782 1308085251 /nfs/dbraw/zinc/08/52/51/1308085251.db2.gz YJYUBNSUHHGQDA-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001413135238 1308123832 /nfs/dbraw/zinc/12/38/32/1308123832.db2.gz YFXGLALRPQLWFB-CJIROOEOSA-N 1 3 336.426 2.945 20 0 EFADHO C[C@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001097779786 1314229294 /nfs/dbraw/zinc/22/92/94/1314229294.db2.gz YCZMERMTCJHNDC-XLNTUCKNSA-N 1 3 341.499 2.811 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC001413134413 1308139114 /nfs/dbraw/zinc/13/91/14/1308139114.db2.gz VHHWEGFJOZSCCJ-RTBURBONSA-N 1 3 343.446 2.841 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC001413134401 1308139340 /nfs/dbraw/zinc/13/93/40/1308139340.db2.gz VHHWEGFJOZSCCJ-OALUTQOASA-N 1 3 343.446 2.841 20 0 EFADHO CC1(C)C[C@H](C[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CCO1 ZINC001276668780 1314232310 /nfs/dbraw/zinc/23/23/10/1314232310.db2.gz PKNOQQBEOFXFIY-QRQLOZEOSA-N 1 3 346.519 2.759 20 0 EFADHO CC1(C)C[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)CCO1 ZINC001276668780 1314232312 /nfs/dbraw/zinc/23/23/12/1314232312.db2.gz PKNOQQBEOFXFIY-QRQLOZEOSA-N 1 3 346.519 2.759 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc2c(c1)CCC2 ZINC001019241595 1314234936 /nfs/dbraw/zinc/23/49/36/1314234936.db2.gz MJXXPBNLKMPGAN-UIAACRFSSA-N 1 3 341.499 2.521 20 0 EFADHO Cc1cccc(CN2CCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001008762181 1308272143 /nfs/dbraw/zinc/27/21/43/1308272143.db2.gz UFDGAYXATQMGEG-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001008763535 1308272883 /nfs/dbraw/zinc/27/28/83/1308272883.db2.gz AICGKFMEBDZJBO-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009202054 1308428613 /nfs/dbraw/zinc/42/86/13/1308428613.db2.gz MFEIUSNIYFHETN-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009202054 1308428617 /nfs/dbraw/zinc/42/86/17/1308428617.db2.gz MFEIUSNIYFHETN-QUCCMNQESA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001046333326 1308549284 /nfs/dbraw/zinc/54/92/84/1308549284.db2.gz YKGNAHPXNTZLHE-ZTNFWEORSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001046333326 1308549287 /nfs/dbraw/zinc/54/92/87/1308549287.db2.gz YKGNAHPXNTZLHE-ZTNFWEORSA-N 1 3 347.478 2.577 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001009510572 1308553570 /nfs/dbraw/zinc/55/35/70/1308553570.db2.gz RPGRCVCVRPNNEU-OALUTQOASA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009510572 1308553573 /nfs/dbraw/zinc/55/35/73/1308553573.db2.gz RPGRCVCVRPNNEU-OALUTQOASA-N 1 3 343.515 2.842 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516151 1308555315 /nfs/dbraw/zinc/55/53/15/1308555315.db2.gz MVXVTFHVOSJOJM-RTBURBONSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516151 1308555318 /nfs/dbraw/zinc/55/53/18/1308555318.db2.gz MVXVTFHVOSJOJM-RTBURBONSA-N 1 3 341.499 2.596 20 0 EFADHO O=C(C[NH+]1CCCC1)N[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC001009531128 1308561174 /nfs/dbraw/zinc/56/11/74/1308561174.db2.gz RQKRHBWDPKPSEY-KRWDZBQOSA-N 1 3 341.455 2.609 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611013 1308585363 /nfs/dbraw/zinc/58/53/63/1308585363.db2.gz NOUDSKKFAFCSBH-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009611013 1308585364 /nfs/dbraw/zinc/58/53/64/1308585364.db2.gz NOUDSKKFAFCSBH-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)=CCN1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614722 1308585819 /nfs/dbraw/zinc/58/58/19/1308585819.db2.gz YNYJRMFKGHCEEV-IBGZPJMESA-N 1 3 329.488 2.909 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624904 1308589025 /nfs/dbraw/zinc/58/90/25/1308589025.db2.gz BMFTZXXMXLDDSR-WMZOPIPTSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624904 1308589027 /nfs/dbraw/zinc/58/90/27/1308589027.db2.gz BMFTZXXMXLDDSR-WMZOPIPTSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374251 1308596142 /nfs/dbraw/zinc/59/61/42/1308596142.db2.gz FSOPDJTZRVNKDX-PZJWPPBQSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374251 1308596144 /nfs/dbraw/zinc/59/61/44/1308596144.db2.gz FSOPDJTZRVNKDX-PZJWPPBQSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc(F)c(C4CC4)c3)[C@@H]2C1 ZINC001278358912 1314261603 /nfs/dbraw/zinc/26/16/03/1314261603.db2.gz XKKMCJLDMCCKJZ-FXAWDEMLSA-N 1 3 331.479 2.771 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccc(F)c(C4CC4)c3)[C@@H]2C1 ZINC001278358912 1314261606 /nfs/dbraw/zinc/26/16/06/1314261606.db2.gz XKKMCJLDMCCKJZ-FXAWDEMLSA-N 1 3 331.479 2.771 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001209951216 1314263099 /nfs/dbraw/zinc/26/30/99/1314263099.db2.gz KGCQRGULWYJEDW-HPRJGHKQSA-N 1 3 327.900 2.582 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001209952364 1314263346 /nfs/dbraw/zinc/26/33/46/1314263346.db2.gz QAOPKYJSFVDFBR-HUUCEWRRSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001209954810 1314263383 /nfs/dbraw/zinc/26/33/83/1314263383.db2.gz ZDSAMOSIKJFDAN-QZTJIDSGSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001209954812 1314263390 /nfs/dbraw/zinc/26/33/90/1314263390.db2.gz ZDSAMOSIKJFDAN-ZWKOTPCHSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCC1)N1CCCCCC1 ZINC001096101487 1308738095 /nfs/dbraw/zinc/73/80/95/1308738095.db2.gz XXAKSZAQVNBDSN-NQYYFHDYSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1)N1CCCCCC1 ZINC001096101487 1308738097 /nfs/dbraw/zinc/73/80/97/1308738097.db2.gz XXAKSZAQVNBDSN-NQYYFHDYSA-N 1 3 333.520 2.773 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853275 1314273599 /nfs/dbraw/zinc/27/35/99/1314273599.db2.gz JUXOISDZZPDRQO-JEWRLFTDSA-N 1 3 339.499 2.721 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001097853275 1314273602 /nfs/dbraw/zinc/27/36/02/1314273602.db2.gz JUXOISDZZPDRQO-JEWRLFTDSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001019337701 1314280522 /nfs/dbraw/zinc/28/05/22/1314280522.db2.gz WRUPRUIQJCUZIL-GDIGMMSISA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019337723 1314280724 /nfs/dbraw/zinc/28/07/24/1314280724.db2.gz XOGQLVFJDLJBOE-NZSAHSFTSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)s1 ZINC001019339055 1314281444 /nfs/dbraw/zinc/28/14/44/1314281444.db2.gz LTDZAPRGTFNMPG-DLBZAZTESA-N 1 3 337.533 2.642 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019340866 1314282123 /nfs/dbraw/zinc/28/21/23/1314282123.db2.gz LJJOZAUHSIZYNQ-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001019342949 1314283430 /nfs/dbraw/zinc/28/34/30/1314283430.db2.gz PVRBFPLJUCFJLV-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001019342763 1314283539 /nfs/dbraw/zinc/28/35/39/1314283539.db2.gz GOHSIXNYNSHTNP-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019342927 1314283686 /nfs/dbraw/zinc/28/36/86/1314283686.db2.gz OWQCAUNGLWDEHA-VQTJNVASSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCCN(C(=O)CN(CC)CC)C2)cc1 ZINC001210217155 1314296264 /nfs/dbraw/zinc/29/62/64/1314296264.db2.gz DLCGLHFCAMOYLJ-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210219733 1314296972 /nfs/dbraw/zinc/29/69/72/1314296972.db2.gz UBNLHLIGPOJOGE-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001210183700 1314293248 /nfs/dbraw/zinc/29/32/48/1314293248.db2.gz QXQXWSVNSLLGKA-XAVKZTDYSA-N 1 3 329.916 2.832 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](NCc2ccccn2)C1)C(C)C ZINC001210190628 1314294187 /nfs/dbraw/zinc/29/41/87/1314294187.db2.gz XMVPPALCHSUZKH-RTBURBONSA-N 1 3 346.519 2.529 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001210229450 1314299119 /nfs/dbraw/zinc/29/91/19/1314299119.db2.gz OXZRTCAIPXLVNF-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001210229148 1314299137 /nfs/dbraw/zinc/29/91/37/1314299137.db2.gz MHZXVYRAKDWSJA-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001019380693 1314302834 /nfs/dbraw/zinc/30/28/34/1314302834.db2.gz JMDSPZMQSJSESD-OALUTQOASA-N 1 3 343.515 2.787 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001019381003 1314303045 /nfs/dbraw/zinc/30/30/45/1314303045.db2.gz VLXBQOUNEMBGKX-PXNSSMCTSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001019381051 1314303246 /nfs/dbraw/zinc/30/32/46/1314303246.db2.gz WVSOWEOETWFYMX-RDJZCZTQSA-N 1 3 341.455 2.608 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2cc3ccccc3o2)C1 ZINC001019381051 1314303250 /nfs/dbraw/zinc/30/32/50/1314303250.db2.gz WVSOWEOETWFYMX-RDJZCZTQSA-N 1 3 341.455 2.608 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001019381218 1314303391 /nfs/dbraw/zinc/30/33/91/1314303391.db2.gz BBUPQKBRIPPMRH-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001019382424 1314304106 /nfs/dbraw/zinc/30/41/06/1314304106.db2.gz ATHGAORPBAKWLG-JXFKEZNVSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001019382457 1314304225 /nfs/dbraw/zinc/30/42/25/1314304225.db2.gz BNWYYUYSUPLZES-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001019386856 1314306139 /nfs/dbraw/zinc/30/61/39/1314306139.db2.gz VRQPZKIFWBLKLP-KRWDZBQOSA-N 1 3 349.906 2.762 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC001019386445 1314306535 /nfs/dbraw/zinc/30/65/35/1314306535.db2.gz OHMNYHITEPEQEQ-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC001019386281 1314306571 /nfs/dbraw/zinc/30/65/71/1314306571.db2.gz LHSHOXJBQIHNAL-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC001019386922 1314306893 /nfs/dbraw/zinc/30/68/93/1314306893.db2.gz YRDRGPZIUQQASU-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC001019386922 1314306896 /nfs/dbraw/zinc/30/68/96/1314306896.db2.gz YRDRGPZIUQQASU-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702117 1314310090 /nfs/dbraw/zinc/31/00/90/1314310090.db2.gz LLOWGHWISZBBGW-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702117 1314310093 /nfs/dbraw/zinc/31/00/93/1314310093.db2.gz LLOWGHWISZBBGW-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)CC2)C1 ZINC001052701455 1314310404 /nfs/dbraw/zinc/31/04/04/1314310404.db2.gz FHRBYAMZYMSHCN-AZUAARDMSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)CC2)C1 ZINC001052701455 1314310408 /nfs/dbraw/zinc/31/04/08/1314310408.db2.gz FHRBYAMZYMSHCN-AZUAARDMSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC001019394298 1314310484 /nfs/dbraw/zinc/31/04/84/1314310484.db2.gz DPWHVJAQCKREON-PMACEKPBSA-N 1 3 339.483 2.871 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702116 1314310641 /nfs/dbraw/zinc/31/06/41/1314310641.db2.gz LLOWGHWISZBBGW-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702116 1314310644 /nfs/dbraw/zinc/31/06/44/1314310644.db2.gz LLOWGHWISZBBGW-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO CN1CCN(c2cccc(-c3cccc(-n4cc[nH+]c4N)c3)c2)CC1 ZINC001243673124 1314312335 /nfs/dbraw/zinc/31/23/35/1314312335.db2.gz LBEROTHGSTUCFI-UHFFFAOYSA-N 1 3 333.439 2.873 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001019397137 1314312616 /nfs/dbraw/zinc/31/26/16/1314312616.db2.gz KPYXEASYHBODSW-BBRMVZONSA-N 1 3 341.858 2.510 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001211126123 1314437420 /nfs/dbraw/zinc/43/74/20/1314437420.db2.gz NIYGQRPPVJYMRP-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001052712279 1314318721 /nfs/dbraw/zinc/31/87/21/1314318721.db2.gz GNUNPVVHKINNFM-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001052712279 1314318723 /nfs/dbraw/zinc/31/87/23/1314318723.db2.gz GNUNPVVHKINNFM-QUCCMNQESA-N 1 3 343.515 2.808 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001052713076 1314319496 /nfs/dbraw/zinc/31/94/96/1314319496.db2.gz QJAMOJPNPCFMPT-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001052713076 1314319498 /nfs/dbraw/zinc/31/94/98/1314319498.db2.gz QJAMOJPNPCFMPT-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001052713074 1314320290 /nfs/dbraw/zinc/32/02/90/1314320290.db2.gz QJAMOJPNPCFMPT-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001052713074 1314320293 /nfs/dbraw/zinc/32/02/93/1314320293.db2.gz QJAMOJPNPCFMPT-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052716296 1314321647 /nfs/dbraw/zinc/32/16/47/1314321647.db2.gz LGSXXRSLYRTYHZ-NVXWUHKLSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052716296 1314321650 /nfs/dbraw/zinc/32/16/50/1314321650.db2.gz LGSXXRSLYRTYHZ-NVXWUHKLSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3=CCCCC3)CC2)C1 ZINC001052712370 1314317904 /nfs/dbraw/zinc/31/79/04/1314317904.db2.gz HPDUGYJVCJOVNR-PKOBYXMFSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3=CCCCC3)CC2)C1 ZINC001052712370 1314317908 /nfs/dbraw/zinc/31/79/08/1314317908.db2.gz HPDUGYJVCJOVNR-PKOBYXMFSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052712748 1314317977 /nfs/dbraw/zinc/31/79/77/1314317977.db2.gz OEXOHOVHDJJGHX-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052712748 1314317980 /nfs/dbraw/zinc/31/79/80/1314317980.db2.gz OEXOHOVHDJJGHX-HKUYNNGSSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001052712393 1314318186 /nfs/dbraw/zinc/31/81/86/1314318186.db2.gz HWYTYCLENDIUGT-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001052712393 1314318188 /nfs/dbraw/zinc/31/81/88/1314318188.db2.gz HWYTYCLENDIUGT-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046934509 1309710884 /nfs/dbraw/zinc/71/08/84/1309710884.db2.gz CJALLMLYNCQXGY-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046934509 1309710893 /nfs/dbraw/zinc/71/08/93/1309710893.db2.gz CJALLMLYNCQXGY-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046945741 1309736262 /nfs/dbraw/zinc/73/62/62/1309736262.db2.gz QMEGQOFIOIWKKP-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046945741 1309736270 /nfs/dbraw/zinc/73/62/70/1309736270.db2.gz QMEGQOFIOIWKKP-HZPDHXFCSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000901192182 1309770000 /nfs/dbraw/zinc/77/00/00/1309770000.db2.gz ICBBMBBQVSUZQC-WDSOQIARSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000901192182 1309770007 /nfs/dbraw/zinc/77/00/07/1309770007.db2.gz ICBBMBBQVSUZQC-WDSOQIARSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)(C)C1CCC(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001019436263 1314337110 /nfs/dbraw/zinc/33/71/10/1314337110.db2.gz VGUDYTPTMLLXBN-JCYILVPMSA-N 1 3 346.519 2.995 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001019438883 1314339305 /nfs/dbraw/zinc/33/93/05/1314339305.db2.gz VYVRYAZJZPRJJJ-AWEZNQCLSA-N 1 3 340.452 2.558 20 0 EFADHO CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001046977325 1309822111 /nfs/dbraw/zinc/82/21/11/1309822111.db2.gz GKWAGBOFKBVBMP-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001046977325 1309822119 /nfs/dbraw/zinc/82/21/19/1309822119.db2.gz GKWAGBOFKBVBMP-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001210493944 1314342998 /nfs/dbraw/zinc/34/29/98/1314342998.db2.gz PRNTXNVVUMIHII-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001210493944 1314343001 /nfs/dbraw/zinc/34/30/01/1314343001.db2.gz PRNTXNVVUMIHII-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC001019468452 1314354711 /nfs/dbraw/zinc/35/47/11/1314354711.db2.gz VVHQJCDXSSRKQM-WMZOPIPTSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1F ZINC001019469758 1314355295 /nfs/dbraw/zinc/35/52/95/1314355295.db2.gz MKZJJCFXDBMARJ-RDJZCZTQSA-N 1 3 347.478 2.809 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCCN(CCC(F)(F)F)CC2)CC1 ZINC001052766799 1314360092 /nfs/dbraw/zinc/36/00/92/1314360092.db2.gz NJMMTUCEBUUALW-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001047189985 1310277876 /nfs/dbraw/zinc/27/78/76/1310277876.db2.gz ITLCMZFHGSOVKE-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCCC1)C2 ZINC001047189985 1310277884 /nfs/dbraw/zinc/27/78/84/1310277884.db2.gz ITLCMZFHGSOVKE-BZSNNMDCSA-N 1 3 344.503 2.810 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCF)C2 ZINC001047207987 1310309993 /nfs/dbraw/zinc/30/99/93/1310309993.db2.gz SIZFDTHHQXJHAH-JQHSSLGASA-N 1 3 347.478 2.691 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCF)C2 ZINC001047207987 1310310003 /nfs/dbraw/zinc/31/00/03/1310310003.db2.gz SIZFDTHHQXJHAH-JQHSSLGASA-N 1 3 347.478 2.691 20 0 EFADHO Cc1cccc(F)c1C[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001276689029 1314381185 /nfs/dbraw/zinc/38/11/85/1314381185.db2.gz YQPBJNOSUFJNLZ-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001047241300 1310392053 /nfs/dbraw/zinc/39/20/53/1310392053.db2.gz ACBRSMLSOZVZKZ-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047243712 1310399645 /nfs/dbraw/zinc/39/96/45/1310399645.db2.gz MHNOPUSJZKSECJ-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244485 1310400497 /nfs/dbraw/zinc/40/04/97/1310400497.db2.gz SNRZPVAVVFVEPU-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001047245172 1310403070 /nfs/dbraw/zinc/40/30/70/1310403070.db2.gz XZNBGTJEXPQPIM-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019558664 1314383609 /nfs/dbraw/zinc/38/36/09/1314383609.db2.gz GBSVXFQHDSYMGP-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019558747 1314383805 /nfs/dbraw/zinc/38/38/05/1314383805.db2.gz JYEIGTHVUGPBLH-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001019560758 1314384074 /nfs/dbraw/zinc/38/40/74/1314384074.db2.gz WVACKDIRUWUDMD-MOPGFXCFSA-N 1 3 343.515 2.978 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC1 ZINC001019560755 1314384137 /nfs/dbraw/zinc/38/41/37/1314384137.db2.gz WTVYRCMFSVXAGY-SFHVURJKSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1)N(C)C ZINC001047255454 1310428392 /nfs/dbraw/zinc/42/83/92/1310428392.db2.gz AIGQKEQCMIWEIW-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047258471 1310435538 /nfs/dbraw/zinc/43/55/38/1310435538.db2.gz BUOKUKICHJKTTA-GOSISDBHSA-N 1 3 344.503 2.869 20 0 EFADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001047262901 1310448273 /nfs/dbraw/zinc/44/82/73/1310448273.db2.gz WDQIXDRLKJGTAC-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001210790694 1314388921 /nfs/dbraw/zinc/38/89/21/1314388921.db2.gz ZEFBIZMCQBXIRE-SFHVURJKSA-N 1 3 335.467 2.557 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001210790193 1314389161 /nfs/dbraw/zinc/38/91/61/1314389161.db2.gz VZIAKHJQEKGECG-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001210810788 1314392013 /nfs/dbraw/zinc/39/20/13/1314392013.db2.gz DGCZHTVBMOLMEH-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001210811162 1314392180 /nfs/dbraw/zinc/39/21/80/1314392180.db2.gz KMWBDPIWSVLOSV-BEFAXECRSA-N 1 3 347.478 2.735 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001210810876 1314392304 /nfs/dbraw/zinc/39/23/04/1314392304.db2.gz GGPJPPRCABNVDX-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001210810679 1314392412 /nfs/dbraw/zinc/39/24/12/1314392412.db2.gz CLQRXHNHJQULLH-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837261 1314407986 /nfs/dbraw/zinc/40/79/86/1314407986.db2.gz ODHDXSVZJUPUME-MSOLQXFVSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019653603 1314410577 /nfs/dbraw/zinc/41/05/77/1314410577.db2.gz NPFWMPKTGZEFDG-HOTGVXAUSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001019653603 1314410583 /nfs/dbraw/zinc/41/05/83/1314410583.db2.gz NPFWMPKTGZEFDG-HOTGVXAUSA-N 1 3 349.906 2.681 20 0 EFADHO CC/C=C\CCN1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221812107 1311036930 /nfs/dbraw/zinc/03/69/30/1311036930.db2.gz ZCXAVDYMESUADD-BWOXJVDFSA-N 1 3 335.536 2.996 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)sc3C)C[C@H]21 ZINC001221918606 1311053775 /nfs/dbraw/zinc/05/37/75/1311053775.db2.gz QQQNCTLMFOQDSD-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3cc(C)sc3C)C[C@H]21 ZINC001221918606 1311053778 /nfs/dbraw/zinc/05/37/78/1311053778.db2.gz QQQNCTLMFOQDSD-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C(F)(F)F ZINC001099317959 1311083836 /nfs/dbraw/zinc/08/38/36/1311083836.db2.gz YRIRSWMUYMAXMN-KFWWJZLASA-N 1 3 349.441 2.638 20 0 EFADHO Cc1cc(CN2CCNC3(CC[NH2+]CC3)C2)cnc1-c1ccccc1 ZINC001222105234 1311085667 /nfs/dbraw/zinc/08/56/67/1311085667.db2.gz XLSKMBHDWLTJEU-UHFFFAOYSA-N 1 3 336.483 2.584 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]1CNCCC2 ZINC001222125766 1311088508 /nfs/dbraw/zinc/08/85/08/1311088508.db2.gz VFPVAFFNUDWCDH-LXZJYRNTSA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](C[C@@H]3CCC(C)=C[C@H]3C)C[C@@H]1CNCCC2 ZINC001222125766 1311088512 /nfs/dbraw/zinc/08/85/12/1311088512.db2.gz VFPVAFFNUDWCDH-LXZJYRNTSA-N 1 3 334.504 2.844 20 0 EFADHO CCOC(=O)[C@@H]1CC2(CN1C[C@@H](C)c1ccccc1)CC[NH2+]CC2 ZINC001222215639 1311100051 /nfs/dbraw/zinc/10/00/51/1311100051.db2.gz IWUCKESQRKMBFK-AEFFLSMTSA-N 1 3 330.472 2.797 20 0 EFADHO CCOC(=O)[C@H]1CC2(CN1Cc1c(C)cccc1C)CC[NH2+]CC2 ZINC001222220566 1311101060 /nfs/dbraw/zinc/10/10/60/1311101060.db2.gz DKAQPZIQFHPSRR-GOSISDBHSA-N 1 3 330.472 2.811 20 0 EFADHO Cc1ccc(OC(C)C)c(CN2CCOCC3(CC[NH2+]CC3)C2)c1 ZINC001222407898 1311126629 /nfs/dbraw/zinc/12/66/29/1311126629.db2.gz QTFZZPJMFNDIBG-UHFFFAOYSA-N 1 3 332.488 2.984 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cn1 ZINC001276830576 1311140236 /nfs/dbraw/zinc/14/02/36/1311140236.db2.gz OYGHZHIYVCBTMJ-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(C)c(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cn1 ZINC001276830576 1311140237 /nfs/dbraw/zinc/14/02/37/1311140237.db2.gz OYGHZHIYVCBTMJ-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001222790153 1311184872 /nfs/dbraw/zinc/18/48/72/1311184872.db2.gz UUYDKAVVCNXFEF-KURKYZTESA-N 1 3 339.499 2.555 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001222790153 1311184875 /nfs/dbraw/zinc/18/48/75/1311184875.db2.gz UUYDKAVVCNXFEF-KURKYZTESA-N 1 3 339.499 2.555 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929398 1311199665 /nfs/dbraw/zinc/19/96/65/1311199665.db2.gz GIFDGVQTLWLHIM-ZIGQXYKSSA-N 1 3 335.536 2.852 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]21 ZINC001222929398 1311199667 /nfs/dbraw/zinc/19/96/67/1311199667.db2.gz GIFDGVQTLWLHIM-ZIGQXYKSSA-N 1 3 335.536 2.852 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223023727 1311209776 /nfs/dbraw/zinc/20/97/76/1311209776.db2.gz NJULSBQWXWVFRL-GNBGVQPESA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N(C)CC)C[C@@H]21 ZINC001223023727 1311209778 /nfs/dbraw/zinc/20/97/78/1311209778.db2.gz NJULSBQWXWVFRL-GNBGVQPESA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364023 1311237137 /nfs/dbraw/zinc/23/71/37/1311237137.db2.gz KTFSQCCFNJXXOG-GGPKGHCWSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364023 1311237141 /nfs/dbraw/zinc/23/71/41/1311237141.db2.gz KTFSQCCFNJXXOG-GGPKGHCWSA-N 1 3 335.536 2.545 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001047866917 1311239296 /nfs/dbraw/zinc/23/92/96/1311239296.db2.gz FQTVVRZUHVEJGZ-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866944 1311239325 /nfs/dbraw/zinc/23/93/25/1311239325.db2.gz FWUIACMFUSRQER-FUHWJXTLSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866736 1311239349 /nfs/dbraw/zinc/23/93/49/1311239349.db2.gz DMUZJILUDVPAAL-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001047866760 1311239472 /nfs/dbraw/zinc/23/94/72/1311239472.db2.gz DXMKWCHBBPNTNT-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047868090 1311240540 /nfs/dbraw/zinc/24/05/40/1311240540.db2.gz MRVLXRYARGHWOF-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869137 1311241781 /nfs/dbraw/zinc/24/17/81/1311241781.db2.gz PIXNSGMUXLPSNN-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001223382118 1311252913 /nfs/dbraw/zinc/25/29/13/1311252913.db2.gz FQTRSRSYAJGTMF-SFHVURJKSA-N 1 3 341.515 2.829 20 0 EFADHO CCC/C=C\CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223464898 1311263628 /nfs/dbraw/zinc/26/36/28/1311263628.db2.gz CSEABSWTOJEGQV-RURPWVQCSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1)C1CC1 ZINC001223472760 1311264784 /nfs/dbraw/zinc/26/47/84/1311264784.db2.gz VGZVKUAPZRNGGG-GOSISDBHSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CCC3CCCC3)CC2)CCC1 ZINC001223472109 1311265172 /nfs/dbraw/zinc/26/51/72/1311265172.db2.gz KMAARBUQMFAOSU-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471566 1311265231 /nfs/dbraw/zinc/26/52/31/1311265231.db2.gz AUJSYHNTLULXMJ-ROUUACIJSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471566 1311265233 /nfs/dbraw/zinc/26/52/33/1311265233.db2.gz AUJSYHNTLULXMJ-ROUUACIJSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC001223525001 1311272260 /nfs/dbraw/zinc/27/22/60/1311272260.db2.gz NPXBITDJITWWED-FQEVSTJZSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2cc(C)cc(C)c2)CC1)N(C)C ZINC001223598080 1311280296 /nfs/dbraw/zinc/28/02/96/1311280296.db2.gz VFOCWAMAXIYMMJ-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001223598081 1311280424 /nfs/dbraw/zinc/28/04/24/1311280424.db2.gz VFPLYDIGSUHHIQ-LJQANCHMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001223598174 1311280625 /nfs/dbraw/zinc/28/06/25/1311280625.db2.gz ZWJBGOGMYUJXIR-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001223654337 1311287562 /nfs/dbraw/zinc/28/75/62/1311287562.db2.gz LSLFZWFVCOCXNV-CEXWTWQISA-N 1 3 349.563 2.981 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001223654264 1311287931 /nfs/dbraw/zinc/28/79/31/1311287931.db2.gz JZWCCNBJLQHDLU-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 ZINC001223654264 1311287932 /nfs/dbraw/zinc/28/79/32/1311287932.db2.gz JZWCCNBJLQHDLU-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102378078 1311306217 /nfs/dbraw/zinc/30/62/17/1311306217.db2.gz NBFCPAXJIGLEPX-RLLQIKCJSA-N 1 3 345.531 2.562 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C)N(C)C ZINC001102378078 1311306220 /nfs/dbraw/zinc/30/62/20/1311306220.db2.gz NBFCPAXJIGLEPX-RLLQIKCJSA-N 1 3 345.531 2.562 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CN(C/C=C/Cl)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102430125 1311309426 /nfs/dbraw/zinc/30/94/26/1311309426.db2.gz FSFNOBXMIVQWIV-RMGSUIBPSA-N 1 3 341.927 2.688 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223846380 1311311155 /nfs/dbraw/zinc/31/11/55/1311311155.db2.gz HKPOHDQQZANQKW-SJORKVTESA-N 1 3 335.517 2.513 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CCN(Cc3ccsc3)[C@H]2C1 ZINC001223846380 1311311159 /nfs/dbraw/zinc/31/11/59/1311311159.db2.gz HKPOHDQQZANQKW-SJORKVTESA-N 1 3 335.517 2.513 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2CCc1cccs1 ZINC001276926052 1311311169 /nfs/dbraw/zinc/31/11/69/1311311169.db2.gz MQNCDOKOTGQQEC-QFBILLFUSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2F)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520981 1311315083 /nfs/dbraw/zinc/31/50/83/1311315083.db2.gz KLIDRUIOMXYHEN-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001223945270 1311324579 /nfs/dbraw/zinc/32/45/79/1311324579.db2.gz PHFXTUKTGWMVPY-KRWDZBQOSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047971443 1311339628 /nfs/dbraw/zinc/33/96/28/1311339628.db2.gz DIORVTMZIHAONX-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975161 1311343230 /nfs/dbraw/zinc/34/32/30/1311343230.db2.gz IIGBTXCBIITMPI-RDJZCZTQSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001047975686 1311343373 /nfs/dbraw/zinc/34/33/73/1311343373.db2.gz MUGUYSBEGVZKPT-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047981233 1311348307 /nfs/dbraw/zinc/34/83/07/1311348307.db2.gz BIEQELDTUJEYLU-SJORKVTESA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047984195 1311350181 /nfs/dbraw/zinc/35/01/81/1311350181.db2.gz QQJIJJMWDAZODE-FUHWJXTLSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047984192 1311350209 /nfs/dbraw/zinc/35/02/09/1311350209.db2.gz QQJIJJMWDAZODE-AEFFLSMTSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346341 1311378853 /nfs/dbraw/zinc/37/88/53/1311378853.db2.gz HEDHYSIURZMMFW-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2cccc(F)c2)CC1)[NH+](C)C ZINC001224402370 1311385472 /nfs/dbraw/zinc/38/54/72/1311385472.db2.gz HCDSIHXUPFMEKH-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1 ZINC001158786800 1311387606 /nfs/dbraw/zinc/38/76/06/1311387606.db2.gz HHFPCHWYOYOORW-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001158786800 1311387609 /nfs/dbraw/zinc/38/76/09/1311387609.db2.gz HHFPCHWYOYOORW-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001224536634 1311404939 /nfs/dbraw/zinc/40/49/39/1311404939.db2.gz LWJJMVDURJRETE-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[NH+]1CCC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001224558273 1311406821 /nfs/dbraw/zinc/40/68/21/1311406821.db2.gz DPCZGXVBYBBLLQ-IBGZPJMESA-N 1 3 341.515 2.683 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001224559583 1311407070 /nfs/dbraw/zinc/40/70/70/1311407070.db2.gz PEJVYSMQYPJIKP-SFHVURJKSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224576545 1311410440 /nfs/dbraw/zinc/41/04/40/1311410440.db2.gz ONGQIYHODLPTLR-MRXNPFEDSA-N 1 3 329.504 2.541 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1)N(C)C ZINC001224583152 1311410786 /nfs/dbraw/zinc/41/07/86/1311410786.db2.gz KRQWVNXSVCVZNI-KVZIAJEVSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C/C=C\c2ccccc2)CC1)N(C)C ZINC001224582811 1311410807 /nfs/dbraw/zinc/41/08/07/1311410807.db2.gz BWTWWOXRGZQCFW-WUQYLLKWSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001224583203 1311410970 /nfs/dbraw/zinc/41/09/70/1311410970.db2.gz MAVOLYBXRKDWLT-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058665 1311417743 /nfs/dbraw/zinc/41/77/43/1311417743.db2.gz ICRRQPQYZFCZEC-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001048059040 1311418094 /nfs/dbraw/zinc/41/80/94/1311418094.db2.gz NLKOJFFWEAIGTO-UYAOXDASSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001048059038 1311418234 /nfs/dbraw/zinc/41/82/34/1311418234.db2.gz NLKOJFFWEAIGTO-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]CC1CCCCCC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059594 1311418774 /nfs/dbraw/zinc/41/87/74/1311418774.db2.gz UNAMJABVKKOTJL-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059143 1311418961 /nfs/dbraw/zinc/41/89/61/1311418961.db2.gz PDUWIOXHQGMCFR-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048063721 1311423142 /nfs/dbraw/zinc/42/31/42/1311423142.db2.gz FRABVZBVDSZRBT-QFBILLFUSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048068857 1311428163 /nfs/dbraw/zinc/42/81/63/1311428163.db2.gz JSGMTSUVDMLYOJ-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740025 1311429602 /nfs/dbraw/zinc/42/96/02/1311429602.db2.gz VWFBFIGALPWCGG-WMZOPIPTSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001224740024 1311429777 /nfs/dbraw/zinc/42/97/77/1311429777.db2.gz VWFBFIGALPWCGG-SJLPKXTDSA-N 1 3 341.515 2.827 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2CCN(Cc3ccsc3)CC2)CC1 ZINC001224753591 1311431061 /nfs/dbraw/zinc/43/10/61/1311431061.db2.gz JXBZPYABLXRPMF-UHFFFAOYSA-N 1 3 349.544 2.808 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001224884447 1311446412 /nfs/dbraw/zinc/44/64/12/1311446412.db2.gz VCJWQCCXNUWUHE-MSOLQXFVSA-N 1 3 343.531 2.929 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001224911411 1311449929 /nfs/dbraw/zinc/44/99/29/1311449929.db2.gz OVHYBNNUPUCEGX-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO c1ccc(CN2CC=C(Nc3ccc(N4CC[NH2+]CC4)cn3)CC2)cc1 ZINC001159122526 1311455442 /nfs/dbraw/zinc/45/54/42/1311455442.db2.gz BTJSJHHEYJKBSE-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO c1ccc(CN2CCC=C(Nc3cccnc3N3CC[NH2+]CC3)C2)cc1 ZINC001159186835 1311469851 /nfs/dbraw/zinc/46/98/51/1311469851.db2.gz MXDLWHLJYKYNSS-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ncc4c(n2)CCNC4)C3)cc1 ZINC001159288825 1311487274 /nfs/dbraw/zinc/48/72/74/1311487274.db2.gz XJJKBMPGVJQLOM-LDLYASANSA-N 1 3 349.482 2.730 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Nc2ncc4c(n2)CCNC4)C3)cc1 ZINC001159288825 1311487277 /nfs/dbraw/zinc/48/72/77/1311487277.db2.gz XJJKBMPGVJQLOM-LDLYASANSA-N 1 3 349.482 2.730 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001225228816 1311492411 /nfs/dbraw/zinc/49/24/11/1311492411.db2.gz ZQHRQHCOLNBBIJ-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO [NH3+][C@@H]1CCN(c2ccc(NC3=CCCN(Cc4ccccc4)C3)cn2)C1 ZINC001159323359 1311493518 /nfs/dbraw/zinc/49/35/18/1311493518.db2.gz LGEDPDRFNNZGHX-GOSISDBHSA-N 1 3 349.482 2.821 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC001225252506 1311495535 /nfs/dbraw/zinc/49/55/35/1311495535.db2.gz PPPFHVOOCTWSDR-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001225252509 1311495586 /nfs/dbraw/zinc/49/55/86/1311495586.db2.gz PZWBEDPBYBEHIK-CEXWTWQISA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001225252513 1311495624 /nfs/dbraw/zinc/49/56/24/1311495624.db2.gz PZWBEDPBYBEHIK-QRVBRYPASA-N 1 3 335.536 2.593 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001014398519 1311497022 /nfs/dbraw/zinc/49/70/22/1311497022.db2.gz PCXVTXHRKJRQSG-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001014398519 1311497026 /nfs/dbraw/zinc/49/70/26/1311497026.db2.gz PCXVTXHRKJRQSG-WOJBJXKFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001014398507 1311497076 /nfs/dbraw/zinc/49/70/76/1311497076.db2.gz PCXVTXHRKJRQSG-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001014398507 1311497079 /nfs/dbraw/zinc/49/70/79/1311497079.db2.gz PCXVTXHRKJRQSG-UXHICEINSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001225284061 1311500696 /nfs/dbraw/zinc/50/06/96/1311500696.db2.gz CZGNGSGBTOGYKY-FGTMMUONSA-N 1 3 344.503 2.525 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001225285431 1311501033 /nfs/dbraw/zinc/50/10/33/1311501033.db2.gz NDTJLATZTOYZTC-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO C[C@H](Nc1[nH+]ccc2c1ccn2Cc1ccccc1)[C@@H]1CNCCO1 ZINC001159500290 1311527461 /nfs/dbraw/zinc/52/74/61/1311527461.db2.gz RJNUWFIAVNDHOJ-KXBFYZLASA-N 1 3 336.439 2.873 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CCN(CCC(F)(F)F)CC1 ZINC001225541494 1311539819 /nfs/dbraw/zinc/53/98/19/1311539819.db2.gz FHNGQQFSRFNDOU-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CCCCCF)CC1 ZINC001225541354 1311539959 /nfs/dbraw/zinc/53/99/59/1311539959.db2.gz APEZPHPHOBWMCW-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CN1CCC=C(Nc2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)C1 ZINC001159576932 1311544360 /nfs/dbraw/zinc/54/43/60/1311544360.db2.gz XNWOJQVHKZSHTL-UHFFFAOYSA-N 1 3 340.393 2.746 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@@H+]1C ZINC001014501849 1311546295 /nfs/dbraw/zinc/54/62/95/1311546295.db2.gz KWMSBHDVUJWLIY-FGTMMUONSA-N 1 3 349.544 2.786 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001014501849 1311546298 /nfs/dbraw/zinc/54/62/98/1311546298.db2.gz KWMSBHDVUJWLIY-FGTMMUONSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(F)ccc1C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578548 1311546764 /nfs/dbraw/zinc/54/67/64/1311546764.db2.gz WYYNYYRDIMYTFL-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001225577848 1311546939 /nfs/dbraw/zinc/54/69/39/1311546939.db2.gz LKVUTZWEWQZGMT-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCCc2ccccc2)CC1 ZINC001225582048 1311547260 /nfs/dbraw/zinc/54/72/60/1311547260.db2.gz BXLZXGHJDJYXMZ-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582258 1311548233 /nfs/dbraw/zinc/54/82/33/1311548233.db2.gz GUEBYBHJJZBYMB-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cc(C[N@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001159627932 1311555234 /nfs/dbraw/zinc/55/52/34/1311555234.db2.gz CTEZEJSHVFKZGA-GOSISDBHSA-N 1 3 347.528 2.789 20 0 EFADHO Cc1cc(C[N@@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)cs1 ZINC001159627932 1311555236 /nfs/dbraw/zinc/55/52/36/1311555236.db2.gz CTEZEJSHVFKZGA-GOSISDBHSA-N 1 3 347.528 2.789 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001159628539 1311555382 /nfs/dbraw/zinc/55/53/82/1311555382.db2.gz LODOODDOWQEKPT-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001159628539 1311555383 /nfs/dbraw/zinc/55/53/83/1311555383.db2.gz LODOODDOWQEKPT-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCN(c2ccc(Nc3ccc(OCC[NH3+])cc3)cc2)CC1 ZINC001159686352 1311564561 /nfs/dbraw/zinc/56/45/61/1311564561.db2.gz HIFAIOQUCBQHRO-UHFFFAOYSA-N 1 3 340.471 2.910 20 0 EFADHO Cc1cc(N2CCC[C@@]3(CCN(Cc4cccc(=O)[nH]4)C3)C2)cc[nH+]1 ZINC001277064792 1311565044 /nfs/dbraw/zinc/56/50/44/1311565044.db2.gz PMYQTVAXVCNPII-FQEVSTJZSA-N 1 3 338.455 2.983 20 0 EFADHO N[C@H](CCC[NH3+])NC(F)(F)c1cc(-c2cccs2)nnc1Cl ZINC001159786871 1311584232 /nfs/dbraw/zinc/58/42/32/1311584232.db2.gz LZUFRBXQKMTMPU-NSHDSACASA-N 1 3 347.822 2.521 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159853390 1311597546 /nfs/dbraw/zinc/59/75/46/1311597546.db2.gz DBYRGLSBILSMEP-UHFFFAOYSA-N 1 3 331.504 2.719 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cccc(F)c2Cl)CCC1 ZINC001159853209 1311597633 /nfs/dbraw/zinc/59/76/33/1311597633.db2.gz ASUMDQKFWBLTJS-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCCc3ccccc32)CCC1 ZINC001159861382 1311598769 /nfs/dbraw/zinc/59/87/69/1311598769.db2.gz OMJKAQFKIITWMQ-SFHVURJKSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001159915325 1311607812 /nfs/dbraw/zinc/60/78/12/1311607812.db2.gz JNWDLJCKQPFMRP-SUMWQHHRSA-N 1 3 337.895 2.837 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)C1CC1 ZINC001159915648 1311608042 /nfs/dbraw/zinc/60/80/42/1311608042.db2.gz LJVXOZJMBUVUKS-RTBURBONSA-N 1 3 347.478 2.639 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001159917125 1311608270 /nfs/dbraw/zinc/60/82/70/1311608270.db2.gz VQANYRJGGBPNHN-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC[C@H]1CCc2ccccc21)C1CC1 ZINC001159931578 1311611891 /nfs/dbraw/zinc/61/18/91/1311611891.db2.gz FNHYLSCCFVTENK-YLJYHZDGSA-N 1 3 343.515 2.543 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCC2 ZINC001159932451 1311612018 /nfs/dbraw/zinc/61/20/18/1311612018.db2.gz RQLOGSKIKJHYCV-QRWLVFNGSA-N 1 3 343.515 2.672 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001159997120 1311626838 /nfs/dbraw/zinc/62/68/38/1311626838.db2.gz HDDXMRVOTIMAKT-LJQANCHMSA-N 1 3 347.478 2.783 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048275058 1311628085 /nfs/dbraw/zinc/62/80/85/1311628085.db2.gz BYCKIRFKVAAAQO-FUHWJXTLSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001048276452 1311629175 /nfs/dbraw/zinc/62/91/75/1311629175.db2.gz HSLNTCHEDRNRNF-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001048276453 1311629540 /nfs/dbraw/zinc/62/95/40/1311629540.db2.gz HSLNTCHEDRNRNF-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048278528 1311631556 /nfs/dbraw/zinc/63/15/56/1311631556.db2.gz YDRSUJRCBWLWLQ-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048278809 1311632190 /nfs/dbraw/zinc/63/21/90/1311632190.db2.gz CXDUIEYYMOTLMX-SJLPKXTDSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001014627592 1311633127 /nfs/dbraw/zinc/63/31/27/1311633127.db2.gz HPZJCLWXTLYFSS-PMACEKPBSA-N 1 3 343.515 2.602 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001014627592 1311633129 /nfs/dbraw/zinc/63/31/29/1311633129.db2.gz HPZJCLWXTLYFSS-PMACEKPBSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cs1 ZINC001048280879 1311633887 /nfs/dbraw/zinc/63/38/87/1311633887.db2.gz PTIGPFNKMDDUCX-RHSMWYFYSA-N 1 3 349.544 2.725 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014631093 1311634469 /nfs/dbraw/zinc/63/44/69/1311634469.db2.gz OFDDEIRLPUMZCR-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014631093 1311634473 /nfs/dbraw/zinc/63/44/73/1311634473.db2.gz OFDDEIRLPUMZCR-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@@H]2C)c1 ZINC001048282188 1311634810 /nfs/dbraw/zinc/63/48/10/1311634810.db2.gz XVRSTBVMGALHMC-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014631096 1311634888 /nfs/dbraw/zinc/63/48/88/1311634888.db2.gz OFDDEIRLPUMZCR-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014631096 1311634892 /nfs/dbraw/zinc/63/48/92/1311634892.db2.gz OFDDEIRLPUMZCR-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF)N1CCCCC1 ZINC001226275143 1311640456 /nfs/dbraw/zinc/64/04/56/1311640456.db2.gz JGZIVTVKPHIECF-HZPDHXFCSA-N 1 3 327.488 2.628 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001014705266 1311675854 /nfs/dbraw/zinc/67/58/54/1311675854.db2.gz NHBVRGUDQRHBDR-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001014705266 1311675857 /nfs/dbraw/zinc/67/58/57/1311675857.db2.gz NHBVRGUDQRHBDR-UXHICEINSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001014721761 1311687555 /nfs/dbraw/zinc/68/75/55/1311687555.db2.gz KOTPLMOTJHMGPF-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001014721761 1311687559 /nfs/dbraw/zinc/68/75/59/1311687559.db2.gz KOTPLMOTJHMGPF-OALUTQOASA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001014722915 1311688998 /nfs/dbraw/zinc/68/89/98/1311688998.db2.gz NIGMECLOLVMAPK-IRXDYDNUSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(CCc2cccs2)C1 ZINC001014722915 1311689000 /nfs/dbraw/zinc/68/90/00/1311689000.db2.gz NIGMECLOLVMAPK-IRXDYDNUSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001014724895 1311690699 /nfs/dbraw/zinc/69/06/99/1311690699.db2.gz XTYJQGROPRHEBB-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001014724895 1311690702 /nfs/dbraw/zinc/69/07/02/1311690702.db2.gz XTYJQGROPRHEBB-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CCC(CC)C[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359924 1311696134 /nfs/dbraw/zinc/69/61/34/1311696134.db2.gz GKLHLHMWWQOLCB-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CCC(CC)C[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160359924 1311696136 /nfs/dbraw/zinc/69/61/36/1311696136.db2.gz GKLHLHMWWQOLCB-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360892 1311696746 /nfs/dbraw/zinc/69/67/46/1311696746.db2.gz YDGFLNZQQKVDCA-VOFKWLDRSA-N 1 3 333.520 2.821 20 0 EFADHO CC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360892 1311696749 /nfs/dbraw/zinc/69/67/49/1311696749.db2.gz YDGFLNZQQKVDCA-VOFKWLDRSA-N 1 3 333.520 2.821 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226614806 1311697258 /nfs/dbraw/zinc/69/72/58/1311697258.db2.gz SWUATUSFIIPIIZ-IVZDYFLXSA-N 1 3 327.900 2.630 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001160360947 1311697380 /nfs/dbraw/zinc/69/73/80/1311697380.db2.gz ZYRKJYZTDNQLNS-LJQANCHMSA-N 1 3 347.547 2.901 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1)C1CC1 ZINC001160360947 1311697384 /nfs/dbraw/zinc/69/73/84/1311697384.db2.gz ZYRKJYZTDNQLNS-LJQANCHMSA-N 1 3 347.547 2.901 20 0 EFADHO C[NH+](C)[C@@H](C(=O)NCCC1=CCN(Cc2ccsc2)CC1)C1CC1 ZINC001160360422 1311697462 /nfs/dbraw/zinc/69/74/62/1311697462.db2.gz QXJLBVSONRTCDT-GOSISDBHSA-N 1 3 347.528 2.727 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001160406336 1311704066 /nfs/dbraw/zinc/70/40/66/1311704066.db2.gz NWPBFFHWOAVJBV-SFHVURJKSA-N 1 3 349.544 2.973 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CC(C)C2)CC1)N(C)C ZINC001160407251 1311704751 /nfs/dbraw/zinc/70/47/51/1311704751.db2.gz ZHHPDKKGVIXOAR-KVZIAJEVSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1)N(C)C ZINC001160407251 1311704752 /nfs/dbraw/zinc/70/47/52/1311704752.db2.gz ZHHPDKKGVIXOAR-KVZIAJEVSA-N 1 3 335.536 2.757 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001160420393 1311706405 /nfs/dbraw/zinc/70/64/05/1311706405.db2.gz CWRYJTCPCNSPCS-IBGZPJMESA-N 1 3 333.520 2.794 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001160426145 1311707327 /nfs/dbraw/zinc/70/73/27/1311707327.db2.gz DXRXLETVPPNADH-ICSRJNTNSA-N 1 3 345.531 2.789 20 0 EFADHO CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160427620 1311707577 /nfs/dbraw/zinc/70/75/77/1311707577.db2.gz BNYWFXQRAYKXLG-SFHVURJKSA-N 1 3 329.488 2.690 20 0 EFADHO CCCCN(Cc1ccccc1)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160427620 1311707579 /nfs/dbraw/zinc/70/75/79/1311707579.db2.gz BNYWFXQRAYKXLG-SFHVURJKSA-N 1 3 329.488 2.690 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001160426369 1311707720 /nfs/dbraw/zinc/70/77/20/1311707720.db2.gz DYOWLNWBHDJZKS-IBGZPJMESA-N 1 3 333.520 2.992 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@H](Cc2ccccc2)C1 ZINC001160455436 1311713110 /nfs/dbraw/zinc/71/31/10/1311713110.db2.gz YGOURLAWTCCJAU-UXHICEINSA-N 1 3 345.531 2.963 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461508 1311714932 /nfs/dbraw/zinc/71/49/32/1311714932.db2.gz RWBVILGVAPXKAO-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CCCCCF)CC1)N(C)C ZINC001160478847 1311719568 /nfs/dbraw/zinc/71/95/68/1311719568.db2.gz AYABSGLJVAJDEF-QGZVFWFLSA-N 1 3 327.488 2.605 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)N(C)C ZINC001160478847 1311719572 /nfs/dbraw/zinc/71/95/72/1311719572.db2.gz AYABSGLJVAJDEF-QGZVFWFLSA-N 1 3 327.488 2.605 20 0 EFADHO CC[NH+](CC)C1CCN(C(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001160483245 1311720158 /nfs/dbraw/zinc/72/01/58/1311720158.db2.gz RYQGGZMNGZZFTH-ILCGBQQYSA-N 1 3 347.547 2.863 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCCCF)CCC1 ZINC001226790426 1311724326 /nfs/dbraw/zinc/72/43/26/1311724326.db2.gz CGKREFNQTSZTMV-HZPDHXFCSA-N 1 3 327.488 2.628 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC1CCC1)C1CC1 ZINC001226800403 1311725002 /nfs/dbraw/zinc/72/50/02/1311725002.db2.gz KNEJHZLFRRIQIO-QRVBRYPASA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1)C1CC1 ZINC001226801396 1311725383 /nfs/dbraw/zinc/72/53/83/1311725383.db2.gz WJVISRVXSJDOCK-BRWVUGGUSA-N 1 3 335.517 2.605 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)cc1 ZINC001226824038 1311728888 /nfs/dbraw/zinc/72/88/88/1311728888.db2.gz JBFREBHJTOCREJ-WOJBJXKFSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001048385347 1311730904 /nfs/dbraw/zinc/73/09/04/1311730904.db2.gz ANHPHPVWODITCA-WBVHZDCISA-N 1 3 349.544 2.664 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]Cc1ccccc1 ZINC001048388004 1311732571 /nfs/dbraw/zinc/73/25/71/1311732571.db2.gz UTRLPXVKSWFHPW-MJGOQNOKSA-N 1 3 343.515 2.603 20 0 EFADHO O=C(NCCC1=CC[N@H+](C/C=C\Cl)CC1)c1ccn2cncc2c1 ZINC001160617861 1311747095 /nfs/dbraw/zinc/74/70/95/1311747095.db2.gz XFVZUNJDVDYHOI-BHQIHCQQSA-N 1 3 344.846 2.839 20 0 EFADHO O=C(NCCC1=CC[N@@H+](C/C=C\Cl)CC1)c1ccn2cncc2c1 ZINC001160617861 1311747096 /nfs/dbraw/zinc/74/70/96/1311747096.db2.gz XFVZUNJDVDYHOI-BHQIHCQQSA-N 1 3 344.846 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCCCC1 ZINC001048415403 1311753605 /nfs/dbraw/zinc/75/36/05/1311753605.db2.gz BCHGSIKLZGVHJB-UYAOXDASSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001048418122 1311755432 /nfs/dbraw/zinc/75/54/32/1311755432.db2.gz PQCDNFKFECCCMS-FUHWJXTLSA-N 1 3 349.544 2.664 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048419038 1311756067 /nfs/dbraw/zinc/75/60/67/1311756067.db2.gz XVLWALFJUOLQQJ-ICSRJNTNSA-N 1 3 347.547 2.903 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C(Cl)Cl)N(C)C ZINC001227056252 1311756155 /nfs/dbraw/zinc/75/61/55/1311756155.db2.gz CXXPJEHWOPPUCU-JHJVBQTASA-N 1 3 336.307 2.663 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC001227150345 1311768805 /nfs/dbraw/zinc/76/88/05/1311768805.db2.gz OTUXISLYKLEQLC-HUUCEWRRSA-N 1 3 345.478 2.779 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC001227165686 1311771074 /nfs/dbraw/zinc/77/10/74/1311771074.db2.gz PKDSOPDVLDCEHX-QZTJIDSGSA-N 1 3 346.519 2.637 20 0 EFADHO CCNc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000902473133 1311771657 /nfs/dbraw/zinc/77/16/57/1311771657.db2.gz RUSVYDTXAAUKRO-HXUWFJFHSA-N 1 3 339.483 2.975 20 0 EFADHO CCNc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000902473133 1311771658 /nfs/dbraw/zinc/77/16/58/1311771658.db2.gz RUSVYDTXAAUKRO-HXUWFJFHSA-N 1 3 339.483 2.975 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1Cc2ccccc2C(C)(C)C1 ZINC001160886407 1311803235 /nfs/dbraw/zinc/80/32/35/1311803235.db2.gz KERZEXIWSLPOQX-SFHVURJKSA-N 1 3 331.504 2.802 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)C(=O)[C@@H]([NH3+])CC1CCC1 ZINC001160956964 1311821165 /nfs/dbraw/zinc/82/11/65/1311821165.db2.gz PTBAOKSRMCRMEJ-VDGAXYAQSA-N 1 3 343.515 2.873 20 0 EFADHO C[C@H]1CC[NH2+][C@H](C(=O)N(C)[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)C1 ZINC001160956412 1311821261 /nfs/dbraw/zinc/82/12/61/1311821261.db2.gz MHVHPCBTSROILI-ZULIPRJHSA-N 1 3 343.515 2.744 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@@H](C)C[C@H]2COCCN2)c1 ZINC000902528917 1311839116 /nfs/dbraw/zinc/83/91/16/1311839116.db2.gz SSDVVPSUSNOLPP-WMZOPIPTSA-N 1 3 335.492 2.586 20 0 EFADHO C[C@H](c1cccc2ccccc21)N(C)C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161047337 1311845694 /nfs/dbraw/zinc/84/56/94/1311845694.db2.gz YDQNOOMYQMNLCX-QLVMHMETSA-N 1 3 337.467 2.558 20 0 EFADHO CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161060268 1311848789 /nfs/dbraw/zinc/84/87/89/1311848789.db2.gz ASFRHHWXIVZNEB-KKUMJFAQSA-N 1 3 343.393 2.824 20 0 EFADHO Cc1cc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)c(C)s1 ZINC001227797772 1311857622 /nfs/dbraw/zinc/85/76/22/1311857622.db2.gz MJMHYBDAHZBRMR-UHFFFAOYSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227796887 1311857655 /nfs/dbraw/zinc/85/76/55/1311857655.db2.gz DCXMVPXIBXVXNA-LIRRHRJNSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)c(C)c1 ZINC001227806462 1311859119 /nfs/dbraw/zinc/85/91/19/1311859119.db2.gz AGBLXFHFHHOQOR-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1)C1CC1 ZINC001227817462 1311860881 /nfs/dbraw/zinc/86/08/81/1311860881.db2.gz LMEUMYNFAJVXAV-LJQANCHMSA-N 1 3 347.478 2.577 20 0 EFADHO C[NH+](C)[C@@H](C(=O)NC1CCN(C/C=C/c2ccccc2)CC1)C1CC1 ZINC001227818075 1311861009 /nfs/dbraw/zinc/86/10/09/1311861009.db2.gz QJUXMLLUPZWNEK-AQDCRGGLSA-N 1 3 341.499 2.621 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001227825235 1311862179 /nfs/dbraw/zinc/86/21/79/1311862179.db2.gz IFBRDGZFDCPMHW-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)C1CCC1 ZINC001227832045 1311863090 /nfs/dbraw/zinc/86/30/90/1311863090.db2.gz APLPXWKDZXHFDB-HXUWFJFHSA-N 1 3 341.499 2.739 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCCCC(F)(F)F)CC1)C1CCC1 ZINC001227832176 1311863618 /nfs/dbraw/zinc/86/36/18/1311863618.db2.gz FTBSKLBIONEKOX-UHFFFAOYSA-N 1 3 349.441 2.784 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527495 1311864242 /nfs/dbraw/zinc/86/42/42/1311864242.db2.gz QWVBDDZHFPGEJX-RDGPPVDQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001048527495 1311864245 /nfs/dbraw/zinc/86/42/45/1311864245.db2.gz QWVBDDZHFPGEJX-RDGPPVDQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1)N(C)C ZINC001227900122 1311871238 /nfs/dbraw/zinc/87/12/38/1311871238.db2.gz OHPKYUOHEGLOCT-TVPLGVNVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)(C)CCN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001277256504 1311879857 /nfs/dbraw/zinc/87/98/57/1311879857.db2.gz XSGUVHWHSHPTIT-UHFFFAOYSA-N 1 3 347.547 2.997 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC001161413882 1311882520 /nfs/dbraw/zinc/88/25/20/1311882520.db2.gz RREZGJOTRYQJSL-ZEQHWRKHSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2C)CC1)N(C)C ZINC001227979151 1311882733 /nfs/dbraw/zinc/88/27/33/1311882733.db2.gz AICQVUNPBGNABK-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO N[C@H](CC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cccc(Cl)c1Cl ZINC001161413611 1311882831 /nfs/dbraw/zinc/88/28/31/1311882831.db2.gz QUPMFSBXBNATHQ-RMIQQSQVSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2cccc(F)c2)CC1)N(C)C ZINC001227980093 1311883168 /nfs/dbraw/zinc/88/31/68/1311883168.db2.gz ONCJTQJVAHMROF-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015053428 1311883295 /nfs/dbraw/zinc/88/32/95/1311883295.db2.gz QZHMVRJMXRSAGP-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015053428 1311883299 /nfs/dbraw/zinc/88/32/99/1311883299.db2.gz QZHMVRJMXRSAGP-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CCCc2ccc(C)cc2)CC1)N(C)C ZINC001227979583 1311883568 /nfs/dbraw/zinc/88/35/68/1311883568.db2.gz JICSYAGFMZNLFW-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC001227980758 1311883660 /nfs/dbraw/zinc/88/36/60/1311883660.db2.gz VYQVNWVWXOGDSA-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015052828 1311883799 /nfs/dbraw/zinc/88/37/99/1311883799.db2.gz OCFLASUXSYCIFG-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015052828 1311883801 /nfs/dbraw/zinc/88/38/01/1311883801.db2.gz OCFLASUXSYCIFG-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccc(CC[NH+]2CCC(NC(=O)[C@@H](CC)N(C)C)CC2)cc1 ZINC001227986835 1311884613 /nfs/dbraw/zinc/88/46/13/1311884613.db2.gz NIHNRDXXCKZVKP-HXUWFJFHSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](CC2CCC(F)(F)CC2)CC1)N(C)C ZINC001227987308 1311884952 /nfs/dbraw/zinc/88/49/52/1311884952.db2.gz WXOQIBYPMONTAP-MRXNPFEDSA-N 1 3 345.478 2.733 20 0 EFADHO CN(C)CCN(C(=O)Cc1ccc(C(C)(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC001161442673 1311891158 /nfs/dbraw/zinc/89/11/58/1311891158.db2.gz DUYNLACEWNXKKC-LJQANCHMSA-N 1 3 345.531 2.669 20 0 EFADHO Cc1cc(OC(C)C)ccc1C(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161450661 1311892447 /nfs/dbraw/zinc/89/24/47/1311892447.db2.gz HHJQAJPLRHQVDQ-KRWDZBQOSA-N 1 3 347.503 2.538 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2ccsc21)[C@H]1CCC[NH2+]C1 ZINC001161450110 1311892510 /nfs/dbraw/zinc/89/25/10/1311892510.db2.gz AWKKDVDUPWAYIX-HNNXBMFYSA-N 1 3 331.485 2.657 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2sccc21)[C@@H]1CCC[NH2+]C1 ZINC001161453044 1311893160 /nfs/dbraw/zinc/89/31/60/1311893160.db2.gz XLVTVIDIOCIAOC-CQSZACIVSA-N 1 3 331.485 2.657 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)N1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC001161453930 1311893421 /nfs/dbraw/zinc/89/34/21/1311893421.db2.gz NXLDWVXDZJORMV-LSDHHAIUSA-N 1 3 343.393 2.825 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001161504330 1311902072 /nfs/dbraw/zinc/90/20/72/1311902072.db2.gz IBIDAIWGIDGFJK-UHFFFAOYSA-N 1 3 343.462 2.512 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001161504330 1311902074 /nfs/dbraw/zinc/90/20/74/1311902074.db2.gz IBIDAIWGIDGFJK-UHFFFAOYSA-N 1 3 343.462 2.512 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2C)CC1 ZINC001161504146 1311902126 /nfs/dbraw/zinc/90/21/26/1311902126.db2.gz CVNKUMBWCYLBDF-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2C)CC1 ZINC001161504146 1311902128 /nfs/dbraw/zinc/90/21/28/1311902128.db2.gz CVNKUMBWCYLBDF-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161504404 1311903206 /nfs/dbraw/zinc/90/32/06/1311903206.db2.gz KWVNDORPGRZLSK-UHFFFAOYSA-N 1 3 335.536 2.903 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161504404 1311903209 /nfs/dbraw/zinc/90/32/09/1311903209.db2.gz KWVNDORPGRZLSK-UHFFFAOYSA-N 1 3 335.536 2.903 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015090551 1311904936 /nfs/dbraw/zinc/90/49/36/1311904936.db2.gz QCDXSHRMQGGSMB-IBGZPJMESA-N 1 3 341.499 2.622 20 0 EFADHO O=C(c1ccc2c(c1)CNC2)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161599369 1311927048 /nfs/dbraw/zinc/92/70/48/1311927048.db2.gz QXIVYFIYEQVRRA-UHFFFAOYSA-N 1 3 333.435 2.525 20 0 EFADHO Cc1cccc2ccnc(N[C@H]3CC[C@H](NC(=O)C[NH+](C)C)CC3)c12 ZINC001161667876 1311945830 /nfs/dbraw/zinc/94/58/30/1311945830.db2.gz PMRXBWLGRQFZPY-QAQDUYKDSA-N 1 3 340.471 2.944 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001048606635 1311961296 /nfs/dbraw/zinc/96/12/96/1311961296.db2.gz AICUVKRGEOUNNX-FHWLQOOXSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001161785790 1311972259 /nfs/dbraw/zinc/97/22/59/1311972259.db2.gz RYZDQGUORIDPEG-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001161785790 1311972261 /nfs/dbraw/zinc/97/22/61/1311972261.db2.gz RYZDQGUORIDPEG-UHFFFAOYSA-N 1 3 344.503 2.979 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)N(C)C ZINC001228660771 1311976975 /nfs/dbraw/zinc/97/69/75/1311976975.db2.gz IXBPUSTTYGFNPH-KURKYZTESA-N 1 3 335.467 2.683 20 0 EFADHO CC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001048624272 1311980819 /nfs/dbraw/zinc/98/08/19/1311980819.db2.gz NNLOBFUSYJGMKM-QAQDUYKDSA-N 1 3 331.504 2.894 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c2cc[nH]c21 ZINC001277324220 1311986197 /nfs/dbraw/zinc/98/61/97/1311986197.db2.gz MKAUOTUGGPKJRB-ALOPSCKCSA-N 1 3 344.478 2.954 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161874643 1311992640 /nfs/dbraw/zinc/99/26/40/1311992640.db2.gz HWPBPRAHORDTFR-GOSISDBHSA-N 1 3 341.499 2.982 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161874643 1311992641 /nfs/dbraw/zinc/99/26/41/1311992641.db2.gz HWPBPRAHORDTFR-GOSISDBHSA-N 1 3 341.499 2.982 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001161953647 1312012378 /nfs/dbraw/zinc/01/23/78/1312012378.db2.gz ZAYPQXBOCFDRJL-FUHWJXTLSA-N 1 3 339.499 2.747 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161953647 1312012382 /nfs/dbraw/zinc/01/23/82/1312012382.db2.gz ZAYPQXBOCFDRJL-FUHWJXTLSA-N 1 3 339.499 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001228895981 1312016684 /nfs/dbraw/zinc/01/66/84/1312016684.db2.gz SQILMRZKQOXQBJ-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC001228904518 1312018159 /nfs/dbraw/zinc/01/81/59/1312018159.db2.gz KMJBVDKUPGUZQK-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO COc1cccc([C@@H](C)N2CCC(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001228904404 1312018255 /nfs/dbraw/zinc/01/82/55/1312018255.db2.gz DDTYUUHQPJAWQM-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO C[NH+](C)CCC(=O)NC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC001229000044 1312034358 /nfs/dbraw/zinc/03/43/58/1312034358.db2.gz XQDSMSJXWZCCLB-SFHVURJKSA-N 1 3 349.906 2.860 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2ccsc2)CC1)N(C)C ZINC001229233749 1312065089 /nfs/dbraw/zinc/06/50/89/1312065089.db2.gz PGQRIUDLCYZSRI-KRWDZBQOSA-N 1 3 337.533 2.602 20 0 EFADHO Cc1nc(N(C)C)cc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC001162195281 1312065378 /nfs/dbraw/zinc/06/53/78/1312065378.db2.gz SLLYZRGXDBNDMD-QAQDUYKDSA-N 1 3 340.475 2.523 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC001229237255 1312065783 /nfs/dbraw/zinc/06/57/83/1312065783.db2.gz AMFPTKMKSPEETI-IAGOWNOFSA-N 1 3 337.533 2.649 20 0 EFADHO C[NH+](C)CC[C@H](c1ccc(-n2cnc(CN)c2)cc1)c1ccccn1 ZINC001162304511 1312084934 /nfs/dbraw/zinc/08/49/34/1312084934.db2.gz UTNJWDBTVPWMAP-LJQANCHMSA-N 1 3 335.455 2.810 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015386014 1312088660 /nfs/dbraw/zinc/08/86/60/1312088660.db2.gz GERPDPUHOLGXNX-PMACEKPBSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001015386014 1312088663 /nfs/dbraw/zinc/08/86/63/1312088663.db2.gz GERPDPUHOLGXNX-PMACEKPBSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015388294 1312089226 /nfs/dbraw/zinc/08/92/26/1312089226.db2.gz OYGFGVBTHAAPBE-MOPGFXCFSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCCC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390190 1312090904 /nfs/dbraw/zinc/09/09/04/1312090904.db2.gz BYNJQWMCFIIPEI-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCCC2CCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015390190 1312090907 /nfs/dbraw/zinc/09/09/07/1312090907.db2.gz BYNJQWMCFIIPEI-RBUKOAKNSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](Nc2nc(N3CCOCC3)cc3ccccc32)C1 ZINC001162395911 1312098072 /nfs/dbraw/zinc/09/80/72/1312098072.db2.gz WXIVZJCBEIJWJY-CVEARBPZSA-N 1 3 326.444 2.753 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](CCCCCF)CC1)N1CCCCCC1 ZINC001229461620 1312100625 /nfs/dbraw/zinc/10/06/25/1312100625.db2.gz BWSBZOSGJSQIFL-KRWDZBQOSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001162464885 1312108982 /nfs/dbraw/zinc/10/89/82/1312108982.db2.gz AAJPRDKXIFVSSJ-MDZRGWNJSA-N 1 3 342.487 2.648 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCN(C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902793995 1312113444 /nfs/dbraw/zinc/11/34/44/1312113444.db2.gz QGYOFRHDTWUPHG-CQSZACIVSA-N 1 3 344.425 2.779 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCN(C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902793995 1312113446 /nfs/dbraw/zinc/11/34/46/1312113446.db2.gz QGYOFRHDTWUPHG-CQSZACIVSA-N 1 3 344.425 2.779 20 0 EFADHO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3cccc([C@H](C)[NH+](C)C)c3)C[C@H]1N2C ZINC001229620283 1312120612 /nfs/dbraw/zinc/12/06/12/1312120612.db2.gz AZVKVHMHLKYXNT-KSYRLKCISA-N 1 3 346.471 2.855 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@]3(F)CCCC[NH2+]C3)cn2)CC1 ZINC001162581114 1312128962 /nfs/dbraw/zinc/12/89/62/1312128962.db2.gz YQDMCTBRFXTNRJ-IBGZPJMESA-N 1 3 349.498 2.506 20 0 EFADHO CCC(=O)C1(c2cccc(O[C@H](C)C[NH+](C)C)c2)CCN(C)CC1 ZINC001229734774 1312130166 /nfs/dbraw/zinc/13/01/66/1312130166.db2.gz CQSGHFAQAJQUSG-MRXNPFEDSA-N 1 3 332.488 2.958 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC001229860294 1312150595 /nfs/dbraw/zinc/15/05/95/1312150595.db2.gz QLKIZNAVPPQWRX-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497128 1312152374 /nfs/dbraw/zinc/15/23/74/1312152374.db2.gz AQLXLZIQIDUHNE-IEBWSBKVSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497128 1312152376 /nfs/dbraw/zinc/15/23/76/1312152376.db2.gz AQLXLZIQIDUHNE-IEBWSBKVSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497132 1312152420 /nfs/dbraw/zinc/15/24/20/1312152420.db2.gz AQLXLZIQIDUHNE-PKOBYXMFSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497132 1312152424 /nfs/dbraw/zinc/15/24/24/1312152424.db2.gz AQLXLZIQIDUHNE-PKOBYXMFSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001015497554 1312152465 /nfs/dbraw/zinc/15/24/65/1312152465.db2.gz FMNSRQSCHXJNET-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC001229877653 1312152985 /nfs/dbraw/zinc/15/29/85/1312152985.db2.gz VWQXBQZXCHUHTP-WOJBJXKFSA-N 1 3 345.531 2.978 20 0 EFADHO CC1CCC(C[N@@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001015498179 1312153432 /nfs/dbraw/zinc/15/34/32/1312153432.db2.gz IPQIHFKRTFFGJM-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCC(C[N@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)CC1 ZINC001015498179 1312153434 /nfs/dbraw/zinc/15/34/34/1312153434.db2.gz IPQIHFKRTFFGJM-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001229895261 1312155275 /nfs/dbraw/zinc/15/52/75/1312155275.db2.gz IGLLXNBZYGIPDU-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001229895261 1312155279 /nfs/dbraw/zinc/15/52/79/1312155279.db2.gz IGLLXNBZYGIPDU-UHFFFAOYSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001229895479 1312155345 /nfs/dbraw/zinc/15/53/45/1312155345.db2.gz KRYFZFKMMVCXLN-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001229895479 1312155348 /nfs/dbraw/zinc/15/53/48/1312155348.db2.gz KRYFZFKMMVCXLN-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001229908346 1312158338 /nfs/dbraw/zinc/15/83/38/1312158338.db2.gz IXNUTDUFJXPNEZ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@@H]2CCc3c2cccc3F)CC1 ZINC001229908346 1312158339 /nfs/dbraw/zinc/15/83/39/1312158339.db2.gz IXNUTDUFJXPNEZ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H](N)c1nc2ccccc2n1-c1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001162762797 1312170289 /nfs/dbraw/zinc/17/02/89/1312170289.db2.gz KYQXHHBVYSTHEO-UKRRQHHQSA-N 1 3 348.454 2.644 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001162766879 1312171611 /nfs/dbraw/zinc/17/16/11/1312171611.db2.gz RAIDKNPDMJGRJU-SWLSCSKDSA-N 1 3 347.426 2.512 20 0 EFADHO C[NH+](C)CCCCC(=O)NC1CCN(Cc2ccc(CF)cc2)CC1 ZINC001230090441 1312184872 /nfs/dbraw/zinc/18/48/72/1312184872.db2.gz KQVNRWDSKQSCIS-UHFFFAOYSA-N 1 3 349.494 2.969 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C1CC1)N(C)C ZINC001162832262 1312186439 /nfs/dbraw/zinc/18/64/39/1312186439.db2.gz MTRWNLZKXRJBGD-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)[C@H](C(C)C)N(C)C ZINC001162836431 1312187364 /nfs/dbraw/zinc/18/73/64/1312187364.db2.gz HYXFEDKRPJHLSI-FQEVSTJZSA-N 1 3 347.547 2.890 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCc2ccc(CC)cc2)CC1 ZINC001230113125 1312189127 /nfs/dbraw/zinc/18/91/27/1312189127.db2.gz SNCMKQLACBGGAQ-UHFFFAOYSA-N 1 3 345.531 2.714 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001230113138 1312189176 /nfs/dbraw/zinc/18/91/76/1312189176.db2.gz TVHOSWFSODIOOB-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC001230113067 1312189337 /nfs/dbraw/zinc/18/93/37/1312189337.db2.gz PLRPGIZDELGVFO-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001230113239 1312189499 /nfs/dbraw/zinc/18/94/99/1312189499.db2.gz YWJGHDCXFDDBNZ-IBGZPJMESA-N 1 3 329.488 2.596 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCCC4CCCC4)C[C@@H]3C2)CCC1 ZINC001048860126 1312203208 /nfs/dbraw/zinc/20/32/08/1312203208.db2.gz IBCYBOHLSUIDEL-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCCC4CCCC4)C[C@@H]3C2)CCC1 ZINC001048860126 1312203211 /nfs/dbraw/zinc/20/32/11/1312203211.db2.gz IBCYBOHLSUIDEL-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597215 1312205214 /nfs/dbraw/zinc/20/52/14/1312205214.db2.gz OPPJZPLHKQPMLX-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C)C2)C1 ZINC001015597215 1312205217 /nfs/dbraw/zinc/20/52/17/1312205217.db2.gz OPPJZPLHKQPMLX-VQTJNVASSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCC(C[N@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)CC1 ZINC001048864176 1312206259 /nfs/dbraw/zinc/20/62/59/1312206259.db2.gz SOQDQIPEYFWXSL-FUODXZFOSA-N 1 3 347.547 2.543 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)N(C)C)C[C@H]3C2)CC1 ZINC001048864176 1312206262 /nfs/dbraw/zinc/20/62/62/1312206262.db2.gz SOQDQIPEYFWXSL-FUODXZFOSA-N 1 3 347.547 2.543 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015608223 1312211281 /nfs/dbraw/zinc/21/12/81/1312211281.db2.gz OUNDFIRSOBYFEM-VDGAXYAQSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015608223 1312211284 /nfs/dbraw/zinc/21/12/84/1312211284.db2.gz OUNDFIRSOBYFEM-VDGAXYAQSA-N 1 3 343.515 2.670 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001162963274 1312212911 /nfs/dbraw/zinc/21/29/11/1312212911.db2.gz HTUYGVKKKJHKTD-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)c1 ZINC001230280115 1312214781 /nfs/dbraw/zinc/21/47/81/1312214781.db2.gz NYWLPKBURXRYPK-RTBURBONSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1F ZINC001230284816 1312215155 /nfs/dbraw/zinc/21/51/55/1312215155.db2.gz WBMFWVQZVYGJAZ-RTBURBONSA-N 1 3 349.494 2.991 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001230284959 1312215302 /nfs/dbraw/zinc/21/53/02/1312215302.db2.gz YZJWAYRRIHMOEL-BZUAXINKSA-N 1 3 345.478 2.779 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001230284958 1312215483 /nfs/dbraw/zinc/21/54/83/1312215483.db2.gz YZJWAYRRIHMOEL-ARFHVFGLSA-N 1 3 345.478 2.779 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cs1 ZINC001230284495 1312215608 /nfs/dbraw/zinc/21/56/08/1312215608.db2.gz HNVDWZXRSDPEAQ-IAGOWNOFSA-N 1 3 337.533 2.914 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048875639 1312215786 /nfs/dbraw/zinc/21/57/86/1312215786.db2.gz GBKYKZQLTNIGCE-FFGOWVMKSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001048875639 1312215790 /nfs/dbraw/zinc/21/57/90/1312215790.db2.gz GBKYKZQLTNIGCE-FFGOWVMKSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875813 1312216071 /nfs/dbraw/zinc/21/60/71/1312216071.db2.gz OTVMSNVYVHMGEM-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048875813 1312216073 /nfs/dbraw/zinc/21/60/73/1312216073.db2.gz OTVMSNVYVHMGEM-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001048876330 1312216131 /nfs/dbraw/zinc/21/61/31/1312216131.db2.gz UTLXCSQZSAWMFP-VWAQSERHSA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)CC3)C[C@@H]2C1)N(C)C ZINC001048876330 1312216134 /nfs/dbraw/zinc/21/61/34/1312216134.db2.gz UTLXCSQZSAWMFP-VWAQSERHSA-N 1 3 349.563 2.789 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)s1 ZINC001015616593 1312218288 /nfs/dbraw/zinc/21/82/88/1312218288.db2.gz URSFKKMPUUGLHB-QANKJYHBSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)s1 ZINC001015616593 1312218292 /nfs/dbraw/zinc/21/82/92/1312218292.db2.gz URSFKKMPUUGLHB-QANKJYHBSA-N 1 3 349.544 2.786 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001048890151 1312229872 /nfs/dbraw/zinc/22/98/72/1312229872.db2.gz FBOGZJFYXNJRLK-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001048890151 1312229876 /nfs/dbraw/zinc/22/98/76/1312229876.db2.gz FBOGZJFYXNJRLK-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC001230367009 1312230300 /nfs/dbraw/zinc/23/03/00/1312230300.db2.gz OIDSHKKLIZHQOV-OAHLLOKOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1)N(C)C ZINC001048891540 1312230561 /nfs/dbraw/zinc/23/05/61/1312230561.db2.gz PHCRHIDAKRNCQZ-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1)N(C)C ZINC001048891540 1312230565 /nfs/dbraw/zinc/23/05/65/1312230565.db2.gz PHCRHIDAKRNCQZ-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048891324 1312230645 /nfs/dbraw/zinc/23/06/45/1312230645.db2.gz OKGNIKMEPZPUHM-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)N(C)C ZINC001048891324 1312230647 /nfs/dbraw/zinc/23/06/47/1312230647.db2.gz OKGNIKMEPZPUHM-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230374087 1312231661 /nfs/dbraw/zinc/23/16/61/1312231661.db2.gz IMAYHVNBOYUIGH-KRWDZBQOSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H]1CCCCN1c1cccc(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001163087938 1312238236 /nfs/dbraw/zinc/23/82/36/1312238236.db2.gz VGWOIARDGYRIMH-HOTGVXAUSA-N 1 3 330.476 2.641 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C(F)F)nc2ccccc21 ZINC001163128330 1312246042 /nfs/dbraw/zinc/24/60/42/1312246042.db2.gz GAVRHPCXRWVNFP-UHFFFAOYSA-N 1 3 336.390 2.845 20 0 EFADHO CCc1nc(Cl)nc(Cl)c1NC(=[NH2+])NCCN(CC)CC ZINC001163129332 1312247114 /nfs/dbraw/zinc/24/71/14/1312247114.db2.gz KGNOTNOANMYZJY-UHFFFAOYSA-N 1 3 333.267 2.624 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)CC1 ZINC001015654056 1312250153 /nfs/dbraw/zinc/25/01/53/1312250153.db2.gz UMDKTZAYLNGIQQ-HXUWFJFHSA-N 1 3 341.499 2.596 20 0 EFADHO c1ccc([C@@H]2[NH2+]CC[C@H]2Nc2cncc([C@H]3CN4CCC3CC4)n2)cc1 ZINC001163211707 1312264977 /nfs/dbraw/zinc/26/49/77/1312264977.db2.gz MREOUSDALONSNP-UEXGIBASSA-N 1 3 349.482 2.801 20 0 EFADHO c1cc2c(s1)[C@@H](Nc1cncc([C@@H]3C[NH+]4CCC3CC4)n1)CNC2 ZINC001163227178 1312268524 /nfs/dbraw/zinc/26/85/24/1312268524.db2.gz RCBNGGGHVGHKCB-ZBFHGGJFSA-N 1 3 341.484 2.604 20 0 EFADHO [NH3+][C@@H]1CCN(Cc2cccc(N[C@H]3CNCc4ccsc43)c2)C1 ZINC001163229224 1312270286 /nfs/dbraw/zinc/27/02/86/1312270286.db2.gz HJPBVLFVZYUETO-WBVHZDCISA-N 1 3 328.485 2.538 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001230576364 1312271141 /nfs/dbraw/zinc/27/11/41/1312271141.db2.gz XFFSKTQSUKKFHI-KRWDZBQOSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001230576364 1312271145 /nfs/dbraw/zinc/27/11/45/1312271145.db2.gz XFFSKTQSUKKFHI-KRWDZBQOSA-N 1 3 341.515 2.779 20 0 EFADHO c1cc(CN2CCCCC2)cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163277401 1312280459 /nfs/dbraw/zinc/28/04/59/1312280459.db2.gz FSDMWVVVBJNODG-ICSRJNTNSA-N 1 3 344.503 2.638 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001230610455 1312282415 /nfs/dbraw/zinc/28/24/15/1312282415.db2.gz BEPYJRFXQJFTFO-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001230610455 1312282419 /nfs/dbraw/zinc/28/24/19/1312282419.db2.gz BEPYJRFXQJFTFO-IBGZPJMESA-N 1 3 335.536 2.997 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230610676 1312282722 /nfs/dbraw/zinc/28/27/22/1312282722.db2.gz GPQNGHRIWCXCRK-IVEQORNPSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230610676 1312282726 /nfs/dbraw/zinc/28/27/26/1312282726.db2.gz GPQNGHRIWCXCRK-IVEQORNPSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230611536 1312282882 /nfs/dbraw/zinc/28/28/82/1312282882.db2.gz UOHQEYSZGZSJQD-AEFFLSMTSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230611536 1312282886 /nfs/dbraw/zinc/28/28/86/1312282886.db2.gz UOHQEYSZGZSJQD-AEFFLSMTSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230610928 1312283494 /nfs/dbraw/zinc/28/34/94/1312283494.db2.gz KFRXKMXDSANIKO-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230610928 1312283498 /nfs/dbraw/zinc/28/34/98/1312283498.db2.gz KFRXKMXDSANIKO-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO Fc1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1CN1CCCC1 ZINC001163291395 1312283638 /nfs/dbraw/zinc/28/36/38/1312283638.db2.gz PSZOQQKRBGRTSL-UZLBHIALSA-N 1 3 347.478 2.992 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230617596 1312285011 /nfs/dbraw/zinc/28/50/11/1312285011.db2.gz DBOOYPSZLKEBLB-VWTAQGJOSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230617596 1312285013 /nfs/dbraw/zinc/28/50/13/1312285013.db2.gz DBOOYPSZLKEBLB-VWTAQGJOSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001230617824 1312285534 /nfs/dbraw/zinc/28/55/34/1312285534.db2.gz GGUXTPGJPSAJFL-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC=C(C)C)CC1 ZINC001230617824 1312285538 /nfs/dbraw/zinc/28/55/38/1312285538.db2.gz GGUXTPGJPSAJFL-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO COc1cccc([C@H](C[NH3+])Nc2ccc(CN(C)C3CC3)cn2)c1 ZINC001163313560 1312287398 /nfs/dbraw/zinc/28/73/98/1312287398.db2.gz PSZMINCCEBKIIZ-SFHVURJKSA-N 1 3 326.444 2.796 20 0 EFADHO c1cc2c(cc1CCNC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)OCCO2 ZINC000903058027 1312315646 /nfs/dbraw/zinc/31/56/46/1312315646.db2.gz NLSBTSGSXJNVIV-ZNXRZULTSA-N 1 3 328.456 2.748 20 0 EFADHO c1cc2c(cc1CCNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)OCCO2 ZINC000903058027 1312315650 /nfs/dbraw/zinc/31/56/50/1312315650.db2.gz NLSBTSGSXJNVIV-ZNXRZULTSA-N 1 3 328.456 2.748 20 0 EFADHO COC(=O)c1ccc([C@H]([NH3+])CNc2cc(N3CCCC3)ccn2)cc1 ZINC001163467330 1312319257 /nfs/dbraw/zinc/31/92/57/1312319257.db2.gz OPFKFCUWTMDOPS-QGZVFWFLSA-N 1 3 340.427 2.580 20 0 EFADHO CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)N1CCOCC1 ZINC000903066894 1312321683 /nfs/dbraw/zinc/32/16/83/1312321683.db2.gz MJMIIYUJNIKQEN-VCYXJBJXSA-N 1 3 349.563 2.871 20 0 EFADHO CCC(CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)N1CCOCC1 ZINC000903066894 1312321686 /nfs/dbraw/zinc/32/16/86/1312321686.db2.gz MJMIIYUJNIKQEN-VCYXJBJXSA-N 1 3 349.563 2.871 20 0 EFADHO CCCCC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783849 1312342329 /nfs/dbraw/zinc/34/23/29/1312342329.db2.gz SQHSJUBWKGKGGT-LJQANCHMSA-N 1 3 348.535 2.920 20 0 EFADHO CCCCC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783849 1312342333 /nfs/dbraw/zinc/34/23/33/1312342333.db2.gz SQHSJUBWKGKGGT-LJQANCHMSA-N 1 3 348.535 2.920 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](Cc1cccnc1)C[C@@H](C)CC)N(C)C ZINC001230783866 1312342573 /nfs/dbraw/zinc/34/25/73/1312342573.db2.gz UBQKVIWOXAYKHB-PKOBYXMFSA-N 1 3 348.535 2.776 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](Cc1cccnc1)C[C@@H](C)CC)N(C)C ZINC001230783866 1312342577 /nfs/dbraw/zinc/34/25/77/1312342577.db2.gz UBQKVIWOXAYKHB-PKOBYXMFSA-N 1 3 348.535 2.776 20 0 EFADHO CCCC[N@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230790076 1312344777 /nfs/dbraw/zinc/34/47/77/1312344777.db2.gz QVDBFGKXYGOTIU-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230790076 1312344781 /nfs/dbraw/zinc/34/47/81/1312344781.db2.gz QVDBFGKXYGOTIU-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCc2ccccc21 ZINC000903092128 1312347003 /nfs/dbraw/zinc/34/70/03/1312347003.db2.gz IAGSWQWUTFBKIL-VZKPYBMVSA-N 1 3 326.484 2.958 20 0 EFADHO O[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCc2ccccc21 ZINC000903092128 1312347006 /nfs/dbraw/zinc/34/70/06/1312347006.db2.gz IAGSWQWUTFBKIL-VZKPYBMVSA-N 1 3 326.484 2.958 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCCN(CC)Cc2cccnc2)C1 ZINC001230824781 1312359954 /nfs/dbraw/zinc/35/99/54/1312359954.db2.gz PNDZNRORTUIARB-IBGZPJMESA-N 1 3 346.519 2.532 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCCN(CC)Cc2cccnc2)C1 ZINC001230824781 1312359955 /nfs/dbraw/zinc/35/99/55/1312359955.db2.gz PNDZNRORTUIARB-IBGZPJMESA-N 1 3 346.519 2.532 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796665 1312366435 /nfs/dbraw/zinc/36/64/35/1312366435.db2.gz ZIMHFVFTEGHMDX-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796665 1312366439 /nfs/dbraw/zinc/36/64/39/1312366439.db2.gz ZIMHFVFTEGHMDX-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796662 1312366881 /nfs/dbraw/zinc/36/68/81/1312366881.db2.gz ZIMHFVFTEGHMDX-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1)N1CCCCCC1 ZINC001015796662 1312366886 /nfs/dbraw/zinc/36/68/86/1312366886.db2.gz ZIMHFVFTEGHMDX-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871790 1312375275 /nfs/dbraw/zinc/37/52/75/1312375275.db2.gz RTNTZRMNAANWRG-UHFFFAOYSA-N 1 3 334.508 2.532 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN(CC)CC)Cc1cccnc1 ZINC001230871790 1312375278 /nfs/dbraw/zinc/37/52/78/1312375278.db2.gz RTNTZRMNAANWRG-UHFFFAOYSA-N 1 3 334.508 2.532 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230905076 1312386697 /nfs/dbraw/zinc/38/66/97/1312386697.db2.gz AFQMKIWSIJJVSP-UHFFFAOYSA-N 1 3 334.508 2.532 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230905076 1312386700 /nfs/dbraw/zinc/38/67/00/1312386700.db2.gz AFQMKIWSIJJVSP-UHFFFAOYSA-N 1 3 334.508 2.532 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[N@@H+](Cc1cccnc1)CC1CCC1 ZINC001230932183 1312396121 /nfs/dbraw/zinc/39/61/21/1312396121.db2.gz OGJRTQXYZUGIRR-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[N@H+](Cc1cccnc1)CC1CCC1 ZINC001230932183 1312396125 /nfs/dbraw/zinc/39/61/25/1312396125.db2.gz OGJRTQXYZUGIRR-UHFFFAOYSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CC4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001049058623 1312412691 /nfs/dbraw/zinc/41/26/91/1312412691.db2.gz HDTLATJZXHOSRA-KPZODNFCSA-N 1 3 347.547 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CC4CCC(C)CC4)C[C@@H]3C2)C1 ZINC001049058623 1312412694 /nfs/dbraw/zinc/41/26/94/1312412694.db2.gz HDTLATJZXHOSRA-KPZODNFCSA-N 1 3 347.547 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@@H]2C1)N(C)C ZINC001049067172 1312419620 /nfs/dbraw/zinc/41/96/20/1312419620.db2.gz RBKWSXAYJSYVKJ-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@@H]2C1)N(C)C ZINC001049067172 1312419623 /nfs/dbraw/zinc/41/96/23/1312419623.db2.gz RBKWSXAYJSYVKJ-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082679 1312436175 /nfs/dbraw/zinc/43/61/75/1312436175.db2.gz LCTYLUSUPMTLPD-TVFCKZIOSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1CCC[C@H](CC[N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1 ZINC001049082679 1312436179 /nfs/dbraw/zinc/43/61/79/1312436179.db2.gz LCTYLUSUPMTLPD-TVFCKZIOSA-N 1 3 344.503 2.559 20 0 EFADHO COc1ccc([C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903184159 1312440544 /nfs/dbraw/zinc/44/05/44/1312440544.db2.gz ARJZJDNYRZPLQT-WELJNPPOSA-N 1 3 330.472 2.519 20 0 EFADHO COc1ccc([C@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903184159 1312440546 /nfs/dbraw/zinc/44/05/46/1312440546.db2.gz ARJZJDNYRZPLQT-WELJNPPOSA-N 1 3 330.472 2.519 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049096875 1312452697 /nfs/dbraw/zinc/45/26/97/1312452697.db2.gz BQBZTCPZWAHYQB-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001049096875 1312452701 /nfs/dbraw/zinc/45/27/01/1312452701.db2.gz BQBZTCPZWAHYQB-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(=O)Nc1cc(C)c(C)cc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164212914 1312469030 /nfs/dbraw/zinc/46/90/30/1312469030.db2.gz KGZLJDHJKHFRRB-UHFFFAOYSA-N 1 3 332.492 2.700 20 0 EFADHO COC(=O)C(C)(C)c1ccc(NCC2(N(C)C)CC[NH+](C)CC2)cc1 ZINC001164211210 1312469504 /nfs/dbraw/zinc/46/95/04/1312469504.db2.gz LCQIGNNVQMGXBR-UHFFFAOYSA-N 1 3 347.503 2.575 20 0 EFADHO COc1cccc2c(NCC3(N(C)C)CC[NH+](C)CC3)ccnc12 ZINC001164216893 1312470612 /nfs/dbraw/zinc/47/06/12/1312470612.db2.gz LUKBRQONVUTEPX-UHFFFAOYSA-N 1 3 328.460 2.681 20 0 EFADHO CCOC(=O)c1cccc(NCC2(N(C)C)CC[NH+](C)CC2)c1C ZINC001164217183 1312470772 /nfs/dbraw/zinc/47/07/72/1312470772.db2.gz QZWJFESHQQWTNL-UHFFFAOYSA-N 1 3 333.476 2.610 20 0 EFADHO Cc1nc(OCC(C)C)ccc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001164217588 1312470885 /nfs/dbraw/zinc/47/08/85/1312470885.db2.gz YEOZBAVWDAKTSC-UHFFFAOYSA-N 1 3 334.508 2.863 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCCN(CCn1ccnc1)C2 ZINC001277544755 1312536725 /nfs/dbraw/zinc/53/67/25/1312536725.db2.gz QIQZLLXDWJMYQU-SFHVURJKSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCCN(CCn1ccnc1)C2 ZINC001277544755 1312536730 /nfs/dbraw/zinc/53/67/30/1312536730.db2.gz QIQZLLXDWJMYQU-SFHVURJKSA-N 1 3 345.516 2.636 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(CCCOC)CC2)nc1 ZINC001165098106 1312567899 /nfs/dbraw/zinc/56/78/99/1312567899.db2.gz ROXGBVJMQNOEPK-LJQANCHMSA-N 1 3 346.519 2.787 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCN(CCCOC)CC2)nc1 ZINC001165098106 1312567902 /nfs/dbraw/zinc/56/79/02/1312567902.db2.gz ROXGBVJMQNOEPK-LJQANCHMSA-N 1 3 346.519 2.787 20 0 EFADHO CN(Cc1ccc(N2C[C@@H]3C[NH2+]C[C@]3(c3ccccc3)C2)nc1)C1CC1 ZINC001165167597 1312580358 /nfs/dbraw/zinc/58/03/58/1312580358.db2.gz DKKKVXOQVLABIX-SIKLNZKXSA-N 1 3 348.494 2.653 20 0 EFADHO CCN1CCN(Cc2ccc(NC=CC3CC[NH2+]CC3)cc2)CC1 ZINC001165213254 1312587844 /nfs/dbraw/zinc/58/78/44/1312587844.db2.gz RDKOZIDLFHNATD-XFXZXTDPSA-N 1 3 328.504 2.749 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNc2nc(CN)ccc2NC(=O)C(C)(C)C)C1 ZINC001165260453 1312597235 /nfs/dbraw/zinc/59/72/35/1312597235.db2.gz FPUDEAWXEWKSBH-CQSZACIVSA-N 1 3 347.507 2.669 20 0 EFADHO C[N@H+]1CCC[C@H](CCNc2nc(CN)ccc2NC(=O)C(C)(C)C)C1 ZINC001165260453 1312597238 /nfs/dbraw/zinc/59/72/38/1312597238.db2.gz FPUDEAWXEWKSBH-CQSZACIVSA-N 1 3 347.507 2.669 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231783 1312606306 /nfs/dbraw/zinc/60/63/06/1312606306.db2.gz KYLQZKYMUWEZOF-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049231783 1312606310 /nfs/dbraw/zinc/60/63/10/1312606310.db2.gz KYLQZKYMUWEZOF-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232371 1312607066 /nfs/dbraw/zinc/60/70/66/1312607066.db2.gz UMMUXGCDVLEBDM-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232371 1312607069 /nfs/dbraw/zinc/60/70/69/1312607069.db2.gz UMMUXGCDVLEBDM-QGZVKYPTSA-N 1 3 347.547 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049232954 1312607703 /nfs/dbraw/zinc/60/77/03/1312607703.db2.gz GEZABRANTGQBOO-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]2C1 ZINC001049232954 1312607704 /nfs/dbraw/zinc/60/77/04/1312607704.db2.gz GEZABRANTGQBOO-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH+]1CCC(CN(C)Cc2cn(C)nc2C(F)(F)F)CC1 ZINC001232086948 1312620514 /nfs/dbraw/zinc/62/05/14/1312620514.db2.gz LHIYQEZLEAJMQX-UHFFFAOYSA-N 1 3 332.414 2.991 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]Cc3ccsc3)CC2)CCC1 ZINC001165464633 1312634198 /nfs/dbraw/zinc/63/41/98/1312634198.db2.gz IJLGHXFCRXWFNE-UHFFFAOYSA-N 1 3 335.517 2.609 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001165485091 1312636154 /nfs/dbraw/zinc/63/61/54/1312636154.db2.gz LNCXYXVKTHRVJM-GOSISDBHSA-N 1 3 335.536 2.783 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)C1CC1 ZINC001165485292 1312636834 /nfs/dbraw/zinc/63/68/34/1312636834.db2.gz REZWVQNLCZNVDC-SFHVURJKSA-N 1 3 347.478 2.542 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1)C1CC1 ZINC001165485215 1312637111 /nfs/dbraw/zinc/63/71/11/1312637111.db2.gz PDNPYWRNOXJHHV-GOSISDBHSA-N 1 3 335.536 2.783 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)C1CCC1 ZINC001165492575 1312638127 /nfs/dbraw/zinc/63/81/27/1312638127.db2.gz VCTCTEMEHUMPTO-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3nccc4ccccc43)CC2)CC1 ZINC001232249226 1312656763 /nfs/dbraw/zinc/65/67/63/1312656763.db2.gz JIEFPGRHMIXIBC-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864241 1314431045 /nfs/dbraw/zinc/43/10/45/1314431045.db2.gz CYNKPHFYQWMWPC-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)C1 ZINC001052864241 1314431048 /nfs/dbraw/zinc/43/10/48/1314431048.db2.gz CYNKPHFYQWMWPC-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CCCC2CCC2)CC1 ZINC001052898994 1314459446 /nfs/dbraw/zinc/45/94/46/1314459446.db2.gz LEEJVRGEBJEREB-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001052898994 1314459447 /nfs/dbraw/zinc/45/94/47/1314459447.db2.gz LEEJVRGEBJEREB-QGZVFWFLSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001052898562 1314459662 /nfs/dbraw/zinc/45/96/62/1314459662.db2.gz DOLYCGIOJFOROG-AEFFLSMTSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001052898562 1314459664 /nfs/dbraw/zinc/45/96/64/1314459664.db2.gz DOLYCGIOJFOROG-AEFFLSMTSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC001052898563 1314460170 /nfs/dbraw/zinc/46/01/70/1314460170.db2.gz DOLYCGIOJFOROG-FUHWJXTLSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001052898563 1314460171 /nfs/dbraw/zinc/46/01/71/1314460171.db2.gz DOLYCGIOJFOROG-FUHWJXTLSA-N 1 3 340.471 2.993 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](NCC=C(Cl)Cl)C1 ZINC001211241419 1314462530 /nfs/dbraw/zinc/46/25/30/1314462530.db2.gz UTTDNRLCEFEYFE-CQSZACIVSA-N 1 3 348.318 2.762 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211247927 1314463461 /nfs/dbraw/zinc/46/34/61/1314463461.db2.gz CKFACWVEEBBUIG-IAGOWNOFSA-N 1 3 335.467 2.691 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211268083 1314467057 /nfs/dbraw/zinc/46/70/57/1314467057.db2.gz GUOFBWDECOIWCA-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211276903 1314468151 /nfs/dbraw/zinc/46/81/51/1314468151.db2.gz KBJUZRKGNHLELC-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001211279119 1314468212 /nfs/dbraw/zinc/46/82/12/1314468212.db2.gz VYHVOTRXJRVAAD-PKOBYXMFSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001211283604 1314469182 /nfs/dbraw/zinc/46/91/82/1314469182.db2.gz HGTVGEGJOIEEBK-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001211287148 1314469864 /nfs/dbraw/zinc/46/98/64/1314469864.db2.gz ZXVXLINGLFGSGY-KXBFYZLASA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001211286084 1314469916 /nfs/dbraw/zinc/46/99/16/1314469916.db2.gz SSNGUYRUHGIEHE-KRWDZBQOSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N1CCCC1 ZINC001211376653 1314488276 /nfs/dbraw/zinc/48/82/76/1314488276.db2.gz NAFYEQFWDGSBMN-KZNAEPCWSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N1CCCC1 ZINC001211376653 1314488280 /nfs/dbraw/zinc/48/82/80/1314488280.db2.gz NAFYEQFWDGSBMN-KZNAEPCWSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933146 1314492515 /nfs/dbraw/zinc/49/25/15/1314492515.db2.gz WJPNIWDHDHGMBI-AEFFLSMTSA-N 1 3 349.906 2.762 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC001052933146 1314492517 /nfs/dbraw/zinc/49/25/17/1314492517.db2.gz WJPNIWDHDHGMBI-AEFFLSMTSA-N 1 3 349.906 2.762 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281194808 1314500713 /nfs/dbraw/zinc/50/07/13/1314500713.db2.gz IPHYRBOPIJMSIZ-MSOLQXFVSA-N 1 3 345.487 2.575 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281194808 1314500718 /nfs/dbraw/zinc/50/07/18/1314500718.db2.gz IPHYRBOPIJMSIZ-MSOLQXFVSA-N 1 3 345.487 2.575 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)c1 ZINC001052954542 1314513641 /nfs/dbraw/zinc/51/36/41/1314513641.db2.gz OVMPRWGHLZVNNX-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](CCCF)CC2)c1 ZINC001052954542 1314513645 /nfs/dbraw/zinc/51/36/45/1314513645.db2.gz OVMPRWGHLZVNNX-GOSISDBHSA-N 1 3 335.467 2.692 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001019820456 1314515662 /nfs/dbraw/zinc/51/56/62/1314515662.db2.gz KYXAMPFXVGDFMJ-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001019820596 1314515997 /nfs/dbraw/zinc/51/59/97/1314515997.db2.gz QDVFIKVTOZEXSF-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001019820529 1314516184 /nfs/dbraw/zinc/51/61/84/1314516184.db2.gz OBPSSVOFEBEHGH-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001019820529 1314516188 /nfs/dbraw/zinc/51/61/88/1314516188.db2.gz OBPSSVOFEBEHGH-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC[C@H](C)F)CC1 ZINC001052985201 1314542640 /nfs/dbraw/zinc/54/26/40/1314542640.db2.gz BCAXDGKSEJYWCR-RYQLBKOJSA-N 1 3 339.499 2.674 20 0 EFADHO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCC2)CC1 ZINC001052985711 1314542797 /nfs/dbraw/zinc/54/27/97/1314542797.db2.gz ZJFGPZUTXFOSKQ-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO O=C(C1CCC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCC2)CC1 ZINC001052985711 1314542801 /nfs/dbraw/zinc/54/28/01/1314542801.db2.gz ZJFGPZUTXFOSKQ-BGYRXZFFSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1C[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052991179 1314547130 /nfs/dbraw/zinc/54/71/30/1314547130.db2.gz XFNKVYNTRIEBPT-LWCVALJOSA-N 1 3 345.531 2.582 20 0 EFADHO CCCCCCN1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434406 1314554093 /nfs/dbraw/zinc/55/40/93/1314554093.db2.gz AOQKJXNIUWPPNA-FGTMMUONSA-N 1 3 341.540 2.503 20 0 EFADHO C[C@@H]1CC[C@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001245970258 1314557315 /nfs/dbraw/zinc/55/73/15/1314557315.db2.gz BPMRTZZCXGMBEC-NUJGCVRESA-N 1 3 334.504 2.702 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@H]2CCCC[NH2+]C2)cc1 ZINC001245982074 1314558811 /nfs/dbraw/zinc/55/88/11/1314558811.db2.gz JUELXRXYOYRUNP-WMZOPIPTSA-N 1 3 334.504 2.703 20 0 EFADHO O[C@H](CNC[C@]12CCC[C@H]1C[NH2+]C2)COc1cccc2ccccc21 ZINC001245984081 1314558847 /nfs/dbraw/zinc/55/88/47/1314558847.db2.gz HOPGZGGOZDXNGE-WAOWUJCRSA-N 1 3 340.467 2.559 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982999 1314559386 /nfs/dbraw/zinc/55/93/86/1314559386.db2.gz KPULYEFZMQGKJF-DJABAAGCSA-N 1 3 346.515 2.702 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CCCC[NH2+]C2)cc1 ZINC001245982068 1314559453 /nfs/dbraw/zinc/55/94/53/1314559453.db2.gz JUELXRXYOYRUNP-AEFFLSMTSA-N 1 3 334.504 2.703 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245986791 1314559683 /nfs/dbraw/zinc/55/96/83/1314559683.db2.gz ZMZULRLRPBNVOG-HHXXYDBFSA-N 1 3 334.504 2.702 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245986792 1314559821 /nfs/dbraw/zinc/55/98/21/1314559821.db2.gz ZMZULRLRPBNVOG-SUMDDJOVSA-N 1 3 334.504 2.702 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245985477 1314560197 /nfs/dbraw/zinc/56/01/97/1314560197.db2.gz UDRWKYPSQRIIMW-BQFCYCMXSA-N 1 3 334.504 2.702 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CNC[C@]12CCC[C@H]1C[NH2+]C2 ZINC001245989145 1314560706 /nfs/dbraw/zinc/56/07/06/1314560706.db2.gz YIXUZCDIRDGWAW-YDZRNGNQSA-N 1 3 326.525 2.560 20 0 EFADHO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001245993297 1314561865 /nfs/dbraw/zinc/56/18/65/1314561865.db2.gz LUQUUNJXTQLCCB-YSIASYRMSA-N 1 3 342.483 2.591 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245993231 1314561873 /nfs/dbraw/zinc/56/18/73/1314561873.db2.gz NGBQGLTURKBSMN-OTWHNJEPSA-N 1 3 328.541 2.950 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2ccc(F)cc2)CCC1 ZINC001245998738 1314562194 /nfs/dbraw/zinc/56/21/94/1314562194.db2.gz HXXNOQFNWHXQOW-VQTJNVASSA-N 1 3 342.458 2.811 20 0 EFADHO [NH3+][C@H]1CCCN(C[C@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001246014447 1314565907 /nfs/dbraw/zinc/56/59/07/1314565907.db2.gz BQMYUBWIWQSVDP-STQMWFEESA-N 1 3 347.286 2.684 20 0 EFADHO C[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246022165 1314567592 /nfs/dbraw/zinc/56/75/92/1314567592.db2.gz PSCGARZPGXNJIJ-QTJFZDIUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001246022165 1314567595 /nfs/dbraw/zinc/56/75/95/1314567595.db2.gz PSCGARZPGXNJIJ-QTJFZDIUSA-N 1 3 346.421 2.815 20 0 EFADHO C[C@@H]1CC[C@H](C[NH3+])CN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246034407 1314570728 /nfs/dbraw/zinc/57/07/28/1314570728.db2.gz NLGVWGUWKHIJNC-JFIYKMOQSA-N 1 3 334.504 2.783 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246033735 1314571394 /nfs/dbraw/zinc/57/13/94/1314571394.db2.gz OTELZJYJBUUGDG-MSOLQXFVSA-N 1 3 326.525 2.798 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246033735 1314571399 /nfs/dbraw/zinc/57/13/99/1314571399.db2.gz OTELZJYJBUUGDG-MSOLQXFVSA-N 1 3 326.525 2.798 20 0 EFADHO Cc1cccc(CC[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001246044081 1314572462 /nfs/dbraw/zinc/57/24/62/1314572462.db2.gz IFSIGWGSZNPRAM-VQTJNVASSA-N 1 3 348.437 2.678 20 0 EFADHO Cc1cccc(CC[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001246044081 1314572467 /nfs/dbraw/zinc/57/24/67/1314572467.db2.gz IFSIGWGSZNPRAM-VQTJNVASSA-N 1 3 348.437 2.678 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001246045366 1314573321 /nfs/dbraw/zinc/57/33/21/1314573321.db2.gz UISHEQYJFHFKEH-FDFHNCONSA-N 1 3 338.495 2.872 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001246045366 1314573324 /nfs/dbraw/zinc/57/33/24/1314573324.db2.gz UISHEQYJFHFKEH-FDFHNCONSA-N 1 3 338.495 2.872 20 0 EFADHO O[C@@]1(C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)CCCNC1 ZINC001246052893 1314575235 /nfs/dbraw/zinc/57/52/35/1314575235.db2.gz DQHZMXKFDFSOEY-SFHVURJKSA-N 1 3 340.870 2.848 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1C ZINC001246060708 1314577566 /nfs/dbraw/zinc/57/75/66/1314577566.db2.gz CYORGGOYJNLAFC-VQTJNVASSA-N 1 3 348.437 2.944 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)cc1C ZINC001246060708 1314577571 /nfs/dbraw/zinc/57/75/71/1314577571.db2.gz CYORGGOYJNLAFC-VQTJNVASSA-N 1 3 348.437 2.944 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](C[C@]3(O)CCCNC3)C2)cc1 ZINC001246065114 1314577932 /nfs/dbraw/zinc/57/79/32/1314577932.db2.gz ODGSIWGPFBGTIO-XLIONFOSSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CC[N@@H+](C[C@]3(O)CCCNC3)C2)cc1 ZINC001246065114 1314577937 /nfs/dbraw/zinc/57/79/37/1314577937.db2.gz ODGSIWGPFBGTIO-XLIONFOSSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@@H]2CCN(C[C@]3(O)CCC[NH2+]C3)C2)cc1 ZINC001246065114 1314577942 /nfs/dbraw/zinc/57/79/42/1314577942.db2.gz ODGSIWGPFBGTIO-XLIONFOSSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC001246070468 1314579806 /nfs/dbraw/zinc/57/98/06/1314579806.db2.gz RGPYBCBFOYTPLD-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCNCC1 ZINC001246070468 1314579810 /nfs/dbraw/zinc/57/98/10/1314579810.db2.gz RGPYBCBFOYTPLD-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)CN(C[C@@H](O)COc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246070468 1314579814 /nfs/dbraw/zinc/57/98/14/1314579814.db2.gz RGPYBCBFOYTPLD-QGZVFWFLSA-N 1 3 338.467 2.666 20 0 EFADHO COc1cccc(OC)c1CN1CCC(NCC2([NH3+])CCCC2)CC1 ZINC001246077040 1314580567 /nfs/dbraw/zinc/58/05/67/1314580567.db2.gz SRBHFIDQEDVXNH-UHFFFAOYSA-N 1 3 347.503 2.529 20 0 EFADHO C[C@H](Cc1ccc(OC(F)(F)F)cc1)NC[C@]1(O)CCCC[NH2+]C1 ZINC001246100172 1314582508 /nfs/dbraw/zinc/58/25/08/1314582508.db2.gz VXPGIDMZTMPLOS-CJNGLKHVSA-N 1 3 346.393 2.610 20 0 EFADHO O[C@]1(CN[C@H]2CCc3cc(Cl)cc(Cl)c3C2)CCCC[NH2+]C1 ZINC001246094945 1314582649 /nfs/dbraw/zinc/58/26/49/1314582649.db2.gz HKUQROPNGNRGAZ-WMLDXEAASA-N 1 3 343.298 2.945 20 0 EFADHO COc1ccc(Br)c(CCN[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC001246108090 1314583619 /nfs/dbraw/zinc/58/36/19/1314583619.db2.gz KLKCTFUNDHBRFB-AAEUAGOBSA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)c(CC[NH2+][C@H]2CCN[C@@H](C)C2)c1 ZINC001246108090 1314583622 /nfs/dbraw/zinc/58/36/22/1314583622.db2.gz KLKCTFUNDHBRFB-AAEUAGOBSA-N 1 3 327.266 2.730 20 0 EFADHO F[C@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246106365 1314583689 /nfs/dbraw/zinc/58/36/89/1314583689.db2.gz FSWZZIQGWRTVHK-KNJMJIDISA-N 1 3 331.479 2.862 20 0 EFADHO F[C@H]1CNCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246106365 1314583694 /nfs/dbraw/zinc/58/36/94/1314583694.db2.gz FSWZZIQGWRTVHK-KNJMJIDISA-N 1 3 331.479 2.862 20 0 EFADHO Clc1cc2c(cc1Cl)C[C@H](NC[C@]13C[NH2+]C[C@H]1COC3)CC2 ZINC001246134848 1314587937 /nfs/dbraw/zinc/58/79/37/1314587937.db2.gz OHTRKQOPNURAQG-VBQJREDUSA-N 1 3 341.282 2.676 20 0 EFADHO c1ccc2c(c1)CCC21CCC(N[C@@H]2COCCC23C[NH2+]C3)CC1 ZINC001246140129 1314588704 /nfs/dbraw/zinc/58/87/04/1314588704.db2.gz ZCANSVKFNNZEFQ-SKINQDTJSA-N 1 3 326.484 2.781 20 0 EFADHO c1ccc2c(c1)CCC21CCC([NH2+][C@@H]2COCCC23CNC3)CC1 ZINC001246140129 1314588707 /nfs/dbraw/zinc/58/87/07/1314588707.db2.gz ZCANSVKFNNZEFQ-SKINQDTJSA-N 1 3 326.484 2.781 20 0 EFADHO COc1ccc2cc(CC[C@H](C)N[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2c1 ZINC001246148661 1314590180 /nfs/dbraw/zinc/59/01/80/1314590180.db2.gz OXOPAQFAAMGEKR-MYDCNYLUSA-N 1 3 340.467 2.746 20 0 EFADHO CC[C@H]1CC(NCC2(N3CCOCC3)CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246171021 1314592461 /nfs/dbraw/zinc/59/24/61/1314592461.db2.gz PKPWZIZGTRXFNS-ROUUACIJSA-N 1 3 337.552 2.920 20 0 EFADHO CCCC[C@H]1C[C@@H](NCc2ccccc2N2CCN(C)CC2)CC[NH2+]1 ZINC001246181382 1314593871 /nfs/dbraw/zinc/59/38/71/1314593871.db2.gz NSLFKKBUENJUCU-PMACEKPBSA-N 1 3 344.547 2.839 20 0 EFADHO CCCC[C@H]1C[C@H](NCc2ccccc2N2CCN(C)CC2)CC[NH2+]1 ZINC001246181386 1314594301 /nfs/dbraw/zinc/59/43/01/1314594301.db2.gz NSLFKKBUENJUCU-VQTJNVASSA-N 1 3 344.547 2.839 20 0 EFADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1N[C@H](C)Cc1ccc(F)cc1Cl ZINC001246198746 1314596586 /nfs/dbraw/zinc/59/65/86/1314596586.db2.gz FMTSGYMOCVJZMT-DJSGYFEHSA-N 1 3 342.842 2.541 20 0 EFADHO C[C@]1(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CCNCC1(F)F ZINC001246223528 1314599659 /nfs/dbraw/zinc/59/96/59/1314599659.db2.gz WIVIQKGVVVCHOI-RCCFBDPRSA-N 1 3 337.458 2.574 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029639 1314602722 /nfs/dbraw/zinc/60/27/22/1314602722.db2.gz USIUDGRRISTDHZ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029639 1314602726 /nfs/dbraw/zinc/60/27/26/1314602726.db2.gz USIUDGRRISTDHZ-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001053029922 1314602979 /nfs/dbraw/zinc/60/29/79/1314602979.db2.gz YHNXWJUUFLKWCC-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001053029922 1314602986 /nfs/dbraw/zinc/60/29/86/1314602986.db2.gz YHNXWJUUFLKWCC-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029805 1314603863 /nfs/dbraw/zinc/60/38/63/1314603863.db2.gz WDFNNZWIACRFDP-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053029805 1314603868 /nfs/dbraw/zinc/60/38/68/1314603868.db2.gz WDFNNZWIACRFDP-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3cc(F)ccc3N)CC2)C1 ZINC001276705658 1314610361 /nfs/dbraw/zinc/61/03/61/1314610361.db2.gz LPUPBPMSJDULAK-UHFFFAOYSA-N 1 3 348.510 2.648 20 0 EFADHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3cc(F)ccc3N)CC2)C1 ZINC001276705658 1314610364 /nfs/dbraw/zinc/61/03/64/1314610364.db2.gz LPUPBPMSJDULAK-UHFFFAOYSA-N 1 3 348.510 2.648 20 0 EFADHO FC1(F)CCCN(CC[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C1 ZINC001246344167 1314613687 /nfs/dbraw/zinc/61/36/87/1314613687.db2.gz XYMVHBVMMALZNT-MSOLQXFVSA-N 1 3 337.458 2.670 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)CCN1 ZINC001246357581 1314615102 /nfs/dbraw/zinc/61/51/02/1314615102.db2.gz BFTNKPBXEQZIOF-IUODEOHRSA-N 1 3 341.421 2.798 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3c(F)cc(F)cc3F)CC2)CCN1 ZINC001246356955 1314615240 /nfs/dbraw/zinc/61/52/40/1314615240.db2.gz XMQAFSDMJSGMSA-SWLSCSKDSA-N 1 3 341.421 2.798 20 0 EFADHO COc1cccc(CC2(C[NH2+][C@@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246365078 1314616061 /nfs/dbraw/zinc/61/60/61/1314616061.db2.gz CYLIEJLJEXQKBO-SJLPKXTDSA-N 1 3 332.488 2.765 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041446 1314622671 /nfs/dbraw/zinc/62/26/71/1314622671.db2.gz ZWJIMXDDLZBTJZ-DLBZAZTESA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041446 1314622677 /nfs/dbraw/zinc/62/26/77/1314622677.db2.gz ZWJIMXDDLZBTJZ-DLBZAZTESA-N 1 3 332.492 2.703 20 0 EFADHO COc1ccc(CC2(C[NH2+][C@@H]3CCN[C@@H](C)C3)CCOCC2)cc1 ZINC001246404553 1314624272 /nfs/dbraw/zinc/62/42/72/1314624272.db2.gz IBMJALBARPUIEE-FUHWJXTLSA-N 1 3 332.488 2.765 20 0 EFADHO COc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246408207 1314625019 /nfs/dbraw/zinc/62/50/19/1314625019.db2.gz BWABGNBRFCEWFT-FUHWJXTLSA-N 1 3 332.488 2.765 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046033 1314629542 /nfs/dbraw/zinc/62/95/42/1314629542.db2.gz GXXTYETXUQROAZ-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046033 1314629548 /nfs/dbraw/zinc/62/95/48/1314629548.db2.gz GXXTYETXUQROAZ-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO Clc1ccc(-c2nc(CN[C@H]3CCNC4(C[NH2+]C4)C3)cs2)cc1 ZINC001246478467 1314634217 /nfs/dbraw/zinc/63/42/17/1314634217.db2.gz OAYZZVZWPPGXAY-AWEZNQCLSA-N 1 3 348.903 2.647 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246482659 1314634829 /nfs/dbraw/zinc/63/48/29/1314634829.db2.gz HOXGLCGQQBCOPT-RDJZCZTQSA-N 1 3 348.487 2.680 20 0 EFADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246488655 1314635720 /nfs/dbraw/zinc/63/57/20/1314635720.db2.gz NZMJHSLJRBBCCH-KZNAEPCWSA-N 1 3 337.458 2.574 20 0 EFADHO O=C(OC1CCC([NH2+][C@H](C2CC2)C2CNC2)CC1)c1ccccc1 ZINC001246513833 1314640635 /nfs/dbraw/zinc/64/06/35/1314640635.db2.gz FAAQWLFNADQCOD-CTWPCTMYSA-N 1 3 328.456 2.742 20 0 EFADHO C[C@@H](CCc1ccc(Br)cc1)N1CCO[C@H](CC[NH3+])C1 ZINC001246535999 1314643859 /nfs/dbraw/zinc/64/38/59/1314643859.db2.gz RIFGHNRQZFXQBC-XJKSGUPXSA-N 1 3 341.293 2.820 20 0 EFADHO C[C@H](CCc1ccc(Br)cc1)N1CCO[C@@H](CC[NH3+])C1 ZINC001246535997 1314643936 /nfs/dbraw/zinc/64/39/36/1314643936.db2.gz RIFGHNRQZFXQBC-CJNGLKHVSA-N 1 3 341.293 2.820 20 0 EFADHO C[C@H](CCc1ccc(Br)cc1)N1CCO[C@H](CC[NH3+])C1 ZINC001246535998 1314644208 /nfs/dbraw/zinc/64/42/08/1314644208.db2.gz RIFGHNRQZFXQBC-CZUORRHYSA-N 1 3 341.293 2.820 20 0 EFADHO COc1ccc(C(=O)N2CCC(N3CCC[C@@](C)([NH3+])CC3)CC2)cc1 ZINC001246547341 1314645447 /nfs/dbraw/zinc/64/54/47/1314645447.db2.gz CPEFHIGHZANASA-HXUWFJFHSA-N 1 3 345.487 2.503 20 0 EFADHO COc1ccc2cc(CC[C@@H](C)N3CC[C@@H]([NH3+])[C@H](O)C3)ccc2c1 ZINC001246557802 1314647830 /nfs/dbraw/zinc/64/78/30/1314647830.db2.gz HZMUWSIBWMNDSX-JSNMRZPZSA-N 1 3 328.456 2.563 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001020172958 1314648978 /nfs/dbraw/zinc/64/89/78/1314648978.db2.gz LHFPKYBJGMMCFK-CEEVZKBLSA-N 1 3 349.906 2.978 20 0 EFADHO C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001020172958 1314648984 /nfs/dbraw/zinc/64/89/84/1314648984.db2.gz LHFPKYBJGMMCFK-CEEVZKBLSA-N 1 3 349.906 2.978 20 0 EFADHO C[C@]1(CN)CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587941 1314652218 /nfs/dbraw/zinc/65/22/18/1314652218.db2.gz WXVAXXBRKQBRNP-UYAOXDASSA-N 1 3 329.488 2.742 20 0 EFADHO C[C@]1(CN)CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587941 1314652222 /nfs/dbraw/zinc/65/22/22/1314652222.db2.gz WXVAXXBRKQBRNP-UYAOXDASSA-N 1 3 329.488 2.742 20 0 EFADHO CC1(C[NH3+])CN([C@@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246588844 1314652309 /nfs/dbraw/zinc/65/23/09/1314652309.db2.gz LKFFMOFXVGAGGC-GBESFXJTSA-N 1 3 341.499 2.598 20 0 EFADHO [NH3+]C[C@]1(F)CCCCN([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246585087 1314652626 /nfs/dbraw/zinc/65/26/26/1314652626.db2.gz YQGVKPXVRZINMF-AZUAARDMSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCNC2(CC[NH2+]CC2)C1 ZINC001246592326 1314653279 /nfs/dbraw/zinc/65/32/79/1314653279.db2.gz AHKULGPSDSLVQA-CQSZACIVSA-N 1 3 341.421 2.664 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]1CNCCC2 ZINC001246596115 1314654275 /nfs/dbraw/zinc/65/42/75/1314654275.db2.gz OVUHYPHOZOKHCR-CUWPLCDZSA-N 1 3 344.499 2.791 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(C)cc3)C[C@@H]1CNCCC2 ZINC001246596115 1314654279 /nfs/dbraw/zinc/65/42/79/1314654279.db2.gz OVUHYPHOZOKHCR-CUWPLCDZSA-N 1 3 344.499 2.791 20 0 EFADHO CCOC(=O)[C@@H]1CC2(CN1[C@H](C)Cc1ccc(C)cc1)CC[NH2+]CC2 ZINC001246604600 1314655985 /nfs/dbraw/zinc/65/59/85/1314655985.db2.gz ROZPKXXKTWUALR-MJGOQNOKSA-N 1 3 344.499 2.933 20 0 EFADHO CCCCCC(CCCCC)[N@@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624050 1314658865 /nfs/dbraw/zinc/65/88/65/1314658865.db2.gz DIRDWIMMWBJCPI-FQEVSTJZSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC(CCCCC)[N@H+]1CC2(CNC2)[C@@]2(CCNC2=O)C1 ZINC001246624050 1314658868 /nfs/dbraw/zinc/65/88/68/1314658868.db2.gz DIRDWIMMWBJCPI-FQEVSTJZSA-N 1 3 335.536 2.927 20 0 EFADHO CC(C)C[C@@H](Cc1ccccc1)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653076 1314664022 /nfs/dbraw/zinc/66/40/22/1314664022.db2.gz QSIJCZYPNGRPBT-FPOVZHCZSA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)C[C@H](Cc1ccccc1)N1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246653075 1314664446 /nfs/dbraw/zinc/66/44/46/1314664446.db2.gz QSIJCZYPNGRPBT-CTNGQTDRSA-N 1 3 343.515 2.588 20 0 EFADHO COc1cccc2c1C[C@@H](N1CCC([C@@H]3CCCC[NH2+]3)CC1)CO2 ZINC001246665847 1314666539 /nfs/dbraw/zinc/66/65/39/1314666539.db2.gz RCIMBQUGDJGGQG-AEFFLSMTSA-N 1 3 330.472 2.853 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CC1CC[NH2+]CC1 ZINC001276709965 1314668637 /nfs/dbraw/zinc/66/86/37/1314668637.db2.gz QUXWGDTXPBWVLD-RLLQIKCJSA-N 1 3 337.552 2.587 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CCN1 ZINC001246684307 1314670885 /nfs/dbraw/zinc/67/08/85/1314670885.db2.gz DHXNLXRYSIBITF-NVXWUHKLSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CCN(C(=O)c4ccsc4)C3)CC2)CC[NH2+]1 ZINC001246684307 1314670890 /nfs/dbraw/zinc/67/08/90/1314670890.db2.gz DHXNLXRYSIBITF-NVXWUHKLSA-N 1 3 347.528 2.817 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1 ZINC001246692906 1314671507 /nfs/dbraw/zinc/67/15/07/1314671507.db2.gz PGEYVUAJKPZTBU-ZAAXVRCTSA-N 1 3 348.462 2.818 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2CC[C@]3(C2)CNCC[C@@H]3F)cc1 ZINC001246692906 1314671510 /nfs/dbraw/zinc/67/15/10/1314671510.db2.gz PGEYVUAJKPZTBU-ZAAXVRCTSA-N 1 3 348.462 2.818 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CCN(CC4CCCC4)C3=O)CC2)CC[NH2+]1 ZINC001246703724 1314673882 /nfs/dbraw/zinc/67/38/82/1314673882.db2.gz RWAAHSFCYDGFOR-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)CCN1 ZINC001246703724 1314673886 /nfs/dbraw/zinc/67/38/86/1314673886.db2.gz RWAAHSFCYDGFOR-FUHWJXTLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246705555 1314674469 /nfs/dbraw/zinc/67/44/69/1314674469.db2.gz AMUSJHRZJMSFIJ-GPMSIDNRSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705555 1314674473 /nfs/dbraw/zinc/67/44/73/1314674473.db2.gz AMUSJHRZJMSFIJ-GPMSIDNRSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705555 1314674479 /nfs/dbraw/zinc/67/44/79/1314674479.db2.gz AMUSJHRZJMSFIJ-GPMSIDNRSA-N 1 3 347.528 2.817 20 0 EFADHO CC[C@H]1N(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720579 1314675769 /nfs/dbraw/zinc/67/57/69/1314675769.db2.gz ITUSNSZSCRUMLS-WJJUKOQOSA-N 1 3 345.531 2.915 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246725365 1314676355 /nfs/dbraw/zinc/67/63/55/1314676355.db2.gz YGHRUMJWMQKOFA-SJORKVTESA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CCN1 ZINC001246766228 1314678888 /nfs/dbraw/zinc/67/88/88/1314678888.db2.gz MEVQYADWYAEANN-ZVXZJYCBSA-N 1 3 342.531 2.754 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@@H]3C2)CCN1 ZINC001246766228 1314678892 /nfs/dbraw/zinc/67/88/92/1314678892.db2.gz MEVQYADWYAEANN-ZVXZJYCBSA-N 1 3 342.531 2.754 20 0 EFADHO CC1(C)C[C@@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246771436 1314678939 /nfs/dbraw/zinc/67/89/39/1314678939.db2.gz MUPBRAJRABMXJP-KRWDZBQOSA-N 1 3 345.535 2.652 20 0 EFADHO C[C@@H]1C[C@H](N2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CC[NH2+]1 ZINC001246768952 1314679344 /nfs/dbraw/zinc/67/93/44/1314679344.db2.gz VUBBXMGJDKZQKY-PJIJBLCYSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768952 1314679348 /nfs/dbraw/zinc/67/93/48/1314679348.db2.gz VUBBXMGJDKZQKY-PJIJBLCYSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(CC(=O)N(c4ccc(F)c(F)c4)C3)C2)CCN1 ZINC001246768952 1314679352 /nfs/dbraw/zinc/67/93/52/1314679352.db2.gz VUBBXMGJDKZQKY-PJIJBLCYSA-N 1 3 349.425 2.534 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CCN1 ZINC001246766227 1314679520 /nfs/dbraw/zinc/67/95/20/1314679520.db2.gz MEVQYADWYAEANN-RKNHFHLDSA-N 1 3 342.531 2.754 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@@H]3CCC[C@H](N(C)Cc4ccccn4)[C@H]3C2)CCN1 ZINC001246766227 1314679524 /nfs/dbraw/zinc/67/95/24/1314679524.db2.gz MEVQYADWYAEANN-RKNHFHLDSA-N 1 3 342.531 2.754 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CC[NH2+]C(C)(C)C4)C3)CC2=O)cc1 ZINC001246775323 1314679672 /nfs/dbraw/zinc/67/96/72/1314679672.db2.gz GNBTZAKWQKRAEH-GHTZIAJQSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775323 1314679676 /nfs/dbraw/zinc/67/96/76/1314679676.db2.gz GNBTZAKWQKRAEH-GHTZIAJQSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CCNC(C)(C)C4)C3)CC2=O)cc1 ZINC001246775323 1314679681 /nfs/dbraw/zinc/67/96/81/1314679681.db2.gz GNBTZAKWQKRAEH-GHTZIAJQSA-N 1 3 341.499 2.954 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN(C4C[C@@H](C)[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246775459 1314680462 /nfs/dbraw/zinc/68/04/62/1314680462.db2.gz GRYDHBIRDQXXLE-LZJOCLMNSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@@H+](C4C[C@@H](C)N[C@H](C)C4)C3)CC2=O)cc1 ZINC001246775459 1314680466 /nfs/dbraw/zinc/68/04/66/1314680466.db2.gz GRYDHBIRDQXXLE-LZJOCLMNSA-N 1 3 341.499 2.953 20 0 EFADHO Cc1ccc(N2C[C@@]3(CC[N@H+](C4C[C@@H](C)N[C@H](C)C4)C3)CC2=O)cc1 ZINC001246775459 1314680470 /nfs/dbraw/zinc/68/04/70/1314680470.db2.gz GRYDHBIRDQXXLE-LZJOCLMNSA-N 1 3 341.499 2.953 20 0 EFADHO C[C@@H]1C[C@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806871 1314685577 /nfs/dbraw/zinc/68/55/77/1314685577.db2.gz OMUDFCNGPFNTCW-WQVCFCJDSA-N 1 3 338.293 2.536 20 0 EFADHO C[C@@H]1CC[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246805937 1314686132 /nfs/dbraw/zinc/68/61/32/1314686132.db2.gz LPWXZMLTKNALPI-WQVCFCJDSA-N 1 3 338.293 2.536 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)[C@H]1C ZINC001246823084 1314689671 /nfs/dbraw/zinc/68/96/71/1314689671.db2.gz MYUDOTLRQJOSRG-GDAAHCPNSA-N 1 3 330.472 2.623 20 0 EFADHO CC(C)[C@@H]1C[C@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246835393 1314692876 /nfs/dbraw/zinc/69/28/76/1314692876.db2.gz RVEPULOJZCAWIJ-YSTOQKLRSA-N 1 3 333.495 2.965 20 0 EFADHO Clc1cccc([C@@H]2CSCCN2[C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246834159 1314692988 /nfs/dbraw/zinc/69/29/88/1314692988.db2.gz FDQHGVRIMYWHRM-CVEARBPZSA-N 1 3 337.920 2.524 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087793 1314693405 /nfs/dbraw/zinc/69/34/05/1314693405.db2.gz OAYPNBJKYVQLHM-MJGOQNOKSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087793 1314693410 /nfs/dbraw/zinc/69/34/10/1314693410.db2.gz OAYPNBJKYVQLHM-MJGOQNOKSA-N 1 3 335.536 2.972 20 0 EFADHO c1ccc2c(c1)CCC[C@H]2N1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246873092 1314699954 /nfs/dbraw/zinc/69/99/54/1314699954.db2.gz DJFDAJDABSLVED-RCLSDMTESA-N 1 3 325.500 2.965 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)C1C[C@H](C)N[C@@H](C)C1 ZINC001246893167 1314704806 /nfs/dbraw/zinc/70/48/06/1314704806.db2.gz UVGKQIJFXAKESX-HRCADAONSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C1C[C@H](C)N[C@@H](C)C1 ZINC001246893167 1314704811 /nfs/dbraw/zinc/70/48/11/1314704811.db2.gz UVGKQIJFXAKESX-HRCADAONSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)C1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001246893167 1314704815 /nfs/dbraw/zinc/70/48/15/1314704815.db2.gz UVGKQIJFXAKESX-HRCADAONSA-N 1 3 328.497 2.586 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915282 1314708011 /nfs/dbraw/zinc/70/80/11/1314708011.db2.gz MBQFHXVGQDJBMB-MJGOQNOKSA-N 1 3 330.472 2.972 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915282 1314708013 /nfs/dbraw/zinc/70/80/13/1314708013.db2.gz MBQFHXVGQDJBMB-MJGOQNOKSA-N 1 3 330.472 2.972 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098103 1314711151 /nfs/dbraw/zinc/71/11/51/1314711151.db2.gz KHXYPLMOMHQDAL-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098103 1314711157 /nfs/dbraw/zinc/71/11/57/1314711157.db2.gz KHXYPLMOMHQDAL-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099584 1314715320 /nfs/dbraw/zinc/71/53/20/1314715320.db2.gz XTGMAYBXJCCGKU-SJLPKXTDSA-N 1 3 332.492 2.845 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099584 1314715327 /nfs/dbraw/zinc/71/53/27/1314715327.db2.gz XTGMAYBXJCCGKU-SJLPKXTDSA-N 1 3 332.492 2.845 20 0 EFADHO Clc1ccc2c(c1)[C@@H]1CN([C@H]3CSC4(C[NH2+]C4)C3)CC[C@H]1N2 ZINC001247003488 1314729315 /nfs/dbraw/zinc/72/93/15/1314729315.db2.gz NOHAVXIGWSLMDD-IVMMDQJWSA-N 1 3 335.904 2.771 20 0 EFADHO c1ccc(CN2CCN(c3ccc4[nH]c([C@H]5CC[NH2+]5)nc4c3)CC2)cc1 ZINC001247011117 1314730987 /nfs/dbraw/zinc/73/09/87/1314730987.db2.gz QAOJCTSZDDLPJU-LJQANCHMSA-N 1 3 347.466 2.920 20 0 EFADHO c1cc(-c2nc3ccccc3n2CC2CC[NH2+]CC2)n2c1CNCC2 ZINC001247023893 1314733219 /nfs/dbraw/zinc/73/32/19/1314733219.db2.gz JRUCYDOVDPCLRU-UHFFFAOYSA-N 1 3 335.455 2.608 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001214847323 1314746435 /nfs/dbraw/zinc/74/64/35/1314746435.db2.gz BJQZUJAYHKTFDY-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001214999817 1314767517 /nfs/dbraw/zinc/76/75/17/1314767517.db2.gz PBOLBQJKIRBOQE-SOLBZPMBSA-N 1 3 331.504 2.914 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)CN(C)C ZINC000400973521 1314790524 /nfs/dbraw/zinc/79/05/24/1314790524.db2.gz QMSYMYRFKWEPMF-QBPKDAKJSA-N 1 3 339.524 2.809 20 0 EFADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000401119833 1314796839 /nfs/dbraw/zinc/79/68/39/1314796839.db2.gz NWJWAOMINCVKQH-YYIAUSFCSA-N 1 3 339.524 2.843 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038246243 1314816671 /nfs/dbraw/zinc/81/66/71/1314816671.db2.gz CBXBJKXDLYWIPD-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@H]1CCN1CC1CCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038246243 1314816677 /nfs/dbraw/zinc/81/66/77/1314816677.db2.gz CBXBJKXDLYWIPD-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)CC[N@@H+]1C ZINC001038267196 1314827664 /nfs/dbraw/zinc/82/76/64/1314827664.db2.gz YHQOGXVECGAERW-NZSAHSFTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)CC[N@H+]1C ZINC001038267196 1314827668 /nfs/dbraw/zinc/82/76/68/1314827668.db2.gz YHQOGXVECGAERW-NZSAHSFTSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401849875 1314829284 /nfs/dbraw/zinc/82/92/84/1314829284.db2.gz CJPCTLYEWGAMJA-IBGZPJMESA-N 1 3 345.487 2.862 20 0 EFADHO C[NH+](C)CC(C)(C)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401873789 1314830239 /nfs/dbraw/zinc/83/02/39/1314830239.db2.gz JDCIVJYPVXQVQV-QGZVFWFLSA-N 1 3 333.476 2.575 20 0 EFADHO C[NH+](C)CC(C)(C)CN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401873788 1314830597 /nfs/dbraw/zinc/83/05/97/1314830597.db2.gz JDCIVJYPVXQVQV-KRWDZBQOSA-N 1 3 333.476 2.575 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001215539945 1314847609 /nfs/dbraw/zinc/84/76/09/1314847609.db2.gz FBTBYUFEOPXOCF-WSTZPKSXSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1ccc(-c2ccccc2-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247831464 1314848953 /nfs/dbraw/zinc/84/89/53/1314848953.db2.gz SRPKAXOFVYWCSD-GOSISDBHSA-N 1 3 346.434 2.988 20 0 EFADHO c1ccc(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247832207 1314848967 /nfs/dbraw/zinc/84/89/67/1314848967.db2.gz WHXIBNPAOLOTMW-QGZVFWFLSA-N 1 3 332.407 2.680 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215551726 1314850987 /nfs/dbraw/zinc/85/09/87/1314850987.db2.gz XRCAQPVUFWSCQK-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)c1 ZINC001215557931 1314851258 /nfs/dbraw/zinc/85/12/58/1314851258.db2.gz FGFCTNAOYMVGPN-IEBWSBKVSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]Cc1ccsc1 ZINC001215568449 1314852616 /nfs/dbraw/zinc/85/26/16/1314852616.db2.gz PUKWLSOAEAEXJI-GDBMZVCRSA-N 1 3 337.533 2.663 20 0 EFADHO Cc1ccc(-c2ccccc2-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247849391 1314853190 /nfs/dbraw/zinc/85/31/90/1314853190.db2.gz CATGJZLSUKUIED-UHFFFAOYSA-N 1 3 346.434 2.772 20 0 EFADHO c1ccc(Oc2cccc(-c3noc(C45CNCC4C[NH2+]C5)n3)c2)cc1 ZINC001247852914 1314853418 /nfs/dbraw/zinc/85/34/18/1314853418.db2.gz XTMZWTYVFZXCRF-UHFFFAOYSA-N 1 3 348.406 2.589 20 0 EFADHO Cc1ncsc1CN1C[C@H]2CC[C@@H](C1)N2CCC1CC[NH+](C)CC1 ZINC001276727421 1314868236 /nfs/dbraw/zinc/86/82/36/1314868236.db2.gz RJANVQKQSFPVLA-HDICACEKSA-N 1 3 348.560 2.832 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001215993773 1314898265 /nfs/dbraw/zinc/89/82/65/1314898265.db2.gz DFOSDBGKUZYBFL-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001215999219 1314899204 /nfs/dbraw/zinc/89/92/04/1314899204.db2.gz VRQYGESDXNVUGR-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO CC1CCC(CN2CC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001038453267 1314941421 /nfs/dbraw/zinc/94/14/21/1314941421.db2.gz GKSYMZMRZRCXIO-DAWZGUTISA-N 1 3 333.520 2.632 20 0 EFADHO Cc1nc(F)ccc1CN[C@@]12CC[C@@]([NH2+]CCN(C)C)(C1)CCC2 ZINC001276741859 1314962853 /nfs/dbraw/zinc/96/28/53/1314962853.db2.gz RCDDQZMNSYLLNB-MOPGFXCFSA-N 1 3 334.483 2.615 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001216500094 1314963089 /nfs/dbraw/zinc/96/30/89/1314963089.db2.gz ZIPSKOMNWMBTRU-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001216515455 1314964442 /nfs/dbraw/zinc/96/44/42/1314964442.db2.gz QJRBBGCQGTVDLG-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(CC)cc2)C1 ZINC001216511210 1314965135 /nfs/dbraw/zinc/96/51/35/1314965135.db2.gz MWXCFAALSCFLIA-YLJYHZDGSA-N 1 3 345.531 2.570 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842824 1315014400 /nfs/dbraw/zinc/01/44/00/1315014400.db2.gz NJEAMDPWRCPENN-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CCCCC[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842478 1315014442 /nfs/dbraw/zinc/01/44/42/1315014442.db2.gz DMOJFETZMYQATP-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001216853954 1315015694 /nfs/dbraw/zinc/01/56/94/1315015694.db2.gz PEROLGCGTSYVBL-IIDMSEBBSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852420 1315016116 /nfs/dbraw/zinc/01/61/16/1315016116.db2.gz ZAVFJPIAGZFGGF-UYAOXDASSA-N 1 3 345.531 2.704 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001216851930 1315016210 /nfs/dbraw/zinc/01/62/10/1315016210.db2.gz LOMJJUHDONHERN-YLJYHZDGSA-N 1 3 345.531 2.916 20 0 EFADHO CCOC(=O)c1ccc2c(CN3CCC4(C[NH+](C)C4)CC3)c[nH]c2c1 ZINC001249158886 1315026969 /nfs/dbraw/zinc/02/69/69/1315026969.db2.gz OVFBFAYLSNKOOT-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3cncc(Cl)c3)(C1)CCC2 ZINC001276753912 1315053501 /nfs/dbraw/zinc/05/35/01/1315053501.db2.gz AHEQSEKGDJGOBC-ZWKOTPCHSA-N 1 3 336.911 2.821 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2[C@@H]2CCCc3ccccc32)CC1 ZINC001038660449 1315070970 /nfs/dbraw/zinc/07/09/70/1315070970.db2.gz BLGGAAXDZUBKDL-UYAOXDASSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)o1 ZINC001276755555 1315072641 /nfs/dbraw/zinc/07/26/41/1315072641.db2.gz PAEXZTMCVXPHGG-UHFFFAOYSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)o1 ZINC001276755555 1315072644 /nfs/dbraw/zinc/07/26/44/1315072644.db2.gz PAEXZTMCVXPHGG-UHFFFAOYSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1nc(C)c(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)o1 ZINC001276755662 1315073118 /nfs/dbraw/zinc/07/31/18/1315073118.db2.gz SXLZHNDUDXCYFQ-IBGZPJMESA-N 1 3 334.508 2.531 20 0 EFADHO Cc1nc(C)c(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)o1 ZINC001276755662 1315073120 /nfs/dbraw/zinc/07/31/20/1315073120.db2.gz SXLZHNDUDXCYFQ-IBGZPJMESA-N 1 3 334.508 2.531 20 0 EFADHO CCCOc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217757274 1315111156 /nfs/dbraw/zinc/11/11/56/1315111156.db2.gz IKRRRTJHUKFFCC-UHFFFAOYSA-N 1 3 330.432 2.615 20 0 EFADHO Cc1csc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001276777686 1315169891 /nfs/dbraw/zinc/16/98/91/1315169891.db2.gz YFGSNHSWNBKRKP-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO CN1CCN(CCCc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC001250228556 1315186544 /nfs/dbraw/zinc/18/65/44/1315186544.db2.gz DEBWKZBHOPQLSE-UHFFFAOYSA-N 1 3 345.531 2.731 20 0 EFADHO Clc1ccncc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276785091 1315194238 /nfs/dbraw/zinc/19/42/38/1315194238.db2.gz VBFPKRGVJUPVDV-UHFFFAOYSA-N 1 3 345.878 2.530 20 0 EFADHO c1cn(CCN2CCC3(C[NH+](Cc4cccc5ccoc54)C3)C2)cn1 ZINC001276788901 1315211496 /nfs/dbraw/zinc/21/14/96/1315211496.db2.gz JOGHBHMNEYEERD-UHFFFAOYSA-N 1 3 336.439 2.837 20 0 EFADHO Cc1sc(NC(=O)[C@@H](N)CCC[NH3+])c(C(=O)c2ccccc2)c1C ZINC001218590542 1315219724 /nfs/dbraw/zinc/21/97/24/1315219724.db2.gz ZWRJTIGVVLEMNA-AWEZNQCLSA-N 1 3 345.468 2.601 20 0 EFADHO COc1ccc2ncc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2c1 ZINC001218627928 1315222960 /nfs/dbraw/zinc/22/29/60/1315222960.db2.gz ANOSUYIBYLFVNB-KRWDZBQOSA-N 1 3 344.459 2.678 20 0 EFADHO CC[NH+]1CCC(c2nc3c(cc(N4CCOCC4)cc3C)[nH]2)CC1 ZINC001250570270 1315225670 /nfs/dbraw/zinc/22/56/70/1315225670.db2.gz DWDZPACHVMEKTM-UHFFFAOYSA-N 1 3 328.460 2.907 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001054052059 1315228298 /nfs/dbraw/zinc/22/82/98/1315228298.db2.gz NYIOKEKUIPYPNI-HXUWFJFHSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2ccncn2)cs1 ZINC001218665485 1315229013 /nfs/dbraw/zinc/22/90/13/1315229013.db2.gz NPRIOGOYFXWAIB-AWEZNQCLSA-N 1 3 347.488 2.639 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(C2CCC2)nn1-c1ccccc1 ZINC001218755147 1315239443 /nfs/dbraw/zinc/23/94/43/1315239443.db2.gz HJOLLEUXVMIFHG-INIZCTEOSA-N 1 3 341.459 2.535 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054060652 1315244569 /nfs/dbraw/zinc/24/45/69/1315244569.db2.gz QEYRWUBTYXPSHX-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054060652 1315244570 /nfs/dbraw/zinc/24/45/70/1315244570.db2.gz QEYRWUBTYXPSHX-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccc(-n2cccc2)cc1 ZINC001218814838 1315245330 /nfs/dbraw/zinc/24/53/30/1315245330.db2.gz RBXAVXDJILOJAP-SFHVURJKSA-N 1 3 328.460 2.911 20 0 EFADHO N[C@H](C(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1)C1CC[NH2+]CC1 ZINC001218816601 1315245487 /nfs/dbraw/zinc/24/54/87/1315245487.db2.gz SCFIKRVEUJQVJJ-AWEZNQCLSA-N 1 3 341.377 2.546 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N(c1ccccc1)c1ccccc1N ZINC001218835989 1315248601 /nfs/dbraw/zinc/24/86/01/1315248601.db2.gz VCTYMPDITBUMFI-SFHVURJKSA-N 1 3 340.471 2.993 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001218860740 1315252785 /nfs/dbraw/zinc/25/27/85/1315252785.db2.gz WDXGGZZPNUXRBW-AWEZNQCLSA-N 1 3 333.432 2.513 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(C2CCOCC2)cc1 ZINC001218898419 1315256832 /nfs/dbraw/zinc/25/68/32/1315256832.db2.gz OUKZYHIXUBCSPV-SFHVURJKSA-N 1 3 333.476 2.578 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)CN2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001250763637 1315261046 /nfs/dbraw/zinc/26/10/46/1315261046.db2.gz MTMWKSKTSLIXSJ-GOSISDBHSA-N 1 3 332.488 2.577 20 0 EFADHO [NH3+][C@@H](CSc1ccccc1)CC(=O)Nc1cccc2c1CNC2 ZINC001218993903 1315269649 /nfs/dbraw/zinc/26/96/49/1315269649.db2.gz XVETUCABEGNGIU-CQSZACIVSA-N 1 3 327.453 2.738 20 0 EFADHO O=C(Nc1cccc2c1CNC2)[C@H]1OC2(CC[NH2+]CC2)c2ccccc21 ZINC001218994690 1315269755 /nfs/dbraw/zinc/26/97/55/1315269755.db2.gz MSNSJXCRMCAGEW-IBGZPJMESA-N 1 3 349.434 2.579 20 0 EFADHO Cc1cccc(C[C@]2(C(=O)Nc3cccc4c3CNC4)CCC[NH2+]2)c1 ZINC001218993985 1315270263 /nfs/dbraw/zinc/27/02/63/1315270263.db2.gz ZGIPBJCJDSENAZ-NRFANRHFSA-N 1 3 335.451 2.902 20 0 EFADHO N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994085 1315270312 /nfs/dbraw/zinc/27/03/12/1315270312.db2.gz ACAJPWPNWGMXFV-OAHLLOKOSA-N 1 3 349.356 2.817 20 0 EFADHO O=C(C[C@@H]1Cc2ccccc2CN1)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996463 1315270673 /nfs/dbraw/zinc/27/06/73/1315270673.db2.gz JTDZUNNDXRRAHY-QUCCMNQESA-N 1 3 335.451 2.807 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001219031479 1315274799 /nfs/dbraw/zinc/27/47/99/1315274799.db2.gz OPNCJAFZBMFBQJ-GOSISDBHSA-N 1 3 337.423 2.845 20 0 EFADHO CN1Cc2c(NC(=O)[C@H]3CC[C@@H]3[NH3+])cccc2[C@H](c2ccccc2)C1 ZINC001219046833 1315276824 /nfs/dbraw/zinc/27/68/24/1315276824.db2.gz KLYGMXLTLOJGDT-LNLFQRSKSA-N 1 3 335.451 2.940 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)C1 ZINC001219128839 1315283724 /nfs/dbraw/zinc/28/37/24/1315283724.db2.gz IPAAAUBXMVXPJF-DYVFJYSZSA-N 1 3 349.450 2.531 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1-c1ncc[nH]1 ZINC001219169390 1315286661 /nfs/dbraw/zinc/28/66/61/1315286661.db2.gz ASWKPPDFTCNGDY-HNNXBMFYSA-N 1 3 329.448 2.511 20 0 EFADHO CC(C)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C(F)(F)F)c1 ZINC001219266501 1315295258 /nfs/dbraw/zinc/29/52/58/1315295258.db2.gz LHYXPYZZSFBAHZ-ZDUSSCGKSA-N 1 3 341.377 2.576 20 0 EFADHO N[C@@H](C(=O)Nc1cc(C2CCCCC2)ccc1O)C1CC[NH2+]CC1 ZINC001219400343 1315309695 /nfs/dbraw/zinc/30/96/95/1315309695.db2.gz LFICGLMYUXZPQJ-GOSISDBHSA-N 1 3 331.460 2.705 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1-c1ccc(Cl)cn1 ZINC001219400506 1315310063 /nfs/dbraw/zinc/31/00/63/1315310063.db2.gz QCMWKWZJSYQQEH-AWEZNQCLSA-N 1 3 332.835 2.797 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219548423 1315321666 /nfs/dbraw/zinc/32/16/66/1315321666.db2.gz WURPUFFVCPIASX-HNNXBMFYSA-N 1 3 331.366 2.541 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)C[NH2+]1 ZINC001219587111 1315328129 /nfs/dbraw/zinc/32/81/29/1315328129.db2.gz QZZTZBZLZKIYIJ-ZVZYQTTQSA-N 1 3 349.906 2.809 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132192 1315340718 /nfs/dbraw/zinc/34/07/18/1315340718.db2.gz BBDAEQORUKQQOS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001054132192 1315340722 /nfs/dbraw/zinc/34/07/22/1315340722.db2.gz BBDAEQORUKQQOS-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219711776 1315341352 /nfs/dbraw/zinc/34/13/52/1315341352.db2.gz HSRYIZSIKPATHT-MJGOQNOKSA-N 1 3 349.519 2.683 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@H](N)C(C)(C)C)CC21CC[NH2+]CC1 ZINC001219753377 1315343532 /nfs/dbraw/zinc/34/35/32/1315343532.db2.gz GZMMOHJMDVBESD-SJORKVTESA-N 1 3 329.488 2.551 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001054140532 1315355020 /nfs/dbraw/zinc/35/50/20/1315355020.db2.gz PFRYLBOJKMSUBZ-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001054140532 1315355023 /nfs/dbraw/zinc/35/50/23/1315355023.db2.gz PFRYLBOJKMSUBZ-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO C[NH+](C)CCCCCNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001219920949 1315356711 /nfs/dbraw/zinc/35/67/11/1315356711.db2.gz NDVYRRCLLZHNFK-OAHLLOKOSA-N 1 3 345.409 2.943 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219940843 1315358502 /nfs/dbraw/zinc/35/85/02/1315358502.db2.gz GUSZTSYEINMMBF-PMACEKPBSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219940843 1315358503 /nfs/dbraw/zinc/35/85/03/1315358503.db2.gz GUSZTSYEINMMBF-PMACEKPBSA-N 1 3 343.515 2.922 20 0 EFADHO CCC[NH+]1CCC(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001219954048 1315359179 /nfs/dbraw/zinc/35/91/79/1315359179.db2.gz BARYXLQQHXNLIA-LMFLDHGRSA-N 1 3 333.520 2.521 20 0 EFADHO C[C@](N)(Cc1ccc(F)cc1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954288 1315359186 /nfs/dbraw/zinc/35/91/86/1315359186.db2.gz FQFGQZKXXJLEBN-IBGZPJMESA-N 1 3 335.467 2.514 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142715 1315359756 /nfs/dbraw/zinc/35/97/56/1315359756.db2.gz HHXLMFUGHUSFAZ-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142715 1315359759 /nfs/dbraw/zinc/35/97/59/1315359759.db2.gz HHXLMFUGHUSFAZ-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001054144055 1315361604 /nfs/dbraw/zinc/36/16/04/1315361604.db2.gz PFPUNTNBTYBZQL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001054144055 1315361607 /nfs/dbraw/zinc/36/16/07/1315361607.db2.gz PFPUNTNBTYBZQL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144044 1315361636 /nfs/dbraw/zinc/36/16/36/1315361636.db2.gz PAIFPPIQVCWSFV-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144044 1315361639 /nfs/dbraw/zinc/36/16/39/1315361639.db2.gz PAIFPPIQVCWSFV-FUHWJXTLSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)CCC1 ZINC001054144657 1315362859 /nfs/dbraw/zinc/36/28/59/1315362859.db2.gz YAOFKORTGBNZQQ-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)CCC1 ZINC001054144657 1315362863 /nfs/dbraw/zinc/36/28/63/1315362863.db2.gz YAOFKORTGBNZQQ-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144227 1315363104 /nfs/dbraw/zinc/36/31/04/1315363104.db2.gz SHRHYWWJMODNGF-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144227 1315363109 /nfs/dbraw/zinc/36/31/09/1315363109.db2.gz SHRHYWWJMODNGF-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145342 1315364408 /nfs/dbraw/zinc/36/44/08/1315364408.db2.gz NSNSHUAEGWUEIG-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145342 1315364411 /nfs/dbraw/zinc/36/44/11/1315364411.db2.gz NSNSHUAEGWUEIG-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145035 1315364440 /nfs/dbraw/zinc/36/44/40/1315364440.db2.gz IMVVWPHTZPPPEB-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145035 1315364444 /nfs/dbraw/zinc/36/44/44/1315364444.db2.gz IMVVWPHTZPPPEB-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC001219994175 1315364528 /nfs/dbraw/zinc/36/45/28/1315364528.db2.gz FVJUJZMYTGZSJV-VYOWGEPCSA-N 1 3 335.536 2.911 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148621 1315370247 /nfs/dbraw/zinc/37/02/47/1315370247.db2.gz RGWOYGKADDZZKZ-ICSRJNTNSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054148621 1315370248 /nfs/dbraw/zinc/37/02/48/1315370248.db2.gz RGWOYGKADDZZKZ-ICSRJNTNSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150147 1315372535 /nfs/dbraw/zinc/37/25/35/1315372535.db2.gz VNDGEJZNAKTFQM-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150147 1315372540 /nfs/dbraw/zinc/37/25/40/1315372540.db2.gz VNDGEJZNAKTFQM-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054152137 1315376000 /nfs/dbraw/zinc/37/60/00/1315376000.db2.gz AMILBJXNCIOQAO-CTNGQTDRSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC001054152137 1315376002 /nfs/dbraw/zinc/37/60/02/1315376002.db2.gz AMILBJXNCIOQAO-CTNGQTDRSA-N 1 3 343.515 2.841 20 0 EFADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCC[C@@H](c2ccccc2)N1 ZINC001220162865 1315377625 /nfs/dbraw/zinc/37/76/25/1315377625.db2.gz MOGGBEDOVVMOEM-HDAAZOAOSA-N 1 3 341.499 2.908 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220254757 1315391166 /nfs/dbraw/zinc/39/11/66/1315391166.db2.gz WILYCAZNJFDONA-QGZVFWFLSA-N 1 3 333.520 2.558 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1C[C@@H](c2ccccc2)CCN1 ZINC001220335097 1315400827 /nfs/dbraw/zinc/40/08/27/1315400827.db2.gz ICBXBXFSUIJFSF-IHPCNDPISA-N 1 3 343.515 2.759 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1ccccc1OC(C)(C)C)C2 ZINC001276812632 1315401783 /nfs/dbraw/zinc/40/17/83/1315401783.db2.gz IIUFYRBPCGUSBF-MJGOQNOKSA-N 1 3 345.531 2.932 20 0 EFADHO C[NH+](C)CCC(C)(C)NC(=O)[C@H](N)Cc1ccc(C(C)(C)C)cc1 ZINC001220386377 1315405282 /nfs/dbraw/zinc/40/52/82/1315405282.db2.gz QRPXMBAZFDVCAD-QGZVFWFLSA-N 1 3 333.520 2.700 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001276812965 1315406020 /nfs/dbraw/zinc/40/60/20/1315406020.db2.gz LUQWBYBRTLCJTL-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cccnc1Cl)CC2 ZINC001276812965 1315406024 /nfs/dbraw/zinc/40/60/24/1315406024.db2.gz LUQWBYBRTLCJTL-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO [NH3+]C1(CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001220496961 1315420665 /nfs/dbraw/zinc/42/06/65/1315420665.db2.gz HVRWTYYOOUZWBJ-MRXNPFEDSA-N 1 3 349.906 2.940 20 0 EFADHO Cc1cc([C@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)ccc1Cl ZINC001220555481 1315424599 /nfs/dbraw/zinc/42/45/99/1315424599.db2.gz JSCWWCLNFFFLKW-XJKSGUPXSA-N 1 3 335.879 2.700 20 0 EFADHO Cc1cc([C@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)ccc1Cl ZINC001220555481 1315424601 /nfs/dbraw/zinc/42/46/01/1315424601.db2.gz JSCWWCLNFFFLKW-XJKSGUPXSA-N 1 3 335.879 2.700 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001039051045 1315424846 /nfs/dbraw/zinc/42/48/46/1315424846.db2.gz RVIUQWOVUFMNHK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001039051045 1315424850 /nfs/dbraw/zinc/42/48/50/1315424850.db2.gz RVIUQWOVUFMNHK-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001039051046 1315425027 /nfs/dbraw/zinc/42/50/27/1315425027.db2.gz RVIUQWOVUFMNHK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001039051046 1315425030 /nfs/dbraw/zinc/42/50/30/1315425030.db2.gz RVIUQWOVUFMNHK-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054192249 1315433676 /nfs/dbraw/zinc/43/36/76/1315433676.db2.gz SEUMMNQILASOJA-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054192249 1315433681 /nfs/dbraw/zinc/43/36/81/1315433681.db2.gz SEUMMNQILASOJA-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1ccccc1OC ZINC001220635718 1315435773 /nfs/dbraw/zinc/43/57/73/1315435773.db2.gz MJZZGKKQSIOFKV-IRXDYDNUSA-N 1 3 335.492 2.758 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001054197726 1315442838 /nfs/dbraw/zinc/44/28/38/1315442838.db2.gz HHGCAQVASFLNJB-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001054197726 1315442841 /nfs/dbraw/zinc/44/28/41/1315442841.db2.gz HHGCAQVASFLNJB-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054204696 1315452388 /nfs/dbraw/zinc/45/23/88/1315452388.db2.gz ASAAHWDKQLAMOJ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001054204696 1315452392 /nfs/dbraw/zinc/45/23/92/1315452392.db2.gz ASAAHWDKQLAMOJ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209887 1315461505 /nfs/dbraw/zinc/46/15/05/1315461505.db2.gz ZWPXOPRCJVTLTK-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209887 1315461510 /nfs/dbraw/zinc/46/15/10/1315461510.db2.gz ZWPXOPRCJVTLTK-QUCCMNQESA-N 1 3 335.536 2.974 20 0 EFADHO CN[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220916989 1315463499 /nfs/dbraw/zinc/46/34/99/1315463499.db2.gz IMEVEVZYNYEUCW-VQTJNVASSA-N 1 3 343.515 2.588 20 0 EFADHO CN[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220916989 1315463503 /nfs/dbraw/zinc/46/35/03/1315463503.db2.gz IMEVEVZYNYEUCW-VQTJNVASSA-N 1 3 343.515 2.588 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220919072 1315464583 /nfs/dbraw/zinc/46/45/83/1315464583.db2.gz RNGUGTLOOCQHMT-QUCCMNQESA-N 1 3 343.515 2.860 20 0 EFADHO N[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919072 1315464587 /nfs/dbraw/zinc/46/45/87/1315464587.db2.gz RNGUGTLOOCQHMT-QUCCMNQESA-N 1 3 343.515 2.860 20 0 EFADHO CN1CCC[C@]2(CCC[N@H+](Cc3cccc(-n4cncn4)c3)C2)C1 ZINC001276817873 1315468963 /nfs/dbraw/zinc/46/89/63/1315468963.db2.gz NULRMRSADYBYMX-IBGZPJMESA-N 1 3 325.460 2.575 20 0 EFADHO CN1CCC[C@]2(CCC[N@@H+](Cc3cccc(-n4cncn4)c3)C2)C1 ZINC001276817873 1315468965 /nfs/dbraw/zinc/46/89/65/1315468965.db2.gz NULRMRSADYBYMX-IBGZPJMESA-N 1 3 325.460 2.575 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1)N(C)C ZINC001221032959 1315474094 /nfs/dbraw/zinc/47/40/94/1315474094.db2.gz AIOGSMUZXUELFZ-QZTJIDSGSA-N 1 3 335.467 2.569 20 0 EFADHO CC(C)[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]C1 ZINC001221063009 1315479023 /nfs/dbraw/zinc/47/90/23/1315479023.db2.gz IDIKMNBZKOOFLF-FPOVZHCZSA-N 1 3 343.515 2.793 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCC1(C)CCC(F)(F)CC1 ZINC001221109577 1315482104 /nfs/dbraw/zinc/48/21/04/1315482104.db2.gz HKJBEWDPQDHXHC-AWEZNQCLSA-N 1 3 333.467 2.814 20 0 EFADHO CC(C)CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188628 1315490049 /nfs/dbraw/zinc/49/00/49/1315490049.db2.gz ZSCLUVWKSAPQRN-TUVASFSCSA-N 1 3 349.441 2.671 20 0 EFADHO N[C@@H](C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001221250478 1315497618 /nfs/dbraw/zinc/49/76/18/1315497618.db2.gz LIXGRZHIMYOSBW-PXGGHBFRSA-N 1 3 345.531 2.569 20 0 EFADHO CN1CC2(C1)CC[NH+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC001252756112 1315501838 /nfs/dbraw/zinc/50/18/38/1315501838.db2.gz FYTOVHKKBLWITB-SFHVURJKSA-N 1 3 346.515 2.751 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770573 1315504373 /nfs/dbraw/zinc/50/43/73/1315504373.db2.gz IQFARMGFCAKKEL-SZVBFZGTSA-N 1 3 334.504 2.654 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770573 1315504379 /nfs/dbraw/zinc/50/43/79/1315504379.db2.gz IQFARMGFCAKKEL-SZVBFZGTSA-N 1 3 334.504 2.654 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221295813 1315505655 /nfs/dbraw/zinc/50/56/55/1315505655.db2.gz RFRUHCTYMMNAKP-VQIMIIECSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221295813 1315505657 /nfs/dbraw/zinc/50/56/57/1315505657.db2.gz RFRUHCTYMMNAKP-VQIMIIECSA-N 1 3 343.515 2.937 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132665 1315516459 /nfs/dbraw/zinc/51/64/59/1315516459.db2.gz BRTMQSFHVMVMGS-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132665 1315516463 /nfs/dbraw/zinc/51/64/63/1315516463.db2.gz BRTMQSFHVMVMGS-PMACEKPBSA-N 1 3 347.547 2.687 20 0 EFADHO O[C@@H](C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccc(F)cc1 ZINC001252865576 1315518274 /nfs/dbraw/zinc/51/82/74/1315518274.db2.gz LJCJCTFYOSGJJW-FQEVSTJZSA-N 1 3 343.446 2.756 20 0 EFADHO CCCOC1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252927438 1315534829 /nfs/dbraw/zinc/53/48/29/1315534829.db2.gz IQNIKGSWGXKRQN-FQEVSTJZSA-N 1 3 332.488 2.514 20 0 EFADHO CCCOC1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252927438 1315534832 /nfs/dbraw/zinc/53/48/32/1315534832.db2.gz IQNIKGSWGXKRQN-FQEVSTJZSA-N 1 3 332.488 2.514 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154453 1315549320 /nfs/dbraw/zinc/54/93/20/1315549320.db2.gz YJRRAOYIWSLOKE-RTBURBONSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039154453 1315549324 /nfs/dbraw/zinc/54/93/24/1315549324.db2.gz YJRRAOYIWSLOKE-RTBURBONSA-N 1 3 337.552 2.789 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)C[NH+]1CCC2(CN(C)C2)CC1 ZINC001253009143 1315551246 /nfs/dbraw/zinc/55/12/46/1315551246.db2.gz GCFWNRPRSBANJZ-QZTJIDSGSA-N 1 3 326.525 2.608 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159032 1315555175 /nfs/dbraw/zinc/55/51/75/1315555175.db2.gz AWDCTARQEWTKES-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159032 1315555178 /nfs/dbraw/zinc/55/51/78/1315555178.db2.gz AWDCTARQEWTKES-IBGZPJMESA-N 1 3 349.563 2.935 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588112 1315557765 /nfs/dbraw/zinc/55/77/65/1315557765.db2.gz UMLQEPIHBNEJMK-OCXQYPQTSA-N 1 3 339.499 2.555 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588112 1315557768 /nfs/dbraw/zinc/55/77/68/1315557768.db2.gz UMLQEPIHBNEJMK-OCXQYPQTSA-N 1 3 339.499 2.555 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594874 1315558529 /nfs/dbraw/zinc/55/85/29/1315558529.db2.gz GTHCAWUBNKZNJB-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3CCC)[C@@H]2C1 ZINC001221594874 1315558534 /nfs/dbraw/zinc/55/85/34/1315558534.db2.gz GTHCAWUBNKZNJB-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001039163630 1315561833 /nfs/dbraw/zinc/56/18/33/1315561833.db2.gz DWUYPTPIODKIQA-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001039163630 1315561836 /nfs/dbraw/zinc/56/18/36/1315561836.db2.gz DWUYPTPIODKIQA-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164709 1315564390 /nfs/dbraw/zinc/56/43/90/1315564390.db2.gz LGDPJNSDKMMEPY-MJGOQNOKSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039164709 1315564392 /nfs/dbraw/zinc/56/43/92/1315564392.db2.gz LGDPJNSDKMMEPY-MJGOQNOKSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165780 1315564970 /nfs/dbraw/zinc/56/49/70/1315564970.db2.gz SSZNRTLKKGFMSU-AZUAARDMSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165780 1315564972 /nfs/dbraw/zinc/56/49/72/1315564972.db2.gz SSZNRTLKKGFMSU-AZUAARDMSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165783 1315565823 /nfs/dbraw/zinc/56/58/23/1315565823.db2.gz SSZNRTLKKGFMSU-UYAOXDASSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC001039165783 1315565827 /nfs/dbraw/zinc/56/58/27/1315565827.db2.gz SSZNRTLKKGFMSU-UYAOXDASSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001221631518 1315567167 /nfs/dbraw/zinc/56/71/67/1315567167.db2.gz USEIKEQCUNGLHS-KURKYZTESA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)(C)C)C[C@H]21)N(C)C ZINC001221631518 1315567171 /nfs/dbraw/zinc/56/71/71/1315567171.db2.gz USEIKEQCUNGLHS-KURKYZTESA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@](O)(C[NH2+]CC1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC001253122294 1315572336 /nfs/dbraw/zinc/57/23/36/1315572336.db2.gz LJCDKSIVRFXWEG-OAQYLSRUSA-N 1 3 339.483 2.791 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001054736085 1315573092 /nfs/dbraw/zinc/57/30/92/1315573092.db2.gz LAKVNRWEEVKJMW-MAUKXSAKSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172894 1315576908 /nfs/dbraw/zinc/57/69/08/1315576908.db2.gz IFDFZTWFQDJTDF-IBGZPJMESA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039172894 1315576911 /nfs/dbraw/zinc/57/69/11/1315576911.db2.gz IFDFZTWFQDJTDF-IBGZPJMESA-N 1 3 333.520 2.609 20 0 EFADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC001039175956 1315581539 /nfs/dbraw/zinc/58/15/39/1315581539.db2.gz IFUXRKXQMPVCOD-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccccc3CN(C)C)CC2)C1 ZINC001039175956 1315581541 /nfs/dbraw/zinc/58/15/41/1315581541.db2.gz IFUXRKXQMPVCOD-SFHVURJKSA-N 1 3 343.515 2.942 20 0 EFADHO CC1CCN(CCC[NH2+]C[C@H](O)CCOCc2ccccc2)CC1 ZINC001253285336 1315589546 /nfs/dbraw/zinc/58/95/46/1315589546.db2.gz DPTANIUYCJKNDY-HXUWFJFHSA-N 1 3 334.504 2.666 20 0 EFADHO CC1CC[NH+](CCCNC[C@H](O)CCOCc2ccccc2)CC1 ZINC001253285336 1315589549 /nfs/dbraw/zinc/58/95/49/1315589549.db2.gz DPTANIUYCJKNDY-HXUWFJFHSA-N 1 3 334.504 2.666 20 0 EFADHO O[C@H](CCOCc1ccccc1)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001253296264 1315591007 /nfs/dbraw/zinc/59/10/07/1315591007.db2.gz NFSKIRACGHDQMP-OAQYLSRUSA-N 1 3 346.515 2.808 20 0 EFADHO O[C@H](CCOCc1ccccc1)CNC1CC[NH+](CC2CCC2)CC1 ZINC001253296264 1315591010 /nfs/dbraw/zinc/59/10/10/1315591010.db2.gz NFSKIRACGHDQMP-OAQYLSRUSA-N 1 3 346.515 2.808 20 0 EFADHO O[C@H](CCOCc1ccccc1)CNC1CC[NH+](C2CCC2)CC1 ZINC001253293591 1315591327 /nfs/dbraw/zinc/59/13/27/1315591327.db2.gz MVUZTPGUGYSFMV-HXUWFJFHSA-N 1 3 332.488 2.561 20 0 EFADHO CC(C)(C)OC[C@H](O)C[NH+]1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001253455351 1315605478 /nfs/dbraw/zinc/60/54/78/1315605478.db2.gz GWNUIIGMVBZKIK-LJQANCHMSA-N 1 3 346.515 2.760 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[NH+](C[C@H](O)COC(C)(C)C)C[C@H]3C2)cc1 ZINC001253455427 1315605606 /nfs/dbraw/zinc/60/56/06/1315605606.db2.gz WOPHKTHVTLQKRK-AQNXPRMDSA-N 1 3 346.515 2.535 20 0 EFADHO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC001253455078 1315605849 /nfs/dbraw/zinc/60/58/49/1315605849.db2.gz CWWJJIQIGFZQJO-FQEVSTJZSA-N 1 3 346.515 2.685 20 0 EFADHO CCCCC[C@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253530040 1315612212 /nfs/dbraw/zinc/61/22/12/1315612212.db2.gz VCIAVWNSQKDQGF-HSALFYBXSA-N 1 3 338.536 2.608 20 0 EFADHO CCCCC[C@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253530040 1315612215 /nfs/dbraw/zinc/61/22/15/1315612215.db2.gz VCIAVWNSQKDQGF-HSALFYBXSA-N 1 3 338.536 2.608 20 0 EFADHO CCCCC[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001253555309 1315615355 /nfs/dbraw/zinc/61/53/55/1315615355.db2.gz YLFHOVXYKIBHAJ-OAQYLSRUSA-N 1 3 347.547 2.855 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213714 1315630123 /nfs/dbraw/zinc/63/01/23/1315630123.db2.gz LKDJSZIYBXZCNN-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001039213714 1315630126 /nfs/dbraw/zinc/63/01/26/1315630126.db2.gz LKDJSZIYBXZCNN-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1noc(C)c1C[N@H+]1CCCC12CCN(C[C@@H](O)C(C)C)CC2 ZINC001253759134 1315635346 /nfs/dbraw/zinc/63/53/46/1315635346.db2.gz GKAYOMXVAXRHLV-GOSISDBHSA-N 1 3 335.492 2.739 20 0 EFADHO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(C[C@@H](O)C(C)C)CC2 ZINC001253759134 1315635349 /nfs/dbraw/zinc/63/53/49/1315635349.db2.gz GKAYOMXVAXRHLV-GOSISDBHSA-N 1 3 335.492 2.739 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001000192731 1315648049 /nfs/dbraw/zinc/64/80/49/1315648049.db2.gz NDNNKHPRXJGMDP-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001000191854 1315648396 /nfs/dbraw/zinc/64/83/96/1315648396.db2.gz KOLUKQSLEYZLOM-YJBOKZPZSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001000225507 1315649374 /nfs/dbraw/zinc/64/93/74/1315649374.db2.gz KVCVZTLYNKRIDE-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO C[N@H+]1C[C@H]2CN(C[C@H](O)C(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC001253926113 1315652388 /nfs/dbraw/zinc/65/23/88/1315652388.db2.gz QKNHFGDPASNVNX-HBMCJLEFSA-N 1 3 336.479 2.673 20 0 EFADHO C[N@@H+]1C[C@H]2CN(C[C@H](O)C(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC001253926113 1315652392 /nfs/dbraw/zinc/65/23/92/1315652392.db2.gz QKNHFGDPASNVNX-HBMCJLEFSA-N 1 3 336.479 2.673 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001000321643 1315653925 /nfs/dbraw/zinc/65/39/25/1315653925.db2.gz UMCCKFMRUSONFM-WBVHZDCISA-N 1 3 326.444 2.602 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239679 1315666762 /nfs/dbraw/zinc/66/67/62/1315666762.db2.gz UOVADVSIOWWFJT-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039239679 1315666764 /nfs/dbraw/zinc/66/67/64/1315666764.db2.gz UOVADVSIOWWFJT-AEFFLSMTSA-N 1 3 332.492 2.701 20 0 EFADHO OC1(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037230 1315667625 /nfs/dbraw/zinc/66/76/25/1315667625.db2.gz UKFMSIOKMVIYKB-UXHICEINSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254037230 1315667628 /nfs/dbraw/zinc/66/76/28/1315667628.db2.gz UKFMSIOKMVIYKB-UXHICEINSA-N 1 3 344.499 2.514 20 0 EFADHO CO[C@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254042218 1315668447 /nfs/dbraw/zinc/66/84/47/1315668447.db2.gz BISJMIHVGPNCMA-HKUYNNGSSA-N 1 3 332.488 2.513 20 0 EFADHO CO[C@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001254042218 1315668450 /nfs/dbraw/zinc/66/84/50/1315668450.db2.gz BISJMIHVGPNCMA-HKUYNNGSSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001000661441 1315676430 /nfs/dbraw/zinc/67/64/30/1315676430.db2.gz DJVKKEJEJJDUEZ-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001000661441 1315676432 /nfs/dbraw/zinc/67/64/32/1315676432.db2.gz DJVKKEJEJJDUEZ-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001000661440 1315676946 /nfs/dbraw/zinc/67/69/46/1315676946.db2.gz DJVKKEJEJJDUEZ-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001000661440 1315676947 /nfs/dbraw/zinc/67/69/47/1315676947.db2.gz DJVKKEJEJJDUEZ-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)(C)c1ccc(-c2cn(CCCC[NH2+]CCCN)nn2)cc1 ZINC001254163892 1315677454 /nfs/dbraw/zinc/67/74/54/1315677454.db2.gz ACHWIYNLNLOSHK-UHFFFAOYSA-N 1 3 329.492 2.961 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC001254310413 1315693730 /nfs/dbraw/zinc/69/37/30/1315693730.db2.gz NKRZOITYXRZSLJ-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254380509 1315700084 /nfs/dbraw/zinc/70/00/84/1315700084.db2.gz SUAKNTBXEVCSHM-UXHICEINSA-N 1 3 344.499 2.921 20 0 EFADHO CC(=O)N1CCC([NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)CC1 ZINC001254427864 1315703582 /nfs/dbraw/zinc/70/35/82/1315703582.db2.gz GFIDIYFJJHCQTR-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCCC2)CC1 ZINC001254512221 1315711613 /nfs/dbraw/zinc/71/16/13/1315711613.db2.gz KWTJDLKURMDJEN-VQTJNVASSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519077 1315714651 /nfs/dbraw/zinc/71/46/51/1315714651.db2.gz GMCVYFXTZOTANL-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H]1CC[N@H+]([C@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519077 1315714655 /nfs/dbraw/zinc/71/46/55/1315714655.db2.gz GMCVYFXTZOTANL-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO CN1CCC[C@@H]([NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001254523727 1315716230 /nfs/dbraw/zinc/71/62/30/1315716230.db2.gz VQRACNSSQVAOCH-RBUKOAKNSA-N 1 3 347.547 2.879 20 0 EFADHO CN1CCC[C@H]([NH+]2CCC3(CCN(c4ncccn4)CC3)CC2)CC1 ZINC001254522502 1315716610 /nfs/dbraw/zinc/71/66/10/1315716610.db2.gz NSWHRJNHXWNFJC-SFHVURJKSA-N 1 3 343.519 2.643 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1 ZINC001254522434 1315716675 /nfs/dbraw/zinc/71/66/75/1315716675.db2.gz GBOXWHYTUQLQKE-QGZVFWFLSA-N 1 3 342.487 2.983 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1 ZINC001254522434 1315716677 /nfs/dbraw/zinc/71/66/77/1315716677.db2.gz GBOXWHYTUQLQKE-QGZVFWFLSA-N 1 3 342.487 2.983 20 0 EFADHO CN1CCC[C@@H]([NH+]2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001254523728 1315716742 /nfs/dbraw/zinc/71/67/42/1315716742.db2.gz VQRACNSSQVAOCH-RTBURBONSA-N 1 3 347.547 2.879 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001254523768 1315717131 /nfs/dbraw/zinc/71/71/31/1315717131.db2.gz RHCXIPZDZFTVKP-OAHLLOKOSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(C)(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001254523768 1315717133 /nfs/dbraw/zinc/71/71/33/1315717133.db2.gz RHCXIPZDZFTVKP-OAHLLOKOSA-N 1 3 325.497 2.850 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@H]4CCC[N@@H+](C)CC4)C3)CC2=O)s1 ZINC001254524177 1315718131 /nfs/dbraw/zinc/71/81/31/1315718131.db2.gz YOKOOIUJNXZVLX-LPHOPBHVSA-N 1 3 347.528 2.970 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@H]4CCC[N@H+](C)CC4)C3)CC2=O)s1 ZINC001254524177 1315718132 /nfs/dbraw/zinc/71/81/32/1315718132.db2.gz YOKOOIUJNXZVLX-LPHOPBHVSA-N 1 3 347.528 2.970 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 ZINC001254530901 1315719425 /nfs/dbraw/zinc/71/94/25/1315719425.db2.gz HZLMABFOFGPGNP-MSOLQXFVSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 ZINC001254530901 1315719426 /nfs/dbraw/zinc/71/94/26/1315719426.db2.gz HZLMABFOFGPGNP-MSOLQXFVSA-N 1 3 333.451 2.504 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254532956 1315720047 /nfs/dbraw/zinc/72/00/47/1315720047.db2.gz YRSLKEHXDPMMHZ-IBGZPJMESA-N 1 3 329.488 2.707 20 0 EFADHO CN(C(=O)c1ccccc1)C1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254532956 1315720050 /nfs/dbraw/zinc/72/00/50/1315720050.db2.gz YRSLKEHXDPMMHZ-IBGZPJMESA-N 1 3 329.488 2.707 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1 ZINC001254531711 1315720414 /nfs/dbraw/zinc/72/04/14/1315720414.db2.gz KSBCJRYEXQSUGV-HZPDHXFCSA-N 1 3 345.462 2.730 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1 ZINC001254531711 1315720417 /nfs/dbraw/zinc/72/04/17/1315720417.db2.gz KSBCJRYEXQSUGV-HZPDHXFCSA-N 1 3 345.462 2.730 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001254530962 1315720550 /nfs/dbraw/zinc/72/05/50/1315720550.db2.gz IJWJPXISVAULKN-SFHVURJKSA-N 1 3 330.476 2.757 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC001254530962 1315720553 /nfs/dbraw/zinc/72/05/53/1315720553.db2.gz IJWJPXISVAULKN-SFHVURJKSA-N 1 3 330.476 2.757 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254732552 1315742953 /nfs/dbraw/zinc/74/29/53/1315742953.db2.gz CYWDCOYZWCOKBW-CABCVRRESA-N 1 3 325.497 2.741 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH2+]CCCN1CCCC1)C2 ZINC001254754705 1315743751 /nfs/dbraw/zinc/74/37/51/1315743751.db2.gz SDCDXIKEXOZIGA-INIZCTEOSA-N 1 3 337.508 2.852 20 0 EFADHO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254860411 1315750952 /nfs/dbraw/zinc/75/09/52/1315750952.db2.gz METHEERKYJMUSB-NHCUHLMSSA-N 1 3 327.516 2.925 20 0 EFADHO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC2CCN(CC2)C1 ZINC001254860411 1315750954 /nfs/dbraw/zinc/75/09/54/1315750954.db2.gz METHEERKYJMUSB-NHCUHLMSSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254891300 1315755469 /nfs/dbraw/zinc/75/54/69/1315755469.db2.gz PDYSMNSUFIKZOM-HZMVEIRTSA-N 1 3 337.508 2.706 20 0 EFADHO [NH3+]C1(Cc2ccccc2F)CCN(C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254938455 1315761185 /nfs/dbraw/zinc/76/11/85/1315761185.db2.gz GJQPNZRKMDDVPH-HZPDHXFCSA-N 1 3 330.447 2.919 20 0 EFADHO COc1ccc(CC2([NH3+])CCN([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)CC2)cc1 ZINC001254942270 1315761633 /nfs/dbraw/zinc/76/16/33/1315761633.db2.gz VCJXEXDNCFZPMR-PIIMJCKOSA-N 1 3 342.483 2.789 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254965293 1315766901 /nfs/dbraw/zinc/76/69/01/1315766901.db2.gz WIIIYABBLARPKE-PMOLBWCYSA-N 1 3 349.563 2.874 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)N2CCCC2)C1 ZINC001039415727 1315776434 /nfs/dbraw/zinc/77/64/34/1315776434.db2.gz SUTIDZPDKGSMLU-GMNCBBECSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)N2CCCC2)C1 ZINC001039415727 1315776436 /nfs/dbraw/zinc/77/64/36/1315776436.db2.gz SUTIDZPDKGSMLU-GMNCBBECSA-N 1 3 347.547 2.972 20 0 EFADHO c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CN4CCC2CC4)C3)cc1 ZINC001255122640 1315778053 /nfs/dbraw/zinc/77/80/53/1315778053.db2.gz TUCGCTUXEYJQQZ-BURNTYAHSA-N 1 3 325.500 2.866 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422313 1315781104 /nfs/dbraw/zinc/78/11/04/1315781104.db2.gz CXEQJSXLAOXORK-CEXWTWQISA-N 1 3 333.520 2.869 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422313 1315781106 /nfs/dbraw/zinc/78/11/06/1315781106.db2.gz CXEQJSXLAOXORK-CEXWTWQISA-N 1 3 333.520 2.869 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CC[NH+](Cc1cccc(C)c1)CC2)N(C)C ZINC001050562988 1315782851 /nfs/dbraw/zinc/78/28/51/1315782851.db2.gz HMQPJKCXFIBIIB-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148759 1315782927 /nfs/dbraw/zinc/78/29/27/1315782927.db2.gz ZTARPZHSUBHMHJ-BWTSREIZSA-N 1 3 329.488 2.592 20 0 EFADHO CN(C)C(=O)CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148759 1315782930 /nfs/dbraw/zinc/78/29/30/1315782930.db2.gz ZTARPZHSUBHMHJ-BWTSREIZSA-N 1 3 329.488 2.592 20 0 EFADHO CCN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255148984 1315783832 /nfs/dbraw/zinc/78/38/32/1315783832.db2.gz DSMPXZPHOQLUAT-SSTJLMRISA-N 1 3 325.500 2.960 20 0 EFADHO CCN1C[C@@H]2C[C@H]1CN2[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255148984 1315783833 /nfs/dbraw/zinc/78/38/33/1315783833.db2.gz DSMPXZPHOQLUAT-SSTJLMRISA-N 1 3 325.500 2.960 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001050661704 1315791932 /nfs/dbraw/zinc/79/19/32/1315791932.db2.gz AZLKWHKXHGYWFA-GOSISDBHSA-N 1 3 345.531 2.753 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050663412 1315793754 /nfs/dbraw/zinc/79/37/54/1315793754.db2.gz UDMOEFPIJZCJHP-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](Cc1cccc(C)c1)CC2)N(C)C ZINC001050668031 1315796523 /nfs/dbraw/zinc/79/65/23/1315796523.db2.gz HMQPJKCXFIBIIB-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383898 1315814639 /nfs/dbraw/zinc/81/46/39/1315814639.db2.gz PKXMXAZACNDTON-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001039470126 1315814944 /nfs/dbraw/zinc/81/49/44/1315814944.db2.gz QSNHJHHZJOGFPV-AQNXPRMDSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001039470126 1315814948 /nfs/dbraw/zinc/81/49/48/1315814948.db2.gz QSNHJHHZJOGFPV-AQNXPRMDSA-N 1 3 341.499 2.512 20 0 EFADHO FCCn1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392764 1315815408 /nfs/dbraw/zinc/81/54/08/1315815408.db2.gz LBCIPCHCKJSFML-IBGZPJMESA-N 1 3 330.451 2.997 20 0 EFADHO FCCn1cc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)CC2)cn1 ZINC001255392765 1315815565 /nfs/dbraw/zinc/81/55/65/1315815565.db2.gz LBCIPCHCKJSFML-LJQANCHMSA-N 1 3 330.451 2.997 20 0 EFADHO Cc1nc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)CC2)no1 ZINC001255399451 1315818203 /nfs/dbraw/zinc/81/82/03/1315818203.db2.gz RZCDJAVKWIEMHC-GOSISDBHSA-N 1 3 328.460 2.907 20 0 EFADHO Cc1nc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)CC2)no1 ZINC001255399451 1315818204 /nfs/dbraw/zinc/81/82/04/1315818204.db2.gz RZCDJAVKWIEMHC-GOSISDBHSA-N 1 3 328.460 2.907 20 0 EFADHO O=C1NC[C@]2(CCC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407820 1315819460 /nfs/dbraw/zinc/81/94/60/1315819460.db2.gz FIOBDLIOPHCRIU-QUCCMNQESA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC[C@]2(CCC[N@H+]([C@@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407820 1315819463 /nfs/dbraw/zinc/81/94/63/1315819463.db2.gz FIOBDLIOPHCRIU-QUCCMNQESA-N 1 3 343.471 2.616 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@H]1CC[N@H+](C)C1)CC2 ZINC001255430642 1315822926 /nfs/dbraw/zinc/82/29/26/1315822926.db2.gz HEAIVGBWRDGOGR-DLBZAZTESA-N 1 3 349.544 2.508 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@H]1CC[N@@H+](C)C1)CC2 ZINC001255430642 1315822929 /nfs/dbraw/zinc/82/29/29/1315822929.db2.gz HEAIVGBWRDGOGR-DLBZAZTESA-N 1 3 349.544 2.508 20 0 EFADHO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001255442768 1315824287 /nfs/dbraw/zinc/82/42/87/1315824287.db2.gz CLWFLAXDUKXGRI-RTBURBONSA-N 1 3 331.504 2.686 20 0 EFADHO COc1ccc(CN2CCCC[C@@H]2C[N@@H+](C)[C@@H]2CCN(C)C2)cc1 ZINC001255442768 1315824290 /nfs/dbraw/zinc/82/42/90/1315824290.db2.gz CLWFLAXDUKXGRI-RTBURBONSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CCC[C@H](N(c2ncccc2C(F)(F)F)C2CC[NH2+]CC2)C1 ZINC001255493667 1315831633 /nfs/dbraw/zinc/83/16/33/1315831633.db2.gz ALIPKODAPGOJMO-AWEZNQCLSA-N 1 3 342.409 2.753 20 0 EFADHO CN1CCC[C@H](N(c2ccc(C(F)(F)F)cn2)C2CC[NH2+]CC2)C1 ZINC001255495911 1315832668 /nfs/dbraw/zinc/83/26/68/1315832668.db2.gz UUJGRZOMXHGOJE-HNNXBMFYSA-N 1 3 342.409 2.753 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1 ZINC001039488951 1315838503 /nfs/dbraw/zinc/83/85/03/1315838503.db2.gz GWAMJOWXLCOIQJ-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1 ZINC001039488951 1315838505 /nfs/dbraw/zinc/83/85/05/1315838505.db2.gz GWAMJOWXLCOIQJ-QGZVFWFLSA-N 1 3 347.547 2.974 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCOC(C)(C)C1)C2 ZINC001255545070 1315838989 /nfs/dbraw/zinc/83/89/89/1315838989.db2.gz OVNCNZCEVNKROG-QWFCFKBJSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCOC(C)(C)C1)C2 ZINC001255545070 1315838991 /nfs/dbraw/zinc/83/89/91/1315838991.db2.gz OVNCNZCEVNKROG-QWFCFKBJSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H](C)[NH+]1CCC2(C[C@@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001255574324 1315842364 /nfs/dbraw/zinc/84/23/64/1315842364.db2.gz RFKUFUFNXOZIPI-IEBWSBKVSA-N 1 3 332.488 2.777 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCN(CC3CCC3)CC2)C1 ZINC001255591780 1315845442 /nfs/dbraw/zinc/84/54/42/1315845442.db2.gz BBJGVGUNKBGJFD-KRWDZBQOSA-N 1 3 337.508 2.850 20 0 EFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001051306829 1315846822 /nfs/dbraw/zinc/84/68/22/1315846822.db2.gz SPGDKWCBCDQKOH-LJQANCHMSA-N 1 3 341.499 2.579 20 0 EFADHO CC(C)=CCN1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051306829 1315846826 /nfs/dbraw/zinc/84/68/26/1315846826.db2.gz SPGDKWCBCDQKOH-LJQANCHMSA-N 1 3 341.499 2.579 20 0 EFADHO COc1ccnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)c1 ZINC001255682475 1315858320 /nfs/dbraw/zinc/85/83/20/1315858320.db2.gz LNIRMNVMVPMVTC-IXEWLPCDSA-N 1 3 331.460 2.559 20 0 EFADHO COc1ccnc(O[C@@H]2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)c1 ZINC001255682475 1315858322 /nfs/dbraw/zinc/85/83/22/1315858322.db2.gz LNIRMNVMVPMVTC-IXEWLPCDSA-N 1 3 331.460 2.559 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255685540 1315858607 /nfs/dbraw/zinc/85/86/07/1315858607.db2.gz RWYVNTQYVXCBCH-VPEURPPWSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255685540 1315858610 /nfs/dbraw/zinc/85/86/10/1315858610.db2.gz RWYVNTQYVXCBCH-VPEURPPWSA-N 1 3 337.508 2.989 20 0 EFADHO Cc1cnc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)nc1 ZINC001255684399 1315858717 /nfs/dbraw/zinc/85/87/17/1315858717.db2.gz ZFBSILDZIXUNSS-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cnc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nc1 ZINC001255684399 1315858720 /nfs/dbraw/zinc/85/87/20/1315858720.db2.gz ZFBSILDZIXUNSS-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO CC(C)N([C@@H](C)CS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255808170 1315869287 /nfs/dbraw/zinc/86/92/87/1315869287.db2.gz NBWWAOQVGPOXEV-ULQDDVLXSA-N 1 3 338.517 2.829 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255940854 1315882850 /nfs/dbraw/zinc/88/28/50/1315882850.db2.gz HNSOLCUJYMQGGB-HZPDHXFCSA-N 1 3 327.513 2.953 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCc1ccccc1N1CCN(C)CC1 ZINC001255943384 1315883379 /nfs/dbraw/zinc/88/33/79/1315883379.db2.gz LXKUQFRHAHOWKP-SFHVURJKSA-N 1 3 332.536 2.648 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001255948809 1315883750 /nfs/dbraw/zinc/88/37/50/1315883750.db2.gz PVUQJPOWSHNZFA-LSDHHAIUSA-N 1 3 327.513 2.952 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@@H+]1C ZINC001039607358 1315884178 /nfs/dbraw/zinc/88/41/78/1315884178.db2.gz OJELTTRRLBKODA-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)CC[N@H+]1C ZINC001039607358 1315884182 /nfs/dbraw/zinc/88/41/82/1315884182.db2.gz OJELTTRRLBKODA-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001255954958 1315884416 /nfs/dbraw/zinc/88/44/16/1315884416.db2.gz LPUOVDIPDRPISN-QGZVFWFLSA-N 1 3 333.520 2.570 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CCc1ccc(CC(=O)N(C)C)cc1 ZINC001255954957 1315884530 /nfs/dbraw/zinc/88/45/30/1315884530.db2.gz LPUOVDIPDRPISN-KRWDZBQOSA-N 1 3 333.520 2.570 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001255960556 1315886023 /nfs/dbraw/zinc/88/60/23/1315886023.db2.gz SVJPDNWKNBOYOK-QRVBRYPASA-N 1 3 345.535 2.664 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001255960556 1315886027 /nfs/dbraw/zinc/88/60/27/1315886027.db2.gz SVJPDNWKNBOYOK-QRVBRYPASA-N 1 3 345.535 2.664 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1C[C@@H]2CN(c3ccc(C)nn3)CC[C@@H]2C1 ZINC001255960556 1315886029 /nfs/dbraw/zinc/88/60/29/1315886029.db2.gz SVJPDNWKNBOYOK-QRVBRYPASA-N 1 3 345.535 2.664 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961169 1315886132 /nfs/dbraw/zinc/88/61/32/1315886132.db2.gz VLENHNIWRYNWRM-XLIONFOSSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961169 1315886135 /nfs/dbraw/zinc/88/61/35/1315886135.db2.gz VLENHNIWRYNWRM-XLIONFOSSA-N 1 3 344.503 2.631 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961169 1315886137 /nfs/dbraw/zinc/88/61/37/1315886137.db2.gz VLENHNIWRYNWRM-XLIONFOSSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961172 1315886174 /nfs/dbraw/zinc/88/61/74/1315886174.db2.gz VLENHNIWRYNWRM-YLJYHZDGSA-N 1 3 344.503 2.631 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961172 1315886176 /nfs/dbraw/zinc/88/61/76/1315886176.db2.gz VLENHNIWRYNWRM-YLJYHZDGSA-N 1 3 344.503 2.631 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001255961172 1315886180 /nfs/dbraw/zinc/88/61/80/1315886180.db2.gz VLENHNIWRYNWRM-YLJYHZDGSA-N 1 3 344.503 2.631 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039621413 1315886825 /nfs/dbraw/zinc/88/68/25/1315886825.db2.gz VNDNLTIPBHFCPA-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039621413 1315886829 /nfs/dbraw/zinc/88/68/29/1315886829.db2.gz VNDNLTIPBHFCPA-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001255972427 1315887764 /nfs/dbraw/zinc/88/77/64/1315887764.db2.gz RIWAPGYKVVCCJD-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO [NH3+]C1(CC2CCC2)CCN(C2CCN(C(=O)C(F)(F)F)CC2)CC1 ZINC001255979652 1315888779 /nfs/dbraw/zinc/88/87/79/1315888779.db2.gz WPZXHJCKCQTDIP-UHFFFAOYSA-N 1 3 347.425 2.523 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CCCC1)C1CC1 ZINC001039644118 1315889282 /nfs/dbraw/zinc/88/92/82/1315889282.db2.gz NZWGJISEIRYGLL-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CCCC1)C1CC1 ZINC001039644118 1315889283 /nfs/dbraw/zinc/88/92/83/1315889283.db2.gz NZWGJISEIRYGLL-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO c1ccc(C[C@@H](CN2CCCC2)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC001256069887 1315898529 /nfs/dbraw/zinc/89/85/29/1315898529.db2.gz PPBOVCXBRMUJGO-FQEVSTJZSA-N 1 3 327.516 2.910 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C2CC[NH+](C3CC3)CC2)C1 ZINC001256083162 1315903249 /nfs/dbraw/zinc/90/32/49/1315903249.db2.gz QPVUQDHNTPQNRQ-LJQANCHMSA-N 1 3 337.508 2.850 20 0 EFADHO C[N@H+]1C[C@H]2CN([C@@H]3CCc4cccc(Br)c4C3)C[C@H]2C1 ZINC001256136753 1315908364 /nfs/dbraw/zinc/90/83/64/1315908364.db2.gz BGRGWEQYLLJKGM-QLFBSQMISA-N 1 3 335.289 2.800 20 0 EFADHO C[N@@H+]1C[C@H]2CN([C@@H]3CCc4cccc(Br)c4C3)C[C@H]2C1 ZINC001256136753 1315908367 /nfs/dbraw/zinc/90/83/67/1315908367.db2.gz BGRGWEQYLLJKGM-QLFBSQMISA-N 1 3 335.289 2.800 20 0 EFADHO CCOC(=O)N1CCC([NH2+]C2CCN(C(CC)CC)CC2)CC1 ZINC001256234947 1315921847 /nfs/dbraw/zinc/92/18/47/1315921847.db2.gz DDESAZBVQAMMEE-UHFFFAOYSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCC(F)(F)C2)CC[N@@H+]1Cc1ccccc1 ZINC001256528222 1315951823 /nfs/dbraw/zinc/95/18/23/1315951823.db2.gz CMHXXZLGLYJORU-WMZOPIPTSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@H]1C[C@@H](NCCN2CCC(F)(F)C2)CC[N@H+]1Cc1ccccc1 ZINC001256528222 1315951826 /nfs/dbraw/zinc/95/18/26/1315951826.db2.gz CMHXXZLGLYJORU-WMZOPIPTSA-N 1 3 337.458 2.970 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001256540794 1315953908 /nfs/dbraw/zinc/95/39/08/1315953908.db2.gz ZNAVMUQRBHZFGU-LSTHTHJFSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001256540794 1315953912 /nfs/dbraw/zinc/95/39/12/1315953912.db2.gz ZNAVMUQRBHZFGU-LSTHTHJFSA-N 1 3 325.456 2.758 20 0 EFADHO COCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553682 1315956871 /nfs/dbraw/zinc/95/68/71/1315956871.db2.gz JAMZJXCBJSVAJZ-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO COCCCN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001256553682 1315956873 /nfs/dbraw/zinc/95/68/73/1315956873.db2.gz JAMZJXCBJSVAJZ-CTNGQTDRSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001256554846 1315958062 /nfs/dbraw/zinc/95/80/62/1315958062.db2.gz MONWLISLLBXUBM-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(COC(=O)N3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256560707 1315958797 /nfs/dbraw/zinc/95/87/97/1315958797.db2.gz SPGYQPNNCRWAKU-FUHWJXTLSA-N 1 3 343.471 2.614 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(COC(=O)N3)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256560707 1315958799 /nfs/dbraw/zinc/95/87/99/1315958799.db2.gz SPGYQPNNCRWAKU-FUHWJXTLSA-N 1 3 343.471 2.614 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC001256564256 1315959889 /nfs/dbraw/zinc/95/98/89/1315959889.db2.gz VWKRPKDERWJTSN-LJQANCHMSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC001256565276 1315960052 /nfs/dbraw/zinc/96/00/52/1315960052.db2.gz CHFCTRDCXHHJIJ-GOSISDBHSA-N 1 3 329.488 2.754 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@H]2C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256564804 1315960144 /nfs/dbraw/zinc/96/01/44/1315960144.db2.gz UHGPHRVJNWLPTB-AWEZNQCLSA-N 1 3 345.487 2.974 20 0 EFADHO COc1ccc2c(c1)NC(=O)C[C@H]2CNC1CC[NH+](C(C)(C)C)CC1 ZINC001256564804 1315960145 /nfs/dbraw/zinc/96/01/45/1315960145.db2.gz UHGPHRVJNWLPTB-AWEZNQCLSA-N 1 3 345.487 2.974 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CCN1Cc1ccccc1 ZINC001256561300 1315960276 /nfs/dbraw/zinc/96/02/76/1315960276.db2.gz XCRVZQIIDDSXOO-CWJKEVGVSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CCN1Cc1ccccc1 ZINC001256561300 1315960280 /nfs/dbraw/zinc/96/02/80/1315960280.db2.gz XCRVZQIIDDSXOO-CWJKEVGVSA-N 1 3 327.516 2.923 20 0 EFADHO Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3C3CC[NH+](C(C)(C)C)CC3)O2)n1 ZINC001256574625 1315962541 /nfs/dbraw/zinc/96/25/41/1315962541.db2.gz YGXAQYCIBWTCOL-BRWVUGGUSA-N 1 3 348.491 2.935 20 0 EFADHO c1cc(CN2CCC(N3CC[NH+](C4CCCC4)CC3)CC2)ccn1 ZINC001256590127 1315965451 /nfs/dbraw/zinc/96/54/51/1315965451.db2.gz DAGRYZPKCGQKLQ-UHFFFAOYSA-N 1 3 328.504 2.606 20 0 EFADHO N=c1sc2c(n1C1CCN(Cc3ccccc3)CC1)CC[C@H]([NH3+])C2 ZINC001256598427 1315966913 /nfs/dbraw/zinc/96/69/13/1315966913.db2.gz ZAVVLNJLBJBKQZ-HNNXBMFYSA-N 1 3 342.512 2.682 20 0 EFADHO c1ncn(C2CCN(Cc3ccncc3)CC2)c1C1CC[NH2+]CC1 ZINC001256594631 1315967183 /nfs/dbraw/zinc/96/71/83/1315967183.db2.gz YMVBJMRUXHBTRG-UHFFFAOYSA-N 1 3 325.460 2.582 20 0 EFADHO Fc1ccc(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1F ZINC001256679027 1315980036 /nfs/dbraw/zinc/98/00/36/1315980036.db2.gz ZZTFSFLWEUPDBN-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO c1ccc2cc(C[NH2+]C3CCC(N4CCOCC4)CC3)ncc2c1 ZINC001256679550 1315980073 /nfs/dbraw/zinc/98/00/73/1315980073.db2.gz NTXBIKGCIXEEDD-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO Clc1cccc(OCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678857 1315980208 /nfs/dbraw/zinc/98/02/08/1315980208.db2.gz SQCVKXMKYLXPKN-UHFFFAOYSA-N 1 3 338.879 2.952 20 0 EFADHO Fc1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c(F)c1F ZINC001256678625 1315980298 /nfs/dbraw/zinc/98/02/98/1315980298.db2.gz PGBYEFCKJRPUIC-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO COc1ccccc1C1([NH2+]C2CCC(N3CCOCC3)CC2)CC1 ZINC001256680973 1315980634 /nfs/dbraw/zinc/98/06/34/1315980634.db2.gz HKKDWUFLMZSDBN-UHFFFAOYSA-N 1 3 330.472 2.917 20 0 EFADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)c1ccc(F)cn1 ZINC001256681536 1315980704 /nfs/dbraw/zinc/98/07/04/1315980704.db2.gz VIVNUIDBXPIPCX-UHFFFAOYSA-N 1 3 335.467 2.731 20 0 EFADHO [NH3+]CC[C@H]1CN(C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256682734 1315980993 /nfs/dbraw/zinc/98/09/93/1315980993.db2.gz OELWFMPCNZIZQG-AOCRQIFASA-N 1 3 329.488 2.582 20 0 EFADHO Cc1ccc(C(C)(C)C[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256681404 1315981047 /nfs/dbraw/zinc/98/10/47/1315981047.db2.gz TVHLNSFOPKZIAN-UHFFFAOYSA-N 1 3 331.504 2.901 20 0 EFADHO Fc1ncccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687187 1315981333 /nfs/dbraw/zinc/98/13/33/1315981333.db2.gz PIMNHYNXYKLOPR-LEOMRAHMSA-N 1 3 333.451 2.905 20 0 EFADHO COc1ncccc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687363 1315981352 /nfs/dbraw/zinc/98/13/52/1315981352.db2.gz SXUQGMKVJUSTFP-FAFZWHIHSA-N 1 3 345.487 2.774 20 0 EFADHO COc1ccc2c(c1)c(C[NH3+])cn2C1CCC(N2CCOCC2)CC1 ZINC001256683168 1315981427 /nfs/dbraw/zinc/98/14/27/1315981427.db2.gz USBRSWPBIKGAID-UHFFFAOYSA-N 1 3 343.471 2.925 20 0 EFADHO COc1cccnc1C(C)(C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256687178 1315981433 /nfs/dbraw/zinc/98/14/33/1315981433.db2.gz PAGITWYZXCBULV-UHFFFAOYSA-N 1 3 347.503 2.601 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256686748 1315981597 /nfs/dbraw/zinc/98/15/97/1315981597.db2.gz CUTLQZGQONKBOM-MYWSLZCHSA-N 1 3 345.487 2.939 20 0 EFADHO Fc1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683966 1315981640 /nfs/dbraw/zinc/98/16/40/1315981640.db2.gz JKAABXXGEQMOTD-HTWSVDAQSA-N 1 3 334.435 2.882 20 0 EFADHO c1cncc(CC2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256687604 1315982194 /nfs/dbraw/zinc/98/21/94/1315982194.db2.gz ZKLRDSRWUJLAFO-UHFFFAOYSA-N 1 3 329.488 2.637 20 0 EFADHO CC(C)(C)OC(=O)C(C)(C)C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256688441 1315982379 /nfs/dbraw/zinc/98/23/79/1315982379.db2.gz ZQEALZMBOUVMPY-UHFFFAOYSA-N 1 3 340.508 2.587 20 0 EFADHO C[C@H](Cc1ccncc1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001256720141 1315984777 /nfs/dbraw/zinc/98/47/77/1315984777.db2.gz BFWOCJXNPUZXTF-GOSISDBHSA-N 1 3 338.499 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256901565 1316006605 /nfs/dbraw/zinc/00/66/05/1316006605.db2.gz YCZSRTYROWLGGV-NVXWUHKLSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256901565 1316006609 /nfs/dbraw/zinc/00/66/09/1316006609.db2.gz YCZSRTYROWLGGV-NVXWUHKLSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914218 1316016246 /nfs/dbraw/zinc/01/62/46/1316016246.db2.gz JKXYAGHFLAVCQR-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914218 1316016250 /nfs/dbraw/zinc/01/62/50/1316016250.db2.gz JKXYAGHFLAVCQR-RSPOEFSDSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914217 1316016314 /nfs/dbraw/zinc/01/63/14/1316016314.db2.gz JKXYAGHFLAVCQR-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CCCC1 ZINC001039914217 1316016319 /nfs/dbraw/zinc/01/63/19/1316016319.db2.gz JKXYAGHFLAVCQR-LMCOJAPRSA-N 1 3 347.547 2.830 20 0 EFADHO CC[C@H]1C[C@@H](N2CCC(C)([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257117099 1316036043 /nfs/dbraw/zinc/03/60/43/1316036043.db2.gz MBLMMMPYLOAVBG-GJZGRUSLSA-N 1 3 325.497 2.978 20 0 EFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039969302 1316040650 /nfs/dbraw/zinc/04/06/50/1316040650.db2.gz CFTCGAKCFMZZET-BGYRXZFFSA-N 1 3 345.531 2.584 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC2)C1 ZINC001039972929 1316042949 /nfs/dbraw/zinc/04/29/49/1316042949.db2.gz YKRNEWJGKDWAIZ-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO O=C(N1C[C@H]2CCC[C@@H](C1)N2CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC001039974766 1316043878 /nfs/dbraw/zinc/04/38/78/1316043878.db2.gz MTCQOJVSJFAPBG-KDURUIRLSA-N 1 3 345.531 2.728 20 0 EFADHO CC(C)N1CCC([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001257216622 1316048090 /nfs/dbraw/zinc/04/80/90/1316048090.db2.gz FYUIVNLYSZWADP-BGYRXZFFSA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)N1CCC([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001257216622 1316048092 /nfs/dbraw/zinc/04/80/92/1316048092.db2.gz FYUIVNLYSZWADP-BGYRXZFFSA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)[NH+]1CCC(N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001257216652 1316048579 /nfs/dbraw/zinc/04/85/79/1316048579.db2.gz GRNDKUBXIYDFBP-HNNXBMFYSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(CCN(CC4CC4)C3=O)CC2)CC1 ZINC001257222975 1316048971 /nfs/dbraw/zinc/04/89/71/1316048971.db2.gz IMDHSOMUWLYFJZ-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001257224350 1316049934 /nfs/dbraw/zinc/04/99/34/1316049934.db2.gz YLWQWSYFGWSADM-OAQYLSRUSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001257224350 1316049936 /nfs/dbraw/zinc/04/99/36/1316049936.db2.gz YLWQWSYFGWSADM-OAQYLSRUSA-N 1 3 345.531 2.692 20 0 EFADHO CCC[C@@H](CC)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257257885 1316051237 /nfs/dbraw/zinc/05/12/37/1316051237.db2.gz AOYRLBHFFVIOCW-QGZVFWFLSA-N 1 3 334.508 2.868 20 0 EFADHO CCC[C@@H](CC)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257257885 1316051240 /nfs/dbraw/zinc/05/12/40/1316051240.db2.gz AOYRLBHFFVIOCW-QGZVFWFLSA-N 1 3 334.508 2.868 20 0 EFADHO CCC[C@H](CC)N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001257257884 1316051273 /nfs/dbraw/zinc/05/12/73/1316051273.db2.gz AOYRLBHFFVIOCW-KRWDZBQOSA-N 1 3 334.508 2.868 20 0 EFADHO CCC[C@H](CC)N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001257257884 1316051275 /nfs/dbraw/zinc/05/12/75/1316051275.db2.gz AOYRLBHFFVIOCW-KRWDZBQOSA-N 1 3 334.508 2.868 20 0 EFADHO CCC(CC)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001257286838 1316053425 /nfs/dbraw/zinc/05/34/25/1316053425.db2.gz LVQCIMXKCIVLRI-SFHVURJKSA-N 1 3 331.504 2.580 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001040014027 1316055036 /nfs/dbraw/zinc/05/50/36/1316055036.db2.gz CRYDFFBRNIBFQT-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001040014027 1316055038 /nfs/dbraw/zinc/05/50/38/1316055038.db2.gz CRYDFFBRNIBFQT-PBWTXFEYSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1)[NH+]1CCCC1 ZINC001040017183 1316056183 /nfs/dbraw/zinc/05/61/83/1316056183.db2.gz ADSNELPRRVADGN-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCN2C)CCN1C(=O)OC(C)(C)C ZINC001257645891 1316081693 /nfs/dbraw/zinc/08/16/93/1316081693.db2.gz ZHWJAVABJCFMBK-XHSDSOJGSA-N 1 3 325.497 2.848 20 0 EFADHO Cn1cc(CN2CCCC23CC[NH+]([C@@H]2CCCSC2)CC3)cn1 ZINC001257676237 1316085060 /nfs/dbraw/zinc/08/50/60/1316085060.db2.gz VAGSFWGBMDNTQR-QGZVFWFLSA-N 1 3 334.533 2.746 20 0 EFADHO C[C@H](CN)C[NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001257805671 1316094548 /nfs/dbraw/zinc/09/45/48/1316094548.db2.gz QVCZSEOSYRSUJU-IIDMSEBBSA-N 1 3 325.497 2.741 20 0 EFADHO COC(=O)C1CCC(N2CCC([NH3+])(Cc3ccccc3F)CC2)CC1 ZINC001257859512 1316097925 /nfs/dbraw/zinc/09/79/25/1316097925.db2.gz NJJIPAXNTWOVDR-UHFFFAOYSA-N 1 3 348.462 2.893 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccsc1)C2 ZINC001040114994 1316102426 /nfs/dbraw/zinc/10/24/26/1316102426.db2.gz MOQHNLTVIRUQRL-HKUYNNGSSA-N 1 3 347.528 2.657 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC001040114994 1316102428 /nfs/dbraw/zinc/10/24/28/1316102428.db2.gz MOQHNLTVIRUQRL-HKUYNNGSSA-N 1 3 347.528 2.657 20 0 EFADHO CC(C)CN1CCC([NH+]2CCC(NC(=O)C3CCCC3)CC2)CC1 ZINC001258014396 1316110580 /nfs/dbraw/zinc/11/05/80/1316110580.db2.gz IQOFWKXJDLNSMX-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CCC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258088272 1316118398 /nfs/dbraw/zinc/11/83/98/1316118398.db2.gz KSXGXEOHRYYPLN-SFHVURJKSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)=CCC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001258088272 1316118400 /nfs/dbraw/zinc/11/84/00/1316118400.db2.gz KSXGXEOHRYYPLN-SFHVURJKSA-N 1 3 345.531 2.945 20 0 EFADHO COC(=O)[C@H]1CN(C2CC[NH+](CCc3ccccc3)CC2)CC12CC2 ZINC001258149869 1316124810 /nfs/dbraw/zinc/12/48/10/1316124810.db2.gz RIQRFQKJUIINHV-LJQANCHMSA-N 1 3 342.483 2.579 20 0 EFADHO C[C@@H]1CC([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H](C)C1 ZINC001258158983 1316125524 /nfs/dbraw/zinc/12/55/24/1316125524.db2.gz HSFUDLHRUGCDSX-IRXDYDNUSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@@H]1CC([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H](C)C1 ZINC001258158983 1316125526 /nfs/dbraw/zinc/12/55/26/1316125526.db2.gz HSFUDLHRUGCDSX-IRXDYDNUSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@H]1CC([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H](C)C1 ZINC001258158982 1316125710 /nfs/dbraw/zinc/12/57/10/1316125710.db2.gz HSFUDLHRUGCDSX-IAGOWNOFSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@H]1CC([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@H](C)C1 ZINC001258158982 1316125712 /nfs/dbraw/zinc/12/57/12/1316125712.db2.gz HSFUDLHRUGCDSX-IAGOWNOFSA-N 1 3 345.531 2.635 20 0 EFADHO C[C@H](Cc1ccco1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001258176319 1316127890 /nfs/dbraw/zinc/12/78/90/1316127890.db2.gz PPJLFXFKRXYWFC-QGZVFWFLSA-N 1 3 327.472 2.748 20 0 EFADHO COc1ccc(CC[C@H](C)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001258405278 1316149012 /nfs/dbraw/zinc/14/90/12/1316149012.db2.gz BTEHHEJPYFTSKO-IBGZPJMESA-N 1 3 345.531 2.730 20 0 EFADHO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258447774 1316151235 /nfs/dbraw/zinc/15/12/35/1316151235.db2.gz XIXQAPKJZSLHIF-LPHOPBHVSA-N 1 3 343.515 2.580 20 0 EFADHO CCOC(=O)CC[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC001258483201 1316154269 /nfs/dbraw/zinc/15/42/69/1316154269.db2.gz KTIUTHCVXDYYQV-INIZCTEOSA-N 1 3 333.476 2.615 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236745 1316158214 /nfs/dbraw/zinc/15/82/14/1316158214.db2.gz PAZWCKDZVSHAMC-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236745 1316158216 /nfs/dbraw/zinc/15/82/16/1316158216.db2.gz PAZWCKDZVSHAMC-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240757 1316160125 /nfs/dbraw/zinc/16/01/25/1316160125.db2.gz JBAMVSGAWDSDHZ-AZUAARDMSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240757 1316160128 /nfs/dbraw/zinc/16/01/28/1316160128.db2.gz JBAMVSGAWDSDHZ-AZUAARDMSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040242499 1316162179 /nfs/dbraw/zinc/16/21/79/1316162179.db2.gz YIDBGNXULVRCFZ-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040242499 1316162181 /nfs/dbraw/zinc/16/21/81/1316162181.db2.gz YIDBGNXULVRCFZ-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241891 1316162333 /nfs/dbraw/zinc/16/23/33/1316162333.db2.gz VGJQMXDZLVELIZ-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241891 1316162335 /nfs/dbraw/zinc/16/23/35/1316162335.db2.gz VGJQMXDZLVELIZ-XLIONFOSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1C[C@H]([N@@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699531 1316172495 /nfs/dbraw/zinc/17/24/95/1316172495.db2.gz WBNMWFVFMAQJTR-WBVHZDCISA-N 1 3 346.519 2.725 20 0 EFADHO C[C@@H]1C[C@H]([N@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699531 1316172497 /nfs/dbraw/zinc/17/24/97/1316172497.db2.gz WBNMWFVFMAQJTR-WBVHZDCISA-N 1 3 346.519 2.725 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccsc1)C2)N(C)C ZINC001040263087 1316173205 /nfs/dbraw/zinc/17/32/05/1316173205.db2.gz XQJJHKLQPKHEJX-IEBWSBKVSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2)N(C)C ZINC001040263087 1316173206 /nfs/dbraw/zinc/17/32/06/1316173206.db2.gz XQJJHKLQPKHEJX-IEBWSBKVSA-N 1 3 349.544 2.903 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC1 ZINC001258770155 1316175725 /nfs/dbraw/zinc/17/57/25/1316175725.db2.gz TZDBMMHCONEBQI-SFHVURJKSA-N 1 3 333.451 2.504 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC001258770183 1316175847 /nfs/dbraw/zinc/17/58/47/1316175847.db2.gz GAZCMLUVXMWASX-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 ZINC001258771213 1316176144 /nfs/dbraw/zinc/17/61/44/1316176144.db2.gz YETNDJRNJABTBE-RYQLBKOJSA-N 1 3 349.519 2.872 20 0 EFADHO CCCN1CCC([NH+]2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)CC1 ZINC001258772865 1316176428 /nfs/dbraw/zinc/17/64/28/1316176428.db2.gz ZMJZVGWPOWXLTC-IAGOWNOFSA-N 1 3 333.545 2.986 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2OC)CC1 ZINC001258771453 1316176906 /nfs/dbraw/zinc/17/69/06/1316176906.db2.gz CHEAJWYSTGEGBA-RTWAWAEBSA-N 1 3 345.531 2.740 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)CC1 ZINC001258774094 1316177227 /nfs/dbraw/zinc/17/72/27/1316177227.db2.gz VKKBWLCKMMNXDF-UFYCRDLUSA-N 1 3 345.487 2.567 20 0 EFADHO CCC[NH+]1CCC(N2CCC3(CCN(CC4CC4)C3=O)CC2)CC1 ZINC001258776655 1316178053 /nfs/dbraw/zinc/17/80/53/1316178053.db2.gz FICWDHDCSKUXEL-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CC[C@H]2CCCN2C)cc(OC)c1OC ZINC001258855396 1316185050 /nfs/dbraw/zinc/18/50/50/1316185050.db2.gz AAVCUYPBTDZRJW-GOEBONIOSA-N 1 3 336.476 2.717 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CCCN2CCCC2)cc(OC)c1OC ZINC001258852591 1316185067 /nfs/dbraw/zinc/18/50/67/1316185067.db2.gz LCMBLXMVIIZZJX-HNNXBMFYSA-N 1 3 336.476 2.719 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381905839 1316198715 /nfs/dbraw/zinc/19/87/15/1316198715.db2.gz XWMYGQSCFTXXIQ-PMPSAXMXSA-N 1 3 327.513 2.857 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C)CN(C)C ZINC000381905831 1316198846 /nfs/dbraw/zinc/19/88/46/1316198846.db2.gz XWMYGQSCFTXXIQ-BZUAXINKSA-N 1 3 327.513 2.857 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC001040393763 1316239801 /nfs/dbraw/zinc/23/98/01/1316239801.db2.gz FSHGYBWIKOHXQU-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001040393763 1316239803 /nfs/dbraw/zinc/23/98/03/1316239803.db2.gz FSHGYBWIKOHXQU-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC(F)(F)F)C2)N(C)C ZINC001040399412 1316243557 /nfs/dbraw/zinc/24/35/57/1316243557.db2.gz OFRDRIPQYCPSBV-GOEBONIOSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC(F)(F)F)C2)N(C)C ZINC001040399412 1316243559 /nfs/dbraw/zinc/24/35/59/1316243559.db2.gz OFRDRIPQYCPSBV-GOEBONIOSA-N 1 3 349.441 2.594 20 0 EFADHO CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423342 1316256290 /nfs/dbraw/zinc/25/62/90/1316256290.db2.gz SCXWPWBRRWSEPZ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO CCC(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040423342 1316256294 /nfs/dbraw/zinc/25/62/94/1316256294.db2.gz SCXWPWBRRWSEPZ-IBGZPJMESA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530815 1316310355 /nfs/dbraw/zinc/31/03/55/1316310355.db2.gz JOKXKPPJPGUJIP-IEBWSBKVSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530815 1316310356 /nfs/dbraw/zinc/31/03/56/1316310356.db2.gz JOKXKPPJPGUJIP-IEBWSBKVSA-N 1 3 347.528 2.514 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040542890 1316315128 /nfs/dbraw/zinc/31/51/28/1316315128.db2.gz FOHXYNKJSSIQMK-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040542890 1316315129 /nfs/dbraw/zinc/31/51/29/1316315129.db2.gz FOHXYNKJSSIQMK-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040544802 1316316379 /nfs/dbraw/zinc/31/63/79/1316316379.db2.gz JVBWIOILBVYMPS-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040544802 1316316383 /nfs/dbraw/zinc/31/63/83/1316316383.db2.gz JVBWIOILBVYMPS-PZJWPPBQSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040544800 1316317051 /nfs/dbraw/zinc/31/70/51/1316317051.db2.gz JVBWIOILBVYMPS-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040544800 1316317053 /nfs/dbraw/zinc/31/70/53/1316317053.db2.gz JVBWIOILBVYMPS-CTNGQTDRSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](CCC2CC2)CC3)CCC1 ZINC001040727549 1316361312 /nfs/dbraw/zinc/36/13/12/1316361312.db2.gz SLHQFANGEQZMEI-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040727144 1316361338 /nfs/dbraw/zinc/36/13/38/1316361338.db2.gz PEUYECCZLYIDPY-GOSISDBHSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729383 1316361432 /nfs/dbraw/zinc/36/14/32/1316361432.db2.gz IWYVMMVMGWRZAD-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(C2)CC[NH+](CC2CCCC2)CC3)CCC1 ZINC001040727972 1316361556 /nfs/dbraw/zinc/36/15/56/1316361556.db2.gz XQCFKJFOYZMNOO-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040730568 1316361947 /nfs/dbraw/zinc/36/19/47/1316361947.db2.gz WJEZZXJJEPKHPG-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040730184 1316362121 /nfs/dbraw/zinc/36/21/21/1316362121.db2.gz SHSFRLCDSADIQA-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]2C)c1 ZINC001072369117 1316378143 /nfs/dbraw/zinc/37/81/43/1316378143.db2.gz LRRXMABGCSQNRD-AEFFLSMTSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC[C@@H](C)F)CC2)N(C)C ZINC001040835062 1316385222 /nfs/dbraw/zinc/38/52/22/1316385222.db2.gz HFERHPUHXITLCA-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001040847163 1316388190 /nfs/dbraw/zinc/38/81/90/1316388190.db2.gz IUJCKZNEOHIZNP-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001040848140 1316388582 /nfs/dbraw/zinc/38/85/82/1316388582.db2.gz DYUWFYXZXLLWJY-SFHVURJKSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849065 1316388619 /nfs/dbraw/zinc/38/86/19/1316388619.db2.gz OHXBPJWTBXRDHJ-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849730 1316388689 /nfs/dbraw/zinc/38/86/89/1316388689.db2.gz VMHLLEBQGVSGIX-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849456 1316388716 /nfs/dbraw/zinc/38/87/16/1316388716.db2.gz SCJQOFBAVZGAFU-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849454 1316388736 /nfs/dbraw/zinc/38/87/36/1316388736.db2.gz SCJQOFBAVZGAFU-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849455 1316388861 /nfs/dbraw/zinc/38/88/61/1316388861.db2.gz SCJQOFBAVZGAFU-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040849066 1316388915 /nfs/dbraw/zinc/38/89/15/1316388915.db2.gz OHXBPJWTBXRDHJ-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001040853037 1316389223 /nfs/dbraw/zinc/38/92/23/1316389223.db2.gz HNXYKPRURLOJPB-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001040870115 1316393068 /nfs/dbraw/zinc/39/30/68/1316393068.db2.gz UJXQJVFHEQESAZ-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CC1)CC2 ZINC001040874416 1316394272 /nfs/dbraw/zinc/39/42/72/1316394272.db2.gz GFEAYMHBMURYEJ-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCc1ccsc1)C2)N(C)C ZINC001072991128 1316427730 /nfs/dbraw/zinc/42/77/30/1316427730.db2.gz NNFNJAGDSCZENS-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCc1ccsc1)C2)N(C)C ZINC001072991128 1316427731 /nfs/dbraw/zinc/42/77/31/1316427731.db2.gz NNFNJAGDSCZENS-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035887 1316431300 /nfs/dbraw/zinc/43/13/00/1316431300.db2.gz XXVDKSYGZZPIKY-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001073035887 1316431303 /nfs/dbraw/zinc/43/13/03/1316431303.db2.gz XXVDKSYGZZPIKY-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)CCNC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC001262569991 1316473058 /nfs/dbraw/zinc/47/30/58/1316473058.db2.gz KOPSYWLOAIZRLK-SFHVURJKSA-N 1 3 329.488 2.751 20 0 EFADHO CN(C(=O)CCNC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC001262569991 1316473059 /nfs/dbraw/zinc/47/30/59/1316473059.db2.gz KOPSYWLOAIZRLK-SFHVURJKSA-N 1 3 329.488 2.751 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001073970338 1316484736 /nfs/dbraw/zinc/48/47/36/1316484736.db2.gz KPADFYZIHSKQEE-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001073970338 1316484737 /nfs/dbraw/zinc/48/47/37/1316484737.db2.gz KPADFYZIHSKQEE-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001074024038 1316489870 /nfs/dbraw/zinc/48/98/70/1316489870.db2.gz VBODGDHLWJPBCM-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001074024038 1316489872 /nfs/dbraw/zinc/48/98/72/1316489872.db2.gz VBODGDHLWJPBCM-FAFZWHIHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N1CCCCC1 ZINC001041288131 1316504528 /nfs/dbraw/zinc/50/45/28/1316504528.db2.gz UVKVNHSIIWRCQO-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N1CCCCC1 ZINC001041288131 1316504532 /nfs/dbraw/zinc/50/45/32/1316504532.db2.gz UVKVNHSIIWRCQO-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565049 1316525439 /nfs/dbraw/zinc/52/54/39/1316525439.db2.gz PIMFAXUDJCNURX-JCGIZDLHSA-N 1 3 349.906 2.556 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356491 1316525652 /nfs/dbraw/zinc/52/56/52/1316525652.db2.gz YGIJISWCRYAFJA-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001041356491 1316525655 /nfs/dbraw/zinc/52/56/55/1316525655.db2.gz YGIJISWCRYAFJA-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CCC1 ZINC001041359164 1316528043 /nfs/dbraw/zinc/52/80/43/1316528043.db2.gz SUIISKHUUCVKGH-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CCC1 ZINC001041359164 1316528044 /nfs/dbraw/zinc/52/80/44/1316528044.db2.gz SUIISKHUUCVKGH-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359156 1316528071 /nfs/dbraw/zinc/52/80/71/1316528071.db2.gz SOISRWQFDAVYCI-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359156 1316528073 /nfs/dbraw/zinc/52/80/73/1316528073.db2.gz SOISRWQFDAVYCI-FQEVSTJZSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)[C@H]1C ZINC001074877815 1316539233 /nfs/dbraw/zinc/53/92/33/1316539233.db2.gz NWKHEYJGSLYHJW-BJLQDIEVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)c1 ZINC001074878490 1316539282 /nfs/dbraw/zinc/53/92/82/1316539282.db2.gz ZJIDPBIZCRZMNW-BXWFABGCSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C)c1 ZINC001074878490 1316539284 /nfs/dbraw/zinc/53/92/84/1316539284.db2.gz ZJIDPBIZCRZMNW-BXWFABGCSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)[C@@H]2C)C1 ZINC001074878414 1316539314 /nfs/dbraw/zinc/53/93/14/1316539314.db2.gz SRNRFMXUNNGBKS-VKJFTORMSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccc(CF)cc3)[C@@H]2C)C1 ZINC001074878463 1316539442 /nfs/dbraw/zinc/53/94/42/1316539442.db2.gz XREWYNBOBGLPSQ-BXWFABGCSA-N 1 3 347.478 2.577 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041402874 1316540998 /nfs/dbraw/zinc/54/09/98/1316540998.db2.gz KIOHJSZMMUHAHM-MJGOQNOKSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCc3cccs3)C2)C1)N(C)C ZINC001041402874 1316541000 /nfs/dbraw/zinc/54/10/00/1316541000.db2.gz KIOHJSZMMUHAHM-MJGOQNOKSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041404720 1316542020 /nfs/dbraw/zinc/54/20/20/1316542020.db2.gz VKQUNRTZAZBXTN-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041404720 1316542023 /nfs/dbraw/zinc/54/20/23/1316542023.db2.gz VKQUNRTZAZBXTN-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041404472 1316542253 /nfs/dbraw/zinc/54/22/53/1316542253.db2.gz UBKVIVQBILICBT-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041404472 1316542256 /nfs/dbraw/zinc/54/22/56/1316542256.db2.gz UBKVIVQBILICBT-TZIWHRDSSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041407853 1316543406 /nfs/dbraw/zinc/54/34/06/1316543406.db2.gz RVUMQOLXPHKXQC-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041407853 1316543407 /nfs/dbraw/zinc/54/34/07/1316543407.db2.gz RVUMQOLXPHKXQC-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041407848 1316543441 /nfs/dbraw/zinc/54/34/41/1316543441.db2.gz RVUMQOLXPHKXQC-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041407848 1316543444 /nfs/dbraw/zinc/54/34/44/1316543444.db2.gz RVUMQOLXPHKXQC-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1Cl ZINC001491567836 1316560167 /nfs/dbraw/zinc/56/01/67/1316560167.db2.gz HXVWXNYGELYBAX-KGLIPLIRSA-N 1 3 337.895 2.837 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041645557 1316632968 /nfs/dbraw/zinc/63/29/68/1316632968.db2.gz LJNMVIOKCGDSCD-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)C1 ZINC001041645557 1316632970 /nfs/dbraw/zinc/63/29/70/1316632970.db2.gz LJNMVIOKCGDSCD-QUCCMNQESA-N 1 3 337.552 2.933 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001041667747 1316641811 /nfs/dbraw/zinc/64/18/11/1316641811.db2.gz HLFNAORDSBHCLM-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001041667747 1316641815 /nfs/dbraw/zinc/64/18/15/1316641815.db2.gz HLFNAORDSBHCLM-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001041672359 1316643648 /nfs/dbraw/zinc/64/36/48/1316643648.db2.gz BICMAZVKCKQMLC-RXVVDRJESA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001041672359 1316643651 /nfs/dbraw/zinc/64/36/51/1316643651.db2.gz BICMAZVKCKQMLC-RXVVDRJESA-N 1 3 341.499 2.595 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@]3(CCN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC001041673034 1316643900 /nfs/dbraw/zinc/64/39/00/1316643900.db2.gz SIMAOSMMYJRHTE-NGICGMGXSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@]3(CCN(C(=O)CN4CCC(C)(C)C4)C3)C2)C1 ZINC001041673034 1316643902 /nfs/dbraw/zinc/64/39/02/1316643902.db2.gz SIMAOSMMYJRHTE-NGICGMGXSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041676647 1316645471 /nfs/dbraw/zinc/64/54/71/1316645471.db2.gz YXOJSPRHSDYVGH-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041676647 1316645473 /nfs/dbraw/zinc/64/54/73/1316645473.db2.gz YXOJSPRHSDYVGH-PXNSSMCTSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677354 1316645665 /nfs/dbraw/zinc/64/56/65/1316645665.db2.gz AWQBWNTVBNVREH-UTKZUKDTSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677354 1316645668 /nfs/dbraw/zinc/64/56/68/1316645668.db2.gz AWQBWNTVBNVREH-UTKZUKDTSA-N 1 3 347.547 2.689 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041681037 1316646906 /nfs/dbraw/zinc/64/69/06/1316646906.db2.gz WUTVYEMIENNXGP-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001041681037 1316646907 /nfs/dbraw/zinc/64/69/07/1316646907.db2.gz WUTVYEMIENNXGP-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681219 1316646919 /nfs/dbraw/zinc/64/69/19/1316646919.db2.gz ZEPUNGFMUFNUAL-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681219 1316646921 /nfs/dbraw/zinc/64/69/21/1316646921.db2.gz ZEPUNGFMUFNUAL-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681218 1316646955 /nfs/dbraw/zinc/64/69/55/1316646955.db2.gz ZEPUNGFMUFNUAL-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC(C)(C)C)C3)C2)C1 ZINC001041681218 1316646957 /nfs/dbraw/zinc/64/69/57/1316646957.db2.gz ZEPUNGFMUFNUAL-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041688326 1316648133 /nfs/dbraw/zinc/64/81/33/1316648133.db2.gz UNNOEKNYPKKUHC-RXVVDRJESA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041688326 1316648136 /nfs/dbraw/zinc/64/81/36/1316648136.db2.gz UNNOEKNYPKKUHC-RXVVDRJESA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCC(C[N@@H+]2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC001041712814 1316658078 /nfs/dbraw/zinc/65/80/78/1316658078.db2.gz XDACPTZKPBCBES-LBXVMSDZSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CCC(C[N@H+]2CC[C@@]3(CCN(C(=O)Cc4c[nH]cn4)C3)C2)CC1 ZINC001041712814 1316658080 /nfs/dbraw/zinc/65/80/80/1316658080.db2.gz XDACPTZKPBCBES-LBXVMSDZSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001041712802 1316658109 /nfs/dbraw/zinc/65/81/09/1316658109.db2.gz WXPYHTGRNGYDQC-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC001041712802 1316658110 /nfs/dbraw/zinc/65/81/10/1316658110.db2.gz WXPYHTGRNGYDQC-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786290 1316697725 /nfs/dbraw/zinc/69/77/25/1316697725.db2.gz UDKMYRHARVWXKS-VQIMIIECSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2)C1 ZINC001041786290 1316697727 /nfs/dbraw/zinc/69/77/27/1316697727.db2.gz UDKMYRHARVWXKS-VQIMIIECSA-N 1 3 347.528 2.514 20 0 EFADHO CC[C@H](C(=O)NCCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001265060024 1316705995 /nfs/dbraw/zinc/70/59/95/1316705995.db2.gz TTXXIHVJAIBYMJ-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CC[C@H](C(=O)NCCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001265060024 1316705997 /nfs/dbraw/zinc/70/59/97/1316705997.db2.gz TTXXIHVJAIBYMJ-RTBURBONSA-N 1 3 349.494 2.981 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041844653 1316730539 /nfs/dbraw/zinc/73/05/39/1316730539.db2.gz BWOZOCNMQPWZKT-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041844653 1316730542 /nfs/dbraw/zinc/73/05/42/1316730542.db2.gz BWOZOCNMQPWZKT-QUCCMNQESA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844808 1316730908 /nfs/dbraw/zinc/73/09/08/1316730908.db2.gz OGKDZDMVRSJJLG-FQEVSTJZSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844808 1316730910 /nfs/dbraw/zinc/73/09/10/1316730910.db2.gz OGKDZDMVRSJJLG-FQEVSTJZSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845069 1316731503 /nfs/dbraw/zinc/73/15/03/1316731503.db2.gz SDQZWRGXNUMOKN-NRFANRHFSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845069 1316731504 /nfs/dbraw/zinc/73/15/04/1316731504.db2.gz SDQZWRGXNUMOKN-NRFANRHFSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041845070 1316731604 /nfs/dbraw/zinc/73/16/04/1316731604.db2.gz SDQZWRGXNUMOKN-OAQYLSRUSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041845070 1316731606 /nfs/dbraw/zinc/73/16/06/1316731606.db2.gz SDQZWRGXNUMOKN-OAQYLSRUSA-N 1 3 341.499 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001265941606 1316922413 /nfs/dbraw/zinc/92/24/13/1316922413.db2.gz DPLDIEKMGZVRRE-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1)N1CCCC1 ZINC001042186437 1316940277 /nfs/dbraw/zinc/94/02/77/1316940277.db2.gz HHILHSKCHOJQCV-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1)N1CCCC1 ZINC001042186437 1316940281 /nfs/dbraw/zinc/94/02/81/1316940281.db2.gz HHILHSKCHOJQCV-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042366754 1317221144 /nfs/dbraw/zinc/22/11/44/1317221144.db2.gz XTWPPLOJPQLYBP-ICSRJNTNSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001042366754 1317221152 /nfs/dbraw/zinc/22/11/52/1317221152.db2.gz XTWPPLOJPQLYBP-ICSRJNTNSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369690 1317225632 /nfs/dbraw/zinc/22/56/32/1317225632.db2.gz ZZCZPOQEQDBJLD-XLIONFOSSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042369690 1317225639 /nfs/dbraw/zinc/22/56/39/1317225639.db2.gz ZZCZPOQEQDBJLD-XLIONFOSSA-N 1 3 343.515 2.941 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@H+](Cc2cc(C)sc2C)CC1)N(C)C ZINC001279675255 1317354964 /nfs/dbraw/zinc/35/49/64/1317354964.db2.gz CGJCDPDYIWBQME-GOSISDBHSA-N 1 3 349.544 2.953 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2cc(C)sc2C)CC1)N(C)C ZINC001279675255 1317354971 /nfs/dbraw/zinc/35/49/71/1317354971.db2.gz CGJCDPDYIWBQME-GOSISDBHSA-N 1 3 349.544 2.953 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CCc1ccccc1)N(C)C ZINC001319787631 1328989398 /nfs/dbraw/zinc/98/93/98/1328989398.db2.gz HDPZMHUGTWOJAF-PMACEKPBSA-N 1 3 345.531 2.930 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001492215435 1324355576 /nfs/dbraw/zinc/35/55/76/1324355576.db2.gz USEVQOJPYCORHU-SFHVURJKSA-N 1 3 331.504 2.626 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001492215435 1324355583 /nfs/dbraw/zinc/35/55/83/1324355583.db2.gz USEVQOJPYCORHU-SFHVURJKSA-N 1 3 331.504 2.626 20 0 EFADHO Cc1cc(C)c(CN(C)CCNC(=O)C23CCC[NH+]2CCC3)c(C)c1 ZINC001492320722 1324419167 /nfs/dbraw/zinc/41/91/67/1324419167.db2.gz BMWSSGGCVWYJFW-UHFFFAOYSA-N 1 3 343.515 2.788 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)Cc2cccc(C(F)F)c2)C1 ZINC001492421065 1324499847 /nfs/dbraw/zinc/49/98/47/1324499847.db2.gz HDRGRXMFPGVYPN-CQSZACIVSA-N 1 3 339.430 2.514 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)Cc2cccc(C(F)F)c2)C1 ZINC001492421065 1324499849 /nfs/dbraw/zinc/49/98/49/1324499849.db2.gz HDRGRXMFPGVYPN-CQSZACIVSA-N 1 3 339.430 2.514 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001317655647 1328243685 /nfs/dbraw/zinc/24/36/85/1328243685.db2.gz UOFDFJPCKVCBIB-HXUWFJFHSA-N 1 3 341.499 2.771 20 0 EFADHO CC[N@H+](CCCF)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001381260024 1348170198 /nfs/dbraw/zinc/17/01/98/1348170198.db2.gz XWHTVFUDKLHLOB-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@@H+](CCCF)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001381260024 1348170203 /nfs/dbraw/zinc/17/02/03/1348170203.db2.gz XWHTVFUDKLHLOB-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001381622608 1348412023 /nfs/dbraw/zinc/41/20/23/1348412023.db2.gz IJUUNJLGGHXEKO-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](N)C3CCCCC3)cc2)CC1 ZINC001326408424 1329753771 /nfs/dbraw/zinc/75/37/71/1329753771.db2.gz KNAODYGGZDJJQZ-LJQANCHMSA-N 1 3 344.503 2.675 20 0 EFADHO C[N@H+]1CCCN(c2ccc(NC(=O)[C@H](N)C3CCCCC3)cc2)CC1 ZINC001326408424 1329753772 /nfs/dbraw/zinc/75/37/72/1329753772.db2.gz KNAODYGGZDJJQZ-LJQANCHMSA-N 1 3 344.503 2.675 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1)N(C)C ZINC001382158878 1348780140 /nfs/dbraw/zinc/78/01/40/1348780140.db2.gz KOTZZONHSDHEBO-AEFFLSMTSA-N 1 3 325.541 2.980 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc4n[nH]cc43)c2)CC1 ZINC001329008870 1330656624 /nfs/dbraw/zinc/65/66/24/1330656624.db2.gz NOLDHWFSMJKRIS-UHFFFAOYSA-N 1 3 349.482 2.600 20 0 EFADHO CON(C)C(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001329140134 1330673039 /nfs/dbraw/zinc/67/30/39/1330673039.db2.gz CXTIZYMUNLRREA-YQQQUEKLSA-N 1 3 345.487 2.572 20 0 EFADHO CON(C)C(=O)CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001329140134 1330673041 /nfs/dbraw/zinc/67/30/41/1330673041.db2.gz CXTIZYMUNLRREA-YQQQUEKLSA-N 1 3 345.487 2.572 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001333731488 1331204256 /nfs/dbraw/zinc/20/42/56/1331204256.db2.gz CATKBSWALXFODI-MOPGFXCFSA-N 1 3 344.503 2.673 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001333731488 1331204259 /nfs/dbraw/zinc/20/42/59/1331204259.db2.gz CATKBSWALXFODI-MOPGFXCFSA-N 1 3 344.503 2.673 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC001334174172 1331260149 /nfs/dbraw/zinc/26/01/49/1331260149.db2.gz VCVJWYMTMFHYCY-QAPCUYQASA-N 1 3 334.508 2.524 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]CCC(=O)N(C)c2ccccc2)C[C@H](C)O1 ZINC001336762792 1331500555 /nfs/dbraw/zinc/50/05/55/1331500555.db2.gz ISORDWLRUNDYEN-ROUUACIJSA-N 1 3 347.503 2.519 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC001338289301 1331686253 /nfs/dbraw/zinc/68/62/53/1331686253.db2.gz OANZJLSCICKHBT-LJQANCHMSA-N 1 3 347.503 2.727 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@@H](C)[C@@H]2CN(C)CCN2C)c1C ZINC001339814579 1332104225 /nfs/dbraw/zinc/10/42/25/1332104225.db2.gz COPRWTIYUZERNN-KXBFYZLASA-N 1 3 326.488 2.574 20 0 EFADHO CN(C[C@@H]1CCN1Cc1ccccc1C1CC1)C(=O)CCC[NH+](C)C ZINC001479240259 1332313782 /nfs/dbraw/zinc/31/37/82/1332313782.db2.gz DNTQBCGEVBCFSR-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCCCCCC[NH3+] ZINC001345781308 1332572490 /nfs/dbraw/zinc/57/24/90/1332572490.db2.gz QPTIMTLOLKRGKS-SFHVURJKSA-N 1 3 346.519 2.812 20 0 EFADHO O[C@@H](C[NH2+]CCc1nc(C2CCCCC2)cs1)CN1CCCC1 ZINC001346224261 1332613935 /nfs/dbraw/zinc/61/39/35/1332613935.db2.gz GLGDBVWSDBJANR-INIZCTEOSA-N 1 3 337.533 2.780 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911215 1333717127 /nfs/dbraw/zinc/71/71/27/1333717127.db2.gz NBSIZDDYFONECQ-MSOLQXFVSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@@H](F)CN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911215 1333717129 /nfs/dbraw/zinc/71/71/29/1333717129.db2.gz NBSIZDDYFONECQ-MSOLQXFVSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)N1CCCC1 ZINC001100562261 1334293483 /nfs/dbraw/zinc/29/34/83/1334293483.db2.gz GSFVVCSDGNXGIR-UHFFFAOYSA-N 1 3 333.520 2.846 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CCc2ccccc2)C1)N1CCCC1 ZINC001100562223 1334293525 /nfs/dbraw/zinc/29/35/25/1334293525.db2.gz FGXHLIDQZUIYII-UHFFFAOYSA-N 1 3 343.515 2.588 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1CC(NCc2sccc2Cl)C1 ZINC001100620128 1334417142 /nfs/dbraw/zinc/41/71/42/1334417142.db2.gz WUXIMZNUVILQLD-UHFFFAOYSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001100647341 1334482201 /nfs/dbraw/zinc/48/22/01/1334482201.db2.gz PHMMQWNJZSKAOF-OFLPRAFFSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]C/C=C\c2ccccc2)C1 ZINC001100673892 1334545590 /nfs/dbraw/zinc/54/55/90/1334545590.db2.gz DHMBYUMRSUGUSR-XTIXJULZSA-N 1 3 341.499 2.669 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)cc1F ZINC001100675902 1334549749 /nfs/dbraw/zinc/54/97/49/1334549749.db2.gz BYQSTMOBDKZDPH-FAEJEUNOSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CC(CNC(=O)CN2CCC[C@H]2C)C1 ZINC001100676128 1334549793 /nfs/dbraw/zinc/54/97/93/1334549793.db2.gz IBSFTFWFJAQSSM-MDCZIUGASA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC001100675955 1334550180 /nfs/dbraw/zinc/55/01/80/1334550180.db2.gz DTWZECJDGBDPSD-ZJRDLVKKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(CF)cc2)C1 ZINC001100677141 1334553880 /nfs/dbraw/zinc/55/38/80/1334553880.db2.gz YPNIGJBXRIBWJE-MNNVXMFVSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001100678329 1334556101 /nfs/dbraw/zinc/55/61/01/1334556101.db2.gz HLNXEQZABWPKHD-IPJUCJBFSA-N 1 3 347.547 2.783 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001100678185 1334556135 /nfs/dbraw/zinc/55/61/35/1334556135.db2.gz BXZQQLWFXSKTQN-MXWWQKGMSA-N 1 3 349.906 2.666 20 0 EFADHO CCCCC[NH2+]C1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679727 1334559074 /nfs/dbraw/zinc/55/90/74/1334559074.db2.gz LCIWMHOCCKOQEE-RJYAGPCLSA-N 1 3 341.515 2.874 20 0 EFADHO CC(C)=CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001100679852 1334559496 /nfs/dbraw/zinc/55/94/96/1334559496.db2.gz SHNZMRXNLBMIMK-LADRWXRNSA-N 1 3 339.499 2.650 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC/C=C/c2ccccc2)C1)N(C)C ZINC001100683510 1334568850 /nfs/dbraw/zinc/56/88/50/1334568850.db2.gz FQNLEQGWJAXFRY-HFQXXAAXSA-N 1 3 343.515 2.915 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CC/C=C\c2ccccc2)C1)N(C)C ZINC001100683509 1334568906 /nfs/dbraw/zinc/56/89/06/1334568906.db2.gz FQNLEQGWJAXFRY-GCNNZTPUSA-N 1 3 343.515 2.915 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001100683734 1334569239 /nfs/dbraw/zinc/56/92/39/1334569239.db2.gz PGERZIFSGCPZHV-PVARCSIZSA-N 1 3 343.471 2.757 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001100683632 1334569580 /nfs/dbraw/zinc/56/95/80/1334569580.db2.gz KWIHZUVXFCWDJA-IIVFGPHZSA-N 1 3 329.488 2.524 20 0 EFADHO O[C@@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2ccccc2s1 ZINC000848534228 1334780412 /nfs/dbraw/zinc/78/04/12/1334780412.db2.gz YUHIBHVNIQOMGT-SJORKVTESA-N 1 3 346.496 2.778 20 0 EFADHO CC[N@H+](C)C[C@H](O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001413968758 1334850057 /nfs/dbraw/zinc/85/00/57/1334850057.db2.gz VRTMAMZMQWLIAH-KRWDZBQOSA-N 1 3 348.487 2.863 20 0 EFADHO CC[N@@H+](C)C[C@H](O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001413968758 1334850058 /nfs/dbraw/zinc/85/00/58/1334850058.db2.gz VRTMAMZMQWLIAH-KRWDZBQOSA-N 1 3 348.487 2.863 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(CN3CCN(c4ccccc4)C3=O)C[C@@H]2C1 ZINC001356055247 1334942714 /nfs/dbraw/zinc/94/27/14/1334942714.db2.gz AVDLYOMMQPLPHW-JENIJYKNSA-N 1 3 342.487 2.548 20 0 EFADHO CCSCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000848986975 1335026611 /nfs/dbraw/zinc/02/66/11/1335026611.db2.gz NELAEZAMEWSAGA-UHFFFAOYSA-N 1 3 334.533 2.908 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1c[nH]c2ccc(F)cc12 ZINC000848987488 1335026678 /nfs/dbraw/zinc/02/66/78/1335026678.db2.gz AJPSQLKVTYDCKM-INIZCTEOSA-N 1 3 345.466 2.838 20 0 EFADHO Cc1cncc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)c1 ZINC000849001711 1335033783 /nfs/dbraw/zinc/03/37/83/1335033783.db2.gz SXTRNSNJJVRZFN-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCn1ccc2cc(Cl)ccc21 ZINC000849051843 1335058135 /nfs/dbraw/zinc/05/81/35/1335058135.db2.gz IPCFJXSGCARVNZ-MRXNPFEDSA-N 1 3 347.894 2.893 20 0 EFADHO C[C@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)N(C)C ZINC001356594738 1335059690 /nfs/dbraw/zinc/05/96/90/1335059690.db2.gz FRNDIDKFRWERLM-DGCLKSJQSA-N 1 3 335.275 2.663 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1)N(C)C ZINC001356594749 1335060131 /nfs/dbraw/zinc/06/01/31/1335060131.db2.gz FXOJZCCAWZHQPV-RISCZKNCSA-N 1 3 335.275 2.663 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849054255 1335060692 /nfs/dbraw/zinc/06/06/92/1335060692.db2.gz XWALDMTVNQMWJD-CYBMUJFWSA-N 1 3 344.381 2.683 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C(F)(F)F ZINC000849062353 1335064739 /nfs/dbraw/zinc/06/47/39/1335064739.db2.gz BWAPIDRXASCPQM-ZDUSSCGKSA-N 1 3 328.382 2.804 20 0 EFADHO CCOCCCCNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849061098 1335064836 /nfs/dbraw/zinc/06/48/36/1335064836.db2.gz NZSWKPJMQDFQPI-UHFFFAOYSA-N 1 3 332.492 2.582 20 0 EFADHO CCCCN1CCCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000849064145 1335066307 /nfs/dbraw/zinc/06/63/07/1335066307.db2.gz BSYBUZAJMXANKB-KRWDZBQOSA-N 1 3 332.492 2.964 20 0 EFADHO C[C@@H]1C[C@@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849075361 1335070139 /nfs/dbraw/zinc/07/01/39/1335070139.db2.gz ZSJHAHLCBCRXLT-AEFFLSMTSA-N 1 3 344.503 2.580 20 0 EFADHO C[C@@H]1C[C@H](CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCO1 ZINC000849075363 1335070386 /nfs/dbraw/zinc/07/03/86/1335070386.db2.gz ZSJHAHLCBCRXLT-SJLPKXTDSA-N 1 3 344.503 2.580 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc2ccccc2s1 ZINC000849088071 1335073232 /nfs/dbraw/zinc/07/32/32/1335073232.db2.gz SODVRAQMZQHRKL-LSDHHAIUSA-N 1 3 346.500 2.533 20 0 EFADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000849107327 1335553024 /nfs/dbraw/zinc/55/30/24/1335553024.db2.gz UCFFFRHPUXEOMU-LLVKDONJSA-N 1 3 330.354 2.863 20 0 EFADHO COC1(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000849112906 1335553959 /nfs/dbraw/zinc/55/39/59/1335553959.db2.gz IDPCTXFFXSZHJS-UHFFFAOYSA-N 1 3 344.503 2.724 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(F)F)c(F)c1 ZINC000849112654 1335554218 /nfs/dbraw/zinc/55/42/18/1335554218.db2.gz APWMRYDXZPTMAB-GFCCVEGCSA-N 1 3 344.381 2.525 20 0 EFADHO [NH2+]=C(NCCC[C@H]1CCOC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849116140 1335555273 /nfs/dbraw/zinc/55/52/73/1335555273.db2.gz GLDKSFNYYHGZGC-SFHVURJKSA-N 1 3 344.503 2.582 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000849116452 1335555593 /nfs/dbraw/zinc/55/55/93/1335555593.db2.gz JRDKVPXWYZHYEO-ULQDDVLXSA-N 1 3 330.476 2.539 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001361439039 1336082597 /nfs/dbraw/zinc/08/25/97/1336082597.db2.gz SKDZNXRPCYINGI-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001361439039 1336082600 /nfs/dbraw/zinc/08/26/00/1336082600.db2.gz SKDZNXRPCYINGI-RBUKOAKNSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001361648544 1336245105 /nfs/dbraw/zinc/24/51/05/1336245105.db2.gz ZZWZGULLFGOBTF-OALUTQOASA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001361852604 1336375812 /nfs/dbraw/zinc/37/58/12/1336375812.db2.gz CPVWIZJPDCBVHC-OKZBNKHCSA-N 1 3 337.552 2.980 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC001361864724 1336383950 /nfs/dbraw/zinc/38/39/50/1336383950.db2.gz QYZQYBQDUWIJEB-LJQANCHMSA-N 1 3 345.487 2.973 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH+](C)C)cc1 ZINC001362032242 1336472850 /nfs/dbraw/zinc/47/28/50/1336472850.db2.gz WIEOSVXBTQLGBV-GOSISDBHSA-N 1 3 333.520 2.946 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001362163871 1336533254 /nfs/dbraw/zinc/53/32/54/1336533254.db2.gz WIEIGUMZINBETM-UHFFFAOYSA-N 1 3 340.471 2.953 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[N@H+](C)Cc1ccccc1 ZINC001362414468 1336600217 /nfs/dbraw/zinc/60/02/17/1336600217.db2.gz IVIFAJFHEUONHE-KRWDZBQOSA-N 1 3 333.520 2.991 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC001362414468 1336600219 /nfs/dbraw/zinc/60/02/19/1336600219.db2.gz IVIFAJFHEUONHE-KRWDZBQOSA-N 1 3 333.520 2.991 20 0 EFADHO CN(CC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001362420586 1336603046 /nfs/dbraw/zinc/60/30/46/1336603046.db2.gz NARZVROVXCGZOP-UHFFFAOYSA-N 1 3 333.520 2.991 20 0 EFADHO CN(CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001362420586 1336603049 /nfs/dbraw/zinc/60/30/49/1336603049.db2.gz NARZVROVXCGZOP-UHFFFAOYSA-N 1 3 333.520 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001362698669 1336708868 /nfs/dbraw/zinc/70/88/68/1336708868.db2.gz XDWAXVMEHPOZGS-HAGHYFMRSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001362698669 1336708871 /nfs/dbraw/zinc/70/88/71/1336708871.db2.gz XDWAXVMEHPOZGS-HAGHYFMRSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC001362788791 1336742636 /nfs/dbraw/zinc/74/26/36/1336742636.db2.gz IZPDHDMRAPCNEX-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001363182592 1336821214 /nfs/dbraw/zinc/82/12/14/1336821214.db2.gz DVHVYMDACNGCDA-MISYRCLQSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001363182592 1336821215 /nfs/dbraw/zinc/82/12/15/1336821215.db2.gz DVHVYMDACNGCDA-MISYRCLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001363210088 1336834738 /nfs/dbraw/zinc/83/47/38/1336834738.db2.gz WVOPOAULTMNSRJ-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001363210088 1336834740 /nfs/dbraw/zinc/83/47/40/1336834740.db2.gz WVOPOAULTMNSRJ-UYAOXDASSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001363625688 1336960417 /nfs/dbraw/zinc/96/04/17/1336960417.db2.gz JSBKFLZNBQQNJU-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001363625688 1336960420 /nfs/dbraw/zinc/96/04/20/1336960420.db2.gz JSBKFLZNBQQNJU-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC001363865555 1337090644 /nfs/dbraw/zinc/09/06/44/1337090644.db2.gz FVYDBRUDDBCODF-LJQANCHMSA-N 1 3 326.440 2.552 20 0 EFADHO COc1cccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC001363865555 1337090648 /nfs/dbraw/zinc/09/06/48/1337090648.db2.gz FVYDBRUDDBCODF-LJQANCHMSA-N 1 3 326.440 2.552 20 0 EFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001363876872 1337095613 /nfs/dbraw/zinc/09/56/13/1337095613.db2.gz YDETVSYAQPNINQ-HXUWFJFHSA-N 1 3 339.483 2.609 20 0 EFADHO CN(C)c1ccccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001363876872 1337095616 /nfs/dbraw/zinc/09/56/16/1337095616.db2.gz YDETVSYAQPNINQ-HXUWFJFHSA-N 1 3 339.483 2.609 20 0 EFADHO CN(C)c1cc[nH+]cc1CNc1cccc(CN2CCN(C)CC2)c1 ZINC001364590365 1337194434 /nfs/dbraw/zinc/19/44/34/1337194434.db2.gz YJHOYPSRNCQBKN-UHFFFAOYSA-N 1 3 339.487 2.507 20 0 EFADHO CC(C)[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCS1 ZINC001365272941 1337218636 /nfs/dbraw/zinc/21/86/36/1337218636.db2.gz YWDSUADXIBCBDE-RBUKOAKNSA-N 1 3 334.529 2.697 20 0 EFADHO CC(C)[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCS1 ZINC001365272941 1337218637 /nfs/dbraw/zinc/21/86/37/1337218637.db2.gz YWDSUADXIBCBDE-RBUKOAKNSA-N 1 3 334.529 2.697 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cccc1C ZINC001365799850 1337249474 /nfs/dbraw/zinc/24/94/74/1337249474.db2.gz CZZWCHPZAPUERU-SFHVURJKSA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1c(C)cccc1C ZINC001365799850 1337249478 /nfs/dbraw/zinc/24/94/78/1337249478.db2.gz CZZWCHPZAPUERU-SFHVURJKSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001366053327 1337349368 /nfs/dbraw/zinc/34/93/68/1337349368.db2.gz BBEGSHCEPJNSDX-RBUKOAKNSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001366068853 1337361291 /nfs/dbraw/zinc/36/12/91/1337361291.db2.gz WVMSSSPFWDWUKC-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC001366114125 1337384697 /nfs/dbraw/zinc/38/46/97/1337384697.db2.gz ASFCVEPWGQGRFB-LSCFUAHRSA-N 1 3 339.430 2.603 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001366132744 1337393697 /nfs/dbraw/zinc/39/36/97/1337393697.db2.gz VHFUIEQAIURINW-GUDVDZBRSA-N 1 3 331.504 2.626 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001366138478 1337397749 /nfs/dbraw/zinc/39/77/49/1337397749.db2.gz YLPSFPWVBNGRCL-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001366138478 1337397753 /nfs/dbraw/zinc/39/77/53/1337397753.db2.gz YLPSFPWVBNGRCL-YQQQUEKLSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001366200729 1337438103 /nfs/dbraw/zinc/43/81/03/1337438103.db2.gz NGPQESZCKLYNIG-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(OC)cc2)CC1)N(C)C ZINC001366250589 1337477047 /nfs/dbraw/zinc/47/70/47/1337477047.db2.gz YAMBJKHYHKJIPE-TVPLGVNVSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001366288234 1337493080 /nfs/dbraw/zinc/49/30/80/1337493080.db2.gz PEBBKJUQLHSKFG-OAHLLOKOSA-N 1 3 346.519 2.592 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001366288223 1337493400 /nfs/dbraw/zinc/49/34/00/1337493400.db2.gz PEBBKJUQLHSKFG-HNNXBMFYSA-N 1 3 346.519 2.592 20 0 EFADHO Cc1cccnc1CN[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001366299778 1337499551 /nfs/dbraw/zinc/49/95/51/1337499551.db2.gz BJYAOBKUGJOECZ-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cccnc1CN[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001366299778 1337499552 /nfs/dbraw/zinc/49/95/52/1337499552.db2.gz BJYAOBKUGJOECZ-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001366329292 1337515945 /nfs/dbraw/zinc/51/59/45/1337515945.db2.gz SVDZHZYTTSOGML-KXBFYZLASA-N 1 3 327.472 2.774 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1ccccc1F ZINC001366346950 1337526346 /nfs/dbraw/zinc/52/63/46/1337526346.db2.gz OWLMXPZTEYKHFT-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001366416864 1337567339 /nfs/dbraw/zinc/56/73/39/1337567339.db2.gz VHHFXZKGWFKAEB-LJQANCHMSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001366436023 1337585730 /nfs/dbraw/zinc/58/57/30/1337585730.db2.gz VQWUHGWNVXXIMY-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001366436023 1337585733 /nfs/dbraw/zinc/58/57/33/1337585733.db2.gz VQWUHGWNVXXIMY-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001366490558 1337631056 /nfs/dbraw/zinc/63/10/56/1337631056.db2.gz VWTLSLNFLHLBFE-YOEHRIQHSA-N 1 3 339.911 2.973 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(F)c1F)N(C)C ZINC001366504636 1337646238 /nfs/dbraw/zinc/64/62/38/1337646238.db2.gz GJYYBMGFJWQCKS-DYVFJYSZSA-N 1 3 341.446 2.535 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001366510187 1337651189 /nfs/dbraw/zinc/65/11/89/1337651189.db2.gz NQXZQTUSFBDCBP-CJNGLKHVSA-N 1 3 325.884 2.665 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001366528842 1337665776 /nfs/dbraw/zinc/66/57/76/1337665776.db2.gz JMTGTZNPTXYQAI-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001366528842 1337665778 /nfs/dbraw/zinc/66/57/78/1337665778.db2.gz JMTGTZNPTXYQAI-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366536831 1337672979 /nfs/dbraw/zinc/67/29/79/1337672979.db2.gz LYEAHVSYPQWNKR-QGZVFWFLSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001366536831 1337672983 /nfs/dbraw/zinc/67/29/83/1337672983.db2.gz LYEAHVSYPQWNKR-QGZVFWFLSA-N 1 3 335.467 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001366557522 1337692116 /nfs/dbraw/zinc/69/21/16/1337692116.db2.gz JHRAGLCPDGGBME-HXUWFJFHSA-N 1 3 341.499 2.974 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1cccc2ccccc21)N(C)C ZINC001366557522 1337692119 /nfs/dbraw/zinc/69/21/19/1337692119.db2.gz JHRAGLCPDGGBME-HXUWFJFHSA-N 1 3 341.499 2.974 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001366572714 1337709054 /nfs/dbraw/zinc/70/90/54/1337709054.db2.gz ZOYGLJNKUNSAHX-SFHVURJKSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@@H](c1ccccc1)N(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001366577024 1337714475 /nfs/dbraw/zinc/71/44/75/1337714475.db2.gz CBMBYXPJUWNLRV-KRWDZBQOSA-N 1 3 343.515 2.918 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001366629989 1337773004 /nfs/dbraw/zinc/77/30/04/1337773004.db2.gz SIWWVDYHLFIIQM-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001366629989 1337773005 /nfs/dbraw/zinc/77/30/05/1337773005.db2.gz SIWWVDYHLFIIQM-HKUYNNGSSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700024 1337887736 /nfs/dbraw/zinc/88/77/36/1337887736.db2.gz HAMZVCFWFQDOSU-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001366700024 1337887744 /nfs/dbraw/zinc/88/77/44/1337887744.db2.gz HAMZVCFWFQDOSU-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+]([C@@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001366750690 1337964188 /nfs/dbraw/zinc/96/41/88/1337964188.db2.gz FUHVFLFLFAYQCL-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1C)C1CC1)N(C)C ZINC001366750690 1337964192 /nfs/dbraw/zinc/96/41/92/1337964192.db2.gz FUHVFLFLFAYQCL-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001366754547 1337971284 /nfs/dbraw/zinc/97/12/84/1337971284.db2.gz DGKYIWXTEAKPQK-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)C1CC1 ZINC001366754547 1337971289 /nfs/dbraw/zinc/97/12/89/1337971289.db2.gz DGKYIWXTEAKPQK-FQEVSTJZSA-N 1 3 345.531 2.970 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001366780508 1337998645 /nfs/dbraw/zinc/99/86/45/1337998645.db2.gz HTHLHDDOHFXOGI-CYBMUJFWSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001366786229 1338004856 /nfs/dbraw/zinc/00/48/56/1338004856.db2.gz ASULGMBSDCDCEJ-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)C1 ZINC001366881769 1338159918 /nfs/dbraw/zinc/15/99/18/1338159918.db2.gz JWAQDLRULDFAIM-IBGZPJMESA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001366881769 1338159920 /nfs/dbraw/zinc/15/99/20/1338159920.db2.gz JWAQDLRULDFAIM-IBGZPJMESA-N 1 3 331.504 2.617 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001366898711 1338182977 /nfs/dbraw/zinc/18/29/77/1338182977.db2.gz TZRMWYNOSRAALQ-UXHICEINSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001366898711 1338182981 /nfs/dbraw/zinc/18/29/81/1338182981.db2.gz TZRMWYNOSRAALQ-UXHICEINSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001366975347 1338233695 /nfs/dbraw/zinc/23/36/95/1338233695.db2.gz AJOZVYCAZCLXIG-MJGOQNOKSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC001367130096 1338419243 /nfs/dbraw/zinc/41/92/43/1338419243.db2.gz FHUCNXWVLHJWIU-HOTGVXAUSA-N 1 3 325.884 2.665 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001367131658 1338420125 /nfs/dbraw/zinc/42/01/25/1338420125.db2.gz JLIMYPDWXQDYEL-PMACEKPBSA-N 1 3 345.531 2.746 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2F)CCCC1)N(C)C ZINC001367154706 1338451438 /nfs/dbraw/zinc/45/14/38/1338451438.db2.gz BIYDJUNQTVGDAD-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367260598 1338560345 /nfs/dbraw/zinc/56/03/45/1338560345.db2.gz MBRZPSODFHRYPQ-MJGOQNOKSA-N 1 3 331.504 2.711 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1F ZINC001367292253 1338591911 /nfs/dbraw/zinc/59/19/11/1338591911.db2.gz XQBZQBURTCGMII-MAUKXSAKSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2F)CCCC1)N(C)C ZINC001367322171 1338619318 /nfs/dbraw/zinc/61/93/18/1338619318.db2.gz HXFCKTXYOSCYFM-SFHVURJKSA-N 1 3 349.494 2.727 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCCC1)N(C)C ZINC001367325535 1338623887 /nfs/dbraw/zinc/62/38/87/1338623887.db2.gz WRYFPHVKZBZYRJ-IBGZPJMESA-N 1 3 345.531 2.834 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001367397933 1338695232 /nfs/dbraw/zinc/69/52/32/1338695232.db2.gz HZMONDHYCGKLID-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC001367406014 1338703419 /nfs/dbraw/zinc/70/34/19/1338703419.db2.gz XVJBUBRJOWWCBD-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)C1(N(C)C)CCC1 ZINC001367411689 1338709191 /nfs/dbraw/zinc/70/91/91/1338709191.db2.gz MYZRMGYBJSMUMZ-OAHLLOKOSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001367451679 1338753900 /nfs/dbraw/zinc/75/39/00/1338753900.db2.gz RUSUIHDULZYQOB-SFHVURJKSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCN(C)CCF)CC1 ZINC001367451679 1338753903 /nfs/dbraw/zinc/75/39/03/1338753903.db2.gz RUSUIHDULZYQOB-SFHVURJKSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cccc1C)C(C)C)N(C)C ZINC001367496353 1338795349 /nfs/dbraw/zinc/79/53/49/1338795349.db2.gz VSYMTFIMABIRET-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C(C)C)cc1 ZINC001367496331 1338795533 /nfs/dbraw/zinc/79/55/33/1338795533.db2.gz VMPIETPAUGRHLA-RTBURBONSA-N 1 3 333.520 2.812 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001367514974 1338814151 /nfs/dbraw/zinc/81/41/51/1338814151.db2.gz HEEFTQBPWHPTAK-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)C(=O)CN(C)C1CCC1 ZINC001367514974 1338814156 /nfs/dbraw/zinc/81/41/56/1338814156.db2.gz HEEFTQBPWHPTAK-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@@H]2CCc3c2cccc3F)CCC1 ZINC001367518252 1338817825 /nfs/dbraw/zinc/81/78/25/1338817825.db2.gz YZWBCLCSJVYCBQ-GOSISDBHSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@@H]2CCc3c2cccc3F)CCC1 ZINC001367518252 1338817829 /nfs/dbraw/zinc/81/78/29/1338817829.db2.gz YZWBCLCSJVYCBQ-GOSISDBHSA-N 1 3 347.478 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)Cc1ccc(CF)cc1)[NH+](C)C ZINC001367534797 1338836298 /nfs/dbraw/zinc/83/62/98/1338836298.db2.gz LEHFSNOUSKITDH-GOSISDBHSA-N 1 3 337.483 2.633 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2ccccc2C2CC2)C1 ZINC001367537120 1338841830 /nfs/dbraw/zinc/84/18/30/1338841830.db2.gz QHFMDPJZMNSCJO-KRWDZBQOSA-N 1 3 343.515 2.796 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)Cc2ccccc2C2CC2)C1 ZINC001367537120 1338841833 /nfs/dbraw/zinc/84/18/33/1338841833.db2.gz QHFMDPJZMNSCJO-KRWDZBQOSA-N 1 3 343.515 2.796 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001367559653 1338871544 /nfs/dbraw/zinc/87/15/44/1338871544.db2.gz GHVIFWQYSLXSSX-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367647590 1338902725 /nfs/dbraw/zinc/90/27/25/1338902725.db2.gz KAZLDMGRJCEBKQ-ZMSDIMECSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367647590 1338902728 /nfs/dbraw/zinc/90/27/28/1338902728.db2.gz KAZLDMGRJCEBKQ-ZMSDIMECSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001367676935 1338921231 /nfs/dbraw/zinc/92/12/31/1338921231.db2.gz SBATUTSENCKDRV-KDOFPFPSSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001367698584 1338937688 /nfs/dbraw/zinc/93/76/88/1338937688.db2.gz JOLQFTOPTVIFMR-IOASZLSFSA-N 1 3 325.884 2.836 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001367732984 1338964731 /nfs/dbraw/zinc/96/47/31/1338964731.db2.gz DLCJHEAVIKRROS-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001367740535 1338970512 /nfs/dbraw/zinc/97/05/12/1338970512.db2.gz QXNNFQRXXZWJHB-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001367759788 1338986554 /nfs/dbraw/zinc/98/65/54/1338986554.db2.gz JUFXFGRRGIONTG-ZDUSSCGKSA-N 1 3 341.446 2.537 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001367762444 1338988296 /nfs/dbraw/zinc/98/82/96/1338988296.db2.gz YREDFFTWMALTAX-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO C[C@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001367808623 1339027442 /nfs/dbraw/zinc/02/74/42/1339027442.db2.gz STHRPSQVBROCRG-QGZVFWFLSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](C[N@@H+](C)CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001367808623 1339027445 /nfs/dbraw/zinc/02/74/45/1339027445.db2.gz STHRPSQVBROCRG-QGZVFWFLSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367825326 1339040691 /nfs/dbraw/zinc/04/06/91/1339040691.db2.gz UGQBPNNFWFEDHF-QKIXSCASSA-N 1 3 341.499 2.765 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1Cl)N(C)C ZINC001367839250 1339056049 /nfs/dbraw/zinc/05/60/49/1339056049.db2.gz VEGCKHQIYNBXHX-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1Cl)N(C)C ZINC001367839250 1339056051 /nfs/dbraw/zinc/05/60/51/1339056051.db2.gz VEGCKHQIYNBXHX-YOEHRIQHSA-N 1 3 339.911 2.659 20 0 EFADHO COc1cc(CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C ZINC001367839501 1339056753 /nfs/dbraw/zinc/05/67/53/1339056753.db2.gz YXVPGDXQALOYLN-QFBILLFUSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@H+](C)CC/C=C\c1ccccc1 ZINC001367847964 1339064038 /nfs/dbraw/zinc/06/40/38/1339064038.db2.gz GXWYHBKFPMNXAZ-MRDWYFFCSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[N@@H+](C)CC/C=C\c1ccccc1 ZINC001367847964 1339064040 /nfs/dbraw/zinc/06/40/40/1339064040.db2.gz GXWYHBKFPMNXAZ-MRDWYFFCSA-N 1 3 340.471 2.801 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1Cl)C1CC1)N(C)C ZINC001367895595 1339092107 /nfs/dbraw/zinc/09/21/07/1339092107.db2.gz AMNNNSAAEIDFFY-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368178919 1339238556 /nfs/dbraw/zinc/23/85/56/1339238556.db2.gz MYWBTGPEJWXQHV-HXUWFJFHSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368178919 1339238558 /nfs/dbraw/zinc/23/85/58/1339238558.db2.gz MYWBTGPEJWXQHV-HXUWFJFHSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368178914 1339238593 /nfs/dbraw/zinc/23/85/93/1339238593.db2.gz MYWBTGPEJWXQHV-FQEVSTJZSA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(C)cc2)C1 ZINC001368178914 1339238595 /nfs/dbraw/zinc/23/85/95/1339238595.db2.gz MYWBTGPEJWXQHV-FQEVSTJZSA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001368192135 1339246651 /nfs/dbraw/zinc/24/66/51/1339246651.db2.gz GNSWWZYDLALEOD-FQEVSTJZSA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)[NH+]1CCC(C)(CNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001368209435 1339257343 /nfs/dbraw/zinc/25/73/43/1339257343.db2.gz ITURSCNVJVZYLN-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001368210192 1339257650 /nfs/dbraw/zinc/25/76/50/1339257650.db2.gz CGEXCJLREMFDAY-GOSISDBHSA-N 1 3 343.515 2.747 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(CC)cc2)C1 ZINC001368331463 1339301894 /nfs/dbraw/zinc/30/18/94/1339301894.db2.gz BFYDKFBBMUDJQF-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001368428447 1339363370 /nfs/dbraw/zinc/36/33/70/1339363370.db2.gz YDWVMMGNIGVTQG-HOTGVXAUSA-N 1 3 326.444 2.542 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C/c3ccccc3)C2)CCC1 ZINC001368480368 1339417414 /nfs/dbraw/zinc/41/74/14/1339417414.db2.gz LYTMZSACNOWQAP-DBGQFEQUSA-N 1 3 341.499 2.669 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCC1)N(C)C ZINC001368481932 1339418456 /nfs/dbraw/zinc/41/84/56/1339418456.db2.gz BFOQMWRNOPAISL-QCSXQHJISA-N 1 3 329.488 2.669 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)C1 ZINC001368487486 1339424119 /nfs/dbraw/zinc/42/41/19/1339424119.db2.gz SSXFHEBQYGFPSJ-MRXNPFEDSA-N 1 3 341.455 2.513 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3cc4ccccc4o3)CCC2)C1 ZINC001368487486 1339424122 /nfs/dbraw/zinc/42/41/22/1339424122.db2.gz SSXFHEBQYGFPSJ-MRXNPFEDSA-N 1 3 341.455 2.513 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001368520642 1339456838 /nfs/dbraw/zinc/45/68/38/1339456838.db2.gz CBXGIKAZCZNAQR-IZAXUBKRSA-N 1 3 331.504 2.630 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001368521974 1339457536 /nfs/dbraw/zinc/45/75/36/1339457536.db2.gz KWFXWOKOEHZXSI-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001368521974 1339457539 /nfs/dbraw/zinc/45/75/39/1339457539.db2.gz KWFXWOKOEHZXSI-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCc2ccccc2F)CC1 ZINC001368525495 1339463621 /nfs/dbraw/zinc/46/36/21/1339463621.db2.gz QSBCTYAMGFFKIL-SFHVURJKSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2F)CC1 ZINC001368525495 1339463625 /nfs/dbraw/zinc/46/36/25/1339463625.db2.gz QSBCTYAMGFFKIL-SFHVURJKSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2F)CC1 ZINC001368525492 1339463646 /nfs/dbraw/zinc/46/36/46/1339463646.db2.gz QSBCTYAMGFFKIL-GOSISDBHSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2F)CC1 ZINC001368525492 1339463649 /nfs/dbraw/zinc/46/36/49/1339463649.db2.gz QSBCTYAMGFFKIL-GOSISDBHSA-N 1 3 349.494 2.681 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368543536 1339480188 /nfs/dbraw/zinc/48/01/88/1339480188.db2.gz QJWKZLSNQRPGJE-CQSZACIVSA-N 1 3 337.430 2.592 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368543536 1339480189 /nfs/dbraw/zinc/48/01/89/1339480189.db2.gz QJWKZLSNQRPGJE-CQSZACIVSA-N 1 3 337.430 2.592 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@H+](C)C/C=C/c2ccccc2)CCC1 ZINC001368546603 1339485274 /nfs/dbraw/zinc/48/52/74/1339485274.db2.gz MGNZBQJZMCVNLA-MDWZMJQESA-N 1 3 343.515 2.964 20 0 EFADHO CN(C)C1(C(=O)N(C)CCC[N@@H+](C)C/C=C/c2ccccc2)CCC1 ZINC001368546603 1339485276 /nfs/dbraw/zinc/48/52/76/1339485276.db2.gz MGNZBQJZMCVNLA-MDWZMJQESA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@H]1CCCCN1C ZINC001368549226 1339486663 /nfs/dbraw/zinc/48/66/63/1339486663.db2.gz PUYIHKSTZYNACI-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@H]1CCCCN1C ZINC001368549226 1339486665 /nfs/dbraw/zinc/48/66/65/1339486665.db2.gz PUYIHKSTZYNACI-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CC(=O)N(C)CCC[N@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001368555167 1339496086 /nfs/dbraw/zinc/49/60/86/1339496086.db2.gz FSGDQOSBSILVKC-UHFFFAOYSA-N 1 3 333.520 2.945 20 0 EFADHO CN(CC(=O)N(C)CCC[N@@H+](C)Cc1ccccc1)CC(C)(C)C ZINC001368555167 1339496087 /nfs/dbraw/zinc/49/60/87/1339496087.db2.gz FSGDQOSBSILVKC-UHFFFAOYSA-N 1 3 333.520 2.945 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001368577895 1339527050 /nfs/dbraw/zinc/52/70/50/1339527050.db2.gz BZGSKRCNAMUYNM-PSBWJHGTSA-N 1 3 331.504 2.818 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001368603888 1339546178 /nfs/dbraw/zinc/54/61/78/1339546178.db2.gz DSWSFLNOCGHWFK-VAMGGRTRSA-N 1 3 345.531 2.820 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001368606994 1339546531 /nfs/dbraw/zinc/54/65/31/1339546531.db2.gz MXKKIMLYADXYMY-QOJCHSLYSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001368607000 1339547227 /nfs/dbraw/zinc/54/72/27/1339547227.db2.gz MXKKIMLYADXYMY-UHMOLFJZSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)[C@@H](C)C1 ZINC001368712024 1339632542 /nfs/dbraw/zinc/63/25/42/1339632542.db2.gz VJXBROYLLAVHMT-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H](C)C1 ZINC001368712024 1339632547 /nfs/dbraw/zinc/63/25/47/1339632547.db2.gz VJXBROYLLAVHMT-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001368714771 1339634872 /nfs/dbraw/zinc/63/48/72/1339634872.db2.gz YGQJFBDLXCDDMZ-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001368714771 1339634875 /nfs/dbraw/zinc/63/48/75/1339634875.db2.gz YGQJFBDLXCDDMZ-VQIMIIECSA-N 1 3 349.494 2.967 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1F)N(C)C ZINC001368736654 1339657028 /nfs/dbraw/zinc/65/70/28/1339657028.db2.gz VDJNHUPLYJRCFZ-RLFYNMQTSA-N 1 3 337.483 2.957 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](CC)C/C=C/Cl)CC1)N(C)C ZINC001368770488 1339695721 /nfs/dbraw/zinc/69/57/21/1339695721.db2.gz MSLAWDQSFNERBR-OJXHRBAXSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](CC)C/C=C/Cl)CC1)N(C)C ZINC001368770488 1339695725 /nfs/dbraw/zinc/69/57/25/1339695725.db2.gz MSLAWDQSFNERBR-OJXHRBAXSA-N 1 3 329.916 2.640 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809941 1339747748 /nfs/dbraw/zinc/74/77/48/1339747748.db2.gz JZBUWIFVFDVTPI-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC3CC3)C2)C1)CC(C)(C)C ZINC001368809941 1339747762 /nfs/dbraw/zinc/74/77/62/1339747762.db2.gz JZBUWIFVFDVTPI-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369085490 1339904795 /nfs/dbraw/zinc/90/47/95/1339904795.db2.gz WDTQKITVEGEIBB-DLBZAZTESA-N 1 3 343.515 2.977 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001369088704 1339908325 /nfs/dbraw/zinc/90/83/25/1339908325.db2.gz OBKYRRFGPNZCDB-OXJNMPFZSA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305620 1340024391 /nfs/dbraw/zinc/02/43/91/1340024391.db2.gz UEFYFGXMGDIHBL-SJORKVTESA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001370305620 1340024395 /nfs/dbraw/zinc/02/43/95/1340024395.db2.gz UEFYFGXMGDIHBL-SJORKVTESA-N 1 3 334.508 2.805 20 0 EFADHO CC(C)C[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001370339721 1340044885 /nfs/dbraw/zinc/04/48/85/1340044885.db2.gz PDXMAAODIRFJHR-KURKYZTESA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001370481607 1340095580 /nfs/dbraw/zinc/09/55/80/1340095580.db2.gz FDSYLRHVHVAXGY-LSOMNZGLSA-N 1 3 347.478 2.636 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2OC(C)C)C1)N(C)C ZINC001370488540 1340099249 /nfs/dbraw/zinc/09/92/49/1340099249.db2.gz JUOBRWVVIWRGST-KZNAEPCWSA-N 1 3 347.503 2.551 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC001370549835 1340129323 /nfs/dbraw/zinc/12/93/23/1340129323.db2.gz SQDQVNYUESNHAW-QEJZJMRPSA-N 1 3 339.430 2.604 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2Cl)C1)N(C)C ZINC001370550726 1340129744 /nfs/dbraw/zinc/12/97/44/1340129744.db2.gz ZSDBQCTXWASISW-WSMBLCCSSA-N 1 3 337.895 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001370854477 1340237447 /nfs/dbraw/zinc/23/74/47/1340237447.db2.gz VBQFCCUNGVMHTM-INIZCTEOSA-N 1 3 337.533 2.727 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCN2CCCF)CCCCC1 ZINC001370872019 1340248749 /nfs/dbraw/zinc/24/87/49/1340248749.db2.gz MXNJWMOYCKJRLZ-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001371197750 1340409792 /nfs/dbraw/zinc/40/97/92/1340409792.db2.gz BXRDOKDARCJPNK-HOTGVXAUSA-N 1 3 343.515 2.815 20 0 EFADHO CC(C)Oc1cccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001371202642 1340413612 /nfs/dbraw/zinc/41/36/12/1340413612.db2.gz NFGSLRIKLCQDDR-MRXNPFEDSA-N 1 3 347.503 2.552 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)c1ccccc1Cl ZINC001371342549 1340511263 /nfs/dbraw/zinc/51/12/63/1340511263.db2.gz GIVHCXFKOVQPHT-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001371433976 1340588554 /nfs/dbraw/zinc/58/85/54/1340588554.db2.gz WKFKJURDKWPFAF-BLLLJJGKSA-N 1 3 343.874 2.660 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC2CC2)CCCCC1 ZINC001373049453 1340885255 /nfs/dbraw/zinc/88/52/55/1340885255.db2.gz OYLGVEQPAFRRLA-HDICACEKSA-N 1 3 333.520 2.584 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N1CCN(C(C)(C)CC)CC1 ZINC001373059904 1340888115 /nfs/dbraw/zinc/88/81/15/1340888115.db2.gz ZSZYZEPGXOASKV-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001373287569 1340976965 /nfs/dbraw/zinc/97/69/65/1340976965.db2.gz ICAFNCGLVSMWOU-PMACEKPBSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001373287569 1340976966 /nfs/dbraw/zinc/97/69/66/1340976966.db2.gz ICAFNCGLVSMWOU-PMACEKPBSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001373287575 1340977062 /nfs/dbraw/zinc/97/70/62/1340977062.db2.gz ICAFNCGLVSMWOU-UXHICEINSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001373287575 1340977063 /nfs/dbraw/zinc/97/70/63/1340977063.db2.gz ICAFNCGLVSMWOU-UXHICEINSA-N 1 3 345.531 2.596 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001373561389 1341054011 /nfs/dbraw/zinc/05/40/11/1341054011.db2.gz QPTCGUDWTTXFHG-SFHVURJKSA-N 1 3 343.515 2.980 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594466 1341064054 /nfs/dbraw/zinc/06/40/54/1341064054.db2.gz UTBZRNLGLFVPPS-WDSOQIARSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001373594466 1341064056 /nfs/dbraw/zinc/06/40/56/1341064056.db2.gz UTBZRNLGLFVPPS-WDSOQIARSA-N 1 3 331.504 2.833 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001373637862 1341078459 /nfs/dbraw/zinc/07/84/59/1341078459.db2.gz NYPKBPFLNQYPNY-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373666948 1341090781 /nfs/dbraw/zinc/09/07/81/1341090781.db2.gz JXVKLIYFWLEQBX-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001373666948 1341090782 /nfs/dbraw/zinc/09/07/82/1341090782.db2.gz JXVKLIYFWLEQBX-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373689491 1341102814 /nfs/dbraw/zinc/10/28/14/1341102814.db2.gz VGWFVRIGEBAPLX-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373689491 1341102815 /nfs/dbraw/zinc/10/28/15/1341102815.db2.gz VGWFVRIGEBAPLX-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001373759813 1341137344 /nfs/dbraw/zinc/13/73/44/1341137344.db2.gz RYVHOAHPZVUSLM-IBGZPJMESA-N 1 3 343.515 2.644 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001373760688 1341137822 /nfs/dbraw/zinc/13/78/22/1341137822.db2.gz VEBLSTWTVIRSSM-PBHICJAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001373795452 1341151103 /nfs/dbraw/zinc/15/11/03/1341151103.db2.gz FGLGILXZSJIWDJ-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO CC[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccccc1C ZINC001373799179 1341152316 /nfs/dbraw/zinc/15/23/16/1341152316.db2.gz VSYLAVLCIOXPAN-GOSISDBHSA-N 1 3 333.520 2.957 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001373823206 1341163394 /nfs/dbraw/zinc/16/33/94/1341163394.db2.gz VQUHLIIOFGOSPO-AAEUAGOBSA-N 1 3 331.913 2.726 20 0 EFADHO Cc1cccc(C[NH2+]C[C@](C)(NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001373877500 1341184962 /nfs/dbraw/zinc/18/49/62/1341184962.db2.gz IPWOWEZSIXPGOC-NRFANRHFSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001373924262 1341205707 /nfs/dbraw/zinc/20/57/07/1341205707.db2.gz UUGGUAKWQAXMNR-GUDVDZBRSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cs1 ZINC001374014098 1341302781 /nfs/dbraw/zinc/30/27/81/1341302781.db2.gz NPSNBZGHLNIUBQ-PBHICJAKSA-N 1 3 337.533 2.771 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001374028661 1341317610 /nfs/dbraw/zinc/31/76/10/1341317610.db2.gz SLFLIHXVJKIITG-BEFAXECRSA-N 1 3 333.520 2.732 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)s1 ZINC001374069801 1341360712 /nfs/dbraw/zinc/36/07/12/1341360712.db2.gz CIIPQGCUZYPBPY-KBPBESRZSA-N 1 3 337.533 2.549 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374080941 1341374851 /nfs/dbraw/zinc/37/48/51/1341374851.db2.gz JMKRKFVXNSVRLO-QFBILLFUSA-N 1 3 349.494 2.931 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2csc(C)c2)CCCC1 ZINC001374177835 1341516784 /nfs/dbraw/zinc/51/67/84/1341516784.db2.gz IXMNYFKABSVIBB-UHFFFAOYSA-N 1 3 337.533 2.917 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001391896344 1355630896 /nfs/dbraw/zinc/63/08/96/1355630896.db2.gz APWPCLYXTNNBNV-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233394 1341586508 /nfs/dbraw/zinc/58/65/08/1341586508.db2.gz NBFPQWXBQYTYKB-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001374248321 1341606423 /nfs/dbraw/zinc/60/64/23/1341606423.db2.gz ZFODPBUULGEGQC-GUYCJALGSA-N 1 3 339.549 2.888 20 0 EFADHO CC(C)Oc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCN1C ZINC001374269571 1341636893 /nfs/dbraw/zinc/63/68/93/1341636893.db2.gz AATARCBZGBRPBL-FUHWJXTLSA-N 1 3 347.503 2.505 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303214 1341686361 /nfs/dbraw/zinc/68/63/61/1341686361.db2.gz IAAIAULXLSVWPM-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001374303216 1341686482 /nfs/dbraw/zinc/68/64/82/1341686482.db2.gz IAAIAULXLSVWPM-ZWKOTPCHSA-N 1 3 325.541 2.837 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001374305783 1341690712 /nfs/dbraw/zinc/69/07/12/1341690712.db2.gz KSFQRNRJRYTSEP-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)c1ccc(F)cc1F ZINC001374305783 1341690713 /nfs/dbraw/zinc/69/07/13/1341690713.db2.gz KSFQRNRJRYTSEP-UONOGXRCSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001374313478 1341702580 /nfs/dbraw/zinc/70/25/80/1341702580.db2.gz OTWXHODPXIXTTA-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C\Cl ZINC001374419733 1341898219 /nfs/dbraw/zinc/89/82/19/1341898219.db2.gz PEWDHMSIIOUEKV-CDNLZTBQSA-N 1 3 329.916 2.734 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccccc1F ZINC001374426945 1341908315 /nfs/dbraw/zinc/90/83/15/1341908315.db2.gz PZXXQFXDOFPACY-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1cncc(C[NH2+][C@@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C)c1 ZINC001374434585 1341917577 /nfs/dbraw/zinc/91/75/77/1341917577.db2.gz VSGIIZGOMHUHLJ-SFHVURJKSA-N 1 3 348.535 2.598 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccccc1Cl)C(C)C)N(C)C ZINC001374443493 1341927634 /nfs/dbraw/zinc/92/76/34/1341927634.db2.gz KPGAFCPDDHPHJF-IRXDYDNUSA-N 1 3 339.911 2.911 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CC2CCC(F)(F)CC2)CCC1 ZINC001374499268 1341984198 /nfs/dbraw/zinc/98/41/98/1341984198.db2.gz NGGNGTKOUPPTIY-UHFFFAOYSA-N 1 3 345.478 2.686 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CC2CCC(F)(F)CC2)CCC1 ZINC001374499268 1341984200 /nfs/dbraw/zinc/98/42/00/1341984200.db2.gz NGGNGTKOUPPTIY-UHFFFAOYSA-N 1 3 345.478 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001374504498 1341992011 /nfs/dbraw/zinc/99/20/11/1341992011.db2.gz VUXHRBOQENHXGG-YJBOKZPZSA-N 1 3 337.483 2.863 20 0 EFADHO C[N@H+](CCC(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564050 1342079268 /nfs/dbraw/zinc/07/92/68/1342079268.db2.gz XMMLMPFEHBNADE-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[N@@H+](CCC(=O)N1CC[C@@H]2[C@H](CCN2CCF)C1)C1CCCCC1 ZINC001374564050 1342079272 /nfs/dbraw/zinc/07/92/72/1342079272.db2.gz XMMLMPFEHBNADE-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001374723476 1342139534 /nfs/dbraw/zinc/13/95/34/1342139534.db2.gz MSYNGWKUYNJRED-LJQANCHMSA-N 1 3 349.494 2.983 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001374815173 1342186463 /nfs/dbraw/zinc/18/64/63/1342186463.db2.gz WMFQSMYXBSLBEB-ABAIWWIYSA-N 1 3 346.302 2.928 20 0 EFADHO C[C@H](CNCc1ccc(Cl)s1)NC(=O)CCC[NH+]1CCCC1 ZINC001374851404 1342207118 /nfs/dbraw/zinc/20/71/18/1342207118.db2.gz HNZFXROSXVVCMZ-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001374899350 1342230111 /nfs/dbraw/zinc/23/01/11/1342230111.db2.gz VOFVDCMRRQIBEN-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001374899383 1342230124 /nfs/dbraw/zinc/23/01/24/1342230124.db2.gz VUXKDJZNCZHCOU-YOEHRIQHSA-N 1 3 339.911 2.829 20 0 EFADHO C[C@H](C[N@H+](C)CC1CCC(F)(F)CC1)NC(=O)CN(C)C1CCC1 ZINC001375052067 1342352726 /nfs/dbraw/zinc/35/27/26/1342352726.db2.gz CPLWKCJEQRUXAV-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](C[N@@H+](C)CC1CCC(F)(F)CC1)NC(=O)CN(C)C1CCC1 ZINC001375052067 1342352730 /nfs/dbraw/zinc/35/27/30/1342352730.db2.gz CPLWKCJEQRUXAV-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001375054892 1342357557 /nfs/dbraw/zinc/35/75/57/1342357557.db2.gz AQICHHQTYDKUDR-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001375054892 1342357559 /nfs/dbraw/zinc/35/75/59/1342357559.db2.gz AQICHHQTYDKUDR-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO C[C@H](C[N@@H+](C)CC1CCC(F)(F)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001375058875 1342362876 /nfs/dbraw/zinc/36/28/76/1342362876.db2.gz ZCVRHIRRFUZCAM-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](C[N@H+](C)CC1CCC(F)(F)CC1)NC(=O)C1(N(C)C)CCC1 ZINC001375058875 1342362870 /nfs/dbraw/zinc/36/28/70/1342362870.db2.gz ZCVRHIRRFUZCAM-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CN(CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC001375173517 1342489531 /nfs/dbraw/zinc/48/95/31/1342489531.db2.gz DEWVRASQWZFNAH-ICSRJNTNSA-N 1 3 343.515 2.936 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1 ZINC001375176057 1342492122 /nfs/dbraw/zinc/49/21/22/1342492122.db2.gz IKWCWNXDMFFBEF-OALUTQOASA-N 1 3 331.504 2.793 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001375178763 1342494207 /nfs/dbraw/zinc/49/42/07/1342494207.db2.gz VZTXWSZVKHIBEK-JKSUJKDBSA-N 1 3 345.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001375178760 1342494262 /nfs/dbraw/zinc/49/42/62/1342494262.db2.gz VZTXWSZVKHIBEK-CVEARBPZSA-N 1 3 345.478 2.638 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001375178804 1342494343 /nfs/dbraw/zinc/49/43/43/1342494343.db2.gz WRZUCXYGNZGTKU-DLBZAZTESA-N 1 3 334.508 2.961 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001393380982 1356801263 /nfs/dbraw/zinc/80/12/63/1356801263.db2.gz GFUBOYXJCSAQQL-NEFCLYRVSA-N 1 3 329.916 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCc2ccccc2F)C1 ZINC001393386754 1356806751 /nfs/dbraw/zinc/80/67/51/1356806751.db2.gz IBXMHKVCORNWNZ-WMZOPIPTSA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](CC)C1 ZINC001375287825 1342595812 /nfs/dbraw/zinc/59/58/12/1342595812.db2.gz OIGZXFJSZMWMHU-RBUKOAKNSA-N 1 3 331.504 2.745 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCN1CC[C@@H]1CCc2ccccc21 ZINC001375335594 1342641520 /nfs/dbraw/zinc/64/15/20/1342641520.db2.gz SJSHKAGUEIRKIO-RBUKOAKNSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)c1ccccc1CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001375471895 1342779844 /nfs/dbraw/zinc/77/98/44/1342779844.db2.gz PTQAWZWMOQWNNA-UHFFFAOYSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001375540407 1342852260 /nfs/dbraw/zinc/85/22/60/1342852260.db2.gz CXNBZRRKNSMTFM-NQYYFHDYSA-N 1 3 343.515 2.882 20 0 EFADHO C[NH+]1CCC(CC(=O)NCC2(NCc3ccc(CF)cc3)CC2)CC1 ZINC001375541226 1342853515 /nfs/dbraw/zinc/85/35/15/1342853515.db2.gz DOCPOCSCPAFHAI-UHFFFAOYSA-N 1 3 347.478 2.626 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001375551073 1342864797 /nfs/dbraw/zinc/86/47/97/1342864797.db2.gz UBBZLYGQZLSIOA-DWRORGKVSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C[C@H]1C ZINC001375734646 1342963625 /nfs/dbraw/zinc/96/36/25/1342963625.db2.gz BWAHXKZTIOMFMX-UYAOXDASSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001375780502 1343003845 /nfs/dbraw/zinc/00/38/45/1343003845.db2.gz KGXNFVCLDNKRJS-GOSISDBHSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CCc2ccccc2)CC1 ZINC001375781781 1343004668 /nfs/dbraw/zinc/00/46/68/1343004668.db2.gz ZSLMIMRSPGJZMI-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc2C1 ZINC001393723265 1357104339 /nfs/dbraw/zinc/10/43/39/1357104339.db2.gz SVOGJJUIPGFWPD-LJQANCHMSA-N 1 3 331.504 2.861 20 0 EFADHO CC(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc2C1 ZINC001393723265 1357104342 /nfs/dbraw/zinc/10/43/42/1357104342.db2.gz SVOGJJUIPGFWPD-LJQANCHMSA-N 1 3 331.504 2.861 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)cc2)C1)N(C)C ZINC001375883960 1343130508 /nfs/dbraw/zinc/13/05/08/1343130508.db2.gz ACLJFNVLFBUUCI-ICSRJNTNSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccc(C)c2)C1 ZINC001375902721 1343149557 /nfs/dbraw/zinc/14/95/57/1343149557.db2.gz XAAVZOJPEIDWPD-HXUWFJFHSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375947409 1343199067 /nfs/dbraw/zinc/19/90/67/1343199067.db2.gz DLMIMVDEWCNPLX-IBGZPJMESA-N 1 3 325.541 2.839 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001375947409 1343199072 /nfs/dbraw/zinc/19/90/72/1343199072.db2.gz DLMIMVDEWCNPLX-IBGZPJMESA-N 1 3 325.541 2.839 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC001393741148 1357117908 /nfs/dbraw/zinc/11/79/08/1357117908.db2.gz CQFKIWMSKFWHPD-JSGCOSHPSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2sccc2Cl)[C@@H](C)C1 ZINC001393741148 1357117913 /nfs/dbraw/zinc/11/79/13/1357117913.db2.gz CQFKIWMSKFWHPD-JSGCOSHPSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001376174839 1343375115 /nfs/dbraw/zinc/37/51/15/1343375115.db2.gz CQNCNTDBYWRUHT-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]([NH2+]C/C=C\c2ccccc2)C2CC2)CCC1 ZINC001376217461 1343405938 /nfs/dbraw/zinc/40/59/38/1343405938.db2.gz PQSCZRUMPKGSIP-FUKWUPMWSA-N 1 3 341.499 2.669 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001376223082 1343408668 /nfs/dbraw/zinc/40/86/68/1343408668.db2.gz ZWBITZMSMLKGSZ-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001376254895 1343430856 /nfs/dbraw/zinc/43/08/56/1343430856.db2.gz IOUCBCQFYOYYJL-RTBURBONSA-N 1 3 349.494 2.705 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1)CC(C)(C)C ZINC001376277903 1343447624 /nfs/dbraw/zinc/44/76/24/1343447624.db2.gz ARCDNZIPOMFPSF-DZFYGRHCSA-N 1 3 343.943 2.887 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1)CC(C)(C)C ZINC001376277903 1343447626 /nfs/dbraw/zinc/44/76/26/1343447626.db2.gz ARCDNZIPOMFPSF-DZFYGRHCSA-N 1 3 343.943 2.887 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001376401185 1343555558 /nfs/dbraw/zinc/55/55/58/1343555558.db2.gz SZHPPXVQEBDSSN-WGSAOQKQSA-N 1 3 345.531 2.964 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)N(C)C ZINC001376401792 1343556610 /nfs/dbraw/zinc/55/66/10/1343556610.db2.gz VECXUUFQBJCEMO-SKNOTLCPSA-N 1 3 349.906 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC001376403420 1343558887 /nfs/dbraw/zinc/55/88/87/1343558887.db2.gz UCPLAWKEPZWTGZ-JQFCIGGWSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001376407326 1343563128 /nfs/dbraw/zinc/56/31/28/1343563128.db2.gz KDMVSBMZTZVVPE-CAMMJAKZSA-N 1 3 347.478 2.780 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F)C1CCC1 ZINC001376424728 1343579996 /nfs/dbraw/zinc/57/99/96/1343579996.db2.gz NPWSKFGOLCOHTF-LQDVMPOASA-N 1 3 347.425 2.535 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F)C1CCC1 ZINC001376424728 1343579998 /nfs/dbraw/zinc/57/99/98/1343579998.db2.gz NPWSKFGOLCOHTF-LQDVMPOASA-N 1 3 347.425 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001376521539 1343646649 /nfs/dbraw/zinc/64/66/49/1343646649.db2.gz BELWKDOMOYPOFF-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001376521539 1343646652 /nfs/dbraw/zinc/64/66/52/1343646652.db2.gz BELWKDOMOYPOFF-OALUTQOASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCCC2CCC2)C1)N(C)C ZINC001376521534 1343646656 /nfs/dbraw/zinc/64/66/56/1343646656.db2.gz BELWKDOMOYPOFF-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCCC2CCC2)C1)N(C)C ZINC001376521534 1343646658 /nfs/dbraw/zinc/64/66/58/1343646658.db2.gz BELWKDOMOYPOFF-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001376556772 1343672811 /nfs/dbraw/zinc/67/28/11/1343672811.db2.gz KYDJQCFYYFWFEF-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001376738668 1343794785 /nfs/dbraw/zinc/79/47/85/1343794785.db2.gz IZXIQQYFWBONLM-KXBFYZLASA-N 1 3 329.488 2.643 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001376738660 1343794838 /nfs/dbraw/zinc/79/48/38/1343794838.db2.gz IZXIQQYFWBONLM-DNVCBOLYSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001376755199 1343809279 /nfs/dbraw/zinc/80/92/79/1343809279.db2.gz XKBGODKLDAZASR-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CCC1)N(C)C ZINC001376773612 1343825721 /nfs/dbraw/zinc/82/57/21/1343825721.db2.gz GHMRVPFDAFIHHS-KEEQEYLASA-N 1 3 343.515 2.915 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CCC1 ZINC001376807504 1343857233 /nfs/dbraw/zinc/85/72/33/1343857233.db2.gz IQCGQSVODCKTJS-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001376914129 1343952625 /nfs/dbraw/zinc/95/26/25/1343952625.db2.gz GJQDSNYGOOVCGJ-HNNXBMFYSA-N 1 3 337.895 2.681 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2c(C)cccc2Cl)C1 ZINC001376914129 1343952628 /nfs/dbraw/zinc/95/26/28/1343952628.db2.gz GJQDSNYGOOVCGJ-HNNXBMFYSA-N 1 3 337.895 2.681 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001376937561 1343969905 /nfs/dbraw/zinc/96/99/05/1343969905.db2.gz PZHOACIRATZQCD-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001376937561 1343969907 /nfs/dbraw/zinc/96/99/07/1343969907.db2.gz PZHOACIRATZQCD-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001376942446 1343973735 /nfs/dbraw/zinc/97/37/35/1343973735.db2.gz OIRRJLXRECDLFR-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001376942446 1343973738 /nfs/dbraw/zinc/97/37/38/1343973738.db2.gz OIRRJLXRECDLFR-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2cccc(F)c2)CC1 ZINC001376994602 1344034819 /nfs/dbraw/zinc/03/48/19/1344034819.db2.gz NPSINSWKWCKXBZ-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001376994602 1344034823 /nfs/dbraw/zinc/03/48/23/1344034823.db2.gz NPSINSWKWCKXBZ-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001377038388 1344083619 /nfs/dbraw/zinc/08/36/19/1344083619.db2.gz YHZRMRHICXOPCS-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001377038015 1344083923 /nfs/dbraw/zinc/08/39/23/1344083923.db2.gz WGJHNZNGGAMVCT-MRXNPFEDSA-N 1 3 331.504 2.718 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001492824068 1357166751 /nfs/dbraw/zinc/16/67/51/1357166751.db2.gz QDSDJQOCUJXOLS-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001492824068 1357166754 /nfs/dbraw/zinc/16/67/54/1357166754.db2.gz QDSDJQOCUJXOLS-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001377073480 1344116402 /nfs/dbraw/zinc/11/64/02/1344116402.db2.gz QTIFCCGKKZTZOH-CRAIPNDOSA-N 1 3 337.483 2.705 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001377149744 1344139561 /nfs/dbraw/zinc/13/95/61/1344139561.db2.gz HFHLLLPXFNSYTC-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001377149744 1344139562 /nfs/dbraw/zinc/13/95/62/1344139562.db2.gz HFHLLLPXFNSYTC-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001393804316 1357170462 /nfs/dbraw/zinc/17/04/62/1357170462.db2.gz LTCNQOODUZWRQA-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001393804775 1357170567 /nfs/dbraw/zinc/17/05/67/1357170567.db2.gz WJAIFAXOYZPEOJ-HKUYNNGSSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001377572093 1344182003 /nfs/dbraw/zinc/18/20/03/1344182003.db2.gz GLSRXMAEWWXARH-DLBZAZTESA-N 1 3 337.895 2.716 20 0 EFADHO C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377659889 1344281377 /nfs/dbraw/zinc/28/13/77/1344281377.db2.gz GVCXLBUXBYFSFA-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCCC1CCCC1)C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001377659889 1344281381 /nfs/dbraw/zinc/28/13/81/1344281381.db2.gz GVCXLBUXBYFSFA-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001377724292 1344374639 /nfs/dbraw/zinc/37/46/39/1344374639.db2.gz SEUCLRMFAYCIGV-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001377724292 1344374643 /nfs/dbraw/zinc/37/46/43/1344374643.db2.gz SEUCLRMFAYCIGV-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001377761294 1344410407 /nfs/dbraw/zinc/41/04/07/1344410407.db2.gz ONHFEKZSSVVGHK-HXUWFJFHSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC001377761294 1344410408 /nfs/dbraw/zinc/41/04/08/1344410408.db2.gz ONHFEKZSSVVGHK-HXUWFJFHSA-N 1 3 345.531 2.926 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001377853570 1344513669 /nfs/dbraw/zinc/51/36/69/1344513669.db2.gz QHOKAONTLNDPDT-KRWDZBQOSA-N 1 3 349.544 2.747 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001378063324 1344715965 /nfs/dbraw/zinc/71/59/65/1344715965.db2.gz ISYHODFNXGEPBE-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001378063324 1344715969 /nfs/dbraw/zinc/71/59/69/1344715969.db2.gz ISYHODFNXGEPBE-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001378074601 1344730471 /nfs/dbraw/zinc/73/04/71/1344730471.db2.gz DVGJDJONYDWQME-YSIASYRMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001378074601 1344730474 /nfs/dbraw/zinc/73/04/74/1344730474.db2.gz DVGJDJONYDWQME-YSIASYRMSA-N 1 3 343.515 2.841 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(Cc2ccccc2C2CC2)C1 ZINC001378078613 1344733962 /nfs/dbraw/zinc/73/39/62/1344733962.db2.gz YAYQLTQPMLGRKM-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001378167115 1344835898 /nfs/dbraw/zinc/83/58/98/1344835898.db2.gz QYDCTTRPMBSREY-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378548004 1345154884 /nfs/dbraw/zinc/15/48/84/1345154884.db2.gz KAJQOOUXDBJUBT-MAUKXSAKSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001378614590 1345199011 /nfs/dbraw/zinc/19/90/11/1345199011.db2.gz NTKDRDVCXFNLAS-HKUYNNGSSA-N 1 3 333.520 2.732 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001378614594 1345199587 /nfs/dbraw/zinc/19/95/87/1345199587.db2.gz NTKDRDVCXFNLAS-IEBWSBKVSA-N 1 3 333.520 2.732 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccc(F)cc3)CCCC2)CCC1 ZINC001378691174 1345252286 /nfs/dbraw/zinc/25/22/86/1345252286.db2.gz HQYUNSRYTOLQDJ-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378771265 1345303758 /nfs/dbraw/zinc/30/37/58/1345303758.db2.gz CPUGGAVYTFPIQK-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378779951 1345311189 /nfs/dbraw/zinc/31/11/89/1345311189.db2.gz YDUFBSVNMDRLKX-KBXCAEBGSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001378821285 1345339938 /nfs/dbraw/zinc/33/99/38/1345339938.db2.gz KZTRJUSXXZMLAC-SUMWQHHRSA-N 1 3 332.423 2.679 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001378821282 1345340008 /nfs/dbraw/zinc/34/00/08/1345340008.db2.gz KZTRJUSXXZMLAC-DYVFJYSZSA-N 1 3 332.423 2.679 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001378836205 1345350132 /nfs/dbraw/zinc/35/01/32/1345350132.db2.gz XPEQKYBTCFQSBS-WBMJQRKESA-N 1 3 343.874 2.756 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cccc(F)c1 ZINC001379046121 1345529332 /nfs/dbraw/zinc/52/93/32/1345529332.db2.gz NRUBOWARWCOXJS-ZWKOTPCHSA-N 1 3 337.483 2.642 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001379063611 1345543919 /nfs/dbraw/zinc/54/39/19/1345543919.db2.gz KFBDLACPMACCEX-IBGZPJMESA-N 1 3 333.520 2.780 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)Cc1ccc(CF)cc1)[NH+](C)C ZINC001379063704 1345544062 /nfs/dbraw/zinc/54/40/62/1345544062.db2.gz LEHFSNOUSKITDH-SFHVURJKSA-N 1 3 337.483 2.633 20 0 EFADHO C[C@H](C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1)[NH+]1CCCCCC1 ZINC001418069639 1373575376 /nfs/dbraw/zinc/57/53/76/1373575376.db2.gz DDPXHCOYJQYEMH-MGPQQGTHSA-N 1 3 348.318 2.807 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001379101798 1345579029 /nfs/dbraw/zinc/57/90/29/1345579029.db2.gz WNDWGYZKGKBRSZ-ZWKOTPCHSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)c1 ZINC001379101798 1345579033 /nfs/dbraw/zinc/57/90/33/1345579033.db2.gz WNDWGYZKGKBRSZ-ZWKOTPCHSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001379101796 1345579207 /nfs/dbraw/zinc/57/92/07/1345579207.db2.gz WNDWGYZKGKBRSZ-QZTJIDSGSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001379101796 1345579211 /nfs/dbraw/zinc/57/92/11/1345579211.db2.gz WNDWGYZKGKBRSZ-QZTJIDSGSA-N 1 3 331.504 2.788 20 0 EFADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001379232042 1345671569 /nfs/dbraw/zinc/67/15/69/1345671569.db2.gz VDMPQBMRIRZJAK-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001379317845 1345721325 /nfs/dbraw/zinc/72/13/25/1345721325.db2.gz CTVYRPOUJXUNGU-MOPGFXCFSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001393892682 1357262741 /nfs/dbraw/zinc/26/27/41/1357262741.db2.gz CVBRSRQYFSTBGH-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CCC3CC3)C2)C1 ZINC001393892682 1357262744 /nfs/dbraw/zinc/26/27/44/1357262744.db2.gz CVBRSRQYFSTBGH-MOPGFXCFSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)NC(=O)CN(C)C1CCC1 ZINC001379516637 1345822370 /nfs/dbraw/zinc/82/23/70/1345822370.db2.gz NLBTXICDRMSWPU-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(F)(F)F)N(C)C ZINC001379582614 1345887639 /nfs/dbraw/zinc/88/76/39/1345887639.db2.gz PVHRWFPUYANCNZ-WFASDCNBSA-N 1 3 345.409 2.640 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)CCC[NH+]1CCCC1 ZINC001379596515 1345908091 /nfs/dbraw/zinc/90/80/91/1345908091.db2.gz GRRDEYCPMKSXJD-HNNXBMFYSA-N 1 3 337.895 2.810 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379687979 1347260235 /nfs/dbraw/zinc/26/02/35/1347260235.db2.gz ZURXMFBGHNNZCI-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379687979 1347260237 /nfs/dbraw/zinc/26/02/37/1347260237.db2.gz ZURXMFBGHNNZCI-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001379723941 1347287029 /nfs/dbraw/zinc/28/70/29/1347287029.db2.gz NOOZBQHGRLAASS-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001379789518 1347338323 /nfs/dbraw/zinc/33/83/23/1347338323.db2.gz JDTKPHRGGIXXTE-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001379908974 1347400494 /nfs/dbraw/zinc/40/04/94/1347400494.db2.gz LINIGOQLORWKGV-MOPGFXCFSA-N 1 3 347.478 2.639 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)CN(C)C2CCC2)CC1 ZINC001380098981 1347514651 /nfs/dbraw/zinc/51/46/51/1347514651.db2.gz BHYLIUDNMFDGPP-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C[C@@H]1C ZINC001380268971 1347562666 /nfs/dbraw/zinc/56/26/66/1347562666.db2.gz OAAOPSHHCJXPTQ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cccc(OC)c2)CC1)N(C)C ZINC001380293648 1347572583 /nfs/dbraw/zinc/57/25/83/1347572583.db2.gz ICIYRNODNWHZNY-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001380379281 1347630645 /nfs/dbraw/zinc/63/06/45/1347630645.db2.gz RZJYHKLRJWIJGP-OAQYLSRUSA-N 1 3 343.515 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001380404428 1347650210 /nfs/dbraw/zinc/65/02/10/1347650210.db2.gz WZDHGVLDXNDYOL-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001380423629 1347661511 /nfs/dbraw/zinc/66/15/11/1347661511.db2.gz OFDJSWCPDYHGIK-AZUAARDMSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl)N(C)C ZINC001380693436 1347817651 /nfs/dbraw/zinc/81/76/51/1347817651.db2.gz UIDXFMKPDHYRPM-MNHMVFLPSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl)N(C)C ZINC001380693436 1347817654 /nfs/dbraw/zinc/81/76/54/1347817654.db2.gz UIDXFMKPDHYRPM-MNHMVFLPSA-N 1 3 341.927 2.684 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC2CC2)cc1)N(C)C ZINC001380779447 1347870178 /nfs/dbraw/zinc/87/01/78/1347870178.db2.gz GYGMTZBPUUBILP-DNVCBOLYSA-N 1 3 331.504 2.950 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@H](CC)N(C)C)CCC2)c1 ZINC001380896495 1347943050 /nfs/dbraw/zinc/94/30/50/1347943050.db2.gz PQPYBPGCLRPYJD-SFHVURJKSA-N 1 3 331.504 2.718 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001380989747 1348008789 /nfs/dbraw/zinc/00/87/89/1348008789.db2.gz QLZCNEZQKTWRFP-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1ncccc1C ZINC001380989747 1348008792 /nfs/dbraw/zinc/00/87/92/1348008792.db2.gz QLZCNEZQKTWRFP-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991112 1348009981 /nfs/dbraw/zinc/00/99/81/1348009981.db2.gz UPCBEAFMSVCPEG-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991112 1348009983 /nfs/dbraw/zinc/00/99/83/1348009983.db2.gz UPCBEAFMSVCPEG-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CCC([NH2+]C/C=C\Cl)CC2)CCC1 ZINC001394011255 1357383951 /nfs/dbraw/zinc/38/39/51/1357383951.db2.gz XIXCQGAISREBNE-XGICHPGQSA-N 1 3 327.900 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](CC)C/C=C/Cl)CC1)N(C)C ZINC001381255874 1348167004 /nfs/dbraw/zinc/16/70/04/1348167004.db2.gz MSLAWDQSFNERBR-JCVNQNCUSA-N 1 3 329.916 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](CC)C/C=C/Cl)CC1)N(C)C ZINC001381255874 1348167007 /nfs/dbraw/zinc/16/70/07/1348167007.db2.gz MSLAWDQSFNERBR-JCVNQNCUSA-N 1 3 329.916 2.640 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001381313084 1348205928 /nfs/dbraw/zinc/20/59/28/1348205928.db2.gz LRIRTDMRDBXKTM-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001381313084 1348205930 /nfs/dbraw/zinc/20/59/30/1348205930.db2.gz LRIRTDMRDBXKTM-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C)c1)N(C)C ZINC001381469791 1348295729 /nfs/dbraw/zinc/29/57/29/1348295729.db2.gz QMXHDNXCYOISDA-GOSISDBHSA-N 1 3 333.520 2.909 20 0 EFADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001381470042 1348296314 /nfs/dbraw/zinc/29/63/14/1348296314.db2.gz RELVNXQZVWRYTM-UHFFFAOYSA-N 1 3 345.478 2.590 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001381483044 1348303311 /nfs/dbraw/zinc/30/33/11/1348303311.db2.gz UGNUFULEHUCHJD-UHFFFAOYSA-N 1 3 342.487 2.843 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc(CF)cc1 ZINC001381526587 1348330928 /nfs/dbraw/zinc/33/09/28/1348330928.db2.gz AYFIEUCNAIAXHC-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc(CF)cc1 ZINC001381526587 1348330932 /nfs/dbraw/zinc/33/09/32/1348330932.db2.gz AYFIEUCNAIAXHC-HNNXBMFYSA-N 1 3 335.467 2.577 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381595757 1348390244 /nfs/dbraw/zinc/39/02/44/1348390244.db2.gz CNCHRFVZWAZCDE-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001381595757 1348390247 /nfs/dbraw/zinc/39/02/47/1348390247.db2.gz CNCHRFVZWAZCDE-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC001381622608 1348412020 /nfs/dbraw/zinc/41/20/20/1348412020.db2.gz IJUUNJLGGHXEKO-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccc(F)cc1 ZINC001381622770 1348412080 /nfs/dbraw/zinc/41/20/80/1348412080.db2.gz WQRWSCVHCWUQRE-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001381628450 1348415038 /nfs/dbraw/zinc/41/50/38/1348415038.db2.gz OJWUVGHOKPXJBF-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001381628450 1348415041 /nfs/dbraw/zinc/41/50/41/1348415041.db2.gz OJWUVGHOKPXJBF-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cncc(C)c1 ZINC001381763075 1348511314 /nfs/dbraw/zinc/51/13/14/1348511314.db2.gz IKUIWJYXOWVECV-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cncc(C)c1 ZINC001381763075 1348511315 /nfs/dbraw/zinc/51/13/15/1348511315.db2.gz IKUIWJYXOWVECV-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001381801114 1348535002 /nfs/dbraw/zinc/53/50/02/1348535002.db2.gz CLZLXDTZBPSGAV-DLBZAZTESA-N 1 3 331.504 2.916 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN([C@H](C)c2ccccc2)C1 ZINC001381801114 1348535005 /nfs/dbraw/zinc/53/50/05/1348535005.db2.gz CLZLXDTZBPSGAV-DLBZAZTESA-N 1 3 331.504 2.916 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001381811473 1348543138 /nfs/dbraw/zinc/54/31/38/1348543138.db2.gz ZUHZLKVCALDEFW-QFBILLFUSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001381811425 1348543399 /nfs/dbraw/zinc/54/33/99/1348543399.db2.gz ZITQWNWRBCPWIH-VQIMIIECSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001381936435 1348615016 /nfs/dbraw/zinc/61/50/16/1348615016.db2.gz YSYPKJYQFLPVQM-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001381936435 1348615019 /nfs/dbraw/zinc/61/50/19/1348615019.db2.gz YSYPKJYQFLPVQM-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1 ZINC001381989675 1348645249 /nfs/dbraw/zinc/64/52/49/1348645249.db2.gz PVSMHQRJBGTSEO-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1 ZINC001381989675 1348645251 /nfs/dbraw/zinc/64/52/51/1348645251.db2.gz PVSMHQRJBGTSEO-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001382021667 1348667751 /nfs/dbraw/zinc/66/77/51/1348667751.db2.gz VMHNMFRFRYHTNK-UXHICEINSA-N 1 3 345.531 2.908 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001382154020 1348774755 /nfs/dbraw/zinc/77/47/55/1348774755.db2.gz DAKXPDVWZYDBJJ-KXBFYZLASA-N 1 3 342.487 2.512 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)CCC[NH+]1CCCC1 ZINC001382307325 1348858594 /nfs/dbraw/zinc/85/85/94/1348858594.db2.gz FQVDRNHDLRXXNR-AEFFLSMTSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394076235 1357443731 /nfs/dbraw/zinc/44/37/31/1357443731.db2.gz LLYLMCFLWKQYKF-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001394076235 1357443734 /nfs/dbraw/zinc/44/37/34/1357443734.db2.gz LLYLMCFLWKQYKF-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001394077681 1357446015 /nfs/dbraw/zinc/44/60/15/1357446015.db2.gz RVFDRJNFKVZXSM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001394077681 1357446021 /nfs/dbraw/zinc/44/60/21/1357446021.db2.gz RVFDRJNFKVZXSM-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)[C@H]1CCc2ccc(F)cc21 ZINC001394101964 1357473424 /nfs/dbraw/zinc/47/34/24/1357473424.db2.gz JYACMXTYFKSDKD-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001394139634 1357523537 /nfs/dbraw/zinc/52/35/37/1357523537.db2.gz OZDVJXFNJOEAKT-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C1CN(Cc2ccc(CF)cc2)C1)[NH+](C)C ZINC001394233123 1357623788 /nfs/dbraw/zinc/62/37/88/1357623788.db2.gz XKBZPZGMRGRSRW-BEFAXECRSA-N 1 3 349.494 2.679 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001394264034 1357649393 /nfs/dbraw/zinc/64/93/93/1357649393.db2.gz NCHRDXZGNDBPFU-UZLBHIALSA-N 1 3 345.531 2.772 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001388684668 1352918741 /nfs/dbraw/zinc/91/87/41/1352918741.db2.gz ZHCVMVQLHIURHK-KRDRHDLTSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001388700066 1352931173 /nfs/dbraw/zinc/93/11/73/1352931173.db2.gz UYVNSONAOWIHDJ-NZSAHSFTSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC001388717036 1352945111 /nfs/dbraw/zinc/94/51/11/1352945111.db2.gz XCOPBOVQKUSWLZ-WGSAOQKQSA-N 1 3 343.515 2.936 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001388722237 1352950083 /nfs/dbraw/zinc/95/00/83/1352950083.db2.gz NMKPAUPHGYIBHD-GUDVDZBRSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001388737693 1352965032 /nfs/dbraw/zinc/96/50/32/1352965032.db2.gz VZVLFVCMHDUCKJ-WDSOQIARSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001389510584 1353441980 /nfs/dbraw/zinc/44/19/80/1353441980.db2.gz NWQQNVLAGRWRMP-AJAZOWGGSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001389510584 1353441982 /nfs/dbraw/zinc/44/19/82/1353441982.db2.gz NWQQNVLAGRWRMP-AJAZOWGGSA-N 1 3 343.515 2.867 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001389673514 1353544597 /nfs/dbraw/zinc/54/45/97/1353544597.db2.gz WPDBMBHXVGFWLE-MOPGFXCFSA-N 1 3 331.504 2.628 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001389767488 1353609912 /nfs/dbraw/zinc/60/99/12/1353609912.db2.gz WCNJJEPJNZPESC-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001389767488 1353609916 /nfs/dbraw/zinc/60/99/16/1353609916.db2.gz WCNJJEPJNZPESC-MSOLQXFVSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001389856538 1353650612 /nfs/dbraw/zinc/65/06/12/1353650612.db2.gz NQPCURUWNODOBF-KZNAEPCWSA-N 1 3 329.488 2.859 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)C1CCC1 ZINC001389857509 1353650980 /nfs/dbraw/zinc/65/09/80/1353650980.db2.gz FMMXTNNVWZKFFT-IYARVYRRSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001389894797 1353673636 /nfs/dbraw/zinc/67/36/36/1353673636.db2.gz GFYGGQQZHBDUPU-DSIZOQBWSA-N 1 3 349.906 2.904 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390030346 1353752895 /nfs/dbraw/zinc/75/28/95/1353752895.db2.gz CZLJFGRLYQCGHT-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001390030346 1353752900 /nfs/dbraw/zinc/75/29/00/1353752900.db2.gz CZLJFGRLYQCGHT-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001390057432 1353772265 /nfs/dbraw/zinc/77/22/65/1353772265.db2.gz FBJJVMOQORXWRM-MRXNPFEDSA-N 1 3 334.508 2.915 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001390057432 1353772269 /nfs/dbraw/zinc/77/22/69/1353772269.db2.gz FBJJVMOQORXWRM-MRXNPFEDSA-N 1 3 334.508 2.915 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21)[NH+](C)C ZINC001390222605 1353933508 /nfs/dbraw/zinc/93/35/08/1353933508.db2.gz JFLSGQDMFGNAAF-RBPQIDMKSA-N 1 3 347.478 2.519 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001394675537 1357992609 /nfs/dbraw/zinc/99/26/09/1357992609.db2.gz YINGCJNSZVBMMA-MSOLQXFVSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC001390265541 1353964239 /nfs/dbraw/zinc/96/42/39/1353964239.db2.gz NRKXSOCSHQXTGZ-UHFFFAOYSA-N 1 3 331.504 2.854 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]CCc2cccs2)CC1)N(C)C ZINC001390267510 1353966229 /nfs/dbraw/zinc/96/62/29/1353966229.db2.gz ZOFKGFMOTGTNJO-DQPZFDDXSA-N 1 3 337.533 2.648 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001390405761 1354066917 /nfs/dbraw/zinc/06/69/17/1354066917.db2.gz RLOLJNUNFZGEKG-SUMWQHHRSA-N 1 3 349.906 2.906 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccccc2Cl)C1)C1CCC1 ZINC001394855134 1358160909 /nfs/dbraw/zinc/16/09/09/1358160909.db2.gz XTWVBGGEKXMKCD-UHFFFAOYSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001390482782 1354115996 /nfs/dbraw/zinc/11/59/96/1354115996.db2.gz NWGVWUAFMPHRQN-ZDUSSCGKSA-N 1 3 341.446 2.537 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001390600710 1354196603 /nfs/dbraw/zinc/19/66/03/1354196603.db2.gz BJAIPCVFKRYJES-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001390641019 1354240287 /nfs/dbraw/zinc/24/02/87/1354240287.db2.gz ZMXHMIPLTFRGRS-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001390641019 1354240292 /nfs/dbraw/zinc/24/02/92/1354240292.db2.gz ZMXHMIPLTFRGRS-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]Cc1cc(Cl)ccc1F ZINC001390647605 1354245564 /nfs/dbraw/zinc/24/55/64/1354245564.db2.gz QIRVGRXSVFAFMW-BLLLJJGKSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001390664806 1354258310 /nfs/dbraw/zinc/25/83/10/1354258310.db2.gz NUHJMMONORTACP-OAHLLOKOSA-N 1 3 335.467 2.625 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001390779739 1354367112 /nfs/dbraw/zinc/36/71/12/1354367112.db2.gz LHKDNCIHLIDSEL-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(C)cc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC001390779739 1354367116 /nfs/dbraw/zinc/36/71/16/1354367116.db2.gz LHKDNCIHLIDSEL-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2cccc(C)c2)C1 ZINC001390802717 1354390304 /nfs/dbraw/zinc/39/03/04/1354390304.db2.gz RNXPCZSJNVQTFQ-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2cccc(C)c2)C1 ZINC001390802717 1354390308 /nfs/dbraw/zinc/39/03/08/1354390308.db2.gz RNXPCZSJNVQTFQ-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847354 1354430836 /nfs/dbraw/zinc/43/08/36/1354430836.db2.gz NLBISZSNHPDMKX-BBRMVZONSA-N 1 3 325.884 2.789 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001390847354 1354430839 /nfs/dbraw/zinc/43/08/39/1354430839.db2.gz NLBISZSNHPDMKX-BBRMVZONSA-N 1 3 325.884 2.789 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(Cl)cc1 ZINC001390910768 1354509318 /nfs/dbraw/zinc/50/93/18/1354509318.db2.gz SENXYAJIQWAPST-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(Cl)cc1 ZINC001390910768 1354509320 /nfs/dbraw/zinc/50/93/20/1354509320.db2.gz SENXYAJIQWAPST-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC001391019760 1354695292 /nfs/dbraw/zinc/69/52/92/1354695292.db2.gz JMHYHNGKDXPXBZ-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC001391019760 1354695297 /nfs/dbraw/zinc/69/52/97/1354695297.db2.gz JMHYHNGKDXPXBZ-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001391098035 1354790552 /nfs/dbraw/zinc/79/05/52/1354790552.db2.gz BUGXHRKGLGHXBN-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCCc2ccc(C)cc2)C1)N(C)C ZINC001391098035 1354790555 /nfs/dbraw/zinc/79/05/55/1354790555.db2.gz BUGXHRKGLGHXBN-PMACEKPBSA-N 1 3 345.531 2.706 20 0 EFADHO Cc1cc(C)cc(CN(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)c1 ZINC001391175803 1354901927 /nfs/dbraw/zinc/90/19/27/1354901927.db2.gz PODVYOXGAASICU-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001391221619 1354944038 /nfs/dbraw/zinc/94/40/38/1354944038.db2.gz JRWAWTRLCHDBQP-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001391224675 1354946785 /nfs/dbraw/zinc/94/67/85/1354946785.db2.gz GKCJQORPVLGLGK-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001391340900 1355096823 /nfs/dbraw/zinc/09/68/23/1355096823.db2.gz QFQFQTAWCQIDIF-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001391340900 1355096826 /nfs/dbraw/zinc/09/68/26/1355096826.db2.gz QFQFQTAWCQIDIF-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO C[C@@H](C(=O)NCC1C[NH+](CCC2CCCC2)C1)N1CCCCCC1 ZINC001391500235 1355250527 /nfs/dbraw/zinc/25/05/27/1355250527.db2.gz ACADNGFMKZHKSG-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391552078 1355300021 /nfs/dbraw/zinc/30/00/21/1355300021.db2.gz BJTWBDCUJUJXEJ-OTWHNJEPSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001391552078 1355300023 /nfs/dbraw/zinc/30/00/23/1355300023.db2.gz BJTWBDCUJUJXEJ-OTWHNJEPSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001391553613 1355300727 /nfs/dbraw/zinc/30/07/27/1355300727.db2.gz QXJHIYHSFKHXAC-ICSRJNTNSA-N 1 3 345.531 2.889 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001391553613 1355300730 /nfs/dbraw/zinc/30/07/30/1355300730.db2.gz QXJHIYHSFKHXAC-ICSRJNTNSA-N 1 3 345.531 2.889 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391637301 1355384660 /nfs/dbraw/zinc/38/46/60/1355384660.db2.gz RWEFJGULTMVINB-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391637301 1355384665 /nfs/dbraw/zinc/38/46/65/1355384665.db2.gz RWEFJGULTMVINB-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001391696354 1355442710 /nfs/dbraw/zinc/44/27/10/1355442710.db2.gz PNDFFCTUEUJNIF-APWZRJJASA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)[C@H]1CCCc2ccccc21)N(C)C ZINC001399812115 1361512254 /nfs/dbraw/zinc/51/22/54/1361512254.db2.gz SDEUKIHVDAJJTR-OALUTQOASA-N 1 3 331.504 2.842 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)[C@H]1CCCc2ccccc21)N(C)C ZINC001399812115 1361512255 /nfs/dbraw/zinc/51/22/55/1361512255.db2.gz SDEUKIHVDAJJTR-OALUTQOASA-N 1 3 331.504 2.842 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001391717276 1355460917 /nfs/dbraw/zinc/46/09/17/1355460917.db2.gz FOHNZOAEUVUSJQ-DLBZAZTESA-N 1 3 341.446 2.535 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1csc(C)c1 ZINC001399954301 1361606336 /nfs/dbraw/zinc/60/63/36/1361606336.db2.gz LAAACTBFQNJETL-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1csc(C)c1 ZINC001399954301 1361606341 /nfs/dbraw/zinc/60/63/41/1361606341.db2.gz LAAACTBFQNJETL-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC2)CC1 ZINC001391848708 1355592340 /nfs/dbraw/zinc/59/23/40/1355592340.db2.gz UZGDFBQUIHXPKT-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)c1ccc(F)cc1 ZINC001391863482 1355602328 /nfs/dbraw/zinc/60/23/28/1355602328.db2.gz YXVDDYRJQVJXEA-MSOLQXFVSA-N 1 3 344.434 2.823 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001391898727 1355633046 /nfs/dbraw/zinc/63/30/46/1355633046.db2.gz IZKMLLALVMANED-CXAGYDPISA-N 1 3 339.911 2.831 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001391934856 1355661434 /nfs/dbraw/zinc/66/14/34/1355661434.db2.gz ZPNNEKUJRBGUCE-SJLPKXTDSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001391955925 1355679078 /nfs/dbraw/zinc/67/90/78/1355679078.db2.gz YNUPOSLKBOUQJA-KBXCAEBGSA-N 1 3 337.483 2.562 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3cccc(F)c3)CCCC2)CCC1 ZINC001392007018 1355710696 /nfs/dbraw/zinc/71/06/96/1355710696.db2.gz DEZYTCUXGQCUKS-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1)N(C)C ZINC001392013677 1355714859 /nfs/dbraw/zinc/71/48/59/1355714859.db2.gz XZRSSXFIJAWDTD-ZDUSSCGKSA-N 1 3 337.430 2.544 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001392069376 1355747517 /nfs/dbraw/zinc/74/75/17/1355747517.db2.gz BAQIONREOUJHIR-CYBMUJFWSA-N 1 3 337.533 2.786 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1 ZINC001392069620 1355747620 /nfs/dbraw/zinc/74/76/20/1355747620.db2.gz DGAXNBFEPDUMCV-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001392099822 1355766245 /nfs/dbraw/zinc/76/62/45/1355766245.db2.gz LAEJYMRTCAZFOJ-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001392120686 1355783209 /nfs/dbraw/zinc/78/32/09/1355783209.db2.gz UCUHLYJMLJWSFQ-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001392122671 1355784299 /nfs/dbraw/zinc/78/42/99/1355784299.db2.gz YJBBXHMUHLZQNP-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001392198375 1355855238 /nfs/dbraw/zinc/85/52/38/1355855238.db2.gz XYSGAUZUZRVTAD-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001392285559 1355942341 /nfs/dbraw/zinc/94/23/41/1355942341.db2.gz WRTIPOBVEKGEDH-UHFFFAOYSA-N 1 3 345.531 2.986 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c(C)c1 ZINC001392285559 1355942346 /nfs/dbraw/zinc/94/23/46/1355942346.db2.gz WRTIPOBVEKGEDH-UHFFFAOYSA-N 1 3 345.531 2.986 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001392302304 1355957929 /nfs/dbraw/zinc/95/79/29/1355957929.db2.gz DUKNIGZIEAIVJT-HNNXBMFYSA-N 1 3 335.467 2.619 20 0 EFADHO CN(CC(=O)N(C)CC[N@H+](C)CCc1cccs1)CC(C)(C)C ZINC001392310046 1355967884 /nfs/dbraw/zinc/96/78/84/1355967884.db2.gz GVKHXXMVSJWXHX-UHFFFAOYSA-N 1 3 339.549 2.659 20 0 EFADHO CN(CC(=O)N(C)CC[N@@H+](C)CCc1cccs1)CC(C)(C)C ZINC001392310046 1355967889 /nfs/dbraw/zinc/96/78/89/1355967889.db2.gz GVKHXXMVSJWXHX-UHFFFAOYSA-N 1 3 339.549 2.659 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001392479666 1356063501 /nfs/dbraw/zinc/06/35/01/1356063501.db2.gz GLISHESDKOUMEO-BEFAXECRSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1cccc(Cl)c1F)[NH+](C)C ZINC001392526150 1356099112 /nfs/dbraw/zinc/09/91/12/1356099112.db2.gz UALBRPBSIKZAAL-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001392610213 1356157802 /nfs/dbraw/zinc/15/78/02/1356157802.db2.gz JYYJNYFNCOFRAR-PKOBYXMFSA-N 1 3 333.520 2.792 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660361 1356207029 /nfs/dbraw/zinc/20/70/29/1356207029.db2.gz LOPDJAWHRTUZTP-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392660361 1356207033 /nfs/dbraw/zinc/20/70/33/1356207033.db2.gz LOPDJAWHRTUZTP-LPHOPBHVSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718263 1356272337 /nfs/dbraw/zinc/27/23/37/1356272337.db2.gz CFSSSZLBZYHYJP-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718263 1356272343 /nfs/dbraw/zinc/27/23/43/1356272343.db2.gz CFSSSZLBZYHYJP-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1)N(C)C ZINC001392791276 1356329280 /nfs/dbraw/zinc/32/92/80/1356329280.db2.gz FGEJQZYMUJGUGE-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001392796621 1356334313 /nfs/dbraw/zinc/33/43/13/1356334313.db2.gz XPRWNKNGANGXHW-HOTGVXAUSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392873334 1356396974 /nfs/dbraw/zinc/39/69/74/1356396974.db2.gz ZHPMDRUESXUWFN-PKOBYXMFSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H](C)N3CCCCCC3)CC2)c1 ZINC001392942273 1356451633 /nfs/dbraw/zinc/45/16/33/1356451633.db2.gz OUWJVKUAXCJXNP-GOSISDBHSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1cc(CNC2(CNC(=O)C3CC[NH+](C(C)C)CC3)CC2)cs1 ZINC001392944748 1356454398 /nfs/dbraw/zinc/45/43/98/1356454398.db2.gz ZALJWOOIDJXUJB-UHFFFAOYSA-N 1 3 349.544 2.915 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(C(F)F)c2)CC1)N(C)C ZINC001392950585 1356459247 /nfs/dbraw/zinc/45/92/47/1356459247.db2.gz PVKCXVNZAHMLKA-HNNXBMFYSA-N 1 3 339.430 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001393052597 1356540299 /nfs/dbraw/zinc/54/02/99/1356540299.db2.gz FDPNRKSGQISFSS-SFHVURJKSA-N 1 3 335.467 2.557 20 0 EFADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](Cc2ccc(F)cc2)CC1)N(C)C ZINC001393179486 1356684539 /nfs/dbraw/zinc/68/45/39/1356684539.db2.gz GPOSJBXHLHLBEF-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)CC(C)(C)C ZINC001393208508 1356723231 /nfs/dbraw/zinc/72/32/31/1356723231.db2.gz YATJPUUPJODQTB-HXUWFJFHSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1)CC(C)(C)C ZINC001393208508 1356723235 /nfs/dbraw/zinc/72/32/35/1356723235.db2.gz YATJPUUPJODQTB-HXUWFJFHSA-N 1 3 337.552 2.983 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)C[C@H]2C1 ZINC001393413410 1356829379 /nfs/dbraw/zinc/82/93/79/1356829379.db2.gz GSSPSNVAMRSDJI-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001402500718 1363743112 /nfs/dbraw/zinc/74/31/12/1363743112.db2.gz IRVJUKAWPRJWOD-WGSAOQKQSA-N 1 3 343.515 2.860 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001393602415 1356989342 /nfs/dbraw/zinc/98/93/42/1356989342.db2.gz PFTHSNFGPVROLD-DKISHCGFSA-N 1 3 341.927 2.976 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001393626253 1357018704 /nfs/dbraw/zinc/01/87/04/1357018704.db2.gz GCBRGSRPCXEHIA-VQTJNVASSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001393626253 1357018710 /nfs/dbraw/zinc/01/87/10/1357018710.db2.gz GCBRGSRPCXEHIA-VQTJNVASSA-N 1 3 343.515 2.939 20 0 EFADHO CCc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001393631151 1357025719 /nfs/dbraw/zinc/02/57/19/1357025719.db2.gz DHLAICXJDVAUJY-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001393631151 1357025723 /nfs/dbraw/zinc/02/57/23/1357025723.db2.gz DHLAICXJDVAUJY-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)CC1CC(F)(F)C1 ZINC001393641887 1357041787 /nfs/dbraw/zinc/04/17/87/1357041787.db2.gz SGZNMOJBSPPUHJ-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC(F)(F)C1 ZINC001393641887 1357041792 /nfs/dbraw/zinc/04/17/92/1357041792.db2.gz SGZNMOJBSPPUHJ-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001393645345 1357047015 /nfs/dbraw/zinc/04/70/15/1357047015.db2.gz XQNDYRFDELKQOY-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)N(C)C ZINC001393645345 1357047019 /nfs/dbraw/zinc/04/70/19/1357047019.db2.gz XQNDYRFDELKQOY-RBUKOAKNSA-N 1 3 349.494 2.934 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393682874 1357076287 /nfs/dbraw/zinc/07/62/87/1357076287.db2.gz ANCIRGMSTIHWEP-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CCC1CC1 ZINC001393682874 1357076292 /nfs/dbraw/zinc/07/62/92/1357076292.db2.gz ANCIRGMSTIHWEP-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001394488405 1357870065 /nfs/dbraw/zinc/87/00/65/1357870065.db2.gz KUHBKRCDUPBDBG-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC001394537685 1357923322 /nfs/dbraw/zinc/92/33/22/1357923322.db2.gz GKNANGUCAKTALJ-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1 ZINC001394545879 1357932893 /nfs/dbraw/zinc/93/28/93/1357932893.db2.gz WVJZOLPJGPGEJQ-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1cc2ccccc2o1 ZINC001394545879 1357932898 /nfs/dbraw/zinc/93/28/98/1357932898.db2.gz WVJZOLPJGPGEJQ-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394669639 1357986408 /nfs/dbraw/zinc/98/64/08/1357986408.db2.gz MVYKOMHZOAEISC-MAUKXSAKSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001394702062 1358027033 /nfs/dbraw/zinc/02/70/33/1358027033.db2.gz ABQUGFIWXLNJJJ-FUHWJXTLSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001394702056 1358027045 /nfs/dbraw/zinc/02/70/45/1358027045.db2.gz ABQUGFIWXLNJJJ-AEFFLSMTSA-N 1 3 349.494 2.850 20 0 EFADHO COC[C@@H](C)[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001394831205 1358131346 /nfs/dbraw/zinc/13/13/46/1358131346.db2.gz WNYCUSCPYQNPOR-CRAIPNDOSA-N 1 3 349.519 2.517 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C(C)(C)C)N(C)C ZINC001394837766 1358139181 /nfs/dbraw/zinc/13/91/81/1358139181.db2.gz UTPDEMBKKNACEZ-DLBZAZTESA-N 1 3 337.483 2.786 20 0 EFADHO C[C@@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001394853709 1358159831 /nfs/dbraw/zinc/15/98/31/1358159831.db2.gz KNXPUPIPYMNVNN-RWBZWWBESA-N 1 3 347.478 2.950 20 0 EFADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CC(NCC=C(Cl)Cl)C1 ZINC001394856767 1358162423 /nfs/dbraw/zinc/16/24/23/1358162423.db2.gz CLLABEMZECNKNC-UHFFFAOYSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(CC)c2)C1 ZINC001394858440 1358165359 /nfs/dbraw/zinc/16/53/59/1358165359.db2.gz VVVPFCSCABQZJJ-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC001394863267 1358170497 /nfs/dbraw/zinc/17/04/97/1358170497.db2.gz RFYZXEVATCPSOZ-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2Cl)C1 ZINC001394863267 1358170502 /nfs/dbraw/zinc/17/05/02/1358170502.db2.gz RFYZXEVATCPSOZ-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001394863630 1358172223 /nfs/dbraw/zinc/17/22/23/1358172223.db2.gz VPUSBQDSLOXXBX-ABHNRTSZSA-N 1 3 335.467 2.553 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1F)CC(C)(C)C ZINC001394865168 1358173593 /nfs/dbraw/zinc/17/35/93/1358173593.db2.gz AOMCKNJVZRNMGG-UHFFFAOYSA-N 1 3 349.494 2.919 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)c1ccccc1F ZINC001436882977 1387336154 /nfs/dbraw/zinc/33/61/54/1387336154.db2.gz IUBRAMVUNMQGLR-SJORKVTESA-N 1 3 347.478 2.953 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437074696 1387394686 /nfs/dbraw/zinc/39/46/86/1387394686.db2.gz ZAZDTBUFIWPGBO-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](NC(=O)CN(C)CC(C)(C)C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437074696 1387394692 /nfs/dbraw/zinc/39/46/92/1387394692.db2.gz ZAZDTBUFIWPGBO-AEFFLSMTSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001397056592 1359640605 /nfs/dbraw/zinc/64/06/05/1359640605.db2.gz QUFUUFJYLBECQJ-RHNCMZPLSA-N 1 3 347.478 2.603 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001397091755 1359669037 /nfs/dbraw/zinc/66/90/37/1359669037.db2.gz COYISYGWEWOBDK-LMMKCTJWSA-N 1 3 331.504 2.882 20 0 EFADHO C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001397103800 1359679246 /nfs/dbraw/zinc/67/92/46/1359679246.db2.gz XRLNYDKLKWJGCN-RLLQIKCJSA-N 1 3 343.515 2.936 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001397130235 1359693974 /nfs/dbraw/zinc/69/39/74/1359693974.db2.gz QGVJSIHDVKEHPU-IYARVYRRSA-N 1 3 331.504 2.649 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001397134361 1359696595 /nfs/dbraw/zinc/69/65/95/1359696595.db2.gz KRVLHXLCEFJTAM-UFYCRDLUSA-N 1 3 345.531 2.820 20 0 EFADHO CN(C[C@@H]1CCN1CCc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001397583215 1359979646 /nfs/dbraw/zinc/97/96/46/1359979646.db2.gz RWRRDAISMVMKFB-FQEVSTJZSA-N 1 3 343.515 2.638 20 0 EFADHO CN(C[C@H]1CCN1CCc1ccccc1)C(=O)CCC[NH+]1CCCC1 ZINC001397583219 1359980004 /nfs/dbraw/zinc/98/00/04/1359980004.db2.gz RWRRDAISMVMKFB-HXUWFJFHSA-N 1 3 343.515 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001397618791 1360006989 /nfs/dbraw/zinc/00/69/89/1360006989.db2.gz BXZQQLWFXSKTQN-QILLFSRXSA-N 1 3 349.906 2.666 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001397629955 1360014756 /nfs/dbraw/zinc/01/47/56/1360014756.db2.gz NKPXFQLTBJGQCS-LSTHTHJFSA-N 1 3 345.531 2.820 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001397664575 1360034471 /nfs/dbraw/zinc/03/44/71/1360034471.db2.gz NFPMREXBJMLYDW-SAABIXHNSA-N 1 3 349.494 2.788 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398210267 1360383095 /nfs/dbraw/zinc/38/30/95/1360383095.db2.gz UIJUZHPCFRAJOU-GDBMZVCRSA-N 1 3 345.478 2.733 20 0 EFADHO CN(CCF)C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001398456318 1360574975 /nfs/dbraw/zinc/57/49/75/1360574975.db2.gz JYLJWOQPKOCZBP-KRWDZBQOSA-N 1 3 349.494 2.544 20 0 EFADHO CN(CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001398459136 1360577669 /nfs/dbraw/zinc/57/76/69/1360577669.db2.gz SZBKQJDIYYZFIJ-GOSISDBHSA-N 1 3 331.504 2.649 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001398526696 1360625831 /nfs/dbraw/zinc/62/58/31/1360625831.db2.gz BURMBBHQEVGLOE-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001398552684 1360641317 /nfs/dbraw/zinc/64/13/17/1360641317.db2.gz IAKPRAJCBCPAIG-GUDVDZBRSA-N 1 3 331.504 2.626 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001398556632 1360643546 /nfs/dbraw/zinc/64/35/46/1360643546.db2.gz QVIJNILZOYXSBS-BNEJOLLZSA-N 1 3 335.467 2.710 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1 ZINC001398560342 1360645921 /nfs/dbraw/zinc/64/59/21/1360645921.db2.gz ISFGIAYEJCOVGA-YFTNUUPDSA-N 1 3 349.906 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC001398568874 1360650220 /nfs/dbraw/zinc/65/02/20/1360650220.db2.gz UFFGJELKKFZUDM-JYJNAYRXSA-N 1 3 345.478 2.635 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001398589194 1360660280 /nfs/dbraw/zinc/66/02/80/1360660280.db2.gz MBSYOQRMDKDKKG-MMJIPABNSA-N 1 3 339.911 2.727 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF)N1CCCCC1 ZINC001398726827 1360744588 /nfs/dbraw/zinc/74/45/88/1360744588.db2.gz FXIWSZFONSVGLI-INIZCTEOSA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCCF)N1CCCCC1 ZINC001398726827 1360744593 /nfs/dbraw/zinc/74/45/93/1360744593.db2.gz FXIWSZFONSVGLI-INIZCTEOSA-N 1 3 327.488 2.581 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001398742197 1360755878 /nfs/dbraw/zinc/75/58/78/1360755878.db2.gz NLMMOAGQCBEZGD-DLBZAZTESA-N 1 3 325.541 2.839 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]Cc2ccccn2)CC1)CC(C)(C)C ZINC001398838088 1360825248 /nfs/dbraw/zinc/82/52/48/1360825248.db2.gz GZNJDXANZSOIJE-UHFFFAOYSA-N 1 3 346.519 2.577 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc2ccccc21 ZINC001398939268 1360882915 /nfs/dbraw/zinc/88/29/15/1360882915.db2.gz FMDZVRDEHXRTIX-INIZCTEOSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001398943344 1360885547 /nfs/dbraw/zinc/88/55/47/1360885547.db2.gz UXDWGOHLTJRANL-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001398953709 1360892685 /nfs/dbraw/zinc/89/26/85/1360892685.db2.gz QDDOZASVRZCZLS-VOKGJARPSA-N 1 3 349.906 2.932 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001398953699 1360892882 /nfs/dbraw/zinc/89/28/82/1360892882.db2.gz QDDOZASVRZCZLS-CSPWOOARSA-N 1 3 349.906 2.932 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1cc(C)ccc1C ZINC001492878639 1360926482 /nfs/dbraw/zinc/92/64/82/1360926482.db2.gz KFDLLVSBNNLXEB-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1cc(C)ccc1C ZINC001492878639 1360926485 /nfs/dbraw/zinc/92/64/85/1360926485.db2.gz KFDLLVSBNNLXEB-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)NCc1cc2ccccc2o1)[NH+](C)C ZINC001399024723 1360942174 /nfs/dbraw/zinc/94/21/74/1360942174.db2.gz GBYBHZQKHPGWGS-KBXCAEBGSA-N 1 3 331.460 2.613 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCCc1cccc(F)c1 ZINC001492878806 1360957054 /nfs/dbraw/zinc/95/70/54/1360957054.db2.gz NBGABTWFKDABBA-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCCc1cccc(F)c1 ZINC001492878806 1360957058 /nfs/dbraw/zinc/95/70/58/1360957058.db2.gz NBGABTWFKDABBA-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001399109956 1361001011 /nfs/dbraw/zinc/00/10/11/1361001011.db2.gz QSEYYXGOPKFWHW-HZPDHXFCSA-N 1 3 331.504 2.672 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001399109931 1361001127 /nfs/dbraw/zinc/00/11/27/1361001127.db2.gz QSEYYXGOPKFWHW-CVEARBPZSA-N 1 3 331.504 2.672 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001399244240 1361095108 /nfs/dbraw/zinc/09/51/08/1361095108.db2.gz JPQGOQMGDLEUAS-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001399265370 1361108816 /nfs/dbraw/zinc/10/88/16/1361108816.db2.gz QJOGKZVHVKOJEM-HZPDHXFCSA-N 1 3 349.544 2.792 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399483073 1361265982 /nfs/dbraw/zinc/26/59/82/1361265982.db2.gz MKVXWXRZKOMKMP-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001399483073 1361265986 /nfs/dbraw/zinc/26/59/86/1361265986.db2.gz MKVXWXRZKOMKMP-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)Cc2cccc3ccccc32)CCC1 ZINC001399499920 1361281614 /nfs/dbraw/zinc/28/16/14/1361281614.db2.gz VWNLMRQVSSZSOE-UHFFFAOYSA-N 1 3 339.483 2.872 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)Cc2cccc3ccccc32)CCC1 ZINC001399499920 1361281616 /nfs/dbraw/zinc/28/16/16/1361281616.db2.gz VWNLMRQVSSZSOE-UHFFFAOYSA-N 1 3 339.483 2.872 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001399513823 1361295500 /nfs/dbraw/zinc/29/55/00/1361295500.db2.gz NGYZOEPZWXTGLG-UHFFFAOYSA-N 1 3 349.906 2.825 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399568710 1361337925 /nfs/dbraw/zinc/33/79/25/1361337925.db2.gz IGSAAIWABNTXLG-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001399627375 1361384473 /nfs/dbraw/zinc/38/44/73/1361384473.db2.gz CJJQOMWGLPJWAD-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001399627375 1361384476 /nfs/dbraw/zinc/38/44/76/1361384476.db2.gz CJJQOMWGLPJWAD-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCc2ccc(F)cc21 ZINC001399704702 1361440490 /nfs/dbraw/zinc/44/04/90/1361440490.db2.gz GMFMPIWRUYOASZ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)[C@H]1CCc2ccc(F)cc21 ZINC001399704702 1361440492 /nfs/dbraw/zinc/44/04/92/1361440492.db2.gz GMFMPIWRUYOASZ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cccc(C)c1 ZINC001399766125 1361486742 /nfs/dbraw/zinc/48/67/42/1361486742.db2.gz NQLADOXMTASSNW-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cccc(C)c1 ZINC001399766125 1361486745 /nfs/dbraw/zinc/48/67/45/1361486745.db2.gz NQLADOXMTASSNW-ZWKOTPCHSA-N 1 3 331.504 2.836 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1cccc2cccnc21)N(C)C ZINC001399766024 1361486787 /nfs/dbraw/zinc/48/67/87/1361486787.db2.gz MXFYWRXJMICVAB-SFHVURJKSA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1cccc2cccnc21)N(C)C ZINC001399766024 1361486790 /nfs/dbraw/zinc/48/67/90/1361486790.db2.gz MXFYWRXJMICVAB-SFHVURJKSA-N 1 3 342.487 2.513 20 0 EFADHO CCN(C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399831722 1361522740 /nfs/dbraw/zinc/52/27/40/1361522740.db2.gz WJUQGDKQCIGEDY-BDUNBXCCSA-N 1 3 349.906 2.743 20 0 EFADHO CCN(C/C=C/c1ccc(Cl)cc1)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399831722 1361522742 /nfs/dbraw/zinc/52/27/42/1361522742.db2.gz WJUQGDKQCIGEDY-BDUNBXCCSA-N 1 3 349.906 2.743 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001399901534 1361563327 /nfs/dbraw/zinc/56/33/27/1361563327.db2.gz KWNDAMSTAVZXJR-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001399901534 1361563331 /nfs/dbraw/zinc/56/33/31/1361563331.db2.gz KWNDAMSTAVZXJR-WOJBJXKFSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399906991 1361567761 /nfs/dbraw/zinc/56/77/61/1361567761.db2.gz DCLTWEAKSAXJLZ-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001399906991 1361567764 /nfs/dbraw/zinc/56/77/64/1361567764.db2.gz DCLTWEAKSAXJLZ-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399938656 1361594347 /nfs/dbraw/zinc/59/43/47/1361594347.db2.gz DNWQDEUMJRSRDL-PXNSSMCTSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399938656 1361594350 /nfs/dbraw/zinc/59/43/50/1361594350.db2.gz DNWQDEUMJRSRDL-PXNSSMCTSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399938659 1361594884 /nfs/dbraw/zinc/59/48/84/1361594884.db2.gz DNWQDEUMJRSRDL-XLIONFOSSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001399938659 1361594888 /nfs/dbraw/zinc/59/48/88/1361594888.db2.gz DNWQDEUMJRSRDL-XLIONFOSSA-N 1 3 345.531 2.773 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001399948641 1361602409 /nfs/dbraw/zinc/60/24/09/1361602409.db2.gz SKZZIJRNMBOCOJ-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001399948641 1361602410 /nfs/dbraw/zinc/60/24/10/1361602410.db2.gz SKZZIJRNMBOCOJ-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1)N(C)C ZINC001399960290 1361613556 /nfs/dbraw/zinc/61/35/56/1361613556.db2.gz YZFAAZMOOFCIAW-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1)N(C)C ZINC001399960290 1361613558 /nfs/dbraw/zinc/61/35/58/1361613558.db2.gz YZFAAZMOOFCIAW-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21)N(C)C ZINC001400001584 1361653678 /nfs/dbraw/zinc/65/36/78/1361653678.db2.gz CXEHBJVNDWQVKX-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)N(C)C ZINC001400001584 1361653681 /nfs/dbraw/zinc/65/36/81/1361653681.db2.gz CXEHBJVNDWQVKX-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001400003635 1361655408 /nfs/dbraw/zinc/65/54/08/1361655408.db2.gz KSQUOGBEGWOILD-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001400003635 1361655412 /nfs/dbraw/zinc/65/54/12/1361655412.db2.gz KSQUOGBEGWOILD-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[NH+]1CCC(C(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)CC1 ZINC001400023943 1361674915 /nfs/dbraw/zinc/67/49/15/1361674915.db2.gz ATUXMVHUXLUSKR-UHFFFAOYSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001400028274 1361679652 /nfs/dbraw/zinc/67/96/52/1361679652.db2.gz LHGJVKQNKLJUII-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001400028274 1361679656 /nfs/dbraw/zinc/67/96/56/1361679656.db2.gz LHGJVKQNKLJUII-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001400075875 1361715740 /nfs/dbraw/zinc/71/57/40/1361715740.db2.gz AXZABAUUBTYEOY-GOSISDBHSA-N 1 3 345.531 2.788 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001400082320 1361721658 /nfs/dbraw/zinc/72/16/58/1361721658.db2.gz ISLAMIRCKSCFBT-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001400179231 1361818219 /nfs/dbraw/zinc/81/82/19/1361818219.db2.gz DFIDEBDIEGUNLX-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001400179231 1361818223 /nfs/dbraw/zinc/81/82/23/1361818223.db2.gz DFIDEBDIEGUNLX-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO C[N@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400249358 1361884572 /nfs/dbraw/zinc/88/45/72/1361884572.db2.gz FMUOOOJUBGIYFM-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001400249358 1361884573 /nfs/dbraw/zinc/88/45/73/1361884573.db2.gz FMUOOOJUBGIYFM-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001437330410 1387553189 /nfs/dbraw/zinc/55/31/89/1387553189.db2.gz LNTIIFIKJDTGRJ-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001400737401 1362129696 /nfs/dbraw/zinc/12/96/96/1362129696.db2.gz FPGKYDVVBRWRED-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1 ZINC001401029627 1362378975 /nfs/dbraw/zinc/37/89/75/1362378975.db2.gz FTEHLUFNOOFYKS-KKUMJFAQSA-N 1 3 349.441 2.830 20 0 EFADHO CCCN(C)CC(=O)N[C@@]1(C[NH2+]Cc2ccccn2)CCCC[C@@H]1C ZINC001401054686 1362398205 /nfs/dbraw/zinc/39/82/05/1362398205.db2.gz MHDPBRSDRKMGQO-FXAWDEMLSA-N 1 3 346.519 2.578 20 0 EFADHO O=C(NCCC1CCN(CCF)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001401073708 1362414283 /nfs/dbraw/zinc/41/42/83/1362414283.db2.gz DKRCXBJPXJTENM-SFHVURJKSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(NCCC1CCN(CCF)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001401073708 1362414287 /nfs/dbraw/zinc/41/42/87/1362414287.db2.gz DKRCXBJPXJTENM-SFHVURJKSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1CCN(C/C=C/Cl)CC1)[NH+](C)C ZINC001401079796 1362422867 /nfs/dbraw/zinc/42/28/67/1362422867.db2.gz QGGPVDHTEQAMQQ-DXWDOBMASA-N 1 3 329.916 2.543 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001401092084 1362434497 /nfs/dbraw/zinc/43/44/97/1362434497.db2.gz WFRGNKLHRRLFPP-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001401110473 1362449461 /nfs/dbraw/zinc/44/94/61/1362449461.db2.gz QZABSDLILRUVBT-HNAYVOBHSA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401133906 1362470065 /nfs/dbraw/zinc/47/00/65/1362470065.db2.gz VPZOERCGJRJODB-SJORKVTESA-N 1 3 337.552 2.887 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001401150023 1362486351 /nfs/dbraw/zinc/48/63/51/1362486351.db2.gz YYVAOIZCSWIQNP-HUUCEWRRSA-N 1 3 328.460 2.672 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001401150021 1362486417 /nfs/dbraw/zinc/48/64/17/1362486417.db2.gz YYVAOIZCSWIQNP-GJZGRUSLSA-N 1 3 328.460 2.672 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC=C(Cl)Cl)CCCC2)C1 ZINC001401184971 1362521732 /nfs/dbraw/zinc/52/17/32/1362521732.db2.gz FDAFEEPXPRCCCL-ZDUSSCGKSA-N 1 3 348.318 2.666 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001401221414 1362560406 /nfs/dbraw/zinc/56/04/06/1362560406.db2.gz QGPVKPBRCLXBRO-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001401258430 1362598261 /nfs/dbraw/zinc/59/82/61/1362598261.db2.gz LJCSXNXTICEMOP-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCc2c1cccc2F ZINC001401258431 1362598441 /nfs/dbraw/zinc/59/84/41/1362598441.db2.gz LJCSXNXTICEMOP-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001401258465 1362598787 /nfs/dbraw/zinc/59/87/87/1362598787.db2.gz LRJJEQDLCQFIGN-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001401365753 1362716692 /nfs/dbraw/zinc/71/66/92/1362716692.db2.gz GKRRHHWLWHEIQG-YLJYHZDGSA-N 1 3 345.531 2.870 20 0 EFADHO CCCc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001401365753 1362716694 /nfs/dbraw/zinc/71/66/94/1362716694.db2.gz GKRRHHWLWHEIQG-YLJYHZDGSA-N 1 3 345.531 2.870 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCCN1C ZINC001401378528 1362730024 /nfs/dbraw/zinc/73/00/24/1362730024.db2.gz PNPYQSIYLQWVDU-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2c1cccc2F)C(=O)[C@@H]1CCCCN1C ZINC001401378528 1362730028 /nfs/dbraw/zinc/73/00/28/1362730028.db2.gz PNPYQSIYLQWVDU-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001401385623 1362739395 /nfs/dbraw/zinc/73/93/95/1362739395.db2.gz KMKGVJDPAJCCRZ-MAUKXSAKSA-N 1 3 337.483 2.863 20 0 EFADHO Cc1cccc(C)c1CN(C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001401400791 1362757281 /nfs/dbraw/zinc/75/72/81/1362757281.db2.gz ORTUWONMSLZADX-UHFFFAOYSA-N 1 3 345.531 2.926 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001401434136 1362800629 /nfs/dbraw/zinc/80/06/29/1362800629.db2.gz TWPLUCABKFRLLL-OALUTQOASA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001401434136 1362800631 /nfs/dbraw/zinc/80/06/31/1362800631.db2.gz TWPLUCABKFRLLL-OALUTQOASA-N 1 3 331.504 2.794 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(F)cc1C ZINC001401437543 1362806192 /nfs/dbraw/zinc/80/61/92/1362806192.db2.gz JSALXXCXSSNQPF-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1ccc(F)cc1C ZINC001401437543 1362806197 /nfs/dbraw/zinc/80/61/97/1362806197.db2.gz JSALXXCXSSNQPF-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H]([NH2+]CC[C@H](C)NC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001401588678 1362953853 /nfs/dbraw/zinc/95/38/53/1362953853.db2.gz WZAWOWRGXMYAMP-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001401611239 1362971397 /nfs/dbraw/zinc/97/13/97/1362971397.db2.gz WDUCCBJZSDVIMT-OLZOCXBDSA-N 1 3 332.423 2.645 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001401624555 1362979767 /nfs/dbraw/zinc/97/97/67/1362979767.db2.gz FMYTYUWLLYOJMT-CYBMUJFWSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@H](CNCc1sccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001401633348 1362986049 /nfs/dbraw/zinc/98/60/49/1362986049.db2.gz WBZZTEVZJLKEHO-GFCCVEGCSA-N 1 3 341.908 2.624 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401687696 1363026082 /nfs/dbraw/zinc/02/60/82/1363026082.db2.gz WWKPQOSJGTXOMZ-AWEZNQCLSA-N 1 3 337.895 2.727 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401749201 1363082218 /nfs/dbraw/zinc/08/22/18/1363082218.db2.gz FVSVXEUWGDHCNR-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401749201 1363082222 /nfs/dbraw/zinc/08/22/22/1363082222.db2.gz FVSVXEUWGDHCNR-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1)N(C)C ZINC001401762724 1363098596 /nfs/dbraw/zinc/09/85/96/1363098596.db2.gz YBNJHGGRCYXEJT-WMZOPIPTSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001401762724 1363098598 /nfs/dbraw/zinc/09/85/98/1363098598.db2.gz YBNJHGGRCYXEJT-WMZOPIPTSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](CN(C)[C@H]1CCc2ccc(F)cc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401776229 1363114412 /nfs/dbraw/zinc/11/44/12/1363114412.db2.gz CRPNAQHOMJBFOH-KDOFPFPSSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785097 1363126025 /nfs/dbraw/zinc/12/60/25/1363126025.db2.gz RDATUVABIQQDPD-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785097 1363126027 /nfs/dbraw/zinc/12/60/27/1363126027.db2.gz RDATUVABIQQDPD-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001401815331 1363165358 /nfs/dbraw/zinc/16/53/58/1363165358.db2.gz DSXGDCZQGHRTBG-HKUYNNGSSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402038610 1363349756 /nfs/dbraw/zinc/34/97/56/1363349756.db2.gz VCCTZZFHGBDNRG-HIFRSBDPSA-N 1 3 349.441 2.782 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C3(C[NH+](C)C)CC3)CC2)cs1 ZINC001402048935 1363357987 /nfs/dbraw/zinc/35/79/87/1363357987.db2.gz XZNOGLWZXMQKPR-UHFFFAOYSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCc2ccccc2F)CC1 ZINC001402065559 1363372241 /nfs/dbraw/zinc/37/22/41/1363372241.db2.gz IPHAQKQMILPYPZ-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001402162022 1363469757 /nfs/dbraw/zinc/46/97/57/1363469757.db2.gz VJEDYKLUEDPSAV-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001402169207 1363476191 /nfs/dbraw/zinc/47/61/91/1363476191.db2.gz IQDAADGZTLANSK-FPOVZHCZSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001402173216 1363480172 /nfs/dbraw/zinc/48/01/72/1363480172.db2.gz LTQOWKFJTFCKID-UYAOXDASSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001437418215 1387628900 /nfs/dbraw/zinc/62/89/00/1387628900.db2.gz MBXTUZHRFXQIGZ-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001402196994 1363504739 /nfs/dbraw/zinc/50/47/39/1363504739.db2.gz LRBUAUGISZLYEX-AZUAARDMSA-N 1 3 331.504 2.663 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@]1(C)CCCN(Cc2cccc(F)c2)C1 ZINC001402204354 1363515166 /nfs/dbraw/zinc/51/51/66/1363515166.db2.gz DFITYAXKDBUQTD-FQEVSTJZSA-N 1 3 349.494 2.886 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001402250424 1363570265 /nfs/dbraw/zinc/57/02/65/1363570265.db2.gz UTTIIUNOXPKNBX-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001402311780 1363599669 /nfs/dbraw/zinc/59/96/69/1363599669.db2.gz IWAHVHUSQWBPEU-PMACEKPBSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001402381798 1363639903 /nfs/dbraw/zinc/63/99/03/1363639903.db2.gz VZWBJVKESKQJAZ-SFHVURJKSA-N 1 3 332.492 2.715 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001402488524 1363733342 /nfs/dbraw/zinc/73/33/42/1363733342.db2.gz CMSFHVNCCAJJQX-BZSNNMDCSA-N 1 3 347.478 2.998 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001402514709 1363753434 /nfs/dbraw/zinc/75/34/34/1363753434.db2.gz IDLBBTDPZWOVLA-QAQDUYKDSA-N 1 3 335.467 2.540 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001402637566 1363867988 /nfs/dbraw/zinc/86/79/88/1363867988.db2.gz WMFZRGJSHQTCPE-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cccnc1C ZINC001402637566 1363867990 /nfs/dbraw/zinc/86/79/90/1363867990.db2.gz WMFZRGJSHQTCPE-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001402682334 1363931798 /nfs/dbraw/zinc/93/17/98/1363931798.db2.gz PBQHWEGXGTXRRH-ROUUACIJSA-N 1 3 341.515 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001402682334 1363931801 /nfs/dbraw/zinc/93/18/01/1363931801.db2.gz PBQHWEGXGTXRRH-ROUUACIJSA-N 1 3 341.515 2.638 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC001402687674 1363937099 /nfs/dbraw/zinc/93/70/99/1363937099.db2.gz QZVARAKLZQBRJS-HNNXBMFYSA-N 1 3 349.441 2.643 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccccc1)N(C)C ZINC001402753603 1364000996 /nfs/dbraw/zinc/00/09/96/1364000996.db2.gz XMMJZVGFGZAXKO-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCc1ccccc1)N(C)C ZINC001402753603 1364000999 /nfs/dbraw/zinc/00/09/99/1364000999.db2.gz XMMJZVGFGZAXKO-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001402822872 1364070240 /nfs/dbraw/zinc/07/02/40/1364070240.db2.gz BNCZMESDQMDQCY-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001402832719 1364076607 /nfs/dbraw/zinc/07/66/07/1364076607.db2.gz SOZOXQQCRYIPHY-UHFFFAOYSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001402853572 1364093028 /nfs/dbraw/zinc/09/30/28/1364093028.db2.gz LNUSPUGQQCCPOO-STQMWFEESA-N 1 3 332.423 2.645 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001402854375 1364093544 /nfs/dbraw/zinc/09/35/44/1364093544.db2.gz QBRYMUFXRMYDBY-GUYCJALGSA-N 1 3 341.446 2.535 20 0 EFADHO CC[N@H+](CCC1CC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001402887685 1364111278 /nfs/dbraw/zinc/11/12/78/1364111278.db2.gz JVWWRDVQECXFGV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CCC1CC1)CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001402887685 1364111281 /nfs/dbraw/zinc/11/12/81/1364111281.db2.gz JVWWRDVQECXFGV-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](C/C=C\Cl)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402891690 1364113936 /nfs/dbraw/zinc/11/39/36/1364113936.db2.gz SGPPELFPODCNSH-JEZWAEDTSA-N 1 3 343.943 2.886 20 0 EFADHO CC[N@@H+](C/C=C\Cl)CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001402891690 1364113937 /nfs/dbraw/zinc/11/39/37/1364113937.db2.gz SGPPELFPODCNSH-JEZWAEDTSA-N 1 3 343.943 2.886 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402891692 1364113982 /nfs/dbraw/zinc/11/39/82/1364113982.db2.gz SGPPELFPODCNSH-PYUISTEWSA-N 1 3 343.943 2.886 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001402891692 1364113984 /nfs/dbraw/zinc/11/39/84/1364113984.db2.gz SGPPELFPODCNSH-PYUISTEWSA-N 1 3 343.943 2.886 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1Cl ZINC001402981501 1364179398 /nfs/dbraw/zinc/17/93/98/1364179398.db2.gz OKQMCIJZDMLBHY-KGLIPLIRSA-N 1 3 337.895 2.837 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001402984116 1364181799 /nfs/dbraw/zinc/18/17/99/1364181799.db2.gz AKSZBXSHXPVMAW-PKOBYXMFSA-N 1 3 333.520 2.792 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001403150057 1364368199 /nfs/dbraw/zinc/36/81/99/1364368199.db2.gz RYPDSZNBEDREIR-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001403150057 1364368203 /nfs/dbraw/zinc/36/82/03/1364368203.db2.gz RYPDSZNBEDREIR-OXQOHEQNSA-N 1 3 343.515 2.985 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1)C1CCC1 ZINC001437473782 1387675443 /nfs/dbraw/zinc/67/54/43/1387675443.db2.gz XVALDTCBOFHPKU-UHFFFAOYSA-N 1 3 339.483 2.872 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1)C1CCC1 ZINC001437473782 1387675445 /nfs/dbraw/zinc/67/54/45/1387675445.db2.gz XVALDTCBOFHPKU-UHFFFAOYSA-N 1 3 339.483 2.872 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C/C=C\c1ccccc1 ZINC001403169800 1364390519 /nfs/dbraw/zinc/39/05/19/1364390519.db2.gz ZOOMCNMLKPLLGF-SNMSSPIJSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C/C=C/c1ccccc1 ZINC001403169799 1364391234 /nfs/dbraw/zinc/39/12/34/1364391234.db2.gz ZOOMCNMLKPLLGF-QKIXSCASSA-N 1 3 341.499 2.765 20 0 EFADHO COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403175170 1364397831 /nfs/dbraw/zinc/39/78/31/1364397831.db2.gz STEDWUXNIVCZBD-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO COc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001403175170 1364397834 /nfs/dbraw/zinc/39/78/34/1364397834.db2.gz STEDWUXNIVCZBD-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)CC(C)(C)C)C2)cs1 ZINC001403194788 1364422014 /nfs/dbraw/zinc/42/20/14/1364422014.db2.gz SOAOCLKDQHTSJG-INIZCTEOSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001403198929 1364426606 /nfs/dbraw/zinc/42/66/06/1364426606.db2.gz VXAXSUKBSFVZFD-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001403198929 1364426611 /nfs/dbraw/zinc/42/66/11/1364426611.db2.gz VXAXSUKBSFVZFD-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1cccc(F)c1 ZINC001403219966 1364442030 /nfs/dbraw/zinc/44/20/30/1364442030.db2.gz GDIFWLRBDSETFK-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001403241954 1364455000 /nfs/dbraw/zinc/45/50/00/1364455000.db2.gz LSVILBJSSPQTEC-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\Cl ZINC001403249459 1364460525 /nfs/dbraw/zinc/46/05/25/1364460525.db2.gz AYZZKSSASZSIFG-OCOPJHETSA-N 1 3 329.916 2.686 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001403295366 1364511362 /nfs/dbraw/zinc/51/13/62/1364511362.db2.gz BYWDWJZRNLOIFL-CVEARBPZSA-N 1 3 329.488 2.668 20 0 EFADHO Cc1cc(C)cc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c1 ZINC001403319812 1364536770 /nfs/dbraw/zinc/53/67/70/1364536770.db2.gz TVNKCWHDXMXKBC-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C2CC2)C1)N(C)C ZINC001403362330 1364574175 /nfs/dbraw/zinc/57/41/75/1364574175.db2.gz YZNXKVIWLDFRFO-QRWLVFNGSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001403406988 1364611379 /nfs/dbraw/zinc/61/13/79/1364611379.db2.gz OHEXIDGLAGFNBL-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1Cl ZINC001403414584 1364618825 /nfs/dbraw/zinc/61/88/25/1364618825.db2.gz UGBVFJQDVSWIHW-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1Cl ZINC001403414600 1364619061 /nfs/dbraw/zinc/61/90/61/1364619061.db2.gz UGBVFJQDVSWIHW-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@H](C)CC(C)C)CC1)N(C)C ZINC001403480060 1364685702 /nfs/dbraw/zinc/68/57/02/1364685702.db2.gz DIHOECMQCORTBN-AEFFLSMTSA-N 1 3 325.541 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)CC(C)C)CC1)N(C)C ZINC001403480060 1364685704 /nfs/dbraw/zinc/68/57/04/1364685704.db2.gz DIHOECMQCORTBN-AEFFLSMTSA-N 1 3 325.541 2.932 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403523838 1364729137 /nfs/dbraw/zinc/72/91/37/1364729137.db2.gz JDZWLSXGZMZWCS-VQTJNVASSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001403523833 1364729747 /nfs/dbraw/zinc/72/97/47/1364729747.db2.gz JDZWLSXGZMZWCS-UXHICEINSA-N 1 3 345.531 2.908 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)c1 ZINC001403556269 1364757506 /nfs/dbraw/zinc/75/75/06/1364757506.db2.gz OSBQKEBFJYOQDI-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001403562295 1364763688 /nfs/dbraw/zinc/76/36/88/1364763688.db2.gz SURFGMQYZFWMQH-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001403613591 1364816824 /nfs/dbraw/zinc/81/68/24/1364816824.db2.gz YGPBFHDFOBHFTL-LJQANCHMSA-N 1 3 349.494 2.537 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCc1ccccc1F ZINC001403613591 1364816827 /nfs/dbraw/zinc/81/68/27/1364816827.db2.gz YGPBFHDFOBHFTL-LJQANCHMSA-N 1 3 349.494 2.537 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1c(C)cccc1Cl ZINC001403635076 1364838744 /nfs/dbraw/zinc/83/87/44/1364838744.db2.gz URQWAWAWUXQYKO-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1c(C)cccc1Cl ZINC001403635076 1364838748 /nfs/dbraw/zinc/83/87/48/1364838748.db2.gz URQWAWAWUXQYKO-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001403780474 1364931835 /nfs/dbraw/zinc/93/18/35/1364931835.db2.gz XOCWFESTOLRDMB-OLZOCXBDSA-N 1 3 336.307 2.616 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@H]1C ZINC001403780474 1364931839 /nfs/dbraw/zinc/93/18/39/1364931839.db2.gz XOCWFESTOLRDMB-OLZOCXBDSA-N 1 3 336.307 2.616 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)[C@H](C)c2ccccc2)C1 ZINC001437511022 1387712047 /nfs/dbraw/zinc/71/20/47/1387712047.db2.gz OYQRDUUQRCQTBK-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)[C@H](C)c2ccccc2)C1 ZINC001437511022 1387712050 /nfs/dbraw/zinc/71/20/50/1387712050.db2.gz OYQRDUUQRCQTBK-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(OC)cc1 ZINC001403854383 1364998255 /nfs/dbraw/zinc/99/82/55/1364998255.db2.gz UCCPDQSPFPFPAS-IBGZPJMESA-N 1 3 347.503 2.506 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(OC)cc1 ZINC001403854383 1364998257 /nfs/dbraw/zinc/99/82/57/1364998257.db2.gz UCCPDQSPFPFPAS-IBGZPJMESA-N 1 3 347.503 2.506 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1ccc(OC)cc1 ZINC001403854387 1364999275 /nfs/dbraw/zinc/99/92/75/1364999275.db2.gz UCCPDQSPFPFPAS-LJQANCHMSA-N 1 3 347.503 2.506 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1ccc(OC)cc1 ZINC001403854387 1364999280 /nfs/dbraw/zinc/99/92/80/1364999280.db2.gz UCCPDQSPFPFPAS-LJQANCHMSA-N 1 3 347.503 2.506 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1cc2ccccc2o1 ZINC001403892052 1365021093 /nfs/dbraw/zinc/02/10/93/1365021093.db2.gz SZXZJFLMROXTLF-UHFFFAOYSA-N 1 3 343.471 2.713 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CCc1ccccc1F ZINC001403950592 1365093545 /nfs/dbraw/zinc/09/35/45/1365093545.db2.gz PPAUGUMAMAJEMR-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CCc1ccccc1F ZINC001403950592 1365093548 /nfs/dbraw/zinc/09/35/48/1365093548.db2.gz PPAUGUMAMAJEMR-IBGZPJMESA-N 1 3 349.494 2.681 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001404024665 1365182349 /nfs/dbraw/zinc/18/23/49/1365182349.db2.gz WFTWFSWVYYTCSF-UHFFFAOYSA-N 1 3 335.467 2.637 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC001404024665 1365182350 /nfs/dbraw/zinc/18/23/50/1365182350.db2.gz WFTWFSWVYYTCSF-UHFFFAOYSA-N 1 3 335.467 2.637 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001404317462 1365446124 /nfs/dbraw/zinc/44/61/24/1365446124.db2.gz IAOMPPUPBNUGJO-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001404317462 1365446126 /nfs/dbraw/zinc/44/61/26/1365446126.db2.gz IAOMPPUPBNUGJO-QAPCUYQASA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001404317448 1365446433 /nfs/dbraw/zinc/44/64/33/1365446433.db2.gz IAOMPPUPBNUGJO-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)c1ccccc1F ZINC001404317448 1365446436 /nfs/dbraw/zinc/44/64/36/1365446436.db2.gz IAOMPPUPBNUGJO-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001404604068 1365704242 /nfs/dbraw/zinc/70/42/42/1365704242.db2.gz MKRPYAUGEBFBSZ-KRWDZBQOSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001404604068 1365704247 /nfs/dbraw/zinc/70/42/47/1365704247.db2.gz MKRPYAUGEBFBSZ-KRWDZBQOSA-N 1 3 349.494 2.756 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001437558196 1387764843 /nfs/dbraw/zinc/76/48/43/1387764843.db2.gz CSKAPSFDNKIXAD-INIZCTEOSA-N 1 3 349.478 2.756 20 0 EFADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1c2ccccc2-c2ccccc21 ZINC001437558196 1387764848 /nfs/dbraw/zinc/76/48/48/1387764848.db2.gz CSKAPSFDNKIXAD-INIZCTEOSA-N 1 3 349.478 2.756 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404657377 1365744959 /nfs/dbraw/zinc/74/49/59/1365744959.db2.gz ASIHSFOFBIOKRR-KSZLIROESA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404657377 1365744961 /nfs/dbraw/zinc/74/49/61/1365744961.db2.gz ASIHSFOFBIOKRR-KSZLIROESA-N 1 3 325.541 2.835 20 0 EFADHO CCc1cccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001404711887 1365786042 /nfs/dbraw/zinc/78/60/42/1365786042.db2.gz FRFBVGYNLPNPSM-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CN(CCNC(=O)CCC[NH+]1CCCC1)Cc1ccc2c(c1)CCC2 ZINC001437561886 1387769670 /nfs/dbraw/zinc/76/96/70/1387769670.db2.gz FMIIWRCQYWYGGZ-UHFFFAOYSA-N 1 3 343.515 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+]([C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001404922237 1365910247 /nfs/dbraw/zinc/91/02/47/1365910247.db2.gz RCBTYMGDMRRXRJ-UXHICEINSA-N 1 3 343.515 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001437569777 1387781631 /nfs/dbraw/zinc/78/16/31/1387781631.db2.gz KMSSBIYJDZECQH-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001437569777 1387781636 /nfs/dbraw/zinc/78/16/36/1387781636.db2.gz KMSSBIYJDZECQH-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001405141708 1366053268 /nfs/dbraw/zinc/05/32/68/1366053268.db2.gz GMFIVWGPQCOXMW-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO CC(C)[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001405475328 1366226893 /nfs/dbraw/zinc/22/68/93/1366226893.db2.gz DTBRSJUJJGWRMN-QGZVFWFLSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC001405509389 1366255498 /nfs/dbraw/zinc/25/54/98/1366255498.db2.gz AANPSFDLNWIOFB-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCC2CCN(CCF)CC2)CCCCC1 ZINC001405570826 1366302722 /nfs/dbraw/zinc/30/27/22/1366302722.db2.gz ZRUBOMOSIFUBJI-UHFFFAOYSA-N 1 3 341.515 2.686 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001405665147 1366327395 /nfs/dbraw/zinc/32/73/95/1366327395.db2.gz HKYNHZVHYYQTHI-IAGOWNOFSA-N 1 3 331.504 2.882 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCC1)N(C)C ZINC001405759818 1366392780 /nfs/dbraw/zinc/39/27/80/1366392780.db2.gz WHERKDYRLDCDHM-GOSISDBHSA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001405803141 1366426382 /nfs/dbraw/zinc/42/63/82/1366426382.db2.gz ZRIAQKKICDNKHG-YLJYHZDGSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001405838859 1366452944 /nfs/dbraw/zinc/45/29/44/1366452944.db2.gz VXUGSQGHMSSXKT-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)cs1 ZINC001405863323 1366473046 /nfs/dbraw/zinc/47/30/46/1366473046.db2.gz BCSMDLWXZZBFPE-OAHLLOKOSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001405878612 1366486759 /nfs/dbraw/zinc/48/67/59/1366486759.db2.gz SXBMDKVILFSDFM-QGZVFWFLSA-N 1 3 335.467 2.685 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001405880269 1366487975 /nfs/dbraw/zinc/48/79/75/1366487975.db2.gz BLMNKGABNYBGSH-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001405891686 1366497506 /nfs/dbraw/zinc/49/75/06/1366497506.db2.gz NOGZRRBNONWGNB-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CCN(C/C=C/c1ccccc1)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001437608985 1387821731 /nfs/dbraw/zinc/82/17/31/1387821731.db2.gz TVJRMQYWVIOINR-IZZDOVSWSA-N 1 3 341.499 2.766 20 0 EFADHO CCN(CCNC(=O)CCC[NH+](C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001437618589 1387837595 /nfs/dbraw/zinc/83/75/95/1387837595.db2.gz JNJYFFJMTIMSCY-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H](C)C1 ZINC001405976887 1367038856 /nfs/dbraw/zinc/03/88/56/1367038856.db2.gz RIEQYDSFNQGBFQ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001437625148 1387849746 /nfs/dbraw/zinc/84/97/46/1387849746.db2.gz DYKLLDFKCGWKKH-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001437625148 1387849751 /nfs/dbraw/zinc/84/97/51/1387849751.db2.gz DYKLLDFKCGWKKH-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CN(C/C=C\Cl)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001405993435 1367065394 /nfs/dbraw/zinc/06/53/94/1367065394.db2.gz OZUVPIJKIAGRQH-WMZJFQQLSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@H+](C)CCC3CC3)CC2)C1 ZINC001405999705 1367074383 /nfs/dbraw/zinc/07/43/83/1367074383.db2.gz ZROIJXFFFILCCR-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(CC[N@@H+](C)CCC3CC3)CC2)C1 ZINC001405999705 1367074392 /nfs/dbraw/zinc/07/43/92/1367074392.db2.gz ZROIJXFFFILCCR-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001437625952 1387851570 /nfs/dbraw/zinc/85/15/70/1387851570.db2.gz MPUIKDYEWLAJCL-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001437625952 1387851576 /nfs/dbraw/zinc/85/15/76/1387851576.db2.gz MPUIKDYEWLAJCL-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC001406065775 1367170468 /nfs/dbraw/zinc/17/04/68/1367170468.db2.gz MGESTGDDKDDLJV-LJQANCHMSA-N 1 3 342.487 2.808 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC001406065771 1367171151 /nfs/dbraw/zinc/17/11/51/1367171151.db2.gz MGESTGDDKDDLJV-IBGZPJMESA-N 1 3 342.487 2.808 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)CC[N@@H+]1C ZINC001406102460 1367228543 /nfs/dbraw/zinc/22/85/43/1367228543.db2.gz UCISVUVQJZHAMO-SPYBWZPUSA-N 1 3 347.478 2.543 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)CC[N@H+]1C ZINC001406102460 1367228547 /nfs/dbraw/zinc/22/85/47/1367228547.db2.gz UCISVUVQJZHAMO-SPYBWZPUSA-N 1 3 347.478 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001406109636 1367243132 /nfs/dbraw/zinc/24/31/32/1367243132.db2.gz UWRVARJTXNUUNQ-QZTJIDSGSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001406109636 1367243136 /nfs/dbraw/zinc/24/31/36/1367243136.db2.gz UWRVARJTXNUUNQ-QZTJIDSGSA-N 1 3 335.467 2.543 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001406126414 1367275913 /nfs/dbraw/zinc/27/59/13/1367275913.db2.gz QMTOZTAEIBFOCZ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001406126414 1367275917 /nfs/dbraw/zinc/27/59/17/1367275917.db2.gz QMTOZTAEIBFOCZ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001406310883 1367465983 /nfs/dbraw/zinc/46/59/83/1367465983.db2.gz PWRSRODDHLTHPG-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)CN(C)C1CCC1 ZINC001406325704 1367484758 /nfs/dbraw/zinc/48/47/58/1367484758.db2.gz LDAQSIXTVQRRMF-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@H]([NH2+]CCN(CC)C(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001406334564 1367497195 /nfs/dbraw/zinc/49/71/95/1367497195.db2.gz VLLNJMUTQRXHHF-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@@H]([NH2+]CCN(CC)C(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001406334547 1367497914 /nfs/dbraw/zinc/49/79/14/1367497914.db2.gz VLLNJMUTQRXHHF-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001406363306 1367524446 /nfs/dbraw/zinc/52/44/46/1367524446.db2.gz HRJFRBRDPIESHX-BEFAXECRSA-N 1 3 348.535 2.694 20 0 EFADHO Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001406364143 1367525344 /nfs/dbraw/zinc/52/53/44/1367525344.db2.gz FNAUJAPQWGVPRD-OAHLLOKOSA-N 1 3 346.519 2.592 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1Cl)NC(=O)CCC[NH+](C)C ZINC001406390039 1367542731 /nfs/dbraw/zinc/54/27/31/1367542731.db2.gz SCTSBTCZRRCIDB-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO COc1cc(CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)ccc1C ZINC001406614367 1367808061 /nfs/dbraw/zinc/80/80/61/1367808061.db2.gz YXVPGDXQALOYLN-APWZRJJASA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639156 1367845036 /nfs/dbraw/zinc/84/50/36/1367845036.db2.gz ROBBSKYBOLEEAH-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001406639156 1367845040 /nfs/dbraw/zinc/84/50/40/1367845040.db2.gz ROBBSKYBOLEEAH-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001406652459 1367869577 /nfs/dbraw/zinc/86/95/77/1367869577.db2.gz INIWXUVLMJUEIS-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001406652453 1367869731 /nfs/dbraw/zinc/86/97/31/1367869731.db2.gz INIWXUVLMJUEIS-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001406774630 1368032496 /nfs/dbraw/zinc/03/24/96/1368032496.db2.gz KHHHJJAFBCWWLI-LJQANCHMSA-N 1 3 343.515 2.718 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](NC(=O)Cc1nc[nH]c1C)C1CC1)c1ccccc1 ZINC001406784514 1368046941 /nfs/dbraw/zinc/04/69/41/1368046941.db2.gz JMDPMBMXWHRRDO-PKOBYXMFSA-N 1 3 340.471 2.896 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C)cc2)CC1 ZINC001406928069 1368222554 /nfs/dbraw/zinc/22/25/54/1368222554.db2.gz WPIGHTKXWRBECR-SFHVURJKSA-N 1 3 329.488 2.608 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC001407030026 1368352101 /nfs/dbraw/zinc/35/21/01/1368352101.db2.gz PKSLZPFSMXRCCJ-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2cccs2)C[C@@H]1C ZINC001407078170 1368399563 /nfs/dbraw/zinc/39/95/63/1368399563.db2.gz AWCSQAMTCAEEHW-HOTGVXAUSA-N 1 3 337.533 2.602 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2CNC/C(Cl)=C/Cl)CC1 ZINC001496903852 1401090704 /nfs/dbraw/zinc/09/07/04/1401090704.db2.gz JPXPSJUATLVTRL-LRZCHELBSA-N 1 3 348.318 2.522 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1)N(C)C ZINC001407539771 1368959513 /nfs/dbraw/zinc/95/95/13/1368959513.db2.gz PCAOHQHFYFRZDU-ZGIBQFFXSA-N 1 3 349.563 2.978 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1)N(C)C ZINC001407539771 1368959516 /nfs/dbraw/zinc/95/95/16/1368959516.db2.gz PCAOHQHFYFRZDU-ZGIBQFFXSA-N 1 3 349.563 2.978 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001407587362 1369014336 /nfs/dbraw/zinc/01/43/36/1369014336.db2.gz AFVZTKQVHWLBKF-NXHRZFHOSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001407587362 1369014341 /nfs/dbraw/zinc/01/43/41/1369014341.db2.gz AFVZTKQVHWLBKF-NXHRZFHOSA-N 1 3 347.478 2.619 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001408055761 1369568319 /nfs/dbraw/zinc/56/83/19/1369568319.db2.gz KEAPWKFYLJDHDX-INIZCTEOSA-N 1 3 329.488 2.616 20 0 EFADHO CC(C)C[N@H+]1Cc2ccc(CNC(=O)CN3CC[C@H](C)C3)cc2C1 ZINC001408055761 1369568324 /nfs/dbraw/zinc/56/83/24/1369568324.db2.gz KEAPWKFYLJDHDX-INIZCTEOSA-N 1 3 329.488 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCc1cc2ccccc2o1 ZINC001408099575 1369606315 /nfs/dbraw/zinc/60/63/15/1369606315.db2.gz SJPZBPQPMWOEHE-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001408163333 1369665210 /nfs/dbraw/zinc/66/52/10/1369665210.db2.gz AHNNUBHMOHBPJN-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001408163333 1369665213 /nfs/dbraw/zinc/66/52/13/1369665213.db2.gz AHNNUBHMOHBPJN-QFBILLFUSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001408167916 1369670738 /nfs/dbraw/zinc/67/07/38/1369670738.db2.gz FRJGSWBMJUKPEJ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)[C@H](C)C1 ZINC001408167916 1369670746 /nfs/dbraw/zinc/67/07/46/1369670746.db2.gz FRJGSWBMJUKPEJ-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(F)c1 ZINC001408170441 1369673663 /nfs/dbraw/zinc/67/36/63/1369673663.db2.gz DMWIDAKROTYQKN-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001408173320 1369676906 /nfs/dbraw/zinc/67/69/06/1369676906.db2.gz RWSXPNKFDGXUFI-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@H]2C)cc1 ZINC001408173320 1369676914 /nfs/dbraw/zinc/67/69/14/1369676914.db2.gz RWSXPNKFDGXUFI-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001408198791 1369705945 /nfs/dbraw/zinc/70/59/45/1369705945.db2.gz MBBNOVYXZBJGPE-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC001408248781 1369749996 /nfs/dbraw/zinc/74/99/96/1369749996.db2.gz GZNWOBRCQWBSJG-GJZGRUSLSA-N 1 3 328.460 2.815 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001408248278 1369750120 /nfs/dbraw/zinc/75/01/20/1369750120.db2.gz AVGGFUALWNZHMF-PKOBYXMFSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1)N(C)C ZINC001408304771 1369799951 /nfs/dbraw/zinc/79/99/51/1369799951.db2.gz IETZTWBUXUIDKD-AQNXPRMDSA-N 1 3 343.515 2.745 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001414531934 1370405428 /nfs/dbraw/zinc/40/54/28/1370405428.db2.gz OLTMGYPXMHWINE-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1C)[N@H+](C)Cc1ccccc1 ZINC001414567573 1370452928 /nfs/dbraw/zinc/45/29/28/1370452928.db2.gz AODKLTOHUWOQET-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1C)[N@@H+](C)Cc1ccccc1 ZINC001414567573 1370452934 /nfs/dbraw/zinc/45/29/34/1370452934.db2.gz AODKLTOHUWOQET-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690799 1370591975 /nfs/dbraw/zinc/59/19/75/1370591975.db2.gz YPFGAGQGSZOKTO-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690799 1370591981 /nfs/dbraw/zinc/59/19/81/1370591981.db2.gz YPFGAGQGSZOKTO-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)NCCN(Cc2cccc(Cl)c2)C2CC2)C1 ZINC001437808227 1388097303 /nfs/dbraw/zinc/09/73/03/1388097303.db2.gz QVZYBLBPYJCLLS-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(Cc2cccc(Cl)c2)C2CC2)C1 ZINC001437808227 1388097312 /nfs/dbraw/zinc/09/73/12/1388097312.db2.gz QVZYBLBPYJCLLS-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC001437826570 1388119414 /nfs/dbraw/zinc/11/94/14/1388119414.db2.gz CLVMVYQSHVTUFS-DLBZAZTESA-N 1 3 337.895 2.933 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)c(F)c1 ZINC001437839225 1388131290 /nfs/dbraw/zinc/13/12/90/1388131290.db2.gz RSKBXZCJYOKKIC-ZDUSSCGKSA-N 1 3 339.430 2.558 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001437844909 1388137392 /nfs/dbraw/zinc/13/73/92/1388137392.db2.gz LIKPNCKCAOUDPW-JXFKEZNVSA-N 1 3 345.531 2.871 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1 ZINC001437883190 1388168804 /nfs/dbraw/zinc/16/88/04/1388168804.db2.gz ZIUONORVJAICLV-KDURUIRLSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609361 1373088591 /nfs/dbraw/zinc/08/85/91/1373088591.db2.gz XJCYVWGUGLDWSA-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001417609361 1373088594 /nfs/dbraw/zinc/08/85/94/1373088594.db2.gz XJCYVWGUGLDWSA-VQTJNVASSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671452 1373142603 /nfs/dbraw/zinc/14/26/03/1373142603.db2.gz SZWJBQVXRZMYCT-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC001417671452 1373142608 /nfs/dbraw/zinc/14/26/08/1373142608.db2.gz SZWJBQVXRZMYCT-YSIASYRMSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001417744284 1373200802 /nfs/dbraw/zinc/20/08/02/1373200802.db2.gz NHPUHBQHGONSQF-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1c(C)cc(C)cc1C ZINC001417744284 1373200810 /nfs/dbraw/zinc/20/08/10/1373200810.db2.gz NHPUHBQHGONSQF-LJQANCHMSA-N 1 3 345.531 2.986 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001417767246 1373231068 /nfs/dbraw/zinc/23/10/68/1373231068.db2.gz BXLQNFSDZHTEPG-HSALFYBXSA-N 1 3 345.531 2.874 20 0 EFADHO CN1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC12CCCCC2 ZINC001417872298 1373364841 /nfs/dbraw/zinc/36/48/41/1373364841.db2.gz HRBNYNBAEROQMH-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001417890809 1373378310 /nfs/dbraw/zinc/37/83/10/1373378310.db2.gz ICGRTHZKUOTJDJ-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccc(CF)cc2)CC1)N(C)C ZINC001417896925 1373385240 /nfs/dbraw/zinc/38/52/40/1373385240.db2.gz HIDSJTHGKGZZJO-LJQANCHMSA-N 1 3 349.494 2.919 20 0 EFADHO CCc1ccccc1CCN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001417913455 1373409955 /nfs/dbraw/zinc/40/99/55/1373409955.db2.gz MIWLCPLCQOJWBP-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001417914309 1373411540 /nfs/dbraw/zinc/41/15/40/1373411540.db2.gz PEBPFEDYZRRRGC-QGZVFWFLSA-N 1 3 349.544 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001417943773 1373433107 /nfs/dbraw/zinc/43/31/07/1373433107.db2.gz KYQDBJQIMBBQFH-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001417945160 1373434587 /nfs/dbraw/zinc/43/45/87/1373434587.db2.gz VGRRNYNJZRTIAM-UZLBHIALSA-N 1 3 343.515 2.769 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001417945160 1373434591 /nfs/dbraw/zinc/43/45/91/1373434591.db2.gz VGRRNYNJZRTIAM-UZLBHIALSA-N 1 3 343.515 2.769 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001417948071 1373439289 /nfs/dbraw/zinc/43/92/89/1373439289.db2.gz QHRUOLRABRMQCH-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccccc2CC)C1 ZINC001417948071 1373439294 /nfs/dbraw/zinc/43/92/94/1373439294.db2.gz QHRUOLRABRMQCH-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](Cc1cccc(C)c1)CC2)N(C)C ZINC001417954629 1373446334 /nfs/dbraw/zinc/44/63/34/1373446334.db2.gz LVFOGBWMWHMTPT-OALUTQOASA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCC1CCC1)CC2)N(C)C ZINC001417959821 1373456162 /nfs/dbraw/zinc/45/61/62/1373456162.db2.gz XMWJHPFNDROWGF-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC(C[NH2+][C@@H](CNC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001418010861 1373518842 /nfs/dbraw/zinc/51/88/42/1373518842.db2.gz KMAGZPODIFVBKT-LAGYLCCXSA-N 1 3 343.515 2.892 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001418062555 1373569046 /nfs/dbraw/zinc/56/90/46/1373569046.db2.gz LVHHUGSZHADAPW-HNBVOPMISA-N 1 3 343.515 2.887 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001418076792 1373581032 /nfs/dbraw/zinc/58/10/32/1373581032.db2.gz XEYQRMVMPHQUPA-HDJSIYSDSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1)[NH+](C)C ZINC001418127782 1373647377 /nfs/dbraw/zinc/64/73/77/1373647377.db2.gz RTHKKUIOUYDCHN-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001418128994 1373647934 /nfs/dbraw/zinc/64/79/34/1373647934.db2.gz VZFBWFJDVMPOLZ-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001418145963 1373672501 /nfs/dbraw/zinc/67/25/01/1373672501.db2.gz JERMUWPBYWYGAO-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001418161007 1373707992 /nfs/dbraw/zinc/70/79/92/1373707992.db2.gz JPCFHZMFSNACIG-QUCCMNQESA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N(C(=O)CN1CC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001418161007 1373707995 /nfs/dbraw/zinc/70/79/95/1373707995.db2.gz JPCFHZMFSNACIG-QUCCMNQESA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001418172331 1373725484 /nfs/dbraw/zinc/72/54/84/1373725484.db2.gz GONXPYXZTANDSS-IRXDYDNUSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001418232281 1373788134 /nfs/dbraw/zinc/78/81/34/1373788134.db2.gz CICUROGYGCGFOX-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001418236017 1373791540 /nfs/dbraw/zinc/79/15/40/1373791540.db2.gz PAQRUEKHFHXANJ-FUHWJXTLSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001418350774 1373923693 /nfs/dbraw/zinc/92/36/93/1373923693.db2.gz SOAVJVCNKKWRTA-MSOLQXFVSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001418360644 1373934127 /nfs/dbraw/zinc/93/41/27/1373934127.db2.gz OTAPAKCVKMOBNL-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001418369060 1373943360 /nfs/dbraw/zinc/94/33/60/1373943360.db2.gz RLTDKWLARKBWSY-SJORKVTESA-N 1 3 347.478 2.827 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001418377288 1373955273 /nfs/dbraw/zinc/95/52/73/1373955273.db2.gz ROOAMWIFWFUHIM-HVDISPMTSA-N 1 3 336.307 2.664 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001418459796 1374048555 /nfs/dbraw/zinc/04/85/55/1374048555.db2.gz AUOCWKPKTVMHBN-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc2c(c1)CCC2 ZINC001418459796 1374048559 /nfs/dbraw/zinc/04/85/59/1374048559.db2.gz AUOCWKPKTVMHBN-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001418461617 1374052071 /nfs/dbraw/zinc/05/20/71/1374052071.db2.gz ANLFITXTEYRWOT-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cc(C)cc(C)c1 ZINC001418461617 1374052077 /nfs/dbraw/zinc/05/20/77/1374052077.db2.gz ANLFITXTEYRWOT-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001418465395 1374056573 /nfs/dbraw/zinc/05/65/73/1374056573.db2.gz ORHRFJGGLABTPL-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001418465395 1374056579 /nfs/dbraw/zinc/05/65/79/1374056579.db2.gz ORHRFJGGLABTPL-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001418475763 1374068561 /nfs/dbraw/zinc/06/85/61/1374068561.db2.gz AFKDMGAJRAROKX-IBGZPJMESA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CF)cc1 ZINC001418475763 1374068563 /nfs/dbraw/zinc/06/85/63/1374068563.db2.gz AFKDMGAJRAROKX-IBGZPJMESA-N 1 3 349.494 2.825 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2CC)C1 ZINC001418489853 1374085438 /nfs/dbraw/zinc/08/54/38/1374085438.db2.gz YSWXHFBIFXKBEW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN(C)Cc2ccccc2CC)C1 ZINC001418489853 1374085444 /nfs/dbraw/zinc/08/54/44/1374085444.db2.gz YSWXHFBIFXKBEW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc2ccccc2c1 ZINC001418510811 1374114059 /nfs/dbraw/zinc/11/40/59/1374114059.db2.gz UEOVVYHCGYPDPG-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc2ccccc2c1 ZINC001418510811 1374114065 /nfs/dbraw/zinc/11/40/65/1374114065.db2.gz UEOVVYHCGYPDPG-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001418512279 1374115529 /nfs/dbraw/zinc/11/55/29/1374115529.db2.gz LVCBLKIRERFNJU-HNAYVOBHSA-N 1 3 331.504 2.625 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001418512279 1374115535 /nfs/dbraw/zinc/11/55/35/1374115535.db2.gz LVCBLKIRERFNJU-HNAYVOBHSA-N 1 3 331.504 2.625 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1ccc(F)cc1 ZINC001418558152 1374177516 /nfs/dbraw/zinc/17/75/16/1374177516.db2.gz SVWBEMWKXJISET-INIZCTEOSA-N 1 3 347.478 2.953 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCCc2ccccc21 ZINC001418562506 1374185120 /nfs/dbraw/zinc/18/51/20/1374185120.db2.gz QAGWXJQSVHODNZ-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@@H]1CCCc2ccccc21 ZINC001418562506 1374185124 /nfs/dbraw/zinc/18/51/24/1374185124.db2.gz QAGWXJQSVHODNZ-YLJYHZDGSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc(Cl)cc1C)N(C)C ZINC001418563622 1374187192 /nfs/dbraw/zinc/18/71/92/1374187192.db2.gz JMOHBGPYTYPZST-KRWDZBQOSA-N 1 3 339.911 2.927 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(Cl)cc1C)N(C)C ZINC001418563622 1374187194 /nfs/dbraw/zinc/18/71/94/1374187194.db2.gz JMOHBGPYTYPZST-KRWDZBQOSA-N 1 3 339.911 2.927 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)CCC[NH+](C)C)C1 ZINC001437990409 1388302534 /nfs/dbraw/zinc/30/25/34/1388302534.db2.gz MZWYBIFTYGRYNM-IBGZPJMESA-N 1 3 331.504 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(F)cc1C ZINC001418587973 1374229704 /nfs/dbraw/zinc/22/97/04/1374229704.db2.gz NNFFCWSXEYZVJY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(F)cc1C ZINC001418587973 1374229707 /nfs/dbraw/zinc/22/97/07/1374229707.db2.gz NNFFCWSXEYZVJY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001418645710 1374316207 /nfs/dbraw/zinc/31/62/07/1374316207.db2.gz HTDLZPWVWUGEOM-WOVMCDHWSA-N 1 3 337.895 2.666 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001418649585 1374320532 /nfs/dbraw/zinc/32/05/32/1374320532.db2.gz JOKYMAXACUDOSN-UAGQMJEPSA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC1CC1)CC2 ZINC001418746879 1374451210 /nfs/dbraw/zinc/45/12/10/1374451210.db2.gz PARPJLKHIAREKN-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001418752972 1374460331 /nfs/dbraw/zinc/46/03/31/1374460331.db2.gz VOFOQTXLTONIKP-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001418752980 1374460473 /nfs/dbraw/zinc/46/04/73/1374460473.db2.gz VOFOQTXLTONIKP-SJORKVTESA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCCc2ccccc21)N(C)C ZINC001418797583 1374515517 /nfs/dbraw/zinc/51/55/17/1374515517.db2.gz CXEHBJVNDWQVKX-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)N(C)C ZINC001418797583 1374515522 /nfs/dbraw/zinc/51/55/22/1374515522.db2.gz CXEHBJVNDWQVKX-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCc3cccs3)C2)CCC1 ZINC001418892575 1374643125 /nfs/dbraw/zinc/64/31/25/1374643125.db2.gz RBBGVOZFWKBLEM-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCc3cccs3)C2)CCC1 ZINC001418892575 1374643127 /nfs/dbraw/zinc/64/31/27/1374643127.db2.gz RBBGVOZFWKBLEM-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941536 1374711795 /nfs/dbraw/zinc/71/17/95/1374711795.db2.gz RSOXNRSVHJCOCT-DLBZAZTESA-N 1 3 325.541 2.791 20 0 EFADHO CC[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941536 1374711800 /nfs/dbraw/zinc/71/18/00/1374711800.db2.gz RSOXNRSVHJCOCT-DLBZAZTESA-N 1 3 325.541 2.791 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001419019908 1374768449 /nfs/dbraw/zinc/76/84/49/1374768449.db2.gz ALYDXYFHGWGIPO-MRXNPFEDSA-N 1 3 329.488 2.588 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ncccc1C ZINC001419077918 1374817415 /nfs/dbraw/zinc/81/74/15/1374817415.db2.gz KVGVHAPEATYVNV-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ncccc1C ZINC001419077918 1374817423 /nfs/dbraw/zinc/81/74/23/1374817423.db2.gz KVGVHAPEATYVNV-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001419190959 1374937131 /nfs/dbraw/zinc/93/71/31/1374937131.db2.gz GZKDRYYTNNHYEI-FUHWJXTLSA-N 1 3 347.478 2.782 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001419233153 1374979962 /nfs/dbraw/zinc/97/99/62/1374979962.db2.gz XGODRGLNILOAMP-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001419235424 1374982278 /nfs/dbraw/zinc/98/22/78/1374982278.db2.gz AZSWICLOCDRYSM-DLBZAZTESA-N 1 3 339.911 2.911 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001419272691 1375018664 /nfs/dbraw/zinc/01/86/64/1375018664.db2.gz WMDNOBPMRWCVLG-KUHUBIRLSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCc2c1cccc2F)C1CC1 ZINC001419301479 1375061643 /nfs/dbraw/zinc/06/16/43/1375061643.db2.gz DYABDKMUBIMDIJ-OALUTQOASA-N 1 3 347.478 2.639 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)CC1 ZINC001419378195 1375192796 /nfs/dbraw/zinc/19/27/96/1375192796.db2.gz RFTQQPHNIKPBRR-IYARVYRRSA-N 1 3 349.494 2.727 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001419385874 1375205162 /nfs/dbraw/zinc/20/51/62/1375205162.db2.gz FOEUPCRKPVZLCO-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CC(C)C2)cc1)N(C)C ZINC001419388216 1375206933 /nfs/dbraw/zinc/20/69/33/1375206933.db2.gz BZJIWYLVLHRVGT-PPSBMQLTSA-N 1 3 331.504 2.779 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1)N(C)C ZINC001419408590 1375234365 /nfs/dbraw/zinc/23/43/65/1375234365.db2.gz WHIGWBCDSXVMBT-IIAWOOMASA-N 1 3 341.858 2.556 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001419409676 1375235607 /nfs/dbraw/zinc/23/56/07/1375235607.db2.gz BZSRHYCMXPSAHT-QAQDUYKDSA-N 1 3 329.488 2.525 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CC)cc1 ZINC001419426857 1375258398 /nfs/dbraw/zinc/25/83/98/1375258398.db2.gz UMWFDVPMDPKPOD-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001419437180 1375271401 /nfs/dbraw/zinc/27/14/01/1375271401.db2.gz JTYGPUIQXPKOBN-WGSAOQKQSA-N 1 3 339.483 2.918 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001419437204 1375272119 /nfs/dbraw/zinc/27/21/19/1375272119.db2.gz KMWHLIRBMVNKOS-HDJSIYSDSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001419471001 1375315207 /nfs/dbraw/zinc/31/52/07/1375315207.db2.gz PAQKPEBHWQHBGP-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[NH2+]Cc1cccc(F)c1 ZINC001419506331 1375356724 /nfs/dbraw/zinc/35/67/24/1375356724.db2.gz CDXSYPPAJBJIHL-DLBZAZTESA-N 1 3 349.494 2.932 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001419523798 1375384083 /nfs/dbraw/zinc/38/40/83/1375384083.db2.gz AHPKBUOHMYAQTL-GUYCJALGSA-N 1 3 339.911 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001419556577 1375446372 /nfs/dbraw/zinc/44/63/72/1375446372.db2.gz BMKVZJCVMHXDQJ-LJQANCHMSA-N 1 3 349.494 2.826 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)CC3CC[NH+](C)CC3)C2)cc1C ZINC001438140683 1388378356 /nfs/dbraw/zinc/37/83/56/1388378356.db2.gz IMXHCWNQURCTFA-UHFFFAOYSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001419633911 1375598026 /nfs/dbraw/zinc/59/80/26/1375598026.db2.gz RGZFESADJQRWAL-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001419633911 1375598034 /nfs/dbraw/zinc/59/80/34/1375598034.db2.gz RGZFESADJQRWAL-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21)[NH+](C)C ZINC001419642071 1375622318 /nfs/dbraw/zinc/62/23/18/1375622318.db2.gz VIBCXCIIBIFFJA-QZCFVMSDSA-N 1 3 347.478 2.519 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001419662808 1375659654 /nfs/dbraw/zinc/65/96/54/1375659654.db2.gz BKQMVXJXJHHDNO-FLNBYBTLSA-N 1 3 343.515 2.689 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001419662808 1375659659 /nfs/dbraw/zinc/65/96/59/1375659659.db2.gz BKQMVXJXJHHDNO-FLNBYBTLSA-N 1 3 343.515 2.689 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C(=O)[C@H]1CCCN1C ZINC001419694403 1375727985 /nfs/dbraw/zinc/72/79/85/1375727985.db2.gz GVWGRDRICUDWDH-MLGOLLRUSA-N 1 3 341.858 2.510 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001419775928 1375857635 /nfs/dbraw/zinc/85/76/35/1375857635.db2.gz MEUZATDVAYNKBQ-WMZOPIPTSA-N 1 3 343.515 2.685 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NCc1ccc(Cl)s1 ZINC001419797987 1375897243 /nfs/dbraw/zinc/89/72/43/1375897243.db2.gz VFZCLRMKLOISEX-LBPRGKRZSA-N 1 3 341.908 2.624 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001419812965 1375924678 /nfs/dbraw/zinc/92/46/78/1375924678.db2.gz BPNLRKQKLLRRSP-JDFMTEHDSA-N 1 3 341.927 2.830 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001419824739 1375943585 /nfs/dbraw/zinc/94/35/85/1375943585.db2.gz QSRCAFRSJBQQCF-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001419844514 1375981348 /nfs/dbraw/zinc/98/13/48/1375981348.db2.gz DCZHMIKIUGWZBL-SFHVURJKSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001419844514 1375981353 /nfs/dbraw/zinc/98/13/53/1375981353.db2.gz DCZHMIKIUGWZBL-SFHVURJKSA-N 1 3 325.541 2.789 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC001419965590 1376201158 /nfs/dbraw/zinc/20/11/58/1376201158.db2.gz IQXGUEIAQDJUJQ-ZFWWWQNUSA-N 1 3 339.430 2.558 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001420002923 1376264901 /nfs/dbraw/zinc/26/49/01/1376264901.db2.gz ITOGQPFMGUSNPS-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CCC[N@H+](C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 ZINC001420002923 1376264905 /nfs/dbraw/zinc/26/49/05/1376264905.db2.gz ITOGQPFMGUSNPS-IBGZPJMESA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001420002928 1376264950 /nfs/dbraw/zinc/26/49/50/1376264950.db2.gz ITOGQPFMGUSNPS-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccc(CCC[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001420002928 1376264959 /nfs/dbraw/zinc/26/49/59/1376264959.db2.gz ITOGQPFMGUSNPS-LJQANCHMSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420028639 1376317150 /nfs/dbraw/zinc/31/71/50/1376317150.db2.gz LUCZTWHBUIJJMX-MOPGFXCFSA-N 1 3 343.515 2.996 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001420064895 1376408360 /nfs/dbraw/zinc/40/83/60/1376408360.db2.gz YKWAJUFEMGSOFK-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001420064895 1376408366 /nfs/dbraw/zinc/40/83/66/1376408366.db2.gz YKWAJUFEMGSOFK-LJQANCHMSA-N 1 3 349.494 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001420073186 1376420111 /nfs/dbraw/zinc/42/01/11/1376420111.db2.gz HRGZKRUQAYMSRC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CCCC2)C1 ZINC001420073186 1376420116 /nfs/dbraw/zinc/42/01/16/1376420116.db2.gz HRGZKRUQAYMSRC-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C\Cl)C1CCC1 ZINC001420085440 1376438967 /nfs/dbraw/zinc/43/89/67/1376438967.db2.gz JLOOKLWYYPLIKO-SFPHSEHVSA-N 1 3 348.318 2.664 20 0 EFADHO CCN(CC[NH2+][C@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001420233653 1376590507 /nfs/dbraw/zinc/59/05/07/1376590507.db2.gz GFBXWVALLLWXSY-ROUUACIJSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)N1CCCCC1 ZINC001420293757 1376678173 /nfs/dbraw/zinc/67/81/73/1376678173.db2.gz DLCJHEAVIKRROS-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO CC1CCN(CC(=O)NCC[N@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001420318033 1376725665 /nfs/dbraw/zinc/72/56/65/1376725665.db2.gz JDEBEHGOIBOVOA-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CC1CCN(CC(=O)NCC[N@@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC001420318033 1376725667 /nfs/dbraw/zinc/72/56/67/1376725667.db2.gz JDEBEHGOIBOVOA-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2csc(C)c2)C1 ZINC001438266428 1388465851 /nfs/dbraw/zinc/46/58/51/1388465851.db2.gz MSQZOJFFKNWHDY-KRWDZBQOSA-N 1 3 337.533 2.821 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1cc2ccccc2o1 ZINC001420387031 1376859960 /nfs/dbraw/zinc/85/99/60/1376859960.db2.gz JZFDHLIARGPWKL-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1cc2ccccc2o1 ZINC001420387031 1376859965 /nfs/dbraw/zinc/85/99/65/1376859965.db2.gz JZFDHLIARGPWKL-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001420421645 1376928702 /nfs/dbraw/zinc/92/87/02/1376928702.db2.gz KGVWWTORIGBXFH-FUHWJXTLSA-N 1 3 331.504 2.836 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1ccccc1C ZINC001420421645 1376928709 /nfs/dbraw/zinc/92/87/09/1376928709.db2.gz KGVWWTORIGBXFH-FUHWJXTLSA-N 1 3 331.504 2.836 20 0 EFADHO CCc1ccc(C[N@H+](CC)CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001420424554 1376936733 /nfs/dbraw/zinc/93/67/33/1376936733.db2.gz VNUMDNJJKWZCDO-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCc1ccc(C[N@@H+](CC)CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001420424554 1376936745 /nfs/dbraw/zinc/93/67/45/1376936745.db2.gz VNUMDNJJKWZCDO-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001420533408 1377145261 /nfs/dbraw/zinc/14/52/61/1377145261.db2.gz CHUKKNCAVVOMAR-XLIONFOSSA-N 1 3 345.531 2.570 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001420533408 1377145262 /nfs/dbraw/zinc/14/52/62/1377145262.db2.gz CHUKKNCAVVOMAR-XLIONFOSSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001420548137 1377171234 /nfs/dbraw/zinc/17/12/34/1377171234.db2.gz ABSNTJPUZLOZDP-KRWDZBQOSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC001420548137 1377171236 /nfs/dbraw/zinc/17/12/36/1377171236.db2.gz ABSNTJPUZLOZDP-KRWDZBQOSA-N 1 3 340.471 2.516 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCN(Cc2ccccc2F)C1 ZINC001420550815 1377176908 /nfs/dbraw/zinc/17/69/08/1377176908.db2.gz CCYZQBNSQJXICK-KRWDZBQOSA-N 1 3 347.478 2.640 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001420556761 1377190470 /nfs/dbraw/zinc/19/04/70/1377190470.db2.gz XUUCYVXWYQVEDV-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001420556761 1377190473 /nfs/dbraw/zinc/19/04/73/1377190473.db2.gz XUUCYVXWYQVEDV-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO C[C@H](C[N@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586428 1377256796 /nfs/dbraw/zinc/25/67/96/1377256796.db2.gz RIRUDCBMNVDSJO-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586428 1377256797 /nfs/dbraw/zinc/25/67/97/1377256797.db2.gz RIRUDCBMNVDSJO-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[N@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586426 1377257006 /nfs/dbraw/zinc/25/70/06/1377257006.db2.gz RIRUDCBMNVDSJO-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420586426 1377257007 /nfs/dbraw/zinc/25/70/07/1377257007.db2.gz RIRUDCBMNVDSJO-GJZGRUSLSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)Cc1ccc(Cl)cc1)[NH+](C)C ZINC001420600757 1377293325 /nfs/dbraw/zinc/29/33/25/1377293325.db2.gz RPGVQZGSJZHIED-PBHICJAKSA-N 1 3 339.911 2.863 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001420631995 1377375145 /nfs/dbraw/zinc/37/51/45/1377375145.db2.gz JIXUVWLCFFFMSW-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001420631995 1377375150 /nfs/dbraw/zinc/37/51/50/1377375150.db2.gz JIXUVWLCFFFMSW-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420661225 1377443701 /nfs/dbraw/zinc/44/37/01/1377443701.db2.gz GYOLWUXKJWFZFO-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420661225 1377443702 /nfs/dbraw/zinc/44/37/02/1377443702.db2.gz GYOLWUXKJWFZFO-MRXNPFEDSA-N 1 3 329.488 2.813 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001420668515 1377466777 /nfs/dbraw/zinc/46/67/77/1377466777.db2.gz ZTNZOOMMSSCLCF-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)[C@H]1CCc2ccc(F)cc21 ZINC001420668515 1377466778 /nfs/dbraw/zinc/46/67/78/1377466778.db2.gz ZTNZOOMMSSCLCF-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CN(CC(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F)CC(C)(C)C ZINC001420723445 1377568232 /nfs/dbraw/zinc/56/82/32/1377568232.db2.gz HXYODZDTCJWZHY-SFHVURJKSA-N 1 3 349.494 2.839 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1c(C)cc(C)cc1C)C1CC1)N(C)C ZINC001420761434 1377614298 /nfs/dbraw/zinc/61/42/98/1377614298.db2.gz LWFBGSJPTDMUST-PMACEKPBSA-N 1 3 345.531 2.936 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@H+](CC3CCCCC3)C2)CCC1 ZINC001420868730 1377805603 /nfs/dbraw/zinc/80/56/03/1377805603.db2.gz ZPYBCCNOFBVFGH-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NCC[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCC1 ZINC001420868730 1377805605 /nfs/dbraw/zinc/80/56/05/1377805605.db2.gz ZPYBCCNOFBVFGH-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001420871774 1377811713 /nfs/dbraw/zinc/81/17/13/1377811713.db2.gz QKXKEIATTBKNEH-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001420876344 1377819817 /nfs/dbraw/zinc/81/98/17/1377819817.db2.gz RBVDWJXGBLQQPS-MJGOQNOKSA-N 1 3 329.488 2.596 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@H]1CCCc2ccccc21 ZINC001420876344 1377819818 /nfs/dbraw/zinc/81/98/18/1377819818.db2.gz RBVDWJXGBLQQPS-MJGOQNOKSA-N 1 3 329.488 2.596 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](CCC3CC3)C2)c1 ZINC001420882854 1377831084 /nfs/dbraw/zinc/83/10/84/1377831084.db2.gz HZEAENJWWVLXIR-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](CCC3CC3)C2)c1 ZINC001420882854 1377831085 /nfs/dbraw/zinc/83/10/85/1377831085.db2.gz HZEAENJWWVLXIR-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC[C@H]1CCN(C/C=C/Cl)C1 ZINC001420889234 1377840444 /nfs/dbraw/zinc/84/04/44/1377840444.db2.gz WJPZXAKIPARVNY-MPNRVQBSSA-N 1 3 341.927 2.833 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001420926344 1377889664 /nfs/dbraw/zinc/88/96/64/1377889664.db2.gz PANATILYAZVPTR-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001420926344 1377889670 /nfs/dbraw/zinc/88/96/70/1377889670.db2.gz PANATILYAZVPTR-MRXNPFEDSA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(CC)c2)C1 ZINC001420933504 1377902509 /nfs/dbraw/zinc/90/25/09/1377902509.db2.gz UGXVPDNZAMJEOY-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(CC)c2)C1 ZINC001420933504 1377902510 /nfs/dbraw/zinc/90/25/10/1377902510.db2.gz UGXVPDNZAMJEOY-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001420946932 1377923311 /nfs/dbraw/zinc/92/33/11/1377923311.db2.gz UGRPTSHNCQGAGZ-IBGZPJMESA-N 1 3 337.552 2.935 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001420946932 1377923314 /nfs/dbraw/zinc/92/33/14/1377923314.db2.gz UGRPTSHNCQGAGZ-IBGZPJMESA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccc(CC[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)cc1 ZINC001420976130 1377964167 /nfs/dbraw/zinc/96/41/67/1377964167.db2.gz KGWMJWOJVPHGRC-UHFFFAOYSA-N 1 3 345.531 2.754 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(F)c(Cl)c2)CC1 ZINC001420976600 1377965303 /nfs/dbraw/zinc/96/53/03/1377965303.db2.gz VBCRRCDHABVYQD-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CC1)N(C)C ZINC001420993913 1377992077 /nfs/dbraw/zinc/99/20/77/1377992077.db2.gz IUNALKOJTSXRHE-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001421007811 1378012670 /nfs/dbraw/zinc/01/26/70/1378012670.db2.gz OUJOLIMJVMSHSA-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001421007811 1378012673 /nfs/dbraw/zinc/01/26/73/1378012673.db2.gz OUJOLIMJVMSHSA-GOSISDBHSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@@H]1C ZINC001421099968 1378125040 /nfs/dbraw/zinc/12/50/40/1378125040.db2.gz GWHXTQDJBZXWOA-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001421250376 1378347765 /nfs/dbraw/zinc/34/77/65/1378347765.db2.gz DQNRWEVSHMYLKO-AZUAARDMSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421270036 1378385157 /nfs/dbraw/zinc/38/51/57/1378385157.db2.gz BJTWBDCUJUJXEJ-QRVBRYPASA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421270036 1378385160 /nfs/dbraw/zinc/38/51/60/1378385160.db2.gz BJTWBDCUJUJXEJ-QRVBRYPASA-N 1 3 331.504 2.914 20 0 EFADHO CCc1cccc(CN2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001421304282 1378468645 /nfs/dbraw/zinc/46/86/45/1378468645.db2.gz TXXSTHDOLRWHAO-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(OC)cc2)CCCC1)N(C)C ZINC001438401423 1388562725 /nfs/dbraw/zinc/56/27/25/1388562725.db2.gz LHXNVJZAWSVEMV-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCC2CC2)CC1 ZINC001421587814 1378854037 /nfs/dbraw/zinc/85/40/37/1378854037.db2.gz IMDGCFVBNFNHOY-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001421604547 1378872986 /nfs/dbraw/zinc/87/29/86/1378872986.db2.gz AYZIHISCEKURLA-INIZCTEOSA-N 1 3 329.488 2.534 20 0 EFADHO CC1CC(C[NH+]2CCC(CCNC(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001421635608 1378920926 /nfs/dbraw/zinc/92/09/26/1378920926.db2.gz WOUYUJAMEIXGBH-MUYFXNHWSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1Cl ZINC001421705064 1379015458 /nfs/dbraw/zinc/01/54/58/1379015458.db2.gz VMXZOKYIHIYVMN-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CNC/C(Cl)=C\Cl)CNC(=O)CC[NH+]1CCCCC1 ZINC001421765662 1379102849 /nfs/dbraw/zinc/10/28/49/1379102849.db2.gz JOBWRIAQAUAWBQ-FYQHACEVSA-N 1 3 336.307 2.523 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001421767229 1379105459 /nfs/dbraw/zinc/10/54/59/1379105459.db2.gz IRJNSTZJEQKIFC-DYVFJYSZSA-N 1 3 346.450 2.893 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2cccc(F)c2)CCC1)N(C)C ZINC001421771898 1379114448 /nfs/dbraw/zinc/11/44/48/1379114448.db2.gz QWDQNKALSHEIEZ-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(C)c(F)c2)CCC1 ZINC001421778702 1379126932 /nfs/dbraw/zinc/12/69/32/1379126932.db2.gz NEWRXLSRMSWHQS-UHFFFAOYSA-N 1 3 335.467 2.604 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001421815166 1379166216 /nfs/dbraw/zinc/16/62/16/1379166216.db2.gz AJTQYTNZCPXKPJ-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)N(C)C ZINC001421815166 1379166218 /nfs/dbraw/zinc/16/62/18/1379166218.db2.gz AJTQYTNZCPXKPJ-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001421815761 1379168019 /nfs/dbraw/zinc/16/80/19/1379168019.db2.gz BJRUYGNXAHKKJZ-MOPGFXCFSA-N 1 3 349.494 2.883 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001421823400 1379183732 /nfs/dbraw/zinc/18/37/32/1379183732.db2.gz RJLQYQNORVHKNJ-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cncc(C)c2)CC1 ZINC001421823400 1379183736 /nfs/dbraw/zinc/18/37/36/1379183736.db2.gz RJLQYQNORVHKNJ-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO C[C@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001438436259 1388599060 /nfs/dbraw/zinc/59/90/60/1388599060.db2.gz ILWZLIQCEMVGAN-INIZCTEOSA-N 1 3 340.471 2.932 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001421863219 1379260135 /nfs/dbraw/zinc/26/01/35/1379260135.db2.gz PIGZFAIQIKMJEH-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1C)N(C)C ZINC001421863219 1379260139 /nfs/dbraw/zinc/26/01/39/1379260139.db2.gz PIGZFAIQIKMJEH-LJQANCHMSA-N 1 3 333.520 2.924 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)CN(C)C1CCC1 ZINC001421902139 1379331275 /nfs/dbraw/zinc/33/12/75/1379331275.db2.gz KKHSCUBUTSWRQW-LIRRHRJNSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001421955299 1379404893 /nfs/dbraw/zinc/40/48/93/1379404893.db2.gz FEQBPLBYZAMCNE-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1Cc2ccccc2CN1CC(C)C ZINC001421955299 1379404898 /nfs/dbraw/zinc/40/48/98/1379404898.db2.gz FEQBPLBYZAMCNE-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCc1ccccc1Cl ZINC001422038582 1379525752 /nfs/dbraw/zinc/52/57/52/1379525752.db2.gz HCYASQYXDRIZNM-WMLDXEAASA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCc1ccccc1Cl ZINC001422038579 1379525823 /nfs/dbraw/zinc/52/58/23/1379525823.db2.gz HCYASQYXDRIZNM-PBHICJAKSA-N 1 3 349.906 2.618 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCc2ccc(CC)cc2)C1 ZINC001422048571 1379540298 /nfs/dbraw/zinc/54/02/98/1379540298.db2.gz MWXCFAALSCFLIA-FXAWDEMLSA-N 1 3 345.531 2.570 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CCC(CCN(C)CCF)CC2)CC1 ZINC001422061341 1379559140 /nfs/dbraw/zinc/55/91/40/1379559140.db2.gz KEBJOLPTPVVLDI-UHFFFAOYSA-N 1 3 341.515 2.637 20 0 EFADHO COc1cccc([C@H]2CN(CC[N@H+](C)Cc3ccccc3)CCN2)c1 ZINC001422164192 1379709526 /nfs/dbraw/zinc/70/95/26/1379709526.db2.gz VEQRALVTHNFAQL-OAQYLSRUSA-N 1 3 339.483 2.774 20 0 EFADHO COc1cccc([C@H]2CN(CC[N@@H+](C)Cc3ccccc3)CCN2)c1 ZINC001422164192 1379709528 /nfs/dbraw/zinc/70/95/28/1379709528.db2.gz VEQRALVTHNFAQL-OAQYLSRUSA-N 1 3 339.483 2.774 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001422175348 1379726389 /nfs/dbraw/zinc/72/63/89/1379726389.db2.gz BBOKPIMWUDZDGA-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1c2ccccc2CCN1CC1CC1 ZINC001422175348 1379726394 /nfs/dbraw/zinc/72/63/94/1379726394.db2.gz BBOKPIMWUDZDGA-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001422178179 1379733183 /nfs/dbraw/zinc/73/31/83/1379733183.db2.gz NXAMTTLFDSVPHG-UXHICEINSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](C(C)C)N(C)C ZINC001422178179 1379733187 /nfs/dbraw/zinc/73/31/87/1379733187.db2.gz NXAMTTLFDSVPHG-UXHICEINSA-N 1 3 345.531 2.944 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422204241 1379767145 /nfs/dbraw/zinc/76/71/45/1379767145.db2.gz WRUIHRCPHRZFSN-BJMVGYQFSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001422204241 1379767148 /nfs/dbraw/zinc/76/71/48/1379767148.db2.gz WRUIHRCPHRZFSN-BJMVGYQFSA-N 1 3 341.927 2.784 20 0 EFADHO CCc1cccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)c1 ZINC001422212158 1379781229 /nfs/dbraw/zinc/78/12/29/1379781229.db2.gz KOBWFGMOISUARI-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001422214089 1379784476 /nfs/dbraw/zinc/78/44/76/1379784476.db2.gz SZQQZYPFMKPKKJ-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2c1cccc2F ZINC001422214089 1379784482 /nfs/dbraw/zinc/78/44/82/1379784482.db2.gz SZQQZYPFMKPKKJ-SFHVURJKSA-N 1 3 335.467 2.545 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001422233372 1379824023 /nfs/dbraw/zinc/82/40/23/1379824023.db2.gz XQONIONIYHUXCB-KRWDZBQOSA-N 1 3 345.531 2.968 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2 ZINC001422233372 1379824027 /nfs/dbraw/zinc/82/40/27/1379824027.db2.gz XQONIONIYHUXCB-KRWDZBQOSA-N 1 3 345.531 2.968 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccccc2C)C1 ZINC001422245024 1379848958 /nfs/dbraw/zinc/84/89/58/1379848958.db2.gz IUOVXAKYYPYHHU-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2C)C1 ZINC001422245024 1379848961 /nfs/dbraw/zinc/84/89/61/1379848961.db2.gz IUOVXAKYYPYHHU-WOJBJXKFSA-N 1 3 343.515 2.760 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001422288120 1379899263 /nfs/dbraw/zinc/89/92/63/1379899263.db2.gz WBMCYQPGIJQHQA-OALUTQOASA-N 1 3 331.504 2.711 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438498204 1388641028 /nfs/dbraw/zinc/64/10/28/1388641028.db2.gz MDISAXNDCCDVPV-MRXNPFEDSA-N 1 3 345.531 2.938 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001422421983 1380071428 /nfs/dbraw/zinc/07/14/28/1380071428.db2.gz NGGMYCRUVCQZOK-UHFFFAOYSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC001422442542 1380106621 /nfs/dbraw/zinc/10/66/21/1380106621.db2.gz JGMTUYWOTGAUAT-GOSISDBHSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)c1 ZINC001422465528 1380152498 /nfs/dbraw/zinc/15/24/98/1380152498.db2.gz IYYNYZIIPHOIMX-UHFFFAOYSA-N 1 3 328.460 2.535 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cs1 ZINC001422489711 1380190269 /nfs/dbraw/zinc/19/02/69/1380190269.db2.gz FWQVKGHAZSFZCM-CQSZACIVSA-N 1 3 337.533 2.915 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001422506063 1380218047 /nfs/dbraw/zinc/21/80/47/1380218047.db2.gz QJXRUDOKYJJDLG-ZIAGYGMSSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC001422515544 1380235178 /nfs/dbraw/zinc/23/51/78/1380235178.db2.gz IIRHYEKSRVSQLM-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC001422515544 1380235181 /nfs/dbraw/zinc/23/51/81/1380235181.db2.gz IIRHYEKSRVSQLM-QGZVFWFLSA-N 1 3 331.504 2.888 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422521235 1380246724 /nfs/dbraw/zinc/24/67/24/1380246724.db2.gz FTFBFCLYPRPBCN-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422521235 1380246726 /nfs/dbraw/zinc/24/67/26/1380246726.db2.gz FTFBFCLYPRPBCN-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc2c(c1)CCC2 ZINC001422526983 1380256425 /nfs/dbraw/zinc/25/64/25/1380256425.db2.gz NJYQDAHFJNIWOM-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001422526983 1380256427 /nfs/dbraw/zinc/25/64/27/1380256427.db2.gz NJYQDAHFJNIWOM-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422534955 1380273887 /nfs/dbraw/zinc/27/38/87/1380273887.db2.gz YFVNMUZEGZFXEB-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001422534955 1380273890 /nfs/dbraw/zinc/27/38/90/1380273890.db2.gz YFVNMUZEGZFXEB-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001422547162 1380296854 /nfs/dbraw/zinc/29/68/54/1380296854.db2.gz PHQWLRGZNNXZLK-PBFPGSCMSA-N 1 3 341.446 2.706 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001422560860 1380325713 /nfs/dbraw/zinc/32/57/13/1380325713.db2.gz LPIPAKYFRORYSZ-GOSISDBHSA-N 1 3 347.547 2.952 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001422560860 1380325718 /nfs/dbraw/zinc/32/57/18/1380325718.db2.gz LPIPAKYFRORYSZ-GOSISDBHSA-N 1 3 347.547 2.952 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438533563 1388660226 /nfs/dbraw/zinc/66/02/26/1388660226.db2.gz SLBRRPDOGCPSMC-GJZGRUSLSA-N 1 3 337.895 2.524 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC001422695139 1380618821 /nfs/dbraw/zinc/61/88/21/1380618821.db2.gz HZZSLKROTIGKMW-QFBILLFUSA-N 1 3 333.520 2.991 20 0 EFADHO CCc1cccc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001422736470 1380735796 /nfs/dbraw/zinc/73/57/96/1380735796.db2.gz VCFPDHHXFFAZBE-UZLBHIALSA-N 1 3 345.531 2.772 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001422751024 1380755851 /nfs/dbraw/zinc/75/58/51/1380755851.db2.gz ANMPUKKCZCGDHC-DLBZAZTESA-N 1 3 331.504 2.834 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001422871781 1380976265 /nfs/dbraw/zinc/97/62/65/1380976265.db2.gz FQHVUPVEXTYLQA-INIZCTEOSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001422871781 1380976269 /nfs/dbraw/zinc/97/62/69/1380976269.db2.gz FQHVUPVEXTYLQA-INIZCTEOSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001422906424 1381033669 /nfs/dbraw/zinc/03/36/69/1381033669.db2.gz FVSVXEUWGDHCNR-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001422906424 1381033676 /nfs/dbraw/zinc/03/36/76/1381033676.db2.gz FVSVXEUWGDHCNR-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001422927900 1381075197 /nfs/dbraw/zinc/07/51/97/1381075197.db2.gz BFHWWLCPUIPETQ-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC(N(C)Cc2ccccc2F)CC1 ZINC001422927900 1381075200 /nfs/dbraw/zinc/07/52/00/1381075200.db2.gz BFHWWLCPUIPETQ-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929565 1381078351 /nfs/dbraw/zinc/07/83/51/1381078351.db2.gz WWVNRQUISRVTGV-DXWDOBMASA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CCC(N(C)C/C=C/Cl)CC2)C1 ZINC001422929565 1381078355 /nfs/dbraw/zinc/07/83/55/1381078355.db2.gz WWVNRQUISRVTGV-DXWDOBMASA-N 1 3 341.927 2.784 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422949689 1381108963 /nfs/dbraw/zinc/10/89/63/1381108963.db2.gz XREVQROTASABHO-XBMZPMPPSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)C/C=C\Cl)CC1 ZINC001422949689 1381108968 /nfs/dbraw/zinc/10/89/68/1381108968.db2.gz XREVQROTASABHO-XBMZPMPPSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422949667 1381109086 /nfs/dbraw/zinc/10/90/86/1381109086.db2.gz XREVQROTASABHO-DKISHCGFSA-N 1 3 341.927 2.925 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(N(C)C/C=C/Cl)CC1 ZINC001422949667 1381109090 /nfs/dbraw/zinc/10/90/90/1381109090.db2.gz XREVQROTASABHO-DKISHCGFSA-N 1 3 341.927 2.925 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)NCc1ccccc1F ZINC001423167174 1381489121 /nfs/dbraw/zinc/48/91/21/1381489121.db2.gz CHNMVLRXBRWEMX-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001423210533 1381589145 /nfs/dbraw/zinc/58/91/45/1381589145.db2.gz PAQOJPOZUVSZKU-GOSISDBHSA-N 1 3 347.478 2.745 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CC1 ZINC001423225630 1381620378 /nfs/dbraw/zinc/62/03/78/1381620378.db2.gz FWUBCNMSAXAJJQ-SFHVURJKSA-N 1 3 347.478 2.747 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCc2ccccc2F)CC1)CC(C)(C)C ZINC001423277759 1381738045 /nfs/dbraw/zinc/73/80/45/1381738045.db2.gz AMQTWYYGPQGQHP-UHFFFAOYSA-N 1 3 349.494 2.585 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2cccc3ccccc32)CC1 ZINC001423295373 1381753954 /nfs/dbraw/zinc/75/39/54/1381753954.db2.gz VODPEGCCACYKCT-UHFFFAOYSA-N 1 3 339.483 2.920 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001423307019 1381763594 /nfs/dbraw/zinc/76/35/94/1381763594.db2.gz QURWOQRYFHQCAQ-QGZVFWFLSA-N 1 3 343.515 2.674 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC001423307019 1381763602 /nfs/dbraw/zinc/76/36/02/1381763602.db2.gz QURWOQRYFHQCAQ-QGZVFWFLSA-N 1 3 343.515 2.674 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001423323064 1381782391 /nfs/dbraw/zinc/78/23/91/1381782391.db2.gz MSBUGLKYADGOQH-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001423323064 1381782396 /nfs/dbraw/zinc/78/23/96/1381782396.db2.gz MSBUGLKYADGOQH-IBGZPJMESA-N 1 3 335.536 2.689 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](CC1CC1)C1CCCCCC1 ZINC001423333081 1381797189 /nfs/dbraw/zinc/79/71/89/1381797189.db2.gz CDRHJCJXLSACLE-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](CC1CC1)C1CCCCCC1 ZINC001423333081 1381797195 /nfs/dbraw/zinc/79/71/95/1381797195.db2.gz CDRHJCJXLSACLE-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO C[C@@H]1C[C@@H](NC/C=C/Cl)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001423352338 1381829269 /nfs/dbraw/zinc/82/92/69/1381829269.db2.gz XOZFHNDIYSMXPN-CGMDNHBQSA-N 1 3 327.900 2.584 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001423386515 1381888379 /nfs/dbraw/zinc/88/83/79/1381888379.db2.gz NXMGJEUGVBOREI-FUHWJXTLSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001438705923 1388751056 /nfs/dbraw/zinc/75/10/56/1388751056.db2.gz LUUNGGNOPUNMLD-VQIMIIECSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1nc2ccccn2c1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001423479390 1381973981 /nfs/dbraw/zinc/97/39/81/1381973981.db2.gz CMWWCUMEGUSECH-UHFFFAOYSA-N 1 3 342.487 2.766 20 0 EFADHO C[C@H](NC1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001423693402 1382301400 /nfs/dbraw/zinc/30/14/00/1382301400.db2.gz TZICPPAFJOSVTO-FHERZECASA-N 1 3 347.478 2.808 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001423696063 1382307528 /nfs/dbraw/zinc/30/75/28/1382307528.db2.gz QAGJGJSTBWIOFH-UHFFFAOYSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(CF)cc2)C1 ZINC001423950694 1382537646 /nfs/dbraw/zinc/53/76/46/1382537646.db2.gz PRSAYTRZGBRNSF-LPHOPBHVSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001423952564 1382539953 /nfs/dbraw/zinc/53/99/53/1382539953.db2.gz QQYGZDCPAGFPSS-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001423983256 1382591443 /nfs/dbraw/zinc/59/14/43/1382591443.db2.gz ADJFVCSIADSHHM-AQNXPRMDSA-N 1 3 349.563 2.791 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001423983256 1382591447 /nfs/dbraw/zinc/59/14/47/1382591447.db2.gz ADJFVCSIADSHHM-AQNXPRMDSA-N 1 3 349.563 2.791 20 0 EFADHO CCC[N@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001438777483 1388806775 /nfs/dbraw/zinc/80/67/75/1388806775.db2.gz IXCJWQBFHTVSAD-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCC[N@@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001438777483 1388806778 /nfs/dbraw/zinc/80/67/78/1388806778.db2.gz IXCJWQBFHTVSAD-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CC2)CCC1)N1CCCCC1 ZINC001424211473 1382870400 /nfs/dbraw/zinc/87/04/00/1382870400.db2.gz NARFLYBUSXBLDS-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001424284900 1382918382 /nfs/dbraw/zinc/91/83/82/1382918382.db2.gz YLGDOKFJZLWKMJ-GEZBDVBVSA-N 1 3 327.900 2.586 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)C1CN(Cc2ccccc2C2CC2)C1 ZINC001425252402 1383568947 /nfs/dbraw/zinc/56/89/47/1383568947.db2.gz JCTVNLSHMIQRBZ-INIZCTEOSA-N 1 3 343.515 2.842 20 0 EFADHO CN(CC(=O)N(C)[C@@H](C[NH2+]Cc1cccc(F)c1)C1CC1)C1CCC1 ZINC001425497099 1383671379 /nfs/dbraw/zinc/67/13/79/1383671379.db2.gz WQPLULAGHSXGDL-IBGZPJMESA-N 1 3 347.478 2.637 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@H]1C ZINC001425904674 1383842384 /nfs/dbraw/zinc/84/23/84/1383842384.db2.gz DYZNWLMRZCJKFJ-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001425904683 1383842580 /nfs/dbraw/zinc/84/25/80/1383842580.db2.gz DYZNWLMRZCJKFJ-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CCc2ccccc2CC)C[C@@H]1C ZINC001425915790 1383851613 /nfs/dbraw/zinc/85/16/13/1383851613.db2.gz NQIQUORMXQQYPV-FXAWDEMLSA-N 1 3 345.531 2.712 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001426208657 1384071891 /nfs/dbraw/zinc/07/18/91/1384071891.db2.gz PDTXHTVYDFSSPG-UHFFFAOYSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001438899824 1388902636 /nfs/dbraw/zinc/90/26/36/1388902636.db2.gz ZVYKNDPNOGRRJP-INIZCTEOSA-N 1 3 347.478 2.905 20 0 EFADHO CN(CCN(C)[C@H]1CCc2ccc(F)cc21)C(=O)C1CC[NH+](C)CC1 ZINC001438902827 1388904550 /nfs/dbraw/zinc/90/45/50/1388904550.db2.gz AZDDIIRGWABZGQ-IBGZPJMESA-N 1 3 347.478 2.545 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC001426685447 1384489301 /nfs/dbraw/zinc/48/93/01/1384489301.db2.gz UPSINMHMZOLZAV-MOPGFXCFSA-N 1 3 346.519 2.587 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC001426685447 1384489302 /nfs/dbraw/zinc/48/93/02/1384489302.db2.gz UPSINMHMZOLZAV-MOPGFXCFSA-N 1 3 346.519 2.587 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001426904016 1384620121 /nfs/dbraw/zinc/62/01/21/1384620121.db2.gz JEHGFQRRFOOIGJ-LJQANCHMSA-N 1 3 346.519 2.600 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001426904016 1384620124 /nfs/dbraw/zinc/62/01/24/1384620124.db2.gz JEHGFQRRFOOIGJ-LJQANCHMSA-N 1 3 346.519 2.600 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@H]1CCCCN1C)[NH+]1CCCCCC1 ZINC001428358223 1385416649 /nfs/dbraw/zinc/41/66/49/1385416649.db2.gz XTFVJDJXPOKQET-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439080953 1388984966 /nfs/dbraw/zinc/98/49/66/1388984966.db2.gz GRCFJKZXSWSCTM-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439080953 1388984969 /nfs/dbraw/zinc/98/49/69/1388984969.db2.gz GRCFJKZXSWSCTM-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001434438618 1387151168 /nfs/dbraw/zinc/15/11/68/1387151168.db2.gz SKJRHSUMSCXWBS-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001434438618 1387151172 /nfs/dbraw/zinc/15/11/72/1387151172.db2.gz SKJRHSUMSCXWBS-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)s1)NC(=O)CN(C)CC(C)(C)C ZINC001439252829 1389075723 /nfs/dbraw/zinc/07/57/23/1389075723.db2.gz JTPCJIKUVNPRSW-LBPRGKRZSA-N 1 3 345.940 2.974 20 0 EFADHO C[C@@H](CNCc1cc(Cl)cc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001439256411 1389077575 /nfs/dbraw/zinc/07/75/75/1389077575.db2.gz IZUGXDSJPUJLFJ-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001439275077 1389089882 /nfs/dbraw/zinc/08/98/82/1389089882.db2.gz PMSDWYAGSLLFEZ-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330649 1389149579 /nfs/dbraw/zinc/14/95/79/1389149579.db2.gz JWMVARUAQZAHFA-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001439330649 1389149585 /nfs/dbraw/zinc/14/95/85/1389149585.db2.gz JWMVARUAQZAHFA-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1 ZINC001439398975 1389241999 /nfs/dbraw/zinc/24/19/99/1389241999.db2.gz HKXQTEFNCNXUOZ-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001439398975 1389242004 /nfs/dbraw/zinc/24/20/04/1389242004.db2.gz HKXQTEFNCNXUOZ-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001439407982 1389259232 /nfs/dbraw/zinc/25/92/32/1389259232.db2.gz VVIQZWOKIOAUET-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC001439407982 1389259239 /nfs/dbraw/zinc/25/92/39/1389259239.db2.gz VVIQZWOKIOAUET-DNVCBOLYSA-N 1 3 349.494 2.981 20 0 EFADHO COc1cccc(CN2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001439804812 1389334324 /nfs/dbraw/zinc/33/43/24/1389334324.db2.gz PERWSUDREIPDTQ-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@]2(C)CCC[N@H+](CCCF)C2)c1 ZINC001439947843 1389365697 /nfs/dbraw/zinc/36/56/97/1389365697.db2.gz IVYYPIPYOYMWFL-FQEVSTJZSA-N 1 3 349.494 2.940 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@]2(C)CCC[N@@H+](CCCF)C2)c1 ZINC001439947843 1389365703 /nfs/dbraw/zinc/36/57/03/1389365703.db2.gz IVYYPIPYOYMWFL-FQEVSTJZSA-N 1 3 349.494 2.940 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001440129874 1389402820 /nfs/dbraw/zinc/40/28/20/1389402820.db2.gz WMRPAISJGOTUKW-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)C1 ZINC001440223836 1389453317 /nfs/dbraw/zinc/45/33/17/1389453317.db2.gz RMDRQOZQKNUAMD-QYPAVMIOSA-N 1 3 348.318 2.522 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNC/C(Cl)=C/Cl)CC2)C1 ZINC001440223836 1389453318 /nfs/dbraw/zinc/45/33/18/1389453318.db2.gz RMDRQOZQKNUAMD-QYPAVMIOSA-N 1 3 348.318 2.522 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001440317331 1389529562 /nfs/dbraw/zinc/52/95/62/1389529562.db2.gz CCWJRBCEVPPQCT-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCC1)C1CCC1 ZINC001440319057 1389531419 /nfs/dbraw/zinc/53/14/19/1389531419.db2.gz FDYHEUFBGRKPJM-UXBLZVDNSA-N 1 3 341.499 2.813 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2Cl)C1)C1CCC1 ZINC001440337197 1389544970 /nfs/dbraw/zinc/54/49/70/1389544970.db2.gz CYQAFAPQIAWRRU-KOMQPUFPSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001440375322 1389575455 /nfs/dbraw/zinc/57/54/55/1389575455.db2.gz UVWFRHDITMFHPA-QRTARXTBSA-N 1 3 326.444 2.506 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)CC1)CC(C)(C)C ZINC001440399696 1389597872 /nfs/dbraw/zinc/59/78/72/1389597872.db2.gz UXVQKVMEKSGIQM-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)CC1)CC(C)(C)C ZINC001440399696 1389597878 /nfs/dbraw/zinc/59/78/78/1389597878.db2.gz UXVQKVMEKSGIQM-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO CN(CCC[N@H+](C)Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C ZINC001440425919 1389623426 /nfs/dbraw/zinc/62/34/26/1389623426.db2.gz JDSWWNSTUMUYRM-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCN1C ZINC001440425919 1389623429 /nfs/dbraw/zinc/62/34/29/1389623429.db2.gz JDSWWNSTUMUYRM-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001440477556 1389684355 /nfs/dbraw/zinc/68/43/55/1389684355.db2.gz DEXAGENTOQIJGN-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001440477556 1389684358 /nfs/dbraw/zinc/68/43/58/1389684358.db2.gz DEXAGENTOQIJGN-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001440593092 1389763442 /nfs/dbraw/zinc/76/34/42/1389763442.db2.gz BRUNWQZBDZHRGQ-SUMWQHHRSA-N 1 3 337.533 2.643 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751466 1389869957 /nfs/dbraw/zinc/86/99/57/1389869957.db2.gz WGQXYFQFHPJCMG-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751466 1389869964 /nfs/dbraw/zinc/86/99/64/1389869964.db2.gz WGQXYFQFHPJCMG-QZTJIDSGSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001440873227 1389969436 /nfs/dbraw/zinc/96/94/36/1389969436.db2.gz ADXNRRSNLYNCSV-QGZVFWFLSA-N 1 3 337.483 2.740 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930821 1390019443 /nfs/dbraw/zinc/01/94/43/1390019443.db2.gz CLWJCFCXQZBFSM-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930821 1390019446 /nfs/dbraw/zinc/01/94/46/1390019446.db2.gz CLWJCFCXQZBFSM-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)CCCc1ccsc1 ZINC001440932951 1390021825 /nfs/dbraw/zinc/02/18/25/1390021825.db2.gz GDXPWADVLWLYLC-HNNXBMFYSA-N 1 3 337.533 2.602 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)CCCc1ccsc1 ZINC001440932951 1390021831 /nfs/dbraw/zinc/02/18/31/1390021831.db2.gz GDXPWADVLWLYLC-HNNXBMFYSA-N 1 3 337.533 2.602 20 0 EFADHO Cc1cc(CN(C)[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)c(C)s1 ZINC001440955740 1390045613 /nfs/dbraw/zinc/04/56/13/1390045613.db2.gz MHSDHAKNSPEXEO-AWEZNQCLSA-N 1 3 349.544 2.930 20 0 EFADHO COc1cc(CN(C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)ccc1C ZINC001440967219 1390057583 /nfs/dbraw/zinc/05/75/83/1390057583.db2.gz KEZHXYDCPKPTIE-QFBILLFUSA-N 1 3 349.519 2.526 20 0 EFADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1ccc(CF)cc1 ZINC001440972330 1390063765 /nfs/dbraw/zinc/06/37/65/1390063765.db2.gz GJZWQPQAESYTDY-MRXNPFEDSA-N 1 3 349.494 2.825 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001441001541 1391021926 /nfs/dbraw/zinc/02/19/26/1391021926.db2.gz WLFYHGVLROMNEE-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001441001541 1391021930 /nfs/dbraw/zinc/02/19/30/1391021930.db2.gz WLFYHGVLROMNEE-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO Cc1cccnc1CN[C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001441001233 1391022276 /nfs/dbraw/zinc/02/22/76/1391022276.db2.gz QQWHZXDAFOEDNQ-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccnc1 ZINC001441087474 1391080391 /nfs/dbraw/zinc/08/03/91/1391080391.db2.gz DRICLVJATJRHRA-SFHVURJKSA-N 1 3 346.519 2.529 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001441155019 1391151290 /nfs/dbraw/zinc/15/12/90/1391151290.db2.gz KFSMAKUKEXWROW-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN(CCC(F)(F)F)CC2 ZINC001441155019 1391151291 /nfs/dbraw/zinc/15/12/91/1391151291.db2.gz KFSMAKUKEXWROW-CQSZACIVSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@@H](C)NC(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001441159307 1391154257 /nfs/dbraw/zinc/15/42/57/1391154257.db2.gz LMIDHFWNKXEECA-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001441186221 1391167084 /nfs/dbraw/zinc/16/70/84/1391167084.db2.gz ZPMXZPFNLDLZOF-FXAWDEMLSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001441189461 1391169459 /nfs/dbraw/zinc/16/94/59/1391169459.db2.gz URJHBGWCBVZYSN-QGZVFWFLSA-N 1 3 343.515 2.663 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC(C)C)C2)N(C)C ZINC001441341672 1391259891 /nfs/dbraw/zinc/25/98/91/1391259891.db2.gz WYNJZAOHYIDSJD-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](C[C@@H](C)CC(C)C)C2)N(C)C ZINC001441341672 1391259894 /nfs/dbraw/zinc/25/98/94/1391259894.db2.gz WYNJZAOHYIDSJD-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001441415407 1391291245 /nfs/dbraw/zinc/29/12/45/1391291245.db2.gz GAHYDGYDRPOXQA-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](CCCC2CCC2)C1)C1CCC1 ZINC001441553862 1391361472 /nfs/dbraw/zinc/36/14/72/1391361472.db2.gz KZXGHZRJFQTGNT-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](CCCC2CCC2)C1)C1CCC1 ZINC001441553862 1391361477 /nfs/dbraw/zinc/36/14/77/1391361477.db2.gz KZXGHZRJFQTGNT-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001441623632 1391388650 /nfs/dbraw/zinc/38/86/50/1391388650.db2.gz SHPQLFRFPDDKIL-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001442571286 1391445473 /nfs/dbraw/zinc/44/54/73/1391445473.db2.gz RHUPQCIJBRXVFF-UHFFFAOYSA-N 1 3 333.520 2.874 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)Cc1ccc(C(C)(C)C)cc1 ZINC001442571286 1391445479 /nfs/dbraw/zinc/44/54/79/1391445479.db2.gz RHUPQCIJBRXVFF-UHFFFAOYSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001444318055 1391471090 /nfs/dbraw/zinc/47/10/90/1391471090.db2.gz GSTJJCVHCAAANG-WBVHZDCISA-N 1 3 331.504 2.882 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]Cc1ccccc1 ZINC001444443638 1391492259 /nfs/dbraw/zinc/49/22/59/1391492259.db2.gz OUVSLEJXGHKHDJ-KRWDZBQOSA-N 1 3 339.483 2.904 20 0 EFADHO CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001446698748 1391588214 /nfs/dbraw/zinc/58/82/14/1391588214.db2.gz WWGWMHGADSMZTO-HXUWFJFHSA-N 1 3 331.504 2.990 20 0 EFADHO CCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001446698748 1391588215 /nfs/dbraw/zinc/58/82/15/1391588215.db2.gz WWGWMHGADSMZTO-HXUWFJFHSA-N 1 3 331.504 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CCC(F)(F)F)CC1 ZINC001506978781 1406539137 /nfs/dbraw/zinc/53/91/37/1406539137.db2.gz UMZDHCKGEAQCRG-HNNXBMFYSA-N 1 3 349.441 2.736 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC(F)(F)F)CC1 ZINC001506978781 1406539144 /nfs/dbraw/zinc/53/91/44/1406539144.db2.gz UMZDHCKGEAQCRG-HNNXBMFYSA-N 1 3 349.441 2.736 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001448689136 1392172216 /nfs/dbraw/zinc/17/22/16/1392172216.db2.gz XWANVPSQNAGIPQ-ZDUSSCGKSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001450789617 1392751880 /nfs/dbraw/zinc/75/18/80/1392751880.db2.gz JRLBACBLGXVINS-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)C1 ZINC001450789617 1392751883 /nfs/dbraw/zinc/75/18/83/1392751883.db2.gz JRLBACBLGXVINS-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1C ZINC001507088750 1406686838 /nfs/dbraw/zinc/68/68/38/1406686838.db2.gz JTZQOQQPTIIVAT-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001507151870 1406776517 /nfs/dbraw/zinc/77/65/17/1406776517.db2.gz KQCOLEKPFZRKMG-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460193086 1396013037 /nfs/dbraw/zinc/01/30/37/1396013037.db2.gz BYPLPJXVEAYEMK-UHOSZYNNSA-N 1 3 334.504 2.865 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001460193086 1396013042 /nfs/dbraw/zinc/01/30/42/1396013042.db2.gz BYPLPJXVEAYEMK-UHOSZYNNSA-N 1 3 334.504 2.865 20 0 EFADHO C[C@@H]1CCCN1C(=O)CCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460624235 1396238222 /nfs/dbraw/zinc/23/82/22/1396238222.db2.gz ACGYSBMMICOABJ-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(CC3CC3)CC2)ccc1-n1cncn1 ZINC001461068328 1396287363 /nfs/dbraw/zinc/28/73/63/1396287363.db2.gz SXDUVARBKCOCHY-UHFFFAOYSA-N 1 3 325.460 2.540 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100341 1396289639 /nfs/dbraw/zinc/28/96/39/1396289639.db2.gz HQMGRYNEXFTPTM-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100341 1396289644 /nfs/dbraw/zinc/28/96/44/1396289644.db2.gz HQMGRYNEXFTPTM-UONOGXRCSA-N 1 3 349.466 2.856 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(-c2ccccc2)nc1 ZINC001461341541 1396371127 /nfs/dbraw/zinc/37/11/27/1396371127.db2.gz BYUAYWYGDTVLOH-GOSISDBHSA-N 1 3 328.460 2.590 20 0 EFADHO CCNc1ccccc1C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC001462065703 1396419273 /nfs/dbraw/zinc/41/92/73/1396419273.db2.gz RDCXWBLOTXNNJH-UHFFFAOYSA-N 1 3 344.547 2.968 20 0 EFADHO CC[NH+]1CCC(CN2CC(c3nc(-c4ccccc4)no3)C2)CC1 ZINC001462606571 1396444491 /nfs/dbraw/zinc/44/44/91/1396444491.db2.gz SXQKLSUYSLHFSI-UHFFFAOYSA-N 1 3 326.444 2.868 20 0 EFADHO C[C@@H]1[C@@H](NCc2cc3ccccc3o2)CCN1C(=O)CCC[NH+](C)C ZINC001507291583 1406857031 /nfs/dbraw/zinc/85/70/31/1406857031.db2.gz WVALOCHYGMLTIR-QAPCUYQASA-N 1 3 343.471 2.854 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC001469729687 1397052334 /nfs/dbraw/zinc/05/23/34/1397052334.db2.gz ANTIAUYPUNASHW-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCCCN2C)c1 ZINC001471510368 1397179758 /nfs/dbraw/zinc/17/97/58/1397179758.db2.gz XENJPRCFWMJYEM-IBGZPJMESA-N 1 3 346.519 2.553 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472140 1397535430 /nfs/dbraw/zinc/53/54/30/1397535430.db2.gz PTILIWATTHKBAX-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001477472140 1397535431 /nfs/dbraw/zinc/53/54/31/1397535431.db2.gz PTILIWATTHKBAX-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001477472720 1397535831 /nfs/dbraw/zinc/53/58/31/1397535831.db2.gz USTINBWFSWOUCV-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001477472720 1397535833 /nfs/dbraw/zinc/53/58/33/1397535833.db2.gz USTINBWFSWOUCV-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001478537757 1397583333 /nfs/dbraw/zinc/58/33/33/1397583333.db2.gz ZLCRYUICLMLHKY-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCCN(C)C1 ZINC001478537757 1397583336 /nfs/dbraw/zinc/58/33/36/1397583336.db2.gz ZLCRYUICLMLHKY-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001479400246 1397714668 /nfs/dbraw/zinc/71/46/68/1397714668.db2.gz QFYQKIOPPRHULO-MBOZVWFJSA-N 1 3 343.515 2.575 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001479399634 1397714979 /nfs/dbraw/zinc/71/49/79/1397714979.db2.gz NVKJDVPVUXVDQM-WGSAOQKQSA-N 1 3 345.531 2.957 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001479407603 1397716995 /nfs/dbraw/zinc/71/69/95/1397716995.db2.gz DKAMXMXDAAQJOC-BZSNNMDCSA-N 1 3 331.504 2.882 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001479407612 1397717085 /nfs/dbraw/zinc/71/70/85/1397717085.db2.gz DKAMXMXDAAQJOC-KZNAEPCWSA-N 1 3 331.504 2.882 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001479410121 1397718641 /nfs/dbraw/zinc/71/86/41/1397718641.db2.gz BJJMZLMIQFUFNE-DKIMLUQUSA-N 1 3 346.519 2.961 20 0 EFADHO C[C@@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001480022693 1398098942 /nfs/dbraw/zinc/09/89/42/1398098942.db2.gz HLRWKBIFQXHRES-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1F ZINC001480022692 1398099193 /nfs/dbraw/zinc/09/91/93/1398099193.db2.gz HLRWKBIFQXHRES-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480086237 1398123622 /nfs/dbraw/zinc/12/36/22/1398123622.db2.gz WVZDZAUJPOBRJF-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001480086237 1398123626 /nfs/dbraw/zinc/12/36/26/1398123626.db2.gz WVZDZAUJPOBRJF-KRWDZBQOSA-N 1 3 332.492 2.703 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001480155455 1398130754 /nfs/dbraw/zinc/13/07/54/1398130754.db2.gz SRIALMHEGYHGPZ-IHRRRGAJSA-N 1 3 348.318 2.664 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H](NCC=C(Cl)Cl)C2)C1 ZINC001480155455 1398130759 /nfs/dbraw/zinc/13/07/59/1398130759.db2.gz SRIALMHEGYHGPZ-IHRRRGAJSA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001480168622 1398139116 /nfs/dbraw/zinc/13/91/16/1398139116.db2.gz RIRZUVKTSOYLES-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001480675061 1398277148 /nfs/dbraw/zinc/27/71/48/1398277148.db2.gz CNQMJOOEIBZHTJ-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC(F)(F)C3)C2)CCC1 ZINC001480697770 1398291071 /nfs/dbraw/zinc/29/10/71/1398291071.db2.gz NZCDKOCCIIQIIZ-HUUCEWRRSA-N 1 3 343.462 2.533 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001480709753 1398301745 /nfs/dbraw/zinc/30/17/45/1398301745.db2.gz SVHASMYMFIHJGN-OALUTQOASA-N 1 3 331.504 2.854 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(CF)cc1 ZINC001493061949 1398405760 /nfs/dbraw/zinc/40/57/60/1398405760.db2.gz JQMFDKOKYLKKIE-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(CF)cc1 ZINC001493061949 1398405765 /nfs/dbraw/zinc/40/57/65/1398405765.db2.gz JQMFDKOKYLKKIE-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001493256523 1398566463 /nfs/dbraw/zinc/56/64/63/1398566463.db2.gz MSGRUAMFNZTMEO-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001493256523 1398566472 /nfs/dbraw/zinc/56/64/72/1398566472.db2.gz MSGRUAMFNZTMEO-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)C1 ZINC001493443528 1398711462 /nfs/dbraw/zinc/71/14/62/1398711462.db2.gz FYGCJTVDIRALEH-GOSISDBHSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCN(Cc2ccccc2C2CC2)C2CC2)C1 ZINC001493443528 1398711467 /nfs/dbraw/zinc/71/14/67/1398711467.db2.gz FYGCJTVDIRALEH-GOSISDBHSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001493581547 1398761577 /nfs/dbraw/zinc/76/15/77/1398761577.db2.gz XGNUYDCOASVHKM-AWEZNQCLSA-N 1 3 337.895 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001493806017 1398895435 /nfs/dbraw/zinc/89/54/35/1398895435.db2.gz DGQTXRZCAZEEIW-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCc2ccccc2)CC1)N(C)C ZINC001493837949 1398914114 /nfs/dbraw/zinc/91/41/14/1398914114.db2.gz ZIJZOBKRNNFRPS-PXNSSMCTSA-N 1 3 345.531 2.786 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001507398312 1407010071 /nfs/dbraw/zinc/01/00/71/1407010071.db2.gz IYLAIHPQSXYJLD-WBVHZDCISA-N 1 3 347.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001507398309 1407009789 /nfs/dbraw/zinc/00/97/89/1407009789.db2.gz IYLAIHPQSXYJLD-DOTOQJQBSA-N 1 3 347.478 2.685 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](CNC/C(Cl)=C\Cl)C2)CC1 ZINC001507412669 1407026021 /nfs/dbraw/zinc/02/60/21/1407026021.db2.gz XHESCZLTHHICNB-FWRQMEPDSA-N 1 3 348.318 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2C)C1 ZINC001507418182 1407032070 /nfs/dbraw/zinc/03/20/70/1407032070.db2.gz CDDROMNKWOWTIT-LPHOPBHVSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001507418477 1407032194 /nfs/dbraw/zinc/03/21/94/1407032194.db2.gz GCPMWYJSTPPLQB-DOTOQJQBSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001495002532 1399597382 /nfs/dbraw/zinc/59/73/82/1399597382.db2.gz MCJATGWEZRYKLN-MRXNPFEDSA-N 1 3 337.895 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCCc2ccccc21 ZINC001495098215 1399662840 /nfs/dbraw/zinc/66/28/40/1399662840.db2.gz YQXZBZSCHPJGBN-IEBWSBKVSA-N 1 3 331.504 2.890 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C2CCC2)CC1 ZINC001495458970 1399998286 /nfs/dbraw/zinc/99/82/86/1399998286.db2.gz XHVYYQLJLAGSSB-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001495474062 1400010379 /nfs/dbraw/zinc/01/03/79/1400010379.db2.gz FSHJLXCVFYEJFN-IYARVYRRSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001495667426 1400152602 /nfs/dbraw/zinc/15/26/02/1400152602.db2.gz QPQJCCHDFZESMX-QFBILLFUSA-N 1 3 349.494 2.871 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C1CCCCC1 ZINC001496325210 1400641259 /nfs/dbraw/zinc/64/12/59/1400641259.db2.gz HJVNPFZAMSAFNR-KJXMEXGPSA-N 1 3 346.519 2.961 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001496680901 1400916430 /nfs/dbraw/zinc/91/64/30/1400916430.db2.gz YFLHJAZYCNXTTD-PBHICJAKSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCN1C ZINC001496680901 1400916435 /nfs/dbraw/zinc/91/64/35/1400916435.db2.gz YFLHJAZYCNXTTD-PBHICJAKSA-N 1 3 337.895 2.885 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496707245 1400932538 /nfs/dbraw/zinc/93/25/38/1400932538.db2.gz MZJMODPYMLMQIX-IIDMSEBBSA-N 1 3 335.467 2.617 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496707245 1400932541 /nfs/dbraw/zinc/93/25/41/1400932541.db2.gz MZJMODPYMLMQIX-IIDMSEBBSA-N 1 3 335.467 2.617 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2CNC/C(Cl)=C\Cl)CC1 ZINC001496903851 1401091499 /nfs/dbraw/zinc/09/14/99/1401091499.db2.gz JPXPSJUATLVTRL-FWRQMEPDSA-N 1 3 348.318 2.522 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001497215182 1401224115 /nfs/dbraw/zinc/22/41/15/1401224115.db2.gz MMDPBAXOQSYSCH-MAUKXSAKSA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1Cl)N(C)C ZINC001497217693 1401225427 /nfs/dbraw/zinc/22/54/27/1401225427.db2.gz XAXRSKNXGNZEKT-BLLLJJGKSA-N 1 3 343.874 2.804 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)CC[NH+]1CCCCC1 ZINC001497992650 1401799121 /nfs/dbraw/zinc/79/91/21/1401799121.db2.gz IBCIZTGDLNMMFR-CVEARBPZSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001498119025 1401864570 /nfs/dbraw/zinc/86/45/70/1401864570.db2.gz XMQFCYVMNVXFGQ-GJZGRUSLSA-N 1 3 337.483 2.959 20 0 EFADHO CN(C)C1(C(=O)N[C@@H](C[NH2+]Cc2cccc(F)c2)C(C)(C)C)CCC1 ZINC001507952484 1407221897 /nfs/dbraw/zinc/22/18/97/1407221897.db2.gz QIUFTTMHBJRRFP-KRWDZBQOSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312339 1401998983 /nfs/dbraw/zinc/99/89/83/1401998983.db2.gz JHDLLEXPZKLYKC-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](C[N@@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)C1(N(C)C)CCC1 ZINC001498312339 1401998989 /nfs/dbraw/zinc/99/89/89/1401998989.db2.gz JHDLLEXPZKLYKC-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001498329406 1402011260 /nfs/dbraw/zinc/01/12/60/1402011260.db2.gz JNLBSVKQTFRTTP-MRXNPFEDSA-N 1 3 347.478 2.699 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001499609301 1402715013 /nfs/dbraw/zinc/71/50/13/1402715013.db2.gz DQCBHHLNJNUJQH-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001499609301 1402715023 /nfs/dbraw/zinc/71/50/23/1402715023.db2.gz DQCBHHLNJNUJQH-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC001499616100 1402720810 /nfs/dbraw/zinc/72/08/10/1402720810.db2.gz LUODYMRDWBEXNA-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC001499616100 1402720811 /nfs/dbraw/zinc/72/08/11/1402720811.db2.gz LUODYMRDWBEXNA-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001499616965 1402721283 /nfs/dbraw/zinc/72/12/83/1402721283.db2.gz VKHQYFAJJWTFSC-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001499616965 1402721285 /nfs/dbraw/zinc/72/12/85/1402721285.db2.gz VKHQYFAJJWTFSC-OAQYLSRUSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1(C)CC[NH+](CC2CC(C)C2)CC1 ZINC001500459764 1403137314 /nfs/dbraw/zinc/13/73/14/1403137314.db2.gz OJLULTLJFUWEBF-UHFFFAOYSA-N 1 3 332.492 2.525 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001501637064 1403658478 /nfs/dbraw/zinc/65/84/78/1403658478.db2.gz AWLQYPNRBUFBGL-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001508209725 1407347538 /nfs/dbraw/zinc/34/75/38/1407347538.db2.gz ZVJUOCQNGZVFOK-LJQANCHMSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001508209725 1407347543 /nfs/dbraw/zinc/34/75/43/1407347543.db2.gz ZVJUOCQNGZVFOK-LJQANCHMSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001501638438 1403660159 /nfs/dbraw/zinc/66/01/59/1403660159.db2.gz WJKXDDWPYVNCJA-AZUAARDMSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001502167410 1404064427 /nfs/dbraw/zinc/06/44/27/1404064427.db2.gz YHPPXQSRVDDSLS-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001502167410 1404064434 /nfs/dbraw/zinc/06/44/34/1404064434.db2.gz YHPPXQSRVDDSLS-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834986 1404391595 /nfs/dbraw/zinc/39/15/95/1404391595.db2.gz UGMQMMVZSKZWBL-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C(C)(C)C1 ZINC001502834986 1404391599 /nfs/dbraw/zinc/39/15/99/1404391599.db2.gz UGMQMMVZSKZWBL-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C(C)(C)C2)C1 ZINC001502829217 1404380201 /nfs/dbraw/zinc/38/02/01/1404380201.db2.gz QEZDIRIZXSVWNT-JCYILVPMSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C(C)(C)C2)C1 ZINC001502829217 1404380209 /nfs/dbraw/zinc/38/02/09/1404380209.db2.gz QEZDIRIZXSVWNT-JCYILVPMSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001502936439 1404437623 /nfs/dbraw/zinc/43/76/23/1404437623.db2.gz YLOSPTQSBRYWKI-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C)c1 ZINC001502936439 1404437626 /nfs/dbraw/zinc/43/76/26/1404437626.db2.gz YLOSPTQSBRYWKI-HKUYNNGSSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCc2ccccc2[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001503690535 1404499461 /nfs/dbraw/zinc/49/94/61/1404499461.db2.gz GYQHGSSHJGZTQV-FQEVSTJZSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC001505935271 1405246083 /nfs/dbraw/zinc/24/60/83/1405246083.db2.gz DOWNTMVVLDKZEF-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001505935271 1405246089 /nfs/dbraw/zinc/24/60/89/1405246089.db2.gz DOWNTMVVLDKZEF-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936169 1405247880 /nfs/dbraw/zinc/24/78/80/1405247880.db2.gz WFBGCJNYTWZZCD-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CN(C)C2CCC2)c1 ZINC001505936169 1405247883 /nfs/dbraw/zinc/24/78/83/1405247883.db2.gz WFBGCJNYTWZZCD-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001505935984 1405248262 /nfs/dbraw/zinc/24/82/62/1405248262.db2.gz SCYCWDHCPNOVRY-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001505935984 1405248275 /nfs/dbraw/zinc/24/82/75/1405248275.db2.gz SCYCWDHCPNOVRY-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1ccc(Cl)cc1 ZINC001505989278 1405312735 /nfs/dbraw/zinc/31/27/35/1405312735.db2.gz SDTOTEDULWTHLJ-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(C[NH+]2CC([C@H](C)NC(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC001506625082 1406058479 /nfs/dbraw/zinc/05/84/79/1406058479.db2.gz AZBVJMUUUINCMP-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NCc1ccc([C@@H]3C[C@@H]3C)o1)[C@@H](O)C2 ZINC001550668856 1413692862 /nfs/dbraw/zinc/69/28/62/1413692862.db2.gz WGIUFUJYBBKAGJ-CRAFSFBBSA-N 1 3 332.488 2.972 20 0 EFADHO CC(C)[C@@H]1[NH+](C)C[C@@]12C[C@@H](NCc1ccc([C@H]3C[C@H]3C)o1)[C@@H](O)C2 ZINC001550668874 1413693128 /nfs/dbraw/zinc/69/31/28/1413693128.db2.gz WGIUFUJYBBKAGJ-MCYDHMDPSA-N 1 3 332.488 2.972 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1Cn1cc(CN[C@@H]2CCCC23CCCCC3)nn1 ZINC001550906728 1413797091 /nfs/dbraw/zinc/79/70/91/1413797091.db2.gz QOAZAKVWBYDQEE-KBAYOESNSA-N 1 3 331.508 2.998 20 0 EFADHO CCOc1cncc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551238247 1413970040 /nfs/dbraw/zinc/97/00/40/1413970040.db2.gz COELODVICYBXEH-UHFFFAOYSA-N 1 3 333.476 2.603 20 0 EFADHO Cc1ncc([C@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)c(C)n1 ZINC001551238364 1413970080 /nfs/dbraw/zinc/97/00/80/1413970080.db2.gz JPVLFBSGYPDTAW-DMKPSLHHSA-N 1 3 332.492 2.778 20 0 EFADHO CC(=O)Nc1cccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c1 ZINC001551238337 1413970110 /nfs/dbraw/zinc/97/01/10/1413970110.db2.gz HOIYYFWXMMKHET-UHFFFAOYSA-N 1 3 345.487 2.768 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC001551237528 1413970127 /nfs/dbraw/zinc/97/01/27/1413970127.db2.gz RGKJNOGSPFBIPF-UHFFFAOYSA-N 1 3 328.460 2.686 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC001551238739 1413970633 /nfs/dbraw/zinc/97/06/33/1413970633.db2.gz YPYYYVUBCQELFJ-ZPTVKNSZSA-N 1 3 336.520 2.815 20 0 EFADHO c1cc(CN2CC[C@]3(C2)COCCO3)cc(C[NH+]2CCCCC2)c1 ZINC001551384613 1414053280 /nfs/dbraw/zinc/05/32/80/1414053280.db2.gz YOBMHRWXFXUUMP-FQEVSTJZSA-N 1 3 330.472 2.664 20 0 EFADHO [NH3+][C@H]1CC12CCC(NC(=O)N1CCN(CC3CCCCC3)CC1)CC2 ZINC001551570692 1414127995 /nfs/dbraw/zinc/12/79/95/1414127995.db2.gz RMCJBLPKMQAFRX-FDYSRKEFSA-N 1 3 348.535 2.554 20 0 EFADHO CC1CCC(N2CCN(C(=O)NC3CCC4(C[C@H]4[NH3+])CC3)CC2)CC1 ZINC001551579947 1414131160 /nfs/dbraw/zinc/13/11/60/1414131160.db2.gz KCHOXVQHFMIKMG-ZCYBBYNQSA-N 1 3 348.535 2.552 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CCCC[NH2+]C3)c2)CC1 ZINC001552425382 1414452734 /nfs/dbraw/zinc/45/27/34/1414452734.db2.gz MNHSNZRFKNAQOO-QGZVFWFLSA-N 1 3 344.503 2.545 20 0 EFADHO CCn1cc([C@@H]2OCC[C@@H]2CN2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC001552524794 1414478851 /nfs/dbraw/zinc/47/88/51/1414478851.db2.gz KXTGKWAGQBSIGH-MISYRCLQSA-N 1 3 346.519 2.931 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC001552528975 1414481041 /nfs/dbraw/zinc/48/10/41/1414481041.db2.gz XNJBKTMGSSXXQR-QWFCFKBJSA-N 1 3 346.519 2.788 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001552831582 1414577816 /nfs/dbraw/zinc/57/78/16/1414577816.db2.gz SOBUBRRHUKJAMA-TZIWHRDSSA-N 1 3 341.499 2.562 20 0 EFADHO C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)c1nnc2ncccn21 ZINC001552929539 1414607960 /nfs/dbraw/zinc/60/79/60/1414607960.db2.gz CWVDQLIMQJYQLV-SYJJWHGVSA-N 1 3 328.464 2.572 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC001553024094 1414648533 /nfs/dbraw/zinc/64/85/33/1414648533.db2.gz JDXKBMVHNZORFQ-VVJOJPPRSA-N 1 3 329.488 2.578 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001553024362 1414648656 /nfs/dbraw/zinc/64/86/56/1414648656.db2.gz ZNOULFTZEUSQKZ-KFWWJZLASA-N 1 3 333.442 2.627 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)N(C)C)cc1 ZINC001553444675 1414815711 /nfs/dbraw/zinc/81/57/11/1414815711.db2.gz XVEAHBAEKRQHLJ-AZUAARDMSA-N 1 3 344.503 2.525 20 0 EFADHO C[NH2+][C@H](C)CCN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC001645848654 1416573160 /nfs/dbraw/zinc/57/31/60/1416573160.db2.gz FXKDCJCJAXOCNP-ZIAGYGMSSA-N 1 3 325.884 2.665 20 0 EFADHO C[NH2+][C@@H](C)CCN[C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC001645848649 1416573235 /nfs/dbraw/zinc/57/32/35/1416573235.db2.gz FXKDCJCJAXOCNP-KBPBESRZSA-N 1 3 325.884 2.665 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4CCC3CC4)CC2)CC1 ZINC001645916147 1416584304 /nfs/dbraw/zinc/58/43/04/1416584304.db2.gz XVGCTIQQOAUFSD-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ncccc1CNCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000105495400 1416792823 /nfs/dbraw/zinc/79/28/23/1416792823.db2.gz LBXBUDKGOLDYJS-UHFFFAOYSA-N 1 3 325.456 2.637 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCc2cccs2)C1 ZINC001690479386 1417216652 /nfs/dbraw/zinc/21/66/52/1417216652.db2.gz FWGIEDPSHPHMRW-DLBZAZTESA-N 1 3 349.544 2.603 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000133933667 1417299520 /nfs/dbraw/zinc/29/95/20/1417299520.db2.gz GDZWJYFUQGOWSO-AWEZNQCLSA-N 1 3 327.875 2.842 20 0 EFADHO Fc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ncccc12 ZINC000152052082 1418247660 /nfs/dbraw/zinc/24/76/60/1418247660.db2.gz MBVODAQYZINIBR-OAHLLOKOSA-N 1 3 343.446 2.964 20 0 EFADHO c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000236716691 1418337717 /nfs/dbraw/zinc/33/77/17/1418337717.db2.gz SASPAXSCBRWVLB-FXAWDEMLSA-N 1 3 330.472 2.818 20 0 EFADHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000237122999 1418525801 /nfs/dbraw/zinc/52/58/01/1418525801.db2.gz GUBQGYHABJRWPR-UHFFFAOYSA-N 1 3 328.460 2.586 20 0 EFADHO COCC[NH+]1CCC(NCc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000237122133 1418526000 /nfs/dbraw/zinc/52/60/00/1418526000.db2.gz GNRYJYUDADLUGT-UHFFFAOYSA-N 1 3 328.460 2.586 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001716189171 1418718782 /nfs/dbraw/zinc/71/87/82/1418718782.db2.gz UVCNWCYXTOUMKR-MAUKXSAKSA-N 1 3 337.483 2.705 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001724749875 1424979299 /nfs/dbraw/zinc/97/92/99/1424979299.db2.gz CLVJVLNNPZNNMM-SSUXSPMGSA-N 1 3 329.916 2.590 20 0 EFADHO CN(CCNCc1ccc(Cl)s1)C(=O)CC[NH+]1CCCCC1 ZINC001753265571 1426335754 /nfs/dbraw/zinc/33/57/54/1426335754.db2.gz GFIDSZWWINDBAC-UHFFFAOYSA-N 1 3 343.924 2.826 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144333 712933504 /nfs/dbraw/zinc/93/35/04/712933504.db2.gz JTLNQJIJLJCBIC-SJORKVTESA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144333 712933505 /nfs/dbraw/zinc/93/35/05/712933505.db2.gz JTLNQJIJLJCBIC-SJORKVTESA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000969652020 713204741 /nfs/dbraw/zinc/20/47/41/713204741.db2.gz CWWLDZXNVSFJRZ-PXNSSMCTSA-N 1 3 343.515 2.538 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC000969660220 713208624 /nfs/dbraw/zinc/20/86/24/713208624.db2.gz OQVINWCJQCAJKT-YLJYHZDGSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000969660220 713208627 /nfs/dbraw/zinc/20/86/27/713208627.db2.gz OQVINWCJQCAJKT-YLJYHZDGSA-N 1 3 343.515 2.804 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969794500 713262837 /nfs/dbraw/zinc/26/28/37/713262837.db2.gz WHWCOFFSUQHBHW-YJBOKZPZSA-N 1 3 335.536 2.734 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969793480 713264053 /nfs/dbraw/zinc/26/40/53/713264053.db2.gz PMBXTXMGYDVHRF-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969793478 713264149 /nfs/dbraw/zinc/26/41/49/713264149.db2.gz PMBXTXMGYDVHRF-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969794077 713264224 /nfs/dbraw/zinc/26/42/24/713264224.db2.gz UTEDGTNSFJYHLS-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC2CCC2)C1 ZINC000969794080 713264334 /nfs/dbraw/zinc/26/43/34/713264334.db2.gz UTEDGTNSFJYHLS-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC001020586049 713265437 /nfs/dbraw/zinc/26/54/37/713265437.db2.gz CRXDLKAOXCIPKD-DACLVMHWSA-N 1 3 333.451 2.608 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586371 713265534 /nfs/dbraw/zinc/26/55/34/713265534.db2.gz MWQXXDPVDCUNTQ-XSLAGTTESA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001020586237 713265942 /nfs/dbraw/zinc/26/59/42/713265942.db2.gz IWFZPGNFKQEAAH-SNRMKQJTSA-N 1 3 341.499 2.785 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001020587419 713266466 /nfs/dbraw/zinc/26/64/66/713266466.db2.gz FMFYAOLNJHSMQD-VDGAXYAQSA-N 1 3 343.515 2.513 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001020587820 713266634 /nfs/dbraw/zinc/26/66/34/713266634.db2.gz WADYIUQKPVELDP-AXUOBQJMSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001020587599 713266668 /nfs/dbraw/zinc/26/66/68/713266668.db2.gz MRQBDZANWJJEAI-UIXUWTQFSA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cc4ccccc4o3)C2)C1 ZINC001020588681 713267046 /nfs/dbraw/zinc/26/70/46/713267046.db2.gz JHUBWLAXENKMBP-DJIMGWMZSA-N 1 3 341.455 2.511 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020586578 713267401 /nfs/dbraw/zinc/26/74/01/713267401.db2.gz RQXVWUOVZARKTQ-JYJNAYRXSA-N 1 3 349.906 2.870 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001020586800 713267572 /nfs/dbraw/zinc/26/75/72/713267572.db2.gz ZKMAUWCYJYYZDG-WBAXXEDZSA-N 1 3 349.906 2.604 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(Cl)c1 ZINC001020586835 713267904 /nfs/dbraw/zinc/26/79/04/713267904.db2.gz ZZOFGJGVIIBFBF-XIRDDKMYSA-N 1 3 349.906 2.870 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001020590414 713267998 /nfs/dbraw/zinc/26/79/98/713267998.db2.gz VNQLQLMAVLOLCH-QZHFEQFPSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1F ZINC001020591035 713268605 /nfs/dbraw/zinc/26/86/05/713268605.db2.gz BMNYTRPGJZKBRR-QAQDUYKDSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001020590045 713268700 /nfs/dbraw/zinc/26/87/00/713268700.db2.gz KXAGDLXOQLFRHJ-NBMJBFSESA-N 1 3 329.488 2.635 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001020589901 713268712 /nfs/dbraw/zinc/26/87/12/713268712.db2.gz HIKQXLKXVMESIF-WNHJNPCNSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCc4ccccc43)C2)C1 ZINC001020589999 713268744 /nfs/dbraw/zinc/26/87/44/713268744.db2.gz JRIKPKBTELGQLB-UIXUWTQFSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020592309 713269478 /nfs/dbraw/zinc/26/94/78/713269478.db2.gz BONXDJTUKVUTAE-KCYZZUKISA-N 1 3 349.906 2.583 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001020592309 713269479 /nfs/dbraw/zinc/26/94/79/713269479.db2.gz BONXDJTUKVUTAE-KCYZZUKISA-N 1 3 349.906 2.583 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001020591108 713269746 /nfs/dbraw/zinc/26/97/46/713269746.db2.gz DWBBBLDKMWHHAJ-QAQDUYKDSA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC000969844079 713279346 /nfs/dbraw/zinc/27/93/46/713279346.db2.gz DSRBNCCZDUKXLO-HDMKZQKVSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1)N(C)C ZINC000969845935 713280640 /nfs/dbraw/zinc/28/06/40/713280640.db2.gz MTTIKXBZYBRWHR-ARFHVFGLSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000969844789 713281274 /nfs/dbraw/zinc/28/12/74/713281274.db2.gz PHHPRHGGLNJTAS-UYAOXDASSA-N 1 3 345.531 2.889 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969948891 713321207 /nfs/dbraw/zinc/32/12/07/713321207.db2.gz MNDMHLXFTJHUKO-PKOBYXMFSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC000969954219 713321345 /nfs/dbraw/zinc/32/13/45/713321345.db2.gz CBQGYEPHKJHVDE-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969954417 713321565 /nfs/dbraw/zinc/32/15/65/713321565.db2.gz CSPRXUMIDXQITO-KBXCAEBGSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2sccc2Cl)C1 ZINC000969952768 713322546 /nfs/dbraw/zinc/32/25/46/713322546.db2.gz YSTKXOPWCIUPQM-QWHCGFSZSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2sccc2Cl)C1 ZINC000969952768 713322547 /nfs/dbraw/zinc/32/25/47/713322547.db2.gz YSTKXOPWCIUPQM-QWHCGFSZSA-N 1 3 341.908 2.576 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000969955730 713323743 /nfs/dbraw/zinc/32/37/43/713323743.db2.gz SDAKAOXTWLFHMI-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000969965732 713324980 /nfs/dbraw/zinc/32/49/80/713324980.db2.gz VRQPZKIFWBLKLP-QGZVFWFLSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC000969961742 713325502 /nfs/dbraw/zinc/32/55/02/713325502.db2.gz IKRASQRDNHJPFV-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1C ZINC000969965866 713327757 /nfs/dbraw/zinc/32/77/57/713327757.db2.gz ZUIORNSKGLPKKP-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000969968154 713328740 /nfs/dbraw/zinc/32/87/40/713328740.db2.gz OXUUEOFMPZMOHI-GOSISDBHSA-N 1 3 347.547 2.879 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000969985393 713334276 /nfs/dbraw/zinc/33/42/76/713334276.db2.gz GJBPFUSWDXHLJD-MOPGFXCFSA-N 1 3 331.504 2.670 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC000969986051 713334607 /nfs/dbraw/zinc/33/46/07/713334607.db2.gz QDIGSVKPEJICGD-QRQLOZEOSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1)N(C)C ZINC000969986077 713334705 /nfs/dbraw/zinc/33/47/05/713334705.db2.gz QZFXICTTYYLAQQ-NJAFHUGGSA-N 1 3 349.906 2.858 20 0 EFADHO CCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC000969986290 713334880 /nfs/dbraw/zinc/33/48/80/713334880.db2.gz VIMMIDMJPXGYSU-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC000970049479 713359843 /nfs/dbraw/zinc/35/98/43/713359843.db2.gz ZSCSHWZAIMECGJ-KRWDZBQOSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN(CC2=CCCCC2)C1 ZINC000970052846 713362247 /nfs/dbraw/zinc/36/22/47/713362247.db2.gz ZFSPCBACUYMUQB-MRXNPFEDSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC000970103956 713399160 /nfs/dbraw/zinc/39/91/60/713399160.db2.gz VYVRYAZJZPRJJJ-CQSZACIVSA-N 1 3 340.452 2.558 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC000970105789 713403286 /nfs/dbraw/zinc/40/32/86/713403286.db2.gz SSVUTMLUDOSSSH-LJQANCHMSA-N 1 3 348.450 2.539 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001027893728 717897983 /nfs/dbraw/zinc/89/79/83/717897983.db2.gz DCVZXQXXAHYTSD-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001027893728 717897987 /nfs/dbraw/zinc/89/79/87/717897987.db2.gz DCVZXQXXAHYTSD-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020927712 713441971 /nfs/dbraw/zinc/44/19/71/713441971.db2.gz OYZFFLQWWFATHO-VDHUWJSZSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001020981863 713466733 /nfs/dbraw/zinc/46/67/33/713466733.db2.gz QEZFIZQMKRZQDI-JFIYKMOQSA-N 1 3 338.455 2.575 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000970178137 713509754 /nfs/dbraw/zinc/50/97/54/713509754.db2.gz MKZJJCFXDBMARJ-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001021088411 713561082 /nfs/dbraw/zinc/56/10/82/713561082.db2.gz PPBCWKWKZWGHFX-PSBWJHGTSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001021088412 713561166 /nfs/dbraw/zinc/56/11/66/713561166.db2.gz PPBCWKWKZWGHFX-YOQCTACHSA-N 1 3 329.488 2.605 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001021090103 713562449 /nfs/dbraw/zinc/56/24/49/713562449.db2.gz FBPQLMPMYVRWOV-YOQCTACHSA-N 1 3 333.520 2.987 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001021090096 713562623 /nfs/dbraw/zinc/56/26/23/713562623.db2.gz FBPQLMPMYVRWOV-PSBWJHGTSA-N 1 3 333.520 2.987 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001021094060 713563863 /nfs/dbraw/zinc/56/38/63/713563863.db2.gz KRQWBTUAGGPITQ-UFYCRDLUSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001021093996 713564016 /nfs/dbraw/zinc/56/40/16/713564016.db2.gz JMJXCVYYFNDZOO-AXUOBQJMSA-N 1 3 347.478 2.998 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001021093778 713564136 /nfs/dbraw/zinc/56/41/36/713564136.db2.gz HXPBMJFZPUXCTF-QAQDUYKDSA-N 1 3 343.496 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001021094191 713564483 /nfs/dbraw/zinc/56/44/83/713564483.db2.gz MUTZYCXEYJHVSZ-UDTPNQRGSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001021096399 713574988 /nfs/dbraw/zinc/57/49/88/713574988.db2.gz QXAQSIAMKWJTKV-VAMGGRTRSA-N 1 3 343.515 2.649 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001021096200 713575098 /nfs/dbraw/zinc/57/50/98/713575098.db2.gz IZSDMNVSUJRILY-UFYCRDLUSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001021096776 713575642 /nfs/dbraw/zinc/57/56/42/713575642.db2.gz YDAMOSOOMHJNAW-ULQDDVLXSA-N 1 3 335.517 2.668 20 0 EFADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CN(CC2=CCCCC2)C1 ZINC000970327121 713636714 /nfs/dbraw/zinc/63/67/14/713636714.db2.gz ZOUVQQJWQPXBTM-BQFCYCMXSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CN(CC2=CCCCC2)C1 ZINC000970327121 713636716 /nfs/dbraw/zinc/63/67/16/713636716.db2.gz ZOUVQQJWQPXBTM-BQFCYCMXSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000970334294 713643593 /nfs/dbraw/zinc/64/35/93/713643593.db2.gz GMPZLFQLNBDTAL-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC000970366966 713667186 /nfs/dbraw/zinc/66/71/86/713667186.db2.gz OMLTYJIIVRVMPH-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173427 713706485 /nfs/dbraw/zinc/70/64/85/713706485.db2.gz WJFCOCCUCNFKLC-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001039173427 713706487 /nfs/dbraw/zinc/70/64/87/713706487.db2.gz WJFCOCCUCNFKLC-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530425 713781117 /nfs/dbraw/zinc/78/11/17/713781117.db2.gz ZMUBKKAEHINXJM-YLJYHZDGSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970530425 713781118 /nfs/dbraw/zinc/78/11/18/713781118.db2.gz ZMUBKKAEHINXJM-YLJYHZDGSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl)[NH+]1CCCC1 ZINC001021343479 713814891 /nfs/dbraw/zinc/81/48/91/713814891.db2.gz MOHWIGLRMIDJPU-YTIAIPRVSA-N 1 3 339.911 2.725 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)C1 ZINC001021380621 713852406 /nfs/dbraw/zinc/85/24/06/713852406.db2.gz NIEHYIFFARRVMG-MIGBEJBISA-N 1 3 347.528 2.702 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)C1 ZINC001021380621 713852409 /nfs/dbraw/zinc/85/24/09/713852409.db2.gz NIEHYIFFARRVMG-MIGBEJBISA-N 1 3 347.528 2.702 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000970716880 713930728 /nfs/dbraw/zinc/93/07/28/713930728.db2.gz HQUPAGKPDKOALX-HXUWFJFHSA-N 1 3 337.467 2.626 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000970718407 713932208 /nfs/dbraw/zinc/93/22/08/713932208.db2.gz UJGOBJQZCFCOIO-HXUWFJFHSA-N 1 3 341.499 2.740 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC001039211428 713979456 /nfs/dbraw/zinc/97/94/56/713979456.db2.gz APSAOFUNKXBPEF-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001039211428 713979460 /nfs/dbraw/zinc/97/94/60/713979460.db2.gz APSAOFUNKXBPEF-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000970795323 714000574 /nfs/dbraw/zinc/00/05/74/714000574.db2.gz CUOMQUXEFRXDCK-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000970800490 714009004 /nfs/dbraw/zinc/00/90/04/714009004.db2.gz QDVFIKVTOZEXSF-MSOLQXFVSA-N 1 3 349.906 2.905 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980227871 717945524 /nfs/dbraw/zinc/94/55/24/717945524.db2.gz DWYMWAVEEYSKMJ-OKZBNKHCSA-N 1 3 346.519 2.914 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@H]2C1 ZINC000980227871 717945531 /nfs/dbraw/zinc/94/55/31/717945531.db2.gz DWYMWAVEEYSKMJ-OKZBNKHCSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C1 ZINC000980228438 717946450 /nfs/dbraw/zinc/94/64/50/717946450.db2.gz FVVFOUNTROVSEX-BRWVUGGUSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(C)C)C[C@H]2C1 ZINC000980228438 717946455 /nfs/dbraw/zinc/94/64/55/717946455.db2.gz FVVFOUNTROVSEX-BRWVUGGUSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000980229039 717947405 /nfs/dbraw/zinc/94/74/05/717947405.db2.gz HVAYFKYYXKQNOW-IXDOHACOSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC000980229039 717947407 /nfs/dbraw/zinc/94/74/07/717947407.db2.gz HVAYFKYYXKQNOW-IXDOHACOSA-N 1 3 346.519 2.914 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC[C@H](C)F)C1 ZINC000970915681 714130483 /nfs/dbraw/zinc/13/04/83/714130483.db2.gz GZWXMQSGZIHDJP-LSDHHAIUSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CC(C)C2)C1 ZINC000970926764 714140476 /nfs/dbraw/zinc/14/04/76/714140476.db2.gz BTEDAQMAXGECBO-CGZBRXJRSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CC2CCC2)C1 ZINC000970926772 714140904 /nfs/dbraw/zinc/14/09/04/714140904.db2.gz BUZROFMAMFOACW-HNNXBMFYSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1 ZINC000970926751 714142520 /nfs/dbraw/zinc/14/25/20/714142520.db2.gz BQVJHUPNIVKEPZ-VQIMIIECSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H](NC(=O)c1ccccc1CN(C)C)C1C[NH+](CCC2CC2)C1 ZINC000970928111 714143391 /nfs/dbraw/zinc/14/33/91/714143391.db2.gz IZUMMFAGQVZSRE-HNNXBMFYSA-N 1 3 329.488 2.598 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC000970928819 714143820 /nfs/dbraw/zinc/14/38/20/714143820.db2.gz MJYNHKDGORUHGI-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970929402 714145763 /nfs/dbraw/zinc/14/57/63/714145763.db2.gz QVCZYFLYSIXUMC-HZPDHXFCSA-N 1 3 331.504 2.844 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@H+](CC3CCC3)CC[C@H]21)C1CCC1 ZINC001021605047 714164115 /nfs/dbraw/zinc/16/41/15/714164115.db2.gz JFTBKRWBGNQTCH-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]2C[N@@H+](CC3CCC3)CC[C@H]21)C1CCC1 ZINC001021605047 714164116 /nfs/dbraw/zinc/16/41/16/714164116.db2.gz JFTBKRWBGNQTCH-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@H+](CCC3CC3)CC[C@@H]21)C1CCC1 ZINC001021606451 714166009 /nfs/dbraw/zinc/16/60/09/714166009.db2.gz QEPSRECSEWRLJP-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21)C1CCC1 ZINC001021606451 714166012 /nfs/dbraw/zinc/16/60/12/714166012.db2.gz QEPSRECSEWRLJP-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679141 714289399 /nfs/dbraw/zinc/28/93/99/714289399.db2.gz MEJABHLDLPPBRZ-RDJZCZTQSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679141 714289402 /nfs/dbraw/zinc/28/94/02/714289402.db2.gz MEJABHLDLPPBRZ-RDJZCZTQSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679139 714289411 /nfs/dbraw/zinc/28/94/11/714289411.db2.gz MEJABHLDLPPBRZ-DOTOQJQBSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001021679139 714289413 /nfs/dbraw/zinc/28/94/13/714289413.db2.gz MEJABHLDLPPBRZ-DOTOQJQBSA-N 1 3 332.492 2.701 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679063 714289543 /nfs/dbraw/zinc/28/95/43/714289543.db2.gz LNPPKMFPYGZOJC-FUHWJXTLSA-N 1 3 344.503 2.701 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C(=O)Cc3c[nH]cn3)C2)C1 ZINC001021679063 714289546 /nfs/dbraw/zinc/28/95/46/714289546.db2.gz LNPPKMFPYGZOJC-FUHWJXTLSA-N 1 3 344.503 2.701 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@H]21 ZINC001021679392 714290438 /nfs/dbraw/zinc/29/04/38/714290438.db2.gz NTUWMHVZIYJHRF-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@H]21 ZINC001021679392 714290440 /nfs/dbraw/zinc/29/04/40/714290440.db2.gz NTUWMHVZIYJHRF-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(CC)[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000891349851 714437889 /nfs/dbraw/zinc/43/78/89/714437889.db2.gz XCSWKLXATKMSKK-HOTGVXAUSA-N 1 3 338.521 2.524 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200562 714460625 /nfs/dbraw/zinc/46/06/25/714460625.db2.gz HQQVXXZVNSRGTG-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200562 714460627 /nfs/dbraw/zinc/46/06/27/714460627.db2.gz HQQVXXZVNSRGTG-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC000971200153 714460765 /nfs/dbraw/zinc/46/07/65/714460765.db2.gz DRZHUVPUIGBKCF-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC000971200153 714460768 /nfs/dbraw/zinc/46/07/68/714460768.db2.gz DRZHUVPUIGBKCF-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2Cl)C1 ZINC000971202486 714462663 /nfs/dbraw/zinc/46/26/63/714462663.db2.gz XOOSDXFCATZTBL-FUHWJXTLSA-N 1 3 349.906 2.509 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2Cl)C1 ZINC000971202486 714462664 /nfs/dbraw/zinc/46/26/64/714462664.db2.gz XOOSDXFCATZTBL-FUHWJXTLSA-N 1 3 349.906 2.509 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC000980254957 717985446 /nfs/dbraw/zinc/98/54/46/717985446.db2.gz OIQIRZJYJFZMMF-BPQIPLTHSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC000980254957 717985452 /nfs/dbraw/zinc/98/54/52/717985452.db2.gz OIQIRZJYJFZMMF-BPQIPLTHSA-N 1 3 347.478 2.548 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980255860 717985895 /nfs/dbraw/zinc/98/58/95/717985895.db2.gz PXTCRFOAOLRPOP-SZMVWBNQSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980255860 717985898 /nfs/dbraw/zinc/98/58/98/717985898.db2.gz PXTCRFOAOLRPOP-SZMVWBNQSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980255857 717986312 /nfs/dbraw/zinc/98/63/12/717986312.db2.gz PXTCRFOAOLRPOP-CGTJXYLNSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980255857 717986318 /nfs/dbraw/zinc/98/63/18/717986318.db2.gz PXTCRFOAOLRPOP-CGTJXYLNSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000891411896 714632456 /nfs/dbraw/zinc/63/24/56/714632456.db2.gz RQDUQNLNGGALCV-PSBWJHGTSA-N 1 3 344.503 2.639 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC000971566588 714710370 /nfs/dbraw/zinc/71/03/70/714710370.db2.gz HACBJPMFJURSCC-GBESFXJTSA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC000971566588 714710371 /nfs/dbraw/zinc/71/03/71/714710371.db2.gz HACBJPMFJURSCC-GBESFXJTSA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000971568143 714711287 /nfs/dbraw/zinc/71/12/87/714711287.db2.gz WGYNHFJZIIMHEW-CEXWTWQISA-N 1 3 347.478 2.589 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000971568143 714711289 /nfs/dbraw/zinc/71/12/89/714711289.db2.gz WGYNHFJZIIMHEW-CEXWTWQISA-N 1 3 347.478 2.589 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001022069882 714721090 /nfs/dbraw/zinc/72/10/90/714721090.db2.gz OGNOYPJIHDGSRP-KSZLIROESA-N 1 3 333.520 2.676 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000971641052 714796780 /nfs/dbraw/zinc/79/67/80/714796780.db2.gz KZFQNJRRUBVICJ-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2csc(C)c2)C1 ZINC000971641052 714796783 /nfs/dbraw/zinc/79/67/83/714796783.db2.gz KZFQNJRRUBVICJ-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022195197 714861459 /nfs/dbraw/zinc/86/14/59/714861459.db2.gz AQCVQYQIMWCWGV-OKZBNKHCSA-N 1 3 347.478 2.540 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022195197 714861460 /nfs/dbraw/zinc/86/14/60/714861460.db2.gz AQCVQYQIMWCWGV-OKZBNKHCSA-N 1 3 347.478 2.540 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675138 714870941 /nfs/dbraw/zinc/87/09/41/714870941.db2.gz XRDXMGFKGYLBLY-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675138 714870945 /nfs/dbraw/zinc/87/09/45/714870945.db2.gz XRDXMGFKGYLBLY-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC000971673225 714872259 /nfs/dbraw/zinc/87/22/59/714872259.db2.gz DFRJSOOJFYGZTH-QGZVFWFLSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC000971673225 714872260 /nfs/dbraw/zinc/87/22/60/714872260.db2.gz DFRJSOOJFYGZTH-QGZVFWFLSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000971673580 714872649 /nfs/dbraw/zinc/87/26/49/714872649.db2.gz HXPDDXPXBWXIMH-KRWDZBQOSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000971673580 714872650 /nfs/dbraw/zinc/87/26/50/714872650.db2.gz HXPDDXPXBWXIMH-KRWDZBQOSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000971673597 714872744 /nfs/dbraw/zinc/87/27/44/714872744.db2.gz ILQSHAZAXYNBHC-KRWDZBQOSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000971673597 714872746 /nfs/dbraw/zinc/87/27/46/714872746.db2.gz ILQSHAZAXYNBHC-KRWDZBQOSA-N 1 3 349.544 2.882 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)CCC1 ZINC000971674019 714873157 /nfs/dbraw/zinc/87/31/57/714873157.db2.gz MODVPSXGGIBRCJ-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)CCC1 ZINC000971674019 714873159 /nfs/dbraw/zinc/87/31/59/714873159.db2.gz MODVPSXGGIBRCJ-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675587 714875935 /nfs/dbraw/zinc/87/59/35/714875935.db2.gz ZKQTYGZEEZNPGD-SJLPKXTDSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675587 714875938 /nfs/dbraw/zinc/87/59/38/714875938.db2.gz ZKQTYGZEEZNPGD-SJLPKXTDSA-N 1 3 329.488 2.765 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCc4ccccc43)C2)CCC1 ZINC000971679022 714876535 /nfs/dbraw/zinc/87/65/35/714876535.db2.gz PSJHWZQLXWXJLG-MJGOQNOKSA-N 1 3 341.499 2.691 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCc4ccccc43)C2)CCC1 ZINC000971679022 714876539 /nfs/dbraw/zinc/87/65/39/714876539.db2.gz PSJHWZQLXWXJLG-MJGOQNOKSA-N 1 3 341.499 2.691 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681883 714880320 /nfs/dbraw/zinc/88/03/20/714880320.db2.gz DXNQRQFYYMGSDU-RTBURBONSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681883 714880323 /nfs/dbraw/zinc/88/03/23/714880323.db2.gz DXNQRQFYYMGSDU-RTBURBONSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971688559 714883494 /nfs/dbraw/zinc/88/34/94/714883494.db2.gz XOTJKPWQSFSDAH-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000971688559 714883496 /nfs/dbraw/zinc/88/34/96/714883496.db2.gz XOTJKPWQSFSDAH-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000971688218 714883511 /nfs/dbraw/zinc/88/35/11/714883511.db2.gz UERSMQNTOWXOSR-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000971688218 714883513 /nfs/dbraw/zinc/88/35/13/714883513.db2.gz UERSMQNTOWXOSR-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685685 714884881 /nfs/dbraw/zinc/88/48/81/714884881.db2.gz NMRUGUBLVMOOIS-ROUUACIJSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685685 714884882 /nfs/dbraw/zinc/88/48/82/714884882.db2.gz NMRUGUBLVMOOIS-ROUUACIJSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685435 714885042 /nfs/dbraw/zinc/88/50/42/714885042.db2.gz MDTJQJROINFIOD-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CC1 ZINC000971685435 714885045 /nfs/dbraw/zinc/88/50/45/714885045.db2.gz MDTJQJROINFIOD-RBUKOAKNSA-N 1 3 333.520 2.750 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1F ZINC000971685705 714885132 /nfs/dbraw/zinc/88/51/32/714885132.db2.gz OEVAQAASERTNJN-MJGOQNOKSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686668 714886387 /nfs/dbraw/zinc/88/63/87/714886387.db2.gz DHNSLOKJEUGJLN-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686668 714886391 /nfs/dbraw/zinc/88/63/91/714886391.db2.gz DHNSLOKJEUGJLN-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971687381 714886993 /nfs/dbraw/zinc/88/69/93/714886993.db2.gz YSGAQVJKPNNYFZ-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC000971687381 714886994 /nfs/dbraw/zinc/88/69/94/714886994.db2.gz YSGAQVJKPNNYFZ-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687127 714887023 /nfs/dbraw/zinc/88/70/23/714887023.db2.gz JXOOFVVEXFBFNQ-QFBILLFUSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687127 714887026 /nfs/dbraw/zinc/88/70/26/714887026.db2.gz JXOOFVVEXFBFNQ-QFBILLFUSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971734870 714921223 /nfs/dbraw/zinc/92/12/23/714921223.db2.gz HSEOXQCWWVYBIX-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC000971734870 714921225 /nfs/dbraw/zinc/92/12/25/714921225.db2.gz HSEOXQCWWVYBIX-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000971735919 714924068 /nfs/dbraw/zinc/92/40/68/714924068.db2.gz OSQYMLLSXJMTHN-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000971735919 714924070 /nfs/dbraw/zinc/92/40/70/714924070.db2.gz OSQYMLLSXJMTHN-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000971777967 714956590 /nfs/dbraw/zinc/95/65/90/714956590.db2.gz IXSDUQBXFUNVCD-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000971777967 714956592 /nfs/dbraw/zinc/95/65/92/714956592.db2.gz IXSDUQBXFUNVCD-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000971777968 714956712 /nfs/dbraw/zinc/95/67/12/714956712.db2.gz IXSDUQBXFUNVCD-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1)N(C)C ZINC000971777968 714956715 /nfs/dbraw/zinc/95/67/15/714956715.db2.gz IXSDUQBXFUNVCD-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000971778604 714956995 /nfs/dbraw/zinc/95/69/95/714956995.db2.gz OQNGAVBZBJHZIR-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000971778604 714956998 /nfs/dbraw/zinc/95/69/98/714956998.db2.gz OQNGAVBZBJHZIR-RBUKOAKNSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000971785105 714958621 /nfs/dbraw/zinc/95/86/21/714958621.db2.gz RBXCCTKTBJJEDY-QZTJIDSGSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC000971785105 714958622 /nfs/dbraw/zinc/95/86/22/714958622.db2.gz RBXCCTKTBJJEDY-QZTJIDSGSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000971795118 714973238 /nfs/dbraw/zinc/97/32/38/714973238.db2.gz PAJYKZWQCVLHGF-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000971795118 714973241 /nfs/dbraw/zinc/97/32/41/714973241.db2.gz PAJYKZWQCVLHGF-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801746 714994129 /nfs/dbraw/zinc/99/41/29/714994129.db2.gz UWLXFAKCRMZVEZ-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801746 714994133 /nfs/dbraw/zinc/99/41/33/714994133.db2.gz UWLXFAKCRMZVEZ-ZWKOTPCHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801744 714994250 /nfs/dbraw/zinc/99/42/50/714994250.db2.gz UWLXFAKCRMZVEZ-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1 ZINC000971801744 714994251 /nfs/dbraw/zinc/99/42/51/714994251.db2.gz UWLXFAKCRMZVEZ-ROUUACIJSA-N 1 3 349.906 2.857 20 0 EFADHO COc1ccc2nccc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)c2c1 ZINC000891814745 715034766 /nfs/dbraw/zinc/03/47/66/715034766.db2.gz HUALAHPNCSOLFU-KRWDZBQOSA-N 1 3 341.455 2.721 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H](c1ccccc1)N(C)C ZINC000891894903 715098305 /nfs/dbraw/zinc/09/83/05/715098305.db2.gz VRWNFOIVAHFDIT-SZMVWBNQSA-N 1 3 346.519 2.755 20 0 EFADHO C[C@@H](N[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001022601941 715247127 /nfs/dbraw/zinc/24/71/27/715247127.db2.gz ZEBJRALHTHGCHO-BQJWPVKWSA-N 1 3 347.478 2.854 20 0 EFADHO C[C@@H](N[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC001022601941 715247129 /nfs/dbraw/zinc/24/71/29/715247129.db2.gz ZEBJRALHTHGCHO-BQJWPVKWSA-N 1 3 347.478 2.854 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC000892141325 715272250 /nfs/dbraw/zinc/27/22/50/715272250.db2.gz AMKPSEXLNRZOQK-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cn(C)nc2C2CC2)CC1 ZINC000892141325 715272252 /nfs/dbraw/zinc/27/22/52/715272252.db2.gz AMKPSEXLNRZOQK-UHFFFAOYSA-N 1 3 348.535 2.868 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c(Cl)c1 ZINC001022646809 715272881 /nfs/dbraw/zinc/27/28/81/715272881.db2.gz VSLXNDIMGAZJIP-CALCHBBNSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000892153812 715277525 /nfs/dbraw/zinc/27/75/25/715277525.db2.gz SYNXCJAVVIMFES-OXQOHEQNSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000892153812 715277527 /nfs/dbraw/zinc/27/75/27/715277527.db2.gz SYNXCJAVVIMFES-OXQOHEQNSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001024630432 718040629 /nfs/dbraw/zinc/04/06/29/718040629.db2.gz PZAJHUQSYCCFHZ-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042982 715337850 /nfs/dbraw/zinc/33/78/50/715337850.db2.gz SYBZMAXDFZVZHL-AZUAARDMSA-N 1 3 345.531 2.828 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001027044833 715341727 /nfs/dbraw/zinc/34/17/27/715341727.db2.gz GKYOUYUDKVUFMF-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001022711222 715403607 /nfs/dbraw/zinc/40/36/07/715403607.db2.gz UYIQDOHOZRGDFO-UPJWGTAASA-N 1 3 341.908 2.623 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022710964 715405884 /nfs/dbraw/zinc/40/58/84/715405884.db2.gz QAVLEWQUZNKSGY-OKZBNKHCSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001022711677 715409116 /nfs/dbraw/zinc/40/91/16/715409116.db2.gz CNFLTUQMDRTDBV-RYQLBKOJSA-N 1 3 335.536 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001027069137 715409594 /nfs/dbraw/zinc/40/95/94/715409594.db2.gz LPXSUXNXHYMTTO-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001022711822 715409789 /nfs/dbraw/zinc/40/97/89/715409789.db2.gz DPWRUFMMLJGMJJ-FPCVCCKLSA-N 1 3 343.462 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001022712034 715410345 /nfs/dbraw/zinc/41/03/45/715410345.db2.gz IWFZPGNFKQEAAH-ZYSHUDEJSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001022712453 715411671 /nfs/dbraw/zinc/41/16/71/715411671.db2.gz QRALHHAKQUGUDX-RWQQGDIJSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001022712636 715412218 /nfs/dbraw/zinc/41/22/18/715412218.db2.gz VYGIISVFWOZIHN-YHUYYLMFSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c(Cl)c1 ZINC001022712799 715412986 /nfs/dbraw/zinc/41/29/86/715412986.db2.gz ZZOFGJGVIIBFBF-OIISXLGYSA-N 1 3 349.906 2.870 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001022713557 715414599 /nfs/dbraw/zinc/41/45/99/715414599.db2.gz KNTHHVRICNWRGK-FUHIMQAGSA-N 1 3 347.478 2.636 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC001027063066 715415247 /nfs/dbraw/zinc/41/52/47/715415247.db2.gz GVJHJIVKLJBULO-JKSUJKDBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027063517 715416004 /nfs/dbraw/zinc/41/60/04/715416004.db2.gz MUQXSWZSRSFNPA-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063842 715417201 /nfs/dbraw/zinc/41/72/01/715417201.db2.gz SZQCOJJWEWGUTP-RBUKOAKNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063837 715417224 /nfs/dbraw/zinc/41/72/24/715417224.db2.gz SUZQMPUYBXENID-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001027063784 715417337 /nfs/dbraw/zinc/41/73/37/715417337.db2.gz SAYZVXIXYWQFQE-RHSMWYFYSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063954 715417399 /nfs/dbraw/zinc/41/73/99/715417399.db2.gz WCHQIUFJAQPXFC-DLBZAZTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001027064138 715418175 /nfs/dbraw/zinc/41/81/75/715418175.db2.gz YDFCXIKAOZRJLN-VQIMIIECSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC001027064226 715418425 /nfs/dbraw/zinc/41/84/25/715418425.db2.gz ZJZCXOUVXGQCKX-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027064579 715418470 /nfs/dbraw/zinc/41/84/70/715418470.db2.gz HDJBQNYZBHBBES-QFBILLFUSA-N 1 3 343.515 2.583 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001027065149 715419525 /nfs/dbraw/zinc/41/95/25/715419525.db2.gz RQHALKMVZHANNE-ROUUACIJSA-N 1 3 343.515 2.529 20 0 EFADHO CCN1CCN(c2ccc(NCC3CC[NH+](C)CC3)c(C)c2)CC1 ZINC000892254836 715431455 /nfs/dbraw/zinc/43/14/55/715431455.db2.gz QTDFKMQKKYPQHN-UHFFFAOYSA-N 1 3 330.520 2.891 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC(C)(C)C3)C2)c1 ZINC001022716729 715433640 /nfs/dbraw/zinc/43/36/40/715433640.db2.gz GUMGLDPPIRBLIK-CALCHBBNSA-N 1 3 347.478 2.603 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001022716669 715433681 /nfs/dbraw/zinc/43/36/81/715433681.db2.gz DWBBBLDKMWHHAJ-CALCHBBNSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716686 715433831 /nfs/dbraw/zinc/43/38/31/715433831.db2.gz FIWKPBDKEXBHRI-HDICACEKSA-N 1 3 347.478 2.603 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001022717077 715435112 /nfs/dbraw/zinc/43/51/12/715435112.db2.gz OXFMSXVGKMFDLB-HDICACEKSA-N 1 3 333.520 2.846 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001022717018 715437261 /nfs/dbraw/zinc/43/72/61/715437261.db2.gz MQZAEKCIYMIQRX-RYQLBKOJSA-N 1 3 329.488 2.716 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001022721516 715445288 /nfs/dbraw/zinc/44/52/88/715445288.db2.gz XQCNGGGVMKFBMC-SIXLDLHFSA-N 1 3 349.906 2.583 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c(Cl)c1 ZINC001022721516 715445293 /nfs/dbraw/zinc/44/52/93/715445293.db2.gz XQCNGGGVMKFBMC-SIXLDLHFSA-N 1 3 349.906 2.583 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034840 715458008 /nfs/dbraw/zinc/45/80/08/715458008.db2.gz GDXFQCHRSLLOFV-DNVCBOLYSA-N 1 3 341.515 2.682 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C(C)(C)C1 ZINC000975034840 715458013 /nfs/dbraw/zinc/45/80/13/715458013.db2.gz GDXFQCHRSLLOFV-DNVCBOLYSA-N 1 3 341.515 2.682 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000972175277 715476248 /nfs/dbraw/zinc/47/62/48/715476248.db2.gz DUYPSYXOCJRTBW-VDZJLULYSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000972175277 715476250 /nfs/dbraw/zinc/47/62/50/715476250.db2.gz DUYPSYXOCJRTBW-VDZJLULYSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cs1 ZINC000972177965 715481680 /nfs/dbraw/zinc/48/16/80/715481680.db2.gz UUZCRYGORITLDA-WBAXXEDZSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cs1 ZINC000972177965 715481683 /nfs/dbraw/zinc/48/16/83/715481683.db2.gz UUZCRYGORITLDA-WBAXXEDZSA-N 1 3 349.544 2.820 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027091327 715544441 /nfs/dbraw/zinc/54/44/41/715544441.db2.gz JVIFFJRLGARXRX-SJORKVTESA-N 1 3 340.471 2.768 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2ccc3ccccc3c2)C1 ZINC001027091544 715545889 /nfs/dbraw/zinc/54/58/89/715545889.db2.gz OYVANMABKJFYHV-KRWDZBQOSA-N 1 3 348.450 2.744 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091839 715546199 /nfs/dbraw/zinc/54/61/99/715546199.db2.gz VRJAMZVFEKLAEY-SFHVURJKSA-N 1 3 340.471 2.543 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091837 715546571 /nfs/dbraw/zinc/54/65/71/715546571.db2.gz VQWPKFLVQXSQQW-CQSZACIVSA-N 1 3 346.862 2.552 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972235561 715575394 /nfs/dbraw/zinc/57/53/94/715575394.db2.gz PTMHEEUWNPIERR-IBGZPJMESA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972258533 715601417 /nfs/dbraw/zinc/60/14/17/715601417.db2.gz PBLCNGXYIXYLPX-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972258533 715601418 /nfs/dbraw/zinc/60/14/18/715601418.db2.gz PBLCNGXYIXYLPX-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1F ZINC000972265286 715611613 /nfs/dbraw/zinc/61/16/13/715611613.db2.gz LTHDJLKSHIULCF-PKOBYXMFSA-N 1 3 349.494 2.753 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325923 715691647 /nfs/dbraw/zinc/69/16/47/715691647.db2.gz DYHXKUPCMOKUCL-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325923 715691650 /nfs/dbraw/zinc/69/16/50/715691650.db2.gz DYHXKUPCMOKUCL-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325923 715691652 /nfs/dbraw/zinc/69/16/52/715691652.db2.gz DYHXKUPCMOKUCL-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325923 715691655 /nfs/dbraw/zinc/69/16/55/715691655.db2.gz DYHXKUPCMOKUCL-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330026 715697416 /nfs/dbraw/zinc/69/74/16/715697416.db2.gz CXQJBOYWHBFQHU-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972330026 715697421 /nfs/dbraw/zinc/69/74/21/715697421.db2.gz CXQJBOYWHBFQHU-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972330097 715697799 /nfs/dbraw/zinc/69/77/99/715697799.db2.gz DNGNNUYCYASFQK-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972330097 715697802 /nfs/dbraw/zinc/69/78/02/715697802.db2.gz DNGNNUYCYASFQK-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972329735 715699055 /nfs/dbraw/zinc/69/90/55/715699055.db2.gz AKLDLYOFMJJBJL-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000972329735 715699057 /nfs/dbraw/zinc/69/90/57/715699057.db2.gz AKLDLYOFMJJBJL-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329735 715699059 /nfs/dbraw/zinc/69/90/59/715699059.db2.gz AKLDLYOFMJJBJL-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329735 715699060 /nfs/dbraw/zinc/69/90/60/715699060.db2.gz AKLDLYOFMJJBJL-VQIMIIECSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329785 715699437 /nfs/dbraw/zinc/69/94/37/715699437.db2.gz BKIOPPJYDBRCOH-MOPGFXCFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000972329785 715699442 /nfs/dbraw/zinc/69/94/42/715699442.db2.gz BKIOPPJYDBRCOH-MOPGFXCFSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000972332232 715702476 /nfs/dbraw/zinc/70/24/76/715702476.db2.gz ORBJWHCYDYIFNG-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000972332232 715702481 /nfs/dbraw/zinc/70/24/81/715702481.db2.gz ORBJWHCYDYIFNG-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972331401 715703621 /nfs/dbraw/zinc/70/36/21/715703621.db2.gz KOZSGUISOWDKFV-ICSRJNTNSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972331401 715703626 /nfs/dbraw/zinc/70/36/26/715703626.db2.gz KOZSGUISOWDKFV-ICSRJNTNSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000972331709 715704109 /nfs/dbraw/zinc/70/41/09/715704109.db2.gz LTNFDAKHQHIWPD-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000972331709 715704112 /nfs/dbraw/zinc/70/41/12/715704112.db2.gz LTNFDAKHQHIWPD-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331495 715704285 /nfs/dbraw/zinc/70/42/85/715704285.db2.gz LLVXDCUBXSWXBO-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331495 715704289 /nfs/dbraw/zinc/70/42/89/715704289.db2.gz LLVXDCUBXSWXBO-QAPCUYQASA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972333901 715707612 /nfs/dbraw/zinc/70/76/12/715707612.db2.gz ZDOFFXDOSOBCFO-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972333901 715707615 /nfs/dbraw/zinc/70/76/15/715707615.db2.gz ZDOFFXDOSOBCFO-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334149 715707795 /nfs/dbraw/zinc/70/77/95/715707795.db2.gz DXVNVCAPZSABEF-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3CCC4(CC4)CC3)C2)C1 ZINC000972334149 715707799 /nfs/dbraw/zinc/70/77/99/715707799.db2.gz DXVNVCAPZSABEF-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334731 715708332 /nfs/dbraw/zinc/70/83/32/715708332.db2.gz IVXPPWNBVVDEIW-VQIMIIECSA-N 1 3 347.478 2.531 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334731 715708337 /nfs/dbraw/zinc/70/83/37/715708337.db2.gz IVXPPWNBVVDEIW-VQIMIIECSA-N 1 3 347.478 2.531 20 0 EFADHO C[N@H+](CCC1CC1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334504 715708955 /nfs/dbraw/zinc/70/89/55/715708955.db2.gz HOEJBYXHZRTWQU-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CCC1CC1)[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334504 715708958 /nfs/dbraw/zinc/70/89/58/715708958.db2.gz HOEJBYXHZRTWQU-VQIMIIECSA-N 1 3 339.499 2.532 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cs1 ZINC000972333234 715709568 /nfs/dbraw/zinc/70/95/68/715709568.db2.gz UXBMZRFYNBKGDK-RHSMWYFYSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cs1 ZINC000972333234 715709570 /nfs/dbraw/zinc/70/95/70/715709570.db2.gz UXBMZRFYNBKGDK-RHSMWYFYSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1F ZINC000972334946 715709641 /nfs/dbraw/zinc/70/96/41/715709641.db2.gz LPOLLFCZIIDEHU-YJBOKZPZSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1F ZINC000972334946 715709644 /nfs/dbraw/zinc/70/96/44/715709644.db2.gz LPOLLFCZIIDEHU-YJBOKZPZSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336053 715711420 /nfs/dbraw/zinc/71/14/20/715711420.db2.gz UOCOLFFHRXOYCH-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336053 715711423 /nfs/dbraw/zinc/71/14/23/715711423.db2.gz UOCOLFFHRXOYCH-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336050 715711431 /nfs/dbraw/zinc/71/14/31/715711431.db2.gz UOCOLFFHRXOYCH-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)C1 ZINC000972336050 715711432 /nfs/dbraw/zinc/71/14/32/715711432.db2.gz UOCOLFFHRXOYCH-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414340 715715060 /nfs/dbraw/zinc/71/50/60/715715060.db2.gz MZERRYLRJZKJMH-QZTJIDSGSA-N 1 3 347.528 2.513 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)s1 ZINC000972339972 715720428 /nfs/dbraw/zinc/72/04/28/715720428.db2.gz QAZDLHJPAYZXII-KSSFIOAISA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c(C)s1 ZINC000972339972 715720430 /nfs/dbraw/zinc/72/04/30/715720430.db2.gz QAZDLHJPAYZXII-KSSFIOAISA-N 1 3 349.544 2.739 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022808432 715729479 /nfs/dbraw/zinc/72/94/79/715729479.db2.gz VTEBMQOWQAWKIH-FGTMMUONSA-N 1 3 335.536 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022807678 715729953 /nfs/dbraw/zinc/72/99/53/715729953.db2.gz KPSSHWFVOMYEHU-BBWFWOEESA-N 1 3 335.517 2.748 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000972352891 715737264 /nfs/dbraw/zinc/73/72/64/715737264.db2.gz DIILZPSLFUZPCT-AEFFLSMTSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000972352891 715737268 /nfs/dbraw/zinc/73/72/68/715737268.db2.gz DIILZPSLFUZPCT-AEFFLSMTSA-N 1 3 343.471 2.806 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353933 715739078 /nfs/dbraw/zinc/73/90/78/715739078.db2.gz JOUVVKAWJFPPCT-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000972353933 715739083 /nfs/dbraw/zinc/73/90/83/715739083.db2.gz JOUVVKAWJFPPCT-MOPGFXCFSA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000972354775 715741324 /nfs/dbraw/zinc/74/13/24/715741324.db2.gz OQNGAVBZBJHZIR-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000972354775 715741328 /nfs/dbraw/zinc/74/13/28/715741328.db2.gz OQNGAVBZBJHZIR-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000972355011 715741598 /nfs/dbraw/zinc/74/15/98/715741598.db2.gz QRNMPQLUFPOTSV-SJORKVTESA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)N(C)C ZINC000972355011 715741600 /nfs/dbraw/zinc/74/16/00/715741600.db2.gz QRNMPQLUFPOTSV-SJORKVTESA-N 1 3 337.895 2.713 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972354800 715742017 /nfs/dbraw/zinc/74/20/17/715742017.db2.gz PHPZHYCJQKTAAN-UXHICEINSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972354800 715742020 /nfs/dbraw/zinc/74/20/20/715742020.db2.gz PHPZHYCJQKTAAN-UXHICEINSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000972354823 715742126 /nfs/dbraw/zinc/74/21/26/715742126.db2.gz PLJWPXHULJFMGS-MSOLQXFVSA-N 1 3 335.467 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000972354823 715742131 /nfs/dbraw/zinc/74/21/31/715742131.db2.gz PLJWPXHULJFMGS-MSOLQXFVSA-N 1 3 335.467 2.529 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000972355768 715742922 /nfs/dbraw/zinc/74/29/22/715742922.db2.gz ZHUYRUOVZKIXAK-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000972355768 715742926 /nfs/dbraw/zinc/74/29/26/715742926.db2.gz ZHUYRUOVZKIXAK-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001027441345 715811262 /nfs/dbraw/zinc/81/12/62/715811262.db2.gz DTHKSTHVTUUVMU-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1)C1CCC1 ZINC001027441345 715811264 /nfs/dbraw/zinc/81/12/64/715811264.db2.gz DTHKSTHVTUUVMU-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001027441572 715812199 /nfs/dbraw/zinc/81/21/99/715812199.db2.gz GFVFWYMSCMCAOG-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CCC1 ZINC001027441572 715812205 /nfs/dbraw/zinc/81/22/05/715812205.db2.gz GFVFWYMSCMCAOG-IBGZPJMESA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001027440252 715815686 /nfs/dbraw/zinc/81/56/86/715815686.db2.gz ARMPSBQLRACTDP-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001027440252 715815691 /nfs/dbraw/zinc/81/56/91/715815691.db2.gz ARMPSBQLRACTDP-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443181 715816724 /nfs/dbraw/zinc/81/67/24/715816724.db2.gz JMVSXRTXSTWLNS-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443181 715816729 /nfs/dbraw/zinc/81/67/29/715816729.db2.gz JMVSXRTXSTWLNS-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443778 715818197 /nfs/dbraw/zinc/81/81/97/715818197.db2.gz NYTKDIZMEKXCRE-SJLPKXTDSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1)C1CC1 ZINC001027443778 715818201 /nfs/dbraw/zinc/81/82/01/715818201.db2.gz NYTKDIZMEKXCRE-SJLPKXTDSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443532 715818352 /nfs/dbraw/zinc/81/83/52/715818352.db2.gz MRPOBSZPYJWABV-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1)C1CC1 ZINC001027443532 715818357 /nfs/dbraw/zinc/81/83/57/715818357.db2.gz MRPOBSZPYJWABV-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444293 715820099 /nfs/dbraw/zinc/82/00/99/715820099.db2.gz QTPHPCPHOHARQE-RBUKOAKNSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444293 715820103 /nfs/dbraw/zinc/82/01/03/715820103.db2.gz QTPHPCPHOHARQE-RBUKOAKNSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444290 715820299 /nfs/dbraw/zinc/82/02/99/715820299.db2.gz QTFXFCNEKGUTQK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)C1CC1 ZINC001027444290 715820304 /nfs/dbraw/zinc/82/03/04/715820304.db2.gz QTFXFCNEKGUTQK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001027442011 715821717 /nfs/dbraw/zinc/82/17/17/715821717.db2.gz ONOJKUDMOLLEHJ-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1)C1CCC1 ZINC001027442011 715821723 /nfs/dbraw/zinc/82/17/23/715821723.db2.gz ONOJKUDMOLLEHJ-QGZVFWFLSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027453051 715853233 /nfs/dbraw/zinc/85/32/33/715853233.db2.gz YMNBSFUIHBZHGN-MSOLQXFVSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027453051 715853237 /nfs/dbraw/zinc/85/32/37/715853237.db2.gz YMNBSFUIHBZHGN-MSOLQXFVSA-N 1 3 337.552 2.932 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027459823 715874735 /nfs/dbraw/zinc/87/47/35/715874735.db2.gz CINUDWXAQAQAEH-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027459823 715874739 /nfs/dbraw/zinc/87/47/39/715874739.db2.gz CINUDWXAQAQAEH-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO C[N@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCCc2ccccc21 ZINC000972424440 715874972 /nfs/dbraw/zinc/87/49/72/715874972.db2.gz BBXAWZOYKDGYOW-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCCc2ccccc21 ZINC000972424440 715874976 /nfs/dbraw/zinc/87/49/76/715874976.db2.gz BBXAWZOYKDGYOW-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027460574 715890059 /nfs/dbraw/zinc/89/00/59/715890059.db2.gz KVWZVAUSWJKSSJ-DLBZAZTESA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001027460574 715890068 /nfs/dbraw/zinc/89/00/68/715890068.db2.gz KVWZVAUSWJKSSJ-DLBZAZTESA-N 1 3 337.533 2.820 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027461530 715892309 /nfs/dbraw/zinc/89/23/09/715892309.db2.gz MLHSIAANDUGMHE-IEBWSBKVSA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2F)C1)N(C)C ZINC001027461530 715892314 /nfs/dbraw/zinc/89/23/14/715892314.db2.gz MLHSIAANDUGMHE-IEBWSBKVSA-N 1 3 349.494 2.631 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)C1CC1 ZINC000985467058 724432900 /nfs/dbraw/zinc/43/29/00/724432900.db2.gz HDQDNYMNUCXBKQ-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)C1CC1 ZINC000985467058 724432902 /nfs/dbraw/zinc/43/29/02/724432902.db2.gz HDQDNYMNUCXBKQ-LJQANCHMSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217001 715920900 /nfs/dbraw/zinc/92/09/00/715920900.db2.gz DALYHXIABRZGPG-MRXNPFEDSA-N 1 3 349.906 2.682 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217640 715921736 /nfs/dbraw/zinc/92/17/36/715921736.db2.gz NNQKDDMFVMOOEH-QZTJIDSGSA-N 1 3 329.488 2.590 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001027217915 715922074 /nfs/dbraw/zinc/92/20/74/715922074.db2.gz SJJYPSUDMUABFQ-KRWDZBQOSA-N 1 3 341.499 2.598 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001027234402 715946468 /nfs/dbraw/zinc/94/64/68/715946468.db2.gz VWEZCULCKQEOPQ-AVAKVYKDSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001027235742 715949342 /nfs/dbraw/zinc/94/93/42/715949342.db2.gz UMXJAMHXERBAQX-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001027235766 715949687 /nfs/dbraw/zinc/94/96/87/715949687.db2.gz VBQXUCCDPPWFLX-MOPGFXCFSA-N 1 3 333.520 2.799 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001027235991 715950085 /nfs/dbraw/zinc/95/00/85/715950085.db2.gz ZOQAVLXHSYDUKN-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001027235987 715950371 /nfs/dbraw/zinc/95/03/71/715950371.db2.gz ZNKQGGDKKXSMTL-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001027235209 715957788 /nfs/dbraw/zinc/95/77/88/715957788.db2.gz MDIHWEZJRYOSSE-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985468615 724441852 /nfs/dbraw/zinc/44/18/52/724441852.db2.gz YFBHFCYTRQBOIY-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000985468615 724441855 /nfs/dbraw/zinc/44/18/55/724441855.db2.gz YFBHFCYTRQBOIY-FQEVSTJZSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)Cc3ccsc3)CC2)CCC1 ZINC000985468748 724442194 /nfs/dbraw/zinc/44/21/94/724442194.db2.gz AYHIUFIHSUOMPX-UHFFFAOYSA-N 1 3 335.517 2.655 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)Cc3ccsc3)CC2)CCC1 ZINC000985468748 724442195 /nfs/dbraw/zinc/44/21/95/724442195.db2.gz AYHIUFIHSUOMPX-UHFFFAOYSA-N 1 3 335.517 2.655 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000985468993 724442530 /nfs/dbraw/zinc/44/25/30/724442530.db2.gz CNBUOEVDZFFJFA-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000985468993 724442531 /nfs/dbraw/zinc/44/25/31/724442531.db2.gz CNBUOEVDZFFJFA-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001023025022 716094489 /nfs/dbraw/zinc/09/44/89/716094489.db2.gz RFHGFCVDBSMUIR-DZUCGIPZSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001023125849 716163731 /nfs/dbraw/zinc/16/37/31/716163731.db2.gz ZLBOEXBCVDNYEK-TZRIAGMCSA-N 1 3 343.515 2.647 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001023130300 716165882 /nfs/dbraw/zinc/16/58/82/716165882.db2.gz IHQVGBRSMJZSLA-WSTZPKSXSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001023130923 716166241 /nfs/dbraw/zinc/16/62/41/716166241.db2.gz NHJBZVYOTXYGCQ-CEXWTWQISA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001023130924 716166286 /nfs/dbraw/zinc/16/62/86/716166286.db2.gz NHJBZVYOTXYGCQ-OTWHNJEPSA-N 1 3 347.478 2.745 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001023130938 716166296 /nfs/dbraw/zinc/16/62/96/716166296.db2.gz OKLXPVHSLNHFAM-CEXWTWQISA-N 1 3 333.520 2.988 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977451476 716228538 /nfs/dbraw/zinc/22/85/38/716228538.db2.gz JFFMQGHIJAJWQQ-RBUKOAKNSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977451476 716228540 /nfs/dbraw/zinc/22/85/40/716228540.db2.gz JFFMQGHIJAJWQQ-RBUKOAKNSA-N 1 3 343.515 2.663 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599840 716405663 /nfs/dbraw/zinc/40/56/63/716405663.db2.gz MZJHEFMNDDTURF-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1 ZINC000977599840 716405670 /nfs/dbraw/zinc/40/56/70/716405670.db2.gz MZJHEFMNDDTURF-RTBURBONSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637473 716415724 /nfs/dbraw/zinc/41/57/24/716415724.db2.gz GGFRLEXGNJJYMM-CRAIPNDOSA-N 1 3 349.494 2.937 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637473 716415730 /nfs/dbraw/zinc/41/57/30/716415730.db2.gz GGFRLEXGNJJYMM-CRAIPNDOSA-N 1 3 349.494 2.937 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001023402183 716423590 /nfs/dbraw/zinc/42/35/90/716423590.db2.gz HVGZEQWBDOLESY-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccsc2)C1 ZINC001023402183 716423594 /nfs/dbraw/zinc/42/35/94/716423594.db2.gz HVGZEQWBDOLESY-SJLPKXTDSA-N 1 3 349.544 2.951 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023402260 716423659 /nfs/dbraw/zinc/42/36/59/716423659.db2.gz JFRJWCOHIXHXLK-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023402260 716423661 /nfs/dbraw/zinc/42/36/61/716423661.db2.gz JFRJWCOHIXHXLK-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681050 716489225 /nfs/dbraw/zinc/48/92/25/716489225.db2.gz OKORZODERGUGGX-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681050 716489228 /nfs/dbraw/zinc/48/92/28/716489228.db2.gz OKORZODERGUGGX-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027555725 716520469 /nfs/dbraw/zinc/52/04/69/716520469.db2.gz SHOFBRILMCPJDI-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000893521316 716521760 /nfs/dbraw/zinc/52/17/60/716521760.db2.gz CFAPTAJDMULVGJ-MJUUVYJYSA-N 1 3 346.515 2.928 20 0 EFADHO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000893521317 716521857 /nfs/dbraw/zinc/52/18/57/716521857.db2.gz CFAPTAJDMULVGJ-OYNPSCLESA-N 1 3 346.515 2.928 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000978946859 716593507 /nfs/dbraw/zinc/59/35/07/716593507.db2.gz DURJPNVOEYAJSU-YSTOQKLRSA-N 1 3 347.547 2.901 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000978946859 716593513 /nfs/dbraw/zinc/59/35/13/716593513.db2.gz DURJPNVOEYAJSU-YSTOQKLRSA-N 1 3 347.547 2.901 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000978948566 716595623 /nfs/dbraw/zinc/59/56/23/716595623.db2.gz JLRVRWUKHCTGHO-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000978948566 716595628 /nfs/dbraw/zinc/59/56/28/716595628.db2.gz JLRVRWUKHCTGHO-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CN(CC(=O)Nc1ccccc1Br)C1CCC([NH3+])CC1 ZINC000091847240 716673536 /nfs/dbraw/zinc/67/35/36/716673536.db2.gz ZISRWWWCHUJEOJ-UHFFFAOYSA-N 1 3 340.265 2.589 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979077311 716695836 /nfs/dbraw/zinc/69/58/36/716695836.db2.gz LOQMUCCUNRAONX-MVJPYGJCSA-N 1 3 343.515 2.702 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3CN(C)C)[C@@H]2C1 ZINC000979077311 716695837 /nfs/dbraw/zinc/69/58/37/716695837.db2.gz LOQMUCCUNRAONX-MVJPYGJCSA-N 1 3 343.515 2.702 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576911 716700275 /nfs/dbraw/zinc/70/02/75/716700275.db2.gz ZMTDPDUXEIWSIX-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576911 716700277 /nfs/dbraw/zinc/70/02/77/716700277.db2.gz ZMTDPDUXEIWSIX-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576919 716700483 /nfs/dbraw/zinc/70/04/83/716700483.db2.gz ZRQFREOEOSZGIK-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001027576919 716700487 /nfs/dbraw/zinc/70/04/87/716700487.db2.gz ZRQFREOEOSZGIK-AEFFLSMTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027575994 716708577 /nfs/dbraw/zinc/70/85/77/716708577.db2.gz HYRPOVXBIKYQKF-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027575994 716708581 /nfs/dbraw/zinc/70/85/81/716708581.db2.gz HYRPOVXBIKYQKF-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576088 716709242 /nfs/dbraw/zinc/70/92/42/716709242.db2.gz JXQPXQIZXGOLQR-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001027576088 716709245 /nfs/dbraw/zinc/70/92/45/716709245.db2.gz JXQPXQIZXGOLQR-VQIMIIECSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC001027576501 716713277 /nfs/dbraw/zinc/71/32/77/716713277.db2.gz PWEQXKUWLMEETM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC001027576501 716713281 /nfs/dbraw/zinc/71/32/81/716713281.db2.gz PWEQXKUWLMEETM-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC001027576500 716713514 /nfs/dbraw/zinc/71/35/14/716713514.db2.gz PWEQXKUWLMEETM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC001027576500 716713520 /nfs/dbraw/zinc/71/35/20/716713520.db2.gz PWEQXKUWLMEETM-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1 ZINC001027576522 716714244 /nfs/dbraw/zinc/71/42/44/716714244.db2.gz QFZOBADQDOZFBE-IAGOWNOFSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1 ZINC001027576522 716714248 /nfs/dbraw/zinc/71/42/48/716714248.db2.gz QFZOBADQDOZFBE-IAGOWNOFSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610281 716719574 /nfs/dbraw/zinc/71/95/74/716719574.db2.gz LYGBHCGKUNULTF-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000972610281 716719577 /nfs/dbraw/zinc/71/95/77/716719577.db2.gz LYGBHCGKUNULTF-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCC3CCCC3)C2)CC1 ZINC000972612621 716722760 /nfs/dbraw/zinc/72/27/60/716722760.db2.gz MFGBZSIJZUEOFY-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCC3CCCC3)C2)CC1 ZINC000972612621 716722767 /nfs/dbraw/zinc/72/27/67/716722767.db2.gz MFGBZSIJZUEOFY-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577706 716725193 /nfs/dbraw/zinc/72/51/93/716725193.db2.gz RHWSJPWJIUJMIJ-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577706 716725199 /nfs/dbraw/zinc/72/51/99/716725199.db2.gz RHWSJPWJIUJMIJ-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027578170 716745990 /nfs/dbraw/zinc/74/59/90/716745990.db2.gz FPFHRTVMQZTXDB-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001027578170 716745995 /nfs/dbraw/zinc/74/59/95/716745995.db2.gz FPFHRTVMQZTXDB-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027578210 716746122 /nfs/dbraw/zinc/74/61/22/716746122.db2.gz GKFIQKGBCIQCSN-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027578210 716746127 /nfs/dbraw/zinc/74/61/27/716746127.db2.gz GKFIQKGBCIQCSN-ROUUACIJSA-N 1 3 335.467 2.589 20 0 EFADHO C[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594646 716878793 /nfs/dbraw/zinc/87/87/93/716878793.db2.gz LAYICUFGNHFTKV-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594646 716878798 /nfs/dbraw/zinc/87/87/98/716878798.db2.gz LAYICUFGNHFTKV-PKOBYXMFSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594801 716880108 /nfs/dbraw/zinc/88/01/08/716880108.db2.gz OPBDNMBLUZNMNI-GOSISDBHSA-N 1 3 330.476 2.766 20 0 EFADHO C[N@@H+](CCC1=CCCCC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594801 716880114 /nfs/dbraw/zinc/88/01/14/716880114.db2.gz OPBDNMBLUZNMNI-GOSISDBHSA-N 1 3 330.476 2.766 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978235270 716910039 /nfs/dbraw/zinc/91/00/39/716910039.db2.gz UMLVAQYOWOPMQZ-FJIDUMEYSA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978235270 716910043 /nfs/dbraw/zinc/91/00/43/716910043.db2.gz UMLVAQYOWOPMQZ-FJIDUMEYSA-N 1 3 335.536 2.591 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761547 716974224 /nfs/dbraw/zinc/97/42/24/716974224.db2.gz CIVPQWNBAONHCA-GOSISDBHSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CCC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761547 716974229 /nfs/dbraw/zinc/97/42/29/716974229.db2.gz CIVPQWNBAONHCA-GOSISDBHSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761507 716974610 /nfs/dbraw/zinc/97/46/10/716974610.db2.gz BNBNHKAZVIUTOW-AEFFLSMTSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001023761507 716974612 /nfs/dbraw/zinc/97/46/12/716974612.db2.gz BNBNHKAZVIUTOW-AEFFLSMTSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763320 716975234 /nfs/dbraw/zinc/97/52/34/716975234.db2.gz IRJBPMBXHJVWSD-DLBZAZTESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763320 716975236 /nfs/dbraw/zinc/97/52/36/716975236.db2.gz IRJBPMBXHJVWSD-DLBZAZTESA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023763383 716976340 /nfs/dbraw/zinc/97/63/40/716976340.db2.gz LTQXUXPIDPPQEP-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023763383 716976343 /nfs/dbraw/zinc/97/63/43/716976343.db2.gz LTQXUXPIDPPQEP-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC000972733410 717162974 /nfs/dbraw/zinc/16/29/74/717162974.db2.gz QEGNFWIHBPVKQM-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC000972733410 717162976 /nfs/dbraw/zinc/16/29/76/717162976.db2.gz QEGNFWIHBPVKQM-FUHWJXTLSA-N 1 3 349.544 2.739 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404903 717218230 /nfs/dbraw/zinc/21/82/30/717218230.db2.gz FACYFIGTMYLWIQ-MAUKXSAKSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404903 717218232 /nfs/dbraw/zinc/21/82/32/717218232.db2.gz FACYFIGTMYLWIQ-MAUKXSAKSA-N 1 3 333.451 2.515 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CC1 ZINC001024018505 717220301 /nfs/dbraw/zinc/22/03/01/717220301.db2.gz OXPQDANSLILCMU-HKUYNNGSSA-N 1 3 333.520 2.655 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccsc2)C1)C1CCC1 ZINC001024019464 717228273 /nfs/dbraw/zinc/22/82/73/717228273.db2.gz ZPYIIPXXFUYSMU-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001024039252 717249196 /nfs/dbraw/zinc/24/91/96/717249196.db2.gz SGBQRHZNFMWJNQ-RBUKOAKNSA-N 1 3 349.494 2.825 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001024038997 717249543 /nfs/dbraw/zinc/24/95/43/717249543.db2.gz MANBXLHOHPPHEU-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001024039520 717250214 /nfs/dbraw/zinc/25/02/14/717250214.db2.gz XYYYMTTUVXCRDF-WOJBJXKFSA-N 1 3 345.531 2.917 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@H+](C)CC3CCC3)C2)c1 ZINC000980471290 717309230 /nfs/dbraw/zinc/30/92/30/717309230.db2.gz MXQRCULOBXLPIB-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)c1 ZINC000980471290 717309232 /nfs/dbraw/zinc/30/92/32/717309232.db2.gz MXQRCULOBXLPIB-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CC1CC(C[N@H+](C)[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000980473164 717311734 /nfs/dbraw/zinc/31/17/34/717311734.db2.gz ZGZQDXAMLNLRKP-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@@H+](C)[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000980473164 717311739 /nfs/dbraw/zinc/31/17/39/717311739.db2.gz ZGZQDXAMLNLRKP-NLPFYKDJSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000980477373 717319977 /nfs/dbraw/zinc/31/99/77/717319977.db2.gz FZTKXWRTZVYARD-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000980477373 717319982 /nfs/dbraw/zinc/31/99/82/717319982.db2.gz FZTKXWRTZVYARD-FAFZWHIHSA-N 1 3 343.515 2.941 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486938 717330703 /nfs/dbraw/zinc/33/07/03/717330703.db2.gz YKYCIPNOONBHCF-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486938 717330704 /nfs/dbraw/zinc/33/07/04/717330704.db2.gz YKYCIPNOONBHCF-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979705617 717365339 /nfs/dbraw/zinc/36/53/39/717365339.db2.gz ANSWBBJUAIDHKR-OKZBNKHCSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979705617 717365345 /nfs/dbraw/zinc/36/53/45/717365345.db2.gz ANSWBBJUAIDHKR-OKZBNKHCSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001024139931 717388714 /nfs/dbraw/zinc/38/87/14/717388714.db2.gz RLZHGTCSOQJDSX-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024155835 717449830 /nfs/dbraw/zinc/44/98/30/717449830.db2.gz AQYHENWFSLPAGD-HKUYNNGSSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001024156076 717450482 /nfs/dbraw/zinc/45/04/82/717450482.db2.gz HUQYCVOZROENIN-IAGOWNOFSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001024156077 717450537 /nfs/dbraw/zinc/45/05/37/717450537.db2.gz HUQYCVOZROENIN-IRXDYDNUSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001024156455 717450852 /nfs/dbraw/zinc/45/08/52/717450852.db2.gz NXGRFBWPWKUUFW-RDJZCZTQSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001024156590 717451392 /nfs/dbraw/zinc/45/13/92/717451392.db2.gz QEIICGKUMQTPOK-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001024156725 717451434 /nfs/dbraw/zinc/45/14/34/717451434.db2.gz SKVLMTLZTZXZSO-UYAOXDASSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001024156908 717451458 /nfs/dbraw/zinc/45/14/58/717451458.db2.gz VDWCZIXSOFHAMS-ICSRJNTNSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001024159478 717453854 /nfs/dbraw/zinc/45/38/54/717453854.db2.gz GZHLRNLNIZKRLT-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001024160140 717455564 /nfs/dbraw/zinc/45/55/64/717455564.db2.gz QQKFURJVYAIIOI-OALUTQOASA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC001024162708 717458121 /nfs/dbraw/zinc/45/81/21/717458121.db2.gz YQDATSAGUBQZHO-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024176382 717474430 /nfs/dbraw/zinc/47/44/30/717474430.db2.gz AQBFPIISCLPUES-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001024180344 717479424 /nfs/dbraw/zinc/47/94/24/717479424.db2.gz WCEMPLNHVHXFMJ-GJZGRUSLSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000980606935 717487515 /nfs/dbraw/zinc/48/75/15/717487515.db2.gz JEZMOURHOIEYRK-HOCLYGCPSA-N 1 3 349.544 2.867 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CCc2cccs2)CC1)C1CC1 ZINC000985471469 724445135 /nfs/dbraw/zinc/44/51/35/724445135.db2.gz VDXNBBUVWTYBRJ-GOSISDBHSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1)C1CC1 ZINC000985471469 724445136 /nfs/dbraw/zinc/44/51/36/724445136.db2.gz VDXNBBUVWTYBRJ-GOSISDBHSA-N 1 3 349.544 2.554 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3)C2)CC1 ZINC001024211474 717496420 /nfs/dbraw/zinc/49/64/20/717496420.db2.gz AMUJQFNTTNWYQB-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001024278228 717563084 /nfs/dbraw/zinc/56/30/84/717563084.db2.gz HOTFNDPPUYNNDZ-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024278070 717563244 /nfs/dbraw/zinc/56/32/44/717563244.db2.gz AZYIEYUMCWYIMG-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CCc3ccccc3)CC2)CCC1 ZINC000985471422 724445497 /nfs/dbraw/zinc/44/54/97/724445497.db2.gz UGCANZXRWBNEGH-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CCc3ccccc3)CC2)CCC1 ZINC000985471422 724445498 /nfs/dbraw/zinc/44/54/98/724445498.db2.gz UGCANZXRWBNEGH-UHFFFAOYSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1C ZINC000980707605 717614726 /nfs/dbraw/zinc/61/47/26/717614726.db2.gz FBPUMBDZJSZEQT-SJLPKXTDSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709657 717641584 /nfs/dbraw/zinc/64/15/84/717641584.db2.gz YXXUOVPGUQNPHG-ZFWWWQNUSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709696 717641645 /nfs/dbraw/zinc/64/16/45/717641645.db2.gz ZOSPJBBCYNMZCD-HIFRSBDPSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739353 717658604 /nfs/dbraw/zinc/65/86/04/717658604.db2.gz PHUPEUBJRFLVJE-ZWKOTPCHSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000980739352 717658740 /nfs/dbraw/zinc/65/87/40/717658740.db2.gz PHUPEUBJRFLVJE-ROUUACIJSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740663 717659382 /nfs/dbraw/zinc/65/93/82/717659382.db2.gz XDNZFYYRXGXHKN-FUHWJXTLSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC000985480197 724461595 /nfs/dbraw/zinc/46/15/95/724461595.db2.gz BVPHJTMBLUOJRG-SFHVURJKSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1)N(C)C ZINC000985480197 724461597 /nfs/dbraw/zinc/46/15/97/724461597.db2.gz BVPHJTMBLUOJRG-SFHVURJKSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001027878684 717742556 /nfs/dbraw/zinc/74/25/56/717742556.db2.gz GRGAVVWNXCTTKB-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001027878684 717742560 /nfs/dbraw/zinc/74/25/60/717742560.db2.gz GRGAVVWNXCTTKB-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027878948 717742786 /nfs/dbraw/zinc/74/27/86/717742786.db2.gz KSGVWVOWCMTATN-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027878948 717742793 /nfs/dbraw/zinc/74/27/93/717742793.db2.gz KSGVWVOWCMTATN-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001027879451 717747082 /nfs/dbraw/zinc/74/70/82/717747082.db2.gz SIFJMJPFVGFKCS-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001027879451 717747086 /nfs/dbraw/zinc/74/70/86/717747086.db2.gz SIFJMJPFVGFKCS-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001027879451 717747092 /nfs/dbraw/zinc/74/70/92/717747092.db2.gz SIFJMJPFVGFKCS-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001027879451 717747097 /nfs/dbraw/zinc/74/70/97/717747097.db2.gz SIFJMJPFVGFKCS-WOJBJXKFSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027878533 717750345 /nfs/dbraw/zinc/75/03/45/717750345.db2.gz DJFSULSQTMWQAD-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027878533 717750350 /nfs/dbraw/zinc/75/03/50/717750350.db2.gz DJFSULSQTMWQAD-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980799435 717773685 /nfs/dbraw/zinc/77/36/85/717773685.db2.gz HTSAPYIJMNXLOW-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980799589 717773958 /nfs/dbraw/zinc/77/39/58/717773958.db2.gz IZEBZTUFRHEKQE-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811164 717782155 /nfs/dbraw/zinc/78/21/55/717782155.db2.gz IQBWBHXMFNNNHU-QAPCUYQASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811866 717789747 /nfs/dbraw/zinc/78/97/47/717789747.db2.gz SMILMERVFHPADI-APWZRJJASA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001029754960 724474962 /nfs/dbraw/zinc/47/49/62/724474962.db2.gz GFIZZBHRTZZDRB-MAUKXSAKSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001029754960 724474966 /nfs/dbraw/zinc/47/49/66/724474966.db2.gz GFIZZBHRTZZDRB-MAUKXSAKSA-N 1 3 349.544 2.677 20 0 EFADHO O=C(NC[C@@H]1CCCN1CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027997394 717854171 /nfs/dbraw/zinc/85/41/71/717854171.db2.gz NKESSFRELUMYIX-SFHVURJKSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1)N1CCCC1 ZINC000980173699 717857876 /nfs/dbraw/zinc/85/78/76/717857876.db2.gz SBSTWLRWBWSPDD-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1)N1CCCC1 ZINC000980173699 717857879 /nfs/dbraw/zinc/85/78/79/717857879.db2.gz SBSTWLRWBWSPDD-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccsc3)C2)CCC1 ZINC001029755118 724474365 /nfs/dbraw/zinc/47/43/65/724474365.db2.gz IAWXJVGMIVQGKS-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)CCC1 ZINC001029755118 724474369 /nfs/dbraw/zinc/47/43/69/724474369.db2.gz IAWXJVGMIVQGKS-HNNXBMFYSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024522451 717869378 /nfs/dbraw/zinc/86/93/78/717869378.db2.gz GKDXWXBPLRBXMB-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024522451 717869384 /nfs/dbraw/zinc/86/93/84/717869384.db2.gz GKDXWXBPLRBXMB-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCc2ccccc21 ZINC001029904465 724475279 /nfs/dbraw/zinc/47/52/79/724475279.db2.gz WYCCRSTXRHIKEM-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCc2ccccc21 ZINC001029904465 724475282 /nfs/dbraw/zinc/47/52/82/724475282.db2.gz WYCCRSTXRHIKEM-FXAWDEMLSA-N 1 3 341.499 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001029755626 724475689 /nfs/dbraw/zinc/47/56/89/724475689.db2.gz NFSSSDOJVNEMNA-AZUAARDMSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001029755626 724475690 /nfs/dbraw/zinc/47/56/90/724475690.db2.gz NFSSSDOJVNEMNA-AZUAARDMSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001029755389 724475784 /nfs/dbraw/zinc/47/57/84/724475784.db2.gz KZFIXUZQTQWADX-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001029755389 724475786 /nfs/dbraw/zinc/47/57/86/724475786.db2.gz KZFIXUZQTQWADX-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756522 724476276 /nfs/dbraw/zinc/47/62/76/724476276.db2.gz XEXGMRJXAWURBT-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001029756522 724476279 /nfs/dbraw/zinc/47/62/79/724476279.db2.gz XEXGMRJXAWURBT-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024692996 718086912 /nfs/dbraw/zinc/08/69/12/718086912.db2.gz UWWKHYZBYFYMBB-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCF ZINC001024692996 718086915 /nfs/dbraw/zinc/08/69/15/718086915.db2.gz UWWKHYZBYFYMBB-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001027917864 718091706 /nfs/dbraw/zinc/09/17/06/718091706.db2.gz GTQMFQOSNQVFDP-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001027917864 718091709 /nfs/dbraw/zinc/09/17/09/718091709.db2.gz GTQMFQOSNQVFDP-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027919060 718097531 /nfs/dbraw/zinc/09/75/31/718097531.db2.gz SRELXUQNGDZIEA-SJLPKXTDSA-N 1 3 349.544 2.746 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cccs1 ZINC001027919060 718097533 /nfs/dbraw/zinc/09/75/33/718097533.db2.gz SRELXUQNGDZIEA-SJLPKXTDSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921273 718102630 /nfs/dbraw/zinc/10/26/30/718102630.db2.gz OREICDUYKNUEHN-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C)cc1 ZINC001027921273 718102632 /nfs/dbraw/zinc/10/26/32/718102632.db2.gz OREICDUYKNUEHN-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029766787 724483994 /nfs/dbraw/zinc/48/39/94/724483994.db2.gz GNCAGKYJVGNBOK-PKOBYXMFSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029766787 724483998 /nfs/dbraw/zinc/48/39/98/724483998.db2.gz GNCAGKYJVGNBOK-PKOBYXMFSA-N 1 3 331.504 2.616 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981143155 718151732 /nfs/dbraw/zinc/15/17/32/718151732.db2.gz DEERFWFUNMMYTP-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2ccccc2)CC1 ZINC000981143155 718151733 /nfs/dbraw/zinc/15/17/33/718151733.db2.gz DEERFWFUNMMYTP-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981149487 718155754 /nfs/dbraw/zinc/15/57/54/718155754.db2.gz SETQCDWEZXZDKI-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981149487 718155756 /nfs/dbraw/zinc/15/57/56/718155756.db2.gz SETQCDWEZXZDKI-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029767200 724485377 /nfs/dbraw/zinc/48/53/77/724485377.db2.gz MDELUWDNDOSMMO-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029767200 724485381 /nfs/dbraw/zinc/48/53/81/724485381.db2.gz MDELUWDNDOSMMO-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029767205 724485431 /nfs/dbraw/zinc/48/54/31/724485431.db2.gz MDLIUQFUPDKKSW-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029767205 724485435 /nfs/dbraw/zinc/48/54/35/724485435.db2.gz MDLIUQFUPDKKSW-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029767647 724486105 /nfs/dbraw/zinc/48/61/05/724486105.db2.gz WTFMXUPAXPUAGF-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029767647 724486106 /nfs/dbraw/zinc/48/61/06/724486106.db2.gz WTFMXUPAXPUAGF-AZUAARDMSA-N 1 3 345.531 2.924 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800730 718168014 /nfs/dbraw/zinc/16/80/14/718168014.db2.gz HPSZKPNUOASMMS-ZWKOTPCHSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800730 718168015 /nfs/dbraw/zinc/16/80/15/718168015.db2.gz HPSZKPNUOASMMS-ZWKOTPCHSA-N 1 3 349.544 2.603 20 0 EFADHO CCc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001024800930 718168332 /nfs/dbraw/zinc/16/83/32/718168332.db2.gz JOPOHVURSWDPNI-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001024800930 718168334 /nfs/dbraw/zinc/16/83/34/718168334.db2.gz JOPOHVURSWDPNI-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001024800929 718168401 /nfs/dbraw/zinc/16/84/01/718168401.db2.gz JOPOHVURSWDPNI-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001024800929 718168402 /nfs/dbraw/zinc/16/84/02/718168402.db2.gz JOPOHVURSWDPNI-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001024902193 718213609 /nfs/dbraw/zinc/21/36/09/718213609.db2.gz KPYITCXVDAUEHK-MSOLQXFVSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@@H+]1CCCF ZINC000947308845 718225847 /nfs/dbraw/zinc/22/58/47/718225847.db2.gz AOEMULSSESZGHB-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CCCCC2)CC[N@H+]1CCCF ZINC000947308845 718225849 /nfs/dbraw/zinc/22/58/49/718225849.db2.gz AOEMULSSESZGHB-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1F)C1CCC1 ZINC001024982942 718248222 /nfs/dbraw/zinc/24/82/22/718248222.db2.gz GLFHGPXXMWBUHJ-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO C[NH+](C)[C@@H](C(=O)N1CCCC[C@H]1CNCc1ccccc1F)C1CC1 ZINC001024983823 718248782 /nfs/dbraw/zinc/24/87/82/718248782.db2.gz BUSAICVIGMNMLG-PKOBYXMFSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001024984457 718249139 /nfs/dbraw/zinc/24/91/39/718249139.db2.gz GJIIKPBUIGPNDE-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001024984865 718249433 /nfs/dbraw/zinc/24/94/33/718249433.db2.gz JLLKPSAJBDAEDL-KRWDZBQOSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001024985594 718249578 /nfs/dbraw/zinc/24/95/78/718249578.db2.gz QSKXUNOOEZQIIP-SJORKVTESA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001024985360 718249626 /nfs/dbraw/zinc/24/96/26/718249626.db2.gz NZMFLKBPPIEUBH-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001024991850 718250703 /nfs/dbraw/zinc/25/07/03/718250703.db2.gz LOFMWKBKCKRSHS-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001024998634 718255799 /nfs/dbraw/zinc/25/57/99/718255799.db2.gz IADAFGHYXFYEDL-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001024999146 718257607 /nfs/dbraw/zinc/25/76/07/718257607.db2.gz SJENXFIXCUVTSO-IEBWSBKVSA-N 1 3 349.494 2.945 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CCC3)C2)c1 ZINC001029909308 724493700 /nfs/dbraw/zinc/49/37/00/724493700.db2.gz KXQDMNHKQZEEPT-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CCC3)C2)c1 ZINC001029909308 724493702 /nfs/dbraw/zinc/49/37/02/724493702.db2.gz KXQDMNHKQZEEPT-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001029910518 724496732 /nfs/dbraw/zinc/49/67/32/724496732.db2.gz NZAABVPMIJULMZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2)C1 ZINC001029910518 724496736 /nfs/dbraw/zinc/49/67/36/724496736.db2.gz NZAABVPMIJULMZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029910294 724497473 /nfs/dbraw/zinc/49/74/73/724497473.db2.gz DIBSZKMMDXUNCT-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029910294 724497475 /nfs/dbraw/zinc/49/74/75/724497475.db2.gz DIBSZKMMDXUNCT-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001029910711 724497865 /nfs/dbraw/zinc/49/78/65/724497865.db2.gz XBWZRPFLJTVBPW-AEFFLSMTSA-N 1 3 349.544 2.903 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001029910711 724497867 /nfs/dbraw/zinc/49/78/67/724497867.db2.gz XBWZRPFLJTVBPW-AEFFLSMTSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001025073561 718341923 /nfs/dbraw/zinc/34/19/23/718341923.db2.gz LOFMWKBKCKRSHS-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccsc2)C1 ZINC001025085068 718349692 /nfs/dbraw/zinc/34/96/92/718349692.db2.gz KWRRORNEYFEVDK-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CCCCC2)C1 ZINC001025085621 718350438 /nfs/dbraw/zinc/35/04/38/718350438.db2.gz VENSUTDPVRLNIZ-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CC[C@H](C)C1 ZINC001025085603 718351468 /nfs/dbraw/zinc/35/14/68/718351468.db2.gz ULTOCLRDATWEPT-FXAWDEMLSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001025100655 718359487 /nfs/dbraw/zinc/35/94/87/718359487.db2.gz LQAGQFUXHLPQLX-LJQANCHMSA-N 1 3 340.471 2.686 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC(C)CC2)C1 ZINC001025123340 718374729 /nfs/dbraw/zinc/37/47/29/718374729.db2.gz ZCJKFJBGWFNUPK-CTWPCTMYSA-N 1 3 335.536 2.735 20 0 EFADHO O=C(CN1CCCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001025160964 718393289 /nfs/dbraw/zinc/39/32/89/718393289.db2.gz WSJQAWCADYYRLA-QGZVFWFLSA-N 1 3 349.906 2.907 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000981283644 718597673 /nfs/dbraw/zinc/59/76/73/718597673.db2.gz ZHHHBUSKBROWTH-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000981283644 718597675 /nfs/dbraw/zinc/59/76/75/718597675.db2.gz ZHHHBUSKBROWTH-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981332397 718634052 /nfs/dbraw/zinc/63/40/52/718634052.db2.gz WSAUCVNZAZGEPV-IAGOWNOFSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000981332397 718634054 /nfs/dbraw/zinc/63/40/54/718634054.db2.gz WSAUCVNZAZGEPV-IAGOWNOFSA-N 1 3 327.488 2.532 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[N@@H+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332736 718634262 /nfs/dbraw/zinc/63/42/62/718634262.db2.gz FADSGDLKRVZWIV-PMACEKPBSA-N 1 3 341.499 2.548 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[N@H+]([C@H]2CCc3ccccc32)CC1)C1CC1 ZINC000981332736 718634265 /nfs/dbraw/zinc/63/42/65/718634265.db2.gz FADSGDLKRVZWIV-PMACEKPBSA-N 1 3 341.499 2.548 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332771 718634616 /nfs/dbraw/zinc/63/46/16/718634616.db2.gz FODHJQHIGKCYQB-XLIONFOSSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000981332771 718634619 /nfs/dbraw/zinc/63/46/19/718634619.db2.gz FODHJQHIGKCYQB-XLIONFOSSA-N 1 3 343.515 2.931 20 0 EFADHO CN(CCF)C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000985511850 724528907 /nfs/dbraw/zinc/52/89/07/724528907.db2.gz YZKWNZQKSPDPDJ-UHFFFAOYSA-N 1 3 327.488 2.532 20 0 EFADHO CN(CCF)C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000985511850 724528910 /nfs/dbraw/zinc/52/89/10/724528910.db2.gz YZKWNZQKSPDPDJ-UHFFFAOYSA-N 1 3 327.488 2.532 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000981485100 718753659 /nfs/dbraw/zinc/75/36/59/718753659.db2.gz GPOFZSDPAALENW-MSOLQXFVSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000981484887 718753754 /nfs/dbraw/zinc/75/37/54/718753754.db2.gz CKVBXKVSMKOYBA-SJORKVTESA-N 1 3 344.434 2.617 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000981486536 718754859 /nfs/dbraw/zinc/75/48/59/718754859.db2.gz NZQWKZYSJIUGEN-MSOLQXFVSA-N 1 3 340.471 2.520 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000981488239 718756006 /nfs/dbraw/zinc/75/60/06/718756006.db2.gz VRGCFOSZXTYZLY-IRXDYDNUSA-N 1 3 344.434 2.617 20 0 EFADHO CN(C)Cc1ccnc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413926 718881496 /nfs/dbraw/zinc/88/14/96/718881496.db2.gz OELKGOQGHREKKK-CQSZACIVSA-N 1 3 342.409 2.797 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001028115194 718954699 /nfs/dbraw/zinc/95/46/99/718954699.db2.gz ZLURJNDBZWXGQI-GOSISDBHSA-N 1 3 349.544 2.787 20 0 EFADHO CCN1CCC[C@@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001029920731 724548311 /nfs/dbraw/zinc/54/83/11/724548311.db2.gz JFACJKBNYGNHFC-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)N1CCCC1 ZINC000981743197 718994822 /nfs/dbraw/zinc/99/48/22/718994822.db2.gz QTMQUXNSWBVNNQ-CEXWTWQISA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)N1CCCC1 ZINC000981743197 718994829 /nfs/dbraw/zinc/99/48/29/718994829.db2.gz QTMQUXNSWBVNNQ-CEXWTWQISA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@H+](CC2CCCCC2)C3)CCC1 ZINC000981809451 719070294 /nfs/dbraw/zinc/07/02/94/719070294.db2.gz DPAHVSDHBFQLHX-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC3(C2)CCC[N@@H+](CC2CCCCC2)C3)CCC1 ZINC000981809451 719070299 /nfs/dbraw/zinc/07/02/99/719070299.db2.gz DPAHVSDHBFQLHX-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981825388 719086217 /nfs/dbraw/zinc/08/62/17/719086217.db2.gz DVVSAJPDBGSQDX-SFHVURJKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2)N(C)C ZINC000981825388 719086223 /nfs/dbraw/zinc/08/62/23/719086223.db2.gz DVVSAJPDBGSQDX-SFHVURJKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC000981825677 719087497 /nfs/dbraw/zinc/08/74/97/719087497.db2.gz LESJSJHCQJZQIG-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC000981825677 719087499 /nfs/dbraw/zinc/08/74/99/719087499.db2.gz LESJSJHCQJZQIG-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2)N(C)C ZINC000981841550 719111914 /nfs/dbraw/zinc/11/19/14/719111914.db2.gz GDFZYNQCQKFRQD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2)N(C)C ZINC000981841550 719111917 /nfs/dbraw/zinc/11/19/17/719111917.db2.gz GDFZYNQCQKFRQD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000981874030 719154182 /nfs/dbraw/zinc/15/41/82/719154182.db2.gz VSAKRYWDFQSLAX-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCN([C@H]2CCc3ccccc32)CC1)[NH+](C)C ZINC000981898022 719178208 /nfs/dbraw/zinc/17/82/08/719178208.db2.gz FOWCBIPLTMZOAI-VQTJNVASSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981898923 719179211 /nfs/dbraw/zinc/17/92/11/719179211.db2.gz TYFSOSVUMORPDC-HZPDHXFCSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981898923 719179212 /nfs/dbraw/zinc/17/92/12/719179212.db2.gz TYFSOSVUMORPDC-HZPDHXFCSA-N 1 3 345.478 2.542 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627312 719250922 /nfs/dbraw/zinc/25/09/22/719250922.db2.gz INGYTXJGEIDPMJ-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627312 719250924 /nfs/dbraw/zinc/25/09/24/719250924.db2.gz INGYTXJGEIDPMJ-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629529 719253970 /nfs/dbraw/zinc/25/39/70/719253970.db2.gz HXPULRBTKGKJJK-DLBZAZTESA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629529 719253972 /nfs/dbraw/zinc/25/39/72/719253972.db2.gz HXPULRBTKGKJJK-DLBZAZTESA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629532 719254041 /nfs/dbraw/zinc/25/40/41/719254041.db2.gz HXPULRBTKGKJJK-SJORKVTESA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025629532 719254043 /nfs/dbraw/zinc/25/40/43/719254043.db2.gz HXPULRBTKGKJJK-SJORKVTESA-N 1 3 331.504 2.987 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631008 719258867 /nfs/dbraw/zinc/25/88/67/719258867.db2.gz YEHVYOCHRSRQNA-IAGOWNOFSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631008 719258870 /nfs/dbraw/zinc/25/88/70/719258870.db2.gz YEHVYOCHRSRQNA-IAGOWNOFSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025779056 719313542 /nfs/dbraw/zinc/31/35/42/719313542.db2.gz WNKFKUCPXTZRQI-SGWMQEFOSA-N 1 3 347.547 2.732 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001025779056 719313543 /nfs/dbraw/zinc/31/35/43/719313543.db2.gz WNKFKUCPXTZRQI-SGWMQEFOSA-N 1 3 347.547 2.732 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC001019774789 719382947 /nfs/dbraw/zinc/38/29/47/719382947.db2.gz ILFMGNUUJJAFPV-ZWKOTPCHSA-N 1 3 333.451 2.563 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001019774765 719383159 /nfs/dbraw/zinc/38/31/59/719383159.db2.gz HQUPAGKPDKOALX-FQEVSTJZSA-N 1 3 337.467 2.626 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019820688 719391745 /nfs/dbraw/zinc/39/17/45/719391745.db2.gz UMFJWHRGXBCKLR-SFHVURJKSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001019823206 719391873 /nfs/dbraw/zinc/39/18/73/719391873.db2.gz CHCXLILAAXFGPH-ZWKOTPCHSA-N 1 3 349.544 2.930 20 0 EFADHO CC(C)=CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009383 719432584 /nfs/dbraw/zinc/43/25/84/719432584.db2.gz ONJGMTVCJBTFGU-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009383 719432588 /nfs/dbraw/zinc/43/25/88/719432588.db2.gz ONJGMTVCJBTFGU-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000982012069 719435437 /nfs/dbraw/zinc/43/54/37/719435437.db2.gz NQIGVOCRWYSPCD-MRXNPFEDSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC2(C1)CCCN(Cc1ccsc1)C2 ZINC000982012069 719435443 /nfs/dbraw/zinc/43/54/43/719435443.db2.gz NQIGVOCRWYSPCD-MRXNPFEDSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC(C)(C)C)C3)C1 ZINC000982012535 719436586 /nfs/dbraw/zinc/43/65/86/719436586.db2.gz ZBWDUARGPNVADF-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC(C)(C)C)C3)C1 ZINC000982012535 719436589 /nfs/dbraw/zinc/43/65/89/719436589.db2.gz ZBWDUARGPNVADF-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1cccc(C)c1)C2)N(C)C ZINC000982016560 719441726 /nfs/dbraw/zinc/44/17/26/719441726.db2.gz PCARNNCNPAUCNZ-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc(C)c1)C2)N(C)C ZINC000982016560 719441729 /nfs/dbraw/zinc/44/17/29/719441729.db2.gz PCARNNCNPAUCNZ-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020239355 719468781 /nfs/dbraw/zinc/46/87/81/719468781.db2.gz XTVVBYADMGCBIP-KZNAEPCWSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2F)C1 ZINC001020239355 719468784 /nfs/dbraw/zinc/46/87/84/719468784.db2.gz XTVVBYADMGCBIP-KZNAEPCWSA-N 1 3 347.478 2.825 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCCN1CC(F)(F)F ZINC000925834026 719482387 /nfs/dbraw/zinc/48/23/87/719482387.db2.gz FRYWSLGANYUTAI-NUEKZKHPSA-N 1 3 329.410 2.561 20 0 EFADHO C[C@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)N1CCCCCC1 ZINC000982083788 719526777 /nfs/dbraw/zinc/52/67/77/719526777.db2.gz AJMSAUBGMWIHQY-JLAWEPINSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)N1CCCCCC1 ZINC000982083788 719526780 /nfs/dbraw/zinc/52/67/80/719526780.db2.gz AJMSAUBGMWIHQY-JLAWEPINSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000982080858 719544314 /nfs/dbraw/zinc/54/43/14/719544314.db2.gz BXUUQYCSMWKXKY-IRXDYDNUSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000982080858 719544316 /nfs/dbraw/zinc/54/43/16/719544316.db2.gz BXUUQYCSMWKXKY-IRXDYDNUSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038342328 719564700 /nfs/dbraw/zinc/56/47/00/719564700.db2.gz VXOYOIBZTOEYEB-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038342328 719564703 /nfs/dbraw/zinc/56/47/03/719564703.db2.gz VXOYOIBZTOEYEB-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982163536 719607572 /nfs/dbraw/zinc/60/75/72/719607572.db2.gz FGXQWRPKEJOYST-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982163536 719607576 /nfs/dbraw/zinc/60/75/76/719607576.db2.gz FGXQWRPKEJOYST-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC000982163477 719607926 /nfs/dbraw/zinc/60/79/26/719607926.db2.gz CBIPCDMQMPOMIS-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC[C@H](C)F)C2 ZINC000982163477 719607929 /nfs/dbraw/zinc/60/79/29/719607929.db2.gz CBIPCDMQMPOMIS-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163518 719607990 /nfs/dbraw/zinc/60/79/90/719607990.db2.gz DLNUVUNJDLGSJU-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC000982163518 719607993 /nfs/dbraw/zinc/60/79/93/719607993.db2.gz DLNUVUNJDLGSJU-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000982159323 719618104 /nfs/dbraw/zinc/61/81/04/719618104.db2.gz CLZSFMCWZKZWPT-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000982159323 719618108 /nfs/dbraw/zinc/61/81/08/719618108.db2.gz CLZSFMCWZKZWPT-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038353846 719751448 /nfs/dbraw/zinc/75/14/48/719751448.db2.gz PQEBYTKPYZPLLF-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353846 719751453 /nfs/dbraw/zinc/75/14/53/719751453.db2.gz PQEBYTKPYZPLLF-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275413 719773170 /nfs/dbraw/zinc/77/31/70/719773170.db2.gz FNMNSJHZCSUETK-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275413 719773172 /nfs/dbraw/zinc/77/31/72/719773172.db2.gz FNMNSJHZCSUETK-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982276368 719776497 /nfs/dbraw/zinc/77/64/97/719776497.db2.gz ROSZCPNTFLSYDC-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1 ZINC000982276368 719776499 /nfs/dbraw/zinc/77/64/99/719776499.db2.gz ROSZCPNTFLSYDC-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148907 719802822 /nfs/dbraw/zinc/80/28/22/719802822.db2.gz DNYOFXHRMJYASU-KQJLIMQASA-N 1 3 345.531 2.796 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001026148907 719802830 /nfs/dbraw/zinc/80/28/30/719802830.db2.gz DNYOFXHRMJYASU-KQJLIMQASA-N 1 3 345.531 2.796 20 0 EFADHO CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292744 719822840 /nfs/dbraw/zinc/82/28/40/719822840.db2.gz VPLPBNOFYLJZIZ-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3CCC)C[C@@]2(C)C1 ZINC000982292744 719822844 /nfs/dbraw/zinc/82/28/44/719822844.db2.gz VPLPBNOFYLJZIZ-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@]3(C)C2)C1 ZINC000982295721 719840844 /nfs/dbraw/zinc/84/08/44/719840844.db2.gz BRKSCZXJWWDZGN-GXDCEVFISA-N 1 3 347.547 2.543 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@H](C4CC4)N(C)C)C[C@@]3(C)C2)C1 ZINC000982295721 719840851 /nfs/dbraw/zinc/84/08/51/719840851.db2.gz BRKSCZXJWWDZGN-GXDCEVFISA-N 1 3 347.547 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3=CCCCC3)C[C@]2(C)C1)N(C)C ZINC000982306606 719876961 /nfs/dbraw/zinc/87/69/61/719876961.db2.gz VHFVNZVRPXWHFH-NRSPTQNISA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3=CCCCC3)C[C@]2(C)C1)N(C)C ZINC000982306606 719876967 /nfs/dbraw/zinc/87/69/67/719876967.db2.gz VHFVNZVRPXWHFH-NRSPTQNISA-N 1 3 347.547 2.997 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCF ZINC001028251747 719877174 /nfs/dbraw/zinc/87/71/74/719877174.db2.gz KZHWVOMBCPUENJ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001028251747 719877182 /nfs/dbraw/zinc/87/71/82/719877182.db2.gz KZHWVOMBCPUENJ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCC(C)(C)C)C[C@]2(C)C1)N(C)C ZINC000982306750 719877888 /nfs/dbraw/zinc/87/78/88/719877888.db2.gz XMEQCXBOUQKJQZ-AHRSYUTCSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC(C)(C)C)C[C@]2(C)C1)N(C)C ZINC000982306750 719877893 /nfs/dbraw/zinc/87/78/93/719877893.db2.gz XMEQCXBOUQKJQZ-AHRSYUTCSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429699 720051070 /nfs/dbraw/zinc/05/10/70/720051070.db2.gz RWHCJXYAOOITDV-BGYRXZFFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCC3)C[C@@]2(C)C1 ZINC000982429699 720051074 /nfs/dbraw/zinc/05/10/74/720051074.db2.gz RWHCJXYAOOITDV-BGYRXZFFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH2+]CCC3CC3)[C@H]2C1)N1CCCCC1 ZINC001026268043 720080061 /nfs/dbraw/zinc/08/00/61/720080061.db2.gz VCXXPXTZQAPSLK-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]12 ZINC001026267891 720080187 /nfs/dbraw/zinc/08/01/87/720080187.db2.gz RWVNGBHZTGOQPK-KZNAEPCWSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986353842 724649128 /nfs/dbraw/zinc/64/91/28/724649128.db2.gz JONACEFVNFRCBH-HNAYVOBHSA-N 1 3 347.478 2.719 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986354666 724649421 /nfs/dbraw/zinc/64/94/21/724649421.db2.gz KXGXTHHJTRFEHF-KXBFYZLASA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354555 724649481 /nfs/dbraw/zinc/64/94/81/724649481.db2.gz KGRIRIKZEQNZFV-KSSFIOAISA-N 1 3 349.906 2.903 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCCC4)[C@H]3C2)CCC1 ZINC001026281880 720120992 /nfs/dbraw/zinc/12/09/92/720120992.db2.gz KAEUBYXYVSQYNK-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]Cc4ccsc4)[C@@H]3C2)CCC1 ZINC001026282694 720129713 /nfs/dbraw/zinc/12/97/13/720129713.db2.gz WMWCDXZCUVEXJE-BBWFWOEESA-N 1 3 347.528 2.559 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC4=CCCCC4)[C@@H]3C2)CCC1 ZINC001026283163 720130251 /nfs/dbraw/zinc/13/02/51/720130251.db2.gz CQQIIMZVNAFZTJ-OTWHNJEPSA-N 1 3 345.531 2.798 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c(C)s1 ZINC000986358209 724651259 /nfs/dbraw/zinc/65/12/59/724651259.db2.gz XGJZEBIDYSYTNH-RDTXWAMCSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c(C)s1 ZINC000986358208 724651324 /nfs/dbraw/zinc/65/13/24/724651324.db2.gz XGJZEBIDYSYTNH-KSSFIOAISA-N 1 3 349.544 2.928 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c1 ZINC000986358072 724651387 /nfs/dbraw/zinc/65/13/87/724651387.db2.gz WHVYWVBEMJUZLD-VQIMIIECSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351576 724659155 /nfs/dbraw/zinc/65/91/55/724659155.db2.gz CRUAKCREOIIBPP-KDOFPFPSSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1 ZINC000986351015 724659201 /nfs/dbraw/zinc/65/92/01/724659201.db2.gz BWMHXYOICHWNSZ-VQIMIIECSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351575 724659230 /nfs/dbraw/zinc/65/92/30/724659230.db2.gz CRUAKCREOIIBPP-KBXCAEBGSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986351594 724659524 /nfs/dbraw/zinc/65/95/24/724659524.db2.gz DAQOZDYDVJOOBZ-KXBFYZLASA-N 1 3 347.478 2.697 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351577 724659553 /nfs/dbraw/zinc/65/95/53/724659553.db2.gz CRUAKCREOIIBPP-KSSFIOAISA-N 1 3 349.906 2.903 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cs1 ZINC000986351603 724659736 /nfs/dbraw/zinc/65/97/36/724659736.db2.gz DHBFFSFMJNQXGO-PBHICJAKSA-N 1 3 335.517 2.620 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001029829477 724665409 /nfs/dbraw/zinc/66/54/09/724665409.db2.gz GECKDFSGFPDYMR-AZUAARDMSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001029829477 724665411 /nfs/dbraw/zinc/66/54/11/724665411.db2.gz GECKDFSGFPDYMR-AZUAARDMSA-N 1 3 345.531 2.862 20 0 EFADHO CCCc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001028317078 720346642 /nfs/dbraw/zinc/34/66/42/720346642.db2.gz WSMPHRGAFMADEG-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001028317078 720346645 /nfs/dbraw/zinc/34/66/45/720346645.db2.gz WSMPHRGAFMADEG-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC2)c1 ZINC001028333385 720373506 /nfs/dbraw/zinc/37/35/06/720373506.db2.gz LLADWFPHTYIPIO-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)c1 ZINC001028333385 720373509 /nfs/dbraw/zinc/37/35/09/720373509.db2.gz LLADWFPHTYIPIO-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333025 720373534 /nfs/dbraw/zinc/37/35/34/720373534.db2.gz BIRRNCJXGNRAMM-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333025 720373538 /nfs/dbraw/zinc/37/35/38/720373538.db2.gz BIRRNCJXGNRAMM-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC1=CC[N@H+](C)CC1 ZINC000893304650 720527332 /nfs/dbraw/zinc/52/73/32/720527332.db2.gz NWGUJEDPLGQZRP-UHFFFAOYSA-N 1 3 328.382 2.518 20 0 EFADHO CN(C)c1nc(C(F)(F)F)ccc1CNCC1=CC[N@@H+](C)CC1 ZINC000893304650 720527333 /nfs/dbraw/zinc/52/73/33/720527333.db2.gz NWGUJEDPLGQZRP-UHFFFAOYSA-N 1 3 328.382 2.518 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C)cs1 ZINC000947685575 720553838 /nfs/dbraw/zinc/55/38/38/720553838.db2.gz NRVBXMCLUOHMHW-KDOFPFPSSA-N 1 3 349.544 2.867 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001026426313 720557381 /nfs/dbraw/zinc/55/73/81/720557381.db2.gz JZPGSZHDVLANGR-QXAKKESOSA-N 1 3 329.488 2.598 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]12 ZINC001026426312 720557521 /nfs/dbraw/zinc/55/75/21/720557521.db2.gz JZPGSZHDVLANGR-NZSAHSFTSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001026427375 720559051 /nfs/dbraw/zinc/55/90/51/720559051.db2.gz MQXCGAZSAQJNEN-YSIASYRMSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001026427372 720559063 /nfs/dbraw/zinc/55/90/63/720559063.db2.gz MQXCGAZSAQJNEN-DFQSSKMNSA-N 1 3 341.499 2.598 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839696 724687956 /nfs/dbraw/zinc/68/79/56/724687956.db2.gz GUEVSGMNIWGVEB-MJGOQNOKSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001029839696 724687957 /nfs/dbraw/zinc/68/79/57/724687957.db2.gz GUEVSGMNIWGVEB-MJGOQNOKSA-N 1 3 333.520 2.609 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001029840455 724690073 /nfs/dbraw/zinc/69/00/73/724690073.db2.gz ZJGUUBBDKGEQNZ-RDJZCZTQSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001029840455 724690075 /nfs/dbraw/zinc/69/00/75/724690075.db2.gz ZJGUUBBDKGEQNZ-RDJZCZTQSA-N 1 3 349.544 2.679 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CCCCC3)C2)C1 ZINC001029840165 724690428 /nfs/dbraw/zinc/69/04/28/724690428.db2.gz SGOHQBKOVYLDDV-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CCCCC3)C2)C1 ZINC001029840165 724690430 /nfs/dbraw/zinc/69/04/30/724690430.db2.gz SGOHQBKOVYLDDV-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001029842577 724695377 /nfs/dbraw/zinc/69/53/77/724695377.db2.gz SMBNUZHOKLIZCJ-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001029842577 724695379 /nfs/dbraw/zinc/69/53/79/724695379.db2.gz SMBNUZHOKLIZCJ-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029843378 724702313 /nfs/dbraw/zinc/70/23/13/724702313.db2.gz ITBPRUAAWOHPPV-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029843378 724702314 /nfs/dbraw/zinc/70/23/14/724702314.db2.gz ITBPRUAAWOHPPV-APWZRJJASA-N 1 3 349.494 2.755 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccccc3)CC2)C1 ZINC001026560658 720747836 /nfs/dbraw/zinc/74/78/36/720747836.db2.gz AJXYVXCBHMHSPO-IVMQYODDSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001026560952 720748805 /nfs/dbraw/zinc/74/88/05/720748805.db2.gz LBFXTIGVFWKVPU-ODIFPOPNSA-N 1 3 335.517 2.749 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001026560911 720748896 /nfs/dbraw/zinc/74/88/96/720748896.db2.gz JKIXPKQSHSBHIB-KKXNLOMOSA-N 1 3 343.515 2.996 20 0 EFADHO CC(C)[NH2+]C1CCC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001026559917 720752828 /nfs/dbraw/zinc/75/28/28/720752828.db2.gz WJKWWPWYNIVUKT-JMLCCBQJSA-N 1 3 327.488 2.624 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026590942 720785909 /nfs/dbraw/zinc/78/59/09/720785909.db2.gz MYGSCPPICBRRJK-OFLPRAFFSA-N 1 3 327.488 2.628 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029844178 724707184 /nfs/dbraw/zinc/70/71/84/724707184.db2.gz XNGAKOBRGICIPA-OALUTQOASA-N 1 3 349.494 2.777 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029844178 724707185 /nfs/dbraw/zinc/70/71/85/724707185.db2.gz XNGAKOBRGICIPA-OALUTQOASA-N 1 3 349.494 2.777 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CCC([NH2+]CC3CC3)CC2)c1 ZINC001026609743 720819440 /nfs/dbraw/zinc/81/94/40/720819440.db2.gz SSLGVFYGBSVNQL-UHFFFAOYSA-N 1 3 329.488 2.789 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCC(C)(C)C)C[C@]2(C)C1)N(C)C ZINC000982561672 720837702 /nfs/dbraw/zinc/83/77/02/720837702.db2.gz XMEQCXBOUQKJQZ-FFZOFVMBSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CCC(C)(C)C)C[C@]2(C)C1)N(C)C ZINC000982561672 720837708 /nfs/dbraw/zinc/83/77/08/720837708.db2.gz XMEQCXBOUQKJQZ-FFZOFVMBSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001008510413 720852738 /nfs/dbraw/zinc/85/27/38/720852738.db2.gz PQKYDCXVHDIJJO-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001008510413 720852748 /nfs/dbraw/zinc/85/27/48/720852748.db2.gz PQKYDCXVHDIJJO-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617017 720951827 /nfs/dbraw/zinc/95/18/27/720951827.db2.gz KEJJXUOOUBSTJD-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982617017 720951831 /nfs/dbraw/zinc/95/18/31/720951831.db2.gz KEJJXUOOUBSTJD-YSIASYRMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028537052 720986473 /nfs/dbraw/zinc/98/64/73/720986473.db2.gz GIRVMZVUIGDQMY-FUHWJXTLSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028537052 720986476 /nfs/dbraw/zinc/98/64/76/720986476.db2.gz GIRVMZVUIGDQMY-FUHWJXTLSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001028537940 720987888 /nfs/dbraw/zinc/98/78/88/720987888.db2.gz VQPIVVLXHLVTNS-WMZOPIPTSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001028537940 720987890 /nfs/dbraw/zinc/98/78/90/720987890.db2.gz VQPIVVLXHLVTNS-WMZOPIPTSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028537810 720988047 /nfs/dbraw/zinc/98/80/47/720988047.db2.gz SPEOCVNFZDJUBO-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028537810 720988049 /nfs/dbraw/zinc/98/80/49/720988049.db2.gz SPEOCVNFZDJUBO-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028537919 720988196 /nfs/dbraw/zinc/98/81/96/720988196.db2.gz VLAGAIIETGMAQQ-HKUYNNGSSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028537919 720988197 /nfs/dbraw/zinc/98/81/97/720988197.db2.gz VLAGAIIETGMAQQ-HKUYNNGSSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026732203 720995246 /nfs/dbraw/zinc/99/52/46/720995246.db2.gz AHEKFXHMQQWGSF-QAPCUYQASA-N 1 3 349.906 2.681 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001026734875 721010528 /nfs/dbraw/zinc/01/05/28/721010528.db2.gz VWBOIBUYHJFRCB-ZWKOTPCHSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001029946981 724729149 /nfs/dbraw/zinc/72/91/49/724729149.db2.gz CFPRGPLDOYBPMA-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001029946981 724729151 /nfs/dbraw/zinc/72/91/51/724729151.db2.gz CFPRGPLDOYBPMA-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2F)CC1 ZINC001029947571 724729931 /nfs/dbraw/zinc/72/99/31/724729931.db2.gz RSPMVQJNSOHOFT-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2F)CC1 ZINC001029947571 724729934 /nfs/dbraw/zinc/72/99/34/724729934.db2.gz RSPMVQJNSOHOFT-LJQANCHMSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001029947844 724730288 /nfs/dbraw/zinc/73/02/88/724730288.db2.gz YOVAWMBROOWHFW-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001029947844 724730290 /nfs/dbraw/zinc/73/02/90/724730290.db2.gz YOVAWMBROOWHFW-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028579762 721101024 /nfs/dbraw/zinc/10/10/24/721101024.db2.gz IJAVZIYOLNQRJF-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028579762 721101029 /nfs/dbraw/zinc/10/10/29/721101029.db2.gz IJAVZIYOLNQRJF-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028579927 721102191 /nfs/dbraw/zinc/10/21/91/721102191.db2.gz LTRMQCFIMHEPCM-RBUKOAKNSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028579927 721102196 /nfs/dbraw/zinc/10/21/96/721102196.db2.gz LTRMQCFIMHEPCM-RBUKOAKNSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028580350 721109545 /nfs/dbraw/zinc/10/95/45/721109545.db2.gz URVZSAFSSBOIFR-WMZOPIPTSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028580350 721109547 /nfs/dbraw/zinc/10/95/47/721109547.db2.gz URVZSAFSSBOIFR-WMZOPIPTSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028580432 721110182 /nfs/dbraw/zinc/11/01/82/721110182.db2.gz WCFLZBFNJCYHRZ-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028580432 721110184 /nfs/dbraw/zinc/11/01/84/721110184.db2.gz WCFLZBFNJCYHRZ-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028580430 721110225 /nfs/dbraw/zinc/11/02/25/721110225.db2.gz WCFLZBFNJCYHRZ-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028580430 721110227 /nfs/dbraw/zinc/11/02/27/721110227.db2.gz WCFLZBFNJCYHRZ-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580484 721111036 /nfs/dbraw/zinc/11/10/36/721111036.db2.gz XBDCHEASNPPQSO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028580484 721111040 /nfs/dbraw/zinc/11/10/40/721111040.db2.gz XBDCHEASNPPQSO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587807 721180820 /nfs/dbraw/zinc/18/08/20/721180820.db2.gz QELABLSVRZEWIZ-FUHWJXTLSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587807 721180822 /nfs/dbraw/zinc/18/08/22/721180822.db2.gz QELABLSVRZEWIZ-FUHWJXTLSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC000985639696 724742337 /nfs/dbraw/zinc/74/23/37/724742337.db2.gz VTDKKPLSBOQRQN-MRXNPFEDSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1)N(C)C ZINC000985639696 724742339 /nfs/dbraw/zinc/74/23/39/724742339.db2.gz VTDKKPLSBOQRQN-MRXNPFEDSA-N 1 3 345.478 2.541 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026884590 721293234 /nfs/dbraw/zinc/29/32/34/721293234.db2.gz ADGVNLSZFSXOSH-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001026884935 721293668 /nfs/dbraw/zinc/29/36/68/721293668.db2.gz DKQXYPMZJKFXDY-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]CC3CCC4(CC4)CC3)C2)CCC1 ZINC001026885807 721294487 /nfs/dbraw/zinc/29/44/87/721294487.db2.gz MTILTNHSRXYBBZ-GOSISDBHSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCc4ccccc43)C2)CCC1 ZINC001026885640 721294578 /nfs/dbraw/zinc/29/45/78/721294578.db2.gz KKPGJOPRQAOFBX-APWZRJJASA-N 1 3 341.499 2.596 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1F ZINC001026889043 721297408 /nfs/dbraw/zinc/29/74/08/721297408.db2.gz REKSVLSXMBPVPP-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001026889498 721298192 /nfs/dbraw/zinc/29/81/92/721298192.db2.gz XHRPIOXDZCMVPD-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001026890525 721299556 /nfs/dbraw/zinc/29/95/56/721299556.db2.gz JXGLIFXGXDWMLG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890353 721299666 /nfs/dbraw/zinc/29/96/66/721299666.db2.gz JBQAAYKHSOGVGG-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831437 721303628 /nfs/dbraw/zinc/30/36/28/721303628.db2.gz LFLOFDUEHIRWME-DGQTTZFYSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1 ZINC000982831437 721303632 /nfs/dbraw/zinc/30/36/32/721303632.db2.gz LFLOFDUEHIRWME-DGQTTZFYSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886395 721305031 /nfs/dbraw/zinc/30/50/31/721305031.db2.gz VXTBNWMAXSSFEU-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888377 721308264 /nfs/dbraw/zinc/30/82/64/721308264.db2.gz FCBONZBLPDWYKE-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC001026888641 721309300 /nfs/dbraw/zinc/30/93/00/721309300.db2.gz JRJXVJUSZPIRHG-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001026900773 721312125 /nfs/dbraw/zinc/31/21/25/721312125.db2.gz COOMSFNGCNSKII-ICSRJNTNSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901195 721312219 /nfs/dbraw/zinc/31/22/19/721312219.db2.gz KMYVLVYUPOHRTF-LPHOPBHVSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cs1 ZINC001026901505 721312483 /nfs/dbraw/zinc/31/24/83/721312483.db2.gz QZCXXPKQRMZYKK-RDJZCZTQSA-N 1 3 337.533 2.581 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901411 721312726 /nfs/dbraw/zinc/31/27/26/721312726.db2.gz OWMMXEJBLFOVFB-MJGOQNOKSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC001026901958 721313215 /nfs/dbraw/zinc/31/32/15/721313215.db2.gz WPVYXWKNECLJLH-MJGOQNOKSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985646856 724751735 /nfs/dbraw/zinc/75/17/35/724751735.db2.gz LZNKHTMHQOKUMR-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000985646856 724751738 /nfs/dbraw/zinc/75/17/38/724751738.db2.gz LZNKHTMHQOKUMR-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000985647001 724752486 /nfs/dbraw/zinc/75/24/86/724752486.db2.gz MYZKBYVLVJYVHL-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000985647001 724752487 /nfs/dbraw/zinc/75/24/87/724752487.db2.gz MYZKBYVLVJYVHL-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001026916567 721343645 /nfs/dbraw/zinc/34/36/45/721343645.db2.gz KJXDUKSGGXDYPP-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001026916416 721343762 /nfs/dbraw/zinc/34/37/62/721343762.db2.gz HNUGEDMLLUHXKO-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000974757139 721393742 /nfs/dbraw/zinc/39/37/42/721393742.db2.gz FZRDYOLTEYWFSW-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000974757139 721393744 /nfs/dbraw/zinc/39/37/44/721393744.db2.gz FZRDYOLTEYWFSW-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974866585 721487384 /nfs/dbraw/zinc/48/73/84/721487384.db2.gz ZBADYEYQEKYVLL-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974866585 721487385 /nfs/dbraw/zinc/48/73/85/721487385.db2.gz ZBADYEYQEKYVLL-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852581 724773565 /nfs/dbraw/zinc/77/35/65/724773565.db2.gz FIYHLKLXZIOIHC-IAGOWNOFSA-N 1 3 340.471 2.802 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852581 724773567 /nfs/dbraw/zinc/77/35/67/724773567.db2.gz FIYHLKLXZIOIHC-IAGOWNOFSA-N 1 3 340.471 2.802 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)s1 ZINC000985674748 724784019 /nfs/dbraw/zinc/78/40/19/724784019.db2.gz GYXHFKYRGZCFNW-UHFFFAOYSA-N 1 3 346.500 2.754 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)s1 ZINC000985674748 724784020 /nfs/dbraw/zinc/78/40/20/724784020.db2.gz GYXHFKYRGZCFNW-UHFFFAOYSA-N 1 3 346.500 2.754 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675939 724785988 /nfs/dbraw/zinc/78/59/88/724785988.db2.gz ZBRMFBDASBYWCU-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675939 724785990 /nfs/dbraw/zinc/78/59/90/724785990.db2.gz ZBRMFBDASBYWCU-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924958312 721887609 /nfs/dbraw/zinc/88/76/09/721887609.db2.gz DZYUEJAGFJAGJL-KLAILNCOSA-N 1 3 339.524 3.000 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780702 721985541 /nfs/dbraw/zinc/98/55/41/721985541.db2.gz MMWFIDRBJBCFBL-HZPDHXFCSA-N 1 3 347.478 2.667 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780701 721985583 /nfs/dbraw/zinc/98/55/83/721985583.db2.gz MMWFIDRBJBCFBL-HOTGVXAUSA-N 1 3 347.478 2.667 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894299264 722003608 /nfs/dbraw/zinc/00/36/08/722003608.db2.gz LESROAPFAVQMMJ-IPFAQRCESA-N 1 3 330.472 2.622 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894299264 722003609 /nfs/dbraw/zinc/00/36/09/722003609.db2.gz LESROAPFAVQMMJ-IPFAQRCESA-N 1 3 330.472 2.622 20 0 EFADHO C[C@@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000261921511 722010097 /nfs/dbraw/zinc/01/00/97/722010097.db2.gz XRQNTMSCTZYRJD-QGZVFWFLSA-N 1 3 329.488 2.771 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccsc3)CC2)CC1 ZINC000985713335 724820018 /nfs/dbraw/zinc/82/00/18/724820018.db2.gz STDAWAUFXRKUKH-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO CC1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccsc3)CC2)CC1 ZINC000985713335 724820022 /nfs/dbraw/zinc/82/00/22/724820022.db2.gz STDAWAUFXRKUKH-UHFFFAOYSA-N 1 3 349.544 2.903 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028845146 722043351 /nfs/dbraw/zinc/04/33/51/722043351.db2.gz GXUITSIZBARTTE-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028845146 722043353 /nfs/dbraw/zinc/04/33/53/722043353.db2.gz GXUITSIZBARTTE-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001028846237 722045013 /nfs/dbraw/zinc/04/50/13/722045013.db2.gz ZWLSVRURBCACJP-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001028846237 722045015 /nfs/dbraw/zinc/04/50/15/722045015.db2.gz ZWLSVRURBCACJP-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870807 722062660 /nfs/dbraw/zinc/06/26/60/722062660.db2.gz WLMOMGIPUPFQHC-SJLPKXTDSA-N 1 3 335.467 2.548 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028918388 722095815 /nfs/dbraw/zinc/09/58/15/722095815.db2.gz GVFFVKCVTDKEOW-HYHHROLSSA-N 1 3 341.927 2.832 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028918388 722095818 /nfs/dbraw/zinc/09/58/18/722095818.db2.gz GVFFVKCVTDKEOW-HYHHROLSSA-N 1 3 341.927 2.832 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028919415 722097053 /nfs/dbraw/zinc/09/70/53/722097053.db2.gz WKASTGZCGYVAQG-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028919415 722097054 /nfs/dbraw/zinc/09/70/54/722097054.db2.gz WKASTGZCGYVAQG-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO COc1ccc(OC(F)F)c(CN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261946494 722130328 /nfs/dbraw/zinc/13/03/28/722130328.db2.gz FLFZIKZHVBZNOH-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000806 722617142 /nfs/dbraw/zinc/61/71/42/722617142.db2.gz KFEJKUNCOTZJMN-FUHWJXTLSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000806 722617145 /nfs/dbraw/zinc/61/71/45/722617145.db2.gz KFEJKUNCOTZJMN-FUHWJXTLSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000950 722617546 /nfs/dbraw/zinc/61/75/46/722617546.db2.gz MNMOQCGYQXKSJP-HOTGVXAUSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000950 722617548 /nfs/dbraw/zinc/61/75/48/722617548.db2.gz MNMOQCGYQXKSJP-HOTGVXAUSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000475 722617732 /nfs/dbraw/zinc/61/77/32/722617732.db2.gz FNEXKLBZLKAUSP-FUHWJXTLSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000475 722617733 /nfs/dbraw/zinc/61/77/33/722617733.db2.gz FNEXKLBZLKAUSP-FUHWJXTLSA-N 1 3 331.504 2.846 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCN(C/C=C\Cl)C2)c1 ZINC001029000510 722617973 /nfs/dbraw/zinc/61/79/73/722617973.db2.gz GECIVKMVWPZIEI-LWAXHKBTSA-N 1 3 335.879 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001029001182 722618247 /nfs/dbraw/zinc/61/82/47/722618247.db2.gz QTCIEPKCWLMYBI-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001029001182 722618248 /nfs/dbraw/zinc/61/82/48/722618248.db2.gz QTCIEPKCWLMYBI-GOSISDBHSA-N 1 3 329.488 2.600 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001317 722618435 /nfs/dbraw/zinc/61/84/35/722618435.db2.gz UWBUCLNVJKEALI-NVXWUHKLSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001317 722618437 /nfs/dbraw/zinc/61/84/37/722618437.db2.gz UWBUCLNVJKEALI-NVXWUHKLSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001316 722618486 /nfs/dbraw/zinc/61/84/86/722618486.db2.gz UWBUCLNVJKEALI-DOTOQJQBSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029001316 722618487 /nfs/dbraw/zinc/61/84/87/722618487.db2.gz UWBUCLNVJKEALI-DOTOQJQBSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066488 722727251 /nfs/dbraw/zinc/72/72/51/722727251.db2.gz VKMIDXDWFJJPLT-XLIONFOSSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000894455154 722742450 /nfs/dbraw/zinc/74/24/50/722742450.db2.gz FWDYRNQXLAWEFV-QQFBHYJXSA-N 1 3 325.497 2.610 20 0 EFADHO COCCOC[C@@H](C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000894554381 722781170 /nfs/dbraw/zinc/78/11/70/722781170.db2.gz ANEHXBLXXYWSKO-UYAOXDASSA-N 1 3 334.504 2.930 20 0 EFADHO COC(=O)[C@H](C)Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000894624933 722801342 /nfs/dbraw/zinc/80/13/42/722801342.db2.gz XMXLVSSCHRJKKM-OXJNMPFZSA-N 1 3 346.471 2.545 20 0 EFADHO COC(=O)[C@H](C)Oc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000894624933 722801344 /nfs/dbraw/zinc/80/13/44/722801344.db2.gz XMXLVSSCHRJKKM-OXJNMPFZSA-N 1 3 346.471 2.545 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000983662656 722846999 /nfs/dbraw/zinc/84/69/99/722846999.db2.gz SWPYQCBBLNNJTD-WDSOQIARSA-N 1 3 347.547 2.924 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)N1CCCCC1 ZINC000983673018 722857005 /nfs/dbraw/zinc/85/70/05/722857005.db2.gz ADPBMXBLXZZXJZ-IYARVYRRSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107477 722877984 /nfs/dbraw/zinc/87/79/84/722877984.db2.gz OCOXFVNDSORIBV-RDTXWAMCSA-N 1 3 349.544 2.805 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001029111242 722883307 /nfs/dbraw/zinc/88/33/07/722883307.db2.gz DZGHXXBCIXLMGH-DNVCBOLYSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029146980 722925263 /nfs/dbraw/zinc/92/52/63/722925263.db2.gz LTAQOBISRAUJQO-ZWKOTPCHSA-N 1 3 343.515 2.745 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(OC)cc3C)CC2)CC1 ZINC000894979554 723042583 /nfs/dbraw/zinc/04/25/83/723042583.db2.gz XEZDMXWRPCPFAP-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(OC)cc3C)CC2)CC1 ZINC000894979554 723042584 /nfs/dbraw/zinc/04/25/84/723042584.db2.gz XEZDMXWRPCPFAP-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(SC)o3)CC2)CC1 ZINC000895034249 723055988 /nfs/dbraw/zinc/05/59/88/723055988.db2.gz PZPKERJMDLWXHG-UHFFFAOYSA-N 1 3 337.533 2.994 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(SC)o3)CC2)CC1 ZINC000895034249 723055989 /nfs/dbraw/zinc/05/59/89/723055989.db2.gz PZPKERJMDLWXHG-UHFFFAOYSA-N 1 3 337.533 2.994 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(SC)o3)CC2)CC1 ZINC000895034249 723055991 /nfs/dbraw/zinc/05/59/91/723055991.db2.gz PZPKERJMDLWXHG-UHFFFAOYSA-N 1 3 337.533 2.994 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000895943194 723066300 /nfs/dbraw/zinc/06/63/00/723066300.db2.gz VQZCLNIDDBXDMR-APWZRJJASA-N 1 3 347.503 2.581 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000895943194 723066303 /nfs/dbraw/zinc/06/63/03/723066303.db2.gz VQZCLNIDDBXDMR-APWZRJJASA-N 1 3 347.503 2.581 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029306273 723321278 /nfs/dbraw/zinc/32/12/78/723321278.db2.gz NTTVETBUVXCZNQ-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029306273 723321280 /nfs/dbraw/zinc/32/12/80/723321280.db2.gz NTTVETBUVXCZNQ-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000896520199 723337243 /nfs/dbraw/zinc/33/72/43/723337243.db2.gz AZJYEYHKJFMNQH-KRWDZBQOSA-N 1 3 325.456 2.939 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896520199 723337250 /nfs/dbraw/zinc/33/72/50/723337250.db2.gz AZJYEYHKJFMNQH-KRWDZBQOSA-N 1 3 325.456 2.939 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(CC)CC ZINC001029330383 723363905 /nfs/dbraw/zinc/36/39/05/723363905.db2.gz MQVQUDLBAGZHHR-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001029330383 723363910 /nfs/dbraw/zinc/36/39/10/723363910.db2.gz MQVQUDLBAGZHHR-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC000939210224 728817905 /nfs/dbraw/zinc/81/79/05/728817905.db2.gz MHSRMMFJNJGQET-HNAYVOBHSA-N 1 3 340.471 2.712 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000896626441 723407038 /nfs/dbraw/zinc/40/70/38/723407038.db2.gz VNEYYNULLFIWKD-IBGZPJMESA-N 1 3 347.503 2.535 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000896657610 723427156 /nfs/dbraw/zinc/42/71/56/723427156.db2.gz MGVANVNQWNOBHF-MAUKXSAKSA-N 1 3 349.519 2.827 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000896657613 723427277 /nfs/dbraw/zinc/42/72/77/723427277.db2.gz MGVANVNQWNOBHF-YJBOKZPZSA-N 1 3 349.519 2.827 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000896742385 723453084 /nfs/dbraw/zinc/45/30/84/723453084.db2.gz MRWAJEZVIJQTNE-HKUYNNGSSA-N 1 3 347.503 2.677 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756972 723465773 /nfs/dbraw/zinc/46/57/73/723465773.db2.gz VBQODWFPLJIJLH-APWZRJJASA-N 1 3 347.503 2.535 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC000896756972 723465775 /nfs/dbraw/zinc/46/57/75/723465775.db2.gz VBQODWFPLJIJLH-APWZRJJASA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444880 723469421 /nfs/dbraw/zinc/46/94/21/723469421.db2.gz PWEDLYUTDATTSF-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444880 723469424 /nfs/dbraw/zinc/46/94/24/723469424.db2.gz PWEDLYUTDATTSF-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000984798577 723494063 /nfs/dbraw/zinc/49/40/63/723494063.db2.gz ADWRURKXPZRWSN-NSISKUIASA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC000984800086 723494475 /nfs/dbraw/zinc/49/44/75/723494475.db2.gz MUZRPBINJYAKST-RCJHGTSTSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC000984799825 723494595 /nfs/dbraw/zinc/49/45/95/723494595.db2.gz KWYWNHQAMOEAIC-RCJHGTSTSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2Cl)C1 ZINC000984799798 723494641 /nfs/dbraw/zinc/49/46/41/723494641.db2.gz KCBRUAYKWPBBSN-ZOBUZTSGSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC000984800954 723494910 /nfs/dbraw/zinc/49/49/10/723494910.db2.gz VLEFFDQKXHFFBD-ATZDWAIDSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC000984801009 723495153 /nfs/dbraw/zinc/49/51/53/723495153.db2.gz WEAWERLMWCAYOP-YWTNHNAXSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC000984804515 723495832 /nfs/dbraw/zinc/49/58/32/723495832.db2.gz NSVCVSSPJUOFIY-ZVZYQTTQSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC000984804195 723496053 /nfs/dbraw/zinc/49/60/53/723496053.db2.gz MSBSLKWVGKLVQS-ZHALLVOQSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000984804974 723496406 /nfs/dbraw/zinc/49/64/06/723496406.db2.gz QRFNFHZJUMQIQW-BHIYHBOVSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000984806458 723496653 /nfs/dbraw/zinc/49/66/53/723496653.db2.gz YALBDOARAKKRQP-YVWKXTFCSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC000984802838 723500707 /nfs/dbraw/zinc/50/07/07/723500707.db2.gz CUQFGZLZPPQYTL-YKTARERQSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000984887647 723537216 /nfs/dbraw/zinc/53/72/16/723537216.db2.gz KQOXDDWQOVKAMK-KZNAEPCWSA-N 1 3 349.544 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1C[C@@H](C[NH2+]CC2CC(C)C2)C1 ZINC000984888272 723537724 /nfs/dbraw/zinc/53/77/24/723537724.db2.gz SBIJACOCGNBANV-LKIAZTKLSA-N 1 3 335.536 2.780 20 0 EFADHO O[C@@H](CN(Cc1ccc2c(c1)CCO2)C1CCCC1)C[NH+]1CCCC1 ZINC000728115266 723580724 /nfs/dbraw/zinc/58/07/24/723580724.db2.gz JPYXKPBYFWZNMC-HXUWFJFHSA-N 1 3 344.499 2.823 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N1CCCCCC1 ZINC001029503236 723580810 /nfs/dbraw/zinc/58/08/10/723580810.db2.gz NJBIZRDPXWUVJS-YTQUADARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N1CCCCCC1 ZINC001029503236 723580811 /nfs/dbraw/zinc/58/08/11/723580811.db2.gz NJBIZRDPXWUVJS-YTQUADARSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2C)C1 ZINC000985074053 723817488 /nfs/dbraw/zinc/81/74/88/723817488.db2.gz PRCNMMWEYYJQGJ-XIRDDKMYSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC000985073906 723817556 /nfs/dbraw/zinc/81/75/56/723817556.db2.gz NNUOJIAVQRCNPU-SUYBPPKGSA-N 1 3 344.434 2.645 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2)C1 ZINC000985074616 723817907 /nfs/dbraw/zinc/81/79/07/723817907.db2.gz YPOJIRSGZSEGGU-FRFSOERESA-N 1 3 326.444 2.506 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985148387 723885597 /nfs/dbraw/zinc/88/55/97/723885597.db2.gz HZMVFBFMJTYNDP-CAMMJAKZSA-N 1 3 333.520 2.844 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cs1 ZINC000985148406 723885716 /nfs/dbraw/zinc/88/57/16/723885716.db2.gz IONZGBROCZYPOY-DNUAJFIVSA-N 1 3 349.544 2.914 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000985150477 723889289 /nfs/dbraw/zinc/88/92/89/723889289.db2.gz RUFOTEDFHHHMIT-BHIYHBOVSA-N 1 3 347.547 2.926 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC000985154771 723893364 /nfs/dbraw/zinc/89/33/64/723893364.db2.gz PUXCAZIGYREMNV-FHWLQOOXSA-N 1 3 333.520 2.846 20 0 EFADHO CCOC(=O)[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000896963211 723916928 /nfs/dbraw/zinc/91/69/28/723916928.db2.gz WLGCQBKTNSPNTK-SFHVURJKSA-N 1 3 346.471 2.546 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1ccnc3ccccc31)C2 ZINC000895267898 723959111 /nfs/dbraw/zinc/95/91/11/723959111.db2.gz PLOWQFNNCRFGOJ-ZRNYENFQSA-N 1 3 325.456 2.548 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](Nc1ccnc3ccccc31)C2 ZINC000895267898 723959114 /nfs/dbraw/zinc/95/91/14/723959114.db2.gz PLOWQFNNCRFGOJ-ZRNYENFQSA-N 1 3 325.456 2.548 20 0 EFADHO C[C@H](CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)N(C)C ZINC000895293479 724003353 /nfs/dbraw/zinc/00/33/53/724003353.db2.gz MJASSDDEXGEDGW-OAGGEKHMSA-N 1 3 327.513 2.952 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC000727467008 724055634 /nfs/dbraw/zinc/05/56/34/724055634.db2.gz OAEOFKNKNNAOJF-KRWDZBQOSA-N 1 3 337.508 2.850 20 0 EFADHO C[C@H](CN(C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377572 724087952 /nfs/dbraw/zinc/08/79/52/724087952.db2.gz MIUBIIUZZSRKOX-CRAIPNDOSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@H](CN(C)C)[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377572 724087954 /nfs/dbraw/zinc/08/79/54/724087954.db2.gz MIUBIIUZZSRKOX-CRAIPNDOSA-N 1 3 345.466 2.959 20 0 EFADHO C[C@H](CC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000895428053 724128214 /nfs/dbraw/zinc/12/82/14/724128214.db2.gz FNVSOEANYZUDCR-CRAIPNDOSA-N 1 3 327.513 2.953 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)s1 ZINC000985331553 724130659 /nfs/dbraw/zinc/13/06/59/724130659.db2.gz HZHDUHQBYWTLKV-SFHVURJKSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)s1 ZINC000985331553 724130660 /nfs/dbraw/zinc/13/06/60/724130660.db2.gz HZHDUHQBYWTLKV-SFHVURJKSA-N 1 3 349.544 2.882 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC000985331515 724130811 /nfs/dbraw/zinc/13/08/11/724130811.db2.gz HEFCQMBLAJJSAW-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC000985331515 724130814 /nfs/dbraw/zinc/13/08/14/724130814.db2.gz HEFCQMBLAJJSAW-IBGZPJMESA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985332507 724134612 /nfs/dbraw/zinc/13/46/12/724134612.db2.gz QQHOKPRHOIOMPR-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985332507 724134616 /nfs/dbraw/zinc/13/46/16/724134616.db2.gz QQHOKPRHOIOMPR-IBGZPJMESA-N 1 3 347.478 2.651 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331354 724135112 /nfs/dbraw/zinc/13/51/12/724135112.db2.gz FMXBOJJULRLHDT-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331354 724135114 /nfs/dbraw/zinc/13/51/14/724135114.db2.gz FMXBOJJULRLHDT-BEFAXECRSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333149 724139345 /nfs/dbraw/zinc/13/93/45/724139345.db2.gz YTHCEHXUDBFVEP-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333149 724139346 /nfs/dbraw/zinc/13/93/46/724139346.db2.gz YTHCEHXUDBFVEP-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO COc1ccc(C2=NO[C@@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1F ZINC000895504233 724163977 /nfs/dbraw/zinc/16/39/77/724163977.db2.gz RZKNJRINIDQCII-MRXNPFEDSA-N 1 3 349.450 2.790 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@@H+]1C ZINC001029441299 724173744 /nfs/dbraw/zinc/17/37/44/724173744.db2.gz HMPSMQQHECLQJQ-FRYIKTPZSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@H+]1C ZINC001029441299 724173746 /nfs/dbraw/zinc/17/37/46/724173746.db2.gz HMPSMQQHECLQJQ-FRYIKTPZSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1)[NH+]1CCCC1 ZINC001029597963 724205574 /nfs/dbraw/zinc/20/55/74/724205574.db2.gz RMLUJYOCOGQSKC-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CN1CCC(C[N@@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 ZINC000895587431 724208621 /nfs/dbraw/zinc/20/86/21/724208621.db2.gz SWFRMZSSMGECDM-HXUWFJFHSA-N 1 3 328.456 2.828 20 0 EFADHO CN1CCC(C[N@H+]2CCC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 ZINC000895587431 724208626 /nfs/dbraw/zinc/20/86/26/724208626.db2.gz SWFRMZSSMGECDM-HXUWFJFHSA-N 1 3 328.456 2.828 20 0 EFADHO O=C(NCC1CN(C/C=C\c2ccccc2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817143 728888723 /nfs/dbraw/zinc/88/87/23/728888723.db2.gz RBPHFLMXEWBBDY-DAXSKMNVSA-N 1 3 346.434 2.709 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000985436860 724353270 /nfs/dbraw/zinc/35/32/70/724353270.db2.gz VGUONWOQMZGVSJ-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CCF)C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000985436860 724353276 /nfs/dbraw/zinc/35/32/76/724353276.db2.gz VGUONWOQMZGVSJ-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029674489 724365894 /nfs/dbraw/zinc/36/58/94/724365894.db2.gz GZGJXISNXJPWSK-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001029674489 724365898 /nfs/dbraw/zinc/36/58/98/724365898.db2.gz GZGJXISNXJPWSK-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001029675348 724368779 /nfs/dbraw/zinc/36/87/79/724368779.db2.gz MLGHTVVTNCFJKC-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001029675348 724368782 /nfs/dbraw/zinc/36/87/82/724368782.db2.gz MLGHTVVTNCFJKC-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791056 724888344 /nfs/dbraw/zinc/88/83/44/724888344.db2.gz BJXHOINWQLGRJE-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791056 724888345 /nfs/dbraw/zinc/88/83/45/724888345.db2.gz BJXHOINWQLGRJE-UHFFFAOYSA-N 1 3 347.478 2.653 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794263 724889978 /nfs/dbraw/zinc/88/99/78/724889978.db2.gz WQFJMLAVJBGYFV-UHFFFAOYSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794263 724889981 /nfs/dbraw/zinc/88/99/81/724889981.db2.gz WQFJMLAVJBGYFV-UHFFFAOYSA-N 1 3 349.906 2.859 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794441 724890296 /nfs/dbraw/zinc/89/02/96/724890296.db2.gz YQMIAPSGLHLWKW-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985794441 724890299 /nfs/dbraw/zinc/89/02/99/724890299.db2.gz YQMIAPSGLHLWKW-UHFFFAOYSA-N 1 3 343.515 2.822 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1)N(C)C ZINC001029992395 724950920 /nfs/dbraw/zinc/95/09/20/724950920.db2.gz WEIGZPNRGZFILH-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1)N(C)C ZINC001029992395 724950921 /nfs/dbraw/zinc/95/09/21/724950921.db2.gz WEIGZPNRGZFILH-LJQANCHMSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942592 724963518 /nfs/dbraw/zinc/96/35/18/724963518.db2.gz UXPYHSNVNKYNDN-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986933286 724974438 /nfs/dbraw/zinc/97/44/38/724974438.db2.gz BDJIINFHDFRTAB-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000206 724995070 /nfs/dbraw/zinc/99/50/70/724995070.db2.gz UQVXADDALOZMTC-INIZCTEOSA-N 1 3 340.471 2.884 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001030000206 724995072 /nfs/dbraw/zinc/99/50/72/724995072.db2.gz UQVXADDALOZMTC-INIZCTEOSA-N 1 3 340.471 2.884 20 0 EFADHO CC1CC(C[N@H+](C)CC2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001030005492 725006551 /nfs/dbraw/zinc/00/65/51/725006551.db2.gz MIJKXZISMYSEGV-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)CC2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001030005492 725006552 /nfs/dbraw/zinc/00/65/52/725006552.db2.gz MIJKXZISMYSEGV-UHFFFAOYSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013481 725437136 /nfs/dbraw/zinc/43/71/36/725437136.db2.gz IPYXBUVBCMOZGX-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](Cc1ccc(F)cc1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013481 725437137 /nfs/dbraw/zinc/43/71/37/725437137.db2.gz IPYXBUVBCMOZGX-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001030013906 725438197 /nfs/dbraw/zinc/43/81/97/725438197.db2.gz YVXLILRFCXFXSC-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001030013906 725438199 /nfs/dbraw/zinc/43/81/99/725438199.db2.gz YVXLILRFCXFXSC-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[N@H+](C)CC2CC2)CC1 ZINC001030014889 725438890 /nfs/dbraw/zinc/43/88/90/725438890.db2.gz SGOAOBVHMMENHU-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001030014889 725438891 /nfs/dbraw/zinc/43/88/91/725438891.db2.gz SGOAOBVHMMENHU-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992008970 725459566 /nfs/dbraw/zinc/45/95/66/725459566.db2.gz FCHVGHVSWCQLPF-IRFCIJBXSA-N 1 3 345.531 2.940 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992008970 725459568 /nfs/dbraw/zinc/45/95/68/725459568.db2.gz FCHVGHVSWCQLPF-IRFCIJBXSA-N 1 3 345.531 2.940 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014837 725464239 /nfs/dbraw/zinc/46/42/39/725464239.db2.gz SPWWXYUZDJONLI-CMKODMSKSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@H]12 ZINC000992014837 725464240 /nfs/dbraw/zinc/46/42/40/725464240.db2.gz SPWWXYUZDJONLI-CMKODMSKSA-N 1 3 333.520 2.630 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014904 725464306 /nfs/dbraw/zinc/46/43/06/725464306.db2.gz UMIYFZSMBQSNLK-WSTZPKSXSA-N 1 3 333.520 2.774 20 0 EFADHO CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014904 725464307 /nfs/dbraw/zinc/46/43/07/725464307.db2.gz UMIYFZSMBQSNLK-WSTZPKSXSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064489 725474424 /nfs/dbraw/zinc/47/44/24/725474424.db2.gz GAOOWNXTPLDIQQ-MGPUTAFESA-N 1 3 348.450 2.885 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1 ZINC000987071267 725477157 /nfs/dbraw/zinc/47/71/57/725477157.db2.gz VWWWMYRNMFFGDO-HNAYVOBHSA-N 1 3 340.471 2.855 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987071558 725482932 /nfs/dbraw/zinc/48/29/32/725482932.db2.gz XGPCMWRPBGCVMS-QAPCUYQASA-N 1 3 332.492 2.892 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC1 ZINC000992147826 725563571 /nfs/dbraw/zinc/56/35/71/725563571.db2.gz WSWAGJHAOQLYJU-MJGOQNOKSA-N 1 3 347.528 2.703 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186755 725601681 /nfs/dbraw/zinc/60/16/81/725601681.db2.gz HCDNQZPLXDTUTM-ATZDWAIDSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CCC[C@@H]12 ZINC000992186755 725601684 /nfs/dbraw/zinc/60/16/84/725601684.db2.gz HCDNQZPLXDTUTM-ATZDWAIDSA-N 1 3 339.499 2.721 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255315 725613928 /nfs/dbraw/zinc/61/39/28/725613928.db2.gz OAPSBWMOKIJWRD-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255387 725614046 /nfs/dbraw/zinc/61/40/46/725614046.db2.gz OPEQRKOTVPQLHE-WBVHZDCISA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987257419 725615701 /nfs/dbraw/zinc/61/57/01/725615701.db2.gz WRDAKFDNFAONBT-PKOBYXMFSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360479 725669208 /nfs/dbraw/zinc/66/92/08/725669208.db2.gz VKMBLZNKBCNQCA-PBHICJAKSA-N 1 3 347.890 2.515 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)c1 ZINC000987516086 725732021 /nfs/dbraw/zinc/73/20/21/725732021.db2.gz CLAOVGQTQBOJHQ-ICSRJNTNSA-N 1 3 343.515 2.787 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)CN1CCCC1 ZINC000987531155 725736278 /nfs/dbraw/zinc/73/62/78/725736278.db2.gz LGPNKNFYLNRXEH-JXFKEZNVSA-N 1 3 341.499 2.739 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cc3ccccc3o2)CCN1C(=O)CN1CCCC1 ZINC000987521111 725738060 /nfs/dbraw/zinc/73/80/60/725738060.db2.gz XHGWQVVKXOGRJX-MAUKXSAKSA-N 1 3 341.455 2.608 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)c(Cl)c1 ZINC000987522079 725738460 /nfs/dbraw/zinc/73/84/60/725738460.db2.gz FFAIHLULCAAELN-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426708 725802509 /nfs/dbraw/zinc/80/25/09/725802509.db2.gz KKWGAFDBXZDEDW-HHXXYDBFSA-N 1 3 347.528 2.703 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@@H]2N(Cc2ccsc2)CC3)C1 ZINC000992426708 725802512 /nfs/dbraw/zinc/80/25/12/725802512.db2.gz KKWGAFDBXZDEDW-HHXXYDBFSA-N 1 3 347.528 2.703 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CCCF)CC3)c1 ZINC000992509343 725912569 /nfs/dbraw/zinc/91/25/69/725912569.db2.gz NCTXMUYDBPDDNR-QUCCMNQESA-N 1 3 347.478 2.835 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCCF)CC3)c1 ZINC000992509343 725912571 /nfs/dbraw/zinc/91/25/71/725912571.db2.gz NCTXMUYDBPDDNR-QUCCMNQESA-N 1 3 347.478 2.835 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992512366 725916432 /nfs/dbraw/zinc/91/64/32/725916432.db2.gz RYWDJJRXPJCSAQ-ICSRJNTNSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992512366 725916435 /nfs/dbraw/zinc/91/64/35/725916435.db2.gz RYWDJJRXPJCSAQ-ICSRJNTNSA-N 1 3 329.488 2.885 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC000992689680 726116391 /nfs/dbraw/zinc/11/63/91/726116391.db2.gz LIGVINFCRVKAGZ-FGTMMUONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1)N1CCCCC1 ZINC000992696282 726117034 /nfs/dbraw/zinc/11/70/34/726117034.db2.gz XEEDDAKNQAERAN-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1)N1CCCCC1 ZINC000992696277 726117047 /nfs/dbraw/zinc/11/70/47/726117047.db2.gz XEEDDAKNQAERAN-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCCC4)[C@H]3C2)CCC1 ZINC000992719536 726130387 /nfs/dbraw/zinc/13/03/87/726130387.db2.gz KJZQVBKEYMZSNI-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC000992829100 726278390 /nfs/dbraw/zinc/27/83/90/726278390.db2.gz CMPWGUMKGJNULS-YTQUADARSA-N 1 3 342.487 2.669 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@H]3C2)CC1 ZINC000992850559 726301463 /nfs/dbraw/zinc/30/14/63/726301463.db2.gz CAZFGNKTLKAZRD-SLFFLAALSA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)CCCC[NH+]1CCCC1 ZINC000729346818 726318500 /nfs/dbraw/zinc/31/85/00/726318500.db2.gz IHDJDWKKADFPPX-UHFFFAOYSA-N 1 3 349.494 2.982 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992920183 726338967 /nfs/dbraw/zinc/33/89/67/726338967.db2.gz AURCTGGFOKZOAO-HSALFYBXSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC000992921921 726340120 /nfs/dbraw/zinc/34/01/20/726340120.db2.gz DSXCCJONZYLLCI-UHOSZYNNSA-N 1 3 347.478 2.548 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992923825 726340851 /nfs/dbraw/zinc/34/08/51/726340851.db2.gz IINNODUGHRLYBF-BHIYHBOVSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC000992923902 726341384 /nfs/dbraw/zinc/34/13/84/726341384.db2.gz IZHQSXXRMACIAX-XUVXKRRUSA-N 1 3 343.515 2.987 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992925431 726342112 /nfs/dbraw/zinc/34/21/12/726342112.db2.gz KIVPXPNXQPXINH-MISYRCLQSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992925436 726342230 /nfs/dbraw/zinc/34/22/30/726342230.db2.gz KIVPXPNXQPXINH-YZGWKJHDSA-N 1 3 343.515 2.989 20 0 EFADHO O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000906790396 726416861 /nfs/dbraw/zinc/41/68/61/726416861.db2.gz SKRCEEUFFQFRKO-JKSUJKDBSA-N 1 3 345.512 2.932 20 0 EFADHO O[C@H](CN1CCCC1)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000906790396 726416862 /nfs/dbraw/zinc/41/68/62/726416862.db2.gz SKRCEEUFFQFRKO-JKSUJKDBSA-N 1 3 345.512 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597154 726855596 /nfs/dbraw/zinc/85/55/96/726855596.db2.gz NHNNHHWPQOVHQW-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597154 726855600 /nfs/dbraw/zinc/85/56/00/726855600.db2.gz NHNNHHWPQOVHQW-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCN(CC)[C@H](CNC(=S)NCCC[NH+](C)C)c1ccsc1 ZINC000915126635 726878277 /nfs/dbraw/zinc/87/82/77/726878277.db2.gz HMSHBSZBZXIHQW-OAHLLOKOSA-N 1 3 342.578 2.547 20 0 EFADHO COCC[NH+]1CCC(NCc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000731677413 726916667 /nfs/dbraw/zinc/91/66/67/726916667.db2.gz PHBLKTWUQBIPJN-UHFFFAOYSA-N 1 3 332.488 2.991 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@H+](CC)CC(C)C)cc2)CC1 ZINC000915360549 726959745 /nfs/dbraw/zinc/95/97/45/726959745.db2.gz FEUCIJUOGDIICY-UHFFFAOYSA-N 1 3 346.519 2.745 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](CC)CC(C)C)cc2)CC1 ZINC000915360549 726959748 /nfs/dbraw/zinc/95/97/48/726959748.db2.gz FEUCIJUOGDIICY-UHFFFAOYSA-N 1 3 346.519 2.745 20 0 EFADHO C[NH+](C)CCc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC000907633866 726978734 /nfs/dbraw/zinc/97/87/34/726978734.db2.gz IKSCJUMYNSXCHC-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000908145755 727102339 /nfs/dbraw/zinc/10/23/39/727102339.db2.gz IQSCYRRQKSIPNE-CRAIPNDOSA-N 1 3 340.471 2.990 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(F)cc1 ZINC000908205786 727131693 /nfs/dbraw/zinc/13/16/93/727131693.db2.gz AMZYIARHTKWYSL-FGTMMUONSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(F)cc1 ZINC000908205786 727131697 /nfs/dbraw/zinc/13/16/97/727131697.db2.gz AMZYIARHTKWYSL-FGTMMUONSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCCC1 ZINC000993529492 727298469 /nfs/dbraw/zinc/29/84/69/727298469.db2.gz OEIYUDOJWFCGOF-SJLPKXTDSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCCC1 ZINC000993529492 727298471 /nfs/dbraw/zinc/29/84/71/727298471.db2.gz OEIYUDOJWFCGOF-SJLPKXTDSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCCC1 ZINC000993529466 727298561 /nfs/dbraw/zinc/29/85/61/727298561.db2.gz OEIYUDOJWFCGOF-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCCC1 ZINC000993529466 727298563 /nfs/dbraw/zinc/29/85/63/727298563.db2.gz OEIYUDOJWFCGOF-AEFFLSMTSA-N 1 3 333.520 2.774 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)cc1 ZINC000994252651 727675125 /nfs/dbraw/zinc/67/51/25/727675125.db2.gz MLCUXZLCHDTEPO-HKUYNNGSSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000733163461 727708674 /nfs/dbraw/zinc/70/86/74/727708674.db2.gz FXFVHIVZZKBYKE-HKUYNNGSSA-N 1 3 349.494 2.740 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912878658 727754099 /nfs/dbraw/zinc/75/40/99/727754099.db2.gz ANTFTSWEZZRLJE-UHFFFAOYSA-N 1 3 341.455 2.805 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCF ZINC000994464539 727761210 /nfs/dbraw/zinc/76/12/10/727761210.db2.gz OGZSDZNIXCCSAW-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCF ZINC000994464539 727761211 /nfs/dbraw/zinc/76/12/11/727761211.db2.gz OGZSDZNIXCCSAW-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCF ZINC000994484920 727767134 /nfs/dbraw/zinc/76/71/34/727767134.db2.gz JGLDMWRLSCASBD-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCF ZINC000994484920 727767135 /nfs/dbraw/zinc/76/71/35/727767135.db2.gz JGLDMWRLSCASBD-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCF ZINC000994484915 727767165 /nfs/dbraw/zinc/76/71/65/727767165.db2.gz JGLDMWRLSCASBD-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCF ZINC000994484915 727767166 /nfs/dbraw/zinc/76/71/66/727767166.db2.gz JGLDMWRLSCASBD-MAUKXSAKSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+](C)C ZINC000913100291 727782124 /nfs/dbraw/zinc/78/21/24/727782124.db2.gz QOFPZRNYIAJSRZ-HKUYNNGSSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)N1CCCC1 ZINC000995057477 727951214 /nfs/dbraw/zinc/95/12/14/727951214.db2.gz VNEYITDEDURSGY-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)N1CCCC1 ZINC000995057481 727951311 /nfs/dbraw/zinc/95/13/11/727951311.db2.gz VNEYITDEDURSGY-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CCCCNC2=O)ccc1OC ZINC000182339437 728092328 /nfs/dbraw/zinc/09/23/28/728092328.db2.gz PWUYBJFMNBYLRL-QAPCUYQASA-N 1 3 347.503 2.856 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040948321 728311720 /nfs/dbraw/zinc/31/17/20/728311720.db2.gz OOPLOZYGDKZYLF-HDICACEKSA-N 1 3 335.536 2.830 20 0 EFADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000158225265 728323899 /nfs/dbraw/zinc/32/38/99/728323899.db2.gz GOSIHTWNDRWFGT-DLBZAZTESA-N 1 3 342.487 2.932 20 0 EFADHO COc1ccc([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000158225265 728323900 /nfs/dbraw/zinc/32/39/00/728323900.db2.gz GOSIHTWNDRWFGT-DLBZAZTESA-N 1 3 342.487 2.932 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031919349 728363201 /nfs/dbraw/zinc/36/32/01/728363201.db2.gz SYJUIOZRUTZQMI-FXAWDEMLSA-N 1 3 343.515 2.918 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031919349 728363203 /nfs/dbraw/zinc/36/32/03/728363203.db2.gz SYJUIOZRUTZQMI-FXAWDEMLSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948775681 728391037 /nfs/dbraw/zinc/39/10/37/728391037.db2.gz OHOSGRCJUSDUBN-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948775681 728391040 /nfs/dbraw/zinc/39/10/40/728391040.db2.gz OHOSGRCJUSDUBN-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001031925273 728400406 /nfs/dbraw/zinc/40/04/06/728400406.db2.gz CSUZMGFLODBUFT-QKLQHJQFSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001031925273 728400408 /nfs/dbraw/zinc/40/04/08/728400408.db2.gz CSUZMGFLODBUFT-QKLQHJQFSA-N 1 3 343.515 2.834 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CC3)C2)c1 ZINC000995228185 728406557 /nfs/dbraw/zinc/40/65/57/728406557.db2.gz HLQROMHVNUOZOO-QFBILLFUSA-N 1 3 329.488 2.646 20 0 EFADHO CC1(C)CCC(CN2CC(NC(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001030618253 728526870 /nfs/dbraw/zinc/52/68/70/728526870.db2.gz CEWWPLAXMUSOLT-UHFFFAOYSA-N 1 3 340.471 2.965 20 0 EFADHO COc1ccc(CN(C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C2CC2)cc1 ZINC000919770909 729084460 /nfs/dbraw/zinc/08/44/60/729084460.db2.gz VKEGVATYSVTARH-QFBILLFUSA-N 1 3 332.488 2.752 20 0 EFADHO FC(F)(F)CN1CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)C1 ZINC000925474446 729111356 /nfs/dbraw/zinc/11/13/56/729111356.db2.gz JKLHOUBNPWSLBG-KBMXLJTQSA-N 1 3 333.442 2.629 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939800138 729125639 /nfs/dbraw/zinc/12/56/39/729125639.db2.gz FTYWIRRGMZPAFK-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC1CCC1 ZINC000939807495 729131130 /nfs/dbraw/zinc/13/11/30/729131130.db2.gz ZARBLTSHRGMIDQ-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665612 729199027 /nfs/dbraw/zinc/19/90/27/729199027.db2.gz BQVLKHVNGCKQAX-YLJYHZDGSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@@H](C)N2CC(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665612 729199029 /nfs/dbraw/zinc/19/90/29/729199029.db2.gz BQVLKHVNGCKQAX-YLJYHZDGSA-N 1 3 343.515 2.977 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031666849 729204157 /nfs/dbraw/zinc/20/41/57/729204157.db2.gz SGQWRBQHMVXLPY-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031666849 729204160 /nfs/dbraw/zinc/20/41/60/729204160.db2.gz SGQWRBQHMVXLPY-SFHVURJKSA-N 1 3 349.544 2.602 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921269232 729282334 /nfs/dbraw/zinc/28/23/34/729282334.db2.gz RAMWQUBVSFVMBW-ROUUACIJSA-N 1 3 348.560 2.546 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000921269232 729282338 /nfs/dbraw/zinc/28/23/38/729282338.db2.gz RAMWQUBVSFVMBW-ROUUACIJSA-N 1 3 348.560 2.546 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1C ZINC000175013822 729472021 /nfs/dbraw/zinc/47/20/21/729472021.db2.gz GMUBEEAZBRIMLN-MSOLQXFVSA-N 1 3 348.487 2.818 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2=CCCCC2)C1 ZINC001031713759 729496863 /nfs/dbraw/zinc/49/68/63/729496863.db2.gz FDQWIKUFUFKDQP-LJQANCHMSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001031714783 729497560 /nfs/dbraw/zinc/49/75/60/729497560.db2.gz MVQYITDRRBPQOC-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2cccc(C)c2)C1 ZINC001031714783 729497562 /nfs/dbraw/zinc/49/75/62/729497562.db2.gz MVQYITDRRBPQOC-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237550001 729537392 /nfs/dbraw/zinc/53/73/92/729537392.db2.gz IMYJZQFTLAGFSF-QXAKKESOSA-N 1 3 329.488 2.627 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730091 729557556 /nfs/dbraw/zinc/55/75/56/729557556.db2.gz DCFQTMRKKVIXBH-FQEVSTJZSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001031730091 729557557 /nfs/dbraw/zinc/55/75/57/729557557.db2.gz DCFQTMRKKVIXBH-FQEVSTJZSA-N 1 3 345.531 2.942 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031729255 729560763 /nfs/dbraw/zinc/56/07/63/729560763.db2.gz IOTYXGWTKVWIFW-FXAWDEMLSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031729255 729560764 /nfs/dbraw/zinc/56/07/64/729560764.db2.gz IOTYXGWTKVWIFW-FXAWDEMLSA-N 1 3 343.515 2.774 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031765119 729772337 /nfs/dbraw/zinc/77/23/37/729772337.db2.gz AXBCRRJLMKCWIG-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001031765119 729772338 /nfs/dbraw/zinc/77/23/38/729772338.db2.gz AXBCRRJLMKCWIG-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)c1 ZINC001031765966 729773530 /nfs/dbraw/zinc/77/35/30/729773530.db2.gz XBGBTUUJGFWPMW-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)c1 ZINC001031765966 729773531 /nfs/dbraw/zinc/77/35/31/729773531.db2.gz XBGBTUUJGFWPMW-UXHICEINSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389841 1126135040 /nfs/dbraw/zinc/13/50/40/1126135040.db2.gz XNUZSBFJIKIHAI-KONPQCLYSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)s1 ZINC000922389841 1126135041 /nfs/dbraw/zinc/13/50/41/1126135041.db2.gz XNUZSBFJIKIHAI-KONPQCLYSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(C3CC3)s1)C2 ZINC001550422578 1126206859 /nfs/dbraw/zinc/20/68/59/1126206859.db2.gz ZVKVPWZALZVXDH-OVWQWFNUSA-N 1 3 335.517 2.590 20 0 EFADHO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@H](O)[C@@H](NCc1cnc(C3CC3)s1)C2 ZINC001550422578 1126206860 /nfs/dbraw/zinc/20/68/60/1126206860.db2.gz ZVKVPWZALZVXDH-OVWQWFNUSA-N 1 3 335.517 2.590 20 0 EFADHO [NH3+]CCc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC001646738971 1088196050 /nfs/dbraw/zinc/19/60/50/1088196050.db2.gz ZLSOOAKLEIMZJH-KRWDZBQOSA-N 1 3 343.496 2.816 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001646739856 1088198928 /nfs/dbraw/zinc/19/89/28/1088198928.db2.gz ILXYTCOLLGGXHB-SWLSCSKDSA-N 1 3 341.883 2.982 20 0 EFADHO CC(=O)c1ccccc1NC(=O)CCC[NH2+][C@H]1CCNCC1(C)C ZINC001575040950 1088209993 /nfs/dbraw/zinc/20/99/93/1088209993.db2.gz JXRBLEHNYSPBDI-KRWDZBQOSA-N 1 3 331.460 2.586 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001646750834 1088213447 /nfs/dbraw/zinc/21/34/47/1088213447.db2.gz FRLCOHFQNZHLKM-HOTGVXAUSA-N 1 3 325.884 2.822 20 0 EFADHO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CN[C@H](C[NH3+])C1CCCC1 ZINC001575170771 1088287396 /nfs/dbraw/zinc/28/73/96/1088287396.db2.gz VHZKBPDQEKAOER-ZIAGYGMSSA-N 1 3 347.450 2.738 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575186767 1088297781 /nfs/dbraw/zinc/29/77/81/1088297781.db2.gz HXLDBWSXMGPTBX-GPMSIDNRSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2C[C@H]3CCC[C@@]3(N)C2)C1 ZINC001575186767 1088297804 /nfs/dbraw/zinc/29/78/04/1088297804.db2.gz HXLDBWSXMGPTBX-GPMSIDNRSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575186769 1088298894 /nfs/dbraw/zinc/29/88/94/1088298894.db2.gz HXLDBWSXMGPTBX-MDZRGWNJSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@H](CC[N@H+]2C[C@H]3CCC[C@]3(N)C2)C1 ZINC001575186769 1088298912 /nfs/dbraw/zinc/29/89/12/1088298912.db2.gz HXLDBWSXMGPTBX-MDZRGWNJSA-N 1 3 337.508 2.837 20 0 EFADHO CC(C)(C)c1cccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC001575277774 1088359482 /nfs/dbraw/zinc/35/94/82/1088359482.db2.gz ZTWXZQNBNOSMQG-GOSISDBHSA-N 1 3 331.504 2.804 20 0 EFADHO CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC001575379829 1088425041 /nfs/dbraw/zinc/42/50/41/1088425041.db2.gz LYMKAYZMTHPINH-KRWDZBQOSA-N 1 3 347.503 2.518 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001575410170 1088449985 /nfs/dbraw/zinc/44/99/85/1088449985.db2.gz NMKUDZPKDYOVSM-DZGCQCFKSA-N 1 3 335.275 2.696 20 0 EFADHO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC001575423486 1088458247 /nfs/dbraw/zinc/45/82/47/1088458247.db2.gz VHDOPWASEIONJB-AOIWGVFYSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCN[C@H](C)[C@@H]1C ZINC001575423486 1088458250 /nfs/dbraw/zinc/45/82/50/1088458250.db2.gz VHDOPWASEIONJB-AOIWGVFYSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C12CCC(CC1)[NH2+]2 ZINC001575421966 1088459218 /nfs/dbraw/zinc/45/92/18/1088459218.db2.gz DKCWFGJDOLISCZ-FDYSRKEFSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575429445 1088466678 /nfs/dbraw/zinc/46/66/78/1088466678.db2.gz HDBMCWPRKWHQAC-PMRDEQMMSA-N 1 3 339.524 2.998 20 0 EFADHO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC[C@@H]([NH3+])CC(F)(F)F ZINC001575545407 1088548101 /nfs/dbraw/zinc/54/81/01/1088548101.db2.gz OBANRIDKZZUAME-RYUDHWBXSA-N 1 3 341.418 2.795 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC001575649097 1088609873 /nfs/dbraw/zinc/60/98/73/1088609873.db2.gz SUHZLZLSROOLKD-AHRSYUTCSA-N 1 3 345.531 2.992 20 0 EFADHO C[C@@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC001575910336 1088766822 /nfs/dbraw/zinc/76/68/22/1088766822.db2.gz ZBDNRUGJXYHOCG-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001647085163 1088862035 /nfs/dbraw/zinc/86/20/35/1088862035.db2.gz JTRGQOSQYDGLED-MOPGFXCFSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC001576197527 1088995048 /nfs/dbraw/zinc/99/50/48/1088995048.db2.gz BFSGELNTRXCTFJ-LKUPVBHCSA-N 1 3 339.483 2.754 20 0 EFADHO C[C@@H](NC(=O)c1cc2c(s1)CNCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC001576224305 1089025458 /nfs/dbraw/zinc/02/54/58/1089025458.db2.gz FLUVXTHULLXVGF-ACJLOTCBSA-N 1 3 343.496 2.815 20 0 EFADHO C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CCC1([NH3+])CCOCC1 ZINC001576301925 1089087532 /nfs/dbraw/zinc/08/75/32/1089087532.db2.gz RKXWWIKFVHXJRS-HNNXBMFYSA-N 1 3 347.459 2.534 20 0 EFADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC001576574429 1089334702 /nfs/dbraw/zinc/33/47/02/1089334702.db2.gz XBXIKCPKZCLWOF-UIXUWTQFSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1NC1CC3(C[C@@H]3NC(=O)OC(C)(C)C)C1)[NH2+]2 ZINC001576588115 1089340123 /nfs/dbraw/zinc/34/01/23/1089340123.db2.gz QBRXSEMAHFLKGZ-VLBKDVDMSA-N 1 3 335.492 2.551 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001576670998 1089388061 /nfs/dbraw/zinc/38/80/61/1089388061.db2.gz NNEKNJWCVOICRT-OFQRWUPVSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+][C@H]1CNCC1(C)C ZINC001576723015 1089418510 /nfs/dbraw/zinc/41/85/10/1089418510.db2.gz DGPWQCDHXVKLJG-KFWWJZLASA-N 1 3 325.497 2.610 20 0 EFADHO C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001576797142 1089466307 /nfs/dbraw/zinc/46/63/07/1089466307.db2.gz AMOPXAFCXSBAOH-YFHUEUNASA-N 1 3 329.488 2.660 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001576905592 1089519287 /nfs/dbraw/zinc/51/92/87/1089519287.db2.gz DDOHBGOMNJIRAL-YJBOKZPZSA-N 1 3 345.487 2.515 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC001647558549 1089541923 /nfs/dbraw/zinc/54/19/23/1089541923.db2.gz HMILDPQDDWDGGR-PXNSSMCTSA-N 1 3 342.483 2.901 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccccc1F ZINC001647558828 1089544009 /nfs/dbraw/zinc/54/40/09/1089544009.db2.gz OBMLEGHAXONRIP-HXUWFJFHSA-N 1 3 343.446 2.756 20 0 EFADHO CC[C@@](C)([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(F)cc1 ZINC001576960136 1089549222 /nfs/dbraw/zinc/54/92/22/1089549222.db2.gz KCESKAYXHRADAU-SLFFLAALSA-N 1 3 330.447 2.971 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001576971949 1089555611 /nfs/dbraw/zinc/55/56/11/1089555611.db2.gz SNLKLRKJFCIHQX-QXAKKESOSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001576971949 1089555625 /nfs/dbraw/zinc/55/56/25/1089555625.db2.gz SNLKLRKJFCIHQX-QXAKKESOSA-N 1 3 331.504 2.525 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)c1ccco1 ZINC001577004230 1089578002 /nfs/dbraw/zinc/57/80/02/1089578002.db2.gz SKZPLPBOQOWCEH-BXWFABGCSA-N 1 3 348.491 2.636 20 0 EFADHO CC[C@H](CNCc1ccc(N2CC[NH2+]CC2)o1)Oc1cccc(F)c1 ZINC001577089320 1089643066 /nfs/dbraw/zinc/64/30/66/1089643066.db2.gz KQFQUNXJJBFGIE-MRXNPFEDSA-N 1 3 347.434 2.776 20 0 EFADHO CC[C@H]([NH3+])Cn1c(C2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001577139379 1089690569 /nfs/dbraw/zinc/69/05/69/1089690569.db2.gz VNFXEMWSZZZZCM-ZOBUZTSGSA-N 1 3 348.539 2.592 20 0 EFADHO CC[C@H](NCc1cccc2c1CC[NH2+]C2)C(=O)NCc1cccs1 ZINC001577175655 1089722163 /nfs/dbraw/zinc/72/21/63/1089722163.db2.gz DWEMSEFPDIEBOV-SFHVURJKSA-N 1 3 343.496 2.578 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577300412 1089810379 /nfs/dbraw/zinc/81/03/79/1089810379.db2.gz SHIXRVGYSZHEJC-ZCNNSNEGSA-N 1 3 343.515 2.886 20 0 EFADHO CCCCCCN(Cc1ccc(C)o1)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001577429984 1089956882 /nfs/dbraw/zinc/95/68/82/1089956882.db2.gz GOVAETFDOLKMGU-KRWDZBQOSA-N 1 3 334.460 2.875 20 0 EFADHO CCCN(C(=O)NCC1([NH3+])CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001577488928 1090002939 /nfs/dbraw/zinc/00/29/39/1090002939.db2.gz NQXFLVFEFPTNCX-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(Cl)cc1 ZINC001577495388 1090008689 /nfs/dbraw/zinc/00/86/89/1090008689.db2.gz IFABHSQQYKUSAF-FUHWJXTLSA-N 1 3 337.895 2.839 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC001577495689 1090010490 /nfs/dbraw/zinc/01/04/90/1090010490.db2.gz WTYKKXALRHREAX-IAOVAPTHSA-N 1 3 337.895 2.837 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001577510118 1090022042 /nfs/dbraw/zinc/02/20/42/1090022042.db2.gz AVERUUUHUGXEEI-UKRRQHHQSA-N 1 3 340.899 2.670 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](N)c1cc(C)nc(Cl)c1 ZINC001577510118 1090022051 /nfs/dbraw/zinc/02/20/51/1090022051.db2.gz AVERUUUHUGXEEI-UKRRQHHQSA-N 1 3 340.899 2.670 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577548511 1090045364 /nfs/dbraw/zinc/04/53/64/1090045364.db2.gz WXLZYTPPFYDXSC-MJGOQNOKSA-N 1 3 331.504 2.886 20 0 EFADHO CCN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577631387 1090089517 /nfs/dbraw/zinc/08/95/17/1090089517.db2.gz GYNUMQOVLZYSMZ-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCN(Cc2ccc(NCc3ccc(C[NH3+])cc3)cc2)CC1 ZINC001577778333 1090178752 /nfs/dbraw/zinc/17/87/52/1090178752.db2.gz UGCPAJJXASJMCU-UHFFFAOYSA-N 1 3 338.499 2.895 20 0 EFADHO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC001577929175 1090216239 /nfs/dbraw/zinc/21/62/39/1090216239.db2.gz YHRQLGLKUALWIG-QUCCMNQESA-N 1 3 330.472 2.626 20 0 EFADHO CCc1[nH]c(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C(=O)OC ZINC001578243244 1090316429 /nfs/dbraw/zinc/31/64/29/1090316429.db2.gz JYUKRDIEZRONRY-LSDHHAIUSA-N 1 3 333.476 2.575 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)N(C)C)cc1 ZINC001578253635 1090318317 /nfs/dbraw/zinc/31/83/17/1090318317.db2.gz HNTIKUCWXDKHOJ-ROUUACIJSA-N 1 3 333.520 2.992 20 0 EFADHO CN(CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1)C(=O)OC(C)(C)C ZINC001578454141 1090375276 /nfs/dbraw/zinc/37/52/76/1090375276.db2.gz UBOOVVFEXSEQNL-KRWDZBQOSA-N 1 3 339.524 2.955 20 0 EFADHO C[NH2+]CCOCCNCC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC001578710078 1090423541 /nfs/dbraw/zinc/42/35/41/1090423541.db2.gz TYGSJZRTZZWHLY-UHFFFAOYSA-N 1 3 331.243 2.595 20 0 EFADHO C[NH2+]CCOCCN(C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001578707731 1090423710 /nfs/dbraw/zinc/42/37/10/1090423710.db2.gz ODGMCIGANHEEGV-UHFFFAOYSA-N 1 3 337.464 2.701 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001578753069 1090435663 /nfs/dbraw/zinc/43/56/63/1090435663.db2.gz IMFOAPCXMGQWLD-IRXDYDNUSA-N 1 3 337.533 2.762 20 0 EFADHO COC(=O)/C=C/c1ccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC001578797551 1090444650 /nfs/dbraw/zinc/44/46/50/1090444650.db2.gz OLZKEMPDRSTBOG-IFHJKIQESA-N 1 3 346.471 2.557 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)nc1 ZINC001578863828 1090458014 /nfs/dbraw/zinc/45/80/14/1090458014.db2.gz JFIHLBXGGPBCMJ-KXBFYZLASA-N 1 3 345.487 2.988 20 0 EFADHO COc1cc(F)cc(C[C@H](C)NCc2nc3c(s2)C[NH2+]CC3)c1 ZINC001579158872 1090530181 /nfs/dbraw/zinc/53/01/81/1090530181.db2.gz QOQDDUCMENYHAH-NSHDSACASA-N 1 3 335.448 2.657 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001579499246 1090623001 /nfs/dbraw/zinc/62/30/01/1090623001.db2.gz GBTLCKOZPGFRBJ-WRQOLXDDSA-N 1 3 337.508 2.752 20 0 EFADHO Cc1cccc(CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC001579761199 1090680925 /nfs/dbraw/zinc/68/09/25/1090680925.db2.gz XFHMEDLCMOXTLY-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CCC2(CC[NH2+]CC2)CC1 ZINC001579797778 1090690093 /nfs/dbraw/zinc/69/00/93/1090690093.db2.gz SVZVLUCLGJMDGN-GOSISDBHSA-N 1 3 343.515 2.508 20 0 EFADHO Clc1cnc2oc(CNC[C@H]3CC4(CO3)CC[NH2+]CC4)cc2c1 ZINC001579938966 1090728406 /nfs/dbraw/zinc/72/84/06/1090728406.db2.gz PHQPTELUXHLZGA-OAHLLOKOSA-N 1 3 335.835 2.730 20 0 EFADHO Cn1cc(CN2CCC(CC[NH3+])CC2)c(-c2cc(F)ccc2F)n1 ZINC001579961745 1090733854 /nfs/dbraw/zinc/73/38/54/1090733854.db2.gz TUXZOJQXDCWAFN-UHFFFAOYSA-N 1 3 334.414 2.926 20 0 EFADHO Fc1ccc(OC(F)F)c(CNC[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC001580029797 1090746545 /nfs/dbraw/zinc/74/65/45/1090746545.db2.gz BMXHDSMFPGJXRY-CQSZACIVSA-N 1 3 344.377 2.675 20 0 EFADHO Fc1ccc(CCNCc2nc3c(s2)C[NH2+]CC3)c(Cl)c1 ZINC001580031095 1090747165 /nfs/dbraw/zinc/74/71/65/1090747165.db2.gz UNSWXQLGZFKODK-UHFFFAOYSA-N 1 3 325.840 2.914 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCCC1 ZINC001580215828 1090814714 /nfs/dbraw/zinc/81/47/14/1090814714.db2.gz PCIOWFIUBKRCFC-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCC1 ZINC001580215828 1090814721 /nfs/dbraw/zinc/81/47/21/1090814721.db2.gz PCIOWFIUBKRCFC-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO [NH3+]CC1(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CCCCC1 ZINC001580245289 1090828741 /nfs/dbraw/zinc/82/87/41/1090828741.db2.gz YQCDVWVUSPXFFU-QGZVFWFLSA-N 1 3 347.478 2.816 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3CCN3C3CCCC3)cc21 ZINC001580264316 1090841296 /nfs/dbraw/zinc/84/12/96/1090841296.db2.gz LZMDKBCKFWWFDP-IEBWSBKVSA-N 1 3 341.499 2.812 20 0 EFADHO NCc1cn(-c2cccc(C[NH2+]Cc3cc(F)cc(Cl)c3)c2)nn1 ZINC001580349048 1090872570 /nfs/dbraw/zinc/87/25/70/1090872570.db2.gz FZHGNBDOLRRGIQ-UHFFFAOYSA-N 1 3 345.809 2.808 20 0 EFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)[C@H]1C[NH2+]CCC12CCC2 ZINC001580654380 1090977702 /nfs/dbraw/zinc/97/77/02/1090977702.db2.gz IRGBJTQGJOTCSY-RBUKOAKNSA-N 1 3 341.499 2.547 20 0 EFADHO O=C(NC[C@H]1CCCN1Cc1ccccc1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001580654375 1090978122 /nfs/dbraw/zinc/97/81/22/1090978122.db2.gz IRGBJTQGJOTCSY-MOPGFXCFSA-N 1 3 341.499 2.547 20 0 EFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580672548 1090982012 /nfs/dbraw/zinc/98/20/12/1090982012.db2.gz FTRYQRHELIUNOH-WOJBJXKFSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001580672548 1090982016 /nfs/dbraw/zinc/98/20/16/1090982016.db2.gz FTRYQRHELIUNOH-WOJBJXKFSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(OCc1ccccc1)[C@H]1CCCN1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580805890 1091015473 /nfs/dbraw/zinc/01/54/73/1091015473.db2.gz ZYAAYYAKYGOHPS-XVLXNVKGSA-N 1 3 328.456 2.725 20 0 EFADHO O=C1Nc2ccccc2S[C@@H]1CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001580853383 1091026719 /nfs/dbraw/zinc/02/67/19/1091026719.db2.gz HVFGNIGJVSMMQW-QGPMSJSTSA-N 1 3 345.512 2.954 20 0 EFADHO O=C1Nc2ccccc2S[C@@H]1CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001580853384 1091026828 /nfs/dbraw/zinc/02/68/28/1091026828.db2.gz HVFGNIGJVSMMQW-QILLFSRXSA-N 1 3 345.512 2.954 20 0 EFADHO O=C1Nc2ccccc2S[C@@H]1CCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001580853386 1091027164 /nfs/dbraw/zinc/02/71/64/1091027164.db2.gz HVFGNIGJVSMMQW-YXJHDRRASA-N 1 3 345.512 2.954 20 0 EFADHO c1ccc2c(c1)C[NH2+]CC1(CCN(CCO[C@@H]3CCCCO3)CC1)O2 ZINC001580896778 1091039188 /nfs/dbraw/zinc/03/91/88/1091039188.db2.gz RBIRXHGBANPVGX-LJQANCHMSA-N 1 3 346.471 2.546 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001480912916 1092386071 /nfs/dbraw/zinc/38/60/71/1092386071.db2.gz GLGXEAVWQOAJGB-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001480912916 1092386079 /nfs/dbraw/zinc/38/60/79/1092386079.db2.gz GLGXEAVWQOAJGB-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)[C@H](c1ccccc1)N(C)C ZINC001649801341 1092692177 /nfs/dbraw/zinc/69/21/77/1092692177.db2.gz DUONEGBTZCCJPX-JCHJZTRSSA-N 1 3 346.519 2.850 20 0 EFADHO O=C1[C@@H](N2CCCC3(CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC001649850118 1092737983 /nfs/dbraw/zinc/73/79/83/1092737983.db2.gz QYKAXIRDJKUSTK-SFHVURJKSA-N 1 3 345.462 2.787 20 0 EFADHO c1cc2c(cc1-c1nnn[n-]1)CCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC001588384550 1092938719 /nfs/dbraw/zinc/93/87/19/1092938719.db2.gz WGBWXHVVCCNPDC-GOSISDBHSA-N 1 3 338.459 2.534 20 0 EFADHO c1cc2c(cc1-c1nn[n-]n1)CCCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC001588384550 1092938731 /nfs/dbraw/zinc/93/87/31/1092938731.db2.gz WGBWXHVVCCNPDC-GOSISDBHSA-N 1 3 338.459 2.534 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001087219171 1092968615 /nfs/dbraw/zinc/96/86/15/1092968615.db2.gz LJEHQESCJILRNG-GJYPPUQNSA-N 1 3 340.471 2.930 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001087219042 1092969475 /nfs/dbraw/zinc/96/94/75/1092969475.db2.gz FXOCLMJOMNABKC-QAPCUYQASA-N 1 3 332.492 2.749 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158178 1092987777 /nfs/dbraw/zinc/98/77/77/1092987777.db2.gz HTJCYJHEJXXOAR-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@@H+]1CCCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158178 1092987786 /nfs/dbraw/zinc/98/77/86/1092987786.db2.gz HTJCYJHEJXXOAR-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO C[N@H+]1CCCC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC001650158178 1092987792 /nfs/dbraw/zinc/98/77/92/1092987792.db2.gz HTJCYJHEJXXOAR-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC001650160677 1092990085 /nfs/dbraw/zinc/99/00/85/1092990085.db2.gz RBHYZZZRYDKQIN-HKUYNNGSSA-N 1 3 342.483 2.901 20 0 EFADHO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001167626501 1093145950 /nfs/dbraw/zinc/14/59/50/1093145950.db2.gz CPKQBSWAWNBHKC-IBGZPJMESA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001167626766 1093146168 /nfs/dbraw/zinc/14/61/68/1093146168.db2.gz GYMZKUYVOLAABG-IBGZPJMESA-N 1 3 331.504 2.588 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CCCNC(=O)[C@H]1CCCCN1C(C)C ZINC001167627596 1093147406 /nfs/dbraw/zinc/14/74/06/1093147406.db2.gz QELXMNOYLKDGPW-LJQANCHMSA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001167627002 1093148832 /nfs/dbraw/zinc/14/88/32/1093148832.db2.gz IRVQKFZNYNGPJD-GOSISDBHSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001167633199 1093164576 /nfs/dbraw/zinc/16/45/76/1093164576.db2.gz AIAMHIDSIPIGMV-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589962316 1093198201 /nfs/dbraw/zinc/19/82/01/1093198201.db2.gz SACWYPGOMGYASW-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589962316 1093198204 /nfs/dbraw/zinc/19/82/04/1093198204.db2.gz SACWYPGOMGYASW-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589962316 1093198208 /nfs/dbraw/zinc/19/82/08/1093198208.db2.gz SACWYPGOMGYASW-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589962316 1093198210 /nfs/dbraw/zinc/19/82/10/1093198210.db2.gz SACWYPGOMGYASW-LBPRGKRZSA-N 1 3 332.427 2.531 20 0 EFADHO CCCN(C(=O)C1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC001650419966 1093227624 /nfs/dbraw/zinc/22/76/24/1093227624.db2.gz MLOYYWOHFPURSH-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458555 1093228900 /nfs/dbraw/zinc/22/89/00/1093228900.db2.gz JYQSFWYCIVSNSV-INIZCTEOSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458555 1093228911 /nfs/dbraw/zinc/22/89/11/1093228911.db2.gz JYQSFWYCIVSNSV-INIZCTEOSA-N 1 3 332.492 2.701 20 0 EFADHO C[C@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001590039021 1093231954 /nfs/dbraw/zinc/23/19/54/1093231954.db2.gz SVTZJFKVPDKIPM-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001590039021 1093231960 /nfs/dbraw/zinc/23/19/60/1093231960.db2.gz SVTZJFKVPDKIPM-OAHLLOKOSA-N 1 3 340.475 2.736 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075459099 1093240677 /nfs/dbraw/zinc/24/06/77/1093240677.db2.gz YLJLRSHICIEUCH-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC001075459099 1093240685 /nfs/dbraw/zinc/24/06/85/1093240685.db2.gz YLJLRSHICIEUCH-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+](CC3CC3)CC2)CC1 ZINC001075461677 1093327048 /nfs/dbraw/zinc/32/70/48/1093327048.db2.gz OGABMLRYIKRNGI-LJQANCHMSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001075461677 1093327056 /nfs/dbraw/zinc/32/70/56/1093327056.db2.gz OGABMLRYIKRNGI-LJQANCHMSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465749 1093436432 /nfs/dbraw/zinc/43/64/32/1093436432.db2.gz IKIOHSKQWQFECO-RHSMWYFYSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465749 1093436434 /nfs/dbraw/zinc/43/64/34/1093436434.db2.gz IKIOHSKQWQFECO-RHSMWYFYSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465749 1093436436 /nfs/dbraw/zinc/43/64/36/1093436436.db2.gz IKIOHSKQWQFECO-RHSMWYFYSA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465749 1093436442 /nfs/dbraw/zinc/43/64/42/1093436442.db2.gz IKIOHSKQWQFECO-RHSMWYFYSA-N 1 3 328.464 2.639 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001590688201 1093550483 /nfs/dbraw/zinc/55/04/83/1093550483.db2.gz XZSOLRILEFEHLH-KBXCAEBGSA-N 1 3 342.491 2.954 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001590688201 1093550489 /nfs/dbraw/zinc/55/04/89/1093550489.db2.gz XZSOLRILEFEHLH-KBXCAEBGSA-N 1 3 342.491 2.954 20 0 EFADHO Cc1cc(-c2nnn[n-]2)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001591865147 1093902183 /nfs/dbraw/zinc/90/21/83/1093902183.db2.gz UFJSWKSMDWYINK-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO Cc1cc(-c2nn[n-]n2)ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC001591865147 1093902188 /nfs/dbraw/zinc/90/21/88/1093902188.db2.gz UFJSWKSMDWYINK-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO [NH3+]CCCCCC[NH+]1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592744295 1094184850 /nfs/dbraw/zinc/18/48/50/1094184850.db2.gz GZWBCZGJOWJNRV-UHFFFAOYSA-N 1 3 328.464 2.565 20 0 EFADHO [NH3+]CCCCCC[NH+]1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592744295 1094184852 /nfs/dbraw/zinc/18/48/52/1094184852.db2.gz GZWBCZGJOWJNRV-UHFFFAOYSA-N 1 3 328.464 2.565 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001480938652 1094413294 /nfs/dbraw/zinc/41/32/94/1094413294.db2.gz LRTSKGUIUGLDPI-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001480938652 1094413297 /nfs/dbraw/zinc/41/32/97/1094413297.db2.gz LRTSKGUIUGLDPI-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001481095246 1094457956 /nfs/dbraw/zinc/45/79/56/1094457956.db2.gz HBCACTQFFILWIM-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)cc1 ZINC001481095246 1094457959 /nfs/dbraw/zinc/45/79/59/1094457959.db2.gz HBCACTQFFILWIM-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)C1CCC1 ZINC001481096499 1094475428 /nfs/dbraw/zinc/47/54/28/1094475428.db2.gz VQTLJTFRQOJUCP-AIADIJKESA-N 1 3 341.499 2.622 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)C1CCC1 ZINC001481096499 1094475435 /nfs/dbraw/zinc/47/54/35/1094475435.db2.gz VQTLJTFRQOJUCP-AIADIJKESA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096494 1094475752 /nfs/dbraw/zinc/47/57/52/1094475752.db2.gz VJRJCDBNYVVPOT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096494 1094475761 /nfs/dbraw/zinc/47/57/61/1094475761.db2.gz VJRJCDBNYVVPOT-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1)N(C)C ZINC001104641368 1094513763 /nfs/dbraw/zinc/51/37/63/1094513763.db2.gz NVIIVHOZDRRKJZ-KZNAEPCWSA-N 1 3 343.531 2.787 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(C)C)C1 ZINC001211627363 1094570465 /nfs/dbraw/zinc/57/04/65/1094570465.db2.gz FMJGYCLUTNDFKC-RBUKOAKNSA-N 1 3 345.531 2.957 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104680444 1094589069 /nfs/dbraw/zinc/58/90/69/1094589069.db2.gz QLHCODCQPORXFM-YQVWRLOYSA-N 1 3 337.552 2.839 20 0 EFADHO CC/C=C\CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104678821 1094601720 /nfs/dbraw/zinc/60/17/20/1094601720.db2.gz CPDKTNWSYAAZFZ-UWCDRFHNSA-N 1 3 335.536 2.759 20 0 EFADHO CC/C=C/CC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104678822 1094601931 /nfs/dbraw/zinc/60/19/31/1094601931.db2.gz CPDKTNWSYAAZFZ-VLPTVUGRSA-N 1 3 335.536 2.759 20 0 EFADHO CC[C@H](F)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682238 1094618931 /nfs/dbraw/zinc/61/89/31/1094618931.db2.gz IRXBUJQWKAMJCR-ZACQAIPSSA-N 1 3 343.531 2.787 20 0 EFADHO C[C@@H](F)CC[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682443 1094627787 /nfs/dbraw/zinc/62/77/87/1094627787.db2.gz QFCURVJAUONNEZ-BRWVUGGUSA-N 1 3 343.531 2.787 20 0 EFADHO CC(C)=CC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104684071 1094632066 /nfs/dbraw/zinc/63/20/66/1094632066.db2.gz WUPCEDZITLJMHE-QZTJIDSGSA-N 1 3 335.536 2.759 20 0 EFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000782968878 1094635429 /nfs/dbraw/zinc/63/54/29/1094635429.db2.gz ZQMHTWAXEOKEOO-PMACEKPBSA-N 1 3 348.487 2.527 20 0 EFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000782968879 1094635700 /nfs/dbraw/zinc/63/57/00/1094635700.db2.gz ZQMHTWAXEOKEOO-UXHICEINSA-N 1 3 348.487 2.527 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001104691194 1094643614 /nfs/dbraw/zinc/64/36/14/1094643614.db2.gz LBSGPQGAVQSFHR-KURKYZTESA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001104690636 1094644337 /nfs/dbraw/zinc/64/43/37/1094644337.db2.gz ILBISUDZBRZWTI-SUMDDJOVSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001104690476 1094644377 /nfs/dbraw/zinc/64/43/77/1094644377.db2.gz FQHGATNDPJJWBD-QRQLOZEOSA-N 1 3 331.504 2.601 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccsc2)C1)N(C)C ZINC001104691878 1094645710 /nfs/dbraw/zinc/64/57/10/1094645710.db2.gz YRVKRCQTHVZGIX-OIISXLGYSA-N 1 3 337.533 2.663 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCCC2)C1)N(C)C ZINC001104691617 1094646455 /nfs/dbraw/zinc/64/64/55/1094646455.db2.gz QCENFQJEZUALBC-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC001481461866 1094701961 /nfs/dbraw/zinc/70/19/61/1094701961.db2.gz KBCUWSYDUUAGMG-UFNQUYMESA-N 1 3 349.906 2.943 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@H]2CC[N@@H+](C/C=C/Cl)C2)c1 ZINC001481461866 1094701970 /nfs/dbraw/zinc/70/19/70/1094701970.db2.gz KBCUWSYDUUAGMG-UFNQUYMESA-N 1 3 349.906 2.943 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001480947720 1094720266 /nfs/dbraw/zinc/72/02/66/1094720266.db2.gz GTRYXVPIJQCDNC-UHFFFAOYSA-N 1 3 331.504 2.809 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529852 1094763324 /nfs/dbraw/zinc/76/33/24/1094763324.db2.gz RPRXCNHMTNESFB-BJLQDIEVSA-N 1 3 333.520 2.655 20 0 EFADHO C[C@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001104731971 1094781798 /nfs/dbraw/zinc/78/17/98/1094781798.db2.gz GTLVTYWQMJVDFH-SOLBZPMBSA-N 1 3 340.471 2.788 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481120877 1094783065 /nfs/dbraw/zinc/78/30/65/1094783065.db2.gz NFTGWPRTQRTQOV-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001481120877 1094783077 /nfs/dbraw/zinc/78/30/77/1094783077.db2.gz NFTGWPRTQRTQOV-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001480951721 1094820972 /nfs/dbraw/zinc/82/09/72/1094820972.db2.gz KVLXMKDYAADGOR-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001480951721 1094820988 /nfs/dbraw/zinc/82/09/88/1094820988.db2.gz KVLXMKDYAADGOR-MRXNPFEDSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC001167814828 1095096943 /nfs/dbraw/zinc/09/69/43/1095096943.db2.gz FZZYGVIODSHYSO-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cccc(CC)c2)CC1 ZINC001167815630 1095104376 /nfs/dbraw/zinc/10/43/76/1095104376.db2.gz WDAVUINMFZNRDU-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO Cc1ccc(CN(CCNC(=O)C23CCC[NH+]2CCC3)C2CC2)cc1 ZINC001481177678 1095144962 /nfs/dbraw/zinc/14/49/62/1095144962.db2.gz FOXDDCLYNVRRRE-UHFFFAOYSA-N 1 3 341.499 2.704 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cccc(OC)n2)CC1 ZINC001167833459 1095271561 /nfs/dbraw/zinc/27/15/61/1095271561.db2.gz BKNYJFHAUJSMNL-KRWDZBQOSA-N 1 3 334.508 2.723 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC(C)C)[C@@H]2C1(C)C ZINC001087316683 1095299510 /nfs/dbraw/zinc/29/95/10/1095299510.db2.gz WFPUPCANAIVDSL-QGTPRVQTSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC(C)C)[C@@H]2C1(C)C ZINC001087316683 1095299521 /nfs/dbraw/zinc/29/95/21/1095299521.db2.gz WFPUPCANAIVDSL-QGTPRVQTSA-N 1 3 332.492 2.522 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]CCCc2ccccc2)CC1 ZINC001167835563 1095327672 /nfs/dbraw/zinc/32/76/72/1095327672.db2.gz IQYSWMOXSSPKQH-UHFFFAOYSA-N 1 3 345.531 2.837 20 0 EFADHO CCCN(C)CC(=O)NCCC1(C[NH2+]Cc2cc(C)ccc2F)CC1 ZINC001167836486 1095337318 /nfs/dbraw/zinc/33/73/18/1095337318.db2.gz XCCICWXSMWEHDD-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001480996462 1095709146 /nfs/dbraw/zinc/70/91/46/1095709146.db2.gz YCPAYCJWOOLQAA-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955682 1095752726 /nfs/dbraw/zinc/75/27/26/1095752726.db2.gz STCFSSODPIOQKG-HKUYNNGSSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955682 1095752735 /nfs/dbraw/zinc/75/27/35/1095752735.db2.gz STCFSSODPIOQKG-HKUYNNGSSA-N 1 3 343.515 2.932 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957600 1095771421 /nfs/dbraw/zinc/77/14/21/1095771421.db2.gz NGNNPERPGFOGPZ-QFBILLFUSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957600 1095771430 /nfs/dbraw/zinc/77/14/30/1095771430.db2.gz NGNNPERPGFOGPZ-QFBILLFUSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[N@H+](CC3CCC3)CC2)C1 ZINC000981957738 1095796365 /nfs/dbraw/zinc/79/63/65/1095796365.db2.gz RYHHJOCNTOJKSY-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000981957738 1095796376 /nfs/dbraw/zinc/79/63/76/1095796376.db2.gz RYHHJOCNTOJKSY-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000981960736 1095823134 /nfs/dbraw/zinc/82/31/34/1095823134.db2.gz XRSIXGYQZYILRN-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000981960736 1095823152 /nfs/dbraw/zinc/82/31/52/1095823152.db2.gz XRSIXGYQZYILRN-QUCCMNQESA-N 1 3 343.515 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cccc(OC)c1 ZINC001481018565 1095877767 /nfs/dbraw/zinc/87/77/67/1095877767.db2.gz CARDDNNNJSTOCA-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(OC)c1 ZINC001481018565 1095877788 /nfs/dbraw/zinc/87/77/88/1095877788.db2.gz CARDDNNNJSTOCA-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001481629465 1095992422 /nfs/dbraw/zinc/99/24/22/1095992422.db2.gz JAYPRHHMBRUQER-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](C(=O)NCC1CN([C@H](C)c2ccccc2)C1)[NH+](CC)CC ZINC001481645724 1096153913 /nfs/dbraw/zinc/15/39/13/1096153913.db2.gz WFENUJUDJHYSTG-VQIMIIECSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]Cc2cccc(C)c2)CC1 ZINC001167893801 1096207535 /nfs/dbraw/zinc/20/75/35/1096207535.db2.gz AKJYJXWUMQGYIX-UHFFFAOYSA-N 1 3 340.471 2.645 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1ccccc1 ZINC001211713367 1096302975 /nfs/dbraw/zinc/30/29/75/1096302975.db2.gz JGZXTRZJNDDGAA-RBUKOAKNSA-N 1 3 331.504 2.713 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001167900258 1096325150 /nfs/dbraw/zinc/32/51/50/1096325150.db2.gz DTYWALBDVFQGLL-ZACQAIPSSA-N 1 3 344.503 2.573 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481749211 1096522233 /nfs/dbraw/zinc/52/22/33/1096522233.db2.gz WLYINGLXPDNHBM-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481749211 1096522241 /nfs/dbraw/zinc/52/22/41/1096522241.db2.gz WLYINGLXPDNHBM-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603603921 1096564630 /nfs/dbraw/zinc/56/46/30/1096564630.db2.gz QBAIXMLJTYIPAK-NWDGAFQWSA-N 1 3 340.406 2.876 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001481819622 1096742823 /nfs/dbraw/zinc/74/28/23/1096742823.db2.gz ZPIYBTWTEODXNV-KRWDZBQOSA-N 1 3 335.467 2.625 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001481820511 1096745331 /nfs/dbraw/zinc/74/53/31/1096745331.db2.gz NTVPMUREQVLGAL-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001604285968 1096796058 /nfs/dbraw/zinc/79/60/58/1096796058.db2.gz UPYSTEGFLHUXGZ-ZDUSSCGKSA-N 1 3 334.443 2.606 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001604285968 1096796061 /nfs/dbraw/zinc/79/60/61/1096796061.db2.gz UPYSTEGFLHUXGZ-ZDUSSCGKSA-N 1 3 334.443 2.606 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)C2)CCCC1 ZINC001481897198 1096887834 /nfs/dbraw/zinc/88/78/34/1096887834.db2.gz RQZDDUIBAIDEJZ-ABHNRTSZSA-N 1 3 335.536 2.924 20 0 EFADHO C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)CC1 ZINC001604675660 1096928671 /nfs/dbraw/zinc/92/86/71/1096928671.db2.gz QKZIMVQKBVEHRU-LEOMRAHMSA-N 1 3 340.475 2.707 20 0 EFADHO C[NH+](C)C1CCC([NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)CC1 ZINC001604675660 1096928672 /nfs/dbraw/zinc/92/86/72/1096928672.db2.gz QKZIMVQKBVEHRU-LEOMRAHMSA-N 1 3 340.475 2.707 20 0 EFADHO CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2CC(C)C2)cc1)N(C)C ZINC001482031832 1097123216 /nfs/dbraw/zinc/12/32/16/1097123216.db2.gz BZJIWYLVLHRVGT-XUJQIHCRSA-N 1 3 331.504 2.779 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001482103450 1097263672 /nfs/dbraw/zinc/26/36/72/1097263672.db2.gz ZQKCPJDXRCPZSG-LPHOPBHVSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482103454 1097264170 /nfs/dbraw/zinc/26/41/70/1097264170.db2.gz ZQKCPJDXRCPZSG-VQIMIIECSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001482108804 1097269569 /nfs/dbraw/zinc/26/95/69/1097269569.db2.gz XDMIVPXEHYIVPI-KUHUBIRLSA-N 1 3 347.478 2.639 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+]([C@H]4C[C@H]5C[C@H]5C4)CC3)C2)ccn1 ZINC001167938736 1097380428 /nfs/dbraw/zinc/38/04/28/1097380428.db2.gz GVDVGJBNUHNWMU-PMOLBWCYSA-N 1 3 341.499 2.795 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1)C1CCC1 ZINC001482222352 1098167557 /nfs/dbraw/zinc/16/75/57/1098167557.db2.gz ZBSVXVOHZMESEW-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609154349 1098172952 /nfs/dbraw/zinc/17/29/52/1098172952.db2.gz MMAABDQPHOSKFW-IYBDPMFKSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609154349 1098172957 /nfs/dbraw/zinc/17/29/57/1098172957.db2.gz MMAABDQPHOSKFW-IYBDPMFKSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609154349 1098172961 /nfs/dbraw/zinc/17/29/61/1098172961.db2.gz MMAABDQPHOSKFW-IYBDPMFKSA-N 1 3 342.491 2.714 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609154349 1098172964 /nfs/dbraw/zinc/17/29/64/1098172964.db2.gz MMAABDQPHOSKFW-IYBDPMFKSA-N 1 3 342.491 2.714 20 0 EFADHO [NH3+]CCCCCC[NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609506106 1098364248 /nfs/dbraw/zinc/36/42/48/1098364248.db2.gz UEPGMNGYKRMXAN-KRWDZBQOSA-N 1 3 328.464 2.743 20 0 EFADHO [NH3+]CCCCCC[NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609506106 1098364254 /nfs/dbraw/zinc/36/42/54/1098364254.db2.gz UEPGMNGYKRMXAN-KRWDZBQOSA-N 1 3 328.464 2.743 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001104809353 1098636065 /nfs/dbraw/zinc/63/60/65/1098636065.db2.gz GDKPMDZTJBQPHL-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CC[C@H](C)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832856 1098712585 /nfs/dbraw/zinc/71/25/85/1098712585.db2.gz XTWTVFIDLKGDLG-QXAKKESOSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001104936471 1099084188 /nfs/dbraw/zinc/08/41/88/1099084188.db2.gz WQFMHWMJLHXMDK-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CN2CCC(C)CC2)c1 ZINC001481294764 1099100291 /nfs/dbraw/zinc/10/02/91/1099100291.db2.gz GFMXYNLQTORMLQ-GOSISDBHSA-N 1 3 331.504 2.836 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001482293444 1099158216 /nfs/dbraw/zinc/15/82/16/1099158216.db2.gz VVKMVEGLWFONNJ-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1)N(C)C ZINC001482294879 1099175692 /nfs/dbraw/zinc/17/56/92/1099175692.db2.gz NNUNPGPJYQAPLM-AEFFLSMTSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H](CNCc1cccnc1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001482311571 1099403162 /nfs/dbraw/zinc/40/31/62/1099403162.db2.gz APXZUZCHYXNMKR-QGZVFWFLSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC[NH2+]CCCF ZINC001105063944 1099532161 /nfs/dbraw/zinc/53/21/61/1099532161.db2.gz NXKMVRUDLXZSQS-IAGOWNOFSA-N 1 3 349.494 2.796 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1CC[NH2+]CC1CC1 ZINC001105064023 1099532281 /nfs/dbraw/zinc/53/22/81/1099532281.db2.gz RGDSJFPZVXSUHD-SJLPKXTDSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001105067325 1099541760 /nfs/dbraw/zinc/54/17/60/1099541760.db2.gz WYPBJIDMNRTXDE-XLTBQFETSA-N 1 3 341.927 2.688 20 0 EFADHO CN(C)C(=O)[C@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167991471 1099740007 /nfs/dbraw/zinc/74/00/07/1099740007.db2.gz AYDUKUQCQSJXAC-ZZJWQFMZSA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)C(=O)[C@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167991471 1099740015 /nfs/dbraw/zinc/74/00/15/1099740015.db2.gz AYDUKUQCQSJXAC-ZZJWQFMZSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536013 1099772884 /nfs/dbraw/zinc/77/28/84/1099772884.db2.gz MFYFVOURKSGTRQ-LPHOPBHVSA-N 1 3 332.492 2.607 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001075779558 1099776768 /nfs/dbraw/zinc/77/67/68/1099776768.db2.gz PUFRJRMSHWYSPD-IPMKNSEASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001075779558 1099776774 /nfs/dbraw/zinc/77/67/74/1099776774.db2.gz PUFRJRMSHWYSPD-IPMKNSEASA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001482357381 1099807553 /nfs/dbraw/zinc/80/75/53/1099807553.db2.gz ZIEDLPIMABUFIS-IUODEOHRSA-N 1 3 345.940 2.924 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001075784853 1099853851 /nfs/dbraw/zinc/85/38/51/1099853851.db2.gz JOWQJBJYYOTTRH-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001075784853 1099853856 /nfs/dbraw/zinc/85/38/56/1099853856.db2.gz JOWQJBJYYOTTRH-GBESFXJTSA-N 1 3 347.547 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001481455654 1099935930 /nfs/dbraw/zinc/93/59/30/1099935930.db2.gz AGLBWKLYMRGKJQ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001481455654 1099935938 /nfs/dbraw/zinc/93/59/38/1099935938.db2.gz AGLBWKLYMRGKJQ-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO CCN1CC2(CC1=O)CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001168001840 1099944156 /nfs/dbraw/zinc/94/41/56/1099944156.db2.gz JAPKQRUIIGJEJK-DFNIBXOVSA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CC2(CC1=O)CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001168001840 1099944163 /nfs/dbraw/zinc/94/41/63/1099944163.db2.gz JAPKQRUIIGJEJK-DFNIBXOVSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523317 1100163323 /nfs/dbraw/zinc/16/33/23/1100163323.db2.gz RHIWDBPMIAXURN-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523317 1100163326 /nfs/dbraw/zinc/16/33/26/1100163326.db2.gz RHIWDBPMIAXURN-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1Cc1ccc(Cl)cc1 ZINC001087523317 1100163328 /nfs/dbraw/zinc/16/33/28/1100163328.db2.gz RHIWDBPMIAXURN-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001087523317 1100163334 /nfs/dbraw/zinc/16/33/34/1100163334.db2.gz RHIWDBPMIAXURN-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001087523317 1100163338 /nfs/dbraw/zinc/16/33/38/1100163338.db2.gz RHIWDBPMIAXURN-KSZLIROESA-N 1 3 349.906 2.903 20 0 EFADHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC001270902569 1100189619 /nfs/dbraw/zinc/18/96/19/1100189619.db2.gz GQZWSNPUBOFZGD-RAFMOHDBSA-N 1 3 341.499 2.783 20 0 EFADHO O=C([C@H]1CCN1C1CCCCC1)N1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001270915890 1100260608 /nfs/dbraw/zinc/26/06/08/1100260608.db2.gz KGBVWUALINIHEO-LJQANCHMSA-N 1 3 345.531 2.870 20 0 EFADHO O=C([C@H]1CCN1C1CCCCC1)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001270915890 1100260611 /nfs/dbraw/zinc/26/06/11/1100260611.db2.gz KGBVWUALINIHEO-LJQANCHMSA-N 1 3 345.531 2.870 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(NC2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC001168011828 1100316427 /nfs/dbraw/zinc/31/64/27/1100316427.db2.gz SVZXEMQKSIZHAV-IIZJSDIPSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@@H]1CC([NH2+]CC(=O)N2CCCC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168012096 1100354444 /nfs/dbraw/zinc/35/44/44/1100354444.db2.gz VZQODVNETRBKDP-IAGOWNOFSA-N 1 3 329.488 2.640 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014066 1100415058 /nfs/dbraw/zinc/41/50/58/1100415058.db2.gz JKHXXAINJCKRNF-MBBYRJAFSA-N 1 3 330.472 2.969 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168014066 1100415060 /nfs/dbraw/zinc/41/50/60/1100415060.db2.gz JKHXXAINJCKRNF-MBBYRJAFSA-N 1 3 330.472 2.969 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(C(N)=O)cc1 ZINC000048712407 1100597278 /nfs/dbraw/zinc/59/72/78/1100597278.db2.gz JKECUHVZMVMFIQ-UHFFFAOYSA-N 1 3 325.456 2.916 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C(N)=O)cc1 ZINC000048712407 1100597284 /nfs/dbraw/zinc/59/72/84/1100597284.db2.gz JKECUHVZMVMFIQ-UHFFFAOYSA-N 1 3 325.456 2.916 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCN1C/C=C\Cl ZINC001087641842 1100620522 /nfs/dbraw/zinc/62/05/22/1100620522.db2.gz FUIXDECACXDZGL-RDLIDLCESA-N 1 3 332.835 2.670 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001087671697 1100652988 /nfs/dbraw/zinc/65/29/88/1100652988.db2.gz LQDZFLGXJJLTHA-IPMKNSEASA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC=C(C)C ZINC001087671697 1100652989 /nfs/dbraw/zinc/65/29/89/1100652989.db2.gz LQDZFLGXJJLTHA-IPMKNSEASA-N 1 3 333.520 2.796 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1ccsc1 ZINC001087712629 1100688519 /nfs/dbraw/zinc/68/85/19/1100688519.db2.gz SEJRPASVWZQPCF-DLBZAZTESA-N 1 3 335.517 2.559 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@@H+]1CC1CC1 ZINC001087723066 1100701221 /nfs/dbraw/zinc/70/12/21/1100701221.db2.gz AWADWTDBXBPOHW-FRQCXROJSA-N 1 3 339.499 2.578 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC[N@H+]1CC1CC1 ZINC001087723066 1100701223 /nfs/dbraw/zinc/70/12/23/1100701223.db2.gz AWADWTDBXBPOHW-FRQCXROJSA-N 1 3 339.499 2.578 20 0 EFADHO CC1(C)CC[N@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC001640388644 1101041249 /nfs/dbraw/zinc/04/12/49/1101041249.db2.gz KVKJYKLEVZKIOP-UHFFFAOYSA-N 1 3 338.455 2.709 20 0 EFADHO CC1(C)CC[N@@H+](CCNC(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC001640388644 1101041254 /nfs/dbraw/zinc/04/12/54/1101041254.db2.gz KVKJYKLEVZKIOP-UHFFFAOYSA-N 1 3 338.455 2.709 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c2ccccc2)CC1 ZINC001648966602 1101064286 /nfs/dbraw/zinc/06/42/86/1101064286.db2.gz HXGRFZAODVWKGE-MISYRCLQSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1C[C@@H](N2CCO[C@H](CN(C)C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039281 1101081210 /nfs/dbraw/zinc/08/12/10/1101081210.db2.gz CSKTYKRYGQQARE-KOUHRCEDSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1C[C@@H](N2CCO[C@H](CN(C)C)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039281 1101081217 /nfs/dbraw/zinc/08/12/17/1101081217.db2.gz CSKTYKRYGQQARE-KOUHRCEDSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC(=O)N2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039679 1101083554 /nfs/dbraw/zinc/08/35/54/1101083554.db2.gz HDHYGUJNHOLWHY-UKBAYJJMSA-N 1 3 329.488 2.686 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@H]2CCCC(=O)N2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039679 1101083563 /nfs/dbraw/zinc/08/35/63/1101083563.db2.gz HDHYGUJNHOLWHY-UKBAYJJMSA-N 1 3 329.488 2.686 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088011149 1101189372 /nfs/dbraw/zinc/18/93/72/1101189372.db2.gz AKCFVGNOKDMSOO-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)CC[C@@H]2C1)N(C)C ZINC001088011149 1101189376 /nfs/dbraw/zinc/18/93/76/1101189376.db2.gz AKCFVGNOKDMSOO-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C)CC[C@@H]2C1)N(C)C ZINC001088011107 1101189997 /nfs/dbraw/zinc/18/99/97/1101189997.db2.gz YPHMCOGYZXIVLL-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C)CC[C@@H]2C1)N(C)C ZINC001088011107 1101190001 /nfs/dbraw/zinc/19/00/01/1101190001.db2.gz YPHMCOGYZXIVLL-HSALFYBXSA-N 1 3 343.515 2.616 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001642491214 1101217654 /nfs/dbraw/zinc/21/76/54/1101217654.db2.gz YICQGUSVXIBGIB-HZPDHXFCSA-N 1 3 338.455 2.736 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001075344723 1101371261 /nfs/dbraw/zinc/37/12/61/1101371261.db2.gz RPIOZYVTBNBSAF-AZUAARDMSA-N 1 3 349.563 2.983 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001167385753 1101393312 /nfs/dbraw/zinc/39/33/12/1101393312.db2.gz RJYWNGKTSBIPIC-ZWIJEDICSA-N 1 3 341.927 2.878 20 0 EFADHO Cc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)c1 ZINC000066994851 1101479886 /nfs/dbraw/zinc/47/98/86/1101479886.db2.gz DREAWVAFRCWTAC-UHFFFAOYSA-N 1 3 339.483 2.885 20 0 EFADHO Cn1cc(CNCc2cccc(C[NH+](C)C)c2)c(-c2ccncc2)n1 ZINC000067185895 1101495562 /nfs/dbraw/zinc/49/55/62/1101495562.db2.gz PJARRVXRDRUZGC-UHFFFAOYSA-N 1 3 335.455 2.834 20 0 EFADHO Cn1cc(CNCc2cccc(C[NH+](C)C)c2)c(-c2cccnc2)n1 ZINC000067185941 1101496043 /nfs/dbraw/zinc/49/60/43/1101496043.db2.gz XWGQLRKQJHGUTE-UHFFFAOYSA-N 1 3 335.455 2.834 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088095514 1101508567 /nfs/dbraw/zinc/50/85/67/1101508567.db2.gz RRTRAUJXAQRMBB-FGTMMUONSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]2C1)N(C)C ZINC001088095514 1101508580 /nfs/dbraw/zinc/50/85/80/1101508580.db2.gz RRTRAUJXAQRMBB-FGTMMUONSA-N 1 3 349.544 2.615 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088095539 1101509089 /nfs/dbraw/zinc/50/90/89/1101509089.db2.gz SVHFUBZQXKVYNV-CEXWTWQISA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)N(C)C ZINC001088095539 1101509090 /nfs/dbraw/zinc/50/90/90/1101509090.db2.gz SVHFUBZQXKVYNV-CEXWTWQISA-N 1 3 349.563 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088095515 1101509193 /nfs/dbraw/zinc/50/91/93/1101509193.db2.gz RTUPPRPUWAOJPC-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088095515 1101509198 /nfs/dbraw/zinc/50/91/98/1101509198.db2.gz RTUPPRPUWAOJPC-HSALFYBXSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2csc(Br)c2)CC1 ZINC000067671528 1101550711 /nfs/dbraw/zinc/55/07/11/1101550711.db2.gz WLLXBPDXBBTHPK-LBPRGKRZSA-N 1 3 346.338 2.626 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC(C)(C)C)CC[C@@H]3C2)C1 ZINC001088106628 1101560897 /nfs/dbraw/zinc/56/08/97/1101560897.db2.gz KBAMTMVYYLZDNA-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC(C)(C)C)CC[C@@H]3C2)C1 ZINC001088106628 1101560909 /nfs/dbraw/zinc/56/09/09/1101560909.db2.gz KBAMTMVYYLZDNA-KURKYZTESA-N 1 3 335.536 2.545 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130053 1101622205 /nfs/dbraw/zinc/62/22/05/1101622205.db2.gz UCVHPODWLSMJSZ-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088130053 1101622209 /nfs/dbraw/zinc/62/22/09/1101622209.db2.gz UCVHPODWLSMJSZ-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129935 1101623154 /nfs/dbraw/zinc/62/31/54/1101623154.db2.gz NDUCHIOVEPKINU-QYZOEREBSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3C(C)C)C[C@@H]2C1 ZINC001088129935 1101623160 /nfs/dbraw/zinc/62/31/60/1101623160.db2.gz NDUCHIOVEPKINU-QYZOEREBSA-N 1 3 335.536 2.686 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)CC1 ZINC000069785253 1101736812 /nfs/dbraw/zinc/73/68/12/1101736812.db2.gz LMKBCFVZEWFGLE-UHFFFAOYSA-N 1 3 327.447 2.863 20 0 EFADHO COc1ccc(C[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000069785271 1101737305 /nfs/dbraw/zinc/73/73/05/1101737305.db2.gz ALIKGNUEBKLWIW-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO C[NH2+]Cc1cn(-c2nc(Cl)nc3c2CNCC3)c2ccc(C)cc12 ZINC001167120786 1101786254 /nfs/dbraw/zinc/78/62/54/1101786254.db2.gz AWSTVIJKDSKZOO-UHFFFAOYSA-N 1 3 341.846 2.747 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001088212789 1101894601 /nfs/dbraw/zinc/89/46/01/1101894601.db2.gz PVQSQFTZFYUYQY-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)CC[C@@H]2C1 ZINC001088212789 1101894614 /nfs/dbraw/zinc/89/46/14/1101894614.db2.gz PVQSQFTZFYUYQY-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)N(C)C ZINC001346224201 1101895949 /nfs/dbraw/zinc/89/59/49/1101895949.db2.gz GGYSGEOENDMZLM-IINYFYTJSA-N 1 3 333.245 2.551 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001104348614 1101997366 /nfs/dbraw/zinc/99/73/66/1101997366.db2.gz LBSGPQGAVQSFHR-KZNAEPCWSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@@H]3C)CC2)cs1 ZINC001167224241 1102078459 /nfs/dbraw/zinc/07/84/59/1102078459.db2.gz HUGPTMVSLMJETP-HNNXBMFYSA-N 1 3 349.544 2.917 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001167224502 1102080184 /nfs/dbraw/zinc/08/01/84/1102080184.db2.gz LFWZDQAKRKRIKT-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1 ZINC001167224408 1102080601 /nfs/dbraw/zinc/08/06/01/1102080601.db2.gz JATRRDRQBVWGME-KRWDZBQOSA-N 1 3 333.520 2.847 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CCC2CCCC2)CC1 ZINC001167225221 1102082711 /nfs/dbraw/zinc/08/27/11/1102082711.db2.gz QSRHKXALEZXUBG-KRWDZBQOSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167225256 1102084211 /nfs/dbraw/zinc/08/42/11/1102084211.db2.gz RYZSHQVOJUDLRJ-KRWDZBQOSA-N 1 3 347.547 2.927 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001167225689 1102085472 /nfs/dbraw/zinc/08/54/72/1102085472.db2.gz XHWVHFXWIAOICG-MRXNPFEDSA-N 1 3 347.478 2.686 20 0 EFADHO CCC/C=C\CC[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232982 1102100950 /nfs/dbraw/zinc/10/09/50/1102100950.db2.gz XDQUBRBAAYJCPO-OOFWQKGWSA-N 1 3 335.536 2.951 20 0 EFADHO CC[C@H](C)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240191 1102124767 /nfs/dbraw/zinc/12/47/67/1102124767.db2.gz FBQQMOQXKGQDHK-INIZCTEOSA-N 1 3 325.541 2.887 20 0 EFADHO CC[C@@H](C)C[NH2+]CC1(CCNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001167240192 1102125759 /nfs/dbraw/zinc/12/57/59/1102125759.db2.gz FBQQMOQXKGQDHK-MRXNPFEDSA-N 1 3 325.541 2.887 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1)N(C)C ZINC001167260648 1102185799 /nfs/dbraw/zinc/18/57/99/1102185799.db2.gz CKAXMWYXZJURKB-SFHVURJKSA-N 1 3 331.504 2.711 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCF)C1 ZINC001104362945 1102215193 /nfs/dbraw/zinc/21/51/93/1102215193.db2.gz QKLWQSGXCAGQHP-IAGOWNOFSA-N 1 3 343.531 2.931 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CC2(C1)CCN(CCCC(F)(F)F)C2 ZINC001271676732 1102235960 /nfs/dbraw/zinc/23/59/60/1102235960.db2.gz QVDNMALRSWJXES-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CC[C@@H](C)C[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001648970680 1102253490 /nfs/dbraw/zinc/25/34/90/1102253490.db2.gz SXHOBILEVAKHQW-ZBFHGGJFSA-N 1 3 332.492 2.895 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCC2)C12CCC2)CC(C)(C)C ZINC001203425552 1102283637 /nfs/dbraw/zinc/28/36/37/1102283637.db2.gz CPMQLZXWLYHYKN-IAGOWNOFSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccccc2C)CC1 ZINC001167480661 1102302265 /nfs/dbraw/zinc/30/22/65/1102302265.db2.gz PJYNOCLPRLESGY-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001167480897 1102304111 /nfs/dbraw/zinc/30/41/11/1102304111.db2.gz WKAIOCQMBNJMNJ-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCc1ccc(C[NH2+]CC2(CCNC(=O)CN(CC)CC)CC2)cc1 ZINC001167481043 1102311311 /nfs/dbraw/zinc/31/13/11/1102311311.db2.gz XYDGMAHVIAXRBZ-UHFFFAOYSA-N 1 3 345.531 2.967 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001167481037 1102311916 /nfs/dbraw/zinc/31/19/16/1102311916.db2.gz XTQAIPRCLFPHCR-HNNXBMFYSA-N 1 3 345.478 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccccc1F ZINC001482498182 1102374603 /nfs/dbraw/zinc/37/46/03/1102374603.db2.gz LSVVJNDFAUJPKO-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccccc1F ZINC001482498180 1102376171 /nfs/dbraw/zinc/37/61/71/1102376171.db2.gz LSVVJNDFAUJPKO-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccccc1F ZINC001482498179 1102376571 /nfs/dbraw/zinc/37/65/71/1102376571.db2.gz LSVVJNDFAUJPKO-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482499915 1102416023 /nfs/dbraw/zinc/41/60/23/1102416023.db2.gz RQFRNIUDXMTKQH-LPHOPBHVSA-N 1 3 349.494 2.884 20 0 EFADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001112507079 1102442802 /nfs/dbraw/zinc/44/28/02/1102442802.db2.gz VQCMEZKIRDRJKA-PXNSSMCTSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C)N(C)C ZINC001266880855 1102572925 /nfs/dbraw/zinc/57/29/25/1102572925.db2.gz PXLDJLUJXAYBGX-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC1CC(C[NH2+]CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1 ZINC001104287575 1102587220 /nfs/dbraw/zinc/58/72/20/1102587220.db2.gz HNHOZFGRWNDHGJ-GPQLOAJWSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCNC(=O)CCC[NH+](C)C ZINC001480907141 1102800609 /nfs/dbraw/zinc/80/06/09/1102800609.db2.gz HBYBWOPNMNSTEI-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccccc1F ZINC001482531984 1102841456 /nfs/dbraw/zinc/84/14/56/1102841456.db2.gz CZESWNBCJYAZDI-SFHVURJKSA-N 1 3 335.467 2.540 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291599 1102856358 /nfs/dbraw/zinc/85/63/58/1102856358.db2.gz PNFFBLTXWKKHAM-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104291951 1102859354 /nfs/dbraw/zinc/85/93/54/1102859354.db2.gz BCYFVEFRHOVQSE-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001104292263 1102864308 /nfs/dbraw/zinc/86/43/08/1102864308.db2.gz RGHRRHDJSYCUNZ-ATZDWAIDSA-N 1 3 349.563 2.837 20 0 EFADHO CCC(CC)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294208 1102875474 /nfs/dbraw/zinc/87/54/74/1102875474.db2.gz CSDFASNYVUFHKV-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001210811642 1102889184 /nfs/dbraw/zinc/88/91/84/1102889184.db2.gz PMANDDDYXLQIRZ-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001088327878 1102936514 /nfs/dbraw/zinc/93/65/14/1102936514.db2.gz ZICNMQVEVAXAPC-WMZOPIPTSA-N 1 3 339.499 2.724 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCCCC[C@H](NCCF)C1 ZINC001088327878 1102936518 /nfs/dbraw/zinc/93/65/18/1102936518.db2.gz ZICNMQVEVAXAPC-WMZOPIPTSA-N 1 3 339.499 2.724 20 0 EFADHO O[C@@H](CCOCc1ccccc1)CNC1CC[NH+](C2CCC2)CC1 ZINC000905280253 1103024655 /nfs/dbraw/zinc/02/46/55/1103024655.db2.gz MVUZTPGUGYSFMV-FQEVSTJZSA-N 1 3 332.488 2.561 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271940531 1103129344 /nfs/dbraw/zinc/12/93/44/1103129344.db2.gz JWHTUNFHKJCUCJ-FFGOWVMKSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001483263491 1103183833 /nfs/dbraw/zinc/18/38/33/1103183833.db2.gz VOSSUSZMNORZLJ-RZQQEMMASA-N 1 3 345.531 2.917 20 0 EFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)N3CCCCCC3)[C@@H]2C1 ZINC001271975797 1103328635 /nfs/dbraw/zinc/32/86/35/1103328635.db2.gz JRTFNAAZDVZUTD-ZCNNSNEGSA-N 1 3 341.499 2.766 20 0 EFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](c3ccccc3)N3CCCCCC3)[C@@H]2C1 ZINC001271975797 1103328648 /nfs/dbraw/zinc/32/86/48/1103328648.db2.gz JRTFNAAZDVZUTD-ZCNNSNEGSA-N 1 3 341.499 2.766 20 0 EFADHO CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381480 1103333322 /nfs/dbraw/zinc/33/33/22/1103333322.db2.gz FVDDPBWJTZLJGU-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381479 1103334031 /nfs/dbraw/zinc/33/40/31/1103334031.db2.gz FVDDPBWJTZLJGU-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CCCCC[C@@H]([NH2+]CCF)C2)C1 ZINC001088382045 1103338477 /nfs/dbraw/zinc/33/84/77/1103338477.db2.gz SRKMPAROCQAAHL-QAPCUYQASA-N 1 3 345.478 2.529 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001088390203 1103378564 /nfs/dbraw/zinc/37/85/64/1103378564.db2.gz IFJOGFFCOYOBCB-GOSISDBHSA-N 1 3 340.471 2.822 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001088390529 1103381357 /nfs/dbraw/zinc/38/13/57/1103381357.db2.gz PHWREDWCYKQPFL-HNNXBMFYSA-N 1 3 346.500 2.617 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001105423511 1103423975 /nfs/dbraw/zinc/42/39/75/1103423975.db2.gz YRQQKKGYRCKLHB-SBHAEUEKSA-N 1 3 343.515 2.685 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088411664 1103487799 /nfs/dbraw/zinc/48/77/99/1103487799.db2.gz MVSNUYAYBWNNGU-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H](NCCF)C1 ZINC001088411664 1103487804 /nfs/dbraw/zinc/48/78/04/1103487804.db2.gz MVSNUYAYBWNNGU-ZWKOTPCHSA-N 1 3 341.515 2.971 20 0 EFADHO C[C@@H](CN(C)C/C=C\c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483394043 1103590277 /nfs/dbraw/zinc/59/02/77/1103590277.db2.gz VPSABEWCYKMKPM-VOCYLRNQSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H](CN(C)C/C=C/c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483394034 1103590632 /nfs/dbraw/zinc/59/06/32/1103590632.db2.gz VPSABEWCYKMKPM-HKMNZKMDSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1F ZINC001483421647 1103674009 /nfs/dbraw/zinc/67/40/09/1103674009.db2.gz TWYMHBVYSGLNQJ-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000906091875 1103893993 /nfs/dbraw/zinc/89/39/93/1103893993.db2.gz ZSRGZPDCRPORPL-YTQUADARSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000906091875 1103894004 /nfs/dbraw/zinc/89/40/04/1103894004.db2.gz ZSRGZPDCRPORPL-YTQUADARSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001483565573 1103961131 /nfs/dbraw/zinc/96/11/31/1103961131.db2.gz FXFIZODMVCIZQE-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001127066904 1103971732 /nfs/dbraw/zinc/97/17/32/1103971732.db2.gz UTIOZCFQWQSTHA-MRXNPFEDSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001127066904 1103971737 /nfs/dbraw/zinc/97/17/37/1103971737.db2.gz UTIOZCFQWQSTHA-MRXNPFEDSA-N 1 3 341.858 2.558 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1C)N(C)C ZINC001663103447 1103979406 /nfs/dbraw/zinc/97/94/06/1103979406.db2.gz BFZPERUIHXDFKQ-MOPGFXCFSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cccnc1C)N(C)C ZINC001663103447 1103979413 /nfs/dbraw/zinc/97/94/13/1103979413.db2.gz BFZPERUIHXDFKQ-MOPGFXCFSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@H](NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001483583098 1104005932 /nfs/dbraw/zinc/00/59/32/1104005932.db2.gz IWEUGKSSWKFBRA-KSSFIOAISA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001127081764 1104073042 /nfs/dbraw/zinc/07/30/42/1104073042.db2.gz BEADBZFPPCVLIP-CXAGYDPISA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)c1ccc(F)c(F)c1 ZINC001127081764 1104073055 /nfs/dbraw/zinc/07/30/55/1104073055.db2.gz BEADBZFPPCVLIP-CXAGYDPISA-N 1 3 339.430 2.604 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001105438619 1104098716 /nfs/dbraw/zinc/09/87/16/1104098716.db2.gz LMNAERNBXXDJEB-HFSMHLIXSA-N 1 3 343.515 2.544 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001105439057 1104099628 /nfs/dbraw/zinc/09/96/28/1104099628.db2.gz XPJVVIKJVGORQW-HFSMHLIXSA-N 1 3 343.515 2.687 20 0 EFADHO O=C([C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1)N1CCCCC1 ZINC001168380832 1104138308 /nfs/dbraw/zinc/13/83/08/1104138308.db2.gz UQTKPGGJNXGDCR-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@](C[NH2+]C(C)C)(c2ccccc2)C1 ZINC001105443134 1104161762 /nfs/dbraw/zinc/16/17/62/1104161762.db2.gz YOLIREWVSSWPGJ-PUZFROQSSA-N 1 3 331.504 2.543 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@](C[NH2+]CC2CC2)(c2ccccc2)C1 ZINC001105447922 1104215203 /nfs/dbraw/zinc/21/52/03/1104215203.db2.gz RZKQPJRJDCCZDL-TYKWCNGQSA-N 1 3 343.515 2.543 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)[C@H]2C)c1 ZINC001088563652 1104554537 /nfs/dbraw/zinc/55/45/37/1104554537.db2.gz YIUAQHKZBNDMFP-YZGWKJHDSA-N 1 3 343.515 2.947 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)[C@H]2C)c1 ZINC001088563652 1104554543 /nfs/dbraw/zinc/55/45/43/1104554543.db2.gz YIUAQHKZBNDMFP-YZGWKJHDSA-N 1 3 343.515 2.947 20 0 EFADHO Cc1ccc(CN(C)[C@H](C)CNC(=O)CC2CC[NH+](C)CC2)cc1F ZINC001409653898 1104598172 /nfs/dbraw/zinc/59/81/72/1104598172.db2.gz YHKBSNICXDWFAV-MRXNPFEDSA-N 1 3 349.494 2.803 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CCc1cccs1 ZINC001482652354 1104745235 /nfs/dbraw/zinc/74/52/35/1104745235.db2.gz UXEOJUUATPQGCC-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CCc1cccs1 ZINC001482652354 1104745238 /nfs/dbraw/zinc/74/52/38/1104745238.db2.gz UXEOJUUATPQGCC-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C)[C@@H]1C ZINC001088605373 1104850776 /nfs/dbraw/zinc/85/07/76/1104850776.db2.gz QZVGSLIJWCQAMR-YZGWKJHDSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H]1C ZINC001088605373 1104850784 /nfs/dbraw/zinc/85/07/84/1104850784.db2.gz QZVGSLIJWCQAMR-YZGWKJHDSA-N 1 3 343.515 2.948 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(-c2ccccc2)s1 ZINC000083052571 1105245499 /nfs/dbraw/zinc/24/54/99/1105245499.db2.gz LRRGYEOSZGCJAZ-OAHLLOKOSA-N 1 3 343.500 2.699 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000988956319 1105400487 /nfs/dbraw/zinc/40/04/87/1105400487.db2.gz PTCHEEIORVJZHD-CXAGYDPISA-N 1 3 349.544 2.928 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN(C)C1CCC1 ZINC000988956329 1105400556 /nfs/dbraw/zinc/40/05/56/1105400556.db2.gz PUFBFXOTNLVJOB-DOTOQJQBSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988958302 1105401978 /nfs/dbraw/zinc/40/19/78/1105401978.db2.gz JHXKJJAACMUHIB-IEBWSBKVSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988964826 1105409700 /nfs/dbraw/zinc/40/97/00/1105409700.db2.gz FMHYCLHQTNLMLL-CRAIPNDOSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000988968903 1105412596 /nfs/dbraw/zinc/41/25/96/1105412596.db2.gz SUFLJWLRZLEEAJ-CJNGLKHVSA-N 1 3 335.517 2.620 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622307 1105533240 /nfs/dbraw/zinc/53/32/40/1105533240.db2.gz POZCHNZDJCUEEO-NZSAHSFTSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622307 1105533245 /nfs/dbraw/zinc/53/32/45/1105533245.db2.gz POZCHNZDJCUEEO-NZSAHSFTSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622306 1105533297 /nfs/dbraw/zinc/53/32/97/1105533297.db2.gz POZCHNZDJCUEEO-NEWSRXKRSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622306 1105533301 /nfs/dbraw/zinc/53/33/01/1105533301.db2.gz POZCHNZDJCUEEO-NEWSRXKRSA-N 1 3 333.520 2.939 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001030019545 1105567339 /nfs/dbraw/zinc/56/73/39/1105567339.db2.gz WYSFGBMNPBUHOU-FHLIZLRMSA-N 1 3 335.467 2.808 20 0 EFADHO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000925304722 1105641069 /nfs/dbraw/zinc/64/10/69/1105641069.db2.gz XSZPDWOFMXGQBV-AUUYWEPGSA-N 1 3 335.467 2.854 20 0 EFADHO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000925304743 1105643556 /nfs/dbraw/zinc/64/35/56/1105643556.db2.gz XSZPDWOFMXGQBV-LIRRHRJNSA-N 1 3 335.467 2.854 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000897570535 1105757549 /nfs/dbraw/zinc/75/75/49/1105757549.db2.gz VVFSOLIDMWGYIG-HKUYNNGSSA-N 1 3 347.503 2.677 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105568175 1105947751 /nfs/dbraw/zinc/94/77/51/1105947751.db2.gz HLCWAGGLKNAJAN-KRWDZBQOSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449172 1106182548 /nfs/dbraw/zinc/18/25/48/1106182548.db2.gz DNWMJGGOCNOTTQ-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2F)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449172 1106182554 /nfs/dbraw/zinc/18/25/54/1106182554.db2.gz DNWMJGGOCNOTTQ-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000989449416 1106185668 /nfs/dbraw/zinc/18/56/68/1106185668.db2.gz HDQOQZFSMAQKAR-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451092 1106220305 /nfs/dbraw/zinc/22/03/05/1106220305.db2.gz QYGIWNDBSTXZKG-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000989452514 1106229778 /nfs/dbraw/zinc/22/97/78/1106229778.db2.gz ZQYVXYGUEMEGRR-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452393 1106230026 /nfs/dbraw/zinc/23/00/26/1106230026.db2.gz YYRIQVZAMUBLPP-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000159057680 1106275739 /nfs/dbraw/zinc/27/57/39/1106275739.db2.gz VPICCQDLGJGETC-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCc3cccc(C(N)=O)c3)CC2)C1 ZINC000089546837 1106301846 /nfs/dbraw/zinc/30/18/46/1106301846.db2.gz ZLMVMQIFGGMVIP-OXJNMPFZSA-N 1 3 343.515 2.961 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000989475329 1106344938 /nfs/dbraw/zinc/34/49/38/1106344938.db2.gz RWGFFIRSPPJUMF-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(CN2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000989475329 1106344941 /nfs/dbraw/zinc/34/49/41/1106344941.db2.gz RWGFFIRSPPJUMF-LJQANCHMSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492767 1106367422 /nfs/dbraw/zinc/36/74/22/1106367422.db2.gz OWLWISJKKDEWQZ-CRAIPNDOSA-N 1 3 332.492 2.892 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302585 1106437129 /nfs/dbraw/zinc/43/71/29/1106437129.db2.gz VTRSDAWELXZEFB-GOSISDBHSA-N 1 3 349.494 2.986 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)cs1 ZINC000989605056 1106481170 /nfs/dbraw/zinc/48/11/70/1106481170.db2.gz HURRGGLIZISYDX-QAPCUYQASA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H](NCc3ccsc3)C[C@@H]2C)CC1 ZINC000989634864 1106498153 /nfs/dbraw/zinc/49/81/53/1106498153.db2.gz JEOMIFVYJXVGHH-YJBOKZPZSA-N 1 3 349.544 2.948 20 0 EFADHO CC(C)CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989732561 1106596849 /nfs/dbraw/zinc/59/68/49/1106596849.db2.gz ZXYQZGQMHMNLGL-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989732561 1106596852 /nfs/dbraw/zinc/59/68/52/1106596852.db2.gz ZXYQZGQMHMNLGL-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000989728109 1106601364 /nfs/dbraw/zinc/60/13/64/1106601364.db2.gz BDXFXEHEQURXGD-IRXDYDNUSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000989728909 1106602547 /nfs/dbraw/zinc/60/25/47/1106602547.db2.gz ZDQBOGWTUKEMRR-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CCC2CCCC2)CC1 ZINC000989728909 1106602546 /nfs/dbraw/zinc/60/25/46/1106602546.db2.gz ZDQBOGWTUKEMRR-HDICACEKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728709 1106602563 /nfs/dbraw/zinc/60/25/63/1106602563.db2.gz SJPQZFGSUAMPSX-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC000989728709 1106602564 /nfs/dbraw/zinc/60/25/64/1106602564.db2.gz SJPQZFGSUAMPSX-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730019 1106603143 /nfs/dbraw/zinc/60/31/43/1106603143.db2.gz KCSGLZZBUJTSPW-MRXNPFEDSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000989730019 1106603145 /nfs/dbraw/zinc/60/31/45/1106603145.db2.gz KCSGLZZBUJTSPW-MRXNPFEDSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)CN1CCCC1 ZINC000989801246 1106657657 /nfs/dbraw/zinc/65/76/57/1106657657.db2.gz ZWSMGCWUGXAGIS-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000989825591 1106699052 /nfs/dbraw/zinc/69/90/52/1106699052.db2.gz HVKNNWAIRZRRPS-DNVCBOLYSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989828589 1106701296 /nfs/dbraw/zinc/70/12/96/1106701296.db2.gz GIEYGYAMICATQM-SJLPKXTDSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)c1 ZINC001168320845 1106715938 /nfs/dbraw/zinc/71/59/38/1106715938.db2.gz SKSQGDLYKUJKGE-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860577 1106751508 /nfs/dbraw/zinc/75/15/08/1106751508.db2.gz RJMOSEVGRMNOGE-VKJFTORMSA-N 1 3 327.488 2.578 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001088860577 1106751519 /nfs/dbraw/zinc/75/15/19/1106751519.db2.gz RJMOSEVGRMNOGE-VKJFTORMSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860697 1106753587 /nfs/dbraw/zinc/75/35/87/1106753587.db2.gz XYBSISYJCBNXMK-GJYPPUQNSA-N 1 3 339.499 2.744 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860697 1106753603 /nfs/dbraw/zinc/75/36/03/1106753603.db2.gz XYBSISYJCBNXMK-GJYPPUQNSA-N 1 3 339.499 2.744 20 0 EFADHO C[C@H](F)CC[NH2+]CC1(CCNC(=O)c2ccccc2CN(C)C)CC1 ZINC001168327173 1106884426 /nfs/dbraw/zinc/88/44/26/1106884426.db2.gz VGMGJGPGVDZLKT-INIZCTEOSA-N 1 3 349.494 2.986 20 0 EFADHO C[NH+](C)C1CCC(N2CC[C@@](F)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC001168330535 1106977164 /nfs/dbraw/zinc/97/71/64/1106977164.db2.gz RRZHSEVEDORPTR-JTTJXQCZSA-N 1 3 343.487 2.798 20 0 EFADHO COc1ccc(Cl)c2c1CCC[C@H]2NCC1(O)CC[NH+](C)CC1 ZINC000903099693 1106982030 /nfs/dbraw/zinc/98/20/30/1106982030.db2.gz LNENIOJQINQVJI-OAHLLOKOSA-N 1 3 338.879 2.772 20 0 EFADHO C[NH+](C)C1CCC(N2CC[C@@H](n3cc(Br)cn3)C2)CC1 ZINC001168331074 1107027957 /nfs/dbraw/zinc/02/79/57/1107027957.db2.gz YFNRBOFYHFKIED-YMAMQOFZSA-N 1 3 341.297 2.765 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]Cc2ccccc2)CC1 ZINC001168335214 1107156872 /nfs/dbraw/zinc/15/68/72/1107156872.db2.gz BRNCXRMDKGNTOI-LJQANCHMSA-N 1 3 343.515 2.937 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CCCCCF)CC1 ZINC001168335482 1107158871 /nfs/dbraw/zinc/15/88/71/1107158871.db2.gz KKDSEMVEUDTISU-KRWDZBQOSA-N 1 3 341.515 2.877 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCCC2)CC1 ZINC001168335794 1107169131 /nfs/dbraw/zinc/16/91/31/1107169131.db2.gz UELDDKYEPMBBSN-SFHVURJKSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)[C@@H]1C ZINC001088970810 1107176476 /nfs/dbraw/zinc/17/64/76/1107176476.db2.gz OZLZYTAMAPVISY-IKGGRYGDSA-N 1 3 327.488 2.580 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1C ZINC001088970810 1107176478 /nfs/dbraw/zinc/17/64/78/1107176478.db2.gz OZLZYTAMAPVISY-IKGGRYGDSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058692 1107372449 /nfs/dbraw/zinc/37/24/49/1107372449.db2.gz DQDFIXHNWXJFAO-DAYGRLMNSA-N 1 3 335.467 2.689 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001089058692 1107372463 /nfs/dbraw/zinc/37/24/63/1107372463.db2.gz DQDFIXHNWXJFAO-DAYGRLMNSA-N 1 3 335.467 2.689 20 0 EFADHO CCc1ccc(C[NH2+]CC2(CCNC(=O)CN(C)C(C)C)CC2)cc1 ZINC001168345248 1107382522 /nfs/dbraw/zinc/38/25/22/1107382522.db2.gz LLSIUYFPUBQIBX-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000311036884 1107473218 /nfs/dbraw/zinc/47/32/18/1107473218.db2.gz OJIJZKSGQWFMIT-HOJAQTOUSA-N 1 3 343.515 2.936 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)s1 ZINC000990243686 1107552755 /nfs/dbraw/zinc/55/27/55/1107552755.db2.gz JALDQWGTSIMLRO-QGZVFWFLSA-N 1 3 335.517 2.540 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000990244984 1107553966 /nfs/dbraw/zinc/55/39/66/1107553966.db2.gz SQEIPFXCCVCDLQ-KBXCAEBGSA-N 1 3 333.451 2.562 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000990276839 1107587193 /nfs/dbraw/zinc/58/71/93/1107587193.db2.gz JZCSSLFNGVVHQN-SFHVURJKSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990279113 1107589847 /nfs/dbraw/zinc/58/98/47/1107589847.db2.gz VMPQQIXZACSRLX-GOSISDBHSA-N 1 3 349.906 2.823 20 0 EFADHO COc1cc(C[NH2+]CC2(N)CC2)ccc1OCc1ccc(F)cc1 ZINC000904448617 1107946621 /nfs/dbraw/zinc/94/66/21/1107946621.db2.gz CQQQSUNSIMRYDR-UHFFFAOYSA-N 1 3 330.403 2.994 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000904468431 1107958671 /nfs/dbraw/zinc/95/86/71/1107958671.db2.gz CKLMUNXOOIFIHP-YZGWKJHDSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccc(C)c(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000904472066 1107960711 /nfs/dbraw/zinc/96/07/11/1107960711.db2.gz GFYLIPNLKVJKDQ-SFHVURJKSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cc(C)cc(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000904473255 1107962364 /nfs/dbraw/zinc/96/23/64/1107962364.db2.gz QRVCSKPRISZVER-GOSISDBHSA-N 1 3 343.515 2.680 20 0 EFADHO CCOC(=O)Cc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168356083 1107964237 /nfs/dbraw/zinc/96/42/37/1107964237.db2.gz KKLPAOFHRASMNN-UHFFFAOYSA-N 1 3 330.472 2.756 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1ccccc1C[NH3+])c1ccco1 ZINC000904637071 1108075028 /nfs/dbraw/zinc/07/50/28/1108075028.db2.gz IAEHPBCFMCPUAI-BBRMVZONSA-N 1 3 330.432 2.989 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001272416221 1108233526 /nfs/dbraw/zinc/23/35/26/1108233526.db2.gz YCJDBIIYVJQKOQ-ICSRJNTNSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CCC[C@H](C)C[N@H+]1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001272416221 1108233537 /nfs/dbraw/zinc/23/35/37/1108233537.db2.gz YCJDBIIYVJQKOQ-ICSRJNTNSA-N 1 3 335.536 2.997 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272422897 1108254951 /nfs/dbraw/zinc/25/49/51/1108254951.db2.gz AMXVOLVECGMHIZ-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272422897 1108254961 /nfs/dbraw/zinc/25/49/61/1108254961.db2.gz AMXVOLVECGMHIZ-NRFANRHFSA-N 1 3 343.515 2.975 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC001089261811 1108297478 /nfs/dbraw/zinc/29/74/78/1108297478.db2.gz QZNIPWXWFPQFEB-ROUUACIJSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC001089261811 1108297485 /nfs/dbraw/zinc/29/74/85/1108297485.db2.gz QZNIPWXWFPQFEB-ROUUACIJSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)C[NH+]1CCC(NC[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905066433 1108388740 /nfs/dbraw/zinc/38/87/40/1108388740.db2.gz QOKYPTQPPMCNSY-FQEVSTJZSA-N 1 3 334.504 2.664 20 0 EFADHO Cc1cccc([C@H](O)CNCc2ccccc2OCC[NH+](C)C)c1 ZINC000905075004 1108398939 /nfs/dbraw/zinc/39/89/39/1108398939.db2.gz IBJXVSVFNFXLJF-LJQANCHMSA-N 1 3 328.456 2.759 20 0 EFADHO CCCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272470144 1108422946 /nfs/dbraw/zinc/42/29/46/1108422946.db2.gz FNHLFIWWOYNAMR-HXUWFJFHSA-N 1 3 329.488 2.729 20 0 EFADHO CCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272470144 1108422949 /nfs/dbraw/zinc/42/29/49/1108422949.db2.gz FNHLFIWWOYNAMR-HXUWFJFHSA-N 1 3 329.488 2.729 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@](C)(O)C(F)F ZINC000905165695 1108485450 /nfs/dbraw/zinc/48/54/50/1108485450.db2.gz DZCHEKUFEBYCER-LBTNJELSSA-N 1 3 326.431 2.749 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134257 1108559658 /nfs/dbraw/zinc/55/96/58/1108559658.db2.gz XEYXFOUZKDFLGG-RCCFBDPRSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088770197 1108733588 /nfs/dbraw/zinc/73/35/88/1108733588.db2.gz CDOSCFHVRLMMRY-BPQIPLTHSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001088770197 1108733599 /nfs/dbraw/zinc/73/35/99/1108733599.db2.gz CDOSCFHVRLMMRY-BPQIPLTHSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001075335581 1108782376 /nfs/dbraw/zinc/78/23/76/1108782376.db2.gz PRYIRJGRXUJYJV-AEFFLSMTSA-N 1 3 340.471 2.535 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1)N(C)C ZINC001030020901 1108839446 /nfs/dbraw/zinc/83/94/46/1108839446.db2.gz KXLZGTWAVZIMGB-HRCADAONSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001088792175 1108855839 /nfs/dbraw/zinc/85/58/39/1108855839.db2.gz YVAKHBQSQGPHTP-AEFFLSMTSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C(C)(C)N2CCCC2)CC[N@H+]1CC1=CCCCC1 ZINC001088792175 1108855844 /nfs/dbraw/zinc/85/58/44/1108855844.db2.gz YVAKHBQSQGPHTP-AEFFLSMTSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088792170 1108856023 /nfs/dbraw/zinc/85/60/23/1108856023.db2.gz YMHTWZIJGZGAPB-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1C ZINC001088792170 1108856027 /nfs/dbraw/zinc/85/60/27/1108856027.db2.gz YMHTWZIJGZGAPB-MJGOQNOKSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2ccccc2c1)NC(=O)C1(N(C)C)CCC1 ZINC001483136004 1109607385 /nfs/dbraw/zinc/60/73/85/1109607385.db2.gz ZLDNFSQMWBQRKG-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324086 1109767700 /nfs/dbraw/zinc/76/77/00/1109767700.db2.gz MZAZKLDOJKHUSO-GBESFXJTSA-N 1 3 333.520 2.750 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001483167353 1109924405 /nfs/dbraw/zinc/92/44/05/1109924405.db2.gz ZBIKVASIFRKCCL-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1 ZINC001088836321 1110068164 /nfs/dbraw/zinc/06/81/64/1110068164.db2.gz QKVWGUFUHTUZSG-UZLBHIALSA-N 1 3 343.515 2.670 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2Cl)CC1 ZINC001483747261 1111187174 /nfs/dbraw/zinc/18/71/74/1111187174.db2.gz RJGANONOYNRNJH-MRXNPFEDSA-N 1 3 335.879 2.563 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCC1CCCCC1 ZINC001106249605 1111218729 /nfs/dbraw/zinc/21/87/29/1111218729.db2.gz LQZYZCMLCCYBHD-NSISKUIASA-N 1 3 349.563 2.981 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001106249468 1111219289 /nfs/dbraw/zinc/21/92/89/1111219289.db2.gz IPUSTHHNSUBUAU-AHRSYUTCSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1cccc(CCC[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127322517 1111416726 /nfs/dbraw/zinc/41/67/26/1111416726.db2.gz RXYLVEBKIYATOP-UHFFFAOYSA-N 1 3 345.531 2.898 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336625 1111425498 /nfs/dbraw/zinc/42/54/98/1111425498.db2.gz XGQPSLDMQCJIEZ-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001106340186 1111432874 /nfs/dbraw/zinc/43/28/74/1111432874.db2.gz OGMLNQPRFBAOGF-NVXWUHKLSA-N 1 3 337.552 2.837 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106340060 1111433063 /nfs/dbraw/zinc/43/30/63/1111433063.db2.gz JYYYDJSYGMBELE-NVXWUHKLSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CCC(C)(C)C)[C@H](C)C1 ZINC001106340256 1111433156 /nfs/dbraw/zinc/43/31/56/1111433156.db2.gz QFUNGGFLOLRZLG-HZPDHXFCSA-N 1 3 325.541 2.837 20 0 EFADHO COc1cccc([C@@H](C)[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127326812 1111447102 /nfs/dbraw/zinc/44/71/02/1111447102.db2.gz BPKCWAWWRNRVNO-MRXNPFEDSA-N 1 3 347.503 2.727 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127338969 1111524727 /nfs/dbraw/zinc/52/47/27/1111524727.db2.gz NCSHUHFDAZFTDU-INIZCTEOSA-N 1 3 335.517 2.609 20 0 EFADHO O=C(NCCNCc1ccsc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127338969 1111524729 /nfs/dbraw/zinc/52/47/29/1111524729.db2.gz NCSHUHFDAZFTDU-INIZCTEOSA-N 1 3 335.517 2.609 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1)N(C)C ZINC001272608703 1111553408 /nfs/dbraw/zinc/55/34/08/1111553408.db2.gz UZDHGOJAHYPOHU-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1)N(C)C ZINC001272608703 1111553409 /nfs/dbraw/zinc/55/34/09/1111553409.db2.gz UZDHGOJAHYPOHU-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@]12CC[C@@]([NH2+]Cc3ccc[nH]3)(C1)CCC2)N(C)C ZINC001272608573 1111553582 /nfs/dbraw/zinc/55/35/82/1111553582.db2.gz SZYXBWMBVYARSE-RLLQIKCJSA-N 1 3 346.519 2.652 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106668847 1111711904 /nfs/dbraw/zinc/71/19/04/1111711904.db2.gz QMLVCPPEETZSSB-XXCOWLKOSA-N 1 3 335.536 2.759 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672522 1111713681 /nfs/dbraw/zinc/71/36/81/1111713681.db2.gz AUWDBJWXOFOYHF-GVDBMIGSSA-N 1 3 325.541 2.695 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001272615669 1111746715 /nfs/dbraw/zinc/74/67/15/1111746715.db2.gz GCLMXKXOWBAFLJ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106729090 1111770128 /nfs/dbraw/zinc/77/01/28/1111770128.db2.gz HTRDAQFYSYUGPI-NZCOHXHHSA-N 1 3 341.927 2.686 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106775398 1111820166 /nfs/dbraw/zinc/82/01/66/1111820166.db2.gz BYKAXRDCSUVSHH-MGSINWNPSA-N 1 3 343.943 2.935 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@@H](C)F)[C@H](C)C1 ZINC001106775630 1111822010 /nfs/dbraw/zinc/82/20/10/1111822010.db2.gz URVHWABYJUNQRX-KZNAEPCWSA-N 1 3 343.531 2.931 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1 ZINC001106779622 1111823527 /nfs/dbraw/zinc/82/35/27/1111823527.db2.gz TWTYMBAIYAXSJN-UYAOXDASSA-N 1 3 345.531 2.563 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2F)[C@H](C)C1 ZINC001106778824 1111825257 /nfs/dbraw/zinc/82/52/57/1111825257.db2.gz STBWJUAMDJHYOY-BRWVUGGUSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC001106785026 1111831448 /nfs/dbraw/zinc/83/14/48/1111831448.db2.gz SUFBXBNFAZGFJZ-ZHALLVOQSA-N 1 3 331.504 2.774 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798579 1111850184 /nfs/dbraw/zinc/85/01/84/1111850184.db2.gz LNTZMTBPUCJCBR-CQQBRXBZSA-N 1 3 335.536 2.759 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(CCCN2Cc2coc3ccccc23)C1=O ZINC001272667852 1112175951 /nfs/dbraw/zinc/17/59/51/1112175951.db2.gz XMNNILHHMAAHFW-FQEVSTJZSA-N 1 3 341.455 2.561 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001483767718 1112221078 /nfs/dbraw/zinc/22/10/78/1112221078.db2.gz PPVMYLSBVTVULO-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@H+](C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089491552 1112226382 /nfs/dbraw/zinc/22/63/82/1112226382.db2.gz PHYZIEMIMILZKN-YFWHOBGESA-N 1 3 341.927 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)CC(C)(C)C2)C1 ZINC001089491552 1112226387 /nfs/dbraw/zinc/22/63/87/1112226387.db2.gz PHYZIEMIMILZKN-YFWHOBGESA-N 1 3 341.927 2.688 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491848 1112228227 /nfs/dbraw/zinc/22/82/27/1112228227.db2.gz WOCSCUXLYGSQEA-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC(C)(C)C2)C1 ZINC001089491848 1112228230 /nfs/dbraw/zinc/22/82/30/1112228230.db2.gz WOCSCUXLYGSQEA-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509383 1112251413 /nfs/dbraw/zinc/25/14/13/1112251413.db2.gz BMMHFOLNRWLBBG-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089509383 1112251416 /nfs/dbraw/zinc/25/14/16/1112251416.db2.gz BMMHFOLNRWLBBG-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001483774335 1112367069 /nfs/dbraw/zinc/36/70/69/1112367069.db2.gz SMGJTFCDHNMYOR-GOSISDBHSA-N 1 3 329.488 2.688 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031715421 1112416688 /nfs/dbraw/zinc/41/66/88/1112416688.db2.gz UPBCDYABQVKJFW-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031715421 1112416692 /nfs/dbraw/zinc/41/66/92/1112416692.db2.gz UPBCDYABQVKJFW-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089639264 1112428685 /nfs/dbraw/zinc/42/86/85/1112428685.db2.gz RWGYKJBRHYGNFB-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089639264 1112428688 /nfs/dbraw/zinc/42/86/88/1112428688.db2.gz RWGYKJBRHYGNFB-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001483798746 1112461104 /nfs/dbraw/zinc/46/11/04/1112461104.db2.gz JSCRRJBYFAZHSE-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)CC(C)(C)C ZINC001483798746 1112461105 /nfs/dbraw/zinc/46/11/05/1112461105.db2.gz JSCRRJBYFAZHSE-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C[C@H]1C ZINC001483916418 1112557612 /nfs/dbraw/zinc/55/76/12/1112557612.db2.gz OZSICZTYWJLBCH-SJLPKXTDSA-N 1 3 349.494 2.945 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)CC1 ZINC001483941759 1112582762 /nfs/dbraw/zinc/58/27/62/1112582762.db2.gz CQVSSHAKRMHRHU-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCc3ccccc3)CC2)C1 ZINC001483970941 1112601711 /nfs/dbraw/zinc/60/17/11/1112601711.db2.gz MBTHZLJHWHRKDJ-SFHVURJKSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCc3ccccc3)CC2)C1 ZINC001483970938 1112601988 /nfs/dbraw/zinc/60/19/88/1112601988.db2.gz MBTHZLJHWHRKDJ-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001484986167 1117911673 /nfs/dbraw/zinc/91/16/73/1117911673.db2.gz PYNAKBYENABFII-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001484986167 1117911678 /nfs/dbraw/zinc/91/16/78/1117911678.db2.gz PYNAKBYENABFII-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(F)cc1 ZINC001484977398 1117916775 /nfs/dbraw/zinc/91/67/75/1117916775.db2.gz RFHFVUPFFCZNMZ-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821148 1117920020 /nfs/dbraw/zinc/92/00/20/1117920020.db2.gz QZUFWKZQQMFANY-FFGOWVMKSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN(C)C1CCC1 ZINC001089821148 1117920023 /nfs/dbraw/zinc/92/00/23/1117920023.db2.gz QZUFWKZQQMFANY-FFGOWVMKSA-N 1 3 345.531 2.606 20 0 EFADHO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821769 1117926252 /nfs/dbraw/zinc/92/62/52/1117926252.db2.gz YGVFSURSYXMMKG-MANSERQUSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001089821769 1117926257 /nfs/dbraw/zinc/92/62/57/1117926257.db2.gz YGVFSURSYXMMKG-MANSERQUSA-N 1 3 347.547 2.686 20 0 EFADHO C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001485056099 1117974801 /nfs/dbraw/zinc/97/48/01/1117974801.db2.gz PCJRYHBGEMXHJC-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CCC1CC1)C[C@H]1CCCN1C(=O)C(C)(C)N1CCCCC1 ZINC001485056099 1117974804 /nfs/dbraw/zinc/97/48/04/1117974804.db2.gz PCJRYHBGEMXHJC-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC(C)(C)C[NH2+]Cc2cccc(F)c2)C1 ZINC001485260213 1118179235 /nfs/dbraw/zinc/17/92/35/1118179235.db2.gz IJQBNSDFSRMOPH-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCc1ccccc1 ZINC001485350147 1118272562 /nfs/dbraw/zinc/27/25/62/1118272562.db2.gz LCNAGLYFDWPCNK-KRWDZBQOSA-N 1 3 333.520 2.644 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCc1ccccc1 ZINC001485350147 1118272564 /nfs/dbraw/zinc/27/25/64/1118272564.db2.gz LCNAGLYFDWPCNK-KRWDZBQOSA-N 1 3 333.520 2.644 20 0 EFADHO Cc1ncccc1CN1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001485482507 1118410127 /nfs/dbraw/zinc/41/01/27/1118410127.db2.gz PBMZOIIBEFSJTA-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C2)c1 ZINC001485528867 1118429477 /nfs/dbraw/zinc/42/94/77/1118429477.db2.gz MTFUPHSEXDWICY-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)CC[N@H+](C)CC)C2)c1 ZINC001485528867 1118429481 /nfs/dbraw/zinc/42/94/81/1118429481.db2.gz MTFUPHSEXDWICY-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)C2)CC1(C)C ZINC000941186707 1118683556 /nfs/dbraw/zinc/68/35/56/1118683556.db2.gz PJDWZLUWFQNZJD-PUJMQQBBSA-N 1 3 332.492 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)C2)CC1(C)C ZINC000941186707 1118683559 /nfs/dbraw/zinc/68/35/59/1118683559.db2.gz PJDWZLUWFQNZJD-PUJMQQBBSA-N 1 3 332.492 2.523 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)c1 ZINC000941237416 1118695499 /nfs/dbraw/zinc/69/54/99/1118695499.db2.gz NAYOLEBTYOQDLY-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)CC2(C)C)c1 ZINC000941237416 1118695501 /nfs/dbraw/zinc/69/55/01/1118695501.db2.gz NAYOLEBTYOQDLY-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001203455309 1118716742 /nfs/dbraw/zinc/71/67/42/1118716742.db2.gz FUHGNTDZYGWUCH-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863154 1118817294 /nfs/dbraw/zinc/81/72/94/1118817294.db2.gz VBWYAGMCIHUDLY-OKYOBFRVSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863154 1118817301 /nfs/dbraw/zinc/81/73/01/1118817301.db2.gz VBWYAGMCIHUDLY-OKYOBFRVSA-N 1 3 347.547 2.543 20 0 EFADHO CN(CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1F)C1CC1)C1CCC1 ZINC001485812757 1118883864 /nfs/dbraw/zinc/88/38/64/1118883864.db2.gz CFNXVFHYSLCFJO-LJQANCHMSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)c1 ZINC001032043255 1119078327 /nfs/dbraw/zinc/07/83/27/1119078327.db2.gz YBBPUYYVLQRBGQ-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)c1 ZINC001032043255 1119078330 /nfs/dbraw/zinc/07/83/30/1119078330.db2.gz YBBPUYYVLQRBGQ-WOJBJXKFSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943289740 1119401644 /nfs/dbraw/zinc/40/16/44/1119401644.db2.gz RQCJFJWAAZZFBO-MAUKXSAKSA-N 1 3 349.544 2.807 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029378 1119818840 /nfs/dbraw/zinc/81/88/40/1119818840.db2.gz REINCSLNWYMTOK-VQIMIIECSA-N 1 3 331.504 2.702 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)c1 ZINC001032129090 1119837574 /nfs/dbraw/zinc/83/75/74/1119837574.db2.gz QGHNISDTFDHJRY-PMACEKPBSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H](F)CC[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034355 1119935577 /nfs/dbraw/zinc/93/55/77/1119935577.db2.gz WVCYHLOOXOIKTB-JFIYKMOQSA-N 1 3 349.494 2.794 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC(C)C)[C@H](C)C1 ZINC001107036153 1120014711 /nfs/dbraw/zinc/01/47/11/1120014711.db2.gz FVCZDVPSTHFRRV-QRVBRYPASA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001107042404 1120068413 /nfs/dbraw/zinc/06/84/13/1120068413.db2.gz LEKYBJSZOSGVTJ-IEBWSBKVSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001107042602 1120068432 /nfs/dbraw/zinc/06/84/32/1120068432.db2.gz UKOQTXBLAJJICT-SOLBZPMBSA-N 1 3 349.494 2.911 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c1 ZINC001107039501 1120078375 /nfs/dbraw/zinc/07/83/75/1120078375.db2.gz UTGYIUPKCZDHKL-IEBWSBKVSA-N 1 3 331.504 2.519 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001032205982 1120199411 /nfs/dbraw/zinc/19/94/11/1120199411.db2.gz OENDLNOWZHALJT-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001032205735 1120199478 /nfs/dbraw/zinc/19/94/78/1120199478.db2.gz GYTIXZGVIRFUNX-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001032206015 1120199872 /nfs/dbraw/zinc/19/98/72/1120199872.db2.gz PDISDCAVYJAFKK-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001032206082 1120200505 /nfs/dbraw/zinc/20/05/05/1120200505.db2.gz RJOPWMABQKTHFS-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001032206145 1120200528 /nfs/dbraw/zinc/20/05/28/1120200528.db2.gz SRFRMJQBUIWEKZ-APWZRJJASA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3CC(C)(C)C3)C2)c1 ZINC001032207372 1120203473 /nfs/dbraw/zinc/20/34/73/1120203473.db2.gz OQBGHEFNYATFLR-UHFFFAOYSA-N 1 3 343.515 2.846 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029429 1120520584 /nfs/dbraw/zinc/52/05/84/1120520584.db2.gz SPEUJLFNCLDNBA-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945029429 1120520590 /nfs/dbraw/zinc/52/05/90/1120520590.db2.gz SPEUJLFNCLDNBA-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945094623 1120570764 /nfs/dbraw/zinc/57/07/64/1120570764.db2.gz WYMWVNRGNSHMQF-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H](C)C1 ZINC000945094623 1120570768 /nfs/dbraw/zinc/57/07/68/1120570768.db2.gz WYMWVNRGNSHMQF-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000165918868 529417955 /nfs/dbraw/zinc/41/79/55/529417955.db2.gz WINNTKLMZWVZBY-ABAIWWIYSA-N 1 3 327.856 2.592 20 0 EFADHO CN(C)[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000339441198 282174894 /nfs/dbraw/zinc/17/48/94/282174894.db2.gz ULQKYKVQVNCALK-SFHVURJKSA-N 1 3 346.519 2.853 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000174963369 231356383 /nfs/dbraw/zinc/35/63/83/231356383.db2.gz AZPRECUVZMLTAZ-UHFFFAOYSA-N 1 3 331.460 2.812 20 0 EFADHO Cc1ncsc1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423158704 282231954 /nfs/dbraw/zinc/23/19/54/282231954.db2.gz XAKFWXOUHCNBAB-MAUKXSAKSA-N 1 3 329.469 2.840 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000416152620 282235514 /nfs/dbraw/zinc/23/55/14/282235514.db2.gz XYRNPBLDCAWDTL-RTBURBONSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1nnc(CC[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC000353564768 282313945 /nfs/dbraw/zinc/31/39/45/282313945.db2.gz IJZUYAQQDLDCHA-RHSMWYFYSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000353564768 282313946 /nfs/dbraw/zinc/31/39/46/282313946.db2.gz IJZUYAQQDLDCHA-RHSMWYFYSA-N 1 3 330.501 2.889 20 0 EFADHO Cc1nnc(CCN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000353564768 282313949 /nfs/dbraw/zinc/31/39/49/282313949.db2.gz IJZUYAQQDLDCHA-RHSMWYFYSA-N 1 3 330.501 2.889 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@H]1CCCOC1)C1CCN(C)CC1 ZINC000177565396 530037119 /nfs/dbraw/zinc/03/71/19/530037119.db2.gz UBVYKTHMXBZTHE-QGZVFWFLSA-N 1 3 331.504 2.733 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@@H]1C ZINC000101645988 219150511 /nfs/dbraw/zinc/15/05/11/219150511.db2.gz RUYFRUIIEPKQHG-BBWFWOEESA-N 1 3 347.503 2.505 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423441514 282389245 /nfs/dbraw/zinc/38/92/45/282389245.db2.gz UNHADVQYHMTIAK-IEBWSBKVSA-N 1 3 343.515 2.903 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000423441514 282389251 /nfs/dbraw/zinc/38/92/51/282389251.db2.gz UNHADVQYHMTIAK-IEBWSBKVSA-N 1 3 343.515 2.903 20 0 EFADHO NC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000178670304 232358742 /nfs/dbraw/zinc/35/87/42/232358742.db2.gz NWXULCWADSWUST-FQEVSTJZSA-N 1 3 337.467 2.641 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000066951145 215097148 /nfs/dbraw/zinc/09/71/48/215097148.db2.gz DHEMIQGQCHOEKI-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C(=O)NC)cc2)CC1 ZINC000066951145 215097150 /nfs/dbraw/zinc/09/71/50/215097150.db2.gz DHEMIQGQCHOEKI-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO COc1ccc(OC)c(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000067452960 215148446 /nfs/dbraw/zinc/14/84/46/215148446.db2.gz VLEYGBICGNIJJC-HZPDHXFCSA-N 1 3 336.476 2.683 20 0 EFADHO C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H](c1ccccc1)N(C)C ZINC000354233382 299166340 /nfs/dbraw/zinc/16/63/40/299166340.db2.gz HQEMOOOZVLMTNF-BQFCYCMXSA-N 1 3 348.535 2.953 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000354136960 299174365 /nfs/dbraw/zinc/17/43/65/299174365.db2.gz KTCYTCKDJZGZCJ-NQYYFHDYSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@@H](CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CC[NH2+]CC1 ZINC000237466042 295829246 /nfs/dbraw/zinc/82/92/46/295829246.db2.gz VUPBUAIBBUAJKK-PXNSSMCTSA-N 1 3 343.515 2.966 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000181524492 234215898 /nfs/dbraw/zinc/21/58/98/234215898.db2.gz FZJHOBNOYAQQMY-QYZOEREBSA-N 1 3 332.488 2.920 20 0 EFADHO COC(=O)CCN(CC[C@@H]1CCC[NH2+]C1)Cc1cccc(F)c1F ZINC000420359051 291021453 /nfs/dbraw/zinc/02/14/53/291021453.db2.gz KCQNMKPVPROBDK-AWEZNQCLSA-N 1 3 340.414 2.720 20 0 EFADHO COC(=O)CCN(Cc1cccc(F)c1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414693755 291022820 /nfs/dbraw/zinc/02/28/20/291022820.db2.gz FHSZTKQQXSLLEY-KBPBESRZSA-N 1 3 340.414 2.718 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)CC2(C[NH3+])CC2)CCN1Cc1ccccc1 ZINC000423398657 291059321 /nfs/dbraw/zinc/05/93/21/291059321.db2.gz UACRZMZOWIZPQV-WMZOPIPTSA-N 1 3 329.488 2.627 20 0 EFADHO CN(C)CCOc1ccccc1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184228829 235341081 /nfs/dbraw/zinc/34/10/81/235341081.db2.gz DHLQUGWZEXZVEC-UHFFFAOYSA-N 1 3 347.503 2.543 20 0 EFADHO CCCN1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000358278047 283335334 /nfs/dbraw/zinc/33/53/34/283335334.db2.gz QUZFPUDVFSFIEI-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000414206291 299283975 /nfs/dbraw/zinc/28/39/75/299283975.db2.gz YDMAICLWPNYIQP-QYZOEREBSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1ccc2cc(C[NH2+]C3CCN(CCN(C)C)CC3)ccc2n1 ZINC000189248059 236805050 /nfs/dbraw/zinc/80/50/50/236805050.db2.gz GXADOVLPGPCGLB-UHFFFAOYSA-N 1 3 326.488 2.659 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000128367088 299292498 /nfs/dbraw/zinc/29/24/98/299292498.db2.gz COFDBSIOYLXYCU-HNNXBMFYSA-N 1 3 341.446 2.966 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000358411725 283551805 /nfs/dbraw/zinc/55/18/05/283551805.db2.gz PZLKTXWQTKFFGL-MSOLQXFVSA-N 1 3 335.492 2.581 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000422955904 296023079 /nfs/dbraw/zinc/02/30/79/296023079.db2.gz KEEPGJCNTNFPTD-OXQOHEQNSA-N 1 3 343.515 2.716 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)C1CC[NH+](C2CC2)CC1 ZINC000193930830 240366175 /nfs/dbraw/zinc/36/61/75/240366175.db2.gz HZRLBYCSFAGXBA-QGZVFWFLSA-N 1 3 347.528 2.876 20 0 EFADHO COc1cc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000131696848 223261207 /nfs/dbraw/zinc/26/12/07/223261207.db2.gz CLYYSQMFUVWZND-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000131772329 223272016 /nfs/dbraw/zinc/27/20/16/223272016.db2.gz IGALJYXDLYSVFV-QWRGUYRKSA-N 1 3 330.259 2.991 20 0 EFADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000166178012 239121504 /nfs/dbraw/zinc/12/15/04/239121504.db2.gz QHCSKMOZQRKJJI-ROUUACIJSA-N 1 3 347.503 2.541 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550768 216394856 /nfs/dbraw/zinc/39/48/56/216394856.db2.gz RYUYRPOPNYEWFN-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000193129808 240085972 /nfs/dbraw/zinc/08/59/72/240085972.db2.gz ISBKNDVGSWFYIJ-CRAIPNDOSA-N 1 3 331.504 2.892 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000193888214 240348250 /nfs/dbraw/zinc/34/82/50/240348250.db2.gz JZXGCKUGNYZYPU-HYVNUMGLSA-N 1 3 334.460 2.619 20 0 EFADHO c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000133031933 223383055 /nfs/dbraw/zinc/38/30/55/223383055.db2.gz SGHGXUZSEKGBFK-APWZRJJASA-N 1 3 330.472 2.991 20 0 EFADHO CC(C)[C@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000236742570 242340672 /nfs/dbraw/zinc/34/06/72/242340672.db2.gz JCAYDDXTRVTZES-FQEVSTJZSA-N 1 3 345.531 2.821 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000236755349 242345542 /nfs/dbraw/zinc/34/55/42/242345542.db2.gz QHZMUKHRUBYCGD-IBGZPJMESA-N 1 3 344.503 2.531 20 0 EFADHO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H](N)c1ccccc1 ZINC000236697268 242323601 /nfs/dbraw/zinc/32/36/01/242323601.db2.gz CRWVIGBTGBGNJD-MJGOQNOKSA-N 1 3 331.504 2.951 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236707663 242326658 /nfs/dbraw/zinc/32/66/58/242326658.db2.gz DRXPVSKRFRWEJC-IBGZPJMESA-N 1 3 331.504 2.908 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000236703882 242327141 /nfs/dbraw/zinc/32/71/41/242327141.db2.gz WBSLQQBTXJKFNR-IBGZPJMESA-N 1 3 331.504 2.908 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)c1ccccc1 ZINC000236833594 242376624 /nfs/dbraw/zinc/37/66/24/242376624.db2.gz OMKKGYNSDYMISO-UXHICEINSA-N 1 3 339.483 2.756 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236843267 242380065 /nfs/dbraw/zinc/38/00/65/242380065.db2.gz ARMQHFUGZACVTB-AEFFLSMTSA-N 1 3 335.467 2.671 20 0 EFADHO C[C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237363317 242606424 /nfs/dbraw/zinc/60/64/24/242606424.db2.gz WOFHWEMPADGKMW-PKOBYXMFSA-N 1 3 335.536 2.737 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+]C(C)(C)CCc2ccccc2)CC1 ZINC000411229287 242756902 /nfs/dbraw/zinc/75/69/02/242756902.db2.gz NNBWFNIIIFCTLG-UHFFFAOYSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3cncs3)CC2)C[C@@H](C)O1 ZINC000411309780 242786711 /nfs/dbraw/zinc/78/67/11/242786711.db2.gz MTCHXJCKTPTQBX-HZPDHXFCSA-N 1 3 337.533 2.897 20 0 EFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@H]1CCCC[C@H]1C ZINC000414206288 296118958 /nfs/dbraw/zinc/11/89/58/296118958.db2.gz YDMAICLWPNYIQP-QRVBRYPASA-N 1 3 337.552 2.587 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412133085 243160264 /nfs/dbraw/zinc/16/02/64/243160264.db2.gz WWLBLKANMNUAFL-KRWDZBQOSA-N 1 3 329.488 2.839 20 0 EFADHO CC(C)CCC[C@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414183552 244035078 /nfs/dbraw/zinc/03/50/78/244035078.db2.gz FBPIQMOMZQIOSS-SFHVURJKSA-N 1 3 325.541 2.587 20 0 EFADHO Cc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cs1 ZINC000414189915 244038885 /nfs/dbraw/zinc/03/88/85/244038885.db2.gz JZJBEBUPWKYCAB-INIZCTEOSA-N 1 3 337.533 2.504 20 0 EFADHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccc(F)cc1 ZINC000414197122 244042442 /nfs/dbraw/zinc/04/24/42/244042442.db2.gz PGCSHCRSIXVDLA-LJQANCHMSA-N 1 3 349.494 2.663 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000414202407 244043940 /nfs/dbraw/zinc/04/39/40/244043940.db2.gz YNVVNVLIVDIOFC-HOTGVXAUSA-N 1 3 334.460 2.621 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000414202407 244043945 /nfs/dbraw/zinc/04/39/45/244043945.db2.gz YNVVNVLIVDIOFC-HOTGVXAUSA-N 1 3 334.460 2.621 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414202409 244044519 /nfs/dbraw/zinc/04/45/19/244044519.db2.gz YNVVNVLIVDIOFC-JKSUJKDBSA-N 1 3 334.460 2.621 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414202409 244044526 /nfs/dbraw/zinc/04/45/26/244044526.db2.gz YNVVNVLIVDIOFC-JKSUJKDBSA-N 1 3 334.460 2.621 20 0 EFADHO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414201597 244045213 /nfs/dbraw/zinc/04/52/13/244045213.db2.gz SRDXMBVGIJYRGP-MSOLQXFVSA-N 1 3 337.552 2.587 20 0 EFADHO CN(C)c1ncc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1C ZINC000414322992 244086970 /nfs/dbraw/zinc/08/69/70/244086970.db2.gz UCZUHSGEWXFIRG-HNNXBMFYSA-N 1 3 347.532 2.549 20 0 EFADHO CN(C)c1ncc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1C ZINC000414322992 244086973 /nfs/dbraw/zinc/08/69/73/244086973.db2.gz UCZUHSGEWXFIRG-HNNXBMFYSA-N 1 3 347.532 2.549 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)n1C ZINC000414322992 244086978 /nfs/dbraw/zinc/08/69/78/244086978.db2.gz UCZUHSGEWXFIRG-HNNXBMFYSA-N 1 3 347.532 2.549 20 0 EFADHO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331780 244090109 /nfs/dbraw/zinc/09/01/09/244090109.db2.gz UIEUEFVPPOYDPT-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000414697832 244296502 /nfs/dbraw/zinc/29/65/02/244296502.db2.gz CGFNIRGLQCFRNV-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CCCc2ccccc2)C1 ZINC000414697832 244296507 /nfs/dbraw/zinc/29/65/07/244296507.db2.gz CGFNIRGLQCFRNV-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO COc1cccc([C@H](C)N2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414701235 244297210 /nfs/dbraw/zinc/29/72/10/244297210.db2.gz ULKABUSMJLSOIO-OKZBNKHCSA-N 1 3 331.504 2.762 20 0 EFADHO C[C@@H]1C[C@@H](CN(C)Cc2cc3c(cc2OC(F)F)OCO3)CC[NH2+]1 ZINC000414698168 244297267 /nfs/dbraw/zinc/29/72/67/244297267.db2.gz IQOQZSWJUDFKQV-NEPJUHHUSA-N 1 3 342.386 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677107 244289739 /nfs/dbraw/zinc/28/97/39/244289739.db2.gz OJECTDVIWVCMHG-SFHVURJKSA-N 1 3 339.483 2.859 20 0 EFADHO CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414677107 244289745 /nfs/dbraw/zinc/28/97/45/244289745.db2.gz OJECTDVIWVCMHG-SFHVURJKSA-N 1 3 339.483 2.859 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718528 244305742 /nfs/dbraw/zinc/30/57/42/244305742.db2.gz ZFLVCPYBDKDREK-MJGOQNOKSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718528 244305746 /nfs/dbraw/zinc/30/57/46/244305746.db2.gz ZFLVCPYBDKDREK-MJGOQNOKSA-N 1 3 329.488 2.638 20 0 EFADHO Fc1ccc(Cn2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000414767759 244337763 /nfs/dbraw/zinc/33/77/63/244337763.db2.gz KJZGGYIROKDCGC-HDICACEKSA-N 1 3 328.435 2.502 20 0 EFADHO COc1cc2c(c(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)O[C@H](C)C2 ZINC000414772855 244338107 /nfs/dbraw/zinc/33/81/07/244338107.db2.gz CQIWSNYEXVKTCA-OAGGEKHMSA-N 1 3 330.472 2.840 20 0 EFADHO C[C@@H]1C[C@H](CN(CCO)Cc2ccc(Br)s2)CC[NH2+]1 ZINC000414739295 244319408 /nfs/dbraw/zinc/31/94/08/244319408.db2.gz CDDAOWWCFPGMSL-VXGBXAGGSA-N 1 3 347.322 2.693 20 0 EFADHO Cc1ccc2cc(CN3C[C@H](C[NH3+])C4(C3)CCOCC4)ccc2n1 ZINC000414772530 244339140 /nfs/dbraw/zinc/33/91/40/244339140.db2.gz CAFWCPVVOUFJPK-SFHVURJKSA-N 1 3 325.456 2.731 20 0 EFADHO Fc1cccc(F)c1-c1n[nH]cc1CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414766626 244333902 /nfs/dbraw/zinc/33/39/02/244333902.db2.gz IAINTRUJXAEBFY-BETUJISGSA-N 1 3 332.398 2.786 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)N[C@H](C[NH3+])C1CC1 ZINC000414807044 244361732 /nfs/dbraw/zinc/36/17/32/244361732.db2.gz QQVLGVMWJLILFP-IINYFYTJSA-N 1 3 345.365 2.629 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414848062 244369226 /nfs/dbraw/zinc/36/92/26/244369226.db2.gz WRCFERMIEJXUES-NEPJUHHUSA-N 1 3 342.281 2.611 20 0 EFADHO COC(=O)c1ccc(Cl)c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414777851 244343443 /nfs/dbraw/zinc/34/34/43/244343443.db2.gz INMONYSZPLKGOR-HUUCEWRRSA-N 1 3 336.863 2.948 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000414783938 244348037 /nfs/dbraw/zinc/34/80/37/244348037.db2.gz HWJDPWVEKXYRQF-HNNXBMFYSA-N 1 3 328.378 2.893 20 0 EFADHO Oc1ccc(Br)c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414783227 244349092 /nfs/dbraw/zinc/34/90/92/244349092.db2.gz PQUJKLFTPCRGQD-QWHCGFSZSA-N 1 3 339.277 2.976 20 0 EFADHO Cc1cc(CN2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc2cccnc12 ZINC000414786663 244349991 /nfs/dbraw/zinc/34/99/91/244349991.db2.gz URTSRACIIIRNME-GOSISDBHSA-N 1 3 325.456 2.731 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000414787525 244350490 /nfs/dbraw/zinc/35/04/90/244350490.db2.gz MBQDWEFBCKNIIQ-MJGOQNOKSA-N 1 3 344.434 2.544 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC([NH2+]C2CCNCC2)CC1 ZINC000414785583 244351655 /nfs/dbraw/zinc/35/16/55/244351655.db2.gz VQWQUWVXKYDPFS-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO Fc1cccc(Cl)c1CN1CCC(NC2CC[NH2+]CC2)CC1 ZINC000414785583 244351663 /nfs/dbraw/zinc/35/16/63/244351663.db2.gz VQWQUWVXKYDPFS-UHFFFAOYSA-N 1 3 325.859 2.785 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N(C)C1CC[NH2+]CC1)c1ccccc1 ZINC000417704796 245088092 /nfs/dbraw/zinc/08/80/92/245088092.db2.gz MVQBRSCDKPIPEM-HNNXBMFYSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(=O)N[C@H](CN)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]C1 ZINC000418335536 245125783 /nfs/dbraw/zinc/12/57/83/245125783.db2.gz HKTKNFCYFZELGR-ZOCIIQOWSA-N 1 3 340.471 2.527 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418426452 245153040 /nfs/dbraw/zinc/15/30/40/245153040.db2.gz MECXFWHCRSGHNW-MOPGFXCFSA-N 1 3 346.519 2.666 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418366408 245136567 /nfs/dbraw/zinc/13/65/67/245136567.db2.gz PSIOUNHRLYKIEK-IBGZPJMESA-N 1 3 346.519 2.667 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000418365422 245136910 /nfs/dbraw/zinc/13/69/10/245136910.db2.gz XKHBXTNEHSMICZ-IBGZPJMESA-N 1 3 346.519 2.937 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418370613 245138992 /nfs/dbraw/zinc/13/89/92/245138992.db2.gz OWGNTCMJSLHZON-KRWDZBQOSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418402496 245146821 /nfs/dbraw/zinc/14/68/21/245146821.db2.gz HNGMKFHWZUOFMX-RTBURBONSA-N 1 3 346.519 2.797 20 0 EFADHO NC[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000418418913 245150403 /nfs/dbraw/zinc/15/04/03/245150403.db2.gz WXTAYJQHAXTGAT-QYZOEREBSA-N 1 3 340.471 2.656 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC1 ZINC000418502334 245176849 /nfs/dbraw/zinc/17/68/49/245176849.db2.gz VAEKCKILLBIRCL-IFXJQAMLSA-N 1 3 340.471 2.608 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418501412 245178045 /nfs/dbraw/zinc/17/80/45/245178045.db2.gz QUBBKAXSUHLBPX-OALUTQOASA-N 1 3 340.471 2.575 20 0 EFADHO NC[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc2ccccc2c1 ZINC000418499726 245178169 /nfs/dbraw/zinc/17/81/69/245178169.db2.gz MUAHDORAHQEXLS-RTBURBONSA-N 1 3 340.471 2.656 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418436662 245157441 /nfs/dbraw/zinc/15/74/41/245157441.db2.gz CCSMTCUATLXULE-MJGOQNOKSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000418452076 245162121 /nfs/dbraw/zinc/16/21/21/245162121.db2.gz WWBJDUZVBOLXNQ-HKUYNNGSSA-N 1 3 346.519 2.667 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N2CCN(C(C)(C)CC(C)(C)C)CC2)CC[NH2+]1 ZINC000418591974 245205145 /nfs/dbraw/zinc/20/51/45/245205145.db2.gz CTOLOBOLZTXUNF-CVEARBPZSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000418675185 245240749 /nfs/dbraw/zinc/24/07/49/245240749.db2.gz QKANRORGPXGGPU-MRXNPFEDSA-N 1 3 334.508 2.714 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1NCCc2ccccc21 ZINC000418633635 245220118 /nfs/dbraw/zinc/22/01/18/245220118.db2.gz IJRWKPNAXWOTIG-LJQANCHMSA-N 1 3 346.519 2.637 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418651113 245227043 /nfs/dbraw/zinc/22/70/43/245227043.db2.gz XYSWVFDCSNRKHF-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000418655913 245230924 /nfs/dbraw/zinc/23/09/24/245230924.db2.gz RNWLOSSDJSGFEG-VDZJLULYSA-N 1 3 346.519 2.763 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000418655913 245230930 /nfs/dbraw/zinc/23/09/30/245230930.db2.gz RNWLOSSDJSGFEG-VDZJLULYSA-N 1 3 346.519 2.763 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418658225 245233326 /nfs/dbraw/zinc/23/33/26/245233326.db2.gz JNXOBDKECNAEQH-QYZOEREBSA-N 1 3 344.503 2.735 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000418661082 245234505 /nfs/dbraw/zinc/23/45/05/245234505.db2.gz ZVVCSXNMLUAGCC-ATZDWAIDSA-N 1 3 344.503 2.517 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418667242 245236164 /nfs/dbraw/zinc/23/61/64/245236164.db2.gz HCNGZMMRYZKGDD-IBGZPJMESA-N 1 3 346.519 2.984 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418664539 245237308 /nfs/dbraw/zinc/23/73/08/245237308.db2.gz CZDURBGXSXHGPE-QFBILLFUSA-N 1 3 346.519 2.838 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N1CC[C@@H](N2CCCCC2)C1)c1ccccc1 ZINC000418673137 245238932 /nfs/dbraw/zinc/23/89/32/245238932.db2.gz NFGVUVAAZKHCQQ-MOPGFXCFSA-N 1 3 344.503 2.736 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418705139 245252707 /nfs/dbraw/zinc/25/27/07/245252707.db2.gz ABBOTIXGOBQMQZ-ROUUACIJSA-N 1 3 338.540 2.802 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000418717741 245258481 /nfs/dbraw/zinc/25/84/81/245258481.db2.gz ZUAOKPMVNXJXHN-MRXNPFEDSA-N 1 3 326.529 2.657 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000418726000 245261474 /nfs/dbraw/zinc/26/14/74/245261474.db2.gz CQARXCSKSDOWFE-IEBWSBKVSA-N 1 3 346.519 2.586 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418739810 245268224 /nfs/dbraw/zinc/26/82/24/245268224.db2.gz NFBMIWPPYLETHD-ZWKOTPCHSA-N 1 3 338.540 2.657 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000418687140 245246349 /nfs/dbraw/zinc/24/63/49/245246349.db2.gz CYJMJHLDUQTEOI-MSOLQXFVSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418687141 245246602 /nfs/dbraw/zinc/24/66/02/245246602.db2.gz CYJMJHLDUQTEOI-QZTJIDSGSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000419144719 245346604 /nfs/dbraw/zinc/34/66/04/245346604.db2.gz PALAPWUHGNYKGT-DNVCBOLYSA-N 1 3 347.478 2.950 20 0 EFADHO C[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C2CC2)cc1 ZINC000419331678 245380188 /nfs/dbraw/zinc/38/01/88/245380188.db2.gz DAIXNIVKBLJBCW-OAHLLOKOSA-N 1 3 341.499 2.958 20 0 EFADHO CCOc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420312275 245607246 /nfs/dbraw/zinc/60/72/46/245607246.db2.gz WQBQVDUQWXGNHT-GOSISDBHSA-N 1 3 331.504 2.593 20 0 EFADHO C[N@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000264226022 246210002 /nfs/dbraw/zinc/21/00/02/246210002.db2.gz WWFCJQAHQXINDT-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[N@@H+](CCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCC1 ZINC000264226022 246210005 /nfs/dbraw/zinc/21/00/05/246210005.db2.gz WWFCJQAHQXINDT-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)CC[NH3+])CC1 ZINC000422597243 246398975 /nfs/dbraw/zinc/39/89/75/246398975.db2.gz JQHIXZDPEDKSMG-HNNXBMFYSA-N 1 3 332.492 2.639 20 0 EFADHO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(CN)nc1C ZINC000422795848 246461501 /nfs/dbraw/zinc/46/15/01/246461501.db2.gz WUGHWVWYRBNBGT-UONOGXRCSA-N 1 3 329.444 2.975 20 0 EFADHO CC[C@H](NCCCN1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000423177628 246591229 /nfs/dbraw/zinc/59/12/29/246591229.db2.gz JFKXRBONVTXSGJ-INIZCTEOSA-N 1 3 325.884 2.685 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000423328284 246622243 /nfs/dbraw/zinc/62/22/43/246622243.db2.gz NXYLMIJKWGJSLG-OAHLLOKOSA-N 1 3 347.528 2.798 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424459835 246768920 /nfs/dbraw/zinc/76/89/20/246768920.db2.gz HOURGRWTQAFHFQ-ATZDWAIDSA-N 1 3 344.503 2.781 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(CC[NH2+]C)CC1 ZINC000262001085 284518540 /nfs/dbraw/zinc/51/85/40/284518540.db2.gz PTNCPQKNUPCNJO-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](C)CN(C)C ZINC000425932514 247215067 /nfs/dbraw/zinc/21/50/67/247215067.db2.gz QLXAFHYWRYIZBN-JKSUJKDBSA-N 1 3 345.487 2.629 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000427271569 247332935 /nfs/dbraw/zinc/33/29/35/247332935.db2.gz AEXOYPJZNNMZIF-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000427271570 247333147 /nfs/dbraw/zinc/33/31/47/247333147.db2.gz AEXOYPJZNNMZIF-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427333482 247339454 /nfs/dbraw/zinc/33/94/54/247339454.db2.gz ZTAXWDXEUBSQDZ-HBFSDRIKSA-N 1 3 343.515 2.793 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000427333103 247339803 /nfs/dbraw/zinc/33/98/03/247339803.db2.gz XFHFGIRYEBOVAK-IRXDYDNUSA-N 1 3 349.544 2.856 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427370302 247343134 /nfs/dbraw/zinc/34/31/34/247343134.db2.gz QIVPTFVPFUDPPP-IEBWSBKVSA-N 1 3 331.504 2.966 20 0 EFADHO O=C([C@H]1CCCN1C1CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000426987707 247305383 /nfs/dbraw/zinc/30/53/83/247305383.db2.gz VGWRTHIFISCUKS-LJQANCHMSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000431649117 247926670 /nfs/dbraw/zinc/92/66/70/247926670.db2.gz NJUKDKQBVYUZNO-FUHWJXTLSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2CN(C)C)C1 ZINC000433313644 248043956 /nfs/dbraw/zinc/04/39/56/248043956.db2.gz WIAVLRBEWCSMIT-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CN(C)C)C1 ZINC000433313644 248043960 /nfs/dbraw/zinc/04/39/60/248043960.db2.gz WIAVLRBEWCSMIT-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000433321672 248045471 /nfs/dbraw/zinc/04/54/71/248045471.db2.gz WCFVAIZDGQOQPP-UHFFFAOYSA-N 1 3 341.455 2.941 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000434331538 248142581 /nfs/dbraw/zinc/14/25/81/248142581.db2.gz BSEGIUHEPSCYRN-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCN(C)CCCOC)cc1 ZINC000266178628 248151605 /nfs/dbraw/zinc/15/16/05/248151605.db2.gz XHYBAPBGEFXJRW-UHFFFAOYSA-N 1 3 349.519 2.617 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCN(C)CCCOC)cc1 ZINC000266178628 248151607 /nfs/dbraw/zinc/15/16/07/248151607.db2.gz XHYBAPBGEFXJRW-UHFFFAOYSA-N 1 3 349.519 2.617 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CCCCN1C1CC1)C(C)C ZINC000433942926 248105968 /nfs/dbraw/zinc/10/59/68/248105968.db2.gz RWSSTAQRQCPRDB-GOSISDBHSA-N 1 3 338.540 2.764 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435126354 248213134 /nfs/dbraw/zinc/21/31/34/248213134.db2.gz LZIZVCCEIRYQRN-UHFFFAOYSA-N 1 3 346.475 2.993 20 0 EFADHO CCN(Cc1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435390472 248236326 /nfs/dbraw/zinc/23/63/26/248236326.db2.gz BDVKVQXRJHOPFQ-GOSISDBHSA-N 1 3 342.487 2.963 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cccc(Br)c1 ZINC000266781898 248447614 /nfs/dbraw/zinc/44/76/14/248447614.db2.gz NERXLDOFKAAYFT-GFCCVEGCSA-N 1 3 327.266 2.556 20 0 EFADHO COCCCCCN1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266922773 248508066 /nfs/dbraw/zinc/50/80/66/248508066.db2.gz MMEJHICHNMAZOH-UHFFFAOYSA-N 1 3 349.519 2.566 20 0 EFADHO CC[N@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCNCC1 ZINC000435614943 249387735 /nfs/dbraw/zinc/38/77/35/249387735.db2.gz NZPVBWWDNCKRNB-MRXNPFEDSA-N 1 3 343.471 2.527 20 0 EFADHO CC[N@@H+](CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCNCC1 ZINC000435614943 249387740 /nfs/dbraw/zinc/38/77/40/249387740.db2.gz NZPVBWWDNCKRNB-MRXNPFEDSA-N 1 3 343.471 2.527 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCC1(N(C)C)CCC1 ZINC000446617363 284680610 /nfs/dbraw/zinc/68/06/10/284680610.db2.gz LJOMUTZMZZMXBI-IRXDYDNUSA-N 1 3 338.540 2.671 20 0 EFADHO CCCCNC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821212 218171251 /nfs/dbraw/zinc/17/12/51/218171251.db2.gz XBYMCWOSJINECC-UHFFFAOYSA-N 1 3 332.492 2.536 20 0 EFADHO CSc1ccccc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000442799730 250121668 /nfs/dbraw/zinc/12/16/68/250121668.db2.gz ZRDWHXMMIMLZGN-GJZGRUSLSA-N 1 3 335.517 2.647 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC(F)F)c1 ZINC000442870972 250134962 /nfs/dbraw/zinc/13/49/62/250134962.db2.gz APBHZAUUVWQIII-AWEZNQCLSA-N 1 3 341.446 2.965 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC000442893263 250137351 /nfs/dbraw/zinc/13/73/51/250137351.db2.gz XIYFLLGQAZHPHS-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443233151 250173977 /nfs/dbraw/zinc/17/39/77/250173977.db2.gz ZWVAGNGDLVRADN-WMZOPIPTSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443060727 250155053 /nfs/dbraw/zinc/15/50/53/250155053.db2.gz PSUBMOYKBKNMIM-ZIAGYGMSSA-N 1 3 339.430 2.545 20 0 EFADHO Cc1ccc([C@@H](NC(=O)CN2CCC[C@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443059344 250155267 /nfs/dbraw/zinc/15/52/67/250155267.db2.gz MNHDHTQPOJCOQG-OXQOHEQNSA-N 1 3 329.488 2.623 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000443070232 250156867 /nfs/dbraw/zinc/15/68/67/250156867.db2.gz KYCCSTDSVONKJC-YJBOKZPZSA-N 1 3 333.451 2.690 20 0 EFADHO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443077112 250159594 /nfs/dbraw/zinc/15/95/94/250159594.db2.gz UBWPRMNZEFSMPT-IEBWSBKVSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC[C@H](CC[NH3+])C1 ZINC000443078631 250159699 /nfs/dbraw/zinc/15/96/99/250159699.db2.gz XELNXDVZKSJCJJ-OAGGEKHMSA-N 1 3 335.517 2.861 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000443646816 250217355 /nfs/dbraw/zinc/21/73/55/250217355.db2.gz DMUPUGDLOUQTLN-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C(=O)Nc1cccc(CN2CCC(O)CC2)c1)[NH+](CC)CC ZINC000444461433 250303243 /nfs/dbraw/zinc/30/32/43/250303243.db2.gz SIASFWICMQUQTA-IBGZPJMESA-N 1 3 347.503 2.702 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000444630083 250319737 /nfs/dbraw/zinc/31/97/37/250319737.db2.gz MYKILTAGOASYAI-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC1(C)CCCN(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000444630083 250319742 /nfs/dbraw/zinc/31/97/42/250319742.db2.gz MYKILTAGOASYAI-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](CNC(=O)NCCN1CCCC(C)(C)C1)C[NH+]1CCCCC1 ZINC000445261282 250399517 /nfs/dbraw/zinc/39/95/17/250399517.db2.gz GRASKIJPSUPCGN-KRWDZBQOSA-N 1 3 338.540 2.530 20 0 EFADHO C[C@H](Cc1coc2ccccc12)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449079544 250906299 /nfs/dbraw/zinc/90/62/99/250906299.db2.gz ZEBHOJMAOHCMNT-MRXNPFEDSA-N 1 3 329.488 2.979 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237682822 296312642 /nfs/dbraw/zinc/31/26/42/296312642.db2.gz GIWBNHFJSGETNE-HBFSDRIKSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000237682822 296312646 /nfs/dbraw/zinc/31/26/46/296312646.db2.gz GIWBNHFJSGETNE-HBFSDRIKSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416978372 296313876 /nfs/dbraw/zinc/31/38/76/296313876.db2.gz QSAYMGNSPKXHBP-QGZVFWFLSA-N 1 3 344.503 2.566 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCCNCC1 ZINC000416978372 296313877 /nfs/dbraw/zinc/31/38/77/296313877.db2.gz QSAYMGNSPKXHBP-QGZVFWFLSA-N 1 3 344.503 2.566 20 0 EFADHO NC[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000449498190 251045448 /nfs/dbraw/zinc/04/54/48/251045448.db2.gz SALYGWMSRFUMCM-QRQLOZEOSA-N 1 3 325.456 2.863 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+][C@@H](CC)[C@@H](O)CC)CC1 ZINC000449638380 251087872 /nfs/dbraw/zinc/08/78/72/251087872.db2.gz KKRYKXOGELSREO-ICSRJNTNSA-N 1 3 333.520 2.858 20 0 EFADHO CCc1cc(NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)cc[nH+]1 ZINC000450219735 251302852 /nfs/dbraw/zinc/30/28/52/251302852.db2.gz YOJWUBRCJCDLNB-QGZVFWFLSA-N 1 3 329.444 2.798 20 0 EFADHO CC(C)Oc1ccc2nccc(NCC3CC[NH+](CCO)CC3)c2c1 ZINC000450316740 251341259 /nfs/dbraw/zinc/34/12/59/251341259.db2.gz ZWVNKJZYKVAMBQ-UHFFFAOYSA-N 1 3 343.471 2.560 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000153051344 224051716 /nfs/dbraw/zinc/05/17/16/224051716.db2.gz FOVVZCOYKNDUSL-QEJZJMRPSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000153051344 224051718 /nfs/dbraw/zinc/05/17/18/224051718.db2.gz FOVVZCOYKNDUSL-QEJZJMRPSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000153051028 224051742 /nfs/dbraw/zinc/05/17/42/224051742.db2.gz FOVVZCOYKNDUSL-YUELXQCFSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000153051028 224051745 /nfs/dbraw/zinc/05/17/45/224051745.db2.gz FOVVZCOYKNDUSL-YUELXQCFSA-N 1 3 346.393 2.517 20 0 EFADHO C[NH+](C)CCC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268540957 252007372 /nfs/dbraw/zinc/00/73/72/252007372.db2.gz LACYDKZZKALERB-KRWDZBQOSA-N 1 3 345.487 2.571 20 0 EFADHO COCCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1OC ZINC000268710912 252160530 /nfs/dbraw/zinc/16/05/30/252160530.db2.gz DSMRTLJRQVTEMD-INIZCTEOSA-N 1 3 336.476 2.857 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000454218970 252176866 /nfs/dbraw/zinc/17/68/66/252176866.db2.gz ROOBFQVIITWWAO-UHFFFAOYSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)N(C)C ZINC000454321319 252215386 /nfs/dbraw/zinc/21/53/86/252215386.db2.gz SPUUVDFLCKRTEO-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N(C)C ZINC000454321319 252215392 /nfs/dbraw/zinc/21/53/92/252215392.db2.gz SPUUVDFLCKRTEO-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](NCc1ccc(N(C)C)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000268788616 252239351 /nfs/dbraw/zinc/23/93/51/252239351.db2.gz WWSFJLAGEPDYAM-MRXNPFEDSA-N 1 3 342.487 2.939 20 0 EFADHO c1ccc(CCN2CCC([NH2+][C@H]3CCN4CCCC[C@H]34)CC2)cc1 ZINC000268777973 252228307 /nfs/dbraw/zinc/22/83/07/252228307.db2.gz OMQRDXJOMIBXNQ-LEWJYISDSA-N 1 3 327.516 2.910 20 0 EFADHO CO[C@H](C)[C@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268780845 252230985 /nfs/dbraw/zinc/23/09/85/252230985.db2.gz DDIMJBXNYLBUOO-RBUKOAKNSA-N 1 3 333.520 2.597 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)CN1CCCC1 ZINC000268805421 252259075 /nfs/dbraw/zinc/25/90/75/252259075.db2.gz CJDKCWHCEDPENO-XJKSGUPXSA-N 1 3 344.377 2.619 20 0 EFADHO C[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1 ZINC000268801009 252252983 /nfs/dbraw/zinc/25/29/83/252252983.db2.gz AZNHBTKMSGGRIS-CYBMUJFWSA-N 1 3 328.403 2.785 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268818359 252269337 /nfs/dbraw/zinc/26/93/37/252269337.db2.gz QVHHREGPVIBAAG-YQVWRLOYSA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268818359 252269339 /nfs/dbraw/zinc/26/93/39/252269339.db2.gz QVHHREGPVIBAAG-YQVWRLOYSA-N 1 3 331.504 2.934 20 0 EFADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC[C@@H](C)C1 ZINC000454517553 252291305 /nfs/dbraw/zinc/29/13/05/252291305.db2.gz UXCAJPPNADETFI-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](CNC(=O)NCCCCC[NH+]1CCCC1)N1CCC[C@H](C)C1 ZINC000454517558 252291862 /nfs/dbraw/zinc/29/18/62/252291862.db2.gz UXCAJPPNADETFI-ZWKOTPCHSA-N 1 3 338.540 2.672 20 0 EFADHO COCCC[C@@H](C)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268853488 252301600 /nfs/dbraw/zinc/30/16/00/252301600.db2.gz LAWQHAXTMLIQTO-HXUWFJFHSA-N 1 3 347.547 2.989 20 0 EFADHO COCCOCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000353403435 285097642 /nfs/dbraw/zinc/09/76/42/285097642.db2.gz KSNXVEVGJXFENW-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000353403435 285097647 /nfs/dbraw/zinc/09/76/47/285097647.db2.gz KSNXVEVGJXFENW-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO COCCOCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000353403435 285097651 /nfs/dbraw/zinc/09/76/51/285097651.db2.gz KSNXVEVGJXFENW-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000153587001 224126658 /nfs/dbraw/zinc/12/66/58/224126658.db2.gz OYWWCPDUKKKABD-QEJZJMRPSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@H]1C[C@@H](NC[C@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000153587001 224126661 /nfs/dbraw/zinc/12/66/61/224126661.db2.gz OYWWCPDUKKKABD-QEJZJMRPSA-N 1 3 346.393 2.517 20 0 EFADHO COCC[C@@]1(NCc2cccc(C[NH+]3CCCCC3)c2)CCOC1 ZINC000411647944 285156942 /nfs/dbraw/zinc/15/69/42/285156942.db2.gz ZGJTWXZHPMQWBK-HXUWFJFHSA-N 1 3 332.488 2.958 20 0 EFADHO CCN1CCC(NC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000337420273 285190451 /nfs/dbraw/zinc/19/04/51/285190451.db2.gz UFIHEJVNBOKFRW-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000104150527 285201607 /nfs/dbraw/zinc/20/16/07/285201607.db2.gz MGCGBOUSGKUQSK-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000337802845 285229410 /nfs/dbraw/zinc/22/94/10/285229410.db2.gz IYKFELBXHRSZRO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000337802845 285229411 /nfs/dbraw/zinc/22/94/11/285229411.db2.gz IYKFELBXHRSZRO-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000154273680 224229869 /nfs/dbraw/zinc/22/98/69/224229869.db2.gz ZUESDMGBMQQHAO-UPJWGTAASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000154273680 224229872 /nfs/dbraw/zinc/22/98/72/224229872.db2.gz ZUESDMGBMQQHAO-UPJWGTAASA-N 1 3 347.286 2.805 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000346623789 285249416 /nfs/dbraw/zinc/24/94/16/285249416.db2.gz PGXLXUJHRGTROH-QGZVFWFLSA-N 1 3 337.895 2.828 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000346623789 285249417 /nfs/dbraw/zinc/24/94/17/285249417.db2.gz PGXLXUJHRGTROH-QGZVFWFLSA-N 1 3 337.895 2.828 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151739 285273978 /nfs/dbraw/zinc/27/39/78/285273978.db2.gz YMEHOFCMQNNJSP-DZGCQCFKSA-N 1 3 342.405 2.918 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151739 285273979 /nfs/dbraw/zinc/27/39/79/285273979.db2.gz YMEHOFCMQNNJSP-DZGCQCFKSA-N 1 3 342.405 2.918 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000126602190 285278484 /nfs/dbraw/zinc/27/84/84/285278484.db2.gz GBJHVWBZFQRGMR-KRWDZBQOSA-N 1 3 347.507 2.578 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000126602190 285278488 /nfs/dbraw/zinc/27/84/88/285278488.db2.gz GBJHVWBZFQRGMR-KRWDZBQOSA-N 1 3 347.507 2.578 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H](CN)c1ccccc1)c1ccccc1 ZINC000269249614 255553210 /nfs/dbraw/zinc/55/32/10/255553210.db2.gz GIERSRBQXDIPDD-LPHOPBHVSA-N 1 3 339.483 2.975 20 0 EFADHO COc1ccc([C@@H](CNC(=O)CCCCCC[NH3+])N2CCCC2)cc1 ZINC000269223844 255547966 /nfs/dbraw/zinc/54/79/66/255547966.db2.gz CHSOILMCRQNXHZ-LJQANCHMSA-N 1 3 347.503 2.858 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000118775613 221180430 /nfs/dbraw/zinc/18/04/30/221180430.db2.gz YABMHQHTNHNYIV-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO CN(CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841531 221194792 /nfs/dbraw/zinc/19/47/92/221194792.db2.gz IPMMYSLEUSMCNA-MRXNPFEDSA-N 1 3 328.460 2.943 20 0 EFADHO CN(CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841531 221194794 /nfs/dbraw/zinc/19/47/94/221194794.db2.gz IPMMYSLEUSMCNA-MRXNPFEDSA-N 1 3 328.460 2.943 20 0 EFADHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000119642027 221366543 /nfs/dbraw/zinc/36/65/43/221366543.db2.gz QTCPXCHFTCOAMW-AWEZNQCLSA-N 1 3 329.444 2.921 20 0 EFADHO CC1CCC(N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000119701559 221380115 /nfs/dbraw/zinc/38/01/15/221380115.db2.gz SOPTXECDVJPIOF-KVZIAJEVSA-N 1 3 329.488 2.799 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCO[C@@H]3C)CC2)c1 ZINC000120011737 221460094 /nfs/dbraw/zinc/46/00/94/221460094.db2.gz OMOHOAVRIQGLRN-QUCCMNQESA-N 1 3 331.504 2.664 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000361136925 285339227 /nfs/dbraw/zinc/33/92/27/285339227.db2.gz TXNNSNJXKLLRBR-HXUWFJFHSA-N 1 3 331.504 2.733 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@H](C)C1 ZINC000153810869 285376650 /nfs/dbraw/zinc/37/66/50/285376650.db2.gz BBACCOBFAOLVHL-IAGOWNOFSA-N 1 3 325.566 2.668 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000361753062 285388116 /nfs/dbraw/zinc/38/81/16/285388116.db2.gz GHLFTNLWQLFLFW-XSLAGTTESA-N 1 3 338.540 2.764 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)C[C@@H]1C ZINC000361753062 285388117 /nfs/dbraw/zinc/38/81/17/285388117.db2.gz GHLFTNLWQLFLFW-XSLAGTTESA-N 1 3 338.540 2.764 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CC2 ZINC000132867376 533297044 /nfs/dbraw/zinc/29/70/44/533297044.db2.gz KPCQJUZRTQHNAY-FOIQADDNSA-N 1 3 330.472 2.773 20 0 EFADHO CSCC[C@@H](N)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000168666023 533601888 /nfs/dbraw/zinc/60/18/88/533601888.db2.gz UXUCNNQHTZFVGP-NVXWUHKLSA-N 1 3 349.544 2.847 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000166408889 533647270 /nfs/dbraw/zinc/64/72/70/533647270.db2.gz ZTDKROBADQXZJF-SFHVURJKSA-N 1 3 349.544 2.759 20 0 EFADHO c1ccc2c(c1)CCS[C@@H]2CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422829256 285504356 /nfs/dbraw/zinc/50/43/56/285504356.db2.gz BOFMWBVNOPCQAZ-WJFTUGDTSA-N 1 3 332.513 2.764 20 0 EFADHO C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCCC[C@H]1C ZINC000337328988 141573563 /nfs/dbraw/zinc/57/35/63/141573563.db2.gz FLJAZDUWMBCSFR-IAGOWNOFSA-N 1 3 338.540 2.861 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2C)[C@H](C)C1 ZINC000343455175 142001017 /nfs/dbraw/zinc/00/10/17/142001017.db2.gz CFLHNXGSZVKQGI-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccccc2C)[C@H](C)C1 ZINC000343455175 142001019 /nfs/dbraw/zinc/00/10/19/142001019.db2.gz CFLHNXGSZVKQGI-NRSPTQNISA-N 1 3 348.531 2.625 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(CN(C)C)cc1 ZINC000344565919 142040963 /nfs/dbraw/zinc/04/09/63/142040963.db2.gz ZYEGETOMNYICQM-UHFFFAOYSA-N 1 3 334.508 2.622 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000344618207 142049963 /nfs/dbraw/zinc/04/99/63/142049963.db2.gz MNUTVMUZLBABRY-UHFFFAOYSA-N 1 3 347.503 2.623 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000344687007 142061145 /nfs/dbraw/zinc/06/11/45/142061145.db2.gz ICJAQUFRMOAELH-CALCHBBNSA-N 1 3 329.488 2.771 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000344687009 142061379 /nfs/dbraw/zinc/06/13/79/142061379.db2.gz ICJAQUFRMOAELH-IRXDYDNUSA-N 1 3 329.488 2.771 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000344775018 142076440 /nfs/dbraw/zinc/07/64/40/142076440.db2.gz KPQPJZSQADQVJI-HKUYNNGSSA-N 1 3 346.519 2.805 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2OCCN(CC)[C@@H]2c2ccccc2)CC1 ZINC000344838190 142085743 /nfs/dbraw/zinc/08/57/43/142085743.db2.gz AHHKVZDGIOMSCE-NHCUHLMSSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233003 142172583 /nfs/dbraw/zinc/17/25/83/142172583.db2.gz VNSYHYMQQZFPQL-FRQCXROJSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233003 142172584 /nfs/dbraw/zinc/17/25/84/142172584.db2.gz VNSYHYMQQZFPQL-FRQCXROJSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000346387008 142197372 /nfs/dbraw/zinc/19/73/72/142197372.db2.gz ZDXFDIGYVKYWNU-KBPBESRZSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000346387008 142197373 /nfs/dbraw/zinc/19/73/73/142197373.db2.gz ZDXFDIGYVKYWNU-KBPBESRZSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000346387010 142197603 /nfs/dbraw/zinc/19/76/03/142197603.db2.gz ZDXFDIGYVKYWNU-UONOGXRCSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@H]1C[C@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000346387010 142197605 /nfs/dbraw/zinc/19/76/05/142197605.db2.gz ZDXFDIGYVKYWNU-UONOGXRCSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000346442111 142205219 /nfs/dbraw/zinc/20/52/19/142205219.db2.gz LXJUTWFICPUTHF-QUCCMNQESA-N 1 3 331.504 2.746 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2(N3CCC(OC)CC3)CCCC2)[C@H](C)C1 ZINC000347436017 142216279 /nfs/dbraw/zinc/21/62/79/142216279.db2.gz VTYXFSMZJHQZII-IEBWSBKVSA-N 1 3 337.552 2.730 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000347529112 142231361 /nfs/dbraw/zinc/23/13/61/142231361.db2.gz TXSDDSFLTRFUNL-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000347529112 142231362 /nfs/dbraw/zinc/23/13/62/142231362.db2.gz TXSDDSFLTRFUNL-FUHWJXTLSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc3c(c2)CNC3)c1 ZINC000347655224 142251935 /nfs/dbraw/zinc/25/19/35/142251935.db2.gz PCUPFRXLOIVFLP-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H](C)N1CCC[C@H](C)C1)C(C)C ZINC000347667671 142253986 /nfs/dbraw/zinc/25/39/86/142253986.db2.gz KWTQCGSLIALHNI-ROUUACIJSA-N 1 3 340.556 2.915 20 0 EFADHO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000347684351 142256377 /nfs/dbraw/zinc/25/63/77/142256377.db2.gz FEJBAYSCXUFCKF-LJQANCHMSA-N 1 3 347.462 2.960 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744352 142265350 /nfs/dbraw/zinc/26/53/50/142265350.db2.gz SJXYAVNQJBWGDT-IRXDYDNUSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000347752524 142266859 /nfs/dbraw/zinc/26/68/59/142266859.db2.gz JCCHVQQXSXZMKU-GBESFXJTSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000347752524 142266861 /nfs/dbraw/zinc/26/68/61/142266861.db2.gz JCCHVQQXSXZMKU-GBESFXJTSA-N 1 3 343.515 2.982 20 0 EFADHO COC(=O)c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)cn1C ZINC000347861053 142283175 /nfs/dbraw/zinc/28/31/75/142283175.db2.gz SRINKOWTAFGNEW-UHFFFAOYSA-N 1 3 347.503 2.900 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000347887509 142287416 /nfs/dbraw/zinc/28/74/16/142287416.db2.gz GCZKBQDAWPMCHT-QWFCFKBJSA-N 1 3 343.515 2.982 20 0 EFADHO COc1c(C)cc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000349321428 142320236 /nfs/dbraw/zinc/32/02/36/142320236.db2.gz XSWCZNJCCDCVQH-SFHVURJKSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000349593467 142339524 /nfs/dbraw/zinc/33/95/24/142339524.db2.gz ZWZMZYNVTWKZMU-VQIMIIECSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000349979085 142385654 /nfs/dbraw/zinc/38/56/54/142385654.db2.gz VRSJQZPWKRKOGC-UYAOXDASSA-N 1 3 337.552 2.541 20 0 EFADHO C[C@H](CC1CCOCC1)CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000349979085 142385656 /nfs/dbraw/zinc/38/56/56/142385656.db2.gz VRSJQZPWKRKOGC-UYAOXDASSA-N 1 3 337.552 2.541 20 0 EFADHO CC(C)N1CCCN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000341152846 145002749 /nfs/dbraw/zinc/00/27/49/145002749.db2.gz RQTURVKTSGDYLU-UHFFFAOYSA-N 1 3 348.491 2.575 20 0 EFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3ncc[nH]3)cc2)C[C@H]1C ZINC000341279932 145025278 /nfs/dbraw/zinc/02/52/78/145025278.db2.gz UBNIQVLEKGPYSI-IAGOWNOFSA-N 1 3 342.487 2.709 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341301995 145029199 /nfs/dbraw/zinc/02/91/99/145029199.db2.gz GICKMOFNCMNGSE-KRWDZBQOSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341301995 145029200 /nfs/dbraw/zinc/02/92/00/145029200.db2.gz GICKMOFNCMNGSE-KRWDZBQOSA-N 1 3 334.508 2.536 20 0 EFADHO COc1ccc(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(C)c1OC ZINC000342110043 145063857 /nfs/dbraw/zinc/06/38/57/145063857.db2.gz WEDGMWMBPVTDGI-MRXNPFEDSA-N 1 3 348.487 2.603 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@H]21 ZINC000342138620 145068917 /nfs/dbraw/zinc/06/89/17/145068917.db2.gz NNPJQIJWHCVJJQ-FVQBIDKESA-N 1 3 346.862 2.992 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000342237219 145085634 /nfs/dbraw/zinc/08/56/34/145085634.db2.gz CFMGHUGNZGAIMN-RTBURBONSA-N 1 3 345.531 2.717 20 0 EFADHO CCN1CCC[C@H]1CN(C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342712394 145177610 /nfs/dbraw/zinc/17/76/10/145177610.db2.gz RMLXGZZBBVICPT-IBGZPJMESA-N 1 3 343.515 2.785 20 0 EFADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342721997 145179301 /nfs/dbraw/zinc/17/93/01/145179301.db2.gz AOPIDGPKOLGMJR-LPHOPBHVSA-N 1 3 341.499 2.537 20 0 EFADHO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000342812704 145198794 /nfs/dbraw/zinc/19/87/94/145198794.db2.gz MDKQTSSYWKHTTD-INIZCTEOSA-N 1 3 328.460 2.534 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343598909 145248241 /nfs/dbraw/zinc/24/82/41/145248241.db2.gz INELPQRFFIVGDI-LPHOPBHVSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343598909 145248243 /nfs/dbraw/zinc/24/82/43/145248243.db2.gz INELPQRFFIVGDI-LPHOPBHVSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343598910 145248642 /nfs/dbraw/zinc/24/86/42/145248642.db2.gz INELPQRFFIVGDI-QFBILLFUSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000343598910 145248644 /nfs/dbraw/zinc/24/86/44/145248644.db2.gz INELPQRFFIVGDI-QFBILLFUSA-N 1 3 346.519 2.809 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000343730911 145281288 /nfs/dbraw/zinc/28/12/88/145281288.db2.gz FIDACHXSWKZWOI-QFBILLFUSA-N 1 3 344.503 2.516 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343789847 145295298 /nfs/dbraw/zinc/29/52/98/145295298.db2.gz BPRLEEBDDKYMKO-TWMKSMIVSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCCN(C)[C@@H]2C)C1 ZINC000343789847 145295300 /nfs/dbraw/zinc/29/53/00/145295300.db2.gz BPRLEEBDDKYMKO-TWMKSMIVSA-N 1 3 338.540 2.525 20 0 EFADHO Cc1cccc2ncc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)n21 ZINC000343810540 145300268 /nfs/dbraw/zinc/30/02/68/145300268.db2.gz OYAOJJIRKOMKRC-IAGOWNOFSA-N 1 3 330.476 2.622 20 0 EFADHO Cc1cccc2ncc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)n21 ZINC000343810533 145300560 /nfs/dbraw/zinc/30/05/60/145300560.db2.gz OYAOJJIRKOMKRC-CALCHBBNSA-N 1 3 330.476 2.622 20 0 EFADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000343918724 145324355 /nfs/dbraw/zinc/32/43/55/145324355.db2.gz FHERIBGANZGMDU-WIYYLYMNSA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000343918724 145324357 /nfs/dbraw/zinc/32/43/57/145324357.db2.gz FHERIBGANZGMDU-WIYYLYMNSA-N 1 3 345.531 2.932 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000343978732 145337521 /nfs/dbraw/zinc/33/75/21/145337521.db2.gz LCDARMCGJMSXJF-VQIMIIECSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@H]1N1CCN(C)CC1 ZINC000343978732 145337524 /nfs/dbraw/zinc/33/75/24/145337524.db2.gz LCDARMCGJMSXJF-VQIMIIECSA-N 1 3 327.472 2.891 20 0 EFADHO COc1ccccc1C[C@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000344008837 145344578 /nfs/dbraw/zinc/34/45/78/145344578.db2.gz ZMFHQLQRGFWZPX-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000344059170 145358017 /nfs/dbraw/zinc/35/80/17/145358017.db2.gz KOOYHRBDCMRNKQ-IBGZPJMESA-N 1 3 347.503 2.967 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000344059170 145358019 /nfs/dbraw/zinc/35/80/19/145358019.db2.gz KOOYHRBDCMRNKQ-IBGZPJMESA-N 1 3 347.503 2.967 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000344059171 145358272 /nfs/dbraw/zinc/35/82/72/145358272.db2.gz KOOYHRBDCMRNKQ-LJQANCHMSA-N 1 3 347.503 2.967 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000344059171 145358274 /nfs/dbraw/zinc/35/82/74/145358274.db2.gz KOOYHRBDCMRNKQ-LJQANCHMSA-N 1 3 347.503 2.967 20 0 EFADHO COc1ccc(CN(C)CCCN(C)CC[NH+](C)C)c(Cl)c1 ZINC000344076488 145363053 /nfs/dbraw/zinc/36/30/53/145363053.db2.gz VQFLGUUIWYKPLZ-UHFFFAOYSA-N 1 3 327.900 2.664 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348866737 146016168 /nfs/dbraw/zinc/01/61/68/146016168.db2.gz HAPZQRKTILQVDB-PZJWPPBQSA-N 1 3 346.515 2.849 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2occc2C)CC1 ZINC000348904040 146022428 /nfs/dbraw/zinc/02/24/28/146022428.db2.gz JTOBYVNGYAMJLC-UHFFFAOYSA-N 1 3 335.492 2.648 20 0 EFADHO CCOc1cccc(CN(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000349077922 146048315 /nfs/dbraw/zinc/04/83/15/146048315.db2.gz QSWNIHNVHUVMRZ-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO CCOc1cccc(CN(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000349077922 146048316 /nfs/dbraw/zinc/04/83/16/146048316.db2.gz QSWNIHNVHUVMRZ-IBGZPJMESA-N 1 3 333.520 2.933 20 0 EFADHO C[C@@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)C1CC[NH2+]CC1 ZINC000350732699 146085299 /nfs/dbraw/zinc/08/52/99/146085299.db2.gz RNTMMPOJIIVFBB-AWEZNQCLSA-N 1 3 328.460 2.976 20 0 EFADHO C[C@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000350780559 146090261 /nfs/dbraw/zinc/09/02/61/146090261.db2.gz DQUAHAWBAMSRIC-PBHICJAKSA-N 1 3 328.460 2.976 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350923181 146100869 /nfs/dbraw/zinc/10/08/69/146100869.db2.gz WODIMWINIIKHHX-KRWDZBQOSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000351059579 146108466 /nfs/dbraw/zinc/10/84/66/146108466.db2.gz BVUSGQWJBGORNN-MWDXBVQZSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccco1 ZINC000351059579 146108468 /nfs/dbraw/zinc/10/84/68/146108468.db2.gz BVUSGQWJBGORNN-MWDXBVQZSA-N 1 3 348.491 2.635 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351060381 146109063 /nfs/dbraw/zinc/10/90/63/146109063.db2.gz DOFRZAQBYHYJPG-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000351060381 146109064 /nfs/dbraw/zinc/10/90/64/146109064.db2.gz DOFRZAQBYHYJPG-ROUUACIJSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CN(C)C[C@H]1CCCC[C@@H]1O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140308 146112131 /nfs/dbraw/zinc/11/21/31/146112131.db2.gz GMQJVRYTJOEFNJ-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN(C)C[C@H]1CCCC[C@@H]1O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140308 146112133 /nfs/dbraw/zinc/11/21/33/146112133.db2.gz GMQJVRYTJOEFNJ-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000351140308 146112135 /nfs/dbraw/zinc/11/21/35/146112135.db2.gz GMQJVRYTJOEFNJ-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000351140308 146112137 /nfs/dbraw/zinc/11/21/37/146112137.db2.gz GMQJVRYTJOEFNJ-KNJMJIDISA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1cccc(CN(C)C)c1 ZINC000351714341 146185100 /nfs/dbraw/zinc/18/51/00/146185100.db2.gz CPXFJDDULYFCKM-INIZCTEOSA-N 1 3 346.519 2.620 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351876510 146224213 /nfs/dbraw/zinc/22/42/13/146224213.db2.gz FYKHROUNWSEVOQ-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000351876510 146224216 /nfs/dbraw/zinc/22/42/16/146224216.db2.gz FYKHROUNWSEVOQ-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cnn(CC(F)F)c2)C1 ZINC000352130705 146297110 /nfs/dbraw/zinc/29/71/10/146297110.db2.gz JQECABVKBDUJBW-HUUCEWRRSA-N 1 3 328.451 2.996 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352132088 146297297 /nfs/dbraw/zinc/29/72/97/146297297.db2.gz YXEAHWPFTRKDHO-OAHLLOKOSA-N 1 3 331.460 2.733 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)oc(=O)n3C)C1 ZINC000352132088 146297298 /nfs/dbraw/zinc/29/72/98/146297298.db2.gz YXEAHWPFTRKDHO-OAHLLOKOSA-N 1 3 331.460 2.733 20 0 EFADHO CC(C)OC(=O)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352827170 146326243 /nfs/dbraw/zinc/32/62/43/146326243.db2.gz UUBZBVWTPORGHP-FQEVSTJZSA-N 1 3 330.472 2.926 20 0 EFADHO CC(C)OC(=O)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352827170 146326245 /nfs/dbraw/zinc/32/62/45/146326245.db2.gz UUBZBVWTPORGHP-FQEVSTJZSA-N 1 3 330.472 2.926 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)N(C)C ZINC000352901919 146344564 /nfs/dbraw/zinc/34/45/64/146344564.db2.gz MOJBTXDKRDXANA-GJYPPUQNSA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)N(C)C ZINC000352901919 146344566 /nfs/dbraw/zinc/34/45/66/146344566.db2.gz MOJBTXDKRDXANA-GJYPPUQNSA-N 1 3 346.519 2.768 20 0 EFADHO NC(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000353450571 146482723 /nfs/dbraw/zinc/48/27/23/146482723.db2.gz ONYPWNLRKMBSBP-OAHLLOKOSA-N 1 3 343.393 2.568 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)N1CCC[C@H](C)C1)C(C)C ZINC000355783002 147062297 /nfs/dbraw/zinc/06/22/97/147062297.db2.gz YFMBZMSIHQRWED-ROUUACIJSA-N 1 3 340.556 2.867 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000355931845 147102394 /nfs/dbraw/zinc/10/23/94/147102394.db2.gz CLKQNFJWNWBHQB-ROUUACIJSA-N 1 3 340.556 2.867 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)CN1CCCCC1)C(C)C ZINC000355942813 147104719 /nfs/dbraw/zinc/10/47/19/147104719.db2.gz MSDBXSQUQGFXTA-KRWDZBQOSA-N 1 3 326.529 2.621 20 0 EFADHO CCN1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000356035406 147128691 /nfs/dbraw/zinc/12/86/91/147128691.db2.gz AXYWGEZRRAUXJA-UHFFFAOYSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000356057303 147134694 /nfs/dbraw/zinc/13/46/94/147134694.db2.gz IVWBBFVJOBVDIZ-RDJZCZTQSA-N 1 3 336.524 2.565 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1)C1CC1 ZINC000356283217 147199465 /nfs/dbraw/zinc/19/94/65/147199465.db2.gz QNWDMMJIAITEIQ-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(CCN(C)C)C2CC2)cc1)C1CC1 ZINC000356283217 147199467 /nfs/dbraw/zinc/19/94/67/147199467.db2.gz QNWDMMJIAITEIQ-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@H]1CCCOC1 ZINC000356860284 147356673 /nfs/dbraw/zinc/35/66/73/147356673.db2.gz YKBVXXVETDTZJO-UXHICEINSA-N 1 3 345.531 2.994 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000356891592 147364720 /nfs/dbraw/zinc/36/47/20/147364720.db2.gz GZHHFXHQZRCVPF-GHTZIAJQSA-N 1 3 345.531 2.729 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H]3CCCOC3)cc2)CC1 ZINC000356895731 147365339 /nfs/dbraw/zinc/36/53/39/147365339.db2.gz KWOTVWJZERVSCI-RXVVDRJESA-N 1 3 345.531 2.729 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357098789 147426016 /nfs/dbraw/zinc/42/60/16/147426016.db2.gz BKRZYUYGIKZLKA-FRQCXROJSA-N 1 3 329.488 2.574 20 0 EFADHO COC1CCN(C(C)(C)CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422886306 292169509 /nfs/dbraw/zinc/16/95/09/292169509.db2.gz IVJCXAPFJLVAAX-SJORKVTESA-N 1 3 325.541 2.776 20 0 EFADHO CO[C@H](CC(C)C)C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1 ZINC000419228273 285982078 /nfs/dbraw/zinc/98/20/78/285982078.db2.gz LXEYRZAKBNQINT-LJQANCHMSA-N 1 3 325.541 2.538 20 0 EFADHO COc1cccc(NC(=O)CCN(CCC[NH3+])Cc2ccccc2)c1 ZINC000359273977 148042564 /nfs/dbraw/zinc/04/25/64/148042564.db2.gz ABYWUVRQURCOLL-UHFFFAOYSA-N 1 3 341.455 2.875 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H](CCO)C3CCOCC3)CC2)C1 ZINC000359401350 148075983 /nfs/dbraw/zinc/07/59/83/148075983.db2.gz SOOIVCDJZIWLRO-UXPWSPDFSA-N 1 3 338.536 2.797 20 0 EFADHO CO[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000359411764 148078527 /nfs/dbraw/zinc/07/85/27/148078527.db2.gz FDPRAGRQOPJWFW-NCYKPQTJSA-N 1 3 344.499 2.682 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2CCN(C)C[C@@H]2C)N2CCCC2)cc1 ZINC000359577437 148128567 /nfs/dbraw/zinc/12/85/67/148128567.db2.gz AXNSWZGZHPSGCX-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000359577437 148128569 /nfs/dbraw/zinc/12/85/69/148128569.db2.gz AXNSWZGZHPSGCX-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)N2CCCC2)cc1 ZINC000359577437 148128571 /nfs/dbraw/zinc/12/85/71/148128571.db2.gz AXNSWZGZHPSGCX-DBVUQKKJSA-N 1 3 331.504 2.762 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC2(N(C)C)CCCC2)[C@@H](C)C1 ZINC000359608029 148138081 /nfs/dbraw/zinc/13/80/81/148138081.db2.gz RQXDDYDWCBOEOJ-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000359667689 148156964 /nfs/dbraw/zinc/15/69/64/148156964.db2.gz PIWRGRULZDAWFH-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000359667690 148157010 /nfs/dbraw/zinc/15/70/10/148157010.db2.gz PIWRGRULZDAWFH-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO COC1(C[NH2+]CCCN2CCN(c3ccncc3)CC2)CCCCC1 ZINC000359750602 148179552 /nfs/dbraw/zinc/17/95/52/148179552.db2.gz UWLCVRMMYRACDT-UHFFFAOYSA-N 1 3 346.519 2.533 20 0 EFADHO CC[C@H](C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)N(CC)CC ZINC000359811372 148195763 /nfs/dbraw/zinc/19/57/63/148195763.db2.gz RWWMPGFYPUWJFH-MRXNPFEDSA-N 1 3 335.496 2.599 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)[C@@H](C)C1 ZINC000359860872 148209666 /nfs/dbraw/zinc/20/96/66/148209666.db2.gz YKDKADYTFABQMH-UFYCRDLUSA-N 1 3 339.568 2.833 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000359943567 148230487 /nfs/dbraw/zinc/23/04/87/148230487.db2.gz QPHYMPIAJMBMFT-ZRNYENFQSA-N 1 3 339.568 2.833 20 0 EFADHO c1cc2c(cc1CCN1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000360002322 148245737 /nfs/dbraw/zinc/24/57/37/148245737.db2.gz FASUEZMJWKVMHZ-UHFFFAOYSA-N 1 3 330.472 2.808 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](CC)N2CCCC2)[C@H](C)C1 ZINC000360079351 148266245 /nfs/dbraw/zinc/26/62/45/148266245.db2.gz ODXZTERVEQVFLZ-QYZOEREBSA-N 1 3 325.541 2.587 20 0 EFADHO OCCCC1CCN(C/C=C/C[NH+]2CCC(CCCO)CC2)CC1 ZINC000360090659 148268929 /nfs/dbraw/zinc/26/89/29/148268929.db2.gz XTTJCMPZJMNHFO-OWOJBTEDSA-N 1 3 338.536 2.512 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)CN2CCCCC2)[C@H](C)C1 ZINC000360154660 148285762 /nfs/dbraw/zinc/28/57/62/148285762.db2.gz UYOCSSXHPBIYPX-ZCNNSNEGSA-N 1 3 339.568 2.835 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC000360297409 148323707 /nfs/dbraw/zinc/32/37/07/148323707.db2.gz WTFPFPQEJYFADF-NZSAHSFTSA-N 1 3 331.504 2.744 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360349340 148338200 /nfs/dbraw/zinc/33/82/00/148338200.db2.gz ZBNCKBMQOTWXQO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000360349340 148338202 /nfs/dbraw/zinc/33/82/02/148338202.db2.gz ZBNCKBMQOTWXQO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360363713 148342177 /nfs/dbraw/zinc/34/21/77/148342177.db2.gz ZYYLJVTWGMTWIC-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000360363713 148342180 /nfs/dbraw/zinc/34/21/80/148342180.db2.gz ZYYLJVTWGMTWIC-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc2c(c1)CCC2 ZINC000363780271 149011470 /nfs/dbraw/zinc/01/14/70/149011470.db2.gz BWQQFMLAKXEDLL-UZLBHIALSA-N 1 3 327.516 2.994 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])N2CCCC2)cc1 ZINC000261748934 292199170 /nfs/dbraw/zinc/19/91/70/292199170.db2.gz MLHIMDYVNMHGNU-IPMKNSEASA-N 1 3 329.488 2.766 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000357740407 292200020 /nfs/dbraw/zinc/20/00/20/292200020.db2.gz JLQIJTJDXKUJBJ-SJLPKXTDSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000357740407 292200021 /nfs/dbraw/zinc/20/00/21/292200021.db2.gz JLQIJTJDXKUJBJ-SJLPKXTDSA-N 1 3 334.508 2.626 20 0 EFADHO COCCC1(C[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000364670033 149213259 /nfs/dbraw/zinc/21/32/59/149213259.db2.gz ZKCHDHUHSDQTIJ-GOSISDBHSA-N 1 3 337.552 2.732 20 0 EFADHO CSC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCC1 ZINC000368216743 150068151 /nfs/dbraw/zinc/06/81/51/150068151.db2.gz UDPHKJGIMQFMFC-UHFFFAOYSA-N 1 3 325.566 2.622 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368949541 150242849 /nfs/dbraw/zinc/24/28/49/150242849.db2.gz IYHFTTOVNPSPHJ-MRXNPFEDSA-N 1 3 346.471 2.687 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1 ZINC000368949541 150242851 /nfs/dbraw/zinc/24/28/51/150242851.db2.gz IYHFTTOVNPSPHJ-MRXNPFEDSA-N 1 3 346.471 2.687 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1 ZINC000368949541 150242853 /nfs/dbraw/zinc/24/28/53/150242853.db2.gz IYHFTTOVNPSPHJ-MRXNPFEDSA-N 1 3 346.471 2.687 20 0 EFADHO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCCCC2)CCN(C)CC1 ZINC000354509925 286179917 /nfs/dbraw/zinc/17/99/17/286179917.db2.gz LOKHNPPUPINCSO-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000369265647 150314876 /nfs/dbraw/zinc/31/48/76/150314876.db2.gz LJYZVCCIKWEJNT-PXNSSMCTSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000369265647 150314878 /nfs/dbraw/zinc/31/48/78/150314878.db2.gz LJYZVCCIKWEJNT-PXNSSMCTSA-N 1 3 331.504 2.543 20 0 EFADHO CCN1CCC[C@@H](CN(C)CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000372540985 151025481 /nfs/dbraw/zinc/02/54/81/151025481.db2.gz TYFJFTMBEMPWJE-DFQSSKMNSA-N 1 3 347.551 2.609 20 0 EFADHO CCN1CCC[C@@H](CN(C)CC[C@H]2CCC[N@H+]2C)[C@@H]1c1cnn(C)c1 ZINC000372540985 151025482 /nfs/dbraw/zinc/02/54/82/151025482.db2.gz TYFJFTMBEMPWJE-DFQSSKMNSA-N 1 3 347.551 2.609 20 0 EFADHO C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1=CCN(C)CC1 ZINC000373315212 151151431 /nfs/dbraw/zinc/15/14/31/151151431.db2.gz CMTXYYBBQAOVSX-INIZCTEOSA-N 1 3 348.535 2.733 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374157078 151292854 /nfs/dbraw/zinc/29/28/54/151292854.db2.gz DVXKZKZBUKCPRQ-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO COC(=O)c1cccc(OCCN2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374176606 151296664 /nfs/dbraw/zinc/29/66/64/151296664.db2.gz TXYCHWWVSHKVGY-UHFFFAOYSA-N 1 3 346.471 2.660 20 0 EFADHO CN(C)c1ncc(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000374281671 151314644 /nfs/dbraw/zinc/31/46/44/151314644.db2.gz YPKVENUOFDVMCC-HXUWFJFHSA-N 1 3 339.487 2.544 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374289482 151315784 /nfs/dbraw/zinc/31/57/84/151315784.db2.gz XKANJGABBXMYSU-FXAWDEMLSA-N 1 3 330.520 2.723 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374289484 151316182 /nfs/dbraw/zinc/31/61/82/151316182.db2.gz XKANJGABBXMYSU-XLIONFOSSA-N 1 3 330.520 2.723 20 0 EFADHO CCc1cccc(OCC[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323299 151322822 /nfs/dbraw/zinc/32/28/22/151322822.db2.gz HFYTYXOVQNKGOI-GHTZIAJQSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCC[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323299 151322824 /nfs/dbraw/zinc/32/28/24/151322824.db2.gz HFYTYXOVQNKGOI-GHTZIAJQSA-N 1 3 345.531 2.586 20 0 EFADHO CCc1cccc(OCCN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374323299 151322826 /nfs/dbraw/zinc/32/28/26/151322826.db2.gz HFYTYXOVQNKGOI-GHTZIAJQSA-N 1 3 345.531 2.586 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000374382472 151336968 /nfs/dbraw/zinc/33/69/68/151336968.db2.gz AMSSFCDJRBACPU-FQEVSTJZSA-N 1 3 344.499 2.692 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000374522955 151362462 /nfs/dbraw/zinc/36/24/62/151362462.db2.gz UOSAMFHGXSRDIK-QZTJIDSGSA-N 1 3 342.483 2.972 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC2(CC2)C(=O)O1 ZINC000374522955 151362463 /nfs/dbraw/zinc/36/24/63/151362463.db2.gz UOSAMFHGXSRDIK-QZTJIDSGSA-N 1 3 342.483 2.972 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000338293528 292252959 /nfs/dbraw/zinc/25/29/59/292252959.db2.gz INASGAUXLHDIOL-MJGOQNOKSA-N 1 3 346.519 2.771 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C12CCCCC2 ZINC000181705612 286280819 /nfs/dbraw/zinc/28/08/19/286280819.db2.gz BKARYFWOPMNIAF-RTBURBONSA-N 1 3 337.552 2.732 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C1(CC)CC ZINC000442875229 286281674 /nfs/dbraw/zinc/28/16/74/286281674.db2.gz NLRFEVDXBCDPMC-IAGOWNOFSA-N 1 3 325.541 2.586 20 0 EFADHO Cc1ccncc1CCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000377703175 151928305 /nfs/dbraw/zinc/92/83/05/151928305.db2.gz VZKKOLRWLFAEEJ-UHFFFAOYSA-N 1 3 344.547 2.672 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000378199645 152030817 /nfs/dbraw/zinc/03/08/17/152030817.db2.gz BCHXABNBCOPTER-IEBWSBKVSA-N 1 3 329.488 2.547 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370638293 286371072 /nfs/dbraw/zinc/37/10/72/286371072.db2.gz XFKKQYDTCUUVHA-LMMKCTJWSA-N 1 3 345.531 2.945 20 0 EFADHO COc1ccc([C@H](CN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509710 286373130 /nfs/dbraw/zinc/37/31/30/286373130.db2.gz RVSCFNDTEOAKOC-FZCLSBEQSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509710 286373131 /nfs/dbraw/zinc/37/31/31/286373131.db2.gz RVSCFNDTEOAKOC-FZCLSBEQSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)N(C)C)cc1OC ZINC000089509710 286373132 /nfs/dbraw/zinc/37/31/32/286373132.db2.gz RVSCFNDTEOAKOC-FZCLSBEQSA-N 1 3 349.519 2.625 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1ccc2c(c1)COC(C)(C)O2 ZINC000186408215 286442249 /nfs/dbraw/zinc/44/22/49/286442249.db2.gz HAGGYTVAELQXED-QGZVFWFLSA-N 1 3 336.476 2.778 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000188254094 286834741 /nfs/dbraw/zinc/83/47/41/286834741.db2.gz UGDWBYWUJPRDJZ-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCCc1nnc2n1CCCCC2 ZINC000422921376 286891893 /nfs/dbraw/zinc/89/18/93/286891893.db2.gz NZYZFKWSJQHDLV-IRXDYDNUSA-N 1 3 333.524 2.838 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000439762098 287157053 /nfs/dbraw/zinc/15/70/53/287157053.db2.gz AHNCZFJFABCOEY-BBWFWOEESA-N 1 3 344.503 2.596 20 0 EFADHO C[C@@H](c1ccncc1)N1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000439762098 287157054 /nfs/dbraw/zinc/15/70/54/287157054.db2.gz AHNCZFJFABCOEY-BBWFWOEESA-N 1 3 344.503 2.596 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000352129946 287266902 /nfs/dbraw/zinc/26/69/02/287266902.db2.gz DSIJBROSAQRTFM-IXDOHACOSA-N 1 3 330.538 2.586 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000237344276 287276447 /nfs/dbraw/zinc/27/64/47/287276447.db2.gz VDEHWQFQVRGJDA-VQIMIIECSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000237344276 287276450 /nfs/dbraw/zinc/27/64/50/287276450.db2.gz VDEHWQFQVRGJDA-VQIMIIECSA-N 1 3 329.488 2.819 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169090924 226231887 /nfs/dbraw/zinc/23/18/87/226231887.db2.gz COBFYCFBMBOLKD-JKSUJKDBSA-N 1 3 331.460 2.536 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C3(N)CCCCC3)cc21 ZINC000169236701 226234463 /nfs/dbraw/zinc/23/44/63/226234463.db2.gz SJTNTUWFXZBVAN-UHFFFAOYSA-N 1 3 328.460 2.803 20 0 EFADHO C[C@@H](NCc1cccc(C(N)=O)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122204044 222036404 /nfs/dbraw/zinc/03/64/04/222036404.db2.gz LBWINIOYYANKLH-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000171629943 227184698 /nfs/dbraw/zinc/18/46/98/227184698.db2.gz YWDXFUYSTJPLFD-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)CCCC[NH+](C)C ZINC000081810681 544500262 /nfs/dbraw/zinc/50/02/62/544500262.db2.gz IWKLWUDXXLZQES-UHFFFAOYSA-N 1 3 331.460 2.908 20 0 EFADHO CC(C)[C@H](NC1CC[NH+](Cc2ccccc2)CC1)C(=O)N1CCCC1 ZINC000089723649 544526854 /nfs/dbraw/zinc/52/68/54/544526854.db2.gz VJGRZVDXWSOZEE-FQEVSTJZSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000119439866 544577974 /nfs/dbraw/zinc/57/79/74/544577974.db2.gz CTNVDJQFGINTLM-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121057950 544592681 /nfs/dbraw/zinc/59/26/81/544592681.db2.gz SRCOPNQLKABJLA-LJQANCHMSA-N 1 3 337.458 2.959 20 0 EFADHO CCC[NH+]1CCC(NCCc2c(OC)cc(OC)cc2OC)CC1 ZINC000157070303 544773166 /nfs/dbraw/zinc/77/31/66/544773166.db2.gz AHIINBKOGZABPL-UHFFFAOYSA-N 1 3 336.476 2.719 20 0 EFADHO CCCN1CCC([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)CC1 ZINC000162717668 544828432 /nfs/dbraw/zinc/82/84/32/544828432.db2.gz BEZFLYCCAFGULQ-UHFFFAOYSA-N 1 3 348.535 2.967 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000164845792 544844578 /nfs/dbraw/zinc/84/45/78/544844578.db2.gz CSLDWVSKNPCMEJ-HLIPFELVSA-N 1 3 343.515 2.923 20 0 EFADHO C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000166583836 544852240 /nfs/dbraw/zinc/85/22/40/544852240.db2.gz LQXYRFSRSRMKOO-ZWKOTPCHSA-N 1 3 337.577 2.955 20 0 EFADHO C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000166583836 544852244 /nfs/dbraw/zinc/85/22/44/544852244.db2.gz LQXYRFSRSRMKOO-ZWKOTPCHSA-N 1 3 337.577 2.955 20 0 EFADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166467529 544852503 /nfs/dbraw/zinc/85/25/03/544852503.db2.gz NQADAFBJIYXVKB-VQTJNVASSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166467529 544852508 /nfs/dbraw/zinc/85/25/08/544852508.db2.gz NQADAFBJIYXVKB-VQTJNVASSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166467529 544852511 /nfs/dbraw/zinc/85/25/11/544852511.db2.gz NQADAFBJIYXVKB-VQTJNVASSA-N 1 3 341.499 2.816 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178003660 544900737 /nfs/dbraw/zinc/90/07/37/544900737.db2.gz PGSSJBNGPDJCTH-QGZVFWFLSA-N 1 3 337.508 2.980 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178034546 544900879 /nfs/dbraw/zinc/90/08/79/544900879.db2.gz JTSSUXXXPGYNEP-YOEHRIQHSA-N 1 3 337.508 2.978 20 0 EFADHO C(=C\C[N@@H+]1CCOCC2(CCC2)C1)\CN1CCOCC2(CCC2)C1 ZINC000680583143 549353469 /nfs/dbraw/zinc/35/34/69/549353469.db2.gz HSIYNUUURKZOFP-UPHRSURJSA-N 1 3 334.504 2.548 20 0 EFADHO C(=C\C[N@H+]1CCOCC2(CCC2)C1)\CN1CCOCC2(CCC2)C1 ZINC000680583143 549353472 /nfs/dbraw/zinc/35/34/72/549353472.db2.gz HSIYNUUURKZOFP-UPHRSURJSA-N 1 3 334.504 2.548 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC1CCC1 ZINC000184746375 265025281 /nfs/dbraw/zinc/02/52/81/265025281.db2.gz ZVAZYIOVAWIWIH-IRXDYDNUSA-N 1 3 343.515 2.649 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN(C)C)cc2)C12CCOCC2 ZINC000186213299 265058634 /nfs/dbraw/zinc/05/86/34/265058634.db2.gz PKAYRHXHCNPTIR-RTBURBONSA-N 1 3 332.488 2.812 20 0 EFADHO CCOC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000186466881 265069329 /nfs/dbraw/zinc/06/93/29/265069329.db2.gz ZTYXCQPKSYFLQS-DOTOQJQBSA-N 1 3 349.475 2.508 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191174507 265253927 /nfs/dbraw/zinc/25/39/27/265253927.db2.gz IFMRRNMHHBXGKQ-CVEARBPZSA-N 1 3 335.540 2.623 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495668 265265843 /nfs/dbraw/zinc/26/58/43/265265843.db2.gz QHEZFCNIGYYVKJ-QAPCUYQASA-N 1 3 349.544 2.848 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000192803206 265308982 /nfs/dbraw/zinc/30/89/82/265308982.db2.gz NTCODTYRIOKECT-OALUTQOASA-N 1 3 339.568 2.976 20 0 EFADHO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCCN1CCN(C(C)C)CC1 ZINC000192804446 265309068 /nfs/dbraw/zinc/30/90/68/265309068.db2.gz LDGUNZROCYONKT-RTBURBONSA-N 1 3 325.541 2.586 20 0 EFADHO CCC[C@@]1(COC)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192850094 265309206 /nfs/dbraw/zinc/30/92/06/265309206.db2.gz LZFLTUQUBUTELA-IBGZPJMESA-N 1 3 325.541 2.684 20 0 EFADHO CCC[C@@]1(COC)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192850094 265309213 /nfs/dbraw/zinc/30/92/13/265309213.db2.gz LZFLTUQUBUTELA-IBGZPJMESA-N 1 3 325.541 2.684 20 0 EFADHO CCN1CCN(CCCC[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193270267 265321899 /nfs/dbraw/zinc/32/18/99/265321899.db2.gz JYYXLZUOOAVNMQ-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO O=C(CN1CCCCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193512671 265335073 /nfs/dbraw/zinc/33/50/73/265335073.db2.gz SHUFJYJIVKIJHJ-UHFFFAOYSA-N 1 3 329.488 2.775 20 0 EFADHO CC[C@H](NCCc1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000271719389 266048029 /nfs/dbraw/zinc/04/80/29/266048029.db2.gz PTEMQZFZEPKSPJ-SFHVURJKSA-N 1 3 330.476 2.644 20 0 EFADHO Cn1ccnc1[C@@H](NCCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000271810486 266066653 /nfs/dbraw/zinc/06/66/53/266066653.db2.gz NGXALSWXMKOBGZ-IBGZPJMESA-N 1 3 342.487 2.644 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271817712 266069307 /nfs/dbraw/zinc/06/93/07/266069307.db2.gz OMRUQZCUGVTJMF-IAGOWNOFSA-N 1 3 340.533 2.949 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1=CCN(C)CC1 ZINC000271827340 266071995 /nfs/dbraw/zinc/07/19/95/266071995.db2.gz DIMKCCATTKUGIJ-HNNXBMFYSA-N 1 3 349.906 2.929 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)ccn1 ZINC000271836580 266074766 /nfs/dbraw/zinc/07/47/66/266074766.db2.gz GCWDKVAVRGAFIO-QRVBRYPASA-N 1 3 327.472 2.845 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)NCC1=CCN(C)CC1)c1ccccc1 ZINC000272130107 266163382 /nfs/dbraw/zinc/16/33/82/266163382.db2.gz WBQQFFLWSHYHBN-INIZCTEOSA-N 1 3 344.503 2.677 20 0 EFADHO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272194585 266184162 /nfs/dbraw/zinc/18/41/62/266184162.db2.gz LALJNJWBIQBJCM-DWRORGKVSA-N 1 3 331.504 2.790 20 0 EFADHO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000272239750 266201026 /nfs/dbraw/zinc/20/10/26/266201026.db2.gz WGLZOHNPNVCFRW-MAUKXSAKSA-N 1 3 341.455 2.802 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280924 266213870 /nfs/dbraw/zinc/21/38/70/266213870.db2.gz MSCPGURFNRYQSZ-UHOSZYNNSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280924 266213872 /nfs/dbraw/zinc/21/38/72/266213872.db2.gz MSCPGURFNRYQSZ-UHOSZYNNSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280919 266214627 /nfs/dbraw/zinc/21/46/27/266214627.db2.gz MSCPGURFNRYQSZ-NEWSRXKRSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280919 266214630 /nfs/dbraw/zinc/21/46/30/266214630.db2.gz MSCPGURFNRYQSZ-NEWSRXKRSA-N 1 3 331.504 2.599 20 0 EFADHO COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000272494132 266283752 /nfs/dbraw/zinc/28/37/52/266283752.db2.gz UVYKKZJAYSYWOT-HXUWFJFHSA-N 1 3 340.467 2.831 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272550737 266304299 /nfs/dbraw/zinc/30/42/99/266304299.db2.gz SPUZPDMNZRZJDJ-HKUYNNGSSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272600310 266322449 /nfs/dbraw/zinc/32/24/49/266322449.db2.gz YITGOOVHDFYUPS-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272600310 266322452 /nfs/dbraw/zinc/32/24/52/266322452.db2.gz YITGOOVHDFYUPS-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272600310 266322454 /nfs/dbraw/zinc/32/24/54/266322454.db2.gz YITGOOVHDFYUPS-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[NH+]1CCC(C)(CNCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000272604456 266324315 /nfs/dbraw/zinc/32/43/15/266324315.db2.gz SSWBQUIVXGNHCO-UHFFFAOYSA-N 1 3 342.386 2.838 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272657514 266341919 /nfs/dbraw/zinc/34/19/19/266341919.db2.gz MDFIHNWLOUDCAQ-SXLOBPIMSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272664239 266343894 /nfs/dbraw/zinc/34/38/94/266343894.db2.gz RZOXAUZKJOVAMB-IGGJEDBVSA-N 1 3 327.516 2.969 20 0 EFADHO O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000272698809 266355419 /nfs/dbraw/zinc/35/54/19/266355419.db2.gz RNADVPCLWBTQFL-WCIQWLHISA-N 1 3 346.540 2.745 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738725 266368539 /nfs/dbraw/zinc/36/85/39/266368539.db2.gz CLYWIJHDAYPMPR-PXNSSMCTSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CCN(C)CC1 ZINC000272738725 266368545 /nfs/dbraw/zinc/36/85/45/266368545.db2.gz CLYWIJHDAYPMPR-PXNSSMCTSA-N 1 3 341.499 2.665 20 0 EFADHO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1=CCN(C)CC1 ZINC000272758969 266374887 /nfs/dbraw/zinc/37/48/87/266374887.db2.gz FRIWXVTUZXUABK-QGZVFWFLSA-N 1 3 341.499 2.665 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000103211589 273000837 /nfs/dbraw/zinc/00/08/37/273000837.db2.gz NPCVAZSJJYRCCW-UHFFFAOYSA-N 1 3 332.275 2.559 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000276660552 267030152 /nfs/dbraw/zinc/03/01/52/267030152.db2.gz VZVWDPVCGYZMEG-NHCUHLMSSA-N 1 3 344.499 2.943 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277258851 267141421 /nfs/dbraw/zinc/14/14/21/267141421.db2.gz QTWJKPTVNRRXPT-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N(C)C)CC2)cc1 ZINC000277258851 267141422 /nfs/dbraw/zinc/14/14/22/267141422.db2.gz QTWJKPTVNRRXPT-QGZVFWFLSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277258848 267141748 /nfs/dbraw/zinc/14/17/48/267141748.db2.gz QTWJKPTVNRRXPT-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N(C)C)CC2)cc1 ZINC000277258848 267141751 /nfs/dbraw/zinc/14/17/51/267141751.db2.gz QTWJKPTVNRRXPT-KRWDZBQOSA-N 1 3 333.476 2.830 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000277390201 267171037 /nfs/dbraw/zinc/17/10/37/267171037.db2.gz XISQRBDJSYXZEE-RTBURBONSA-N 1 3 329.488 2.594 20 0 EFADHO CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000277887787 267289824 /nfs/dbraw/zinc/28/98/24/267289824.db2.gz ZOKAPFOVDLURHR-HKBOAZHASA-N 1 3 346.515 2.760 20 0 EFADHO CCOCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000277887787 267289826 /nfs/dbraw/zinc/28/98/26/267289826.db2.gz ZOKAPFOVDLURHR-HKBOAZHASA-N 1 3 346.515 2.760 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278505089 267462111 /nfs/dbraw/zinc/46/21/11/267462111.db2.gz ASIDEMALWHEBKL-RTWAWAEBSA-N 1 3 345.531 2.694 20 0 EFADHO CC(C)(C)OC(=O)NC1CCC([NH2+]CCCN2CCCC2)CC1 ZINC000174027478 273027208 /nfs/dbraw/zinc/02/72/08/273027208.db2.gz SBXHAOYUFQCTKT-UHFFFAOYSA-N 1 3 325.497 2.898 20 0 EFADHO Fc1ccccc1OCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959213 273026665 /nfs/dbraw/zinc/02/66/65/273026665.db2.gz JUVQQHOMJVDHPY-UHFFFAOYSA-N 1 3 336.451 2.781 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186106487 273051174 /nfs/dbraw/zinc/05/11/74/273051174.db2.gz YIKGRBKGXBJEIZ-HNNXBMFYSA-N 1 3 325.522 2.825 20 0 EFADHO CC[N@@H+]1CC[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000187748946 273052389 /nfs/dbraw/zinc/05/23/89/273052389.db2.gz WBEIWJDSRBZLBM-WBVHZDCISA-N 1 3 337.508 2.874 20 0 EFADHO CC[N@H+]1CC[C@H](NCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000187748946 273052390 /nfs/dbraw/zinc/05/23/90/273052390.db2.gz WBEIWJDSRBZLBM-WBVHZDCISA-N 1 3 337.508 2.874 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747970 273052434 /nfs/dbraw/zinc/05/24/34/273052434.db2.gz BJPRVVXGBZXWQA-BFYDXBDKSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747970 273052435 /nfs/dbraw/zinc/05/24/35/273052435.db2.gz BJPRVVXGBZXWQA-BFYDXBDKSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747990 273052442 /nfs/dbraw/zinc/05/24/42/273052442.db2.gz BJPRVVXGBZXWQA-HLLBOEOZSA-N 1 3 337.508 2.872 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000187747990 273052443 /nfs/dbraw/zinc/05/24/43/273052443.db2.gz BJPRVVXGBZXWQA-HLLBOEOZSA-N 1 3 337.508 2.872 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000193563769 273063116 /nfs/dbraw/zinc/06/31/16/273063116.db2.gz PVDVPICIKVDPNR-UHFFFAOYSA-N 1 3 330.476 2.744 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000193930601 273066466 /nfs/dbraw/zinc/06/64/66/273066466.db2.gz WHARLAXDQYODRO-FQEVSTJZSA-N 1 3 343.515 2.842 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269615234 273085854 /nfs/dbraw/zinc/08/58/54/273085854.db2.gz BUGCEOPBZCCXSK-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269615234 273085856 /nfs/dbraw/zinc/08/58/56/273085856.db2.gz BUGCEOPBZCCXSK-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CC(C)Oc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271700900 273106495 /nfs/dbraw/zinc/10/64/95/273106495.db2.gz NORCZQZKHMVBML-UHFFFAOYSA-N 1 3 333.520 2.932 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000277368452 273153073 /nfs/dbraw/zinc/15/30/73/273153073.db2.gz XLJTTXRTQIJDSW-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000277368452 273153074 /nfs/dbraw/zinc/15/30/74/273153074.db2.gz XLJTTXRTQIJDSW-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279004381 273165534 /nfs/dbraw/zinc/16/55/34/273165534.db2.gz GZVKAWZAGJKDCW-AZUAARDMSA-N 1 3 341.499 2.594 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCN1C1CC1 ZINC000279004381 273165535 /nfs/dbraw/zinc/16/55/35/273165535.db2.gz GZVKAWZAGJKDCW-AZUAARDMSA-N 1 3 341.499 2.594 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](COC)c1ccc(Cl)cc1 ZINC000279640094 273237246 /nfs/dbraw/zinc/23/72/46/273237246.db2.gz ARGISRFVVWKOPD-IRXDYDNUSA-N 1 3 328.884 2.974 20 0 EFADHO CCCCOC[C@@H](O)C[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000279651352 273238117 /nfs/dbraw/zinc/23/81/17/273238117.db2.gz BKCKFDHCSIAOGW-FQEVSTJZSA-N 1 3 349.519 2.798 20 0 EFADHO CCCCOC[C@@H](O)C[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000279651352 273238119 /nfs/dbraw/zinc/23/81/19/273238119.db2.gz BKCKFDHCSIAOGW-FQEVSTJZSA-N 1 3 349.519 2.798 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279743063 273248519 /nfs/dbraw/zinc/24/85/19/273248519.db2.gz PDLKNFFROQAMEY-QUCCMNQESA-N 1 3 333.520 2.770 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCN1Cc1ccccc1 ZINC000280871103 273375873 /nfs/dbraw/zinc/37/58/73/273375873.db2.gz ODPIDODMKBDMRU-RDPOXOKHSA-N 1 3 341.499 2.545 20 0 EFADHO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000283922431 273775177 /nfs/dbraw/zinc/77/51/77/273775177.db2.gz DTGHFNXDDVEGKX-FQEVSTJZSA-N 1 3 344.503 2.680 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285499693 274012466 /nfs/dbraw/zinc/01/24/66/274012466.db2.gz MRDHCJMBPRCMCX-SJPCQFCGSA-N 1 3 345.487 2.971 20 0 EFADHO CCOc1ccccc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285499693 274012469 /nfs/dbraw/zinc/01/24/69/274012469.db2.gz MRDHCJMBPRCMCX-SJPCQFCGSA-N 1 3 345.487 2.971 20 0 EFADHO CN(CCC(=O)N1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285660304 274047798 /nfs/dbraw/zinc/04/77/98/274047798.db2.gz ZABDNRUCGRSVMY-YOFSQIOKSA-N 1 3 341.499 2.518 20 0 EFADHO CN(CCC(=O)N1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285660304 274047800 /nfs/dbraw/zinc/04/78/00/274047800.db2.gz ZABDNRUCGRSVMY-YOFSQIOKSA-N 1 3 341.499 2.518 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000285667806 274049030 /nfs/dbraw/zinc/04/90/30/274049030.db2.gz PQTZPRVCRWCMBW-OAQYLSRUSA-N 1 3 345.531 2.601 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C(N)=O ZINC000285897715 274096332 /nfs/dbraw/zinc/09/63/32/274096332.db2.gz BDMLKFUYFCQMFA-GBESFXJTSA-N 1 3 343.515 2.778 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCN(CCN(C)C)CC1)CCC2 ZINC000268742194 274135546 /nfs/dbraw/zinc/13/55/46/274135546.db2.gz DKUYBYITLOWPSM-HXUWFJFHSA-N 1 3 331.504 2.688 20 0 EFADHO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000286268072 274165857 /nfs/dbraw/zinc/16/58/57/274165857.db2.gz TYCVJKZJLIKJCC-FGTMMUONSA-N 1 3 349.544 2.669 20 0 EFADHO Cc1cc(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000286414311 274196471 /nfs/dbraw/zinc/19/64/71/274196471.db2.gz QNPOPYWJWQEOHL-NRFANRHFSA-N 1 3 336.483 2.787 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353411960 274277192 /nfs/dbraw/zinc/27/71/92/274277192.db2.gz IIJYMSAQSIFIPL-HKUYNNGSSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000287242990 274376527 /nfs/dbraw/zinc/37/65/27/274376527.db2.gz SXQZIEURCZLCQT-QFBILLFUSA-N 1 3 346.519 2.850 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000289211592 274723992 /nfs/dbraw/zinc/72/39/92/274723992.db2.gz KNRFKMQGISMCJS-QAQDUYKDSA-N 1 3 329.488 2.777 20 0 EFADHO O=C1[C@@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1 ZINC000358508204 275027456 /nfs/dbraw/zinc/02/74/56/275027456.db2.gz OSTCSDQVFCLORP-INIZCTEOSA-N 1 3 333.863 2.521 20 0 EFADHO OC[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423011120 275049753 /nfs/dbraw/zinc/04/97/53/275049753.db2.gz ZBHJWBUDGFQECR-HFSMHLIXSA-N 1 3 338.451 2.608 20 0 EFADHO O=c1[nH]c2ccccc2n1C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420303542 275062448 /nfs/dbraw/zinc/06/24/48/275062448.db2.gz KPYGQJBFDLOFQX-OAHLLOKOSA-N 1 3 328.460 2.769 20 0 EFADHO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000268952525 275754767 /nfs/dbraw/zinc/75/47/67/275754767.db2.gz CPJYQMLMWSVBLV-INIZCTEOSA-N 1 3 347.503 2.573 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000353634049 276044181 /nfs/dbraw/zinc/04/41/81/276044181.db2.gz XZKHOLWCBSYXGA-OALUTQOASA-N 1 3 331.504 2.934 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000339948060 276107853 /nfs/dbraw/zinc/10/78/53/276107853.db2.gz VWKBCWXYIWKOOO-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@H]3CCC=CO3)cc2)CC1 ZINC000194216511 276196698 /nfs/dbraw/zinc/19/66/98/276196698.db2.gz ISAOMHDERWZXPJ-HXUWFJFHSA-N 1 3 329.488 2.606 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCCN3C3CC3)C2)CC1 ZINC000426118335 276198774 /nfs/dbraw/zinc/19/87/74/276198774.db2.gz XVYSRMWJKAMZBT-PKOBYXMFSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC[C@H]2C)CC1 ZINC000353039114 276203572 /nfs/dbraw/zinc/20/35/72/276203572.db2.gz OSQFKFJKOHXTEK-QZTJIDSGSA-N 1 3 331.504 2.591 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000345310436 276211892 /nfs/dbraw/zinc/21/18/92/276211892.db2.gz XOGYECMJVVKNBF-ZVXZJYCBSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000345310436 276211894 /nfs/dbraw/zinc/21/18/94/276211894.db2.gz XOGYECMJVVKNBF-ZVXZJYCBSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000345310436 276211897 /nfs/dbraw/zinc/21/18/97/276211897.db2.gz XOGYECMJVVKNBF-ZVXZJYCBSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2N2CCOCC2)[C@H](C)C1 ZINC000345170327 276217076 /nfs/dbraw/zinc/21/70/76/276217076.db2.gz BQUYWTGTGDZPDY-IEBWSBKVSA-N 1 3 331.504 2.652 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000343136492 276263824 /nfs/dbraw/zinc/26/38/24/276263824.db2.gz ZPKLZARGNNTYJH-SFHLNBCPSA-N 1 3 345.531 2.770 20 0 EFADHO CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000449332239 276300761 /nfs/dbraw/zinc/30/07/61/276300761.db2.gz CNDOWMHLQUSADF-ZAWLATJESA-N 1 3 329.488 2.526 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000266344758 276337177 /nfs/dbraw/zinc/33/71/77/276337177.db2.gz ZYBIKZJYQMUFPX-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)N(C)C)cc1 ZINC000416839450 276670135 /nfs/dbraw/zinc/67/01/35/276670135.db2.gz KABBIGJRJBYCME-QUCCMNQESA-N 1 3 346.519 2.541 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000416849220 276672356 /nfs/dbraw/zinc/67/23/56/276672356.db2.gz XLDOMWIAMUNUTD-OALUTQOASA-N 1 3 348.535 2.867 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000370008121 277036383 /nfs/dbraw/zinc/03/63/83/277036383.db2.gz NYIVQOOMTUPOPG-RBUKOAKNSA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248033156 277078032 /nfs/dbraw/zinc/07/80/32/277078032.db2.gz KPECNELXDHQIMZ-SJORKVTESA-N 1 3 331.508 2.668 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000248033156 277078033 /nfs/dbraw/zinc/07/80/33/277078033.db2.gz KPECNELXDHQIMZ-SJORKVTESA-N 1 3 331.508 2.668 20 0 EFADHO C[N@@H+]1CC[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340382728 277173498 /nfs/dbraw/zinc/17/34/98/277173498.db2.gz NYTBQEOHRXFDNW-OKYOBFRVSA-N 1 3 334.504 2.570 20 0 EFADHO C[N@H+]1CC[C@H](N[C@H](CO)C[C@H](O)C(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340382728 277173499 /nfs/dbraw/zinc/17/34/99/277173499.db2.gz NYTBQEOHRXFDNW-OKYOBFRVSA-N 1 3 334.504 2.570 20 0 EFADHO COCCOCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132280 277231830 /nfs/dbraw/zinc/23/18/30/277231830.db2.gz KDEIQCKENJLRKN-UFYCRDLUSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132280 277231832 /nfs/dbraw/zinc/23/18/32/277231832.db2.gz KDEIQCKENJLRKN-UFYCRDLUSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132280 277231833 /nfs/dbraw/zinc/23/18/33/277231833.db2.gz KDEIQCKENJLRKN-UFYCRDLUSA-N 1 3 332.488 2.540 20 0 EFADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194035880 277247783 /nfs/dbraw/zinc/24/77/83/277247783.db2.gz GOTNAAPHQVNJCD-QZTJIDSGSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1 ZINC000194035880 277247784 /nfs/dbraw/zinc/24/77/84/277247784.db2.gz GOTNAAPHQVNJCD-QZTJIDSGSA-N 1 3 340.895 2.854 20 0 EFADHO CC(C)(C)c1nc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000423027000 277274372 /nfs/dbraw/zinc/27/43/72/277274372.db2.gz QVUBLNFQSPVZCY-ARFHVFGLSA-N 1 3 337.533 2.730 20 0 EFADHO CC(C)(CO)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422968685 277304434 /nfs/dbraw/zinc/30/44/34/277304434.db2.gz RVWJIQQDVHJNOX-ZGXWSNOMSA-N 1 3 346.515 2.535 20 0 EFADHO CC(C)[C@H](CNC(=O)NC[C@@H](C)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000356147175 277893402 /nfs/dbraw/zinc/89/34/02/277893402.db2.gz BXPOLFJNMLITHI-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000437764673 278021183 /nfs/dbraw/zinc/02/11/83/278021183.db2.gz MKVOKBQHTXAUAZ-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000437764673 278021185 /nfs/dbraw/zinc/02/11/85/278021185.db2.gz MKVOKBQHTXAUAZ-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000342691693 278047885 /nfs/dbraw/zinc/04/78/85/278047885.db2.gz IRELNKAUZRLLLD-IVSAIRAKSA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)c1nc(CN(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000367624639 278071433 /nfs/dbraw/zinc/07/14/33/278071433.db2.gz WTLIKXYTBKWAFS-KRWDZBQOSA-N 1 3 336.549 2.867 20 0 EFADHO C[C@@H](CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000370765323 278221094 /nfs/dbraw/zinc/22/10/94/278221094.db2.gz CISZSFYAEINIJX-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000341505965 278335692 /nfs/dbraw/zinc/33/56/92/278335692.db2.gz TVSULNRTPRWMDU-HUUCEWRRSA-N 1 3 329.479 2.959 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000165730340 278549885 /nfs/dbraw/zinc/54/98/85/278549885.db2.gz JQZIIZOYQBLKKZ-OALUTQOASA-N 1 3 329.488 2.718 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418342915 278788701 /nfs/dbraw/zinc/78/87/01/278788701.db2.gz JAMBNSDOXQJQMH-SFHVURJKSA-N 1 3 338.540 2.674 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 ZINC000353690446 278804523 /nfs/dbraw/zinc/80/45/23/278804523.db2.gz DIBLLEPQASNVNF-APWZRJJASA-N 1 3 346.519 2.851 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263281 279007153 /nfs/dbraw/zinc/00/71/53/279007153.db2.gz OOSCGBIALXXTAH-OGWHTMIXSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346263281 279007154 /nfs/dbraw/zinc/00/71/54/279007154.db2.gz OOSCGBIALXXTAH-OGWHTMIXSA-N 1 3 333.520 2.582 20 0 EFADHO CCN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000444156451 279008540 /nfs/dbraw/zinc/00/85/40/279008540.db2.gz BJRUQZZTNXZPEX-KRQVXIAISA-N 1 3 341.499 2.670 20 0 EFADHO Cc1cnn(CC[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)c1 ZINC000420310140 279033079 /nfs/dbraw/zinc/03/30/79/279033079.db2.gz MGBREBPLRHHZTK-VQTJNVASSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CC[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)c1 ZINC000420310140 279033083 /nfs/dbraw/zinc/03/30/83/279033083.db2.gz MGBREBPLRHHZTK-VQTJNVASSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CCN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000420310140 279033085 /nfs/dbraw/zinc/03/30/85/279033085.db2.gz MGBREBPLRHHZTK-VQTJNVASSA-N 1 3 326.488 2.864 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420347055 279080425 /nfs/dbraw/zinc/08/04/25/279080425.db2.gz ZWYGFWCJRZNSOZ-AQNXPRMDSA-N 1 3 343.515 2.918 20 0 EFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000340599147 279092724 /nfs/dbraw/zinc/09/27/24/279092724.db2.gz DBUPRNXBJDPSSZ-KZNAEPCWSA-N 1 3 337.552 2.933 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H]1CCCOc2ccc(OC)cc21 ZINC000349664475 279109325 /nfs/dbraw/zinc/10/93/25/279109325.db2.gz LTCXVLPGIUXARD-SFHVURJKSA-N 1 3 336.476 2.857 20 0 EFADHO CCN1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)C1 ZINC000431802474 279133729 /nfs/dbraw/zinc/13/37/29/279133729.db2.gz XFPQIPITZGDWQV-SQNIBIBYSA-N 1 3 338.540 2.671 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000416849286 279146196 /nfs/dbraw/zinc/14/61/96/279146196.db2.gz XUOSYOPZAWDJNJ-OALUTQOASA-N 1 3 346.519 2.901 20 0 EFADHO CCN(CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422792263 279184994 /nfs/dbraw/zinc/18/49/94/279184994.db2.gz VYKYCUVYDWKLLV-SLFFLAALSA-N 1 3 331.504 2.650 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003513 279210311 /nfs/dbraw/zinc/21/03/11/279210311.db2.gz BNKIXHDYEJBLMT-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1)C1CC1 ZINC000429150513 279234831 /nfs/dbraw/zinc/23/48/31/279234831.db2.gz OTEZKDPYCZPWJO-MAUKXSAKSA-N 1 3 329.488 2.870 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000431063032 279246675 /nfs/dbraw/zinc/24/66/75/279246675.db2.gz WPTXMKBIMKLDNL-IZBJGVDFSA-N 1 3 343.515 2.964 20 0 EFADHO CC(C)N(C(=O)CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420346286 279280191 /nfs/dbraw/zinc/28/01/91/279280191.db2.gz YADDXLRBLWZGEM-ROUUACIJSA-N 1 3 329.488 2.750 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000188254163 279304845 /nfs/dbraw/zinc/30/48/45/279304845.db2.gz UGDWBYWUJPRDJZ-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(C)C1CC1 ZINC000105135140 279334571 /nfs/dbraw/zinc/33/45/71/279334571.db2.gz YJGLPSGVDSLILA-BRWVUGGUSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)CN1CCCC1 ZINC000267251558 279351246 /nfs/dbraw/zinc/35/12/46/279351246.db2.gz OHOXLZRGKJLEDK-SBHAEUEKSA-N 1 3 345.531 2.770 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000155601125 279370340 /nfs/dbraw/zinc/37/03/40/279370340.db2.gz OLIGRAWYLHMXID-IEBWSBKVSA-N 1 3 331.504 2.824 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C3(C[NH3+])CCCC3)c(C)c2)CC1 ZINC000327006912 279374752 /nfs/dbraw/zinc/37/47/52/279374752.db2.gz FEWVBOGDORYCFU-UHFFFAOYSA-N 1 3 344.503 2.595 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000344693495 279375525 /nfs/dbraw/zinc/37/55/25/279375525.db2.gz KPEGSWYDFRSEIK-RBUKOAKNSA-N 1 3 331.504 2.732 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)[NH+](CC)CC ZINC000359674214 280067106 /nfs/dbraw/zinc/06/71/06/280067106.db2.gz DMEUJGZWJWLCIS-MOPGFXCFSA-N 1 3 331.504 2.840 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422807645 288212776 /nfs/dbraw/zinc/21/27/76/288212776.db2.gz KAGUCVPYZXYMJN-HRQSHJORSA-N 1 3 345.531 2.903 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000354878643 280250562 /nfs/dbraw/zinc/25/05/62/280250562.db2.gz PFXPEOCWCVNJAO-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000354878643 280250564 /nfs/dbraw/zinc/25/05/64/280250564.db2.gz PFXPEOCWCVNJAO-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358862843 280251494 /nfs/dbraw/zinc/25/14/94/280251494.db2.gz YGEYJGBOPUQFHV-MOPGFXCFSA-N 1 3 349.494 2.741 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c2ccccc2)CC1 ZINC000342718810 281837392 /nfs/dbraw/zinc/83/73/92/281837392.db2.gz FROYNVVSTBAUPH-YSIASYRMSA-N 1 3 343.515 2.964 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C)cc1 ZINC000416846589 288548299 /nfs/dbraw/zinc/54/82/99/288548299.db2.gz ULIYWUQBKGTQEP-ZWKOTPCHSA-N 1 3 334.508 2.524 20 0 EFADHO CN1CCC2(CCCN2C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416188265 289274596 /nfs/dbraw/zinc/27/45/96/289274596.db2.gz IAJPRWXEYZJPAI-SFHVURJKSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448344 289299859 /nfs/dbraw/zinc/29/98/59/289299859.db2.gz OACXHVFRUMVXII-FSNPWBFUSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000246448344 289299862 /nfs/dbraw/zinc/29/98/62/289299862.db2.gz OACXHVFRUMVXII-FSNPWBFUSA-N 1 3 333.520 2.723 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356232979 289562692 /nfs/dbraw/zinc/56/26/92/289562692.db2.gz HBFOJKAWVUIUQJ-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000077756699 292769418 /nfs/dbraw/zinc/76/94/18/292769418.db2.gz TWJILHNZYVHAQF-SFHVURJKSA-N 1 3 334.508 2.519 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343136594 290015464 /nfs/dbraw/zinc/01/54/64/290015464.db2.gz LCEBOVOWUHQZTJ-RAUXBKROSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000343136594 290015467 /nfs/dbraw/zinc/01/54/67/290015467.db2.gz LCEBOVOWUHQZTJ-RAUXBKROSA-N 1 3 331.504 2.521 20 0 EFADHO Cc1cnn(CC[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)c1 ZINC000420310138 293000838 /nfs/dbraw/zinc/00/08/38/293000838.db2.gz MGBREBPLRHHZTK-PMACEKPBSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CC[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)c1 ZINC000420310138 293000843 /nfs/dbraw/zinc/00/08/43/293000843.db2.gz MGBREBPLRHHZTK-PMACEKPBSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1cnn(CCN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000420310138 293000847 /nfs/dbraw/zinc/00/08/47/293000847.db2.gz MGBREBPLRHHZTK-PMACEKPBSA-N 1 3 326.488 2.864 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127736648 293079148 /nfs/dbraw/zinc/07/91/48/293079148.db2.gz BDQWBLVVZAQMCQ-DNVCBOLYSA-N 1 3 330.451 2.874 20 0 EFADHO CC[N@H+]1CC[C@@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000127736648 293079151 /nfs/dbraw/zinc/07/91/51/293079151.db2.gz BDQWBLVVZAQMCQ-DNVCBOLYSA-N 1 3 330.451 2.874 20 0 EFADHO Cc1cc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc(C)c1F ZINC000128214739 293095490 /nfs/dbraw/zinc/09/54/90/293095490.db2.gz AODFMVCAOJTTPB-HOTGVXAUSA-N 1 3 335.467 2.681 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271364 293128889 /nfs/dbraw/zinc/12/88/89/293128889.db2.gz SYLDYYCEXHZECS-MAUKXSAKSA-N 1 3 325.497 2.754 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1 ZINC000129271364 293128890 /nfs/dbraw/zinc/12/88/90/293128890.db2.gz SYLDYYCEXHZECS-MAUKXSAKSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1 ZINC000129858757 293145879 /nfs/dbraw/zinc/14/58/79/293145879.db2.gz NWUYGZTVYREPRV-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1ccc(OC)cc1 ZINC000129858757 293145881 /nfs/dbraw/zinc/14/58/81/293145881.db2.gz NWUYGZTVYREPRV-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CCC(CC)(CNC(=O)NCCN(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000133677012 293265012 /nfs/dbraw/zinc/26/50/12/293265012.db2.gz SGDGPKUOHWHHRP-INIZCTEOSA-N 1 3 334.508 2.757 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+]CC[C@@H](O)C(C)C)CC1 ZINC000152280234 293326661 /nfs/dbraw/zinc/32/66/61/293326661.db2.gz XYEBGWYBICLQPK-HXUWFJFHSA-N 1 3 333.520 2.715 20 0 EFADHO COCCN(C)CCC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760593 293392536 /nfs/dbraw/zinc/39/25/36/293392536.db2.gz WQLVXUZDYJLGAN-MRXNPFEDSA-N 1 3 330.476 2.800 20 0 EFADHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760593 293392537 /nfs/dbraw/zinc/39/25/37/293392537.db2.gz WQLVXUZDYJLGAN-MRXNPFEDSA-N 1 3 330.476 2.800 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000153760593 293392541 /nfs/dbraw/zinc/39/25/41/293392541.db2.gz WQLVXUZDYJLGAN-MRXNPFEDSA-N 1 3 330.476 2.800 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCCN1CCN(CCO)CC1 ZINC000153797398 293395247 /nfs/dbraw/zinc/39/52/47/293395247.db2.gz AYKQGFBQAAZVQO-UYAOXDASSA-N 1 3 345.531 2.523 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cc1OC ZINC000154352251 293421726 /nfs/dbraw/zinc/42/17/26/293421726.db2.gz XKKBJZCDIOZCEG-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000155743477 293485055 /nfs/dbraw/zinc/48/50/55/293485055.db2.gz AWHVLVIOAVHUJB-SJORKVTESA-N 1 3 347.503 2.525 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000158631662 293580310 /nfs/dbraw/zinc/58/03/10/293580310.db2.gz QWTWQIWALOGORL-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000290115410 294002821 /nfs/dbraw/zinc/00/28/21/294002821.db2.gz IXNGUALLKBXIPO-UXLLHSPISA-N 1 3 335.517 2.635 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000290269823 294043370 /nfs/dbraw/zinc/04/33/70/294043370.db2.gz WAHHLGMETBWERX-QRVBRYPASA-N 1 3 329.488 2.574 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000290347805 294063249 /nfs/dbraw/zinc/06/32/49/294063249.db2.gz LPZUNYJLCXSWRM-NXHRZFHOSA-N 1 3 344.455 2.527 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000290347805 294063251 /nfs/dbraw/zinc/06/32/51/294063251.db2.gz LPZUNYJLCXSWRM-NXHRZFHOSA-N 1 3 344.455 2.527 20 0 EFADHO COc1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1OC ZINC000290354434 294065346 /nfs/dbraw/zinc/06/53/46/294065346.db2.gz GHOWRSQEQOMKGI-MRXNPFEDSA-N 1 3 348.487 2.876 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccncc2)n1 ZINC000290375329 294070165 /nfs/dbraw/zinc/07/01/65/294070165.db2.gz HRWMKEVDFONNRX-GOSISDBHSA-N 1 3 339.487 2.646 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)c(-c2ccncc2)n1 ZINC000290375329 294070169 /nfs/dbraw/zinc/07/01/69/294070169.db2.gz HRWMKEVDFONNRX-GOSISDBHSA-N 1 3 339.487 2.646 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1CC(C)(C)OC1(C)C ZINC000290447075 294089507 /nfs/dbraw/zinc/08/95/07/294089507.db2.gz VUUOTQDZTWYFBX-QGZVFWFLSA-N 1 3 335.492 2.848 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000290505887 294105550 /nfs/dbraw/zinc/10/55/50/294105550.db2.gz SUXPOEIBQDWAEL-UHFFFAOYSA-N 1 3 345.491 2.528 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000290505887 294105553 /nfs/dbraw/zinc/10/55/53/294105553.db2.gz SUXPOEIBQDWAEL-UHFFFAOYSA-N 1 3 345.491 2.528 20 0 EFADHO C[C@@H](O)c1ncc(C[NH2+]CC2CCN(c3ccncc3)CC2)s1 ZINC000290546731 294116966 /nfs/dbraw/zinc/11/69/66/294116966.db2.gz YWLGSGFSXGBGDN-CYBMUJFWSA-N 1 3 332.473 2.598 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290549028 294117777 /nfs/dbraw/zinc/11/77/77/294117777.db2.gz RSQZCVJVALUKKH-MRXNPFEDSA-N 1 3 348.487 2.876 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290563512 294121345 /nfs/dbraw/zinc/12/13/45/294121345.db2.gz SLQQOXLQWDCMBN-KVSKMBFKSA-N 1 3 346.471 2.543 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]3CN(C)CC[C@H]32)cc1 ZINC000290563512 294121347 /nfs/dbraw/zinc/12/13/47/294121347.db2.gz SLQQOXLQWDCMBN-KVSKMBFKSA-N 1 3 346.471 2.543 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000290632387 294141347 /nfs/dbraw/zinc/14/13/47/294141347.db2.gz YAHLJJQBECHMKJ-FUHWJXTLSA-N 1 3 348.487 2.627 20 0 EFADHO COC(=O)COc1c(C)cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C ZINC000290632387 294141351 /nfs/dbraw/zinc/14/13/51/294141351.db2.gz YAHLJJQBECHMKJ-FUHWJXTLSA-N 1 3 348.487 2.627 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290648567 294145912 /nfs/dbraw/zinc/14/59/12/294145912.db2.gz IPCUEDIGKSECNK-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000290648567 294145914 /nfs/dbraw/zinc/14/59/14/294145914.db2.gz IPCUEDIGKSECNK-INIZCTEOSA-N 1 3 334.508 2.668 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1nccc2ccccc21 ZINC000290670102 294152132 /nfs/dbraw/zinc/15/21/32/294152132.db2.gz LDWBESUBFYJCQS-INIZCTEOSA-N 1 3 326.488 2.911 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](COC)c1cccc(Cl)c1 ZINC000290762157 294177787 /nfs/dbraw/zinc/17/77/87/294177787.db2.gz RPBQZGTZQRBGSS-IAGOWNOFSA-N 1 3 328.884 2.974 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000290825577 294196069 /nfs/dbraw/zinc/19/60/69/294196069.db2.gz HKZFIYGQLAQAPD-MAUKXSAKSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000290825577 294196072 /nfs/dbraw/zinc/19/60/72/294196072.db2.gz HKZFIYGQLAQAPD-MAUKXSAKSA-N 1 3 335.455 2.958 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290943861 294226773 /nfs/dbraw/zinc/22/67/73/294226773.db2.gz ORLNPXKDXCXQMW-UAGQMJEPSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290943861 294226776 /nfs/dbraw/zinc/22/67/76/294226776.db2.gz ORLNPXKDXCXQMW-UAGQMJEPSA-N 1 3 332.444 2.527 20 0 EFADHO Oc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C[C@H]3CCOC3)CC1)CCC2 ZINC000291149181 294290683 /nfs/dbraw/zinc/29/06/83/294290683.db2.gz IGQCIZYZWRDDGE-QRWLVFNGSA-N 1 3 330.472 2.860 20 0 EFADHO C[C@@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291204554 294310020 /nfs/dbraw/zinc/31/00/20/294310020.db2.gz KCNLSPIRDHJSJE-NVXWUHKLSA-N 1 3 330.476 2.741 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317040 294346295 /nfs/dbraw/zinc/34/62/95/294346295.db2.gz YKDINSQWNIKCBY-VYDXJSESSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCNC2=O)cc1 ZINC000291317040 294346298 /nfs/dbraw/zinc/34/62/98/294346298.db2.gz YKDINSQWNIKCBY-VYDXJSESSA-N 1 3 330.476 2.740 20 0 EFADHO CC[NH+](CC)CCCCNC(=O)C1C[C@H](c2ccccc2)OC1=O ZINC000291409147 294373386 /nfs/dbraw/zinc/37/33/86/294373386.db2.gz AGTMIVSMYOHQCH-IAGOWNOFSA-N 1 3 332.444 2.529 20 0 EFADHO c1cc(N2CCC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC2)ccn1 ZINC000291484288 294393942 /nfs/dbraw/zinc/39/39/42/294393942.db2.gz RPZMPVQBMIKHQW-WMZOPIPTSA-N 1 3 333.501 2.695 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1)CN(C)C ZINC000293720521 295035711 /nfs/dbraw/zinc/03/57/11/295035711.db2.gz PPAQTNFWQJBHPN-IAGOWNOFSA-N 1 3 333.476 2.827 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803037 295052840 /nfs/dbraw/zinc/05/28/40/295052840.db2.gz AEGGRIOCAUASGW-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 ZINC000293803037 295052842 /nfs/dbraw/zinc/05/28/42/295052842.db2.gz AEGGRIOCAUASGW-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000293881374 295071063 /nfs/dbraw/zinc/07/10/63/295071063.db2.gz UDZISAXHZIFMGO-DBVUQKKJSA-N 1 3 332.463 2.678 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000293881374 295071066 /nfs/dbraw/zinc/07/10/66/295071066.db2.gz UDZISAXHZIFMGO-DBVUQKKJSA-N 1 3 332.463 2.678 20 0 EFADHO CN(C)CCOc1ccccc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293924841 295080506 /nfs/dbraw/zinc/08/05/06/295080506.db2.gz MICSZCPCVZFZPE-UHFFFAOYSA-N 1 3 347.503 2.623 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccnn2CCN(C)C)cc1 ZINC000293991027 295094760 /nfs/dbraw/zinc/09/47/60/295094760.db2.gz HCGLJFJDJYNKEF-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO COc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1OC ZINC000414773199 295129357 /nfs/dbraw/zinc/12/93/57/295129357.db2.gz DDKSTMZVAYQVRO-GJZGRUSLSA-N 1 3 334.460 2.534 20 0 EFADHO COc1ccc(Cl)cc1C1(CN[C@H]2CCC[C@H]2[NH3+])CCOCC1 ZINC000422907330 295144374 /nfs/dbraw/zinc/14/43/74/295144374.db2.gz WYRBFYDRMMBBMV-CVEARBPZSA-N 1 3 338.879 2.866 20 0 EFADHO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294343925 295150609 /nfs/dbraw/zinc/15/06/09/295150609.db2.gz YRJBJSQITZPFHD-CEXJFXJFSA-N 1 3 335.517 2.720 20 0 EFADHO C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294611747 295194153 /nfs/dbraw/zinc/19/41/53/295194153.db2.gz OEYBDTBKGXOPAR-KNBMTAEXSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H](NC[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000294611747 295194155 /nfs/dbraw/zinc/19/41/55/295194155.db2.gz OEYBDTBKGXOPAR-KNBMTAEXSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)[C@H]1CCCN(C2CCC2)C1 ZINC000294611747 295194156 /nfs/dbraw/zinc/19/41/56/295194156.db2.gz OEYBDTBKGXOPAR-KNBMTAEXSA-N 1 3 334.479 2.972 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCN(C)CC23CCCCC3)cc1 ZINC000420323064 295212429 /nfs/dbraw/zinc/21/24/29/295212429.db2.gz TVLSGNALYAQDPO-SFHVURJKSA-N 1 3 331.504 2.688 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000352502944 295239782 /nfs/dbraw/zinc/23/97/82/295239782.db2.gz AJRHRLKZHVSZRN-IEBWSBKVSA-N 1 3 329.488 2.774 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)N2CCCC2)cc1 ZINC000422760508 295241820 /nfs/dbraw/zinc/24/18/20/295241820.db2.gz QEPBPAAWVQSAJT-DBVUQKKJSA-N 1 3 331.504 2.810 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509711 295242003 /nfs/dbraw/zinc/24/20/03/295242003.db2.gz RVSCFNDTEOAKOC-AHCXZYCDSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1OC ZINC000089509711 295242005 /nfs/dbraw/zinc/24/20/05/295242005.db2.gz RVSCFNDTEOAKOC-AHCXZYCDSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)N(C)C)cc1OC ZINC000089509711 295242008 /nfs/dbraw/zinc/24/20/08/295242008.db2.gz RVSCFNDTEOAKOC-AHCXZYCDSA-N 1 3 349.519 2.625 20 0 EFADHO Cc1nccnc1CC[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000294918950 295245639 /nfs/dbraw/zinc/24/56/39/295245639.db2.gz GSWSWKWQTQOUTE-OAHLLOKOSA-N 1 3 328.460 2.619 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C)[NH2+]C1CC1 ZINC000294988169 295254373 /nfs/dbraw/zinc/25/43/73/295254373.db2.gz HJNZYTBMCUJQKB-AWEZNQCLSA-N 1 3 333.501 2.623 20 0 EFADHO CCN(CCCO)Cc1cc(Cl)cc(C[N@H+](CC)CCCO)c1 ZINC000295032320 295259673 /nfs/dbraw/zinc/25/96/73/295259673.db2.gz NEMPJJHRDFWALF-UHFFFAOYSA-N 1 3 342.911 2.749 20 0 EFADHO CCN(CCCO)Cc1cc(Cl)cc(C[N@@H+](CC)CCCO)c1 ZINC000295032320 295259674 /nfs/dbraw/zinc/25/96/74/295259674.db2.gz NEMPJJHRDFWALF-UHFFFAOYSA-N 1 3 342.911 2.749 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422926180 295267291 /nfs/dbraw/zinc/26/72/91/295267291.db2.gz CQCBRJUSPGFUBD-MOPGFXCFSA-N 1 3 329.488 2.920 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000295189045 295279894 /nfs/dbraw/zinc/27/98/94/295279894.db2.gz NTYHZQRGQHGDHE-SCTDSRPQSA-N 1 3 331.504 2.886 20 0 EFADHO COCC1CCC([NH2+]CCc2ccc(OCCN(C)C)cc2)CC1 ZINC000295207528 295282480 /nfs/dbraw/zinc/28/24/80/295282480.db2.gz PRWVBMCPNRIUQH-UHFFFAOYSA-N 1 3 334.504 2.964 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000295275347 295291744 /nfs/dbraw/zinc/29/17/44/295291744.db2.gz VXZIJCCHUNLONE-GOSISDBHSA-N 1 3 332.488 2.861 20 0 EFADHO CS[C@H]1CN(CCN(C)Cc2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000295758662 295371914 /nfs/dbraw/zinc/37/19/14/295371914.db2.gz ORGAZPWLTBAMBC-OALUTQOASA-N 1 3 333.545 2.630 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@H]1CCOC2(CCC2)C1 ZINC000295938217 295399621 /nfs/dbraw/zinc/39/96/21/295399621.db2.gz GCHUWCGVMRMACV-KRWDZBQOSA-N 1 3 333.476 2.603 20 0 EFADHO O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C12CCCN1CCC2 ZINC000377926951 295569054 /nfs/dbraw/zinc/56/90/54/295569054.db2.gz VCEDWLCOXMWKLA-SFHVURJKSA-N 1 3 333.520 2.729 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000361846998 295621442 /nfs/dbraw/zinc/62/14/42/295621442.db2.gz AGGTYYRQIBLRJT-LJQANCHMSA-N 1 3 348.535 2.663 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000350895602 298269510 /nfs/dbraw/zinc/26/95/10/298269510.db2.gz FKISTUHTYTYFQR-VQIMIIECSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)N1CCC(C)CC1 ZINC000352559386 298724591 /nfs/dbraw/zinc/72/45/91/298724591.db2.gz IBAFFXCLDASWCJ-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@@H](N2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000431023542 301312480 /nfs/dbraw/zinc/31/24/80/301312480.db2.gz RMMWZDGBUZHQDL-GOSISDBHSA-N 1 3 345.462 2.705 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)N2CCCC2)cc1 ZINC000237644941 301795580 /nfs/dbraw/zinc/79/55/80/301795580.db2.gz XYJAGQAYNFZXAM-OALUTQOASA-N 1 3 341.499 2.638 20 0 EFADHO NCCC[N@H+](CCC(=O)NC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352512754 303377229 /nfs/dbraw/zinc/37/72/29/303377229.db2.gz ZZOIFXGGNZDYPZ-UHFFFAOYSA-N 1 3 346.475 2.566 20 0 EFADHO NCCC[N@@H+](CCC(=O)NC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352512754 303377232 /nfs/dbraw/zinc/37/72/32/303377232.db2.gz ZZOIFXGGNZDYPZ-UHFFFAOYSA-N 1 3 346.475 2.566 20 0 EFADHO [NH3+]CCCN(CCC(=O)NC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352512754 303377233 /nfs/dbraw/zinc/37/72/33/303377233.db2.gz ZZOIFXGGNZDYPZ-UHFFFAOYSA-N 1 3 346.475 2.566 20 0 EFADHO NC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000238012405 303390964 /nfs/dbraw/zinc/39/09/64/303390964.db2.gz FYTBMVSGWLKJRD-AZUAARDMSA-N 1 3 343.515 2.844 20 0 EFADHO [NH3+]C[C@@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000417041015 303392819 /nfs/dbraw/zinc/39/28/19/303392819.db2.gz WBWMISOYHXOPMW-MOPGFXCFSA-N 1 3 344.503 2.640 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000364464348 303642617 /nfs/dbraw/zinc/64/26/17/303642617.db2.gz WLYGTPMQZJEXQI-MJGOQNOKSA-N 1 3 329.488 2.720 20 0 EFADHO c1cnc2c(c1)cccc2CCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422818183 304860304 /nfs/dbraw/zinc/86/03/04/304860304.db2.gz JOWMHOYQGBFJFN-GUDVDZBRSA-N 1 3 325.456 2.524 20 0 EFADHO CCN1CCN(c2cccc(NC3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000297341209 310883271 /nfs/dbraw/zinc/88/32/71/310883271.db2.gz DOYNBZUGARANCR-UHFFFAOYSA-N 1 3 328.504 2.867 20 0 EFADHO CN(CCC[NH2+]C1CCN(c2ccncc2)CC1)CC(F)(F)F ZINC000298395159 310985575 /nfs/dbraw/zinc/98/55/75/310985575.db2.gz LPAMLUYJTJGFQH-UHFFFAOYSA-N 1 3 330.398 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000299352307 311075399 /nfs/dbraw/zinc/07/53/99/311075399.db2.gz RCAWLKINXUIUFQ-QYZOEREBSA-N 1 3 344.503 2.524 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)N(C)C)cc1 ZINC000299352307 311075401 /nfs/dbraw/zinc/07/54/01/311075401.db2.gz RCAWLKINXUIUFQ-QYZOEREBSA-N 1 3 344.503 2.524 20 0 EFADHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C(N)=O)cc2)c1 ZINC000299364541 311076981 /nfs/dbraw/zinc/07/69/81/311076981.db2.gz WJQBUQVNHYNIDQ-UHFFFAOYSA-N 1 3 325.456 2.916 20 0 EFADHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C(N)=O)cc2)c1 ZINC000299364541 311076982 /nfs/dbraw/zinc/07/69/82/311076982.db2.gz WJQBUQVNHYNIDQ-UHFFFAOYSA-N 1 3 325.456 2.916 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN(C)CCOC)cc1 ZINC000299670378 311109226 /nfs/dbraw/zinc/10/92/26/311109226.db2.gz PCQUJVVRRFIIMP-UHFFFAOYSA-N 1 3 349.519 2.617 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCN(C)CCOC)cc1 ZINC000299670378 311109227 /nfs/dbraw/zinc/10/92/27/311109227.db2.gz PCQUJVVRRFIIMP-UHFFFAOYSA-N 1 3 349.519 2.617 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000302939617 311208608 /nfs/dbraw/zinc/20/86/08/311208608.db2.gz BGMYVLUGJQDZJA-PKOBYXMFSA-N 1 3 340.556 2.726 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000302939615 311208831 /nfs/dbraw/zinc/20/88/31/311208831.db2.gz BGMYVLUGJQDZJA-IEBWSBKVSA-N 1 3 340.556 2.726 20 0 EFADHO Clc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCCO2 ZINC000324404912 311241614 /nfs/dbraw/zinc/24/16/14/311241614.db2.gz CYNROEOCRXCCDY-GASCZTMLSA-N 1 3 336.863 2.933 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000327524186 311245386 /nfs/dbraw/zinc/24/53/86/311245386.db2.gz FDAITXCUEYJOKB-VXKWHMMOSA-N 1 3 338.495 2.872 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(Cc2ccccc2)CC1 ZINC000327524186 311245388 /nfs/dbraw/zinc/24/53/88/311245388.db2.gz FDAITXCUEYJOKB-VXKWHMMOSA-N 1 3 338.495 2.872 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000333107870 311568768 /nfs/dbraw/zinc/56/87/68/311568768.db2.gz FXRKDOHVHLGLMW-UYAOXDASSA-N 1 3 325.456 2.953 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333158109 311575606 /nfs/dbraw/zinc/57/56/06/311575606.db2.gz NJFLMMTZDOPESS-RBUKOAKNSA-N 1 3 348.535 2.973 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnc4ccccc4c3)CC2)C1 ZINC000333199813 311581573 /nfs/dbraw/zinc/58/15/73/311581573.db2.gz XJBYBGSSDKTFJA-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000346692882 311737587 /nfs/dbraw/zinc/73/75/87/311737587.db2.gz JNKTXYJIYMMJRY-UHFFFAOYSA-N 1 3 346.393 2.958 20 0 EFADHO Cc1cccc2c1ncc(C)c2NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000360699672 311923041 /nfs/dbraw/zinc/92/30/41/311923041.db2.gz YXKUILUGRMYVHQ-QGZVFWFLSA-N 1 3 327.472 2.778 20 0 EFADHO N[C@H]1CCC[C@@H]([NH2+]CCCCCNC(=O)OCc2ccccc2)C1 ZINC000397821407 311961441 /nfs/dbraw/zinc/96/14/41/311961441.db2.gz DZEPZXGMSVBPHM-ZWKOTPCHSA-N 1 3 333.476 2.943 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+][C@H]3CCCNCC3)C[C@H]2C1 ZINC000401139108 311971401 /nfs/dbraw/zinc/97/14/01/311971401.db2.gz XIXXSYZAEISDNV-QAETUUGQSA-N 1 3 337.508 2.754 20 0 EFADHO COc1cc(Br)c(CN[C@@H](C)CCCC[NH3+])cc1O ZINC000415017509 312077875 /nfs/dbraw/zinc/07/78/75/312077875.db2.gz SDGNUPCWYKVKQR-JTQLQIEISA-N 1 3 331.254 2.770 20 0 EFADHO CC(C)(C)CC[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414560680 312051101 /nfs/dbraw/zinc/05/11/01/312051101.db2.gz XMDSPOQGIGPAGZ-UHFFFAOYSA-N 1 3 331.504 2.910 20 0 EFADHO CCCOc1ccc(CN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000414776080 312052737 /nfs/dbraw/zinc/05/27/37/312052737.db2.gz CYJHGMXYCZDOEI-XLIONFOSSA-N 1 3 348.487 2.812 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NC[C@H]1CCC[NH2+]C1 ZINC000414821741 312054084 /nfs/dbraw/zinc/05/40/84/312054084.db2.gz BYECSAWBPAJKMR-GJZGRUSLSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCNC1 ZINC000414821741 312054087 /nfs/dbraw/zinc/05/40/87/312054087.db2.gz BYECSAWBPAJKMR-GJZGRUSLSA-N 1 3 337.895 2.666 20 0 EFADHO Cn1c(CNCC[C@H]2CC[NH2+]C2)nc2cc(C(F)(F)F)ccc21 ZINC000414835919 312056247 /nfs/dbraw/zinc/05/62/47/312056247.db2.gz SCRBVOWPPNCOAQ-LLVKDONJSA-N 1 3 326.366 2.681 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000414853137 312058556 /nfs/dbraw/zinc/05/85/56/312058556.db2.gz RWWGOZZZNAJNSB-RDTXWAMCSA-N 1 3 333.476 2.910 20 0 EFADHO C[C@@]1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCNC1 ZINC000414918259 312062701 /nfs/dbraw/zinc/06/27/01/312062701.db2.gz UBFBGYMQGSEAHA-LJQANCHMSA-N 1 3 349.906 2.924 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414940960 312067898 /nfs/dbraw/zinc/06/78/98/312067898.db2.gz CDAPODXLMOMHKK-IIAWOOMASA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000414940960 312067899 /nfs/dbraw/zinc/06/78/99/312067899.db2.gz CDAPODXLMOMHKK-IIAWOOMASA-N 1 3 337.895 2.807 20 0 EFADHO COCC1(CNCc2cc(C(F)(F)F)ccc2F)CC[NH2+]CC1 ZINC000414969053 312068709 /nfs/dbraw/zinc/06/87/09/312068709.db2.gz GJLFUSLXBQWWTI-UHFFFAOYSA-N 1 3 334.357 2.950 20 0 EFADHO CC[C@H](N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414990948 312072261 /nfs/dbraw/zinc/07/22/61/312072261.db2.gz PQCLCTCKOMGRCX-AWEZNQCLSA-N 1 3 340.309 2.740 20 0 EFADHO CC[C@H]([NH3+])CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414990948 312072263 /nfs/dbraw/zinc/07/22/63/312072263.db2.gz PQCLCTCKOMGRCX-AWEZNQCLSA-N 1 3 340.309 2.740 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000414993324 312072850 /nfs/dbraw/zinc/07/28/50/312072850.db2.gz CMOYMOZFCTYLDL-NEPJUHHUSA-N 1 3 337.830 2.667 20 0 EFADHO [NH3+][C@H]1CCC[C@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000414993329 312073071 /nfs/dbraw/zinc/07/30/71/312073071.db2.gz CMOYMOZFCTYLDL-RYUDHWBXSA-N 1 3 337.830 2.667 20 0 EFADHO CCS(=O)(=O)c1c(Cl)cccc1CNC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415003671 312075807 /nfs/dbraw/zinc/07/58/07/312075807.db2.gz NNAXMGHLBIDUGP-GXTWGEPZSA-N 1 3 344.908 2.741 20 0 EFADHO COc1cc(Br)c(CNC[C@@H]2CCC[C@@H]([NH3+])C2)cc1O ZINC000415011585 312077305 /nfs/dbraw/zinc/07/73/05/312077305.db2.gz WGSLARNTIIKAFT-ZYHUDNBSSA-N 1 3 343.265 2.770 20 0 EFADHO C[C@@H](C[NH2+]C[C@@H]1CNCCCO1)c1cccc(Br)c1 ZINC000415046193 312082919 /nfs/dbraw/zinc/08/29/19/312082919.db2.gz UMXBZHNVBTUEJT-WFASDCNBSA-N 1 3 327.266 2.521 20 0 EFADHO [NH3+]C[C@H]1CC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000415046362 312083036 /nfs/dbraw/zinc/08/30/36/312083036.db2.gz VBMVSOJLQQDYLY-WDEREUQCSA-N 1 3 340.258 2.791 20 0 EFADHO COc1cc(Br)c(CN[C@H]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000415050785 312083922 /nfs/dbraw/zinc/08/39/22/312083922.db2.gz YSBDJFIQPHRTKQ-MNOVXSKESA-N 1 3 343.265 2.683 20 0 EFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415076037 312088615 /nfs/dbraw/zinc/08/86/15/312088615.db2.gz CENRIUBRQBVQTC-GVDBMIGSSA-N 1 3 348.487 2.765 20 0 EFADHO COc1ccc([C@H](CNC[C@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000415079294 312089155 /nfs/dbraw/zinc/08/91/55/312089155.db2.gz HUHCMPMWAWPMPH-PXNSSMCTSA-N 1 3 331.504 2.811 20 0 EFADHO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1 ZINC000415081320 312089535 /nfs/dbraw/zinc/08/95/35/312089535.db2.gz MQXJIOXELVYCOZ-KSSFIOAISA-N 1 3 335.467 2.700 20 0 EFADHO CCc1noc(-c2ccc(CCN[C@@H](C)C[C@H]3CCC[NH2+]3)cc2)n1 ZINC000415080820 312089603 /nfs/dbraw/zinc/08/96/03/312089603.db2.gz JUCWNNZXLXRCAM-WMLDXEAASA-N 1 3 328.460 2.962 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCN1C(=O)COc2ccccc21 ZINC000415082437 312089961 /nfs/dbraw/zinc/08/99/61/312089961.db2.gz OISRQVHCTABBHB-SJORKVTESA-N 1 3 345.487 2.703 20 0 EFADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415083870 312090516 /nfs/dbraw/zinc/09/05/16/312090516.db2.gz FXJYYCZHZHUUCK-ZSYWTGECSA-N 1 3 333.520 2.678 20 0 EFADHO CCOc1ccc(C2(C[NH2+][C@H]3CCCNCC3)CCOCC2)cc1 ZINC000415086008 312090781 /nfs/dbraw/zinc/09/07/81/312090781.db2.gz JCRMIHZJRFFNCH-SFHVURJKSA-N 1 3 332.488 2.865 20 0 EFADHO CCOc1ccc(C2(CN[C@H]3CCC[NH2+]CC3)CCOCC2)cc1 ZINC000415086008 312090783 /nfs/dbraw/zinc/09/07/83/312090783.db2.gz JCRMIHZJRFFNCH-SFHVURJKSA-N 1 3 332.488 2.865 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCCNC2)CC1)c1ccccc1 ZINC000415099216 312093850 /nfs/dbraw/zinc/09/38/50/312093850.db2.gz GIYSCNLSWBGTOH-PXNSSMCTSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100942 312094175 /nfs/dbraw/zinc/09/41/75/312094175.db2.gz AYINIUFVMWVLMN-GUYCJALGSA-N 1 3 333.867 2.831 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100942 312094177 /nfs/dbraw/zinc/09/41/77/312094177.db2.gz AYINIUFVMWVLMN-GUYCJALGSA-N 1 3 333.867 2.831 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100943 312094188 /nfs/dbraw/zinc/09/41/88/312094188.db2.gz AYINIUFVMWVLMN-SUMWQHHRSA-N 1 3 333.867 2.831 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1)c1cccc(Cl)c1 ZINC000415100943 312094190 /nfs/dbraw/zinc/09/41/90/312094190.db2.gz AYINIUFVMWVLMN-SUMWQHHRSA-N 1 3 333.867 2.831 20 0 EFADHO CC(C)(C)NCC[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000415106098 312095077 /nfs/dbraw/zinc/09/50/77/312095077.db2.gz MPIDOVZQNDAELM-UHFFFAOYSA-N 1 3 325.447 2.907 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C2CCNCC2)CC1)c1ccccc1 ZINC000415109443 312095883 /nfs/dbraw/zinc/09/58/83/312095883.db2.gz PMHUNTFLRHHDDD-IBGZPJMESA-N 1 3 329.488 2.513 20 0 EFADHO CCN1CCN(c2ccc(NC[C@H]3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000415118195 312097512 /nfs/dbraw/zinc/09/75/12/312097512.db2.gz JKFWJQOISQSZDV-ROUUACIJSA-N 1 3 330.520 2.937 20 0 EFADHO COc1ccccc1/C=C/CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415130791 312099537 /nfs/dbraw/zinc/09/95/37/312099537.db2.gz XSTJHWUKQSHUNN-IUWYBMQSSA-N 1 3 330.472 2.927 20 0 EFADHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415130967 312099829 /nfs/dbraw/zinc/09/98/29/312099829.db2.gz ROYNGZDKSKBITN-GOSISDBHSA-N 1 3 327.476 2.871 20 0 EFADHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000415130967 312099832 /nfs/dbraw/zinc/09/98/32/312099832.db2.gz ROYNGZDKSKBITN-GOSISDBHSA-N 1 3 327.476 2.871 20 0 EFADHO [NH3+]C1(CNCc2ccccc2F)CCN(Cc2ccccc2)CC1 ZINC000415132678 312100123 /nfs/dbraw/zinc/10/01/23/312100123.db2.gz LMIVSTKWZZGPNN-UHFFFAOYSA-N 1 3 327.447 2.909 20 0 EFADHO COc1ccc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)cc1 ZINC000415135754 312100948 /nfs/dbraw/zinc/10/09/48/312100948.db2.gz QLOCIGUGKFAAOF-UHFFFAOYSA-N 1 3 339.483 2.778 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000415138319 312101480 /nfs/dbraw/zinc/10/14/80/312101480.db2.gz YZONMQAVESKUNM-HNNXBMFYSA-N 1 3 339.365 2.593 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000415138319 312101481 /nfs/dbraw/zinc/10/14/81/312101481.db2.gz YZONMQAVESKUNM-HNNXBMFYSA-N 1 3 339.365 2.593 20 0 EFADHO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(OCCN(C)C)c1 ZINC000415203316 312113408 /nfs/dbraw/zinc/11/34/08/312113408.db2.gz LEFCRQAZKKLMQQ-DOTOQJQBSA-N 1 3 348.491 2.669 20 0 EFADHO Cc1ccc(NC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(OCCN(C)C)c1 ZINC000415211600 312114448 /nfs/dbraw/zinc/11/44/48/312114448.db2.gz YOPQIVVHIQODNU-DOTOQJQBSA-N 1 3 348.491 2.527 20 0 EFADHO Cc1ccc(NC(=O)N[C@H](C)CCCC[NH3+])c(OCCN(C)C)c1 ZINC000415210766 312114557 /nfs/dbraw/zinc/11/45/57/312114557.db2.gz XPAUWVNBMIYTCL-OAHLLOKOSA-N 1 3 336.480 2.574 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)C(C)(C)C ZINC000415880781 312178618 /nfs/dbraw/zinc/17/86/18/312178618.db2.gz GMGOTERGKYYYJN-KRWDZBQOSA-N 1 3 332.492 2.820 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000415938354 312181667 /nfs/dbraw/zinc/18/16/67/312181667.db2.gz XQNIDOUVOTYAMO-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000415943823 312182437 /nfs/dbraw/zinc/18/24/37/312182437.db2.gz NIEFOQLCFFDQGD-QGZVFWFLSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000415943823 312182438 /nfs/dbraw/zinc/18/24/38/312182438.db2.gz NIEFOQLCFFDQGD-QGZVFWFLSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000415943822 312182504 /nfs/dbraw/zinc/18/25/04/312182504.db2.gz NIEFOQLCFFDQGD-KRWDZBQOSA-N 1 3 332.492 2.896 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000415943822 312182506 /nfs/dbraw/zinc/18/25/06/312182506.db2.gz NIEFOQLCFFDQGD-KRWDZBQOSA-N 1 3 332.492 2.896 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000415945761 312182900 /nfs/dbraw/zinc/18/29/00/312182900.db2.gz DPMUDYMMLCCSCX-UHFFFAOYSA-N 1 3 338.455 2.885 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000415954748 312184388 /nfs/dbraw/zinc/18/43/88/312184388.db2.gz OOERQQLPWBSLII-LLVKDONJSA-N 1 3 344.381 2.580 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415953583 312184626 /nfs/dbraw/zinc/18/46/26/312184626.db2.gz IPHLLXRHRBCLBC-HIFRSBDPSA-N 1 3 346.450 2.562 20 0 EFADHO CC[N@H+](CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415960490 312185611 /nfs/dbraw/zinc/18/56/11/312185611.db2.gz BWHAESUUZVGZIZ-UHFFFAOYSA-N 1 3 344.381 2.770 20 0 EFADHO CC[N@@H+](CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1)C1CC1 ZINC000415960490 312185614 /nfs/dbraw/zinc/18/56/14/312185614.db2.gz BWHAESUUZVGZIZ-UHFFFAOYSA-N 1 3 344.381 2.770 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000415970654 312187840 /nfs/dbraw/zinc/18/78/40/312187840.db2.gz FODZNTVNQSOMQG-LJQANCHMSA-N 1 3 338.455 2.931 20 0 EFADHO Cc1ccc([C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000415972286 312188253 /nfs/dbraw/zinc/18/82/53/312188253.db2.gz HZEWQVRZNPHWIR-SFHVURJKSA-N 1 3 326.444 2.878 20 0 EFADHO CN(CCN1CCCC1)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415973505 312188397 /nfs/dbraw/zinc/18/83/97/312188397.db2.gz QOECZARAFQZYKR-UHFFFAOYSA-N 1 3 344.381 2.724 20 0 EFADHO C[C@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CN1Cc1ccccc1 ZINC000415977930 312189227 /nfs/dbraw/zinc/18/92/27/312189227.db2.gz OYHOCLFUAISWLY-KXBFYZLASA-N 1 3 338.455 2.930 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N(C)CCCN(C)Cc2ccco2)cc1 ZINC000415980490 312189546 /nfs/dbraw/zinc/18/95/46/312189546.db2.gz GYMWPIHYODAJNG-UHFFFAOYSA-N 1 3 344.459 2.985 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)NCc2ccc(CN(C)C)cc2)cc1 ZINC000415983028 312190387 /nfs/dbraw/zinc/19/03/87/312190387.db2.gz FZKPNFTXUKETEJ-UHFFFAOYSA-N 1 3 326.444 2.789 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)NC[C@H]1C)c1ccsc1 ZINC000417009899 312194287 /nfs/dbraw/zinc/19/42/87/312194287.db2.gz OABCSFVRRCPSSP-SQWLQELKSA-N 1 3 338.521 2.523 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)c1ccsc1 ZINC000417009899 312194288 /nfs/dbraw/zinc/19/42/88/312194288.db2.gz OABCSFVRRCPSSP-SQWLQELKSA-N 1 3 338.521 2.523 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417184325 312197757 /nfs/dbraw/zinc/19/77/57/312197757.db2.gz SIVSUJRQHAYERQ-SFHVURJKSA-N 1 3 346.519 2.811 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000417184324 312197774 /nfs/dbraw/zinc/19/77/74/312197774.db2.gz SIVSUJRQHAYERQ-GOSISDBHSA-N 1 3 346.519 2.811 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000417304893 312206504 /nfs/dbraw/zinc/20/65/04/312206504.db2.gz FWDLGIDOAMFLTN-SZMVWBNQSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCC(C)CC1 ZINC000417314966 312208092 /nfs/dbraw/zinc/20/80/92/312208092.db2.gz RPUNQBLHNSHPAV-IEBWSBKVSA-N 1 3 346.519 2.886 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000417316195 312208179 /nfs/dbraw/zinc/20/81/79/312208179.db2.gz UAQYFPXWLPKTOF-ROUUACIJSA-N 1 3 334.508 2.613 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417336246 312210567 /nfs/dbraw/zinc/21/05/67/312210567.db2.gz WOTUTIGCQJCNSK-QZTJIDSGSA-N 1 3 346.519 2.667 20 0 EFADHO C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000417351672 312212891 /nfs/dbraw/zinc/21/28/91/312212891.db2.gz DCMYSPIGYKCYGV-RTBURBONSA-N 1 3 344.503 2.525 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CCCC[NH3+])N2CCCC2)cc1 ZINC000417351810 312213104 /nfs/dbraw/zinc/21/31/04/312213104.db2.gz DNVLCPJLUGVEJI-IEBWSBKVSA-N 1 3 346.519 2.949 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[N@H+](C)C1CC1 ZINC000417555980 312238997 /nfs/dbraw/zinc/23/89/97/312238997.db2.gz ZIEBRVCSYZCVSC-AUUYWEPGSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[N@@H+](C)C1CC1 ZINC000417555980 312238998 /nfs/dbraw/zinc/23/89/98/312238998.db2.gz ZIEBRVCSYZCVSC-AUUYWEPGSA-N 1 3 340.471 2.622 20 0 EFADHO CCCN(C(=O)NC[C@@H](C)N(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417590000 312244947 /nfs/dbraw/zinc/24/49/47/312244947.db2.gz QUXOZIDFYLPKDC-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000417624098 312249179 /nfs/dbraw/zinc/24/91/79/312249179.db2.gz KMEAUUAMDGIZCO-OAHLLOKOSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417630451 312249390 /nfs/dbraw/zinc/24/93/90/312249390.db2.gz RADHJTJWMVUQEZ-RYRKJORJSA-N 1 3 346.519 2.742 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000417677548 312255614 /nfs/dbraw/zinc/25/56/14/312255614.db2.gz FYMLRJPDEIOGCM-UZLBHIALSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417691595 312257678 /nfs/dbraw/zinc/25/76/78/312257678.db2.gz NALBQCQKPNOJET-INIZCTEOSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000417696200 312258250 /nfs/dbraw/zinc/25/82/50/312258250.db2.gz CDBOXJVWHRWLLT-OAHLLOKOSA-N 1 3 334.508 2.742 20 0 EFADHO C[NH2+]C[C@@H]1CCCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)C1 ZINC000417699201 312258585 /nfs/dbraw/zinc/25/85/85/312258585.db2.gz GTQRGBHWIJDGGH-SJORKVTESA-N 1 3 346.519 2.757 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417699108 312258655 /nfs/dbraw/zinc/25/86/55/312258655.db2.gz YUHYENMPNXRPGM-LPHOPBHVSA-N 1 3 346.519 2.885 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H](C)NC[C@@H]1C)c1ccccc1 ZINC000417703579 312259192 /nfs/dbraw/zinc/25/91/92/312259192.db2.gz LKNWGFFOWNQWGI-PMPSAXMXSA-N 1 3 332.492 2.508 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1NCCc2ccccc21)C(C)C ZINC000417805888 312272321 /nfs/dbraw/zinc/27/23/21/312272321.db2.gz ZMJDMMPQRWRRET-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)(C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H](N)c1ccccc1 ZINC000417810097 312272865 /nfs/dbraw/zinc/27/28/65/312272865.db2.gz HZUXCPVKYKPXOA-GOSISDBHSA-N 1 3 329.488 2.703 20 0 EFADHO CC(C)(C(=O)Nc1ccc(OCC[NH3+])cc1)[C@H](N)c1ccccc1 ZINC000417810246 312272898 /nfs/dbraw/zinc/27/28/98/312272898.db2.gz NMMLYHIVIBZYHW-QGZVFWFLSA-N 1 3 327.428 2.689 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417831685 312277846 /nfs/dbraw/zinc/27/78/46/312277846.db2.gz IGKXFAVIBHQITF-FUHWJXTLSA-N 1 3 346.519 2.856 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000417834366 312277985 /nfs/dbraw/zinc/27/79/85/312277985.db2.gz UYEOMZFYCXUCGU-WMZOPIPTSA-N 1 3 346.519 2.714 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000417837738 312278797 /nfs/dbraw/zinc/27/87/97/312278797.db2.gz XRVFHHVHVPVKJD-QRQLOZEOSA-N 1 3 346.519 2.714 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000417845545 312280330 /nfs/dbraw/zinc/28/03/30/312280330.db2.gz IRKUKELQXAFJNI-GUDVDZBRSA-N 1 3 346.519 2.982 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNCc2ccccc2C(=O)N(C)C)C1 ZINC000417869300 312285994 /nfs/dbraw/zinc/28/59/94/312285994.db2.gz LAJRSWRPIIGLGA-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNCc2ccccc2C(=O)N(C)C)C1 ZINC000417869300 312285997 /nfs/dbraw/zinc/28/59/97/312285997.db2.gz LAJRSWRPIIGLGA-KRWDZBQOSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000417886889 312289496 /nfs/dbraw/zinc/28/94/96/312289496.db2.gz ZNUXWCYLRSYAJG-CAMMJAKZSA-N 1 3 344.503 2.561 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]Cc3cc(C)nn3C)CC2)cc1 ZINC000417888821 312289863 /nfs/dbraw/zinc/28/98/63/312289863.db2.gz JCQBBZVZVAKDQO-UHFFFAOYSA-N 1 3 342.487 2.739 20 0 EFADHO CC1(C)C[C@@H]([NH2+]CCCCN2CCN(Cc3ccccc3)CC2)CO1 ZINC000417895592 312291297 /nfs/dbraw/zinc/29/12/97/312291297.db2.gz ZPAIQHBNFKQNER-HXUWFJFHSA-N 1 3 345.531 2.742 20 0 EFADHO Cc1cc(C[NH2+]C2[C@H](C)CN(Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000417933411 312297894 /nfs/dbraw/zinc/29/78/94/312297894.db2.gz DTXJMBBWPDQESS-HZPDHXFCSA-N 1 3 326.488 2.975 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000418008820 312308475 /nfs/dbraw/zinc/30/84/75/312308475.db2.gz TXEKBLROMDTSKT-QFBILLFUSA-N 1 3 346.519 2.813 20 0 EFADHO C[NH2+][C@H]1CCCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418031724 312312509 /nfs/dbraw/zinc/31/25/09/312312509.db2.gz LDACZDJCHVBSMM-OALUTQOASA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418035157 312313614 /nfs/dbraw/zinc/31/36/14/312313614.db2.gz OYGXRBOICGRNFM-QYZOEREBSA-N 1 3 346.519 2.570 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@H](CN)c2ccc3ccccc3c2)CCC1 ZINC000418054042 312317356 /nfs/dbraw/zinc/31/73/56/312317356.db2.gz DMJADUMSNORJOI-GOSISDBHSA-N 1 3 340.471 2.623 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H](CC(C)C)OC)CC1 ZINC000418106912 312327258 /nfs/dbraw/zinc/32/72/58/312327258.db2.gz YJQUIUKIBCPAPO-IBGZPJMESA-N 1 3 333.520 2.979 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])c1ccc(Cl)cc1 ZINC000418160860 312337073 /nfs/dbraw/zinc/33/70/73/312337073.db2.gz BRYVDEZXVJXKTG-BBRMVZONSA-N 1 3 340.899 2.759 20 0 EFADHO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418165272 312338293 /nfs/dbraw/zinc/33/82/93/312338293.db2.gz YENLIVGTCWYDMM-ROUUACIJSA-N 1 3 346.519 2.570 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418165264 312338298 /nfs/dbraw/zinc/33/82/98/312338298.db2.gz YENLIVGTCWYDMM-MSOLQXFVSA-N 1 3 346.519 2.570 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])c1ccco1 ZINC000418171064 312339296 /nfs/dbraw/zinc/33/92/96/312339296.db2.gz UFUSKZUOMWEAFJ-XUWVNRHRSA-N 1 3 336.480 2.526 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000418180787 312341357 /nfs/dbraw/zinc/34/13/57/312341357.db2.gz KTSYQBNGJVVPHZ-JQHSSLGASA-N 1 3 334.508 2.693 20 0 EFADHO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H](c1ccccc1)N(C)C ZINC000418183684 312341590 /nfs/dbraw/zinc/34/15/90/312341590.db2.gz OSRGXIWUNOUNIN-KFKAGJAMSA-N 1 3 346.519 2.885 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1)N(C)C ZINC000418183700 312341811 /nfs/dbraw/zinc/34/18/11/312341811.db2.gz OSYTUNSZSRIVQU-SNRMKQJTSA-N 1 3 346.519 2.803 20 0 EFADHO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H](c1ccccc1)N(C)C ZINC000418183682 312341856 /nfs/dbraw/zinc/34/18/56/312341856.db2.gz OSRGXIWUNOUNIN-IPELMVKDSA-N 1 3 346.519 2.885 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCCCC[NH3+])N(C)C)cc1 ZINC000418184816 312342103 /nfs/dbraw/zinc/34/21/03/312342103.db2.gz ADGILRPTYYXTMM-SFHVURJKSA-N 1 3 334.508 2.526 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])N(C)C ZINC000418187087 312342436 /nfs/dbraw/zinc/34/24/36/312342436.db2.gz SOZBPVAEMHNMIU-CAMMJAKZSA-N 1 3 346.519 2.803 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418186264 312342525 /nfs/dbraw/zinc/34/25/25/312342525.db2.gz CABBLBSVZYPKKM-LJQANCHMSA-N 1 3 346.519 2.621 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C)N(C)C ZINC000418188453 312342939 /nfs/dbraw/zinc/34/29/39/312342939.db2.gz ULJNQNDVMGFAMY-RYRKJORJSA-N 1 3 334.508 2.659 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+])N(C)C ZINC000418191061 312343485 /nfs/dbraw/zinc/34/34/85/312343485.db2.gz XCZWXHORWDURKI-BQFCYCMXSA-N 1 3 332.492 2.509 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418191306 312343567 /nfs/dbraw/zinc/34/35/67/312343567.db2.gz XFDPFNSURBNNAU-BBRMVZONSA-N 1 3 340.899 2.712 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)N(CC)CC)cc1 ZINC000418209781 312347391 /nfs/dbraw/zinc/34/73/91/312347391.db2.gz FTABYYJQHHPUQG-MJGOQNOKSA-N 1 3 346.519 2.622 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])N(CC)CC)cc1 ZINC000418213230 312348174 /nfs/dbraw/zinc/34/81/74/312348174.db2.gz KNPAMSNVTREMRI-KRWDZBQOSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)N(CC)CC)cc1 ZINC000418217995 312348894 /nfs/dbraw/zinc/34/88/94/312348894.db2.gz PUWBYFXPFJAMSW-RTBURBONSA-N 1 3 346.519 2.765 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000418242453 312352583 /nfs/dbraw/zinc/35/25/83/312352583.db2.gz VAXMLFJOCQPNAK-DLBZAZTESA-N 1 3 326.529 2.512 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418271330 312355479 /nfs/dbraw/zinc/35/54/79/312355479.db2.gz ZZBLNLRNHJSRCT-IPQPSQTFSA-N 1 3 344.503 2.734 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418271330 312355482 /nfs/dbraw/zinc/35/54/82/312355482.db2.gz ZZBLNLRNHJSRCT-IPQPSQTFSA-N 1 3 344.503 2.734 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000418276181 312356076 /nfs/dbraw/zinc/35/60/76/312356076.db2.gz FNJPYHADMQYYOD-APWZRJJASA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000418276181 312356079 /nfs/dbraw/zinc/35/60/79/312356079.db2.gz FNJPYHADMQYYOD-APWZRJJASA-N 1 3 346.519 2.841 20 0 EFADHO CCCN(C(=O)NCCC[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418278443 312356156 /nfs/dbraw/zinc/35/61/56/312356156.db2.gz MAICMHARVZJRSD-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000418276190 312356326 /nfs/dbraw/zinc/35/63/26/312356326.db2.gz FNJPYHADMQYYOD-QFBILLFUSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000418276190 312356329 /nfs/dbraw/zinc/35/63/29/312356329.db2.gz FNJPYHADMQYYOD-QFBILLFUSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000418297841 312358417 /nfs/dbraw/zinc/35/84/17/312358417.db2.gz OWPQNLCIMFJYMN-KRWDZBQOSA-N 1 3 332.492 2.771 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(CC)Cc1ccc(CN(C)C)cc1 ZINC000418473565 312359396 /nfs/dbraw/zinc/35/93/96/312359396.db2.gz UAHFAOWOLZEXJL-GOSISDBHSA-N 1 3 334.508 2.797 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000420343919 312363147 /nfs/dbraw/zinc/36/31/47/312363147.db2.gz SAWBGCMOAWBALN-NXNVCVFFSA-N 1 3 349.906 2.837 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420343295 312363172 /nfs/dbraw/zinc/36/31/72/312363172.db2.gz QMXQWVQATBXCNT-SXLOBPIMSA-N 1 3 343.515 2.802 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCc3cccc(OC)c3CC2)cc1 ZINC000420354238 312363617 /nfs/dbraw/zinc/36/36/17/312363617.db2.gz CPLDQVJVPDOITN-GOSISDBHSA-N 1 3 340.467 2.847 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCc3cccc(OC)c3CC2)cc1 ZINC000420354238 312363619 /nfs/dbraw/zinc/36/36/19/312363619.db2.gz CPLDQVJVPDOITN-GOSISDBHSA-N 1 3 340.467 2.847 20 0 EFADHO Cc1ccc([C@@]2(C)CC[N@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC000420354848 312363725 /nfs/dbraw/zinc/36/37/25/312363725.db2.gz DOZJFRBZPSPQGD-FKBYEOEOSA-N 1 3 338.495 2.889 20 0 EFADHO Cc1ccc([C@@]2(C)CC[N@@H+](C[C@H](O)[C@@H](N)Cc3ccccc3)C2)cc1 ZINC000420354848 312363727 /nfs/dbraw/zinc/36/37/27/312363727.db2.gz DOZJFRBZPSPQGD-FKBYEOEOSA-N 1 3 338.495 2.889 20 0 EFADHO Cc1ccc([C@@]2(C)CCN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cc1 ZINC000420354848 312363730 /nfs/dbraw/zinc/36/37/30/312363730.db2.gz DOZJFRBZPSPQGD-FKBYEOEOSA-N 1 3 338.495 2.889 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000420772577 312387065 /nfs/dbraw/zinc/38/70/65/312387065.db2.gz OASVLXBPUUPJOF-MOPGFXCFSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCCN1C)[N@H+](C)Cc1ccccc1 ZINC000420788171 312390705 /nfs/dbraw/zinc/39/07/05/312390705.db2.gz DFIYGUXFZRNNCP-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N(C)C[C@@H]1CCCN1C)[N@@H+](C)Cc1ccccc1 ZINC000420788171 312390708 /nfs/dbraw/zinc/39/07/08/312390708.db2.gz DFIYGUXFZRNNCP-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N1CCOCC1 ZINC000422820761 312410239 /nfs/dbraw/zinc/41/02/39/312410239.db2.gz SDOIUXPVPNFQTJ-MGPUTAFESA-N 1 3 348.535 2.636 20 0 EFADHO O=C(N1CCCC1)N1CCC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423108292 312411762 /nfs/dbraw/zinc/41/17/62/312411762.db2.gz QWAYMXUATVETQI-WJFTUGDTSA-N 1 3 348.535 2.567 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1 ZINC000423346011 312414275 /nfs/dbraw/zinc/41/42/75/312414275.db2.gz YGBLKTFIWATSIH-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N2CCCC2)cc1 ZINC000423367062 312416418 /nfs/dbraw/zinc/41/64/18/312416418.db2.gz YLATXQCGQCITSY-WDSOQIARSA-N 1 3 331.504 2.868 20 0 EFADHO Cc1cc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)s1 ZINC000423383560 312418218 /nfs/dbraw/zinc/41/82/18/312418218.db2.gz JNCYTAQCYKDOIK-SMDDNHRTSA-N 1 3 335.439 2.852 20 0 EFADHO CC[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1 ZINC000423393742 312419197 /nfs/dbraw/zinc/41/91/97/312419197.db2.gz RGGOTSXWKGZYBT-HUUCEWRRSA-N 1 3 333.373 2.703 20 0 EFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CNCCC2(F)F)CC1 ZINC000423487893 312423443 /nfs/dbraw/zinc/42/34/43/312423443.db2.gz USDSHRZJHKOANT-QAPCUYQASA-N 1 3 337.458 2.669 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423749952 312448310 /nfs/dbraw/zinc/44/83/10/312448310.db2.gz WRRJYTXUQNKEJX-PZJWPPBQSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000423756191 312449341 /nfs/dbraw/zinc/44/93/41/312449341.db2.gz GFWVGYBRPRKKDN-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423845971 312469298 /nfs/dbraw/zinc/46/92/98/312469298.db2.gz KWURVONTTATDLW-MOXGXCLJSA-N 1 3 344.503 2.631 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[C@H](N)c1ccccc1 ZINC000424045420 312502670 /nfs/dbraw/zinc/50/26/70/312502670.db2.gz UDQZVHXRJGVUTP-MSOLQXFVSA-N 1 3 343.515 2.949 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000433174030 312597765 /nfs/dbraw/zinc/59/77/65/312597765.db2.gz MBRYBQDAXCXZGT-RTBURBONSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)N1CCCCCC1 ZINC000438537433 312619155 /nfs/dbraw/zinc/61/91/55/312619155.db2.gz RSOLVUJNSSQGEZ-MRXNPFEDSA-N 1 3 337.533 2.903 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000450971632 312787514 /nfs/dbraw/zinc/78/75/14/312787514.db2.gz PARCGKGBYDNIAL-MOPGFXCFSA-N 1 3 339.568 2.976 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccncc1 ZINC000453089816 312859655 /nfs/dbraw/zinc/85/96/55/312859655.db2.gz PEGLPIHICKPDMU-HXUWFJFHSA-N 1 3 339.487 2.730 20 0 EFADHO Cc1cc(Br)c(CNCC2CC[NH+](CCO)CC2)s1 ZINC000453582447 312912906 /nfs/dbraw/zinc/91/29/06/312912906.db2.gz FGWXYTGUYMSCSA-UHFFFAOYSA-N 1 3 347.322 2.613 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCc2ccc(C)cn2)CC1 ZINC000453595066 312914711 /nfs/dbraw/zinc/91/47/11/312914711.db2.gz CQDHXVKYSJMQFT-UHFFFAOYSA-N 1 3 338.499 2.864 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000458049008 313062185 /nfs/dbraw/zinc/06/21/85/313062185.db2.gz PEQOBMAXWLBSFC-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000458049008 313062188 /nfs/dbraw/zinc/06/21/88/313062188.db2.gz PEQOBMAXWLBSFC-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1OCCN(C)C ZINC000458226399 313087414 /nfs/dbraw/zinc/08/74/14/313087414.db2.gz ZCIAPUOVMYHEMZ-UHFFFAOYSA-N 1 3 345.487 2.748 20 0 EFADHO C[N@H+](CCn1cc(Cl)cn1)CC1CCN(c2ccncc2)CC1 ZINC000459374870 313103258 /nfs/dbraw/zinc/10/32/58/313103258.db2.gz OZAFUWVXOVCBQB-UHFFFAOYSA-N 1 3 333.867 2.780 20 0 EFADHO C[N@@H+](CCn1cc(Cl)cn1)CC1CCN(c2ccncc2)CC1 ZINC000459374870 313103259 /nfs/dbraw/zinc/10/32/59/313103259.db2.gz OZAFUWVXOVCBQB-UHFFFAOYSA-N 1 3 333.867 2.780 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000470245991 313129968 /nfs/dbraw/zinc/12/99/68/313129968.db2.gz DBGWUTZQVOZYJU-DEYYWGMASA-N 1 3 342.886 2.950 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](CO)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000470245991 313129972 /nfs/dbraw/zinc/12/99/72/313129972.db2.gz DBGWUTZQVOZYJU-DEYYWGMASA-N 1 3 342.886 2.950 20 0 EFADHO CC[C@H](C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[NH+](CC)CC ZINC000471624045 313143205 /nfs/dbraw/zinc/14/32/05/313143205.db2.gz FUNPITNHVRZTOI-LJQANCHMSA-N 1 3 346.519 2.887 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474798952 313212153 /nfs/dbraw/zinc/21/21/53/313212153.db2.gz MTMXHIQTZGABPW-FRRDWIJNSA-N 1 3 328.909 2.940 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000475034429 313215143 /nfs/dbraw/zinc/21/51/43/313215143.db2.gz VLEBVXWXSYIPNC-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000475034429 313215145 /nfs/dbraw/zinc/21/51/45/313215145.db2.gz VLEBVXWXSYIPNC-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]2CCCC[C@H]12 ZINC000475134022 313218179 /nfs/dbraw/zinc/21/81/79/313218179.db2.gz ZLSBMUISNCBAPB-RSPOEFSDSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)[C@H]2CCCC[C@H]12 ZINC000475134022 313218182 /nfs/dbraw/zinc/21/81/82/313218182.db2.gz ZLSBMUISNCBAPB-RSPOEFSDSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)CCN(C(=O)NCC(C)(C)C[NH+]1CCCC1)C1CCCC1 ZINC000479043166 313259842 /nfs/dbraw/zinc/25/98/42/313259842.db2.gz PSNLWPRDKURNJG-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1CCCC[C@H]1C ZINC000479288549 313264117 /nfs/dbraw/zinc/26/41/17/313264117.db2.gz QLRGXDSNXWIGJO-BRSBDYLESA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)N1CCCC[C@@H]1C ZINC000479288550 313264467 /nfs/dbraw/zinc/26/44/67/313264467.db2.gz QLRGXDSNXWIGJO-BSDSXHPESA-N 1 3 336.524 2.518 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549323 313282037 /nfs/dbraw/zinc/28/20/37/313282037.db2.gz DHILFPYMLXPVAJ-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549323 313282059 /nfs/dbraw/zinc/28/20/59/313282059.db2.gz DHILFPYMLXPVAJ-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549323 313282060 /nfs/dbraw/zinc/28/20/60/313282060.db2.gz DHILFPYMLXPVAJ-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000480549323 313282062 /nfs/dbraw/zinc/28/20/62/313282062.db2.gz DHILFPYMLXPVAJ-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000481188334 313288561 /nfs/dbraw/zinc/28/85/61/313288561.db2.gz HFHYJACZKGMHQV-NZSAHSFTSA-N 1 3 331.504 2.964 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC[C@@H](O)COc1ccccc1 ZINC000482157242 313299491 /nfs/dbraw/zinc/29/94/91/313299491.db2.gz NMUQSSQCYGILKD-NLWGTHIKSA-N 1 3 334.504 2.917 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000482157242 313299494 /nfs/dbraw/zinc/29/94/94/313299494.db2.gz NMUQSSQCYGILKD-NLWGTHIKSA-N 1 3 334.504 2.917 20 0 EFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485558013 313328855 /nfs/dbraw/zinc/32/88/55/313328855.db2.gz WTFCWGWZWJAJBL-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488420108 313483593 /nfs/dbraw/zinc/48/35/93/313483593.db2.gz PNRUSSOPAIALQV-PKOBYXMFSA-N 1 3 348.560 2.713 20 0 EFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC2)CC1 ZINC000488431156 313484378 /nfs/dbraw/zinc/48/43/78/313484378.db2.gz GXQMAGJFYZUNGP-IBGZPJMESA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)[C@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCCN(C)C)c2)CS1 ZINC000488443590 313484992 /nfs/dbraw/zinc/48/49/92/313484992.db2.gz OVJKXPZODYHQIZ-ZWKOTPCHSA-N 1 3 349.544 2.598 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(Br)c(F)c1 ZINC000489491145 313581651 /nfs/dbraw/zinc/58/16/51/313581651.db2.gz XRRZKLFNOXSPQH-NSHDSACASA-N 1 3 345.256 2.696 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000493473516 314369925 /nfs/dbraw/zinc/36/99/25/314369925.db2.gz NICGVVMGPCAWBD-JYJNAYRXSA-N 1 3 327.513 2.856 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000493473516 314369929 /nfs/dbraw/zinc/36/99/29/314369929.db2.gz NICGVVMGPCAWBD-JYJNAYRXSA-N 1 3 327.513 2.856 20 0 EFADHO C[C@@H]1CNCC[C@@H]1[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000496108866 314947723 /nfs/dbraw/zinc/94/77/23/314947723.db2.gz UTQQJVXAYOIROF-RYRKJORJSA-N 1 3 331.460 2.628 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496269138 315005886 /nfs/dbraw/zinc/00/58/86/315005886.db2.gz ZQMFLLVNLHNUIR-LPHOPBHVSA-N 1 3 345.487 2.765 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2=CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496295381 315016557 /nfs/dbraw/zinc/01/65/57/315016557.db2.gz OWQGMUMRUVTCEO-NVXWUHKLSA-N 1 3 337.508 2.874 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@H]2CCCCN2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496381767 315047641 /nfs/dbraw/zinc/04/76/41/315047641.db2.gz HCZJRBOGENERBF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@H]2CCCCN2C)C[C@H]1NC(=O)OC(C)(C)C ZINC000496381767 315047643 /nfs/dbraw/zinc/04/76/43/315047643.db2.gz HCZJRBOGENERBF-BZUAXINKSA-N 1 3 325.497 2.706 20 0 EFADHO COC(=O)Nc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000496422680 315062487 /nfs/dbraw/zinc/06/24/87/315062487.db2.gz XMYJHYMDTWSGSE-KSZLIROESA-N 1 3 331.460 2.918 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496471582 315078429 /nfs/dbraw/zinc/07/84/29/315078429.db2.gz MDVGIYKQSDGTKG-JKSUJKDBSA-N 1 3 333.476 2.751 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CC(C)C ZINC000496741620 315178322 /nfs/dbraw/zinc/17/83/22/315178322.db2.gz QTZIMGRWPOYBDE-MWDXBVQZSA-N 1 3 325.497 2.658 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752960 315182590 /nfs/dbraw/zinc/18/25/90/315182590.db2.gz AKZJSJYKJRNTMW-OWCLPIDISA-N 1 3 327.513 2.998 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000496752960 315182593 /nfs/dbraw/zinc/18/25/93/315182593.db2.gz AKZJSJYKJRNTMW-OWCLPIDISA-N 1 3 327.513 2.998 20 0 EFADHO C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809738 315203951 /nfs/dbraw/zinc/20/39/51/315203951.db2.gz NJSRSUVZZNGKKN-WCXIOVBPSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809738 315203954 /nfs/dbraw/zinc/20/39/54/315203954.db2.gz NJSRSUVZZNGKKN-WCXIOVBPSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809735 315204157 /nfs/dbraw/zinc/20/41/57/315204157.db2.gz NJSRSUVZZNGKKN-LTIDMASMSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCCN[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000496809735 315204159 /nfs/dbraw/zinc/20/41/59/315204159.db2.gz NJSRSUVZZNGKKN-LTIDMASMSA-N 1 3 337.508 2.706 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[C@@H]1CCCN1C ZINC000496962244 315259425 /nfs/dbraw/zinc/25/94/25/315259425.db2.gz YZOKPKVPVKPFSP-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497061347 315296228 /nfs/dbraw/zinc/29/62/28/315296228.db2.gz FNGCSENSIAQGGO-INIZCTEOSA-N 1 3 327.513 2.859 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNCCCNC(=O)OC(C)(C)C)C1 ZINC000497061347 315296231 /nfs/dbraw/zinc/29/62/31/315296231.db2.gz FNGCSENSIAQGGO-INIZCTEOSA-N 1 3 327.513 2.859 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNCCCNC(=O)OC(C)(C)C)C1 ZINC000497061347 315296233 /nfs/dbraw/zinc/29/62/33/315296233.db2.gz FNGCSENSIAQGGO-INIZCTEOSA-N 1 3 327.513 2.859 20 0 EFADHO CN(CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085911 315304299 /nfs/dbraw/zinc/30/42/99/315304299.db2.gz ZQDJRICLNWIJNQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085911 315304302 /nfs/dbraw/zinc/30/43/02/315304302.db2.gz ZQDJRICLNWIJNQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085911 315304306 /nfs/dbraw/zinc/30/43/06/315304306.db2.gz ZQDJRICLNWIJNQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@H+]1CC[C@H]2[C@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085911 315304309 /nfs/dbraw/zinc/30/43/09/315304309.db2.gz ZQDJRICLNWIJNQ-CVEARBPZSA-N 1 3 325.497 2.660 20 0 EFADHO CC(C)COC(=O)N1CCC(NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000497205445 315349634 /nfs/dbraw/zinc/34/96/34/315349634.db2.gz WJDHGDXAUCIRDC-MRXNPFEDSA-N 1 3 325.497 2.611 20 0 EFADHO O=C1O[C@]2(CN1CN(CC1CC1)C1CCCCC1)C[NH+]1CCC2CC1 ZINC000497263515 315371668 /nfs/dbraw/zinc/37/16/68/315371668.db2.gz UAMOIRGMFMYDQZ-FQEVSTJZSA-N 1 3 347.503 2.905 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1 ZINC000497282736 315378378 /nfs/dbraw/zinc/37/83/78/315378378.db2.gz MHHXEKLIMNIKLJ-ZACQAIPSSA-N 1 3 331.460 2.770 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N(C)CCN1CCCC1)[NH+]1CCCC1 ZINC000497771056 315396853 /nfs/dbraw/zinc/39/68/53/315396853.db2.gz FRAKUBOAJIXAGF-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N(C)CCN1CCCC1)[NH+]1CCCC1 ZINC000497771057 315397079 /nfs/dbraw/zinc/39/70/79/315397079.db2.gz FRAKUBOAJIXAGF-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC[C@H]1O ZINC000514930722 315576839 /nfs/dbraw/zinc/57/68/39/315576839.db2.gz OKJGDMXHVYSITC-AFYVEPGGSA-N 1 3 330.472 2.773 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000514938046 315577847 /nfs/dbraw/zinc/57/78/47/315577847.db2.gz ANKFIGLKRVYTMU-GOSISDBHSA-N 1 3 333.476 2.878 20 0 EFADHO c1ncn(Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)n1 ZINC000515483289 315621089 /nfs/dbraw/zinc/62/10/89/315621089.db2.gz HLNPTHKEJUUDIS-XUVXKRRUSA-N 1 3 339.487 2.727 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000516263502 315667781 /nfs/dbraw/zinc/66/77/81/315667781.db2.gz WDZZXHUHNAJAOQ-HKUYNNGSSA-N 1 3 344.503 2.519 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CNCc2ccccc21 ZINC000519391509 315859007 /nfs/dbraw/zinc/85/90/07/315859007.db2.gz DRXYMRIUDHTLKB-NRFANRHFSA-N 1 3 349.478 2.786 20 0 EFADHO [NH3+]CCC[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1 ZINC000519528988 315867723 /nfs/dbraw/zinc/86/77/23/315867723.db2.gz OVRLGRVRBHAPGQ-SFHVURJKSA-N 1 3 339.418 2.976 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)N(C)C ZINC000519819919 315918703 /nfs/dbraw/zinc/91/87/03/315918703.db2.gz BTWNOXHXIJBNJJ-DOTOQJQBSA-N 1 3 339.911 2.688 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCN(CCC(C)(C)C)CC2)CCCC1 ZINC000521384652 316020014 /nfs/dbraw/zinc/02/00/14/316020014.db2.gz GIAJJABGSPOWNE-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO Clc1ccc(-n2cc(CNCC[C@H]3CC[NH2+]C3)nn2)cc1Cl ZINC000521983278 316058699 /nfs/dbraw/zinc/05/86/99/316058699.db2.gz NREVSYLFGLOBFJ-LLVKDONJSA-N 1 3 340.258 2.663 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000523507048 316127919 /nfs/dbraw/zinc/12/79/19/316127919.db2.gz SBBJCMASMRVVCF-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000523507048 316127922 /nfs/dbraw/zinc/12/79/22/316127922.db2.gz SBBJCMASMRVVCF-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000524263693 316151821 /nfs/dbraw/zinc/15/18/21/316151821.db2.gz RYGDEMMKTZXNHD-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000524263693 316151824 /nfs/dbraw/zinc/15/18/24/316151824.db2.gz RYGDEMMKTZXNHD-HKUYNNGSSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000524425755 316157266 /nfs/dbraw/zinc/15/72/66/316157266.db2.gz OWBUCNVHWPCYKE-QRQLOZEOSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2ccsc21 ZINC000525890596 316253056 /nfs/dbraw/zinc/25/30/56/316253056.db2.gz NHJGRIIHHDXQKR-UHFFFAOYSA-N 1 3 334.489 2.858 20 0 EFADHO Cc1c([C@@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1C(C)(C)C ZINC000526050540 316283022 /nfs/dbraw/zinc/28/30/22/316283022.db2.gz VXOQXTWONYIETE-MRXNPFEDSA-N 1 3 335.540 2.625 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@H](C)C1 ZINC000527049661 316326603 /nfs/dbraw/zinc/32/66/03/316326603.db2.gz SMPDOILNXZJLNG-QRVBRYPASA-N 1 3 325.541 2.587 20 0 EFADHO Cc1ccc2cc(C[NH2+]CCCCN3CCN(C)CC3)ccc2n1 ZINC000527366046 316374256 /nfs/dbraw/zinc/37/42/56/316374256.db2.gz UNHRWFNUUGSZEN-UHFFFAOYSA-N 1 3 326.488 2.660 20 0 EFADHO CSc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1C ZINC000527381826 316376045 /nfs/dbraw/zinc/37/60/45/316376045.db2.gz UWFBBFMQSOBSHO-UHFFFAOYSA-N 1 3 338.521 2.674 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCS2 ZINC000527505824 316386888 /nfs/dbraw/zinc/38/68/88/316386888.db2.gz VNBBPGFYCASDEV-SFHVURJKSA-N 1 3 349.544 2.849 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529369857 316866974 /nfs/dbraw/zinc/86/69/74/316866974.db2.gz ZVTWSJTZFBEBHQ-GOSISDBHSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]([C@H]1CC[NH2+]C1)N1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000530213717 317082331 /nfs/dbraw/zinc/08/23/31/317082331.db2.gz VPLXIZCQAZARTC-YOEHRIQHSA-N 1 3 332.492 2.980 20 0 EFADHO CC(C)Cc1ncc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530248867 317090990 /nfs/dbraw/zinc/09/09/90/317090990.db2.gz RBIIRMDXANVSKE-MRXNPFEDSA-N 1 3 337.533 2.932 20 0 EFADHO c1ccc2c(c1)C=C(CN1CCC(CO[C@H]3CC[NH2+]C3)CC1)CO2 ZINC000530248102 317091207 /nfs/dbraw/zinc/09/12/07/317091207.db2.gz FZFGHQKSECNSLQ-IBGZPJMESA-N 1 3 328.456 2.553 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000531708554 317303202 /nfs/dbraw/zinc/30/32/02/317303202.db2.gz KMTOQNNUTROBRF-DNVCBOLYSA-N 1 3 338.455 2.764 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000531708554 317303206 /nfs/dbraw/zinc/30/32/06/317303206.db2.gz KMTOQNNUTROBRF-DNVCBOLYSA-N 1 3 338.455 2.764 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531979577 317338513 /nfs/dbraw/zinc/33/85/13/317338513.db2.gz KSLHBNWUFMLXDR-WMLDXEAASA-N 1 3 333.476 2.579 20 0 EFADHO C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000547691316 318030330 /nfs/dbraw/zinc/03/03/30/318030330.db2.gz SORCKKCUBFRQBU-SJORKVTESA-N 1 3 346.475 2.631 20 0 EFADHO CN(C)CCN(Cc1ccccn1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060032 318068589 /nfs/dbraw/zinc/06/85/89/318068589.db2.gz VNNBWJOOUMWTNE-UHFFFAOYSA-N 1 3 346.519 2.626 20 0 EFADHO CN(C)CCN(Cc1ccccn1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060032 318068591 /nfs/dbraw/zinc/06/85/91/318068591.db2.gz VNNBWJOOUMWTNE-UHFFFAOYSA-N 1 3 346.519 2.626 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548483477 318113144 /nfs/dbraw/zinc/11/31/44/318113144.db2.gz UVKYJZFHROAZEW-SXLOBPIMSA-N 1 3 332.488 2.682 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483477 318113145 /nfs/dbraw/zinc/11/31/45/318113145.db2.gz UVKYJZFHROAZEW-SXLOBPIMSA-N 1 3 332.488 2.682 20 0 EFADHO C[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccn2)C[C@@H]1c1ccccc1 ZINC000551015681 318200577 /nfs/dbraw/zinc/20/05/77/318200577.db2.gz YRSQORIVPZDNKD-QZTJIDSGSA-N 1 3 338.455 2.835 20 0 EFADHO C[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccn2)C[C@@H]1c1ccccc1 ZINC000551015681 318200578 /nfs/dbraw/zinc/20/05/78/318200578.db2.gz YRSQORIVPZDNKD-QZTJIDSGSA-N 1 3 338.455 2.835 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000551030101 318200850 /nfs/dbraw/zinc/20/08/50/318200850.db2.gz WLDYYOLLWIRKMC-IBGZPJMESA-N 1 3 340.467 2.763 20 0 EFADHO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000551419637 318207171 /nfs/dbraw/zinc/20/71/71/318207171.db2.gz PBZOAIAMPJZYNZ-MJGOQNOKSA-N 1 3 332.488 2.872 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551793389 318216581 /nfs/dbraw/zinc/21/65/81/318216581.db2.gz KNXOYGGWLLMKMF-PMACEKPBSA-N 1 3 345.531 2.850 20 0 EFADHO Cc1ccc(CC[C@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)cc1 ZINC000552278733 318250804 /nfs/dbraw/zinc/25/08/04/318250804.db2.gz KFVFJQUGTHUKCS-IBGZPJMESA-N 1 3 345.531 2.898 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675139 318260972 /nfs/dbraw/zinc/26/09/72/318260972.db2.gz KLBIQKVQJLTCBQ-NVXWUHKLSA-N 1 3 337.895 2.791 20 0 EFADHO CCCN(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000552675139 318260974 /nfs/dbraw/zinc/26/09/74/318260974.db2.gz KLBIQKVQJLTCBQ-NVXWUHKLSA-N 1 3 337.895 2.791 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553006777 318268097 /nfs/dbraw/zinc/26/80/97/318268097.db2.gz SJRWGNVOIOVJKN-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553164329 318273134 /nfs/dbraw/zinc/27/31/34/318273134.db2.gz MVXUMGMBLRMGHS-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553164329 318273135 /nfs/dbraw/zinc/27/31/35/318273135.db2.gz MVXUMGMBLRMGHS-AQNXPRMDSA-N 1 3 341.499 2.594 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000553179191 318273583 /nfs/dbraw/zinc/27/35/83/318273583.db2.gz SRFRUAZUKGMJMB-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497930 318285450 /nfs/dbraw/zinc/28/54/50/318285450.db2.gz XKZDSBBHTAYIRJ-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCC(C)(C)C1 ZINC000553497930 318285453 /nfs/dbraw/zinc/28/54/53/318285453.db2.gz XKZDSBBHTAYIRJ-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553521885 318286317 /nfs/dbraw/zinc/28/63/17/318286317.db2.gz CRYNWTYFDCGPGA-UHFFFAOYSA-N 1 3 343.471 2.588 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)no1 ZINC000554888313 318339639 /nfs/dbraw/zinc/33/96/39/318339639.db2.gz BVWOQWWQIBFGQG-KBXCAEBGSA-N 1 3 344.459 2.729 20 0 EFADHO Cc1nc(COc2ccc(CN(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)no1 ZINC000554888313 318339640 /nfs/dbraw/zinc/33/96/40/318339640.db2.gz BVWOQWWQIBFGQG-KBXCAEBGSA-N 1 3 344.459 2.729 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000556381225 318388818 /nfs/dbraw/zinc/38/88/18/318388818.db2.gz AKORRPCCDHLJNM-LJQANCHMSA-N 1 3 348.531 2.997 20 0 EFADHO CCc1cc(N2CCC(N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)ncn1 ZINC000556951964 318421028 /nfs/dbraw/zinc/42/10/28/318421028.db2.gz JCDFNYDUQYMQQE-LPHOPBHVSA-N 1 3 345.535 2.908 20 0 EFADHO CN1CCC(C[NH2+]C[C@H]2CCCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000560896789 318580227 /nfs/dbraw/zinc/58/02/27/318580227.db2.gz WGTQMYPHSDCRLV-SFHVURJKSA-N 1 3 337.552 2.589 20 0 EFADHO CC(C)(CNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCCCC1 ZINC000562770771 318697727 /nfs/dbraw/zinc/69/77/27/318697727.db2.gz IHBBZVZIFNSWOD-UHFFFAOYSA-N 1 3 330.476 2.718 20 0 EFADHO CC1(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000562790189 318700279 /nfs/dbraw/zinc/70/02/79/318700279.db2.gz YXMYXHKWOAZSPW-GOSISDBHSA-N 1 3 344.503 2.512 20 0 EFADHO COc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1OCc1cccnc1 ZINC000563135576 318744491 /nfs/dbraw/zinc/74/44/91/318744491.db2.gz NDOULDIRLQNVDO-LSDHHAIUSA-N 1 3 329.444 2.885 20 0 EFADHO O=C(c1cccc(CN2CCCC2)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000563625893 318804847 /nfs/dbraw/zinc/80/48/47/318804847.db2.gz ZQMVYCCSHGLFCJ-PMACEKPBSA-N 1 3 341.499 2.744 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000563956899 318833129 /nfs/dbraw/zinc/83/31/29/318833129.db2.gz AJJVSKLEYFUOEI-MJGOQNOKSA-N 1 3 329.488 2.532 20 0 EFADHO O=C1NCC[C@@]12CCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565900211 319013387 /nfs/dbraw/zinc/01/33/87/319013387.db2.gz HRURMPWJYJGXIL-FQEVSTJZSA-N 1 3 327.472 2.527 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000565924444 319014779 /nfs/dbraw/zinc/01/47/79/319014779.db2.gz SZVDAJPWDJCKTP-UHFFFAOYSA-N 1 3 325.456 2.527 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000566055921 319026810 /nfs/dbraw/zinc/02/68/10/319026810.db2.gz MJYFQZXBKPYNLD-ZCNNSNEGSA-N 1 3 341.499 2.662 20 0 EFADHO CC[C@H]([NH2+][C@H](C)[C@H]1CCCNC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000566091158 319031645 /nfs/dbraw/zinc/03/16/45/319031645.db2.gz UVUANESOVMBLBK-GTAWCEEGSA-N 1 3 341.503 2.932 20 0 EFADHO CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]C1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000566091158 319031647 /nfs/dbraw/zinc/03/16/47/319031647.db2.gz UVUANESOVMBLBK-GTAWCEEGSA-N 1 3 341.503 2.932 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F)C1=CCN(C)CC1 ZINC000566131503 319037976 /nfs/dbraw/zinc/03/79/76/319037976.db2.gz MAKOCPVWFUCUAM-CZUORRHYSA-N 1 3 342.405 2.849 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000566167650 319042817 /nfs/dbraw/zinc/04/28/17/319042817.db2.gz CIRMGMYHMZVYSF-IYBDPMFKSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3(N)CCC3)cc2)C1 ZINC000566167650 319042819 /nfs/dbraw/zinc/04/28/19/319042819.db2.gz CIRMGMYHMZVYSF-IYBDPMFKSA-N 1 3 329.488 2.662 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000566288382 319057702 /nfs/dbraw/zinc/05/77/02/319057702.db2.gz DPARCRBJMDEQQG-AWEZNQCLSA-N 1 3 333.476 2.721 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000566294461 319058985 /nfs/dbraw/zinc/05/89/85/319058985.db2.gz FMOYZJOEEBBJES-IBGZPJMESA-N 1 3 344.503 2.679 20 0 EFADHO CC1(C(=O)N2CCC(CC[NH3+])CC2)CCN(Cc2ccccc2)CC1 ZINC000566406498 319070364 /nfs/dbraw/zinc/07/03/64/319070364.db2.gz KZNIPKPYRNWFMW-UHFFFAOYSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@@H]1COc2ccccc21 ZINC000566556817 319089329 /nfs/dbraw/zinc/08/93/29/319089329.db2.gz DYLQGOJQLTWMSB-GUYCJALGSA-N 1 3 327.428 2.796 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N(C)C2CC([NH3+])C2)c2ccccc2)CC1 ZINC000566609883 319094224 /nfs/dbraw/zinc/09/42/24/319094224.db2.gz FKUUJURHKNWKFF-ACBHZAAOSA-N 1 3 344.503 2.591 20 0 EFADHO CCOC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000567103922 319138687 /nfs/dbraw/zinc/13/86/87/319138687.db2.gz YHLYIQHEJWPBSA-HXUWFJFHSA-N 1 3 342.483 2.902 20 0 EFADHO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000567112949 319140156 /nfs/dbraw/zinc/14/01/56/319140156.db2.gz MCGUCTRTZKPHEA-PXNSSMCTSA-N 1 3 343.515 2.840 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CCN(c3ccccc3Br)C2)C1 ZINC000567123431 319141364 /nfs/dbraw/zinc/14/13/64/319141364.db2.gz HNPCCSXOOYXIDJ-HZSPNIEDSA-N 1 3 338.293 2.887 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3cccc(-n4cccn4)c3)CC2)C1 ZINC000567143164 319142741 /nfs/dbraw/zinc/14/27/41/319142741.db2.gz JRMBTOUFOABYLL-QUCCMNQESA-N 1 3 340.471 2.591 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000567226887 319151107 /nfs/dbraw/zinc/15/11/07/319151107.db2.gz VSXGTAFGKHEKJX-QXAKKESOSA-N 1 3 347.478 2.764 20 0 EFADHO COC[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000567345332 319162136 /nfs/dbraw/zinc/16/21/36/319162136.db2.gz DCPBSBGUTFIFDP-LJQANCHMSA-N 1 3 328.456 2.512 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365190 319164738 /nfs/dbraw/zinc/16/47/38/319164738.db2.gz OKJWDVHZTOPJHR-LPHOPBHVSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365190 319164741 /nfs/dbraw/zinc/16/47/41/319164741.db2.gz OKJWDVHZTOPJHR-LPHOPBHVSA-N 1 3 328.456 2.621 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000567365190 319164743 /nfs/dbraw/zinc/16/47/43/319164743.db2.gz OKJWDVHZTOPJHR-LPHOPBHVSA-N 1 3 328.456 2.621 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000567382994 319166478 /nfs/dbraw/zinc/16/64/78/319166478.db2.gz GEDICRYMMFMMNK-SCTDSRPQSA-N 1 3 346.519 2.885 20 0 EFADHO c1ccc(CN2CC[C@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000567457448 319172989 /nfs/dbraw/zinc/17/29/89/319172989.db2.gz NZWMNEJKVYQTKL-RTWAWAEBSA-N 1 3 344.499 2.780 20 0 EFADHO c1ccc(CN2CC[C@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000567457448 319172990 /nfs/dbraw/zinc/17/29/90/319172990.db2.gz NZWMNEJKVYQTKL-RTWAWAEBSA-N 1 3 344.499 2.780 20 0 EFADHO O[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)CC(F)(F)F ZINC000567464488 319173996 /nfs/dbraw/zinc/17/39/96/319173996.db2.gz VNWTWKDFTPNOLH-ZDUSSCGKSA-N 1 3 336.423 2.863 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC000567689425 319197806 /nfs/dbraw/zinc/19/78/06/319197806.db2.gz JWGBCHACHDDFBV-KBAYOESNSA-N 1 3 334.504 2.796 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC000567689425 319197807 /nfs/dbraw/zinc/19/78/07/319197807.db2.gz JWGBCHACHDDFBV-KBAYOESNSA-N 1 3 334.504 2.796 20 0 EFADHO [NH3+][C@H]1C[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000567910194 319224916 /nfs/dbraw/zinc/22/49/16/319224916.db2.gz DTIFXYLIHIDPCH-WOVMCDHWSA-N 1 3 335.879 2.502 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCCN(C)Cc1ccncc1 ZINC000568043782 319240389 /nfs/dbraw/zinc/24/03/89/319240389.db2.gz ULWNTNGSNPMKDD-MRXNPFEDSA-N 1 3 334.508 2.529 20 0 EFADHO CCc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@H](N)c4ccccc43)C2)ncn1 ZINC000568075249 319244434 /nfs/dbraw/zinc/24/44/34/319244434.db2.gz HMDSAEQBENIREX-SNRMKQJTSA-N 1 3 337.471 2.742 20 0 EFADHO CCc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)ncn1 ZINC000568075250 319244696 /nfs/dbraw/zinc/24/46/96/319244696.db2.gz HMDSAEQBENIREX-ZYSHUDEJSA-N 1 3 337.471 2.742 20 0 EFADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCCC[C@H]1C ZINC000568193136 319256664 /nfs/dbraw/zinc/25/66/64/319256664.db2.gz BMWSMVVMSRSBNN-SJORKVTESA-N 1 3 331.504 2.783 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC3C(C)(C)C3(C)C)CC2)CC1 ZINC000568198182 319257405 /nfs/dbraw/zinc/25/74/05/319257405.db2.gz VREUALJTDAMZDH-UHFFFAOYSA-N 1 3 335.536 2.734 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000568368796 319276482 /nfs/dbraw/zinc/27/64/82/319276482.db2.gz CHZVNCMOFSRPHX-FUHWJXTLSA-N 1 3 346.500 2.857 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568389573 319279133 /nfs/dbraw/zinc/27/91/33/319279133.db2.gz PEOFYAWDCQAEMX-GHTZIAJQSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(CN(C)C)cc1NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000568399643 319280599 /nfs/dbraw/zinc/28/05/99/319280599.db2.gz VWBCGCPRCWHCFK-SFHVURJKSA-N 1 3 325.456 2.955 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000568414967 319282700 /nfs/dbraw/zinc/28/27/00/319282700.db2.gz AZWMWCQMESFMFW-ZSGPHXLJSA-N 1 3 333.451 2.737 20 0 EFADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568974032 319336134 /nfs/dbraw/zinc/33/61/34/319336134.db2.gz XYIWMHPQSKRHIY-YTQUADARSA-N 1 3 344.503 2.511 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCc3cscc3C)CC2)CC1 ZINC000569000604 319338950 /nfs/dbraw/zinc/33/89/50/319338950.db2.gz PRMVRJYLINRLBD-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000569214713 319359274 /nfs/dbraw/zinc/35/92/74/319359274.db2.gz ZTBLIYDDJJDPIJ-ZNMIVQPWSA-N 1 3 326.868 2.542 20 0 EFADHO C[C@]1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC000569694282 319405402 /nfs/dbraw/zinc/40/54/02/319405402.db2.gz GNMVMQDFRIKKDX-QUCCMNQESA-N 1 3 344.503 2.512 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@H](N4CCCC4)C3)ccc21 ZINC000571378587 319567538 /nfs/dbraw/zinc/56/75/38/319567538.db2.gz ZQPBVZHHOXFJMW-MJGOQNOKSA-N 1 3 342.487 2.938 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000571908734 319618771 /nfs/dbraw/zinc/61/87/71/319618771.db2.gz AHYJMXDWHRKJLM-FQEVSTJZSA-N 1 3 342.483 2.895 20 0 EFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CNCc3ccccc32)cc1 ZINC000571999589 319626973 /nfs/dbraw/zinc/62/69/73/319626973.db2.gz LBOMFUIRQSNFCY-PMACEKPBSA-N 1 3 337.467 2.813 20 0 EFADHO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NCc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000572009604 319628234 /nfs/dbraw/zinc/62/82/34/319628234.db2.gz JOPXGDZNMRYBOK-RPBQFNSTSA-N 1 3 349.841 2.665 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CCC[NH3+])N(CC)CC)cc1 ZINC000574623607 319878409 /nfs/dbraw/zinc/87/84/09/319878409.db2.gz RIBYIDNXMLCECO-SFHVURJKSA-N 1 3 334.508 2.622 20 0 EFADHO Cc1cccc(NCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000575243653 319937812 /nfs/dbraw/zinc/93/78/12/319937812.db2.gz XDKQIHSTUAVIQF-YLJYHZDGSA-N 1 3 338.455 2.647 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)N2CCCNCC2)CCCC1)c1ccccc1 ZINC000575780606 319953566 /nfs/dbraw/zinc/95/35/66/319953566.db2.gz LMTWPMWGFCVQAY-QGZVFWFLSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[C@H](N)c1ccccc1 ZINC000575921824 319965961 /nfs/dbraw/zinc/96/59/61/319965961.db2.gz TXRQDFRXIQHJLN-JCGIZDLHSA-N 1 3 329.488 2.559 20 0 EFADHO Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000576172858 319990853 /nfs/dbraw/zinc/99/08/53/319990853.db2.gz KZMKIKXJPNQAOX-ROUUACIJSA-N 1 3 345.531 2.928 20 0 EFADHO c1ccc(-c2nnc(CC[NH2+]C3CCN(c4ccncc4)CC3)o2)cc1 ZINC000576300984 320003702 /nfs/dbraw/zinc/00/37/02/320003702.db2.gz ZERMSMNSKQWMGB-UHFFFAOYSA-N 1 3 349.438 2.933 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CC[C@H](C)C3)CC2)CC1 ZINC000576359146 320009426 /nfs/dbraw/zinc/00/94/26/320009426.db2.gz FRBBGEIAVROYHZ-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000576634150 320034032 /nfs/dbraw/zinc/03/40/32/320034032.db2.gz SUZBXIPVOYHMGV-HOTGVXAUSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000576634150 320034036 /nfs/dbraw/zinc/03/40/36/320034036.db2.gz SUZBXIPVOYHMGV-HOTGVXAUSA-N 1 3 329.488 2.818 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000576849455 320054560 /nfs/dbraw/zinc/05/45/60/320054560.db2.gz WHNMCPGSMYWWEA-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CN(CCCN(C)Cc1cnc(C(C)(C)C)s1)CC[NH+](C)C ZINC000576864968 320055549 /nfs/dbraw/zinc/05/55/49/320055549.db2.gz VLTDFHCPDKLAEW-UHFFFAOYSA-N 1 3 326.554 2.756 20 0 EFADHO CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000576886721 320057698 /nfs/dbraw/zinc/05/76/98/320057698.db2.gz NNDAFJYQQOZSDU-ZGXWSNOMSA-N 1 3 331.504 2.526 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@]3(C)CC=CCC3)CC2)CC1 ZINC000577123106 320079569 /nfs/dbraw/zinc/07/95/69/320079569.db2.gz CBIQZQLJTAVDJB-HXUWFJFHSA-N 1 3 333.520 2.798 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1)C1CC1 ZINC000577228311 320091026 /nfs/dbraw/zinc/09/10/26/320091026.db2.gz OFCWJACIKDNPMJ-UHFFFAOYSA-N 1 3 329.488 2.872 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577525403 320119380 /nfs/dbraw/zinc/11/93/80/320119380.db2.gz JFLHWVCNVHURSL-INIZCTEOSA-N 1 3 348.466 2.713 20 0 EFADHO C[C@H](CC[NH+](C)C)NC[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000577602501 320125916 /nfs/dbraw/zinc/12/59/16/320125916.db2.gz CYRUMIASUPUXSO-CKEIUWERSA-N 1 3 328.884 2.708 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+]C2CC2)ccc1OCCN1CCCC1 ZINC000577625888 320129274 /nfs/dbraw/zinc/12/92/74/320129274.db2.gz VWQQFGPWFCZNSJ-UHFFFAOYSA-N 1 3 331.460 2.550 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCCCN1CCN(C)CC1 ZINC000577652923 320131825 /nfs/dbraw/zinc/13/18/25/320131825.db2.gz YHPXUSUPRLLISU-INIZCTEOSA-N 1 3 339.474 2.903 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H](C)C3(C)CC3)CC2)CC1 ZINC000577862551 320152646 /nfs/dbraw/zinc/15/26/46/320152646.db2.gz AYJRASPASJUDEB-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000577955438 320159786 /nfs/dbraw/zinc/15/97/86/320159786.db2.gz TUCOKEVMYHVMSM-IIHSZXCVSA-N 1 3 347.478 2.508 20 0 EFADHO CC(C)(C[NH2+]C[C@H](O)COc1ccc(Cl)cc1)CN1CCCC1 ZINC000578007351 320164106 /nfs/dbraw/zinc/16/41/06/320164106.db2.gz MONJSPPAWPKZNX-INIZCTEOSA-N 1 3 340.895 2.791 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000578226577 320186293 /nfs/dbraw/zinc/18/62/93/320186293.db2.gz DNJXBJOKVPQALP-AEFFLSMTSA-N 1 3 332.492 2.509 20 0 EFADHO CCc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1CC ZINC000578230139 320186432 /nfs/dbraw/zinc/18/64/32/320186432.db2.gz NKKCTEQAWBAVED-UHFFFAOYSA-N 1 3 334.508 2.769 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCCN(CC3CCC3)CC2)cc1 ZINC000578247253 320188793 /nfs/dbraw/zinc/18/87/93/320188793.db2.gz PMTXRKFCMTWPNK-UHFFFAOYSA-N 1 3 343.515 2.739 20 0 EFADHO Clc1cnn2cc(CCN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cnc12 ZINC000578637821 320225162 /nfs/dbraw/zinc/22/51/62/320225162.db2.gz ODWGLNAQBJZUJF-HYVNUMGLSA-N 1 3 347.894 2.826 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000181468204 323235948 /nfs/dbraw/zinc/23/59/48/323235948.db2.gz LBUVOYGCDXKZOE-QZTJIDSGSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)(C)OC(=O)CCCN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000181937552 323255958 /nfs/dbraw/zinc/25/59/58/323255958.db2.gz SQBJYVXOVGSUMC-UHFFFAOYSA-N 1 3 340.508 2.685 20 0 EFADHO C[N@@H+]1CCCN(CCCN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000183558608 323340827 /nfs/dbraw/zinc/34/08/27/323340827.db2.gz GGLQVJSNULRERN-FQEVSTJZSA-N 1 3 327.472 2.986 20 0 EFADHO C[N@H+]1CCCN(CCCN[C@H](c2ccco2)c2ccccc2)CC1 ZINC000183558608 323340832 /nfs/dbraw/zinc/34/08/32/323340832.db2.gz GGLQVJSNULRERN-FQEVSTJZSA-N 1 3 327.472 2.986 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000184696958 323371472 /nfs/dbraw/zinc/37/14/72/323371472.db2.gz QCQAMUJRSGMXPC-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000184969491 323379115 /nfs/dbraw/zinc/37/91/15/323379115.db2.gz FYAUQJNUGAKZSU-LJQANCHMSA-N 1 3 329.488 2.813 20 0 EFADHO Cn1c2ccc(CNCc3ccc(C[NH+](C)C)cc3)cc2sc1=O ZINC000192453850 323474770 /nfs/dbraw/zinc/47/47/70/323474770.db2.gz CUHAXZPXQFMREW-UHFFFAOYSA-N 1 3 341.480 2.951 20 0 EFADHO CC[NH+]1CCC(CN[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000579424022 323951850 /nfs/dbraw/zinc/95/18/50/323951850.db2.gz XPBZSXNDZHQUEI-ZDUSSCGKSA-N 1 3 342.480 2.612 20 0 EFADHO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2(N)CCC2)cc1 ZINC000579588043 323990361 /nfs/dbraw/zinc/99/03/61/323990361.db2.gz SKGJAEKZURVNEJ-UHFFFAOYSA-N 1 3 337.467 2.913 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580292337 324133595 /nfs/dbraw/zinc/13/35/95/324133595.db2.gz DVBUBIOUXPAHMK-VQIMIIECSA-N 1 3 344.503 2.592 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000580409221 324157084 /nfs/dbraw/zinc/15/70/84/324157084.db2.gz HJAYELZWWKSJKW-ICSRJNTNSA-N 1 3 340.471 2.591 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000580525322 324179009 /nfs/dbraw/zinc/17/90/09/324179009.db2.gz SWBURJAYTYKQNT-PWRODBHTSA-N 1 3 338.499 2.995 20 0 EFADHO CCc1[nH+]c2ccccc2c(N[C@@H](C)CN2CCN(C)CC2)c1C ZINC000580602959 324195997 /nfs/dbraw/zinc/19/59/97/324195997.db2.gz PAXLZFSARWTHGX-HNNXBMFYSA-N 1 3 326.488 2.575 20 0 EFADHO CN(C)Cc1ccc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000580713923 324219565 /nfs/dbraw/zinc/21/95/65/324219565.db2.gz DCEQPEHYIZIQHB-UHFFFAOYSA-N 1 3 341.499 2.632 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000580749520 324224998 /nfs/dbraw/zinc/22/49/98/324224998.db2.gz NJHDKHNIRKCRAC-IBGZPJMESA-N 1 3 329.488 2.992 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000580749520 324224999 /nfs/dbraw/zinc/22/49/99/324224999.db2.gz NJHDKHNIRKCRAC-IBGZPJMESA-N 1 3 329.488 2.992 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000580806286 324238415 /nfs/dbraw/zinc/23/84/15/324238415.db2.gz GKMFQRPJUMAKEH-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000580806286 324238420 /nfs/dbraw/zinc/23/84/20/324238420.db2.gz GKMFQRPJUMAKEH-HKUYNNGSSA-N 1 3 346.519 2.530 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000581077411 324300868 /nfs/dbraw/zinc/30/08/68/324300868.db2.gz LLELXAMZAMXUPF-VQIMIIECSA-N 1 3 346.519 2.757 20 0 EFADHO CC1CCN([C@@H](CNC(=O)CC[NH2+]C2CC2)c2cccs2)CC1 ZINC000581320920 324352325 /nfs/dbraw/zinc/35/23/25/324352325.db2.gz SAQACFFNRNUHQG-INIZCTEOSA-N 1 3 335.517 2.779 20 0 EFADHO c1ccc(-c2noc(CCN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000581479228 324387870 /nfs/dbraw/zinc/38/78/70/324387870.db2.gz LSPGIIBJFLDXHG-SJORKVTESA-N 1 3 326.444 2.743 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000581498506 324393680 /nfs/dbraw/zinc/39/36/80/324393680.db2.gz ARZYTIJSENQRPA-CGTJXYLNSA-N 1 3 348.510 2.888 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H](CC1CC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000581602105 324416603 /nfs/dbraw/zinc/41/66/03/324416603.db2.gz ZTPLNGUENNWERB-IAGOWNOFSA-N 1 3 341.421 2.954 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000581606231 324418691 /nfs/dbraw/zinc/41/86/91/324418691.db2.gz ZAEUEDYKBYNZQJ-UHFFFAOYSA-N 1 3 346.519 2.799 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000582903504 324696134 /nfs/dbraw/zinc/69/61/34/324696134.db2.gz DIEPUQIKPKASJR-KBPBESRZSA-N 1 3 340.899 2.539 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000137477444 473207410 /nfs/dbraw/zinc/20/74/10/473207410.db2.gz KSYWZJZVYIASSU-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000137477444 473207414 /nfs/dbraw/zinc/20/74/14/473207414.db2.gz KSYWZJZVYIASSU-MRXNPFEDSA-N 1 3 333.476 2.688 20 0 EFADHO CN(C)CCC[N@H+](C)Cc1ccc(I)cc1 ZINC000088185779 472345359 /nfs/dbraw/zinc/34/53/59/472345359.db2.gz VIJDHXOUUVJFPD-UHFFFAOYSA-N 1 3 332.229 2.675 20 0 EFADHO CN(C)CCC[N@@H+](C)Cc1ccc(I)cc1 ZINC000088185779 472345363 /nfs/dbraw/zinc/34/53/63/472345363.db2.gz VIJDHXOUUVJFPD-UHFFFAOYSA-N 1 3 332.229 2.675 20 0 EFADHO CC(=O)NC[C@H]1CCCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000155636043 472585592 /nfs/dbraw/zinc/58/55/92/472585592.db2.gz WZQHVZWHGHSWNC-HXUWFJFHSA-N 1 3 345.531 2.993 20 0 EFADHO CC(=O)NC[C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000155636043 472585595 /nfs/dbraw/zinc/58/55/95/472585595.db2.gz WZQHVZWHGHSWNC-HXUWFJFHSA-N 1 3 345.531 2.993 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000155641543 472585631 /nfs/dbraw/zinc/58/56/31/472585631.db2.gz FBVYOQFFZLFTEJ-STQMWFEESA-N 1 3 329.410 2.781 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H](C)N1CCN(CC)CC1)CCC2 ZINC000155655525 472589398 /nfs/dbraw/zinc/58/93/98/472589398.db2.gz YTCUTOSDXGUXNV-GJZGRUSLSA-N 1 3 336.549 2.699 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000124218140 473220675 /nfs/dbraw/zinc/22/06/75/473220675.db2.gz APHWGMBFJVBZCV-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000124218140 473220680 /nfs/dbraw/zinc/22/06/80/473220680.db2.gz APHWGMBFJVBZCV-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111819131 473228987 /nfs/dbraw/zinc/22/89/87/473228987.db2.gz ULYBOLFAJBSGKF-GOSISDBHSA-N 1 3 338.540 2.816 20 0 EFADHO C[NH+]1CCC(NC[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000095969347 473234214 /nfs/dbraw/zinc/23/42/14/473234214.db2.gz JUVCXDWFAVLLDI-NRFANRHFSA-N 1 3 340.467 2.983 20 0 EFADHO C[C@@H](CNC(=O)NCCC1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000111855381 473232375 /nfs/dbraw/zinc/23/23/75/473232375.db2.gz UGTCSIWFNSLZCJ-KRWDZBQOSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CCN1C ZINC000163029815 473407266 /nfs/dbraw/zinc/40/72/66/473407266.db2.gz VFEDNPOZTRULEJ-IRXDYDNUSA-N 1 3 325.566 2.810 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000161625187 473249365 /nfs/dbraw/zinc/24/93/65/473249365.db2.gz GFPFJWSAWXMVHE-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000161838105 473269157 /nfs/dbraw/zinc/26/91/57/473269157.db2.gz MTBCNEHAGGRIQL-MRXNPFEDSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694054 468069745 /nfs/dbraw/zinc/06/97/45/468069745.db2.gz BSXJYEGHYBXOSK-GPMSIDNRSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694054 468069749 /nfs/dbraw/zinc/06/97/49/468069749.db2.gz BSXJYEGHYBXOSK-GPMSIDNRSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694055 468070119 /nfs/dbraw/zinc/07/01/19/468070119.db2.gz BSXJYEGHYBXOSK-JTDSTZFVSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694055 468070124 /nfs/dbraw/zinc/07/01/24/468070124.db2.gz BSXJYEGHYBXOSK-JTDSTZFVSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067747 473298566 /nfs/dbraw/zinc/29/85/66/473298566.db2.gz ISDJFVFSJLOKGR-QXAKKESOSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067747 473298570 /nfs/dbraw/zinc/29/85/70/473298570.db2.gz ISDJFVFSJLOKGR-QXAKKESOSA-N 1 3 341.499 2.640 20 0 EFADHO CCN(CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000171157697 473306127 /nfs/dbraw/zinc/30/61/27/473306127.db2.gz KAMJVRYCTBRDOU-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000112739397 473306628 /nfs/dbraw/zinc/30/66/28/473306628.db2.gz GHEVMASQJVJVNS-IBGZPJMESA-N 1 3 344.503 2.561 20 0 EFADHO C[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)N1CCCC1 ZINC000147090295 473306711 /nfs/dbraw/zinc/30/67/11/473306711.db2.gz FWWWYUGPYRPRCY-QGZVFWFLSA-N 1 3 329.488 2.887 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000185092471 473324820 /nfs/dbraw/zinc/32/48/20/473324820.db2.gz OAZMCCANRLOXPB-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000124954716 473331446 /nfs/dbraw/zinc/33/14/46/473331446.db2.gz RAUBFRXHOQEJFL-LJQANCHMSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185197890 473360387 /nfs/dbraw/zinc/36/03/87/473360387.db2.gz WJMNAAKEFNKXAS-MSOLQXFVSA-N 1 3 325.541 2.586 20 0 EFADHO CN(C)Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000177437425 473377872 /nfs/dbraw/zinc/37/78/72/473377872.db2.gz CJNYYLLVWMWWDQ-UHFFFAOYSA-N 1 3 329.488 2.885 20 0 EFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190747323 473382670 /nfs/dbraw/zinc/38/26/70/473382670.db2.gz YHTYGJGUFOAUIE-UHFFFAOYSA-N 1 3 331.504 2.591 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190759452 473386830 /nfs/dbraw/zinc/38/68/30/473386830.db2.gz ZUWKYVMLIJSTJQ-UHFFFAOYSA-N 1 3 331.504 2.593 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000177505692 473390612 /nfs/dbraw/zinc/39/06/12/473390612.db2.gz VYBCUEABAJUBKH-WFXMLNOXSA-N 1 3 346.515 2.931 20 0 EFADHO CC(=O)Nc1cccc(C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000631075020 479879234 /nfs/dbraw/zinc/87/92/34/479879234.db2.gz NBZKYGIRHWDLLJ-HOTGVXAUSA-N 1 3 333.476 2.624 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000388343402 476776792 /nfs/dbraw/zinc/77/67/92/476776792.db2.gz YCORIVMJQGOQEZ-NQIIRXRSSA-N 1 3 349.478 2.512 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CNCc2ccccc21 ZINC000388343402 476776798 /nfs/dbraw/zinc/77/67/98/476776798.db2.gz YCORIVMJQGOQEZ-NQIIRXRSSA-N 1 3 349.478 2.512 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798463 476780946 /nfs/dbraw/zinc/78/09/46/476780946.db2.gz RFBDJUADNOGVHN-HNAYVOBHSA-N 1 3 346.496 2.897 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422798883 476781812 /nfs/dbraw/zinc/78/18/12/476781812.db2.gz TYIFKLAHDFETDF-LALPHHSUSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CN)Oc1ccc(Br)cc1 ZINC000422798883 476781818 /nfs/dbraw/zinc/78/18/18/476781818.db2.gz TYIFKLAHDFETDF-LALPHHSUSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422798882 476781877 /nfs/dbraw/zinc/78/18/77/476781877.db2.gz TYIFKLAHDFETDF-JMSVASOKSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1ccc(Br)cc1 ZINC000422798882 476781883 /nfs/dbraw/zinc/78/18/83/476781883.db2.gz TYIFKLAHDFETDF-JMSVASOKSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CN ZINC000430556178 476857279 /nfs/dbraw/zinc/85/72/79/476857279.db2.gz KAWVJNABQHKZQC-WFASDCNBSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@H]1CN ZINC000430556178 476857288 /nfs/dbraw/zinc/85/72/88/476857288.db2.gz KAWVJNABQHKZQC-WFASDCNBSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@H](C[NH3+])CN[C@H](C)c1ccc(F)c(I)c1 ZINC000423307875 476987622 /nfs/dbraw/zinc/98/76/22/476987622.db2.gz NVNRQHDBYZXAFY-RKDXNWHRSA-N 1 3 336.192 2.676 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000616567237 479947084 /nfs/dbraw/zinc/94/70/84/479947084.db2.gz MFQRWFMSJATZAM-FQEVSTJZSA-N 1 3 343.515 2.810 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCCN(C)C2)CC1 ZINC000631181175 479944498 /nfs/dbraw/zinc/94/44/98/479944498.db2.gz MVONSKUAFUOEDI-KRWDZBQOSA-N 1 3 331.504 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608169101 479952030 /nfs/dbraw/zinc/95/20/30/479952030.db2.gz QXUQOZAJPRPPFI-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608169101 479952041 /nfs/dbraw/zinc/95/20/41/479952041.db2.gz QXUQOZAJPRPPFI-RBUKOAKNSA-N 1 3 329.488 2.594 20 0 EFADHO COC1(C[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000631197305 479954238 /nfs/dbraw/zinc/95/42/38/479954238.db2.gz YSJRQBISFYRTSB-HKUYNNGSSA-N 1 3 332.488 2.540 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682402 472071281 /nfs/dbraw/zinc/07/12/81/472071281.db2.gz PLFHIRMJFZAOSS-HKUYNNGSSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682402 472071286 /nfs/dbraw/zinc/07/12/86/472071286.db2.gz PLFHIRMJFZAOSS-HKUYNNGSSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000067708005 472077141 /nfs/dbraw/zinc/07/71/41/472077141.db2.gz FAHLEMJXIOSZJX-HKUYNNGSSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CNC(=O)NCCN(C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000054760937 472112731 /nfs/dbraw/zinc/11/27/31/472112731.db2.gz PEHWIRLDAYEWLH-GOSISDBHSA-N 1 3 346.519 2.540 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000055174094 472146846 /nfs/dbraw/zinc/14/68/46/472146846.db2.gz VXHBJUBURNDTKZ-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000055208650 472152650 /nfs/dbraw/zinc/15/26/50/472152650.db2.gz KKMHQGOWDVABHP-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO O=C(CC[N@@H+]1CC[C@@H](CN2CCCCC2)C1)NCC1CCCCC1 ZINC000075834294 472203198 /nfs/dbraw/zinc/20/31/98/472203198.db2.gz DEOCTUFIKXEZON-IBGZPJMESA-N 1 3 335.536 2.881 20 0 EFADHO O=C(CC[N@H+]1CC[C@@H](CN2CCCCC2)C1)NCC1CCCCC1 ZINC000075834294 472203203 /nfs/dbraw/zinc/20/32/03/472203203.db2.gz DEOCTUFIKXEZON-IBGZPJMESA-N 1 3 335.536 2.881 20 0 EFADHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000075861241 472208535 /nfs/dbraw/zinc/20/85/35/472208535.db2.gz FGQIPBYFIOAIFV-SFHVURJKSA-N 1 3 329.488 2.772 20 0 EFADHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000075861241 472208541 /nfs/dbraw/zinc/20/85/41/472208541.db2.gz FGQIPBYFIOAIFV-SFHVURJKSA-N 1 3 329.488 2.772 20 0 EFADHO CC(C)[C@H](NCc1ccc(OCC[NH+](C)C)cc1)[C@H](O)C(F)(F)F ZINC000631232436 479973099 /nfs/dbraw/zinc/97/30/99/479973099.db2.gz RRQHWMZKTKULJB-HOTGVXAUSA-N 1 3 348.409 2.664 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000068597306 472217255 /nfs/dbraw/zinc/21/72/55/472217255.db2.gz NKNUDVKPMIZMGR-QGZVFWFLSA-N 1 3 346.519 2.599 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)C)cc1 ZINC000085360582 472238977 /nfs/dbraw/zinc/23/89/77/472238977.db2.gz OUQJMLSJHTWYRH-WMZOPIPTSA-N 1 3 348.535 2.873 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000085390789 472241311 /nfs/dbraw/zinc/24/13/11/472241311.db2.gz IWFGWFNPMRACHW-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000085390789 472241320 /nfs/dbraw/zinc/24/13/20/472241320.db2.gz IWFGWFNPMRACHW-AEFFLSMTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000085406785 472242992 /nfs/dbraw/zinc/24/29/92/472242992.db2.gz WLMPHAVYSRKPBX-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CN(CCC(=O)N1CCCCC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109844 472274363 /nfs/dbraw/zinc/27/43/63/472274363.db2.gz ICGFCCHIISUWTC-HXUWFJFHSA-N 1 3 343.515 2.843 20 0 EFADHO CN(CCC(=O)N1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109844 472274367 /nfs/dbraw/zinc/27/43/67/472274367.db2.gz ICGFCCHIISUWTC-HXUWFJFHSA-N 1 3 343.515 2.843 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000076204884 472298514 /nfs/dbraw/zinc/29/85/14/472298514.db2.gz YFGDIHLJIKCBOC-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000076204884 472298518 /nfs/dbraw/zinc/29/85/18/472298518.db2.gz YFGDIHLJIKCBOC-RTBURBONSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1ccc(CNC(=O)[C@H](C)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000056524029 472332516 /nfs/dbraw/zinc/33/25/16/472332516.db2.gz ZEDRRRCJLDYWGX-KRWDZBQOSA-N 1 3 331.504 2.663 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3C)C[C@@H]2C)CC1 ZINC000076386311 472335910 /nfs/dbraw/zinc/33/59/10/472335910.db2.gz SNVVJSVMLAXAFM-ROUUACIJSA-N 1 3 343.515 2.773 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000045195506 472381251 /nfs/dbraw/zinc/38/12/51/472381251.db2.gz GMIBLQNBAIXWST-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCN1CCCCC1 ZINC000045195506 472381254 /nfs/dbraw/zinc/38/12/54/472381254.db2.gz GMIBLQNBAIXWST-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H](NCC1CC[NH+](CCO)CC1)c1ccccc1Br ZINC000069652982 472389579 /nfs/dbraw/zinc/38/95/79/472389579.db2.gz SMONHFYYQCOOKZ-ZDUSSCGKSA-N 1 3 341.293 2.804 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000089215743 472392672 /nfs/dbraw/zinc/39/26/72/472392672.db2.gz NTWRCQRCPJDVIX-SFHVURJKSA-N 1 3 325.460 2.699 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)NCCCC(C)(C)C)CC2)CC1 ZINC000154129461 472393698 /nfs/dbraw/zinc/39/36/98/472393698.db2.gz GOWZGUBRIRBHAB-UHFFFAOYSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CC([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@H](C)C1 ZINC000128217786 472420409 /nfs/dbraw/zinc/42/04/09/472420409.db2.gz DAOPYRMQDDOWLS-HZPDHXFCSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1cc(F)c(F)c(F)c1 ZINC000154381217 472425710 /nfs/dbraw/zinc/42/57/10/472425710.db2.gz MAHBQNLTBGNOIU-ZDUSSCGKSA-N 1 3 329.410 2.782 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1OC ZINC000128267469 472427032 /nfs/dbraw/zinc/42/70/32/472427032.db2.gz ODAQCDUMNLFJHO-QGZVFWFLSA-N 1 3 349.519 2.690 20 0 EFADHO Cc1ccc(C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)cc1 ZINC000154446946 472435817 /nfs/dbraw/zinc/43/58/17/472435817.db2.gz HCIJHGARKUSXJX-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO C[C@@H](CN1CCOCC1)[N@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000089427753 472436372 /nfs/dbraw/zinc/43/63/72/472436372.db2.gz RJSJKNBGHIJXAC-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO C[C@@H](CN1CCOCC1)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccccc1 ZINC000089427753 472436379 /nfs/dbraw/zinc/43/63/79/472436379.db2.gz RJSJKNBGHIJXAC-FPOVZHCZSA-N 1 3 345.531 2.694 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509257 472453241 /nfs/dbraw/zinc/45/32/41/472453241.db2.gz GZNJVJKRCJKPCV-NJAFHUGGSA-N 1 3 349.519 2.626 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509257 472453248 /nfs/dbraw/zinc/45/32/48/472453248.db2.gz GZNJVJKRCJKPCV-NJAFHUGGSA-N 1 3 349.519 2.626 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2ccc(OC)c(OC)c2)N(C)C)[C@H](C)C1 ZINC000089509257 472453251 /nfs/dbraw/zinc/45/32/51/472453251.db2.gz GZNJVJKRCJKPCV-NJAFHUGGSA-N 1 3 349.519 2.626 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000057605146 472454577 /nfs/dbraw/zinc/45/45/77/472454577.db2.gz DGDVFRJFWUHGMT-UHFFFAOYSA-N 1 3 338.540 2.811 20 0 EFADHO CN(CCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000057618087 472456199 /nfs/dbraw/zinc/45/61/99/472456199.db2.gz SDUDBKJBHUIMEO-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO CN(CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)Cc1ccccc1 ZINC000057618087 472456208 /nfs/dbraw/zinc/45/62/08/472456208.db2.gz SDUDBKJBHUIMEO-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000057700818 472462875 /nfs/dbraw/zinc/46/28/75/472462875.db2.gz RDXFTILFUAPIPA-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000057700818 472462881 /nfs/dbraw/zinc/46/28/81/472462881.db2.gz RDXFTILFUAPIPA-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO O=C(CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000089597464 472463938 /nfs/dbraw/zinc/46/39/38/472463938.db2.gz AXMONIFFCPJTTI-ZWKOTPCHSA-N 1 3 327.472 2.572 20 0 EFADHO O=C(CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000089597464 472463945 /nfs/dbraw/zinc/46/39/45/472463945.db2.gz AXMONIFFCPJTTI-ZWKOTPCHSA-N 1 3 327.472 2.572 20 0 EFADHO C[C@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728255 472493492 /nfs/dbraw/zinc/49/34/92/472493492.db2.gz GUBHRRAYVHIETQ-WFASDCNBSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728255 472493500 /nfs/dbraw/zinc/49/35/00/472493500.db2.gz GUBHRRAYVHIETQ-WFASDCNBSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728254 472494574 /nfs/dbraw/zinc/49/45/74/472494574.db2.gz GUBHRRAYVHIETQ-DOMZBBRYSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCCc1nc(-c2cccc(Cl)c2)no1 ZINC000089728254 472494579 /nfs/dbraw/zinc/49/45/79/472494579.db2.gz GUBHRRAYVHIETQ-DOMZBBRYSA-N 1 3 334.851 2.862 20 0 EFADHO C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)N1CCC(C)CC1 ZINC000128993751 472516215 /nfs/dbraw/zinc/51/62/15/472516215.db2.gz BSNGKMGXLMCRIR-INIZCTEOSA-N 1 3 338.540 2.669 20 0 EFADHO Cc1ccc(-c2ncc(C[NH2+]CC3(O)CCN(C)CC3)s2)cc1 ZINC000077449978 472529103 /nfs/dbraw/zinc/52/91/03/472529103.db2.gz XZNFTFGDTHYFNP-UHFFFAOYSA-N 1 3 331.485 2.665 20 0 EFADHO Cc1cc(C[NH2+]CC2(O)CCN(C)CC2)ccc1Oc1cccnc1 ZINC000077450501 472530349 /nfs/dbraw/zinc/53/03/49/472530349.db2.gz TUKDIHAGTHAFFH-UHFFFAOYSA-N 1 3 341.455 2.729 20 0 EFADHO CC[C@@H](c1ccc(Br)cc1)N(C)CCN1CC[NH2+]CC1 ZINC000071148698 472543283 /nfs/dbraw/zinc/54/32/83/472543283.db2.gz ZUMQOKKOIKISDN-INIZCTEOSA-N 1 3 340.309 2.737 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000129658059 472557003 /nfs/dbraw/zinc/55/70/03/472557003.db2.gz MKMZJHJPLSVUJC-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000155556037 472568311 /nfs/dbraw/zinc/56/83/11/472568311.db2.gz QBEPRSXIEXSOKS-WMLDXEAASA-N 1 3 337.508 2.978 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000077644638 472574484 /nfs/dbraw/zinc/57/44/84/472574484.db2.gz RJOMQZXWXSEJAF-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1c(Cl)cccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000119686722 472576327 /nfs/dbraw/zinc/57/63/27/472576327.db2.gz JFCHUUVGKONPGY-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038548 472584821 /nfs/dbraw/zinc/58/48/21/472584821.db2.gz MXAXMLQYPMUTPA-INIZCTEOSA-N 1 3 343.471 2.682 20 0 EFADHO C[C@@H]1CN(CCC[NH2+]C2CCN(C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000119857891 472593295 /nfs/dbraw/zinc/59/32/95/472593295.db2.gz LLIDOOATQDIUCP-QZTJIDSGSA-N 1 3 337.552 2.872 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000119956254 472607294 /nfs/dbraw/zinc/60/72/94/472607294.db2.gz UKWIITOXKIKNHI-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000119956254 472607300 /nfs/dbraw/zinc/60/73/00/472607300.db2.gz UKWIITOXKIKNHI-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1cc([C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)s1 ZINC000077774802 472608968 /nfs/dbraw/zinc/60/89/68/472608968.db2.gz AYIVYCVYPCSXCP-AWEZNQCLSA-N 1 3 340.537 2.561 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000155768830 472611461 /nfs/dbraw/zinc/61/14/61/472611461.db2.gz JRHBNYLUNJKCKA-UHOSZYNNSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000155768830 472611469 /nfs/dbraw/zinc/61/14/69/472611469.db2.gz JRHBNYLUNJKCKA-UHOSZYNNSA-N 1 3 331.504 2.730 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+](C)C ZINC000120034804 472619406 /nfs/dbraw/zinc/61/94/06/472619406.db2.gz JJKYRUAOERDBHU-LBPRGKRZSA-N 1 3 331.382 2.964 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CCC1 ZINC000077810339 472621297 /nfs/dbraw/zinc/62/12/97/472621297.db2.gz WUHIUDCLWQKQPR-IBGZPJMESA-N 1 3 346.519 2.663 20 0 EFADHO CN(C)[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000059263066 472623745 /nfs/dbraw/zinc/62/37/45/472623745.db2.gz PXMZYMREDYSSJX-LJQANCHMSA-N 1 3 346.519 2.901 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCC(C)CC1)CC(C)C ZINC000071925765 472624824 /nfs/dbraw/zinc/62/48/24/472624824.db2.gz UCESLSUVXYUERL-GOSISDBHSA-N 1 3 340.556 2.774 20 0 EFADHO CCN(CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000155849938 472627042 /nfs/dbraw/zinc/62/70/42/472627042.db2.gz WMZRRXXXJZFKRX-UHFFFAOYSA-N 1 3 333.495 2.907 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c(c1)OCO2 ZINC000090526160 472630898 /nfs/dbraw/zinc/63/08/98/472630898.db2.gz WLHRIJFHKRACSS-WBAXXEDZSA-N 1 3 346.471 2.834 20 0 EFADHO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628743766 480000139 /nfs/dbraw/zinc/00/01/39/480000139.db2.gz ADBDQLGQJJSPJP-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO C[N@H+]1CCCC[C@@H](CNC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000628743766 480000145 /nfs/dbraw/zinc/00/01/45/480000145.db2.gz ADBDQLGQJJSPJP-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000156015088 472656430 /nfs/dbraw/zinc/65/64/30/472656430.db2.gz LRGNYMWAAVUHBK-IBGZPJMESA-N 1 3 329.488 2.547 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000104213820 472662213 /nfs/dbraw/zinc/66/22/13/472662213.db2.gz KTASKOKBYZBTFN-QGZVFWFLSA-N 1 3 349.494 2.742 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000120433539 472687799 /nfs/dbraw/zinc/68/77/99/472687799.db2.gz NQVJXVKGPAKJQK-HFTRVMKXSA-N 1 3 335.517 2.637 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304564 472687924 /nfs/dbraw/zinc/68/79/24/472687924.db2.gz WSLJTZZBXWACHX-UHFFFAOYSA-N 1 3 341.499 2.642 20 0 EFADHO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156384245 472699822 /nfs/dbraw/zinc/69/98/22/472699822.db2.gz QXTZPAMKFFCODT-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CC[N@H+]1CCC[C@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156384245 472699829 /nfs/dbraw/zinc/69/98/29/472699829.db2.gz QXTZPAMKFFCODT-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000072694683 472701190 /nfs/dbraw/zinc/70/11/90/472701190.db2.gz ORLVYCRCQHRUCO-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000156445646 472709374 /nfs/dbraw/zinc/70/93/74/472709374.db2.gz HSLLZDZMTYYWOW-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000156445646 472709380 /nfs/dbraw/zinc/70/93/80/472709380.db2.gz HSLLZDZMTYYWOW-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](C)N(CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000061759866 472718348 /nfs/dbraw/zinc/71/83/48/472718348.db2.gz OPVHJMLYWXSNBN-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)c1ccccc1 ZINC000105083449 472719426 /nfs/dbraw/zinc/71/94/26/472719426.db2.gz PPPNTUQOUPBWSQ-LJQANCHMSA-N 1 3 346.519 2.711 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)[NH+]1CCCC1 ZINC000105105386 472723419 /nfs/dbraw/zinc/72/34/19/472723419.db2.gz CCJXZRIYDSBHDJ-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)N(C)C ZINC000156570170 472726662 /nfs/dbraw/zinc/72/66/62/472726662.db2.gz DDTOESOEUDGDQB-PMACEKPBSA-N 1 3 345.531 2.943 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C(C)C)N(C)C ZINC000156570170 472726665 /nfs/dbraw/zinc/72/66/65/472726665.db2.gz DDTOESOEUDGDQB-PMACEKPBSA-N 1 3 345.531 2.943 20 0 EFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072873829 472731891 /nfs/dbraw/zinc/73/18/91/472731891.db2.gz GNQJZVZTNZQBQJ-KURKYZTESA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873825 472732599 /nfs/dbraw/zinc/73/25/99/472732599.db2.gz GNQJZVZTNZQBQJ-KSZLIROESA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873825 472732602 /nfs/dbraw/zinc/73/26/02/472732602.db2.gz GNQJZVZTNZQBQJ-KSZLIROESA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000062505497 472739150 /nfs/dbraw/zinc/73/91/50/472739150.db2.gz NKNUDVKPMIZMGR-KRWDZBQOSA-N 1 3 346.519 2.599 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000132769470 472753040 /nfs/dbraw/zinc/75/30/40/472753040.db2.gz HGJLYOHKYATPFS-QUCCMNQESA-N 1 3 332.488 2.548 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 ZINC000120835495 472754078 /nfs/dbraw/zinc/75/40/78/472754078.db2.gz NCFLNGJFFMNYMA-FQEVSTJZSA-N 1 3 349.494 2.663 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](Cc1ccccc1)N(C)C)C(C)C ZINC000047683029 472756882 /nfs/dbraw/zinc/75/68/82/472756882.db2.gz YCOPOYVGANRWFU-IBGZPJMESA-N 1 3 348.535 2.577 20 0 EFADHO CC[NH+](CC)CCSCC(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000073035892 472761947 /nfs/dbraw/zinc/76/19/47/472761947.db2.gz FFRXLCGMYUCQOM-INIZCTEOSA-N 1 3 343.581 2.688 20 0 EFADHO CN1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000047751183 472763429 /nfs/dbraw/zinc/76/34/29/472763429.db2.gz VWJIYIFQAONTBQ-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc2c(c1)OCO2 ZINC000133150049 472777454 /nfs/dbraw/zinc/77/74/54/472777454.db2.gz UTXMXLOHKBJNJI-GJZGRUSLSA-N 1 3 332.444 2.567 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000063467380 472779357 /nfs/dbraw/zinc/77/93/57/472779357.db2.gz PBEHQLJTXGQQLN-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000063467380 472779362 /nfs/dbraw/zinc/77/93/62/472779362.db2.gz PBEHQLJTXGQQLN-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105625 472786363 /nfs/dbraw/zinc/78/63/63/472786363.db2.gz GFNCJDHMTANKDP-CKEIUWERSA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105625 472786367 /nfs/dbraw/zinc/78/63/67/472786367.db2.gz GFNCJDHMTANKDP-CKEIUWERSA-N 1 3 336.476 2.573 20 0 EFADHO C[C@@H](N)C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000157223407 472797976 /nfs/dbraw/zinc/79/79/76/472797976.db2.gz QPOHEJYYNQVUQD-LLVKDONJSA-N 1 3 332.275 2.621 20 0 EFADHO CCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000063665730 472798926 /nfs/dbraw/zinc/79/89/26/472798926.db2.gz NNNJTKDDBQSVPY-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CC[NH+](CC)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000073416750 472807257 /nfs/dbraw/zinc/80/72/57/472807257.db2.gz OKSSCDFSHXIVRK-GOSISDBHSA-N 1 3 346.519 2.634 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000121174919 472811504 /nfs/dbraw/zinc/81/15/04/472811504.db2.gz VMHIHNGUVQGWQU-GJZGRUSLSA-N 1 3 325.447 2.889 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000121227809 472820163 /nfs/dbraw/zinc/82/01/63/472820163.db2.gz YPPTXQZBEFRBQH-ZWKOTPCHSA-N 1 3 333.520 2.928 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1C ZINC000073500180 472820825 /nfs/dbraw/zinc/82/08/25/472820825.db2.gz FYCIHHTWKWFAEZ-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1ccccc1C ZINC000073500180 472820828 /nfs/dbraw/zinc/82/08/28/472820828.db2.gz FYCIHHTWKWFAEZ-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO C[C@H](NCc1cccc(OCC[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121291350 472831100 /nfs/dbraw/zinc/83/11/00/472831100.db2.gz WPDHDJCRSDJCLM-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)c1 ZINC000073604930 472837704 /nfs/dbraw/zinc/83/77/04/472837704.db2.gz IFDIUYGLJBZZIV-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCc1cccc(C)c1 ZINC000073604930 472837709 /nfs/dbraw/zinc/83/77/09/472837709.db2.gz IFDIUYGLJBZZIV-LJQANCHMSA-N 1 3 346.519 2.553 20 0 EFADHO C[C@H](CNC(=O)c1cccc(CN2CCCC2)c1)C[NH+]1CCCC1 ZINC000064298718 472841581 /nfs/dbraw/zinc/84/15/81/472841581.db2.gz HDQIHUVDPDZIPB-QGZVFWFLSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@@H](C1CC1)[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157639211 472841667 /nfs/dbraw/zinc/84/16/67/472841667.db2.gz ACVFYTAJAIBKBY-KXBFYZLASA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](C1CC1)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000157639211 472841673 /nfs/dbraw/zinc/84/16/73/472841673.db2.gz ACVFYTAJAIBKBY-KXBFYZLASA-N 1 3 329.488 2.668 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(Cc2ccco2)C2CCN(C)CC2)CC1 ZINC000073638425 472844646 /nfs/dbraw/zinc/84/46/46/472844646.db2.gz UUTPTZHFSUCABP-UHFFFAOYSA-N 1 3 347.503 2.823 20 0 EFADHO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C(C)C)N(C)C)c(C)c2)CC1 ZINC000106426850 472851219 /nfs/dbraw/zinc/85/12/19/472851219.db2.gz VSHWCYSRESUWHB-IBGZPJMESA-N 1 3 346.519 2.662 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccsc1 ZINC000106431652 472851309 /nfs/dbraw/zinc/85/13/09/472851309.db2.gz BUJYXLDRAIWKRM-HZPDHXFCSA-N 1 3 325.522 2.833 20 0 EFADHO C[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000157741472 472854243 /nfs/dbraw/zinc/85/42/43/472854243.db2.gz AKDKKZZIJZWKFJ-AWEZNQCLSA-N 1 3 335.517 2.526 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N(C)C ZINC000106461008 472854235 /nfs/dbraw/zinc/85/42/35/472854235.db2.gz CQPRVFXEPUUNGR-WBVHZDCISA-N 1 3 337.533 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N(C)C ZINC000106461008 472854239 /nfs/dbraw/zinc/85/42/39/472854239.db2.gz CQPRVFXEPUUNGR-WBVHZDCISA-N 1 3 337.533 2.663 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522599 472859235 /nfs/dbraw/zinc/85/92/35/472859235.db2.gz KXURBQIMZUJPLX-HKUYNNGSSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522599 472859237 /nfs/dbraw/zinc/85/92/37/472859237.db2.gz KXURBQIMZUJPLX-HKUYNNGSSA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000073881756 472894117 /nfs/dbraw/zinc/89/41/17/472894117.db2.gz JPINAYHAWQZMAL-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO Cc1csc(=O)n1CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121742621 472905196 /nfs/dbraw/zinc/90/51/96/472905196.db2.gz QKHMKWBUGNEZCB-UHFFFAOYSA-N 1 3 337.533 2.806 20 0 EFADHO CC[C@@]1(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000134582045 472933594 /nfs/dbraw/zinc/93/35/94/472933594.db2.gz DEHHECSKVHSSLA-QAPCUYQASA-N 1 3 335.517 2.609 20 0 EFADHO CC[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134594787 472934474 /nfs/dbraw/zinc/93/44/74/472934474.db2.gz PJJUYJWKHKDCIV-POAQFYNOSA-N 1 3 329.488 2.688 20 0 EFADHO CC[C@]1(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134594766 472934711 /nfs/dbraw/zinc/93/47/11/472934711.db2.gz PJJUYJWKHKDCIV-YVWKXTFCSA-N 1 3 329.488 2.688 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)[C@H](C)C1 ZINC000158563534 472946838 /nfs/dbraw/zinc/94/68/38/472946838.db2.gz TZSFVANMNIXHKN-UXPWSPDFSA-N 1 3 349.494 2.519 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000074181426 472958443 /nfs/dbraw/zinc/95/84/43/472958443.db2.gz RZVWJOUXGCMOHV-HNNXBMFYSA-N 1 3 343.471 2.908 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000074181426 472958450 /nfs/dbraw/zinc/95/84/50/472958450.db2.gz RZVWJOUXGCMOHV-HNNXBMFYSA-N 1 3 343.471 2.908 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000074252997 472971894 /nfs/dbraw/zinc/97/18/94/472971894.db2.gz VIACJMPWDYZIMZ-CQSZACIVSA-N 1 3 329.444 2.661 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)C1 ZINC000092740497 472977062 /nfs/dbraw/zinc/97/70/62/472977062.db2.gz HQGHFLXTSSEPFH-LPHOPBHVSA-N 1 3 331.504 2.748 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000092766646 472982492 /nfs/dbraw/zinc/98/24/92/472982492.db2.gz HNFJZDORJVVYEZ-BEVDRBHNSA-N 1 3 331.504 2.889 20 0 EFADHO COc1ccc([C@H](C)[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000158954077 472982648 /nfs/dbraw/zinc/98/26/48/472982648.db2.gz NUUAGWZUYRBVRG-ZHALLVOQSA-N 1 3 334.504 2.870 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134920817 472989397 /nfs/dbraw/zinc/98/93/97/472989397.db2.gz HRMMASSKPNITGJ-HLAWJBBLSA-N 1 3 344.499 2.513 20 0 EFADHO O[C@H](COCc1ccccc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134920817 472989401 /nfs/dbraw/zinc/98/94/01/472989401.db2.gz HRMMASSKPNITGJ-HLAWJBBLSA-N 1 3 344.499 2.513 20 0 EFADHO Cc1nccn1CC[N@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821063 472991269 /nfs/dbraw/zinc/99/12/69/472991269.db2.gz TYAAFJLYXDJRQG-UHFFFAOYSA-N 1 3 327.476 2.825 20 0 EFADHO Cc1nccn1CC[N@@H+](C)CCC1CCN(c2ccncc2)CC1 ZINC000092821063 472991277 /nfs/dbraw/zinc/99/12/77/472991277.db2.gz TYAAFJLYXDJRQG-UHFFFAOYSA-N 1 3 327.476 2.825 20 0 EFADHO CCN(CC)CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000122524390 473025084 /nfs/dbraw/zinc/02/50/84/473025084.db2.gz POUKENFUTYDCIS-IRXDYDNUSA-N 1 3 331.504 2.601 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3cccs3)c2)C1 ZINC000108420857 473026048 /nfs/dbraw/zinc/02/60/48/473026048.db2.gz RAGFLSZIYKKMOJ-QGZVFWFLSA-N 1 3 343.496 2.735 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3cccs3)c2)C1 ZINC000108420857 473026056 /nfs/dbraw/zinc/02/60/56/473026056.db2.gz RAGFLSZIYKKMOJ-QGZVFWFLSA-N 1 3 343.496 2.735 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122748387 473054525 /nfs/dbraw/zinc/05/45/25/473054525.db2.gz YRVRCDFVADELOR-JKSUJKDBSA-N 1 3 325.497 2.895 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cccc(C(=O)OC)c2)CC1 ZINC000080650871 473063673 /nfs/dbraw/zinc/06/36/73/473063673.db2.gz BMXMAKZZMJPFDH-UHFFFAOYSA-N 1 3 348.487 2.796 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122860772 473066431 /nfs/dbraw/zinc/06/64/31/473066431.db2.gz JDSNJQLCEVBOPY-QXSJWSMHSA-N 1 3 327.513 2.854 20 0 EFADHO CC(C)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122860772 473066432 /nfs/dbraw/zinc/06/64/32/473066432.db2.gz JDSNJQLCEVBOPY-QXSJWSMHSA-N 1 3 327.513 2.854 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000093482983 473113637 /nfs/dbraw/zinc/11/36/37/473113637.db2.gz JOLZCZTUQJLLSP-IEBWSBKVSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000093482983 473113641 /nfs/dbraw/zinc/11/36/41/473113641.db2.gz JOLZCZTUQJLLSP-IEBWSBKVSA-N 1 3 331.504 2.564 20 0 EFADHO CC1CCN([C@H](CNC(=O)NCCC[NH+](C)C)c2ccccc2)CC1 ZINC000052497325 473114475 /nfs/dbraw/zinc/11/44/75/473114475.db2.gz QLEZISMJUASMGV-LJQANCHMSA-N 1 3 346.519 2.711 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644688 473129184 /nfs/dbraw/zinc/12/91/84/473129184.db2.gz JMGNSDRIHVQVIJ-QUCCMNQESA-N 1 3 344.547 2.743 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644688 473129191 /nfs/dbraw/zinc/12/91/91/473129191.db2.gz JMGNSDRIHVQVIJ-QUCCMNQESA-N 1 3 344.547 2.743 20 0 EFADHO COC(=O)[C@@]1(C)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000093814078 473148928 /nfs/dbraw/zinc/14/89/28/473148928.db2.gz RXXDLFPGIQVRPS-FQEVSTJZSA-N 1 3 346.471 2.546 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)CCc2nccs2)CC1 ZINC000093844019 473153608 /nfs/dbraw/zinc/15/36/08/473153608.db2.gz PRUALHUFFQXXKJ-UHFFFAOYSA-N 1 3 344.528 2.960 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)CCc2nccs2)CC1 ZINC000093844019 473153612 /nfs/dbraw/zinc/15/36/12/473153612.db2.gz PRUALHUFFQXXKJ-UHFFFAOYSA-N 1 3 344.528 2.960 20 0 EFADHO C[NH+](C)CCCC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000123637124 473166702 /nfs/dbraw/zinc/16/67/02/473166702.db2.gz FHKNOHRHOXLQGL-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000081256773 473169113 /nfs/dbraw/zinc/16/91/13/473169113.db2.gz UIMOIMKGRSFPNG-QGZVFWFLSA-N 1 3 343.515 2.877 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CCN(C)CC3)cc2)C1 ZINC000081256773 473169117 /nfs/dbraw/zinc/16/91/17/473169117.db2.gz UIMOIMKGRSFPNG-QGZVFWFLSA-N 1 3 343.515 2.877 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000053064738 473180128 /nfs/dbraw/zinc/18/01/28/473180128.db2.gz HNVCRSXFTUBTSM-QGZVFWFLSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000113404735 473392622 /nfs/dbraw/zinc/39/26/22/473392622.db2.gz LSBFHCZDOPJTGU-INIZCTEOSA-N 1 3 338.540 2.859 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](CCc3ccncc3)CC2)C[C@H](C)O1 ZINC000177512522 473393122 /nfs/dbraw/zinc/39/31/22/473393122.db2.gz MPFQQCMRUQPCHI-HDICACEKSA-N 1 3 331.504 2.835 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@H]1CCCOC1)C1CCN(C)CC1 ZINC000177565384 473400721 /nfs/dbraw/zinc/40/07/21/473400721.db2.gz UBVYKTHMXBZTHE-KRWDZBQOSA-N 1 3 331.504 2.733 20 0 EFADHO CC[NH+](CC)CCNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113576273 473403923 /nfs/dbraw/zinc/40/39/23/473403923.db2.gz JVISPRUGKNRVLU-UHFFFAOYSA-N 1 3 346.519 2.634 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)CCN1C ZINC000163029597 473406669 /nfs/dbraw/zinc/40/66/69/473406669.db2.gz VFEDNPOZTRULEJ-DLBZAZTESA-N 1 3 325.566 2.810 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000113611063 473409660 /nfs/dbraw/zinc/40/96/60/473409660.db2.gz DRTHQNWUSLLVIQ-INIZCTEOSA-N 1 3 346.519 2.899 20 0 EFADHO CCN(CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000113611066 473409711 /nfs/dbraw/zinc/40/97/11/473409711.db2.gz DRTHQNWUSLLVIQ-MRXNPFEDSA-N 1 3 346.519 2.899 20 0 EFADHO Cc1nccn1CCCC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000125495629 473418380 /nfs/dbraw/zinc/41/83/80/473418380.db2.gz UVBRZARCDNXQRE-ROUUACIJSA-N 1 3 348.535 2.793 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000125606460 473432329 /nfs/dbraw/zinc/43/23/29/473432329.db2.gz ZFYXBQMCFYSTCH-UONOGXRCSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000125606460 473432333 /nfs/dbraw/zinc/43/23/33/473432333.db2.gz ZFYXBQMCFYSTCH-UONOGXRCSA-N 1 3 343.313 2.746 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000163575286 473456491 /nfs/dbraw/zinc/45/64/91/473456491.db2.gz ARJXIPNRLYAVBN-MAUKXSAKSA-N 1 3 335.517 2.637 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1)C1CC1 ZINC000114399556 473459706 /nfs/dbraw/zinc/45/97/06/473459706.db2.gz GIQLGOKERNAGEA-QGZVFWFLSA-N 1 3 329.488 2.695 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)CC)nc2)[C@@H](C)C1 ZINC000191079622 473473174 /nfs/dbraw/zinc/47/31/74/473473174.db2.gz FKDYQTIQHBZBMB-PKOBYXMFSA-N 1 3 348.535 2.764 20 0 EFADHO C[C@@H](NC[C@H](O)COc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674267 473485083 /nfs/dbraw/zinc/48/50/83/473485083.db2.gz RYZHFPBZUHVSFF-LMMKCTJWSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@@H](NC[C@H](O)COc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185674267 473485090 /nfs/dbraw/zinc/48/50/90/473485090.db2.gz RYZHFPBZUHVSFF-LMMKCTJWSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000185674267 473485097 /nfs/dbraw/zinc/48/50/97/473485097.db2.gz RYZHFPBZUHVSFF-LMMKCTJWSA-N 1 3 332.488 2.669 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185676241 473486580 /nfs/dbraw/zinc/48/65/80/473486580.db2.gz LZEQTYPPKJIAEQ-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676241 473486587 /nfs/dbraw/zinc/48/65/87/473486587.db2.gz LZEQTYPPKJIAEQ-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000185676241 473486590 /nfs/dbraw/zinc/48/65/90/473486590.db2.gz LZEQTYPPKJIAEQ-GGPKGHCWSA-N 1 3 346.515 2.977 20 0 EFADHO CC[C@H](C)CN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171945685 473487460 /nfs/dbraw/zinc/48/74/60/473487460.db2.gz RFZFXSYIBLGLAX-KRWDZBQOSA-N 1 3 331.504 2.877 20 0 EFADHO CC[C@H](NCc1ccc(OCCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000165161947 473507808 /nfs/dbraw/zinc/50/78/08/473507808.db2.gz LSKXVOWXAOGCOX-IBGZPJMESA-N 1 3 330.476 2.992 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCCN2CCCCC2)[C@H](C)C1 ZINC000178409941 473508074 /nfs/dbraw/zinc/50/80/74/473508074.db2.gz YLYHRAFWGUKXNN-RTBURBONSA-N 1 3 325.541 2.589 20 0 EFADHO C[C@@H](C(=O)N1CCN(CCC(C)(C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000165700732 473514501 /nfs/dbraw/zinc/51/45/01/473514501.db2.gz FMZKSFNSMQTLNG-AEFFLSMTSA-N 1 3 331.504 2.903 20 0 EFADHO CN(CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000165930312 473519435 /nfs/dbraw/zinc/51/94/35/473519435.db2.gz RZMPCALUEJLHGY-LJQANCHMSA-N 1 3 325.456 2.715 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000166002999 473520967 /nfs/dbraw/zinc/52/09/67/473520967.db2.gz SKRQFHDEWWPQCP-QFBILLFUSA-N 1 3 347.503 2.821 20 0 EFADHO CC(C)N1CCC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613579255 480043988 /nfs/dbraw/zinc/04/39/88/480043988.db2.gz KBTOYLWMSVIDNE-UXHICEINSA-N 1 3 343.515 2.855 20 0 EFADHO C(Cc1nnc2n1CCCCC2)[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000126518113 473523212 /nfs/dbraw/zinc/52/32/12/473523212.db2.gz LTLIZDWMQDGJQR-UHFFFAOYSA-N 1 3 345.535 2.934 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000126527706 473523281 /nfs/dbraw/zinc/52/32/81/473523281.db2.gz FLBJQLQJAHWDOY-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000126527706 473523287 /nfs/dbraw/zinc/52/32/87/473523287.db2.gz FLBJQLQJAHWDOY-UYAOXDASSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)[NH2+]CCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000166703178 473529471 /nfs/dbraw/zinc/52/94/71/473529471.db2.gz JJHOTYYERPYSDX-UHFFFAOYSA-N 1 3 335.517 2.605 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000126628446 473531971 /nfs/dbraw/zinc/53/19/71/473531971.db2.gz KJHZROXYQJHZCW-KRWDZBQOSA-N 1 3 349.544 2.603 20 0 EFADHO CCn1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000126710307 473538773 /nfs/dbraw/zinc/53/87/73/473538773.db2.gz BSUJLKBCDZPSGO-QGZVFWFLSA-N 1 3 341.503 2.501 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000168631883 473542730 /nfs/dbraw/zinc/54/27/30/473542730.db2.gz SCYZUKAUVMILIY-MNOVXSKESA-N 1 3 330.259 2.991 20 0 EFADHO CC(C)c1ccc([C@@H](C)[NH2+]CCCCN2CCN(CCO)CC2)cc1 ZINC000168889807 473545331 /nfs/dbraw/zinc/54/53/31/473545331.db2.gz DZELFYKSEIPPGT-LJQANCHMSA-N 1 3 347.547 2.851 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152365827 473553343 /nfs/dbraw/zinc/55/33/43/473553343.db2.gz NQFYIIBQQZLSAX-STQMWFEESA-N 1 3 336.867 2.526 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365827 473553352 /nfs/dbraw/zinc/55/33/52/473553352.db2.gz NQFYIIBQQZLSAX-STQMWFEESA-N 1 3 336.867 2.526 20 0 EFADHO Fc1ccc(CCN2CCC([NH2+]C[C@@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000152418755 473560297 /nfs/dbraw/zinc/56/02/97/473560297.db2.gz FROVHVRKKMZXAP-SFHVURJKSA-N 1 3 345.506 2.907 20 0 EFADHO C[C@@H](CC(=O)NCCCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000127075688 473573815 /nfs/dbraw/zinc/57/38/15/473573815.db2.gz LZPBCEJEMQXKLN-PKOBYXMFSA-N 1 3 331.504 2.651 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000178931465 473593155 /nfs/dbraw/zinc/59/31/55/473593155.db2.gz RMAGOGLFNBFPBH-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN(C)C1)CC(C)C ZINC000115793244 473604261 /nfs/dbraw/zinc/60/42/61/473604261.db2.gz NFAQVGAQWYJPHL-MSOLQXFVSA-N 1 3 340.556 2.726 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115811899 473607273 /nfs/dbraw/zinc/60/72/73/473607273.db2.gz HDQQCGVWMAMWDC-IEBWSBKVSA-N 1 3 346.519 2.581 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115811899 473607274 /nfs/dbraw/zinc/60/72/74/473607274.db2.gz HDQQCGVWMAMWDC-IEBWSBKVSA-N 1 3 346.519 2.581 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[N@@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170764253 473607667 /nfs/dbraw/zinc/60/76/67/473607667.db2.gz GSGPIWJKIGYKBP-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170764253 473607670 /nfs/dbraw/zinc/60/76/70/473607670.db2.gz GSGPIWJKIGYKBP-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2CN2CCCO[C@@H](C)C2)CCCO1 ZINC000170764253 473607673 /nfs/dbraw/zinc/60/76/73/473607673.db2.gz GSGPIWJKIGYKBP-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2CN2CCCO[C@@H](C)C2)CCCO1 ZINC000170764253 473607679 /nfs/dbraw/zinc/60/76/79/473607679.db2.gz GSGPIWJKIGYKBP-HDICACEKSA-N 1 3 332.488 2.908 20 0 EFADHO COCC[N@H+](C)CCCN[C@H]1CCc2cc(Br)ccc21 ZINC000153734479 473639052 /nfs/dbraw/zinc/63/90/52/473639052.db2.gz AURIJUSIGGYLHV-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@H]1CCc2cc(Br)ccc21 ZINC000153734479 473639056 /nfs/dbraw/zinc/63/90/56/473639056.db2.gz AURIJUSIGGYLHV-INIZCTEOSA-N 1 3 341.293 2.994 20 0 EFADHO C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000179398621 473684308 /nfs/dbraw/zinc/68/43/08/473684308.db2.gz WLTICRVVJMIFGM-KRWDZBQOSA-N 1 3 331.504 2.828 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000192519170 473688309 /nfs/dbraw/zinc/68/83/09/473688309.db2.gz GADZPKHJZLZPDX-JXFKEZNVSA-N 1 3 332.488 2.922 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000192519183 473688359 /nfs/dbraw/zinc/68/83/59/473688359.db2.gz GADZPKHJZLZPDX-OXQOHEQNSA-N 1 3 332.488 2.922 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000269125860 473702284 /nfs/dbraw/zinc/70/22/84/473702284.db2.gz DTGHNKVRZOZTEW-GOSISDBHSA-N 1 3 333.451 2.961 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262646997 473705400 /nfs/dbraw/zinc/70/54/00/473705400.db2.gz WAEDWSRPPINQOP-LNLFQRSKSA-N 1 3 347.478 2.671 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000262668057 473707501 /nfs/dbraw/zinc/70/75/01/473707501.db2.gz LINKSLPFFQNPAL-PIKOESSRSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000262668723 473707613 /nfs/dbraw/zinc/70/76/13/473707613.db2.gz LUYVLTXLBJDTMW-NZSAHSFTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668056 473708528 /nfs/dbraw/zinc/70/85/28/473708528.db2.gz LINKSLPFFQNPAL-LCLWPZTBSA-N 1 3 343.515 2.791 20 0 EFADHO COc1ccccc1C[C@@H](C)[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192748065 473718156 /nfs/dbraw/zinc/71/81/56/473718156.db2.gz JWFFYFJGVAWXTA-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO COc1ccccc1C[C@@H](C)[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192748065 473718161 /nfs/dbraw/zinc/71/81/61/473718161.db2.gz JWFFYFJGVAWXTA-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](Cc2ccccc2)[C@H](C)CCO)CC1 ZINC000192784146 473724867 /nfs/dbraw/zinc/72/48/67/473724867.db2.gz NHEMKWNJBPWLCF-HXUWFJFHSA-N 1 3 347.547 2.676 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](Cc2ccccc2)[C@H](C)CCO)CC1 ZINC000192784146 473724875 /nfs/dbraw/zinc/72/48/75/473724875.db2.gz NHEMKWNJBPWLCF-HXUWFJFHSA-N 1 3 347.547 2.676 20 0 EFADHO C[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@H]1CCC[NH2+]C1 ZINC000269201977 473730286 /nfs/dbraw/zinc/73/02/86/473730286.db2.gz MXDHBSXJOGXKSW-KBPBESRZSA-N 1 3 329.444 2.612 20 0 EFADHO C[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)[C@@H]1CCC[NH2+]C1 ZINC000269201984 473730398 /nfs/dbraw/zinc/73/03/98/473730398.db2.gz MXDHBSXJOGXKSW-ZIAGYGMSSA-N 1 3 329.444 2.612 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000287695935 473735997 /nfs/dbraw/zinc/73/59/97/473735997.db2.gz NKICSUPPAAKOEV-ZBFHGGJFSA-N 1 3 343.393 2.998 20 0 EFADHO COc1ccc([C@H](CNC(=O)CCCCCC[NH3+])N2CCCC2)cc1 ZINC000269223843 473737491 /nfs/dbraw/zinc/73/74/91/473737491.db2.gz CHSOILMCRQNXHZ-IBGZPJMESA-N 1 3 347.503 2.858 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269238221 473744407 /nfs/dbraw/zinc/74/44/07/473744407.db2.gz OJVCMCJBRMYSQE-VQIMIIECSA-N 1 3 345.487 2.626 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC[C@H]3CCCO3)cc2)C1 ZINC000269238221 473744416 /nfs/dbraw/zinc/74/44/16/473744416.db2.gz OJVCMCJBRMYSQE-VQIMIIECSA-N 1 3 345.487 2.626 20 0 EFADHO CN(C[C@@H]1CC[N@H+](CC[C@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000245749805 473744614 /nfs/dbraw/zinc/74/46/14/473744614.db2.gz YOVCBYMWACLZPQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](CC[C@H]2CCCN2C)C1)C(=O)OC(C)(C)C ZINC000245749805 473744617 /nfs/dbraw/zinc/74/46/17/473744617.db2.gz YOVCBYMWACLZPQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000245749805 473744628 /nfs/dbraw/zinc/74/46/28/473744628.db2.gz YOVCBYMWACLZPQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(C[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000245749805 473744633 /nfs/dbraw/zinc/74/46/33/473744633.db2.gz YOVCBYMWACLZPQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000269238297 473745058 /nfs/dbraw/zinc/74/50/58/473745058.db2.gz PLHHTIODDPDCQJ-MRXNPFEDSA-N 1 3 342.487 2.594 20 0 EFADHO CCCC1CCC(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000179892119 473750106 /nfs/dbraw/zinc/75/01/06/473750106.db2.gz ZEFNFUMEIUVKNG-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269277285 473759775 /nfs/dbraw/zinc/75/97/75/473759775.db2.gz YBKKFDHYBAYXOL-YSHGAJCASA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H]1CCC[C@@H](N2CCC([NH2+]CCCCCS(C)(=O)=O)CC2)C1 ZINC000186855455 473769271 /nfs/dbraw/zinc/76/92/71/473769271.db2.gz RCYNAJVIJGAJAT-FUHWJXTLSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H]1CCC[C@@H]([NH+]2CCC(NCCCCCS(C)(=O)=O)CC2)C1 ZINC000186855455 473769277 /nfs/dbraw/zinc/76/92/77/473769277.db2.gz RCYNAJVIJGAJAT-FUHWJXTLSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)C1 ZINC000246015917 473771712 /nfs/dbraw/zinc/77/17/12/473771712.db2.gz JAJIHAHPVSPPBX-MHORFTMASA-N 1 3 344.565 2.690 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018221 473772000 /nfs/dbraw/zinc/77/20/00/473772000.db2.gz URQNZMKBPFDUQZ-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018221 473772007 /nfs/dbraw/zinc/77/20/07/473772007.db2.gz URQNZMKBPFDUQZ-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246018221 473772013 /nfs/dbraw/zinc/77/20/13/473772013.db2.gz URQNZMKBPFDUQZ-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000246034239 473773443 /nfs/dbraw/zinc/77/34/43/473773443.db2.gz WHXNVNJBGKZCSQ-XHSDSOJGSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000246034239 473773450 /nfs/dbraw/zinc/77/34/50/473773450.db2.gz WHXNVNJBGKZCSQ-XHSDSOJGSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000246034239 473773456 /nfs/dbraw/zinc/77/34/56/473773456.db2.gz WHXNVNJBGKZCSQ-XHSDSOJGSA-N 1 3 325.497 2.563 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246133881 473786543 /nfs/dbraw/zinc/78/65/43/473786543.db2.gz JCCYHMPBPDBJIV-PKOBYXMFSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000246133881 473786551 /nfs/dbraw/zinc/78/65/51/473786551.db2.gz JCCYHMPBPDBJIV-PKOBYXMFSA-N 1 3 346.519 2.663 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000246194202 473796434 /nfs/dbraw/zinc/79/64/34/473796434.db2.gz MQTGAFHJPHLNHD-OKZBNKHCSA-N 1 3 338.540 2.528 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000193838229 473814297 /nfs/dbraw/zinc/81/42/97/473814297.db2.gz LJJGMNNKTLNESN-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000246316765 473825902 /nfs/dbraw/zinc/82/59/02/473825902.db2.gz NVALOORQXWIQNT-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000246316765 473825912 /nfs/dbraw/zinc/82/59/12/473825912.db2.gz NVALOORQXWIQNT-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H](C)CN(C)C ZINC000288037500 473832180 /nfs/dbraw/zinc/83/21/80/473832180.db2.gz OFBABDZEMICZFA-HNNXBMFYSA-N 1 3 340.537 2.552 20 0 EFADHO Cc1ccc(F)cc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180230444 473833851 /nfs/dbraw/zinc/83/38/51/473833851.db2.gz NQVTUTGRHZXRPZ-UHFFFAOYSA-N 1 3 343.446 2.715 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1OC ZINC000173427866 473835573 /nfs/dbraw/zinc/83/55/73/473835573.db2.gz XMGWCTDOUQYDQE-HZPDHXFCSA-N 1 3 348.487 2.855 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490958 473880309 /nfs/dbraw/zinc/88/03/09/473880309.db2.gz RVSCFNDTEOAKOC-ONIAQPFYSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490958 473880314 /nfs/dbraw/zinc/88/03/14/473880314.db2.gz RVSCFNDTEOAKOC-ONIAQPFYSA-N 1 3 349.519 2.625 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)N(C)C)cc1OC ZINC000246490958 473880320 /nfs/dbraw/zinc/88/03/20/473880320.db2.gz RVSCFNDTEOAKOC-ONIAQPFYSA-N 1 3 349.519 2.625 20 0 EFADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180461247 473884000 /nfs/dbraw/zinc/88/40/00/473884000.db2.gz DAEMCIBPRDDZIQ-GBESFXJTSA-N 1 3 343.515 2.649 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)ccc1C ZINC000194374820 473888104 /nfs/dbraw/zinc/88/81/04/473888104.db2.gz GXRPFZZKUAVTOA-MOPGFXCFSA-N 1 3 332.488 2.861 20 0 EFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000173616929 473892032 /nfs/dbraw/zinc/89/20/32/473892032.db2.gz JQPZCDOTNUVIAY-CQSZACIVSA-N 1 3 337.895 2.807 20 0 EFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000173617083 473892418 /nfs/dbraw/zinc/89/24/18/473892418.db2.gz OEHVRCXRSAYJIX-IAGOWNOFSA-N 1 3 331.504 2.757 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)N(C)C)cc1 ZINC000194447987 473899484 /nfs/dbraw/zinc/89/94/84/473899484.db2.gz GBMXTUDJIRZBLU-LJQANCHMSA-N 1 3 329.488 2.588 20 0 EFADHO C[C@@H](CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246552869 473899757 /nfs/dbraw/zinc/89/97/57/473899757.db2.gz YJGLPSGVDSLILA-BBWFWOEESA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(C)C1CC1 ZINC000246552869 473899768 /nfs/dbraw/zinc/89/97/68/473899768.db2.gz YJGLPSGVDSLILA-BBWFWOEESA-N 1 3 338.540 2.526 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000274686843 473921388 /nfs/dbraw/zinc/92/13/88/473921388.db2.gz IPGLZTQCEBYEBM-KRWDZBQOSA-N 1 3 345.531 2.976 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000246708448 473939717 /nfs/dbraw/zinc/93/97/17/473939717.db2.gz GWIKYZVXYOBWDY-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CC1CC[NH+](C)CC1)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000264020196 473940268 /nfs/dbraw/zinc/94/02/68/473940268.db2.gz GEMUJGLXMKACTD-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000246733165 473944640 /nfs/dbraw/zinc/94/46/40/473944640.db2.gz UKWIITOXKIKNHI-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000246733165 473944645 /nfs/dbraw/zinc/94/46/45/473944645.db2.gz UKWIITOXKIKNHI-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CN1Cc1ccccc1 ZINC000194742854 473946588 /nfs/dbraw/zinc/94/65/88/473946588.db2.gz LNELKFIVACVERV-APWZRJJASA-N 1 3 341.499 2.640 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(C)(C)C ZINC000608694985 480071889 /nfs/dbraw/zinc/07/18/89/480071889.db2.gz SMBARTWZOXBETK-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCCC(C)(C)C ZINC000608694985 480071895 /nfs/dbraw/zinc/07/18/95/480071895.db2.gz SMBARTWZOXBETK-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO COc1c(Br)cccc1CNCC1=CC[N@H+](C)CC1 ZINC000274846486 473987059 /nfs/dbraw/zinc/98/70/59/473987059.db2.gz XGMNFFJHOCMZAS-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO COc1c(Br)cccc1CNCC1=CC[N@@H+](C)CC1 ZINC000274846486 473987067 /nfs/dbraw/zinc/98/70/67/473987067.db2.gz XGMNFFJHOCMZAS-UHFFFAOYSA-N 1 3 325.250 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274801349 473965842 /nfs/dbraw/zinc/96/58/42/473965842.db2.gz VHSHIAGKEFUGPK-BPUTZDHNSA-N 1 3 330.394 2.800 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000633957687 480073094 /nfs/dbraw/zinc/07/30/94/480073094.db2.gz OLMTVBIUAVGKNM-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](O)CN1CCCC1 ZINC000288543689 473976551 /nfs/dbraw/zinc/97/65/51/473976551.db2.gz AMEUYSCDRKAKKU-DNVCBOLYSA-N 1 3 327.472 2.900 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246831811 473977407 /nfs/dbraw/zinc/97/74/07/473977407.db2.gz BDQWBLVVZAQMCQ-KXBFYZLASA-N 1 3 330.451 2.874 20 0 EFADHO CC[N@H+]1CC[C@H](NCCc2ccn(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246831811 473977413 /nfs/dbraw/zinc/97/74/13/473977413.db2.gz BDQWBLVVZAQMCQ-KXBFYZLASA-N 1 3 330.451 2.874 20 0 EFADHO CC(C)COc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282205173 473980266 /nfs/dbraw/zinc/98/02/66/473980266.db2.gz CXEWJMFRYJIUHB-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000282212345 473983969 /nfs/dbraw/zinc/98/39/69/473983969.db2.gz OMQHPSKXJHFLMH-SFTDATJTSA-N 1 3 345.531 2.729 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000282212340 473984074 /nfs/dbraw/zinc/98/40/74/473984074.db2.gz OMQHPSKXJHFLMH-LEWJYISDSA-N 1 3 345.531 2.729 20 0 EFADHO COc1cccc(C[C@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c1 ZINC000282217582 473985173 /nfs/dbraw/zinc/98/51/73/473985173.db2.gz HSMKCBXIEHKBNK-FQEVSTJZSA-N 1 3 345.531 2.632 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000282215957 473985427 /nfs/dbraw/zinc/98/54/27/473985427.db2.gz HPYMYUCWIVDVII-LJQANCHMSA-N 1 3 331.504 2.688 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCC2 ZINC000282215954 473985565 /nfs/dbraw/zinc/98/55/65/473985565.db2.gz HPYMYUCWIVDVII-IBGZPJMESA-N 1 3 331.504 2.688 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cnc(-c3ccco3)s2)CC1(C)C ZINC000282285779 474009787 /nfs/dbraw/zinc/00/97/87/474009787.db2.gz INXFVBMCLKFBFZ-UHFFFAOYSA-N 1 3 334.489 2.519 20 0 EFADHO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000282313962 474019133 /nfs/dbraw/zinc/01/91/33/474019133.db2.gz UALUBFBDBCPMSE-PZJWPPBQSA-N 1 3 346.515 2.938 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)c(F)c(F)c1 ZINC000282350151 474033636 /nfs/dbraw/zinc/03/36/36/474033636.db2.gz PGUYOFVERCFXAR-GFCCVEGCSA-N 1 3 329.410 2.781 20 0 EFADHO CCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OCC ZINC000282365591 474039657 /nfs/dbraw/zinc/03/96/57/474039657.db2.gz NNWGUADAMUJEBH-UHFFFAOYSA-N 1 3 349.519 2.600 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCCC2 ZINC000181493434 474040200 /nfs/dbraw/zinc/04/02/00/474040200.db2.gz NKJSFLPIZGDRND-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(-n2cccn2)cc1 ZINC000282387455 474047316 /nfs/dbraw/zinc/04/73/16/474047316.db2.gz QZHQZXCVEWVGIP-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO CN1CCN(CC[NH2+]CCCCCOc2ccccc2)CC1(C)C ZINC000282397419 474049628 /nfs/dbraw/zinc/04/96/28/474049628.db2.gz RLEAZFSGUXKASL-UHFFFAOYSA-N 1 3 333.520 2.851 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H](N2CCCCC2)C1 ZINC000264609641 474057396 /nfs/dbraw/zinc/05/73/96/474057396.db2.gz ZEZVFSWEELSXHP-FQEVSTJZSA-N 1 3 341.499 2.983 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000247083499 474059064 /nfs/dbraw/zinc/05/90/64/474059064.db2.gz OYWWCPDUKKKABD-BPLDGKMQSA-N 1 3 346.393 2.517 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000247083499 474059070 /nfs/dbraw/zinc/05/90/70/474059070.db2.gz OYWWCPDUKKKABD-BPLDGKMQSA-N 1 3 346.393 2.517 20 0 EFADHO Cc1cccc(-c2n[nH]cc2C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000282421425 474060675 /nfs/dbraw/zinc/06/06/75/474060675.db2.gz QVZYVEWMDSHEMF-UHFFFAOYSA-N 1 3 341.503 2.501 20 0 EFADHO Cc1cccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1C ZINC000195341771 474061265 /nfs/dbraw/zinc/06/12/65/474061265.db2.gz IEVROALEEHRGTK-UHFFFAOYSA-N 1 3 344.503 2.984 20 0 EFADHO Cc1cc(F)ccc1NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000195343111 474062214 /nfs/dbraw/zinc/06/22/14/474062214.db2.gz JIAHRIKSGWYFLH-UHFFFAOYSA-N 1 3 348.466 2.814 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000195363922 474066501 /nfs/dbraw/zinc/06/65/01/474066501.db2.gz AQPQTPJAOMTVKH-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000195363922 474066506 /nfs/dbraw/zinc/06/65/06/474066506.db2.gz AQPQTPJAOMTVKH-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)[C@@H](C)C1 ZINC000247112844 474066574 /nfs/dbraw/zinc/06/65/74/474066574.db2.gz TZSFVANMNIXHKN-FFZOFVMBSA-N 1 3 349.494 2.519 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC1 ZINC000282469938 474077389 /nfs/dbraw/zinc/07/73/89/474077389.db2.gz PHASEJSFAUCQRL-SFHVURJKSA-N 1 3 330.476 2.755 20 0 EFADHO C[C@@H](NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccs1 ZINC000182013169 474081861 /nfs/dbraw/zinc/08/18/61/474081861.db2.gz BUFDBDKKTWHVFN-GDBMZVCRSA-N 1 3 331.485 2.818 20 0 EFADHO CN(CCNC(=O)c1ccc(C[NH+](C)C)cc1)Cc1ccccc1 ZINC000195486038 474082582 /nfs/dbraw/zinc/08/25/82/474082582.db2.gz LPZGOMNCQRLDGI-UHFFFAOYSA-N 1 3 325.456 2.610 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccccc2F)CC1 ZINC000174755012 474091266 /nfs/dbraw/zinc/09/12/66/474091266.db2.gz IZYRDWJJATWENU-UHFFFAOYSA-N 1 3 349.494 2.836 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247228673 474095010 /nfs/dbraw/zinc/09/50/10/474095010.db2.gz WUQQJXNMNSPLCU-SXLOBPIMSA-N 1 3 343.515 2.540 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)[C@@H](C)C1 ZINC000247228673 474095012 /nfs/dbraw/zinc/09/50/12/474095012.db2.gz WUQQJXNMNSPLCU-SXLOBPIMSA-N 1 3 343.515 2.540 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174961138 474123283 /nfs/dbraw/zinc/12/32/83/474123283.db2.gz BCHIFBIDVAPMRZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174961138 474123289 /nfs/dbraw/zinc/12/32/89/474123289.db2.gz BCHIFBIDVAPMRZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000182271523 474138581 /nfs/dbraw/zinc/13/85/81/474138581.db2.gz RRYJGGVLIRGCBG-FHWLQOOXSA-N 1 3 332.488 2.546 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000220771804 474157155 /nfs/dbraw/zinc/15/71/55/474157155.db2.gz BZJFNOGNBCSREY-INIZCTEOSA-N 1 3 325.497 2.848 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000223376542 474184427 /nfs/dbraw/zinc/18/44/27/474184427.db2.gz GNYLVRVLLXNQJM-MRXNPFEDSA-N 1 3 325.497 2.848 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CNCC1CC[NH+](C2CC2)CC1 ZINC000282762417 474185131 /nfs/dbraw/zinc/18/51/31/474185131.db2.gz VZEVQKMJIDXSDW-UHFFFAOYSA-N 1 3 339.487 2.848 20 0 EFADHO CC(C)[NH+](CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000289220272 474188005 /nfs/dbraw/zinc/18/80/05/474188005.db2.gz CLKPRWOVBNUBBI-MSOLQXFVSA-N 1 3 346.471 2.916 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000223820892 474190654 /nfs/dbraw/zinc/19/06/54/474190654.db2.gz JQMGNKYARKFJRV-MRXNPFEDSA-N 1 3 325.497 2.754 20 0 EFADHO O[C@@H]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)C1 ZINC000282780641 474191065 /nfs/dbraw/zinc/19/10/65/474191065.db2.gz POEJVGLXIVNTQX-WOJBJXKFSA-N 1 3 344.499 2.692 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289244710 474194986 /nfs/dbraw/zinc/19/49/86/474194986.db2.gz ZZHQBGXXNQEFRP-NXHRZFHOSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289244710 474194992 /nfs/dbraw/zinc/19/49/92/474194992.db2.gz ZZHQBGXXNQEFRP-NXHRZFHOSA-N 1 3 344.455 2.672 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289269246 474204823 /nfs/dbraw/zinc/20/48/23/474204823.db2.gz NIHZXBRPFPDEOL-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000289269246 474204827 /nfs/dbraw/zinc/20/48/27/474204827.db2.gz NIHZXBRPFPDEOL-VQTJNVASSA-N 1 3 332.488 2.766 20 0 EFADHO O=C(Nc1ccc(O)cc1)C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000275502189 474211120 /nfs/dbraw/zinc/21/11/20/474211120.db2.gz VEKJDQUNONOWOV-UHFFFAOYSA-N 1 3 345.487 2.919 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCCF)cc1 ZINC000282836942 474212375 /nfs/dbraw/zinc/21/23/75/474212375.db2.gz VWNHKMAWXNGYCS-IEBWSBKVSA-N 1 3 349.494 2.986 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000275552772 474232666 /nfs/dbraw/zinc/23/26/66/474232666.db2.gz AECVKRWAXKYBLC-KRWDZBQOSA-N 1 3 344.503 2.740 20 0 EFADHO C[C@@H](CC(=O)NCCCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000247978986 474236875 /nfs/dbraw/zinc/23/68/75/474236875.db2.gz LZPBCEJEMQXKLN-HKUYNNGSSA-N 1 3 331.504 2.651 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226683349 474242849 /nfs/dbraw/zinc/24/28/49/474242849.db2.gz XOVUYBHGRKYQML-OAHLLOKOSA-N 1 3 325.497 2.706 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275592438 474245257 /nfs/dbraw/zinc/24/52/57/474245257.db2.gz FRZVJQAUFOKWAC-MSOLQXFVSA-N 1 3 330.476 2.539 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000275592438 474245264 /nfs/dbraw/zinc/24/52/64/474245264.db2.gz FRZVJQAUFOKWAC-MSOLQXFVSA-N 1 3 330.476 2.539 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000227878159 474247462 /nfs/dbraw/zinc/24/74/62/474247462.db2.gz GCLMPTUXXPGRNR-INIZCTEOSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265561636 474253838 /nfs/dbraw/zinc/25/38/38/474253838.db2.gz FSFGJZZFKDNQFM-GOSISDBHSA-N 1 3 331.460 2.816 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 ZINC000265561636 474253843 /nfs/dbraw/zinc/25/38/43/474253843.db2.gz FSFGJZZFKDNQFM-GOSISDBHSA-N 1 3 331.460 2.816 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275636074 474260620 /nfs/dbraw/zinc/26/06/20/474260620.db2.gz LHBXRBKMESSWAI-KRWDZBQOSA-N 1 3 332.492 2.739 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccncc1 ZINC000289454123 474277500 /nfs/dbraw/zinc/27/75/00/474277500.db2.gz NPUVYEPQPTWKEV-UHFFFAOYSA-N 1 3 327.476 2.790 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1cn(C)nc1-c1ccncc1 ZINC000289454123 474277509 /nfs/dbraw/zinc/27/75/09/474277509.db2.gz NPUVYEPQPTWKEV-UHFFFAOYSA-N 1 3 327.476 2.790 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000236694144 474281287 /nfs/dbraw/zinc/28/12/87/474281287.db2.gz XLPOHJWNQDWUFS-LJQANCHMSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000236694144 474281295 /nfs/dbraw/zinc/28/12/95/474281295.db2.gz XLPOHJWNQDWUFS-LJQANCHMSA-N 1 3 331.504 2.730 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000265664650 474288109 /nfs/dbraw/zinc/28/81/09/474288109.db2.gz CMUJNGOMFWRSJW-QRQLOZEOSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000265664650 474288114 /nfs/dbraw/zinc/28/81/14/474288114.db2.gz CMUJNGOMFWRSJW-QRQLOZEOSA-N 1 3 329.488 2.592 20 0 EFADHO CCOc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)ccc1OC ZINC000289477039 474288813 /nfs/dbraw/zinc/28/88/13/474288813.db2.gz QACPFEZNUCCIHM-UHFFFAOYSA-N 1 3 349.519 2.552 20 0 EFADHO Cc1c[nH]nc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000289489527 474293024 /nfs/dbraw/zinc/29/30/24/474293024.db2.gz KVFRAGHLBFONFH-UHFFFAOYSA-N 1 3 342.487 2.879 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1cccc(OC)c1 ZINC000236873433 474294461 /nfs/dbraw/zinc/29/44/61/474294461.db2.gz PTXUPRGVNXPSOK-GOSISDBHSA-N 1 3 347.503 2.713 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000236894541 474296751 /nfs/dbraw/zinc/29/67/51/474296751.db2.gz SFQJYHRKPFGFPS-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(N)CCCC1 ZINC000236894541 474296769 /nfs/dbraw/zinc/29/67/69/474296769.db2.gz SFQJYHRKPFGFPS-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175754138 474299155 /nfs/dbraw/zinc/29/91/55/474299155.db2.gz HIUBLUNBTGSHLW-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000236913944 474301024 /nfs/dbraw/zinc/30/10/24/474301024.db2.gz QUULKGQCFIRNSD-IPFAQRCESA-N 1 3 329.488 2.672 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000236913944 474301030 /nfs/dbraw/zinc/30/10/30/474301030.db2.gz QUULKGQCFIRNSD-IPFAQRCESA-N 1 3 329.488 2.672 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236909111 474301675 /nfs/dbraw/zinc/30/16/75/474301675.db2.gz ARMQHFUGZACVTB-SJLPKXTDSA-N 1 3 335.467 2.671 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236919569 474302579 /nfs/dbraw/zinc/30/25/79/474302579.db2.gz ARMQHFUGZACVTB-FUHWJXTLSA-N 1 3 335.467 2.671 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000248393821 474304038 /nfs/dbraw/zinc/30/40/38/474304038.db2.gz HECWXMDCEYDJGG-BHIYHBOVSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000248393821 474304042 /nfs/dbraw/zinc/30/40/42/474304042.db2.gz HECWXMDCEYDJGG-BHIYHBOVSA-N 1 3 329.488 2.670 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](N)Cc2ccccc2)c1 ZINC000236923792 474305563 /nfs/dbraw/zinc/30/55/63/474305563.db2.gz DLMPPQNAPVSTFS-HXUWFJFHSA-N 1 3 339.483 2.715 20 0 EFADHO Cc1cc(NC(=O)/C=C/CN(C)C)ccc1OCC[NH+]1CCCC1 ZINC000265718075 474307427 /nfs/dbraw/zinc/30/74/27/474307427.db2.gz XYHCXVDWNYLYPN-VOTSOKGWSA-N 1 3 331.460 2.526 20 0 EFADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248403002 474309150 /nfs/dbraw/zinc/30/91/50/474309150.db2.gz NZIZQJHNODFGBC-VAMGGRTRSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403002 474309156 /nfs/dbraw/zinc/30/91/56/474309156.db2.gz NZIZQJHNODFGBC-VAMGGRTRSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403002 474309162 /nfs/dbraw/zinc/30/91/62/474309162.db2.gz NZIZQJHNODFGBC-VAMGGRTRSA-N 1 3 343.515 2.793 20 0 EFADHO CS[C@@H]1CCCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402049 474309363 /nfs/dbraw/zinc/30/93/63/474309363.db2.gz UEWVWBZTYOQDFH-QZTJIDSGSA-N 1 3 349.544 2.623 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000248407284 474310511 /nfs/dbraw/zinc/31/05/11/474310511.db2.gz CUDSQEJIVOTKIE-LELZANKISA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248407284 474310518 /nfs/dbraw/zinc/31/05/18/474310518.db2.gz CUDSQEJIVOTKIE-LELZANKISA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H](CO[C@@H]1CCOC1)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248407284 474310524 /nfs/dbraw/zinc/31/05/24/474310524.db2.gz CUDSQEJIVOTKIE-LELZANKISA-N 1 3 344.499 2.681 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289541439 474315381 /nfs/dbraw/zinc/31/53/81/474315381.db2.gz PHFSBNVPUVJWHB-UHFFFAOYSA-N 1 3 346.393 2.736 20 0 EFADHO CN(C/C=C/c1ccc(F)c(F)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000289547285 474318049 /nfs/dbraw/zinc/31/80/49/474318049.db2.gz XJAOGNUDYFEBAA-SNAWJCMRSA-N 1 3 337.458 2.936 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)CCCCN3)cc21 ZINC000237001496 474320590 /nfs/dbraw/zinc/32/05/90/474320590.db2.gz ZGHFSPHKKDWFLK-IBGZPJMESA-N 1 3 328.460 2.674 20 0 EFADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@@H+]1C ZINC000183079201 474322066 /nfs/dbraw/zinc/32/20/66/474322066.db2.gz GVCXUMFYFRCAPK-JXFKEZNVSA-N 1 3 331.504 2.786 20 0 EFADHO C[C@H]1C[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)CC[N@H+]1C ZINC000183079201 474322073 /nfs/dbraw/zinc/32/20/73/474322073.db2.gz GVCXUMFYFRCAPK-JXFKEZNVSA-N 1 3 331.504 2.786 20 0 EFADHO CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000237014885 474322426 /nfs/dbraw/zinc/32/24/26/474322426.db2.gz GLICQWZBIBRPMG-RDTXWAMCSA-N 1 3 333.476 2.782 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237038581 474327249 /nfs/dbraw/zinc/32/72/49/474327249.db2.gz OUQBQCIAHXBNTJ-IBGZPJMESA-N 1 3 325.456 2.845 20 0 EFADHO C[N@H+](CCCNC(=O)C[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000237068067 474330506 /nfs/dbraw/zinc/33/05/06/474330506.db2.gz CNAOCAQILPWLIF-LJQANCHMSA-N 1 3 325.456 2.715 20 0 EFADHO C[N@@H+](CCCNC(=O)C[C@@H](N)c1ccccc1)Cc1ccccc1 ZINC000237068067 474330514 /nfs/dbraw/zinc/33/05/14/474330514.db2.gz CNAOCAQILPWLIF-LJQANCHMSA-N 1 3 325.456 2.715 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237062247 474330799 /nfs/dbraw/zinc/33/07/99/474330799.db2.gz OPXWXJZAIFTPDI-PBWFPOADSA-N 1 3 327.428 2.507 20 0 EFADHO OCCCSCC[NH2+][C@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000183139581 474336835 /nfs/dbraw/zinc/33/68/35/474336835.db2.gz FYFHRULVMZHNPO-ZCNNSNEGSA-N 1 3 348.556 2.992 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](N)Cc2ccccc2)cc1 ZINC000237108875 474340651 /nfs/dbraw/zinc/34/06/51/474340651.db2.gz MTUJEXQGOOWXML-LJQANCHMSA-N 1 3 341.455 2.526 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000237170719 474351246 /nfs/dbraw/zinc/35/12/46/474351246.db2.gz FFPMURFOVFWPBB-UHFFFAOYSA-N 1 3 344.503 2.911 20 0 EFADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@H+](C)C1CC1 ZINC000175965316 474351441 /nfs/dbraw/zinc/35/14/41/474351441.db2.gz GYZXHFAGCQBJHJ-ZDUSSCGKSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)[N@@H+](C)C1CC1 ZINC000175965316 474351446 /nfs/dbraw/zinc/35/14/46/474351446.db2.gz GYZXHFAGCQBJHJ-ZDUSSCGKSA-N 1 3 329.444 2.707 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000237187160 474353730 /nfs/dbraw/zinc/35/37/30/474353730.db2.gz HOZGLPTWPMGYQV-GOSISDBHSA-N 1 3 331.504 2.730 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000237187160 474353736 /nfs/dbraw/zinc/35/37/36/474353736.db2.gz HOZGLPTWPMGYQV-GOSISDBHSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(CCCCC[N@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000265832342 474353710 /nfs/dbraw/zinc/35/37/10/474353710.db2.gz LBUQSSVHHYXXCY-UHFFFAOYSA-N 1 3 346.523 2.668 20 0 EFADHO CCN(CCCCC[N@@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000265832342 474353717 /nfs/dbraw/zinc/35/37/17/474353717.db2.gz LBUQSSVHHYXXCY-UHFFFAOYSA-N 1 3 346.523 2.668 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248554351 474355095 /nfs/dbraw/zinc/35/50/95/474355095.db2.gz KAVRDQVOUIGLSH-FXAWDEMLSA-N 1 3 342.483 2.964 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248554351 474355098 /nfs/dbraw/zinc/35/50/98/474355098.db2.gz KAVRDQVOUIGLSH-FXAWDEMLSA-N 1 3 342.483 2.964 20 0 EFADHO C[NH2+]CCCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000237198611 474355381 /nfs/dbraw/zinc/35/53/81/474355381.db2.gz HPIUJWRXJBQRKW-SFHVURJKSA-N 1 3 331.504 2.575 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189319075 474358419 /nfs/dbraw/zinc/35/84/19/474358419.db2.gz RJFHYMXVZFYGMG-CQSZACIVSA-N 1 3 327.875 2.842 20 0 EFADHO C[NH2+]CCCC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000237212396 474359251 /nfs/dbraw/zinc/35/92/51/474359251.db2.gz HPIUJWRXJBQRKW-GOSISDBHSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000265846571 474360614 /nfs/dbraw/zinc/36/06/14/474360614.db2.gz OYGMWGBBYCXXKX-XLIONFOSSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@@H]1C[C@@H](N(C)CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000265846571 474360619 /nfs/dbraw/zinc/36/06/19/474360619.db2.gz OYGMWGBBYCXXKX-XLIONFOSSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248593655 474370030 /nfs/dbraw/zinc/37/00/30/474370030.db2.gz RYZHFPBZUHVSFF-JENIJYKNSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H](NC[C@@H](O)COc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248593655 474370039 /nfs/dbraw/zinc/37/00/39/474370039.db2.gz RYZHFPBZUHVSFF-JENIJYKNSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@H]1CCCN(C2CCC2)C1 ZINC000248593655 474370044 /nfs/dbraw/zinc/37/00/44/474370044.db2.gz RYZHFPBZUHVSFF-JENIJYKNSA-N 1 3 332.488 2.669 20 0 EFADHO C[C@@H](CC1CCCCC1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000183305198 474371728 /nfs/dbraw/zinc/37/17/28/474371728.db2.gz UZFNKURFXHIMOV-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000289673419 474372382 /nfs/dbraw/zinc/37/23/82/474372382.db2.gz AKCFZCOUXNTSCC-LEAZDLGRSA-N 1 3 343.515 2.790 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289698373 474382049 /nfs/dbraw/zinc/38/20/49/474382049.db2.gz IMLIFZQUNFGWJX-OKZBNKHCSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289698373 474382055 /nfs/dbraw/zinc/38/20/55/474382055.db2.gz IMLIFZQUNFGWJX-OKZBNKHCSA-N 1 3 342.512 2.889 20 0 EFADHO Cc1nnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)s1 ZINC000289698373 474382063 /nfs/dbraw/zinc/38/20/63/474382063.db2.gz IMLIFZQUNFGWJX-OKZBNKHCSA-N 1 3 342.512 2.889 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000237368837 474391323 /nfs/dbraw/zinc/39/13/23/474391323.db2.gz IEZPHKUFBLWYBG-QGZVFWFLSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000237383905 474392972 /nfs/dbraw/zinc/39/29/72/474392972.db2.gz UIARPAJLCNIQDW-WBVHZDCISA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649332 474393530 /nfs/dbraw/zinc/39/35/30/474393530.db2.gz RKWDSQQBAUVHBR-ZJIFWQFVSA-N 1 3 325.497 2.895 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000248649332 474393536 /nfs/dbraw/zinc/39/35/36/474393536.db2.gz RKWDSQQBAUVHBR-ZJIFWQFVSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000265938181 474394233 /nfs/dbraw/zinc/39/42/33/474394233.db2.gz GTGPYGWZPGICRL-VQIMIIECSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CC[NH2+]CC1 ZINC000237400080 474396161 /nfs/dbraw/zinc/39/61/61/474396161.db2.gz DRVQIAVZBAOHLV-YLJYHZDGSA-N 1 3 343.515 2.966 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCCN(C)CCCOC)cc1)C(C)C ZINC000265956141 474400950 /nfs/dbraw/zinc/40/09/50/474400950.db2.gz DZTHAVIUMMDMEJ-UHFFFAOYSA-N 1 3 349.519 2.615 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCCN(C)CCCOC)cc1)C(C)C ZINC000265956141 474400954 /nfs/dbraw/zinc/40/09/54/474400954.db2.gz DZTHAVIUMMDMEJ-UHFFFAOYSA-N 1 3 349.519 2.615 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCN(C)C)CC1 ZINC000176197313 474407091 /nfs/dbraw/zinc/40/70/91/474407091.db2.gz KKWPOOLGPPLGTK-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@H](CCNC(=O)[C@@H](N)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237457284 474408091 /nfs/dbraw/zinc/40/80/91/474408091.db2.gz NGNQUPILNJRHNB-XLIONFOSSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@H](CCNC(=O)[C@@H](N)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237457284 474408102 /nfs/dbraw/zinc/40/81/02/474408102.db2.gz NGNQUPILNJRHNB-XLIONFOSSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@H](CCNC(=O)[C@H](N)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000237458892 474409635 /nfs/dbraw/zinc/40/96/35/474409635.db2.gz NGNQUPILNJRHNB-YLJYHZDGSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@H](CCNC(=O)[C@H](N)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237458892 474409642 /nfs/dbraw/zinc/40/96/42/474409642.db2.gz NGNQUPILNJRHNB-YLJYHZDGSA-N 1 3 339.483 2.583 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CNC2CC2)C1 ZINC000237467554 474410431 /nfs/dbraw/zinc/41/04/31/474410431.db2.gz GNRHOZKACLYXNM-HZPDHXFCSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H](C(=O)N(C)C1CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237478994 474413949 /nfs/dbraw/zinc/41/39/49/474413949.db2.gz LEJOQFJXUYJWIS-KRWDZBQOSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000237562933 474429691 /nfs/dbraw/zinc/42/96/91/474429691.db2.gz AJRQVYQYCGKQHX-FXAWDEMLSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[C@H](N)c1ccccc1 ZINC000237563612 474430383 /nfs/dbraw/zinc/43/03/83/474430383.db2.gz QGDBWEJKOJPPEJ-KXBFYZLASA-N 1 3 329.488 2.846 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000237646068 474448209 /nfs/dbraw/zinc/44/82/09/474448209.db2.gz YECUQSAPTIVESA-VQIMIIECSA-N 1 3 331.504 2.740 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000289858796 474458689 /nfs/dbraw/zinc/45/86/89/474458689.db2.gz BOHKKPBGAQPILU-YOEHRIQHSA-N 1 3 336.451 2.912 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000289858796 474458695 /nfs/dbraw/zinc/45/86/95/474458695.db2.gz BOHKKPBGAQPILU-YOEHRIQHSA-N 1 3 336.451 2.912 20 0 EFADHO Cc1cc(NC(=O)CC2([NH3+])CCC2)ccc1OCCN1CCCC1 ZINC000237696405 474460132 /nfs/dbraw/zinc/46/01/32/474460132.db2.gz HRVLJFUPFAREOS-UHFFFAOYSA-N 1 3 331.460 2.680 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1CCN(C)C ZINC000276251383 474468851 /nfs/dbraw/zinc/46/88/51/474468851.db2.gz VKIJPMNWWGYIRD-UHFFFAOYSA-N 1 3 334.508 2.986 20 0 EFADHO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1 ZINC000289881617 474469455 /nfs/dbraw/zinc/46/94/55/474469455.db2.gz HXBOCERBFRKILC-UKRRQHHQSA-N 1 3 339.867 2.607 20 0 EFADHO CC[C@H](C)NC(=O)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248940529 474486771 /nfs/dbraw/zinc/48/67/71/474486771.db2.gz COGZODBKPYXVSU-PFRQMTDMSA-N 1 3 331.504 2.647 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000271315438 474487188 /nfs/dbraw/zinc/48/71/88/474487188.db2.gz SBIZGCLWBHCJIT-QGZVFWFLSA-N 1 3 331.460 2.527 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000237880124 474492808 /nfs/dbraw/zinc/49/28/08/474492808.db2.gz IDHDCZOREWPGBA-IAGOWNOFSA-N 1 3 347.528 2.734 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237884478 474492862 /nfs/dbraw/zinc/49/28/62/474492862.db2.gz WAEDWSRPPINQOP-SCTDSRPQSA-N 1 3 347.478 2.671 20 0 EFADHO C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCN2C2CCCC2)cc1 ZINC000276316393 474493199 /nfs/dbraw/zinc/49/31/99/474493199.db2.gz YCMQFHZRTMYVQC-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO [NH3+][C@@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000237900814 474499118 /nfs/dbraw/zinc/49/91/18/474499118.db2.gz ZTXFPNOGKWIKGV-PMACEKPBSA-N 1 3 337.467 2.857 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)C1 ZINC000237905167 474500578 /nfs/dbraw/zinc/50/05/78/474500578.db2.gz IDHDCZOREWPGBA-DLBZAZTESA-N 1 3 347.528 2.734 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176577460 474502467 /nfs/dbraw/zinc/50/24/67/474502467.db2.gz HLEUXJDIOKNGNK-MOPGFXCFSA-N 1 3 348.535 2.662 20 0 EFADHO CN(c1ccccc1C[NH2+]CCC1(O)CCC1)C1CCN(C)CC1 ZINC000283811541 474502749 /nfs/dbraw/zinc/50/27/49/474502749.db2.gz BOWXLYCLVXFLNG-UHFFFAOYSA-N 1 3 331.504 2.612 20 0 EFADHO C[C@@H]1CCN(CCOCC[N@@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249009897 474503528 /nfs/dbraw/zinc/50/35/28/474503528.db2.gz JJQIOOAVLZIAEV-HZPDHXFCSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@@H]1CCN(CCOCC[N@H+]2CCS[C@H](C)CC2)CCS1 ZINC000249009897 474503536 /nfs/dbraw/zinc/50/35/36/474503536.db2.gz JJQIOOAVLZIAEV-HZPDHXFCSA-N 1 3 332.579 2.658 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176610632 474507615 /nfs/dbraw/zinc/50/76/15/474507615.db2.gz GZCLXBMEKDPCOK-RTBURBONSA-N 1 3 346.519 2.633 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000176618418 474508863 /nfs/dbraw/zinc/50/88/63/474508863.db2.gz JEMAQHWEAXOBDL-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CC[C@@H](C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189950644 474515433 /nfs/dbraw/zinc/51/54/33/474515433.db2.gz COGZODBKPYXVSU-YESZJQIVSA-N 1 3 331.504 2.647 20 0 EFADHO CC[C@H](C)NC(=O)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189950664 474516116 /nfs/dbraw/zinc/51/61/16/474516116.db2.gz COGZODBKPYXVSU-ULQDDVLXSA-N 1 3 331.504 2.647 20 0 EFADHO [NH3+]CCCCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000237987786 474516572 /nfs/dbraw/zinc/51/65/72/474516572.db2.gz NTBTXZFRRQNNJV-INIZCTEOSA-N 1 3 337.533 2.986 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1ccccc1 ZINC000238027566 474523863 /nfs/dbraw/zinc/52/38/63/474523863.db2.gz AKRVPLGZNUKKNZ-VQTJNVASSA-N 1 3 337.467 2.510 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCCCN1 ZINC000238030421 474524218 /nfs/dbraw/zinc/52/42/18/474524218.db2.gz SGRWOQWIDWOQKB-LJQANCHMSA-N 1 3 329.488 2.821 20 0 EFADHO C[C@H](NC[C@](C)(O)C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000271406892 474531807 /nfs/dbraw/zinc/53/18/07/474531807.db2.gz AAJXGCVNQBNKCH-WFASDCNBSA-N 1 3 334.382 2.591 20 0 EFADHO C[C@H]1C[C@H](N(C)CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000290027138 474532232 /nfs/dbraw/zinc/53/22/32/474532232.db2.gz NCRIUIARMDXXKX-PKOBYXMFSA-N 1 3 326.488 2.948 20 0 EFADHO C[C@H]1C[C@H](N(C)CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000290027138 474532241 /nfs/dbraw/zinc/53/22/41/474532241.db2.gz NCRIUIARMDXXKX-PKOBYXMFSA-N 1 3 326.488 2.948 20 0 EFADHO O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000238139641 474537677 /nfs/dbraw/zinc/53/76/77/474537677.db2.gz UCOWEHJABWCQBW-IBGZPJMESA-N 1 3 329.488 2.547 20 0 EFADHO CCN1CCC(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266984062 474555701 /nfs/dbraw/zinc/55/57/01/474555701.db2.gz UDCQNFNLGZJMQO-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000266984062 474555709 /nfs/dbraw/zinc/55/57/09/474555709.db2.gz UDCQNFNLGZJMQO-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](Cn1cccn1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271459952 474557423 /nfs/dbraw/zinc/55/74/23/474557423.db2.gz UCUGWHSJZOWYSJ-QGZVFWFLSA-N 1 3 341.503 2.592 20 0 EFADHO Cc1noc(CCC[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)n1 ZINC000271490603 474569770 /nfs/dbraw/zinc/56/97/70/474569770.db2.gz OVJNQSOXSICCLN-CQSZACIVSA-N 1 3 332.448 2.602 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(Cc2cccs2)CC1)C(C)(C)n1cncn1 ZINC000284105527 474573877 /nfs/dbraw/zinc/57/38/77/474573877.db2.gz MZSTXBRZPJABIN-OAHLLOKOSA-N 1 3 347.532 2.965 20 0 EFADHO C[C@H](NCCOc1ncccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000271513556 474577431 /nfs/dbraw/zinc/57/74/31/474577431.db2.gz OESHAJWCBXSVPE-HNNXBMFYSA-N 1 3 347.434 2.891 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000284206293 474595242 /nfs/dbraw/zinc/59/52/42/474595242.db2.gz SLMXOVOCMLYPRP-MJGOQNOKSA-N 1 3 341.503 2.556 20 0 EFADHO CC(C)CNC(=O)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184755015 474600933 /nfs/dbraw/zinc/60/09/33/474600933.db2.gz SMDXDAJACRHOEK-XEWABKELSA-N 1 3 331.504 2.505 20 0 EFADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267192954 474613917 /nfs/dbraw/zinc/61/39/17/474613917.db2.gz DOXNWDNMNSLNRA-WAOWUJCRSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267192954 474613920 /nfs/dbraw/zinc/61/39/20/474613920.db2.gz DOXNWDNMNSLNRA-WAOWUJCRSA-N 1 3 343.515 2.522 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)C1CCN(C)CC1 ZINC000249772717 474614023 /nfs/dbraw/zinc/61/40/23/474614023.db2.gz JSCOOFSWHPVKLU-QKNQBKEWSA-N 1 3 343.515 2.874 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000249794202 474617288 /nfs/dbraw/zinc/61/72/88/474617288.db2.gz WDWDUYDYECHAGP-CABCVRRESA-N 1 3 338.540 2.715 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]C[C@@H]3CCSC3)cc2)CC1 ZINC000278354843 474619109 /nfs/dbraw/zinc/61/91/09/474619109.db2.gz IOUNOFSIFIPSKH-IBGZPJMESA-N 1 3 333.545 2.667 20 0 EFADHO CCOc1ccc(C[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cc1F ZINC000278368016 474624222 /nfs/dbraw/zinc/62/42/22/474624222.db2.gz JPPKLLXXZMWXIY-MRXNPFEDSA-N 1 3 337.483 2.588 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000284348373 474624628 /nfs/dbraw/zinc/62/46/28/474624628.db2.gz MEDVQLDVEKKWDO-RTBURBONSA-N 1 3 343.515 2.876 20 0 EFADHO CN1CCC(Oc2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000284348373 474624630 /nfs/dbraw/zinc/62/46/30/474624630.db2.gz MEDVQLDVEKKWDO-RTBURBONSA-N 1 3 343.515 2.876 20 0 EFADHO C[NH+]1CCC(O)(CN[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000267255208 474629448 /nfs/dbraw/zinc/62/94/48/474629448.db2.gz OXTCLEMKLZUERO-IBGZPJMESA-N 1 3 328.431 2.961 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCSC2)CC1 ZINC000278425828 474641174 /nfs/dbraw/zinc/64/11/74/474641174.db2.gz JEARTQTYKVGPRI-QGZVFWFLSA-N 1 3 349.544 2.502 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278476774 474654812 /nfs/dbraw/zinc/65/48/12/474654812.db2.gz KEUXCUSERVTTOL-HZPDHXFCSA-N 1 3 333.476 2.797 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278476774 474654814 /nfs/dbraw/zinc/65/48/14/474654814.db2.gz KEUXCUSERVTTOL-HZPDHXFCSA-N 1 3 333.476 2.797 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278476770 474655118 /nfs/dbraw/zinc/65/51/18/474655118.db2.gz KEUXCUSERVTTOL-CVEARBPZSA-N 1 3 333.476 2.797 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278476770 474655121 /nfs/dbraw/zinc/65/51/21/474655121.db2.gz KEUXCUSERVTTOL-CVEARBPZSA-N 1 3 333.476 2.797 20 0 EFADHO O=C(C1CCN(C2CC2)CC1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000338842301 474661495 /nfs/dbraw/zinc/66/14/95/474661495.db2.gz JOJWQDQCFOKTOH-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000304762751 474662200 /nfs/dbraw/zinc/66/22/00/474662200.db2.gz PZXXMZKUABFGBC-XYTVBORESA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000305140809 474701637 /nfs/dbraw/zinc/70/16/37/474701637.db2.gz PZOMTXUFTQRLBA-XLIONFOSSA-N 1 3 342.487 2.616 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCC(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000305140807 474702194 /nfs/dbraw/zinc/70/21/94/474702194.db2.gz PZOMTXUFTQRLBA-PXNSSMCTSA-N 1 3 342.487 2.616 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@H](C)C1 ZINC000253336136 474721935 /nfs/dbraw/zinc/72/19/35/474721935.db2.gz HZNIVATUTZXCOS-TYPHKJRUSA-N 1 3 345.531 2.597 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000340858860 474724298 /nfs/dbraw/zinc/72/42/98/474724298.db2.gz LJRGPIDRRKCOBX-MOPGFXCFSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000340858860 474724302 /nfs/dbraw/zinc/72/43/02/474724302.db2.gz LJRGPIDRRKCOBX-MOPGFXCFSA-N 1 3 346.519 2.853 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@H+](CC)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284713323 474735318 /nfs/dbraw/zinc/73/53/18/474735318.db2.gz VEORJMQCGZDWDY-PBASOCQRSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284713323 474735325 /nfs/dbraw/zinc/73/53/25/474735325.db2.gz VEORJMQCGZDWDY-PBASOCQRSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000284713323 474735332 /nfs/dbraw/zinc/73/53/32/474735332.db2.gz VEORJMQCGZDWDY-PBASOCQRSA-N 1 3 345.531 2.768 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@@H+]1C ZINC000340899727 474762213 /nfs/dbraw/zinc/76/22/13/474762213.db2.gz YYRZMOHUGMXHCM-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H](c2ccccc2)N2CCCC2)CC[N@H+]1C ZINC000340899727 474762224 /nfs/dbraw/zinc/76/22/24/474762224.db2.gz YYRZMOHUGMXHCM-BHIYHBOVSA-N 1 3 344.503 2.605 20 0 EFADHO CC[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)N1CCc2ccccc2C1 ZINC000344644441 474773208 /nfs/dbraw/zinc/77/32/08/474773208.db2.gz OJWWQKCYHHIWDD-ABSDTBQOSA-N 1 3 343.515 2.812 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000268065896 474778145 /nfs/dbraw/zinc/77/81/45/474778145.db2.gz ARIHIQWMUCPEKJ-LJQANCHMSA-N 1 3 329.488 2.755 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000293040185 474779264 /nfs/dbraw/zinc/77/92/64/474779264.db2.gz SEVPLQFFNFMTLK-LJQANCHMSA-N 1 3 349.906 2.764 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000293040185 474779272 /nfs/dbraw/zinc/77/92/72/474779272.db2.gz SEVPLQFFNFMTLK-LJQANCHMSA-N 1 3 349.906 2.764 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000293040180 474780310 /nfs/dbraw/zinc/78/03/10/474780310.db2.gz SEVPLQFFNFMTLK-IBGZPJMESA-N 1 3 349.906 2.764 20 0 EFADHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)NCc3ccccc3Cl)C2)C1 ZINC000293040180 474780322 /nfs/dbraw/zinc/78/03/22/474780322.db2.gz SEVPLQFFNFMTLK-IBGZPJMESA-N 1 3 349.906 2.764 20 0 EFADHO COC[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000278700927 474782346 /nfs/dbraw/zinc/78/23/46/474782346.db2.gz HKKKBWXEMINJRU-GTAWCEEGSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000278700927 474782353 /nfs/dbraw/zinc/78/23/53/474782353.db2.gz HKKKBWXEMINJRU-GTAWCEEGSA-N 1 3 332.488 2.681 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000291983533 474786380 /nfs/dbraw/zinc/78/63/80/474786380.db2.gz TZPSDHQZTUYRRT-QGZVFWFLSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000291983533 474786387 /nfs/dbraw/zinc/78/63/87/474786387.db2.gz TZPSDHQZTUYRRT-QGZVFWFLSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000291996451 474793789 /nfs/dbraw/zinc/79/37/89/474793789.db2.gz BSIUNPWJMRJPHH-NZSAHSFTSA-N 1 3 329.488 2.688 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000623065039 480126757 /nfs/dbraw/zinc/12/67/57/480126757.db2.gz OBEPKPOKTJFNNS-ROUUACIJSA-N 1 3 344.503 2.992 20 0 EFADHO C[N@H+](CCCN1CCCC1)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000337239885 474814669 /nfs/dbraw/zinc/81/46/69/474814669.db2.gz ZXOWMJKKTWUZJZ-FQEVSTJZSA-N 1 3 343.515 2.988 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000337239885 474814674 /nfs/dbraw/zinc/81/46/74/474814674.db2.gz ZXOWMJKKTWUZJZ-FQEVSTJZSA-N 1 3 343.515 2.988 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000623066504 480128090 /nfs/dbraw/zinc/12/80/90/480128090.db2.gz JIVRQMHQELRNGI-SJORKVTESA-N 1 3 330.476 2.602 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292062327 474825821 /nfs/dbraw/zinc/82/58/21/474825821.db2.gz CPWBUQZTJPVRHR-MRXNPFEDSA-N 1 3 344.377 2.992 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000292062327 474825828 /nfs/dbraw/zinc/82/58/28/474825828.db2.gz CPWBUQZTJPVRHR-MRXNPFEDSA-N 1 3 344.377 2.992 20 0 EFADHO CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCN1CC)[NH+]1CCCC1 ZINC000340964515 474826550 /nfs/dbraw/zinc/82/65/50/474826550.db2.gz LQARASMMTPBHQZ-ROUUACIJSA-N 1 3 338.540 2.671 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292065823 474827890 /nfs/dbraw/zinc/82/78/90/474827890.db2.gz CZOPEGYXZTXXSX-FQEVSTJZSA-N 1 3 348.487 2.890 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292065823 474827900 /nfs/dbraw/zinc/82/79/00/474827900.db2.gz CZOPEGYXZTXXSX-FQEVSTJZSA-N 1 3 348.487 2.890 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000278785646 474833408 /nfs/dbraw/zinc/83/34/08/474833408.db2.gz HRIOHUVOXSKBGW-UHFFFAOYSA-N 1 3 341.499 2.704 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311207201 474836474 /nfs/dbraw/zinc/83/64/74/474836474.db2.gz JTYAGALYIUGWNT-QHAWAJNXSA-N 1 3 346.515 2.618 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311207201 474836483 /nfs/dbraw/zinc/83/64/83/474836483.db2.gz JTYAGALYIUGWNT-QHAWAJNXSA-N 1 3 346.515 2.618 20 0 EFADHO C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CCN1Cc1ccccc1 ZINC000292098326 474845613 /nfs/dbraw/zinc/84/56/13/474845613.db2.gz OAZKRLLCPNNMHI-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO Brc1cnn(CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000312413342 474849673 /nfs/dbraw/zinc/84/96/73/474849673.db2.gz GEMNRJAAIDNLTD-ZNMIVQPWSA-N 1 3 341.297 2.546 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCN1C ZINC000340991600 474855405 /nfs/dbraw/zinc/85/54/05/474855405.db2.gz WNLHWZZZGPSFKC-VQIMIIECSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000268225560 474873675 /nfs/dbraw/zinc/87/36/75/474873675.db2.gz RIJJWPRLTGNKHJ-OXQOHEQNSA-N 1 3 341.499 2.885 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000268227858 474875801 /nfs/dbraw/zinc/87/58/01/474875801.db2.gz RSNXQLBAYJGASF-CXAGYDPISA-N 1 3 341.455 2.707 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000341016115 474883378 /nfs/dbraw/zinc/88/33/78/474883378.db2.gz CCQZKFZJIWVMTH-UKBAYJJMSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000341016115 474883380 /nfs/dbraw/zinc/88/33/80/474883380.db2.gz CCQZKFZJIWVMTH-UKBAYJJMSA-N 1 3 344.503 2.604 20 0 EFADHO C[N@H+](CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150065 474885537 /nfs/dbraw/zinc/88/55/37/474885537.db2.gz CAGKKTQYNOAQAL-NVXWUHKLSA-N 1 3 330.538 2.586 20 0 EFADHO C[N@@H+](CCCN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC000317150065 474885545 /nfs/dbraw/zinc/88/55/45/474885545.db2.gz CAGKKTQYNOAQAL-NVXWUHKLSA-N 1 3 330.538 2.586 20 0 EFADHO Oc1cccc2c1CCC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000285112517 474895594 /nfs/dbraw/zinc/89/55/94/474895594.db2.gz KUOBQMNPJSEYQT-BJLQDIEVSA-N 1 3 330.472 2.737 20 0 EFADHO C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)N1CCCC[C@H]1C ZINC000337328990 474902145 /nfs/dbraw/zinc/90/21/45/474902145.db2.gz FLJAZDUWMBCSFR-SJORKVTESA-N 1 3 338.540 2.861 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000292203026 474902599 /nfs/dbraw/zinc/90/25/99/474902599.db2.gz YJHZYCWZYPXBIF-CVEARBPZSA-N 1 3 335.517 2.609 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@H+]1C/C=C\CN1CCCC[C@H]1[C@@H](O)CC ZINC000255905304 474917795 /nfs/dbraw/zinc/91/77/95/474917795.db2.gz MSPMNRDBBPTJBM-MNBKZLNBSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C/C=C\CN1CCCC[C@H]1[C@@H](O)CC ZINC000255905304 474917803 /nfs/dbraw/zinc/91/78/03/474917803.db2.gz MSPMNRDBBPTJBM-MNBKZLNBSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C/C=C\C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000255905304 474917809 /nfs/dbraw/zinc/91/78/09/474917809.db2.gz MSPMNRDBBPTJBM-MNBKZLNBSA-N 1 3 338.536 2.793 20 0 EFADHO CC[C@@H](O)[C@H]1CCCCN1C/C=C\C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000255905304 474917817 /nfs/dbraw/zinc/91/78/17/474917817.db2.gz MSPMNRDBBPTJBM-MNBKZLNBSA-N 1 3 338.536 2.793 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337348578 474922624 /nfs/dbraw/zinc/92/26/24/474922624.db2.gz ZDAFRBWFFOGUDA-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000337348578 474922628 /nfs/dbraw/zinc/92/26/28/474922628.db2.gz ZDAFRBWFFOGUDA-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000337357185 474932884 /nfs/dbraw/zinc/93/28/84/474932884.db2.gz FPOMBEVNCIQJMY-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000337357185 474932893 /nfs/dbraw/zinc/93/28/93/474932893.db2.gz FPOMBEVNCIQJMY-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000337366987 474943489 /nfs/dbraw/zinc/94/34/89/474943489.db2.gz LTOOQFLAGQXYTM-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCC(O)(CC)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000268396576 474957604 /nfs/dbraw/zinc/95/76/04/474957604.db2.gz ZFGUQHHMDRTPDH-UHFFFAOYSA-N 1 3 333.520 2.858 20 0 EFADHO CCc1cc(OC)ccc1CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000337399084 474976137 /nfs/dbraw/zinc/97/61/37/474976137.db2.gz QLZLLLIIYVKWKJ-UWJYYQICSA-N 1 3 345.531 2.715 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000268442620 474979876 /nfs/dbraw/zinc/97/98/76/474979876.db2.gz SCYBRWBKIRFQMR-UHFFFAOYSA-N 1 3 346.450 2.541 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285345806 474980105 /nfs/dbraw/zinc/98/01/05/474980105.db2.gz AKKDITWHUZLAKS-JWTNVVGKSA-N 1 3 345.487 2.971 20 0 EFADHO CCOc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285345806 474980109 /nfs/dbraw/zinc/98/01/09/474980109.db2.gz AKKDITWHUZLAKS-JWTNVVGKSA-N 1 3 345.487 2.971 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000261548906 474982996 /nfs/dbraw/zinc/98/29/96/474982996.db2.gz JYJYPWWOGBRNRO-QZTJIDSGSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000261577713 474985391 /nfs/dbraw/zinc/98/53/91/474985391.db2.gz ONCJSSNLMFEMGC-HLAWJBBLSA-N 1 3 345.531 2.645 20 0 EFADHO Cc1noc(CCC[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000285354962 474987068 /nfs/dbraw/zinc/98/70/68/474987068.db2.gz ABAFEKQXQITJCQ-HXUWFJFHSA-N 1 3 340.471 2.909 20 0 EFADHO Cc1noc(CCC[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000285354962 474987079 /nfs/dbraw/zinc/98/70/79/474987079.db2.gz ABAFEKQXQITJCQ-HXUWFJFHSA-N 1 3 340.471 2.909 20 0 EFADHO Cc1noc(CCC[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000285354957 474987510 /nfs/dbraw/zinc/98/75/10/474987510.db2.gz ABAFEKQXQITJCQ-FQEVSTJZSA-N 1 3 340.471 2.909 20 0 EFADHO Cc1noc(CCC[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)n1 ZINC000285354957 474987520 /nfs/dbraw/zinc/98/75/20/474987520.db2.gz ABAFEKQXQITJCQ-FQEVSTJZSA-N 1 3 340.471 2.909 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC(F)F)cc2)CC1 ZINC000268454144 474987886 /nfs/dbraw/zinc/98/78/86/474987886.db2.gz WZUJAFXOYIKRMB-UHFFFAOYSA-N 1 3 328.403 2.613 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@@H]3CCC[NH2+]3)CC1)O[C@@H](C)C2 ZINC000325454585 474989319 /nfs/dbraw/zinc/98/93/19/474989319.db2.gz YPIFONXMOBEBEM-KSSFIOAISA-N 1 3 330.472 2.983 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1 ZINC000261613129 474995928 /nfs/dbraw/zinc/99/59/28/474995928.db2.gz FBFUMQUALDDEDV-QFBILLFUSA-N 1 3 331.504 2.903 20 0 EFADHO CCc1nn(C)c(CC)c1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261621791 474999459 /nfs/dbraw/zinc/99/94/59/474999459.db2.gz CALFCUYRVYPYAD-SJORKVTESA-N 1 3 326.488 2.719 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261661627 475013979 /nfs/dbraw/zinc/01/39/79/475013979.db2.gz FGIIZDAIGZADLE-GDBMZVCRSA-N 1 3 330.476 2.506 20 0 EFADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)C[C@H]1c1ccccc1 ZINC000261663550 475015412 /nfs/dbraw/zinc/01/54/12/475015412.db2.gz GZEHWSPXACLESM-UXHICEINSA-N 1 3 349.478 2.640 20 0 EFADHO COc1cccc(N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)c1 ZINC000328379973 475028281 /nfs/dbraw/zinc/02/82/81/475028281.db2.gz LSXLRKUPEFFHJA-UHFFFAOYSA-N 1 3 337.467 2.663 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261702264 475030771 /nfs/dbraw/zinc/03/07/71/475030771.db2.gz INJLGFDRYGHMLN-OJAHFUOMSA-N 1 3 343.515 2.873 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000337450718 475031601 /nfs/dbraw/zinc/03/16/01/475031601.db2.gz KOEVESOPAAKVHN-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000337450718 475031606 /nfs/dbraw/zinc/03/16/06/475031606.db2.gz KOEVESOPAAKVHN-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1OC ZINC000273747921 475039556 /nfs/dbraw/zinc/03/95/56/475039556.db2.gz ORMVSOVQZNFTPD-PKOFMYQESA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1OC ZINC000273747921 475039563 /nfs/dbraw/zinc/03/95/63/475039563.db2.gz ORMVSOVQZNFTPD-PKOFMYQESA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1OC ZINC000273747918 475040572 /nfs/dbraw/zinc/04/05/72/475040572.db2.gz ORMVSOVQZNFTPD-ABHMUUKNSA-N 1 3 332.488 2.822 20 0 EFADHO CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1OC ZINC000273747918 475040580 /nfs/dbraw/zinc/04/05/80/475040580.db2.gz ORMVSOVQZNFTPD-ABHMUUKNSA-N 1 3 332.488 2.822 20 0 EFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000261748336 475049743 /nfs/dbraw/zinc/04/97/43/475049743.db2.gz NDHHVCGMANYLDA-SJORKVTESA-N 1 3 341.430 2.829 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000337477009 475051890 /nfs/dbraw/zinc/05/18/90/475051890.db2.gz SPSCHLRPHBUXHC-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000337477009 475051897 /nfs/dbraw/zinc/05/18/97/475051897.db2.gz SPSCHLRPHBUXHC-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO CCN(CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc(OC)c1 ZINC000261754586 475052301 /nfs/dbraw/zinc/05/23/01/475052301.db2.gz MXGBMLWCZHVPNE-KFKAGJAMSA-N 1 3 347.503 2.712 20 0 EFADHO CC[C@H](COC)[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000268913156 475069027 /nfs/dbraw/zinc/06/90/27/475069027.db2.gz ZMZDWUUOZLWWSK-HXUWFJFHSA-N 1 3 333.520 2.599 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1OCCN1CCCC1 ZINC000261812592 475070868 /nfs/dbraw/zinc/07/08/68/475070868.db2.gz SBNABTFJJKJKGU-SJLPKXTDSA-N 1 3 345.487 2.783 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CCOCC2)CCN1Cc1ccccc1 ZINC000268930421 475078359 /nfs/dbraw/zinc/07/83/59/475078359.db2.gz ZJLYOGZWYWJOQL-AZUAARDMSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC1(O)CCN(C)CC1 ZINC000268955279 475092908 /nfs/dbraw/zinc/09/29/08/475092908.db2.gz DEMOGGWCOPEIRT-ZDUSSCGKSA-N 1 3 330.394 2.683 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000261881286 475097862 /nfs/dbraw/zinc/09/78/62/475097862.db2.gz RUGDVJBAYJKXBP-CYBMUJFWSA-N 1 3 339.867 2.609 20 0 EFADHO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(OCCN(C)C)cc1 ZINC000281167087 475099464 /nfs/dbraw/zinc/09/94/64/475099464.db2.gz WCONHCUKHPOYIZ-NPMXOYFQSA-N 1 3 338.517 2.579 20 0 EFADHO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000261890491 475100804 /nfs/dbraw/zinc/10/08/04/475100804.db2.gz TVRPJWZAZZUJRC-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1Br ZINC000268972107 475103106 /nfs/dbraw/zinc/10/31/06/475103106.db2.gz IFGSKRYKUKANFJ-GFCCVEGCSA-N 1 3 327.266 2.556 20 0 EFADHO COc1cccc2c1CC[C@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000268974996 475104539 /nfs/dbraw/zinc/10/45/39/475104539.db2.gz BIPINCYCLBEVNK-HNAYVOBHSA-N 1 3 330.472 2.773 20 0 EFADHO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000268974988 475105699 /nfs/dbraw/zinc/10/56/99/475105699.db2.gz BIPINCYCLBEVNK-BEFAXECRSA-N 1 3 330.472 2.773 20 0 EFADHO O=C(C1CCN(Cc2ccccc2)CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261906187 475108250 /nfs/dbraw/zinc/10/82/50/475108250.db2.gz WXTZSCSBTIWQMQ-UHFFFAOYSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000287352485 475110155 /nfs/dbraw/zinc/11/01/55/475110155.db2.gz JGXXWQMGPZQQIH-APWZRJJASA-N 1 3 346.519 2.709 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)ccc2O1 ZINC000268991170 475115359 /nfs/dbraw/zinc/11/53/59/475115359.db2.gz WAIRQKYWVCRMJB-OALUTQOASA-N 1 3 344.499 2.868 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H](c1ccccc1)N(C)C ZINC000287365054 475116779 /nfs/dbraw/zinc/11/67/79/475116779.db2.gz QPGFHCOXRFMYIO-NQYYFHDYSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H](c1ccccc1)N(C)C ZINC000287365054 475116788 /nfs/dbraw/zinc/11/67/88/475116788.db2.gz QPGFHCOXRFMYIO-NQYYFHDYSA-N 1 3 344.503 2.604 20 0 EFADHO CCCN(Cc1ccc(Cl)cc1-n1cncn1)C1CC[NH2+]CC1 ZINC000261983585 475135664 /nfs/dbraw/zinc/13/56/64/475135664.db2.gz RQDFTBZUKWIBFQ-UHFFFAOYSA-N 1 3 333.867 2.885 20 0 EFADHO CCC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C1CCNCC1 ZINC000261983585 475135672 /nfs/dbraw/zinc/13/56/72/475135672.db2.gz RQDFTBZUKWIBFQ-UHFFFAOYSA-N 1 3 333.867 2.885 20 0 EFADHO CCC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C1CCNCC1 ZINC000261983585 475135679 /nfs/dbraw/zinc/13/56/79/475135679.db2.gz RQDFTBZUKWIBFQ-UHFFFAOYSA-N 1 3 333.867 2.885 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000269039057 475140338 /nfs/dbraw/zinc/14/03/38/475140338.db2.gz GGDJIERSJRHYFL-CRAIPNDOSA-N 1 3 338.492 2.849 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000262001034 475142785 /nfs/dbraw/zinc/14/27/85/475142785.db2.gz PSGUZBRRBDTXCC-IAGOWNOFSA-N 1 3 331.504 2.882 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000262021318 475146648 /nfs/dbraw/zinc/14/66/48/475146648.db2.gz ALYAGNBMBDLYEQ-IUODEOHRSA-N 1 3 345.409 2.799 20 0 EFADHO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269048646 475147013 /nfs/dbraw/zinc/14/70/13/475147013.db2.gz VGKMHBLMLTXDGP-RYUDHWBXSA-N 1 3 334.432 2.674 20 0 EFADHO Cn1cc(CC[N@@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053878 475151305 /nfs/dbraw/zinc/15/13/05/475151305.db2.gz RQJCXXSXBYTMJX-RTWAWAEBSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1cc(CC[N@H+]2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053878 475151312 /nfs/dbraw/zinc/15/13/12/475151312.db2.gz RQJCXXSXBYTMJX-RTWAWAEBSA-N 1 3 338.499 2.949 20 0 EFADHO C[C@@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Cl)c1 ZINC000262118892 475176842 /nfs/dbraw/zinc/17/68/42/475176842.db2.gz XDNHXQXMIXLPQC-YOEHRIQHSA-N 1 3 337.895 2.763 20 0 EFADHO c1cc(-c2ccccc2)sc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262129381 475179682 /nfs/dbraw/zinc/17/96/82/475179682.db2.gz NOGQLIAJVICQMS-KRWDZBQOSA-N 1 3 327.497 2.895 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287539396 475188479 /nfs/dbraw/zinc/18/84/79/475188479.db2.gz DZTJMBSKHGUNJZ-HOCLYGCPSA-N 1 3 346.393 2.827 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000292769742 475189963 /nfs/dbraw/zinc/18/99/63/475189963.db2.gz XIKVCHIWMKUQSY-IBGZPJMESA-N 1 3 347.503 2.535 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000296109288 475198775 /nfs/dbraw/zinc/19/87/75/475198775.db2.gz DXOAHRMYFITNGA-FQEVSTJZSA-N 1 3 345.531 2.946 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000296109288 475198781 /nfs/dbraw/zinc/19/87/81/475198781.db2.gz DXOAHRMYFITNGA-FQEVSTJZSA-N 1 3 345.531 2.946 20 0 EFADHO c1ccc(Oc2cccc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262238395 475205023 /nfs/dbraw/zinc/20/50/23/475205023.db2.gz OVBFEXYPBGMCML-LJQANCHMSA-N 1 3 337.467 2.958 20 0 EFADHO C[C@H](CC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000262257722 475208355 /nfs/dbraw/zinc/20/83/55/475208355.db2.gz QTJNJKUUCHZUHS-YZGWKJHDSA-N 1 3 343.515 2.966 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262267113 475210401 /nfs/dbraw/zinc/21/04/01/475210401.db2.gz HKGJNOQWAFGMFS-QRVBRYPASA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000262271609 475211596 /nfs/dbraw/zinc/21/15/96/475211596.db2.gz IMYJZQFTLAGFSF-QRQLOZEOSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000339436580 475216923 /nfs/dbraw/zinc/21/69/23/475216923.db2.gz JXXTUTCRTMKHLW-HKUYNNGSSA-N 1 3 346.519 2.711 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCN1Cc1ccccc1 ZINC000262368638 475225742 /nfs/dbraw/zinc/22/57/42/475225742.db2.gz JTQUPZIARCWOBH-NBMJBFSESA-N 1 3 329.488 2.544 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000296215412 475226608 /nfs/dbraw/zinc/22/66/08/475226608.db2.gz BRSVCFUMBKAKHS-SJORKVTESA-N 1 3 348.487 2.729 20 0 EFADHO COC(=O)COC[C@@H](C)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296215412 475226615 /nfs/dbraw/zinc/22/66/15/475226615.db2.gz BRSVCFUMBKAKHS-SJORKVTESA-N 1 3 348.487 2.729 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CN1Cc1ccccc1 ZINC000262432092 475239172 /nfs/dbraw/zinc/23/91/72/475239172.db2.gz TYFUOZFVOBMLRL-XFIJJGBISA-N 1 3 341.499 2.545 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000341709801 475239923 /nfs/dbraw/zinc/23/99/23/475239923.db2.gz XYPZFMIJSUSEIV-KRWDZBQOSA-N 1 3 331.504 2.745 20 0 EFADHO CCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000361174220 475244162 /nfs/dbraw/zinc/24/41/62/475244162.db2.gz VBHNCFRSKWIREW-FUHWJXTLSA-N 1 3 347.503 2.713 20 0 EFADHO COC[C@H](CC(C)C)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000361174959 475244956 /nfs/dbraw/zinc/24/49/56/475244956.db2.gz JSZCBOOTHVZFGG-IBGZPJMESA-N 1 3 334.504 2.794 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262485622 475251698 /nfs/dbraw/zinc/25/16/98/475251698.db2.gz YNOMYBPDIMBFEO-SXLOBPIMSA-N 1 3 343.515 2.745 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NC1CCN(CC)CC1)[NH+]1CCCC1 ZINC000339521345 475272177 /nfs/dbraw/zinc/27/21/77/475272177.db2.gz NRXLRZJDGJMJRR-GOSISDBHSA-N 1 3 338.540 2.671 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000352415796 475272230 /nfs/dbraw/zinc/27/22/30/475272230.db2.gz PUWKXKPPVMDNRY-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO O=C([C@@H](C1CC1)N1CCCC1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000352415796 475272235 /nfs/dbraw/zinc/27/22/35/475272235.db2.gz PUWKXKPPVMDNRY-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCCN1CCCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000341757494 475278872 /nfs/dbraw/zinc/27/88/72/475278872.db2.gz KNPTYGWPNOCJHN-IKGGRYGDSA-N 1 3 330.538 2.586 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)[C@@H](C)C1 ZINC000361221349 475280122 /nfs/dbraw/zinc/28/01/22/475280122.db2.gz RQAFUYCLOLJHKA-BJLQDIEVSA-N 1 3 337.552 2.730 20 0 EFADHO Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000352447742 475305596 /nfs/dbraw/zinc/30/55/96/475305596.db2.gz OBFYPRVPERUGNX-VQTJNVASSA-N 1 3 338.499 2.991 20 0 EFADHO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000352447742 475305605 /nfs/dbraw/zinc/30/56/05/475305605.db2.gz OBFYPRVPERUGNX-VQTJNVASSA-N 1 3 338.499 2.991 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000358002218 475324642 /nfs/dbraw/zinc/32/46/42/475324642.db2.gz JSGKFYRZTAYPNH-ZIFCJYIRSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000358002218 475324649 /nfs/dbraw/zinc/32/46/49/475324649.db2.gz JSGKFYRZTAYPNH-ZIFCJYIRSA-N 1 3 346.519 2.677 20 0 EFADHO CCN1CCC([NH2+]Cc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341817694 475326976 /nfs/dbraw/zinc/32/69/76/475326976.db2.gz IBUNEUGNIIMARS-QZTJIDSGSA-N 1 3 345.531 2.870 20 0 EFADHO CC[NH+]1CCC(NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341817694 475326979 /nfs/dbraw/zinc/32/69/79/475326979.db2.gz IBUNEUGNIIMARS-QZTJIDSGSA-N 1 3 345.531 2.870 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000361326960 475356459 /nfs/dbraw/zinc/35/64/59/475356459.db2.gz QXVIZTBKNNGYOC-MJGOQNOKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000361326960 475356467 /nfs/dbraw/zinc/35/64/67/475356467.db2.gz QXVIZTBKNNGYOC-MJGOQNOKSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345684346 475363135 /nfs/dbraw/zinc/36/31/35/475363135.db2.gz DEERMLDRHMOHSJ-XJKSGUPXSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)CC(F)F ZINC000345684346 475363143 /nfs/dbraw/zinc/36/31/43/475363143.db2.gz DEERMLDRHMOHSJ-XJKSGUPXSA-N 1 3 339.430 2.660 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000331649393 475363676 /nfs/dbraw/zinc/36/36/76/475363676.db2.gz WHOOOWKQWQGSSF-MAUKXSAKSA-N 1 3 331.460 2.997 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000361336833 475365469 /nfs/dbraw/zinc/36/54/69/475365469.db2.gz WEPLKOFIKDYRKQ-DNVCBOLYSA-N 1 3 348.535 2.565 20 0 EFADHO CN(C)C(=O)CC[NH+]1CCC(N[C@H]2CC(C)(C)c3ccccc32)CC1 ZINC000361341795 475370603 /nfs/dbraw/zinc/37/06/03/475370603.db2.gz REFCVWKRUVUQAT-IBGZPJMESA-N 1 3 343.515 2.941 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345695896 475374723 /nfs/dbraw/zinc/37/47/23/475374723.db2.gz QJNWSKKVBIQQBF-XJKSGUPXSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)CC(F)F)cc2)C1 ZINC000345695896 475374726 /nfs/dbraw/zinc/37/47/26/475374726.db2.gz QJNWSKKVBIQQBF-XJKSGUPXSA-N 1 3 339.430 2.517 20 0 EFADHO Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1C ZINC000361350934 475375477 /nfs/dbraw/zinc/37/54/77/475375477.db2.gz JAPBNVQJBDRWES-KRWDZBQOSA-N 1 3 331.504 2.897 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000361350332 475376563 /nfs/dbraw/zinc/37/65/63/475376563.db2.gz FEFRIQGJHPVJBJ-OXQOHEQNSA-N 1 3 332.488 2.812 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccc(COC2CCOCC2)c1 ZINC000361350332 475376569 /nfs/dbraw/zinc/37/65/69/475376569.db2.gz FEFRIQGJHPVJBJ-OXQOHEQNSA-N 1 3 332.488 2.812 20 0 EFADHO CC1CC[NH+](Cc2ccc(NC(=O)[C@@H](N)CC(F)F)cc2)CC1 ZINC000345699747 475378004 /nfs/dbraw/zinc/37/80/04/475378004.db2.gz UQGCWTMBEBGHEC-HNNXBMFYSA-N 1 3 325.403 2.840 20 0 EFADHO CN(C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882255 475380774 /nfs/dbraw/zinc/38/07/74/475380774.db2.gz KGPXBLZZTOOSJC-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341882255 475380781 /nfs/dbraw/zinc/38/07/81/475380781.db2.gz KGPXBLZZTOOSJC-RTWAWAEBSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358081275 475382292 /nfs/dbraw/zinc/38/22/92/475382292.db2.gz HPYNPAKPLTYAGC-AWEZNQCLSA-N 1 3 339.505 2.582 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000361367958 475388690 /nfs/dbraw/zinc/38/86/90/475388690.db2.gz FIQREJZBOQUAPG-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000348099617 475388620 /nfs/dbraw/zinc/38/86/20/475388620.db2.gz DMIANSNPEGVNQQ-ZBFHGGJFSA-N 1 3 346.393 2.827 20 0 EFADHO CCC(CC)(CNC(=O)[C@H](N)CC(F)F)[NH2+][C@@H](C)c1ccccc1 ZINC000345719393 475392569 /nfs/dbraw/zinc/39/25/69/475392569.db2.gz PSUMEFLFPHBYLP-DZGCQCFKSA-N 1 3 341.446 2.995 20 0 EFADHO C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000358096023 475396680 /nfs/dbraw/zinc/39/66/80/475396680.db2.gz MREUVTIKQUMVNJ-QGZVFWFLSA-N 1 3 336.524 2.592 20 0 EFADHO Cc1cc(C[N@H+](CCCN)CC2CCCC2)ccc1-n1cncn1 ZINC000352546365 475400628 /nfs/dbraw/zinc/40/06/28/475400628.db2.gz UDRAYQOHAKPTHS-UHFFFAOYSA-N 1 3 327.476 2.917 20 0 EFADHO Cc1cc(C[N@@H+](CCCN)CC2CCCC2)ccc1-n1cncn1 ZINC000352546365 475400636 /nfs/dbraw/zinc/40/06/36/475400636.db2.gz UDRAYQOHAKPTHS-UHFFFAOYSA-N 1 3 327.476 2.917 20 0 EFADHO Cn1cc(CN(CCC[NH3+])CC2CCCC2)c(-c2ccncc2)n1 ZINC000352546456 475401487 /nfs/dbraw/zinc/40/14/87/475401487.db2.gz VLVBPUIINTUBJP-UHFFFAOYSA-N 1 3 327.476 2.823 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345760694 475428490 /nfs/dbraw/zinc/42/84/90/475428490.db2.gz VMDHNGLEMOCXFI-XSLAGTTESA-N 1 3 338.540 2.669 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345760690 475428611 /nfs/dbraw/zinc/42/86/11/475428611.db2.gz VMDHNGLEMOCXFI-FJIDUMEYSA-N 1 3 338.540 2.669 20 0 EFADHO Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(OCC[NH+](C)C)cc1 ZINC000337944871 475450516 /nfs/dbraw/zinc/45/05/16/475450516.db2.gz PXKZSWCSBFCUBQ-SFHVURJKSA-N 1 3 328.460 2.528 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000345790232 475453053 /nfs/dbraw/zinc/45/30/53/475453053.db2.gz IIWZVMWSSXUDJU-CALCHBBNSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)[NH+](CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C(C)C ZINC000341962362 475453583 /nfs/dbraw/zinc/45/35/83/475453583.db2.gz QCELBBGCJDNNPT-SFHVURJKSA-N 1 3 348.535 2.925 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCN1C ZINC000361458090 475463132 /nfs/dbraw/zinc/46/31/32/475463132.db2.gz OTWLELKMJHOQJG-DLBZAZTESA-N 1 3 338.540 2.813 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468737 475472448 /nfs/dbraw/zinc/47/24/48/475472448.db2.gz JAZHPMPLTXAQRN-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468737 475472459 /nfs/dbraw/zinc/47/24/59/475472459.db2.gz JAZHPMPLTXAQRN-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO C[N@H+](CCC(=O)N1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000354865970 475473950 /nfs/dbraw/zinc/47/39/50/475473950.db2.gz YMNOZSAMWUZQFD-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO C[N@@H+](CCC(=O)N1CCCCC1)CC1CCN(c2ccncc2)CC1 ZINC000354865970 475473961 /nfs/dbraw/zinc/47/39/61/475473961.db2.gz YMNOZSAMWUZQFD-UHFFFAOYSA-N 1 3 344.503 2.632 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352679207 475521750 /nfs/dbraw/zinc/52/17/50/475521750.db2.gz RZLBZWJZPXLLHL-SFHVURJKSA-N 1 3 334.508 2.629 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000352679207 475521757 /nfs/dbraw/zinc/52/17/57/475521757.db2.gz RZLBZWJZPXLLHL-SFHVURJKSA-N 1 3 334.508 2.629 20 0 EFADHO C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000358254472 475532284 /nfs/dbraw/zinc/53/22/84/475532284.db2.gz PSSKTSDTGPUCMC-MKBNYLNASA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000358254472 475532294 /nfs/dbraw/zinc/53/22/94/475532294.db2.gz PSSKTSDTGPUCMC-MKBNYLNASA-N 1 3 347.286 2.805 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000348256214 475532607 /nfs/dbraw/zinc/53/26/07/475532607.db2.gz VNEFBTXKUMSNBG-MRXNPFEDSA-N 1 3 336.476 2.857 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690240 475535727 /nfs/dbraw/zinc/53/57/27/475535727.db2.gz COLBDWDVDKPHFD-LPHOPBHVSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690240 475535736 /nfs/dbraw/zinc/53/57/36/475535736.db2.gz COLBDWDVDKPHFD-LPHOPBHVSA-N 1 3 346.519 2.770 20 0 EFADHO CC[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263646 475542021 /nfs/dbraw/zinc/54/20/21/475542021.db2.gz XYSMFAKUWDLFGS-VQTJNVASSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263646 475542027 /nfs/dbraw/zinc/54/20/27/475542027.db2.gz XYSMFAKUWDLFGS-VQTJNVASSA-N 1 3 328.456 2.956 20 0 EFADHO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1CCN(C2CC2)CC1 ZINC000345916371 475544609 /nfs/dbraw/zinc/54/46/09/475544609.db2.gz WJKXHYUIRXEBQJ-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]21 ZINC000342079100 475551175 /nfs/dbraw/zinc/55/11/75/475551175.db2.gz DPRYHAKXLQJGHR-BASLNEPJSA-N 1 3 333.863 2.505 20 0 EFADHO CC(C)Oc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000346084953 475557766 /nfs/dbraw/zinc/55/77/66/475557766.db2.gz RANSFUMWPVQZJF-FUHWJXTLSA-N 1 3 347.503 2.712 20 0 EFADHO CCCN1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000358295118 475567052 /nfs/dbraw/zinc/56/70/52/475567052.db2.gz OTDTUKYYQOWGGF-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000346178263 475568060 /nfs/dbraw/zinc/56/80/60/475568060.db2.gz FHTBRYCWASGNSW-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000346178263 475568068 /nfs/dbraw/zinc/56/80/68/475568068.db2.gz FHTBRYCWASGNSW-YRXWBPOGSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000346279137 475579066 /nfs/dbraw/zinc/57/90/66/475579066.db2.gz VBAQTALALOKHTJ-MANSERQUSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000354991690 475583247 /nfs/dbraw/zinc/58/32/47/475583247.db2.gz FWOIIBXSSBLTPX-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000354991690 475583253 /nfs/dbraw/zinc/58/32/53/475583253.db2.gz FWOIIBXSSBLTPX-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CSCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358313458 475584064 /nfs/dbraw/zinc/58/40/64/475584064.db2.gz DHUFNPPYBPVBDE-MVCQKVDPSA-N 1 3 334.529 2.886 20 0 EFADHO CSCC[C@H](CO)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358313458 475584072 /nfs/dbraw/zinc/58/40/72/475584072.db2.gz DHUFNPPYBPVBDE-MVCQKVDPSA-N 1 3 334.529 2.886 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348317528 475587252 /nfs/dbraw/zinc/58/72/52/475587252.db2.gz WSMIVIJDEXRGAW-HLAWJBBLSA-N 1 3 348.531 2.663 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@](C)(CO)c2ccccc2)[C@H](C)C1 ZINC000348317528 475587256 /nfs/dbraw/zinc/58/72/56/475587256.db2.gz WSMIVIJDEXRGAW-HLAWJBBLSA-N 1 3 348.531 2.663 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352767799 475603353 /nfs/dbraw/zinc/60/33/53/475603353.db2.gz GFOXKIYQPPFNRD-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000352767799 475603359 /nfs/dbraw/zinc/60/33/59/475603359.db2.gz GFOXKIYQPPFNRD-YQVWRLOYSA-N 1 3 346.519 2.679 20 0 EFADHO CN(C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000361623259 475607482 /nfs/dbraw/zinc/60/74/82/475607482.db2.gz UGPGXVIFWFMKMU-GOSISDBHSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000342691694 475628451 /nfs/dbraw/zinc/62/84/51/475628451.db2.gz IRELNKAUZRLLLD-JKQORVJESA-N 1 3 335.517 2.635 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c2ccccc2)CC1 ZINC000342718813 475631349 /nfs/dbraw/zinc/63/13/49/475631349.db2.gz FROYNVVSTBAUPH-YZGWKJHDSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H](N[C@H](CO)CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000358381043 475633647 /nfs/dbraw/zinc/63/36/47/475633647.db2.gz YNCSNFNWRCTJLK-OCCSQVGLSA-N 1 3 334.382 2.591 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000358380199 475633687 /nfs/dbraw/zinc/63/36/87/475633687.db2.gz MLGGFRRWTISAMC-JFIYKMOQSA-N 1 3 331.504 2.790 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339947698 475634098 /nfs/dbraw/zinc/63/40/98/475634098.db2.gz RFAVACCVCYPERP-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000358380201 475634680 /nfs/dbraw/zinc/63/46/80/475634680.db2.gz MLGGFRRWTISAMC-LZLYRXPVSA-N 1 3 331.504 2.790 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338170083 475647100 /nfs/dbraw/zinc/64/71/00/475647100.db2.gz KZDKXXQHIVZXNJ-KDOFPFPSSA-N 1 3 337.458 2.815 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000355096694 475664820 /nfs/dbraw/zinc/66/48/20/475664820.db2.gz QXZMBOLYTZRHPW-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H]1CN(c2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCO1 ZINC000297313296 475702718 /nfs/dbraw/zinc/70/27/18/475702718.db2.gz CAINFXMHCIEAIT-BPIHKTFHSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361747829 475716692 /nfs/dbraw/zinc/71/66/92/475716692.db2.gz DUYGNZNOCXAKFF-HOTGVXAUSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000361747829 475716700 /nfs/dbraw/zinc/71/67/00/475716700.db2.gz DUYGNZNOCXAKFF-HOTGVXAUSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)[C@H]1CCCN(C2CCC2)C1 ZINC000361747829 475716708 /nfs/dbraw/zinc/71/67/08/475716708.db2.gz DUYGNZNOCXAKFF-HOTGVXAUSA-N 1 3 330.476 2.653 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C ZINC000361747990 475716736 /nfs/dbraw/zinc/71/67/36/475716736.db2.gz FVJKCIURBBJGCL-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@@H]1C ZINC000361747990 475716742 /nfs/dbraw/zinc/71/67/42/475716742.db2.gz FVJKCIURBBJGCL-LPHOPBHVSA-N 1 3 346.519 2.762 20 0 EFADHO CC[NH+](CC)CC1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000343046021 475718649 /nfs/dbraw/zinc/71/86/49/475718649.db2.gz PKEBRULIMWNMLD-GOSISDBHSA-N 1 3 345.531 2.788 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358504669 475732871 /nfs/dbraw/zinc/73/28/71/475732871.db2.gz HMHPBZUMDLGMHV-INIZCTEOSA-N 1 3 329.488 2.502 20 0 EFADHO CC(C)[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358508215 475733995 /nfs/dbraw/zinc/73/39/95/475733995.db2.gz OTCHDGRTIVHOEP-LJQANCHMSA-N 1 3 329.488 2.575 20 0 EFADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358509635 475736844 /nfs/dbraw/zinc/73/68/44/475736844.db2.gz QLZAEWPJZLHULG-AWEZNQCLSA-N 1 3 335.879 2.593 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C[C@H]1C ZINC000361772601 475737539 /nfs/dbraw/zinc/73/75/39/475737539.db2.gz YUFRVEPDZPGDLH-MHORFTMASA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)C[C@H]1C ZINC000361772601 475737546 /nfs/dbraw/zinc/73/75/46/475737546.db2.gz YUFRVEPDZPGDLH-MHORFTMASA-N 1 3 338.540 2.621 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000353167002 475739309 /nfs/dbraw/zinc/73/93/09/475739309.db2.gz XTUSNUPLWRWSEZ-PZJWPPBQSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000353167002 475739316 /nfs/dbraw/zinc/73/93/16/475739316.db2.gz XTUSNUPLWRWSEZ-PZJWPPBQSA-N 1 3 345.531 2.811 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358515682 475739647 /nfs/dbraw/zinc/73/96/47/475739647.db2.gz NDUXARLVYFAFRF-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361772602 475739853 /nfs/dbraw/zinc/73/98/53/475739853.db2.gz YUFRVEPDZPGDLH-OWSLCNJRSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)C[C@@H]1C ZINC000361772602 475739862 /nfs/dbraw/zinc/73/98/62/475739862.db2.gz YUFRVEPDZPGDLH-OWSLCNJRSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521168 475742692 /nfs/dbraw/zinc/74/26/92/475742692.db2.gz XELNAXWCEMYZOT-CVEARBPZSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(C1)CC[NH2+]CC2 ZINC000358521174 475742918 /nfs/dbraw/zinc/74/29/18/475742918.db2.gz XELNAXWCEMYZOT-JKSUJKDBSA-N 1 3 347.528 2.876 20 0 EFADHO CC[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358519941 475743052 /nfs/dbraw/zinc/74/30/52/475743052.db2.gz UIWQQAMKMKPFRZ-QGZVFWFLSA-N 1 3 349.906 2.983 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000353182692 475749374 /nfs/dbraw/zinc/74/93/74/475749374.db2.gz JYPUYCRAPIGMRO-YJBOKZPZSA-N 1 3 333.476 2.863 20 0 EFADHO CCCC[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000353182692 475749379 /nfs/dbraw/zinc/74/93/79/475749379.db2.gz JYPUYCRAPIGMRO-YJBOKZPZSA-N 1 3 333.476 2.863 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000353182689 475750212 /nfs/dbraw/zinc/75/02/12/475750212.db2.gz JYPUYCRAPIGMRO-CRAIPNDOSA-N 1 3 333.476 2.863 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000353182689 475750222 /nfs/dbraw/zinc/75/02/22/475750222.db2.gz JYPUYCRAPIGMRO-CRAIPNDOSA-N 1 3 333.476 2.863 20 0 EFADHO CCN1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000338289402 475750873 /nfs/dbraw/zinc/75/08/73/475750873.db2.gz XTZOYKUIWBBLDR-HOTGVXAUSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000353186174 475753097 /nfs/dbraw/zinc/75/30/97/475753097.db2.gz QGMLZPPDZUEMNR-MAUKXSAKSA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000353186174 475753104 /nfs/dbraw/zinc/75/31/04/475753104.db2.gz QGMLZPPDZUEMNR-MAUKXSAKSA-N 1 3 333.476 2.719 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000338293171 475754419 /nfs/dbraw/zinc/75/44/19/475754419.db2.gz WXGISIFAQLKNOJ-SJORKVTESA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000338293171 475754425 /nfs/dbraw/zinc/75/44/25/475754425.db2.gz WXGISIFAQLKNOJ-SJORKVTESA-N 1 3 338.540 2.528 20 0 EFADHO [NH3+]CCCOC1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000346678782 475757097 /nfs/dbraw/zinc/75/70/97/475757097.db2.gz LVHXRBFUNRGQLT-UHFFFAOYSA-N 1 3 332.423 2.546 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000348567820 475762453 /nfs/dbraw/zinc/76/24/53/475762453.db2.gz FWJDBIJETGOINA-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000348567820 475762457 /nfs/dbraw/zinc/76/24/57/475762457.db2.gz FWJDBIJETGOINA-LJQANCHMSA-N 1 3 346.519 2.682 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)N(C)C)cc1 ZINC000338307485 475767555 /nfs/dbraw/zinc/76/75/55/475767555.db2.gz PWGUMJDMWGDHQJ-SFHVURJKSA-N 1 3 346.519 2.771 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CN2CCC(OCCC[NH3+])CC2)c1 ZINC000346695186 475770079 /nfs/dbraw/zinc/77/00/79/475770079.db2.gz YSLQVJKMRKQCQA-UHFFFAOYSA-N 1 3 328.460 2.715 20 0 EFADHO CCCOc1cc(CN2CCC(OCCC[NH3+])CC2)ccc1OC ZINC000346695012 475770451 /nfs/dbraw/zinc/77/04/51/475770451.db2.gz XSMWOJUMMUPGGZ-UHFFFAOYSA-N 1 3 336.476 2.814 20 0 EFADHO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343102832 475770887 /nfs/dbraw/zinc/77/08/87/475770887.db2.gz NJQQHSNIGBZFHH-PBHICJAKSA-N 1 3 335.879 2.504 20 0 EFADHO CSC1(CNCc2ccc(Br)o2)CC[NH+](C)CC1 ZINC000353232493 475789562 /nfs/dbraw/zinc/78/95/62/475789562.db2.gz VQGVRGBTWBGLDX-UHFFFAOYSA-N 1 3 333.295 2.959 20 0 EFADHO COc1ccc2c(c1)C(C)(C)C[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000353240120 475795072 /nfs/dbraw/zinc/79/50/72/475795072.db2.gz YDDMWWPATBNUCA-IBGZPJMESA-N 1 3 332.488 2.854 20 0 EFADHO C[C@@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000338346269 475809477 /nfs/dbraw/zinc/80/94/77/475809477.db2.gz DZDWWSHMFYDAFM-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccsc1 ZINC000348674454 475811050 /nfs/dbraw/zinc/81/10/50/475811050.db2.gz OCBLQIHQTKDTBL-WBVHZDCISA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1ccsc1 ZINC000348674454 475811057 /nfs/dbraw/zinc/81/10/57/475811057.db2.gz OCBLQIHQTKDTBL-WBVHZDCISA-N 1 3 337.533 2.726 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000343154312 475813663 /nfs/dbraw/zinc/81/36/63/475813663.db2.gz QMIZVDSUBRMFAB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000343154312 475813672 /nfs/dbraw/zinc/81/36/72/475813672.db2.gz QMIZVDSUBRMFAB-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cccc4c3OCCCO4)CC2)C1 ZINC000333106725 475840173 /nfs/dbraw/zinc/84/01/73/475840173.db2.gz FTUXPNQBGJWUHA-IEBWSBKVSA-N 1 3 346.471 2.566 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cccc4c3OCCCO4)CC2)C1 ZINC000333106727 475840389 /nfs/dbraw/zinc/84/03/89/475840389.db2.gz FTUXPNQBGJWUHA-PKOBYXMFSA-N 1 3 346.471 2.566 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353294641 475844844 /nfs/dbraw/zinc/84/48/44/475844844.db2.gz KMRJZHZEHRYJNP-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000353294641 475844848 /nfs/dbraw/zinc/84/48/48/475844848.db2.gz KMRJZHZEHRYJNP-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)CC[NH2+]1 ZINC000358680816 475855598 /nfs/dbraw/zinc/85/55/98/475855598.db2.gz BYEXEVWHHIBWFC-IRXDYDNUSA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000358689237 475861355 /nfs/dbraw/zinc/86/13/55/475861355.db2.gz LLVMVLVFNXWNSS-DLBZAZTESA-N 1 3 344.503 2.544 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H](C)C1 ZINC000346793571 475863742 /nfs/dbraw/zinc/86/37/42/475863742.db2.gz LRFIKMDYEKPNQI-JYBIWHBTSA-N 1 3 345.531 2.690 20 0 EFADHO C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC[NH2+]1 ZINC000358701914 475870282 /nfs/dbraw/zinc/87/02/82/475870282.db2.gz ZEJPBPVPSFZGJT-PNBKFKSVSA-N 1 3 335.517 2.635 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333210482 475871057 /nfs/dbraw/zinc/87/10/57/475871057.db2.gz ZPCUISGCDWMWRR-IEBWSBKVSA-N 1 3 348.535 2.973 20 0 EFADHO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCCN1C ZINC000346805545 475873457 /nfs/dbraw/zinc/87/34/57/475873457.db2.gz PWWFFKYWKBBPHZ-GHRYLNIYSA-N 1 3 327.516 2.969 20 0 EFADHO FC(F)(F)c1cccc(OCCNC2CC[NH+](C3CC3)CC2)n1 ZINC000297749691 475874884 /nfs/dbraw/zinc/87/48/84/475874884.db2.gz UERJBMGFPUAVSF-UHFFFAOYSA-N 1 3 329.366 2.696 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@@H]3CCn4ccnc43)CC2)cc1 ZINC000297834047 475900954 /nfs/dbraw/zinc/90/09/54/475900954.db2.gz RZDSQPJASJTCJM-LJQANCHMSA-N 1 3 340.471 2.838 20 0 EFADHO NCc1cccnc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000333317433 475903470 /nfs/dbraw/zinc/90/34/70/475903470.db2.gz MLPIYEDDYPTLFC-UHFFFAOYSA-N 1 3 345.491 2.660 20 0 EFADHO NCc1cccnc1NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000333317433 475903477 /nfs/dbraw/zinc/90/34/77/475903477.db2.gz MLPIYEDDYPTLFC-UHFFFAOYSA-N 1 3 345.491 2.660 20 0 EFADHO Cc1nn(-c2ccccc2)c(C)c1CN1CCC(OCCC[NH3+])CC1 ZINC000346841373 475903445 /nfs/dbraw/zinc/90/34/45/475903445.db2.gz VTJKOYNLDRCGEB-UHFFFAOYSA-N 1 3 342.487 2.819 20 0 EFADHO CC(C)N1CCCC[C@H]1C[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000340274076 475906942 /nfs/dbraw/zinc/90/69/42/475906942.db2.gz AKELQNDJMFBLJG-ZRNYENFQSA-N 1 3 337.552 2.823 20 0 EFADHO CC(C)N1CCCC[C@H]1C[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000340274076 475906948 /nfs/dbraw/zinc/90/69/48/475906948.db2.gz AKELQNDJMFBLJG-ZRNYENFQSA-N 1 3 337.552 2.823 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](N(C)C)C2)[C@@H](C)C1 ZINC000361973761 475907781 /nfs/dbraw/zinc/90/77/81/475907781.db2.gz YMRNLEPGDRYOTP-RDGPPVDQSA-N 1 3 325.541 2.586 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000355410639 475913416 /nfs/dbraw/zinc/91/34/16/475913416.db2.gz HXVQTIDNZBBMLM-YVWKXTFCSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000338466138 475933187 /nfs/dbraw/zinc/93/31/87/475933187.db2.gz RCQZXFITIFICNT-WMZOPIPTSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000338466138 475933191 /nfs/dbraw/zinc/93/31/91/475933191.db2.gz RCQZXFITIFICNT-WMZOPIPTSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000338466136 475933278 /nfs/dbraw/zinc/93/32/78/475933278.db2.gz RCQZXFITIFICNT-FUHWJXTLSA-N 1 3 344.503 2.605 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000338466136 475933283 /nfs/dbraw/zinc/93/32/83/475933283.db2.gz RCQZXFITIFICNT-FUHWJXTLSA-N 1 3 344.503 2.605 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](CC)C2CC2)N(C)C)cc1 ZINC000338476498 475941451 /nfs/dbraw/zinc/94/14/51/475941451.db2.gz IFDZARQPNWIAIG-LJQANCHMSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](CC)C2CC2)N(C)C)cc1 ZINC000338476498 475941457 /nfs/dbraw/zinc/94/14/57/475941457.db2.gz IFDZARQPNWIAIG-LJQANCHMSA-N 1 3 346.519 2.635 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297978240 475942859 /nfs/dbraw/zinc/94/28/59/475942859.db2.gz ZIUYIPKVWNOOKA-ALOPSCKCSA-N 1 3 330.476 2.537 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297978240 475942864 /nfs/dbraw/zinc/94/28/64/475942864.db2.gz ZIUYIPKVWNOOKA-ALOPSCKCSA-N 1 3 330.476 2.537 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410404 475945876 /nfs/dbraw/zinc/94/58/76/475945876.db2.gz XGPUAQICBRHZNO-TUFLPTIASA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410404 475945886 /nfs/dbraw/zinc/94/58/86/475945886.db2.gz XGPUAQICBRHZNO-TUFLPTIASA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@H]4COCCO4)[C@H]3C2)cc1 ZINC000353410404 475945893 /nfs/dbraw/zinc/94/58/93/475945893.db2.gz XGPUAQICBRHZNO-TUFLPTIASA-N 1 3 344.499 2.682 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1)C(C)C ZINC000343332473 475956502 /nfs/dbraw/zinc/95/65/02/475956502.db2.gz GXHRNFZUBLRDGA-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1)C(C)C ZINC000343332473 475956512 /nfs/dbraw/zinc/95/65/12/475956512.db2.gz GXHRNFZUBLRDGA-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)N(C)C ZINC000353432579 475962666 /nfs/dbraw/zinc/96/26/66/475962666.db2.gz CCKIYLKLIWZSNT-AITUJVMLSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000355470930 475966448 /nfs/dbraw/zinc/96/64/48/475966448.db2.gz HDRDCCVXQSVDCI-KRWDZBQOSA-N 1 3 344.503 2.518 20 0 EFADHO C[NH+](C)CC1CCN(Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000353443741 475972398 /nfs/dbraw/zinc/97/23/98/475972398.db2.gz AFGDYWMJENWAGA-UHFFFAOYSA-N 1 3 333.867 2.694 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1)C1CC1 ZINC000343354930 475981040 /nfs/dbraw/zinc/98/10/40/475981040.db2.gz YNKQTAQIFXXUBT-UHFFFAOYSA-N 1 3 327.472 2.663 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1)C1CC1 ZINC000343354930 475981048 /nfs/dbraw/zinc/98/10/48/475981048.db2.gz YNKQTAQIFXXUBT-UHFFFAOYSA-N 1 3 327.472 2.663 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CCN(C2CC2)C1)[NH+](C)C ZINC000353457112 475985282 /nfs/dbraw/zinc/98/52/82/475985282.db2.gz QQYWXZYLAZCQBL-GJYPPUQNSA-N 1 3 344.503 2.522 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@H](CN)c2ccc(F)cc2)CCCCCC1 ZINC000358850270 475985595 /nfs/dbraw/zinc/98/55/95/475985595.db2.gz RWBJIIHKZWVQMQ-QGZVFWFLSA-N 1 3 335.467 2.639 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000353464755 475991609 /nfs/dbraw/zinc/99/16/09/475991609.db2.gz YSZDWTFXRAQMBW-IHPCNDPISA-N 1 3 343.515 2.744 20 0 EFADHO CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343369144 475993937 /nfs/dbraw/zinc/99/39/37/475993937.db2.gz KPXAMNPJDMZENL-DOADOZAASA-N 1 3 348.535 2.988 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000349739327 475994517 /nfs/dbraw/zinc/99/45/17/475994517.db2.gz BQAOXDKXZJRXPH-QZTJIDSGSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H](CN)c2ccc(F)cc2)CC1 ZINC000358866707 475999415 /nfs/dbraw/zinc/99/94/15/475999415.db2.gz RSNCJZPVJIDSLA-LJQANCHMSA-N 1 3 349.494 2.742 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000355524370 476006644 /nfs/dbraw/zinc/00/66/44/476006644.db2.gz LDMDRJQNLVTBSC-HKUYNNGSSA-N 1 3 346.519 2.805 20 0 EFADHO CN(CCN1CCCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000353499289 476023264 /nfs/dbraw/zinc/02/32/64/476023264.db2.gz IVAOYNBOOLCQKE-UHFFFAOYSA-N 1 3 344.503 2.520 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1)C1CC1 ZINC000343414970 476043820 /nfs/dbraw/zinc/04/38/20/476043820.db2.gz KJESGXMBTIAXRB-KXBFYZLASA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCCN(C)[C@H]2C)cc1)C1CC1 ZINC000343414970 476043823 /nfs/dbraw/zinc/04/38/23/476043823.db2.gz KJESGXMBTIAXRB-KXBFYZLASA-N 1 3 329.488 2.883 20 0 EFADHO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCN1CCCN(C)CC1 ZINC000353522501 476044629 /nfs/dbraw/zinc/04/46/29/476044629.db2.gz RRWDRCNLONTHJX-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525338 476046326 /nfs/dbraw/zinc/04/63/26/476046326.db2.gz YJMPBHBYPYYLGI-BSDSXHPESA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525338 476046333 /nfs/dbraw/zinc/04/63/33/476046333.db2.gz YJMPBHBYPYYLGI-BSDSXHPESA-N 1 3 338.442 2.893 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(F)F ZINC000353525338 476046337 /nfs/dbraw/zinc/04/63/37/476046337.db2.gz YJMPBHBYPYYLGI-BSDSXHPESA-N 1 3 338.442 2.893 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000298291154 476046720 /nfs/dbraw/zinc/04/67/20/476046720.db2.gz CSLRDLXACUVFQU-TZMCWYRMSA-N 1 3 332.366 2.693 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343421594 476049784 /nfs/dbraw/zinc/04/97/84/476049784.db2.gz DGNQJOZMLHASDR-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000343421594 476049793 /nfs/dbraw/zinc/04/97/93/476049793.db2.gz DGNQJOZMLHASDR-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1nc2ccccc2nc1CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333901796 476059680 /nfs/dbraw/zinc/05/96/80/476059680.db2.gz ZHWYMTHCWJITGP-UZLBHIALSA-N 1 3 340.471 2.657 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000347050915 476063166 /nfs/dbraw/zinc/06/31/66/476063166.db2.gz XJNIROGCHQROJW-OAHLLOKOSA-N 1 3 337.483 2.883 20 0 EFADHO CC(C)[C@@H](CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000343655228 476098408 /nfs/dbraw/zinc/09/84/08/476098408.db2.gz OGMRHKULPBEPMJ-FGTMMUONSA-N 1 3 338.540 2.525 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000359010403 476111336 /nfs/dbraw/zinc/11/13/36/476111336.db2.gz OGJUPNDJBFVYLB-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000359015268 476115865 /nfs/dbraw/zinc/11/58/65/476115865.db2.gz XLRRRGCMSRJRMR-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000359015268 476115871 /nfs/dbraw/zinc/11/58/71/476115871.db2.gz XLRRRGCMSRJRMR-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000356614076 476117294 /nfs/dbraw/zinc/11/72/94/476117294.db2.gz SVGDJCLVUMLIKU-CEXWTWQISA-N 1 3 346.519 2.700 20 0 EFADHO c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000353606017 476117388 /nfs/dbraw/zinc/11/73/88/476117388.db2.gz CYWQKWHYZMOXPF-VJANTYMQSA-N 1 3 336.483 2.767 20 0 EFADHO c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000353606017 476117394 /nfs/dbraw/zinc/11/73/94/476117394.db2.gz CYWQKWHYZMOXPF-VJANTYMQSA-N 1 3 336.483 2.767 20 0 EFADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000353606014 476118610 /nfs/dbraw/zinc/11/86/10/476118610.db2.gz CYWQKWHYZMOXPF-MANSERQUSA-N 1 3 336.483 2.767 20 0 EFADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000353606014 476118616 /nfs/dbraw/zinc/11/86/16/476118616.db2.gz CYWQKWHYZMOXPF-MANSERQUSA-N 1 3 336.483 2.767 20 0 EFADHO CC(C)N1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000298512884 476121934 /nfs/dbraw/zinc/12/19/34/476121934.db2.gz QZDSTJDQZNNLDF-QGZVFWFLSA-N 1 3 331.504 2.874 20 0 EFADHO c1ccc(CN2CC[C@@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000336651135 476122155 /nfs/dbraw/zinc/12/21/55/476122155.db2.gz DPPCWPGCAXOFMC-HXUWFJFHSA-N 1 3 336.483 2.915 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cccc(NC(C)=O)c2)C1 ZINC000350287594 476122346 /nfs/dbraw/zinc/12/23/46/476122346.db2.gz PZEOVWNPVBMPJU-IBGZPJMESA-N 1 3 333.476 2.578 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[NH+](CC)CC ZINC000343844310 476124186 /nfs/dbraw/zinc/12/41/86/476124186.db2.gz WLYSYXCCVAEMTG-QXAKKESOSA-N 1 3 331.504 2.886 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)[NH+](CC)CC ZINC000343844304 476124411 /nfs/dbraw/zinc/12/44/11/476124411.db2.gz WLYSYXCCVAEMTG-NZSAHSFTSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(=O)N1CCCCC1 ZINC000336795951 476133608 /nfs/dbraw/zinc/13/36/08/476133608.db2.gz OLDGBPLZRHLALS-BJLQDIEVSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(CCC(=O)Nc2ccccc2C)C1 ZINC000350325716 476136085 /nfs/dbraw/zinc/13/60/85/476136085.db2.gz JGKVNVDSEBBGKY-SFHVURJKSA-N 1 3 347.503 2.756 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359039957 476136489 /nfs/dbraw/zinc/13/64/89/476136489.db2.gz OAHOOTCZIFCGMS-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000359039957 476136493 /nfs/dbraw/zinc/13/64/93/476136493.db2.gz OAHOOTCZIFCGMS-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CSC1(CN[C@H](C)c2cnc3cc(C)nn3c2C)CC[NH+](C)CC1 ZINC000353632821 476140792 /nfs/dbraw/zinc/14/07/92/476140792.db2.gz VEHFMFCAQUXJCI-CQSZACIVSA-N 1 3 347.532 2.824 20 0 EFADHO CSC1(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CCN(C)CC1 ZINC000353632821 476140797 /nfs/dbraw/zinc/14/07/97/476140797.db2.gz VEHFMFCAQUXJCI-CQSZACIVSA-N 1 3 347.532 2.824 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749923 476155161 /nfs/dbraw/zinc/15/51/61/476155161.db2.gz NXAQOBJRJUQOTO-MDZRGWNJSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749920 476155673 /nfs/dbraw/zinc/15/56/73/476155673.db2.gz NXAQOBJRJUQOTO-FCEWJHQRSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749920 476155681 /nfs/dbraw/zinc/15/56/81/476155681.db2.gz NXAQOBJRJUQOTO-FCEWJHQRSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000338757151 476161993 /nfs/dbraw/zinc/16/19/93/476161993.db2.gz OOSPEOSHVSTGEK-CKEIUWERSA-N 1 3 337.895 2.932 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000338761932 476166017 /nfs/dbraw/zinc/16/60/17/476166017.db2.gz GBRVNQFKVPLYDD-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000338761932 476166026 /nfs/dbraw/zinc/16/60/26/476166026.db2.gz GBRVNQFKVPLYDD-LJQANCHMSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000338761931 476167206 /nfs/dbraw/zinc/16/72/06/476167206.db2.gz GBRVNQFKVPLYDD-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C(C)C ZINC000338761931 476167217 /nfs/dbraw/zinc/16/72/17/476167217.db2.gz GBRVNQFKVPLYDD-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO COc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c(OC)c1OC ZINC000357043471 476181631 /nfs/dbraw/zinc/18/16/31/476181631.db2.gz GIIGIEQAKFZZQF-OAHLLOKOSA-N 1 3 334.460 2.534 20 0 EFADHO c1ccc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)nc1 ZINC000336894085 476186062 /nfs/dbraw/zinc/18/60/62/476186062.db2.gz WBDBAXODVCRCIP-UHFFFAOYSA-N 1 3 337.471 2.704 20 0 EFADHO COCCOc1ccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000357059301 476195545 /nfs/dbraw/zinc/19/55/45/476195545.db2.gz WVIGCUIPEGCPEM-GOSISDBHSA-N 1 3 348.487 2.542 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000344265055 476200007 /nfs/dbraw/zinc/20/00/07/476200007.db2.gz YVFAYEBCRUPMFC-APWZRJJASA-N 1 3 344.503 2.564 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083230 476216793 /nfs/dbraw/zinc/21/67/93/476216793.db2.gz ORTXZSAHSNZURP-DAYGRLMNSA-N 1 3 347.478 2.713 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357086171 476219648 /nfs/dbraw/zinc/21/96/48/476219648.db2.gz SZYBTJGPOLXURC-HXUWFJFHSA-N 1 3 343.515 2.894 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCN1C ZINC000344296109 476225774 /nfs/dbraw/zinc/22/57/74/476225774.db2.gz QKUDVRVJNZPRLB-CRAIPNDOSA-N 1 3 336.524 2.565 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)C[C@H]1C)N1CCCC1 ZINC000359366334 476227040 /nfs/dbraw/zinc/22/70/40/476227040.db2.gz VHPJQIOBTGHOOT-QRQLOZEOSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C[C@H]1C)N1CCCC1 ZINC000359366334 476227045 /nfs/dbraw/zinc/22/70/45/476227045.db2.gz VHPJQIOBTGHOOT-QRQLOZEOSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC1 ZINC000359366334 476227054 /nfs/dbraw/zinc/22/70/54/476227054.db2.gz VHPJQIOBTGHOOT-QRQLOZEOSA-N 1 3 331.504 2.762 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000350520013 476228360 /nfs/dbraw/zinc/22/83/60/476228360.db2.gz RCJMJUSDPYQOIR-ZIFCJYIRSA-N 1 3 346.519 2.851 20 0 EFADHO COc1ccc(Cl)cc1C[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357102123 476233934 /nfs/dbraw/zinc/23/39/34/476233934.db2.gz IKPKPKJLQDNGRP-CQSZACIVSA-N 1 3 326.868 2.578 20 0 EFADHO COc1ccc2nc(CNCCCC[N@@H+]3CCC[C@H]3CO)sc2c1 ZINC000353743259 476235662 /nfs/dbraw/zinc/23/56/62/476235662.db2.gz XWHMOEYKCKYPCO-AWEZNQCLSA-N 1 3 349.500 2.631 20 0 EFADHO COc1ccc2nc(CNCCCC[N@H+]3CCC[C@H]3CO)sc2c1 ZINC000353743259 476235666 /nfs/dbraw/zinc/23/56/66/476235666.db2.gz XWHMOEYKCKYPCO-AWEZNQCLSA-N 1 3 349.500 2.631 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303449182 476236309 /nfs/dbraw/zinc/23/63/09/476236309.db2.gz HXKFCZNIHBFLSA-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303449182 476236316 /nfs/dbraw/zinc/23/63/16/476236316.db2.gz HXKFCZNIHBFLSA-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000353748330 476243971 /nfs/dbraw/zinc/24/39/71/476243971.db2.gz HXGUQUMAQANWBQ-BQFCYCMXSA-N 1 3 348.487 2.932 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C[C@@H]1C ZINC000353748330 476243980 /nfs/dbraw/zinc/24/39/80/476243980.db2.gz HXGUQUMAQANWBQ-BQFCYCMXSA-N 1 3 348.487 2.932 20 0 EFADHO CC(C)CO[C@H]1C[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000344316397 476244869 /nfs/dbraw/zinc/24/48/69/476244869.db2.gz ZQXNVAORBHGMAG-MSOLQXFVSA-N 1 3 349.519 2.951 20 0 EFADHO CC[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)[NH+](CC)CC ZINC000359674218 476258015 /nfs/dbraw/zinc/25/80/15/476258015.db2.gz DMEUJGZWJWLCIS-RBUKOAKNSA-N 1 3 331.504 2.840 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000359717388 476260637 /nfs/dbraw/zinc/26/06/37/476260637.db2.gz UYIUYUCWOBGWNS-RTBURBONSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000359717388 476260644 /nfs/dbraw/zinc/26/06/44/476260644.db2.gz UYIUYUCWOBGWNS-RTBURBONSA-N 1 3 331.504 2.745 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000357163184 476270137 /nfs/dbraw/zinc/27/01/37/476270137.db2.gz RKTVXZJMRMBXJA-FQEVSTJZSA-N 1 3 347.503 2.582 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000357163186 476270719 /nfs/dbraw/zinc/27/07/19/476270719.db2.gz RKTVXZJMRMBXJA-HXUWFJFHSA-N 1 3 347.503 2.582 20 0 EFADHO C[N@@H+]1CC[C@@H]2CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC000359903722 476272468 /nfs/dbraw/zinc/27/24/68/476272468.db2.gz SUXSLNHTOZLKSK-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CC[C@@H]2CCN(C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 ZINC000359903722 476272472 /nfs/dbraw/zinc/27/24/72/476272472.db2.gz SUXSLNHTOZLKSK-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000360214342 476295031 /nfs/dbraw/zinc/29/50/31/476295031.db2.gz VOXQCHCKMGRCAM-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000353880613 476310609 /nfs/dbraw/zinc/31/06/09/476310609.db2.gz JOLZCZTUQJLLSP-PKOBYXMFSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000353880613 476310612 /nfs/dbraw/zinc/31/06/12/476310612.db2.gz JOLZCZTUQJLLSP-PKOBYXMFSA-N 1 3 331.504 2.564 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)CN2CCCC2)c2ccccc2C1 ZINC000360672351 476336408 /nfs/dbraw/zinc/33/64/08/476336408.db2.gz NOFKJPKUKFFROB-UZLBHIALSA-N 1 3 329.488 2.801 20 0 EFADHO [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357360290 476345498 /nfs/dbraw/zinc/34/54/98/476345498.db2.gz CQBBOCMIXYZFIN-PKOBYXMFSA-N 1 3 347.478 2.768 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000357360286 476345749 /nfs/dbraw/zinc/34/57/49/476345749.db2.gz CQBBOCMIXYZFIN-HKUYNNGSSA-N 1 3 347.478 2.768 20 0 EFADHO CCCN1CCC[C@@H]1C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000353985147 476347940 /nfs/dbraw/zinc/34/79/40/476347940.db2.gz BRUBWHVEHCQHTK-OTWHNJEPSA-N 1 3 325.541 2.587 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375647 476373749 /nfs/dbraw/zinc/37/37/49/476373749.db2.gz JAMJZMICODHSNT-MOPGFXCFSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375647 476373754 /nfs/dbraw/zinc/37/37/54/476373754.db2.gz JAMJZMICODHSNT-MOPGFXCFSA-N 1 3 327.472 2.639 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000354033379 476379700 /nfs/dbraw/zinc/37/97/00/476379700.db2.gz KVWXIEAPXFCLFL-UHFFFAOYSA-N 1 3 330.476 2.886 20 0 EFADHO Cc1n[nH]c(C)c1C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000354033147 476380435 /nfs/dbraw/zinc/38/04/35/476380435.db2.gz IRXRXXQRBRXSBM-HUUCEWRRSA-N 1 3 334.508 2.738 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000354080780 476412276 /nfs/dbraw/zinc/41/22/76/476412276.db2.gz CNSNQLVBFVHNBG-HXUWFJFHSA-N 1 3 342.487 2.805 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000362819856 476424989 /nfs/dbraw/zinc/42/49/89/476424989.db2.gz HXFGENSNTRPSBO-JYBIWHBTSA-N 1 3 343.515 2.696 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000362819856 476424995 /nfs/dbraw/zinc/42/49/95/476424995.db2.gz HXFGENSNTRPSBO-JYBIWHBTSA-N 1 3 343.515 2.696 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000373941148 476442744 /nfs/dbraw/zinc/44/27/44/476442744.db2.gz CISZGRBZZBULSF-USXIJHARSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000373941148 476442750 /nfs/dbraw/zinc/44/27/50/476442750.db2.gz CISZGRBZZBULSF-USXIJHARSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373941068 476443283 /nfs/dbraw/zinc/44/32/83/476443283.db2.gz AANNOHDXMXUBIW-HRCADAONSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373941068 476443286 /nfs/dbraw/zinc/44/32/86/476443286.db2.gz AANNOHDXMXUBIW-HRCADAONSA-N 1 3 331.460 2.629 20 0 EFADHO CN(c1ccccc1C[NH+]1CCC2(CCO2)CC1)C1CCN(C)CC1 ZINC000374370711 476474097 /nfs/dbraw/zinc/47/40/97/476474097.db2.gz GBODGFGZDHDBAS-UHFFFAOYSA-N 1 3 343.515 2.972 20 0 EFADHO CN(c1ccccc1CN1CCC2(CCO2)CC1)C1CC[NH+](C)CC1 ZINC000374370711 476474105 /nfs/dbraw/zinc/47/41/05/476474105.db2.gz GBODGFGZDHDBAS-UHFFFAOYSA-N 1 3 343.515 2.972 20 0 EFADHO CN(Cc1cc(F)c(F)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617931 476477382 /nfs/dbraw/zinc/47/73/82/476477382.db2.gz AZASSWDHYMIKMP-OAHLLOKOSA-N 1 3 341.421 2.704 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000354179039 476484252 /nfs/dbraw/zinc/48/42/52/476484252.db2.gz YXGLAJGMAJKOHP-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362931501 476487753 /nfs/dbraw/zinc/48/77/53/476487753.db2.gz RETRLGHPUDEIDX-UHFFFAOYSA-N 1 3 332.467 2.814 20 0 EFADHO CC(C)CCn1cccc1CN1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377633604 476488820 /nfs/dbraw/zinc/48/88/20/476488820.db2.gz VRIAZCZHIGFHBB-UHFFFAOYSA-N 1 3 346.563 2.994 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939262 476492317 /nfs/dbraw/zinc/49/23/17/476492317.db2.gz YHEOLKYXRPNFRI-APWZRJJASA-N 1 3 345.487 2.688 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939262 476492324 /nfs/dbraw/zinc/49/23/24/476492324.db2.gz YHEOLKYXRPNFRI-APWZRJJASA-N 1 3 345.487 2.688 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000351701732 476494332 /nfs/dbraw/zinc/49/43/32/476494332.db2.gz XXPCDVVWVLHFOT-HNNXBMFYSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H]([NH2+]CCCN1CCN(c2ccncc2)CC1)C1CCSCC1 ZINC000354199923 476495883 /nfs/dbraw/zinc/49/58/83/476495883.db2.gz RIOIWTTXYYWPBQ-KRWDZBQOSA-N 1 3 348.560 2.715 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000377654057 476500595 /nfs/dbraw/zinc/50/05/95/476500595.db2.gz NNHAPMBOGJTAAY-VQIMIIECSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000377654057 476500601 /nfs/dbraw/zinc/50/06/01/476500601.db2.gz NNHAPMBOGJTAAY-VQIMIIECSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccc3occc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000377654055 476500631 /nfs/dbraw/zinc/50/06/31/476500631.db2.gz NNHAPMBOGJTAAY-LPHOPBHVSA-N 1 3 327.472 2.891 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccc3occc3c2)CC[C@@H]1N1CCN(C)CC1 ZINC000377654055 476500635 /nfs/dbraw/zinc/50/06/35/476500635.db2.gz NNHAPMBOGJTAAY-LPHOPBHVSA-N 1 3 327.472 2.891 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357632036 476502822 /nfs/dbraw/zinc/50/28/22/476502822.db2.gz JPGZKNNXFBUUNH-NEWSRXKRSA-N 1 3 331.504 2.790 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000357655646 476517937 /nfs/dbraw/zinc/51/79/37/476517937.db2.gz VPZMLCVMGSQCGN-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000357655646 476517944 /nfs/dbraw/zinc/51/79/44/476517944.db2.gz VPZMLCVMGSQCGN-IEBWSBKVSA-N 1 3 346.519 2.851 20 0 EFADHO CCCN1CCC([NH2+]C[C@]2(COC)OCCc3ccccc32)CC1 ZINC000377742501 476556543 /nfs/dbraw/zinc/55/65/43/476556543.db2.gz HFIDWHCEBUHSSK-HXUWFJFHSA-N 1 3 332.488 2.565 20 0 EFADHO CC[NH+]1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000354310410 476575811 /nfs/dbraw/zinc/57/58/11/476575811.db2.gz BYDHBFYUFMMFRM-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377810762 476590948 /nfs/dbraw/zinc/59/09/48/476590948.db2.gz DVAGFLMBKRRPJT-IPMKNSEASA-N 1 3 329.488 2.562 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OCCN(C)C)c1 ZINC000377816257 476594665 /nfs/dbraw/zinc/59/46/65/476594665.db2.gz FAZFANLWQIVVAI-DLBZAZTESA-N 1 3 345.487 2.510 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000352281416 476608637 /nfs/dbraw/zinc/60/86/37/476608637.db2.gz LUMVNPSLMWLOKG-UHFFFAOYSA-N 1 3 344.503 2.518 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000357798648 476612860 /nfs/dbraw/zinc/61/28/60/476612860.db2.gz MFMKUTULRRGRPO-IAGOWNOFSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000357798648 476612865 /nfs/dbraw/zinc/61/28/65/476612865.db2.gz MFMKUTULRRGRPO-IAGOWNOFSA-N 1 3 341.455 2.851 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000357807824 476619141 /nfs/dbraw/zinc/61/91/41/476619141.db2.gz BAGNHLSDHIWXCR-AOIWGVFYSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000357807824 476619153 /nfs/dbraw/zinc/61/91/53/476619153.db2.gz BAGNHLSDHIWXCR-AOIWGVFYSA-N 1 3 346.519 2.850 20 0 EFADHO C[NH+]1CCC2(CCCN([C@@H]3CCc4ccccc4NC3=O)C2)CC1 ZINC000370005015 476628951 /nfs/dbraw/zinc/62/89/51/476628951.db2.gz HBELUTXFEQKUIM-GOSISDBHSA-N 1 3 327.472 2.748 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)N(C)C ZINC000352339156 476647311 /nfs/dbraw/zinc/64/73/11/476647311.db2.gz ADGCMDSLLHOERY-BQFCYCMXSA-N 1 3 334.508 2.626 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000352342930 476650702 /nfs/dbraw/zinc/65/07/02/476650702.db2.gz ALQQTQNMSFGZLO-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000352342930 476650703 /nfs/dbraw/zinc/65/07/03/476650703.db2.gz ALQQTQNMSFGZLO-PZJWPPBQSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357866732 476659173 /nfs/dbraw/zinc/65/91/73/476659173.db2.gz KAFREMACKZBROT-IAGOWNOFSA-N 1 3 336.524 2.591 20 0 EFADHO C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1=CCN(C)CC1 ZINC000357866732 476659177 /nfs/dbraw/zinc/65/91/77/476659177.db2.gz KAFREMACKZBROT-IAGOWNOFSA-N 1 3 336.524 2.591 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365644265 476661226 /nfs/dbraw/zinc/66/12/26/476661226.db2.gz XPFFGQBXWFRCEO-HUUCEWRRSA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365644265 476661230 /nfs/dbraw/zinc/66/12/30/476661230.db2.gz XPFFGQBXWFRCEO-HUUCEWRRSA-N 1 3 341.455 2.851 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000378332446 476694374 /nfs/dbraw/zinc/69/43/74/476694374.db2.gz GRXXNSNJTIAJBA-KRWDZBQOSA-N 1 3 333.520 2.728 20 0 EFADHO CN1CCC2(CCCN2C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000378332446 476694377 /nfs/dbraw/zinc/69/43/77/476694377.db2.gz GRXXNSNJTIAJBA-KRWDZBQOSA-N 1 3 333.520 2.728 20 0 EFADHO CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000378353413 476699055 /nfs/dbraw/zinc/69/90/55/476699055.db2.gz FOTTXLHHUSUCFU-UXHICEINSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000422137156 476706332 /nfs/dbraw/zinc/70/63/32/476706332.db2.gz PHUAEJQZFDANDK-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000422137156 476706341 /nfs/dbraw/zinc/70/63/41/476706341.db2.gz PHUAEJQZFDANDK-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443068794 476708180 /nfs/dbraw/zinc/70/81/80/476708180.db2.gz IKLXMMASDJWNGC-ZBFHGGJFSA-N 1 3 335.517 2.645 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422631206 476723378 /nfs/dbraw/zinc/72/33/78/476723378.db2.gz FGLQHRATSHLJBB-HLLBOEOZSA-N 1 3 328.460 2.974 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C[NH3+] ZINC000422636210 476725299 /nfs/dbraw/zinc/72/52/99/476725299.db2.gz MPYVHIBDYLABES-YNVMFWSZSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1CN ZINC000422636210 476725308 /nfs/dbraw/zinc/72/53/08/476725308.db2.gz MPYVHIBDYLABES-YNVMFWSZSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1CN ZINC000422636210 476725313 /nfs/dbraw/zinc/72/53/13/476725313.db2.gz MPYVHIBDYLABES-YNVMFWSZSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)N(CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C[NH3+] ZINC000422636208 476726468 /nfs/dbraw/zinc/72/64/68/476726468.db2.gz MPYVHIBDYLABES-JMVFIXPQSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000422636208 476726475 /nfs/dbraw/zinc/72/64/75/476726475.db2.gz MPYVHIBDYLABES-JMVFIXPQSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000422636208 476726479 /nfs/dbraw/zinc/72/64/79/476726479.db2.gz MPYVHIBDYLABES-JMVFIXPQSA-N 1 3 343.515 2.876 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379674635 476731638 /nfs/dbraw/zinc/73/16/38/476731638.db2.gz UYGZYEAESIDLFF-JFRXWTBNSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379661930 476731709 /nfs/dbraw/zinc/73/17/09/476731709.db2.gz GUOYTOBJNGIMKA-QWFCFKBJSA-N 1 3 343.515 2.936 20 0 EFADHO c1cc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)ccn1 ZINC000422693759 476733385 /nfs/dbraw/zinc/73/33/85/476733385.db2.gz MMKWZCGTCKPKEU-QHAWAJNXSA-N 1 3 342.531 2.946 20 0 EFADHO CCOc1cc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])ccc1OC(F)F ZINC000422695896 476733528 /nfs/dbraw/zinc/73/35/28/476733528.db2.gz QKRLMFYPGISCDE-MRVWCRGKSA-N 1 3 344.402 2.529 20 0 EFADHO c1cc(CN2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)ccn1 ZINC000422693756 476733969 /nfs/dbraw/zinc/73/39/69/476733969.db2.gz MMKWZCGTCKPKEU-PCCBWWKXSA-N 1 3 342.531 2.946 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000422699615 476736367 /nfs/dbraw/zinc/73/63/67/476736367.db2.gz ASSUVEYBDIBLSG-MAZHCROVSA-N 1 3 330.394 2.980 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381175910 476738338 /nfs/dbraw/zinc/73/83/38/476738338.db2.gz ZTYAPCZAJBCSNH-UXHICEINSA-N 1 3 343.515 2.922 20 0 EFADHO N[C@@H](CC1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381175910 476738342 /nfs/dbraw/zinc/73/83/42/476738342.db2.gz ZTYAPCZAJBCSNH-UXHICEINSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422711099 476738983 /nfs/dbraw/zinc/73/89/83/476738983.db2.gz MGGJVEXFEDRVIC-SCRDCRAPSA-N 1 3 326.282 2.743 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])C2)c1 ZINC000422713434 476739348 /nfs/dbraw/zinc/73/93/48/476739348.db2.gz PRZLKCJLQZGOOW-MDKPJZGXSA-N 1 3 339.483 2.822 20 0 EFADHO COCCN(C)CC[C@H](N[C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000422713481 476739953 /nfs/dbraw/zinc/73/99/53/476739953.db2.gz JVNMKXCSYFFBPH-AABGKKOBSA-N 1 3 333.520 2.946 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2c(F)cccc2F)CC[NH2+]CC1 ZINC000422719856 476742476 /nfs/dbraw/zinc/74/24/76/476742476.db2.gz YPJHBKIKKLYFII-QWHCGFSZSA-N 1 3 340.414 2.937 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@H](C)c2c(F)cccc2F)CC[NH2+]CC1 ZINC000422719854 476743289 /nfs/dbraw/zinc/74/32/89/476743289.db2.gz YPJHBKIKKLYFII-CHWSQXEVSA-N 1 3 340.414 2.937 20 0 EFADHO c1ccc(CCOCCCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422724083 476744764 /nfs/dbraw/zinc/74/47/64/476744764.db2.gz UJBFLRXBIHHMJU-PCCBWWKXSA-N 1 3 346.515 2.773 20 0 EFADHO c1csc([C@H](CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422728186 476747087 /nfs/dbraw/zinc/74/70/87/476747087.db2.gz FLTRRDJLIIKSSB-XDNAFOTISA-N 1 3 349.544 2.632 20 0 EFADHO c1csc([C@H](CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422728164 476747553 /nfs/dbraw/zinc/74/75/53/476747553.db2.gz FLTRRDJLIIKSSB-MLHJIOFPSA-N 1 3 349.544 2.632 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000382734979 476748079 /nfs/dbraw/zinc/74/80/79/476748079.db2.gz GOJKTCQGMADSEM-GOSISDBHSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422730601 476749040 /nfs/dbraw/zinc/74/90/40/476749040.db2.gz MHMAXBJEPOSPRM-XEZPLFJOSA-N 1 3 329.410 2.995 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422730884 476749479 /nfs/dbraw/zinc/74/94/79/476749479.db2.gz MPZLDBOMIUWBGO-AVGNSLFASA-N 1 3 331.382 2.879 20 0 EFADHO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)N(C)C)c1 ZINC000422733713 476749876 /nfs/dbraw/zinc/74/98/76/476749876.db2.gz RJJCSVPDYZLSSJ-JLTOFOAXSA-N 1 3 342.487 2.811 20 0 EFADHO CSc1nnc(CCC[NH2+][C@H]2CCNCC[C@@H]2C)n1CC(C)C ZINC000422733455 476750311 /nfs/dbraw/zinc/75/03/11/476750311.db2.gz RBOWMNYLSNEQEC-GJZGRUSLSA-N 1 3 339.553 2.566 20 0 EFADHO CN(CCCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422739222 476754269 /nfs/dbraw/zinc/75/42/69/476754269.db2.gz KVCHYAOOYCJZMI-HSALFYBXSA-N 1 3 331.504 2.650 20 0 EFADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)N)CCCC1 ZINC000422741995 476754283 /nfs/dbraw/zinc/75/42/83/476754283.db2.gz QQLCTPAACIIDNI-XYJFISCASA-N 1 3 332.488 2.849 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCCC1 ZINC000422741995 476754287 /nfs/dbraw/zinc/75/42/87/476754287.db2.gz QQLCTPAACIIDNI-XYJFISCASA-N 1 3 332.488 2.849 20 0 EFADHO CN1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1c1ccccc1 ZINC000365893325 476754409 /nfs/dbraw/zinc/75/44/09/476754409.db2.gz XPWCOJOOUGHJKT-VQTJNVASSA-N 1 3 337.467 2.923 20 0 EFADHO COc1ccccc1C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)N)CCCC1 ZINC000422741992 476755077 /nfs/dbraw/zinc/75/50/77/476755077.db2.gz QQLCTPAACIIDNI-JFIYKMOQSA-N 1 3 332.488 2.849 20 0 EFADHO COc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCCC1 ZINC000422741992 476755082 /nfs/dbraw/zinc/75/50/82/476755082.db2.gz QQLCTPAACIIDNI-JFIYKMOQSA-N 1 3 332.488 2.849 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2ccc(F)cc2F)CC[NH2+]CC1 ZINC000422745644 476755705 /nfs/dbraw/zinc/75/57/05/476755705.db2.gz MQYDMFIORWWEIG-QWHCGFSZSA-N 1 3 340.414 2.937 20 0 EFADHO CC(C)(C)c1csc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422746714 476758651 /nfs/dbraw/zinc/75/86/51/476758651.db2.gz XACXRRLAOOTAMU-SOUVJXGZSA-N 1 3 337.533 2.730 20 0 EFADHO C[C@@H](NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422758857 476763241 /nfs/dbraw/zinc/76/32/41/476763241.db2.gz JGSRRUXEMPHWFE-SCTDSRPQSA-N 1 3 331.504 2.617 20 0 EFADHO C[C@@H](NCC1(N[C@@H](C)c2ccccc2)CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422758858 476763732 /nfs/dbraw/zinc/76/37/32/476763732.db2.gz JGSRRUXEMPHWFE-YQVWRLOYSA-N 1 3 331.504 2.617 20 0 EFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291790 476766625 /nfs/dbraw/zinc/76/66/25/476766625.db2.gz DAJMAJYNOJKRNY-QUCCMNQESA-N 1 3 337.467 2.715 20 0 EFADHO N[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000386291790 476766633 /nfs/dbraw/zinc/76/66/33/476766633.db2.gz DAJMAJYNOJKRNY-QUCCMNQESA-N 1 3 337.467 2.715 20 0 EFADHO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(CN)nc3C)CC2)n1 ZINC000422763775 476766530 /nfs/dbraw/zinc/76/65/30/476766530.db2.gz PGYQDULJZPSFKQ-HNNXBMFYSA-N 1 3 339.487 2.872 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000422768558 476768162 /nfs/dbraw/zinc/76/81/62/476768162.db2.gz TXZQKTKPQSSRLE-MRXNPFEDSA-N 1 3 346.519 2.534 20 0 EFADHO O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000386641065 476768589 /nfs/dbraw/zinc/76/85/89/476768589.db2.gz TYMUFJKAYTWEDN-TZIWHRDSSA-N 1 3 349.478 2.654 20 0 EFADHO Cc1ccc(CSCCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422774524 476770425 /nfs/dbraw/zinc/77/04/25/476770425.db2.gz XITVGLKDLICRFZ-GBESFXJTSA-N 1 3 334.529 2.975 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000387493218 476770786 /nfs/dbraw/zinc/77/07/86/476770786.db2.gz ZTIYGBDZCLBZCQ-KLHDSHLOSA-N 1 3 327.513 2.950 20 0 EFADHO CCN(C(=O)OC(C)(C)C)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000387493218 476770792 /nfs/dbraw/zinc/77/07/92/476770792.db2.gz ZTIYGBDZCLBZCQ-KLHDSHLOSA-N 1 3 327.513 2.950 20 0 EFADHO COC(=O)[C@H]1C[N@H+](CCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000452006420 476771770 /nfs/dbraw/zinc/77/17/70/476771770.db2.gz OELUKUSEACYABD-OALUTQOASA-N 1 3 330.472 2.751 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](CCCN2CCCCC2)C[C@H]1c1ccccc1 ZINC000452006420 476771775 /nfs/dbraw/zinc/77/17/75/476771775.db2.gz OELUKUSEACYABD-OALUTQOASA-N 1 3 330.472 2.751 20 0 EFADHO COc1ccc([C@H](C)CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422782049 476773416 /nfs/dbraw/zinc/77/34/16/476773416.db2.gz MOODYQANPMTCHC-XFWGSAIBSA-N 1 3 332.488 2.936 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCCc1cccc(C(=O)N(C)C)c1 ZINC000422785346 476774066 /nfs/dbraw/zinc/77/40/66/476774066.db2.gz QWVRZLHANSKCHL-LPHOPBHVSA-N 1 3 331.504 2.831 20 0 EFADHO c1ccc2c(c1)C[C@H](N[C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CO2 ZINC000422787149 476774661 /nfs/dbraw/zinc/77/46/61/476774661.db2.gz RBDGZBUOAKGVNT-CDXJDZJCSA-N 1 3 336.435 2.836 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422790474 476776561 /nfs/dbraw/zinc/77/65/61/476776561.db2.gz CBPYXLBOMJYTSZ-IGCXYCKISA-N 1 3 328.859 2.608 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422790474 476776566 /nfs/dbraw/zinc/77/65/66/476776566.db2.gz CBPYXLBOMJYTSZ-IGCXYCKISA-N 1 3 328.859 2.608 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422794896 476777877 /nfs/dbraw/zinc/77/78/77/476777877.db2.gz HFEIBWHEJPXZCF-XUJVJEKNSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@H]1CN)Oc1cccc(Br)c1 ZINC000422794896 476777883 /nfs/dbraw/zinc/77/78/83/476777883.db2.gz HFEIBWHEJPXZCF-XUJVJEKNSA-N 1 3 327.266 2.933 20 0 EFADHO CN(C(=O)C1(C[NH3+])CCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388518463 476778485 /nfs/dbraw/zinc/77/84/85/476778485.db2.gz QASHWLABZAOAGE-GOSISDBHSA-N 1 3 329.488 2.629 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@H](C)O1 ZINC000365955709 476782594 /nfs/dbraw/zinc/78/25/94/476782594.db2.gz XPUXYZJHVYAILA-SOLBZPMBSA-N 1 3 326.550 2.951 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3CCCC[C@H]3CN)CC2)c1 ZINC000422801457 476783565 /nfs/dbraw/zinc/78/35/65/476783565.db2.gz BYYBMDMJJXTXDS-FPOVZHCZSA-N 1 3 344.547 2.614 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)N(CC)CC ZINC000413898032 476784122 /nfs/dbraw/zinc/78/41/22/476784122.db2.gz FYBFDXTZEVUCNQ-QGZVFWFLSA-N 1 3 339.455 2.825 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccccc1Cn1ccnc1 ZINC000422804543 476785133 /nfs/dbraw/zinc/78/51/33/476785133.db2.gz FKOFOWYEZVYANI-LAUBAEHRSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000422804543 476785140 /nfs/dbraw/zinc/78/51/40/476785140.db2.gz FKOFOWYEZVYANI-LAUBAEHRSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000389989588 476788640 /nfs/dbraw/zinc/78/86/40/476788640.db2.gz NUGHJXHEAWCLCD-VNVJMFPYSA-N 1 3 341.499 2.544 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000389994648 476789487 /nfs/dbraw/zinc/78/94/87/476789487.db2.gz PXXHFXOHKTWFDK-IZBJGVDFSA-N 1 3 343.515 2.649 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1nccn1Cc1ccccc1 ZINC000422815074 476789851 /nfs/dbraw/zinc/78/98/51/476789851.db2.gz ARQZZVPJROQWFS-MRXNPFEDSA-N 1 3 349.482 2.987 20 0 EFADHO Cc1cccc(N2CCN(CCCCN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000422815348 476790262 /nfs/dbraw/zinc/79/02/62/476790262.db2.gz XLSXSNUNLLNJPB-CTNGQTDRSA-N 1 3 344.547 2.627 20 0 EFADHO CCC(CC)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422817143 476792294 /nfs/dbraw/zinc/79/22/94/476792294.db2.gz GVCXMCHLHVXYSL-WCIQWLHISA-N 1 3 337.552 2.634 20 0 EFADHO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N1CCOCC1 ZINC000422820760 476794704 /nfs/dbraw/zinc/79/47/04/476794704.db2.gz SDOIUXPVPNFQTJ-FOIQADDNSA-N 1 3 348.535 2.636 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390781700 476799479 /nfs/dbraw/zinc/79/94/79/476799479.db2.gz RLSIQYZIAXCTHS-ROUUACIJSA-N 1 3 329.488 2.545 20 0 EFADHO CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000390781701 476799559 /nfs/dbraw/zinc/79/95/59/476799559.db2.gz RLSIQYZIAXCTHS-ZWKOTPCHSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](CN1CCCCC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422837503 476803298 /nfs/dbraw/zinc/80/32/98/476803298.db2.gz UTHDEJWTJSAXRL-IMFGXOCKSA-N 1 3 329.488 2.706 20 0 EFADHO C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(CN2CCOCC2)CCCCC1 ZINC000422851159 476810757 /nfs/dbraw/zinc/81/07/57/476810757.db2.gz ONLJTPPEYCTYDT-SLFFLAALSA-N 1 3 349.563 2.779 20 0 EFADHO C[C@@H]1CCCN(CCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422860547 476815071 /nfs/dbraw/zinc/81/50/71/476815071.db2.gz LNGANPOEXMLJOH-YVWKXTFCSA-N 1 3 329.488 2.564 20 0 EFADHO FC(F)(F)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000422864529 476816391 /nfs/dbraw/zinc/81/63/91/476816391.db2.gz VBNMQNCPLIGCAH-OWCLPIDISA-N 1 3 333.442 2.914 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422869252 476820909 /nfs/dbraw/zinc/82/09/09/476820909.db2.gz XASQXUPYOCQUCW-KDOFPFPSSA-N 1 3 333.451 2.537 20 0 EFADHO CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1=CCN(C)CC1 ZINC000392199567 476821981 /nfs/dbraw/zinc/82/19/81/476821981.db2.gz HMVOZWSRWLTREE-MRXNPFEDSA-N 1 3 325.497 2.635 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCNCC[C@@H]3C)C2)c1 ZINC000422879649 476825173 /nfs/dbraw/zinc/82/51/73/476825173.db2.gz VUVKVJOWGHJMEV-RZQQEMMASA-N 1 3 347.503 2.508 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2CN)cc1OC(F)F ZINC000422880135 476825211 /nfs/dbraw/zinc/82/52/11/476825211.db2.gz NIIKPZCLSZSJAF-KBPBESRZSA-N 1 3 328.403 2.946 20 0 EFADHO c1[nH]c2ccccc2c1CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422886638 476829270 /nfs/dbraw/zinc/82/92/70/476829270.db2.gz JIQLJTFVBWPVQC-YZGWKJHDSA-N 1 3 327.472 2.847 20 0 EFADHO CCN1CCN(Cc2ccccc2CN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422896114 476831532 /nfs/dbraw/zinc/83/15/32/476831532.db2.gz XKACNQOBKYILRX-RTWAWAEBSA-N 1 3 344.547 2.574 20 0 EFADHO Cc1cccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422897864 476833715 /nfs/dbraw/zinc/83/37/15/476833715.db2.gz KKHPPXQGFNPBMQ-RSPOEFSDSA-N 1 3 332.488 2.635 20 0 EFADHO Cc1ccc(OCCCCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422898898 476836027 /nfs/dbraw/zinc/83/60/27/476836027.db2.gz NFBKVRJPUOCVIX-HSALFYBXSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902185 476837011 /nfs/dbraw/zinc/83/70/11/476837011.db2.gz TZHNTTMNLBHMBF-DYESRHJHSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000422902185 476837013 /nfs/dbraw/zinc/83/70/13/476837013.db2.gz TZHNTTMNLBHMBF-DYESRHJHSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000422902186 476837366 /nfs/dbraw/zinc/83/73/66/476837366.db2.gz TZHNTTMNLBHMBF-LAUBAEHRSA-N 1 3 338.499 2.594 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(Cc2ccccn2)CC1 ZINC000422902186 476837376 /nfs/dbraw/zinc/83/73/76/476837376.db2.gz TZHNTTMNLBHMBF-LAUBAEHRSA-N 1 3 338.499 2.594 20 0 EFADHO Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000422900694 476838468 /nfs/dbraw/zinc/83/84/68/476838468.db2.gz QWGOCZPLMZYPDZ-VNQPRFMTSA-N 1 3 326.868 2.759 20 0 EFADHO Cc1cc(Cl)ccc1OCCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422900694 476838474 /nfs/dbraw/zinc/83/84/74/476838474.db2.gz QWGOCZPLMZYPDZ-VNQPRFMTSA-N 1 3 326.868 2.759 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422908201 476841371 /nfs/dbraw/zinc/84/13/71/476841371.db2.gz MDEJWEVARRTWOJ-OIISXLGYSA-N 1 3 325.859 2.913 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422915976 476844669 /nfs/dbraw/zinc/84/46/69/476844669.db2.gz CCUQSMFPPXBQKE-UYAOXDASSA-N 1 3 330.520 2.754 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCCc1nnc2n1CCCCC2 ZINC000422921374 476847011 /nfs/dbraw/zinc/84/70/11/476847011.db2.gz NZYZFKWSJQHDLV-DLBZAZTESA-N 1 3 333.524 2.838 20 0 EFADHO c1cc2c(cc1CCCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000422931076 476850872 /nfs/dbraw/zinc/85/08/72/476850872.db2.gz WXBYAIXPLILHOB-KURKYZTESA-N 1 3 330.472 2.901 20 0 EFADHO CC[NH2+]CC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000430545973 476852824 /nfs/dbraw/zinc/85/28/24/476852824.db2.gz BYACKJNVKGVVCX-SJORKVTESA-N 1 3 331.504 2.882 20 0 EFADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422941380 476857702 /nfs/dbraw/zinc/85/77/02/476857702.db2.gz HXHOOMMQEAXRMG-OTWHNJEPSA-N 1 3 331.460 2.534 20 0 EFADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000422949452 476861406 /nfs/dbraw/zinc/86/14/06/476861406.db2.gz VCVIKSBTOJVWQV-FXUDXRNXSA-N 1 3 338.517 2.765 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422951811 476862285 /nfs/dbraw/zinc/86/22/85/476862285.db2.gz AFQJMJALPTZQQO-IPMKNSEASA-N 1 3 341.499 2.866 20 0 EFADHO COc1ccc(C(C)(C)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422950560 476862338 /nfs/dbraw/zinc/86/23/38/476862338.db2.gz YJJMOLILXZAWHG-GBESFXJTSA-N 1 3 332.488 2.720 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NCCCNC(=O)c1ccc(F)cc1 ZINC000422955135 476864834 /nfs/dbraw/zinc/86/48/34/476864834.db2.gz IRYIMXRNPKKOQR-CRAIPNDOSA-N 1 3 335.467 2.846 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000422955903 476865116 /nfs/dbraw/zinc/86/51/16/476865116.db2.gz KEEPGJCNTNFPTD-OXJNMPFZSA-N 1 3 343.515 2.716 20 0 EFADHO CC[NH2+]CC1CCN([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000430577646 476866059 /nfs/dbraw/zinc/86/60/59/476866059.db2.gz CWYAJPWZEIZDNY-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422959064 476866482 /nfs/dbraw/zinc/86/64/82/476866482.db2.gz QJKZPDDFUINTCL-VAMGGRTRSA-N 1 3 341.499 2.819 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414076659 476866523 /nfs/dbraw/zinc/86/65/23/476866523.db2.gz YLVCDSOGBMRRFZ-IAGOWNOFSA-N 1 3 325.541 2.584 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N1CCCCCC1 ZINC000422961966 476867806 /nfs/dbraw/zinc/86/78/06/476867806.db2.gz DONXNXUSJMKFIR-WTGUMLROSA-N 1 3 337.552 2.634 20 0 EFADHO Cc1cc(Br)cn2cc(CN[C@H](C)CCC[NH3+])nc12 ZINC000423037941 476900582 /nfs/dbraw/zinc/90/05/82/476900582.db2.gz NSLQBGZZLLSISR-LLVKDONJSA-N 1 3 325.254 2.622 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](c1ccco1)N1CCCC1 ZINC000422961618 476868990 /nfs/dbraw/zinc/86/89/90/476868990.db2.gz CJWCQWFBPJHYOO-YTQUADARSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000422961618 476868994 /nfs/dbraw/zinc/86/89/94/476868994.db2.gz CJWCQWFBPJHYOO-YTQUADARSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000430581074 476869222 /nfs/dbraw/zinc/86/92/22/476869222.db2.gz NOZHMMSPFLMBSC-NWDGAFQWSA-N 1 3 327.831 2.867 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000398126943 476869255 /nfs/dbraw/zinc/86/92/55/476869255.db2.gz IHFQUABOJOEDQG-LMMKCTJWSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CN1Cc1ccccc1 ZINC000398192240 476870102 /nfs/dbraw/zinc/87/01/02/476870102.db2.gz ZVQRWQNEMDDKOI-NJAFHUGGSA-N 1 3 329.488 2.544 20 0 EFADHO CN(C)[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422968426 476869982 /nfs/dbraw/zinc/86/99/82/476869982.db2.gz WVXBOVXKJTYJSR-QKLQHJQFSA-N 1 3 341.455 2.728 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422966737 476870364 /nfs/dbraw/zinc/87/03/64/476870364.db2.gz ALZHOHJHIVDEDS-BEFAXECRSA-N 1 3 325.456 2.919 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000414126792 476873284 /nfs/dbraw/zinc/87/32/84/476873284.db2.gz FKKWGRZRZYIOOA-HZPDHXFCSA-N 1 3 325.541 2.584 20 0 EFADHO CC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000414191128 476873899 /nfs/dbraw/zinc/87/38/99/476873899.db2.gz LAYXUYDCKGIIES-IBGZPJMESA-N 1 3 337.552 2.732 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000422973098 476874161 /nfs/dbraw/zinc/87/41/61/476874161.db2.gz BGMKIPNJGXBNHI-RHSMWYFYSA-N 1 3 338.455 2.584 20 0 EFADHO CN1CCC(C[NH2+]C2CCC3(CCCC3)CC2)(N2CCOCC2)CC1 ZINC000414190637 476874201 /nfs/dbraw/zinc/87/42/01/476874201.db2.gz KQWXJQRMOZJNJU-UHFFFAOYSA-N 1 3 349.563 2.876 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422975834 476874458 /nfs/dbraw/zinc/87/44/58/476874458.db2.gz HNTBGISUQPJMEA-GIVPXCGWSA-N 1 3 345.531 2.524 20 0 EFADHO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190170 476875049 /nfs/dbraw/zinc/87/50/49/476875049.db2.gz KKZAKLLONUFYRY-OALUTQOASA-N 1 3 337.552 2.587 20 0 EFADHO CCCC1CCC([NH2+]CC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC000414205896 476876067 /nfs/dbraw/zinc/87/60/67/476876067.db2.gz XVMMHXOUTNLMIO-UHFFFAOYSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000414248291 476876541 /nfs/dbraw/zinc/87/65/41/476876541.db2.gz FPIBQSKCUBCOJS-NVXWUHKLSA-N 1 3 344.565 2.832 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007591 476878600 /nfs/dbraw/zinc/87/86/00/476878600.db2.gz ZWQXTZSMEAOBHC-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007591 476878604 /nfs/dbraw/zinc/87/86/04/476878604.db2.gz ZWQXTZSMEAOBHC-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)C1 ZINC000399007591 476878608 /nfs/dbraw/zinc/87/86/08/476878608.db2.gz ZWQXTZSMEAOBHC-ARFHVFGLSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988211 476879297 /nfs/dbraw/zinc/87/92/97/476879297.db2.gz IPOJHJUTVALPBL-CPUCHLNUSA-N 1 3 344.421 2.834 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000422988211 476879302 /nfs/dbraw/zinc/87/93/02/476879302.db2.gz IPOJHJUTVALPBL-CPUCHLNUSA-N 1 3 344.421 2.834 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000457110059 476880471 /nfs/dbraw/zinc/88/04/71/476880471.db2.gz HMJUUZOHPUDKTJ-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422991327 476882019 /nfs/dbraw/zinc/88/20/19/476882019.db2.gz PHXLMQYFGDBMBC-HSALFYBXSA-N 1 3 332.488 2.765 20 0 EFADHO CCCOc1cccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422991330 476883263 /nfs/dbraw/zinc/88/32/63/476883263.db2.gz PHXLMQYFGDBMBC-XUVXKRRUSA-N 1 3 332.488 2.765 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399537452 476883545 /nfs/dbraw/zinc/88/35/45/476883545.db2.gz VDMAVGDSGWSLSX-LPHOPBHVSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399526034 476883838 /nfs/dbraw/zinc/88/38/38/476883838.db2.gz QDKUJMPUIDQQMR-UHOSZYNNSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000399526028 476884098 /nfs/dbraw/zinc/88/40/98/476884098.db2.gz QDKUJMPUIDQQMR-NEWSRXKRSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000399371696 476884315 /nfs/dbraw/zinc/88/43/15/476884315.db2.gz KSMHCRVVGLDPLJ-SCTDSRPQSA-N 1 3 331.504 2.729 20 0 EFADHO COc1cc(NCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)cc(OC)c1 ZINC000423001016 476885889 /nfs/dbraw/zinc/88/58/89/476885889.db2.gz HIYDNOYKTNIHPW-RBUKOAKNSA-N 1 3 327.428 2.850 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000399744914 476886054 /nfs/dbraw/zinc/88/60/54/476886054.db2.gz MPOQPRQPSPIYGO-DKKFBQAASA-N 1 3 331.504 2.775 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)N(C)C)cc1 ZINC000446569014 476887197 /nfs/dbraw/zinc/88/71/97/476887197.db2.gz IXWWRKQGXMLMJL-GOSISDBHSA-N 1 3 346.519 2.635 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000414680454 476887845 /nfs/dbraw/zinc/88/78/45/476887845.db2.gz UEIIBDRQAFDPHY-HNNXBMFYSA-N 1 3 335.879 2.502 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)C1 ZINC000414680454 476887854 /nfs/dbraw/zinc/88/78/54/476887854.db2.gz UEIIBDRQAFDPHY-HNNXBMFYSA-N 1 3 335.879 2.502 20 0 EFADHO [NH3+]CC(=O)N1CCC[C@H](CN2Cc3ccccc3-c3ccccc3C2)C1 ZINC000414690070 476887883 /nfs/dbraw/zinc/88/78/83/476887883.db2.gz HOWNILWSQCVGQL-QGZVFWFLSA-N 1 3 349.478 2.867 20 0 EFADHO CC(C)[C@H](O)C(C)(C)CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004852 476888545 /nfs/dbraw/zinc/88/85/45/476888545.db2.gz QAAIQGUHYWAPJP-XKGZKEIXSA-N 1 3 332.488 2.875 20 0 EFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473798 476891668 /nfs/dbraw/zinc/89/16/68/476891668.db2.gz YZUWLUYMWWLQMP-AKBNIOSXSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400473798 476891675 /nfs/dbraw/zinc/89/16/75/476891675.db2.gz YZUWLUYMWWLQMP-AKBNIOSXSA-N 1 3 337.508 2.989 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](CC)c2c(C)noc2C)CC[NH2+]CC1 ZINC000423018779 476893616 /nfs/dbraw/zinc/89/36/16/476893616.db2.gz ZSOXIPFRYQHNCA-GJZGRUSLSA-N 1 3 337.464 2.654 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423028674 476897419 /nfs/dbraw/zinc/89/74/19/476897419.db2.gz TVDVSJCARGQPSB-ABAIWWIYSA-N 1 3 327.831 2.692 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CCCN1 ZINC000414953819 476900306 /nfs/dbraw/zinc/90/03/06/476900306.db2.gz KCTZCUKYXSLKFZ-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO COC[C@]1(C[NH2+][C@@H](C)Cc2ccc(Br)cc2)CCCN1 ZINC000414962533 476903502 /nfs/dbraw/zinc/90/35/02/476903502.db2.gz WHAJINOJTCGTRW-XJKSGUPXSA-N 1 3 341.293 2.738 20 0 EFADHO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000370636258 476907132 /nfs/dbraw/zinc/90/71/32/476907132.db2.gz RDXWUGDTAGYTSS-DYESRHJHSA-N 1 3 343.515 2.831 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1CNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000430724402 476907296 /nfs/dbraw/zinc/90/72/96/476907296.db2.gz VQVVSBLTRHHYDG-IBGZPJMESA-N 1 3 343.515 2.793 20 0 EFADHO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370634352 476907555 /nfs/dbraw/zinc/90/75/55/476907555.db2.gz LEHKGJIBOQKFNZ-AEFFLSMTSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000423054604 476908952 /nfs/dbraw/zinc/90/89/52/476908952.db2.gz VBQYDDRQMRCFAF-OBJOEFQTSA-N 1 3 343.393 2.522 20 0 EFADHO CCOC(=O)C1([C@H](C)NCc2ccc(Cl)cc2F)CC[NH2+]CC1 ZINC000423065921 476913814 /nfs/dbraw/zinc/91/38/14/476913814.db2.gz VQBOWWHYTVTDSW-LBPRGKRZSA-N 1 3 342.842 2.890 20 0 EFADHO c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NC[C@H]1CCCCN1C1CC1 ZINC000423069199 476914350 /nfs/dbraw/zinc/91/43/50/476914350.db2.gz AOYQMTCFMJRKHW-YFVAEKQCSA-N 1 3 341.499 2.849 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000366234078 476916140 /nfs/dbraw/zinc/91/61/40/476916140.db2.gz IDIMXNGXTCHEMA-CWFSZBLJSA-N 1 3 340.471 2.695 20 0 EFADHO Cc1nccn1-c1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000366234078 476916147 /nfs/dbraw/zinc/91/61/47/476916147.db2.gz IDIMXNGXTCHEMA-CWFSZBLJSA-N 1 3 340.471 2.695 20 0 EFADHO COCCOCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370653569 476916695 /nfs/dbraw/zinc/91/66/95/476916695.db2.gz ZAFAGQFETLCMKR-UHFFFAOYSA-N 1 3 332.488 2.638 20 0 EFADHO COCCOCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370653569 476916702 /nfs/dbraw/zinc/91/67/02/476916702.db2.gz ZAFAGQFETLCMKR-UHFFFAOYSA-N 1 3 332.488 2.638 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000423079206 476918051 /nfs/dbraw/zinc/91/80/51/476918051.db2.gz XRQLUXAMJLSPRR-SVIJTADQSA-N 1 3 343.446 2.805 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@H](C)C[C@@H](C)[NH3+])c2)n1 ZINC000423078464 476918341 /nfs/dbraw/zinc/91/83/41/476918341.db2.gz OMWRERQRUUCQKT-VXGBXAGGSA-N 1 3 333.457 2.812 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(OCCN(C)C)cc1 ZINC000370661436 476921354 /nfs/dbraw/zinc/92/13/54/476921354.db2.gz FZFYGEDCZGRSTO-WMLDXEAASA-N 1 3 328.460 2.558 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091945 476924085 /nfs/dbraw/zinc/92/40/85/476924085.db2.gz ZSSROGBMAXLHTD-BJJXKVORSA-N 1 3 338.293 2.745 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000423091945 476924090 /nfs/dbraw/zinc/92/40/90/476924090.db2.gz ZSSROGBMAXLHTD-BJJXKVORSA-N 1 3 338.293 2.745 20 0 EFADHO Fc1cc(F)cc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423092240 476925870 /nfs/dbraw/zinc/92/58/70/476925870.db2.gz BBNCUYWDMXXMQZ-AUEKSGIPSA-N 1 3 336.426 2.958 20 0 EFADHO CCC[C@@H](N)C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000430866341 476928476 /nfs/dbraw/zinc/92/84/76/476928476.db2.gz GTIAYQSJPHOHLS-QGZVFWFLSA-N 1 3 346.475 2.567 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2nccs2)CC1 ZINC000423114503 476932580 /nfs/dbraw/zinc/93/25/80/476932580.db2.gz ZHTNFQQFOLGJDL-WMLDXEAASA-N 1 3 330.501 2.660 20 0 EFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N(C)C)cc1 ZINC000423118423 476934596 /nfs/dbraw/zinc/93/45/96/476934596.db2.gz AMZSTWGNPXYCPR-DVWBAYGPSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423121442 476935476 /nfs/dbraw/zinc/93/54/76/476935476.db2.gz IHVGZZXLKNBHRD-WMWLNJEOSA-N 1 3 331.504 2.949 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415560483 476936860 /nfs/dbraw/zinc/93/68/60/476936860.db2.gz FVULHZKQGFJMDB-QGZVFWFLSA-N 1 3 332.492 2.690 20 0 EFADHO COc1ccc(CCN[C@H]2CC[NH2+]CC[C@H]2C)c(Cl)c1OC ZINC000423128438 476939463 /nfs/dbraw/zinc/93/94/63/476939463.db2.gz CXMWHUJYHSMECP-OCCSQVGLSA-N 1 3 326.868 2.877 20 0 EFADHO COc1ccc(CC[NH2+][C@H]2CCNCC[C@H]2C)c(Cl)c1OC ZINC000423128438 476939470 /nfs/dbraw/zinc/93/94/70/476939470.db2.gz CXMWHUJYHSMECP-OCCSQVGLSA-N 1 3 326.868 2.877 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCC(C[NH2+]C)CC2)cc1 ZINC000430936888 476942281 /nfs/dbraw/zinc/94/22/81/476942281.db2.gz XNSWOKUFKWFGHF-CVEARBPZSA-N 1 3 331.504 2.746 20 0 EFADHO CCOc1c(OC)cc(CN2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430936799 476942457 /nfs/dbraw/zinc/94/24/57/476942457.db2.gz XAWJLWVGJKXDHW-UHFFFAOYSA-N 1 3 334.460 2.678 20 0 EFADHO C[C@H]([NH3+])C1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000430936046 476943134 /nfs/dbraw/zinc/94/31/34/476943134.db2.gz WOKHGOHQRKNUDM-INIZCTEOSA-N 1 3 331.504 2.873 20 0 EFADHO C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000370704330 476944190 /nfs/dbraw/zinc/94/41/90/476944190.db2.gz YHZQGIFMAQRSEZ-LAUBAEHRSA-N 1 3 338.499 2.693 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CC[C@H]1N1CCN(C)CC1 ZINC000370704330 476944194 /nfs/dbraw/zinc/94/41/94/476944194.db2.gz YHZQGIFMAQRSEZ-LAUBAEHRSA-N 1 3 338.499 2.693 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423157036 476947831 /nfs/dbraw/zinc/94/78/31/476947831.db2.gz MGAMYDMPVKHYBB-CABCVRRESA-N 1 3 332.492 2.523 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000423157036 476947839 /nfs/dbraw/zinc/94/78/39/476947839.db2.gz MGAMYDMPVKHYBB-CABCVRRESA-N 1 3 332.492 2.523 20 0 EFADHO Cc1ccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1C ZINC000423157119 476948747 /nfs/dbraw/zinc/94/87/47/476948747.db2.gz AJLXPOJWRWIWPY-WMQCIHAUSA-N 1 3 326.484 2.755 20 0 EFADHO Cc1ccc(C[C@H](CO)N[C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1C ZINC000423157117 476949462 /nfs/dbraw/zinc/94/94/62/476949462.db2.gz AJLXPOJWRWIWPY-IOMROCGXSA-N 1 3 326.484 2.755 20 0 EFADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430957773 476949850 /nfs/dbraw/zinc/94/98/50/476949850.db2.gz UMBYIBWMTLRDJO-KBPBESRZSA-N 1 3 337.895 2.837 20 0 EFADHO CCN(C(=O)CN1CCC([C@@H](C)[NH3+])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000430959518 476950356 /nfs/dbraw/zinc/95/03/56/476950356.db2.gz ZXHSGSXDOLRXPD-CABCVRRESA-N 1 3 335.467 2.794 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CCC([C@H](C)[NH3+])CC1 ZINC000430966810 476952573 /nfs/dbraw/zinc/95/25/73/476952573.db2.gz QBMDCPULKQRTNQ-MELADBBJSA-N 1 3 337.895 2.965 20 0 EFADHO CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000423172528 476952697 /nfs/dbraw/zinc/95/26/97/476952697.db2.gz UBMCBNAOLAOGGB-HOTGVXAUSA-N 1 3 344.908 2.883 20 0 EFADHO C[C@H](NCCCN1CC[NH2+]CC1)c1ccc(F)cc1Br ZINC000423174804 476953767 /nfs/dbraw/zinc/95/37/67/476953767.db2.gz CAHKGYPKHOBFEH-LBPRGKRZSA-N 1 3 344.272 2.534 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423183917 476957524 /nfs/dbraw/zinc/95/75/24/476957524.db2.gz SJZIVFQJBJUSEN-GOSISDBHSA-N 1 3 327.476 2.969 20 0 EFADHO CC(C)c1ccc(CCNC(=O)CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431014435 476960086 /nfs/dbraw/zinc/96/00/86/476960086.db2.gz NNESEFUXJDEAEK-UHFFFAOYSA-N 1 3 343.515 2.544 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013203 476960890 /nfs/dbraw/zinc/96/08/90/476960890.db2.gz HSMGYAXYFBYNHA-IRXDYDNUSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013315 476961032 /nfs/dbraw/zinc/96/10/32/476961032.db2.gz IGPWUCOQNBJPQZ-CVEARBPZSA-N 1 3 347.528 2.876 20 0 EFADHO Cc1nc(-c2ccccc2F)sc1[C@H](C)NCCN1CC[NH2+]CC1 ZINC000423202795 476962774 /nfs/dbraw/zinc/96/27/74/476962774.db2.gz LJQIVEQPEVTBMG-ZDUSSCGKSA-N 1 3 348.491 2.813 20 0 EFADHO Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431032518 476963221 /nfs/dbraw/zinc/96/32/21/476963221.db2.gz JWWWEECTEHUKSF-SJORKVTESA-N 1 3 329.488 2.636 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1CCC2(CC[NH2+]C2)CC1 ZINC000431032517 476963333 /nfs/dbraw/zinc/96/33/33/476963333.db2.gz JWWWEECTEHUKSF-IRXDYDNUSA-N 1 3 329.488 2.636 20 0 EFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNCC3)CC[N@@H+](C2CCC2)C1 ZINC000415904232 476964129 /nfs/dbraw/zinc/96/41/29/476964129.db2.gz XYRXTVIMURISMV-OAHLLOKOSA-N 1 3 342.487 2.670 20 0 EFADHO C[C@H]1CN(C(=O)Nc2ccc3c(c2)CNCC3)CC[N@H+](C2CCC2)C1 ZINC000415904232 476964138 /nfs/dbraw/zinc/96/41/38/476964138.db2.gz XYRXTVIMURISMV-OAHLLOKOSA-N 1 3 342.487 2.670 20 0 EFADHO Clc1ccc2c(c1)[C@@H](NCCN1CC[NH2+]CC1)CCCS2 ZINC000423206349 476964423 /nfs/dbraw/zinc/96/44/23/476964423.db2.gz QNDIWSBIAIZWJQ-HNNXBMFYSA-N 1 3 325.909 2.762 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431033029 476965795 /nfs/dbraw/zinc/96/57/95/476965795.db2.gz FWYKJANJZPAGLT-SFHVURJKSA-N 1 3 329.488 2.672 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000431066434 476969164 /nfs/dbraw/zinc/96/91/64/476969164.db2.gz TUYRAMFCARUWEH-UXPWSPDFSA-N 1 3 337.467 2.681 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000431063237 476969402 /nfs/dbraw/zinc/96/94/02/476969402.db2.gz YVZXFNCRJRQJED-PKOFMYQESA-N 1 3 341.499 2.859 20 0 EFADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423239264 476972910 /nfs/dbraw/zinc/97/29/10/476972910.db2.gz JQXIDZNONBLBNX-UAFMIMERSA-N 1 3 331.504 2.557 20 0 EFADHO O=C(C1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370762852 476973293 /nfs/dbraw/zinc/97/32/93/476973293.db2.gz BYSOSPRKGDPDTO-NRFANRHFSA-N 1 3 341.499 2.501 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370764055 476973479 /nfs/dbraw/zinc/97/34/79/476973479.db2.gz UOEXFUPXRKGBGJ-NQIIRXRSSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370764055 476973485 /nfs/dbraw/zinc/97/34/85/476973485.db2.gz UOEXFUPXRKGBGJ-NQIIRXRSSA-N 1 3 343.515 2.875 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370764274 476973652 /nfs/dbraw/zinc/97/36/52/476973652.db2.gz WVFZUDQJTDCFKE-QKNQBKEWSA-N 1 3 341.499 2.629 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000447304694 476975140 /nfs/dbraw/zinc/97/51/40/476975140.db2.gz MLCWPHDPJNYSSL-IAGOWNOFSA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CCN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000447304694 476975146 /nfs/dbraw/zinc/97/51/46/476975146.db2.gz MLCWPHDPJNYSSL-IAGOWNOFSA-N 1 3 344.503 2.961 20 0 EFADHO Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)nc1 ZINC000447304694 476975152 /nfs/dbraw/zinc/97/51/52/476975152.db2.gz MLCWPHDPJNYSSL-IAGOWNOFSA-N 1 3 344.503 2.961 20 0 EFADHO c1ccc(CN2CCC(NCC[NH2+]C3CCCCCC3)CC2)nc1 ZINC000423279254 476981728 /nfs/dbraw/zinc/98/17/28/476981728.db2.gz QYBHWKLGVKWRDE-UHFFFAOYSA-N 1 3 330.520 2.948 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC2(C[NH3+])CC2)c2cccs2)CC1 ZINC000423306573 476988993 /nfs/dbraw/zinc/98/89/93/476988993.db2.gz LVFZIJFPNVDUKW-OAHLLOKOSA-N 1 3 335.517 2.766 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000447440469 476994162 /nfs/dbraw/zinc/99/41/62/476994162.db2.gz MIVMQNFWAGXWIG-NSHGMRRFSA-N 1 3 325.456 2.863 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447441643 476994599 /nfs/dbraw/zinc/99/45/99/476994599.db2.gz QKCGZPBBBYRKOP-RBUKOAKNSA-N 1 3 325.456 2.830 20 0 EFADHO Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@]2(C)CCCNC2)cc1 ZINC000423325883 476995670 /nfs/dbraw/zinc/99/56/70/476995670.db2.gz CDCJIVRRIAZJAN-RBUKOAKNSA-N 1 3 327.476 2.697 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H](C)CCN2)CC1 ZINC000423335990 476997614 /nfs/dbraw/zinc/99/76/14/476997614.db2.gz QGRLSYYMRINKGD-PXNSSMCTSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423340446 476999512 /nfs/dbraw/zinc/99/95/12/476999512.db2.gz XFBXBDVLJXBLAN-YRNRMSPPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C2CCC2)C1 ZINC000423340446 476999519 /nfs/dbraw/zinc/99/95/19/476999519.db2.gz XFBXBDVLJXBLAN-YRNRMSPPSA-N 1 3 343.515 2.908 20 0 EFADHO Cc1ccc([C@H](NCCCC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423338283 476999754 /nfs/dbraw/zinc/99/97/54/476999754.db2.gz WAAOFPBLNQAQPW-IBGZPJMESA-N 1 3 346.496 2.816 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423342078 477000911 /nfs/dbraw/zinc/00/09/11/477000911.db2.gz UYGYSNPWNFHHSD-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423342078 477000917 /nfs/dbraw/zinc/00/09/17/477000917.db2.gz UYGYSNPWNFHHSD-HNAYVOBHSA-N 1 3 329.488 2.662 20 0 EFADHO CN(CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423354903 477002384 /nfs/dbraw/zinc/00/23/84/477002384.db2.gz OHRUCRPDFLPWMI-IBGZPJMESA-N 1 3 339.483 2.961 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCc1nc(-c3ccccc3)no1)C2 ZINC000375785962 477003998 /nfs/dbraw/zinc/00/39/98/477003998.db2.gz CPZIOODRMOLRGH-SJPCQFCGSA-N 1 3 326.444 2.836 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCc1nc(-c3ccccc3)no1)C2 ZINC000375785962 477004002 /nfs/dbraw/zinc/00/40/02/477004002.db2.gz CPZIOODRMOLRGH-SJPCQFCGSA-N 1 3 326.444 2.836 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H](C)[NH3+] ZINC000423361853 477004754 /nfs/dbraw/zinc/00/47/54/477004754.db2.gz SFVNNRUZXDXTGQ-ZOBUZTSGSA-N 1 3 337.533 2.696 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H](C)[NH3+] ZINC000423361851 477004863 /nfs/dbraw/zinc/00/48/63/477004863.db2.gz SFVNNRUZXDXTGQ-UXLLHSPISA-N 1 3 337.533 2.696 20 0 EFADHO CN(C)Cc1ccccc1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457403653 477005772 /nfs/dbraw/zinc/00/57/72/477005772.db2.gz PBAMRBHYIDWUAR-UHFFFAOYSA-N 1 3 329.488 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423365269 477006663 /nfs/dbraw/zinc/00/66/63/477006663.db2.gz WJTFVTYEZNOXIW-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423365269 477006668 /nfs/dbraw/zinc/00/66/68/477006668.db2.gz WJTFVTYEZNOXIW-AWEZNQCLSA-N 1 3 339.439 2.805 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)C3CCC3)c2)CC1 ZINC000423367041 477006923 /nfs/dbraw/zinc/00/69/23/477006923.db2.gz YHFMVSDROWISAK-IBGZPJMESA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000423373991 477008186 /nfs/dbraw/zinc/00/81/86/477008186.db2.gz CBCHFBHUGZGGHZ-CVEARBPZSA-N 1 3 329.410 2.809 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CCC2 ZINC000423372832 477008517 /nfs/dbraw/zinc/00/85/17/477008517.db2.gz BJYBZTWVCXSAFO-IRXDYDNUSA-N 1 3 341.421 2.798 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000423377680 477009683 /nfs/dbraw/zinc/00/96/83/477009683.db2.gz WCPPLWDCIZRQNA-AGLNLLDASA-N 1 3 335.442 2.625 20 0 EFADHO FC(F)(F)[C@H](CN[C@@H]1CCSc2ccccc21)N1CC[NH2+]CC1 ZINC000423380095 477010762 /nfs/dbraw/zinc/01/07/62/477010762.db2.gz GWYPFKKBBJPWND-HIFRSBDPSA-N 1 3 345.434 2.649 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383928 477011993 /nfs/dbraw/zinc/01/19/93/477011993.db2.gz JQLWDJLCMABLTO-VNQPRFMTSA-N 1 3 341.421 2.969 20 0 EFADHO Cc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000423388487 477013926 /nfs/dbraw/zinc/01/39/26/477013926.db2.gz MUGTZPKTBIGCDT-GDBMZVCRSA-N 1 3 329.410 2.790 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423394721 477015237 /nfs/dbraw/zinc/01/52/37/477015237.db2.gz ZZIMHGRPUXNKRX-WMZOPIPTSA-N 1 3 329.488 2.846 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423394721 477015241 /nfs/dbraw/zinc/01/52/41/477015241.db2.gz ZZIMHGRPUXNKRX-WMZOPIPTSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(OCc2nccn2C)cc1 ZINC000423395142 477016048 /nfs/dbraw/zinc/01/60/48/477016048.db2.gz RSPQGAFDULJXEI-XIRDDKMYSA-N 1 3 328.460 2.920 20 0 EFADHO Cc1c([C@H](C)NCCOCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000447593925 477019563 /nfs/dbraw/zinc/01/95/63/477019563.db2.gz VWPOAZYIYXXOOV-AWEZNQCLSA-N 1 3 334.439 2.549 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1NCCCC1(C)C ZINC000423403160 477019828 /nfs/dbraw/zinc/01/98/28/477019828.db2.gz YZHFZSJSGAZQEE-NEWSRXKRSA-N 1 3 330.520 2.660 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423403160 477019833 /nfs/dbraw/zinc/01/98/33/477019833.db2.gz YZHFZSJSGAZQEE-NEWSRXKRSA-N 1 3 330.520 2.660 20 0 EFADHO Fc1ccc2c(c1)CCC[C@@H]2NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423401927 477019921 /nfs/dbraw/zinc/01/99/21/477019921.db2.gz XUTIMOSFKNEDRA-JKSUJKDBSA-N 1 3 345.384 2.629 20 0 EFADHO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000447594589 477020607 /nfs/dbraw/zinc/02/06/07/477020607.db2.gz ZYCDQRKKEVWPPQ-NZSAHSFTSA-N 1 3 345.531 2.690 20 0 EFADHO COCC1(CN[C@H](C)c2cc(OC)c(OC)cc2F)CC[NH2+]CC1 ZINC000423409463 477023377 /nfs/dbraw/zinc/02/33/77/477023377.db2.gz QDKBYIAAKZZYCL-CYBMUJFWSA-N 1 3 340.439 2.510 20 0 EFADHO COC[C@]1(C[NH2+][C@H](C)[C@@H](C)c2ccc(OC)c(OC)c2)CCCN1 ZINC000423409493 477023571 /nfs/dbraw/zinc/02/35/71/477023571.db2.gz BSVPDIAVDKJXIY-SPYBWZPUSA-N 1 3 336.476 2.554 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)ccc1OCCN1CCCC1 ZINC000423415408 477027117 /nfs/dbraw/zinc/02/71/17/477027117.db2.gz OYHAAOXAZHGOLE-WMZOPIPTSA-N 1 3 345.487 2.796 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000423427923 477029549 /nfs/dbraw/zinc/02/95/49/477029549.db2.gz QTZVZZWRNSYAIC-ULQDDVLXSA-N 1 3 338.517 2.512 20 0 EFADHO C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 ZINC000423481437 477042800 /nfs/dbraw/zinc/04/28/00/477042800.db2.gz WOUSBYVKASMCTK-URLQWDBASA-N 1 3 328.435 2.530 20 0 EFADHO C[C@@H](Cc1cnccn1)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423481437 477042806 /nfs/dbraw/zinc/04/28/06/477042806.db2.gz WOUSBYVKASMCTK-URLQWDBASA-N 1 3 328.435 2.530 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CN1C1CC1 ZINC000423484192 477044418 /nfs/dbraw/zinc/04/44/18/477044418.db2.gz ZYPLBCIZFIREER-PFSLXQJOSA-N 1 3 331.479 2.734 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172390 477053885 /nfs/dbraw/zinc/05/38/85/477053885.db2.gz WFLGTLYILKEUQJ-UYAOXDASSA-N 1 3 343.515 2.870 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000416172390 477053890 /nfs/dbraw/zinc/05/38/90/477053890.db2.gz WFLGTLYILKEUQJ-UYAOXDASSA-N 1 3 343.515 2.870 20 0 EFADHO C[C@H](C[NH2+]CCCN1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000447811439 477064320 /nfs/dbraw/zinc/06/43/20/477064320.db2.gz FNBBXMACNULDFG-LJQANCHMSA-N 1 3 338.499 2.987 20 0 EFADHO NC1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C2CC3CC(C2)CC1C3 ZINC000423531564 477065595 /nfs/dbraw/zinc/06/55/95/477065595.db2.gz SUMCUYFDPRFFQV-HXFJTEJXSA-N 1 3 332.410 2.840 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CC23CCOCC3)CC1 ZINC000431649196 477067929 /nfs/dbraw/zinc/06/79/29/477067929.db2.gz OJQLQOBASKLANL-LJQANCHMSA-N 1 3 343.515 2.735 20 0 EFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cncc(F)c1 ZINC000423548224 477070481 /nfs/dbraw/zinc/07/04/81/477070481.db2.gz DVXBBKPNRGXNSR-MRXNPFEDSA-N 1 3 342.462 2.865 20 0 EFADHO C[C@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423573587 477073200 /nfs/dbraw/zinc/07/32/00/477073200.db2.gz OWPFAZAKSGNSNK-INIZCTEOSA-N 1 3 342.462 2.865 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416235284 477084166 /nfs/dbraw/zinc/08/41/66/477084166.db2.gz SPUMOQAYIKNQNE-YLJYHZDGSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C[NH+]1CCCCC1 ZINC000447954108 477100679 /nfs/dbraw/zinc/10/06/79/477100679.db2.gz KQEODMXELHVGOF-SJORKVTESA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447957202 477102402 /nfs/dbraw/zinc/10/24/02/477102402.db2.gz YRLVGTUKHWXQRS-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447957202 477102410 /nfs/dbraw/zinc/10/24/10/477102410.db2.gz YRLVGTUKHWXQRS-IXDOHACOSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447957203 477103117 /nfs/dbraw/zinc/10/31/17/477103117.db2.gz YRLVGTUKHWXQRS-ZACQAIPSSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447957203 477103120 /nfs/dbraw/zinc/10/31/20/477103120.db2.gz YRLVGTUKHWXQRS-ZACQAIPSSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[NH+]1CCC(C)CC1 ZINC000447962499 477104301 /nfs/dbraw/zinc/10/43/01/477104301.db2.gz HRIHCIFLDGZDOH-SJORKVTESA-N 1 3 338.540 2.526 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000447962546 477104936 /nfs/dbraw/zinc/10/49/36/477104936.db2.gz APMFLTNOHKESDT-INIZCTEOSA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000431854896 477109971 /nfs/dbraw/zinc/10/99/71/477109971.db2.gz QGXQJVSVGDBKKE-GUDVDZBRSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000431854896 477109976 /nfs/dbraw/zinc/10/99/76/477109976.db2.gz QGXQJVSVGDBKKE-GUDVDZBRSA-N 1 3 329.488 2.622 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000448001141 477115084 /nfs/dbraw/zinc/11/50/84/477115084.db2.gz PNZQYQFDMBPIRC-MRXNPFEDSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H](CC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423712768 477120120 /nfs/dbraw/zinc/12/01/20/477120120.db2.gz OURGYHBXDGXCKW-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448043784 477120916 /nfs/dbraw/zinc/12/09/16/477120916.db2.gz PEKLIBFDCVTHTM-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448042961 477121059 /nfs/dbraw/zinc/12/10/59/477121059.db2.gz LRGGFEIVAMAAQD-IRXDYDNUSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448042961 477121062 /nfs/dbraw/zinc/12/10/62/477121062.db2.gz LRGGFEIVAMAAQD-IRXDYDNUSA-N 1 3 338.540 2.526 20 0 EFADHO CN(C)C(=O)C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411132993 477124683 /nfs/dbraw/zinc/12/46/83/477124683.db2.gz JHYSBHWOGKESME-UHFFFAOYSA-N 1 3 343.515 2.973 20 0 EFADHO O=C(CC1CC[NH2+]CC1)N1CCCN(CCCc2ccccc2)CC1 ZINC000423754607 477134946 /nfs/dbraw/zinc/13/49/46/477134946.db2.gz ZFQCCGXVBMXWKT-UHFFFAOYSA-N 1 3 343.515 2.543 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)c1ccsc1 ZINC000457672433 477135780 /nfs/dbraw/zinc/13/57/80/477135780.db2.gz CCTBLMZERVBITI-HNNXBMFYSA-N 1 3 340.537 2.770 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423763122 477136450 /nfs/dbraw/zinc/13/64/50/477136450.db2.gz UGHLWIUDZAFLCZ-SFHVURJKSA-N 1 3 349.906 2.907 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423789022 477144010 /nfs/dbraw/zinc/14/40/10/477144010.db2.gz YEDNIKKWDSWMJI-HGKSCXNLSA-N 1 3 329.488 2.531 20 0 EFADHO NC[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000423790068 477146758 /nfs/dbraw/zinc/14/67/58/477146758.db2.gz GEHCZRTWJBNKBB-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H]1C ZINC000448255734 477150492 /nfs/dbraw/zinc/15/04/92/477150492.db2.gz LGTFHKPKXRXWPQ-YESZJQIVSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@@H]1C ZINC000448255734 477150499 /nfs/dbraw/zinc/15/04/99/477150499.db2.gz LGTFHKPKXRXWPQ-YESZJQIVSA-N 1 3 338.540 2.621 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258815 477153097 /nfs/dbraw/zinc/15/30/97/477153097.db2.gz YTQIOMNAVCRLIR-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448258815 477153102 /nfs/dbraw/zinc/15/31/02/477153102.db2.gz YTQIOMNAVCRLIR-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448259361 477153177 /nfs/dbraw/zinc/15/31/77/477153177.db2.gz DGYNVSCFKDMECD-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448259362 477153327 /nfs/dbraw/zinc/15/33/27/477153327.db2.gz DGYNVSCFKDMECD-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453056017 477154295 /nfs/dbraw/zinc/15/42/95/477154295.db2.gz KKWZCYHCELDERA-XUVXKRRUSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)C(=O)NCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453056017 477154304 /nfs/dbraw/zinc/15/43/04/477154304.db2.gz KKWZCYHCELDERA-XUVXKRRUSA-N 1 3 343.515 2.791 20 0 EFADHO CCN1CCN(CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453064704 477156918 /nfs/dbraw/zinc/15/69/18/477156918.db2.gz UGHJEVOVIYISRM-UHFFFAOYSA-N 1 3 329.532 2.941 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074588 477159255 /nfs/dbraw/zinc/15/92/55/477159255.db2.gz URZHZYIIOKDHIP-AQNXPRMDSA-N 1 3 343.515 2.936 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074588 477159263 /nfs/dbraw/zinc/15/92/63/477159263.db2.gz URZHZYIIOKDHIP-AQNXPRMDSA-N 1 3 343.515 2.936 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000453103519 477170453 /nfs/dbraw/zinc/17/04/53/477170453.db2.gz WQWMTJSWQCVDNE-QBPKDAKJSA-N 1 3 342.405 2.942 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453141701 477177561 /nfs/dbraw/zinc/17/75/61/477177561.db2.gz HMRURYSNKZNIDD-BURNTYAHSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453141701 477177566 /nfs/dbraw/zinc/17/75/66/477177566.db2.gz HMRURYSNKZNIDD-BURNTYAHSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000457750546 477178989 /nfs/dbraw/zinc/17/89/89/477178989.db2.gz RNMXEKGWCFZGIS-GOSISDBHSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]3(C)CCCC[NH2+]3)c2)CC1 ZINC000423842863 477180061 /nfs/dbraw/zinc/18/00/61/477180061.db2.gz KJPIIRBRZWAYME-FQEVSTJZSA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523463 477184509 /nfs/dbraw/zinc/18/45/09/477184509.db2.gz ZJGHGQQCYKVPOP-YZGWKJHDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523463 477184515 /nfs/dbraw/zinc/18/45/15/477184515.db2.gz ZJGHGQQCYKVPOP-YZGWKJHDSA-N 1 3 347.547 2.972 20 0 EFADHO N[C@H](C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000423851425 477185957 /nfs/dbraw/zinc/18/59/57/477185957.db2.gz QNOPDGMRMKMCGR-IBGZPJMESA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C1CCC1 ZINC000423851425 477185962 /nfs/dbraw/zinc/18/59/62/477185962.db2.gz QNOPDGMRMKMCGR-IBGZPJMESA-N 1 3 341.499 2.629 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000423856241 477187292 /nfs/dbraw/zinc/18/72/92/477187292.db2.gz ZILUYPODQSIUPN-DNVCBOLYSA-N 1 3 343.446 2.505 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCN2CCCO[C@H](C)C2)C1 ZINC000366792811 477189697 /nfs/dbraw/zinc/18/96/97/477189697.db2.gz NMJYRNMSFSHTPF-SFHLNBCPSA-N 1 3 345.531 2.912 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)OC ZINC000453198210 477189778 /nfs/dbraw/zinc/18/97/78/477189778.db2.gz PBQFFQZMLFYLNO-VNTMZGSJSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)OC ZINC000453198210 477189782 /nfs/dbraw/zinc/18/97/82/477189782.db2.gz PBQFFQZMLFYLNO-VNTMZGSJSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000453222311 477193920 /nfs/dbraw/zinc/19/39/20/477193920.db2.gz YOFLXRLLNBWFFW-INIZCTEOSA-N 1 3 340.471 2.670 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000411357805 477204364 /nfs/dbraw/zinc/20/43/64/477204364.db2.gz BCRQELHBPMWWOP-FQEVSTJZSA-N 1 3 347.478 2.857 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@]2(C)CCCc3ccccc32)CC1 ZINC000411369698 477207848 /nfs/dbraw/zinc/20/78/48/477207848.db2.gz QSQXRQJPACEVDD-OAQYLSRUSA-N 1 3 343.515 2.817 20 0 EFADHO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453334498 477209370 /nfs/dbraw/zinc/20/93/70/477209370.db2.gz CLLOCRRWZLIUFX-HNSVSWJLSA-N 1 3 332.444 2.514 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000453334499 477209628 /nfs/dbraw/zinc/20/96/28/477209628.db2.gz CLLOCRRWZLIUFX-WZYMTQMTSA-N 1 3 332.444 2.514 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423904442 477210325 /nfs/dbraw/zinc/21/03/25/477210325.db2.gz OESZSQCKJKWTSD-HHXXYDBFSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@H](CCNC(=O)[C@H](N)C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000423904442 477210332 /nfs/dbraw/zinc/21/03/32/477210332.db2.gz OESZSQCKJKWTSD-HHXXYDBFSA-N 1 3 329.488 2.531 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423907617 477211551 /nfs/dbraw/zinc/21/15/51/477211551.db2.gz RMGYBELXJZSBHD-HSALFYBXSA-N 1 3 341.499 2.642 20 0 EFADHO O=C([C@@H]1CCCCN1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907617 477211556 /nfs/dbraw/zinc/21/15/56/477211556.db2.gz RMGYBELXJZSBHD-HSALFYBXSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000453374477 477216489 /nfs/dbraw/zinc/21/64/89/477216489.db2.gz ZJMQFOXONWPXQM-QYRPDUKASA-N 1 3 338.499 2.851 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CCN2CCCC2(C)C)[C@H](C)C1 ZINC000453398226 477220927 /nfs/dbraw/zinc/22/09/27/477220927.db2.gz MPIJKQIUDXXQAR-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO C[C@H](NCC[N@@H+]1CCCC1(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453393143 477221577 /nfs/dbraw/zinc/22/15/77/477221577.db2.gz IEDCHEHATNAPEX-ICSRJNTNSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@H](NCC[N@H+]1CCCC1(C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000453393143 477221582 /nfs/dbraw/zinc/22/15/82/477221582.db2.gz IEDCHEHATNAPEX-ICSRJNTNSA-N 1 3 345.531 2.912 20 0 EFADHO OCCOC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411406329 477222717 /nfs/dbraw/zinc/22/27/17/477222717.db2.gz IZPVALJXMGQOAM-UHFFFAOYSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000411415446 477226574 /nfs/dbraw/zinc/22/65/74/477226574.db2.gz NKUAPGLDFRPILX-XWPNQZOQSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000411415446 477226578 /nfs/dbraw/zinc/22/65/78/477226578.db2.gz NKUAPGLDFRPILX-XWPNQZOQSA-N 1 3 331.479 2.639 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)NC ZINC000453415800 477227442 /nfs/dbraw/zinc/22/74/42/477227442.db2.gz UCFFAERYDWHYFN-YSTOQKLRSA-N 1 3 343.515 2.791 20 0 EFADHO C[C@H]1CN(CCSc2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371303984 477229157 /nfs/dbraw/zinc/22/91/57/477229157.db2.gz QYPXDAXYORZFBK-PKOBYXMFSA-N 1 3 333.545 2.737 20 0 EFADHO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366873450 477233522 /nfs/dbraw/zinc/23/35/22/477233522.db2.gz ZJNAFRQSJPUSJA-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C(=O)NCCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411445523 477237662 /nfs/dbraw/zinc/23/76/62/477237662.db2.gz UMHSTTOCSBTMSK-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)C(C)(C)c2ccccc2)CC1 ZINC000411452123 477241181 /nfs/dbraw/zinc/24/11/81/477241181.db2.gz IFSBAMJEJODCKE-INIZCTEOSA-N 1 3 331.504 2.543 20 0 EFADHO C[C@H](C[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333045 477249525 /nfs/dbraw/zinc/24/95/25/477249525.db2.gz CAEDNFPERKUGSK-JJXSEGSLSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333045 477249530 /nfs/dbraw/zinc/24/95/30/477249530.db2.gz CAEDNFPERKUGSK-JJXSEGSLSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000371333045 477249540 /nfs/dbraw/zinc/24/95/40/477249540.db2.gz CAEDNFPERKUGSK-JJXSEGSLSA-N 1 3 325.497 2.895 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000411488555 477253483 /nfs/dbraw/zinc/25/34/83/477253483.db2.gz LEZLBFAGXDCMCM-FQEVSTJZSA-N 1 3 329.488 2.716 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000376336343 477289838 /nfs/dbraw/zinc/28/98/38/477289838.db2.gz LVASDQJCWQQDEW-PKOBYXMFSA-N 1 3 329.488 2.720 20 0 EFADHO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411624381 477296894 /nfs/dbraw/zinc/29/68/94/477296894.db2.gz XJJPSCHJNPBKNX-AQNXPRMDSA-N 1 3 341.499 2.758 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000458164576 477297204 /nfs/dbraw/zinc/29/72/04/477297204.db2.gz KEGAMVCNCTXHFT-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000458164576 477297211 /nfs/dbraw/zinc/29/72/11/477297211.db2.gz KEGAMVCNCTXHFT-IBGZPJMESA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]1CC[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@H]1C ZINC000448837053 477309649 /nfs/dbraw/zinc/30/96/49/477309649.db2.gz ROKPSSHAPVDCLT-BRWVUGGUSA-N 1 3 335.536 2.734 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416791213 477311974 /nfs/dbraw/zinc/31/19/74/477311974.db2.gz WBVOTHHJKKRBAC-QGZVFWFLSA-N 1 3 332.492 2.640 20 0 EFADHO Cc1cc(CN2CCSCC2)ccc1NC(=O)[C@H](C[NH3+])C(C)C ZINC000433172253 477314631 /nfs/dbraw/zinc/31/46/31/477314631.db2.gz HAXMMNXLJAHQFF-MRXNPFEDSA-N 1 3 335.517 2.713 20 0 EFADHO CCCN1Cc2cccc(NC(=O)CCCN3CCC([NH3+])CC3)c2C1 ZINC000433173073 477314822 /nfs/dbraw/zinc/31/48/22/477314822.db2.gz IYDFHOHPKCJWJH-UHFFFAOYSA-N 1 3 344.503 2.554 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000433174028 477315143 /nfs/dbraw/zinc/31/51/43/477315143.db2.gz MBRYBQDAXCXZGT-OALUTQOASA-N 1 3 331.504 2.807 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367057842 477320866 /nfs/dbraw/zinc/32/08/66/477320866.db2.gz NOTRBOAXNNCVQQ-QUCCMNQESA-N 1 3 330.520 2.725 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000433554710 477324179 /nfs/dbraw/zinc/32/41/79/477324179.db2.gz QJYMMBMKQZVRIN-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCCCN1C1CC1)[N@H+]1CCCC[C@H]1C ZINC000433554710 477324185 /nfs/dbraw/zinc/32/41/85/477324185.db2.gz QJYMMBMKQZVRIN-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000416833115 477328590 /nfs/dbraw/zinc/32/85/90/477328590.db2.gz CFYDLGBDKBJJOV-KBAYOESNSA-N 1 3 332.492 2.509 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000416836510 477329806 /nfs/dbraw/zinc/32/98/06/477329806.db2.gz GKTABNUARXHAPP-BHIYHBOVSA-N 1 3 346.519 2.838 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OCCN(C)C)c(F)c1 ZINC000458275753 477330044 /nfs/dbraw/zinc/33/00/44/477330044.db2.gz CWLBOHIVQXMQCY-ZDUSSCGKSA-N 1 3 339.455 2.871 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1 ZINC000416841711 477332424 /nfs/dbraw/zinc/33/24/24/477332424.db2.gz MMXLJUCDOGEHKT-QZTJIDSGSA-N 1 3 332.492 2.592 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217446 477333972 /nfs/dbraw/zinc/33/39/72/477333972.db2.gz LMRHLHXSJSLSND-VNTMZGSJSA-N 1 3 341.499 2.627 20 0 EFADHO CCCN(C(=O)NCCCN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000416872611 477346917 /nfs/dbraw/zinc/34/69/17/477346917.db2.gz MDHLLODVXQSCHY-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424295176 477360375 /nfs/dbraw/zinc/36/03/75/477360375.db2.gz QVFUHFFODWYESU-FGTMMUONSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424296772 477360779 /nfs/dbraw/zinc/36/07/79/477360779.db2.gz SHUQDZGDMWTUIW-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)N1CCC[C@H]3CCCC[C@@H]31)CC[NH2+]CC2 ZINC000424295179 477360860 /nfs/dbraw/zinc/36/08/60/477360860.db2.gz QVFUHFFODWYESU-KURKYZTESA-N 1 3 333.520 2.632 20 0 EFADHO C[NH+]1CCC2(CCCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)CC1 ZINC000367199737 477390121 /nfs/dbraw/zinc/39/01/21/477390121.db2.gz LQUBXZHCOMBNHG-GOSISDBHSA-N 1 3 343.471 2.820 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435907934 477391717 /nfs/dbraw/zinc/39/17/17/477391717.db2.gz MMCRKTLBRMJZDB-TZIWHRDSSA-N 1 3 341.499 2.678 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000424425216 477402401 /nfs/dbraw/zinc/40/24/01/477402401.db2.gz JJESLSHDINONCX-INIZCTEOSA-N 1 3 330.476 2.793 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000424430382 477403849 /nfs/dbraw/zinc/40/38/49/477403849.db2.gz BRGWKULXJSIDMO-MRXNPFEDSA-N 1 3 332.492 2.943 20 0 EFADHO Cc1cc(CN)cc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000424430382 477403853 /nfs/dbraw/zinc/40/38/53/477403853.db2.gz BRGWKULXJSIDMO-MRXNPFEDSA-N 1 3 332.492 2.943 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000424448452 477412843 /nfs/dbraw/zinc/41/28/43/477412843.db2.gz XXZOBKSZYJAADQ-IBGZPJMESA-N 1 3 340.471 2.748 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376577885 477413377 /nfs/dbraw/zinc/41/33/77/477413377.db2.gz GBVQSJOAPSPGRP-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000376577885 477413382 /nfs/dbraw/zinc/41/33/82/477413382.db2.gz GBVQSJOAPSPGRP-MSOLQXFVSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccsc1 ZINC000417003306 477417012 /nfs/dbraw/zinc/41/70/12/477417012.db2.gz HAXOQGVMFNSIOP-JKSUJKDBSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@H](CNC(=O)N(CCC[NH3+])CC1CCCC1)N1CCC[C@@H](C)C1 ZINC000417002592 477417348 /nfs/dbraw/zinc/41/73/48/477417348.db2.gz AOWJRTIQUSVNKB-IAGOWNOFSA-N 1 3 338.540 2.657 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccsc1 ZINC000417011295 477420614 /nfs/dbraw/zinc/42/06/14/477420614.db2.gz RLDJOOFJDZBZJL-FVQBIDKESA-N 1 3 338.521 2.571 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccsc1 ZINC000417010955 477421325 /nfs/dbraw/zinc/42/13/25/477421325.db2.gz QULODGCJDVEEQH-NUEKZKHPSA-N 1 3 338.521 2.558 20 0 EFADHO CCCN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000417014403 477423939 /nfs/dbraw/zinc/42/39/39/477423939.db2.gz DFIPYYGTAWIIPW-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2cccc(S(C)(=O)=O)c2)C1 ZINC000449081786 477427525 /nfs/dbraw/zinc/42/75/25/477427525.db2.gz HWAPHRMZCMWGCO-MRXNPFEDSA-N 1 3 338.517 2.692 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2cccc(S(C)(=O)=O)c2)C1 ZINC000449081786 477427533 /nfs/dbraw/zinc/42/75/33/477427533.db2.gz HWAPHRMZCMWGCO-MRXNPFEDSA-N 1 3 338.517 2.692 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417028043 477430944 /nfs/dbraw/zinc/43/09/44/477430944.db2.gz BMXHLIPOUNYLEJ-MRXNPFEDSA-N 1 3 344.503 2.601 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc3c(c2)CNC3)C1 ZINC000417028043 477430951 /nfs/dbraw/zinc/43/09/51/477430951.db2.gz BMXHLIPOUNYLEJ-MRXNPFEDSA-N 1 3 344.503 2.601 20 0 EFADHO CCn1nnc(C)c1CNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000449096058 477436245 /nfs/dbraw/zinc/43/62/45/477436245.db2.gz DNIRPYYMMXKSAR-UHFFFAOYSA-N 1 3 327.476 2.608 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000367295184 477437558 /nfs/dbraw/zinc/43/75/58/477437558.db2.gz OQSFPDLUCBBGRI-UHFFFAOYSA-N 1 3 333.476 2.603 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000417043654 477438831 /nfs/dbraw/zinc/43/88/31/477438831.db2.gz XJEFBEAGIDWJEP-MOPGFXCFSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417051463 477442097 /nfs/dbraw/zinc/44/20/97/477442097.db2.gz ZVVSOYXJWCXFHH-INIZCTEOSA-N 1 3 344.503 2.744 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc2c(c1)CNC2 ZINC000417051463 477442105 /nfs/dbraw/zinc/44/21/05/477442105.db2.gz ZVVSOYXJWCXFHH-INIZCTEOSA-N 1 3 344.503 2.744 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000454972718 477450038 /nfs/dbraw/zinc/45/00/38/477450038.db2.gz BBKGLVBILHBHGJ-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000454972718 477450042 /nfs/dbraw/zinc/45/00/42/477450042.db2.gz BBKGLVBILHBHGJ-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)N2CCCC2)cc1 ZINC000436285287 477455989 /nfs/dbraw/zinc/45/59/89/477455989.db2.gz DIGVGUVZUXIMHJ-SVFBPWRDSA-N 1 3 341.499 2.638 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151742 477460678 /nfs/dbraw/zinc/46/06/78/477460678.db2.gz YMEHOFCMQNNJSP-ZFWWWQNUSA-N 1 3 342.405 2.918 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151742 477460685 /nfs/dbraw/zinc/46/06/85/477460685.db2.gz YMEHOFCMQNNJSP-ZFWWWQNUSA-N 1 3 342.405 2.918 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449165598 477466959 /nfs/dbraw/zinc/46/69/59/477466959.db2.gz AITBDOGLHGIONY-XYJFISCASA-N 1 3 329.488 2.544 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449165598 477466967 /nfs/dbraw/zinc/46/69/67/477466967.db2.gz AITBDOGLHGIONY-XYJFISCASA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000418344958 477469631 /nfs/dbraw/zinc/46/96/31/477469631.db2.gz GSCDDTHZUPEVDD-ZSYWTGECSA-N 1 3 344.503 2.579 20 0 EFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000418352107 477470437 /nfs/dbraw/zinc/47/04/37/477470437.db2.gz MDVGXBLUXUGMPZ-YJBOKZPZSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000418364865 477471937 /nfs/dbraw/zinc/47/19/37/477471937.db2.gz WXHVYYNZLFMYJC-QAPCUYQASA-N 1 3 332.492 2.580 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418664540 477481889 /nfs/dbraw/zinc/48/18/89/477481889.db2.gz CZDURBGXSXHGPE-VQIMIIECSA-N 1 3 346.519 2.838 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418679656 477482851 /nfs/dbraw/zinc/48/28/51/477482851.db2.gz WXIVRWQXWHJZKX-BBRMVZONSA-N 1 3 340.899 2.759 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000436469616 477485330 /nfs/dbraw/zinc/48/53/30/477485330.db2.gz CUDXZXNHGSZWND-UZLBHIALSA-N 1 3 325.456 2.632 20 0 EFADHO C[C@H]([NH2+]C1CCN(c2ccncc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000436469613 477486439 /nfs/dbraw/zinc/48/64/39/477486439.db2.gz CUDXZXNHGSZWND-JXFKEZNVSA-N 1 3 325.456 2.632 20 0 EFADHO CCn1nnc(C)c1CNCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449207584 477486517 /nfs/dbraw/zinc/48/65/17/477486517.db2.gz CDMMMSPDXSCIOC-LPHOPBHVSA-N 1 3 341.503 2.997 20 0 EFADHO CCn1nnc(C)c1CNCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449207584 477486521 /nfs/dbraw/zinc/48/65/21/477486521.db2.gz CDMMMSPDXSCIOC-LPHOPBHVSA-N 1 3 341.503 2.997 20 0 EFADHO COc1nccc(CNCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000449216889 477491294 /nfs/dbraw/zinc/49/12/94/477491294.db2.gz VUHSPZURSCRUPO-SJLPKXTDSA-N 1 3 340.471 2.876 20 0 EFADHO COc1nccc(CNCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000449216889 477491299 /nfs/dbraw/zinc/49/12/99/477491299.db2.gz VUHSPZURSCRUPO-SJLPKXTDSA-N 1 3 340.471 2.876 20 0 EFADHO COc1nccc(CNCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000449216887 477491847 /nfs/dbraw/zinc/49/18/47/477491847.db2.gz VUHSPZURSCRUPO-AEFFLSMTSA-N 1 3 340.471 2.876 20 0 EFADHO COc1nccc(CNCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000449216887 477491854 /nfs/dbraw/zinc/49/18/54/477491854.db2.gz VUHSPZURSCRUPO-AEFFLSMTSA-N 1 3 340.471 2.876 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458615935 477509748 /nfs/dbraw/zinc/50/97/48/477509748.db2.gz JBBHWVWBVZKASA-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458615935 477509755 /nfs/dbraw/zinc/50/97/55/477509755.db2.gz JBBHWVWBVZKASA-MJGOQNOKSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C(=O)NCC(C)(C)N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376826866 477520483 /nfs/dbraw/zinc/52/04/83/477520483.db2.gz TWVUXNSHXOGOJU-SJPCQFCGSA-N 1 3 336.524 2.518 20 0 EFADHO CN(C(=O)NCC(C)(C)N1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376826866 477520485 /nfs/dbraw/zinc/52/04/85/477520485.db2.gz TWVUXNSHXOGOJU-SJPCQFCGSA-N 1 3 336.524 2.518 20 0 EFADHO COc1ccc(-n2cc(CNCC3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000449286316 477524520 /nfs/dbraw/zinc/52/45/20/477524520.db2.gz GYPCTAJFUKFVAE-UHFFFAOYSA-N 1 3 340.471 2.845 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339739 477554213 /nfs/dbraw/zinc/55/42/13/477554213.db2.gz VABXCQNEPYUSSL-HOTGVXAUSA-N 1 3 340.533 2.904 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449339739 477554218 /nfs/dbraw/zinc/55/42/18/477554218.db2.gz VABXCQNEPYUSSL-HOTGVXAUSA-N 1 3 340.533 2.904 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000455232913 477555978 /nfs/dbraw/zinc/55/59/78/477555978.db2.gz SZMBQTZWUJKIAQ-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455232913 477555983 /nfs/dbraw/zinc/55/59/83/477555983.db2.gz SZMBQTZWUJKIAQ-UHFFFAOYSA-N 1 3 332.492 2.787 20 0 EFADHO COc1cc2nccc(N3C[C@@H](SC)[C@@H]([NH+](C)C)C3)c2cc1OC ZINC000413201212 477567519 /nfs/dbraw/zinc/56/75/19/477567519.db2.gz FSXOGMQWAVRLIF-MAUKXSAKSA-N 1 3 347.484 2.734 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449991932 477576993 /nfs/dbraw/zinc/57/69/93/477576993.db2.gz WKLLCPYSCMYAPQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449991932 477576999 /nfs/dbraw/zinc/57/69/99/477576999.db2.gz WKLLCPYSCMYAPQ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449991933 477577420 /nfs/dbraw/zinc/57/74/20/477577420.db2.gz WKLLCPYSCMYAPQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1 ZINC000449991933 477577426 /nfs/dbraw/zinc/57/74/26/477577426.db2.gz WKLLCPYSCMYAPQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCCN1C1CCCC1)CC2 ZINC000450381847 477591389 /nfs/dbraw/zinc/59/13/89/477591389.db2.gz VWCJBDJXIKNKGQ-SFHVURJKSA-N 1 3 333.520 2.870 20 0 EFADHO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCCN1C1CCCC1)CC2 ZINC000450381847 477591394 /nfs/dbraw/zinc/59/13/94/477591394.db2.gz VWCJBDJXIKNKGQ-SFHVURJKSA-N 1 3 333.520 2.870 20 0 EFADHO Cc1cccc(C(=O)N2CCCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420298321 477672062 /nfs/dbraw/zinc/67/20/62/477672062.db2.gz DXRSWKXAKFBJQX-GOSISDBHSA-N 1 3 329.488 2.533 20 0 EFADHO Clc1ccc(CN2CCN(CC[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000420299517 477673848 /nfs/dbraw/zinc/67/38/48/477673848.db2.gz IWMLPWNYKYJUKI-CQSZACIVSA-N 1 3 327.925 2.909 20 0 EFADHO [NH3+]CCOCCN1CCC(c2ccc(Br)cc2)CC1 ZINC000420371616 477728327 /nfs/dbraw/zinc/72/83/27/477728327.db2.gz KPIUCUDTQOBHQI-UHFFFAOYSA-N 1 3 327.266 2.604 20 0 EFADHO CCN(C)C(=O)CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420303286 477675041 /nfs/dbraw/zinc/67/50/41/477675041.db2.gz CQXZQXNDGWSTKH-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000420303286 477675047 /nfs/dbraw/zinc/67/50/47/477675047.db2.gz CQXZQXNDGWSTKH-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CCN(C)C(=O)CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420303286 477675053 /nfs/dbraw/zinc/67/50/53/477675053.db2.gz CQXZQXNDGWSTKH-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cnn(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420302663 477675652 /nfs/dbraw/zinc/67/56/52/477675652.db2.gz BUGGNPNXQMLCCK-QGZVFWFLSA-N 1 3 330.501 2.897 20 0 EFADHO Cc1noc(CCCN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000420306987 477680044 /nfs/dbraw/zinc/68/00/44/477680044.db2.gz IEUILPIRSUZSAZ-RTBURBONSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)n1 ZINC000420306987 477680048 /nfs/dbraw/zinc/68/00/48/477680048.db2.gz IEUILPIRSUZSAZ-RTBURBONSA-N 1 3 342.487 2.983 20 0 EFADHO Cc1noc(CCC[N@H+]2CCCC[C@@H]2[C@@H](CN)Cc2ccccc2)n1 ZINC000420306987 477680054 /nfs/dbraw/zinc/68/00/54/477680054.db2.gz IEUILPIRSUZSAZ-RTBURBONSA-N 1 3 342.487 2.983 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307651 477680082 /nfs/dbraw/zinc/68/00/82/477680082.db2.gz BWYYVJLNUNDFKM-WMZOPIPTSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307651 477680087 /nfs/dbraw/zinc/68/00/87/477680087.db2.gz BWYYVJLNUNDFKM-WMZOPIPTSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000420307651 477680099 /nfs/dbraw/zinc/68/00/99/477680099.db2.gz BWYYVJLNUNDFKM-WMZOPIPTSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309432 477681653 /nfs/dbraw/zinc/68/16/53/477681653.db2.gz TWHPPVSMSVUOHN-UYAOXDASSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309432 477681657 /nfs/dbraw/zinc/68/16/57/477681657.db2.gz TWHPPVSMSVUOHN-UYAOXDASSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000420309432 477681660 /nfs/dbraw/zinc/68/16/60/477681660.db2.gz TWHPPVSMSVUOHN-UYAOXDASSA-N 1 3 328.456 2.793 20 0 EFADHO COc1cc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)ccc1C ZINC000377186333 477682900 /nfs/dbraw/zinc/68/29/00/477682900.db2.gz ACDNAPHGEVOKHU-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCNC[C@H]2c2cccc(F)c2)cc1 ZINC000420315563 477685586 /nfs/dbraw/zinc/68/55/86/477685586.db2.gz RZAHNRQKIKCTKR-XLIONFOSSA-N 1 3 343.446 2.523 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN(c2ccccc2)C1 ZINC000377194639 477686674 /nfs/dbraw/zinc/68/66/74/477686674.db2.gz BKJFGHPFOCSYJW-MJGOQNOKSA-N 1 3 343.519 2.501 20 0 EFADHO CCCN(CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1OC ZINC000420318848 477688597 /nfs/dbraw/zinc/68/85/97/477688597.db2.gz PAHWBLGBVLRUBU-MRXNPFEDSA-N 1 3 333.476 2.735 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCCC1CCCCC1 ZINC000420325087 477694561 /nfs/dbraw/zinc/69/45/61/477694561.db2.gz HZHUDZHUTNDEHR-MOPGFXCFSA-N 1 3 335.536 2.785 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1ccccc1Br ZINC000420323876 477695034 /nfs/dbraw/zinc/69/50/34/477695034.db2.gz UNXUUWSPPNMFOX-OAHLLOKOSA-N 1 3 342.281 2.741 20 0 EFADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000420326508 477696143 /nfs/dbraw/zinc/69/61/43/477696143.db2.gz XNYBQZNKEXKJEU-QMMLZNLJSA-N 1 3 342.483 2.627 20 0 EFADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000420326508 477696148 /nfs/dbraw/zinc/69/61/48/477696148.db2.gz XNYBQZNKEXKJEU-QMMLZNLJSA-N 1 3 342.483 2.627 20 0 EFADHO CCc1ccccc1NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420327501 477696395 /nfs/dbraw/zinc/69/63/95/477696395.db2.gz LJVUSZSBVUGYCC-JQHSSLGASA-N 1 3 329.488 2.898 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326330 477696750 /nfs/dbraw/zinc/69/67/50/477696750.db2.gz XLVVNNDZWVWJHF-HKUYNNGSSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326330 477696755 /nfs/dbraw/zinc/69/67/55/477696755.db2.gz XLVVNNDZWVWJHF-HKUYNNGSSA-N 1 3 342.487 2.925 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000420326330 477696761 /nfs/dbraw/zinc/69/67/61/477696761.db2.gz XLVVNNDZWVWJHF-HKUYNNGSSA-N 1 3 342.487 2.925 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329764 477698471 /nfs/dbraw/zinc/69/84/71/477698471.db2.gz HIOQSMSIGWMSQN-CEXWTWQISA-N 1 3 329.488 2.528 20 0 EFADHO O=C(c1ccc(Cl)cc1)N1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420328357 477699457 /nfs/dbraw/zinc/69/94/57/477699457.db2.gz ZFEPIVLDIBGDRB-INIZCTEOSA-N 1 3 349.906 2.878 20 0 EFADHO CCC[C@H](NC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420332399 477702624 /nfs/dbraw/zinc/70/26/24/477702624.db2.gz JITSOTJJPKSAFE-FFGOWVMKSA-N 1 3 343.515 2.964 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420332554 477702715 /nfs/dbraw/zinc/70/27/15/477702715.db2.gz RYDJOSVFEUEKLH-FRQCXROJSA-N 1 3 345.462 2.643 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1F ZINC000420337389 477707415 /nfs/dbraw/zinc/70/74/15/477707415.db2.gz JYOXQNQWDWWTJQ-JYJNAYRXSA-N 1 3 333.451 2.783 20 0 EFADHO CCc1ccc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420338717 477707808 /nfs/dbraw/zinc/70/78/08/477707808.db2.gz NRXFGICBUYYEIC-CALCHBBNSA-N 1 3 326.444 2.730 20 0 EFADHO CCc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420339008 477708095 /nfs/dbraw/zinc/70/80/95/477708095.db2.gz LJYSYHQAJNJOIU-JQHSSLGASA-N 1 3 329.488 2.898 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345089 477713333 /nfs/dbraw/zinc/71/33/33/477713333.db2.gz VEULEVVTROQTEU-FCEWJHQRSA-N 1 3 345.462 2.561 20 0 EFADHO C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345732 477713432 /nfs/dbraw/zinc/71/34/32/477713432.db2.gz WNMKMFMKJQAORG-ILXRZTDVSA-N 1 3 335.879 2.989 20 0 EFADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345330 477713924 /nfs/dbraw/zinc/71/39/24/477713924.db2.gz VVSFCIYUWBDFCX-LJQANCHMSA-N 1 3 343.471 2.682 20 0 EFADHO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000420345055 477714133 /nfs/dbraw/zinc/71/41/33/477714133.db2.gz UZZGFCAPMFSRQA-BETUJISGSA-N 1 3 341.377 2.575 20 0 EFADHO CC[C@]1(CO)CCCN(C/C=C\C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426521330 477714201 /nfs/dbraw/zinc/71/42/01/477714201.db2.gz HVFCOVDAOFRGJO-XHHZUUQWSA-N 1 3 338.536 2.512 20 0 EFADHO CC[C@]1(CO)CCCN(C/C=C\C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426521330 477714204 /nfs/dbraw/zinc/71/42/04/477714204.db2.gz HVFCOVDAOFRGJO-XHHZUUQWSA-N 1 3 338.536 2.512 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346316 477716048 /nfs/dbraw/zinc/71/60/48/477716048.db2.gz WHSSGZWQJOELHX-ACZWYYKOSA-N 1 3 343.515 2.746 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420346319 477716276 /nfs/dbraw/zinc/71/62/76/477716276.db2.gz WHSSGZWQJOELHX-SMOSDQRPSA-N 1 3 343.515 2.746 20 0 EFADHO c1ccc(Oc2ccccc2CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350638 477717177 /nfs/dbraw/zinc/71/71/77/477717177.db2.gz UHGDYRYGSXCFSL-LJQANCHMSA-N 1 3 337.467 2.958 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000420375209 477730540 /nfs/dbraw/zinc/73/05/40/477730540.db2.gz ILVIKODQOWORDO-QZTJIDSGSA-N 1 3 338.879 2.937 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420380018 477734983 /nfs/dbraw/zinc/73/49/83/477734983.db2.gz BKGYXOAJGMEGEP-YLJYHZDGSA-N 1 3 348.487 2.682 20 0 EFADHO CCOc1ccccc1OCCN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420380016 477735605 /nfs/dbraw/zinc/73/56/05/477735605.db2.gz BKGYXOAJGMEGEP-PXNSSMCTSA-N 1 3 348.487 2.682 20 0 EFADHO CCc1cccc(OCCN2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000420389503 477740554 /nfs/dbraw/zinc/74/05/54/477740554.db2.gz MEHFDPPPUFTGBN-AZUAARDMSA-N 1 3 332.488 2.846 20 0 EFADHO CCc1cccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420390729 477742562 /nfs/dbraw/zinc/74/25/62/477742562.db2.gz ZSGGNRAGOXAAQS-UXHICEINSA-N 1 3 332.488 2.846 20 0 EFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1CC1 ZINC000437703405 477743014 /nfs/dbraw/zinc/74/30/14/477743014.db2.gz KYAFTSYHSSERML-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CC1 ZINC000437703405 477743020 /nfs/dbraw/zinc/74/30/20/477743020.db2.gz KYAFTSYHSSERML-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO O=C(CCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000420392687 477744905 /nfs/dbraw/zinc/74/49/05/477744905.db2.gz JDAIBYDZZNTVIS-CXAGYDPISA-N 1 3 337.414 2.757 20 0 EFADHO O=C(CCN1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCc1ccccc1Cl ZINC000420397690 477746935 /nfs/dbraw/zinc/74/69/35/477746935.db2.gz MURLXECPKSXJEI-WMZOPIPTSA-N 1 3 349.906 2.810 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420401237 477749343 /nfs/dbraw/zinc/74/93/43/477749343.db2.gz IXHIGTHXBQCCID-QWHCGFSZSA-N 1 3 339.867 2.594 20 0 EFADHO C[C@@H]1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000420422825 477756614 /nfs/dbraw/zinc/75/66/14/477756614.db2.gz ZTSZHKGJEQEOQR-OLZOCXBDSA-N 1 3 343.393 2.951 20 0 EFADHO C[C@@H]1CN(Cc2cccc3cccnc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000372333265 477760094 /nfs/dbraw/zinc/76/00/94/477760094.db2.gz PVFWMQBNUXZSFQ-XLIONFOSSA-N 1 3 338.499 2.693 20 0 EFADHO Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372334671 477760393 /nfs/dbraw/zinc/76/03/93/477760393.db2.gz WTLUEUQFYOAHIR-VQTJNVASSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000372334671 477760399 /nfs/dbraw/zinc/76/03/99/477760399.db2.gz WTLUEUQFYOAHIR-VQTJNVASSA-N 1 3 345.531 2.640 20 0 EFADHO C[C@H]1CN(Cc2cccc3cccnc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000372333257 477760458 /nfs/dbraw/zinc/76/04/58/477760458.db2.gz PVFWMQBNUXZSFQ-FXAWDEMLSA-N 1 3 338.499 2.693 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)[C@H]2C1 ZINC000455837654 477763544 /nfs/dbraw/zinc/76/35/44/477763544.db2.gz BQLDQZUVZFGENQ-ZMYBRWDISA-N 1 3 342.487 2.793 20 0 EFADHO C[C@H]1CCN(C)CCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455871686 477771128 /nfs/dbraw/zinc/77/11/28/477771128.db2.gz YHQBOFOUCTZJFI-KSSFIOAISA-N 1 3 330.476 2.793 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000450973566 477781451 /nfs/dbraw/zinc/78/14/51/477781451.db2.gz UGFDPEMBCIALLP-RTBURBONSA-N 1 3 337.552 2.730 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CCC1 ZINC000368464463 477809590 /nfs/dbraw/zinc/80/95/90/477809590.db2.gz FFNMMWLABLZHTQ-SJLPKXTDSA-N 1 3 335.536 2.926 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@H]3C)CC2)CC1 ZINC000515500575 477833104 /nfs/dbraw/zinc/83/31/04/477833104.db2.gz TUPXGVDJEMWGHG-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCC[C@H]3C)CC2)CC1 ZINC000515500580 477833261 /nfs/dbraw/zinc/83/32/61/477833261.db2.gz TUPXGVDJEMWGHG-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCC[C@@H]3C)CC2)CC1 ZINC000515500581 477833299 /nfs/dbraw/zinc/83/32/99/477833299.db2.gz TUPXGVDJEMWGHG-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCOc1ccc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1OC ZINC000515517350 477835555 /nfs/dbraw/zinc/83/55/55/477835555.db2.gz RSELUWUHGAJQOI-YLJYHZDGSA-N 1 3 348.487 2.812 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459312184 477836337 /nfs/dbraw/zinc/83/63/37/477836337.db2.gz NYSQBAAMOYWDKX-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459312184 477836347 /nfs/dbraw/zinc/83/63/47/477836347.db2.gz NYSQBAAMOYWDKX-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@]1(C)CCCO1 ZINC000428246540 477852675 /nfs/dbraw/zinc/85/26/75/477852675.db2.gz OBYNCDAQNUFRTG-OXQOHEQNSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438551329 477861377 /nfs/dbraw/zinc/86/13/77/477861377.db2.gz FFRDDJGWFXAHLC-ZMMAXQRCSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000438551329 477861380 /nfs/dbraw/zinc/86/13/80/477861380.db2.gz FFRDDJGWFXAHLC-ZMMAXQRCSA-N 1 3 335.536 2.876 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOCCC(C)C)CC2)CC1 ZINC000420975428 477870017 /nfs/dbraw/zinc/87/00/17/477870017.db2.gz FYIQPHYVMKDLEQ-UHFFFAOYSA-N 1 3 325.541 2.541 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOCCC(C)C)CC2)CC1 ZINC000420975428 477870024 /nfs/dbraw/zinc/87/00/24/477870024.db2.gz FYIQPHYVMKDLEQ-UHFFFAOYSA-N 1 3 325.541 2.541 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000459376641 477873557 /nfs/dbraw/zinc/87/35/57/477873557.db2.gz LDXDSWGLJLEWMB-NRFANRHFSA-N 1 3 338.499 2.813 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc(COC)c3)CC2)CC1 ZINC000420981736 477874813 /nfs/dbraw/zinc/87/48/13/477874813.db2.gz NTEPDSATHHPDQW-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc(COC)c3)CC2)CC1 ZINC000420981736 477874820 /nfs/dbraw/zinc/87/48/20/477874820.db2.gz NTEPDSATHHPDQW-UHFFFAOYSA-N 1 3 345.531 2.825 20 0 EFADHO CCN1CCC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000493923085 477879008 /nfs/dbraw/zinc/87/90/08/477879008.db2.gz XGNDOQMKHNVEPD-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1)[NH+](C)C ZINC000456349379 477879544 /nfs/dbraw/zinc/87/95/44/477879544.db2.gz VQNSJOYYDDTRAZ-MJGOQNOKSA-N 1 3 331.504 2.553 20 0 EFADHO COCCNc1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459419811 477897418 /nfs/dbraw/zinc/89/74/18/477897418.db2.gz BLFITVURLPAQNS-UHFFFAOYSA-N 1 3 340.471 2.899 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000516175189 477901827 /nfs/dbraw/zinc/90/18/27/477901827.db2.gz HBKWDLKPTXWTJK-WOJBJXKFSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COCc2ccccc2)C1 ZINC000516175189 477901832 /nfs/dbraw/zinc/90/18/32/477901832.db2.gz HBKWDLKPTXWTJK-WOJBJXKFSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000516175189 477901839 /nfs/dbraw/zinc/90/18/39/477901839.db2.gz HBKWDLKPTXWTJK-WOJBJXKFSA-N 1 3 334.504 2.522 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000428461752 477901974 /nfs/dbraw/zinc/90/19/74/477901974.db2.gz JOOCDPCSFALVHA-NHCUHLMSSA-N 1 3 345.531 2.954 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000428461752 477901982 /nfs/dbraw/zinc/90/19/82/477901982.db2.gz JOOCDPCSFALVHA-NHCUHLMSSA-N 1 3 345.531 2.954 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2c(C)nn(CC)c2C)[C@H](C)C1 ZINC000532497115 477937278 /nfs/dbraw/zinc/93/72/78/477937278.db2.gz RQPMFRUJXIKDJA-DNVCBOLYSA-N 1 3 336.524 2.746 20 0 EFADHO OC[C@H](Cc1c[nH]c2ccccc12)NC1CC[NH+](CC2CC2)CC1 ZINC000532499446 477937490 /nfs/dbraw/zinc/93/74/90/477937490.db2.gz IMVXWINSDYDLFH-SFHVURJKSA-N 1 3 327.472 2.535 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000439179475 477938930 /nfs/dbraw/zinc/93/89/30/477938930.db2.gz VLKSYXIZQGFARZ-XDNAFOTISA-N 1 3 336.524 2.518 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000439179475 477938934 /nfs/dbraw/zinc/93/89/34/477938934.db2.gz VLKSYXIZQGFARZ-XDNAFOTISA-N 1 3 336.524 2.518 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)CC1 ZINC000532584225 477949734 /nfs/dbraw/zinc/94/97/34/477949734.db2.gz LWUKOENUSIATLU-HKUYNNGSSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)CC1 ZINC000532584225 477949743 /nfs/dbraw/zinc/94/97/43/477949743.db2.gz LWUKOENUSIATLU-HKUYNNGSSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@](CO)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000459519415 477951167 /nfs/dbraw/zinc/95/11/67/477951167.db2.gz JVDJAJMTQWTLRH-NRFANRHFSA-N 1 3 339.483 2.881 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000516667332 477971630 /nfs/dbraw/zinc/97/16/30/477971630.db2.gz OTDZMHDWRJJMDX-IBGZPJMESA-N 1 3 346.519 2.629 20 0 EFADHO CCOc1cc(CN(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)ccc1O ZINC000459555958 477972326 /nfs/dbraw/zinc/97/23/26/477972326.db2.gz HGUSFLGOLYFLDI-GOSISDBHSA-N 1 3 349.519 2.639 20 0 EFADHO CCOc1cc(CN(CCN(C)C)C[C@H]2CCC[N@H+]2CC)ccc1O ZINC000459555958 477972333 /nfs/dbraw/zinc/97/23/33/477972333.db2.gz HGUSFLGOLYFLDI-GOSISDBHSA-N 1 3 349.519 2.639 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000465457182 477975880 /nfs/dbraw/zinc/97/58/80/477975880.db2.gz VUHXYIOHFCLOEG-ROUUACIJSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000465457182 477975884 /nfs/dbraw/zinc/97/58/84/477975884.db2.gz VUHXYIOHFCLOEG-ROUUACIJSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000465457181 477976249 /nfs/dbraw/zinc/97/62/49/477976249.db2.gz VUHXYIOHFCLOEG-QZTJIDSGSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000465457181 477976256 /nfs/dbraw/zinc/97/62/56/477976256.db2.gz VUHXYIOHFCLOEG-QZTJIDSGSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCCCCC1 ZINC000465435357 477976509 /nfs/dbraw/zinc/97/65/09/477976509.db2.gz AGWDKPIMVLRFQG-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCCCCC1 ZINC000465435357 477976516 /nfs/dbraw/zinc/97/65/16/477976516.db2.gz AGWDKPIMVLRFQG-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@](CO)(C[NH2+]C1CCN(c2ccncc2)CC1)c1ccccc1 ZINC000459563577 477976960 /nfs/dbraw/zinc/97/69/60/477976960.db2.gz QZHWXMTZIZEBKK-FQEVSTJZSA-N 1 3 325.456 2.590 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000465527161 477978549 /nfs/dbraw/zinc/97/85/49/477978549.db2.gz GXAOTKAXFSTFNG-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)C1 ZINC000465527161 477978556 /nfs/dbraw/zinc/97/85/56/477978556.db2.gz GXAOTKAXFSTFNG-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000516824254 477991232 /nfs/dbraw/zinc/99/12/32/477991232.db2.gz BATXWORSCUNVGE-JENIJYKNSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000516824254 477991237 /nfs/dbraw/zinc/99/12/37/477991237.db2.gz BATXWORSCUNVGE-JENIJYKNSA-N 1 3 346.519 2.677 20 0 EFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000465858854 477992018 /nfs/dbraw/zinc/99/20/18/477992018.db2.gz KEHZVKHBXGARHN-IAGOWNOFSA-N 1 3 340.556 2.869 20 0 EFADHO CC[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCC[N@H+]1CC)C(C)(C)C ZINC000465858854 477992023 /nfs/dbraw/zinc/99/20/23/477992023.db2.gz KEHZVKHBXGARHN-IAGOWNOFSA-N 1 3 340.556 2.869 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCC(C)(C)c1ccccc1 ZINC000532814862 477995755 /nfs/dbraw/zinc/99/57/55/477995755.db2.gz NFCDHVZTZRBHPB-UHFFFAOYSA-N 1 3 333.520 2.696 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428851426 477995928 /nfs/dbraw/zinc/99/59/28/477995928.db2.gz QSRUAQMJYJFISS-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)nn1 ZINC000516855168 477997216 /nfs/dbraw/zinc/99/72/16/477997216.db2.gz YJXFAVKSEWVLBZ-HXUWFJFHSA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)nn1 ZINC000516855168 477997224 /nfs/dbraw/zinc/99/72/24/477997224.db2.gz YJXFAVKSEWVLBZ-HXUWFJFHSA-N 1 3 348.454 2.636 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428863515 477998472 /nfs/dbraw/zinc/99/84/72/477998472.db2.gz YAMBMSNIBJHLKK-AWEZNQCLSA-N 1 3 337.464 2.762 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1nc2ccc(F)cc2s1 ZINC000428863515 477998480 /nfs/dbraw/zinc/99/84/80/477998480.db2.gz YAMBMSNIBJHLKK-AWEZNQCLSA-N 1 3 337.464 2.762 20 0 EFADHO CC1(c2ccccc2)CC(NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000459595811 478000431 /nfs/dbraw/zinc/00/04/31/478000431.db2.gz TYCAETQPXABHSF-UHFFFAOYSA-N 1 3 343.515 2.689 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)OC)CC1 ZINC000494522740 478002407 /nfs/dbraw/zinc/00/24/07/478002407.db2.gz LGQZKPZKFLHXDC-WBVHZDCISA-N 1 3 325.497 2.707 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)CCC3CC3)CC2)CC1 ZINC000516876630 478004273 /nfs/dbraw/zinc/00/42/73/478004273.db2.gz CGTIFTKAPHNDAF-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO COC(=O)[C@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccc(F)cc1 ZINC000559964168 478009002 /nfs/dbraw/zinc/00/90/02/478009002.db2.gz NYTQWEADOTUIFP-HXUWFJFHSA-N 1 3 348.462 2.720 20 0 EFADHO CC[N@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CCC1 ZINC000532977061 478015621 /nfs/dbraw/zinc/01/56/21/478015621.db2.gz KOIAAQQAEDFDOY-UHFFFAOYSA-N 1 3 343.515 2.904 20 0 EFADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)C1CCC1 ZINC000532977061 478015635 /nfs/dbraw/zinc/01/56/35/478015635.db2.gz KOIAAQQAEDFDOY-UHFFFAOYSA-N 1 3 343.515 2.904 20 0 EFADHO COc1cc(OC)c(C[C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000516964488 478024735 /nfs/dbraw/zinc/02/47/35/478024735.db2.gz FFNFBHPZTQIYFO-ZNMIVQPWSA-N 1 3 336.476 2.621 20 0 EFADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@H](C)[C@H]2CCCNC2)c(OC)c1 ZINC000516964488 478024742 /nfs/dbraw/zinc/02/47/42/478024742.db2.gz FFNFBHPZTQIYFO-ZNMIVQPWSA-N 1 3 336.476 2.621 20 0 EFADHO C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000429000168 478029802 /nfs/dbraw/zinc/02/98/02/478029802.db2.gz FVUMGLGELGIXAD-JQHSSLGASA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@H]1CCC[NH2+]C1 ZINC000429000169 478029893 /nfs/dbraw/zinc/02/98/93/478029893.db2.gz FVUMGLGELGIXAD-RYQLBKOJSA-N 1 3 347.478 2.542 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459682417 478038931 /nfs/dbraw/zinc/03/89/31/478038931.db2.gz YOFZPCAPWIUYAR-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000487559366 478049294 /nfs/dbraw/zinc/04/92/94/478049294.db2.gz KZXIIGGKUUSYME-VEBBDIFPSA-N 1 3 337.467 2.841 20 0 EFADHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNC/C=C\c1ccncc1 ZINC000487559366 478049300 /nfs/dbraw/zinc/04/93/00/478049300.db2.gz KZXIIGGKUUSYME-VEBBDIFPSA-N 1 3 337.467 2.841 20 0 EFADHO CCc1ccc(CN2CCCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC000421367205 478057674 /nfs/dbraw/zinc/05/76/74/478057674.db2.gz DWDYRDWDRFREQI-UHFFFAOYSA-N 1 3 330.520 2.636 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(C)cc3OC)CC2)CC1 ZINC000421368171 478059114 /nfs/dbraw/zinc/05/91/14/478059114.db2.gz GERPMUMRVPNXDA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3ccc(C)cc3OC)CC2)CC1 ZINC000421368171 478059121 /nfs/dbraw/zinc/05/91/21/478059121.db2.gz GERPMUMRVPNXDA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C)cc3OC)CC2)CC1 ZINC000421368171 478059124 /nfs/dbraw/zinc/05/91/24/478059124.db2.gz GERPMUMRVPNXDA-UHFFFAOYSA-N 1 3 345.531 2.996 20 0 EFADHO C[C@@H]1C[C@H](C)CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000533294988 478059210 /nfs/dbraw/zinc/05/92/10/478059210.db2.gz RHYAAFQUJPHLTE-DLBZAZTESA-N 1 3 329.488 2.629 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCCc3ccc(C)nc3)CC2)CC1 ZINC000421376363 478062340 /nfs/dbraw/zinc/06/23/40/478062340.db2.gz QCGNSBIXWMXCIR-UHFFFAOYSA-N 1 3 344.547 2.815 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCCc3ccc(C)nc3)CC2)CC1 ZINC000421376363 478062347 /nfs/dbraw/zinc/06/23/47/478062347.db2.gz QCGNSBIXWMXCIR-UHFFFAOYSA-N 1 3 344.547 2.815 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000440167125 478083854 /nfs/dbraw/zinc/08/38/54/478083854.db2.gz IALLUQKQWCFKIF-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000440167125 478083860 /nfs/dbraw/zinc/08/38/60/478083860.db2.gz IALLUQKQWCFKIF-RBUKOAKNSA-N 1 3 329.488 2.813 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000560513823 478101392 /nfs/dbraw/zinc/10/13/92/478101392.db2.gz GRMLWLMKWXSYFD-SFHVURJKSA-N 1 3 333.524 2.648 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCCN2CCCC2)C1 ZINC000495066269 478116238 /nfs/dbraw/zinc/11/62/38/478116238.db2.gz KDUVBGDTLCWFMW-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCN2CCCC2)C1 ZINC000495066269 478116246 /nfs/dbraw/zinc/11/62/46/478116246.db2.gz KDUVBGDTLCWFMW-CVEARBPZSA-N 1 3 325.497 2.707 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517740292 478119636 /nfs/dbraw/zinc/11/96/36/478119636.db2.gz BQGXREIRRWDPKB-KSZLIROESA-N 1 3 340.556 2.582 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000517740292 478119640 /nfs/dbraw/zinc/11/96/40/478119640.db2.gz BQGXREIRRWDPKB-KSZLIROESA-N 1 3 340.556 2.582 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@@H+]1CCCC[C@H]1C ZINC000518135178 478145722 /nfs/dbraw/zinc/14/57/22/478145722.db2.gz XSISFFFEXMXREC-CABCVRRESA-N 1 3 330.476 2.717 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[N@H+]1CCCC[C@H]1C ZINC000518135178 478145728 /nfs/dbraw/zinc/14/57/28/478145728.db2.gz XSISFFFEXMXREC-CABCVRRESA-N 1 3 330.476 2.717 20 0 EFADHO CCc1c(C)[nH+]c2ccccc2c1NCCN1CCN(C)C(C)(C)C1 ZINC000440668322 478148435 /nfs/dbraw/zinc/14/84/35/478148435.db2.gz ROCLMVZSXPOYQJ-UHFFFAOYSA-N 1 3 340.515 2.965 20 0 EFADHO CN1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccccc1 ZINC000561060220 478149183 /nfs/dbraw/zinc/14/91/83/478149183.db2.gz GREYZVNDQYKKSN-OALUTQOASA-N 1 3 336.439 2.857 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccnn3C(C)C)CC2)CC1 ZINC000561106144 478153182 /nfs/dbraw/zinc/15/31/82/478153182.db2.gz GIFCCKOPKRUHEZ-UHFFFAOYSA-N 1 3 347.507 2.599 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)CN1C1CC1 ZINC000440769086 478157689 /nfs/dbraw/zinc/15/76/89/478157689.db2.gz DPZMKLVKNGMGMA-HZPDHXFCSA-N 1 3 336.524 2.565 20 0 EFADHO CC[C@H](F)CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000440792994 478160933 /nfs/dbraw/zinc/16/09/33/478160933.db2.gz NZYAMOLTFNDCNW-IBGZPJMESA-N 1 3 349.494 2.695 20 0 EFADHO CC[C@H](F)CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000440792994 478160940 /nfs/dbraw/zinc/16/09/40/478160940.db2.gz NZYAMOLTFNDCNW-IBGZPJMESA-N 1 3 349.494 2.695 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495377453 478185328 /nfs/dbraw/zinc/18/53/28/478185328.db2.gz PJTIFNSEMRMFKL-SFHVURJKSA-N 1 3 327.513 2.953 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441058406 478191087 /nfs/dbraw/zinc/19/10/87/478191087.db2.gz SJQJEFIJHFGYND-LZLYRXPVSA-N 1 3 336.524 2.565 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000441058406 478191092 /nfs/dbraw/zinc/19/10/92/478191092.db2.gz SJQJEFIJHFGYND-LZLYRXPVSA-N 1 3 336.524 2.565 20 0 EFADHO CCN(CC)CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495419126 478193406 /nfs/dbraw/zinc/19/34/06/478193406.db2.gz UFPPYFFRKLSWBJ-SFHVURJKSA-N 1 3 327.513 2.955 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000495433893 478196773 /nfs/dbraw/zinc/19/67/73/478196773.db2.gz LEFNJZBTYHHIAF-CABCVRRESA-N 1 3 325.497 2.706 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000495433893 478196777 /nfs/dbraw/zinc/19/67/77/478196777.db2.gz LEFNJZBTYHHIAF-CABCVRRESA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCCN2CCCC2)C1 ZINC000495457868 478201638 /nfs/dbraw/zinc/20/16/38/478201638.db2.gz DBJAZDVSUGTBGI-SFHVURJKSA-N 1 3 325.497 2.709 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]CCCN2CCCC2)C1 ZINC000495457867 478201796 /nfs/dbraw/zinc/20/17/96/478201796.db2.gz DBJAZDVSUGTBGI-GOSISDBHSA-N 1 3 325.497 2.709 20 0 EFADHO CC1(C)C[C@@H](O)CCN(C/C=C\C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808354 478210839 /nfs/dbraw/zinc/21/08/39/478210839.db2.gz JIYMJHKMJSTUAU-SPCWZHTESA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CCN(C/C=C\C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808354 478210842 /nfs/dbraw/zinc/21/08/42/478210842.db2.gz JIYMJHKMJSTUAU-SPCWZHTESA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CC[N@@H+](C/C=C\CN2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808354 478210845 /nfs/dbraw/zinc/21/08/45/478210845.db2.gz JIYMJHKMJSTUAU-SPCWZHTESA-N 1 3 338.536 2.508 20 0 EFADHO CC1(C)C[C@@H](O)CC[N@H+](C/C=C\CN2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451808354 478210848 /nfs/dbraw/zinc/21/08/48/478210848.db2.gz JIYMJHKMJSTUAU-SPCWZHTESA-N 1 3 338.536 2.508 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519141241 478210858 /nfs/dbraw/zinc/21/08/58/478210858.db2.gz UVGUCEPERZZZQZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519141241 478210863 /nfs/dbraw/zinc/21/08/63/478210863.db2.gz UVGUCEPERZZZQZ-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H](CCN1CC[C@H](O)CC(C)(C)C1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451811539 478212659 /nfs/dbraw/zinc/21/26/59/478212659.db2.gz PHEOVXDXPGSOAE-FGTMMUONSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CCN1CC[C@H](O)CC(C)(C)C1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451811539 478212662 /nfs/dbraw/zinc/21/26/62/478212662.db2.gz PHEOVXDXPGSOAE-FGTMMUONSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@H](O)CC(C)(C)C1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451811539 478212664 /nfs/dbraw/zinc/21/26/64/478212664.db2.gz PHEOVXDXPGSOAE-FGTMMUONSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@H](O)CC(C)(C)C1)N1CC[C@@H](O)CC(C)(C)C1 ZINC000451811539 478212668 /nfs/dbraw/zinc/21/26/68/478212668.db2.gz PHEOVXDXPGSOAE-FGTMMUONSA-N 1 3 340.552 2.731 20 0 EFADHO CCCn1nc(C)c(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1C ZINC000519350686 478221372 /nfs/dbraw/zinc/22/13/72/478221372.db2.gz PVSQYRRLCQNUIT-HKUYNNGSSA-N 1 3 334.508 2.628 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652986 478257152 /nfs/dbraw/zinc/25/71/52/478257152.db2.gz AKIFKQKBLCMRCG-MAUKXSAKSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652986 478257157 /nfs/dbraw/zinc/25/71/57/478257157.db2.gz AKIFKQKBLCMRCG-MAUKXSAKSA-N 1 3 325.497 2.707 20 0 EFADHO COc1cc(OC)c([C@H](C)NCCOCC[NH+](C)C)cc1Cl ZINC000562498559 478257476 /nfs/dbraw/zinc/25/74/76/478257476.db2.gz ABQGEYIHJXCKMJ-LBPRGKRZSA-N 1 3 330.856 2.586 20 0 EFADHO C[N@H+](CCCNC[C@H](O)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000519819835 478264434 /nfs/dbraw/zinc/26/44/34/478264434.db2.gz NMMRLRJULVGSFU-HXUWFJFHSA-N 1 3 330.447 2.841 20 0 EFADHO C[N@@H+](CCCNC[C@H](O)Cc1ccc(F)cc1)Cc1ccccc1 ZINC000519819835 478264438 /nfs/dbraw/zinc/26/44/38/478264438.db2.gz NMMRLRJULVGSFU-HXUWFJFHSA-N 1 3 330.447 2.841 20 0 EFADHO OC[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000579341972 478273744 /nfs/dbraw/zinc/27/37/44/478273744.db2.gz HYCXGRNAKZBOFK-HBFSDRIKSA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)(CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000570086700 478281019 /nfs/dbraw/zinc/28/10/19/478281019.db2.gz FAYLANPXAALDTL-MJGOQNOKSA-N 1 3 343.515 2.847 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C)c(O)c3)CC2)CC1 ZINC000570104498 478284437 /nfs/dbraw/zinc/28/44/37/478284437.db2.gz LUYPXIZBACGQKA-UHFFFAOYSA-N 1 3 345.487 2.835 20 0 EFADHO CCC[NH+]1CCC(NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000520331665 478297699 /nfs/dbraw/zinc/29/76/99/478297699.db2.gz VCZLPRPNLBSVAF-CQSZACIVSA-N 1 3 344.421 2.719 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2C[C@H](c3ccc(C)cc3)C[C@H]2C)CC1 ZINC000490087018 478311402 /nfs/dbraw/zinc/31/14/02/478311402.db2.gz DIGYBSOSVNMLEH-IEBWSBKVSA-N 1 3 343.515 2.773 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(CCc2ccccc2)CC(C)C)CC1 ZINC000520603262 478329695 /nfs/dbraw/zinc/32/96/95/478329695.db2.gz XJROLYDHXZFOQK-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000579623853 478343173 /nfs/dbraw/zinc/34/31/73/478343173.db2.gz ALLQAOUGWTWQEK-MRXNPFEDSA-N 1 3 337.533 2.808 20 0 EFADHO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000562769727 478345645 /nfs/dbraw/zinc/34/56/45/478345645.db2.gz VHJVROZVFCLBBW-NSHDSACASA-N 1 3 344.381 2.627 20 0 EFADHO C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(CN)cc(C(F)(F)F)c2)C1 ZINC000562769727 478345650 /nfs/dbraw/zinc/34/56/50/478345650.db2.gz VHJVROZVFCLBBW-NSHDSACASA-N 1 3 344.381 2.627 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000521039546 478364419 /nfs/dbraw/zinc/36/44/19/478364419.db2.gz CDEFCHOADHYOIC-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO CCN1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875817 478380720 /nfs/dbraw/zinc/38/07/20/478380720.db2.gz MPVQKRRPFQDFBF-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875817 478380731 /nfs/dbraw/zinc/38/07/31/478380731.db2.gz MPVQKRRPFQDFBF-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875817 478380736 /nfs/dbraw/zinc/38/07/36/478380736.db2.gz MPVQKRRPFQDFBF-JYJNAYRXSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000562958597 478392888 /nfs/dbraw/zinc/39/28/88/478392888.db2.gz AOMVCPSRVYKMSJ-RHQZKXFESA-N 1 3 335.536 2.970 20 0 EFADHO CCc1noc(-c2ccc(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)n1 ZINC000562960527 478394299 /nfs/dbraw/zinc/39/42/99/478394299.db2.gz NYKSBUISNTUHCO-SJPCQFCGSA-N 1 3 326.444 2.714 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H](CC1CC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000581602104 478397849 /nfs/dbraw/zinc/39/78/49/478397849.db2.gz ZTPLNGUENNWERB-DLBZAZTESA-N 1 3 341.421 2.954 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCCS(=O)(=O)c1ccccc1 ZINC000562987746 478403900 /nfs/dbraw/zinc/40/39/00/478403900.db2.gz KGLZXNKDLHNTOC-KRWDZBQOSA-N 1 3 338.517 2.705 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCCS(=O)(=O)c1ccccc1 ZINC000562987746 478403901 /nfs/dbraw/zinc/40/39/01/478403901.db2.gz KGLZXNKDLHNTOC-KRWDZBQOSA-N 1 3 338.517 2.705 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](NC[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989064 478403956 /nfs/dbraw/zinc/40/39/56/478403956.db2.gz DSRQGXJMALCPAP-KURKYZTESA-N 1 3 340.895 2.680 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000562989064 478403963 /nfs/dbraw/zinc/40/39/63/478403963.db2.gz DSRQGXJMALCPAP-KURKYZTESA-N 1 3 340.895 2.680 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000570783173 478444265 /nfs/dbraw/zinc/44/42/65/478444265.db2.gz IOKZYGICOGMHIY-UHFFFAOYSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000570836054 478459222 /nfs/dbraw/zinc/45/92/22/478459222.db2.gz AZMZKLUOQCENIR-LTCOOKNTSA-N 1 3 340.895 2.851 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000570836054 478459229 /nfs/dbraw/zinc/45/92/29/478459229.db2.gz AZMZKLUOQCENIR-LTCOOKNTSA-N 1 3 340.895 2.851 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495983758 478459742 /nfs/dbraw/zinc/45/97/42/478459742.db2.gz SHDQGNYRTSWHOO-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000591097407 478461495 /nfs/dbraw/zinc/46/14/95/478461495.db2.gz RNSUNRMMVKTUOI-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000591097407 478461501 /nfs/dbraw/zinc/46/15/01/478461501.db2.gz RNSUNRMMVKTUOI-HXUWFJFHSA-N 1 3 343.515 2.904 20 0 EFADHO CC(C)N(CCN1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000563155217 478463806 /nfs/dbraw/zinc/46/38/06/478463806.db2.gz KNLRZTBUFDRDKM-UHFFFAOYSA-N 1 3 340.309 2.565 20 0 EFADHO Cc1ccccc1[C@@H](CN1CCOCC1)NCc1ccc(C[NH3+])cc1 ZINC000563154059 478463826 /nfs/dbraw/zinc/46/38/26/478463826.db2.gz NENSDQSEBDOQTG-OAQYLSRUSA-N 1 3 339.483 2.617 20 0 EFADHO CC(C)[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000540192737 478467090 /nfs/dbraw/zinc/46/70/90/478467090.db2.gz OMNARNJTNUCQCG-WMQCIHAUSA-N 1 3 329.532 2.999 20 0 EFADHO C[C@@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCOC2=O)c1 ZINC000496063435 478511035 /nfs/dbraw/zinc/51/10/35/478511035.db2.gz DDZMPOQUWZNWRA-CQSZACIVSA-N 1 3 325.412 2.953 20 0 EFADHO C[NH+](C)CCc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000571057162 478513118 /nfs/dbraw/zinc/51/31/18/478513118.db2.gz KLECIGHSXLYAMJ-UHFFFAOYSA-N 1 3 331.504 2.737 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527785735 478517444 /nfs/dbraw/zinc/51/74/44/478517444.db2.gz BHTWVRJPTHSVFU-IBGZPJMESA-N 1 3 348.535 2.710 20 0 EFADHO C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1=CC[N@H+](C)CC1 ZINC000540965859 478521736 /nfs/dbraw/zinc/52/17/36/478521736.db2.gz PLTMPLHXVXOHBQ-OAHLLOKOSA-N 1 3 336.439 2.627 20 0 EFADHO C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000540965859 478521743 /nfs/dbraw/zinc/52/17/43/478521743.db2.gz PLTMPLHXVXOHBQ-OAHLLOKOSA-N 1 3 336.439 2.627 20 0 EFADHO CSc1ccc(OC[C@H](O)C[NH2+]CCCN2CCCCC2)cc1 ZINC000563343184 478521913 /nfs/dbraw/zinc/52/19/13/478521913.db2.gz DPGLYUGHZUTWIG-MRXNPFEDSA-N 1 3 338.517 2.614 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CCN2C2CCCCC2)C1 ZINC000527825736 478537401 /nfs/dbraw/zinc/53/74/01/478537401.db2.gz TZXWNJHRJCGMLY-JQHSSLGASA-N 1 3 336.524 2.565 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101165 478537959 /nfs/dbraw/zinc/53/79/59/478537959.db2.gz PRTMKTFYIRUSII-LVQVYYBASA-N 1 3 325.497 2.895 20 0 EFADHO CC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496101165 478537966 /nfs/dbraw/zinc/53/79/66/478537966.db2.gz PRTMKTFYIRUSII-LVQVYYBASA-N 1 3 325.497 2.895 20 0 EFADHO CN(C)CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)C1CCCC1 ZINC000563387053 478543227 /nfs/dbraw/zinc/54/32/27/478543227.db2.gz WZXZNDKKMJJFKS-UHFFFAOYSA-N 1 3 331.504 2.737 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)C[C@@H](N)Cc2ccccc2)CC1 ZINC000582238613 478547871 /nfs/dbraw/zinc/54/78/71/478547871.db2.gz LEVPFOQIOOHZEA-IBGZPJMESA-N 1 3 331.504 2.575 20 0 EFADHO C[N@H+](C[C@@H](O)CNCC(C)(C)c1ccc(F)cc1Cl)C1CC1 ZINC000571277766 478559057 /nfs/dbraw/zinc/55/90/57/478559057.db2.gz VALBIVMQGAHFMJ-AWEZNQCLSA-N 1 3 328.859 2.801 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCC(C)(C)c1ccc(F)cc1Cl)C1CC1 ZINC000571277766 478559058 /nfs/dbraw/zinc/55/90/58/478559058.db2.gz VALBIVMQGAHFMJ-AWEZNQCLSA-N 1 3 328.859 2.801 20 0 EFADHO CN(C)Cc1ccc(-c2noc(C[C@@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000582359383 478578453 /nfs/dbraw/zinc/57/84/53/478578453.db2.gz JLZRHLJDRJRCQW-SFHVURJKSA-N 1 3 336.439 2.911 20 0 EFADHO CCC[C@H](N[C@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccn1 ZINC000591566699 478583328 /nfs/dbraw/zinc/58/33/28/478583328.db2.gz KTXNRSGSXJXYNI-WBVHZDCISA-N 1 3 333.476 2.834 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000563545954 478584527 /nfs/dbraw/zinc/58/45/27/478584527.db2.gz XIDBIWRFPQWFSH-UHOSZYNNSA-N 1 3 344.503 2.592 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)N2CCCC2)cc1 ZINC000563561386 478588840 /nfs/dbraw/zinc/58/88/40/478588840.db2.gz HTCKEKBHZRHNCE-UHOSZYNNSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000571433354 478595872 /nfs/dbraw/zinc/59/58/72/478595872.db2.gz ZIVLIKGZOROJIE-DAXOMENPSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@H](NC[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000571433354 478595879 /nfs/dbraw/zinc/59/58/79/478595879.db2.gz ZIVLIKGZOROJIE-DAXOMENPSA-N 1 3 330.394 2.681 20 0 EFADHO CC1CCN([C@@H](CNC(=O)/C=C\C[NH+](C)C)c2cccs2)CC1 ZINC000491632101 478606879 /nfs/dbraw/zinc/60/68/79/478606879.db2.gz GBCQXPCLSWGZHP-OUOZUETKSA-N 1 3 335.517 2.755 20 0 EFADHO [NH3+]CCCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000571521045 478616086 /nfs/dbraw/zinc/61/60/86/478616086.db2.gz QPGKSLIDDHGKSB-FQEVSTJZSA-N 1 3 329.488 2.630 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC000563726992 478625553 /nfs/dbraw/zinc/62/55/53/478625553.db2.gz QUJHBYWVEGJBBI-DLBZAZTESA-N 1 3 329.488 2.670 20 0 EFADHO O=C1CC[C@H]([NH2+]C2CCN(C[C@H]3CCOC3)CC2)c2ccccc2N1 ZINC000542470921 478654743 /nfs/dbraw/zinc/65/47/43/478654743.db2.gz LIHGJDOUDMUILG-BEFAXECRSA-N 1 3 343.471 2.551 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000528149631 478658902 /nfs/dbraw/zinc/65/89/02/478658902.db2.gz UJXPBMOBSRDSEU-QRQLOZEOSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000528149625 478659207 /nfs/dbraw/zinc/65/92/07/478659207.db2.gz UJXPBMOBSRDSEU-BHIYHBOVSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571916332 478707561 /nfs/dbraw/zinc/70/75/61/478707561.db2.gz WGAWMFFJGCZONY-VQIMIIECSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000571916332 478707571 /nfs/dbraw/zinc/70/75/71/478707571.db2.gz WGAWMFFJGCZONY-VQIMIIECSA-N 1 3 329.488 2.502 20 0 EFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000582903505 478715449 /nfs/dbraw/zinc/71/54/49/478715449.db2.gz DIEPUQIKPKASJR-KGLIPLIRSA-N 1 3 340.899 2.539 20 0 EFADHO COc1cc([C@H](C)NCc2cccc(OCC[NH+](C)C)c2)ccn1 ZINC000582914022 478718425 /nfs/dbraw/zinc/71/84/25/478718425.db2.gz BDHHCYSSBXILBF-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491880250 478722499 /nfs/dbraw/zinc/72/24/99/478722499.db2.gz CLWBXRGZQLECGZ-WVRJYTFGSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)/C=C\CN(C)C)cc2)C1 ZINC000491880250 478722506 /nfs/dbraw/zinc/72/25/06/478722506.db2.gz CLWBXRGZQLECGZ-WVRJYTFGSA-N 1 3 329.488 2.653 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)/C=C\CN(C)C)cc1 ZINC000491885193 478723591 /nfs/dbraw/zinc/72/35/91/478723591.db2.gz NXEOLBOCHWORJP-QLBOMPFWSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)/C=C\CN(C)C)cc1 ZINC000491885193 478723599 /nfs/dbraw/zinc/72/35/99/478723599.db2.gz NXEOLBOCHWORJP-QLBOMPFWSA-N 1 3 329.488 2.795 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)C1 ZINC000491893870 478727098 /nfs/dbraw/zinc/72/70/98/478727098.db2.gz PYBJXQULLYCXOS-HJPCAMOWSA-N 1 3 343.515 2.899 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1F ZINC000564375434 478731864 /nfs/dbraw/zinc/73/18/64/478731864.db2.gz AFBXWGGQTIMDJU-MRXNPFEDSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(F)c1F ZINC000564375434 478731873 /nfs/dbraw/zinc/73/18/73/478731873.db2.gz AFBXWGGQTIMDJU-MRXNPFEDSA-N 1 3 325.447 2.813 20 0 EFADHO CC(C)[N@H+](C)CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528373550 478741428 /nfs/dbraw/zinc/74/14/28/478741428.db2.gz TWMBSKGUACDWMI-LJQANCHMSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528373550 478741434 /nfs/dbraw/zinc/74/14/34/478741434.db2.gz TWMBSKGUACDWMI-LJQANCHMSA-N 1 3 335.536 2.972 20 0 EFADHO C[N@H+](C[C@@H](O)CNCCCOc1ccc2ccccc2c1)C1CC1 ZINC000583019737 478743838 /nfs/dbraw/zinc/74/38/38/478743838.db2.gz GPZPGXABYQDBNM-IBGZPJMESA-N 1 3 328.456 2.653 20 0 EFADHO C[N@@H+](C[C@@H](O)CNCCCOc1ccc2ccccc2c1)C1CC1 ZINC000583019737 478743844 /nfs/dbraw/zinc/74/38/44/478743844.db2.gz GPZPGXABYQDBNM-IBGZPJMESA-N 1 3 328.456 2.653 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c(OCCN(C)C)c1 ZINC000572124082 478759265 /nfs/dbraw/zinc/75/92/65/478759265.db2.gz HWESPFQYHNWMQE-HOTGVXAUSA-N 1 3 333.476 2.782 20 0 EFADHO Cc1ccc2sc(CN(C)CCC[NH+]3CCN(C)CC3)nc2c1 ZINC000528433814 478771941 /nfs/dbraw/zinc/77/19/41/478771941.db2.gz QYMOMMSGOSBREH-UHFFFAOYSA-N 1 3 332.517 2.674 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000499314686 478776227 /nfs/dbraw/zinc/77/62/27/478776227.db2.gz UYGOUTSFFRECJU-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)N(C)Cc2ccccc2)C1 ZINC000601338757 478792769 /nfs/dbraw/zinc/79/27/69/478792769.db2.gz ISVCUANZPHSGSI-HKUYNNGSSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000564733492 478798671 /nfs/dbraw/zinc/79/86/71/478798671.db2.gz UYWJACOEHHOYTG-GOSISDBHSA-N 1 3 332.492 2.580 20 0 EFADHO NCc1cn([C@@H]2CCC[N@H+](Cc3cccc(-c4ccncc4)c3)C2)nn1 ZINC000572344695 478811367 /nfs/dbraw/zinc/81/13/67/478811367.db2.gz LJHHUELCDBMJBU-HXUWFJFHSA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)nn1 ZINC000572344695 478811374 /nfs/dbraw/zinc/81/13/74/478811374.db2.gz LJHHUELCDBMJBU-HXUWFJFHSA-N 1 3 348.454 2.636 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000583298345 478813595 /nfs/dbraw/zinc/81/35/95/478813595.db2.gz YTIJWAXZISDYPK-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2CN(C)C)C1 ZINC000583298345 478813601 /nfs/dbraw/zinc/81/36/01/478813601.db2.gz YTIJWAXZISDYPK-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO [NH3+]Cc1ccc(CNCc2ccc(OC[C@@H]3CCCO3)cc2)cc1 ZINC000564798605 478814073 /nfs/dbraw/zinc/81/40/73/478814073.db2.gz LLRJGJNHWONYIC-FQEVSTJZSA-N 1 3 326.440 2.993 20 0 EFADHO Cc1c([C@@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000583316488 478819931 /nfs/dbraw/zinc/81/99/31/478819931.db2.gz KFVHLVXEBSEDQN-CYBMUJFWSA-N 1 3 329.423 2.675 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000503007098 478834407 /nfs/dbraw/zinc/83/44/07/478834407.db2.gz ZDNJYBAKPABHOP-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@@H]2C)C1 ZINC000503007098 478834417 /nfs/dbraw/zinc/83/44/17/478834417.db2.gz ZDNJYBAKPABHOP-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000564861453 478838276 /nfs/dbraw/zinc/83/82/76/478838276.db2.gz AHLNCYYRCRQPJJ-GOSISDBHSA-N 1 3 334.504 2.755 20 0 EFADHO [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000572495944 478853241 /nfs/dbraw/zinc/85/32/41/478853241.db2.gz SMDQGPYLQDIPKS-IBGZPJMESA-N 1 3 338.455 2.931 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000544637280 478854371 /nfs/dbraw/zinc/85/43/71/478854371.db2.gz CQFUOENUPIOPRK-MRXNPFEDSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000564909999 478856824 /nfs/dbraw/zinc/85/68/24/478856824.db2.gz RUQIQUXEAQIQKX-QFBILLFUSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CNCc2ccccc21 ZINC000564909999 478856832 /nfs/dbraw/zinc/85/68/32/478856832.db2.gz RUQIQUXEAQIQKX-QFBILLFUSA-N 1 3 329.488 2.644 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1C ZINC000505342859 478864036 /nfs/dbraw/zinc/86/40/36/478864036.db2.gz IHYMGAMGZPEGDY-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1ccccc1C ZINC000505342859 478864040 /nfs/dbraw/zinc/86/40/40/478864040.db2.gz IHYMGAMGZPEGDY-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)c(C)c1 ZINC000505342156 478864201 /nfs/dbraw/zinc/86/42/01/478864201.db2.gz FTHUKSFVCBRZRK-KRWDZBQOSA-N 1 3 335.467 2.622 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(F)c(C)c1 ZINC000505342156 478864206 /nfs/dbraw/zinc/86/42/06/478864206.db2.gz FTHUKSFVCBRZRK-KRWDZBQOSA-N 1 3 335.467 2.622 20 0 EFADHO N[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)c2ccccc21 ZINC000572593332 478875614 /nfs/dbraw/zinc/87/56/14/478875614.db2.gz IJHDZLDGKVEMAR-ZCPGHIKRSA-N 1 3 340.427 2.902 20 0 EFADHO C[C@H](CN1CCC(CCC[NH+](C)C)CC1)NC(=O)OC(C)(C)C ZINC000492257234 478895873 /nfs/dbraw/zinc/89/58/73/478895873.db2.gz IDVRXGUJHMDZHI-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000572731942 478908161 /nfs/dbraw/zinc/90/81/61/478908161.db2.gz JKAFWACHSJQKAG-NRFANRHFSA-N 1 3 345.531 2.946 20 0 EFADHO O=C(CC[NH2+]C1CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000572780111 478917772 /nfs/dbraw/zinc/91/77/72/478917772.db2.gz APQRJTSSWLFIDN-NRFANRHFSA-N 1 3 341.499 2.643 20 0 EFADHO O=C(CC[NH2+]C1CC1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000572780112 478918004 /nfs/dbraw/zinc/91/80/04/478918004.db2.gz APQRJTSSWLFIDN-OAQYLSRUSA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565179387 478938324 /nfs/dbraw/zinc/93/83/24/478938324.db2.gz HNVGPEZCBFSNMP-IBGZPJMESA-N 1 3 331.504 2.555 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565179387 478938329 /nfs/dbraw/zinc/93/83/29/478938329.db2.gz HNVGPEZCBFSNMP-IBGZPJMESA-N 1 3 331.504 2.555 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565179388 478939150 /nfs/dbraw/zinc/93/91/50/478939150.db2.gz HNVGPEZCBFSNMP-LJQANCHMSA-N 1 3 331.504 2.555 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565179388 478939154 /nfs/dbraw/zinc/93/91/54/478939154.db2.gz HNVGPEZCBFSNMP-LJQANCHMSA-N 1 3 331.504 2.555 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000565224430 478955849 /nfs/dbraw/zinc/95/58/49/478955849.db2.gz IKJXYJUROLYEOL-JKSUJKDBSA-N 1 3 336.476 2.895 20 0 EFADHO CCCOc1c(OC)cc(CC[NH2+][C@@H]2CCC[C@H](N)C2)cc1OC ZINC000565224430 478955856 /nfs/dbraw/zinc/95/58/56/478955856.db2.gz IKJXYJUROLYEOL-JKSUJKDBSA-N 1 3 336.476 2.895 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2ccccc2C(F)(F)F)C1 ZINC000565226641 478956674 /nfs/dbraw/zinc/95/66/74/478956674.db2.gz PQOXZIZYQXTMGK-CFVMTHIKSA-N 1 3 330.394 2.716 20 0 EFADHO CC[NH+]1CCC(CCNC(=O)Nc2ccc3c(c2)CNCC3)CC1 ZINC000583860106 478957965 /nfs/dbraw/zinc/95/79/65/478957965.db2.gz MSAOVLGWIIWPNH-UHFFFAOYSA-N 1 3 330.476 2.576 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](NC[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225918 478957977 /nfs/dbraw/zinc/95/79/77/478957977.db2.gz HCGWLOYETUKNNA-ZNMIVQPWSA-N 1 3 346.393 2.596 20 0 EFADHO N[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000565225918 478957984 /nfs/dbraw/zinc/95/79/84/478957984.db2.gz HCGWLOYETUKNNA-ZNMIVQPWSA-N 1 3 346.393 2.596 20 0 EFADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583870345 478960327 /nfs/dbraw/zinc/96/03/27/478960327.db2.gz LYBIRPCQVODTFZ-SNRMKQJTSA-N 1 3 343.515 2.574 20 0 EFADHO CC[NH+]1CCC(CNC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000573073755 478983595 /nfs/dbraw/zinc/98/35/95/478983595.db2.gz DABZARRLHZNIBG-IBGZPJMESA-N 1 3 346.519 2.841 20 0 EFADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000565358492 478986910 /nfs/dbraw/zinc/98/69/10/478986910.db2.gz DXRBWALBLAHFNK-WCQYABFASA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H](Cc1c(Cl)cccc1Cl)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000565358492 478986915 /nfs/dbraw/zinc/98/69/15/478986915.db2.gz DXRBWALBLAHFNK-WCQYABFASA-N 1 3 331.287 2.969 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512104673 478988230 /nfs/dbraw/zinc/98/82/30/478988230.db2.gz HOFQFKYRLQNOQS-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512104673 478988238 /nfs/dbraw/zinc/98/82/38/478988238.db2.gz HOFQFKYRLQNOQS-PKOBYXMFSA-N 1 3 346.519 2.538 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000573088785 478989538 /nfs/dbraw/zinc/98/95/38/478989538.db2.gz YIPFWYGRWORMRM-PMACEKPBSA-N 1 3 340.471 2.591 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)c1 ZINC000573110796 478994495 /nfs/dbraw/zinc/99/44/95/478994495.db2.gz FSNSGCADYCESRA-MRXNPFEDSA-N 1 3 338.879 2.605 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)C2CCN(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512546727 478999438 /nfs/dbraw/zinc/99/94/38/478999438.db2.gz XKKUNDUKJKCIDW-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512546727 478999444 /nfs/dbraw/zinc/99/94/44/478999444.db2.gz XKKUNDUKJKCIDW-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512550462 478999787 /nfs/dbraw/zinc/99/97/87/478999787.db2.gz ICBBMBBQVSUZQC-QXAKKESOSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512550462 478999798 /nfs/dbraw/zinc/99/97/98/478999798.db2.gz ICBBMBBQVSUZQC-QXAKKESOSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512550971 479000000 /nfs/dbraw/zinc/00/00/00/479000000.db2.gz PNEIVAYAMHNJNJ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512550971 479000011 /nfs/dbraw/zinc/00/00/11/479000011.db2.gz PNEIVAYAMHNJNJ-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@@H](N)C1CCC1)[NH2+][C@H](C)c1ccccc1 ZINC000514601266 479030957 /nfs/dbraw/zinc/03/09/57/479030957.db2.gz ZUHXECHDELAIQC-LZQZEXGQSA-N 1 3 331.504 2.996 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](CC4CC4)C3)CC2)CC1 ZINC000565550280 479033999 /nfs/dbraw/zinc/03/39/99/479033999.db2.gz QYPJZKVPSCZDEP-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000565557871 479035711 /nfs/dbraw/zinc/03/57/11/479035711.db2.gz SZKRJCQSZFGDTE-QFBILLFUSA-N 1 3 346.519 2.770 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000584171904 479040546 /nfs/dbraw/zinc/04/05/46/479040546.db2.gz LUNGUXRNJMOANP-HKUYNNGSSA-N 1 3 347.478 2.686 20 0 EFADHO CN(C[C@H](O)CNc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000514668834 479044573 /nfs/dbraw/zinc/04/45/73/479044573.db2.gz PAJXLMINHCYQRD-HXUWFJFHSA-N 1 3 331.504 2.582 20 0 EFADHO CN1CCN(CCCC[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000546632805 479045269 /nfs/dbraw/zinc/04/52/69/479045269.db2.gz MPGSSDCMETYSMK-UHFFFAOYSA-N 1 3 335.458 2.972 20 0 EFADHO Cc1c(-c2cc(CN3CCC(C[N@@H+](C)C(C)C)CC3)on2)cnn1C ZINC000546643884 479046661 /nfs/dbraw/zinc/04/66/61/479046661.db2.gz ZHPMRJOSNHBEOC-UHFFFAOYSA-N 1 3 345.491 2.936 20 0 EFADHO Cc1c(-c2cc(CN3CCC(C[N@H+](C)C(C)C)CC3)on2)cnn1C ZINC000546643884 479046666 /nfs/dbraw/zinc/04/66/66/479046666.db2.gz ZHPMRJOSNHBEOC-UHFFFAOYSA-N 1 3 345.491 2.936 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000584289575 479081990 /nfs/dbraw/zinc/08/19/90/479081990.db2.gz UBKLABJXPICLSH-HKUYNNGSSA-N 1 3 329.488 2.644 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000584289575 479081997 /nfs/dbraw/zinc/08/19/97/479081997.db2.gz UBKLABJXPICLSH-HKUYNNGSSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000584289416 479082174 /nfs/dbraw/zinc/08/21/74/479082174.db2.gz KEZYXZODBNPXGY-BHIYHBOVSA-N 1 3 329.488 2.574 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000514992047 479100745 /nfs/dbraw/zinc/10/07/45/479100745.db2.gz FHWLNEKMHKCXDH-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000514992047 479100748 /nfs/dbraw/zinc/10/07/48/479100748.db2.gz FHWLNEKMHKCXDH-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO COC(=O)CC1CCC([NH2+]Cc2cccc(OCCN(C)C)c2)CC1 ZINC000599026365 479131156 /nfs/dbraw/zinc/13/11/56/479131156.db2.gz WDMFDESUEACUDW-UHFFFAOYSA-N 1 3 348.487 2.839 20 0 EFADHO C[NH2+][C@@H](C)C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000573740285 479133536 /nfs/dbraw/zinc/13/35/36/479133536.db2.gz FVYBHZBUAUHRBP-KRWDZBQOSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000584463680 479143144 /nfs/dbraw/zinc/14/31/44/479143144.db2.gz GIHPGBXFDSYNTO-MOPGFXCFSA-N 1 3 340.471 2.575 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000515387076 479159633 /nfs/dbraw/zinc/15/96/33/479159633.db2.gz YYEGPAKZULWZKN-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1 ZINC000515387076 479159641 /nfs/dbraw/zinc/15/96/41/479159641.db2.gz YYEGPAKZULWZKN-ZHALLVOQSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000584529115 479166767 /nfs/dbraw/zinc/16/67/67/479166767.db2.gz QFDLRFFPTLYKRW-GOSISDBHSA-N 1 3 338.455 2.699 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000573902329 479169410 /nfs/dbraw/zinc/16/94/10/479169410.db2.gz AOBGABLQIYLBFG-PMACEKPBSA-N 1 3 340.471 2.591 20 0 EFADHO C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000573933588 479177961 /nfs/dbraw/zinc/17/79/61/479177961.db2.gz IHYGZOOPBRYXGE-QKLQHJQFSA-N 1 3 343.515 2.593 20 0 EFADHO CC[N@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000584584060 479186771 /nfs/dbraw/zinc/18/67/71/479186771.db2.gz UPLZIDHNTKFCRZ-OAHLLOKOSA-N 1 3 332.410 2.929 20 0 EFADHO CC[N@@H+](C)C[C@H](O)CNC(C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000584584060 479186783 /nfs/dbraw/zinc/18/67/83/479186783.db2.gz UPLZIDHNTKFCRZ-OAHLLOKOSA-N 1 3 332.410 2.929 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837056 479190578 /nfs/dbraw/zinc/19/05/78/479190578.db2.gz GORNLHVKWGRCRL-ZBFHGGJFSA-N 1 3 325.403 2.756 20 0 EFADHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000569837056 479190582 /nfs/dbraw/zinc/19/05/82/479190582.db2.gz GORNLHVKWGRCRL-ZBFHGGJFSA-N 1 3 325.403 2.756 20 0 EFADHO C[C@@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000529527748 479193343 /nfs/dbraw/zinc/19/33/43/479193343.db2.gz BWINVIOUASTUKD-OXQOHEQNSA-N 1 3 326.488 2.626 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC000529568071 479209470 /nfs/dbraw/zinc/20/94/70/479209470.db2.gz QFXAWCNATTZUMS-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO c1ccc([C@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000574071557 479209626 /nfs/dbraw/zinc/20/96/26/479209626.db2.gz YUOWMLBNUIQKAS-DLBZAZTESA-N 1 3 325.460 2.698 20 0 EFADHO c1ccc([C@@H]2CC[C@@H](NCc3nnc(C4CC[NH2+]CC4)[nH]3)C2)cc1 ZINC000574071559 479210518 /nfs/dbraw/zinc/21/05/18/479210518.db2.gz YUOWMLBNUIQKAS-IAGOWNOFSA-N 1 3 325.460 2.698 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000569943667 479215983 /nfs/dbraw/zinc/21/59/83/479215983.db2.gz BGZWCEOKUHLUEQ-UHFFFAOYSA-N 1 3 330.476 2.874 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CNC3)CC1 ZINC000569943667 479215989 /nfs/dbraw/zinc/21/59/89/479215989.db2.gz BGZWCEOKUHLUEQ-UHFFFAOYSA-N 1 3 330.476 2.874 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)N2CCCC2)cc1 ZINC000574179251 479236440 /nfs/dbraw/zinc/23/64/40/479236440.db2.gz DGXVQFKGOOQCAF-WDSOQIARSA-N 1 3 344.503 2.511 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000584835346 479257258 /nfs/dbraw/zinc/25/72/58/479257258.db2.gz VBTUIQXZHJHZSB-IEBWSBKVSA-N 1 3 334.504 2.843 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000557164552 479261702 /nfs/dbraw/zinc/26/17/02/479261702.db2.gz PGDWZBFIQVWFEV-LMMKCTJWSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000557220097 479267439 /nfs/dbraw/zinc/26/74/39/479267439.db2.gz ZZTGOVBWDHHDIF-UHFFFAOYSA-N 1 3 346.519 2.511 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN1CCC(C)(C)C1)c1ccsc1 ZINC000557525371 479285758 /nfs/dbraw/zinc/28/57/58/479285758.db2.gz STTSXURHKIVRRJ-MRXNPFEDSA-N 1 3 337.533 2.979 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000557566412 479289428 /nfs/dbraw/zinc/28/94/28/479289428.db2.gz RCMNHDVYCSZVIQ-SJORKVTESA-N 1 3 331.504 2.641 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000574515121 479301263 /nfs/dbraw/zinc/30/12/63/479301263.db2.gz SRPPETMNGMXQSB-FQEVSTJZSA-N 1 3 337.467 2.642 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CNCc3ccccc32)c1 ZINC000574515121 479301267 /nfs/dbraw/zinc/30/12/67/479301267.db2.gz SRPPETMNGMXQSB-FQEVSTJZSA-N 1 3 337.467 2.642 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630352 479319058 /nfs/dbraw/zinc/31/90/58/479319058.db2.gz VTYOXJMGLJCPNK-JOYOIKCWSA-N 1 3 336.789 2.883 20 0 EFADHO NC[C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630352 479319061 /nfs/dbraw/zinc/31/90/61/479319061.db2.gz VTYOXJMGLJCPNK-JOYOIKCWSA-N 1 3 336.789 2.883 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)CC1 ZINC000585768086 479323455 /nfs/dbraw/zinc/32/34/55/479323455.db2.gz BGGCOAWKMATVPZ-QFBILLFUSA-N 1 3 332.488 2.871 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000574757898 479343479 /nfs/dbraw/zinc/34/34/79/479343479.db2.gz YWZPSRUXUDDPDH-OAHLLOKOSA-N 1 3 341.421 2.708 20 0 EFADHO CC(C)CN(C(=O)C[C@@H]([NH3+])Cc1ccccc1)C1CCN(C)CC1 ZINC000574803450 479349632 /nfs/dbraw/zinc/34/96/32/479349632.db2.gz YUAXYQXIWFARJI-SFHVURJKSA-N 1 3 331.504 2.525 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000587176313 479370864 /nfs/dbraw/zinc/37/08/64/479370864.db2.gz PSKHCSRWXJIJOC-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000587176313 479370869 /nfs/dbraw/zinc/37/08/69/479370869.db2.gz PSKHCSRWXJIJOC-UHFFFAOYSA-N 1 3 346.519 2.553 20 0 EFADHO c1cnn(-c2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)c1 ZINC000603517428 479399169 /nfs/dbraw/zinc/39/91/69/479399169.db2.gz VOEXCAAYUSEYIL-HXUWFJFHSA-N 1 3 340.471 2.605 20 0 EFADHO CCOC(=O)c1ccc(C[NH2+]CC2CCN(c3ccncc3)CC2)[nH]1 ZINC000602582666 479409988 /nfs/dbraw/zinc/40/99/88/479409988.db2.gz RIWULKUUWGSSNG-UHFFFAOYSA-N 1 3 342.443 2.593 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000575157553 479413690 /nfs/dbraw/zinc/41/36/90/479413690.db2.gz PAKZKJZAPZACRT-MOPGFXCFSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000575177761 479416068 /nfs/dbraw/zinc/41/60/68/479416068.db2.gz WMOHCAJVJWIHPU-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000575177761 479416070 /nfs/dbraw/zinc/41/60/70/479416070.db2.gz WMOHCAJVJWIHPU-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000575223608 479422182 /nfs/dbraw/zinc/42/21/82/479422182.db2.gz ZJZMZBGLYAOGGN-SFHVURJKSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000575399139 479437768 /nfs/dbraw/zinc/43/77/68/479437768.db2.gz QSWUSEKRJOQMHU-TTZDDIAXSA-N 1 3 338.521 2.556 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000575399140 479438434 /nfs/dbraw/zinc/43/84/34/479438434.db2.gz QSWUSEKRJOQMHU-YXWQFLTLSA-N 1 3 338.521 2.556 20 0 EFADHO C[C@H]1CCCCN1CCOc1ccccc1C(=O)NCCC[NH+](C)C ZINC000604019080 479462277 /nfs/dbraw/zinc/46/22/77/479462277.db2.gz HYWLBGDRGKJOJD-KRWDZBQOSA-N 1 3 347.503 2.621 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000604184437 479481577 /nfs/dbraw/zinc/48/15/77/479481577.db2.gz VCXSVKOYECWLAX-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)[C@@H](C)CC)N(C)C)cc1 ZINC000589206124 479498486 /nfs/dbraw/zinc/49/84/86/479498486.db2.gz VHOGKMFXVQJWLM-QFBILLFUSA-N 1 3 348.535 2.881 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)NCC[N@H+](C)[C@@H](C)CC)N(C)C)cc1 ZINC000589206124 479498492 /nfs/dbraw/zinc/49/84/92/479498492.db2.gz VHOGKMFXVQJWLM-QFBILLFUSA-N 1 3 348.535 2.881 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602718255 479500559 /nfs/dbraw/zinc/50/05/59/479500559.db2.gz UKJHERBAUAHFOM-DWRORGKVSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602718255 479500570 /nfs/dbraw/zinc/50/05/70/479500570.db2.gz UKJHERBAUAHFOM-DWRORGKVSA-N 1 3 328.456 2.896 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000589214023 479501612 /nfs/dbraw/zinc/50/16/12/479501612.db2.gz LZFRNJOCZCOEGJ-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000589214023 479501618 /nfs/dbraw/zinc/50/16/18/479501618.db2.gz LZFRNJOCZCOEGJ-QZTJIDSGSA-N 1 3 336.524 2.521 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602719804 479503107 /nfs/dbraw/zinc/50/31/07/479503107.db2.gz UKJHERBAUAHFOM-VXNCWWDNSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602719804 479503111 /nfs/dbraw/zinc/50/31/11/479503111.db2.gz UKJHERBAUAHFOM-VXNCWWDNSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000602729186 479508869 /nfs/dbraw/zinc/50/88/69/479508869.db2.gz SVUPVBRLRIRACV-FUHWJXTLSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602729186 479508876 /nfs/dbraw/zinc/50/88/76/479508876.db2.gz SVUPVBRLRIRACV-FUHWJXTLSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602729186 479508880 /nfs/dbraw/zinc/50/88/80/479508880.db2.gz SVUPVBRLRIRACV-FUHWJXTLSA-N 1 3 332.488 2.933 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000576015118 479523193 /nfs/dbraw/zinc/52/31/93/479523193.db2.gz LUWKZWJNLXKKMM-IRXDYDNUSA-N 1 3 344.503 2.592 20 0 EFADHO CC[NH+]1CCC(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000576149227 479549967 /nfs/dbraw/zinc/54/99/67/479549967.db2.gz OTJBSXMCESKATL-GOSISDBHSA-N 1 3 334.504 2.798 20 0 EFADHO COc1cc(C)c(CN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1OC ZINC000576251376 479575931 /nfs/dbraw/zinc/57/59/31/479575931.db2.gz PNIFEMBQNNGBQA-FXAWDEMLSA-N 1 3 348.487 2.731 20 0 EFADHO COC(=O)c1ccc(CN2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000597133285 479589561 /nfs/dbraw/zinc/58/95/61/479589561.db2.gz QNELPGSPRDJVGF-MRXNPFEDSA-N 1 3 334.435 2.776 20 0 EFADHO CC(C)N1CCCN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC1 ZINC000590151539 479610924 /nfs/dbraw/zinc/61/09/24/479610924.db2.gz FIDOLTINMYGYKO-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000578865476 479621931 /nfs/dbraw/zinc/62/19/31/479621931.db2.gz QNTZSYUTALGCCX-BMFAXAFESA-N 1 3 346.519 2.807 20 0 EFADHO CSC1CCN(CCOCC[NH+]2CCC(SC)CC2)CC1 ZINC000602921870 479632044 /nfs/dbraw/zinc/63/20/44/479632044.db2.gz AYMMTXUBTHICFT-UHFFFAOYSA-N 1 3 332.579 2.658 20 0 EFADHO COC(=O)c1ccc(CNCC2CC[NH+](CC3CC3)CC2)cc1F ZINC000597248353 479642786 /nfs/dbraw/zinc/64/27/86/479642786.db2.gz RJAKPWNOYFUKRH-UHFFFAOYSA-N 1 3 334.435 2.824 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC4(C3)CCCC4)CC2)CC1 ZINC000579128472 479665492 /nfs/dbraw/zinc/66/54/92/479665492.db2.gz LZVGXGFPKPPALH-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)CC1 ZINC000579144047 479667230 /nfs/dbraw/zinc/66/72/30/479667230.db2.gz HNBUZQPHQYZJRV-UHFFFAOYSA-N 1 3 345.487 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615440081 479674058 /nfs/dbraw/zinc/67/40/58/479674058.db2.gz JIFVJSCRXYHNKP-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)ncn1 ZINC000579225603 479675300 /nfs/dbraw/zinc/67/53/00/479675300.db2.gz UNNAGRWQBCFPPR-ZSYWTGECSA-N 1 3 343.519 2.518 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCCC[C@H]1C ZINC000579329900 479686051 /nfs/dbraw/zinc/68/60/51/479686051.db2.gz AZKXEJDDWSOAGT-CABCVRRESA-N 1 3 330.476 2.717 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCCC[C@H]1C ZINC000579329900 479686053 /nfs/dbraw/zinc/68/60/53/479686053.db2.gz AZKXEJDDWSOAGT-CABCVRRESA-N 1 3 330.476 2.717 20 0 EFADHO C[C@@H]1C[C@@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000606447612 479687744 /nfs/dbraw/zinc/68/77/44/479687744.db2.gz PLDNJTGQOABGQN-XLIONFOSSA-N 1 3 339.483 2.870 20 0 EFADHO C[C@@H]1C[C@@H](N(C)Cc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000606447612 479687748 /nfs/dbraw/zinc/68/77/48/479687748.db2.gz PLDNJTGQOABGQN-XLIONFOSSA-N 1 3 339.483 2.870 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC000615600588 479703771 /nfs/dbraw/zinc/70/37/71/479703771.db2.gz DMMVCTBSUMPAJQ-AZUAARDMSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC000615600588 479703776 /nfs/dbraw/zinc/70/37/76/479703776.db2.gz DMMVCTBSUMPAJQ-AZUAARDMSA-N 1 3 333.520 2.728 20 0 EFADHO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000615618986 479715734 /nfs/dbraw/zinc/71/57/34/479715734.db2.gz KWOFVNBBJLHLKV-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(CN3CCCC3)c1)C2 ZINC000615618986 479715739 /nfs/dbraw/zinc/71/57/39/479715739.db2.gz KWOFVNBBJLHLKV-OAQYLSRUSA-N 1 3 341.499 2.840 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000606686157 479723593 /nfs/dbraw/zinc/72/35/93/479723593.db2.gz UWDBTIYLNRPXPE-IRXDYDNUSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@H](CNC(=O)N[C@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000606686156 479723682 /nfs/dbraw/zinc/72/36/82/479723682.db2.gz UWDBTIYLNRPXPE-IAGOWNOFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000606704489 479728249 /nfs/dbraw/zinc/72/82/49/479728249.db2.gz HNRYXBJOMDGQPY-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000606704489 479728256 /nfs/dbraw/zinc/72/82/56/479728256.db2.gz HNRYXBJOMDGQPY-MRXNPFEDSA-N 1 3 336.524 2.519 20 0 EFADHO CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621641474 479735101 /nfs/dbraw/zinc/73/51/01/479735101.db2.gz LAULLRAFPYUEEM-HKUYNNGSSA-N 1 3 331.504 2.748 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621641591 479735317 /nfs/dbraw/zinc/73/53/17/479735317.db2.gz OXZRKYXVFXBYNY-SFHVURJKSA-N 1 3 343.515 2.855 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000621641475 479735886 /nfs/dbraw/zinc/73/58/86/479735886.db2.gz LAULLRAFPYUEEM-IEBWSBKVSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000628108046 479765500 /nfs/dbraw/zinc/76/55/00/479765500.db2.gz XAKDPRQTQSCJTJ-YZGWKJHDSA-N 1 3 343.515 2.568 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000628108046 479765508 /nfs/dbraw/zinc/76/55/08/479765508.db2.gz XAKDPRQTQSCJTJ-YZGWKJHDSA-N 1 3 343.515 2.568 20 0 EFADHO CN(CCCC[NH+](C)C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000607036469 479770986 /nfs/dbraw/zinc/77/09/86/479770986.db2.gz OPLXRYXIWXOPFI-SFHVURJKSA-N 1 3 349.494 2.838 20 0 EFADHO C[C@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000621738118 479776778 /nfs/dbraw/zinc/77/67/78/479776778.db2.gz ZBOXXQUUCXLSHF-HKUYNNGSSA-N 1 3 332.488 2.612 20 0 EFADHO CCCN1CC[C@@H](NC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)C1 ZINC000633355854 479786051 /nfs/dbraw/zinc/78/60/51/479786051.db2.gz ANWOAGJCCVCUNX-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCN2C2CCCC2)CC1 ZINC000633370494 479794334 /nfs/dbraw/zinc/79/43/34/479794334.db2.gz DOPNZCBVPNGIBM-SFHVURJKSA-N 1 3 348.535 2.663 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000631056482 479863540 /nfs/dbraw/zinc/86/35/40/479863540.db2.gz OPMQYIWLNDMNMR-QGZVFWFLSA-N 1 3 331.504 2.984 20 0 EFADHO COc1cccc2c1OCCC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000631565673 480157698 /nfs/dbraw/zinc/15/76/98/480157698.db2.gz KHJBZJVNBCDSMR-GOSISDBHSA-N 1 3 347.503 2.525 20 0 EFADHO CC[C@@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(OC)c1OC ZINC000631585510 480168412 /nfs/dbraw/zinc/16/84/12/480168412.db2.gz RAGKIFIQKVHCTE-GOSISDBHSA-N 1 3 349.519 2.771 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000631721474 480237909 /nfs/dbraw/zinc/23/79/09/480237909.db2.gz YHQSZVVKMSYWKK-LQKXBSAESA-N 1 3 330.394 2.798 20 0 EFADHO c1cc(C[NH2+]C2CCN(CC3CC3)CC2)cc(N2CCSCC2)n1 ZINC000631723580 480239441 /nfs/dbraw/zinc/23/94/41/480239441.db2.gz RFWLLIZZJWZPJX-UHFFFAOYSA-N 1 3 346.544 2.599 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623356944 480249200 /nfs/dbraw/zinc/24/92/00/480249200.db2.gz PRQVKHSEHBBBHM-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CC1(C)CC(NC(=O)NC[C@H]2CCN2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000623393626 480263042 /nfs/dbraw/zinc/26/30/42/480263042.db2.gz LWVZEHOKWJYPLZ-MRXNPFEDSA-N 1 3 336.524 2.612 20 0 EFADHO CN(C)Cc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000620929800 480276860 /nfs/dbraw/zinc/27/68/60/480276860.db2.gz JXJQNVJJLPWBOC-UHFFFAOYSA-N 1 3 329.488 2.600 20 0 EFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCCN1C1CCCC1 ZINC000620933140 480278199 /nfs/dbraw/zinc/27/81/99/480278199.db2.gz OESUBZMDVDWRFJ-LJQANCHMSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCN1C1CCCC1 ZINC000620933139 480278416 /nfs/dbraw/zinc/27/84/16/480278416.db2.gz OESUBZMDVDWRFJ-IBGZPJMESA-N 1 3 333.520 2.632 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(C)c(Br)cn1 ZINC000623443274 480286250 /nfs/dbraw/zinc/28/62/50/480286250.db2.gz XLMXOWTXPYVSOH-AWEZNQCLSA-N 1 3 344.297 2.599 20 0 EFADHO c1c(C2CCN(C[C@H]3CCCCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000631829981 480289837 /nfs/dbraw/zinc/28/98/37/480289837.db2.gz GNESBMSLUWXCGP-QGZVFWFLSA-N 1 3 332.492 2.625 20 0 EFADHO Cc1ccc2ncc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2c1 ZINC000629532686 480296944 /nfs/dbraw/zinc/29/69/44/480296944.db2.gz MGWGYZKFYCXKEZ-QUCCMNQESA-N 1 3 325.456 2.871 20 0 EFADHO Clc1ccc([C@@H]2CC[C@H](NCc3cn([C@H]4CC[NH2+]C4)nn3)C2)cc1 ZINC000629548628 480301235 /nfs/dbraw/zinc/30/12/35/480301235.db2.gz HTAUVKLDVVBFJK-HFTRVMKXSA-N 1 3 345.878 2.892 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000634456491 480308380 /nfs/dbraw/zinc/30/83/80/480308380.db2.gz DQQLLDYTRKUTAB-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO O[C@@H](CNCCCc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629563022 480308858 /nfs/dbraw/zinc/30/88/58/480308858.db2.gz DGVQPFPIIDGWAD-HNNXBMFYSA-N 1 3 331.287 2.972 20 0 EFADHO O[C@H](CNCCCc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629563024 480308974 /nfs/dbraw/zinc/30/89/74/480308974.db2.gz DGVQPFPIIDGWAD-OAHLLOKOSA-N 1 3 331.287 2.972 20 0 EFADHO CC[C@H](C[NH2+]C[C@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629564995 480309625 /nfs/dbraw/zinc/30/96/25/480309625.db2.gz NUYFJOAQMDBTJP-LSDHHAIUSA-N 1 3 326.868 2.544 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC[C@@H](O)C[NH+]2CCCC2)N(C)C)cc1 ZINC000629581321 480315741 /nfs/dbraw/zinc/31/57/41/480315741.db2.gz WBKDKYRXCDOCTQ-RTWAWAEBSA-N 1 3 347.547 2.534 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000629648064 480342794 /nfs/dbraw/zinc/34/27/94/480342794.db2.gz GEPKKRIVUKBEIT-QUCCMNQESA-N 1 3 328.456 2.681 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)N(C)C)cc1 ZINC000623566160 480343006 /nfs/dbraw/zinc/34/30/06/480343006.db2.gz ISOUQNOJKFXFFV-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)N(C)C)cc1 ZINC000623566160 480343012 /nfs/dbraw/zinc/34/30/12/480343012.db2.gz ISOUQNOJKFXFFV-HKUYNNGSSA-N 1 3 346.519 2.629 20 0 EFADHO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(C(=O)CN)C2)c2ccccc21 ZINC000629656944 480346416 /nfs/dbraw/zinc/34/64/16/480346416.db2.gz XMLYXBJZNOESQL-SNRMKQJTSA-N 1 3 329.488 2.658 20 0 EFADHO COc1cc(CN(C)CCOCC[NH3+])c(-c2ccccc2)cc1OC ZINC000629661090 480348833 /nfs/dbraw/zinc/34/88/33/480348833.db2.gz ATPZXLQGXRVLPX-UHFFFAOYSA-N 1 3 344.455 2.778 20 0 EFADHO Cc1ccc(COc2ccc(CN(C)CCOCC[NH3+])cc2)cc1 ZINC000629665786 480349957 /nfs/dbraw/zinc/34/99/57/480349957.db2.gz PIBUMJIOVLBXQB-UHFFFAOYSA-N 1 3 328.456 2.981 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000621153142 480362000 /nfs/dbraw/zinc/36/20/00/480362000.db2.gz LKXVKQSTFGVMOR-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN[C@@H](C(C)C)C2)cc1 ZINC000621153142 480362003 /nfs/dbraw/zinc/36/20/03/480362003.db2.gz LKXVKQSTFGVMOR-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)CCOc1cccc(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000629700508 480362484 /nfs/dbraw/zinc/36/24/84/480362484.db2.gz LMBRDMJGWNGRET-UHFFFAOYSA-N 1 3 339.483 2.699 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623641173 480374651 /nfs/dbraw/zinc/37/46/51/480374651.db2.gz LRUYOZGHRXJWPS-QZTJIDSGSA-N 1 3 331.504 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623641173 480374655 /nfs/dbraw/zinc/37/46/55/480374655.db2.gz LRUYOZGHRXJWPS-QZTJIDSGSA-N 1 3 331.504 2.732 20 0 EFADHO CN(C)Cc1ccc(F)c(-c2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC000629736033 480376198 /nfs/dbraw/zinc/37/61/98/480376198.db2.gz AAHUIFVLXSPWAB-UHFFFAOYSA-N 1 3 327.447 2.960 20 0 EFADHO CN1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000623655659 480382638 /nfs/dbraw/zinc/38/26/38/480382638.db2.gz BDIQAOGMWNSTCO-AWEZNQCLSA-N 1 3 342.443 2.627 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000635454685 480389857 /nfs/dbraw/zinc/38/98/57/480389857.db2.gz ZXHGYVYJGFRCML-GOSISDBHSA-N 1 3 329.488 2.590 20 0 EFADHO C[C@H](C[NH2+]Cc1ccccc1CN1CCCC[C@@H]1C)S(C)(=O)=O ZINC000644522294 480411162 /nfs/dbraw/zinc/41/11/62/480411162.db2.gz JSKQCHPWPBPLOA-JKSUJKDBSA-N 1 3 338.517 2.584 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000634677895 480425788 /nfs/dbraw/zinc/42/57/88/480425788.db2.gz BPSRFNHZQMNWCN-FQEVSTJZSA-N 1 3 345.531 2.871 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545349 480429170 /nfs/dbraw/zinc/42/91/70/480429170.db2.gz JDFVEGZLXAIFLD-FCHUYYIVSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545349 480429174 /nfs/dbraw/zinc/42/91/74/480429174.db2.gz JDFVEGZLXAIFLD-FCHUYYIVSA-N 1 3 338.495 2.744 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Cc1ccccc1 ZINC000644545349 480429182 /nfs/dbraw/zinc/42/91/82/480429182.db2.gz JDFVEGZLXAIFLD-FCHUYYIVSA-N 1 3 338.495 2.744 20 0 EFADHO C[C@@H]1CC[C@H](CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)O1 ZINC000634688221 480431079 /nfs/dbraw/zinc/43/10/79/480431079.db2.gz LZQMDXNKMHCBQZ-RHSMWYFYSA-N 1 3 332.492 2.624 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(F)cc1 ZINC000640532862 480438689 /nfs/dbraw/zinc/43/86/89/480438689.db2.gz XLRQOMVREHTASP-GOSISDBHSA-N 1 3 338.467 2.763 20 0 EFADHO Cc1noc(C)c1[C@H](C)CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709183 480450641 /nfs/dbraw/zinc/45/06/41/480450641.db2.gz FMWFYHSHELWSBK-FOIQADDNSA-N 1 3 343.471 2.622 20 0 EFADHO Cc1noc(C)c1[C@H](C)CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709183 480450648 /nfs/dbraw/zinc/45/06/48/480450648.db2.gz FMWFYHSHELWSBK-FOIQADDNSA-N 1 3 343.471 2.622 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000644601508 480465193 /nfs/dbraw/zinc/46/51/93/480465193.db2.gz PCESARGVPPLZPC-MBPVOVBZSA-N 1 3 346.515 2.509 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000644601508 480465201 /nfs/dbraw/zinc/46/52/01/480465201.db2.gz PCESARGVPPLZPC-MBPVOVBZSA-N 1 3 346.515 2.509 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1Cl ZINC000635578306 480477031 /nfs/dbraw/zinc/47/70/31/480477031.db2.gz VAGZMNVMGNCFRP-UHFFFAOYSA-N 1 3 339.867 2.561 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H]1c1cccs1 ZINC000635604170 480498018 /nfs/dbraw/zinc/49/80/18/480498018.db2.gz UYYKNTOYKKSBJW-HOCLYGCPSA-N 1 3 335.517 2.589 20 0 EFADHO CO[C@@H]1CN[C@](C)(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000638064784 480505471 /nfs/dbraw/zinc/50/54/71/480505471.db2.gz WXUNHCGFGKJULE-ICSRJNTNSA-N 1 3 345.487 2.624 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000638064793 480506588 /nfs/dbraw/zinc/50/65/88/480506588.db2.gz XBDYRBVGBXXDRK-LJQANCHMSA-N 1 3 331.504 2.573 20 0 EFADHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1C(F)(F)F ZINC000623897339 480509874 /nfs/dbraw/zinc/50/98/74/480509874.db2.gz KPVHSYPYCZYNJM-LLVKDONJSA-N 1 3 334.357 2.952 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000638086477 480525048 /nfs/dbraw/zinc/52/50/48/480525048.db2.gz ZLWGWVYHVTZRNU-KRWDZBQOSA-N 1 3 337.533 2.840 20 0 EFADHO Cc1cc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cs1 ZINC000640640382 480537804 /nfs/dbraw/zinc/53/78/04/480537804.db2.gz KVGXWVYUVBCJBW-UHFFFAOYSA-N 1 3 336.505 2.737 20 0 EFADHO COc1cccc(C[C@H](N)C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000638126084 480553911 /nfs/dbraw/zinc/55/39/11/480553911.db2.gz PFSCHDNSTZBUTL-SFHVURJKSA-N 1 3 341.455 2.574 20 0 EFADHO CC[C@@H](C)[C@@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638152536 480569407 /nfs/dbraw/zinc/56/94/07/480569407.db2.gz LTQNJHWVWUOWQA-IEBWSBKVSA-N 1 3 325.541 2.538 20 0 EFADHO CC[C@@H](C)[C@H](CN1CCN(C2CC[NH+](C(C)C)CC2)CC1)OC ZINC000638152537 480569776 /nfs/dbraw/zinc/56/97/76/480569776.db2.gz LTQNJHWVWUOWQA-MJGOQNOKSA-N 1 3 325.541 2.538 20 0 EFADHO C([NH2+]C1CCN(C[C@H]2CCCO2)CC1)[C@@H]1CCN1C1CCCCC1 ZINC000624077804 480598108 /nfs/dbraw/zinc/59/81/08/480598108.db2.gz CMNQRWPHBHMAPO-VQTJNVASSA-N 1 3 335.536 2.626 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCCN(C)C2)c2ccccc2C1 ZINC000624122639 480620819 /nfs/dbraw/zinc/62/08/19/480620819.db2.gz XINDKTMJEGWTNU-XLIONFOSSA-N 1 3 329.488 2.801 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCCN(C)C2)c2ccccc2C1 ZINC000624122638 480621206 /nfs/dbraw/zinc/62/12/06/480621206.db2.gz XINDKTMJEGWTNU-PXNSSMCTSA-N 1 3 329.488 2.801 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000638288935 480645480 /nfs/dbraw/zinc/64/54/80/480645480.db2.gz GDPDHBCXOKPVLA-UHFFFAOYSA-N 1 3 337.467 2.884 20 0 EFADHO COc1cccc(C[C@H](N)C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC000638288842 480646153 /nfs/dbraw/zinc/64/61/53/480646153.db2.gz BVVMKQQMGCLERY-IBGZPJMESA-N 1 3 341.455 2.574 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638358695 480681963 /nfs/dbraw/zinc/68/19/63/480681963.db2.gz AHLSDQDKZJINLS-MSOLQXFVSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000638359352 480682629 /nfs/dbraw/zinc/68/26/29/480682629.db2.gz KKTSSVDHBJVJMN-UHFFFAOYSA-N 1 3 347.503 2.728 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2cc3ccccc3n2C)CC1 ZINC000638360687 480684054 /nfs/dbraw/zinc/68/40/54/480684054.db2.gz JVRKLYRQLJVYAF-UHFFFAOYSA-N 1 3 328.504 2.686 20 0 EFADHO COc1ccc2c(c1)C[C@H](NCC[C@H]([NH3+])Cc1ccccc1)CO2 ZINC000635007382 480684836 /nfs/dbraw/zinc/68/48/36/480684836.db2.gz OHIXFNCLSGOWKE-ROUUACIJSA-N 1 3 326.440 2.548 20 0 EFADHO COC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(Cl)cc1 ZINC000635008229 480684852 /nfs/dbraw/zinc/68/48/52/480684852.db2.gz IIJKQCBCURSINW-KRWDZBQOSA-N 1 3 346.862 2.944 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CCOC1 ZINC000638362750 480685218 /nfs/dbraw/zinc/68/52/18/480685218.db2.gz DUCWIQHTOFUWIT-FXAWDEMLSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CCOC1 ZINC000638362750 480685221 /nfs/dbraw/zinc/68/52/21/480685221.db2.gz DUCWIQHTOFUWIT-FXAWDEMLSA-N 1 3 332.488 2.956 20 0 EFADHO C[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1nc2ccccc2n1C ZINC000635007749 480685215 /nfs/dbraw/zinc/68/52/15/480685215.db2.gz GPXZJIPINCUPHV-AWEZNQCLSA-N 1 3 336.443 2.551 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCOC1 ZINC000638364232 480686942 /nfs/dbraw/zinc/68/69/42/480686942.db2.gz XUESGXYVUQYOAX-XLIONFOSSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@]1(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCOC1 ZINC000638364232 480686947 /nfs/dbraw/zinc/68/69/47/480686947.db2.gz XUESGXYVUQYOAX-XLIONFOSSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638366648 480687605 /nfs/dbraw/zinc/68/76/05/480687605.db2.gz JRTWZYKFZHNLBK-PXNSSMCTSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@]1(CNCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCOC1 ZINC000638366648 480687612 /nfs/dbraw/zinc/68/76/12/480687612.db2.gz JRTWZYKFZHNLBK-PXNSSMCTSA-N 1 3 332.488 2.956 20 0 EFADHO Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1Br ZINC000635012650 480688090 /nfs/dbraw/zinc/68/80/90/480688090.db2.gz NAAFTYWZCXLFTB-NJZAAPMLSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNCc2cc3c(cn2)OCCO3)C1 ZINC000638368535 480688985 /nfs/dbraw/zinc/68/89/85/480688985.db2.gz AEOGQOGCBMDKMN-HZPDHXFCSA-N 1 3 333.476 2.701 20 0 EFADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000635013826 480690271 /nfs/dbraw/zinc/69/02/71/480690271.db2.gz WLBUPLYZFHWWDV-MELADBBJSA-N 1 3 330.398 2.802 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]CCC3CCOCC3)cc2)CC1 ZINC000638373761 480691496 /nfs/dbraw/zinc/69/14/96/480691496.db2.gz JARZSPCQEBUBLT-UHFFFAOYSA-N 1 3 345.531 2.730 20 0 EFADHO CC(C)CC[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000638376425 480692811 /nfs/dbraw/zinc/69/28/11/480692811.db2.gz AQZAAFBBRSEMPI-LJQANCHMSA-N 1 3 346.519 2.910 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000638382281 480696832 /nfs/dbraw/zinc/69/68/32/480696832.db2.gz SNKPDRJQELYASE-UHFFFAOYSA-N 1 3 347.503 2.728 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638415448 480713433 /nfs/dbraw/zinc/71/34/33/480713433.db2.gz ZAZWYALALMWVRV-HMXCVIKNSA-N 1 3 346.515 2.978 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638415448 480713436 /nfs/dbraw/zinc/71/34/36/480713436.db2.gz ZAZWYALALMWVRV-HMXCVIKNSA-N 1 3 346.515 2.978 20 0 EFADHO CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@H]1CCN(C)C1 ZINC000645165365 480725159 /nfs/dbraw/zinc/72/51/59/480725159.db2.gz JQBUUKWHUGRXDS-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645165407 480725925 /nfs/dbraw/zinc/72/59/25/480725925.db2.gz LVMZVJCTHRRIIC-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCN(C)C1 ZINC000645165407 480725929 /nfs/dbraw/zinc/72/59/29/480725929.db2.gz LVMZVJCTHRRIIC-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]C[C@@H](OC)C3CC3)CC2)cc1 ZINC000638454065 480734306 /nfs/dbraw/zinc/73/43/06/480734306.db2.gz VYABQEKLCXAFRG-HXUWFJFHSA-N 1 3 332.488 2.922 20 0 EFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000638457487 480735122 /nfs/dbraw/zinc/73/51/22/480735122.db2.gz RXXAUVGOXBTURK-NVXWUHKLSA-N 1 3 349.544 2.997 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638483949 480746047 /nfs/dbraw/zinc/74/60/47/480746047.db2.gz ROWJRKNKIYIWER-QUCCMNQESA-N 1 3 331.504 2.522 20 0 EFADHO COCCN(C)CCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638483949 480746052 /nfs/dbraw/zinc/74/60/52/480746052.db2.gz ROWJRKNKIYIWER-QUCCMNQESA-N 1 3 331.504 2.522 20 0 EFADHO O[C@H](CN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)COCC1CC1 ZINC000638495927 480753373 /nfs/dbraw/zinc/75/33/73/480753373.db2.gz NWVHEXDIHALCCP-HMXCVIKNSA-N 1 3 344.499 2.732 20 0 EFADHO O[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)COCC1CC1 ZINC000638495927 480753377 /nfs/dbraw/zinc/75/33/77/480753377.db2.gz NWVHEXDIHALCCP-HMXCVIKNSA-N 1 3 344.499 2.732 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000638503579 480756295 /nfs/dbraw/zinc/75/62/95/480756295.db2.gz SEKCXQQTLQFTLP-WBVHZDCISA-N 1 3 338.517 2.627 20 0 EFADHO CO[C@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000638522021 480763778 /nfs/dbraw/zinc/76/37/78/480763778.db2.gz UVTLFDVQFPZAIQ-PZJWPPBQSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522021 480763784 /nfs/dbraw/zinc/76/37/84/480763784.db2.gz UVTLFDVQFPZAIQ-PZJWPPBQSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522021 480763788 /nfs/dbraw/zinc/76/37/88/480763788.db2.gz UVTLFDVQFPZAIQ-PZJWPPBQSA-N 1 3 346.515 2.582 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCOC[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638522353 480764039 /nfs/dbraw/zinc/76/40/39/480764039.db2.gz PKMSAAIHQKXNPH-CUWPLCDZSA-N 1 3 344.499 2.997 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCOC[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638522353 480764042 /nfs/dbraw/zinc/76/40/42/480764042.db2.gz PKMSAAIHQKXNPH-CUWPLCDZSA-N 1 3 344.499 2.997 20 0 EFADHO CC(C)O[C@H](C[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000638588423 480789407 /nfs/dbraw/zinc/78/94/07/480789407.db2.gz LOFLFKRDSPIKQU-TZIWHRDSSA-N 1 3 345.531 2.911 20 0 EFADHO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCN1C1CCCC1 ZINC000635254362 480792138 /nfs/dbraw/zinc/79/21/38/480792138.db2.gz UWWSWBNXYFPKEH-FQEVSTJZSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCN1C1CCCC1 ZINC000635254362 480792144 /nfs/dbraw/zinc/79/21/44/480792144.db2.gz UWWSWBNXYFPKEH-FQEVSTJZSA-N 1 3 341.499 2.568 20 0 EFADHO CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CCN(C)C1 ZINC000645336412 480799677 /nfs/dbraw/zinc/79/96/77/480799677.db2.gz BXYHIZRUSQCAQU-KRWDZBQOSA-N 1 3 326.529 2.621 20 0 EFADHO CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000627619093 480801937 /nfs/dbraw/zinc/80/19/37/480801937.db2.gz SNIKTFLRZHLDOR-UHFFFAOYSA-N 1 3 338.455 2.803 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000627619534 480804246 /nfs/dbraw/zinc/80/42/46/480804246.db2.gz LWXQBIJTGGKHIK-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000627619534 480804249 /nfs/dbraw/zinc/80/42/49/480804249.db2.gz LWXQBIJTGGKHIK-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO Cn1c(C[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc2ccccc21 ZINC000638669618 480821765 /nfs/dbraw/zinc/82/17/65/480821765.db2.gz UKBZXFNMPXOVFU-MRXNPFEDSA-N 1 3 327.472 2.769 20 0 EFADHO C[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1Cl ZINC000638689298 480830903 /nfs/dbraw/zinc/83/09/03/480830903.db2.gz KMAROSIESMBQQJ-AWEZNQCLSA-N 1 3 340.895 2.932 20 0 EFADHO OC1CCN(Cc2ccccc2C[NH2+]CC2CCSCC2)CC1 ZINC000638721152 480841254 /nfs/dbraw/zinc/84/12/54/480841254.db2.gz XYCIHQQQCLBCEN-UHFFFAOYSA-N 1 3 334.529 2.876 20 0 EFADHO C[C@H](CC[NH2+]C1CCN(CC(C)(C)O)CC1)N(C)Cc1ccccc1 ZINC000638723220 480842444 /nfs/dbraw/zinc/84/24/44/480842444.db2.gz FXXRRGBKMHDNNQ-GOSISDBHSA-N 1 3 347.547 2.722 20 0 EFADHO CO[C@@H](CNCC[C@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723612 480842832 /nfs/dbraw/zinc/84/28/32/480842832.db2.gz QOIZGVBRNCFHEX-PXNSSMCTSA-N 1 3 334.504 2.928 20 0 EFADHO CO[C@@H](CNCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723612 480842835 /nfs/dbraw/zinc/84/28/35/480842835.db2.gz QOIZGVBRNCFHEX-PXNSSMCTSA-N 1 3 334.504 2.928 20 0 EFADHO CO[C@H](CNCC[C@@H](C)[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723614 480843157 /nfs/dbraw/zinc/84/31/57/480843157.db2.gz QOIZGVBRNCFHEX-YLJYHZDGSA-N 1 3 334.504 2.928 20 0 EFADHO CO[C@H](CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638723614 480843162 /nfs/dbraw/zinc/84/31/62/480843162.db2.gz QOIZGVBRNCFHEX-YLJYHZDGSA-N 1 3 334.504 2.928 20 0 EFADHO CN(Cc1ccccc1)C1(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000633010797 480846251 /nfs/dbraw/zinc/84/62/51/480846251.db2.gz ZYWGRQZXOXSLNL-ROUUACIJSA-N 1 3 344.503 2.610 20 0 EFADHO C[C@H](CC(N)=O)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638760340 480855126 /nfs/dbraw/zinc/85/51/26/480855126.db2.gz OMPLUUXZFSUKEV-UZLBHIALSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](CC(N)=O)NC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638760340 480855130 /nfs/dbraw/zinc/85/51/30/480855130.db2.gz OMPLUUXZFSUKEV-UZLBHIALSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](CC(N)=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638760340 480855134 /nfs/dbraw/zinc/85/51/34/480855134.db2.gz OMPLUUXZFSUKEV-UZLBHIALSA-N 1 3 331.504 2.778 20 0 EFADHO CC(C)[C@H](N)c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179931 480857983 /nfs/dbraw/zinc/85/79/83/480857983.db2.gz WYXXGZDHWXWBKU-IBGZPJMESA-N 1 3 327.476 2.968 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000641180943 480858138 /nfs/dbraw/zinc/85/81/38/480858138.db2.gz IWBUKVHHOOSXEU-NEWSRXKRSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000641226593 480875222 /nfs/dbraw/zinc/87/52/22/480875222.db2.gz CYFMRDWHWIHNIG-QRQLOZEOSA-N 1 3 344.503 2.562 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000633092738 480878978 /nfs/dbraw/zinc/87/89/78/480878978.db2.gz LQHYIDXLFIWZSK-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]C[C@@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC000638809610 480879252 /nfs/dbraw/zinc/87/92/52/480879252.db2.gz SWYUHXOGGUMRKM-SFTDATJTSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638809610 480879254 /nfs/dbraw/zinc/87/92/54/480879254.db2.gz SWYUHXOGGUMRKM-SFTDATJTSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638809610 480879257 /nfs/dbraw/zinc/87/92/57/480879257.db2.gz SWYUHXOGGUMRKM-SFTDATJTSA-N 1 3 346.515 2.666 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000633098867 480881238 /nfs/dbraw/zinc/88/12/38/480881238.db2.gz GLCZNPHMGUNQBL-IRXDYDNUSA-N 1 3 348.535 2.662 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000633109577 480884005 /nfs/dbraw/zinc/88/40/05/480884005.db2.gz PBZKYTJCBNQMMG-SJLPKXTDSA-N 1 3 348.535 2.519 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000633109574 480884078 /nfs/dbraw/zinc/88/40/78/480884078.db2.gz PBZKYTJCBNQMMG-FUHWJXTLSA-N 1 3 348.535 2.519 20 0 EFADHO CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638837131 480890203 /nfs/dbraw/zinc/89/02/03/480890203.db2.gz OSGLUGJPUFUYGU-RDTXWAMCSA-N 1 3 338.467 2.727 20 0 EFADHO COc1cc(C[C@H](C)[NH2+]CC2CCN(c3ccncc3)CC2)ccn1 ZINC000638837610 480890387 /nfs/dbraw/zinc/89/03/87/480890387.db2.gz VMPCIGTVFNTMIC-INIZCTEOSA-N 1 3 340.471 2.922 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836203 480890560 /nfs/dbraw/zinc/89/05/60/480890560.db2.gz RMJMONATWPCMQY-IERDGZPVSA-N 1 3 349.478 2.788 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)c1ccc2c(c1)CNC2 ZINC000638836203 480890562 /nfs/dbraw/zinc/89/05/62/480890562.db2.gz RMJMONATWPCMQY-IERDGZPVSA-N 1 3 349.478 2.788 20 0 EFADHO CO[C@H](c1ccc(F)cc1)[C@@H](C)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638837129 480890595 /nfs/dbraw/zinc/89/05/95/480890595.db2.gz OSGLUGJPUFUYGU-KDOFPFPSSA-N 1 3 338.467 2.727 20 0 EFADHO CC(C)(C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H](N)c1ccccc1 ZINC000638845717 480893865 /nfs/dbraw/zinc/89/38/65/480893865.db2.gz JBYWZGRKFNFKBG-LJQANCHMSA-N 1 3 337.467 2.675 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[NH+]2CCC(C)CC2)CCOC1 ZINC000638854114 480898000 /nfs/dbraw/zinc/89/80/00/480898000.db2.gz PGWXRHOIQHVIPN-HXUWFJFHSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H](N)c1ccccc1 ZINC000638858703 480900151 /nfs/dbraw/zinc/90/01/51/480900151.db2.gz BEOGXCLOLHQAQE-SJLPKXTDSA-N 1 3 329.488 2.799 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000638862034 480901794 /nfs/dbraw/zinc/90/17/94/480901794.db2.gz KFGGAQPJCBOQIN-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCN3CCSCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638866641 480903226 /nfs/dbraw/zinc/90/32/26/480903226.db2.gz LRFSNERZCUTAIJ-ICSRJNTNSA-N 1 3 345.556 2.993 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCN3CCSCC3)CC[N@H+]2C2CC2)cc1 ZINC000638866641 480903229 /nfs/dbraw/zinc/90/32/29/480903229.db2.gz LRFSNERZCUTAIJ-ICSRJNTNSA-N 1 3 345.556 2.993 20 0 EFADHO Cc1ccc(CC[NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000638872620 480904138 /nfs/dbraw/zinc/90/41/38/480904138.db2.gz JPRFWNRPRHVOTP-UHFFFAOYSA-N 1 3 339.483 2.619 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)cc1 ZINC000639006330 480928957 /nfs/dbraw/zinc/92/89/57/480928957.db2.gz VVTZUEAIDLLJGD-YLJYHZDGSA-N 1 3 343.515 2.711 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000639005871 480928982 /nfs/dbraw/zinc/92/89/82/480928982.db2.gz PTKMHYISKSBGNF-NXEWRWPSSA-N 1 3 341.499 2.606 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000639005888 480929227 /nfs/dbraw/zinc/92/92/27/480929227.db2.gz QMWCBCQLSAZWRY-IHPCNDPISA-N 1 3 343.515 2.711 20 0 EFADHO CC1(C)CN[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645793865 480932299 /nfs/dbraw/zinc/93/22/99/480932299.db2.gz BEZFTWQDAZMQGI-SFHVURJKSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000647474816 480955292 /nfs/dbraw/zinc/95/52/92/480955292.db2.gz LCZCXPUCNFZVSM-CVEARBPZSA-N 1 3 348.491 2.799 20 0 EFADHO CO[C@@]1(CO)CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000661389647 480979866 /nfs/dbraw/zinc/97/98/66/480979866.db2.gz MIYXAEVKXHPJFN-FQEVSTJZSA-N 1 3 332.488 2.646 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000639136711 480980710 /nfs/dbraw/zinc/98/07/10/480980710.db2.gz OWNIHMOUZWCBOJ-SJORKVTESA-N 1 3 337.552 2.728 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1(C)C ZINC000639136708 480980971 /nfs/dbraw/zinc/98/09/71/480980971.db2.gz OWNIHMOUZWCBOJ-DLBZAZTESA-N 1 3 337.552 2.728 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543046 480990160 /nfs/dbraw/zinc/99/01/60/480990160.db2.gz GXVOBSASGXPAFJ-OALUTQOASA-N 1 3 328.504 2.893 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc2n1 ZINC000647543505 480993752 /nfs/dbraw/zinc/99/37/52/480993752.db2.gz OLOASCPNMVRFKA-DLBZAZTESA-N 1 3 327.476 2.558 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)O[C@@H](C)C2 ZINC000647546188 480995209 /nfs/dbraw/zinc/99/52/09/480995209.db2.gz DETLIURFGXYUEI-JYJNAYRXSA-N 1 3 330.472 2.840 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666658626 481013552 /nfs/dbraw/zinc/01/35/52/481013552.db2.gz JQJBJRRTRZLEIK-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666658626 481013563 /nfs/dbraw/zinc/01/35/63/481013563.db2.gz JQJBJRRTRZLEIK-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CN(CCN1CCCCC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000652988996 481013830 /nfs/dbraw/zinc/01/38/30/481013830.db2.gz RNTLUKBRGIORCX-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659911 481015615 /nfs/dbraw/zinc/01/56/15/481015615.db2.gz FVQCUNNXHMNGRJ-IAGOWNOFSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000666659911 481015619 /nfs/dbraw/zinc/01/56/19/481015619.db2.gz FVQCUNNXHMNGRJ-IAGOWNOFSA-N 1 3 348.535 2.519 20 0 EFADHO CN(CC[N@H+](C)C1CCN(C)CC1)CC(C)(C)Oc1ccccc1 ZINC000639170806 481015928 /nfs/dbraw/zinc/01/59/28/481015928.db2.gz ZEIQPGCSOSGFNY-UHFFFAOYSA-N 1 3 333.520 2.802 20 0 EFADHO CN(CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)Oc1ccccc1 ZINC000639170806 481015935 /nfs/dbraw/zinc/01/59/35/481015935.db2.gz ZEIQPGCSOSGFNY-UHFFFAOYSA-N 1 3 333.520 2.802 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000646012058 481021943 /nfs/dbraw/zinc/02/19/43/481021943.db2.gz FNKGNKLRQSQDGX-GOSISDBHSA-N 1 3 342.487 2.594 20 0 EFADHO CCn1cc(CNC2CC[NH+](CCOC)CC2)c(-c2ccccc2)n1 ZINC000641710615 481026087 /nfs/dbraw/zinc/02/60/87/481026087.db2.gz ZUVPAMZVEPIBLT-UHFFFAOYSA-N 1 3 342.487 2.770 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000669279436 481031202 /nfs/dbraw/zinc/03/12/02/481031202.db2.gz IYCVBQSTMVVUNY-HZPDHXFCSA-N 1 3 338.521 2.572 20 0 EFADHO O=C(c1cccn1C1CC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000646046407 481037580 /nfs/dbraw/zinc/03/75/80/481037580.db2.gz YRBRRURPPVYHKU-UHFFFAOYSA-N 1 3 344.503 2.503 20 0 EFADHO C[C@@H](CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000664145002 481048606 /nfs/dbraw/zinc/04/86/06/481048606.db2.gz DPDPZXFNDUHEFP-IRXDYDNUSA-N 1 3 346.519 2.851 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669323302 481053387 /nfs/dbraw/zinc/05/33/87/481053387.db2.gz KNERBPSCCHEDEP-NZSAHSFTSA-N 1 3 344.503 2.592 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653107868 481082751 /nfs/dbraw/zinc/08/27/51/481082751.db2.gz AAWJARYHRWIOJG-VQTJNVASSA-N 1 3 341.499 2.606 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000653106880 481082821 /nfs/dbraw/zinc/08/28/21/481082821.db2.gz OYFFRFPLPZMBQH-KRWDZBQOSA-N 1 3 329.488 2.678 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653106870 481083035 /nfs/dbraw/zinc/08/30/35/481083035.db2.gz OTTZOZVMPCWZTC-WOJBJXKFSA-N 1 3 341.499 2.819 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000653108251 481083376 /nfs/dbraw/zinc/08/33/76/481083376.db2.gz OXOICWNVKZYACE-PKOBYXMFSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000653109935 481085242 /nfs/dbraw/zinc/08/52/42/481085242.db2.gz RZEKZRUCQCDRTR-OALUTQOASA-N 1 3 329.488 2.720 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000666759632 481086377 /nfs/dbraw/zinc/08/63/77/481086377.db2.gz HEOYXHNSCVQTDX-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000666759632 481086380 /nfs/dbraw/zinc/08/63/80/481086380.db2.gz HEOYXHNSCVQTDX-MSOLQXFVSA-N 1 3 338.540 2.623 20 0 EFADHO O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653113453 481087448 /nfs/dbraw/zinc/08/74/48/481087448.db2.gz CFMKNZBHPNOIAK-ROUUACIJSA-N 1 3 347.528 2.607 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCCCC2 ZINC000650424223 481088001 /nfs/dbraw/zinc/08/80/01/481088001.db2.gz VALXTZNUYFVYNT-UHFFFAOYSA-N 1 3 346.519 2.913 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653113816 481088450 /nfs/dbraw/zinc/08/84/50/481088450.db2.gz ONSRWJOAMIISNB-BMGDILEWSA-N 1 3 347.528 2.607 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653117750 481090230 /nfs/dbraw/zinc/09/02/30/481090230.db2.gz VBFAADGZZSPPPM-AEFFLSMTSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653119229 481090356 /nfs/dbraw/zinc/09/03/56/481090356.db2.gz BVQQWTNRZWWJRR-MISYRCLQSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653117442 481090594 /nfs/dbraw/zinc/09/05/94/481090594.db2.gz LYDJPOMUWSCWMW-YSGRDPCXSA-N 1 3 341.499 2.859 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@H]1c1cccs1 ZINC000653121924 481093407 /nfs/dbraw/zinc/09/34/07/481093407.db2.gz GWIHKXRDHCYACP-CVYDXHPNSA-N 1 3 347.528 2.778 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000646105857 481093790 /nfs/dbraw/zinc/09/37/90/481093790.db2.gz JXNRLTYPWIRANS-HXUWFJFHSA-N 1 3 335.451 2.636 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000646105857 481093799 /nfs/dbraw/zinc/09/37/99/481093799.db2.gz JXNRLTYPWIRANS-HXUWFJFHSA-N 1 3 335.451 2.636 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000646105878 481094025 /nfs/dbraw/zinc/09/40/25/481094025.db2.gz KLUVYFFCJAMCNB-HBFSDRIKSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H](CC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646105964 481094134 /nfs/dbraw/zinc/09/41/34/481094134.db2.gz NMGPXELWGZLQDW-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000669405641 481099704 /nfs/dbraw/zinc/09/97/04/481099704.db2.gz ADXPGSGUBYYNGJ-PSBWJHGTSA-N 1 3 344.503 2.591 20 0 EFADHO c1cn(CCCc2ccccc2)c(CN[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647788774 481106328 /nfs/dbraw/zinc/10/63/28/481106328.db2.gz QQAGANBOSKCVNF-HSALFYBXSA-N 1 3 338.499 2.994 20 0 EFADHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(C)C ZINC000646129511 481106316 /nfs/dbraw/zinc/10/63/16/481106316.db2.gz KZLPPKCQXANAKZ-RTBURBONSA-N 1 3 331.504 2.730 20 0 EFADHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC(C)C ZINC000646129511 481106322 /nfs/dbraw/zinc/10/63/22/481106322.db2.gz KZLPPKCQXANAKZ-RTBURBONSA-N 1 3 331.504 2.730 20 0 EFADHO OCC1CCN(Cc2cccc(N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000647791205 481107822 /nfs/dbraw/zinc/10/78/22/481107822.db2.gz AQPQBDOTBQCRAQ-IRFCIJBXSA-N 1 3 343.515 2.691 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420474 481109637 /nfs/dbraw/zinc/10/96/37/481109637.db2.gz MSFZPCYMDBHLQB-GOSISDBHSA-N 1 3 346.519 2.715 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1 ZINC000646138146 481115602 /nfs/dbraw/zinc/11/56/02/481115602.db2.gz CWWGCVPVOKWNMG-QZTJIDSGSA-N 1 3 345.874 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[NH2+]2)N2CCCC2)cc1 ZINC000669427437 481117383 /nfs/dbraw/zinc/11/73/83/481117383.db2.gz CEWVLWXNTXJIGE-RTBURBONSA-N 1 3 344.503 2.573 20 0 EFADHO Clc1ccc(C[N@H+](C2CC2)C2CCNCC2)c(-n2cncn2)c1 ZINC000647815463 481122996 /nfs/dbraw/zinc/12/29/96/481122996.db2.gz GJTBZHCALVVJND-UHFFFAOYSA-N 1 3 331.851 2.637 20 0 EFADHO Clc1ccc(C[N@@H+](C2CC2)C2CCNCC2)c(-n2cncn2)c1 ZINC000647815463 481122998 /nfs/dbraw/zinc/12/29/98/481122998.db2.gz GJTBZHCALVVJND-UHFFFAOYSA-N 1 3 331.851 2.637 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH+]2CCC(N3CC[C@@H](O)C3)CC2)cc1C ZINC000639331704 481133598 /nfs/dbraw/zinc/13/35/98/481133598.db2.gz XZOROFXOHMPPPR-SJLPKXTDSA-N 1 3 332.488 2.904 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000669479682 481147364 /nfs/dbraw/zinc/14/73/64/481147364.db2.gz IWXGPXKPEQYZIY-DOTOQJQBSA-N 1 3 332.492 2.557 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CCC[NH2+]CC1 ZINC000666857648 481151853 /nfs/dbraw/zinc/15/18/53/481151853.db2.gz COKPFSCRDHMEPD-JSGCOSHPSA-N 1 3 339.867 2.797 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669486877 481154489 /nfs/dbraw/zinc/15/44/89/481154489.db2.gz IJQPGFIJPUAWQR-SJLPKXTDSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669486876 481154566 /nfs/dbraw/zinc/15/45/66/481154566.db2.gz IJQPGFIJPUAWQR-FUHWJXTLSA-N 1 3 344.503 2.653 20 0 EFADHO CC(C)(CNCC(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000646215732 481161299 /nfs/dbraw/zinc/16/12/99/481161299.db2.gz RFGPOOUNFPWXCQ-UHFFFAOYSA-N 1 3 331.504 2.546 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659019188 481164463 /nfs/dbraw/zinc/16/44/63/481164463.db2.gz WQSMKHVWUKMVRJ-AWEZNQCLSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000659019188 481164471 /nfs/dbraw/zinc/16/44/71/481164471.db2.gz WQSMKHVWUKMVRJ-AWEZNQCLSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3)CC2)[C@H]1CC[NH3+] ZINC000653239631 481173154 /nfs/dbraw/zinc/17/31/54/481173154.db2.gz CPOMGUVUFZBPJM-PXNSSMCTSA-N 1 3 343.515 2.875 20 0 EFADHO COCC1(CNCc2c(Cl)ccc3cccnc32)CC[NH2+]CC1 ZINC000666894751 481173996 /nfs/dbraw/zinc/17/39/96/481173996.db2.gz HMHBOVISDGTLNM-UHFFFAOYSA-N 1 3 333.863 2.994 20 0 EFADHO N[C@@H](CC(F)F)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253299 481180852 /nfs/dbraw/zinc/18/08/52/481180852.db2.gz ODYGNDPLVVHTRS-AWEZNQCLSA-N 1 3 343.443 2.796 20 0 EFADHO O=C(CNCC1CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000653253541 481181040 /nfs/dbraw/zinc/18/10/40/481181040.db2.gz XFTDRVVZNFDHAO-UHFFFAOYSA-N 1 3 333.501 2.813 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000666928541 481199846 /nfs/dbraw/zinc/19/98/46/481199846.db2.gz NRRPVFFHECIKRY-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCN(CCC)C2)CC1 ZINC000666928541 481199852 /nfs/dbraw/zinc/19/98/52/481199852.db2.gz NRRPVFFHECIKRY-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc3c(c2)CNC3)cc1 ZINC000646279020 481200781 /nfs/dbraw/zinc/20/07/81/481200781.db2.gz UEFRYLRDIXEILZ-UHFFFAOYSA-N 1 3 339.439 2.873 20 0 EFADHO COc1ccc(Br)cc1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950788 481214709 /nfs/dbraw/zinc/21/47/09/481214709.db2.gz HVMRHPQCSMRDBD-CQSZACIVSA-N 1 3 325.250 2.689 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C[C@H](C)O1 ZINC000647966225 481217730 /nfs/dbraw/zinc/21/77/30/481217730.db2.gz GSWNHDIBVFXXFP-KVPLUYHFSA-N 1 3 338.536 2.749 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965617 481217856 /nfs/dbraw/zinc/21/78/56/481217856.db2.gz CNTYEHSPMVTWIY-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965617 481217859 /nfs/dbraw/zinc/21/78/59/481217859.db2.gz CNTYEHSPMVTWIY-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965617 481217863 /nfs/dbraw/zinc/21/78/63/481217863.db2.gz CNTYEHSPMVTWIY-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647965617 481217865 /nfs/dbraw/zinc/21/78/65/481217865.db2.gz CNTYEHSPMVTWIY-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647974930 481224751 /nfs/dbraw/zinc/22/47/51/481224751.db2.gz CDFDDZQROZAGBQ-MSOLQXFVSA-N 1 3 329.488 2.751 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC[C@@H]1[NH3+] ZINC000669583451 481224916 /nfs/dbraw/zinc/22/49/16/481224916.db2.gz CZIRTJYHQHGWHQ-FPAYPSAMSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647974905 481225553 /nfs/dbraw/zinc/22/55/53/481225553.db2.gz AXJJEHJHZQHCMS-QZTJIDSGSA-N 1 3 329.488 2.954 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975778 481228205 /nfs/dbraw/zinc/22/82/05/481228205.db2.gz FTWXZDHZBOPPNJ-NUJGCVRESA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976790 481230193 /nfs/dbraw/zinc/23/01/93/481230193.db2.gz UKCYDIDGHXKYIJ-YZGWKJHDSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976195 481230251 /nfs/dbraw/zinc/23/02/51/481230251.db2.gz LHOKLYRYHDJNHF-SXLOBPIMSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000647976599 481230703 /nfs/dbraw/zinc/23/07/03/481230703.db2.gz QRLXIWMIDWKFRT-JQHSSLGASA-N 1 3 347.478 2.715 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976465 481230789 /nfs/dbraw/zinc/23/07/89/481230789.db2.gz OVPTYXIMBIMVOW-APAFKAMOSA-N 1 3 335.536 2.591 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976070 481230886 /nfs/dbraw/zinc/23/08/86/481230886.db2.gz JSNFQHITKZJERG-CADBVGFASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976788 481231736 /nfs/dbraw/zinc/23/17/36/481231736.db2.gz UKCYDIDGHXKYIJ-MISYRCLQSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977121 481232128 /nfs/dbraw/zinc/23/21/28/481232128.db2.gz XYVIOTVPBUOKQA-SQNIBIBYSA-N 1 3 329.488 2.750 20 0 EFADHO CCc1ccc(CNC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647977401 481232909 /nfs/dbraw/zinc/23/29/09/481232909.db2.gz AVTOAUCWWBWBAK-JKSUJKDBSA-N 1 3 349.544 2.638 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977256 481232941 /nfs/dbraw/zinc/23/29/41/481232941.db2.gz ZQQJMCZDMNOSCH-UYAOXDASSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1c(-c2cc(CN3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)on2)cnn1C ZINC000647978585 481233680 /nfs/dbraw/zinc/23/36/80/481233680.db2.gz VBKRWDYSWZRJSV-HOTGVXAUSA-N 1 3 343.475 2.595 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCC1CCCCC1 ZINC000647977418 481233970 /nfs/dbraw/zinc/23/39/70/481233970.db2.gz AZXIALRWTOAWTO-MOPGFXCFSA-N 1 3 335.536 2.785 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000647977794 481234166 /nfs/dbraw/zinc/23/41/66/481234166.db2.gz HRHKBSBWFKWNOJ-IAGOWNOFSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977482 481234653 /nfs/dbraw/zinc/23/46/53/481234653.db2.gz CGXVVOYMUSRFRM-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666995461 481243747 /nfs/dbraw/zinc/24/37/47/481243747.db2.gz OLDVFIKUJSOCRS-GOEBONIOSA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCNC3(CCC3)C2)cc1 ZINC000666995461 481243755 /nfs/dbraw/zinc/24/37/55/481243755.db2.gz OLDVFIKUJSOCRS-GOEBONIOSA-N 1 3 331.460 2.677 20 0 EFADHO O=C(NCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000667026800 481264217 /nfs/dbraw/zinc/26/42/17/481264217.db2.gz AOEUQDNAXRHJEN-UAGQMJEPSA-N 1 3 335.879 2.580 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000667042260 481273798 /nfs/dbraw/zinc/27/37/98/481273798.db2.gz KEEYSZKUOZXYFG-WOJBJXKFSA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1cc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1OC ZINC000650705782 481274045 /nfs/dbraw/zinc/27/40/45/481274045.db2.gz VTPWWTHVPMRNLG-SCTDSRPQSA-N 1 3 348.487 2.812 20 0 EFADHO CCn1nc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c2ccccc21 ZINC000650707471 481276744 /nfs/dbraw/zinc/27/67/44/481276744.db2.gz GURGENAOVOBYFP-RZQQEMMASA-N 1 3 342.487 2.775 20 0 EFADHO O=C(CC[C@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646409905 481280617 /nfs/dbraw/zinc/28/06/17/481280617.db2.gz DETGZWMRJYFYSS-PKOBYXMFSA-N 1 3 329.488 2.720 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3nccc4ccccc43)CC2)C1 ZINC000667054174 481281609 /nfs/dbraw/zinc/28/16/09/481281609.db2.gz SWDYILLUGLUZNK-XLIONFOSSA-N 1 3 325.456 2.953 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650725069 481294422 /nfs/dbraw/zinc/29/44/22/481294422.db2.gz SNWCHGLXEUNKRH-QRVBRYPASA-N 1 3 346.519 2.787 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659246406 481305569 /nfs/dbraw/zinc/30/55/69/481305569.db2.gz JOSAGIWXGLAVDQ-RDJZCZTQSA-N 1 3 327.472 2.600 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659246405 481306263 /nfs/dbraw/zinc/30/62/63/481306263.db2.gz JOSAGIWXGLAVDQ-NVXWUHKLSA-N 1 3 327.472 2.600 20 0 EFADHO Fc1ccccc1C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCC1 ZINC000650741176 481307173 /nfs/dbraw/zinc/30/71/73/481307173.db2.gz ZPAJPDRXZKSJIQ-ATZDWAIDSA-N 1 3 332.463 2.994 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCN1C ZINC000659263780 481316962 /nfs/dbraw/zinc/31/69/62/481316962.db2.gz DZCKHYANFGZHPJ-JLSDUUJJSA-N 1 3 329.488 2.620 20 0 EFADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000646483080 481326054 /nfs/dbraw/zinc/32/60/54/481326054.db2.gz ZSDJYLFURASSOV-QFBILLFUSA-N 1 3 329.488 2.837 20 0 EFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000650764618 481326089 /nfs/dbraw/zinc/32/60/89/481326089.db2.gz GEIISTGRZXEIGB-DZOHQFGASA-N 1 3 329.488 2.663 20 0 EFADHO Cc1c([C@H](C)NCCC2CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000650764381 481326344 /nfs/dbraw/zinc/32/63/44/481326344.db2.gz XDAAFOZHVCQQAB-ZDUSSCGKSA-N 1 3 331.439 2.755 20 0 EFADHO Cn1c(=O)ccc2c1CCC[C@H]2N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000650764619 481326419 /nfs/dbraw/zinc/32/64/19/481326419.db2.gz GEIISTGRZXEIGB-VDHUWJSZSA-N 1 3 329.488 2.663 20 0 EFADHO CC(C)([NH3+])CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000648152106 481344991 /nfs/dbraw/zinc/34/49/91/481344991.db2.gz QXLBGTRQQJRLOS-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO NC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)Cc2ccccc2C1 ZINC000648154296 481347652 /nfs/dbraw/zinc/34/76/52/481347652.db2.gz RFXSSELCOHVUBP-UHFFFAOYSA-N 1 3 349.478 2.760 20 0 EFADHO CC[NH+](CC)CCCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](C)N ZINC000659358374 481381442 /nfs/dbraw/zinc/38/14/42/481381442.db2.gz QGGPOBQNPZCWFU-CQSZACIVSA-N 1 3 325.884 2.748 20 0 EFADHO O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659364837 481385773 /nfs/dbraw/zinc/38/57/73/481385773.db2.gz RPCPIEWDBJNWBE-OALUTQOASA-N 1 3 337.423 2.521 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3n[nH]c4ccccc43)CC2)CC1 ZINC000643296039 481393400 /nfs/dbraw/zinc/39/34/00/481393400.db2.gz TWKQCXRMDCXBMY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3n[nH]c4ccccc43)CC2)CC1 ZINC000643296039 481393409 /nfs/dbraw/zinc/39/34/09/481393409.db2.gz TWKQCXRMDCXBMY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3[nH]nc4ccccc43)CC2)CC1 ZINC000643296039 481393414 /nfs/dbraw/zinc/39/34/14/481393414.db2.gz TWKQCXRMDCXBMY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3[nH]nc4ccccc43)CC2)CC1 ZINC000643296039 481393420 /nfs/dbraw/zinc/39/34/20/481393420.db2.gz TWKQCXRMDCXBMY-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 ZINC000661899116 481402565 /nfs/dbraw/zinc/40/25/65/481402565.db2.gz URVHNTNSENKYBE-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646664923 481425539 /nfs/dbraw/zinc/42/55/39/481425539.db2.gz BHTCQRHCKAMKRX-QUCCMNQESA-N 1 3 343.515 2.857 20 0 EFADHO O[C@@H](Cc1cccc(Cl)c1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683102 481426399 /nfs/dbraw/zinc/42/63/99/481426399.db2.gz HBNRBUAOINACFU-IBGZPJMESA-N 1 3 345.874 2.851 20 0 EFADHO O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683102 481426405 /nfs/dbraw/zinc/42/64/05/481426405.db2.gz HBNRBUAOINACFU-IBGZPJMESA-N 1 3 345.874 2.851 20 0 EFADHO CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000659428889 481429124 /nfs/dbraw/zinc/42/91/24/481429124.db2.gz IPVDZIVQRLYIBA-LJQANCHMSA-N 1 3 346.519 2.845 20 0 EFADHO C[C@@H]1CCCN(CCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000646678903 481430525 /nfs/dbraw/zinc/43/05/25/481430525.db2.gz HROAJGZIWMRETQ-UYAOXDASSA-N 1 3 343.515 2.714 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[NH+](C)C ZINC000664709294 481431741 /nfs/dbraw/zinc/43/17/41/481431741.db2.gz AXUMCIQIFHUSEX-LPHOPBHVSA-N 1 3 346.519 2.536 20 0 EFADHO CC1CCN([C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000659440316 481436435 /nfs/dbraw/zinc/43/64/35/481436435.db2.gz GFJDGTMJCANXSD-GOSISDBHSA-N 1 3 346.519 2.838 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000650918792 481438674 /nfs/dbraw/zinc/43/86/74/481438674.db2.gz KZMWGYFUZPTDGY-SJORKVTESA-N 1 3 338.540 2.813 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(C)[C@H](C)C1)C1CCCCC1 ZINC000650918792 481438681 /nfs/dbraw/zinc/43/86/81/481438681.db2.gz KZMWGYFUZPTDGY-SJORKVTESA-N 1 3 338.540 2.813 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])N2CCCC2)cc1 ZINC000659444948 481439511 /nfs/dbraw/zinc/43/95/11/481439511.db2.gz JQNKFPQELJWHJH-QGZVFWFLSA-N 1 3 332.492 2.511 20 0 EFADHO O[C@@H](CCc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639701828 481440803 /nfs/dbraw/zinc/44/08/03/481440803.db2.gz CISQFNSXHXFJOZ-FQEVSTJZSA-N 1 3 325.456 2.587 20 0 EFADHO O[C@@H](CCc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639701828 481440806 /nfs/dbraw/zinc/44/08/06/481440806.db2.gz CISQFNSXHXFJOZ-FQEVSTJZSA-N 1 3 325.456 2.587 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659457281 481447233 /nfs/dbraw/zinc/44/72/33/481447233.db2.gz XXMUXMZWLVCHFY-INIZCTEOSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659457282 481447903 /nfs/dbraw/zinc/44/79/03/481447903.db2.gz XXMUXMZWLVCHFY-MRXNPFEDSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659463610 481450039 /nfs/dbraw/zinc/45/00/39/481450039.db2.gz AXMSYQPLWJSSPD-WMZOPIPTSA-N 1 3 344.503 2.610 20 0 EFADHO CC(C)O[C@@H]1CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639719396 481457106 /nfs/dbraw/zinc/45/71/06/481457106.db2.gz DWKJUSQJHLVNJY-WOJBJXKFSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@@H]1CCCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639719396 481457112 /nfs/dbraw/zinc/45/71/12/481457112.db2.gz DWKJUSQJHLVNJY-WOJBJXKFSA-N 1 3 332.488 2.513 20 0 EFADHO COc1cccc2c1OC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000643452040 481474456 /nfs/dbraw/zinc/47/44/56/481474456.db2.gz PZXXBLHLXYDXJG-VSZNYVQBSA-N 1 3 330.472 2.899 20 0 EFADHO FC(F)(F)c1ccc(CCN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000643456691 481476559 /nfs/dbraw/zinc/47/65/59/481476559.db2.gz ZXHLHOBHJDECBD-IXDOHACOSA-N 1 3 342.405 2.995 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513792 481477240 /nfs/dbraw/zinc/47/72/40/481477240.db2.gz ZYZGVRCTZLUGFC-MSOLQXFVSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513792 481477248 /nfs/dbraw/zinc/47/72/48/481477248.db2.gz ZYZGVRCTZLUGFC-MSOLQXFVSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513794 481477641 /nfs/dbraw/zinc/47/76/41/481477641.db2.gz ZYZGVRCTZLUGFC-ROUUACIJSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513794 481477645 /nfs/dbraw/zinc/47/76/45/481477645.db2.gz ZYZGVRCTZLUGFC-ROUUACIJSA-N 1 3 332.492 2.593 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1cccc(OCc2ccccn2)c1 ZINC000643462270 481479036 /nfs/dbraw/zinc/47/90/36/481479036.db2.gz SMELIQBLWCVYAK-RYGJVYDSSA-N 1 3 341.455 2.503 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000637367080 481483283 /nfs/dbraw/zinc/48/32/83/481483283.db2.gz IKFBEWQRVBBSJV-BHIYHBOVSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000643470456 481484386 /nfs/dbraw/zinc/48/43/86/481484386.db2.gz XONCHHFGRJTCRD-IUODEOHRSA-N 1 3 343.393 2.918 20 0 EFADHO Cn1ncc2ccc(CN[C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cc21 ZINC000643490124 481488179 /nfs/dbraw/zinc/48/81/79/481488179.db2.gz KSZINHBHVJNKIU-WIYYLYMNSA-N 1 3 348.450 2.919 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000637374376 481489602 /nfs/dbraw/zinc/48/96/02/481489602.db2.gz WWOCURWARVOBLK-HKUYNNGSSA-N 1 3 348.535 2.521 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCC3)CC[C@@H]21 ZINC000637374542 481493072 /nfs/dbraw/zinc/49/30/72/481493072.db2.gz XXZFRCDMDBGYAZ-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCN3C3CCCCC3)CC[C@@H]21 ZINC000637374542 481493077 /nfs/dbraw/zinc/49/30/77/481493077.db2.gz XXZFRCDMDBGYAZ-QRQLOZEOSA-N 1 3 348.535 2.519 20 0 EFADHO F[C@@H]1CN[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000643538676 481499800 /nfs/dbraw/zinc/49/98/00/481499800.db2.gz REYKNRGYLGMTNA-WKWVNEEDSA-N 1 3 331.479 2.719 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000643545748 481501111 /nfs/dbraw/zinc/50/11/11/481501111.db2.gz BMSHHRNYBYMBBR-ZHALLVOQSA-N 1 3 328.504 2.556 20 0 EFADHO C[C@H]([NH2+][C@H]1CCNC2(CCC2)C1)c1cccc(N2CCOCC2)c1 ZINC000643546820 481501189 /nfs/dbraw/zinc/50/11/89/481501189.db2.gz VJVGVSYZBKUMFV-WMZOPIPTSA-N 1 3 329.488 2.849 20 0 EFADHO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000643545931 481501222 /nfs/dbraw/zinc/50/12/22/481501222.db2.gz FUXJRXNTINACDV-WMZOPIPTSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000664865758 481525046 /nfs/dbraw/zinc/52/50/46/481525046.db2.gz LDDQZESUFIHYJY-RYQLBKOJSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000664865758 481525049 /nfs/dbraw/zinc/52/50/49/481525049.db2.gz LDDQZESUFIHYJY-RYQLBKOJSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000664865754 481525247 /nfs/dbraw/zinc/52/52/47/481525247.db2.gz LDDQZESUFIHYJY-CGTJXYLNSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H](c1ccccc1)N(C)C ZINC000664865754 481525251 /nfs/dbraw/zinc/52/52/51/481525251.db2.gz LDDQZESUFIHYJY-CGTJXYLNSA-N 1 3 346.519 2.850 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000664866558 481527127 /nfs/dbraw/zinc/52/71/27/481527127.db2.gz DSCYHNFHYLEZNW-JENIJYKNSA-N 1 3 346.519 2.770 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)C1 ZINC000664866558 481527135 /nfs/dbraw/zinc/52/71/35/481527135.db2.gz DSCYHNFHYLEZNW-JENIJYKNSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C)N(C)C ZINC000664869204 481530043 /nfs/dbraw/zinc/53/00/43/481530043.db2.gz LNRCCQMJYIYLHI-RYRKJORJSA-N 1 3 334.508 2.626 20 0 EFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CCO1 ZINC000648426782 481537385 /nfs/dbraw/zinc/53/73/85/481537385.db2.gz XKICMPUNWSQGOK-SFTDATJTSA-N 1 3 345.531 2.871 20 0 EFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCN(CC)CC2)CCO1 ZINC000648426781 481537576 /nfs/dbraw/zinc/53/75/76/481537576.db2.gz XKICMPUNWSQGOK-RTWAWAEBSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637472961 481552359 /nfs/dbraw/zinc/55/23/59/481552359.db2.gz NHGJJPCPKGYWPS-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000637472961 481552366 /nfs/dbraw/zinc/55/23/66/481552366.db2.gz NHGJJPCPKGYWPS-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648496115 481579114 /nfs/dbraw/zinc/57/91/14/481579114.db2.gz QAHDPXDWRKPYRY-UHFFFAOYSA-N 1 3 336.867 2.598 20 0 EFADHO O[C@H]1CC[N@@H+](C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000662151489 481595800 /nfs/dbraw/zinc/59/58/00/481595800.db2.gz IKSMAXXZPLVWCK-XUJLQICISA-N 1 3 334.426 2.886 20 0 EFADHO O[C@H]1CC[N@H+](C2CCN(CC3CCC(C(F)(F)F)CC3)CC2)C1 ZINC000662151489 481595807 /nfs/dbraw/zinc/59/58/07/481595807.db2.gz IKSMAXXZPLVWCK-XUJLQICISA-N 1 3 334.426 2.886 20 0 EFADHO CC[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC[C@@H]1[NH3+] ZINC000647006016 481597363 /nfs/dbraw/zinc/59/73/63/481597363.db2.gz JNLUVYDWZAVOCZ-AOIWGVFYSA-N 1 3 347.478 2.624 20 0 EFADHO CC[N@H+](CCCNC(=O)N(C)C[C@H]1CCCN1C)C1CCCCC1 ZINC000651218483 481633767 /nfs/dbraw/zinc/63/37/67/481633767.db2.gz PQZKVTQRSAOTJD-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC[N@@H+](CCCNC(=O)N(C)C[C@H]1CCCN1C)C1CCCCC1 ZINC000651218483 481633771 /nfs/dbraw/zinc/63/37/71/481633771.db2.gz PQZKVTQRSAOTJD-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO O=C(C1CCN(Cc2cccc3c2CC[NH2+]C3)CC1)N1CCCCC1 ZINC000662248606 481663995 /nfs/dbraw/zinc/66/39/95/481663995.db2.gz HJFYQZUQINDADW-UHFFFAOYSA-N 1 3 341.499 2.557 20 0 EFADHO CC[C@@H]1CN(Cc2cccc3c2CC[NH2+]C3)[C@@H](CC)CN1C(C)=O ZINC000662256861 481668709 /nfs/dbraw/zinc/66/87/09/481668709.db2.gz LTEGRAIHSLBSCO-RBUKOAKNSA-N 1 3 329.488 2.554 20 0 EFADHO C([C@@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000662279886 481689183 /nfs/dbraw/zinc/68/91/83/481689183.db2.gz MZHRVRROGCVNGR-GJZGRUSLSA-N 1 3 347.528 2.722 20 0 EFADHO c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662280074 481689654 /nfs/dbraw/zinc/68/96/54/481689654.db2.gz XQRLWUOZPLHGIC-NXEWRWPSSA-N 1 3 326.484 2.993 20 0 EFADHO c1ccc(CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662280074 481689657 /nfs/dbraw/zinc/68/96/57/481689657.db2.gz XQRLWUOZPLHGIC-NXEWRWPSSA-N 1 3 326.484 2.993 20 0 EFADHO OCC1([NH2+]CCSc2cc(Cl)ccc2Cl)CCNCC1 ZINC000662285440 481691471 /nfs/dbraw/zinc/69/14/71/481691471.db2.gz BAMAPPVGZGRRJT-UHFFFAOYSA-N 1 3 335.300 2.790 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662285777 481691580 /nfs/dbraw/zinc/69/15/80/481691580.db2.gz MZJNMGUUGDXSNZ-PKOBYXMFSA-N 1 3 330.472 2.613 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662285777 481691584 /nfs/dbraw/zinc/69/15/84/481691584.db2.gz MZJNMGUUGDXSNZ-PKOBYXMFSA-N 1 3 330.472 2.613 20 0 EFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CNCCC1(F)F ZINC000644049725 481692197 /nfs/dbraw/zinc/69/21/97/481692197.db2.gz NAWHLBQBBUEGSJ-HNNXBMFYSA-N 1 3 343.462 2.536 20 0 EFADHO O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CNCCC1(F)F ZINC000644049726 481692236 /nfs/dbraw/zinc/69/22/36/481692236.db2.gz NAWHLBQBBUEGSJ-OAHLLOKOSA-N 1 3 343.462 2.536 20 0 EFADHO C[C@@H](C(=O)NC1CCC(C)CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291245 481696017 /nfs/dbraw/zinc/69/60/17/481696017.db2.gz QFHQUASJBSZMAA-DPCKTDSQSA-N 1 3 335.536 2.781 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000648724297 481697158 /nfs/dbraw/zinc/69/71/58/481697158.db2.gz PIZROTWOENPWLO-ATZDWAIDSA-N 1 3 347.503 2.535 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccc(OC)c1 ZINC000648724297 481697164 /nfs/dbraw/zinc/69/71/64/481697164.db2.gz PIZROTWOENPWLO-ATZDWAIDSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293725 481697332 /nfs/dbraw/zinc/69/73/32/481697332.db2.gz IMEPEJLADFSQDW-FXAWDEMLSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](C(=O)N(C)c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293678 481698388 /nfs/dbraw/zinc/69/83/88/481698388.db2.gz HYWXTOAXEOHJHT-SJLPKXTDSA-N 1 3 329.488 2.750 20 0 EFADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1ccc(Cl)cc1 ZINC000662295349 481699892 /nfs/dbraw/zinc/69/98/92/481699892.db2.gz QMXOBPTZUWUYGK-KRWDZBQOSA-N 1 3 349.906 2.668 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295088 481699918 /nfs/dbraw/zinc/69/99/18/481699918.db2.gz STQGSEGJEFUVEW-RHSMWYFYSA-N 1 3 341.459 2.904 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294823 481700739 /nfs/dbraw/zinc/70/07/39/481700739.db2.gz NYOGJRNNCKUKPQ-YTQUADARSA-N 1 3 335.536 2.878 20 0 EFADHO O=C1Nc2ccccc2CC[C@H]1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296144 481702570 /nfs/dbraw/zinc/70/25/70/481702570.db2.gz YACKMQXXQWWSDG-IEBWSBKVSA-N 1 3 327.472 2.652 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295896 481702683 /nfs/dbraw/zinc/70/26/83/481702683.db2.gz IQGDBFBVFLTXLY-QAPCUYQASA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296513 481703171 /nfs/dbraw/zinc/70/31/71/481703171.db2.gz LMIHNDXCOPCSNJ-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCCN(CC(=O)N2CCCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313148 481716884 /nfs/dbraw/zinc/71/68/84/481716884.db2.gz KEROVUIINFKYAF-SJLPKXTDSA-N 1 3 329.488 2.805 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@H]3CC(C)(C)C)CC2)CC1 ZINC000648756822 481720342 /nfs/dbraw/zinc/72/03/42/481720342.db2.gz OFTHOQUENPIDCP-MAUKXSAKSA-N 1 3 335.536 2.734 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316711 481720766 /nfs/dbraw/zinc/72/07/66/481720766.db2.gz LYUPHLDMHDZQRZ-UYAOXDASSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316711 481720768 /nfs/dbraw/zinc/72/07/68/481720768.db2.gz LYUPHLDMHDZQRZ-UYAOXDASSA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC000662316711 481720772 /nfs/dbraw/zinc/72/07/72/481720772.db2.gz LYUPHLDMHDZQRZ-UYAOXDASSA-N 1 3 339.483 2.948 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000667670979 481725453 /nfs/dbraw/zinc/72/54/53/481725453.db2.gz DLLYUHOSAOKRPA-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000667670979 481725460 /nfs/dbraw/zinc/72/54/60/481725460.db2.gz DLLYUHOSAOKRPA-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000667670979 481725468 /nfs/dbraw/zinc/72/54/68/481725468.db2.gz DLLYUHOSAOKRPA-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO C[C@H](c1cnccn1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662326872 481727911 /nfs/dbraw/zinc/72/79/11/481727911.db2.gz FULRWWVTYUHDME-CQSZACIVSA-N 1 3 340.475 2.607 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1 ZINC000662336125 481735154 /nfs/dbraw/zinc/73/51/54/481735154.db2.gz VHVJBTLFUDHBBG-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CCNCC4)n[nH]3)C2)cc1 ZINC000662336125 481735164 /nfs/dbraw/zinc/73/51/64/481735164.db2.gz VHVJBTLFUDHBBG-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO C[C@@H]1CN(Cc2cc3ccncc3s2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000667683331 481736844 /nfs/dbraw/zinc/73/68/44/481736844.db2.gz MNMCANLOFHHBBW-QAPCUYQASA-N 1 3 344.528 2.754 20 0 EFADHO C[C@H]1CN(Cc2cc3ccncc3s2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000667683330 481736898 /nfs/dbraw/zinc/73/68/98/481736898.db2.gz MNMCANLOFHHBBW-MAUKXSAKSA-N 1 3 344.528 2.754 20 0 EFADHO CC(=O)NCc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000665235163 481737787 /nfs/dbraw/zinc/73/77/87/481737787.db2.gz QPPBTVXXNSCKJG-NHCUHLMSSA-N 1 3 337.467 2.906 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[N@@H+]1C ZINC000648795677 481746693 /nfs/dbraw/zinc/74/66/93/481746693.db2.gz WRPMTTDJYWREQX-KCYZZUKISA-N 1 3 335.517 2.587 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000648795677 481746698 /nfs/dbraw/zinc/74/66/98/481746698.db2.gz WRPMTTDJYWREQX-KCYZZUKISA-N 1 3 335.517 2.587 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000665258721 481754140 /nfs/dbraw/zinc/75/41/40/481754140.db2.gz JZRIGFCKLQEMJU-JSNMRZPZSA-N 1 3 342.462 2.784 20 0 EFADHO COc1ccc(-c2cc(CN[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)on2)cc1 ZINC000665262319 481756859 /nfs/dbraw/zinc/75/68/59/481756859.db2.gz YOXLPOHRUMFJRE-ARFHVFGLSA-N 1 3 327.428 2.828 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(CN)nc2C)CCCCC1 ZINC000665275761 481764584 /nfs/dbraw/zinc/76/45/84/481764584.db2.gz RAFJXAYOJGPZGT-AWEZNQCLSA-N 1 3 332.492 2.586 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccco1 ZINC000667733949 481770079 /nfs/dbraw/zinc/77/00/79/481770079.db2.gz OKFKPVRVANPMBY-XJKSGUPXSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667734345 481770158 /nfs/dbraw/zinc/77/01/58/481770158.db2.gz VMTCMDKEVQVXHD-OAHLLOKOSA-N 1 3 326.444 2.787 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)CCN1Cc1ccccc1 ZINC000667733463 481770490 /nfs/dbraw/zinc/77/04/90/481770490.db2.gz FVAATYOJZYPUJU-BEFAXECRSA-N 1 3 338.455 2.930 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccco1 ZINC000667733947 481770645 /nfs/dbraw/zinc/77/06/45/481770645.db2.gz OKFKPVRVANPMBY-CZUORRHYSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667736574 481771551 /nfs/dbraw/zinc/77/15/51/481771551.db2.gz JGXWUZXVWDFKCI-BEFAXECRSA-N 1 3 338.455 2.787 20 0 EFADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1NCc2ccccc21 ZINC000662397664 481783751 /nfs/dbraw/zinc/78/37/51/481783751.db2.gz HNCDDLDKSWMKNV-QUCCMNQESA-N 1 3 337.467 2.510 20 0 EFADHO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@H]1NCc2ccccc21 ZINC000662397665 481783976 /nfs/dbraw/zinc/78/39/76/481783976.db2.gz HNCDDLDKSWMKNV-UYAOXDASSA-N 1 3 337.467 2.510 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662400778 481786754 /nfs/dbraw/zinc/78/67/54/481786754.db2.gz DZOZLJNCQNBCEW-LJQANCHMSA-N 1 3 329.488 2.800 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H]2NCc3ccccc32)CC1 ZINC000662400778 481786763 /nfs/dbraw/zinc/78/67/63/481786763.db2.gz DZOZLJNCQNBCEW-LJQANCHMSA-N 1 3 329.488 2.800 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)C[C@@H]2NCc3ccccc32)([NH+](C)C)C1 ZINC000662401359 481787089 /nfs/dbraw/zinc/78/70/89/481787089.db2.gz SASOCUOJEBDPHF-BPAFIMBUSA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662405135 481788709 /nfs/dbraw/zinc/78/87/09/481788709.db2.gz WTQQJJLJWYKDGI-GJYPPUQNSA-N 1 3 343.515 2.915 20 0 EFADHO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000662411771 481791068 /nfs/dbraw/zinc/79/10/68/481791068.db2.gz YIXKTMFFOPHXKU-INIZCTEOSA-N 1 3 343.496 2.947 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)c2cc3c(s2)CCNC3)[NH+](C)C)cc1 ZINC000662416571 481795124 /nfs/dbraw/zinc/79/51/24/481795124.db2.gz DBGJIXKCZOACPE-MRXNPFEDSA-N 1 3 343.496 2.735 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)NC1CC[NH+](CC2CCCC2)CC1 ZINC000662421936 481798705 /nfs/dbraw/zinc/79/87/05/481798705.db2.gz GMZKWUCGRQOCFN-HXUWFJFHSA-N 1 3 341.499 2.992 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc2c(s1)CCNC2 ZINC000662424070 481800317 /nfs/dbraw/zinc/80/03/17/481800317.db2.gz SLOZFTUWMOQWPC-UHFFFAOYSA-N 1 3 347.528 2.778 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662429198 481800922 /nfs/dbraw/zinc/80/09/22/481800922.db2.gz KQUDVCNVVTUCEW-HNNXBMFYSA-N 1 3 335.517 2.778 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c(s1)CCNC2 ZINC000662429198 481800928 /nfs/dbraw/zinc/80/09/28/481800928.db2.gz KQUDVCNVVTUCEW-HNNXBMFYSA-N 1 3 335.517 2.778 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000667781657 481801272 /nfs/dbraw/zinc/80/12/72/481801272.db2.gz PICCVVDYUWEASB-AEFFLSMTSA-N 1 3 332.488 2.717 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000667781657 481801280 /nfs/dbraw/zinc/80/12/80/481801280.db2.gz PICCVVDYUWEASB-AEFFLSMTSA-N 1 3 332.488 2.717 20 0 EFADHO CC1(C)CC(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)CC(C)(C)[NH2+]1 ZINC000654346081 481806942 /nfs/dbraw/zinc/80/69/42/481806942.db2.gz JEUOBYXFXCYFHG-JKSUJKDBSA-N 1 3 336.524 2.612 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662462895 481820344 /nfs/dbraw/zinc/82/03/44/481820344.db2.gz POCIXVNOSLFCEL-QZTJIDSGSA-N 1 3 329.488 2.669 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662462896 481820504 /nfs/dbraw/zinc/82/05/04/481820504.db2.gz POCIXVNOSLFCEL-ROUUACIJSA-N 1 3 329.488 2.669 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662485958 481834373 /nfs/dbraw/zinc/83/43/73/481834373.db2.gz TWNFGEXPIPNVEB-MSOLQXFVSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491235 481837335 /nfs/dbraw/zinc/83/73/35/481837335.db2.gz PYKAQIBVWGNTQS-IIBYNOLFSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc2c1CNC2 ZINC000662491235 481837342 /nfs/dbraw/zinc/83/73/42/481837342.db2.gz PYKAQIBVWGNTQS-IIBYNOLFSA-N 1 3 349.478 2.930 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000660241341 481853107 /nfs/dbraw/zinc/85/31/07/481853107.db2.gz FUGLKZPJMVBBFT-VQTJNVASSA-N 1 3 333.520 2.504 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](CN1CCCCC1)c1ccccc1 ZINC000660241341 481853112 /nfs/dbraw/zinc/85/31/12/481853112.db2.gz FUGLKZPJMVBBFT-VQTJNVASSA-N 1 3 333.520 2.504 20 0 EFADHO C[C@H](NC(=O)c1cccc2c1CNC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662514601 481854055 /nfs/dbraw/zinc/85/40/55/481854055.db2.gz PLUYSPSEMJXBHB-LPHOPBHVSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H](NC(=O)c1cccc2c1CNC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662514601 481854058 /nfs/dbraw/zinc/85/40/58/481854058.db2.gz PLUYSPSEMJXBHB-LPHOPBHVSA-N 1 3 349.478 2.930 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[C@H]1[NH3+] ZINC000640218598 481859471 /nfs/dbraw/zinc/85/94/71/481859471.db2.gz HRBXIJAJRJEDTB-NIKGAXFTSA-N 1 3 340.471 2.608 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)c1cc2c(s1)CCNC2)c1ccccc1 ZINC000662570753 481880658 /nfs/dbraw/zinc/88/06/58/481880658.db2.gz HYYXIFLSQNYLIM-OAHLLOKOSA-N 1 3 329.469 2.604 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662589508 481889638 /nfs/dbraw/zinc/88/96/38/481889638.db2.gz JBISPPPSMGUEAQ-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCCN(CC2CCC2)CC1 ZINC000665478332 481890143 /nfs/dbraw/zinc/89/01/43/481890143.db2.gz NNANJXXKJDDGRD-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCCN(CC2CCC2)CC1 ZINC000665478332 481890149 /nfs/dbraw/zinc/89/01/49/481890149.db2.gz NNANJXXKJDDGRD-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662592280 481890997 /nfs/dbraw/zinc/89/09/97/481890997.db2.gz IRCOBDLUHJAGRF-DOTOQJQBSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H](N)c2ccccc2)C1 ZINC000662592280 481891003 /nfs/dbraw/zinc/89/10/03/481891003.db2.gz IRCOBDLUHJAGRF-DOTOQJQBSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000660324034 481896614 /nfs/dbraw/zinc/89/66/14/481896614.db2.gz HDUQHLHEYFVQEU-KRWDZBQOSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000654527672 481917383 /nfs/dbraw/zinc/91/73/83/481917383.db2.gz BORIWBDTFFCEGD-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000662659850 481921763 /nfs/dbraw/zinc/92/17/63/481921763.db2.gz VNGZVPWNOSOFKR-SVFBPWRDSA-N 1 3 343.515 2.669 20 0 EFADHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662661179 481921863 /nfs/dbraw/zinc/92/18/63/481921863.db2.gz MBZYUJYXDLIHHI-IBGZPJMESA-N 1 3 349.478 2.679 20 0 EFADHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662661179 481921871 /nfs/dbraw/zinc/92/18/71/481921871.db2.gz MBZYUJYXDLIHHI-IBGZPJMESA-N 1 3 349.478 2.679 20 0 EFADHO NC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC2(CCC2)C1 ZINC000662674786 481928126 /nfs/dbraw/zinc/92/81/26/481928126.db2.gz HNKUZAUAZPGHSQ-UHFFFAOYSA-N 1 3 327.472 2.560 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000660385598 481928856 /nfs/dbraw/zinc/92/88/56/481928856.db2.gz JZWYKOCBWDJDFS-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000660385598 481928867 /nfs/dbraw/zinc/92/88/67/481928867.db2.gz JZWYKOCBWDJDFS-LJQANCHMSA-N 1 3 346.519 2.810 20 0 EFADHO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CCNC2)C1CCCCC1 ZINC000662680045 481930580 /nfs/dbraw/zinc/93/05/80/481930580.db2.gz SNOYEJCRFSJTBZ-OAHLLOKOSA-N 1 3 335.517 2.634 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000649101188 481931039 /nfs/dbraw/zinc/93/10/39/481931039.db2.gz PLTOHKZPNHHOGH-DSJDWBEOSA-N 1 3 343.515 2.709 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N1[C@H](C)CC[C@@H]1C ZINC000649101188 481931044 /nfs/dbraw/zinc/93/10/44/481931044.db2.gz PLTOHKZPNHHOGH-DSJDWBEOSA-N 1 3 343.515 2.709 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc3c2CCNC3)C1 ZINC000662681650 481931432 /nfs/dbraw/zinc/93/14/32/481931432.db2.gz AIRXKJMGPBKVJH-IRXDYDNUSA-N 1 3 343.515 2.820 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000662683621 481931498 /nfs/dbraw/zinc/93/14/98/481931498.db2.gz QVGOVUAGIQXZCR-KRWDZBQOSA-N 1 3 347.503 2.593 20 0 EFADHO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)CC1 ZINC000665554699 481932184 /nfs/dbraw/zinc/93/21/84/481932184.db2.gz QBYZKVNNVLLAOV-QGZVFWFLSA-N 1 3 338.540 2.623 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(-c2cccc(C)c2)nc1C ZINC000651753256 481932765 /nfs/dbraw/zinc/93/27/65/481932765.db2.gz KNGMJQLGUZMJMR-FQEVSTJZSA-N 1 3 344.503 2.936 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000665556039 481933040 /nfs/dbraw/zinc/93/30/40/481933040.db2.gz PSRXCQCHKDDSGM-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO NC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC2(CCC2)C1 ZINC000662689868 481934880 /nfs/dbraw/zinc/93/48/80/481934880.db2.gz JVPWAEFPYARRAS-UHFFFAOYSA-N 1 3 333.520 2.763 20 0 EFADHO NC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC2(CCC2)C1 ZINC000662689868 481934886 /nfs/dbraw/zinc/93/48/86/481934886.db2.gz JVPWAEFPYARRAS-UHFFFAOYSA-N 1 3 333.520 2.763 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CCNC3)c1 ZINC000662694527 481936678 /nfs/dbraw/zinc/93/66/78/481936678.db2.gz RRUOLSONVJFSOQ-UHFFFAOYSA-N 1 3 337.467 2.714 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2CCNC3)c1 ZINC000662694527 481936679 /nfs/dbraw/zinc/93/66/79/481936679.db2.gz RRUOLSONVJFSOQ-UHFFFAOYSA-N 1 3 337.467 2.714 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc21 ZINC000662699317 481940218 /nfs/dbraw/zinc/94/02/18/481940218.db2.gz ZTYRCYZVPDGSDI-RBUKOAKNSA-N 1 3 341.499 2.766 20 0 EFADHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699275 481940312 /nfs/dbraw/zinc/94/03/12/481940312.db2.gz ZGOPGHOHAQDAEE-IRXDYDNUSA-N 1 3 333.520 2.761 20 0 EFADHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(N)CC3(CCC3)C2)C1 ZINC000662699275 481940316 /nfs/dbraw/zinc/94/03/16/481940316.db2.gz ZGOPGHOHAQDAEE-IRXDYDNUSA-N 1 3 333.520 2.761 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc21 ZINC000662699316 481940411 /nfs/dbraw/zinc/94/04/11/481940411.db2.gz ZTYRCYZVPDGSDI-OALUTQOASA-N 1 3 341.499 2.766 20 0 EFADHO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000662700411 481941423 /nfs/dbraw/zinc/94/14/23/481941423.db2.gz HKIGFICBHXJZIS-QGZVFWFLSA-N 1 3 347.528 2.605 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCC2(C)C)N2CCCC2)cc1 ZINC000662701681 481941473 /nfs/dbraw/zinc/94/14/73/481941473.db2.gz SJTYAALGNYIWJU-MSOLQXFVSA-N 1 3 329.488 2.636 20 0 EFADHO CN(Cc1cccc2c1CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651808373 481959568 /nfs/dbraw/zinc/95/95/68/481959568.db2.gz OPIRBSZQXCRXOC-HXUWFJFHSA-N 1 3 327.516 2.776 20 0 EFADHO CN(Cc1cccc2c1CCC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000651808373 481959578 /nfs/dbraw/zinc/95/95/78/481959578.db2.gz OPIRBSZQXCRXOC-HXUWFJFHSA-N 1 3 327.516 2.776 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3cccc4c3CCC4)CC2)CC1 ZINC000651808089 481959847 /nfs/dbraw/zinc/95/98/47/481959847.db2.gz FEINPWXOMOWSRL-UHFFFAOYSA-N 1 3 327.516 2.635 20 0 EFADHO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc2c(s1)CCNC2 ZINC000662788510 481970210 /nfs/dbraw/zinc/97/02/10/481970210.db2.gz OCPKCMGYDNTLQF-UHFFFAOYSA-N 1 3 349.544 2.978 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCCCC1 ZINC000662841168 481992543 /nfs/dbraw/zinc/99/25/43/481992543.db2.gz HWIIAJGFPJEJQA-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000668158812 482006625 /nfs/dbraw/zinc/00/66/25/482006625.db2.gz ASTPSTUWIQRSIU-IEBWSBKVSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000668158812 482006629 /nfs/dbraw/zinc/00/66/29/482006629.db2.gz ASTPSTUWIQRSIU-IEBWSBKVSA-N 1 3 334.504 2.963 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000668158812 482006632 /nfs/dbraw/zinc/00/66/32/482006632.db2.gz ASTPSTUWIQRSIU-IEBWSBKVSA-N 1 3 334.504 2.963 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3[C@@H](C)CCC[C@@H]3C)CC2)CC1 ZINC000654713749 482008824 /nfs/dbraw/zinc/00/88/24/482008824.db2.gz UDDHHOHCVTUMLB-IRXDYDNUSA-N 1 3 335.536 2.972 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000668169204 482012681 /nfs/dbraw/zinc/01/26/81/482012681.db2.gz KTMNMFBXZFQFOD-WSTZPKSXSA-N 1 3 346.519 2.552 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@H+]2CC[C@@H](C3CCN(C)CC3)C2)cn1 ZINC000668169204 482012685 /nfs/dbraw/zinc/01/26/85/482012685.db2.gz KTMNMFBXZFQFOD-WSTZPKSXSA-N 1 3 346.519 2.552 20 0 EFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCCC[C@@H]1C ZINC000649293391 482015451 /nfs/dbraw/zinc/01/54/51/482015451.db2.gz RFSXNTKUKYAXNI-ZWKOTPCHSA-N 1 3 343.515 2.687 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C ZINC000654728977 482018114 /nfs/dbraw/zinc/01/81/14/482018114.db2.gz BXQHZRXDDRPQOM-XMTFNYHQSA-N 1 3 336.524 2.518 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1C ZINC000654728977 482018119 /nfs/dbraw/zinc/01/81/19/482018119.db2.gz BXQHZRXDDRPQOM-XMTFNYHQSA-N 1 3 336.524 2.518 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000654728043 482018681 /nfs/dbraw/zinc/01/86/81/482018681.db2.gz ALDYHJYOAOGSPO-GUDVDZBRSA-N 1 3 348.535 2.663 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)CCC(C)(C)[NH3+])cc1Cl ZINC000649305944 482021425 /nfs/dbraw/zinc/02/14/25/482021425.db2.gz NKYTVSNPKNTMKH-UHFFFAOYSA-N 1 3 327.856 2.736 20 0 EFADHO C[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H](N)c1ccccc1 ZINC000662973284 482021570 /nfs/dbraw/zinc/02/15/70/482021570.db2.gz YAGNKVZCWGQHHN-DNVCBOLYSA-N 1 3 329.488 2.561 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654732868 482023285 /nfs/dbraw/zinc/02/32/85/482023285.db2.gz IIVNIEHFFUIZSO-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CC1(C)CN(C(=O)C2(N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000663019431 482035524 /nfs/dbraw/zinc/03/55/24/482035524.db2.gz LKBGIKVESKNUSF-GOSISDBHSA-N 1 3 341.499 2.627 20 0 EFADHO CN(C)C[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc2O1 ZINC000649347403 482035665 /nfs/dbraw/zinc/03/56/65/482035665.db2.gz WAHWZOONBMYAIX-MRXNPFEDSA-N 1 3 345.487 2.642 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](CN(C)C)Oc3ccccc32)cc1 ZINC000649347344 482035879 /nfs/dbraw/zinc/03/58/79/482035879.db2.gz RCNPUVNPJUYBQC-WMLDXEAASA-N 1 3 339.439 2.676 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660634932 482060587 /nfs/dbraw/zinc/06/05/87/482060587.db2.gz XCKPFDLFWHMAPW-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660634932 482060592 /nfs/dbraw/zinc/06/05/92/482060592.db2.gz XCKPFDLFWHMAPW-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO COc1ccccc1CN1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649412481 482066721 /nfs/dbraw/zinc/06/67/21/482066721.db2.gz OKARLZJYOPHQHD-UHFFFAOYSA-N 1 3 331.504 2.593 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@H](n3ccnc3C)C2)cc1 ZINC000649413197 482066795 /nfs/dbraw/zinc/06/67/95/482066795.db2.gz PBDFBXGQGIEIHQ-ROUUACIJSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CCC[C@H](n3ccnc3C)C2)cc1 ZINC000649413197 482066800 /nfs/dbraw/zinc/06/68/00/482066800.db2.gz PBDFBXGQGIEIHQ-ROUUACIJSA-N 1 3 328.460 2.580 20 0 EFADHO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664759 482082749 /nfs/dbraw/zinc/08/27/49/482082749.db2.gz SNQMMOZBBWXOMO-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C2 ZINC000660664759 482082753 /nfs/dbraw/zinc/08/27/53/482082753.db2.gz SNQMMOZBBWXOMO-PXNSSMCTSA-N 1 3 335.536 2.689 20 0 EFADHO [NH3+]C1(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)CCCCC1 ZINC000668490910 482142450 /nfs/dbraw/zinc/14/24/50/482142450.db2.gz IHRYRPHPGHJAPO-GOSISDBHSA-N 1 3 344.503 2.784 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000660785140 482143975 /nfs/dbraw/zinc/14/39/75/482143975.db2.gz KQDRPHJHQRGRGO-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000660785140 482143980 /nfs/dbraw/zinc/14/39/80/482143980.db2.gz KQDRPHJHQRGRGO-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652312406 482169894 /nfs/dbraw/zinc/16/98/94/482169894.db2.gz OBOKVIAGHPFNQU-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652317080 482171768 /nfs/dbraw/zinc/17/17/68/482171768.db2.gz GXCGOUZVDWUFRN-UHFFFAOYSA-N 1 3 346.519 2.586 20 0 EFADHO CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351223 482186460 /nfs/dbraw/zinc/18/64/60/482186460.db2.gz OAOKUKDVEFJHDS-KSSFIOAISA-N 1 3 333.501 2.798 20 0 EFADHO CSc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000652351223 482186465 /nfs/dbraw/zinc/18/64/65/482186465.db2.gz OAOKUKDVEFJHDS-KSSFIOAISA-N 1 3 333.501 2.798 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCN ZINC000652353472 482187693 /nfs/dbraw/zinc/18/76/93/482187693.db2.gz LJYDDCCVAXAKMF-QAPCUYQASA-N 1 3 343.471 2.512 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CCN ZINC000652353472 482187701 /nfs/dbraw/zinc/18/77/01/482187701.db2.gz LJYDDCCVAXAKMF-QAPCUYQASA-N 1 3 343.471 2.512 20 0 EFADHO C[C@@H]1CCCN(CCCCN2C(=O)c3ccccc3C2=O)[C@H]1CC[NH3+] ZINC000652353472 482187709 /nfs/dbraw/zinc/18/77/09/482187709.db2.gz LJYDDCCVAXAKMF-QAPCUYQASA-N 1 3 343.471 2.512 20 0 EFADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362873 482194857 /nfs/dbraw/zinc/19/48/57/482194857.db2.gz RRADUAUPIQHEOM-BHIYHBOVSA-N 1 3 331.460 2.506 20 0 EFADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362874 482195293 /nfs/dbraw/zinc/19/52/93/482195293.db2.gz RRADUAUPIQHEOM-QRQLOZEOSA-N 1 3 331.460 2.506 20 0 EFADHO CC(=O)Nc1cccc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362875 482195411 /nfs/dbraw/zinc/19/54/11/482195411.db2.gz RRADUAUPIQHEOM-QXAKKESOSA-N 1 3 331.460 2.506 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H](O)CN(C)C(C)C)cc1 ZINC000660919495 482219091 /nfs/dbraw/zinc/21/90/91/482219091.db2.gz YNIZELVICUIOAW-RBUKOAKNSA-N 1 3 334.504 2.793 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@H](O)CN(C)C(C)C)cc1 ZINC000660919495 482219098 /nfs/dbraw/zinc/21/90/98/482219098.db2.gz YNIZELVICUIOAW-RBUKOAKNSA-N 1 3 334.504 2.793 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)c1ccccc1 ZINC000663449858 482244214 /nfs/dbraw/zinc/24/42/14/482244214.db2.gz GLCKLWDYGWJEFM-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000655353550 482278879 /nfs/dbraw/zinc/27/88/79/482278879.db2.gz UHZDFPSUNYGWEB-UHOSZYNNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000655353550 482278885 /nfs/dbraw/zinc/27/88/85/482278885.db2.gz UHZDFPSUNYGWEB-UHOSZYNNSA-N 1 3 333.520 2.774 20 0 EFADHO C[NH+](C)[C@H](CC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000655352075 482279478 /nfs/dbraw/zinc/27/94/78/482279478.db2.gz WHGKYZNWEPUDQU-CEXWTWQISA-N 1 3 329.488 2.813 20 0 EFADHO C[C@H](CCO)N(C)Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CCO)c1 ZINC000649870645 482305943 /nfs/dbraw/zinc/30/59/43/482305943.db2.gz GIZZROZWFCHLQU-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@H](CCO)N(C)Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000649870645 482305945 /nfs/dbraw/zinc/30/59/45/482305945.db2.gz GIZZROZWFCHLQU-HUUCEWRRSA-N 1 3 342.911 2.745 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000661072303 482308687 /nfs/dbraw/zinc/30/86/87/482308687.db2.gz XJYDLRHLPSCTSF-QFBILLFUSA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661072303 482308694 /nfs/dbraw/zinc/30/86/94/482308694.db2.gz XJYDLRHLPSCTSF-QFBILLFUSA-N 1 3 348.535 2.710 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663595925 482314730 /nfs/dbraw/zinc/31/47/30/482314730.db2.gz MROOWPBCLABXRO-INIZCTEOSA-N 1 3 330.476 2.650 20 0 EFADHO CNCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663595925 482314733 /nfs/dbraw/zinc/31/47/33/482314733.db2.gz MROOWPBCLABXRO-INIZCTEOSA-N 1 3 330.476 2.650 20 0 EFADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000661122569 482334698 /nfs/dbraw/zinc/33/46/98/482334698.db2.gz XHXUVCOJCYLTEQ-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000661122569 482334703 /nfs/dbraw/zinc/33/47/03/482334703.db2.gz XHXUVCOJCYLTEQ-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000661241616 482387634 /nfs/dbraw/zinc/38/76/34/482387634.db2.gz CTANGUHEDUYYRT-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cccnc1 ZINC000181414304 533917607 /nfs/dbraw/zinc/91/76/07/533917607.db2.gz ZGJHYBYAGCNQCJ-INIZCTEOSA-N 1 3 325.456 2.889 20 0 EFADHO CC(C)(C)C(=O)N1CCC(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000181714005 518560564 /nfs/dbraw/zinc/56/05/64/518560564.db2.gz YTQHENPEHVLBQD-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000181714005 518560570 /nfs/dbraw/zinc/56/05/70/518560570.db2.gz YTQHENPEHVLBQD-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H](CN3CCCC3)C2)CC1 ZINC000181714005 518560575 /nfs/dbraw/zinc/56/05/75/518560575.db2.gz YTQHENPEHVLBQD-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000263039952 519257233 /nfs/dbraw/zinc/25/72/33/519257233.db2.gz STIXEJCWSRXWSJ-GHTZIAJQSA-N 1 3 343.515 2.847 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)C(C)C ZINC000183183576 519642917 /nfs/dbraw/zinc/64/29/17/519642917.db2.gz WQICHTQLHGDYHB-ROUUACIJSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000193008298 519682524 /nfs/dbraw/zinc/68/25/24/519682524.db2.gz ONLBUXUFISZJLK-HKUYNNGSSA-N 1 3 331.504 2.557 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)CC1 ZINC000236614493 519683390 /nfs/dbraw/zinc/68/33/90/519683390.db2.gz RIGZOSXXIGQZQL-HXUWFJFHSA-N 1 3 344.503 2.545 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000151136944 519862503 /nfs/dbraw/zinc/86/25/03/519862503.db2.gz JIRFRFUTVHXGHS-CMKODMSKSA-N 1 3 330.520 2.614 20 0 EFADHO CCCO[C@@H]1CCC[N@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192737761 520271814 /nfs/dbraw/zinc/27/18/14/520271814.db2.gz OSTQCEGIPVTYNL-LJQANCHMSA-N 1 3 325.541 2.684 20 0 EFADHO CCCO[C@@H]1CCC[N@@H+](CCCN2CCN(C(C)C)CC2)CC1 ZINC000192737761 520271824 /nfs/dbraw/zinc/27/18/24/520271824.db2.gz OSTQCEGIPVTYNL-LJQANCHMSA-N 1 3 325.541 2.684 20 0 EFADHO CCCC[C@@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000236826861 521072494 /nfs/dbraw/zinc/07/24/94/521072494.db2.gz PXQNQZFVOPMQIY-QGZVFWFLSA-N 1 3 333.476 2.926 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)CC2CCC2)CC1 ZINC000067461347 521572009 /nfs/dbraw/zinc/57/20/09/521572009.db2.gz BUVBITCGZDPQSX-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246053251 521656071 /nfs/dbraw/zinc/65/60/71/521656071.db2.gz DQFIRRGIVNYUED-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000246053251 521656073 /nfs/dbraw/zinc/65/60/73/521656073.db2.gz DQFIRRGIVNYUED-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000121342643 521684462 /nfs/dbraw/zinc/68/44/62/521684462.db2.gz KDOZHLLIJFTCJJ-IRXDYDNUSA-N 1 3 349.519 2.628 20 0 EFADHO CCC1(CC)[C@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C[C@H]1OC ZINC000182266614 521699630 /nfs/dbraw/zinc/69/96/30/521699630.db2.gz WZWWRZFCLSNXQH-XUVXKRRUSA-N 1 3 346.515 2.937 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245931237 521805610 /nfs/dbraw/zinc/80/56/10/521805610.db2.gz SKCZSHYYJMPYGV-QXAKKESOSA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000075689202 521905756 /nfs/dbraw/zinc/90/57/56/521905756.db2.gz LFZAQJTUWVJGJY-UHFFFAOYSA-N 1 3 346.519 2.857 20 0 EFADHO CCc1nc2c(s1)[C@@H]([NH2+]CCCN1CCN(CC)CC1)CCC2 ZINC000154275058 522472088 /nfs/dbraw/zinc/47/20/88/522472088.db2.gz KCBDEXBYJDCTBI-HNNXBMFYSA-N 1 3 336.549 2.700 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842428 522676309 /nfs/dbraw/zinc/67/63/09/522676309.db2.gz DTEXHPJGSJXOJX-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CN(CCC(=O)NCc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842428 522676314 /nfs/dbraw/zinc/67/63/14/522676314.db2.gz DTEXHPJGSJXOJX-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000177691233 522856315 /nfs/dbraw/zinc/85/63/15/522856315.db2.gz OEZPRWNJVAONMZ-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000177691233 522856327 /nfs/dbraw/zinc/85/63/27/522856327.db2.gz OEZPRWNJVAONMZ-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000120666953 524024146 /nfs/dbraw/zinc/02/41/46/524024146.db2.gz KEYJWTOGVLREKN-LPHOPBHVSA-N 1 3 332.488 2.922 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000194734199 524199209 /nfs/dbraw/zinc/19/92/09/524199209.db2.gz IJXUDEJUCKKBMY-DMUMMCEESA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@@H]1C ZINC000194734199 524199224 /nfs/dbraw/zinc/19/92/24/524199224.db2.gz IJXUDEJUCKKBMY-DMUMMCEESA-N 1 3 343.515 2.886 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000245634532 524295557 /nfs/dbraw/zinc/29/55/57/524295557.db2.gz BNTGLPOCCKKFLX-NZSAHSFTSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246010645 524348259 /nfs/dbraw/zinc/34/82/59/524348259.db2.gz KHELSQWRAHLPDS-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@H](CN1CCOCC1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246010645 524348268 /nfs/dbraw/zinc/34/82/68/524348268.db2.gz KHELSQWRAHLPDS-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC(C)CC1 ZINC000236657217 524375723 /nfs/dbraw/zinc/37/57/23/524375723.db2.gz XDKIGHNCXDFXIB-GOSISDBHSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000178859833 524826269 /nfs/dbraw/zinc/82/62/69/524826269.db2.gz ARSBKEKWJKBAKQ-MAUKXSAKSA-N 1 3 347.478 2.624 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119486441 524913026 /nfs/dbraw/zinc/91/30/26/524913026.db2.gz QXTJUUJNSJGIME-LFGUQSLTSA-N 1 3 343.515 2.538 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000119486441 524913037 /nfs/dbraw/zinc/91/30/37/524913037.db2.gz QXTJUUJNSJGIME-LFGUQSLTSA-N 1 3 343.515 2.538 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000153619731 524965273 /nfs/dbraw/zinc/96/52/73/524965273.db2.gz DEVKZHRTDXTNHZ-SOLBZPMBSA-N 1 3 329.488 2.720 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@H]2NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000153619731 524965282 /nfs/dbraw/zinc/96/52/82/524965282.db2.gz DEVKZHRTDXTNHZ-SOLBZPMBSA-N 1 3 329.488 2.720 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)CN(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000245852282 525223320 /nfs/dbraw/zinc/22/33/20/525223320.db2.gz MQUKZQZOCUGWHE-DLBZAZTESA-N 1 3 348.535 2.782 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000263118234 525286174 /nfs/dbraw/zinc/28/61/74/525286174.db2.gz ATGHHUYMVTYSHW-FPOVZHCZSA-N 1 3 343.515 2.717 20 0 EFADHO C[C@H](NC1(C[NH2+][C@H]2CCN(C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000153933394 525286250 /nfs/dbraw/zinc/28/62/50/525286250.db2.gz JXYGFRQOFNPCIV-BJLQDIEVSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000262729130 525286562 /nfs/dbraw/zinc/28/65/62/525286562.db2.gz BGZYSHMLBTZYHG-DAYGRLMNSA-N 1 3 335.517 2.909 20 0 EFADHO C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)N1CCCCC1 ZINC000089593212 525533745 /nfs/dbraw/zinc/53/37/45/525533745.db2.gz QGASZJSOJHWJAP-IRXDYDNUSA-N 1 3 347.503 2.679 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000090454630 525581407 /nfs/dbraw/zinc/58/14/07/525581407.db2.gz NJXQWOPPYWAFKP-WMLDXEAASA-N 1 3 328.460 2.558 20 0 EFADHO C[C@@H](N[C@@H](C)C(=O)N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000089593214 525588445 /nfs/dbraw/zinc/58/84/45/525588445.db2.gz QGASZJSOJHWJAP-SJORKVTESA-N 1 3 347.503 2.679 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(OCCN(C)C)cc1 ZINC000090454633 525692201 /nfs/dbraw/zinc/69/22/01/525692201.db2.gz NJXQWOPPYWAFKP-PBHICJAKSA-N 1 3 328.460 2.558 20 0 EFADHO Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N2CCOCC2)cc1 ZINC000192703855 525762210 /nfs/dbraw/zinc/76/22/10/525762210.db2.gz JLXIGMDMBUGWCU-OTYNDTSQSA-N 1 3 343.515 2.583 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)N2CCCC2)cc1 ZINC000237881357 525763870 /nfs/dbraw/zinc/76/38/70/525763870.db2.gz WJPCVEXKVXEORV-QUCCMNQESA-N 1 3 329.488 2.780 20 0 EFADHO C[C@@]1(C(=O)NCc2ccccc2CN2CCCCC2)CCC[NH2+]C1 ZINC000119889602 525804560 /nfs/dbraw/zinc/80/45/60/525804560.db2.gz HQHKOVDCYOMRHD-HXUWFJFHSA-N 1 3 329.488 2.678 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H](C)[NH3+] ZINC000423424749 534899078 /nfs/dbraw/zinc/89/90/78/534899078.db2.gz NOKGOQFJVIRDHV-OHFALNGGSA-N 1 3 337.533 2.867 20 0 EFADHO C[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCCC1 ZINC000090147377 526040939 /nfs/dbraw/zinc/04/09/39/526040939.db2.gz QRZUVSRNYCFUSY-QGZVFWFLSA-N 1 3 344.503 2.679 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237409006 526095744 /nfs/dbraw/zinc/09/57/44/526095744.db2.gz ZODRUDWXLFRLAO-OXQOHEQNSA-N 1 3 329.488 2.860 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000165347324 526246111 /nfs/dbraw/zinc/24/61/11/526246111.db2.gz KACJVINSZTXMFD-XLIONFOSSA-N 1 3 343.515 2.793 20 0 EFADHO Clc1ccc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c(-n2cncn2)c1 ZINC000262037145 526943656 /nfs/dbraw/zinc/94/36/56/526943656.db2.gz XWKVJLQGAGPXMJ-KRWDZBQOSA-N 1 3 345.878 2.885 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)C1CCN(C2CC2)CC1 ZINC000192673245 527525836 /nfs/dbraw/zinc/52/58/36/527525836.db2.gz CXVJTPCOHCJNJJ-UHFFFAOYSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177330956 527526341 /nfs/dbraw/zinc/52/63/41/527526341.db2.gz NYZYXMDNQFMSKD-UHFFFAOYSA-N 1 3 348.535 2.710 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000165949344 527718498 /nfs/dbraw/zinc/71/84/98/527718498.db2.gz ODTQPHKVDIXMLE-YJBOKZPZSA-N 1 3 349.475 2.651 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000191834535 527802459 /nfs/dbraw/zinc/80/24/59/527802459.db2.gz HZNIVATUTZXCOS-HMXCVIKNSA-N 1 3 345.531 2.597 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@H](C)C1 ZINC000191834519 527880695 /nfs/dbraw/zinc/88/06/95/527880695.db2.gz HZNIVATUTZXCOS-NRSPTQNISA-N 1 3 345.531 2.597 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000179641103 528142952 /nfs/dbraw/zinc/14/29/52/528142952.db2.gz NKLJOOVTWUETTN-PMACEKPBSA-N 1 3 346.515 2.937 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)N(C)C ZINC000131517558 528360705 /nfs/dbraw/zinc/36/07/05/528360705.db2.gz RGEQABCZVPFBLT-KRWDZBQOSA-N 1 3 337.533 2.663 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000187014738 528668018 /nfs/dbraw/zinc/66/80/18/528668018.db2.gz CHKRQXZLHOXSRZ-APWZRJJASA-N 1 3 348.487 2.700 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130826331 528808082 /nfs/dbraw/zinc/80/80/82/528808082.db2.gz TXGRIKQYSPILEL-IEBWSBKVSA-N 1 3 331.504 2.838 20 0 EFADHO CC(C)N(C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130826331 528808088 /nfs/dbraw/zinc/80/80/88/528808088.db2.gz TXGRIKQYSPILEL-IEBWSBKVSA-N 1 3 331.504 2.838 20 0 EFADHO CC1(C)CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000174251580 529008789 /nfs/dbraw/zinc/00/87/89/529008789.db2.gz KXOHUDIBFTZKCU-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000154500060 529143857 /nfs/dbraw/zinc/14/38/57/529143857.db2.gz CMLLBJYLGRKQEW-QGZVFWFLSA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000154227156 529144824 /nfs/dbraw/zinc/14/48/24/529144824.db2.gz QUKFBHZNXNRADJ-LJQANCHMSA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](Cc2cccc(C)c2)C2CC2)CC1 ZINC000154321841 529145138 /nfs/dbraw/zinc/14/51/38/529145138.db2.gz FVKQEISHGNCNDW-OAQYLSRUSA-N 1 3 329.532 2.933 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000154227254 529145237 /nfs/dbraw/zinc/14/52/37/529145237.db2.gz QUKFBHZNXNRADJ-IBGZPJMESA-N 1 3 347.503 2.526 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000154325518 529145266 /nfs/dbraw/zinc/14/52/66/529145266.db2.gz NZUJFAYKXXIAIL-QGZVFWFLSA-N 1 3 347.503 2.526 20 0 EFADHO CCCN1CCN(c2ccccc2C[NH2+]CCc2cc(C)no2)CC1 ZINC000353084630 534937371 /nfs/dbraw/zinc/93/73/71/534937371.db2.gz HKRKFSMANLAZLW-UHFFFAOYSA-N 1 3 342.487 2.847 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000433156046 534986445 /nfs/dbraw/zinc/98/64/45/534986445.db2.gz HSBVMCCBHQPVFV-NEWSRXKRSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000360124834 535013586 /nfs/dbraw/zinc/01/35/86/535013586.db2.gz MPYHFLSOTGALPY-QGZVFWFLSA-N 1 3 348.535 2.925 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000360124834 535013589 /nfs/dbraw/zinc/01/35/89/535013589.db2.gz MPYHFLSOTGALPY-QGZVFWFLSA-N 1 3 348.535 2.925 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000347718449 535054825 /nfs/dbraw/zinc/05/48/25/535054825.db2.gz KTGBBACDQJLKFQ-ZWKOTPCHSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418495609 535061902 /nfs/dbraw/zinc/06/19/02/535061902.db2.gz BNZAWEBYAGKQTH-MOPGFXCFSA-N 1 3 342.487 2.854 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000360213635 535149500 /nfs/dbraw/zinc/14/95/00/535149500.db2.gz QHDVVRRMXWKOML-GOSISDBHSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OC(F)F)c2)CC1 ZINC000344633964 535164809 /nfs/dbraw/zinc/16/48/09/535164809.db2.gz WXGKIRMDCJCCBO-UHFFFAOYSA-N 1 3 328.403 2.613 20 0 EFADHO CC(CN(C[C@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000346424673 535176263 /nfs/dbraw/zinc/17/62/63/535176263.db2.gz BKFLIYBOFLWCMT-QZTJIDSGSA-N 1 3 336.520 2.624 20 0 EFADHO CC(CN(C[C@H]1CCOC1)C1CC1)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000346424673 535176271 /nfs/dbraw/zinc/17/62/71/535176271.db2.gz BKFLIYBOFLWCMT-QZTJIDSGSA-N 1 3 336.520 2.624 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418431435 535184700 /nfs/dbraw/zinc/18/47/00/535184700.db2.gz XHRWSORUUHDJGH-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418485342 535220070 /nfs/dbraw/zinc/22/00/70/535220070.db2.gz GYKNFAWKRWUEHP-PKOBYXMFSA-N 1 3 346.519 2.667 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000352819920 535331289 /nfs/dbraw/zinc/33/12/89/535331289.db2.gz ORLJHPHGOJPPSJ-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000352819920 535331293 /nfs/dbraw/zinc/33/12/93/535331293.db2.gz ORLJHPHGOJPPSJ-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000349871132 535331811 /nfs/dbraw/zinc/33/18/11/535331811.db2.gz HJUNKGCBNXBWHU-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000352819921 535332040 /nfs/dbraw/zinc/33/20/40/535332040.db2.gz ORLJHPHGOJPPSJ-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000352819921 535332043 /nfs/dbraw/zinc/33/20/43/535332043.db2.gz ORLJHPHGOJPPSJ-SFHVURJKSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000349098255 535361564 /nfs/dbraw/zinc/36/15/64/535361564.db2.gz NEKXYWAIHALEKZ-LJQANCHMSA-N 1 3 329.488 2.773 20 0 EFADHO CCOc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361347776 535411216 /nfs/dbraw/zinc/41/12/16/535411216.db2.gz YVPWJTYDMURFSP-MRXNPFEDSA-N 1 3 347.503 2.679 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000347781726 535486992 /nfs/dbraw/zinc/48/69/92/535486992.db2.gz VGWFPXIFEXHGIL-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000347781726 535486993 /nfs/dbraw/zinc/48/69/93/535486993.db2.gz VGWFPXIFEXHGIL-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000418333690 535513496 /nfs/dbraw/zinc/51/34/96/535513496.db2.gz SHDMPFBCBZNAJY-GOSISDBHSA-N 1 3 332.492 2.547 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(C)c1 ZINC000349062008 535594675 /nfs/dbraw/zinc/59/46/75/535594675.db2.gz KOQLCHCUMRVPBA-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(C)c1 ZINC000349062008 535594680 /nfs/dbraw/zinc/59/46/80/535594680.db2.gz KOQLCHCUMRVPBA-IBGZPJMESA-N 1 3 333.520 2.852 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000343657476 535611106 /nfs/dbraw/zinc/61/11/06/535611106.db2.gz QMCSKZJJTGSMPA-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N)CCCCC1)Cc1ccccc1 ZINC000236819006 535653097 /nfs/dbraw/zinc/65/30/97/535653097.db2.gz OGPBSBHJGHSFBT-GOSISDBHSA-N 1 3 331.504 2.717 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000427370303 535654155 /nfs/dbraw/zinc/65/41/55/535654155.db2.gz QIVPTFVPFUDPPP-MJGOQNOKSA-N 1 3 331.504 2.966 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N(C)CCN(C)C1CC1)c1ccccc1 ZINC000353016707 535654339 /nfs/dbraw/zinc/65/43/39/535654339.db2.gz FDQTZHTYYYPBQE-IBGZPJMESA-N 1 3 346.519 2.805 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)C1(N)CCCCC1)Cc1ccccc1 ZINC000236873890 535670380 /nfs/dbraw/zinc/67/03/80/535670380.db2.gz OGPBSBHJGHSFBT-SFHVURJKSA-N 1 3 331.504 2.717 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)CC(C)C ZINC000343883573 535673450 /nfs/dbraw/zinc/67/34/50/535673450.db2.gz YWAXZOYZPUPAHN-IXDOHACOSA-N 1 3 326.529 2.525 20 0 EFADHO CCC[C@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCC1 ZINC000414204304 535702422 /nfs/dbraw/zinc/70/24/22/535702422.db2.gz WDLWKOQYYCPQDE-IBGZPJMESA-N 1 3 337.552 2.732 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342720230 535772010 /nfs/dbraw/zinc/77/20/10/535772010.db2.gz GDEZTKGOEFBXRH-DFQSSKMNSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418685126 535772288 /nfs/dbraw/zinc/77/22/88/535772288.db2.gz IDLHAHBOKMUONB-PKOBYXMFSA-N 1 3 346.519 2.667 20 0 EFADHO CCN1C[C@H](C)[C@H]([NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)C1 ZINC000343895105 535781928 /nfs/dbraw/zinc/78/19/28/535781928.db2.gz KKVPAFDNBVBNSJ-LAUBAEHRSA-N 1 3 345.531 2.837 20 0 EFADHO CN(C)CCN(C(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CCCC1 ZINC000418662095 535841957 /nfs/dbraw/zinc/84/19/57/535841957.db2.gz RWTZQKZHRMATSM-IBGZPJMESA-N 1 3 346.519 2.982 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342622904 535871586 /nfs/dbraw/zinc/87/15/86/535871586.db2.gz FVWPHHJIZFJROA-WOJBJXKFSA-N 1 3 345.531 2.848 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000359315238 535889968 /nfs/dbraw/zinc/88/99/68/535889968.db2.gz QTXKMBRAVWMKEW-OALUTQOASA-N 1 3 329.488 2.646 20 0 EFADHO C[NH+](C)CCOC1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000353525074 535892939 /nfs/dbraw/zinc/89/29/39/535892939.db2.gz FOBNCARAYOQMKT-UHFFFAOYSA-N 1 3 331.435 2.917 20 0 EFADHO CC[C@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)[C@H]1CC1(C)C ZINC000414086900 535915132 /nfs/dbraw/zinc/91/51/32/535915132.db2.gz HOUJNUFBUCMTDA-MSOLQXFVSA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000342430327 535920546 /nfs/dbraw/zinc/92/05/46/535920546.db2.gz QMXLONWHSIWZJR-NZSAHSFTSA-N 1 3 347.503 2.707 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000247100581 535943816 /nfs/dbraw/zinc/94/38/16/535943816.db2.gz IKDMSCNXUVTUJO-FUHWJXTLSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000247100581 535943822 /nfs/dbraw/zinc/94/38/22/535943822.db2.gz IKDMSCNXUVTUJO-FUHWJXTLSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000265056825 535965154 /nfs/dbraw/zinc/96/51/54/535965154.db2.gz XVRNNQRWAAKLSZ-GFCCVEGCSA-N 1 3 327.831 2.691 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000265056825 535965157 /nfs/dbraw/zinc/96/51/57/535965157.db2.gz XVRNNQRWAAKLSZ-GFCCVEGCSA-N 1 3 327.831 2.691 20 0 EFADHO CCn1cccc(CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)c1=O ZINC000433087769 536099144 /nfs/dbraw/zinc/09/91/44/536099144.db2.gz BLSGUJAGIIDFRP-MRXNPFEDSA-N 1 3 343.471 2.659 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342833475 536389049 /nfs/dbraw/zinc/38/90/49/536389049.db2.gz BCZVKRMIMHCBRA-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342833475 536389053 /nfs/dbraw/zinc/38/90/53/536389053.db2.gz BCZVKRMIMHCBRA-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412027570 536431941 /nfs/dbraw/zinc/43/19/41/536431941.db2.gz VZADONPUGPACAN-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(CN2CCCCC2)c1 ZINC000412027570 536431945 /nfs/dbraw/zinc/43/19/45/536431945.db2.gz VZADONPUGPACAN-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO CO[C@H](CC(C)C)CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000419206914 536538935 /nfs/dbraw/zinc/53/89/35/536538935.db2.gz NRSPCNSQFAOFAR-OAQYLSRUSA-N 1 3 347.547 2.797 20 0 EFADHO CO[C@H](CC(C)C)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419206914 536538940 /nfs/dbraw/zinc/53/89/40/536538940.db2.gz NRSPCNSQFAOFAR-OAQYLSRUSA-N 1 3 347.547 2.797 20 0 EFADHO CO[C@@H](c1ccccc1)[C@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000343962674 536560359 /nfs/dbraw/zinc/56/03/59/536560359.db2.gz AYWXRBZZHIEPGI-OXJNMPFZSA-N 1 3 343.471 2.888 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000264954067 536572763 /nfs/dbraw/zinc/57/27/63/536572763.db2.gz CNOHYDSUQUXNCB-ZDUSSCGKSA-N 1 3 339.867 2.561 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000264954067 536572766 /nfs/dbraw/zinc/57/27/66/536572766.db2.gz CNOHYDSUQUXNCB-ZDUSSCGKSA-N 1 3 339.867 2.561 20 0 EFADHO COC(=O)[C@H](CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000425425123 536661747 /nfs/dbraw/zinc/66/17/47/536661747.db2.gz OBQLZLPMIXVBLT-GUDVDZBRSA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 ZINC000425425123 536661750 /nfs/dbraw/zinc/66/17/50/536661750.db2.gz OBQLZLPMIXVBLT-GUDVDZBRSA-N 1 3 330.472 2.749 20 0 EFADHO COCCOc1ccc([C@H](C)N[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423272606 536677606 /nfs/dbraw/zinc/67/76/06/536677606.db2.gz JWYVDFOZTQEPOJ-UAGQMJEPSA-N 1 3 336.476 2.889 20 0 EFADHO COC1([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CCCC1 ZINC000421821883 536709161 /nfs/dbraw/zinc/70/91/61/536709161.db2.gz UPSNMZWJJWGKJJ-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO COC1([C@@H](C)NCc2ccncc2OCC[NH+](C)C)CCCCC1 ZINC000421853085 536710546 /nfs/dbraw/zinc/71/05/46/536710546.db2.gz JHAMLVFFMVATSC-MRXNPFEDSA-N 1 3 335.492 2.849 20 0 EFADHO COC[C@H](NCC1(COC)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423405474 536874513 /nfs/dbraw/zinc/87/45/13/536874513.db2.gz JIQUCYYPNMOSKC-INIZCTEOSA-N 1 3 326.868 2.633 20 0 EFADHO COc1ccc(-c2ccccc2C)cc1CNCCN1CC[NH2+]CC1 ZINC000414888597 536897570 /nfs/dbraw/zinc/89/75/70/536897570.db2.gz SICGTNYIHQQJTO-UHFFFAOYSA-N 1 3 339.483 2.665 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1cccs1 ZINC000261810399 545621195 /nfs/dbraw/zinc/62/11/95/545621195.db2.gz RUHKZAYYFBSYFL-OIPACUDHSA-N 1 3 335.517 2.765 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CNC(=O)C2)CC1 ZINC000271183022 545632907 /nfs/dbraw/zinc/63/29/07/545632907.db2.gz LTZKKRAWTKPOEU-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CNC(=O)C2)CC1 ZINC000271183022 545632908 /nfs/dbraw/zinc/63/29/08/545632908.db2.gz LTZKKRAWTKPOEU-UHFFFAOYSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccnn1-c1ccccc1 ZINC000281164203 545659765 /nfs/dbraw/zinc/65/97/65/545659765.db2.gz HGWCGPMLSQKPKH-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281095721 545659817 /nfs/dbraw/zinc/65/98/17/545659817.db2.gz AWBPBSDHXJJJHV-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO COc1ccc(C[NH+]2CCC(CN[C@H](C)c3ncc[nH]3)CC2)cc1 ZINC000285524998 545680167 /nfs/dbraw/zinc/68/01/67/545680167.db2.gz BJVJFYDKQHFEGN-OAHLLOKOSA-N 1 3 328.460 2.981 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H]1C ZINC000333244256 545871665 /nfs/dbraw/zinc/87/16/65/545871665.db2.gz BMKATSFKTFWLGK-WMLDXEAASA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@@H]1C ZINC000333244256 545871671 /nfs/dbraw/zinc/87/16/71/545871671.db2.gz BMKATSFKTFWLGK-WMLDXEAASA-N 1 3 346.475 2.505 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339065895 545922008 /nfs/dbraw/zinc/92/20/08/545922008.db2.gz DBYYASBGRRNPOI-KURKYZTESA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339065895 545922014 /nfs/dbraw/zinc/92/20/14/545922014.db2.gz DBYYASBGRRNPOI-KURKYZTESA-N 1 3 329.488 2.738 20 0 EFADHO COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339065895 545922020 /nfs/dbraw/zinc/92/20/20/545922020.db2.gz DBYYASBGRRNPOI-KURKYZTESA-N 1 3 329.488 2.738 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000339252903 545925113 /nfs/dbraw/zinc/92/51/13/545925113.db2.gz IRLZJISTWPGMQS-SFHVURJKSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000339252903 545925116 /nfs/dbraw/zinc/92/51/16/545925116.db2.gz IRLZJISTWPGMQS-SFHVURJKSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000339270388 545926694 /nfs/dbraw/zinc/92/66/94/545926694.db2.gz LHOQJMNWUNSAIY-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(OCCN(C)C)c1 ZINC000339270388 545926695 /nfs/dbraw/zinc/92/66/95/545926695.db2.gz LHOQJMNWUNSAIY-KRWDZBQOSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000343541067 545957744 /nfs/dbraw/zinc/95/77/44/545957744.db2.gz XITPZFJPJZXJPB-BEFAXECRSA-N 1 3 329.488 2.767 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000343438730 545957858 /nfs/dbraw/zinc/95/78/58/545957858.db2.gz DWFSIMWMDGTMKG-ROUUACIJSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@H]1C[C@@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000343541069 545958322 /nfs/dbraw/zinc/95/83/22/545958322.db2.gz XITPZFJPJZXJPB-HNAYVOBHSA-N 1 3 329.488 2.767 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000352089494 546046344 /nfs/dbraw/zinc/04/63/44/546046344.db2.gz MRJRKQGPCTWTPW-JENIJYKNSA-N 1 3 346.519 2.679 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000352089740 546047300 /nfs/dbraw/zinc/04/73/00/546047300.db2.gz PUGYRXDEMZHEIG-JZXOWHBKSA-N 1 3 334.508 2.707 20 0 EFADHO C[C@H](CCN1CCC(CCCO)CC1)[NH+]1CCC(CCCO)CC1 ZINC000360097023 546123359 /nfs/dbraw/zinc/12/33/59/546123359.db2.gz IKKPQQQTZBPCOJ-GOSISDBHSA-N 1 3 340.552 2.734 20 0 EFADHO C[C@H](CC[NH+]1CCC(CCCO)CC1)N1CCC(CCCO)CC1 ZINC000360097023 546123362 /nfs/dbraw/zinc/12/33/62/546123362.db2.gz IKKPQQQTZBPCOJ-GOSISDBHSA-N 1 3 340.552 2.734 20 0 EFADHO CC(C)N(C)C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000390971009 546163963 /nfs/dbraw/zinc/16/39/63/546163963.db2.gz QZDUDOJEOPHSRI-WOJBJXKFSA-N 1 3 347.547 2.578 20 0 EFADHO O=C1CC2(CN1)CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411296070 546173568 /nfs/dbraw/zinc/17/35/68/546173568.db2.gz FWJJWWFYGVBSLD-UHFFFAOYSA-N 1 3 341.499 2.775 20 0 EFADHO C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cccc(OCC[NH+](C)C)c1 ZINC000414295445 546188263 /nfs/dbraw/zinc/18/82/63/546188263.db2.gz FPVLZKUCVJWEQS-XKQJLSEDSA-N 1 3 342.430 2.826 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414934884 546194804 /nfs/dbraw/zinc/19/48/04/546194804.db2.gz YHGBCFHWEHFVAT-KBRIMQKVSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000414934884 546194808 /nfs/dbraw/zinc/19/48/08/546194808.db2.gz YHGBCFHWEHFVAT-KBRIMQKVSA-N 1 3 337.895 2.937 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417629973 546210115 /nfs/dbraw/zinc/21/01/15/546210115.db2.gz QOFJVPVLZTXKAP-UAGQMJEPSA-N 1 3 332.492 2.685 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccccc1 ZINC000655411403 546437407 /nfs/dbraw/zinc/43/74/07/546437407.db2.gz SLNDPZBMJREHFA-QWFCFKBJSA-N 1 3 329.488 2.575 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)N2CCCC2)cc1 ZINC000655446315 546450450 /nfs/dbraw/zinc/45/04/50/546450450.db2.gz NQSOUUCUJRGOLG-ZJOUEHCJSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655447067 546451058 /nfs/dbraw/zinc/45/10/58/546451058.db2.gz OOPUINQYWXPFEM-OZOXKJRCSA-N 1 3 341.499 2.718 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467881 546457197 /nfs/dbraw/zinc/45/71/97/546457197.db2.gz OTTYFEODWCXVBM-IEBWSBKVSA-N 1 3 349.906 2.620 20 0 EFADHO CCC(CC)[C@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCC1 ZINC000655686423 546532681 /nfs/dbraw/zinc/53/26/81/546532681.db2.gz GRFHDHUBBXITOA-UXHICEINSA-N 1 3 337.552 2.730 20 0 EFADHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)C1 ZINC000655697422 546539247 /nfs/dbraw/zinc/53/92/47/546539247.db2.gz OXCFHCRXFXKMEA-ZHALLVOQSA-N 1 3 337.552 2.586 20 0 EFADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655706247 546542509 /nfs/dbraw/zinc/54/25/09/546542509.db2.gz KEESZKFJWRXHLS-AJYBTWMASA-N 1 3 337.552 2.586 20 0 EFADHO Cc1cc2c(c(C)c1)[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000655712804 546546010 /nfs/dbraw/zinc/54/60/10/546546010.db2.gz VIWAFYBSICRDRZ-IBGZPJMESA-N 1 3 343.515 2.823 20 0 EFADHO Cc1cc2c(c(C)c1)[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000655712805 546546046 /nfs/dbraw/zinc/54/60/46/546546046.db2.gz VIWAFYBSICRDRZ-LJQANCHMSA-N 1 3 343.515 2.823 20 0 EFADHO CN(C)CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000655716348 546547824 /nfs/dbraw/zinc/54/78/24/546547824.db2.gz SJORSQYFHKPNJJ-ZWKOTPCHSA-N 1 3 325.541 2.586 20 0 EFADHO COc1ccc(C[NH+](C)C)cc1NC1CCN(C[C@@H]2CCCO2)CC1 ZINC000655749604 546565275 /nfs/dbraw/zinc/56/52/75/546565275.db2.gz GQLVTCVACFIATQ-SFHVURJKSA-N 1 3 347.503 2.812 20 0 EFADHO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655909320 546633546 /nfs/dbraw/zinc/63/35/46/546633546.db2.gz GTYQZOREYDUXCU-RDJZCZTQSA-N 1 3 346.450 2.610 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655963956 546652850 /nfs/dbraw/zinc/65/28/50/546652850.db2.gz VGBHHVXZAKQMMN-MSOLQXFVSA-N 1 3 336.524 2.615 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000655974847 546656769 /nfs/dbraw/zinc/65/67/69/546656769.db2.gz RGRSYSJIYJIIDN-QZTJIDSGSA-N 1 3 336.524 2.554 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000655974850 546657087 /nfs/dbraw/zinc/65/70/87/546657087.db2.gz RGRSYSJIYJIIDN-ZWKOTPCHSA-N 1 3 336.524 2.554 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)C1=O ZINC000656199062 546719113 /nfs/dbraw/zinc/71/91/13/546719113.db2.gz HCGQWSMCMDFRCI-FSZRXZPDSA-N 1 3 333.451 2.737 20 0 EFADHO O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000656647769 546875467 /nfs/dbraw/zinc/87/54/67/546875467.db2.gz GNIGIDQHIDXWCR-HDICACEKSA-N 1 3 328.456 2.857 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc2c1OCO2 ZINC000656785591 546922891 /nfs/dbraw/zinc/92/28/91/546922891.db2.gz MKQAEYAKARLABQ-MRXNPFEDSA-N 1 3 332.444 2.636 20 0 EFADHO Cc1cc(C)n2c(CN3CCC[C@H](C4CC[NH2+]CC4)C3)cnc2n1 ZINC000656785104 546923176 /nfs/dbraw/zinc/92/31/76/546923176.db2.gz ILKRGMFQMXLSGW-KRWDZBQOSA-N 1 3 327.476 2.558 20 0 EFADHO c1ccc(N2CCOCC2)c(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000656783814 546923444 /nfs/dbraw/zinc/92/34/44/546923444.db2.gz AHKOSNIFMMCZAB-LJQANCHMSA-N 1 3 343.515 2.735 20 0 EFADHO c1[nH]nc(-c2cccnc2)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786468 546924122 /nfs/dbraw/zinc/92/41/22/546924122.db2.gz SWTLEGMYYFRJTR-MRXNPFEDSA-N 1 3 325.460 2.683 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1cccc(OC2CC2)c1F ZINC000657356899 547127589 /nfs/dbraw/zinc/12/75/89/547127589.db2.gz UNXNABMUWWNMDJ-INIZCTEOSA-N 1 3 336.451 2.693 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1cccc(OC2CC2)c1F ZINC000657356899 547127593 /nfs/dbraw/zinc/12/75/93/547127593.db2.gz UNXNABMUWWNMDJ-INIZCTEOSA-N 1 3 336.451 2.693 20 0 EFADHO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCN(C4CCN(C)CC4)C3)cc21 ZINC000657358391 547129268 /nfs/dbraw/zinc/12/92/68/547129268.db2.gz CPAMFKCVUKKGQT-MRXNPFEDSA-N 1 3 326.488 2.734 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cncc(Br)c1C ZINC000657390086 547142129 /nfs/dbraw/zinc/14/21/29/547142129.db2.gz SHRPFGVIXHGCML-CQSZACIVSA-N 1 3 344.297 2.599 20 0 EFADHO COCc1csc(C[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000657400775 547146630 /nfs/dbraw/zinc/14/66/30/547146630.db2.gz NPLYDBKSCPWHDF-MSOLQXFVSA-N 1 3 338.517 2.752 20 0 EFADHO COCc1csc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000657400778 547146707 /nfs/dbraw/zinc/14/67/07/547146707.db2.gz NPLYDBKSCPWHDF-ZWKOTPCHSA-N 1 3 338.517 2.752 20 0 EFADHO COCc1csc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000657400776 547147593 /nfs/dbraw/zinc/14/75/93/547147593.db2.gz NPLYDBKSCPWHDF-QZTJIDSGSA-N 1 3 338.517 2.752 20 0 EFADHO COCc1csc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000657430577 547159872 /nfs/dbraw/zinc/15/98/72/547159872.db2.gz RIWRRPPJIBQHJJ-GOSISDBHSA-N 1 3 346.496 2.751 20 0 EFADHO COCc1csc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000657430577 547159878 /nfs/dbraw/zinc/15/98/78/547159878.db2.gz RIWRRPPJIBQHJJ-GOSISDBHSA-N 1 3 346.496 2.751 20 0 EFADHO FC(F)Cn1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000657613929 547229593 /nfs/dbraw/zinc/22/95/93/547229593.db2.gz XGVPDVCUHKYUBV-UHFFFAOYSA-N 1 3 349.429 2.545 20 0 EFADHO Cn1cnc2cc(C[NH2+]CC3CCN(Cc4ccncc4)CC3)ccc21 ZINC000657613955 547230052 /nfs/dbraw/zinc/23/00/52/547230052.db2.gz YWWRWGGMLGOPQO-UHFFFAOYSA-N 1 3 349.482 2.970 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1 ZINC000657673548 547247411 /nfs/dbraw/zinc/24/74/11/547247411.db2.gz KCMJPQLJJJBIMQ-SFHVURJKSA-N 1 3 344.430 2.859 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@H](CO)CC1CC1)C1CCN(C)CC1 ZINC000657700709 547257241 /nfs/dbraw/zinc/25/72/41/547257241.db2.gz QQLYSSSYQZYPMX-GOSISDBHSA-N 1 3 345.531 2.715 20 0 EFADHO Cc1nn2c(CNCC3CC[NH+](CC4CC4)CC3)c(C)nc2s1 ZINC000657812825 547292782 /nfs/dbraw/zinc/29/27/82/547292782.db2.gz GEOMTOFIDFYIPG-UHFFFAOYSA-N 1 3 333.505 2.619 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(C(F)F)nc1 ZINC000657836317 547299164 /nfs/dbraw/zinc/29/91/64/547299164.db2.gz ROZRYTWMWRZELM-AWEZNQCLSA-N 1 3 326.435 2.697 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000657881915 547309619 /nfs/dbraw/zinc/30/96/19/547309619.db2.gz ZNKYMNMRJYEIAS-QGZVFWFLSA-N 1 3 327.476 2.832 20 0 EFADHO C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000658017692 547337019 /nfs/dbraw/zinc/33/70/19/547337019.db2.gz AEFOUCGUHZZQGG-PKOBYXMFSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@@H](Cn1cncn1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658017692 547337024 /nfs/dbraw/zinc/33/70/24/547337024.db2.gz AEFOUCGUHZZQGG-PKOBYXMFSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@@H](Cn1cncn1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658017692 547337027 /nfs/dbraw/zinc/33/70/27/547337027.db2.gz AEFOUCGUHZZQGG-PKOBYXMFSA-N 1 3 327.476 2.559 20 0 EFADHO CC1(C)[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]2CCO[C@H]21 ZINC000658167482 547378598 /nfs/dbraw/zinc/37/85/98/547378598.db2.gz SIPLWHMOGOLTTH-IPMKNSEASA-N 1 3 329.488 2.697 20 0 EFADHO C[C@H](CCn1cccn1)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168732 547378809 /nfs/dbraw/zinc/37/88/09/547378809.db2.gz YAQCBFUTUPLRNW-QGZVFWFLSA-N 1 3 327.476 2.559 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1 ZINC000671192967 547541342 /nfs/dbraw/zinc/54/13/42/547541342.db2.gz GEVZHTWDLURJBG-UHFFFAOYSA-N 1 3 338.455 2.836 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000671741143 547664188 /nfs/dbraw/zinc/66/41/88/547664188.db2.gz BUNYRHDMLICERN-OAHLLOKOSA-N 1 3 346.475 2.602 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000673557104 547915475 /nfs/dbraw/zinc/91/54/75/547915475.db2.gz UPDOBDZHTXXVBJ-IAGOWNOFSA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673651078 547927156 /nfs/dbraw/zinc/92/71/56/547927156.db2.gz LDVAVOVLOFTMBQ-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000673651078 547927160 /nfs/dbraw/zinc/92/71/60/547927160.db2.gz LDVAVOVLOFTMBQ-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO O=C(N[C@@H]1CCN(CC2CC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000673851864 547972663 /nfs/dbraw/zinc/97/26/63/547972663.db2.gz SJQVNQFDTWIKLL-GOSISDBHSA-N 1 3 348.535 2.567 20 0 EFADHO CC(C)N1CCC[C@@H](N2CCC(C[NH+]3CCCCCC3)CC2)C1=O ZINC000674006239 548006791 /nfs/dbraw/zinc/00/67/91/548006791.db2.gz PRPJDCBTZJHDEU-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO COC[C@H]1CCCN1Cc1cccc(C[N@@H+]2CCC[C@@H]2COC)c1 ZINC000674500212 548100129 /nfs/dbraw/zinc/10/01/29/548100129.db2.gz RQTJKOHDZSMJJD-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO COC[C@H]1CCCN1Cc1cccc(C[N@H+]2CCC[C@@H]2COC)c1 ZINC000674500212 548100130 /nfs/dbraw/zinc/10/01/30/548100130.db2.gz RQTJKOHDZSMJJD-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CC[C@@H](CN1CCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000675176637 548219639 /nfs/dbraw/zinc/21/96/39/548219639.db2.gz HLGBOEDQCPUKEO-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000675176636 548219828 /nfs/dbraw/zinc/21/98/28/548219828.db2.gz HLGBOEDQCPUKEO-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000675200152 548229331 /nfs/dbraw/zinc/22/93/31/548229331.db2.gz PZHXSSVLLGVMKH-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CCC[NH+]1CCC(N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000675734019 548341579 /nfs/dbraw/zinc/34/15/79/548341579.db2.gz VDLPDCQTRHKHAV-GHTZIAJQSA-N 1 3 345.531 2.740 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000675748881 548345139 /nfs/dbraw/zinc/34/51/39/548345139.db2.gz LHONPIWULBEYMM-WTGUMLROSA-N 1 3 339.568 2.691 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675779527 548350803 /nfs/dbraw/zinc/35/08/03/548350803.db2.gz CRGWTWDNBWHQLU-GHTZIAJQSA-N 1 3 345.531 2.729 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCN2Cc3ccccc3C2)[C@@H](C)C1 ZINC000675779527 548350807 /nfs/dbraw/zinc/35/08/07/548350807.db2.gz CRGWTWDNBWHQLU-GHTZIAJQSA-N 1 3 345.531 2.729 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@]2(CO)CCc3ccccc32)cc1 ZINC000676355587 548459419 /nfs/dbraw/zinc/45/94/19/548459419.db2.gz YTYWWRHRSQVHQR-NRFANRHFSA-N 1 3 340.467 2.551 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676541382 548495837 /nfs/dbraw/zinc/49/58/37/548495837.db2.gz CTTBILRSOKVERS-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676541382 548495839 /nfs/dbraw/zinc/49/58/39/548495839.db2.gz CTTBILRSOKVERS-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@](O)(CNCc1ccc(OCC[NH+]2CCCC2)cc1)C(F)(F)F ZINC000677662688 548744171 /nfs/dbraw/zinc/74/41/71/548744171.db2.gz PWVAIYFEABBTCO-INIZCTEOSA-N 1 3 346.393 2.564 20 0 EFADHO C[C@H]1CN(Cc2nccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000678285763 548889859 /nfs/dbraw/zinc/88/98/59/548889859.db2.gz BUWMHAOMNZDLFQ-LAUBAEHRSA-N 1 3 338.499 2.693 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1CCOc2ccccc21 ZINC000678340398 548902760 /nfs/dbraw/zinc/90/27/60/548902760.db2.gz UOXYTEBENZQVCM-CIWUYKSXSA-N 1 3 330.472 2.736 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678598844 548958962 /nfs/dbraw/zinc/95/89/62/548958962.db2.gz OHEDFEQHSBHSRW-IPMKNSEASA-N 1 3 336.426 2.920 20 0 EFADHO C[C@H](NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000678687455 548974531 /nfs/dbraw/zinc/97/45/31/548974531.db2.gz ZACAZSZQGXMIPW-XJKSGUPXSA-N 1 3 344.459 2.563 20 0 EFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@H]3CCC[C@H]3O)CC2)c1C ZINC000680052590 549243016 /nfs/dbraw/zinc/24/30/16/549243016.db2.gz FPYOVJFRZFKRSP-RBUKOAKNSA-N 1 3 325.456 2.887 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267898 549283946 /nfs/dbraw/zinc/28/39/46/549283946.db2.gz DRJOJOGWHHFIOW-SLFFLAALSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680267898 549283948 /nfs/dbraw/zinc/28/39/48/549283948.db2.gz DRJOJOGWHHFIOW-SLFFLAALSA-N 1 3 343.515 2.744 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680267659 549284235 /nfs/dbraw/zinc/28/42/35/549284235.db2.gz ATMXUXSUXKDRHD-XUVXKRRUSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680267659 549284239 /nfs/dbraw/zinc/28/42/39/549284239.db2.gz ATMXUXSUXKDRHD-XUVXKRRUSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1)N1CCCCC1 ZINC000680353657 549303549 /nfs/dbraw/zinc/30/35/49/549303549.db2.gz JWZAURZVJYBPSG-HZPDHXFCSA-N 1 3 328.464 2.577 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+](CCN(C)C)C2CCCC2)cc1 ZINC000681750679 549606675 /nfs/dbraw/zinc/60/66/75/549606675.db2.gz GZTDQWWPPZDTTC-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+](CCN(C)C)C2CCCC2)cc1 ZINC000681750679 549606680 /nfs/dbraw/zinc/60/66/80/549606680.db2.gz GZTDQWWPPZDTTC-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO Cc1ncc([C@@H](C)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)n1 ZINC000682075749 549691801 /nfs/dbraw/zinc/69/18/01/549691801.db2.gz ILGJGZHXWPXMJP-QGZVFWFLSA-N 1 3 345.535 2.504 20 0 EFADHO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(OCCN(C)C)cc2)cc1 ZINC000682420632 549736673 /nfs/dbraw/zinc/73/66/73/549736673.db2.gz JPXYCELQZVIBGX-FQEVSTJZSA-N 1 3 342.483 2.629 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCn1ccccc1=O ZINC000682533262 549760087 /nfs/dbraw/zinc/76/00/87/549760087.db2.gz CKOFAZJHOGTEPI-WGMWDUQUSA-N 1 3 339.483 2.595 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCCn1ccccc1=O ZINC000682533262 549760089 /nfs/dbraw/zinc/76/00/89/549760089.db2.gz CKOFAZJHOGTEPI-WGMWDUQUSA-N 1 3 339.483 2.595 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000683078388 549847663 /nfs/dbraw/zinc/84/76/63/549847663.db2.gz DUENHGXYHGUYPU-MOPGFXCFSA-N 1 3 331.435 2.774 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1 ZINC000683206908 549863454 /nfs/dbraw/zinc/86/34/54/549863454.db2.gz LWEGJJZSQPAIKW-QGZVFWFLSA-N 1 3 326.440 2.590 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000683694282 549931966 /nfs/dbraw/zinc/93/19/66/549931966.db2.gz PDNUIRMYULUMLV-AWEZNQCLSA-N 1 3 344.421 2.717 20 0 EFADHO c1cc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2cn1 ZINC000683773054 549943710 /nfs/dbraw/zinc/94/37/10/549943710.db2.gz UVHCRNRTPQBXFY-QGZVFWFLSA-N 1 3 325.456 2.825 20 0 EFADHO CO[C@@H](c1ccccc1)[C@@H](C)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000683815389 549949900 /nfs/dbraw/zinc/94/99/00/549949900.db2.gz DNOMGDPHUMYTDI-DYESRHJHSA-N 1 3 345.531 2.911 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](NCC1(O)CC[NH+](C(C)C)CC1)CC2 ZINC000684551969 550057601 /nfs/dbraw/zinc/05/76/01/550057601.db2.gz DLSZNLPBPQCJRH-KRWDZBQOSA-N 1 3 348.487 2.516 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(OCCN(C)C)cc1 ZINC000685442917 550152493 /nfs/dbraw/zinc/15/24/93/550152493.db2.gz HURVHDLOHWURNN-HKUYNNGSSA-N 1 3 331.504 2.686 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000685455276 550153858 /nfs/dbraw/zinc/15/38/58/550153858.db2.gz HTCYWIYEXFRISU-IBGZPJMESA-N 1 3 343.515 2.512 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000685929881 550196353 /nfs/dbraw/zinc/19/63/53/550196353.db2.gz BAGNHLSDHIWXCR-SCTDSRPQSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000685929881 550196356 /nfs/dbraw/zinc/19/63/56/550196356.db2.gz BAGNHLSDHIWXCR-SCTDSRPQSA-N 1 3 346.519 2.850 20 0 EFADHO C[NH+]1CCC([C@H]2CCN(Cn3nccc3-c3cccnc3)C2)CC1 ZINC000755779112 575632435 /nfs/dbraw/zinc/63/24/35/575632435.db2.gz IHVLQBYGCMPRQN-SFHVURJKSA-N 1 3 325.460 2.566 20 0 EFADHO C/C(=C\c1ccccc1Cl)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000755862473 575646364 /nfs/dbraw/zinc/64/63/64/575646364.db2.gz PEULZWVHTGEMDZ-CCEZHUSRSA-N 1 3 337.895 2.695 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000757727370 575851722 /nfs/dbraw/zinc/85/17/22/575851722.db2.gz HIRRRJHSFCXOOY-JIZBTBOESA-N 1 3 348.535 2.565 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000758604692 575873916 /nfs/dbraw/zinc/87/39/16/575873916.db2.gz RZQMQMYOBXYMPI-FQEVSTJZSA-N 1 3 346.446 2.763 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763758878 576396666 /nfs/dbraw/zinc/39/66/66/576396666.db2.gz HVDKFAILQDOULN-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000763758878 576396668 /nfs/dbraw/zinc/39/66/68/576396668.db2.gz HVDKFAILQDOULN-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc2c(c1)nccc2N1CCC([N@H+](C)CCCO)CC1 ZINC000765506748 577048050 /nfs/dbraw/zinc/04/80/50/577048050.db2.gz QJZZZLWXWCDBFL-UHFFFAOYSA-N 1 3 329.444 2.526 20 0 EFADHO COc1ccc2c(c1)nccc2N1CCC([N@@H+](C)CCCO)CC1 ZINC000765506748 577048051 /nfs/dbraw/zinc/04/80/51/577048051.db2.gz QJZZZLWXWCDBFL-UHFFFAOYSA-N 1 3 329.444 2.526 20 0 EFADHO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C1(C)C ZINC000765813785 577079904 /nfs/dbraw/zinc/07/99/04/577079904.db2.gz VMDQLDQBLXORSW-MOPGFXCFSA-N 1 3 337.552 2.727 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000765817000 577080353 /nfs/dbraw/zinc/08/03/53/577080353.db2.gz ZRHPZJCLWGHOKK-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765878217 577084569 /nfs/dbraw/zinc/08/45/69/577084569.db2.gz YTMYLPNOVMSGIN-QWHCGFSZSA-N 1 3 346.443 2.675 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925862 577243014 /nfs/dbraw/zinc/24/30/14/577243014.db2.gz GIGMOGABFXFWKV-PMACEKPBSA-N 1 3 325.456 2.702 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=S)NCCN(C)C)c2)CC1 ZINC000769555142 577372212 /nfs/dbraw/zinc/37/22/12/577372212.db2.gz RSDJJTNGNXCIQN-UHFFFAOYSA-N 1 3 348.560 2.809 20 0 EFADHO CCCCCCN(C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771825165 581247931 /nfs/dbraw/zinc/24/79/31/581247931.db2.gz XUXBPESBCAGSEF-UHFFFAOYSA-N 1 3 346.519 2.926 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033387 581389809 /nfs/dbraw/zinc/38/98/09/581389809.db2.gz SLSAHNAGRMYHEI-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000773033387 581389810 /nfs/dbraw/zinc/38/98/10/581389810.db2.gz SLSAHNAGRMYHEI-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cnc(C)s2)[C@@H](C)C1 ZINC000773084402 581395227 /nfs/dbraw/zinc/39/52/27/581395227.db2.gz ZAUFKJCLGZUUAV-YOEHRIQHSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2cnc(C)s2)[C@@H](C)C1 ZINC000773084402 581395229 /nfs/dbraw/zinc/39/52/29/581395229.db2.gz ZAUFKJCLGZUUAV-YOEHRIQHSA-N 1 3 325.522 2.721 20 0 EFADHO CCN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000774271348 581488554 /nfs/dbraw/zinc/48/85/54/581488554.db2.gz ITSHRRFNJODCKU-CTXDPNEZSA-N 1 3 328.504 2.866 20 0 EFADHO CCN1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000774271348 581488555 /nfs/dbraw/zinc/48/85/55/581488555.db2.gz ITSHRRFNJODCKU-CTXDPNEZSA-N 1 3 328.504 2.866 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C=C(C1CC1)C1CC1 ZINC000725717342 581505950 /nfs/dbraw/zinc/50/59/50/581505950.db2.gz KGIDUNIFCIRKBW-SFHVURJKSA-N 1 3 333.520 2.607 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)C=C(C1CC1)C1CC1 ZINC000725717342 581505951 /nfs/dbraw/zinc/50/59/51/581505951.db2.gz KGIDUNIFCIRKBW-SFHVURJKSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000736197711 599338256 /nfs/dbraw/zinc/33/82/56/599338256.db2.gz OCEYXROWNJZOHW-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000736197711 599338258 /nfs/dbraw/zinc/33/82/58/599338258.db2.gz OCEYXROWNJZOHW-AWEZNQCLSA-N 1 3 328.464 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CCCC1CCC1 ZINC001104732323 1249443755 /nfs/dbraw/zinc/44/37/55/1249443755.db2.gz TUBJPQZVMCAXSJ-NVXWUHKLSA-N 1 3 332.492 2.607 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001481683269 1249909960 /nfs/dbraw/zinc/90/99/60/1249909960.db2.gz QCGUPUQFSJDWQZ-OALUTQOASA-N 1 3 333.520 2.728 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])C(C)(C)C)c(C)c2)CC1 ZINC000327015853 1247775970 /nfs/dbraw/zinc/77/59/70/1247775970.db2.gz GVQNIGOOTALXDE-GOSISDBHSA-N 1 3 346.519 2.839 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]CCCN2CCC(C)CC2)CC1 ZINC000850422183 1250479941 /nfs/dbraw/zinc/47/99/41/1250479941.db2.gz IDIAMDDWSKUMBP-UHFFFAOYSA-N 1 3 325.497 2.755 20 0 EFADHO c1cc(CN2CCC(C[NH2+]C3CCC4(CC3)OCCO4)CC2)ccn1 ZINC000850517202 1250516794 /nfs/dbraw/zinc/51/67/94/1250516794.db2.gz UVDUOZXUFXVSBI-UHFFFAOYSA-N 1 3 345.487 2.569 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000850546498 1250530437 /nfs/dbraw/zinc/53/04/37/1250530437.db2.gz KFASRFLSOMTJPO-IPMKNSEASA-N 1 3 345.487 2.717 20 0 EFADHO COC(=O)N(C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000850546498 1250530441 /nfs/dbraw/zinc/53/04/41/1250530441.db2.gz KFASRFLSOMTJPO-IPMKNSEASA-N 1 3 345.487 2.717 20 0 EFADHO O=C1NCCCN1c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000850576653 1250545225 /nfs/dbraw/zinc/54/52/25/1250545225.db2.gz MVTIWRSCTREYME-UHFFFAOYSA-N 1 3 342.487 2.570 20 0 EFADHO C[C@@H](CN(C)C(=O)OC(C)(C)C)NC1CC[NH+](CC2CC2)CC1 ZINC000850579730 1250548525 /nfs/dbraw/zinc/54/85/25/1250548525.db2.gz YZYIIRNEEKGCGU-AWEZNQCLSA-N 1 3 325.497 2.706 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3NCCc4ccccc43)cc21 ZINC000851636263 1251155349 /nfs/dbraw/zinc/15/53/49/1251155349.db2.gz QNOFWDRWYVGBRY-WIYYLYMNSA-N 1 3 349.478 2.682 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711335440 1251342949 /nfs/dbraw/zinc/34/29/49/1251342949.db2.gz AHEAXWADDPGMFI-YFVAEKQCSA-N 1 3 341.499 2.642 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003941109 1265564505 /nfs/dbraw/zinc/56/45/05/1265564505.db2.gz UWAXUJTXFTYQEL-WMZOPIPTSA-N 1 3 341.515 2.970 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC(F)(F)CN2)CC1 ZINC000717524837 1251367551 /nfs/dbraw/zinc/36/75/51/1251367551.db2.gz WXBRGGBBYDTFON-GOSISDBHSA-N 1 3 337.458 2.828 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CC(F)(F)CN2)CC1 ZINC000717524837 1251367566 /nfs/dbraw/zinc/36/75/66/1251367566.db2.gz WXBRGGBBYDTFON-GOSISDBHSA-N 1 3 337.458 2.828 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001752807522 1251443904 /nfs/dbraw/zinc/44/39/04/1251443904.db2.gz IDUSOBKYWWVYGY-HYHHROLSSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2)C1 ZINC000724032733 1251530034 /nfs/dbraw/zinc/53/00/34/1251530034.db2.gz WGKBCKKORBPVJV-CVEARBPZSA-N 1 3 325.497 2.755 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797013 1251756313 /nfs/dbraw/zinc/75/63/13/1251756313.db2.gz KZWHASWWYSCUKF-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797013 1251756319 /nfs/dbraw/zinc/75/63/19/1251756319.db2.gz KZWHASWWYSCUKF-TZMCWYRMSA-N 1 3 347.286 2.665 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCNCc1ccc(Cl)c(F)c1)[NH+](C)C ZINC001691565182 1251777935 /nfs/dbraw/zinc/77/79/35/1251777935.db2.gz RZSWWTQQRPVCEH-MRXNPFEDSA-N 1 3 343.874 2.613 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001484059631 1252123936 /nfs/dbraw/zinc/12/39/36/1252123936.db2.gz WFZGAWGNSARJOV-GOSISDBHSA-N 1 3 349.544 2.787 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@]1(C)CCN([C@H]2CCc3c2cccc3F)C1 ZINC001484059493 1252124011 /nfs/dbraw/zinc/12/40/11/1252124011.db2.gz SUJXOUCSLZOIBO-AZUAARDMSA-N 1 3 347.478 2.735 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001003967218 1265630180 /nfs/dbraw/zinc/63/01/80/1265630180.db2.gz JNVOUCMYEUWIRY-NVAPOSRTSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C/C=C\c3ccccc3)CC2)C1 ZINC001003967218 1265630193 /nfs/dbraw/zinc/63/01/93/1265630193.db2.gz JNVOUCMYEUWIRY-NVAPOSRTSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001484056792 1252136133 /nfs/dbraw/zinc/13/61/33/1252136133.db2.gz CINDENSNAOJSQC-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968670 1265634074 /nfs/dbraw/zinc/63/40/74/1265634074.db2.gz SNFQFQQRFNOOQP-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968670 1265634080 /nfs/dbraw/zinc/63/40/80/1265634080.db2.gz SNFQFQQRFNOOQP-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@](C)(C[NH2+]CC3CC3)C2)c1 ZINC001484126004 1252305682 /nfs/dbraw/zinc/30/56/82/1252305682.db2.gz RUPJGWYDTKNXNH-HXUWFJFHSA-N 1 3 329.488 2.600 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC001106910513 1252413716 /nfs/dbraw/zinc/41/37/16/1252413716.db2.gz BHRSZAOSXOETEG-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807440 1252765424 /nfs/dbraw/zinc/76/54/24/1252765424.db2.gz ZKYINXCQCVOEMK-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807440 1252765427 /nfs/dbraw/zinc/76/54/27/1252765427.db2.gz ZKYINXCQCVOEMK-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001484724507 1252808766 /nfs/dbraw/zinc/80/87/66/1252808766.db2.gz WSYUDLRIVUOFPB-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)CC1 ZINC001484727693 1252818420 /nfs/dbraw/zinc/81/84/20/1252818420.db2.gz UFTULQTUYUOHRJ-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001484727693 1252818427 /nfs/dbraw/zinc/81/84/27/1252818427.db2.gz UFTULQTUYUOHRJ-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001484743618 1252851993 /nfs/dbraw/zinc/85/19/93/1252851993.db2.gz DNWZWERAQSDYAJ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCCN(C)Cc1cnccc1C ZINC001484743618 1252852001 /nfs/dbraw/zinc/85/20/01/1252852001.db2.gz DNWZWERAQSDYAJ-LJQANCHMSA-N 1 3 346.519 2.545 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001484745498 1252856945 /nfs/dbraw/zinc/85/69/45/1252856945.db2.gz HWUMTYVHYVWUIY-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001484745498 1252856951 /nfs/dbraw/zinc/85/69/51/1252856951.db2.gz HWUMTYVHYVWUIY-UHFFFAOYSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC[NH+](CC2CCCCCC2)CC1 ZINC001004051760 1265816592 /nfs/dbraw/zinc/81/65/92/1265816592.db2.gz AZAGUIKBWZNIAT-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)s1 ZINC001410467748 1265851398 /nfs/dbraw/zinc/85/13/98/1265851398.db2.gz ANNUJIGMFCTDQA-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccc(Cl)s1 ZINC001410467748 1265851408 /nfs/dbraw/zinc/85/14/08/1265851408.db2.gz ANNUJIGMFCTDQA-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)cnc1Cl ZINC000922386592 1265899024 /nfs/dbraw/zinc/89/90/24/1265899024.db2.gz GLZBJVOWPZUOIX-CBZIJGRNSA-N 1 3 337.895 2.613 20 0 EFADHO Cc1cc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cnc1Cl ZINC000922386592 1265899027 /nfs/dbraw/zinc/89/90/27/1265899027.db2.gz GLZBJVOWPZUOIX-CBZIJGRNSA-N 1 3 337.895 2.613 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995799412 1254710271 /nfs/dbraw/zinc/71/02/71/1254710271.db2.gz RVSRNLKBUWTFRR-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1 ZINC000995873038 1254805958 /nfs/dbraw/zinc/80/59/58/1254805958.db2.gz PNHGSPYNMGMQCL-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CCc3ccccc3)C(C)(C)C2)CCC1 ZINC000995883697 1254830533 /nfs/dbraw/zinc/83/05/33/1254830533.db2.gz FCRJTICSGZCARS-SFHVURJKSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cc3)C(C)(C)C2)CCC1 ZINC000995886976 1254835427 /nfs/dbraw/zinc/83/54/27/1254835427.db2.gz MNHFXFIDDZQNRR-KRWDZBQOSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)N(C)C ZINC000995928215 1254847909 /nfs/dbraw/zinc/84/79/09/1254847909.db2.gz SOPGRJBKWLIIOB-ROUUACIJSA-N 1 3 349.494 2.739 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CC1 ZINC000995907920 1254852250 /nfs/dbraw/zinc/85/22/50/1254852250.db2.gz XMHOIFWUAGPCPR-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2csc(C)c2)C(C)(C)C1)N(C)C ZINC000995944397 1254860271 /nfs/dbraw/zinc/86/02/71/1254860271.db2.gz BWQMPPWQHSHDNH-HZPDHXFCSA-N 1 3 337.533 2.723 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@@H](CC)N(C)C)CC1(C)C ZINC000995948366 1254863241 /nfs/dbraw/zinc/86/32/41/1254863241.db2.gz KUVLFLAPONFOFK-MOPGFXCFSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1)N(C)C ZINC000995950640 1254876949 /nfs/dbraw/zinc/87/69/49/1254876949.db2.gz OZLGJQHABGAGFQ-QZTJIDSGSA-N 1 3 349.494 2.823 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1)N(C)C ZINC000996249718 1255126979 /nfs/dbraw/zinc/12/69/79/1255126979.db2.gz SOPGRJBKWLIIOB-QZTJIDSGSA-N 1 3 349.494 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2cccc(F)c2)C(C)(C)C1 ZINC000996300104 1255184359 /nfs/dbraw/zinc/18/43/59/1255184359.db2.gz KABRZPIBLDGCST-CRAIPNDOSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000996300046 1255184515 /nfs/dbraw/zinc/18/45/15/1255184515.db2.gz JEMDECDEVDNDQL-AEFFLSMTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996300449 1255184896 /nfs/dbraw/zinc/18/48/96/1255184896.db2.gz MLBCPZLPMLURQM-GOEBONIOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000996300049 1255185030 /nfs/dbraw/zinc/18/50/30/1255185030.db2.gz JEMDECDEVDNDQL-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000996299995 1255185421 /nfs/dbraw/zinc/18/54/21/1255185421.db2.gz IEYGZJYYXYCFNQ-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C(C)(C)C1)N(C)C ZINC000996313804 1255196604 /nfs/dbraw/zinc/19/66/04/1255196604.db2.gz FZADPMFFPBYJKA-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000996315095 1255198076 /nfs/dbraw/zinc/19/80/76/1255198076.db2.gz MFDXBZYTRLHMRI-ZWKOTPCHSA-N 1 3 331.504 2.662 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(CF)cc2)C(C)(C)C1)N(C)C ZINC000996315414 1255198127 /nfs/dbraw/zinc/19/81/27/1255198127.db2.gz OZLGJQHABGAGFQ-ROUUACIJSA-N 1 3 349.494 2.823 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(C)c(F)c2)C(C)(C)C1)N(C)C ZINC000996316066 1255198218 /nfs/dbraw/zinc/19/82/18/1255198218.db2.gz WJFDMTCXCUDMMY-ROUUACIJSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353873 1255240639 /nfs/dbraw/zinc/24/06/39/1255240639.db2.gz DRAANGVNJPSYQM-GOSISDBHSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353874 1255240820 /nfs/dbraw/zinc/24/08/20/1255240820.db2.gz DRAANGVNJPSYQM-SFHVURJKSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c(C)c1 ZINC000996353684 1255240884 /nfs/dbraw/zinc/24/08/84/1255240884.db2.gz CEULEAWKYBHOMV-SFHVURJKSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC000996353560 1255240916 /nfs/dbraw/zinc/24/09/16/1255240916.db2.gz AORLBLYGAAASBO-QAPCUYQASA-N 1 3 340.471 2.848 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1C ZINC000996666997 1255684917 /nfs/dbraw/zinc/68/49/17/1255684917.db2.gz VHHFESKYQJDWLR-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cs1 ZINC000996667099 1255685294 /nfs/dbraw/zinc/68/52/94/1255685294.db2.gz SIMXTVXSHAIEHN-UHFFFAOYSA-N 1 3 335.517 2.621 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccccc3Cl)CC2)CCC1 ZINC000996666995 1255685661 /nfs/dbraw/zinc/68/56/61/1255685661.db2.gz RKSGXDHJELEILO-UHFFFAOYSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1cccc(F)c1 ZINC000996664957 1255700083 /nfs/dbraw/zinc/70/00/83/1255700083.db2.gz NIQNLTPEXDVOAS-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC000996669266 1255713386 /nfs/dbraw/zinc/71/33/86/1255713386.db2.gz GKLYHASXPXORIC-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996672658 1255721199 /nfs/dbraw/zinc/72/11/99/1255721199.db2.gz QHSIFNFPNQJZLB-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996675807 1255723169 /nfs/dbraw/zinc/72/31/69/1255723169.db2.gz IIEHYORYVRCPGZ-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1)C1CC1 ZINC000996678927 1255730547 /nfs/dbraw/zinc/73/05/47/1255730547.db2.gz OXAARQQVEKZCRW-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)c1 ZINC000996688986 1255747843 /nfs/dbraw/zinc/74/78/43/1255747843.db2.gz QBNLBOYKJSZXTB-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC000996689107 1255748118 /nfs/dbraw/zinc/74/81/18/1255748118.db2.gz STWUAWJAOJNMRH-IBGZPJMESA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1)N(C)C ZINC000996711040 1255804979 /nfs/dbraw/zinc/80/49/79/1255804979.db2.gz IORVBYOFHCEZCE-RBUKOAKNSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC000996712455 1255817082 /nfs/dbraw/zinc/81/70/82/1255817082.db2.gz PFISQRRZZCMPGE-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439059 1255822546 /nfs/dbraw/zinc/82/25/46/1255822546.db2.gz PYORYNJZYRQZIC-SZVBFZGTSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439059 1255822557 /nfs/dbraw/zinc/82/25/57/1255822557.db2.gz PYORYNJZYRQZIC-SZVBFZGTSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)N(C)C ZINC001107444383 1255832594 /nfs/dbraw/zinc/83/25/94/1255832594.db2.gz DYWUEUFNHJDLAK-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)N(C)C ZINC001107444383 1255832608 /nfs/dbraw/zinc/83/26/08/1255832608.db2.gz DYWUEUFNHJDLAK-WSTZPKSXSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001107455128 1255868416 /nfs/dbraw/zinc/86/84/16/1255868416.db2.gz YXENYXMIZIQAGZ-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107455128 1255868425 /nfs/dbraw/zinc/86/84/25/1255868425.db2.gz YXENYXMIZIQAGZ-YLJYHZDGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485065 1255951864 /nfs/dbraw/zinc/95/18/64/1255951864.db2.gz IAAWMRWVYKBNMR-SVFBPWRDSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485065 1255951878 /nfs/dbraw/zinc/95/18/78/1255951878.db2.gz IAAWMRWVYKBNMR-SVFBPWRDSA-N 1 3 347.547 2.878 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107615461 1256304271 /nfs/dbraw/zinc/30/42/71/1256304271.db2.gz BRHPYGIYTFUSSQ-LCNOEYSYSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2 ZINC001107615461 1256304276 /nfs/dbraw/zinc/30/42/76/1256304276.db2.gz BRHPYGIYTFUSSQ-LCNOEYSYSA-N 1 3 341.927 2.832 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC(C)C1)CC2 ZINC001107621799 1256319768 /nfs/dbraw/zinc/31/97/68/1256319768.db2.gz WWORWAMUUPHMSR-AVMBEGOGSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC(C)C1)CC2 ZINC001107621799 1256319771 /nfs/dbraw/zinc/31/97/71/1256319771.db2.gz WWORWAMUUPHMSR-AVMBEGOGSA-N 1 3 344.503 2.668 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000325434837 1256454147 /nfs/dbraw/zinc/45/41/47/1256454147.db2.gz BEPXZBGVBXHGQC-OTWHNJEPSA-N 1 3 329.488 2.847 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996966118 1256582649 /nfs/dbraw/zinc/58/26/49/1256582649.db2.gz QBNLBOYKJSZXTB-LJQANCHMSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996966914 1256583747 /nfs/dbraw/zinc/58/37/47/1256583747.db2.gz XKWOZYWAWYFIBW-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)c1 ZINC000997003013 1256661722 /nfs/dbraw/zinc/66/17/22/1256661722.db2.gz YLFDOFARXQYRRW-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000997003128 1256661834 /nfs/dbraw/zinc/66/18/34/1256661834.db2.gz YRGLNWWOMKWVRY-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000997003136 1256661873 /nfs/dbraw/zinc/66/18/73/1256661873.db2.gz YRGLNWWOMKWVRY-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000997005174 1256666404 /nfs/dbraw/zinc/66/64/04/1256666404.db2.gz HLYNGWSNDFDNQV-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2F)CC1)N(C)C ZINC000997015957 1256690479 /nfs/dbraw/zinc/69/04/79/1256690479.db2.gz SFCJMAHVFLRGTR-KDOFPFPSSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(Cl)cc1 ZINC000997036625 1256721601 /nfs/dbraw/zinc/72/16/01/1256721601.db2.gz ORLWYXUCNHAIGW-ZDUSSCGKSA-N 1 3 346.862 2.947 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997039098 1256724955 /nfs/dbraw/zinc/72/49/55/1256724955.db2.gz ACFPWZZHTGORCB-UHFFFAOYSA-N 1 3 340.471 2.856 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000997041364 1256727729 /nfs/dbraw/zinc/72/77/29/1256727729.db2.gz JHKIEGFAWWHSDC-UHFFFAOYSA-N 1 3 348.450 2.886 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(F)cc3)CC2)CC1 ZINC000997114494 1256939493 /nfs/dbraw/zinc/93/94/93/1256939493.db2.gz DBEHXKRZGYOWTE-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)cc1 ZINC000997115569 1256954688 /nfs/dbraw/zinc/95/46/88/1256954688.db2.gz NUIGSIMZTRISDK-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]Cc3ccccc3F)CC2)CC1 ZINC000997115614 1256954974 /nfs/dbraw/zinc/95/49/74/1256954974.db2.gz ORBZNLBGABIOKQ-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032400309 1257089606 /nfs/dbraw/zinc/08/96/06/1257089606.db2.gz CFTCWLJVZYMUPV-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032400309 1257089613 /nfs/dbraw/zinc/08/96/13/1257089613.db2.gz CFTCWLJVZYMUPV-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032405210 1257123432 /nfs/dbraw/zinc/12/34/32/1257123432.db2.gz CRYYPDVBJFSSLS-HOJAQTOUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032405210 1257123435 /nfs/dbraw/zinc/12/34/35/1257123435.db2.gz CRYYPDVBJFSSLS-HOJAQTOUSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032406442 1257127053 /nfs/dbraw/zinc/12/70/53/1257127053.db2.gz ZYBSFDQTAQGVGB-IHPCNDPISA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1CN2CCC1CC1 ZINC001032406442 1257127055 /nfs/dbraw/zinc/12/70/55/1257127055.db2.gz ZYBSFDQTAQGVGB-IHPCNDPISA-N 1 3 345.531 2.726 20 0 EFADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001032405960 1257130843 /nfs/dbraw/zinc/13/08/43/1257130843.db2.gz TYHJWKMGGMTUBN-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001032405960 1257130850 /nfs/dbraw/zinc/13/08/50/1257130850.db2.gz TYHJWKMGGMTUBN-NEWSRXKRSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1 ZINC000997332135 1257379051 /nfs/dbraw/zinc/37/90/51/1257379051.db2.gz DYZMRSBJPBAGBO-AEFFLSMTSA-N 1 3 341.515 2.826 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)c(Cl)c1 ZINC000997304219 1257384159 /nfs/dbraw/zinc/38/41/59/1257384159.db2.gz YZXIYKVCVAQIFO-UHFFFAOYSA-N 1 3 349.906 2.825 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000997307049 1257385879 /nfs/dbraw/zinc/38/58/79/1257385879.db2.gz MOAGMBVOCSMUCZ-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000997307375 1257386346 /nfs/dbraw/zinc/38/63/46/1257386346.db2.gz PEVXEUNIWJMMIQ-HNNXBMFYSA-N 1 3 333.451 2.563 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1F ZINC000997306638 1257386372 /nfs/dbraw/zinc/38/63/72/1257386372.db2.gz HGYQKWLBXDTCCD-OAHLLOKOSA-N 1 3 333.451 2.563 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000997306287 1257386469 /nfs/dbraw/zinc/38/64/69/1257386469.db2.gz BKMJILKSYBKZIT-ROUUACIJSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC000997366372 1257455837 /nfs/dbraw/zinc/45/58/37/1257455837.db2.gz DOELQMNOINYHKD-GOSISDBHSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1)C1CC1 ZINC001032445384 1257482071 /nfs/dbraw/zinc/48/20/71/1257482071.db2.gz DQYKIRAMGZMZFR-FHWLQOOXSA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1)C1CC1 ZINC001032445384 1257482076 /nfs/dbraw/zinc/48/20/76/1257482076.db2.gz DQYKIRAMGZMZFR-FHWLQOOXSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032442954 1257492478 /nfs/dbraw/zinc/49/24/78/1257492478.db2.gz JXMVGXZHTHVDGQ-FHWLQOOXSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032442954 1257492481 /nfs/dbraw/zinc/49/24/81/1257492481.db2.gz JXMVGXZHTHVDGQ-FHWLQOOXSA-N 1 3 347.547 2.686 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032456924 1257522956 /nfs/dbraw/zinc/52/29/56/1257522956.db2.gz YMEGRAMMLSZCKV-QYZOEREBSA-N 1 3 345.531 2.726 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC2(CCC2)C1 ZINC001032456924 1257522959 /nfs/dbraw/zinc/52/29/59/1257522959.db2.gz YMEGRAMMLSZCKV-QYZOEREBSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC2(CC2)CC1)N(C)C ZINC001032459407 1257530201 /nfs/dbraw/zinc/53/02/01/1257530201.db2.gz BFPVJZOVAJUBKW-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC2(CC2)CC1)N(C)C ZINC001032459407 1257530206 /nfs/dbraw/zinc/53/02/06/1257530206.db2.gz BFPVJZOVAJUBKW-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO C[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c[nH+]cc2c1 ZINC001032498809 1257940764 /nfs/dbraw/zinc/94/07/64/1257940764.db2.gz JXFYAAHUAIFXDE-YSSFQJQWSA-N 1 3 346.434 2.994 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997611894 1258109992 /nfs/dbraw/zinc/10/99/92/1258109992.db2.gz FEIPMOZRMODLJC-QHZJYWCMSA-N 1 3 341.927 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CCN(C/C=C\Cl)CC1 ZINC000997611894 1258109996 /nfs/dbraw/zinc/10/99/96/1258109996.db2.gz FEIPMOZRMODLJC-QHZJYWCMSA-N 1 3 341.927 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCCCCC2)CC1 ZINC000997612568 1258110557 /nfs/dbraw/zinc/11/05/57/1258110557.db2.gz IXWGAKNBHRNDTB-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000997611372 1258113787 /nfs/dbraw/zinc/11/37/87/1258113787.db2.gz DLIKAIAEHNLNAH-WOJBJXKFSA-N 1 3 341.499 2.596 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000997611371 1258113826 /nfs/dbraw/zinc/11/38/26/1258113826.db2.gz DLIKAIAEHNLNAH-VQTJNVASSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)s1 ZINC000997614645 1258118327 /nfs/dbraw/zinc/11/83/27/1258118327.db2.gz RMBNNXNWGSXZAH-SFHVURJKSA-N 1 3 349.544 2.787 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001203459716 1258133945 /nfs/dbraw/zinc/13/39/45/1258133945.db2.gz IKPZIYHAIDYLIC-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001032537967 1258269323 /nfs/dbraw/zinc/26/93/23/1258269323.db2.gz JLONBGCOYBZOET-SLFFLAALSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCN(Cc2ccsc2)CC1 ZINC000997737906 1258328375 /nfs/dbraw/zinc/32/83/75/1258328375.db2.gz ZVTNSSYBOFKLTC-HNNXBMFYSA-N 1 3 349.544 2.807 20 0 EFADHO CN(C)C1(C(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)CCC1 ZINC000997824152 1258495634 /nfs/dbraw/zinc/49/56/34/1258495634.db2.gz QQSWRUSXYPVDMO-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000997854435 1258533360 /nfs/dbraw/zinc/53/33/60/1258533360.db2.gz DHZBADVMEDXIHA-JKSUJKDBSA-N 1 3 345.478 2.590 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]CCc1cccs1 ZINC001168607162 1258597864 /nfs/dbraw/zinc/59/78/64/1258597864.db2.gz QMUOUPWYYFVCTF-UHFFFAOYSA-N 1 3 339.549 2.899 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464130 1258719009 /nfs/dbraw/zinc/71/90/09/1258719009.db2.gz LHFOFPHSTIMEFW-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001040464130 1258719014 /nfs/dbraw/zinc/71/90/14/1258719014.db2.gz LHFOFPHSTIMEFW-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001114998917 1258720660 /nfs/dbraw/zinc/72/06/60/1258720660.db2.gz ZFYMTAJHJVEVSK-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001114998917 1258720665 /nfs/dbraw/zinc/72/06/65/1258720665.db2.gz ZFYMTAJHJVEVSK-DZFIZOCASA-N 1 3 335.536 2.591 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032581223 1258762388 /nfs/dbraw/zinc/76/23/88/1258762388.db2.gz NHIFZBMYMLGZNK-QYZOEREBSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CC2CC(C)(C)C2)C1 ZINC001032581223 1258762395 /nfs/dbraw/zinc/76/23/95/1258762395.db2.gz NHIFZBMYMLGZNK-QYZOEREBSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1cccc(C[NH+]2CCC(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC001004204012 1266214993 /nfs/dbraw/zinc/21/49/93/1266214993.db2.gz NTFVBKDJQHOPBZ-HDICACEKSA-N 1 3 343.515 2.948 20 0 EFADHO CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCCC1 ZINC001115729658 1258953809 /nfs/dbraw/zinc/95/38/09/1258953809.db2.gz OMEBBTCMMVZBAK-GOSISDBHSA-N 1 3 327.488 2.628 20 0 EFADHO COCCC1([NH3+])CCN([C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001168612884 1258960055 /nfs/dbraw/zinc/96/00/55/1258960055.db2.gz CZBGBKJUJIYMGU-PKOBYXMFSA-N 1 3 348.487 2.745 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC000998048322 1259015458 /nfs/dbraw/zinc/01/54/58/1259015458.db2.gz TWOZREHPISIJBD-GOSISDBHSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC000998083029 1259085772 /nfs/dbraw/zinc/08/57/72/1259085772.db2.gz SWGCBNZDGPBXRC-QGZVFWFLSA-N 1 3 333.520 2.657 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1 ZINC000998083720 1259087109 /nfs/dbraw/zinc/08/71/09/1259087109.db2.gz XMVDBWDLTAVMMT-QGZVFWFLSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000998083742 1259087556 /nfs/dbraw/zinc/08/75/56/1259087556.db2.gz XPPWPAFQVLCZPU-GOSISDBHSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC000998085965 1259090394 /nfs/dbraw/zinc/09/03/94/1259090394.db2.gz LKGLTUIKOAANFG-IBGZPJMESA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)CC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004206451 1266233709 /nfs/dbraw/zinc/23/37/09/1266233709.db2.gz LQZCEXPILLMTKQ-UHFFFAOYSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCCc2cccc(C)c2)C1)N(C)C ZINC001409959005 1266234590 /nfs/dbraw/zinc/23/45/90/1266234590.db2.gz IDCDTMNBUIIOGO-PXNSSMCTSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC000998118904 1259128840 /nfs/dbraw/zinc/12/88/40/1259128840.db2.gz KBLGKFXOAOUHAP-OAHLLOKOSA-N 1 3 326.444 2.542 20 0 EFADHO CC[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602878 1259157550 /nfs/dbraw/zinc/15/75/50/1259157550.db2.gz FVQAIQVACPXHOH-UFYCRDLUSA-N 1 3 341.499 2.765 20 0 EFADHO CC[NH2+][C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C(F)(F)F ZINC000998263876 1259337680 /nfs/dbraw/zinc/33/76/80/1259337680.db2.gz YKAGOTGCDIHGGF-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000998270562 1259350559 /nfs/dbraw/zinc/35/05/59/1259350559.db2.gz VDGXTJGMGUSBKW-UHFFFAOYSA-N 1 3 349.906 2.764 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1 ZINC001032626936 1259425522 /nfs/dbraw/zinc/42/55/22/1259425522.db2.gz OYZWCXZGSHOLIX-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001032626936 1259425526 /nfs/dbraw/zinc/42/55/26/1259425526.db2.gz OYZWCXZGSHOLIX-WDSOQIARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032628243 1259431220 /nfs/dbraw/zinc/43/12/20/1259431220.db2.gz URBHFYMFJNHLFL-NEWSRXKRSA-N 1 3 331.504 2.504 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2=CCCCC2)C1 ZINC001032628243 1259431221 /nfs/dbraw/zinc/43/12/21/1259431221.db2.gz URBHFYMFJNHLFL-NEWSRXKRSA-N 1 3 331.504 2.504 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000998548941 1259674354 /nfs/dbraw/zinc/67/43/54/1259674354.db2.gz JCADTGWKXFNDCA-AFMYVXGZSA-N 1 3 341.499 2.737 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000998548403 1259675319 /nfs/dbraw/zinc/67/53/19/1259675319.db2.gz HOONGULFRSERGC-ORHYLEIMSA-N 1 3 341.908 2.575 20 0 EFADHO C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001036580154 1259733587 /nfs/dbraw/zinc/73/35/87/1259733587.db2.gz XYQFWHIDKCIOLL-YJBOKZPZSA-N 1 3 344.503 2.749 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH]cn1 ZINC001036580095 1259733784 /nfs/dbraw/zinc/73/37/84/1259733784.db2.gz XEFRWTVCBQJZQG-APWZRJJASA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998732008 1259883439 /nfs/dbraw/zinc/88/34/39/1259883439.db2.gz QAZMQHTUOMYKJL-CRAIPNDOSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC000711020392 1259928429 /nfs/dbraw/zinc/92/84/29/1259928429.db2.gz GGQPPJNOENOURQ-WDSOQIARSA-N 1 3 329.488 2.627 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999147097 1260252636 /nfs/dbraw/zinc/25/26/36/1260252636.db2.gz ZYYKMVJGILRJOY-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC000999147097 1260252643 /nfs/dbraw/zinc/25/26/43/1260252643.db2.gz ZYYKMVJGILRJOY-IEBWSBKVSA-N 1 3 347.478 2.779 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001032664013 1260353907 /nfs/dbraw/zinc/35/39/07/1260353907.db2.gz NMBOIEGIPMCXAR-FHWLQOOXSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCN1C(C)C ZINC001032664013 1260353914 /nfs/dbraw/zinc/35/39/14/1260353914.db2.gz NMBOIEGIPMCXAR-FHWLQOOXSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032663949 1260354237 /nfs/dbraw/zinc/35/42/37/1260354237.db2.gz KBQZTVLLSRCCGN-BZSNNMDCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032663949 1260354244 /nfs/dbraw/zinc/35/42/44/1260354244.db2.gz KBQZTVLLSRCCGN-BZSNNMDCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032663949 1260354250 /nfs/dbraw/zinc/35/42/50/1260354250.db2.gz KBQZTVLLSRCCGN-BZSNNMDCSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCC(C)(C)C ZINC001032663949 1260354256 /nfs/dbraw/zinc/35/42/56/1260354256.db2.gz KBQZTVLLSRCCGN-BZSNNMDCSA-N 1 3 335.536 2.971 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCc4ccccc43)C2)CCC1 ZINC000999347259 1260550803 /nfs/dbraw/zinc/55/08/03/1260550803.db2.gz HYKHDMDNQNXVJC-PKOBYXMFSA-N 1 3 341.499 2.739 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC000999347335 1260551275 /nfs/dbraw/zinc/55/12/75/1260551275.db2.gz JMRJPRYCQSOCQI-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999348716 1260552425 /nfs/dbraw/zinc/55/24/25/1260552425.db2.gz PARJFYQMEJPLLT-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999350609 1260553477 /nfs/dbraw/zinc/55/34/77/1260553477.db2.gz YVRIFRWGXYZFQO-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC000999350764 1260553694 /nfs/dbraw/zinc/55/36/94/1260553694.db2.gz BECWNZHRKZDOFB-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC000999351623 1260555120 /nfs/dbraw/zinc/55/51/20/1260555120.db2.gz FNZJMWQXXVHXSX-KRWDZBQOSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999377647 1260561187 /nfs/dbraw/zinc/56/11/87/1260561187.db2.gz WPPASOGOFOVTHL-MJGOQNOKSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000999379460 1260561854 /nfs/dbraw/zinc/56/18/54/1260561854.db2.gz YSNAPYYOBNZSET-WOJBJXKFSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999379415 1260562012 /nfs/dbraw/zinc/56/20/12/1260562012.db2.gz YOWKKPPKDQHWCZ-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999379419 1260562571 /nfs/dbraw/zinc/56/25/71/1260562571.db2.gz YOWKKPPKDQHWCZ-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999363128 1260565881 /nfs/dbraw/zinc/56/58/81/1260565881.db2.gz CEBWINTWVJZMTD-RBUKOAKNSA-N 1 3 347.478 2.555 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000999365188 1260567618 /nfs/dbraw/zinc/56/76/18/1260567618.db2.gz PXRPOKXCWAVIFH-YLJYHZDGSA-N 1 3 341.499 2.739 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999366187 1260568092 /nfs/dbraw/zinc/56/80/92/1260568092.db2.gz VSFJXFZSPOUGAX-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999369987 1260571081 /nfs/dbraw/zinc/57/10/81/1260571081.db2.gz KVOSYSGCJQZORW-OALUTQOASA-N 1 3 347.478 2.555 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1)C1CC1 ZINC000999371995 1260572744 /nfs/dbraw/zinc/57/27/44/1260572744.db2.gz NUQAOXYOFGUSPM-AEFFLSMTSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000999404415 1260598061 /nfs/dbraw/zinc/59/80/61/1260598061.db2.gz WHJZOSFTZOOCQF-UHFFFAOYSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC000999406893 1260601021 /nfs/dbraw/zinc/60/10/21/1260601021.db2.gz BOMXSXYUGFLSOF-IPJUCJBFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC000999406209 1260601208 /nfs/dbraw/zinc/60/12/08/1260601208.db2.gz NSEBIVKJSPRRPS-ZLPCBKJTSA-N 1 3 347.478 2.697 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]Cc2ccsc2)C1 ZINC000999408564 1260602515 /nfs/dbraw/zinc/60/25/15/1260602515.db2.gz LOFLNVQKJHPPDS-UHFFFAOYSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999426474 1260616315 /nfs/dbraw/zinc/61/63/15/1260616315.db2.gz YDHIMEWBLQQXQC-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H]([NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC000999474034 1260664647 /nfs/dbraw/zinc/66/46/47/1260664647.db2.gz PTPWIGSQOYUAPM-VJFUWPCTSA-N 1 3 344.434 2.822 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999473416 1260664833 /nfs/dbraw/zinc/66/48/33/1260664833.db2.gz MYXJXLYPPAJEGV-MXWWQKGMSA-N 1 3 326.444 2.601 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999474132 1260666677 /nfs/dbraw/zinc/66/66/77/1260666677.db2.gz RCCOKWRUMPYIGR-HJOIGYKYSA-N 1 3 340.471 2.909 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000999475222 1260666833 /nfs/dbraw/zinc/66/68/33/1260666833.db2.gz URYIJMXMCKSNEY-UHFFFAOYSA-N 1 3 338.455 2.609 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c1 ZINC000999474133 1260667240 /nfs/dbraw/zinc/66/72/40/1260667240.db2.gz RCCOKWRUMPYIGR-KLHKWILBSA-N 1 3 340.471 2.909 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC000999496791 1260685838 /nfs/dbraw/zinc/68/58/38/1260685838.db2.gz PGRGDBJJABJMCZ-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1)N(C)C ZINC000999488515 1260711562 /nfs/dbraw/zinc/71/15/62/1260711562.db2.gz FRPUKUIWRBJYCZ-ZWKOTPCHSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC000999489336 1260712330 /nfs/dbraw/zinc/71/23/30/1260712330.db2.gz KVCVZTLYNKRIDE-VQTJNVASSA-N 1 3 343.515 2.985 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999490139 1260713127 /nfs/dbraw/zinc/71/31/27/1260713127.db2.gz PJQWGPOINSXEPF-VQTJNVASSA-N 1 3 345.531 2.712 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]Cc3ccc(F)cc3)C2)CC1 ZINC000999596973 1260761077 /nfs/dbraw/zinc/76/10/77/1260761077.db2.gz COCVZZKCAQUTCW-UHFFFAOYSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001033068882 1266358240 /nfs/dbraw/zinc/35/82/40/1266358240.db2.gz FRUBJPNLYVIEKC-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001033068882 1266358254 /nfs/dbraw/zinc/35/82/54/1266358254.db2.gz FRUBJPNLYVIEKC-PMACEKPBSA-N 1 3 343.515 2.901 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000999832790 1260945368 /nfs/dbraw/zinc/94/53/68/1260945368.db2.gz IPPHYXZWRZXPHG-UHFFFAOYSA-N 1 3 341.908 2.576 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000999834106 1260946001 /nfs/dbraw/zinc/94/60/01/1260946001.db2.gz RHLKDCSIUIOPHQ-UHFFFAOYSA-N 1 3 335.879 2.515 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC000999876303 1260964571 /nfs/dbraw/zinc/96/45/71/1260964571.db2.gz LQSNSLNJUOEFMQ-ACBHZAAOSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033071257 1266380684 /nfs/dbraw/zinc/38/06/84/1266380684.db2.gz YJMAWPHITMTUMN-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033071257 1266380697 /nfs/dbraw/zinc/38/06/97/1266380697.db2.gz YJMAWPHITMTUMN-MSOLQXFVSA-N 1 3 335.536 2.828 20 0 EFADHO COc1ccc([C@H]2C[C@H]([N@@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644347 1261180518 /nfs/dbraw/zinc/18/05/18/1261180518.db2.gz QUOKAQBUDXHCOZ-AJYBTWMASA-N 1 3 330.472 2.799 20 0 EFADHO COc1ccc([C@H]2C[C@H]([N@H+]3C[C@H]4CCN(C)C[C@H]4C3)CCO2)cc1 ZINC001168644347 1261180523 /nfs/dbraw/zinc/18/05/23/1261180523.db2.gz QUOKAQBUDXHCOZ-AJYBTWMASA-N 1 3 330.472 2.799 20 0 EFADHO CC1=CC[C@H](CC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1(C)C ZINC001272862959 1261187989 /nfs/dbraw/zinc/18/79/89/1261187989.db2.gz RTSRZDCZIIFAAU-GUDVDZBRSA-N 1 3 347.547 2.996 20 0 EFADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1(C)C ZINC001272862959 1261187992 /nfs/dbraw/zinc/18/79/92/1261187992.db2.gz RTSRZDCZIIFAAU-GUDVDZBRSA-N 1 3 347.547 2.996 20 0 EFADHO CC1=CC[C@H](CC[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863337 1261190047 /nfs/dbraw/zinc/19/00/47/1261190047.db2.gz XLZXXPVZSRNVPY-WIYYLYMNSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=CC[C@H](CC[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863337 1261190049 /nfs/dbraw/zinc/19/00/49/1261190049.db2.gz XLZXXPVZSRNVPY-WIYYLYMNSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=CC[C@@H](CC[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863334 1261190491 /nfs/dbraw/zinc/19/04/91/1261190491.db2.gz XLZXXPVZSRNVPY-GHTZIAJQSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863334 1261190497 /nfs/dbraw/zinc/19/04/97/1261190497.db2.gz XLZXXPVZSRNVPY-GHTZIAJQSA-N 1 3 347.547 2.855 20 0 EFADHO C[C@H](NC(=O)CN(C)C1CCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001409945565 1261280006 /nfs/dbraw/zinc/28/00/06/1261280006.db2.gz ZYFXGTCGNXDHMU-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cnn(CC3CCC3)c2)[C@@H](C)C1 ZINC000921747449 1261355576 /nfs/dbraw/zinc/35/55/76/1261355576.db2.gz OVNXIWAYKJKPEP-FXAWDEMLSA-N 1 3 348.535 2.910 20 0 EFADHO C[C@H]1Cc2cc(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)ccc2O1 ZINC000921753729 1261364746 /nfs/dbraw/zinc/36/47/46/1261364746.db2.gz FHARGAGZVZNIBS-DOTOQJQBSA-N 1 3 330.472 2.601 20 0 EFADHO CCCN(C[C@H](O)COc1c(C)ccc(C)c1C)C1CC[NH2+]CC1 ZINC000923328958 1261465047 /nfs/dbraw/zinc/46/50/47/1261465047.db2.gz YUFVCTMHRCWSRR-IBGZPJMESA-N 1 3 334.504 2.816 20 0 EFADHO CCC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)C1CCNCC1 ZINC000923328958 1261465052 /nfs/dbraw/zinc/46/50/52/1261465052.db2.gz YUFVCTMHRCWSRR-IBGZPJMESA-N 1 3 334.504 2.816 20 0 EFADHO CCC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)C1CCNCC1 ZINC000923328958 1261465055 /nfs/dbraw/zinc/46/50/55/1261465055.db2.gz YUFVCTMHRCWSRR-IBGZPJMESA-N 1 3 334.504 2.816 20 0 EFADHO NC1(C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCC1 ZINC000923330920 1261468064 /nfs/dbraw/zinc/46/80/64/1261468064.db2.gz DFAIKQDACVNKAV-GOSISDBHSA-N 1 3 326.440 2.564 20 0 EFADHO O[C@H](CN1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1Cl ZINC000923356002 1261552365 /nfs/dbraw/zinc/55/23/65/1261552365.db2.gz CZTODPHHCMQRDK-SUMWQHHRSA-N 1 3 326.843 2.834 20 0 EFADHO C[C@@H]1CCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000923376592 1261577102 /nfs/dbraw/zinc/57/71/02/1261577102.db2.gz ZSMJAYJUIBIDAG-SNPRPXQTSA-N 1 3 330.394 2.526 20 0 EFADHO Cc1cccc([C@H](C)[NH+]2CCC(N(C)C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001006067385 1261585294 /nfs/dbraw/zinc/58/52/94/1261585294.db2.gz VLQNMYHCQKHRLC-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000923393343 1261599172 /nfs/dbraw/zinc/59/91/72/1261599172.db2.gz OWFKCDYTUPKAHM-IXDOHACOSA-N 1 3 337.467 2.967 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001006083637 1261664084 /nfs/dbraw/zinc/66/40/84/1261664084.db2.gz LGFVZQYEHVKUBS-LJQANCHMSA-N 1 3 335.536 2.972 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946901734 1261672014 /nfs/dbraw/zinc/67/20/14/1261672014.db2.gz DHWNIVOFBRHQAH-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2CC1 ZINC000946901734 1261672020 /nfs/dbraw/zinc/67/20/20/1261672020.db2.gz DHWNIVOFBRHQAH-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCC2)c1 ZINC001032800173 1261764249 /nfs/dbraw/zinc/76/42/49/1261764249.db2.gz YGQIXUKYTVJZRD-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCC2)c1 ZINC001032800173 1261764254 /nfs/dbraw/zinc/76/42/54/1261764254.db2.gz YGQIXUKYTVJZRD-PMACEKPBSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)OCC[NH+]1CCC(NCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000921809582 1261771102 /nfs/dbraw/zinc/77/11/02/1261771102.db2.gz IYESAIRUMFETSD-INIZCTEOSA-N 1 3 332.488 2.989 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000923490554 1261771490 /nfs/dbraw/zinc/77/14/90/1261771490.db2.gz HDWJNMFAKZSEPL-JXFKEZNVSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493418 1261778050 /nfs/dbraw/zinc/77/80/50/1261778050.db2.gz UUDFEDPKQBALEE-NEPJUHHUSA-N 1 3 345.365 2.583 20 0 EFADHO CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923504051 1261800118 /nfs/dbraw/zinc/80/01/18/1261800118.db2.gz SWQDRDONFUNHAR-XLIONFOSSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)[C@@H](C)C1 ZINC000947979445 1261837128 /nfs/dbraw/zinc/83/71/28/1261837128.db2.gz GVHRKGVGTXRPCM-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H](C)C1 ZINC000947979445 1261837132 /nfs/dbraw/zinc/83/71/32/1261837132.db2.gz GVHRKGVGTXRPCM-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000947981290 1261930307 /nfs/dbraw/zinc/93/03/07/1261930307.db2.gz UUOZREZXCFLPPC-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000947981290 1261930316 /nfs/dbraw/zinc/93/03/16/1261930316.db2.gz UUOZREZXCFLPPC-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001078796144 1262329048 /nfs/dbraw/zinc/32/90/48/1262329048.db2.gz WWPMBAGMAYYNJN-ROUUACIJSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001078796376 1262329220 /nfs/dbraw/zinc/32/92/20/1262329220.db2.gz ZGOZUIUPZBQJDV-QZTJIDSGSA-N 1 3 344.503 2.858 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001485919842 1262500286 /nfs/dbraw/zinc/50/02/86/1262500286.db2.gz NAKNYCBWGVYHDG-FXKMFSNRSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)NC/C=C\Cl ZINC001485922717 1262503134 /nfs/dbraw/zinc/50/31/34/1262503134.db2.gz PXJYXICKMIJUEB-NVWZYQMFSA-N 1 3 337.895 2.593 20 0 EFADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001485925743 1262505747 /nfs/dbraw/zinc/50/57/47/1262505747.db2.gz FNQFMBVKSBLGCI-RDJZCZTQSA-N 1 3 340.471 2.509 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001485938724 1262538122 /nfs/dbraw/zinc/53/81/22/1262538122.db2.gz ROWUSVSXKZUPOP-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C[C@@H]1C ZINC001486128737 1262661795 /nfs/dbraw/zinc/66/17/95/1262661795.db2.gz LLNYUNMEGVWGBH-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(CC)cc2)C[C@@H]1C ZINC001486131619 1262664333 /nfs/dbraw/zinc/66/43/33/1262664333.db2.gz WMEWKNJPRRYQTI-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C[C@@H]1C ZINC001486127558 1262704229 /nfs/dbraw/zinc/70/42/29/1262704229.db2.gz FVEZUKKGJZRXFI-WMLDXEAASA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001486220195 1262823429 /nfs/dbraw/zinc/82/34/29/1262823429.db2.gz YEDIZTHJZBFBIG-WMZOPIPTSA-N 1 3 335.467 2.542 20 0 EFADHO COc1ccc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)c(C)c1 ZINC000921858346 1262901466 /nfs/dbraw/zinc/90/14/66/1262901466.db2.gz DZCWRCBXZGLJSS-WOJBJXKFSA-N 1 3 332.488 2.861 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)c(C)s1 ZINC001082560302 1263221174 /nfs/dbraw/zinc/22/11/74/1263221174.db2.gz MZZFJXKYDJZNSS-NXOUGTEYSA-N 1 3 349.544 2.642 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC001082559675 1263221475 /nfs/dbraw/zinc/22/14/75/1263221475.db2.gz MBRNCHONJASKGV-XWIAVFTESA-N 1 3 349.906 2.617 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C)c1ccc(F)cc1 ZINC001082557499 1263221552 /nfs/dbraw/zinc/22/15/52/1263221552.db2.gz JDTHBWUDIQDKML-RVKKMQEKSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C)c1ccc(F)cc1 ZINC001082561795 1263223265 /nfs/dbraw/zinc/22/32/65/1263223265.db2.gz QYDIMXDIBKIFSZ-SPYBWZPUSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC001082561628 1263223892 /nfs/dbraw/zinc/22/38/92/1263223892.db2.gz GGCYQOOYIOFDQV-CDHQVMDDSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001082562169 1263224319 /nfs/dbraw/zinc/22/43/19/1263224319.db2.gz TXQUSMGAJQTZAM-MBOZVWFJSA-N 1 3 343.515 2.977 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001082747524 1263292125 /nfs/dbraw/zinc/29/21/25/1263292125.db2.gz YDKAKHOWAVSOCT-XYPHTWIQSA-N 1 3 337.895 2.617 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001082724310 1263303726 /nfs/dbraw/zinc/30/37/26/1263303726.db2.gz WZYIZYMQIMIALT-NSISKUIASA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001082724885 1263303840 /nfs/dbraw/zinc/30/38/40/1263303840.db2.gz SRRRCNWAIQDEJA-KBAYOESNSA-N 1 3 335.536 2.589 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1F ZINC001082724720 1263303864 /nfs/dbraw/zinc/30/38/64/1263303864.db2.gz DPMBJSAZZMPHMU-ATZDWAIDSA-N 1 3 349.494 2.657 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001082741367 1263314819 /nfs/dbraw/zinc/31/48/19/1263314819.db2.gz YTDJUKBSMRKCRE-ZIFCJYIRSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC001082742373 1263315166 /nfs/dbraw/zinc/31/51/66/1263315166.db2.gz CCULBNXGAUBUBI-IIDMSEBBSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C)c1ccccc1 ZINC001082743195 1263316769 /nfs/dbraw/zinc/31/67/69/1263316769.db2.gz NAFUZNYOGOPNPQ-ZIFCJYIRSA-N 1 3 343.515 2.916 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001082941810 1263423687 /nfs/dbraw/zinc/42/36/87/1263423687.db2.gz NHTBBFLTRKWPRB-ATZDWAIDSA-N 1 3 347.478 2.637 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001082942014 1263425109 /nfs/dbraw/zinc/42/51/09/1263425109.db2.gz ZCMQWIIDIXPTKY-RLLQIKCJSA-N 1 3 343.515 2.806 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccsc2)C1 ZINC001082943557 1263425507 /nfs/dbraw/zinc/42/55/07/1263425507.db2.gz NZJSQPDEUYRMDK-DJIMGWMZSA-N 1 3 335.517 2.559 20 0 EFADHO c1cc(-c2noc(C[C@@H]3CSCCN3)n2)ccc1C[NH+]1CCCC1 ZINC000843174201 1263797204 /nfs/dbraw/zinc/79/72/04/1263797204.db2.gz WHSOVVBOSGTOBI-MRXNPFEDSA-N 1 3 344.484 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21 ZINC001084338544 1263833147 /nfs/dbraw/zinc/83/31/47/1263833147.db2.gz VJEWWLWSJHRYIQ-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001084338544 1263833167 /nfs/dbraw/zinc/83/31/67/1263833167.db2.gz VJEWWLWSJHRYIQ-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084344855 1263839957 /nfs/dbraw/zinc/83/99/57/1263839957.db2.gz JNECGHGIFLMBLT-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084344855 1263839964 /nfs/dbraw/zinc/83/99/64/1263839964.db2.gz JNECGHGIFLMBLT-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084421905 1263896735 /nfs/dbraw/zinc/89/67/35/1263896735.db2.gz DWROIACIARDUTQ-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084421905 1263896755 /nfs/dbraw/zinc/89/67/55/1263896755.db2.gz DWROIACIARDUTQ-VAMGGRTRSA-N 1 3 341.499 2.594 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405587 1263915584 /nfs/dbraw/zinc/91/55/84/1263915584.db2.gz UPGQDMMMWWOQEC-GUDVDZBRSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405587 1263915591 /nfs/dbraw/zinc/91/55/91/1263915591.db2.gz UPGQDMMMWWOQEC-GUDVDZBRSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N1CCCC1 ZINC001084571853 1264033499 /nfs/dbraw/zinc/03/34/99/1264033499.db2.gz IMIDRYVZASZETN-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N1CCCC1 ZINC001084571853 1264033508 /nfs/dbraw/zinc/03/35/08/1264033508.db2.gz IMIDRYVZASZETN-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001002791426 1264079307 /nfs/dbraw/zinc/07/93/07/1264079307.db2.gz IIJNJSLYARWHHE-SFHVURJKSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001002791425 1264079588 /nfs/dbraw/zinc/07/95/88/1264079588.db2.gz IIJNJSLYARWHHE-GOSISDBHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001002791405 1264080251 /nfs/dbraw/zinc/08/02/51/1264080251.db2.gz HSEXWNHLLWHJLO-GOSISDBHSA-N 1 3 349.544 2.744 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333889 1264090081 /nfs/dbraw/zinc/09/00/81/1264090081.db2.gz ZTESMVJDLLZQNL-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001016333889 1264090089 /nfs/dbraw/zinc/09/00/89/1264090089.db2.gz ZTESMVJDLLZQNL-LJQANCHMSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001084638381 1264112425 /nfs/dbraw/zinc/11/24/25/1264112425.db2.gz AEZIJDBOKFVCEY-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001084638381 1264112429 /nfs/dbraw/zinc/11/24/29/1264112429.db2.gz AEZIJDBOKFVCEY-GUDVDZBRSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1nc2cc(C)ccc2s1)N(C)C ZINC001166865141 1264164221 /nfs/dbraw/zinc/16/42/21/1264164221.db2.gz AWPJDYSWFFWOII-HNNXBMFYSA-N 1 3 348.516 2.541 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)CC[N@@H+]1C ZINC001002851926 1264180413 /nfs/dbraw/zinc/18/04/13/1264180413.db2.gz LXUAHYXQVUSBPF-JWLNDWNSSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(C/C=C/c3ccccc3)CC2)CC[N@H+]1C ZINC001002851926 1264180417 /nfs/dbraw/zinc/18/04/17/1264180417.db2.gz LXUAHYXQVUSBPF-JWLNDWNSSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC[N@@H+]1C ZINC001002853173 1264184234 /nfs/dbraw/zinc/18/42/34/1264184234.db2.gz UHONSKUBDUPICG-DNVCBOLYSA-N 1 3 347.478 2.577 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(CF)cc3)CC2)CC[N@H+]1C ZINC001002853173 1264184237 /nfs/dbraw/zinc/18/42/37/1264184237.db2.gz UHONSKUBDUPICG-DNVCBOLYSA-N 1 3 347.478 2.577 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001002955389 1264355137 /nfs/dbraw/zinc/35/51/37/1264355137.db2.gz MJUJBKFAQRSOGZ-SFHVURJKSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972780 1264485726 /nfs/dbraw/zinc/48/57/26/1264485726.db2.gz WYZLDJZTGNFPMX-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972780 1264485727 /nfs/dbraw/zinc/48/57/27/1264485727.db2.gz WYZLDJZTGNFPMX-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[N@H+](CC4CCC4)C[C@H]32)c1 ZINC001084850187 1264536662 /nfs/dbraw/zinc/53/66/62/1264536662.db2.gz OJEKSXRCQMAQFJ-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3CC[N@@H+](CC4CCC4)C[C@H]32)c1 ZINC001084850187 1264536667 /nfs/dbraw/zinc/53/66/67/1264536667.db2.gz OJEKSXRCQMAQFJ-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCc3cccnc3CC2)C[C@@H](C)O1 ZINC000421847668 1264597671 /nfs/dbraw/zinc/59/76/71/1264597671.db2.gz YBJSYWGKENUUQP-ZHALLVOQSA-N 1 3 331.504 2.808 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001273239560 1264599108 /nfs/dbraw/zinc/59/91/08/1264599108.db2.gz QOGNOXQFLNBLBD-NRFANRHFSA-N 1 3 341.499 2.550 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001273239560 1264599116 /nfs/dbraw/zinc/59/91/16/1264599116.db2.gz QOGNOXQFLNBLBD-NRFANRHFSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084939037 1264711397 /nfs/dbraw/zinc/71/13/97/1264711397.db2.gz PMWIMKJFSSKCSM-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084939037 1264711402 /nfs/dbraw/zinc/71/14/02/1264711402.db2.gz PMWIMKJFSSKCSM-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084938899 1264712975 /nfs/dbraw/zinc/71/29/75/1264712975.db2.gz KEPVWJHISBYFSE-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084938899 1264712984 /nfs/dbraw/zinc/71/29/84/1264712984.db2.gz KEPVWJHISBYFSE-QYZOEREBSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004365266 1266771476 /nfs/dbraw/zinc/77/14/76/1266771476.db2.gz DNEIXMABSDTXJU-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004365266 1266771481 /nfs/dbraw/zinc/77/14/81/1266771481.db2.gz DNEIXMABSDTXJU-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004365259 1266771620 /nfs/dbraw/zinc/77/16/20/1266771620.db2.gz DNEIXMABSDTXJU-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001004365259 1266771629 /nfs/dbraw/zinc/77/16/29/1266771629.db2.gz DNEIXMABSDTXJU-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004843 1264886893 /nfs/dbraw/zinc/88/68/93/1264886893.db2.gz NPVAMSCNBZMSDP-BBWFWOEESA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004843 1264886906 /nfs/dbraw/zinc/88/69/06/1264886906.db2.gz NPVAMSCNBZMSDP-BBWFWOEESA-N 1 3 339.499 2.532 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)N4CCCC4)C[C@@H]32)C1 ZINC001085004763 1264887650 /nfs/dbraw/zinc/88/76/50/1264887650.db2.gz IUXRDKDJRXKVML-GMNCBBECSA-N 1 3 347.547 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)N4CCCC4)C[C@@H]32)C1 ZINC001085004763 1264887659 /nfs/dbraw/zinc/88/76/59/1264887659.db2.gz IUXRDKDJRXKVML-GMNCBBECSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC(C)(C)C3)[C@H]2C1)N(C)C ZINC001085025277 1264959585 /nfs/dbraw/zinc/95/95/85/1264959585.db2.gz ONJGIWHCSIHKMP-CEXWTWQISA-N 1 3 349.563 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(C)(C)C3)[C@H]2C1)N(C)C ZINC001085025277 1264959593 /nfs/dbraw/zinc/95/95/93/1264959593.db2.gz ONJGIWHCSIHKMP-CEXWTWQISA-N 1 3 349.563 2.932 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025239 1264959708 /nfs/dbraw/zinc/95/97/08/1264959708.db2.gz LTQPYNIDQFFKKU-CEXWTWQISA-N 1 3 337.552 2.932 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]21 ZINC001085025239 1264959713 /nfs/dbraw/zinc/95/97/13/1264959713.db2.gz LTQPYNIDQFFKKU-CEXWTWQISA-N 1 3 337.552 2.932 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001410383224 1264965880 /nfs/dbraw/zinc/96/58/80/1264965880.db2.gz LCIOKWSZCRGDLS-CABCVRRESA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003624178 1264982584 /nfs/dbraw/zinc/98/25/84/1264982584.db2.gz MSTRFMWYRWCTSZ-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001003625712 1264986166 /nfs/dbraw/zinc/98/61/66/1264986166.db2.gz KCLAHLUIOQDTMU-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)C1 ZINC001003626891 1264989230 /nfs/dbraw/zinc/98/92/30/1264989230.db2.gz WVHXJHUCTRPOFF-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001410391650 1264991044 /nfs/dbraw/zinc/99/10/44/1264991044.db2.gz VIMIDHKUGTZVND-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001003627489 1264996160 /nfs/dbraw/zinc/99/61/60/1264996160.db2.gz FJAXIGOIDGKLFM-ADKAHSJRSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628648 1264998290 /nfs/dbraw/zinc/99/82/90/1264998290.db2.gz SNBHWTPYNPNXPF-LJQANCHMSA-N 1 3 339.499 2.746 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001410393777 1265001849 /nfs/dbraw/zinc/00/18/49/1265001849.db2.gz VVJPFNDGPVWGFI-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001085049729 1265029616 /nfs/dbraw/zinc/02/96/16/1265029616.db2.gz UUAWLAMDBMLQJO-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001085049729 1265029626 /nfs/dbraw/zinc/02/96/26/1265029626.db2.gz UUAWLAMDBMLQJO-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049784 1265029684 /nfs/dbraw/zinc/02/96/84/1265029684.db2.gz YOLQNAYDJVBBCC-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@H]21 ZINC001085049784 1265029691 /nfs/dbraw/zinc/02/96/91/1265029691.db2.gz YOLQNAYDJVBBCC-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001085049728 1265029967 /nfs/dbraw/zinc/02/99/67/1265029967.db2.gz UUAWLAMDBMLQJO-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001085049728 1265029970 /nfs/dbraw/zinc/02/99/70/1265029970.db2.gz UUAWLAMDBMLQJO-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001085072523 1265077169 /nfs/dbraw/zinc/07/71/69/1265077169.db2.gz DWQIHHRKEHCRAK-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001085072523 1265077174 /nfs/dbraw/zinc/07/71/74/1265077174.db2.gz DWQIHHRKEHCRAK-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)c4c[nH]cn4)C[C@@H]32)C1 ZINC001085075862 1265080323 /nfs/dbraw/zinc/08/03/23/1265080323.db2.gz QACXDNXLIMZZSM-BACDZXNISA-N 1 3 344.503 2.656 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]3CCN(C(=O)C(C)(C)c4c[nH]cn4)C[C@@H]32)C1 ZINC001085075862 1265080335 /nfs/dbraw/zinc/08/03/35/1265080335.db2.gz QACXDNXLIMZZSM-BACDZXNISA-N 1 3 344.503 2.656 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001085101226 1265143319 /nfs/dbraw/zinc/14/33/19/1265143319.db2.gz PRVVMJSPEJDULK-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCC1 ZINC001085101226 1265143323 /nfs/dbraw/zinc/14/33/23/1265143323.db2.gz PRVVMJSPEJDULK-AABGKKOBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001410430551 1265162422 /nfs/dbraw/zinc/16/24/22/1265162422.db2.gz GDVIJVWQHPMDBG-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H](C)c1ccc(F)c(F)c1 ZINC001410430601 1265162481 /nfs/dbraw/zinc/16/24/81/1265162481.db2.gz FPYYNYZVNXXJIM-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001004373066 1266797065 /nfs/dbraw/zinc/79/70/65/1266797065.db2.gz UYLLEQMAPZDRDI-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCCC2)CC1 ZINC001004373066 1266797075 /nfs/dbraw/zinc/79/70/75/1266797075.db2.gz UYLLEQMAPZDRDI-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456439 1267085188 /nfs/dbraw/zinc/08/51/88/1267085188.db2.gz GRCSUJCMIZZCDK-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004456439 1267085193 /nfs/dbraw/zinc/08/51/93/1267085193.db2.gz GRCSUJCMIZZCDK-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456765 1267085536 /nfs/dbraw/zinc/08/55/36/1267085536.db2.gz HTONUQXTLXNFRJ-PMACEKPBSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456765 1267085542 /nfs/dbraw/zinc/08/55/42/1267085542.db2.gz HTONUQXTLXNFRJ-PMACEKPBSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456769 1267085805 /nfs/dbraw/zinc/08/58/05/1267085805.db2.gz HTONUQXTLXNFRJ-WOJBJXKFSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1)C1CC1 ZINC001004456769 1267085814 /nfs/dbraw/zinc/08/58/14/1267085814.db2.gz HTONUQXTLXNFRJ-WOJBJXKFSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456437 1267086041 /nfs/dbraw/zinc/08/60/41/1267086041.db2.gz GRCSUJCMIZZCDK-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001004456437 1267086048 /nfs/dbraw/zinc/08/60/48/1267086048.db2.gz GRCSUJCMIZZCDK-OALUTQOASA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458653 1267093065 /nfs/dbraw/zinc/09/30/65/1267093065.db2.gz PYBJESFJWVIZQD-UXHICEINSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458653 1267093077 /nfs/dbraw/zinc/09/30/77/1267093077.db2.gz PYBJESFJWVIZQD-UXHICEINSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004459391 1267097039 /nfs/dbraw/zinc/09/70/39/1267097039.db2.gz UEWYYIYNNYATIF-WOJBJXKFSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001004459391 1267097052 /nfs/dbraw/zinc/09/70/52/1267097052.db2.gz UEWYYIYNNYATIF-WOJBJXKFSA-N 1 3 347.547 2.996 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004476031 1267128367 /nfs/dbraw/zinc/12/83/67/1267128367.db2.gz WWSFSJOUUVWCMC-XRMLWCHGSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1)N(C)C ZINC001004476031 1267128368 /nfs/dbraw/zinc/12/83/68/1267128368.db2.gz WWSFSJOUUVWCMC-XRMLWCHGSA-N 1 3 341.927 2.782 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1)N(C)C ZINC001004476510 1267129650 /nfs/dbraw/zinc/12/96/50/1267129650.db2.gz YQFYQHCHUQIYMA-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1)N(C)C ZINC001004476510 1267129655 /nfs/dbraw/zinc/12/96/55/1267129655.db2.gz YQFYQHCHUQIYMA-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1)N(C)C ZINC001004476509 1267129802 /nfs/dbraw/zinc/12/98/02/1267129802.db2.gz YQFYQHCHUQIYMA-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1)N(C)C ZINC001004476509 1267129803 /nfs/dbraw/zinc/12/98/03/1267129803.db2.gz YQFYQHCHUQIYMA-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001033126629 1267170250 /nfs/dbraw/zinc/17/02/50/1267170250.db2.gz NKOPFLMUGAXYDO-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2C)C1 ZINC001033126629 1267170254 /nfs/dbraw/zinc/17/02/54/1267170254.db2.gz NKOPFLMUGAXYDO-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001033126629 1267170257 /nfs/dbraw/zinc/17/02/57/1267170257.db2.gz NKOPFLMUGAXYDO-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001033126629 1267170267 /nfs/dbraw/zinc/17/02/67/1267170267.db2.gz NKOPFLMUGAXYDO-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143732 1267259071 /nfs/dbraw/zinc/25/90/71/1267259071.db2.gz KMZOXLLJTYRAEU-VQTJNVASSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143732 1267259077 /nfs/dbraw/zinc/25/90/77/1267259077.db2.gz KMZOXLLJTYRAEU-VQTJNVASSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143731 1267259157 /nfs/dbraw/zinc/25/91/57/1267259157.db2.gz KMZOXLLJTYRAEU-UXHICEINSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001033143731 1267259160 /nfs/dbraw/zinc/25/91/60/1267259160.db2.gz KMZOXLLJTYRAEU-UXHICEINSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCC3CC3)CC2)C1 ZINC001004547097 1267269777 /nfs/dbraw/zinc/26/97/77/1267269777.db2.gz LIZRREQWYDSRJS-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CCC[N@H+]3CCC3CC3)CC2)C1 ZINC001004547097 1267269787 /nfs/dbraw/zinc/26/97/87/1267269787.db2.gz LIZRREQWYDSRJS-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001004549227 1267276213 /nfs/dbraw/zinc/27/62/13/1267276213.db2.gz VLYAFHDCDFODPU-APWZRJJASA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001004549227 1267276221 /nfs/dbraw/zinc/27/62/21/1267276221.db2.gz VLYAFHDCDFODPU-APWZRJJASA-N 1 3 333.520 2.584 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085389487 1267350939 /nfs/dbraw/zinc/35/09/39/1267350939.db2.gz KSHTVCFDXZSBNK-ZACQAIPSSA-N 1 3 327.488 2.628 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614500 1267382311 /nfs/dbraw/zinc/38/23/11/1267382311.db2.gz BXTGRFBTALRNJC-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614500 1267382320 /nfs/dbraw/zinc/38/23/20/1267382320.db2.gz BXTGRFBTALRNJC-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004622051 1267402085 /nfs/dbraw/zinc/40/20/85/1267402085.db2.gz VUSXLRIWPSYAIB-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001004622051 1267402092 /nfs/dbraw/zinc/40/20/92/1267402092.db2.gz VUSXLRIWPSYAIB-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001004622125 1267402644 /nfs/dbraw/zinc/40/26/44/1267402644.db2.gz WJHBCXRMWMTAMI-ROUUACIJSA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001004622125 1267402645 /nfs/dbraw/zinc/40/26/45/1267402645.db2.gz WJHBCXRMWMTAMI-ROUUACIJSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615886 1267408166 /nfs/dbraw/zinc/40/81/66/1267408166.db2.gz IPYNZMOIRNZQFJ-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004615886 1267408175 /nfs/dbraw/zinc/40/81/75/1267408175.db2.gz IPYNZMOIRNZQFJ-SJLPKXTDSA-N 1 3 339.499 2.533 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004615888 1267408340 /nfs/dbraw/zinc/40/83/40/1267408340.db2.gz ISYUWYLBONYECL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004615888 1267408344 /nfs/dbraw/zinc/40/83/44/1267408344.db2.gz ISYUWYLBONYECL-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004616664 1267409450 /nfs/dbraw/zinc/40/94/50/1267409450.db2.gz MPELWWRJUKCLRK-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004616664 1267409454 /nfs/dbraw/zinc/40/94/54/1267409454.db2.gz MPELWWRJUKCLRK-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001004617490 1267410525 /nfs/dbraw/zinc/41/05/25/1267410525.db2.gz QLGKTMQOOOUCAX-AUNFYEFLSA-N 1 3 339.911 2.538 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001004617490 1267410527 /nfs/dbraw/zinc/41/05/27/1267410527.db2.gz QLGKTMQOOOUCAX-AUNFYEFLSA-N 1 3 339.911 2.538 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2Cl)C1 ZINC001085422035 1267428075 /nfs/dbraw/zinc/42/80/75/1267428075.db2.gz FTJCZHJFYCGCPP-KBAYOESNSA-N 1 3 349.906 2.809 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2ccccc2Cl)C1 ZINC001085422035 1267428077 /nfs/dbraw/zinc/42/80/77/1267428077.db2.gz FTJCZHJFYCGCPP-KBAYOESNSA-N 1 3 349.906 2.809 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642414 1267448041 /nfs/dbraw/zinc/44/80/41/1267448041.db2.gz IPCVOYIWNDWTKP-CEXWTWQISA-N 1 3 337.552 2.933 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)CC[C@@H]2C1 ZINC000946642414 1267448044 /nfs/dbraw/zinc/44/80/44/1267448044.db2.gz IPCVOYIWNDWTKP-CEXWTWQISA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2CC1)N(C)C ZINC000946642519 1267449368 /nfs/dbraw/zinc/44/93/68/1267449368.db2.gz NPKAYUWYSJFJAX-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2CC1)N(C)C ZINC000946642519 1267449371 /nfs/dbraw/zinc/44/93/71/1267449371.db2.gz NPKAYUWYSJFJAX-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO C[C@@H](C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1)c1ccccc1 ZINC001273078590 1267451205 /nfs/dbraw/zinc/45/12/05/1267451205.db2.gz JPZDUOOZPHQYFM-SFHVURJKSA-N 1 3 343.515 2.666 20 0 EFADHO CC[C@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N(CC)CC ZINC000736019403 1267486476 /nfs/dbraw/zinc/48/64/76/1267486476.db2.gz OKRLZVXAHDTQQB-GOSISDBHSA-N 1 3 335.492 2.710 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC001128533227 1267700661 /nfs/dbraw/zinc/70/06/61/1267700661.db2.gz JMENYQXIEQFAIP-GOSISDBHSA-N 1 3 337.483 2.696 20 0 EFADHO CCCc1ccc(C[NH2+]CCNC(=O)[C@@H](F)CN(CC)CC)cc1 ZINC001128533602 1267701792 /nfs/dbraw/zinc/70/17/92/1267701792.db2.gz OWACCOSWQMQJJR-SFHVURJKSA-N 1 3 337.483 2.525 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(Cl)cc1C ZINC001128534516 1267710379 /nfs/dbraw/zinc/71/03/79/1267710379.db2.gz YWYFFICKDGCWTH-INIZCTEOSA-N 1 3 343.874 2.534 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001085593082 1267937272 /nfs/dbraw/zinc/93/72/72/1267937272.db2.gz AJIGLQSSOKSBEN-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001085593082 1267937276 /nfs/dbraw/zinc/93/72/76/1267937276.db2.gz AJIGLQSSOKSBEN-ROUUACIJSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001085594564 1267942606 /nfs/dbraw/zinc/94/26/06/1267942606.db2.gz JTBDPJOTOINUQN-RBUKOAKNSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001085594564 1267942611 /nfs/dbraw/zinc/94/26/11/1267942611.db2.gz JTBDPJOTOINUQN-RBUKOAKNSA-N 1 3 347.547 2.972 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598503 1267962112 /nfs/dbraw/zinc/96/21/12/1267962112.db2.gz VCNYEJHPUCRNFK-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598503 1267962116 /nfs/dbraw/zinc/96/21/16/1267962116.db2.gz VCNYEJHPUCRNFK-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085598534 1267962708 /nfs/dbraw/zinc/96/27/08/1267962708.db2.gz VPUHIDOWCFWHGM-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598078 1267962888 /nfs/dbraw/zinc/96/28/88/1267962888.db2.gz MOIKKFGGHLZPTA-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598078 1267962897 /nfs/dbraw/zinc/96/28/97/1267962897.db2.gz MOIKKFGGHLZPTA-MJGOQNOKSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001085605216 1267983867 /nfs/dbraw/zinc/98/38/67/1267983867.db2.gz DCEZRQWKSLTRBW-BHIYHBOVSA-N 1 3 333.520 2.750 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001085605216 1267983879 /nfs/dbraw/zinc/98/38/79/1267983879.db2.gz DCEZRQWKSLTRBW-BHIYHBOVSA-N 1 3 333.520 2.750 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085628667 1268050101 /nfs/dbraw/zinc/05/01/01/1268050101.db2.gz CKJYNCODWHTRQM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001085628667 1268050113 /nfs/dbraw/zinc/05/01/13/1268050113.db2.gz CKJYNCODWHTRQM-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085639024 1268093548 /nfs/dbraw/zinc/09/35/48/1268093548.db2.gz GMEMXTOMXQFWCQ-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085639024 1268093559 /nfs/dbraw/zinc/09/35/59/1268093559.db2.gz GMEMXTOMXQFWCQ-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001004942453 1268198258 /nfs/dbraw/zinc/19/82/58/1268198258.db2.gz AWUNYEABBNBOPA-APWZRJJASA-N 1 3 340.471 2.820 20 0 EFADHO CN(C[C@@H]1CCN1CC1CC(C)(C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695817 1268212123 /nfs/dbraw/zinc/21/21/23/1268212123.db2.gz SCXGVSLBZFETDI-KRWDZBQOSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001004945655 1268227862 /nfs/dbraw/zinc/22/78/62/1268227862.db2.gz JVQGZTAFDSYPKJ-APWZRJJASA-N 1 3 340.471 2.820 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004946826 1268232241 /nfs/dbraw/zinc/23/22/41/1268232241.db2.gz YUUMWOSTUJWPSR-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004953719 1268244129 /nfs/dbraw/zinc/24/41/29/1268244129.db2.gz KXXQHFFTCYUHPG-QAPCUYQASA-N 1 3 330.476 2.812 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033224041 1268292047 /nfs/dbraw/zinc/29/20/47/1268292047.db2.gz YROSQPOCLBHWAX-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033224041 1268292056 /nfs/dbraw/zinc/29/20/56/1268292056.db2.gz YROSQPOCLBHWAX-UXHICEINSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225063 1268312068 /nfs/dbraw/zinc/31/20/68/1268312068.db2.gz CZCMXLYXWBYZMK-IEBWSBKVSA-N 1 3 341.499 2.909 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CC1)N(C)C ZINC000946784839 1268584538 /nfs/dbraw/zinc/58/45/38/1268584538.db2.gz WWOGKQVTNSAYSU-KSZLIROESA-N 1 3 349.544 2.759 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CC1)N(C)C ZINC000946784839 1268584540 /nfs/dbraw/zinc/58/45/40/1268584540.db2.gz WWOGKQVTNSAYSU-KSZLIROESA-N 1 3 349.544 2.759 20 0 EFADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125494 1268614166 /nfs/dbraw/zinc/61/41/66/1268614166.db2.gz QISYMBVPJBXOAF-OXQOHEQNSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125494 1268614177 /nfs/dbraw/zinc/61/41/77/1268614177.db2.gz QISYMBVPJBXOAF-OXQOHEQNSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@H](C)CC[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125497 1268615146 /nfs/dbraw/zinc/61/51/46/1268615146.db2.gz QISYMBVPJBXOAF-UZLBHIALSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@H](C)CC[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125497 1268615152 /nfs/dbraw/zinc/61/51/52/1268615152.db2.gz QISYMBVPJBXOAF-UZLBHIALSA-N 1 3 347.503 2.568 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819909 1268655959 /nfs/dbraw/zinc/65/59/59/1268655959.db2.gz LNSGIOHQEJVLDM-LJQANCHMSA-N 1 3 331.504 2.737 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033296740 1268682063 /nfs/dbraw/zinc/68/20/63/1268682063.db2.gz YNGNSPRHBUZCKI-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033296740 1268682069 /nfs/dbraw/zinc/68/20/69/1268682069.db2.gz YNGNSPRHBUZCKI-OALUTQOASA-N 1 3 333.520 2.584 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001085832352 1268685441 /nfs/dbraw/zinc/68/54/41/1268685441.db2.gz CQCPUSUSXPMTSP-AQNXPRMDSA-N 1 3 343.515 2.665 20 0 EFADHO CCCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001085832352 1268685449 /nfs/dbraw/zinc/68/54/49/1268685449.db2.gz CQCPUSUSXPMTSP-AQNXPRMDSA-N 1 3 343.515 2.665 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294993 1268691008 /nfs/dbraw/zinc/69/10/08/1268691008.db2.gz GRCYSSWXSGOZLC-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001033294993 1268691014 /nfs/dbraw/zinc/69/10/14/1268691014.db2.gz GRCYSSWXSGOZLC-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033295470 1268692183 /nfs/dbraw/zinc/69/21/83/1268692183.db2.gz LECKXFKDDHNJHU-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033295470 1268692185 /nfs/dbraw/zinc/69/21/85/1268692185.db2.gz LECKXFKDDHNJHU-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033298005 1268708440 /nfs/dbraw/zinc/70/84/40/1268708440.db2.gz XYEOTOAUWBEBRA-IBGZPJMESA-N 1 3 343.515 2.903 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033317715 1268775147 /nfs/dbraw/zinc/77/51/47/1268775147.db2.gz DATSZSCBTHPMOS-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033317715 1268775154 /nfs/dbraw/zinc/77/51/54/1268775154.db2.gz DATSZSCBTHPMOS-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033317715 1268775159 /nfs/dbraw/zinc/77/51/59/1268775159.db2.gz DATSZSCBTHPMOS-GOSISDBHSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cccc(CN2CC[C@@H](N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC001033317756 1268775387 /nfs/dbraw/zinc/77/53/87/1268775387.db2.gz DFRBUALMLSXYJE-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033318352 1268779926 /nfs/dbraw/zinc/77/99/26/1268779926.db2.gz IDDHPNKNAASPIA-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033318352 1268779931 /nfs/dbraw/zinc/77/99/31/1268779931.db2.gz IDDHPNKNAASPIA-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875852 1268901730 /nfs/dbraw/zinc/90/17/30/1268901730.db2.gz LCEQNHZGLQOOFA-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO Cc1cc(CN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)c(C)s1 ZINC001033395288 1269010944 /nfs/dbraw/zinc/01/09/44/1269010944.db2.gz GRGLVIHULJNRBF-GOSISDBHSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001033396159 1269014149 /nfs/dbraw/zinc/01/41/49/1269014149.db2.gz NCKQZSSDFSTQAJ-FQEVSTJZSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001033398095 1269018153 /nfs/dbraw/zinc/01/81/53/1269018153.db2.gz VPYBLPSGHVONFH-HXUWFJFHSA-N 1 3 343.515 2.624 20 0 EFADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033390756 1269057796 /nfs/dbraw/zinc/05/77/96/1269057796.db2.gz MOCKGSFFIZTQGR-LJQANCHMSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001033417065 1269088786 /nfs/dbraw/zinc/08/87/86/1269088786.db2.gz UYHQJDMIHOOGFG-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001033417065 1269088796 /nfs/dbraw/zinc/08/87/96/1269088796.db2.gz UYHQJDMIHOOGFG-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085919321 1269104510 /nfs/dbraw/zinc/10/45/10/1269104510.db2.gz YUQLJKRLVSJEDU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CCC1CC1 ZINC001085919321 1269104513 /nfs/dbraw/zinc/10/45/13/1269104513.db2.gz YUQLJKRLVSJEDU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085919321 1269104514 /nfs/dbraw/zinc/10/45/14/1269104514.db2.gz YUQLJKRLVSJEDU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085919321 1269104522 /nfs/dbraw/zinc/10/45/22/1269104522.db2.gz YUQLJKRLVSJEDU-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033420986 1269123756 /nfs/dbraw/zinc/12/37/56/1269123756.db2.gz SVGIJCCFHMSQJZ-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033420986 1269123760 /nfs/dbraw/zinc/12/37/60/1269123760.db2.gz SVGIJCCFHMSQJZ-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928131 1269129907 /nfs/dbraw/zinc/12/99/07/1269129907.db2.gz OZWLEQIKIJOKGB-RBUKOAKNSA-N 1 3 341.499 2.766 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033471612 1269218629 /nfs/dbraw/zinc/21/86/29/1269218629.db2.gz MCFJWKWBLRDZAD-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033471612 1269218633 /nfs/dbraw/zinc/21/86/33/1269218633.db2.gz MCFJWKWBLRDZAD-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033472624 1269259013 /nfs/dbraw/zinc/25/90/13/1269259013.db2.gz ZILVNWJLUPGZFH-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033472624 1269259023 /nfs/dbraw/zinc/25/90/23/1269259023.db2.gz ZILVNWJLUPGZFH-UXHICEINSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033503682 1269269496 /nfs/dbraw/zinc/26/94/96/1269269496.db2.gz CPSZMNAHDMXZHS-LJQANCHMSA-N 1 3 329.488 2.861 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001005184533 1269330350 /nfs/dbraw/zinc/33/03/50/1269330350.db2.gz NMFBBCZSMCFFPY-FQEVSTJZSA-N 1 3 343.515 2.636 20 0 EFADHO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)c(C)s1 ZINC001005185481 1269335410 /nfs/dbraw/zinc/33/54/10/1269335410.db2.gz RVEUQRXFFPMTHJ-GOSISDBHSA-N 1 3 349.544 2.882 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005177913 1269337500 /nfs/dbraw/zinc/33/75/00/1269337500.db2.gz FUVUGGVWBSUVBD-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC001005182855 1269344723 /nfs/dbraw/zinc/34/47/23/1269344723.db2.gz HKWSCYOFLSSVMZ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)[C@H]2CCCN2C)CC1 ZINC001005182845 1269345160 /nfs/dbraw/zinc/34/51/60/1269345160.db2.gz HFMUTCHCJODLFG-QFBILLFUSA-N 1 3 329.488 2.765 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984533 1269410122 /nfs/dbraw/zinc/41/01/22/1269410122.db2.gz GKMUNTVTXSCHAO-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984533 1269410127 /nfs/dbraw/zinc/41/01/27/1269410127.db2.gz GKMUNTVTXSCHAO-IBGZPJMESA-N 1 3 331.504 2.941 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001033581306 1269486527 /nfs/dbraw/zinc/48/65/27/1269486527.db2.gz JJGLPOIJJKUCFX-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001033581306 1269486535 /nfs/dbraw/zinc/48/65/35/1269486535.db2.gz JJGLPOIJJKUCFX-PMACEKPBSA-N 1 3 343.515 2.678 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582043 1269489111 /nfs/dbraw/zinc/48/91/11/1269489111.db2.gz NKCOUOIPEOOWSP-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001033582043 1269489115 /nfs/dbraw/zinc/48/91/15/1269489115.db2.gz NKCOUOIPEOOWSP-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033590373 1269512168 /nfs/dbraw/zinc/51/21/68/1269512168.db2.gz PIELUGBONYCDIV-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033590373 1269512172 /nfs/dbraw/zinc/51/21/72/1269512172.db2.gz PIELUGBONYCDIV-MRXNPFEDSA-N 1 3 332.492 2.800 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033595112 1269519701 /nfs/dbraw/zinc/51/97/01/1269519701.db2.gz QYWGCOFQHXWNLK-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033595112 1269519708 /nfs/dbraw/zinc/51/97/08/1269519708.db2.gz QYWGCOFQHXWNLK-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033662152 1269760706 /nfs/dbraw/zinc/76/07/06/1269760706.db2.gz OECSTRKWJCRGLF-UXHICEINSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033662152 1269760712 /nfs/dbraw/zinc/76/07/12/1269760712.db2.gz OECSTRKWJCRGLF-UXHICEINSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033681090 1269783731 /nfs/dbraw/zinc/78/37/31/1269783731.db2.gz QGZSZXFYSNYKRA-GOSISDBHSA-N 1 3 329.488 2.861 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001086084848 1269859627 /nfs/dbraw/zinc/85/96/27/1269859627.db2.gz IQEGLKRIGBMZTQ-HSALFYBXSA-N 1 3 343.515 2.586 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)s2)[C@H]1C ZINC001410868668 1269958307 /nfs/dbraw/zinc/95/83/07/1269958307.db2.gz SPLLYBRADCRJBV-OCCSQVGLSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086102155 1269972406 /nfs/dbraw/zinc/97/24/06/1269972406.db2.gz LPKYASOSDUAGMK-NZSAHSFTSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033826262 1270249188 /nfs/dbraw/zinc/24/91/88/1270249188.db2.gz NPSNINVALCDMEB-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C(C)C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033826262 1270249196 /nfs/dbraw/zinc/24/91/96/1270249196.db2.gz NPSNINVALCDMEB-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](CNC/C(Cl)=C/Cl)C2)CC1 ZINC001410941048 1270305169 /nfs/dbraw/zinc/30/51/69/1270305169.db2.gz JVNYQAQLOQFOIW-INTWUNTISA-N 1 3 348.318 2.522 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001005395159 1270334886 /nfs/dbraw/zinc/33/48/86/1270334886.db2.gz IFGVIFCSBGLLEC-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033827598 1270336118 /nfs/dbraw/zinc/33/61/18/1270336118.db2.gz GRGLNYNEZZANKC-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001033827598 1270336128 /nfs/dbraw/zinc/33/61/28/1270336128.db2.gz GRGLNYNEZZANKC-VQTJNVASSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(N(C)C(=O)C(C)(C)N2CCCCC2)CC1 ZINC001005396564 1270384809 /nfs/dbraw/zinc/38/48/09/1270384809.db2.gz NWQNEIFOROZSIN-INIZCTEOSA-N 1 3 341.515 2.922 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198230 1270433266 /nfs/dbraw/zinc/43/32/66/1270433266.db2.gz NSHOPFDJACKMPX-XJNFMUPTSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198230 1270433271 /nfs/dbraw/zinc/43/32/71/1270433271.db2.gz NSHOPFDJACKMPX-XJNFMUPTSA-N 1 3 349.906 2.522 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001034014661 1270834491 /nfs/dbraw/zinc/83/44/91/1270834491.db2.gz ZZJWHXOXPYDAFR-LJQANCHMSA-N 1 3 341.499 2.514 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001034014660 1270834512 /nfs/dbraw/zinc/83/45/12/1270834512.db2.gz ZZJWHXOXPYDAFR-IBGZPJMESA-N 1 3 341.499 2.514 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045096 1270954976 /nfs/dbraw/zinc/95/49/76/1270954976.db2.gz OKIBWGRBNUPDKE-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001034045096 1270954982 /nfs/dbraw/zinc/95/49/82/1270954982.db2.gz OKIBWGRBNUPDKE-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001034046695 1270958833 /nfs/dbraw/zinc/95/88/33/1270958833.db2.gz UKIQLPRNPSVNCT-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(C(=O)c1cccc(CN(C)C)c1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001034046695 1270958841 /nfs/dbraw/zinc/95/88/41/1270958841.db2.gz UKIQLPRNPSVNCT-LJQANCHMSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCc2cccs2)C1 ZINC001086364949 1271169169 /nfs/dbraw/zinc/16/91/69/1271169169.db2.gz ZBNWTVVNRNTFGG-JFIYKMOQSA-N 1 3 349.544 2.648 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001086364699 1271169207 /nfs/dbraw/zinc/16/92/07/1271169207.db2.gz NNSDWATULQYGJW-VAMGGRTRSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001086364685 1271169218 /nfs/dbraw/zinc/16/92/18/1271169218.db2.gz NEYLWSLLLPZERU-IHPCNDPISA-N 1 3 343.515 2.852 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001086381893 1271224899 /nfs/dbraw/zinc/22/48/99/1271224899.db2.gz MGWOERCJLMMXIV-FHWLQOOXSA-N 1 3 333.520 2.846 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086497687 1271868730 /nfs/dbraw/zinc/86/87/30/1271868730.db2.gz WXDYOZCXZAJLAX-LKIAZTKLSA-N 1 3 335.536 2.780 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)C1 ZINC001034396765 1271889758 /nfs/dbraw/zinc/88/97/58/1271889758.db2.gz HQMJBLCLYGPBTG-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)C1 ZINC001034396765 1271889766 /nfs/dbraw/zinc/88/97/66/1271889766.db2.gz HQMJBLCLYGPBTG-LPHOPBHVSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399329 1271893387 /nfs/dbraw/zinc/89/33/87/1271893387.db2.gz SLBFVIXAFZKVAQ-QAPCUYQASA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399329 1271893402 /nfs/dbraw/zinc/89/34/02/1271893402.db2.gz SLBFVIXAFZKVAQ-QAPCUYQASA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399327 1271896018 /nfs/dbraw/zinc/89/60/18/1271896018.db2.gz SLBFVIXAFZKVAQ-MAUKXSAKSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034399327 1271896029 /nfs/dbraw/zinc/89/60/29/1271896029.db2.gz SLBFVIXAFZKVAQ-MAUKXSAKSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)CN2CCC(C)CC2)C1 ZINC001411250291 1272137847 /nfs/dbraw/zinc/13/78/47/1272137847.db2.gz QIFSVLUBZSBIAZ-VIQWUECVSA-N 1 3 337.552 2.980 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761031 1272170090 /nfs/dbraw/zinc/17/00/90/1272170090.db2.gz DMWYSGXYSHAUIO-FXAWDEMLSA-N 1 3 328.431 2.971 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000379761031 1272170099 /nfs/dbraw/zinc/17/00/99/1272170099.db2.gz DMWYSGXYSHAUIO-FXAWDEMLSA-N 1 3 328.431 2.971 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C/C=C\c3ccccc3)C2)C1 ZINC001034524762 1272192018 /nfs/dbraw/zinc/19/20/18/1272192018.db2.gz HRAVZQIKJVKVIX-RKLIJYKOSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCCN(C/C=C\c3ccccc3)C2)C1 ZINC001034524762 1272192023 /nfs/dbraw/zinc/19/20/23/1272192023.db2.gz HRAVZQIKJVKVIX-RKLIJYKOSA-N 1 3 341.499 2.622 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@H+](CC2CC2)C1 ZINC001034544355 1272258593 /nfs/dbraw/zinc/25/85/93/1272258593.db2.gz QHKIEHQSQHECAJ-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@H]1CCCC[N@@H+](CC2CC2)C1 ZINC001034544355 1272258600 /nfs/dbraw/zinc/25/86/00/1272258600.db2.gz QHKIEHQSQHECAJ-SFHVURJKSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831250 1272432158 /nfs/dbraw/zinc/43/21/58/1272432158.db2.gz URYYKLLJJGZJEM-LVQVYYBASA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831250 1272432159 /nfs/dbraw/zinc/43/21/59/1272432159.db2.gz URYYKLLJJGZJEM-LVQVYYBASA-N 1 3 325.497 2.847 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034642748 1272432696 /nfs/dbraw/zinc/43/26/96/1272432696.db2.gz KPNPESNCNUVOHM-LKIAZTKLSA-N 1 3 335.536 2.922 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886722 1272485326 /nfs/dbraw/zinc/48/53/26/1272485326.db2.gz ZZRVMLBCEFXSDJ-MWDXBVQZSA-N 1 3 337.508 2.658 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886722 1272485335 /nfs/dbraw/zinc/48/53/35/1272485335.db2.gz ZZRVMLBCEFXSDJ-MWDXBVQZSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001168886722 1272485341 /nfs/dbraw/zinc/48/53/41/1272485341.db2.gz ZZRVMLBCEFXSDJ-MWDXBVQZSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001168886722 1272485348 /nfs/dbraw/zinc/48/53/48/1272485348.db2.gz ZZRVMLBCEFXSDJ-MWDXBVQZSA-N 1 3 337.508 2.658 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC001168756113 1272555833 /nfs/dbraw/zinc/55/58/33/1272555833.db2.gz VCEZNKRMEPNLDZ-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(OCC3(C)COC3)c(F)c1)C2 ZINC001169119373 1272673549 /nfs/dbraw/zinc/67/35/49/1272673549.db2.gz SANYFAWECHFFBB-BJWYYQGGSA-N 1 3 348.462 2.956 20 0 EFADHO CC(C)N(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)C(=O)OC(C)(C)C ZINC001169117834 1272674151 /nfs/dbraw/zinc/67/41/51/1272674151.db2.gz AFOTZVXDNGGWSE-PHZGNYQRSA-N 1 3 325.497 2.847 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC(=O)N(Cc3ccccc3Cl)C1)C2 ZINC001169124374 1272681395 /nfs/dbraw/zinc/68/13/95/1272681395.db2.gz QNYUGMVCGZVZAO-LUKYLMHMSA-N 1 3 347.890 2.656 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169126548 1272682264 /nfs/dbraw/zinc/68/22/64/1272682264.db2.gz WDHZKUFPOSGJDH-GEALJGNFSA-N 1 3 331.479 2.957 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169126548 1272682267 /nfs/dbraw/zinc/68/22/67/1272682267.db2.gz WDHZKUFPOSGJDH-GEALJGNFSA-N 1 3 331.479 2.957 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125436 1272682764 /nfs/dbraw/zinc/68/27/64/1272682764.db2.gz ILWNGXHKFNVZIZ-WCXIOVBPSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125436 1272682770 /nfs/dbraw/zinc/68/27/70/1272682770.db2.gz ILWNGXHKFNVZIZ-WCXIOVBPSA-N 1 3 337.508 2.800 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCN3c3ncccn3)CC1)C2 ZINC001169131378 1272687442 /nfs/dbraw/zinc/68/74/42/1272687442.db2.gz SSTFTUCWAADEBP-BCDXTJNWSA-N 1 3 341.503 2.537 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CCCN3c3ncccn3)CC1)C2 ZINC001169131378 1272687447 /nfs/dbraw/zinc/68/74/47/1272687447.db2.gz SSTFTUCWAADEBP-BCDXTJNWSA-N 1 3 341.503 2.537 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1C[C@@H]3CN(Cc4cccs4)C[C@H]3C1)C2 ZINC001169131373 1272688058 /nfs/dbraw/zinc/68/80/58/1272688058.db2.gz SQQJOYDKXDLDDD-NNPSNHGLSA-N 1 3 331.529 2.737 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001169143075 1272704061 /nfs/dbraw/zinc/70/40/61/1272704061.db2.gz XFGPTSVCSYBRSE-JCUFNKLESA-N 1 3 325.500 2.675 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1C[C@H]3CN(Cc4ccccc4)C[C@H]3C1)C2 ZINC001169143075 1272704065 /nfs/dbraw/zinc/70/40/65/1272704065.db2.gz XFGPTSVCSYBRSE-JCUFNKLESA-N 1 3 325.500 2.675 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145475 1272707025 /nfs/dbraw/zinc/70/70/25/1272707025.db2.gz MSTDPSXMHKZFGK-YVSFHVDLSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145475 1272707034 /nfs/dbraw/zinc/70/70/34/1272707034.db2.gz MSTDPSXMHKZFGK-YVSFHVDLSA-N 1 3 337.508 2.943 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(C(=O)OC(C)(C)C)CCC1)C2 ZINC001169153537 1272715176 /nfs/dbraw/zinc/71/51/76/1272715176.db2.gz KKEFQBGEWSPPSE-BJWYYQGGSA-N 1 3 337.508 2.945 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCCN(C(=O)OC(C)(C)C)CCC1)C2 ZINC001169153537 1272715180 /nfs/dbraw/zinc/71/51/80/1272715180.db2.gz KKEFQBGEWSPPSE-BJWYYQGGSA-N 1 3 337.508 2.945 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](N3Cc4ccccc4C3=O)C1)C2 ZINC001169155023 1272716480 /nfs/dbraw/zinc/71/64/80/1272716480.db2.gz WCLXKINNNCUDIG-HCXYKTFWSA-N 1 3 339.483 2.732 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](N3Cc4ccccc4C3=O)C1)C2 ZINC001169155023 1272716488 /nfs/dbraw/zinc/71/64/88/1272716488.db2.gz WCLXKINNNCUDIG-HCXYKTFWSA-N 1 3 339.483 2.732 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3)CC2)C1 ZINC001034733310 1272760238 /nfs/dbraw/zinc/76/02/38/1272760238.db2.gz AJXYVXCBHMHSPO-WDSOQIARSA-N 1 3 329.488 2.545 20 0 EFADHO CN1CCCC[C@@H]1c1ccc(NCc2ncn3c2C[NH2+]CCC3)nc1 ZINC001169240986 1272764753 /nfs/dbraw/zinc/76/47/53/1272764753.db2.gz OBCOTHJWHPXBPZ-QGZVFWFLSA-N 1 3 340.475 2.540 20 0 EFADHO CC[NH+]1CCC(N(C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001169249359 1272774054 /nfs/dbraw/zinc/77/40/54/1272774054.db2.gz HQWWGPLKOPKBQY-MRXNPFEDSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cccs2)CC1 ZINC001034737277 1272786156 /nfs/dbraw/zinc/78/61/56/1272786156.db2.gz ISYCEUPHDXQRNJ-BRWVUGGUSA-N 1 3 349.544 2.792 20 0 EFADHO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4c(c3)COC43CNC3)c2C1 ZINC001171099883 1278736732 /nfs/dbraw/zinc/73/67/32/1278736732.db2.gz QONVWPIWAVDLMY-OAHLLOKOSA-N 1 3 345.446 2.775 20 0 EFADHO CC(C)CNC(=O)[C@H]1CC12CCN(CC1(C[NH+](C)C)CCCC1)CC2 ZINC001273136813 1272849474 /nfs/dbraw/zinc/84/94/74/1272849474.db2.gz NDIRIJDMRKOHGP-GOSISDBHSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CCN(Cc2cccnc2)CC1 ZINC001169446924 1272923274 /nfs/dbraw/zinc/92/32/74/1272923274.db2.gz PJZMCZKGCJAVJO-KRWDZBQOSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CC)C(=O)C[C@@H](C)N1CCC([NH3+])(Cc2cccc(F)c2)CC1 ZINC001169451480 1272925292 /nfs/dbraw/zinc/92/52/92/1272925292.db2.gz HOCHCPXBTKVBPW-MRXNPFEDSA-N 1 3 349.494 2.809 20 0 EFADHO CC(=O)N1CC[C@@H]([NH+]2CCC3(CC[C@@H]3N(C)Cc3ccco3)CC2)C1 ZINC001169536937 1272995070 /nfs/dbraw/zinc/99/50/70/1272995070.db2.gz GRCGFZNKFXDQTJ-MJGOQNOKSA-N 1 3 345.487 2.577 20 0 EFADHO Cc1cc(Br)cnc1CN1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001206014080 1273055070 /nfs/dbraw/zinc/05/50/70/1273055070.db2.gz VXSKSZIJVKNRCY-STQMWFEESA-N 1 3 326.282 2.959 20 0 EFADHO CCOC(=O)N1CCC[C@H]([N@H+](CCCN)C2CCCCC2)CC1 ZINC001169645367 1273060832 /nfs/dbraw/zinc/06/08/32/1273060832.db2.gz MZTRWIFQTACTPK-KRWDZBQOSA-N 1 3 325.497 2.981 20 0 EFADHO CCOC(=O)N1CCC[C@H]([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001169645367 1273060841 /nfs/dbraw/zinc/06/08/41/1273060841.db2.gz MZTRWIFQTACTPK-KRWDZBQOSA-N 1 3 325.497 2.981 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001129341782 1273087082 /nfs/dbraw/zinc/08/70/82/1273087082.db2.gz ZFUUNRKHXYBXIP-MRXNPFEDSA-N 1 3 337.895 2.524 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001129341782 1273087091 /nfs/dbraw/zinc/08/70/91/1273087091.db2.gz ZFUUNRKHXYBXIP-MRXNPFEDSA-N 1 3 337.895 2.524 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001034884681 1273148389 /nfs/dbraw/zinc/14/83/89/1273148389.db2.gz LGUYVAWXRSNWHY-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)c(Cl)c1 ZINC001034885448 1273149478 /nfs/dbraw/zinc/14/94/78/1273149478.db2.gz TUNAASQYOCHWJP-AEFFLSMTSA-N 1 3 349.906 2.823 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001034885285 1273149731 /nfs/dbraw/zinc/14/97/31/1273149731.db2.gz SGCCEGJWKSJTCH-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC34CC[NH+](CC3)CC4)cn2)CC1 ZINC001169795212 1273170929 /nfs/dbraw/zinc/17/09/29/1273170929.db2.gz MEQUBBVKBDXADO-UHFFFAOYSA-N 1 3 343.519 2.510 20 0 EFADHO [NH3+]C1(c2ccc(F)cc2)CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169926593 1273266235 /nfs/dbraw/zinc/26/62/35/1273266235.db2.gz YKYKYMXKEOBYOE-QGZVFWFLSA-N 1 3 334.435 2.761 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001034957357 1273270800 /nfs/dbraw/zinc/27/08/00/1273270800.db2.gz PZCNZMCKXIOYCH-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001034957356 1273271208 /nfs/dbraw/zinc/27/12/08/1273271208.db2.gz PZCNZMCKXIOYCH-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)c1 ZINC001034957365 1273271235 /nfs/dbraw/zinc/27/12/35/1273271235.db2.gz QDBUQWLNYZYWNL-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)cs1 ZINC001034957575 1273271266 /nfs/dbraw/zinc/27/12/66/1273271266.db2.gz BMOSWLYYVPMLSN-QGZVFWFLSA-N 1 3 335.517 2.621 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957453 1273271425 /nfs/dbraw/zinc/27/14/25/1273271425.db2.gz VSKNQHKOHLNPHY-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001034957829 1273272801 /nfs/dbraw/zinc/27/28/01/1273272801.db2.gz KYFCVKKGKJJODC-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001034971919 1273289646 /nfs/dbraw/zinc/28/96/46/1273289646.db2.gz ZPDQWZOXEPWPNI-IAGOWNOFSA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C ZINC001034975617 1273300736 /nfs/dbraw/zinc/30/07/36/1273300736.db2.gz VMDIRAVHVKRLBX-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001034960964 1273312408 /nfs/dbraw/zinc/31/24/08/1273312408.db2.gz QJTNCEFDSDUVOU-QZTJIDSGSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)cc1F ZINC001034961906 1273314906 /nfs/dbraw/zinc/31/49/06/1273314906.db2.gz XUBXFEDBNAWLQS-IEBWSBKVSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001034964815 1273320114 /nfs/dbraw/zinc/32/01/14/1273320114.db2.gz YZBOLLIYKZTESU-MOPGFXCFSA-N 1 3 349.494 2.823 20 0 EFADHO CC/C=C/CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(N(C)C)CCC1)C2 ZINC001108703571 1273376362 /nfs/dbraw/zinc/37/63/62/1273376362.db2.gz RBNZALJMUXMWRH-OQNFGNQXSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]1CNCc1ccccc1F)[NH+]1CCCC1 ZINC001035010732 1273385002 /nfs/dbraw/zinc/38/50/02/1273385002.db2.gz JDSZZDPPZRLBJZ-QGZVFWFLSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1cccc(F)c1 ZINC001035014224 1273389419 /nfs/dbraw/zinc/38/94/19/1273389419.db2.gz SSDATDAUJVXSBB-ZTFGCOKTSA-N 1 3 333.451 2.562 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001035014600 1273389655 /nfs/dbraw/zinc/38/96/55/1273389655.db2.gz YQHSKDYDJUNCMI-MISYRCLQSA-N 1 3 341.499 2.739 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001035047735 1273463802 /nfs/dbraw/zinc/46/38/02/1273463802.db2.gz KCGBGICCUKYOGO-QGZVFWFLSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001035047474 1273464105 /nfs/dbraw/zinc/46/41/05/1273464105.db2.gz DKBLOLIWSZVKKC-DNVCBOLYSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001035047771 1273464149 /nfs/dbraw/zinc/46/41/49/1273464149.db2.gz GYHDOXURHYUSPK-QFBILLFUSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c(C)s1 ZINC001035049021 1273465649 /nfs/dbraw/zinc/46/56/49/1273465649.db2.gz LULJHDBYHCFMQG-KBXCAEBGSA-N 1 3 349.544 2.930 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001035050008 1273466732 /nfs/dbraw/zinc/46/67/32/1273466732.db2.gz BHEKHIGMTKBARH-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108764407 1273467632 /nfs/dbraw/zinc/46/76/32/1273467632.db2.gz LBVCZQBZKFINNG-BZSNNMDCSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C)c1)N(C)C ZINC001035052299 1273469235 /nfs/dbraw/zinc/46/92/35/1273469235.db2.gz JWDHSLGQIOTCHA-QRQLOZEOSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001035051995 1273469548 /nfs/dbraw/zinc/46/95/48/1273469548.db2.gz BTHHVCVUMNVYOW-SJORKVTESA-N 1 3 337.895 2.761 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC)c1)N(C)C ZINC001035052146 1273469928 /nfs/dbraw/zinc/46/99/28/1273469928.db2.gz FPMLNCATNWOCII-WDYCEAGBSA-N 1 3 347.503 2.677 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001035052370 1273470591 /nfs/dbraw/zinc/47/05/91/1273470591.db2.gz WQAFPCXNLKLRRR-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C ZINC001035052379 1273470846 /nfs/dbraw/zinc/47/08/46/1273470846.db2.gz MEJBGWBEICVCNI-MJGOQNOKSA-N 1 3 342.487 2.589 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001035052512 1273471052 /nfs/dbraw/zinc/47/10/52/1273471052.db2.gz YZPWLKZABARSOD-QFBILLFUSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)cc1 ZINC001108832002 1273522784 /nfs/dbraw/zinc/52/27/84/1273522784.db2.gz NTUNAWSRYIXHNH-UFYCRDLUSA-N 1 3 343.515 2.804 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001035125343 1273589663 /nfs/dbraw/zinc/58/96/63/1273589663.db2.gz FFMHUKDDRQWISG-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001035125736 1273590012 /nfs/dbraw/zinc/59/00/12/1273590012.db2.gz MOJQIGUYRJPXHG-QGZVFWFLSA-N 1 3 335.879 2.516 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001035131406 1273598293 /nfs/dbraw/zinc/59/82/93/1273598293.db2.gz JJEZHDCUVUSWKS-RTBURBONSA-N 1 3 347.478 2.781 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086530405 1273740681 /nfs/dbraw/zinc/74/06/81/1273740681.db2.gz WZDPEJXCFAFRBD-FHWLQOOXSA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196474 1273757483 /nfs/dbraw/zinc/75/74/83/1273757483.db2.gz LBRJNZQHQIHKEW-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)N(C)C)CC2 ZINC001035196474 1273757488 /nfs/dbraw/zinc/75/74/88/1273757488.db2.gz LBRJNZQHQIHKEW-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](CC[C@@H](C)F)C2)CC1)N(C)C ZINC001035197083 1273759337 /nfs/dbraw/zinc/75/93/37/1273759337.db2.gz SMPIGUGJNBJQJQ-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CC[N@H+](CC[C@@H](C)F)C2)CC1)N(C)C ZINC001035197083 1273759340 /nfs/dbraw/zinc/75/93/40/1273759340.db2.gz SMPIGUGJNBJQJQ-SJORKVTESA-N 1 3 341.515 2.635 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001035198066 1273764733 /nfs/dbraw/zinc/76/47/33/1273764733.db2.gz CNHRFXBUUOOYHU-VCIFKONDSA-N 1 3 339.911 2.538 20 0 EFADHO CN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001035198066 1273764754 /nfs/dbraw/zinc/76/47/54/1273764754.db2.gz CNHRFXBUUOOYHU-VCIFKONDSA-N 1 3 339.911 2.538 20 0 EFADHO CC(C)=CC[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193562 1273814772 /nfs/dbraw/zinc/81/47/72/1273814772.db2.gz GLNQTVRIKXXKJH-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193562 1273814784 /nfs/dbraw/zinc/81/47/84/1273814784.db2.gz GLNQTVRIKXXKJH-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194317 1273817695 /nfs/dbraw/zinc/81/76/95/1273817695.db2.gz ZWYFUAMKUUIQFE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194317 1273817703 /nfs/dbraw/zinc/81/77/03/1273817703.db2.gz ZWYFUAMKUUIQFE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194349 1273817956 /nfs/dbraw/zinc/81/79/56/1273817956.db2.gz INYCBBJBPSOHSE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194349 1273817965 /nfs/dbraw/zinc/81/79/65/1273817965.db2.gz INYCBBJBPSOHSE-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226725 1273847831 /nfs/dbraw/zinc/84/78/31/1273847831.db2.gz LJNHJXFIJJSXJG-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC(C)(C)C1)CC2 ZINC001035226725 1273847837 /nfs/dbraw/zinc/84/78/37/1273847837.db2.gz LJNHJXFIJJSXJG-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1 ZINC001035227444 1273850447 /nfs/dbraw/zinc/85/04/47/1273850447.db2.gz SHKWRBDLENULKV-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1 ZINC001035227444 1273850461 /nfs/dbraw/zinc/85/04/61/1273850461.db2.gz SHKWRBDLENULKV-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227401 1273850661 /nfs/dbraw/zinc/85/06/61/1273850661.db2.gz QPXFQGBPSZXHQZ-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035227401 1273850670 /nfs/dbraw/zinc/85/06/70/1273850670.db2.gz QPXFQGBPSZXHQZ-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001035260038 1273954926 /nfs/dbraw/zinc/95/49/26/1273954926.db2.gz NSCROSLVAPUXCW-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001035260038 1273954928 /nfs/dbraw/zinc/95/49/28/1273954928.db2.gz NSCROSLVAPUXCW-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001035260039 1273955470 /nfs/dbraw/zinc/95/54/70/1273955470.db2.gz NSCROSLVAPUXCW-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCCF)C2)CC1 ZINC001035260039 1273955472 /nfs/dbraw/zinc/95/54/72/1273955472.db2.gz NSCROSLVAPUXCW-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109272435 1274078221 /nfs/dbraw/zinc/07/82/21/1274078221.db2.gz JHSUFLUAWAUTES-OWSLCNJRSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109272435 1274078226 /nfs/dbraw/zinc/07/82/26/1274078226.db2.gz JHSUFLUAWAUTES-OWSLCNJRSA-N 1 3 339.499 2.721 20 0 EFADHO CC/C=C\CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485279 1274336051 /nfs/dbraw/zinc/33/60/51/1274336051.db2.gz SVWKYMWOQCAAKR-ZXGOUQINSA-N 1 3 331.504 2.693 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035706753 1274386144 /nfs/dbraw/zinc/38/61/44/1274386144.db2.gz KKQJEKZITYLKJO-SFHVURJKSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035706753 1274386147 /nfs/dbraw/zinc/38/61/47/1274386147.db2.gz KKQJEKZITYLKJO-SFHVURJKSA-N 1 3 333.520 2.750 20 0 EFADHO Cc1cc(N2CCN(C3CC(C)(C)N(O)C(C)(C)C3)CC2)cc[nH+]1 ZINC001170010997 1274395033 /nfs/dbraw/zinc/39/50/33/1274395033.db2.gz KJQKJDJYRUPCAU-UHFFFAOYSA-N 1 3 332.492 2.923 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)C1CC1 ZINC001035720603 1274406501 /nfs/dbraw/zinc/40/65/01/1274406501.db2.gz LGMWGLZIFWUXHZ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)C1CCC1 ZINC001035721613 1274407973 /nfs/dbraw/zinc/40/79/73/1274407973.db2.gz AZSDXKQRHGYAFG-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)N(C)C ZINC001035727187 1274415122 /nfs/dbraw/zinc/41/51/22/1274415122.db2.gz QFUQMRBBJGPIKX-IBGZPJMESA-N 1 3 347.547 2.997 20 0 EFADHO CC/C=C/CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555298 1274424271 /nfs/dbraw/zinc/42/42/71/1274424271.db2.gz KPYSVQJBQMSFSX-OBDTYCHSSA-N 1 3 345.531 2.939 20 0 EFADHO CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555298 1274424279 /nfs/dbraw/zinc/42/42/79/1274424279.db2.gz KPYSVQJBQMSFSX-OBDTYCHSSA-N 1 3 345.531 2.939 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)CC2 ZINC001035742023 1274435749 /nfs/dbraw/zinc/43/57/49/1274435749.db2.gz TUFSZRJFFGVTHT-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742023 1274435756 /nfs/dbraw/zinc/43/57/56/1274435756.db2.gz TUFSZRJFFGVTHT-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1c[nH+]ccc1N1CCN(C2CC(C)(C)N(O)C(C)(C)C2)CC1 ZINC001170012980 1274453407 /nfs/dbraw/zinc/45/34/07/1274453407.db2.gz ZUDMYKMKHKQVSR-UHFFFAOYSA-N 1 3 332.492 2.923 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035787010 1274481784 /nfs/dbraw/zinc/48/17/84/1274481784.db2.gz ILFNZYWHWHIXMJ-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[NH+]1CC2(C1)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035795744 1274494244 /nfs/dbraw/zinc/49/42/44/1274494244.db2.gz YNISTAKVFOQZRE-LJQANCHMSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035796359 1274494951 /nfs/dbraw/zinc/49/49/51/1274494951.db2.gz AFPZDULBGNKIHZ-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035797899 1274496235 /nfs/dbraw/zinc/49/62/35/1274496235.db2.gz JHJAZWFJKQQZOA-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c(C)s1 ZINC001109655174 1274524781 /nfs/dbraw/zinc/52/47/81/1274524781.db2.gz JPRKJZRMZUCVGX-SQNIBIBYSA-N 1 3 349.544 2.928 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC3(C[NH+](CC4CC4)C3)CC2)c1 ZINC001035856283 1274603982 /nfs/dbraw/zinc/60/39/82/1274603982.db2.gz LLLOREDESLLPQN-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC[C@H](C)F)C2)CC1 ZINC001035857269 1274605341 /nfs/dbraw/zinc/60/53/41/1274605341.db2.gz LAUGELYLUOXEDS-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H]1C[C@@H]([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CCO1 ZINC001170216660 1278890410 /nfs/dbraw/zinc/89/04/10/1278890410.db2.gz IIMKDMZUNVVSPR-RBUKOAKNSA-N 1 3 346.519 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1C ZINC001109932168 1274849266 /nfs/dbraw/zinc/84/92/66/1274849266.db2.gz DFHCQWNIYJBHOL-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1C ZINC001109932168 1274849283 /nfs/dbraw/zinc/84/92/83/1274849283.db2.gz DFHCQWNIYJBHOL-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CC)C3)cc1 ZINC001109932541 1274850992 /nfs/dbraw/zinc/85/09/92/1274850992.db2.gz LPKZHEZAZNDZHE-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@H+](C)CC)C3)cc1 ZINC001109932541 1274850997 /nfs/dbraw/zinc/85/09/97/1274850997.db2.gz LPKZHEZAZNDZHE-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036053893 1274977446 /nfs/dbraw/zinc/97/74/46/1274977446.db2.gz IEGLOBCWXVDTBI-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC001036053892 1274977614 /nfs/dbraw/zinc/97/76/14/1274977614.db2.gz IEGLOBCWXVDTBI-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]CCc1cccs1 ZINC001036055933 1274982916 /nfs/dbraw/zinc/98/29/16/1274982916.db2.gz RJTKXFQMXLHZKC-DOTOQJQBSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001036059214 1274987033 /nfs/dbraw/zinc/98/70/33/1274987033.db2.gz DEEXNQDSCJGFSB-LPHOPBHVSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036060759 1274987969 /nfs/dbraw/zinc/98/79/69/1274987969.db2.gz BZIRFDXABNHNTP-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC001036063672 1274993746 /nfs/dbraw/zinc/99/37/46/1274993746.db2.gz KMZKBQVJINTUSS-QAPCUYQASA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036064111 1274994501 /nfs/dbraw/zinc/99/45/01/1274994501.db2.gz LPUHQIMQIPLUOE-PBHICJAKSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC001036064167 1274994606 /nfs/dbraw/zinc/99/46/06/1274994606.db2.gz MGYBYRSEIKYGNW-MAUKXSAKSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001036064097 1274994835 /nfs/dbraw/zinc/99/48/35/1274994835.db2.gz LOWJYZXCSVHIDM-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC001036066115 1275019790 /nfs/dbraw/zinc/01/97/90/1275019790.db2.gz QRLJZDBGWCBWKA-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC2CCCC2)C1 ZINC001112568055 1275221040 /nfs/dbraw/zinc/22/10/40/1275221040.db2.gz VKAYBUHSYOXEJL-ICSRJNTNSA-N 1 3 335.536 2.737 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036203664 1275221956 /nfs/dbraw/zinc/22/19/56/1275221956.db2.gz HFDBCNNHCRIRRE-DNVCBOLYSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036206178 1275224360 /nfs/dbraw/zinc/22/43/60/1275224360.db2.gz PNZNUCLCDJGECS-BEFAXECRSA-N 1 3 340.471 2.541 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001036206182 1275225031 /nfs/dbraw/zinc/22/50/31/1275225031.db2.gz PNZNUCLCDJGECS-HNAYVOBHSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC001036190344 1275246639 /nfs/dbraw/zinc/24/66/39/1275246639.db2.gz CWYOYSYBKZOFDS-WBVHZDCISA-N 1 3 349.544 2.807 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001036226853 1275256393 /nfs/dbraw/zinc/25/63/93/1275256393.db2.gz VLAXOZWIRAKQHX-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO CC[N@H+](CCOc1cccc(C)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114162 1275279879 /nfs/dbraw/zinc/27/98/79/1275279879.db2.gz RKLVOAVVHRVWCY-GOSISDBHSA-N 1 3 349.519 2.541 20 0 EFADHO CC[N@@H+](CCOc1cccc(C)c1)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114162 1275279889 /nfs/dbraw/zinc/27/98/89/1275279889.db2.gz RKLVOAVVHRVWCY-GOSISDBHSA-N 1 3 349.519 2.541 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112585744 1275308994 /nfs/dbraw/zinc/30/89/94/1275308994.db2.gz OZNBRLSLUNIVIN-NSHGMRRFSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112585743 1275309537 /nfs/dbraw/zinc/30/95/37/1275309537.db2.gz OZNBRLSLUNIVIN-BJLQDIEVSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CCF)C2)c1 ZINC001112585123 1275320442 /nfs/dbraw/zinc/32/04/42/1275320442.db2.gz AXWMLJLWTPZPML-ICSRJNTNSA-N 1 3 347.478 2.550 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)CN1CCCCC1 ZINC000786796605 1275542700 /nfs/dbraw/zinc/54/27/00/1275542700.db2.gz OMFWBAPSUXKGMN-SJORKVTESA-N 1 3 344.503 2.989 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408198 1275550330 /nfs/dbraw/zinc/55/03/30/1275550330.db2.gz FASZYOZHIRRAHC-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036414416 1275560432 /nfs/dbraw/zinc/56/04/32/1275560432.db2.gz OCLPHCJDBWIZNI-MJGOQNOKSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036416390 1275564764 /nfs/dbraw/zinc/56/47/64/1275564764.db2.gz ULNOGGDFLLUMQJ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086551473 1275726593 /nfs/dbraw/zinc/72/65/93/1275726593.db2.gz BOEFCYLKFWLHBC-JYJNAYRXSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086551473 1275726600 /nfs/dbraw/zinc/72/66/00/1275726600.db2.gz BOEFCYLKFWLHBC-JYJNAYRXSA-N 1 3 349.906 2.585 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001086552360 1275734752 /nfs/dbraw/zinc/73/47/52/1275734752.db2.gz GKDDJKZHJIJHRX-KLHDSHLOSA-N 1 3 349.906 2.837 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001086552360 1275734754 /nfs/dbraw/zinc/73/47/54/1275734754.db2.gz GKDDJKZHJIJHRX-KLHDSHLOSA-N 1 3 349.906 2.837 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001086551937 1275737820 /nfs/dbraw/zinc/73/78/20/1275737820.db2.gz QKTZGDJNZJOEET-DJIMGWMZSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001086551937 1275737822 /nfs/dbraw/zinc/73/78/22/1275737822.db2.gz QKTZGDJNZJOEET-DJIMGWMZSA-N 1 3 349.906 2.585 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086558323 1275882325 /nfs/dbraw/zinc/88/23/25/1275882325.db2.gz CDHYTMBQOVOVCP-SAABIXHNSA-N 1 3 329.488 2.646 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001135975742 1276274554 /nfs/dbraw/zinc/27/45/54/1276274554.db2.gz BRLUEGSLNMTRFT-NEPJUHHUSA-N 1 3 346.928 2.511 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135975754 1276274646 /nfs/dbraw/zinc/27/46/46/1276274646.db2.gz BWXXBGXBLZVYGR-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001135977533 1276275861 /nfs/dbraw/zinc/27/58/61/1276275861.db2.gz VBUOWNBEEBKYQE-DLBZAZTESA-N 1 3 345.531 2.890 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135995403 1276285691 /nfs/dbraw/zinc/28/56/91/1276285691.db2.gz DYESJSGQDLRFKS-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001135995403 1276285692 /nfs/dbraw/zinc/28/56/92/1276285692.db2.gz DYESJSGQDLRFKS-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001136031858 1276340580 /nfs/dbraw/zinc/34/05/80/1276340580.db2.gz RLPCSBVDFIJZFN-CVEARBPZSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2nc[nH]c2C)cs1 ZINC001136031945 1276341419 /nfs/dbraw/zinc/34/14/19/1276341419.db2.gz TZKSNAOBIVTRBP-VXGBXAGGSA-N 1 3 334.489 2.704 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)ccc12 ZINC000817880080 1276359300 /nfs/dbraw/zinc/35/93/00/1276359300.db2.gz LMUAECZGDYQEKC-KBMXLJTQSA-N 1 3 344.455 2.785 20 0 EFADHO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccc(N2CCCC2=O)cc1 ZINC000817897253 1276365202 /nfs/dbraw/zinc/36/52/02/1276365202.db2.gz IMWQLOZSOZQRRM-AWEZNQCLSA-N 1 3 338.455 2.826 20 0 EFADHO C[C@]1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCCNC1 ZINC000817966162 1276410312 /nfs/dbraw/zinc/41/03/12/1276410312.db2.gz HRJYRMBAFQGDFK-FQEVSTJZSA-N 1 3 345.487 2.767 20 0 EFADHO COc1ccc([C@H](NC[C@@H](C)N2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000817913125 1276374380 /nfs/dbraw/zinc/37/43/80/1276374380.db2.gz FHXGNNIDGXQRQJ-UXPWSPDFSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924165 1276379787 /nfs/dbraw/zinc/37/97/87/1276379787.db2.gz FJOVEHITDLIXSQ-KQLYMOGASA-N 1 3 340.467 2.729 20 0 EFADHO COCCc1nc(C)c([C@@H](C)NCc2ccc(CC[NH3+])cc2)s1 ZINC000817949912 1276394928 /nfs/dbraw/zinc/39/49/28/1276394928.db2.gz UFEFZLBPUSOWGS-CYBMUJFWSA-N 1 3 333.501 2.992 20 0 EFADHO C[C@H]([NH2+][C@H](CN)C1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817959159 1276400068 /nfs/dbraw/zinc/40/00/68/1276400068.db2.gz PULCRPPQZHMJCZ-WMQCIHAUSA-N 1 3 345.531 2.773 20 0 EFADHO Fc1ccc([C@@H]2CCNC[C@@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817981204 1276420532 /nfs/dbraw/zinc/42/05/32/1276420532.db2.gz ZYUARPMSUIXHDP-APWZRJJASA-N 1 3 348.462 2.794 20 0 EFADHO N[C@@H](CCC[NH3+])Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC001170899443 1276505007 /nfs/dbraw/zinc/50/50/07/1276505007.db2.gz CDHYBCQQYDCDMN-GOSISDBHSA-N 1 3 326.444 2.694 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170901468 1276519989 /nfs/dbraw/zinc/51/99/89/1276519989.db2.gz CNEWBQBCAJVAIH-KRWDZBQOSA-N 1 3 335.923 2.813 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000818961491 1276550730 /nfs/dbraw/zinc/55/07/30/1276550730.db2.gz SJNUGLORKMTGCT-IRXDYDNUSA-N 1 3 347.503 2.664 20 0 EFADHO COCCC[NH+]1CCC(NC[C@H](O)c2cccc3ccccc32)CC1 ZINC000819007004 1276569575 /nfs/dbraw/zinc/56/95/75/1276569575.db2.gz PTMMTJFBUINSNJ-NRFANRHFSA-N 1 3 342.483 2.964 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000819134232 1276622204 /nfs/dbraw/zinc/62/22/04/1276622204.db2.gz ZPMXCKOORLWSAE-BZUAXINKSA-N 1 3 341.293 2.945 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819132588 1276622365 /nfs/dbraw/zinc/62/23/65/1276622365.db2.gz FSJLUZMPQKKYMO-WOSRLPQWSA-N 1 3 341.293 2.945 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@]1(C)CC1(Cl)Cl ZINC000819346373 1276736844 /nfs/dbraw/zinc/73/68/44/1276736844.db2.gz FPYTYKJQVHKJJQ-GJZGRUSLSA-N 1 3 331.287 2.653 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@@H](O)CNC[C@]1(C)CC1(Cl)Cl ZINC000819346373 1276736849 /nfs/dbraw/zinc/73/68/49/1276736849.db2.gz FPYTYKJQVHKJJQ-GJZGRUSLSA-N 1 3 331.287 2.653 20 0 EFADHO C[C@@H](CCCCNC/C(Cl)=C/Cl)NC(=O)CCC[NH+](C)C ZINC001174961051 1287270031 /nfs/dbraw/zinc/27/00/31/1287270031.db2.gz JMNUYAOSZURQJL-UROBUVALSA-N 1 3 338.323 2.912 20 0 EFADHO Cc1cnc(CNCCCC[C@@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001174962340 1287270672 /nfs/dbraw/zinc/27/06/72/1287270672.db2.gz SWKDYLWUKMOYGR-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001005990389 1277315731 /nfs/dbraw/zinc/31/57/31/1277315731.db2.gz GDBAHADVCLBHLH-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(C[NH+](C)C)c1 ZINC000820813834 1277319821 /nfs/dbraw/zinc/31/98/21/1277319821.db2.gz CIEFQSDSZRRWNW-SWLSCSKDSA-N 1 3 343.393 2.562 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCc2cccs2)CC1 ZINC001005991507 1277321297 /nfs/dbraw/zinc/32/12/97/1277321297.db2.gz NLFSFPRAJRXRDN-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCc2cccs2)CC1 ZINC001005991508 1277321524 /nfs/dbraw/zinc/32/15/24/1277321524.db2.gz NLFSFPRAJRXRDN-MRXNPFEDSA-N 1 3 349.544 2.698 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C[C@@H](C)CC(C)C)CC2)C1 ZINC001113248357 1277374554 /nfs/dbraw/zinc/37/45/54/1277374554.db2.gz XHBOTVWWXYBMLX-OALUTQOASA-N 1 3 337.552 2.935 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCN(C[C@@H](C)CC(C)C)CC2)C1 ZINC001113248357 1277374561 /nfs/dbraw/zinc/37/45/61/1277374561.db2.gz XHBOTVWWXYBMLX-OALUTQOASA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001005998734 1277381575 /nfs/dbraw/zinc/38/15/75/1277381575.db2.gz UNLPUIGFZCSYMV-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001005997922 1277382094 /nfs/dbraw/zinc/38/20/94/1277382094.db2.gz QRHVQAYUMNTSQE-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001006001833 1277392002 /nfs/dbraw/zinc/39/20/02/1277392002.db2.gz RQTQZHPDYDXORW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001005999168 1277403146 /nfs/dbraw/zinc/40/31/46/1277403146.db2.gz ZPXCLTJNXDUQEK-KRWDZBQOSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001005999649 1277405630 /nfs/dbraw/zinc/40/56/30/1277405630.db2.gz CDDDGYRKGVVFJQ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000923286838 1277497732 /nfs/dbraw/zinc/49/77/32/1277497732.db2.gz ARAHBQCBXHFKST-AEGPPILISA-N 1 3 330.394 2.668 20 0 EFADHO O=C1O[C@]2(CN1CN1CCC[C@@H]1C1CCCCC1)C[NH+]1CCC2CC1 ZINC000790371234 1277509120 /nfs/dbraw/zinc/50/91/20/1277509120.db2.gz WLUJJRXTUHDZSF-QUCCMNQESA-N 1 3 347.503 2.905 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000821412492 1277540215 /nfs/dbraw/zinc/54/02/15/1277540215.db2.gz CFAWUGKLTPGMQB-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000821412492 1277540225 /nfs/dbraw/zinc/54/02/25/1277540225.db2.gz CFAWUGKLTPGMQB-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086591036 1277751913 /nfs/dbraw/zinc/75/19/13/1277751913.db2.gz PXUSBQYTUSIHJP-XUVXKRRUSA-N 1 3 343.515 2.853 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1c1ccccc1 ZINC001086591036 1277751916 /nfs/dbraw/zinc/75/19/16/1277751916.db2.gz PXUSBQYTUSIHJP-XUVXKRRUSA-N 1 3 343.515 2.853 20 0 EFADHO CC(C)(CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C[NH+]1CCCC1 ZINC000790749443 1277758022 /nfs/dbraw/zinc/75/80/22/1277758022.db2.gz DXOYAHYYMCGCGZ-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001178990158 1289014265 /nfs/dbraw/zinc/01/42/65/1289014265.db2.gz KOXFEHRPPLIQIU-BHYGNILZSA-N 1 3 337.533 2.600 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001175106163 1287311975 /nfs/dbraw/zinc/31/19/75/1287311975.db2.gz FKURHILGZIKUPU-PKOBYXMFSA-N 1 3 348.535 2.741 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091026546 1279351066 /nfs/dbraw/zinc/35/10/66/1279351066.db2.gz QCJHPDGNAYLWIP-VJFUWPCTSA-N 1 3 335.536 2.780 20 0 EFADHO COc1cc(CN2CCC(CC[NH3+])CC2)ccc1OC(=O)C1CC1 ZINC000844912421 1279360112 /nfs/dbraw/zinc/36/01/12/1279360112.db2.gz UUTPZPUXWQSMDA-UHFFFAOYSA-N 1 3 332.444 2.571 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1 ZINC001091059171 1279485198 /nfs/dbraw/zinc/48/51/98/1279485198.db2.gz GEWHZZIWDNUYTB-VMWRSERWSA-N 1 3 349.544 2.915 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2cccs2)C1 ZINC001091059823 1279485353 /nfs/dbraw/zinc/48/53/53/1279485353.db2.gz ZXFXLFXHFPRQPA-LEOMRAHMSA-N 1 3 349.544 2.649 20 0 EFADHO COCCN(Cc1c[nH]c2nc(Cl)ccc12)C1CC[NH+](C)CC1 ZINC001144414499 1279583361 /nfs/dbraw/zinc/58/33/61/1279583361.db2.gz ITABSCSPEXADNJ-UHFFFAOYSA-N 1 3 336.867 2.759 20 0 EFADHO COCCCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175298061 1287377605 /nfs/dbraw/zinc/37/76/05/1287377605.db2.gz ZSWVWEPRACBMKB-QGZVFWFLSA-N 1 3 343.556 2.656 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)CN2CCC[C@H]2C)c1 ZINC001175256902 1287381144 /nfs/dbraw/zinc/38/11/44/1287381144.db2.gz QFPKBVFIINIIHW-ZWKOTPCHSA-N 1 3 346.519 2.639 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CCC[C@@H]1C ZINC001175256218 1287381240 /nfs/dbraw/zinc/38/12/40/1287381240.db2.gz JDRDNXPDOPHVHI-HOTGVXAUSA-N 1 3 337.533 2.997 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CC[C@H](C)C1 ZINC001175262097 1287382688 /nfs/dbraw/zinc/38/26/88/1287382688.db2.gz ATKATRYJKOOFQI-IRXDYDNUSA-N 1 3 329.504 2.733 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265072 1287384851 /nfs/dbraw/zinc/38/48/51/1287384851.db2.gz XGLNCDCYYLJEMS-MSOLQXFVSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccc(F)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263695 1287384902 /nfs/dbraw/zinc/38/49/02/1287384902.db2.gz QOCOWZDSHIMOHS-IRXDYDNUSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175263735 1287385592 /nfs/dbraw/zinc/38/55/92/1287385592.db2.gz QVLXURNFWQAZNJ-HUUCEWRRSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccnc1)NC(=O)CN1CCC(C)(C)C1 ZINC001175273002 1287388696 /nfs/dbraw/zinc/38/86/96/1287388696.db2.gz MTRLMHRRZSOXTI-QGZVFWFLSA-N 1 3 346.519 2.578 20 0 EFADHO Cc1cc(=O)oc2cc(OCCN3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc12 ZINC000846224214 1280076042 /nfs/dbraw/zinc/07/60/42/1280076042.db2.gz HHHNEAANCCXZDO-YWZLYKJASA-N 1 3 342.439 2.541 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4scnc4c3)CC2)CC1 ZINC001144744140 1280084737 /nfs/dbraw/zinc/08/47/37/1280084737.db2.gz LQBDFHSJVFZQPF-UHFFFAOYSA-N 1 3 344.528 2.756 20 0 EFADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C1CC1 ZINC001129435275 1280199267 /nfs/dbraw/zinc/19/92/67/1280199267.db2.gz DONQMRYHISPXQZ-GOSISDBHSA-N 1 3 331.504 2.530 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091318549 1280318118 /nfs/dbraw/zinc/31/81/18/1280318118.db2.gz BOKLPFOVXXMBSN-CTWPCTMYSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849635 1280355417 /nfs/dbraw/zinc/35/54/17/1280355417.db2.gz ODSYPZDMGARIAH-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)Oc1ccccc1CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849635 1280355429 /nfs/dbraw/zinc/35/54/29/1280355429.db2.gz ODSYPZDMGARIAH-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001129949918 1280377939 /nfs/dbraw/zinc/37/79/39/1280377939.db2.gz KBYZFFIYPWYHSF-HNNXBMFYSA-N 1 3 346.302 2.785 20 0 EFADHO CC[C@H](NCCNC(=O)[C@H](C(C)C)[NH+](C)C)c1ccc(F)cc1F ZINC001129949695 1280378328 /nfs/dbraw/zinc/37/83/28/1280378328.db2.gz HQXJTUPUROWZIF-IRXDYDNUSA-N 1 3 341.446 2.708 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246996 1280432694 /nfs/dbraw/zinc/43/26/94/1280432694.db2.gz JHSHBZSJDWEIJF-TZMCWYRMSA-N 1 3 337.430 2.544 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN(C)C1CCC1 ZINC001171253320 1280529678 /nfs/dbraw/zinc/52/96/78/1280529678.db2.gz BTUQQBJMAPMNOZ-HNNXBMFYSA-N 1 3 337.533 2.997 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001130425277 1280856275 /nfs/dbraw/zinc/85/62/75/1280856275.db2.gz RHTFCVFWFIAABY-INIZCTEOSA-N 1 3 337.895 2.763 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001130425436 1280856937 /nfs/dbraw/zinc/85/69/37/1280856937.db2.gz ZFBLMXWUEBBJSR-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001146590934 1280945490 /nfs/dbraw/zinc/94/54/90/1280945490.db2.gz DVJTVKPOGUTEBL-JKSUJKDBSA-N 1 3 337.483 2.581 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595418 1280947191 /nfs/dbraw/zinc/94/71/91/1280947191.db2.gz ZAJNPMBTAGDWMZ-IRXDYDNUSA-N 1 3 333.520 2.962 20 0 EFADHO COc1ccc(C)cc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600312 1280949488 /nfs/dbraw/zinc/94/94/88/1280949488.db2.gz FWYKXRGLOQPYLD-DLBZAZTESA-N 1 3 349.519 2.717 20 0 EFADHO Cc1ccccc1OCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146601172 1280950002 /nfs/dbraw/zinc/95/00/02/1280950002.db2.gz KUVIWXDODBHQKW-ROUUACIJSA-N 1 3 349.519 2.587 20 0 EFADHO COc1ccc(C)cc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146600317 1280950067 /nfs/dbraw/zinc/95/00/67/1280950067.db2.gz FWYKXRGLOQPYLD-IRXDYDNUSA-N 1 3 349.519 2.717 20 0 EFADHO Cc1ccc(CNCCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c(C)n1 ZINC001130615611 1281048715 /nfs/dbraw/zinc/04/87/15/1281048715.db2.gz OLOOLGYEBJJLCO-UHFFFAOYSA-N 1 3 346.519 2.557 20 0 EFADHO Cc1ccc(CNCCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)c(C)n1 ZINC001130615611 1281048719 /nfs/dbraw/zinc/04/87/19/1281048719.db2.gz OLOOLGYEBJJLCO-UHFFFAOYSA-N 1 3 346.519 2.557 20 0 EFADHO CCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147558181 1281203307 /nfs/dbraw/zinc/20/33/07/1281203307.db2.gz OQHISFUHBKNNKE-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001147558181 1281203314 /nfs/dbraw/zinc/20/33/14/1281203314.db2.gz OQHISFUHBKNNKE-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001170524496 1281317407 /nfs/dbraw/zinc/31/74/07/1281317407.db2.gz NEVCZTXIECFYNS-AEFFLSMTSA-N 1 3 348.462 2.969 20 0 EFADHO Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1N ZINC001170525114 1281325077 /nfs/dbraw/zinc/32/50/77/1281325077.db2.gz GCXLZBHEGBDJNI-UHFFFAOYSA-N 1 3 349.482 2.882 20 0 EFADHO O=C(NCCNC1c2ccccc2-c2ccccc21)C12CC[NH+](CC1)C2 ZINC001147977840 1281371043 /nfs/dbraw/zinc/37/10/43/1281371043.db2.gz YASFOBXGYSDRCH-UHFFFAOYSA-N 1 3 347.462 2.558 20 0 EFADHO Nc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cn1 ZINC001170528543 1281372860 /nfs/dbraw/zinc/37/28/60/1281372860.db2.gz RTPRXWQYMSTUFK-UHFFFAOYSA-N 1 3 335.455 2.573 20 0 EFADHO Cc1cc(F)ccc1CN1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174832 1281442325 /nfs/dbraw/zinc/44/23/25/1281442325.db2.gz XTBYKFDGSODTNM-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210942 1281452510 /nfs/dbraw/zinc/45/25/10/1281452510.db2.gz YNJBTKSZNLATCA-UHFFFAOYSA-N 1 3 349.906 2.634 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292656 1281496550 /nfs/dbraw/zinc/49/65/50/1281496550.db2.gz ONCSETDJWJMZNO-DUMMIQTOSA-N 1 3 333.520 2.609 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001148292656 1281496554 /nfs/dbraw/zinc/49/65/54/1281496554.db2.gz ONCSETDJWJMZNO-DUMMIQTOSA-N 1 3 333.520 2.609 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC001148462624 1281560572 /nfs/dbraw/zinc/56/05/72/1281560572.db2.gz IZYONJMAIVKQCA-DHZHZOJOSA-N 1 3 341.499 2.576 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC001148462624 1281560576 /nfs/dbraw/zinc/56/05/76/1281560576.db2.gz IZYONJMAIVKQCA-DHZHZOJOSA-N 1 3 341.499 2.576 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccc(F)cc1)C2 ZINC001148551731 1281627518 /nfs/dbraw/zinc/62/75/18/1281627518.db2.gz SVKOADAQHDRGIO-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@@H](C)c1ccc(F)cc1)C2 ZINC001148551731 1281627530 /nfs/dbraw/zinc/62/75/30/1281627530.db2.gz SVKOADAQHDRGIO-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001148577916 1281657566 /nfs/dbraw/zinc/65/75/66/1281657566.db2.gz JPNFLMMTEKVELH-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001148577916 1281657578 /nfs/dbraw/zinc/65/75/78/1281657578.db2.gz JPNFLMMTEKVELH-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)C1 ZINC001170549916 1281660139 /nfs/dbraw/zinc/66/01/39/1281660139.db2.gz LEAWUJNUXUPNHU-MSOLQXFVSA-N 1 3 346.471 2.909 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]CCc1cccc(Cl)c1Cl ZINC001148642071 1281668593 /nfs/dbraw/zinc/66/85/93/1281668593.db2.gz DMGXWLAXYFJPTH-UHFFFAOYSA-N 1 3 346.302 2.584 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC001148651354 1281674232 /nfs/dbraw/zinc/67/42/32/1281674232.db2.gz BNRNBUNPUHNOHA-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001148651354 1281674244 /nfs/dbraw/zinc/67/42/44/1281674244.db2.gz BNRNBUNPUHNOHA-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148652197 1281674675 /nfs/dbraw/zinc/67/46/75/1281674675.db2.gz ZAPCCQCDIWTMTF-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1cccc(F)c1)C2 ZINC001148652197 1281674685 /nfs/dbraw/zinc/67/46/85/1281674685.db2.gz ZAPCCQCDIWTMTF-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001148654793 1281675705 /nfs/dbraw/zinc/67/57/05/1281675705.db2.gz AMZJLZAUQMMKCS-LBPRGKRZSA-N 1 3 329.847 2.588 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001148638678 1281703947 /nfs/dbraw/zinc/70/39/47/1281703947.db2.gz MWSYDFPHOSXUKV-UHFFFAOYSA-N 1 3 333.520 2.776 20 0 EFADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834221 1281759681 /nfs/dbraw/zinc/75/96/81/1281759681.db2.gz YKWUXWADYHSOOE-QWNKOJSDSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCCN3CC)C2)C1 ZINC001148834221 1281759688 /nfs/dbraw/zinc/75/96/88/1281759688.db2.gz YKWUXWADYHSOOE-QWNKOJSDSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148833957 1281760583 /nfs/dbraw/zinc/76/05/83/1281760583.db2.gz OAULZMPKGCVSEH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2 ZINC001148833957 1281760588 /nfs/dbraw/zinc/76/05/88/1281760588.db2.gz OAULZMPKGCVSEH-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCC1CCCCC1)C2 ZINC001148838880 1281779245 /nfs/dbraw/zinc/77/92/45/1281779245.db2.gz GESGWQQWYQIVJW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCCC1)C2 ZINC001148838880 1281779250 /nfs/dbraw/zinc/77/92/50/1281779250.db2.gz GESGWQQWYQIVJW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c(C)c1 ZINC001148843323 1281782928 /nfs/dbraw/zinc/78/29/28/1281782928.db2.gz FTEFXDKJHZYPDH-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c(C)c1 ZINC001148843323 1281782930 /nfs/dbraw/zinc/78/29/30/1281782930.db2.gz FTEFXDKJHZYPDH-UHFFFAOYSA-N 1 3 343.515 2.678 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758916 1281795666 /nfs/dbraw/zinc/79/56/66/1281795666.db2.gz QTNKRKPMEHOBPP-HBFSDRIKSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)C[C@@]2(C)C1)N(C)C ZINC001091758916 1281795669 /nfs/dbraw/zinc/79/56/69/1281795669.db2.gz QTNKRKPMEHOBPP-HBFSDRIKSA-N 1 3 335.536 2.543 20 0 EFADHO CN(CCCN(C)Cc1cc(Cl)nc(Cl)c1)CC[NH+](C)C ZINC000808781824 1281897641 /nfs/dbraw/zinc/89/76/41/1281897641.db2.gz SXIRZWAIVCPTQU-UHFFFAOYSA-N 1 3 333.307 2.704 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)[C@H]1CCCN1C)CC[NH+](CCC1CC1)CC2 ZINC001086907885 1281907914 /nfs/dbraw/zinc/90/79/14/1281907914.db2.gz GJNVIQBQMJMGHD-SJLPKXTDSA-N 1 3 333.520 2.584 20 0 EFADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562009 1281916021 /nfs/dbraw/zinc/91/60/21/1281916021.db2.gz WAIVIBXSHLHGGZ-SVFBPWRDSA-N 1 3 342.483 2.926 20 0 EFADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)C1 ZINC001170562009 1281916027 /nfs/dbraw/zinc/91/60/27/1281916027.db2.gz WAIVIBXSHLHGGZ-SVFBPWRDSA-N 1 3 342.483 2.926 20 0 EFADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942146 1281971269 /nfs/dbraw/zinc/97/12/69/1281971269.db2.gz KBCJFEJRPFSWQQ-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](CCC1CC1)CC2)N(C)C ZINC001086942989 1281973111 /nfs/dbraw/zinc/97/31/11/1281973111.db2.gz HGZXZHWXYXLPBD-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C[C@@H]2C)CC[NH+](CC2CCC2)CC3)C1 ZINC001086942698 1281973829 /nfs/dbraw/zinc/97/38/29/1281973829.db2.gz YNEMVQZOCUIHJC-MSOLQXFVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C[C@@H]2C)CC[NH+](CCC2CC2)CC3)C1 ZINC001086942634 1281974410 /nfs/dbraw/zinc/97/44/10/1281974410.db2.gz XDKWNWUOCGEKSZ-MSOLQXFVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](Nc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1)[C@@H]1CNCCO1 ZINC001170571007 1282041681 /nfs/dbraw/zinc/04/16/81/1282041681.db2.gz XJRFLCGRNSTANO-QRWLVFNGSA-N 1 3 342.487 2.595 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358792 1282046975 /nfs/dbraw/zinc/04/69/75/1282046975.db2.gz KFLIFCGCJVTWRU-ROUUACIJSA-N 1 3 343.556 2.652 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCCCCF)N(C)C ZINC001171366645 1282104403 /nfs/dbraw/zinc/10/44/03/1282104403.db2.gz BJXXHQDCPKOUCC-IRXDYDNUSA-N 1 3 331.520 2.977 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCOCCC(C)C ZINC001175785887 1287552043 /nfs/dbraw/zinc/55/20/43/1287552043.db2.gz GFEPOBYTSRVLAM-SFHVURJKSA-N 1 3 343.556 2.656 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091782875 1282149387 /nfs/dbraw/zinc/14/93/87/1282149387.db2.gz KFHLHVSZXAPZQU-HLIPFELVSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@]2(C)C1)N(C)C ZINC001091782875 1282149391 /nfs/dbraw/zinc/14/93/91/1282149391.db2.gz KFHLHVSZXAPZQU-HLIPFELVSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091782813 1282149588 /nfs/dbraw/zinc/14/95/88/1282149588.db2.gz HKWBGSJNRWTHLP-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091782813 1282149592 /nfs/dbraw/zinc/14/95/92/1282149592.db2.gz HKWBGSJNRWTHLP-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171368850 1282178930 /nfs/dbraw/zinc/17/89/30/1282178930.db2.gz SSWRLSQENLTOBA-MJGOQNOKSA-N 1 3 348.535 2.741 20 0 EFADHO CC(C)COCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171370633 1282209303 /nfs/dbraw/zinc/20/93/03/1282209303.db2.gz ZIDOMGMIOXJYRD-ROUUACIJSA-N 1 3 343.556 2.510 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092010568 1282337517 /nfs/dbraw/zinc/33/75/17/1282337517.db2.gz GZILGSPCSCKPPV-HLIPFELVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001092010568 1282337522 /nfs/dbraw/zinc/33/75/22/1282337522.db2.gz GZILGSPCSCKPPV-HLIPFELVSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCCC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013175 1282338090 /nfs/dbraw/zinc/33/80/90/1282338090.db2.gz KUOGIQOYMMWZMQ-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCCC4CCC4)C[C@@]3(C)C2)C1 ZINC001092013175 1282338101 /nfs/dbraw/zinc/33/81/01/1282338101.db2.gz KUOGIQOYMMWZMQ-QFUCXCTJSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014853 1282338495 /nfs/dbraw/zinc/33/84/95/1282338495.db2.gz GBNHAJJVKOHDMW-HLIPFELVSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014853 1282338504 /nfs/dbraw/zinc/33/85/04/1282338504.db2.gz GBNHAJJVKOHDMW-HLIPFELVSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@H+](CCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001092013432 1282339271 /nfs/dbraw/zinc/33/92/71/1282339271.db2.gz QBUGKNWSXDWAKZ-QKLQHJQFSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]3C[N@@H+](CCC(C)(C)C)C[C@@]3(C)C2)C1 ZINC001092013432 1282339277 /nfs/dbraw/zinc/33/92/77/1282339277.db2.gz QBUGKNWSXDWAKZ-QKLQHJQFSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1 ZINC001092014670 1282339731 /nfs/dbraw/zinc/33/97/31/1282339731.db2.gz CLXLFALAWZFIOM-PKZBPHAMSA-N 1 3 347.547 2.545 20 0 EFADHO CC1CC(C[N@H+]2C[C@@H]3CN(C(=O)CN4CCC(C)(C)C4)C[C@]3(C)C2)C1 ZINC001092014670 1282339739 /nfs/dbraw/zinc/33/97/39/1282339739.db2.gz CLXLFALAWZFIOM-PKZBPHAMSA-N 1 3 347.547 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C)C[C@@]2(C)C1)N(C)C ZINC001092021753 1282342100 /nfs/dbraw/zinc/34/21/00/1282342100.db2.gz HKCXXTLMUHQSHP-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C)C[C@@]2(C)C1)N(C)C ZINC001092021753 1282342108 /nfs/dbraw/zinc/34/21/08/1282342108.db2.gz HKCXXTLMUHQSHP-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3csc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022166 1282342212 /nfs/dbraw/zinc/34/22/12/1282342212.db2.gz PRITZVUXBGCVRT-AOIWGVFYSA-N 1 3 349.544 2.677 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3csc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001092022166 1282342221 /nfs/dbraw/zinc/34/22/21/1282342221.db2.gz PRITZVUXBGCVRT-AOIWGVFYSA-N 1 3 349.544 2.677 20 0 EFADHO C[NH+](C)C1(CC(=O)NCCNCc2cccc(Cl)c2)CCCC1 ZINC001131837094 1282426994 /nfs/dbraw/zinc/42/69/94/1282426994.db2.gz OPPNXIXHHFDRIY-UHFFFAOYSA-N 1 3 337.895 2.810 20 0 EFADHO CN1CCN(C2CC[NH+]([C@H]3CCc4c(F)cc(F)cc4C3)CC2)CC1 ZINC001171380960 1282830774 /nfs/dbraw/zinc/83/07/74/1282830774.db2.gz PXUZITQXUGINSX-SFHVURJKSA-N 1 3 349.469 2.534 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093120 1287605546 /nfs/dbraw/zinc/60/55/46/1287605546.db2.gz IPYXPJABSGQEPE-JSGCOSHPSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093120 1287605552 /nfs/dbraw/zinc/60/55/52/1287605552.db2.gz IPYXPJABSGQEPE-JSGCOSHPSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093121 1287605879 /nfs/dbraw/zinc/60/58/79/1287605879.db2.gz IPYXPJABSGQEPE-OCCSQVGLSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093121 1287605883 /nfs/dbraw/zinc/60/58/83/1287605883.db2.gz IPYXPJABSGQEPE-OCCSQVGLSA-N 1 3 341.908 2.624 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CN1CCCCCF ZINC001132150659 1283046150 /nfs/dbraw/zinc/04/61/50/1283046150.db2.gz UWEOERKBWBPXEZ-SJORKVTESA-N 1 3 339.499 2.724 20 0 EFADHO Cc1ccccc1CN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266675 1283221139 /nfs/dbraw/zinc/22/11/39/1283221139.db2.gz YLZZALMPWVHVJC-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)CC[C@@H]2C)cc1 ZINC001132266279 1283221245 /nfs/dbraw/zinc/22/12/45/1283221245.db2.gz WGNARCQHOOSFAD-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717703 1283224824 /nfs/dbraw/zinc/22/48/24/1283224824.db2.gz ZVJHNKHQPPUNSU-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)CC[C@@H]21 ZINC001036717703 1283224827 /nfs/dbraw/zinc/22/48/27/1283224827.db2.gz ZVJHNKHQPPUNSU-MSOLQXFVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[NH+](CC)CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000810435277 1283228206 /nfs/dbraw/zinc/22/82/06/1283228206.db2.gz VFWLWWNBIXWGFT-IBGZPJMESA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2c(c1)CCC2 ZINC001132274037 1283243850 /nfs/dbraw/zinc/24/38/50/1283243850.db2.gz NNYDUEJCINPJMP-UZLBHIALSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]2C)c1 ZINC001132274561 1283244675 /nfs/dbraw/zinc/24/46/75/1283244675.db2.gz WODDNEBDYIILJO-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc(C2CC2)cc1 ZINC001132277289 1283248264 /nfs/dbraw/zinc/24/82/64/1283248264.db2.gz FEFMURYUGIAAII-OXJNMPFZSA-N 1 3 343.515 2.985 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736702 1283317596 /nfs/dbraw/zinc/31/75/96/1283317596.db2.gz FCZHOQNRYGIHLN-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCCC2)C1)C1CCC1 ZINC001036736702 1283317605 /nfs/dbraw/zinc/31/76/05/1283317605.db2.gz FCZHOQNRYGIHLN-UYAOXDASSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737014 1283318167 /nfs/dbraw/zinc/31/81/67/1283318167.db2.gz KNDAGHQFRWWZEY-WMZOPIPTSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737014 1283318179 /nfs/dbraw/zinc/31/81/79/1283318179.db2.gz KNDAGHQFRWWZEY-WMZOPIPTSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737012 1283319162 /nfs/dbraw/zinc/31/91/62/1283319162.db2.gz KNDAGHQFRWWZEY-FUHWJXTLSA-N 1 3 347.528 2.655 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)C1)C1CCC1 ZINC001036737012 1283319169 /nfs/dbraw/zinc/31/91/69/1283319169.db2.gz KNDAGHQFRWWZEY-FUHWJXTLSA-N 1 3 347.528 2.655 20 0 EFADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036754930 1283423702 /nfs/dbraw/zinc/42/37/02/1283423702.db2.gz NVYAMEOYSTZQNP-WBVHZDCISA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2CCF)C1 ZINC001036754930 1283423712 /nfs/dbraw/zinc/42/37/12/1283423712.db2.gz NVYAMEOYSTZQNP-WBVHZDCISA-N 1 3 339.499 2.532 20 0 EFADHO C[C@H](F)CC[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222182 1283511889 /nfs/dbraw/zinc/51/18/89/1283511889.db2.gz IWEPMVDYKGKHRP-JTDSTZFVSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@H](F)CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222182 1283511896 /nfs/dbraw/zinc/51/18/96/1283511896.db2.gz IWEPMVDYKGKHRP-JTDSTZFVSA-N 1 3 349.494 2.794 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[C@H](C)N(CCOC)C1 ZINC001132419853 1283514090 /nfs/dbraw/zinc/51/40/90/1283514090.db2.gz JCXPUKJHCJANJJ-ZWKOTPCHSA-N 1 3 341.540 2.504 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410845 1283530379 /nfs/dbraw/zinc/53/03/79/1283530379.db2.gz PCCHBKUVYCAXPP-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410845 1283530388 /nfs/dbraw/zinc/53/03/88/1283530388.db2.gz PCCHBKUVYCAXPP-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001132411376 1283532749 /nfs/dbraw/zinc/53/27/49/1283532749.db2.gz ZABQNLWTNSQLDK-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(CCc2ccccc2F)C1 ZINC001132411376 1283532759 /nfs/dbraw/zinc/53/27/59/1283532759.db2.gz ZABQNLWTNSQLDK-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132437176 1283575881 /nfs/dbraw/zinc/57/58/81/1283575881.db2.gz RAVVDBHJQNWFDP-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132437176 1283575892 /nfs/dbraw/zinc/57/58/92/1283575892.db2.gz RAVVDBHJQNWFDP-IEBWSBKVSA-N 1 3 331.504 2.888 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132437177 1283576801 /nfs/dbraw/zinc/57/68/01/1283576801.db2.gz RAVVDBHJQNWFDP-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001132437177 1283576804 /nfs/dbraw/zinc/57/68/04/1283576804.db2.gz RAVVDBHJQNWFDP-MJGOQNOKSA-N 1 3 331.504 2.888 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CCCCNCc1nc(C)cs1 ZINC001176024450 1287660233 /nfs/dbraw/zinc/66/02/33/1287660233.db2.gz OHIPSRVHPINHFL-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CCCCNCc1nc(C)cs1 ZINC001176024450 1287660236 /nfs/dbraw/zinc/66/02/36/1287660236.db2.gz OHIPSRVHPINHFL-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361045 1283781320 /nfs/dbraw/zinc/78/13/20/1283781320.db2.gz HFNVGXHYNNZHCX-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093361045 1283781328 /nfs/dbraw/zinc/78/13/28/1283781328.db2.gz HFNVGXHYNNZHCX-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093362677 1283786015 /nfs/dbraw/zinc/78/60/15/1283786015.db2.gz VRVMLKLKFDHQQL-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093362677 1283786032 /nfs/dbraw/zinc/78/60/32/1283786032.db2.gz VRVMLKLKFDHQQL-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093372042 1283809034 /nfs/dbraw/zinc/80/90/34/1283809034.db2.gz YCUOCAPNWAUATA-QGZVFWFLSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093372042 1283809047 /nfs/dbraw/zinc/80/90/47/1283809047.db2.gz YCUOCAPNWAUATA-QGZVFWFLSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093372186 1283811968 /nfs/dbraw/zinc/81/19/68/1283811968.db2.gz YUIIXALMSRSZCF-RBUKOAKNSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093372186 1283811974 /nfs/dbraw/zinc/81/19/74/1283811974.db2.gz YUIIXALMSRSZCF-RBUKOAKNSA-N 1 3 347.547 2.828 20 0 EFADHO CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379922 1283842170 /nfs/dbraw/zinc/84/21/70/1283842170.db2.gz LWFMFAXQNZSOKA-IBGZPJMESA-N 1 3 344.503 2.845 20 0 EFADHO CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001093379922 1283842176 /nfs/dbraw/zinc/84/21/76/1283842176.db2.gz LWFMFAXQNZSOKA-IBGZPJMESA-N 1 3 344.503 2.845 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2[N@H+](CC)CC23CCC3)CC1 ZINC001093384424 1283860576 /nfs/dbraw/zinc/86/05/76/1283860576.db2.gz ZLAZQESJDPACKE-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001093384424 1283860583 /nfs/dbraw/zinc/86/05/83/1283860583.db2.gz ZLAZQESJDPACKE-MOPGFXCFSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)CN(C)C(C)C)CC1 ZINC001132554229 1283926896 /nfs/dbraw/zinc/92/68/96/1283926896.db2.gz DMHCDNOSCKZAJS-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CC[N@H+]1CCC[C@H](N(Cc2ccccn2)C(=O)CN(C)C(C)C)CC1 ZINC001132554229 1283926903 /nfs/dbraw/zinc/92/69/03/1283926903.db2.gz DMHCDNOSCKZAJS-IBGZPJMESA-N 1 3 346.519 2.625 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036821361 1284062874 /nfs/dbraw/zinc/06/28/74/1284062874.db2.gz YTVCAHHDOAVRDC-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@@H]21 ZINC001036821361 1284062879 /nfs/dbraw/zinc/06/28/79/1284062879.db2.gz YTVCAHHDOAVRDC-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)C1 ZINC001176056845 1287687202 /nfs/dbraw/zinc/68/72/02/1287687202.db2.gz LAKPPMCVWNBXFM-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCCCNCc2cc(Cl)ccc2Cl)C1 ZINC001176056845 1287687212 /nfs/dbraw/zinc/68/72/12/1287687212.db2.gz LAKPPMCVWNBXFM-LBPRGKRZSA-N 1 3 344.286 2.541 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086695119 1284337631 /nfs/dbraw/zinc/33/76/31/1284337631.db2.gz BYLDAKBMXOYMFZ-XUVXKRRUSA-N 1 3 343.515 2.934 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCCCCF ZINC001132887803 1284422576 /nfs/dbraw/zinc/42/25/76/1284422576.db2.gz IJBMWIDGJPSZGG-DLBZAZTESA-N 1 3 341.515 2.685 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132888128 1284423366 /nfs/dbraw/zinc/42/33/66/1284423366.db2.gz LEKMKXLRHQZKJW-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C ZINC001132888930 1284424866 /nfs/dbraw/zinc/42/48/66/1284424866.db2.gz SWHNHDFYDOVQAD-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132892345 1284427058 /nfs/dbraw/zinc/42/70/58/1284427058.db2.gz DSCSQGZQPPSHTB-IAGOWNOFSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCCCCF ZINC001132892341 1284427575 /nfs/dbraw/zinc/42/75/75/1284427575.db2.gz DPUHEQRBJNSHHV-IAGOWNOFSA-N 1 3 341.515 2.685 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132893782 1284429797 /nfs/dbraw/zinc/42/97/97/1284429797.db2.gz SDAAWYKYMVEXJK-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C ZINC001132893781 1284430069 /nfs/dbraw/zinc/43/00/69/1284430069.db2.gz SDAAWYKYMVEXJK-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001132938307 1284491305 /nfs/dbraw/zinc/49/13/05/1284491305.db2.gz TVCQRKAKRHGAOV-IRXDYDNUSA-N 1 3 343.531 2.931 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001094020535 1284713404 /nfs/dbraw/zinc/71/34/04/1284713404.db2.gz JJRBODYHSOYYSK-MISYRCLQSA-N 1 3 345.531 2.765 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2cccc(F)c2)[C@H](C)C1)N(C)C ZINC001094020509 1284713577 /nfs/dbraw/zinc/71/35/77/1284713577.db2.gz HMIJGSGADUNOQA-SZVBFZGTSA-N 1 3 349.494 2.596 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCCCC3)[C@H](C)C2)C1 ZINC001094042773 1284729734 /nfs/dbraw/zinc/72/97/34/1284729734.db2.gz ZITPILDKNORDIB-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001094042090 1284729781 /nfs/dbraw/zinc/72/97/81/1284729781.db2.gz JEEOZEDKIXROMU-YVWKXTFCSA-N 1 3 343.515 2.521 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1)N(C)C ZINC001094049061 1284732316 /nfs/dbraw/zinc/73/23/16/1284732316.db2.gz BSNWODWENNCJIJ-RLLQIKCJSA-N 1 3 345.531 2.828 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C ZINC001133120932 1284830516 /nfs/dbraw/zinc/83/05/16/1284830516.db2.gz CLDHSZKXKSYEOD-QZTJIDSGSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]C/C=C/Cl ZINC001133122013 1284832913 /nfs/dbraw/zinc/83/29/13/1284832913.db2.gz NNLQFVHYRQIXCP-CGMDNHBQSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCCC1CCC1 ZINC001133135692 1284850743 /nfs/dbraw/zinc/85/07/43/1284850743.db2.gz VMPINEDNRHSLRE-WBVHZDCISA-N 1 3 332.492 2.607 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001133176664 1284934505 /nfs/dbraw/zinc/93/45/05/1284934505.db2.gz AEFUCRXTWRPUQW-ROUUACIJSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133178030 1284935455 /nfs/dbraw/zinc/93/54/55/1284935455.db2.gz JTFZKVOOGKQNBM-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001133177763 1284935941 /nfs/dbraw/zinc/93/59/41/1284935941.db2.gz HHJSZTLKLAMCCA-NVXWUHKLSA-N 1 3 337.533 2.664 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCCCCF)C1 ZINC001133178427 1284936730 /nfs/dbraw/zinc/93/67/30/1284936730.db2.gz QTXODHSWVLDDLP-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133178198 1284937297 /nfs/dbraw/zinc/93/72/97/1284937297.db2.gz MKAAHBPPICADBS-AEFFLSMTSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133178537 1284937432 /nfs/dbraw/zinc/93/74/32/1284937432.db2.gz SQWKFQKHTMCPEP-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC2)C1 ZINC001133185522 1284950955 /nfs/dbraw/zinc/95/09/55/1284950955.db2.gz FCLNIGPFOWRYIP-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC)C1 ZINC001133185616 1284952760 /nfs/dbraw/zinc/95/27/60/1284952760.db2.gz GLKPZSGYJYIXNW-QZTJIDSGSA-N 1 3 325.541 2.983 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194626 1284972082 /nfs/dbraw/zinc/97/20/82/1284972082.db2.gz IEIKFRLHZAATSS-OALUTQOASA-N 1 3 335.536 2.759 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2 ZINC001094413774 1285038665 /nfs/dbraw/zinc/03/86/65/1285038665.db2.gz JIWRGTINIGZPBN-QWFCFKBJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001094413774 1285038675 /nfs/dbraw/zinc/03/86/75/1285038675.db2.gz JIWRGTINIGZPBN-QWFCFKBJSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(C)C)CC2 ZINC001094430555 1285072359 /nfs/dbraw/zinc/07/23/59/1285072359.db2.gz QJAWNUURMZHQQE-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001094430555 1285072370 /nfs/dbraw/zinc/07/23/70/1285072370.db2.gz QJAWNUURMZHQQE-QWFCFKBJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133274091 1285113890 /nfs/dbraw/zinc/11/38/90/1285113890.db2.gz BAUVKULCWFDWOU-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001133274496 1285115051 /nfs/dbraw/zinc/11/50/51/1285115051.db2.gz JBBYGPWJZZPUOC-AZUAARDMSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133275042 1285115574 /nfs/dbraw/zinc/11/55/74/1285115574.db2.gz OLNCWVKYQHDZSP-IRXDYDNUSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133275357 1285115795 /nfs/dbraw/zinc/11/57/95/1285115795.db2.gz RTUWKSLXLIDHSH-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133276024 1285115985 /nfs/dbraw/zinc/11/59/85/1285115985.db2.gz YWCZRYNPYDDZEF-AEFFLSMTSA-N 1 3 325.541 2.839 20 0 EFADHO C[NH+]1CCC(C(=O)NCCNCc2cc(Cl)cc(Cl)c2)CC1 ZINC001133287025 1285126609 /nfs/dbraw/zinc/12/66/09/1285126609.db2.gz COFINMQBHWPREX-UHFFFAOYSA-N 1 3 344.286 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1)N1CCCCC1 ZINC001110157965 1285152794 /nfs/dbraw/zinc/15/27/94/1285152794.db2.gz BWDSBFABBJTNIK-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC1)N1CCCCC1 ZINC001110157965 1285152800 /nfs/dbraw/zinc/15/28/00/1285152800.db2.gz BWDSBFABBJTNIK-YDZRNGNQSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133346726 1285206530 /nfs/dbraw/zinc/20/65/30/1285206530.db2.gz OLXINILLUHSXSJ-HKUYNNGSSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133346727 1285206840 /nfs/dbraw/zinc/20/68/40/1285206840.db2.gz OLXINILLUHSXSJ-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133346774 1285214067 /nfs/dbraw/zinc/21/40/67/1285214067.db2.gz PBUZNJYFQHRJOE-UYAOXDASSA-N 1 3 345.531 2.644 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345543 1285227461 /nfs/dbraw/zinc/22/74/61/1285227461.db2.gz DNOPRESVPGXNTB-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133346133 1285228387 /nfs/dbraw/zinc/22/83/87/1285228387.db2.gz JVOBIPICYFETLZ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C ZINC001133345884 1285228841 /nfs/dbraw/zinc/22/88/41/1285228841.db2.gz ICVZWUFBRLKXRF-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133347220 1285235469 /nfs/dbraw/zinc/23/54/69/1285235469.db2.gz UWYVEZSCFYUEAN-WMZOPIPTSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]2C)cc1 ZINC001133347548 1285236955 /nfs/dbraw/zinc/23/69/55/1285236955.db2.gz XPCVIQSDWWURGN-UYAOXDASSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001133416001 1285379828 /nfs/dbraw/zinc/37/98/28/1285379828.db2.gz YHHBWRTZQGMGSW-XJKSGUPXSA-N 1 3 325.884 2.693 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902269 1285381443 /nfs/dbraw/zinc/38/14/43/1285381443.db2.gz IEHMJVDZZHCMEI-MJGOQNOKSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)CC[C@@H]21 ZINC001036902269 1285381454 /nfs/dbraw/zinc/38/14/54/1285381454.db2.gz IEHMJVDZZHCMEI-MJGOQNOKSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001133419717 1285382206 /nfs/dbraw/zinc/38/22/06/1285382206.db2.gz VSFBILGSRSMIQJ-DLBZAZTESA-N 1 3 337.895 2.619 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC3CC3)C2)c1 ZINC001036903054 1285383719 /nfs/dbraw/zinc/38/37/19/1285383719.db2.gz UPBQEIGOSLKFDA-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3CC3CC3)C2)c1 ZINC001036903054 1285383728 /nfs/dbraw/zinc/38/37/28/1285383728.db2.gz UPBQEIGOSLKFDA-WOJBJXKFSA-N 1 3 341.499 2.695 20 0 EFADHO Cc1cccc2c1CC[C@H](N1CCN(CC[NH+]3CCCC3)CC1)C2 ZINC001171574998 1285653408 /nfs/dbraw/zinc/65/34/08/1285653408.db2.gz UGNFBOJVKDGQNR-FQEVSTJZSA-N 1 3 327.516 2.566 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1ccc(F)cc1Cl ZINC001171576227 1285655864 /nfs/dbraw/zinc/65/58/64/1285655864.db2.gz SLLYMULJMNPKRC-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@H](CN2CCOCC2)C(C)(C)C)CC1(C)C ZINC001171629175 1285661724 /nfs/dbraw/zinc/66/17/24/1285661724.db2.gz ORIKRFKMRONMDC-QGZVFWFLSA-N 1 3 339.568 2.974 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H](CN2CCOCC2)C(C)(C)C)CC1(C)C ZINC001171629175 1285661730 /nfs/dbraw/zinc/66/17/30/1285661730.db2.gz ORIKRFKMRONMDC-QGZVFWFLSA-N 1 3 339.568 2.974 20 0 EFADHO CN1C(C)(C)CC([NH2+]CC2CCN(c3ncccn3)CC2)CC1(C)C ZINC001171626842 1285691771 /nfs/dbraw/zinc/69/17/71/1285691771.db2.gz CYAACASMBAAVOT-UHFFFAOYSA-N 1 3 345.535 2.934 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC1(C)C ZINC001171634824 1285715883 /nfs/dbraw/zinc/71/58/83/1285715883.db2.gz HUSLQKXDXYOHMY-HXUWFJFHSA-N 1 3 343.519 2.783 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)CC1(C)C ZINC001171634824 1285715890 /nfs/dbraw/zinc/71/58/90/1285715890.db2.gz HUSLQKXDXYOHMY-HXUWFJFHSA-N 1 3 343.519 2.783 20 0 EFADHO COCC[N@H+](C1CCN(C)CC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171635993 1285716088 /nfs/dbraw/zinc/71/60/88/1285716088.db2.gz BPWIWJMHPISEBD-UHFFFAOYSA-N 1 3 325.541 2.680 20 0 EFADHO COCC[N@@H+](C1CCN(C)CC1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171635993 1285716097 /nfs/dbraw/zinc/71/60/97/1285716097.db2.gz BPWIWJMHPISEBD-UHFFFAOYSA-N 1 3 325.541 2.680 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340474913 1289025672 /nfs/dbraw/zinc/02/56/72/1289025672.db2.gz PYUYDBYPQRXAQT-QQXKLLMISA-N 1 3 333.524 2.965 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CCCN2C[C@H](C)C[C@@H](C)C2)[C@@H](n2cncn2)C1 ZINC000340474913 1289025676 /nfs/dbraw/zinc/02/56/76/1289025676.db2.gz PYUYDBYPQRXAQT-QQXKLLMISA-N 1 3 333.524 2.965 20 0 EFADHO C[NH+]1C(C)(C)CC(N2CCCN(c3ncccn3)CC2)CC1(C)C ZINC001171639345 1285717876 /nfs/dbraw/zinc/71/78/76/1285717876.db2.gz GRYUHUWCSGAHCH-UHFFFAOYSA-N 1 3 331.508 2.640 20 0 EFADHO CN1C(C)(C)CC([N@@H+]2CCCN(c3ncccn3)CC2)CC1(C)C ZINC001171639345 1285717880 /nfs/dbraw/zinc/71/78/80/1285717880.db2.gz GRYUHUWCSGAHCH-UHFFFAOYSA-N 1 3 331.508 2.640 20 0 EFADHO CN1C(C)(C)CC([N@H+]2CCCN(c3ncccn3)CC2)CC1(C)C ZINC001171639345 1285717886 /nfs/dbraw/zinc/71/78/86/1285717886.db2.gz GRYUHUWCSGAHCH-UHFFFAOYSA-N 1 3 331.508 2.640 20 0 EFADHO CCOC(=O)NC1CC[NH+](C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171640564 1285718939 /nfs/dbraw/zinc/71/89/39/1285718939.db2.gz FIMYATQNJGFFPT-UHFFFAOYSA-N 1 3 325.497 2.848 20 0 EFADHO CCOC(=O)NC1CCN(C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171640564 1285718944 /nfs/dbraw/zinc/71/89/44/1285718944.db2.gz FIMYATQNJGFFPT-UHFFFAOYSA-N 1 3 325.497 2.848 20 0 EFADHO CCC1=NC2(CC[NH+](C3CC(C)(C)N(C)C(C)(C)C3)CC2)C(=O)N1C ZINC001171640890 1285719312 /nfs/dbraw/zinc/71/93/12/1285719312.db2.gz KACRWQQAZYPMIF-UHFFFAOYSA-N 1 3 348.535 2.753 20 0 EFADHO COCC[N@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755259 1285764532 /nfs/dbraw/zinc/76/45/32/1285764532.db2.gz MVELLWYLGASVQZ-WIYYLYMNSA-N 1 3 345.531 2.692 20 0 EFADHO COCC[N@@H+]([C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C1CCN(C)CC1 ZINC001171755259 1285764533 /nfs/dbraw/zinc/76/45/33/1285764533.db2.gz MVELLWYLGASVQZ-WIYYLYMNSA-N 1 3 345.531 2.692 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1C ZINC001171757997 1285766656 /nfs/dbraw/zinc/76/66/56/1285766656.db2.gz RZZMVPJPNNZSPB-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001171762802 1285769753 /nfs/dbraw/zinc/76/97/53/1285769753.db2.gz LQYBIKNZIBGKAW-SFHVURJKSA-N 1 3 331.504 2.544 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001171763177 1285770593 /nfs/dbraw/zinc/77/05/93/1285770593.db2.gz UJIHATAOBCNPPJ-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1c(C)cccc1Cl ZINC001171763023 1285770687 /nfs/dbraw/zinc/77/06/87/1285770687.db2.gz QZKCXJXUMGHTIJ-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1 ZINC001171769607 1285776517 /nfs/dbraw/zinc/77/65/17/1285776517.db2.gz AHSJNGBMAZGBPC-UHFFFAOYSA-N 1 3 327.472 2.778 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001171770362 1285776974 /nfs/dbraw/zinc/77/69/74/1285776974.db2.gz OPGVOAHLSWHSGV-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC001133684948 1285778341 /nfs/dbraw/zinc/77/83/41/1285778341.db2.gz NXGBIQGPIGSYKK-MRXNPFEDSA-N 1 3 343.874 2.805 20 0 EFADHO CC[C@H](C(=O)NCCNCc1ccc(Cl)s1)[NH+](CC)CC ZINC001133685347 1285779436 /nfs/dbraw/zinc/77/94/36/1285779436.db2.gz UFSYTSSVOCIODZ-CYBMUJFWSA-N 1 3 331.913 2.728 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171871524 1285832262 /nfs/dbraw/zinc/83/22/62/1285832262.db2.gz OVJXBGACPJLLDT-MOPGFXCFSA-N 1 3 329.488 2.755 20 0 EFADHO O=C1C[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172004690 1285949445 /nfs/dbraw/zinc/94/94/45/1285949445.db2.gz IVNNKJVKNZCJJU-SFHVURJKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C1C[C@@H]([NH2+]C2CCN(CC3CCCCC3)CC2)CCN1C1CC1 ZINC001172004690 1285949451 /nfs/dbraw/zinc/94/94/51/1285949451.db2.gz IVNNKJVKNZCJJU-SFHVURJKSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]1COCCN1CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974712 1285957649 /nfs/dbraw/zinc/95/76/49/1285957649.db2.gz IUJIZOXKFPNLSL-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1COCCN1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974712 1285957657 /nfs/dbraw/zinc/95/76/57/1285957657.db2.gz IUJIZOXKFPNLSL-ICSRJNTNSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1COCCN1CCN[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974714 1285957805 /nfs/dbraw/zinc/95/78/05/1285957805.db2.gz IUJIZOXKFPNLSL-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO C[C@@H]1COCCN1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974714 1285957816 /nfs/dbraw/zinc/95/78/16/1285957816.db2.gz IUJIZOXKFPNLSL-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976897 1285960156 /nfs/dbraw/zinc/96/01/56/1285960156.db2.gz VFQVQPJZTIDRFR-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976897 1285960158 /nfs/dbraw/zinc/96/01/58/1285960158.db2.gz VFQVQPJZTIDRFR-RTBURBONSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C)C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976165 1285960254 /nfs/dbraw/zinc/96/02/54/1285960254.db2.gz IVKYCBLAAQXQEV-PMACEKPBSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976165 1285960256 /nfs/dbraw/zinc/96/02/56/1285960256.db2.gz IVKYCBLAAQXQEV-PMACEKPBSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC001133819621 1285974431 /nfs/dbraw/zinc/97/44/31/1285974431.db2.gz JLJGONZKDMQTLT-INIZCTEOSA-N 1 3 325.456 2.530 20 0 EFADHO CCN1CC[C@@H](N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)CC1=O ZINC001172048128 1285989320 /nfs/dbraw/zinc/98/93/20/1285989320.db2.gz MYVCRIHPVBBFPO-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CCN1CC[C@@H](N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)CC1=O ZINC001172048128 1285989325 /nfs/dbraw/zinc/98/93/25/1285989325.db2.gz MYVCRIHPVBBFPO-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC1(F)CN(C(=O)OC(C)(C)C)C1)C2 ZINC001172100800 1286006434 /nfs/dbraw/zinc/00/64/34/1286006434.db2.gz UDCZDRJZKRSYAH-QKDCVEJESA-N 1 3 341.471 2.550 20 0 EFADHO COc1cccc(OC2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001172130258 1286013821 /nfs/dbraw/zinc/01/38/21/1286013821.db2.gz HVXJKFHEWKPEBO-BJWYYQGGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccc(OC2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001172130258 1286013824 /nfs/dbraw/zinc/01/38/24/1286013824.db2.gz HVXJKFHEWKPEBO-BJWYYQGGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172130446 1286014723 /nfs/dbraw/zinc/01/47/23/1286014723.db2.gz ILXUMZMTYMJSOM-YYIAUSFCSA-N 1 3 331.460 2.559 20 0 EFADHO COc1cccnc1O[C@@H]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172130446 1286014727 /nfs/dbraw/zinc/01/47/27/1286014727.db2.gz ILXUMZMTYMJSOM-YYIAUSFCSA-N 1 3 331.460 2.559 20 0 EFADHO Cc1cc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)ncn1 ZINC001172132789 1286015475 /nfs/dbraw/zinc/01/54/75/1286015475.db2.gz NZIRCRYNLAURLF-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(O[C@@H]2CCCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)ncn1 ZINC001172132789 1286015479 /nfs/dbraw/zinc/01/54/79/1286015479.db2.gz NZIRCRYNLAURLF-XMTFNYHQSA-N 1 3 330.476 2.644 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C2 ZINC001172103578 1286021297 /nfs/dbraw/zinc/02/12/97/1286021297.db2.gz VZPJWDIBBIEHKV-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1CN1CCOCC1)C2 ZINC001172103578 1286021300 /nfs/dbraw/zinc/02/13/00/1286021300.db2.gz VZPJWDIBBIEHKV-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1ccccc1CN1CCOCC1)C2 ZINC001172103578 1286021303 /nfs/dbraw/zinc/02/13/03/1286021303.db2.gz VZPJWDIBBIEHKV-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO COC(=O)N1CCC2(CC1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172109168 1286023192 /nfs/dbraw/zinc/02/31/92/1286023192.db2.gz CAXDQVADUGMZPM-PIIMJCKOSA-N 1 3 349.519 2.946 20 0 EFADHO CCN(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(=O)OC(C)(C)C ZINC001172110283 1286024016 /nfs/dbraw/zinc/02/40/16/1286024016.db2.gz MIHHDAYHSBFAEI-MUJYYYPQSA-N 1 3 325.497 2.848 20 0 EFADHO CCN(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(=O)OC(C)(C)C ZINC001172110283 1286024020 /nfs/dbraw/zinc/02/40/20/1286024020.db2.gz MIHHDAYHSBFAEI-MUJYYYPQSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001133845813 1286024127 /nfs/dbraw/zinc/02/41/27/1286024127.db2.gz NUHJREJZVSDLDW-MRXNPFEDSA-N 1 3 329.488 2.502 20 0 EFADHO CC(C)c1ccc([C@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001133845973 1286025128 /nfs/dbraw/zinc/02/51/28/1286025128.db2.gz QWNXWBBIBKIFCH-SJORKVTESA-N 1 3 331.504 2.919 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001133846165 1286025557 /nfs/dbraw/zinc/02/55/57/1286025557.db2.gz VHMPKHZNVZHUBM-QGZVFWFLSA-N 1 3 343.515 2.892 20 0 EFADHO COC(=O)C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C)c1ccc(O)cc1 ZINC001172117448 1286027074 /nfs/dbraw/zinc/02/70/74/1286027074.db2.gz LSYSEPJTFXDOAI-XLMAVXFVSA-N 1 3 332.444 2.601 20 0 EFADHO COc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172121952 1286029390 /nfs/dbraw/zinc/02/93/90/1286029390.db2.gz NXWDKZSLURVDCT-ACDBMABISA-N 1 3 343.515 2.828 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001172121601 1286030095 /nfs/dbraw/zinc/03/00/95/1286030095.db2.gz LAFRFCNYLGYXRF-AERCQKQUSA-N 1 3 327.516 2.862 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCc3ccccc3)CC1)C2 ZINC001172121601 1286030097 /nfs/dbraw/zinc/03/00/97/1286030097.db2.gz LAFRFCNYLGYXRF-AERCQKQUSA-N 1 3 327.516 2.862 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC001133856647 1286030595 /nfs/dbraw/zinc/03/05/95/1286030595.db2.gz MRTYLRUOXVWSKX-PXNSSMCTSA-N 1 3 347.478 2.592 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(Cc3ccccc3F)CC1)C2 ZINC001172123307 1286032324 /nfs/dbraw/zinc/03/23/24/1286032324.db2.gz ZNBSCRPTAFHIRA-REPLKXPHSA-N 1 3 331.479 2.959 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172182395 1286049551 /nfs/dbraw/zinc/04/95/51/1286049551.db2.gz GWZJNAKFMXXZKE-RBUKOAKNSA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172182395 1286049554 /nfs/dbraw/zinc/04/95/54/1286049554.db2.gz GWZJNAKFMXXZKE-RBUKOAKNSA-N 1 3 333.520 2.869 20 0 EFADHO C[NH+]1CCC(CN2CCN([C@@H]3CSc4ccccc4C3)CC2)CC1 ZINC001172209589 1286053259 /nfs/dbraw/zinc/05/32/59/1286053259.db2.gz SBZFXSQEVZMURU-IBGZPJMESA-N 1 3 345.556 2.663 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+]C[C@@H](C)CN)CC1 ZINC001172211650 1286053907 /nfs/dbraw/zinc/05/39/07/1286053907.db2.gz YBRPCEDVPCQCRI-BELGNNRLSA-N 1 3 338.879 2.878 20 0 EFADHO c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)CS2 ZINC001172198313 1286067303 /nfs/dbraw/zinc/06/73/03/1286067303.db2.gz PFUDWFJGHCDZNF-KZNAEPCWSA-N 1 3 332.513 2.936 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001133896901 1286077656 /nfs/dbraw/zinc/07/76/56/1286077656.db2.gz ULCJQRBDHIANOP-UHFFFAOYSA-N 1 3 329.488 2.502 20 0 EFADHO COCCCN1CCC([NH2+]Cc2ccccc2N2CCCC2)CC1 ZINC001172244570 1286077648 /nfs/dbraw/zinc/07/76/48/1286077648.db2.gz VDBKJWJENXVQKC-UHFFFAOYSA-N 1 3 331.504 2.877 20 0 EFADHO COCCCN1CCC([NH2+]Cc2cc(Cl)nc(Cl)c2)CC1 ZINC001172245408 1286077855 /nfs/dbraw/zinc/07/78/55/1286077855.db2.gz VLRLNMZRWRBZTR-UHFFFAOYSA-N 1 3 332.275 2.979 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001172253855 1286083735 /nfs/dbraw/zinc/08/37/35/1286083735.db2.gz DIHRRBDEXXDXTO-SFHVURJKSA-N 1 3 332.488 2.985 20 0 EFADHO CN(CC(=O)NCC[NH2+]CCc1ccc(Cl)cc1)CC(C)(C)C ZINC001133906476 1286089673 /nfs/dbraw/zinc/08/96/73/1286089673.db2.gz XJRJUGPNABJJGF-UHFFFAOYSA-N 1 3 339.911 2.566 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001133908497 1286092202 /nfs/dbraw/zinc/09/22/02/1286092202.db2.gz UMCNSQCVMCZOPX-KRWDZBQOSA-N 1 3 337.483 2.961 20 0 EFADHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCOC(C)C)C2 ZINC001172445286 1286151912 /nfs/dbraw/zinc/15/19/12/1286151912.db2.gz CHQVOYKCOJBQPK-YZGWKJHDSA-N 1 3 338.536 2.870 20 0 EFADHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN([C@H](C)CCOC(C)C)C2 ZINC001172445286 1286151918 /nfs/dbraw/zinc/15/19/18/1286151918.db2.gz CHQVOYKCOJBQPK-YZGWKJHDSA-N 1 3 338.536 2.870 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)N(C)C)c1ccc(Cl)cc1 ZINC001133965585 1286171811 /nfs/dbraw/zinc/17/18/11/1286171811.db2.gz ACRYYANPKUSOEW-CVEARBPZSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]CCCc1cccc2ccccc21)N(C)C ZINC001133965993 1286172532 /nfs/dbraw/zinc/17/25/32/1286172532.db2.gz SMHRPTMSBNCKRF-FQEVSTJZSA-N 1 3 341.499 2.818 20 0 EFADHO CC(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094923120 1286182845 /nfs/dbraw/zinc/18/28/45/1286182845.db2.gz NFXSDDRONJMDTH-KSZLIROESA-N 1 3 335.536 2.876 20 0 EFADHO CCCCCC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001206169795 1286227870 /nfs/dbraw/zinc/22/78/70/1286227870.db2.gz QFYBRRZWJSFTLD-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CCC[NH+]1CCCC1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172677399 1286242427 /nfs/dbraw/zinc/24/24/27/1286242427.db2.gz RGLFYOWSLROMDD-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO CN(C1CC1)C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172679946 1286244520 /nfs/dbraw/zinc/24/45/20/1286244520.db2.gz HYIKOAULCYEAQA-FQEVSTJZSA-N 1 3 341.499 2.736 20 0 EFADHO CN1CCC[C@H]1CC[NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172806757 1286285758 /nfs/dbraw/zinc/28/57/58/1286285758.db2.gz WXMJZKOPSONBTH-YNBOMUFVSA-N 1 3 335.492 2.767 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172971437 1286360960 /nfs/dbraw/zinc/36/09/60/1286360960.db2.gz NTHSFKDGOXSTMW-YESZJQIVSA-N 1 3 339.524 2.906 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172971437 1286360968 /nfs/dbraw/zinc/36/09/68/1286360968.db2.gz NTHSFKDGOXSTMW-YESZJQIVSA-N 1 3 339.524 2.906 20 0 EFADHO c1nc2c(s1)C[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001173131463 1286418281 /nfs/dbraw/zinc/41/82/81/1286418281.db2.gz LAGPNLYNCBCDNM-QGZVFWFLSA-N 1 3 342.512 2.897 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173135980 1286423722 /nfs/dbraw/zinc/42/37/22/1286423722.db2.gz ZFYOTHTXBZCTLU-APWZRJJASA-N 1 3 349.544 2.823 20 0 EFADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN([C@@H]3CCc4ncsc4C3)C2)C1 ZINC001173135980 1286423726 /nfs/dbraw/zinc/42/37/26/1286423726.db2.gz ZFYOTHTXBZCTLU-APWZRJJASA-N 1 3 349.544 2.823 20 0 EFADHO CCOC(=O)CC1([NH3+])CCN([C@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173252413 1286489483 /nfs/dbraw/zinc/48/94/83/1286489483.db2.gz LGLXGUCMGSDRBD-MRXNPFEDSA-N 1 3 332.488 2.927 20 0 EFADHO CCOC(=O)CC1(N)CC[NH+]([C@H](C)Cc2ccc(CC)cc2)CC1 ZINC001173252413 1286489487 /nfs/dbraw/zinc/48/94/87/1286489487.db2.gz LGLXGUCMGSDRBD-MRXNPFEDSA-N 1 3 332.488 2.927 20 0 EFADHO CCSC[C@H](C)[NH+]1CCC2(CCCN2Cc2cnn(C)c2)CC1 ZINC001173303764 1286514166 /nfs/dbraw/zinc/51/41/66/1286514166.db2.gz KNYWQDFWKOOYRN-INIZCTEOSA-N 1 3 336.549 2.992 20 0 EFADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H](C)CCCCC(=O)OC)CC1 ZINC001173458831 1286613080 /nfs/dbraw/zinc/61/30/80/1286613080.db2.gz ZOQSOMANXFZMDF-WMZOPIPTSA-N 1 3 340.508 2.684 20 0 EFADHO CCOCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368872 1286638201 /nfs/dbraw/zinc/63/82/01/1286638201.db2.gz BPFBJWCWUPEUQA-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO COCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001134368797 1286639449 /nfs/dbraw/zinc/63/94/49/1286639449.db2.gz AKIPBWSBTLMTHN-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO CCOC(=O)C[C@@H]1CC[C@@H](N2CCC([NH3+])(Cc3cccnc3)CC2)C1 ZINC001173630907 1286724475 /nfs/dbraw/zinc/72/44/75/1286724475.db2.gz BGOBDZADRADLIU-SJLPKXTDSA-N 1 3 345.487 2.539 20 0 EFADHO [NH3+]C1(CC2CCC2)CCN(C2CCN(CC(F)(F)F)CC2)CC1 ZINC001173667692 1286745163 /nfs/dbraw/zinc/74/51/63/1286745163.db2.gz RLXMQCKPNFUWSI-UHFFFAOYSA-N 1 3 333.442 2.997 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173768877 1286783129 /nfs/dbraw/zinc/78/31/29/1286783129.db2.gz HHHWKTFKCXUMRB-OALUTQOASA-N 1 3 346.523 2.886 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173768877 1286783138 /nfs/dbraw/zinc/78/31/38/1286783138.db2.gz HHHWKTFKCXUMRB-OALUTQOASA-N 1 3 346.523 2.886 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583079 1286916575 /nfs/dbraw/zinc/91/65/75/1286916575.db2.gz FJKOKPBKYNWENW-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)C1(N(C)C)CCC1)[NH2+]CC=C(Cl)Cl ZINC001134583976 1286916975 /nfs/dbraw/zinc/91/69/75/1286916975.db2.gz POEKRZPEMOZJOD-NEPJUHHUSA-N 1 3 336.307 2.663 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001134583700 1286917065 /nfs/dbraw/zinc/91/70/65/1286917065.db2.gz NLYVURHOGAHOLC-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134583382 1286917320 /nfs/dbraw/zinc/91/73/20/1286917320.db2.gz JVVDFCJAKCFHOP-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001134583535 1286917654 /nfs/dbraw/zinc/91/76/54/1286917654.db2.gz MFHFDPRBURXOQF-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+]C[C@@H](C)OC ZINC001179838649 1289281613 /nfs/dbraw/zinc/28/16/13/1289281613.db2.gz IUCWZGBSCZADLJ-GOSISDBHSA-N 1 3 343.556 2.800 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583614 1286917853 /nfs/dbraw/zinc/91/78/53/1286917853.db2.gz MOWMMDBHAILWHS-ROUUACIJSA-N 1 3 345.531 2.895 20 0 EFADHO Cc1ccc(F)c(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001134584556 1286918150 /nfs/dbraw/zinc/91/81/50/1286918150.db2.gz VDLYLWSFAPBEDE-HOTGVXAUSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CC=C(Cl)Cl)NC(=O)C1(N(C)C)CCC1 ZINC001134583977 1286918932 /nfs/dbraw/zinc/91/89/32/1286918932.db2.gz POEKRZPEMOZJOD-NWDGAFQWSA-N 1 3 336.307 2.663 20 0 EFADHO NCc1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)ccn1 ZINC000822766162 1289112398 /nfs/dbraw/zinc/11/23/98/1289112398.db2.gz NXOAQWQMLPYVHM-UHFFFAOYSA-N 1 3 335.411 2.853 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001134612184 1286950001 /nfs/dbraw/zinc/95/00/01/1286950001.db2.gz IWXLWEWEGDTPNL-UONOGXRCSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134608093 1286968990 /nfs/dbraw/zinc/96/89/90/1286968990.db2.gz QNJROQHKNXEBTG-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001174692483 1287113761 /nfs/dbraw/zinc/11/37/61/1287113761.db2.gz UEXYPRILXSRRAP-AWEZNQCLSA-N 1 3 340.471 2.606 20 0 EFADHO C[C@H](CCCC[NH2+]CCCF)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769223 1287120627 /nfs/dbraw/zinc/12/06/27/1287120627.db2.gz FYYOHIYAFGIGOX-MRXNPFEDSA-N 1 3 329.504 2.875 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001134762748 1287159783 /nfs/dbraw/zinc/15/97/83/1287159783.db2.gz FHJHSUXLTBQHFG-AWEZNQCLSA-N 1 3 337.430 2.688 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001134763352 1287159962 /nfs/dbraw/zinc/15/99/62/1287159962.db2.gz VKQSZEZJIPELGY-SFHVURJKSA-N 1 3 335.467 2.625 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001134766363 1287163429 /nfs/dbraw/zinc/16/34/29/1287163429.db2.gz GGRCMUQFBZZHAT-HOTGVXAUSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC1CCC(F)(F)CC1 ZINC001134765966 1287163506 /nfs/dbraw/zinc/16/35/06/1287163506.db2.gz BJOHPTBXVBTUQF-MRXNPFEDSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001134767169 1287163622 /nfs/dbraw/zinc/16/36/22/1287163622.db2.gz RJSYWHNGYVLFMC-HOTGVXAUSA-N 1 3 345.478 2.781 20 0 EFADHO CCc1ccc(CC[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001134767354 1287164070 /nfs/dbraw/zinc/16/40/70/1287164070.db2.gz WOZVJLKATKVKEA-HXUWFJFHSA-N 1 3 345.531 2.760 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001134769328 1287166878 /nfs/dbraw/zinc/16/68/78/1287166878.db2.gz KMFPWMCZRUTVLP-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cnc(C)s1 ZINC001134772249 1287168994 /nfs/dbraw/zinc/16/89/94/1287168994.db2.gz AOINWZLTUPOIRN-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cnc(C)s1 ZINC001134772252 1287170138 /nfs/dbraw/zinc/17/01/38/1287170138.db2.gz AOINWZLTUPOIRN-STQMWFEESA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1ccccc1 ZINC001134773114 1287170193 /nfs/dbraw/zinc/17/01/93/1287170193.db2.gz LFOWBLFIZJHOBV-IAGOWNOFSA-N 1 3 349.519 2.669 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001134773084 1287170273 /nfs/dbraw/zinc/17/02/73/1287170273.db2.gz KUHGPKKPHYSCEL-LSDHHAIUSA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001134773930 1287171541 /nfs/dbraw/zinc/17/15/41/1287171541.db2.gz RQIFNZPJEPGLIH-KONFJKIVSA-N 1 3 338.323 2.909 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001134773930 1287171544 /nfs/dbraw/zinc/17/15/44/1287171544.db2.gz RQIFNZPJEPGLIH-KONFJKIVSA-N 1 3 338.323 2.909 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC001134773171 1287171567 /nfs/dbraw/zinc/17/15/67/1287171567.db2.gz MVKGKIGDAJIYPG-HZPDHXFCSA-N 1 3 349.519 2.798 20 0 EFADHO C[C@H](C(=O)NCCN[C@@H](C)c1ccccc1F)[NH+]1CCCCCC1 ZINC001134754480 1287172663 /nfs/dbraw/zinc/17/26/63/1287172663.db2.gz PLZLIEWGBVWSTB-JKSUJKDBSA-N 1 3 335.467 2.857 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC001134774416 1287173198 /nfs/dbraw/zinc/17/31/98/1287173198.db2.gz YENYMXLGQGAOEH-GJZGRUSLSA-N 1 3 337.483 2.929 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114484049 1287197486 /nfs/dbraw/zinc/19/74/86/1287197486.db2.gz QNPKTZCJZFBWSL-ZSGPHXLJSA-N 1 3 347.478 2.663 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21 ZINC001114484049 1287197488 /nfs/dbraw/zinc/19/74/88/1287197488.db2.gz QNPKTZCJZFBWSL-ZSGPHXLJSA-N 1 3 347.478 2.663 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)c1ccccc1F ZINC001179439669 1289140144 /nfs/dbraw/zinc/14/01/44/1289140144.db2.gz VXECOOPMTOMKSF-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)s1 ZINC001176276857 1287919090 /nfs/dbraw/zinc/91/90/90/1287919090.db2.gz BXGQKQVTYUPOGK-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CC[C@H]1CCCCO1 ZINC001176285727 1287923581 /nfs/dbraw/zinc/92/35/81/1287923581.db2.gz PXSLZMZRWGXPHR-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1cccc(F)c1 ZINC001176286077 1287923714 /nfs/dbraw/zinc/92/37/14/1287923714.db2.gz TZMOOPHMEYQYRX-INIZCTEOSA-N 1 3 337.483 2.932 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001176286473 1287924385 /nfs/dbraw/zinc/92/43/85/1287924385.db2.gz WMPIDWVZISJUOT-JFBXQDQPSA-N 1 3 338.323 2.912 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1ccccc1 ZINC001176286940 1287924566 /nfs/dbraw/zinc/92/45/66/1287924566.db2.gz ZVVIXQYEOAXXOP-GOSISDBHSA-N 1 3 333.520 2.836 20 0 EFADHO CCCC[NH2+]CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206275206 1288016201 /nfs/dbraw/zinc/01/62/01/1288016201.db2.gz PXUATOWRASQTBN-IBGZPJMESA-N 1 3 341.515 2.827 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCN[C@H](C)c1ccccc1F)C(C)C ZINC001135474682 1288024670 /nfs/dbraw/zinc/02/46/70/1288024670.db2.gz XBSOPPYHWCAUSH-QAPCUYQASA-N 1 3 337.483 2.959 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566137 1288041907 /nfs/dbraw/zinc/04/19/07/1288041907.db2.gz YPUOMZBKAFMDGS-ZZHYBKPNSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176566137 1288041916 /nfs/dbraw/zinc/04/19/16/1288041916.db2.gz YPUOMZBKAFMDGS-ZZHYBKPNSA-N 1 3 336.307 2.522 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CCC(C)(C)C1 ZINC001135475927 1288046486 /nfs/dbraw/zinc/04/64/86/1288046486.db2.gz HBEAFODQGZZBIZ-ZIAGYGMSSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1ncccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135475637 1288046683 /nfs/dbraw/zinc/04/66/83/1288046683.db2.gz DGKLIJGZPNPATH-CVEARBPZSA-N 1 3 348.535 2.741 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC001135510825 1288067155 /nfs/dbraw/zinc/06/71/55/1288067155.db2.gz GISRVFHBGQKVBU-UHFFFAOYSA-N 1 3 337.467 2.804 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746092 1288092967 /nfs/dbraw/zinc/09/29/67/1288092967.db2.gz FBYSMBPSJQPTPL-IRXDYDNUSA-N 1 3 349.519 2.661 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176753311 1288119106 /nfs/dbraw/zinc/11/91/06/1288119106.db2.gz FSMUGGJDCGVWQW-MRXNPFEDSA-N 1 3 337.483 2.931 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccc(F)cc1 ZINC001176753310 1288119255 /nfs/dbraw/zinc/11/92/55/1288119255.db2.gz FSMUGGJDCGVWQW-INIZCTEOSA-N 1 3 337.483 2.931 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccc1F ZINC001176753195 1288119451 /nfs/dbraw/zinc/11/94/51/1288119451.db2.gz CQHATRULPLHCGT-INIZCTEOSA-N 1 3 337.483 2.931 20 0 EFADHO Cc1ncsc1C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C(C)C ZINC001176754868 1288120095 /nfs/dbraw/zinc/12/00/95/1288120095.db2.gz ZRALCLZVDMKBPI-AWEZNQCLSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C/Cl ZINC001176753690 1288120847 /nfs/dbraw/zinc/12/08/47/1288120847.db2.gz KSVFJNKGTDYRSU-CKXDQPNJSA-N 1 3 338.323 2.910 20 0 EFADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCCN1CC ZINC001176760163 1288122848 /nfs/dbraw/zinc/12/28/48/1288122848.db2.gz QQQCTPQURBASNR-ZWKOTPCHSA-N 1 3 341.540 2.552 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NCCCNC/C(Cl)=C/Cl)c1 ZINC001176889948 1288163642 /nfs/dbraw/zinc/16/36/42/1288163642.db2.gz IYFMRYHMMIYMKR-GDNBJRDFSA-N 1 3 344.286 2.777 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccccc1Cl ZINC001179489604 1289161155 /nfs/dbraw/zinc/16/11/55/1289161155.db2.gz CRRBDWDFHAHPMN-KEYYUXOJSA-N 1 3 337.895 2.932 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001176971529 1288199271 /nfs/dbraw/zinc/19/92/71/1288199271.db2.gz BUSUCWDRGZNQDU-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001176972176 1288201600 /nfs/dbraw/zinc/20/16/00/1288201600.db2.gz PLPQWEHHHFZYRM-UHFFFAOYSA-N 1 3 327.419 2.560 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001176975902 1288202463 /nfs/dbraw/zinc/20/24/63/1288202463.db2.gz ZYBIZTLPSHIYTE-INIZCTEOSA-N 1 3 331.504 2.672 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001176986568 1288208204 /nfs/dbraw/zinc/20/82/04/1288208204.db2.gz RIYCMMJXOCMWSF-UHFFFAOYSA-N 1 3 345.409 2.642 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1cccc(C)c1 ZINC001176987025 1288208381 /nfs/dbraw/zinc/20/83/81/1288208381.db2.gz ZPLSWXUKYYPLOF-HXUWFJFHSA-N 1 3 345.531 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001176992698 1288218311 /nfs/dbraw/zinc/21/83/11/1288218311.db2.gz XVECNTSLRXAXPC-INIZCTEOSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1F ZINC001176992777 1288218717 /nfs/dbraw/zinc/21/87/17/1288218717.db2.gz ZSVRACRXHHRTHJ-MAUKXSAKSA-N 1 3 335.467 2.857 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001135691153 1288267555 /nfs/dbraw/zinc/26/75/55/1288267555.db2.gz PGBSIFBBGZCREQ-ZWKOTPCHSA-N 1 3 348.535 2.967 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C ZINC001179534633 1289167552 /nfs/dbraw/zinc/16/75/52/1289167552.db2.gz RHRBWYPOUSYVJN-CSRLUQBMSA-N 1 3 341.499 2.763 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001135706622 1288290788 /nfs/dbraw/zinc/29/07/88/1288290788.db2.gz XQKFFHWVSHYHTJ-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135706674 1288290815 /nfs/dbraw/zinc/29/08/15/1288290815.db2.gz ZEDSMCSTLDXHFG-SJORKVTESA-N 1 3 349.519 2.718 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135743176 1288323166 /nfs/dbraw/zinc/32/31/66/1288323166.db2.gz GGDOWZMDBPPCCD-NQNZFTEYSA-N 1 3 331.504 2.915 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135743632 1288324133 /nfs/dbraw/zinc/32/41/33/1288324133.db2.gz NFHLWOVJSVOZFS-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CC(C)[C@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001179499178 1289171261 /nfs/dbraw/zinc/17/12/61/1289171261.db2.gz NXEIEMQUPMIIDJ-CQSZACIVSA-N 1 3 339.446 2.791 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135743972 1288325339 /nfs/dbraw/zinc/32/53/39/1288325339.db2.gz SNJBTKATZYNPAR-IAGOWNOFSA-N 1 3 349.519 2.548 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCC(F)(F)F ZINC001179580266 1289201484 /nfs/dbraw/zinc/20/14/84/1289201484.db2.gz BKSOZTHLGWQHJX-CQSZACIVSA-N 1 3 337.430 2.689 20 0 EFADHO CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H](C(C)C)N(C)C ZINC001177342827 1288400230 /nfs/dbraw/zinc/40/02/30/1288400230.db2.gz WIKUETADFHVFMV-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(CCC[NH2+]CC2CC2)CC2CCCC2)C1 ZINC001177415916 1288423907 /nfs/dbraw/zinc/42/39/07/1288423907.db2.gz OHBSEVIVRRWXSR-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO O=C(Cc1c[nH]cn1)N(CCC[NH2+]CCC1CC1)CC1CCCC1 ZINC001177431264 1288437117 /nfs/dbraw/zinc/43/71/17/1288437117.db2.gz QKLDIKNAWIHFAM-UHFFFAOYSA-N 1 3 332.492 2.751 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCCCCC[NH2+]C/C(Cl)=C/Cl ZINC001178045024 1288635119 /nfs/dbraw/zinc/63/51/19/1288635119.db2.gz ANTRXEKLAXOWKU-YBEMTRGBSA-N 1 3 336.307 2.666 20 0 EFADHO Cc1csc(CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)n1 ZINC001135961276 1288702234 /nfs/dbraw/zinc/70/22/34/1288702234.db2.gz OBPDCWKVFFINBD-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001135979821 1288704071 /nfs/dbraw/zinc/70/40/71/1288704071.db2.gz JGBNBPXRIKWHIW-DLBZAZTESA-N 1 3 349.519 2.718 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCOc1ccccc1C ZINC001135979144 1288704453 /nfs/dbraw/zinc/70/44/53/1288704453.db2.gz COAFUTLYOARIGV-ZWKOTPCHSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001135980295 1288705350 /nfs/dbraw/zinc/70/53/50/1288705350.db2.gz NEZGIAPECAYFNM-HZPDHXFCSA-N 1 3 339.549 2.895 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135981095 1288706529 /nfs/dbraw/zinc/70/65/29/1288706529.db2.gz XVABJSOSJWPABD-IAGOWNOFSA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC001135981055 1288706626 /nfs/dbraw/zinc/70/66/26/1288706626.db2.gz WXPJWPMFQVVKIP-HOTGVXAUSA-N 1 3 337.483 2.583 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135980946 1288706835 /nfs/dbraw/zinc/70/68/35/1288706835.db2.gz VIIOAGCXZPVMJK-CVEARBPZSA-N 1 3 344.503 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135981097 1288707049 /nfs/dbraw/zinc/70/70/49/1288707049.db2.gz XVABJSOSJWPABD-SJORKVTESA-N 1 3 333.520 2.964 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178689594 1288872238 /nfs/dbraw/zinc/87/22/38/1288872238.db2.gz RXBJVAOVKNPYOH-IHRRRGAJSA-N 1 3 348.318 2.757 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC=C(Cl)Cl)[C@@H]1C ZINC001178689594 1288872246 /nfs/dbraw/zinc/87/22/46/1288872246.db2.gz RXBJVAOVKNPYOH-IHRRRGAJSA-N 1 3 348.318 2.757 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccsc1)C1CC1 ZINC001178698917 1288876172 /nfs/dbraw/zinc/87/61/72/1288876172.db2.gz ZMFREABEABZYEY-KRWDZBQOSA-N 1 3 337.533 2.855 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001178698541 1288876526 /nfs/dbraw/zinc/87/65/26/1288876526.db2.gz KUNYBGARCUOULI-IBGZPJMESA-N 1 3 349.494 2.932 20 0 EFADHO CC(C)COCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759326 1288895053 /nfs/dbraw/zinc/89/50/53/1288895053.db2.gz GLJFOQPOWMPJGN-SFHVURJKSA-N 1 3 343.556 2.511 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H]1C ZINC001178813440 1288923084 /nfs/dbraw/zinc/92/30/84/1288923084.db2.gz HFZFELXTFWEOGM-BPUTZDHNSA-N 1 3 341.496 2.507 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cn2)CC1 ZINC001232360220 1312685970 /nfs/dbraw/zinc/68/59/70/1312685970.db2.gz CPUBPSOHVBFNTP-LJQANCHMSA-N 1 3 337.471 2.566 20 0 EFADHO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccnc3)cn2)CC1 ZINC001232360220 1312685974 /nfs/dbraw/zinc/68/59/74/1312685974.db2.gz CPUBPSOHVBFNTP-LJQANCHMSA-N 1 3 337.471 2.566 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCCN2C(C)C)ccc1OCC[NH+](C)C ZINC000822463949 1288999428 /nfs/dbraw/zinc/99/94/28/1288999428.db2.gz QHLKFYINJYYUJW-QGZVFWFLSA-N 1 3 333.476 2.747 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C/C=C/c2ccccc2)[C@@H]1C)N(C)C ZINC001179550510 1289186528 /nfs/dbraw/zinc/18/65/28/1289186528.db2.gz YHWKGZMXDPVLDC-MGENFTRFSA-N 1 3 329.488 2.619 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]CCC(F)(F)F)C1 ZINC001179586848 1289189907 /nfs/dbraw/zinc/18/99/07/1289189907.db2.gz UJLMRPDVIIEERL-CQSZACIVSA-N 1 3 337.430 2.547 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2ccsc2)C1 ZINC001179587367 1289190197 /nfs/dbraw/zinc/19/01/97/1289190197.db2.gz ZUTFJDRTGAOSCU-INIZCTEOSA-N 1 3 337.533 2.856 20 0 EFADHO CC[C@H](C[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C)OC ZINC001179593111 1289192979 /nfs/dbraw/zinc/19/29/79/1289192979.db2.gz WADQTXZGTGFRLY-QGZVFWFLSA-N 1 3 343.556 2.656 20 0 EFADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592974 1289193388 /nfs/dbraw/zinc/19/33/88/1289193388.db2.gz SKIADBTZPDMUMI-INIZCTEOSA-N 1 3 331.520 2.979 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001179609284 1289198104 /nfs/dbraw/zinc/19/81/04/1289198104.db2.gz MLMIOCZBGAFPLM-ZDUSSCGKSA-N 1 3 325.419 2.545 20 0 EFADHO CC(C)OCCC[NH2+]CCCCCCNC(=O)CN1CCC[C@H]1C ZINC001179580590 1289201697 /nfs/dbraw/zinc/20/16/97/1289201697.db2.gz JETDQLXUMCNILQ-GOSISDBHSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179744520 1289255551 /nfs/dbraw/zinc/25/55/51/1289255551.db2.gz UIPBCVGVBILGFB-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)[C@@H]1C ZINC001179744441 1289255886 /nfs/dbraw/zinc/25/58/86/1289255886.db2.gz QJFRBWFSDDVHPA-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2F)[C@@H]1C ZINC001179744537 1289256743 /nfs/dbraw/zinc/25/67/43/1289256743.db2.gz UYMJSCMSSDPKQR-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]1C ZINC001179762924 1289262364 /nfs/dbraw/zinc/26/23/64/1289262364.db2.gz BMEUFZLFAVXVCB-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)[C@@H]1C ZINC001179763344 1289262725 /nfs/dbraw/zinc/26/27/25/1289262725.db2.gz IFESEMXRFGQHPX-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001179766682 1289264316 /nfs/dbraw/zinc/26/43/16/1289264316.db2.gz YINCQOZDSNITJA-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)CC(=O)NCCCCCC[NH2+]Cc1nc(C)cs1 ZINC001179846327 1289283800 /nfs/dbraw/zinc/28/38/00/1289283800.db2.gz BTLZNZFYDKWGSJ-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO [NH3+]Cc1nccnc1Nc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001160245798 1289300832 /nfs/dbraw/zinc/30/08/32/1289300832.db2.gz GVYANKDHHGTRJY-UHFFFAOYSA-N 1 3 346.438 2.632 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]1C ZINC001179982859 1289349802 /nfs/dbraw/zinc/34/98/02/1289349802.db2.gz FKPLDTFICQABRA-JYJNAYRXSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)sc2C)[C@@H]1C ZINC001179982913 1289350231 /nfs/dbraw/zinc/35/02/31/1289350231.db2.gz HHOMYZFOKUSGAA-YOEHRIQHSA-N 1 3 337.533 2.786 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H]1C ZINC001179983166 1289351217 /nfs/dbraw/zinc/35/12/17/1289351217.db2.gz NDBFLGDGFZLRBZ-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)[C@@H]1C ZINC001179987381 1289353626 /nfs/dbraw/zinc/35/36/26/1289353626.db2.gz UBQGBMSTBCOLAJ-XHSDSOJGSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C ZINC001179987414 1289354445 /nfs/dbraw/zinc/35/44/45/1289354445.db2.gz VNJWRVHISZDQGA-RDJZCZTQSA-N 1 3 337.533 2.602 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCCCCCNCc1nc(C)cs1 ZINC001179991852 1289357246 /nfs/dbraw/zinc/35/72/46/1289357246.db2.gz BNIGZRMHCZNBAE-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCCCCCNCc1nc(C)cs1 ZINC001179991852 1289357258 /nfs/dbraw/zinc/35/72/58/1289357258.db2.gz BNIGZRMHCZNBAE-UHFFFAOYSA-N 1 3 340.537 2.560 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccc(F)cc1 ZINC001180121750 1289424416 /nfs/dbraw/zinc/42/44/16/1289424416.db2.gz UVVVOWITFBFQLV-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CCOCCC(C)C ZINC001180123909 1289426236 /nfs/dbraw/zinc/42/62/36/1289426236.db2.gz NKUPIPBTPXOJEO-UHFFFAOYSA-N 1 3 343.556 2.657 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204645 1289442421 /nfs/dbraw/zinc/44/24/21/1289442421.db2.gz WUWUKMJIXRICAY-KBPBESRZSA-N 1 3 348.318 2.760 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001232461650 1312709137 /nfs/dbraw/zinc/70/91/37/1312709137.db2.gz BXXXNKUWYOOUGR-PWIZWCRZSA-N 1 3 339.487 2.846 20 0 EFADHO Cc1ncc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH]1 ZINC001232461650 1312709139 /nfs/dbraw/zinc/70/91/39/1312709139.db2.gz BXXXNKUWYOOUGR-PWIZWCRZSA-N 1 3 339.487 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001180226782 1289450663 /nfs/dbraw/zinc/45/06/63/1289450663.db2.gz LVUJUOHYMACJTA-VKJFTORMSA-N 1 3 335.467 2.806 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)[C@@H]1C ZINC001180226572 1289451480 /nfs/dbraw/zinc/45/14/80/1289451480.db2.gz BCNFDRPCIHHWNK-JYJNAYRXSA-N 1 3 345.478 2.731 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]1C ZINC001180226679 1289451641 /nfs/dbraw/zinc/45/16/41/1289451641.db2.gz GJNIRZYGCUFUQR-HOCLYGCPSA-N 1 3 345.478 2.731 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)c(C)s1 ZINC001180230770 1289452991 /nfs/dbraw/zinc/45/29/91/1289452991.db2.gz MZDOBFYUVTUVII-YOEHRIQHSA-N 1 3 337.533 2.784 20 0 EFADHO CCN(CC)CC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001180390247 1289507008 /nfs/dbraw/zinc/50/70/08/1289507008.db2.gz WXWKEKVNDNCYIZ-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCN(CC)CC(=O)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001180391427 1289507432 /nfs/dbraw/zinc/50/74/32/1289507432.db2.gz SARIPSONQRDRBP-IYARVYRRSA-N 1 3 347.503 2.636 20 0 EFADHO CC(C)[C@H](C(=O)NCCCNCc1c(F)cccc1Cl)[NH+](C)C ZINC001166004436 1312717429 /nfs/dbraw/zinc/71/74/29/1312717429.db2.gz OGJAAQTXYKDONP-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc(F)c1Cl)N(C)C ZINC001166010032 1312717647 /nfs/dbraw/zinc/71/76/47/1312717647.db2.gz FKAVSTZKQQZVJD-MRXNPFEDSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F)N(C)C ZINC001166010676 1312717676 /nfs/dbraw/zinc/71/76/76/1312717676.db2.gz RRCSPGOKPUODAM-SUMWQHHRSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001166010216 1312717941 /nfs/dbraw/zinc/71/79/41/1312717941.db2.gz LNINKORGPQINIX-RTBURBONSA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001166010148 1312717992 /nfs/dbraw/zinc/71/79/92/1312717992.db2.gz ISGVFUJZRYLAEV-MRXNPFEDSA-N 1 3 341.446 2.806 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001166010028 1312718009 /nfs/dbraw/zinc/71/80/09/1312718009.db2.gz FGODRZSJKSRWEJ-LJQANCHMSA-N 1 3 331.504 2.746 20 0 EFADHO CN(CC(=O)N1CC2(CC[NH2+]CC2)c2ccccc21)C1CCCC1 ZINC001180627966 1289586673 /nfs/dbraw/zinc/58/66/73/1289586673.db2.gz NNQOXZLTQPNWDA-UHFFFAOYSA-N 1 3 327.472 2.529 20 0 EFADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)C(=O)NCC1CCCC1 ZINC000873207644 1289643919 /nfs/dbraw/zinc/64/39/19/1289643919.db2.gz YHNCPPLRKQCJIK-UHFFFAOYSA-N 1 3 335.517 2.568 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211011 1289646281 /nfs/dbraw/zinc/64/62/81/1289646281.db2.gz GYBZWBFPDNKEBJ-ARFHVFGLSA-N 1 3 327.513 2.700 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211011 1289646289 /nfs/dbraw/zinc/64/62/89/1289646289.db2.gz GYBZWBFPDNKEBJ-ARFHVFGLSA-N 1 3 327.513 2.700 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001016328850 1312723468 /nfs/dbraw/zinc/72/34/68/1312723468.db2.gz IRDLFHLEALEFRY-GOSISDBHSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001016328850 1312723471 /nfs/dbraw/zinc/72/34/71/1312723471.db2.gz IRDLFHLEALEFRY-GOSISDBHSA-N 1 3 343.515 2.989 20 0 EFADHO NC(=O)c1csc(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232844 1289668989 /nfs/dbraw/zinc/66/89/89/1289668989.db2.gz ZMKTWLPDNFYDPI-DYVFJYSZSA-N 1 3 335.517 2.967 20 0 EFADHO c1nn(-c2ccccc2)nc1CN[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232821 1289669423 /nfs/dbraw/zinc/66/94/23/1289669423.db2.gz NVAKTMOAUKXATK-GOSISDBHSA-N 1 3 325.460 2.669 20 0 EFADHO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000873246402 1289680289 /nfs/dbraw/zinc/68/02/89/1289680289.db2.gz VNKSEJSAPVUMTO-IHPCNDPISA-N 1 3 345.531 2.644 20 0 EFADHO Cc1c([C@@H](C)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)nnn1-c1ccc(F)cc1 ZINC000873259856 1289687781 /nfs/dbraw/zinc/68/77/81/1289687781.db2.gz NMPXZADYPYUKGY-QIJZBDPFSA-N 1 3 343.450 2.896 20 0 EFADHO COc1ccc([C@H](C)NC[C@H]2CC3(CO2)CC[NH2+]CC3)c(OC)c1 ZINC000873290547 1289705651 /nfs/dbraw/zinc/70/56/51/1289705651.db2.gz RISCUSOZBPSYJG-GOEBONIOSA-N 1 3 334.460 2.513 20 0 EFADHO C[C@@H](NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000873292475 1289707419 /nfs/dbraw/zinc/70/74/19/1289707419.db2.gz ROWLRFGKTVGUCX-VQIMIIECSA-N 1 3 340.471 2.682 20 0 EFADHO Fc1ccc2c(c1)[C@@H](NC[C@@H]1CC3(CO1)CC[NH2+]CC3)CCCO2 ZINC000873292929 1289707686 /nfs/dbraw/zinc/70/76/86/1289707686.db2.gz WNOHZNJXEZIVCS-RDJZCZTQSA-N 1 3 334.435 2.788 20 0 EFADHO CC[N@H+](CCCN(C)C)Cc1ccc(-n2cnc(C)c2)c(OC)c1 ZINC001232565628 1312734850 /nfs/dbraw/zinc/73/48/50/1312734850.db2.gz VZRCHPFFGJNSDV-UHFFFAOYSA-N 1 3 330.476 2.963 20 0 EFADHO CC[N@@H+](CCCN(C)C)Cc1ccc(-n2cnc(C)c2)c(OC)c1 ZINC001232565628 1312734854 /nfs/dbraw/zinc/73/48/54/1312734854.db2.gz VZRCHPFFGJNSDV-UHFFFAOYSA-N 1 3 330.476 2.963 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC1=CCCCC1 ZINC001181754597 1289930267 /nfs/dbraw/zinc/93/02/67/1289930267.db2.gz DKWGWECONIMLQD-OZOXKJRCSA-N 1 3 347.547 2.901 20 0 EFADHO CC/C=C/CC[NH2+]C[C@]1(C)CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001181736804 1289938830 /nfs/dbraw/zinc/93/88/30/1289938830.db2.gz XQYNVSBDHSPEGP-AJWBFMOXSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1)N(C)C ZINC001181801342 1289944232 /nfs/dbraw/zinc/94/42/32/1289944232.db2.gz WUULVVBSRYDVLH-ZIFCJYIRSA-N 1 3 343.531 2.787 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(C)c2)C1)N(C)C ZINC001181884190 1289988328 /nfs/dbraw/zinc/98/83/28/1289988328.db2.gz DBPSTTOWBXBMRW-YFVAEKQCSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2ccccc2)C1)N(C)C ZINC001181885223 1289989995 /nfs/dbraw/zinc/98/99/95/1289989995.db2.gz SOEGGKICZOSZCN-YFVAEKQCSA-N 1 3 345.531 2.644 20 0 EFADHO CCCCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941446 1290006941 /nfs/dbraw/zinc/00/69/41/1290006941.db2.gz IQQGJKBOBCPQNJ-VQIMIIECSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001181941760 1290007042 /nfs/dbraw/zinc/00/70/42/1290007042.db2.gz OOHNWCWIHBVIIM-OXQOHEQNSA-N 1 3 337.552 2.981 20 0 EFADHO C[NH+]1CCC(C)(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC001181989958 1290026139 /nfs/dbraw/zinc/02/61/39/1290026139.db2.gz FJDXMXSLOIYYKA-SFHVURJKSA-N 1 3 329.488 2.672 20 0 EFADHO CNc1ccccc1C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001232668094 1312756831 /nfs/dbraw/zinc/75/68/31/1312756831.db2.gz OHHJDIBEHCXUEA-TZIWHRDSSA-N 1 3 343.515 2.909 20 0 EFADHO CNc1ccccc1C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001232668094 1312756834 /nfs/dbraw/zinc/75/68/34/1312756834.db2.gz OHHJDIBEHCXUEA-TZIWHRDSSA-N 1 3 343.515 2.909 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)C2)C1)N(C)C ZINC001182516956 1290212478 /nfs/dbraw/zinc/21/24/78/1290212478.db2.gz MALVAVXWKCFSSD-NFKMYMFOSA-N 1 3 337.552 2.693 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]C/C=C/Cl ZINC001182623553 1290227298 /nfs/dbraw/zinc/22/72/98/1290227298.db2.gz PUMOKBIBHKNVJR-KIAIAAEYSA-N 1 3 341.927 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1)N(C)C ZINC001182637409 1290230556 /nfs/dbraw/zinc/23/05/56/1290230556.db2.gz CXZFJBPPJKFYSL-SOLBZPMBSA-N 1 3 329.504 2.541 20 0 EFADHO C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1)N1CCCCCC1 ZINC001182807642 1290256442 /nfs/dbraw/zinc/25/64/42/1290256442.db2.gz WOMRBLABNXYQLP-MBOZVWFJSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001182973227 1290287823 /nfs/dbraw/zinc/28/78/23/1290287823.db2.gz BYAGLXCCWLCWNZ-HAURFUKOSA-N 1 3 347.478 2.570 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001182973474 1290288699 /nfs/dbraw/zinc/28/86/99/1290288699.db2.gz LNHMVKBUNJAVMJ-MOPGFXCFSA-N 1 3 349.494 2.674 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001182982835 1290289752 /nfs/dbraw/zinc/28/97/52/1290289752.db2.gz UZYZJDKCINYBAC-MOPGFXCFSA-N 1 3 349.494 2.619 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4ncsc4c3)CC2)CC1 ZINC001232744027 1312771796 /nfs/dbraw/zinc/77/17/96/1312771796.db2.gz JSJSMNHQXKRWGO-UHFFFAOYSA-N 1 3 344.528 2.756 20 0 EFADHO CC[C@H](C(=O)NCCCNCc1c(F)cccc1F)[NH+](CC)CC ZINC001166424547 1312774979 /nfs/dbraw/zinc/77/49/79/1312774979.db2.gz JVELPOXHNOMLGS-QGZVFWFLSA-N 1 3 341.446 2.681 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)N(C)C ZINC001183449622 1290349935 /nfs/dbraw/zinc/34/99/35/1290349935.db2.gz AUBJLJUCNQIFPB-NZONOLPTSA-N 1 3 343.515 2.867 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001183516878 1290353485 /nfs/dbraw/zinc/35/34/85/1290353485.db2.gz CFGMURYRSODKPF-QWFCFKBJSA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001183516929 1290353980 /nfs/dbraw/zinc/35/39/80/1290353980.db2.gz GGQFNEDYHNYLEG-IMFGXOCKSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001183516992 1290354246 /nfs/dbraw/zinc/35/42/46/1290354246.db2.gz JHQPWLNOXQRDJV-OXQOHEQNSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001183516933 1290354286 /nfs/dbraw/zinc/35/42/86/1290354286.db2.gz GPECGCLCUWEPPG-YLJYHZDGSA-N 1 3 337.552 2.981 20 0 EFADHO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835696 1290382052 /nfs/dbraw/zinc/38/20/52/1290382052.db2.gz AUDMSIAJFURPSV-RBUKOAKNSA-N 1 3 336.439 2.556 20 0 EFADHO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000874835696 1290382061 /nfs/dbraw/zinc/38/20/61/1290382061.db2.gz AUDMSIAJFURPSV-RBUKOAKNSA-N 1 3 336.439 2.556 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000874845521 1290391462 /nfs/dbraw/zinc/39/14/62/1290391462.db2.gz VTGISGGHWGEYTF-SLFFLAALSA-N 1 3 341.499 2.594 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000874845521 1290391476 /nfs/dbraw/zinc/39/14/76/1290391476.db2.gz VTGISGGHWGEYTF-SLFFLAALSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C[NH2+]CCCCCF ZINC001184575790 1290475572 /nfs/dbraw/zinc/47/55/72/1290475572.db2.gz DYRDZJBXQZFVBU-DLBZAZTESA-N 1 3 341.515 2.685 20 0 EFADHO C[C@H](c1ccc(F)cc1F)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903511162 1312792761 /nfs/dbraw/zinc/79/27/61/1312792761.db2.gz VPURMTUQUGSAQE-XYPHTWIQSA-N 1 3 335.442 2.926 20 0 EFADHO CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167161 1290606578 /nfs/dbraw/zinc/60/65/78/1290606578.db2.gz COYSNAKMOLOOSZ-MSOLQXFVSA-N 1 3 335.536 2.759 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001185168487 1290607878 /nfs/dbraw/zinc/60/78/78/1290607878.db2.gz HGGUDUILZREOFN-IRXDYDNUSA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]CCC1CC1 ZINC001185171506 1290609234 /nfs/dbraw/zinc/60/92/34/1290609234.db2.gz WSLADYITORKDSE-SJLPKXTDSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cc2nc[nH]c2C)cs1 ZINC001037156396 1290609613 /nfs/dbraw/zinc/60/96/13/1290609613.db2.gz FRXFSACLRUZFSL-HZPDHXFCSA-N 1 3 346.500 2.705 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCC1CCCC1 ZINC001185213388 1290622549 /nfs/dbraw/zinc/62/25/49/1290622549.db2.gz CYIXURNVYCGYFZ-RDJZCZTQSA-N 1 3 332.492 2.607 20 0 EFADHO Cc1nc(C(C)C)ccc1CN[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248561 1290626369 /nfs/dbraw/zinc/62/63/69/1290626369.db2.gz GSIIVQZWWDATJP-GOSISDBHSA-N 1 3 346.519 2.546 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(Cc3c[nH]c4cc(Br)ncc34)C[C@@H]2C1 ZINC001232858597 1312797107 /nfs/dbraw/zinc/79/71/07/1312797107.db2.gz XRFRTJTYCUIDSH-YPMHNXCESA-N 1 3 349.276 2.709 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(Cc3c[nH]c4cc(Br)ncc34)C[C@@H]2C1 ZINC001232858597 1312797111 /nfs/dbraw/zinc/79/71/11/1312797111.db2.gz XRFRTJTYCUIDSH-YPMHNXCESA-N 1 3 349.276 2.709 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185349832 1290647949 /nfs/dbraw/zinc/64/79/49/1290647949.db2.gz YMMFVTKJHPXJRG-MJGOQNOKSA-N 1 3 335.536 2.903 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(CC)CC)C[C@H]1C ZINC001185361207 1290651160 /nfs/dbraw/zinc/65/11/60/1290651160.db2.gz WEJXWJXDNMAWBO-SJLPKXTDSA-N 1 3 325.541 2.839 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001037158602 1290689541 /nfs/dbraw/zinc/68/95/41/1290689541.db2.gz UDVAKFBMSJETQK-IRXDYDNUSA-N 1 3 344.503 2.715 20 0 EFADHO CC(C)[NH+]1CCC(CNc2cncc([C@@H]3CN4CCC3CC4)n2)CC1 ZINC001166615910 1312803350 /nfs/dbraw/zinc/80/33/50/1312803350.db2.gz OFWGCPXEDJNORS-GOSISDBHSA-N 1 3 343.519 2.818 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)[C@H](C)C1 ZINC001185546505 1290718190 /nfs/dbraw/zinc/71/81/90/1290718190.db2.gz CREPCRPWHKNZNW-MJGOQNOKSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001185547782 1290718233 /nfs/dbraw/zinc/71/82/33/1290718233.db2.gz JOYHQQXJCAJQDU-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001185706632 1290738767 /nfs/dbraw/zinc/73/87/67/1290738767.db2.gz QAVHGRPQBGHWHJ-SJLPKXTDSA-N 1 3 331.504 2.916 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626146 1312805940 /nfs/dbraw/zinc/80/59/40/1312805940.db2.gz BRTWQJZOBOENOB-OAHLLOKOSA-N 1 3 337.895 2.729 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCCc2ccccc2)C1)N(C)C ZINC001185715962 1290750771 /nfs/dbraw/zinc/75/07/71/1290750771.db2.gz MARZTQYFINFBCU-MOPGFXCFSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(C(F)F)c1 ZINC001166626317 1312806110 /nfs/dbraw/zinc/80/61/10/1312806110.db2.gz DFTTXXYQOHNYLB-AWEZNQCLSA-N 1 3 339.430 2.704 20 0 EFADHO CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001185742003 1290755122 /nfs/dbraw/zinc/75/51/22/1290755122.db2.gz QAKVGDYKROXPOM-APWZRJJASA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)[C@H](C)C1 ZINC001185752813 1290764150 /nfs/dbraw/zinc/76/41/50/1290764150.db2.gz UXIBOAXOSPDCMS-QUCCMNQESA-N 1 3 345.531 2.644 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c(C)c1 ZINC001166633161 1312808486 /nfs/dbraw/zinc/80/84/86/1312808486.db2.gz AUIPQMXKZBGRQT-GOSISDBHSA-N 1 3 331.504 2.692 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1F ZINC001166634865 1312808536 /nfs/dbraw/zinc/80/85/36/1312808536.db2.gz WSZVUWQNSJGIJZ-ZDUSSCGKSA-N 1 3 341.858 2.559 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166626886 1312806831 /nfs/dbraw/zinc/80/68/31/1312806831.db2.gz LNZVFYBXBBYOPI-KRWDZBQOSA-N 1 3 331.504 2.719 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001186083190 1290829276 /nfs/dbraw/zinc/82/92/76/1290829276.db2.gz VBFCWEBYHFGXOD-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO Cc1cc(C)c(C[NH2+]CCCNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001166667552 1312814769 /nfs/dbraw/zinc/81/47/69/1312814769.db2.gz DFGHFDOQNDBGNR-HNNXBMFYSA-N 1 3 331.504 2.550 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc3ccccc32)C1 ZINC001166667870 1312815175 /nfs/dbraw/zinc/81/51/75/1312815175.db2.gz KAWIXNXUOQAVBE-KRWDZBQOSA-N 1 3 339.483 2.778 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC001273515965 1290889687 /nfs/dbraw/zinc/88/96/87/1290889687.db2.gz QLQJJBPPORZTGI-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CC=CCC3)CC2)C1=O ZINC001273515965 1290889701 /nfs/dbraw/zinc/88/97/01/1290889701.db2.gz QLQJJBPPORZTGI-QUCCMNQESA-N 1 3 333.520 2.609 20 0 EFADHO CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001186204169 1290894328 /nfs/dbraw/zinc/89/43/28/1290894328.db2.gz ZVQHFEYHJGUXFZ-IEBWSBKVSA-N 1 3 349.494 2.708 20 0 EFADHO CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001186204169 1290894340 /nfs/dbraw/zinc/89/43/40/1290894340.db2.gz ZVQHFEYHJGUXFZ-IEBWSBKVSA-N 1 3 349.494 2.708 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001166676870 1312817097 /nfs/dbraw/zinc/81/70/97/1312817097.db2.gz DJWVGNGTMXTBPO-KXBFYZLASA-N 1 3 347.478 2.641 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001166676911 1312817279 /nfs/dbraw/zinc/81/72/79/1312817279.db2.gz DWPHVKWPSZCUPX-IEBWSBKVSA-N 1 3 343.515 2.544 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001166677967 1312817481 /nfs/dbraw/zinc/81/74/81/1312817481.db2.gz RJELJIIVQZEOCI-AWEZNQCLSA-N 1 3 339.430 2.562 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2cc3ccccc3s2)C1 ZINC001166676657 1312817658 /nfs/dbraw/zinc/81/76/58/1312817658.db2.gz AMUTVIBZWDCMFX-HNNXBMFYSA-N 1 3 345.512 2.839 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687472 1312820175 /nfs/dbraw/zinc/82/01/75/1312820175.db2.gz SLVWQYYYUPPYJW-QFBILLFUSA-N 1 3 343.531 2.977 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)cc1 ZINC001166687270 1312820407 /nfs/dbraw/zinc/82/04/07/1312820407.db2.gz LJIFCFAYAWYFDL-FQEVSTJZSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001166687470 1312820814 /nfs/dbraw/zinc/82/08/14/1312820814.db2.gz SLVWQYYYUPPYJW-APWZRJJASA-N 1 3 343.531 2.977 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876718729 1290988826 /nfs/dbraw/zinc/98/88/26/1290988826.db2.gz SOBUBRRHUKJAMA-CTNGQTDRSA-N 1 3 341.499 2.562 20 0 EFADHO Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000248394467 1290989060 /nfs/dbraw/zinc/98/90/60/1290989060.db2.gz HYSJMQHXAZNGKG-HMXCVIKNSA-N 1 3 338.499 2.853 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000957032008 1291008225 /nfs/dbraw/zinc/00/82/25/1291008225.db2.gz OQJAHFWXCBJGMB-RLLQIKCJSA-N 1 3 347.547 2.687 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CC[C@H](CN(C)CC)C2)CC1 ZINC000876782990 1291022887 /nfs/dbraw/zinc/02/28/87/1291022887.db2.gz SVJABMFLUGAWJC-MRXNPFEDSA-N 1 3 325.497 2.519 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CC[C@H](CN(C)CC)C2)CC1 ZINC000876782990 1291022893 /nfs/dbraw/zinc/02/28/93/1291022893.db2.gz SVJABMFLUGAWJC-MRXNPFEDSA-N 1 3 325.497 2.519 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186975290 1291065830 /nfs/dbraw/zinc/06/58/30/1291065830.db2.gz KSOVUNSEMZSUSR-GRLYAWNKSA-N 1 3 327.900 2.584 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](NC/C=C/Cl)C1 ZINC001186975290 1291065833 /nfs/dbraw/zinc/06/58/33/1291065833.db2.gz KSOVUNSEMZSUSR-GRLYAWNKSA-N 1 3 327.900 2.584 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@H+](CCc3cccs3)CC2)C1=O ZINC001273532448 1291078598 /nfs/dbraw/zinc/07/85/98/1291078598.db2.gz IKAXVEYZRIASPY-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](CCc3cccs3)CC2)C1=O ZINC001273532448 1291078606 /nfs/dbraw/zinc/07/86/06/1291078606.db2.gz IKAXVEYZRIASPY-LJQANCHMSA-N 1 3 349.544 2.557 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001166736407 1312831249 /nfs/dbraw/zinc/83/12/49/1312831249.db2.gz JZOYCMRCSQZQRT-SFHVURJKSA-N 1 3 347.478 2.641 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(F)cc1F)CC(C)(C)C ZINC001166743960 1312832562 /nfs/dbraw/zinc/83/25/62/1312832562.db2.gz AMZPEICKISAADQ-UHFFFAOYSA-N 1 3 341.446 2.539 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CCCCC(F)(F)F)CC(C)(C)C ZINC001166744274 1312833123 /nfs/dbraw/zinc/83/31/23/1312833123.db2.gz OLGVVOUGQHWPLP-UHFFFAOYSA-N 1 3 339.446 2.793 20 0 EFADHO CN(CC(=O)NCCC[NH2+]C/C=C\c1ccccc1)CC(C)(C)C ZINC001166744179 1312833582 /nfs/dbraw/zinc/83/35/82/1312833582.db2.gz LFOUWKWGOLWOAY-WQLSENKSSA-N 1 3 331.504 2.774 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)nc2C)C1 ZINC001187291117 1291139410 /nfs/dbraw/zinc/13/94/10/1291139410.db2.gz IXJOBJAMXLYWSQ-GOSISDBHSA-N 1 3 346.519 2.546 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001187322633 1291144630 /nfs/dbraw/zinc/14/46/30/1291144630.db2.gz PLVZFNFOUQVLJQ-BQHJZSHBSA-N 1 3 329.488 2.622 20 0 EFADHO CN1CCN(C(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCC1(C)C ZINC000877206532 1291166665 /nfs/dbraw/zinc/16/66/65/1291166665.db2.gz JFWQNAJGKMUYLQ-KRWDZBQOSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c1 ZINC001166764680 1312838195 /nfs/dbraw/zinc/83/81/95/1312838195.db2.gz LCSZSSKVKMRNJN-UHFFFAOYSA-N 1 3 345.531 2.755 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCCc2cccc(F)c2)C1 ZINC001166765306 1312838384 /nfs/dbraw/zinc/83/83/84/1312838384.db2.gz XAJPXIYTYYZBEQ-UHFFFAOYSA-N 1 3 349.494 2.586 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877443132 1291236324 /nfs/dbraw/zinc/23/63/24/1291236324.db2.gz AXLXKYFBGUGBTA-IEBWSBKVSA-N 1 3 335.536 2.865 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC1 ZINC000877443135 1291236352 /nfs/dbraw/zinc/23/63/52/1291236352.db2.gz AXLXKYFBGUGBTA-MJGOQNOKSA-N 1 3 335.536 2.865 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000877533013 1291264089 /nfs/dbraw/zinc/26/40/89/1291264089.db2.gz YPSHSHJUKNEHNU-DLBZAZTESA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@H]3CN(C)CC[C@H]32)CC1 ZINC000877533013 1291264099 /nfs/dbraw/zinc/26/40/99/1291264099.db2.gz YPSHSHJUKNEHNU-DLBZAZTESA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532554 1291264190 /nfs/dbraw/zinc/26/41/90/1291264190.db2.gz VPDWDJFQFJOHPU-PMACEKPBSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532554 1291264199 /nfs/dbraw/zinc/26/41/99/1291264199.db2.gz VPDWDJFQFJOHPU-PMACEKPBSA-N 1 3 341.499 2.839 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@@H+]2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000877533018 1291264579 /nfs/dbraw/zinc/26/45/79/1291264579.db2.gz YPSHSHJUKNEHNU-IRXDYDNUSA-N 1 3 337.508 2.661 20 0 EFADHO CCOC(=O)N1CCC(C)(C[N@H+]2CCC[C@H]3CN(C)CC[C@@H]32)CC1 ZINC000877533018 1291264583 /nfs/dbraw/zinc/26/45/83/1291264583.db2.gz YPSHSHJUKNEHNU-IRXDYDNUSA-N 1 3 337.508 2.661 20 0 EFADHO CN1CCCC[C@H](C[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC000877653552 1291311103 /nfs/dbraw/zinc/31/11/03/1291311103.db2.gz MXPIUIGTZNUJAB-OAHLLOKOSA-N 1 3 327.513 2.859 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001188139847 1291317283 /nfs/dbraw/zinc/31/72/83/1291317283.db2.gz SJDSTYPALKWJQR-UKRRQHHQSA-N 1 3 339.430 2.557 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188144993 1291318105 /nfs/dbraw/zinc/31/81/05/1291318105.db2.gz BLVQUYXLEITDCC-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)Oc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188146186 1291319489 /nfs/dbraw/zinc/31/94/89/1291319489.db2.gz XWLGBMONIMVFQL-GOSISDBHSA-N 1 3 347.503 2.505 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001188158321 1291333311 /nfs/dbraw/zinc/33/33/11/1291333311.db2.gz KWRLQUJZVKMSQD-OXQOHEQNSA-N 1 3 343.515 2.767 20 0 EFADHO CCCOc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188158732 1291333507 /nfs/dbraw/zinc/33/35/07/1291333507.db2.gz WQBVAUXDIKONAL-GOSISDBHSA-N 1 3 347.503 2.506 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(CC3CCC(C)(C)CC3)CC2)C1 ZINC000957328297 1291391234 /nfs/dbraw/zinc/39/12/34/1291391234.db2.gz MYINNQHMQUNAQA-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(CC3CCC(C)(C)CC3)CC2)C1 ZINC000957328297 1291391244 /nfs/dbraw/zinc/39/12/44/1291391244.db2.gz MYINNQHMQUNAQA-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl)N(C)C ZINC001166858351 1312855426 /nfs/dbraw/zinc/85/54/26/1312855426.db2.gz QXLQBZBEFMVPHA-INIZCTEOSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CCCc1ccccc1Cl)N(C)C ZINC001166858126 1312855534 /nfs/dbraw/zinc/85/55/34/1312855534.db2.gz NIWLUYFLNIKLQL-KRWDZBQOSA-N 1 3 339.911 2.709 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C ZINC001166866774 1312856521 /nfs/dbraw/zinc/85/65/21/1312856521.db2.gz UGJTUIPQWFBDAN-HKUYNNGSSA-N 1 3 331.504 2.543 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109980 1291571018 /nfs/dbraw/zinc/57/10/18/1291571018.db2.gz HPIKJYNHZSGJEH-PQWPHBKQSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109980 1291571024 /nfs/dbraw/zinc/57/10/24/1291571024.db2.gz HPIKJYNHZSGJEH-PQWPHBKQSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109978 1291571638 /nfs/dbraw/zinc/57/16/38/1291571638.db2.gz HPIKJYNHZSGJEH-FGIUYIEZSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109978 1291571645 /nfs/dbraw/zinc/57/16/45/1291571645.db2.gz HPIKJYNHZSGJEH-FGIUYIEZSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109981 1291572013 /nfs/dbraw/zinc/57/20/13/1291572013.db2.gz HPIKJYNHZSGJEH-SCYPMVGQSA-N 1 3 335.536 2.996 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)N(CC)CC)[C@@H]2C1 ZINC001189109981 1291572019 /nfs/dbraw/zinc/57/20/19/1291572019.db2.gz HPIKJYNHZSGJEH-SCYPMVGQSA-N 1 3 335.536 2.996 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)[C@H]4CCCN4C)CC3)CC2)C1 ZINC000957516713 1291697866 /nfs/dbraw/zinc/69/78/66/1291697866.db2.gz AGWZZXCXYRLHQB-CTWPCTMYSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878605964 1291731516 /nfs/dbraw/zinc/73/15/16/1291731516.db2.gz LHKRPNAUEVLJSM-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC2)CC[NH+](CC2CCC2)CC3)CCC1 ZINC000957559128 1291764581 /nfs/dbraw/zinc/76/45/81/1291764581.db2.gz CFJRUWXDSPJCBJ-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016615079 1312882730 /nfs/dbraw/zinc/88/27/30/1312882730.db2.gz SHZABKFFLMGXJV-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001016614322 1312882135 /nfs/dbraw/zinc/88/21/35/1312882135.db2.gz MIQGIURJNINKRI-QZTJIDSGSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614330 1312882340 /nfs/dbraw/zinc/88/23/40/1312882340.db2.gz MIQGIURJNINKRI-ROUUACIJSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001016614331 1312882477 /nfs/dbraw/zinc/88/24/77/1312882477.db2.gz MIQGIURJNINKRI-ZWKOTPCHSA-N 1 3 333.520 2.796 20 0 EFADHO CCCC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)CC2)CC1 ZINC000957602837 1291854268 /nfs/dbraw/zinc/85/42/68/1291854268.db2.gz HSGPDMOLMSQRIF-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(CC2)CC[NH+](CC2CCC2)CC3)C1 ZINC000957605473 1291859776 /nfs/dbraw/zinc/85/97/76/1291859776.db2.gz DSJZGFVXWLEOAC-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(CC1)CC[NH+](CC[C@@H](C)F)CC2)N(C)C ZINC000957606053 1291861788 /nfs/dbraw/zinc/86/17/88/1291861788.db2.gz XHYMVEYMPYPUGK-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCCCCF)CC1)N(C)C ZINC001167035189 1312886161 /nfs/dbraw/zinc/88/61/61/1312886161.db2.gz ATBYDGVCDBHWCT-MRXNPFEDSA-N 1 3 329.504 2.589 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1(C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001167036007 1312887087 /nfs/dbraw/zinc/88/70/87/1312887087.db2.gz TUIQXIVIUKDQLI-MRXNPFEDSA-N 1 3 325.541 2.885 20 0 EFADHO COC(=O)c1ccc2[nH]cc(C3CCN(C[C@H]4CC[NH2+]C4)CC3)c2c1 ZINC000903575008 1312890946 /nfs/dbraw/zinc/89/09/46/1312890946.db2.gz BYFKWIHOOOYNLN-AWEZNQCLSA-N 1 3 341.455 2.743 20 0 EFADHO C[NH+]1CCC(NC(=O)CN2CC[C@@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000879051953 1291944125 /nfs/dbraw/zinc/94/41/25/1291944125.db2.gz GVWHLYIQZQGGTP-SFHVURJKSA-N 1 3 347.478 2.604 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248427 1292040903 /nfs/dbraw/zinc/04/09/03/1292040903.db2.gz OCLSCWDIWURFKX-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H](C(=O)NC1CCC(C)CC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248781 1292040986 /nfs/dbraw/zinc/04/09/86/1292040986.db2.gz UECYIAZQAWVXOO-LXPRWKDFSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C(C)C)CC2 ZINC001016651067 1312903345 /nfs/dbraw/zinc/90/33/45/1312903345.db2.gz DDMSDAIMYDDUMQ-ROUUACIJSA-N 1 3 333.520 2.798 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016651750 1312903942 /nfs/dbraw/zinc/90/39/42/1312903942.db2.gz KFRMOJSKEJBNLB-MSOLQXFVSA-N 1 3 333.520 2.632 20 0 EFADHO COc1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)cc1CN1CCCCC1 ZINC000775374895 1292136787 /nfs/dbraw/zinc/13/67/87/1292136787.db2.gz GAUHWPJLICKBLV-QFBILLFUSA-N 1 3 348.487 2.747 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)cc1CN1CCCCC1 ZINC000775374897 1292137017 /nfs/dbraw/zinc/13/70/17/1292137017.db2.gz GAUHWPJLICKBLV-VQIMIIECSA-N 1 3 348.487 2.747 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049477759 1312905664 /nfs/dbraw/zinc/90/56/64/1312905664.db2.gz IZWJUTRHMFHBMX-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049477759 1312905668 /nfs/dbraw/zinc/90/56/68/1312905668.db2.gz IZWJUTRHMFHBMX-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO COc1ccc([C@@H](C)N[C@H]2CC(=O)N(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380821 1292160408 /nfs/dbraw/zinc/16/04/08/1292160408.db2.gz LOMYFEGFURYYPY-QAPCUYQASA-N 1 3 345.487 2.562 20 0 EFADHO COc1ccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)cc1C[NH+]1CCCCC1 ZINC000775380819 1292160673 /nfs/dbraw/zinc/16/06/73/1292160673.db2.gz LOMYFEGFURYYPY-CRAIPNDOSA-N 1 3 345.487 2.562 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2F)C12CCC2 ZINC001203326055 1312908108 /nfs/dbraw/zinc/90/81/08/1312908108.db2.gz RZLSRAJZZYMZSB-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CCCN(C)C2=O)ccc1OC ZINC000775394173 1292196503 /nfs/dbraw/zinc/19/65/03/1292196503.db2.gz IJXNYZBJGFDNHI-MAUKXSAKSA-N 1 3 347.503 2.808 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CCCN(C)C2=O)ccc1OC ZINC000775394178 1292197232 /nfs/dbraw/zinc/19/72/32/1292197232.db2.gz IJXNYZBJGFDNHI-QAPCUYQASA-N 1 3 347.503 2.808 20 0 EFADHO CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000957760395 1292203587 /nfs/dbraw/zinc/20/35/87/1292203587.db2.gz ZZWFDMWSUZFPNQ-UHFFFAOYSA-N 1 3 340.471 2.713 20 0 EFADHO CC[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000957760395 1292203593 /nfs/dbraw/zinc/20/35/93/1292203593.db2.gz ZZWFDMWSUZFPNQ-UHFFFAOYSA-N 1 3 340.471 2.713 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCN(CC2CCCCCC2)CC1 ZINC000957774613 1292226901 /nfs/dbraw/zinc/22/69/01/1292226901.db2.gz VXDTUGAAOWXSLT-UHFFFAOYSA-N 1 3 335.536 2.977 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CCCC3CCCC3)C2)CCC1 ZINC001190644481 1292261733 /nfs/dbraw/zinc/26/17/33/1292261733.db2.gz IQXFSPOBTVDSAX-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCCC3)C2)CCC1 ZINC001190644481 1292261738 /nfs/dbraw/zinc/26/17/38/1292261738.db2.gz IQXFSPOBTVDSAX-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1)C1CCC1 ZINC001190674459 1292281437 /nfs/dbraw/zinc/28/14/37/1292281437.db2.gz AQFQRTMTTPPGGN-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1)C1CCC1 ZINC001190674459 1292281447 /nfs/dbraw/zinc/28/14/47/1292281447.db2.gz AQFQRTMTTPPGGN-HXUWFJFHSA-N 1 3 343.515 2.636 20 0 EFADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]C/C=C/Cl)C12CCC2)CC(C)(C)C ZINC001203425264 1312920936 /nfs/dbraw/zinc/92/09/36/1312920936.db2.gz BCZGZEVJVYOFPJ-VOTDVEDPSA-N 1 3 341.927 2.734 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(C)c2)C1)N(C)C ZINC001190898018 1292370793 /nfs/dbraw/zinc/37/07/93/1292370793.db2.gz AZJZIBQYGHUKHZ-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(C)c2)C1)N(C)C ZINC001190898018 1292370801 /nfs/dbraw/zinc/37/08/01/1292370801.db2.gz AZJZIBQYGHUKHZ-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191020531 1292428362 /nfs/dbraw/zinc/42/83/62/1292428362.db2.gz XOUKRIWRSTWRQK-QHSLDKKCSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)C/C=C/c2ccccc2)C1 ZINC001191020531 1292428370 /nfs/dbraw/zinc/42/83/70/1292428370.db2.gz XOUKRIWRSTWRQK-QHSLDKKCSA-N 1 3 343.515 2.963 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191028521 1292432227 /nfs/dbraw/zinc/43/22/27/1292432227.db2.gz BXUSXGVMRPLUHF-QGZVFWFLSA-N 1 3 335.467 2.589 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccc(F)c2)C1 ZINC001191028521 1292432235 /nfs/dbraw/zinc/43/22/35/1292432235.db2.gz BXUSXGVMRPLUHF-QGZVFWFLSA-N 1 3 335.467 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001191028527 1292432723 /nfs/dbraw/zinc/43/27/23/1292432723.db2.gz BZRDQIYTXDNKHY-HUUCEWRRSA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCC(F)(F)C2)C1 ZINC001191028527 1292432729 /nfs/dbraw/zinc/43/27/29/1292432729.db2.gz BZRDQIYTXDNKHY-HUUCEWRRSA-N 1 3 345.478 2.685 20 0 EFADHO COc1ccc(CN2CCC3(C2)CC[NH+](C)CC3)c(OC)c1OC ZINC001203466348 1312930397 /nfs/dbraw/zinc/93/03/97/1312930397.db2.gz QAEHGFFNFXYNDP-UHFFFAOYSA-N 1 3 334.460 2.630 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049502079 1312933985 /nfs/dbraw/zinc/93/39/85/1312933985.db2.gz BAZBJVRLBTUJCX-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)C ZINC001049502079 1312933988 /nfs/dbraw/zinc/93/39/88/1312933988.db2.gz BAZBJVRLBTUJCX-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001049505928 1312938263 /nfs/dbraw/zinc/93/82/63/1312938263.db2.gz SQFZKIBDUZGBHU-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049505928 1312938267 /nfs/dbraw/zinc/93/82/67/1312938267.db2.gz SQFZKIBDUZGBHU-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049505927 1312938462 /nfs/dbraw/zinc/93/84/62/1312938462.db2.gz SQFZKIBDUZGBHU-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049505927 1312938466 /nfs/dbraw/zinc/93/84/66/1312938466.db2.gz SQFZKIBDUZGBHU-GBESFXJTSA-N 1 3 333.520 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2 ZINC001203508541 1312942177 /nfs/dbraw/zinc/94/21/77/1312942177.db2.gz YXSJDRDLPZBGSN-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192005540 1292746192 /nfs/dbraw/zinc/74/61/92/1292746192.db2.gz AYVWIJRMPKYGEC-QGZVFWFLSA-N 1 3 349.906 2.715 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192008357 1292747752 /nfs/dbraw/zinc/74/77/52/1292747752.db2.gz WHFXUPDFLQWJNU-SSVWKNEZSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cc1F ZINC001192016727 1292748996 /nfs/dbraw/zinc/74/89/96/1292748996.db2.gz JSFAXENJVDOLRB-KRWDZBQOSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ncsc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276323294 1292753898 /nfs/dbraw/zinc/75/38/98/1292753898.db2.gz VWTIANBHADGWRB-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ncsc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276323294 1292753904 /nfs/dbraw/zinc/75/39/04/1292753904.db2.gz VWTIANBHADGWRB-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039272 1292756680 /nfs/dbraw/zinc/75/66/80/1292756680.db2.gz WIVQBKQQZKNVRI-SFHVURJKSA-N 1 3 335.467 2.509 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133482 1292788803 /nfs/dbraw/zinc/78/88/03/1292788803.db2.gz BKKFWKYFLULISB-ZGBFETHSSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C\c1ccc(Cl)cc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169568 1292806155 /nfs/dbraw/zinc/80/61/55/1292806155.db2.gz AGOQMVOGSMWKKI-XDXAGZTOSA-N 1 3 349.906 2.838 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1)CC(C)(C)C ZINC001192407944 1292895845 /nfs/dbraw/zinc/89/58/45/1292895845.db2.gz ZHELMJWLYHTEJI-INIZCTEOSA-N 1 3 329.504 2.637 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1)CC(C)(C)C ZINC001192407944 1292895859 /nfs/dbraw/zinc/89/58/59/1292895859.db2.gz ZHELMJWLYHTEJI-INIZCTEOSA-N 1 3 329.504 2.637 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001192406846 1292895405 /nfs/dbraw/zinc/89/54/05/1292895405.db2.gz NSRRQPMNGJTBPN-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001192406846 1292895417 /nfs/dbraw/zinc/89/54/17/1292895417.db2.gz NSRRQPMNGJTBPN-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001192406850 1292896949 /nfs/dbraw/zinc/89/69/49/1292896949.db2.gz NSRRQPMNGJTBPN-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001192406850 1292896964 /nfs/dbraw/zinc/89/69/64/1292896964.db2.gz NSRRQPMNGJTBPN-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016762339 1312964742 /nfs/dbraw/zinc/96/47/42/1312964742.db2.gz ZFWJIHFEXVEHBB-SJORKVTESA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(C)C)cc3)C[C@H]21)N(C)C ZINC001114849268 1293006354 /nfs/dbraw/zinc/00/63/54/1293006354.db2.gz MUYWRQITYUGTEY-ZGXWSNOMSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(C)C)cc3)C[C@H]21)N(C)C ZINC001114849268 1293006363 /nfs/dbraw/zinc/00/63/63/1293006363.db2.gz MUYWRQITYUGTEY-ZGXWSNOMSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114849544 1293016039 /nfs/dbraw/zinc/01/60/39/1293016039.db2.gz RPUIUDYZQIZEHT-XWTMOSNGSA-N 1 3 335.536 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)N(C)C ZINC001114849544 1293016049 /nfs/dbraw/zinc/01/60/49/1293016049.db2.gz RPUIUDYZQIZEHT-XWTMOSNGSA-N 1 3 335.536 2.589 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001192907254 1293096305 /nfs/dbraw/zinc/09/63/05/1293096305.db2.gz UZLKNDYXUCJSNO-DLBZAZTESA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@H](C)F)C1 ZINC001192907254 1293096309 /nfs/dbraw/zinc/09/63/09/1293096309.db2.gz UZLKNDYXUCJSNO-DLBZAZTESA-N 1 3 329.504 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001192947023 1293106984 /nfs/dbraw/zinc/10/69/84/1293106984.db2.gz GKQHLFLWXBGFLB-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2c(C)cc(C)cc2C)C1 ZINC001192947023 1293106989 /nfs/dbraw/zinc/10/69/89/1293106989.db2.gz GKQHLFLWXBGFLB-IBGZPJMESA-N 1 3 345.531 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001192946706 1293107263 /nfs/dbraw/zinc/10/72/63/1293107263.db2.gz DXRCGVBQHOQAHZ-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001192946706 1293107266 /nfs/dbraw/zinc/10/72/66/1293107266.db2.gz DXRCGVBQHOQAHZ-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192947369 1293107322 /nfs/dbraw/zinc/10/73/22/1293107322.db2.gz ICSNGXDPXXCGSR-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(CC)CC)C2)cc1 ZINC001192947369 1293107325 /nfs/dbraw/zinc/10/73/25/1293107325.db2.gz ICSNGXDPXXCGSR-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001192946708 1293107461 /nfs/dbraw/zinc/10/74/61/1293107461.db2.gz DXRCGVBQHOQAHZ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001192946708 1293107463 /nfs/dbraw/zinc/10/74/63/1293107463.db2.gz DXRCGVBQHOQAHZ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C12CCC2 ZINC001203640528 1312978314 /nfs/dbraw/zinc/97/83/14/1312978314.db2.gz DCRVWGVVRCEJST-MSOLQXFVSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001192969361 1293125980 /nfs/dbraw/zinc/12/59/80/1293125980.db2.gz IJPOJXAHIWSYJG-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001192969361 1293125981 /nfs/dbraw/zinc/12/59/81/1293125981.db2.gz IJPOJXAHIWSYJG-ZWKOTPCHSA-N 1 3 331.504 2.931 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001192968678 1293126080 /nfs/dbraw/zinc/12/60/80/1293126080.db2.gz ASWAQOYZUFUXQA-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001192968678 1293126081 /nfs/dbraw/zinc/12/60/81/1293126081.db2.gz ASWAQOYZUFUXQA-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001192969053 1293126265 /nfs/dbraw/zinc/12/62/65/1293126265.db2.gz GGGGASRGFFBENB-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001192969053 1293126270 /nfs/dbraw/zinc/12/62/70/1293126270.db2.gz GGGGASRGFFBENB-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203642833 1312979099 /nfs/dbraw/zinc/97/90/99/1312979099.db2.gz ZFTNKLWYQPMERA-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C12CCC2 ZINC001203642840 1312979110 /nfs/dbraw/zinc/97/91/10/1312979110.db2.gz ZFTNKLWYQPMERA-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203652553 1312982052 /nfs/dbraw/zinc/98/20/52/1312982052.db2.gz VPKKBHVXHIPJHP-MOPGFXCFSA-N 1 3 343.515 2.588 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203660652 1312983893 /nfs/dbraw/zinc/98/38/93/1312983893.db2.gz RCIRNLPOLNXCBU-OSNZYPHYSA-N 1 3 330.476 2.634 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193279982 1293232520 /nfs/dbraw/zinc/23/25/20/1293232520.db2.gz SAVZKIVJWKXJGU-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193279982 1293232523 /nfs/dbraw/zinc/23/25/23/1293232523.db2.gz SAVZKIVJWKXJGU-CRAIPNDOSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193279983 1293232641 /nfs/dbraw/zinc/23/26/41/1293232641.db2.gz SAVZKIVJWKXJGU-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001193279983 1293232648 /nfs/dbraw/zinc/23/26/48/1293232648.db2.gz SAVZKIVJWKXJGU-MAUKXSAKSA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001193289901 1293237428 /nfs/dbraw/zinc/23/74/28/1293237428.db2.gz BNRCBJDFPNBKOR-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC001193289901 1293237431 /nfs/dbraw/zinc/23/74/31/1293237431.db2.gz BNRCBJDFPNBKOR-KRWDZBQOSA-N 1 3 337.895 2.715 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193460391 1293310839 /nfs/dbraw/zinc/31/08/39/1293310839.db2.gz BSYWGWDCAUDVTI-WOPDUGCTSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193460391 1293310840 /nfs/dbraw/zinc/31/08/40/1293310840.db2.gz BSYWGWDCAUDVTI-WOPDUGCTSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819025 1312995920 /nfs/dbraw/zinc/99/59/20/1312995920.db2.gz INIFXWWRJODIDP-KXBFYZLASA-N 1 3 339.499 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193622002 1293370175 /nfs/dbraw/zinc/37/01/75/1293370175.db2.gz KWWYVSVSBADVTH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1 ZINC001193622002 1293370182 /nfs/dbraw/zinc/37/01/82/1293370182.db2.gz KWWYVSVSBADVTH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc3ccccc3o2)C1 ZINC001193622998 1293373419 /nfs/dbraw/zinc/37/34/19/1293373419.db2.gz VMFUGLMACQCVKA-QGZVFWFLSA-N 1 3 343.471 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3o2)C1 ZINC001193622998 1293373427 /nfs/dbraw/zinc/37/34/27/1293373427.db2.gz VMFUGLMACQCVKA-QGZVFWFLSA-N 1 3 343.471 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193630881 1293376294 /nfs/dbraw/zinc/37/62/94/1293376294.db2.gz PZISKENIYNDPFI-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccccc2C)C1 ZINC001193630881 1293376302 /nfs/dbraw/zinc/37/63/02/1293376302.db2.gz PZISKENIYNDPFI-ROUUACIJSA-N 1 3 331.504 2.931 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CCCCC2)CC3)C1 ZINC001016820828 1312997261 /nfs/dbraw/zinc/99/72/61/1312997261.db2.gz UZJXNMXPBBQNKO-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccc(C)cc2)C1 ZINC001193641997 1293381521 /nfs/dbraw/zinc/38/15/21/1293381521.db2.gz KDMXFWMTPKMLLB-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccc(C)cc2)C1 ZINC001193641997 1293381528 /nfs/dbraw/zinc/38/15/28/1293381528.db2.gz KDMXFWMTPKMLLB-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccccc2C)C1 ZINC001193641633 1293382123 /nfs/dbraw/zinc/38/21/23/1293382123.db2.gz IHEWVUXRHDYSFR-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccccc2C)C1 ZINC001193641633 1293382132 /nfs/dbraw/zinc/38/21/32/1293382132.db2.gz IHEWVUXRHDYSFR-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CC23CC[NH+](CC2CCCCC2)CC3)C1 ZINC001016820826 1312997568 /nfs/dbraw/zinc/99/75/68/1312997568.db2.gz UZJXNMXPBBQNKO-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193643509 1293384847 /nfs/dbraw/zinc/38/48/47/1293384847.db2.gz VEKUOMXZDAHHLA-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001193643509 1293384855 /nfs/dbraw/zinc/38/48/55/1293384855.db2.gz VEKUOMXZDAHHLA-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC001193601036 1293388214 /nfs/dbraw/zinc/38/82/14/1293388214.db2.gz QUVPJSDNTZSADS-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCc2ccccc2F)C1 ZINC001193601036 1293388219 /nfs/dbraw/zinc/38/82/19/1293388219.db2.gz QUVPJSDNTZSADS-SFHVURJKSA-N 1 3 349.494 2.633 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CC2=CCCCC2)CC3)C1 ZINC001016826696 1312999755 /nfs/dbraw/zinc/99/97/55/1312999755.db2.gz RSQNNRGYXMAEOE-MJGOQNOKSA-N 1 3 345.531 2.799 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](Cc2ccsc2)CC3)C1 ZINC001016830109 1313001081 /nfs/dbraw/zinc/00/10/81/1313001081.db2.gz PZNXHARXMOSVLI-RDJZCZTQSA-N 1 3 347.528 2.561 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001016829216 1313001284 /nfs/dbraw/zinc/00/12/84/1313001284.db2.gz LKGSGWLVRKXDLJ-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ncc(Br)cc1CN1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205651922 1293514543 /nfs/dbraw/zinc/51/45/43/1293514543.db2.gz LVTIDGPAQGKXLB-DGCLKSJQSA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228676 1293548428 /nfs/dbraw/zinc/54/84/28/1293548428.db2.gz SHLDEJYCIQRWSW-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228676 1293548431 /nfs/dbraw/zinc/54/84/31/1293548431.db2.gz SHLDEJYCIQRWSW-QAPCUYQASA-N 1 3 335.467 2.643 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194228690 1293548459 /nfs/dbraw/zinc/54/84/59/1293548459.db2.gz SKRPONHQJDFGDV-IBGZPJMESA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](F)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228677 1293548705 /nfs/dbraw/zinc/54/87/05/1293548705.db2.gz SHLDEJYCIQRWSW-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001194228677 1293548710 /nfs/dbraw/zinc/54/87/10/1293548710.db2.gz SHLDEJYCIQRWSW-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246766 1293569836 /nfs/dbraw/zinc/56/98/36/1293569836.db2.gz RLPBOYAOALMUFQ-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001194246766 1293569839 /nfs/dbraw/zinc/56/98/39/1293569839.db2.gz RLPBOYAOALMUFQ-FUHWJXTLSA-N 1 3 331.504 2.941 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]([NH2+]CCCF)C23CCC3)c1 ZINC001203773325 1313011431 /nfs/dbraw/zinc/01/14/31/1313011431.db2.gz VLOSSUZECJEZGU-QZTJIDSGSA-N 1 3 347.478 2.738 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284693 1293587072 /nfs/dbraw/zinc/58/70/72/1293587072.db2.gz LWJJNHMGKLQDBA-SFHVURJKSA-N 1 3 331.504 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284693 1293587076 /nfs/dbraw/zinc/58/70/76/1293587076.db2.gz LWJJNHMGKLQDBA-SFHVURJKSA-N 1 3 331.504 2.676 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285184 1293587764 /nfs/dbraw/zinc/58/77/64/1293587764.db2.gz QULBLGGIBOHDBH-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285184 1293587770 /nfs/dbraw/zinc/58/77/70/1293587770.db2.gz QULBLGGIBOHDBH-IBGZPJMESA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293008 1293589852 /nfs/dbraw/zinc/58/98/52/1293589852.db2.gz CYSOFPZTWVJTFE-HXUWFJFHSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194293008 1293589855 /nfs/dbraw/zinc/58/98/55/1293589855.db2.gz CYSOFPZTWVJTFE-HXUWFJFHSA-N 1 3 345.531 2.664 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001194293376 1293590583 /nfs/dbraw/zinc/59/05/83/1293590583.db2.gz GYAMKQDUFZOLEO-QGZVFWFLSA-N 1 3 337.533 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001194293376 1293590592 /nfs/dbraw/zinc/59/05/92/1293590592.db2.gz GYAMKQDUFZOLEO-QGZVFWFLSA-N 1 3 337.533 2.738 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862383 1313016237 /nfs/dbraw/zinc/01/62/37/1313016237.db2.gz XQPLNPFXIPMIOO-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203794099 1313017738 /nfs/dbraw/zinc/01/77/38/1313017738.db2.gz USKHMJUGLSKXRC-QZTJIDSGSA-N 1 3 335.536 2.924 20 0 EFADHO CC[C@H](C)C[NH2+]C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001203869342 1313037219 /nfs/dbraw/zinc/03/72/19/1313037219.db2.gz DJIXBQUSCJXRHW-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884186348 1294036825 /nfs/dbraw/zinc/03/68/25/1294036825.db2.gz XRLPJEOFVQKOCG-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884186348 1294036830 /nfs/dbraw/zinc/03/68/30/1294036830.db2.gz XRLPJEOFVQKOCG-HNAYVOBHSA-N 1 3 329.488 2.805 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866071 1294064529 /nfs/dbraw/zinc/06/45/29/1294064529.db2.gz UQOHISIXCCDBNJ-IFEVLTCRSA-N 1 3 333.520 2.751 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195866071 1294064537 /nfs/dbraw/zinc/06/45/37/1294064537.db2.gz UQOHISIXCCDBNJ-IFEVLTCRSA-N 1 3 333.520 2.751 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001203924735 1313048618 /nfs/dbraw/zinc/04/86/18/1313048618.db2.gz GJGNOXYYEUCIDO-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC000884312714 1294091127 /nfs/dbraw/zinc/09/11/27/1294091127.db2.gz LYLHLXFCRKPMDS-HOTGVXAUSA-N 1 3 325.884 2.693 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024242 1294109468 /nfs/dbraw/zinc/10/94/68/1294109468.db2.gz GMMOOICBANUEPP-GFOMBABLSA-N 1 3 341.515 2.947 20 0 EFADHO CCC/C=C/CC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196024242 1294109472 /nfs/dbraw/zinc/10/94/72/1294109472.db2.gz GMMOOICBANUEPP-GFOMBABLSA-N 1 3 341.515 2.947 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC001196033882 1294117830 /nfs/dbraw/zinc/11/78/30/1294117830.db2.gz VDRREADXSBQVIM-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001196033882 1294117835 /nfs/dbraw/zinc/11/78/35/1294117835.db2.gz VDRREADXSBQVIM-GOSISDBHSA-N 1 3 341.515 2.781 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCc3ccccc32)c1 ZINC001152245377 1294121945 /nfs/dbraw/zinc/12/19/45/1294121945.db2.gz FFLKFVGAGCDTEX-HXUWFJFHSA-N 1 3 337.467 2.755 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001196276295 1294189599 /nfs/dbraw/zinc/18/95/99/1294189599.db2.gz XWZBCVUNUKVSGW-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001196276295 1294189603 /nfs/dbraw/zinc/18/96/03/1294189603.db2.gz XWZBCVUNUKVSGW-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001196276294 1294189861 /nfs/dbraw/zinc/18/98/61/1294189861.db2.gz XWZBCVUNUKVSGW-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001196276294 1294189864 /nfs/dbraw/zinc/18/98/64/1294189864.db2.gz XWZBCVUNUKVSGW-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CC/C=C/CCN1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619510 1294307302 /nfs/dbraw/zinc/30/73/02/1294307302.db2.gz DCLPISQNEJFZDH-RTLBZRNLSA-N 1 3 333.520 2.751 20 0 EFADHO O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCN(CCCCCF)CC1 ZINC001196619877 1294307398 /nfs/dbraw/zinc/30/73/98/1294307398.db2.gz NRRQOGBMTJKAMW-SFHVURJKSA-N 1 3 339.499 2.535 20 0 EFADHO COCC[N@@H+]1CCOC[C@]2(CCCN(Cc3ccc(C)s3)C2)C1 ZINC001204032096 1313067962 /nfs/dbraw/zinc/06/79/62/1313067962.db2.gz OAIXIDXCHDOQSI-GOSISDBHSA-N 1 3 338.517 2.617 20 0 EFADHO COCC[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(C)s3)C2)C1 ZINC001204032096 1313067965 /nfs/dbraw/zinc/06/79/65/1313067965.db2.gz OAIXIDXCHDOQSI-GOSISDBHSA-N 1 3 338.517 2.617 20 0 EFADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982834 1313071060 /nfs/dbraw/zinc/07/10/60/1313071060.db2.gz MEAZCMRLUGEJPN-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001196970817 1294414625 /nfs/dbraw/zinc/41/46/25/1294414625.db2.gz YIEPSWCJBSVFPE-IBGZPJMESA-N 1 3 329.488 2.550 20 0 EFADHO CC[C@@H](C(=O)N1CCCN(CCCCCF)CC1)[NH+](CC)CC ZINC001197142224 1294458552 /nfs/dbraw/zinc/45/85/52/1294458552.db2.gz VFZILOUCZCGYEM-KRWDZBQOSA-N 1 3 329.504 2.781 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000958784885 1294484110 /nfs/dbraw/zinc/48/41/10/1294484110.db2.gz YRSOVFNDOXSZJV-RBUKOAKNSA-N 1 3 329.488 2.595 20 0 EFADHO CC[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCCN1C(C)C ZINC000958802731 1294502489 /nfs/dbraw/zinc/50/24/89/1294502489.db2.gz CCULGFDUWRZIOC-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCCN1CC ZINC000958809073 1294512332 /nfs/dbraw/zinc/51/23/32/1294512332.db2.gz BBAVWYLJUJFWTH-MOPGFXCFSA-N 1 3 329.488 2.596 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)N1CCCN(CC[C@H](C)F)CC1)C(C)C ZINC001197484671 1294564639 /nfs/dbraw/zinc/56/46/39/1294564639.db2.gz HYDGGGRPAQSQLI-DLBZAZTESA-N 1 3 329.504 2.635 20 0 EFADHO c1cn(CC[N@@H+]2CCC[C@]3(CCCN(C[C@@H]4CCCCO4)C3)C2)cn1 ZINC001276442185 1313084262 /nfs/dbraw/zinc/08/42/62/1313084262.db2.gz AGJLJHKTCDIPND-PMACEKPBSA-N 1 3 346.519 2.630 20 0 EFADHO c1cn(CC[N@H+]2CCC[C@]3(CCCN(C[C@@H]4CCCCO4)C3)C2)cn1 ZINC001276442185 1313084266 /nfs/dbraw/zinc/08/42/66/1313084266.db2.gz AGJLJHKTCDIPND-PMACEKPBSA-N 1 3 346.519 2.630 20 0 EFADHO c1cn(CC[N@@H+]2CCC[C@@]3(CCCN(C[C@H]4CCCCO4)C3)C2)cn1 ZINC001276442191 1313084467 /nfs/dbraw/zinc/08/44/67/1313084467.db2.gz AGJLJHKTCDIPND-WOJBJXKFSA-N 1 3 346.519 2.630 20 0 EFADHO c1cn(CC[N@H+]2CCC[C@@]3(CCCN(C[C@H]4CCCCO4)C3)C2)cn1 ZINC001276442191 1313084471 /nfs/dbraw/zinc/08/44/71/1313084471.db2.gz AGJLJHKTCDIPND-WOJBJXKFSA-N 1 3 346.519 2.630 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276355902 1294586035 /nfs/dbraw/zinc/58/60/35/1294586035.db2.gz ZZSYGOCGAGCZEH-UHFFFAOYSA-N 1 3 326.444 2.603 20 0 EFADHO O=c1cccc(CN2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)[nH]1 ZINC001276355902 1294586045 /nfs/dbraw/zinc/58/60/45/1294586045.db2.gz ZZSYGOCGAGCZEH-UHFFFAOYSA-N 1 3 326.444 2.603 20 0 EFADHO C[C@H](CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2)CC(F)(F)F ZINC001273747612 1294603785 /nfs/dbraw/zinc/60/37/85/1294603785.db2.gz PWXMHEBMQHGVCH-HOCLYGCPSA-N 1 3 349.441 2.594 20 0 EFADHO CSc1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001204147376 1313090113 /nfs/dbraw/zinc/09/01/13/1313090113.db2.gz YLLSTJACUMKDBW-UHFFFAOYSA-N 1 3 333.545 2.868 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001049615690 1313090185 /nfs/dbraw/zinc/09/01/85/1313090185.db2.gz NIGGILOREQLIPW-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049615690 1313090189 /nfs/dbraw/zinc/09/01/89/1313090189.db2.gz NIGGILOREQLIPW-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO CCc1ccc(CN2CCC[C@@]3(C2)COCC[N@H+](CCOC)C3)cc1 ZINC001204176393 1313096938 /nfs/dbraw/zinc/09/69/38/1313096938.db2.gz PZBUAAYNVAIDMK-OAQYLSRUSA-N 1 3 346.515 2.810 20 0 EFADHO CCc1ccc(CN2CCC[C@@]3(C2)COCC[N@@H+](CCOC)C3)cc1 ZINC001204176393 1313096944 /nfs/dbraw/zinc/09/69/44/1313096944.db2.gz PZBUAAYNVAIDMK-OAQYLSRUSA-N 1 3 346.515 2.810 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006401658 1294737098 /nfs/dbraw/zinc/73/70/98/1294737098.db2.gz UPMKMJADXKSSDC-DOTOQJQBSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006401658 1294737108 /nfs/dbraw/zinc/73/71/08/1294737108.db2.gz UPMKMJADXKSSDC-DOTOQJQBSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H](NCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1F ZINC001152384355 1294824062 /nfs/dbraw/zinc/82/40/62/1294824062.db2.gz SYSVZERPJCZQBR-HNNXBMFYSA-N 1 3 343.446 2.968 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)C1 ZINC001198097721 1294875420 /nfs/dbraw/zinc/87/54/20/1294875420.db2.gz FURKIMNPBYGVOK-JOCSGSGBSA-N 1 3 341.499 2.576 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(CC/C=C/c3ccccc3)CC2)C1 ZINC001198097721 1294875430 /nfs/dbraw/zinc/87/54/30/1294875430.db2.gz FURKIMNPBYGVOK-JOCSGSGBSA-N 1 3 341.499 2.576 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCN(CC3CC3)CC2)cc1 ZINC001204268783 1313111720 /nfs/dbraw/zinc/11/17/20/1313111720.db2.gz PPRJGEJHPJRTFU-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CCCN(CC2=CCCCC2)CC1 ZINC001198243104 1294952346 /nfs/dbraw/zinc/95/23/46/1294952346.db2.gz DWDBOGIEVVVKKV-UHFFFAOYSA-N 1 3 333.520 2.897 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001152445198 1295006657 /nfs/dbraw/zinc/00/66/57/1295006657.db2.gz DBMVAJOFLIQXRS-MRXNPFEDSA-N 1 3 341.858 2.559 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@H]2c2ccccc2)CC1 ZINC000886545682 1295010763 /nfs/dbraw/zinc/01/07/63/1295010763.db2.gz PWENSGWNGDCIEN-JXFKEZNVSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001006411122 1295049699 /nfs/dbraw/zinc/04/96/99/1295049699.db2.gz PBWQLVLUWAKKBQ-MBNRZODZSA-N 1 3 341.499 2.574 20 0 EFADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(C/C=C/c2ccccc2)CC1 ZINC001006411122 1295049706 /nfs/dbraw/zinc/04/97/06/1295049706.db2.gz PBWQLVLUWAKKBQ-MBNRZODZSA-N 1 3 341.499 2.574 20 0 EFADHO c1ccc([C@H]2CSCCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903725192 1313122875 /nfs/dbraw/zinc/12/28/75/1313122875.db2.gz XUWBAXHWFCBKDW-QZTJIDSGSA-N 1 3 332.513 2.935 20 0 EFADHO c1ccc([C@@H]2CSCCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903725193 1313122971 /nfs/dbraw/zinc/12/29/71/1313122971.db2.gz XUWBAXHWFCBKDW-ROUUACIJSA-N 1 3 332.513 2.935 20 0 EFADHO c1ccc([C@H]2CN(C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCS2)cc1 ZINC000903730494 1313132031 /nfs/dbraw/zinc/13/20/31/1313132031.db2.gz WTJPHDFQCLVGKO-ZWKOTPCHSA-N 1 3 332.513 2.935 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NC(C)C ZINC001198723319 1295206089 /nfs/dbraw/zinc/20/60/89/1295206089.db2.gz DNKZQGRRUNZIRK-ZWKOTPCHSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NC(C)C ZINC001198723319 1295206101 /nfs/dbraw/zinc/20/61/01/1295206101.db2.gz DNKZQGRRUNZIRK-ZWKOTPCHSA-N 1 3 347.503 2.723 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC(C)C ZINC001198766634 1295241523 /nfs/dbraw/zinc/24/15/23/1295241523.db2.gz FDVFOAGBTQPEMC-HKUYNNGSSA-N 1 3 349.519 2.684 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071421 1313139696 /nfs/dbraw/zinc/13/96/96/1313139696.db2.gz MKNVNDLSRMERKE-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001017071421 1313139701 /nfs/dbraw/zinc/13/97/01/1313139701.db2.gz MKNVNDLSRMERKE-HKUYNNGSSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001017071384 1313140079 /nfs/dbraw/zinc/14/00/79/1313140079.db2.gz LWALVOMYJJKHFN-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001017071384 1313140082 /nfs/dbraw/zinc/14/00/82/1313140082.db2.gz LWALVOMYJJKHFN-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)NC[C@H](NC(C)C)c1ccccc1OC)[NH+](CC)CC ZINC001198894999 1295296876 /nfs/dbraw/zinc/29/68/76/1295296876.db2.gz NNPQCVDAODXKEO-ZWKOTPCHSA-N 1 3 349.519 2.971 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)CN1CCC[C@H]1C)c1ccccc1OC ZINC001198901882 1295302909 /nfs/dbraw/zinc/30/29/09/1295302909.db2.gz AEYLKHGKBRGWQS-SJLPKXTDSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)C)c1ccccc1OC)N(C)C ZINC001198903215 1295306066 /nfs/dbraw/zinc/30/60/66/1295306066.db2.gz WXZCEZGAPMRUGS-MSOLQXFVSA-N 1 3 349.519 2.828 20 0 EFADHO CCCCN[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1OC ZINC001198885764 1295319112 /nfs/dbraw/zinc/31/91/12/1295319112.db2.gz RMUFFFJICCLFEU-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1OC ZINC001198924903 1295335149 /nfs/dbraw/zinc/33/51/49/1295335149.db2.gz NZKFBXTWQQLCCD-ROUUACIJSA-N 1 3 347.503 2.725 20 0 EFADHO CCN[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)c1ccccc1OC ZINC001198924903 1295335160 /nfs/dbraw/zinc/33/51/60/1295335160.db2.gz NZKFBXTWQQLCCD-ROUUACIJSA-N 1 3 347.503 2.725 20 0 EFADHO CCN(CC)CC(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC001198938945 1295343938 /nfs/dbraw/zinc/34/39/38/1295343938.db2.gz FLKWLEOGWQMPQO-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](NCCC(C)C)c1ccccc1OC ZINC001198953946 1295353070 /nfs/dbraw/zinc/35/30/70/1295353070.db2.gz WYYZWVFGERSOQI-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](NCCC(C)C)c1ccccc1OC ZINC001198953946 1295353077 /nfs/dbraw/zinc/35/30/77/1295353077.db2.gz WYYZWVFGERSOQI-SFHVURJKSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960698 1295358989 /nfs/dbraw/zinc/35/89/89/1295358989.db2.gz LQGNJSWGTBKDRJ-AEFFLSMTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960698 1295358993 /nfs/dbraw/zinc/35/89/93/1295358993.db2.gz LQGNJSWGTBKDRJ-AEFFLSMTSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968576 1295365562 /nfs/dbraw/zinc/36/55/62/1295365562.db2.gz OBBLMQHVNMMBIF-GOSISDBHSA-N 1 3 349.519 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1OC ZINC001198993797 1295390469 /nfs/dbraw/zinc/39/04/69/1295390469.db2.gz SDBSRCSQWKEJOW-QZTJIDSGSA-N 1 3 347.503 2.725 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472926 1313162939 /nfs/dbraw/zinc/16/29/39/1313162939.db2.gz RXGMJLWGQVVZGJ-WTGUMLROSA-N 1 3 347.547 2.711 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472926 1313162941 /nfs/dbraw/zinc/16/29/41/1313162941.db2.gz RXGMJLWGQVVZGJ-WTGUMLROSA-N 1 3 347.547 2.711 20 0 EFADHO Cc1cc(F)cc(C)c1CN1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274224291 1295595131 /nfs/dbraw/zinc/59/51/31/1295595131.db2.gz WVHOTFHUFJKTMM-FQEVSTJZSA-N 1 3 347.478 2.571 20 0 EFADHO CCc1nc2c(s1)[C@H](N(C)C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CCC2 ZINC000903756009 1313170260 /nfs/dbraw/zinc/17/02/60/1313170260.db2.gz OCKCTGDSRROOFQ-JCKWVBRZSA-N 1 3 335.517 2.783 20 0 EFADHO FC(F)(F)c1ccn(C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903756484 1313170920 /nfs/dbraw/zinc/17/09/20/1313170920.db2.gz SGUSYTYTZOAMMH-CYBMUJFWSA-N 1 3 330.398 2.929 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644067 1313176587 /nfs/dbraw/zinc/17/65/87/1313176587.db2.gz SFFOPAUJKYNLOE-DLBZAZTESA-N 1 3 329.504 2.635 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CN(CC)CC ZINC001234644067 1313176589 /nfs/dbraw/zinc/17/65/89/1313176589.db2.gz SFFOPAUJKYNLOE-DLBZAZTESA-N 1 3 329.504 2.635 20 0 EFADHO Fc1cccc(C2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1F ZINC000903763207 1313177759 /nfs/dbraw/zinc/17/77/59/1313177759.db2.gz IMQHBHMVWHNVCJ-BEFAXECRSA-N 1 3 336.426 2.913 20 0 EFADHO c1nc2cnccn2c1C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001199851147 1295775264 /nfs/dbraw/zinc/77/52/64/1295775264.db2.gz OEKBRYXAXWQELL-SFHVURJKSA-N 1 3 335.455 2.731 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141839 1313198617 /nfs/dbraw/zinc/19/86/17/1313198617.db2.gz JPCOFWJWJPHHDE-QUCCMNQESA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)C1CC1 ZINC001017141839 1313198620 /nfs/dbraw/zinc/19/86/20/1313198620.db2.gz JPCOFWJWJPHHDE-QUCCMNQESA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H](c1ccccc1)N1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903783221 1313206034 /nfs/dbraw/zinc/20/60/34/1313206034.db2.gz WNVLNANRNYNTJJ-ICSRJNTNSA-N 1 3 343.515 2.524 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001037246335 1296040289 /nfs/dbraw/zinc/04/02/89/1296040289.db2.gz KXBZPDQEIGHMRF-IRXDYDNUSA-N 1 3 332.492 2.715 20 0 EFADHO C[C@H](C(=O)N1CCC(C)CC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794113 1313224300 /nfs/dbraw/zinc/22/43/00/1313224300.db2.gz OAUVTMJPOWSCHF-GOSISDBHSA-N 1 3 343.515 2.626 20 0 EFADHO C[C@H](C(=O)NC1CCCCC1)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794405 1313224435 /nfs/dbraw/zinc/22/44/35/1313224435.db2.gz UAMDAYVFHZUKNP-QGZVFWFLSA-N 1 3 343.515 2.816 20 0 EFADHO [NH3+]CC1(c2ccccc2)CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000903794458 1313225078 /nfs/dbraw/zinc/22/50/78/1313225078.db2.gz VWLCVOWUUGRUBL-FQEVSTJZSA-N 1 3 349.478 2.784 20 0 EFADHO CCC(CC)NC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794542 1313225122 /nfs/dbraw/zinc/22/51/22/1313225122.db2.gz YZFGECDEDIPHGS-MRXNPFEDSA-N 1 3 331.504 2.672 20 0 EFADHO CCC(CC)NC(=O)[C@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794541 1313225208 /nfs/dbraw/zinc/22/52/08/1313225208.db2.gz YZFGECDEDIPHGS-INIZCTEOSA-N 1 3 331.504 2.672 20 0 EFADHO COc1ccc(-c2ncc(CN3CCC(C[NH3+])CC3)s2)cc1OC ZINC001205047483 1313226117 /nfs/dbraw/zinc/22/61/17/1313226117.db2.gz WCMAZLQIPYVIIL-UHFFFAOYSA-N 1 3 347.484 2.998 20 0 EFADHO CN1CC2(C1)CCC[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001274920832 1296216035 /nfs/dbraw/zinc/21/60/35/1296216035.db2.gz QKJSWTNDDUNXFT-FQEVSTJZSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CC2(C1)CCC[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)C2 ZINC001274920832 1296216045 /nfs/dbraw/zinc/21/60/45/1296216045.db2.gz QKJSWTNDDUNXFT-FQEVSTJZSA-N 1 3 327.516 2.926 20 0 EFADHO CN1CC2(C1)CCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC001275412085 1296274889 /nfs/dbraw/zinc/27/48/89/1296274889.db2.gz OXHNNCLUKZEURS-UHFFFAOYSA-N 1 3 341.499 2.840 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1coc3ccc(F)cc13)C2 ZINC001275484599 1296293969 /nfs/dbraw/zinc/29/39/69/1296293969.db2.gz BZUAWBIFGMJPLB-PBHICJAKSA-N 1 3 331.435 2.640 20 0 EFADHO [NH3+]C[C@]1(O)CCCN(Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC001205221193 1313252995 /nfs/dbraw/zinc/25/29/95/1313252995.db2.gz QYKHYICDRDQXJE-IBGZPJMESA-N 1 3 327.428 2.550 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC000960021542 1296368273 /nfs/dbraw/zinc/36/82/73/1296368273.db2.gz DDMYNZZLBRMYKH-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC000960042700 1296395721 /nfs/dbraw/zinc/39/57/21/1296395721.db2.gz ILTFCDCSTWUWIA-PKOBYXMFSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C ZINC000960042782 1296395973 /nfs/dbraw/zinc/39/59/73/1296395973.db2.gz IXRYCDUFEPDWEQ-HRCADAONSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC000960045299 1296400033 /nfs/dbraw/zinc/40/00/33/1296400033.db2.gz ZYMSLGOQBIKFKQ-ZWKOTPCHSA-N 1 3 335.467 2.637 20 0 EFADHO C[NH+](C)CCN1CCC[C@@]2(CCCN(Cc3cc(O)ccc3F)C2)C1 ZINC001275905528 1296444003 /nfs/dbraw/zinc/44/40/03/1296444003.db2.gz BXOSJZAPOAMNGV-HXUWFJFHSA-N 1 3 349.494 2.771 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC000960092614 1296446600 /nfs/dbraw/zinc/44/66/00/1296446600.db2.gz QXCKWVUGJZYALG-ZYSHUDEJSA-N 1 3 347.478 2.952 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200894397 1296477374 /nfs/dbraw/zinc/47/73/74/1296477374.db2.gz QKQYFCXSRCGKPK-HVCHUGMYSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001200894397 1296477379 /nfs/dbraw/zinc/47/73/79/1296477379.db2.gz QKQYFCXSRCGKPK-HVCHUGMYSA-N 1 3 348.318 2.760 20 0 EFADHO CC(C)=CCC[C@@H](C)CN1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001235204861 1313262465 /nfs/dbraw/zinc/26/24/65/1313262465.db2.gz JTBBKGNESNKEDQ-GOSISDBHSA-N 1 3 348.535 2.843 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC000960131801 1296491950 /nfs/dbraw/zinc/49/19/50/1296491950.db2.gz RJPSMNRXIWNPKJ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000960132740 1296493381 /nfs/dbraw/zinc/49/33/81/1296493381.db2.gz ZTRSXJJSTFUYNH-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO COc1ccc2n[nH]c(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235230257 1313270596 /nfs/dbraw/zinc/27/05/96/1313270596.db2.gz URIFDRXIULGPDU-QGZVFWFLSA-N 1 3 328.460 2.926 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC000960135534 1296496006 /nfs/dbraw/zinc/49/60/06/1296496006.db2.gz HUUMKUAFLBTVBN-HKUYNNGSSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017211584 1313267782 /nfs/dbraw/zinc/26/77/82/1313267782.db2.gz KHRONMNOAYKNDM-LPHOPBHVSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017211584 1313267785 /nfs/dbraw/zinc/26/77/85/1313267785.db2.gz KHRONMNOAYKNDM-LPHOPBHVSA-N 1 3 349.494 2.836 20 0 EFADHO Clc1ncnc2[nH]cc(CN3CCC([C@@H]4CCCC[NH2+]4)CC3)c21 ZINC001235228474 1313269480 /nfs/dbraw/zinc/26/94/80/1313269480.db2.gz MVXGTPAOLHYNBQ-AWEZNQCLSA-N 1 3 333.867 2.917 20 0 EFADHO COc1ccc2[nH]nc(CN3CCC([C@H]4CCCC[NH2+]4)CC3)c2c1 ZINC001235230257 1313270592 /nfs/dbraw/zinc/27/05/92/1313270592.db2.gz URIFDRXIULGPDU-QGZVFWFLSA-N 1 3 328.460 2.926 20 0 EFADHO COc1ccc(OC)c(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c1N ZINC001235230629 1313270313 /nfs/dbraw/zinc/27/03/13/1313270313.db2.gz VICJMCAUOPFDKF-INIZCTEOSA-N 1 3 333.476 2.640 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235232260 1313271135 /nfs/dbraw/zinc/27/11/35/1313271135.db2.gz WYUYPWDMOWBHES-SFHVURJKSA-N 1 3 346.471 2.836 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)ccc1O ZINC001235243085 1313272244 /nfs/dbraw/zinc/27/22/44/1313272244.db2.gz VUJKVTYYJXPJLY-KRWDZBQOSA-N 1 3 332.444 2.533 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001201150015 1296590863 /nfs/dbraw/zinc/59/08/63/1296590863.db2.gz STGUCFZVBGNDTF-WMZOPIPTSA-N 1 3 325.541 2.835 20 0 EFADHO C[N@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222982 1313276341 /nfs/dbraw/zinc/27/63/41/1313276341.db2.gz XJLWXBFLWNQAGI-OAHLLOKOSA-N 1 3 332.492 2.559 20 0 EFADHO C[N@@H+](CC1CC(C)(C)C1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222982 1313276344 /nfs/dbraw/zinc/27/63/44/1313276344.db2.gz XJLWXBFLWNQAGI-OAHLLOKOSA-N 1 3 332.492 2.559 20 0 EFADHO C[N@@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017223307 1313276892 /nfs/dbraw/zinc/27/68/92/1313276892.db2.gz ZFUJUSXKQGFMJY-KRWDZBQOSA-N 1 3 330.476 2.623 20 0 EFADHO C[N@H+](CC1=CCCCC1)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017223307 1313276895 /nfs/dbraw/zinc/27/68/95/1313276895.db2.gz ZFUJUSXKQGFMJY-KRWDZBQOSA-N 1 3 330.476 2.623 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCCCF)C1 ZINC001235263948 1313278099 /nfs/dbraw/zinc/27/80/99/1313278099.db2.gz YMMQPLKXGFRTDZ-MSOLQXFVSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C[C@@H]2CCN2CCCCCF)C1 ZINC001235263948 1313278101 /nfs/dbraw/zinc/27/81/01/1313278101.db2.gz YMMQPLKXGFRTDZ-MSOLQXFVSA-N 1 3 341.515 2.637 20 0 EFADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001235262489 1313278606 /nfs/dbraw/zinc/27/86/06/1313278606.db2.gz OYRLWXFNBZBIRB-PWBPZBFBSA-N 1 3 335.536 2.853 20 0 EFADHO CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001235262489 1313278608 /nfs/dbraw/zinc/27/86/08/1313278608.db2.gz OYRLWXFNBZBIRB-PWBPZBFBSA-N 1 3 335.536 2.853 20 0 EFADHO Cc1ccncc1CN[C@@]12CC[C@@]([NH2+]Cc3cn[nH]c3)(C1)CCC2 ZINC001276198043 1296646512 /nfs/dbraw/zinc/64/65/12/1296646512.db2.gz TZMTWFXUABVPKT-MOPGFXCFSA-N 1 3 325.460 2.838 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2ccsc2)CC1)N(C)C ZINC001201239383 1296647287 /nfs/dbraw/zinc/64/72/87/1296647287.db2.gz KCGVSXJQQJMDFT-QGZVFWFLSA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1)N(C)C ZINC001201239365 1296647654 /nfs/dbraw/zinc/64/76/54/1296647654.db2.gz JZHALRATPLKHDD-CQSZACIVSA-N 1 3 337.430 2.640 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC000960262137 1296665737 /nfs/dbraw/zinc/66/57/37/1296665737.db2.gz MKBXQVRQBQSKGS-CEXWTWQISA-N 1 3 329.488 2.641 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C ZINC000960272837 1296684187 /nfs/dbraw/zinc/68/41/87/1296684187.db2.gz KVQIKNWDUFMCIE-HSALFYBXSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cccc(F)c1 ZINC001205452390 1313291967 /nfs/dbraw/zinc/29/19/67/1313291967.db2.gz DASUXPVOLGSDPZ-RBUKOAKNSA-N 1 3 349.494 2.852 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000353466877 1313294008 /nfs/dbraw/zinc/29/40/08/1313294008.db2.gz KAUPAHPXJANVJF-TTYHFUOFSA-N 1 3 341.499 2.574 20 0 EFADHO O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000353463033 1313294461 /nfs/dbraw/zinc/29/44/61/1313294461.db2.gz UZQWZWPFNRYFBE-VAMGGRTRSA-N 1 3 341.499 2.575 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1)C1CCC1 ZINC001205469784 1313295217 /nfs/dbraw/zinc/29/52/17/1313295217.db2.gz XVHUVMJWVYZJQA-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001201321551 1296725332 /nfs/dbraw/zinc/72/53/32/1296725332.db2.gz PDMQMLMZBOWPCC-UHFFFAOYSA-N 1 3 349.494 2.967 20 0 EFADHO CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCCN1C(C)C ZINC000960311399 1296727428 /nfs/dbraw/zinc/72/74/28/1296727428.db2.gz XQEFZOYIRYDBLO-GUDVDZBRSA-N 1 3 329.488 2.641 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001201327458 1296731156 /nfs/dbraw/zinc/73/11/56/1296731156.db2.gz NKASYUOENRTOTF-UHFFFAOYSA-N 1 3 349.494 2.945 20 0 EFADHO CCOc1cc(Br)cc(CN2CC[C@@H](C3C[NH2+]C3)C2)c1 ZINC001235342210 1313296935 /nfs/dbraw/zinc/29/69/35/1313296935.db2.gz VCXDHATVQWCHFG-CYBMUJFWSA-N 1 3 339.277 2.889 20 0 EFADHO CCCCCC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001205493002 1313298969 /nfs/dbraw/zinc/29/89/69/1313298969.db2.gz QFYBRRZWJSFTLD-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)N(C)C ZINC001205490744 1313298985 /nfs/dbraw/zinc/29/89/85/1313298985.db2.gz WPUWOKMFSNSTBT-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001205516305 1313303594 /nfs/dbraw/zinc/30/35/94/1313303594.db2.gz YKFUPUMMOBVTSZ-FUHWJXTLSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001205516140 1313303614 /nfs/dbraw/zinc/30/36/14/1313303614.db2.gz QCBMXKNLLIXSNS-LJQANCHMSA-N 1 3 349.494 2.537 20 0 EFADHO C[NH+](C)CCOCc1ncn2c1CN(C[C@H]1CC=CCC1)CCC2 ZINC001201417592 1296793118 /nfs/dbraw/zinc/79/31/18/1296793118.db2.gz VOVIETSHCOHIFB-KRWDZBQOSA-N 1 3 332.492 2.523 20 0 EFADHO NC[C@@]12CC[C@@H]1CC[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858591 1313304993 /nfs/dbraw/zinc/30/49/93/1313304993.db2.gz YZJJDMLKQVUGGP-DYVFJYSZSA-N 1 3 332.835 2.746 20 0 EFADHO NC[C@@]12CC[C@@H]1CC[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858591 1313304995 /nfs/dbraw/zinc/30/49/95/1313304995.db2.gz YZJJDMLKQVUGGP-DYVFJYSZSA-N 1 3 332.835 2.746 20 0 EFADHO Cc1c[nH]c(=O)c(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235384503 1313306909 /nfs/dbraw/zinc/30/69/09/1313306909.db2.gz RKSLIYSJNYBKOX-TZIWHRDSSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)c1 ZINC001235384503 1313306914 /nfs/dbraw/zinc/30/69/14/1313306914.db2.gz RKSLIYSJNYBKOX-TZIWHRDSSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CCNC[C@@H]3C2)c1 ZINC001235384503 1313306918 /nfs/dbraw/zinc/30/69/18/1313306918.db2.gz RKSLIYSJNYBKOX-TZIWHRDSSA-N 1 3 337.467 2.849 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001205548850 1313309990 /nfs/dbraw/zinc/30/99/90/1313309990.db2.gz KNOLMTOCPNRKPC-CEXWTWQISA-N 1 3 349.563 2.981 20 0 EFADHO COc1cccc(-c2ncc(CN3CCC[C@](F)(C[NH3+])CC3)cn2)c1 ZINC001205559029 1313312672 /nfs/dbraw/zinc/31/26/72/1313312672.db2.gz NDEHKKXCJOQCNT-LJQANCHMSA-N 1 3 344.434 2.805 20 0 EFADHO COc1ccc(CN(C)Cc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001235401354 1313312795 /nfs/dbraw/zinc/31/27/95/1313312795.db2.gz CBPLQHAYIHFZQW-UHFFFAOYSA-N 1 3 339.483 2.732 20 0 EFADHO CCC[C@H](C)CN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201543280 1296894368 /nfs/dbraw/zinc/89/43/68/1296894368.db2.gz DRNCVVHHPRPJOK-KRWDZBQOSA-N 1 3 349.523 2.532 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC001235426308 1313318965 /nfs/dbraw/zinc/31/89/65/1313318965.db2.gz JZVLQCGGEPMHNQ-HOTGVXAUSA-N 1 3 334.435 2.824 20 0 EFADHO COc1nc(OC)c(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC001235431204 1313319925 /nfs/dbraw/zinc/31/99/25/1313319925.db2.gz MTJBFYMFRCKSDY-HOTGVXAUSA-N 1 3 333.476 2.619 20 0 EFADHO C[C@@H]1CCN(Cc2cccnc2NC(=O)C(C)(C)C)CC[C@H]1C[NH3+] ZINC001205617650 1313323958 /nfs/dbraw/zinc/32/39/58/1313323958.db2.gz LYPZGFCHBZQVBP-CABCVRRESA-N 1 3 332.492 2.873 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(Br)cc2N)CC[C@H]1C[NH3+] ZINC001205627045 1313325892 /nfs/dbraw/zinc/32/58/92/1313325892.db2.gz LXPYQYUUXRTLGY-NEPJUHHUSA-N 1 3 326.282 2.838 20 0 EFADHO Cc1ncc(Br)cc1CN1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205651921 1313331386 /nfs/dbraw/zinc/33/13/86/1313331386.db2.gz LVTIDGPAQGKXLB-AAEUAGOBSA-N 1 3 326.282 2.959 20 0 EFADHO O=C(c1ccc(Cl)cc1)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878344 1313335362 /nfs/dbraw/zinc/33/53/62/1313335362.db2.gz GSBGQEASKBNHKS-DODVFSASSA-N 1 3 347.890 2.628 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960478016 1297067065 /nfs/dbraw/zinc/06/70/65/1297067065.db2.gz KASANFHXISZWBE-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC000960478016 1297067079 /nfs/dbraw/zinc/06/70/79/1297067079.db2.gz KASANFHXISZWBE-QUCCMNQESA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478104 1297067616 /nfs/dbraw/zinc/06/76/16/1297067616.db2.gz LQTJWEWQAJLNDV-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c1 ZINC000960478104 1297067632 /nfs/dbraw/zinc/06/76/32/1297067632.db2.gz LQTJWEWQAJLNDV-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)c1ccc2cc(C[N@@H+]3CCCC[C@](O)(CN)C3)ccc2c1 ZINC001205688343 1313338969 /nfs/dbraw/zinc/33/89/69/1313338969.db2.gz GAVNKXBBCKFLHJ-FQEVSTJZSA-N 1 3 327.472 2.582 20 0 EFADHO CN(C)c1ccc2cc(C[N@H+]3CCCC[C@](O)(CN)C3)ccc2c1 ZINC001205688343 1313338973 /nfs/dbraw/zinc/33/89/73/1313338973.db2.gz GAVNKXBBCKFLHJ-FQEVSTJZSA-N 1 3 327.472 2.582 20 0 EFADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235514793 1313341672 /nfs/dbraw/zinc/34/16/72/1313341672.db2.gz RAADPYBVPHOWOX-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C[C@@H]1CCN1CC1=CCCCC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235514793 1313341675 /nfs/dbraw/zinc/34/16/75/1313341675.db2.gz RAADPYBVPHOWOX-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000960490244 1297099347 /nfs/dbraw/zinc/09/93/47/1297099347.db2.gz WQEPJNSBWRBRIP-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000960490244 1297099361 /nfs/dbraw/zinc/09/93/61/1297099361.db2.gz WQEPJNSBWRBRIP-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC000960491009 1297099983 /nfs/dbraw/zinc/09/99/83/1297099983.db2.gz XEVBVBXVSUIRFX-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000960491009 1297099984 /nfs/dbraw/zinc/09/99/84/1297099984.db2.gz XEVBVBXVSUIRFX-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC000960491322 1297101384 /nfs/dbraw/zinc/10/13/84/1297101384.db2.gz ZWFDRNHYDYEGOC-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC000960491322 1297101389 /nfs/dbraw/zinc/10/13/89/1297101389.db2.gz ZWFDRNHYDYEGOC-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC000960491327 1297102335 /nfs/dbraw/zinc/10/23/35/1297102335.db2.gz ZWFDRNHYDYEGOC-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC000960491327 1297102342 /nfs/dbraw/zinc/10/23/42/1297102342.db2.gz ZWFDRNHYDYEGOC-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960491073 1297102364 /nfs/dbraw/zinc/10/23/64/1297102364.db2.gz YGHDHPIRUVJTOP-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960491073 1297102368 /nfs/dbraw/zinc/10/23/68/1297102368.db2.gz YGHDHPIRUVJTOP-ROUUACIJSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001235589426 1313356123 /nfs/dbraw/zinc/35/61/23/1313356123.db2.gz RWBQLCJYOOTDGL-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001235589426 1313356125 /nfs/dbraw/zinc/35/61/25/1313356125.db2.gz RWBQLCJYOOTDGL-IRXDYDNUSA-N 1 3 325.541 2.932 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H](c2ccccc2)CC1 ZINC000903892730 1313363835 /nfs/dbraw/zinc/36/38/35/1313363835.db2.gz VWURKNUSCVYLCM-OALUTQOASA-N 1 3 339.487 2.972 20 0 EFADHO Cc1c(C[C@@H](C[NH3+])CN2CCC(c3ccc(F)cc3)CC2)cnn1C ZINC000903893615 1313365202 /nfs/dbraw/zinc/36/52/02/1313365202.db2.gz XHFWJHFEFVNEMF-INIZCTEOSA-N 1 3 344.478 2.865 20 0 EFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903895448 1313368531 /nfs/dbraw/zinc/36/85/31/1313368531.db2.gz OAFKXJYKSYASBZ-KYJSFNMBSA-N 1 3 343.450 2.720 20 0 EFADHO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903895449 1313368935 /nfs/dbraw/zinc/36/89/35/1313368935.db2.gz OAFKXJYKSYASBZ-QGPMSJSTSA-N 1 3 343.450 2.720 20 0 EFADHO CN(CCOc1ccccc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001235675876 1313372274 /nfs/dbraw/zinc/37/22/74/1313372274.db2.gz MUWSVQFZWJNBLP-UHFFFAOYSA-N 1 3 325.456 2.607 20 0 EFADHO Cc1ccccc1O[C@H]1CCCN(Cc2ccc3n2CC[NH2+]C3)C1 ZINC001235689680 1313375889 /nfs/dbraw/zinc/37/58/89/1313375889.db2.gz BAKNITOSVVOYOR-IBGZPJMESA-N 1 3 325.456 2.943 20 0 EFADHO COc1ccccc1CN1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001235691768 1313377276 /nfs/dbraw/zinc/37/72/76/1313377276.db2.gz RUDDXCZMYQMPGE-UHFFFAOYSA-N 1 3 343.515 2.593 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000960666636 1297390200 /nfs/dbraw/zinc/39/02/00/1297390200.db2.gz CULMIAHOPTUVMT-IBGZPJMESA-N 1 3 329.488 2.594 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000960666636 1297390207 /nfs/dbraw/zinc/39/02/07/1297390207.db2.gz CULMIAHOPTUVMT-IBGZPJMESA-N 1 3 329.488 2.594 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC000960667101 1297393695 /nfs/dbraw/zinc/39/36/95/1297393695.db2.gz HBBCVKCCHQXWDE-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC000960667101 1297393710 /nfs/dbraw/zinc/39/37/10/1297393710.db2.gz HBBCVKCCHQXWDE-HXUWFJFHSA-N 1 3 343.515 2.902 20 0 EFADHO Clc1ccc(CO[C@H]2CCC[N@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235709351 1313382329 /nfs/dbraw/zinc/38/23/29/1313382329.db2.gz FGYWBPONSPWRIX-ROUUACIJSA-N 1 3 338.879 2.700 20 0 EFADHO Clc1ccc(CO[C@H]2CCC[N@@H+](CC[C@H]3CNCCO3)C2)cc1 ZINC001235709351 1313382333 /nfs/dbraw/zinc/38/23/33/1313382333.db2.gz FGYWBPONSPWRIX-ROUUACIJSA-N 1 3 338.879 2.700 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669217 1297401180 /nfs/dbraw/zinc/40/11/80/1297401180.db2.gz SXNPJGSPJBSSMQ-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669217 1297401186 /nfs/dbraw/zinc/40/11/86/1297401186.db2.gz SXNPJGSPJBSSMQ-OALUTQOASA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669216 1297401914 /nfs/dbraw/zinc/40/19/14/1297401914.db2.gz SXNPJGSPJBSSMQ-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1=CCCCC1)C1CC1 ZINC000960669216 1297401917 /nfs/dbraw/zinc/40/19/17/1297401917.db2.gz SXNPJGSPJBSSMQ-MOPGFXCFSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683489 1297417244 /nfs/dbraw/zinc/41/72/44/1297417244.db2.gz RHKRXYLMHKMCCP-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683489 1297417250 /nfs/dbraw/zinc/41/72/50/1297417250.db2.gz RHKRXYLMHKMCCP-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960691324 1297425282 /nfs/dbraw/zinc/42/52/82/1297425282.db2.gz VNNLVBCUVHKDQJ-OALUTQOASA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960691324 1297425288 /nfs/dbraw/zinc/42/52/88/1297425288.db2.gz VNNLVBCUVHKDQJ-OALUTQOASA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1)N(C)C ZINC000960691322 1297425449 /nfs/dbraw/zinc/42/54/49/1297425449.db2.gz VNNLVBCUVHKDQJ-MOPGFXCFSA-N 1 3 331.504 2.696 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1)N(C)C ZINC000960691322 1297425454 /nfs/dbraw/zinc/42/54/54/1297425454.db2.gz VNNLVBCUVHKDQJ-MOPGFXCFSA-N 1 3 331.504 2.696 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3C[C@@H]3C3CC[NH2+]CC3)n2)cc1 ZINC000356881183 1313380746 /nfs/dbraw/zinc/38/07/46/1313380746.db2.gz GRSRHUUZBMJHFK-IAGOWNOFSA-N 1 3 326.444 2.901 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960709500 1297452977 /nfs/dbraw/zinc/45/29/77/1297452977.db2.gz LVUGTTKVUIIHLP-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960709500 1297452974 /nfs/dbraw/zinc/45/29/74/1297452974.db2.gz LVUGTTKVUIIHLP-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1 ZINC000960711194 1297454517 /nfs/dbraw/zinc/45/45/17/1297454517.db2.gz OUEJXRNWABXXJT-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000960711194 1297454519 /nfs/dbraw/zinc/45/45/19/1297454519.db2.gz OUEJXRNWABXXJT-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903908509 1313392973 /nfs/dbraw/zinc/39/29/73/1313392973.db2.gz KGZQAZNOVVCNDD-NEWSRXKRSA-N 1 3 339.487 2.656 20 0 EFADHO Cc1ccc([C@@H]2C[C@H](C)N(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000903913132 1313403387 /nfs/dbraw/zinc/40/33/87/1313403387.db2.gz NJOKBGHIEUYZOS-UHOSZYNNSA-N 1 3 339.487 2.889 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017549014 1313408374 /nfs/dbraw/zinc/40/83/74/1313408374.db2.gz BLZCOOZHSDYKMD-HCXYKTFWSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549014 1313408376 /nfs/dbraw/zinc/40/83/76/1313408376.db2.gz BLZCOOZHSDYKMD-HCXYKTFWSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2=CCCCC2)C1 ZINC000960860881 1297710511 /nfs/dbraw/zinc/71/05/11/1297710511.db2.gz GJHWAARTKFICSV-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2=CCCCC2)C1 ZINC000960860881 1297710517 /nfs/dbraw/zinc/71/05/17/1297710517.db2.gz GJHWAARTKFICSV-IEBWSBKVSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC000960861716 1297713764 /nfs/dbraw/zinc/71/37/64/1297713764.db2.gz HPOWTGABOHSTKX-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC000960861716 1297713778 /nfs/dbraw/zinc/71/37/78/1297713778.db2.gz HPOWTGABOHSTKX-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960861329 1297713867 /nfs/dbraw/zinc/71/38/67/1297713867.db2.gz OBSNDKDQPTVPGY-HZPDHXFCSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC000960861329 1297713876 /nfs/dbraw/zinc/71/38/76/1297713876.db2.gz OBSNDKDQPTVPGY-HZPDHXFCSA-N 1 3 345.478 2.541 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000960862518 1297715294 /nfs/dbraw/zinc/71/52/94/1297715294.db2.gz JMWLFVYSPICVFQ-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)cc1 ZINC000960862518 1297715307 /nfs/dbraw/zinc/71/53/07/1297715307.db2.gz JMWLFVYSPICVFQ-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864759 1297719364 /nfs/dbraw/zinc/71/93/64/1297719364.db2.gz PGQSDXYKGUVNRB-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC000960864759 1297719374 /nfs/dbraw/zinc/71/93/74/1297719374.db2.gz PGQSDXYKGUVNRB-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960867070 1297723291 /nfs/dbraw/zinc/72/32/91/1297723291.db2.gz UTHDPGNREYNLMZ-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960867070 1297723295 /nfs/dbraw/zinc/72/32/95/1297723295.db2.gz UTHDPGNREYNLMZ-PKOBYXMFSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960866632 1297724095 /nfs/dbraw/zinc/72/40/95/1297724095.db2.gz ZMRJKZNPAUQJJQ-ZWKOTPCHSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960866632 1297724101 /nfs/dbraw/zinc/72/41/01/1297724101.db2.gz ZMRJKZNPAUQJJQ-ZWKOTPCHSA-N 1 3 337.552 2.932 20 0 EFADHO COCCCN(Cc1ccc([Si](C)(C)C)cc1)C1CC[NH2+]CC1 ZINC001235936642 1313420026 /nfs/dbraw/zinc/42/00/26/1313420026.db2.gz DQGRXTMVSOIIFY-UHFFFAOYSA-N 1 3 334.580 2.822 20 0 EFADHO COCCC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1CCNCC1 ZINC001235936642 1313420028 /nfs/dbraw/zinc/42/00/28/1313420028.db2.gz DQGRXTMVSOIIFY-UHFFFAOYSA-N 1 3 334.580 2.822 20 0 EFADHO COCCC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C1CCNCC1 ZINC001235936642 1313420031 /nfs/dbraw/zinc/42/00/31/1313420031.db2.gz DQGRXTMVSOIIFY-UHFFFAOYSA-N 1 3 334.580 2.822 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960868910 1297728446 /nfs/dbraw/zinc/72/84/46/1297728446.db2.gz LVUGTTKVUIIHLP-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960868910 1297728451 /nfs/dbraw/zinc/72/84/51/1297728451.db2.gz LVUGTTKVUIIHLP-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO Cn1cnc(CN2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001206213511 1313421571 /nfs/dbraw/zinc/42/15/71/1313421571.db2.gz IINPXZXHRFWQMP-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO Cn1cnc(CN2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001206213511 1313421573 /nfs/dbraw/zinc/42/15/73/1313421573.db2.gz IINPXZXHRFWQMP-UHFFFAOYSA-N 1 3 339.487 2.692 20 0 EFADHO C[N@H+](CC[C@H]1COC(C)(C)N1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001235950281 1313421919 /nfs/dbraw/zinc/42/19/19/1313421919.db2.gz YTJWJPPEFZGPIU-MOPGFXCFSA-N 1 3 331.504 2.555 20 0 EFADHO C[N@@H+](CC[C@H]1COC(C)(C)N1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001235950281 1313421921 /nfs/dbraw/zinc/42/19/21/1313421921.db2.gz YTJWJPPEFZGPIU-MOPGFXCFSA-N 1 3 331.504 2.555 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001488804899 1297764470 /nfs/dbraw/zinc/76/44/70/1297764470.db2.gz NIMWCNZIUNNZFH-MJBXVCDLSA-N 1 3 348.318 2.664 20 0 EFADHO Fc1cc(CNCc2cccc3c2CC[NH2+]C3)ccc1-n1ccnc1 ZINC000903926474 1313428451 /nfs/dbraw/zinc/42/84/51/1313428451.db2.gz SMSUZDMUUBHUNV-UHFFFAOYSA-N 1 3 336.414 2.947 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001206273886 1313429300 /nfs/dbraw/zinc/42/93/00/1313429300.db2.gz CIFNBQHIZDLSTI-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCCC1 ZINC000960916749 1297809505 /nfs/dbraw/zinc/80/95/05/1297809505.db2.gz YFMCFVNJAVJHTQ-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)Cc1c[nH]cn1)CC1CCCCCC1 ZINC000960916749 1297809516 /nfs/dbraw/zinc/80/95/16/1297809516.db2.gz YFMCFVNJAVJHTQ-SFHVURJKSA-N 1 3 332.492 2.845 20 0 EFADHO O=C1CCCN1Cc1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903924487 1313426411 /nfs/dbraw/zinc/42/64/11/1313426411.db2.gz DTJNRPVJUWIATC-UHFFFAOYSA-N 1 3 349.478 2.745 20 0 EFADHO CCC(CC)C[NH2+]CC1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001206288139 1313431955 /nfs/dbraw/zinc/43/19/55/1313431955.db2.gz MMZHXOHEOKWTKS-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCOC(=O)[C@]12CN(Cc3cc(C)c(C)cc3C)C[C@H]1C[NH2+]CC2 ZINC001236042170 1313433276 /nfs/dbraw/zinc/43/32/76/1313433276.db2.gz ZYBDOSLDZBVULS-UYAOXDASSA-N 1 3 330.472 2.586 20 0 EFADHO c1ccc2c(c1)CCN1CCN(Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001236060285 1313435480 /nfs/dbraw/zinc/43/54/80/1313435480.db2.gz NKNOBNCLSSQBIL-QFIPXVFZSA-N 1 3 333.479 2.747 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610830 1313438237 /nfs/dbraw/zinc/43/82/37/1313438237.db2.gz IZTKJWYQGZAPGD-CADBVGFASA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610830 1313438240 /nfs/dbraw/zinc/43/82/40/1313438240.db2.gz IZTKJWYQGZAPGD-CADBVGFASA-N 1 3 335.536 2.686 20 0 EFADHO Cc1c(C[C@H](C[NH3+])CN[C@@H](C)c2ccc3c(c2)CCCO3)cnn1C ZINC000903932542 1313439568 /nfs/dbraw/zinc/43/95/68/1313439568.db2.gz DLYIKVSWPDHAEQ-GOEBONIOSA-N 1 3 342.487 2.522 20 0 EFADHO COc1cc(N2CCN(CCCCCC[NH3+])CC2)ccc1Cl ZINC001236110616 1313442263 /nfs/dbraw/zinc/44/22/63/1313442263.db2.gz COAZRRMKEWCIHY-UHFFFAOYSA-N 1 3 325.884 2.990 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948246615 1297954514 /nfs/dbraw/zinc/95/45/14/1297954514.db2.gz YZNNMDYOUFUECY-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948246615 1297954517 /nfs/dbraw/zinc/95/45/17/1297954517.db2.gz YZNNMDYOUFUECY-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC000948246613 1297955155 /nfs/dbraw/zinc/95/51/55/1297955155.db2.gz YZNNMDYOUFUECY-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000948246613 1297955164 /nfs/dbraw/zinc/95/51/64/1297955164.db2.gz YZNNMDYOUFUECY-MOPGFXCFSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC2)c1 ZINC000961027757 1298024963 /nfs/dbraw/zinc/02/49/63/1298024963.db2.gz OVJXJVUOMQGXLQ-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC2)c1 ZINC000961027757 1298024972 /nfs/dbraw/zinc/02/49/72/1298024972.db2.gz OVJXJVUOMQGXLQ-IBGZPJMESA-N 1 3 329.488 2.695 20 0 EFADHO C[N@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)[C@H]1CCc2ccccc21 ZINC000961027891 1298025906 /nfs/dbraw/zinc/02/59/06/1298025906.db2.gz LQXZGZCLJQJONZ-ICSRJNTNSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](C[C@@H]1CCCN1C(=O)CN1CCCC1)[C@H]1CCc2ccccc21 ZINC000961027891 1298025911 /nfs/dbraw/zinc/02/59/11/1298025911.db2.gz LQXZGZCLJQJONZ-ICSRJNTNSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030361 1298033079 /nfs/dbraw/zinc/03/30/79/1298033079.db2.gz VIWGJRXULNVVCY-GOSISDBHSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961030361 1298033085 /nfs/dbraw/zinc/03/30/85/1298033085.db2.gz VIWGJRXULNVVCY-GOSISDBHSA-N 1 3 349.906 2.859 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000961032930 1298039448 /nfs/dbraw/zinc/03/94/48/1298039448.db2.gz XCZDZVGANYDVPQ-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000961032930 1298039455 /nfs/dbraw/zinc/03/94/55/1298039455.db2.gz XCZDZVGANYDVPQ-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033960 1298041174 /nfs/dbraw/zinc/04/11/74/1298041174.db2.gz KRTQCEXOONSJGU-IEBWSBKVSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961033960 1298041193 /nfs/dbraw/zinc/04/11/93/1298041193.db2.gz KRTQCEXOONSJGU-IEBWSBKVSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000948775680 1298062412 /nfs/dbraw/zinc/06/24/12/1298062412.db2.gz OHOSGRCJUSDUBN-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000948775680 1298062421 /nfs/dbraw/zinc/06/24/21/1298062421.db2.gz OHOSGRCJUSDUBN-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO Fc1cc(-c2ncnc3c2CCNC3)ccc1C[NH+]1CCCCC1 ZINC001236231977 1313458307 /nfs/dbraw/zinc/45/83/07/1313458307.db2.gz GBPQGXTXKUJLAP-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO Fc1cc(-c2cc3c(nn2)CC[NH2+]C3)ccc1CN1CCCCC1 ZINC001236233099 1313458371 /nfs/dbraw/zinc/45/83/71/1313458371.db2.gz PQTOUPXCDFTKAH-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001017657816 1313459192 /nfs/dbraw/zinc/45/91/92/1313459192.db2.gz STLJNJIKMYPZJN-YHFFBGSDSA-N 1 3 345.531 2.584 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268901 1314466853 /nfs/dbraw/zinc/46/68/53/1314466853.db2.gz LSHJPONCCUXKSK-MSOLQXFVSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2C(C)C)CC[N@@H+]1C ZINC000948920006 1298088458 /nfs/dbraw/zinc/08/84/58/1298088458.db2.gz VQFGRTVVNWLXSU-XUVXKRRUSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2c3ccccc3CCN2C(C)C)CC[N@H+]1C ZINC000948920006 1298088470 /nfs/dbraw/zinc/08/84/70/1298088470.db2.gz VQFGRTVVNWLXSU-XUVXKRRUSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308627 1313467618 /nfs/dbraw/zinc/46/76/18/1313467618.db2.gz UXKPQQMXUQBQJY-RDJZCZTQSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@H]1CNCC(F)(F)[C@H]1CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308627 1313467619 /nfs/dbraw/zinc/46/76/19/1313467619.db2.gz UXKPQQMXUQBQJY-RDJZCZTQSA-N 1 3 325.447 2.541 20 0 EFADHO Cc1cc(Br)c(CN2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1O ZINC001236320074 1313468529 /nfs/dbraw/zinc/46/85/29/1313468529.db2.gz AYTQEQXDWLNLMF-BETUJISGSA-N 1 3 339.277 2.895 20 0 EFADHO CC(=O)OC[C@@H]1CCC2(C1)CCN(CC[C@H]1COC(C)(C)[NH2+]1)CC2 ZINC001236321914 1313468965 /nfs/dbraw/zinc/46/89/65/1313468965.db2.gz HOXRWPHZGBVRJR-SJORKVTESA-N 1 3 338.492 2.546 20 0 EFADHO CC(C)N1CCN(c2ccc(-c3cccc4c3CC[NH2+]C4)cn2)CC1 ZINC001236349069 1313473157 /nfs/dbraw/zinc/47/31/57/1313473157.db2.gz ROKARRQDAGHHKR-UHFFFAOYSA-N 1 3 336.483 2.925 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049913091 1313474594 /nfs/dbraw/zinc/47/45/94/1313474594.db2.gz ALFNLJUEDZPTMP-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)N1CCCCC1 ZINC001049913091 1313474596 /nfs/dbraw/zinc/47/45/96/1313474596.db2.gz ALFNLJUEDZPTMP-IPMKNSEASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049913259 1313475028 /nfs/dbraw/zinc/47/50/28/1313475028.db2.gz CUUAQNBUUCRCPW-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049913259 1313475030 /nfs/dbraw/zinc/47/50/30/1313475030.db2.gz CUUAQNBUUCRCPW-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO COC(=O)c1ccc(C2CN(Cc3ccc4c(c3)CC[NH2+]C4)C2)cc1 ZINC001236412444 1313477703 /nfs/dbraw/zinc/47/77/03/1313477703.db2.gz UTMMTSZKPODRIU-UHFFFAOYSA-N 1 3 336.435 2.718 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017705604 1313485233 /nfs/dbraw/zinc/48/52/33/1313485233.db2.gz BOGQAZVEPUMRHJ-CALCHBBNSA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001206641865 1313487459 /nfs/dbraw/zinc/48/74/59/1313487459.db2.gz GXEPWBLAUJPPKW-FLIBITNWSA-N 1 3 343.515 2.870 20 0 EFADHO COc1ccc(CN(Cc2ncccc2N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544510 1313490908 /nfs/dbraw/zinc/49/09/08/1313490908.db2.gz QUZHANOEDYBUIJ-QAQDUYKDSA-N 1 3 340.471 2.945 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230031 1298373763 /nfs/dbraw/zinc/37/37/63/1298373763.db2.gz KFIQIHUSLZAWCA-IAGOWNOFSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230031 1298373773 /nfs/dbraw/zinc/37/37/73/1298373773.db2.gz KFIQIHUSLZAWCA-IAGOWNOFSA-N 1 3 346.519 2.949 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245994 1298410235 /nfs/dbraw/zinc/41/02/35/1298410235.db2.gz DFXZKDOCYWXJDZ-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245994 1298410237 /nfs/dbraw/zinc/41/02/37/1298410237.db2.gz DFXZKDOCYWXJDZ-RTBURBONSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1cccnc1O[C@H]1CCN(Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC001236666186 1313505759 /nfs/dbraw/zinc/50/57/59/1313505759.db2.gz YGASYXWHDXGOHT-HNNXBMFYSA-N 1 3 329.469 2.751 20 0 EFADHO Cc1cccnc1O[C@@H]1CCN(Cc2cc3c(s2)C[NH2+]CC3)C1 ZINC001236666257 1313506246 /nfs/dbraw/zinc/50/62/46/1313506246.db2.gz YWSDBZRVKNDBJA-OAHLLOKOSA-N 1 3 329.469 2.751 20 0 EFADHO C[C@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096603829 1313508096 /nfs/dbraw/zinc/50/80/96/1313508096.db2.gz BWXOFVOLCRFURY-VLQPXKRTSA-N 1 3 347.478 2.831 20 0 EFADHO C[C@H](F)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096603829 1313508103 /nfs/dbraw/zinc/50/81/03/1313508103.db2.gz BWXOFVOLCRFURY-VLQPXKRTSA-N 1 3 347.478 2.831 20 0 EFADHO CCN(CCN1CCC2(CC[N@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276492310 1313508237 /nfs/dbraw/zinc/50/82/37/1313508237.db2.gz SWHLNWVZMYBHIM-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO CCN(CCN1CCC2(CC[N@@H+](C)C2)CC1)C(=O)OC(C)(C)C ZINC001276492310 1313508240 /nfs/dbraw/zinc/50/82/40/1313508240.db2.gz SWHLNWVZMYBHIM-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604735 1313508811 /nfs/dbraw/zinc/50/88/11/1313508811.db2.gz OERWQMXWZBJHII-QYZOEREBSA-N 1 3 329.488 2.883 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(CN(C)C)c1)C2 ZINC001096604735 1313508814 /nfs/dbraw/zinc/50/88/14/1313508814.db2.gz OERWQMXWZBJHII-QYZOEREBSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001211286846 1314469422 /nfs/dbraw/zinc/46/94/22/1314469422.db2.gz YBXKYTYROVILDE-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961338014 1298575260 /nfs/dbraw/zinc/57/52/60/1298575260.db2.gz DATUKDZIMHLYPG-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961338014 1298575267 /nfs/dbraw/zinc/57/52/67/1298575267.db2.gz DATUKDZIMHLYPG-WOJBJXKFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339647 1298579940 /nfs/dbraw/zinc/57/99/40/1298579940.db2.gz ISFUBKOENHGAJL-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000961339647 1298579944 /nfs/dbraw/zinc/57/99/44/1298579944.db2.gz ISFUBKOENHGAJL-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961377588 1298650263 /nfs/dbraw/zinc/65/02/63/1298650263.db2.gz XQKKTWPTYAEBIY-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961377588 1298650269 /nfs/dbraw/zinc/65/02/69/1298650269.db2.gz XQKKTWPTYAEBIY-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000961406968 1298700736 /nfs/dbraw/zinc/70/07/36/1298700736.db2.gz UCZVPJIHDSYAMR-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000961406968 1298700744 /nfs/dbraw/zinc/70/07/44/1298700744.db2.gz UCZVPJIHDSYAMR-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411431 1298707936 /nfs/dbraw/zinc/70/79/36/1298707936.db2.gz NKDKOYSNDOQSMI-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961411431 1298707941 /nfs/dbraw/zinc/70/79/41/1298707941.db2.gz NKDKOYSNDOQSMI-IEBWSBKVSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001206890223 1313540610 /nfs/dbraw/zinc/54/06/10/1313540610.db2.gz HCQHTPBBYAUHGP-QRVBRYPASA-N 1 3 335.536 2.593 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001206890300 1313540952 /nfs/dbraw/zinc/54/09/52/1313540952.db2.gz KTDOSHMIPAZIPX-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(Cc1ccc2[nH]c(C(=O)OC)cc2c1)C[C@@H]1CC[NH2+]C1 ZINC001236842653 1313541338 /nfs/dbraw/zinc/54/13/38/1313541338.db2.gz GVOVQWFHNWVPBT-OAHLLOKOSA-N 1 3 329.444 2.776 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cccnc1C ZINC001490309229 1298752457 /nfs/dbraw/zinc/75/24/57/1298752457.db2.gz ILEMHRLEQPZLPZ-PKOBYXMFSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961456882 1298764174 /nfs/dbraw/zinc/76/41/74/1298764174.db2.gz HTZBUCBNLCOVRM-GDAAHCPNSA-N 1 3 341.499 2.668 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC000961456882 1298764180 /nfs/dbraw/zinc/76/41/80/1298764180.db2.gz HTZBUCBNLCOVRM-GDAAHCPNSA-N 1 3 341.499 2.668 20 0 EFADHO CC(C)[N@H+](Cc1cccc(N2CCN(C)CC2)c1)C1CCN(C)CC1 ZINC001236895958 1313548283 /nfs/dbraw/zinc/54/82/83/1313548283.db2.gz PYLVDSIPLCFEDP-UHFFFAOYSA-N 1 3 344.547 2.743 20 0 EFADHO CC(C)[N@@H+](Cc1cccc(N2CCN(C)CC2)c1)C1CCN(C)CC1 ZINC001236895958 1313548286 /nfs/dbraw/zinc/54/82/86/1313548286.db2.gz PYLVDSIPLCFEDP-UHFFFAOYSA-N 1 3 344.547 2.743 20 0 EFADHO CC[C@@H](C(N)=O)N1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001278029119 1313554803 /nfs/dbraw/zinc/55/48/03/1313554803.db2.gz PPPCOAPRBWSETO-AWEZNQCLSA-N 1 3 349.441 2.771 20 0 EFADHO CC[C@@H](C(N)=O)N1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001278029119 1313554807 /nfs/dbraw/zinc/55/48/07/1313554807.db2.gz PPPCOAPRBWSETO-AWEZNQCLSA-N 1 3 349.441 2.771 20 0 EFADHO C[NH+](C)CCN(Cc1c(Cl)cc([O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236934342 1313557151 /nfs/dbraw/zinc/55/71/51/1313557151.db2.gz VVUAWBCSLQRBAZ-GFCCVEGCSA-N 1 3 346.302 2.815 20 0 EFADHO CC(C)(C)OC(=O)NCCN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236949469 1313559809 /nfs/dbraw/zinc/55/98/09/1313559809.db2.gz VQVXHVSNTJBSSK-UHFFFAOYSA-N 1 3 325.497 2.613 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001236975185 1313563808 /nfs/dbraw/zinc/56/38/08/1313563808.db2.gz HKQPPOXREVSNEJ-DLBZAZTESA-N 1 3 341.421 2.735 20 0 EFADHO FC(F)(F)[C@H]1CNCCN1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001236975185 1313563812 /nfs/dbraw/zinc/56/38/12/1313563812.db2.gz HKQPPOXREVSNEJ-DLBZAZTESA-N 1 3 341.421 2.735 20 0 EFADHO CC(C)C[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206948815 1313566698 /nfs/dbraw/zinc/56/66/98/1313566698.db2.gz CGUGEBGGOXEDLZ-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001206949095 1313567122 /nfs/dbraw/zinc/56/71/22/1313567122.db2.gz PVVITFJVDRRDFV-LJQANCHMSA-N 1 3 349.494 2.938 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)c1 ZINC001206954289 1313569920 /nfs/dbraw/zinc/56/99/20/1313569920.db2.gz BZXLFCRDEPFOHE-UHFFFAOYSA-N 1 3 349.494 2.803 20 0 EFADHO CCn1ccnc1CN1CCC[C@@]2(CCCN(CCC[NH+](C)C)C2)C1 ZINC001278048735 1313582181 /nfs/dbraw/zinc/58/21/81/1313582181.db2.gz BIVGBXULQBOXEY-HXUWFJFHSA-N 1 3 347.551 2.533 20 0 EFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CCC[NH+](C)C ZINC001278049938 1313583699 /nfs/dbraw/zinc/58/36/99/1313583699.db2.gz WLJVCYRQVFOBNO-GBESFXJTSA-N 1 3 325.541 2.540 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1F ZINC001490668570 1299065849 /nfs/dbraw/zinc/06/58/49/1299065849.db2.gz QIOBYTFXKXFUBI-GOSISDBHSA-N 1 3 347.478 2.603 20 0 EFADHO O=c1[nH]cccc1C[NH+]1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC001207004263 1313586664 /nfs/dbraw/zinc/58/66/64/1313586664.db2.gz YFUMJLJZQKERKL-UHFFFAOYSA-N 1 3 338.455 2.670 20 0 EFADHO CC1CC(C[NH2+][C@H](CNC(=O)C(C)(C)N2CCCCC2)C2CC2)C1 ZINC001490664504 1299108598 /nfs/dbraw/zinc/10/85/98/1299108598.db2.gz LGKZAENUSQFHRM-LEOMRAHMSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC000961828306 1299144339 /nfs/dbraw/zinc/14/43/39/1299144339.db2.gz ICRICMXBNBDITP-MHJFOBGBSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)(C(=O)NC1CC(C[NH2+]CC2CCCC2)C1)N1CCCCC1 ZINC000961836655 1299150655 /nfs/dbraw/zinc/15/06/55/1299150655.db2.gz ADPBMXBLXZZXJZ-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C2CC2)c1 ZINC001490740756 1299177496 /nfs/dbraw/zinc/17/74/96/1299177496.db2.gz FXPPZWBDGDWPQK-INDRUJQFSA-N 1 3 335.879 2.599 20 0 EFADHO c1c[nH]c(CN2CCC[C@@]3(CCC[N@@H+](CCN4CCCC4)C3)C2)c1 ZINC001278060403 1313597462 /nfs/dbraw/zinc/59/74/62/1313597462.db2.gz RRGUUYNWSSIBFA-HXUWFJFHSA-N 1 3 330.520 2.789 20 0 EFADHO c1c[nH]c(CN2CCC[C@@]3(CCC[N@H+](CCN4CCCC4)C3)C2)c1 ZINC001278060403 1313597466 /nfs/dbraw/zinc/59/74/66/1313597466.db2.gz RRGUUYNWSSIBFA-HXUWFJFHSA-N 1 3 330.520 2.789 20 0 EFADHO CC(=O)N1CCC(CN2CCC[C@]3(CC[N@@H+](C4CCCC4)C3)C2)CC1 ZINC001276504446 1313599099 /nfs/dbraw/zinc/59/90/99/1313599099.db2.gz GNXQNSJIJFGSDI-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CC(=O)N1CCC(CN2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)CC1 ZINC001276504446 1313599101 /nfs/dbraw/zinc/59/91/01/1313599101.db2.gz GNXQNSJIJFGSDI-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO C[N@@H+]1CCCC2(CCN(CCCn3c4ccccc4[nH]c3=O)CC2)C1 ZINC001278064293 1313601113 /nfs/dbraw/zinc/60/11/13/1313601113.db2.gz HIJLMUCHXUZHQW-UHFFFAOYSA-N 1 3 342.487 2.940 20 0 EFADHO C[N@H+]1CCCC2(CCN(CCCn3c4ccccc4[nH]c3=O)CC2)C1 ZINC001278064293 1313601116 /nfs/dbraw/zinc/60/11/16/1313601116.db2.gz HIJLMUCHXUZHQW-UHFFFAOYSA-N 1 3 342.487 2.940 20 0 EFADHO CN(C/C=C/Cl)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490774548 1299234931 /nfs/dbraw/zinc/23/49/31/1299234931.db2.gz IYYBBDCWSPQNST-IOMDMTNGSA-N 1 3 341.927 2.641 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000961943278 1299260764 /nfs/dbraw/zinc/26/07/64/1299260764.db2.gz GKXCBCTWQVUBMD-ZSYWTGECSA-N 1 3 347.547 2.732 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC000961943278 1299260776 /nfs/dbraw/zinc/26/07/76/1299260776.db2.gz GKXCBCTWQVUBMD-ZSYWTGECSA-N 1 3 347.547 2.732 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957215 1299272918 /nfs/dbraw/zinc/27/29/18/1299272918.db2.gz KTAMIXDCBCOYCK-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21)N1CCCCCC1 ZINC000961957215 1299272929 /nfs/dbraw/zinc/27/29/29/1299272929.db2.gz KTAMIXDCBCOYCK-LMCOJAPRSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+](C)CCCOc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237222111 1313608590 /nfs/dbraw/zinc/60/85/90/1313608590.db2.gz ZNZKMVQSJZMSQK-FQEVSTJZSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)c1ccccn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000851913368 1299463843 /nfs/dbraw/zinc/46/38/43/1299463843.db2.gz WFJLKNDJLMJZAC-QRFRQXIXSA-N 1 3 325.456 2.615 20 0 EFADHO COC(=O)c1cc2cc(C[NH+]3CCC(N4CCC4)CC3)ccc2[nH]1 ZINC001237315189 1313625250 /nfs/dbraw/zinc/62/52/50/1313625250.db2.gz YPKYIQKNMYDCGG-UHFFFAOYSA-N 1 3 327.428 2.625 20 0 EFADHO CCc1cccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000962304631 1299562893 /nfs/dbraw/zinc/56/28/93/1299562893.db2.gz ADWRURKXPZRWSN-DZIBYMRMSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962306708 1299568923 /nfs/dbraw/zinc/56/89/23/1299568923.db2.gz QRFNFHZJUMQIQW-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC000962307784 1299570187 /nfs/dbraw/zinc/57/01/87/1299570187.db2.gz VLEFFDQKXHFFBD-VNCLNFNDSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000962308582 1299570207 /nfs/dbraw/zinc/57/02/07/1299570207.db2.gz ITGVGDRZZSZDME-PPDQVPDSSA-N 1 3 343.515 2.630 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]Cc3cccc(F)c3)C2)C1 ZINC000962309240 1299571267 /nfs/dbraw/zinc/57/12/67/1299571267.db2.gz MLUAUFMADPOKBJ-UHFFFAOYSA-N 1 3 347.478 2.542 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2c(C)cccc2Cl)CCC12C[NH2+]C2 ZINC001237430222 1313642815 /nfs/dbraw/zinc/64/28/15/1313642815.db2.gz KSYGRNDMUWANHR-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2cc(Cl)ccc2C)CCC12C[NH2+]C2 ZINC001237430509 1313643141 /nfs/dbraw/zinc/64/31/41/1313643141.db2.gz KVQMYCOVDAVTDX-INIZCTEOSA-N 1 3 336.863 2.623 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(F)c2cccnc12 ZINC001237432855 1313643884 /nfs/dbraw/zinc/64/38/84/1313643884.db2.gz WSLCPUDYPGPYND-UHFFFAOYSA-N 1 3 347.434 2.691 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(F)c2cccnc12 ZINC001237432855 1313643885 /nfs/dbraw/zinc/64/38/85/1313643885.db2.gz WSLCPUDYPGPYND-UHFFFAOYSA-N 1 3 347.434 2.691 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1C ZINC001207263176 1313648191 /nfs/dbraw/zinc/64/81/91/1313648191.db2.gz OMQMKWJRUAFVQT-NZSAHSFTSA-N 1 3 349.494 2.611 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1C ZINC001207263176 1313648192 /nfs/dbraw/zinc/64/81/92/1313648192.db2.gz OMQMKWJRUAFVQT-NZSAHSFTSA-N 1 3 349.494 2.611 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018027596 1313648537 /nfs/dbraw/zinc/64/85/37/1313648537.db2.gz XINGYECVEGMFSS-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018027596 1313648540 /nfs/dbraw/zinc/64/85/40/1313648540.db2.gz XINGYECVEGMFSS-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001207282862 1313651865 /nfs/dbraw/zinc/65/18/65/1313651865.db2.gz WWJUCYHOMBZLDW-UHFFFAOYSA-N 1 3 328.460 2.725 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001207282862 1313651870 /nfs/dbraw/zinc/65/18/70/1313651870.db2.gz WWJUCYHOMBZLDW-UHFFFAOYSA-N 1 3 328.460 2.725 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 ZINC001207281867 1313650608 /nfs/dbraw/zinc/65/06/08/1313650608.db2.gz IRKLQJFCOMTLKK-HXUWFJFHSA-N 1 3 347.478 2.842 20 0 EFADHO Cc1ccc(O[C@@H]2C[C@H]3CN(CC(C)(C)C[NH+](C)C)CCN3C2)cc1 ZINC001207282996 1313651956 /nfs/dbraw/zinc/65/19/56/1313651956.db2.gz ZYXTYFYYMHXWQU-AZUAARDMSA-N 1 3 345.531 2.720 20 0 EFADHO Cc1ccc2nc(C3CC[NH+](CC(C)(C)CN(C)C)CC3)nn2c1 ZINC001207282189 1313652026 /nfs/dbraw/zinc/65/20/26/1313652026.db2.gz NTSDFMHEWUJKET-UHFFFAOYSA-N 1 3 329.492 2.805 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC(C[NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000962603944 1299863394 /nfs/dbraw/zinc/86/33/94/1299863394.db2.gz WPSNMOJWQRWMJV-NXVRBGIVSA-N 1 3 340.471 2.815 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001207283622 1313652260 /nfs/dbraw/zinc/65/22/60/1313652260.db2.gz BEZIMIATUNQCCO-OAHLLOKOSA-N 1 3 327.513 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001207283622 1313652263 /nfs/dbraw/zinc/65/22/63/1313652263.db2.gz BEZIMIATUNQCCO-OAHLLOKOSA-N 1 3 327.513 2.906 20 0 EFADHO COC1C[C@@H]2COC[C@H](C1)N2CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207290735 1313653802 /nfs/dbraw/zinc/65/38/02/1313653802.db2.gz FLIVYYGYMKZWCL-WCRBZPEASA-N 1 3 344.499 2.777 20 0 EFADHO O[C@H](CNC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097653 1300005462 /nfs/dbraw/zinc/00/54/62/1300005462.db2.gz GSQVJEHMOBDCOY-CRAIPNDOSA-N 1 3 331.485 2.678 20 0 EFADHO O[C@H](CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccn1 ZINC000853097653 1300005472 /nfs/dbraw/zinc/00/54/72/1300005472.db2.gz GSQVJEHMOBDCOY-CRAIPNDOSA-N 1 3 331.485 2.678 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001207398863 1313675620 /nfs/dbraw/zinc/67/56/20/1313675620.db2.gz RQKUISRQHCFZFW-GASCZTMLSA-N 1 3 325.497 2.658 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963158378 1300379491 /nfs/dbraw/zinc/37/94/91/1300379491.db2.gz XDUKJKLRPHHXBR-CTWPCTMYSA-N 1 3 329.488 2.640 20 0 EFADHO CC[C@@H](C)CN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278133685 1313694109 /nfs/dbraw/zinc/69/41/09/1313694109.db2.gz DIIXHADQGZTWQU-QGZVFWFLSA-N 1 3 333.520 2.607 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110684734 1300547119 /nfs/dbraw/zinc/54/71/19/1300547119.db2.gz WNDPKELSNVGXEV-WTGUMLROSA-N 1 3 341.499 2.783 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001110684734 1300547133 /nfs/dbraw/zinc/54/71/33/1300547133.db2.gz WNDPKELSNVGXEV-WTGUMLROSA-N 1 3 341.499 2.783 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCCC1)C1CCC([NH2+]CCF)CC1 ZINC000963327179 1300608179 /nfs/dbraw/zinc/60/81/79/1300608179.db2.gz SSYDTRGNCLVTFG-UHFFFAOYSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359702 1300682928 /nfs/dbraw/zinc/68/29/28/1300682928.db2.gz ICWCMKOWGFLMLO-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359702 1300682935 /nfs/dbraw/zinc/68/29/35/1300682935.db2.gz ICWCMKOWGFLMLO-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001207551254 1313714170 /nfs/dbraw/zinc/71/41/70/1313714170.db2.gz YSKUMIBIDYBXGB-YSGRDPCXSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC001207551254 1313714172 /nfs/dbraw/zinc/71/41/72/1313714172.db2.gz YSKUMIBIDYBXGB-YSGRDPCXSA-N 1 3 343.515 2.526 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885152 1300804966 /nfs/dbraw/zinc/80/49/66/1300804966.db2.gz ONMISJBCCHSIGZ-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885152 1300804982 /nfs/dbraw/zinc/80/49/82/1300804982.db2.gz ONMISJBCCHSIGZ-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO Cc1ncsc1CN1CC2(C1)CCC[N@H+](CCN1CCCCC1)C2 ZINC001278154734 1313720282 /nfs/dbraw/zinc/72/02/82/1313720282.db2.gz VTYHWIBATKGFNK-UHFFFAOYSA-N 1 3 348.560 2.835 20 0 EFADHO Cc1ncsc1CN1CC2(C1)CCC[N@@H+](CCN1CCCCC1)C2 ZINC001278154734 1313720286 /nfs/dbraw/zinc/72/02/86/1313720286.db2.gz VTYHWIBATKGFNK-UHFFFAOYSA-N 1 3 348.560 2.835 20 0 EFADHO c1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](CCN2CCCCC2)C3)c1 ZINC001278154940 1313721146 /nfs/dbraw/zinc/72/11/46/1313721146.db2.gz YYHALXYQNOBWAY-HXUWFJFHSA-N 1 3 330.520 2.789 20 0 EFADHO c1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](CCN2CCCCC2)C3)c1 ZINC001278154940 1313721148 /nfs/dbraw/zinc/72/11/48/1313721148.db2.gz YYHALXYQNOBWAY-HXUWFJFHSA-N 1 3 330.520 2.789 20 0 EFADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207641399 1313737783 /nfs/dbraw/zinc/73/77/83/1313737783.db2.gz KYYBQHQPLHKHKQ-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001207641399 1313737784 /nfs/dbraw/zinc/73/77/84/1313737784.db2.gz KYYBQHQPLHKHKQ-AHRSYUTCSA-N 1 3 345.531 2.772 20 0 EFADHO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001096886291 1313739865 /nfs/dbraw/zinc/73/98/65/1313739865.db2.gz IOOAUESMJGVTAL-FHPSTREXSA-N 1 3 339.483 2.516 20 0 EFADHO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C/C=C\c1ccccc1 ZINC001096886291 1313739868 /nfs/dbraw/zinc/73/98/68/1313739868.db2.gz IOOAUESMJGVTAL-FHPSTREXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\c1ccccc1 ZINC001096886291 1313739872 /nfs/dbraw/zinc/73/98/72/1313739872.db2.gz IOOAUESMJGVTAL-FHPSTREXSA-N 1 3 339.483 2.516 20 0 EFADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\c1ccccc1 ZINC001096886291 1313739875 /nfs/dbraw/zinc/73/98/75/1313739875.db2.gz IOOAUESMJGVTAL-FHPSTREXSA-N 1 3 339.483 2.516 20 0 EFADHO Cc1ccc2c(CN3CC4(C3)CC[N@@H+](CCN(C)C)C4)cccc2n1 ZINC001278174001 1313742284 /nfs/dbraw/zinc/74/22/84/1313742284.db2.gz VKFKUTUGVDQQBC-UHFFFAOYSA-N 1 3 338.499 2.613 20 0 EFADHO Cc1ccc2c(CN3CC4(C3)CC[N@H+](CCN(C)C)C4)cccc2n1 ZINC001278174001 1313742286 /nfs/dbraw/zinc/74/22/86/1313742286.db2.gz VKFKUTUGVDQQBC-UHFFFAOYSA-N 1 3 338.499 2.613 20 0 EFADHO C[C@@H](CCCC(C)(C)O)CCN1CCN(CC[NH+]2CCCC2)CC1 ZINC001207678310 1313747651 /nfs/dbraw/zinc/74/76/51/1313747651.db2.gz JKRVGXCKSLBGFF-IBGZPJMESA-N 1 3 339.568 2.667 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001202495248 1301229564 /nfs/dbraw/zinc/22/95/64/1301229564.db2.gz ATNBUJNAIWGDFH-PRCIHIDRSA-N 1 3 341.499 2.765 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001202495236 1301229631 /nfs/dbraw/zinc/22/96/31/1301229631.db2.gz ALKCMAQYZHKDPL-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001017265406 1301320555 /nfs/dbraw/zinc/32/05/55/1301320555.db2.gz AMCKXYAVKGNFPD-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017265406 1301320568 /nfs/dbraw/zinc/32/05/68/1301320568.db2.gz AMCKXYAVKGNFPD-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017265408 1301321338 /nfs/dbraw/zinc/32/13/38/1301321338.db2.gz AMCKXYAVKGNFPD-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017265408 1301321348 /nfs/dbraw/zinc/32/13/48/1301321348.db2.gz AMCKXYAVKGNFPD-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H]1C ZINC001207749862 1313764563 /nfs/dbraw/zinc/76/45/63/1313764563.db2.gz DXXGNGBPJYLMKS-IEBWSBKVSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C ZINC001207749862 1313764564 /nfs/dbraw/zinc/76/45/64/1313764564.db2.gz DXXGNGBPJYLMKS-IEBWSBKVSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207757656 1313765656 /nfs/dbraw/zinc/76/56/56/1313765656.db2.gz ITCBQAXEIZLNRU-IEBWSBKVSA-N 1 3 345.531 2.704 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCc2ccc(C)cc2)C[C@H]1C ZINC001207757656 1313765659 /nfs/dbraw/zinc/76/56/59/1313765659.db2.gz ITCBQAXEIZLNRU-IEBWSBKVSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CCCC3)CC2)C1 ZINC000963902836 1301454039 /nfs/dbraw/zinc/45/40/39/1301454039.db2.gz ROGWCYNKZFAHEQ-IPJUCJBFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001238168329 1313775440 /nfs/dbraw/zinc/77/54/40/1313775440.db2.gz HBUHIUDATAOEAC-UHFFFAOYSA-N 1 3 326.444 2.866 20 0 EFADHO Cc1ncncc1CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001238168329 1313775442 /nfs/dbraw/zinc/77/54/42/1313775442.db2.gz HBUHIUDATAOEAC-UHFFFAOYSA-N 1 3 326.444 2.866 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207794724 1313776065 /nfs/dbraw/zinc/77/60/65/1313776065.db2.gz DNRDDPHETDSNKV-KZNAEPCWSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001207794724 1313776069 /nfs/dbraw/zinc/77/60/69/1313776069.db2.gz DNRDDPHETDSNKV-KZNAEPCWSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)CC[NH2+]C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502011 1301625527 /nfs/dbraw/zinc/62/55/27/1301625527.db2.gz AGASUTMNJGEWKI-IBGZPJMESA-N 1 3 341.515 2.826 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000964437962 1301835128 /nfs/dbraw/zinc/83/51/28/1301835128.db2.gz QKHQPYLPLVTERO-UHFFFAOYSA-N 1 3 335.467 2.691 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@H]1C ZINC001018303027 1313802012 /nfs/dbraw/zinc/80/20/12/1313802012.db2.gz UZHOOYAOLIHCBT-RWQQGDIJSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@H]1C ZINC001018303027 1313802017 /nfs/dbraw/zinc/80/20/17/1313802017.db2.gz UZHOOYAOLIHCBT-RWQQGDIJSA-N 1 3 335.536 2.971 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+]2CCCCC2)C1 ZINC001018303940 1313802401 /nfs/dbraw/zinc/80/24/01/1313802401.db2.gz QWFIRZQNEOHGEC-YHFFBGSDSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1)N1CCCC1 ZINC001037057325 1302077677 /nfs/dbraw/zinc/07/76/77/1302077677.db2.gz UBTMMZXJKQUDAZ-IRXDYDNUSA-N 1 3 349.544 2.997 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001208013656 1313825061 /nfs/dbraw/zinc/82/50/61/1313825061.db2.gz IZUJKWZRENGFFP-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208048227 1313833584 /nfs/dbraw/zinc/83/35/84/1313833584.db2.gz DPKGANMXSFFYGO-HZPDHXFCSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCC(F)(F)F)C1)N1CCCCC1 ZINC001208050077 1313834784 /nfs/dbraw/zinc/83/47/84/1313834784.db2.gz UUHJZIBDGINJEF-CQSZACIVSA-N 1 3 349.441 2.784 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208074310 1313841204 /nfs/dbraw/zinc/84/12/04/1313841204.db2.gz UKFQGQAXWKLLKF-UEIJLMHFSA-N 1 3 333.520 2.654 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C1 ZINC001208074310 1313841208 /nfs/dbraw/zinc/84/12/08/1313841208.db2.gz UKFQGQAXWKLLKF-UEIJLMHFSA-N 1 3 333.520 2.654 20 0 EFADHO CC(C)=CCN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208092617 1313845487 /nfs/dbraw/zinc/84/54/87/1313845487.db2.gz SNDPIZJAZOLELL-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO C[NH+]1CCC(C)(CN2CCN(c3noc4ccccc43)CC2)CC1 ZINC001208105551 1313848266 /nfs/dbraw/zinc/84/82/66/1313848266.db2.gz XLCXOCKURUTCGJ-UHFFFAOYSA-N 1 3 328.460 2.682 20 0 EFADHO COc1ccccc1CN1CCN(CC2(C)CC[NH+](C)CC2)CC1 ZINC001208106045 1313848464 /nfs/dbraw/zinc/84/84/64/1313848464.db2.gz FCVLNNSFMRVYJQ-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO COc1cccc(CN2CCN(CC3(C)CC[NH+](C)CC3)CC2)c1 ZINC001208108508 1313848941 /nfs/dbraw/zinc/84/89/41/1313848941.db2.gz FCMSAWNNAGPKFQ-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CCOC(=O)C1CC[NH+](C2CCN(CC[C@@H](C)SC)CC2)CC1 ZINC001208145430 1313856371 /nfs/dbraw/zinc/85/63/71/1313856371.db2.gz YCJYEYBMIHYETQ-OAHLLOKOSA-N 1 3 342.549 2.868 20 0 EFADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CC[C@H](C)SC)C2 ZINC001208143149 1313856667 /nfs/dbraw/zinc/85/66/67/1313856667.db2.gz KDEHHOCCSYSFJN-JQHSSLGASA-N 1 3 326.550 2.808 20 0 EFADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CC[C@H](C)SC)C2 ZINC001208143149 1313856669 /nfs/dbraw/zinc/85/66/69/1313856669.db2.gz KDEHHOCCSYSFJN-JQHSSLGASA-N 1 3 326.550 2.808 20 0 EFADHO CN(C)CC1(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CCCC1 ZINC001208184396 1313863797 /nfs/dbraw/zinc/86/37/97/1313863797.db2.gz BSBOHEUVEYZIAU-KDURUIRLSA-N 1 3 342.531 2.567 20 0 EFADHO CN(C)CC1(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)CCCC1 ZINC001208184396 1313863800 /nfs/dbraw/zinc/86/38/00/1313863800.db2.gz BSBOHEUVEYZIAU-KDURUIRLSA-N 1 3 342.531 2.567 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCC2)C3)C1 ZINC000965035784 1302752379 /nfs/dbraw/zinc/75/23/79/1302752379.db2.gz RVFPHFQPCQKGIP-UHFFFAOYSA-N 1 3 333.520 2.535 20 0 EFADHO Cc1ccnc(O[C@@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208188629 1313865424 /nfs/dbraw/zinc/86/54/24/1313865424.db2.gz LLZHBCAFLWYJSX-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1ccnc(O[C@@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208188629 1313865428 /nfs/dbraw/zinc/86/54/28/1313865428.db2.gz LLZHBCAFLWYJSX-QGZVFWFLSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1ccnc(OC2CC[NH+](CC3(CN(C)C)CCCC3)CC2)n1 ZINC001208189853 1313865442 /nfs/dbraw/zinc/86/54/42/1313865442.db2.gz ZFQQRWSUMJRUPM-UHFFFAOYSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1ccnc(O[C@H]2CCC[N@@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208188628 1313865762 /nfs/dbraw/zinc/86/57/62/1313865762.db2.gz LLZHBCAFLWYJSX-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO Cc1ccnc(O[C@H]2CCC[N@H+](CC3(CN(C)C)CCCC3)C2)n1 ZINC001208188628 1313865765 /nfs/dbraw/zinc/86/57/65/1313865765.db2.gz LLZHBCAFLWYJSX-KRWDZBQOSA-N 1 3 332.492 2.750 20 0 EFADHO CC(C)C(=O)N1CCC[C@]12CCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208192730 1313866097 /nfs/dbraw/zinc/86/60/97/1313866097.db2.gz XXMLSSGYJFXRDC-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+](C)CC1(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CCCC1 ZINC001208191232 1313866148 /nfs/dbraw/zinc/86/61/48/1313866148.db2.gz MJRQMIIHHFSDQK-AZUAARDMSA-N 1 3 336.520 2.768 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccsc1)C2 ZINC000965063129 1302785561 /nfs/dbraw/zinc/78/55/61/1302785561.db2.gz KAJSPSFEGAWEEO-AEGNVBMISA-N 1 3 347.528 2.749 20 0 EFADHO CCC[N@H+]1C[C@H]2CN(C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224752 1313874765 /nfs/dbraw/zinc/87/47/65/1313874765.db2.gz IGDJSIVDVDOHEP-NXHRZFHOSA-N 1 3 330.472 2.868 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN(C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@H]2C1 ZINC001208224752 1313874768 /nfs/dbraw/zinc/87/47/68/1313874768.db2.gz IGDJSIVDVDOHEP-NXHRZFHOSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001208224752 1313874772 /nfs/dbraw/zinc/87/47/72/1313874772.db2.gz IGDJSIVDVDOHEP-NXHRZFHOSA-N 1 3 330.472 2.868 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C[C@H](C)Cc3ccc4c(c3)OCO4)C[C@@H]2C1 ZINC001208224752 1313874774 /nfs/dbraw/zinc/87/47/74/1313874774.db2.gz IGDJSIVDVDOHEP-NXHRZFHOSA-N 1 3 330.472 2.868 20 0 EFADHO CN(C)Cc1ccc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc1F ZINC001238827426 1313875498 /nfs/dbraw/zinc/87/54/98/1313875498.db2.gz XSSRPWKBQSPDNP-UHFFFAOYSA-N 1 3 328.435 2.701 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+]C/C=C/c3ccccc3)C2)CCC1 ZINC001208328772 1313900691 /nfs/dbraw/zinc/90/06/91/1313900691.db2.gz HUMFGMMAFRFISS-SSGOSMAHSA-N 1 3 341.499 2.765 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]C/C=C/c3ccccc3)C2)CCC1 ZINC001208328770 1313900785 /nfs/dbraw/zinc/90/07/85/1313900785.db2.gz HUMFGMMAFRFISS-NJGYHNCTSA-N 1 3 341.499 2.765 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000865437506 1303256789 /nfs/dbraw/zinc/25/67/89/1303256789.db2.gz OSZFCZSDQLUWIZ-GOSISDBHSA-N 1 3 329.488 2.744 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865437204 1303257003 /nfs/dbraw/zinc/25/70/03/1303257003.db2.gz CPTKBZPFYUIQHH-ZIAGYGMSSA-N 1 3 349.466 2.856 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+]CCCc3ccccc3)C2)CCC1 ZINC001208330814 1313901182 /nfs/dbraw/zinc/90/11/82/1313901182.db2.gz GIXWDZITANXUTM-IBGZPJMESA-N 1 3 343.515 2.684 20 0 EFADHO C[N@@H+]1CCCN(CCCNCc2c(Cl)cncc2Cl)CC1 ZINC000865450102 1303262854 /nfs/dbraw/zinc/26/28/54/1303262854.db2.gz HLAUPMAKGNOFEH-UHFFFAOYSA-N 1 3 331.291 2.506 20 0 EFADHO C[N@H+]1CCCN(CCCNCc2c(Cl)cncc2Cl)CC1 ZINC000865450102 1303262862 /nfs/dbraw/zinc/26/28/62/1303262862.db2.gz HLAUPMAKGNOFEH-UHFFFAOYSA-N 1 3 331.291 2.506 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)ccc2N(C)C)C[C@H](C)O1 ZINC000865470843 1303271491 /nfs/dbraw/zinc/27/14/91/1303271491.db2.gz HCGKEIKXNQYSHL-IYBDPMFKSA-N 1 3 337.483 2.871 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)C1CC1 ZINC001208335318 1313902779 /nfs/dbraw/zinc/90/27/79/1313902779.db2.gz RWYZQHALJYUKFW-WOJBJXKFSA-N 1 3 343.515 2.540 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C1CC1 ZINC001208335545 1313902794 /nfs/dbraw/zinc/90/27/94/1313902794.db2.gz VNQSCKIYWDUGND-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[NH+]1CCC(CCNCc2cnc(C3OCCO3)s2)CC1 ZINC000865717083 1303376306 /nfs/dbraw/zinc/37/63/06/1303376306.db2.gz NMSKOWCGPHVMMU-UHFFFAOYSA-N 1 3 339.505 2.789 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000865801347 1303406617 /nfs/dbraw/zinc/40/66/17/1303406617.db2.gz VUEYUMIVLIKBAX-WOJBJXKFSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1cccc(CN2CCO[C@H](CN[C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000865801347 1303406620 /nfs/dbraw/zinc/40/66/20/1303406620.db2.gz VUEYUMIVLIKBAX-WOJBJXKFSA-N 1 3 345.531 2.658 20 0 EFADHO CCc1cccc(CC)c1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239217654 1313914899 /nfs/dbraw/zinc/91/48/99/1313914899.db2.gz TYYIHPXWPZZTDL-KRWDZBQOSA-N 1 3 344.503 2.807 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1Cl ZINC001239217850 1313914906 /nfs/dbraw/zinc/91/49/06/1313914906.db2.gz UYPBPAAUHYDLAO-AWEZNQCLSA-N 1 3 336.867 2.644 20 0 EFADHO Cc1ccc(Cl)c(NC(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001239213407 1313914039 /nfs/dbraw/zinc/91/40/39/1313914039.db2.gz BKYYIBKFDAICDM-ZDUSSCGKSA-N 1 3 336.867 2.644 20 0 EFADHO CC(C)(C)c1ccccc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213633 1313914224 /nfs/dbraw/zinc/91/42/24/1313914224.db2.gz CVLWZXVEZJUULP-HNNXBMFYSA-N 1 3 344.503 2.980 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097218982 1313914549 /nfs/dbraw/zinc/91/45/49/1313914549.db2.gz OLKHJIFQCNLVCH-MANSERQUSA-N 1 3 333.520 2.937 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097218982 1313914552 /nfs/dbraw/zinc/91/45/52/1313914552.db2.gz OLKHJIFQCNLVCH-MANSERQUSA-N 1 3 333.520 2.937 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001208411500 1313922998 /nfs/dbraw/zinc/92/29/98/1313922998.db2.gz VVBNPEFHJSFKCW-RCQSFFKASA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001208413976 1313923942 /nfs/dbraw/zinc/92/39/42/1313923942.db2.gz FFFVNMKLJLEKCM-DLBZAZTESA-N 1 3 337.533 2.602 20 0 EFADHO CN(CCC[NH3+])CCCNC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001239376149 1313930872 /nfs/dbraw/zinc/93/08/72/1313930872.db2.gz ROTDGPOATDCNHE-UHFFFAOYSA-N 1 3 349.331 2.951 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001208447582 1313931025 /nfs/dbraw/zinc/93/10/25/1313931025.db2.gz NZCINGSRSFRYRZ-OAHLLOKOSA-N 1 3 337.533 2.602 20 0 EFADHO Cc1cc(Cl)cc(Cl)c1NC(=S)NCCC[NH2+]CCCN ZINC001239396831 1313932681 /nfs/dbraw/zinc/93/26/81/1313932681.db2.gz POBDZNGUMGJLHR-UHFFFAOYSA-N 1 3 349.331 2.917 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001208454352 1313933088 /nfs/dbraw/zinc/93/30/88/1313933088.db2.gz VLVQALZSUSIUOQ-QGZVFWFLSA-N 1 3 347.503 2.506 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC001208454602 1313933152 /nfs/dbraw/zinc/93/31/52/1313933152.db2.gz YWSRZOLPHGPZKQ-MRXNPFEDSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001208453342 1313933557 /nfs/dbraw/zinc/93/35/57/1313933557.db2.gz FCUCBHIXZHMUGH-MRXNPFEDSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H](NCc2ccccc2F)C1 ZINC001208453342 1313933560 /nfs/dbraw/zinc/93/35/60/1313933560.db2.gz FCUCBHIXZHMUGH-MRXNPFEDSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]Cc1ccccc1 ZINC001037861421 1303759076 /nfs/dbraw/zinc/75/90/76/1303759076.db2.gz RIJRDTPKXBQGRY-ICSRJNTNSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114403809 1303872037 /nfs/dbraw/zinc/87/20/37/1303872037.db2.gz YHYNWMVNEIGUBF-ZSYWTGECSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114403809 1303872045 /nfs/dbraw/zinc/87/20/45/1303872045.db2.gz YHYNWMVNEIGUBF-ZSYWTGECSA-N 1 3 341.499 2.668 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001208530496 1313953777 /nfs/dbraw/zinc/95/37/77/1313953777.db2.gz YKAIZQGPWRHMLM-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001208530496 1313953781 /nfs/dbraw/zinc/95/37/81/1313953781.db2.gz YKAIZQGPWRHMLM-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+](CC)CC ZINC001208572236 1313964793 /nfs/dbraw/zinc/96/47/93/1313964793.db2.gz WTFPFPQEJYFADF-QRQLOZEOSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N(CC)CC ZINC001208574596 1313965556 /nfs/dbraw/zinc/96/55/56/1313965556.db2.gz BEFJITNPXHKBMS-ZACQAIPSSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N(CC)CC ZINC001208574596 1313965558 /nfs/dbraw/zinc/96/55/58/1313965558.db2.gz BEFJITNPXHKBMS-ZACQAIPSSA-N 1 3 325.541 2.980 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868174942 1304170123 /nfs/dbraw/zinc/17/01/23/1304170123.db2.gz RZHSHTHGTVJMCY-DLBZAZTESA-N 1 3 330.476 2.839 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@H+](Cc4cn[nH]c4)C3)CC2)[nH]1 ZINC001276570552 1313972727 /nfs/dbraw/zinc/97/27/27/1313972727.db2.gz QDHWCAJDKSLAOX-UHFFFAOYSA-N 1 3 342.491 2.628 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CCC[N@@H+](Cc4cn[nH]c4)C3)CC2)[nH]1 ZINC001276570552 1313972730 /nfs/dbraw/zinc/97/27/30/1313972730.db2.gz QDHWCAJDKSLAOX-UHFFFAOYSA-N 1 3 342.491 2.628 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607303 1313977160 /nfs/dbraw/zinc/97/71/60/1313977160.db2.gz LJCPXZSRXJFJAR-RYUDHWBXSA-N 1 3 332.370 2.610 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607303 1313977163 /nfs/dbraw/zinc/97/71/63/1313977163.db2.gz LJCPXZSRXJFJAR-RYUDHWBXSA-N 1 3 332.370 2.610 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208607314 1313977803 /nfs/dbraw/zinc/97/78/03/1313977803.db2.gz LNRJQWHGPXDKNV-MRXNPFEDSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC001208607314 1313977806 /nfs/dbraw/zinc/97/78/06/1313977806.db2.gz LNRJQWHGPXDKNV-MRXNPFEDSA-N 1 3 337.508 2.661 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C[C@@H]4CCC[N@@H+](C)C4)C3)CC2=O)s1 ZINC001208612024 1313979448 /nfs/dbraw/zinc/97/94/48/1313979448.db2.gz DSFUASHQRWTCOQ-VQIMIIECSA-N 1 3 347.528 2.827 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN(C[C@@H]4CCC[N@H+](C)C4)C3)CC2=O)s1 ZINC001208612024 1313979451 /nfs/dbraw/zinc/97/94/51/1313979451.db2.gz DSFUASHQRWTCOQ-VQIMIIECSA-N 1 3 347.528 2.827 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612696 1313979797 /nfs/dbraw/zinc/97/97/97/1313979797.db2.gz JIHZMUKKNGRVHE-LPHOPBHVSA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)C1 ZINC001208612696 1313979798 /nfs/dbraw/zinc/97/97/98/1313979798.db2.gz JIHZMUKKNGRVHE-LPHOPBHVSA-N 1 3 347.528 2.909 20 0 EFADHO CN1CCC[C@H](C[NH+]2CCC(c3noc(C(F)(F)F)n3)CC2)C1 ZINC001208613139 1313980397 /nfs/dbraw/zinc/98/03/97/1313980397.db2.gz PZYBEUYKIWNFHU-NSHDSACASA-N 1 3 332.370 2.610 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001208616677 1313981684 /nfs/dbraw/zinc/98/16/84/1313981684.db2.gz KZGQFHBZSNYYGY-MRXNPFEDSA-N 1 3 340.471 2.815 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001208616677 1313981686 /nfs/dbraw/zinc/98/16/86/1313981686.db2.gz KZGQFHBZSNYYGY-MRXNPFEDSA-N 1 3 340.471 2.815 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001018635717 1313983128 /nfs/dbraw/zinc/98/31/28/1313983128.db2.gz RJAHWPFCEKUKIN-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)C(=O)C1CC[NH+](C2CCN(CCC3CCCC3)CC2)CC1 ZINC001208694453 1313996398 /nfs/dbraw/zinc/99/63/98/1313996398.db2.gz XPXRZLQEVWRLRZ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374974 1314487011 /nfs/dbraw/zinc/48/70/11/1314487011.db2.gz UYMAOOONJWIMCJ-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO COc1ccc(F)cc1CN1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276584832 1314006015 /nfs/dbraw/zinc/00/60/15/1314006015.db2.gz FCDPIGVSAXMOEO-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO COc1ccc(F)cc1CN1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276584832 1314006017 /nfs/dbraw/zinc/00/60/17/1314006017.db2.gz FCDPIGVSAXMOEO-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO C[C@@H]1CC[N@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967205511 1304750078 /nfs/dbraw/zinc/75/00/78/1304750078.db2.gz KWTRFYPLKDAOEU-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC(C)(C)C)C[C@H]1NC(=O)C12CCCN1CCC2 ZINC000967205511 1304750086 /nfs/dbraw/zinc/75/00/86/1304750086.db2.gz KWTRFYPLKDAOEU-IAGOWNOFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208750088 1314008066 /nfs/dbraw/zinc/00/80/66/1314008066.db2.gz YGGTTWHPXMDMLX-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759907 1314010573 /nfs/dbraw/zinc/01/05/73/1314010573.db2.gz WHESIQIAVKEDDK-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759907 1314010575 /nfs/dbraw/zinc/01/05/75/1314010575.db2.gz WHESIQIAVKEDDK-SJORKVTESA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]CC1CCC1 ZINC001037930108 1304853182 /nfs/dbraw/zinc/85/31/82/1304853182.db2.gz XPKLMEWFXGSZGM-ZWKOTPCHSA-N 1 3 335.536 2.735 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC001037935139 1304972443 /nfs/dbraw/zinc/97/24/43/1304972443.db2.gz PEBTYLLCXABWDB-QAPCUYQASA-N 1 3 344.434 2.508 20 0 EFADHO [NH3+]C1CCN(c2nccc(C3=CCCN(Cc4ccccc4)C3)n2)CC1 ZINC001240386100 1314026776 /nfs/dbraw/zinc/02/67/76/1314026776.db2.gz ZXNQHPVNMQVAEL-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1[NH2+]CCC1CC1 ZINC001037949985 1305220561 /nfs/dbraw/zinc/22/05/61/1305220561.db2.gz NNVCVEDWLXOIRF-MOPGFXCFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc2[nH]c(CN3CCC4(CN(CC[NH+](C)C)C4)CC3)cc2c1 ZINC001276598366 1314044840 /nfs/dbraw/zinc/04/48/40/1314044840.db2.gz ZGNOIVMJWBOBRB-UHFFFAOYSA-N 1 3 340.515 2.936 20 0 EFADHO CC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376140 1314488522 /nfs/dbraw/zinc/48/85/22/1314488522.db2.gz HJKXZRVINRKBFX-IOIJZZRGSA-N 1 3 335.536 2.900 20 0 EFADHO CC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCC2)C1 ZINC001211376140 1314488526 /nfs/dbraw/zinc/48/85/26/1314488526.db2.gz HJKXZRVINRKBFX-IOIJZZRGSA-N 1 3 335.536 2.900 20 0 EFADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718792 1305359229 /nfs/dbraw/zinc/35/92/29/1305359229.db2.gz UWCRBOKJVYPGKS-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718792 1305359238 /nfs/dbraw/zinc/35/92/38/1305359238.db2.gz UWCRBOKJVYPGKS-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+]1CCC2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC000870507701 1305367667 /nfs/dbraw/zinc/36/76/67/1305367667.db2.gz WZONMZMVNDKQBC-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO OCC[C@@H]1CC12CCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941862 1314052736 /nfs/dbraw/zinc/05/27/36/1314052736.db2.gz NKNKUAAKFPYCCO-VQTJNVASSA-N 1 3 328.500 2.993 20 0 EFADHO OCC[C@@H]1CC12CCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941862 1314052739 /nfs/dbraw/zinc/05/27/39/1314052739.db2.gz NKNKUAAKFPYCCO-VQTJNVASSA-N 1 3 328.500 2.993 20 0 EFADHO OCC[C@H]1CC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941853 1314053089 /nfs/dbraw/zinc/05/30/89/1314053089.db2.gz NKNKUAAKFPYCCO-UXHICEINSA-N 1 3 328.500 2.993 20 0 EFADHO OCC[C@H]1CC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941853 1314053091 /nfs/dbraw/zinc/05/30/91/1314053091.db2.gz NKNKUAAKFPYCCO-UXHICEINSA-N 1 3 328.500 2.993 20 0 EFADHO O=C1CCC2(CCN(C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208946857 1314055495 /nfs/dbraw/zinc/05/54/95/1314055495.db2.gz XQAQJSIDAWMOGM-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO O=C1CCC2(CCN(C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)N1 ZINC001208946857 1314055497 /nfs/dbraw/zinc/05/54/97/1314055497.db2.gz XQAQJSIDAWMOGM-LJQANCHMSA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001042925177 1305479601 /nfs/dbraw/zinc/47/96/01/1305479601.db2.gz YFYLCKZDFNIERA-SFHVURJKSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001042925177 1305479612 /nfs/dbraw/zinc/47/96/12/1305479612.db2.gz YFYLCKZDFNIERA-SFHVURJKSA-N 1 3 335.536 2.972 20 0 EFADHO CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(C)c1 ZINC001276603988 1314058873 /nfs/dbraw/zinc/05/88/73/1314058873.db2.gz HGFFYUKXXRMMAE-KDURUIRLSA-N 1 3 331.504 2.604 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCF ZINC001037985301 1305560070 /nfs/dbraw/zinc/56/00/70/1305560070.db2.gz UWZZLSWJZWVTPV-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]CCF ZINC001037985300 1305560553 /nfs/dbraw/zinc/56/05/53/1305560553.db2.gz UWZZLSWJZWVTPV-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CCF ZINC001037985298 1305560725 /nfs/dbraw/zinc/56/07/25/1305560725.db2.gz UWZZLSWJZWVTPV-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@@H]1[NH2+]C(C)C ZINC001037981090 1305574530 /nfs/dbraw/zinc/57/45/30/1305574530.db2.gz BVTIWADQOHVZEP-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)N(C)C ZINC001202531700 1305590579 /nfs/dbraw/zinc/59/05/79/1305590579.db2.gz LNUSWVZLSSCOMN-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000967925773 1305607100 /nfs/dbraw/zinc/60/71/00/1305607100.db2.gz RJAHWPFCEKUKIN-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCN1Cc1ccccc1 ZINC000870895673 1305664615 /nfs/dbraw/zinc/66/46/15/1305664615.db2.gz GGQPPJNOENOURQ-QRQLOZEOSA-N 1 3 329.488 2.627 20 0 EFADHO CCOC(=O)CC[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC001209033059 1314075015 /nfs/dbraw/zinc/07/50/15/1314075015.db2.gz HSDVENCBOAJIKX-QGZVFWFLSA-N 1 3 334.460 2.909 20 0 EFADHO CCOC(=O)CC[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC001209033057 1314075440 /nfs/dbraw/zinc/07/54/40/1314075440.db2.gz HSDVENCBOAJIKX-KRWDZBQOSA-N 1 3 334.460 2.909 20 0 EFADHO CCOC(=O)CC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209037061 1314075878 /nfs/dbraw/zinc/07/58/78/1314075878.db2.gz WWPQTCROZYBKBZ-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209037061 1314075882 /nfs/dbraw/zinc/07/58/82/1314075882.db2.gz WWPQTCROZYBKBZ-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209037060 1314076287 /nfs/dbraw/zinc/07/62/87/1314076287.db2.gz WWPQTCROZYBKBZ-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209037060 1314076291 /nfs/dbraw/zinc/07/62/91/1314076291.db2.gz WWPQTCROZYBKBZ-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO Cc1cccc(CN2CC[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000968155036 1305922656 /nfs/dbraw/zinc/92/26/56/1305922656.db2.gz PUBFGZQOPPVNKZ-YLJYHZDGSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C)N1CCCCCC1 ZINC001209133052 1314095287 /nfs/dbraw/zinc/09/52/87/1314095287.db2.gz ARHGPHFCLMWMEC-FGTMMUONSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C)N1CCCCCC1 ZINC001209133052 1314095289 /nfs/dbraw/zinc/09/52/89/1314095289.db2.gz ARHGPHFCLMWMEC-FGTMMUONSA-N 1 3 341.515 2.827 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143065 1305987077 /nfs/dbraw/zinc/98/70/77/1305987077.db2.gz ROQNRIRUFQRQEZ-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143065 1305987086 /nfs/dbraw/zinc/98/70/86/1305987086.db2.gz ROQNRIRUFQRQEZ-PKOBYXMFSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001017143256 1306005378 /nfs/dbraw/zinc/00/53/78/1306005378.db2.gz VBKWIRBDPMKYPU-LXPRWKDFSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001017143256 1306005385 /nfs/dbraw/zinc/00/53/85/1306005385.db2.gz VBKWIRBDPMKYPU-LXPRWKDFSA-N 1 3 335.536 2.687 20 0 EFADHO CCN([C@H]1CCOC1)C1CC[NH+](CCCC(C)(C)OC(C)=O)CC1 ZINC001209152667 1314101342 /nfs/dbraw/zinc/10/13/42/1314101342.db2.gz DMFPEGYPSKHENX-SFHVURJKSA-N 1 3 340.508 2.684 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@@]2(CCCN(CCCc3ccncc3)C2)C1 ZINC001209184909 1314109335 /nfs/dbraw/zinc/10/93/35/1314109335.db2.gz NGNWUZVKLHAHKL-HXUWFJFHSA-N 1 3 331.504 2.837 20 0 EFADHO CC(C)[N@H+]1CCOC[C@@]2(CCCN(CCCc3ccncc3)C2)C1 ZINC001209184909 1314109337 /nfs/dbraw/zinc/10/93/37/1314109337.db2.gz NGNWUZVKLHAHKL-HXUWFJFHSA-N 1 3 331.504 2.837 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN(CCCc3ccncc3)C2)C1 ZINC001209184904 1314109837 /nfs/dbraw/zinc/10/98/37/1314109837.db2.gz NGNWUZVKLHAHKL-FQEVSTJZSA-N 1 3 331.504 2.837 20 0 EFADHO CC(C)[N@H+]1CCOC[C@]2(CCCN(CCCc3ccncc3)C2)C1 ZINC001209184904 1314109839 /nfs/dbraw/zinc/10/98/39/1314109839.db2.gz NGNWUZVKLHAHKL-FQEVSTJZSA-N 1 3 331.504 2.837 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001018963409 1314112632 /nfs/dbraw/zinc/11/26/32/1314112632.db2.gz NKYOKQMDRDSPDE-KRWDZBQOSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018963730 1314112955 /nfs/dbraw/zinc/11/29/55/1314112955.db2.gz WNIFUMOKEKXSPM-IRXDYDNUSA-N 1 3 329.488 2.731 20 0 EFADHO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001018966891 1314113766 /nfs/dbraw/zinc/11/37/66/1314113766.db2.gz WQGVSGZPZMZQHL-FUHWJXTLSA-N 1 3 347.528 2.846 20 0 EFADHO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001018966891 1314113770 /nfs/dbraw/zinc/11/37/70/1314113770.db2.gz WQGVSGZPZMZQHL-FUHWJXTLSA-N 1 3 347.528 2.846 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018966481 1314114074 /nfs/dbraw/zinc/11/40/74/1314114074.db2.gz JUFFCWRQXFZODT-MAUKXSAKSA-N 1 3 349.906 2.679 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001018968221 1314114578 /nfs/dbraw/zinc/11/45/78/1314114578.db2.gz YKCIPJICGKXMHP-OALUTQOASA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001018968221 1314114582 /nfs/dbraw/zinc/11/45/82/1314114582.db2.gz YKCIPJICGKXMHP-OALUTQOASA-N 1 3 347.478 2.779 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC001241446105 1314120849 /nfs/dbraw/zinc/12/08/49/1314120849.db2.gz KTTIOLTZIUFKRS-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC001241446105 1314120851 /nfs/dbraw/zinc/12/08/51/1314120851.db2.gz KTTIOLTZIUFKRS-UHFFFAOYSA-N 1 3 348.454 2.704 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017152026 1306335955 /nfs/dbraw/zinc/33/59/55/1306335955.db2.gz KHRONMNOAYKNDM-QFBILLFUSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017152026 1306335964 /nfs/dbraw/zinc/33/59/64/1306335964.db2.gz KHRONMNOAYKNDM-QFBILLFUSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001018999219 1314126592 /nfs/dbraw/zinc/12/65/92/1314126592.db2.gz KIYWRQYXIQNWGC-WBAXXEDZSA-N 1 3 335.467 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001018999048 1314126624 /nfs/dbraw/zinc/12/66/24/1314126624.db2.gz DSRBNCCZDUKXLO-MPGHIAIKSA-N 1 3 335.467 2.663 20 0 EFADHO c1ccc(CN2CC=C(c3ccc(N4CC[NH2+]CC4)cn3)CC2)cc1 ZINC001241502514 1314126863 /nfs/dbraw/zinc/12/68/63/1314126863.db2.gz ZDORUJFXKFKMKY-UHFFFAOYSA-N 1 3 334.467 2.781 20 0 EFADHO C[NH+](C)CCCN1CCN(CCCCOCc2ccccc2)CC1 ZINC001209265335 1314128162 /nfs/dbraw/zinc/12/81/62/1314128162.db2.gz QENSILORFPDWOY-UHFFFAOYSA-N 1 3 333.520 2.553 20 0 EFADHO CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114920902 1306487186 /nfs/dbraw/zinc/48/71/86/1306487186.db2.gz COXKIDXKPQHDKX-ZSYWTGECSA-N 1 3 335.536 2.876 20 0 EFADHO CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114920902 1306487189 /nfs/dbraw/zinc/48/71/89/1306487189.db2.gz COXKIDXKPQHDKX-ZSYWTGECSA-N 1 3 335.536 2.876 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921047 1306487737 /nfs/dbraw/zinc/48/77/37/1306487737.db2.gz FWVPSRKDHZXLMP-NZBMWFBVSA-N 1 3 333.520 2.652 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2C(NC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC001114921047 1306487741 /nfs/dbraw/zinc/48/77/41/1306487741.db2.gz FWVPSRKDHZXLMP-NZBMWFBVSA-N 1 3 333.520 2.652 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921060 1306487888 /nfs/dbraw/zinc/48/78/88/1306487888.db2.gz GCCMQDWCJOAJKB-INDMIFKZSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCCCCC1 ZINC001114921060 1306487893 /nfs/dbraw/zinc/48/78/93/1306487893.db2.gz GCCMQDWCJOAJKB-INDMIFKZSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1)N1CCCCC1 ZINC000968672771 1306555352 /nfs/dbraw/zinc/55/53/52/1306555352.db2.gz NEYNJSDZWXLBKI-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673776 1306556007 /nfs/dbraw/zinc/55/60/07/1306556007.db2.gz MAPGPTIVDMBYSY-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673776 1306556009 /nfs/dbraw/zinc/55/60/09/1306556009.db2.gz MAPGPTIVDMBYSY-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674304 1306557589 /nfs/dbraw/zinc/55/75/89/1306557589.db2.gz QKJLXLOALYAFMW-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674304 1306557591 /nfs/dbraw/zinc/55/75/91/1306557591.db2.gz QKJLXLOALYAFMW-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682540 1306564309 /nfs/dbraw/zinc/56/43/09/1306564309.db2.gz SCHCRGADGMTXFO-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682540 1306564312 /nfs/dbraw/zinc/56/43/12/1306564312.db2.gz SCHCRGADGMTXFO-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209324425 1314139673 /nfs/dbraw/zinc/13/96/73/1314139673.db2.gz PYNVIEFUQYTSLJ-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001209324426 1314139779 /nfs/dbraw/zinc/13/97/79/1314139779.db2.gz PYNVIEFUQYTSLJ-QGZVFWFLSA-N 1 3 335.467 2.557 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628473 1306672654 /nfs/dbraw/zinc/67/26/54/1306672654.db2.gz IFIPDSHRLAFPIJ-JKSUJKDBSA-N 1 3 349.544 2.744 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1)N(C)C ZINC001019033661 1314143439 /nfs/dbraw/zinc/14/34/39/1314143439.db2.gz YLLXPNOJHNWUMZ-JENIJYKNSA-N 1 3 331.504 2.895 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968856324 1306726961 /nfs/dbraw/zinc/72/69/61/1306726961.db2.gz HFRFNBNEWBFOPP-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968856324 1306726964 /nfs/dbraw/zinc/72/69/64/1306726964.db2.gz HFRFNBNEWBFOPP-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC000968856323 1306727161 /nfs/dbraw/zinc/72/71/61/1306727161.db2.gz HFRFNBNEWBFOPP-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC000968856323 1306727166 /nfs/dbraw/zinc/72/71/66/1306727166.db2.gz HFRFNBNEWBFOPP-IAGOWNOFSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044742912 1306766470 /nfs/dbraw/zinc/76/64/70/1306766470.db2.gz JIFHGCSQDGFGTK-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744317 1306767311 /nfs/dbraw/zinc/76/73/11/1306767311.db2.gz OGYQNKMRNVGETP-HKUYNNGSSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044750136 1306771712 /nfs/dbraw/zinc/77/17/12/1306771712.db2.gz MZQQJYUJEMXZTM-PBHICJAKSA-N 1 3 344.434 2.569 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](C)C1 ZINC001044749973 1306771845 /nfs/dbraw/zinc/77/18/45/1306771845.db2.gz MDHGJZYDJOTXFX-RHSMWYFYSA-N 1 3 344.434 2.569 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044752614 1306772857 /nfs/dbraw/zinc/77/28/57/1306772857.db2.gz YNBSWDGRBNFCQX-MAUKXSAKSA-N 1 3 340.471 2.684 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC000968903992 1306777743 /nfs/dbraw/zinc/77/77/43/1306777743.db2.gz FGHICKQWEGFJSE-MSOLQXFVSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968924358 1306801025 /nfs/dbraw/zinc/80/10/25/1306801025.db2.gz CZUZWZZIRXLEFP-QGZVFWFLSA-N 1 3 349.906 2.823 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000968924411 1306802307 /nfs/dbraw/zinc/80/23/07/1306802307.db2.gz GPYKMBOGXZMEJA-MRXNPFEDSA-N 1 3 335.879 2.515 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968924414 1306802688 /nfs/dbraw/zinc/80/26/88/1306802688.db2.gz GTCQYTQQDQGHPS-IAGOWNOFSA-N 1 3 329.488 2.731 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)C[C@@H]2C)CC1 ZINC001044791478 1306804532 /nfs/dbraw/zinc/80/45/32/1306804532.db2.gz GXMSOXQWIQVHBF-WMZOPIPTSA-N 1 3 349.544 2.949 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000968927403 1306805739 /nfs/dbraw/zinc/80/57/39/1306805739.db2.gz YZCTWHCCMWVDHM-LJQANCHMSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968928998 1306807675 /nfs/dbraw/zinc/80/76/75/1306807675.db2.gz ZIRRXJYIEPPDFS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC000968928998 1306807681 /nfs/dbraw/zinc/80/76/81/1306807681.db2.gz ZIRRXJYIEPPDFS-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001019044724 1314148536 /nfs/dbraw/zinc/14/85/36/1314148536.db2.gz YIKVYUHCESHOOU-WMZOPIPTSA-N 1 3 341.455 2.608 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC000968989559 1306866343 /nfs/dbraw/zinc/86/63/43/1306866343.db2.gz JBGSGLGRYVIWBB-QRVBRYPASA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000968990203 1306866667 /nfs/dbraw/zinc/86/66/67/1306866667.db2.gz XOGQLVFJDLJBOE-QRQLOZEOSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)c(C)c1 ZINC001044857011 1306867704 /nfs/dbraw/zinc/86/77/04/1306867704.db2.gz DCKQRAKUQJTNAR-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CF)cc2)CCN1C(=O)CN1CCCC1 ZINC001044858090 1306868656 /nfs/dbraw/zinc/86/86/56/1306868656.db2.gz QAECGGBHNPNTJA-APWZRJJASA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044858277 1306868762 /nfs/dbraw/zinc/86/87/62/1306868762.db2.gz RAOOVKVXNPNBFS-VQIMIIECSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)cc1F ZINC001044858858 1306869116 /nfs/dbraw/zinc/86/91/16/1306869116.db2.gz WQDDUHZZTSUDGR-AEFFLSMTSA-N 1 3 347.478 2.699 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044858848 1306869399 /nfs/dbraw/zinc/86/93/99/1306869399.db2.gz WOQKMRXYCXLKRU-PXNSSMCTSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC000968997131 1306872975 /nfs/dbraw/zinc/87/29/75/1306872975.db2.gz ZBULQMHFEDPNOH-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC000969074603 1306948192 /nfs/dbraw/zinc/94/81/92/1306948192.db2.gz KPYXEASYHBODSW-CZUORRHYSA-N 1 3 341.858 2.510 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC000969074703 1306948566 /nfs/dbraw/zinc/94/85/66/1306948566.db2.gz PFBDEWRBMTWNME-BHIYHBOVSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001044958945 1306956047 /nfs/dbraw/zinc/95/60/47/1306956047.db2.gz YDZBMFXUKFYLRX-DLBZAZTESA-N 1 3 335.517 2.540 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001044960041 1306956137 /nfs/dbraw/zinc/95/61/37/1306956137.db2.gz SYWBHJNMIKTXJB-DLBZAZTESA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1F ZINC001045067397 1307030308 /nfs/dbraw/zinc/03/03/08/1307030308.db2.gz PZCNZMCKXIOYCH-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001045068035 1307031440 /nfs/dbraw/zinc/03/14/40/1307031440.db2.gz ZVEZRZCIBDVFRQ-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)c1 ZINC001045070365 1307032824 /nfs/dbraw/zinc/03/28/24/1307032824.db2.gz FZEHFPYLLBXEJW-IBGZPJMESA-N 1 3 329.488 2.560 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1)C1CCC1 ZINC001045070848 1307033686 /nfs/dbraw/zinc/03/36/86/1307033686.db2.gz ZGGCPUVLEHIEHO-SFHVURJKSA-N 1 3 349.906 2.905 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001045078146 1307036657 /nfs/dbraw/zinc/03/66/57/1307036657.db2.gz BKGCZNCOJIXOFU-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001045090145 1307045201 /nfs/dbraw/zinc/04/52/01/1307045201.db2.gz VVGUPVSRVBSHMA-DLBZAZTESA-N 1 3 337.533 2.786 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1C)N(C)C ZINC001045090097 1307045498 /nfs/dbraw/zinc/04/54/98/1307045498.db2.gz SRNSWUUQVGGWBK-RBUKOAKNSA-N 1 3 331.504 2.724 20 0 EFADHO C(CN1CCCCC1)C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001209450856 1314164742 /nfs/dbraw/zinc/16/47/42/1314164742.db2.gz DBFCJSDTETVUAZ-LJQANCHMSA-N 1 3 336.520 2.913 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455473 1314166465 /nfs/dbraw/zinc/16/64/65/1314166465.db2.gz SXTTXPRDBFCTNI-HNNXBMFYSA-N 1 3 337.895 2.681 20 0 EFADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001209444162 1314163300 /nfs/dbraw/zinc/16/33/00/1314163300.db2.gz DRDXVYPBQLEOFV-CABCVRRESA-N 1 3 337.895 2.933 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001045187314 1307123860 /nfs/dbraw/zinc/12/38/60/1307123860.db2.gz JCUVYHKAALNUHI-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001045200414 1307135206 /nfs/dbraw/zinc/13/52/06/1307135206.db2.gz XONKJRKOGFSKGL-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H]2C)c1 ZINC001045200657 1307135772 /nfs/dbraw/zinc/13/57/72/1307135772.db2.gz KWDISFKFUFXMGZ-AEFFLSMTSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC001045200657 1307135777 /nfs/dbraw/zinc/13/57/77/1307135777.db2.gz KWDISFKFUFXMGZ-AEFFLSMTSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001045201142 1307136042 /nfs/dbraw/zinc/13/60/42/1307136042.db2.gz VQTDTDZLNITDDB-MOPGFXCFSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@H]2C)cs1 ZINC001045201256 1307136296 /nfs/dbraw/zinc/13/62/96/1307136296.db2.gz ZLQZBLJNNABTRN-PBHICJAKSA-N 1 3 335.517 2.621 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1F ZINC001045200796 1307136328 /nfs/dbraw/zinc/13/63/28/1307136328.db2.gz PQUVGRHXLAQUDZ-WMZOPIPTSA-N 1 3 347.478 2.699 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)CC1 ZINC001045218000 1307148141 /nfs/dbraw/zinc/14/81/41/1307148141.db2.gz FMGVAWNVLRNGNF-KRWDZBQOSA-N 1 3 332.492 2.749 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001045219448 1307150297 /nfs/dbraw/zinc/15/02/97/1307150297.db2.gz NEARFCVKVUFPHY-HKUYNNGSSA-N 1 3 338.455 2.610 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001045220037 1307151140 /nfs/dbraw/zinc/15/11/40/1307151140.db2.gz XOPNXEYKNIPYNA-YJBOKZPZSA-N 1 3 326.444 2.602 20 0 EFADHO C[C@H](NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)c1ccccc1F ZINC001045276418 1307197088 /nfs/dbraw/zinc/19/70/88/1307197088.db2.gz HEAIEMKBJGSIPU-HOTGVXAUSA-N 1 3 345.462 2.563 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)c1cccc(F)c1 ZINC001045310229 1307230333 /nfs/dbraw/zinc/23/03/33/1307230333.db2.gz KNKAQKBGFWQQOS-QAPCUYQASA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001045321566 1307239943 /nfs/dbraw/zinc/23/99/43/1307239943.db2.gz WRZTWRGNUSAWDF-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC001045321522 1307240505 /nfs/dbraw/zinc/24/05/05/1307240505.db2.gz UVLAQTWGRLMDNR-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323807 1307366672 /nfs/dbraw/zinc/36/66/72/1307366672.db2.gz CSRQVPSKMNEYEO-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007323807 1307366677 /nfs/dbraw/zinc/36/66/77/1307366677.db2.gz CSRQVPSKMNEYEO-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001007369085 1307392341 /nfs/dbraw/zinc/39/23/41/1307392341.db2.gz PNCOGFWOYUETJJ-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001007369085 1307392346 /nfs/dbraw/zinc/39/23/46/1307392346.db2.gz PNCOGFWOYUETJJ-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001007369083 1307392981 /nfs/dbraw/zinc/39/29/81/1307392981.db2.gz PNCOGFWOYUETJJ-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001007369083 1307392985 /nfs/dbraw/zinc/39/29/85/1307392985.db2.gz PNCOGFWOYUETJJ-HSALFYBXSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007376732 1307397108 /nfs/dbraw/zinc/39/71/08/1307397108.db2.gz MDQXWYVSDPJWNV-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007376732 1307397117 /nfs/dbraw/zinc/39/71/17/1307397117.db2.gz MDQXWYVSDPJWNV-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC[N@@H+]1C ZINC001007376714 1307397497 /nfs/dbraw/zinc/39/74/97/1307397497.db2.gz LIJKGJSMEZQJDQ-KBAYOESNSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(CCCc3ccsc3)C2)CC[N@H+]1C ZINC001007376714 1307397502 /nfs/dbraw/zinc/39/75/02/1307397502.db2.gz LIJKGJSMEZQJDQ-KBAYOESNSA-N 1 3 349.544 2.602 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458137 1307447109 /nfs/dbraw/zinc/44/71/09/1307447109.db2.gz VDONWFFXKYJQJQ-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458137 1307447113 /nfs/dbraw/zinc/44/71/13/1307447113.db2.gz VDONWFFXKYJQJQ-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620114 1307457891 /nfs/dbraw/zinc/45/78/91/1307457891.db2.gz BPILLHHPGZMGIY-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620114 1307457896 /nfs/dbraw/zinc/45/78/96/1307457896.db2.gz BPILLHHPGZMGIY-RBUKOAKNSA-N 1 3 333.520 2.774 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038620739 1307484763 /nfs/dbraw/zinc/48/47/63/1307484763.db2.gz CQPHHKPEQDKWLB-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038620739 1307484765 /nfs/dbraw/zinc/48/47/65/1307484765.db2.gz CQPHHKPEQDKWLB-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640403 1307493967 /nfs/dbraw/zinc/49/39/67/1307493967.db2.gz POICLEMHOSGBGY-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045640403 1307493970 /nfs/dbraw/zinc/49/39/70/1307493970.db2.gz POICLEMHOSGBGY-DOTOQJQBSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001045807114 1307664507 /nfs/dbraw/zinc/66/45/07/1307664507.db2.gz KBJKWCVPNHHTOF-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045807114 1307664513 /nfs/dbraw/zinc/66/45/13/1307664513.db2.gz KBJKWCVPNHHTOF-QYZOEREBSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001209632120 1314204234 /nfs/dbraw/zinc/20/42/34/1314204234.db2.gz KATKPSSKAHLLQB-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001209640735 1314207172 /nfs/dbraw/zinc/20/71/72/1314207172.db2.gz DBRWKRRYDWBGRA-QUCCMNQESA-N 1 3 343.515 2.542 20 0 EFADHO Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1OC(C)C ZINC001276660371 1314207594 /nfs/dbraw/zinc/20/75/94/1314207594.db2.gz HEOZYUBLJWVLBP-PMACEKPBSA-N 1 3 345.531 2.992 20 0 EFADHO Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1OC(C)C ZINC001276660371 1314207597 /nfs/dbraw/zinc/20/75/97/1314207597.db2.gz HEOZYUBLJWVLBP-PMACEKPBSA-N 1 3 345.531 2.992 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCCC1 ZINC001045858639 1307759676 /nfs/dbraw/zinc/75/96/76/1307759676.db2.gz POGNMWDBCROAMF-KURKYZTESA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCCC1 ZINC001045858639 1307759678 /nfs/dbraw/zinc/75/96/78/1307759678.db2.gz POGNMWDBCROAMF-KURKYZTESA-N 1 3 339.499 2.676 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008052380 1307787222 /nfs/dbraw/zinc/78/72/22/1307787222.db2.gz KYYGZPUWHJCPBY-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+](CC2CCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001008052380 1307787227 /nfs/dbraw/zinc/78/72/27/1307787227.db2.gz KYYGZPUWHJCPBY-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@H]1CCCN(CC2=CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008065850 1307795054 /nfs/dbraw/zinc/79/50/54/1307795054.db2.gz LGDUNQOWVFKOOB-PMACEKPBSA-N 1 3 345.531 2.942 20 0 EFADHO O=C(N[C@@H]1CCCN(CC2=CCCCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001008065852 1307795149 /nfs/dbraw/zinc/79/51/49/1307795149.db2.gz LGDUNQOWVFKOOB-UXHICEINSA-N 1 3 345.531 2.942 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001209669763 1314213611 /nfs/dbraw/zinc/21/36/11/1314213611.db2.gz TWWBIWQZYQHIPD-MOPGFXCFSA-N 1 3 349.494 2.679 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001209670299 1314213854 /nfs/dbraw/zinc/21/38/54/1314213854.db2.gz XTYVQFDJPYOSPX-PMACEKPBSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1)N(C)C ZINC001209678714 1314215093 /nfs/dbraw/zinc/21/50/93/1314215093.db2.gz MLUGPDICXWJCEY-MOPGFXCFSA-N 1 3 331.504 2.540 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937886 1307938844 /nfs/dbraw/zinc/93/88/44/1307938844.db2.gz MUQLBUUAKQDGLU-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCN1C(C)C)C2 ZINC001045937886 1307938850 /nfs/dbraw/zinc/93/88/50/1307938850.db2.gz MUQLBUUAKQDGLU-ICSRJNTNSA-N 1 3 335.536 2.974 20 0 EFADHO O=C(N[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001008277623 1307955134 /nfs/dbraw/zinc/95/51/34/1307955134.db2.gz UBNYHIDWTJGHCV-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001008277623 1307955139 /nfs/dbraw/zinc/95/51/39/1307955139.db2.gz UBNYHIDWTJGHCV-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008278980 1307956822 /nfs/dbraw/zinc/95/68/22/1307956822.db2.gz QJHRYTCSSDFUGL-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008278980 1307956825 /nfs/dbraw/zinc/95/68/25/1307956825.db2.gz QJHRYTCSSDFUGL-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943166 1307957102 /nfs/dbraw/zinc/95/71/02/1307957102.db2.gz GJRUJZIFGVRHTN-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943166 1307957107 /nfs/dbraw/zinc/95/71/07/1307957107.db2.gz GJRUJZIFGVRHTN-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001045943946 1307959490 /nfs/dbraw/zinc/95/94/90/1307959490.db2.gz RYMHPTLOTYXSTL-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001045943946 1307959496 /nfs/dbraw/zinc/95/94/96/1307959496.db2.gz RYMHPTLOTYXSTL-NRFANRHFSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001045943818 1307959615 /nfs/dbraw/zinc/95/96/15/1307959615.db2.gz PKWSPHZHFCTRJH-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001045943818 1307959616 /nfs/dbraw/zinc/95/96/16/1307959616.db2.gz PKWSPHZHFCTRJH-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045947085 1307969443 /nfs/dbraw/zinc/96/94/43/1307969443.db2.gz IWGADULJZBOUNE-UYAOXDASSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045947085 1307969444 /nfs/dbraw/zinc/96/94/44/1307969444.db2.gz IWGADULJZBOUNE-UYAOXDASSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001008299991 1307973055 /nfs/dbraw/zinc/97/30/55/1307973055.db2.gz TVOILYXTINHCRR-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001008299991 1307973057 /nfs/dbraw/zinc/97/30/57/1307973057.db2.gz TVOILYXTINHCRR-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000900335626 1308000845 /nfs/dbraw/zinc/00/08/45/1308000845.db2.gz ZKIKFAFTCIXUTJ-MDNKFWRPSA-N 1 3 341.499 2.955 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000900335626 1308000850 /nfs/dbraw/zinc/00/08/50/1308000850.db2.gz ZKIKFAFTCIXUTJ-MDNKFWRPSA-N 1 3 341.499 2.955 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966045 1308020827 /nfs/dbraw/zinc/02/08/27/1308020827.db2.gz YOTPPNMISRHTNR-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001045966045 1308020832 /nfs/dbraw/zinc/02/08/32/1308020832.db2.gz YOTPPNMISRHTNR-UYAOXDASSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045966226 1308021524 /nfs/dbraw/zinc/02/15/24/1308021524.db2.gz RCKCAFGIGYVKJC-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045966226 1308021529 /nfs/dbraw/zinc/02/15/29/1308021529.db2.gz RCKCAFGIGYVKJC-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045966896 1308023463 /nfs/dbraw/zinc/02/34/63/1308023463.db2.gz IWGADULJZBOUNE-ICSRJNTNSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CC=C(C)C)C2)C1)N(C)C ZINC001045966896 1308023466 /nfs/dbraw/zinc/02/34/66/1308023466.db2.gz IWGADULJZBOUNE-ICSRJNTNSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967383 1308025124 /nfs/dbraw/zinc/02/51/24/1308025124.db2.gz TWRYCGFARCCXPP-TZIWHRDSSA-N 1 3 347.547 2.999 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001045967383 1308025131 /nfs/dbraw/zinc/02/51/31/1308025131.db2.gz TWRYCGFARCCXPP-TZIWHRDSSA-N 1 3 347.547 2.999 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001045968789 1308029636 /nfs/dbraw/zinc/02/96/36/1308029636.db2.gz HEWBTNDJGPGNEZ-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001045968789 1308029639 /nfs/dbraw/zinc/02/96/39/1308029639.db2.gz HEWBTNDJGPGNEZ-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO Nc1cc[nH+]cc1CN1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001209730210 1314223785 /nfs/dbraw/zinc/22/37/85/1314223785.db2.gz HRSWMDAWKHKMHE-AZUAARDMSA-N 1 3 345.487 2.824 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008402213 1308047474 /nfs/dbraw/zinc/04/74/74/1308047474.db2.gz ZLHNOQKQCPGPFM-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008407363 1308050624 /nfs/dbraw/zinc/05/06/24/1308050624.db2.gz UBSNBJKGFOOWJM-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Nc1ccncc1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209732760 1314225404 /nfs/dbraw/zinc/22/54/04/1314225404.db2.gz DFZNGWAACRFVHL-RTBURBONSA-N 1 3 336.483 2.838 20 0 EFADHO Nc1ccncc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001209732760 1314225406 /nfs/dbraw/zinc/22/54/06/1314225406.db2.gz DFZNGWAACRFVHL-RTBURBONSA-N 1 3 336.483 2.838 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)cc1 ZINC001097775085 1314227202 /nfs/dbraw/zinc/22/72/02/1314227202.db2.gz IIWSVGJBMVONDS-AQNXPRMDSA-N 1 3 341.499 2.558 20 0 EFADHO Cc1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cn1 ZINC001413122586 1308114258 /nfs/dbraw/zinc/11/42/58/1308114258.db2.gz OSLADMQMFYJJMF-UHFFFAOYSA-N 1 3 325.456 2.637 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136448 1308125598 /nfs/dbraw/zinc/12/55/98/1308125598.db2.gz DBJRSHRHQUBRRP-BWPNAZKDSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001413136448 1308125600 /nfs/dbraw/zinc/12/56/00/1308125600.db2.gz DBJRSHRHQUBRRP-BWPNAZKDSA-N 1 3 341.499 2.592 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001413132065 1308131392 /nfs/dbraw/zinc/13/13/92/1308131392.db2.gz JEEITSSDUVFLRI-RTBURBONSA-N 1 3 340.471 2.544 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762769 1308271799 /nfs/dbraw/zinc/27/17/99/1308271799.db2.gz XFHFBXUCAMLPQN-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622185 1308300566 /nfs/dbraw/zinc/30/05/66/1308300566.db2.gz IFTZSLOWBZMHDZ-RBUKOAKNSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622185 1308300570 /nfs/dbraw/zinc/30/05/70/1308300570.db2.gz IFTZSLOWBZMHDZ-RBUKOAKNSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H](F)CCN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008880698 1308310641 /nfs/dbraw/zinc/31/06/41/1308310641.db2.gz JMTJWNJSDXNOIG-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009170706 1308417829 /nfs/dbraw/zinc/41/78/29/1308417829.db2.gz SERXRSWHMFRTBZ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCN(CCCF)C1 ZINC001009170706 1308417832 /nfs/dbraw/zinc/41/78/32/1308417832.db2.gz SERXRSWHMFRTBZ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009202051 1308428445 /nfs/dbraw/zinc/42/84/45/1308428445.db2.gz MFEIUSNIYFHETN-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009202051 1308428446 /nfs/dbraw/zinc/42/84/46/1308428446.db2.gz MFEIUSNIYFHETN-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001009203254 1308429302 /nfs/dbraw/zinc/42/93/02/1308429302.db2.gz PNLCBIZIGQVHIQ-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203254 1308429303 /nfs/dbraw/zinc/42/93/03/1308429303.db2.gz PNLCBIZIGQVHIQ-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001009205545 1308431269 /nfs/dbraw/zinc/43/12/69/1308431269.db2.gz AIIWYJWPUIYMCZ-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001009205545 1308431273 /nfs/dbraw/zinc/43/12/73/1308431273.db2.gz AIIWYJWPUIYMCZ-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900684950 1308526555 /nfs/dbraw/zinc/52/65/55/1308526555.db2.gz JDZDHFSXUGJJKZ-VQIMIIECSA-N 1 3 345.487 2.719 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900684950 1308526558 /nfs/dbraw/zinc/52/65/58/1308526558.db2.gz JDZDHFSXUGJJKZ-VQIMIIECSA-N 1 3 345.487 2.719 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCc2cccs2)C1 ZINC001046315552 1308530339 /nfs/dbraw/zinc/53/03/39/1308530339.db2.gz KCCDVTACQRXDPV-PKOBYXMFSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCc2cccs2)C1 ZINC001046315552 1308530344 /nfs/dbraw/zinc/53/03/44/1308530344.db2.gz KCCDVTACQRXDPV-PKOBYXMFSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCc2cccs2)C1 ZINC001046315550 1308530465 /nfs/dbraw/zinc/53/04/65/1308530465.db2.gz KCCDVTACQRXDPV-MJGOQNOKSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCc2cccs2)C1 ZINC001046315550 1308530473 /nfs/dbraw/zinc/53/04/73/1308530473.db2.gz KCCDVTACQRXDPV-MJGOQNOKSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001046317164 1308532692 /nfs/dbraw/zinc/53/26/92/1308532692.db2.gz SOEPMUFREHEDNE-AZUAARDMSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046317164 1308532696 /nfs/dbraw/zinc/53/26/96/1308532696.db2.gz SOEPMUFREHEDNE-AZUAARDMSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001046328904 1308544551 /nfs/dbraw/zinc/54/45/51/1308544551.db2.gz JEGVYVQZHDMSFA-YFVAEKQCSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001046328904 1308544554 /nfs/dbraw/zinc/54/45/54/1308544554.db2.gz JEGVYVQZHDMSFA-YFVAEKQCSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001046331750 1308548241 /nfs/dbraw/zinc/54/82/41/1308548241.db2.gz MUNJNKLDGRZVSV-BSIFCXSSSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001046331750 1308548243 /nfs/dbraw/zinc/54/82/43/1308548243.db2.gz MUNJNKLDGRZVSV-BSIFCXSSSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001019289907 1314256165 /nfs/dbraw/zinc/25/61/65/1314256165.db2.gz JOGDDSKWGOIOSC-BQFCYCMXSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001019289907 1314256169 /nfs/dbraw/zinc/25/61/69/1314256169.db2.gz JOGDDSKWGOIOSC-BQFCYCMXSA-N 1 3 347.478 2.555 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001009607785 1308583617 /nfs/dbraw/zinc/58/36/17/1308583617.db2.gz DJQYYASSQSLOQZ-OUNSHVDWSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001009607785 1308583619 /nfs/dbraw/zinc/58/36/19/1308583619.db2.gz DJQYYASSQSLOQZ-OUNSHVDWSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009612776 1308585159 /nfs/dbraw/zinc/58/51/59/1308585159.db2.gz SFLSPOICGGHJNV-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001009612776 1308585161 /nfs/dbraw/zinc/58/51/61/1308585161.db2.gz SFLSPOICGGHJNV-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000900782766 1308674681 /nfs/dbraw/zinc/67/46/81/1308674681.db2.gz LTYFLJGEBZYYNK-QRQLOZEOSA-N 1 3 331.504 2.838 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N(C)C ZINC000900782766 1308674687 /nfs/dbraw/zinc/67/46/87/1308674687.db2.gz LTYFLJGEBZYYNK-QRQLOZEOSA-N 1 3 331.504 2.838 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cs1 ZINC001046569542 1308812015 /nfs/dbraw/zinc/81/20/15/1308812015.db2.gz IWIZBKGESCWONN-UCLAIMLFSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cs1 ZINC001046569542 1308812021 /nfs/dbraw/zinc/81/20/21/1308812021.db2.gz IWIZBKGESCWONN-UCLAIMLFSA-N 1 3 349.544 2.867 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001046588965 1308849974 /nfs/dbraw/zinc/84/99/74/1308849974.db2.gz VGWBKXPGTLXCJU-NRFANRHFSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC001019326397 1314276407 /nfs/dbraw/zinc/27/64/07/1314276407.db2.gz NGXSYISTPBMXHJ-HOCLYGCPSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001019337702 1314280594 /nfs/dbraw/zinc/28/05/94/1314280594.db2.gz WRUPRUIQJCUZIL-ZOCIIQOWSA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001019337288 1314280749 /nfs/dbraw/zinc/28/07/49/1314280749.db2.gz CPMXAZYVIRZTCW-YSIASYRMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001019337420 1314280930 /nfs/dbraw/zinc/28/09/30/1314280930.db2.gz IVBQXMDXPQDXMU-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001019342648 1314283735 /nfs/dbraw/zinc/28/37/35/1314283735.db2.gz ALFHNLGSMZNNIH-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC001052677134 1314287928 /nfs/dbraw/zinc/28/79/28/1314287928.db2.gz MWECNJWKDHDNIO-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](F)CC)C1 ZINC001210181978 1314292359 /nfs/dbraw/zinc/29/23/59/1314292359.db2.gz HJKYVNMHBCCPQI-IAGOWNOFSA-N 1 3 329.504 2.827 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](CC)OC)C1 ZINC001210181122 1314292570 /nfs/dbraw/zinc/29/25/70/1314292570.db2.gz BONMCBLUWAGGPM-MSOLQXFVSA-N 1 3 341.540 2.504 20 0 EFADHO C[C@H](CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[NH+](C)C ZINC001413271323 1309193938 /nfs/dbraw/zinc/19/39/38/1309193938.db2.gz LSPNRWZKNBJFOM-MSOLQXFVSA-N 1 3 345.531 2.786 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001210218159 1314297382 /nfs/dbraw/zinc/29/73/82/1314297382.db2.gz PDCRCBOAJJXJAZ-CVEARBPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001210228440 1314298985 /nfs/dbraw/zinc/29/89/85/1314298985.db2.gz IQFBWNWGJJJYRQ-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001210230137 1314299087 /nfs/dbraw/zinc/29/90/87/1314299087.db2.gz TYZJSADBQIOGOA-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001019381231 1314303016 /nfs/dbraw/zinc/30/30/16/1314303016.db2.gz BROSQKZEEMBURG-UZLBHIALSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(Cl)c1 ZINC001019381040 1314303216 /nfs/dbraw/zinc/30/32/16/1314303216.db2.gz WOIRJQGFLVPTHX-WBVHZDCISA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(Cl)c1 ZINC001019381040 1314303218 /nfs/dbraw/zinc/30/32/18/1314303218.db2.gz WOIRJQGFLVPTHX-WBVHZDCISA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019382901 1314304477 /nfs/dbraw/zinc/30/44/77/1314304477.db2.gz OOBBKBOFLYHJMB-HKUYNNGSSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@@H](C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000901064786 1309339540 /nfs/dbraw/zinc/33/95/40/1309339540.db2.gz RMAPAFDXCLBHDS-NUJGCVRESA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001019386366 1314306291 /nfs/dbraw/zinc/30/62/91/1314306291.db2.gz MBKUZAUGOAKMBJ-PXNSSMCTSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC001019386921 1314306928 /nfs/dbraw/zinc/30/69/28/1314306928.db2.gz YRDRGPZIUQQASU-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC001019386921 1314306931 /nfs/dbraw/zinc/30/69/31/1314306931.db2.gz YRDRGPZIUQQASU-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001019386958 1314306970 /nfs/dbraw/zinc/30/69/70/1314306970.db2.gz ZYZHEDPXRHSGGN-YJBOKZPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)CC2)C1 ZINC001052701457 1314310424 /nfs/dbraw/zinc/31/04/24/1314310424.db2.gz FHRBYAMZYMSHCN-QUCCMNQESA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)CC2)C1 ZINC001052701457 1314310428 /nfs/dbraw/zinc/31/04/28/1314310428.db2.gz FHRBYAMZYMSHCN-QUCCMNQESA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001019394662 1314310814 /nfs/dbraw/zinc/31/08/14/1314310814.db2.gz MDCNKRBCOFJCAQ-HKUYNNGSSA-N 1 3 331.504 2.841 20 0 EFADHO CN1CCN(c2cccc(-c3ccc(O[C@H]4CC[NH2+]C4)cc3)c2)CC1 ZINC001243670382 1314311387 /nfs/dbraw/zinc/31/13/87/1314311387.db2.gz CVDVVPLDQSJTQT-NRFANRHFSA-N 1 3 337.467 2.846 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001019396320 1314311993 /nfs/dbraw/zinc/31/19/93/1314311993.db2.gz VNIUXOVNDQFPPJ-COXVUDFISA-N 1 3 337.895 2.932 20 0 EFADHO CCCc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046831696 1309478767 /nfs/dbraw/zinc/47/87/67/1309478767.db2.gz QIFXYNSYZNKJRK-FPOVZHCZSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046831696 1309478772 /nfs/dbraw/zinc/47/87/72/1309478772.db2.gz QIFXYNSYZNKJRK-FPOVZHCZSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712269 1314318521 /nfs/dbraw/zinc/31/85/21/1314318521.db2.gz GMQKQLDXCUCJQA-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CC4(CCC4)C3)CC2)C1 ZINC001052712269 1314318524 /nfs/dbraw/zinc/31/85/24/1314318524.db2.gz GMQKQLDXCUCJQA-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001052712277 1314318646 /nfs/dbraw/zinc/31/86/46/1314318646.db2.gz GNUNPVVHKINNFM-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC001052712277 1314318647 /nfs/dbraw/zinc/31/86/47/1314318647.db2.gz GNUNPVVHKINNFM-AZUAARDMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001052712395 1314318971 /nfs/dbraw/zinc/31/89/71/1314318971.db2.gz HWYTYCLENDIUGT-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001052712395 1314318972 /nfs/dbraw/zinc/31/89/72/1314318972.db2.gz HWYTYCLENDIUGT-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712581 1314319016 /nfs/dbraw/zinc/31/90/16/1314319016.db2.gz KVDOFTWOYSJRTE-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712581 1314319020 /nfs/dbraw/zinc/31/90/20/1314319020.db2.gz KVDOFTWOYSJRTE-LPHOPBHVSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712583 1314319141 /nfs/dbraw/zinc/31/91/41/1314319141.db2.gz KVDOFTWOYSJRTE-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712583 1314319145 /nfs/dbraw/zinc/31/91/45/1314319145.db2.gz KVDOFTWOYSJRTE-VQIMIIECSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851595 1309524189 /nfs/dbraw/zinc/52/41/89/1309524189.db2.gz IIPJUQFTRLJIBS-HNAYVOBHSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851595 1309524194 /nfs/dbraw/zinc/52/41/94/1309524194.db2.gz IIPJUQFTRLJIBS-HNAYVOBHSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046855789 1309532576 /nfs/dbraw/zinc/53/25/76/1309532576.db2.gz WXYPSFVWARRIHQ-HXUWFJFHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046855789 1309532572 /nfs/dbraw/zinc/53/25/72/1309532572.db2.gz WXYPSFVWARRIHQ-HXUWFJFHSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CCCC3CCC3)CC2)C1 ZINC001052713357 1314320489 /nfs/dbraw/zinc/32/04/89/1314320489.db2.gz VRUFJILHVSXTCS-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CCCC3CCC3)CC2)C1 ZINC001052713357 1314320493 /nfs/dbraw/zinc/32/04/93/1314320493.db2.gz VRUFJILHVSXTCS-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001052716297 1314321677 /nfs/dbraw/zinc/32/16/77/1314321677.db2.gz LGSXXRSLYRTYHZ-RDJZCZTQSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001052716297 1314321679 /nfs/dbraw/zinc/32/16/79/1314321679.db2.gz LGSXXRSLYRTYHZ-RDJZCZTQSA-N 1 3 335.517 2.703 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001052712086 1314317644 /nfs/dbraw/zinc/31/76/44/1314317644.db2.gz FBVTVDQQGSORDY-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001052712086 1314317646 /nfs/dbraw/zinc/31/76/46/1314317646.db2.gz FBVTVDQQGSORDY-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712546 1314318096 /nfs/dbraw/zinc/31/80/96/1314318096.db2.gz KGVDDCJMNKUMDY-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712546 1314318099 /nfs/dbraw/zinc/31/80/99/1314318099.db2.gz KGVDDCJMNKUMDY-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046934508 1309710336 /nfs/dbraw/zinc/71/03/36/1309710336.db2.gz CJALLMLYNCQXGY-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001046934508 1309710340 /nfs/dbraw/zinc/71/03/40/1309710340.db2.gz CJALLMLYNCQXGY-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046995634 1309880323 /nfs/dbraw/zinc/88/03/23/1309880323.db2.gz QNSAHKCVYGSBSV-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046995634 1309880332 /nfs/dbraw/zinc/88/03/32/1309880332.db2.gz QNSAHKCVYGSBSV-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001019468065 1314354136 /nfs/dbraw/zinc/35/41/36/1314354136.db2.gz FMINLMHDYGYAEM-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019468515 1314354806 /nfs/dbraw/zinc/35/48/06/1314354806.db2.gz YQHDPEVLWAVERV-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2F)C1 ZINC001019468515 1314354810 /nfs/dbraw/zinc/35/48/10/1314354810.db2.gz YQHDPEVLWAVERV-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCc2cccs2)C1 ZINC001019468451 1314354926 /nfs/dbraw/zinc/35/49/26/1314354926.db2.gz VVHQJCDXSSRKQM-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052763063 1314356762 /nfs/dbraw/zinc/35/67/62/1314356762.db2.gz CSPQSRZOPOUZQL-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052763063 1314356764 /nfs/dbraw/zinc/35/67/64/1314356764.db2.gz CSPQSRZOPOUZQL-DLBZAZTESA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCN(C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001052764982 1314358277 /nfs/dbraw/zinc/35/82/77/1314358277.db2.gz UTISCFJYBPKUIV-GJWDQICYSA-N 1 3 341.927 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C3CC[NH+](CC4CC4)CC3)C2)CCC1 ZINC001047244822 1310401621 /nfs/dbraw/zinc/40/16/21/1310401621.db2.gz VKUDOBMDEMVHJA-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244698 1310402049 /nfs/dbraw/zinc/40/20/49/1310402049.db2.gz UVESRQTULRPRPU-MOPGFXCFSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047255828 1310429234 /nfs/dbraw/zinc/42/92/34/1310429234.db2.gz DUXHPGLEWIPSLL-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[NH+]1CCC([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047259004 1310437250 /nfs/dbraw/zinc/43/72/50/1310437250.db2.gz JEIJEJGTTIVFIB-WMZOPIPTSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001210789871 1314388744 /nfs/dbraw/zinc/38/87/44/1314388744.db2.gz SGPBOAMETBECEO-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C2CC[NH+](CC)CC2)C1 ZINC001047266059 1310460755 /nfs/dbraw/zinc/46/07/55/1310460755.db2.gz PKWKFNDKOLXIQA-MOPGFXCFSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001210783382 1314386976 /nfs/dbraw/zinc/38/69/76/1314386976.db2.gz SKKNMXYSDODTLQ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001210782955 1314387390 /nfs/dbraw/zinc/38/73/90/1314387390.db2.gz QZKSDHCGNDZULT-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001210796444 1314389465 /nfs/dbraw/zinc/38/94/65/1314389465.db2.gz GTBNMXISOQNRED-ZDUSSCGKSA-N 1 3 336.307 2.618 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001210796444 1314389468 /nfs/dbraw/zinc/38/94/68/1314389468.db2.gz GTBNMXISOQNRED-ZDUSSCGKSA-N 1 3 336.307 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001210810794 1314391952 /nfs/dbraw/zinc/39/19/52/1314391952.db2.gz DGCZHTVBMOLMEH-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001210811451 1314393101 /nfs/dbraw/zinc/39/31/01/1314393101.db2.gz OEQJGJVXXUDFJE-AZUAARDMSA-N 1 3 343.515 2.986 20 0 EFADHO CCn1nc(C)c(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1C ZINC001276692405 1314417210 /nfs/dbraw/zinc/41/72/10/1314417210.db2.gz PLKRMDLOCWJZCU-UXHICEINSA-N 1 3 347.551 2.606 20 0 EFADHO Cc1cccc(F)c1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276692726 1314423283 /nfs/dbraw/zinc/42/32/83/1314423283.db2.gz VPSGWNADZRIHDJ-UHFFFAOYSA-N 1 3 342.462 2.929 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730679 1311020300 /nfs/dbraw/zinc/02/03/00/1311020300.db2.gz NJCSWGULHXWEDE-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001221730679 1311020304 /nfs/dbraw/zinc/02/03/04/1311020304.db2.gz NJCSWGULHXWEDE-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776828 1311029597 /nfs/dbraw/zinc/02/95/97/1311029597.db2.gz FTNLOEDCWRQCPV-BHIYHBOVSA-N 1 3 329.488 2.622 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221774204 1311029604 /nfs/dbraw/zinc/02/96/04/1311029604.db2.gz ZCDJVINWUUXKLW-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c(C)c1 ZINC001221777211 1311029873 /nfs/dbraw/zinc/02/98/73/1311029873.db2.gz XRUHHRRVOVBCKQ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CC[NH2+]C(C)(C)C ZINC000901778627 1311030414 /nfs/dbraw/zinc/03/04/14/1311030414.db2.gz QVRCMRXOQWBETK-WMZOPIPTSA-N 1 3 329.488 2.908 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000749572842 1311033819 /nfs/dbraw/zinc/03/38/19/1311033819.db2.gz MUGVCVJPQVLFOC-LJQANCHMSA-N 1 3 344.503 2.641 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000749572842 1311033821 /nfs/dbraw/zinc/03/38/21/1311033821.db2.gz MUGVCVJPQVLFOC-LJQANCHMSA-N 1 3 344.503 2.641 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001221812114 1311036939 /nfs/dbraw/zinc/03/69/39/1311036939.db2.gz ZHMSKGQVMKUYDF-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N(CC)CC ZINC001221812114 1311036942 /nfs/dbraw/zinc/03/69/42/1311036942.db2.gz ZHMSKGQVMKUYDF-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCN(CCCF)C[C@H]21 ZINC001221940927 1311057133 /nfs/dbraw/zinc/05/71/33/1311057133.db2.gz QCRWSTUZVXIMGI-QZTJIDSGSA-N 1 3 341.515 2.781 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001222049482 1311074074 /nfs/dbraw/zinc/07/40/74/1311074074.db2.gz CLNNNRKFNRMLJH-SHOKJUJBSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083976 1311081631 /nfs/dbraw/zinc/08/16/31/1311081631.db2.gz RJABXBKAKCQJCI-RTBURBONSA-N 1 3 333.520 2.751 20 0 EFADHO CCOC(=O)c1ccc(CCCN2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001222141634 1311090314 /nfs/dbraw/zinc/09/03/14/1311090314.db2.gz PDSZIHUIPHKRTQ-FQEVSTJZSA-N 1 3 330.472 2.871 20 0 EFADHO CCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490912 1311097136 /nfs/dbraw/zinc/09/71/36/1311097136.db2.gz WYSSQAWNKJIZOY-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO CCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(N(C)C)CCC1 ZINC001099490912 1311097139 /nfs/dbraw/zinc/09/71/39/1311097139.db2.gz WYSSQAWNKJIZOY-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO [NH3+]CC1(F)CCN(Cc2n[nH]c3cc(Br)ccc32)CC1 ZINC001222542508 1311150042 /nfs/dbraw/zinc/15/00/42/1311150042.db2.gz GFCWTOCUWCOGFZ-UHFFFAOYSA-N 1 3 341.228 2.588 20 0 EFADHO [NH3+]CC1(F)CCN(Cc2n[nH]c3cc(C(F)(F)F)ccc32)CC1 ZINC001222553643 1311151806 /nfs/dbraw/zinc/15/18/06/1311151806.db2.gz ZVLKUZGLOQUMNO-UHFFFAOYSA-N 1 3 330.329 2.845 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1)N(C)C ZINC001222929376 1311199905 /nfs/dbraw/zinc/19/99/05/1311199905.db2.gz FNAPTHNUZWUVSO-SQNIBIBYSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCCCCF)[C@H]2C1)N(C)C ZINC001222929376 1311199908 /nfs/dbraw/zinc/19/99/08/1311199908.db2.gz FNAPTHNUZWUVSO-SQNIBIBYSA-N 1 3 341.515 2.635 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223181487 1311227042 /nfs/dbraw/zinc/22/70/42/1311227042.db2.gz IZVKKHUONFDPSI-HOJAQTOUSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001223181487 1311227044 /nfs/dbraw/zinc/22/70/44/1311227044.db2.gz IZVKKHUONFDPSI-HOJAQTOUSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)cnc1C ZINC001276870928 1311228422 /nfs/dbraw/zinc/22/84/22/1311228422.db2.gz UOKPOMSODPUKLL-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)cnc1C ZINC001276870928 1311228423 /nfs/dbraw/zinc/22/84/23/1311228423.db2.gz UOKPOMSODPUKLL-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276871685 1311233363 /nfs/dbraw/zinc/23/33/63/1311233363.db2.gz CEYUJSIFHNKLMZ-CALCHBBNSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001276871685 1311233365 /nfs/dbraw/zinc/23/33/65/1311233365.db2.gz CEYUJSIFHNKLMZ-CALCHBBNSA-N 1 3 340.471 2.768 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353596 1311235836 /nfs/dbraw/zinc/23/58/36/1311235836.db2.gz AGJIBFIABPVDGH-ALTVKAPRSA-N 1 3 335.536 2.709 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@]2(C)C1 ZINC001101353596 1311235839 /nfs/dbraw/zinc/23/58/39/1311235839.db2.gz AGJIBFIABPVDGH-ALTVKAPRSA-N 1 3 335.536 2.709 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364212 1311236834 /nfs/dbraw/zinc/23/68/34/1311236834.db2.gz OASZJFSDLDUTMR-GEHBYACWSA-N 1 3 333.520 2.607 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364212 1311236836 /nfs/dbraw/zinc/23/68/36/1311236836.db2.gz OASZJFSDLDUTMR-GEHBYACWSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047866735 1311239210 /nfs/dbraw/zinc/23/92/10/1311239210.db2.gz DMUZJILUDVPAAL-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)cc1O ZINC001276878699 1311239451 /nfs/dbraw/zinc/23/94/51/1311239451.db2.gz YFVFHRQEESBNKQ-UHFFFAOYSA-N 1 3 340.471 2.912 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047868089 1311240484 /nfs/dbraw/zinc/24/04/84/1311240484.db2.gz MRVLXRYARGHWOF-RDJZCZTQSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869618 1311241408 /nfs/dbraw/zinc/24/14/08/1311241408.db2.gz RCYIIKGJRVZOIB-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871747 1311244474 /nfs/dbraw/zinc/24/44/74/1311244474.db2.gz ZFYYKLVYTJBKDH-AEFFLSMTSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)[C@@H](C3CC3)N(C)C)CC2)c1 ZINC001223465861 1311264405 /nfs/dbraw/zinc/26/44/05/1311264405.db2.gz MYPIDEIHRDJRQF-HXUWFJFHSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@H](C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1)C1CC1 ZINC001223472761 1311264862 /nfs/dbraw/zinc/26/48/62/1311264862.db2.gz VGZVKUAPZRNGGG-SFHVURJKSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](Cc3cccc(F)c3)CC2)CCC1 ZINC001223472383 1311265242 /nfs/dbraw/zinc/26/52/42/1311265242.db2.gz POKIXTKQKJKZFJ-UHFFFAOYSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC001223486992 1311267162 /nfs/dbraw/zinc/26/71/62/1311267162.db2.gz BFBOLFGWEGVIGR-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N(CC)CC ZINC001223488983 1311267845 /nfs/dbraw/zinc/26/78/45/1311267845.db2.gz GDZODACQZXGNLH-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N(CC)CC ZINC001223488983 1311267847 /nfs/dbraw/zinc/26/78/47/1311267847.db2.gz GDZODACQZXGNLH-QYZOEREBSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102071274 1311277368 /nfs/dbraw/zinc/27/73/68/1311277368.db2.gz IQQNQDKVGMDBSP-OIISXLGYSA-N 1 3 337.533 2.518 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1C)N(C)C ZINC001102071274 1311277369 /nfs/dbraw/zinc/27/73/69/1311277369.db2.gz IQQNQDKVGMDBSP-OIISXLGYSA-N 1 3 337.533 2.518 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001223597960 1311280360 /nfs/dbraw/zinc/28/03/60/1311280360.db2.gz TZDHMQYXDNVEET-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccc(C)cc2C)CC1)N(C)C ZINC001223598144 1311280802 /nfs/dbraw/zinc/28/08/02/1311280802.db2.gz YUBPQJRNKICHJF-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC001223598116 1311280820 /nfs/dbraw/zinc/28/08/20/1311280820.db2.gz WZJRAMVMIGLKQB-QFBILLFUSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985990 1311351990 /nfs/dbraw/zinc/35/19/90/1311351990.db2.gz AQHYYAWUQGZFPE-HIFRSBDPSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001047986533 1311352587 /nfs/dbraw/zinc/35/25/87/1311352587.db2.gz DMLAITNPQDFFOK-WMZOPIPTSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224356779 1311380220 /nfs/dbraw/zinc/38/02/20/1311380220.db2.gz WARUTDLSHJRCMD-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001158786892 1311388030 /nfs/dbraw/zinc/38/80/30/1311388030.db2.gz KIDQFIXBVOGLDG-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001158786892 1311388032 /nfs/dbraw/zinc/38/80/32/1311388032.db2.gz KIDQFIXBVOGLDG-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@@H](C(=O)NCC1CCN(Cc2cccnc2)CC1)[NH+](CC)CC ZINC001224476898 1311396044 /nfs/dbraw/zinc/39/60/44/1311396044.db2.gz LXKKFZSOGLDFTR-IBGZPJMESA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC001224535723 1311404380 /nfs/dbraw/zinc/40/43/80/1311404380.db2.gz JHIXHZXVHXXDTN-OAHLLOKOSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1cc(C[NH+]2CCC(CNC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001224558643 1311406602 /nfs/dbraw/zinc/40/66/02/1311406602.db2.gz IIABVGDWAOBWKE-HNNXBMFYSA-N 1 3 349.544 2.727 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001224560421 1311407344 /nfs/dbraw/zinc/40/73/44/1311407344.db2.gz SYKJMVFICMCWCW-MRXNPFEDSA-N 1 3 335.536 2.593 20 0 EFADHO CCC/C=C\CC[NH+]1CCC(CNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001224560502 1311407548 /nfs/dbraw/zinc/40/75/48/1311407548.db2.gz VFZQYWQZXAVKMV-XFHJGTJQSA-N 1 3 335.536 2.903 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(CNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001224558866 1311407636 /nfs/dbraw/zinc/40/76/36/1311407636.db2.gz JYBBPIBSGHBGNE-QZTJIDSGSA-N 1 3 343.515 2.918 20 0 EFADHO CN(CC(=O)NCC1CC[NH+](CCCCCF)CC1)CC(C)(C)C ZINC001224575766 1311409751 /nfs/dbraw/zinc/40/97/51/1311409751.db2.gz FNVLZCTUZQFOEM-UHFFFAOYSA-N 1 3 343.531 2.932 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C/C=C/c2ccccc2)CC1)N(C)C ZINC001224582812 1311411020 /nfs/dbraw/zinc/41/10/20/1311411020.db2.gz BWTWWOXRGZQCFW-ZBWUASRJSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058609 1311417469 /nfs/dbraw/zinc/41/74/69/1311417469.db2.gz GWWJVILTDGZVTM-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068476 1311427457 /nfs/dbraw/zinc/42/74/57/1311427457.db2.gz GJGINYPBQYEODS-NVXWUHKLSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001048068295 1311427777 /nfs/dbraw/zinc/42/77/77/1311427777.db2.gz VEFGEKOKSJBSRZ-NVXWUHKLSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048068858 1311428255 /nfs/dbraw/zinc/42/82/55/1311428255.db2.gz JSGMTSUVDMLYOJ-DNVCBOLYSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H](C(=O)NCC1CC[NH+](CC2CCC2)CC1)N1CCCCCC1 ZINC001224739770 1311429494 /nfs/dbraw/zinc/42/94/94/1311429494.db2.gz PXNRUPOCSNHLBD-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001224904528 1311449521 /nfs/dbraw/zinc/44/95/21/1311449521.db2.gz PLYRUWAQBYVHDP-FLIBITNWSA-N 1 3 343.515 2.870 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001224911662 1311449683 /nfs/dbraw/zinc/44/96/83/1311449683.db2.gz QOCPLQVPBMBVKN-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2ccccc2C)CC1 ZINC001224911917 1311449758 /nfs/dbraw/zinc/44/97/58/1311449758.db2.gz WSKVKXIXZQBUAA-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001224911669 1311450004 /nfs/dbraw/zinc/45/00/04/1311450004.db2.gz QXQDYOVMWFJWTA-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCN1CCN(c2ccc(Nc3cnc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001159138634 1311459308 /nfs/dbraw/zinc/45/93/08/1311459308.db2.gz LLFYINSCSWOAIZ-UHFFFAOYSA-N 1 3 337.471 2.613 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC001225087804 1311473910 /nfs/dbraw/zinc/47/39/10/1311473910.db2.gz LWOIOKDTSQISSP-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC001225087804 1311473912 /nfs/dbraw/zinc/47/39/12/1311473912.db2.gz LWOIOKDTSQISSP-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001225228102 1311492668 /nfs/dbraw/zinc/49/26/68/1311492668.db2.gz AWJRCDMOLCDVTD-UHFFFAOYSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001014403244 1311498817 /nfs/dbraw/zinc/49/88/17/1311498817.db2.gz ZEQJMIWSXWFZEG-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN3C(C)C)C2)c1 ZINC001014403244 1311498821 /nfs/dbraw/zinc/49/88/21/1311498821.db2.gz ZEQJMIWSXWFZEG-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001225277585 1311499466 /nfs/dbraw/zinc/49/94/66/1311499466.db2.gz CGDJQJYXZNZNTR-UHFFFAOYSA-N 1 3 346.519 2.915 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001225284588 1311501111 /nfs/dbraw/zinc/50/11/11/1311501111.db2.gz GACYKXQUWXLETC-MRXNPFEDSA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014441543 1311517665 /nfs/dbraw/zinc/51/76/65/1311517665.db2.gz ZBUSMNZQJDPUTH-QZTJIDSGSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)=CCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014441543 1311517668 /nfs/dbraw/zinc/51/76/68/1311517668.db2.gz ZBUSMNZQJDPUTH-QZTJIDSGSA-N 1 3 333.520 2.798 20 0 EFADHO CCN1CCN(c2ccc(Nc3cccc(OCC[NH3+])c3)cc2)CC1 ZINC001159450296 1311518255 /nfs/dbraw/zinc/51/82/55/1311518255.db2.gz UOFPAXHLOQOBLL-UHFFFAOYSA-N 1 3 340.471 2.910 20 0 EFADHO Nc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159459954 1311520371 /nfs/dbraw/zinc/52/03/71/1311520371.db2.gz IMRHCLQPKQPVRG-UHFFFAOYSA-N 1 3 335.455 2.573 20 0 EFADHO Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(N)c1 ZINC001159468479 1311521901 /nfs/dbraw/zinc/52/19/01/1311521901.db2.gz XITYNBODGRXKKV-UHFFFAOYSA-N 1 3 349.482 2.882 20 0 EFADHO C1=C(Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C[NH2+]C1 ZINC001159478520 1311523343 /nfs/dbraw/zinc/52/33/43/1311523343.db2.gz SPBGPVBSSSMOSH-UHFFFAOYSA-N 1 3 348.494 2.903 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@@H]2CNCCO2)nc1 ZINC001159500913 1311527605 /nfs/dbraw/zinc/52/76/05/1311527605.db2.gz FYFTYYDEDAZJQM-JQHSSLGASA-N 1 3 332.492 2.807 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)[C@@H]2CNCCO2)nc1 ZINC001159500913 1311527608 /nfs/dbraw/zinc/52/76/08/1311527608.db2.gz FYFTYYDEDAZJQM-JQHSSLGASA-N 1 3 332.492 2.807 20 0 EFADHO CN1CCN(Cc2cccc(Nc3cccc4c3CC[NH2+]C4)c2)CC1 ZINC001159547515 1311539034 /nfs/dbraw/zinc/53/90/34/1311539034.db2.gz CQYURAWJAPFCFI-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001225578529 1311546739 /nfs/dbraw/zinc/54/67/39/1311546739.db2.gz WHCJSCBDPOVRRC-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(CNC(=O)CN(C)C(C)C)CC2)c1 ZINC001225577347 1311546968 /nfs/dbraw/zinc/54/69/68/1311546968.db2.gz DWCGICUPOLVNBU-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC001225582339 1311547981 /nfs/dbraw/zinc/54/79/81/1311547981.db2.gz KNHYXTQIHMWTGS-MRXNPFEDSA-N 1 3 345.478 2.590 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001159628453 1311554742 /nfs/dbraw/zinc/55/47/42/1311554742.db2.gz JRZAZSZNAQOWJR-IBGZPJMESA-N 1 3 345.531 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001159628453 1311554743 /nfs/dbraw/zinc/55/47/43/1311554743.db2.gz JRZAZSZNAQOWJR-IBGZPJMESA-N 1 3 345.531 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001159628773 1311554774 /nfs/dbraw/zinc/55/47/74/1311554774.db2.gz PRUMBHCEOMCLGU-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001159628773 1311554776 /nfs/dbraw/zinc/55/47/76/1311554776.db2.gz PRUMBHCEOMCLGU-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628425 1311555283 /nfs/dbraw/zinc/55/52/83/1311555283.db2.gz ITWQXGOWXAAZDO-IEBWSBKVSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCN2C)CC1 ZINC001159628425 1311555287 /nfs/dbraw/zinc/55/52/87/1311555287.db2.gz ITWQXGOWXAAZDO-IEBWSBKVSA-N 1 3 335.536 2.901 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001159628919 1311555576 /nfs/dbraw/zinc/55/55/76/1311555576.db2.gz QUPYBMZWUCNVJT-SFHVURJKSA-N 1 3 333.520 2.655 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001159628919 1311555579 /nfs/dbraw/zinc/55/55/79/1311555579.db2.gz QUPYBMZWUCNVJT-SFHVURJKSA-N 1 3 333.520 2.655 20 0 EFADHO Cc1cccc(C[N@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001159628935 1311555759 /nfs/dbraw/zinc/55/57/59/1311555759.db2.gz RGUUASQNDAHWON-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001159628935 1311555763 /nfs/dbraw/zinc/55/57/63/1311555763.db2.gz RGUUASQNDAHWON-FQEVSTJZSA-N 1 3 341.499 2.728 20 0 EFADHO N[C@@H](CCC[NH3+])NC(F)(F)c1cc(Cl)c(Cl)nc1Cl ZINC001159787568 1311584680 /nfs/dbraw/zinc/58/46/80/1311584680.db2.gz YFYMIIOEYAKFSI-SSDOTTSWSA-N 1 3 333.597 2.704 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159860672 1311598369 /nfs/dbraw/zinc/59/83/69/1311598369.db2.gz BHOJBKDEGDRUML-UHFFFAOYSA-N 1 3 331.504 2.508 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccccc1Cl ZINC001159861394 1311598899 /nfs/dbraw/zinc/59/88/99/1311598899.db2.gz OQSWDASCUKEBID-CQSZACIVSA-N 1 3 337.895 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC001159914135 1311607286 /nfs/dbraw/zinc/60/72/86/1311607286.db2.gz ANRYTTORRAMULS-HXUWFJFHSA-N 1 3 339.483 2.776 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C ZINC001159915788 1311607629 /nfs/dbraw/zinc/60/76/29/1311607629.db2.gz NVVGLYLJUJKHIN-QGZVFWFLSA-N 1 3 337.895 2.585 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1cccc(Cl)c1 ZINC001159915321 1311608122 /nfs/dbraw/zinc/60/81/22/1311608122.db2.gz JNWDLJCKQPFMRP-DYVFJYSZSA-N 1 3 337.895 2.837 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)[C@@H](C2CC2)N(C)C)cc1 ZINC001159932061 1311611684 /nfs/dbraw/zinc/61/16/84/1311611684.db2.gz NTOABTARIGTFDV-HXUWFJFHSA-N 1 3 345.531 2.821 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1Cl ZINC001159933086 1311611969 /nfs/dbraw/zinc/61/19/69/1311611969.db2.gz ZDZQWPZUJYATLF-CXAGYDPISA-N 1 3 337.895 2.837 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccccc1Cl ZINC001159933088 1311612098 /nfs/dbraw/zinc/61/20/98/1311612098.db2.gz ZDZQWPZUJYATLF-GUYCJALGSA-N 1 3 337.895 2.837 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl)C1CCC1 ZINC001159997664 1311626376 /nfs/dbraw/zinc/62/63/76/1311626376.db2.gz XHQQYUWWZHJUIV-SFHVURJKSA-N 1 3 349.906 2.908 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1F)C1CCC1 ZINC001159997056 1311626467 /nfs/dbraw/zinc/62/64/67/1311626467.db2.gz DHWARTYUJMTOHO-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1cccc(Cl)c1 ZINC001159997325 1311626774 /nfs/dbraw/zinc/62/67/74/1311626774.db2.gz LVNCSETWBQTAQE-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001160003619 1311627425 /nfs/dbraw/zinc/62/74/25/1311627425.db2.gz XHBSSOMEMUFHFB-GOSISDBHSA-N 1 3 335.467 2.857 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)C1CCC1 ZINC001160003639 1311627457 /nfs/dbraw/zinc/62/74/57/1311627457.db2.gz XXSKXZAOVJQVBD-LJQANCHMSA-N 1 3 329.488 2.644 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001160003620 1311627526 /nfs/dbraw/zinc/62/75/26/1311627526.db2.gz XHBSSOMEMUFHFB-SFHVURJKSA-N 1 3 335.467 2.857 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cc1 ZINC001048274931 1311628171 /nfs/dbraw/zinc/62/81/71/1311628171.db2.gz AJWMZNUHNHHXHJ-PKOBYXMFSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cc1 ZINC001048274925 1311628231 /nfs/dbraw/zinc/62/82/31/1311628231.db2.gz AJWMZNUHNHHXHJ-IEBWSBKVSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048276046 1311628653 /nfs/dbraw/zinc/62/86/53/1311628653.db2.gz FAPZMLCXAZJGRR-WMZOPIPTSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001048279020 1311632391 /nfs/dbraw/zinc/63/23/91/1311632391.db2.gz GKGBNMPECRBFOE-MJGOQNOKSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048279198 1311632567 /nfs/dbraw/zinc/63/25/67/1311632567.db2.gz HFXPYXLLZOGZGR-RDJZCZTQSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)cs1 ZINC001048280872 1311633462 /nfs/dbraw/zinc/63/34/62/1311633462.db2.gz PTIGPFNKMDDUCX-PBHICJAKSA-N 1 3 349.544 2.725 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048282311 1311635270 /nfs/dbraw/zinc/63/52/70/1311635270.db2.gz ZKKRVSNVTCKVIP-FUHWJXTLSA-N 1 3 333.520 2.655 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000902347439 1311658665 /nfs/dbraw/zinc/65/86/65/1311658665.db2.gz UMJJUHFRCASUHE-RBUKOAKNSA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001014724892 1311691224 /nfs/dbraw/zinc/69/12/24/1311691224.db2.gz XTYJQGROPRHEBB-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001014724892 1311691227 /nfs/dbraw/zinc/69/12/27/1311691227.db2.gz XTYJQGROPRHEBB-OALUTQOASA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001160427778 1311707347 /nfs/dbraw/zinc/70/73/47/1311707347.db2.gz TUFAXWWNJAHICD-GUYCJALGSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001160427353 1311707363 /nfs/dbraw/zinc/70/73/63/1311707363.db2.gz QNODAWPFJGJVAB-KRWDZBQOSA-N 1 3 339.911 2.565 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001160427015 1311707486 /nfs/dbraw/zinc/70/74/86/1311707486.db2.gz LNINKORGPQINIX-OALUTQOASA-N 1 3 331.504 2.746 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160426693 1311707571 /nfs/dbraw/zinc/70/75/71/1311707571.db2.gz IWKJXLFEHGHCCC-IBGZPJMESA-N 1 3 333.520 2.610 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cc(F)ccc1F)N(C)C ZINC001160434578 1311709154 /nfs/dbraw/zinc/70/91/54/1311709154.db2.gz RRCSPGOKPUODAM-GUYCJALGSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001160455435 1311712777 /nfs/dbraw/zinc/71/27/77/1311712777.db2.gz YGOURLAWTCCJAU-PMACEKPBSA-N 1 3 345.531 2.963 20 0 EFADHO Cc1ccc(CN2CCO[C@H](CN[C@@H]3CC[NH2+]CC(C)(C)C3)C2)cc1 ZINC000902403235 1311713849 /nfs/dbraw/zinc/71/38/49/1311713849.db2.gz FSSYWZRBUFJMDN-WOJBJXKFSA-N 1 3 345.531 2.564 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902406683 1311717504 /nfs/dbraw/zinc/71/75/04/1311717504.db2.gz QIWVMTHEBWGVSM-PMACEKPBSA-N 1 3 345.531 2.564 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001160474043 1311718978 /nfs/dbraw/zinc/71/89/78/1311718978.db2.gz XQJWICLYWVEPMW-HXUWFJFHSA-N 1 3 343.515 2.708 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001160474043 1311718980 /nfs/dbraw/zinc/71/89/80/1311718980.db2.gz XQJWICLYWVEPMW-HXUWFJFHSA-N 1 3 343.515 2.708 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](CCc2cccs2)CC1)N(C)C ZINC001160479074 1311719525 /nfs/dbraw/zinc/71/95/25/1311719525.db2.gz MOEJSWBNWAEJNX-GOSISDBHSA-N 1 3 349.544 2.769 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](CCc2cccs2)CC1)N(C)C ZINC001160479074 1311719529 /nfs/dbraw/zinc/71/95/29/1311719529.db2.gz MOEJSWBNWAEJNX-GOSISDBHSA-N 1 3 349.544 2.769 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F)C1CC1 ZINC001226774449 1311721189 /nfs/dbraw/zinc/72/11/89/1311721189.db2.gz MNVILOVVCRDURW-GUDVDZBRSA-N 1 3 347.478 2.683 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1)C1CC1 ZINC001226799945 1311725362 /nfs/dbraw/zinc/72/53/62/1311725362.db2.gz GWRRZPSMPPVVNC-KURKYZTESA-N 1 3 349.544 2.648 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001226799830 1311725373 /nfs/dbraw/zinc/72/53/73/1311725373.db2.gz DTDLIHKZLXKCQN-QRVBRYPASA-N 1 3 347.478 2.683 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C1CCC1 ZINC001226830130 1311729697 /nfs/dbraw/zinc/72/96/97/1311729697.db2.gz CKIMPNFUBWGWMO-WOJBJXKFSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001048385344 1311730986 /nfs/dbraw/zinc/73/09/86/1311730986.db2.gz ANHPHPVWODITCA-DOTOQJQBSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F)N(C)C ZINC001226942084 1311744110 /nfs/dbraw/zinc/74/41/10/1311744110.db2.gz OPCIUGWGEUXNHJ-MCIONIFRSA-N 1 3 337.430 2.542 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001048415282 1311753579 /nfs/dbraw/zinc/75/35/79/1311753579.db2.gz AUPFKIRCXHHAGC-PKOBYXMFSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]Cc1ccccc1 ZINC001048416985 1311754852 /nfs/dbraw/zinc/75/48/52/1311754852.db2.gz HVPQGNMSSWIIAZ-UYAOXDASSA-N 1 3 343.515 2.603 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048417977 1311755200 /nfs/dbraw/zinc/75/52/00/1311755200.db2.gz PAXZDWXKGVMUMJ-HKUYNNGSSA-N 1 3 349.563 2.839 20 0 EFADHO COc1ccc([C@@H](C)N(C)C(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1 ZINC001160686154 1311759673 /nfs/dbraw/zinc/75/96/73/1311759673.db2.gz PNPJLLIZHZTAJM-QAPCUYQASA-N 1 3 335.492 2.710 20 0 EFADHO O=C([C@H]1CC12CC[NH+](CCCN1CCCCC1)CC2)N1CCCCO1 ZINC001277183044 1311766203 /nfs/dbraw/zinc/76/62/03/1311766203.db2.gz KOYIXYZTVCZXQA-GOSISDBHSA-N 1 3 349.519 2.519 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCOC ZINC001227150423 1311768870 /nfs/dbraw/zinc/76/88/70/1311768870.db2.gz RGAFRSNDASUJSC-IAGOWNOFSA-N 1 3 341.540 2.550 20 0 EFADHO CN(C)c1ccc(N2CCC(NC[C@@H]3CCCCC[NH2+]3)CC2)cc1 ZINC000902482739 1311783174 /nfs/dbraw/zinc/78/31/74/1311783174.db2.gz NGTQUQSCZQAXJC-SFHVURJKSA-N 1 3 330.520 2.843 20 0 EFADHO CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3CCCCCN3)CC2)cc1 ZINC000902482739 1311783178 /nfs/dbraw/zinc/78/31/78/1311783178.db2.gz NGTQUQSCZQAXJC-SFHVURJKSA-N 1 3 330.520 2.843 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl)N(C)C ZINC001160883235 1311802737 /nfs/dbraw/zinc/80/27/37/1311802737.db2.gz IJCKMEUQZIUJLS-IAGOWNOFSA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001160883492 1311803344 /nfs/dbraw/zinc/80/33/44/1311803344.db2.gz OUJXYJRDLWBBAM-OAHLLOKOSA-N 1 3 327.419 2.560 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@@H]1C[NH2+]CC1CCC1 ZINC001048481617 1311812343 /nfs/dbraw/zinc/81/23/43/1311812343.db2.gz ZYIQGYFVPWALCH-APWZRJJASA-N 1 3 343.515 2.846 20 0 EFADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160939551 1311815294 /nfs/dbraw/zinc/81/52/94/1311815294.db2.gz BQQKHXVCENDMSI-IAGOWNOFSA-N 1 3 349.425 2.503 20 0 EFADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160939551 1311815297 /nfs/dbraw/zinc/81/52/97/1311815297.db2.gz BQQKHXVCENDMSI-IAGOWNOFSA-N 1 3 349.425 2.503 20 0 EFADHO CC[C@H](C)[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160957951 1311821049 /nfs/dbraw/zinc/82/10/49/1311821049.db2.gz WCGUNBCQLJCCII-QGZVKYPTSA-N 1 3 345.531 2.990 20 0 EFADHO C[C@@H]1CCC[NH2+][C@@H]1C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160958015 1311821413 /nfs/dbraw/zinc/82/14/13/1311821413.db2.gz WTWSOSKCYWTTNL-HNJRGHQBSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC001413458410 1311828864 /nfs/dbraw/zinc/82/88/64/1311828864.db2.gz HHXKHKPUTWMOCZ-MISYRCLQSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC001413458410 1311828866 /nfs/dbraw/zinc/82/88/66/1311828866.db2.gz HHXKHKPUTWMOCZ-MISYRCLQSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001227619077 1311831480 /nfs/dbraw/zinc/83/14/80/1311831480.db2.gz MQHJIDBGECPSRQ-LJQANCHMSA-N 1 3 349.494 2.756 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC001227703705 1311842313 /nfs/dbraw/zinc/84/23/13/1311842313.db2.gz MASISVBWECQOPW-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl)C1(C)CC[NH2+]CC1 ZINC001161072840 1311852154 /nfs/dbraw/zinc/85/21/54/1311852154.db2.gz HFSYGDQIAQSCFO-CQSZACIVSA-N 1 3 344.286 2.984 20 0 EFADHO C[NH+]1CCC(C(=O)NCCC2=CCN(Cc3ccsc3)CC2)CC1 ZINC001161084516 1311854264 /nfs/dbraw/zinc/85/42/64/1311854264.db2.gz OHVQBHSEDVNUGH-UHFFFAOYSA-N 1 3 347.528 2.728 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](Cc3ccc(CF)cc3)CC2)CCC1 ZINC001227792007 1311856545 /nfs/dbraw/zinc/85/65/45/1311856545.db2.gz JMLVJFBISKOFGE-UHFFFAOYSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001227797969 1311858072 /nfs/dbraw/zinc/85/80/72/1311858072.db2.gz QBGYGLAWBKRCIY-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC001227817533 1311860730 /nfs/dbraw/zinc/86/07/30/1311860730.db2.gz MHKMBBLRPGCIAF-FQEVSTJZSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048525969 1311862636 /nfs/dbraw/zinc/86/26/36/1311862636.db2.gz HKBKDCNWNYGCPK-FCGDIQPGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048525969 1311862640 /nfs/dbraw/zinc/86/26/40/1311862640.db2.gz HKBKDCNWNYGCPK-FCGDIQPGSA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)N(C)C ZINC001161139974 1311867649 /nfs/dbraw/zinc/86/76/49/1311867649.db2.gz AGQLGMDTEALVCJ-HXUWFJFHSA-N 1 3 343.515 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)N(C)C ZINC001161139974 1311867651 /nfs/dbraw/zinc/86/76/51/1311867651.db2.gz AGQLGMDTEALVCJ-HXUWFJFHSA-N 1 3 343.515 2.911 20 0 EFADHO CC[C@@H](F)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC001227900939 1311871614 /nfs/dbraw/zinc/87/16/14/1311871614.db2.gz SJGOFPSLKLZTFW-BZUAXINKSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCc3ccccc32)CC1)N(C)C ZINC001227900469 1311871761 /nfs/dbraw/zinc/87/17/61/1311871761.db2.gz VANQSNDJKGTZOT-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001161390606 1311877032 /nfs/dbraw/zinc/87/70/32/1311877032.db2.gz IBGAAWPZRJTFJO-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161390606 1311877035 /nfs/dbraw/zinc/87/70/35/1311877035.db2.gz IBGAAWPZRJTFJO-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO N[C@H](CC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC001161413880 1311882511 /nfs/dbraw/zinc/88/25/11/1311882511.db2.gz RREZGJOTRYQJSL-WZZPKWGDSA-N 1 3 342.270 2.579 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+](Cc2ccc(C)c(C)c2)CC1)N(C)C ZINC001227979768 1311883243 /nfs/dbraw/zinc/88/32/43/1311883243.db2.gz JNHKVSHVCBRUCM-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015053426 1311883460 /nfs/dbraw/zinc/88/34/60/1311883460.db2.gz QZHMVRJMXRSAGP-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015053426 1311883462 /nfs/dbraw/zinc/88/34/62/1311883462.db2.gz QZHMVRJMXRSAGP-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015052826 1311883524 /nfs/dbraw/zinc/88/35/24/1311883524.db2.gz OCFLASUXSYCIFG-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015052826 1311883526 /nfs/dbraw/zinc/88/35/26/1311883526.db2.gz OCFLASUXSYCIFG-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001015054144 1311884653 /nfs/dbraw/zinc/88/46/53/1311884653.db2.gz UVQMENXOSNSPHV-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001015054144 1311884657 /nfs/dbraw/zinc/88/46/57/1311884657.db2.gz UVQMENXOSNSPHV-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161429579 1311886918 /nfs/dbraw/zinc/88/69/18/1311886918.db2.gz UMVJQXMHEKQYGH-IBGZPJMESA-N 1 3 329.488 2.675 20 0 EFADHO CN(C)CCN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001161442998 1311890609 /nfs/dbraw/zinc/89/06/09/1311890609.db2.gz KCTMUIGMCTXRNI-HXUWFJFHSA-N 1 3 339.483 2.525 20 0 EFADHO CN(C)CCN(C(=O)Cc1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC001161442956 1311891123 /nfs/dbraw/zinc/89/11/23/1311891123.db2.gz JIULUQWXCBXGJS-INIZCTEOSA-N 1 3 345.512 2.586 20 0 EFADHO CN(C)CCN(C(=O)/C=C/c1cc2ccccc2o1)[C@@H]1CCC[NH2+]C1 ZINC001161446683 1311891682 /nfs/dbraw/zinc/89/16/82/1311891682.db2.gz TXMXRCFTGVLZBZ-OAGJVSPASA-N 1 3 341.455 2.588 20 0 EFADHO CN(C)CCN(C(=O)c1cccc2ccsc21)[C@@H]1CCC[NH2+]C1 ZINC001161450111 1311892878 /nfs/dbraw/zinc/89/28/78/1311892878.db2.gz AWKKDVDUPWAYIX-OAHLLOKOSA-N 1 3 331.485 2.657 20 0 EFADHO C[C@]1(C[NH3+])CCCN(C(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)C1 ZINC001161488656 1311899249 /nfs/dbraw/zinc/89/92/49/1311899249.db2.gz NRHKTNPUVGJWLD-GOEBONIOSA-N 1 3 343.393 2.683 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](Cc2cccc(C)c2)CC1 ZINC001161504997 1311902695 /nfs/dbraw/zinc/90/26/95/1311902695.db2.gz XGXUZGRMQCASMV-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](Cc2cccc(C)c2)CC1 ZINC001161504997 1311902698 /nfs/dbraw/zinc/90/26/98/1311902698.db2.gz XGXUZGRMQCASMV-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015088923 1311903923 /nfs/dbraw/zinc/90/39/23/1311903923.db2.gz GBNRQSROAMQWKQ-HKUYNNGSSA-N 1 3 341.499 2.875 20 0 EFADHO Cc1ccc(C)c(CN2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001015090554 1311905031 /nfs/dbraw/zinc/90/50/31/1311905031.db2.gz QCDXSHRMQGGSMB-LJQANCHMSA-N 1 3 341.499 2.622 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC001228254747 1311920463 /nfs/dbraw/zinc/92/04/63/1311920463.db2.gz GZUZGJGZTXRZPO-QZTJIDSGSA-N 1 3 335.467 2.685 20 0 EFADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1Cl ZINC001228366277 1311937128 /nfs/dbraw/zinc/93/71/28/1311937128.db2.gz OJIZXKXKJVUZFP-IAGOWNOFSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1)N(C)C ZINC001228647263 1311974985 /nfs/dbraw/zinc/97/49/85/1311974985.db2.gz QGEVKLMPHVDRCM-QRVBRYPASA-N 1 3 331.504 2.852 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001228647774 1311975460 /nfs/dbraw/zinc/97/54/60/1311975460.db2.gz ZBTKBRODRQTDCZ-FSQQNCNXSA-N 1 3 329.916 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1)N(C)C ZINC001228661494 1311977555 /nfs/dbraw/zinc/97/75/55/1311977555.db2.gz VZHOTTGTEVXVSM-AQNXPRMDSA-N 1 3 345.531 2.895 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001228661898 1311977754 /nfs/dbraw/zinc/97/77/54/1311977754.db2.gz ZSNDLRXQJCEKAJ-QRVBRYPASA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cccc(C[N@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)c1 ZINC001161874958 1311992548 /nfs/dbraw/zinc/99/25/48/1311992548.db2.gz OGWNOTFNCJZFHW-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)CN3CCCC3)CC2)c1 ZINC001161874958 1311992552 /nfs/dbraw/zinc/99/25/52/1311992552.db2.gz OGWNOTFNCJZFHW-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO C[NH+](C)CC1(C(=O)NC2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC001228864094 1312011765 /nfs/dbraw/zinc/01/17/65/1312011765.db2.gz AUGRQRLTUYBCEQ-TWGQIWQCSA-N 1 3 341.499 2.622 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001161953648 1312013058 /nfs/dbraw/zinc/01/30/58/1312013058.db2.gz ZAYPQXBOCFDRJL-SJLPKXTDSA-N 1 3 339.499 2.747 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161953648 1312013061 /nfs/dbraw/zinc/01/30/61/1312013061.db2.gz ZAYPQXBOCFDRJL-SJLPKXTDSA-N 1 3 339.499 2.747 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001228879174 1312014269 /nfs/dbraw/zinc/01/42/69/1312014269.db2.gz IHVBWFUMQRACQV-POHAHGRESA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)Oc1cccc(CN2CCC(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001228992444 1312032901 /nfs/dbraw/zinc/03/29/01/1312032901.db2.gz SHQWDMOQZIACTC-UHFFFAOYSA-N 1 3 347.503 2.506 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CC2CC(C)(C)C2)CC1)CC(C)(C)C ZINC001229215322 1312062545 /nfs/dbraw/zinc/06/25/45/1312062545.db2.gz PWZAHGVYUZTXKL-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2C)CC1)N(C)C ZINC001229232906 1312065223 /nfs/dbraw/zinc/06/52/23/1312065223.db2.gz AICQVUNPBGNABK-LPHOPBHVSA-N 1 3 331.504 2.977 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC001229232073 1312065260 /nfs/dbraw/zinc/06/52/60/1312065260.db2.gz XLVFIJLRJWLZMP-IAGOWNOFSA-N 1 3 337.533 2.915 20 0 EFADHO CN(C)Cc1ccnc(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162197481 1312065741 /nfs/dbraw/zinc/06/57/41/1312065741.db2.gz GVSHFASNINLIRA-WGSAOQKQSA-N 1 3 339.487 2.815 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1)N(C)C ZINC001229253849 1312068464 /nfs/dbraw/zinc/06/84/64/1312068464.db2.gz LHHZCBFQOORRHL-KXBFYZLASA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001229254581 1312068552 /nfs/dbraw/zinc/06/85/52/1312068552.db2.gz VYQXUUXRKDDHSU-IBGZPJMESA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1)N(C)C ZINC001229254190 1312068596 /nfs/dbraw/zinc/06/85/96/1312068596.db2.gz QAEOUICUQBZDJI-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N1CCN(c2ccc(NC[C@@H]3CCC[NH2+]C[C@@H]3C)cn2)CC1 ZINC001162456126 1312107006 /nfs/dbraw/zinc/10/70/06/1312107006.db2.gz GGQVFRGDGQBLHA-ROUUACIJSA-N 1 3 345.535 2.660 20 0 EFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800994 1312118508 /nfs/dbraw/zinc/11/85/08/1312118508.db2.gz YMLBJHJZIDZTGR-HIFRSBDPSA-N 1 3 345.409 2.988 20 0 EFADHO C[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800994 1312118511 /nfs/dbraw/zinc/11/85/11/1312118511.db2.gz YMLBJHJZIDZTGR-HIFRSBDPSA-N 1 3 345.409 2.988 20 0 EFADHO C[N@H+]1CC[C@H]2CN(Cc3csc(-c4ccncc4)n3)C[C@H]2CC1 ZINC001277423197 1312145586 /nfs/dbraw/zinc/14/55/86/1312145586.db2.gz PFHTZDXXJFDEOS-IYBDPMFKSA-N 1 3 328.485 2.979 20 0 EFADHO C[N@@H+]1CC[C@H]2CN(Cc3csc(-c4ccncc4)n3)C[C@H]2CC1 ZINC001277423197 1312145587 /nfs/dbraw/zinc/14/55/87/1312145587.db2.gz PFHTZDXXJFDEOS-IYBDPMFKSA-N 1 3 328.485 2.979 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC001229868777 1312151721 /nfs/dbraw/zinc/15/17/21/1312151721.db2.gz NUMHJDVTWPJSEY-IAGOWNOFSA-N 1 3 337.533 2.649 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001229869122 1312152000 /nfs/dbraw/zinc/15/20/00/1312152000.db2.gz YGUHPWOTKUXOGR-ARFHVFGLSA-N 1 3 345.478 2.781 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001229909481 1312158439 /nfs/dbraw/zinc/15/84/39/1312158439.db2.gz XDHSOZSCSKHJKG-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC001229909481 1312158442 /nfs/dbraw/zinc/15/84/42/1312158442.db2.gz XDHSOZSCSKHJKG-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H](N)c1nc2ccccc2n1-c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001162766880 1312171897 /nfs/dbraw/zinc/17/18/97/1312171897.db2.gz RAIDKNPDMJGRJU-WFASDCNBSA-N 1 3 347.426 2.512 20 0 EFADHO CC[C@H](C(=O)N(CC[NH2+]CCC1CC1)CCc1ccccc1)N(C)C ZINC001162841142 1312188044 /nfs/dbraw/zinc/18/80/44/1312188044.db2.gz NRAJFBMSVFOLDC-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC001230112812 1312188565 /nfs/dbraw/zinc/18/85/65/1312188565.db2.gz BEWRNHXJCXLDRE-UHFFFAOYSA-N 1 3 337.533 2.603 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001230112849 1312188610 /nfs/dbraw/zinc/18/86/10/1312188610.db2.gz CXAAXZZMHHYKAS-OAHLLOKOSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCCc2ccccc2)CC1 ZINC001230113136 1312189301 /nfs/dbraw/zinc/18/93/01/1312189301.db2.gz SWYSXPTVOBOAHH-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC001230115358 1312189983 /nfs/dbraw/zinc/18/99/83/1312189983.db2.gz QQDFNBUSBZHHJJ-LJQANCHMSA-N 1 3 347.478 2.735 20 0 EFADHO CC1CCC(C[N@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)CC1 ZINC001048860007 1312202820 /nfs/dbraw/zinc/20/28/20/1312202820.db2.gz CNTWVEVRWJCUHZ-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@H]3CN(C(=O)C4(N(C)C)CCC4)C[C@H]3C2)CC1 ZINC001048860007 1312202822 /nfs/dbraw/zinc/20/28/22/1312202822.db2.gz CNTWVEVRWJCUHZ-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCC4=CCCCC4)C[C@@H]3C2)CCC1 ZINC001048860394 1312203270 /nfs/dbraw/zinc/20/32/70/1312203270.db2.gz RWQNSQREWMLGGY-KDURUIRLSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCC4=CCCCC4)C[C@@H]3C2)CCC1 ZINC001048860394 1312203273 /nfs/dbraw/zinc/20/32/73/1312203273.db2.gz RWQNSQREWMLGGY-KDURUIRLSA-N 1 3 345.531 2.751 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597072 1312203726 /nfs/dbraw/zinc/20/37/26/1312203726.db2.gz LOQPCELLGBAUDV-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(CCc3ccccc3)C2)C1 ZINC001015597072 1312203730 /nfs/dbraw/zinc/20/37/30/1312203730.db2.gz LOQPCELLGBAUDV-UXHICEINSA-N 1 3 343.515 2.542 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597589 1312205010 /nfs/dbraw/zinc/20/50/10/1312205010.db2.gz VQAYVVZHPDBNHZ-IAGOWNOFSA-N 1 3 349.544 2.603 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CCc3cccs3)C2)C1 ZINC001015597589 1312205014 /nfs/dbraw/zinc/20/50/14/1312205014.db2.gz VQAYVVZHPDBNHZ-IAGOWNOFSA-N 1 3 349.544 2.603 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH2+]CC1CCC1)CCc1ccccc1)N(C)C ZINC001162935203 1312206704 /nfs/dbraw/zinc/20/67/04/1312206704.db2.gz UFXXTLCCDPYLSK-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC001162934304 1312206856 /nfs/dbraw/zinc/20/68/56/1312206856.db2.gz AOXLOMWMLBMDRZ-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864510 1312206881 /nfs/dbraw/zinc/20/68/81/1312206881.db2.gz IHCIHDZEJULYPZ-KDURUIRLSA-N 1 3 345.531 2.751 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864510 1312206885 /nfs/dbraw/zinc/20/68/85/1312206885.db2.gz IHCIHDZEJULYPZ-KDURUIRLSA-N 1 3 345.531 2.751 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603780 1312209623 /nfs/dbraw/zinc/20/96/23/1312209623.db2.gz YGNZZPKNBQSGFA-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CCC2CC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603780 1312209626 /nfs/dbraw/zinc/20/96/26/1312209626.db2.gz YGNZZPKNBQSGFA-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015607089 1312211985 /nfs/dbraw/zinc/21/19/85/1312211985.db2.gz IJGVSSJPQGUHFX-QRFRQXIXSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001015607089 1312211988 /nfs/dbraw/zinc/21/19/88/1312211988.db2.gz IJGVSSJPQGUHFX-QRFRQXIXSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC001230284935 1312215450 /nfs/dbraw/zinc/21/54/50/1312215450.db2.gz YITSUFUIYWNGHL-RTBURBONSA-N 1 3 349.494 2.725 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875915 1312215912 /nfs/dbraw/zinc/21/59/12/1312215912.db2.gz UMAPNVJSQWRICJ-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001048875915 1312215916 /nfs/dbraw/zinc/21/59/16/1312215916.db2.gz UMAPNVJSQWRICJ-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001048876687 1312216759 /nfs/dbraw/zinc/21/67/59/1312216759.db2.gz ZYMIOUJBKKVIQP-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)N(C)C ZINC001048876687 1312216763 /nfs/dbraw/zinc/21/67/63/1312216763.db2.gz ZYMIOUJBKKVIQP-ZCNNSNEGSA-N 1 3 349.563 2.933 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001163006692 1312224440 /nfs/dbraw/zinc/22/44/40/1312224440.db2.gz JBHXVXZYGIARGH-FQEVSTJZSA-N 1 3 345.531 2.932 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1)N(C)C ZINC001048890012 1312229803 /nfs/dbraw/zinc/22/98/03/1312229803.db2.gz CZIDWACXNWXKAV-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1)N(C)C ZINC001048890012 1312229807 /nfs/dbraw/zinc/22/98/07/1312229807.db2.gz CZIDWACXNWXKAV-CEXWTWQISA-N 1 3 349.563 2.933 20 0 EFADHO Cc1ccccc1CCC[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230366860 1312230400 /nfs/dbraw/zinc/23/04/00/1312230400.db2.gz LODLXMWOKDMYGK-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001015648328 1312245009 /nfs/dbraw/zinc/24/50/09/1312245009.db2.gz GMHQXJXNJRVPNO-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2cccc(C)c2)nn1 ZINC001163129474 1312246937 /nfs/dbraw/zinc/24/69/37/1312246937.db2.gz ZVFKSNJLVSMRIO-UHFFFAOYSA-N 1 3 326.448 2.730 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1ccc(-c2ccc(C)cc2)nn1 ZINC001163128653 1312247034 /nfs/dbraw/zinc/24/70/34/1312247034.db2.gz OYBKXMJAHCWQMR-UHFFFAOYSA-N 1 3 326.448 2.730 20 0 EFADHO COC(=O)c1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000902972357 1312252771 /nfs/dbraw/zinc/25/27/71/1312252771.db2.gz CTMCQOKXAKOQQC-IAGOWNOFSA-N 1 3 348.487 2.933 20 0 EFADHO COC(=O)c1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000902972357 1312252774 /nfs/dbraw/zinc/25/27/74/1312252774.db2.gz CTMCQOKXAKOQQC-IAGOWNOFSA-N 1 3 348.487 2.933 20 0 EFADHO Cc1nc(N[C@@H]2CNCc3ccsc32)cc([C@@H]2CCC[NH2+]C2)n1 ZINC001163220882 1312266819 /nfs/dbraw/zinc/26/68/19/1312266819.db2.gz IXVWUONTZWQTSL-IUODEOHRSA-N 1 3 329.473 2.570 20 0 EFADHO C[NH+](C)Cc1c[nH]c2nccc(N[C@H]3CNCc4ccsc43)c12 ZINC001163230806 1312270686 /nfs/dbraw/zinc/27/06/86/1312270686.db2.gz RAGDZDWXTYEQQM-AWEZNQCLSA-N 1 3 327.457 2.942 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1)CC(C)(C)C ZINC001230606248 1312281474 /nfs/dbraw/zinc/28/14/74/1312281474.db2.gz VHBXPTZJCPLBOM-QGZVFWFLSA-N 1 3 341.515 2.637 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1)CC(C)(C)C ZINC001230606248 1312281477 /nfs/dbraw/zinc/28/14/77/1312281477.db2.gz VHBXPTZJCPLBOM-QGZVFWFLSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001015695225 1312283129 /nfs/dbraw/zinc/28/31/29/1312283129.db2.gz GZAOSNSBIKZEKQ-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001015695225 1312283132 /nfs/dbraw/zinc/28/31/32/1312283132.db2.gz GZAOSNSBIKZEKQ-QFBILLFUSA-N 1 3 339.499 2.580 20 0 EFADHO COc1cccc([C@H](C[NH3+])Nc2ncccc2CN2CCCC2)c1 ZINC001163314057 1312287385 /nfs/dbraw/zinc/28/73/85/1312287385.db2.gz UFJJIZTXERSJRO-SFHVURJKSA-N 1 3 326.444 2.798 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230628027 1312289546 /nfs/dbraw/zinc/28/95/46/1312289546.db2.gz FXFFUFBOIDBZQA-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230628027 1312289550 /nfs/dbraw/zinc/28/95/50/1312289550.db2.gz FXFFUFBOIDBZQA-LJQANCHMSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705660 1312290091 /nfs/dbraw/zinc/29/00/91/1312290091.db2.gz NQWTZVSLILTKQC-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001015705660 1312290095 /nfs/dbraw/zinc/29/00/95/1312290095.db2.gz NQWTZVSLILTKQC-APWZRJJASA-N 1 3 341.515 2.826 20 0 EFADHO Fc1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1CN1CCCC1 ZINC001163332499 1312291947 /nfs/dbraw/zinc/29/19/47/1312291947.db2.gz KEYCIIUFYFJXTR-HKUYNNGSSA-N 1 3 333.451 2.745 20 0 EFADHO Fc1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1CN1CCCC1 ZINC001163332503 1312291977 /nfs/dbraw/zinc/29/19/77/1312291977.db2.gz KEYCIIUFYFJXTR-MJGOQNOKSA-N 1 3 333.451 2.745 20 0 EFADHO CCOC(=O)N[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)CC(C)C ZINC000903065437 1312321179 /nfs/dbraw/zinc/32/11/79/1312321179.db2.gz FAMAFAJUSSSPRO-PDOIAVGCSA-N 1 3 337.508 2.895 20 0 EFADHO CCOC(=O)N[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)CC(C)C ZINC000903065437 1312321182 /nfs/dbraw/zinc/32/11/82/1312321182.db2.gz FAMAFAJUSSSPRO-PDOIAVGCSA-N 1 3 337.508 2.895 20 0 EFADHO C[C@H](NC1CC[NH+](CC2CC2)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903074919 1312329178 /nfs/dbraw/zinc/32/91/78/1312329178.db2.gz PSWFBDBIWCQQES-AWEZNQCLSA-N 1 3 337.508 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001015792411 1312360892 /nfs/dbraw/zinc/36/08/92/1312360892.db2.gz WTOVEALHVAUPOV-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001015792411 1312360895 /nfs/dbraw/zinc/36/08/95/1312360895.db2.gz WTOVEALHVAUPOV-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001015791893 1312361181 /nfs/dbraw/zinc/36/11/81/1312361181.db2.gz OTCSVPAIDZGAJR-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001015791893 1312361183 /nfs/dbraw/zinc/36/11/83/1312361183.db2.gz OTCSVPAIDZGAJR-FUHWJXTLSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795503 1312365627 /nfs/dbraw/zinc/36/56/27/1312365627.db2.gz RBPWKBIFYBWEKG-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795503 1312365631 /nfs/dbraw/zinc/36/56/31/1312365631.db2.gz RBPWKBIFYBWEKG-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001015795503 1312365635 /nfs/dbraw/zinc/36/56/35/1312365635.db2.gz RBPWKBIFYBWEKG-UYAOXDASSA-N 1 3 343.515 2.684 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCCc3ccsc3)C2)CC1 ZINC001015797199 1312367422 /nfs/dbraw/zinc/36/74/22/1312367422.db2.gz ZKNOYVIZOHESIW-SFHVURJKSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CC2(CCNC(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001163820607 1312387482 /nfs/dbraw/zinc/38/74/82/1312387482.db2.gz GMZMRLMFFLILHH-SFHVURJKSA-N 1 3 347.478 2.604 20 0 EFADHO Cc1ccccc1CN1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277470964 1312391265 /nfs/dbraw/zinc/39/12/65/1312391265.db2.gz ZKRGBGHMUHDZQF-NQIIRXRSSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1ccccc1CN1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277470962 1312391454 /nfs/dbraw/zinc/39/14/54/1312391454.db2.gz ZKRGBGHMUHDZQF-GHTZIAJQSA-N 1 3 341.499 2.512 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@@H]2C1)N(C)C ZINC001049039555 1312391751 /nfs/dbraw/zinc/39/17/51/1312391751.db2.gz SVZIKVLYUDLNIJ-CEXWTWQISA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@@H]2C1)N(C)C ZINC001049039555 1312391755 /nfs/dbraw/zinc/39/17/55/1312391755.db2.gz SVZIKVLYUDLNIJ-CEXWTWQISA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)CC[N@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230931619 1312395128 /nfs/dbraw/zinc/39/51/28/1312395128.db2.gz CJAWZMUAVWDTEA-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO CC(C)CC[N@@H+](CCCNC(=O)CN(C)C(C)C)Cc1cccnc1 ZINC001230931619 1312395130 /nfs/dbraw/zinc/39/51/30/1312395130.db2.gz CJAWZMUAVWDTEA-UHFFFAOYSA-N 1 3 348.535 2.776 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCCC4)C[C@@H]3C2)C1 ZINC001049058531 1312412869 /nfs/dbraw/zinc/41/28/69/1312412869.db2.gz FWNXDWDZWNXJDN-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCCC4)C[C@@H]3C2)C1 ZINC001049058531 1312412871 /nfs/dbraw/zinc/41/28/71/1312412871.db2.gz FWNXDWDZWNXJDN-YSIASYRMSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057680 1312413136 /nfs/dbraw/zinc/41/31/36/1312413136.db2.gz QMRPYBNZHZHBDV-LFGUQSLTSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C1 ZINC001049057680 1312413139 /nfs/dbraw/zinc/41/31/39/1312413139.db2.gz QMRPYBNZHZHBDV-LFGUQSLTSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057678 1312413179 /nfs/dbraw/zinc/41/31/79/1312413179.db2.gz QMRPYBNZHZHBDV-KVPLUYHFSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC[C@@H]3C)C[C@H]2C1 ZINC001049057678 1312413184 /nfs/dbraw/zinc/41/31/84/1312413184.db2.gz QMRPYBNZHZHBDV-KVPLUYHFSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059574 1312414060 /nfs/dbraw/zinc/41/40/60/1312414060.db2.gz VLSOAAFBACODSU-YSIASYRMSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4=CCCCC4)C[C@@H]3C2)C1 ZINC001049059574 1312414062 /nfs/dbraw/zinc/41/40/62/1312414062.db2.gz VLSOAAFBACODSU-YSIASYRMSA-N 1 3 345.531 2.609 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001049065439 1312418584 /nfs/dbraw/zinc/41/85/84/1312418584.db2.gz SINMHROQCUTKOT-XSYGEPLQSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@@H]2C1)N(C)C ZINC001049065439 1312418587 /nfs/dbraw/zinc/41/85/87/1312418587.db2.gz SINMHROQCUTKOT-XSYGEPLQSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001049066006 1312418801 /nfs/dbraw/zinc/41/88/01/1312418801.db2.gz CJEXMBHKKMVJTJ-LMCOJAPRSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001049066006 1312418804 /nfs/dbraw/zinc/41/88/04/1312418804.db2.gz CJEXMBHKKMVJTJ-LMCOJAPRSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001049067090 1312419773 /nfs/dbraw/zinc/41/97/73/1312419773.db2.gz QIPLAJIAGNKIAQ-JEWRLFTDSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001049067090 1312419775 /nfs/dbraw/zinc/41/97/75/1312419775.db2.gz QIPLAJIAGNKIAQ-JEWRLFTDSA-N 1 3 347.478 2.617 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903205531 1312461905 /nfs/dbraw/zinc/46/19/05/1312461905.db2.gz CKAPIWCUHKFQFS-GJZGRUSLSA-N 1 3 325.497 2.754 20 0 EFADHO CN(C)C1(CNc2ccc(Br)cc2)CC[NH+](C)CC1 ZINC001164210582 1312468588 /nfs/dbraw/zinc/46/85/88/1312468588.db2.gz FDITZVJDCONMLQ-UHFFFAOYSA-N 1 3 326.282 2.887 20 0 EFADHO C[C@H]1CCCCN1c1cccc(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164210455 1312468663 /nfs/dbraw/zinc/46/86/63/1312468663.db2.gz DHIKZRBVSJDNHL-KRWDZBQOSA-N 1 3 345.535 2.898 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997509 1312500065 /nfs/dbraw/zinc/50/00/65/1312500065.db2.gz DALVJEHRSNZVBB-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997509 1312500069 /nfs/dbraw/zinc/50/00/69/1312500069.db2.gz DALVJEHRSNZVBB-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997507 1312500094 /nfs/dbraw/zinc/50/00/94/1312500094.db2.gz DALVJEHRSNZVBB-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997507 1312500096 /nfs/dbraw/zinc/50/00/96/1312500096.db2.gz DALVJEHRSNZVBB-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998216 1312500896 /nfs/dbraw/zinc/50/08/96/1312500896.db2.gz MWJDUZIKFOVEBT-FXAWDEMLSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccc(C4CC4)cc3)C2)C1 ZINC001015998216 1312500899 /nfs/dbraw/zinc/50/08/99/1312500899.db2.gz MWJDUZIKFOVEBT-FXAWDEMLSA-N 1 3 341.499 2.596 20 0 EFADHO CC[N@H+](CCCN(C)C)Cc1ccc(OC)c(OCCCOC)c1 ZINC001231610749 1312531008 /nfs/dbraw/zinc/53/10/08/1312531008.db2.gz RDSATNMCDJXQLA-UHFFFAOYSA-N 1 3 338.492 2.884 20 0 EFADHO CC[N@@H+](CCCN(C)C)Cc1ccc(OC)c(OCCCOC)c1 ZINC001231610749 1312531011 /nfs/dbraw/zinc/53/10/11/1312531011.db2.gz RDSATNMCDJXQLA-UHFFFAOYSA-N 1 3 338.492 2.884 20 0 EFADHO C[C@@H](F)CC[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536625 1312535133 /nfs/dbraw/zinc/53/51/33/1312535133.db2.gz OSVLFOHHKOHLJH-MRXNPFEDSA-N 1 3 341.515 2.875 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1coc(-c2ccccc2)n1 ZINC001231631915 1312536151 /nfs/dbraw/zinc/53/61/51/1312536151.db2.gz ZLVXFAFDXPEFMV-RBUKOAKNSA-N 1 3 340.471 2.552 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1coc(-c2ccccc2)n1 ZINC001231631915 1312536154 /nfs/dbraw/zinc/53/61/54/1312536154.db2.gz ZLVXFAFDXPEFMV-RBUKOAKNSA-N 1 3 340.471 2.552 20 0 EFADHO CC(C)(C)OC(=O)CC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277553440 1312553036 /nfs/dbraw/zinc/55/30/36/1312553036.db2.gz HCLSRDAYWVKPPB-CALCHBBNSA-N 1 3 347.503 2.890 20 0 EFADHO CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277553440 1312553038 /nfs/dbraw/zinc/55/30/38/1312553038.db2.gz HCLSRDAYWVKPPB-CALCHBBNSA-N 1 3 347.503 2.890 20 0 EFADHO CN(Cc1ccc(N2C[C@@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)nc1)C1CC1 ZINC001165167598 1312580525 /nfs/dbraw/zinc/58/05/25/1312580525.db2.gz DKKKVXOQVLABIX-UGKGYDQZSA-N 1 3 348.494 2.653 20 0 EFADHO c1ccc([C@]23C[NH2+]C[C@@H]2CN(c2ncccc2CN2CCCC2)C3)cc1 ZINC001165169417 1312580733 /nfs/dbraw/zinc/58/07/33/1312580733.db2.gz QABMXJBJGJZIJB-IFMALSPDSA-N 1 3 348.494 2.655 20 0 EFADHO C[C@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@@H](C)CN1Cc1ccccc1 ZINC001165202056 1312585288 /nfs/dbraw/zinc/58/52/88/1312585288.db2.gz RMGGNARPKHVCJX-IRXDYDNUSA-N 1 3 336.483 2.827 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC[C@@H]3CCC[N@H+](C)C3)cn2)CC1 ZINC001165279083 1312601356 /nfs/dbraw/zinc/60/13/56/1312601356.db2.gz PIQBHXDBTRONPH-SFHVURJKSA-N 1 3 345.535 2.756 20 0 EFADHO CC(C)N1CCN(c2ccc(NCC[C@@H]3CCC[N@@H+](C)C3)cn2)CC1 ZINC001165279083 1312601360 /nfs/dbraw/zinc/60/13/60/1312601360.db2.gz PIQBHXDBTRONPH-SFHVURJKSA-N 1 3 345.535 2.756 20 0 EFADHO C[N@@H+]1CCC[C@@H](CCNc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001165289486 1312603594 /nfs/dbraw/zinc/60/35/94/1312603594.db2.gz CRUCQFBFHXTQSZ-QFBILLFUSA-N 1 3 342.487 2.744 20 0 EFADHO C[N@H+]1CCC[C@@H](CCNc2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001165289486 1312603598 /nfs/dbraw/zinc/60/35/98/1312603598.db2.gz CRUCQFBFHXTQSZ-QFBILLFUSA-N 1 3 342.487 2.744 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232372 1312606999 /nfs/dbraw/zinc/60/69/99/1312606999.db2.gz UMMUXGCDVLEBDM-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001049232372 1312607002 /nfs/dbraw/zinc/60/70/02/1312607002.db2.gz UMMUXGCDVLEBDM-TZRIAGMCSA-N 1 3 347.547 2.830 20 0 EFADHO Clc1cc(N2CCCC[C@H]2C2CC[NH2+]CC2)c2c(n1)CNCC2 ZINC001165322435 1312609119 /nfs/dbraw/zinc/60/91/19/1312609119.db2.gz JJERARMJKBKUTB-INIZCTEOSA-N 1 3 334.895 2.739 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049234018 1312609290 /nfs/dbraw/zinc/60/92/90/1312609290.db2.gz VNJBCCIDHQSENK-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@@H]2C1 ZINC001049234018 1312609292 /nfs/dbraw/zinc/60/92/92/1312609292.db2.gz VNJBCCIDHQSENK-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO c1nc(C2C[NH2+]C2)c2ccc(NCC3CN(Cc4ccccc4)C3)cn12 ZINC001165442874 1312631990 /nfs/dbraw/zinc/63/19/90/1312631990.db2.gz RQJJCHJWXNIRRL-UHFFFAOYSA-N 1 3 347.466 2.565 20 0 EFADHO C[NH+](C)Cc1cc(F)cc(CN2CCC(C(C)(C)C(N)=O)CC2)c1 ZINC001232146162 1312633348 /nfs/dbraw/zinc/63/33/48/1312633348.db2.gz JUCGAAJGDSYIKO-UHFFFAOYSA-N 1 3 335.467 2.611 20 0 EFADHO CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(F)cc(C[NH+](C)C)c2)C1 ZINC001232145879 1312633548 /nfs/dbraw/zinc/63/35/48/1312633548.db2.gz ZGAZUJYXACSUCO-GOSISDBHSA-N 1 3 349.494 2.968 20 0 EFADHO CC(=O)N1CCC2(C1)CCN(Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232144941 1312633573 /nfs/dbraw/zinc/63/35/73/1312633573.db2.gz OVXCTKLFGAGREU-UHFFFAOYSA-N 1 3 347.478 2.722 20 0 EFADHO CC[C@@H]1N(Cc2cc(F)cc(C[NH+](C)C)c2)CCC[C@]12CCC(=O)N2 ZINC001232148865 1312634024 /nfs/dbraw/zinc/63/40/24/1312634024.db2.gz LJAQBPKKLJTYAD-ICSRJNTNSA-N 1 3 347.478 2.911 20 0 EFADHO CCN1CC[C@]2(CCC[N@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147512 1312634353 /nfs/dbraw/zinc/63/43/53/1312634353.db2.gz AZNRCIKFTYDYPV-FQEVSTJZSA-N 1 3 347.478 2.722 20 0 EFADHO CCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)cc(CN(C)C)c3)C2)C1=O ZINC001232147512 1312634356 /nfs/dbraw/zinc/63/43/56/1312634356.db2.gz AZNRCIKFTYDYPV-FQEVSTJZSA-N 1 3 347.478 2.722 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]CCc2cccs2)CC1)C1CC1 ZINC001165484980 1312636213 /nfs/dbraw/zinc/63/62/13/1312636213.db2.gz IYLFSEJQSOQNMO-QGZVFWFLSA-N 1 3 349.544 2.507 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)[C@H](C3CC3)N(C)C)CC2)cc1 ZINC001165484967 1312636339 /nfs/dbraw/zinc/63/63/39/1312636339.db2.gz IVYDKENNFZMIRG-IBGZPJMESA-N 1 3 343.515 2.711 20 0 EFADHO Cc1cc(C[NH2+]CC2(CCNC(=O)CN(C)C3CCC3)CC2)cs1 ZINC001165501638 1312639279 /nfs/dbraw/zinc/63/92/79/1312639279.db2.gz OBVHZMVPSYAFRD-UHFFFAOYSA-N 1 3 349.544 2.917 20 0 EFADHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232190946 1312645342 /nfs/dbraw/zinc/64/53/42/1312645342.db2.gz WSJNVUUUPBIMGN-HNNXBMFYSA-N 1 3 347.484 2.992 20 0 EFADHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232190946 1312645345 /nfs/dbraw/zinc/64/53/45/1312645345.db2.gz WSJNVUUUPBIMGN-HNNXBMFYSA-N 1 3 347.484 2.992 20 0 EFADHO CC(C)CCC[NH2+]CC1(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001165616772 1312653222 /nfs/dbraw/zinc/65/32/22/1312653222.db2.gz BGRXTXNUAKAPPI-KRWDZBQOSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052899089 1314459773 /nfs/dbraw/zinc/45/97/73/1314459773.db2.gz LSHLZNNEQNWPDC-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052899089 1314459777 /nfs/dbraw/zinc/45/97/77/1314459777.db2.gz LSHLZNNEQNWPDC-MRXNPFEDSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001052899088 1314460054 /nfs/dbraw/zinc/46/00/54/1314460054.db2.gz LSHLZNNEQNWPDC-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001052899088 1314460056 /nfs/dbraw/zinc/46/00/56/1314460056.db2.gz LSHLZNNEQNWPDC-INIZCTEOSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)CC1 ZINC001052898564 1314460103 /nfs/dbraw/zinc/46/01/03/1314460103.db2.gz DOLYCGIOJFOROG-SJLPKXTDSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001052898564 1314460105 /nfs/dbraw/zinc/46/01/05/1314460105.db2.gz DOLYCGIOJFOROG-SJLPKXTDSA-N 1 3 340.471 2.993 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241714 1314462485 /nfs/dbraw/zinc/46/24/85/1314462485.db2.gz WTNRQODPPVVGQR-ZWKOTPCHSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211249344 1314463119 /nfs/dbraw/zinc/46/31/19/1314463119.db2.gz LTIBXHOJZPZTJX-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001211251069 1314464378 /nfs/dbraw/zinc/46/43/78/1314464378.db2.gz ZITQIWBGQFVXDG-CXSQMQJXSA-N 1 3 335.879 2.695 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001211267538 1314466062 /nfs/dbraw/zinc/46/60/62/1314466062.db2.gz BVYXLOVHMAJRBJ-BQHJZSHBSA-N 1 3 329.488 2.621 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269640 1314466786 /nfs/dbraw/zinc/46/67/86/1314466786.db2.gz SOJCEDHRIMFQTB-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211268088 1314466960 /nfs/dbraw/zinc/46/69/60/1314466960.db2.gz GUOFBWDECOIWCA-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001211269649 1314467017 /nfs/dbraw/zinc/46/70/17/1314467017.db2.gz SRTFPEPLXFVGIX-ZDUSSCGKSA-N 1 3 343.924 2.822 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001211276839 1314468457 /nfs/dbraw/zinc/46/84/57/1314468457.db2.gz JCPIKNJDCYXEST-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC001211283232 1314468880 /nfs/dbraw/zinc/46/88/80/1314468880.db2.gz FTHPLKLDGBJSDU-INIZCTEOSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001211284133 1314469102 /nfs/dbraw/zinc/46/91/02/1314469102.db2.gz JFQLYQYEDOWXDG-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001211284551 1314469437 /nfs/dbraw/zinc/46/94/37/1314469437.db2.gz MWWDYQDEXBXZSP-GOSISDBHSA-N 1 3 342.487 2.589 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001211284502 1314469841 /nfs/dbraw/zinc/46/98/41/1314469841.db2.gz LKIOLLJFBSQMQZ-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1C[N@H+](CCCCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001211292258 1314470537 /nfs/dbraw/zinc/47/05/37/1314470537.db2.gz KHTIUMSWEDFQNK-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001211292258 1314470541 /nfs/dbraw/zinc/47/05/41/1314470541.db2.gz KHTIUMSWEDFQNK-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001211309382 1314472967 /nfs/dbraw/zinc/47/29/67/1314472967.db2.gz BZOKPHWFVVGZNE-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)N2CCCCC2)C1 ZINC001211374974 1314487007 /nfs/dbraw/zinc/48/70/07/1314487007.db2.gz UYMAOOONJWIMCJ-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C)N1CCCC1 ZINC001211376652 1314488091 /nfs/dbraw/zinc/48/80/91/1314488091.db2.gz NAFYEQFWDGSBMN-KURKYZTESA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C)N1CCCC1 ZINC001211376652 1314488095 /nfs/dbraw/zinc/48/80/95/1314488095.db2.gz NAFYEQFWDGSBMN-KURKYZTESA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001052933714 1314492837 /nfs/dbraw/zinc/49/28/37/1314492837.db2.gz DLKILHMHVAMHAM-ROUUACIJSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001052933714 1314492839 /nfs/dbraw/zinc/49/28/39/1314492839.db2.gz DLKILHMHVAMHAM-ROUUACIJSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001019812419 1314513189 /nfs/dbraw/zinc/51/31/89/1314513189.db2.gz NYKNSXVZCLWMGR-KRWDZBQOSA-N 1 3 343.496 2.814 20 0 EFADHO CC1CC(C[NH2+][C@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001019812625 1314513298 /nfs/dbraw/zinc/51/32/98/1314513298.db2.gz YUTZZLVWEJUTLH-HTWSVDAQSA-N 1 3 329.488 2.598 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)c1 ZINC001052954544 1314513522 /nfs/dbraw/zinc/51/35/22/1314513522.db2.gz OVMPRWGHLZVNNX-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](CCCF)CC2)c1 ZINC001052954544 1314513526 /nfs/dbraw/zinc/51/35/26/1314513526.db2.gz OVMPRWGHLZVNNX-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC001019815715 1314514919 /nfs/dbraw/zinc/51/49/19/1314514919.db2.gz LOOLTMPEWMVGME-IRXDYDNUSA-N 1 3 347.478 2.953 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001019820198 1314515421 /nfs/dbraw/zinc/51/54/21/1314515421.db2.gz ALFFFWIINXGQRC-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001019820626 1314515602 /nfs/dbraw/zinc/51/56/02/1314515602.db2.gz RKXNBYATMJWWPA-OALUTQOASA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001019820407 1314515677 /nfs/dbraw/zinc/51/56/77/1314515677.db2.gz IZOSHOCWOSDFKT-DLBZAZTESA-N 1 3 335.517 2.621 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001019820595 1314516145 /nfs/dbraw/zinc/51/61/45/1314516145.db2.gz QDVFIKVTOZEXSF-ROUUACIJSA-N 1 3 349.906 2.905 20 0 EFADHO CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001052985200 1314543050 /nfs/dbraw/zinc/54/30/50/1314543050.db2.gz BCAXDGKSEJYWCR-NXHRZFHOSA-N 1 3 339.499 2.674 20 0 EFADHO O=C(C1=CCCC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052988091 1314545019 /nfs/dbraw/zinc/54/50/19/1314545019.db2.gz XBOSDAZPHDZFGC-BGYRXZFFSA-N 1 3 343.515 2.646 20 0 EFADHO C/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052990039 1314546214 /nfs/dbraw/zinc/54/62/14/1314546214.db2.gz ISKLPBSTGVUGCB-WYOFYKISSA-N 1 3 331.504 2.502 20 0 EFADHO CC[C@@H]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052990418 1314546569 /nfs/dbraw/zinc/54/65/69/1314546569.db2.gz CIVPNSRRDCDVGQ-RSPOEFSDSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1C[C@H]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC2CC2)CC1 ZINC001052991182 1314547107 /nfs/dbraw/zinc/54/71/07/1314547107.db2.gz XFNKVYNTRIEBPT-VUBSUSDNSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H]1CC[C@@H](CNC[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC001245970263 1314556958 /nfs/dbraw/zinc/55/69/58/1314556958.db2.gz BPMRTZZCXGMBEC-SOLBZPMBSA-N 1 3 334.504 2.702 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)CN[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980559 1314559063 /nfs/dbraw/zinc/55/90/63/1314559063.db2.gz BUTIQWDEHJLFHT-JKEDJMADSA-N 1 3 326.525 2.558 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@@H]1CNC[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001245981457 1314559436 /nfs/dbraw/zinc/55/94/36/1314559436.db2.gz HAWSQNOHSYMYIS-JFIYKMOQSA-N 1 3 334.504 2.559 20 0 EFADHO CC(C)(CNC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1)c1ccccc1 ZINC001245987904 1314559840 /nfs/dbraw/zinc/55/98/40/1314559840.db2.gz MVTKAVUGFHRSAW-RBUKOAKNSA-N 1 3 348.437 2.763 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN[C@]2(C)CCC[NH2+]CC2)cc1 ZINC001245991347 1314561200 /nfs/dbraw/zinc/56/12/00/1314561200.db2.gz JYUBPEZVKSWYEI-YLJYHZDGSA-N 1 3 334.504 2.846 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]CC2(N)CCCCC2)cc1 ZINC001245995945 1314562575 /nfs/dbraw/zinc/56/25/75/1314562575.db2.gz UETVFPMFUDNTOP-KRWDZBQOSA-N 1 3 334.504 2.975 20 0 EFADHO Cc1ccccc1CC1(CNC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001245999494 1314562987 /nfs/dbraw/zinc/56/29/87/1314562987.db2.gz KJMYHGDHTXVZGE-LEWJYISDSA-N 1 3 338.495 2.838 20 0 EFADHO O[C@@]1(C[NH2+]C2(Cc3ccccc3C(F)(F)F)CCC2)CCCNC1 ZINC001246002397 1314563774 /nfs/dbraw/zinc/56/37/74/1314563774.db2.gz BIWQEGJEFHHBJZ-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@@]1(CNC2(Cc3ccccc3C(F)(F)F)CCC2)CCC[NH2+]C1 ZINC001246002397 1314563775 /nfs/dbraw/zinc/56/37/75/1314563775.db2.gz BIWQEGJEFHHBJZ-KRWDZBQOSA-N 1 3 342.405 2.875 20 0 EFADHO O[C@@]1(C[NH2+]CCc2ccc(CCc3ccccc3)cc2)CCCNC1 ZINC001246016616 1314565764 /nfs/dbraw/zinc/56/57/64/1314565764.db2.gz UFYKGIPIEJMVFI-QFIPXVFZSA-N 1 3 338.495 2.718 20 0 EFADHO O[C@@]1(CNCCc2ccc(CCc3ccccc3)cc2)CCC[NH2+]C1 ZINC001246016616 1314565769 /nfs/dbraw/zinc/56/57/69/1314565769.db2.gz UFYKGIPIEJMVFI-QFIPXVFZSA-N 1 3 338.495 2.718 20 0 EFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246020729 1314567045 /nfs/dbraw/zinc/56/70/45/1314567045.db2.gz JSZHMGJIHSSBIY-NUJGCVRESA-N 1 3 334.504 2.783 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CN2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001246023757 1314568104 /nfs/dbraw/zinc/56/81/04/1314568104.db2.gz SRELZSIVPHYDEQ-YLJYHZDGSA-N 1 3 334.504 2.927 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246026008 1314568551 /nfs/dbraw/zinc/56/85/51/1314568551.db2.gz YSPNAJMDZDUAAA-BZSNNMDCSA-N 1 3 332.504 2.733 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)C[N@H+]1CCCC[C@](F)(CN)C1 ZINC001246026008 1314568556 /nfs/dbraw/zinc/56/85/56/1314568556.db2.gz YSPNAJMDZDUAAA-BZSNNMDCSA-N 1 3 332.504 2.733 20 0 EFADHO C[C@](O)(CN1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1)c1ccccc1 ZINC001246037305 1314571766 /nfs/dbraw/zinc/57/17/66/1314571766.db2.gz RRZLMTYMOCFQDD-FSSWDIPSSA-N 1 3 336.479 2.973 20 0 EFADHO O[C@]1(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)CCCNC1 ZINC001246044738 1314572567 /nfs/dbraw/zinc/57/25/67/1314572567.db2.gz QHEJVTPGSQWQQV-QGZVFWFLSA-N 1 3 342.405 2.999 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCC(c2ccc(F)cc2)CC1 ZINC001246046310 1314573032 /nfs/dbraw/zinc/57/30/32/1314573032.db2.gz ZWZLVWNAKHNFDF-LEWJYISDSA-N 1 3 342.458 2.936 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@H](O)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001246046310 1314573037 /nfs/dbraw/zinc/57/30/37/1314573037.db2.gz ZWZLVWNAKHNFDF-LEWJYISDSA-N 1 3 342.458 2.936 20 0 EFADHO O[C@]1(C[NH+]2CCC(c3cccc(C(F)(F)F)c3)CC2)CCCNC1 ZINC001246046196 1314573339 /nfs/dbraw/zinc/57/33/39/1314573339.db2.gz YEMBVBBFQDARKK-QGZVFWFLSA-N 1 3 342.405 2.999 20 0 EFADHO CC1(c2ccccc2)CC[NH+](C[C@@H](O)[C@@H](N)Cc2ccccc2)CC1 ZINC001246065508 1314578254 /nfs/dbraw/zinc/57/82/54/1314578254.db2.gz WKSXAMWHRXTRQM-LEWJYISDSA-N 1 3 338.495 2.971 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](C[C@@]3(O)CCCNC3)C2)cc1 ZINC001246065107 1314578802 /nfs/dbraw/zinc/57/88/02/1314578802.db2.gz ODGSIWGPFBGTIO-FXAWDEMLSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](C[C@@]3(O)CCCNC3)C2)cc1 ZINC001246065107 1314578806 /nfs/dbraw/zinc/57/88/06/1314578806.db2.gz ODGSIWGPFBGTIO-FXAWDEMLSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)Oc1ccc([C@H]2CCN(C[C@@]3(O)CCC[NH2+]C3)C2)cc1 ZINC001246065107 1314578808 /nfs/dbraw/zinc/57/88/08/1314578808.db2.gz ODGSIWGPFBGTIO-FXAWDEMLSA-N 1 3 332.488 2.768 20 0 EFADHO CC(C)(C)C[N@H+](C[C@H](O)COc1cccc(F)c1)C1CCNCC1 ZINC001246070503 1314579201 /nfs/dbraw/zinc/57/92/01/1314579201.db2.gz RINVVDYMAQWKNK-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)C[N@@H+](C[C@H](O)COc1cccc(F)c1)C1CCNCC1 ZINC001246070503 1314579208 /nfs/dbraw/zinc/57/92/08/1314579208.db2.gz RINVVDYMAQWKNK-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO CC(C)(C)CN(C[C@H](O)COc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246070503 1314579211 /nfs/dbraw/zinc/57/92/11/1314579211.db2.gz RINVVDYMAQWKNK-KRWDZBQOSA-N 1 3 338.467 2.666 20 0 EFADHO c1ccc(C[C@H]2C[C@@H]([NH2+]CCc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246075567 1314580303 /nfs/dbraw/zinc/58/03/03/1314580303.db2.gz JYCJXCRHQGJHPA-OALUTQOASA-N 1 3 338.451 2.911 20 0 EFADHO O[C@@]1(C[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)CCNC[C@@H]1F ZINC001246081181 1314581286 /nfs/dbraw/zinc/58/12/86/1314581286.db2.gz IVXUYZMUASHBCN-UHOFOFEASA-N 1 3 347.261 2.503 20 0 EFADHO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089664 1314581789 /nfs/dbraw/zinc/58/17/89/1314581789.db2.gz RPAZQPVKUKANMD-KNXALSJPSA-N 1 3 349.277 2.967 20 0 EFADHO COc1ccc(Br)c(CCN[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC001246108634 1314583487 /nfs/dbraw/zinc/58/34/87/1314583487.db2.gz KLKCTFUNDHBRFB-YPMHNXCESA-N 1 3 327.266 2.730 20 0 EFADHO COc1ccc(Br)c(CC[NH2+][C@H]2CCN[C@H](C)C2)c1 ZINC001246108634 1314583490 /nfs/dbraw/zinc/58/34/90/1314583490.db2.gz KLKCTFUNDHBRFB-YPMHNXCESA-N 1 3 327.266 2.730 20 0 EFADHO C[C@@H]1CC[C@@H](CN[C@H]2CCCN(C(=O)c3ccccc3)CC2)[NH2+]C1 ZINC001246101813 1314583935 /nfs/dbraw/zinc/58/39/35/1314583935.db2.gz BFJHMKGLCIQZNJ-NEWSRXKRSA-N 1 3 329.488 2.659 20 0 EFADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001246139013 1314588272 /nfs/dbraw/zinc/58/82/72/1314588272.db2.gz QDFLNUVDTIMMQR-QTDMDRALSA-N 1 3 329.271 2.891 20 0 EFADHO COc1ccc2cc(CC[C@@H](C)N[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)ccc2c1 ZINC001246138799 1314588712 /nfs/dbraw/zinc/58/87/12/1314588712.db2.gz OXOPAQFAAMGEKR-AVQSHMDHSA-N 1 3 340.467 2.746 20 0 EFADHO C[C@H](CSc1ccc(Cl)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@@H]1COC2 ZINC001246148894 1314590148 /nfs/dbraw/zinc/59/01/48/1314590148.db2.gz ODOXIWHIHWCRPK-FOCJUVANSA-N 1 3 326.893 2.645 20 0 EFADHO Fc1cc(F)c2c(c1)C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246155057 1314590543 /nfs/dbraw/zinc/59/05/43/1314590543.db2.gz WYOITDWGUNMAOR-LZQZEXGQSA-N 1 3 336.426 2.570 20 0 EFADHO CC[C@@H]1C[C@H](NCC2(N3CCOCC3)CCCCC2)C[C@H](CC)[NH2+]1 ZINC001246171009 1314592639 /nfs/dbraw/zinc/59/26/39/1314592639.db2.gz PKPWZIZGTRXFNS-BWTSREIZSA-N 1 3 337.552 2.920 20 0 EFADHO CCCC[C@@H]1C[C@@H](NCc2ccccc2N2CCN(C)CC2)CC[NH2+]1 ZINC001246181385 1314594229 /nfs/dbraw/zinc/59/42/29/1314594229.db2.gz NSLFKKBUENJUCU-UXHICEINSA-N 1 3 344.547 2.839 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@H]1N[C@@H](C)CCc1ccc(Br)cc1 ZINC001246217431 1314598501 /nfs/dbraw/zinc/59/85/01/1314598501.db2.gz GOVWZADOBURICC-APHBMKBZSA-N 1 3 341.293 2.737 20 0 EFADHO Fc1ccc(OC(F)(F)F)cc1CN[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246221239 1314599340 /nfs/dbraw/zinc/59/93/40/1314599340.db2.gz JRIGVVQDONWHKK-JTQLQIEISA-N 1 3 336.354 2.661 20 0 EFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]C[C@]1(O)CCCNC1 ZINC001246231159 1314599902 /nfs/dbraw/zinc/59/99/02/1314599902.db2.gz OOYJQQSKLQDTPI-BZNIZROVSA-N 1 3 332.822 2.643 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029774 1314603380 /nfs/dbraw/zinc/60/33/80/1314603380.db2.gz VTROZXRIKVNQJZ-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029774 1314603385 /nfs/dbraw/zinc/60/33/85/1314603385.db2.gz VTROZXRIKVNQJZ-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC001246286336 1314607168 /nfs/dbraw/zinc/60/71/68/1314607168.db2.gz KBLDZEDGGAVAGP-SFFNPBHPSA-N 1 3 343.515 2.543 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccc(OCc3ccccn3)cc2)CCN1 ZINC001246319953 1314609919 /nfs/dbraw/zinc/60/99/19/1314609919.db2.gz XUGSPTAGLKKDEW-SJLPKXTDSA-N 1 3 325.456 2.933 20 0 EFADHO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001246328351 1314610986 /nfs/dbraw/zinc/61/09/86/1314610986.db2.gz LHOCKDFSXVKITL-ZBINZKHDSA-N 1 3 345.270 2.665 20 0 EFADHO CCOC(=O)CC1(N[C@@H](C)CCc2ccc(C)cc2)CC[NH2+]CC1 ZINC001246326882 1314611024 /nfs/dbraw/zinc/61/10/24/1314611024.db2.gz QXKRLSUXLUWZTI-KRWDZBQOSA-N 1 3 332.488 2.981 20 0 EFADHO Fc1ccc(CN2CCC(N[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC001246355017 1314613834 /nfs/dbraw/zinc/61/38/34/1314613834.db2.gz LDBVVWYSQCNGQD-INIZCTEOSA-N 1 3 325.859 2.785 20 0 EFADHO COc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@H](C)NC3)CC2)c1 ZINC001246359802 1314614801 /nfs/dbraw/zinc/61/48/01/1314614801.db2.gz PGPRRPPDROFXJG-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)c(CN2CCC(N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC001246359802 1314614804 /nfs/dbraw/zinc/61/48/04/1314614804.db2.gz PGPRRPPDROFXJG-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@H](C)NC2)CC1 ZINC001246359076 1314614844 /nfs/dbraw/zinc/61/48/44/1314614844.db2.gz KYERCPIJHIQDPN-KSSFIOAISA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(F)cc1CN1CCC(N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246359076 1314614847 /nfs/dbraw/zinc/61/48/47/1314614847.db2.gz KYERCPIJHIQDPN-KSSFIOAISA-N 1 3 335.467 2.529 20 0 EFADHO COc1cccc(CC2(C[NH2+][C@H]3CCN[C@H](C)C3)CCOCC2)c1 ZINC001246365071 1314615805 /nfs/dbraw/zinc/61/58/05/1314615805.db2.gz CYLIEJLJEXQKBO-AEFFLSMTSA-N 1 3 332.488 2.765 20 0 EFADHO C[NH2+]CC[C@H](C)N[C@H]1CCN(Cc2ccccc2Br)C1 ZINC001246365548 1314616053 /nfs/dbraw/zinc/61/60/53/1314616053.db2.gz YSTYINWBMSLPNH-ZFWWWQNUSA-N 1 3 340.309 2.611 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@H]3CCN[C@@H](C)C3)CC2)cc1F ZINC001246360688 1314616228 /nfs/dbraw/zinc/61/62/28/1314616228.db2.gz HRRYZPVITQEFCR-YOEHRIQHSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037798 1314616619 /nfs/dbraw/zinc/61/66/19/1314616619.db2.gz ATGFOPRJAHEJGC-QZTJIDSGSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037798 1314616624 /nfs/dbraw/zinc/61/66/24/1314616624.db2.gz ATGFOPRJAHEJGC-QZTJIDSGSA-N 1 3 344.503 2.869 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4cccc(F)c4C3=O)CC2)CCN1 ZINC001246385265 1314620155 /nfs/dbraw/zinc/62/01/55/1314620155.db2.gz DFKITFMSPAVIIX-MXASKKJJSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246391431 1314621477 /nfs/dbraw/zinc/62/14/77/1314621477.db2.gz ANEYIWKGUGRBQW-PILAGYSTSA-N 1 3 333.451 2.597 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041448 1314622895 /nfs/dbraw/zinc/62/28/95/1314622895.db2.gz ZWJIMXDDLZBTJZ-IRXDYDNUSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053041448 1314622899 /nfs/dbraw/zinc/62/28/99/1314622899.db2.gz ZWJIMXDDLZBTJZ-IRXDYDNUSA-N 1 3 332.492 2.703 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccccc3F)CC2)CCN1 ZINC001246397630 1314623894 /nfs/dbraw/zinc/62/38/94/1314623894.db2.gz SNUGHHKGZOIFLF-VGWMRTNUSA-N 1 3 333.451 2.597 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)c3ccc(F)cc3)CC2)CCN1 ZINC001246401596 1314624482 /nfs/dbraw/zinc/62/44/82/1314624482.db2.gz HLHFCPSITDNOPF-MGHWNKPDSA-N 1 3 333.451 2.597 20 0 EFADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1ccccc1Cl ZINC001246407995 1314624987 /nfs/dbraw/zinc/62/49/87/1314624987.db2.gz WVIWPPFETXHNCZ-HDJSIYSDSA-N 1 3 335.879 2.723 20 0 EFADHO CCn1c2ccccc2nc1N1CCC[C@H](N[C@H](C)CC[NH2+]C)C1 ZINC001246408463 1314625169 /nfs/dbraw/zinc/62/51/69/1314625169.db2.gz UNJXOKQJFQDPAT-CVEARBPZSA-N 1 3 329.492 2.613 20 0 EFADHO COc1ccccc1CC1(C[NH2+][C@H]2CCN[C@@H](C)C2)CCOCC1 ZINC001246408220 1314625395 /nfs/dbraw/zinc/62/53/95/1314625395.db2.gz BWABGNBRFCEWFT-WMZOPIPTSA-N 1 3 332.488 2.765 20 0 EFADHO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246413137 1314626297 /nfs/dbraw/zinc/62/62/97/1314626297.db2.gz GNTSYLGTPBGSOP-BMIGLBTASA-N 1 3 347.837 2.512 20 0 EFADHO Fc1cccc(C2([NH2+][C@H]3CCN[C@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246437014 1314629088 /nfs/dbraw/zinc/62/90/88/1314629088.db2.gz MEJDEVAZRZRBNJ-GJZGRUSLSA-N 1 3 345.384 2.677 20 0 EFADHO Fc1cccc(C2([NH2+][C@@H]3CCN[C@@H](C(F)(F)F)C3)CCNCC2)c1 ZINC001246437015 1314629103 /nfs/dbraw/zinc/62/91/03/1314629103.db2.gz MEJDEVAZRZRBNJ-HUUCEWRRSA-N 1 3 345.384 2.677 20 0 EFADHO FC(F)(F)[C@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CCN1 ZINC001246457335 1314631410 /nfs/dbraw/zinc/63/14/10/1314631410.db2.gz JIUBSHIZJQWTMH-HZPDHXFCSA-N 1 3 341.421 2.624 20 0 EFADHO FC1(F)CNCC[C@@H]1CC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246488652 1314635665 /nfs/dbraw/zinc/63/56/65/1314635665.db2.gz NZMJHSLJRBBCCH-KURKYZTESA-N 1 3 337.458 2.574 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3Cc4cccc(Cl)c4C3)CC2)NC1 ZINC001246492181 1314637307 /nfs/dbraw/zinc/63/73/07/1314637307.db2.gz BNLLRNNAMVHZFA-INIZCTEOSA-N 1 3 329.875 2.849 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3Cc4ccc(Cl)cc4C3)CC2)NC1 ZINC001246494802 1314637702 /nfs/dbraw/zinc/63/77/02/1314637702.db2.gz LMFUJOSHQNURTQ-GOSISDBHSA-N 1 3 329.875 2.849 20 0 EFADHO CCc1ccccc1-c1nc(CN[C@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246505232 1314639004 /nfs/dbraw/zinc/63/90/04/1314639004.db2.gz UMJVDXVAWPUSAE-HNNXBMFYSA-N 1 3 342.512 2.556 20 0 EFADHO CCc1ccccc1-c1nc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246505233 1314639120 /nfs/dbraw/zinc/63/91/20/1314639120.db2.gz UMJVDXVAWPUSAE-OAHLLOKOSA-N 1 3 342.512 2.556 20 0 EFADHO C[C@@]1([NH3+])CCN([C@H]2CC[C@H]3CN(C(=O)c4ccccc4)CC[C@H]3C2)C1 ZINC001246531740 1314643219 /nfs/dbraw/zinc/64/32/19/1314643219.db2.gz SRAUXUJZARBUKW-VNYTWHDVSA-N 1 3 341.499 2.741 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(CN)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246558003 1314647722 /nfs/dbraw/zinc/64/77/22/1314647722.db2.gz KCBBTPWVMFBOJG-YHELAOLJSA-N 1 3 345.531 2.604 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(CN)C2)C[C@H](C)N1Cc1ccccc1 ZINC001246558003 1314647726 /nfs/dbraw/zinc/64/77/26/1314647726.db2.gz KCBBTPWVMFBOJG-YHELAOLJSA-N 1 3 345.531 2.604 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001020171881 1314648327 /nfs/dbraw/zinc/64/83/27/1314648327.db2.gz BGFPAFFVHVYBIX-MWQQHZPXSA-N 1 3 349.906 2.725 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001020171881 1314648331 /nfs/dbraw/zinc/64/83/31/1314648331.db2.gz BGFPAFFVHVYBIX-MWQQHZPXSA-N 1 3 349.906 2.725 20 0 EFADHO CCCCCC1CCC([N@@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001246626561 1314659136 /nfs/dbraw/zinc/65/91/36/1314659136.db2.gz JRPONUJDTNEKLK-UHYCVJNDSA-N 1 3 333.520 2.537 20 0 EFADHO CCCCCC1CCC([N@H+]2CC3(CNC3)[C@@]3(CCNC3=O)C2)CC1 ZINC001246626561 1314659139 /nfs/dbraw/zinc/65/91/39/1314659139.db2.gz JRPONUJDTNEKLK-UHYCVJNDSA-N 1 3 333.520 2.537 20 0 EFADHO Fc1ccc2c(c1)CC[C@H](N1C[C@@H]3C[NH2+]C[C@]3(C(F)(F)F)C1)C2 ZINC001246659570 1314666020 /nfs/dbraw/zinc/66/60/20/1314666020.db2.gz XZFNBWLDKZBDEO-BPUTZDHNSA-N 1 3 328.353 2.767 20 0 EFADHO COc1cccc2c1C[C@H](N1CCC([C@H]3CCCC[NH2+]3)CC1)CO2 ZINC001246665848 1314666503 /nfs/dbraw/zinc/66/65/03/1314666503.db2.gz RCIMBQUGDJGGQG-FUHWJXTLSA-N 1 3 330.472 2.853 20 0 EFADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@@H+](C3CCNCC3)C[C@H]21 ZINC001246673351 1314668991 /nfs/dbraw/zinc/66/89/91/1314668991.db2.gz LZXPPQQRCQTROG-PBHICJAKSA-N 1 3 340.446 2.550 20 0 EFADHO Cn1nc(-c2cccc(F)c2)c2c1C[C@@H]1C[N@H+](C3CCNCC3)C[C@H]21 ZINC001246673351 1314668995 /nfs/dbraw/zinc/66/89/95/1314668995.db2.gz LZXPPQQRCQTROG-PBHICJAKSA-N 1 3 340.446 2.550 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692101 1314672096 /nfs/dbraw/zinc/67/20/96/1314672096.db2.gz MVLZMIACAFPQKP-MNEFBYGVSA-N 1 3 334.435 2.760 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(C1)CNCC[C@@H]2F ZINC001246692101 1314672100 /nfs/dbraw/zinc/67/21/00/1314672100.db2.gz MVLZMIACAFPQKP-MNEFBYGVSA-N 1 3 334.435 2.760 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CCN(CC4CCCC4)C3=O)CC2)CC[NH2+]1 ZINC001246703726 1314673389 /nfs/dbraw/zinc/67/33/89/1314673389.db2.gz RWAAHSFCYDGFOR-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)CCN1 ZINC001246703726 1314673393 /nfs/dbraw/zinc/67/33/93/1314673393.db2.gz RWAAHSFCYDGFOR-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246705551 1314674281 /nfs/dbraw/zinc/67/42/81/1314674281.db2.gz AMUSJHRZJMSFIJ-GJYPPUQNSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705551 1314674286 /nfs/dbraw/zinc/67/42/86/1314674286.db2.gz AMUSJHRZJMSFIJ-GJYPPUQNSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705551 1314674288 /nfs/dbraw/zinc/67/42/88/1314674288.db2.gz AMUSJHRZJMSFIJ-GJYPPUQNSA-N 1 3 347.528 2.817 20 0 EFADHO CC[C@@H]1[N@@H+]([C@@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720330 1314675523 /nfs/dbraw/zinc/67/55/23/1314675523.db2.gz IOVXLPGYJJONKC-NFBUACBFSA-N 1 3 333.520 2.773 20 0 EFADHO CC[C@@H]1[N@H+]([C@@H]2CCN[C@@H](C)C2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC001246720330 1314675527 /nfs/dbraw/zinc/67/55/27/1314675527.db2.gz IOVXLPGYJJONKC-NFBUACBFSA-N 1 3 333.520 2.773 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN(C1CC[NH2+]CC1)CC2 ZINC001246721184 1314676000 /nfs/dbraw/zinc/67/60/00/1314676000.db2.gz KGTKGHPPZXVRSU-KRWDZBQOSA-N 1 3 349.544 2.555 20 0 EFADHO CN(Cc1cccs1)[C@@H]1COC2(C1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246725362 1314676539 /nfs/dbraw/zinc/67/65/39/1314676539.db2.gz YGHRUMJWMQKOFA-IRXDYDNUSA-N 1 3 349.544 2.555 20 0 EFADHO CN(Cc1cccs1)[C@H]1COC2(C1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246725356 1314676649 /nfs/dbraw/zinc/67/66/49/1314676649.db2.gz YGHRUMJWMQKOFA-IAGOWNOFSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1C[C@@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CCN1 ZINC001246728143 1314676824 /nfs/dbraw/zinc/67/68/24/1314676824.db2.gz RVABGGTXCOBIJR-HOTGVXAUSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@@H](N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC[NH2+]1 ZINC001246728143 1314676828 /nfs/dbraw/zinc/67/68/28/1314676828.db2.gz RVABGGTXCOBIJR-HOTGVXAUSA-N 1 3 347.528 2.817 20 0 EFADHO CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757788 1314677633 /nfs/dbraw/zinc/67/76/33/1314677633.db2.gz MTJOEMPTCNKCST-OVWQWFNUSA-N 1 3 347.528 2.954 20 0 EFADHO CCCC[C@H]1C[C@@H]([N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)CCN1 ZINC001246757788 1314677636 /nfs/dbraw/zinc/67/76/36/1314677636.db2.gz MTJOEMPTCNKCST-OVWQWFNUSA-N 1 3 347.528 2.954 20 0 EFADHO O=C1N(c2cccc(F)c2)CC12CCN(C1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001246769965 1314679418 /nfs/dbraw/zinc/67/94/18/1314679418.db2.gz XXKDDHRAIKSKDM-BYICEURKSA-N 1 3 343.446 2.538 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020236524 1314682496 /nfs/dbraw/zinc/68/24/96/1314682496.db2.gz AQCVQYQIMWCWGV-BZSNNMDCSA-N 1 3 347.478 2.540 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3F)C2)C1 ZINC001020236524 1314682500 /nfs/dbraw/zinc/68/25/00/1314682500.db2.gz AQCVQYQIMWCWGV-BZSNNMDCSA-N 1 3 347.478 2.540 20 0 EFADHO Brc1ccc2c(c1)C[C@H](N1C[C@@H]3CC[NH2+]C[C@@H]3C1)CC2 ZINC001246843445 1314694144 /nfs/dbraw/zinc/69/41/44/1314694144.db2.gz GGHLKFGXPAMBIU-YSVLISHTSA-N 1 3 335.289 2.848 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001246873523 1314699987 /nfs/dbraw/zinc/69/99/87/1314699987.db2.gz SLLOVNAQBQPGRF-WBMJQRKESA-N 1 3 325.859 2.517 20 0 EFADHO C[C@H](Cc1ccc(F)cc1Cl)N1CCC[C@@H](N2CC([NH3+])C2)C1 ZINC001246873522 1314700340 /nfs/dbraw/zinc/70/03/40/1314700340.db2.gz SLLOVNAQBQPGRF-MLGOLLRUSA-N 1 3 325.859 2.517 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246878646 1314701759 /nfs/dbraw/zinc/70/17/59/1314701759.db2.gz SMCWMAULTRTAKE-WZGPROSRSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246878646 1314701763 /nfs/dbraw/zinc/70/17/63/1314701763.db2.gz SMCWMAULTRTAKE-WZGPROSRSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CCN[C@@H](C)C1 ZINC001246878646 1314701764 /nfs/dbraw/zinc/70/17/64/1314701764.db2.gz SMCWMAULTRTAKE-WZGPROSRSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1[C@H]1CC[NH2+][C@H](C)C1 ZINC001246878645 1314702245 /nfs/dbraw/zinc/70/22/45/1314702245.db2.gz SMCWMAULTRTAKE-QXCFHYIPSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246878645 1314702249 /nfs/dbraw/zinc/70/22/49/1314702249.db2.gz SMCWMAULTRTAKE-QXCFHYIPSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1[C@H]1CCN[C@H](C)C1 ZINC001246878645 1314702254 /nfs/dbraw/zinc/70/22/54/1314702254.db2.gz SMCWMAULTRTAKE-QXCFHYIPSA-N 1 3 330.472 2.938 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCNC2(CCC2)C1 ZINC001246890317 1314704350 /nfs/dbraw/zinc/70/43/50/1314704350.db2.gz ITHMJSOHDUUVOO-SJORKVTESA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCNC2(CCC2)C1 ZINC001246890317 1314704355 /nfs/dbraw/zinc/70/43/55/1314704355.db2.gz ITHMJSOHDUUVOO-SJORKVTESA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890317 1314704360 /nfs/dbraw/zinc/70/43/60/1314704360.db2.gz ITHMJSOHDUUVOO-SJORKVTESA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCNC(C)(C)C1 ZINC001246891160 1314704434 /nfs/dbraw/zinc/70/44/34/1314704434.db2.gz NKLYOHSHPZMCOE-JKSUJKDBSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCNC(C)(C)C1 ZINC001246891160 1314704440 /nfs/dbraw/zinc/70/44/40/1314704440.db2.gz NKLYOHSHPZMCOE-JKSUJKDBSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246891160 1314704445 /nfs/dbraw/zinc/70/44/45/1314704445.db2.gz NKLYOHSHPZMCOE-JKSUJKDBSA-N 1 3 328.497 2.587 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915284 1314707854 /nfs/dbraw/zinc/70/78/54/1314707854.db2.gz MBQFHXVGQDJBMB-PKOBYXMFSA-N 1 3 330.472 2.972 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915284 1314707856 /nfs/dbraw/zinc/70/78/56/1314707856.db2.gz MBQFHXVGQDJBMB-PKOBYXMFSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@@H]1CCCN([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)[C@@H]1C ZINC001246917236 1314708090 /nfs/dbraw/zinc/70/80/90/1314708090.db2.gz MYUDOTLRQJOSRG-OQIJWPOYSA-N 1 3 330.472 2.623 20 0 EFADHO COCC[N@H+](C1CCC(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC001246928252 1314709528 /nfs/dbraw/zinc/70/95/28/1314709528.db2.gz JSUQCSWSTGRYNX-OFLPRAFFSA-N 1 3 340.508 2.587 20 0 EFADHO COCC[N@@H+](C1CCC(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCNC1 ZINC001246928252 1314709529 /nfs/dbraw/zinc/70/95/29/1314709529.db2.gz JSUQCSWSTGRYNX-OFLPRAFFSA-N 1 3 340.508 2.587 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939042 1314711320 /nfs/dbraw/zinc/71/13/20/1314711320.db2.gz SBGMATBQHJCFEB-BMFZPTHFSA-N 1 3 333.442 2.914 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CCN1 ZINC001246939042 1314711324 /nfs/dbraw/zinc/71/13/24/1314711324.db2.gz SBGMATBQHJCFEB-BMFZPTHFSA-N 1 3 333.442 2.914 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001053098965 1314713527 /nfs/dbraw/zinc/71/35/27/1314713527.db2.gz RLCPILIXAGLRSW-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001053098965 1314713531 /nfs/dbraw/zinc/71/35/31/1314713531.db2.gz RLCPILIXAGLRSW-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO CCOCCN(C1CC[NH2+]CC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951049 1314713887 /nfs/dbraw/zinc/71/38/87/1314713887.db2.gz RNYOJTODSMDDTA-QGZVFWFLSA-N 1 3 338.442 2.913 20 0 EFADHO CCOCC[N@H+](C1CCNCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951049 1314713890 /nfs/dbraw/zinc/71/38/90/1314713890.db2.gz RNYOJTODSMDDTA-QGZVFWFLSA-N 1 3 338.442 2.913 20 0 EFADHO CCOCC[N@@H+](C1CCNCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246951049 1314713893 /nfs/dbraw/zinc/71/38/93/1314713893.db2.gz RNYOJTODSMDDTA-QGZVFWFLSA-N 1 3 338.442 2.913 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099582 1314715180 /nfs/dbraw/zinc/71/51/80/1314715180.db2.gz XTGMAYBXJCCGKU-AEFFLSMTSA-N 1 3 332.492 2.845 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099582 1314715183 /nfs/dbraw/zinc/71/51/83/1314715183.db2.gz XTGMAYBXJCCGKU-AEFFLSMTSA-N 1 3 332.492 2.845 20 0 EFADHO Cc1c(Br)cncc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276713624 1314723119 /nfs/dbraw/zinc/72/31/19/1314723119.db2.gz QANNAUIDDNRVLF-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO Cc1c(Br)cncc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276713624 1314723122 /nfs/dbraw/zinc/72/31/22/1314723122.db2.gz QANNAUIDDNRVLF-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO Clc1ccc2c(c1)[C@@H]1CN([C@@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]1N2 ZINC001247003489 1314729035 /nfs/dbraw/zinc/72/90/35/1314729035.db2.gz NOHAVXIGWSLMDD-NOLJZWGESA-N 1 3 335.904 2.771 20 0 EFADHO COc1ccc([C@@H]2C[C@H](N3CC[C@H]4[NH2+]CCC[C@H]4C3)CCO2)cc1 ZINC001247012158 1314730953 /nfs/dbraw/zinc/73/09/53/1314730953.db2.gz CGHMPUJZTFDOMK-CUDHKJQZSA-N 1 3 330.472 2.989 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001214861122 1314749784 /nfs/dbraw/zinc/74/97/84/1314749784.db2.gz ILJILXXGQWLMFT-CRAIPNDOSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001214904686 1314755819 /nfs/dbraw/zinc/75/58/19/1314755819.db2.gz DVIKZOPBRWTPAH-BOXHGLORSA-N 1 3 343.515 2.723 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001214996703 1314766510 /nfs/dbraw/zinc/76/65/10/1314766510.db2.gz BQWJBOGQFOEFJE-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001214998312 1314767040 /nfs/dbraw/zinc/76/70/40/1314767040.db2.gz UKZIMVKTWHPJDH-CRAIPNDOSA-N 1 3 349.494 2.535 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001214997817 1314767192 /nfs/dbraw/zinc/76/71/92/1314767192.db2.gz MYEVGCLSJLUOQQ-CRAIPNDOSA-N 1 3 349.494 2.801 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001214998573 1314767290 /nfs/dbraw/zinc/76/72/90/1314767290.db2.gz ZUWAFIYGYWSRCY-CRAIPNDOSA-N 1 3 349.494 2.801 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)ccc2F)C1 ZINC001214998573 1314767295 /nfs/dbraw/zinc/76/72/95/1314767295.db2.gz ZUWAFIYGYWSRCY-CRAIPNDOSA-N 1 3 349.494 2.801 20 0 EFADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401119831 1314796832 /nfs/dbraw/zinc/79/68/32/1314796832.db2.gz NWJWAOMINCVKQH-YLFCFFPRSA-N 1 3 339.524 2.843 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001038274419 1314832731 /nfs/dbraw/zinc/83/27/31/1314832731.db2.gz YHPLXKXWCOVMDQ-SLFFLAALSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001038274419 1314832734 /nfs/dbraw/zinc/83/27/34/1314832734.db2.gz YHPLXKXWCOVMDQ-SLFFLAALSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001215473594 1314839994 /nfs/dbraw/zinc/83/99/94/1314839994.db2.gz FECVZDYJUOSRQY-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CCCCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540663 1314847870 /nfs/dbraw/zinc/84/78/70/1314847870.db2.gz PKGPQMRRSARBIG-MDZRGWNJSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215550913 1314850928 /nfs/dbraw/zinc/85/09/28/1314850928.db2.gz JDEXJJZLIOAIHF-KZNAEPCWSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001215567919 1314852513 /nfs/dbraw/zinc/85/25/13/1314852513.db2.gz GQQDGXBIOCLYDD-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001215575614 1314853379 /nfs/dbraw/zinc/85/33/79/1314853379.db2.gz VHVFLUJCIDLZSH-RLLQIKCJSA-N 1 3 345.531 2.704 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@@H]3CC4(CO3)CC[NH2+]CC4)n2)cc1 ZINC001247861081 1314854840 /nfs/dbraw/zinc/85/48/40/1314854840.db2.gz NPUMRIISZLZDPR-INIZCTEOSA-N 1 3 342.443 2.629 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001215973041 1314896243 /nfs/dbraw/zinc/89/62/43/1314896243.db2.gz MZMIGYDIFMFBBM-IXDOHACOSA-N 1 3 329.504 2.683 20 0 EFADHO Fc1ccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)cc1 ZINC001276733427 1314901343 /nfs/dbraw/zinc/90/13/43/1314901343.db2.gz BPFDAGZDPICBCD-UHFFFAOYSA-N 1 3 342.462 2.663 20 0 EFADHO O=C(NC[C@H]1CCN1CCCC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001038394528 1314903791 /nfs/dbraw/zinc/90/37/91/1314903791.db2.gz SXQZIJNQFUIFPT-GOSISDBHSA-N 1 3 333.520 2.633 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001038411811 1314914707 /nfs/dbraw/zinc/91/47/07/1314914707.db2.gz USMAPOZOIPWHTK-AZUAARDMSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001038411811 1314914708 /nfs/dbraw/zinc/91/47/08/1314914708.db2.gz USMAPOZOIPWHTK-AZUAARDMSA-N 1 3 341.499 2.739 20 0 EFADHO c1ccc([C@H]2C[C@@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001248283536 1314917551 /nfs/dbraw/zinc/91/75/51/1314917551.db2.gz JKMLDQQLRAEOSI-CRAIPNDOSA-N 1 3 347.422 2.596 20 0 EFADHO c1ccc([C@@H]2C[C@H](c3nc(-c4ccc5c(n4)CCNC5)no3)C[NH2+]2)cc1 ZINC001248283540 1314917578 /nfs/dbraw/zinc/91/75/78/1314917578.db2.gz JKMLDQQLRAEOSI-YJBOKZPZSA-N 1 3 347.422 2.596 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466201 1314951410 /nfs/dbraw/zinc/95/14/10/1314951410.db2.gz RJTMDMHZBGWVHK-CRAIPNDOSA-N 1 3 334.423 2.900 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H]1CNC(=O)c1ccn2cncc2c1 ZINC001038466201 1314951416 /nfs/dbraw/zinc/95/14/16/1314951416.db2.gz RJTMDMHZBGWVHK-CRAIPNDOSA-N 1 3 334.423 2.900 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001216499468 1314963226 /nfs/dbraw/zinc/96/32/26/1314963226.db2.gz KFHZTFLOLFMBEK-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001216511614 1314964523 /nfs/dbraw/zinc/96/45/23/1314964523.db2.gz XCAJUTFQXROIOP-BZUAXINKSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001216511393 1314964844 /nfs/dbraw/zinc/96/48/44/1314964844.db2.gz QPDCONMFNNPBES-LSTHTHJFSA-N 1 3 343.515 2.842 20 0 EFADHO C[NH+]1CCN(c2cncc(Nc3cncn3Cc3ccccc3)c2)CC1 ZINC001216551925 1314970465 /nfs/dbraw/zinc/97/04/65/1314970465.db2.gz CWCBFAPDNAJITQ-UHFFFAOYSA-N 1 3 348.454 2.822 20 0 EFADHO CN1CCN(c2cc[nH+]cc2Nc2cncn2Cc2ccccc2)CC1 ZINC001216552276 1314970903 /nfs/dbraw/zinc/97/09/03/1314970903.db2.gz MNLWAXVDFUBTMQ-UHFFFAOYSA-N 1 3 348.454 2.822 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccc(Cl)cn1)C2 ZINC001276744850 1314984627 /nfs/dbraw/zinc/98/46/27/1314984627.db2.gz CWNOQEZYRVXMBF-SFHVURJKSA-N 1 3 336.911 2.585 20 0 EFADHO C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1NCC=C(Cl)Cl ZINC001216835714 1315013967 /nfs/dbraw/zinc/01/39/67/1315013967.db2.gz CVUCSWYEAJAZRO-ZIAGYGMSSA-N 1 3 348.318 2.618 20 0 EFADHO CN(Cc1cnc(NC(=O)OC(C)(C)C)[nH]1)CC1CC[NH+](C)CC1 ZINC001249423999 1315070581 /nfs/dbraw/zinc/07/05/81/1315070581.db2.gz TUJBUTPTSCBUPF-UHFFFAOYSA-N 1 3 337.468 2.530 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN2CCC2CCCCCC2)CC1 ZINC001038661979 1315072525 /nfs/dbraw/zinc/07/25/25/1315072525.db2.gz IJSVVRZDNHMLLK-IBGZPJMESA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2F ZINC001276770378 1315148757 /nfs/dbraw/zinc/14/87/57/1315148757.db2.gz LBFAHNNXJIMLER-ROUUACIJSA-N 1 3 330.451 2.517 20 0 EFADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1c[nH]c2c1cccc2F ZINC001276770378 1315148760 /nfs/dbraw/zinc/14/87/60/1315148760.db2.gz LBFAHNNXJIMLER-ROUUACIJSA-N 1 3 330.451 2.517 20 0 EFADHO CCC(=O)C1(c2cccc(O[C@H]3CCC[NH2+]C3)c2)CCN(C)CC1 ZINC001218284338 1315174351 /nfs/dbraw/zinc/17/43/51/1315174351.db2.gz VMVQICFHRZLRJJ-SFHVURJKSA-N 1 3 330.472 2.760 20 0 EFADHO [NH3+]C1CCN(Cc2ccccc2O[C@H]2CNCc3ccccc32)CC1 ZINC001218489258 1315203595 /nfs/dbraw/zinc/20/35/95/1315203595.db2.gz NFWUWCCCORRSTL-NRFANRHFSA-N 1 3 337.467 2.833 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001054041322 1315207654 /nfs/dbraw/zinc/20/76/54/1315207654.db2.gz IXSBIISKJPPPCP-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001054041322 1315207657 /nfs/dbraw/zinc/20/76/57/1315207657.db2.gz IXSBIISKJPPPCP-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001054041241 1315208476 /nfs/dbraw/zinc/20/84/76/1315208476.db2.gz GNRGPWPLHMIKPN-LSTHTHJFSA-N 1 3 343.515 2.526 20 0 EFADHO CC(C)CN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001054041241 1315208480 /nfs/dbraw/zinc/20/84/80/1315208480.db2.gz GNRGPWPLHMIKPN-LSTHTHJFSA-N 1 3 343.515 2.526 20 0 EFADHO Cc1cccc(C[C@]2(C(=O)Nc3cnccc3N(C)C)CCC[NH2+]2)c1 ZINC001218562796 1315215356 /nfs/dbraw/zinc/21/53/56/1315215356.db2.gz BBVKQTUAXVTFRM-FQEVSTJZSA-N 1 3 338.455 2.759 20 0 EFADHO [NH3+][C@@H](CC(=O)Nc1cc([C@H]2CCCN2)no1)Cc1ccccc1Cl ZINC001218710950 1315233651 /nfs/dbraw/zinc/23/36/51/1315233651.db2.gz IVMDJMJOFBVDEX-TZMCWYRMSA-N 1 3 348.834 2.651 20 0 EFADHO O=C(Nc1cc([C@H]2CCCN2)no1)C1(CC2CCC2)CC[NH2+]CC1 ZINC001218714634 1315234620 /nfs/dbraw/zinc/23/46/20/1315234620.db2.gz ZXUJCKOZDHVALD-CQSZACIVSA-N 1 3 332.448 2.598 20 0 EFADHO O[C@@H](C[NH2+]CCCN1CCCCC1)COc1ccc(Cl)cc1 ZINC001250685404 1315242359 /nfs/dbraw/zinc/24/23/59/1315242359.db2.gz FHPYKUUKMLDCAR-INIZCTEOSA-N 1 3 326.868 2.545 20 0 EFADHO CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2)[C@H](C)C1 ZINC001250690492 1315243929 /nfs/dbraw/zinc/24/39/29/1315243929.db2.gz GVCBCGOFSDLAIT-QGPMSJSTSA-N 1 3 340.895 2.788 20 0 EFADHO CC(C)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2)[C@H](C)C1 ZINC001250690497 1315244046 /nfs/dbraw/zinc/24/40/46/1315244046.db2.gz GVCBCGOFSDLAIT-UWWQBHOKSA-N 1 3 340.895 2.788 20 0 EFADHO O[C@H](C[NH2+]CCc1c[nH]c2ccncc12)COc1ccc(Cl)cc1 ZINC001250689843 1315244138 /nfs/dbraw/zinc/24/41/38/1315244138.db2.gz CJLPSSOJVIPXCS-OAHLLOKOSA-N 1 3 345.830 2.788 20 0 EFADHO Cc1ccccc1Oc1ccccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218851230 1315249915 /nfs/dbraw/zinc/24/99/15/1315249915.db2.gz JBHNIMBOLOZFGO-HNNXBMFYSA-N 1 3 337.423 2.535 20 0 EFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3cccc4c3CNC4)C2)c1 ZINC001218993630 1315270139 /nfs/dbraw/zinc/27/01/39/1315270139.db2.gz RKFRTHYGMCDPQR-UZLBHIALSA-N 1 3 335.451 2.758 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCCO2)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC001219031480 1315275046 /nfs/dbraw/zinc/27/50/46/1315275046.db2.gz OPNCJAFZBMFBQJ-SFHVURJKSA-N 1 3 337.423 2.845 20 0 EFADHO C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)c21 ZINC001219038592 1315275633 /nfs/dbraw/zinc/27/56/33/1315275633.db2.gz ZKFMPFMCCRUNCB-LRDNONRASA-N 1 3 327.472 2.609 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(C(F)(F)F)cc2ncccc21 ZINC001219188683 1315288256 /nfs/dbraw/zinc/28/82/56/1315288256.db2.gz UFUNJAJTXJMLEH-LBPRGKRZSA-N 1 3 340.349 2.648 20 0 EFADHO C[NH+]1CCC(COc2cccc(F)c2NC(=O)[C@@H]2CCCCN2)CC1 ZINC001219300381 1315298582 /nfs/dbraw/zinc/29/85/82/1315298582.db2.gz XUANHMSLKIOCOQ-INIZCTEOSA-N 1 3 349.450 2.627 20 0 EFADHO COc1cc2[nH]ccc2c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1 ZINC001219362061 1315304812 /nfs/dbraw/zinc/30/48/12/1315304812.db2.gz CZQFSGNTYDHRIR-HNNXBMFYSA-N 1 3 332.448 2.611 20 0 EFADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001219649413 1315331840 /nfs/dbraw/zinc/33/18/40/1315331840.db2.gz IRXXCMAJXRXCNH-JRPNMDOOSA-N 1 3 344.286 2.745 20 0 EFADHO C[C@H]1C[NH2+]C[C@@H](CNC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001219649075 1315331882 /nfs/dbraw/zinc/33/18/82/1315331882.db2.gz DZXSJIZOFOMNIK-UHIISALHSA-N 1 3 344.286 2.745 20 0 EFADHO O=C(C[C@H]1CCCC[NH2+]1)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668935 1315334854 /nfs/dbraw/zinc/33/48/54/1315334854.db2.gz FQNVDTZGJKXNIV-HXUWFJFHSA-N 1 3 343.515 2.590 20 0 EFADHO [NH3+][C@@H](CC1CCC1)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219669254 1315334861 /nfs/dbraw/zinc/33/48/61/1315334861.db2.gz RHYLKNQRHZNIPH-FQEVSTJZSA-N 1 3 343.515 2.575 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1cccc(Cl)c1F ZINC001219687629 1315335787 /nfs/dbraw/zinc/33/57/87/1315335787.db2.gz VPSALONXIPZYPY-RISCZKNCSA-N 1 3 339.842 2.531 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1cccc(Cl)c1F ZINC001219687629 1315335792 /nfs/dbraw/zinc/33/57/92/1315335792.db2.gz VPSALONXIPZYPY-RISCZKNCSA-N 1 3 339.842 2.531 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128977 1315336797 /nfs/dbraw/zinc/33/67/97/1315336797.db2.gz HLAJPDQWNIUIAE-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054128977 1315336803 /nfs/dbraw/zinc/33/68/03/1315336803.db2.gz HLAJPDQWNIUIAE-QUCCMNQESA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129540 1315338384 /nfs/dbraw/zinc/33/83/84/1315338384.db2.gz SYRHKEOAHICRHY-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCN1C(C)C)C2 ZINC001054129540 1315338389 /nfs/dbraw/zinc/33/83/89/1315338389.db2.gz SYRHKEOAHICRHY-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](N)C(C)(C)C)CC21CC[NH2+]CC1 ZINC001219753376 1315343291 /nfs/dbraw/zinc/34/32/91/1315343291.db2.gz GZMMOHJMDVBESD-IRXDYDNUSA-N 1 3 329.488 2.551 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054140182 1315354334 /nfs/dbraw/zinc/35/43/34/1315354334.db2.gz CMOVUNSDNKZXLT-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054140182 1315354339 /nfs/dbraw/zinc/35/43/39/1315354339.db2.gz CMOVUNSDNKZXLT-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054140838 1315355383 /nfs/dbraw/zinc/35/53/83/1315355383.db2.gz AADDSNOXKKISMK-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054140838 1315355387 /nfs/dbraw/zinc/35/53/87/1315355387.db2.gz AADDSNOXKKISMK-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1[nH]c2ccc(CNC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2c1C ZINC001219914095 1315355620 /nfs/dbraw/zinc/35/56/20/1315355620.db2.gz JOUYTTSYOBZPQB-SFHVURJKSA-N 1 3 344.503 2.897 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941058 1315357957 /nfs/dbraw/zinc/35/79/57/1315357957.db2.gz MKGBUPNBLQYMBB-OALUTQOASA-N 1 3 329.488 2.532 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941058 1315357961 /nfs/dbraw/zinc/35/79/61/1315357961.db2.gz MKGBUPNBLQYMBB-OALUTQOASA-N 1 3 329.488 2.532 20 0 EFADHO O=C(C[C@@H]1Cc2ccccc2CN1)NCCC[NH2+]C1CCCCC1 ZINC001219952475 1315359077 /nfs/dbraw/zinc/35/90/77/1315359077.db2.gz VRLSIYNODKJKOY-IBGZPJMESA-N 1 3 329.488 2.520 20 0 EFADHO O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219950071 1315359407 /nfs/dbraw/zinc/35/94/07/1315359407.db2.gz GXUXKSQHXQVIHU-ACBHZAAOSA-N 1 3 341.499 2.703 20 0 EFADHO O=C(NC1CCC(c2ccccc2)CC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219950071 1315359413 /nfs/dbraw/zinc/35/94/13/1315359413.db2.gz GXUXKSQHXQVIHU-ACBHZAAOSA-N 1 3 341.499 2.703 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144046 1315361735 /nfs/dbraw/zinc/36/17/35/1315361735.db2.gz PAIFPPIQVCWSFV-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144046 1315361737 /nfs/dbraw/zinc/36/17/37/1315361737.db2.gz PAIFPPIQVCWSFV-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001054144879 1315363414 /nfs/dbraw/zinc/36/34/14/1315363414.db2.gz DOUBCDLWDUBSAN-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(CC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)C1CCC1 ZINC001054144879 1315363419 /nfs/dbraw/zinc/36/34/19/1315363419.db2.gz DOUBCDLWDUBSAN-HXUWFJFHSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145036 1315363731 /nfs/dbraw/zinc/36/37/31/1315363731.db2.gz IMVVWPHTZPPPEB-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145036 1315363734 /nfs/dbraw/zinc/36/37/34/1315363734.db2.gz IMVVWPHTZPPPEB-PZJWPPBQSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145037 1315363772 /nfs/dbraw/zinc/36/37/72/1315363772.db2.gz IMVVWPHTZPPPEB-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)C1CC1 ZINC001054145037 1315363777 /nfs/dbraw/zinc/36/37/77/1315363777.db2.gz IMVVWPHTZPPPEB-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145871 1315365283 /nfs/dbraw/zinc/36/52/83/1315365283.db2.gz ZBTBADOWSUBTNV-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145871 1315365287 /nfs/dbraw/zinc/36/52/87/1315365287.db2.gz ZBTBADOWSUBTNV-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145868 1315366072 /nfs/dbraw/zinc/36/60/72/1315366072.db2.gz ZBTBADOWSUBTNV-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C1CCC1)C2 ZINC001054145868 1315366074 /nfs/dbraw/zinc/36/60/74/1315366074.db2.gz ZBTBADOWSUBTNV-APWZRJJASA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150146 1315372625 /nfs/dbraw/zinc/37/26/25/1315372625.db2.gz VNDGEJZNAKTFQM-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001054150146 1315372628 /nfs/dbraw/zinc/37/26/28/1315372628.db2.gz VNDGEJZNAKTFQM-AZUAARDMSA-N 1 3 337.552 2.933 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220251964 1315389264 /nfs/dbraw/zinc/38/92/64/1315389264.db2.gz KTAXIHRLLWJIBL-SWLSCSKDSA-N 1 3 344.286 2.984 20 0 EFADHO C[N@H+]1CCC[C@H]1CCNC(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001220251964 1315389269 /nfs/dbraw/zinc/38/92/69/1315389269.db2.gz KTAXIHRLLWJIBL-SWLSCSKDSA-N 1 3 344.286 2.984 20 0 EFADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1C[C@@H](c2ccccc2)CCN1 ZINC001220335100 1315400496 /nfs/dbraw/zinc/40/04/96/1315400496.db2.gz ICBXBXFSUIJFSF-YSIASYRMSA-N 1 3 343.515 2.759 20 0 EFADHO CC(C)[C@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cc1 ZINC001220437839 1315412492 /nfs/dbraw/zinc/41/24/92/1315412492.db2.gz INILPEIIIHEAPD-IRXDYDNUSA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)[C@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cc1 ZINC001220437839 1315412496 /nfs/dbraw/zinc/41/24/96/1315412496.db2.gz INILPEIIIHEAPD-IRXDYDNUSA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)[C@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1ccc(F)cc1 ZINC001220437840 1315412949 /nfs/dbraw/zinc/41/29/49/1315412949.db2.gz INILPEIIIHEAPD-SJORKVTESA-N 1 3 333.451 2.513 20 0 EFADHO CC(C)[C@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1ccc(F)cc1 ZINC001220437840 1315412950 /nfs/dbraw/zinc/41/29/50/1315412950.db2.gz INILPEIIIHEAPD-SJORKVTESA-N 1 3 333.451 2.513 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001039040163 1315413939 /nfs/dbraw/zinc/41/39/39/1315413939.db2.gz OSSWJIGQCFIJCX-GXOAENINSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001039040163 1315413941 /nfs/dbraw/zinc/41/39/41/1315413941.db2.gz OSSWJIGQCFIJCX-GXOAENINSA-N 1 3 329.488 2.598 20 0 EFADHO [NH3+]C1(CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CCCC1 ZINC001220496955 1315420272 /nfs/dbraw/zinc/42/02/72/1315420272.db2.gz HVRWTYYOOUZWBJ-INIZCTEOSA-N 1 3 349.906 2.940 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001039050831 1315423235 /nfs/dbraw/zinc/42/32/35/1315423235.db2.gz QMKVXGMJHKWAJD-LEOMRAHMSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001039050831 1315423230 /nfs/dbraw/zinc/42/32/30/1315423230.db2.gz QMKVXGMJHKWAJD-LEOMRAHMSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1F)C1CC1 ZINC001220594563 1315429469 /nfs/dbraw/zinc/42/94/69/1315429469.db2.gz JDZLIMCDVGAHLH-ZWKOTPCHSA-N 1 3 335.467 2.889 20 0 EFADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220680525 1315439900 /nfs/dbraw/zinc/43/99/00/1315439900.db2.gz GXCQAOBTYNKYJI-SPOLIRPYSA-N 1 3 327.472 2.659 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001054198070 1315442689 /nfs/dbraw/zinc/44/26/89/1315442689.db2.gz PAWZBWZTOLVLAH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001054198070 1315442692 /nfs/dbraw/zinc/44/26/92/1315442692.db2.gz PAWZBWZTOLVLAH-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001054198072 1315442812 /nfs/dbraw/zinc/44/28/12/1315442812.db2.gz PAWZBWZTOLVLAH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001054198072 1315442815 /nfs/dbraw/zinc/44/28/15/1315442815.db2.gz PAWZBWZTOLVLAH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)C[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1ccccn1 ZINC001220719140 1315443624 /nfs/dbraw/zinc/44/36/24/1315443624.db2.gz RXFMSTRIUVHEQO-FUHWJXTLSA-N 1 3 334.508 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054198214 1315443665 /nfs/dbraw/zinc/44/36/65/1315443665.db2.gz SHPVDFMLDZRAFL-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054198214 1315443668 /nfs/dbraw/zinc/44/36/68/1315443668.db2.gz SHPVDFMLDZRAFL-YLJYHZDGSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198245 1315444047 /nfs/dbraw/zinc/44/40/47/1315444047.db2.gz SXNHNSBQKKAACJ-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001054198245 1315444051 /nfs/dbraw/zinc/44/40/51/1315444051.db2.gz SXNHNSBQKKAACJ-AZUAARDMSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198333 1315444534 /nfs/dbraw/zinc/44/45/34/1315444534.db2.gz VYWVVOMKUURTEG-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN1CCC[C@H]1C)C2 ZINC001054198333 1315444538 /nfs/dbraw/zinc/44/45/38/1315444538.db2.gz VYWVVOMKUURTEG-QUCCMNQESA-N 1 3 333.520 2.751 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001054205074 1315454240 /nfs/dbraw/zinc/45/42/40/1315454240.db2.gz KCZNWMULAGLUGB-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001054205074 1315454245 /nfs/dbraw/zinc/45/42/45/1315454245.db2.gz KCZNWMULAGLUGB-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)NCC(C)(C)c1c[nH]c2ccccc21 ZINC001220843021 1315456673 /nfs/dbraw/zinc/45/66/73/1315456673.db2.gz HAHOZIGKZPRIIG-KRWDZBQOSA-N 1 3 344.503 2.621 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)cc1 ZINC001220857834 1315457350 /nfs/dbraw/zinc/45/73/50/1315457350.db2.gz ULQKWXNOMLKXMB-OALUTQOASA-N 1 3 339.483 2.713 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054209160 1315458825 /nfs/dbraw/zinc/45/88/25/1315458825.db2.gz KKZTWUASNIZFSM-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054209160 1315458827 /nfs/dbraw/zinc/45/88/27/1315458827.db2.gz KKZTWUASNIZFSM-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CN(CC(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1)C1CCCC1 ZINC001221033579 1315474372 /nfs/dbraw/zinc/47/43/72/1315474372.db2.gz HRQRKBXFDDLNHS-FQEVSTJZSA-N 1 3 347.478 2.857 20 0 EFADHO O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cccc2c1C[NH2+]CC2 ZINC001221062967 1315479401 /nfs/dbraw/zinc/47/94/01/1315479401.db2.gz HEIZLFZVBMQGIB-IBGZPJMESA-N 1 3 349.478 2.727 20 0 EFADHO C[C@@]1([NH3+])C[C@H](NC(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)C1 ZINC001221238615 1315494855 /nfs/dbraw/zinc/49/48/55/1315494855.db2.gz AKEQBCNJPIRDFX-IQGASKDCSA-N 1 3 349.478 2.704 20 0 EFADHO C[N@@H+]1CCC[C@@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762460 1315502293 /nfs/dbraw/zinc/50/22/93/1315502293.db2.gz HRNOUUPGMFWVKQ-QZTJIDSGSA-N 1 3 334.504 2.798 20 0 EFADHO C[N@H+]1CCC[C@@H](NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC001252762460 1315502297 /nfs/dbraw/zinc/50/22/97/1315502297.db2.gz HRNOUUPGMFWVKQ-QZTJIDSGSA-N 1 3 334.504 2.798 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770571 1315504731 /nfs/dbraw/zinc/50/47/31/1315504731.db2.gz IQFARMGFCAKKEL-HHXXYDBFSA-N 1 3 334.504 2.654 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001252770571 1315504734 /nfs/dbraw/zinc/50/47/34/1315504734.db2.gz IQFARMGFCAKKEL-HHXXYDBFSA-N 1 3 334.504 2.654 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001054244333 1315514040 /nfs/dbraw/zinc/51/40/40/1315514040.db2.gz CTOUFUDGCBOHFW-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001054244333 1315514042 /nfs/dbraw/zinc/51/40/42/1315514042.db2.gz CTOUFUDGCBOHFW-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO O[C@H](C[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC001252847221 1315514348 /nfs/dbraw/zinc/51/43/48/1315514348.db2.gz PTRAQTMSARSHOP-IRFCIJBXSA-N 1 3 340.442 2.923 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132702 1315515849 /nfs/dbraw/zinc/51/58/49/1315515849.db2.gz AWLQNFGDCBRREE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132702 1315515853 /nfs/dbraw/zinc/51/58/53/1315515853.db2.gz AWLQNFGDCBRREE-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134313 1315518252 /nfs/dbraw/zinc/51/82/52/1315518252.db2.gz OZDZNIPGNBBTTJ-WOJBJXKFSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039134313 1315518256 /nfs/dbraw/zinc/51/82/56/1315518256.db2.gz OZDZNIPGNBBTTJ-WOJBJXKFSA-N 1 3 347.547 2.853 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134518 1315518414 /nfs/dbraw/zinc/51/84/14/1315518414.db2.gz RALIKYFBWIEOEJ-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CC1 ZINC001039134518 1315518416 /nfs/dbraw/zinc/51/84/16/1315518416.db2.gz RALIKYFBWIEOEJ-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)N(C(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1)C(C)(C)C[NH3+] ZINC001221394561 1315519540 /nfs/dbraw/zinc/51/95/40/1315519540.db2.gz RAZAURVESDHCNQ-CQSZACIVSA-N 1 3 345.409 2.550 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039135976 1315522026 /nfs/dbraw/zinc/52/20/26/1315522026.db2.gz JLDZEYMNQJSNPM-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039135976 1315522029 /nfs/dbraw/zinc/52/20/29/1315522029.db2.gz JLDZEYMNQJSNPM-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001221407297 1315522184 /nfs/dbraw/zinc/52/21/84/1315522184.db2.gz BDBWKDIHQYPURI-ZWMZRPRWSA-N 1 3 347.547 2.765 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001221407297 1315522186 /nfs/dbraw/zinc/52/21/86/1315522186.db2.gz BDBWKDIHQYPURI-ZWMZRPRWSA-N 1 3 347.547 2.765 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039138011 1315525616 /nfs/dbraw/zinc/52/56/16/1315525616.db2.gz UWCIOCLPCSHZER-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039138011 1315525620 /nfs/dbraw/zinc/52/56/20/1315525620.db2.gz UWCIOCLPCSHZER-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001054297842 1315535612 /nfs/dbraw/zinc/53/56/12/1315535612.db2.gz DDMXVRSCOZLYOG-BHIYHBOVSA-N 1 3 331.504 2.914 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544231 1315549535 /nfs/dbraw/zinc/54/95/35/1315549535.db2.gz QHSPGDZDTPHDOZ-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221544231 1315549537 /nfs/dbraw/zinc/54/95/37/1315549537.db2.gz QHSPGDZDTPHDOZ-GUDVDZBRSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039159406 1315555753 /nfs/dbraw/zinc/55/57/53/1315555753.db2.gz MSWLEOVISYTIJV-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039159406 1315555756 /nfs/dbraw/zinc/55/57/56/1315555756.db2.gz MSWLEOVISYTIJV-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159337 1315556027 /nfs/dbraw/zinc/55/60/27/1315556027.db2.gz KQZYGGLUKVNDGO-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159337 1315556031 /nfs/dbraw/zinc/55/60/31/1315556031.db2.gz KQZYGGLUKVNDGO-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588068 1315557850 /nfs/dbraw/zinc/55/78/50/1315557850.db2.gz RTWQOTTYKQPEQN-FGTMMUONSA-N 1 3 341.515 2.779 20 0 EFADHO CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588068 1315557855 /nfs/dbraw/zinc/55/78/55/1315557855.db2.gz RTWQOTTYKQPEQN-FGTMMUONSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221595261 1315558087 /nfs/dbraw/zinc/55/80/87/1315558087.db2.gz ZULPBJYGRCPIQI-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC(C)C)C[C@H]21 ZINC001221595261 1315558091 /nfs/dbraw/zinc/55/80/91/1315558091.db2.gz ZULPBJYGRCPIQI-GUDVDZBRSA-N 1 3 335.536 2.830 20 0 EFADHO CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588111 1315558500 /nfs/dbraw/zinc/55/85/00/1315558500.db2.gz UMLQEPIHBNEJMK-CNPAMDGFSA-N 1 3 339.499 2.555 20 0 EFADHO CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001221588111 1315558505 /nfs/dbraw/zinc/55/85/05/1315558505.db2.gz UMLQEPIHBNEJMK-CNPAMDGFSA-N 1 3 339.499 2.555 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001039163631 1315561724 /nfs/dbraw/zinc/56/17/24/1315561724.db2.gz DWUYPTPIODKIQA-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001039163631 1315561728 /nfs/dbraw/zinc/56/17/28/1315561728.db2.gz DWUYPTPIODKIQA-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001039163629 1315561901 /nfs/dbraw/zinc/56/19/01/1315561901.db2.gz DWUYPTPIODKIQA-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001039163629 1315561904 /nfs/dbraw/zinc/56/19/04/1315561904.db2.gz DWUYPTPIODKIQA-PXNSSMCTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165781 1315565003 /nfs/dbraw/zinc/56/50/03/1315565003.db2.gz SSZNRTLKKGFMSU-ICSRJNTNSA-N 1 3 347.547 2.855 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)C1 ZINC001039165781 1315565006 /nfs/dbraw/zinc/56/50/06/1315565006.db2.gz SSZNRTLKKGFMSU-ICSRJNTNSA-N 1 3 347.547 2.855 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CC4CCC4)C3)CC2)C1 ZINC001039166121 1315566193 /nfs/dbraw/zinc/56/61/93/1315566193.db2.gz VQRSKRLMKMOFJF-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CC4CCC4)C3)CC2)C1 ZINC001039166121 1315566199 /nfs/dbraw/zinc/56/61/99/1315566199.db2.gz VQRSKRLMKMOFJF-YLJYHZDGSA-N 1 3 347.547 2.689 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001221657247 1315571341 /nfs/dbraw/zinc/57/13/41/1315571341.db2.gz PTMDNQIBJRSBRR-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001221657247 1315571345 /nfs/dbraw/zinc/57/13/45/1315571345.db2.gz PTMDNQIBJRSBRR-KZNAEPCWSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054736526 1315572751 /nfs/dbraw/zinc/57/27/51/1315572751.db2.gz KFZYHAKDCIYCFS-VQIMIIECSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)c1 ZINC001054735771 1315572769 /nfs/dbraw/zinc/57/27/69/1315572769.db2.gz HNSAOCNCINZILP-YLJYHZDGSA-N 1 3 343.515 2.724 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCCCc1ccc(Br)cc1 ZINC001253175575 1315576683 /nfs/dbraw/zinc/57/66/83/1315576683.db2.gz PVBUQOFJLOBZAG-MRXNPFEDSA-N 1 3 343.309 2.674 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](C3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC001039172847 1315576894 /nfs/dbraw/zinc/57/68/94/1315576894.db2.gz HAVZVNLBRBOQGU-QLOJAFMTSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](C3CCN(C(=O)CN4CCCC4)CC3)C2)C1 ZINC001039172847 1315576897 /nfs/dbraw/zinc/57/68/97/1315576897.db2.gz HAVZVNLBRBOQGU-QLOJAFMTSA-N 1 3 347.547 2.689 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCCCc1cccc(C(F)(F)F)c1 ZINC001253208225 1315580615 /nfs/dbraw/zinc/58/06/15/1315580615.db2.gz OMKZSEBBKYGPCN-MRXNPFEDSA-N 1 3 332.410 2.930 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccc(OC)cc2)CCC1 ZINC001253212835 1315581687 /nfs/dbraw/zinc/58/16/87/1315581687.db2.gz IUTVQUAVEDORBL-SFHVURJKSA-N 1 3 334.504 2.700 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC001039211427 1315626450 /nfs/dbraw/zinc/62/64/50/1315626450.db2.gz APSAOFUNKXBPEF-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC001039211427 1315626455 /nfs/dbraw/zinc/62/64/55/1315626455.db2.gz APSAOFUNKXBPEF-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CCC[NH+](CCC)CCCN1CCN(C[C@H](O)C(C)(C)C)CC1 ZINC001253731323 1315633323 /nfs/dbraw/zinc/63/33/23/1315633323.db2.gz OAJIFRMDZDOMNL-SFHVURJKSA-N 1 3 327.557 2.523 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC001253831381 1315643513 /nfs/dbraw/zinc/64/35/13/1315643513.db2.gz FWLWWEISUDZCQZ-LJQANCHMSA-N 1 3 334.504 2.931 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC001253831381 1315643517 /nfs/dbraw/zinc/64/35/17/1315643517.db2.gz FWLWWEISUDZCQZ-LJQANCHMSA-N 1 3 334.504 2.931 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1F ZINC001000191956 1315648317 /nfs/dbraw/zinc/64/83/17/1315648317.db2.gz LKFTZAJCXCCJKZ-SJLPKXTDSA-N 1 3 347.478 2.699 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001000314568 1315653719 /nfs/dbraw/zinc/65/37/19/1315653719.db2.gz YQUGKMJRKSDGPE-GOSISDBHSA-N 1 3 338.455 2.610 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)C1 ZINC001000333758 1315654656 /nfs/dbraw/zinc/65/46/56/1315654656.db2.gz RLXGAGDMXHVHTG-INIZCTEOSA-N 1 3 347.528 2.561 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC2(C3CCN(Cc4ccsc4)CC3)CC2)C1 ZINC001000333758 1315654658 /nfs/dbraw/zinc/65/46/58/1315654658.db2.gz RLXGAGDMXHVHTG-INIZCTEOSA-N 1 3 347.528 2.561 20 0 EFADHO OC1(CN2CC3(C2)CC(F)(F)C3)CC[NH+](Cc2ccccc2)CC1 ZINC001254030042 1315666456 /nfs/dbraw/zinc/66/64/56/1315666456.db2.gz UKMWFRVHODWCEM-UHFFFAOYSA-N 1 3 336.426 2.745 20 0 EFADHO OC1(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029947 1315666503 /nfs/dbraw/zinc/66/65/03/1315666503.db2.gz MRKKPTUCICBHLG-PMACEKPBSA-N 1 3 344.499 2.514 20 0 EFADHO OC1(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CCN(Cc2ccccc2)CC1 ZINC001254029947 1315666507 /nfs/dbraw/zinc/66/65/07/1315666507.db2.gz MRKKPTUCICBHLG-PMACEKPBSA-N 1 3 344.499 2.514 20 0 EFADHO CCO[C@@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038130 1315667471 /nfs/dbraw/zinc/66/74/71/1315667471.db2.gz ZFZJUYOZLMQJLX-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CCO[C@@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038130 1315667472 /nfs/dbraw/zinc/66/74/72/1315667472.db2.gz ZFZJUYOZLMQJLX-LJQANCHMSA-N 1 3 332.488 2.514 20 0 EFADHO CN(Cc1ccncc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254034006 1315667768 /nfs/dbraw/zinc/66/77/68/1315667768.db2.gz DFLQPRRGVKUNEG-UHFFFAOYSA-N 1 3 325.456 2.541 20 0 EFADHO C[N@H+](Cc1ccncc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034006 1315667771 /nfs/dbraw/zinc/66/77/71/1315667771.db2.gz DFLQPRRGVKUNEG-UHFFFAOYSA-N 1 3 325.456 2.541 20 0 EFADHO C[N@@H+](Cc1ccncc1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034006 1315667774 /nfs/dbraw/zinc/66/77/74/1315667774.db2.gz DFLQPRRGVKUNEG-UHFFFAOYSA-N 1 3 325.456 2.541 20 0 EFADHO OC1(C[N@@H+]2CCC3(C2)CCOCC3)CCN(Cc2ccccc2)CC1 ZINC001254038562 1315667803 /nfs/dbraw/zinc/66/78/03/1315667803.db2.gz ISLSSQRQPKSRHS-UHFFFAOYSA-N 1 3 344.499 2.516 20 0 EFADHO OC1(C[N@H+]2CCC3(C2)CCOCC3)CCN(Cc2ccccc2)CC1 ZINC001254038562 1315667806 /nfs/dbraw/zinc/66/78/06/1315667806.db2.gz ISLSSQRQPKSRHS-UHFFFAOYSA-N 1 3 344.499 2.516 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@H]3Cc4ccc(Br)cc4C3)C[C@H]2C1 ZINC001254289291 1315691256 /nfs/dbraw/zinc/69/12/56/1315691256.db2.gz SAMVVURFRQGRGV-INMHGKMJSA-N 1 3 335.289 2.800 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC2 ZINC001254206346 1315682003 /nfs/dbraw/zinc/68/20/03/1315682003.db2.gz TWEFOADJKAGQKY-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001254305768 1315693657 /nfs/dbraw/zinc/69/36/57/1315693657.db2.gz YAHCGNFJBQQINL-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C1 ZINC001254305768 1315693659 /nfs/dbraw/zinc/69/36/59/1315693659.db2.gz YAHCGNFJBQQINL-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO CC(=O)N1CCC([NH+]2CCC3(CCN(Cc4ccoc4)C3)CC2)CC1 ZINC001254425974 1315703606 /nfs/dbraw/zinc/70/36/06/1315703606.db2.gz PEBLWQMYRTYQFI-UHFFFAOYSA-N 1 3 345.487 2.578 20 0 EFADHO CCC[C@H](CCc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001254498527 1315709232 /nfs/dbraw/zinc/70/92/32/1315709232.db2.gz MKQFJIUMCFFEEA-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO CCC[C@H](CCc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001254498527 1315709235 /nfs/dbraw/zinc/70/92/35/1315709235.db2.gz MKQFJIUMCFFEEA-HXUWFJFHSA-N 1 3 345.531 2.884 20 0 EFADHO C[N@@H+]1CCC[C@H](NCCOc2cccc(Br)c2)CC1 ZINC001254498408 1315709631 /nfs/dbraw/zinc/70/96/31/1315709631.db2.gz ZISJIRIVHZZDFE-AWEZNQCLSA-N 1 3 327.266 2.902 20 0 EFADHO C[N@H+]1CCC[C@H](NCCOc2cccc(Br)c2)CC1 ZINC001254498408 1315709634 /nfs/dbraw/zinc/70/96/34/1315709634.db2.gz ZISJIRIVHZZDFE-AWEZNQCLSA-N 1 3 327.266 2.902 20 0 EFADHO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001254498526 1315709676 /nfs/dbraw/zinc/70/96/76/1315709676.db2.gz MKQFJIUMCFFEEA-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCC[C@@H](CCc1ccccc1)[N@@H+]1CCC(=O)N(CCN(C)C)CC1 ZINC001254498526 1315709677 /nfs/dbraw/zinc/70/96/77/1315709677.db2.gz MKQFJIUMCFFEEA-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO C[C@H]1CC[N@@H+]([C@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519078 1315713565 /nfs/dbraw/zinc/71/35/65/1315713565.db2.gz GMCVYFXTZOTANL-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@H]1CC[N@H+]([C@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519078 1315713568 /nfs/dbraw/zinc/71/35/68/1315713568.db2.gz GMCVYFXTZOTANL-HOTGVXAUSA-N 1 3 325.497 2.802 20 0 EFADHO CN1CCC[C@H]([NH+]2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)CC1 ZINC001254523726 1315716879 /nfs/dbraw/zinc/71/68/79/1315716879.db2.gz VQRACNSSQVAOCH-OALUTQOASA-N 1 3 347.547 2.879 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001254530570 1315719068 /nfs/dbraw/zinc/71/90/68/1315719068.db2.gz YSMUWQOQRDCILK-GOSISDBHSA-N 1 3 349.906 2.972 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001254530570 1315719070 /nfs/dbraw/zinc/71/90/70/1315719070.db2.gz YSMUWQOQRDCILK-GOSISDBHSA-N 1 3 349.906 2.972 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001254528759 1315719850 /nfs/dbraw/zinc/71/98/50/1315719850.db2.gz ABJXXUWVRFJCOU-CVEARBPZSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)CC1 ZINC001254528759 1315719851 /nfs/dbraw/zinc/71/98/51/1315719851.db2.gz ABJXXUWVRFJCOU-CVEARBPZSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254532840 1315720175 /nfs/dbraw/zinc/72/01/75/1315720175.db2.gz XYOHPNHWSALJPT-GOSISDBHSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 ZINC001254532840 1315720177 /nfs/dbraw/zinc/72/01/77/1315720177.db2.gz XYOHPNHWSALJPT-GOSISDBHSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC001254531794 1315720644 /nfs/dbraw/zinc/72/06/44/1315720644.db2.gz MABZLZOOFVHPGE-GOSISDBHSA-N 1 3 333.451 2.504 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC(NC(=O)c3cccc(F)c3)CC2)CC1 ZINC001254531794 1315720647 /nfs/dbraw/zinc/72/06/47/1315720647.db2.gz MABZLZOOFVHPGE-GOSISDBHSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@H]([N@@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1 ZINC001254531715 1315720864 /nfs/dbraw/zinc/72/08/64/1315720864.db2.gz KSBCJRYEXQSUGV-JKSUJKDBSA-N 1 3 345.462 2.730 20 0 EFADHO CN1CCC[C@H]([N@H+]2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)CC1 ZINC001254531715 1315720867 /nfs/dbraw/zinc/72/08/67/1315720867.db2.gz KSBCJRYEXQSUGV-JKSUJKDBSA-N 1 3 345.462 2.730 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157807 1315745914 /nfs/dbraw/zinc/74/59/14/1315745914.db2.gz MECXWYACRWMXTC-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001050157807 1315745916 /nfs/dbraw/zinc/74/59/16/1315745916.db2.gz MECXWYACRWMXTC-GBESFXJTSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001039385097 1315754795 /nfs/dbraw/zinc/75/47/95/1315754795.db2.gz YECQHQKXWMJQCD-AQNXPRMDSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039385097 1315754799 /nfs/dbraw/zinc/75/47/99/1315754799.db2.gz YECQHQKXWMJQCD-AQNXPRMDSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388379 1315757294 /nfs/dbraw/zinc/75/72/94/1315757294.db2.gz OWXASNTUMLEBDN-QRVBRYPASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388379 1315757298 /nfs/dbraw/zinc/75/72/98/1315757298.db2.gz OWXASNTUMLEBDN-QRVBRYPASA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388378 1315757429 /nfs/dbraw/zinc/75/74/29/1315757429.db2.gz OWXASNTUMLEBDN-OTWHNJEPSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388378 1315757431 /nfs/dbraw/zinc/75/74/31/1315757431.db2.gz OWXASNTUMLEBDN-OTWHNJEPSA-N 1 3 333.520 2.892 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2 ZINC001254914448 1315758704 /nfs/dbraw/zinc/75/87/04/1315758704.db2.gz XYVNIDKNHZUFAS-BJWYYQGGSA-N 1 3 349.519 2.660 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C1)CC2 ZINC001254914449 1315758711 /nfs/dbraw/zinc/75/87/11/1315758711.db2.gz XYVNIDKNHZUFAS-FVQHAEBGSA-N 1 3 349.519 2.660 20 0 EFADHO O=C1C[C@H]2C[C@H]([NH2+]CC3CCN(Cc4cccnc4)CC3)C[C@H]2C1 ZINC001254933170 1315759988 /nfs/dbraw/zinc/75/99/88/1315759988.db2.gz DMJUVRWVDDWTGN-BWTSREIZSA-N 1 3 327.472 2.641 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001254982470 1315767810 /nfs/dbraw/zinc/76/78/10/1315767810.db2.gz UOXQQPLXDYWNNH-RZFLPCETSA-N 1 3 349.519 2.658 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@@H]3C[C@H]4C[C@@H](C3)N(C(=O)OC(C)(C)C)C4)C[C@@H]2C1 ZINC001254982470 1315767814 /nfs/dbraw/zinc/76/78/14/1315767814.db2.gz UOXQQPLXDYWNNH-RZFLPCETSA-N 1 3 349.519 2.658 20 0 EFADHO c1ccc2c(c1)CC([N@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001255024813 1315772795 /nfs/dbraw/zinc/77/27/95/1315772795.db2.gz PXAFSSZYJWTXGY-RBBKRZOGSA-N 1 3 340.511 2.977 20 0 EFADHO c1ccc2c(c1)CC([N@@H+]1C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C1)C2 ZINC001255024813 1315772797 /nfs/dbraw/zinc/77/27/97/1315772797.db2.gz PXAFSSZYJWTXGY-RBBKRZOGSA-N 1 3 340.511 2.977 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255125711 1315779258 /nfs/dbraw/zinc/77/92/58/1315779258.db2.gz DXXNKSSSDPAHLK-BSHDOZJQSA-N 1 3 328.456 2.723 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255125711 1315779262 /nfs/dbraw/zinc/77/92/62/1315779262.db2.gz DXXNKSSSDPAHLK-BSHDOZJQSA-N 1 3 328.456 2.723 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC(N4CCCC4)C2)C3)cc1 ZINC001255143385 1315781760 /nfs/dbraw/zinc/78/17/60/1315781760.db2.gz LBYFPBNEDSQFNW-ACDBMABISA-N 1 3 325.500 2.962 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N2CC(N4CCCC4)C2)C3)cc1 ZINC001255143385 1315781762 /nfs/dbraw/zinc/78/17/62/1315781762.db2.gz LBYFPBNEDSQFNW-ACDBMABISA-N 1 3 325.500 2.962 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCN(C/C=C\Cl)CC2)[NH+]1CCCC1 ZINC001050616939 1315786691 /nfs/dbraw/zinc/78/66/91/1315786691.db2.gz HLSLLXLRIPFOQC-YVMONPNESA-N 1 3 339.911 2.538 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCN1CCC(C)CC1)C2 ZINC001255188869 1315788968 /nfs/dbraw/zinc/78/89/68/1315788968.db2.gz PREJUSZMRSVFPA-BCDXTJNWSA-N 1 3 337.508 2.850 20 0 EFADHO CCCCN(C)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255188957 1315789040 /nfs/dbraw/zinc/78/90/40/1315789040.db2.gz QVCRCEULRNMMCP-OSYLJGHBSA-N 1 3 325.497 2.850 20 0 EFADHO CC1CC(C[NH+]2CCC3(CN(C(=O)CN4CCC(C)(C)C4)C3)CC2)C1 ZINC001050660852 1315791374 /nfs/dbraw/zinc/79/13/74/1315791374.db2.gz GJAWMAXSBPFAKE-UHFFFAOYSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050661239 1315791797 /nfs/dbraw/zinc/79/17/97/1315791797.db2.gz QSCLEPVKZGAQSH-UHFFFAOYSA-N 1 3 333.520 2.609 20 0 EFADHO CCC(CC)C[NH+]1CCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001050662560 1315792696 /nfs/dbraw/zinc/79/26/96/1315792696.db2.gz KNUQOSNDOMJGMZ-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001050663604 1315794179 /nfs/dbraw/zinc/79/41/79/1315794179.db2.gz WADBUUVJDVHJEL-KRWDZBQOSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[NH+](Cc1ccc(F)cc1)CC2)N(C)C ZINC001050667986 1315796841 /nfs/dbraw/zinc/79/68/41/1315796841.db2.gz FJNYCMGZTOXXAE-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO CCCC[C@@H](C)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001255309236 1315802825 /nfs/dbraw/zinc/80/28/25/1315802825.db2.gz AMVMNYTUIYOLKF-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000724027101 1315803479 /nfs/dbraw/zinc/80/34/79/1315803479.db2.gz IGWZPFNTIHWBHZ-GVDBMIGSSA-N 1 3 339.524 3.000 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460575 1315806692 /nfs/dbraw/zinc/80/66/92/1315806692.db2.gz WTOVPTIVFMIBAW-CVEARBPZSA-N 1 3 332.492 2.799 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460575 1315806696 /nfs/dbraw/zinc/80/66/96/1315806696.db2.gz WTOVPTIVFMIBAW-CVEARBPZSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460310 1315806917 /nfs/dbraw/zinc/80/69/17/1315806917.db2.gz KIBDMZAYKWTZPD-OAGGEKHMSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC001039460310 1315806921 /nfs/dbraw/zinc/80/69/21/1315806921.db2.gz KIBDMZAYKWTZPD-OAGGEKHMSA-N 1 3 332.492 2.799 20 0 EFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001039470127 1315814542 /nfs/dbraw/zinc/81/45/42/1315814542.db2.gz QSNHJHHZJOGFPV-ZCNNSNEGSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001039470127 1315814543 /nfs/dbraw/zinc/81/45/43/1315814543.db2.gz QSNHJHHZJOGFPV-ZCNNSNEGSA-N 1 3 341.499 2.512 20 0 EFADHO COCCN1CCC([NH2+][C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255391748 1315815125 /nfs/dbraw/zinc/81/51/25/1315815125.db2.gz SOIBEKPHWFAFGZ-FQEVSTJZSA-N 1 3 345.531 2.742 20 0 EFADHO OC[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397855 1315816385 /nfs/dbraw/zinc/81/63/85/1315816385.db2.gz HXCPMQGIHNAIMY-ZWKOTPCHSA-N 1 3 338.442 2.991 20 0 EFADHO OC[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)CCC1(F)F ZINC001255397855 1315816387 /nfs/dbraw/zinc/81/63/87/1315816387.db2.gz HXCPMQGIHNAIMY-ZWKOTPCHSA-N 1 3 338.442 2.991 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473902 1315816899 /nfs/dbraw/zinc/81/68/99/1315816899.db2.gz HZYVEIUULQHFKN-MSOLQXFVSA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CN(C)C ZINC001039473902 1315816902 /nfs/dbraw/zinc/81/69/02/1315816902.db2.gz HZYVEIUULQHFKN-MSOLQXFVSA-N 1 3 329.488 2.837 20 0 EFADHO CCOC(=O)[C@H]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403801 1315817467 /nfs/dbraw/zinc/81/74/67/1315817467.db2.gz GXNZYPIGAZNVLL-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO CCOC(=O)[C@H]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403801 1315817471 /nfs/dbraw/zinc/81/74/71/1315817471.db2.gz GXNZYPIGAZNVLL-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO N=c1sc2c(n1[C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CCNC2 ZINC001255403295 1315817819 /nfs/dbraw/zinc/81/78/19/1315817819.db2.gz CYBKPOFKPBDZFV-MRXNPFEDSA-N 1 3 342.512 2.902 20 0 EFADHO N=c1sc2c(n1[C@@H]1CCC[N@@H+](Cc3ccccc3)CC1)CCNC2 ZINC001255403295 1315817826 /nfs/dbraw/zinc/81/78/26/1315817826.db2.gz CYBKPOFKPBDZFV-MRXNPFEDSA-N 1 3 342.512 2.902 20 0 EFADHO CCOC(=O)[C@@H]1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403803 1315817853 /nfs/dbraw/zinc/81/78/53/1315817853.db2.gz GXNZYPIGAZNVLL-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO CCOC(=O)[C@@H]1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403803 1315817857 /nfs/dbraw/zinc/81/78/57/1315817857.db2.gz GXNZYPIGAZNVLL-RTBURBONSA-N 1 3 330.472 2.926 20 0 EFADHO FC(F)(F)CN1CC([NH2+][C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255398502 1315818240 /nfs/dbraw/zinc/81/82/40/1315818240.db2.gz WLAXOQUEEBUDCQ-INIZCTEOSA-N 1 3 341.421 2.877 20 0 EFADHO c1ccc(CN2CCC[C@@H]([N@@H+]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC001255408591 1315818491 /nfs/dbraw/zinc/81/84/91/1315818491.db2.gz OGBWZBLYJLIOLF-HXUWFJFHSA-N 1 3 344.499 2.923 20 0 EFADHO c1ccc(CN2CCC[C@@H]([N@H+]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC001255408591 1315818494 /nfs/dbraw/zinc/81/84/94/1315818494.db2.gz OGBWZBLYJLIOLF-HXUWFJFHSA-N 1 3 344.499 2.923 20 0 EFADHO CCNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255410031 1315819802 /nfs/dbraw/zinc/81/98/02/1315819802.db2.gz PPDZUXBHOPYMJH-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO CCNC(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255410031 1315819804 /nfs/dbraw/zinc/81/98/04/1315819804.db2.gz PPDZUXBHOPYMJH-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](CC2CC2)CC2CCC2)CC1)C1CC1 ZINC001039486653 1315834710 /nfs/dbraw/zinc/83/47/10/1315834710.db2.gz PHINMFRKNRDOCD-HXUWFJFHSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](CC2CC2)CC2CCC2)CC1)C1CC1 ZINC001039486653 1315834712 /nfs/dbraw/zinc/83/47/12/1315834712.db2.gz PHINMFRKNRDOCD-HXUWFJFHSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1)N(C)C ZINC001039487092 1315835677 /nfs/dbraw/zinc/83/56/77/1315835677.db2.gz ZUEHWDFYRLTRSN-IBGZPJMESA-N 1 3 335.536 2.686 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039489111 1315838725 /nfs/dbraw/zinc/83/87/25/1315838725.db2.gz LEZGZDOKSMVDKM-INIZCTEOSA-N 1 3 333.520 2.584 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039492916 1315842158 /nfs/dbraw/zinc/84/21/58/1315842158.db2.gz ZXQOGNDBZNXQPQ-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1cc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC001255684265 1315858945 /nfs/dbraw/zinc/85/89/45/1315858945.db2.gz WJQFFLKYRJJOAK-SJPCQFCGSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC001255684265 1315858948 /nfs/dbraw/zinc/85/89/48/1315858948.db2.gz WJQFFLKYRJJOAK-SJPCQFCGSA-N 1 3 330.476 2.644 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589593 1315880777 /nfs/dbraw/zinc/88/07/77/1315880777.db2.gz GDERQNJNBKTAIT-WCIQWLHISA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589593 1315880780 /nfs/dbraw/zinc/88/07/80/1315880780.db2.gz GDERQNJNBKTAIT-WCIQWLHISA-N 1 3 345.531 2.726 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)N2CCCCC2)CC1 ZINC001255942091 1315883173 /nfs/dbraw/zinc/88/31/73/1315883173.db2.gz DGSHURMXYTVZLK-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001255953040 1315883829 /nfs/dbraw/zinc/88/38/29/1315883829.db2.gz HYTFGFZSBICQEM-CVEARBPZSA-N 1 3 335.467 2.750 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001255952627 1315884018 /nfs/dbraw/zinc/88/40/18/1315884018.db2.gz GCELQJMZZWEASK-QAPCUYQASA-N 1 3 335.467 2.750 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2ccc(OC)cn2)CCOCC1 ZINC001255952479 1315884040 /nfs/dbraw/zinc/88/40/40/1315884040.db2.gz MUAZAZBTFMDHPS-QGZVFWFLSA-N 1 3 349.519 2.848 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C1CCN(C(=O)N(CC)CC)CC1 ZINC001255952715 1315884132 /nfs/dbraw/zinc/88/41/32/1315884132.db2.gz GWTJFZBAKFKZID-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001255956494 1315884654 /nfs/dbraw/zinc/88/46/54/1315884654.db2.gz KPJOROGWESAOEM-VQHPVUNQSA-N 1 3 339.524 2.809 20 0 EFADHO CCN(CC)CC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001255956494 1315884656 /nfs/dbraw/zinc/88/46/56/1315884656.db2.gz KPJOROGWESAOEM-VQHPVUNQSA-N 1 3 339.524 2.809 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001255962002 1315885777 /nfs/dbraw/zinc/88/57/77/1315885777.db2.gz RSULEUFZBNBZKB-HFSMHLIXSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001255962002 1315885780 /nfs/dbraw/zinc/88/57/80/1315885780.db2.gz RSULEUFZBNBZKB-HFSMHLIXSA-N 1 3 343.515 2.713 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001255961987 1315886148 /nfs/dbraw/zinc/88/61/48/1315886148.db2.gz YSKQCOOPCJYQOO-SFHVURJKSA-N 1 3 330.520 2.710 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001255962925 1315886654 /nfs/dbraw/zinc/88/66/54/1315886654.db2.gz LQVHVQYJXQJOCF-FBBABVLZSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001255962925 1315886657 /nfs/dbraw/zinc/88/66/57/1315886657.db2.gz LQVHVQYJXQJOCF-FBBABVLZSA-N 1 3 343.515 2.713 20 0 EFADHO NCCC[N@H+](C1CCCCC1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255970430 1315887509 /nfs/dbraw/zinc/88/75/09/1315887509.db2.gz SQZXKVBTYGYREU-UHFFFAOYSA-N 1 3 335.414 2.523 20 0 EFADHO NCCC[N@@H+](C1CCCCC1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255970430 1315887512 /nfs/dbraw/zinc/88/75/12/1315887512.db2.gz SQZXKVBTYGYREU-UHFFFAOYSA-N 1 3 335.414 2.523 20 0 EFADHO CCC[NH2+][C@H]1CCc2c(sc(=N)n2C2CCN(C3CC3)CC2)C1 ZINC001256080521 1315901747 /nfs/dbraw/zinc/90/17/47/1315901747.db2.gz YIHRDRLIHGHEEI-ZDUSSCGKSA-N 1 3 334.533 2.685 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039717857 1315911570 /nfs/dbraw/zinc/91/15/70/1315911570.db2.gz FYKPFEAJASWBSQ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039717857 1315911572 /nfs/dbraw/zinc/91/15/72/1315911572.db2.gz FYKPFEAJASWBSQ-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[C@H](C)[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001256363652 1315931596 /nfs/dbraw/zinc/93/15/96/1315931596.db2.gz LOTUTGUVZWHRHD-KRWDZBQOSA-N 1 3 333.520 2.635 20 0 EFADHO CC(C)CC[C@H](C)[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001256363652 1315931597 /nfs/dbraw/zinc/93/15/97/1315931597.db2.gz LOTUTGUVZWHRHD-KRWDZBQOSA-N 1 3 333.520 2.635 20 0 EFADHO C[C@@H](Cc1ccccn1)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001256397184 1315935007 /nfs/dbraw/zinc/93/50/07/1315935007.db2.gz FDFXUTYLVJSYHL-SFHVURJKSA-N 1 3 338.499 2.550 20 0 EFADHO COC(=O)C12CC(N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)(C1)C2 ZINC001256523544 1315951021 /nfs/dbraw/zinc/95/10/21/1315951021.db2.gz PSJOAPHKTQHHFP-CAJUJLTQSA-N 1 3 328.456 2.725 20 0 EFADHO COC(=O)C12CC(N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)(C1)C2 ZINC001256523544 1315951024 /nfs/dbraw/zinc/95/10/24/1315951024.db2.gz PSJOAPHKTQHHFP-CAJUJLTQSA-N 1 3 328.456 2.725 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC001256540795 1315954881 /nfs/dbraw/zinc/95/48/81/1315954881.db2.gz ZNAVMUQRBHZFGU-NSISKUIASA-N 1 3 325.456 2.758 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC001256540795 1315954884 /nfs/dbraw/zinc/95/48/84/1315954884.db2.gz ZNAVMUQRBHZFGU-NSISKUIASA-N 1 3 325.456 2.758 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256558693 1315958848 /nfs/dbraw/zinc/95/88/48/1315958848.db2.gz UJJFQGGZPMYVGL-AYWYSENESA-N 1 3 327.516 2.923 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@@H]2C1 ZINC001256558693 1315958850 /nfs/dbraw/zinc/95/88/50/1315958850.db2.gz UJJFQGGZPMYVGL-AYWYSENESA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)(C)N1CCC([NH2+][C@H]2CCN(C(=O)c3ccc(F)cc3)C2)CC1 ZINC001256565478 1315960186 /nfs/dbraw/zinc/96/01/86/1315960186.db2.gz IAXRWQMBRZZVGZ-SFHVURJKSA-N 1 3 347.478 2.893 20 0 EFADHO CC(C)(C)N1CCC([NH2+]CC2CCN(c3ccncn3)CC2)CC1 ZINC001256566211 1315960207 /nfs/dbraw/zinc/96/02/07/1315960207.db2.gz RBULVCUEHSCLEO-UHFFFAOYSA-N 1 3 331.508 2.546 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(C3CC[NH+](C(C)(C)C)CC3)C[C@H]21 ZINC001256569992 1315960680 /nfs/dbraw/zinc/96/06/80/1315960680.db2.gz VPJJOULQSCBSLP-MUJYYYPQSA-N 1 3 337.508 2.704 20 0 EFADHO CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256566756 1315960803 /nfs/dbraw/zinc/96/08/03/1315960803.db2.gz YETYVVWNJRBCHU-BQYQJAHWSA-N 1 3 325.497 2.920 20 0 EFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001256571817 1315961780 /nfs/dbraw/zinc/96/17/80/1315961780.db2.gz LAXTXCHZHPSZOU-ICSRJNTNSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C)N1CCC([N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001256571817 1315961781 /nfs/dbraw/zinc/96/17/81/1315961781.db2.gz LAXTXCHZHPSZOU-ICSRJNTNSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1)[NH+]1CCCC1 ZINC001039822034 1315963335 /nfs/dbraw/zinc/96/33/35/1315963335.db2.gz ASEQVFMOMSEYQS-HDICACEKSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)N1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)[C@H](C)C1 ZINC001256587492 1315965635 /nfs/dbraw/zinc/96/56/35/1315965635.db2.gz INXQTBGERNOYTE-XLIONFOSSA-N 1 3 330.520 2.754 20 0 EFADHO CC(C)[C@@H]1[NH2+]CCc2ncn(C3CCN(Cc4ccncc4)CC3)c21 ZINC001256594044 1315966198 /nfs/dbraw/zinc/96/61/98/1315966198.db2.gz MHGNVBKIOQKMHO-IBGZPJMESA-N 1 3 339.487 2.958 20 0 EFADHO O=C1Nc2ccccc2[C@@H]1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC001256604428 1315967792 /nfs/dbraw/zinc/96/77/92/1315967792.db2.gz LNOWELSDKWLVLE-IBGZPJMESA-N 1 3 335.451 2.977 20 0 EFADHO CC(=O)N(C)C1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256608515 1315968260 /nfs/dbraw/zinc/96/82/60/1315968260.db2.gz AGGXXPRNJQKDFB-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO COc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC001256618509 1315969843 /nfs/dbraw/zinc/96/98/43/1315969843.db2.gz JDRKZXWUFPPGGF-IHWFROFDSA-N 1 3 343.515 2.874 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)N2C ZINC001256624220 1315970952 /nfs/dbraw/zinc/97/09/52/1315970952.db2.gz WDHZKUFPOSGJDH-AZCLRUCKSA-N 1 3 331.479 2.957 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)N2C ZINC001256624220 1315970956 /nfs/dbraw/zinc/97/09/56/1315970956.db2.gz WDHZKUFPOSGJDH-AZCLRUCKSA-N 1 3 331.479 2.957 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628629 1315972115 /nfs/dbraw/zinc/97/21/15/1315972115.db2.gz MSTDPSXMHKZFGK-TVXGVJEUSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628629 1315972119 /nfs/dbraw/zinc/97/21/19/1315972119.db2.gz MSTDPSXMHKZFGK-TVXGVJEUSA-N 1 3 337.508 2.943 20 0 EFADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001256629417 1315972611 /nfs/dbraw/zinc/97/26/11/1315972611.db2.gz FLSNIUDHYGEZPT-VEHMJYNQSA-N 1 3 346.446 2.639 20 0 EFADHO COC(=O)[C@H]1CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001256629417 1315972613 /nfs/dbraw/zinc/97/26/13/1315972613.db2.gz FLSNIUDHYGEZPT-VEHMJYNQSA-N 1 3 346.446 2.639 20 0 EFADHO COc1c(F)cc(F)cc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256674956 1315979401 /nfs/dbraw/zinc/97/94/01/1315979401.db2.gz AQQVBGHYMHRWIW-UHFFFAOYSA-N 1 3 340.414 2.706 20 0 EFADHO Cn1ccc2cc(C[NH2+]C3CCC(N4CCOCC4)CC3)ccc21 ZINC001256678231 1315979954 /nfs/dbraw/zinc/97/99/54/1315979954.db2.gz VEOSQMPXWHHSID-UHFFFAOYSA-N 1 3 327.472 2.911 20 0 EFADHO COc1ccc(O[C@H](C)C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256677316 1315979988 /nfs/dbraw/zinc/97/99/88/1315979988.db2.gz CCCHDOAWRBTOAI-WWDZGPRUSA-N 1 3 348.487 2.696 20 0 EFADHO CCOC(=O)CCCCCC[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679113 1315980181 /nfs/dbraw/zinc/98/01/81/1315980181.db2.gz DELJRZNQYOXZQQ-UHFFFAOYSA-N 1 3 340.508 2.733 20 0 EFADHO Cc1nc2cc(C[NH2+]C3CCC(N4CCOCC4)CC3)ccc2o1 ZINC001256679634 1315980273 /nfs/dbraw/zinc/98/02/73/1315980273.db2.gz PLOTWDOBPWPBSP-UHFFFAOYSA-N 1 3 329.444 2.869 20 0 EFADHO c1ccc(C2([NH2+]C3CCC(N4CCOCC4)CC3)CCOCC2)cc1 ZINC001256678836 1315980390 /nfs/dbraw/zinc/98/03/90/1315980390.db2.gz REYPKPIQFYPYOR-UHFFFAOYSA-N 1 3 344.499 2.925 20 0 EFADHO CCOC(=O)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256683598 1315981492 /nfs/dbraw/zinc/98/14/92/1315981492.db2.gz FIADZTBNCMNREB-UHFFFAOYSA-N 1 3 346.471 2.596 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256686791 1315981624 /nfs/dbraw/zinc/98/16/24/1315981624.db2.gz UTAFDQWRFSXXAR-IOJLRTSASA-N 1 3 344.499 2.786 20 0 EFADHO OC[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1Cl ZINC001256683551 1315981675 /nfs/dbraw/zinc/98/16/75/1315981675.db2.gz AVSYCRBOICKTPU-JTTJXQCZSA-N 1 3 338.879 2.606 20 0 EFADHO c1ccc(CC2([NH2+]C3CCC(N4CCOCC4)CC3)CCC2)nc1 ZINC001256687029 1315981683 /nfs/dbraw/zinc/98/16/83/1315981683.db2.gz KIDQNULZNZQDSA-UHFFFAOYSA-N 1 3 329.488 2.780 20 0 EFADHO Fc1cnc(Cl)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256683999 1315981747 /nfs/dbraw/zinc/98/17/47/1315981747.db2.gz KWBCWZIZUIYHOQ-UHFFFAOYSA-N 1 3 327.831 2.607 20 0 EFADHO C(C1CCCCC1)[NH+]1CCN(C2CCC(N3CCOCC3)CC2)CC1 ZINC001256689109 1315981937 /nfs/dbraw/zinc/98/19/37/1315981937.db2.gz PCKDGJHVVOYUNQ-UHFFFAOYSA-N 1 3 349.563 2.828 20 0 EFADHO [NH3+]Cc1cccc(-c2cncn2C2CCC(N3CCOCC3)CC2)c1 ZINC001256687885 1315982086 /nfs/dbraw/zinc/98/20/86/1315982086.db2.gz JNPJOXJDXPMMNG-UHFFFAOYSA-N 1 3 340.471 2.825 20 0 EFADHO Fc1ccc2c(c1)CC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256687721 1315982134 /nfs/dbraw/zinc/98/21/34/1315982134.db2.gz HACSUHSRIHDERV-GPJFCIFZSA-N 1 3 332.463 2.916 20 0 EFADHO CC(C)[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1cccc(N)n1 ZINC001256689131 1315982343 /nfs/dbraw/zinc/98/23/43/1315982343.db2.gz PTGJTOPEFMDIHE-LADRWXRNSA-N 1 3 332.492 2.594 20 0 EFADHO CC1(C)OCCC12CC[NH+](C1CCC(N3CCOCC3)CC1)CC2 ZINC001256696380 1315983471 /nfs/dbraw/zinc/98/34/71/1315983471.db2.gz CGBACWCBUTWJPF-UHFFFAOYSA-N 1 3 336.520 2.911 20 0 EFADHO Cc1cccc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)n1 ZINC001256855393 1315999288 /nfs/dbraw/zinc/99/92/88/1315999288.db2.gz LFLRHYSMXZNBNX-UHFFFAOYSA-N 1 3 337.471 2.576 20 0 EFADHO c1nc(CNC2CCN(c3cc[nH+]cc3)CC2)cn1CC1CCC1 ZINC001256854674 1315999480 /nfs/dbraw/zinc/99/94/80/1315999480.db2.gz YHSVYHBPZDQCTM-UHFFFAOYSA-N 1 3 325.460 2.837 20 0 EFADHO c1cc(CNC2CCN(c3cc[nH+]cc3)CC2)nc(OC2CCC2)n1 ZINC001256853337 1315999728 /nfs/dbraw/zinc/99/97/28/1315999728.db2.gz YDNUBLDRELRORW-UHFFFAOYSA-N 1 3 339.443 2.562 20 0 EFADHO COC(=O)c1ccc2c(c1)CN(C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001256865343 1316002136 /nfs/dbraw/zinc/00/21/36/1316002136.db2.gz ZAJXNPUIJMGZSH-UHFFFAOYSA-N 1 3 337.423 2.853 20 0 EFADHO C1CCC(N2CCC[C@@H]([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)C2)C1 ZINC001256906654 1316007247 /nfs/dbraw/zinc/00/72/47/1316007247.db2.gz TYLVHJVQQYAWEU-QWFCFKBJSA-N 1 3 335.536 2.626 20 0 EFADHO O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943136 1316026169 /nfs/dbraw/zinc/02/61/69/1316026169.db2.gz LZBMBSSLLPBJBB-HAGHYFMRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943136 1316026171 /nfs/dbraw/zinc/02/61/71/1316026171.db2.gz LZBMBSSLLPBJBB-HAGHYFMRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943139 1316026245 /nfs/dbraw/zinc/02/62/45/1316026245.db2.gz LZBMBSSLLPBJBB-ZRNYENFQSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039943139 1316026247 /nfs/dbraw/zinc/02/62/47/1316026247.db2.gz LZBMBSSLLPBJBB-ZRNYENFQSA-N 1 3 345.531 2.869 20 0 EFADHO CC[C@@H]1C[C@H](N2CCC(C)([NH3+])CC2)CCN1C(=O)OC(C)(C)C ZINC001257117100 1316036257 /nfs/dbraw/zinc/03/62/57/1316036257.db2.gz MBLMMMPYLOAVBG-HUUCEWRRSA-N 1 3 325.497 2.978 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001257160454 1316041476 /nfs/dbraw/zinc/04/14/76/1316041476.db2.gz AUHBXDGWTQHLQG-IPELMVKDSA-N 1 3 330.472 2.678 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001257160454 1316041479 /nfs/dbraw/zinc/04/14/79/1316041479.db2.gz AUHBXDGWTQHLQG-IPELMVKDSA-N 1 3 330.472 2.678 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039972567 1316042473 /nfs/dbraw/zinc/04/24/73/1316042473.db2.gz QYNQLBZRKCPMRV-WCIQWLHISA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CCN(C(=O)CC[NH2+]C(C)(C)C)CCN1Cc1ccccc1 ZINC000382765808 1316043770 /nfs/dbraw/zinc/04/37/70/1316043770.db2.gz TUZHIKKXIHCNNS-KRWDZBQOSA-N 1 3 331.504 2.888 20 0 EFADHO CO[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(C(C)C)CC1 ZINC001257213697 1316047108 /nfs/dbraw/zinc/04/71/08/1316047108.db2.gz SQNKSWIXTGHLCS-LEWJYISDSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C=C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001257213217 1316047176 /nfs/dbraw/zinc/04/71/76/1316047176.db2.gz IBSVZBRXNNNTBL-BPQIPLTHSA-N 1 3 349.519 2.870 20 0 EFADHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC001257213989 1316047728 /nfs/dbraw/zinc/04/77/28/1316047728.db2.gz VODCNLYYEBYSIU-KRWDZBQOSA-N 1 3 349.906 2.903 20 0 EFADHO CC(C)[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 ZINC001257215767 1316047957 /nfs/dbraw/zinc/04/79/57/1316047957.db2.gz YSNQHMHZSSNOQN-WBVHZDCISA-N 1 3 337.508 2.800 20 0 EFADHO CC(C)[NH+]1CCC(N2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001257216653 1316048514 /nfs/dbraw/zinc/04/85/14/1316048514.db2.gz GRNDKUBXIYDFBP-OAHLLOKOSA-N 1 3 325.497 2.706 20 0 EFADHO COC(=O)[C@@H]1CN(C2CC[NH+](C(C)C)CC2)C[C@@H]1c1ccccc1 ZINC001257223187 1316049475 /nfs/dbraw/zinc/04/94/75/1316049475.db2.gz MGILUKKOXAKQJN-RTBURBONSA-N 1 3 330.472 2.748 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001040006012 1316052264 /nfs/dbraw/zinc/05/22/64/1316052264.db2.gz OIOGRPQTZBPDRW-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CCCC2)C1 ZINC001040006012 1316052265 /nfs/dbraw/zinc/05/22/65/1316052265.db2.gz OIOGRPQTZBPDRW-GBESFXJTSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)C1 ZINC001040006217 1316052470 /nfs/dbraw/zinc/05/24/70/1316052470.db2.gz VQBUAJBQTDLNGS-QRVBRYPASA-N 1 3 345.531 2.584 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC3(CCC3)C2)C1 ZINC001040006217 1316052471 /nfs/dbraw/zinc/05/24/71/1316052471.db2.gz VQBUAJBQTDLNGS-QRVBRYPASA-N 1 3 345.531 2.584 20 0 EFADHO C[C@@H](CN)C[N@H+](C)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753661 1316090568 /nfs/dbraw/zinc/09/05/68/1316090568.db2.gz CTAJMAWGSLESKO-AWEZNQCLSA-N 1 3 325.497 2.693 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257753661 1316090570 /nfs/dbraw/zinc/09/05/70/1316090570.db2.gz CTAJMAWGSLESKO-AWEZNQCLSA-N 1 3 325.497 2.693 20 0 EFADHO CC(C)CN1CCC([NH2+]CC2(c3ccc(F)cn3)CCOCC2)CC1 ZINC001258007754 1316109618 /nfs/dbraw/zinc/10/96/18/1316109618.db2.gz RIJLNIVVGIXYCM-UHFFFAOYSA-N 1 3 349.494 2.979 20 0 EFADHO CC(C)C[NH+]1CCC(NCC2(c3ccc(F)cn3)CCOCC2)CC1 ZINC001258007754 1316109619 /nfs/dbraw/zinc/10/96/19/1316109619.db2.gz RIJLNIVVGIXYCM-UHFFFAOYSA-N 1 3 349.494 2.979 20 0 EFADHO CC(C)CN1CCC([NH2+][C@@H](CO)Cc2ccc(F)cc2F)CC1 ZINC001258009055 1316109627 /nfs/dbraw/zinc/10/96/27/1316109627.db2.gz ORLWHKVCXTUDJS-QGZVFWFLSA-N 1 3 326.431 2.578 20 0 EFADHO CCN(CC)C(=O)NC1CC[NH+](C2CCN(CC(C)C)CC2)CC1 ZINC001258017919 1316111601 /nfs/dbraw/zinc/11/16/01/1316111601.db2.gz HSJXXMNWFJWNTE-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC001258291048 1316137598 /nfs/dbraw/zinc/13/75/98/1316137598.db2.gz FFPVUZUZRRHECA-OWSLCNJRSA-N 1 3 331.508 2.642 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CCCC(C)(C)C3)CC[C@@H]21 ZINC001258291048 1316137599 /nfs/dbraw/zinc/13/75/99/1316137599.db2.gz FFPVUZUZRRHECA-OWSLCNJRSA-N 1 3 331.508 2.642 20 0 EFADHO COC(=O)CC[C@@H](C)[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001258371204 1316145049 /nfs/dbraw/zinc/14/50/49/1316145049.db2.gz PLSYMJWDNCEXDO-MRXNPFEDSA-N 1 3 334.460 2.909 20 0 EFADHO COC(=O)CC[C@H](C)[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258376877 1316146395 /nfs/dbraw/zinc/14/63/95/1316146395.db2.gz LQCFJLKYBIOXIC-UHOSZYNNSA-N 1 3 330.472 2.782 20 0 EFADHO COC(=O)CC[C@H](C)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258376877 1316146396 /nfs/dbraw/zinc/14/63/96/1316146396.db2.gz LQCFJLKYBIOXIC-UHOSZYNNSA-N 1 3 330.472 2.782 20 0 EFADHO COC(=O)CC[C@H](C)[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001258376879 1316146471 /nfs/dbraw/zinc/14/64/71/1316146471.db2.gz LQCFJLKYBIOXIC-YTQUADARSA-N 1 3 330.472 2.782 20 0 EFADHO COC(=O)CC[C@H](C)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001258376879 1316146474 /nfs/dbraw/zinc/14/64/74/1316146474.db2.gz LQCFJLKYBIOXIC-YTQUADARSA-N 1 3 330.472 2.782 20 0 EFADHO CCOC(=O)CC[C@@H](C)[NH+]1CCC(N)(c2ccccc2OC)CC1 ZINC001258483025 1316154498 /nfs/dbraw/zinc/15/44/98/1316154498.db2.gz IZOXOKKGAFVYCD-OAHLLOKOSA-N 1 3 334.460 2.677 20 0 EFADHO CC1(C)COC2(CCC(N3CCN(c4cc[nH+]cc4)CC3)CC2)OC1 ZINC001258522744 1316159215 /nfs/dbraw/zinc/15/92/15/1316159215.db2.gz WXWHXJOKAPLDBT-UHFFFAOYSA-N 1 3 345.487 2.916 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@]3(CCN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001040240858 1316160439 /nfs/dbraw/zinc/16/04/39/1316160439.db2.gz KBKDNVBRPHLZEC-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@]3(CCN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001040240858 1316160443 /nfs/dbraw/zinc/16/04/43/1316160443.db2.gz KBKDNVBRPHLZEC-AFMYVXGZSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240762 1316160806 /nfs/dbraw/zinc/16/08/06/1316160806.db2.gz JBAMVSGAWDSDHZ-UYAOXDASSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040240762 1316160807 /nfs/dbraw/zinc/16/08/07/1316160807.db2.gz JBAMVSGAWDSDHZ-UYAOXDASSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241376 1316161204 /nfs/dbraw/zinc/16/12/04/1316161204.db2.gz NRVZACBNUTWIGJ-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001040241376 1316161207 /nfs/dbraw/zinc/16/12/07/1316161207.db2.gz NRVZACBNUTWIGJ-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO O=C1CC[C@H]([NH2+]CCCN2CCCC2)CCN1Cc1ccccc1 ZINC001258567930 1316162674 /nfs/dbraw/zinc/16/26/74/1316162674.db2.gz RERVHMUOASOQER-IBGZPJMESA-N 1 3 329.488 2.643 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258568217 1316163360 /nfs/dbraw/zinc/16/33/60/1316163360.db2.gz TWIKXGWLGHQCCX-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699529 1316172528 /nfs/dbraw/zinc/17/25/28/1316172528.db2.gz WBNMWFVFMAQJTR-NVXWUHKLSA-N 1 3 346.519 2.725 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CCCn3c(=O)cc(CN(C)C)nc3C2)CC(C)(C)C1 ZINC001258699529 1316172530 /nfs/dbraw/zinc/17/25/30/1316172530.db2.gz WBNMWFVFMAQJTR-NVXWUHKLSA-N 1 3 346.519 2.725 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3OC)C2)CC1 ZINC001258769796 1316175917 /nfs/dbraw/zinc/17/59/17/1316175917.db2.gz JBQNLXQVDWUWQD-IBGZPJMESA-N 1 3 331.504 2.734 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3ccccc3OC)C2)CC1 ZINC001258769796 1316175921 /nfs/dbraw/zinc/17/59/21/1316175921.db2.gz JBQNLXQVDWUWQD-IBGZPJMESA-N 1 3 331.504 2.734 20 0 EFADHO CC[NH+](CC)Cc1cc(=O)n2c(n1)CN([C@@H]1CCC[C@@H](C)C1)CCC2 ZINC001258824824 1316181668 /nfs/dbraw/zinc/18/16/68/1316181668.db2.gz TXIOZQMPPGKONW-SJLPKXTDSA-N 1 3 346.519 2.870 20 0 EFADHO COc1cc(C[C@@H](C)[NH2+]CC[C@H]2CCCN2C)cc(OC)c1OC ZINC001258855395 1316184982 /nfs/dbraw/zinc/18/49/82/1316184982.db2.gz AAVCUYPBTDZRJW-GDBMZVCRSA-N 1 3 336.476 2.717 20 0 EFADHO COc1ccccc1C[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001258885365 1316188826 /nfs/dbraw/zinc/18/88/26/1316188826.db2.gz YZLVKGCVMXUHEF-BHIYHBOVSA-N 1 3 332.488 2.859 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929322 1316230361 /nfs/dbraw/zinc/23/03/61/1316230361.db2.gz FBULIECVFVTVRE-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929322 1316230364 /nfs/dbraw/zinc/23/03/64/1316230364.db2.gz FBULIECVFVTVRE-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C(F)(F)F)c1 ZINC000390929322 1316230367 /nfs/dbraw/zinc/23/03/67/1316230367.db2.gz FBULIECVFVTVRE-BLLLJJGKSA-N 1 3 328.378 2.813 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040379650 1316230635 /nfs/dbraw/zinc/23/06/35/1316230635.db2.gz MCCCZQUNMVBCMY-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040379650 1316230638 /nfs/dbraw/zinc/23/06/38/1316230638.db2.gz MCCCZQUNMVBCMY-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CC2)C3)C1 ZINC001040392430 1316239279 /nfs/dbraw/zinc/23/92/79/1316239279.db2.gz UFSVMEINCPJHOP-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CC2)C3)C1 ZINC001040392430 1316239283 /nfs/dbraw/zinc/23/92/83/1316239283.db2.gz UFSVMEINCPJHOP-OAQYLSRUSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCCC2)C3)C1 ZINC001040397171 1316243070 /nfs/dbraw/zinc/24/30/70/1316243070.db2.gz YETHQXMBRIWHDZ-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCC2)C3)C1 ZINC001040397171 1316243072 /nfs/dbraw/zinc/24/30/72/1316243072.db2.gz YETHQXMBRIWHDZ-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001040423040 1316255972 /nfs/dbraw/zinc/25/59/72/1316255972.db2.gz QGXHSQCUCJZBBI-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001040423040 1316255975 /nfs/dbraw/zinc/25/59/75/1316255975.db2.gz QGXHSQCUCJZBBI-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424485 1316257418 /nfs/dbraw/zinc/25/74/18/1316257418.db2.gz ZOSSGGFDNJHBNR-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001040424485 1316257420 /nfs/dbraw/zinc/25/74/20/1316257420.db2.gz ZOSSGGFDNJHBNR-LJQANCHMSA-N 1 3 332.492 2.703 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040543112 1316315053 /nfs/dbraw/zinc/31/50/53/1316315053.db2.gz HIAYQPABXWVEHY-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040543112 1316315056 /nfs/dbraw/zinc/31/50/56/1316315056.db2.gz HIAYQPABXWVEHY-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)C1CC1 ZINC001040725568 1316360858 /nfs/dbraw/zinc/36/08/58/1316360858.db2.gz BYYCWUSAPRIGCS-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001040729187 1316361507 /nfs/dbraw/zinc/36/15/07/1316361507.db2.gz DWBDPIKZSBNOOQ-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)[C@H](C4CC4)N(C)C)C3)CC2)C1 ZINC001040730596 1316361852 /nfs/dbraw/zinc/36/18/52/1316361852.db2.gz XJCBTYNPTRJCFX-TVPLGVNVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2)C1CCC1 ZINC001040730089 1316362030 /nfs/dbraw/zinc/36/20/30/1316362030.db2.gz PZPVRHJWTAENAU-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001072297287 1316373914 /nfs/dbraw/zinc/37/39/14/1316373914.db2.gz HZYMEWMJDKINBX-SJLPKXTDSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CC1CC(C)C1)CC2)N(C)C ZINC001040835053 1316385242 /nfs/dbraw/zinc/38/52/42/1316385242.db2.gz HCHHICAGXXVEHH-CTWPCTMYSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001040848584 1316388888 /nfs/dbraw/zinc/38/88/88/1316388888.db2.gz LJSWFQNWCCMKSW-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001040849731 1316389029 /nfs/dbraw/zinc/38/90/29/1316389029.db2.gz VMHLLEBQGVSGIX-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC1(C)CC(C[NH+]2CCC3(CCN(C(=O)Cc4c[nH]cn4)C3)CC2)C1 ZINC001040869742 1316393263 /nfs/dbraw/zinc/39/32/63/1316393263.db2.gz NGHIBLWIDFDHOW-UHFFFAOYSA-N 1 3 344.503 2.703 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC1CCC3(CC3)CC1)C2)N(C)C ZINC001072991509 1316427460 /nfs/dbraw/zinc/42/74/60/1316427460.db2.gz WMKRQAKOUSUDEP-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC1CCC3(CC3)CC1)C2)N(C)C ZINC001072991509 1316427463 /nfs/dbraw/zinc/42/74/63/1316427463.db2.gz WMKRQAKOUSUDEP-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)N(C)C ZINC001262565801 1316472381 /nfs/dbraw/zinc/47/23/81/1316472381.db2.gz WQUVQDGDTFGAJI-AAEUAGOBSA-N 1 3 335.275 2.663 20 0 EFADHO C[C@H](CC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)N(C)C ZINC001262565804 1316472487 /nfs/dbraw/zinc/47/24/87/1316472487.db2.gz WQUVQDGDTFGAJI-YPMHNXCESA-N 1 3 335.275 2.663 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001073970741 1316485250 /nfs/dbraw/zinc/48/52/50/1316485250.db2.gz XMCKCAPOZJONPY-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC001073970741 1316485252 /nfs/dbraw/zinc/48/52/52/1316485252.db2.gz XMCKCAPOZJONPY-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CCCC1)C1CCC1 ZINC001074023973 1316489557 /nfs/dbraw/zinc/48/95/57/1316489557.db2.gz QMETWEFVTYWDMA-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1)C1CCC1 ZINC001074023973 1316489559 /nfs/dbraw/zinc/48/95/59/1316489559.db2.gz QMETWEFVTYWDMA-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285279 1316502429 /nfs/dbraw/zinc/50/24/29/1316502429.db2.gz CNMHHBLVVRHYKQ-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001041285279 1316502430 /nfs/dbraw/zinc/50/24/30/1316502430.db2.gz CNMHHBLVVRHYKQ-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCN1C(=O)CN(C)C1CCC1 ZINC001074687757 1316530177 /nfs/dbraw/zinc/53/01/77/1316530177.db2.gz HHXNBTQMMKOKRD-RYGJVYDSSA-N 1 3 341.499 2.737 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)[C@@H]2C)C1 ZINC001074878333 1316538982 /nfs/dbraw/zinc/53/89/82/1316538982.db2.gz NULCRTBTDLZYMJ-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC001074877917 1316539008 /nfs/dbraw/zinc/53/90/08/1316539008.db2.gz RTZMSUNHMUEDCM-MPGHIAIKSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001074877874 1316539078 /nfs/dbraw/zinc/53/90/78/1316539078.db2.gz QGWTWQJQAZFXLE-LNLFQRSKSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001074877767 1316539100 /nfs/dbraw/zinc/53/91/00/1316539100.db2.gz LELLJDCAIMZZPZ-MPGHIAIKSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001074877767 1316539104 /nfs/dbraw/zinc/53/91/04/1316539104.db2.gz LELLJDCAIMZZPZ-MPGHIAIKSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCCCCC3)[C@@H]2C)C1 ZINC001074878334 1316539338 /nfs/dbraw/zinc/53/93/38/1316539338.db2.gz NULCRTBTDLZYMJ-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)[C@H]2C)cc1 ZINC001074877822 1316539568 /nfs/dbraw/zinc/53/95/68/1316539568.db2.gz NZWSASFCSGMRSA-HBFSDRIKSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672295 1316643486 /nfs/dbraw/zinc/64/34/86/1316643486.db2.gz PUPXBKNPMWPDDP-FQEVSTJZSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672295 1316643488 /nfs/dbraw/zinc/64/34/88/1316643488.db2.gz PUPXBKNPMWPDDP-FQEVSTJZSA-N 1 3 333.520 2.609 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC001041674852 1316644506 /nfs/dbraw/zinc/64/45/06/1316644506.db2.gz LVCRNVBKSFVWPH-APWZRJJASA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001041674852 1316644508 /nfs/dbraw/zinc/64/45/08/1316644508.db2.gz LVCRNVBKSFVWPH-APWZRJJASA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041676644 1316645511 /nfs/dbraw/zinc/64/55/11/1316645511.db2.gz YXOJSPRHSDYVGH-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041676644 1316645512 /nfs/dbraw/zinc/64/55/12/1316645512.db2.gz YXOJSPRHSDYVGH-FXAWDEMLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677351 1316645695 /nfs/dbraw/zinc/64/56/95/1316645695.db2.gz AWQBWNTVBNVREH-DYESRHJHSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)C1 ZINC001041677351 1316645697 /nfs/dbraw/zinc/64/56/97/1316645697.db2.gz AWQBWNTVBNVREH-DYESRHJHSA-N 1 3 347.547 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677696 1316645894 /nfs/dbraw/zinc/64/58/94/1316645894.db2.gz DWNSDUARELGWSM-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041677696 1316645897 /nfs/dbraw/zinc/64/58/97/1316645897.db2.gz DWNSDUARELGWSM-RTBURBONSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680175 1316646634 /nfs/dbraw/zinc/64/66/34/1316646634.db2.gz PQUCSIQZFYUPSX-RBUKOAKNSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(CCN(C(=O)[C@@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC001041680175 1316646636 /nfs/dbraw/zinc/64/66/36/1316646636.db2.gz PQUCSIQZFYUPSX-RBUKOAKNSA-N 1 3 339.499 2.532 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681221 1316647061 /nfs/dbraw/zinc/64/70/61/1316647061.db2.gz ZGEBKXSLQZKUGV-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681221 1316647064 /nfs/dbraw/zinc/64/70/64/1316647064.db2.gz ZGEBKXSLQZKUGV-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041694151 1316649855 /nfs/dbraw/zinc/64/98/55/1316649855.db2.gz VKQUNRTZAZBXTN-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)N(C)C ZINC001041694151 1316649858 /nfs/dbraw/zinc/64/98/58/1316649858.db2.gz VKQUNRTZAZBXTN-AZUAARDMSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712287 1316658004 /nfs/dbraw/zinc/65/80/04/1316658004.db2.gz MQBJVTUOXUNLGF-OXJNMPFZSA-N 1 3 338.455 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001041712287 1316658009 /nfs/dbraw/zinc/65/80/09/1316658009.db2.gz MQBJVTUOXUNLGF-OXJNMPFZSA-N 1 3 338.455 2.638 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001041712833 1316658034 /nfs/dbraw/zinc/65/80/34/1316658034.db2.gz XPLZBIXSLJVYJP-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001041712833 1316658037 /nfs/dbraw/zinc/65/80/37/1316658037.db2.gz XPLZBIXSLJVYJP-HXUWFJFHSA-N 1 3 344.503 2.847 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724513 1316667376 /nfs/dbraw/zinc/66/73/76/1316667376.db2.gz ZLGDGOVIJUENPC-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC001041724513 1316667379 /nfs/dbraw/zinc/66/73/79/1316667379.db2.gz ZLGDGOVIJUENPC-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042186577 1316939555 /nfs/dbraw/zinc/93/95/55/1316939555.db2.gz IDQBISYQHAWISJ-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCC3CC3)[C@@H]2C1)N1CCCC1 ZINC001042186577 1316939556 /nfs/dbraw/zinc/93/95/56/1316939556.db2.gz IDQBISYQHAWISJ-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186623 1316939955 /nfs/dbraw/zinc/93/99/55/1316939955.db2.gz ISEQUFPIXFAKEI-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@H]21 ZINC001042186623 1316939957 /nfs/dbraw/zinc/93/99/57/1316939957.db2.gz ISEQUFPIXFAKEI-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCC1 ZINC001042186200 1316940028 /nfs/dbraw/zinc/94/00/28/1316940028.db2.gz FBCPBCHWPVARAB-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCC1 ZINC001042186200 1316940031 /nfs/dbraw/zinc/94/00/31/1316940031.db2.gz FBCPBCHWPVARAB-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)CC1 ZINC001042213227 1316964438 /nfs/dbraw/zinc/96/44/38/1316964438.db2.gz DVUFKXVVTBCNIP-AEFFLSMTSA-N 1 3 347.528 2.513 20 0 EFADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1)N(C)C ZINC001279628412 1317339007 /nfs/dbraw/zinc/33/90/07/1317339007.db2.gz IJWADBZDDMRIHW-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1)N(C)C ZINC001279628412 1317339017 /nfs/dbraw/zinc/33/90/17/1317339017.db2.gz IJWADBZDDMRIHW-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cccc(C(=O)N2CCC([NH2+]C[C@H](C)CN3CCCC3)CC2)c1 ZINC001414065094 1328770098 /nfs/dbraw/zinc/77/00/98/1328770098.db2.gz ORMMDPMBRIFOIZ-SFHVURJKSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC001319767592 1328982297 /nfs/dbraw/zinc/98/22/97/1328982297.db2.gz NWHNCKNVHGIHJW-QWHCGFSZSA-N 1 3 343.393 2.508 20 0 EFADHO C[C@H]1C[C@H](NCCNC(=O)c2ccccc2C(F)(F)F)CC[N@H+]1C ZINC001319767592 1328982301 /nfs/dbraw/zinc/98/23/01/1328982301.db2.gz NWHNCKNVHGIHJW-QWHCGFSZSA-N 1 3 343.393 2.508 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)NCc2cccc(F)c2)CC1 ZINC001491622774 1323756121 /nfs/dbraw/zinc/75/61/21/1323756121.db2.gz HNPXQJTWQGHTNR-HNNXBMFYSA-N 1 3 335.467 2.540 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001491835194 1323928605 /nfs/dbraw/zinc/92/86/05/1323928605.db2.gz VZRKWWNVMYXSIC-INIZCTEOSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C(Cl)=C\Cl)C2)CCC1 ZINC001491874567 1323978388 /nfs/dbraw/zinc/97/83/88/1323978388.db2.gz OUTANOJIWWYAGT-XMNZZIDVSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001491893663 1324003487 /nfs/dbraw/zinc/00/34/87/1324003487.db2.gz GLUSHPRIKMGGGL-JKOFNFNQSA-N 1 3 336.307 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C\Cl)C1 ZINC001491893661 1324003953 /nfs/dbraw/zinc/00/39/53/1324003953.db2.gz GLUSHPRIKMGGGL-DBLGQFABSA-N 1 3 336.307 2.664 20 0 EFADHO CC[NH+]1CCC(NCCNC(=O)c2ccccc2C(F)(F)F)CC1 ZINC001320602515 1329175519 /nfs/dbraw/zinc/17/55/19/1329175519.db2.gz RZXHUZDKHSMYJA-UHFFFAOYSA-N 1 3 343.393 2.509 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)C1 ZINC001316949507 1325406798 /nfs/dbraw/zinc/40/67/98/1325406798.db2.gz UBVBDIGLOLSODV-ZWKOTPCHSA-N 1 3 341.515 2.829 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCN(CCCCCF)C2)C1 ZINC001316949507 1325406801 /nfs/dbraw/zinc/40/68/01/1325406801.db2.gz UBVBDIGLOLSODV-ZWKOTPCHSA-N 1 3 341.515 2.829 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCCCF)C2)c1 ZINC001317069409 1325538791 /nfs/dbraw/zinc/53/87/91/1325538791.db2.gz METWDATWUICAPS-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCNC(=O)c1ccccc1C(F)(F)F ZINC001326039722 1329730871 /nfs/dbraw/zinc/73/08/71/1329730871.db2.gz SYWCGUDAWZFXNJ-SWLSCSKDSA-N 1 3 343.393 2.542 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001326039722 1329730872 /nfs/dbraw/zinc/73/08/72/1329730872.db2.gz SYWCGUDAWZFXNJ-SWLSCSKDSA-N 1 3 343.393 2.542 20 0 EFADHO CN(C(=O)NCCCCCC[NH3+])[C@H]1CCCN(Cc2ccccc2)C1 ZINC001326059975 1329731804 /nfs/dbraw/zinc/73/18/04/1329731804.db2.gz GWIIHNQBDSYQQQ-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001382313738 1348861163 /nfs/dbraw/zinc/86/11/63/1348861163.db2.gz LRLLKAYHVOBCSY-NVXWUHKLSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[N@H+](C)CCNCCC(=O)Nc1ccc(Br)cc1 ZINC001335365175 1331339421 /nfs/dbraw/zinc/33/94/21/1331339421.db2.gz CLVTUYPCESFRQQ-UHFFFAOYSA-N 1 3 342.281 2.708 20 0 EFADHO CC(C)[N@@H+](C)CCNCCC(=O)Nc1ccc(Br)cc1 ZINC001335365175 1331339426 /nfs/dbraw/zinc/33/94/26/1331339426.db2.gz CLVTUYPCESFRQQ-UHFFFAOYSA-N 1 3 342.281 2.708 20 0 EFADHO O=C(CCNC[C@H]1CCC[N@H+](CC2CC2)C1)Nc1cccc(F)c1 ZINC001335461007 1331351919 /nfs/dbraw/zinc/35/19/19/1331351919.db2.gz SPTODHWUPQQYOT-MRXNPFEDSA-N 1 3 333.451 2.866 20 0 EFADHO O=C(CCNC[C@H]1CCC[N@@H+](CC2CC2)C1)Nc1cccc(F)c1 ZINC001335461007 1331351925 /nfs/dbraw/zinc/35/19/25/1331351925.db2.gz SPTODHWUPQQYOT-MRXNPFEDSA-N 1 3 333.451 2.866 20 0 EFADHO O=C(c1ccc(Nc2ccncc2)cc1)N1CC[NH2+]CCC12CCC2 ZINC001337045233 1331530504 /nfs/dbraw/zinc/53/05/04/1331530504.db2.gz VDBUWKYLZVKDGV-UHFFFAOYSA-N 1 3 336.439 2.605 20 0 EFADHO O[C@H](C[NH2+]CCc1nc(C2CCCCC2)cs1)CN1CCCC1 ZINC001346224263 1332613644 /nfs/dbraw/zinc/61/36/44/1332613644.db2.gz GLGDBVWSDBJANR-MRXNPFEDSA-N 1 3 337.533 2.780 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001911231 1333716611 /nfs/dbraw/zinc/71/66/11/1333716611.db2.gz NBSIZDDYFONECQ-ZWKOTPCHSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001001911231 1333716615 /nfs/dbraw/zinc/71/66/15/1333716615.db2.gz NBSIZDDYFONECQ-ZWKOTPCHSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001911147 1333716735 /nfs/dbraw/zinc/71/67/35/1333716735.db2.gz KUSFTFYSGLYKHZ-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001001912672 1333721204 /nfs/dbraw/zinc/72/12/04/1333721204.db2.gz YCKBJNOKCHYORF-HFTQHKIXSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1CCN(C/C=C/Cl)CC1 ZINC001001912672 1333721210 /nfs/dbraw/zinc/72/12/10/1333721210.db2.gz YCKBJNOKCHYORF-HFTQHKIXSA-N 1 3 341.927 2.830 20 0 EFADHO C[C@H](CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)N(C)C ZINC001353287403 1334066527 /nfs/dbraw/zinc/06/65/27/1334066527.db2.gz LWPXPQBGNAUUCZ-ABAIWWIYSA-N 1 3 347.272 2.726 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)C(C)(C)N3CCCC3)C2)cs1 ZINC001100562399 1334293259 /nfs/dbraw/zinc/29/32/59/1334293259.db2.gz LOICOTJIFLOCTB-UHFFFAOYSA-N 1 3 349.544 2.915 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CC(NCC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001100606734 1334393135 /nfs/dbraw/zinc/39/31/35/1334393135.db2.gz UTMKGCNQBIXIDA-AHPWVWPOSA-N 1 3 348.318 2.520 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CC(NCC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001100606734 1334393136 /nfs/dbraw/zinc/39/31/36/1334393136.db2.gz UTMKGCNQBIXIDA-AHPWVWPOSA-N 1 3 348.318 2.520 20 0 EFADHO C[C@H](NC1CC(CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001100620880 1334418513 /nfs/dbraw/zinc/41/85/13/1334418513.db2.gz CJLLBAPKWQEDDF-FHERZECASA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](NC1CC(CNC(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001100638271 1334461000 /nfs/dbraw/zinc/46/10/00/1334461000.db2.gz DUWBRJSWEKVULD-NFOMZHRRSA-N 1 3 337.895 2.837 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001100647134 1334481741 /nfs/dbraw/zinc/48/17/41/1334481741.db2.gz FEIXOTDSIJAJST-GXOAENINSA-N 1 3 349.494 2.705 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c(C)c1 ZINC001100675954 1334549950 /nfs/dbraw/zinc/54/99/50/1334549950.db2.gz DTWZECJDGBDPSD-PGYGNJIDSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)cc1F ZINC001100675903 1334550188 /nfs/dbraw/zinc/55/01/88/1334550188.db2.gz BYQSTMOBDKZDPH-ZLPCBKJTSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001100676922 1334552931 /nfs/dbraw/zinc/55/29/31/1334552931.db2.gz UXVFYGIIRSKIJI-IVMQYODDSA-N 1 3 347.547 2.926 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]Cc2ccc(CF)cc2)C1 ZINC001100677142 1334553798 /nfs/dbraw/zinc/55/37/98/1334553798.db2.gz YPNIGJBXRIBWJE-VNCLNFNDSA-N 1 3 347.478 2.625 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001100678562 1334556793 /nfs/dbraw/zinc/55/67/93/1334556793.db2.gz PASVBHVGTQISAP-VQSBYGRUSA-N 1 3 343.515 2.630 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)CC(C)(C)C ZINC001100681394 1334563733 /nfs/dbraw/zinc/56/37/33/1334563733.db2.gz HVQMSLAWKONYAS-UHFFFAOYSA-N 1 3 337.552 2.885 20 0 EFADHO CCc1cccc(C[NH2+]C2CC(CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001100683865 1334569755 /nfs/dbraw/zinc/56/97/55/1334569755.db2.gz WAMKJWXOOZHUJP-ACBHZAAOSA-N 1 3 331.504 2.574 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001100685400 1334573882 /nfs/dbraw/zinc/57/38/82/1334573882.db2.gz FTKVRJBLCFXUAW-UUKMXZOPSA-N 1 3 345.531 2.752 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCC(F)(F)F)C1 ZINC001100729327 1334685868 /nfs/dbraw/zinc/68/58/68/1334685868.db2.gz APYQHNXPEKKOTM-NRXISQOPSA-N 1 3 349.441 2.686 20 0 EFADHO CC[N@H+](C)C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001413968760 1334851208 /nfs/dbraw/zinc/85/12/08/1334851208.db2.gz VRTMAMZMQWLIAH-QGZVFWFLSA-N 1 3 348.487 2.863 20 0 EFADHO CC[N@@H+](C)C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1 ZINC001413968760 1334851212 /nfs/dbraw/zinc/85/12/12/1334851212.db2.gz VRTMAMZMQWLIAH-QGZVFWFLSA-N 1 3 348.487 2.863 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1)N(C)C ZINC001356594750 1335059898 /nfs/dbraw/zinc/05/98/98/1335059898.db2.gz FXOJZCCAWZHQPV-SMDDNHRTSA-N 1 3 335.275 2.663 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C(F)(F)F ZINC000849062352 1335064712 /nfs/dbraw/zinc/06/47/12/1335064712.db2.gz BWAPIDRXASCPQM-CYBMUJFWSA-N 1 3 328.382 2.804 20 0 EFADHO C[C@@H]1CCN(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083581 1335072227 /nfs/dbraw/zinc/07/22/27/1335072227.db2.gz ZDWXZTWRAZMVRI-LLVKDONJSA-N 1 3 330.354 2.863 20 0 EFADHO C[C@@H]1CCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849096811 1335075750 /nfs/dbraw/zinc/07/57/50/1335075750.db2.gz XQAQIPGKZAWNHD-GFCCVEGCSA-N 1 3 344.381 2.541 20 0 EFADHO C[C@H]1CCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849096812 1335075884 /nfs/dbraw/zinc/07/58/84/1335075884.db2.gz XQAQIPGKZAWNHD-LBPRGKRZSA-N 1 3 344.381 2.541 20 0 EFADHO Cc1cccnc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849100421 1335551766 /nfs/dbraw/zinc/55/17/66/1335551766.db2.gz VQLMBQCRHDMBLR-UHFFFAOYSA-N 1 3 337.471 2.669 20 0 EFADHO Cc1ccoc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849102910 1335552311 /nfs/dbraw/zinc/55/23/11/1335552311.db2.gz VNDMGJQUPNLKPY-UHFFFAOYSA-N 1 3 326.444 2.867 20 0 EFADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000849106856 1335552894 /nfs/dbraw/zinc/55/28/94/1335552894.db2.gz OKIJXLPNQDXJAR-BFHYXJOUSA-N 1 3 334.430 2.953 20 0 EFADHO CC(C)(O)C(C)(C)CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849116190 1335555247 /nfs/dbraw/zinc/55/52/47/1335555247.db2.gz HMKZCZJMBXDLIP-UHFFFAOYSA-N 1 3 346.519 2.562 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC001362010976 1336463269 /nfs/dbraw/zinc/46/32/69/1336463269.db2.gz SUADIGIYRHCUBJ-QGZVFWFLSA-N 1 3 335.492 2.600 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C)o2)C1 ZINC001362010976 1336463272 /nfs/dbraw/zinc/46/32/72/1336463272.db2.gz SUADIGIYRHCUBJ-QGZVFWFLSA-N 1 3 335.492 2.600 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC001362023056 1336468773 /nfs/dbraw/zinc/46/87/73/1336468773.db2.gz IFOMTJDCEPKDQE-RTBURBONSA-N 1 3 331.504 2.841 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)N(C)C)cc1 ZINC001362023056 1336468780 /nfs/dbraw/zinc/46/87/80/1336468780.db2.gz IFOMTJDCEPKDQE-RTBURBONSA-N 1 3 331.504 2.841 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC001362077499 1336492557 /nfs/dbraw/zinc/49/25/57/1336492557.db2.gz LFDUOYOYKAJTMW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001362170471 1336536386 /nfs/dbraw/zinc/53/63/86/1336536386.db2.gz ZPILCLDOYFJLMH-QAPCUYQASA-N 1 3 340.471 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001362170471 1336536388 /nfs/dbraw/zinc/53/63/88/1336536388.db2.gz ZPILCLDOYFJLMH-QAPCUYQASA-N 1 3 340.471 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001362170468 1336536613 /nfs/dbraw/zinc/53/66/13/1336536613.db2.gz ZPILCLDOYFJLMH-CRAIPNDOSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001362170468 1336536615 /nfs/dbraw/zinc/53/66/15/1336536615.db2.gz ZPILCLDOYFJLMH-CRAIPNDOSA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001362494071 1336632623 /nfs/dbraw/zinc/63/26/23/1336632623.db2.gz AMKSZIRMYSDEQB-YZGWKJHDSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001362494071 1336632626 /nfs/dbraw/zinc/63/26/26/1336632626.db2.gz AMKSZIRMYSDEQB-YZGWKJHDSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001362539638 1336649817 /nfs/dbraw/zinc/64/98/17/1336649817.db2.gz GWOANXGXLZSHPC-IEBWSBKVSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001362539638 1336649821 /nfs/dbraw/zinc/64/98/21/1336649821.db2.gz GWOANXGXLZSHPC-IEBWSBKVSA-N 1 3 331.504 2.601 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC001362698673 1336708662 /nfs/dbraw/zinc/70/86/62/1336708662.db2.gz XDWAXVMEHPOZGS-NMLBUPMWSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC001362698673 1336708663 /nfs/dbraw/zinc/70/86/63/1336708663.db2.gz XDWAXVMEHPOZGS-NMLBUPMWSA-N 1 3 343.515 2.744 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001362797453 1336746012 /nfs/dbraw/zinc/74/60/12/1336746012.db2.gz DSVBPYLNMFNDNN-UHOSZYNNSA-N 1 3 343.515 2.886 20 0 EFADHO CN1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC12CCCCC2 ZINC001363282452 1336856593 /nfs/dbraw/zinc/85/65/93/1336856593.db2.gz WCWOWRRRWBWDFH-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO Cc1ccccc1[C@@H](CO)NCc1ccc(OCC[NH+](C)C)cc1 ZINC001363371771 1336897999 /nfs/dbraw/zinc/89/79/99/1336897999.db2.gz VIDMXYUWWUGSHH-HXUWFJFHSA-N 1 3 328.456 2.759 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001363712590 1337006869 /nfs/dbraw/zinc/00/68/69/1337006869.db2.gz FGPGJNVEWNVPJM-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001363712590 1337006872 /nfs/dbraw/zinc/00/68/72/1337006872.db2.gz FGPGJNVEWNVPJM-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C)cc1 ZINC001364199638 1337180853 /nfs/dbraw/zinc/18/08/53/1337180853.db2.gz DTFKMUUXCQGCHU-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)C[N@H+](C)C(C)C ZINC001364470565 1337187806 /nfs/dbraw/zinc/18/78/06/1337187806.db2.gz TYLOABBJKFBKJX-NHCUHLMSSA-N 1 3 347.547 2.530 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccccc2)CCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC001364470565 1337187809 /nfs/dbraw/zinc/18/78/09/1337187809.db2.gz TYLOABBJKFBKJX-NHCUHLMSSA-N 1 3 347.547 2.530 20 0 EFADHO CCC(=O)N1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC001364567055 1337192418 /nfs/dbraw/zinc/19/24/18/1337192418.db2.gz LWISQOIUSJECJY-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1cc(C)c(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC001364566807 1337192486 /nfs/dbraw/zinc/19/24/86/1337192486.db2.gz JKOWBABQMXUWNA-UHFFFAOYSA-N 1 3 331.504 2.644 20 0 EFADHO CC1CC[NH+](CC[C@@H]2CCCN2CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001365321742 1337221692 /nfs/dbraw/zinc/22/16/92/1337221692.db2.gz CRYPBURPHJJZQZ-UFYCRDLUSA-N 1 3 337.552 2.682 20 0 EFADHO CC1CC[NH+](CC[C@@H]2CCCN2CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001365321743 1337221730 /nfs/dbraw/zinc/22/17/30/1337221730.db2.gz CRYPBURPHJJZQZ-ZCNNSNEGSA-N 1 3 337.552 2.682 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001365994500 1337309046 /nfs/dbraw/zinc/30/90/46/1337309046.db2.gz IVXMKLJPQUOIOY-HXUWFJFHSA-N 1 3 339.483 2.872 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1 ZINC001365994500 1337309049 /nfs/dbraw/zinc/30/90/49/1337309049.db2.gz IVXMKLJPQUOIOY-HXUWFJFHSA-N 1 3 339.483 2.872 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1C ZINC001366004192 1337315881 /nfs/dbraw/zinc/31/58/81/1337315881.db2.gz OUABALBVRVJDOC-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(CCCc2ccsc2)C1 ZINC001366004087 1337315998 /nfs/dbraw/zinc/31/59/98/1337315998.db2.gz NSDNANHVZULLOJ-GOSISDBHSA-N 1 3 349.544 2.747 20 0 EFADHO Cc1ccccc1CN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366007124 1337317942 /nfs/dbraw/zinc/31/79/42/1337317942.db2.gz TUEOPVWJVJDFTJ-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)C2(N(C)C)CCC2)CC1 ZINC001366009880 1337319035 /nfs/dbraw/zinc/31/90/35/1337319035.db2.gz SNCFFLKNVXYIRN-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1cccc(F)c1)CC2)N(C)C ZINC001366024188 1337331347 /nfs/dbraw/zinc/33/13/47/1337331347.db2.gz ZHPONHIBHBRRQM-ZWKOTPCHSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001366072432 1337364333 /nfs/dbraw/zinc/36/43/33/1337364333.db2.gz XLPLRRTWQTXYOF-SFHVURJKSA-N 1 3 346.519 2.961 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001366071844 1337364425 /nfs/dbraw/zinc/36/44/25/1337364425.db2.gz HLDCZKIBJLMZPL-QGZVFWFLSA-N 1 3 335.467 2.502 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001366136769 1337396871 /nfs/dbraw/zinc/39/68/71/1337396871.db2.gz RTKXFNJSJXTYEY-ZHALLVOQSA-N 1 3 329.488 2.641 20 0 EFADHO Cc1cc(F)ccc1CN1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366178636 1337419918 /nfs/dbraw/zinc/41/99/18/1337419918.db2.gz NCGKABKPTIIYAC-QGZVFWFLSA-N 1 3 349.494 2.804 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366191255 1337430620 /nfs/dbraw/zinc/43/06/20/1337430620.db2.gz XNPDANJIXDUCCJ-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366191255 1337430622 /nfs/dbraw/zinc/43/06/22/1337430622.db2.gz XNPDANJIXDUCCJ-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001366200737 1337438132 /nfs/dbraw/zinc/43/81/32/1337438132.db2.gz NGPQESZCKLYNIG-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001366211234 1337447010 /nfs/dbraw/zinc/44/70/10/1337447010.db2.gz ZKMLVMHONRIKDK-LPHOPBHVSA-N 1 3 340.471 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC001366219192 1337453010 /nfs/dbraw/zinc/45/30/10/1337453010.db2.gz LNJXVNJPXGKNEQ-IBGZPJMESA-N 1 3 331.504 2.808 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001366439490 1337588961 /nfs/dbraw/zinc/58/89/61/1337588961.db2.gz TWMGVKASPHIDJE-OALUTQOASA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001366463362 1337606985 /nfs/dbraw/zinc/60/69/85/1337606985.db2.gz LADFMPZCOCAFOQ-GUYCJALGSA-N 1 3 341.446 2.535 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC001366514239 1337655679 /nfs/dbraw/zinc/65/56/79/1337655679.db2.gz YHGHEYDZHYALQU-APWZRJJASA-N 1 3 331.504 2.890 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc3ccccc3c2)CC[N@@H+]1C ZINC001366529686 1337665690 /nfs/dbraw/zinc/66/56/90/1337665690.db2.gz ZTXQQKLTMUYNIV-OXQOHEQNSA-N 1 3 339.483 2.728 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc3ccccc3c2)CC[N@H+]1C ZINC001366529686 1337665694 /nfs/dbraw/zinc/66/56/94/1337665694.db2.gz ZTXQQKLTMUYNIV-OXQOHEQNSA-N 1 3 339.483 2.728 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)[C@H]1CCc2c1cccc2Cl)N(C)C ZINC001366539406 1337674964 /nfs/dbraw/zinc/67/49/64/1337674964.db2.gz HUYXJPAOXZXBTC-SJORKVTESA-N 1 3 337.895 2.716 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)[C@H]1CCc2c1cccc2Cl)N(C)C ZINC001366539406 1337674965 /nfs/dbraw/zinc/67/49/65/1337674965.db2.gz HUYXJPAOXZXBTC-SJORKVTESA-N 1 3 337.895 2.716 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001366569767 1337705557 /nfs/dbraw/zinc/70/55/57/1337705557.db2.gz GVZRGYJZPAQBJI-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001366569767 1337705561 /nfs/dbraw/zinc/70/55/61/1337705561.db2.gz GVZRGYJZPAQBJI-IBGZPJMESA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001366628613 1337770586 /nfs/dbraw/zinc/77/05/86/1337770586.db2.gz DCPOCTLVSRAVCC-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)[C@@H]1CCc2ccc(F)cc21 ZINC001366628613 1337770591 /nfs/dbraw/zinc/77/05/91/1337770591.db2.gz DCPOCTLVSRAVCC-RTBURBONSA-N 1 3 349.494 2.837 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001366777502 1337995662 /nfs/dbraw/zinc/99/56/62/1337995662.db2.gz OQZVKEIYFUVEDE-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366850320 1338117355 /nfs/dbraw/zinc/11/73/55/1338117355.db2.gz HBEKWTRWBROHAG-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001366850320 1338117357 /nfs/dbraw/zinc/11/73/57/1338117357.db2.gz HBEKWTRWBROHAG-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001366865504 1338135177 /nfs/dbraw/zinc/13/51/77/1338135177.db2.gz LXCNOXZBWPIQGC-DGBZWLMUSA-N 1 3 341.499 2.574 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001366865504 1338135180 /nfs/dbraw/zinc/13/51/80/1338135180.db2.gz LXCNOXZBWPIQGC-DGBZWLMUSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366886829 1338168701 /nfs/dbraw/zinc/16/87/01/1338168701.db2.gz QPYJXEMIAIMILL-SQNIBIBYSA-N 1 3 325.541 2.835 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001366895943 1338180084 /nfs/dbraw/zinc/18/00/84/1338180084.db2.gz AUFLGJKHZKLQBA-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC001366895943 1338180087 /nfs/dbraw/zinc/18/00/87/1338180087.db2.gz AUFLGJKHZKLQBA-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001366977724 1338235800 /nfs/dbraw/zinc/23/58/00/1338235800.db2.gz VGUBVOFZLYBMAK-MRXNPFEDSA-N 1 3 329.488 2.588 20 0 EFADHO CC[C@H](C(=O)NCC1CN(Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001366987195 1338244730 /nfs/dbraw/zinc/24/47/30/1338244730.db2.gz QNMNOISMZYZOHB-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001367031896 1338291371 /nfs/dbraw/zinc/29/13/71/1338291371.db2.gz CDJVWBSSTOKTMB-GOSISDBHSA-N 1 3 343.515 2.842 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001367040209 1338300279 /nfs/dbraw/zinc/30/02/79/1338300279.db2.gz SSEYMOIADNSATK-MOPGFXCFSA-N 1 3 331.504 2.526 20 0 EFADHO CCc1ccccc1CN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001367040212 1338300342 /nfs/dbraw/zinc/30/03/42/1338300342.db2.gz SSEYMOIADNSATK-RTBURBONSA-N 1 3 331.504 2.526 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001367103589 1338391021 /nfs/dbraw/zinc/39/10/21/1338391021.db2.gz RVSARLQJXXFEEV-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001367196006 1338501010 /nfs/dbraw/zinc/50/10/10/1338501010.db2.gz DBDZUCLDGNUIOU-LNLFQRSKSA-N 1 3 349.494 2.929 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001367199779 1338506520 /nfs/dbraw/zinc/50/65/20/1338506520.db2.gz FVASGTLPBFQTPO-VAMGGRTRSA-N 1 3 345.531 2.832 20 0 EFADHO CC(C)[C@H](C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)N(C)C ZINC001367213269 1338523509 /nfs/dbraw/zinc/52/35/09/1338523509.db2.gz JZPDEDRLOHSGDW-LJQANCHMSA-N 1 3 331.504 2.779 20 0 EFADHO CC[C@H](C)C[NH+]1CCC(CCNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001367216723 1338526403 /nfs/dbraw/zinc/52/64/03/1338526403.db2.gz UOTRDDVUVUJKAF-WMZOPIPTSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001367243845 1338546702 /nfs/dbraw/zinc/54/67/02/1338546702.db2.gz PFBXMYKVHZENBB-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001367244074 1338547633 /nfs/dbraw/zinc/54/76/33/1338547633.db2.gz PXZJDSVMLZZUOF-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001367244077 1338547833 /nfs/dbraw/zinc/54/78/33/1338547833.db2.gz PXZJDSVMLZZUOF-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001367269650 1338569312 /nfs/dbraw/zinc/56/93/12/1338569312.db2.gz ATKCITGVALPQJH-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001367275225 1338575166 /nfs/dbraw/zinc/57/51/66/1338575166.db2.gz JUQCDAZPRRFOBO-IEBWSBKVSA-N 1 3 331.504 2.791 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001367293198 1338593301 /nfs/dbraw/zinc/59/33/01/1338593301.db2.gz TXMYAUOBYANHFC-IUODEOHRSA-N 1 3 345.940 2.830 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001367395075 1338691857 /nfs/dbraw/zinc/69/18/57/1338691857.db2.gz HXPKDSYFDWVKNZ-BBRMVZONSA-N 1 3 341.446 2.901 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001367396754 1338694433 /nfs/dbraw/zinc/69/44/33/1338694433.db2.gz GTWWQFFUPUHJQI-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccnc1)C1CCCCC1)N(C)C ZINC001367440575 1338742872 /nfs/dbraw/zinc/74/28/72/1338742872.db2.gz NMUUOSQARYMQOI-MOPGFXCFSA-N 1 3 346.519 2.577 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001367478240 1338777657 /nfs/dbraw/zinc/77/76/57/1338777657.db2.gz HQBLYXDNNYRUQO-HNAYVOBHSA-N 1 3 349.494 2.959 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)c1ccccc1F ZINC001367478238 1338777889 /nfs/dbraw/zinc/77/78/89/1338777889.db2.gz HQBLYXDNNYRUQO-DNVCBOLYSA-N 1 3 349.494 2.959 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(C)C)N(C)C ZINC001367488294 1338788477 /nfs/dbraw/zinc/78/84/77/1338788477.db2.gz GZTYELGWXFEVMS-CVEARBPZSA-N 1 3 347.494 2.883 20 0 EFADHO CN(CC(=O)N(C)CC[N@@H+](C)CC1CCCCC1)CC(C)(C)C ZINC001367539422 1338843625 /nfs/dbraw/zinc/84/36/25/1338843625.db2.gz ZBUDYLHVVNWBCK-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001367538950 1338843360 /nfs/dbraw/zinc/84/33/60/1338843360.db2.gz VTNCJRUPAJUHGH-QGZVFWFLSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001367538950 1338843362 /nfs/dbraw/zinc/84/33/62/1338843362.db2.gz VTNCJRUPAJUHGH-QGZVFWFLSA-N 1 3 331.504 2.535 20 0 EFADHO CN(CC(=O)N(C)CC[N@H+](C)CC1CCCCC1)CC(C)(C)C ZINC001367539422 1338843623 /nfs/dbraw/zinc/84/36/23/1338843623.db2.gz ZBUDYLHVVNWBCK-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367545122 1338852296 /nfs/dbraw/zinc/85/22/96/1338852296.db2.gz AYXWLBNCEVIXLJ-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)CCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001367545122 1338852301 /nfs/dbraw/zinc/85/23/01/1338852301.db2.gz AYXWLBNCEVIXLJ-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367554390 1338865485 /nfs/dbraw/zinc/86/54/85/1338865485.db2.gz SJIAHMCXVCKESI-SJLPKXTDSA-N 1 3 335.467 2.619 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367554390 1338865488 /nfs/dbraw/zinc/86/54/88/1338865488.db2.gz SJIAHMCXVCKESI-SJLPKXTDSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001367578402 1338877516 /nfs/dbraw/zinc/87/75/16/1338877516.db2.gz KLSHRQLFKLRWSN-AEFFLSMTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)C1(N(C)C)CCC1 ZINC001367647480 1338902655 /nfs/dbraw/zinc/90/26/55/1338902655.db2.gz RBQXBGJBJGXRCU-LJQANCHMSA-N 1 3 343.515 2.986 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001367709637 1338948793 /nfs/dbraw/zinc/94/87/93/1338948793.db2.gz VOFVDCMRRQIBEN-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001367709648 1338948986 /nfs/dbraw/zinc/94/89/86/1338948986.db2.gz VUXKDJZNCZHCOU-PBHICJAKSA-N 1 3 339.911 2.829 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001367765398 1338990720 /nfs/dbraw/zinc/99/07/20/1338990720.db2.gz UFJOUPVWISITJZ-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)c1ccccc1Cl ZINC001367765398 1338990722 /nfs/dbraw/zinc/99/07/22/1338990722.db2.gz UFJOUPVWISITJZ-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCc2c1cccc2F ZINC001367849870 1339065904 /nfs/dbraw/zinc/06/59/04/1339065904.db2.gz YMQAEAFILNKJDP-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2c1cccc2F ZINC001367849870 1339065906 /nfs/dbraw/zinc/06/59/06/1339065906.db2.gz YMQAEAFILNKJDP-KBXCAEBGSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(F)cc1)NC(=O)CC[NH+]1CCCCC1 ZINC001367864017 1339077448 /nfs/dbraw/zinc/07/74/48/1339077448.db2.gz SFLLUBJIRQPKKT-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)c(C)s1 ZINC001367904420 1339097881 /nfs/dbraw/zinc/09/78/81/1339097881.db2.gz SXSHURRVIQGRMH-SFHVURJKSA-N 1 3 349.544 2.834 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001368024052 1339162884 /nfs/dbraw/zinc/16/28/84/1339162884.db2.gz RFLYAYSUVNQMCQ-GOSISDBHSA-N 1 3 331.504 2.574 20 0 EFADHO CCCN(C)CC(=O)NCC1([NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC001368038674 1339170185 /nfs/dbraw/zinc/17/01/85/1339170185.db2.gz UMJLEOUHLFTBPT-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO CCc1cccc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)c1 ZINC001368040145 1339170988 /nfs/dbraw/zinc/17/09/88/1339170988.db2.gz DBRARTKDXAYPSP-UHFFFAOYSA-N 1 3 343.515 2.863 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069370 1339185614 /nfs/dbraw/zinc/18/56/14/1339185614.db2.gz VAIAQCLZGPAZDB-XLIONFOSSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069370 1339185617 /nfs/dbraw/zinc/18/56/17/1339185617.db2.gz VAIAQCLZGPAZDB-XLIONFOSSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069354 1339185811 /nfs/dbraw/zinc/18/58/11/1339185811.db2.gz VAIAQCLZGPAZDB-FXAWDEMLSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001368069354 1339185813 /nfs/dbraw/zinc/18/58/13/1339185813.db2.gz VAIAQCLZGPAZDB-FXAWDEMLSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2F)C[C@@H]1C ZINC001368106126 1339196602 /nfs/dbraw/zinc/19/66/02/1339196602.db2.gz MELWNXBGTLUJNP-RDJZCZTQSA-N 1 3 335.467 2.637 20 0 EFADHO CC[NH2+]C[C@@H](NC(=O)[C@H](CC)N(C)C)c1ccc2ccccc2c1 ZINC001368130838 1339207740 /nfs/dbraw/zinc/20/77/40/1339207740.db2.gz YYFCWAOJZXDHRR-MOPGFXCFSA-N 1 3 327.472 2.947 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C[NH2+]CC1CC(C)C1)C1CCCC1 ZINC001368144972 1339217938 /nfs/dbraw/zinc/21/79/38/1339217938.db2.gz MYSKJWLKDJKYHM-RWKZGTHUSA-N 1 3 332.492 2.571 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001368170982 1339233918 /nfs/dbraw/zinc/23/39/18/1339233918.db2.gz HLWIDDOFWBTOAL-HXUWFJFHSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001368170982 1339233919 /nfs/dbraw/zinc/23/39/19/1339233919.db2.gz HLWIDDOFWBTOAL-HXUWFJFHSA-N 1 3 343.471 2.855 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001368201074 1339252101 /nfs/dbraw/zinc/25/21/01/1339252101.db2.gz WGUNGDKCPUHKGZ-PZJWPPBQSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1 ZINC001368202464 1339252875 /nfs/dbraw/zinc/25/28/75/1339252875.db2.gz VFFVZICTLVQJIH-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001368230578 1339275323 /nfs/dbraw/zinc/27/53/23/1339275323.db2.gz NDNQFBJPBHCKMP-ICSRJNTNSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001368230578 1339275324 /nfs/dbraw/zinc/27/53/24/1339275324.db2.gz NDNQFBJPBHCKMP-ICSRJNTNSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(CC)cc2)C1 ZINC001368331467 1339301746 /nfs/dbraw/zinc/30/17/46/1339301746.db2.gz BFYDKFBBMUDJQF-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CCF ZINC001368350440 1339310115 /nfs/dbraw/zinc/31/01/15/1339310115.db2.gz LCNKGQXNNNGOEO-BCDXTJNWSA-N 1 3 339.499 2.581 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]2C1 ZINC001368361187 1339315542 /nfs/dbraw/zinc/31/55/42/1339315542.db2.gz BQJXOSPPDIPSJE-YESZJQIVSA-N 1 3 347.478 2.619 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]2C1 ZINC001368361187 1339315543 /nfs/dbraw/zinc/31/55/43/1339315543.db2.gz BQJXOSPPDIPSJE-YESZJQIVSA-N 1 3 347.478 2.619 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]2C1 ZINC001368361190 1339315715 /nfs/dbraw/zinc/31/57/15/1339315715.db2.gz BQJXOSPPDIPSJE-ZACQAIPSSA-N 1 3 347.478 2.619 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]2C1 ZINC001368361190 1339315717 /nfs/dbraw/zinc/31/57/17/1339315717.db2.gz BQJXOSPPDIPSJE-ZACQAIPSSA-N 1 3 347.478 2.619 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001368367296 1339318045 /nfs/dbraw/zinc/31/80/45/1339318045.db2.gz XMMNXPGNKSEXSZ-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@H]2C1 ZINC001368367296 1339318046 /nfs/dbraw/zinc/31/80/46/1339318046.db2.gz XMMNXPGNKSEXSZ-CALCHBBNSA-N 1 3 349.906 2.572 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001389397365 1353366024 /nfs/dbraw/zinc/36/60/24/1353366024.db2.gz HVMRAVRRVKBZRR-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001389397365 1353366031 /nfs/dbraw/zinc/36/60/31/1353366031.db2.gz HVMRAVRRVKBZRR-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001368428617 1339363691 /nfs/dbraw/zinc/36/36/91/1339363691.db2.gz YXHRVMOPKUWEQD-QZTJIDSGSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001368452032 1339388480 /nfs/dbraw/zinc/38/84/80/1339388480.db2.gz RIMLJXQIDUAQNH-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2ccccc2F)CCC1)N(C)C ZINC001368476062 1339412556 /nfs/dbraw/zinc/41/25/56/1339412556.db2.gz VUZUFWSOFRNICA-SFHVURJKSA-N 1 3 349.494 2.583 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)cc1F ZINC001368479639 1339416494 /nfs/dbraw/zinc/41/64/94/1339416494.db2.gz WOUHJRCFGWWTQA-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]C/C=C\c3ccccc3)C2)CCC1 ZINC001368480369 1339417180 /nfs/dbraw/zinc/41/71/80/1339417180.db2.gz LYTMZSACNOWQAP-LDKCQOMBSA-N 1 3 341.499 2.669 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCc2ccccc2F)CCC1)N(C)C ZINC001368495304 1339433157 /nfs/dbraw/zinc/43/31/57/1339433157.db2.gz VUZUFWSOFRNICA-GOSISDBHSA-N 1 3 349.494 2.583 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001368496927 1339434642 /nfs/dbraw/zinc/43/46/42/1339434642.db2.gz KPYHZRSGHSMQDM-HYVNUMGLSA-N 1 3 337.533 2.690 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001368522697 1339458683 /nfs/dbraw/zinc/45/86/83/1339458683.db2.gz FKDFUSRITGNQRB-UBWPAXIJSA-N 1 3 343.515 2.770 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001368527821 1339465350 /nfs/dbraw/zinc/46/53/50/1339465350.db2.gz NTUZGLOFMBUKFF-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001368527821 1339465355 /nfs/dbraw/zinc/46/53/55/1339465355.db2.gz NTUZGLOFMBUKFF-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001368527975 1339465819 /nfs/dbraw/zinc/46/58/19/1339465819.db2.gz OYENEXCNTYLDQA-GGXPGOJBSA-N 1 3 349.494 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368531448 1339468877 /nfs/dbraw/zinc/46/88/77/1339468877.db2.gz ICDIVSAUWAZYGI-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cccc(F)c2)CC1 ZINC001368531448 1339468880 /nfs/dbraw/zinc/46/88/80/1339468880.db2.gz ICDIVSAUWAZYGI-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1)N(C)C ZINC001368543882 1339481914 /nfs/dbraw/zinc/48/19/14/1339481914.db2.gz CTSWUAGTNYKWHY-SFHVURJKSA-N 1 3 337.483 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1)N(C)C ZINC001368543882 1339481918 /nfs/dbraw/zinc/48/19/18/1339481918.db2.gz CTSWUAGTNYKWHY-SFHVURJKSA-N 1 3 337.483 2.692 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C ZINC001368549244 1339486045 /nfs/dbraw/zinc/48/60/45/1339486045.db2.gz PYBTZYLAKVTMHH-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C ZINC001368549244 1339486051 /nfs/dbraw/zinc/48/60/51/1339486051.db2.gz PYBTZYLAKVTMHH-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001368550889 1339488241 /nfs/dbraw/zinc/48/82/41/1339488241.db2.gz ZPRHZBCDUBSFOG-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001368550889 1339488243 /nfs/dbraw/zinc/48/82/43/1339488243.db2.gz ZPRHZBCDUBSFOG-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001368549927 1339488546 /nfs/dbraw/zinc/48/85/46/1339488546.db2.gz XHYMGYSVBBDSKS-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)CN(C)C1CCC1 ZINC001368549927 1339488552 /nfs/dbraw/zinc/48/85/52/1339488552.db2.gz XHYMGYSVBBDSKS-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001368555361 1339496051 /nfs/dbraw/zinc/49/60/51/1339496051.db2.gz HFKWJAWCAHVZTP-KRWDZBQOSA-N 1 3 339.911 2.961 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001368555361 1339496054 /nfs/dbraw/zinc/49/60/54/1339496054.db2.gz HFKWJAWCAHVZTP-KRWDZBQOSA-N 1 3 339.911 2.961 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001368559202 1339503649 /nfs/dbraw/zinc/50/36/49/1339503649.db2.gz MXKIKEXJSKCPSH-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO CC1CCN(CC(=O)N(C)CCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001368559202 1339503652 /nfs/dbraw/zinc/50/36/52/1339503652.db2.gz MXKIKEXJSKCPSH-UHFFFAOYSA-N 1 3 349.494 2.838 20 0 EFADHO Cc1cc(CN(C)CCCN(C)C(=O)C2(C[NH+](C)C)CC2)cs1 ZINC001368560907 1339505922 /nfs/dbraw/zinc/50/59/22/1339505922.db2.gz OMSNUVWRNWILOD-UHFFFAOYSA-N 1 3 337.533 2.679 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368568324 1339517435 /nfs/dbraw/zinc/51/74/35/1339517435.db2.gz OYLOLTYAZOMAAB-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368568324 1339517439 /nfs/dbraw/zinc/51/74/39/1339517439.db2.gz OYLOLTYAZOMAAB-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)CCC[N@H+](C)CC2CCC2)c1 ZINC001368569287 1339518624 /nfs/dbraw/zinc/51/86/24/1339518624.db2.gz RDOGKXJTOPUDHA-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)CCC[N@@H+](C)CC2CCC2)c1 ZINC001368569287 1339518629 /nfs/dbraw/zinc/51/86/29/1339518629.db2.gz RDOGKXJTOPUDHA-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001368589215 1339535420 /nfs/dbraw/zinc/53/54/20/1339535420.db2.gz KPYHZRSGHSMQDM-XIRDDKMYSA-N 1 3 337.533 2.690 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)[C@@H](C)C1 ZINC001368649079 1339564564 /nfs/dbraw/zinc/56/45/64/1339564564.db2.gz ACDJDHHWKIQYNU-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)[C@@H](C)C1 ZINC001368649079 1339564566 /nfs/dbraw/zinc/56/45/66/1339564566.db2.gz ACDJDHHWKIQYNU-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2cnccc2C)CC1)N(C)C ZINC001368896965 1339837106 /nfs/dbraw/zinc/83/71/06/1339837106.db2.gz DNEOASRKCREQSF-ACBHZAAOSA-N 1 3 346.519 2.589 20 0 EFADHO Cc1cncc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001368902973 1339845035 /nfs/dbraw/zinc/84/50/35/1339845035.db2.gz HKMXJPMOXYAJMD-SFHVURJKSA-N 1 3 348.535 2.550 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001368950095 1339898154 /nfs/dbraw/zinc/89/81/54/1339898154.db2.gz DFXYTRULMPPLGZ-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001368950095 1339898158 /nfs/dbraw/zinc/89/81/58/1339898158.db2.gz DFXYTRULMPPLGZ-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001368950093 1339898614 /nfs/dbraw/zinc/89/86/14/1339898614.db2.gz DFXYTRULMPPLGZ-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001368950093 1339898618 /nfs/dbraw/zinc/89/86/18/1339898618.db2.gz DFXYTRULMPPLGZ-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369085506 1339904249 /nfs/dbraw/zinc/90/42/49/1339904249.db2.gz WDTQKITVEGEIBB-SJORKVTESA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369085500 1339904673 /nfs/dbraw/zinc/90/46/73/1339904673.db2.gz WDTQKITVEGEIBB-IRXDYDNUSA-N 1 3 343.515 2.977 20 0 EFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC001369089854 1339907950 /nfs/dbraw/zinc/90/79/50/1339907950.db2.gz OMNLILMFEPQPCX-IRXDYDNUSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CN(CCc2cccs2)C1 ZINC001369088509 1339908034 /nfs/dbraw/zinc/90/80/34/1339908034.db2.gz BXXZUYCMEMCJAM-MRXNPFEDSA-N 1 3 349.544 2.603 20 0 EFADHO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC001369089855 1339908911 /nfs/dbraw/zinc/90/89/11/1339908911.db2.gz OMNLILMFEPQPCX-SJORKVTESA-N 1 3 343.515 2.916 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001369098591 1339914481 /nfs/dbraw/zinc/91/44/81/1339914481.db2.gz WKKCKYBZQSADQP-RWPMDBHGSA-N 1 3 343.515 2.867 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)s3)C2)CCC1 ZINC001370479920 1340095210 /nfs/dbraw/zinc/09/52/10/1340095210.db2.gz ABBKBPMAKPUCNL-HAQNSBGRSA-N 1 3 341.908 2.623 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1)N(C)C ZINC001370525568 1340116238 /nfs/dbraw/zinc/11/62/38/1340116238.db2.gz UCKDUNOZRVSJNU-XEZPLFJOSA-N 1 3 341.858 2.556 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001370543700 1340126256 /nfs/dbraw/zinc/12/62/56/1340126256.db2.gz ABNBSTLJULNXTD-COLGRIRVSA-N 1 3 329.488 2.523 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001370789548 1340211433 /nfs/dbraw/zinc/21/14/33/1340211433.db2.gz ZKXHAEBIVVDHSN-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001370789548 1340211434 /nfs/dbraw/zinc/21/14/34/1340211434.db2.gz ZKXHAEBIVVDHSN-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919401 1340284898 /nfs/dbraw/zinc/28/48/98/1340284898.db2.gz ZDOARLCHNBMFEM-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1)N(C)C ZINC001370919401 1340284901 /nfs/dbraw/zinc/28/49/01/1340284901.db2.gz ZDOARLCHNBMFEM-CVEARBPZSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001370967088 1340312120 /nfs/dbraw/zinc/31/21/20/1340312120.db2.gz CXMZDFNSFXJQFR-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001370967088 1340312122 /nfs/dbraw/zinc/31/21/22/1340312122.db2.gz CXMZDFNSFXJQFR-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)c(F)c1 ZINC001370968158 1340313415 /nfs/dbraw/zinc/31/34/15/1340313415.db2.gz TYYHBYOLRYOKHI-SFHVURJKSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3cccc(F)c3)C[C@H]21)[NH+](C)C ZINC001371035901 1340328521 /nfs/dbraw/zinc/32/85/21/1340328521.db2.gz VIBCXCIIBIFFJA-RKWNZTQVSA-N 1 3 347.478 2.519 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC001371197127 1340409209 /nfs/dbraw/zinc/40/92/09/1340409209.db2.gz ANOZUMFZAQRJST-OLZOCXBDSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001371340121 1340509835 /nfs/dbraw/zinc/50/98/35/1340509835.db2.gz BDAWGLVPUZNJRY-XJKSGUPXSA-N 1 3 341.446 2.805 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(CF)cc1 ZINC001371363118 1340529707 /nfs/dbraw/zinc/52/97/07/1340529707.db2.gz KXWFXVYUVWEESL-OAHLLOKOSA-N 1 3 337.483 2.728 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCc1ccccc1Cl)N(C)C ZINC001371433492 1340588081 /nfs/dbraw/zinc/58/80/81/1340588081.db2.gz VAFIIKBLRLEXST-WMLDXEAASA-N 1 3 339.911 2.563 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1)CC(C)(C)C ZINC001371626615 1340683205 /nfs/dbraw/zinc/68/32/05/1340683205.db2.gz DDCMRTPTZRATGL-MSOLQXFVSA-N 1 3 346.519 2.577 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001371832383 1340710026 /nfs/dbraw/zinc/71/00/26/1340710026.db2.gz ZFJSVIIIWTZUQF-MJGOQNOKSA-N 1 3 333.520 2.936 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001371997667 1340743160 /nfs/dbraw/zinc/74/31/60/1340743160.db2.gz RJMVMPZNTPARCT-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001371997667 1340743163 /nfs/dbraw/zinc/74/31/63/1340743163.db2.gz RJMVMPZNTPARCT-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)Cc1cccc(F)c1 ZINC001372365798 1340771512 /nfs/dbraw/zinc/77/15/12/1340771512.db2.gz VKOTUXDEHXMAFB-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)Cc1cccc(F)c1 ZINC001372365798 1340771515 /nfs/dbraw/zinc/77/15/15/1340771515.db2.gz VKOTUXDEHXMAFB-LJQANCHMSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372840509 1340832263 /nfs/dbraw/zinc/83/22/63/1340832263.db2.gz IIMOQQGDIVIYNE-KBXCAEBGSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001372840509 1340832269 /nfs/dbraw/zinc/83/22/69/1340832269.db2.gz IIMOQQGDIVIYNE-KBXCAEBGSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@@H]([NH2+]C/C(Cl)=C\Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001372991954 1340867736 /nfs/dbraw/zinc/86/77/36/1340867736.db2.gz GZRQPGNIWOWCDN-RUDQYUADSA-N 1 3 348.318 2.616 20 0 EFADHO CN(C/C=C\Cl)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001373333476 1340994965 /nfs/dbraw/zinc/99/49/65/1340994965.db2.gz NWNWWYZOCVWKLY-UITAMQMPSA-N 1 3 341.927 2.785 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001373877506 1341185337 /nfs/dbraw/zinc/18/53/37/1341185337.db2.gz IPWOWEZSIXPGOC-OAQYLSRUSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC001373949778 1341240728 /nfs/dbraw/zinc/24/07/28/1341240728.db2.gz MFISINUMEXYRMF-HXUWFJFHSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374017652 1341305879 /nfs/dbraw/zinc/30/58/79/1341305879.db2.gz WWFDQFIUTQKCOJ-QAPCUYQASA-N 1 3 335.467 2.540 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(Cl)s1 ZINC001374076761 1341368831 /nfs/dbraw/zinc/36/88/31/1341368831.db2.gz MNUAGMLUFJRXRI-OLZOCXBDSA-N 1 3 343.924 2.585 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001374076708 1341369052 /nfs/dbraw/zinc/36/90/52/1341369052.db2.gz BSJHQUXEUCRHSK-VQIMIIECSA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374102322 1341406838 /nfs/dbraw/zinc/40/68/38/1341406838.db2.gz ZCFXWRLRKIFZRB-XJKSGUPXSA-N 1 3 325.884 2.522 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233562 1341587727 /nfs/dbraw/zinc/58/77/27/1341587727.db2.gz NHGBZEZOEHHLLP-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233563 1341587797 /nfs/dbraw/zinc/58/77/97/1341587797.db2.gz NHGBZEZOEHHLLP-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1C ZINC001374248101 1341606407 /nfs/dbraw/zinc/60/64/07/1341606407.db2.gz XUSOOGBDEDKPBA-KXBFYZLASA-N 1 3 349.519 2.526 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001374321038 1341719171 /nfs/dbraw/zinc/71/91/71/1341719171.db2.gz NDRBNACDLHYVMZ-RHSMWYFYSA-N 1 3 339.911 2.863 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001374380732 1341828880 /nfs/dbraw/zinc/82/88/80/1341828880.db2.gz DKRGMKAXEOIHCM-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001392524591 1356098519 /nfs/dbraw/zinc/09/85/19/1356098519.db2.gz KISJYTJYXQNRBJ-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001374424559 1341905987 /nfs/dbraw/zinc/90/59/87/1341905987.db2.gz SGYUOUSOPWCXJD-OALUTQOASA-N 1 3 333.520 2.812 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001374431558 1341913733 /nfs/dbraw/zinc/91/37/33/1341913733.db2.gz MVVPSBFAWGURSK-QAPCUYQASA-N 1 3 349.494 2.959 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)c1ccccc1F ZINC001374431556 1341913747 /nfs/dbraw/zinc/91/37/47/1341913747.db2.gz MVVPSBFAWGURSK-CRAIPNDOSA-N 1 3 349.494 2.959 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(F)ccc1C)C(C)C)N(C)C ZINC001374438223 1341920877 /nfs/dbraw/zinc/92/08/77/1341920877.db2.gz WDKAZWLVPHIIGX-MSOLQXFVSA-N 1 3 337.483 2.705 20 0 EFADHO C[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)C(C)(C)N1CCCCC1 ZINC001392561901 1356122053 /nfs/dbraw/zinc/12/20/53/1356122053.db2.gz RJEJHESMYGGSKB-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001392567612 1356126607 /nfs/dbraw/zinc/12/66/07/1356126607.db2.gz KTZKALUEOYVGAD-YJBOKZPZSA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001392576042 1356132444 /nfs/dbraw/zinc/13/24/44/1356132444.db2.gz PHIMFSWVLYUKCK-LRDDRELGSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001392663554 1356211517 /nfs/dbraw/zinc/21/15/17/1356211517.db2.gz ZVYKXHVFYNZQFL-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001392663554 1356211518 /nfs/dbraw/zinc/21/15/18/1356211518.db2.gz ZVYKXHVFYNZQFL-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500197 1341985810 /nfs/dbraw/zinc/98/58/10/1341985810.db2.gz SUIWIGYQLYDRMV-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001374500197 1341985812 /nfs/dbraw/zinc/98/58/12/1341985812.db2.gz SUIWIGYQLYDRMV-KRWDZBQOSA-N 1 3 331.504 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@H](C)c1ccc(F)cc1)[NH+](C)C ZINC001374504492 1341992103 /nfs/dbraw/zinc/99/21/03/1341992103.db2.gz VUXHRBOQENHXGG-QAPCUYQASA-N 1 3 337.483 2.863 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001392708156 1356261219 /nfs/dbraw/zinc/26/12/19/1356261219.db2.gz DEZQGGCINPLALB-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN(C)Cc1ccc(Cl)cc1 ZINC001392708156 1356261227 /nfs/dbraw/zinc/26/12/27/1356261227.db2.gz DEZQGGCINPLALB-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1ccccc1CN(C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001374557876 1342070072 /nfs/dbraw/zinc/07/00/72/1342070072.db2.gz RYMMJPDDKVKSNK-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)CN(C)C1CCC1 ZINC001374702637 1342121123 /nfs/dbraw/zinc/12/11/23/1342121123.db2.gz YXXCFPGIDOZZPW-GJZGRUSLSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1ncccc1CNC[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001374792446 1342173447 /nfs/dbraw/zinc/17/34/47/1342173447.db2.gz UUTBQXPUCWLVRJ-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1ncccc1CNC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001374792446 1342173449 /nfs/dbraw/zinc/17/34/49/1342173449.db2.gz UUTBQXPUCWLVRJ-MRXNPFEDSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1)N(C)C ZINC001374815190 1342186787 /nfs/dbraw/zinc/18/67/87/1342186787.db2.gz WNYRHWNHXCFLBF-IOASZLSFSA-N 1 3 325.884 2.836 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCN3C(C)C)CC2)c1 ZINC001392939086 1356447987 /nfs/dbraw/zinc/44/79/87/1356447987.db2.gz CLCWTMVKSDXKDT-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001374925403 1342244550 /nfs/dbraw/zinc/24/45/50/1342244550.db2.gz ICVOBZLAEVZHLF-AWEZNQCLSA-N 1 3 325.884 2.585 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001374926772 1342245263 /nfs/dbraw/zinc/24/52/63/1342245263.db2.gz SCTSBTCZRRCIDB-UONOGXRCSA-N 1 3 325.884 2.837 20 0 EFADHO COc1cccc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1C ZINC001374932822 1342249636 /nfs/dbraw/zinc/24/96/36/1342249636.db2.gz AYUQKLLHDNDBMZ-HNNXBMFYSA-N 1 3 349.519 2.576 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc2ccccc21)N(C)C ZINC001374960515 1342269918 /nfs/dbraw/zinc/26/99/18/1342269918.db2.gz ANSTVGJEVMMVQV-KXBFYZLASA-N 1 3 327.472 2.774 20 0 EFADHO CCc1ccc(CN(C)C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001375097397 1342406173 /nfs/dbraw/zinc/40/61/73/1342406173.db2.gz XGJWMKQBSSJYDO-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@H+](C)CC1CCC(F)(F)CC1 ZINC001375152615 1342467966 /nfs/dbraw/zinc/46/79/66/1342467966.db2.gz YPHSEGBWVUJWBB-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001375152615 1342467969 /nfs/dbraw/zinc/46/79/69/1342467969.db2.gz YPHSEGBWVUJWBB-CQSZACIVSA-N 1 3 333.467 2.590 20 0 EFADHO C[C@@H](CN(C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001375157307 1342473619 /nfs/dbraw/zinc/47/36/19/1342473619.db2.gz HOISZXRILWGGIS-INIZCTEOSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCc2ccccc2F)C1 ZINC001393386751 1356807376 /nfs/dbraw/zinc/80/73/76/1356807376.db2.gz IBXMHKVCORNWNZ-AEFFLSMTSA-N 1 3 349.494 2.537 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001375424292 1342727676 /nfs/dbraw/zinc/72/76/76/1342727676.db2.gz CLKTYSCZRVAHNL-MRXNPFEDSA-N 1 3 335.517 2.669 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(NCc2csc(C)c2)CC1 ZINC001375424292 1342727681 /nfs/dbraw/zinc/72/76/81/1342727681.db2.gz CLKTYSCZRVAHNL-MRXNPFEDSA-N 1 3 335.517 2.669 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(CC)c2)CC1 ZINC001375425261 1342727995 /nfs/dbraw/zinc/72/79/95/1342727995.db2.gz NVTYSERPNNHXIJ-IBGZPJMESA-N 1 3 343.515 2.862 20 0 EFADHO Cc1cc(CNC2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(C)s1 ZINC001375433482 1342737954 /nfs/dbraw/zinc/73/79/54/1342737954.db2.gz PVKQQSDACOPQEE-INIZCTEOSA-N 1 3 337.533 2.690 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(Cl)c(F)c2)CC1 ZINC001375469340 1342776435 /nfs/dbraw/zinc/77/64/35/1342776435.db2.gz GSIXVSLHDNRROZ-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001375540416 1342852304 /nfs/dbraw/zinc/85/23/04/1342852304.db2.gz CXNBZRRKNSMTFM-WNHJNPCNSA-N 1 3 343.515 2.882 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1)N(C)C ZINC001375548386 1342861202 /nfs/dbraw/zinc/86/12/02/1342861202.db2.gz FOFRNOQCEKVBDT-OHHBCXFOSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1)c1ccccc1 ZINC001375548056 1342861559 /nfs/dbraw/zinc/86/15/59/1342861559.db2.gz BPQXHNNARSSFQS-WNHJNPCNSA-N 1 3 331.504 2.962 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001375551079 1342864831 /nfs/dbraw/zinc/86/48/31/1342864831.db2.gz UBBZLYGQZLSIOA-SFNKJDCFSA-N 1 3 329.488 2.574 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375558213 1342873867 /nfs/dbraw/zinc/87/38/67/1342873867.db2.gz QTYHSJQZCMIRNT-OHDICMOHSA-N 1 3 349.494 2.957 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C)c3)CC[C@@H]2C1 ZINC001375713006 1342948055 /nfs/dbraw/zinc/94/80/55/1342948055.db2.gz ZNBOXTRZHJJURC-UXHICEINSA-N 1 3 343.515 2.617 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C)c3)CC[C@@H]2C1 ZINC001375713006 1342948057 /nfs/dbraw/zinc/94/80/57/1342948057.db2.gz ZNBOXTRZHJJURC-UXHICEINSA-N 1 3 343.515 2.617 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1)CC(C)(C)C ZINC001375764463 1342986914 /nfs/dbraw/zinc/98/69/14/1342986914.db2.gz ZOKRGDRHVJPBHY-GOSISDBHSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001375769275 1342990317 /nfs/dbraw/zinc/99/03/17/1342990317.db2.gz XKNBYWYUMDNFPK-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2csc(C)c2)CC1)N(C)C ZINC001375781352 1343004501 /nfs/dbraw/zinc/00/45/01/1343004501.db2.gz SIQGZJOHWTYXJA-INIZCTEOSA-N 1 3 337.533 2.867 20 0 EFADHO CCc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001375893276 1343140254 /nfs/dbraw/zinc/14/02/54/1343140254.db2.gz VMQWERVYQUDLAX-FQEVSTJZSA-N 1 3 340.471 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001376016560 1343262095 /nfs/dbraw/zinc/26/20/95/1343262095.db2.gz PMQNBZHHLYQOSP-HXUWFJFHSA-N 1 3 345.531 2.882 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001376022859 1343266826 /nfs/dbraw/zinc/26/68/26/1343266826.db2.gz ORZYHAIFXIQCBB-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001376064501 1343297963 /nfs/dbraw/zinc/29/79/63/1343297963.db2.gz RRMBCEKPGQTNAZ-UXHICEINSA-N 1 3 345.531 2.970 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC001376069413 1343303570 /nfs/dbraw/zinc/30/35/70/1343303570.db2.gz LCTNKZOEMVHCIX-FQEVSTJZSA-N 1 3 343.515 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001376132743 1343343914 /nfs/dbraw/zinc/34/39/14/1343343914.db2.gz JSVHPLDKDRJMNN-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001376132743 1343343919 /nfs/dbraw/zinc/34/39/19/1343343919.db2.gz JSVHPLDKDRJMNN-ROUUACIJSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001376211966 1343402297 /nfs/dbraw/zinc/40/22/97/1343402297.db2.gz GWAVNIIAVVCVOA-KRWDZBQOSA-N 1 3 335.517 2.525 20 0 EFADHO C[C@@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001376223094 1343408823 /nfs/dbraw/zinc/40/88/23/1343408823.db2.gz ZWBITZMSMLKGSZ-RDTXWAMCSA-N 1 3 347.478 2.855 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001393756523 1357129511 /nfs/dbraw/zinc/12/95/11/1357129511.db2.gz FHWPADOANBXPER-MOPGFXCFSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC001393756523 1357129513 /nfs/dbraw/zinc/12/95/13/1357129513.db2.gz FHWPADOANBXPER-MOPGFXCFSA-N 1 3 345.531 2.990 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001376328430 1343486834 /nfs/dbraw/zinc/48/68/34/1343486834.db2.gz HPRMPYZNVSRIPC-HOTGVXAUSA-N 1 3 349.544 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC001376340720 1343496729 /nfs/dbraw/zinc/49/67/29/1343496729.db2.gz MAAJSYLELRQWAR-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001376371802 1343523327 /nfs/dbraw/zinc/52/33/27/1343523327.db2.gz LPLJGOHYWHJHNR-FHWLQOOXSA-N 1 3 331.504 2.626 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N(C)C ZINC001376380714 1343534701 /nfs/dbraw/zinc/53/47/01/1343534701.db2.gz YDBCYETXNOCPAV-YRPNKDGESA-N 1 3 343.515 2.886 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N(C)C ZINC001376380714 1343534703 /nfs/dbraw/zinc/53/47/03/1343534703.db2.gz YDBCYETXNOCPAV-YRPNKDGESA-N 1 3 343.515 2.886 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376560959 1343677484 /nfs/dbraw/zinc/67/74/84/1343677484.db2.gz UDNMNGPJUTVSKC-ZWKOTPCHSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC1 ZINC001376615734 1343722826 /nfs/dbraw/zinc/72/28/26/1343722826.db2.gz LUPLKLIBJFFDGD-QAQDUYKDSA-N 1 3 334.508 2.961 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001376617525 1343726090 /nfs/dbraw/zinc/72/60/90/1343726090.db2.gz ZHFUOVXLOMNJKK-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1CNCc1ncccc1C ZINC001376617525 1343726097 /nfs/dbraw/zinc/72/60/97/1343726097.db2.gz ZHFUOVXLOMNJKK-SFHVURJKSA-N 1 3 346.519 2.593 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001376741278 1343797073 /nfs/dbraw/zinc/79/70/73/1343797073.db2.gz AKSZBXSHXPVMAW-MJGOQNOKSA-N 1 3 333.520 2.792 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H](CC)N(C)C)CCC2)c1 ZINC001376751581 1343806088 /nfs/dbraw/zinc/80/60/88/1343806088.db2.gz PQPYBPGCLRPYJD-GOSISDBHSA-N 1 3 331.504 2.718 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCC1)N(C)C ZINC001376773614 1343825593 /nfs/dbraw/zinc/82/55/93/1343825593.db2.gz GHMRVPFDAFIHHS-YRVHBARZSA-N 1 3 343.515 2.915 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@@H](C(C)C)N(C)C)CCC1 ZINC001376774175 1343826440 /nfs/dbraw/zinc/82/64/40/1343826440.db2.gz IQCGQSVODCKTJS-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001376795057 1343844354 /nfs/dbraw/zinc/84/43/54/1343844354.db2.gz AUHPDXTZOIIFBK-MRXNPFEDSA-N 1 3 345.531 2.748 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001376812690 1343864088 /nfs/dbraw/zinc/86/40/88/1343864088.db2.gz QQTKBSYIRFMFHB-GJZGRUSLSA-N 1 3 337.483 2.959 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001376851602 1343892132 /nfs/dbraw/zinc/89/21/32/1343892132.db2.gz UOWPSVFTQHAQAG-YOEHRIQHSA-N 1 3 339.911 2.829 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCc2ccccc2)[C@@H](C)C1 ZINC001393786014 1357154048 /nfs/dbraw/zinc/15/40/48/1357154048.db2.gz ILGPQPYADPBPAZ-AZUAARDMSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCc2ccccc2)[C@@H](C)C1 ZINC001393786014 1357154051 /nfs/dbraw/zinc/15/40/51/1357154051.db2.gz ILGPQPYADPBPAZ-AZUAARDMSA-N 1 3 345.531 2.930 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001376898330 1343937101 /nfs/dbraw/zinc/93/71/01/1343937101.db2.gz YDKYYOBTUQPSAM-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1 ZINC001376898330 1343937104 /nfs/dbraw/zinc/93/71/04/1343937104.db2.gz YDKYYOBTUQPSAM-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)CC1 ZINC001376914206 1343952750 /nfs/dbraw/zinc/95/27/50/1343952750.db2.gz RVMNLCPMQVSABE-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)CC1 ZINC001376914206 1343952753 /nfs/dbraw/zinc/95/27/53/1343952753.db2.gz RVMNLCPMQVSABE-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001376914662 1343953579 /nfs/dbraw/zinc/95/35/79/1343953579.db2.gz TYZCIFSIOGOQNJ-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001376914662 1343953583 /nfs/dbraw/zinc/95/35/83/1343953583.db2.gz TYZCIFSIOGOQNJ-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001376916904 1343955028 /nfs/dbraw/zinc/95/50/28/1343955028.db2.gz CFKVFXRFNWHEOB-HIFRSBDPSA-N 1 3 339.430 2.558 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCCCC1)N(C)C ZINC001376936812 1343968707 /nfs/dbraw/zinc/96/87/07/1343968707.db2.gz NINLMJPUWZPTDD-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)CC1CCCCC1)N(C)C ZINC001376936812 1343968708 /nfs/dbraw/zinc/96/87/08/1343968708.db2.gz NINLMJPUWZPTDD-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001376945474 1343975729 /nfs/dbraw/zinc/97/57/29/1343975729.db2.gz JKTZIISKCSWSDE-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCCN1C ZINC001376945474 1343975731 /nfs/dbraw/zinc/97/57/31/1343975731.db2.gz JKTZIISKCSWSDE-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001376968195 1343996290 /nfs/dbraw/zinc/99/62/90/1343996290.db2.gz ZFINTUMQOMIWLZ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c(C)s1 ZINC001376968195 1343996296 /nfs/dbraw/zinc/99/62/96/1343996296.db2.gz ZFINTUMQOMIWLZ-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001377038398 1344084347 /nfs/dbraw/zinc/08/43/47/1344084347.db2.gz YHZRMRHICXOPCS-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C2(N(C)C)CCC2)c1 ZINC001377038584 1344084818 /nfs/dbraw/zinc/08/48/18/1344084818.db2.gz YYWUUTNAOJEPKS-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001377092849 1344128810 /nfs/dbraw/zinc/12/88/10/1344128810.db2.gz LYFKMWHMAQRKRS-QAPCUYQASA-N 1 3 337.483 2.705 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001377188230 1344143820 /nfs/dbraw/zinc/14/38/20/1344143820.db2.gz FWVVQXMLHOXMCT-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001377188230 1344143824 /nfs/dbraw/zinc/14/38/24/1344143824.db2.gz FWVVQXMLHOXMCT-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001377373823 1344155753 /nfs/dbraw/zinc/15/57/53/1344155753.db2.gz CCPOLOLIKCJABT-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)[C@@H](C)C1 ZINC001377373823 1344155754 /nfs/dbraw/zinc/15/57/54/1344155754.db2.gz CCPOLOLIKCJABT-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001377613831 1344221946 /nfs/dbraw/zinc/22/19/46/1344221946.db2.gz VKOYOOZCYHGGQN-FPTQRPOBSA-N 1 3 329.916 2.542 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001377654113 1344272936 /nfs/dbraw/zinc/27/29/36/1344272936.db2.gz JHWGHVTUEWBYMH-VQTJNVASSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001377654113 1344272938 /nfs/dbraw/zinc/27/29/38/1344272938.db2.gz JHWGHVTUEWBYMH-VQTJNVASSA-N 1 3 343.515 2.555 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]CC=C(Cl)Cl ZINC001393815309 1357179540 /nfs/dbraw/zinc/17/95/40/1357179540.db2.gz KCYJPDDOYBZQBH-LBPRGKRZSA-N 1 3 338.323 2.768 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001377703709 1344345411 /nfs/dbraw/zinc/34/54/11/1344345411.db2.gz XGXGTOSBTMCNEK-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001377703709 1344345418 /nfs/dbraw/zinc/34/54/18/1344345418.db2.gz XGXGTOSBTMCNEK-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001393824473 1357187449 /nfs/dbraw/zinc/18/74/49/1357187449.db2.gz KOUPHMPIWYLDMJ-KXBFYZLASA-N 1 3 342.487 2.559 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001393830223 1357193981 /nfs/dbraw/zinc/19/39/81/1357193981.db2.gz VPBYEHAJECRQQY-HNNXBMFYSA-N 1 3 328.460 2.562 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001378004202 1344654003 /nfs/dbraw/zinc/65/40/03/1344654003.db2.gz CDZCLHSAEQJKHR-MRXNPFEDSA-N 1 3 343.515 2.626 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001378004202 1344654006 /nfs/dbraw/zinc/65/40/06/1344654006.db2.gz CDZCLHSAEQJKHR-MRXNPFEDSA-N 1 3 343.515 2.626 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064165 1344717599 /nfs/dbraw/zinc/71/75/99/1344717599.db2.gz LZFNUVOKQBHFQY-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001378064165 1344717603 /nfs/dbraw/zinc/71/76/03/1344717603.db2.gz LZFNUVOKQBHFQY-SFHVURJKSA-N 1 3 345.531 2.848 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001378164716 1344833613 /nfs/dbraw/zinc/83/36/13/1344833613.db2.gz KIAOSIPKBNFHSP-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001378181878 1344853917 /nfs/dbraw/zinc/85/39/17/1344853917.db2.gz LDWLXUPYFSUFOF-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001378181878 1344853922 /nfs/dbraw/zinc/85/39/22/1344853922.db2.gz LDWLXUPYFSUFOF-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCc1ccccc1Cl ZINC001378304742 1344971594 /nfs/dbraw/zinc/97/15/94/1344971594.db2.gz RXFUJCNSXCLSFK-NVXWUHKLSA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001378307353 1344974433 /nfs/dbraw/zinc/97/44/33/1344974433.db2.gz YRLBVOPJJRXVNW-RTBURBONSA-N 1 3 333.520 2.874 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001378450926 1345087606 /nfs/dbraw/zinc/08/76/06/1345087606.db2.gz FFZZCYSHDZKBEH-KZNAEPCWSA-N 1 3 335.467 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001378450921 1345087691 /nfs/dbraw/zinc/08/76/91/1345087691.db2.gz FFZZCYSHDZKBEH-BZSNNMDCSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001378558136 1345161839 /nfs/dbraw/zinc/16/18/39/1345161839.db2.gz MNPJFFTZBAOTKA-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2c(C)cccc2C)C1)N(C)C ZINC001378587857 1345182821 /nfs/dbraw/zinc/18/28/21/1345182821.db2.gz VEOGBYGRCKQGDT-LPHOPBHVSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001378608303 1345195345 /nfs/dbraw/zinc/19/53/45/1345195345.db2.gz CNLJPEWWLHDSJS-QFBILLFUSA-N 1 3 333.520 2.732 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]C[C@H](C)CC(C)C)CCCC1 ZINC001378717642 1345272125 /nfs/dbraw/zinc/27/21/25/1345272125.db2.gz YEGSKFWWSRRGMJ-OAHLLOKOSA-N 1 3 334.508 2.961 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001378813265 1345333209 /nfs/dbraw/zinc/33/32/09/1345333209.db2.gz QSMUGNLHSNZETO-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)CC(C)(C)C)cc1 ZINC001378827729 1345344104 /nfs/dbraw/zinc/34/41/04/1345344104.db2.gz HWRKROFFZSBNEP-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001378847395 1345360320 /nfs/dbraw/zinc/36/03/20/1345360320.db2.gz VETQYMKXERWGOW-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 ZINC001378885372 1345394840 /nfs/dbraw/zinc/39/48/40/1345394840.db2.gz MFTCDOWEDJYYCH-MSOLQXFVSA-N 1 3 325.541 2.883 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001378931509 1345437151 /nfs/dbraw/zinc/43/71/51/1345437151.db2.gz ZIKKTKCCXLIZGF-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1)N(C)C ZINC001379022991 1345504187 /nfs/dbraw/zinc/50/41/87/1345504187.db2.gz OJPVSYXYSRYKJM-OALUTQOASA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001379031588 1345512284 /nfs/dbraw/zinc/51/22/84/1345512284.db2.gz NCWUCZRFDQOOTF-HNAYVOBHSA-N 1 3 340.471 2.848 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001379031812 1345513301 /nfs/dbraw/zinc/51/33/01/1345513301.db2.gz KALNCJHIFUNXQL-IBGZPJMESA-N 1 3 331.504 2.596 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)c(C)c1 ZINC001379031812 1345513307 /nfs/dbraw/zinc/51/33/07/1345513307.db2.gz KALNCJHIFUNXQL-IBGZPJMESA-N 1 3 331.504 2.596 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1C)C1CC1)N(C)C ZINC001379037918 1345520574 /nfs/dbraw/zinc/52/05/74/1345520574.db2.gz WTOLNRGHLLGIBE-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@H]2CCc3ccc(F)cc32)CCC1 ZINC001379051838 1345533465 /nfs/dbraw/zinc/53/34/65/1345533465.db2.gz MIMSELIXHROORL-SFHVURJKSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@H]2CCc3ccc(F)cc32)CCC1 ZINC001379051838 1345533469 /nfs/dbraw/zinc/53/34/69/1345533469.db2.gz MIMSELIXHROORL-SFHVURJKSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001379100347 1345576784 /nfs/dbraw/zinc/57/67/84/1345576784.db2.gz SIACZOVHHYICSH-ABMFHFBKSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001379100347 1345576786 /nfs/dbraw/zinc/57/67/86/1345576786.db2.gz SIACZOVHHYICSH-ABMFHFBKSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001379101795 1345578785 /nfs/dbraw/zinc/57/87/85/1345578785.db2.gz WNDWGYZKGKBRSZ-MSOLQXFVSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001379101795 1345578787 /nfs/dbraw/zinc/57/87/87/1345578787.db2.gz WNDWGYZKGKBRSZ-MSOLQXFVSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001379146680 1345624389 /nfs/dbraw/zinc/62/43/89/1345624389.db2.gz LXZHQBTYSXIBEV-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001379266794 1345687503 /nfs/dbraw/zinc/68/75/03/1345687503.db2.gz LRTKASCQZKYXKQ-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC001379266794 1345687507 /nfs/dbraw/zinc/68/75/07/1345687507.db2.gz LRTKASCQZKYXKQ-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C ZINC001379317001 1345720470 /nfs/dbraw/zinc/72/04/70/1345720470.db2.gz MLCOEFGAYOKLEI-ZWKOTPCHSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001379599213 1345910954 /nfs/dbraw/zinc/91/09/54/1345910954.db2.gz SRYPNIGELJGVQK-BLLLJJGKSA-N 1 3 325.522 2.545 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001418825090 1374546408 /nfs/dbraw/zinc/54/64/08/1374546408.db2.gz SILSEXFFXKMAGP-XJKSGUPXSA-N 1 3 325.884 2.789 20 0 EFADHO CCc1ccccc1CC[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379677046 1347252139 /nfs/dbraw/zinc/25/21/39/1347252139.db2.gz HQGBAUSKEDVDFL-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379677046 1347252142 /nfs/dbraw/zinc/25/21/42/1347252142.db2.gz HQGBAUSKEDVDFL-KRWDZBQOSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001379679259 1347253477 /nfs/dbraw/zinc/25/34/77/1347253477.db2.gz NIOILFFRFRKLMY-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001379679259 1347253479 /nfs/dbraw/zinc/25/34/79/1347253479.db2.gz NIOILFFRFRKLMY-MRXNPFEDSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379687977 1347259808 /nfs/dbraw/zinc/25/98/08/1347259808.db2.gz ZURXMFBGHNNZCI-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379687977 1347259811 /nfs/dbraw/zinc/25/98/11/1347259811.db2.gz ZURXMFBGHNNZCI-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001379689985 1347261147 /nfs/dbraw/zinc/26/11/47/1347261147.db2.gz XHSTXCKILVLQLJ-RBUKOAKNSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001379770997 1347321838 /nfs/dbraw/zinc/32/18/38/1347321838.db2.gz YGVPBJFKPUSLLQ-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001379770997 1347321844 /nfs/dbraw/zinc/32/18/44/1347321844.db2.gz YGVPBJFKPUSLLQ-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001379908979 1347400524 /nfs/dbraw/zinc/40/05/24/1347400524.db2.gz LINIGOQLORWKGV-RTBURBONSA-N 1 3 347.478 2.639 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C\c2ccccc2)CC1 ZINC001380077595 1347504059 /nfs/dbraw/zinc/50/40/59/1347504059.db2.gz FOZOTBGBYLGKLX-FUKWUPMWSA-N 1 3 341.499 2.813 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC001380078435 1347505116 /nfs/dbraw/zinc/50/51/16/1347505116.db2.gz JBZKWWJPYDVOIZ-KRWDZBQOSA-N 1 3 349.906 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380078435 1347505119 /nfs/dbraw/zinc/50/51/19/1347505119.db2.gz JBZKWWJPYDVOIZ-KRWDZBQOSA-N 1 3 349.906 2.953 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2cccc(Cl)c2)CC1 ZINC001380078435 1347505121 /nfs/dbraw/zinc/50/51/21/1347505121.db2.gz JBZKWWJPYDVOIZ-KRWDZBQOSA-N 1 3 349.906 2.953 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c1 ZINC001380081874 1347506695 /nfs/dbraw/zinc/50/66/95/1347506695.db2.gz GKHYUCNUEKNIOJ-IBGZPJMESA-N 1 3 343.515 2.915 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)c(C)s1 ZINC001380100634 1347515165 /nfs/dbraw/zinc/51/51/65/1347515165.db2.gz HIXWINWXSGRULX-UHFFFAOYSA-N 1 3 335.517 2.588 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)C1 ZINC001380140575 1347530442 /nfs/dbraw/zinc/53/04/42/1347530442.db2.gz NTQZVNQTSQKRBC-GOSISDBHSA-N 1 3 329.488 2.547 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(NCc3ccccc3)CC2)C1 ZINC001380140575 1347530444 /nfs/dbraw/zinc/53/04/44/1347530444.db2.gz NTQZVNQTSQKRBC-GOSISDBHSA-N 1 3 329.488 2.547 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NCC2(NCc3ccccc3)CC2)C1 ZINC001380140580 1347530519 /nfs/dbraw/zinc/53/05/19/1347530519.db2.gz NTQZVNQTSQKRBC-SFHVURJKSA-N 1 3 329.488 2.547 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NCC2(NCc3ccccc3)CC2)C1 ZINC001380140580 1347530521 /nfs/dbraw/zinc/53/05/21/1347530521.db2.gz NTQZVNQTSQKRBC-SFHVURJKSA-N 1 3 329.488 2.547 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl ZINC001380280743 1347567041 /nfs/dbraw/zinc/56/70/41/1347567041.db2.gz AJZIEEDIFXKGCU-MRXNPFEDSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1 ZINC001380288895 1347570606 /nfs/dbraw/zinc/57/06/06/1347570606.db2.gz YZXNJERQGORDES-MJGOQNOKSA-N 1 3 331.504 2.978 20 0 EFADHO CN(CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001380401791 1347648229 /nfs/dbraw/zinc/64/82/29/1347648229.db2.gz RCGUQANEUDYTBD-FQEVSTJZSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)CC(C)(C)C ZINC001380472518 1347701423 /nfs/dbraw/zinc/70/14/23/1347701423.db2.gz HPLURILRTRVAJM-FQEVSTJZSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1)CC(C)(C)C ZINC001380472518 1347701427 /nfs/dbraw/zinc/70/14/27/1347701427.db2.gz HPLURILRTRVAJM-FQEVSTJZSA-N 1 3 337.552 2.983 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CC(F)(F)C2)C1)N(C)C ZINC001380488724 1347716647 /nfs/dbraw/zinc/71/66/47/1347716647.db2.gz XHXCGEMFQXFWFM-DOTOQJQBSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC(F)(F)C2)C1)N(C)C ZINC001380488724 1347716650 /nfs/dbraw/zinc/71/66/50/1347716650.db2.gz XHXCGEMFQXFWFM-DOTOQJQBSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CC(F)(F)C2)C1)N(C)C ZINC001380488734 1347716665 /nfs/dbraw/zinc/71/66/65/1347716665.db2.gz XHXCGEMFQXFWFM-RDJZCZTQSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC(F)(F)C2)C1)N(C)C ZINC001380488734 1347716668 /nfs/dbraw/zinc/71/66/68/1347716668.db2.gz XHXCGEMFQXFWFM-RDJZCZTQSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001380675706 1347805140 /nfs/dbraw/zinc/80/51/40/1347805140.db2.gz ZIMMWPIMUQEXKO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001380675728 1347805187 /nfs/dbraw/zinc/80/51/87/1347805187.db2.gz ZIMMWPIMUQEXKO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCCC(C)(C)C)C[C@@H]3C2)CCC1 ZINC001380704466 1347824986 /nfs/dbraw/zinc/82/49/86/1347824986.db2.gz KELZBSRVRSHISU-CALCHBBNSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+](CCCC(C)(C)C)C[C@@H]3C2)CCC1 ZINC001380704466 1347824989 /nfs/dbraw/zinc/82/49/89/1347824989.db2.gz KELZBSRVRSHISU-CALCHBBNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001380803985 1347889682 /nfs/dbraw/zinc/88/96/82/1347889682.db2.gz MPOQEQHTRGQLKP-FHWLQOOXSA-N 1 3 331.504 2.791 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001380966592 1347990165 /nfs/dbraw/zinc/99/01/65/1347990165.db2.gz RVCMXQIWAMJTAJ-QGZVFWFLSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)cc1C ZINC001380966592 1347990167 /nfs/dbraw/zinc/99/01/67/1347990167.db2.gz RVCMXQIWAMJTAJ-QGZVFWFLSA-N 1 3 345.531 2.926 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001380991004 1348009637 /nfs/dbraw/zinc/00/96/37/1348009637.db2.gz STPPQNIEOLYDLU-ROUUACIJSA-N 1 3 341.515 2.638 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CCCN(CCF)C2)C1 ZINC001380991004 1348009640 /nfs/dbraw/zinc/00/96/40/1348009640.db2.gz STPPQNIEOLYDLU-ROUUACIJSA-N 1 3 341.515 2.638 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991117 1348009803 /nfs/dbraw/zinc/00/98/03/1348009803.db2.gz UPCBEAFMSVCPEG-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991117 1348009807 /nfs/dbraw/zinc/00/98/07/1348009807.db2.gz UPCBEAFMSVCPEG-ZWKOTPCHSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccccc1F ZINC001381165298 1348115200 /nfs/dbraw/zinc/11/52/00/1348115200.db2.gz BFUFFUFQYQIERD-FUHWJXTLSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCc2cccs2)[C@H](C)C1 ZINC001381174602 1348121885 /nfs/dbraw/zinc/12/18/85/1348121885.db2.gz PUHIUWMPBZHERH-HZPDHXFCSA-N 1 3 337.533 2.602 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)[C@H](C)C1 ZINC001381174602 1348121886 /nfs/dbraw/zinc/12/18/86/1348121886.db2.gz PUHIUWMPBZHERH-HZPDHXFCSA-N 1 3 337.533 2.602 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC001381197067 1348134290 /nfs/dbraw/zinc/13/42/90/1348134290.db2.gz KVKVPWZJTHBZRM-DAYGRLMNSA-N 1 3 337.483 2.957 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001381249351 1348164220 /nfs/dbraw/zinc/16/42/20/1348164220.db2.gz YXJTWERUOACATA-IBGZPJMESA-N 1 3 331.504 2.844 20 0 EFADHO CCCN1CCc2ccccc2[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001381249351 1348164223 /nfs/dbraw/zinc/16/42/23/1348164223.db2.gz YXJTWERUOACATA-IBGZPJMESA-N 1 3 331.504 2.844 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCc1ccccc1 ZINC001381283622 1348185698 /nfs/dbraw/zinc/18/56/98/1348185698.db2.gz LEOWZAXHSYFNGQ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCc1ccccc1 ZINC001381283622 1348185703 /nfs/dbraw/zinc/18/57/03/1348185703.db2.gz LEOWZAXHSYFNGQ-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001381293809 1348193143 /nfs/dbraw/zinc/19/31/43/1348193143.db2.gz JCKPHZSQWLBVRV-SFHVURJKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001381535902 1348338249 /nfs/dbraw/zinc/33/82/49/1348338249.db2.gz UCPZSACXXWNHSI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001381535902 1348338251 /nfs/dbraw/zinc/33/82/51/1348338251.db2.gz UCPZSACXXWNHSI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1ccc(Cl)cc1 ZINC001381571802 1348368770 /nfs/dbraw/zinc/36/87/70/1348368770.db2.gz XCROHXIWHIERTH-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001381622071 1348411359 /nfs/dbraw/zinc/41/13/59/1348411359.db2.gz VFJSUUWVLJURFO-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC001381622607 1348412258 /nfs/dbraw/zinc/41/22/58/1348412258.db2.gz IJUUNJLGGHXEKO-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001381622607 1348412261 /nfs/dbraw/zinc/41/22/61/1348412261.db2.gz IJUUNJLGGHXEKO-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381628405 1348415427 /nfs/dbraw/zinc/41/54/27/1348415427.db2.gz OJWUVGHOKPXJBF-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001381628405 1348415428 /nfs/dbraw/zinc/41/54/28/1348415428.db2.gz OJWUVGHOKPXJBF-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001381635121 1348421364 /nfs/dbraw/zinc/42/13/64/1348421364.db2.gz YCKOHYJXRJOQRE-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001381635121 1348421365 /nfs/dbraw/zinc/42/13/65/1348421365.db2.gz YCKOHYJXRJOQRE-KXBFYZLASA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001381635099 1348421389 /nfs/dbraw/zinc/42/13/89/1348421389.db2.gz YCKOHYJXRJOQRE-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001381635099 1348421390 /nfs/dbraw/zinc/42/13/90/1348421390.db2.gz YCKOHYJXRJOQRE-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1cccc(F)c1 ZINC001381728246 1348482333 /nfs/dbraw/zinc/48/23/33/1348482333.db2.gz VTQBJSXTCZPYHU-SFHVURJKSA-N 1 3 346.450 2.754 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC001381762920 1348511280 /nfs/dbraw/zinc/51/12/80/1348511280.db2.gz GWNHNIWKVWQDTR-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCCN1CCC(F)(F)F ZINC001381762920 1348511281 /nfs/dbraw/zinc/51/12/81/1348511281.db2.gz GWNHNIWKVWQDTR-CQSZACIVSA-N 1 3 337.430 2.641 20 0 EFADHO C[C@@H](NC(=O)C(C)(C)N1CCCCC1)C1C[NH+](CC2CC(C)C2)C1 ZINC001381771455 1348517442 /nfs/dbraw/zinc/51/74/42/1348517442.db2.gz CGNWRSYFESMALH-AQFXKWCLSA-N 1 3 335.536 2.734 20 0 EFADHO CCc1cccc(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001381804725 1348537944 /nfs/dbraw/zinc/53/79/44/1348537944.db2.gz NNMXBEHDIBKYRJ-INIZCTEOSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001381811421 1348543316 /nfs/dbraw/zinc/54/33/16/1348543316.db2.gz ZITQWNWRBCPWIH-LPHOPBHVSA-N 1 3 331.504 2.518 20 0 EFADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001382053286 1348686985 /nfs/dbraw/zinc/68/69/85/1348686985.db2.gz BZFVEUZQYOUVBD-MLGOLLRUSA-N 1 3 341.858 2.510 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001382125260 1348745307 /nfs/dbraw/zinc/74/53/07/1348745307.db2.gz PNDQTGCYJXMFGV-OAHLLOKOSA-N 1 3 337.483 2.740 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001382148313 1348767997 /nfs/dbraw/zinc/76/79/97/1348767997.db2.gz GKWHJKNQUULDJQ-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCc1sccc1Cl)[NH+](C)C ZINC001382155157 1348776297 /nfs/dbraw/zinc/77/62/97/1348776297.db2.gz FMRSHJWXVYOLFD-IUODEOHRSA-N 1 3 345.940 2.924 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001382581033 1349031050 /nfs/dbraw/zinc/03/10/50/1349031050.db2.gz ZJDVPLIYECEVQI-UHFFFAOYSA-N 1 3 343.515 2.867 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C1CC(N[C@H](C)c2ccccc2F)C1 ZINC001382589902 1349037128 /nfs/dbraw/zinc/03/71/28/1349037128.db2.gz PARUHEIRGAABRA-QQFBHYJXSA-N 1 3 335.467 2.808 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(N[C@H](C)c2ccccc2F)C1 ZINC001382589902 1349037131 /nfs/dbraw/zinc/03/71/31/1349037131.db2.gz PARUHEIRGAABRA-QQFBHYJXSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1cccc(CN(C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001394100395 1357470558 /nfs/dbraw/zinc/47/05/58/1357470558.db2.gz GGFUVGZGXBOAIO-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001394112421 1357483916 /nfs/dbraw/zinc/48/39/16/1357483916.db2.gz MSHBFIBROKEWHX-MRXNPFEDSA-N 1 3 349.494 2.803 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)cc1 ZINC001394171334 1357544581 /nfs/dbraw/zinc/54/45/81/1357544581.db2.gz IJZUOYFUSPWGHQ-RBUKOAKNSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001394262499 1357648612 /nfs/dbraw/zinc/64/86/12/1357648612.db2.gz KVNZNSZYKFQCCM-KRWDZBQOSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001394267184 1357651760 /nfs/dbraw/zinc/65/17/60/1357651760.db2.gz POGOIUDMQYJROR-LPHOPBHVSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001388649296 1352890041 /nfs/dbraw/zinc/89/00/41/1352890041.db2.gz RIFVPIITFWTIRH-SFHVURJKSA-N 1 3 331.504 2.678 20 0 EFADHO CCc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001388651970 1352892832 /nfs/dbraw/zinc/89/28/32/1352892832.db2.gz GXCBEMUTNBSTJZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1CN1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001388651970 1352892838 /nfs/dbraw/zinc/89/28/38/1352892838.db2.gz GXCBEMUTNBSTJZ-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001388651983 1352892972 /nfs/dbraw/zinc/89/29/72/1352892972.db2.gz GZABIATWJZQDFC-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001388651983 1352892975 /nfs/dbraw/zinc/89/29/75/1352892975.db2.gz GZABIATWJZQDFC-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CCc1ccccc1CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)N(C)C)C1 ZINC001394270654 1357655187 /nfs/dbraw/zinc/65/51/87/1357655187.db2.gz ZISUDRYSGLKPTJ-UZLBHIALSA-N 1 3 345.531 2.568 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001394271571 1357655220 /nfs/dbraw/zinc/65/52/20/1357655220.db2.gz OQLOMRYZVKLPAY-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001388696753 1352928916 /nfs/dbraw/zinc/92/89/16/1352928916.db2.gz FMPNVUCDZGLLLV-UAGQMJEPSA-N 1 3 337.895 2.665 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001388696741 1352928968 /nfs/dbraw/zinc/92/89/68/1352928968.db2.gz FMPNVUCDZGLLLV-HYVNUMGLSA-N 1 3 337.895 2.665 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001388719007 1352947401 /nfs/dbraw/zinc/94/74/01/1352947401.db2.gz AJOOWTGSVMCROT-GUDVDZBRSA-N 1 3 331.504 2.574 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001388723254 1352951551 /nfs/dbraw/zinc/95/15/51/1352951551.db2.gz BVSKQNOWVVDKFN-SNRMKQJTSA-N 1 3 331.504 2.574 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C/Cl)CC2 ZINC001388765975 1352990710 /nfs/dbraw/zinc/99/07/10/1352990710.db2.gz ZRKVCEQCPLFDDD-DXWDOBMASA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C[C@H]1C)CCN(C/C=C/Cl)CC2 ZINC001388765975 1352990713 /nfs/dbraw/zinc/99/07/13/1352990713.db2.gz ZRKVCEQCPLFDDD-DXWDOBMASA-N 1 3 341.927 2.784 20 0 EFADHO CN(CC(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2)CC(C)(C)C ZINC001389515155 1353444949 /nfs/dbraw/zinc/44/49/49/1353444949.db2.gz CAZCBWBZXIPEHX-KRWDZBQOSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001389684496 1353553442 /nfs/dbraw/zinc/55/34/42/1353553442.db2.gz FSKMIPADBPQWJS-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC2CC(F)(F)C2)C1 ZINC001389752629 1353600503 /nfs/dbraw/zinc/60/05/03/1353600503.db2.gz BZCHTRZVDKWYSJ-OAHLLOKOSA-N 1 3 345.478 2.544 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)CC2CC(F)(F)C2)C1 ZINC001389752629 1353600505 /nfs/dbraw/zinc/60/05/05/1353600505.db2.gz BZCHTRZVDKWYSJ-OAHLLOKOSA-N 1 3 345.478 2.544 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccc(Cl)cc3)C2)CCC1 ZINC001389860140 1353652384 /nfs/dbraw/zinc/65/23/84/1353652384.db2.gz XTPFGPHPTWITFX-QAQDUYKDSA-N 1 3 349.906 2.604 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC001389870484 1353658239 /nfs/dbraw/zinc/65/82/39/1353658239.db2.gz DPLBPLDTXCYSPG-CADBVGFASA-N 1 3 331.504 2.961 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001389880275 1353664433 /nfs/dbraw/zinc/66/44/33/1353664433.db2.gz HEHGQOVDJXOUDW-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001389881986 1353665546 /nfs/dbraw/zinc/66/55/46/1353665546.db2.gz KFUXIPSMIFYHMN-MGPQQGTHSA-N 1 3 348.318 2.805 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001389881986 1353665551 /nfs/dbraw/zinc/66/55/51/1353665551.db2.gz KFUXIPSMIFYHMN-MGPQQGTHSA-N 1 3 348.318 2.805 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001389897994 1353675637 /nfs/dbraw/zinc/67/56/37/1353675637.db2.gz JIXPCYAQJRTEBK-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(C)cc1)C2 ZINC001394347343 1357719700 /nfs/dbraw/zinc/71/97/00/1357719700.db2.gz KJCNHOSSKLCTJR-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(C)cc1)C2 ZINC001394347343 1357719704 /nfs/dbraw/zinc/71/97/04/1357719704.db2.gz KJCNHOSSKLCTJR-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001390163475 1353879923 /nfs/dbraw/zinc/87/99/23/1353879923.db2.gz RBVKXTMPLNGGAS-QZTJIDSGSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccn2)C1 ZINC001390163475 1353879928 /nfs/dbraw/zinc/87/99/28/1353879928.db2.gz RBVKXTMPLNGGAS-QZTJIDSGSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001390483756 1354116910 /nfs/dbraw/zinc/11/69/10/1354116910.db2.gz PWMCVQREVKLBDS-KQPPXVQYSA-N 1 3 331.504 2.772 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001390700754 1354292769 /nfs/dbraw/zinc/29/27/69/1354292769.db2.gz LKBIEORVRGOMPH-RHSMWYFYSA-N 1 3 339.911 2.911 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001390707624 1354298963 /nfs/dbraw/zinc/29/89/63/1354298963.db2.gz WJAIFAXOYZPEOJ-IEBWSBKVSA-N 1 3 333.520 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1Cl)N(C)C ZINC001390712114 1354303219 /nfs/dbraw/zinc/30/32/19/1354303219.db2.gz LKBIEORVRGOMPH-PBHICJAKSA-N 1 3 339.911 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001390719975 1354312301 /nfs/dbraw/zinc/31/23/01/1354312301.db2.gz PHEBSWGHBKWKPK-HNNXBMFYSA-N 1 3 328.460 2.562 20 0 EFADHO CCN(CCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC001390989789 1354646537 /nfs/dbraw/zinc/64/65/37/1354646537.db2.gz KNCKQIAJFDSFGY-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001391011875 1354681894 /nfs/dbraw/zinc/68/18/94/1354681894.db2.gz SUXRLWFNCQYJCL-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001391011875 1354681898 /nfs/dbraw/zinc/68/18/98/1354681898.db2.gz SUXRLWFNCQYJCL-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001391060731 1354748810 /nfs/dbraw/zinc/74/88/10/1354748810.db2.gz JJTGZTZEYHCIKD-LJQANCHMSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC001391083473 1354775326 /nfs/dbraw/zinc/77/53/26/1354775326.db2.gz IBDOOMOUKPAMFS-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC001391083473 1354775331 /nfs/dbraw/zinc/77/53/31/1354775331.db2.gz IBDOOMOUKPAMFS-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093831 1354785852 /nfs/dbraw/zinc/78/58/52/1354785852.db2.gz HYYANLHMTBIQMN-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093831 1354785858 /nfs/dbraw/zinc/78/58/58/1354785858.db2.gz HYYANLHMTBIQMN-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCCc3ccccc3)C2)CCC1 ZINC001391098405 1354791628 /nfs/dbraw/zinc/79/16/28/1354791628.db2.gz PCXKNRNVQHMPNL-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCCc3ccccc3)C2)CCC1 ZINC001391098405 1354791630 /nfs/dbraw/zinc/79/16/30/1354791630.db2.gz PCXKNRNVQHMPNL-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001397647050 1360024162 /nfs/dbraw/zinc/02/41/62/1360024162.db2.gz JKUWEGIHWYEOOK-JFIYKMOQSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001397647046 1360024256 /nfs/dbraw/zinc/02/42/56/1360024256.db2.gz JKUWEGIHWYEOOK-BQFCYCMXSA-N 1 3 329.488 2.716 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001391111701 1354811099 /nfs/dbraw/zinc/81/10/99/1354811099.db2.gz AXQNVKHVDYGBDW-QGZVFWFLSA-N 1 3 347.478 2.640 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001391189197 1354918560 /nfs/dbraw/zinc/91/85/60/1354918560.db2.gz XHUHPEAQYMFJPD-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001391189197 1354918563 /nfs/dbraw/zinc/91/85/63/1354918563.db2.gz XHUHPEAQYMFJPD-IAGOWNOFSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C1CC1)[C@H]1CCc2c1cccc2F)N(C)C ZINC001391201436 1354929980 /nfs/dbraw/zinc/92/99/80/1354929980.db2.gz RLRVYKNEKZAZOT-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C1CC1)[C@H]1CCc2c1cccc2F)N(C)C ZINC001391201436 1354929984 /nfs/dbraw/zinc/92/99/84/1354929984.db2.gz RLRVYKNEKZAZOT-MOPGFXCFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001391204483 1354932660 /nfs/dbraw/zinc/93/26/60/1354932660.db2.gz XBFNVOLRBAXWHM-QGZVFWFLSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001391212162 1354937160 /nfs/dbraw/zinc/93/71/60/1354937160.db2.gz FTCQBTPSRWLVRK-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001391227002 1354948889 /nfs/dbraw/zinc/94/88/89/1354948889.db2.gz PYOBFLRFOIIRLD-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001391227002 1354948893 /nfs/dbraw/zinc/94/88/93/1354948893.db2.gz PYOBFLRFOIIRLD-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001391227980 1354950164 /nfs/dbraw/zinc/95/01/64/1354950164.db2.gz NXPLZZAOTAQHMB-QZTJIDSGSA-N 1 3 335.467 2.591 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001436665778 1387274704 /nfs/dbraw/zinc/27/47/04/1387274704.db2.gz FMODWDUONOCXLL-IBGZPJMESA-N 1 3 349.494 2.789 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](CN(C)C/C=C/Cl)C2)CC1 ZINC001391351269 1355111698 /nfs/dbraw/zinc/11/16/98/1355111698.db2.gz JJQNVLXJAJNYCT-YCOJEUHLSA-N 1 3 341.927 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2C)C1 ZINC001391356351 1355118923 /nfs/dbraw/zinc/11/89/23/1355118923.db2.gz UNVXELSGZLWTDN-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2C)C1 ZINC001391356351 1355118927 /nfs/dbraw/zinc/11/89/27/1355118927.db2.gz UNVXELSGZLWTDN-SFHVURJKSA-N 1 3 331.504 2.617 20 0 EFADHO CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001391358042 1355120652 /nfs/dbraw/zinc/12/06/52/1355120652.db2.gz ONJLOIXYPCFACJ-GOSISDBHSA-N 1 3 331.504 2.942 20 0 EFADHO CCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001391358042 1355120655 /nfs/dbraw/zinc/12/06/55/1355120655.db2.gz ONJLOIXYPCFACJ-GOSISDBHSA-N 1 3 331.504 2.942 20 0 EFADHO CCc1ccccc1CCN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001391400624 1355170885 /nfs/dbraw/zinc/17/08/85/1355170885.db2.gz MIWLCPLCQOJWBP-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+](CC/C=C/c3ccccc3)C2)CCC1 ZINC001391489606 1355240501 /nfs/dbraw/zinc/24/05/01/1355240501.db2.gz HHVHGLAMJGPCFS-IZZDOVSWSA-N 1 3 341.499 2.622 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001391529004 1355278524 /nfs/dbraw/zinc/27/85/24/1355278524.db2.gz UKGIPPHZEHXWOC-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2c(C)cccc2C)C1 ZINC001391529004 1355278530 /nfs/dbraw/zinc/27/85/30/1355278530.db2.gz UKGIPPHZEHXWOC-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)c1ccccc1C ZINC001391540948 1355289246 /nfs/dbraw/zinc/28/92/46/1355289246.db2.gz ZJEAOBGQRNJDIU-SQNIBIBYSA-N 1 3 329.488 2.683 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)c1ccccc1C ZINC001391540948 1355289248 /nfs/dbraw/zinc/28/92/48/1355289248.db2.gz ZJEAOBGQRNJDIU-SQNIBIBYSA-N 1 3 329.488 2.683 20 0 EFADHO Cc1cccc(CN2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001391619012 1355361824 /nfs/dbraw/zinc/36/18/24/1355361824.db2.gz IAVCHIWMHHXUOW-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)cc1C ZINC001391698229 1355444514 /nfs/dbraw/zinc/44/45/14/1355444514.db2.gz TZSRHOKASLOZOH-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001391719774 1355463548 /nfs/dbraw/zinc/46/35/48/1355463548.db2.gz JOYMAVGWFCVYJW-GOEBONIOSA-N 1 3 335.467 2.713 20 0 EFADHO CC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1csc(C)c1 ZINC001391722899 1355466940 /nfs/dbraw/zinc/46/69/40/1355466940.db2.gz OAITZUNBBCVUKV-JKSUJKDBSA-N 1 3 325.522 2.627 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC[NH+](CC3CCCCC3)CC2)CCC1 ZINC001436669269 1387276301 /nfs/dbraw/zinc/27/63/01/1387276301.db2.gz TZLIAANDIOSFJT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001391801320 1355543754 /nfs/dbraw/zinc/54/37/54/1355543754.db2.gz YAKUEWZYOZNMMR-AZUAARDMSA-N 1 3 349.494 2.849 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001391829129 1355572181 /nfs/dbraw/zinc/57/21/81/1355572181.db2.gz AQGNOWWNNPURPB-JUKMJGIZSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001391829129 1355572183 /nfs/dbraw/zinc/57/21/83/1355572183.db2.gz AQGNOWWNNPURPB-JUKMJGIZSA-N 1 3 336.307 2.664 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1 ZINC001391846467 1355590054 /nfs/dbraw/zinc/59/00/54/1355590054.db2.gz HMLSLPZIIBGHSL-UHFFFAOYSA-N 1 3 332.492 2.525 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001436692128 1387281607 /nfs/dbraw/zinc/28/16/07/1387281607.db2.gz FRHFKFDAQXSKTQ-INIZCTEOSA-N 1 3 337.533 2.603 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2cccs2)C1 ZINC001436692128 1387281610 /nfs/dbraw/zinc/28/16/10/1387281610.db2.gz FRHFKFDAQXSKTQ-INIZCTEOSA-N 1 3 337.533 2.603 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001391895287 1355629697 /nfs/dbraw/zinc/62/96/97/1355629697.db2.gz RLWGRNKKSNQFRJ-ZMCCTTKHSA-N 1 3 336.307 2.522 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001391895287 1355629700 /nfs/dbraw/zinc/62/97/00/1355629700.db2.gz RLWGRNKKSNQFRJ-ZMCCTTKHSA-N 1 3 336.307 2.522 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001391919096 1355648308 /nfs/dbraw/zinc/64/83/08/1355648308.db2.gz MCZCXPPKVLETIO-ZDUSSCGKSA-N 1 3 337.533 2.691 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001391922009 1355649512 /nfs/dbraw/zinc/64/95/12/1355649512.db2.gz OPDHPLHSHBCHOR-KUHUBIRLSA-N 1 3 347.478 2.639 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001391940717 1355666556 /nfs/dbraw/zinc/66/65/56/1355666556.db2.gz VQNFUOATOZULBB-QGZVFWFLSA-N 1 3 333.520 2.815 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cccc1Cl)N(C)C ZINC001391948842 1355673119 /nfs/dbraw/zinc/67/31/19/1355673119.db2.gz IZKMLLALVMANED-DYVFJYSZSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001392069377 1355747424 /nfs/dbraw/zinc/74/74/24/1355747424.db2.gz BAQIONREOUJHIR-ZDUSSCGKSA-N 1 3 337.533 2.786 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001392079249 1355753900 /nfs/dbraw/zinc/75/39/00/1355753900.db2.gz WEWVMVBRHBGRPV-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001392079455 1355753929 /nfs/dbraw/zinc/75/39/29/1355753929.db2.gz WEWVMVBRHBGRPV-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001392109752 1355772258 /nfs/dbraw/zinc/77/22/58/1355772258.db2.gz KJIXOOYPLMIJNP-SFHVURJKSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001392122675 1355784448 /nfs/dbraw/zinc/78/44/48/1355784448.db2.gz YJBBXHMUHLZQNP-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H](C)C1 ZINC001392182863 1355836188 /nfs/dbraw/zinc/83/61/88/1355836188.db2.gz QFLDMVBFVFBQSH-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001392187602 1355842335 /nfs/dbraw/zinc/84/23/35/1355842335.db2.gz YWIDZVQSQLLZMP-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC1CC(C[N@H+](C)CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001392196647 1355851704 /nfs/dbraw/zinc/85/17/04/1355851704.db2.gz FWOVLCLMGCIJKP-NKELODKYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)CCC2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001392196647 1355851707 /nfs/dbraw/zinc/85/17/07/1355851707.db2.gz FWOVLCLMGCIJKP-NKELODKYSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCc2ccccc2)C1 ZINC001392198367 1355854592 /nfs/dbraw/zinc/85/45/92/1355854592.db2.gz XYSGAUZUZRVTAD-QUCCMNQESA-N 1 3 345.531 2.788 20 0 EFADHO Cc1ccc(C)c(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001392285345 1355940912 /nfs/dbraw/zinc/94/09/12/1355940912.db2.gz MVUAERIKFDHFGN-IBGZPJMESA-N 1 3 333.520 2.780 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001392291859 1355948197 /nfs/dbraw/zinc/94/81/97/1355948197.db2.gz ZOPAROUYAQCSAU-MSOLQXFVSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2c1cccc2F)N(C)C ZINC001392291859 1355948199 /nfs/dbraw/zinc/94/81/99/1355948199.db2.gz ZOPAROUYAQCSAU-MSOLQXFVSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001392315757 1355975645 /nfs/dbraw/zinc/97/56/45/1355975645.db2.gz UWRVARJTXNUUNQ-ZWKOTPCHSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)N(C)C ZINC001392315757 1355975649 /nfs/dbraw/zinc/97/56/49/1355975649.db2.gz UWRVARJTXNUUNQ-ZWKOTPCHSA-N 1 3 335.467 2.543 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001392359007 1356016413 /nfs/dbraw/zinc/01/64/13/1356016413.db2.gz XAXXVLDEVLPUAJ-AEFFLSMTSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@@H]([NH2+]CCN(CC)C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001392439049 1356039100 /nfs/dbraw/zinc/03/91/00/1356039100.db2.gz IQRRDWQMAVYSDE-QZTJIDSGSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1ccccc1C ZINC001392445394 1356044242 /nfs/dbraw/zinc/04/42/42/1356044242.db2.gz QPEZFYBLBMXSON-CABCVRRESA-N 1 3 328.460 2.815 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)[C@H](C(C)C)N(C)C ZINC001392458374 1356052149 /nfs/dbraw/zinc/05/21/49/1356052149.db2.gz JFABFWJJDPCOQL-MOPGFXCFSA-N 1 3 349.494 2.837 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001392480879 1356064988 /nfs/dbraw/zinc/06/49/88/1356064988.db2.gz QLJYDFPAACDCQD-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1cccc(Cl)c1F)[NH+](C)C ZINC001392526155 1356099263 /nfs/dbraw/zinc/09/92/63/1356099263.db2.gz UALBRPBSIKZAAL-WBMJQRKESA-N 1 3 343.874 2.660 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001392599810 1356150189 /nfs/dbraw/zinc/15/01/89/1356150189.db2.gz PHQWLRGZNNXZLK-GDZNZVCISA-N 1 3 341.446 2.706 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001392610018 1356157377 /nfs/dbraw/zinc/15/73/77/1356157377.db2.gz GTDOPUBEQNVCCX-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392689865 1356241300 /nfs/dbraw/zinc/24/13/00/1356241300.db2.gz RWQRGYCBIISHEX-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001392689865 1356241303 /nfs/dbraw/zinc/24/13/03/1356241303.db2.gz RWQRGYCBIISHEX-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001392766807 1356310640 /nfs/dbraw/zinc/31/06/40/1356310640.db2.gz RZMIOWOHJLMTMC-LIRRHRJNSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1C ZINC001392787014 1356326275 /nfs/dbraw/zinc/32/62/75/1356326275.db2.gz DLWNKGUVUZKIMU-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001392796612 1356334372 /nfs/dbraw/zinc/33/43/72/1356334372.db2.gz XPRWNKNGANGXHW-CVEARBPZSA-N 1 3 345.478 2.637 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2CCN2[C@H]2CCCc3ccccc32)CC1 ZINC001392849349 1356373722 /nfs/dbraw/zinc/37/37/22/1356373722.db2.gz XJHLBJXMVGRYQU-MJGOQNOKSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001392929935 1356440432 /nfs/dbraw/zinc/44/04/32/1356440432.db2.gz NCCJBDGNLDIPMN-UHFFFAOYSA-N 1 3 349.906 2.729 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2C)CC1)N(C)C ZINC001392949851 1356458817 /nfs/dbraw/zinc/45/88/17/1356458817.db2.gz NUODFMMRWGCMPD-MRXNPFEDSA-N 1 3 337.895 2.727 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2)C[C@@H]1C ZINC001393035029 1356526526 /nfs/dbraw/zinc/52/65/26/1356526526.db2.gz JNJRUEDYGKJELE-YJBOKZPZSA-N 1 3 335.467 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C[C@H]1C ZINC001393044471 1356534349 /nfs/dbraw/zinc/53/43/49/1356534349.db2.gz ZNYKTJTVFINYQW-MJGOQNOKSA-N 1 3 331.504 2.540 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001393061992 1356548470 /nfs/dbraw/zinc/54/84/70/1356548470.db2.gz MGHJULBWFBYFQP-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO CN(CC(=O)NCC1(C)CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC001393177265 1356682364 /nfs/dbraw/zinc/68/23/64/1356682364.db2.gz WCAYRIQCBZVKIF-UHFFFAOYSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(C)CCN(C/C=C\Cl)CC1)[NH+](C)C ZINC001402201230 1363510938 /nfs/dbraw/zinc/51/09/38/1363510938.db2.gz OAVGVGFLIZNUKM-WUKHSURWSA-N 1 3 329.916 2.543 20 0 EFADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCN1C(C)C ZINC001393404595 1356823183 /nfs/dbraw/zinc/82/31/83/1356823183.db2.gz AWSMHZIPXAPDBA-LJQANCHMSA-N 1 3 331.504 2.886 20 0 EFADHO CN(CCC[N@H+](C)CCCc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001393612117 1357000632 /nfs/dbraw/zinc/00/06/32/1357000632.db2.gz DTJJOHILIYAUIE-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CN(CCC[N@@H+](C)CCCc1ccsc1)C(=O)[C@H]1CCCN1C ZINC001393612117 1357000637 /nfs/dbraw/zinc/00/06/37/1357000637.db2.gz DTJJOHILIYAUIE-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001393611598 1357000847 /nfs/dbraw/zinc/00/08/47/1357000847.db2.gz CFFKVWZEGGPCKT-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001393611598 1357000852 /nfs/dbraw/zinc/00/08/52/1357000852.db2.gz CFFKVWZEGGPCKT-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001393630869 1357024060 /nfs/dbraw/zinc/02/40/60/1357024060.db2.gz CYPZAYACRBFKIW-INIZCTEOSA-N 1 3 328.460 2.802 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH]cn1 ZINC001393630869 1357024064 /nfs/dbraw/zinc/02/40/64/1357024064.db2.gz CYPZAYACRBFKIW-INIZCTEOSA-N 1 3 328.460 2.802 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001394443945 1357824035 /nfs/dbraw/zinc/82/40/35/1357824035.db2.gz BFCDRAGSEAFHNK-RBUKOAKNSA-N 1 3 340.471 2.930 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001394443943 1357824118 /nfs/dbraw/zinc/82/41/18/1357824118.db2.gz BFCDRAGSEAFHNK-OALUTQOASA-N 1 3 340.471 2.930 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001394488413 1357870360 /nfs/dbraw/zinc/87/03/60/1357870360.db2.gz KVRMMMDYBJPJQN-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001394497180 1357879059 /nfs/dbraw/zinc/87/90/59/1357879059.db2.gz NZBFZHJCZDCPJN-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1cc2ccccc2o1 ZINC001394518793 1357902243 /nfs/dbraw/zinc/90/22/43/1357902243.db2.gz DJPOJDAZUXPEEV-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001394531436 1357916810 /nfs/dbraw/zinc/91/68/10/1357916810.db2.gz WKAJNZUHTGAHOY-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001394531914 1357916979 /nfs/dbraw/zinc/91/69/79/1357916979.db2.gz WXUKCZJEVSILJP-KRWDZBQOSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001394563489 1357957473 /nfs/dbraw/zinc/95/74/73/1357957473.db2.gz BLCZJGZTPVRQNM-ZDUSSCGKSA-N 1 3 345.409 2.751 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C ZINC001394668604 1357985932 /nfs/dbraw/zinc/98/59/32/1357985932.db2.gz JAFSEVQXQPTFRC-NVXWUHKLSA-N 1 3 325.541 2.980 20 0 EFADHO C[C@H]1C[C@@H](NCc2cc3ccccc3o2)CN1C(=O)CCC[NH+](C)C ZINC001394666395 1357985009 /nfs/dbraw/zinc/98/50/09/1357985009.db2.gz GODINIJSYLHTSX-DOTOQJQBSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394674990 1357992253 /nfs/dbraw/zinc/99/22/53/1357992253.db2.gz WHPRCMQVRIWVKD-WMZOPIPTSA-N 1 3 331.504 2.744 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001436844007 1387333138 /nfs/dbraw/zinc/33/31/38/1387333138.db2.gz FRQHORKXJBMKEC-CXOKCQFOSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@H](CN(C)C/C=C\Cl)C1 ZINC001436844007 1387333148 /nfs/dbraw/zinc/33/31/48/1387333148.db2.gz FRQHORKXJBMKEC-CXOKCQFOSA-N 1 3 329.916 2.641 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1)c1ccccc1 ZINC001397054484 1359639152 /nfs/dbraw/zinc/63/91/52/1359639152.db2.gz BPQXHNNARSSFQS-QXCFHYIPSA-N 1 3 331.504 2.962 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)c1 ZINC001397081140 1359659514 /nfs/dbraw/zinc/65/95/14/1359659514.db2.gz NVKJDVPVUXVDQM-KDURUIRLSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)N(C)C ZINC001397600792 1359993679 /nfs/dbraw/zinc/99/36/79/1359993679.db2.gz BZGSKRCNAMUYNM-RNIPGJKVSA-N 1 3 331.504 2.818 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001397602612 1359994840 /nfs/dbraw/zinc/99/48/40/1359994840.db2.gz FCHHNJISINZNOE-CEXWTWQISA-N 1 3 331.504 2.566 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001397618657 1360006717 /nfs/dbraw/zinc/00/67/17/1360006717.db2.gz BVSKQNOWVVDKFN-IPELMVKDSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC001397618200 1360006843 /nfs/dbraw/zinc/00/68/43/1360006843.db2.gz BMHHCLSRFUQRQJ-QBIMZIAESA-N 1 3 349.544 2.691 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001397636355 1360018721 /nfs/dbraw/zinc/01/87/21/1360018721.db2.gz UBBZLYGQZLSIOA-LSTDLKDCSA-N 1 3 329.488 2.574 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001397638324 1360019625 /nfs/dbraw/zinc/01/96/25/1360019625.db2.gz XPSYNZNEHSQLPZ-OLMMMNRUSA-N 1 3 347.478 2.713 20 0 EFADHO CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001398201020 1360374952 /nfs/dbraw/zinc/37/49/52/1360374952.db2.gz MRLRUUBOWDHXIC-SFHVURJKSA-N 1 3 325.541 2.932 20 0 EFADHO C[C@H](NCCF)[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001398203316 1360377064 /nfs/dbraw/zinc/37/70/64/1360377064.db2.gz JACWZZCMJOWZSM-LPHOPBHVSA-N 1 3 349.494 2.733 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)N(C)C ZINC001398253460 1360421619 /nfs/dbraw/zinc/42/16/19/1360421619.db2.gz TZRMWYNOSRAALQ-PMACEKPBSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)N(C)C ZINC001398253460 1360421622 /nfs/dbraw/zinc/42/16/22/1360421622.db2.gz TZRMWYNOSRAALQ-PMACEKPBSA-N 1 3 345.531 2.786 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001398528905 1360626896 /nfs/dbraw/zinc/62/68/96/1360626896.db2.gz FCSMGILXMGTUDR-SFHVURJKSA-N 1 3 346.519 2.546 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(C(C)C)nc2C)C1 ZINC001398528905 1360626902 /nfs/dbraw/zinc/62/69/02/1360626902.db2.gz FCSMGILXMGTUDR-SFHVURJKSA-N 1 3 346.519 2.546 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001398537309 1360632885 /nfs/dbraw/zinc/63/28/85/1360632885.db2.gz MWWSKAPKQCOERS-MGPQQGTHSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001398537309 1360632887 /nfs/dbraw/zinc/63/28/87/1360632887.db2.gz MWWSKAPKQCOERS-MGPQQGTHSA-N 1 3 348.318 2.663 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1)c1ccccc1F ZINC001398587216 1360659361 /nfs/dbraw/zinc/65/93/61/1360659361.db2.gz YJRMUTFMAHFIAO-BRWVUGGUSA-N 1 3 347.478 3.000 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001398665890 1360697252 /nfs/dbraw/zinc/69/72/52/1360697252.db2.gz GCZUUYBTKKTDQV-MRXNPFEDSA-N 1 3 337.533 2.727 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC001398665890 1360697254 /nfs/dbraw/zinc/69/72/54/1360697254.db2.gz GCZUUYBTKKTDQV-MRXNPFEDSA-N 1 3 337.533 2.727 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001398953704 1360892425 /nfs/dbraw/zinc/89/24/25/1360892425.db2.gz QDDOZASVRZCZLS-DRDHIDPGSA-N 1 3 349.906 2.932 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001398953716 1360892838 /nfs/dbraw/zinc/89/28/38/1360892838.db2.gz QDDOZASVRZCZLS-ZDTYVGOBSA-N 1 3 349.906 2.932 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001399088865 1360985051 /nfs/dbraw/zinc/98/50/51/1360985051.db2.gz FSZADNULGNKBAD-XJKSGUPXSA-N 1 3 325.884 2.521 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001399125951 1361013810 /nfs/dbraw/zinc/01/38/10/1361013810.db2.gz VDEQLQUTHQJQHN-NHYWBVRUSA-N 1 3 346.302 2.928 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC=C(Cl)Cl)C1)C1CCC1 ZINC001399253300 1361100885 /nfs/dbraw/zinc/10/08/85/1361100885.db2.gz FFBQHMBAUDMFLG-QWHCGFSZSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001399293741 1361135229 /nfs/dbraw/zinc/13/52/29/1361135229.db2.gz ZQGUSOUOGOWNTB-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001399293741 1361135230 /nfs/dbraw/zinc/13/52/30/1361135230.db2.gz ZQGUSOUOGOWNTB-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001399422215 1361212530 /nfs/dbraw/zinc/21/25/30/1361212530.db2.gz WRVCXPQSCWASIJ-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001399478638 1361261281 /nfs/dbraw/zinc/26/12/81/1361261281.db2.gz FCHDEBJAHPAWFN-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1cccc(F)c1 ZINC001399478638 1361261283 /nfs/dbraw/zinc/26/12/83/1361261283.db2.gz FCHDEBJAHPAWFN-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2)C1 ZINC001399554192 1361328244 /nfs/dbraw/zinc/32/82/44/1361328244.db2.gz KNLKAXULPJITSH-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(C)cc2)C1 ZINC001399554192 1361328246 /nfs/dbraw/zinc/32/82/46/1361328246.db2.gz KNLKAXULPJITSH-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1cccc(F)c1 ZINC001399712394 1361446632 /nfs/dbraw/zinc/44/66/32/1361446632.db2.gz MSCYMIBJNMMHQR-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1cccc(F)c1 ZINC001399712394 1361446634 /nfs/dbraw/zinc/44/66/34/1361446634.db2.gz MSCYMIBJNMMHQR-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cccc(Cl)c1 ZINC001399747391 1361475280 /nfs/dbraw/zinc/47/52/80/1361475280.db2.gz BNEURUZAXSRXAR-QGZVFWFLSA-N 1 3 339.911 2.864 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCC(C)(C)CC1 ZINC001399777258 1361492537 /nfs/dbraw/zinc/49/25/37/1361492537.db2.gz ZQCZBZLZKXZIOF-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)CC1CCC(C)(C)CC1 ZINC001399777258 1361492540 /nfs/dbraw/zinc/49/25/40/1361492540.db2.gz ZQCZBZLZKXZIOF-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399901538 1361563174 /nfs/dbraw/zinc/56/31/74/1361563174.db2.gz KWOCMOASUUEOFA-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399901538 1361563176 /nfs/dbraw/zinc/56/31/76/1361563176.db2.gz KWOCMOASUUEOFA-MOPGFXCFSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001399915000 1361572881 /nfs/dbraw/zinc/57/28/81/1361572881.db2.gz OPOKJIOOSXSMOT-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001399915000 1361572886 /nfs/dbraw/zinc/57/28/86/1361572886.db2.gz OPOKJIOOSXSMOT-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001399916668 1361574833 /nfs/dbraw/zinc/57/48/33/1361574833.db2.gz QVECGDHAAODMFR-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001399916668 1361574836 /nfs/dbraw/zinc/57/48/36/1361574836.db2.gz QVECGDHAAODMFR-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001399927171 1361583032 /nfs/dbraw/zinc/58/30/32/1361583032.db2.gz DGAFKGLEUPUXEY-OALUTQOASA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001399927171 1361583035 /nfs/dbraw/zinc/58/30/35/1361583035.db2.gz DGAFKGLEUPUXEY-OALUTQOASA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001399959664 1361613367 /nfs/dbraw/zinc/61/33/67/1361613367.db2.gz YXCJOIQQOKWTRK-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001399959664 1361613372 /nfs/dbraw/zinc/61/33/72/1361613372.db2.gz YXCJOIQQOKWTRK-RTBURBONSA-N 1 3 331.504 2.519 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1 ZINC001399959562 1361613728 /nfs/dbraw/zinc/61/37/28/1361613728.db2.gz YFYKVGPMVBFJDA-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC001399959562 1361613731 /nfs/dbraw/zinc/61/37/31/1361613731.db2.gz YFYKVGPMVBFJDA-SFHVURJKSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC001400062724 1361707389 /nfs/dbraw/zinc/70/73/89/1361707389.db2.gz WYJIPACFCIXTQO-GOSISDBHSA-N 1 3 335.467 2.809 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001400082316 1361721376 /nfs/dbraw/zinc/72/13/76/1361721376.db2.gz ISLAMIRCKSCFBT-CRAIPNDOSA-N 1 3 335.467 2.809 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC001400082319 1361721598 /nfs/dbraw/zinc/72/15/98/1361721598.db2.gz ISLAMIRCKSCFBT-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2sccc2Cl)C1 ZINC001437309505 1387533950 /nfs/dbraw/zinc/53/39/50/1387533950.db2.gz BVHUBYHBMOVJHB-ZDUSSCGKSA-N 1 3 343.924 2.681 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001400152969 1361789797 /nfs/dbraw/zinc/78/97/97/1361789797.db2.gz DEFGXBDYMANCNH-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001400152969 1361789800 /nfs/dbraw/zinc/78/98/00/1361789800.db2.gz DEFGXBDYMANCNH-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001400187212 1361828475 /nfs/dbraw/zinc/82/84/75/1361828475.db2.gz UILPGTCYAJOCGZ-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001400187212 1361828479 /nfs/dbraw/zinc/82/84/79/1361828479.db2.gz UILPGTCYAJOCGZ-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO C[N@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400247564 1361883075 /nfs/dbraw/zinc/88/30/75/1361883075.db2.gz OSKPFZUZRUZFQH-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CCC1CCCC1)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001400247564 1361883078 /nfs/dbraw/zinc/88/30/78/1361883078.db2.gz OSKPFZUZRUZFQH-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001437327692 1387547339 /nfs/dbraw/zinc/54/73/39/1387547339.db2.gz KMVBXGFVTNUJKS-HVDISPMTSA-N 1 3 336.307 2.664 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001437327692 1387547342 /nfs/dbraw/zinc/54/73/42/1387547342.db2.gz KMVBXGFVTNUJKS-HVDISPMTSA-N 1 3 336.307 2.664 20 0 EFADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2cccc3ccccc32)C1 ZINC001400543512 1362018730 /nfs/dbraw/zinc/01/87/30/1362018730.db2.gz KGXQSNYPLMUKJH-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c(C)s1 ZINC001400642582 1362066960 /nfs/dbraw/zinc/06/69/60/1362066960.db2.gz BPERQHWCGTWATI-SFHVURJKSA-N 1 3 349.544 2.931 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001400688775 1362096519 /nfs/dbraw/zinc/09/65/19/1362096519.db2.gz DZIIEUICTRQQGB-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001400688775 1362096521 /nfs/dbraw/zinc/09/65/21/1362096521.db2.gz DZIIEUICTRQQGB-IEBWSBKVSA-N 1 3 331.504 2.580 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@@H]1CCN(CCc2ccccc2F)C1 ZINC001400737802 1362130629 /nfs/dbraw/zinc/13/06/29/1362130629.db2.gz IRUGULIRTKWPMV-GOSISDBHSA-N 1 3 349.494 2.633 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001437330365 1387552244 /nfs/dbraw/zinc/55/22/44/1387552244.db2.gz LNTIIFIKJDTGRJ-OALUTQOASA-N 1 3 343.515 2.996 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001400808079 1362176002 /nfs/dbraw/zinc/17/60/02/1362176002.db2.gz CWKYUMUAWHRHGZ-PBHICJAKSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001437334194 1387556342 /nfs/dbraw/zinc/55/63/42/1387556342.db2.gz QWODQTDVWSHWEP-ZWKOTPCHSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001400851018 1362210297 /nfs/dbraw/zinc/21/02/97/1362210297.db2.gz KXYJJNTVOYRUCJ-QGZVFWFLSA-N 1 3 343.471 2.759 20 0 EFADHO CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001400909780 1362248889 /nfs/dbraw/zinc/24/88/89/1362248889.db2.gz VEOVISMTLSEDJU-DLBZAZTESA-N 1 3 328.460 2.896 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]Cc3ccccc3)CCCC2)C1 ZINC001400960379 1362299471 /nfs/dbraw/zinc/29/94/71/1362299471.db2.gz WQTUENBJOSBXNM-KRWDZBQOSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]Cc3ccccc3)CCCC2)C1 ZINC001400960382 1362299488 /nfs/dbraw/zinc/29/94/88/1362299488.db2.gz WQTUENBJOSBXNM-QGZVFWFLSA-N 1 3 329.488 2.547 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001401051586 1362396019 /nfs/dbraw/zinc/39/60/19/1362396019.db2.gz LSXRGXQBZZIVHV-BZSNNMDCSA-N 1 3 335.467 2.683 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001401058644 1362401483 /nfs/dbraw/zinc/40/14/83/1362401483.db2.gz XULTWBDTZWQQGP-VAMGGRTRSA-N 1 3 345.531 2.895 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401074723 1362416450 /nfs/dbraw/zinc/41/64/50/1362416450.db2.gz MCLPQXLLSMSQNK-ASRSSLEJSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401074723 1362416453 /nfs/dbraw/zinc/41/64/53/1362416453.db2.gz MCLPQXLLSMSQNK-ASRSSLEJSA-N 1 3 341.927 2.830 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F)N(C)C ZINC001401113377 1362450916 /nfs/dbraw/zinc/45/09/16/1362450916.db2.gz ATKCITGVALPQJH-BLLLJJGKSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1ccccc1F ZINC001401132990 1362469723 /nfs/dbraw/zinc/46/97/23/1362469723.db2.gz UQBBDTVOPLTHNF-HNNXBMFYSA-N 1 3 337.483 2.646 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001401222215 1362561195 /nfs/dbraw/zinc/56/11/95/1362561195.db2.gz SFZYMIWSYOLXLP-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C(=O)Cc1c[nH]cn1 ZINC001401240532 1362578978 /nfs/dbraw/zinc/57/89/78/1362578978.db2.gz HOBWRRMQNGBFAS-HUUCEWRRSA-N 1 3 340.471 2.639 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001401251663 1362591110 /nfs/dbraw/zinc/59/11/10/1362591110.db2.gz JAGWVJZACLDLNB-CJNGLKHVSA-N 1 3 325.884 2.617 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001401299074 1362645313 /nfs/dbraw/zinc/64/53/13/1362645313.db2.gz RENGVUMCWJPQMC-KBUFDJFCSA-N 1 3 343.943 2.934 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1cc(C)ccc1C)C(C)C)N(C)C ZINC001401340871 1362688268 /nfs/dbraw/zinc/68/82/68/1362688268.db2.gz GFPVMXXAEADRSN-MOPGFXCFSA-N 1 3 333.520 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC001401344124 1362691977 /nfs/dbraw/zinc/69/19/77/1362691977.db2.gz SONIEOYGBFLQKZ-LJQANCHMSA-N 1 3 342.487 2.808 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001401434139 1362801060 /nfs/dbraw/zinc/80/10/60/1362801060.db2.gz TWPLUCABKFRLLL-RBUKOAKNSA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H]1CCCc2ccccc21)N(C)C ZINC001401434139 1362801065 /nfs/dbraw/zinc/80/10/65/1362801065.db2.gz TWPLUCABKFRLLL-RBUKOAKNSA-N 1 3 331.504 2.794 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001401484599 1362876671 /nfs/dbraw/zinc/87/66/71/1362876671.db2.gz GZZOJZXYAMCHGK-VQIMIIECSA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001401650838 1363000171 /nfs/dbraw/zinc/00/01/71/1363000171.db2.gz HHKMNDTXHPUCRY-DOMZBBRYSA-N 1 3 327.419 2.559 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401749207 1363082589 /nfs/dbraw/zinc/08/25/89/1363082589.db2.gz FVSVXEUWGDHCNR-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001401749207 1363082596 /nfs/dbraw/zinc/08/25/96/1363082596.db2.gz FVSVXEUWGDHCNR-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001401781386 1363121542 /nfs/dbraw/zinc/12/15/42/1363121542.db2.gz MFQHTEWCOVORNM-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccccc1C1CC1)NC(=O)CN(C)C1CCC1 ZINC001401781386 1363121544 /nfs/dbraw/zinc/12/15/44/1363121544.db2.gz MFQHTEWCOVORNM-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](C[N@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785094 1363126773 /nfs/dbraw/zinc/12/67/73/1363126773.db2.gz RDATUVABIQQDPD-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@H](C[N@@H+](C)[C@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001401785094 1363126777 /nfs/dbraw/zinc/12/67/77/1363126777.db2.gz RDATUVABIQQDPD-KUHUBIRLSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001401787831 1363129946 /nfs/dbraw/zinc/12/99/46/1363129946.db2.gz ZNDCQNXIQPFWGF-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1F ZINC001401787829 1363130190 /nfs/dbraw/zinc/13/01/90/1363130190.db2.gz ZNDCQNXIQPFWGF-CRAIPNDOSA-N 1 3 337.483 2.657 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001401792562 1363136463 /nfs/dbraw/zinc/13/64/63/1363136463.db2.gz CHJMJNHVPFKJOC-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001401792562 1363136465 /nfs/dbraw/zinc/13/64/65/1363136465.db2.gz CHJMJNHVPFKJOC-KSSFIOAISA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401792720 1363137278 /nfs/dbraw/zinc/13/72/78/1363137278.db2.gz DRNQQCCWBUOCIU-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401792720 1363137282 /nfs/dbraw/zinc/13/72/82/1363137282.db2.gz DRNQQCCWBUOCIU-PKOBYXMFSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401792718 1363137473 /nfs/dbraw/zinc/13/74/73/1363137473.db2.gz DRNQQCCWBUOCIU-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001401792718 1363137476 /nfs/dbraw/zinc/13/74/76/1363137476.db2.gz DRNQQCCWBUOCIU-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001401798885 1363145269 /nfs/dbraw/zinc/14/52/69/1363145269.db2.gz OXGXGRFEPQAMOX-MJGOQNOKSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001401798885 1363145272 /nfs/dbraw/zinc/14/52/72/1363145272.db2.gz OXGXGRFEPQAMOX-MJGOQNOKSA-N 1 3 333.520 2.560 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C\c2ccc(Cl)cc2)CC1)N(C)C ZINC001401978289 1363294401 /nfs/dbraw/zinc/29/44/01/1363294401.db2.gz WJCBWDDIGJTKDI-OSJSJHBBSA-N 1 3 349.906 2.932 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccc(Cl)cc2)CC1)N(C)C ZINC001401978294 1363294511 /nfs/dbraw/zinc/29/45/11/1363294511.db2.gz WJCBWDDIGJTKDI-RTRPANQVSA-N 1 3 349.906 2.932 20 0 EFADHO CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001402004930 1363323287 /nfs/dbraw/zinc/32/32/87/1363323287.db2.gz QBNKNAFOTHVIJQ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001402004930 1363323290 /nfs/dbraw/zinc/32/32/90/1363323290.db2.gz QBNKNAFOTHVIJQ-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N(C)C1CC[NH+](CCCC2CCC2)CC1)C1CCC1 ZINC001402035121 1363346281 /nfs/dbraw/zinc/34/62/81/1363346281.db2.gz CKIFZIJPOSDPGY-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001402049435 1363358927 /nfs/dbraw/zinc/35/89/27/1363358927.db2.gz YYHWQOQSBFBHSK-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)CCN1C(=O)CN(C)C1CCC1 ZINC001402055246 1363363168 /nfs/dbraw/zinc/36/31/68/1363363168.db2.gz GSYNMOSQLMRTOZ-OLZOCXBDSA-N 1 3 348.318 2.759 20 0 EFADHO CN(CC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC001402076863 1363380631 /nfs/dbraw/zinc/38/06/31/1363380631.db2.gz PPAACLIWGVNQGA-UHFFFAOYSA-N 1 3 329.488 2.642 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001402085722 1363389356 /nfs/dbraw/zinc/38/93/56/1363389356.db2.gz JSAHKBKYILCQBD-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](C[C@H](C)CC(C)C)CC1)N(C)C ZINC001402087331 1363390921 /nfs/dbraw/zinc/39/09/21/1363390921.db2.gz FCXMWNBLWGYUBA-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001402087328 1363391496 /nfs/dbraw/zinc/39/14/96/1363391496.db2.gz FCXMWNBLWGYUBA-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@](C)(C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001402156073 1363464725 /nfs/dbraw/zinc/46/47/25/1363464725.db2.gz IAFKUZVJUWRCGT-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001402196017 1363503268 /nfs/dbraw/zinc/50/32/68/1363503268.db2.gz NUDICQXWESLLQK-FQEVSTJZSA-N 1 3 331.504 2.846 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC001402199865 1363508470 /nfs/dbraw/zinc/50/84/70/1363508470.db2.gz DKPWUHPZJNQTCI-NRFANRHFSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC001402199865 1363508473 /nfs/dbraw/zinc/50/84/73/1363508473.db2.gz DKPWUHPZJNQTCI-NRFANRHFSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(C)c(C[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001402234750 1363555877 /nfs/dbraw/zinc/55/58/77/1363555877.db2.gz QXJHIYHSFKHXAC-QUCCMNQESA-N 1 3 345.531 2.889 20 0 EFADHO Cc1cc(C)c(C[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001402234750 1363555880 /nfs/dbraw/zinc/55/58/80/1363555880.db2.gz QXJHIYHSFKHXAC-QUCCMNQESA-N 1 3 345.531 2.889 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001402311790 1363599832 /nfs/dbraw/zinc/59/98/32/1363599832.db2.gz IWAHVHUSQWBPEU-UXHICEINSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC(F)(F)CC1)C1CC1)N(C)C ZINC001402326226 1363606788 /nfs/dbraw/zinc/60/67/88/1363606788.db2.gz NGULHPCAIUTXEW-HOTGVXAUSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001402337897 1363613619 /nfs/dbraw/zinc/61/36/19/1363613619.db2.gz IWAHVHUSQWBPEU-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C1CC1)N(C)C ZINC001402349051 1363620131 /nfs/dbraw/zinc/62/01/31/1363620131.db2.gz AACGCYGJUZBYJQ-PMACEKPBSA-N 1 3 345.531 2.936 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001402411663 1363671473 /nfs/dbraw/zinc/67/14/73/1363671473.db2.gz QCYUDFCVCQJFOZ-WDSOQIARSA-N 1 3 335.536 2.641 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCC3)CC2)C1 ZINC001402411653 1363671788 /nfs/dbraw/zinc/67/17/88/1363671788.db2.gz QCYUDFCVCQJFOZ-BHIYHBOVSA-N 1 3 335.536 2.641 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCc2ccc(C)cc2)C1 ZINC001402430950 1363688729 /nfs/dbraw/zinc/68/87/29/1363688729.db2.gz PFMWJVNSFVNIFZ-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF)CC(C)(C)C ZINC001402440023 1363694499 /nfs/dbraw/zinc/69/44/99/1363694499.db2.gz NTCXQFAIZZFLIE-BJWYYQGGSA-N 1 3 341.515 2.683 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)CC(C)(C)C ZINC001402440023 1363694501 /nfs/dbraw/zinc/69/45/01/1363694501.db2.gz NTCXQFAIZZFLIE-BJWYYQGGSA-N 1 3 341.515 2.683 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001402511848 1363751925 /nfs/dbraw/zinc/75/19/25/1363751925.db2.gz KEMYOAGNTOSFMM-BRWVUGGUSA-N 1 3 337.895 2.725 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC001402520785 1363757389 /nfs/dbraw/zinc/75/73/89/1363757389.db2.gz ZOPXRPKDVBZHRC-ZHALLVOQSA-N 1 3 331.504 2.887 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001402534785 1363767602 /nfs/dbraw/zinc/76/76/02/1363767602.db2.gz IOIIKIDOCSBHHQ-WKILWMFISA-N 1 3 337.895 2.809 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001402534785 1363767604 /nfs/dbraw/zinc/76/76/04/1363767604.db2.gz IOIIKIDOCSBHHQ-WKILWMFISA-N 1 3 337.895 2.809 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001402555977 1363785491 /nfs/dbraw/zinc/78/54/91/1363785491.db2.gz ZCWASKHZYGYRTO-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001402555977 1363785495 /nfs/dbraw/zinc/78/54/95/1363785495.db2.gz ZCWASKHZYGYRTO-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCc1ccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCC2)cc1 ZINC001402559222 1363788115 /nfs/dbraw/zinc/78/81/15/1363788115.db2.gz MUMLIORZHFFQTE-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO O=C(NCC1(NCc2ccccc2F)CCC1)C12CCC[NH+]1CCC2 ZINC001402564781 1363792481 /nfs/dbraw/zinc/79/24/81/1363792481.db2.gz UFZWPQSTRSUTFD-UHFFFAOYSA-N 1 3 345.462 2.583 20 0 EFADHO C[C@H](C(=O)NCC1([NH2+]C/C=C\Cl)CCC1)N1CCCCCC1 ZINC001402569771 1363797055 /nfs/dbraw/zinc/79/70/55/1363797055.db2.gz CZRDGBSIPYNJFG-YYRKOSNBSA-N 1 3 327.900 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001402616290 1363838397 /nfs/dbraw/zinc/83/83/97/1363838397.db2.gz QJTOAQVPFTYNSA-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccccc2F)CC1 ZINC001402616290 1363838401 /nfs/dbraw/zinc/83/84/01/1363838401.db2.gz QJTOAQVPFTYNSA-KRWDZBQOSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001402648609 1363884415 /nfs/dbraw/zinc/88/44/15/1363884415.db2.gz JWIODOZOKBBTSA-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001402648609 1363884420 /nfs/dbraw/zinc/88/44/20/1363884420.db2.gz JWIODOZOKBBTSA-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCc3cccs3)C2)CCC1 ZINC001402667790 1363913814 /nfs/dbraw/zinc/91/38/14/1363913814.db2.gz QFQRIQZPFXAILL-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCc3cccs3)C2)CCC1 ZINC001402667790 1363913816 /nfs/dbraw/zinc/91/38/16/1363913816.db2.gz QFQRIQZPFXAILL-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(CC)c2)C1 ZINC001402691196 1363940390 /nfs/dbraw/zinc/94/03/90/1363940390.db2.gz MHCVBYPVLUERSW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(CC)c2)C1 ZINC001402691196 1363940395 /nfs/dbraw/zinc/94/03/95/1363940395.db2.gz MHCVBYPVLUERSW-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001402701953 1363948646 /nfs/dbraw/zinc/94/86/46/1363948646.db2.gz STJBKEPULUGXNZ-IBGZPJMESA-N 1 3 345.531 2.973 20 0 EFADHO CC(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001402717535 1363963770 /nfs/dbraw/zinc/96/37/70/1363963770.db2.gz HUOMPLRQVNRCAN-WOJBJXKFSA-N 1 3 345.531 2.772 20 0 EFADHO CC(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001402717535 1363963774 /nfs/dbraw/zinc/96/37/74/1363963774.db2.gz HUOMPLRQVNRCAN-WOJBJXKFSA-N 1 3 345.531 2.772 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001402744553 1363990137 /nfs/dbraw/zinc/99/01/37/1363990137.db2.gz VZNXCQUXYCYKSM-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001402744553 1363990141 /nfs/dbraw/zinc/99/01/41/1363990141.db2.gz VZNXCQUXYCYKSM-LJQANCHMSA-N 1 3 349.494 2.969 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccccc1F)N(C)C ZINC001402824634 1364072019 /nfs/dbraw/zinc/07/20/19/1364072019.db2.gz VDJNHUPLYJRCFZ-DAYGRLMNSA-N 1 3 337.483 2.957 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]CC2CC(F)(F)C2)CC1)N(C)C ZINC001402826625 1364073508 /nfs/dbraw/zinc/07/35/08/1364073508.db2.gz KVEAECYKZANXDW-UYSNPLJNSA-N 1 3 345.478 2.635 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001402840352 1364083136 /nfs/dbraw/zinc/08/31/36/1364083136.db2.gz IPRHXGWJRPMCOP-HNNXBMFYSA-N 1 3 337.483 2.788 20 0 EFADHO COc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)cc1 ZINC001402917149 1364133302 /nfs/dbraw/zinc/13/33/02/1364133302.db2.gz ICFDLLHIWSQBFK-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO COc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001402917141 1364133593 /nfs/dbraw/zinc/13/35/93/1364133593.db2.gz ICFDLLHIWSQBFK-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1cncc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001403077317 1364280964 /nfs/dbraw/zinc/28/09/64/1364280964.db2.gz HKMXJPMOXYAJMD-GOSISDBHSA-N 1 3 348.535 2.550 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC001403087703 1364292470 /nfs/dbraw/zinc/29/24/70/1364292470.db2.gz KWZZUPOIRCSCTD-SFHVURJKSA-N 1 3 346.519 2.529 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC001403097821 1364303932 /nfs/dbraw/zinc/30/39/32/1364303932.db2.gz HMFHVIWSLURCJL-STQMWFEESA-N 1 3 343.874 2.976 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)CC[C@@H]2CCc3ccccc32)CCC1 ZINC001437473716 1387675564 /nfs/dbraw/zinc/67/55/64/1387675564.db2.gz WVKWAJDQOIBOHR-SFHVURJKSA-N 1 3 343.515 2.639 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC[C@@H]2CCc3ccccc32)CCC1 ZINC001437473716 1387675570 /nfs/dbraw/zinc/67/55/70/1387675570.db2.gz WVKWAJDQOIBOHR-SFHVURJKSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403183869 1364408773 /nfs/dbraw/zinc/40/87/73/1364408773.db2.gz BGCBDIQGVFWFSS-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001403183869 1364408775 /nfs/dbraw/zinc/40/87/75/1364408775.db2.gz BGCBDIQGVFWFSS-GDBMZVCRSA-N 1 3 347.494 2.835 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cccc(Cl)c1 ZINC001403186415 1364412349 /nfs/dbraw/zinc/41/23/49/1364412349.db2.gz ZMDLCRQSOCXYQU-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001403198927 1364426844 /nfs/dbraw/zinc/42/68/44/1364426844.db2.gz VXAXSUKBSFVZFD-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001403198927 1364426846 /nfs/dbraw/zinc/42/68/46/1364426846.db2.gz VXAXSUKBSFVZFD-GOSISDBHSA-N 1 3 333.520 2.890 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1ccccc1F ZINC001403258179 1364470026 /nfs/dbraw/zinc/47/00/26/1364470026.db2.gz NCOSKIQMEMHXSR-SFHVURJKSA-N 1 3 346.450 2.754 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001403290348 1364505987 /nfs/dbraw/zinc/50/59/87/1364505987.db2.gz KNSONYQUVHTNIX-ZWKOTPCHSA-N 1 3 347.478 2.827 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001403296644 1364513082 /nfs/dbraw/zinc/51/30/82/1364513082.db2.gz XHEMBQLQVUFTGZ-HZPDHXFCSA-N 1 3 337.533 2.649 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1ncccc1C ZINC001403297649 1364514378 /nfs/dbraw/zinc/51/43/78/1364514378.db2.gz QXAONYGMHBNURE-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1ncccc1C ZINC001403297649 1364514380 /nfs/dbraw/zinc/51/43/80/1364514380.db2.gz QXAONYGMHBNURE-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C1)C1CCC1 ZINC001403303601 1364518962 /nfs/dbraw/zinc/51/89/62/1364518962.db2.gz SAIYKCUDDFKIIL-JKOFNFNQSA-N 1 3 348.318 2.807 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C\Cl)C1)C1CCC1 ZINC001403303594 1364519012 /nfs/dbraw/zinc/51/90/12/1364519012.db2.gz SAIYKCUDDFKIIL-DBLGQFABSA-N 1 3 348.318 2.807 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001403477110 1364682019 /nfs/dbraw/zinc/68/20/19/1364682019.db2.gz YUXXTQPNSACXKR-CYBMUJFWSA-N 1 3 348.878 2.907 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c(C)s1 ZINC001403508968 1364714361 /nfs/dbraw/zinc/71/43/61/1364714361.db2.gz IEYZDPDSVFWRAN-QGZVFWFLSA-N 1 3 346.500 2.657 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)C1CC1)N(C)C ZINC001403528535 1364734731 /nfs/dbraw/zinc/73/47/31/1364734731.db2.gz OTKYDCPUJKSZMX-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCc1ccccc1Cl)[NH+](C)C ZINC001403562398 1364763148 /nfs/dbraw/zinc/76/31/48/1364763148.db2.gz SURFGMQYZFWMQH-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001403566920 1364768074 /nfs/dbraw/zinc/76/80/74/1364768074.db2.gz OISSEAMCJFGZQK-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1ccc(C)cc1C ZINC001403566920 1364768080 /nfs/dbraw/zinc/76/80/80/1364768080.db2.gz OISSEAMCJFGZQK-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001403597133 1364800785 /nfs/dbraw/zinc/80/07/85/1364800785.db2.gz SLYWHEAFAJTJLV-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001403612046 1364816239 /nfs/dbraw/zinc/81/62/39/1364816239.db2.gz XXWPFLKSKHFNAS-CABCVRRESA-N 1 3 340.471 2.639 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(CF)cc2)C[C@@H]1C ZINC001403737476 1364893102 /nfs/dbraw/zinc/89/31/02/1364893102.db2.gz BJKNUXZUEPARRO-MAUKXSAKSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001403754760 1364904852 /nfs/dbraw/zinc/90/48/52/1364904852.db2.gz WBVSWUUCVVCTGG-LJQANCHMSA-N 1 3 333.520 2.746 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)c1 ZINC001403754760 1364904855 /nfs/dbraw/zinc/90/48/55/1364904855.db2.gz WBVSWUUCVVCTGG-LJQANCHMSA-N 1 3 333.520 2.746 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@H]1C ZINC001403765723 1364913732 /nfs/dbraw/zinc/91/37/32/1364913732.db2.gz JAQAYPYTWHXQLW-CRAIPNDOSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001403773870 1364922748 /nfs/dbraw/zinc/92/27/48/1364922748.db2.gz ZSXBHPRVUIZSGC-QFBILLFUSA-N 1 3 331.504 2.871 20 0 EFADHO CC(C)c1ccc([C@H](C)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001403773870 1364922752 /nfs/dbraw/zinc/92/27/52/1364922752.db2.gz ZSXBHPRVUIZSGC-QFBILLFUSA-N 1 3 331.504 2.871 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCc2c1cccc2F ZINC001403915941 1365038153 /nfs/dbraw/zinc/03/81/53/1365038153.db2.gz UQKXOTMJNDDJDK-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCc2c1cccc2F ZINC001403915941 1365038156 /nfs/dbraw/zinc/03/81/56/1365038156.db2.gz UQKXOTMJNDDJDK-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1C ZINC001403940367 1365075373 /nfs/dbraw/zinc/07/53/73/1365075373.db2.gz OTPIGWRJHSORMT-MRXNPFEDSA-N 1 3 337.895 2.538 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1C ZINC001403940367 1365075378 /nfs/dbraw/zinc/07/53/78/1365075378.db2.gz OTPIGWRJHSORMT-MRXNPFEDSA-N 1 3 337.895 2.538 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](CC)CCc1ccc(C)cc1 ZINC001403955065 1365098678 /nfs/dbraw/zinc/09/86/78/1365098678.db2.gz XOUJPECGVKYXBG-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](CC)CCc1ccc(C)cc1 ZINC001403955065 1365098682 /nfs/dbraw/zinc/09/86/82/1365098682.db2.gz XOUJPECGVKYXBG-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001437517661 1387720930 /nfs/dbraw/zinc/72/09/30/1387720930.db2.gz RSVPYSISDBQYMW-SFHVURJKSA-N 1 3 333.520 2.872 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001437517661 1387720935 /nfs/dbraw/zinc/72/09/35/1387720935.db2.gz RSVPYSISDBQYMW-SFHVURJKSA-N 1 3 333.520 2.872 20 0 EFADHO CCc1cccc(CN2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001403999344 1365152226 /nfs/dbraw/zinc/15/22/26/1365152226.db2.gz CWIQEKDJXSJEAX-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001404016114 1365170962 /nfs/dbraw/zinc/17/09/62/1365170962.db2.gz JNNOWYFYXFBKCA-ZOJXTTQQSA-N 1 3 347.478 2.734 20 0 EFADHO CCC(CC)C[NH2+]C1CC(N(C)C(=O)CN(C)CC(C)(C)C)C1 ZINC001404030649 1365189497 /nfs/dbraw/zinc/18/94/97/1365189497.db2.gz VSIQMCIRLMDCPY-UHFFFAOYSA-N 1 3 325.541 2.980 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001404030563 1365190049 /nfs/dbraw/zinc/19/00/49/1365190049.db2.gz ZLWPHHQXVHQOEZ-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc2c(c1)CCC2 ZINC001404030563 1365190051 /nfs/dbraw/zinc/19/00/51/1365190051.db2.gz ZLWPHHQXVHQOEZ-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001404072212 1365231680 /nfs/dbraw/zinc/23/16/80/1365231680.db2.gz FTRBGUILUUFQGA-IEJDHCNXSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001404072212 1365231685 /nfs/dbraw/zinc/23/16/85/1365231685.db2.gz FTRBGUILUUFQGA-IEJDHCNXSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H](c1ccccc1F)N1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001404076911 1365236479 /nfs/dbraw/zinc/23/64/79/1365236479.db2.gz WDYZFJWNDKGTAN-HZPDHXFCSA-N 1 3 335.467 2.667 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001404077395 1365237559 /nfs/dbraw/zinc/23/75/59/1365237559.db2.gz WNFJUQUHBIRUJO-LXPRWKDFSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001404077395 1365237563 /nfs/dbraw/zinc/23/75/63/1365237563.db2.gz WNFJUQUHBIRUJO-LXPRWKDFSA-N 1 3 335.536 2.735 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)c(F)c1 ZINC001404157234 1365313894 /nfs/dbraw/zinc/31/38/94/1365313894.db2.gz KXDBBFZRSJVOLG-MRXNPFEDSA-N 1 3 349.494 2.804 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)c(F)c1 ZINC001404157234 1365313898 /nfs/dbraw/zinc/31/38/98/1365313898.db2.gz KXDBBFZRSJVOLG-MRXNPFEDSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cc2ccccc2o1 ZINC001404168009 1365322291 /nfs/dbraw/zinc/32/22/91/1365322291.db2.gz BAXDWCVEJTWRBN-QGZVFWFLSA-N 1 3 343.471 2.713 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cc2ccccc2o1 ZINC001404168009 1365322297 /nfs/dbraw/zinc/32/22/97/1365322297.db2.gz BAXDWCVEJTWRBN-QGZVFWFLSA-N 1 3 343.471 2.713 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCCN(C)[C@@H](C)c2ccccc2)CC1 ZINC001437537147 1387739923 /nfs/dbraw/zinc/73/99/23/1387739923.db2.gz JANVYHRFCVGHFF-KRWDZBQOSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1)N(C)C ZINC001404341542 1365462043 /nfs/dbraw/zinc/46/20/43/1365462043.db2.gz VKOYOOZCYHGGQN-NZJBMZQBSA-N 1 3 329.916 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1)N(C)C ZINC001404341555 1365462071 /nfs/dbraw/zinc/46/20/71/1365462071.db2.gz VKOYOOZCYHGGQN-SYTIVJCGSA-N 1 3 329.916 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001404611464 1365712869 /nfs/dbraw/zinc/71/28/69/1365712869.db2.gz VMTARLHQIFDRPE-SFHVURJKSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001404611464 1365712871 /nfs/dbraw/zinc/71/28/71/1365712871.db2.gz VMTARLHQIFDRPE-SFHVURJKSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001404611435 1365712996 /nfs/dbraw/zinc/71/29/96/1365712996.db2.gz VMTARLHQIFDRPE-GOSISDBHSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)C1 ZINC001404611435 1365713000 /nfs/dbraw/zinc/71/30/00/1365713000.db2.gz VMTARLHQIFDRPE-GOSISDBHSA-N 1 3 349.494 2.756 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001404713037 1365787733 /nfs/dbraw/zinc/78/77/33/1365787733.db2.gz VJKDPKIUUDBNSS-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCCc2ccsc2)C1 ZINC001404713037 1365787738 /nfs/dbraw/zinc/78/77/38/1365787738.db2.gz VJKDPKIUUDBNSS-KRWDZBQOSA-N 1 3 337.533 2.603 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001404874902 1365870688 /nfs/dbraw/zinc/87/06/88/1365870688.db2.gz PBIIJGMNEBTPOU-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+]([C@H]2CCCc3ccccc32)C1)N(C)C ZINC001404922223 1365910495 /nfs/dbraw/zinc/91/04/95/1365910495.db2.gz RCBTYMGDMRRXRJ-PMACEKPBSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001404924489 1365911938 /nfs/dbraw/zinc/91/19/38/1365911938.db2.gz UVYMEMFHTBHXJU-SFHVURJKSA-N 1 3 337.552 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001404997528 1365960745 /nfs/dbraw/zinc/96/07/45/1365960745.db2.gz LEDGMKXPTGAUBA-OALUTQOASA-N 1 3 349.494 2.535 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1)N(C)C ZINC001404997528 1365960750 /nfs/dbraw/zinc/96/07/50/1365960750.db2.gz LEDGMKXPTGAUBA-OALUTQOASA-N 1 3 349.494 2.535 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001405029457 1365976735 /nfs/dbraw/zinc/97/67/35/1365976735.db2.gz OIXHTPVWXHFHRH-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001405029457 1365976737 /nfs/dbraw/zinc/97/67/37/1365976737.db2.gz OIXHTPVWXHFHRH-PKOBYXMFSA-N 1 3 347.478 2.735 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001437570101 1387781455 /nfs/dbraw/zinc/78/14/55/1387781455.db2.gz NOFYOHQOSXBBNN-VQTJNVASSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001437570101 1387781462 /nfs/dbraw/zinc/78/14/62/1387781462.db2.gz NOFYOHQOSXBBNN-VQTJNVASSA-N 1 3 343.515 2.986 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001437571826 1387784754 /nfs/dbraw/zinc/78/47/54/1387784754.db2.gz YYWNNKXWCLBUNE-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1CCCCN1CC ZINC001437571826 1387784757 /nfs/dbraw/zinc/78/47/57/1387784757.db2.gz YYWNNKXWCLBUNE-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001405329427 1366148866 /nfs/dbraw/zinc/14/88/66/1366148866.db2.gz BZSAUEZGXJTKQG-BBRMVZONSA-N 1 3 343.874 2.804 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)[NH2+]Cc1cc(F)ccc1C ZINC001405351760 1366158141 /nfs/dbraw/zinc/15/81/41/1366158141.db2.gz MVWMCKCSVCOFOA-QZTJIDSGSA-N 1 3 337.483 2.705 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001405519007 1366263570 /nfs/dbraw/zinc/26/35/70/1366263570.db2.gz MEQLHZZGOIZNPJ-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO CN(C)C1(C(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)CCC1 ZINC001405538899 1366279204 /nfs/dbraw/zinc/27/92/04/1366279204.db2.gz ICGZUNVTBQINII-UHFFFAOYSA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1CC[NH+](CC2CC(C)C2)CC1)N(C)C ZINC001405552612 1366289029 /nfs/dbraw/zinc/28/90/29/1366289029.db2.gz IBEGFPCXYXTLKU-NKELODKYSA-N 1 3 337.552 2.837 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001405559856 1366295914 /nfs/dbraw/zinc/29/59/14/1366295914.db2.gz TWCONFPXYZITGA-SFHVURJKSA-N 1 3 343.515 2.747 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001405594707 1366310272 /nfs/dbraw/zinc/31/02/72/1366310272.db2.gz ICUYLFTYJXMQLM-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCc1cc2ccccc2o1 ZINC001405594707 1366310276 /nfs/dbraw/zinc/31/02/76/1366310276.db2.gz ICUYLFTYJXMQLM-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001405666388 1366327729 /nfs/dbraw/zinc/32/77/29/1366327729.db2.gz DXKZOIDEVGYDJO-CRAIPNDOSA-N 1 3 335.467 2.540 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccccc3F)CCCC2)CCC1 ZINC001405742604 1366378335 /nfs/dbraw/zinc/37/83/35/1366378335.db2.gz CGGUUEGURXUSAT-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1F)N(C)C ZINC001405743605 1366378990 /nfs/dbraw/zinc/37/89/90/1366378990.db2.gz YIJIGTWPOFULRX-MLGOLLRUSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@@H](C)C1)CC2 ZINC001405788658 1366416627 /nfs/dbraw/zinc/41/66/27/1366416627.db2.gz JGWSPKJSJDTRBK-MOPGFXCFSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)CN(C)C1CCC1 ZINC001405818228 1366436819 /nfs/dbraw/zinc/43/68/19/1366436819.db2.gz ADPUZMKUMHGESX-UZLBHIALSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001405822980 1366441100 /nfs/dbraw/zinc/44/11/00/1366441100.db2.gz FLTSUANELLDYNN-DOMZBBRYSA-N 1 3 345.940 2.924 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(F)cc1C ZINC001437598209 1387811960 /nfs/dbraw/zinc/81/19/60/1387811960.db2.gz NJQWAXXMIZKTCG-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(F)cc1C ZINC001437598209 1387811967 /nfs/dbraw/zinc/81/19/67/1387811967.db2.gz NJQWAXXMIZKTCG-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001405848439 1366460361 /nfs/dbraw/zinc/46/03/61/1366460361.db2.gz HWAFCQWJVLUPLN-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H](CNCc1cc2ccccc2o1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001405873639 1366482226 /nfs/dbraw/zinc/48/22/26/1366482226.db2.gz RJICZYWJCRNXTI-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCc2ccc(F)cc21 ZINC001437615670 1387832568 /nfs/dbraw/zinc/83/25/68/1387832568.db2.gz KDUHSPOFXICJFE-SFHVURJKSA-N 1 3 347.478 2.593 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001405971906 1367028755 /nfs/dbraw/zinc/02/87/55/1367028755.db2.gz RWWINWOSXXPCRI-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001405971906 1367028765 /nfs/dbraw/zinc/02/87/65/1367028765.db2.gz RWWINWOSXXPCRI-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001406117356 1367257088 /nfs/dbraw/zinc/25/70/88/1367257088.db2.gz WTCHVVNNZJMYEH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001406117356 1367257092 /nfs/dbraw/zinc/25/70/92/1367257092.db2.gz WTCHVVNNZJMYEH-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001406118301 1367260343 /nfs/dbraw/zinc/26/03/43/1367260343.db2.gz AWNNHBANOUYPFQ-HNNXBMFYSA-N 1 3 335.467 2.619 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001406125342 1367274519 /nfs/dbraw/zinc/27/45/19/1367274519.db2.gz NHDLWWXWLBUQMW-RBUKOAKNSA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@H]1CCCN1C ZINC001406125342 1367274525 /nfs/dbraw/zinc/27/45/25/1367274525.db2.gz NHDLWWXWLBUQMW-RBUKOAKNSA-N 1 3 329.488 2.548 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001406138138 1367301756 /nfs/dbraw/zinc/30/17/56/1367301756.db2.gz WLDYIKALJHPKCW-LJQANCHMSA-N 1 3 333.520 2.780 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@@H](C)c1cccc(F)c1)[NH+](C)C ZINC001406152901 1367328374 /nfs/dbraw/zinc/32/83/74/1367328374.db2.gz KMKGVJDPAJCCRZ-YJBOKZPZSA-N 1 3 337.483 2.863 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccc(C)cc1 ZINC001406171512 1367362369 /nfs/dbraw/zinc/36/23/69/1367362369.db2.gz PFDMVSLXDJUOGV-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC001406171512 1367362375 /nfs/dbraw/zinc/36/23/75/1367362375.db2.gz PFDMVSLXDJUOGV-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC001406184789 1367382675 /nfs/dbraw/zinc/38/26/75/1367382675.db2.gz NANOBCIWGGERBD-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)C1 ZINC001406184789 1367382682 /nfs/dbraw/zinc/38/26/82/1367382682.db2.gz NANOBCIWGGERBD-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](CNCc1ccccc1F)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001406371138 1367532230 /nfs/dbraw/zinc/53/22/30/1367532230.db2.gz UUFBLGPDZHSVHZ-MRXNPFEDSA-N 1 3 349.494 2.932 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001406401116 1367547815 /nfs/dbraw/zinc/54/78/15/1367547815.db2.gz QEGSQOMSVRSZLT-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C(C)C ZINC001437647614 1387888216 /nfs/dbraw/zinc/88/82/16/1387888216.db2.gz LRNMXGAUAHUZNG-GOSISDBHSA-N 1 3 331.504 2.700 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C(C)C ZINC001437647614 1387888224 /nfs/dbraw/zinc/88/82/24/1387888224.db2.gz LRNMXGAUAHUZNG-GOSISDBHSA-N 1 3 331.504 2.700 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001406527936 1367687682 /nfs/dbraw/zinc/68/76/82/1367687682.db2.gz JOLQFTOPTVIFMR-ZENOOKHLSA-N 1 3 325.884 2.836 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001406548211 1367713208 /nfs/dbraw/zinc/71/32/08/1367713208.db2.gz XWJNLPWXMZDAOF-INIZCTEOSA-N 1 3 333.520 2.920 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001406770490 1368027662 /nfs/dbraw/zinc/02/76/62/1368027662.db2.gz GLSCCMVIFGROKL-KBXCAEBGSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001406779459 1368039774 /nfs/dbraw/zinc/03/97/74/1368039774.db2.gz OSRPSMJMGPHEHR-VQTJNVASSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cs1 ZINC001406782850 1368045191 /nfs/dbraw/zinc/04/51/91/1368045191.db2.gz RNKDFOPVYRDOOL-INIZCTEOSA-N 1 3 335.517 2.525 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H](CC)C1 ZINC001406805211 1368078141 /nfs/dbraw/zinc/07/81/41/1368078141.db2.gz JNTLUTICCDHBRN-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN1CCCc1ccccc1 ZINC001406894427 1368180740 /nfs/dbraw/zinc/18/07/40/1368180740.db2.gz DGXAHFVYYAYQQP-FQEVSTJZSA-N 1 3 343.515 2.686 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001406936639 1368227550 /nfs/dbraw/zinc/22/75/50/1368227550.db2.gz NEIFENAPZIFPMH-SFHVURJKSA-N 1 3 331.504 2.628 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)c(C)c1 ZINC001406945223 1368235172 /nfs/dbraw/zinc/23/51/72/1368235172.db2.gz QJXCPXYTYSMZEQ-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC001406962761 1368253687 /nfs/dbraw/zinc/25/36/87/1368253687.db2.gz XZCGDGCDUWMZJI-GOSISDBHSA-N 1 3 331.504 2.574 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001407011494 1368321155 /nfs/dbraw/zinc/32/11/55/1368321155.db2.gz QVUGULVSNPEZCE-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001407011494 1368321163 /nfs/dbraw/zinc/32/11/63/1368321163.db2.gz QVUGULVSNPEZCE-GOSISDBHSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001407132329 1368467639 /nfs/dbraw/zinc/46/76/39/1368467639.db2.gz OQSJXPLSGCYDNI-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001437688521 1387943225 /nfs/dbraw/zinc/94/32/25/1387943225.db2.gz PQBPTMREKCWEKR-AZUAARDMSA-N 1 3 345.531 2.970 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001437688521 1387943226 /nfs/dbraw/zinc/94/32/26/1387943226.db2.gz PQBPTMREKCWEKR-AZUAARDMSA-N 1 3 345.531 2.970 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001407541728 1368961768 /nfs/dbraw/zinc/96/17/68/1368961768.db2.gz ZTRNJLXVCPJKOL-MJGOQNOKSA-N 1 3 331.504 2.663 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl)C1CCC1 ZINC001407554195 1368978986 /nfs/dbraw/zinc/97/89/86/1368978986.db2.gz QQKMMWXKPXESBU-TYQIJTGJSA-N 1 3 339.911 2.582 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl)C1CCC1 ZINC001407554195 1368978992 /nfs/dbraw/zinc/97/89/92/1368978992.db2.gz QQKMMWXKPXESBU-TYQIJTGJSA-N 1 3 339.911 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001437726662 1387976759 /nfs/dbraw/zinc/97/67/59/1387976759.db2.gz RIHAOPLXRFMBNM-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H](C)c2ccccc2F)C1 ZINC001437726662 1387976764 /nfs/dbraw/zinc/97/67/64/1387976764.db2.gz RIHAOPLXRFMBNM-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H]1CCc2ccc(F)cc21 ZINC001492966396 1369118230 /nfs/dbraw/zinc/11/82/30/1369118230.db2.gz UDGPBTYZPRDPLN-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@H]1CCc2ccc(F)cc21 ZINC001492966396 1369118233 /nfs/dbraw/zinc/11/82/33/1369118233.db2.gz UDGPBTYZPRDPLN-SFHVURJKSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001437742890 1387994161 /nfs/dbraw/zinc/99/41/61/1387994161.db2.gz QYVLSICTXSICBU-DLBZAZTESA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001437742890 1387994166 /nfs/dbraw/zinc/99/41/66/1387994166.db2.gz QYVLSICTXSICBU-DLBZAZTESA-N 1 3 340.471 2.768 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001408005902 1369519354 /nfs/dbraw/zinc/51/93/54/1369519354.db2.gz KQGJAFIRGZGTLF-HXUWFJFHSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001408198793 1369706200 /nfs/dbraw/zinc/70/62/00/1369706200.db2.gz MBBNOVYXZBJGPE-LSDHHAIUSA-N 1 3 335.467 2.855 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCC2)CCC1 ZINC001408341744 1369848626 /nfs/dbraw/zinc/84/86/26/1369848626.db2.gz IYSJGUFAQMMIGV-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CCCC2)CCC1 ZINC001408341744 1369848630 /nfs/dbraw/zinc/84/86/30/1369848630.db2.gz IYSJGUFAQMMIGV-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001414189884 1370078855 /nfs/dbraw/zinc/07/88/55/1370078855.db2.gz ZVLVLKIHGPCIAJ-DLBZAZTESA-N 1 3 339.524 2.715 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCCN1C)[N@H+](C)Cc1ccccc1 ZINC001414567575 1370452658 /nfs/dbraw/zinc/45/26/58/1370452658.db2.gz AODKLTOHUWOQET-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H]1CCCCN1C)[N@@H+](C)Cc1ccccc1 ZINC001414567575 1370452660 /nfs/dbraw/zinc/45/26/60/1370452660.db2.gz AODKLTOHUWOQET-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001437790203 1388075472 /nfs/dbraw/zinc/07/54/72/1388075472.db2.gz DKFKFWFNYPOXTA-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001437790203 1388075479 /nfs/dbraw/zinc/07/54/79/1388075479.db2.gz DKFKFWFNYPOXTA-VQIMIIECSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001437790201 1388075640 /nfs/dbraw/zinc/07/56/40/1388075640.db2.gz DKFKFWFNYPOXTA-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@@H](C)c1cccc(C)c1)C1CC1)N(C)C ZINC001437790201 1388075647 /nfs/dbraw/zinc/07/56/47/1388075647.db2.gz DKFKFWFNYPOXTA-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccc(CN(CCNC(=O)C2(C[NH+](C)C)CC2)C2CC2)c(C)c1 ZINC001437804431 1388086252 /nfs/dbraw/zinc/08/62/52/1388086252.db2.gz NJSILBQAWLCTJQ-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1)N(C)C ZINC001437843862 1388136120 /nfs/dbraw/zinc/13/61/20/1388136120.db2.gz SILSEXFFXKMAGP-BBRMVZONSA-N 1 3 325.884 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001437852212 1388141662 /nfs/dbraw/zinc/14/16/62/1388141662.db2.gz YCRZVXWFBDLGDQ-OALUTQOASA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001437855911 1388144480 /nfs/dbraw/zinc/14/44/80/1388144480.db2.gz LIKPNCKCAOUDPW-OXJNMPFZSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2F)CC1 ZINC001437859631 1388147878 /nfs/dbraw/zinc/14/78/78/1388147878.db2.gz NJXZEXGACTUKQT-INIZCTEOSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417765007 1373229328 /nfs/dbraw/zinc/22/93/28/1373229328.db2.gz RJJBJRDFAPMKRC-RHNCMZPLSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001417801895 1373271117 /nfs/dbraw/zinc/27/11/17/1373271117.db2.gz QKIBLLXUTFSWPF-QGPMSJSTSA-N 1 3 340.471 2.815 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001417942800 1373432414 /nfs/dbraw/zinc/43/24/14/1373432414.db2.gz DFWONOHIVAOCDV-FUHWJXTLSA-N 1 3 329.488 2.588 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001417954136 1373446379 /nfs/dbraw/zinc/44/63/79/1373446379.db2.gz KTDDENQTJMXXDR-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001417954136 1373446384 /nfs/dbraw/zinc/44/63/84/1373446384.db2.gz KTDDENQTJMXXDR-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCc1ccccc1)CC2)N(C)C ZINC001417953977 1373446598 /nfs/dbraw/zinc/44/65/98/1373446598.db2.gz JSVDXHIFAKASIS-RBUKOAKNSA-N 1 3 343.515 2.540 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@@H](NCC=C(Cl)Cl)C2CC2)CC1 ZINC001417996838 1373502482 /nfs/dbraw/zinc/50/24/82/1373502482.db2.gz FKYZEYMBBCLECI-CQSZACIVSA-N 1 3 348.318 2.522 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001418030805 1373545832 /nfs/dbraw/zinc/54/58/32/1373545832.db2.gz FYUHKFOPDUHGLT-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CN(CCF)C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001418030805 1373545834 /nfs/dbraw/zinc/54/58/34/1373545834.db2.gz FYUHKFOPDUHGLT-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001418075496 1373580095 /nfs/dbraw/zinc/58/00/95/1373580095.db2.gz QBYAPWIDHPEMNP-HBUWYVDXSA-N 1 3 349.906 2.906 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001418134590 1373658341 /nfs/dbraw/zinc/65/83/41/1373658341.db2.gz HRCZVILXZDVJAM-MOPGFXCFSA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001418134590 1373658346 /nfs/dbraw/zinc/65/83/46/1373658346.db2.gz HRCZVILXZDVJAM-MOPGFXCFSA-N 1 3 349.494 2.825 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001418139314 1373664674 /nfs/dbraw/zinc/66/46/74/1373664674.db2.gz RQZRCEGCFAQKTG-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001418139314 1373664677 /nfs/dbraw/zinc/66/46/77/1373664677.db2.gz RQZRCEGCFAQKTG-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001418141000 1373666918 /nfs/dbraw/zinc/66/69/18/1373666918.db2.gz WTWAMWFNNBSXSJ-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001418141000 1373666922 /nfs/dbraw/zinc/66/69/22/1373666922.db2.gz WTWAMWFNNBSXSJ-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)N(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001418160852 1373706154 /nfs/dbraw/zinc/70/61/54/1373706154.db2.gz GQZCLIFICYCKGV-IBGZPJMESA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001418172017 1373724631 /nfs/dbraw/zinc/72/46/31/1373724631.db2.gz IRJWAZRTTLTUCP-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001418172017 1373724633 /nfs/dbraw/zinc/72/46/33/1373724633.db2.gz IRJWAZRTTLTUCP-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001418172323 1373726446 /nfs/dbraw/zinc/72/64/46/1373726446.db2.gz GONXPYXZTANDSS-DLBZAZTESA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C\Cl ZINC001418172345 1373726504 /nfs/dbraw/zinc/72/65/04/1373726504.db2.gz UZMBIKDZEOZFGL-RVHKNYROSA-N 1 3 341.927 2.926 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCCN1C/C=C\Cl ZINC001418172345 1373726508 /nfs/dbraw/zinc/72/65/08/1373726508.db2.gz UZMBIKDZEOZFGL-RVHKNYROSA-N 1 3 341.927 2.926 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001418232282 1373787134 /nfs/dbraw/zinc/78/71/34/1373787134.db2.gz CICUROGYGCGFOX-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001418234267 1373788946 /nfs/dbraw/zinc/78/89/46/1373788946.db2.gz KJQCECIUEVHISW-WMLDXEAASA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCC(F)(F)CC1 ZINC001418277515 1373849016 /nfs/dbraw/zinc/84/90/16/1373849016.db2.gz XBCCIHDJBHESLT-AWEZNQCLSA-N 1 3 347.494 2.884 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCCC1)NCc1cccc(F)c1 ZINC001418316283 1373896234 /nfs/dbraw/zinc/89/62/34/1373896234.db2.gz SQPFUMFKIQXMJX-MRXNPFEDSA-N 1 3 335.467 2.686 20 0 EFADHO CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001418429516 1374015939 /nfs/dbraw/zinc/01/59/39/1374015939.db2.gz QGHNIFNOBRSCHO-PBHICJAKSA-N 1 3 328.460 2.896 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001418462628 1374051778 /nfs/dbraw/zinc/05/17/78/1374051778.db2.gz VMFWMGCQYAMONO-CKEIUWERSA-N 1 3 337.895 2.789 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001418462628 1374051783 /nfs/dbraw/zinc/05/17/83/1374051783.db2.gz VMFWMGCQYAMONO-CKEIUWERSA-N 1 3 337.895 2.789 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC001418494595 1374090962 /nfs/dbraw/zinc/09/09/62/1374090962.db2.gz LFHKKLIUCBGCNM-KSSFIOAISA-N 1 3 349.906 2.717 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](C)[C@H]2CCc3c2cccc3Cl)C1 ZINC001418494595 1374090965 /nfs/dbraw/zinc/09/09/65/1374090965.db2.gz LFHKKLIUCBGCNM-KSSFIOAISA-N 1 3 349.906 2.717 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001418512833 1374114913 /nfs/dbraw/zinc/11/49/13/1374114913.db2.gz RTSFMKROILXQOD-LJQANCHMSA-N 1 3 327.472 2.728 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1)N(C)C ZINC001418512833 1374114917 /nfs/dbraw/zinc/11/49/17/1374114917.db2.gz RTSFMKROILXQOD-LJQANCHMSA-N 1 3 327.472 2.728 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[N@H+](C)CCc2ccccc2)c1 ZINC001418529164 1374137570 /nfs/dbraw/zinc/13/75/70/1374137570.db2.gz ZTTHLENOWYZMEH-UHFFFAOYSA-N 1 3 339.483 2.653 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[N@@H+](C)CCc2ccccc2)c1 ZINC001418529164 1374137571 /nfs/dbraw/zinc/13/75/71/1374137571.db2.gz ZTTHLENOWYZMEH-UHFFFAOYSA-N 1 3 339.483 2.653 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)CC(C)(C)C)Cc1ccccc1C ZINC001418562515 1374184970 /nfs/dbraw/zinc/18/49/70/1374184970.db2.gz QDINHWSWNDXHAM-UHFFFAOYSA-N 1 3 333.520 2.911 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)CC(C)(C)C)Cc1ccccc1C ZINC001418562515 1374184971 /nfs/dbraw/zinc/18/49/71/1374184971.db2.gz QDINHWSWNDXHAM-UHFFFAOYSA-N 1 3 333.520 2.911 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)CC1 ZINC001418640678 1374309999 /nfs/dbraw/zinc/30/99/99/1374309999.db2.gz UCKSOBBLJRUDRI-MAEOIBBWSA-N 1 3 347.478 2.542 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418655211 1374327183 /nfs/dbraw/zinc/32/71/83/1374327183.db2.gz DLPKGSPCVYAMPW-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418655211 1374327187 /nfs/dbraw/zinc/32/71/87/1374327187.db2.gz DLPKGSPCVYAMPW-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001418687289 1374370189 /nfs/dbraw/zinc/37/01/89/1374370189.db2.gz VQCPAEXZKIICKC-IIDMSEBBSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001418698421 1374383911 /nfs/dbraw/zinc/38/39/11/1374383911.db2.gz NMKPAUPHGYIBHD-FHWLQOOXSA-N 1 3 331.504 2.628 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001418701479 1374386547 /nfs/dbraw/zinc/38/65/47/1374386547.db2.gz JOKYMAXACUDOSN-DJIMGWMZSA-N 1 3 337.895 2.665 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C)c1 ZINC001418726483 1374422222 /nfs/dbraw/zinc/42/22/22/1374422222.db2.gz DUIAJKYHQIRXIH-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C)c1 ZINC001418726483 1374422226 /nfs/dbraw/zinc/42/22/26/1374422226.db2.gz DUIAJKYHQIRXIH-GOSISDBHSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC001438020292 1388321706 /nfs/dbraw/zinc/32/17/06/1388321706.db2.gz GIPMBMKLHZZXTC-BHIYHBOVSA-N 1 3 331.504 2.914 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001438022875 1388324674 /nfs/dbraw/zinc/32/46/74/1388324674.db2.gz YGYNBOVLVTZIQJ-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN([C@H](C)c2cccc(C)c2)C1 ZINC001438022875 1388324680 /nfs/dbraw/zinc/32/46/80/1388324680.db2.gz YGYNBOVLVTZIQJ-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941544 1374711706 /nfs/dbraw/zinc/71/17/06/1374711706.db2.gz RSOXNRSVHJCOCT-SJORKVTESA-N 1 3 325.541 2.791 20 0 EFADHO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001418941544 1374711708 /nfs/dbraw/zinc/71/17/08/1374711708.db2.gz RSOXNRSVHJCOCT-SJORKVTESA-N 1 3 325.541 2.791 20 0 EFADHO CC(C)(C(=O)NCC1C[NH+](CCc2ccccc2)C1)N1CCCCC1 ZINC001419023545 1374771781 /nfs/dbraw/zinc/77/17/81/1374771781.db2.gz UUJMWYVMLZXPKT-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO CN(CC(=O)NCC1C[NH+](CCCC(C)(C)C)C1)CC(C)(C)C ZINC001419038015 1374782192 /nfs/dbraw/zinc/78/21/92/1374782192.db2.gz KDYKSTRWZSANLT-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001419044299 1374786673 /nfs/dbraw/zinc/78/66/73/1374786673.db2.gz XDHGJPZIZCFGJS-QGZVFWFLSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001419044299 1374786674 /nfs/dbraw/zinc/78/66/74/1374786674.db2.gz XDHGJPZIZCFGJS-QGZVFWFLSA-N 1 3 331.504 2.836 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001419069533 1374808991 /nfs/dbraw/zinc/80/89/91/1374808991.db2.gz ORAMJHUUUJZRNI-FQEVSTJZSA-N 1 3 343.515 2.870 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001419097664 1374841036 /nfs/dbraw/zinc/84/10/36/1374841036.db2.gz YRGPVXBDKXSQLW-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(F)ccc1C ZINC001419194582 1374940776 /nfs/dbraw/zinc/94/07/76/1374940776.db2.gz NPXBQRFXGYPZQZ-QGZVFWFLSA-N 1 3 335.467 2.603 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001419206634 1374952312 /nfs/dbraw/zinc/95/23/12/1374952312.db2.gz MDVSJRWACWMNPC-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001419261585 1375007292 /nfs/dbraw/zinc/00/72/92/1375007292.db2.gz MDURIPNPEMQDDS-HXUWFJFHSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)CN(C)C2CCC2)C2CC2)c(C)c1 ZINC001419261582 1375007805 /nfs/dbraw/zinc/00/78/05/1375007805.db2.gz MDURIPNPEMQDDS-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C1CC1)c1cccc(F)c1 ZINC001419272698 1375018341 /nfs/dbraw/zinc/01/83/41/1375018341.db2.gz WMDNOBPMRWCVLG-LIRRHRJNSA-N 1 3 347.478 2.855 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C1CC1 ZINC001419301481 1375061889 /nfs/dbraw/zinc/06/18/89/1375061889.db2.gz DYABDKMUBIMDIJ-RTBURBONSA-N 1 3 347.478 2.639 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)CC1)N(C)C ZINC001419387557 1375206236 /nfs/dbraw/zinc/20/62/36/1375206236.db2.gz TWHHJXDPCQBGBL-LNLFQRSKSA-N 1 3 349.494 2.991 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001419417815 1375246959 /nfs/dbraw/zinc/24/69/59/1375246959.db2.gz UHKRJSSTRWOJER-WGSAOQKQSA-N 1 3 343.515 2.513 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001419419893 1375251120 /nfs/dbraw/zinc/25/11/20/1375251120.db2.gz SULNSTTZDHTCGW-PBWTXFEYSA-N 1 3 347.478 2.636 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001419421333 1375252725 /nfs/dbraw/zinc/25/27/25/1375252725.db2.gz DDDDVBYGTQNZCJ-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccc(F)cc2Cl)C1 ZINC001419421333 1375252732 /nfs/dbraw/zinc/25/27/32/1375252732.db2.gz DDDDVBYGTQNZCJ-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1ccccc1Cl ZINC001419474191 1375318381 /nfs/dbraw/zinc/31/83/81/1375318381.db2.gz YKSXWBUDURCWPL-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001419528505 1375392225 /nfs/dbraw/zinc/39/22/25/1375392225.db2.gz PRHQTBZZICRJHI-RDTXWAMCSA-N 1 3 340.471 2.680 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC001419547042 1375430570 /nfs/dbraw/zinc/43/05/70/1375430570.db2.gz UFFYXFJCMTTZDG-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001419547042 1375430575 /nfs/dbraw/zinc/43/05/75/1375430575.db2.gz UFFYXFJCMTTZDG-QGZVFWFLSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419567513 1375462696 /nfs/dbraw/zinc/46/26/96/1375462696.db2.gz OGUAISWFRZSPQP-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001419606090 1375525417 /nfs/dbraw/zinc/52/54/17/1375525417.db2.gz KEUOYABSVIGIPW-WGPYJDKQSA-N 1 3 327.900 2.630 20 0 EFADHO CCCN(C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001438151360 1388383888 /nfs/dbraw/zinc/38/38/88/1388383888.db2.gz CGWWGSXVUUDWSY-INIZCTEOSA-N 1 3 343.515 2.626 20 0 EFADHO CN(CC(=O)NCC1([NH2+]Cc2cccc(F)c2)CCCC1)C1CCC1 ZINC001419615661 1375544254 /nfs/dbraw/zinc/54/42/54/1375544254.db2.gz OSGZYWMIUOHFDO-UHFFFAOYSA-N 1 3 347.478 2.829 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001419663218 1375662591 /nfs/dbraw/zinc/66/25/91/1375662591.db2.gz CMDOVXYWNYMNMD-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001419746707 1375805568 /nfs/dbraw/zinc/80/55/68/1375805568.db2.gz LQLIGDOLCCNIKD-QGZVFWFLSA-N 1 3 331.504 2.588 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001419758487 1375825999 /nfs/dbraw/zinc/82/59/99/1375825999.db2.gz UCUHLYJMLJWSFQ-JXFKEZNVSA-N 1 3 345.531 2.698 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]C/C=C\Cl ZINC001419812970 1375923686 /nfs/dbraw/zinc/92/36/86/1375923686.db2.gz BPNLRKQKLLRRSP-VTBIRBAPSA-N 1 3 341.927 2.830 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001419852995 1376005327 /nfs/dbraw/zinc/00/53/27/1376005327.db2.gz QUDNTACTLPQSRY-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001419953670 1376181292 /nfs/dbraw/zinc/18/12/92/1376181292.db2.gz NHDLWWXWLBUQMW-OALUTQOASA-N 1 3 329.488 2.548 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001419953670 1376181301 /nfs/dbraw/zinc/18/13/01/1376181301.db2.gz NHDLWWXWLBUQMW-OALUTQOASA-N 1 3 329.488 2.548 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001419964674 1376198682 /nfs/dbraw/zinc/19/86/82/1376198682.db2.gz DCDUDYFDZAGPRH-HNNXBMFYSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001419964674 1376198687 /nfs/dbraw/zinc/19/86/87/1376198687.db2.gz DCDUDYFDZAGPRH-HNNXBMFYSA-N 1 3 335.467 2.761 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001420023023 1376302826 /nfs/dbraw/zinc/30/28/26/1376302826.db2.gz POMCBMFVHHHWHQ-XDHNQJSPSA-N 1 3 329.916 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001420028653 1376317762 /nfs/dbraw/zinc/31/77/62/1376317762.db2.gz LUCZTWHBUIJJMX-RTBURBONSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001438243599 1388441196 /nfs/dbraw/zinc/44/11/96/1388441196.db2.gz CXSAJXQNFGVPOQ-WOJBJXKFSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001438243599 1388441201 /nfs/dbraw/zinc/44/12/01/1388441201.db2.gz CXSAJXQNFGVPOQ-WOJBJXKFSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001420104553 1376462421 /nfs/dbraw/zinc/46/24/21/1376462421.db2.gz ZAHCVHKANVCEDO-OAHLLOKOSA-N 1 3 335.467 2.603 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CCCN1C ZINC001420233651 1376589566 /nfs/dbraw/zinc/58/95/66/1376589566.db2.gz GFBXWVALLLWXSY-MSOLQXFVSA-N 1 3 349.906 2.860 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CCCN1C ZINC001420233652 1376589583 /nfs/dbraw/zinc/58/95/83/1376589583.db2.gz GFBXWVALLLWXSY-QZTJIDSGSA-N 1 3 349.906 2.860 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001420390055 1376866459 /nfs/dbraw/zinc/86/64/59/1376866459.db2.gz XYBHOFXZUMJPBS-SFHVURJKSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)Cc1ccc(F)cc1 ZINC001420390055 1376866464 /nfs/dbraw/zinc/86/64/64/1376866464.db2.gz XYBHOFXZUMJPBS-SFHVURJKSA-N 1 3 335.467 2.637 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)Cc1ccc(Cl)cc1 ZINC001420398905 1376881933 /nfs/dbraw/zinc/88/19/33/1376881933.db2.gz JEDITROKPFDLGU-UHFFFAOYSA-N 1 3 349.906 2.907 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001420425092 1376939305 /nfs/dbraw/zinc/93/93/05/1376939305.db2.gz KQWCDGVEKRJMLP-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)Cc1cc(F)ccc1C ZINC001420438865 1376975350 /nfs/dbraw/zinc/97/53/50/1376975350.db2.gz VTIROIRNUJMJCE-GOSISDBHSA-N 1 3 337.483 2.658 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001420509152 1377105515 /nfs/dbraw/zinc/10/55/15/1377105515.db2.gz UWDKKWMPPCVQCC-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCc1ccc(CC[N@H+]2CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001420540254 1377156458 /nfs/dbraw/zinc/15/64/58/1377156458.db2.gz JAIYCPCZBGHWQI-PMACEKPBSA-N 1 3 345.531 2.570 20 0 EFADHO CCc1ccc(CC[N@@H+]2CC[C@@H](CNC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001420540254 1377156460 /nfs/dbraw/zinc/15/64/60/1377156460.db2.gz JAIYCPCZBGHWQI-PMACEKPBSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587842 1377261078 /nfs/dbraw/zinc/26/10/78/1377261078.db2.gz VBRMBMKFMMZFOS-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001420587842 1377261082 /nfs/dbraw/zinc/26/10/82/1377261082.db2.gz VBRMBMKFMMZFOS-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420940239 1377913386 /nfs/dbraw/zinc/91/33/86/1377913386.db2.gz ONJWTRKGCUIRGO-OOYWPUHTSA-N 1 3 341.927 2.784 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001420940239 1377913389 /nfs/dbraw/zinc/91/33/89/1377913389.db2.gz ONJWTRKGCUIRGO-OOYWPUHTSA-N 1 3 341.927 2.784 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CN(C)C3CCC3)CC2)C1 ZINC001420957347 1377938649 /nfs/dbraw/zinc/93/86/49/1377938649.db2.gz IANGYSSIXGFKAO-IRXDYDNUSA-N 1 3 335.536 2.926 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C/c2ccccc2)CC1)CC(C)(C)C ZINC001420975392 1377962817 /nfs/dbraw/zinc/96/28/17/1377962817.db2.gz HSZKELNHFNGGFJ-DHZHZOJOSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001420981549 1377973015 /nfs/dbraw/zinc/97/30/15/1377973015.db2.gz PVCBRLZOXSMVEK-UHFFFAOYSA-N 1 3 347.478 2.604 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001420997924 1377998742 /nfs/dbraw/zinc/99/87/42/1377998742.db2.gz JKVYPDCZVPWTHK-GOEBONIOSA-N 1 3 332.492 2.715 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccn2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001421099185 1378124924 /nfs/dbraw/zinc/12/49/24/1378124924.db2.gz FYOOFTWCUDSDAZ-DLBZAZTESA-N 1 3 346.519 2.529 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2F ZINC001421143063 1378178074 /nfs/dbraw/zinc/17/80/74/1378178074.db2.gz WVNHYROBONOTHB-HNAYVOBHSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421233740 1378320516 /nfs/dbraw/zinc/32/05/16/1378320516.db2.gz UWDHTOXDTLDGQB-AOIWGVFYSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421233740 1378320520 /nfs/dbraw/zinc/32/05/20/1378320520.db2.gz UWDHTOXDTLDGQB-AOIWGVFYSA-N 1 3 331.504 2.833 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421345214 1378522757 /nfs/dbraw/zinc/52/27/57/1378522757.db2.gz IHCDZIFEMIWDOX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001421345214 1378522763 /nfs/dbraw/zinc/52/27/63/1378522763.db2.gz IHCDZIFEMIWDOX-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CN(CC(=O)NC1(C[NH2+]Cc2cccnc2)CCCC1)CC(C)(C)C ZINC001438401692 1388562595 /nfs/dbraw/zinc/56/25/95/1388562595.db2.gz MZSPESPMYAALIP-UHFFFAOYSA-N 1 3 346.519 2.578 20 0 EFADHO CC[C@H](C(=O)NC1(C[NH2+]Cc2ccc(C)cc2)CCCC1)N(C)C ZINC001421522448 1378741299 /nfs/dbraw/zinc/74/12/99/1378741299.db2.gz VMXDNTIMXMYCMV-GOSISDBHSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@H](NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526369 1378750384 /nfs/dbraw/zinc/75/03/84/1378750384.db2.gz HQKOKBNZMQAKQV-HOTGVXAUSA-N 1 3 347.478 2.857 20 0 EFADHO C[C@H](NCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1)c1ccccc1F ZINC001421526369 1378750399 /nfs/dbraw/zinc/75/03/99/1378750399.db2.gz HQKOKBNZMQAKQV-HOTGVXAUSA-N 1 3 347.478 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2csc(C)c2)C1 ZINC001421539215 1378778705 /nfs/dbraw/zinc/77/87/05/1378778705.db2.gz JXHNUQIMVRKLEZ-RDJZCZTQSA-N 1 3 337.533 2.725 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001421544630 1378787037 /nfs/dbraw/zinc/78/70/37/1378787037.db2.gz PKLBQZDIUJEABA-IEBWSBKVSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)C2(N(C)C)CCC2)CC1 ZINC001421585978 1378850495 /nfs/dbraw/zinc/85/04/95/1378850495.db2.gz NPYVCLMBYIOJSI-WGSAOQKQSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCc2c1cccc2F ZINC001421700400 1379008098 /nfs/dbraw/zinc/00/80/98/1379008098.db2.gz LQQVLNFHQTXINI-KDOFPFPSSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccccc1Cl ZINC001421705068 1379015037 /nfs/dbraw/zinc/01/50/37/1379015037.db2.gz VMXZOKYIHIYVMN-CQSZACIVSA-N 1 3 337.895 2.666 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccc(F)cc1 ZINC001421767225 1379105757 /nfs/dbraw/zinc/10/57/57/1379105757.db2.gz IRJNSTZJEQKIFC-CXAGYDPISA-N 1 3 346.450 2.893 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC001421815302 1379168165 /nfs/dbraw/zinc/16/81/65/1379168165.db2.gz AEEDXPVBNCMPOE-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001421840138 1379216228 /nfs/dbraw/zinc/21/62/28/1379216228.db2.gz OBMWSJLOVKCYLZ-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCN2C)c1 ZINC001421840138 1379216232 /nfs/dbraw/zinc/21/62/32/1379216232.db2.gz OBMWSJLOVKCYLZ-PKOBYXMFSA-N 1 3 331.504 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001421859657 1379254376 /nfs/dbraw/zinc/25/43/76/1379254376.db2.gz DYGJYZSZDOSDLN-SFHVURJKSA-N 1 3 337.483 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001421859657 1379254379 /nfs/dbraw/zinc/25/43/79/1379254379.db2.gz DYGJYZSZDOSDLN-SFHVURJKSA-N 1 3 337.483 2.692 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCc1ccccc1 ZINC001421901032 1379327783 /nfs/dbraw/zinc/32/77/83/1379327783.db2.gz JGMVHZIAJGHPNH-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCc1ccccc1 ZINC001421901032 1379327786 /nfs/dbraw/zinc/32/77/86/1379327786.db2.gz JGMVHZIAJGHPNH-FQEVSTJZSA-N 1 3 345.531 2.884 20 0 EFADHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2F)CC1)N(C)C ZINC001438440721 1388602642 /nfs/dbraw/zinc/60/26/42/1388602642.db2.gz SMZMCEHKLNKYSB-ZHALLVOQSA-N 1 3 349.494 2.725 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)CN(C)C1CCC1 ZINC001421902134 1379330412 /nfs/dbraw/zinc/33/04/12/1379330412.db2.gz KKHSCUBUTSWRQW-AUUYWEPGSA-N 1 3 347.478 2.734 20 0 EFADHO Cc1cccnc1CNC[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001421904995 1379333176 /nfs/dbraw/zinc/33/31/76/1379333176.db2.gz ZDDCQIKIISHWOH-QGZVFWFLSA-N 1 3 346.519 2.591 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCc1sccc1Cl)[NH+](C)C ZINC001421912533 1379342796 /nfs/dbraw/zinc/34/27/96/1379342796.db2.gz ZIEDLPIMABUFIS-DOMZBBRYSA-N 1 3 345.940 2.924 20 0 EFADHO CCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001421964277 1379418635 /nfs/dbraw/zinc/41/86/35/1379418635.db2.gz PHUVFJCOHVRNBI-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1sccc1Cl ZINC001421971630 1379427445 /nfs/dbraw/zinc/42/74/45/1379427445.db2.gz HJUVJHDUHODTJW-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1sccc1Cl ZINC001421971630 1379427453 /nfs/dbraw/zinc/42/74/53/1379427453.db2.gz HJUVJHDUHODTJW-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]2C)c1 ZINC001422054615 1379548918 /nfs/dbraw/zinc/54/89/18/1379548918.db2.gz FGFCTNAOYMVGPN-MJGOQNOKSA-N 1 3 345.531 2.909 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001422122554 1379644879 /nfs/dbraw/zinc/64/48/79/1379644879.db2.gz CPJSEOIGKLSLDT-UONOGXRCSA-N 1 3 337.430 2.640 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC001422122554 1379644883 /nfs/dbraw/zinc/64/48/83/1379644883.db2.gz CPJSEOIGKLSLDT-UONOGXRCSA-N 1 3 337.430 2.640 20 0 EFADHO COc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)c1 ZINC001422132579 1379661262 /nfs/dbraw/zinc/66/12/62/1379661262.db2.gz TWIODMBDQPRTCA-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cccc(F)c1 ZINC001422134189 1379665454 /nfs/dbraw/zinc/66/54/54/1379665454.db2.gz VOOHOFYWRMKOIL-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)C1(N(C)C)CCC1 ZINC001422152087 1379691643 /nfs/dbraw/zinc/69/16/43/1379691643.db2.gz QXSFLMNHCMPFSG-INIZCTEOSA-N 1 3 331.504 2.718 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCCN1C ZINC001422173909 1379725264 /nfs/dbraw/zinc/72/52/64/1379725264.db2.gz HCNRTLLKRSYEDP-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1CCCCN1C ZINC001422173909 1379725269 /nfs/dbraw/zinc/72/52/69/1379725269.db2.gz HCNRTLLKRSYEDP-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001422221811 1379800244 /nfs/dbraw/zinc/80/02/44/1379800244.db2.gz BDSOLZSMCNYHMH-JXFKEZNVSA-N 1 3 345.531 2.967 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001422221811 1379800253 /nfs/dbraw/zinc/80/02/53/1379800253.db2.gz BDSOLZSMCNYHMH-JXFKEZNVSA-N 1 3 345.531 2.967 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001422247431 1379854788 /nfs/dbraw/zinc/85/47/88/1379854788.db2.gz NATWIWWQTUBDDD-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001422247431 1379854792 /nfs/dbraw/zinc/85/47/92/1379854792.db2.gz NATWIWWQTUBDDD-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001422262929 1379879626 /nfs/dbraw/zinc/87/96/26/1379879626.db2.gz BEEKTYIQBRARNV-OALUTQOASA-N 1 3 331.504 2.892 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]C/C(Cl)=C/Cl)CCC1 ZINC001422293550 1379903369 /nfs/dbraw/zinc/90/33/69/1379903369.db2.gz ZHMAIFIWUOYNNS-OIZKETEYSA-N 1 3 348.318 2.664 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2cccnc2)CC1)N(C)C ZINC001422418712 1380064617 /nfs/dbraw/zinc/06/46/17/1380064617.db2.gz GBRQEXIUROWPDD-ACBHZAAOSA-N 1 3 346.519 2.527 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001422504311 1380214560 /nfs/dbraw/zinc/21/45/60/1380214560.db2.gz HMLMVCUFHKBVHQ-MRXNPFEDSA-N 1 3 339.483 2.918 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001422506269 1380218369 /nfs/dbraw/zinc/21/83/69/1380218369.db2.gz QXNNFQRXXZWJHB-GFCCVEGCSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001422515945 1380235290 /nfs/dbraw/zinc/23/52/90/1380235290.db2.gz JCIZJLJRCXXYCX-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001422515945 1380235292 /nfs/dbraw/zinc/23/52/92/1380235292.db2.gz JCIZJLJRCXXYCX-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001422547809 1380296924 /nfs/dbraw/zinc/29/69/24/1380296924.db2.gz SRYPNIGELJGVQK-MLGOLLRUSA-N 1 3 325.522 2.545 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N(C)Cc1cc2ccccc2o1 ZINC001422548510 1380299060 /nfs/dbraw/zinc/29/90/60/1380299060.db2.gz FCVDITMOOACHLO-OAHLLOKOSA-N 1 3 343.471 2.711 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC001422586723 1380372289 /nfs/dbraw/zinc/37/22/89/1380372289.db2.gz UCTQKFHHOFLDRO-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC001422591027 1380385662 /nfs/dbraw/zinc/38/56/62/1380385662.db2.gz PPUSLZRKLNYWOX-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001422591027 1380385663 /nfs/dbraw/zinc/38/56/63/1380385663.db2.gz PPUSLZRKLNYWOX-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001422592575 1380389950 /nfs/dbraw/zinc/38/99/50/1380389950.db2.gz XMPHDOFZVBJRCF-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001422592575 1380389955 /nfs/dbraw/zinc/38/99/55/1380389955.db2.gz XMPHDOFZVBJRCF-PKOBYXMFSA-N 1 3 333.520 2.560 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438533562 1388660679 /nfs/dbraw/zinc/66/06/79/1388660679.db2.gz SLBRRPDOGCPSMC-CABCVRRESA-N 1 3 337.895 2.524 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)CN1CCC(C)CC1)[NH2+]C/C=C/Cl ZINC001422676838 1380564198 /nfs/dbraw/zinc/56/41/98/1380564198.db2.gz OQLNUKGCEFNTIO-HFTQHKIXSA-N 1 3 343.943 2.934 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001422734932 1380733039 /nfs/dbraw/zinc/73/30/39/1380733039.db2.gz RXEZXXGMCFIUNP-QGZVFWFLSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(C)cc2C)C1)N(C)C ZINC001422754903 1380762265 /nfs/dbraw/zinc/76/22/65/1380762265.db2.gz RQLFRZPDOZCYOP-APWZRJJASA-N 1 3 331.504 2.580 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422819715 1380855862 /nfs/dbraw/zinc/85/58/62/1380855862.db2.gz DMJBXQXYBIXSEZ-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CN(C)C/C=C\c1ccccc1)[NH+](C)C ZINC001422823952 1380862548 /nfs/dbraw/zinc/86/25/48/1380862548.db2.gz LKTWNJBRZZVVFW-ZSKKXUIOSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@H](C(=O)N1CCC(N(C)C/C=C\Cl)CC1)[NH+]1CCCCCC1 ZINC001422950061 1381110363 /nfs/dbraw/zinc/11/03/63/1381110363.db2.gz YZZBJPJMCMOBSE-BSDKJSHOSA-N 1 3 341.927 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(C[NH+](Cc3ccc(C)cc3)C2)CC1 ZINC001438622282 1388704529 /nfs/dbraw/zinc/70/45/29/1388704529.db2.gz MYROIPDREBCFKK-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001423077250 1381309405 /nfs/dbraw/zinc/30/94/05/1381309405.db2.gz OGCCPKBMPFJEEE-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438650790 1388719657 /nfs/dbraw/zinc/71/96/57/1388719657.db2.gz KMXAWVKKACHTRI-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)CN(C)CC(C)(C)C)CC2)cc1 ZINC001423282655 1381742148 /nfs/dbraw/zinc/74/21/48/1381742148.db2.gz UXLHSSWSCNBKGI-UHFFFAOYSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccccc3C3CC3)CC2)C1 ZINC001423283102 1381743373 /nfs/dbraw/zinc/74/33/73/1381743373.db2.gz WIJPXJXBDUPSIV-MRXNPFEDSA-N 1 3 341.499 2.644 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](CCCF)CC2CC2)CC1)C1CCC1 ZINC001423338163 1381806709 /nfs/dbraw/zinc/80/67/09/1381806709.db2.gz OKAJXIGGKOUYMJ-UHFFFAOYSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](CCCF)CC2CC2)CC1)C1CCC1 ZINC001423338163 1381806714 /nfs/dbraw/zinc/80/67/14/1381806714.db2.gz OKAJXIGGKOUYMJ-UHFFFAOYSA-N 1 3 339.499 2.533 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001438694776 1388744146 /nfs/dbraw/zinc/74/41/46/1388744146.db2.gz QTBDYSXSUMVZRS-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001423355398 1381835708 /nfs/dbraw/zinc/83/57/08/1381835708.db2.gz WMKNCOYELSLKCX-FQEVSTJZSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001423355398 1381835713 /nfs/dbraw/zinc/83/57/13/1381835713.db2.gz WMKNCOYELSLKCX-FQEVSTJZSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001423355399 1381836593 /nfs/dbraw/zinc/83/65/93/1381836593.db2.gz WMKNCOYELSLKCX-HXUWFJFHSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001423355399 1381836599 /nfs/dbraw/zinc/83/65/99/1381836599.db2.gz WMKNCOYELSLKCX-HXUWFJFHSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001423367562 1381856802 /nfs/dbraw/zinc/85/68/02/1381856802.db2.gz YOOOJCJUYYMFJI-GOEBONIOSA-N 1 3 337.895 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccccc2Cl)C[C@@H]1C ZINC001423367562 1381856806 /nfs/dbraw/zinc/85/68/06/1381856806.db2.gz YOOOJCJUYYMFJI-GOEBONIOSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCCN1CCCF ZINC001423371143 1381864270 /nfs/dbraw/zinc/86/42/70/1381864270.db2.gz JNNALJVPIBBIHA-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001423499731 1381989968 /nfs/dbraw/zinc/98/99/68/1381989968.db2.gz YCCDBFXJAJDCBI-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccccc1Cl ZINC001423499731 1381989975 /nfs/dbraw/zinc/98/99/75/1381989975.db2.gz YCCDBFXJAJDCBI-INIZCTEOSA-N 1 3 337.895 2.762 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2csc(C)c2)CC1 ZINC001423524470 1382014482 /nfs/dbraw/zinc/01/44/82/1382014482.db2.gz MQFNPCYQXXRKFK-UHFFFAOYSA-N 1 3 337.533 2.869 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](CCc2ccccc2F)CC1 ZINC001423527260 1382018832 /nfs/dbraw/zinc/01/88/32/1382018832.db2.gz VHOOYCQIDYICKV-UHFFFAOYSA-N 1 3 349.494 2.681 20 0 EFADHO CCc1cccc(CN2CC[C@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001423576150 1382101252 /nfs/dbraw/zinc/10/12/52/1382101252.db2.gz OKCXTANJDVMKLZ-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423577467 1382104641 /nfs/dbraw/zinc/10/46/41/1382104641.db2.gz COVJZGSBYCCKLB-LJQANCHMSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423577467 1382104645 /nfs/dbraw/zinc/10/46/45/1382104645.db2.gz COVJZGSBYCCKLB-LJQANCHMSA-N 1 3 335.467 2.579 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001423650253 1382224009 /nfs/dbraw/zinc/22/40/09/1382224009.db2.gz ZJTKJPUILHVPCE-UYAOXDASSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001423650250 1382224867 /nfs/dbraw/zinc/22/48/67/1382224867.db2.gz ZJTKJPUILHVPCE-AZUAARDMSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@H+](CCCF)C1)N1CCCCC1 ZINC001423682347 1382279997 /nfs/dbraw/zinc/27/99/97/1382279997.db2.gz DPEBXQKIXJTVGY-LJQANCHMSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)(C(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1)N1CCCCC1 ZINC001423682347 1382280003 /nfs/dbraw/zinc/28/00/03/1382280003.db2.gz DPEBXQKIXJTVGY-LJQANCHMSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@H+](CCCF)C1)N1CCCCC1 ZINC001423682346 1382280091 /nfs/dbraw/zinc/28/00/91/1382280091.db2.gz DPEBXQKIXJTVGY-IBGZPJMESA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)(C(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1)N1CCCCC1 ZINC001423682346 1382280098 /nfs/dbraw/zinc/28/00/98/1382280098.db2.gz DPEBXQKIXJTVGY-IBGZPJMESA-N 1 3 341.515 2.829 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001423692469 1382300619 /nfs/dbraw/zinc/30/06/19/1382300619.db2.gz DOSHENDDAMATJU-UHFFFAOYSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC001423707382 1382329106 /nfs/dbraw/zinc/32/91/06/1382329106.db2.gz YLFOHYWTPKDGEB-HXUWFJFHSA-N 1 3 331.504 2.747 20 0 EFADHO CCCN(C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1 ZINC001423707382 1382329110 /nfs/dbraw/zinc/32/91/10/1382329110.db2.gz YLFOHYWTPKDGEB-HXUWFJFHSA-N 1 3 331.504 2.747 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001423932063 1382514456 /nfs/dbraw/zinc/51/44/56/1382514456.db2.gz XDZNNRIQNXRDPK-PKOBYXMFSA-N 1 3 343.515 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001423952569 1382540403 /nfs/dbraw/zinc/54/04/03/1382540403.db2.gz QQYGZDCPAGFPSS-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)N(C)C ZINC001423964346 1382558821 /nfs/dbraw/zinc/55/88/21/1382558821.db2.gz QWOODCTUEPOOME-RDGPPVDQSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)N(C)C ZINC001423964346 1382558825 /nfs/dbraw/zinc/55/88/25/1382558825.db2.gz QWOODCTUEPOOME-RDGPPVDQSA-N 1 3 335.536 2.732 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]C/C=C\c2ccccc2)C1 ZINC001423965005 1382560369 /nfs/dbraw/zinc/56/03/69/1382560369.db2.gz ZWAXIXAEHUQGRY-HWJGFJICSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1Cc2ccc(CNC(=O)CC3CC[NH+](C)CC3)cc2C1 ZINC001424442164 1383022245 /nfs/dbraw/zinc/02/22/45/1383022245.db2.gz KZOQDCHELADUPW-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C(C)C)cc1 ZINC001438810312 1388833451 /nfs/dbraw/zinc/83/34/51/1388833451.db2.gz WFPSPXUJINQIGL-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)CN(C)C1CCC1)C(C)C ZINC001438811991 1388834999 /nfs/dbraw/zinc/83/49/99/1388834999.db2.gz ZAROHLSMWUGKMG-IBGZPJMESA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001424597485 1383202812 /nfs/dbraw/zinc/20/28/12/1383202812.db2.gz YTJKFXZKCWABPY-AHIWAGSCSA-N 1 3 341.446 2.850 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCC1)C1CCC1 ZINC001424715542 1383289771 /nfs/dbraw/zinc/28/97/71/1383289771.db2.gz XYSPHTJQXGWRQG-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1)C1CCC1 ZINC001424715542 1383289774 /nfs/dbraw/zinc/28/97/74/1383289774.db2.gz XYSPHTJQXGWRQG-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001424856168 1383426196 /nfs/dbraw/zinc/42/61/96/1383426196.db2.gz UNFZUHLCLIIJIM-MHJFOBGBSA-N 1 3 345.531 2.929 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001425509858 1383674722 /nfs/dbraw/zinc/67/47/22/1383674722.db2.gz OOARFWIZMZPJFF-IBGZPJMESA-N 1 3 340.471 2.596 20 0 EFADHO CN(CC[N@H+](C)CC1CCC(F)(F)CC1)C(=O)CN(C)C1CCC1 ZINC001438883996 1388888286 /nfs/dbraw/zinc/88/82/86/1388888286.db2.gz SDOUCRPKTRJURS-UHFFFAOYSA-N 1 3 345.478 2.686 20 0 EFADHO CN(CC[N@@H+](C)CC1CCC(F)(F)CC1)C(=O)CN(C)C1CCC1 ZINC001438883996 1388888290 /nfs/dbraw/zinc/88/82/90/1388888290.db2.gz SDOUCRPKTRJURS-UHFFFAOYSA-N 1 3 345.478 2.686 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001438911339 1388910735 /nfs/dbraw/zinc/91/07/35/1388910735.db2.gz SKBMSQVDYGYKRC-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001438911339 1388910736 /nfs/dbraw/zinc/91/07/36/1388910736.db2.gz SKBMSQVDYGYKRC-KRWDZBQOSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C(=O)NCC1([NH+](C)C)CCCCCC1)[C@H]1CCN(C)C1 ZINC001426543064 1384405389 /nfs/dbraw/zinc/40/53/89/1384405389.db2.gz UDIIHCUVJITNGH-KRWDZBQOSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001426871223 1384606658 /nfs/dbraw/zinc/60/66/58/1384606658.db2.gz MQQVIPAJEZLWET-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC001426871223 1384606662 /nfs/dbraw/zinc/60/66/62/1384606662.db2.gz MQQVIPAJEZLWET-QZTJIDSGSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[C@@H](CNC(=O)NC[C@H]1CCCCN1C)[NH+]1CCCCCC1 ZINC001428358227 1385416606 /nfs/dbraw/zinc/41/66/06/1385416606.db2.gz XTFVJDJXPOKQET-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001439256849 1389077441 /nfs/dbraw/zinc/07/74/41/1389077441.db2.gz YSMWUPOSFPSEHO-KKXDTOCCSA-N 1 3 335.467 2.638 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001439256458 1389077756 /nfs/dbraw/zinc/07/77/56/1389077756.db2.gz WMFQSMYXBSLBEB-NHYWBVRUSA-N 1 3 346.302 2.928 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(CF)cc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001439349575 1389174876 /nfs/dbraw/zinc/17/48/76/1389174876.db2.gz UDCSAFVSQUASAR-INIZCTEOSA-N 1 3 347.478 2.721 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001439371696 1389202563 /nfs/dbraw/zinc/20/25/63/1389202563.db2.gz SFBNOPISLGABBT-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001439371696 1389202567 /nfs/dbraw/zinc/20/25/67/1389202567.db2.gz SFBNOPISLGABBT-MJGOQNOKSA-N 1 3 331.504 2.745 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(CC)cc2)C1 ZINC001439908592 1389353662 /nfs/dbraw/zinc/35/36/62/1389353662.db2.gz YIOWECIOVINVGL-NRFANRHFSA-N 1 3 345.531 2.919 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001440217077 1389446281 /nfs/dbraw/zinc/44/62/81/1389446281.db2.gz FVWZWTHMRJNRQJ-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001440287621 1389506000 /nfs/dbraw/zinc/50/60/00/1389506000.db2.gz DFRACASZGKKHAQ-RLFYNMQTSA-N 1 3 347.478 2.855 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001440317629 1389529217 /nfs/dbraw/zinc/52/92/17/1389529217.db2.gz DFPBEBSWCHIYLO-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001440360014 1389564298 /nfs/dbraw/zinc/56/42/98/1389564298.db2.gz WJEBDNURXBNDMO-GUDVDZBRSA-N 1 3 349.494 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001440375318 1389575771 /nfs/dbraw/zinc/57/57/71/1389575771.db2.gz UVWFRHDITMFHPA-FRFSOERESA-N 1 3 326.444 2.506 20 0 EFADHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001440477560 1389684407 /nfs/dbraw/zinc/68/44/07/1389684407.db2.gz DEXAGENTOQIJGN-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1ccccc1F)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001440477560 1389684409 /nfs/dbraw/zinc/68/44/09/1389684409.db2.gz DEXAGENTOQIJGN-JKSUJKDBSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001440651366 1389798629 /nfs/dbraw/zinc/79/86/29/1389798629.db2.gz TVLZZOSEVXQDIR-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1 ZINC001440651366 1389798633 /nfs/dbraw/zinc/79/86/33/1389798633.db2.gz TVLZZOSEVXQDIR-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001440665482 1389807217 /nfs/dbraw/zinc/80/72/17/1389807217.db2.gz XVIREYJHRIDRMA-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCc1ccccc1 ZINC001440983714 1390075554 /nfs/dbraw/zinc/07/55/54/1390075554.db2.gz HIKRHBXADXHYNS-QUCCMNQESA-N 1 3 345.531 2.930 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001441186565 1391168036 /nfs/dbraw/zinc/16/80/36/1391168036.db2.gz SYERHTHZRLYOLJ-QGZVFWFLSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)CC3CC[NH+](C)CC3)C2)cc1 ZINC001441189459 1391169604 /nfs/dbraw/zinc/16/96/04/1391169604.db2.gz URJHBGWCBVZYSN-KRWDZBQOSA-N 1 3 343.515 2.663 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001441279530 1391228502 /nfs/dbraw/zinc/22/85/02/1391228502.db2.gz ADHULOKGMVXLON-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001441279530 1391228504 /nfs/dbraw/zinc/22/85/04/1391228504.db2.gz ADHULOKGMVXLON-GOSISDBHSA-N 1 3 349.494 2.838 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCCc2ccsc2)CC1 ZINC001441387523 1391277230 /nfs/dbraw/zinc/27/72/30/1391277230.db2.gz OVEYGPYCKBQDHQ-GOSISDBHSA-N 1 3 349.544 2.698 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCCc2ccsc2)CC1 ZINC001441387523 1391277233 /nfs/dbraw/zinc/27/72/33/1391277233.db2.gz OVEYGPYCKBQDHQ-GOSISDBHSA-N 1 3 349.544 2.698 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001441394705 1391281172 /nfs/dbraw/zinc/28/11/72/1391281172.db2.gz RTOVPVYEBZLVOR-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2C)CC1 ZINC001441394705 1391281177 /nfs/dbraw/zinc/28/11/77/1391281177.db2.gz RTOVPVYEBZLVOR-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001441433036 1391300739 /nfs/dbraw/zinc/30/07/39/1391300739.db2.gz MRUSFCGBCRKXRM-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1F ZINC001441551849 1391360794 /nfs/dbraw/zinc/36/07/94/1391360794.db2.gz ZVGRQSDZAKALAR-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001441625560 1391391818 /nfs/dbraw/zinc/39/18/18/1391391818.db2.gz YLBNQZFERUBVSZ-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001441729850 1391409914 /nfs/dbraw/zinc/40/99/14/1391409914.db2.gz MEQLHZZGOIZNPJ-UHFFFAOYSA-N 1 3 343.515 2.996 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001441761652 1391414224 /nfs/dbraw/zinc/41/42/24/1391414224.db2.gz TVKYLCZCWRYJJW-UHFFFAOYSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001445045246 1391518268 /nfs/dbraw/zinc/51/82/68/1391518268.db2.gz DMOKREQFHCVALH-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001445045246 1391518273 /nfs/dbraw/zinc/51/82/73/1391518273.db2.gz DMOKREQFHCVALH-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001446941031 1391641521 /nfs/dbraw/zinc/64/15/21/1391641521.db2.gz HPSNPMOMEMZGSW-FUHWJXTLSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001447968162 1391863894 /nfs/dbraw/zinc/86/38/94/1391863894.db2.gz DIVXOVKWIFUYJU-UHFFFAOYSA-N 1 3 328.460 2.535 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCCC1)N(C)C ZINC001447976621 1391868811 /nfs/dbraw/zinc/86/88/11/1391868811.db2.gz XKOCUAUIZJJHIW-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@H+](C)C/C=C/c1ccccc1 ZINC001448043341 1391914408 /nfs/dbraw/zinc/91/44/08/1391914408.db2.gz NIOIMWDAQLZLLX-VGMNTSGFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001448043341 1391914411 /nfs/dbraw/zinc/91/44/11/1391914411.db2.gz NIOIMWDAQLZLLX-VGMNTSGFSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001448675572 1392162851 /nfs/dbraw/zinc/16/28/51/1392162851.db2.gz HINNNXBOOFDHLA-HUUCEWRRSA-N 1 3 335.467 2.808 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001448675752 1392163833 /nfs/dbraw/zinc/16/38/33/1392163833.db2.gz HUANCLIQZIQJSU-LSDHHAIUSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C[C@@H]1C ZINC001449016876 1392208592 /nfs/dbraw/zinc/20/85/92/1392208592.db2.gz QBEDGJAEHKFWKG-RDJZCZTQSA-N 1 3 343.471 2.854 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507088372 1406686491 /nfs/dbraw/zinc/68/64/91/1406686491.db2.gz IQIPINXPTGSODT-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001507089228 1406686673 /nfs/dbraw/zinc/68/66/73/1406686673.db2.gz LURZWMUHLDABNU-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001507089387 1406688340 /nfs/dbraw/zinc/68/83/40/1406688340.db2.gz MYKSYOXALRYCJX-SDMNGIDPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001460624237 1396238260 /nfs/dbraw/zinc/23/82/60/1396238260.db2.gz ACGYSBMMICOABJ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC001461122066 1396291370 /nfs/dbraw/zinc/29/13/70/1396291370.db2.gz QWWBDOSXDRMKEC-HNNXBMFYSA-N 1 3 328.460 2.907 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC001462473752 1396437339 /nfs/dbraw/zinc/43/73/39/1396437339.db2.gz AUSKMQGJKURYAJ-WBFXSEPVSA-N 1 3 336.520 2.957 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001470298162 1397084541 /nfs/dbraw/zinc/08/45/41/1397084541.db2.gz RETYPCAQJCRQHE-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001470777003 1397121022 /nfs/dbraw/zinc/12/10/22/1397121022.db2.gz SITFFRWBJFLWBI-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)(C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC001470777003 1397121028 /nfs/dbraw/zinc/12/10/28/1397121028.db2.gz SITFFRWBJFLWBI-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCN(C2CC2)C1 ZINC001472573258 1397262126 /nfs/dbraw/zinc/26/21/26/1397262126.db2.gz VEDNNAYBMRCQNG-VDGAXYAQSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CCN(C2CC2)C1 ZINC001472573258 1397262130 /nfs/dbraw/zinc/26/21/30/1397262130.db2.gz VEDNNAYBMRCQNG-VDGAXYAQSA-N 1 3 341.499 2.622 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)N(C)C)cc1 ZINC001477472721 1397535854 /nfs/dbraw/zinc/53/58/54/1397535854.db2.gz USTINBWFSWOUCV-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C)N(C)C)cc1 ZINC001477472721 1397535858 /nfs/dbraw/zinc/53/58/58/1397535858.db2.gz USTINBWFSWOUCV-OALUTQOASA-N 1 3 346.519 2.635 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1cc(C)ccc1C ZINC001479257314 1397647434 /nfs/dbraw/zinc/64/74/34/1397647434.db2.gz POBJBUXRKWFSNG-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1cc(C)ccc1C ZINC001479257314 1397647441 /nfs/dbraw/zinc/64/74/41/1397647441.db2.gz POBJBUXRKWFSNG-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001479320184 1397682971 /nfs/dbraw/zinc/68/29/71/1397682971.db2.gz BDKNCUSSFRAPGN-RAUXBKROSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001479338673 1397693019 /nfs/dbraw/zinc/69/30/19/1397693019.db2.gz QSBQCESQKNDXLW-RKVPGOIHSA-N 1 3 335.467 2.713 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001479338297 1397693098 /nfs/dbraw/zinc/69/30/98/1397693098.db2.gz NITAZZWUCSGBDD-MSEWRSJXSA-N 1 3 343.515 2.502 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001479410122 1397718549 /nfs/dbraw/zinc/71/85/49/1397718549.db2.gz BJJMZLMIQFUFNE-RANZSIQMSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001479411025 1397718848 /nfs/dbraw/zinc/71/88/48/1397718848.db2.gz UTBIXKMFXJSWHQ-QAQDUYKDSA-N 1 3 340.471 2.562 20 0 EFADHO C[C@@H]([NH2+]CCc1ccccc1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001479828782 1397923496 /nfs/dbraw/zinc/92/34/96/1397923496.db2.gz FCPWCUHTPUCTKE-APWZRJJASA-N 1 3 340.471 2.554 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC(F)(F)F ZINC001479833470 1397928084 /nfs/dbraw/zinc/92/80/84/1397928084.db2.gz JNIWRRBNQCIKMD-KGLIPLIRSA-N 1 3 337.430 2.640 20 0 EFADHO COc1cc(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)ccc1C ZINC001480536398 1398197661 /nfs/dbraw/zinc/19/76/61/1398197661.db2.gz GWMZVRJODMXENX-MRXNPFEDSA-N 1 3 349.519 2.576 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001480576202 1398220325 /nfs/dbraw/zinc/22/03/25/1398220325.db2.gz ABOZYAUEAUBYLA-SUMWQHHRSA-N 1 3 337.895 2.763 20 0 EFADHO Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001480623883 1398253829 /nfs/dbraw/zinc/25/38/29/1398253829.db2.gz VZTWNZVWQVFHSJ-VQTJNVASSA-N 1 3 345.531 2.704 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001480709756 1398301448 /nfs/dbraw/zinc/30/14/48/1398301448.db2.gz SVHASMYMFIHJGN-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001480709754 1398301564 /nfs/dbraw/zinc/30/15/64/1398301564.db2.gz SVHASMYMFIHJGN-RBUKOAKNSA-N 1 3 331.504 2.854 20 0 EFADHO CCN(C/C=C\c1ccccc1)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001493027257 1398373421 /nfs/dbraw/zinc/37/34/21/1398373421.db2.gz DYEJVWJDBVDZGE-YFHOEESVSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001493135265 1398470690 /nfs/dbraw/zinc/47/06/90/1398470690.db2.gz HVEPUNNLQXNHDS-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001493135265 1398470686 /nfs/dbraw/zinc/47/06/86/1398470686.db2.gz HVEPUNNLQXNHDS-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001493241075 1398557616 /nfs/dbraw/zinc/55/76/16/1398557616.db2.gz ZEGMTCLOILMBIS-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CN(CC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1)CC(C)(C)C ZINC001493241075 1398557620 /nfs/dbraw/zinc/55/76/20/1398557620.db2.gz ZEGMTCLOILMBIS-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001493266484 1398575167 /nfs/dbraw/zinc/57/51/67/1398575167.db2.gz GGSAOMKUEGAKTP-GOSISDBHSA-N 1 3 347.478 2.640 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCCN(Cc1ccccc1)C1CC1 ZINC001493450915 1398717241 /nfs/dbraw/zinc/71/72/41/1398717241.db2.gz WOPDRXFQXVEKQD-UHFFFAOYSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001493579590 1398761000 /nfs/dbraw/zinc/76/10/00/1398761000.db2.gz NYVVCKYHAFIZAS-CYBMUJFWSA-N 1 3 339.430 2.558 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001493696278 1398815070 /nfs/dbraw/zinc/81/50/70/1398815070.db2.gz RWBQFGFBQOKFLU-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H](NCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1Cl ZINC001493696278 1398815077 /nfs/dbraw/zinc/81/50/77/1398815077.db2.gz RWBQFGFBQOKFLU-LSDHHAIUSA-N 1 3 337.895 2.791 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794192 1398888465 /nfs/dbraw/zinc/88/84/65/1398888465.db2.gz SSUMANAOACCQRL-TZMCWYRMSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@@H](NCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794192 1398888468 /nfs/dbraw/zinc/88/84/68/1398888468.db2.gz SSUMANAOACCQRL-TZMCWYRMSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794190 1398888529 /nfs/dbraw/zinc/88/85/29/1398888529.db2.gz SSUMANAOACCQRL-JSGCOSHPSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@H](NCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001493794190 1398888532 /nfs/dbraw/zinc/88/85/32/1398888532.db2.gz SSUMANAOACCQRL-JSGCOSHPSA-N 1 3 341.858 2.540 20 0 EFADHO C[C@@H]([NH2+]CCF)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001493849494 1398921607 /nfs/dbraw/zinc/92/16/07/1398921607.db2.gz JMSBENQBZAZXSA-OAHLLOKOSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001494054569 1399094843 /nfs/dbraw/zinc/09/48/43/1399094843.db2.gz KQTCJFVVOZMWMS-FZTBYCBGSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001494054569 1399094846 /nfs/dbraw/zinc/09/48/46/1399094846.db2.gz KQTCJFVVOZMWMS-FZTBYCBGSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001494054565 1399095062 /nfs/dbraw/zinc/09/50/62/1399095062.db2.gz KQTCJFVVOZMWMS-BNLMJFGMSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)N(C)C ZINC001494054565 1399095066 /nfs/dbraw/zinc/09/50/66/1399095066.db2.gz KQTCJFVVOZMWMS-BNLMJFGMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001494077123 1399116168 /nfs/dbraw/zinc/11/61/68/1399116168.db2.gz UHGYWFHFJKITMU-DOTOQJQBSA-N 1 3 334.508 2.771 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001494077123 1399116172 /nfs/dbraw/zinc/11/61/72/1399116172.db2.gz UHGYWFHFJKITMU-DOTOQJQBSA-N 1 3 334.508 2.771 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137412 1399159668 /nfs/dbraw/zinc/15/96/68/1399159668.db2.gz MEOWWAFVPIKBKC-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001494137412 1399159672 /nfs/dbraw/zinc/15/96/72/1399159672.db2.gz MEOWWAFVPIKBKC-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001494558325 1399378143 /nfs/dbraw/zinc/37/81/43/1399378143.db2.gz CXVHCFSBAPXIPN-IAGOWNOFSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001494557467 1399378691 /nfs/dbraw/zinc/37/86/91/1399378691.db2.gz ONAJFADNHAEQCA-APWZRJJASA-N 1 3 349.494 2.784 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001494994058 1399593572 /nfs/dbraw/zinc/59/35/72/1399593572.db2.gz GMDGHDUBIBOGNM-INIZCTEOSA-N 1 3 337.895 2.809 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001495099139 1399663784 /nfs/dbraw/zinc/66/37/84/1399663784.db2.gz RCKGVAQXNDRQDC-MRXNPFEDSA-N 1 3 334.508 2.961 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccccc3F)CCCC2)CC[N@@H+]1C ZINC001495160447 1399706368 /nfs/dbraw/zinc/70/63/68/1399706368.db2.gz GYSKVMGGQXIWLW-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC2(CNCc3ccccc3F)CCCC2)CC[N@H+]1C ZINC001495160447 1399706374 /nfs/dbraw/zinc/70/63/74/1399706374.db2.gz GYSKVMGGQXIWLW-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(C)c1 ZINC001495679681 1400160653 /nfs/dbraw/zinc/16/06/53/1400160653.db2.gz JFYISTWFBZENPL-IEBWSBKVSA-N 1 3 331.504 2.711 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1sccc1Cl ZINC001495685138 1400165181 /nfs/dbraw/zinc/16/51/81/1400165181.db2.gz OTUAXZKHGDLUDX-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3ccccc3)CCCC2)CCC1 ZINC001495918052 1400354277 /nfs/dbraw/zinc/35/42/77/1400354277.db2.gz BWLLULPAOSJOOZ-UHFFFAOYSA-N 1 3 329.488 2.690 20 0 EFADHO CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001495968040 1400388966 /nfs/dbraw/zinc/38/89/66/1400388966.db2.gz APDXYUQNZACRHO-OOFWQKGWSA-N 1 3 333.520 2.751 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001496078144 1400456873 /nfs/dbraw/zinc/45/68/73/1400456873.db2.gz GYZBFOXMYPQHBO-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001496082557 1400461239 /nfs/dbraw/zinc/46/12/39/1400461239.db2.gz SRXLWTIZKNMRGK-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]C/C=C/Cl ZINC001496370096 1400679077 /nfs/dbraw/zinc/67/90/77/1400679077.db2.gz MPZJITWGYFOWMO-QYNAMDDNSA-N 1 3 349.906 2.941 20 0 EFADHO CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001496463581 1400747819 /nfs/dbraw/zinc/74/78/19/1400747819.db2.gz SGOBEPABFYFVBY-APWZRJJASA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001496708201 1400933843 /nfs/dbraw/zinc/93/38/43/1400933843.db2.gz WVRHSUHIMNGYDO-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC001496708201 1400933847 /nfs/dbraw/zinc/93/38/47/1400933847.db2.gz WVRHSUHIMNGYDO-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496781349 1400979492 /nfs/dbraw/zinc/97/94/92/1400979492.db2.gz NXNXJMFLMZCINA-GOSISDBHSA-N 1 3 345.531 2.660 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)CCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001496781349 1400979498 /nfs/dbraw/zinc/97/94/98/1400979498.db2.gz NXNXJMFLMZCINA-GOSISDBHSA-N 1 3 345.531 2.660 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@@H](CCN2C/C=C\Cl)C1 ZINC001496865181 1401060106 /nfs/dbraw/zinc/06/01/06/1401060106.db2.gz BUMBRYXYPFZXNZ-HBKWROQRSA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001497204345 1401218031 /nfs/dbraw/zinc/21/80/31/1401218031.db2.gz BWMYKAANICOZEW-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCc2c1cccc2F)NC(=O)CN(C)C1CCC1 ZINC001497204813 1401218173 /nfs/dbraw/zinc/21/81/73/1401218173.db2.gz GLBKETVOSINBRC-AUUYWEPGSA-N 1 3 347.478 2.782 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001497361351 1401326842 /nfs/dbraw/zinc/32/68/42/1401326842.db2.gz DGNSSMVWDOENRT-OALUTQOASA-N 1 3 329.488 2.596 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001497361350 1401326877 /nfs/dbraw/zinc/32/68/77/1401326877.db2.gz DGNSSMVWDOENRT-MOPGFXCFSA-N 1 3 329.488 2.596 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)CN1CC[C@@H](C)C1 ZINC001497453736 1401386506 /nfs/dbraw/zinc/38/65/06/1401386506.db2.gz FQVKPTPNMFABJH-AEFFLSMTSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001497485242 1401410249 /nfs/dbraw/zinc/41/02/49/1401410249.db2.gz CMUMITZBTYUALE-SFHVURJKSA-N 1 3 335.467 2.593 20 0 EFADHO CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001497611260 1401492647 /nfs/dbraw/zinc/49/26/47/1401492647.db2.gz NFQSLYPHJCSYAG-OLHLWXQYSA-N 1 3 331.504 2.714 20 0 EFADHO CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001497834145 1401684691 /nfs/dbraw/zinc/68/46/91/1401684691.db2.gz YYVZASUGHYKISZ-OLMNPRSZSA-N 1 3 337.483 2.957 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001498043043 1401825471 /nfs/dbraw/zinc/82/54/71/1401825471.db2.gz CCLJGLIRLNMJFQ-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001498117928 1401864547 /nfs/dbraw/zinc/86/45/47/1401864547.db2.gz LLSQVEBQBXGIOH-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO C[C@H]([NH2+]C[C@@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1 ZINC001498769581 1402278248 /nfs/dbraw/zinc/27/82/48/1402278248.db2.gz IRGZKUSIMAYQNV-HNAYVOBHSA-N 1 3 329.488 2.716 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001498770778 1402279152 /nfs/dbraw/zinc/27/91/52/1402279152.db2.gz QRUFGCLYJFJPCK-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001499248449 1402537456 /nfs/dbraw/zinc/53/74/56/1402537456.db2.gz HYSPYCPJVCVBSO-UHFFFAOYSA-N 1 3 329.488 2.526 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001499370902 1402586346 /nfs/dbraw/zinc/58/63/46/1402586346.db2.gz DMUJTBWJKDDYNW-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001499522993 1402659965 /nfs/dbraw/zinc/65/99/65/1402659965.db2.gz IMUSVPBWGCXJAI-GOSISDBHSA-N 1 3 341.515 2.971 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001499522993 1402659968 /nfs/dbraw/zinc/65/99/68/1402659968.db2.gz IMUSVPBWGCXJAI-GOSISDBHSA-N 1 3 341.515 2.971 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC(C)C1)C2 ZINC001499577523 1402696222 /nfs/dbraw/zinc/69/62/22/1402696222.db2.gz WTMQCZCQGNYLNY-QLOJAFMTSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC(C)C1)C2 ZINC001499577523 1402696225 /nfs/dbraw/zinc/69/62/25/1402696225.db2.gz WTMQCZCQGNYLNY-QLOJAFMTSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccc(C[NH+]2CCC(C)(NC(=O)CN(C)C3CCC3)CC2)cc1 ZINC001499985220 1402882573 /nfs/dbraw/zinc/88/25/73/1402882573.db2.gz LPTSJCLWIXGGHI-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001500451163 1403131290 /nfs/dbraw/zinc/13/12/90/1403131290.db2.gz AMWDAXWVDBUMEE-QGZVFWFLSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC001508146034 1407314158 /nfs/dbraw/zinc/31/41/58/1407314158.db2.gz SKTRFNMJPHFNPL-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CC(C)C2)CC1 ZINC001501190320 1403484457 /nfs/dbraw/zinc/48/44/57/1403484457.db2.gz WXZVOWVJIZRCDN-XHWXXILGSA-N 1 3 346.519 2.819 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001501604266 1403643592 /nfs/dbraw/zinc/64/35/92/1403643592.db2.gz NVVFYHANFZVJDV-QFBILLFUSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001501712337 1403739074 /nfs/dbraw/zinc/73/90/74/1403739074.db2.gz MRILNSZECSSUMO-QAQDUYKDSA-N 1 3 325.541 2.885 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001502125709 1404018079 /nfs/dbraw/zinc/01/80/79/1404018079.db2.gz IYPPIDRISZLUNY-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN(C)C3CCC3)CC2)c1 ZINC001502125709 1404018083 /nfs/dbraw/zinc/01/80/83/1404018083.db2.gz IYPPIDRISZLUNY-IBGZPJMESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)cc1F ZINC001502345654 1404087265 /nfs/dbraw/zinc/08/72/65/1404087265.db2.gz HFNCGIZYIOYRSX-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)cc1F ZINC001502345654 1404087273 /nfs/dbraw/zinc/08/72/73/1404087273.db2.gz HFNCGIZYIOYRSX-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001502532536 1404224379 /nfs/dbraw/zinc/22/43/79/1404224379.db2.gz SJBZDWIYTWBBAT-FQEVSTJZSA-N 1 3 343.515 2.816 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCc1ccc2c(c1)CN(CC1CC1)C2 ZINC001502653775 1404290899 /nfs/dbraw/zinc/29/08/99/1404290899.db2.gz ZIKBRGLLOIESGK-UHFFFAOYSA-N 1 3 341.499 2.904 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502741858 1404320693 /nfs/dbraw/zinc/32/06/93/1404320693.db2.gz MMTHPRDQPGVCLG-HKUYNNGSSA-N 1 3 345.531 2.909 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccn1 ZINC001505849947 1405140518 /nfs/dbraw/zinc/14/05/18/1405140518.db2.gz FGLFKISSMABFBK-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001505935985 1405248623 /nfs/dbraw/zinc/24/86/23/1405248623.db2.gz SCYCWDHCPNOVRY-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001505935985 1405248629 /nfs/dbraw/zinc/24/86/29/1405248629.db2.gz SCYCWDHCPNOVRY-QGZVFWFLSA-N 1 3 331.504 2.724 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cnccc1C ZINC001506577673 1405996424 /nfs/dbraw/zinc/99/64/24/1405996424.db2.gz BEASIZKPRXDGQY-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cnccc1C ZINC001506577673 1405996433 /nfs/dbraw/zinc/99/64/33/1405996433.db2.gz BEASIZKPRXDGQY-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CCCC2CCCC2)C1 ZINC001506627327 1406062978 /nfs/dbraw/zinc/06/29/78/1406062978.db2.gz PRRASENZRQPAQK-MRXNPFEDSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1[NH2+]C1CCN(CCC(C)C)CC1 ZINC001551225127 1413960302 /nfs/dbraw/zinc/96/03/02/1413960302.db2.gz CFUDOVOJMUZHBX-QUCCMNQESA-N 1 3 348.535 2.967 20 0 EFADHO CC(C)(C)n1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001551237286 1413968109 /nfs/dbraw/zinc/96/81/09/1413968109.db2.gz BYZARNFJEUPWAO-UHFFFAOYSA-N 1 3 334.508 2.761 20 0 EFADHO Cn1cc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)c(C(C)(C)C)n1 ZINC001551238498 1413969544 /nfs/dbraw/zinc/96/95/44/1413969544.db2.gz WVLYGDGPLRVIOF-UHFFFAOYSA-N 1 3 348.535 2.841 20 0 EFADHO Cc1ncc([C@@H](C)[NH2+]C2CCC(C)(N3CCOCC3)CC2)c(C)n1 ZINC001551238367 1413969881 /nfs/dbraw/zinc/96/98/81/1413969881.db2.gz JPVLFBSGYPDTAW-LSJNQWAISA-N 1 3 332.492 2.778 20 0 EFADHO CCN(C)c1ccc(C[NH2+]C2CCC(C)(N3CCOCC3)CC2)cn1 ZINC001551238561 1413970157 /nfs/dbraw/zinc/97/01/57/1413970157.db2.gz ZKTJKKBPTKJAEX-UHFFFAOYSA-N 1 3 346.519 2.661 20 0 EFADHO Cc1ccc2oc(=O)n(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@H]4C3)c2c1 ZINC001551380683 1414049418 /nfs/dbraw/zinc/04/94/18/1414049418.db2.gz DWFXOGJVQCSKCK-JYJNAYRXSA-N 1 3 329.444 2.523 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3cnc(-c4ccccc4)n3)C[C@@H]2C1 ZINC001551382077 1414051220 /nfs/dbraw/zinc/05/12/20/1414051220.db2.gz LVNWEEKAYOLACW-OKZBNKHCSA-N 1 3 325.460 2.565 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2COC[C@@H]2c2ccccc2)CC1 ZINC001551398439 1414061173 /nfs/dbraw/zinc/06/11/73/1414061173.db2.gz DLUHVABSNRHTKD-YZDRJCRTSA-N 1 3 344.499 2.792 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H](N)[C@H](c2cn(C)cn2)C1 ZINC001551404550 1414064807 /nfs/dbraw/zinc/06/48/07/1414064807.db2.gz ZEFHGFKGUPIISF-CABCVRRESA-N 1 3 338.377 2.674 20 0 EFADHO Cc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H](N)[C@H](c2cn(C)cn2)C1 ZINC001551404550 1414064816 /nfs/dbraw/zinc/06/48/16/1414064816.db2.gz ZEFHGFKGUPIISF-CABCVRRESA-N 1 3 338.377 2.674 20 0 EFADHO CN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC001551890922 1414266780 /nfs/dbraw/zinc/26/67/80/1414266780.db2.gz WAHQEEUHDZBYJJ-UHFFFAOYSA-N 1 3 340.471 2.990 20 0 EFADHO CN(C(=O)c1cccc(CN2CCCC2)c1)C1CC[NH+](C2CC2)CC1 ZINC001551893927 1414267875 /nfs/dbraw/zinc/26/78/75/1414267875.db2.gz MLYYZOOWPYLANJ-UHFFFAOYSA-N 1 3 341.499 2.981 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@@H]3C[C@@H](Oc4ccccc4)C3(C)C)c2C1 ZINC001552256395 1414395629 /nfs/dbraw/zinc/39/56/29/1414395629.db2.gz KUPDYBNOBNCWDU-RTBURBONSA-N 1 3 340.471 2.664 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C3(CCCCC3)C2)CCN(C2CC2)C1 ZINC001552294258 1414407836 /nfs/dbraw/zinc/40/78/36/1414407836.db2.gz XFIMKWOMUQDFGX-DLBZAZTESA-N 1 3 348.535 2.567 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552375042 1414443002 /nfs/dbraw/zinc/44/30/02/1414443002.db2.gz FOAVOZKRIQRFMS-APWZRJJASA-N 1 3 334.508 2.598 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC001552377698 1414443914 /nfs/dbraw/zinc/44/39/14/1414443914.db2.gz DENQCRUBILLTMU-SFNKJDCFSA-N 1 3 334.508 2.833 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@@H]1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001552523858 1414477408 /nfs/dbraw/zinc/47/74/08/1414477408.db2.gz HNXFDRJBQRTCPH-WSTZPKSXSA-N 1 3 346.519 2.838 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001552525902 1414479383 /nfs/dbraw/zinc/47/93/83/1414479383.db2.gz IJUDGGMYCWUUKS-JRBPQWBISA-N 1 3 346.519 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@@H]1C[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1 ZINC001552525902 1414479385 /nfs/dbraw/zinc/47/93/85/1414479385.db2.gz IJUDGGMYCWUUKS-JRBPQWBISA-N 1 3 346.519 2.787 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001552831925 1414577626 /nfs/dbraw/zinc/57/76/26/1414577626.db2.gz QEGQVJBPHZJLNF-DYXWJJEUSA-N 1 3 341.499 2.862 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001552922536 1414604825 /nfs/dbraw/zinc/60/48/25/1414604825.db2.gz JIWKDQVNHVVVFL-WMZOPIPTSA-N 1 3 327.472 2.792 20 0 EFADHO O=C(N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cc2c(s1)CCNC2 ZINC001552926385 1414606943 /nfs/dbraw/zinc/60/69/43/1414606943.db2.gz WVHNSZCELQNEHP-CQSZACIVSA-N 1 3 333.501 2.579 20 0 EFADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2NCc1cnn2c1C[N@H+](C)CC2 ZINC001552972696 1414627444 /nfs/dbraw/zinc/62/74/44/1414627444.db2.gz PFJGEFMZTFKYOP-LIRRHRJNSA-N 1 3 340.471 2.750 20 0 EFADHO COc1ccc2c(c1)C[C@H](C)C[C@@H]2NCc1cnn2c1C[N@@H+](C)CC2 ZINC001552972696 1414627447 /nfs/dbraw/zinc/62/74/47/1414627447.db2.gz PFJGEFMZTFKYOP-LIRRHRJNSA-N 1 3 340.471 2.750 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@@H]2[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC001553024364 1414648115 /nfs/dbraw/zinc/64/81/15/1414648115.db2.gz ZNOULFTZEUSQKZ-RRFJBIMHSA-N 1 3 333.442 2.627 20 0 EFADHO Cc1cccn2c(CNCc3cccc(OCC[NH+](C)C)c3)cnc12 ZINC001560273133 1415272606 /nfs/dbraw/zinc/27/26/06/1415272606.db2.gz AGUXFBIPFIPZIO-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001566593463 1415677758 /nfs/dbraw/zinc/67/77/58/1415677758.db2.gz BAQFSRGZBNEGSN-LJQANCHMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](CCCNC(=O)[C@H]1CCCN1C)C1CC1 ZINC001566593463 1415677763 /nfs/dbraw/zinc/67/77/63/1415677763.db2.gz BAQFSRGZBNEGSN-LJQANCHMSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001567146892 1415952590 /nfs/dbraw/zinc/95/25/90/1415952590.db2.gz FCNDWTOBFFPFMA-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001568097214 1416408865 /nfs/dbraw/zinc/40/88/65/1416408865.db2.gz ZQWFNSNKNZZYHI-SFHVURJKSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C(=O)CN1CCCC2(CC[NH2+]CC2)C1)c1ccccc1 ZINC001645878343 1416578407 /nfs/dbraw/zinc/57/84/07/1416578407.db2.gz WVZOJLHHQYJFIC-UHFFFAOYSA-N 1 3 329.488 2.894 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)C3CCCCC3)C2)CC1 ZINC001645892710 1416581448 /nfs/dbraw/zinc/58/14/48/1416581448.db2.gz KEQAARKSAAXLHY-HKUYNNGSSA-N 1 3 335.536 2.865 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CCc2cccs2)C1 ZINC001690479387 1417216620 /nfs/dbraw/zinc/21/66/20/1417216620.db2.gz FWGIEDPSHPHMRW-IAGOWNOFSA-N 1 3 349.544 2.603 20 0 EFADHO Fc1ccc(C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ncccc12 ZINC000152051995 1418248112 /nfs/dbraw/zinc/24/81/12/1418248112.db2.gz MBVODAQYZINIBR-HNNXBMFYSA-N 1 3 343.446 2.964 20 0 EFADHO Cc1ccc2ncc(CNCc3ccc(OCC[NH+](C)C)cc3)n2c1 ZINC000155880835 1418268897 /nfs/dbraw/zinc/26/88/97/1418268897.db2.gz IRYXXACNLXBEPM-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000156517172 1418273945 /nfs/dbraw/zinc/27/39/45/1418273945.db2.gz ZVMKYFUEEMICAS-FQEVSTJZSA-N 1 3 325.456 2.637 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000156517172 1418273950 /nfs/dbraw/zinc/27/39/50/1418273950.db2.gz ZVMKYFUEEMICAS-FQEVSTJZSA-N 1 3 325.456 2.637 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001713244800 1418412355 /nfs/dbraw/zinc/41/23/55/1418412355.db2.gz WWDDFGALQXQYFI-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000247993333 1422462165 /nfs/dbraw/zinc/46/21/65/1422462165.db2.gz LXPVZEXZHWIJDK-RTBURBONSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000247993333 1422462168 /nfs/dbraw/zinc/46/21/68/1422462168.db2.gz LXPVZEXZHWIJDK-RTBURBONSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])N2CCCC2)cc1 ZINC000166328557 1422502991 /nfs/dbraw/zinc/50/29/91/1422502991.db2.gz MYVDFRYNSKJVDI-CEXWTWQISA-N 1 3 329.488 2.766 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144330 712932991 /nfs/dbraw/zinc/93/29/91/712932991.db2.gz JTLNQJIJLJCBIC-DLBZAZTESA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccsc2)C1 ZINC000969144330 712932995 /nfs/dbraw/zinc/93/29/95/712932995.db2.gz JTLNQJIJLJCBIC-DLBZAZTESA-N 1 3 335.517 2.561 20 0 EFADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000969144748 712933935 /nfs/dbraw/zinc/93/39/35/712933935.db2.gz SISSNBHBUILICV-ROUUACIJSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(CN2CCCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000969144748 712933936 /nfs/dbraw/zinc/93/39/36/712933936.db2.gz SISSNBHBUILICV-ROUUACIJSA-N 1 3 349.544 2.869 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1 ZINC000969655708 713206730 /nfs/dbraw/zinc/20/67/30/713206730.db2.gz ZYSMGMXMVGBTQT-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC000969660214 713208602 /nfs/dbraw/zinc/20/86/02/713208602.db2.gz OQVINWCJQCAJKT-FXAWDEMLSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(CN2CC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000969660214 713208603 /nfs/dbraw/zinc/20/86/03/713208603.db2.gz OQVINWCJQCAJKT-FXAWDEMLSA-N 1 3 343.515 2.804 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC000969691578 713220480 /nfs/dbraw/zinc/22/04/80/713220480.db2.gz UVEKBRWALNZXMP-AYOQOUSVSA-N 1 3 333.520 2.654 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC000969691578 713220481 /nfs/dbraw/zinc/22/04/81/713220481.db2.gz UVEKBRWALNZXMP-AYOQOUSVSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c1 ZINC000969700540 713223650 /nfs/dbraw/zinc/22/36/50/713223650.db2.gz QLSCZWNCGRRHBC-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c1 ZINC000969700540 713223654 /nfs/dbraw/zinc/22/36/54/713223654.db2.gz QLSCZWNCGRRHBC-MBOZVWFJSA-N 1 3 343.515 2.580 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799153 713265080 /nfs/dbraw/zinc/26/50/80/713265080.db2.gz UVPXRUNQZLZOFZ-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799153 713265081 /nfs/dbraw/zinc/26/50/81/713265081.db2.gz UVPXRUNQZLZOFZ-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC001020586052 713265398 /nfs/dbraw/zinc/26/53/98/713265398.db2.gz CRXDLKAOXCIPKD-USJZOSNVSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001020586080 713265412 /nfs/dbraw/zinc/26/54/12/713265412.db2.gz DVMFOGHGLNSRCR-XIRDDKMYSA-N 1 3 341.455 2.654 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001020586167 713265723 /nfs/dbraw/zinc/26/57/23/713265723.db2.gz HAJMHHCPNNPXCK-KBRIMQKVSA-N 1 3 335.879 2.561 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001020587401 713266452 /nfs/dbraw/zinc/26/64/52/713266452.db2.gz DPWRUFMMLJGMJJ-KLHDSHLOSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c(Cl)c1 ZINC001020588441 713266833 /nfs/dbraw/zinc/26/68/33/713266833.db2.gz ATJIHYZELKAYMA-DJIMGWMZSA-N 1 3 349.906 2.727 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC001020588765 713267173 /nfs/dbraw/zinc/26/71/73/713267173.db2.gz LMMJVKLETAKGLT-CDHQVMDDSA-N 1 3 341.499 2.643 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1 ZINC001020586448 713267369 /nfs/dbraw/zinc/26/73/69/713267369.db2.gz ONWSWXDKGQARMJ-DSLXNQLJSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001020586655 713267559 /nfs/dbraw/zinc/26/75/59/713267559.db2.gz UYIQDOHOZRGDFO-JHJVBQTASA-N 1 3 341.908 2.623 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001020586688 713267603 /nfs/dbraw/zinc/26/76/03/713267603.db2.gz VYGIISVFWOZIHN-KLHDSHLOSA-N 1 3 343.462 2.533 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001020590514 713268201 /nfs/dbraw/zinc/26/82/01/713268201.db2.gz YWRHOWXUBDPXPI-WNHJNPCNSA-N 1 3 343.515 2.943 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001020590131 713268972 /nfs/dbraw/zinc/26/89/72/713268972.db2.gz NAEGCABSYULWRR-DTTOXWODSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000969811289 713269722 /nfs/dbraw/zinc/26/97/22/713269722.db2.gz NGXSYISTPBMXHJ-GDBMZVCRSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834312 713275880 /nfs/dbraw/zinc/27/58/80/713275880.db2.gz WTTTYTXRHZFQIC-MJGOQNOKSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834312 713275881 /nfs/dbraw/zinc/27/58/81/713275881.db2.gz WTTTYTXRHZFQIC-MJGOQNOKSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969836611 713276482 /nfs/dbraw/zinc/27/64/82/713276482.db2.gz NCUHAGGMGCLBFO-VQIMIIECSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969836611 713276483 /nfs/dbraw/zinc/27/64/83/713276483.db2.gz NCUHAGGMGCLBFO-VQIMIIECSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832589 713276951 /nfs/dbraw/zinc/27/69/51/713276951.db2.gz HYZUOJLJSKUOLT-IEBWSBKVSA-N 1 3 343.515 2.601 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000969832589 713276953 /nfs/dbraw/zinc/27/69/53/713276953.db2.gz HYZUOJLJSKUOLT-IEBWSBKVSA-N 1 3 343.515 2.601 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000969845185 713280200 /nfs/dbraw/zinc/28/02/00/713280200.db2.gz VMLGQZZWTPZLDY-KVSKMBFKSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC000969845687 713280444 /nfs/dbraw/zinc/28/04/44/713280444.db2.gz FHMDVSWSQAULMX-IAGOWNOFSA-N 1 3 337.895 2.617 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)c(Cl)c1 ZINC000969949643 713320299 /nfs/dbraw/zinc/32/02/99/713320299.db2.gz WOIRJQGFLVPTHX-NVXWUHKLSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)c(Cl)c1 ZINC000969949643 713320300 /nfs/dbraw/zinc/32/03/00/713320300.db2.gz WOIRJQGFLVPTHX-NVXWUHKLSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CN(CC2=CCCCC2)C1 ZINC000969950969 713320823 /nfs/dbraw/zinc/32/08/23/713320823.db2.gz XBTPZVMCXDXVGR-KRWDZBQOSA-N 1 3 345.531 2.799 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000969951886 713322093 /nfs/dbraw/zinc/32/20/93/713322093.db2.gz SANGUWUDOOXPJV-GDBMZVCRSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000969951886 713322094 /nfs/dbraw/zinc/32/20/94/713322094.db2.gz SANGUWUDOOXPJV-GDBMZVCRSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000969951890 713322144 /nfs/dbraw/zinc/32/21/44/713322144.db2.gz SANGUWUDOOXPJV-GOEBONIOSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2ccccc2Cl)C1 ZINC000969951890 713322146 /nfs/dbraw/zinc/32/21/46/713322146.db2.gz SANGUWUDOOXPJV-GOEBONIOSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCc2sccc2Cl)C1 ZINC000969952763 713322526 /nfs/dbraw/zinc/32/25/26/713322526.db2.gz YSTKXOPWCIUPQM-CHWSQXEVSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCc2sccc2Cl)C1 ZINC000969952763 713322527 /nfs/dbraw/zinc/32/25/27/713322527.db2.gz YSTKXOPWCIUPQM-CHWSQXEVSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969956127 713323995 /nfs/dbraw/zinc/32/39/95/713323995.db2.gz WDWQJXHLRNIPPV-GOEBONIOSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000969956127 713323997 /nfs/dbraw/zinc/32/39/97/713323997.db2.gz WDWQJXHLRNIPPV-GOEBONIOSA-N 1 3 349.906 2.681 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969965715 713324898 /nfs/dbraw/zinc/32/48/98/713324898.db2.gz VEBHHUQZBNHGHV-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000969965696 713325002 /nfs/dbraw/zinc/32/50/02/713325002.db2.gz UPBVXGKZLDCDTD-ZWKOTPCHSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC000969961741 713325523 /nfs/dbraw/zinc/32/55/23/713325523.db2.gz IKRASQRDNHJPFV-APWZRJJASA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC000969965812 713327722 /nfs/dbraw/zinc/32/77/22/713327722.db2.gz YOVYORGRPMTYMW-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1)N(C)C ZINC000969985178 713334303 /nfs/dbraw/zinc/33/43/03/713334303.db2.gz DPWHVJAQCKREON-UXHICEINSA-N 1 3 339.483 2.871 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC000969985073 713334325 /nfs/dbraw/zinc/33/43/25/713334325.db2.gz BHOUGQPNCGWUEJ-MRRJBJDNSA-N 1 3 339.430 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1)N(C)C ZINC000969985621 713334549 /nfs/dbraw/zinc/33/45/49/713334549.db2.gz JXNDPHHVBBAIDL-CVEARBPZSA-N 1 3 339.430 2.655 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018723 713344596 /nfs/dbraw/zinc/34/45/96/713344596.db2.gz CEAJXHJBOAPBTG-YLJYHZDGSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018723 713344598 /nfs/dbraw/zinc/34/45/98/713344598.db2.gz CEAJXHJBOAPBTG-YLJYHZDGSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018720 713344644 /nfs/dbraw/zinc/34/46/44/713344644.db2.gz CEAJXHJBOAPBTG-XLIONFOSSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CN(Cc2ccccc2)C1 ZINC000970018720 713344645 /nfs/dbraw/zinc/34/46/45/713344645.db2.gz CEAJXHJBOAPBTG-XLIONFOSSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020675920 713345648 /nfs/dbraw/zinc/34/56/48/713345648.db2.gz KPSSHWFVOMYEHU-ULQDDVLXSA-N 1 3 335.517 2.748 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020675903 713345696 /nfs/dbraw/zinc/34/56/96/713345696.db2.gz JQBLXUSBTQEDCZ-GUDVDZBRSA-N 1 3 329.488 2.686 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](NCc3ccccc3Cl)C2)CC1 ZINC001020679516 713347805 /nfs/dbraw/zinc/34/78/05/713347805.db2.gz UFCNBSWSWAFFPS-QAQDUYKDSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cccc(CN2CC([C@H](C)NC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC000970047928 713357708 /nfs/dbraw/zinc/35/77/08/713357708.db2.gz QQOTZJXMQKTLIE-KRWDZBQOSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001020981862 713466773 /nfs/dbraw/zinc/46/67/73/713466773.db2.gz QEZFIZQMKRZQDI-BQFCYCMXSA-N 1 3 338.455 2.575 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001020981859 713466862 /nfs/dbraw/zinc/46/68/62/713466862.db2.gz PYTJFUKHCPCKSY-IYARVYRRSA-N 1 3 338.455 2.575 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccc(F)cc1 ZINC001020982162 713467265 /nfs/dbraw/zinc/46/72/65/713467265.db2.gz ZOMILNQGSNINLD-BRWVUGGUSA-N 1 3 344.434 2.788 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000970177164 713507821 /nfs/dbraw/zinc/50/78/21/713507821.db2.gz OWXQDQICSMEKBU-MOPGFXCFSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)c1ccccc1F ZINC000970178140 713509702 /nfs/dbraw/zinc/50/97/02/713509702.db2.gz MKZJJCFXDBMARJ-NVXWUHKLSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001021088039 713561161 /nfs/dbraw/zinc/56/11/61/713561161.db2.gz LEGNVGIKUBNMMS-ZULIPRJHSA-N 1 3 343.515 2.913 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@H](NC(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001021090933 713562803 /nfs/dbraw/zinc/56/28/03/713562803.db2.gz OVHWHDHDBMSLHD-NZBNENSSSA-N 1 3 329.488 2.645 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001021091206 713562935 /nfs/dbraw/zinc/56/29/35/713562935.db2.gz SSFMLTAKIMLQHT-VJANTYMQSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001021091905 713563313 /nfs/dbraw/zinc/56/33/13/713563313.db2.gz ZLBOEXBCVDNYEK-BMOGMMAESA-N 1 3 343.515 2.647 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001021092693 713563464 /nfs/dbraw/zinc/56/34/64/713563464.db2.gz QCQQDIFBQRFQGX-GUDVDZBRSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001021094337 713564444 /nfs/dbraw/zinc/56/44/44/713564444.db2.gz NZTDEJNLIGVDSB-UFYCRDLUSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001021094721 713564801 /nfs/dbraw/zinc/56/48/01/713564801.db2.gz ZLYAROXOCAOZBS-IUVQAAGXSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001021094713 713564839 /nfs/dbraw/zinc/56/48/39/713564839.db2.gz ZBTQUTZETHKMSK-OWYHZJEWSA-N 1 3 329.488 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001021094650 713564865 /nfs/dbraw/zinc/56/48/65/713564865.db2.gz XAAXLPOYQVXWEB-GUDVDZBRSA-N 1 3 329.488 2.606 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2F)C1 ZINC001021095871 713574191 /nfs/dbraw/zinc/57/41/91/713574191.db2.gz BBSXBDFQLOQWDH-ZHALLVOQSA-N 1 3 347.478 2.745 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCCN3CC)C2)c1 ZINC001021096251 713574994 /nfs/dbraw/zinc/57/49/94/713574994.db2.gz KKDDDMSMHGDSRH-VAMGGRTRSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001021096201 713575049 /nfs/dbraw/zinc/57/50/49/713575049.db2.gz IZSDMNVSUJRILY-VAMGGRTRSA-N 1 3 343.515 2.915 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001021096280 713575132 /nfs/dbraw/zinc/57/51/32/713575132.db2.gz LRFVELWLBLTKJM-QGZVKYPTSA-N 1 3 341.499 2.785 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001021096737 713575250 /nfs/dbraw/zinc/57/52/50/713575250.db2.gz WPQLRRUQJPRTHJ-KLHDSHLOSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039159297 713603048 /nfs/dbraw/zinc/60/30/48/713603048.db2.gz JLDZEYMNQJSNPM-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001039159297 713603051 /nfs/dbraw/zinc/60/30/51/713603051.db2.gz JLDZEYMNQJSNPM-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317806 713627485 /nfs/dbraw/zinc/62/74/85/713627485.db2.gz LASVWOVYMSGWHN-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)C1 ZINC000970317806 713627486 /nfs/dbraw/zinc/62/74/86/713627486.db2.gz LASVWOVYMSGWHN-HKUYNNGSSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325386 713635585 /nfs/dbraw/zinc/63/55/85/713635585.db2.gz DYYCCHRORRTUKP-YJBOKZPZSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325386 713635587 /nfs/dbraw/zinc/63/55/87/713635587.db2.gz DYYCCHRORRTUKP-YJBOKZPZSA-N 1 3 339.499 2.580 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970326929 713636830 /nfs/dbraw/zinc/63/68/30/713636830.db2.gz YEXJFKFUEUEFPJ-BZSNNMDCSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000970326929 713636832 /nfs/dbraw/zinc/63/68/32/713636832.db2.gz YEXJFKFUEUEFPJ-BZSNNMDCSA-N 1 3 343.515 2.662 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CN(CC2=CCCCC2)C1 ZINC000970327124 713636839 /nfs/dbraw/zinc/63/68/39/713636839.db2.gz ZOUVQQJWQPXBTM-JZXOWHBKSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CN(CC2=CCCCC2)C1 ZINC000970327124 713636841 /nfs/dbraw/zinc/63/68/41/713636841.db2.gz ZOUVQQJWQPXBTM-JZXOWHBKSA-N 1 3 333.520 2.654 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1cccc(F)c1 ZINC000970335599 713644701 /nfs/dbraw/zinc/64/47/01/713644701.db2.gz SHRYWEVBUIWNNO-QFBILLFUSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](NCc3ccsc3)C2)CC1 ZINC000970383656 713680698 /nfs/dbraw/zinc/68/06/98/713680698.db2.gz XHVJKZBINGFISO-QGZVFWFLSA-N 1 3 335.517 2.559 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039173569 713703934 /nfs/dbraw/zinc/70/39/34/713703934.db2.gz ZRGXQPHDAAFZQU-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039173569 713703935 /nfs/dbraw/zinc/70/39/35/713703935.db2.gz ZRGXQPHDAAFZQU-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)CC[N@@H+]1C ZINC001021261714 713719510 /nfs/dbraw/zinc/71/95/10/713719510.db2.gz AWQYLYRRTJJABX-STEQREKNSA-N 1 3 339.911 2.581 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)CC[N@H+]1C ZINC001021261714 713719512 /nfs/dbraw/zinc/71/95/12/713719512.db2.gz AWQYLYRRTJJABX-STEQREKNSA-N 1 3 339.911 2.581 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001021274070 713725804 /nfs/dbraw/zinc/72/58/04/713725804.db2.gz LEVRZIBZWIIQSC-XVLXNVKGSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001021274070 713725806 /nfs/dbraw/zinc/72/58/06/713725806.db2.gz LEVRZIBZWIIQSC-XVLXNVKGSA-N 1 3 333.520 2.773 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001021274272 713726125 /nfs/dbraw/zinc/72/61/25/713726125.db2.gz PXRPXBIUGURGNI-IPQPSQTFSA-N 1 3 333.520 2.939 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001021274272 713726127 /nfs/dbraw/zinc/72/61/27/713726127.db2.gz PXRPXBIUGURGNI-IPQPSQTFSA-N 1 3 333.520 2.939 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970527906 713779828 /nfs/dbraw/zinc/77/98/28/713779828.db2.gz AOALZRXVXBMFNJ-VQIMIIECSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1noc2ncc(C(=O)NC3CC4CCC(C3)[NH+]4C(C)C)cc12 ZINC001021342315 713814087 /nfs/dbraw/zinc/81/40/87/713814087.db2.gz YUSQMJXPIJGVJT-GOOCMWNKSA-N 1 3 328.416 2.665 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)CC[N@@H+]1C ZINC001021360658 713830515 /nfs/dbraw/zinc/83/05/15/713830515.db2.gz UFQYZPKQLYNPAY-NDIIEHCPSA-N 1 3 339.911 2.581 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)CC[N@H+]1C ZINC001021360658 713830519 /nfs/dbraw/zinc/83/05/19/713830519.db2.gz UFQYZPKQLYNPAY-NDIIEHCPSA-N 1 3 339.911 2.581 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC(C)(C)C2)C1 ZINC001021380396 713852287 /nfs/dbraw/zinc/85/22/87/713852287.db2.gz DMXJWHOSZGJQKU-BPIHKTFHSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001021380396 713852289 /nfs/dbraw/zinc/85/22/89/713852289.db2.gz DMXJWHOSZGJQKU-BPIHKTFHSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001021380801 713852605 /nfs/dbraw/zinc/85/26/05/713852605.db2.gz WIRWXCIGAQKSEO-VOBGVNJCSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001021380801 713852608 /nfs/dbraw/zinc/85/26/08/713852608.db2.gz WIRWXCIGAQKSEO-VOBGVNJCSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001021380776 713852679 /nfs/dbraw/zinc/85/26/79/713852679.db2.gz UQNNBSGGGUXRIA-UXDRXVOSSA-N 1 3 333.520 2.773 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001021380776 713852681 /nfs/dbraw/zinc/85/26/81/713852681.db2.gz UQNNBSGGGUXRIA-UXDRXVOSSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CN(Cc3ccccc3)C2)CC1 ZINC000970670571 713889306 /nfs/dbraw/zinc/88/93/06/713889306.db2.gz QUEROAOIRNWPSW-KRWDZBQOSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC000970716910 713930797 /nfs/dbraw/zinc/93/07/97/713930797.db2.gz ILFMGNUUJJAFPV-QZTJIDSGSA-N 1 3 333.451 2.563 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC000970716894 713930805 /nfs/dbraw/zinc/93/08/05/713930805.db2.gz HXPCFOQFXOKJFV-ZWKOTPCHSA-N 1 3 329.488 2.651 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC000970717153 713931449 /nfs/dbraw/zinc/93/14/49/713931449.db2.gz JEJDQGWMADPRBR-SJLPKXTDSA-N 1 3 347.890 2.614 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC000970717217 713931511 /nfs/dbraw/zinc/93/15/11/713931511.db2.gz LKVOGHBZVSXBCW-RDTXWAMCSA-N 1 3 347.890 2.614 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000970718226 713932220 /nfs/dbraw/zinc/93/22/20/713932220.db2.gz IDNOSNWTIQKUMT-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000970788475 713994813 /nfs/dbraw/zinc/99/48/13/713994813.db2.gz MBWQRPSYLYZICA-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000970795190 714000350 /nfs/dbraw/zinc/00/03/50/714000350.db2.gz ALFFFWIINXGQRC-QUCCMNQESA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000970799372 714003965 /nfs/dbraw/zinc/00/39/65/714003965.db2.gz AVBQGLOICGPDQP-RTBURBONSA-N 1 3 333.520 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000970800478 714009426 /nfs/dbraw/zinc/00/94/26/714009426.db2.gz PTCHKKTXTBFYNV-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980227873 717945600 /nfs/dbraw/zinc/94/56/00/717945600.db2.gz DWYMWAVEEYSKMJ-RCCFBDPRSA-N 1 3 346.519 2.914 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3nc[nH]c3C)C[C@@H]2C1 ZINC000980227873 717945607 /nfs/dbraw/zinc/94/56/07/717945607.db2.gz DWYMWAVEEYSKMJ-RCCFBDPRSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC000980230194 717949601 /nfs/dbraw/zinc/94/96/01/717949601.db2.gz KNEBGWHBOQTULU-OKZBNKHCSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC000980230194 717949604 /nfs/dbraw/zinc/94/96/04/717949604.db2.gz KNEBGWHBOQTULU-OKZBNKHCSA-N 1 3 344.503 2.668 20 0 EFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970876262 714095121 /nfs/dbraw/zinc/09/51/21/714095121.db2.gz UDQLTFLDVOQIHH-QFBILLFUSA-N 1 3 343.515 2.527 20 0 EFADHO CCCc1ccc(CN2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970876262 714095125 /nfs/dbraw/zinc/09/51/25/714095125.db2.gz UDQLTFLDVOQIHH-QFBILLFUSA-N 1 3 343.515 2.527 20 0 EFADHO CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970918315 714133198 /nfs/dbraw/zinc/13/31/98/714133198.db2.gz SVVXLVDALLZUPC-CVEARBPZSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC000970928480 714143852 /nfs/dbraw/zinc/14/38/52/714143852.db2.gz LKIXUJXAIVYFBL-INIZCTEOSA-N 1 3 331.504 2.844 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001021676977 714285536 /nfs/dbraw/zinc/28/55/36/714285536.db2.gz FTSJLCIUYXBHHH-HKUYNNGSSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]21 ZINC001021676977 714285538 /nfs/dbraw/zinc/28/55/38/714285538.db2.gz FTSJLCIUYXBHHH-HKUYNNGSSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCC3CCCC3)CC[C@@H]21 ZINC001021679384 714290562 /nfs/dbraw/zinc/29/05/62/714290562.db2.gz NTUWMHVZIYJHRF-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]21 ZINC001021679384 714290564 /nfs/dbraw/zinc/29/05/64/714290564.db2.gz NTUWMHVZIYJHRF-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCn1cc(Br)cn1 ZINC000261665389 714363535 /nfs/dbraw/zinc/36/35/35/714363535.db2.gz ZNVOKJSPRWQUIH-OCCSQVGLSA-N 1 3 329.286 2.546 20 0 EFADHO CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742938 714412639 /nfs/dbraw/zinc/41/26/39/714412639.db2.gz NLIFQEPZBULPSQ-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(CN(C)C)c2)C1 ZINC001021742938 714412642 /nfs/dbraw/zinc/41/26/42/714412642.db2.gz NLIFQEPZBULPSQ-RBUKOAKNSA-N 1 3 329.488 2.695 20 0 EFADHO CCCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203046 714463151 /nfs/dbraw/zinc/46/31/51/714463151.db2.gz BQGPPSQYKIZQDB-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CCCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203046 714463152 /nfs/dbraw/zinc/46/31/52/714463152.db2.gz BQGPPSQYKIZQDB-PMACEKPBSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C)C1 ZINC000891393446 714602605 /nfs/dbraw/zinc/60/26/05/714602605.db2.gz GNUIKKHDMQGVDH-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cs1 ZINC000971526213 714690119 /nfs/dbraw/zinc/69/01/19/714690119.db2.gz VBKNVZBFQHTAFN-ROUUACIJSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cs1 ZINC000971526213 714690123 /nfs/dbraw/zinc/69/01/23/714690123.db2.gz VBKNVZBFQHTAFN-ROUUACIJSA-N 1 3 349.544 2.962 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC000971562624 714708765 /nfs/dbraw/zinc/70/87/65/714708765.db2.gz INCVDDHFEMIEBM-BPQIPLTHSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC000971562624 714708769 /nfs/dbraw/zinc/70/87/69/714708769.db2.gz INCVDDHFEMIEBM-BPQIPLTHSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1F ZINC000971562625 714708900 /nfs/dbraw/zinc/70/89/00/714708900.db2.gz INCVDDHFEMIEBM-KBAYOESNSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1F ZINC000971562625 714708902 /nfs/dbraw/zinc/70/89/02/714708902.db2.gz INCVDDHFEMIEBM-KBAYOESNSA-N 1 3 347.478 2.507 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000971561242 714709839 /nfs/dbraw/zinc/70/98/39/714709839.db2.gz UJXRWOQNUQVNHE-FHLIZLRMSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000971561242 714709841 /nfs/dbraw/zinc/70/98/41/714709841.db2.gz UJXRWOQNUQVNHE-FHLIZLRMSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001022102884 714749966 /nfs/dbraw/zinc/74/99/66/714749966.db2.gz BGFPAFFVHVYBIX-MXASKKJJSA-N 1 3 349.906 2.725 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001022102884 714749968 /nfs/dbraw/zinc/74/99/68/714749968.db2.gz BGFPAFFVHVYBIX-MXASKKJJSA-N 1 3 349.906 2.725 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000891475689 714776239 /nfs/dbraw/zinc/77/62/39/714776239.db2.gz JBSFMHVCKBRJSU-MJGOQNOKSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640543 714797096 /nfs/dbraw/zinc/79/70/96/714797096.db2.gz GAGBYZUTDLNXEB-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640543 714797099 /nfs/dbraw/zinc/79/70/99/714797099.db2.gz GAGBYZUTDLNXEB-OALUTQOASA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640541 714797179 /nfs/dbraw/zinc/79/71/79/714797179.db2.gz GAGBYZUTDLNXEB-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ccc(F)cc2)C1 ZINC000971640541 714797183 /nfs/dbraw/zinc/79/71/83/714797183.db2.gz GAGBYZUTDLNXEB-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCN(C(=O)N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000891560854 714823030 /nfs/dbraw/zinc/82/30/30/714823030.db2.gz RQBYKJIMACEKCT-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC000971673224 714872297 /nfs/dbraw/zinc/87/22/97/714872297.db2.gz DFRJSOOJFYGZTH-KRWDZBQOSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC000971673224 714872298 /nfs/dbraw/zinc/87/22/98/714872298.db2.gz DFRJSOOJFYGZTH-KRWDZBQOSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(CF)cc3)C2)CCC1 ZINC000971679113 714876548 /nfs/dbraw/zinc/87/65/48/714876548.db2.gz RFALZUSIDJCDFH-GOSISDBHSA-N 1 3 347.478 2.673 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)CCC1 ZINC000971679113 714876550 /nfs/dbraw/zinc/87/65/50/714876550.db2.gz RFALZUSIDJCDFH-GOSISDBHSA-N 1 3 347.478 2.673 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000971687946 714883034 /nfs/dbraw/zinc/88/30/34/714883034.db2.gz QRXLGORXVNUTFN-LJQANCHMSA-N 1 3 347.478 2.673 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000971687946 714883035 /nfs/dbraw/zinc/88/30/35/714883035.db2.gz QRXLGORXVNUTFN-LJQANCHMSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971687992 714883063 /nfs/dbraw/zinc/88/30/63/714883063.db2.gz SBYZMHYDWTXEOQ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971687992 714883064 /nfs/dbraw/zinc/88/30/64/714883064.db2.gz SBYZMHYDWTXEOQ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688529 714883405 /nfs/dbraw/zinc/88/34/05/714883405.db2.gz WYQLRNISCFDIHT-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971688529 714883406 /nfs/dbraw/zinc/88/34/06/714883406.db2.gz WYQLRNISCFDIHT-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686669 714886550 /nfs/dbraw/zinc/88/65/50/714886550.db2.gz DHNSLOKJEUGJLN-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971686669 714886551 /nfs/dbraw/zinc/88/65/51/714886551.db2.gz DHNSLOKJEUGJLN-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cs1 ZINC000971735860 714920169 /nfs/dbraw/zinc/92/01/69/714920169.db2.gz MVRQIKCJCQNPKK-IRXDYDNUSA-N 1 3 337.533 2.675 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971734505 714920729 /nfs/dbraw/zinc/92/07/29/714920729.db2.gz BFOMBGOLISVISR-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971734505 714920731 /nfs/dbraw/zinc/92/07/31/714920731.db2.gz BFOMBGOLISVISR-UXHICEINSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971737529 714922674 /nfs/dbraw/zinc/92/26/74/714922674.db2.gz YLHKDNBSVWSKKM-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971737529 714922675 /nfs/dbraw/zinc/92/26/75/714922675.db2.gz YLHKDNBSVWSKKM-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000971777130 714951396 /nfs/dbraw/zinc/95/13/96/714951396.db2.gz AGWYHTKKVCZQGF-IAGOWNOFSA-N 1 3 337.895 2.713 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1)N(C)C ZINC000971777130 714951398 /nfs/dbraw/zinc/95/13/98/714951398.db2.gz AGWYHTKKVCZQGF-IAGOWNOFSA-N 1 3 337.895 2.713 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971777958 714956743 /nfs/dbraw/zinc/95/67/43/714956743.db2.gz INNBEEOWAHWBKX-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC000971777958 714956746 /nfs/dbraw/zinc/95/67/46/714956746.db2.gz INNBEEOWAHWBKX-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000971778534 714956911 /nfs/dbraw/zinc/95/69/11/714956911.db2.gz OKTRSWRZTFQQJJ-SJLPKXTDSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000971778534 714956912 /nfs/dbraw/zinc/95/69/12/714956912.db2.gz OKTRSWRZTFQQJJ-SJLPKXTDSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)c(C)s1 ZINC000971789459 714961857 /nfs/dbraw/zinc/96/18/57/714961857.db2.gz MSRHKJXRADZUAT-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H]3CCCCN3C)C2)c(C)s1 ZINC000971789459 714961858 /nfs/dbraw/zinc/96/18/58/714961858.db2.gz MSRHKJXRADZUAT-ZWKOTPCHSA-N 1 3 349.544 2.882 20 0 EFADHO CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCN(C)C1 ZINC000891895823 715099599 /nfs/dbraw/zinc/09/95/99/715099599.db2.gz OHQLNGSDCDNQRS-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCN(C)C1 ZINC000891895821 715099672 /nfs/dbraw/zinc/09/96/72/715099672.db2.gz OHQLNGSDCDNQRS-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000892153806 715277628 /nfs/dbraw/zinc/27/76/28/715277628.db2.gz SYNXCJAVVIMFES-JXFKEZNVSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000892153806 715277629 /nfs/dbraw/zinc/27/76/29/715277629.db2.gz SYNXCJAVVIMFES-JXFKEZNVSA-N 1 3 347.551 2.539 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001024630621 718040871 /nfs/dbraw/zinc/04/08/71/718040871.db2.gz SZJVHXMCBCWNCA-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000926372511 715309711 /nfs/dbraw/zinc/30/97/11/715309711.db2.gz IYYJPNSYZJGLGM-HKUYNNGSSA-N 1 3 338.536 2.654 20 0 EFADHO CC(C)CCN1CCC([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000926372515 715310333 /nfs/dbraw/zinc/31/03/33/715310333.db2.gz IYYJPNSYZJGLGM-MJGOQNOKSA-N 1 3 338.536 2.654 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001027042737 715337469 /nfs/dbraw/zinc/33/74/69/715337469.db2.gz MMCCPTDUZVDGED-WOJBJXKFSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001027045336 715343437 /nfs/dbraw/zinc/34/34/37/715343437.db2.gz QZCXXPKQRMZYKK-NVXWUHKLSA-N 1 3 337.533 2.581 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC001022712280 715408462 /nfs/dbraw/zinc/40/84/62/715408462.db2.gz OLBVBWCISUPPGW-JLZZUVOBSA-N 1 3 335.517 2.586 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccccc1F ZINC001022711623 715408796 /nfs/dbraw/zinc/40/87/96/715408796.db2.gz CEXIKQGQVVEYSQ-XUWVNRHRSA-N 1 3 333.451 2.608 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001022711876 715409697 /nfs/dbraw/zinc/40/96/97/715409697.db2.gz FMFYAOLNJHSMQD-AHRSYUTCSA-N 1 3 343.515 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001027069326 715409766 /nfs/dbraw/zinc/40/97/66/715409766.db2.gz QIMUCTXJAOPCFX-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001027069431 715410130 /nfs/dbraw/zinc/41/01/30/715410130.db2.gz SUJLKIBGSBBYKP-OCCSQVGLSA-N 1 3 343.924 2.680 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001027069371 715410184 /nfs/dbraw/zinc/41/01/84/715410184.db2.gz RJUUDDFZYSQEQT-LPHOPBHVSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001022712471 715411444 /nfs/dbraw/zinc/41/14/44/715411444.db2.gz RFJDVAQDQALMCT-NONVJHHQSA-N 1 3 333.451 2.608 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCc4ccccc43)C2)C1 ZINC001022713271 715411762 /nfs/dbraw/zinc/41/17/62/715411762.db2.gz JRIKPKBTELGQLB-BOLBYERCSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001022712593 715412312 /nfs/dbraw/zinc/41/23/12/715412312.db2.gz VCEFJCHWCXATCR-XYPHTWIQSA-N 1 3 335.879 2.561 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1)c1ccc(F)cc1 ZINC001022712640 715412318 /nfs/dbraw/zinc/41/23/18/715412318.db2.gz WADYIUQKPVELDP-WQANXHIZSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001022712796 715412882 /nfs/dbraw/zinc/41/28/82/715412882.db2.gz ZVGQLDAXFSMBLP-RYGJVYDSSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC001022713028 715413596 /nfs/dbraw/zinc/41/35/96/715413596.db2.gz HIKQXLKXVMESIF-YSHGAJCASA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCc4ccccc43)C2)C1 ZINC001022713274 715413647 /nfs/dbraw/zinc/41/36/47/715413647.db2.gz JRIKPKBTELGQLB-WOGUSJMUSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccccc1 ZINC001027062838 715414394 /nfs/dbraw/zinc/41/43/94/715414394.db2.gz COQISGKIXCVYDQ-ZWKOTPCHSA-N 1 3 343.515 2.918 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001027062863 715414611 /nfs/dbraw/zinc/41/46/11/715414611.db2.gz CTTOBGLLEQJBCA-ROUUACIJSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001027063255 715415092 /nfs/dbraw/zinc/41/50/92/715415092.db2.gz JQVDEFVBLMPKES-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027063466 715416085 /nfs/dbraw/zinc/41/60/85/715416085.db2.gz LNMDKWHYECZWDE-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027063463 715416123 /nfs/dbraw/zinc/41/61/23/715416123.db2.gz LNMDKWHYECZWDE-FXAWDEMLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027063835 715417319 /nfs/dbraw/zinc/41/73/19/715417319.db2.gz SUZQMPUYBXENID-OALUTQOASA-N 1 3 343.515 2.726 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(Cl)c1 ZINC001022713751 715418682 /nfs/dbraw/zinc/41/86/82/715418682.db2.gz MCSCTPPMCIRFSM-IHETXDGRSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(Cl)c1 ZINC001022713750 715418906 /nfs/dbraw/zinc/41/89/06/715418906.db2.gz MCSCTPPMCIRFSM-DTDBQYNISA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001027065168 715419302 /nfs/dbraw/zinc/41/93/02/715419302.db2.gz RYPCKKHLSJXUNW-WBVHZDCISA-N 1 3 349.906 2.620 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(Cl)cc1 ZINC001022713903 715419697 /nfs/dbraw/zinc/41/96/97/715419697.db2.gz NAEGCABSYULWRR-IHETXDGRSA-N 1 3 349.906 2.980 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027065147 715419803 /nfs/dbraw/zinc/41/98/03/715419803.db2.gz RQHALKMVZHANNE-MSOLQXFVSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001027065504 715421120 /nfs/dbraw/zinc/42/11/20/715421120.db2.gz ZGNFJYJIQKRNMG-IEBWSBKVSA-N 1 3 347.547 2.737 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022714678 715421733 /nfs/dbraw/zinc/42/17/33/715421733.db2.gz YRSJNLMAZBKFHL-QRQLOZEOSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001022714702 715421740 /nfs/dbraw/zinc/42/17/40/715421740.db2.gz YWRHOWXUBDPXPI-OWYHZJEWSA-N 1 3 343.515 2.943 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)C1 ZINC001027066487 715422641 /nfs/dbraw/zinc/42/26/41/715422641.db2.gz RWEOAHFIKIFARK-GOSISDBHSA-N 1 3 333.520 2.657 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccc(F)cc1 ZINC001022714487 715423034 /nfs/dbraw/zinc/42/30/34/715423034.db2.gz VNQLQLMAVLOLCH-FZDIXFNVSA-N 1 3 347.478 2.855 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccc(F)cc1 ZINC001022714489 715423124 /nfs/dbraw/zinc/42/31/24/715423124.db2.gz VNQLQLMAVLOLCH-OAOYMFHYSA-N 1 3 347.478 2.855 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001022716601 715432945 /nfs/dbraw/zinc/43/29/45/715432945.db2.gz BBYKAVWVSNCACG-KDURUIRLSA-N 1 3 343.515 2.718 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccsc3)CC2(C)C)C1 ZINC000975039883 715444792 /nfs/dbraw/zinc/44/47/92/715444792.db2.gz OEUOXHRJFRAXDZ-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[N@@H+](Cc3ccsc3)CC2(C)C)C1 ZINC000975039883 715444795 /nfs/dbraw/zinc/44/47/95/715444795.db2.gz OEUOXHRJFRAXDZ-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CC[N@H+](CC(=O)N[C@H]2CN(Cc3ccsc3)CC2(C)C)C1 ZINC000975039883 715444799 /nfs/dbraw/zinc/44/47/99/715444799.db2.gz OEUOXHRJFRAXDZ-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO CC1(C)CC[N@@H+](CC(=O)N[C@H]2CN(Cc3ccsc3)CC2(C)C)C1 ZINC000975039883 715444802 /nfs/dbraw/zinc/44/48/02/715444802.db2.gz OEUOXHRJFRAXDZ-INIZCTEOSA-N 1 3 349.544 2.807 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001027333721 715472433 /nfs/dbraw/zinc/47/24/33/715472433.db2.gz BKAHXDDMLONYFQ-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cc1F ZINC001027333721 715472439 /nfs/dbraw/zinc/47/24/39/715472439.db2.gz BKAHXDDMLONYFQ-HKUYNNGSSA-N 1 3 347.478 2.651 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1Cl ZINC001027090108 715542394 /nfs/dbraw/zinc/54/23/94/715542394.db2.gz KMAXQEVAHWRLPU-KBPBESRZSA-N 1 3 346.862 2.805 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001027091089 715544462 /nfs/dbraw/zinc/54/44/62/715544462.db2.gz DBCGQQAWYQSAJH-AWEZNQCLSA-N 1 3 348.397 2.528 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1F ZINC000972234276 715573079 /nfs/dbraw/zinc/57/30/79/715573079.db2.gz GXTJBSJCIAITRS-SFHVURJKSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234978 715574778 /nfs/dbraw/zinc/57/47/78/715574778.db2.gz JVHOYHANWKRQMB-LJQANCHMSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972264351 715609610 /nfs/dbraw/zinc/60/96/10/715609610.db2.gz FUUWICKJMXBWSS-WOJBJXKFSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972264351 715609614 /nfs/dbraw/zinc/60/96/14/715609614.db2.gz FUUWICKJMXBWSS-WOJBJXKFSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000972265598 715612015 /nfs/dbraw/zinc/61/20/15/715612015.db2.gz NQZGWGDPJYVMRE-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000972265598 715612019 /nfs/dbraw/zinc/61/20/19/715612019.db2.gz NQZGWGDPJYVMRE-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972265576 715612563 /nfs/dbraw/zinc/61/25/63/715612563.db2.gz MVLDVMJRWXZABD-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC000972265576 715612565 /nfs/dbraw/zinc/61/25/65/715612565.db2.gz MVLDVMJRWXZABD-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3=CCCCC3)C2)CC1 ZINC001027139153 715682191 /nfs/dbraw/zinc/68/21/91/715682191.db2.gz BRCVFGIYHOEBJJ-LJQANCHMSA-N 1 3 333.520 2.657 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325919 715691420 /nfs/dbraw/zinc/69/14/20/715691420.db2.gz DYHXKUPCMOKUCL-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](N(C)Cc2ccc(Cl)cc2)C1 ZINC000972325919 715691422 /nfs/dbraw/zinc/69/14/22/715691422.db2.gz DYHXKUPCMOKUCL-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325919 715691424 /nfs/dbraw/zinc/69/14/24/715691424.db2.gz DYHXKUPCMOKUCL-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1 ZINC000972325919 715691427 /nfs/dbraw/zinc/69/14/27/715691427.db2.gz DYHXKUPCMOKUCL-CRAIPNDOSA-N 1 3 349.906 2.857 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330020 715697682 /nfs/dbraw/zinc/69/76/82/715697682.db2.gz CXQJBOYWHBFQHU-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972330020 715697684 /nfs/dbraw/zinc/69/76/84/715697684.db2.gz CXQJBOYWHBFQHU-PXNSSMCTSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972329829 715698971 /nfs/dbraw/zinc/69/89/71/715698971.db2.gz CLQNQBNQKRXSIV-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000972329829 715698976 /nfs/dbraw/zinc/69/89/76/715698976.db2.gz CLQNQBNQKRXSIV-FXAWDEMLSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972329833 715699337 /nfs/dbraw/zinc/69/93/37/715699337.db2.gz CLQNQBNQKRXSIV-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000972329833 715699340 /nfs/dbraw/zinc/69/93/40/715699340.db2.gz CLQNQBNQKRXSIV-YLJYHZDGSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1 ZINC000972330707 715700991 /nfs/dbraw/zinc/70/09/91/715700991.db2.gz GNGCJOPDUWMHTQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000972330707 715700994 /nfs/dbraw/zinc/70/09/94/715700994.db2.gz GNGCJOPDUWMHTQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972332049 715701561 /nfs/dbraw/zinc/70/15/61/715701561.db2.gz AHDOOHQUFLJOGP-QFBILLFUSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000972332049 715701564 /nfs/dbraw/zinc/70/15/64/715701564.db2.gz AHDOOHQUFLJOGP-QFBILLFUSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331496 715703886 /nfs/dbraw/zinc/70/38/86/715703886.db2.gz LLVXDCUBXSWXBO-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H](N(C)Cc2cccc(Cl)c2)C1 ZINC000972331496 715703889 /nfs/dbraw/zinc/70/38/89/715703889.db2.gz LLVXDCUBXSWXBO-YJBOKZPZSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)cc1 ZINC001027139939 715706133 /nfs/dbraw/zinc/70/61/33/715706133.db2.gz USAZKLKIKVYDNQ-FQEVSTJZSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333907 715707177 /nfs/dbraw/zinc/70/71/77/715707177.db2.gz ZHTQFMNNSFRFQN-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333907 715707182 /nfs/dbraw/zinc/70/71/82/715707182.db2.gz ZHTQFMNNSFRFQN-HKUYNNGSSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000972334179 715707651 /nfs/dbraw/zinc/70/76/51/715707651.db2.gz FDERLYJHGBJQED-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000972334179 715707655 /nfs/dbraw/zinc/70/76/55/715707655.db2.gz FDERLYJHGBJQED-UZLBHIALSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334816 715708727 /nfs/dbraw/zinc/70/87/27/715708727.db2.gz KYNMKSSYTJDPJE-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCC3CCCCC3)C2)C1 ZINC000972334816 715708731 /nfs/dbraw/zinc/70/87/31/715708731.db2.gz KYNMKSSYTJDPJE-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000972334491 715708860 /nfs/dbraw/zinc/70/88/60/715708860.db2.gz HHMNPTOEDMDDHJ-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC000972334491 715708865 /nfs/dbraw/zinc/70/88/65/715708865.db2.gz HHMNPTOEDMDDHJ-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334729 715708904 /nfs/dbraw/zinc/70/89/04/715708904.db2.gz IVXPPWNBVVDEIW-LPHOPBHVSA-N 1 3 347.478 2.531 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(CF)cc3)C2)C1 ZINC000972334729 715708908 /nfs/dbraw/zinc/70/89/08/715708908.db2.gz IVXPPWNBVVDEIW-LPHOPBHVSA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1F ZINC000972334944 715709476 /nfs/dbraw/zinc/70/94/76/715709476.db2.gz LPOLLFCZIIDEHU-MAUKXSAKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1F ZINC000972334944 715709480 /nfs/dbraw/zinc/70/94/80/715709480.db2.gz LPOLLFCZIIDEHU-MAUKXSAKSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cs1 ZINC000972333237 715709658 /nfs/dbraw/zinc/70/96/58/715709658.db2.gz UXBMZRFYNBKGDK-YOEHRIQHSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cs1 ZINC000972333237 715709660 /nfs/dbraw/zinc/70/96/60/715709660.db2.gz UXBMZRFYNBKGDK-YOEHRIQHSA-N 1 3 335.517 2.574 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336526 715712909 /nfs/dbraw/zinc/71/29/09/715712909.db2.gz XYAPGPAPMPIXTD-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000972336526 715712912 /nfs/dbraw/zinc/71/29/12/715712912.db2.gz XYAPGPAPMPIXTD-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336523 715713040 /nfs/dbraw/zinc/71/30/40/715713040.db2.gz XYAPGPAPMPIXTD-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336523 715713043 /nfs/dbraw/zinc/71/30/43/715713043.db2.gz XYAPGPAPMPIXTD-FXAWDEMLSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3C(C)C)C2)cc1 ZINC001022808377 715728975 /nfs/dbraw/zinc/72/89/75/715728975.db2.gz USVRJIQKLDSPOZ-ZCNNSNEGSA-N 1 3 343.515 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001022807739 715730008 /nfs/dbraw/zinc/73/00/08/715730008.db2.gz MRNRSHLJBKEKKB-OTWHNJEPSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022807652 715730028 /nfs/dbraw/zinc/73/00/28/715730028.db2.gz JQBLXUSBTQEDCZ-CEXWTWQISA-N 1 3 329.488 2.686 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001027437399 715796591 /nfs/dbraw/zinc/79/65/91/715796591.db2.gz APMUOXCLKRHZGB-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(F)cc3)C2)CCC1 ZINC001027437399 715796594 /nfs/dbraw/zinc/79/65/94/715796594.db2.gz APMUOXCLKRHZGB-SFHVURJKSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001027440462 715808443 /nfs/dbraw/zinc/80/84/43/715808443.db2.gz GWKCFNQHEBZUPV-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001027440462 715808446 /nfs/dbraw/zinc/80/84/46/715808446.db2.gz GWKCFNQHEBZUPV-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440440 715808694 /nfs/dbraw/zinc/80/86/94/715808694.db2.gz GDCWARULWMEZDI-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001027440440 715808700 /nfs/dbraw/zinc/80/87/00/715808700.db2.gz GDCWARULWMEZDI-LJQANCHMSA-N 1 3 343.515 2.902 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)CCC1 ZINC001027441666 715811719 /nfs/dbraw/zinc/81/17/19/715811719.db2.gz WCARYGNOOMHLBN-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCC1 ZINC001027441666 715811725 /nfs/dbraw/zinc/81/17/25/715811725.db2.gz WCARYGNOOMHLBN-LJQANCHMSA-N 1 3 343.515 2.636 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445070 715821934 /nfs/dbraw/zinc/82/19/34/715821934.db2.gz ZHOJCYRUDURQCX-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001027445070 715821938 /nfs/dbraw/zinc/82/19/38/715821938.db2.gz ZHOJCYRUDURQCX-MSOLQXFVSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027459735 715874829 /nfs/dbraw/zinc/87/48/29/715874829.db2.gz AFISQWPBHIPGNO-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027459735 715874834 /nfs/dbraw/zinc/87/48/34/715874834.db2.gz AFISQWPBHIPGNO-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[N@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCCc2ccccc21 ZINC000972424436 715875389 /nfs/dbraw/zinc/87/53/89/715875389.db2.gz BBXAWZOYKDGYOW-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+]([C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)[C@@H]1CCCc2ccccc21 ZINC000972424436 715875396 /nfs/dbraw/zinc/87/53/96/715875396.db2.gz BBXAWZOYKDGYOW-IEBWSBKVSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430056 715886669 /nfs/dbraw/zinc/88/66/69/715886669.db2.gz YMMJPQUMBCMHKV-QGZVFWFLSA-N 1 3 332.492 2.701 20 0 EFADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430056 715886674 /nfs/dbraw/zinc/88/66/74/715886674.db2.gz YMMJPQUMBCMHKV-QGZVFWFLSA-N 1 3 332.492 2.701 20 0 EFADHO C[N@H+](CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430055 715887345 /nfs/dbraw/zinc/88/73/45/715887345.db2.gz YMMJPQUMBCMHKV-KRWDZBQOSA-N 1 3 332.492 2.701 20 0 EFADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972430055 715887350 /nfs/dbraw/zinc/88/73/50/715887350.db2.gz YMMJPQUMBCMHKV-KRWDZBQOSA-N 1 3 332.492 2.701 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027461490 715889882 /nfs/dbraw/zinc/88/98/82/715889882.db2.gz LPKVDYSFRVHBLQ-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027461490 715889886 /nfs/dbraw/zinc/88/98/86/715889886.db2.gz LPKVDYSFRVHBLQ-RBUKOAKNSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027461940 715893009 /nfs/dbraw/zinc/89/30/09/715893009.db2.gz SIOSWMWQOVUKIU-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027461940 715893014 /nfs/dbraw/zinc/89/30/14/715893014.db2.gz SIOSWMWQOVUKIU-WOJBJXKFSA-N 1 3 345.531 2.801 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)C1CCC1 ZINC000985467028 724432716 /nfs/dbraw/zinc/43/27/16/724432716.db2.gz GLMGAEXXVWKPLY-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)C1CCC1 ZINC000985467028 724432719 /nfs/dbraw/zinc/43/27/19/724432719.db2.gz GLMGAEXXVWKPLY-UHFFFAOYSA-N 1 3 347.478 2.733 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001027217455 715921539 /nfs/dbraw/zinc/92/15/39/715921539.db2.gz LBYTYFTYIBTXNN-LJQANCHMSA-N 1 3 343.515 2.844 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027235610 715949266 /nfs/dbraw/zinc/94/92/66/715949266.db2.gz SWKKWVDNPNXUDM-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csc(C)c2)C1 ZINC001027235902 715949965 /nfs/dbraw/zinc/94/99/65/715949965.db2.gz YANVDWQHEAAJPI-WMZOPIPTSA-N 1 3 349.544 2.869 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001027235298 715958146 /nfs/dbraw/zinc/95/81/46/715958146.db2.gz OTRNKJACIZLBGD-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)cs1 ZINC000985468582 724441725 /nfs/dbraw/zinc/44/17/25/724441725.db2.gz XLHCIWVOTPPCME-UHFFFAOYSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN(C)C3CCC3)CC2)cs1 ZINC000985468582 724441728 /nfs/dbraw/zinc/44/17/28/724441728.db2.gz XLHCIWVOTPPCME-UHFFFAOYSA-N 1 3 349.544 2.964 20 0 EFADHO C[NH+]1CCC(CN[C@H](CCO)c2ccccc2Br)CC1 ZINC000893489053 716011123 /nfs/dbraw/zinc/01/11/23/716011123.db2.gz GGGCKXIGUYKFGP-MRXNPFEDSA-N 1 3 341.293 2.804 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)cs1 ZINC000972483722 716019250 /nfs/dbraw/zinc/01/92/50/716019250.db2.gz WEYKSQBFLBJMQC-GOSISDBHSA-N 1 3 349.544 2.821 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)CC1 ZINC000977214537 716022854 /nfs/dbraw/zinc/02/28/54/716022854.db2.gz DWSCELAZNWULKK-LJQANCHMSA-N 1 3 343.515 2.745 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC000985470158 724443011 /nfs/dbraw/zinc/44/30/11/724443011.db2.gz MHDXEXFRHAKWRR-KURKYZTESA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CCC1 ZINC000985470158 724443012 /nfs/dbraw/zinc/44/30/12/724443012.db2.gz MHDXEXFRHAKWRR-KURKYZTESA-N 1 3 347.547 2.830 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893492533 716027136 /nfs/dbraw/zinc/02/71/36/716027136.db2.gz QASBOLJEZOMGBD-GMNCBBECSA-N 1 3 348.535 2.662 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022975586 716041224 /nfs/dbraw/zinc/04/12/24/716041224.db2.gz OYZFFLQWWFATHO-OWLYRPNTSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022975291 716041971 /nfs/dbraw/zinc/04/19/71/716041971.db2.gz ILFOSQWXRATHDP-HRCADAONSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022975291 716041976 /nfs/dbraw/zinc/04/19/76/716041976.db2.gz ILFOSQWXRATHDP-HRCADAONSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001023024967 716093629 /nfs/dbraw/zinc/09/36/29/716093629.db2.gz OGDFQIAYQUNSML-BMFZPTHFSA-N 1 3 326.444 2.567 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001023024639 716093892 /nfs/dbraw/zinc/09/38/92/716093892.db2.gz CSZJHAMKLPXEQF-CALCHBBNSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001023025025 716094411 /nfs/dbraw/zinc/09/44/11/716094411.db2.gz RFHGFCVDBSMUIR-XBVQOTNRSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001023123113 716161812 /nfs/dbraw/zinc/16/18/12/716161812.db2.gz PPBCWKWKZWGHFX-RWQQGDIJSA-N 1 3 329.488 2.605 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001023124280 716163060 /nfs/dbraw/zinc/16/30/60/716163060.db2.gz DYRLOIIHDGGSAG-NFQUHZNNSA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c(C)c1 ZINC001023124288 716163231 /nfs/dbraw/zinc/16/32/31/716163231.db2.gz FABZHKGYBGNADG-QGZVKYPTSA-N 1 3 343.515 2.913 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCCN3CC)C2)cc1 ZINC001023128690 716165179 /nfs/dbraw/zinc/16/51/79/716165179.db2.gz OTLNZBANQQXWLA-ZCNNSNEGSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001023128635 716165268 /nfs/dbraw/zinc/16/52/68/716165268.db2.gz MUTZYCXEYJHVSZ-WQANXHIZSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001023131133 716166293 /nfs/dbraw/zinc/16/62/93/716166293.db2.gz WPQLRRUQJPRTHJ-WCVJEAGWSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106727 723140327 /nfs/dbraw/zinc/14/03/27/723140327.db2.gz WNFROQSKQJROMH-CRAIPNDOSA-N 1 3 335.492 2.581 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](NC(C)C)c1ccc(OC)cc1 ZINC000896106727 723140329 /nfs/dbraw/zinc/14/03/29/723140329.db2.gz WNFROQSKQJROMH-CRAIPNDOSA-N 1 3 335.492 2.581 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977451472 716228502 /nfs/dbraw/zinc/22/85/02/716228502.db2.gz JFFMQGHIJAJWQQ-OALUTQOASA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977451472 716228504 /nfs/dbraw/zinc/22/85/04/716228504.db2.gz JFFMQGHIJAJWQQ-OALUTQOASA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H](c1ccccc1)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977494373 716265405 /nfs/dbraw/zinc/26/54/05/716265405.db2.gz CDJKQBXVZGDANN-FUHWJXTLSA-N 1 3 341.499 2.670 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC001027651829 716331201 /nfs/dbraw/zinc/33/12/01/716331201.db2.gz OFFWDGFNORUDRI-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001027651829 716331208 /nfs/dbraw/zinc/33/12/08/716331208.db2.gz OFFWDGFNORUDRI-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001027650627 716338517 /nfs/dbraw/zinc/33/85/17/716338517.db2.gz IDZMVGXNKKWRHA-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027650627 716338525 /nfs/dbraw/zinc/33/85/25/716338525.db2.gz IDZMVGXNKKWRHA-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977604465 716391268 /nfs/dbraw/zinc/39/12/68/716391268.db2.gz WKIVNBWRGQEOTN-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(CN2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977604465 716391272 /nfs/dbraw/zinc/39/12/72/716391272.db2.gz WKIVNBWRGQEOTN-MOPGFXCFSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622112 716422544 /nfs/dbraw/zinc/42/25/44/716422544.db2.gz ONMHIQRKFZVENG-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C(C)(C)C1 ZINC000977622112 716422549 /nfs/dbraw/zinc/42/25/49/716422549.db2.gz ONMHIQRKFZVENG-GOSISDBHSA-N 1 3 331.504 2.844 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001023402257 716423219 /nfs/dbraw/zinc/42/32/19/716423219.db2.gz JFRJWCOHIXHXLK-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001023402257 716423222 /nfs/dbraw/zinc/42/32/22/716423222.db2.gz JFRJWCOHIXHXLK-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](CCCF)CC1(C)C ZINC000977622814 716423597 /nfs/dbraw/zinc/42/35/97/716423597.db2.gz STAIWXQLXGFABG-QGZVFWFLSA-N 1 3 335.467 2.548 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](CCCF)CC1(C)C ZINC000977622814 716423601 /nfs/dbraw/zinc/42/36/01/716423601.db2.gz STAIWXQLXGFABG-QGZVFWFLSA-N 1 3 335.467 2.548 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655257 716446811 /nfs/dbraw/zinc/44/68/11/716446811.db2.gz NPHLQSJQPVFXKX-IAGOWNOFSA-N 1 3 349.544 2.949 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655257 716446815 /nfs/dbraw/zinc/44/68/15/716446815.db2.gz NPHLQSJQPVFXKX-IAGOWNOFSA-N 1 3 349.544 2.949 20 0 EFADHO CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638275 716453051 /nfs/dbraw/zinc/45/30/51/716453051.db2.gz ICWZCMRMFDYGAT-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977638275 716453052 /nfs/dbraw/zinc/45/30/52/716453052.db2.gz ICWZCMRMFDYGAT-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978796583 716467389 /nfs/dbraw/zinc/46/73/89/716467389.db2.gz JLHUHOKFRYGDCA-HAGHYFMRSA-N 1 3 349.563 2.980 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCCN3C(C)C)[C@@H]2C1 ZINC000978796583 716467392 /nfs/dbraw/zinc/46/73/92/716467392.db2.gz JLHUHOKFRYGDCA-HAGHYFMRSA-N 1 3 349.563 2.980 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027681465 716510158 /nfs/dbraw/zinc/51/01/58/716510158.db2.gz XMKDYYWSPQOKOC-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001027681465 716510164 /nfs/dbraw/zinc/51/01/64/716510164.db2.gz XMKDYYWSPQOKOC-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027692099 716526409 /nfs/dbraw/zinc/52/64/09/716526409.db2.gz BAMGIXVPUARZOS-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027692099 716526414 /nfs/dbraw/zinc/52/64/14/716526414.db2.gz BAMGIXVPUARZOS-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC001027692823 716542766 /nfs/dbraw/zinc/54/27/66/716542766.db2.gz APZZBESKVKEASG-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027692823 716542768 /nfs/dbraw/zinc/54/27/68/716542768.db2.gz APZZBESKVKEASG-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027693697 716546385 /nfs/dbraw/zinc/54/63/85/716546385.db2.gz GTAMSTZJZXIQPH-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027693697 716546389 /nfs/dbraw/zinc/54/63/89/716546389.db2.gz GTAMSTZJZXIQPH-PMACEKPBSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027562338 716588525 /nfs/dbraw/zinc/58/85/25/716588525.db2.gz NFELKVIMTJDHHJ-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2=CCCCC2)C1)N(C)C ZINC001027562338 716588529 /nfs/dbraw/zinc/58/85/29/716588529.db2.gz NFELKVIMTJDHHJ-RBUKOAKNSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027564468 716593702 /nfs/dbraw/zinc/59/37/02/716593702.db2.gz YMNBSFUIHBZHGN-QZTJIDSGSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001027564468 716593706 /nfs/dbraw/zinc/59/37/06/716593706.db2.gz YMNBSFUIHBZHGN-QZTJIDSGSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027563844 716606464 /nfs/dbraw/zinc/60/64/64/716606464.db2.gz OKAKSTZNXBCEIK-JKSUJKDBSA-N 1 3 345.478 2.541 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([N@@H+](C)CC2CC(F)(F)C2)C1)N(C)C ZINC001027563844 716606466 /nfs/dbraw/zinc/60/64/66/716606466.db2.gz OKAKSTZNXBCEIK-JKSUJKDBSA-N 1 3 345.478 2.541 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001027576926 716700624 /nfs/dbraw/zinc/70/06/24/716700624.db2.gz ZTMARZRMHRHIQG-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001027576926 716700626 /nfs/dbraw/zinc/70/06/26/716700626.db2.gz ZTMARZRMHRHIQG-PKOBYXMFSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027575663 716704552 /nfs/dbraw/zinc/70/45/52/716704552.db2.gz BZMPDFMJNCOKCS-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001027575663 716704554 /nfs/dbraw/zinc/70/45/54/716704554.db2.gz BZMPDFMJNCOKCS-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027575993 716708076 /nfs/dbraw/zinc/70/80/76/716708076.db2.gz HYRPOVXBIKYQKF-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027575993 716708083 /nfs/dbraw/zinc/70/80/83/716708083.db2.gz HYRPOVXBIKYQKF-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027576190 716710353 /nfs/dbraw/zinc/71/03/53/716710353.db2.gz LVCFWZMDJYXHOL-HKUYNNGSSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027576190 716710357 /nfs/dbraw/zinc/71/03/57/716710357.db2.gz LVCFWZMDJYXHOL-HKUYNNGSSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC001027576404 716712643 /nfs/dbraw/zinc/71/26/43/716712643.db2.gz OOCYOCXPDVKOST-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC001027576404 716712645 /nfs/dbraw/zinc/71/26/45/716712645.db2.gz OOCYOCXPDVKOST-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC001027576406 716712712 /nfs/dbraw/zinc/71/27/12/716712712.db2.gz OOCYOCXPDVKOST-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC001027576406 716712716 /nfs/dbraw/zinc/71/27/16/716712716.db2.gz OOCYOCXPDVKOST-PKOBYXMFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3CCCCC3)C2)C1 ZINC001027576499 716713400 /nfs/dbraw/zinc/71/34/00/716713400.db2.gz PWEQXKUWLMEETM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC001027576499 716713406 /nfs/dbraw/zinc/71/34/06/716713406.db2.gz PWEQXKUWLMEETM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC001027576523 716713846 /nfs/dbraw/zinc/71/38/46/716713846.db2.gz QFZOBADQDOZFBE-IRXDYDNUSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC001027576523 716713851 /nfs/dbraw/zinc/71/38/51/716713851.db2.gz QFZOBADQDOZFBE-IRXDYDNUSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576527 716714521 /nfs/dbraw/zinc/71/45/21/716714521.db2.gz QKIMWECFQATYJU-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576527 716714523 /nfs/dbraw/zinc/71/45/23/716714523.db2.gz QKIMWECFQATYJU-HKUYNNGSSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576552 716714649 /nfs/dbraw/zinc/71/46/49/716714649.db2.gz RESQHDPEVRYBIB-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001027576552 716714651 /nfs/dbraw/zinc/71/46/51/716714651.db2.gz RESQHDPEVRYBIB-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027576538 716715096 /nfs/dbraw/zinc/71/50/96/716715096.db2.gz QYJXXHITJKBGAD-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027576538 716715098 /nfs/dbraw/zinc/71/50/98/716715098.db2.gz QYJXXHITJKBGAD-ICSRJNTNSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001027576698 716715551 /nfs/dbraw/zinc/71/55/51/716715551.db2.gz UWBCRIVWMKCGSI-WBVHZDCISA-N 1 3 335.517 2.655 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](N(C)Cc2ccsc2)C1 ZINC001027576698 716715558 /nfs/dbraw/zinc/71/55/58/716715558.db2.gz UWBCRIVWMKCGSI-WBVHZDCISA-N 1 3 335.517 2.655 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576689 716715752 /nfs/dbraw/zinc/71/57/52/716715752.db2.gz USKRTXBPKAOEFH-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576689 716715755 /nfs/dbraw/zinc/71/57/55/716715755.db2.gz USKRTXBPKAOEFH-QFBILLFUSA-N 1 3 347.478 2.590 20 0 EFADHO CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577511 716722233 /nfs/dbraw/zinc/72/22/33/716722233.db2.gz MPMNWBLOJREITQ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577511 716722237 /nfs/dbraw/zinc/72/22/37/716722237.db2.gz MPMNWBLOJREITQ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027578740 716735392 /nfs/dbraw/zinc/73/53/92/716735392.db2.gz SIOSWMWQOVUKIU-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccc(C)cc2)C1)N(C)C ZINC001027578740 716735397 /nfs/dbraw/zinc/73/53/97/716735397.db2.gz SIOSWMWQOVUKIU-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC001027579106 716740263 /nfs/dbraw/zinc/74/02/63/716740263.db2.gz BSEWBSWUSQTYRB-WBVHZDCISA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC001027579106 716740266 /nfs/dbraw/zinc/74/02/66/716740266.db2.gz BSEWBSWUSQTYRB-WBVHZDCISA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC000978141722 716838760 /nfs/dbraw/zinc/83/87/60/716838760.db2.gz GNCGAIQODJRMFS-HAGHYFMRSA-N 1 3 345.531 2.654 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC000978141722 716838765 /nfs/dbraw/zinc/83/87/65/716838765.db2.gz GNCGAIQODJRMFS-HAGHYFMRSA-N 1 3 345.531 2.654 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594904 716879997 /nfs/dbraw/zinc/87/99/97/716879997.db2.gz QCYLIERGLIMOQM-CRAIPNDOSA-N 1 3 326.444 2.636 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594904 716880000 /nfs/dbraw/zinc/88/00/00/716880000.db2.gz QCYLIERGLIMOQM-CRAIPNDOSA-N 1 3 326.444 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000978225056 716914320 /nfs/dbraw/zinc/91/43/20/716914320.db2.gz BBRDSCVXAKPTJQ-AKHDSKFASA-N 1 3 335.536 2.591 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000978225056 716914323 /nfs/dbraw/zinc/91/43/23/716914323.db2.gz BBRDSCVXAKPTJQ-AKHDSKFASA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027602579 716931413 /nfs/dbraw/zinc/93/14/13/716931413.db2.gz XUYFMYLFDLLRIG-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027602579 716931415 /nfs/dbraw/zinc/93/14/15/716931415.db2.gz XUYFMYLFDLLRIG-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CCC3CC3)C2)c1 ZINC001023761745 716974275 /nfs/dbraw/zinc/97/42/75/716974275.db2.gz IEVZZMUWRNFEFV-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001023761745 716974279 /nfs/dbraw/zinc/97/42/79/716974279.db2.gz IEVZZMUWRNFEFV-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO Cc1nc(Nc2ccccc2)cc(N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000892403466 717053794 /nfs/dbraw/zinc/05/37/94/717053794.db2.gz WSOZRBRLHRVUNQ-HNNXBMFYSA-N 1 3 340.475 2.576 20 0 EFADHO Cc1nc(Nc2ccccc2)cc(N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000892403467 717055710 /nfs/dbraw/zinc/05/57/10/717055710.db2.gz WSOZRBRLHRVUNQ-OAHLLOKOSA-N 1 3 340.475 2.576 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1F ZINC000972731369 717159551 /nfs/dbraw/zinc/15/95/51/717159551.db2.gz FGYDJLIOEARFMK-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1F ZINC000972731369 717159553 /nfs/dbraw/zinc/15/95/53/717159553.db2.gz FGYDJLIOEARFMK-QZTJIDSGSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC000972731372 717159603 /nfs/dbraw/zinc/15/96/03/717159603.db2.gz FGYDJLIOEARFMK-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC000972731372 717159605 /nfs/dbraw/zinc/15/96/05/717159605.db2.gz FGYDJLIOEARFMK-ROUUACIJSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000972734395 717161414 /nfs/dbraw/zinc/16/14/14/717161414.db2.gz YLEFMOMUEHFUPV-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000972734395 717161416 /nfs/dbraw/zinc/16/14/16/717161416.db2.gz YLEFMOMUEHFUPV-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734396 717161572 /nfs/dbraw/zinc/16/15/72/717161572.db2.gz YLEFMOMUEHFUPV-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734396 717161573 /nfs/dbraw/zinc/16/15/73/717161573.db2.gz YLEFMOMUEHFUPV-VQIMIIECSA-N 1 3 347.478 2.509 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972741223 717172812 /nfs/dbraw/zinc/17/28/12/717172812.db2.gz XGJWHNDELRIMPR-MAUKXSAKSA-N 1 3 345.462 2.515 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980397274 717207690 /nfs/dbraw/zinc/20/76/90/717207690.db2.gz OQEFWGNUSXBMDM-AEFFLSMTSA-N 1 3 349.906 2.633 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980397274 717207694 /nfs/dbraw/zinc/20/76/94/717207694.db2.gz OQEFWGNUSXBMDM-AEFFLSMTSA-N 1 3 349.906 2.633 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001024016219 717212601 /nfs/dbraw/zinc/21/26/01/717212601.db2.gz BCAPBEWXYYCEGR-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001024017033 717214843 /nfs/dbraw/zinc/21/48/43/717214843.db2.gz RSFONUULQQNJQO-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001024017035 717214997 /nfs/dbraw/zinc/21/49/97/717214997.db2.gz RSFONUULQQNJQO-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001024019136 717216534 /nfs/dbraw/zinc/21/65/34/717216534.db2.gz VKPQGRSYFGHFIK-VQIMIIECSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404906 717218329 /nfs/dbraw/zinc/21/83/29/717218329.db2.gz FACYFIGTMYLWIQ-YJBOKZPZSA-N 1 3 333.451 2.515 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404906 717218332 /nfs/dbraw/zinc/21/83/32/717218332.db2.gz FACYFIGTMYLWIQ-YJBOKZPZSA-N 1 3 333.451 2.515 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001024017792 717218801 /nfs/dbraw/zinc/21/88/01/717218801.db2.gz XQRGEYVANGZBBY-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001024018896 717221198 /nfs/dbraw/zinc/22/11/98/717221198.db2.gz UABDKOMQMZVTJD-MAUKXSAKSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001024029023 717232058 /nfs/dbraw/zinc/23/20/58/717232058.db2.gz RCOMETQCQXXXPU-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001024026193 717236269 /nfs/dbraw/zinc/23/62/69/717236269.db2.gz BHOGPPMHFMDSFP-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2F)C1)N(C)C ZINC001024038499 717249605 /nfs/dbraw/zinc/24/96/05/717249605.db2.gz HSBVMZYVJVURQQ-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001024039253 717249627 /nfs/dbraw/zinc/24/96/27/717249627.db2.gz SGBQRHZNFMWJNQ-RTBURBONSA-N 1 3 349.494 2.825 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1 ZINC000980479785 717323670 /nfs/dbraw/zinc/32/36/70/717323670.db2.gz XLNBVAXIBHBEOL-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC000980479785 717323674 /nfs/dbraw/zinc/32/36/74/717323674.db2.gz XLNBVAXIBHBEOL-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO COc1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c(C)c1 ZINC000893563318 717330952 /nfs/dbraw/zinc/33/09/52/717330952.db2.gz AWFYZUYFNMVYFP-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000980482674 717339598 /nfs/dbraw/zinc/33/95/98/717339598.db2.gz BFQPULALHRVJCG-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000980482674 717339603 /nfs/dbraw/zinc/33/96/03/717339603.db2.gz BFQPULALHRVJCG-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C)C1 ZINC000980483002 717340739 /nfs/dbraw/zinc/34/07/39/717340739.db2.gz GFSGCTNHTIZJMP-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC000980483002 717340745 /nfs/dbraw/zinc/34/07/45/717340745.db2.gz GFSGCTNHTIZJMP-VQTJNVASSA-N 1 3 343.515 2.902 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC000979718728 717377694 /nfs/dbraw/zinc/37/76/94/717377694.db2.gz WDZQPBZAUZJALF-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CC3)C[C@@H]2C1)N1CCCCC1 ZINC000979718728 717377698 /nfs/dbraw/zinc/37/76/98/717377698.db2.gz WDZQPBZAUZJALF-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CC3)C[C@H]2C1)N1CCCCC1 ZINC000979718734 717377892 /nfs/dbraw/zinc/37/78/92/717377892.db2.gz WDZQPBZAUZJALF-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@H]2C1)N1CCCCC1 ZINC000979718734 717377896 /nfs/dbraw/zinc/37/78/96/717377896.db2.gz WDZQPBZAUZJALF-GUDVDZBRSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001024155826 717449751 /nfs/dbraw/zinc/44/97/51/717449751.db2.gz ANNWXJDAPOULAD-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001024156023 717450502 /nfs/dbraw/zinc/45/05/02/717450502.db2.gz HCLSBYOZKPENQS-MOPGFXCFSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001024156909 717451782 /nfs/dbraw/zinc/45/17/82/717451782.db2.gz VDWCZIXSOFHAMS-QUCCMNQESA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC001024162185 717457772 /nfs/dbraw/zinc/45/77/72/717457772.db2.gz SGBQRHZNFMWJNQ-OALUTQOASA-N 1 3 349.494 2.825 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)CN1C(=O)CN(C)C1CCC1 ZINC000980605707 717477212 /nfs/dbraw/zinc/47/72/12/717477212.db2.gz VOQZTKVWUFWZKU-JKSUJKDBSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001024178818 717477399 /nfs/dbraw/zinc/47/73/99/717477399.db2.gz FLSWZGJVVOQTJN-CABCVRRESA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000980605897 717477798 /nfs/dbraw/zinc/47/77/98/717477798.db2.gz YDYPRHADOIBZRW-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001024179258 717477893 /nfs/dbraw/zinc/47/78/93/717477893.db2.gz LCCKVGULCHRXOU-HNNXBMFYSA-N 1 3 346.862 2.634 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000980605900 717477971 /nfs/dbraw/zinc/47/79/71/717477971.db2.gz YDYPRHADOIBZRW-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)CN1C(=O)CN(C)C1CCC1 ZINC000980606353 717478624 /nfs/dbraw/zinc/47/86/24/717478624.db2.gz CDPMRJNLQJSWQH-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001024179551 717478895 /nfs/dbraw/zinc/47/88/95/717478895.db2.gz NMKSQKPJLQTDLC-OAHLLOKOSA-N 1 3 346.500 2.659 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CCc2cccs2)CC1)C1CC1 ZINC000985471472 724445425 /nfs/dbraw/zinc/44/54/25/724445425.db2.gz VDXNBBUVWTYBRJ-SFHVURJKSA-N 1 3 349.544 2.554 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000980607308 717487419 /nfs/dbraw/zinc/48/74/19/717487419.db2.gz MZADDHRNIFVPLO-MSOLQXFVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cs1 ZINC000980606933 717487536 /nfs/dbraw/zinc/48/75/36/717487536.db2.gz JEZMOURHOIEYRK-GDBMZVCRSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608009 717489043 /nfs/dbraw/zinc/48/90/43/717489043.db2.gz XZYYNIBBVBARFO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CCc2cccs2)CC1)C1CC1 ZINC000985471472 724445426 /nfs/dbraw/zinc/44/54/26/724445426.db2.gz VDXNBBUVWTYBRJ-SFHVURJKSA-N 1 3 349.544 2.554 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](C)CCc3cccs3)CC2)CCC1 ZINC000985471614 724445697 /nfs/dbraw/zinc/44/56/97/724445697.db2.gz WNVKBIUHVYUENJ-UHFFFAOYSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](C)CCc3cccs3)CC2)CCC1 ZINC000985471614 724445698 /nfs/dbraw/zinc/44/56/98/724445698.db2.gz WNVKBIUHVYUENJ-UHFFFAOYSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1)C1CCC1 ZINC000985474431 724447230 /nfs/dbraw/zinc/44/72/30/724447230.db2.gz ZZWOTPMMTOOQLT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1)C1CCC1 ZINC000985474431 724447233 /nfs/dbraw/zinc/44/72/33/724447233.db2.gz ZZWOTPMMTOOQLT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001024278069 717563163 /nfs/dbraw/zinc/56/31/63/717563163.db2.gz AZYIEYUMCWYIMG-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000980704388 717609934 /nfs/dbraw/zinc/60/99/34/717609934.db2.gz NSLAGPPNATWORM-IRXDYDNUSA-N 1 3 340.471 2.596 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC000980708328 717615590 /nfs/dbraw/zinc/61/55/90/717615590.db2.gz JYSFGCOKUYHYHS-CRAIPNDOSA-N 1 3 340.471 2.541 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000980740153 717659059 /nfs/dbraw/zinc/65/90/59/717659059.db2.gz VGJSYNRRQSTNAC-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1F ZINC000980800298 717762837 /nfs/dbraw/zinc/76/28/37/717762837.db2.gz PDJQATHTYVPQJW-FUHWJXTLSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000980802041 717766916 /nfs/dbraw/zinc/76/69/16/717766916.db2.gz XOIQMCMKXAWXPI-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980799595 717773737 /nfs/dbraw/zinc/77/37/37/717773737.db2.gz IZZREUDRDMUKLS-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811867 717789467 /nfs/dbraw/zinc/78/94/67/717789467.db2.gz SMILMERVFHPADI-LPHOPBHVSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001029756647 724471803 /nfs/dbraw/zinc/47/18/03/724471803.db2.gz ZIAOPIDKNDSUGH-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)CCC1 ZINC001029756647 724471805 /nfs/dbraw/zinc/47/18/05/724471805.db2.gz ZIAOPIDKNDSUGH-MRXNPFEDSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756580 724472172 /nfs/dbraw/zinc/47/21/72/724472172.db2.gz XWMPSPAAYXSHFO-CRAIPNDOSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001029756580 724472173 /nfs/dbraw/zinc/47/21/73/724472173.db2.gz XWMPSPAAYXSHFO-CRAIPNDOSA-N 1 3 335.536 2.543 20 0 EFADHO C[C@H](c1ccccc1)N1CCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001027992523 717827975 /nfs/dbraw/zinc/82/79/75/717827975.db2.gz BWSDALBDFVXGAI-MJGOQNOKSA-N 1 3 341.499 2.957 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C1)N1CCCC1 ZINC000980169041 717836809 /nfs/dbraw/zinc/83/68/09/717836809.db2.gz HOOXDJJDSNSDHW-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1)N1CCCC1 ZINC000980169041 717836816 /nfs/dbraw/zinc/83/68/16/717836816.db2.gz HOOXDJJDSNSDHW-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001029754576 724473627 /nfs/dbraw/zinc/47/36/27/724473627.db2.gz BCUCNKRMIJGCGO-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3=CCCCC3)C2)CCC1 ZINC001029754576 724473628 /nfs/dbraw/zinc/47/36/28/724473628.db2.gz BCUCNKRMIJGCGO-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980174265 717858223 /nfs/dbraw/zinc/85/82/23/717858223.db2.gz UMFVGQVIMYAUKR-OKZBNKHCSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@H]2C1 ZINC000980174265 717858227 /nfs/dbraw/zinc/85/82/27/717858227.db2.gz UMFVGQVIMYAUKR-OKZBNKHCSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980174269 717858451 /nfs/dbraw/zinc/85/84/51/717858451.db2.gz UMFVGQVIMYAUKR-RCCFBDPRSA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C[C@@H]2C1 ZINC000980174269 717858455 /nfs/dbraw/zinc/85/84/55/717858455.db2.gz UMFVGQVIMYAUKR-RCCFBDPRSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904481 724475709 /nfs/dbraw/zinc/47/57/09/724475709.db2.gz XBLQYKKYDLIIAP-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904481 724475710 /nfs/dbraw/zinc/47/57/10/724475710.db2.gz XBLQYKKYDLIIAP-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001027918612 718095461 /nfs/dbraw/zinc/09/54/61/718095461.db2.gz OXOXEZSUFUMYBU-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C)c1 ZINC001027918612 718095465 /nfs/dbraw/zinc/09/54/65/718095465.db2.gz OXOXEZSUFUMYBU-PMACEKPBSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001029761540 724482207 /nfs/dbraw/zinc/48/22/07/724482207.db2.gz UKEGFVUBIYJOOP-UXHICEINSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001029761540 724482210 /nfs/dbraw/zinc/48/22/10/724482210.db2.gz UKEGFVUBIYJOOP-UXHICEINSA-N 1 3 345.531 2.862 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029761370 724482440 /nfs/dbraw/zinc/48/24/40/724482440.db2.gz RAMKGTBVOZAGAX-MJGOQNOKSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029761370 724482441 /nfs/dbraw/zinc/48/24/41/724482441.db2.gz RAMKGTBVOZAGAX-MJGOQNOKSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001024759169 718142959 /nfs/dbraw/zinc/14/29/59/718142959.db2.gz FMDUUNUOXSNXSU-IBGZPJMESA-N 1 3 341.499 2.562 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029766770 724484428 /nfs/dbraw/zinc/48/44/28/724484428.db2.gz GFEQMZIXKADXSP-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001029766770 724484430 /nfs/dbraw/zinc/48/44/30/724484430.db2.gz GFEQMZIXKADXSP-QFBILLFUSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029767546 724486007 /nfs/dbraw/zinc/48/60/07/724486007.db2.gz UHLRAVPFRPSAFW-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029767546 724486009 /nfs/dbraw/zinc/48/60/09/724486009.db2.gz UHLRAVPFRPSAFW-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001024803154 718169825 /nfs/dbraw/zinc/16/98/25/718169825.db2.gz GCBFVPXRZRKEGH-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001024803154 718169827 /nfs/dbraw/zinc/16/98/27/718169827.db2.gz GCBFVPXRZRKEGH-VQTJNVASSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001024900329 718211980 /nfs/dbraw/zinc/21/19/80/718211980.db2.gz ASIURUFXZVQVHZ-RTBURBONSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC001024902387 718213590 /nfs/dbraw/zinc/21/35/90/718213590.db2.gz PUIUHPGWZWSOTC-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CCCN2C)c(C)s1 ZINC001024902754 718213875 /nfs/dbraw/zinc/21/38/75/718213875.db2.gz ZVJPTMCTKIOQMH-MSOLQXFVSA-N 1 3 349.544 2.930 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892530448 718218170 /nfs/dbraw/zinc/21/81/70/718218170.db2.gz OFXFTLFBAQGVGO-RTBURBONSA-N 1 3 346.519 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001024985179 718248408 /nfs/dbraw/zinc/24/84/08/718248408.db2.gz LXNMGXXYMVSSPT-SFHVURJKSA-N 1 3 333.520 2.942 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001024985361 718249601 /nfs/dbraw/zinc/24/96/01/718249601.db2.gz NZMFLKBPPIEUBH-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCCC1)C1CC1 ZINC001024985840 718249810 /nfs/dbraw/zinc/24/98/10/718249810.db2.gz UJBUKQHXEYIWFT-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001024998686 718255747 /nfs/dbraw/zinc/25/57/47/718255747.db2.gz ILTFCDCSTWUWIA-IEBWSBKVSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001024999666 718256334 /nfs/dbraw/zinc/25/63/34/718256334.db2.gz YVYUSRDHADTONL-SJLPKXTDSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001024999493 718257590 /nfs/dbraw/zinc/25/75/90/718257590.db2.gz XDLQJKKIHIVZSK-RTBURBONSA-N 1 3 349.494 2.945 20 0 EFADHO CCOC(=O)c1ncc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)s1 ZINC000892585442 718311592 /nfs/dbraw/zinc/31/15/92/718311592.db2.gz UQRLTDOCXNEFIY-CQSZACIVSA-N 1 3 339.505 2.922 20 0 EFADHO CCOC(=O)c1ncc(CNCCCC[N@H+]2CCC[C@@H](C)C2)s1 ZINC000892585442 718311593 /nfs/dbraw/zinc/31/15/93/718311593.db2.gz UQRLTDOCXNEFIY-CQSZACIVSA-N 1 3 339.505 2.922 20 0 EFADHO CCO[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@H]1OC ZINC000892607991 718336052 /nfs/dbraw/zinc/33/60/52/718336052.db2.gz XETMVZRULNEVRA-VAMGGRTRSA-N 1 3 332.488 2.741 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)N(C)C ZINC001025073560 718341591 /nfs/dbraw/zinc/34/15/91/718341591.db2.gz LOFMWKBKCKRSHS-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001025083573 718349730 /nfs/dbraw/zinc/34/97/30/718349730.db2.gz AMWLZXCDWABWLI-QFBILLFUSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC001025083702 718349736 /nfs/dbraw/zinc/34/97/36/718349736.db2.gz BYYKRIPQKOZHPO-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001025085967 718350897 /nfs/dbraw/zinc/35/08/97/718350897.db2.gz YJHKQDYEMKAADW-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1C ZINC001025085324 718351063 /nfs/dbraw/zinc/35/10/63/718351063.db2.gz PLAISZYPCLYKMD-AZUAARDMSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)C1 ZINC001025085551 718351510 /nfs/dbraw/zinc/35/15/10/718351510.db2.gz SBEMKYAIMOIPFE-PKOBYXMFSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001025087592 718352114 /nfs/dbraw/zinc/35/21/14/718352114.db2.gz HUUMKUAFLBTVBN-MJGOQNOKSA-N 1 3 347.503 2.506 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC001025088354 718352919 /nfs/dbraw/zinc/35/29/19/718352919.db2.gz UOHPKLLZDIQBOT-MSOLQXFVSA-N 1 3 335.467 2.637 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001025098363 718358178 /nfs/dbraw/zinc/35/81/78/718358178.db2.gz PYSPZLVUQVULHG-SJLPKXTDSA-N 1 3 340.471 2.993 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001007376945 718376189 /nfs/dbraw/zinc/37/61/89/718376189.db2.gz OVQDJGCHDRITKM-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001007376945 718376190 /nfs/dbraw/zinc/37/61/90/718376190.db2.gz OVQDJGCHDRITKM-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001025160454 718393044 /nfs/dbraw/zinc/39/30/44/718393044.db2.gz MUKWKHSCHGKIPY-DLBZAZTESA-N 1 3 347.478 2.953 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289202 718526915 /nfs/dbraw/zinc/52/69/15/718526915.db2.gz OETQKCDCFTXBFD-CVEARBPZSA-N 1 3 332.492 2.943 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289202 718526917 /nfs/dbraw/zinc/52/69/17/718526917.db2.gz OETQKCDCFTXBFD-CVEARBPZSA-N 1 3 332.492 2.943 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981283396 718597243 /nfs/dbraw/zinc/59/72/43/718597243.db2.gz UWIFXROSZJBUBT-SFHVURJKSA-N 1 3 349.544 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981283396 718597245 /nfs/dbraw/zinc/59/72/45/718597245.db2.gz UWIFXROSZJBUBT-SFHVURJKSA-N 1 3 349.544 2.699 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981330244 718632078 /nfs/dbraw/zinc/63/20/78/718632078.db2.gz AZRJGNVTMQOYAQ-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000981330244 718632082 /nfs/dbraw/zinc/63/20/82/718632082.db2.gz AZRJGNVTMQOYAQ-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1cc(C(F)(F)F)nn1CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925804608 718638429 /nfs/dbraw/zinc/63/84/29/718638429.db2.gz KMIFUFSYZJOIPL-BFHYXJOUSA-N 1 3 330.398 2.721 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000981486609 718754509 /nfs/dbraw/zinc/75/45/09/718754509.db2.gz OOBQBOPJFBKIFX-MSOLQXFVSA-N 1 3 340.471 2.786 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000981487810 718755918 /nfs/dbraw/zinc/75/59/18/718755918.db2.gz STSBJNDEQQFEAO-SJORKVTESA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC000981489000 718756700 /nfs/dbraw/zinc/75/67/00/718756700.db2.gz YDHNWRPZPWNJLN-DLBZAZTESA-N 1 3 344.503 2.858 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3NCCO[C@@H]3C2)nc1 ZINC001164390029 718825798 /nfs/dbraw/zinc/82/57/98/718825798.db2.gz LEYTUIJPCZEKTK-GUDVDZBRSA-N 1 3 344.503 2.586 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]3NCCO[C@@H]3C2)nc1 ZINC001164390029 718825799 /nfs/dbraw/zinc/82/57/99/718825799.db2.gz LEYTUIJPCZEKTK-GUDVDZBRSA-N 1 3 344.503 2.586 20 0 EFADHO Cc1cc(C[N@H+]2CCCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC000981665481 718927716 /nfs/dbraw/zinc/92/77/16/718927716.db2.gz DJATVJDCNOKQNE-QGZVFWFLSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@H]4CCCN4C)C3)C2)cs1 ZINC000981665481 718927717 /nfs/dbraw/zinc/92/77/17/718927717.db2.gz DJATVJDCNOKQNE-QGZVFWFLSA-N 1 3 347.528 2.575 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981688342 718943628 /nfs/dbraw/zinc/94/36/28/718943628.db2.gz XNNSIMDWYSIULX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 ZINC000981688342 718943629 /nfs/dbraw/zinc/94/36/29/718943629.db2.gz XNNSIMDWYSIULX-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001029920388 724547884 /nfs/dbraw/zinc/54/78/84/724547884.db2.gz WDJYEXFDUVUGNJ-YZGWKJHDSA-N 1 3 343.515 2.840 20 0 EFADHO CCN1CCC[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001029920388 724547885 /nfs/dbraw/zinc/54/78/85/724547885.db2.gz WDJYEXFDUVUGNJ-YZGWKJHDSA-N 1 3 343.515 2.840 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001028117701 718974989 /nfs/dbraw/zinc/97/49/89/718974989.db2.gz SJSWYKLUWJJILH-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(OC(C)C)c2)C1)N(C)C ZINC001019397411 719024246 /nfs/dbraw/zinc/02/42/46/719024246.db2.gz YNAHDDFYHPTTRT-HKUYNNGSSA-N 1 3 347.503 2.505 20 0 EFADHO CN(C)Cc1ccnc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)c1 ZINC001164624752 719048728 /nfs/dbraw/zinc/04/87/28/719048728.db2.gz OWHUBXJJYRAFBT-FPOVZHCZSA-N 1 3 336.483 2.727 20 0 EFADHO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981809537 719070598 /nfs/dbraw/zinc/07/05/98/719070598.db2.gz LWANPAMSVXHKAC-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CCCN(CC2CC2)CC1 ZINC000981809537 719070603 /nfs/dbraw/zinc/07/06/03/719070603.db2.gz LWANPAMSVXHKAC-IBGZPJMESA-N 1 3 333.520 2.728 20 0 EFADHO CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812021 719071524 /nfs/dbraw/zinc/07/15/24/719071524.db2.gz DVLOQMIEWGSTJM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC000981812021 719071529 /nfs/dbraw/zinc/07/15/29/719071529.db2.gz DVLOQMIEWGSTJM-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2)C1CC1 ZINC000981812889 719072585 /nfs/dbraw/zinc/07/25/85/719072585.db2.gz XGUQRTGZBKRBOG-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2)C1CC1 ZINC000981812889 719072587 /nfs/dbraw/zinc/07/25/87/719072587.db2.gz XGUQRTGZBKRBOG-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981896009 719175173 /nfs/dbraw/zinc/17/51/73/719175173.db2.gz BFEZSTBPEVQNHP-HXUWFJFHSA-N 1 3 345.531 2.924 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000981896009 719175176 /nfs/dbraw/zinc/17/51/76/719175176.db2.gz BFEZSTBPEVQNHP-HXUWFJFHSA-N 1 3 345.531 2.924 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC000981898423 719178099 /nfs/dbraw/zinc/17/80/99/719178099.db2.gz KTDPUYZGGDOOLJ-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC000981898423 719178101 /nfs/dbraw/zinc/17/81/01/719178101.db2.gz KTDPUYZGGDOOLJ-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](CCCF)C1 ZINC001025626814 719249781 /nfs/dbraw/zinc/24/97/81/719249781.db2.gz FZHOKFNMZYCROD-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001025626814 719249783 /nfs/dbraw/zinc/24/97/83/719249783.db2.gz FZHOKFNMZYCROD-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025778870 719313274 /nfs/dbraw/zinc/31/32/74/719313274.db2.gz OQKVZEBXGFGSSQ-LFAQGZIKSA-N 1 3 341.499 2.667 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001025778870 719313277 /nfs/dbraw/zinc/31/32/77/719313277.db2.gz OQKVZEBXGFGSSQ-LFAQGZIKSA-N 1 3 341.499 2.667 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025779018 719313319 /nfs/dbraw/zinc/31/33/19/719313319.db2.gz OQKVZEBXGFGSSQ-PKOFMYQESA-N 1 3 341.499 2.667 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025779018 719313323 /nfs/dbraw/zinc/31/33/23/719313323.db2.gz OQKVZEBXGFGSSQ-PKOFMYQESA-N 1 3 341.499 2.667 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001019822939 719392125 /nfs/dbraw/zinc/39/21/25/719392125.db2.gz PTCHKKTXTBFYNV-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2 ZINC000982011654 719435087 /nfs/dbraw/zinc/43/50/87/719435087.db2.gz HNPKZRGYIPJTLR-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CC(C)(C)C1)C2 ZINC000982011654 719435090 /nfs/dbraw/zinc/43/50/90/719435090.db2.gz HNPKZRGYIPJTLR-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982011388 719435617 /nfs/dbraw/zinc/43/56/17/719435617.db2.gz ABZGVTULBCAQMP-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982011388 719435619 /nfs/dbraw/zinc/43/56/19/719435619.db2.gz ABZGVTULBCAQMP-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC000982012444 719436274 /nfs/dbraw/zinc/43/62/74/719436274.db2.gz XFFHTFMWAHNWQD-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC000982012444 719436276 /nfs/dbraw/zinc/43/62/76/719436276.db2.gz XFFHTFMWAHNWQD-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000982011810 719438448 /nfs/dbraw/zinc/43/84/48/719438448.db2.gz JWLGWZPBVMPCJJ-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000982011810 719438450 /nfs/dbraw/zinc/43/84/50/719438450.db2.gz JWLGWZPBVMPCJJ-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052255 719507272 /nfs/dbraw/zinc/50/72/72/719507272.db2.gz FNGLYQDXABFEBH-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC000982052255 719507273 /nfs/dbraw/zinc/50/72/73/719507273.db2.gz FNGLYQDXABFEBH-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339642 719513727 /nfs/dbraw/zinc/51/37/27/719513727.db2.gz JAIKCAXLLKPVRM-MSOLQXFVSA-N 1 3 335.536 2.591 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC(C)(C)C2)C1 ZINC001038339642 719513733 /nfs/dbraw/zinc/51/37/33/719513733.db2.gz JAIKCAXLLKPVRM-MSOLQXFVSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@H](C(=O)N1CCC[N@H+](CC2CCCC2)CC1)N1CCCCCC1 ZINC000982080902 719544347 /nfs/dbraw/zinc/54/43/47/719544347.db2.gz DVJABULQMBWIBU-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO C[C@H](C(=O)N1CCC[N@@H+](CC2CCCC2)CC1)N1CCCCCC1 ZINC000982080902 719544349 /nfs/dbraw/zinc/54/43/49/719544349.db2.gz DVJABULQMBWIBU-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925835928 719557338 /nfs/dbraw/zinc/55/73/38/719557338.db2.gz VUHLKRJMKMHELN-BZUAXINKSA-N 1 3 333.442 2.771 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1 ZINC000925835928 719557341 /nfs/dbraw/zinc/55/73/41/719557341.db2.gz VUHLKRJMKMHELN-BZUAXINKSA-N 1 3 333.442 2.771 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343236 719589352 /nfs/dbraw/zinc/58/93/52/719589352.db2.gz YIRFYCJPXBQPOB-RTBURBONSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038343236 719589355 /nfs/dbraw/zinc/58/93/55/719589355.db2.gz YIRFYCJPXBQPOB-RTBURBONSA-N 1 3 347.547 2.735 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163520 719607529 /nfs/dbraw/zinc/60/75/29/719607529.db2.gz DLNUVUNJDLGSJU-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3CC)C2)C1 ZINC000982163520 719607532 /nfs/dbraw/zinc/60/75/32/719607532.db2.gz DLNUVUNJDLGSJU-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC000982163600 719608734 /nfs/dbraw/zinc/60/87/34/719608734.db2.gz IZXZGEQHEKICHZ-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC=C(C)C)C2 ZINC000982163600 719608736 /nfs/dbraw/zinc/60/87/36/719608736.db2.gz IZXZGEQHEKICHZ-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2 ZINC000982161636 719620211 /nfs/dbraw/zinc/62/02/11/719620211.db2.gz YYRPYDMPLSWISN-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC000982161636 719620216 /nfs/dbraw/zinc/62/02/16/719620216.db2.gz YYRPYDMPLSWISN-QZTJIDSGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982161517 719620398 /nfs/dbraw/zinc/62/03/98/719620398.db2.gz UAWBMHPXDGZXHM-CALCHBBNSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982161517 719620400 /nfs/dbraw/zinc/62/04/00/719620400.db2.gz UAWBMHPXDGZXHM-CALCHBBNSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000982161519 719620435 /nfs/dbraw/zinc/62/04/35/719620435.db2.gz UAWBMHPXDGZXHM-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000982161519 719620438 /nfs/dbraw/zinc/62/04/38/719620438.db2.gz UAWBMHPXDGZXHM-IRXDYDNUSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000261561082 719629936 /nfs/dbraw/zinc/62/99/36/719629936.db2.gz VAWXRMUIPIMQKG-SCTDSRPQSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001026043336 719672830 /nfs/dbraw/zinc/67/28/30/719672830.db2.gz KOCBJDCUHWDEHV-YLCUBWEDSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001026043336 719672832 /nfs/dbraw/zinc/67/28/32/719672832.db2.gz KOCBJDCUHWDEHV-YLCUBWEDSA-N 1 3 341.499 2.526 20 0 EFADHO FC(F)(F)Sc1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261640088 719832454 /nfs/dbraw/zinc/83/24/54/719832454.db2.gz DUGAAHASLADAEV-AWEZNQCLSA-N 1 3 345.434 2.778 20 0 EFADHO FC(F)(F)Sc1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261640092 719832685 /nfs/dbraw/zinc/83/26/85/719832685.db2.gz DUGAAHASLADAEV-CQSZACIVSA-N 1 3 345.434 2.778 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296386 719838196 /nfs/dbraw/zinc/83/81/96/719838196.db2.gz RVVSPNCLPQNUIU-KDURUIRLSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C3(N(C)C)CCC3)C[C@@]2(C)C1 ZINC000982296386 719838202 /nfs/dbraw/zinc/83/82/02/719838202.db2.gz RVVSPNCLPQNUIU-KDURUIRLSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@]3(C)C2)C1 ZINC000982295722 719841073 /nfs/dbraw/zinc/84/10/73/719841073.db2.gz BRKSCZXJWWDZGN-JOJQOHTNSA-N 1 3 347.547 2.543 20 0 EFADHO CC1CC(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H](C4CC4)N(C)C)C[C@@]3(C)C2)C1 ZINC000982295722 719841080 /nfs/dbraw/zinc/84/10/80/719841080.db2.gz BRKSCZXJWWDZGN-JOJQOHTNSA-N 1 3 347.547 2.543 20 0 EFADHO CN(CC(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1)C1CCC1 ZINC000982297589 719842515 /nfs/dbraw/zinc/84/25/15/719842515.db2.gz NZZJQXXGDHCOQU-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1)C1CCC1 ZINC000982297589 719842520 /nfs/dbraw/zinc/84/25/20/719842520.db2.gz NZZJQXXGDHCOQU-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297741 719844031 /nfs/dbraw/zinc/84/40/31/719844031.db2.gz PBFXGPFMADUDFH-BGYRXZFFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297741 719844036 /nfs/dbraw/zinc/84/40/36/719844036.db2.gz PBFXGPFMADUDFH-BGYRXZFFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296705 719844090 /nfs/dbraw/zinc/84/40/90/719844090.db2.gz XTONESJQWAEZBT-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296705 719844095 /nfs/dbraw/zinc/84/40/95/719844095.db2.gz XTONESJQWAEZBT-RLLQIKCJSA-N 1 3 335.536 2.543 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCF ZINC001028251749 719876806 /nfs/dbraw/zinc/87/68/06/719876806.db2.gz KZHWVOMBCPUENJ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001028251749 719876815 /nfs/dbraw/zinc/87/68/15/719876815.db2.gz KZHWVOMBCPUENJ-SJORKVTESA-N 1 3 327.488 2.581 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001028251748 719877802 /nfs/dbraw/zinc/87/78/02/719877802.db2.gz KZHWVOMBCPUENJ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001028251748 719877796 /nfs/dbraw/zinc/87/77/96/719877796.db2.gz KZHWVOMBCPUENJ-IRXDYDNUSA-N 1 3 327.488 2.581 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)N1CCCC1 ZINC000982428581 720047220 /nfs/dbraw/zinc/04/72/20/720047220.db2.gz JLTDOYRTHTZEFN-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@@H+](CC3CCC3)C[C@]2(C)C1)N1CCCC1 ZINC000982428581 720047225 /nfs/dbraw/zinc/04/72/25/720047225.db2.gz JLTDOYRTHTZEFN-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357048 724650458 /nfs/dbraw/zinc/65/04/58/724650458.db2.gz PQSPCRKZMPKFAU-XLIONFOSSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c1 ZINC000986353736 724649002 /nfs/dbraw/zinc/64/90/02/724649002.db2.gz JHQFZLDLTQSJLF-FXAWDEMLSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN(C)C1CCC1 ZINC000986354557 724649589 /nfs/dbraw/zinc/64/95/89/724649589.db2.gz KGRIRIKZEQNZFV-RDTXWAMCSA-N 1 3 349.906 2.903 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CC(C)(C)C4)[C@H]3C2)CCC1 ZINC001026281649 720120226 /nfs/dbraw/zinc/12/02/26/720120226.db2.gz GZRLFURJNHPEAG-OKZBNKHCSA-N 1 3 347.547 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCC4CCCC4)[C@@H]3C2)CCC1 ZINC001026282537 720128277 /nfs/dbraw/zinc/12/82/77/720128277.db2.gz UIFHTOOHVQQWOH-OTWHNJEPSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357701 724650899 /nfs/dbraw/zinc/65/08/99/724650899.db2.gz UNJOERRGFZPVSV-QFBILLFUSA-N 1 3 329.488 2.558 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCCC4)[C@H]3C2)CCC1 ZINC001026283161 720130424 /nfs/dbraw/zinc/13/04/24/720130424.db2.gz CQQIIMZVNAFZTJ-GBESFXJTSA-N 1 3 345.531 2.798 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986357700 724650942 /nfs/dbraw/zinc/65/09/42/724650942.db2.gz UNJOERRGFZPVSV-LPHOPBHVSA-N 1 3 329.488 2.558 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]Cc3ccsc3)[C@H]2C1)C1CCC1 ZINC001026283914 720135171 /nfs/dbraw/zinc/13/51/71/720135171.db2.gz NARQBGMRTFRVPG-SZMVWBNQSA-N 1 3 347.528 2.559 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]Cc3ccsc3)[C@@H]2C1)C1CCC1 ZINC001026283911 720135376 /nfs/dbraw/zinc/13/53/76/720135376.db2.gz NARQBGMRTFRVPG-CGTJXYLNSA-N 1 3 347.528 2.559 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986351013 724659163 /nfs/dbraw/zinc/65/91/63/724659163.db2.gz BWMHXYOICHWNSZ-QFBILLFUSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cs1 ZINC000986351604 724659731 /nfs/dbraw/zinc/65/97/31/724659731.db2.gz DHBFFSFMJNQXGO-RHSMWYFYSA-N 1 3 335.517 2.620 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCC(F)(F)F ZINC000947774591 720330646 /nfs/dbraw/zinc/33/06/46/720330646.db2.gz BXCFSCWRWAMJPW-HIFRSBDPSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001028316062 720345209 /nfs/dbraw/zinc/34/52/09/720345209.db2.gz JUDZPXITJZPGBB-PMACEKPBSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001028316062 720345212 /nfs/dbraw/zinc/34/52/12/720345212.db2.gz JUDZPXITJZPGBB-PMACEKPBSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029831131 724669872 /nfs/dbraw/zinc/66/98/72/724669872.db2.gz PUXNOOZKQVHPDE-NVXWUHKLSA-N 1 3 337.533 2.615 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001029831131 724669873 /nfs/dbraw/zinc/66/98/73/724669873.db2.gz PUXNOOZKQVHPDE-NVXWUHKLSA-N 1 3 337.533 2.615 20 0 EFADHO Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729859 720356593 /nfs/dbraw/zinc/35/65/93/720356593.db2.gz YPQGRHDNAWWFFU-RTBURBONSA-N 1 3 333.439 2.822 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000897346452 724670881 /nfs/dbraw/zinc/67/08/81/724670881.db2.gz TVGDODQTEXYLEQ-SFHVURJKSA-N 1 3 347.503 2.582 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332904 720373355 /nfs/dbraw/zinc/37/33/55/720373355.db2.gz GJCJDYPHYYWJBT-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028332904 720373357 /nfs/dbraw/zinc/37/33/57/720373357.db2.gz GJCJDYPHYYWJBT-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333707 720378740 /nfs/dbraw/zinc/37/87/40/720378740.db2.gz OLPPAJYMDORQAC-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001028333707 720378746 /nfs/dbraw/zinc/37/87/46/720378746.db2.gz OLPPAJYMDORQAC-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001028334195 720379268 /nfs/dbraw/zinc/37/92/68/720379268.db2.gz WUHAOUZVVHXWIO-TVPLGVNVSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@H]2CNC(=O)c2ccccc2CN(C)C)C1 ZINC001028334195 720379272 /nfs/dbraw/zinc/37/92/72/720379272.db2.gz WUHAOUZVVHXWIO-TVPLGVNVSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CC4)[C@H]3C2)c1 ZINC001026425858 720556089 /nfs/dbraw/zinc/55/60/89/720556089.db2.gz ICTGBBBWPDPWEY-SLFFLAALSA-N 1 3 341.499 2.598 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CC[C@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001026427373 720559066 /nfs/dbraw/zinc/55/90/66/720559066.db2.gz MQXCGAZSAQJNEN-IHPCNDPISA-N 1 3 341.499 2.598 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]12 ZINC001026428088 720559923 /nfs/dbraw/zinc/55/99/23/720559923.db2.gz ZUEAJTKPFWAGCN-CEXWTWQISA-N 1 3 329.488 2.598 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001029839642 724688860 /nfs/dbraw/zinc/68/88/60/724688860.db2.gz FTXRFHUQYHPZPY-MJGOQNOKSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001029839642 724688862 /nfs/dbraw/zinc/68/88/62/724688862.db2.gz FTXRFHUQYHPZPY-MJGOQNOKSA-N 1 3 343.515 2.617 20 0 EFADHO C[NH2+][C@@H](C)Cc1noc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 ZINC000261705836 720574287 /nfs/dbraw/zinc/57/42/87/720574287.db2.gz IKJIHCBLUBXQQG-ZFWWWQNUSA-N 1 3 332.423 2.739 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001029840339 724689757 /nfs/dbraw/zinc/68/97/57/724689757.db2.gz WSIJNJSMZKNEEO-QUCCMNQESA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001029840339 724689759 /nfs/dbraw/zinc/68/97/59/724689759.db2.gz WSIJNJSMZKNEEO-QUCCMNQESA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001029840278 724690755 /nfs/dbraw/zinc/69/07/55/724690755.db2.gz VLPZMRBNUTZNTD-UYAOXDASSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001029840278 724690756 /nfs/dbraw/zinc/69/07/56/724690756.db2.gz VLPZMRBNUTZNTD-UYAOXDASSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)C1 ZINC001029841275 724691998 /nfs/dbraw/zinc/69/19/98/724691998.db2.gz HWZJWWYNGMWGAC-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(F)c2)C1 ZINC001029841275 724692000 /nfs/dbraw/zinc/69/20/00/724692000.db2.gz HWZJWWYNGMWGAC-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842203 724693968 /nfs/dbraw/zinc/69/39/68/724693968.db2.gz PISLGYMXJUTKJN-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842203 724693969 /nfs/dbraw/zinc/69/39/69/724693969.db2.gz PISLGYMXJUTKJN-IBGZPJMESA-N 1 3 343.515 2.699 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001029842414 724696762 /nfs/dbraw/zinc/69/67/62/724696762.db2.gz RCMHOUFERFEWAJ-ADKAHSJRSA-N 1 3 335.536 2.545 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001029842414 724696764 /nfs/dbraw/zinc/69/67/64/724696764.db2.gz RCMHOUFERFEWAJ-ADKAHSJRSA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CCCCC3)CC2)C1 ZINC001026560685 720748226 /nfs/dbraw/zinc/74/82/26/720748226.db2.gz BFTJLFBTUZRTDJ-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CCc2cccs2)CC1 ZINC001026560898 720748477 /nfs/dbraw/zinc/74/84/77/720748477.db2.gz ISYCEUPHDXQRNJ-GTPINHCMSA-N 1 3 349.544 2.792 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCC(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001026560866 720749028 /nfs/dbraw/zinc/74/90/28/720749028.db2.gz HTOJUCYPCUHRHR-PBPGXSGUSA-N 1 3 343.515 2.854 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029843651 724705795 /nfs/dbraw/zinc/70/57/95/724705795.db2.gz MDLIUQFUPDKKSW-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC001029843651 724705796 /nfs/dbraw/zinc/70/57/96/724705796.db2.gz MDLIUQFUPDKKSW-QUCCMNQESA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029844177 724707322 /nfs/dbraw/zinc/70/73/22/724707322.db2.gz XNGAKOBRGICIPA-MOPGFXCFSA-N 1 3 349.494 2.777 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029844177 724707323 /nfs/dbraw/zinc/70/73/23/724707323.db2.gz XNGAKOBRGICIPA-MOPGFXCFSA-N 1 3 349.494 2.777 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC001026598604 720798122 /nfs/dbraw/zinc/79/81/22/720798122.db2.gz PDJHZFQLRXKRON-UHFFFAOYSA-N 1 3 340.471 2.786 20 0 EFADHO CC(C)(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598703 720932210 /nfs/dbraw/zinc/93/22/10/720932210.db2.gz KFXMXMYJZVVQQB-KDURUIRLSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC000982598703 720932213 /nfs/dbraw/zinc/93/22/13/720932213.db2.gz KFXMXMYJZVVQQB-KDURUIRLSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001028537054 720986321 /nfs/dbraw/zinc/98/63/21/720986321.db2.gz GIRVMZVUIGDQMY-WMZOPIPTSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001028537054 720986323 /nfs/dbraw/zinc/98/63/23/720986323.db2.gz GIRVMZVUIGDQMY-WMZOPIPTSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028537116 720986361 /nfs/dbraw/zinc/98/63/61/720986361.db2.gz HJHPYOVZFXAQJH-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028537116 720986364 /nfs/dbraw/zinc/98/63/64/720986364.db2.gz HJHPYOVZFXAQJH-OALUTQOASA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028537533 720987073 /nfs/dbraw/zinc/98/70/73/720987073.db2.gz NABIZRDGRMTPAX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028537533 720987075 /nfs/dbraw/zinc/98/70/75/720987075.db2.gz NABIZRDGRMTPAX-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028537517 720987089 /nfs/dbraw/zinc/98/70/89/720987089.db2.gz MSRNQWXAAMAWEB-WMZOPIPTSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028537517 720987092 /nfs/dbraw/zinc/98/70/92/720987092.db2.gz MSRNQWXAAMAWEB-WMZOPIPTSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028537515 720987143 /nfs/dbraw/zinc/98/71/43/720987143.db2.gz MSRNQWXAAMAWEB-FUHWJXTLSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028537515 720987146 /nfs/dbraw/zinc/98/71/46/720987146.db2.gz MSRNQWXAAMAWEB-FUHWJXTLSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001028537516 720987475 /nfs/dbraw/zinc/98/74/75/720987475.db2.gz MSRNQWXAAMAWEB-SJLPKXTDSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001028537516 720987477 /nfs/dbraw/zinc/98/74/77/720987477.db2.gz MSRNQWXAAMAWEB-SJLPKXTDSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001028537937 720988021 /nfs/dbraw/zinc/98/80/21/720988021.db2.gz VQPIVVLXHLVTNS-AEFFLSMTSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)cs1 ZINC001028537937 720988025 /nfs/dbraw/zinc/98/80/25/720988025.db2.gz VQPIVVLXHLVTNS-AEFFLSMTSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001028548655 720991376 /nfs/dbraw/zinc/99/13/76/720991376.db2.gz DEFJQMFHSPVWBQ-UWWQBHOKSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028548655 720991380 /nfs/dbraw/zinc/99/13/80/720991380.db2.gz DEFJQMFHSPVWBQ-UWWQBHOKSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001028550097 720992342 /nfs/dbraw/zinc/99/23/42/720992342.db2.gz GNSQXAWLNFMFRO-UWWQBHOKSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028550097 720992345 /nfs/dbraw/zinc/99/23/45/720992345.db2.gz GNSQXAWLNFMFRO-UWWQBHOKSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(Cl)c1 ZINC001026735110 721004855 /nfs/dbraw/zinc/00/48/55/721004855.db2.gz YTFLSKUWRDCBMN-CRAIPNDOSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(Cl)c1 ZINC001026735111 721005159 /nfs/dbraw/zinc/00/51/59/721005159.db2.gz YTFLSKUWRDCBMN-MAUKXSAKSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026735052 721005301 /nfs/dbraw/zinc/00/53/01/721005301.db2.gz YJCQDTYGTNTQKK-PXNSSMCTSA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001029947752 724730078 /nfs/dbraw/zinc/73/00/78/724730078.db2.gz VAVVGMLCRPWRBH-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001029947752 724730080 /nfs/dbraw/zinc/73/00/80/724730080.db2.gz VAVVGMLCRPWRBH-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028579096 721091567 /nfs/dbraw/zinc/09/15/67/721091567.db2.gz AEGOBWWNXICNIX-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028579096 721091573 /nfs/dbraw/zinc/09/15/73/721091573.db2.gz AEGOBWWNXICNIX-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC000158699843 721093848 /nfs/dbraw/zinc/09/38/48/721093848.db2.gz WXGHHHZPBBOYQH-GOSISDBHSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001028579763 721101743 /nfs/dbraw/zinc/10/17/43/721101743.db2.gz IJAVZIYOLNQRJF-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001028579763 721101745 /nfs/dbraw/zinc/10/17/45/721101745.db2.gz IJAVZIYOLNQRJF-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001028579810 721101840 /nfs/dbraw/zinc/10/18/40/721101840.db2.gz JGKFNEIWYDPCFT-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001028579810 721101842 /nfs/dbraw/zinc/10/18/42/721101842.db2.gz JGKFNEIWYDPCFT-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001028579928 721102103 /nfs/dbraw/zinc/10/21/03/721102103.db2.gz LTRMQCFIMHEPCM-RTBURBONSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001028579928 721102107 /nfs/dbraw/zinc/10/21/07/721102107.db2.gz LTRMQCFIMHEPCM-RTBURBONSA-N 1 3 333.520 2.799 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028580397 721109872 /nfs/dbraw/zinc/10/98/72/721109872.db2.gz VUVYPIVXRPESJG-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028580397 721109875 /nfs/dbraw/zinc/10/98/75/721109875.db2.gz VUVYPIVXRPESJG-MOPGFXCFSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587808 721180960 /nfs/dbraw/zinc/18/09/60/721180960.db2.gz QELABLSVRZEWIZ-SJLPKXTDSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028587808 721180963 /nfs/dbraw/zinc/18/09/63/721180963.db2.gz QELABLSVRZEWIZ-SJLPKXTDSA-N 1 3 349.544 2.664 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652767 721242872 /nfs/dbraw/zinc/24/28/72/721242872.db2.gz QRNHQRDKVYBOOW-ZWKOTPCHSA-N 1 3 335.536 2.757 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652767 721242877 /nfs/dbraw/zinc/24/28/77/721242877.db2.gz QRNHQRDKVYBOOW-ZWKOTPCHSA-N 1 3 335.536 2.757 20 0 EFADHO CC1(C)CN(CCCF)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000974680618 721276035 /nfs/dbraw/zinc/27/60/35/721276035.db2.gz JJBNJWADHZEJKM-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(CCCF)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000974680618 721276037 /nfs/dbraw/zinc/27/60/37/721276037.db2.gz JJBNJWADHZEJKM-DLBZAZTESA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001026885158 721293639 /nfs/dbraw/zinc/29/36/39/721293639.db2.gz GKTLTDAHHHQMFS-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001026885157 721293903 /nfs/dbraw/zinc/29/39/03/721293903.db2.gz GKTLTDAHHHQMFS-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001026885867 721295089 /nfs/dbraw/zinc/29/50/89/721295089.db2.gz NWSSXSOURHMEMH-IBGZPJMESA-N 1 3 343.515 2.671 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC001026889071 721297223 /nfs/dbraw/zinc/29/72/23/721297223.db2.gz ROCIEXAUBRISLG-GOSISDBHSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888819 721297374 /nfs/dbraw/zinc/29/73/74/721297374.db2.gz OFYSKRMVGVOIQS-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001026889068 721297518 /nfs/dbraw/zinc/29/75/18/721297518.db2.gz RMMBOBNVSZOKKX-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC001026889419 721298145 /nfs/dbraw/zinc/29/81/45/721298145.db2.gz WUOTVFKOVDJUCP-HKUYNNGSSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026889728 721298970 /nfs/dbraw/zinc/29/89/70/721298970.db2.gz CWZMWAJKCVKEBU-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001026890558 721299575 /nfs/dbraw/zinc/29/95/75/721299575.db2.gz KWKHWDFYWKVWPV-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001026890526 721299696 /nfs/dbraw/zinc/29/96/96/721299696.db2.gz JXGLIFXGXDWMLG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001026886161 721305011 /nfs/dbraw/zinc/30/50/11/721305011.db2.gz RTFQWZMXNXVPRB-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001026886274 721305151 /nfs/dbraw/zinc/30/51/51/721305151.db2.gz SYRXUVICPLLQLQ-MRXNPFEDSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)=CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832033 721305293 /nfs/dbraw/zinc/30/52/93/721305293.db2.gz SRIMTBHPVPPSBJ-JYAXBFRTSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982832033 721305295 /nfs/dbraw/zinc/30/52/95/721305295.db2.gz SRIMTBHPVPPSBJ-JYAXBFRTSA-N 1 3 347.547 2.996 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC001026887519 721307172 /nfs/dbraw/zinc/30/71/72/721307172.db2.gz QLEQXLJLRLVSST-CRAIPNDOSA-N 1 3 349.906 2.618 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887745 721307176 /nfs/dbraw/zinc/30/71/76/721307176.db2.gz ULYIPFGPGRGKHJ-FXAWDEMLSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC001026887353 721307204 /nfs/dbraw/zinc/30/72/04/721307204.db2.gz PEOREGWUFUZIDO-MAUKXSAKSA-N 1 3 349.906 2.618 20 0 EFADHO CC[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982833522 721308336 /nfs/dbraw/zinc/30/83/36/721308336.db2.gz MSHDGZUILWTDDE-BGYRXZFFSA-N 1 3 329.488 2.552 20 0 EFADHO CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3CN(C)C)C[C@@]2(C)C1 ZINC000982833522 721308339 /nfs/dbraw/zinc/30/83/39/721308339.db2.gz MSHDGZUILWTDDE-BGYRXZFFSA-N 1 3 329.488 2.552 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001026900831 721311802 /nfs/dbraw/zinc/31/18/02/721311802.db2.gz CZVBRWGCDSWYHV-LPHOPBHVSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1)N(C)C ZINC001026916591 721343339 /nfs/dbraw/zinc/34/33/39/721343339.db2.gz LGPXNALVJCVHNO-AZUAARDMSA-N 1 3 345.531 2.890 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001026916660 721343349 /nfs/dbraw/zinc/34/33/49/721343349.db2.gz LPXSUXNXHYMTTO-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001026916840 721343686 /nfs/dbraw/zinc/34/36/86/721343686.db2.gz QDNROVPZLCQNOW-RTBURBONSA-N 1 3 331.504 2.582 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001026917041 721344014 /nfs/dbraw/zinc/34/40/14/721344014.db2.gz UQPNPKDESKHAFT-VQTJNVASSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001026916953 721344171 /nfs/dbraw/zinc/34/41/71/721344171.db2.gz SUJLKIBGSBBYKP-TZMCWYRMSA-N 1 3 343.924 2.680 20 0 EFADHO O=C(NC[C@H]1CCN(Cc2ccsc2)C1)C12CCC[NH+](CCC1)C2 ZINC001028625658 721346844 /nfs/dbraw/zinc/34/68/44/721346844.db2.gz WHYWXGKCWPTZQA-MRXNPFEDSA-N 1 3 347.528 2.562 20 0 EFADHO CC(C)=CCN1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974729502 721364653 /nfs/dbraw/zinc/36/46/53/721364653.db2.gz MORQYIMVARCGAO-QGZVFWFLSA-N 1 3 333.520 2.655 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985655320 724763816 /nfs/dbraw/zinc/76/38/16/724763816.db2.gz IRTIAISBSQNKCC-HOCLYGCPSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000985655320 724763821 /nfs/dbraw/zinc/76/38/21/724763821.db2.gz IRTIAISBSQNKCC-HOCLYGCPSA-N 1 3 345.478 2.685 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@H+](C)CCC3CCCC3)CC2)C1 ZINC000985655598 724766030 /nfs/dbraw/zinc/76/60/30/724766030.db2.gz UQODUCMUEAACIZ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCC3CCCC3)CC2)C1 ZINC000985655598 724766032 /nfs/dbraw/zinc/76/60/32/724766032.db2.gz UQODUCMUEAACIZ-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@H+](C)CCc2ccccc2F)CC1)N(C)C ZINC000985656244 724766795 /nfs/dbraw/zinc/76/67/95/724766795.db2.gz MKMLKHNKJZBNTL-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO CC[C@@H](C(=O)N1CCC([N@@H+](C)CCc2ccccc2F)CC1)N(C)C ZINC000985656244 724766797 /nfs/dbraw/zinc/76/67/97/724766797.db2.gz MKMLKHNKJZBNTL-IBGZPJMESA-N 1 3 349.494 2.631 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC000985656238 724766919 /nfs/dbraw/zinc/76/69/19/724766919.db2.gz WQIILLCWMMQCMK-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)C1 ZINC000985656238 724766922 /nfs/dbraw/zinc/76/69/22/724766922.db2.gz WQIILLCWMMQCMK-INIZCTEOSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001029853004 724772158 /nfs/dbraw/zinc/77/21/58/724772158.db2.gz KKTRYSPNBVEVEX-OAHLLOKOSA-N 1 3 346.500 2.611 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001029853004 724772160 /nfs/dbraw/zinc/77/21/60/724772160.db2.gz KKTRYSPNBVEVEX-OAHLLOKOSA-N 1 3 346.500 2.611 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC2(CC2)CC1 ZINC001029852541 724772718 /nfs/dbraw/zinc/77/27/18/724772718.db2.gz CZZVQLWXTRCRIM-QGZVFWFLSA-N 1 3 344.503 2.703 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)CC1CCC2(CC2)CC1 ZINC001029852541 724772721 /nfs/dbraw/zinc/77/27/21/724772721.db2.gz CZZVQLWXTRCRIM-QGZVFWFLSA-N 1 3 344.503 2.703 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001029852289 724772836 /nfs/dbraw/zinc/77/28/36/724772836.db2.gz BWLFFOLWROFFIK-OFLPRAFFSA-N 1 3 332.492 2.559 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001029852289 724772839 /nfs/dbraw/zinc/77/28/39/724772839.db2.gz BWLFFOLWROFFIK-OFLPRAFFSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852583 724773190 /nfs/dbraw/zinc/77/31/90/724773190.db2.gz FIYHLKLXZIOIHC-SJORKVTESA-N 1 3 340.471 2.802 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001029852583 724773192 /nfs/dbraw/zinc/77/31/92/724773192.db2.gz FIYHLKLXZIOIHC-SJORKVTESA-N 1 3 340.471 2.802 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853133 724775023 /nfs/dbraw/zinc/77/50/23/724775023.db2.gz MIQVRBPLEPYCGI-GJZGRUSLSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853133 724775027 /nfs/dbraw/zinc/77/50/27/724775027.db2.gz MIQVRBPLEPYCGI-GJZGRUSLSA-N 1 3 344.434 2.633 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674380 724785021 /nfs/dbraw/zinc/78/50/21/724785021.db2.gz BDWNNCMLZWOUOS-UHFFFAOYSA-N 1 3 344.434 2.545 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674380 724785024 /nfs/dbraw/zinc/78/50/24/724785024.db2.gz BDWNNCMLZWOUOS-UHFFFAOYSA-N 1 3 344.434 2.545 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675080 724787210 /nfs/dbraw/zinc/78/72/10/724787210.db2.gz MGQMOTNPUXEWMU-CQSZACIVSA-N 1 3 344.434 2.775 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675080 724787212 /nfs/dbraw/zinc/78/72/12/724787212.db2.gz MGQMOTNPUXEWMU-CQSZACIVSA-N 1 3 344.434 2.775 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)c1 ZINC000985675138 724787263 /nfs/dbraw/zinc/78/72/63/724787263.db2.gz OLNPBZPMWCXAEX-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)c1 ZINC000985675138 724787264 /nfs/dbraw/zinc/78/72/64/724787264.db2.gz OLNPBZPMWCXAEX-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO c1cc(N2CCN(C3CCCC3)CC2)ncc1OCC1CC[NH2+]CC1 ZINC001165033284 721861959 /nfs/dbraw/zinc/86/19/59/721861959.db2.gz JBHOJDDUPRZPPS-UHFFFAOYSA-N 1 3 344.503 2.525 20 0 EFADHO CC[C@@H](F)CN1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710391 721878247 /nfs/dbraw/zinc/87/82/47/721878247.db2.gz MCFXEXRGVVZCEA-SJLPKXTDSA-N 1 3 349.494 2.591 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754745 721937098 /nfs/dbraw/zinc/93/70/98/721937098.db2.gz KVHFUQUWYDGIRL-SJLPKXTDSA-N 1 3 349.544 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCN(Cc3ccsc3)C2)C1 ZINC001028754745 721937100 /nfs/dbraw/zinc/93/71/00/721937100.db2.gz KVHFUQUWYDGIRL-SJLPKXTDSA-N 1 3 349.544 2.808 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001028779015 721981761 /nfs/dbraw/zinc/98/17/61/721981761.db2.gz RRKKEKVKOMYZPS-HNNXBMFYSA-N 1 3 349.906 2.620 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001028846235 722044936 /nfs/dbraw/zinc/04/49/36/722044936.db2.gz ZWLSVRURBCACJP-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001028846235 722044939 /nfs/dbraw/zinc/04/49/39/722044939.db2.gz ZWLSVRURBCACJP-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)cn1 ZINC000924998750 722052369 /nfs/dbraw/zinc/05/23/69/722052369.db2.gz KUEVXDLKZPKASR-AYHJJNSGSA-N 1 3 333.476 2.602 20 0 EFADHO C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003585 722061335 /nfs/dbraw/zinc/06/13/35/722061335.db2.gz WSBFBZNADGOKFA-RHSMWYFYSA-N 1 3 349.906 2.633 20 0 EFADHO C[C@@H](NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Cl)CC1 ZINC000925003585 722061337 /nfs/dbraw/zinc/06/13/37/722061337.db2.gz WSBFBZNADGOKFA-RHSMWYFYSA-N 1 3 349.906 2.633 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028918389 722095685 /nfs/dbraw/zinc/09/56/85/722095685.db2.gz GVFFVKCVTDKEOW-QOCAVEGASA-N 1 3 341.927 2.832 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001028918389 722095686 /nfs/dbraw/zinc/09/56/86/722095686.db2.gz GVFFVKCVTDKEOW-QOCAVEGASA-N 1 3 341.927 2.832 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000894331857 722107605 /nfs/dbraw/zinc/10/76/05/722107605.db2.gz JOZGXIXTKHTNDF-UXHICEINSA-N 1 3 325.456 2.702 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985238 722598903 /nfs/dbraw/zinc/59/89/03/722598903.db2.gz JNIVPYAQYQYDDC-WBVHZDCISA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985238 722598905 /nfs/dbraw/zinc/59/89/05/722598905.db2.gz JNIVPYAQYQYDDC-WBVHZDCISA-N 1 3 349.906 2.538 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000951 722617639 /nfs/dbraw/zinc/61/76/39/722617639.db2.gz MNMOQCGYQXKSJP-HZPDHXFCSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001029000951 722617641 /nfs/dbraw/zinc/61/76/41/722617641.db2.gz MNMOQCGYQXKSJP-HZPDHXFCSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000474 722617647 /nfs/dbraw/zinc/61/76/47/722617647.db2.gz FNEXKLBZLKAUSP-AEFFLSMTSA-N 1 3 331.504 2.846 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001029000474 722617649 /nfs/dbraw/zinc/61/76/49/722617649.db2.gz FNEXKLBZLKAUSP-AEFFLSMTSA-N 1 3 331.504 2.846 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001029000472 722617710 /nfs/dbraw/zinc/61/77/10/722617710.db2.gz FIUNFNLFNUIQCZ-ADKAHSJRSA-N 1 3 343.515 2.846 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](CNC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001029000472 722617711 /nfs/dbraw/zinc/61/77/11/722617711.db2.gz FIUNFNLFNUIQCZ-ADKAHSJRSA-N 1 3 343.515 2.846 20 0 EFADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001240 722618423 /nfs/dbraw/zinc/61/84/23/722618423.db2.gz SMZXEIUYLYIUAG-RDJZCZTQSA-N 1 3 335.467 2.548 20 0 EFADHO C[NH2+]CCC1CCN([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000261965154 722638572 /nfs/dbraw/zinc/63/85/72/722638572.db2.gz AVFJHNYJNHISIK-LJQANCHMSA-N 1 3 329.488 2.812 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065183 722724949 /nfs/dbraw/zinc/72/49/49/722724949.db2.gz DHOAGDMYFKGIBR-BEFAXECRSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1F)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066361 722726517 /nfs/dbraw/zinc/72/65/17/722726517.db2.gz SEUVUMQVMXEVFI-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000894750438 722835854 /nfs/dbraw/zinc/83/58/54/722835854.db2.gz HXMMDAOHOVXGAU-LNLFQRSKSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000894750438 722835856 /nfs/dbraw/zinc/83/58/56/722835856.db2.gz HXMMDAOHOVXGAU-LNLFQRSKSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CCCN(C)C1)[NH+](C)C ZINC000894753140 722836491 /nfs/dbraw/zinc/83/64/91/722836491.db2.gz HNHNHBKLOYXCMN-SCTDSRPQSA-N 1 3 346.519 2.722 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000983662110 722846962 /nfs/dbraw/zinc/84/69/62/722846962.db2.gz QJTGIENXIVSMHJ-FHWLQOOXSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782860 722846983 /nfs/dbraw/zinc/84/69/83/722846983.db2.gz NYCVPDJJBMZLID-MGPQQGTHSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894782860 722846985 /nfs/dbraw/zinc/84/69/85/722846985.db2.gz NYCVPDJJBMZLID-MGPQQGTHSA-N 1 3 349.466 2.807 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029106750 722877576 /nfs/dbraw/zinc/87/75/76/722877576.db2.gz CGQJPBLJIQLTTK-BEFAXECRSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001029112145 722885468 /nfs/dbraw/zinc/88/54/68/722885468.db2.gz WGOOYALQHRQBLN-RHSMWYFYSA-N 1 3 337.533 2.805 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001029145495 722924446 /nfs/dbraw/zinc/92/44/46/722924446.db2.gz WGOOYALQHRQBLN-PBHICJAKSA-N 1 3 337.533 2.805 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001029147074 722925192 /nfs/dbraw/zinc/92/51/92/722925192.db2.gz MXKCFSKIZAVERW-JKSUJKDBSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001029146973 722925210 /nfs/dbraw/zinc/92/52/10/722925210.db2.gz LTAQOBISRAUJQO-MSOLQXFVSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029173205 722940939 /nfs/dbraw/zinc/94/09/39/722940939.db2.gz LHJINLKUCFCXTL-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029172939 722941166 /nfs/dbraw/zinc/94/11/66/722941166.db2.gz HOCYTSAGVZWPDU-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cnc(F)cc3C)CC2)CC1 ZINC000894979509 723042685 /nfs/dbraw/zinc/04/26/85/723042685.db2.gz VBYPQVQAIZHGFH-UHFFFAOYSA-N 1 3 334.483 2.521 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000896494734 723325535 /nfs/dbraw/zinc/32/55/35/723325535.db2.gz CMUJNGOMFWRSJW-QXAKKESOSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000896494734 723325537 /nfs/dbraw/zinc/32/55/37/723325537.db2.gz CMUJNGOMFWRSJW-QXAKKESOSA-N 1 3 329.488 2.592 20 0 EFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001029311254 723334291 /nfs/dbraw/zinc/33/42/91/723334291.db2.gz HEYLAAJENZRHCT-ZCNNSNEGSA-N 1 3 343.515 2.504 20 0 EFADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1cc2ccccc2s1 ZINC000262141245 723381967 /nfs/dbraw/zinc/38/19/67/723381967.db2.gz ZEJCSQLXJIFDOO-OAHLLOKOSA-N 1 3 331.485 2.721 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1)C1CC1 ZINC001029337877 723388199 /nfs/dbraw/zinc/38/81/99/723388199.db2.gz NMYDRVNZCSOUGV-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCCC1)C1CC1 ZINC001029337877 723388200 /nfs/dbraw/zinc/38/82/00/723388200.db2.gz NMYDRVNZCSOUGV-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cc1 ZINC000939209519 728817139 /nfs/dbraw/zinc/81/71/39/728817139.db2.gz GYZIQZUCARQJSG-BEFAXECRSA-N 1 3 340.471 2.541 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC000939210225 728817895 /nfs/dbraw/zinc/81/78/95/728817895.db2.gz MHSRMMFJNJGQET-KXBFYZLASA-N 1 3 340.471 2.712 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)N(C)C ZINC001029347402 723404503 /nfs/dbraw/zinc/40/45/03/723404503.db2.gz UFTPXMMQOCHNRJ-KSZLIROESA-N 1 3 335.536 2.684 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1)N(C)C ZINC001029347402 723404504 /nfs/dbraw/zinc/40/45/04/723404504.db2.gz UFTPXMMQOCHNRJ-KSZLIROESA-N 1 3 335.536 2.684 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896607937 723404758 /nfs/dbraw/zinc/40/47/58/723404758.db2.gz JLRUDMYBZSPCCB-SFANZJOMSA-N 1 3 348.535 2.662 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000939211678 728818877 /nfs/dbraw/zinc/81/88/77/728818877.db2.gz URXVUSFAAOCQLK-WMLDXEAASA-N 1 3 332.492 2.605 20 0 EFADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001029378232 723484344 /nfs/dbraw/zinc/48/43/44/723484344.db2.gz AGNGTJWJOSXHJM-KDURUIRLSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC000984800115 723494470 /nfs/dbraw/zinc/49/44/70/723494470.db2.gz NPSHFHSXRAYDAP-MBOZVWFJSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC000984799829 723494522 /nfs/dbraw/zinc/49/45/22/723494522.db2.gz KZEBNFJNIKLHGN-WDSOQIARSA-N 1 3 347.547 2.926 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC000984800116 723494528 /nfs/dbraw/zinc/49/45/28/723494528.db2.gz NPSHFHSXRAYDAP-ZWOKBUDYSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1)c1cccc(F)c1 ZINC000984800085 723494544 /nfs/dbraw/zinc/49/45/44/723494544.db2.gz MUZRPBINJYAKST-FPXQBCRKSA-N 1 3 347.478 2.855 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000984804149 723495931 /nfs/dbraw/zinc/49/59/31/723495931.db2.gz LXBFANLCEXILQQ-NSISKUIASA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC000984804219 723496038 /nfs/dbraw/zinc/49/60/38/723496038.db2.gz NHZRACXOFSCLFK-WDSOQIARSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1F ZINC000984805024 723496478 /nfs/dbraw/zinc/49/64/78/723496478.db2.gz RBJDVLMIQHHDKI-QBPKDAKJSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000984806065 723496606 /nfs/dbraw/zinc/49/66/06/723496606.db2.gz WVVYMUJXBSUTLL-YSSFQJQWSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(F)c1 ZINC000984806400 723496793 /nfs/dbraw/zinc/49/67/93/723496793.db2.gz XLIABUBQEUIOOO-YKTARERQSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CCCF ZINC000948066700 728836500 /nfs/dbraw/zinc/83/65/00/728836500.db2.gz QNBBCVAREQOIFP-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CCCF ZINC000948066700 728836501 /nfs/dbraw/zinc/83/65/01/728836501.db2.gz QNBBCVAREQOIFP-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)c(C)s1 ZINC000985076940 723817003 /nfs/dbraw/zinc/81/70/03/723817003.db2.gz SVMCQGWLZOHDLW-KOMQPUFPSA-N 1 3 346.500 2.624 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000985073905 723817627 /nfs/dbraw/zinc/81/76/27/723817627.db2.gz NNUOJIAVQRCNPU-JDFRZJQESA-N 1 3 344.434 2.645 20 0 EFADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001029555023 723884652 /nfs/dbraw/zinc/88/46/52/723884652.db2.gz ZNAJAMBZOBUMSR-KDURUIRLSA-N 1 3 345.531 2.728 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000985151552 723887941 /nfs/dbraw/zinc/88/79/41/723887941.db2.gz YYYGOWCRYLYJRU-SZMVWBNQSA-N 1 3 335.536 2.781 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000985154626 723893408 /nfs/dbraw/zinc/89/34/08/723893408.db2.gz JXCLJGVHNOEGFC-GUDVDZBRSA-N 1 3 329.488 2.545 20 0 EFADHO CCOC(=O)[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000896963210 723917195 /nfs/dbraw/zinc/91/71/95/723917195.db2.gz WLGCQBKTNSPNTK-GOSISDBHSA-N 1 3 346.471 2.546 20 0 EFADHO Cc1nn(C)cc1[C@@H]1OCC[C@H]1[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895243804 723930983 /nfs/dbraw/zinc/93/09/83/723930983.db2.gz YFNVWWOTFGURSS-MOPGFXCFSA-N 1 3 334.508 2.659 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC000985327360 724128503 /nfs/dbraw/zinc/12/85/03/724128503.db2.gz FPYOQHHXMNTYDX-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CCC2CCCCC2)CC1 ZINC000985327360 724128504 /nfs/dbraw/zinc/12/85/04/724128504.db2.gz FPYOQHHXMNTYDX-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327124 724128533 /nfs/dbraw/zinc/12/85/33/724128533.db2.gz CROIKVBKXXBWMQ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000985327124 724128534 /nfs/dbraw/zinc/12/85/34/724128534.db2.gz CROIKVBKXXBWMQ-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327802 724128997 /nfs/dbraw/zinc/12/89/97/724128997.db2.gz MFXJGNQYMDMLFF-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327802 724128998 /nfs/dbraw/zinc/12/89/98/724128998.db2.gz MFXJGNQYMDMLFF-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000985327763 724129017 /nfs/dbraw/zinc/12/90/17/724129017.db2.gz KUSYARWHBAQGSI-IBGZPJMESA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(CF)cc2)CC1 ZINC000985327763 724129018 /nfs/dbraw/zinc/12/90/18/724129018.db2.gz KUSYARWHBAQGSI-IBGZPJMESA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000985328097 724129541 /nfs/dbraw/zinc/12/95/41/724129541.db2.gz POOSJCCQZHBNOV-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000985328097 724129543 /nfs/dbraw/zinc/12/95/43/724129543.db2.gz POOSJCCQZHBNOV-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000985332129 724133015 /nfs/dbraw/zinc/13/30/15/724133015.db2.gz AOVRUKMSJODHPS-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000985332129 724133017 /nfs/dbraw/zinc/13/30/17/724133017.db2.gz AOVRUKMSJODHPS-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333534 724135276 /nfs/dbraw/zinc/13/52/76/724135276.db2.gz HDXVRLHKGDQPOV-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985333534 724135278 /nfs/dbraw/zinc/13/52/78/724135278.db2.gz HDXVRLHKGDQPOV-LJQANCHMSA-N 1 3 347.478 2.651 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 ZINC000895507390 724166196 /nfs/dbraw/zinc/16/61/96/724166196.db2.gz GGKRPOBTXWMEAE-SFHVURJKSA-N 1 3 343.471 2.579 20 0 EFADHO COc1ccc(C2=NO[C@@H](C[NH2+]C3CCN(C(C)C)CC3)C2)cc1 ZINC000895497233 724168869 /nfs/dbraw/zinc/16/88/69/724168869.db2.gz ZAVSCAQPLJETBT-GOSISDBHSA-N 1 3 331.460 2.651 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029595218 724200724 /nfs/dbraw/zinc/20/07/24/724200724.db2.gz DGRWDTIHDXDREW-AMBYYYRHSA-N 1 3 347.547 2.971 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029595218 724200725 /nfs/dbraw/zinc/20/07/25/724200725.db2.gz DGRWDTIHDXDREW-AMBYYYRHSA-N 1 3 347.547 2.971 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)CC1 ZINC001029453339 724277737 /nfs/dbraw/zinc/27/77/37/724277737.db2.gz RXYCWZHVWRFSTK-BGYRXZFFSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001029675652 724368708 /nfs/dbraw/zinc/36/87/08/724368708.db2.gz SDEACRNDUGQHAW-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC001029675652 724368714 /nfs/dbraw/zinc/36/87/14/724368714.db2.gz SDEACRNDUGQHAW-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001029675653 724369166 /nfs/dbraw/zinc/36/91/66/724369166.db2.gz SDEACRNDUGQHAW-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001029675653 724369170 /nfs/dbraw/zinc/36/91/70/724369170.db2.gz SDEACRNDUGQHAW-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985792527 724887889 /nfs/dbraw/zinc/88/78/89/724887889.db2.gz MUGQJZKIAIFOEW-UHFFFAOYSA-N 1 3 343.515 2.556 20 0 EFADHO Cc1ccc(CC[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000985792527 724887891 /nfs/dbraw/zinc/88/78/91/724887891.db2.gz MUGQJZKIAIFOEW-UHFFFAOYSA-N 1 3 343.515 2.556 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942566 724963566 /nfs/dbraw/zinc/96/35/66/724963566.db2.gz UPXGTZKFDOPHEO-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)Cc3ccsc3)C2)CC1 ZINC001029875142 724972351 /nfs/dbraw/zinc/97/23/51/724972351.db2.gz DNKXDFIPFNESLY-KRWDZBQOSA-N 1 3 349.544 2.760 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)CC1 ZINC001029875142 724972354 /nfs/dbraw/zinc/97/23/54/724972354.db2.gz DNKXDFIPFNESLY-KRWDZBQOSA-N 1 3 349.544 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3=CCCCC3)CC2)C1 ZINC001029995454 724982283 /nfs/dbraw/zinc/98/22/83/724982283.db2.gz KQPHHXVJYSUVBW-SFHVURJKSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC001029995454 724982285 /nfs/dbraw/zinc/98/22/85/724982285.db2.gz KQPHHXVJYSUVBW-SFHVURJKSA-N 1 3 347.547 2.999 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC001029996721 724985906 /nfs/dbraw/zinc/98/59/06/724985906.db2.gz JRDJZPOPKQURHY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2F)CC1)N(C)C ZINC001029996721 724985908 /nfs/dbraw/zinc/98/59/08/724985908.db2.gz JRDJZPOPKQURHY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@H]2C)cc1 ZINC000986963241 724992093 /nfs/dbraw/zinc/99/20/93/724992093.db2.gz YAGBLEKAAUOWMU-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[N@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC001030013234 725434191 /nfs/dbraw/zinc/43/41/91/725434191.db2.gz BVSNDHPVLWDJEI-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC001030013234 725434192 /nfs/dbraw/zinc/43/41/92/725434192.db2.gz BVSNDHPVLWDJEI-UHFFFAOYSA-N 1 3 349.544 2.823 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008354 725459221 /nfs/dbraw/zinc/45/92/21/725459221.db2.gz BYUAVMKMJSYEMW-DYXWJJEUSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)[C@H](C1CC1)N1CCCC1 ZINC000992008354 725459224 /nfs/dbraw/zinc/45/92/24/725459224.db2.gz BYUAVMKMJSYEMW-DYXWJJEUSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008774 725459799 /nfs/dbraw/zinc/45/97/99/725459799.db2.gz DFIOTAPOHBDWMI-ZVDOUQERSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@@H]1[N@@H+](CC1CCC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008774 725459803 /nfs/dbraw/zinc/45/98/03/725459803.db2.gz DFIOTAPOHBDWMI-ZVDOUQERSA-N 1 3 345.531 2.774 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2cccc3ccccc32)CCN1C(=O)Cc1c[nH]cn1 ZINC000987064483 725474621 /nfs/dbraw/zinc/47/46/21/725474621.db2.gz GAOOWNXTPLDIQQ-FOIQADDNSA-N 1 3 348.450 2.885 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066653 725477601 /nfs/dbraw/zinc/47/76/01/725477601.db2.gz KXLNTCYANDISDZ-KUHUBIRLSA-N 1 3 338.455 2.609 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)c1 ZINC000987251444 725612141 /nfs/dbraw/zinc/61/21/41/725612141.db2.gz BWXMTNKVCMUZBR-ICSRJNTNSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@@H]1C ZINC000987251221 725612149 /nfs/dbraw/zinc/61/21/49/725612149.db2.gz ARJHNIQHXOIXPG-UYAOXDASSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)cs1 ZINC000987252614 725612762 /nfs/dbraw/zinc/61/27/62/725612762.db2.gz FUCUQSICYMSSNO-WMZOPIPTSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2cccs2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987252777 725612810 /nfs/dbraw/zinc/61/28/10/725612810.db2.gz GVIPLSSTBNROTP-SJLPKXTDSA-N 1 3 349.544 2.602 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256960 725615295 /nfs/dbraw/zinc/61/52/95/725615295.db2.gz UURGQOJSRNNCKG-MJGOQNOKSA-N 1 3 347.547 2.878 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001040725500 725711921 /nfs/dbraw/zinc/71/19/21/725711921.db2.gz ARVGYSORTHEKOK-WMZOPIPTSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CN1CCCC1 ZINC000987515510 725732153 /nfs/dbraw/zinc/73/21/53/725732153.db2.gz BJKLYSWJZNZNND-OCCSQVGLSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)s2)CCN1C(=O)CN1CCCC1 ZINC000987515511 725732037 /nfs/dbraw/zinc/73/20/37/725732037.db2.gz BJKLYSWJZNZNND-TZMCWYRMSA-N 1 3 341.908 2.576 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987527914 725735904 /nfs/dbraw/zinc/73/59/04/725735904.db2.gz XSVXVYBOMYORNN-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(Cl)c1 ZINC000987522080 725738573 /nfs/dbraw/zinc/73/85/73/725738573.db2.gz FFAIHLULCAAELN-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1 ZINC000987524005 725739216 /nfs/dbraw/zinc/73/92/16/725739216.db2.gz KXNHGNJWHXBSHQ-YLJYHZDGSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CN1CCCC1 ZINC000987533773 725741443 /nfs/dbraw/zinc/74/14/43/725741443.db2.gz TXFYEUKWEHWOPF-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987534205 725741681 /nfs/dbraw/zinc/74/16/81/725741681.db2.gz VUINDRLUOFAXEJ-MAUKXSAKSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)C4)CCC[C@H]23)cs1 ZINC000992488955 725887535 /nfs/dbraw/zinc/88/75/35/725887535.db2.gz DMOJYARNHPDRSE-ZIFCJYIRSA-N 1 3 347.528 2.621 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@@H]4CC[N@H+](C)C4)CCC[C@H]23)cs1 ZINC000992488955 725887538 /nfs/dbraw/zinc/88/75/38/725887538.db2.gz DMOJYARNHPDRSE-ZIFCJYIRSA-N 1 3 347.528 2.621 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC2CC2)CC3)c1 ZINC000992510263 725913519 /nfs/dbraw/zinc/91/35/19/725913519.db2.gz PHUPYHFVWLVOLP-PZJWPPBQSA-N 1 3 341.499 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC2CC2)CC3)c1 ZINC000992510263 725913521 /nfs/dbraw/zinc/91/35/21/725913521.db2.gz PHUPYHFVWLVOLP-PZJWPPBQSA-N 1 3 341.499 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@H]2[N@H+](CC2CC2)CC3)c1 ZINC000992510259 725913561 /nfs/dbraw/zinc/91/35/61/725913561.db2.gz PHUPYHFVWLVOLP-CTNGQTDRSA-N 1 3 341.499 2.885 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC2CC2)CC3)c1 ZINC000992510259 725913563 /nfs/dbraw/zinc/91/35/63/725913563.db2.gz PHUPYHFVWLVOLP-CTNGQTDRSA-N 1 3 341.499 2.885 20 0 EFADHO CC(C)[N@@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992515675 725918914 /nfs/dbraw/zinc/91/89/14/725918914.db2.gz ZOJWZVQLGWIYGO-ICSRJNTNSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[N@H+]1CC[C@@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992515675 725918918 /nfs/dbraw/zinc/91/89/18/725918918.db2.gz ZOJWZVQLGWIYGO-ICSRJNTNSA-N 1 3 329.488 2.883 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC000992689682 726116320 /nfs/dbraw/zinc/11/63/20/726116320.db2.gz LIGVINFCRVKAGZ-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCC3)[C@@H]2C1)C1CCC1 ZINC000992708623 726127046 /nfs/dbraw/zinc/12/70/46/726127046.db2.gz IAMUHUZQKGGBDF-SXLOBPIMSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCCC4)[C@@H]3C2)CCC1 ZINC000992719540 726130139 /nfs/dbraw/zinc/13/01/39/726130139.db2.gz KJZQVBKEYMZSNI-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCCC4)[C@H]3C2)CCC1 ZINC000992719530 726130151 /nfs/dbraw/zinc/13/01/51/726130151.db2.gz KJZQVBKEYMZSNI-FHWLQOOXSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000925276935 726239784 /nfs/dbraw/zinc/23/97/84/726239784.db2.gz RHWZBWBWUARKPA-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC4CCC4)[C@H]3C2)C1 ZINC000992821579 726265681 /nfs/dbraw/zinc/26/56/81/726265681.db2.gz VWIHTSJSEBMVHU-GBESFXJTSA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCC4CC4)[C@H]3C2)CC1 ZINC000992864468 726302704 /nfs/dbraw/zinc/30/27/04/726302704.db2.gz SFCJZFQBZFDGJW-SLFFLAALSA-N 1 3 347.547 2.735 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)CCCC[NH+]2CCCC2)N(C)C)cc1 ZINC000729346326 726318577 /nfs/dbraw/zinc/31/85/77/726318577.db2.gz PPSTWGSXWBTWOQ-LJQANCHMSA-N 1 3 331.504 2.980 20 0 EFADHO CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000907212728 726898205 /nfs/dbraw/zinc/89/82/05/726898205.db2.gz UPQAZHSBWDLLQW-UHFFFAOYSA-N 1 3 344.503 2.679 20 0 EFADHO C[C@@H]1CCC(C)(C)N1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915493459 727080123 /nfs/dbraw/zinc/08/01/23/727080123.db2.gz UPLZQEGDRADAOM-OAHLLOKOSA-N 1 3 336.524 2.518 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091586 727090534 /nfs/dbraw/zinc/09/05/34/727090534.db2.gz JTHLWHIBZKDTSR-PKOBYXMFSA-N 1 3 347.503 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091586 727090539 /nfs/dbraw/zinc/09/05/39/727090539.db2.gz JTHLWHIBZKDTSR-PKOBYXMFSA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166338394 727121158 /nfs/dbraw/zinc/12/11/58/727121158.db2.gz JQTMCSJQIPKYGQ-BRWVUGGUSA-N 1 3 337.508 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166338394 727121160 /nfs/dbraw/zinc/12/11/60/727121160.db2.gz JQTMCSJQIPKYGQ-BRWVUGGUSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000908503595 727204699 /nfs/dbraw/zinc/20/46/99/727204699.db2.gz MDYOOYFJARUFFG-HNNXBMFYSA-N 1 3 340.471 2.847 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccc(NC3=NCCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000908503595 727204701 /nfs/dbraw/zinc/20/47/01/727204701.db2.gz MDYOOYFJARUFFG-HNNXBMFYSA-N 1 3 340.471 2.847 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCCC1 ZINC000993529494 727298430 /nfs/dbraw/zinc/29/84/30/727298430.db2.gz OEIYUDOJWFCGOF-WMZOPIPTSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]1[C@@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCCC1 ZINC000993529494 727298431 /nfs/dbraw/zinc/29/84/31/727298431.db2.gz OEIYUDOJWFCGOF-WMZOPIPTSA-N 1 3 333.520 2.774 20 0 EFADHO CC[N@@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](C)C1 ZINC000910280658 727426925 /nfs/dbraw/zinc/42/69/25/727426925.db2.gz DUGZCWMDRPOIDG-INIZCTEOSA-N 1 3 338.455 2.803 20 0 EFADHO CC[N@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@@H](C)C1 ZINC000910280658 727426926 /nfs/dbraw/zinc/42/69/26/727426926.db2.gz DUGZCWMDRPOIDG-INIZCTEOSA-N 1 3 338.455 2.803 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)cc1 ZINC000993765971 727517546 /nfs/dbraw/zinc/51/75/46/727517546.db2.gz WPWXJNSPESVTOA-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000993928438 727554734 /nfs/dbraw/zinc/55/47/34/727554734.db2.gz NGQQNGAKZCGTCD-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cccc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c1 ZINC000994249540 727667305 /nfs/dbraw/zinc/66/73/05/727667305.db2.gz HAXAAWDVPFAGRH-MJGOQNOKSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CC1CC1 ZINC000994487000 727769301 /nfs/dbraw/zinc/76/93/01/727769301.db2.gz NYNSVGFUBXGFDO-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CC1CC1 ZINC000994487000 727769302 /nfs/dbraw/zinc/76/93/02/727769302.db2.gz NYNSVGFUBXGFDO-HNAYVOBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)C1(Br)CC1 ZINC000925437369 727795517 /nfs/dbraw/zinc/79/55/17/727795517.db2.gz MFTVHUAPYLNNEL-HZSPNIEDSA-N 1 3 333.314 2.781 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2CCCO)C[C@@H](C)O1 ZINC000925438952 727811366 /nfs/dbraw/zinc/81/13/66/727811366.db2.gz GIXJWQSRAWAGNO-AKHDSKFASA-N 1 3 326.525 2.797 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000183283118 728023585 /nfs/dbraw/zinc/02/35/85/728023585.db2.gz LSXWWNGBHOWGBL-UHFFFAOYSA-N 1 3 339.439 2.872 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)NCC2(C)OCCO2)ccc1OC ZINC000183422152 728069760 /nfs/dbraw/zinc/06/97/60/728069760.db2.gz WLWLOUZPAFQLHI-OAHLLOKOSA-N 1 3 336.476 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000995185514 728204720 /nfs/dbraw/zinc/20/47/20/728204720.db2.gz OJNRWLUBNBOABC-ROUUACIJSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000995186890 728222498 /nfs/dbraw/zinc/22/24/98/728222498.db2.gz QJWMTCVQRLXYHS-ZBFHGGJFSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC000995186888 728222519 /nfs/dbraw/zinc/22/25/19/728222519.db2.gz QJWMTCVQRLXYHS-GOEBONIOSA-N 1 3 332.492 2.571 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921639 728372196 /nfs/dbraw/zinc/37/21/96/728372196.db2.gz XKUSDFGSDMVBFX-LNLFQRSKSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001031921639 728372197 /nfs/dbraw/zinc/37/21/97/728372197.db2.gz XKUSDFGSDMVBFX-LNLFQRSKSA-N 1 3 343.515 2.834 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC000995233758 728422097 /nfs/dbraw/zinc/42/20/97/728422097.db2.gz QESPYWAPODHJAY-SJLPKXTDSA-N 1 3 329.488 2.646 20 0 EFADHO CC(C)[C@@H](CNC1CC(NC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000229838170 728538708 /nfs/dbraw/zinc/53/87/08/728538708.db2.gz GRZHJKWBVBFXJQ-UYSNPLJNSA-N 1 3 325.497 2.752 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000063149095 728614048 /nfs/dbraw/zinc/61/40/48/728614048.db2.gz HHVCIJZBHZHABN-UHFFFAOYSA-N 1 3 334.533 2.909 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=S)NC1CCN(C)CC1)c1ccccc1 ZINC000920308198 729169868 /nfs/dbraw/zinc/16/98/68/729169868.db2.gz WHRMCUTUJQXKIP-SFHVURJKSA-N 1 3 348.560 2.628 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc1C ZINC001031665674 729199315 /nfs/dbraw/zinc/19/93/15/729199315.db2.gz DEYHQZGBERXQQT-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1C ZINC001031665674 729199320 /nfs/dbraw/zinc/19/93/20/729199320.db2.gz DEYHQZGBERXQQT-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031666848 729204283 /nfs/dbraw/zinc/20/42/83/729204283.db2.gz SGQWRBQHMVXLPY-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1CN(CCCc2ccsc2)C1 ZINC001031666848 729204286 /nfs/dbraw/zinc/20/42/86/729204286.db2.gz SGQWRBQHMVXLPY-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031729256 729560526 /nfs/dbraw/zinc/56/05/26/729560526.db2.gz IOTYXGWTKVWIFW-PXNSSMCTSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN([C@@H](C)c3ccccc3)C2)C1 ZINC001031729256 729560527 /nfs/dbraw/zinc/56/05/27/729560527.db2.gz IOTYXGWTKVWIFW-PXNSSMCTSA-N 1 3 343.515 2.774 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766248 729773173 /nfs/dbraw/zinc/77/31/73/729773173.db2.gz DFLKXANUDVMFEW-MOPGFXCFSA-N 1 3 331.504 2.552 20 0 EFADHO O=C(NCC1CN(CC2=CCCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001031766248 729773174 /nfs/dbraw/zinc/77/31/74/729773174.db2.gz DFLKXANUDVMFEW-MOPGFXCFSA-N 1 3 331.504 2.552 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503871 1087802793 /nfs/dbraw/zinc/80/27/93/1087802793.db2.gz MCGMPAAWOGHUSP-IYWMVGAKSA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503871 1087802824 /nfs/dbraw/zinc/80/28/24/1087802824.db2.gz MCGMPAAWOGHUSP-IYWMVGAKSA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC001646746106 1088205314 /nfs/dbraw/zinc/20/53/14/1088205314.db2.gz JVROEKFBORUXGR-RBUKOAKNSA-N 1 3 325.456 2.829 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC001575233424 1088322481 /nfs/dbraw/zinc/32/24/81/1088322481.db2.gz SJCPPAAYQUCDJF-GGXPGOJBSA-N 1 3 337.508 2.741 20 0 EFADHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)C1 ZINC001575233424 1088322496 /nfs/dbraw/zinc/32/24/96/1088322496.db2.gz SJCPPAAYQUCDJF-GGXPGOJBSA-N 1 3 337.508 2.741 20 0 EFADHO CC(C)(N)C[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001575354143 1088411214 /nfs/dbraw/zinc/41/12/14/1088411214.db2.gz GNXICLWLBCDTGM-UHFFFAOYSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)(N)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001575354143 1088411218 /nfs/dbraw/zinc/41/12/18/1088411218.db2.gz GNXICLWLBCDTGM-UHFFFAOYSA-N 1 3 325.497 2.837 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575429446 1088466801 /nfs/dbraw/zinc/46/68/01/1088466801.db2.gz HDBMCWPRKWHQAC-VPSFDDGASA-N 1 3 339.524 2.998 20 0 EFADHO CC(C)[C@@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC001575435756 1088470364 /nfs/dbraw/zinc/47/03/64/1088470364.db2.gz WZBCNUDKQLRXKM-HUUCEWRRSA-N 1 3 343.512 2.835 20 0 EFADHO CC(C)[C@H]1[NH2+]CC12CCN([C@@H]1CCCN(c3ccccc3)C1=O)CC2 ZINC001575521288 1088530152 /nfs/dbraw/zinc/53/01/52/1088530152.db2.gz CCTILKQHGIRKDT-RTBURBONSA-N 1 3 341.499 2.892 20 0 EFADHO CC(C)COc1ccccc1CNC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001575616502 1088590710 /nfs/dbraw/zinc/59/07/10/1088590710.db2.gz ABQAZPFNKCAFGN-GOSISDBHSA-N 1 3 332.488 2.970 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)N(C)C)cc1 ZINC001575648853 1088609386 /nfs/dbraw/zinc/60/93/86/1088609386.db2.gz RDUJIOIZOYYODM-VDGAXYAQSA-N 1 3 345.531 2.992 20 0 EFADHO CC(C)C[C@H]([NH3+])CC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001575645248 1088610159 /nfs/dbraw/zinc/61/01/59/1088610159.db2.gz ZKYSPXWULZFTOM-MJGOQNOKSA-N 1 3 331.504 2.730 20 0 EFADHO CC(C)[C@H]([NH3+])CCNCc1cccc(I)c1 ZINC001575839302 1088724425 /nfs/dbraw/zinc/72/44/25/1088724425.db2.gz XQPCTUGSNUTWSC-CYBMUJFWSA-N 1 3 332.229 2.754 20 0 EFADHO CC(C)N(CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC001647088921 1088875616 /nfs/dbraw/zinc/87/56/16/1088875616.db2.gz UOGVRNDJFDGQLF-UHFFFAOYSA-N 1 3 345.531 2.929 20 0 EFADHO C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H](c1ccccc1)N(C)C ZINC001576187203 1088988864 /nfs/dbraw/zinc/98/88/64/1088988864.db2.gz YZJNXEOUROLODN-LPSJILIQSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC001576215216 1089013709 /nfs/dbraw/zinc/01/37/09/1089013709.db2.gz DRSFWZAXJMNFBI-HUUCEWRRSA-N 1 3 325.497 2.611 20 0 EFADHO C[C@@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576239506 1089034838 /nfs/dbraw/zinc/03/48/38/1089034838.db2.gz OOXURYCFMQYVMA-OWCLPIDISA-N 1 3 325.497 2.896 20 0 EFADHO C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576239503 1089036137 /nfs/dbraw/zinc/03/61/37/1089036137.db2.gz OOXURYCFMQYVMA-ARFHVFGLSA-N 1 3 325.497 2.896 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001576381816 1089167760 /nfs/dbraw/zinc/16/77/60/1089167760.db2.gz GXFCZWQTGLFIRR-JLZZUVOBSA-N 1 3 346.425 2.859 20 0 EFADHO CC1(C)C[NH2+][C@@H]1C1CCN([C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC001576469620 1089277325 /nfs/dbraw/zinc/27/73/25/1089277325.db2.gz QNZHDJGZCTVLTJ-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC001576574425 1089335068 /nfs/dbraw/zinc/33/50/68/1089335068.db2.gz XBXIKCPKZCLWOF-MJKGWSOKSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCN1Cc1ccccc1 ZINC001576574422 1089335353 /nfs/dbraw/zinc/33/53/53/1089335353.db2.gz XBXIKCPKZCLWOF-DLVXIWMQSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H]1[C@H]2CC[C@@H](C[C@H]1NC1CC3(C[C@H]3NC(=O)OC(C)(C)C)C1)[NH2+]2 ZINC001576588113 1089339174 /nfs/dbraw/zinc/33/91/74/1089339174.db2.gz QBRXSEMAHFLKGZ-SSFKKHLESA-N 1 3 335.492 2.551 20 0 EFADHO C[C@@H]1C[C@H](CN2C[C@H]3CCC[C@]3([NH3+])C2)CCN1C(=O)OC(C)(C)C ZINC001576596994 1089343875 /nfs/dbraw/zinc/34/38/75/1089343875.db2.gz CPUAMOOZYHSYRG-NNFUDEMPSA-N 1 3 337.508 2.835 20 0 EFADHO C[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576597312 1089346287 /nfs/dbraw/zinc/34/62/87/1089346287.db2.gz FLRIVNOFIYGBKK-LTIDMASMSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1CN ZINC001576597312 1089346297 /nfs/dbraw/zinc/34/62/97/1089346297.db2.gz FLRIVNOFIYGBKK-LTIDMASMSA-N 1 3 339.524 2.939 20 0 EFADHO C[C@@H]1C[C@H](C)N(C[C@@H]2CCC[NH2+]C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001576600208 1089349271 /nfs/dbraw/zinc/34/92/71/1089349271.db2.gz YYSPNIRHGYQUDN-YYIAUSFCSA-N 1 3 339.524 2.857 20 0 EFADHO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623958 1089360029 /nfs/dbraw/zinc/36/00/29/1089360029.db2.gz NBFWLHQRWLPIGX-FXUDXRNXSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623958 1089360044 /nfs/dbraw/zinc/36/00/44/1089360044.db2.gz NBFWLHQRWLPIGX-FXUDXRNXSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623960 1089360526 /nfs/dbraw/zinc/36/05/26/1089360526.db2.gz NBFWLHQRWLPIGX-KLHDSHLOSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001576623960 1089360532 /nfs/dbraw/zinc/36/05/32/1089360532.db2.gz NBFWLHQRWLPIGX-KLHDSHLOSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001576747467 1089435402 /nfs/dbraw/zinc/43/54/02/1089435402.db2.gz ASNIOFLCYXPTKR-FMKPAKJESA-N 1 3 325.497 2.752 20 0 EFADHO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001576747470 1089435784 /nfs/dbraw/zinc/43/57/84/1089435784.db2.gz ASNIOFLCYXPTKR-YCPHGPKFSA-N 1 3 325.497 2.752 20 0 EFADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001576905590 1089518271 /nfs/dbraw/zinc/51/82/71/1089518271.db2.gz DDOHBGOMNJIRAL-QAPCUYQASA-N 1 3 345.487 2.515 20 0 EFADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001576905586 1089519470 /nfs/dbraw/zinc/51/94/70/1089519470.db2.gz DDOHBGOMNJIRAL-CRAIPNDOSA-N 1 3 345.487 2.515 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001576905588 1089519558 /nfs/dbraw/zinc/51/95/58/1089519558.db2.gz DDOHBGOMNJIRAL-MAUKXSAKSA-N 1 3 345.487 2.515 20 0 EFADHO CN1CCCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC001647558551 1089541588 /nfs/dbraw/zinc/54/15/88/1089541588.db2.gz HMILDPQDDWDGGR-YLJYHZDGSA-N 1 3 342.483 2.901 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562831 1089549107 /nfs/dbraw/zinc/54/91/07/1089549107.db2.gz LLZNECPHXBEYMM-HOCLYGCPSA-N 1 3 330.394 2.540 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562831 1089549117 /nfs/dbraw/zinc/54/91/17/1089549117.db2.gz LLZNECPHXBEYMM-HOCLYGCPSA-N 1 3 330.394 2.540 20 0 EFADHO CCN1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC001647562831 1089549134 /nfs/dbraw/zinc/54/91/34/1089549134.db2.gz LLZNECPHXBEYMM-HOCLYGCPSA-N 1 3 330.394 2.540 20 0 EFADHO CC[C@@H](C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001576983160 1089562727 /nfs/dbraw/zinc/56/27/27/1089562727.db2.gz OWOBRYNBCFAVBT-NEWSRXKRSA-N 1 3 331.504 2.921 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)NCc1ccccc1C[NH3+])c1ccco1 ZINC001577004061 1089577414 /nfs/dbraw/zinc/57/74/14/1089577414.db2.gz QGKMYRXWRXZUHB-RHSMWYFYSA-N 1 3 344.459 2.667 20 0 EFADHO CC[C@H](NC[C@@H]([NH3+])CC(F)F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC001577176343 1089721575 /nfs/dbraw/zinc/72/15/75/1089721575.db2.gz ZIJJJPBNTYNXRF-ZOBUZTSGSA-N 1 3 337.418 2.527 20 0 EFADHO CC[C@H](NC[C@H]([NH3+])CC(F)F)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC001577176340 1089722566 /nfs/dbraw/zinc/72/25/66/1089722566.db2.gz ZIJJJPBNTYNXRF-HLLBOEOZSA-N 1 3 337.418 2.527 20 0 EFADHO CCCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001577491989 1090004819 /nfs/dbraw/zinc/00/48/19/1090004819.db2.gz CRCAVWXYGVFAKY-CEXWTWQISA-N 1 3 329.488 2.627 20 0 EFADHO CCCN(Cc1c(C[NH3+])cnn1C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001577523934 1090033392 /nfs/dbraw/zinc/03/33/92/1090033392.db2.gz MYHIFKDTOLPPBC-QZTJIDSGSA-N 1 3 334.508 2.829 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577548512 1090046270 /nfs/dbraw/zinc/04/62/70/1090046270.db2.gz WXLZYTPPFYDXSC-PKOBYXMFSA-N 1 3 331.504 2.886 20 0 EFADHO CCCOc1c(OC)cc(CCN[C@@H]2C[C@H]([NH3+])C2(C)C)cc1OC ZINC001577579791 1090060868 /nfs/dbraw/zinc/06/08/68/1090060868.db2.gz GRQBGWSSGASQOY-DLBZAZTESA-N 1 3 336.476 2.751 20 0 EFADHO CCN(C(=O)c1cccc(CN2CCCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC001577645889 1090101424 /nfs/dbraw/zinc/10/14/24/1090101424.db2.gz DJVYGCAHVXRXNS-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CCN(CCNCc1ccc(N2CC[NH2+]CC2)o1)c1ccccc1C ZINC001577725513 1090150759 /nfs/dbraw/zinc/15/07/59/1090150759.db2.gz AEVTWAHHKMSODX-UHFFFAOYSA-N 1 3 342.487 2.614 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@H]([NH3+])CC(C)C)cc2)CC1 ZINC001577778050 1090178731 /nfs/dbraw/zinc/17/87/31/1090178731.db2.gz BGVFLMIKESZIOH-GOSISDBHSA-N 1 3 346.519 2.526 20 0 EFADHO CCOC(=O)[C@]1(Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC001577929178 1090216408 /nfs/dbraw/zinc/21/64/08/1090216408.db2.gz YHRQLGLKUALWIG-UYAOXDASSA-N 1 3 330.472 2.626 20 0 EFADHO CCOC(=O)c1cc(CN2CCC[C@H](C3CC[NH2+]CC3)C2)[nH]c1C ZINC001578054033 1090237416 /nfs/dbraw/zinc/23/74/16/1090237416.db2.gz QXZUVORKPNVLPW-INIZCTEOSA-N 1 3 333.476 2.711 20 0 EFADHO CCc1ccc([C@H](CNC(=O)c2ccc(CC[NH3+])cc2)N(C)C)cc1 ZINC001578253805 1090318344 /nfs/dbraw/zinc/31/83/44/1090318344.db2.gz MTQWIFBDYLVRAB-FQEVSTJZSA-N 1 3 339.483 2.783 20 0 EFADHO CCc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC001578266110 1090321880 /nfs/dbraw/zinc/32/18/80/1090321880.db2.gz ZIPNXKIXLURZOZ-INIZCTEOSA-N 1 3 339.483 2.689 20 0 EFADHO CN(C)[C@@H]1Cc2ccccc2N(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC001578413793 1090367737 /nfs/dbraw/zinc/36/77/37/1090367737.db2.gz WTTWQDBCICSZJA-SHIAMNQESA-N 1 3 341.499 2.660 20 0 EFADHO CN(C)Cc1ccccc1NC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC001578421523 1090368046 /nfs/dbraw/zinc/36/80/46/1090368046.db2.gz TZUARMNIPAUEIS-CSLYMUCUSA-N 1 3 333.501 2.690 20 0 EFADHO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(s2)CNCC3)c(F)c1 ZINC001578421246 1090368580 /nfs/dbraw/zinc/36/85/80/1090368580.db2.gz MSIOHBMQQPCISP-UHFFFAOYSA-N 1 3 333.432 2.847 20 0 EFADHO CN(CCN(Cc1ccccn1)C1CC[NH2+]CC1)Cc1ccccc1 ZINC001578470189 1090380733 /nfs/dbraw/zinc/38/07/33/1090380733.db2.gz SBCGQNJJGDAGLI-UHFFFAOYSA-N 1 3 338.499 2.768 20 0 EFADHO CNC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653665 1090414018 /nfs/dbraw/zinc/41/40/18/1090414018.db2.gz BHMHDQGFSNOEBW-GDBMZVCRSA-N 1 3 346.393 2.563 20 0 EFADHO CNC[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653665 1090414020 /nfs/dbraw/zinc/41/40/20/1090414020.db2.gz BHMHDQGFSNOEBW-GDBMZVCRSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]C[C@@H](O)CN1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001578653665 1090414021 /nfs/dbraw/zinc/41/40/21/1090414021.db2.gz BHMHDQGFSNOEBW-GDBMZVCRSA-N 1 3 346.393 2.563 20 0 EFADHO C[NH2+]C[C@H]1CCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001578664152 1090416462 /nfs/dbraw/zinc/41/64/62/1090416462.db2.gz OZMCYRFMJJMTGL-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO C[NH2+]CCC1CCN([C@@H]2CCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC001578677896 1090419551 /nfs/dbraw/zinc/41/95/51/1090419551.db2.gz RYQDOOFSVJDBCE-DNVCBOLYSA-N 1 3 347.478 2.809 20 0 EFADHO C[NH2+]CCC1CCN(C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001578677832 1090419808 /nfs/dbraw/zinc/41/98/08/1090419808.db2.gz NGYKVQWRHSHYIN-HNNXBMFYSA-N 1 3 338.517 2.515 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC001578716594 1090425537 /nfs/dbraw/zinc/42/55/37/1090425537.db2.gz RJPMWGMJNJEWMY-JXFKEZNVSA-N 1 3 339.483 2.870 20 0 EFADHO COC(=O)/C=C/c1ccc(OCCN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC001578797552 1090444497 /nfs/dbraw/zinc/44/44/97/1090444497.db2.gz OLZKEMPDRSTBOG-JQKGGACNSA-N 1 3 346.471 2.557 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001578847842 1090453022 /nfs/dbraw/zinc/45/30/22/1090453022.db2.gz WNFWFTPXEZTFTD-OAHLLOKOSA-N 1 3 341.455 2.776 20 0 EFADHO COC(=O)c1ccc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)nc1 ZINC001578863827 1090457571 /nfs/dbraw/zinc/45/75/71/1090457571.db2.gz JFIHLBXGGPBCMJ-HNAYVOBHSA-N 1 3 345.487 2.988 20 0 EFADHO COC(=O)c1cccc(OCCN2CCCC[C@H]2C2(C[NH3+])CCC2)c1 ZINC001578877764 1090461899 /nfs/dbraw/zinc/46/18/99/1090461899.db2.gz KMFLOTAJNVOBAP-SFHVURJKSA-N 1 3 346.471 2.836 20 0 EFADHO COCCOc1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001579064106 1090512536 /nfs/dbraw/zinc/51/25/36/1090512536.db2.gz AQILRDGBADEYDI-UHFFFAOYSA-N 1 3 326.440 2.647 20 0 EFADHO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc2c(s1)CNCC2 ZINC001579150738 1090527697 /nfs/dbraw/zinc/52/76/97/1090527697.db2.gz SASIOCSLLCHUOH-UHFFFAOYSA-N 1 3 345.468 2.716 20 0 EFADHO COc1ccc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1Cl ZINC001579212281 1090548140 /nfs/dbraw/zinc/54/81/40/1090548140.db2.gz OMNBFOQACKWGAH-HNNXBMFYSA-N 1 3 338.879 2.939 20 0 EFADHO COc1ccccc1-c1noc([C@H](C)NC[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001579296468 1090583572 /nfs/dbraw/zinc/58/35/72/1090583572.db2.gz AFQKTPBDHOQIBW-IHRRRGAJSA-N 1 3 330.432 2.784 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C[C@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001579387547 1090602520 /nfs/dbraw/zinc/60/25/20/1090602520.db2.gz GIMMPSDSQCNZGI-NVXWUHKLSA-N 1 3 337.533 2.891 20 0 EFADHO CSc1ccc(OC[C@H](O)CN[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC001579393411 1090604519 /nfs/dbraw/zinc/60/45/19/1090604519.db2.gz SXGAZHAOGHEPFO-QAPCUYQASA-N 1 3 338.517 2.645 20 0 EFADHO C[C@@H]1C[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CN ZINC001579440100 1090612814 /nfs/dbraw/zinc/61/28/14/1090612814.db2.gz OTITVUJBDYJBNC-GDBMZVCRSA-N 1 3 325.497 2.550 20 0 EFADHO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CN ZINC001579440100 1090612820 /nfs/dbraw/zinc/61/28/20/1090612820.db2.gz OTITVUJBDYJBNC-GDBMZVCRSA-N 1 3 325.497 2.550 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001579499248 1090622941 /nfs/dbraw/zinc/62/29/41/1090622941.db2.gz GBTLCKOZPGFRBJ-ZHCJQAHYSA-N 1 3 337.508 2.752 20 0 EFADHO Cc1cc([C@H](N)CC(=O)NC(C)(C)CCC[NH+](C)C)cc(Cl)n1 ZINC001579571248 1090636305 /nfs/dbraw/zinc/63/63/05/1090636305.db2.gz RKWHYWXTMUMIQL-CQSZACIVSA-N 1 3 340.899 2.670 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)c2ncoc2C2CC[NH2+]CC2)c1 ZINC001579592886 1090638275 /nfs/dbraw/zinc/63/82/75/1090638275.db2.gz MWQKDFNUQHXRBW-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]C[C@H]1CNCCC1(F)F ZINC001579589776 1090638857 /nfs/dbraw/zinc/63/88/57/1090638857.db2.gz CGFTXRUMFHGLGQ-OAHLLOKOSA-N 1 3 340.414 2.683 20 0 EFADHO Cc1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)c(CN(C)C)c1 ZINC001579715102 1090669326 /nfs/dbraw/zinc/66/93/26/1090669326.db2.gz GDSCWPCZUSYYCS-ATZDWAIDSA-N 1 3 345.487 2.542 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001579761711 1090681938 /nfs/dbraw/zinc/68/19/38/1090681938.db2.gz RMMWTECTUYEODJ-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO Clc1cnc2oc(CNC[C@@H]3CC4(CO3)CC[NH2+]CC4)cc2c1 ZINC001579938965 1090728594 /nfs/dbraw/zinc/72/85/94/1090728594.db2.gz PHQPTELUXHLZGA-HNNXBMFYSA-N 1 3 335.835 2.730 20 0 EFADHO [NH3+]C[C@H]1CC2(CO1)CCN(Cc1ccccc1OCC(F)F)CC2 ZINC001580257563 1090837188 /nfs/dbraw/zinc/83/71/88/1090837188.db2.gz RWJSFCULOSEYIC-OAHLLOKOSA-N 1 3 340.414 2.660 20 0 EFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001580672546 1090982641 /nfs/dbraw/zinc/98/26/41/1090982641.db2.gz FTRYQRHELIUNOH-UXHICEINSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(NC[C@H]1NCCc2ccccc21)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001580672546 1090982646 /nfs/dbraw/zinc/98/26/46/1090982646.db2.gz FTRYQRHELIUNOH-UXHICEINSA-N 1 3 341.499 2.787 20 0 EFADHO O=C(Nc1cccc2c1C[NH2+]C2)C(C[C@H]1CCCO1)C(F)(F)F ZINC001580780099 1091006706 /nfs/dbraw/zinc/00/67/06/1091006706.db2.gz IKEHNBDQYJSVGP-DGCLKSJQSA-N 1 3 328.334 2.976 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001580821489 1091020396 /nfs/dbraw/zinc/02/03/96/1091020396.db2.gz XADSSUMACOHYEH-PMACEKPBSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001580821494 1091021553 /nfs/dbraw/zinc/02/15/53/1091021553.db2.gz XADSSUMACOHYEH-WOJBJXKFSA-N 1 3 341.499 2.887 20 0 EFADHO O[C@@H]1CNCC[C@H]1[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC001580880068 1091033797 /nfs/dbraw/zinc/03/37/97/1091033797.db2.gz JAPFJMYFHJAPLB-VPELESPFSA-N 1 3 338.451 2.591 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)CCC[NH+](C)C ZINC001480908693 1092242792 /nfs/dbraw/zinc/24/27/92/1092242792.db2.gz ZLYLNQRMKXPEBT-UHFFFAOYSA-N 1 3 325.884 2.538 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC1([NH2+]CCOC(C)C)CCCCC1 ZINC001115601927 1092665949 /nfs/dbraw/zinc/66/59/49/1092665949.db2.gz ZRIGWBAUPSEBBI-UHFFFAOYSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1N1CCN(C)CC1 ZINC001649838309 1092729329 /nfs/dbraw/zinc/72/93/29/1092729329.db2.gz HBAKTUYQERNINW-AZUAARDMSA-N 1 3 344.547 2.839 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001650005187 1092872340 /nfs/dbraw/zinc/87/23/40/1092872340.db2.gz LIJQVLQTMVBSFG-QYZOEREBSA-N 1 3 347.503 2.723 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1)N(C)C ZINC001087214572 1092897782 /nfs/dbraw/zinc/89/77/82/1092897782.db2.gz BXLBVDJKWJGHMB-NEWSRXKRSA-N 1 3 331.504 2.744 20 0 EFADHO c1cc2c(cc1-c1nnn[n-]1)CCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC001588384551 1092938459 /nfs/dbraw/zinc/93/84/59/1092938459.db2.gz WGBWXHVVCCNPDC-SFHVURJKSA-N 1 3 338.459 2.534 20 0 EFADHO c1cc2c(cc1-c1nn[n-]n1)CCCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC001588384551 1092938469 /nfs/dbraw/zinc/93/84/69/1092938469.db2.gz WGBWXHVVCCNPDC-SFHVURJKSA-N 1 3 338.459 2.534 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453976 1093040092 /nfs/dbraw/zinc/04/00/92/1093040092.db2.gz HXAJVZHKRADQKQ-LPHOPBHVSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)CC1 ZINC001075453976 1093040106 /nfs/dbraw/zinc/04/01/06/1093040106.db2.gz HXAJVZHKRADQKQ-LPHOPBHVSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454206 1093043365 /nfs/dbraw/zinc/04/33/65/1093043365.db2.gz NOCOHEVAOSXKFV-MJGOQNOKSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454206 1093043372 /nfs/dbraw/zinc/04/33/72/1093043372.db2.gz NOCOHEVAOSXKFV-MJGOQNOKSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454205 1093044118 /nfs/dbraw/zinc/04/41/18/1093044118.db2.gz NOCOHEVAOSXKFV-HKUYNNGSSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)CC1 ZINC001075454205 1093044127 /nfs/dbraw/zinc/04/41/27/1093044127.db2.gz NOCOHEVAOSXKFV-HKUYNNGSSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)[C@@H]2CCCCN2C(C)C)c1 ZINC001167627588 1093147000 /nfs/dbraw/zinc/14/70/00/1093147000.db2.gz QARFIVYNBDOXMQ-IBGZPJMESA-N 1 3 349.494 2.993 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001167626914 1093148727 /nfs/dbraw/zinc/14/87/27/1093148727.db2.gz HORMPWRCMOLZKX-GOSISDBHSA-N 1 3 335.467 2.685 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001167635210 1093167740 /nfs/dbraw/zinc/16/77/40/1093167740.db2.gz LJZBDEVSFMHDIL-HOTGVXAUSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001167635208 1093167910 /nfs/dbraw/zinc/16/79/10/1093167910.db2.gz LJZBDEVSFMHDIL-CVEARBPZSA-N 1 3 345.478 2.781 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCCN2C(C)C)cc1F ZINC001167636572 1093170179 /nfs/dbraw/zinc/17/01/79/1093170179.db2.gz VLDWCZMRWUJDPD-LJQANCHMSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961770 1093196313 /nfs/dbraw/zinc/19/63/13/1093196313.db2.gz PKJFYGRNEXELMY-HNNXBMFYSA-N 1 3 343.479 2.569 20 0 EFADHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001589961770 1093196316 /nfs/dbraw/zinc/19/63/16/1093196316.db2.gz PKJFYGRNEXELMY-HNNXBMFYSA-N 1 3 343.479 2.569 20 0 EFADHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961758 1093196958 /nfs/dbraw/zinc/19/69/58/1093196958.db2.gz PIHZNJUQJWRXQH-CABCVRRESA-N 1 3 343.479 2.567 20 0 EFADHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cc(-c2nnn[n-]2)ccn1 ZINC001589961758 1093196962 /nfs/dbraw/zinc/19/69/62/1093196962.db2.gz PIHZNJUQJWRXQH-CABCVRRESA-N 1 3 343.479 2.567 20 0 EFADHO CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458352 1093227496 /nfs/dbraw/zinc/22/74/96/1093227496.db2.gz DAAKRJGOUWHHTK-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)CC1 ZINC001075458352 1093227506 /nfs/dbraw/zinc/22/75/06/1093227506.db2.gz DAAKRJGOUWHHTK-QZTJIDSGSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458464 1093230278 /nfs/dbraw/zinc/23/02/78/1093230278.db2.gz GVDVZSSUNSMMMG-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458464 1093230288 /nfs/dbraw/zinc/23/02/88/1093230288.db2.gz GVDVZSSUNSMMMG-QGZVFWFLSA-N 1 3 346.519 2.949 20 0 EFADHO CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458694 1093232431 /nfs/dbraw/zinc/23/24/31/1093232431.db2.gz NOCOHEVAOSXKFV-PKOBYXMFSA-N 1 3 337.552 2.933 20 0 EFADHO CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)CC1 ZINC001075458694 1093232436 /nfs/dbraw/zinc/23/24/36/1093232436.db2.gz NOCOHEVAOSXKFV-PKOBYXMFSA-N 1 3 337.552 2.933 20 0 EFADHO C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001591023211 1093652644 /nfs/dbraw/zinc/65/26/44/1093652644.db2.gz QTMVVRHPZOYICE-UHFFFAOYSA-N 1 3 336.443 2.560 20 0 EFADHO C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001591023211 1093652648 /nfs/dbraw/zinc/65/26/48/1093652648.db2.gz QTMVVRHPZOYICE-UHFFFAOYSA-N 1 3 336.443 2.560 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1-c1nnn[n-]1 ZINC001592154240 1094002657 /nfs/dbraw/zinc/00/26/57/1094002657.db2.gz XJWVBIZEEJYAQS-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO Cc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1-c1nn[n-]n1 ZINC001592154240 1094002662 /nfs/dbraw/zinc/00/26/62/1094002662.db2.gz XJWVBIZEEJYAQS-UHFFFAOYSA-N 1 3 342.491 2.729 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1c1ccccc1 ZINC001211615853 1094311587 /nfs/dbraw/zinc/31/15/87/1094311587.db2.gz JULPFKUTDJTJND-VQTJNVASSA-N 1 3 343.515 2.855 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1c1ccccc1 ZINC001211620170 1094355968 /nfs/dbraw/zinc/35/59/68/1094355968.db2.gz ICVMENFYMZUEGI-ZCNNSNEGSA-N 1 3 345.531 2.957 20 0 EFADHO c1cc(-c2nnn[n-]2)cc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC001593563685 1094369796 /nfs/dbraw/zinc/36/97/96/1094369796.db2.gz CQQPORIUNCRFPS-SFHVURJKSA-N 1 3 340.475 2.710 20 0 EFADHO c1cc(-c2nn[n-]n2)cc2c1CC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC001593563685 1094369808 /nfs/dbraw/zinc/36/98/08/1094369808.db2.gz CQQPORIUNCRFPS-SFHVURJKSA-N 1 3 340.475 2.710 20 0 EFADHO CCc1ccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001481094906 1094450976 /nfs/dbraw/zinc/45/09/76/1094450976.db2.gz CDKJRVMREKJRDB-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001481094906 1094450982 /nfs/dbraw/zinc/45/09/82/1094450982.db2.gz CDKJRVMREKJRDB-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096370 1094469430 /nfs/dbraw/zinc/46/94/30/1094469430.db2.gz SPRKSFCRMCIVAV-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001481096370 1094469432 /nfs/dbraw/zinc/46/94/32/1094469432.db2.gz SPRKSFCRMCIVAV-ROUUACIJSA-N 1 3 343.515 2.978 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C(C)C)C1 ZINC001211627991 1094577256 /nfs/dbraw/zinc/57/72/56/1094577256.db2.gz XNRMOCUQYONFMC-ZWKOTPCHSA-N 1 3 331.504 2.709 20 0 EFADHO CC(C)CCC[NH2+]CC[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001104676279 1094590598 /nfs/dbraw/zinc/59/05/98/1094590598.db2.gz COUOSHRQXUPDJF-CEXWTWQISA-N 1 3 337.552 2.981 20 0 EFADHO CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681107 1094613233 /nfs/dbraw/zinc/61/32/33/1094613233.db2.gz DRQLJPLJQZNUDU-GPMSIDNRSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001104681801 1094617218 /nfs/dbraw/zinc/61/72/18/1094617218.db2.gz POPDQDCTJKLHHV-MDZRGWNJSA-N 1 3 341.515 2.682 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]C/C=C/Cl ZINC001104683162 1094629500 /nfs/dbraw/zinc/62/95/00/1094629500.db2.gz HLBHUXACNOYGIY-CGMDNHBQSA-N 1 3 343.943 2.791 20 0 EFADHO CCOCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000782968882 1094635078 /nfs/dbraw/zinc/63/50/78/1094635078.db2.gz ZQMHTWAXEOKEOO-WOJBJXKFSA-N 1 3 348.487 2.527 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001104690524 1094644532 /nfs/dbraw/zinc/64/45/32/1094644532.db2.gz HEUHSFNWWKOGRY-ZACQAIPSSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001104691699 1094645728 /nfs/dbraw/zinc/64/57/28/1094645728.db2.gz RMLDKIRRGHOKDE-RLLQIKCJSA-N 1 3 345.531 2.909 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](C/C=C/Cl)C2)c1 ZINC001481461868 1094701813 /nfs/dbraw/zinc/70/18/13/1094701813.db2.gz KBCUWSYDUUAGMG-VCIFKONDSA-N 1 3 349.906 2.943 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](C/C=C/Cl)C2)c1 ZINC001481461868 1094701823 /nfs/dbraw/zinc/70/18/23/1094701823.db2.gz KBCUWSYDUUAGMG-VCIFKONDSA-N 1 3 349.906 2.943 20 0 EFADHO Cc1cccc(C[NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001104729357 1094763850 /nfs/dbraw/zinc/76/38/50/1094763850.db2.gz UNOIDADAWYLBRG-SJLPKXTDSA-N 1 3 340.471 2.535 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529934 1094765536 /nfs/dbraw/zinc/76/55/36/1094765536.db2.gz VXNLTMYNUSYXCL-YJKCGTDLSA-N 1 3 347.547 2.903 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001104731970 1094782019 /nfs/dbraw/zinc/78/20/19/1094782019.db2.gz GTLVTYWQMJVDFH-JFIYKMOQSA-N 1 3 340.471 2.788 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001211691026 1094785785 /nfs/dbraw/zinc/78/57/85/1094785785.db2.gz QRUUHNJOPGKNKB-OPEQHFAOSA-N 1 3 349.906 2.665 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCN(CCC(F)(F)F)C1 ZINC001481124944 1094831882 /nfs/dbraw/zinc/83/18/82/1094831882.db2.gz YFZYNMZEYAPUAE-OAHLLOKOSA-N 1 3 349.441 2.643 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CCCF)C2)c1 ZINC001481508080 1094996695 /nfs/dbraw/zinc/99/66/95/1094996695.db2.gz HYZOFAZGYARWJH-KRWDZBQOSA-N 1 3 335.467 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CCCF)C2)c1 ZINC001481508080 1094996705 /nfs/dbraw/zinc/99/67/05/1094996705.db2.gz HYZOFAZGYARWJH-KRWDZBQOSA-N 1 3 335.467 2.502 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001481153853 1095015285 /nfs/dbraw/zinc/01/52/85/1095015285.db2.gz NQUJGZWHXWQWCW-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)cc1 ZINC001481153853 1095015299 /nfs/dbraw/zinc/01/52/99/1095015299.db2.gz NQUJGZWHXWQWCW-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CCCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1ccccc1 ZINC001211695219 1095045821 /nfs/dbraw/zinc/04/58/21/1095045821.db2.gz RDERTBITCCMEHE-RBUKOAKNSA-N 1 3 331.504 2.713 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCCF)C1)CC(C)(C)C ZINC001112531525 1095086156 /nfs/dbraw/zinc/08/61/56/1095086156.db2.gz BKGLMSPGAWNWQV-LPHOPBHVSA-N 1 3 341.515 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC001481526486 1095122730 /nfs/dbraw/zinc/12/27/30/1095122730.db2.gz GIPMBMKLHZZXTC-UHOSZYNNSA-N 1 3 331.504 2.914 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001481182913 1095169640 /nfs/dbraw/zinc/16/96/40/1095169640.db2.gz PFMWCGCZLJLBCL-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC001167827214 1095224221 /nfs/dbraw/zinc/22/42/21/1095224221.db2.gz UVBFFRJIEQGIMK-SFHVURJKSA-N 1 3 333.524 2.726 20 0 EFADHO C[C@H](CC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)N(C)C ZINC000695203249 1095281878 /nfs/dbraw/zinc/28/18/78/1095281878.db2.gz GDGMBLCDZFCNBJ-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC(C)C)[C@H]2C1(C)C ZINC001087316684 1095299054 /nfs/dbraw/zinc/29/90/54/1095299054.db2.gz WFPUPCANAIVDSL-ZTFGCOKTSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC(C)C)[C@H]2C1(C)C ZINC001087316684 1095299064 /nfs/dbraw/zinc/29/90/64/1095299064.db2.gz WFPUPCANAIVDSL-ZTFGCOKTSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC(C)C)[C@@H]2C1(C)C ZINC001087316682 1095301119 /nfs/dbraw/zinc/30/11/19/1095301119.db2.gz WFPUPCANAIVDSL-OLMNPRSZSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC(C)C)[C@@H]2C1(C)C ZINC001087316682 1095301129 /nfs/dbraw/zinc/30/11/29/1095301129.db2.gz WFPUPCANAIVDSL-OLMNPRSZSA-N 1 3 332.492 2.522 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001087316830 1095302659 /nfs/dbraw/zinc/30/26/59/1095302659.db2.gz YCOQOEDKIVONIQ-IPELMVKDSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001087316830 1095302674 /nfs/dbraw/zinc/30/26/74/1095302674.db2.gz YCOQOEDKIVONIQ-IPELMVKDSA-N 1 3 344.503 2.666 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCCN(C(=O)c2ccco2)CC1 ZINC001167839510 1095343401 /nfs/dbraw/zinc/34/34/01/1095343401.db2.gz YNNSHDNHJGNPOQ-QGZVFWFLSA-N 1 3 335.492 2.938 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)CN(CC)CC)C1 ZINC001100769540 1095599949 /nfs/dbraw/zinc/59/99/49/1095599949.db2.gz OZZYTIQCIKHWFO-UHFFFAOYSA-N 1 3 331.504 2.575 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1C1CC1 ZINC001480975617 1095636583 /nfs/dbraw/zinc/63/65/83/1095636583.db2.gz CMFCUOSIPBTYGB-VQIMIIECSA-N 1 3 343.515 2.842 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1C1CC1 ZINC001480975617 1095636588 /nfs/dbraw/zinc/63/65/88/1095636588.db2.gz CMFCUOSIPBTYGB-VQIMIIECSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104754002 1095685729 /nfs/dbraw/zinc/68/57/29/1095685729.db2.gz YRPMYJNWRYXACK-KZNAEPCWSA-N 1 3 341.515 2.683 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000981958052 1095796218 /nfs/dbraw/zinc/79/62/18/1095796218.db2.gz AHZXIPRANQIYEH-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000981958052 1095796231 /nfs/dbraw/zinc/79/62/31/1095796231.db2.gz AHZXIPRANQIYEH-AZUAARDMSA-N 1 3 343.515 2.535 20 0 EFADHO CN(CC(=O)NCC1C[NH+](Cc2ccccc2C2CC2)C1)C1CCC1 ZINC001481629421 1095992262 /nfs/dbraw/zinc/99/22/62/1095992262.db2.gz HOURRWYOTIGNBU-UHFFFAOYSA-N 1 3 341.499 2.596 20 0 EFADHO NCc1nn(-c2ccc(COC3CC[NH2+]CC3)cc2)c2ccccc12 ZINC001167698188 1095998339 /nfs/dbraw/zinc/99/83/39/1095998339.db2.gz PMEDZCQPFHRMQL-UHFFFAOYSA-N 1 3 336.439 2.753 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCC(C)C)C1 ZINC001211711292 1096252534 /nfs/dbraw/zinc/25/25/34/1096252534.db2.gz AAMWZBMRBWEFTH-VQTJNVASSA-N 1 3 345.531 2.959 20 0 EFADHO CCC/C=C\CC[NH2+]CC1(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001167900532 1096331086 /nfs/dbraw/zinc/33/10/86/1096331086.db2.gz KRTLGTUUEFBJPX-WAYWQWQTSA-N 1 3 332.492 2.883 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603656485 1096580525 /nfs/dbraw/zinc/58/05/25/1096580525.db2.gz IXTVXOZKSHEBPS-CQSZACIVSA-N 1 3 349.442 2.581 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603656485 1096580532 /nfs/dbraw/zinc/58/05/32/1096580532.db2.gz IXTVXOZKSHEBPS-CQSZACIVSA-N 1 3 349.442 2.581 20 0 EFADHO C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603663165 1096583638 /nfs/dbraw/zinc/58/36/38/1096583638.db2.gz WHKUBNNWVONOPT-OAHLLOKOSA-N 1 3 328.464 2.783 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001211732478 1096631218 /nfs/dbraw/zinc/63/12/18/1096631218.db2.gz JFCBGPFBVGAKCJ-YTQUADARSA-N 1 3 349.494 2.659 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C)cc1C ZINC001481817762 1096733805 /nfs/dbraw/zinc/73/38/05/1096733805.db2.gz AJXBODBRSMPEDT-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC001481898338 1096890536 /nfs/dbraw/zinc/89/05/36/1096890536.db2.gz VPXOOJRMWADGPM-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO Cc1ccccc1C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCCC1 ZINC001481904703 1096899290 /nfs/dbraw/zinc/89/92/90/1096899290.db2.gz SFYKFWRIXCYXJF-KRWDZBQOSA-N 1 3 343.515 2.855 20 0 EFADHO CN(CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1)C1CC1)C1CCC1 ZINC001481929524 1096947271 /nfs/dbraw/zinc/94/72/71/1096947271.db2.gz BLCPMHDZWLWYAR-FQEVSTJZSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001481984160 1097046224 /nfs/dbraw/zinc/04/62/24/1097046224.db2.gz XUKOPOQOLZTOLR-VQTJNVASSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001482016101 1097088922 /nfs/dbraw/zinc/08/89/22/1097088922.db2.gz SQJSRVAMJOZEHV-GVPFUOMHSA-N 1 3 327.900 2.629 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](NC/C(Cl)=C/Cl)CC1 ZINC001482023064 1097096433 /nfs/dbraw/zinc/09/64/33/1097096433.db2.gz PHDAVBNNGXYTOD-JUKMJGIZSA-N 1 3 336.307 2.664 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)C ZINC001482102397 1097263325 /nfs/dbraw/zinc/26/33/25/1097263325.db2.gz SHIBHVBWWOKOON-DNVCBOLYSA-N 1 3 349.494 2.849 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccccc1Cl ZINC001482141147 1097395335 /nfs/dbraw/zinc/39/53/35/1097395335.db2.gz AXGPJQZWVXYMQV-GJZGRUSLSA-N 1 3 337.895 2.524 20 0 EFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609209469 1098203043 /nfs/dbraw/zinc/20/30/43/1098203043.db2.gz JMONJXZLGGRORJ-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609209469 1098203047 /nfs/dbraw/zinc/20/30/47/1098203047.db2.gz JMONJXZLGGRORJ-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609209469 1098203053 /nfs/dbraw/zinc/20/30/53/1098203053.db2.gz JMONJXZLGGRORJ-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609209469 1098203054 /nfs/dbraw/zinc/20/30/54/1098203054.db2.gz JMONJXZLGGRORJ-UHFFFAOYSA-N 1 3 342.491 2.811 20 0 EFADHO Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccc1-c1nnn[n-]1 ZINC001609401260 1098291776 /nfs/dbraw/zinc/29/17/76/1098291776.db2.gz CHBZOXZTAXCGJF-UHFFFAOYSA-N 1 3 328.464 2.531 20 0 EFADHO Cc1cc(C[NH2+]CCCCC[NH+]2CCCC2)ccc1-c1nn[n-]n1 ZINC001609401260 1098291781 /nfs/dbraw/zinc/29/17/81/1098291781.db2.gz CHBZOXZTAXCGJF-UHFFFAOYSA-N 1 3 328.464 2.531 20 0 EFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167958529 1098526433 /nfs/dbraw/zinc/52/64/33/1098526433.db2.gz GUGOTLQSJDERML-LNRIEFBSSA-N 1 3 337.508 2.895 20 0 EFADHO C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)NC(=O)OC(C)(C)C ZINC001167958529 1098526435 /nfs/dbraw/zinc/52/64/35/1098526435.db2.gz GUGOTLQSJDERML-LNRIEFBSSA-N 1 3 337.508 2.895 20 0 EFADHO O[C@]12C[C@H]3C[C@H](C[C@@H](C1)[C@H]3[NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167958692 1098536436 /nfs/dbraw/zinc/53/64/36/1098536436.db2.gz IGCFXMBFGZXGHQ-BRRXAFEBSA-N 1 3 330.516 2.921 20 0 EFADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc2c1OCO2 ZINC001167959803 1098609724 /nfs/dbraw/zinc/60/97/24/1098609724.db2.gz SINFIRBPTRYSDT-AYHJJNSGSA-N 1 3 328.456 2.953 20 0 EFADHO c1cc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc2c1OCO2 ZINC001167959803 1098609729 /nfs/dbraw/zinc/60/97/29/1098609729.db2.gz SINFIRBPTRYSDT-AYHJJNSGSA-N 1 3 328.456 2.953 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001104809312 1098636469 /nfs/dbraw/zinc/63/64/69/1098636469.db2.gz DHNLCYSAYGNHTO-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001104811901 1098654073 /nfs/dbraw/zinc/65/40/73/1098654073.db2.gz JFJGVLHPFWVJOG-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001270180646 1098770729 /nfs/dbraw/zinc/77/07/29/1098770729.db2.gz LMSVTYVBVFELGB-MRXNPFEDSA-N 1 3 332.492 2.703 20 0 EFADHO CCCC[C@@H](CC)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001270180646 1098770735 /nfs/dbraw/zinc/77/07/35/1098770735.db2.gz LMSVTYVBVFELGB-MRXNPFEDSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCC2(CNCC=C(Cl)Cl)CC2)C1 ZINC001167736552 1098889171 /nfs/dbraw/zinc/88/91/71/1098889171.db2.gz DRUFDWZKOOHWAL-ZDUSSCGKSA-N 1 3 348.318 2.523 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NCCC2(CNCC=C(Cl)Cl)CC2)C1 ZINC001167736552 1098889186 /nfs/dbraw/zinc/88/91/86/1098889186.db2.gz DRUFDWZKOOHWAL-ZDUSSCGKSA-N 1 3 348.318 2.523 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001267971091 1098993656 /nfs/dbraw/zinc/99/36/56/1098993656.db2.gz YXOGKTSGKQMYKY-KOTDBNOLSA-N 1 3 329.488 2.621 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001104936314 1099083288 /nfs/dbraw/zinc/08/32/88/1099083288.db2.gz OAOCQXPLCPRKGV-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001481306372 1099196886 /nfs/dbraw/zinc/19/68/86/1099196886.db2.gz OFWBNPKZQWCJBM-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H](c2ccccc2)[C@H](NC/C=C/Cl)C1 ZINC001211663987 1099293264 /nfs/dbraw/zinc/29/32/64/1099293264.db2.gz KPIYUPSHYFXOIW-UXTUSRMKSA-N 1 3 349.906 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001481339031 1099368950 /nfs/dbraw/zinc/36/89/50/1099368950.db2.gz GXFSGXOTQMULCD-INIZCTEOSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1cccn2c(CNCc3ccc(OCC[NH+](C)C)cc3)cnc12 ZINC001620727311 1099374015 /nfs/dbraw/zinc/37/40/15/1099374015.db2.gz DXPWMPPFDFXEEM-UHFFFAOYSA-N 1 3 338.455 2.873 20 0 EFADHO CN(CC(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)C1CCC1 ZINC001481365802 1099484519 /nfs/dbraw/zinc/48/45/19/1099484519.db2.gz AREXIYWROPRPGN-LJQANCHMSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1CC[NH2+]CC1CC1 ZINC001105058509 1099505550 /nfs/dbraw/zinc/50/55/50/1099505550.db2.gz JSCMXSXOYVFKJV-OXQOHEQNSA-N 1 3 343.515 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001105064340 1099526751 /nfs/dbraw/zinc/52/67/51/1099526751.db2.gz KIUGEANZAGDBRU-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)cc1F)N(C)C(=O)CCC[NH+](C)C ZINC001482324728 1099545936 /nfs/dbraw/zinc/54/59/36/1099545936.db2.gz WZEJMCXMBIFEIM-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535909 1099672925 /nfs/dbraw/zinc/67/29/25/1099672925.db2.gz HMEMAEDQFCGUOC-PDNKVIRKSA-N 1 3 330.476 2.527 20 0 EFADHO CCN1CC[C@@]2(C[N@@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C)C1=O ZINC001167989384 1099703246 /nfs/dbraw/zinc/70/32/46/1099703246.db2.gz ZGQSVPQAOFCYKT-UFOAXRNESA-N 1 3 345.531 2.582 20 0 EFADHO CCN1CC[C@@]2(C[N@H+](C3C[C@H]4CC[C@@H](C3)N4CC3CC3)C[C@@H]2C)C1=O ZINC001167989384 1099703255 /nfs/dbraw/zinc/70/32/55/1099703255.db2.gz ZGQSVPQAOFCYKT-UFOAXRNESA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)C(=O)[C@@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167991470 1099739971 /nfs/dbraw/zinc/73/99/71/1099739971.db2.gz AYDUKUQCQSJXAC-SWDXFRIISA-N 1 3 345.531 2.582 20 0 EFADHO CN(C)C(=O)[C@@H]1CC12CCN(C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167991470 1099739977 /nfs/dbraw/zinc/73/99/77/1099739977.db2.gz AYDUKUQCQSJXAC-SWDXFRIISA-N 1 3 345.531 2.582 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001482351812 1099772782 /nfs/dbraw/zinc/77/27/82/1099772782.db2.gz YKNXDQBFZODTPP-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1ccccc1Cl ZINC001482351812 1099772788 /nfs/dbraw/zinc/77/27/88/1099772788.db2.gz YKNXDQBFZODTPP-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO O=C([C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1)N1CCCC1 ZINC001167996231 1099781937 /nfs/dbraw/zinc/78/19/37/1099781937.db2.gz ZWKRRBRZDQMUNT-GURQWTFNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1)N1CCCC1 ZINC001167996231 1099781949 /nfs/dbraw/zinc/78/19/49/1099781949.db2.gz ZWKRRBRZDQMUNT-GURQWTFNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1)N1CCCC1 ZINC001167996231 1099781958 /nfs/dbraw/zinc/78/19/58/1099781958.db2.gz ZWKRRBRZDQMUNT-GURQWTFNSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1)N1CCCC1 ZINC001167996231 1099781964 /nfs/dbraw/zinc/78/19/64/1099781964.db2.gz ZWKRRBRZDQMUNT-GURQWTFNSA-N 1 3 345.531 2.726 20 0 EFADHO CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536044 1099788611 /nfs/dbraw/zinc/78/86/11/1099788611.db2.gz NHQOHDZDFBNVNB-LPHOPBHVSA-N 1 3 332.492 2.751 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001075785073 1099853356 /nfs/dbraw/zinc/85/33/56/1099853356.db2.gz QOZZENIVUVPHDS-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001075785073 1099853362 /nfs/dbraw/zinc/85/33/62/1099853362.db2.gz QOZZENIVUVPHDS-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211680081 1099860335 /nfs/dbraw/zinc/86/03/35/1099860335.db2.gz GEOVLDQLZZWBPV-AYOQOUSVSA-N 1 3 340.471 2.583 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001203437989 1100024172 /nfs/dbraw/zinc/02/41/72/1100024172.db2.gz YWLYULCIWUBUGN-UHFFFAOYSA-N 1 3 335.467 2.579 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C(N)=O)cc1 ZINC000042907719 1100128951 /nfs/dbraw/zinc/12/89/51/1100128951.db2.gz VWDQNXHRMGAWDU-UHFFFAOYSA-N 1 3 325.456 2.917 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)CC[NH+]1CCCC1 ZINC001270901395 1100183797 /nfs/dbraw/zinc/18/37/97/1100183797.db2.gz UDEUDZLWWYPEBA-QRVBRYPASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC001482435625 1100205656 /nfs/dbraw/zinc/20/56/56/1100205656.db2.gz RKNQXBHONNRAFW-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915799 1100263087 /nfs/dbraw/zinc/26/30/87/1100263087.db2.gz IADHVGUTMFYHMB-QUCCMNQESA-N 1 3 333.520 2.728 20 0 EFADHO C[N@H+]1CCC[C@]2(CCCN(C(=O)[C@H]3CCN3C3CCCCC3)C2)C1 ZINC001270915799 1100263095 /nfs/dbraw/zinc/26/30/95/1100263095.db2.gz IADHVGUTMFYHMB-QUCCMNQESA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1CC([NH2+]CC(=O)N2CCCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168012097 1100354594 /nfs/dbraw/zinc/35/45/94/1100354594.db2.gz VZQODVNETRBKDP-IRXDYDNUSA-N 1 3 329.488 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395583 1100555735 /nfs/dbraw/zinc/55/57/35/1100555735.db2.gz AJNJSCALNPKEEO-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2[N@@H+](CC3CC3)CC23CCC3)CC1 ZINC001105395583 1100555739 /nfs/dbraw/zinc/55/57/39/1100555739.db2.gz AJNJSCALNPKEEO-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@@H+]1CCCF ZINC001087602450 1100581152 /nfs/dbraw/zinc/58/11/52/1100581152.db2.gz QINXSNJAYUKKBK-RCCFBDPRSA-N 1 3 339.499 2.722 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C2CCCC2)CC[N@H+]1CCCF ZINC001087602450 1100581161 /nfs/dbraw/zinc/58/11/61/1100581161.db2.gz QINXSNJAYUKKBK-RCCFBDPRSA-N 1 3 339.499 2.722 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1Cc1csc(C)c1 ZINC001087711939 1100688309 /nfs/dbraw/zinc/68/83/09/1100688309.db2.gz GWLQEIQZQYEYCV-ZWKOTPCHSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(F)cc1 ZINC001087797137 1100780162 /nfs/dbraw/zinc/78/01/62/1100780162.db2.gz ZJTNRZRYCQSDHQ-YTQUADARSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(F)cc1 ZINC001087797137 1100780171 /nfs/dbraw/zinc/78/01/71/1100780171.db2.gz ZJTNRZRYCQSDHQ-YTQUADARSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001087828048 1100829397 /nfs/dbraw/zinc/82/93/97/1100829397.db2.gz XSURUFMLXALCBK-UVRGCKLLSA-N 1 3 341.499 2.621 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1C/C=C/c1ccccc1 ZINC001087828048 1100829407 /nfs/dbraw/zinc/82/94/07/1100829407.db2.gz XSURUFMLXALCBK-UVRGCKLLSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482470922 1100856462 /nfs/dbraw/zinc/85/64/62/1100856462.db2.gz IDLZBMBDLFCYJH-KBPBESRZSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1CC(N2CCC(NC(N)=O)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039659 1101083914 /nfs/dbraw/zinc/08/39/14/1101083914.db2.gz GVXUHJRSMFUKQY-HOTGVXAUSA-N 1 3 344.503 2.561 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1)N1CCCCC1 ZINC001087966749 1101094951 /nfs/dbraw/zinc/09/49/51/1101094951.db2.gz SUKVBALPTAMMEQ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1)N1CCCCC1 ZINC001087966749 1101094956 /nfs/dbraw/zinc/09/49/56/1101094956.db2.gz SUKVBALPTAMMEQ-MOPGFXCFSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993574 1101166490 /nfs/dbraw/zinc/16/64/90/1101166490.db2.gz TZYBLUXBFHILGS-AABGKKOBSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CC1 ZINC001087993574 1101166498 /nfs/dbraw/zinc/16/64/98/1101166498.db2.gz TZYBLUXBFHILGS-AABGKKOBSA-N 1 3 345.531 2.607 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CC1 ZINC001087993398 1101167063 /nfs/dbraw/zinc/16/70/63/1101167063.db2.gz MVDFVQVDTHDQQD-QYZOEREBSA-N 1 3 347.547 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]2C1)C1CC1 ZINC001087993398 1101167068 /nfs/dbraw/zinc/16/70/68/1101167068.db2.gz MVDFVQVDTHDQQD-QYZOEREBSA-N 1 3 347.547 2.543 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087995023 1101168475 /nfs/dbraw/zinc/16/84/75/1101168475.db2.gz OLWQWGIIMPFLPH-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1)C1CCC1 ZINC001087995023 1101168477 /nfs/dbraw/zinc/16/84/77/1101168477.db2.gz OLWQWGIIMPFLPH-MOPGFXCFSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214169 1101289648 /nfs/dbraw/zinc/28/96/48/1101289648.db2.gz NXGYINXIHCIYIG-PXNSSMCTSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1)N1CCCC1 ZINC001271214169 1101289653 /nfs/dbraw/zinc/28/96/53/1101289653.db2.gz NXGYINXIHCIYIG-PXNSSMCTSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)N1CCCC1 ZINC001271213999 1101289675 /nfs/dbraw/zinc/28/96/75/1101289675.db2.gz KPKPYOOJRKHHOO-OKZBNKHCSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)N1CCCC1 ZINC001271213999 1101289684 /nfs/dbraw/zinc/28/96/84/1101289684.db2.gz KPKPYOOJRKHHOO-OKZBNKHCSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)N1CCCC1 ZINC001271213998 1101289890 /nfs/dbraw/zinc/28/98/90/1101289890.db2.gz KPKPYOOJRKHHOO-KURKYZTESA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)N1CCCC1 ZINC001271213998 1101289894 /nfs/dbraw/zinc/28/98/94/1101289894.db2.gz KPKPYOOJRKHHOO-KURKYZTESA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001167385379 1101388418 /nfs/dbraw/zinc/38/84/18/1101388418.db2.gz ALGCYJREWJXSPC-SJORKVTESA-N 1 3 341.515 2.874 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001167385938 1101392810 /nfs/dbraw/zinc/39/28/10/1101392810.db2.gz ZMBMCAXWQTXSKK-SFHVURJKSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208606217 1101400612 /nfs/dbraw/zinc/40/06/12/1101400612.db2.gz FKOQGDUSJDHHRL-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC001208606217 1101400617 /nfs/dbraw/zinc/40/06/17/1101400617.db2.gz FKOQGDUSJDHHRL-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)CN1CCC([NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000067186918 1101496338 /nfs/dbraw/zinc/49/63/38/1101496338.db2.gz NLCNUZPMGOMGGT-UHFFFAOYSA-N 1 3 327.476 2.692 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2cccc(OC)c2OC(C)C)CC1 ZINC000067671468 1101551280 /nfs/dbraw/zinc/55/12/80/1101551280.db2.gz OOFDSSFRKGIQDX-KRWDZBQOSA-N 1 3 349.519 2.598 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000067671723 1101552594 /nfs/dbraw/zinc/55/25/94/1101552594.db2.gz HQHYJLXHGPSILW-CQSZACIVSA-N 1 3 340.309 2.565 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000067671639 1101552730 /nfs/dbraw/zinc/55/27/30/1101552730.db2.gz RJHZMGNTZNACFA-CQSZACIVSA-N 1 3 329.410 2.821 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@@H]2C1 ZINC001088106227 1101555498 /nfs/dbraw/zinc/55/54/98/1101555498.db2.gz RHSKEUPYFZZSTO-SXLOBPIMSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@@H]2C1 ZINC001088106227 1101555506 /nfs/dbraw/zinc/55/55/06/1101555506.db2.gz RHSKEUPYFZZSTO-SXLOBPIMSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001088106009 1101558368 /nfs/dbraw/zinc/55/83/68/1101558368.db2.gz KRFGUESZCOEUNV-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1 ZINC001088106009 1101558381 /nfs/dbraw/zinc/55/83/81/1101558381.db2.gz KRFGUESZCOEUNV-RLLQIKCJSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107272 1101564076 /nfs/dbraw/zinc/56/40/76/1101564076.db2.gz PNWMNJYDIMAELT-KSZLIROESA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107272 1101564093 /nfs/dbraw/zinc/56/40/93/1101564093.db2.gz PNWMNJYDIMAELT-KSZLIROESA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088109563 1101566162 /nfs/dbraw/zinc/56/61/62/1101566162.db2.gz LRBXETQZXLODDR-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)CC[C@@H]2C1)N(C)C ZINC001088109563 1101566168 /nfs/dbraw/zinc/56/61/68/1101566168.db2.gz LRBXETQZXLODDR-AABGKKOBSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088109895 1101568530 /nfs/dbraw/zinc/56/85/30/1101568530.db2.gz DZSQMIUADOPZPK-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088109895 1101568541 /nfs/dbraw/zinc/56/85/41/1101568541.db2.gz DZSQMIUADOPZPK-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109853 1101568697 /nfs/dbraw/zinc/56/86/97/1101568697.db2.gz CIALURJSTKFYBO-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]2C1)N(C)C ZINC001088109853 1101568709 /nfs/dbraw/zinc/56/87/09/1101568709.db2.gz CIALURJSTKFYBO-QYZOEREBSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000069159714 1101684104 /nfs/dbraw/zinc/68/41/04/1101684104.db2.gz RRYVBRSCEDGJTQ-OAHLLOKOSA-N 1 3 337.533 2.533 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2COC[C@@H]2OC)ccc1OC ZINC000840826263 1101754787 /nfs/dbraw/zinc/75/47/87/1101754787.db2.gz JGOWNPGYZSPPSM-YJLNNSPDSA-N 1 3 336.476 2.601 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3C2)c1 ZINC001088210571 1101882352 /nfs/dbraw/zinc/88/23/52/1101882352.db2.gz QJCLTRJVHXUORT-UXHICEINSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](CC4CC4)CC[C@@H]3C2)c1 ZINC001088210571 1101882364 /nfs/dbraw/zinc/88/23/64/1101882364.db2.gz QJCLTRJVHXUORT-UXHICEINSA-N 1 3 341.499 2.552 20 0 EFADHO O=C1CC2(CN1CC1CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001209453433 1101906649 /nfs/dbraw/zinc/90/66/49/1101906649.db2.gz ICWXMXLXUSCQKV-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccccc2)C1)N(C)C ZINC001104348374 1101995865 /nfs/dbraw/zinc/99/58/65/1101995865.db2.gz FHDOPHUWKVBWGN-MISYRCLQSA-N 1 3 345.531 2.644 20 0 EFADHO C[NH+]1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)N1CCCCC1)CC2 ZINC001271513190 1102046124 /nfs/dbraw/zinc/04/61/24/1102046124.db2.gz PLJFNRGDUQIBRN-IBGZPJMESA-N 1 3 341.499 2.768 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](C)C1 ZINC001271521482 1102060237 /nfs/dbraw/zinc/06/02/37/1102060237.db2.gz VQWQYLYPCVWKLX-HCXYKTFWSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001271521482 1102060249 /nfs/dbraw/zinc/06/02/49/1102060249.db2.gz VQWQYLYPCVWKLX-HCXYKTFWSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001167225688 1102085892 /nfs/dbraw/zinc/08/58/92/1102085892.db2.gz XHWVHFXWIAOICG-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1)c1ccccc1 ZINC001167232713 1102097667 /nfs/dbraw/zinc/09/76/67/1102097667.db2.gz NLQGASMNPCQVJZ-ZWKOTPCHSA-N 1 3 343.515 2.966 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC001167232506 1102097807 /nfs/dbraw/zinc/09/78/07/1102097807.db2.gz FPSHDYJFIGXJGU-MRXNPFEDSA-N 1 3 347.478 2.544 20 0 EFADHO Cc1ccc(C[NH2+]CC2(CCNC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001167232607 1102099184 /nfs/dbraw/zinc/09/91/84/1102099184.db2.gz JWXWLQJZDOAJCQ-GOSISDBHSA-N 1 3 343.515 2.713 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCc3cccs3)CC2)C1 ZINC001167232739 1102100228 /nfs/dbraw/zinc/10/02/28/1102100228.db2.gz OMPGWIZTIFEHDR-MRXNPFEDSA-N 1 3 349.544 2.509 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CCCCC3)CC2)C1 ZINC001167232734 1102100991 /nfs/dbraw/zinc/10/09/91/1102100991.db2.gz OLDFNZXIBKQFOD-QGZVFWFLSA-N 1 3 335.536 2.785 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC001167250608 1102141985 /nfs/dbraw/zinc/14/19/85/1102141985.db2.gz DXKRQOYIJACRQY-AEFFLSMTSA-N 1 3 331.504 2.964 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]CCc2ccc(C)cc2)CC1)N(C)C ZINC001167260764 1102185423 /nfs/dbraw/zinc/18/54/23/1102185423.db2.gz IUHULAWATJCIMS-IBGZPJMESA-N 1 3 345.531 2.754 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001167260803 1102185984 /nfs/dbraw/zinc/18/59/84/1102185984.db2.gz KRLREDXWWYYAEK-MOPGFXCFSA-N 1 3 343.515 2.890 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001104362699 1102211997 /nfs/dbraw/zinc/21/19/97/1102211997.db2.gz FLEAWDHMLGTZEO-IEBWSBKVSA-N 1 3 345.531 2.991 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001648970679 1102253528 /nfs/dbraw/zinc/25/35/28/1102253528.db2.gz SXHOBILEVAKHQW-HOCLYGCPSA-N 1 3 332.492 2.895 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cn[nH]n4)CC3)C2)cc1 ZINC001203201894 1102272326 /nfs/dbraw/zinc/27/23/26/1102272326.db2.gz RXJBBYUVCMSYSU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cn[nH]n4)CC3)C2)cc1 ZINC001203201894 1102272338 /nfs/dbraw/zinc/27/23/38/1102272338.db2.gz RXJBBYUVCMSYSU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4c[nH]nn4)CC3)C2)cc1 ZINC001203201894 1102272351 /nfs/dbraw/zinc/27/23/51/1102272351.db2.gz RXJBBYUVCMSYSU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4c[nH]nn4)CC3)C2)cc1 ZINC001203201894 1102272364 /nfs/dbraw/zinc/27/23/64/1102272364.db2.gz RXJBBYUVCMSYSU-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001167480623 1102300171 /nfs/dbraw/zinc/30/01/71/1102300171.db2.gz NTBDBRXMVRZZSU-QGZVFWFLSA-N 1 3 331.504 2.966 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@H](C)CC(C)C)CC1 ZINC001167480862 1102300797 /nfs/dbraw/zinc/30/07/97/1102300797.db2.gz UTJFTXJPHCTOIZ-QGZVFWFLSA-N 1 3 325.541 2.887 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1 ZINC001167480636 1102301031 /nfs/dbraw/zinc/30/10/31/1102301031.db2.gz OCQWFZOGNBGBRD-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001167480440 1102301319 /nfs/dbraw/zinc/30/13/19/1102301319.db2.gz FSSOQVGJLRTFDF-FGTMMUONSA-N 1 3 335.536 2.641 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167481075 1102311203 /nfs/dbraw/zinc/31/12/03/1102311203.db2.gz YZMZGGKRBPPLFA-UHFFFAOYSA-N 1 3 335.536 2.785 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001167487061 1102382790 /nfs/dbraw/zinc/38/27/90/1102382790.db2.gz YFLRLURPIWRQNB-FLIBITNWSA-N 1 3 343.515 2.918 20 0 EFADHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OC(F)F ZINC000075780625 1102572464 /nfs/dbraw/zinc/57/24/64/1102572464.db2.gz XUAZQCRMOWZARG-CYBMUJFWSA-N 1 3 326.387 2.871 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000076396796 1102730508 /nfs/dbraw/zinc/73/05/08/1102730508.db2.gz SOAQBRLPNJJRPF-CQSZACIVSA-N 1 3 345.409 2.701 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC000970800730 1102785906 /nfs/dbraw/zinc/78/59/06/1102785906.db2.gz RKXNBYATMJWWPA-RTBURBONSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C)C1 ZINC001271817333 1102787628 /nfs/dbraw/zinc/78/76/28/1102787628.db2.gz VQAXALBGWXBPAX-AABGKKOBSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C)C1 ZINC001271817333 1102787637 /nfs/dbraw/zinc/78/76/37/1102787637.db2.gz VQAXALBGWXBPAX-AABGKKOBSA-N 1 3 341.499 2.512 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001210745229 1102808946 /nfs/dbraw/zinc/80/89/46/1102808946.db2.gz ZRZVKSMYZSGVGY-ZDUSSCGKSA-N 1 3 336.307 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001210789633 1102854754 /nfs/dbraw/zinc/85/47/54/1102854754.db2.gz PJNQJNPXGJIIFV-GOSISDBHSA-N 1 3 331.504 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001104292264 1102864678 /nfs/dbraw/zinc/86/46/78/1102864678.db2.gz RGHRRHDJSYCUNZ-LZQZEXGQSA-N 1 3 349.563 2.837 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104292413 1102865439 /nfs/dbraw/zinc/86/54/39/1102865439.db2.gz ZLIDBBLQMXLERW-BHIYHBOVSA-N 1 3 337.552 2.981 20 0 EFADHO CC1CC(C[NH2+]CC[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1 ZINC001104294222 1102876144 /nfs/dbraw/zinc/87/61/44/1102876144.db2.gz DGZKAGMTMODMRD-GPQLOAJWSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1)C1CC1 ZINC001088325911 1102927658 /nfs/dbraw/zinc/92/76/58/1102927658.db2.gz BMCGUAJZAYVXKV-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088326134 1102928184 /nfs/dbraw/zinc/92/81/84/1102928184.db2.gz IANCHYSQOXOIJD-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCCCC[C@@H](NCCF)C1 ZINC001088326134 1102928190 /nfs/dbraw/zinc/92/81/90/1102928190.db2.gz IANCHYSQOXOIJD-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCc2ccccc2)C1)N(C)C ZINC001088334928 1102989821 /nfs/dbraw/zinc/98/98/21/1102989821.db2.gz SIUPUXUKAXKGAY-WOJBJXKFSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CC(C)C1 ZINC001409454327 1103084284 /nfs/dbraw/zinc/08/42/84/1103084284.db2.gz QXHVLNLZXJTLHU-ABHNRTSZSA-N 1 3 337.552 2.981 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001271932104 1103100767 /nfs/dbraw/zinc/10/07/67/1103100767.db2.gz UCPFPCJTTUNVKP-GOSISDBHSA-N 1 3 333.520 2.728 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168372020 1103223337 /nfs/dbraw/zinc/22/33/37/1103223337.db2.gz RRJWHUAQSMBMSL-SZMVWBNQSA-N 1 3 349.519 2.706 20 0 EFADHO CC(C)[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CCC(F)(F)F ZINC001482553374 1103252334 /nfs/dbraw/zinc/25/23/34/1103252334.db2.gz LMOGQGCWLHIZGO-CYBMUJFWSA-N 1 3 339.446 2.647 20 0 EFADHO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)N3CCCCCC3)[C@@H]2C1 ZINC001271975795 1103327308 /nfs/dbraw/zinc/32/73/08/1103327308.db2.gz JRTFNAAZDVZUTD-XUVXKRRUSA-N 1 3 341.499 2.766 20 0 EFADHO C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](c3ccccc3)N3CCCCCC3)[C@@H]2C1 ZINC001271975795 1103327324 /nfs/dbraw/zinc/32/73/24/1103327324.db2.gz JRTFNAAZDVZUTD-XUVXKRRUSA-N 1 3 341.499 2.766 20 0 EFADHO CC(C)[NH2+][C@H]1CCCCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001088381361 1103333147 /nfs/dbraw/zinc/33/31/47/1103333147.db2.gz CLIYEQKCUZPOIM-QFBILLFUSA-N 1 3 341.515 2.968 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]Cc3ccsc3)C2)C1 ZINC001088382378 1103342377 /nfs/dbraw/zinc/34/23/77/1103342377.db2.gz ZTPZEQHIRZLPNT-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001088390544 1103380711 /nfs/dbraw/zinc/38/07/11/1103380711.db2.gz PRJMPYFWDVSIJT-SFHVURJKSA-N 1 3 340.471 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001483348114 1103449529 /nfs/dbraw/zinc/44/95/29/1103449529.db2.gz STRSDDSFGPZIDM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001483348114 1103449532 /nfs/dbraw/zinc/44/95/32/1103449532.db2.gz STRSDDSFGPZIDM-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CN(CC(C)(C)C[NH2+]Cc1cccc(Cl)c1)C(=O)Cc1c[nH]cn1 ZINC001409486806 1103485053 /nfs/dbraw/zinc/48/50/53/1103485053.db2.gz SSJAQBNPNIIOJX-UHFFFAOYSA-N 1 3 348.878 2.880 20 0 EFADHO C[C@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001483380415 1103547206 /nfs/dbraw/zinc/54/72/06/1103547206.db2.gz IMNFXZVZEPWQEU-CQSZACIVSA-N 1 3 337.895 2.618 20 0 EFADHO Cc1ccc(CN(C)C[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1F ZINC001483421645 1103673614 /nfs/dbraw/zinc/67/36/14/1103673614.db2.gz TWYMHBVYSGLNQJ-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001105427452 1103751676 /nfs/dbraw/zinc/75/16/76/1103751676.db2.gz MQGZOYQTNFQCLL-SBHAEUEKSA-N 1 3 343.515 2.543 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCN1C ZINC001483485069 1103806047 /nfs/dbraw/zinc/80/60/47/1103806047.db2.gz XNPVOOZBIUIOKK-LJQANCHMSA-N 1 3 331.504 2.842 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)NC(=O)CN(C)C1CCC1 ZINC001483235445 1103859584 /nfs/dbraw/zinc/85/95/84/1103859584.db2.gz QJXRUDOKYJJDLG-KBPBESRZSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC[NH2+]CCCCc1ccccc1 ZINC001127066051 1103958063 /nfs/dbraw/zinc/95/80/63/1103958063.db2.gz IIDBWXWMDGRHLO-LJQANCHMSA-N 1 3 331.504 2.588 20 0 EFADHO C[C@H](NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001483583096 1104005834 /nfs/dbraw/zinc/00/58/34/1104005834.db2.gz IWEUGKSSWKFBRA-KBXCAEBGSA-N 1 3 347.478 2.713 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@](C[NH2+]CC2CC2)(c2ccccc2)C1 ZINC001105443076 1104159025 /nfs/dbraw/zinc/15/90/25/1104159025.db2.gz WJOIBTDZGDQRGO-TYKWCNGQSA-N 1 3 343.515 2.544 20 0 EFADHO c1ccc(CN2C[C@@H]3C[NH+](C4CCN(CC5CC5)CC4)C[C@H]3C2)cc1 ZINC001168391003 1104184772 /nfs/dbraw/zinc/18/47/72/1104184772.db2.gz KCKLONGLLIHJPE-NHCUHLMSSA-N 1 3 339.527 2.925 20 0 EFADHO c1ccc(CN2C[C@@H]3C[C@H]2C[N@H+]3C2CCN(CC3CC3)CC2)cc1 ZINC001168393121 1104194194 /nfs/dbraw/zinc/19/41/94/1104194194.db2.gz WGKNVPROFNAFKC-SFTDATJTSA-N 1 3 325.500 2.820 20 0 EFADHO c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C2CCN(CC3CC3)CC2)cc1 ZINC001168393121 1104194198 /nfs/dbraw/zinc/19/41/98/1104194198.db2.gz WGKNVPROFNAFKC-SFTDATJTSA-N 1 3 325.500 2.820 20 0 EFADHO Cc1cc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)ncn1 ZINC001168395125 1104199618 /nfs/dbraw/zinc/19/96/18/1104199618.db2.gz MHPPKVNVBFSHOH-UHFFFAOYSA-N 1 3 330.476 2.503 20 0 EFADHO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000906587747 1104310205 /nfs/dbraw/zinc/31/02/05/1104310205.db2.gz NKUAPGLDFRPILX-HUYLIWGRSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000906587747 1104310215 /nfs/dbraw/zinc/31/02/15/1104310215.db2.gz NKUAPGLDFRPILX-HUYLIWGRSA-N 1 3 331.479 2.639 20 0 EFADHO CC(C)[NH2+]CC(C)(C)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001101574715 1104359888 /nfs/dbraw/zinc/35/98/88/1104359888.db2.gz AEDDGSBYEMSRKF-UHFFFAOYSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)C/C=C/c1ccccc1 ZINC001409591376 1104384947 /nfs/dbraw/zinc/38/49/47/1104384947.db2.gz OXYJCRNQMCIGLM-FWVUHSSSSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)C/C=C/c1ccccc1 ZINC001409591376 1104384959 /nfs/dbraw/zinc/38/49/59/1104384959.db2.gz OXYJCRNQMCIGLM-FWVUHSSSSA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001409644465 1104581178 /nfs/dbraw/zinc/58/11/78/1104581178.db2.gz NTKAIDDNZAWTGJ-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C(F)F)c1)N(C)C ZINC001409644465 1104581189 /nfs/dbraw/zinc/58/11/89/1104581189.db2.gz NTKAIDDNZAWTGJ-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CC/C=C\CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001665465615 1104699832 /nfs/dbraw/zinc/69/98/32/1104699832.db2.gz NRZRWHTWCBOESS-VKCQWTKXSA-N 1 3 333.520 2.940 20 0 EFADHO CC/C=C\CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001665465615 1104699839 /nfs/dbraw/zinc/69/98/39/1104699839.db2.gz NRZRWHTWCBOESS-VKCQWTKXSA-N 1 3 333.520 2.940 20 0 EFADHO CCc1ccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC001482633307 1104700086 /nfs/dbraw/zinc/70/00/86/1104700086.db2.gz HCXBFPFTBQNZSS-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001482643454 1104723193 /nfs/dbraw/zinc/72/31/93/1104723193.db2.gz CVNMAPQBEQJUJP-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC001482643454 1104723198 /nfs/dbraw/zinc/72/31/98/1104723198.db2.gz CVNMAPQBEQJUJP-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2ccc(F)cc2)CCC1 ZINC001482676995 1104862364 /nfs/dbraw/zinc/86/23/64/1104862364.db2.gz FQDCFNNMUAUCIJ-WMZOPIPTSA-N 1 3 347.478 2.685 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001482691738 1104936553 /nfs/dbraw/zinc/93/65/53/1104936553.db2.gz DPQPBNCYMDNJPN-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C/Cl ZINC001482691738 1104936555 /nfs/dbraw/zinc/93/65/55/1104936555.db2.gz DPQPBNCYMDNJPN-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO [NH3+]CC1(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCCC1 ZINC000261537298 1105233312 /nfs/dbraw/zinc/23/33/12/1105233312.db2.gz JDNANBUFPNYHJL-SFHVURJKSA-N 1 3 329.488 2.676 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950574 1105247189 /nfs/dbraw/zinc/24/71/89/1105247189.db2.gz XFTKATHCQBVMDY-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1F)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482950574 1105247194 /nfs/dbraw/zinc/24/71/94/1105247194.db2.gz XFTKATHCQBVMDY-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)CN1CC[C@@H](C)C1 ZINC001482950511 1105247846 /nfs/dbraw/zinc/24/78/46/1105247846.db2.gz UPJFOLHJLQFYJT-XLIONFOSSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cccc2cccnc21)N(C)C ZINC001668619738 1105333347 /nfs/dbraw/zinc/33/33/47/1105333347.db2.gz SQKSJIQYTOPMGE-SFHVURJKSA-N 1 3 342.487 2.513 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988955993 1105399027 /nfs/dbraw/zinc/39/90/27/1105399027.db2.gz NIKTWCLWUISBRA-VQIMIIECSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988955772 1105399501 /nfs/dbraw/zinc/39/95/01/1105399501.db2.gz LDQJZMCFJDYWBI-AEFFLSMTSA-N 1 3 329.488 2.558 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988958004 1105400977 /nfs/dbraw/zinc/40/09/77/1105400977.db2.gz HOAIZFWKWLKACZ-VQIMIIECSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)c1 ZINC000988964684 1105408563 /nfs/dbraw/zinc/40/85/63/1105408563.db2.gz DKDGBGCSEBLPQN-IEBWSBKVSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000988964233 1105408688 /nfs/dbraw/zinc/40/86/88/1105408688.db2.gz AIYNMNUUTULJGY-AEFFLSMTSA-N 1 3 333.520 2.940 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000988971102 1105413660 /nfs/dbraw/zinc/41/36/60/1105413660.db2.gz ZDVQYCZMSINXPY-MJGOQNOKSA-N 1 3 343.515 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1)N(C)C ZINC001030019510 1105568124 /nfs/dbraw/zinc/56/81/24/1105568124.db2.gz GEUPSBNINFWMFO-HHXXYDBFSA-N 1 3 347.503 2.677 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)N(C)C ZINC001030019531 1105568724 /nfs/dbraw/zinc/56/87/24/1105568724.db2.gz QPUXSHLYYNRTPF-YTQUADARSA-N 1 3 331.504 2.977 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H]1c1ccccc1 ZINC000897576081 1105770169 /nfs/dbraw/zinc/77/01/69/1105770169.db2.gz CUPAOUIBAITFFW-AABGKKOBSA-N 1 3 341.499 2.813 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCN2C2CC2)[C@@H]1c1ccccc1 ZINC000897576081 1105770175 /nfs/dbraw/zinc/77/01/75/1105770175.db2.gz CUPAOUIBAITFFW-AABGKKOBSA-N 1 3 341.499 2.813 20 0 EFADHO CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CN2CC[C@@H](C)C2)CCC1 ZINC001105563664 1105943496 /nfs/dbraw/zinc/94/34/96/1105943496.db2.gz QQWRPHUMGQAART-MSOLQXFVSA-N 1 3 335.536 2.879 20 0 EFADHO CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566206 1105955469 /nfs/dbraw/zinc/95/54/69/1105955469.db2.gz GPJAWODIPPUNSJ-KRWDZBQOSA-N 1 3 332.492 2.893 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105566446 1105955631 /nfs/dbraw/zinc/95/56/31/1105955631.db2.gz LWTWWHBBRRRYNC-SFHVURJKSA-N 1 3 344.503 2.893 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C1(C[NH2+]CCC2CC2)CCC1 ZINC001105566445 1105955779 /nfs/dbraw/zinc/95/57/79/1105955779.db2.gz LWTWWHBBRRRYNC-GOSISDBHSA-N 1 3 344.503 2.893 20 0 EFADHO CC(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)CCC1 ZINC001105566410 1105955798 /nfs/dbraw/zinc/95/57/98/1105955798.db2.gz KZZKWMHULQQZBI-QGZVFWFLSA-N 1 3 332.492 2.749 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000897792287 1106098199 /nfs/dbraw/zinc/09/81/99/1106098199.db2.gz KAAYYIRBBLBROB-MAUKXSAKSA-N 1 3 335.492 2.579 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000897792287 1106098203 /nfs/dbraw/zinc/09/82/03/1106098203.db2.gz KAAYYIRBBLBROB-MAUKXSAKSA-N 1 3 335.492 2.579 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC000989449305 1106183707 /nfs/dbraw/zinc/18/37/07/1106183707.db2.gz GLVGVKMXOZUEQA-YOEHRIQHSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450001 1106193916 /nfs/dbraw/zinc/19/39/16/1106193916.db2.gz LXPGZHORBKEDDN-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116323 1106236193 /nfs/dbraw/zinc/23/61/93/1106236193.db2.gz OSRGUCWJRLYFOL-NZSAHSFTSA-N 1 3 336.520 2.957 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCOC34CCOCC4)CC2)C1 ZINC000898116323 1106236197 /nfs/dbraw/zinc/23/61/97/1106236197.db2.gz OSRGUCWJRLYFOL-NZSAHSFTSA-N 1 3 336.520 2.957 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000898099456 1106245267 /nfs/dbraw/zinc/24/52/67/1106245267.db2.gz QXAQVAGTZSOWMX-RTBURBONSA-N 1 3 329.488 2.624 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000898099456 1106245269 /nfs/dbraw/zinc/24/52/69/1106245269.db2.gz QXAQVAGTZSOWMX-RTBURBONSA-N 1 3 329.488 2.624 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cc1C ZINC000989481581 1106358411 /nfs/dbraw/zinc/35/84/11/1106358411.db2.gz YJFYVMGBCUYNGJ-HXUWFJFHSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cc1C ZINC000989481581 1106358417 /nfs/dbraw/zinc/35/84/17/1106358417.db2.gz YJFYVMGBCUYNGJ-HXUWFJFHSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989491408 1106365680 /nfs/dbraw/zinc/36/56/80/1106365680.db2.gz GHWPERCTNAULSO-WMLDXEAASA-N 1 3 330.476 2.502 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000989492176 1106366115 /nfs/dbraw/zinc/36/61/15/1106366115.db2.gz JXEIXPJAXDSPMK-SFHVURJKSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989492770 1106367299 /nfs/dbraw/zinc/36/72/99/1106367299.db2.gz OWLWISJKKDEWQZ-YJBOKZPZSA-N 1 3 332.492 2.892 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604866 1106480860 /nfs/dbraw/zinc/48/08/60/1106480860.db2.gz GCBUDXKZVGZDEL-AEFFLSMTSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604908 1106480976 /nfs/dbraw/zinc/48/09/76/1106480976.db2.gz GVEQVKFKVAMKJC-QFBILLFUSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606633 1106481448 /nfs/dbraw/zinc/48/14/48/1106481448.db2.gz SVVNQQCSNXFMRR-ICSRJNTNSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989606872 1106482342 /nfs/dbraw/zinc/48/23/42/1106482342.db2.gz WIOZSHZSQVKVDQ-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000989607035 1106482877 /nfs/dbraw/zinc/48/28/77/1106482877.db2.gz YRMGBYSLEVZMJY-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241625 1106492320 /nfs/dbraw/zinc/49/23/20/1106492320.db2.gz QDHWCIPRZJSYBW-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241625 1106492321 /nfs/dbraw/zinc/49/23/21/1106492321.db2.gz QDHWCIPRZJSYBW-QFBILLFUSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2Cl)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989682229 1106542635 /nfs/dbraw/zinc/54/26/35/1106542635.db2.gz HWKIUEMMKYXELD-GDBMZVCRSA-N 1 3 347.890 2.515 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000989728583 1106601296 /nfs/dbraw/zinc/60/12/96/1106601296.db2.gz ORODIRVNTKKRIL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000989728583 1106601301 /nfs/dbraw/zinc/60/13/01/1106601301.db2.gz ORODIRVNTKKRIL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(CC2=CCCCC2)CC1 ZINC000989728518 1106601507 /nfs/dbraw/zinc/60/15/07/1106601507.db2.gz MOSZXHVHSNDPHT-ROUUACIJSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000989736618 1106612976 /nfs/dbraw/zinc/61/29/76/1106612976.db2.gz AHUDNTCHQWBPHX-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000989736618 1106612980 /nfs/dbraw/zinc/61/29/80/1106612980.db2.gz AHUDNTCHQWBPHX-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO C[NH+](C)C1CCC(N2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001168319468 1106677607 /nfs/dbraw/zinc/67/76/07/1106677607.db2.gz UJSZCZMXQQICLG-GQGLESIBSA-N 1 3 337.508 2.943 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001168321139 1106706752 /nfs/dbraw/zinc/70/67/52/1106706752.db2.gz YSFSDHKRZFQJLD-YFHOEESVSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCc2cccs2)CC1)N(C)C ZINC001677624937 1106789331 /nfs/dbraw/zinc/78/93/31/1106789331.db2.gz YDACPWDTXZPBSC-SFHVURJKSA-N 1 3 349.544 2.625 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](CCc2cccs2)CC1)N(C)C ZINC001677624937 1106789342 /nfs/dbraw/zinc/78/93/42/1106789342.db2.gz YDACPWDTXZPBSC-SFHVURJKSA-N 1 3 349.544 2.625 20 0 EFADHO Fc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001168416173 1106849100 /nfs/dbraw/zinc/84/91/00/1106849100.db2.gz HACSUHSRIHDERV-VAMGGRTRSA-N 1 3 332.463 2.916 20 0 EFADHO CON1CCC([NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000323239400 1107144513 /nfs/dbraw/zinc/14/45/13/1107144513.db2.gz DCIGTSUELIJTIE-LJQANCHMSA-N 1 3 331.504 2.904 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC(C)C2)CC1 ZINC001168335260 1107158330 /nfs/dbraw/zinc/15/83/30/1107158330.db2.gz FEMGIMVGTWRLHC-ABHNRTSZSA-N 1 3 335.536 2.783 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060374 1107376966 /nfs/dbraw/zinc/37/69/66/1107376966.db2.gz IDNLZEPHQUZNNW-MDZRGWNJSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CN(C)C)[C@H]1C ZINC001089060374 1107376980 /nfs/dbraw/zinc/37/69/80/1107376980.db2.gz IDNLZEPHQUZNNW-MDZRGWNJSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001168344975 1107377582 /nfs/dbraw/zinc/37/75/82/1107377582.db2.gz IHFCRCOLOHPLEY-OAHLLOKOSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1F ZINC000990243241 1107552188 /nfs/dbraw/zinc/55/21/88/1107552188.db2.gz CTLGIDQFAXDPPX-RDTXWAMCSA-N 1 3 333.451 2.562 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000990276412 1107588280 /nfs/dbraw/zinc/58/82/80/1107588280.db2.gz IWIORSCOTVGNEM-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@](C)(NC2CC[NH+](CC3CC3)CC2)C1 ZINC001168351163 1107590781 /nfs/dbraw/zinc/59/07/81/1107590781.db2.gz JPMROVLFCTZPPM-IBGZPJMESA-N 1 3 337.508 2.850 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000990277530 1107591153 /nfs/dbraw/zinc/59/11/53/1107591153.db2.gz PFGQJAKRVYJIGR-AWEZNQCLSA-N 1 3 341.908 2.576 20 0 EFADHO C[C@@H]1CCN(C[C@]2(C)CCC[NH2+]C2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000904371529 1107866338 /nfs/dbraw/zinc/86/63/38/1107866338.db2.gz PNJCAXQSFRZCCL-JTDSTZFVSA-N 1 3 339.524 2.859 20 0 EFADHO CC(C)(C)CC[C@H](N)C[NH2+]CCNC(=O)c1ccccc1Cl ZINC000904366871 1107873533 /nfs/dbraw/zinc/87/35/33/1107873533.db2.gz RXSMIRLRRZSEMF-ZDUSSCGKSA-N 1 3 325.884 2.813 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099131116 1107903329 /nfs/dbraw/zinc/90/33/29/1107903329.db2.gz YEMWBLNDANWGKY-OAHLLOKOSA-N 1 3 329.504 2.683 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099131116 1107903336 /nfs/dbraw/zinc/90/33/36/1107903336.db2.gz YEMWBLNDANWGKY-OAHLLOKOSA-N 1 3 329.504 2.683 20 0 EFADHO Cc1cc(C)cc(C2CC[NH+](C[C@@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000904473256 1107962828 /nfs/dbraw/zinc/96/28/28/1107962828.db2.gz QRVCSKPRISZVER-SFHVURJKSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1csc2ccccc21 ZINC000904484819 1107970213 /nfs/dbraw/zinc/97/02/13/1107970213.db2.gz OYMZQSAJNPDAIN-UONOGXRCSA-N 1 3 331.485 2.749 20 0 EFADHO CC[NH+](CC)CCOc1cccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)c1 ZINC000904614696 1108064715 /nfs/dbraw/zinc/06/47/15/1108064715.db2.gz GNLFZHPZBFAMAA-HOTGVXAUSA-N 1 3 348.491 2.621 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001089226321 1108081443 /nfs/dbraw/zinc/08/14/43/1108081443.db2.gz FBLXFKZDIOYZGT-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001089226321 1108081456 /nfs/dbraw/zinc/08/14/56/1108081456.db2.gz FBLXFKZDIOYZGT-QUCCMNQESA-N 1 3 343.515 2.984 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001089225912 1108084799 /nfs/dbraw/zinc/08/47/99/1108084799.db2.gz BHKVSXXQJHKYKY-LPHOPBHVSA-N 1 3 341.515 2.920 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001089225912 1108084812 /nfs/dbraw/zinc/08/48/12/1108084812.db2.gz BHKVSXXQJHKYKY-LPHOPBHVSA-N 1 3 341.515 2.920 20 0 EFADHO [NH3+]Cc1ccccc1NC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000904653115 1108086784 /nfs/dbraw/zinc/08/67/84/1108086784.db2.gz GPTJCCAKNBOEKX-GOSISDBHSA-N 1 3 338.455 2.931 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001089227023 1108088107 /nfs/dbraw/zinc/08/81/07/1108088107.db2.gz PHFNIQLQXVWASZ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001089227023 1108088125 /nfs/dbraw/zinc/08/81/25/1108088125.db2.gz PHFNIQLQXVWASZ-MAUKXSAKSA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@@H]2c1ccccc1 ZINC001272413263 1108220472 /nfs/dbraw/zinc/22/04/72/1108220472.db2.gz SMKAXQOGJODJIS-LJQANCHMSA-N 1 3 343.515 2.870 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272414440 1108226845 /nfs/dbraw/zinc/22/68/45/1108226845.db2.gz HLECTXPXKKKUFP-GUDVDZBRSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001272414440 1108226852 /nfs/dbraw/zinc/22/68/52/1108226852.db2.gz HLECTXPXKKKUFP-GUDVDZBRSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421706 1108250370 /nfs/dbraw/zinc/25/03/70/1108250370.db2.gz OWHUSQWAUBHHJU-OXJNMPFZSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421706 1108250377 /nfs/dbraw/zinc/25/03/77/1108250377.db2.gz OWHUSQWAUBHHJU-OXJNMPFZSA-N 1 3 329.488 2.584 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272429379 1108278712 /nfs/dbraw/zinc/27/87/12/1108278712.db2.gz CTJMGNFNMHCPHY-QZTJIDSGSA-N 1 3 349.906 2.775 20 0 EFADHO CCC[C@H](C)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430997 1108283473 /nfs/dbraw/zinc/28/34/73/1108283473.db2.gz JCQSPASLVFXWGB-UWJYYQICSA-N 1 3 343.515 2.975 20 0 EFADHO CCC[C@H](C)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272430997 1108283480 /nfs/dbraw/zinc/28/34/80/1108283480.db2.gz JCQSPASLVFXWGB-UWJYYQICSA-N 1 3 343.515 2.975 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393408 1108341183 /nfs/dbraw/zinc/34/11/83/1108341183.db2.gz BNZGCBYZGWSQTD-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001040393408 1108341197 /nfs/dbraw/zinc/34/11/97/1108341197.db2.gz BNZGCBYZGWSQTD-AZUAARDMSA-N 1 3 333.520 2.609 20 0 EFADHO C[N@H+](CCCNC[C@@H](O)CC1(O)CCCCC1)Cc1ccccc1 ZINC000905022594 1108358192 /nfs/dbraw/zinc/35/81/92/1108358192.db2.gz APKBVGVPTQAMHN-IBGZPJMESA-N 1 3 334.504 2.544 20 0 EFADHO C[N@@H+](CCCNC[C@@H](O)CC1(O)CCCCC1)Cc1ccccc1 ZINC000905022594 1108358207 /nfs/dbraw/zinc/35/82/07/1108358207.db2.gz APKBVGVPTQAMHN-IBGZPJMESA-N 1 3 334.504 2.544 20 0 EFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)CC1(O)CCCCC1 ZINC000905026929 1108360461 /nfs/dbraw/zinc/36/04/61/1108360461.db2.gz ORRLMHVYIGZMLZ-FQEVSTJZSA-N 1 3 346.515 2.818 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071133 1108395143 /nfs/dbraw/zinc/39/51/43/1108395143.db2.gz OGUPCBAEZQAKHE-PMACEKPBSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071133 1108395157 /nfs/dbraw/zinc/39/51/57/1108395157.db2.gz OGUPCBAEZQAKHE-PMACEKPBSA-N 1 3 334.504 2.664 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)CCOCc2ccccc2)C1 ZINC000905071133 1108395170 /nfs/dbraw/zinc/39/51/70/1108395170.db2.gz OGUPCBAEZQAKHE-PMACEKPBSA-N 1 3 334.504 2.664 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272466611 1108415059 /nfs/dbraw/zinc/41/50/59/1108415059.db2.gz INZBOULYNJZZNC-FPOVZHCZSA-N 1 3 343.515 2.666 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)C(=O)N(CCN(C)C)C[C@H]2c1ccccc1 ZINC001272466611 1108415065 /nfs/dbraw/zinc/41/50/65/1108415065.db2.gz INZBOULYNJZZNC-FPOVZHCZSA-N 1 3 343.515 2.666 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272466615 1108415489 /nfs/dbraw/zinc/41/54/89/1108415489.db2.gz INZBOULYNJZZNC-TZIWHRDSSA-N 1 3 343.515 2.666 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)C(=O)N(CCN(C)C)C[C@@H]2c1ccccc1 ZINC001272466615 1108415495 /nfs/dbraw/zinc/41/54/95/1108415495.db2.gz INZBOULYNJZZNC-TZIWHRDSSA-N 1 3 343.515 2.666 20 0 EFADHO CCCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272470139 1108422889 /nfs/dbraw/zinc/42/28/89/1108422889.db2.gz FNHLFIWWOYNAMR-FQEVSTJZSA-N 1 3 329.488 2.729 20 0 EFADHO CCCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272470139 1108422895 /nfs/dbraw/zinc/42/28/95/1108422895.db2.gz FNHLFIWWOYNAMR-FQEVSTJZSA-N 1 3 329.488 2.729 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@](C)(O)C(F)F ZINC000905165701 1108485685 /nfs/dbraw/zinc/48/56/85/1108485685.db2.gz DZCHEKUFEBYCER-YQYZPQCESA-N 1 3 326.431 2.749 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@](C)(O)C(F)F ZINC000905165701 1108485691 /nfs/dbraw/zinc/48/56/91/1108485691.db2.gz DZCHEKUFEBYCER-YQYZPQCESA-N 1 3 326.431 2.749 20 0 EFADHO CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134309 1108561339 /nfs/dbraw/zinc/56/13/39/1108561339.db2.gz ZUERMUTXRLPCAE-BRWVUGGUSA-N 1 3 341.515 2.683 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001088769150 1108728600 /nfs/dbraw/zinc/72/86/00/1108728600.db2.gz UERRUQYDZFAGRR-AYOQOUSVSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)CC[N@H+]1CC1CC(C)(C)C1 ZINC001088769150 1108728609 /nfs/dbraw/zinc/72/86/09/1108728609.db2.gz UERRUQYDZFAGRR-AYOQOUSVSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001088770198 1108733081 /nfs/dbraw/zinc/73/30/81/1108733081.db2.gz CDOSCFHVRLMMRY-NJAFHUGGSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC001088770198 1108733089 /nfs/dbraw/zinc/73/30/89/1108733089.db2.gz CDOSCFHVRLMMRY-NJAFHUGGSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1C[NH2+]CC1CCC1 ZINC001075333443 1108760977 /nfs/dbraw/zinc/76/09/77/1108760977.db2.gz RSBMZPUEMNWGMY-WMZOPIPTSA-N 1 3 335.536 2.593 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001075335120 1108780186 /nfs/dbraw/zinc/78/01/86/1108780186.db2.gz IZOHAMMDONFTNU-WMZOPIPTSA-N 1 3 340.471 2.535 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)cs1 ZINC001075334983 1108782564 /nfs/dbraw/zinc/78/25/64/1108782564.db2.gz HKMSTRUJHIQIQR-CZUORRHYSA-N 1 3 346.500 2.597 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001030021698 1108894150 /nfs/dbraw/zinc/89/41/50/1108894150.db2.gz RUBLSPLRWNPOOB-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO Cc1cc(N2CCN(C(=O)CN(C)C(C)C)CC2)c2ccccc2[nH+]1 ZINC001142584084 1109024630 /nfs/dbraw/zinc/02/46/30/1109024630.db2.gz ILVDCRLJDNJPBO-UHFFFAOYSA-N 1 3 340.471 2.532 20 0 EFADHO CC(C)N(C)CC(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001142587879 1109059089 /nfs/dbraw/zinc/05/90/89/1109059089.db2.gz CHWOGPLSHDPBQF-UHFFFAOYSA-N 1 3 335.467 2.589 20 0 EFADHO CN(CC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000898798741 1109087087 /nfs/dbraw/zinc/08/70/87/1109087087.db2.gz KWBDRICJJUCASG-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO COC(=O)CCc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC001168365691 1109340966 /nfs/dbraw/zinc/34/09/66/1109340966.db2.gz DTIVFUPZHAAPRT-UHFFFAOYSA-N 1 3 330.472 2.756 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@@H+]1C ZINC000990791359 1109361063 /nfs/dbraw/zinc/36/10/63/1109361063.db2.gz NEAZTPNABWSCAV-MYZZLAAOSA-N 1 3 347.528 2.702 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990791359 1109361068 /nfs/dbraw/zinc/36/10/68/1109361068.db2.gz NEAZTPNABWSCAV-MYZZLAAOSA-N 1 3 347.528 2.702 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H]1CCCc2ccccc21)N(C)C ZINC001483139008 1109615282 /nfs/dbraw/zinc/61/52/82/1109615282.db2.gz VEJSLXZSGJGFTG-LZQZEXGQSA-N 1 3 331.504 2.745 20 0 EFADHO COc1ccc(CN2CC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168366462 1109673167 /nfs/dbraw/zinc/67/31/67/1109673167.db2.gz SVUJMSYBUGYCID-FQEVSTJZSA-N 1 3 343.515 2.734 20 0 EFADHO CC(C)=CCN1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076446801 1109841062 /nfs/dbraw/zinc/84/10/62/1109841062.db2.gz AZYXYHZOURZFKM-VQTJNVASSA-N 1 3 345.531 2.607 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604340 1109950043 /nfs/dbraw/zinc/95/00/43/1109950043.db2.gz ZFQNCKDHEAHHMM-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001076604340 1109950045 /nfs/dbraw/zinc/95/00/45/1109950045.db2.gz ZFQNCKDHEAHHMM-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CN1CCC[C@H](C[N@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000741250244 1111210149 /nfs/dbraw/zinc/21/01/49/1111210149.db2.gz IYGYBMKEBQRWAY-BBRMVZONSA-N 1 3 341.293 2.756 20 0 EFADHO CN1CCC[C@H](C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)C1 ZINC000741250244 1111210153 /nfs/dbraw/zinc/21/01/53/1111210153.db2.gz IYGYBMKEBQRWAY-BBRMVZONSA-N 1 3 341.293 2.756 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001106281769 1111308143 /nfs/dbraw/zinc/30/81/43/1111308143.db2.gz BRAAMWAUNFKQLV-KURKYZTESA-N 1 3 325.541 2.693 20 0 EFADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1F ZINC001127317600 1111352338 /nfs/dbraw/zinc/35/23/38/1111352338.db2.gz SXAMYCQLPCERQL-OAHLLOKOSA-N 1 3 335.467 2.857 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001106313280 1111399394 /nfs/dbraw/zinc/39/93/94/1111399394.db2.gz VIARSQQIXCRGGZ-MISYRCLQSA-N 1 3 345.531 2.562 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CC1CCC2(CC2)CC1)N1CCCCC1 ZINC001127322864 1111422762 /nfs/dbraw/zinc/42/27/62/1111422762.db2.gz YYZCEHVOESMAQU-UHFFFAOYSA-N 1 3 335.536 2.927 20 0 EFADHO C[NH+](C)CCN1CCC2(CCN(Cc3ccccc3Cl)CC2)C1=O ZINC001272600714 1111531950 /nfs/dbraw/zinc/53/19/50/1111531950.db2.gz KGQIPAQTGGLTEC-UHFFFAOYSA-N 1 3 349.906 2.716 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)N(C)C ZINC001272608541 1111553719 /nfs/dbraw/zinc/55/37/19/1111553719.db2.gz SEFRXAPEPNOKJT-ZIFCJYIRSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)N(C)C ZINC001272608541 1111553724 /nfs/dbraw/zinc/55/37/24/1111553724.db2.gz SEFRXAPEPNOKJT-ZIFCJYIRSA-N 1 3 335.536 2.686 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(C)C)C1 ZINC001112382038 1111699128 /nfs/dbraw/zinc/69/91/28/1111699128.db2.gz BEEPTTXPDMZLTD-BJLQDIEVSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC3CCCC3)[C@H](C)C2)C1 ZINC001106666320 1111708889 /nfs/dbraw/zinc/70/88/89/1111708889.db2.gz KOQPFQFCQVEBKM-NLWGTHIKSA-N 1 3 349.563 2.983 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001106666509 1111708921 /nfs/dbraw/zinc/70/89/21/1111708921.db2.gz MSTRLFQYFDFSPJ-MDZRGWNJSA-N 1 3 341.515 2.539 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCCC(C)(C)C)[C@H](C)C1)N(C)C ZINC001106674051 1111712612 /nfs/dbraw/zinc/71/26/12/1111712612.db2.gz PELQTFQEHYBUPF-ZACQAIPSSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672247 1111712825 /nfs/dbraw/zinc/71/28/25/1111712825.db2.gz MNBIQNZFCATOFG-IAGOWNOFSA-N 1 3 325.541 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC1CCCC1 ZINC001106672307 1111713004 /nfs/dbraw/zinc/71/30/04/1111713004.db2.gz PNGLJTRNETYJIY-SJLPKXTDSA-N 1 3 337.552 2.839 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001272613721 1111744210 /nfs/dbraw/zinc/74/42/10/1111744210.db2.gz MUFAYRWSTACOQC-OKZBNKHCSA-N 1 3 335.536 2.830 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC[C@H](C)F)[C@H](C)C1 ZINC001106775629 1111821661 /nfs/dbraw/zinc/82/16/61/1111821661.db2.gz URVHWABYJUNQRX-FGTMMUONSA-N 1 3 343.531 2.931 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001106779539 1111823449 /nfs/dbraw/zinc/82/34/49/1111823449.db2.gz QZKUHFORNYOJFJ-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2ccc(F)cc2)[C@H](C)C1 ZINC001106778628 1111825855 /nfs/dbraw/zinc/82/58/55/1111825855.db2.gz MXTJXUQQGHLWFU-JFIYKMOQSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ccc2C)[C@H](C)C1 ZINC001106779372 1111826297 /nfs/dbraw/zinc/82/62/97/1111826297.db2.gz LOLGNPFSXVPLOE-UYAOXDASSA-N 1 3 345.531 2.829 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC001106783554 1111829003 /nfs/dbraw/zinc/82/90/03/1111829003.db2.gz SRMZQNOHYUFOJT-YVWKXTFCSA-N 1 3 343.515 2.700 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001106783988 1111829584 /nfs/dbraw/zinc/82/95/84/1111829584.db2.gz YOSPEZYFOYUEJK-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798398 1111850104 /nfs/dbraw/zinc/85/01/04/1111850104.db2.gz CCRVVDOHGXVLHB-RTBURBONSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106798611 1111850395 /nfs/dbraw/zinc/85/03/95/1111850395.db2.gz MVPBKKHKRIGBCL-UYAOXDASSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203522719 1111863330 /nfs/dbraw/zinc/86/33/30/1111863330.db2.gz OCVFMTAGVIDOBJ-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001409896883 1111868961 /nfs/dbraw/zinc/86/89/61/1111868961.db2.gz CGYVODJQKCWBLD-QGZVFWFLSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089382060 1112042733 /nfs/dbraw/zinc/04/27/33/1112042733.db2.gz PKUCIFSAVQTZTR-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089382060 1112042737 /nfs/dbraw/zinc/04/27/37/1112042737.db2.gz PKUCIFSAVQTZTR-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H]2CCN(C/C=C/Cl)CC(C)(C)C2)CC1 ZINC001089484088 1112214731 /nfs/dbraw/zinc/21/47/31/1112214731.db2.gz RUTFWRSGJDNLHK-YCOJEUHLSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491766 1112227890 /nfs/dbraw/zinc/22/78/90/1112227890.db2.gz UUBMKHVAADWZEM-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](NC(=O)CN2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491766 1112227891 /nfs/dbraw/zinc/22/78/91/1112227891.db2.gz UUBMKHVAADWZEM-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)C2)CC(C)(C)C1 ZINC001089549500 1112293809 /nfs/dbraw/zinc/29/38/09/1112293809.db2.gz ZVDTVPICSJLNLC-BDVYOWHSSA-N 1 3 346.519 2.914 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)C2)CC(C)(C)C1 ZINC001089549500 1112293813 /nfs/dbraw/zinc/29/38/13/1112293813.db2.gz ZVDTVPICSJLNLC-BDVYOWHSSA-N 1 3 346.519 2.914 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548667 1112294241 /nfs/dbraw/zinc/29/42/41/1112294241.db2.gz OOAZFECZACSDHT-INIZCTEOSA-N 1 3 332.492 2.834 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)CC(C)(C)C1 ZINC001089548667 1112294243 /nfs/dbraw/zinc/29/42/43/1112294243.db2.gz OOAZFECZACSDHT-INIZCTEOSA-N 1 3 332.492 2.834 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(CCF)CC(C)(C)C2)c1 ZINC001089560716 1112309029 /nfs/dbraw/zinc/30/90/29/1112309029.db2.gz FNVYDLQPHOZMIF-SFHVURJKSA-N 1 3 349.494 2.938 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(CCF)CC(C)(C)C1 ZINC001089565429 1112315679 /nfs/dbraw/zinc/31/56/79/1112315679.db2.gz RWHGHTXBCMLIER-QGZVFWFLSA-N 1 3 349.494 2.938 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031715335 1112416416 /nfs/dbraw/zinc/41/64/16/1112416416.db2.gz RPTLASGXCOBCED-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2ccccc2)C1 ZINC001031715335 1112416419 /nfs/dbraw/zinc/41/64/19/1112416419.db2.gz RPTLASGXCOBCED-VQIMIIECSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](NC(=O)C1(N(C)C)CCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001409910955 1112420060 /nfs/dbraw/zinc/42/00/60/1112420060.db2.gz JTQRDCRSBSHUGP-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089639265 1112428440 /nfs/dbraw/zinc/42/84/40/1112428440.db2.gz RWGYKJBRHYGNFB-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089639265 1112428441 /nfs/dbraw/zinc/42/84/41/1112428441.db2.gz RWGYKJBRHYGNFB-ZWKOTPCHSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642293 1112435360 /nfs/dbraw/zinc/43/53/60/1112435360.db2.gz IBZKPRZJGYJTJA-KZNAEPCWSA-N 1 3 335.536 2.900 20 0 EFADHO CC(C)=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642293 1112435363 /nfs/dbraw/zinc/43/53/63/1112435363.db2.gz IBZKPRZJGYJTJA-KZNAEPCWSA-N 1 3 335.536 2.900 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC1(NCc2ccc(F)cc2)CC1 ZINC001483790174 1112451721 /nfs/dbraw/zinc/45/17/21/1112451721.db2.gz JDXMKTCBRYJMRQ-UHFFFAOYSA-N 1 3 347.478 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2(C)CC[NH+](CCC3CCCC3)CC2)C1 ZINC001483970885 1112602137 /nfs/dbraw/zinc/60/21/37/1112602137.db2.gz LFCVCCFYFPWORF-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001484144096 1112821171 /nfs/dbraw/zinc/82/11/71/1112821171.db2.gz ZFMWOZMNANUWOX-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc1F ZINC001272686206 1113057458 /nfs/dbraw/zinc/05/74/58/1113057458.db2.gz JMOJZFMRZVESEW-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001484986164 1117911866 /nfs/dbraw/zinc/91/18/66/1117911866.db2.gz PYNAKBYENABFII-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)[C@@H](C)C1 ZINC001484986164 1117911867 /nfs/dbraw/zinc/91/18/67/1117911867.db2.gz PYNAKBYENABFII-HKUYNNGSSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1ccc(F)cc1 ZINC001484977400 1117917089 /nfs/dbraw/zinc/91/70/89/1117917089.db2.gz RFHFVUPFFCZNMZ-QAPCUYQASA-N 1 3 347.478 2.637 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccc(C)cc1 ZINC001485076235 1118016587 /nfs/dbraw/zinc/01/65/87/1118016587.db2.gz RWOHJDQNKCZSGH-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccc(C)cc1 ZINC001485076235 1118016593 /nfs/dbraw/zinc/01/65/93/1118016593.db2.gz RWOHJDQNKCZSGH-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CN(CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1)CC(C)(C)C ZINC001485259722 1118179228 /nfs/dbraw/zinc/17/92/28/1118179228.db2.gz COWRZXJKOVEMAO-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH]cn2)cc1C ZINC001485260248 1118179284 /nfs/dbraw/zinc/17/92/84/1118179284.db2.gz KLFNSSLHNUBTPH-UHFFFAOYSA-N 1 3 342.487 2.843 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]Cc1cccnc1 ZINC001485265832 1118184228 /nfs/dbraw/zinc/18/42/28/1118184228.db2.gz NDMFYGIZWWZPBF-SFHVURJKSA-N 1 3 346.519 2.530 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@H+](C)CC1CC(F)(F)C1 ZINC001485301040 1118217870 /nfs/dbraw/zinc/21/78/70/1118217870.db2.gz HDSSNIOFRKXMOT-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001485301040 1118217873 /nfs/dbraw/zinc/21/78/73/1118217873.db2.gz HDSSNIOFRKXMOT-AWEZNQCLSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001127659572 1118220588 /nfs/dbraw/zinc/22/05/88/1118220588.db2.gz GKERXBRVHDMCIN-OUCADQQQSA-N 1 3 341.858 2.586 20 0 EFADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001127659572 1118220590 /nfs/dbraw/zinc/22/05/90/1118220590.db2.gz GKERXBRVHDMCIN-OUCADQQQSA-N 1 3 341.858 2.586 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485377235 1118303843 /nfs/dbraw/zinc/30/38/43/1118303843.db2.gz YGAWTDJLHSYNCP-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@H]1CCc2c1cccc2F ZINC001485377235 1118303846 /nfs/dbraw/zinc/30/38/46/1118303846.db2.gz YGAWTDJLHSYNCP-BEFAXECRSA-N 1 3 349.494 2.981 20 0 EFADHO Cc1cc(C[NH2+][C@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)cs1 ZINC001485438743 1118351395 /nfs/dbraw/zinc/35/13/95/1118351395.db2.gz YEJKIPZYPUKJIH-QGZVFWFLSA-N 1 3 348.516 2.985 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C2)cc1 ZINC001485529511 1118430486 /nfs/dbraw/zinc/43/04/86/1118430486.db2.gz SEZNMOUFFDHWTK-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccc(CN2CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C2)cc1 ZINC001485529511 1118430488 /nfs/dbraw/zinc/43/04/88/1118430488.db2.gz SEZNMOUFFDHWTK-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941237907 1118695370 /nfs/dbraw/zinc/69/53/70/1118695370.db2.gz SMYYWMYTEXMVOZ-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000941237907 1118695373 /nfs/dbraw/zinc/69/53/73/1118695373.db2.gz SMYYWMYTEXMVOZ-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001203455307 1118716749 /nfs/dbraw/zinc/71/67/49/1118716749.db2.gz FUHGNTDZYGWUCH-HNNXBMFYSA-N 1 3 345.478 2.734 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863153 1118816813 /nfs/dbraw/zinc/81/68/13/1118816813.db2.gz VBWYAGMCIHUDLY-MANSERQUSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CN1CCC(C)(C)C1 ZINC001089863153 1118816820 /nfs/dbraw/zinc/81/68/20/1118816820.db2.gz VBWYAGMCIHUDLY-MANSERQUSA-N 1 3 347.547 2.543 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001032026475 1118944132 /nfs/dbraw/zinc/94/41/32/1118944132.db2.gz GGKVACIOJHSHGC-IBGZPJMESA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001032027730 1118952558 /nfs/dbraw/zinc/95/25/58/1118952558.db2.gz YIIHLCFWYMUDIY-SFHVURJKSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042878 1119072688 /nfs/dbraw/zinc/07/26/88/1119072688.db2.gz MYFJUEHRHPXIIV-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001032042878 1119072690 /nfs/dbraw/zinc/07/26/90/1119072690.db2.gz MYFJUEHRHPXIIV-VQTJNVASSA-N 1 3 341.499 2.560 20 0 EFADHO CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032182936 1119929581 /nfs/dbraw/zinc/92/95/81/1119929581.db2.gz WEUWUPBMBZRJFO-OXQOHEQNSA-N 1 3 343.515 2.871 20 0 EFADHO CC(C)c1ccc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032182936 1119929584 /nfs/dbraw/zinc/92/95/84/1119929584.db2.gz WEUWUPBMBZRJFO-OXQOHEQNSA-N 1 3 343.515 2.871 20 0 EFADHO CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032182935 1119929607 /nfs/dbraw/zinc/92/96/07/1119929607.db2.gz WEUWUPBMBZRJFO-OXJNMPFZSA-N 1 3 343.515 2.871 20 0 EFADHO CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032182935 1119929611 /nfs/dbraw/zinc/92/96/11/1119929611.db2.gz WEUWUPBMBZRJFO-OXJNMPFZSA-N 1 3 343.515 2.871 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036393 1120015980 /nfs/dbraw/zinc/01/59/80/1120015980.db2.gz KZVIKJGCTKCVJR-RTUSNTFBSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001107038999 1120044980 /nfs/dbraw/zinc/04/49/80/1120044980.db2.gz KETQYBLUIXLGLX-IEBWSBKVSA-N 1 3 331.504 2.519 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040978 1120057724 /nfs/dbraw/zinc/05/77/24/1120057724.db2.gz VVTGPHKIVOLTEC-RCCFBDPRSA-N 1 3 325.541 2.693 20 0 EFADHO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040977 1120057892 /nfs/dbraw/zinc/05/78/92/1120057892.db2.gz VVTGPHKIVOLTEC-KZNAEPCWSA-N 1 3 325.541 2.693 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C[C@@H]1C ZINC000944441803 1120193546 /nfs/dbraw/zinc/19/35/46/1120193546.db2.gz AOVPZGLFRZFEGB-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)C[C@@H]1C ZINC000944441803 1120193548 /nfs/dbraw/zinc/19/35/48/1120193548.db2.gz AOVPZGLFRZFEGB-WMLDXEAASA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1C ZINC000944446212 1120194872 /nfs/dbraw/zinc/19/48/72/1120194872.db2.gz SMBQCAAMEHMVLC-WMLDXEAASA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1C ZINC000944446212 1120194875 /nfs/dbraw/zinc/19/48/75/1120194875.db2.gz SMBQCAAMEHMVLC-WMLDXEAASA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000944447132 1120195389 /nfs/dbraw/zinc/19/53/89/1120195389.db2.gz XTFSNDCBVBWZAW-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000944447132 1120195391 /nfs/dbraw/zinc/19/53/91/1120195391.db2.gz XTFSNDCBVBWZAW-YOEHRIQHSA-N 1 3 332.492 2.668 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2C[NH+](CC3=CCCCC3)C2)c1 ZINC001032206640 1120202130 /nfs/dbraw/zinc/20/21/30/1120202130.db2.gz FJCPSZBPRUGFNU-UHFFFAOYSA-N 1 3 341.499 2.910 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NCC2CN(Cc3ccccc3)C2)c1 ZINC001032207679 1120207731 /nfs/dbraw/zinc/20/77/31/1120207731.db2.gz XHSHVRQXMVAFCM-UHFFFAOYSA-N 1 3 337.467 2.610 20 0 EFADHO C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027807 1120517448 /nfs/dbraw/zinc/51/74/48/1120517448.db2.gz BTJIIVJPXVMABL-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027807 1120517451 /nfs/dbraw/zinc/51/74/51/1120517451.db2.gz BTJIIVJPXVMABL-HNAYVOBHSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028184 1120518600 /nfs/dbraw/zinc/51/86/00/1120518600.db2.gz FJRAYKZSHPQCTE-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC000945028184 1120518603 /nfs/dbraw/zinc/51/86/03/1120518603.db2.gz FJRAYKZSHPQCTE-QFBILLFUSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028650 1120519543 /nfs/dbraw/zinc/51/95/43/1120519543.db2.gz KYBWLHKXKJHEGF-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945028650 1120519546 /nfs/dbraw/zinc/51/95/46/1120519546.db2.gz KYBWLHKXKJHEGF-QAPCUYQASA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029633 1120521071 /nfs/dbraw/zinc/52/10/71/1120521071.db2.gz VGKSDUHQZOJDBF-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1C[N@@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945029633 1120521076 /nfs/dbraw/zinc/52/10/76/1120521076.db2.gz VGKSDUHQZOJDBF-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090548 1120561275 /nfs/dbraw/zinc/56/12/75/1120561275.db2.gz LJWJQDGCLMFTAS-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000945090548 1120561281 /nfs/dbraw/zinc/56/12/81/1120561281.db2.gz LJWJQDGCLMFTAS-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[NH2+]CC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000051756283 214102859 /nfs/dbraw/zinc/10/28/59/214102859.db2.gz KZPOXHCVHZYMPQ-UHFFFAOYSA-N 1 3 327.266 2.759 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000174536094 282110344 /nfs/dbraw/zinc/11/03/44/282110344.db2.gz XRIBWSBILRTHJS-QYZOEREBSA-N 1 3 332.488 2.920 20 0 EFADHO CN(C)CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194009852 282111781 /nfs/dbraw/zinc/11/17/81/282111781.db2.gz DSYDLLZMMUHXIO-BHIYHBOVSA-N 1 3 330.472 2.674 20 0 EFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC(CC[NH+](C)C)CC1 ZINC000056522717 214378694 /nfs/dbraw/zinc/37/86/94/214378694.db2.gz ZPXKURNTWAMELK-MRXNPFEDSA-N 1 3 349.494 2.836 20 0 EFADHO c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000174241007 231157493 /nfs/dbraw/zinc/15/74/93/231157493.db2.gz WPWGLDIMIUSDSY-UHFFFAOYSA-N 1 3 330.472 2.698 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000174851937 231324220 /nfs/dbraw/zinc/32/42/20/231324220.db2.gz TXDYGVJTKTXRII-CQSZACIVSA-N 1 3 329.444 2.518 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000236659267 534932100 /nfs/dbraw/zinc/93/21/00/534932100.db2.gz CGALXUSKYMRGBG-UHFFFAOYSA-N 1 3 341.565 2.619 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1[C@@H](C)CC[C@@H]1C ZINC000101662844 219153896 /nfs/dbraw/zinc/15/38/96/219153896.db2.gz JQSVNOBWWRFXBL-ULQDDVLXSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@H](NC(=O)NC(C)(C)CN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000418353212 299142856 /nfs/dbraw/zinc/14/28/56/299142856.db2.gz VQSVBEVGHCKRJG-WMZOPIPTSA-N 1 3 346.519 2.584 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)o1 ZINC000067452784 215148125 /nfs/dbraw/zinc/14/81/25/215148125.db2.gz VYTDIFYAOYGDHX-HZPDHXFCSA-N 1 3 346.475 2.957 20 0 EFADHO COc1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067452968 215148224 /nfs/dbraw/zinc/14/82/24/215148224.db2.gz YGCAZNNXZFQGHK-IYBDPMFKSA-N 1 3 336.476 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000104150262 219353461 /nfs/dbraw/zinc/35/34/61/219353461.db2.gz YOILHDUOPHQSII-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000104150262 219353464 /nfs/dbraw/zinc/35/34/64/219353464.db2.gz YOILHDUOPHQSII-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CN1CCC2(CCCN2C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000371411202 282730116 /nfs/dbraw/zinc/73/01/16/282730116.db2.gz MHKWRWPJLVJVQR-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000104411505 219385434 /nfs/dbraw/zinc/38/54/34/219385434.db2.gz BVHVVLKSQCFNQM-IBGZPJMESA-N 1 3 347.503 2.508 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC000418427797 535192995 /nfs/dbraw/zinc/19/29/95/535192995.db2.gz OZZLLTAYNALHTK-OAHLLOKOSA-N 1 3 340.899 2.759 20 0 EFADHO FC(F)(F)[C@@H](CN[C@H]1CCCc2sccc21)N1CC[NH2+]CC1 ZINC000423400876 282910461 /nfs/dbraw/zinc/91/04/61/282910461.db2.gz XIYHKCUSLANXBJ-GXTWGEPZSA-N 1 3 333.423 2.551 20 0 EFADHO COC(=O)CCN(Cc1cccc(F)c1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414693758 291022853 /nfs/dbraw/zinc/02/28/53/291022853.db2.gz FHSZTKQQXSLLEY-KGLIPLIRSA-N 1 3 340.414 2.718 20 0 EFADHO CC(C)[C@@H]1CN(CCCCC[N@@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000351094866 535261961 /nfs/dbraw/zinc/26/19/61/535261961.db2.gz DHSCKBASROJVFC-OALUTQOASA-N 1 3 326.525 2.870 20 0 EFADHO CC(C)[C@@H]1CN(CCCCC[N@H+]2CCO[C@H](C(C)C)C2)CCO1 ZINC000351094866 535261963 /nfs/dbraw/zinc/26/19/63/535261963.db2.gz DHSCKBASROJVFC-OALUTQOASA-N 1 3 326.525 2.870 20 0 EFADHO CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416156123 283063544 /nfs/dbraw/zinc/06/35/44/283063544.db2.gz AJPMLJQEJSAWQN-MJGOQNOKSA-N 1 3 331.504 2.870 20 0 EFADHO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416156123 283063546 /nfs/dbraw/zinc/06/35/46/283063546.db2.gz AJPMLJQEJSAWQN-MJGOQNOKSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116529822 295905574 /nfs/dbraw/zinc/90/55/74/295905574.db2.gz NKIDVBTZPHEQJK-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO Cc1cncc([C@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000184407938 235390052 /nfs/dbraw/zinc/39/00/52/235390052.db2.gz OLBADDGUMSFPQV-INIZCTEOSA-N 1 3 340.471 2.532 20 0 EFADHO Cc1cncc([C@@H](C)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000184407921 235390245 /nfs/dbraw/zinc/39/02/45/235390245.db2.gz OLBADDGUMSFPQV-MRXNPFEDSA-N 1 3 340.471 2.532 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000360886625 283182403 /nfs/dbraw/zinc/18/24/03/283182403.db2.gz SBONDZIXOHHBPB-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000360886625 283182406 /nfs/dbraw/zinc/18/24/06/283182406.db2.gz SBONDZIXOHHBPB-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCCC12CCN(C)CC2 ZINC000372433144 283210840 /nfs/dbraw/zinc/21/08/40/283210840.db2.gz BGDBATFYOIEWDJ-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCc2ccccc21 ZINC000414679227 283280293 /nfs/dbraw/zinc/28/02/93/283280293.db2.gz RLGZUIHHLGBDOM-LPHOPBHVSA-N 1 3 329.488 2.583 20 0 EFADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CCc2ccccc21 ZINC000414679227 283280294 /nfs/dbraw/zinc/28/02/94/283280294.db2.gz RLGZUIHHLGBDOM-LPHOPBHVSA-N 1 3 329.488 2.583 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261873221 291140297 /nfs/dbraw/zinc/14/02/97/291140297.db2.gz YDIBHCGJARPJCG-JCHJZTRSSA-N 1 3 329.488 2.531 20 0 EFADHO CC[C@@H](C(=O)NCC1(N2CCSCC2)CCCC1)[NH+](CC)CC ZINC000345980773 535407741 /nfs/dbraw/zinc/40/77/41/535407741.db2.gz FPNJKFMMQPUPOM-INIZCTEOSA-N 1 3 341.565 2.585 20 0 EFADHO CCC[NH2+]CCNC(=O)N(CC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000418482141 283386162 /nfs/dbraw/zinc/38/61/62/283386162.db2.gz VBFSIXDWSAIZPB-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cc3ccccc3[nH]c2=O)C[C@@H](C)O1 ZINC000072290849 216125740 /nfs/dbraw/zinc/12/57/40/216125740.db2.gz RBTBWRUMKVMFGH-HZPDHXFCSA-N 1 3 343.471 2.919 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000422955905 296026514 /nfs/dbraw/zinc/02/65/14/296026514.db2.gz KEEPGJCNTNFPTD-UZLBHIALSA-N 1 3 343.515 2.716 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000072860390 216320825 /nfs/dbraw/zinc/32/08/25/216320825.db2.gz RUHUJGVJSBODKP-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000072860390 216320828 /nfs/dbraw/zinc/32/08/28/216320828.db2.gz RUHUJGVJSBODKP-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000073440733 216386350 /nfs/dbraw/zinc/38/63/50/216386350.db2.gz JCCYHMPBPDBJIV-HKUYNNGSSA-N 1 3 346.519 2.663 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000073440733 216386353 /nfs/dbraw/zinc/38/63/53/216386353.db2.gz JCCYHMPBPDBJIV-HKUYNNGSSA-N 1 3 346.519 2.663 20 0 EFADHO CN(C)CCOc1ccccc1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000166178126 239122704 /nfs/dbraw/zinc/12/27/04/239122704.db2.gz QHCSKMOZQRKJJI-QZTJIDSGSA-N 1 3 347.503 2.541 20 0 EFADHO Cc1cccc(OCC[N@@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000191454623 239122825 /nfs/dbraw/zinc/12/28/25/239122825.db2.gz VUFDXOSZAGMNIT-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1cccc(OCC[N@H+](C)CCCN2CCN(C(C)C)CC2)c1 ZINC000191454623 239122830 /nfs/dbraw/zinc/12/28/30/239122830.db2.gz VUFDXOSZAGMNIT-UHFFFAOYSA-N 1 3 333.520 2.722 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1cnc(-c2ccco2)s1 ZINC000193097250 240016909 /nfs/dbraw/zinc/01/69/09/240016909.db2.gz IFAOLNGNYXFUFO-CQSZACIVSA-N 1 3 335.473 2.730 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1cnc(-c2ccco2)s1 ZINC000193097250 240016916 /nfs/dbraw/zinc/01/69/16/240016916.db2.gz IFAOLNGNYXFUFO-CQSZACIVSA-N 1 3 335.473 2.730 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cnc(-c3ccco3)s2)CC1 ZINC000193138710 240036878 /nfs/dbraw/zinc/03/68/78/240036878.db2.gz YRDNHIWIAFIPIO-UHFFFAOYSA-N 1 3 334.489 2.519 20 0 EFADHO C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000422197785 296075754 /nfs/dbraw/zinc/07/57/54/296075754.db2.gz GMZGQAVLZVRVMA-HJZRJOMTSA-N 1 3 346.519 2.850 20 0 EFADHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC000075325317 216607869 /nfs/dbraw/zinc/60/78/69/216607869.db2.gz DDTOESOEUDGDQB-VQTJNVASSA-N 1 3 345.531 2.943 20 0 EFADHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C(C)C)N(C)C ZINC000075325317 216607872 /nfs/dbraw/zinc/60/78/72/216607872.db2.gz DDTOESOEUDGDQB-VQTJNVASSA-N 1 3 345.531 2.943 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCOCC3(CCC3)C2)CC1 ZINC000355509843 242037627 /nfs/dbraw/zinc/03/76/27/242037627.db2.gz MEDQEWSEGJJXSW-UHFFFAOYSA-N 1 3 343.515 2.831 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCOCC3(CCC3)C2)CC1 ZINC000355509843 242037634 /nfs/dbraw/zinc/03/76/34/242037634.db2.gz MEDQEWSEGJJXSW-UHFFFAOYSA-N 1 3 343.515 2.831 20 0 EFADHO CCCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236744998 242343816 /nfs/dbraw/zinc/34/38/16/242343816.db2.gz ZKVLQQHTAPUEHD-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000449853685 296103418 /nfs/dbraw/zinc/10/34/18/296103418.db2.gz WICHHTJBUSBCCX-RTBURBONSA-N 1 3 333.520 2.870 20 0 EFADHO O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000449853685 296103419 /nfs/dbraw/zinc/10/34/19/296103419.db2.gz WICHHTJBUSBCCX-RTBURBONSA-N 1 3 333.520 2.870 20 0 EFADHO CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236769762 242352743 /nfs/dbraw/zinc/35/27/43/242352743.db2.gz OGPQIQKZLPWONU-MRXNPFEDSA-N 1 3 335.467 2.671 20 0 EFADHO C[C@@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)C1CC[NH2+]CC1 ZINC000236787979 242357495 /nfs/dbraw/zinc/35/74/95/242357495.db2.gz UEEHWCJMIQEAHY-HFCFLWKCSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236607773 242295752 /nfs/dbraw/zinc/29/57/52/242295752.db2.gz RECZVNGZPCJZMS-PKOBYXMFSA-N 1 3 349.494 2.870 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)C3(N)CCCC3)c2)CC1 ZINC000236638213 242302136 /nfs/dbraw/zinc/30/21/36/242302136.db2.gz FYYSNEXFBSNTNM-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)CC1 ZINC000236634732 242302795 /nfs/dbraw/zinc/30/27/95/242302795.db2.gz CDJKMZJVFHAKAR-LJQANCHMSA-N 1 3 329.488 2.677 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000236886984 242396271 /nfs/dbraw/zinc/39/62/71/242396271.db2.gz JRHBNYLUNJKCKA-NEWSRXKRSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000236886984 242396275 /nfs/dbraw/zinc/39/62/75/242396275.db2.gz JRHBNYLUNJKCKA-NEWSRXKRSA-N 1 3 331.504 2.730 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCCCN1 ZINC000166409821 284004727 /nfs/dbraw/zinc/00/47/27/284004727.db2.gz HKLXFYIKXQUTHJ-LJQANCHMSA-N 1 3 329.488 2.821 20 0 EFADHO C[C@H](CC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237565229 242694897 /nfs/dbraw/zinc/69/48/97/242694897.db2.gz WOFHWEMPADGKMW-MJGOQNOKSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1cccc(C)c1[C@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411522938 242857777 /nfs/dbraw/zinc/85/77/77/242857777.db2.gz CFVTYNQIDMYLBC-KRWDZBQOSA-N 1 3 331.504 2.943 20 0 EFADHO Cc1cccc(C)c1[C@@H](C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411522939 242857810 /nfs/dbraw/zinc/85/78/10/242857810.db2.gz CFVTYNQIDMYLBC-QGZVFWFLSA-N 1 3 331.504 2.943 20 0 EFADHO Cc1cccc(C)c1OCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000411407538 242821275 /nfs/dbraw/zinc/82/12/75/242821275.db2.gz JOVANBAUFQDKDI-UHFFFAOYSA-N 1 3 333.520 2.640 20 0 EFADHO Cc1cccc(C)c1OCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000411407538 242821281 /nfs/dbraw/zinc/82/12/81/242821281.db2.gz JOVANBAUFQDKDI-UHFFFAOYSA-N 1 3 333.520 2.640 20 0 EFADHO Cc1cccc(C)c1OCCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407538 242821284 /nfs/dbraw/zinc/82/12/84/242821284.db2.gz JOVANBAUFQDKDI-UHFFFAOYSA-N 1 3 333.520 2.640 20 0 EFADHO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411938051 243035108 /nfs/dbraw/zinc/03/51/08/243035108.db2.gz FXUDSANTTRWDPZ-LJQANCHMSA-N 1 3 329.488 2.583 20 0 EFADHO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CCCCC3)c2)C1 ZINC000411938051 243035114 /nfs/dbraw/zinc/03/51/14/243035114.db2.gz FXUDSANTTRWDPZ-LJQANCHMSA-N 1 3 329.488 2.583 20 0 EFADHO C[C@@H]([NH2+]CC1(N2CCOCC2)CCN(C)CC1)[C@@H]1CCCC[C@H]1C ZINC000414206286 296119063 /nfs/dbraw/zinc/11/90/63/296119063.db2.gz YDMAICLWPNYIQP-GUDVDZBRSA-N 1 3 337.552 2.587 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000412255616 243231639 /nfs/dbraw/zinc/23/16/39/243231639.db2.gz ZNKUYMWRCWDXKS-SFHVURJKSA-N 1 3 329.488 2.696 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000412332667 243273078 /nfs/dbraw/zinc/27/30/78/243273078.db2.gz DHTNKTKHMPIBLX-JEWRLFTDSA-N 1 3 347.503 2.675 20 0 EFADHO C[C@@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000414092136 244002352 /nfs/dbraw/zinc/00/23/52/244002352.db2.gz DWLUTFOMILABNI-QGZVFWFLSA-N 1 3 342.487 2.788 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@H+](C)C1 ZINC000414202408 244044869 /nfs/dbraw/zinc/04/48/69/244044869.db2.gz YNVVNVLIVDIOFC-HZPDHXFCSA-N 1 3 334.460 2.621 20 0 EFADHO COC(=O)COc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000414202408 244044875 /nfs/dbraw/zinc/04/48/75/244044875.db2.gz YNVVNVLIVDIOFC-HZPDHXFCSA-N 1 3 334.460 2.621 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c1 ZINC000414207166 244048274 /nfs/dbraw/zinc/04/82/74/244048274.db2.gz ZEYJFDZSVYBXGT-IBGZPJMESA-N 1 3 345.531 2.751 20 0 EFADHO CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(CC)CC1 ZINC000414266814 244067992 /nfs/dbraw/zinc/06/79/92/244067992.db2.gz MLYYFRWUAHBLEO-TZIWHRDSSA-N 1 3 345.531 2.597 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000414331962 244089070 /nfs/dbraw/zinc/08/90/70/244089070.db2.gz USEBURIEQDXRIQ-LJQANCHMSA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414328161 244090839 /nfs/dbraw/zinc/09/08/39/244090839.db2.gz PTWFSTAJZGTTEW-CVEARBPZSA-N 1 3 331.504 2.908 20 0 EFADHO COCC[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000414485711 244192724 /nfs/dbraw/zinc/19/27/24/244192724.db2.gz RUXUTOOMIUSYEU-QGZVFWFLSA-N 1 3 333.520 2.979 20 0 EFADHO C[C@@H](CC[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414490437 244194067 /nfs/dbraw/zinc/19/40/67/244194067.db2.gz XLRPHYVRQHIMSH-IBGZPJMESA-N 1 3 345.531 2.566 20 0 EFADHO OC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000414536811 244218604 /nfs/dbraw/zinc/21/86/04/244218604.db2.gz YFBGPTPAWBMTLO-MRXNPFEDSA-N 1 3 329.419 2.555 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695621 244294623 /nfs/dbraw/zinc/29/46/23/244294623.db2.gz GUHNQTSKEHLMJM-BQFCYCMXSA-N 1 3 345.487 2.795 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414674572 244285213 /nfs/dbraw/zinc/28/52/13/244285213.db2.gz KQLAPLYNNAWOAJ-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414674572 244285223 /nfs/dbraw/zinc/28/52/23/244285223.db2.gz KQLAPLYNNAWOAJ-WMLDXEAASA-N 1 3 335.879 2.674 20 0 EFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689225 244291975 /nfs/dbraw/zinc/29/19/75/244291975.db2.gz KLXIKNZOKVSWTQ-SXLOBPIMSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689225 244291979 /nfs/dbraw/zinc/29/19/79/244291979.db2.gz KLXIKNZOKVSWTQ-SXLOBPIMSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696068 244293591 /nfs/dbraw/zinc/29/35/91/244293591.db2.gz ATIXSXCKXTWDTN-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414696068 244293595 /nfs/dbraw/zinc/29/35/95/244293595.db2.gz ATIXSXCKXTWDTN-RBUKOAKNSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718524 244305402 /nfs/dbraw/zinc/30/54/02/244305402.db2.gz ZFLVCPYBDKDREK-HKUYNNGSSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718524 244305409 /nfs/dbraw/zinc/30/54/09/244305409.db2.gz ZFLVCPYBDKDREK-HKUYNNGSSA-N 1 3 329.488 2.638 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000414773510 244338292 /nfs/dbraw/zinc/33/82/92/244338292.db2.gz AEBOAIWBDNJEOW-CVEARBPZSA-N 1 3 344.377 2.913 20 0 EFADHO C[C@]1(CCc2ccccc2)CC[N@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745584 244322123 /nfs/dbraw/zinc/32/21/23/244322123.db2.gz PMQHNHULNDUNKU-CTNGQTDRSA-N 1 3 343.515 2.529 20 0 EFADHO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C1 ZINC000414745584 244322129 /nfs/dbraw/zinc/32/21/29/244322129.db2.gz PMQHNHULNDUNKU-CTNGQTDRSA-N 1 3 343.515 2.529 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000414749748 244323013 /nfs/dbraw/zinc/32/30/13/244323013.db2.gz YWUGMYAMYVBFKK-HNNXBMFYSA-N 1 3 349.906 2.717 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(Cl)cc3)CC2)C1 ZINC000414749749 244323933 /nfs/dbraw/zinc/32/39/33/244323933.db2.gz YWUGMYAMYVBFKK-OAHLLOKOSA-N 1 3 349.906 2.717 20 0 EFADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CCC3CCCCC3)CC2)CC[NH2+]1 ZINC000414755076 244326048 /nfs/dbraw/zinc/32/60/48/244326048.db2.gz YPLSISLWQQDKRB-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](C[N@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760738 244331274 /nfs/dbraw/zinc/33/12/74/244331274.db2.gz ZJQXBDVQGWMUTC-ZWKOTPCHSA-N 1 3 331.504 2.699 20 0 EFADHO CC[C@H](C[N@@H+](CC)C[C@@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760738 244331277 /nfs/dbraw/zinc/33/12/77/244331277.db2.gz ZJQXBDVQGWMUTC-ZWKOTPCHSA-N 1 3 331.504 2.699 20 0 EFADHO Clc1ccc(-n2cc(CN3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000414762312 244331990 /nfs/dbraw/zinc/33/19/90/244331990.db2.gz AGHYJPHHSDPENU-IYBDPMFKSA-N 1 3 330.863 2.957 20 0 EFADHO Cc1nc2ccc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2s1 ZINC000414767544 244335470 /nfs/dbraw/zinc/33/54/70/244335470.db2.gz GLJCQBSYRLPDGP-QAPCUYQASA-N 1 3 331.485 2.933 20 0 EFADHO Cc1nc(COc2ccc(CN[C@H]3CCCC[C@@H]3C[NH3+])cc2)no1 ZINC000414808985 244360854 /nfs/dbraw/zinc/36/08/54/244360854.db2.gz SYXIGHPVASXQSU-WBVHZDCISA-N 1 3 330.432 2.564 20 0 EFADHO Cc1nc(COc2ccc(CN[C@@H]3CCCC[C@@H]3C[NH3+])cc2)no1 ZINC000414808980 244361121 /nfs/dbraw/zinc/36/11/21/244361121.db2.gz SYXIGHPVASXQSU-NVXWUHKLSA-N 1 3 330.432 2.564 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000414807846 244361798 /nfs/dbraw/zinc/36/17/98/244361798.db2.gz RPLOCTYAGXLUCF-DGCLKSJQSA-N 1 3 341.249 2.785 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cnc2ccc(Br)cn12 ZINC000414808711 244362522 /nfs/dbraw/zinc/36/25/22/244362522.db2.gz SQDHFBHSTYUGEX-SMDDNHRTSA-N 1 3 337.265 2.704 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)N[C@@H](C[NH3+])C1CC1 ZINC000414814078 244363666 /nfs/dbraw/zinc/36/36/66/244363666.db2.gz YYCFABCDAYAXGU-HZMBPMFUSA-N 1 3 329.366 2.749 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2CN)c1 ZINC000414810606 244364230 /nfs/dbraw/zinc/36/42/30/244364230.db2.gz VJXODBHKIQTECO-OFQRWUPVSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414810606 244364237 /nfs/dbraw/zinc/36/42/37/244364237.db2.gz VJXODBHKIQTECO-OFQRWUPVSA-N 1 3 349.475 2.528 20 0 EFADHO C[NH2+]CCCNC1CCN(Cc2ccccc2Br)CC1 ZINC000414861337 244375084 /nfs/dbraw/zinc/37/50/84/244375084.db2.gz RXZULYNEPBCBTD-UHFFFAOYSA-N 1 3 340.309 2.613 20 0 EFADHO CNCCC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414861337 244375088 /nfs/dbraw/zinc/37/50/88/244375088.db2.gz RXZULYNEPBCBTD-UHFFFAOYSA-N 1 3 340.309 2.613 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781995 244346289 /nfs/dbraw/zinc/34/62/89/244346289.db2.gz NVUGAGLLLUJXDB-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781995 244346294 /nfs/dbraw/zinc/34/62/94/244346294.db2.gz NVUGAGLLLUJXDB-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC12CCOCC2 ZINC000414781995 244346301 /nfs/dbraw/zinc/34/63/01/244346301.db2.gz NVUGAGLLLUJXDB-HXUWFJFHSA-N 1 3 337.467 2.936 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2cccc(OC(F)(F)F)c2)CC12CCOCC2 ZINC000414784219 244349205 /nfs/dbraw/zinc/34/92/05/244349205.db2.gz QYLDYXVIPRSWMU-AWEZNQCLSA-N 1 3 344.377 2.773 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414788119 244350021 /nfs/dbraw/zinc/35/00/21/244350021.db2.gz WGVPDZHTHSWNIC-CABCVRRESA-N 1 3 334.460 2.534 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000414787456 244350852 /nfs/dbraw/zinc/35/08/52/244350852.db2.gz LVUKLWYBBRANCO-QUCCMNQESA-N 1 3 330.472 2.804 20 0 EFADHO CC(C)[C@H](N)C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414793669 244355078 /nfs/dbraw/zinc/35/50/78/244355078.db2.gz LBOBSKWQCNTCFQ-CQSZACIVSA-N 1 3 326.366 2.964 20 0 EFADHO C[C@H](CN)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414877341 244382880 /nfs/dbraw/zinc/38/28/80/244382880.db2.gz MNJXUYMJGBHWTP-CYBMUJFWSA-N 1 3 340.309 2.598 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414945393 244399375 /nfs/dbraw/zinc/39/93/75/244399375.db2.gz IGDGPRCLPXHRKA-CPUCHLNUSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414945393 244399381 /nfs/dbraw/zinc/39/93/81/244399381.db2.gz IGDGPRCLPXHRKA-CPUCHLNUSA-N 1 3 337.895 2.807 20 0 EFADHO C[C@H]([NH3+])CCNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416831993 244865197 /nfs/dbraw/zinc/86/51/97/244865197.db2.gz IBDILTGPABWAGY-LSDHHAIUSA-N 1 3 338.521 2.558 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000416788213 244844211 /nfs/dbraw/zinc/84/42/11/244844211.db2.gz PYOUNNDYXJZPRS-RBUKOAKNSA-N 1 3 344.503 2.655 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000417070274 245004502 /nfs/dbraw/zinc/00/45/02/245004502.db2.gz FYBOPGRNPHONLW-GBESFXJTSA-N 1 3 344.503 2.736 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000417070274 245004506 /nfs/dbraw/zinc/00/45/06/245004506.db2.gz FYBOPGRNPHONLW-GBESFXJTSA-N 1 3 344.503 2.736 20 0 EFADHO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000237034751 284214614 /nfs/dbraw/zinc/21/46/14/284214614.db2.gz KVCUXBCZASPYEH-WZGPROSRSA-N 1 3 329.488 2.798 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000417104502 245023475 /nfs/dbraw/zinc/02/34/75/245023475.db2.gz FCGSGKKNAZLASY-WDSOQIARSA-N 1 3 344.503 2.562 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000417218890 245051268 /nfs/dbraw/zinc/05/12/68/245051268.db2.gz HVRTZGBVMHGMQY-XGXHKWSGSA-N 1 3 344.503 2.639 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000417225789 245053017 /nfs/dbraw/zinc/05/30/17/245053017.db2.gz YIYUODVNJXLULK-BXWFABGCSA-N 1 3 344.503 2.591 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418419816 245151788 /nfs/dbraw/zinc/15/17/88/245151788.db2.gz YDZVEVAGDVUOEG-MOPGFXCFSA-N 1 3 346.519 2.586 20 0 EFADHO CCC[C@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262690434 245123224 /nfs/dbraw/zinc/12/32/24/245123224.db2.gz ABUGFYNGJRMIMZ-DLZDZTESSA-N 1 3 329.488 2.816 20 0 EFADHO CCC[C@](C)(N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000262690434 245123229 /nfs/dbraw/zinc/12/32/29/245123229.db2.gz ABUGFYNGJRMIMZ-DLZDZTESSA-N 1 3 329.488 2.816 20 0 EFADHO CCC[C@](C)([NH3+])C(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000262702421 245131064 /nfs/dbraw/zinc/13/10/64/245131064.db2.gz JLEBAJQNHXPRCW-FQEVSTJZSA-N 1 3 347.503 2.541 20 0 EFADHO CN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418377358 245140251 /nfs/dbraw/zinc/14/02/51/245140251.db2.gz BLILTPVOPYTBCA-ACBHZAAOSA-N 1 3 344.503 2.562 20 0 EFADHO CCC[NH2+]CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418491667 245173769 /nfs/dbraw/zinc/17/37/69/245173769.db2.gz SLLDJWPUZYBYEZ-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO NC[C@@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc2ccccc2c1 ZINC000418498128 245175463 /nfs/dbraw/zinc/17/54/63/245175463.db2.gz JITQWYADZZEQEZ-RTBURBONSA-N 1 3 340.471 2.671 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418501275 245177434 /nfs/dbraw/zinc/17/74/34/245177434.db2.gz QNULWBMIJCDUET-KSSFIOAISA-N 1 3 328.460 2.656 20 0 EFADHO NC[C@H](NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000418502117 245177651 /nfs/dbraw/zinc/17/76/51/245177651.db2.gz UIZHWAVETQVLMX-JVPBZIDWSA-N 1 3 340.471 2.656 20 0 EFADHO NC[C@H](NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000418502116 245177730 /nfs/dbraw/zinc/17/77/30/245177730.db2.gz UIZHWAVETQVLMX-CCKFTAQKSA-N 1 3 340.471 2.656 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418432201 245155512 /nfs/dbraw/zinc/15/55/12/245155512.db2.gz YUTPVBPVDIWDQF-GOSISDBHSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000418436661 245156470 /nfs/dbraw/zinc/15/64/70/245156470.db2.gz CCSMTCUATLXULE-IEBWSBKVSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418443774 245159620 /nfs/dbraw/zinc/15/96/20/245159620.db2.gz NWDZEHQGTBXESD-ZWKOTPCHSA-N 1 3 328.460 2.512 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418446218 245160674 /nfs/dbraw/zinc/16/06/74/245160674.db2.gz ALDCOGPXXDUOQZ-OALUTQOASA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000418454062 245163893 /nfs/dbraw/zinc/16/38/93/245163893.db2.gz AQDGZXXEIZJZDT-OALUTQOASA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)N(CC)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000418587606 245203004 /nfs/dbraw/zinc/20/30/04/245203004.db2.gz DAAGPRCZLXLYAF-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc2c(c1)CNC2 ZINC000418585363 245203353 /nfs/dbraw/zinc/20/33/53/245203353.db2.gz PJNNICKWBJVGLX-UHFFFAOYSA-N 1 3 344.503 2.697 20 0 EFADHO C[C@@H](C[NH3+])NC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000418618816 245212616 /nfs/dbraw/zinc/21/26/16/245212616.db2.gz NSWAQPVCISOOMT-KRWDZBQOSA-N 1 3 344.503 2.564 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000418653884 245226942 /nfs/dbraw/zinc/22/69/42/245226942.db2.gz PHHWXTLQFOXVQE-VDZJLULYSA-N 1 3 344.503 2.517 20 0 EFADHO CCN(C(=O)N[C@@H](C)CCCC[NH3+])[C@H]1CCN(Cc2ccccc2)C1 ZINC000418664872 245236474 /nfs/dbraw/zinc/23/64/74/245236474.db2.gz BGCSZCSGYYSCMJ-HKUYNNGSSA-N 1 3 346.519 2.810 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708191 245254122 /nfs/dbraw/zinc/25/41/22/245254122.db2.gz CDIXORZYQITYOE-RBUKOAKNSA-N 1 3 346.519 2.797 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000418714355 245256726 /nfs/dbraw/zinc/25/67/26/245256726.db2.gz XYJQIWYWNWAVCA-QZTJIDSGSA-N 1 3 346.519 2.667 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418721527 245260654 /nfs/dbraw/zinc/26/06/54/245260654.db2.gz MGCZHGMWPAUNCE-MSOLQXFVSA-N 1 3 346.519 2.714 20 0 EFADHO [NH3+]CCC[C@@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000418679191 245242125 /nfs/dbraw/zinc/24/21/25/245242125.db2.gz TULUAPJEXMABRB-LJQANCHMSA-N 1 3 344.503 2.736 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418750672 245276128 /nfs/dbraw/zinc/27/61/28/245276128.db2.gz OYDZCOIGSOCYTE-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750742 245276496 /nfs/dbraw/zinc/27/64/96/245276496.db2.gz PHNMBJOKYXZTJE-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000420379560 245656329 /nfs/dbraw/zinc/65/63/29/245656329.db2.gz BCQSCUKHMJNLIX-SJLPKXTDSA-N 1 3 338.879 2.937 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000421709341 246074295 /nfs/dbraw/zinc/07/42/95/246074295.db2.gz DTAHUXDAAHFOAA-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccnc(OCCN(C)C)c2)CCCCC1 ZINC000421837644 246135786 /nfs/dbraw/zinc/13/57/86/246135786.db2.gz RQZGRJGXGQQIFQ-INIZCTEOSA-N 1 3 335.492 2.849 20 0 EFADHO COc1ccc([C@@H]([NH2+]CCN2CCN(C)C(C)(C)C2)C2CC2)c(F)c1 ZINC000421857809 246139769 /nfs/dbraw/zinc/13/97/69/246139769.db2.gz QGJQCJZVHUNTNF-IBGZPJMESA-N 1 3 349.494 2.901 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422137153 246266631 /nfs/dbraw/zinc/26/66/31/246266631.db2.gz PHUAEJQZFDANDK-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000422137153 246266637 /nfs/dbraw/zinc/26/66/37/246266637.db2.gz PHUAEJQZFDANDK-MOPGFXCFSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cc2)no1 ZINC000422562278 246385765 /nfs/dbraw/zinc/38/57/65/246385765.db2.gz PUIXYXYCHHFOBB-KEYYUXOJSA-N 1 3 344.459 2.762 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422711018 246424102 /nfs/dbraw/zinc/42/41/02/246424102.db2.gz MPGCDXXOCZLELL-SJLPKXTDSA-N 1 3 338.455 2.941 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCN1CCc2sccc2C1 ZINC000422742995 246440399 /nfs/dbraw/zinc/44/03/99/246440399.db2.gz SRDSHJURHZPDAL-ZDUSSCGKSA-N 1 3 330.501 2.619 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)Nc1cccc(OCC[NH+](C)C)c1 ZINC000422914886 246511432 /nfs/dbraw/zinc/51/14/32/246511432.db2.gz WJLSMZXINLUVNJ-AWEZNQCLSA-N 1 3 328.460 2.962 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000422917793 246513322 /nfs/dbraw/zinc/51/33/22/246513322.db2.gz HAMMLCSRDCAJIF-BNEJOLLZSA-N 1 3 338.879 2.854 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000422978431 246532558 /nfs/dbraw/zinc/53/25/58/246532558.db2.gz HDXHQZXELXIIJZ-UXHICEINSA-N 1 3 331.504 2.963 20 0 EFADHO OC[C@]1(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000423074004 246562967 /nfs/dbraw/zinc/56/29/67/246562967.db2.gz KLXRMSXWEWYKPW-USYVTKNRSA-N 1 3 332.463 2.802 20 0 EFADHO c1ccc(N2CCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423081092 246565249 /nfs/dbraw/zinc/56/52/49/246565249.db2.gz BCYAZBYZSGUSIT-AYWYSENESA-N 1 3 343.515 2.650 20 0 EFADHO CC[N@H+](CCC1CCN(Cc2cnc(N(C)C)n2C)CC1)CC1CC1 ZINC000425363313 247060621 /nfs/dbraw/zinc/06/06/21/247060621.db2.gz WTTYPYJIPRYLOZ-UHFFFAOYSA-N 1 3 347.551 2.820 20 0 EFADHO CC[N@@H+](CCC1CCN(Cc2cnc(N(C)C)n2C)CC1)CC1CC1 ZINC000425363313 247060627 /nfs/dbraw/zinc/06/06/27/247060627.db2.gz WTTYPYJIPRYLOZ-UHFFFAOYSA-N 1 3 347.551 2.820 20 0 EFADHO COCC(C)(C)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000426422180 247278909 /nfs/dbraw/zinc/27/89/09/247278909.db2.gz SXPHNRQWGXAAFM-IAGOWNOFSA-N 1 3 326.525 2.870 20 0 EFADHO C[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000427271817 247333190 /nfs/dbraw/zinc/33/31/90/247333190.db2.gz HCWBKIGLINEFEM-MOPGFXCFSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427275552 247333295 /nfs/dbraw/zinc/33/32/95/247333295.db2.gz MLZPHZDGUWSZER-GOSISDBHSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCC[NH2+]CC2)CN1Cc1ccccc1 ZINC000427270347 247333769 /nfs/dbraw/zinc/33/37/69/247333769.db2.gz STGJIONJJNHVEH-ZIFCJYIRSA-N 1 3 329.488 2.545 20 0 EFADHO CN(C(=O)C[C@H]1CCC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000427318901 247337401 /nfs/dbraw/zinc/33/74/01/247337401.db2.gz FQSGTEMYBNQSGK-SFHVURJKSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(CC)C(=O)[C@H](c1ccccc1)N1CCC(CC[NH2+]C)CC1 ZINC000262001081 284544144 /nfs/dbraw/zinc/54/41/44/284544144.db2.gz PTNCPQKNUPCNJO-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000427376770 247345050 /nfs/dbraw/zinc/34/50/50/247345050.db2.gz TYLSLXJZHOESQM-GOSISDBHSA-N 1 3 329.488 2.501 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434354857 248145239 /nfs/dbraw/zinc/14/52/39/248145239.db2.gz LBDQZUXBSZUBSJ-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434354857 248145240 /nfs/dbraw/zinc/14/52/40/248145240.db2.gz LBDQZUXBSZUBSJ-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000434353764 248145303 /nfs/dbraw/zinc/14/53/03/248145303.db2.gz XPBQIGPXJOFXJS-SFHVURJKSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434353763 248145580 /nfs/dbraw/zinc/14/55/80/248145580.db2.gz XPBQIGPXJOFXJS-GOSISDBHSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCCN1C1CC1)C(C)C ZINC000433925677 248104349 /nfs/dbraw/zinc/10/43/49/248104349.db2.gz HNHUWRHLXGGGNH-SFHVURJKSA-N 1 3 338.540 2.811 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN(C)CC(C)(C)C[NH3+] ZINC000435374839 248232797 /nfs/dbraw/zinc/23/27/97/248232797.db2.gz YWNKJCZSKGJELT-UHFFFAOYSA-N 1 3 334.416 2.645 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CC(C)(C)CN ZINC000435374839 248232799 /nfs/dbraw/zinc/23/27/99/248232799.db2.gz YWNKJCZSKGJELT-UHFFFAOYSA-N 1 3 334.416 2.645 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CC(C)(C)CN ZINC000435374839 248232804 /nfs/dbraw/zinc/23/28/04/248232804.db2.gz YWNKJCZSKGJELT-UHFFFAOYSA-N 1 3 334.416 2.645 20 0 EFADHO CCN(Cc1cc(C)c(OCC(=O)OC)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435395723 248235395 /nfs/dbraw/zinc/23/53/95/248235395.db2.gz VATXKEYQDNVSLA-SFHVURJKSA-N 1 3 348.487 2.819 20 0 EFADHO Cc1ccc(-c2ncc(C[NH2+]CCN3CCN(C)C(C)(C)C3)s2)o1 ZINC000441345288 250021835 /nfs/dbraw/zinc/02/18/35/250021835.db2.gz KMTOEMSTSVUFQX-UHFFFAOYSA-N 1 3 348.516 2.827 20 0 EFADHO CCN(CCC(=O)OC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092380147 218138619 /nfs/dbraw/zinc/13/86/19/218138619.db2.gz BIBJNYGNBQAOAF-UHFFFAOYSA-N 1 3 347.503 2.602 20 0 EFADHO C[C@@H]1C[C@@H](C[NH3+])CN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767075 250113725 /nfs/dbraw/zinc/11/37/25/250113725.db2.gz LZFGPXVWZNPKII-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767075 250113729 /nfs/dbraw/zinc/11/37/29/250113729.db2.gz LZFGPXVWZNPKII-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767075 250113733 /nfs/dbraw/zinc/11/37/33/250113733.db2.gz LZFGPXVWZNPKII-NEPJUHHUSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767076 250114800 /nfs/dbraw/zinc/11/48/00/250114800.db2.gz LZFGPXVWZNPKII-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H]1C[C@H](CN)C[N@@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767076 250114801 /nfs/dbraw/zinc/11/48/01/250114801.db2.gz LZFGPXVWZNPKII-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO C[C@H]1C[C@H](CN)C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000442767076 250114803 /nfs/dbraw/zinc/11/48/03/250114803.db2.gz LZFGPXVWZNPKII-NWDGAFQWSA-N 1 3 329.366 2.703 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000442778539 250116297 /nfs/dbraw/zinc/11/62/97/250116297.db2.gz HDCHCMOWRFFBNY-SLYNCCJLSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000442778539 250116303 /nfs/dbraw/zinc/11/63/03/250116303.db2.gz HDCHCMOWRFFBNY-SLYNCCJLSA-N 1 3 343.515 2.875 20 0 EFADHO O=C(NCCN1CCCC1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000442900254 250139089 /nfs/dbraw/zinc/13/90/89/250139089.db2.gz RGTNQVFCLKPHBP-TZIWHRDSSA-N 1 3 341.499 2.501 20 0 EFADHO O=C(NCCN1CCCC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442900254 250139093 /nfs/dbraw/zinc/13/90/93/250139093.db2.gz RGTNQVFCLKPHBP-TZIWHRDSSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443054881 250154222 /nfs/dbraw/zinc/15/42/22/250154222.db2.gz ARMSHVDLELQYTK-SOUVJXGZSA-N 1 3 337.895 2.967 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC[C@H](CC[NH3+])C1 ZINC000443057873 250154699 /nfs/dbraw/zinc/15/46/99/250154699.db2.gz IMLMSQWPCJHDDN-QWHCGFSZSA-N 1 3 341.402 2.676 20 0 EFADHO CCCCOc1cccc(CNC(=O)CN2CCC[C@H](CC[NH3+])C2)c1 ZINC000443056534 250154964 /nfs/dbraw/zinc/15/49/64/250154964.db2.gz CVXXRAOEEJSYCU-QGZVFWFLSA-N 1 3 347.503 2.543 20 0 EFADHO CN(C(=O)CN1CCC[C@H](CC[NH3+])C1)[C@@H]1CCCc2ccccc21 ZINC000443069795 250156948 /nfs/dbraw/zinc/15/69/48/250156948.db2.gz KNLILSAJTRIFGW-VQIMIIECSA-N 1 3 329.488 2.583 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443066100 250157778 /nfs/dbraw/zinc/15/77/78/250157778.db2.gz DJZITMAMWCEQAP-JZXOWHBKSA-N 1 3 331.504 2.876 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000443646814 250217168 /nfs/dbraw/zinc/21/71/68/250217168.db2.gz DMUPUGDLOUQTLN-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000444665810 250326755 /nfs/dbraw/zinc/32/67/55/250326755.db2.gz VGASTNOCKPNIII-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000444665810 250326758 /nfs/dbraw/zinc/32/67/58/250326758.db2.gz VGASTNOCKPNIII-NZSAHSFTSA-N 1 3 331.504 2.916 20 0 EFADHO COc1ccc(C2([NH2+]CC[C@@H]3CCCN3C)CCOCC2)cc1F ZINC000444805907 250352050 /nfs/dbraw/zinc/35/20/50/250352050.db2.gz VEIHXYHGXDSRRQ-INIZCTEOSA-N 1 3 336.451 2.914 20 0 EFADHO C[C@H](CNC(=O)NCCN1CCCC(C)(C)C1)C[NH+]1CCCCC1 ZINC000445261283 250399667 /nfs/dbraw/zinc/39/96/67/250399667.db2.gz GRASKIJPSUPCGN-QGZVFWFLSA-N 1 3 338.540 2.530 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000262021315 284771536 /nfs/dbraw/zinc/77/15/36/284771536.db2.gz ALYAGNBMBDLYEQ-DOMZBBRYSA-N 1 3 345.409 2.799 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C)C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000262021321 284820097 /nfs/dbraw/zinc/82/00/97/284820097.db2.gz ALYAGNBMBDLYEQ-SWLSCSKDSA-N 1 3 345.409 2.799 20 0 EFADHO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449397830 251012600 /nfs/dbraw/zinc/01/26/00/251012600.db2.gz RWKZECMBRQWMQW-FQEVSTJZSA-N 1 3 347.547 2.581 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000267406258 251029213 /nfs/dbraw/zinc/02/92/13/251029213.db2.gz ZLNXRLDNUHGFRS-LMMKCTJWSA-N 1 3 346.519 2.536 20 0 EFADHO CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3C)C2)CC1 ZINC000449508950 251047217 /nfs/dbraw/zinc/04/72/17/251047217.db2.gz VPJHJPGZGHQJRS-FQEVSTJZSA-N 1 3 343.515 2.761 20 0 EFADHO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3C)C2)CC1 ZINC000449508950 251047220 /nfs/dbraw/zinc/04/72/20/251047220.db2.gz VPJHJPGZGHQJRS-FQEVSTJZSA-N 1 3 343.515 2.761 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 ZINC000449656436 251097494 /nfs/dbraw/zinc/09/74/94/251097494.db2.gz KWCRXNQIGMJTBQ-KURKYZTESA-N 1 3 334.508 2.843 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449683440 251115252 /nfs/dbraw/zinc/11/52/52/251115252.db2.gz NOTXVCSYMLSEJI-SFHVURJKSA-N 1 3 331.504 2.735 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449727514 251131635 /nfs/dbraw/zinc/13/16/35/251131635.db2.gz QHSNOJHEYZHNAH-UHFFFAOYSA-N 1 3 333.520 2.715 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000449727588 251131755 /nfs/dbraw/zinc/13/17/55/251131755.db2.gz QQWOKYWILLVPEO-UXPWSPDFSA-N 1 3 343.515 2.573 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000449707546 251125535 /nfs/dbraw/zinc/12/55/35/251125535.db2.gz RKWWWMKHNDYGJT-FUHWJXTLSA-N 1 3 347.478 2.542 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000449851471 251176448 /nfs/dbraw/zinc/17/64/48/251176448.db2.gz VRSKWWTZIYXQNB-VQIMIIECSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC000449851471 251176451 /nfs/dbraw/zinc/17/64/51/251176451.db2.gz VRSKWWTZIYXQNB-VQIMIIECSA-N 1 3 333.520 2.917 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000449994995 251224320 /nfs/dbraw/zinc/22/43/20/251224320.db2.gz VLUIHYJKMIENJC-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CCCc1ccc2[nH+]ccc(NC[C@@H](C)N3CCN(C)CC3)c2c1 ZINC000450307460 251337895 /nfs/dbraw/zinc/33/78/95/251337895.db2.gz YHQBGXOMQMUGNU-MRXNPFEDSA-N 1 3 326.488 2.657 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)CN1C1CC1 ZINC000153252424 224080040 /nfs/dbraw/zinc/08/00/40/224080040.db2.gz PPOLYNDJDWODSH-FXAWDEMLSA-N 1 3 327.516 2.908 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)[C@H](C)OC)cc1OC ZINC000268773799 252224016 /nfs/dbraw/zinc/22/40/16/252224016.db2.gz AMKDZAKJSRGXNM-HOTGVXAUSA-N 1 3 338.492 2.929 20 0 EFADHO CC(C)[N@H+](C)CCCN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772285 252221630 /nfs/dbraw/zinc/22/16/30/252221630.db2.gz QDRLISAFAVBAPV-CYBMUJFWSA-N 1 3 326.872 2.772 20 0 EFADHO CC(C)[N@@H+](C)CCCN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772285 252221635 /nfs/dbraw/zinc/22/16/35/252221635.db2.gz QDRLISAFAVBAPV-CYBMUJFWSA-N 1 3 326.872 2.772 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000268772285 252221639 /nfs/dbraw/zinc/22/16/39/252221639.db2.gz QDRLISAFAVBAPV-CYBMUJFWSA-N 1 3 326.872 2.772 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268816808 252267584 /nfs/dbraw/zinc/26/75/84/252267584.db2.gz MPRUGKWNKGSDKM-GOSISDBHSA-N 1 3 341.503 2.551 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268832718 252281686 /nfs/dbraw/zinc/28/16/86/252281686.db2.gz XBKUAAUPDYGGDG-HOTGVXAUSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454502224 252285629 /nfs/dbraw/zinc/28/56/29/252285629.db2.gz SKRYOVRRGMHOAH-SFHVURJKSA-N 1 3 338.540 2.816 20 0 EFADHO CC[C@H](COC)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000268876056 252324258 /nfs/dbraw/zinc/32/42/58/252324258.db2.gz QOXQQOMLHGIXFW-QGZVFWFLSA-N 1 3 338.492 2.930 20 0 EFADHO CC[NH+]1CCC(NC(=O)CNC2(c3cccc(C)c3)CCCC2)CC1 ZINC000411369900 285189034 /nfs/dbraw/zinc/18/90/34/285189034.db2.gz ZBFGLJXGPWHAMO-UHFFFAOYSA-N 1 3 343.515 2.954 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000352636190 285245019 /nfs/dbraw/zinc/24/50/19/285245019.db2.gz DYTCECVTSKRVAW-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000352636190 285245022 /nfs/dbraw/zinc/24/50/22/285245022.db2.gz DYTCECVTSKRVAW-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc2cc([C@@H](C)[NH2+]CC3(O)CCN(C)CC3)ccc2c1 ZINC000269064710 255523428 /nfs/dbraw/zinc/52/34/28/255523428.db2.gz VDEISCLMZFOSDH-OAHLLOKOSA-N 1 3 328.456 2.956 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151740 285290414 /nfs/dbraw/zinc/29/04/14/285290414.db2.gz YMEHOFCMQNNJSP-HIFRSBDPSA-N 1 3 342.405 2.918 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCN[C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449151740 285290416 /nfs/dbraw/zinc/29/04/16/285290416.db2.gz YMEHOFCMQNNJSP-HIFRSBDPSA-N 1 3 342.405 2.918 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457643981 255706804 /nfs/dbraw/zinc/70/68/04/255706804.db2.gz WRJLXDKQFNHSBI-UHFFFAOYSA-N 1 3 346.519 2.599 20 0 EFADHO CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000468354929 256015877 /nfs/dbraw/zinc/01/58/77/256015877.db2.gz AFJUQENTDRABRN-LJQANCHMSA-N 1 3 348.535 2.971 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000118785154 221181629 /nfs/dbraw/zinc/18/16/29/221181629.db2.gz BARZTGCAPAVHIQ-AWEZNQCLSA-N 1 3 331.460 2.955 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000118785154 221181631 /nfs/dbraw/zinc/18/16/31/221181631.db2.gz BARZTGCAPAVHIQ-AWEZNQCLSA-N 1 3 331.460 2.955 20 0 EFADHO C[C@H](C(=O)N1CCc2sccc2C1)N1CCC(CC[NH+](C)C)CC1 ZINC000118868487 221199557 /nfs/dbraw/zinc/19/95/57/221199557.db2.gz QVXUDRXYXGNWJN-OAHLLOKOSA-N 1 3 349.544 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000355205974 285339276 /nfs/dbraw/zinc/33/92/76/285339276.db2.gz VASRGCOXJOJLPE-HXUWFJFHSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000355205974 285339278 /nfs/dbraw/zinc/33/92/78/285339278.db2.gz VASRGCOXJOJLPE-HXUWFJFHSA-N 1 3 331.504 2.829 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928624 285370401 /nfs/dbraw/zinc/37/04/01/285370401.db2.gz BXDZYAXBJYEIGB-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928624 285370402 /nfs/dbraw/zinc/37/04/02/285370402.db2.gz BXDZYAXBJYEIGB-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928624 285370403 /nfs/dbraw/zinc/37/04/03/285370403.db2.gz BXDZYAXBJYEIGB-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C1 ZINC000420928624 285370404 /nfs/dbraw/zinc/37/04/04/285370404.db2.gz BXDZYAXBJYEIGB-GHTZIAJQSA-N 1 3 345.531 2.681 20 0 EFADHO C[C@@H](NCc1ccc(C(N)=O)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000154668976 533443992 /nfs/dbraw/zinc/44/39/92/533443992.db2.gz AVHSIIKOFALYSB-OAHLLOKOSA-N 1 3 341.455 2.577 20 0 EFADHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc2c(c1)CCO2 ZINC000179509582 533464986 /nfs/dbraw/zinc/46/49/86/533464986.db2.gz XIERTERWGWFESW-OAHLLOKOSA-N 1 3 341.455 2.808 20 0 EFADHO COc1ccc(C[N@H+](C)CCCN2CCN(C(C)C)CC2)cc1C ZINC000191478273 533538159 /nfs/dbraw/zinc/53/81/59/533538159.db2.gz RORJHDLXJQMHRM-UHFFFAOYSA-N 1 3 333.520 2.852 20 0 EFADHO COc1ccc(C[N@@H+](C)CCCN2CCN(C(C)C)CC2)cc1C ZINC000191478273 533538166 /nfs/dbraw/zinc/53/81/66/533538166.db2.gz RORJHDLXJQMHRM-UHFFFAOYSA-N 1 3 333.520 2.852 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000164585206 533645496 /nfs/dbraw/zinc/64/54/96/533645496.db2.gz XIPZEZPWPAANMR-QAPCUYQASA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164585206 533645504 /nfs/dbraw/zinc/64/55/04/533645504.db2.gz XIPZEZPWPAANMR-QAPCUYQASA-N 1 3 349.544 2.758 20 0 EFADHO CSCC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000166424467 533646792 /nfs/dbraw/zinc/64/67/92/533646792.db2.gz XWHFPIAAVDXYAQ-SFHVURJKSA-N 1 3 349.544 2.615 20 0 EFADHO CCN(CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000245388687 141383411 /nfs/dbraw/zinc/38/34/11/141383411.db2.gz DYOKKWLZCHXCTG-IAGOWNOFSA-N 1 3 338.540 2.528 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261647062 292072100 /nfs/dbraw/zinc/07/21/00/292072100.db2.gz JEOGJTORIWNIKW-GBESFXJTSA-N 1 3 329.488 2.625 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC000343537258 142014277 /nfs/dbraw/zinc/01/42/77/142014277.db2.gz LOFBYJSCMWYPOC-WBVHZDCISA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@H]1C ZINC000343537258 142014278 /nfs/dbraw/zinc/01/42/78/142014278.db2.gz LOFBYJSCMWYPOC-WBVHZDCISA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@@H]1C ZINC000343537256 142014362 /nfs/dbraw/zinc/01/43/62/142014362.db2.gz LOFBYJSCMWYPOC-RDJZCZTQSA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(OC)cc2)C[C@@H]1C ZINC000343537256 142014363 /nfs/dbraw/zinc/01/43/63/142014363.db2.gz LOFBYJSCMWYPOC-RDJZCZTQSA-N 1 3 333.476 2.828 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344722513 142067426 /nfs/dbraw/zinc/06/74/26/142067426.db2.gz ZYZJDECWARXFJN-MRXNPFEDSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[N@H+](C2CCC2)C1 ZINC000344722513 142067427 /nfs/dbraw/zinc/06/74/27/142067427.db2.gz ZYZJDECWARXFJN-MRXNPFEDSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000344775030 142076265 /nfs/dbraw/zinc/07/62/65/142076265.db2.gz KPQPJZSQADQVJI-MJGOQNOKSA-N 1 3 346.519 2.805 20 0 EFADHO CCCN1CCC([NH2+]C[C@H]2OCCN(CC)[C@H]2c2ccccc2)CC1 ZINC000344838191 142085501 /nfs/dbraw/zinc/08/55/01/142085501.db2.gz AHHKVZDGIOMSCE-RTWAWAEBSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1)[NH+](CC)CC ZINC000345982989 142128278 /nfs/dbraw/zinc/12/82/78/142128278.db2.gz WTMZDJXEYSCCRQ-RTBURBONSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000346034936 142137124 /nfs/dbraw/zinc/13/71/24/142137124.db2.gz KCYKDLPFZPQZRP-IEBWSBKVSA-N 1 3 348.535 2.782 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346272965 142181038 /nfs/dbraw/zinc/18/10/38/142181038.db2.gz FZKLGQAJELIOJE-NZSAHSFTSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000346339259 142191931 /nfs/dbraw/zinc/19/19/31/142191931.db2.gz PIXZEFXYGCNLER-CEXWTWQISA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000346339259 142191933 /nfs/dbraw/zinc/19/19/33/142191933.db2.gz PIXZEFXYGCNLER-CEXWTWQISA-N 1 3 343.515 2.982 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@@H+]1C ZINC000346387009 142197367 /nfs/dbraw/zinc/19/73/67/142197367.db2.gz ZDXFDIGYVKYWNU-KGLIPLIRSA-N 1 3 329.444 2.707 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2oc3ccccc3c2CN(C)C)CC[N@H+]1C ZINC000346387009 142197368 /nfs/dbraw/zinc/19/73/68/142197368.db2.gz ZDXFDIGYVKYWNU-KGLIPLIRSA-N 1 3 329.444 2.707 20 0 EFADHO CC1CCC(N2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000347514451 142229156 /nfs/dbraw/zinc/22/91/56/142229156.db2.gz JWVIGINNOZLBIX-UHFFFAOYSA-N 1 3 327.472 2.626 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347517371 142229554 /nfs/dbraw/zinc/22/95/54/142229554.db2.gz HNDHLLZQTDXCAW-HNNXBMFYSA-N 1 3 329.488 2.920 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347517371 142229556 /nfs/dbraw/zinc/22/95/56/142229556.db2.gz HNDHLLZQTDXCAW-HNNXBMFYSA-N 1 3 329.488 2.920 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)CNC2 ZINC000347533088 142231916 /nfs/dbraw/zinc/23/19/16/142231916.db2.gz OSQIFUXUNIVSJL-UHFFFAOYSA-N 1 3 327.472 2.817 20 0 EFADHO O=C(NC1CC[NH+](CCc2ccccc2)CC1)c1ccc2c(c1)CNC2 ZINC000347536228 142232331 /nfs/dbraw/zinc/23/23/31/142232331.db2.gz ZSOXDRVRSBYFQM-UHFFFAOYSA-N 1 3 349.478 2.727 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H](C)N1CCC[C@@H](C)C1)C(C)C ZINC000347667659 142254022 /nfs/dbraw/zinc/25/40/22/142254022.db2.gz KWTQCGSLIALHNI-MSOLQXFVSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@@H](C)N1CCC[C@H](C)C1)C(C)C ZINC000347668809 142254466 /nfs/dbraw/zinc/25/44/66/142254466.db2.gz KWTQCGSLIALHNI-ZWKOTPCHSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)[NH+](CCCNC(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000347693301 142257596 /nfs/dbraw/zinc/25/75/96/142257596.db2.gz PSHNLLVZRLLDME-SFHVURJKSA-N 1 3 340.556 2.915 20 0 EFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000349318243 142319746 /nfs/dbraw/zinc/31/97/46/142319746.db2.gz QZLSECVANBASIC-QGZVFWFLSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@H+]1C1CCN(C)CC1 ZINC000349318243 142319747 /nfs/dbraw/zinc/31/97/47/142319747.db2.gz QZLSECVANBASIC-QGZVFWFLSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@@H]1CN(Cc2ccc3ncccc3c2)CCN1C1CC[NH+](C)CC1 ZINC000349318243 142319748 /nfs/dbraw/zinc/31/97/48/142319748.db2.gz QZLSECVANBASIC-QGZVFWFLSA-N 1 3 338.499 2.835 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000349662355 142345442 /nfs/dbraw/zinc/34/54/42/142345442.db2.gz HUGKDLJWXIZTPI-INIZCTEOSA-N 1 3 337.439 2.547 20 0 EFADHO CC[NH+](CC)CCOCCN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000349693263 142348581 /nfs/dbraw/zinc/34/85/81/142348581.db2.gz MQCZYZGNGNFZJJ-OAHLLOKOSA-N 1 3 347.503 2.925 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC1CCN(C2CC2)CC1 ZINC000350109229 142399530 /nfs/dbraw/zinc/39/95/30/142399530.db2.gz FWKFFALFHLZHHJ-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CCCN1CCC([N@H+](C)Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000341183201 145007785 /nfs/dbraw/zinc/00/77/85/145007785.db2.gz VWTNYPMSNFDZKV-UHFFFAOYSA-N 1 3 334.460 2.545 20 0 EFADHO CCCN1CCC([N@@H+](C)Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000341183201 145007786 /nfs/dbraw/zinc/00/77/86/145007786.db2.gz VWTNYPMSNFDZKV-UHFFFAOYSA-N 1 3 334.460 2.545 20 0 EFADHO C[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CCN1C ZINC000341286325 145026482 /nfs/dbraw/zinc/02/64/82/145026482.db2.gz QYUXCCRKGZDBTO-OXJNMPFZSA-N 1 3 333.495 2.905 20 0 EFADHO C[C@H](C(=O)NC[C@H](C)C[NH+](C)C)N1CCC(Cc2ccccc2)CC1 ZINC000341289693 145026989 /nfs/dbraw/zinc/02/69/89/145026989.db2.gz MIYOFEDBEGUXGW-ZWKOTPCHSA-N 1 3 345.531 2.644 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318496 145032257 /nfs/dbraw/zinc/03/22/57/145032257.db2.gz FZRVPEUBVQCNFM-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)C(C)C ZINC000341318496 145032259 /nfs/dbraw/zinc/03/22/59/145032259.db2.gz FZRVPEUBVQCNFM-IEBWSBKVSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000341349957 145037786 /nfs/dbraw/zinc/03/77/86/145037786.db2.gz XBXKAUQQFBHISR-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000341349956 145038005 /nfs/dbraw/zinc/03/80/05/145038005.db2.gz XBXKAUQQFBHISR-KRWDZBQOSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCOCCN(C)C ZINC000342161996 145073450 /nfs/dbraw/zinc/07/34/50/145073450.db2.gz MGWOMRSCIBGRLV-LBPRGKRZSA-N 1 3 347.272 2.687 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CCC[NH2+][C@@H]1C)N1CCc2ccccc2C1 ZINC000342698476 145174934 /nfs/dbraw/zinc/17/49/34/145174934.db2.gz UILVRPCFDIFUDC-UXPWSPDFSA-N 1 3 343.515 2.574 20 0 EFADHO CN(C[C@@H]1CCCN(C)C1)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342699856 145174970 /nfs/dbraw/zinc/17/49/70/145174970.db2.gz WCDWACBBECCHAK-GOSISDBHSA-N 1 3 343.515 2.643 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)(C)C ZINC000342862393 145211427 /nfs/dbraw/zinc/21/14/27/145211427.db2.gz SSFZQTWBQYVMLI-DLBZAZTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)C[C@H](C)C(C)(C)C ZINC000342862393 145211429 /nfs/dbraw/zinc/21/14/29/145211429.db2.gz SSFZQTWBQYVMLI-DLBZAZTESA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H]1C[N@H+](Cc2ccccc2N2CCN(CC)CC2)CCCO1 ZINC000343677996 145269412 /nfs/dbraw/zinc/26/94/12/145269412.db2.gz MYQZIQSXMNGYHL-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO CC[C@@H]1C[N@@H+](Cc2ccccc2N2CCN(CC)CC2)CCCO1 ZINC000343677996 145269414 /nfs/dbraw/zinc/26/94/14/145269414.db2.gz MYQZIQSXMNGYHL-LJQANCHMSA-N 1 3 331.504 2.829 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000343706504 145276083 /nfs/dbraw/zinc/27/60/83/145276083.db2.gz ACENBBBJAUZRFT-QRWLVFNGSA-N 1 3 331.479 2.913 20 0 EFADHO C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CC[N@H+]1C1CCN(C)CC1 ZINC000343706504 145276086 /nfs/dbraw/zinc/27/60/86/145276086.db2.gz ACENBBBJAUZRFT-QRWLVFNGSA-N 1 3 331.479 2.913 20 0 EFADHO CC[C@@H]1CN(CCOCC[N@H+]2CCS[C@H](CC)C2)CCS1 ZINC000343741136 145283567 /nfs/dbraw/zinc/28/35/67/145283567.db2.gz NEDGFHUDSQILBQ-HZPDHXFCSA-N 1 3 332.579 2.658 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343763438 145289180 /nfs/dbraw/zinc/28/91/80/145289180.db2.gz LKXRKIBOPOKUTF-HBFSDRIKSA-N 1 3 337.552 2.682 20 0 EFADHO C[C@@H]1CCCC[C@@H]1OCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343763438 145289181 /nfs/dbraw/zinc/28/91/81/145289181.db2.gz LKXRKIBOPOKUTF-HBFSDRIKSA-N 1 3 337.552 2.682 20 0 EFADHO Cc1cccn2c(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)cnc12 ZINC000343779881 145292684 /nfs/dbraw/zinc/29/26/84/145292684.db2.gz LGZBOIZIYBVNDX-IAGOWNOFSA-N 1 3 330.476 2.622 20 0 EFADHO Cc1nc2ccccn2c1C[NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000343790315 145295765 /nfs/dbraw/zinc/29/57/65/145295765.db2.gz SGRAKUZQNBUHGZ-IYBDPMFKSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000343826595 145302667 /nfs/dbraw/zinc/30/26/67/145302667.db2.gz DQSXRKBXTBPDAJ-BMFAXAFESA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000343826595 145302670 /nfs/dbraw/zinc/30/26/70/145302670.db2.gz DQSXRKBXTBPDAJ-BMFAXAFESA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871894 145313746 /nfs/dbraw/zinc/31/37/46/145313746.db2.gz IWVHQRAFINKZPA-UTKZUKDTSA-N 1 3 327.516 2.633 20 0 EFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(Br)s1 ZINC000344032270 145350787 /nfs/dbraw/zinc/35/07/87/145350787.db2.gz PTTTWQSHPXMJIN-UHFFFAOYSA-N 1 3 348.354 2.826 20 0 EFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(Br)s1 ZINC000344032270 145350789 /nfs/dbraw/zinc/35/07/89/145350789.db2.gz PTTTWQSHPXMJIN-UHFFFAOYSA-N 1 3 348.354 2.826 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccco1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344034382 145351512 /nfs/dbraw/zinc/35/15/12/145351512.db2.gz NZDZJAPJPSARSQ-BBWFWOEESA-N 1 3 335.492 2.821 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccco1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344034382 145351515 /nfs/dbraw/zinc/35/15/15/145351515.db2.gz NZDZJAPJPSARSQ-BBWFWOEESA-N 1 3 335.492 2.821 20 0 EFADHO CCCCO[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C1(C)C ZINC000344101605 145368799 /nfs/dbraw/zinc/36/87/99/145368799.db2.gz MNOOMKJOGBAYIP-RCCFBDPRSA-N 1 3 326.525 2.653 20 0 EFADHO CCOc1c(OC)cc(CN2CCC(CC[NH2+]C)CC2)cc1OC ZINC000346685242 145695134 /nfs/dbraw/zinc/69/51/34/145695134.db2.gz QMYIRFJMHHEAOR-UHFFFAOYSA-N 1 3 336.476 2.924 20 0 EFADHO CN(C)CCOc1cc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)ccn1 ZINC000348269648 145914505 /nfs/dbraw/zinc/91/45/05/145914505.db2.gz VHOMDOQNZAJXFR-RBUKOAKNSA-N 1 3 325.456 2.915 20 0 EFADHO CCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1OC ZINC000349022813 146038360 /nfs/dbraw/zinc/03/83/60/146038360.db2.gz DVHPLBOTTPDQMD-UHFFFAOYSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)cc1OC ZINC000349034722 146040206 /nfs/dbraw/zinc/04/02/06/146040206.db2.gz FPRIHWNUFFCDSR-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)cc1OC ZINC000349034722 146040208 /nfs/dbraw/zinc/04/02/08/146040208.db2.gz FPRIHWNUFFCDSR-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc2c1OC(C)(C)C2 ZINC000349038021 146041243 /nfs/dbraw/zinc/04/12/43/146041243.db2.gz UQQKWSXFLSOETE-UHFFFAOYSA-N 1 3 345.531 2.858 20 0 EFADHO C[C@H]1CN(Cc2cccc3cc[nH]c32)CC[N@@H+]1C1CCN(C)CC1 ZINC000349315611 146078149 /nfs/dbraw/zinc/07/81/49/146078149.db2.gz LPUBREXVUJFLBU-INIZCTEOSA-N 1 3 326.488 2.768 20 0 EFADHO C[C@H]1CN(Cc2cccc3cc[nH]c32)CC[N@H+]1C1CCN(C)CC1 ZINC000349315611 146078151 /nfs/dbraw/zinc/07/81/51/146078151.db2.gz LPUBREXVUJFLBU-INIZCTEOSA-N 1 3 326.488 2.768 20 0 EFADHO C[C@@H](Cc1nc(-c2ccc(CN(C)C)cc2)no1)[C@H]1CCC[NH2+]C1 ZINC000350780562 146090144 /nfs/dbraw/zinc/09/01/44/146090144.db2.gz DQUAHAWBAMSRIC-YOEHRIQHSA-N 1 3 328.460 2.976 20 0 EFADHO C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000350953896 146103605 /nfs/dbraw/zinc/10/36/05/146103605.db2.gz XLYZKPGYRRGRCR-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccco1 ZINC000351059578 146108100 /nfs/dbraw/zinc/10/81/00/146108100.db2.gz BVUSGQWJBGORNN-HZMVEIRTSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccco1 ZINC000351059578 146108102 /nfs/dbraw/zinc/10/81/02/146108102.db2.gz BVUSGQWJBGORNN-HZMVEIRTSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000351059581 146108350 /nfs/dbraw/zinc/10/83/50/146108350.db2.gz BVUSGQWJBGORNN-YLFCFFPRSA-N 1 3 348.491 2.635 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccco1 ZINC000351059581 146108352 /nfs/dbraw/zinc/10/83/52/146108352.db2.gz BVUSGQWJBGORNN-YLFCFFPRSA-N 1 3 348.491 2.635 20 0 EFADHO C[NH+]1CCC(CCO)(NCc2cccc(-c3ccncc3)c2)CC1 ZINC000351499032 146131993 /nfs/dbraw/zinc/13/19/93/146131993.db2.gz CKUMHSPXLUJKSH-UHFFFAOYSA-N 1 3 325.456 2.685 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@@H]12 ZINC000351501449 146132559 /nfs/dbraw/zinc/13/25/59/146132559.db2.gz YBTSKMLEKZIDAT-NWANDNLSSA-N 1 3 332.835 2.602 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000351579917 146151021 /nfs/dbraw/zinc/15/10/21/146151021.db2.gz HMZKPZGOMPMPHI-NQYYFHDYSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)N(C)C ZINC000351579917 146151023 /nfs/dbraw/zinc/15/10/23/146151023.db2.gz HMZKPZGOMPMPHI-NQYYFHDYSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](CCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000352086047 146285871 /nfs/dbraw/zinc/28/58/71/146285871.db2.gz YUCUZTWDYWZKGF-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000352096983 146288023 /nfs/dbraw/zinc/28/80/23/146288023.db2.gz HBQWNPFQEIHQFS-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1CC[NH+](C)CC1)N(C)C ZINC000352827628 146326157 /nfs/dbraw/zinc/32/61/57/146326157.db2.gz MDPKOUNXEYIEQA-QFBILLFUSA-N 1 3 346.519 2.627 20 0 EFADHO CCOC(=O)CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830995 146327183 /nfs/dbraw/zinc/32/71/83/146327183.db2.gz LFIMXGKOAHTMTH-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO CCOC(=O)CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830995 146327187 /nfs/dbraw/zinc/32/71/87/146327187.db2.gz LFIMXGKOAHTMTH-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353110161 146398232 /nfs/dbraw/zinc/39/82/32/146398232.db2.gz JYVRAWCLPYENDC-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000353110161 146398234 /nfs/dbraw/zinc/39/82/34/146398234.db2.gz JYVRAWCLPYENDC-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000353432527 146477616 /nfs/dbraw/zinc/47/76/16/146477616.db2.gz SJKUTDONBZXSMT-WOJBJXKFSA-N 1 3 343.515 2.923 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)N2CCCC2)cc1 ZINC000353471564 146488325 /nfs/dbraw/zinc/48/83/25/146488325.db2.gz SBVKXIHXACVBKI-UFYCRDLUSA-N 1 3 343.515 2.882 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)C(C)C ZINC000355931840 147101902 /nfs/dbraw/zinc/10/19/02/147101902.db2.gz CLKQNFJWNWBHQB-MSOLQXFVSA-N 1 3 340.556 2.867 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCN1C ZINC000356057301 147134371 /nfs/dbraw/zinc/13/43/71/147134371.db2.gz IVWBBFVJOBVDIZ-DOTOQJQBSA-N 1 3 336.524 2.565 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000356216028 147177826 /nfs/dbraw/zinc/17/78/26/147177826.db2.gz JGHVFBLMVGQJJU-IBGZPJMESA-N 1 3 346.519 2.934 20 0 EFADHO CSc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000356308790 147207068 /nfs/dbraw/zinc/20/70/68/147207068.db2.gz UOXLXRMQTFKBHO-UHFFFAOYSA-N 1 3 327.563 2.928 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000356614079 147290639 /nfs/dbraw/zinc/29/06/39/147290639.db2.gz SVGDJCLVUMLIKU-GBESFXJTSA-N 1 3 346.519 2.700 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794574 147337626 /nfs/dbraw/zinc/33/76/26/147337626.db2.gz HHOREVZCIIKJHA-AEFFLSMTSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000356794574 147337628 /nfs/dbraw/zinc/33/76/28/147337628.db2.gz HHOREVZCIIKJHA-AEFFLSMTSA-N 1 3 349.494 2.883 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@H]1CCCOC1 ZINC000356884211 147362451 /nfs/dbraw/zinc/36/24/51/147362451.db2.gz WHHOKHSLVZLECZ-APWZRJJASA-N 1 3 332.488 2.548 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000356891610 147364305 /nfs/dbraw/zinc/36/43/05/147364305.db2.gz GZHHFXHQZRCVPF-WIYYLYMNSA-N 1 3 345.531 2.729 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)NC2CCC([NH+](C)C)CC2)cc1 ZINC000353668753 292171108 /nfs/dbraw/zinc/17/11/08/292171108.db2.gz AJZFHIUQFRJAAC-KLAILNCOSA-N 1 3 338.517 2.620 20 0 EFADHO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCC(N(C)C)CC2)cc1 ZINC000353668753 292171110 /nfs/dbraw/zinc/17/11/10/292171110.db2.gz AJZFHIUQFRJAAC-KLAILNCOSA-N 1 3 338.517 2.620 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000358583739 147844715 /nfs/dbraw/zinc/84/47/15/147844715.db2.gz CUHXFIAWMJIRPG-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000359207711 148023600 /nfs/dbraw/zinc/02/36/00/148023600.db2.gz QRGIMFSQOFMCJZ-VQIMIIECSA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(F)c1 ZINC000359207711 148023601 /nfs/dbraw/zinc/02/36/01/148023601.db2.gz QRGIMFSQOFMCJZ-VQIMIIECSA-N 1 3 349.494 2.804 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000359223191 148028137 /nfs/dbraw/zinc/02/81/37/148028137.db2.gz HQYWYTUWTFVVMZ-SFHVURJKSA-N 1 3 344.503 2.516 20 0 EFADHO [NH3+]CCCN(CCC(=O)NCC1CCCCC1)Cc1ccccc1 ZINC000359294556 148048108 /nfs/dbraw/zinc/04/81/08/148048108.db2.gz WMEOZKWBAWPFIL-UHFFFAOYSA-N 1 3 331.504 2.924 20 0 EFADHO CC[N@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1)C(C)C ZINC000359357425 148065154 /nfs/dbraw/zinc/06/51/54/148065154.db2.gz GLPWGNCKDOSJPW-UHFFFAOYSA-N 1 3 348.535 2.799 20 0 EFADHO CC[N@@H+](CCNC(=O)N(CCN(C)C)Cc1cccc(C)c1)C(C)C ZINC000359357425 148065156 /nfs/dbraw/zinc/06/51/56/148065156.db2.gz GLPWGNCKDOSJPW-UHFFFAOYSA-N 1 3 348.535 2.799 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)N2CCCCC2)[C@@H](C)C1 ZINC000359369875 148068757 /nfs/dbraw/zinc/06/87/57/148068757.db2.gz LZMXZJHNWKKMCY-RBUKOAKNSA-N 1 3 339.568 2.978 20 0 EFADHO CO[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCOC1 ZINC000359411754 148078336 /nfs/dbraw/zinc/07/83/36/148078336.db2.gz FDPRAGRQOPJWFW-BQJUDKOJSA-N 1 3 344.499 2.682 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000359667691 148157423 /nfs/dbraw/zinc/15/74/23/148157423.db2.gz PIWRGRULZDAWFH-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(CN(C)C)CCCC2)[C@@H](C)C1 ZINC000355069053 286061978 /nfs/dbraw/zinc/06/19/78/286061978.db2.gz QMIWPRPXBZXTID-OALUTQOASA-N 1 3 339.568 2.835 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000364463672 149159215 /nfs/dbraw/zinc/15/92/15/149159215.db2.gz UTUYWTPEPVPPBE-CVEARBPZSA-N 1 3 335.517 2.781 20 0 EFADHO COCCC1(C[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CCCCC1 ZINC000364670034 149213357 /nfs/dbraw/zinc/21/33/57/149213357.db2.gz ZKCHDHUHSDQTIJ-SFHVURJKSA-N 1 3 337.552 2.732 20 0 EFADHO CCCN(CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000365083447 149313043 /nfs/dbraw/zinc/31/30/43/149313043.db2.gz VBEQDZLWIBAXMP-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687332 292210976 /nfs/dbraw/zinc/21/09/76/292210976.db2.gz CKSTWRJYXAKINA-MJGOQNOKSA-N 1 3 329.488 2.719 20 0 EFADHO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414687332 292210978 /nfs/dbraw/zinc/21/09/78/292210978.db2.gz CKSTWRJYXAKINA-MJGOQNOKSA-N 1 3 329.488 2.719 20 0 EFADHO CCN1CCN([C@@H]2CC[N@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000368017264 150010633 /nfs/dbraw/zinc/01/06/33/150010633.db2.gz HOLYKSLKACUKQH-REMYHPOOSA-N 1 3 335.442 2.690 20 0 EFADHO CCN1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(F)c(F)c3)C2)CC1 ZINC000368017264 150010636 /nfs/dbraw/zinc/01/06/36/150010636.db2.gz HOLYKSLKACUKQH-REMYHPOOSA-N 1 3 335.442 2.690 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368040904 150017851 /nfs/dbraw/zinc/01/78/51/150017851.db2.gz JEWIMJRRAIGJMN-ZACQAIPSSA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368040904 150017854 /nfs/dbraw/zinc/01/78/54/150017854.db2.gz JEWIMJRRAIGJMN-ZACQAIPSSA-N 1 3 349.519 2.992 20 0 EFADHO CCn1nccc1CCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368075730 150027689 /nfs/dbraw/zinc/02/76/89/150027689.db2.gz ZRNLQEGXLQWNLN-WOJBJXKFSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1nccc1CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368075730 150027692 /nfs/dbraw/zinc/02/76/92/150027692.db2.gz ZRNLQEGXLQWNLN-WOJBJXKFSA-N 1 3 338.499 2.899 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000165989992 286198585 /nfs/dbraw/zinc/19/85/85/286198585.db2.gz BGWAUSANLMCMFJ-QAPCUYQASA-N 1 3 349.475 2.651 20 0 EFADHO COc1cc(CN[C@H]2CCC[C@@H]2C[NH3+])cc(Br)c1OC ZINC000414791193 286222221 /nfs/dbraw/zinc/22/22/21/286222221.db2.gz BASNINNGBSKTGB-YPMHNXCESA-N 1 3 343.265 2.683 20 0 EFADHO CN1CCC2(CCCN2C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372434976 151005545 /nfs/dbraw/zinc/00/55/45/151005545.db2.gz HCYBBUPFWIYXHO-UHFFFAOYSA-N 1 3 341.499 2.983 20 0 EFADHO C[C@H](CO)CCC[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000372863518 151073085 /nfs/dbraw/zinc/07/30/85/151073085.db2.gz OPKUAUQYXSJHRL-KRWDZBQOSA-N 1 3 333.520 2.715 20 0 EFADHO Cn1nccc1N1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000373207537 151134141 /nfs/dbraw/zinc/13/41/41/151134141.db2.gz XCKVTSJDKCPBSE-SFHVURJKSA-N 1 3 345.535 2.776 20 0 EFADHO Cn1nccc1N1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000373207537 151134143 /nfs/dbraw/zinc/13/41/43/151134143.db2.gz XCKVTSJDKCPBSE-SFHVURJKSA-N 1 3 345.535 2.776 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374094098 151282798 /nfs/dbraw/zinc/28/27/98/151282798.db2.gz VDXAOFDWEDRNHO-OAQYLSRUSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374094098 151282801 /nfs/dbraw/zinc/28/28/01/151282801.db2.gz VDXAOFDWEDRNHO-OAQYLSRUSA-N 1 3 343.515 2.841 20 0 EFADHO CN(Cc1ccc(F)cc1)C(=O)CN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374166483 151294410 /nfs/dbraw/zinc/29/44/10/151294410.db2.gz XEVYPYXPJLEMKX-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO CCN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000374175278 151296793 /nfs/dbraw/zinc/29/67/93/151296793.db2.gz QPBCSIKJBABQIT-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374253142 151308442 /nfs/dbraw/zinc/30/84/42/151308442.db2.gz FGGSBTCDFMMCOJ-XLIONFOSSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 ZINC000374253142 151308444 /nfs/dbraw/zinc/30/84/44/151308444.db2.gz FGGSBTCDFMMCOJ-XLIONFOSSA-N 1 3 331.504 2.543 20 0 EFADHO CC(C)Oc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374322455 151322476 /nfs/dbraw/zinc/32/24/76/151322476.db2.gz DEQBVODOUUALHG-RXVVDRJESA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374322455 151322478 /nfs/dbraw/zinc/32/24/78/151322478.db2.gz DEQBVODOUUALHG-RXVVDRJESA-N 1 3 345.531 2.932 20 0 EFADHO Cc1ccccc1OCCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374325258 151323378 /nfs/dbraw/zinc/32/33/78/151323378.db2.gz OOQHZPATDHWYPA-WOJBJXKFSA-N 1 3 345.531 2.722 20 0 EFADHO C[C@H]1COCCN(Cc2cccc(C[N@@H+]3CCOC[C@H](C)C3)c2)C1 ZINC000374328230 151325147 /nfs/dbraw/zinc/32/51/47/151325147.db2.gz BMRMIXWIGXDQDD-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]1COCCN(Cc2cccc(C[N@H+]3CCOC[C@H](C)C3)c2)C1 ZINC000374328230 151325148 /nfs/dbraw/zinc/32/51/48/151325148.db2.gz BMRMIXWIGXDQDD-QZTJIDSGSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc(OCCN(C)C)c1 ZINC000374526851 151362929 /nfs/dbraw/zinc/36/29/29/151362929.db2.gz MCILOAYQZDCVNN-HQRMLTQVSA-N 1 3 348.487 2.616 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)C1(CC)CC ZINC000362031792 286293392 /nfs/dbraw/zinc/29/33/92/286293392.db2.gz FHEUWHPLSAGATG-QXAKKESOSA-N 1 3 337.552 2.728 20 0 EFADHO C[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378320550 152057118 /nfs/dbraw/zinc/05/71/18/152057118.db2.gz QDVWOWCHJHZEMR-FXAWDEMLSA-N 1 3 349.494 2.552 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417033134 286832033 /nfs/dbraw/zinc/83/20/33/286832033.db2.gz RKFYCFCCHBNHJT-FUHWJXTLSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000422799751 298875679 /nfs/dbraw/zinc/87/56/79/298875679.db2.gz YGYLNMASOIDHOZ-BDXSIMOUSA-N 1 3 325.541 2.775 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC(C)(C)S(C)(=O)=O)CC1 ZINC000414248293 287288829 /nfs/dbraw/zinc/28/88/29/287288829.db2.gz FPIBQSKCUBCOJS-WBVHZDCISA-N 1 3 344.565 2.832 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000359387074 287289212 /nfs/dbraw/zinc/28/92/12/287289212.db2.gz AQVWESSHJGYMTB-AHRSYUTCSA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](CCO)C2CCOCC2)CC1 ZINC000359387074 287289214 /nfs/dbraw/zinc/28/92/14/287289214.db2.gz AQVWESSHJGYMTB-AHRSYUTCSA-N 1 3 338.536 2.797 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000353477495 287318345 /nfs/dbraw/zinc/31/83/45/287318345.db2.gz CAQZBVWXUQNPCR-QBYUYEEZSA-N 1 3 335.517 2.635 20 0 EFADHO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165345054 226122349 /nfs/dbraw/zinc/12/23/49/226122349.db2.gz FVHQXWWETOJSFE-ICSRJNTNSA-N 1 3 338.499 2.952 20 0 EFADHO Cc1ccc([C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000165627424 226132097 /nfs/dbraw/zinc/13/20/97/226132097.db2.gz QWABAFGHLHJQQP-DQXYTYHJSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@@H](N)c1ccccc1 ZINC000165687532 226133667 /nfs/dbraw/zinc/13/36/67/226133667.db2.gz SSFGZHJOBCZJCQ-BHIYHBOVSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[C@H](N)c1ccccc1 ZINC000165687299 226133894 /nfs/dbraw/zinc/13/38/94/226133894.db2.gz SSFGZHJOBCZJCQ-QRQLOZEOSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](C)N(C2CC2)C1)c1ccc(OCCN(C)C)cc1 ZINC000166243720 226153560 /nfs/dbraw/zinc/15/35/60/226153560.db2.gz MQISXQKTIHKLIP-BQFCYCMXSA-N 1 3 331.504 2.903 20 0 EFADHO CN(C(=O)c1ccc(C[NH3+])cc1)C1CCN(Cc2ccccc2)CC1 ZINC000167669836 226196746 /nfs/dbraw/zinc/19/67/46/226196746.db2.gz BVLZBPXIJGCPMB-UHFFFAOYSA-N 1 3 337.467 2.882 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169090761 226232310 /nfs/dbraw/zinc/23/23/10/226232310.db2.gz COBFYCFBMBOLKD-HOTGVXAUSA-N 1 3 331.460 2.536 20 0 EFADHO COCCOc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423272608 292604259 /nfs/dbraw/zinc/60/42/59/292604259.db2.gz JWYVDFOZTQEPOJ-XIRDDKMYSA-N 1 3 336.476 2.889 20 0 EFADHO C[NH+](C)CCCC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000123179212 222230103 /nfs/dbraw/zinc/23/01/03/222230103.db2.gz WAFSFGCNJLLXBX-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1cccc(OC[C@@H](O)CN2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123325286 222257042 /nfs/dbraw/zinc/25/70/42/222257042.db2.gz RUHJEJHQYBUVSU-IBGZPJMESA-N 1 3 334.504 2.789 20 0 EFADHO CC[C@H](C(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C)N(C)C ZINC000360564966 287496342 /nfs/dbraw/zinc/49/63/42/287496342.db2.gz ZIGCMHLGFYBSPA-RTBURBONSA-N 1 3 333.520 2.944 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CC1 ZINC000074102068 544468675 /nfs/dbraw/zinc/46/86/75/544468675.db2.gz SEQRQQYTFCLNFS-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO C[C@@H](N[C@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](C)CC1 ZINC000089584741 544524830 /nfs/dbraw/zinc/52/48/30/544524830.db2.gz MFVVWARSPHMDHG-CJNGLKHVSA-N 1 3 335.879 2.765 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCCCCC2)CC1 ZINC000051093354 292635376 /nfs/dbraw/zinc/63/53/76/292635376.db2.gz KOIZDMZYCJUCQZ-UHFFFAOYSA-N 1 3 343.515 2.952 20 0 EFADHO C[C@@H](NCc1cccnc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000151132837 544705230 /nfs/dbraw/zinc/70/52/30/544705230.db2.gz AYEPLCNXALZZAA-GFCCVEGCSA-N 1 3 331.382 2.843 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000158545863 544787870 /nfs/dbraw/zinc/78/78/70/544787870.db2.gz UEGHXPPTNIZCPE-FQEVSTJZSA-N 1 3 349.494 2.663 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000165724087 544849205 /nfs/dbraw/zinc/84/92/05/544849205.db2.gz PLFSFSQRVLYOKA-CEXWTWQISA-N 1 3 329.488 2.703 20 0 EFADHO FC(F)(F)CN1CCC(CC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000166775097 544851396 /nfs/dbraw/zinc/85/13/96/544851396.db2.gz SYLQIDHRFOLTJP-HOTGVXAUSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000166775097 544851399 /nfs/dbraw/zinc/85/13/99/544851399.db2.gz SYLQIDHRFOLTJP-HOTGVXAUSA-N 1 3 333.442 2.867 20 0 EFADHO FC(F)(F)CN1CCC(CCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000166775097 544851403 /nfs/dbraw/zinc/85/14/03/544851403.db2.gz SYLQIDHRFOLTJP-HOTGVXAUSA-N 1 3 333.442 2.867 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000680582457 549353514 /nfs/dbraw/zinc/35/35/14/549353514.db2.gz DSOJNHQVGBVMBG-WOJBJXKFSA-N 1 3 341.499 2.594 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173693468 264773678 /nfs/dbraw/zinc/77/36/78/264773678.db2.gz QSIIESOIADNXII-IAGOWNOFSA-N 1 3 329.488 2.771 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000184553177 265019445 /nfs/dbraw/zinc/01/94/45/265019445.db2.gz QOFMPGFMMATMLQ-IRXDYDNUSA-N 1 3 337.508 2.896 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000189911725 265204766 /nfs/dbraw/zinc/20/47/66/265204766.db2.gz XXCWNIZVTXWELK-PKOBYXMFSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000190123411 265211869 /nfs/dbraw/zinc/21/18/69/265211869.db2.gz HBYXMIYTNFQIQR-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO COC(=O)[C@@](C)(C[NH2+]C1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC000191578808 265269467 /nfs/dbraw/zinc/26/94/67/265269467.db2.gz OZQQDCIRLHQSHN-FQEVSTJZSA-N 1 3 332.488 2.970 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(CC)CC ZINC000192803195 265310280 /nfs/dbraw/zinc/31/02/80/265310280.db2.gz NTCODTYRIOKECT-MOPGFXCFSA-N 1 3 339.568 2.976 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971358 265355962 /nfs/dbraw/zinc/35/59/62/265355962.db2.gz XIBHBVYRAKAUFG-SFHVURJKSA-N 1 3 339.911 2.645 20 0 EFADHO C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)CN1CCCC1 ZINC000217953231 265428733 /nfs/dbraw/zinc/42/87/33/265428733.db2.gz MDTSEWPQNMLIOC-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](CN)c3ccccc3)C2)CC1 ZINC000236628946 265438031 /nfs/dbraw/zinc/43/80/31/265438031.db2.gz BOVGODOIYPYQCI-UYAOXDASSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc3c(c2)ncn3C)C[C@@H](C)O1 ZINC000271641363 266028789 /nfs/dbraw/zinc/02/87/89/266028789.db2.gz HIEYGKFJIGICES-HZPDHXFCSA-N 1 3 330.476 2.552 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000271817717 266068903 /nfs/dbraw/zinc/06/89/03/266068903.db2.gz OMRUQZCUGVTJMF-IRXDYDNUSA-N 1 3 340.533 2.949 20 0 EFADHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000271865829 266082859 /nfs/dbraw/zinc/08/28/59/266082859.db2.gz LIOAZPAECYSYSX-MRXNPFEDSA-N 1 3 340.471 2.912 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CC2=CCN(C)CC2)cc1Cn1cccn1 ZINC000271917311 266096617 /nfs/dbraw/zinc/09/66/17/266096617.db2.gz ZFHAFMWZKDXKCQ-INIZCTEOSA-N 1 3 340.471 2.853 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1=CCN(C)CC1 ZINC000272076624 266144490 /nfs/dbraw/zinc/14/44/90/266144490.db2.gz KRKDWRMTPWFOTO-UHFFFAOYSA-N 1 3 344.503 2.590 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000272280923 266214399 /nfs/dbraw/zinc/21/43/99/266214399.db2.gz MSCPGURFNRYQSZ-QXAKKESOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000272280923 266214402 /nfs/dbraw/zinc/21/44/02/266214402.db2.gz MSCPGURFNRYQSZ-QXAKKESOSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H]1CN(CCC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@H](C)O1 ZINC000272318995 266227756 /nfs/dbraw/zinc/22/77/56/266227756.db2.gz KBYCWENARGIDFM-ROUUACIJSA-N 1 3 346.515 2.890 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](Cc3ccc(CO)cc3)CC2)C[C@@H](C)O1 ZINC000272318987 266228369 /nfs/dbraw/zinc/22/83/69/266228369.db2.gz KBYCWENARGIDFM-QZTJIDSGSA-N 1 3 346.515 2.890 20 0 EFADHO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272555148 266306391 /nfs/dbraw/zinc/30/63/91/266306391.db2.gz FSKFHDLFGSQSQD-WBVHZDCISA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H](NCCN(C)CC(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272555148 266306394 /nfs/dbraw/zinc/30/63/94/266306394.db2.gz FSKFHDLFGSQSQD-WBVHZDCISA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H](NCCN(C)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272555148 266306398 /nfs/dbraw/zinc/30/63/98/266306398.db2.gz FSKFHDLFGSQSQD-WBVHZDCISA-N 1 3 343.437 2.981 20 0 EFADHO COCCOCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000272645205 266337506 /nfs/dbraw/zinc/33/75/06/266337506.db2.gz DJGCUONTCMFBGR-QHAWAJNXSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@H]([NH2+]C[C@](C)(O)c1ccco1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272671938 266347113 /nfs/dbraw/zinc/34/71/13/266347113.db2.gz PRAYRRSDWPOEAZ-QRFRQXIXSA-N 1 3 328.456 2.987 20 0 EFADHO O[C@]1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CCSC1 ZINC000272698812 266355367 /nfs/dbraw/zinc/35/53/67/266355367.db2.gz RNADVPCLWBTQFL-WTGUMLROSA-N 1 3 346.540 2.745 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)N(C)C)cc1 ZINC000272714554 266360397 /nfs/dbraw/zinc/36/03/97/266360397.db2.gz IDWGVAZWFDBDLT-VQIMIIECSA-N 1 3 344.503 2.547 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)N(C)C)cc1 ZINC000272714554 266360400 /nfs/dbraw/zinc/36/04/00/266360400.db2.gz IDWGVAZWFDBDLT-VQIMIIECSA-N 1 3 344.503 2.547 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)[nH]1 ZINC000272759052 266374433 /nfs/dbraw/zinc/37/44/33/266374433.db2.gz PUYKXXLEGPZWGV-DOTOQJQBSA-N 1 3 341.455 2.802 20 0 EFADHO CC[NH+](CC)CCCN[C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000272793688 266383412 /nfs/dbraw/zinc/38/34/12/266383412.db2.gz AABJGNGASBHDLU-HNNXBMFYSA-N 1 3 349.475 2.512 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000272793688 266383417 /nfs/dbraw/zinc/38/34/17/266383417.db2.gz AABJGNGASBHDLU-HNNXBMFYSA-N 1 3 349.475 2.512 20 0 EFADHO CC[NH+](CC)CCCN[C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000272793693 266384054 /nfs/dbraw/zinc/38/40/54/266384054.db2.gz AABJGNGASBHDLU-OAHLLOKOSA-N 1 3 349.475 2.512 20 0 EFADHO CCN(CC)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000272793693 266384055 /nfs/dbraw/zinc/38/40/55/266384055.db2.gz AABJGNGASBHDLU-OAHLLOKOSA-N 1 3 349.475 2.512 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)cc3c2OCC3)CC1 ZINC000272825607 266391364 /nfs/dbraw/zinc/39/13/64/266391364.db2.gz JUXFSUIRIGPPTR-UHFFFAOYSA-N 1 3 338.879 2.600 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000103211636 273000831 /nfs/dbraw/zinc/00/08/31/273000831.db2.gz RHECWOHIVBUBEA-UHFFFAOYSA-N 1 3 332.275 2.559 20 0 EFADHO CCN1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273210616 266466046 /nfs/dbraw/zinc/46/60/46/266466046.db2.gz LJVLPSVZDQOLLD-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277058475 267108325 /nfs/dbraw/zinc/10/83/25/267108325.db2.gz JJIMSJUUQDVVHX-QGZVFWFLSA-N 1 3 332.492 2.739 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000174016027 273027067 /nfs/dbraw/zinc/02/70/67/273027067.db2.gz DYDZBTDWQRBCPI-QZTJIDSGSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000193852897 273065842 /nfs/dbraw/zinc/06/58/42/273065842.db2.gz HHYFHPDHWSRCTD-SFHVURJKSA-N 1 3 346.519 2.851 20 0 EFADHO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCCN1CCc2ccccc2C1 ZINC000237862638 273072385 /nfs/dbraw/zinc/07/23/85/273072385.db2.gz IABSJPWZSAGDHT-VQTJNVASSA-N 1 3 343.515 2.849 20 0 EFADHO COc1ccc(Br)cc1CN(C)CC[C@H]1CC[NH2+]C1 ZINC000258880829 273074998 /nfs/dbraw/zinc/07/49/98/273074998.db2.gz BRVWKODKZMODMM-GFCCVEGCSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1N(C)C ZINC000271565803 273105462 /nfs/dbraw/zinc/10/54/62/273105462.db2.gz XSNTXBUQIDZODR-RYGJVYDSSA-N 1 3 331.504 2.781 20 0 EFADHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccccc1N(C)C ZINC000271565804 273105505 /nfs/dbraw/zinc/10/55/05/273105505.db2.gz XSNTXBUQIDZODR-YSSFQJQWSA-N 1 3 331.504 2.781 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000277133528 273147463 /nfs/dbraw/zinc/14/74/63/273147463.db2.gz IOEQMYGDWMHHDW-SJORKVTESA-N 1 3 340.895 2.634 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000277133528 273147465 /nfs/dbraw/zinc/14/74/65/273147465.db2.gz IOEQMYGDWMHHDW-SJORKVTESA-N 1 3 340.895 2.634 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277207818 273151238 /nfs/dbraw/zinc/15/12/38/273151238.db2.gz WFMJUASYAZSBMA-IZBJGVDFSA-N 1 3 347.572 2.922 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000277207818 273151240 /nfs/dbraw/zinc/15/12/40/273151240.db2.gz WFMJUASYAZSBMA-IZBJGVDFSA-N 1 3 347.572 2.922 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)C12CCCN1CCC2 ZINC000278802221 273162601 /nfs/dbraw/zinc/16/26/01/273162601.db2.gz ZLDPPQMKNVOLMK-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)C34CCCN3CCC4)cc21 ZINC000279508736 273222836 /nfs/dbraw/zinc/22/28/36/273222836.db2.gz UBRSFTQXJKTNGC-UHFFFAOYSA-N 1 3 340.471 2.770 20 0 EFADHO CO[C@@H](c1ccccc1)[C@@H](C)NCC1([NH+]2CCCC2)CCOCC1 ZINC000279639890 273237034 /nfs/dbraw/zinc/23/70/34/273237034.db2.gz AOXJJKWNKOKFHP-IEBWSBKVSA-N 1 3 332.488 2.997 20 0 EFADHO CNC(=O)c1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280342251 273317787 /nfs/dbraw/zinc/31/77/87/273317787.db2.gz HUVVZLWRCJNKQQ-OYRHEFFESA-N 1 3 349.478 2.610 20 0 EFADHO CNC(=O)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280342251 273317789 /nfs/dbraw/zinc/31/77/89/273317789.db2.gz HUVVZLWRCJNKQQ-OYRHEFFESA-N 1 3 349.478 2.610 20 0 EFADHO COCCSCCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280348892 273318444 /nfs/dbraw/zinc/31/84/44/273318444.db2.gz IDVRMLVGPLMXBZ-KDURUIRLSA-N 1 3 334.529 2.820 20 0 EFADHO COCCSCCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280348892 273318445 /nfs/dbraw/zinc/31/84/45/273318445.db2.gz IDVRMLVGPLMXBZ-KDURUIRLSA-N 1 3 334.529 2.820 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280916615 273381040 /nfs/dbraw/zinc/38/10/40/273381040.db2.gz PKWXEBVRFXBNIY-HOTGVXAUSA-N 1 3 333.867 2.883 20 0 EFADHO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000280933542 273382996 /nfs/dbraw/zinc/38/29/96/273382996.db2.gz IIMQWJNTBYLMRP-AEFFLSMTSA-N 1 3 347.503 2.536 20 0 EFADHO CN(C(=O)[C@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC000281073417 273397850 /nfs/dbraw/zinc/39/78/50/273397850.db2.gz KWBPQIPWQCRMRO-ZWKOTPCHSA-N 1 3 329.488 2.846 20 0 EFADHO CN(C(=O)[C@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C1)c1ccccc1 ZINC000281073417 273397852 /nfs/dbraw/zinc/39/78/52/273397852.db2.gz KWBPQIPWQCRMRO-ZWKOTPCHSA-N 1 3 329.488 2.846 20 0 EFADHO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000282295170 273542231 /nfs/dbraw/zinc/54/22/31/273542231.db2.gz SIOGLFPBLRTPBH-DYESRHJHSA-N 1 3 346.515 2.938 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000416836560 273770580 /nfs/dbraw/zinc/77/05/80/273770580.db2.gz GPROMQZGHOKXAM-MNEFBYGVSA-N 1 3 346.519 2.763 20 0 EFADHO COc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285584774 274031287 /nfs/dbraw/zinc/03/12/87/274031287.db2.gz UHMBOSANWLXKQE-SJPCQFCGSA-N 1 3 331.460 2.581 20 0 EFADHO COc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285584774 274031288 /nfs/dbraw/zinc/03/12/88/274031288.db2.gz UHMBOSANWLXKQE-SJPCQFCGSA-N 1 3 331.460 2.581 20 0 EFADHO C[C@H]([NH3+])[C@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000285978318 274110621 /nfs/dbraw/zinc/11/06/21/274110621.db2.gz HOUCJTIYINSGKW-STQMWFEESA-N 1 3 345.409 2.579 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)CN1CCCCC1 ZINC000286064797 274126424 /nfs/dbraw/zinc/12/64/24/274126424.db2.gz LPGANZPMNOTZCG-HUUCEWRRSA-N 1 3 331.460 2.790 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000286130465 274139484 /nfs/dbraw/zinc/13/94/84/274139484.db2.gz WKUYHQWNONQWLS-BBTUJRGHSA-N 1 3 346.515 2.931 20 0 EFADHO COc1cccc([C@@H]2C[C@H]2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423177344 274149021 /nfs/dbraw/zinc/14/90/21/274149021.db2.gz HGLAKSMAJXIXHI-ONSCTEFMSA-N 1 3 330.472 2.545 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286244201 274160879 /nfs/dbraw/zinc/16/08/79/274160879.db2.gz UBWWNOHBGREZFC-ZDUSSCGKSA-N 1 3 331.460 2.931 20 0 EFADHO CSC[C@@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000368786494 274177488 /nfs/dbraw/zinc/17/74/88/274177488.db2.gz LQTPGUGRUFEJOX-RBUKOAKNSA-N 1 3 334.529 2.698 20 0 EFADHO CSC[C@@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000368786494 274177489 /nfs/dbraw/zinc/17/74/89/274177489.db2.gz LQTPGUGRUFEJOX-RBUKOAKNSA-N 1 3 334.529 2.698 20 0 EFADHO Cc1cc(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000286414314 274196455 /nfs/dbraw/zinc/19/64/55/274196455.db2.gz QNPOPYWJWQEOHL-OAQYLSRUSA-N 1 3 336.483 2.787 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286943778 274306422 /nfs/dbraw/zinc/30/64/22/274306422.db2.gz FHLMHMLNBDVCKN-YLJYHZDGSA-N 1 3 341.499 2.981 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000128132741 274318232 /nfs/dbraw/zinc/31/82/32/274318232.db2.gz LOTLFCQKGCMQEI-GJYPPUQNSA-N 1 3 329.488 2.802 20 0 EFADHO C[C@@H]1CC[C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc21 ZINC000128132741 274318234 /nfs/dbraw/zinc/31/82/34/274318234.db2.gz LOTLFCQKGCMQEI-GJYPPUQNSA-N 1 3 329.488 2.802 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287006335 274320712 /nfs/dbraw/zinc/32/07/12/274320712.db2.gz LTZJOBNNXQHFPU-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287006335 274320713 /nfs/dbraw/zinc/32/07/13/274320713.db2.gz LTZJOBNNXQHFPU-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287006339 274320813 /nfs/dbraw/zinc/32/08/13/274320813.db2.gz LTZJOBNNXQHFPU-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287006339 274320816 /nfs/dbraw/zinc/32/08/16/274320816.db2.gz LTZJOBNNXQHFPU-SCTDSRPQSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414180983 274391821 /nfs/dbraw/zinc/39/18/21/274391821.db2.gz BMYWPJOOHUVYHO-YLJYHZDGSA-N 1 3 343.515 2.621 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1cccc(CN(C)C)c1 ZINC000287441250 274420808 /nfs/dbraw/zinc/42/08/08/274420808.db2.gz FZUZDQPKTUTFER-APWZRJJASA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458392141 274545958 /nfs/dbraw/zinc/54/59/58/274545958.db2.gz ADPOCHWAOUXYDG-MRXNPFEDSA-N 1 3 346.519 2.851 20 0 EFADHO CN(c1ccccc1CNCC1=CCCOC1)C1CC[NH+](C)CC1 ZINC000288367809 274578495 /nfs/dbraw/zinc/57/84/95/274578495.db2.gz DVQOELYNSLANIT-UHFFFAOYSA-N 1 3 329.488 2.653 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(O)cc(C(F)(F)F)c1 ZINC000289611554 274790931 /nfs/dbraw/zinc/79/09/31/274790931.db2.gz VSYBVCYPHIGOHT-HNNXBMFYSA-N 1 3 334.382 2.857 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000418345006 275748634 /nfs/dbraw/zinc/74/86/34/275748634.db2.gz GVGJUPRCQIPLGG-QZTJIDSGSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000418344954 275748899 /nfs/dbraw/zinc/74/88/99/275748899.db2.gz GSCDDTHZUPEVDD-INDMIFKZSA-N 1 3 344.503 2.579 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000163575582 275941632 /nfs/dbraw/zinc/94/16/32/275941632.db2.gz ARJXIPNRLYAVBN-QAPCUYQASA-N 1 3 335.517 2.637 20 0 EFADHO CCC[NH2+]CCNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418491669 276016899 /nfs/dbraw/zinc/01/68/99/276016899.db2.gz SLLDJWPUZYBYEZ-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)c1ccc(CCN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262061834 276051954 /nfs/dbraw/zinc/05/19/54/276051954.db2.gz RFIGKHHJAYQRCJ-LJQANCHMSA-N 1 3 331.504 2.672 20 0 EFADHO CCN(C(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000427286274 276061735 /nfs/dbraw/zinc/06/17/35/276061735.db2.gz DTCDMARUVMIEEC-ZIFCJYIRSA-N 1 3 329.488 2.670 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000115813740 276075500 /nfs/dbraw/zinc/07/55/00/276075500.db2.gz HTRSFMPGBXIVFU-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C[C@H]2CCCN(C)C2)c1 ZINC000115813740 276075502 /nfs/dbraw/zinc/07/55/02/276075502.db2.gz HTRSFMPGBXIVFU-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CC(CN(C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346424674 276093441 /nfs/dbraw/zinc/09/34/41/276093441.db2.gz BKFLIYBOFLWCMT-ROUUACIJSA-N 1 3 336.520 2.624 20 0 EFADHO CC(CN(C[C@@H]1CCOC1)C1CC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346424674 276093443 /nfs/dbraw/zinc/09/34/43/276093443.db2.gz BKFLIYBOFLWCMT-ROUUACIJSA-N 1 3 336.520 2.624 20 0 EFADHO CC[NH+](CC)CCOCCN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000349664473 276100093 /nfs/dbraw/zinc/10/00/93/276100093.db2.gz LTCXVLPGIUXARD-GOSISDBHSA-N 1 3 336.476 2.857 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@H]1C ZINC000355473909 276110569 /nfs/dbraw/zinc/11/05/69/276110569.db2.gz LQFMZUBDZGCFRP-QGZVFWFLSA-N 1 3 346.519 2.764 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000411335030 276150244 /nfs/dbraw/zinc/15/02/44/276150244.db2.gz CVPUJIIHQDQVSW-IBGZPJMESA-N 1 3 331.504 2.964 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340186791 276196707 /nfs/dbraw/zinc/19/67/07/276196707.db2.gz SZKHONOXTDWEHR-WIYYLYMNSA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000119790628 276203389 /nfs/dbraw/zinc/20/33/89/276203389.db2.gz KKPJWDNVHLSUPJ-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000119790628 276203390 /nfs/dbraw/zinc/20/33/90/276203390.db2.gz KKPJWDNVHLSUPJ-SFHVURJKSA-N 1 3 331.504 2.687 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000345711133 276301291 /nfs/dbraw/zinc/30/12/91/276301291.db2.gz KDOGMJNPAUDXSY-VNQPRFMTSA-N 1 3 339.430 2.653 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000345711133 276301292 /nfs/dbraw/zinc/30/12/92/276301292.db2.gz KDOGMJNPAUDXSY-VNQPRFMTSA-N 1 3 339.430 2.653 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc3c(c2)ncn3C)C1 ZINC000342921340 276328162 /nfs/dbraw/zinc/32/81/62/276328162.db2.gz ULVBBQYZFZYMSS-QGZVFWFLSA-N 1 3 330.476 2.506 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000245905169 276364458 /nfs/dbraw/zinc/36/44/58/276364458.db2.gz MGCGBOUSGKUQSK-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000093482984 276388573 /nfs/dbraw/zinc/38/85/73/276388573.db2.gz JOLZCZTUQJLLSP-MJGOQNOKSA-N 1 3 331.504 2.564 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000093482984 276388574 /nfs/dbraw/zinc/38/85/74/276388574.db2.gz JOLZCZTUQJLLSP-MJGOQNOKSA-N 1 3 331.504 2.564 20 0 EFADHO CC(=O)N1CC[C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879048 277009967 /nfs/dbraw/zinc/00/99/67/277009967.db2.gz IWVUTWVZLXVCRT-UZLBHIALSA-N 1 3 327.472 2.554 20 0 EFADHO CC(=O)N1CC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879048 277009969 /nfs/dbraw/zinc/00/99/69/277009969.db2.gz IWVUTWVZLXVCRT-UZLBHIALSA-N 1 3 327.472 2.554 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000126737030 277109122 /nfs/dbraw/zinc/10/91/22/277109122.db2.gz OBFXOGVLAXFGOH-IBGZPJMESA-N 1 3 345.531 2.870 20 0 EFADHO CC(C)(C)[NH+]1CCC(N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000376140482 277152285 /nfs/dbraw/zinc/15/22/85/277152285.db2.gz IMCMQPPGGSZMJN-KRWDZBQOSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(CO)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422968683 277304431 /nfs/dbraw/zinc/30/44/31/277304431.db2.gz RVWJIQQDVHJNOX-UAFMIMERSA-N 1 3 346.515 2.535 20 0 EFADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414742562 278011686 /nfs/dbraw/zinc/01/16/86/278011686.db2.gz ICVRLPUEHYKMMJ-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791193 278021144 /nfs/dbraw/zinc/02/11/44/278021144.db2.gz YSNFPBUYFUZIIV-JTDSTZFVSA-N 1 3 348.535 2.708 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000437791193 278021146 /nfs/dbraw/zinc/02/11/46/278021146.db2.gz YSNFPBUYFUZIIV-JTDSTZFVSA-N 1 3 348.535 2.708 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000416874822 278045594 /nfs/dbraw/zinc/04/55/94/278045594.db2.gz QALWORFVJIIXOV-IBGZPJMESA-N 1 3 346.519 2.985 20 0 EFADHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1N(C)C ZINC000093945481 278254585 /nfs/dbraw/zinc/25/45/85/278254585.db2.gz YECYJVWBKIRNTC-DLBZAZTESA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000339433329 278259107 /nfs/dbraw/zinc/25/91/07/278259107.db2.gz ORUGKEAMEPZHRF-IRXDYDNUSA-N 1 3 338.540 2.718 20 0 EFADHO CC(C)(C)N1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453301326 278340374 /nfs/dbraw/zinc/34/03/74/278340374.db2.gz XXUFPHUUAKHMSG-JKSUJKDBSA-N 1 3 329.488 2.530 20 0 EFADHO CC(C)(C)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453301326 278340376 /nfs/dbraw/zinc/34/03/76/278340376.db2.gz XXUFPHUUAKHMSG-JKSUJKDBSA-N 1 3 329.488 2.530 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368040901 278384639 /nfs/dbraw/zinc/38/46/39/278384639.db2.gz JEWIMJRRAIGJMN-BBWFWOEESA-N 1 3 349.519 2.992 20 0 EFADHO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000368040901 278384642 /nfs/dbraw/zinc/38/46/42/278384642.db2.gz JEWIMJRRAIGJMN-BBWFWOEESA-N 1 3 349.519 2.992 20 0 EFADHO C[C@H]1C[C@H](CN2CCN(C(=O)CCCc3ccccc3)CC2)CC[NH2+]1 ZINC000414742553 278491336 /nfs/dbraw/zinc/49/13/36/278491336.db2.gz ICVRLPUEHYKMMJ-AZUAARDMSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000262729450 278565520 /nfs/dbraw/zinc/56/55/20/278565520.db2.gz BIEWMYUPHSMXIH-HBFSDRIKSA-N 1 3 329.488 2.847 20 0 EFADHO CCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000165944629 279006576 /nfs/dbraw/zinc/00/65/76/279006576.db2.gz YEXAHUKUHRIFCU-UHOSZYNNSA-N 1 3 329.488 2.670 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000345711131 279010520 /nfs/dbraw/zinc/01/05/20/279010520.db2.gz KDOGMJNPAUDXSY-FVQBIDKESA-N 1 3 339.430 2.653 20 0 EFADHO CCN(C(=O)[C@H](N)CC(F)F)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000345711131 279010521 /nfs/dbraw/zinc/01/05/21/279010521.db2.gz KDOGMJNPAUDXSY-FVQBIDKESA-N 1 3 339.430 2.653 20 0 EFADHO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCN(C3CCN(C)CC3)C1)CCC2 ZINC000370638225 279119665 /nfs/dbraw/zinc/11/96/65/279119665.db2.gz WTLKGJMGMIMLKK-RHSMWYFYSA-N 1 3 334.533 2.587 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCCN1C ZINC000429087613 279119857 /nfs/dbraw/zinc/11/98/57/279119857.db2.gz KTBXKEIADOPSIH-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)N(C)C2CC2)c1 ZINC000105118863 279137752 /nfs/dbraw/zinc/13/77/52/279137752.db2.gz UHZYRCBTNNRRKZ-MRXNPFEDSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343657485 279138646 /nfs/dbraw/zinc/13/86/46/279138646.db2.gz QMCSKZJJTGSMPA-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO CC[N@H+](CCNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411864955 279205535 /nfs/dbraw/zinc/20/55/35/279205535.db2.gz FQGBCOLJTCWDLH-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CC[N@@H+](CCNC(=O)c1cccc(CN2CCCCC2)c1)C1CC1 ZINC000411864955 279205536 /nfs/dbraw/zinc/20/55/36/279205536.db2.gz FQGBCOLJTCWDLH-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1)C1CC1 ZINC000428776998 279234684 /nfs/dbraw/zinc/23/46/84/279234684.db2.gz GSTFQBITRXBEKT-KRWDZBQOSA-N 1 3 329.488 2.743 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246516 288121353 /nfs/dbraw/zinc/12/13/53/288121353.db2.gz OIZRDFMTWOOLNQ-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](C)CN1CCCC[C@H]1[C@@H](O)CC ZINC000304246516 288121354 /nfs/dbraw/zinc/12/13/54/288121354.db2.gz OIZRDFMTWOOLNQ-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246516 288121356 /nfs/dbraw/zinc/12/13/56/288121356.db2.gz OIZRDFMTWOOLNQ-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO CC[C@H](O)[C@H]1CCCCN1C[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304246516 288121357 /nfs/dbraw/zinc/12/13/57/288121357.db2.gz OIZRDFMTWOOLNQ-WPVAHCMFSA-N 1 3 340.552 2.873 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000104150522 279264394 /nfs/dbraw/zinc/26/43/94/279264394.db2.gz MGCGBOUSGKUQSK-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000361347801 279304895 /nfs/dbraw/zinc/30/48/95/279304895.db2.gz ZDFIPNHDCRXMEJ-GOSISDBHSA-N 1 3 346.519 2.682 20 0 EFADHO C[C@H](CN1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Cl)c1 ZINC000262118889 279306430 /nfs/dbraw/zinc/30/64/30/279306430.db2.gz XDNHXQXMIXLPQC-PBHICJAKSA-N 1 3 337.895 2.763 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000352910844 279316824 /nfs/dbraw/zinc/31/68/24/279316824.db2.gz PLIHBFHOZQEYSC-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000352910844 279316826 /nfs/dbraw/zinc/31/68/26/279316826.db2.gz PLIHBFHOZQEYSC-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Cl)s1 ZINC000349073166 279329873 /nfs/dbraw/zinc/32/98/73/279329873.db2.gz JLMZNHNUXJLJNX-ZDUSSCGKSA-N 1 3 330.929 2.644 20 0 EFADHO CCN1CCC[C@H]1C[N@H+](CCN(C)C)C[C@@H](C)CC1CCOCC1 ZINC000349037848 279330061 /nfs/dbraw/zinc/33/00/61/279330061.db2.gz TXXZOPSTRSMUAW-ICSRJNTNSA-N 1 3 339.568 2.787 20 0 EFADHO CCN1CCC[C@H]1C[N@@H+](CCN(C)C)C[C@@H](C)CC1CCOCC1 ZINC000349037848 279330062 /nfs/dbraw/zinc/33/00/62/279330062.db2.gz TXXZOPSTRSMUAW-ICSRJNTNSA-N 1 3 339.568 2.787 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NC1CC[NH+](C2CCC2)CC1 ZINC000347083210 279385406 /nfs/dbraw/zinc/38/54/06/279385406.db2.gz FSRQSRAZVBGANX-GFCCVEGCSA-N 1 3 341.297 2.641 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337439997 279510310 /nfs/dbraw/zinc/51/03/10/279510310.db2.gz YBUPSIIWRARTSG-HOTGVXAUSA-N 1 3 333.467 2.543 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCO1 ZINC000192759391 288168973 /nfs/dbraw/zinc/16/89/73/288168973.db2.gz ARFGMZKXJVSBBB-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCO1 ZINC000192759391 288168975 /nfs/dbraw/zinc/16/89/75/288168975.db2.gz ARFGMZKXJVSBBB-RTBURBONSA-N 1 3 337.552 2.684 20 0 EFADHO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370634353 279964920 /nfs/dbraw/zinc/96/49/20/279964920.db2.gz LEHKGJIBOQKFNZ-FUHWJXTLSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000342632701 288186713 /nfs/dbraw/zinc/18/67/13/288186713.db2.gz MXXDOALHDYRWMZ-AABGKKOBSA-N 1 3 349.563 2.826 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293918 280210045 /nfs/dbraw/zinc/21/00/45/280210045.db2.gz MUPJGZVBFCLVGI-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1[C@@H](O)CC ZINC000304293918 280210048 /nfs/dbraw/zinc/21/00/48/280210048.db2.gz MUPJGZVBFCLVGI-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293918 280210049 /nfs/dbraw/zinc/21/00/49/280210049.db2.gz MUPJGZVBFCLVGI-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO CC[C@@H](O)[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304293918 280210050 /nfs/dbraw/zinc/21/00/50/280210050.db2.gz MUPJGZVBFCLVGI-CADBVGFASA-N 1 3 326.525 2.627 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H](CN)c1ccc(F)cc1)[NH+]1CCC(C)CC1 ZINC000358862844 280249281 /nfs/dbraw/zinc/24/92/81/280249281.db2.gz YGEYJGBOPUQFHV-OALUTQOASA-N 1 3 349.494 2.741 20 0 EFADHO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190175 280373292 /nfs/dbraw/zinc/37/32/92/280373292.db2.gz KKZAKLLONUFYRY-RTBURBONSA-N 1 3 337.552 2.587 20 0 EFADHO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000423311836 280998837 /nfs/dbraw/zinc/99/88/37/280998837.db2.gz UKRKBTKRNGDWCB-ZBFHGGJFSA-N 1 3 335.517 2.779 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433913152 281056356 /nfs/dbraw/zinc/05/63/56/281056356.db2.gz BVPOVTOYUZHPTN-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000433913152 281056358 /nfs/dbraw/zinc/05/63/58/281056358.db2.gz BVPOVTOYUZHPTN-FUHWJXTLSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)N(C)C ZINC000352339159 281388427 /nfs/dbraw/zinc/38/84/27/281388427.db2.gz ADGCMDSLLHOERY-RYRKJORJSA-N 1 3 334.508 2.626 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000363687005 282018486 /nfs/dbraw/zinc/01/84/86/282018486.db2.gz AXALEGPZJWSSRK-VMLCMGRWSA-N 1 3 341.499 2.619 20 0 EFADHO CN(C)C/C=C/C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363687005 282018494 /nfs/dbraw/zinc/01/84/94/282018494.db2.gz AXALEGPZJWSSRK-VMLCMGRWSA-N 1 3 341.499 2.619 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCC(C)CC1 ZINC000067708012 292698565 /nfs/dbraw/zinc/69/85/65/292698565.db2.gz FAHLEMJXIOSZJX-IEBWSBKVSA-N 1 3 346.519 2.709 20 0 EFADHO CN(C)CCN(Cc1ccccc1F)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192537984 289148041 /nfs/dbraw/zinc/14/80/41/289148041.db2.gz BMLFSYQTXOIKQD-UHFFFAOYSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)CCN(Cc1cccs1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192691578 289149655 /nfs/dbraw/zinc/14/96/55/289149655.db2.gz ZQOXDSOTQYWKHE-UHFFFAOYSA-N 1 3 335.517 2.513 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000105129822 289292546 /nfs/dbraw/zinc/29/25/46/289292546.db2.gz OCKTVLQZXAGAQZ-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CCN(C3CCC(C)CC3)CC2)CC1 ZINC000073731606 292728681 /nfs/dbraw/zinc/72/86/81/292728681.db2.gz UFAZTOCIHRPUDL-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175607953 289565089 /nfs/dbraw/zinc/56/50/89/289565089.db2.gz MMKNVTLJBMBHDR-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)CN(C)C ZINC000425932513 289695858 /nfs/dbraw/zinc/69/58/58/289695858.db2.gz QLXAFHYWRYIZBN-HZPDHXFCSA-N 1 3 345.487 2.629 20 0 EFADHO CN1CCC(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000364194623 289869607 /nfs/dbraw/zinc/86/96/07/289869607.db2.gz IILWIAQMDAKRQL-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343136590 290017235 /nfs/dbraw/zinc/01/72/35/290017235.db2.gz LCEBOVOWUHQZTJ-BWPNAZKDSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000343136590 290017236 /nfs/dbraw/zinc/01/72/36/290017236.db2.gz LCEBOVOWUHQZTJ-BWPNAZKDSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000237520753 290394080 /nfs/dbraw/zinc/39/40/80/290394080.db2.gz VDEHWQFQVRGJDA-QFBILLFUSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCCN1 ZINC000237520753 290394081 /nfs/dbraw/zinc/39/40/81/290394081.db2.gz VDEHWQFQVRGJDA-QFBILLFUSA-N 1 3 329.488 2.819 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)N1CCC(C)CC1 ZINC000129016654 293121543 /nfs/dbraw/zinc/12/15/43/293121543.db2.gz XXCLBAVVHRDLEQ-QGZVFWFLSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](NCc1ccccc1CO)c1ccc(OCC[NH+](C)C)cc1 ZINC000151773483 293301290 /nfs/dbraw/zinc/30/12/90/293301290.db2.gz PJLPZZCRPIYCPF-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CC[NH+]1CCC(NC(=O)N(CCN(C)C)CC2CCCCC2)CC1 ZINC000155365143 293468392 /nfs/dbraw/zinc/46/83/92/293468392.db2.gz VRTQFPNAJVMNBV-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@@H]3CCCC[C@H]3C[NH3+])c2)CCO1 ZINC000422907798 297032130 /nfs/dbraw/zinc/03/21/30/297032130.db2.gz XPGSIQQFYHNHOG-LSTHTHJFSA-N 1 3 331.504 2.514 20 0 EFADHO CO[C@@H]1C[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C12CCC2 ZINC000423173641 293974293 /nfs/dbraw/zinc/97/42/93/293974293.db2.gz ZNJFCIDBADVDEA-GDAAHCPNSA-N 1 3 328.456 2.790 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000290103760 294000491 /nfs/dbraw/zinc/00/04/91/294000491.db2.gz KDEVWYSMTKRJJU-YSHGAJCASA-N 1 3 329.488 2.544 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2ccncc2OCCC[NH+](C)C)C1(C)C ZINC000290254551 294040073 /nfs/dbraw/zinc/04/00/73/294040073.db2.gz KBKZSYWQCDURPZ-QZTJIDSGSA-N 1 3 335.492 2.705 20 0 EFADHO C[NH+](C)CC1(CNC(=O)C2C[C@@H](c3ccccc3)OC2=O)CCCC1 ZINC000290342365 294061481 /nfs/dbraw/zinc/06/14/81/294061481.db2.gz FMPYFTWRSVGDCD-SJORKVTESA-N 1 3 344.455 2.529 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CN[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000290473411 294095758 /nfs/dbraw/zinc/09/57/58/294095758.db2.gz XAZJNBNWOQAALB-BHIYHBOVSA-N 1 3 347.503 2.705 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515080 294107582 /nfs/dbraw/zinc/10/75/82/294107582.db2.gz PUVAOYTUCOXPBG-PKOBYXMFSA-N 1 3 327.472 2.512 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000290515080 294107586 /nfs/dbraw/zinc/10/75/86/294107586.db2.gz PUVAOYTUCOXPBG-PKOBYXMFSA-N 1 3 327.472 2.512 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290549026 294117766 /nfs/dbraw/zinc/11/77/66/294117766.db2.gz RSQZCVJVALUKKH-INIZCTEOSA-N 1 3 348.487 2.876 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290622743 294138823 /nfs/dbraw/zinc/13/88/23/294138823.db2.gz ORLNPXKDXCXQMW-PVAVHDDUSA-N 1 3 332.444 2.527 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000290622743 294138827 /nfs/dbraw/zinc/13/88/27/294138827.db2.gz ORLNPXKDXCXQMW-PVAVHDDUSA-N 1 3 332.444 2.527 20 0 EFADHO C[C@H](CCNC(=O)C1C[C@@H](c2ccccc2)OC1=O)[NH+]1CCCCC1 ZINC000290656359 294147823 /nfs/dbraw/zinc/14/78/23/294147823.db2.gz ZJPXZHNUOREDMD-NXHRZFHOSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000291195092 294306334 /nfs/dbraw/zinc/30/63/34/294306334.db2.gz JDKSYMMLRYIIEO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291195092 294306337 /nfs/dbraw/zinc/30/63/37/294306337.db2.gz JDKSYMMLRYIIEO-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H]([NH2+]CC[C@H]1CCCN1C)c1ccc(N2CCCNC2=O)cc1 ZINC000291204547 294309874 /nfs/dbraw/zinc/30/98/74/294309874.db2.gz KCNLSPIRDHJSJE-DOTOQJQBSA-N 1 3 330.476 2.741 20 0 EFADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000411415438 297075987 /nfs/dbraw/zinc/07/59/87/297075987.db2.gz NKUAPGLDFRPILX-NMLACTOBSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC[C@H]1N1CCN(C)CC1 ZINC000411415438 297075990 /nfs/dbraw/zinc/07/59/90/297075990.db2.gz NKUAPGLDFRPILX-NMLACTOBSA-N 1 3 331.479 2.639 20 0 EFADHO CN(C(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C1CC1 ZINC000291459334 294387490 /nfs/dbraw/zinc/38/74/90/294387490.db2.gz NGPRXBPBLXNRNQ-UHFFFAOYSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H](CS(=O)(=O)c1ccccc1)NCCCCC[NH+]1CCCC1 ZINC000293770823 295045853 /nfs/dbraw/zinc/04/58/53/295045853.db2.gz SEEWSUOODBTKLR-QGZVFWFLSA-N 1 3 338.517 2.705 20 0 EFADHO CCC[C@H](C)C(=O)NCCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293788030 295049266 /nfs/dbraw/zinc/04/92/66/295049266.db2.gz UBNOQTVJHBKLNW-IRXDYDNUSA-N 1 3 349.519 2.830 20 0 EFADHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C(=O)OC)cc1 ZINC000293826138 295058537 /nfs/dbraw/zinc/05/85/37/295058537.db2.gz SEQDAOJEVZBSBN-LJQANCHMSA-N 1 3 347.503 2.540 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000293881376 295070689 /nfs/dbraw/zinc/07/06/89/295070689.db2.gz UDZISAXHZIFMGO-NSISKUIASA-N 1 3 332.463 2.678 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000293881376 295070690 /nfs/dbraw/zinc/07/06/90/295070690.db2.gz UDZISAXHZIFMGO-NSISKUIASA-N 1 3 332.463 2.678 20 0 EFADHO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294343948 295150613 /nfs/dbraw/zinc/15/06/13/295150613.db2.gz YRJBJSQITZPFHD-XAEMIUIASA-N 1 3 335.517 2.720 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CCCCC[C@H]2c2ccccc2)C1 ZINC000414717954 295216567 /nfs/dbraw/zinc/21/65/67/295216567.db2.gz ZZOKYEGCSSWPJH-MJGOQNOKSA-N 1 3 329.488 2.801 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2c2ccccc2)C1 ZINC000414717954 295216568 /nfs/dbraw/zinc/21/65/68/295216568.db2.gz ZZOKYEGCSSWPJH-MJGOQNOKSA-N 1 3 329.488 2.801 20 0 EFADHO COCC1CCC([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000294956655 295251094 /nfs/dbraw/zinc/25/10/94/295251094.db2.gz DPDCFBNYHNDROB-RRWXTXHCSA-N 1 3 332.488 2.548 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000294961212 295251530 /nfs/dbraw/zinc/25/15/30/295251530.db2.gz FXACKCOPPGUGAU-MRXNPFEDSA-N 1 3 333.476 2.796 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423048894 295258326 /nfs/dbraw/zinc/25/83/26/295258326.db2.gz JJKLWYNOVCEWIS-QYRPDUKASA-N 1 3 344.499 2.862 20 0 EFADHO [NH3+]C[C@H](NC(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000417041016 295263370 /nfs/dbraw/zinc/26/33/70/295263370.db2.gz WBWMISOYHXOPMW-OALUTQOASA-N 1 3 344.503 2.640 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295120643 295270556 /nfs/dbraw/zinc/27/05/56/295270556.db2.gz XIPNFSFOAKYJLF-AEFFLSMTSA-N 1 3 335.467 2.624 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000295189042 295279993 /nfs/dbraw/zinc/27/99/93/295279993.db2.gz NTYHZQRGQHGDHE-LMMKCTJWSA-N 1 3 331.504 2.886 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000295215052 295283526 /nfs/dbraw/zinc/28/35/26/295283526.db2.gz AXVFOCAHQQSSHD-SJORKVTESA-N 1 3 348.487 2.586 20 0 EFADHO COC(=O)COC[C@H](C)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000295215052 295283527 /nfs/dbraw/zinc/28/35/27/295283527.db2.gz AXVFOCAHQQSSHD-SJORKVTESA-N 1 3 348.487 2.586 20 0 EFADHO CCCN[C@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000295257414 295288860 /nfs/dbraw/zinc/28/88/60/295288860.db2.gz UVZLJMHDMJUPPX-MRXNPFEDSA-N 1 3 346.519 2.791 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000295273165 295291384 /nfs/dbraw/zinc/29/13/84/295291384.db2.gz VUXRCJUQTLYBAV-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO CCCN[C@@H](C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000295273165 295291385 /nfs/dbraw/zinc/29/13/85/295291385.db2.gz VUXRCJUQTLYBAV-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295297318 295295716 /nfs/dbraw/zinc/29/57/16/295295716.db2.gz XJDWHMMYMHRVKE-MRXNPFEDSA-N 1 3 329.488 2.819 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)c1 ZINC000261615691 295326078 /nfs/dbraw/zinc/32/60/78/295326078.db2.gz FLGYGTUKKSWGID-WTGUMLROSA-N 1 3 331.504 2.808 20 0 EFADHO C[N@H+]1CC=C(CNCc2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 ZINC000295479730 295327441 /nfs/dbraw/zinc/32/74/41/295327441.db2.gz SAKRJIVCPXSGQX-UHFFFAOYSA-N 1 3 339.439 2.723 20 0 EFADHO C[N@@H+]1CC=C(CNCc2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 ZINC000295479730 295327443 /nfs/dbraw/zinc/32/74/43/295327443.db2.gz SAKRJIVCPXSGQX-UHFFFAOYSA-N 1 3 339.439 2.723 20 0 EFADHO c1cn2c(n1)[C@@H](NCCCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000295841755 295384390 /nfs/dbraw/zinc/38/43/90/295384390.db2.gz FQDCLOBFWISERI-IBGZPJMESA-N 1 3 339.487 2.520 20 0 EFADHO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N(C)C ZINC000422748118 295384607 /nfs/dbraw/zinc/38/46/07/295384607.db2.gz SAPGQPRSXIKAEV-AUUYWEPGSA-N 1 3 342.487 2.811 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417031991 298389518 /nfs/dbraw/zinc/38/95/18/298389518.db2.gz QLYZEMRKVFFDHD-SJLPKXTDSA-N 1 3 332.492 2.640 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000417208584 298396400 /nfs/dbraw/zinc/39/64/00/298396400.db2.gz BCRAXSVGFHOQMG-MJGOQNOKSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000361222379 298584166 /nfs/dbraw/zinc/58/41/66/298584166.db2.gz YYMAMJIXALLLOU-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO Cc1cc(C)cc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000423401972 301229793 /nfs/dbraw/zinc/22/97/93/301229793.db2.gz XYNCWJKQZBHSRF-GDBMZVCRSA-N 1 3 329.410 2.790 20 0 EFADHO FC(F)Oc1ccccc1CCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423071503 303123831 /nfs/dbraw/zinc/12/38/31/303123831.db2.gz OMNAAJUZZDFCJY-ARFHVFGLSA-N 1 3 340.414 2.577 20 0 EFADHO Fc1ccc(CC2(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000422989428 303129659 /nfs/dbraw/zinc/12/96/59/303129659.db2.gz LTXMWZMEURCMJZ-GBESFXJTSA-N 1 3 332.463 2.895 20 0 EFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422804742 304857106 /nfs/dbraw/zinc/85/71/06/304857106.db2.gz LCKAJZDVYVRBOY-PWRODBHTSA-N 1 3 327.516 2.945 20 0 EFADHO c1ccc(CN2CCC(OCCC[NH2+]C3CCOCC3)CC2)cc1 ZINC000176983951 310774415 /nfs/dbraw/zinc/77/44/15/310774415.db2.gz SPPQPRAVLOABFZ-UHFFFAOYSA-N 1 3 332.488 2.826 20 0 EFADHO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)c1 ZINC000297293756 310877067 /nfs/dbraw/zinc/87/70/67/310877067.db2.gz ACNAHOPLMVXXGV-FQEVSTJZSA-N 1 3 325.456 2.990 20 0 EFADHO CC(C)[C@H](Cn1cccn1)NCc1ccccc1OCC[NH+](C)C ZINC000297737772 310925883 /nfs/dbraw/zinc/92/58/83/310925883.db2.gz NWLZHLNKLGWVQQ-SFHVURJKSA-N 1 3 330.476 2.638 20 0 EFADHO FC(F)C(F)(F)COCC[NH2+]C1CCN(c2ccncc2)CC1 ZINC000298109899 310958074 /nfs/dbraw/zinc/95/80/74/310958074.db2.gz OGCPKGJFKFWCFK-UHFFFAOYSA-N 1 3 335.345 2.557 20 0 EFADHO CCCNC(=O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298554609 311002441 /nfs/dbraw/zinc/00/24/41/311002441.db2.gz OMURFILLPNNGAR-OAQYLSRUSA-N 1 3 343.515 2.891 20 0 EFADHO CCCNC(=O)CCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298554609 311002442 /nfs/dbraw/zinc/00/24/42/311002442.db2.gz OMURFILLPNNGAR-OAQYLSRUSA-N 1 3 343.515 2.891 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)N(C)C ZINC000298861003 311029670 /nfs/dbraw/zinc/02/96/70/311029670.db2.gz FNXBYJPZAAKXNY-INIZCTEOSA-N 1 3 332.492 2.787 20 0 EFADHO COc1cc2nccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2cc1OC ZINC000298965917 311038143 /nfs/dbraw/zinc/03/81/43/311038143.db2.gz QLEGHADJZBDHKP-CQSZACIVSA-N 1 3 325.412 2.703 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(CN2CCCC2)c1 ZINC000299110244 311051838 /nfs/dbraw/zinc/05/18/38/311051838.db2.gz ANJKCZXIOUIXPS-MOPGFXCFSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(CN2CCCC2)c1 ZINC000299110244 311051840 /nfs/dbraw/zinc/05/18/40/311051840.db2.gz ANJKCZXIOUIXPS-MOPGFXCFSA-N 1 3 327.472 2.639 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)c2cc1OC ZINC000299126908 311054157 /nfs/dbraw/zinc/05/41/57/311054157.db2.gz XRMJSJNAIZVKIV-KGLIPLIRSA-N 1 3 327.428 2.925 20 0 EFADHO COc1cc2nccc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OC ZINC000299126908 311054158 /nfs/dbraw/zinc/05/41/58/311054158.db2.gz XRMJSJNAIZVKIV-KGLIPLIRSA-N 1 3 327.428 2.925 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccsc1 ZINC000299373160 311077991 /nfs/dbraw/zinc/07/79/91/311077991.db2.gz MYHGTACSYJJHBM-ZBFHGGJFSA-N 1 3 340.537 2.770 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416486 311082651 /nfs/dbraw/zinc/08/26/51/311082651.db2.gz UDDBFRMZDDEJJA-YSIASYRMSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCC[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000299416486 311082652 /nfs/dbraw/zinc/08/26/52/311082652.db2.gz UDDBFRMZDDEJJA-YSIASYRMSA-N 1 3 334.504 2.837 20 0 EFADHO C[C@@H](CNC[C@H](O)COCc1ccccc1Cl)C[NH+]1CCCC1 ZINC000320494475 311237781 /nfs/dbraw/zinc/23/77/81/311237781.db2.gz BNEPSQZOOGKOQP-RDJZCZTQSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1Cl)CN1CCCC1 ZINC000320494475 311237782 /nfs/dbraw/zinc/23/77/82/311237782.db2.gz BNEPSQZOOGKOQP-RDJZCZTQSA-N 1 3 340.895 2.539 20 0 EFADHO C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CNCc3ccccc32)([NH+](C)C)C1 ZINC000325685960 311243372 /nfs/dbraw/zinc/24/33/72/311243372.db2.gz ODISOWHWTHBTRI-MOXGXCLJSA-N 1 3 329.488 2.500 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000325883103 311243581 /nfs/dbraw/zinc/24/35/81/311243581.db2.gz NXGRGQJMYCXRCX-MQVJKMGUSA-N 1 3 331.460 2.616 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc3c2OCCCO3)CC1 ZINC000333201669 311582130 /nfs/dbraw/zinc/58/21/30/311582130.db2.gz XZANONSFQJGNII-IEBWSBKVSA-N 1 3 346.471 2.566 20 0 EFADHO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCCNC1 ZINC000333227997 311586260 /nfs/dbraw/zinc/58/62/60/311586260.db2.gz BHUXHSTZWGTKSD-OMMUHCLJSA-N 1 3 327.472 2.797 20 0 EFADHO C[C@]1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCNC1 ZINC000333330638 311600408 /nfs/dbraw/zinc/60/04/08/311600408.db2.gz WDPWPRBOXCOWGT-YHDJDMAPSA-N 1 3 327.472 2.798 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000333333069 311600895 /nfs/dbraw/zinc/60/08/95/311600895.db2.gz WNLOXZPCNTTYMD-NMDDUFOESA-N 1 3 346.519 2.625 20 0 EFADHO Cc1nc2ccccc2nc1CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333901792 311673688 /nfs/dbraw/zinc/67/36/88/311673688.db2.gz ZHWYMTHCWJITGP-OXQOHEQNSA-N 1 3 340.471 2.657 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000400575892 311970067 /nfs/dbraw/zinc/97/00/67/311970067.db2.gz OYIRTELKQZRQFQ-CABCVRRESA-N 1 3 327.513 2.809 20 0 EFADHO CC1(C)Cc2cc(CN3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2O1 ZINC000414775651 312052369 /nfs/dbraw/zinc/05/23/69/312052369.db2.gz MJGMZNMABTZYBZ-MJGOQNOKSA-N 1 3 330.472 2.728 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414775718 312052729 /nfs/dbraw/zinc/05/27/29/312052729.db2.gz GNANXDGKRPJVDY-SJORKVTESA-N 1 3 328.435 2.833 20 0 EFADHO COc1cc(Br)c(CNCC[C@H]2CC[NH2+]C2)cc1OC ZINC000414833241 312055683 /nfs/dbraw/zinc/05/56/83/312055683.db2.gz POAWFBMPBMBOTL-LLVKDONJSA-N 1 3 343.265 2.556 20 0 EFADHO COc1ccc(OCc2ccccn2)c(CNCC[C@H]2CC[NH2+]C2)c1 ZINC000414834131 312055734 /nfs/dbraw/zinc/05/57/34/312055734.db2.gz QGVNWXYTDBNLOE-MRXNPFEDSA-N 1 3 341.455 2.758 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414833572 312055869 /nfs/dbraw/zinc/05/58/69/312055869.db2.gz GKMTYSYDAIYXJB-NWDGAFQWSA-N 1 3 347.381 2.747 20 0 EFADHO Fc1ccc(-n2cc(CNCC[C@@H]3CCC[NH2+]C3)nn2)c(Cl)c1 ZINC000414851666 312058565 /nfs/dbraw/zinc/05/85/65/312058565.db2.gz OSBSIXZJLJWXDM-LBPRGKRZSA-N 1 3 337.830 2.539 20 0 EFADHO COCC1(CNCc2ccc(F)cc2Br)CC[NH2+]CC1 ZINC000414971365 312069393 /nfs/dbraw/zinc/06/93/93/312069393.db2.gz IVVXEMMRBOLWNH-UHFFFAOYSA-N 1 3 345.256 2.694 20 0 EFADHO FC(F)(F)[C@H](CNCc1ccc2ccccc2c1)N1CC[NH2+]CC1 ZINC000414973188 312069749 /nfs/dbraw/zinc/06/97/49/312069749.db2.gz KJBKHMUUWDPGEE-KRWDZBQOSA-N 1 3 337.389 2.766 20 0 EFADHO C[C@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)[C@@H](C)CN1 ZINC000414982627 312070735 /nfs/dbraw/zinc/07/07/35/312070735.db2.gz ZKOAJNFWMHQOAP-IRXDYDNUSA-N 1 3 344.503 2.929 20 0 EFADHO Cc1cc(C)c(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000414993964 312073220 /nfs/dbraw/zinc/07/32/20/312073220.db2.gz VBOBWPDSXPZTIH-MRXNPFEDSA-N 1 3 329.410 2.538 20 0 EFADHO CCCc1cccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414994502 312073582 /nfs/dbraw/zinc/07/35/82/312073582.db2.gz VIWXCEDCGONZKG-INIZCTEOSA-N 1 3 329.410 2.565 20 0 EFADHO Clc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000415001159 312075015 /nfs/dbraw/zinc/07/50/15/312075015.db2.gz CBYDVHMNUGEGFG-GOEBONIOSA-N 1 3 336.863 2.979 20 0 EFADHO COc1ccc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000415005803 312076141 /nfs/dbraw/zinc/07/61/41/312076141.db2.gz JUBJTQVLRPNACB-LSDHHAIUSA-N 1 3 326.387 2.774 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](CNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415005024 312076270 /nfs/dbraw/zinc/07/62/70/312076270.db2.gz YSNWFENROUMDHL-PWSUYJOCSA-N 1 3 328.359 2.624 20 0 EFADHO [NH3+]C[C@H]1CC[C@H](CNCc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000415027437 312079321 /nfs/dbraw/zinc/07/93/21/312079321.db2.gz WERVMLJREQAXDG-HAQNSBGRSA-N 1 3 342.386 2.871 20 0 EFADHO [NH3+]C[C@@H]1CC[C@@H](NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000415046359 312082982 /nfs/dbraw/zinc/08/29/82/312082982.db2.gz VBMVSOJLQQDYLY-GHMZBOCLSA-N 1 3 340.258 2.791 20 0 EFADHO Cc1nn2c(CN[C@H](CCC[NH3+])c3ccccc3)c(C)nc2s1 ZINC000415048131 312083245 /nfs/dbraw/zinc/08/32/45/312083245.db2.gz FQYDDNCRBAMVFP-OAHLLOKOSA-N 1 3 329.473 2.977 20 0 EFADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CNCCCO1 ZINC000415049453 312083833 /nfs/dbraw/zinc/08/38/33/312083833.db2.gz YCVIAZQXNRGQPR-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO C[C@@H](CCc1cccc(C(F)(F)F)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000415049453 312083836 /nfs/dbraw/zinc/08/38/36/312083836.db2.gz YCVIAZQXNRGQPR-XJKSGUPXSA-N 1 3 330.394 2.995 20 0 EFADHO COc1cc(Br)c(CN[C@@H]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000415050787 312083842 /nfs/dbraw/zinc/08/38/42/312083842.db2.gz YSBDJFIQPHRTKQ-WDEREUQCSA-N 1 3 343.265 2.683 20 0 EFADHO CCc1ccccc1[C@H]([NH3+])CNCc1cn(-c2ccncc2)nc1C ZINC000415073443 312088444 /nfs/dbraw/zinc/08/84/44/312088444.db2.gz ZFNKQNUPWWLSLF-HXUWFJFHSA-N 1 3 335.455 2.928 20 0 EFADHO CCc1ccccc1[C@H](N)C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000415073443 312088447 /nfs/dbraw/zinc/08/84/47/312088447.db2.gz ZFNKQNUPWWLSLF-HXUWFJFHSA-N 1 3 335.455 2.928 20 0 EFADHO COc1ccc(CCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415076040 312088608 /nfs/dbraw/zinc/08/86/08/312088608.db2.gz CENRIUBRQBVQTC-ZACQAIPSSA-N 1 3 348.487 2.765 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000415085920 312090821 /nfs/dbraw/zinc/09/08/21/312090821.db2.gz UAASRYVFFDANEG-NJAFHUGGSA-N 1 3 329.488 2.972 20 0 EFADHO CCOc1ccc(C2(C[NH2+]C[C@@H]3CCCNC3)CCOCC2)cc1 ZINC000415086645 312090869 /nfs/dbraw/zinc/09/08/69/312090869.db2.gz JVZWFHSQMDBPQS-QGZVFWFLSA-N 1 3 332.488 2.723 20 0 EFADHO CCOc1ccc(C2(CNC[C@@H]3CCC[NH2+]C3)CCOCC2)cc1 ZINC000415086645 312090871 /nfs/dbraw/zinc/09/08/71/312090871.db2.gz JVZWFHSQMDBPQS-QGZVFWFLSA-N 1 3 332.488 2.723 20 0 EFADHO CCC(CC)[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000415085061 312090893 /nfs/dbraw/zinc/09/08/93/312090893.db2.gz QEJYTHBNXUXKJI-OXQOHEQNSA-N 1 3 331.504 2.951 20 0 EFADHO c1ccc(CN2CCOCC2)c(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000415088874 312091167 /nfs/dbraw/zinc/09/11/67/312091167.db2.gz YDQZAQSNKDILAX-PCCBWWKXSA-N 1 3 343.515 2.529 20 0 EFADHO CCC[C@H]([NH2+]C[C@H]1CCCN(C(=O)CN)C1)c1ccc(F)cc1F ZINC000415088491 312091326 /nfs/dbraw/zinc/09/13/26/312091326.db2.gz VFHBCQSUPIQXNK-DYVFJYSZSA-N 1 3 339.430 2.593 20 0 EFADHO CCOc1ccc(C2(CNC[C@@]3(C)CC[NH2+]C3)CCOCC2)cc1 ZINC000415093206 312092402 /nfs/dbraw/zinc/09/24/02/312092402.db2.gz URIVSNXLXCBGSA-IBGZPJMESA-N 1 3 332.488 2.723 20 0 EFADHO CCOc1ccc(C2(CNC[C@]3(C)CC[NH2+]C3)CCOCC2)cc1 ZINC000415093207 312092454 /nfs/dbraw/zinc/09/24/54/312092454.db2.gz URIVSNXLXCBGSA-LJQANCHMSA-N 1 3 332.488 2.723 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCCNCC2)CC1)c1ccccc1 ZINC000415113125 312096322 /nfs/dbraw/zinc/09/63/22/312096322.db2.gz SLXIBCBKQZGYGU-ICSRJNTNSA-N 1 3 343.515 2.903 20 0 EFADHO COc1ccccc1/C=C\CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415118765 312097457 /nfs/dbraw/zinc/09/74/57/312097457.db2.gz DZDDHXJLJSFLJQ-NUYWCDCQSA-N 1 3 330.472 2.927 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000415121414 312098081 /nfs/dbraw/zinc/09/80/81/312098081.db2.gz HEMPRVRTLOPTQE-HNNXBMFYSA-N 1 3 327.457 2.789 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000415121414 312098083 /nfs/dbraw/zinc/09/80/83/312098083.db2.gz HEMPRVRTLOPTQE-HNNXBMFYSA-N 1 3 327.457 2.789 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)o1 ZINC000415124182 312098561 /nfs/dbraw/zinc/09/85/61/312098561.db2.gz MGLZKCFYIDJMKK-SJLPKXTDSA-N 1 3 344.459 2.696 20 0 EFADHO CC(C)COc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415130358 312099405 /nfs/dbraw/zinc/09/94/05/312099405.db2.gz QQEAUNKHEGQRMS-GOSISDBHSA-N 1 3 343.475 2.609 20 0 EFADHO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415130969 312099926 /nfs/dbraw/zinc/09/99/26/312099926.db2.gz ROYNGZDKSKBITN-SFHVURJKSA-N 1 3 327.476 2.871 20 0 EFADHO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000415130969 312099927 /nfs/dbraw/zinc/09/99/27/312099927.db2.gz ROYNGZDKSKBITN-SFHVURJKSA-N 1 3 327.476 2.871 20 0 EFADHO Cc1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415133492 312100620 /nfs/dbraw/zinc/10/06/20/312100620.db2.gz NCCSKUAAJANZMZ-UHFFFAOYSA-N 1 3 330.501 2.535 20 0 EFADHO CCc1ncc(CNCC2([NH3+])CCN(Cc3ccccc3)CC2)s1 ZINC000415137357 312101456 /nfs/dbraw/zinc/10/14/56/312101456.db2.gz TUGPIIVJIPUPNA-UHFFFAOYSA-N 1 3 344.528 2.789 20 0 EFADHO O=C1N[C@@H]2CN(CCC3CCCCCC3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415146522 312103030 /nfs/dbraw/zinc/10/30/30/312103030.db2.gz YTWGMKXRFXJJOX-MOPGFXCFSA-N 1 3 348.535 2.567 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@H](C)NC[C@@H]2C)cc1 ZINC000415173388 312108196 /nfs/dbraw/zinc/10/81/96/312108196.db2.gz BEZLWHZDTDRJOK-HOTGVXAUSA-N 1 3 348.491 2.621 20 0 EFADHO CCC(CC)(C[NH3+])NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415197545 312112508 /nfs/dbraw/zinc/11/25/08/312112508.db2.gz AWJNPAQSOOLTSO-UHFFFAOYSA-N 1 3 336.480 2.574 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000415198545 312112734 /nfs/dbraw/zinc/11/27/34/312112734.db2.gz CJDSQYRCIXTQCY-HNNXBMFYSA-N 1 3 336.480 2.574 20 0 EFADHO Cc1ccc(NC(=O)N2CCC([C@H](C)[NH3+])CC2)c(OCCN(C)C)c1 ZINC000415206705 312113903 /nfs/dbraw/zinc/11/39/03/312113903.db2.gz SVUTZVMEVZGZHL-HNNXBMFYSA-N 1 3 348.491 2.527 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000415259902 312122371 /nfs/dbraw/zinc/12/23/71/312122371.db2.gz WCMWFFSPGQLWFF-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C12CCCN1CCC2 ZINC000415259902 312122373 /nfs/dbraw/zinc/12/23/73/312122373.db2.gz WCMWFFSPGQLWFF-IEBWSBKVSA-N 1 3 341.499 2.642 20 0 EFADHO CN(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415882299 312179243 /nfs/dbraw/zinc/17/92/43/312179243.db2.gz KLIBLKUPHLFHQQ-LJQANCHMSA-N 1 3 338.455 2.757 20 0 EFADHO CNCc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000415913056 312180879 /nfs/dbraw/zinc/18/08/79/312180879.db2.gz ONUOMHXPZCKUGK-UHFFFAOYSA-N 1 3 330.476 2.935 20 0 EFADHO CNCc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000415937012 312181258 /nfs/dbraw/zinc/18/12/58/312181258.db2.gz WVBKCRRKPHKNCU-QGZVFWFLSA-N 1 3 330.476 2.746 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)c1 ZINC000415937583 312181324 /nfs/dbraw/zinc/18/13/24/312181324.db2.gz XVZWEGCRSGVATN-HNNXBMFYSA-N 1 3 330.476 2.744 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415955021 312184671 /nfs/dbraw/zinc/18/46/71/312184671.db2.gz IZQIZIZHVZHRTI-DNVCBOLYSA-N 1 3 338.455 2.787 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccsc1 ZINC000417008626 312194264 /nfs/dbraw/zinc/19/42/64/312194264.db2.gz MEZDDICFERAYHZ-VNQPRFMTSA-N 1 3 338.521 2.510 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C2CC2)N2CCCC2)cc1 ZINC000417353332 312212930 /nfs/dbraw/zinc/21/29/30/312212930.db2.gz ISNQLTHUJAUKDS-IBGZPJMESA-N 1 3 344.503 2.573 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)NC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000417359218 312213937 /nfs/dbraw/zinc/21/39/37/312213937.db2.gz VISARTPLQWLDDF-AOIWGVFYSA-N 1 3 344.503 2.524 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000417535747 312235966 /nfs/dbraw/zinc/23/59/66/312235966.db2.gz AYUAMJYQUCGQHV-QFBILLFUSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000417535747 312235969 /nfs/dbraw/zinc/23/59/69/312235969.db2.gz AYUAMJYQUCGQHV-QFBILLFUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)N(C)Cc1ccccc1 ZINC000417595795 312245633 /nfs/dbraw/zinc/24/56/33/312245633.db2.gz YKJXZKDISCZLFM-KZNAEPCWSA-N 1 3 346.519 2.571 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000417595788 312245705 /nfs/dbraw/zinc/24/57/05/312245705.db2.gz YKFWCQJHXWENSR-FUHWJXTLSA-N 1 3 334.508 2.522 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417614861 312247906 /nfs/dbraw/zinc/24/79/06/312247906.db2.gz WATCLFKODZVLPF-LJQANCHMSA-N 1 3 342.487 2.871 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000417614861 312247909 /nfs/dbraw/zinc/24/79/09/312247909.db2.gz WATCLFKODZVLPF-LJQANCHMSA-N 1 3 342.487 2.871 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000417619532 312248707 /nfs/dbraw/zinc/24/87/07/312248707.db2.gz FFMFXQLIMPSKKR-IAGOWNOFSA-N 1 3 346.519 2.886 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)C1 ZINC000417632463 312249781 /nfs/dbraw/zinc/24/97/81/312249781.db2.gz SUQZCQGZGPYXDB-DOTOQJQBSA-N 1 3 332.492 2.509 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1 ZINC000417635709 312250690 /nfs/dbraw/zinc/25/06/90/312250690.db2.gz WSTKBRIFZWOIHV-MRXNPFEDSA-N 1 3 344.503 2.725 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000417677547 312255603 /nfs/dbraw/zinc/25/56/03/312255603.db2.gz FYMLRJPDEIOGCM-OXQOHEQNSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000417688720 312257262 /nfs/dbraw/zinc/25/72/62/312257262.db2.gz JEAVRSQWTIBSNE-JKSUJKDBSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN[C@@H](C)[C@H]2C)CC1 ZINC000417692619 312257654 /nfs/dbraw/zinc/25/76/54/312257654.db2.gz OSOBDSSDCSVQPW-GVDBMIGSSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000417694544 312257914 /nfs/dbraw/zinc/25/79/14/312257914.db2.gz SIENUMKNAREBAJ-MRXNPFEDSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000417696199 312258399 /nfs/dbraw/zinc/25/83/99/312258399.db2.gz CDBOXJVWHRWLLT-HNNXBMFYSA-N 1 3 334.508 2.742 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000417695946 312258451 /nfs/dbraw/zinc/25/84/51/312258451.db2.gz UYKQNCZIHAOJLG-GPMSIDNRSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000417698700 312258681 /nfs/dbraw/zinc/25/86/81/312258681.db2.gz XYOPSFNSVCRUEJ-MRXNPFEDSA-N 1 3 344.503 2.605 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417704562 312259251 /nfs/dbraw/zinc/25/92/51/312259251.db2.gz LGDQMWKVDJVZKV-LPHOPBHVSA-N 1 3 344.503 2.565 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000417704562 312259253 /nfs/dbraw/zinc/25/92/53/312259253.db2.gz LGDQMWKVDJVZKV-LPHOPBHVSA-N 1 3 344.503 2.565 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1C[C@@H](C)NC[C@H]1C)c1ccccc1 ZINC000417703576 312259281 /nfs/dbraw/zinc/25/92/81/312259281.db2.gz LKNWGFFOWNQWGI-BZUAXINKSA-N 1 3 332.492 2.508 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000417743032 312264244 /nfs/dbraw/zinc/26/42/44/312264244.db2.gz BTDFVJLPFHITPC-BMGDILEWSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000417743032 312264246 /nfs/dbraw/zinc/26/42/46/312264246.db2.gz BTDFVJLPFHITPC-BMGDILEWSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000417760296 312266806 /nfs/dbraw/zinc/26/68/06/312266806.db2.gz XKLRWNWLLXINQD-MDASCCDHSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000417760296 312266807 /nfs/dbraw/zinc/26/68/07/312266807.db2.gz XKLRWNWLLXINQD-MDASCCDHSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000417760297 312266853 /nfs/dbraw/zinc/26/68/53/312266853.db2.gz XKLRWNWLLXINQD-NIKGAXFTSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@H](CN)c2ccc3ccccc3c2)CC[N@H+]1C ZINC000417760297 312266856 /nfs/dbraw/zinc/26/68/56/312266856.db2.gz XKLRWNWLLXINQD-NIKGAXFTSA-N 1 3 340.471 2.622 20 0 EFADHO CN(C)C(=O)c1ccccc1CN1CCC(CCC[NH+](C)C)CC1 ZINC000417805742 312272008 /nfs/dbraw/zinc/27/20/08/312272008.db2.gz DXSNNHADHNFVPI-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC(C)(C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)[C@@H](N)c1ccccc1 ZINC000417834902 312278473 /nfs/dbraw/zinc/27/84/73/312278473.db2.gz VUMYSJBAUACEJM-OTWHNJEPSA-N 1 3 337.467 2.666 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000417886897 312289597 /nfs/dbraw/zinc/28/95/97/312289597.db2.gz ZNUXWCYLRSYAJG-JFRXWTBNSA-N 1 3 344.503 2.561 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000417909417 312293715 /nfs/dbraw/zinc/29/37/15/312293715.db2.gz CTHGRRNXLMLSIE-KVWWFHCMSA-N 1 3 346.519 2.668 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)C1 ZINC000418031726 312312725 /nfs/dbraw/zinc/31/27/25/312312725.db2.gz LDACZDJCHVBSMM-RTBURBONSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000418037740 312314092 /nfs/dbraw/zinc/31/40/92/312314092.db2.gz REPUTNGQUCASOE-FUHWJXTLSA-N 1 3 334.508 2.570 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000418065858 312319676 /nfs/dbraw/zinc/31/96/76/312319676.db2.gz MWALQQMSJZGQNV-GOSISDBHSA-N 1 3 346.519 2.670 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000418111518 312328338 /nfs/dbraw/zinc/32/83/38/312328338.db2.gz HDLORATUJMFXNV-GOSISDBHSA-N 1 3 336.524 2.554 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccco1 ZINC000418162538 312337371 /nfs/dbraw/zinc/33/73/71/312337371.db2.gz GIHYNKDGVVLPQJ-BPUTZDHNSA-N 1 3 336.480 2.526 20 0 EFADHO O=C(NCCN1CCC2(CCCCC2)CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418174833 312339946 /nfs/dbraw/zinc/33/99/46/312339946.db2.gz SEZHBSJBXMHEGQ-MSOLQXFVSA-N 1 3 348.535 2.569 20 0 EFADHO CCCN(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000418175965 312340142 /nfs/dbraw/zinc/34/01/42/312340142.db2.gz GLEWWABQEYIBAJ-ZHALLVOQSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])N(C)C ZINC000418181234 312341371 /nfs/dbraw/zinc/34/13/71/312341371.db2.gz LCIMDWAONDCSTD-JFRXWTBNSA-N 1 3 346.519 2.898 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N2CCC([NH3+])CC2)N(C)C)cc1 ZINC000418186262 312342296 /nfs/dbraw/zinc/34/22/96/312342296.db2.gz CABBLBSVZYPKKM-IBGZPJMESA-N 1 3 346.519 2.621 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])N(C)C ZINC000418187610 312342888 /nfs/dbraw/zinc/34/28/88/312342888.db2.gz SUVXVZSOUDSPJU-XZKMEQPCSA-N 1 3 346.519 2.755 20 0 EFADHO CCCN(C)[C@H](CNC(=O)NC[C@H](C)C[NH3+])c1ccc(Cl)cc1 ZINC000418190203 312343474 /nfs/dbraw/zinc/34/34/74/312343474.db2.gz WFAIZUSAEPYEAV-CZUORRHYSA-N 1 3 340.899 2.617 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000418193355 312344156 /nfs/dbraw/zinc/34/41/56/312344156.db2.gz ZLBDXSGTADQHPP-DWRORGKVSA-N 1 3 346.519 2.674 20 0 EFADHO CCCN(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C1CC[NH2+]CC1 ZINC000418192813 312344350 /nfs/dbraw/zinc/34/43/50/312344350.db2.gz YWPWCGSIZFKKTK-QFBILLFUSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000418196237 312344970 /nfs/dbraw/zinc/34/49/70/312344970.db2.gz HFSGZMSXWBFOKT-MAUKXSAKSA-N 1 3 334.508 2.838 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000418196237 312344971 /nfs/dbraw/zinc/34/49/71/312344971.db2.gz HFSGZMSXWBFOKT-MAUKXSAKSA-N 1 3 334.508 2.838 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])N(C)C)cc1 ZINC000418195366 312345070 /nfs/dbraw/zinc/34/50/70/312345070.db2.gz PSGMQSFUWGLQSX-YJBOKZPZSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418199075 312345546 /nfs/dbraw/zinc/34/55/46/312345546.db2.gz MTRIOZOGEJLYEP-KXBFYZLASA-N 1 3 342.487 2.868 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418199075 312345549 /nfs/dbraw/zinc/34/55/49/312345549.db2.gz MTRIOZOGEJLYEP-KXBFYZLASA-N 1 3 342.487 2.868 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])N(C)C)cc1 ZINC000418200474 312346092 /nfs/dbraw/zinc/34/60/92/312346092.db2.gz YOBUJFLSVQJGLL-KRWDZBQOSA-N 1 3 334.508 2.524 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC([NH3+])CC2)N(CC)CC)cc1 ZINC000418212260 312347710 /nfs/dbraw/zinc/34/77/10/312347710.db2.gz JJRNBMWVNNPCRC-IBGZPJMESA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC([NH3+])CC2)N(CC)CC)cc1 ZINC000418212261 312347761 /nfs/dbraw/zinc/34/77/61/312347761.db2.gz JJRNBMWVNNPCRC-LJQANCHMSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH2+]C)C2)N(CC)CC)cc1 ZINC000418213985 312348194 /nfs/dbraw/zinc/34/81/94/312348194.db2.gz LJKSHAYREDOFTL-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCCNCC2)[NH+](CC)CC)cc1 ZINC000418220088 312349104 /nfs/dbraw/zinc/34/91/04/312349104.db2.gz UCOSEEAESMGQET-LJQANCHMSA-N 1 3 346.519 2.637 20 0 EFADHO CN1CCC(N(Cc2ccco2)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418300958 312358675 /nfs/dbraw/zinc/35/86/75/312358675.db2.gz WWZWINGABWVKBH-UHFFFAOYSA-N 1 3 348.491 2.547 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420342890 312362473 /nfs/dbraw/zinc/36/24/73/312362473.db2.gz QKDROFJUIXUFQV-DKKFBQAASA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420342465 312362666 /nfs/dbraw/zinc/36/26/66/312362666.db2.gz PKLIZGRPILQUDB-KSZLIROESA-N 1 3 329.488 2.952 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420344222 312363139 /nfs/dbraw/zinc/36/31/39/312363139.db2.gz SECJXROESJJECK-BZSNNMDCSA-N 1 3 329.488 2.952 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000420772579 312387261 /nfs/dbraw/zinc/38/72/61/312387261.db2.gz OASVLXBPUUPJOF-RBUKOAKNSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000422822297 312410748 /nfs/dbraw/zinc/41/07/48/312410748.db2.gz AOAHZARWANPEAC-MAUKXSAKSA-N 1 3 333.476 2.785 20 0 EFADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](N)CC2CCCCC2)c1 ZINC000423346188 312414161 /nfs/dbraw/zinc/41/41/61/312414161.db2.gz YNKJDWAKWDAVCH-IBGZPJMESA-N 1 3 347.503 2.541 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000423348153 312414314 /nfs/dbraw/zinc/41/43/14/312414314.db2.gz RWDBIIYMSAUDFB-HXUWFJFHSA-N 1 3 339.483 2.790 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3NCCCC3(C)C)C2)CC1 ZINC000423354209 312414768 /nfs/dbraw/zinc/41/47/68/312414768.db2.gz FUVPTSYGSLCAGZ-QZTJIDSGSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H](C)[NH3+] ZINC000423357088 312415256 /nfs/dbraw/zinc/41/52/56/312415256.db2.gz LMCDVRLUZFIKMZ-PBHICJAKSA-N 1 3 337.533 2.696 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@H](N)CC1CCCCC1 ZINC000423357573 312415384 /nfs/dbraw/zinc/41/53/84/312415384.db2.gz ILGHJQANKVBCCN-GOSISDBHSA-N 1 3 347.503 2.541 20 0 EFADHO Cc1cc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc(C)c1F ZINC000423375201 312417103 /nfs/dbraw/zinc/41/71/03/312417103.db2.gz CYPUBMYYDCRLPQ-DZGCQCFKSA-N 1 3 347.400 2.929 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCSc2ccccc21)N1CC[NH2+]CC1 ZINC000423380097 312417604 /nfs/dbraw/zinc/41/76/04/312417604.db2.gz GWYPFKKBBJPWND-ZFWWWQNUSA-N 1 3 345.434 2.649 20 0 EFADHO CC1(C)C[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423378305 312417916 /nfs/dbraw/zinc/41/79/16/312417916.db2.gz FQUSPUSTOISIIH-JKSUJKDBSA-N 1 3 341.421 2.835 20 0 EFADHO Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383924 312418206 /nfs/dbraw/zinc/41/82/06/312418206.db2.gz JQLWDJLCMABLTO-KBMXLJTQSA-N 1 3 341.421 2.969 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423381588 312418290 /nfs/dbraw/zinc/41/82/90/312418290.db2.gz NTXFFBOHOFXCRV-GJYPPUQNSA-N 1 3 329.488 2.716 20 0 EFADHO CSc1ccccc1[C@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383993 312418346 /nfs/dbraw/zinc/41/83/46/312418346.db2.gz JQXCAVGRBPOLIY-SWLSCSKDSA-N 1 3 347.450 2.895 20 0 EFADHO CC(C)[C@@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H](C)[NH3+] ZINC000423386038 312418444 /nfs/dbraw/zinc/41/84/44/312418444.db2.gz LTKFDZMYCPFTNR-CRAIPNDOSA-N 1 3 349.544 2.836 20 0 EFADHO FC(F)(F)[C@H](CN[C@H]1CCc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000423385293 312418735 /nfs/dbraw/zinc/41/87/35/312418735.db2.gz KKROAOVBFWYCIM-GJZGRUSLSA-N 1 3 347.812 2.753 20 0 EFADHO CC1(C)Cc2occc2[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000423391913 312419026 /nfs/dbraw/zinc/41/90/26/312419026.db2.gz PSFQTHMVMBYJBF-ZFWWWQNUSA-N 1 3 345.409 2.719 20 0 EFADHO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(N)CCN(Cc2ccccc2)CC1 ZINC000423548787 312432397 /nfs/dbraw/zinc/43/23/97/312432397.db2.gz DXOMTVRRZZASQF-PMACEKPBSA-N 1 3 345.531 2.775 20 0 EFADHO CN(C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423753736 312448977 /nfs/dbraw/zinc/44/89/77/312448977.db2.gz XTZMXCGYSHPATB-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423755137 312449195 /nfs/dbraw/zinc/44/91/95/312449195.db2.gz DKKJJTSIWLROLA-YQQQUEKLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)CC1CCCCC1)C1CC[NH2+]CC1 ZINC000423761965 312449920 /nfs/dbraw/zinc/44/99/20/312449920.db2.gz PSDNTLZHTMCFCJ-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO O=C([C@H]1CCC[NH2+]C1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423764902 312450630 /nfs/dbraw/zinc/45/06/30/312450630.db2.gz WGWDUJGDFNTFPI-KRWDZBQOSA-N 1 3 349.906 2.764 20 0 EFADHO CCO[C@H]1C[C@](N)(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)C1(C)C ZINC000423777399 312451829 /nfs/dbraw/zinc/45/18/29/312451829.db2.gz BYFBJYCXBUCBQB-LPHOPBHVSA-N 1 3 333.476 2.528 20 0 EFADHO COc1cc2c(c(CNCC3CC[NH+](C4CC4)CC3)c1)O[C@H](C)C2 ZINC000446889906 312658445 /nfs/dbraw/zinc/65/84/45/312658445.db2.gz DBNVMOJNAYPZMB-CQSZACIVSA-N 1 3 330.472 2.983 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000450971633 312787602 /nfs/dbraw/zinc/78/76/02/312787602.db2.gz PARCGKGBYDNIAL-OALUTQOASA-N 1 3 339.568 2.976 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453094514 312860176 /nfs/dbraw/zinc/86/01/76/312860176.db2.gz PVPDTSNLZPJLIZ-LJQANCHMSA-N 1 3 329.488 2.646 20 0 EFADHO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(OC2CCN(C)CC2)cc1 ZINC000453222312 312882106 /nfs/dbraw/zinc/88/21/06/312882106.db2.gz YOFLXRLLNBWFFW-MRXNPFEDSA-N 1 3 340.471 2.670 20 0 EFADHO CCN1CCC(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455851271 312992356 /nfs/dbraw/zinc/99/23/56/312992356.db2.gz FDCQGDFYCQYCIC-GOSISDBHSA-N 1 3 330.476 2.841 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000457930113 313042098 /nfs/dbraw/zinc/04/20/98/313042098.db2.gz KMAWHBBVWKESSY-IAGOWNOFSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000457930113 313042099 /nfs/dbraw/zinc/04/20/99/313042099.db2.gz KMAWHBBVWKESSY-IAGOWNOFSA-N 1 3 338.540 2.621 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459371658 313102731 /nfs/dbraw/zinc/10/27/31/313102731.db2.gz JZTDHVZKZBHJIU-UHFFFAOYSA-N 1 3 342.915 2.607 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000459371658 313102734 /nfs/dbraw/zinc/10/27/34/313102734.db2.gz JZTDHVZKZBHJIU-UHFFFAOYSA-N 1 3 342.915 2.607 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471767502 313157738 /nfs/dbraw/zinc/15/77/38/313157738.db2.gz HHZPBJZGXLPERE-RBUKOAKNSA-N 1 3 331.504 2.525 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471789755 313159915 /nfs/dbraw/zinc/15/99/15/313159915.db2.gz RDQUUTHBECQPBY-RTBURBONSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1nn(C)cc1CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472348469 313187737 /nfs/dbraw/zinc/18/77/37/313187737.db2.gz QKEKYIRYNVQORQ-AZUAARDMSA-N 1 3 326.488 2.901 20 0 EFADHO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475043005 313214815 /nfs/dbraw/zinc/21/48/15/313214815.db2.gz RWXHCDHXRAUHHE-MOPGFXCFSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475043005 313214818 /nfs/dbraw/zinc/21/48/18/313214818.db2.gz RWXHCDHXRAUHHE-MOPGFXCFSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000475034433 313215285 /nfs/dbraw/zinc/21/52/85/313215285.db2.gz VLEBVXWXSYIPNC-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000475034433 313215287 /nfs/dbraw/zinc/21/52/87/313215287.db2.gz VLEBVXWXSYIPNC-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475043006 313215340 /nfs/dbraw/zinc/21/53/40/313215340.db2.gz RWXHCDHXRAUHHE-OALUTQOASA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000475043006 313215344 /nfs/dbraw/zinc/21/53/44/313215344.db2.gz RWXHCDHXRAUHHE-OALUTQOASA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000478829441 313256676 /nfs/dbraw/zinc/25/66/76/313256676.db2.gz KBWQBEOVYFGBLF-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000478829441 313256680 /nfs/dbraw/zinc/25/66/80/313256680.db2.gz KBWQBEOVYFGBLF-IRXDYDNUSA-N 1 3 346.519 2.810 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000479318618 313264825 /nfs/dbraw/zinc/26/48/25/313264825.db2.gz SGUVAVFQQMOKJZ-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000479318618 313264828 /nfs/dbraw/zinc/26/48/28/313264828.db2.gz SGUVAVFQQMOKJZ-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479347413 313266220 /nfs/dbraw/zinc/26/62/20/313266220.db2.gz QSXKOVFIXIDPJD-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@@H](NC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)N(C)C ZINC000479347413 313266222 /nfs/dbraw/zinc/26/62/22/313266222.db2.gz QSXKOVFIXIDPJD-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479373559 313266947 /nfs/dbraw/zinc/26/69/47/313266947.db2.gz BDWKYMKXXUEUNX-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000479373559 313266949 /nfs/dbraw/zinc/26/69/49/313266949.db2.gz BDWKYMKXXUEUNX-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000479478785 313269420 /nfs/dbraw/zinc/26/94/20/313269420.db2.gz XLTWOBHUDULCTD-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000479478785 313269421 /nfs/dbraw/zinc/26/94/21/313269421.db2.gz XLTWOBHUDULCTD-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCCCC2)[C@@H](C)C1 ZINC000480088657 313278595 /nfs/dbraw/zinc/27/85/95/313278595.db2.gz IRRPUCMBTJZPOV-OALUTQOASA-N 1 3 339.568 2.978 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000484341380 313319687 /nfs/dbraw/zinc/31/96/87/313319687.db2.gz XVOVXGACMILEHE-SFHVURJKSA-N 1 3 338.540 2.626 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCN(C3CCCCC3)CC2)CCCC1 ZINC000485448419 313328236 /nfs/dbraw/zinc/32/82/36/313328236.db2.gz ZVDOVZOOZPWWCZ-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CCOc1c(Cl)cccc1C[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000486947604 313351077 /nfs/dbraw/zinc/35/10/77/313351077.db2.gz VXGFUNNNMCSLJT-OAHLLOKOSA-N 1 3 339.911 2.854 20 0 EFADHO CN1CCC(C[NH2+]C/C=C\c2ccncc2)(N2CCCCC2)CC1 ZINC000487299104 313383889 /nfs/dbraw/zinc/38/38/89/313383889.db2.gz TYDWXPUMZMQTRN-WAYWQWQTSA-N 1 3 328.504 2.635 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000489786628 313605859 /nfs/dbraw/zinc/60/58/59/313605859.db2.gz NRSYTBFQGLSXOE-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)C/C=C\C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000491862097 313794077 /nfs/dbraw/zinc/79/40/77/313794077.db2.gz BYDGPWKPAWBCGO-WAYWQWQTSA-N 1 3 349.906 2.882 20 0 EFADHO C[C@@H]([NH2+]C1(CNC(=O)/C=C\CN(C)C)CCCC1)c1ccccc1 ZINC000491863302 313794195 /nfs/dbraw/zinc/79/41/95/313794195.db2.gz DHJZNHLCRNOAFF-QJWNTBNXSA-N 1 3 329.488 2.884 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492254826 313925711 /nfs/dbraw/zinc/92/57/11/313925711.db2.gz AQEFCFGDTGMEOF-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)/C=C\CN(C)C)CC1 ZINC000493159651 314260975 /nfs/dbraw/zinc/26/09/75/314260975.db2.gz RVNXEDJFUGTIGU-TWGQIWQCSA-N 1 3 329.488 2.653 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2CN(CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC000496273095 315007481 /nfs/dbraw/zinc/00/74/81/315007481.db2.gz ISNMFZYVIBDZCC-DLBZAZTESA-N 1 3 337.508 2.661 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2=CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000496295383 315016596 /nfs/dbraw/zinc/01/65/96/315016596.db2.gz OWQGMUMRUVTCEO-WBVHZDCISA-N 1 3 337.508 2.874 20 0 EFADHO C[C@H](N)C[C@H](C)[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496471580 315078384 /nfs/dbraw/zinc/07/83/84/315078384.db2.gz MDVGIYKQSDGTKG-HOTGVXAUSA-N 1 3 333.476 2.751 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc(CN)nc2C)C1 ZINC000496494590 315087186 /nfs/dbraw/zinc/08/71/86/315087186.db2.gz RVZYPMVRHFHQSX-FMKPAKJESA-N 1 3 348.491 2.756 20 0 EFADHO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000496518292 315096506 /nfs/dbraw/zinc/09/65/06/315096506.db2.gz JCXAVRAEYCBGJZ-JKSUJKDBSA-N 1 3 346.475 2.507 20 0 EFADHO C[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000496547039 315106038 /nfs/dbraw/zinc/10/60/38/315106038.db2.gz DLCYGDBBGUSSHG-HUUCEWRRSA-N 1 3 325.497 2.563 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCCCN1CC ZINC000496575738 315117044 /nfs/dbraw/zinc/11/70/44/315117044.db2.gz VHTPKUABJBXPLM-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCN1 ZINC000496758083 315184809 /nfs/dbraw/zinc/18/48/09/315184809.db2.gz LLBNOILBBKRLNK-CRAIPNDOSA-N 1 3 331.460 2.518 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000496812009 315205101 /nfs/dbraw/zinc/20/51/01/315205101.db2.gz WFJMUOLGDYCURP-HZPDHXFCSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000496812009 315205103 /nfs/dbraw/zinc/20/51/03/315205103.db2.gz WFJMUOLGDYCURP-HZPDHXFCSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)CN1CC[C@H](C[NH+](C)C)C1 ZINC000496812009 315205106 /nfs/dbraw/zinc/20/51/06/315205106.db2.gz WFJMUOLGDYCURP-HZPDHXFCSA-N 1 3 327.513 2.667 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH2+]CCCN2CCCCC2)C1 ZINC000496825406 315209315 /nfs/dbraw/zinc/20/93/15/315209315.db2.gz BAKXYENTTRFQGP-VQIMIIECSA-N 1 3 337.508 2.709 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)CN(C)C ZINC000496833673 315213229 /nfs/dbraw/zinc/21/32/29/315213229.db2.gz ADESGFZDDNGXPM-OWCLPIDISA-N 1 3 327.513 2.809 20 0 EFADHO C[N@H+](CCCN1CCCC1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496846069 315217927 /nfs/dbraw/zinc/21/79/27/315217927.db2.gz KZLQTLDXNDORJE-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@@H+](CCCN1CCCC1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000496846069 315217928 /nfs/dbraw/zinc/21/79/28/315217928.db2.gz KZLQTLDXNDORJE-VQIMIIECSA-N 1 3 337.508 2.661 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496846452 315218065 /nfs/dbraw/zinc/21/80/65/315218065.db2.gz LNJUPXHDKAROQD-PKOBYXMFSA-N 1 3 345.487 2.895 20 0 EFADHO CCOC(=O)N1CCC[C@H]([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000496861197 315223370 /nfs/dbraw/zinc/22/33/70/315223370.db2.gz ZSTATALWARFJOV-USJZOSNVSA-N 1 3 331.460 2.978 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000496900338 315236776 /nfs/dbraw/zinc/23/67/76/315236776.db2.gz GMGHLBQVVIZXOD-CVEARBPZSA-N 1 3 337.508 2.707 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](CC3(CNC(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000496900338 315236778 /nfs/dbraw/zinc/23/67/78/315236778.db2.gz GMGHLBQVVIZXOD-CVEARBPZSA-N 1 3 337.508 2.707 20 0 EFADHO CN(CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085914 315304321 /nfs/dbraw/zinc/30/43/21/315304321.db2.gz ZQDJRICLNWIJNQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000497085914 315304324 /nfs/dbraw/zinc/30/43/24/315304324.db2.gz ZQDJRICLNWIJNQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085914 315304327 /nfs/dbraw/zinc/30/43/27/315304327.db2.gz ZQDJRICLNWIJNQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO CN(CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C)C1)C(=O)OC(C)(C)C ZINC000497085914 315304330 /nfs/dbraw/zinc/30/43/30/315304330.db2.gz ZQDJRICLNWIJNQ-JKSUJKDBSA-N 1 3 325.497 2.660 20 0 EFADHO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000497120212 315316725 /nfs/dbraw/zinc/31/67/25/315316725.db2.gz OLENYMIZQBLMMS-OAHLLOKOSA-N 1 3 348.491 2.801 20 0 EFADHO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000497120211 315316867 /nfs/dbraw/zinc/31/68/67/315316867.db2.gz OLENYMIZQBLMMS-HNNXBMFYSA-N 1 3 348.491 2.801 20 0 EFADHO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000497304414 315386677 /nfs/dbraw/zinc/38/66/77/315386677.db2.gz LZOLTIBYDJQVNZ-ZIAGYGMSSA-N 1 3 325.497 2.752 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000504433392 315449452 /nfs/dbraw/zinc/44/94/52/315449452.db2.gz HSIVHIUZVZBJKY-QGZVFWFLSA-N 1 3 328.545 2.723 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510730757 315511186 /nfs/dbraw/zinc/51/11/86/315511186.db2.gz GQWVXLLXUWFSQZ-MRXNPFEDSA-N 1 3 339.474 2.903 20 0 EFADHO C[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC[C@H]1O ZINC000514930727 315576575 /nfs/dbraw/zinc/57/65/75/315576575.db2.gz OKJGDMXHVYSITC-VBSBHUPXSA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000515223643 315602655 /nfs/dbraw/zinc/60/26/55/315602655.db2.gz WZSGYQVYKWBVBN-RTBURBONSA-N 1 3 344.503 2.690 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000521026725 315994197 /nfs/dbraw/zinc/99/41/97/315994197.db2.gz FLCLCVGQUSUWJN-YJBOKZPZSA-N 1 3 336.524 2.600 20 0 EFADHO C[C@@]1(NC(=O)C2CC[NH+](C3CC3)CC2)CCN(Cc2ccccc2)C1 ZINC000521444086 316024554 /nfs/dbraw/zinc/02/45/54/316024554.db2.gz NOZXTNSCILLWIQ-OAQYLSRUSA-N 1 3 341.499 2.642 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000521891835 316050618 /nfs/dbraw/zinc/05/06/18/316050618.db2.gz KENPVPLYYUHRCK-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000521891835 316050622 /nfs/dbraw/zinc/05/06/22/316050622.db2.gz KENPVPLYYUHRCK-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CCCN(C(C)(C)C)CC2)CCCCC1 ZINC000521896721 316051581 /nfs/dbraw/zinc/05/15/81/316051581.db2.gz VFAUTGWIXWZTOQ-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cncc(Br)c1 ZINC000522015693 316064765 /nfs/dbraw/zinc/06/47/65/316064765.db2.gz ZRBVRZLFEFJEQJ-IUODEOHRSA-N 1 3 344.297 2.852 20 0 EFADHO C[C@H]1CCCC[C@@H]1CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000522109209 316071137 /nfs/dbraw/zinc/07/11/37/316071137.db2.gz VUKPZDSBWLYRHU-DLBZAZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)C(C)(C)C ZINC000522604417 316093516 /nfs/dbraw/zinc/09/35/16/316093516.db2.gz OFFYXRMVQVEIBG-INIZCTEOSA-N 1 3 340.556 2.869 20 0 EFADHO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Nc2ccncc2)cc1 ZINC000522847402 316103003 /nfs/dbraw/zinc/10/30/03/316103003.db2.gz RRCXPNXZNDTPKW-UHFFFAOYSA-N 1 3 336.439 2.604 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000523137467 316113040 /nfs/dbraw/zinc/11/30/40/316113040.db2.gz GWOVMWMOTXRLIQ-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000523137467 316113043 /nfs/dbraw/zinc/11/30/43/316113043.db2.gz GWOVMWMOTXRLIQ-LJQANCHMSA-N 1 3 346.519 2.538 20 0 EFADHO C[NH+](C)C1(CNC(=O)N2CC[C@@H](N3CCCC3)C2)CCCCCC1 ZINC000524047111 316145896 /nfs/dbraw/zinc/14/58/96/316145896.db2.gz XSLCUJDNRGPWGC-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000524151196 316148384 /nfs/dbraw/zinc/14/83/84/316148384.db2.gz VXDNYJYJUUGMIG-UHFFFAOYSA-N 1 3 348.491 2.621 20 0 EFADHO CC(C)C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000524905836 316181493 /nfs/dbraw/zinc/18/14/93/316181493.db2.gz HZLVWTSDUQJYAI-LJQANCHMSA-N 1 3 348.535 2.909 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)Cc1ccccc1 ZINC000525484855 316216670 /nfs/dbraw/zinc/21/66/70/316216670.db2.gz UTGVABXYKGWDAU-NSHGMRRFSA-N 1 3 345.531 2.929 20 0 EFADHO Cc1c([C@H](C)[NH2+]CCCCN2CCN(C)CC2)cnn1C(C)(C)C ZINC000526050539 316283130 /nfs/dbraw/zinc/28/31/30/316283130.db2.gz VXOQXTWONYIETE-INIZCTEOSA-N 1 3 335.540 2.625 20 0 EFADHO Cc1coc2ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)cc12 ZINC000527381605 316376214 /nfs/dbraw/zinc/37/62/14/316376214.db2.gz ICNHNFQNAUCAMG-UHFFFAOYSA-N 1 3 332.448 2.698 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cc(O)ccc3C)CC2)CC1 ZINC000529922791 317002044 /nfs/dbraw/zinc/00/20/44/317002044.db2.gz QDBIJVRQYGXQFS-UHFFFAOYSA-N 1 3 345.487 2.835 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(CN)nc2C)OC)c1 ZINC000530211515 317081617 /nfs/dbraw/zinc/08/16/17/317081617.db2.gz NYONXUSTHRKLHT-YJYMSZOUSA-N 1 3 329.444 2.896 20 0 EFADHO c1cc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530248440 317091119 /nfs/dbraw/zinc/09/11/19/317091119.db2.gz KPXYLBDSEMSXAR-QGZVFWFLSA-N 1 3 346.500 2.729 20 0 EFADHO CN(C)CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000530667780 317162482 /nfs/dbraw/zinc/16/24/82/317162482.db2.gz WJAPRSJAJHBQIG-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000530667780 317162485 /nfs/dbraw/zinc/16/24/85/317162485.db2.gz WJAPRSJAJHBQIG-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1ccc([C@H](C)CC(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000530881322 317190675 /nfs/dbraw/zinc/19/06/75/317190675.db2.gz RDNBMTAZDSDJNY-QGZVFWFLSA-N 1 3 333.520 2.694 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cccc(-n3cccn3)c2)C[C@H](C)O1 ZINC000531612358 317289986 /nfs/dbraw/zinc/28/99/86/317289986.db2.gz MSFVUGLXLKWYAZ-ROUUACIJSA-N 1 3 342.487 2.851 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(-n2cccn2)cc1 ZINC000531941076 317334733 /nfs/dbraw/zinc/33/47/33/317334733.db2.gz JNBBZIHLPABURQ-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531979578 317338766 /nfs/dbraw/zinc/33/87/66/317338766.db2.gz KSLHBNWUFMLXDR-YOEHRIQHSA-N 1 3 333.476 2.579 20 0 EFADHO COC1CCN(C2(C[NH2+]C3CCN(CC4CC4)CC3)CCCC2)CC1 ZINC000532230944 317371794 /nfs/dbraw/zinc/37/17/94/317371794.db2.gz LJXHEBXMRJWXQN-UHFFFAOYSA-N 1 3 349.563 2.874 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C1(C)C ZINC000540597783 317747617 /nfs/dbraw/zinc/74/76/17/317747617.db2.gz ZBGOAUQGIALKMW-QZTJIDSGSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000543680313 317858396 /nfs/dbraw/zinc/85/83/96/317858396.db2.gz RATWQAGDVKKZKX-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547738124 318035647 /nfs/dbraw/zinc/03/56/47/318035647.db2.gz CBDMOHXBHFGQQD-UHFFFAOYSA-N 1 3 335.492 2.824 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547738124 318035648 /nfs/dbraw/zinc/03/56/48/318035648.db2.gz CBDMOHXBHFGQQD-UHFFFAOYSA-N 1 3 335.492 2.824 20 0 EFADHO C[C@H]1CCN(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548695003 318133393 /nfs/dbraw/zinc/13/33/93/318133393.db2.gz DNXIRBPHENTCQX-SFHVURJKSA-N 1 3 343.515 2.747 20 0 EFADHO COc1ccc2c(c1)CCC[N@@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000548783682 318143412 /nfs/dbraw/zinc/14/34/12/318143412.db2.gz DVMDUGUCEGYANQ-UHFFFAOYSA-N 1 3 345.531 2.860 20 0 EFADHO COc1ccc2c(c1)CCC[N@H+](CCCN1CCN(C(C)C)CC1)C2 ZINC000548783682 318143414 /nfs/dbraw/zinc/14/34/14/318143414.db2.gz DVMDUGUCEGYANQ-UHFFFAOYSA-N 1 3 345.531 2.860 20 0 EFADHO C[N@@H+]1CC[C@@H](NCCC(=O)Nc2ccccn2)C[C@H]1c1ccccc1 ZINC000551015678 318200381 /nfs/dbraw/zinc/20/03/81/318200381.db2.gz YRSQORIVPZDNKD-MSOLQXFVSA-N 1 3 338.455 2.835 20 0 EFADHO C[N@H+]1CC[C@@H](NCCC(=O)Nc2ccccn2)C[C@H]1c1ccccc1 ZINC000551015678 318200384 /nfs/dbraw/zinc/20/03/84/318200384.db2.gz YRSQORIVPZDNKD-MSOLQXFVSA-N 1 3 338.455 2.835 20 0 EFADHO C[C@@H](CCc1ccc(F)cc1F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000552047057 318240148 /nfs/dbraw/zinc/24/01/48/318240148.db2.gz YQSHPUPXORJSFU-MAUKXSAKSA-N 1 3 340.458 2.968 20 0 EFADHO CCCN1CCC[C@H]1C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000552098413 318242465 /nfs/dbraw/zinc/24/24/65/318242465.db2.gz BRUBWHVEHCQHTK-GBESFXJTSA-N 1 3 325.541 2.587 20 0 EFADHO O=C(CNC1CC(c2ccccc2)C1)NCC[NH+]1CCCCCC1 ZINC000552279392 318250686 /nfs/dbraw/zinc/25/06/86/318250686.db2.gz FNTKFVYKTSTKDJ-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(CC[C@@H](C)[NH2+]CC(=O)NCCN2CCCCCC2)cc1 ZINC000552278734 318250950 /nfs/dbraw/zinc/25/09/50/318250950.db2.gz KFVFJQUGTHUKCS-LJQANCHMSA-N 1 3 345.531 2.898 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000552275824 318251019 /nfs/dbraw/zinc/25/10/19/318251019.db2.gz BGGVYSFDJVMXHI-ACRUOGEOSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCCN4CCC4)[C@H]3C2)cc1 ZINC000552275824 318251021 /nfs/dbraw/zinc/25/10/21/318251021.db2.gz BGGVYSFDJVMXHI-ACRUOGEOSA-N 1 3 327.516 2.973 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000552275824 318251023 /nfs/dbraw/zinc/25/10/23/318251023.db2.gz BGGVYSFDJVMXHI-ACRUOGEOSA-N 1 3 327.516 2.973 20 0 EFADHO COc1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)cc1 ZINC000552370037 318253807 /nfs/dbraw/zinc/25/38/07/318253807.db2.gz QBYNGMHIVDQEEZ-LJQANCHMSA-N 1 3 347.503 2.680 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553257258 318276731 /nfs/dbraw/zinc/27/67/31/318276731.db2.gz XTURUVWPXXUZKL-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H]1[C@@H](C)CCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553556974 318287102 /nfs/dbraw/zinc/28/71/02/318287102.db2.gz PZBWPYFYCACQJN-QFBILLFUSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000554522843 318320090 /nfs/dbraw/zinc/32/00/90/318320090.db2.gz WSEVCHPVTOUVBH-APWZRJJASA-N 1 3 343.515 2.934 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)CC1 ZINC000554883002 318339080 /nfs/dbraw/zinc/33/90/80/318339080.db2.gz RRFILPZVBZOHMX-UHFFFAOYSA-N 1 3 338.499 2.694 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000555105224 318345955 /nfs/dbraw/zinc/34/59/55/318345955.db2.gz VBKYLRUGZQTCKC-BRSBDYLESA-N 1 3 331.504 2.884 20 0 EFADHO CN1CCCN(CCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000556584537 318394220 /nfs/dbraw/zinc/39/42/20/318394220.db2.gz WJRGARKQGZUFKX-UXHICEINSA-N 1 3 345.531 2.850 20 0 EFADHO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)NCCN1CCCCCC1 ZINC000556888671 318417590 /nfs/dbraw/zinc/41/75/90/318417590.db2.gz GFQJIFZQCNEQEE-UXHICEINSA-N 1 3 343.515 2.905 20 0 EFADHO C[C@@H](CCc1ccccc1)[NH2+]CC(=O)NCCN1CCCCCC1 ZINC000556889666 318417733 /nfs/dbraw/zinc/41/77/33/318417733.db2.gz OMCABQAIONPFGC-SFHVURJKSA-N 1 3 331.504 2.590 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000561044765 318584246 /nfs/dbraw/zinc/58/42/46/318584246.db2.gz GNOXOBRLVRNUPD-UHFFFAOYSA-N 1 3 330.476 2.670 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc3c2CCNC3)CC1 ZINC000561046926 318584472 /nfs/dbraw/zinc/58/44/72/318584472.db2.gz ZMWPHAORZKLFMO-UHFFFAOYSA-N 1 3 330.476 2.717 20 0 EFADHO CC[NH+]1CCC(CNC(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000562297439 318632074 /nfs/dbraw/zinc/63/20/74/318632074.db2.gz VXBBFYQYULLFOP-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CC[NH+]1CCC(CNc2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000562721647 318691220 /nfs/dbraw/zinc/69/12/20/318691220.db2.gz MNLCCCVOFKBATL-UHFFFAOYSA-N 1 3 329.444 2.818 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cn1 ZINC000562750673 318696002 /nfs/dbraw/zinc/69/60/02/318696002.db2.gz QPOHVTGWBNUHGR-ICSRJNTNSA-N 1 3 346.519 2.645 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000562811321 318703338 /nfs/dbraw/zinc/70/33/38/318703338.db2.gz YQFJPOPETLZJHX-OXQOHEQNSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000562811294 318703344 /nfs/dbraw/zinc/70/33/44/318703344.db2.gz XJIHRVLZLLQREW-CGTJXYLNSA-N 1 3 344.503 2.509 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)C1(C[NH3+])CCCC1 ZINC000563205985 318753906 /nfs/dbraw/zinc/75/39/06/318753906.db2.gz ILOYZDWUKKPXFL-UHFFFAOYSA-N 1 3 344.503 2.666 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000563345359 318771042 /nfs/dbraw/zinc/77/10/42/318771042.db2.gz BXFBEBWHALSASH-SJORKVTESA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](N)c1ccccc1 ZINC000563588294 318799570 /nfs/dbraw/zinc/79/95/70/318799570.db2.gz ZGXQSRTVXRUNCU-OKZBNKHCSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H](N)c1ccccc1 ZINC000564656793 318878635 /nfs/dbraw/zinc/87/86/35/318878635.db2.gz ZLEBJTNRQKIARI-VXDRYFKJSA-N 1 3 341.499 2.592 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CNCc2ccccc21 ZINC000564726309 318885554 /nfs/dbraw/zinc/88/55/54/318885554.db2.gz OGMVODZDCWIPIF-IHPCNDPISA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OCCN(C)C)c1 ZINC000564844691 318898452 /nfs/dbraw/zinc/89/84/52/318898452.db2.gz LRCOVMOGAOZSNE-DYESRHJHSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000565764730 318999886 /nfs/dbraw/zinc/99/98/86/318999886.db2.gz ONCMQZIGSXBRGJ-WDSOQIARSA-N 1 3 344.503 2.735 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC[C@H](C)C3)CC2)CC1 ZINC000565843827 319008532 /nfs/dbraw/zinc/00/85/32/319008532.db2.gz PTCKXWSJKVGYDC-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cc(NC(=O)CCCC[NH3+])cc(N2CCN(C(C)C)CC2)c1 ZINC000565890172 319012275 /nfs/dbraw/zinc/01/22/75/319012275.db2.gz MFAHGXLJJBKEQP-UHFFFAOYSA-N 1 3 332.492 2.593 20 0 EFADHO C/C=C\c1ccc(OC[C@@H](O)CNC2CC[NH+](CC)CC2)c(OC)c1 ZINC000566107570 319033116 /nfs/dbraw/zinc/03/31/16/319033116.db2.gz LVVYOJUCOUIWQO-SUZKBHRPSA-N 1 3 348.487 2.542 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000566112181 319034112 /nfs/dbraw/zinc/03/41/12/319034112.db2.gz LFTLBZQPNBGZQK-QEUVDIPISA-N 1 3 346.515 2.904 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000566112181 319034113 /nfs/dbraw/zinc/03/41/13/319034113.db2.gz LFTLBZQPNBGZQK-QEUVDIPISA-N 1 3 346.515 2.904 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000566112179 319034296 /nfs/dbraw/zinc/03/42/96/319034296.db2.gz LFTLBZQPNBGZQK-JTJHWIPRSA-N 1 3 346.515 2.904 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000566112179 319034298 /nfs/dbraw/zinc/03/42/98/319034298.db2.gz LFTLBZQPNBGZQK-JTJHWIPRSA-N 1 3 346.515 2.904 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000566156242 319041480 /nfs/dbraw/zinc/04/14/80/319041480.db2.gz SQEPRVKCYCOZOM-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO CC(C)NC(=O)NCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000566156242 319041481 /nfs/dbraw/zinc/04/14/81/319041481.db2.gz SQEPRVKCYCOZOM-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH2+]CCCNC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000566551284 319088935 /nfs/dbraw/zinc/08/89/35/319088935.db2.gz MNFBHLPEHMOCJY-IBGZPJMESA-N 1 3 346.519 2.758 20 0 EFADHO C[C@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@H]1COc2ccccc21 ZINC000566556818 319089172 /nfs/dbraw/zinc/08/91/72/319089172.db2.gz DYLQGOJQLTWMSB-SUMWQHHRSA-N 1 3 327.428 2.796 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC1CCN(c2ccncc2)CC1)[C@H](C)[NH3+] ZINC000566622027 319095799 /nfs/dbraw/zinc/09/57/99/319095799.db2.gz OQSCDUSTBOQZAQ-QFBILLFUSA-N 1 3 346.519 2.766 20 0 EFADHO CCOC[C@H](O)CNCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000566791423 319110666 /nfs/dbraw/zinc/11/06/66/319110666.db2.gz BHDNKGFKPFBPSX-ABSDTBQOSA-N 1 3 334.504 2.652 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000566908890 319120879 /nfs/dbraw/zinc/12/08/79/319120879.db2.gz CPERTQJBSSMWNM-WJFTUGDTSA-N 1 3 342.487 2.803 20 0 EFADHO C[C@@H]1[C@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)C[C@@H]1c1ccccc1 ZINC000566909942 319120884 /nfs/dbraw/zinc/12/08/84/319120884.db2.gz SYOSXIHGOJNPMG-RRQGHBQHSA-N 1 3 325.460 2.554 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000566908891 319121099 /nfs/dbraw/zinc/12/10/99/319121099.db2.gz CPERTQJBSSMWNM-ZSYWTGECSA-N 1 3 342.487 2.803 20 0 EFADHO O=C(Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCCCC[NH2+]1 ZINC000567391027 319167407 /nfs/dbraw/zinc/16/74/07/319167407.db2.gz OUTLQODPVNBXOI-GOSISDBHSA-N 1 3 347.528 2.749 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)CCN(C)C)cc2cccnc12 ZINC000567399652 319167706 /nfs/dbraw/zinc/16/77/06/319167706.db2.gz NBZVOMLUMDJERU-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)CCN(C)C)cc2cccnc12 ZINC000567399652 319167708 /nfs/dbraw/zinc/16/77/08/319167708.db2.gz NBZVOMLUMDJERU-UHFFFAOYSA-N 1 3 328.504 2.859 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000567709209 319201902 /nfs/dbraw/zinc/20/19/02/319201902.db2.gz MDYFRFVKRNCLLX-AWEZNQCLSA-N 1 3 346.393 2.563 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000567746497 319206660 /nfs/dbraw/zinc/20/66/60/319206660.db2.gz RMFWAAIDTXJJJL-OAGGEKHMSA-N 1 3 335.517 2.909 20 0 EFADHO CCN(Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1)C1CC1 ZINC000567847714 319217362 /nfs/dbraw/zinc/21/73/62/319217362.db2.gz YFKRLUNINWJGIK-FUHWJXTLSA-N 1 3 329.488 2.918 20 0 EFADHO CC[N@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000568164343 319251717 /nfs/dbraw/zinc/25/17/17/319251717.db2.gz QIEOUVWXNOESNM-HNNXBMFYSA-N 1 3 343.309 2.672 20 0 EFADHO CC[N@@H+](C)C[C@@H](O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000568164343 319251718 /nfs/dbraw/zinc/25/17/18/319251718.db2.gz QIEOUVWXNOESNM-HNNXBMFYSA-N 1 3 343.309 2.672 20 0 EFADHO Cc1n[nH]c(CC[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000568358215 319274050 /nfs/dbraw/zinc/27/40/50/319274050.db2.gz ILYIGVDTNIOINR-QRVBRYPASA-N 1 3 339.487 2.688 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)N2CCCC2)cc1 ZINC000568370822 319276931 /nfs/dbraw/zinc/27/69/31/319276931.db2.gz RFWRIIIWUQUWBK-UHOSZYNNSA-N 1 3 344.503 2.511 20 0 EFADHO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(C)C)C1 ZINC000568383854 319278044 /nfs/dbraw/zinc/27/80/44/319278044.db2.gz MGLAKYCBVOUATM-OALUTQOASA-N 1 3 334.504 2.753 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000568389574 319278877 /nfs/dbraw/zinc/27/88/77/319278877.db2.gz PEOFYAWDCQAEMX-NQIIRXRSSA-N 1 3 343.515 2.889 20 0 EFADHO OC[C@H](CC1CCCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568499287 319289726 /nfs/dbraw/zinc/28/97/26/319289726.db2.gz CZWBBJFLNMBHSU-QRFRQXIXSA-N 1 3 330.472 2.773 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000568512850 319291408 /nfs/dbraw/zinc/29/14/08/319291408.db2.gz NINVLYKAAGASBI-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CNCc2ccccc21 ZINC000568512850 319291410 /nfs/dbraw/zinc/29/14/10/319291410.db2.gz NINVLYKAAGASBI-LJQANCHMSA-N 1 3 329.488 2.596 20 0 EFADHO CNC[C@](C)(O)C[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638777 319304679 /nfs/dbraw/zinc/30/46/79/319304679.db2.gz FUAPAGSMSVSFFF-KSSFIOAISA-N 1 3 340.895 2.574 20 0 EFADHO CNC[C@](C)(O)C[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000568638777 319304682 /nfs/dbraw/zinc/30/46/82/319304682.db2.gz FUAPAGSMSVSFFF-KSSFIOAISA-N 1 3 340.895 2.574 20 0 EFADHO CC(C)[C@H](O)C1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000568740826 319314103 /nfs/dbraw/zinc/31/41/03/319314103.db2.gz WMTMUXWFRGRMDA-IMFGXOCKSA-N 1 3 330.472 2.629 20 0 EFADHO C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568974029 319335564 /nfs/dbraw/zinc/33/55/64/319335564.db2.gz XYIWMHPQSKRHIY-QXAKKESOSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000569457680 319382231 /nfs/dbraw/zinc/38/22/31/319382231.db2.gz MKCJYVNPBDZRBC-AYOQOUSVSA-N 1 3 344.503 2.639 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H](C)[C@H](C)C3)CC2)CC1 ZINC000569590261 319395415 /nfs/dbraw/zinc/39/54/15/319395415.db2.gz VPZMSXFMZKFJGJ-IAGOWNOFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000569594905 319396192 /nfs/dbraw/zinc/39/61/92/319396192.db2.gz HOSZWAAVKPNRBX-QGZVFWFLSA-N 1 3 345.487 2.618 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N2CCCC2)cc1 ZINC000569850898 319421420 /nfs/dbraw/zinc/42/14/20/319421420.db2.gz MENSYPWTRBDQGW-RTBURBONSA-N 1 3 329.488 2.780 20 0 EFADHO Cc1nn2c(CN[C@@H]3C[C@H]3C3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000571178266 319549593 /nfs/dbraw/zinc/54/95/93/319549593.db2.gz RFFQNBCHIXPTPQ-UONOGXRCSA-N 1 3 333.505 2.700 20 0 EFADHO O[C@H](CCc1ccccc1)C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000571993988 319626326 /nfs/dbraw/zinc/62/63/26/319626326.db2.gz IRXVUHSIIPLZSV-OAQYLSRUSA-N 1 3 339.483 2.881 20 0 EFADHO FC(F)c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000572583705 319684411 /nfs/dbraw/zinc/68/44/11/319684411.db2.gz GEEBRERWGOXSHD-ZDUSSCGKSA-N 1 3 337.336 2.550 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000574524712 319870626 /nfs/dbraw/zinc/87/06/26/319870626.db2.gz HNBDRZXKJJIDKK-HOTGVXAUSA-N 1 3 331.504 2.876 20 0 EFADHO Cc1cccc(NCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000575243651 319937868 /nfs/dbraw/zinc/93/78/68/319937868.db2.gz XDKQIHSTUAVIQF-PXNSSMCTSA-N 1 3 338.455 2.647 20 0 EFADHO Cc1c([C@@H](C)NCC[C@H]2CC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000575372892 319942534 /nfs/dbraw/zinc/94/25/34/319942534.db2.gz BWDXRRRQNYTCPV-TZMCWYRMSA-N 1 3 333.867 2.879 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CC[C@@H](C)C3)CC2)CC1 ZINC000576359149 320009718 /nfs/dbraw/zinc/00/97/18/320009718.db2.gz FRBBGEIAVROYHZ-SJORKVTESA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000576634151 320034126 /nfs/dbraw/zinc/03/41/26/320034126.db2.gz SUZBXIPVOYHMGV-HZPDHXFCSA-N 1 3 329.488 2.818 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000576634151 320034127 /nfs/dbraw/zinc/03/41/27/320034127.db2.gz SUZBXIPVOYHMGV-HZPDHXFCSA-N 1 3 329.488 2.818 20 0 EFADHO COC1(CNC[C@@H](O)C[N@H+](C)C2CC2)CCC(c2ccccc2)CC1 ZINC000576697607 320039998 /nfs/dbraw/zinc/03/99/98/320039998.db2.gz BKMZEONQHCFEEG-VEDCXYSMSA-N 1 3 346.515 2.774 20 0 EFADHO COC1(CNC[C@@H](O)C[N@@H+](C)C2CC2)CCC(c2ccccc2)CC1 ZINC000576697607 320039999 /nfs/dbraw/zinc/03/99/99/320039999.db2.gz BKMZEONQHCFEEG-VEDCXYSMSA-N 1 3 346.515 2.774 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000576849456 320054576 /nfs/dbraw/zinc/05/45/76/320054576.db2.gz WHNMCPGSMYWWEA-SJLPKXTDSA-N 1 3 334.508 2.709 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccc(C)cc1 ZINC000576861201 320055004 /nfs/dbraw/zinc/05/50/04/320055004.db2.gz HUFIRQLUHRIRFW-LEUOFYLZSA-N 1 3 339.487 2.923 20 0 EFADHO CSC[C@H](O)CN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000577115568 320078732 /nfs/dbraw/zinc/07/87/32/320078732.db2.gz SMDLTNXBRVOTTL-HUUCEWRRSA-N 1 3 328.547 2.534 20 0 EFADHO CSC[C@H](O)CN(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000577115568 320078734 /nfs/dbraw/zinc/07/87/34/320078734.db2.gz SMDLTNXBRVOTTL-HUUCEWRRSA-N 1 3 328.547 2.534 20 0 EFADHO C[C@H](CC[NH+](C)C)NC[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000577602504 320125866 /nfs/dbraw/zinc/12/58/66/320125866.db2.gz CYRUMIASUPUXSO-KEYYUXOJSA-N 1 3 328.884 2.708 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(NC(=O)c2ccncc2)cc1 ZINC000577856470 320151658 /nfs/dbraw/zinc/15/16/58/320151658.db2.gz MYHZDLQPYWFBAC-BEFAXECRSA-N 1 3 338.455 2.812 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@H](O)COc1ccccc1F)C(C)(C)C ZINC000578006745 320164078 /nfs/dbraw/zinc/16/40/78/320164078.db2.gz REYFMKYJYJCMDC-YOEHRIQHSA-N 1 3 326.456 2.521 20 0 EFADHO CC(C)[C@H](CO)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000578044817 320168516 /nfs/dbraw/zinc/16/85/16/320168516.db2.gz URUUFSFPRUSDCG-SFHVURJKSA-N 1 3 333.520 2.571 20 0 EFADHO CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(CC[NH3+])CC1 ZINC000578242181 320188289 /nfs/dbraw/zinc/18/82/89/320188289.db2.gz MDSOPDBWZSMJDD-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)C[NH2+]CC[C@H](C)N1CCCCC1 ZINC000578500174 320211577 /nfs/dbraw/zinc/21/15/77/320211577.db2.gz OXXBZCNMSYOKDT-RBUKOAKNSA-N 1 3 334.504 2.897 20 0 EFADHO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000181468169 323235585 /nfs/dbraw/zinc/23/55/85/323235585.db2.gz LBUVOYGCDXKZOE-ZWKOTPCHSA-N 1 3 325.541 2.586 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(C)C ZINC000181468221 323235852 /nfs/dbraw/zinc/23/58/52/323235852.db2.gz LBUVOYGCDXKZOE-MSOLQXFVSA-N 1 3 325.541 2.586 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]CCCN2CCN(CC)CC2)C1(C)C ZINC000181492435 323236594 /nfs/dbraw/zinc/23/65/94/323236594.db2.gz LSSNJZRBGWDRJK-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCCCO[C@H]1C[C@@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000181705710 323245299 /nfs/dbraw/zinc/24/52/99/323245299.db2.gz RVUHLRATTZTQHD-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(CC)CC ZINC000181704744 323245552 /nfs/dbraw/zinc/24/55/52/323245552.db2.gz ZFXCDTSAVDOLFK-ZWKOTPCHSA-N 1 3 325.541 2.587 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccnc(OCCN(C)C)c1 ZINC000182091458 323263570 /nfs/dbraw/zinc/26/35/70/323263570.db2.gz JBONISZFDXLOGQ-DLBZAZTESA-N 1 3 335.492 2.705 20 0 EFADHO CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCCN1CCCCC1 ZINC000182961339 323309213 /nfs/dbraw/zinc/30/92/13/323309213.db2.gz HFXIBGPEKXVXMJ-DLBZAZTESA-N 1 3 330.538 2.588 20 0 EFADHO C[C@H](CCNC(=O)NC[C@H](c1ccccc1)N(C)C)[NH+]1CCCCC1 ZINC000184696991 323372546 /nfs/dbraw/zinc/37/25/46/323372546.db2.gz QCQAMUJRSGMXPC-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CCCN2CCOCC2)CC1 ZINC000191823303 323470625 /nfs/dbraw/zinc/47/06/25/323470625.db2.gz FXLOSZDFNZSCAY-UHFFFAOYSA-N 1 3 325.541 2.543 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849172 323514746 /nfs/dbraw/zinc/51/47/46/323514746.db2.gz KCOFKCIDAXENPK-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000381887748 323745075 /nfs/dbraw/zinc/74/50/75/323745075.db2.gz CHIJGYVCYPTGDB-HZPDHXFCSA-N 1 3 327.513 2.953 20 0 EFADHO CCN(CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000381887746 323745001 /nfs/dbraw/zinc/74/50/01/323745001.db2.gz CHIJGYVCYPTGDB-CVEARBPZSA-N 1 3 327.513 2.953 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)ncn1 ZINC000579225602 323911273 /nfs/dbraw/zinc/91/12/73/323911273.db2.gz UNNAGRWQBCFPPR-WJFTUGDTSA-N 1 3 343.519 2.518 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000579232188 323914306 /nfs/dbraw/zinc/91/43/06/323914306.db2.gz LYGSIUASATWFIZ-ZWKOTPCHSA-N 1 3 331.504 2.964 20 0 EFADHO OC[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000579341973 323936857 /nfs/dbraw/zinc/93/68/57/323936857.db2.gz HYCXGRNAKZBOFK-WSTZPKSXSA-N 1 3 330.472 2.773 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000579689979 324011120 /nfs/dbraw/zinc/01/11/20/324011120.db2.gz COXMQGZWXFIQJW-QGZVFWFLSA-N 1 3 346.519 2.899 20 0 EFADHO COCC[N@H+](C)C[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000579727705 324021901 /nfs/dbraw/zinc/02/19/01/324021901.db2.gz VGRIWRBTHDWOAC-DLBZAZTESA-N 1 3 328.884 2.566 20 0 EFADHO COCC[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000579727705 324021905 /nfs/dbraw/zinc/02/19/05/324021905.db2.gz VGRIWRBTHDWOAC-DLBZAZTESA-N 1 3 328.884 2.566 20 0 EFADHO C[C@H](CC[NH+](C)C)NCCC(=O)Nc1ccc(Br)cc1 ZINC000579801356 324031867 /nfs/dbraw/zinc/03/18/67/324031867.db2.gz LNQFDCTYHKOGEZ-GFCCVEGCSA-N 1 3 342.281 2.708 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000579824966 324039220 /nfs/dbraw/zinc/03/92/20/324039220.db2.gz DWDKLQAIMAKPLQ-RTBURBONSA-N 1 3 334.504 2.897 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000580190624 324117454 /nfs/dbraw/zinc/11/74/54/324117454.db2.gz CHHYCZHMNRSSCE-SFHVURJKSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]([NH3+])C1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)CC1 ZINC000580292336 324133765 /nfs/dbraw/zinc/13/37/65/324133765.db2.gz DVBUBIOUXPAHMK-QFBILLFUSA-N 1 3 344.503 2.592 20 0 EFADHO Cc1cccc2cc(C(=O)N(CCN(C)C)CC[NH+](C)C)sc21 ZINC000580495624 324172449 /nfs/dbraw/zinc/17/24/49/324172449.db2.gz DMOSKEHPHBFLDM-UHFFFAOYSA-N 1 3 333.501 2.775 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000581072233 324299271 /nfs/dbraw/zinc/29/92/71/324299271.db2.gz WJSGTAWERVJNAT-IAGOWNOFSA-N 1 3 331.504 2.573 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1 ZINC000581126435 324310256 /nfs/dbraw/zinc/31/02/56/324310256.db2.gz LSBXJGLVCXIDML-HZPDHXFCSA-N 1 3 340.895 2.710 20 0 EFADHO C[C@@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000581437007 324377772 /nfs/dbraw/zinc/37/77/72/324377772.db2.gz UFEBRZKRLFERAK-YPMHNXCESA-N 1 3 340.265 2.589 20 0 EFADHO c1ccc(-c2noc(CCN3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000581479227 324387804 /nfs/dbraw/zinc/38/78/04/324387804.db2.gz LSPGIIBJFLDXHG-IRXDYDNUSA-N 1 3 326.444 2.743 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000581498509 324393865 /nfs/dbraw/zinc/39/38/65/324393865.db2.gz ARZYTIJSENQRPA-SZMVWBNQSA-N 1 3 348.510 2.888 20 0 EFADHO COc1cccc2c1CCC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000581586901 324411102 /nfs/dbraw/zinc/41/11/02/324411102.db2.gz KYJNFQLXHVZXOA-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000581724801 324446509 /nfs/dbraw/zinc/44/65/09/324446509.db2.gz YVQVUGZILWOULW-LJQANCHMSA-N 1 3 340.471 2.768 20 0 EFADHO CC(C)C1CCC(N2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000582419316 324590954 /nfs/dbraw/zinc/59/09/54/324590954.db2.gz WVLFMKKQFZZCQL-MRLCAUJQSA-N 1 3 338.540 2.654 20 0 EFADHO Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCC2=CC[NH2+]CC2)cc1 ZINC000582719585 324655588 /nfs/dbraw/zinc/65/55/88/324655588.db2.gz KKORILBDZDTOFD-RTBURBONSA-N 1 3 348.512 2.589 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)C1 ZINC000583801214 324874111 /nfs/dbraw/zinc/87/41/11/324874111.db2.gz GSVYPGZBOKRDKL-MJGOQNOKSA-N 1 3 344.503 2.594 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000155448260 472551395 /nfs/dbraw/zinc/55/13/95/472551395.db2.gz ZYKUZLKRFBLYCJ-OXQOHEQNSA-N 1 3 347.503 2.872 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)c1ccsc1 ZINC000101980836 472559340 /nfs/dbraw/zinc/55/93/40/472559340.db2.gz MMZFDAHQOPJMMT-MRXNPFEDSA-N 1 3 340.537 2.770 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccsc1 ZINC000101980836 472559345 /nfs/dbraw/zinc/55/93/45/472559345.db2.gz MMZFDAHQOPJMMT-MRXNPFEDSA-N 1 3 340.537 2.770 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000155641893 472587019 /nfs/dbraw/zinc/58/70/19/472587019.db2.gz FBVYOQFFZLFTEJ-CHWSQXEVSA-N 1 3 329.410 2.781 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111509873 473217030 /nfs/dbraw/zinc/21/70/30/473217030.db2.gz KROHKUYNEBYKOA-GOSISDBHSA-N 1 3 338.540 2.816 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111819128 473229012 /nfs/dbraw/zinc/22/90/12/473229012.db2.gz ULYBOLFAJBSGKF-SFHVURJKSA-N 1 3 338.540 2.816 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCCO2 ZINC000095968941 473234554 /nfs/dbraw/zinc/23/45/54/473234554.db2.gz FUZNUYUTHJJFRJ-MRXNPFEDSA-N 1 3 347.503 2.525 20 0 EFADHO COc1cc([C@H](C)[NH2+]C[C@@H]2CCN(C3CC3)C2)cc(OC)c1OC ZINC000124353561 473236524 /nfs/dbraw/zinc/23/65/24/473236524.db2.gz HGRAIUPETHGNRG-KBPBESRZSA-N 1 3 334.460 2.847 20 0 EFADHO CCN1CCN(CCC[NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000161638293 473249989 /nfs/dbraw/zinc/24/99/89/473249989.db2.gz RNCYSPRCAPIQEA-UHFFFAOYSA-N 1 3 331.504 2.517 20 0 EFADHO Cn1cccc1C[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000161699402 473254025 /nfs/dbraw/zinc/25/40/25/473254025.db2.gz SLZIYNQXZFADEN-UHFFFAOYSA-N 1 3 340.515 2.713 20 0 EFADHO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1cccc(OCCN(C)C)c1 ZINC000161748033 473259338 /nfs/dbraw/zinc/25/93/38/473259338.db2.gz RXRPPCAXJPNYCJ-INIZCTEOSA-N 1 3 348.487 2.963 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000184957623 473283833 /nfs/dbraw/zinc/28/38/33/473283833.db2.gz OZVRWTPIZGPKHW-SFHVURJKSA-N 1 3 329.488 2.526 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000184957623 473283837 /nfs/dbraw/zinc/28/38/37/473283837.db2.gz OZVRWTPIZGPKHW-SFHVURJKSA-N 1 3 329.488 2.526 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC)N(C)C ZINC000124671082 473284270 /nfs/dbraw/zinc/28/42/70/473284270.db2.gz MVBJZDQJEDPVIZ-MSOLQXFVSA-N 1 3 335.492 2.535 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746160 473295842 /nfs/dbraw/zinc/29/58/42/473295842.db2.gz HYLDUZOCRWKHAR-WDYCEAGBSA-N 1 3 344.503 2.522 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)N(C)C)cc1 ZINC000124746160 473295846 /nfs/dbraw/zinc/29/58/46/473295846.db2.gz HYLDUZOCRWKHAR-WDYCEAGBSA-N 1 3 344.503 2.522 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067711 473298395 /nfs/dbraw/zinc/29/83/95/473298395.db2.gz ISDJFVFSJLOKGR-QRQLOZEOSA-N 1 3 341.499 2.640 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000190503913 473298423 /nfs/dbraw/zinc/29/84/23/473298423.db2.gz SUYZPLMMYQVVBB-MBOZVWFJSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000177067711 473298404 /nfs/dbraw/zinc/29/84/04/473298404.db2.gz ISDJFVFSJLOKGR-QRQLOZEOSA-N 1 3 341.499 2.640 20 0 EFADHO Cc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000124901407 473322647 /nfs/dbraw/zinc/32/26/47/473322647.db2.gz OBZRKTNVRFXBJS-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243910 473340568 /nfs/dbraw/zinc/34/05/68/473340568.db2.gz XMPHKPYPRSYTOA-HNNXBMFYSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1ccc(C(=O)NC2CC[NH+](CC[C@@H]3CCCN3C)CC2)s1 ZINC000125053608 473348579 /nfs/dbraw/zinc/34/85/79/473348579.db2.gz SXFPXQQKPPUEEF-INIZCTEOSA-N 1 3 335.517 2.735 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125063776 473350744 /nfs/dbraw/zinc/35/07/44/473350744.db2.gz VCHKRNGFDVYTLX-LJQANCHMSA-N 1 3 330.520 2.505 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125063776 473350751 /nfs/dbraw/zinc/35/07/51/473350751.db2.gz VCHKRNGFDVYTLX-LJQANCHMSA-N 1 3 330.520 2.505 20 0 EFADHO CC1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)OCCCO1 ZINC000190658589 473351572 /nfs/dbraw/zinc/35/15/72/473351572.db2.gz GBQAEERZWLMFES-CEXWTWQISA-N 1 3 330.472 2.640 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000125091764 473354472 /nfs/dbraw/zinc/35/44/72/473354472.db2.gz WBBMHNRQODQBGL-GOSISDBHSA-N 1 3 333.451 2.961 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185197906 473359678 /nfs/dbraw/zinc/35/96/78/473359678.db2.gz WJMNAAKEFNKXAS-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO CN(CCCOc1ccc(F)cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177379324 473367167 /nfs/dbraw/zinc/36/71/67/473367167.db2.gz IXFOJJMIKBLOFC-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO CN(CCCOc1ccc(F)cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177379324 473367171 /nfs/dbraw/zinc/36/71/71/473367171.db2.gz IXFOJJMIKBLOFC-UHFFFAOYSA-N 1 3 337.483 2.552 20 0 EFADHO COc1ccc(Cl)cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177385831 473369221 /nfs/dbraw/zinc/36/92/21/473369221.db2.gz DRFSULBAFNBUDA-UHFFFAOYSA-N 1 3 339.911 2.806 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)[C@H](C)C1 ZINC000162740785 473378403 /nfs/dbraw/zinc/37/84/03/473378403.db2.gz MIXZRHFYDUYHMR-BEFAXECRSA-N 1 3 348.535 2.823 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(CCN(C)C)CC1 ZINC000150958249 473385936 /nfs/dbraw/zinc/38/59/36/473385936.db2.gz MQWHHMIZIQUSHA-LJQANCHMSA-N 1 3 331.504 2.824 20 0 EFADHO C[NH+](C)Cc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000113343253 473386340 /nfs/dbraw/zinc/38/63/40/473386340.db2.gz QYBBWDNSAYYWQQ-QGZVFWFLSA-N 1 3 333.476 2.847 20 0 EFADHO COc1cc(C)c([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000150953382 473386418 /nfs/dbraw/zinc/38/64/18/473386418.db2.gz SFQJWNRVSCIDGE-MRXNPFEDSA-N 1 3 349.519 2.689 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1)C[C@H](C)O ZINC000150973615 473388817 /nfs/dbraw/zinc/38/88/17/473388817.db2.gz XTDREGULKQNRHM-SJORKVTESA-N 1 3 333.520 2.714 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000150984291 473391833 /nfs/dbraw/zinc/39/18/33/473391833.db2.gz BWTNKJSMJNRWPI-KRWDZBQOSA-N 1 3 341.503 2.549 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC(C)(C)C ZINC000625325410 479867587 /nfs/dbraw/zinc/86/75/87/479867587.db2.gz IHRICERWCBVGJY-YRWFTTLQSA-N 1 3 345.531 2.895 20 0 EFADHO N[C@@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345720842 475394151 /nfs/dbraw/zinc/39/41/51/475394151.db2.gz VADDLBRYGBKCIX-INIZCTEOSA-N 1 3 339.430 2.661 20 0 EFADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)N1CCc2ccccc2C1 ZINC000358698671 475868430 /nfs/dbraw/zinc/86/84/30/475868430.db2.gz WSRMRWVCKPCEHU-YVWKXTFCSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000422799753 476781353 /nfs/dbraw/zinc/78/13/53/476781353.db2.gz YGYLNMASOIDHOZ-TVFCKZIOSA-N 1 3 325.541 2.775 20 0 EFADHO C[C@H](CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000422799542 476781701 /nfs/dbraw/zinc/78/17/01/476781701.db2.gz XFIZOGNCYRQCEG-BVPBIZIASA-N 1 3 338.879 2.854 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000399363777 476882504 /nfs/dbraw/zinc/88/25/04/476882504.db2.gz ILCLXUZHQDHGMD-WDSOQIARSA-N 1 3 331.504 2.777 20 0 EFADHO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1N ZINC000424335113 477374829 /nfs/dbraw/zinc/37/48/29/477374829.db2.gz OMSPZLPQGDPBIJ-NUEKZKHPSA-N 1 3 329.444 2.812 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCN(C)C2CC2)CC1 ZINC000371640113 477421994 /nfs/dbraw/zinc/42/19/94/477421994.db2.gz GELZXXGUHANEPR-MRXNPFEDSA-N 1 3 344.503 2.605 20 0 EFADHO [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000424079867 477285236 /nfs/dbraw/zinc/28/52/36/477285236.db2.gz SVIVQSRUGCADRA-LJQANCHMSA-N 1 3 335.451 2.813 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000421382534 478065595 /nfs/dbraw/zinc/06/55/95/478065595.db2.gz XXYPMRIAPJENGM-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000421382534 478065602 /nfs/dbraw/zinc/06/56/02/478065602.db2.gz XXYPMRIAPJENGM-UHFFFAOYSA-N 1 3 341.503 2.555 20 0 EFADHO CCCN1CC[C@@H](NC(=O)c2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000619892580 479906501 /nfs/dbraw/zinc/90/65/01/479906501.db2.gz BIWRKTMKAQXHGF-GOSISDBHSA-N 1 3 347.503 2.621 20 0 EFADHO CCCN1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000619894051 479908622 /nfs/dbraw/zinc/90/86/22/479908622.db2.gz AXJACCOPXNXIIL-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3C[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000616723654 479959866 /nfs/dbraw/zinc/95/98/66/479959866.db2.gz OZBURTUAJZNXPU-HKUYNNGSSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000067574415 472052494 /nfs/dbraw/zinc/05/24/94/472052494.db2.gz MCHFTDZXZMVXQH-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)N(C)CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000067574415 472052499 /nfs/dbraw/zinc/05/24/99/472052499.db2.gz MCHFTDZXZMVXQH-KRWDZBQOSA-N 1 3 331.504 2.875 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682404 472070597 /nfs/dbraw/zinc/07/05/97/472070597.db2.gz PLFHIRMJFZAOSS-MJGOQNOKSA-N 1 3 346.519 2.627 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC000067682404 472070603 /nfs/dbraw/zinc/07/06/03/472070603.db2.gz PLFHIRMJFZAOSS-MJGOQNOKSA-N 1 3 346.519 2.627 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000067705965 472075637 /nfs/dbraw/zinc/07/56/37/472075637.db2.gz GWMBNPJICHQYSS-QGZVFWFLSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C)CC1 ZINC000025546187 472102408 /nfs/dbraw/zinc/10/24/08/472102408.db2.gz XVHNCJLIXYCTDK-SFHVURJKSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH+]1CCC(NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)CC1 ZINC000054718241 472111023 /nfs/dbraw/zinc/11/10/23/472111023.db2.gz KBAACEIMDXHACW-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000042341519 472130419 /nfs/dbraw/zinc/13/04/19/472130419.db2.gz HJPVXHCBLSYPOA-SWLSCSKDSA-N 1 3 327.266 2.556 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000068366549 472176480 /nfs/dbraw/zinc/17/64/80/472176480.db2.gz YFEXHKVDHOOLPB-HXUWFJFHSA-N 1 3 337.467 2.753 20 0 EFADHO CC1(C)CC(NC(=O)N2CCN(C3CCCC3)CC2)CC(C)(C)[NH2+]1 ZINC000042908346 472179931 /nfs/dbraw/zinc/17/99/31/472179931.db2.gz WPAXKLCYWAYAIL-UHFFFAOYSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)N(C)Cc1ccccc1 ZINC000085361103 472238573 /nfs/dbraw/zinc/23/85/73/472238573.db2.gz NEROENUNVMBVAW-SJORKVTESA-N 1 3 348.535 2.782 20 0 EFADHO C[C@@H](NC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000085361105 472238594 /nfs/dbraw/zinc/23/85/94/472238594.db2.gz NEROENUNVMBVAW-DLBZAZTESA-N 1 3 348.535 2.782 20 0 EFADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000085406782 472243632 /nfs/dbraw/zinc/24/36/32/472243632.db2.gz WLMPHAVYSRKPBX-MSOLQXFVSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)[C@H](C)C2)CC1 ZINC000076111018 472275359 /nfs/dbraw/zinc/27/53/59/472275359.db2.gz UPEVEQOTLLTGIS-HDICACEKSA-N 1 3 343.515 2.663 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000076204886 472298720 /nfs/dbraw/zinc/29/87/20/472298720.db2.gz YFGDIHLJIKCBOC-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CC[C@H](N2CCCCC2)C1 ZINC000076204886 472298727 /nfs/dbraw/zinc/29/87/27/472298727.db2.gz YFGDIHLJIKCBOC-MOPGFXCFSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(CC[NH+](C)C)CC2)c1 ZINC000056523205 472331903 /nfs/dbraw/zinc/33/19/03/472331903.db2.gz IQZDZXADRVUIFO-IBGZPJMESA-N 1 3 334.504 2.707 20 0 EFADHO C[C@@H](C1CC1)N(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076553172 472366718 /nfs/dbraw/zinc/36/67/18/472366718.db2.gz BMTZPYUKNHUKNJ-INIZCTEOSA-N 1 3 329.488 2.629 20 0 EFADHO O=C(NCCN1CCCCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000045191454 472381173 /nfs/dbraw/zinc/38/11/73/472381173.db2.gz DZGFMRUTUNFBHR-UHFFFAOYSA-N 1 3 344.503 2.568 20 0 EFADHO CC(C)N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076674841 472384177 /nfs/dbraw/zinc/38/41/77/472384177.db2.gz CWHOUFUKXLGPRA-UHFFFAOYSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000116415854 472404178 /nfs/dbraw/zinc/40/41/78/472404178.db2.gz GAXOSCMOJBUEBW-SFHVURJKSA-N 1 3 348.535 2.914 20 0 EFADHO CN(C)[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC000116440584 472409668 /nfs/dbraw/zinc/40/96/68/472409668.db2.gz KSIIUTAEAMFFRF-ROUUACIJSA-N 1 3 348.535 2.955 20 0 EFADHO CN1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000154336889 472419515 /nfs/dbraw/zinc/41/95/15/472419515.db2.gz AQRAPKOONDIXMC-QGZVFWFLSA-N 1 3 337.508 2.980 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(C)CC1)CCCO2 ZINC000154345680 472421000 /nfs/dbraw/zinc/42/10/00/472421000.db2.gz OPCNMIBVTHPLME-IBGZPJMESA-N 1 3 347.503 2.526 20 0 EFADHO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCCN1CCN(C)CC1 ZINC000154359635 472422256 /nfs/dbraw/zinc/42/22/56/472422256.db2.gz YSEHSDUSEAEEQJ-IBGZPJMESA-N 1 3 331.504 2.826 20 0 EFADHO C[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N1[C@@H](C)CC[C@@H]1C ZINC000089461073 472443570 /nfs/dbraw/zinc/44/35/70/472443570.db2.gz PPENAOWOZDUXGL-ULQDDVLXSA-N 1 3 344.503 2.676 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000089512877 472452283 /nfs/dbraw/zinc/45/22/83/472452283.db2.gz PBIZVHLEOYYLFG-UHFFFAOYSA-N 1 3 330.520 2.899 20 0 EFADHO CN1CCC[N@H+](CCCNCc2sccc2Br)CC1 ZINC000097142153 472461552 /nfs/dbraw/zinc/46/15/52/472461552.db2.gz ILAUOZKGFARGGD-UHFFFAOYSA-N 1 3 346.338 2.628 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2sccc2Br)CC1 ZINC000097142153 472461559 /nfs/dbraw/zinc/46/15/59/472461559.db2.gz ILAUOZKGFARGGD-UHFFFAOYSA-N 1 3 346.338 2.628 20 0 EFADHO COc1cccc([C@H](C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831731 472477547 /nfs/dbraw/zinc/47/75/47/472477547.db2.gz QIXPNYOUCPAOJA-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831731 472477554 /nfs/dbraw/zinc/47/75/54/472477554.db2.gz QIXPNYOUCPAOJA-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)c1 ZINC000154831731 472477564 /nfs/dbraw/zinc/47/75/64/472477564.db2.gz QIXPNYOUCPAOJA-HQRMLTQVSA-N 1 3 331.504 2.904 20 0 EFADHO C[NH+](C)CCCCC(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000069978974 472480691 /nfs/dbraw/zinc/48/06/91/472480691.db2.gz VZQKAHZFRAYUOF-UHFFFAOYSA-N 1 3 341.565 2.586 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)[NH+]1CCCC1 ZINC000058061006 472502490 /nfs/dbraw/zinc/50/24/90/472502490.db2.gz BXEAVWZQUGQHAR-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000129043902 472518146 /nfs/dbraw/zinc/51/81/46/472518146.db2.gz BGDFWDSLLUIAPY-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000129043902 472518156 /nfs/dbraw/zinc/51/81/56/472518156.db2.gz BGDFWDSLLUIAPY-ZHALLVOQSA-N 1 3 348.535 2.519 20 0 EFADHO C[NH+](C)Cc1cccc(NC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000129323058 472536210 /nfs/dbraw/zinc/53/62/10/472536210.db2.gz JNKPYHVORFCFSD-UHFFFAOYSA-N 1 3 345.487 2.722 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000155574379 472572567 /nfs/dbraw/zinc/57/25/67/472572567.db2.gz RZPAFYXDDJZYNA-APWZRJJASA-N 1 3 347.503 2.525 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000155574034 472572802 /nfs/dbraw/zinc/57/28/02/472572802.db2.gz RZPAFYXDDJZYNA-QFBILLFUSA-N 1 3 347.503 2.525 20 0 EFADHO NC(=O)c1ccc(C[NH2+]CC2CCN(Cc3cccs3)CC2)cc1 ZINC000071845390 472581317 /nfs/dbraw/zinc/58/13/17/472581317.db2.gz YNKILGAHBLVROG-UHFFFAOYSA-N 1 3 343.496 2.849 20 0 EFADHO C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(F)c1 ZINC000090038843 472584599 /nfs/dbraw/zinc/58/45/99/472584599.db2.gz LPKVMCBCBCHIMO-HNNXBMFYSA-N 1 3 343.446 2.968 20 0 EFADHO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000090038706 472585026 /nfs/dbraw/zinc/58/50/26/472585026.db2.gz KZILBSVDYLJFER-HNNXBMFYSA-N 1 3 345.512 2.760 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000155702669 472599063 /nfs/dbraw/zinc/59/90/63/472599063.db2.gz HPGVSAGXKLIMQR-GJZGRUSLSA-N 1 3 332.517 2.973 20 0 EFADHO Cc1ccc([C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C2CC2)cc1 ZINC000077758387 472604731 /nfs/dbraw/zinc/60/47/31/472604731.db2.gz QLNNXDYXFSCHEF-IBGZPJMESA-N 1 3 346.519 2.581 20 0 EFADHO Cc1cc([C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C)c(C)s1 ZINC000077774801 472608490 /nfs/dbraw/zinc/60/84/90/472608490.db2.gz AYIVYCVYPCSXCP-CQSZACIVSA-N 1 3 340.537 2.561 20 0 EFADHO CC[C@@H](N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000130500089 472610110 /nfs/dbraw/zinc/61/01/10/472610110.db2.gz VVCAJOZQVCCVKU-LJQANCHMSA-N 1 3 331.504 2.575 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC000155792845 472617539 /nfs/dbraw/zinc/61/75/39/472617539.db2.gz YDJOOYLUUWEAEY-IRXDYDNUSA-N 1 3 331.504 2.846 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000077803747 472619534 /nfs/dbraw/zinc/61/95/34/472619534.db2.gz PYRJWZPYVUDDPP-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H](CNC(=O)NCc1cccc(CN(C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000077803747 472619541 /nfs/dbraw/zinc/61/95/41/472619541.db2.gz PYRJWZPYVUDDPP-IRXDYDNUSA-N 1 3 346.519 2.668 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCCCC1)CC(C)C ZINC000071925363 472623817 /nfs/dbraw/zinc/62/38/17/472623817.db2.gz WTJHJOGXTMAEOW-KRWDZBQOSA-N 1 3 326.529 2.528 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000103311202 472625753 /nfs/dbraw/zinc/62/57/53/472625753.db2.gz RZSXKDABZWCIHX-LJQANCHMSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)c2cccc(CN(C)C)c2)([NH+](C)C)C1 ZINC000155900018 472635725 /nfs/dbraw/zinc/63/57/25/472635725.db2.gz DFRWZNDWNLHJCV-UZLBHIALSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)(C)OC(=O)NC[C@@](C)(NCCC[NH+]1CCCC1)C1CC1 ZINC000120140355 472637920 /nfs/dbraw/zinc/63/79/20/472637920.db2.gz DVFWQZXDXMEJBA-GOSISDBHSA-N 1 3 325.497 2.755 20 0 EFADHO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155930928 472641955 /nfs/dbraw/zinc/64/19/55/472641955.db2.gz SAAGDXODLJHAQM-IXDOHACOSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000155930928 472641961 /nfs/dbraw/zinc/64/19/61/472641961.db2.gz SAAGDXODLJHAQM-IXDOHACOSA-N 1 3 331.504 2.844 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]C[C@@H](C)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000155957941 472645640 /nfs/dbraw/zinc/64/56/40/472645640.db2.gz QPHYMPIAJMBMFT-MTQWCTHYSA-N 1 3 339.568 2.833 20 0 EFADHO COc1ccc([C@@H](C)NCc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000090937409 472665645 /nfs/dbraw/zinc/66/56/45/472665645.db2.gz GRPOGNYEILTKLK-OAHLLOKOSA-N 1 3 329.444 2.881 20 0 EFADHO Cc1ccc2ncc(C[NH2+]CCCCN3C[C@@H](C)O[C@H](C)C3)n2c1 ZINC000156224764 472678959 /nfs/dbraw/zinc/67/89/59/472678959.db2.gz UFBJOYHVCXWPOI-IAGOWNOFSA-N 1 3 330.476 2.622 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120406192 472682688 /nfs/dbraw/zinc/68/26/88/472682688.db2.gz HVOAYCVDEWYSAZ-IBGZPJMESA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN(CC[C@H]2CCOC2=O)CC1 ZINC000120406192 472682691 /nfs/dbraw/zinc/68/26/91/472682691.db2.gz HVOAYCVDEWYSAZ-IBGZPJMESA-N 1 3 330.472 2.784 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000156398676 472701439 /nfs/dbraw/zinc/70/14/39/472701439.db2.gz UHTOEBKYEGNJPO-KGLIPLIRSA-N 1 3 329.444 2.694 20 0 EFADHO CC[C@H](Cc1ccccc1)N(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000120538597 472706830 /nfs/dbraw/zinc/70/68/30/472706830.db2.gz VFELMOXJDCXSDA-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000105083427 472719404 /nfs/dbraw/zinc/71/94/04/472719404.db2.gz AZIXIDQQZZBNQR-MOPGFXCFSA-N 1 3 346.519 2.805 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000105083425 472720466 /nfs/dbraw/zinc/72/04/66/472720466.db2.gz AZIXIDQQZZBNQR-RBUKOAKNSA-N 1 3 346.519 2.805 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000105198470 472731971 /nfs/dbraw/zinc/73/19/71/472731971.db2.gz PMNAZMNTZIWWBP-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCC(C)CC2)C1 ZINC000105198470 472731979 /nfs/dbraw/zinc/73/19/79/472731979.db2.gz PMNAZMNTZIWWBP-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H]1CCc2c1cccc2Br ZINC000091284912 472751256 /nfs/dbraw/zinc/75/12/56/472751256.db2.gz GAXKYXGSMNYNJN-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H]1CCc2c1cccc2Br ZINC000091284912 472751263 /nfs/dbraw/zinc/75/12/63/472751263.db2.gz GAXKYXGSMNYNJN-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO COc1ccccc1[C@H]([NH2+]C[C@@H](O)CN1CCCC1)C1CCCC1 ZINC000091306268 472753585 /nfs/dbraw/zinc/75/35/85/472753585.db2.gz ZJHXOJRYNCNAOC-YLJYHZDGSA-N 1 3 332.488 2.973 20 0 EFADHO CN1CCC[N@H+](CCCNCc2ccccc2OC(F)(F)F)CC1 ZINC000105476717 472753959 /nfs/dbraw/zinc/75/39/59/472753959.db2.gz ODRRBJRGIKGNFT-UHFFFAOYSA-N 1 3 345.409 2.702 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2ccccc2OC(F)(F)F)CC1 ZINC000105476717 472753965 /nfs/dbraw/zinc/75/39/65/472753965.db2.gz ODRRBJRGIKGNFT-UHFFFAOYSA-N 1 3 345.409 2.702 20 0 EFADHO Cc1ccc([C@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000091333550 472756899 /nfs/dbraw/zinc/75/68/99/472756899.db2.gz GYNLZZCBFSEXAP-OALUTQOASA-N 1 3 329.488 2.623 20 0 EFADHO Cc1ccc([C@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000091333550 472756906 /nfs/dbraw/zinc/75/69/06/472756906.db2.gz GYNLZZCBFSEXAP-OALUTQOASA-N 1 3 329.488 2.623 20 0 EFADHO Cc1ccc([C@@H](NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000091333551 472757068 /nfs/dbraw/zinc/75/70/68/472757068.db2.gz GYNLZZCBFSEXAP-RBUKOAKNSA-N 1 3 329.488 2.623 20 0 EFADHO Cc1ccc([C@@H](NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CC2)cc1 ZINC000091333551 472757072 /nfs/dbraw/zinc/75/70/72/472757072.db2.gz GYNLZZCBFSEXAP-RBUKOAKNSA-N 1 3 329.488 2.623 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804632 472772073 /nfs/dbraw/zinc/77/20/73/472772073.db2.gz FVINDBDZCACUFR-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000078804632 472772080 /nfs/dbraw/zinc/77/20/80/472772080.db2.gz FVINDBDZCACUFR-IBGZPJMESA-N 1 3 334.504 2.848 20 0 EFADHO COc1cc(OC)c(CCN[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105481 472786706 /nfs/dbraw/zinc/78/67/06/472786706.db2.gz GFNCJDHMTANKDP-KEYYUXOJSA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105481 472786714 /nfs/dbraw/zinc/78/67/14/472786714.db2.gz GFNCJDHMTANKDP-KEYYUXOJSA-N 1 3 336.476 2.573 20 0 EFADHO CCN1CCC(NC(=O)NCc2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000047979051 472792660 /nfs/dbraw/zinc/79/26/60/472792660.db2.gz BUNKWXMIAMRLFC-UHFFFAOYSA-N 1 3 346.519 2.812 20 0 EFADHO CCc1nn(C)cc1CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000091742064 472802346 /nfs/dbraw/zinc/80/23/46/472802346.db2.gz JVFFKJCRJDEXAJ-HNNXBMFYSA-N 1 3 330.476 2.774 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000121227635 472820550 /nfs/dbraw/zinc/82/05/50/472820550.db2.gz YPPTXQZBEFRBQH-MSOLQXFVSA-N 1 3 333.520 2.928 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000073534192 472825725 /nfs/dbraw/zinc/82/57/25/472825725.db2.gz BEILYSUDDDJUSA-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000073534192 472825729 /nfs/dbraw/zinc/82/57/29/472825729.db2.gz BEILYSUDDDJUSA-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121290852 472830186 /nfs/dbraw/zinc/83/01/86/472830186.db2.gz YJBZRKFCCYXNHH-FHWLQOOXSA-N 1 3 330.472 2.674 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000079293515 472843789 /nfs/dbraw/zinc/84/37/89/472843789.db2.gz TZKOSYXJPFVZHN-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516263 472857848 /nfs/dbraw/zinc/85/78/48/472857848.db2.gz TYDMZSFUPNYUOJ-IEBWSBKVSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106516263 472857856 /nfs/dbraw/zinc/85/78/56/472857856.db2.gz TYDMZSFUPNYUOJ-IEBWSBKVSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522597 472858871 /nfs/dbraw/zinc/85/88/71/472858871.db2.gz KXURBQIMZUJPLX-IEBWSBKVSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522597 472858878 /nfs/dbraw/zinc/85/88/78/472858878.db2.gz KXURBQIMZUJPLX-IEBWSBKVSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522596 472859078 /nfs/dbraw/zinc/85/90/78/472859078.db2.gz KXURBQIMZUJPLX-MJGOQNOKSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000106522596 472859081 /nfs/dbraw/zinc/85/90/81/472859081.db2.gz KXURBQIMZUJPLX-MJGOQNOKSA-N 1 3 344.503 2.605 20 0 EFADHO COC(=O)c1cccc(OCCN2CCC(CC[NH+](C)C)CC2)c1 ZINC000064515272 472860064 /nfs/dbraw/zinc/86/00/64/472860064.db2.gz OIQAUFIHFWSOCS-UHFFFAOYSA-N 1 3 334.460 2.516 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000073881759 472893862 /nfs/dbraw/zinc/89/38/62/472893862.db2.gz JPINAYHAWQZMAL-HKUYNNGSSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158117026 472893998 /nfs/dbraw/zinc/89/39/98/472893998.db2.gz COXZJSYWKYKLLJ-LSDHHAIUSA-N 1 3 330.476 2.963 20 0 EFADHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000158117026 472894003 /nfs/dbraw/zinc/89/40/03/472894003.db2.gz COXZJSYWKYKLLJ-LSDHHAIUSA-N 1 3 330.476 2.963 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)[NH+]1CCC(C)CC1 ZINC000121739831 472902871 /nfs/dbraw/zinc/90/28/71/472902871.db2.gz NQQQAIBZXRNZBI-KRWDZBQOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)NCc1cccc(CN(C)C)c1)C[NH+]1CCCCC1 ZINC000079689249 472908180 /nfs/dbraw/zinc/90/81/80/472908180.db2.gz UKHRFMUZCPGCKL-QGZVFWFLSA-N 1 3 346.519 2.669 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000158260128 472915646 /nfs/dbraw/zinc/91/56/46/472915646.db2.gz QBBAAKJFKFOYFE-MOPGFXCFSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000158260128 472915651 /nfs/dbraw/zinc/91/56/51/472915651.db2.gz QBBAAKJFKFOYFE-MOPGFXCFSA-N 1 3 329.488 2.670 20 0 EFADHO NC(=O)c1cccc(CN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121794420 472915947 /nfs/dbraw/zinc/91/59/47/472915947.db2.gz AEAAHUVENOQXNG-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc(OCCN(C)C)cc1 ZINC000158289397 472918927 /nfs/dbraw/zinc/91/89/27/472918927.db2.gz RLBXCCFEWLKJKT-YLJYHZDGSA-N 1 3 342.483 2.881 20 0 EFADHO CC[C@]1(C(=O)Nc2ccc(OCCN(C)C)c(Cl)c2)CCC[NH2+]1 ZINC000134579540 472931860 /nfs/dbraw/zinc/93/18/60/472931860.db2.gz UXGHXZHSDXJZDZ-QGZVFWFLSA-N 1 3 339.867 2.751 20 0 EFADHO CC[C@]1(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CCC[NH2+]1 ZINC000134581981 472932355 /nfs/dbraw/zinc/93/23/55/472932355.db2.gz DEHHECSKVHSSLA-MAUKXSAKSA-N 1 3 335.517 2.609 20 0 EFADHO C[C@@H](CNC(=O)NCCCN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000079912614 472940753 /nfs/dbraw/zinc/94/07/53/472940753.db2.gz NUBVDBDRXHHUAP-SFHVURJKSA-N 1 3 346.519 2.540 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC000107354181 472946986 /nfs/dbraw/zinc/94/69/86/472946986.db2.gz ZOTGOFGCONXBDA-LJQANCHMSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC000107354178 472947662 /nfs/dbraw/zinc/94/76/62/472947662.db2.gz ZOTGOFGCONXBDA-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000121981431 472958606 /nfs/dbraw/zinc/95/86/06/472958606.db2.gz FSAYZHQFONIJNE-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCN(C2CC2)CC1 ZINC000121981431 472958614 /nfs/dbraw/zinc/95/86/14/472958614.db2.gz FSAYZHQFONIJNE-MRXNPFEDSA-N 1 3 336.524 2.567 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCCC2)cc1 ZINC000092739871 472976773 /nfs/dbraw/zinc/97/67/73/472976773.db2.gz KCNNNBMPTWMFRG-SJORKVTESA-N 1 3 331.504 2.748 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000122208043 472987029 /nfs/dbraw/zinc/98/70/29/472987029.db2.gz RIYPFVXCBLKZRA-UHFFFAOYSA-N 1 3 344.503 2.905 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000122208043 472987037 /nfs/dbraw/zinc/98/70/37/472987037.db2.gz RIYPFVXCBLKZRA-UHFFFAOYSA-N 1 3 344.503 2.905 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074319604 472988010 /nfs/dbraw/zinc/98/80/10/472988010.db2.gz SMQDEFFEPWQPNT-SFHVURJKSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000074319604 472988014 /nfs/dbraw/zinc/98/80/14/472988014.db2.gz SMQDEFFEPWQPNT-SFHVURJKSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000074323483 472988426 /nfs/dbraw/zinc/98/84/26/472988426.db2.gz QQZXXMGJASPQDV-GOSISDBHSA-N 1 3 329.488 2.552 20 0 EFADHO CN(C)Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074323483 472988430 /nfs/dbraw/zinc/98/84/30/472988430.db2.gz QQZXXMGJASPQDV-GOSISDBHSA-N 1 3 329.488 2.552 20 0 EFADHO CC(C)[C@@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821323 472991107 /nfs/dbraw/zinc/99/11/07/472991107.db2.gz AGHUBWXTSDCMOS-QGZVFWFLSA-N 1 3 346.519 2.781 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NCc2ccc(CN(C)C)cc2)CC1 ZINC000074344697 472992431 /nfs/dbraw/zinc/99/24/31/472992431.db2.gz UCIVGGSEVDTOAS-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000074345891 472993526 /nfs/dbraw/zinc/99/35/26/472993526.db2.gz ZQHHUSLXYNJMOC-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCCC[C@@H]2CC)C1 ZINC000074345891 472993532 /nfs/dbraw/zinc/99/35/32/472993532.db2.gz ZQHHUSLXYNJMOC-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@H+](CCO)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000159098168 472998244 /nfs/dbraw/zinc/99/82/44/472998244.db2.gz QVXMLXZPVIZNSP-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO CCCC[N@@H+](CCO)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000159098168 472998250 /nfs/dbraw/zinc/99/82/50/472998250.db2.gz QVXMLXZPVIZNSP-UHFFFAOYSA-N 1 3 333.520 2.811 20 0 EFADHO CN(C(=O)CCCC[NH+](C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074446957 473009656 /nfs/dbraw/zinc/00/96/56/473009656.db2.gz KEJVHVJAQCMLFU-LJQANCHMSA-N 1 3 331.504 2.841 20 0 EFADHO CC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050799487 473011110 /nfs/dbraw/zinc/01/11/10/473011110.db2.gz VKVQIPITFRSZEB-FQEVSTJZSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)CCN(C(=O)NCc1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC000159325667 473019727 /nfs/dbraw/zinc/01/97/27/473019727.db2.gz PPJZYNSDZCVNFD-UHFFFAOYSA-N 1 3 346.519 2.764 20 0 EFADHO CN(C(=O)CC[N@@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000135101699 473022198 /nfs/dbraw/zinc/02/21/98/473022198.db2.gz BSMGRJHYQOHAOD-GOSISDBHSA-N 1 3 329.488 2.847 20 0 EFADHO CN(C(=O)CC[N@H+]1CC[C@H](CN2CCCCC2)C1)c1ccccc1 ZINC000135101699 473022203 /nfs/dbraw/zinc/02/22/03/473022203.db2.gz BSMGRJHYQOHAOD-GOSISDBHSA-N 1 3 329.488 2.847 20 0 EFADHO CN(CCC1CC1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000135285675 473050585 /nfs/dbraw/zinc/05/05/85/473050585.db2.gz VHLRWPBVOQIQPV-UHFFFAOYSA-N 1 3 329.488 2.631 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066173627 473053311 /nfs/dbraw/zinc/05/33/11/473053311.db2.gz OPQFNONHHQLRGS-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000066173627 473053315 /nfs/dbraw/zinc/05/33/15/473053315.db2.gz OPQFNONHHQLRGS-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)C[C@@H](C)N(C)C(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000123224042 473113691 /nfs/dbraw/zinc/11/36/91/473113691.db2.gz GFHLFTRISQDLLB-QGZVFWFLSA-N 1 3 325.541 2.933 20 0 EFADHO CCn1nc(C)c(CN2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000093735008 473136706 /nfs/dbraw/zinc/13/67/06/473136706.db2.gz NOOUXLKORQYDLL-UHFFFAOYSA-N 1 3 334.508 2.597 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000123461081 473143372 /nfs/dbraw/zinc/14/33/72/473143372.db2.gz SHJTYWYMIHMADM-FGTMMUONSA-N 1 3 337.552 2.933 20 0 EFADHO CN(c1ccccc1C[N@@H+]1CC[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000093820427 473150741 /nfs/dbraw/zinc/15/07/41/473150741.db2.gz BTQBWVLVQPSHIA-NRFANRHFSA-N 1 3 343.515 2.829 20 0 EFADHO CN(c1ccccc1C[N@H+]1CC[C@]2(CCOC2)C1)C1CCN(C)CC1 ZINC000093820427 473150746 /nfs/dbraw/zinc/15/07/46/473150746.db2.gz BTQBWVLVQPSHIA-NRFANRHFSA-N 1 3 343.515 2.829 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2cn(C)nc2C(C)(C)C)C[C@H](C)O1 ZINC000093962044 473165727 /nfs/dbraw/zinc/16/57/27/473165727.db2.gz JYXLFFZIPZXCRZ-HOTGVXAUSA-N 1 3 336.524 2.697 20 0 EFADHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000113514387 473398471 /nfs/dbraw/zinc/39/84/71/473398471.db2.gz IKDMSCNXUVTUJO-SJLPKXTDSA-N 1 3 334.504 2.607 20 0 EFADHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000113514387 473398474 /nfs/dbraw/zinc/39/84/74/473398474.db2.gz IKDMSCNXUVTUJO-SJLPKXTDSA-N 1 3 334.504 2.607 20 0 EFADHO CN(c1ccccc1CNCCC[NH+]1CCCC1)C1CCN(C)CC1 ZINC000177559235 473398649 /nfs/dbraw/zinc/39/86/49/473398649.db2.gz IQGYGJDCMZATOY-UHFFFAOYSA-N 1 3 344.547 2.793 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)CCN1CCCC1)c1ccccc1 ZINC000113625111 473410331 /nfs/dbraw/zinc/41/03/31/473410331.db2.gz QIKILKDQHRFTPC-KRWDZBQOSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(C)c1ccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000190893466 473420887 /nfs/dbraw/zinc/42/08/87/473420887.db2.gz OPDOYVNYNRKTAX-IAGOWNOFSA-N 1 3 334.508 2.517 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000125578197 473430489 /nfs/dbraw/zinc/43/04/89/473430489.db2.gz IHVYUMVJAJPZPX-KRWDZBQOSA-N 1 3 342.487 2.656 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000125578197 473430493 /nfs/dbraw/zinc/43/04/93/473430493.db2.gz IHVYUMVJAJPZPX-KRWDZBQOSA-N 1 3 342.487 2.656 20 0 EFADHO Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000177852511 473442725 /nfs/dbraw/zinc/44/27/25/473442725.db2.gz BCHYJDDUWIDGTG-HNNXBMFYSA-N 1 3 330.476 2.942 20 0 EFADHO CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1ccc(OC)c(OC)c1 ZINC000151365708 473449779 /nfs/dbraw/zinc/44/97/79/473449779.db2.gz YQGMFXGTHKYIII-QGZVFWFLSA-N 1 3 336.476 2.591 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)c2cccs2)CC1 ZINC000163575492 473455919 /nfs/dbraw/zinc/45/59/19/473455919.db2.gz ARJXIPNRLYAVBN-YJBOKZPZSA-N 1 3 335.517 2.637 20 0 EFADHO CC1CCN([C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000163578768 473456587 /nfs/dbraw/zinc/45/65/87/473456587.db2.gz YODLQGYWVVJTJB-JKSUJKDBSA-N 1 3 335.517 2.779 20 0 EFADHO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000191091904 473475780 /nfs/dbraw/zinc/47/57/80/473475780.db2.gz MWYNADZEPUWUOE-IRXDYDNUSA-N 1 3 344.565 2.834 20 0 EFADHO CCS(=O)(=O)CCCCC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000191091918 473475832 /nfs/dbraw/zinc/47/58/32/473475832.db2.gz MWYNADZEPUWUOE-SJORKVTESA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H](CC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000165041552 473504869 /nfs/dbraw/zinc/50/48/69/473504869.db2.gz IECYJINARDNJEM-MISYRCLQSA-N 1 3 343.515 2.966 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000165034954 473505671 /nfs/dbraw/zinc/50/56/71/473505671.db2.gz HDODQJJVWILRST-MJGOQNOKSA-N 1 3 343.515 2.575 20 0 EFADHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccccc2N(C)C)[C@H](C)C1 ZINC000172038866 473507473 /nfs/dbraw/zinc/50/74/73/473507473.db2.gz DDFOFNLTDYHTLC-IEBWSBKVSA-N 1 3 333.520 2.979 20 0 EFADHO Cc1noc(C)c1CCN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000165361867 473510358 /nfs/dbraw/zinc/51/03/58/473510358.db2.gz UGLKXZXMOHBDFH-HUUCEWRRSA-N 1 3 335.492 2.655 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccccc1 ZINC000165981957 473518941 /nfs/dbraw/zinc/51/89/41/473518941.db2.gz HYXAAHVGLUUZOH-SXLOBPIMSA-N 1 3 333.520 2.768 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000165981828 473519220 /nfs/dbraw/zinc/51/92/20/473519220.db2.gz HYXAAHVGLUUZOH-RLLQIKCJSA-N 1 3 333.520 2.768 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000114959107 473526248 /nfs/dbraw/zinc/52/62/48/473526248.db2.gz DASGKSZMVMACHV-KRWDZBQOSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000114959107 473526252 /nfs/dbraw/zinc/52/62/52/473526252.db2.gz DASGKSZMVMACHV-KRWDZBQOSA-N 1 3 346.519 2.551 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000166508798 473528474 /nfs/dbraw/zinc/52/84/74/473528474.db2.gz YXIATXJCINNBNP-HKUYNNGSSA-N 1 3 329.488 2.549 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000166508798 473528477 /nfs/dbraw/zinc/52/84/77/473528477.db2.gz YXIATXJCINNBNP-HKUYNNGSSA-N 1 3 329.488 2.549 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000126628200 473531803 /nfs/dbraw/zinc/53/18/03/473531803.db2.gz KJHZROXYQJHZCW-QGZVFWFLSA-N 1 3 349.544 2.603 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168507356 473542462 /nfs/dbraw/zinc/54/24/62/473542462.db2.gz MHZPWBDHWBCVEH-NJAFHUGGSA-N 1 3 349.544 2.578 20 0 EFADHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168507356 473542464 /nfs/dbraw/zinc/54/24/64/473542464.db2.gz MHZPWBDHWBCVEH-NJAFHUGGSA-N 1 3 349.544 2.578 20 0 EFADHO C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(CCO)CC2)c2ccccc21 ZINC000168943656 473545071 /nfs/dbraw/zinc/54/50/71/473545071.db2.gz ZVWDJVUYHUZXTD-RXVVDRJESA-N 1 3 345.531 2.605 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)c1ccsc1 ZINC000178701101 473545401 /nfs/dbraw/zinc/54/54/01/473545401.db2.gz PJQUPIRPBDSMLE-QZTJIDSGSA-N 1 3 345.512 2.990 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@H](CN)c2ccccc2)c1 ZINC000178792692 473565269 /nfs/dbraw/zinc/56/52/69/473565269.db2.gz GFVOMJHIFDHTHG-LJQANCHMSA-N 1 3 341.455 2.698 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000178845409 473576627 /nfs/dbraw/zinc/57/66/27/473576627.db2.gz JRHBNYLUNJKCKA-QRQLOZEOSA-N 1 3 331.504 2.730 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000178845409 473576632 /nfs/dbraw/zinc/57/66/32/473576632.db2.gz JRHBNYLUNJKCKA-QRQLOZEOSA-N 1 3 331.504 2.730 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H]1CCN(C)C[C@H]1C)N1CCCC1 ZINC000153369843 473621668 /nfs/dbraw/zinc/62/16/68/473621668.db2.gz VHPJQIOBTGHOOT-NEWSRXKRSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C[C@H]1C)N1CCCC1 ZINC000153369843 473621672 /nfs/dbraw/zinc/62/16/72/473621672.db2.gz VHPJQIOBTGHOOT-NEWSRXKRSA-N 1 3 331.504 2.762 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)N1CCCC1 ZINC000153369843 473621678 /nfs/dbraw/zinc/62/16/78/473621678.db2.gz VHPJQIOBTGHOOT-NEWSRXKRSA-N 1 3 331.504 2.762 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000170900024 473642756 /nfs/dbraw/zinc/64/27/56/473642756.db2.gz RBAWVWQLZIACAC-LJQANCHMSA-N 1 3 329.488 2.773 20 0 EFADHO CC[C@H](C)[N@H+](C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000170915504 473644449 /nfs/dbraw/zinc/64/44/49/473644449.db2.gz QVPZAJQRYSPAEH-SFHVURJKSA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@H](C)[N@@H+](C)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000170915504 473644453 /nfs/dbraw/zinc/64/44/53/473644453.db2.gz QVPZAJQRYSPAEH-SFHVURJKSA-N 1 3 331.504 2.760 20 0 EFADHO COCc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000179225994 473658115 /nfs/dbraw/zinc/65/81/15/473658115.db2.gz ULSKYGRURMXADJ-UHFFFAOYSA-N 1 3 332.488 2.910 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001179 480053121 /nfs/dbraw/zinc/05/31/21/480053121.db2.gz JYFZZIFYOYNPFM-FUHWJXTLSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617001179 480053128 /nfs/dbraw/zinc/05/31/28/480053128.db2.gz JYFZZIFYOYNPFM-FUHWJXTLSA-N 1 3 331.504 2.916 20 0 EFADHO CCC[C@H](NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000127976065 473668860 /nfs/dbraw/zinc/66/88/60/473668860.db2.gz ABLSJYBTXFFUPZ-HKUYNNGSSA-N 1 3 347.503 2.713 20 0 EFADHO CCC[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC)cc1 ZINC000127976065 473668867 /nfs/dbraw/zinc/66/88/67/473668867.db2.gz ABLSJYBTXFFUPZ-HKUYNNGSSA-N 1 3 347.503 2.713 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccccc2)CC1 ZINC000172717255 473675021 /nfs/dbraw/zinc/67/50/21/473675021.db2.gz LZRWTSKEOGGYIZ-UHFFFAOYSA-N 1 3 331.504 2.697 20 0 EFADHO CCOC(=O)N1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000186464915 473677804 /nfs/dbraw/zinc/67/78/04/473677804.db2.gz WQVNTRUAAUVKBX-IBGZPJMESA-N 1 3 345.487 2.514 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCOC[C@@H]3C)CC2)c1 ZINC000192462916 473682378 /nfs/dbraw/zinc/68/23/78/473682378.db2.gz MLHZYNZABLRTKF-FPOVZHCZSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H](CC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000262651440 473706679 /nfs/dbraw/zinc/70/66/79/473706679.db2.gz AGZFVTCKJOCVCV-HKUYNNGSSA-N 1 3 343.515 2.577 20 0 EFADHO C[NH+]1CCC(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CC1 ZINC000269149458 473710449 /nfs/dbraw/zinc/71/04/49/473710449.db2.gz KYDOYMDAGQSRJO-UHFFFAOYSA-N 1 3 345.487 2.832 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000262690803 473710573 /nfs/dbraw/zinc/71/05/73/473710573.db2.gz ZHZRTSVCUROOAB-NEWSRXKRSA-N 1 3 331.504 2.740 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000287613283 473712805 /nfs/dbraw/zinc/71/28/05/473712805.db2.gz PEZFMEFCJSCCCX-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccco1)C1CCN(C)CC1)[NH+](CC)CC ZINC000274047384 473716017 /nfs/dbraw/zinc/71/60/17/473716017.db2.gz HSEAADQIAWCHJT-GOSISDBHSA-N 1 3 335.492 2.823 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)N(C)C ZINC000269178501 473719488 /nfs/dbraw/zinc/71/94/88/473719488.db2.gz JCHQLLVRYWCASU-FQEVSTJZSA-N 1 3 343.515 2.622 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)N(C)C ZINC000269178501 473719493 /nfs/dbraw/zinc/71/94/93/473719493.db2.gz JCHQLLVRYWCASU-FQEVSTJZSA-N 1 3 343.515 2.622 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000269195295 473727508 /nfs/dbraw/zinc/72/75/08/473727508.db2.gz PCZZYVURJNKYJW-RBUKOAKNSA-N 1 3 329.488 2.532 20 0 EFADHO CN(C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000245680269 473735784 /nfs/dbraw/zinc/73/57/84/473735784.db2.gz PALKZCIHORHANF-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@@H]1CCC[N@H+]1CC[C@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000245680269 473735802 /nfs/dbraw/zinc/73/58/02/473735802.db2.gz PALKZCIHORHANF-CVEARBPZSA-N 1 3 325.497 2.802 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccncc3)CC2)CCO1 ZINC000287695925 473736803 /nfs/dbraw/zinc/73/68/03/473736803.db2.gz NKICSUPPAAKOEV-GOEBONIOSA-N 1 3 343.393 2.998 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH3+])c2ccccc2)CN1Cc1ccccc1 ZINC000269240633 473745504 /nfs/dbraw/zinc/74/55/04/473745504.db2.gz AXYUJUXLXJBWKS-NSISKUIASA-N 1 3 337.467 2.508 20 0 EFADHO C[C@@H](C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000269244998 473747281 /nfs/dbraw/zinc/74/72/81/473747281.db2.gz ZHUIPSGHOULLFN-FUHIMQAGSA-N 1 3 343.515 2.525 20 0 EFADHO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000263282054 473747865 /nfs/dbraw/zinc/74/78/65/473747865.db2.gz SEQZSZXYAVNNMZ-HTBDUDNFSA-N 1 3 331.504 2.805 20 0 EFADHO C[C@@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000263282054 473747872 /nfs/dbraw/zinc/74/78/72/473747872.db2.gz SEQZSZXYAVNNMZ-HTBDUDNFSA-N 1 3 331.504 2.805 20 0 EFADHO CC(C)[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000269250835 473749535 /nfs/dbraw/zinc/74/95/35/473749535.db2.gz GRFDAVGIIHHQCS-QGZVFWFLSA-N 1 3 337.895 2.652 20 0 EFADHO COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1OC ZINC000192970566 473753210 /nfs/dbraw/zinc/75/32/10/473753210.db2.gz JZRFKKHEJKXVLO-FBVQUNGASA-N 1 3 347.503 2.521 20 0 EFADHO COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1OC ZINC000192970566 473753217 /nfs/dbraw/zinc/75/32/17/473753217.db2.gz JZRFKKHEJKXVLO-FBVQUNGASA-N 1 3 347.503 2.521 20 0 EFADHO COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)N(C)C)cc1OC ZINC000192970566 473753225 /nfs/dbraw/zinc/75/32/25/473753225.db2.gz JZRFKKHEJKXVLO-FBVQUNGASA-N 1 3 347.503 2.521 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000269267318 473755639 /nfs/dbraw/zinc/75/56/39/473755639.db2.gz QGMLZPPDZUEMNR-YJBOKZPZSA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)C[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000269267318 473755643 /nfs/dbraw/zinc/75/56/43/473755643.db2.gz QGMLZPPDZUEMNR-YJBOKZPZSA-N 1 3 333.476 2.719 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000245888115 473757308 /nfs/dbraw/zinc/75/73/08/473757308.db2.gz MYBNSHMNLOFKNI-IXDOHACOSA-N 1 3 338.540 2.621 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2ccsc2C(F)(F)F)CC1 ZINC000623356743 480247557 /nfs/dbraw/zinc/24/75/57/480247557.db2.gz DQKVADOAWUFCRE-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000246015920 473770706 /nfs/dbraw/zinc/77/07/06/473770706.db2.gz JAJIHAHPVSPPBX-XMTFNYHQSA-N 1 3 344.565 2.690 20 0 EFADHO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC[C@@H]3CCCN3C)ccc2NC1=O ZINC000180034273 473781004 /nfs/dbraw/zinc/78/10/04/473781004.db2.gz HLDWJOQYDODGFY-UKPHBRMFSA-N 1 3 331.460 2.931 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000246162337 473791071 /nfs/dbraw/zinc/79/10/71/473791071.db2.gz FDPBBTJHSFJEKO-CRAIPNDOSA-N 1 3 344.503 2.563 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 ZINC000246162337 473791080 /nfs/dbraw/zinc/79/10/80/473791080.db2.gz FDPBBTJHSFJEKO-CRAIPNDOSA-N 1 3 344.503 2.563 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])N(C)Cc1ccccc1 ZINC000246225907 473799929 /nfs/dbraw/zinc/79/99/29/473799929.db2.gz HDUHPVAETDARGX-NZSAHSFTSA-N 1 3 331.504 2.921 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000246242739 473803195 /nfs/dbraw/zinc/80/31/95/473803195.db2.gz DJPWFFAXVQOIOM-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000246242739 473803198 /nfs/dbraw/zinc/80/31/98/473803198.db2.gz DJPWFFAXVQOIOM-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287968723 473812595 /nfs/dbraw/zinc/81/25/95/473812595.db2.gz JHBSFISVRBPMPT-AOIWGVFYSA-N 1 3 346.519 2.661 20 0 EFADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000287968723 473812602 /nfs/dbraw/zinc/81/26/02/473812602.db2.gz JHBSFISVRBPMPT-AOIWGVFYSA-N 1 3 346.519 2.661 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000193849047 473814840 /nfs/dbraw/zinc/81/48/40/473814840.db2.gz CVCCNURECKDYEH-UHFFFAOYSA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000287994035 473819045 /nfs/dbraw/zinc/81/90/45/473819045.db2.gz BCNVYOSDJAUWFA-GOSISDBHSA-N 1 3 335.492 2.533 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000287994035 473819054 /nfs/dbraw/zinc/81/90/54/473819054.db2.gz BCNVYOSDJAUWFA-GOSISDBHSA-N 1 3 335.492 2.533 20 0 EFADHO CCN(CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000263750117 473833370 /nfs/dbraw/zinc/83/33/70/473833370.db2.gz PQROBNAQXIAXPA-UHFFFAOYSA-N 1 3 329.488 2.887 20 0 EFADHO CC[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[NH+](CC)CC ZINC000269596016 473842936 /nfs/dbraw/zinc/84/29/36/473842936.db2.gz FAUAKMNEEVLSAQ-LPHOPBHVSA-N 1 3 346.519 2.844 20 0 EFADHO C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000288158790 473862787 /nfs/dbraw/zinc/86/27/87/473862787.db2.gz OHSQNXNNFJKVIM-ZAWLATJESA-N 1 3 346.519 2.659 20 0 EFADHO C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000288158790 473862792 /nfs/dbraw/zinc/86/27/92/473862792.db2.gz OHSQNXNNFJKVIM-ZAWLATJESA-N 1 3 346.519 2.659 20 0 EFADHO C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000288158786 473862899 /nfs/dbraw/zinc/86/28/99/473862899.db2.gz OHSQNXNNFJKVIM-KCITZHQASA-N 1 3 346.519 2.659 20 0 EFADHO C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[C@H](c1ccccc1)N(C)C ZINC000288158786 473862904 /nfs/dbraw/zinc/86/29/04/473862904.db2.gz OHSQNXNNFJKVIM-KCITZHQASA-N 1 3 346.519 2.659 20 0 EFADHO C=Cn1cc(C[NH2+]CC2CCN(Cc3ccc(OC)cc3)CC2)cn1 ZINC000194272955 473870706 /nfs/dbraw/zinc/87/07/06/473870706.db2.gz APOMPBDPRARXEY-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO C[C@@H](NC(=O)NCC1(C)CC[NH+](C)CC1)[C@H](c1ccccc1)N(C)C ZINC000288188381 473870954 /nfs/dbraw/zinc/87/09/54/473870954.db2.gz PYZNDRNNJHIFTH-SJLPKXTDSA-N 1 3 346.519 2.709 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246461524 473871860 /nfs/dbraw/zinc/87/18/60/473871860.db2.gz PFGFCAXRJMEQQJ-QFBILLFUSA-N 1 3 346.519 2.620 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)[C@@H](C)C1 ZINC000246461524 473871866 /nfs/dbraw/zinc/87/18/66/473871866.db2.gz PFGFCAXRJMEQQJ-QFBILLFUSA-N 1 3 346.519 2.620 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000173562016 473877493 /nfs/dbraw/zinc/87/74/93/473877493.db2.gz CFTPYHXBQKUERG-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000180461284 473883325 /nfs/dbraw/zinc/88/33/25/473883325.db2.gz DAEMCIBPRDDZIQ-CEXWTWQISA-N 1 3 343.515 2.649 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCSCC1 ZINC000187536551 473883686 /nfs/dbraw/zinc/88/36/86/473883686.db2.gz DLSAXZIAXNFANB-BEFAXECRSA-N 1 3 334.529 2.875 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@](C)(O)C(F)(F)F ZINC000281950828 473895132 /nfs/dbraw/zinc/89/51/32/473895132.db2.gz JQTJMACLPUZQPO-MRXNPFEDSA-N 1 3 345.409 2.933 20 0 EFADHO CC(C)N1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000263909086 473901257 /nfs/dbraw/zinc/90/12/57/473901257.db2.gz JPZQVQZOOOHGQO-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000187819987 473926438 /nfs/dbraw/zinc/92/64/38/473926438.db2.gz DPJUAIONQGKWTP-LJQANCHMSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000187819987 473926443 /nfs/dbraw/zinc/92/64/43/473926443.db2.gz DPJUAIONQGKWTP-LJQANCHMSA-N 1 3 346.519 2.536 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000246739245 473946352 /nfs/dbraw/zinc/94/63/52/473946352.db2.gz AWZLVVXQJFZOSW-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000246739245 473946358 /nfs/dbraw/zinc/94/63/58/473946358.db2.gz AWZLVVXQJFZOSW-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1OC ZINC000282108166 473947841 /nfs/dbraw/zinc/94/78/41/473947841.db2.gz AABIMQJFKGLDEB-INIZCTEOSA-N 1 3 349.519 2.689 20 0 EFADHO CC(C)N1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000264122524 473951791 /nfs/dbraw/zinc/95/17/91/473951791.db2.gz CKBUDTYHXJVACT-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(C)(C)C ZINC000608694986 480071863 /nfs/dbraw/zinc/07/18/63/480071863.db2.gz SMBARTWZOXBETK-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCCC(C)(C)C ZINC000608694986 480071867 /nfs/dbraw/zinc/07/18/67/480071867.db2.gz SMBARTWZOXBETK-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194849185 473962765 /nfs/dbraw/zinc/96/27/65/473962765.db2.gz KCOFKCIDAXENPK-IBGZPJMESA-N 1 3 331.504 2.690 20 0 EFADHO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274801355 473964836 /nfs/dbraw/zinc/96/48/36/473964836.db2.gz VHSHIAGKEFUGPK-IMJJTQAJSA-N 1 3 330.394 2.800 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(O)c1 ZINC000194956980 473982810 /nfs/dbraw/zinc/98/28/10/473982810.db2.gz YLMGLFTTWZOOSL-QRWLVFNGSA-N 1 3 326.440 2.810 20 0 EFADHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(O)c1 ZINC000194956980 473982816 /nfs/dbraw/zinc/98/28/16/473982816.db2.gz YLMGLFTTWZOOSL-QRWLVFNGSA-N 1 3 326.440 2.810 20 0 EFADHO Cc1csc(=O)n1CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274842200 473983838 /nfs/dbraw/zinc/98/38/38/473983838.db2.gz OQVCGFJGEQMHHV-YJBOKZPZSA-N 1 3 345.512 2.718 20 0 EFADHO Cc1csc(=O)n1CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274842200 473983843 /nfs/dbraw/zinc/98/38/43/473983843.db2.gz OQVCGFJGEQMHHV-YJBOKZPZSA-N 1 3 345.512 2.718 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000174119234 473990032 /nfs/dbraw/zinc/99/00/32/473990032.db2.gz LCYDCNOTSRQZKF-MOPGFXCFSA-N 1 3 329.488 2.594 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cccc(Br)c2)CC1(C)C ZINC000282233651 473990804 /nfs/dbraw/zinc/99/08/04/473990804.db2.gz FQFHCMGOBGKARA-UHFFFAOYSA-N 1 3 340.309 2.565 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1(C)C ZINC000282280876 474006843 /nfs/dbraw/zinc/00/68/43/474006843.db2.gz KZGOSAONYIJTAH-KRWDZBQOSA-N 1 3 335.467 2.655 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1(C)C ZINC000282283995 474007707 /nfs/dbraw/zinc/00/77/07/474007707.db2.gz IKIBLZBGFGKKMP-UHFFFAOYSA-N 1 3 347.400 2.960 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000246940366 474010225 /nfs/dbraw/zinc/01/02/25/474010225.db2.gz HPWOVPHQAKKUAY-LPHOPBHVSA-N 1 3 331.504 2.989 20 0 EFADHO CSc1ccccc1C[C@@H](C)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282296730 474014032 /nfs/dbraw/zinc/01/40/32/474014032.db2.gz MBBOICXTMFMKHR-MRXNPFEDSA-N 1 3 335.561 2.955 20 0 EFADHO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274930870 474017855 /nfs/dbraw/zinc/01/78/55/474017855.db2.gz QVSZOBDVCGJUJB-IHPCNDPISA-N 1 3 347.572 2.924 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195193241 474026885 /nfs/dbraw/zinc/02/68/85/474026885.db2.gz WEODWQMGCVEANR-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc2c(c1)CCO2 ZINC000282342675 474029580 /nfs/dbraw/zinc/02/95/80/474029580.db2.gz OWQZTMBTTSMOEP-GOSISDBHSA-N 1 3 331.504 2.688 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246997444 474030272 /nfs/dbraw/zinc/03/02/72/474030272.db2.gz TVCGAWFFZQIKHN-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000246997444 474030279 /nfs/dbraw/zinc/03/02/79/474030279.db2.gz TVCGAWFFZQIKHN-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc(F)c(F)c(F)c1 ZINC000282350152 474033133 /nfs/dbraw/zinc/03/31/33/474033133.db2.gz PGUYOFVERCFXAR-LBPRGKRZSA-N 1 3 329.410 2.781 20 0 EFADHO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174408558 474035815 /nfs/dbraw/zinc/03/58/15/474035815.db2.gz QXKWBMICZJIXAP-LPHOPBHVSA-N 1 3 329.488 2.790 20 0 EFADHO COc1ccc2ccccc2c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000282369959 474038791 /nfs/dbraw/zinc/03/87/91/474038791.db2.gz NVHUUWZUCRXCEJ-UHFFFAOYSA-N 1 3 341.499 2.964 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275022503 474045195 /nfs/dbraw/zinc/04/51/95/474045195.db2.gz UACDFCFNUGTJIO-AWEZNQCLSA-N 1 3 327.875 2.842 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000247051654 474049600 /nfs/dbraw/zinc/04/96/00/474049600.db2.gz SAAGDXODLJHAQM-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC000247051654 474049605 /nfs/dbraw/zinc/04/96/05/474049605.db2.gz SAAGDXODLJHAQM-BBWFWOEESA-N 1 3 331.504 2.844 20 0 EFADHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000275040988 474051718 /nfs/dbraw/zinc/05/17/18/474051718.db2.gz YEUOOWQUIXMXHT-IRXDYDNUSA-N 1 3 326.843 2.947 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000174607390 474069397 /nfs/dbraw/zinc/06/93/97/474069397.db2.gz AMVQIXGOKAMIHA-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(F)cc1N(C)C ZINC000282451492 474072168 /nfs/dbraw/zinc/07/21/68/474072168.db2.gz VCDMMIFOZBYDEH-HNNXBMFYSA-N 1 3 336.499 2.568 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000264660884 474079179 /nfs/dbraw/zinc/07/91/79/474079179.db2.gz VQSXUZOXNPVSFC-FBLDJFESSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000264660884 474079185 /nfs/dbraw/zinc/07/91/85/474079185.db2.gz VQSXUZOXNPVSFC-FBLDJFESSA-N 1 3 343.515 2.899 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)C1 ZINC000264660893 474079828 /nfs/dbraw/zinc/07/98/28/474079828.db2.gz VQSXUZOXNPVSFC-ZBKUBXTQSA-N 1 3 343.515 2.899 20 0 EFADHO CC[N@@H+]1CC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C)C1 ZINC000282519883 474096977 /nfs/dbraw/zinc/09/69/77/474096977.db2.gz UKCZPIOKQZAOPT-SZMVWBNQSA-N 1 3 330.476 2.613 20 0 EFADHO CC[N@H+]1CC[C@H](N[C@H]2CCN(C(=O)Nc3ccccc3)C2)[C@@H](C)C1 ZINC000282519883 474096984 /nfs/dbraw/zinc/09/69/84/474096984.db2.gz UKCZPIOKQZAOPT-SZMVWBNQSA-N 1 3 330.476 2.613 20 0 EFADHO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000182087666 474097738 /nfs/dbraw/zinc/09/77/38/474097738.db2.gz LXMZGESLGXEGSO-WBVHZDCISA-N 1 3 345.487 2.797 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@@H+]1C ZINC000247253080 474101438 /nfs/dbraw/zinc/10/14/38/474101438.db2.gz ZUESDMGBMQQHAO-FRRDWIJNSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cccc(Cl)c2Cl)CC[N@H+]1C ZINC000247253080 474101443 /nfs/dbraw/zinc/10/14/43/474101443.db2.gz ZUESDMGBMQQHAO-FRRDWIJNSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195606670 474102284 /nfs/dbraw/zinc/10/22/84/474102284.db2.gz VLZONBWFQCMKEQ-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000195606670 474102290 /nfs/dbraw/zinc/10/22/90/474102290.db2.gz VLZONBWFQCMKEQ-FGTMMUONSA-N 1 3 338.540 2.528 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583660 474119012 /nfs/dbraw/zinc/11/90/12/474119012.db2.gz WFKGFXDAVWDPTJ-PKOBYXMFSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583660 474119018 /nfs/dbraw/zinc/11/90/18/474119018.db2.gz WFKGFXDAVWDPTJ-PKOBYXMFSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583660 474119024 /nfs/dbraw/zinc/11/90/24/474119024.db2.gz WFKGFXDAVWDPTJ-PKOBYXMFSA-N 1 3 329.488 2.565 20 0 EFADHO C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000289056110 474132175 /nfs/dbraw/zinc/13/21/75/474132175.db2.gz BQLTXGPENICPPR-BBRMVZONSA-N 1 3 330.394 2.855 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264822855 474139617 /nfs/dbraw/zinc/13/96/17/474139617.db2.gz XRLRIUOQFMBAFP-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000264850252 474148996 /nfs/dbraw/zinc/14/89/96/474148996.db2.gz LJRYFTZTQKSOHX-UHFFFAOYSA-N 1 3 344.503 2.566 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000220771723 474157362 /nfs/dbraw/zinc/15/73/62/474157362.db2.gz BZJFNOGNBCSREY-MRXNPFEDSA-N 1 3 325.497 2.848 20 0 EFADHO O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000182381547 474162092 /nfs/dbraw/zinc/16/20/92/474162092.db2.gz ABITWJUYRHBSEP-UHFFFAOYSA-N 1 3 348.462 2.975 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540652 474177472 /nfs/dbraw/zinc/17/74/72/474177472.db2.gz QAHMXEVGPTXMHP-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540652 474177475 /nfs/dbraw/zinc/17/74/75/474177475.db2.gz QAHMXEVGPTXMHP-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247540652 474177484 /nfs/dbraw/zinc/17/74/84/474177484.db2.gz QAHMXEVGPTXMHP-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000247543205 474177874 /nfs/dbraw/zinc/17/78/74/474177874.db2.gz YEVURQRZVWPKMP-YZGWKJHDSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000247543205 474177878 /nfs/dbraw/zinc/17/78/78/474177878.db2.gz YEVURQRZVWPKMP-YZGWKJHDSA-N 1 3 343.515 2.697 20 0 EFADHO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cccc(CN2CCCC2)c1 ZINC000188753613 474185009 /nfs/dbraw/zinc/18/50/09/474185009.db2.gz HIKLVCYWAFMWCU-UHFFFAOYSA-N 1 3 335.451 2.816 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000275461011 474194031 /nfs/dbraw/zinc/19/40/31/474194031.db2.gz DJVHLYKIEFRXNN-UHFFFAOYSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289244705 474194506 /nfs/dbraw/zinc/19/45/06/474194506.db2.gz ZZHQBGXXNQEFRP-NJAFHUGGSA-N 1 3 344.455 2.672 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000289244705 474194508 /nfs/dbraw/zinc/19/45/08/474194508.db2.gz ZZHQBGXXNQEFRP-NJAFHUGGSA-N 1 3 344.455 2.672 20 0 EFADHO CC(C)(CNC(=O)C1C[C@H](c2ccccc2)OC1=O)C[NH+]1CCCC1 ZINC000289244998 474195470 /nfs/dbraw/zinc/19/54/70/474195470.db2.gz AOUSRRLBBAJVAW-DLBZAZTESA-N 1 3 344.455 2.529 20 0 EFADHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000188788961 474196975 /nfs/dbraw/zinc/19/69/75/474196975.db2.gz VKUIHHJAYHMVKJ-ZWKOTPCHSA-N 1 3 335.467 2.625 20 0 EFADHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](F)CN2)c1 ZINC000188788961 474196983 /nfs/dbraw/zinc/19/69/83/474196983.db2.gz VKUIHHJAYHMVKJ-ZWKOTPCHSA-N 1 3 335.467 2.625 20 0 EFADHO Cc1ccc2[nH]c([C@@H]3CCCN(C[C@H](O)C[N@@H+](C)C4CC4)C3)nc2c1 ZINC000289284545 474210485 /nfs/dbraw/zinc/21/04/85/474210485.db2.gz AIYRDZHYTFJJGE-NVXWUHKLSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2[nH]c([C@@H]3CCCN(C[C@H](O)C[N@H+](C)C4CC4)C3)nc2c1 ZINC000289284545 474210489 /nfs/dbraw/zinc/21/04/89/474210489.db2.gz AIYRDZHYTFJJGE-NVXWUHKLSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@@H]3CCCN(C[C@H](O)C[N@@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289284545 474210496 /nfs/dbraw/zinc/21/04/96/474210496.db2.gz AIYRDZHYTFJJGE-NVXWUHKLSA-N 1 3 342.487 2.506 20 0 EFADHO Cc1ccc2nc([C@@H]3CCCN(C[C@H](O)C[N@H+](C)C4CC4)C3)[nH]c2c1 ZINC000289284545 474210502 /nfs/dbraw/zinc/21/05/02/474210502.db2.gz AIYRDZHYTFJJGE-NVXWUHKLSA-N 1 3 342.487 2.506 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464228 474227455 /nfs/dbraw/zinc/22/74/55/474227455.db2.gz PWCMJVUHPOLNSL-IAGOWNOFSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)N(C)C1CC1 ZINC000175464228 474227464 /nfs/dbraw/zinc/22/74/64/474227464.db2.gz PWCMJVUHPOLNSL-IAGOWNOFSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000226683343 474242933 /nfs/dbraw/zinc/24/29/33/474242933.db2.gz XOVUYBHGRKYQML-HNNXBMFYSA-N 1 3 325.497 2.706 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)[C@@H](C)C1 ZINC000248068486 474255892 /nfs/dbraw/zinc/25/58/92/474255892.db2.gz MIXZRHFYDUYHMR-KXBFYZLASA-N 1 3 348.535 2.823 20 0 EFADHO CCc1nc(C)c([C@H](C)NCCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000248067448 474255989 /nfs/dbraw/zinc/25/59/89/474255989.db2.gz MHVWHQZISULEKI-ZFWWWQNUSA-N 1 3 325.522 2.901 20 0 EFADHO CCc1nc(C)c([C@H](C)NCCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248067448 474255995 /nfs/dbraw/zinc/25/59/95/474255995.db2.gz MHVWHQZISULEKI-ZFWWWQNUSA-N 1 3 325.522 2.901 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC000230940517 474262368 /nfs/dbraw/zinc/26/23/68/474262368.db2.gz FEMKSKQNFIMDMZ-CVEARBPZSA-N 1 3 327.513 2.715 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccs1 ZINC000265591410 474262917 /nfs/dbraw/zinc/26/29/17/474262917.db2.gz ATAMLHCNBAWIST-CVEARBPZSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccs1 ZINC000265591410 474262924 /nfs/dbraw/zinc/26/29/24/474262924.db2.gz ATAMLHCNBAWIST-CVEARBPZSA-N 1 3 337.533 2.726 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972316 474262897 /nfs/dbraw/zinc/26/28/97/474262897.db2.gz LQUFDOYQUSMFLM-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CC[N@H+]1CC[C@@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972316 474262901 /nfs/dbraw/zinc/26/29/01/474262901.db2.gz LQUFDOYQUSMFLM-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO CCN1CC[C@@H](C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230972316 474262904 /nfs/dbraw/zinc/26/29/04/474262904.db2.gz LQUFDOYQUSMFLM-HNNXBMFYSA-N 1 3 327.513 2.953 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182893597 474280705 /nfs/dbraw/zinc/28/07/05/474280705.db2.gz XWNNMQMASRNJTC-SCTDSRPQSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182893597 474280711 /nfs/dbraw/zinc/28/07/11/474280711.db2.gz XWNNMQMASRNJTC-SCTDSRPQSA-N 1 3 348.535 2.519 20 0 EFADHO CC(C)C[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000236727799 474284811 /nfs/dbraw/zinc/28/48/11/474284811.db2.gz DRXPVSKRFRWEJC-LJQANCHMSA-N 1 3 331.504 2.908 20 0 EFADHO COC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@@H](O)C1)C1CCCC1 ZINC000275696693 474286009 /nfs/dbraw/zinc/28/60/09/474286009.db2.gz JZSFJYQAGAPQJN-WOJBJXKFSA-N 1 3 332.488 2.548 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CCCC2)cc1 ZINC000275699116 474286985 /nfs/dbraw/zinc/28/69/85/474286985.db2.gz LFVOJMRVYKRRAH-LJQANCHMSA-N 1 3 327.476 2.793 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(-c2ccco2)s1 ZINC000289475285 474287555 /nfs/dbraw/zinc/28/75/55/474287555.db2.gz PWZBIWVAUSLLRK-UHFFFAOYSA-N 1 3 348.516 2.861 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000248327164 474288853 /nfs/dbraw/zinc/28/88/53/474288853.db2.gz CFSQBUIOVQZAPP-SJORKVTESA-N 1 3 329.488 2.629 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](CCCOc3ccccc3)CC2)CC1 ZINC000270865184 474300243 /nfs/dbraw/zinc/30/02/43/474300243.db2.gz IPIVXDJOGFBHBZ-UHFFFAOYSA-N 1 3 345.531 2.946 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1 ZINC000236923033 474303000 /nfs/dbraw/zinc/30/30/00/474303000.db2.gz KTMDFKMERWHOQQ-FQEVSTJZSA-N 1 3 339.483 2.887 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000236926067 474305449 /nfs/dbraw/zinc/30/54/49/474305449.db2.gz IKJFBBBUHUYKIR-KXBFYZLASA-N 1 3 346.519 2.777 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000236953340 474310525 /nfs/dbraw/zinc/31/05/25/474310525.db2.gz DDWONJUIKMDIJW-APWZRJJASA-N 1 3 331.504 2.908 20 0 EFADHO CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000236984526 474315795 /nfs/dbraw/zinc/31/57/95/474315795.db2.gz GLICQWZBIBRPMG-KDOFPFPSSA-N 1 3 333.476 2.782 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000236990998 474317270 /nfs/dbraw/zinc/31/72/70/474317270.db2.gz KFGIZTCVECZAHB-YJBOKZPZSA-N 1 3 332.492 2.520 20 0 EFADHO C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc21 ZINC000237000888 474320502 /nfs/dbraw/zinc/32/05/02/474320502.db2.gz ZGHFSPHKKDWFLK-LJQANCHMSA-N 1 3 328.460 2.674 20 0 EFADHO C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248437172 474321729 /nfs/dbraw/zinc/32/17/29/474321729.db2.gz GWWRKAUBQFFPJE-JXFKEZNVSA-N 1 3 325.456 2.889 20 0 EFADHO C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248437172 474321735 /nfs/dbraw/zinc/32/17/35/474321735.db2.gz GWWRKAUBQFFPJE-JXFKEZNVSA-N 1 3 325.456 2.889 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000175846250 474323952 /nfs/dbraw/zinc/32/39/52/474323952.db2.gz WDRCPADCJMYRCV-UHFFFAOYSA-N 1 3 343.471 2.956 20 0 EFADHO CC1(C)C[C@H]([NH2+]Cc2ccccc2CN2CC[C@@H](O)C2)C(C)(C)O1 ZINC000248448146 474326889 /nfs/dbraw/zinc/32/68/89/474326889.db2.gz NTOSCGSADWHNEE-MSOLQXFVSA-N 1 3 332.488 2.689 20 0 EFADHO C[N@H+](CCCNC(=O)C[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000237068350 474330942 /nfs/dbraw/zinc/33/09/42/474330942.db2.gz CNAOCAQILPWLIF-IBGZPJMESA-N 1 3 325.456 2.715 20 0 EFADHO C[N@@H+](CCCNC(=O)C[C@H](N)c1ccccc1)Cc1ccccc1 ZINC000237068350 474330952 /nfs/dbraw/zinc/33/09/52/474330952.db2.gz CNAOCAQILPWLIF-IBGZPJMESA-N 1 3 325.456 2.715 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248554355 474355296 /nfs/dbraw/zinc/35/52/96/474355296.db2.gz KAVRDQVOUIGLSH-PXNSSMCTSA-N 1 3 342.483 2.964 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248554355 474355300 /nfs/dbraw/zinc/35/53/00/474355300.db2.gz KAVRDQVOUIGLSH-PXNSSMCTSA-N 1 3 342.483 2.964 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1Cl ZINC000237199081 474355503 /nfs/dbraw/zinc/35/55/03/474355503.db2.gz AVEPDFOFEPBXCH-QGZVFWFLSA-N 1 3 339.867 2.609 20 0 EFADHO CN(C)CCOc1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000237194058 474355995 /nfs/dbraw/zinc/35/59/95/474355995.db2.gz QFXRRNNVFHRVPC-RTBURBONSA-N 1 3 347.503 2.541 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237332003 474383754 /nfs/dbraw/zinc/38/37/54/474383754.db2.gz LKVNELMNOAUCTI-PBHICJAKSA-N 1 3 335.517 2.937 20 0 EFADHO CSCC[C@H](N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237332003 474383758 /nfs/dbraw/zinc/38/37/58/474383758.db2.gz LKVNELMNOAUCTI-PBHICJAKSA-N 1 3 335.517 2.937 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000237348601 474386948 /nfs/dbraw/zinc/38/69/48/474386948.db2.gz XWMVDFYADKZIMP-APWZRJJASA-N 1 3 329.488 2.819 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000237348601 474386955 /nfs/dbraw/zinc/38/69/55/474386955.db2.gz XWMVDFYADKZIMP-APWZRJJASA-N 1 3 329.488 2.819 20 0 EFADHO C[NH+](C)C[C@@H]1CCN(C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667041 474400218 /nfs/dbraw/zinc/40/02/18/474400218.db2.gz OYTYXCJEBAAEKY-MAUKXSAKSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667041 474400224 /nfs/dbraw/zinc/40/02/24/474400224.db2.gz OYTYXCJEBAAEKY-MAUKXSAKSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248667041 474400228 /nfs/dbraw/zinc/40/02/28/474400228.db2.gz OYTYXCJEBAAEKY-MAUKXSAKSA-N 1 3 325.497 2.517 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248674053 474401494 /nfs/dbraw/zinc/40/14/94/474401494.db2.gz WEODWQMGCVEANR-QFBILLFUSA-N 1 3 339.524 2.955 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)C[C@H](C)C2CC[NH2+]CC2)N(C)C)cc1 ZINC000237455259 474407874 /nfs/dbraw/zinc/40/78/74/474407874.db2.gz YECUQSAPTIVESA-QFBILLFUSA-N 1 3 331.504 2.740 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000237464737 474410091 /nfs/dbraw/zinc/41/00/91/474410091.db2.gz ZHZRTSVCUROOAB-UHOSZYNNSA-N 1 3 331.504 2.740 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(N)CCCC2)C1 ZINC000237471760 474411830 /nfs/dbraw/zinc/41/18/30/474411830.db2.gz DCQFFUVRJHPVOJ-MRXNPFEDSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2(N)CCCC2)C1 ZINC000237471760 474411837 /nfs/dbraw/zinc/41/18/37/474411837.db2.gz DCQFFUVRJHPVOJ-MRXNPFEDSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCCN3)cc2)C1 ZINC000237471237 474412671 /nfs/dbraw/zinc/41/26/71/474412671.db2.gz XRGDYMBKCUIXFH-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO COC[C@@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248722822 474415192 /nfs/dbraw/zinc/41/51/92/474415192.db2.gz GOTNAAPHQVNJCD-ZWKOTPCHSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1 ZINC000248722822 474415197 /nfs/dbraw/zinc/41/51/97/474415197.db2.gz GOTNAAPHQVNJCD-ZWKOTPCHSA-N 1 3 340.895 2.854 20 0 EFADHO C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000237486026 474415617 /nfs/dbraw/zinc/41/56/17/474415617.db2.gz VRAOPBJSTKMRBU-MSOLQXFVSA-N 1 3 343.515 2.544 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@H+](C)CCOC)c2ccccc21 ZINC000283494960 474418458 /nfs/dbraw/zinc/41/84/58/474418458.db2.gz YHYZUOKHWQQGAA-MOPGFXCFSA-N 1 3 348.487 2.726 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H](NCCC[N@@H+](C)CCOC)c2ccccc21 ZINC000283494960 474418464 /nfs/dbraw/zinc/41/84/64/474418464.db2.gz YHYZUOKHWQQGAA-MOPGFXCFSA-N 1 3 348.487 2.726 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000237519827 474420654 /nfs/dbraw/zinc/42/06/54/474420654.db2.gz CSFNSBMCELVNRO-LPHOPBHVSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237519748 474421551 /nfs/dbraw/zinc/42/15/51/474421551.db2.gz SEQZSZXYAVNNMZ-CNMWIUBYSA-N 1 3 331.504 2.805 20 0 EFADHO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[C@@H](N)c1ccccc1 ZINC000237519748 474421556 /nfs/dbraw/zinc/42/15/56/474421556.db2.gz SEQZSZXYAVNNMZ-CNMWIUBYSA-N 1 3 331.504 2.805 20 0 EFADHO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000183747029 474422210 /nfs/dbraw/zinc/42/22/10/474422210.db2.gz CEUIREUZFLYQET-JYJNAYRXSA-N 1 3 328.497 2.586 20 0 EFADHO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCCN2)CCCC1)c1ccccc1 ZINC000237525462 474422711 /nfs/dbraw/zinc/42/27/11/474422711.db2.gz VRPSYOJOHPNZNR-WMZOPIPTSA-N 1 3 329.488 2.908 20 0 EFADHO CC(C)OC1CC([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1 ZINC000189503675 474422837 /nfs/dbraw/zinc/42/28/37/474422837.db2.gz RZNUCWYSGPSOAM-UHFFFAOYSA-N 1 3 332.488 2.689 20 0 EFADHO C[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237554621 474427526 /nfs/dbraw/zinc/42/75/26/474427526.db2.gz MDONZRBYXSBFGP-UYAOXDASSA-N 1 3 343.515 2.747 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H](N)c1ccccc1 ZINC000237584905 474435145 /nfs/dbraw/zinc/43/51/45/474435145.db2.gz DBOCDDMQWSMKHD-KXBFYZLASA-N 1 3 341.455 2.902 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c(OCCN(C)C)c1 ZINC000237592748 474436752 /nfs/dbraw/zinc/43/67/52/474436752.db2.gz OGMWKTBZKBVSIM-DLBZAZTESA-N 1 3 347.503 2.900 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)c2nccc3ccccc32)CC1 ZINC000289811936 474438465 /nfs/dbraw/zinc/43/84/65/474438465.db2.gz PMGCIMOVPXRHRP-QGZVFWFLSA-N 1 3 326.488 2.913 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000276169372 474439681 /nfs/dbraw/zinc/43/96/81/474439681.db2.gz FSPVAFQFSXKWTH-UHFFFAOYSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@H](CC(=O)NCCCN1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000237622366 474442023 /nfs/dbraw/zinc/44/20/23/474442023.db2.gz AGZFVTCKJOCVCV-IEBWSBKVSA-N 1 3 343.515 2.577 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176400201 474463161 /nfs/dbraw/zinc/46/31/61/474463161.db2.gz WTPGFOYUOQQJCL-GOSISDBHSA-N 1 3 336.524 2.567 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000237728507 474465902 /nfs/dbraw/zinc/46/59/02/474465902.db2.gz OLMUWBMVOHUNDM-HXUWFJFHSA-N 1 3 329.488 2.608 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189709499 474468701 /nfs/dbraw/zinc/46/87/01/474468701.db2.gz HOLBWJVPKRJDKO-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC1(N(C)C)CCC1 ZINC000189709499 474468706 /nfs/dbraw/zinc/46/87/06/474468706.db2.gz HOLBWJVPKRJDKO-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)[C@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000271278548 474473003 /nfs/dbraw/zinc/47/30/03/474473003.db2.gz BZEFFUNAHNEXHC-LJQANCHMSA-N 1 3 346.519 2.733 20 0 EFADHO [NH3+]C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000237820351 474481707 /nfs/dbraw/zinc/48/17/07/474481707.db2.gz IESOFDUKVGRQLE-VQTJNVASSA-N 1 3 337.467 2.682 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000176465593 474483093 /nfs/dbraw/zinc/48/30/93/474483093.db2.gz VDXKHIBICRYPKJ-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000176465593 474483100 /nfs/dbraw/zinc/48/31/00/474483100.db2.gz VDXKHIBICRYPKJ-GOSISDBHSA-N 1 3 346.519 2.633 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CC[C@H](N2CCCC2)C1 ZINC000176488969 474488325 /nfs/dbraw/zinc/48/83/25/474488325.db2.gz MFXMWWKACIEKBP-IBGZPJMESA-N 1 3 348.535 2.663 20 0 EFADHO C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCN2C2CCCC2)cc1 ZINC000276316392 474492617 /nfs/dbraw/zinc/49/26/17/474492617.db2.gz YCMQFHZRTMYVQC-FQEVSTJZSA-N 1 3 343.515 2.814 20 0 EFADHO O=C(NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237927669 474505539 /nfs/dbraw/zinc/50/55/39/474505539.db2.gz BBJQTJFJANVEAI-OALUTQOASA-N 1 3 341.499 2.547 20 0 EFADHO Cc1noc(CCC[N@@H+](C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000271358667 474507802 /nfs/dbraw/zinc/50/78/02/474507802.db2.gz PKDDRFGSKVPNBW-UHFFFAOYSA-N 1 3 343.475 2.944 20 0 EFADHO Cc1noc(CCC[N@H+](C)CCC2CCN(c3ccncc3)CC2)n1 ZINC000271358667 474507809 /nfs/dbraw/zinc/50/78/09/474507809.db2.gz PKDDRFGSKVPNBW-UHFFFAOYSA-N 1 3 343.475 2.944 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000237958566 474511446 /nfs/dbraw/zinc/51/14/46/474511446.db2.gz OEUDNTBTOMSBJT-IBGZPJMESA-N 1 3 329.488 2.720 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000237957859 474511744 /nfs/dbraw/zinc/51/17/44/474511744.db2.gz XQPBMYFDZVQZKS-MRXNPFEDSA-N 1 3 335.517 2.781 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000283908318 474524392 /nfs/dbraw/zinc/52/43/92/474524392.db2.gz BRGMBZWDMUFMGB-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000290051773 474540269 /nfs/dbraw/zinc/54/02/69/474540269.db2.gz UCJSGTCSIYROIH-ZWKOTPCHSA-N 1 3 347.528 2.605 20 0 EFADHO CC[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000284011453 474549634 /nfs/dbraw/zinc/54/96/34/474549634.db2.gz IEGZPWXQVYQMDQ-QZTJIDSGSA-N 1 3 338.517 2.584 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000284011453 474549638 /nfs/dbraw/zinc/54/96/38/474549638.db2.gz IEGZPWXQVYQMDQ-QZTJIDSGSA-N 1 3 338.517 2.584 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(N(C)CC)nc2)[C@H](C)C1 ZINC000249347302 474559316 /nfs/dbraw/zinc/55/93/16/474559316.db2.gz FKDYQTIQHBZBMB-MJGOQNOKSA-N 1 3 348.535 2.764 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000245398458 474579693 /nfs/dbraw/zinc/57/96/93/474579693.db2.gz SRSMZZZWQWANBQ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000284206282 474595385 /nfs/dbraw/zinc/59/53/85/474595385.db2.gz SLMXOVOCMLYPRP-HKUYNNGSSA-N 1 3 341.503 2.556 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)CN1CCCC1 ZINC000267251565 474628650 /nfs/dbraw/zinc/62/86/50/474628650.db2.gz OHOXLZRGKJLEDK-SVFBPWRDSA-N 1 3 345.531 2.770 20 0 EFADHO C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000278395816 474631907 /nfs/dbraw/zinc/63/19/07/474631907.db2.gz ODBGUBIHKPXCOM-LJQANCHMSA-N 1 3 344.503 2.564 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291619132 474633141 /nfs/dbraw/zinc/63/31/41/474633141.db2.gz TZBVMUGHJDEMMB-OIISXLGYSA-N 1 3 332.444 2.527 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291619132 474633144 /nfs/dbraw/zinc/63/31/44/474633144.db2.gz TZBVMUGHJDEMMB-OIISXLGYSA-N 1 3 332.444 2.527 20 0 EFADHO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423570 474640589 /nfs/dbraw/zinc/64/05/89/474640589.db2.gz GHWYRHSLXZOFGT-JKSUJKDBSA-N 1 3 334.460 2.609 20 0 EFADHO C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000278423570 474640592 /nfs/dbraw/zinc/64/05/92/474640592.db2.gz GHWYRHSLXZOFGT-JKSUJKDBSA-N 1 3 334.460 2.609 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278458561 474649572 /nfs/dbraw/zinc/64/95/72/474649572.db2.gz XKIHTALKBGSWFC-SFHVURJKSA-N 1 3 333.545 2.932 20 0 EFADHO CC[NH+](CC)CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267339140 474651888 /nfs/dbraw/zinc/65/18/88/474651888.db2.gz NHEVMLVBBPMMRL-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CO[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)c1ccccc1 ZINC000284534413 474659550 /nfs/dbraw/zinc/65/95/50/474659550.db2.gz WYMFECDDIJGWQT-NRFANRHFSA-N 1 3 345.531 2.865 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C12CCCN1CCC2 ZINC000278498574 474663896 /nfs/dbraw/zinc/66/38/96/474663896.db2.gz ACDZQLVWANSEJB-UHFFFAOYSA-N 1 3 341.499 2.917 20 0 EFADHO [NH3+][C@H](CCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000304913124 474667635 /nfs/dbraw/zinc/66/76/35/474667635.db2.gz KVILQYPZDCOUJY-WOJBJXKFSA-N 1 3 337.467 2.857 20 0 EFADHO C[C@@H]1[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CCN1Cc1ccccc1 ZINC000291768862 474677011 /nfs/dbraw/zinc/67/70/11/474677011.db2.gz MKTOFQVQTOLNAT-OXQOHEQNSA-N 1 3 341.499 2.640 20 0 EFADHO CC(C)OC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000305075967 474682373 /nfs/dbraw/zinc/68/23/73/474682373.db2.gz NUVMFRWIFPIFAP-PKOBYXMFSA-N 1 3 326.525 2.749 20 0 EFADHO CC(C)OC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000305075967 474682379 /nfs/dbraw/zinc/68/23/79/474682379.db2.gz NUVMFRWIFPIFAP-PKOBYXMFSA-N 1 3 326.525 2.749 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@@]1(C)CO)C1CCN(C)CC1 ZINC000305089105 474685622 /nfs/dbraw/zinc/68/56/22/474685622.db2.gz OXJOVUSMYRSXJZ-RTWAWAEBSA-N 1 3 345.531 2.858 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(-c3ccco3)s2)CC1 ZINC000278534519 474688204 /nfs/dbraw/zinc/68/82/04/474688204.db2.gz SGBPANZUGCEZSU-UHFFFAOYSA-N 1 3 335.473 2.728 20 0 EFADHO C[NH+](C)CCCCCCCNCc1cnnn1Cc1ccccc1 ZINC000291850056 474717282 /nfs/dbraw/zinc/71/72/82/474717282.db2.gz DEZAKMQKVOOGCH-UHFFFAOYSA-N 1 3 329.492 2.928 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CC[C@H](N2CCC(C[NH+](C)C)CC2)C1=O ZINC000338910582 474723982 /nfs/dbraw/zinc/72/39/82/474723982.db2.gz ATTXMFLOTAHISK-KXBFYZLASA-N 1 3 347.478 2.761 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284713319 474737085 /nfs/dbraw/zinc/73/70/85/474737085.db2.gz VEORJMQCGZDWDY-NRDMVMEKSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@H]1c1ccccc1 ZINC000284713319 474737092 /nfs/dbraw/zinc/73/70/92/474737092.db2.gz VEORJMQCGZDWDY-NRDMVMEKSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@@H]([NH2+]C[C@@H]2OCCN(CC)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000284713319 474737098 /nfs/dbraw/zinc/73/70/98/474737098.db2.gz VEORJMQCGZDWDY-NRDMVMEKSA-N 1 3 345.531 2.768 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158818 474748003 /nfs/dbraw/zinc/74/80/03/474748003.db2.gz BHSWOBPTOGQMJH-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1CCN(C)CC1 ZINC000273158818 474748009 /nfs/dbraw/zinc/74/80/09/474748009.db2.gz BHSWOBPTOGQMJH-YLJYHZDGSA-N 1 3 343.515 2.745 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1C ZINC000273162354 474751070 /nfs/dbraw/zinc/75/10/70/474751070.db2.gz KTOFXWDUCOORGS-SFHVURJKSA-N 1 3 333.520 2.990 20 0 EFADHO CN(c1ccccc1C[N@H+](C)C[C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000305749023 474765468 /nfs/dbraw/zinc/76/54/68/474765468.db2.gz WOCGVQVCPVJMHR-GHTZIAJQSA-N 1 3 345.531 2.810 20 0 EFADHO CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O)C1CCN(C)CC1 ZINC000305749023 474765481 /nfs/dbraw/zinc/76/54/81/474765481.db2.gz WOCGVQVCPVJMHR-GHTZIAJQSA-N 1 3 345.531 2.810 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000340932801 474789868 /nfs/dbraw/zinc/78/98/68/474789868.db2.gz XMAMGEDYDQEVAU-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)CCNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338973651 474792963 /nfs/dbraw/zinc/79/29/63/474792963.db2.gz LDBQBYPSULWTNV-UHFFFAOYSA-N 1 3 334.508 2.538 20 0 EFADHO CSC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000305829906 474794167 /nfs/dbraw/zinc/79/41/67/474794167.db2.gz DJBOEFYPCCJQKI-INDMIFKZSA-N 1 3 334.529 2.601 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273237568 474796143 /nfs/dbraw/zinc/79/61/43/474796143.db2.gz PSICADSZACFMLG-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000273237568 474796149 /nfs/dbraw/zinc/79/61/49/474796149.db2.gz PSICADSZACFMLG-UHFFFAOYSA-N 1 3 331.504 2.875 20 0 EFADHO CCN1CCC(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273252463 474803408 /nfs/dbraw/zinc/80/34/08/474803408.db2.gz LFHIBROKFUGDRX-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@H]2CCN(C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884657 474812064 /nfs/dbraw/zinc/81/20/64/474812064.db2.gz REBINVNBQFQTLI-LEAZDLGRSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884657 474812071 /nfs/dbraw/zinc/81/20/71/474812071.db2.gz REBINVNBQFQTLI-LEAZDLGRSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1c1ccccc1 ZINC000284884657 474812078 /nfs/dbraw/zinc/81/20/78/474812078.db2.gz REBINVNBQFQTLI-LEAZDLGRSA-N 1 3 331.504 2.521 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000623066502 480127717 /nfs/dbraw/zinc/12/77/17/480127717.db2.gz JIVRQMHQELRNGI-IAGOWNOFSA-N 1 3 330.476 2.602 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1)[NH+]1CCCC1 ZINC000340957632 474818113 /nfs/dbraw/zinc/81/81/13/474818113.db2.gz IPMSGJODBYVJTN-NXHRZFHOSA-N 1 3 338.540 2.669 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309942203 474819393 /nfs/dbraw/zinc/81/93/93/474819393.db2.gz MVKIZTSGWMYASG-HKUYNNGSSA-N 1 3 329.488 2.547 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(I)cc1)CN(C)C ZINC000309742000 474821623 /nfs/dbraw/zinc/82/16/23/474821623.db2.gz HZLOAGSEFUXOBG-NSHDSACASA-N 1 3 332.229 2.579 20 0 EFADHO FC(F)Cn1cc(C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310093788 474822333 /nfs/dbraw/zinc/82/23/33/474822333.db2.gz SYHZVZGHUXRYBR-MRXNPFEDSA-N 1 3 334.414 2.760 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310956170 474831179 /nfs/dbraw/zinc/83/11/79/474831179.db2.gz NEVXFVNNLIARKN-OXQOHEQNSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345029962 474831434 /nfs/dbraw/zinc/83/14/34/474831434.db2.gz VBKYLRUGZQTCKC-OWSLCNJRSA-N 1 3 331.504 2.884 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000311418810 474839886 /nfs/dbraw/zinc/83/98/86/474839886.db2.gz DPTOOCCZWDXOCM-GOSISDBHSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000311418810 474839894 /nfs/dbraw/zinc/83/98/94/474839894.db2.gz DPTOOCCZWDXOCM-GOSISDBHSA-N 1 3 349.478 2.932 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292089904 474841847 /nfs/dbraw/zinc/84/18/47/474841847.db2.gz NCKWMORZGPITOY-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCOc1cccc(Br)c1)C2 ZINC000312447364 474850089 /nfs/dbraw/zinc/85/00/89/474850089.db2.gz CTEFIEMZIUHOBG-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCOc1cccc(Br)c1)C2 ZINC000312447364 474850099 /nfs/dbraw/zinc/85/00/99/474850099.db2.gz CTEFIEMZIUHOBG-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000312447364 474850103 /nfs/dbraw/zinc/85/01/03/474850103.db2.gz CTEFIEMZIUHOBG-BBRMVZONSA-N 1 3 339.277 2.889 20 0 EFADHO Brc1cnn(CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000312413339 474850295 /nfs/dbraw/zinc/85/02/95/474850295.db2.gz GEMNRJAAIDNLTD-RRFJBIMHSA-N 1 3 341.297 2.546 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)C1 ZINC000292138621 474868232 /nfs/dbraw/zinc/86/82/32/474868232.db2.gz HRCVAMYDXKWHOA-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(CN4CCCCC4)cc3)C2)C1 ZINC000292138621 474868239 /nfs/dbraw/zinc/86/82/39/474868239.db2.gz HRCVAMYDXKWHOA-NRFANRHFSA-N 1 3 341.499 2.840 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000278862342 474878022 /nfs/dbraw/zinc/87/80/22/474878022.db2.gz RDURDCREJRVYIR-XKRYSZRTSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000278862342 474878034 /nfs/dbraw/zinc/87/80/34/474878034.db2.gz RDURDCREJRVYIR-XKRYSZRTSA-N 1 3 344.499 2.681 20 0 EFADHO COC[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000278862342 474878040 /nfs/dbraw/zinc/87/80/40/474878040.db2.gz RDURDCREJRVYIR-XKRYSZRTSA-N 1 3 344.499 2.681 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000292194590 474897141 /nfs/dbraw/zinc/89/71/41/474897141.db2.gz XVMJZBZDPJFJDR-OALUTQOASA-N 1 3 329.488 2.690 20 0 EFADHO COc1ccccc1N1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068878 474898733 /nfs/dbraw/zinc/89/87/33/474898733.db2.gz IIWFATBTIXHNDM-ROUUACIJSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068878 474898738 /nfs/dbraw/zinc/89/87/38/474898738.db2.gz IIWFATBTIXHNDM-ROUUACIJSA-N 1 3 329.488 2.880 20 0 EFADHO COc1ccccc1N1CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339068878 474898743 /nfs/dbraw/zinc/89/87/43/474898743.db2.gz IIWFATBTIXHNDM-ROUUACIJSA-N 1 3 329.488 2.880 20 0 EFADHO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)N1CCCC[C@H]1C ZINC000337328395 474901845 /nfs/dbraw/zinc/90/18/45/474901845.db2.gz DXKZOUSQGXQBBS-KZNAEPCWSA-N 1 3 336.524 2.519 20 0 EFADHO Oc1ccc2c(c1)[C@H]([NH2+]C1CCN([C@H]3CCC[C@@H]3O)CC1)CCC2 ZINC000285143755 474903977 /nfs/dbraw/zinc/90/39/77/474903977.db2.gz LZMXQWLEZSOGLI-AABGKKOBSA-N 1 3 330.472 2.737 20 0 EFADHO CCc1cc(OC)ccc1C[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000337332937 474906880 /nfs/dbraw/zinc/90/68/80/474906880.db2.gz ISUOKHRYCRMIMX-INIZCTEOSA-N 1 3 332.488 2.848 20 0 EFADHO CN(C)CCN(C)CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000623087936 480133743 /nfs/dbraw/zinc/13/37/43/480133743.db2.gz PKYXEWIXFKJDNN-UHFFFAOYSA-N 1 3 334.895 2.861 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000292230811 474915376 /nfs/dbraw/zinc/91/53/76/474915376.db2.gz MXZIYXSTNQVNHC-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292230811 474915382 /nfs/dbraw/zinc/91/53/82/474915382.db2.gz MXZIYXSTNQVNHC-IBGZPJMESA-N 1 3 331.504 2.747 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000337353185 474926615 /nfs/dbraw/zinc/92/66/15/474926615.db2.gz AWWIDVZRJHKVRA-FGTMMUONSA-N 1 3 338.540 2.813 20 0 EFADHO C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)N1CCCC[C@@H]1C ZINC000337353185 474926625 /nfs/dbraw/zinc/92/66/25/474926625.db2.gz AWWIDVZRJHKVRA-FGTMMUONSA-N 1 3 338.540 2.813 20 0 EFADHO CC1CCN(CCNC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000337353397 474930075 /nfs/dbraw/zinc/93/00/75/474930075.db2.gz BQMYDAIGOYWZQU-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CC1CCN(CCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000337353397 474930079 /nfs/dbraw/zinc/93/00/79/474930079.db2.gz BQMYDAIGOYWZQU-UHFFFAOYSA-N 1 3 346.519 2.540 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(Br)s2)CC1 ZINC000268405030 474962229 /nfs/dbraw/zinc/96/22/29/474962229.db2.gz FIFJMTQUPYWGKF-UHFFFAOYSA-N 1 3 347.322 2.836 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)cs2)CC1 ZINC000268408221 474962807 /nfs/dbraw/zinc/96/28/07/474962807.db2.gz GOSODFBRBYLTRZ-UHFFFAOYSA-N 1 3 347.322 2.836 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C)CC1 ZINC000341098153 474972419 /nfs/dbraw/zinc/97/24/19/474972419.db2.gz CQZWKPJCNMOZIL-DAWZGUTISA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NC1CCC(C)CC1 ZINC000341098153 474972425 /nfs/dbraw/zinc/97/24/25/474972425.db2.gz CQZWKPJCNMOZIL-DAWZGUTISA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](NC(=O)C1(N)CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261555838 474983124 /nfs/dbraw/zinc/98/31/24/474983124.db2.gz QCTLJWNQBAHWLE-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](NC(=O)C1(N)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261555838 474983130 /nfs/dbraw/zinc/98/31/30/474983130.db2.gz QCTLJWNQBAHWLE-AEFFLSMTSA-N 1 3 329.488 2.675 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261597656 474987210 /nfs/dbraw/zinc/98/72/10/474987210.db2.gz AEHNKHBSAHEIQN-MAUKXSAKSA-N 1 3 349.906 2.729 20 0 EFADHO COc1cc2c(cc1CN1CCC([C@H]3CCC[NH2+]3)CC1)O[C@@H](C)C2 ZINC000325454583 474989861 /nfs/dbraw/zinc/98/98/61/474989861.db2.gz YPIFONXMOBEBEM-KBXCAEBGSA-N 1 3 330.472 2.983 20 0 EFADHO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261607593 474992401 /nfs/dbraw/zinc/99/24/01/474992401.db2.gz AVGZWUGNOUPVSY-KXBFYZLASA-N 1 3 345.487 2.611 20 0 EFADHO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H](N)C3CCOCC3)cc2)C1 ZINC000261607593 474992404 /nfs/dbraw/zinc/99/24/04/474992404.db2.gz AVGZWUGNOUPVSY-KXBFYZLASA-N 1 3 345.487 2.611 20 0 EFADHO C[N@H+](CCCNC(=O)[C@H]1CNCc2ccccc21)C1CCCCC1 ZINC000325764961 474992738 /nfs/dbraw/zinc/99/27/38/474992738.db2.gz ZWIXEUJPAFHFDL-IBGZPJMESA-N 1 3 329.488 2.644 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@H]1CNCc2ccccc21)C1CCCCC1 ZINC000325764961 474992742 /nfs/dbraw/zinc/99/27/42/474992742.db2.gz ZWIXEUJPAFHFDL-IBGZPJMESA-N 1 3 329.488 2.644 20 0 EFADHO C[N@H+](CCCNC(=O)[C@@H]1CNCc2ccccc21)C1CCCCC1 ZINC000325764963 474993380 /nfs/dbraw/zinc/99/33/80/474993380.db2.gz ZWIXEUJPAFHFDL-LJQANCHMSA-N 1 3 329.488 2.644 20 0 EFADHO C[N@@H+](CCCNC(=O)[C@@H]1CNCc2ccccc21)C1CCCCC1 ZINC000325764963 474993388 /nfs/dbraw/zinc/99/33/88/474993388.db2.gz ZWIXEUJPAFHFDL-LJQANCHMSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261635320 475005263 /nfs/dbraw/zinc/00/52/63/475005263.db2.gz CDPUNKSCEBZTHY-KANFNMMFSA-N 1 3 329.488 2.531 20 0 EFADHO CCN(Cc1ccc(Cl)cc1-n1cncn1)[C@@H]1CCC[NH2+]CC1 ZINC000261644360 475008797 /nfs/dbraw/zinc/00/87/97/475008797.db2.gz AOQYRWJJORTGSH-MRXNPFEDSA-N 1 3 333.867 2.885 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000273688597 475012998 /nfs/dbraw/zinc/01/29/98/475012998.db2.gz HXEKASAONMWMOU-FXAWDEMLSA-N 1 3 339.487 2.792 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000273688597 475013004 /nfs/dbraw/zinc/01/30/04/475013004.db2.gz HXEKASAONMWMOU-FXAWDEMLSA-N 1 3 339.487 2.792 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000261663388 475014187 /nfs/dbraw/zinc/01/41/87/475014187.db2.gz GJIHJAUZRALDCK-AEFFLSMTSA-N 1 3 331.504 2.921 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@]3(CC)CCC[NH2+]3)c(C)c2)CC1 ZINC000327153726 475017945 /nfs/dbraw/zinc/01/79/45/475017945.db2.gz QDUCLGGEWYAPME-FQEVSTJZSA-N 1 3 344.503 2.608 20 0 EFADHO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1CCN(C)CC1 ZINC000268502738 475018583 /nfs/dbraw/zinc/01/85/83/475018583.db2.gz JMKDPMXFJSWDAP-UHFFFAOYSA-N 1 3 337.533 2.760 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000327937897 475024307 /nfs/dbraw/zinc/02/43/07/475024307.db2.gz HOOTZUNEKFHZFI-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3c2CCNC3)CC1 ZINC000327937897 475024317 /nfs/dbraw/zinc/02/43/17/475024317.db2.gz HOOTZUNEKFHZFI-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCC[C@H]1C ZINC000337447678 475027519 /nfs/dbraw/zinc/02/75/19/475027519.db2.gz CVAOCEJYPCLSJO-MOPGFXCFSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCC[C@H]1C ZINC000337447678 475027529 /nfs/dbraw/zinc/02/75/29/475027529.db2.gz CVAOCEJYPCLSJO-MOPGFXCFSA-N 1 3 325.541 2.540 20 0 EFADHO c1cc2c(cc1CCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)OCCO2 ZINC000261701951 475032185 /nfs/dbraw/zinc/03/21/85/475032185.db2.gz OWBGSUUOBDHMCW-OKZBNKHCSA-N 1 3 330.472 2.901 20 0 EFADHO c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)OCCO2 ZINC000261701951 475032196 /nfs/dbraw/zinc/03/21/96/475032196.db2.gz OWBGSUUOBDHMCW-OKZBNKHCSA-N 1 3 330.472 2.901 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C)CC(C)C ZINC000341304597 475039957 /nfs/dbraw/zinc/03/99/57/475039957.db2.gz VFKLETQOGIOPPX-SZMVWBNQSA-N 1 3 338.540 2.525 20 0 EFADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728046 475042438 /nfs/dbraw/zinc/04/24/38/475042438.db2.gz QVTZRODLKULBEK-OAHLLOKOSA-N 1 3 330.259 2.993 20 0 EFADHO C[C@]1(CN)CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728046 475042445 /nfs/dbraw/zinc/04/24/45/475042445.db2.gz QVTZRODLKULBEK-OAHLLOKOSA-N 1 3 330.259 2.993 20 0 EFADHO C[C@]1(CN)CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000261728046 475042453 /nfs/dbraw/zinc/04/24/53/475042453.db2.gz QVTZRODLKULBEK-OAHLLOKOSA-N 1 3 330.259 2.993 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261749461 475049612 /nfs/dbraw/zinc/04/96/12/475049612.db2.gz HDBXVBUKHLDUIM-OAHLLOKOSA-N 1 3 330.476 2.521 20 0 EFADHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261761995 475053585 /nfs/dbraw/zinc/05/35/85/475053585.db2.gz ODGJBCRJEJQLHF-APWZRJJASA-N 1 3 341.430 2.829 20 0 EFADHO Cc1nccn1-c1ccc([C@@H](C)NCCC[NH+]2CCC(O)CC2)cc1 ZINC000268888992 475053680 /nfs/dbraw/zinc/05/36/80/475053680.db2.gz ZLYLMXGIKFLEJC-MRXNPFEDSA-N 1 3 342.487 2.678 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CC[C@H](C)C1 ZINC000337479647 475055017 /nfs/dbraw/zinc/05/50/17/475055017.db2.gz UTVTVLMCABPSGM-RBUKOAKNSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CC[C@H](C)C1 ZINC000337479647 475055025 /nfs/dbraw/zinc/05/50/25/475055025.db2.gz UTVTVLMCABPSGM-RBUKOAKNSA-N 1 3 325.541 2.540 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000261795202 475065316 /nfs/dbraw/zinc/06/53/16/475065316.db2.gz ZKFUWIXKPDFGID-VQIMIIECSA-N 1 3 329.488 2.677 20 0 EFADHO C[C@@H]1CCN[C@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000261795199 475066081 /nfs/dbraw/zinc/06/60/81/475066081.db2.gz ZKFUWIXKPDFGID-APWZRJJASA-N 1 3 329.488 2.677 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000261813491 475073306 /nfs/dbraw/zinc/07/33/06/475073306.db2.gz HEORYSAPMJODFS-VQIMIIECSA-N 1 3 347.503 2.584 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000261872903 475091992 /nfs/dbraw/zinc/09/19/92/475091992.db2.gz XZKADMGJJZPYID-QRQLOZEOSA-N 1 3 347.503 2.569 20 0 EFADHO C[C@H](NCC1(O)CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000268955506 475093229 /nfs/dbraw/zinc/09/32/29/475093229.db2.gz DKRFMRUIHKAVAT-NSHDSACASA-N 1 3 332.366 2.534 20 0 EFADHO O=C(NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261886704 475100125 /nfs/dbraw/zinc/10/01/25/475100125.db2.gz BBJQTJFJANVEAI-RTBURBONSA-N 1 3 341.499 2.547 20 0 EFADHO COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000268974998 475105449 /nfs/dbraw/zinc/10/54/49/475105449.db2.gz BIPINCYCLBEVNK-KXBFYZLASA-N 1 3 330.472 2.773 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2CCN(C)[C@H](C)C2)[C@H]1c1ccccc1 ZINC000345337874 475108339 /nfs/dbraw/zinc/10/83/39/475108339.db2.gz REBINVNBQFQTLI-VBSBHUPXSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1ccccc1 ZINC000345337874 475108346 /nfs/dbraw/zinc/10/83/46/475108346.db2.gz REBINVNBQFQTLI-VBSBHUPXSA-N 1 3 331.504 2.521 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1ccccc1 ZINC000345337874 475108350 /nfs/dbraw/zinc/10/83/50/475108350.db2.gz REBINVNBQFQTLI-VBSBHUPXSA-N 1 3 331.504 2.521 20 0 EFADHO Cc1ccc(NC(=O)NC[C@H]2CCCN(C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000261922921 475114629 /nfs/dbraw/zinc/11/46/29/475114629.db2.gz KRSBCQIQHPNWLO-QZTJIDSGSA-N 1 3 344.503 2.828 20 0 EFADHO Cc1ccc([C@@H](O)CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000268996076 475118385 /nfs/dbraw/zinc/11/83/85/475118385.db2.gz NSAZAGPTTQWCKR-YJBOKZPZSA-N 1 3 332.444 2.913 20 0 EFADHO Cc1ccc([C@H](O)CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000268996074 475119279 /nfs/dbraw/zinc/11/92/79/475119279.db2.gz NSAZAGPTTQWCKR-MAUKXSAKSA-N 1 3 332.444 2.913 20 0 EFADHO CN1CCC(O)(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000269004346 475121642 /nfs/dbraw/zinc/12/16/42/475121642.db2.gz QAIKQHRUUGAQMY-HNNXBMFYSA-N 1 3 344.377 2.619 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)OCCO ZINC000287384086 475124990 /nfs/dbraw/zinc/12/49/90/475124990.db2.gz PRTGAZLYHNYISX-SLFFLAALSA-N 1 3 346.515 2.664 20 0 EFADHO O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(CC2CC[NH2+]CC2)C1 ZINC000261954191 475126493 /nfs/dbraw/zinc/12/64/93/475126493.db2.gz OLHRFZIONJBUBE-HZPDHXFCSA-N 1 3 328.378 2.813 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000269015853 475127156 /nfs/dbraw/zinc/12/71/56/475127156.db2.gz OJNYINAXKZXBTJ-GQIGUUNPSA-N 1 3 331.504 2.760 20 0 EFADHO C[NH2+]CCC1CCN(CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000262000344 475143956 /nfs/dbraw/zinc/14/39/56/475143956.db2.gz PFULNXXEAHQNIT-UHFFFAOYSA-N 1 3 331.504 2.745 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000287430640 475144343 /nfs/dbraw/zinc/14/43/43/475144343.db2.gz ZDSPLPDDWWPNIG-SWDXFRIISA-N 1 3 344.503 2.556 20 0 EFADHO CN(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000287430640 475144349 /nfs/dbraw/zinc/14/43/49/475144349.db2.gz ZDSPLPDDWWPNIG-SWDXFRIISA-N 1 3 344.503 2.556 20 0 EFADHO C[NH2+]CCC1CCN(CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000262007807 475144690 /nfs/dbraw/zinc/14/46/90/475144690.db2.gz SELNRSLGOMODOP-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339345719 475150092 /nfs/dbraw/zinc/15/00/92/475150092.db2.gz IUWRWWFGGMVCJZ-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc(CN(C)C)cc1 ZINC000339345719 475150102 /nfs/dbraw/zinc/15/01/02/475150102.db2.gz IUWRWWFGGMVCJZ-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO Cn1cc(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053875 475150963 /nfs/dbraw/zinc/15/09/63/475150963.db2.gz RQJCXXSXBYTMJX-NHCUHLMSSA-N 1 3 338.499 2.949 20 0 EFADHO Cn1cc(CC[N@H+]2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)cn1 ZINC000269053875 475150970 /nfs/dbraw/zinc/15/09/70/475150970.db2.gz RQJCXXSXBYTMJX-NHCUHLMSSA-N 1 3 338.499 2.949 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000339351098 475153829 /nfs/dbraw/zinc/15/38/29/475153829.db2.gz MHLNENPECYWAHP-IBGZPJMESA-N 1 3 346.519 2.855 20 0 EFADHO COc1cc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C)ccc1OCCO ZINC000341570265 475154968 /nfs/dbraw/zinc/15/49/68/475154968.db2.gz DYEXFQIWLHBCAU-NVXWUHKLSA-N 1 3 336.476 2.591 20 0 EFADHO COc1ccc2cc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)ccc2c1 ZINC000269064706 475156502 /nfs/dbraw/zinc/15/65/02/475156502.db2.gz VDEISCLMZFOSDH-HNNXBMFYSA-N 1 3 328.456 2.956 20 0 EFADHO O=C(NCCC[NH+]1CCCC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000339351506 475156462 /nfs/dbraw/zinc/15/64/62/475156462.db2.gz AOMMUNFBQPKHMK-IBGZPJMESA-N 1 3 344.503 2.609 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000341605446 475179885 /nfs/dbraw/zinc/17/98/85/475179885.db2.gz KCRGZLSUKQPPKD-JKSUJKDBSA-N 1 3 326.529 2.526 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2ccc(C3CC3)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128008 475180236 /nfs/dbraw/zinc/18/02/36/475180236.db2.gz CSCMIZJSRJWDRH-YLJYHZDGSA-N 1 3 341.499 2.644 20 0 EFADHO c1sc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1-c1ccccc1 ZINC000262167003 475189216 /nfs/dbraw/zinc/18/92/16/475189216.db2.gz UMWCZFHAOTYXQY-GOSISDBHSA-N 1 3 327.497 2.895 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262228568 475203552 /nfs/dbraw/zinc/20/35/52/475203552.db2.gz NPCMRQGDMKQENZ-AYOQOUSVSA-N 1 3 347.478 2.857 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262262506 475209192 /nfs/dbraw/zinc/20/91/92/475209192.db2.gz RHYMTWPOHVZQOW-XLIONFOSSA-N 1 3 341.499 2.644 20 0 EFADHO O=C(NC[C@H]1CCCN(Cc2cccc(C3CC3)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262262509 475209775 /nfs/dbraw/zinc/20/97/75/475209775.db2.gz RHYMTWPOHVZQOW-YLJYHZDGSA-N 1 3 341.499 2.644 20 0 EFADHO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262267115 475210160 /nfs/dbraw/zinc/21/01/60/475210160.db2.gz HKGJNOQWAFGMFS-QYZOEREBSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC000262288425 475215059 /nfs/dbraw/zinc/21/50/59/475215059.db2.gz GIIOXRDSHZROLP-IEBWSBKVSA-N 1 3 335.492 2.712 20 0 EFADHO O=C(N[C@H]1CCCN(CC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000262307171 475216736 /nfs/dbraw/zinc/21/67/36/475216736.db2.gz YJGBRPLRSVTEAD-KRWDZBQOSA-N 1 3 341.455 2.627 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339442110 475219593 /nfs/dbraw/zinc/21/95/93/475219593.db2.gz UZCFMXREPBADDV-FQEVSTJZSA-N 1 3 345.487 2.832 20 0 EFADHO CCOc1ccccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339442110 475219599 /nfs/dbraw/zinc/21/95/99/475219599.db2.gz UZCFMXREPBADDV-FQEVSTJZSA-N 1 3 345.487 2.832 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c2ccccc2)CC1 ZINC000262355233 475224197 /nfs/dbraw/zinc/22/41/97/475224197.db2.gz HXGRFZAODVWKGE-YSIASYRMSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)c1csc(CC[NH3+])n1)c1ccccc1 ZINC000262368774 475225376 /nfs/dbraw/zinc/22/53/76/475225376.db2.gz LRDUWTVGSMLVGU-ZDUSSCGKSA-N 1 3 346.500 2.504 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000262363431 475225954 /nfs/dbraw/zinc/22/59/54/475225954.db2.gz KRXONOXKCCFJNN-OAHLLOKOSA-N 1 3 345.409 2.814 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000262385080 475229991 /nfs/dbraw/zinc/22/99/91/475229991.db2.gz NMMZJGZUMLAWKT-WQZMEWCLSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CN1Cc1ccccc1 ZINC000262432084 475240041 /nfs/dbraw/zinc/24/00/41/475240041.db2.gz TYFUOZFVOBMLRL-MCNSAMFCSA-N 1 3 341.499 2.545 20 0 EFADHO CCN1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173261 475242050 /nfs/dbraw/zinc/24/20/50/475242050.db2.gz DKGVTTOMNQIYDV-FCEWJHQRSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@H+]1C[C@H](N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173261 475242055 /nfs/dbraw/zinc/24/20/55/475242055.db2.gz DKGVTTOMNQIYDV-FCEWJHQRSA-N 1 3 348.510 2.568 20 0 EFADHO CC[N@@H+]1C[C@H](N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)[C@@H](C)C1 ZINC000361173261 475242061 /nfs/dbraw/zinc/24/20/61/475242061.db2.gz DKGVTTOMNQIYDV-FCEWJHQRSA-N 1 3 348.510 2.568 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)s1 ZINC000361174418 475244108 /nfs/dbraw/zinc/24/41/08/475244108.db2.gz AUAVGSZBBGIIDR-VXGBXAGGSA-N 1 3 329.897 2.640 20 0 EFADHO Cc1cc(C)c([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000361174321 475244886 /nfs/dbraw/zinc/24/48/86/475244886.db2.gz WUVPXGLZMYZNLP-ZWKOTPCHSA-N 1 3 331.504 2.850 20 0 EFADHO Cc1cc(C)c([C@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000361174321 475244891 /nfs/dbraw/zinc/24/48/91/475244891.db2.gz WUVPXGLZMYZNLP-ZWKOTPCHSA-N 1 3 331.504 2.850 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]12 ZINC000262537500 475257425 /nfs/dbraw/zinc/25/74/25/475257425.db2.gz QOMXJQNADXNBCU-MISXGVKJSA-N 1 3 342.270 2.991 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)[C@H](C)O1 ZINC000296313769 475264985 /nfs/dbraw/zinc/26/49/85/475264985.db2.gz GRQNSABFDGVSRT-HBFSDRIKSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc(OCCN(C)C)c1 ZINC000361216605 475276666 /nfs/dbraw/zinc/27/66/66/475276666.db2.gz NGFSLYHHCQLMIO-KRWDZBQOSA-N 1 3 347.503 2.680 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000345578090 475279866 /nfs/dbraw/zinc/27/98/66/475279866.db2.gz FLEBTYVIYCSSQK-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000345578090 475279873 /nfs/dbraw/zinc/27/98/73/475279873.db2.gz FLEBTYVIYCSSQK-OAHLLOKOSA-N 1 3 343.471 2.956 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000361222380 475281643 /nfs/dbraw/zinc/28/16/43/475281643.db2.gz YYMAMJIXALLLOU-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO CCN(C)C(=O)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000361292383 475331815 /nfs/dbraw/zinc/33/18/15/475331815.db2.gz DECKULQWBYRCEZ-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO CCN(C)C(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000361292383 475331819 /nfs/dbraw/zinc/33/18/19/475331819.db2.gz DECKULQWBYRCEZ-OAQYLSRUSA-N 1 3 343.515 2.843 20 0 EFADHO Cc1c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)ccn1C(C)C ZINC000339548165 475294193 /nfs/dbraw/zinc/29/41/93/475294193.db2.gz YBDXMMVXYICHSH-UHFFFAOYSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000352447743 475305236 /nfs/dbraw/zinc/30/52/36/475305236.db2.gz OBFYPRVPERUGNX-WOJBJXKFSA-N 1 3 338.499 2.991 20 0 EFADHO Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000352447743 475305243 /nfs/dbraw/zinc/30/52/43/475305243.db2.gz OBFYPRVPERUGNX-WOJBJXKFSA-N 1 3 338.499 2.991 20 0 EFADHO C[C@H]1CN(C)CC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000358011321 475333392 /nfs/dbraw/zinc/33/33/92/475333392.db2.gz ZHHUYZMFDQEOTD-FPOVZHCZSA-N 1 3 344.547 2.519 20 0 EFADHO CC[N@H+](CCN1CCCOCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361281917 475323565 /nfs/dbraw/zinc/32/35/65/475323565.db2.gz QPSNJWOMKUUTNT-CTNGQTDRSA-N 1 3 345.531 2.866 20 0 EFADHO CC[N@@H+](CCN1CCCOCC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000361281917 475323571 /nfs/dbraw/zinc/32/35/71/475323571.db2.gz QPSNJWOMKUUTNT-CTNGQTDRSA-N 1 3 345.531 2.866 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000358002214 475324040 /nfs/dbraw/zinc/32/40/40/475324040.db2.gz JSGKFYRZTAYPNH-AOIWGVFYSA-N 1 3 346.519 2.677 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000358002214 475324046 /nfs/dbraw/zinc/32/40/46/475324046.db2.gz JSGKFYRZTAYPNH-AOIWGVFYSA-N 1 3 346.519 2.677 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000358008422 475330976 /nfs/dbraw/zinc/33/09/76/475330976.db2.gz VJWORLBYAHCFBO-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000358008422 475330983 /nfs/dbraw/zinc/33/09/83/475330983.db2.gz VJWORLBYAHCFBO-SJORKVTESA-N 1 3 326.529 2.526 20 0 EFADHO C[C@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1cc(F)cc(F)c1 ZINC000296480065 475335404 /nfs/dbraw/zinc/33/54/04/475335404.db2.gz PZQQGLVBOXZFAI-CQSZACIVSA-N 1 3 325.447 2.684 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000337802843 475335975 /nfs/dbraw/zinc/33/59/75/475335975.db2.gz IYKFELBXHRSZRO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC000337802843 475335982 /nfs/dbraw/zinc/33/59/82/475335982.db2.gz IYKFELBXHRSZRO-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCN(C)C[C@H]2C)C[C@@H](C)O1 ZINC000358028449 475345343 /nfs/dbraw/zinc/34/53/43/475345343.db2.gz XPDPSSPPSHWHRF-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000358028449 475345345 /nfs/dbraw/zinc/34/53/45/475345345.db2.gz XPDPSSPPSHWHRF-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000358028449 475345352 /nfs/dbraw/zinc/34/53/52/475345352.db2.gz XPDPSSPPSHWHRF-NEYJZJCJSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345684342 475363416 /nfs/dbraw/zinc/36/34/16/475363416.db2.gz DEERMLDRHMOHSJ-CJNGLKHVSA-N 1 3 339.430 2.660 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC(F)F ZINC000345684342 475363424 /nfs/dbraw/zinc/36/34/24/475363424.db2.gz DEERMLDRHMOHSJ-CJNGLKHVSA-N 1 3 339.430 2.660 20 0 EFADHO Cc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC000361341500 475369268 /nfs/dbraw/zinc/36/92/68/475369268.db2.gz PBGFJHACGCENBJ-KRWDZBQOSA-N 1 3 331.504 2.897 20 0 EFADHO CSc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358065499 475372621 /nfs/dbraw/zinc/37/26/21/475372621.db2.gz RUZHFUFNPMRRSQ-SJLPKXTDSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000358065499 475372630 /nfs/dbraw/zinc/37/26/30/475372630.db2.gz RUZHFUFNPMRRSQ-SJLPKXTDSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000358065499 475372637 /nfs/dbraw/zinc/37/26/37/475372637.db2.gz RUZHFUFNPMRRSQ-SJLPKXTDSA-N 1 3 333.545 2.866 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345695894 475374984 /nfs/dbraw/zinc/37/49/84/475374984.db2.gz QJNWSKKVBIQQBF-CJNGLKHVSA-N 1 3 339.430 2.517 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)CC(F)F)cc2)C1 ZINC000345695894 475374992 /nfs/dbraw/zinc/37/49/92/475374992.db2.gz QJNWSKKVBIQQBF-CJNGLKHVSA-N 1 3 339.430 2.517 20 0 EFADHO CCc1ccc([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361352303 475377966 /nfs/dbraw/zinc/37/79/66/475377966.db2.gz PFOYFJJUEXRTRN-INIZCTEOSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1cccc2c1CC[C@H]2NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361352526 475378650 /nfs/dbraw/zinc/37/86/50/475378650.db2.gz QBXHXCMHVFJOBW-LJQANCHMSA-N 1 3 329.488 2.515 20 0 EFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000361364853 475387532 /nfs/dbraw/zinc/38/75/32/475387532.db2.gz FZEGBMFYQWNYMB-AZUAARDMSA-N 1 3 333.520 2.597 20 0 EFADHO CN(C)Cc1cccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000345713898 475388547 /nfs/dbraw/zinc/38/85/47/475388547.db2.gz IHHOAGZAWOSSSN-UHFFFAOYSA-N 1 3 341.455 2.941 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000345725287 475397442 /nfs/dbraw/zinc/39/74/42/475397442.db2.gz KHLQXKHLCIRLED-LZLYRXPVSA-N 1 3 346.519 2.898 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358101715 475400141 /nfs/dbraw/zinc/40/01/41/475400141.db2.gz ZCPJAOGLIFRHAO-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000358101715 475400148 /nfs/dbraw/zinc/40/01/48/475400148.db2.gz ZCPJAOGLIFRHAO-HOTGVXAUSA-N 1 3 326.529 2.526 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(CCCCCF)CC1 ZINC000341904451 475400223 /nfs/dbraw/zinc/40/02/23/475400223.db2.gz JLOGPDVZSIONBW-UHFFFAOYSA-N 1 3 337.483 2.889 20 0 EFADHO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000348138604 475421388 /nfs/dbraw/zinc/42/13/88/475421388.db2.gz FYADVGOPSMZRDD-NUEKZKHPSA-N 1 3 330.394 2.800 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CCCN1C ZINC000345761393 475427986 /nfs/dbraw/zinc/42/79/86/475427986.db2.gz VSONPWDMONQWBG-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCN1C ZINC000345761393 475427999 /nfs/dbraw/zinc/42/79/99/475427999.db2.gz VSONPWDMONQWBG-SJLPKXTDSA-N 1 3 346.519 2.679 20 0 EFADHO CC[C@]1(C)CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354862214 475469381 /nfs/dbraw/zinc/46/93/81/475469381.db2.gz XBVOELURQVUDGA-AZUAARDMSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468735 475471921 /nfs/dbraw/zinc/47/19/21/475471921.db2.gz JAZHPMPLTXAQRN-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000361468735 475471928 /nfs/dbraw/zinc/47/19/28/475471928.db2.gz JAZHPMPLTXAQRN-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)C(F)(F)F ZINC000358188887 475474674 /nfs/dbraw/zinc/47/46/74/475474674.db2.gz SIZXABNLXJGOER-NSHDSACASA-N 1 3 344.381 2.749 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345818104 475479654 /nfs/dbraw/zinc/47/96/54/475479654.db2.gz PZDAOMGUDGIJDI-MRXNPFEDSA-N 1 3 338.455 2.851 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCN(CCN(C)C)CC1 ZINC000337984643 475483765 /nfs/dbraw/zinc/48/37/65/475483765.db2.gz DGKVJOYVCFOKFO-OAHLLOKOSA-N 1 3 339.474 2.902 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000361492823 475493248 /nfs/dbraw/zinc/49/32/48/475493248.db2.gz MLWVIFQORPKFKE-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000352653594 475495400 /nfs/dbraw/zinc/49/54/00/475495400.db2.gz VXXMIZXBIYEIES-SJLPKXTDSA-N 1 3 334.508 2.707 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)C(C)C ZINC000352653594 475495406 /nfs/dbraw/zinc/49/54/06/475495406.db2.gz VXXMIZXBIYEIES-SJLPKXTDSA-N 1 3 334.508 2.707 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@H]1C ZINC000348255246 475530080 /nfs/dbraw/zinc/53/00/80/475530080.db2.gz IFEGGBHJHURMMO-IAGOWNOFSA-N 1 3 345.487 2.607 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)N2CCOc3ccccc32)C[C@H]1C ZINC000348255246 475530089 /nfs/dbraw/zinc/53/00/89/475530089.db2.gz IFEGGBHJHURMMO-IAGOWNOFSA-N 1 3 345.487 2.607 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938114 475542243 /nfs/dbraw/zinc/54/22/43/475542243.db2.gz NCVAPIDOJQIZBG-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000354938114 475542250 /nfs/dbraw/zinc/54/22/50/475542250.db2.gz NCVAPIDOJQIZBG-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CN1CCC(N2CCC([NH2+]C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000348270366 475545830 /nfs/dbraw/zinc/54/58/30/475545830.db2.gz XTVQWGBTCQJCMX-NQIIRXRSSA-N 1 3 327.516 2.938 20 0 EFADHO C[C@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCCCCC2)CCCN1C ZINC000361563232 475549657 /nfs/dbraw/zinc/54/96/57/475549657.db2.gz JTPGNMFKZAUDPL-DLBZAZTESA-N 1 3 338.540 2.813 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@H]21 ZINC000342080653 475553373 /nfs/dbraw/zinc/55/33/73/475553373.db2.gz GUIZONOSFOGDNZ-CWRNSKLLSA-N 1 3 346.862 2.992 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)C(C)C)N(C)C ZINC000352711340 475553941 /nfs/dbraw/zinc/55/39/41/475553941.db2.gz AYQAXLCIHDECSU-WMZOPIPTSA-N 1 3 334.508 2.626 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C(C)C)N(C)C ZINC000352711340 475553948 /nfs/dbraw/zinc/55/39/48/475553948.db2.gz AYQAXLCIHDECSU-WMZOPIPTSA-N 1 3 334.508 2.626 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339851903 475559580 /nfs/dbraw/zinc/55/95/80/475559580.db2.gz YFEQIIQVMNDIOS-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000339851903 475559586 /nfs/dbraw/zinc/55/95/86/475559586.db2.gz YFEQIIQVMNDIOS-MJGOQNOKSA-N 1 3 346.519 2.681 20 0 EFADHO COC1(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)CCCCC1 ZINC000361582345 475567301 /nfs/dbraw/zinc/56/73/01/475567301.db2.gz IXPXIBDEQDZJJE-UHFFFAOYSA-N 1 3 337.552 2.685 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)N2CCCC[C@H]2C)CC1 ZINC000339859828 475567983 /nfs/dbraw/zinc/56/79/83/475567983.db2.gz KRKVUKILVYQKGN-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000346291980 475580991 /nfs/dbraw/zinc/58/09/91/475580991.db2.gz ROYPCZBEBCMXOF-ANQUJSFKSA-N 1 3 335.517 2.765 20 0 EFADHO Cn1nnc2cc(C[NH+]3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)ccc21 ZINC000348330667 475598527 /nfs/dbraw/zinc/59/85/27/475598527.db2.gz OAXIHVFCVHRFCE-RTBURBONSA-N 1 3 347.466 2.532 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000355018981 475602199 /nfs/dbraw/zinc/60/21/99/475602199.db2.gz PSKLIQORJLEIRA-GOSISDBHSA-N 1 3 337.483 2.883 20 0 EFADHO CCCN1CCC([NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000346503774 475618075 /nfs/dbraw/zinc/61/80/75/475618075.db2.gz WGWLVMBRACTVEB-OAHLLOKOSA-N 1 3 334.460 2.763 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342700662 475627251 /nfs/dbraw/zinc/62/72/51/475627251.db2.gz XXMMTMRLJWVAHL-BWPNAZKDSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000342691695 475627463 /nfs/dbraw/zinc/62/74/63/475627463.db2.gz IRELNKAUZRLLLD-QBYUYEEZSA-N 1 3 335.517 2.635 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000339944423 475630114 /nfs/dbraw/zinc/63/01/14/475630114.db2.gz NLMPGMKSNQZSGJ-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358379626 475631992 /nfs/dbraw/zinc/63/19/92/475631992.db2.gz KOBQKLJOVDTNTA-WMZOPIPTSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358379626 475631995 /nfs/dbraw/zinc/63/19/95/475631995.db2.gz KOBQKLJOVDTNTA-WMZOPIPTSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358379618 475632128 /nfs/dbraw/zinc/63/21/28/475632128.db2.gz KOBQKLJOVDTNTA-FUHWJXTLSA-N 1 3 334.508 2.529 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCNc2cccc(C)n2)[C@@H](C)C1 ZINC000358379618 475632136 /nfs/dbraw/zinc/63/21/36/475632136.db2.gz KOBQKLJOVDTNTA-FUHWJXTLSA-N 1 3 334.508 2.529 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342743943 475633902 /nfs/dbraw/zinc/63/39/02/475633902.db2.gz QMVXJYGYURDANY-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342743943 475633911 /nfs/dbraw/zinc/63/39/11/475633911.db2.gz QMVXJYGYURDANY-AOIWGVFYSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000342743945 475634373 /nfs/dbraw/zinc/63/43/73/475634373.db2.gz QMVXJYGYURDANY-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000342743945 475634381 /nfs/dbraw/zinc/63/43/81/475634381.db2.gz QMVXJYGYURDANY-ZHALLVOQSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC(=O)N[C@@H]3C3CC3)CC2)C1 ZINC000342812540 475641752 /nfs/dbraw/zinc/64/17/52/475641752.db2.gz LIUCYBAWLVJDFC-GVZBARQTSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)CC2)C1 ZINC000342812540 475641762 /nfs/dbraw/zinc/64/17/62/475641762.db2.gz LIUCYBAWLVJDFC-GVZBARQTSA-N 1 3 333.520 2.676 20 0 EFADHO Cc1ccc([C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C2CCCC2)o1 ZINC000342802173 475642603 /nfs/dbraw/zinc/64/26/03/475642603.db2.gz ITBQAEJLYAAYFO-PKOBYXMFSA-N 1 3 347.503 2.996 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@H]3CCC(=O)N[C@@H]3C3CC3)CC2)C1 ZINC000342812541 475642808 /nfs/dbraw/zinc/64/28/08/475642808.db2.gz LIUCYBAWLVJDFC-QBMUGXQSSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)CC2)C1 ZINC000342812541 475642816 /nfs/dbraw/zinc/64/28/16/475642816.db2.gz LIUCYBAWLVJDFC-QBMUGXQSSA-N 1 3 333.520 2.676 20 0 EFADHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000338170079 475647253 /nfs/dbraw/zinc/64/72/53/475647253.db2.gz KZDKXXQHIVZXNJ-KBXCAEBGSA-N 1 3 337.458 2.815 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358418745 475663819 /nfs/dbraw/zinc/66/38/19/475663819.db2.gz HLHJKAKOVWNQOT-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358418745 475663825 /nfs/dbraw/zinc/66/38/25/475663825.db2.gz HLHJKAKOVWNQOT-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)[C@H]1C ZINC000358428274 475670728 /nfs/dbraw/zinc/67/07/28/475670728.db2.gz DBMXUBHQMJUTKV-UMGGQSCQSA-N 1 3 345.531 2.690 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C ZINC000361747992 475717678 /nfs/dbraw/zinc/71/76/78/475717678.db2.gz FVJKCIURBBJGCL-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(CN(C)C)cc2)C[C@H]1C ZINC000361747992 475717686 /nfs/dbraw/zinc/71/76/86/475717686.db2.gz FVJKCIURBBJGCL-VQIMIIECSA-N 1 3 346.519 2.762 20 0 EFADHO CN(C(=O)CN1CCC2(C1)CC[NH2+]CC2)[C@@H]1CCCc2ccccc21 ZINC000358502459 475730712 /nfs/dbraw/zinc/73/07/12/475730712.db2.gz BUZMHUGOVMYKFJ-LJQANCHMSA-N 1 3 341.499 2.598 20 0 EFADHO C[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1Cl ZINC000358505481 475733235 /nfs/dbraw/zinc/73/32/35/475733235.db2.gz IMWPQKKCMALELF-AWEZNQCLSA-N 1 3 335.879 2.593 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@H]1C ZINC000361766831 475734348 /nfs/dbraw/zinc/73/43/48/475734348.db2.gz UVDBZBBAIKBDGV-MLHJIOFPSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)C[C@H]1C ZINC000361766831 475734354 /nfs/dbraw/zinc/73/43/54/475734354.db2.gz UVDBZBBAIKBDGV-MLHJIOFPSA-N 1 3 338.540 2.621 20 0 EFADHO O=C1[C@H](N2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Cl)c1 ZINC000358506435 475734402 /nfs/dbraw/zinc/73/44/02/475734402.db2.gz KCPAHDMFBGEGPG-MRXNPFEDSA-N 1 3 333.863 2.521 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000343064150 475734613 /nfs/dbraw/zinc/73/46/13/475734613.db2.gz XPNIDQZITZCEOX-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(CCN(C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343064150 475734621 /nfs/dbraw/zinc/73/46/21/475734621.db2.gz XPNIDQZITZCEOX-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000358509638 475736018 /nfs/dbraw/zinc/73/60/18/475736018.db2.gz QLZAEWPJZLHULG-CQSZACIVSA-N 1 3 335.879 2.593 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000353167000 475739081 /nfs/dbraw/zinc/73/90/81/475739081.db2.gz XTUSNUPLWRWSEZ-CTNGQTDRSA-N 1 3 345.531 2.811 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000353167000 475739088 /nfs/dbraw/zinc/73/90/88/475739088.db2.gz XTUSNUPLWRWSEZ-CTNGQTDRSA-N 1 3 345.531 2.811 20 0 EFADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358518939 475741284 /nfs/dbraw/zinc/74/12/84/475741284.db2.gz RWSHDDATZHYLPA-INIZCTEOSA-N 1 3 347.528 2.659 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358525419 475746619 /nfs/dbraw/zinc/74/66/19/475746619.db2.gz OELDOGLFVQRXII-ZIFCJYIRSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@H](CN(C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358525419 475746623 /nfs/dbraw/zinc/74/66/23/475746623.db2.gz OELDOGLFVQRXII-ZIFCJYIRSA-N 1 3 346.519 2.631 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000353186172 475754140 /nfs/dbraw/zinc/75/41/40/475754140.db2.gz QGMLZPPDZUEMNR-CRAIPNDOSA-N 1 3 333.476 2.719 20 0 EFADHO CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000353186172 475754150 /nfs/dbraw/zinc/75/41/50/475754150.db2.gz QGMLZPPDZUEMNR-CRAIPNDOSA-N 1 3 333.476 2.719 20 0 EFADHO C[NH2+]CCC1CCN(Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000346692659 475769115 /nfs/dbraw/zinc/76/91/15/475769115.db2.gz IEKFFSQWJLJTFK-UHFFFAOYSA-N 1 3 336.476 2.542 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353206716 475769636 /nfs/dbraw/zinc/76/96/36/475769636.db2.gz QMJCMYQECFOYPM-FPOVZHCZSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353206716 475769640 /nfs/dbraw/zinc/76/96/40/475769640.db2.gz QMJCMYQECFOYPM-FPOVZHCZSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353206717 475770213 /nfs/dbraw/zinc/77/02/13/475770213.db2.gz QMJCMYQECFOYPM-PZJWPPBQSA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353206717 475770221 /nfs/dbraw/zinc/77/02/21/475770221.db2.gz QMJCMYQECFOYPM-PZJWPPBQSA-N 1 3 343.515 2.875 20 0 EFADHO OC[C@]1(C[NH2+]C2CCN(c3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000297471314 475771093 /nfs/dbraw/zinc/77/10/93/475771093.db2.gz RDJQWHZVFPITRX-LEWJYISDSA-N 1 3 337.467 2.806 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000348637187 475792317 /nfs/dbraw/zinc/79/23/17/475792317.db2.gz RUSSYMZGIPDXCF-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000348637187 475792325 /nfs/dbraw/zinc/79/23/25/475792325.db2.gz RUSSYMZGIPDXCF-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CN(c1ccccc1CNCCOC(F)(F)F)C1CC[NH+](C)CC1 ZINC000353238068 475795116 /nfs/dbraw/zinc/79/51/16/475795116.db2.gz VAMUYGSPBKZZHV-UHFFFAOYSA-N 1 3 345.409 2.843 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)Cc1ccccc1 ZINC000348665349 475806244 /nfs/dbraw/zinc/80/62/44/475806244.db2.gz ZFAGBQNUCLKVOH-MOPGFXCFSA-N 1 3 333.520 2.642 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CCCCC1)Cc1ccccc1 ZINC000358615222 475810323 /nfs/dbraw/zinc/81/03/23/475810323.db2.gz JYMRBKDVWMAIHA-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO FC(F)COc1ncccc1CNC1CCN(c2cc[nH+]cc2)CC1 ZINC000297596598 475822505 /nfs/dbraw/zinc/82/25/05/475822505.db2.gz JRAQAHLYXIDEFD-UHFFFAOYSA-N 1 3 348.397 2.879 20 0 EFADHO CN(CC[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC000297615737 475830242 /nfs/dbraw/zinc/83/02/42/475830242.db2.gz KWNFZJUUVNQQRN-UHFFFAOYSA-N 1 3 342.462 2.911 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353295046 475844495 /nfs/dbraw/zinc/84/44/95/475844495.db2.gz LFGXCLPFJPZYFW-KRWDZBQOSA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H](NCC1(O)CC[NH+](C)CC1)c1ccccc1Br ZINC000361893925 475849051 /nfs/dbraw/zinc/84/90/51/475849051.db2.gz SOHOTISNWXXVLR-HNNXBMFYSA-N 1 3 341.293 2.947 20 0 EFADHO N[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)c2ccccc21 ZINC000333243628 475882202 /nfs/dbraw/zinc/88/22/02/475882202.db2.gz FIHZBDBNEVOKDP-RBUKOAKNSA-N 1 3 329.488 2.756 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)N(C)Cc1ccccc1 ZINC000343268663 475906522 /nfs/dbraw/zinc/90/65/22/475906522.db2.gz MCSMSXGQVRQXFD-CWJKEVGVSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@@H](C)O1 ZINC000346855744 475915696 /nfs/dbraw/zinc/91/56/96/475915696.db2.gz VKMBCQBYJCOSED-IAGOWNOFSA-N 1 3 343.515 2.976 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000346855745 475915749 /nfs/dbraw/zinc/91/57/49/475915749.db2.gz VKMBCQBYJCOSED-IRXDYDNUSA-N 1 3 343.515 2.976 20 0 EFADHO CC(C)CN1CCC[C@H](C[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340307899 475936427 /nfs/dbraw/zinc/93/64/27/475936427.db2.gz RTTNUJPJBNOZOM-LXPRWKDFSA-N 1 3 344.565 2.547 20 0 EFADHO CCN(C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000355443213 475943005 /nfs/dbraw/zinc/94/30/05/475943005.db2.gz WRXCBHIGZQUQTP-QGZVFWFLSA-N 1 3 346.519 2.901 20 0 EFADHO c1ccc(CN2C[C@@H]3CCCC[C@H]([NH2+]C[C@@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410402 475945539 /nfs/dbraw/zinc/94/55/39/475945539.db2.gz XGPUAQICBRHZNO-BQJUDKOJSA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410402 475945544 /nfs/dbraw/zinc/94/55/44/475945544.db2.gz XGPUAQICBRHZNO-BQJUDKOJSA-N 1 3 344.499 2.682 20 0 EFADHO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NC[C@@H]4COCCO4)[C@@H]3C2)cc1 ZINC000353410402 475945548 /nfs/dbraw/zinc/94/55/48/475945548.db2.gz XGPUAQICBRHZNO-BQJUDKOJSA-N 1 3 344.499 2.682 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343323679 475950281 /nfs/dbraw/zinc/95/02/81/475950281.db2.gz VFICRECTUMTHMD-NRSPTQNISA-N 1 3 349.563 2.826 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343323679 475950290 /nfs/dbraw/zinc/95/02/90/475950290.db2.gz VFICRECTUMTHMD-NRSPTQNISA-N 1 3 349.563 2.826 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)N2CCCC2)cc1 ZINC000338498748 475957180 /nfs/dbraw/zinc/95/71/80/475957180.db2.gz WYIQRQPCYPIRMI-HKUYNNGSSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCSCC2)CC[N@@H+]1Cc1ccccc1 ZINC000358819573 475964364 /nfs/dbraw/zinc/96/43/64/475964364.db2.gz FOOAYNMTORDLJJ-MJGOQNOKSA-N 1 3 333.545 2.678 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCSCC2)CC[N@H+]1Cc1ccccc1 ZINC000358819573 475964373 /nfs/dbraw/zinc/96/43/73/475964373.db2.gz FOOAYNMTORDLJJ-MJGOQNOKSA-N 1 3 333.545 2.678 20 0 EFADHO c1csc(N2CCC([NH2+]C3CCN(c4ccncc4)CC3)CC2)n1 ZINC000298056084 475968458 /nfs/dbraw/zinc/96/84/58/475968458.db2.gz JMFWGGJCGABGDC-UHFFFAOYSA-N 1 3 343.500 2.766 20 0 EFADHO C[N@H+](CCc1cccc(NC(=O)C23CCCN2CCC3)c1)C1CC1 ZINC000355476173 475970666 /nfs/dbraw/zinc/97/06/66/475970666.db2.gz XOFBXEXUMNCBMP-UHFFFAOYSA-N 1 3 327.472 2.890 20 0 EFADHO C[N@@H+](CCc1cccc(NC(=O)C23CCCN2CCC3)c1)C1CC1 ZINC000355476173 475970671 /nfs/dbraw/zinc/97/06/71/475970671.db2.gz XOFBXEXUMNCBMP-UHFFFAOYSA-N 1 3 327.472 2.890 20 0 EFADHO Cc1ccc([C@H]([NH2+]CCCN2CCC[C@H](C(N)=O)C2)C2CCC2)o1 ZINC000349456118 475973387 /nfs/dbraw/zinc/97/33/87/475973387.db2.gz RMQFZFLYRPWNEV-FUHWJXTLSA-N 1 3 333.476 2.606 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000353446500 475975085 /nfs/dbraw/zinc/97/50/85/475975085.db2.gz JYDXJJJNHFGINH-AHRSYUTCSA-N 1 3 343.515 2.962 20 0 EFADHO C[C@@H]1CN(CCC[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)CCCO1 ZINC000340371156 475986547 /nfs/dbraw/zinc/98/65/47/475986547.db2.gz PUXZCOQHCPUBIA-GIVPXCGWSA-N 1 3 345.531 2.912 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000353458912 475987542 /nfs/dbraw/zinc/98/75/42/475987542.db2.gz KTRCAPRVOSKTJH-MSOLQXFVSA-N 1 3 349.544 2.710 20 0 EFADHO [NH3+]Cc1cn([C@H]2CCCN([C@H]3CCc4c3cccc4Cl)C2)nn1 ZINC000333649291 475991138 /nfs/dbraw/zinc/99/11/38/475991138.db2.gz JODIMWWXGSZXQS-GUYCJALGSA-N 1 3 331.851 2.715 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000353467094 475994320 /nfs/dbraw/zinc/99/43/20/475994320.db2.gz KSQLHISFEAUBEI-WNHJNPCNSA-N 1 3 329.488 2.572 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467075 475994800 /nfs/dbraw/zinc/99/48/00/475994800.db2.gz KRCYLCDTVNZBHW-DOMZBBRYSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(N)C(F)(F)F)cc1 ZINC000353467075 475994806 /nfs/dbraw/zinc/99/48/06/475994806.db2.gz KRCYLCDTVNZBHW-DOMZBBRYSA-N 1 3 343.393 2.567 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338539148 475994959 /nfs/dbraw/zinc/99/49/59/475994959.db2.gz FZPRSAUHFKDUHD-UHFFFAOYSA-N 1 3 331.504 2.942 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137162 475995359 /nfs/dbraw/zinc/99/53/59/475995359.db2.gz BVPYYJHRIUMBAD-ZWKOTPCHSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)N(C)C ZINC000298137162 475995367 /nfs/dbraw/zinc/99/53/67/475995367.db2.gz BVPYYJHRIUMBAD-ZWKOTPCHSA-N 1 3 331.504 2.744 20 0 EFADHO NC[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000358865542 475998009 /nfs/dbraw/zinc/99/80/09/475998009.db2.gz MUBUKJAZIDPRAA-GOSISDBHSA-N 1 3 335.467 2.640 20 0 EFADHO O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353476814 476004023 /nfs/dbraw/zinc/00/40/23/476004023.db2.gz ZJIXIUGNESEOCV-XUVXKRRUSA-N 1 3 341.499 2.575 20 0 EFADHO CC(C)[NH+]1CCC(N(C)CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000298162731 476004233 /nfs/dbraw/zinc/00/42/33/476004233.db2.gz JOKXTKAPBWKVJX-UHFFFAOYSA-N 1 3 346.475 2.529 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000355526839 476008059 /nfs/dbraw/zinc/00/80/59/476008059.db2.gz LWFBIFJFLLICSS-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2CCN(C)C2)n1 ZINC000349947562 476023420 /nfs/dbraw/zinc/02/34/20/476023420.db2.gz LJHIYKLUICEQOS-OAHLLOKOSA-N 1 3 344.459 2.876 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H](n2cncn2)C1 ZINC000333769428 476023973 /nfs/dbraw/zinc/02/39/73/476023973.db2.gz BVIVZGDTXKJXRL-QVCIDLTOSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H](n2cncn2)C1 ZINC000333769428 476023978 /nfs/dbraw/zinc/02/39/78/476023978.db2.gz BVIVZGDTXKJXRL-QVCIDLTOSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)[C@H](n2cncn2)C1 ZINC000333769426 476024874 /nfs/dbraw/zinc/02/48/74/476024874.db2.gz BVIVZGDTXKJXRL-JQGIXOOLSA-N 1 3 343.519 2.751 20 0 EFADHO C[C@@H]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H](n2cncn2)C1 ZINC000333769426 476024881 /nfs/dbraw/zinc/02/48/81/476024881.db2.gz BVIVZGDTXKJXRL-JQGIXOOLSA-N 1 3 343.519 2.751 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2(N)C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794885 476030683 /nfs/dbraw/zinc/03/06/83/476030683.db2.gz GULACJFYIFEGHR-XNXRKOFCSA-N 1 3 348.531 2.704 20 0 EFADHO CCO[C@@H]1C[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C12CCOCC2 ZINC000333794885 476030687 /nfs/dbraw/zinc/03/06/87/476030687.db2.gz GULACJFYIFEGHR-XNXRKOFCSA-N 1 3 348.531 2.704 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600452 476042695 /nfs/dbraw/zinc/04/26/95/476042695.db2.gz VYSAGKNSSAVZQI-QGZVFWFLSA-N 1 3 325.460 2.716 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600452 476042698 /nfs/dbraw/zinc/04/26/98/476042698.db2.gz VYSAGKNSSAVZQI-QGZVFWFLSA-N 1 3 325.460 2.716 20 0 EFADHO CC(C)N1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000350098337 476047461 /nfs/dbraw/zinc/04/74/61/476047461.db2.gz LNYYNQVMKADPIM-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000343421591 476050762 /nfs/dbraw/zinc/05/07/62/476050762.db2.gz DGNQJOZMLHASDR-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000343421591 476050771 /nfs/dbraw/zinc/05/07/71/476050771.db2.gz DGNQJOZMLHASDR-PMACEKPBSA-N 1 3 343.515 2.542 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1ccccc1F ZINC000347038752 476053841 /nfs/dbraw/zinc/05/38/41/476053841.db2.gz LDIUUQUPZOHYBR-HNNXBMFYSA-N 1 3 337.483 2.883 20 0 EFADHO c1c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)onc1-c1ccccc1 ZINC000333896915 476057744 /nfs/dbraw/zinc/05/77/44/476057744.db2.gz YKHKHYGIFWRUKK-MJGOQNOKSA-N 1 3 339.439 2.542 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000350129679 476061553 /nfs/dbraw/zinc/06/15/53/476061553.db2.gz UABBXZZEJDDPFO-WMLDXEAASA-N 1 3 348.491 2.635 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2CCC(C[NH+](C)C)CC2)cc1 ZINC000350143775 476066847 /nfs/dbraw/zinc/06/68/47/476066847.db2.gz AYSSWNDSPJQOCP-UHFFFAOYSA-N 1 3 328.460 2.859 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)[C@H]1SC ZINC000298366554 476069053 /nfs/dbraw/zinc/06/90/53/476069053.db2.gz KKGAOFIOMKNDKZ-RCCFBDPRSA-N 1 3 338.517 2.626 20 0 EFADHO Cc1ccc([C@H](CNC2CC[NH+](C3CC3)CC2)N2CCOCC2)cc1 ZINC000298376506 476073633 /nfs/dbraw/zinc/07/36/33/476073633.db2.gz KZMJRBYEMJLGRM-NRFANRHFSA-N 1 3 343.515 2.585 20 0 EFADHO C[C@H](CN(C)C)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000350165028 476076670 /nfs/dbraw/zinc/07/66/70/476076670.db2.gz YHHIHRZOOIHBKN-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO Cn1nnc2cc(C[N@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000353592111 476107809 /nfs/dbraw/zinc/10/78/09/476107809.db2.gz OZOKBGYPDBSPOZ-LJQANCHMSA-N 1 3 349.482 2.922 20 0 EFADHO Cn1nnc2cc(C[N@@H+](C)C[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000353592111 476107812 /nfs/dbraw/zinc/10/78/12/476107812.db2.gz OZOKBGYPDBSPOZ-LJQANCHMSA-N 1 3 349.482 2.922 20 0 EFADHO CN(C)c1ncc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000350262790 476112842 /nfs/dbraw/zinc/11/28/42/476112842.db2.gz INHUFKUYFSRXHI-UHFFFAOYSA-N 1 3 345.516 2.953 20 0 EFADHO O[C@H]1C[C@H](CNc2ccnc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000340574793 476115478 /nfs/dbraw/zinc/11/54/78/476115478.db2.gz SQKXTDRXMJYOHE-MSOLQXFVSA-N 1 3 333.435 2.704 20 0 EFADHO O[C@H]1C[C@H](CNc2ccnc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000340574793 476115484 /nfs/dbraw/zinc/11/54/84/476115484.db2.gz SQKXTDRXMJYOHE-MSOLQXFVSA-N 1 3 333.435 2.704 20 0 EFADHO O[C@@H]1C[C@H](CNc2ccnc3ccccc32)[N@H+](Cc2ccccc2)C1 ZINC000340574797 476115591 /nfs/dbraw/zinc/11/55/91/476115591.db2.gz SQKXTDRXMJYOHE-QZTJIDSGSA-N 1 3 333.435 2.704 20 0 EFADHO O[C@@H]1C[C@H](CNc2ccnc3ccccc32)[N@@H+](Cc2ccccc2)C1 ZINC000340574797 476115595 /nfs/dbraw/zinc/11/55/95/476115595.db2.gz SQKXTDRXMJYOHE-QZTJIDSGSA-N 1 3 333.435 2.704 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2csc(C)n2)[C@@H](C)C1 ZINC000347143255 476124597 /nfs/dbraw/zinc/12/45/97/476124597.db2.gz JANSYRLVXOLVST-WMLDXEAASA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2csc(C)n2)[C@@H](C)C1 ZINC000347143255 476124607 /nfs/dbraw/zinc/12/46/07/476124607.db2.gz JANSYRLVXOLVST-WMLDXEAASA-N 1 3 325.522 2.721 20 0 EFADHO C[C@](O)(C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000336673975 476124609 /nfs/dbraw/zinc/12/46/09/476124609.db2.gz BUNFLIYARHGWJS-BBWFWOEESA-N 1 3 342.405 2.754 20 0 EFADHO C[C@](O)(C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000336673975 476124613 /nfs/dbraw/zinc/12/46/13/476124613.db2.gz BUNFLIYARHGWJS-BBWFWOEESA-N 1 3 342.405 2.754 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336723194 476127458 /nfs/dbraw/zinc/12/74/58/476127458.db2.gz UBSCEAJTYXAEQG-YZGWKJHDSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336723194 476127460 /nfs/dbraw/zinc/12/74/60/476127460.db2.gz UBSCEAJTYXAEQG-YZGWKJHDSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)COC[C@H](O)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723194 476127464 /nfs/dbraw/zinc/12/74/64/476127464.db2.gz UBSCEAJTYXAEQG-YZGWKJHDSA-N 1 3 334.504 2.520 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336788945 476130916 /nfs/dbraw/zinc/13/09/16/476130916.db2.gz HYDKJEBANGRXPF-SFTDATJTSA-N 1 3 338.499 2.954 20 0 EFADHO Cc1cc(C)n(CCN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000336788945 476130923 /nfs/dbraw/zinc/13/09/23/476130923.db2.gz HYDKJEBANGRXPF-SFTDATJTSA-N 1 3 338.499 2.954 20 0 EFADHO CC[NH2+]CC1CCN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000347163298 476140199 /nfs/dbraw/zinc/14/01/99/476140199.db2.gz IPPWRRVXILOMEX-UHFFFAOYSA-N 1 3 342.443 2.627 20 0 EFADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000356910769 476144785 /nfs/dbraw/zinc/14/47/85/476144785.db2.gz YXMUSECDORVICE-YRPNKDGESA-N 1 3 336.483 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749922 476155008 /nfs/dbraw/zinc/15/50/08/476155008.db2.gz NXAQOBJRJUQOTO-JTDSTZFVSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749922 476155013 /nfs/dbraw/zinc/15/50/13/476155013.db2.gz NXAQOBJRJUQOTO-JTDSTZFVSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H](CO)N(CCC[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204054 476170612 /nfs/dbraw/zinc/17/06/12/476170612.db2.gz GUNSIMWTQWQUAC-IRXDYDNUSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@@H](CO)N(CCC[N@@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204054 476170619 /nfs/dbraw/zinc/17/06/19/476170619.db2.gz GUNSIMWTQWQUAC-IRXDYDNUSA-N 1 3 326.525 2.627 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H](C1CC1)N1CCCC1 ZINC000353673191 476175631 /nfs/dbraw/zinc/17/56/31/476175631.db2.gz BMEFGGUPJSAWOY-LJQANCHMSA-N 1 3 333.520 2.632 20 0 EFADHO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000338789582 476187675 /nfs/dbraw/zinc/18/76/75/476187675.db2.gz MIMRKIHJQHTJGY-HCXYKTFWSA-N 1 3 341.499 2.544 20 0 EFADHO CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 ZINC000353690450 476191820 /nfs/dbraw/zinc/19/18/20/476191820.db2.gz DIBLLEPQASNVNF-VQIMIIECSA-N 1 3 346.519 2.851 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@@H](Cc3ccccc3)[C@H]2C)CC1 ZINC000350458107 476191995 /nfs/dbraw/zinc/19/19/95/476191995.db2.gz NOTMAVBQHOFKDV-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCN1C ZINC000344265056 476200127 /nfs/dbraw/zinc/20/01/27/476200127.db2.gz YVFAYEBCRUPMFC-LPHOPBHVSA-N 1 3 344.503 2.564 20 0 EFADHO CN1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000338810537 476206899 /nfs/dbraw/zinc/20/68/99/476206899.db2.gz OCXUSYSOLIOQKX-QGZVFWFLSA-N 1 3 336.524 2.569 20 0 EFADHO CC[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340694726 476211668 /nfs/dbraw/zinc/21/16/68/476211668.db2.gz HTBVZHVEHIZYKW-LJQANCHMSA-N 1 3 329.488 2.773 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)NCCN1CCC[C@@H](C)C1)CC(C)C ZINC000302932705 476211935 /nfs/dbraw/zinc/21/19/35/476211935.db2.gz HJCLMAUFMUXMLG-MSOLQXFVSA-N 1 3 340.556 2.774 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083232 476217059 /nfs/dbraw/zinc/21/70/59/476217059.db2.gz ORTXZSAHSNZURP-HDMKZQKVSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000303060078 476217840 /nfs/dbraw/zinc/21/78/40/476217840.db2.gz LNTLUJOZZBORTB-KRWDZBQOSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303060614 476218004 /nfs/dbraw/zinc/21/80/04/476218004.db2.gz LTTLBROMRKPFJW-KSZLIROESA-N 1 3 338.540 2.526 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)N1CCC(C)CC1 ZINC000303060614 476218013 /nfs/dbraw/zinc/21/80/13/476218013.db2.gz LTTLBROMRKPFJW-KSZLIROESA-N 1 3 338.540 2.526 20 0 EFADHO [NH3+]CCOCCN1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000357086264 476219760 /nfs/dbraw/zinc/21/97/60/476219760.db2.gz UMDYMTHZHXORNA-UHFFFAOYSA-N 1 3 347.286 2.950 20 0 EFADHO C[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccsc1 ZINC000347270992 476220340 /nfs/dbraw/zinc/22/03/40/476220340.db2.gz PGCGQJSKRYWIAH-QAPCUYQASA-N 1 3 345.512 2.688 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000353729588 476223098 /nfs/dbraw/zinc/22/30/98/476223098.db2.gz MJWYTXZDTZOTRP-IBGZPJMESA-N 1 3 343.515 2.875 20 0 EFADHO CC(C)C[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353729588 476223105 /nfs/dbraw/zinc/22/31/05/476223105.db2.gz MJWYTXZDTZOTRP-IBGZPJMESA-N 1 3 343.515 2.875 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C ZINC000353731205 476225031 /nfs/dbraw/zinc/22/50/31/476225031.db2.gz YYYNAISPEPZYPF-DFEOGRTESA-N 1 3 346.519 2.768 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)N(C)C ZINC000353731205 476225037 /nfs/dbraw/zinc/22/50/37/476225037.db2.gz YYYNAISPEPZYPF-DFEOGRTESA-N 1 3 346.519 2.768 20 0 EFADHO C[C@@H]1CCCCN1CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000359442181 476233994 /nfs/dbraw/zinc/23/39/94/476233994.db2.gz ROHZXRXFJTUADG-GOSISDBHSA-N 1 3 330.520 2.900 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000303459315 476235925 /nfs/dbraw/zinc/23/59/25/476235925.db2.gz KYEJDZGQLMNLFU-ZWKOTPCHSA-N 1 3 346.519 2.681 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000303452931 476236726 /nfs/dbraw/zinc/23/67/26/476236726.db2.gz JBJAMGOHQYWBKJ-QZTJIDSGSA-N 1 3 340.556 2.917 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)CC1 ZINC000362433178 476243628 /nfs/dbraw/zinc/24/36/28/476243628.db2.gz DLAFQAUJWOKTRF-RTBURBONSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000344315726 476244563 /nfs/dbraw/zinc/24/45/63/476244563.db2.gz MRVJDVUHWXKDKS-IRXDYDNUSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360006347 476281389 /nfs/dbraw/zinc/28/13/89/476281389.db2.gz JQJBNLVZBTWNDI-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360006347 476281394 /nfs/dbraw/zinc/28/13/94/476281394.db2.gz JQJBNLVZBTWNDI-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000357275618 476311917 /nfs/dbraw/zinc/31/19/17/476311917.db2.gz PKNVKHZZURRWRW-WZGPROSRSA-N 1 3 344.503 2.556 20 0 EFADHO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[C@H](c1ccccc1)N(C)C ZINC000357275618 476311918 /nfs/dbraw/zinc/31/19/18/476311918.db2.gz PKNVKHZZURRWRW-WZGPROSRSA-N 1 3 344.503 2.556 20 0 EFADHO CCN(CC)C(=O)[C@@H](c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000350947362 476317576 /nfs/dbraw/zinc/31/75/76/476317576.db2.gz FMXIQFKIXWFROO-LJQANCHMSA-N 1 3 331.504 2.870 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000357306709 476324365 /nfs/dbraw/zinc/32/43/65/476324365.db2.gz NJMLOWNMFGIJJE-APWZRJJASA-N 1 3 347.503 2.679 20 0 EFADHO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000353926800 476326912 /nfs/dbraw/zinc/32/69/12/476326912.db2.gz GZQIILZJIPMATR-TZIWHRDSSA-N 1 3 346.515 2.938 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@@H]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000360693745 476344043 /nfs/dbraw/zinc/34/40/43/476344043.db2.gz ZEBZLMZTWNMKMT-DYESRHJHSA-N 1 3 345.531 2.837 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000357357873 476344779 /nfs/dbraw/zinc/34/47/79/476344779.db2.gz XGUXJYAZVXJLDR-JZXOWHBKSA-N 1 3 331.504 2.932 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1F)[C@H]1CCC[NH2+]C1 ZINC000357363052 476346099 /nfs/dbraw/zinc/34/60/99/476346099.db2.gz NHZMOYAYISPLCR-IRXDYDNUSA-N 1 3 349.494 2.742 20 0 EFADHO O=C(CN1CCC[C@H]1C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000363385049 476357648 /nfs/dbraw/zinc/35/76/48/476357648.db2.gz SYAQJHBKDDLBEE-FQEVSTJZSA-N 1 3 341.499 2.773 20 0 EFADHO Cc1n[nH]c(C)c1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000354010434 476361709 /nfs/dbraw/zinc/36/17/09/476361709.db2.gz QHPSPHJQJLPNBE-UHFFFAOYSA-N 1 3 347.551 2.655 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000373020184 476371053 /nfs/dbraw/zinc/37/10/53/476371053.db2.gz PIWCIXSESQCPTA-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000373020184 476371058 /nfs/dbraw/zinc/37/10/58/476371058.db2.gz PIWCIXSESQCPTA-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000354033132 476379004 /nfs/dbraw/zinc/37/90/04/476379004.db2.gz IPMLHPAELZSGLN-UHFFFAOYSA-N 1 3 344.503 2.966 20 0 EFADHO CC[NH+](CC)CCOC1CCN(Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000354044203 476388239 /nfs/dbraw/zinc/38/82/39/476388239.db2.gz GUCFRUZQTFRFIN-UHFFFAOYSA-N 1 3 345.491 2.589 20 0 EFADHO CN(Cc1csc(C2CC2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481275 476404136 /nfs/dbraw/zinc/40/41/36/476404136.db2.gz RDZLTPIGCOTQSW-KRWDZBQOSA-N 1 3 334.533 2.621 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2c(C)nc3ccccn32)C1 ZINC000354078580 476411107 /nfs/dbraw/zinc/41/11/07/476411107.db2.gz UVPMODRNMIENSA-QGZVFWFLSA-N 1 3 330.476 2.575 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1)C1CC1 ZINC000354093183 476419874 /nfs/dbraw/zinc/41/98/74/476419874.db2.gz QCSZXFQZTHFTEH-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)CCN(C)C2CC2)cc1)C1CC1 ZINC000354093183 476419880 /nfs/dbraw/zinc/41/98/80/476419880.db2.gz QCSZXFQZTHFTEH-UHFFFAOYSA-N 1 3 329.488 2.837 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)ccc1OCCN1CCCC1 ZINC000362810238 476420302 /nfs/dbraw/zinc/42/03/02/476420302.db2.gz XMLMZBUIKNYDIB-WMZOPIPTSA-N 1 3 345.487 2.606 20 0 EFADHO Cc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCCN1CCCC1 ZINC000362810238 476420308 /nfs/dbraw/zinc/42/03/08/476420308.db2.gz XMLMZBUIKNYDIB-WMZOPIPTSA-N 1 3 345.487 2.606 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000373941146 476443003 /nfs/dbraw/zinc/44/30/03/476443003.db2.gz CISZGRBZZBULSF-BHYGNILZSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000373941146 476443006 /nfs/dbraw/zinc/44/30/06/476443006.db2.gz CISZGRBZZBULSF-BHYGNILZSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373941067 476443577 /nfs/dbraw/zinc/44/35/77/476443577.db2.gz AANNOHDXMXUBIW-ARFHVFGLSA-N 1 3 331.460 2.629 20 0 EFADHO COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373941067 476443584 /nfs/dbraw/zinc/44/35/84/476443584.db2.gz AANNOHDXMXUBIW-ARFHVFGLSA-N 1 3 331.460 2.629 20 0 EFADHO C[NH+]1CCC2(CCCN(CCOCC(F)(F)C(F)F)C2)CC1 ZINC000374074554 476452415 /nfs/dbraw/zinc/45/24/15/476452415.db2.gz LLYFKEQQUNLMJO-UHFFFAOYSA-N 1 3 326.378 2.711 20 0 EFADHO C[NH+](C)CCCOc1cnccc1CNC1CCC2(CCCO2)CC1 ZINC000377566885 476455456 /nfs/dbraw/zinc/45/54/56/476455456.db2.gz VXFBMQFYVOEDKZ-UHFFFAOYSA-N 1 3 347.503 2.994 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000354145351 476458877 /nfs/dbraw/zinc/45/88/77/476458877.db2.gz BGHIUTYDRVGJCU-AWEZNQCLSA-N 1 3 333.867 2.742 20 0 EFADHO CN(Cc1cc(F)c(F)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377617927 476477820 /nfs/dbraw/zinc/47/78/20/476477820.db2.gz AZASSWDHYMIKMP-HNNXBMFYSA-N 1 3 341.421 2.704 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000354179040 476484204 /nfs/dbraw/zinc/48/42/04/476484204.db2.gz YXGLAJGMAJKOHP-IEBWSBKVSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000351701733 476493237 /nfs/dbraw/zinc/49/32/37/476493237.db2.gz XXPCDVVWVLHFOT-OAHLLOKOSA-N 1 3 338.540 2.621 20 0 EFADHO CCN1CC[C@H]([N@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354223925 476515976 /nfs/dbraw/zinc/51/59/76/476515976.db2.gz LTNKEPCTZHWWBY-WBVHZDCISA-N 1 3 334.460 2.657 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)CCOc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354223925 476515980 /nfs/dbraw/zinc/51/59/80/476515980.db2.gz LTNKEPCTZHWWBY-WBVHZDCISA-N 1 3 334.460 2.657 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n(C)c1C ZINC000360983939 476525172 /nfs/dbraw/zinc/52/51/72/476525172.db2.gz BXBSSBITXLFPHT-IYBDPMFKSA-N 1 3 349.519 2.968 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n(C)c1C ZINC000360983939 476525178 /nfs/dbraw/zinc/52/51/78/476525178.db2.gz BXBSSBITXLFPHT-IYBDPMFKSA-N 1 3 349.519 2.968 20 0 EFADHO COC[C@]1(C[NH2+]C2CCN(C(C)(C)C)CC2)OCCc2ccccc21 ZINC000377748921 476559983 /nfs/dbraw/zinc/55/99/83/476559983.db2.gz IYPPWGRWSYXRQK-NRFANRHFSA-N 1 3 346.515 2.954 20 0 EFADHO CN(Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1)[C@@H]1CCCOC1 ZINC000352219277 476560593 /nfs/dbraw/zinc/56/05/93/476560593.db2.gz CPHIVUAFNYQSSZ-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1)[C@@H]1CCCOC1 ZINC000352219277 476560602 /nfs/dbraw/zinc/56/06/02/476560602.db2.gz CPHIVUAFNYQSSZ-WOJBJXKFSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2CC[N@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000377757930 476564470 /nfs/dbraw/zinc/56/44/70/476564470.db2.gz GUFXVFXUFBOQEY-IAGOWNOFSA-N 1 3 337.508 2.661 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@H]2CC[N@@H+](CCCN3CCCC3)C[C@@H]2C1 ZINC000377757930 476564473 /nfs/dbraw/zinc/56/44/73/476564473.db2.gz GUFXVFXUFBOQEY-IAGOWNOFSA-N 1 3 337.508 2.661 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)C)C2)[C@@H](C)C1 ZINC000361068086 476579255 /nfs/dbraw/zinc/57/92/55/476579255.db2.gz KHEFDQHRIUSAPE-UFYCRDLUSA-N 1 3 339.568 2.833 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)C)C2)[C@@H](C)C1 ZINC000361068087 476579619 /nfs/dbraw/zinc/57/96/19/476579619.db2.gz KHEFDQHRIUSAPE-ZCNNSNEGSA-N 1 3 339.568 2.833 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361082538 476587828 /nfs/dbraw/zinc/58/78/28/476587828.db2.gz VRELJSGCDFKUFC-WBVHZDCISA-N 1 3 341.455 2.612 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cc(C)ccc1OC ZINC000357776553 476596596 /nfs/dbraw/zinc/59/65/96/476596596.db2.gz DIPXIAIPWXRPGX-SJLPKXTDSA-N 1 3 347.503 2.632 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357779208 476597811 /nfs/dbraw/zinc/59/78/11/476597811.db2.gz JQJNPBDARMYGHY-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000357779208 476597816 /nfs/dbraw/zinc/59/78/16/476597816.db2.gz JQJNPBDARMYGHY-PKOBYXMFSA-N 1 3 346.519 2.679 20 0 EFADHO COC[C@@H]1CCCCN(CCC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000369948276 476600438 /nfs/dbraw/zinc/60/04/38/476600438.db2.gz LRWJKSVLMBFNQT-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO COC[C@@H]1CCCCN(CCC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000369948276 476600445 /nfs/dbraw/zinc/60/04/45/476600445.db2.gz LRWJKSVLMBFNQT-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO COC[C@@H]1CCCC[N@@H+](CCCN2CCCC[C@H](COC)C2)C1 ZINC000369948276 476600448 /nfs/dbraw/zinc/60/04/48/476600448.db2.gz LRWJKSVLMBFNQT-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO COC[C@@H]1CCCC[N@H+](CCCN2CCCC[C@H](COC)C2)C1 ZINC000369948276 476600462 /nfs/dbraw/zinc/60/04/62/476600462.db2.gz LRWJKSVLMBFNQT-KDURUIRLSA-N 1 3 326.525 2.874 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361123624 476618529 /nfs/dbraw/zinc/61/85/29/476618529.db2.gz BGQPCDUTZGHBTD-HLIPFELVSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361123624 476618536 /nfs/dbraw/zinc/61/85/36/476618536.db2.gz BGQPCDUTZGHBTD-HLIPFELVSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000374985285 476622066 /nfs/dbraw/zinc/62/20/66/476622066.db2.gz YHDKNHYNADTFNP-HSALFYBXSA-N 1 3 341.499 2.607 20 0 EFADHO C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)N1CCCCCC1 ZINC000357818054 476627416 /nfs/dbraw/zinc/62/74/16/476627416.db2.gz RZWFXHLIYQJLTJ-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357835115 476638276 /nfs/dbraw/zinc/63/82/76/476638276.db2.gz OAOXATUGAKDSQR-ZDUSSCGKSA-N 1 3 343.313 2.746 20 0 EFADHO C[C@@H](Cn1cc(Br)cn1)NCC(C)(C)C[NH+]1CCCC1 ZINC000357835115 476638281 /nfs/dbraw/zinc/63/82/81/476638281.db2.gz OAOXATUGAKDSQR-ZDUSSCGKSA-N 1 3 343.313 2.746 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccs1 ZINC000377941997 476649533 /nfs/dbraw/zinc/64/95/33/476649533.db2.gz LQIPEKOKNCAXGU-RDJZCZTQSA-N 1 3 347.528 2.876 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2CCc2ccccc2)CC[N@@H+]1C ZINC000378027475 476674300 /nfs/dbraw/zinc/67/43/00/476674300.db2.gz QKTXPPYQRNFLMD-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2CCc2ccccc2)CC[N@H+]1C ZINC000378027475 476674304 /nfs/dbraw/zinc/67/43/04/476674304.db2.gz QKTXPPYQRNFLMD-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC[C@@H](CC[NH3+])C1 ZINC000443057635 476707969 /nfs/dbraw/zinc/70/79/69/476707969.db2.gz HMRJCCUIBPRKIZ-BPKRFKHESA-N 1 3 333.520 2.521 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@H]1[C@@H](C)O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320093 476712995 /nfs/dbraw/zinc/71/29/95/476712995.db2.gz NKTOEUIBTMXTDU-YBUSJDGFSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@H]1[C@@H](C)O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320093 476713002 /nfs/dbraw/zinc/71/30/02/476713002.db2.gz NKTOEUIBTMXTDU-YBUSJDGFSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H](C)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320093 476713008 /nfs/dbraw/zinc/71/30/08/476713008.db2.gz NKTOEUIBTMXTDU-YBUSJDGFSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H](C)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320093 476713012 /nfs/dbraw/zinc/71/30/12/476713012.db2.gz NKTOEUIBTMXTDU-YBUSJDGFSA-N 1 3 340.552 2.585 20 0 EFADHO CC(C)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000444752046 476730063 /nfs/dbraw/zinc/73/00/63/476730063.db2.gz GXKSCFMSMLFBLV-RTBURBONSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)N(C)C)C1 ZINC000444752046 476730068 /nfs/dbraw/zinc/73/00/68/476730068.db2.gz GXKSCFMSMLFBLV-RTBURBONSA-N 1 3 331.504 2.774 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379661931 476731511 /nfs/dbraw/zinc/73/15/11/476731511.db2.gz GUOYTOBJNGIMKA-WSTZPKSXSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000379668710 476731660 /nfs/dbraw/zinc/73/16/60/476731660.db2.gz FBGJNGTUYXULGS-QRQLOZEOSA-N 1 3 329.488 2.688 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379665546 476731735 /nfs/dbraw/zinc/73/17/35/476731735.db2.gz TUGVLKVULGKIGW-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc(CN2CCOCC2)c1 ZINC000422691110 476731841 /nfs/dbraw/zinc/73/18/41/476731841.db2.gz HLKKRJSIUPBMFU-NJDAHSKKSA-N 1 3 343.515 2.529 20 0 EFADHO c1cc(CN2CCC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)ccn1 ZINC000422690893 476732404 /nfs/dbraw/zinc/73/24/04/476732404.db2.gz HHCZGKMDEPDOSV-VAMGGRTRSA-N 1 3 328.504 2.556 20 0 EFADHO Cc1cccc(OCC[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000375239715 476734106 /nfs/dbraw/zinc/73/41/06/476734106.db2.gz VJVSTTGRRHXYAL-UHFFFAOYSA-N 1 3 345.531 2.723 20 0 EFADHO COCCN(C)CC[C@@H](N[C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709171 476736827 /nfs/dbraw/zinc/73/68/27/476736827.db2.gz CZDLGEOTTXKTRJ-YSIASYRMSA-N 1 3 333.520 2.816 20 0 EFADHO CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000381387488 476737434 /nfs/dbraw/zinc/73/74/34/476737434.db2.gz TZIGCKUKNQHMPG-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@H](O)CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000381387488 476737444 /nfs/dbraw/zinc/73/74/44/476737444.db2.gz TZIGCKUKNQHMPG-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO CC(C)COC[C@H](O)CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000381387488 476737457 /nfs/dbraw/zinc/73/74/57/476737457.db2.gz TZIGCKUKNQHMPG-LEWJYISDSA-N 1 3 348.531 2.912 20 0 EFADHO COCCN(C)CC[C@@H](N[C@@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709165 476738113 /nfs/dbraw/zinc/73/81/13/476738113.db2.gz CZDLGEOTTXKTRJ-DFQSSKMNSA-N 1 3 333.520 2.816 20 0 EFADHO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(CN)nc3C)C2)c1 ZINC000422714615 476740298 /nfs/dbraw/zinc/74/02/98/476740298.db2.gz RETMDANESBYBFC-RDJZCZTQSA-N 1 3 340.471 2.787 20 0 EFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365866344 476741018 /nfs/dbraw/zinc/74/10/18/476741018.db2.gz MLERDDGJHSBJIQ-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365866344 476741022 /nfs/dbraw/zinc/74/10/22/476741022.db2.gz MLERDDGJHSBJIQ-HXUWFJFHSA-N 1 3 343.515 2.747 20 0 EFADHO CC[C@@H](NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422716846 476741273 /nfs/dbraw/zinc/74/12/73/476741273.db2.gz UUAILWLLVREKNH-MSOLQXFVSA-N 1 3 334.508 2.624 20 0 EFADHO CC[C@@H]([NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCCN1 ZINC000422716846 476741278 /nfs/dbraw/zinc/74/12/78/476741278.db2.gz UUAILWLLVREKNH-MSOLQXFVSA-N 1 3 334.508 2.624 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719237 476744222 /nfs/dbraw/zinc/74/42/22/476744222.db2.gz XZAVBZOHRGFIEW-BEVDRBHNSA-N 1 3 329.463 2.977 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000422719237 476744230 /nfs/dbraw/zinc/74/42/30/476744230.db2.gz XZAVBZOHRGFIEW-BEVDRBHNSA-N 1 3 329.463 2.977 20 0 EFADHO c1ccc(CCOCCCCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422724082 476745425 /nfs/dbraw/zinc/74/54/25/476745425.db2.gz UJBFLRXBIHHMJU-NJDAHSKKSA-N 1 3 346.515 2.773 20 0 EFADHO c1ccc(CCOCCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422724084 476746128 /nfs/dbraw/zinc/74/61/28/476746128.db2.gz UJBFLRXBIHHMJU-PWRODBHTSA-N 1 3 346.515 2.773 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000382762380 476746594 /nfs/dbraw/zinc/74/65/94/476746594.db2.gz LHXFVXGNIZYIMZ-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382735550 476747436 /nfs/dbraw/zinc/74/74/36/476747436.db2.gz HHKLDCUEQRKIKK-MOPGFXCFSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000382766588 476748102 /nfs/dbraw/zinc/74/81/02/476748102.db2.gz VPEREYNBLVIQMA-QGZVFWFLSA-N 1 3 329.488 2.629 20 0 EFADHO COc1ccc(CC[NH2+][C@@H](C)c2ccc(CN)nc2C)cc1OC ZINC000422731216 476749516 /nfs/dbraw/zinc/74/95/16/476749516.db2.gz NDRIJIZGNXWOSH-ZDUSSCGKSA-N 1 3 329.444 2.759 20 0 EFADHO COc1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000383391511 476750138 /nfs/dbraw/zinc/75/01/38/476750138.db2.gz SCCREJUXHWLQIS-OKILXGFUSA-N 1 3 339.277 2.889 20 0 EFADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734756 476750583 /nfs/dbraw/zinc/75/05/83/476750583.db2.gz TYBCIBBHMMRTQC-XEZPLFJOSA-N 1 3 343.393 2.881 20 0 EFADHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000422734756 476750591 /nfs/dbraw/zinc/75/05/91/476750591.db2.gz TYBCIBBHMMRTQC-XEZPLFJOSA-N 1 3 343.393 2.881 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000383569108 476751027 /nfs/dbraw/zinc/75/10/27/476751027.db2.gz JRGPPYCRXQPMQL-GUDVDZBRSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](CCCC[NH3+])NCc1cn2cc(Br)ccc2n1 ZINC000422732515 476751235 /nfs/dbraw/zinc/75/12/35/476751235.db2.gz OTJVYNBFMDQSDM-NSHDSACASA-N 1 3 325.254 2.704 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000422735448 476751854 /nfs/dbraw/zinc/75/18/54/476751854.db2.gz UTXMNCTVFLXVSS-YJYMSZOUSA-N 1 3 330.451 2.941 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(CN)nc1C)N(C)C ZINC000422748120 476758623 /nfs/dbraw/zinc/75/86/23/476758623.db2.gz SAPGQPRSXIKAEV-KUHUBIRLSA-N 1 3 342.487 2.811 20 0 EFADHO COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCCC2)cc1 ZINC000422754635 476760997 /nfs/dbraw/zinc/76/09/97/476760997.db2.gz JRJQBEIMYVNPJN-NHJHPMQKSA-N 1 3 329.488 2.705 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000422756075 476761747 /nfs/dbraw/zinc/76/17/47/476761747.db2.gz LEQLVXCEWXCUHF-CYBMUJFWSA-N 1 3 327.428 2.513 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)N2CCCC2)c1 ZINC000422757054 476762603 /nfs/dbraw/zinc/76/26/03/476762603.db2.gz JGCBRTOQDKJULM-UXPWSPDFSA-N 1 3 331.504 2.810 20 0 EFADHO COc1cccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422756481 476762848 /nfs/dbraw/zinc/76/28/48/476762848.db2.gz IXIURXORVUSYDT-IHPCNDPISA-N 1 3 331.504 2.939 20 0 EFADHO OC[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1 ZINC000422762434 476765037 /nfs/dbraw/zinc/76/50/37/476765037.db2.gz NQAQIBJTYGSQRU-FRYIKTPZSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422766038 476765748 /nfs/dbraw/zinc/76/57/48/476765748.db2.gz RIFMOQZFJWRDRZ-KFWWJZLASA-N 1 3 339.430 2.844 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000422766037 476766370 /nfs/dbraw/zinc/76/63/70/476766370.db2.gz RIFMOQZFJWRDRZ-ILXRZTDVSA-N 1 3 339.430 2.844 20 0 EFADHO C[C@H](NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1C[NH2+]C1 ZINC000422772955 476769043 /nfs/dbraw/zinc/76/90/43/476769043.db2.gz ZJNLQRWDNWODJS-ZDUSSCGKSA-N 1 3 342.405 2.951 20 0 EFADHO C[C@H]([NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1)C1CNC1 ZINC000422772955 476769050 /nfs/dbraw/zinc/76/90/50/476769050.db2.gz ZJNLQRWDNWODJS-ZDUSSCGKSA-N 1 3 342.405 2.951 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000387698610 476772767 /nfs/dbraw/zinc/77/27/67/476772767.db2.gz WSBCFPHKFINLJJ-MSOLQXFVSA-N 1 3 331.504 2.964 20 0 EFADHO C[NH+]1CCC(N2CC[C@H](NCc3cnc(-c4ccco4)s3)C2)CC1 ZINC000365942084 476774994 /nfs/dbraw/zinc/77/49/94/476774994.db2.gz RWSHEQUBJNIAPS-AWEZNQCLSA-N 1 3 346.500 2.661 20 0 EFADHO OC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1c(F)cccc1Cl ZINC000422791761 476777351 /nfs/dbraw/zinc/77/73/51/476777351.db2.gz DDHPIMXROALVJX-ICIURTGMSA-N 1 3 326.843 2.503 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H]3CCSC3)CC2)C[C@@H](C)O1 ZINC000365955699 476782093 /nfs/dbraw/zinc/78/20/93/476782093.db2.gz XPUXYZJHVYAILA-JFIYKMOQSA-N 1 3 326.550 2.951 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)N(CC)CC ZINC000413898030 476783213 /nfs/dbraw/zinc/78/32/13/476783213.db2.gz FYBFDXTZEVUCNQ-KRWDZBQOSA-N 1 3 339.455 2.825 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000389892632 476787094 /nfs/dbraw/zinc/78/70/94/476787094.db2.gz AQFJIHKRALJRET-IEBWSBKVSA-N 1 3 343.515 2.922 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000413917577 476790067 /nfs/dbraw/zinc/79/00/67/476790067.db2.gz QKLIPMBIIWKWJH-UHFFFAOYSA-N 1 3 349.450 2.579 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000422819112 476794529 /nfs/dbraw/zinc/79/45/29/476794529.db2.gz MJFHPRXDPBKYPN-OXJNMPFZSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCN(C)Cc1ccc(F)cc1 ZINC000422819112 476794533 /nfs/dbraw/zinc/79/45/33/476794533.db2.gz MJFHPRXDPBKYPN-OXJNMPFZSA-N 1 3 329.463 2.806 20 0 EFADHO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cccc(Cn2ccnc2)c1 ZINC000422826721 476797500 /nfs/dbraw/zinc/79/75/00/476797500.db2.gz LYHPCOATEKHILW-UTKZUKDTSA-N 1 3 334.467 2.980 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000422826721 476797505 /nfs/dbraw/zinc/79/75/05/476797505.db2.gz LYHPCOATEKHILW-UTKZUKDTSA-N 1 3 334.467 2.980 20 0 EFADHO Fc1ccc(OCCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422828050 476797751 /nfs/dbraw/zinc/79/77/51/476797751.db2.gz FRTXVPOSGNQESB-IPMKNSEASA-N 1 3 336.451 2.731 20 0 EFADHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C1 ZINC000422842044 476804826 /nfs/dbraw/zinc/80/48/26/476804826.db2.gz FBIJDVVMFZGLBJ-IEBWSBKVSA-N 1 3 343.515 2.875 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390941402 476809283 /nfs/dbraw/zinc/80/92/83/476809283.db2.gz MSDJPPFREPMSFE-QFMLELGNSA-N 1 3 341.499 2.686 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390941402 476809289 /nfs/dbraw/zinc/80/92/89/476809289.db2.gz MSDJPPFREPMSFE-QFMLELGNSA-N 1 3 341.499 2.686 20 0 EFADHO CCCCOc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000422854822 476811481 /nfs/dbraw/zinc/81/14/81/476811481.db2.gz DDZQPIURDKECII-HYVNUMGLSA-N 1 3 336.476 2.716 20 0 EFADHO CCCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000422854823 476811623 /nfs/dbraw/zinc/81/16/23/476811623.db2.gz DDZQPIURDKECII-USXIJHARSA-N 1 3 336.476 2.716 20 0 EFADHO CCCCOc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000422854821 476812024 /nfs/dbraw/zinc/81/20/24/476812024.db2.gz DDZQPIURDKECII-DJIMGWMZSA-N 1 3 336.476 2.716 20 0 EFADHO CCOC(=O)C1CCC([NH2+]C2CCN(c3ccncc3)CC2)CC1 ZINC000391941980 476819514 /nfs/dbraw/zinc/81/95/14/476819514.db2.gz OVVLSURFFGPQHM-UHFFFAOYSA-N 1 3 331.460 2.762 20 0 EFADHO CN(C)Cc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000392114320 476820451 /nfs/dbraw/zinc/82/04/51/476820451.db2.gz CGINBPVOBQPIST-UHFFFAOYSA-N 1 3 326.444 2.727 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000392150713 476821857 /nfs/dbraw/zinc/82/18/57/476821857.db2.gz WQGKNUYZCZNEFE-HKUYNNGSSA-N 1 3 329.488 2.720 20 0 EFADHO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1=CCN(C)CC1 ZINC000392207458 476822583 /nfs/dbraw/zinc/82/25/83/476822583.db2.gz NOSDFGMETSCSQX-HNNXBMFYSA-N 1 3 325.497 2.921 20 0 EFADHO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000392150715 476822848 /nfs/dbraw/zinc/82/28/48/476822848.db2.gz WQGKNUYZCZNEFE-MJGOQNOKSA-N 1 3 329.488 2.720 20 0 EFADHO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCNCC[C@H]3C)C2)c1 ZINC000422879648 476824952 /nfs/dbraw/zinc/82/49/52/476824952.db2.gz VUVKVJOWGHJMEV-QINHECLXSA-N 1 3 347.503 2.508 20 0 EFADHO COC1CCN(C(C)(C)CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422886303 476826966 /nfs/dbraw/zinc/82/69/66/476826966.db2.gz IVJCXAPFJLVAAX-DLBZAZTESA-N 1 3 325.541 2.776 20 0 EFADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000422887658 476829308 /nfs/dbraw/zinc/82/93/08/476829308.db2.gz LFNBMAVKORAHHM-RZQVSUQPSA-N 1 3 343.515 2.539 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccccn2)CC1 ZINC000422899635 476834812 /nfs/dbraw/zinc/83/48/12/476834812.db2.gz OUTUGPHQZIDEKP-HKUYNNGSSA-N 1 3 330.520 2.946 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000422898394 476835021 /nfs/dbraw/zinc/83/50/21/476835021.db2.gz FAABTOYUNGKERY-SGMGOOAPSA-N 1 3 347.286 2.840 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000422898394 476835028 /nfs/dbraw/zinc/83/50/28/476835028.db2.gz FAABTOYUNGKERY-SGMGOOAPSA-N 1 3 347.286 2.840 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3CCCCC[C@@H]3[NH3+])c2)CCO1 ZINC000422901643 476836755 /nfs/dbraw/zinc/83/67/55/476836755.db2.gz LIEDDEKYUMLEQL-UXPWSPDFSA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3CCCCC[C@@H]3N)c2)CCO1 ZINC000422901643 476836759 /nfs/dbraw/zinc/83/67/59/476836759.db2.gz LIEDDEKYUMLEQL-UXPWSPDFSA-N 1 3 331.504 2.657 20 0 EFADHO C[C@@H](N)C[C@@H](C)[NH2+]CCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902731 476837029 /nfs/dbraw/zinc/83/70/29/476837029.db2.gz NHHXVSQAAWKRBR-HZPDHXFCSA-N 1 3 338.927 2.568 20 0 EFADHO C[C@@H]([NH3+])C[C@@H](C)NCCCN1CCN(c2ccccc2Cl)CC1 ZINC000422902731 476837035 /nfs/dbraw/zinc/83/70/35/476837035.db2.gz NHHXVSQAAWKRBR-HZPDHXFCSA-N 1 3 338.927 2.568 20 0 EFADHO C(CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1nc2c(s1)CCCC2 ZINC000422900787 476838266 /nfs/dbraw/zinc/83/82/66/476838266.db2.gz ATYFPFNJZKIWMK-BZUAXINKSA-N 1 3 349.544 2.701 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000422908200 476840662 /nfs/dbraw/zinc/84/06/62/476840662.db2.gz MDEJWEVARRTWOJ-DJIMGWMZSA-N 1 3 325.859 2.913 20 0 EFADHO CCc1nc(CN2CCC(CN[C@H](C)[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000422910409 476840724 /nfs/dbraw/zinc/84/07/24/476840724.db2.gz ICLVFAJRTSRYSF-RHSMWYFYSA-N 1 3 336.549 2.648 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908590 476841044 /nfs/dbraw/zinc/84/10/44/476841044.db2.gz YUVUJOKXQXIRIH-BJJXKVORSA-N 1 3 346.393 2.552 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000422908590 476841054 /nfs/dbraw/zinc/84/10/54/476841054.db2.gz YUVUJOKXQXIRIH-BJJXKVORSA-N 1 3 346.393 2.552 20 0 EFADHO CCc1nc(CN2CCC(CN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422910408 476841608 /nfs/dbraw/zinc/84/16/08/476841608.db2.gz ICLVFAJRTSRYSF-PBHICJAKSA-N 1 3 336.549 2.648 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@@H]3CCC[C@@H]3CN)CC2)cs1 ZINC000422913542 476843358 /nfs/dbraw/zinc/84/33/58/476843358.db2.gz QDVWKYHJYSWTIK-NVXWUHKLSA-N 1 3 336.549 2.635 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422915974 476845472 /nfs/dbraw/zinc/84/54/72/476845472.db2.gz CCUQSMFPPXBQKE-QUCCMNQESA-N 1 3 330.520 2.754 20 0 EFADHO Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1 ZINC000422918745 476845823 /nfs/dbraw/zinc/84/58/23/476845823.db2.gz INUSUMBOBXTZBV-GVDBMIGSSA-N 1 3 333.476 2.608 20 0 EFADHO Cc1ccoc1C(=O)NCCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422918745 476845831 /nfs/dbraw/zinc/84/58/31/476845831.db2.gz INUSUMBOBXTZBV-GVDBMIGSSA-N 1 3 333.476 2.608 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422926348 476848321 /nfs/dbraw/zinc/84/83/21/476848321.db2.gz WNEPZGHRLULNQK-XLIONFOSSA-N 1 3 330.520 2.624 20 0 EFADHO CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CCC[C@H]2CN)cc1 ZINC000422923957 476848981 /nfs/dbraw/zinc/84/89/81/476848981.db2.gz AGAOSQXVGYMLLI-VDZJLULYSA-N 1 3 347.503 2.760 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCOc1ccc(Br)cc1 ZINC000422940588 476855012 /nfs/dbraw/zinc/85/50/12/476855012.db2.gz HDTHLUIXDSJBNA-DOMZBBRYSA-N 1 3 327.266 2.806 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000422938214 476855617 /nfs/dbraw/zinc/85/56/17/476855617.db2.gz GXUMYAFTUJNALD-QKLQHJQFSA-N 1 3 331.504 2.528 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000422938211 476855835 /nfs/dbraw/zinc/85/58/35/476855835.db2.gz GXUMYAFTUJNALD-FUHIMQAGSA-N 1 3 331.504 2.528 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000422940590 476855989 /nfs/dbraw/zinc/85/59/89/476855989.db2.gz HDTHLUIXDSJBNA-SWLSCSKDSA-N 1 3 327.266 2.806 20 0 EFADHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422943009 476857399 /nfs/dbraw/zinc/85/73/99/476857399.db2.gz XJSVQHSMFRVHIO-IAOVAPTHSA-N 1 3 326.868 2.841 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2CN[C@@H]2CC[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000422948238 476860273 /nfs/dbraw/zinc/86/02/73/476860273.db2.gz QYJLIXDOLIAMPQ-DCXXXQMHSA-N 1 3 345.531 2.774 20 0 EFADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000422949455 476861250 /nfs/dbraw/zinc/86/12/50/476861250.db2.gz VCVIKSBTOJVWQV-QKPAOTATSA-N 1 3 338.517 2.765 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422951812 476862270 /nfs/dbraw/zinc/86/22/70/476862270.db2.gz AFQJMJALPTZQQO-OTWHNJEPSA-N 1 3 341.499 2.866 20 0 EFADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422951390 476862303 /nfs/dbraw/zinc/86/23/03/476862303.db2.gz YJZYJOZSEDGPSZ-IPMKNSEASA-N 1 3 332.488 2.819 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@H]2C[C@@H](N)c3ccccc32)c1 ZINC000422951192 476862416 /nfs/dbraw/zinc/86/24/16/476862416.db2.gz ZVHDAVOZXDARPT-MOPGFXCFSA-N 1 3 325.412 2.758 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)c1cccs1 ZINC000422953827 476863902 /nfs/dbraw/zinc/86/39/02/476863902.db2.gz GPSVXSXAGZIKGH-BZUAXINKSA-N 1 3 335.517 2.768 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000422953827 476863908 /nfs/dbraw/zinc/86/39/08/476863908.db2.gz GPSVXSXAGZIKGH-BZUAXINKSA-N 1 3 335.517 2.768 20 0 EFADHO Cc1ccc(Br)cc1NC(=O)CCN[C@@H](C)C[C@H](C)[NH3+] ZINC000422955286 476864894 /nfs/dbraw/zinc/86/48/94/476864894.db2.gz LNYXCQVGYOILNL-RYUDHWBXSA-N 1 3 342.281 2.802 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCCN(C(=O)C1CCC1)C1CC1 ZINC000422955902 476865005 /nfs/dbraw/zinc/86/50/05/476865005.db2.gz KEEPGJCNTNFPTD-JXFKEZNVSA-N 1 3 343.515 2.716 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1Cc2ccccc2C1 ZINC000422959065 476865934 /nfs/dbraw/zinc/86/59/34/476865934.db2.gz QJKZPDDFUINTCL-XUVXKRRUSA-N 1 3 341.499 2.819 20 0 EFADHO CN(CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)C[NH3+] ZINC000430576629 476866379 /nfs/dbraw/zinc/86/63/79/476866379.db2.gz SNWVNWINSSDTKP-UHFFFAOYSA-N 1 3 331.382 2.951 20 0 EFADHO C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)CN ZINC000430576629 476866385 /nfs/dbraw/zinc/86/63/85/476866385.db2.gz SNWVNWINSSDTKP-UHFFFAOYSA-N 1 3 331.382 2.951 20 0 EFADHO C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)CN ZINC000430576629 476866391 /nfs/dbraw/zinc/86/63/91/476866391.db2.gz SNWVNWINSSDTKP-UHFFFAOYSA-N 1 3 331.382 2.951 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414076661 476866489 /nfs/dbraw/zinc/86/64/89/476866489.db2.gz YLVCDSOGBMRRFZ-SJORKVTESA-N 1 3 325.541 2.584 20 0 EFADHO Fc1ccc(CCN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000422957660 476866949 /nfs/dbraw/zinc/86/69/49/476866949.db2.gz USYQJGJZXGCWIF-BHYGNILZSA-N 1 3 326.843 2.768 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172915 476868431 /nfs/dbraw/zinc/86/84/31/476868431.db2.gz LMUBQQROQAKPQD-LPHOPBHVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCN(C2CC2)C1 ZINC000452172915 476868436 /nfs/dbraw/zinc/86/84/36/476868436.db2.gz LMUBQQROQAKPQD-LPHOPBHVSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430584077 476868758 /nfs/dbraw/zinc/86/87/58/476868758.db2.gz NXTKBZMGDWTVRM-GXTWGEPZSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CN ZINC000430583456 476868977 /nfs/dbraw/zinc/86/89/77/476868977.db2.gz MIDVHAFGXDNUPX-DOMZBBRYSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]1CN ZINC000430583456 476868981 /nfs/dbraw/zinc/86/89/81/476868981.db2.gz MIDVHAFGXDNUPX-DOMZBBRYSA-N 1 3 334.851 2.992 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)c1ccc(F)cc1 ZINC000422960327 476869264 /nfs/dbraw/zinc/86/92/64/476869264.db2.gz VVCAYPNAMJOKNL-GBESFXJTSA-N 1 3 347.478 2.846 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422960327 476869266 /nfs/dbraw/zinc/86/92/66/476869266.db2.gz VVCAYPNAMJOKNL-GBESFXJTSA-N 1 3 347.478 2.846 20 0 EFADHO CC(C)(CO)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422968684 476870155 /nfs/dbraw/zinc/87/01/55/476870155.db2.gz RVWJIQQDVHJNOX-YSTOQKLRSA-N 1 3 346.515 2.535 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000422966739 476870451 /nfs/dbraw/zinc/87/04/51/476870451.db2.gz ALZHOHJHIVDEDS-HNAYVOBHSA-N 1 3 325.456 2.919 20 0 EFADHO [NH3+]CCCOC1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000430584249 476870318 /nfs/dbraw/zinc/87/03/18/476870318.db2.gz USDZFIZJUUHLMW-UHFFFAOYSA-N 1 3 346.393 2.914 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(COC2CCOCC2)cc1 ZINC000422969346 476872276 /nfs/dbraw/zinc/87/22/76/476872276.db2.gz UDYTVMFDSAFJNX-AZUAARDMSA-N 1 3 332.488 2.989 20 0 EFADHO CN1CCCN(CCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414111041 476872363 /nfs/dbraw/zinc/87/23/63/476872363.db2.gz IRTDFFKSYUGBGV-IRXDYDNUSA-N 1 3 325.541 2.586 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000414126790 476872962 /nfs/dbraw/zinc/87/29/62/476872962.db2.gz FKKWGRZRZYIOOA-CVEARBPZSA-N 1 3 325.541 2.584 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000414126791 476873042 /nfs/dbraw/zinc/87/30/42/476873042.db2.gz FKKWGRZRZYIOOA-HOTGVXAUSA-N 1 3 325.541 2.584 20 0 EFADHO CN1CCN(CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1(C)C ZINC000414126793 476873146 /nfs/dbraw/zinc/87/31/46/476873146.db2.gz FKKWGRZRZYIOOA-JKSUJKDBSA-N 1 3 325.541 2.584 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000422975839 476873872 /nfs/dbraw/zinc/87/38/72/476873872.db2.gz HNTBGISUQPJMEA-NRSPTQNISA-N 1 3 345.531 2.524 20 0 EFADHO C[N@H+](C[C@H]1CCCN(C(=O)CN)C1)C1c2ccccc2-c2ccccc21 ZINC000414698501 476887216 /nfs/dbraw/zinc/88/72/16/476887216.db2.gz CQJVJEHELLDOFM-MRXNPFEDSA-N 1 3 349.478 2.886 20 0 EFADHO C[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)C1c2ccccc2-c2ccccc21 ZINC000414698501 476887222 /nfs/dbraw/zinc/88/72/22/476887222.db2.gz CQJVJEHELLDOFM-MRXNPFEDSA-N 1 3 349.478 2.886 20 0 EFADHO [NH3+]CC(=O)N1CCC[C@@H](CN2Cc3ccccc3-c3ccccc3C2)C1 ZINC000414690069 476887513 /nfs/dbraw/zinc/88/75/13/476887513.db2.gz HOWNILWSQCVGQL-KRWDZBQOSA-N 1 3 349.478 2.867 20 0 EFADHO CC(C)[C@H](O)C(C)(C)CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423004849 476888057 /nfs/dbraw/zinc/88/80/57/476888057.db2.gz QAAIQGUHYWAPJP-IMFGXOCKSA-N 1 3 332.488 2.875 20 0 EFADHO COc1cccc(C(C)(C)CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423003686 476888155 /nfs/dbraw/zinc/88/81/55/476888155.db2.gz MZZVEMUSTVQVOY-GUDVDZBRSA-N 1 3 332.488 2.720 20 0 EFADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000423010710 476890837 /nfs/dbraw/zinc/89/08/37/476890837.db2.gz HFAIYAIQRBJCQT-UHOFOFEASA-N 1 3 326.868 2.623 20 0 EFADHO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000423010710 476890846 /nfs/dbraw/zinc/89/08/46/476890846.db2.gz HFAIYAIQRBJCQT-UHOFOFEASA-N 1 3 326.868 2.623 20 0 EFADHO CCOC(=O)C1([C@@H](C)N[C@@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423021248 476894118 /nfs/dbraw/zinc/89/41/18/476894118.db2.gz DVOOXGZLJUKGNP-QWHCGFSZSA-N 1 3 340.414 2.937 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCC1(c2ccc(F)cc2Cl)CC1 ZINC000423023525 476894412 /nfs/dbraw/zinc/89/44/12/476894412.db2.gz JVLDONVBLSSOQZ-RBOXIYTFSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2Cl)CC1 ZINC000423023525 476894417 /nfs/dbraw/zinc/89/44/17/476894417.db2.gz JVLDONVBLSSOQZ-RBOXIYTFSA-N 1 3 326.843 2.853 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000423023091 476894574 /nfs/dbraw/zinc/89/45/74/476894574.db2.gz IXJYXHLRDYNRBD-OLMNPRSZSA-N 1 3 339.911 2.819 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2cccc(F)c2F)CC[NH2+]CC1 ZINC000423021249 476894915 /nfs/dbraw/zinc/89/49/15/476894915.db2.gz DVOOXGZLJUKGNP-STQMWFEESA-N 1 3 340.414 2.937 20 0 EFADHO [NH3+]CC1CCC(N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000423028222 476896191 /nfs/dbraw/zinc/89/61/91/476896191.db2.gz SIOPUNPHDUIAHH-PPUFBPAQSA-N 1 3 339.842 2.692 20 0 EFADHO Cc1cc(Br)cn2cc(CCN[C@H](C)C[C@@H](C)[NH3+])nc12 ZINC000423038169 476900477 /nfs/dbraw/zinc/90/04/77/476900477.db2.gz NXBQMKBHVAHOPX-VXGBXAGGSA-N 1 3 339.281 2.663 20 0 EFADHO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C[C@@H](C)N)nc12 ZINC000423038169 476900484 /nfs/dbraw/zinc/90/04/84/476900484.db2.gz NXBQMKBHVAHOPX-VXGBXAGGSA-N 1 3 339.281 2.663 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047206 476905097 /nfs/dbraw/zinc/90/50/97/476905097.db2.gz FVKOAUQLASAGRL-ZIAGYGMSSA-N 1 3 331.382 2.672 20 0 EFADHO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000370636264 476907064 /nfs/dbraw/zinc/90/70/64/476907064.db2.gz RDXWUGDTAGYTSS-UWJYYQICSA-N 1 3 343.515 2.831 20 0 EFADHO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370638290 476908017 /nfs/dbraw/zinc/90/80/17/476908017.db2.gz XFKKQYDTCUUVHA-AOIWGVFYSA-N 1 3 345.531 2.945 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[NH2+]CC1CC1 ZINC000430764586 476914135 /nfs/dbraw/zinc/91/41/35/476914135.db2.gz SPUMOJFUQGNYND-IBGZPJMESA-N 1 3 343.515 2.575 20 0 EFADHO CC1(C)CCCN(CCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423076705 476918491 /nfs/dbraw/zinc/91/84/91/476918491.db2.gz RSZCBAURNRMAGU-RXVVDRJESA-N 1 3 343.515 2.954 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000423076520 476918829 /nfs/dbraw/zinc/91/88/29/476918829.db2.gz RKTHMXGGVVLJLC-QRQLOZEOSA-N 1 3 333.545 2.582 20 0 EFADHO C[N@H+](Cc1ccccc1NC(=O)C[C@H]1CNCCO1)C1CCCCC1 ZINC000430820862 476922766 /nfs/dbraw/zinc/92/27/66/476922766.db2.gz JUIYNNYOCWZZTC-SFHVURJKSA-N 1 3 345.487 2.768 20 0 EFADHO C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CNCCO1)C1CCCCC1 ZINC000430820862 476922776 /nfs/dbraw/zinc/92/27/76/476922776.db2.gz JUIYNNYOCWZZTC-SFHVURJKSA-N 1 3 345.487 2.768 20 0 EFADHO Cc1cccc(OCCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000423089695 476923770 /nfs/dbraw/zinc/92/37/70/476923770.db2.gz SVZQFPXVAKBEFJ-IPMKNSEASA-N 1 3 332.488 2.819 20 0 EFADHO C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)[C@H]1CCCN1C1CCCCC1 ZINC000423094761 476925397 /nfs/dbraw/zinc/92/53/97/476925397.db2.gz KSKKOKLOWPBDBJ-WTGUMLROSA-N 1 3 335.536 2.530 20 0 EFADHO C[N@H+](CCCCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000457205523 476925893 /nfs/dbraw/zinc/92/58/93/476925893.db2.gz RNPFZRHODHHXGF-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO C[N@@H+](CCCCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000457205523 476925905 /nfs/dbraw/zinc/92/59/05/476925905.db2.gz RNPFZRHODHHXGF-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1cc(CN[C@H](C)C[C@H](C)[NH3+])ccc1I ZINC000423099657 476928054 /nfs/dbraw/zinc/92/80/54/476928054.db2.gz MGDLZCFSXFVINN-WDEREUQCSA-N 1 3 332.229 2.815 20 0 EFADHO Fc1ccc2[nH]cc(CCCN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2c1 ZINC000423109475 476930572 /nfs/dbraw/zinc/93/05/72/476930572.db2.gz HFGVXDZGTIWHTO-CMKODMSKSA-N 1 3 345.462 2.986 20 0 EFADHO C[C@@H](NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423107951 476931721 /nfs/dbraw/zinc/93/17/21/476931721.db2.gz QITUGMMDNOSUBJ-UZLBHIALSA-N 1 3 331.504 2.780 20 0 EFADHO C[NH2+]CC1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430932330 476940137 /nfs/dbraw/zinc/94/01/37/476940137.db2.gz FAOLLCTWHZIQDJ-UHFFFAOYSA-N 1 3 332.366 2.895 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415587987 476942787 /nfs/dbraw/zinc/94/27/87/476942787.db2.gz ZKQHESFBDOCPAB-SFHVURJKSA-N 1 3 332.492 2.820 20 0 EFADHO C[C@@H]([NH3+])C1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000430948132 476945976 /nfs/dbraw/zinc/94/59/76/476945976.db2.gz DVFXLSAJJRNJFV-VQIMIIECSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000430945672 476946183 /nfs/dbraw/zinc/94/61/83/476946183.db2.gz SEHYHAZNWUPGDS-KGLIPLIRSA-N 1 3 337.895 2.919 20 0 EFADHO Cc1ccc(C[C@H](CO)N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1C ZINC000423157118 476948352 /nfs/dbraw/zinc/94/83/52/476948352.db2.gz AJLXPOJWRWIWPY-UIFIKXQLSA-N 1 3 326.484 2.755 20 0 EFADHO Cc1cc(CN[C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])ccc1Br ZINC000423158179 476949046 /nfs/dbraw/zinc/94/90/46/476949046.db2.gz CHXSAKHRBJRXEI-NJZAAPMLSA-N 1 3 327.266 2.599 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430957872 476949164 /nfs/dbraw/zinc/94/91/64/476949164.db2.gz QLLDQBNTTHFXAI-JYJNAYRXSA-N 1 3 331.504 2.874 20 0 EFADHO C[C@@H]([NH3+])C1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000430965966 476952426 /nfs/dbraw/zinc/95/24/26/476952426.db2.gz MYWGVJJSNDTCSA-BEFAXECRSA-N 1 3 329.488 2.582 20 0 EFADHO Cc1cc([C@@H](NCCCN2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423181825 476955790 /nfs/dbraw/zinc/95/57/90/476955790.db2.gz JPWWTNRCXALOHU-HXUWFJFHSA-N 1 3 342.462 2.503 20 0 EFADHO COc1ccc([C@H](CCn2cncn2)[NH2+]CC2(N)CCCCC2)cc1 ZINC000423187575 476958696 /nfs/dbraw/zinc/95/86/96/476958696.db2.gz YFVSAAZUJZLUPI-SFHVURJKSA-N 1 3 343.475 2.669 20 0 EFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431014782 476960183 /nfs/dbraw/zinc/96/01/83/476960183.db2.gz PBSPSNUHDTXHLK-MRXNPFEDSA-N 1 3 347.528 2.659 20 0 EFADHO CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000423195919 476961048 /nfs/dbraw/zinc/96/10/48/476961048.db2.gz YMHIMCRGHBESHJ-UKBAYJJMSA-N 1 3 334.508 2.881 20 0 EFADHO Cc1cccc([C@H](NCCN2CC[NH2+]CC2)c2cccc(F)c2)c1 ZINC000423202151 476962001 /nfs/dbraw/zinc/96/20/01/476962001.db2.gz KFLJGCYRQRLKRE-FQEVSTJZSA-N 1 3 327.447 2.718 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000415901319 476962784 /nfs/dbraw/zinc/96/27/84/476962784.db2.gz MOQXTDJVNGSUNH-GOSISDBHSA-N 1 3 340.471 2.700 20 0 EFADHO Clc1sc(Cl)c2c1CCC[C@H]2NCCN1CC[NH2+]CC1 ZINC000423208219 476963797 /nfs/dbraw/zinc/96/37/97/476963797.db2.gz SOGFSQHHLKZNRY-LLVKDONJSA-N 1 3 334.316 2.927 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc2c(c1)CNCC2 ZINC000415904318 476964656 /nfs/dbraw/zinc/96/46/56/476964656.db2.gz YGEKRNCFEUITOS-UHFFFAOYSA-N 1 3 330.476 2.720 20 0 EFADHO C[C@@H](NCCN1CC[NH2+]CC1)c1ccc2ccccc2c1OC(F)F ZINC000423211491 476965699 /nfs/dbraw/zinc/96/56/99/476965699.db2.gz YJYQCIHJGHESGT-CQSZACIVSA-N 1 3 349.425 2.997 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000415906367 476966910 /nfs/dbraw/zinc/96/69/10/476966910.db2.gz XNLPAKVFPGGDBA-UHFFFAOYSA-N 1 3 326.444 2.660 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000431063033 476969950 /nfs/dbraw/zinc/96/99/50/476969950.db2.gz WPTXMKBIMKLDNL-LCLWPZTBSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC[NH2+]CC1 ZINC000431059381 476970168 /nfs/dbraw/zinc/97/01/68/476970168.db2.gz CAJHMFCCKDDRLE-FUHIMQAGSA-N 1 3 343.515 2.964 20 0 EFADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423239266 476972833 /nfs/dbraw/zinc/97/28/33/476972833.db2.gz JQXIDZNONBLBNX-ZGXWSNOMSA-N 1 3 331.504 2.557 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000415927085 476972919 /nfs/dbraw/zinc/97/29/19/476972919.db2.gz FFPBQIHLZFBDCH-LJQANCHMSA-N 1 3 338.455 2.802 20 0 EFADHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000370763825 476973003 /nfs/dbraw/zinc/97/30/03/476973003.db2.gz PQMLPNALPRBVOC-SFHLNBCPSA-N 1 3 341.499 2.629 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763432 476973377 /nfs/dbraw/zinc/97/33/77/476973377.db2.gz KRHBDRWMKMZFBH-CTNGQTDRSA-N 1 3 341.499 2.643 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000415931287 476973489 /nfs/dbraw/zinc/97/34/89/476973489.db2.gz KFJAQTRCVBMWIM-LJQANCHMSA-N 1 3 330.476 2.746 20 0 EFADHO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763434 476973911 /nfs/dbraw/zinc/97/39/11/476973911.db2.gz KRHBDRWMKMZFBH-PZJWPPBQSA-N 1 3 341.499 2.643 20 0 EFADHO Cc1c([C@H](C)NCC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(C)cc1 ZINC000423256314 476976803 /nfs/dbraw/zinc/97/68/03/476976803.db2.gz DYYYVNIGPFIFED-DOTOQJQBSA-N 1 3 327.476 2.924 20 0 EFADHO C[C@@H](CN)C[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423314338 476989633 /nfs/dbraw/zinc/98/96/33/476989633.db2.gz YESBFNFQXDBAKQ-RYUDHWBXSA-N 1 3 346.256 2.797 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000423313053 476990943 /nfs/dbraw/zinc/99/09/43/476990943.db2.gz WJKUIWVTZLRCOU-BEFAXECRSA-N 1 3 325.456 2.609 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)c1cccc(OC)c1 ZINC000423316159 476992416 /nfs/dbraw/zinc/99/24/16/476992416.db2.gz YBEAWSGUVMYEEF-ZYSHUDEJSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000447441641 476994037 /nfs/dbraw/zinc/99/40/37/476994037.db2.gz QKCGZPBBBYRKOP-OALUTQOASA-N 1 3 325.456 2.830 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@@H](C)CCN3)cc2)CC1 ZINC000423321178 476994525 /nfs/dbraw/zinc/99/45/25/476994525.db2.gz DZCGTMFBGHRDPB-FXAWDEMLSA-N 1 3 343.515 2.923 20 0 EFADHO C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423329461 476995589 /nfs/dbraw/zinc/99/55/89/476995589.db2.gz SVHIOBOGCVTVCE-SCLBCKFNSA-N 1 3 336.501 2.791 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)CC1(C[NH3+])CC1 ZINC000423327062 476995822 /nfs/dbraw/zinc/99/58/22/476995822.db2.gz LANWKTQNWOSCPP-GOSISDBHSA-N 1 3 343.515 2.705 20 0 EFADHO CC(C)[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H](C)[NH3+] ZINC000423333684 476997254 /nfs/dbraw/zinc/99/72/54/476997254.db2.gz SBSHYAIJIYBRCC-MAUKXSAKSA-N 1 3 331.504 2.559 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423341274 476999548 /nfs/dbraw/zinc/99/95/48/476999548.db2.gz XZBAMGFNTPZNJR-IPELMVKDSA-N 1 3 331.504 2.559 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC2(C[NH3+])CC2)c2ccccc2)CC1 ZINC000423338246 476999683 /nfs/dbraw/zinc/99/96/83/476999683.db2.gz AWKOCBJGXXHOJY-GOSISDBHSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@H]([NH3+])c1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1 ZINC000423343410 477001879 /nfs/dbraw/zinc/00/18/79/477001879.db2.gz WGDTYPRBIOYTKR-AWEZNQCLSA-N 1 3 327.428 2.899 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423356239 477003337 /nfs/dbraw/zinc/00/33/37/477003337.db2.gz JRTYQTGVRHHXFT-AEFFLSMTSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423356239 477003342 /nfs/dbraw/zinc/00/33/42/477003342.db2.gz JRTYQTGVRHHXFT-AEFFLSMTSA-N 1 3 331.504 2.949 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](N)CC1CCCCC1 ZINC000423357575 477004647 /nfs/dbraw/zinc/00/46/47/477004647.db2.gz ILGHJQANKVBCCN-SFHVURJKSA-N 1 3 347.503 2.541 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000423365512 477006648 /nfs/dbraw/zinc/00/66/48/477006648.db2.gz KHGWTKXTSVAHDH-GOEBONIOSA-N 1 3 330.476 2.519 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423375777 477010338 /nfs/dbraw/zinc/01/03/38/477010338.db2.gz XXRYRKXDIZFICH-KBAYOESNSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000423377681 477010425 /nfs/dbraw/zinc/01/04/25/477010425.db2.gz WCPPLWDCIZRQNA-BDOZRKEQSA-N 1 3 335.442 2.625 20 0 EFADHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(Cl)cc1 ZINC000423394267 477015678 /nfs/dbraw/zinc/01/56/78/477015678.db2.gz RXFITPOYFDYZLW-RISCZKNCSA-N 1 3 335.801 2.827 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCOCCN(C)C)c(Cl)c1 ZINC000447591514 477019455 /nfs/dbraw/zinc/01/94/55/477019455.db2.gz DHXJEUSOVRCGBR-CQSZACIVSA-N 1 3 341.883 2.533 20 0 EFADHO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCOCCN(C)C)c(Cl)c1 ZINC000447591509 477020097 /nfs/dbraw/zinc/02/00/97/477020097.db2.gz DHXJEUSOVRCGBR-AWEZNQCLSA-N 1 3 341.883 2.533 20 0 EFADHO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCOCCN(C)C ZINC000447598572 477020409 /nfs/dbraw/zinc/02/04/09/477020409.db2.gz VRLUZPLQBOLMOE-AWEZNQCLSA-N 1 3 341.883 2.533 20 0 EFADHO N[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403253 477020763 /nfs/dbraw/zinc/02/07/63/477020763.db2.gz XGJKMTXRZXMMDE-PZJWPPBQSA-N 1 3 341.499 2.629 20 0 EFADHO N[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)C1CCC1 ZINC000423403253 477020766 /nfs/dbraw/zinc/02/07/66/477020766.db2.gz XGJKMTXRZXMMDE-PZJWPPBQSA-N 1 3 341.499 2.629 20 0 EFADHO Cc1cc(NC(=O)[C@@H]2C[C@H](C)CCN2)ccc1OCC[NH+]1CCCC1 ZINC000423415115 477024869 /nfs/dbraw/zinc/02/48/69/477024869.db2.gz OOVCXNLZQNSDRG-QAPCUYQASA-N 1 3 345.487 2.796 20 0 EFADHO C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1 ZINC000423420682 477028405 /nfs/dbraw/zinc/02/84/05/477028405.db2.gz JOTADLQDKFZXNC-WBTNSWJXSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420162 477028443 /nfs/dbraw/zinc/02/84/43/477028443.db2.gz BCACACDRQIDZFX-GJYPPUQNSA-N 1 3 345.487 2.734 20 0 EFADHO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H](C)CCN3)cc2)C1 ZINC000423420162 477028451 /nfs/dbraw/zinc/02/84/51/477028451.db2.gz BCACACDRQIDZFX-GJYPPUQNSA-N 1 3 345.487 2.734 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423441513 477035153 /nfs/dbraw/zinc/03/51/53/477035153.db2.gz UNHADVQYHMTIAK-HKUYNNGSSA-N 1 3 343.515 2.903 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423441513 477035161 /nfs/dbraw/zinc/03/51/61/477035161.db2.gz UNHADVQYHMTIAK-HKUYNNGSSA-N 1 3 343.515 2.903 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2NCCc3ccccc32)[C@@H](C)C1 ZINC000423445571 477036220 /nfs/dbraw/zinc/03/62/20/477036220.db2.gz YKIQZHIUGXKSNT-YYWHXJBOSA-N 1 3 345.531 2.600 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2NCCc3ccccc32)[C@@H](C)C1 ZINC000423445571 477036223 /nfs/dbraw/zinc/03/62/23/477036223.db2.gz YKIQZHIUGXKSNT-YYWHXJBOSA-N 1 3 345.531 2.600 20 0 EFADHO CC[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1F ZINC000423453785 477038521 /nfs/dbraw/zinc/03/85/21/477038521.db2.gz KWLMWMQTQRBJBN-SCTDSRPQSA-N 1 3 333.451 2.513 20 0 EFADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147250 477040101 /nfs/dbraw/zinc/04/01/01/477040101.db2.gz AQFYFKKQBQFSPK-PKOBYXMFSA-N 1 3 329.488 2.813 20 0 EFADHO CN(C)[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000416147250 477040105 /nfs/dbraw/zinc/04/01/05/477040105.db2.gz AQFYFKKQBQFSPK-PKOBYXMFSA-N 1 3 329.488 2.813 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000416147969 477040144 /nfs/dbraw/zinc/04/01/44/477040144.db2.gz CDCDNCNXCRIZQN-LJQANCHMSA-N 1 3 341.499 2.568 20 0 EFADHO O=C(CCN1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000416147969 477040149 /nfs/dbraw/zinc/04/01/49/477040149.db2.gz CDCDNCNXCRIZQN-LJQANCHMSA-N 1 3 341.499 2.568 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000366502036 477042130 /nfs/dbraw/zinc/04/21/30/477042130.db2.gz WIMMRVJIULACPD-JONQDZQNSA-N 1 3 341.471 2.550 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366502036 477042134 /nfs/dbraw/zinc/04/21/34/477042134.db2.gz WIMMRVJIULACPD-JONQDZQNSA-N 1 3 341.471 2.550 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000366501147 477042606 /nfs/dbraw/zinc/04/26/06/477042606.db2.gz RNDNHLYDFNNVPS-VGWMRTNUSA-N 1 3 343.487 2.654 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000366501147 477042612 /nfs/dbraw/zinc/04/26/12/477042612.db2.gz RNDNHLYDFNNVPS-VGWMRTNUSA-N 1 3 343.487 2.654 20 0 EFADHO CC[NH+](CC)C[C@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416158145 477045749 /nfs/dbraw/zinc/04/57/49/477045749.db2.gz FIYIZCQROYPIIZ-MJGOQNOKSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000423512055 477056243 /nfs/dbraw/zinc/05/62/43/477056243.db2.gz UKWKPROBZWTRGT-BEFAXECRSA-N 1 3 336.443 2.793 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452729490 477061276 /nfs/dbraw/zinc/06/12/76/477061276.db2.gz KJJCRTVQDHGBIC-GOSISDBHSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)N(C)C ZINC000452729490 477061288 /nfs/dbraw/zinc/06/12/88/477061288.db2.gz KJJCRTVQDHGBIC-GOSISDBHSA-N 1 3 331.504 2.744 20 0 EFADHO CCn1cc([C@H](C)NCC2([NH3+])CCN(Cc3ccccc3)CC2)cn1 ZINC000423548154 477069956 /nfs/dbraw/zinc/06/99/56/477069956.db2.gz DRKTZEFWVWUZTA-KRWDZBQOSA-N 1 3 341.503 2.547 20 0 EFADHO C[C@@H](NCC1([NH3+])CCN(Cc2ccccc2)CC1)c1cncs1 ZINC000423572474 477073707 /nfs/dbraw/zinc/07/37/07/477073707.db2.gz OFALSOHHUSPEFE-OAHLLOKOSA-N 1 3 330.501 2.787 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416235283 477083919 /nfs/dbraw/zinc/08/39/19/477083919.db2.gz SPUMOQAYIKNQNE-XLIONFOSSA-N 1 3 341.499 2.520 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1 ZINC000416238239 477085166 /nfs/dbraw/zinc/08/51/66/477085166.db2.gz HMJPVZGBAWNZSG-RAUXBKROSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1 ZINC000416238238 477086079 /nfs/dbraw/zinc/08/60/79/477086079.db2.gz HMJPVZGBAWNZSG-QGZVKYPTSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000416244573 477090413 /nfs/dbraw/zinc/09/04/13/477090413.db2.gz QQMQKHVYXYVRAF-SWDXFRIISA-N 1 3 329.488 2.763 20 0 EFADHO CN(C)[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000416244573 477090418 /nfs/dbraw/zinc/09/04/18/477090418.db2.gz QQMQKHVYXYVRAF-SWDXFRIISA-N 1 3 329.488 2.763 20 0 EFADHO O=C([C@H]1CCCCN1C1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000431798497 477097431 /nfs/dbraw/zinc/09/74/31/477097431.db2.gz FJORBMFXKGLPOR-PKOBYXMFSA-N 1 3 333.520 2.728 20 0 EFADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000447947101 477099198 /nfs/dbraw/zinc/09/91/98/477099198.db2.gz APRMARSBLJBBGS-HOTGVXAUSA-N 1 3 340.556 2.772 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000447955470 477101523 /nfs/dbraw/zinc/10/15/23/477101523.db2.gz PGEOOWZGSKWAGQ-IKGGRYGDSA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000447955470 477101528 /nfs/dbraw/zinc/10/15/28/477101528.db2.gz PGEOOWZGSKWAGQ-IKGGRYGDSA-N 1 3 338.540 2.526 20 0 EFADHO CN1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000447962550 477103612 /nfs/dbraw/zinc/10/36/12/477103612.db2.gz APMFLTNOHKESDT-MRXNPFEDSA-N 1 3 338.540 2.669 20 0 EFADHO CN(C)CCN(Cc1ccco1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431851322 477107809 /nfs/dbraw/zinc/10/78/09/477107809.db2.gz NKQISXZJHIHAPQ-IBGZPJMESA-N 1 3 343.471 2.863 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431850728 477108916 /nfs/dbraw/zinc/10/89/16/477108916.db2.gz KNNUQIIWYORBFH-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2C2CCCC2)C1 ZINC000431850728 477108923 /nfs/dbraw/zinc/10/89/23/477108923.db2.gz KNNUQIIWYORBFH-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423706725 477116930 /nfs/dbraw/zinc/11/69/30/477116930.db2.gz CAKOPVCULRPHMU-LPHOPBHVSA-N 1 3 329.488 2.799 20 0 EFADHO COCCn1cc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000375990017 477119433 /nfs/dbraw/zinc/11/94/33/477119433.db2.gz WGEGQMMLNVRDAE-FQEVSTJZSA-N 1 3 342.487 2.531 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000448033114 477119861 /nfs/dbraw/zinc/11/98/61/477119861.db2.gz YNVFWRWCBAJEHQ-KRWDZBQOSA-N 1 3 338.540 2.528 20 0 EFADHO CC1CC[NH+](CCCNC(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000448033115 477121508 /nfs/dbraw/zinc/12/15/08/477121508.db2.gz YNVFWRWCBAJEHQ-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448042962 477121756 /nfs/dbraw/zinc/12/17/56/477121756.db2.gz LRGGFEIVAMAAQD-SJORKVTESA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2N(C)CCCC2(C)C)C1 ZINC000448042962 477121764 /nfs/dbraw/zinc/12/17/64/477121764.db2.gz LRGGFEIVAMAAQD-SJORKVTESA-N 1 3 338.540 2.526 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000423721227 477122678 /nfs/dbraw/zinc/12/26/78/477122678.db2.gz FGUNLSBOCBSXCS-KRWDZBQOSA-N 1 3 331.504 2.603 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000423721902 477122809 /nfs/dbraw/zinc/12/28/09/477122809.db2.gz CKSOQCGNKGZCAX-SPYBWZPUSA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000423726255 477124088 /nfs/dbraw/zinc/12/40/88/477124088.db2.gz JHJRMDHDSXNEDS-UKBAYJJMSA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000423726255 477124095 /nfs/dbraw/zinc/12/40/95/477124095.db2.gz JHJRMDHDSXNEDS-UKBAYJJMSA-N 1 3 329.488 2.593 20 0 EFADHO CC(C)[C@@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411144764 477127794 /nfs/dbraw/zinc/12/77/94/477127794.db2.gz QHNMEWHBIIPKGA-HXUWFJFHSA-N 1 3 331.504 2.962 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000423747328 477131818 /nfs/dbraw/zinc/13/18/18/477131818.db2.gz PCAHVTYMSFZTNT-QGZVFWFLSA-N 1 3 349.906 2.620 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000423748167 477132425 /nfs/dbraw/zinc/13/24/25/477132425.db2.gz ANENUVVYPBHLKL-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc2c(c1)CNC2 ZINC000423755126 477134867 /nfs/dbraw/zinc/13/48/67/477134867.db2.gz DHAARDNRVFNRHL-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO [NH3+][C@H]1CC[C@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000423762530 477136872 /nfs/dbraw/zinc/13/68/72/477136872.db2.gz SOVDLKSSFSJMGZ-WMZOPIPTSA-N 1 3 349.906 2.892 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)CC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423764356 477136944 /nfs/dbraw/zinc/13/69/44/477136944.db2.gz SSFCEUMHOKJXAS-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423769899 477137810 /nfs/dbraw/zinc/13/78/10/477137810.db2.gz COLSAYQPLQXWAD-OALUTQOASA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423772428 477139941 /nfs/dbraw/zinc/13/99/41/477139941.db2.gz KYRYLOCQMJMMKH-RCCFBDPRSA-N 1 3 349.906 2.695 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423789023 477144768 /nfs/dbraw/zinc/14/47/68/477144768.db2.gz YEDNIKKWDSWMJI-HYJFEMIMSA-N 1 3 329.488 2.531 20 0 EFADHO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[C@H](N)c1ccccc1)CC2 ZINC000423787104 477144953 /nfs/dbraw/zinc/14/49/53/477144953.db2.gz WGVLXOHQFPDWBZ-YSHGAJCASA-N 1 3 329.488 2.796 20 0 EFADHO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[C@H](N)c1ccccc1)CC2 ZINC000423787104 477144957 /nfs/dbraw/zinc/14/49/57/477144957.db2.gz WGVLXOHQFPDWBZ-YSHGAJCASA-N 1 3 329.488 2.796 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423789024 477145451 /nfs/dbraw/zinc/14/54/51/477145451.db2.gz YEDNIKKWDSWMJI-LBKNJMOBSA-N 1 3 329.488 2.531 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1C ZINC000448255732 477150909 /nfs/dbraw/zinc/15/09/09/477150909.db2.gz LGTFHKPKXRXWPQ-IXDOHACOSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2N(C)CCCC2(C)C)C[C@H]1C ZINC000448255732 477150916 /nfs/dbraw/zinc/15/09/16/477150916.db2.gz LGTFHKPKXRXWPQ-IXDOHACOSA-N 1 3 338.540 2.621 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448254485 477151445 /nfs/dbraw/zinc/15/14/45/477151445.db2.gz DXKMSDRZSUCQRP-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448254486 477151549 /nfs/dbraw/zinc/15/15/49/477151549.db2.gz DXKMSDRZSUCQRP-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1C ZINC000448255731 477151656 /nfs/dbraw/zinc/15/16/56/477151656.db2.gz LGTFHKPKXRXWPQ-IKGGRYGDSA-N 1 3 338.540 2.621 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2N(C)CCCC2(C)C)C[C@H]1C ZINC000448255731 477151664 /nfs/dbraw/zinc/15/16/64/477151664.db2.gz LGTFHKPKXRXWPQ-IKGGRYGDSA-N 1 3 338.540 2.621 20 0 EFADHO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258813 477152294 /nfs/dbraw/zinc/15/22/94/477152294.db2.gz YTQIOMNAVCRLIR-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448258813 477152299 /nfs/dbraw/zinc/15/22/99/477152299.db2.gz YTQIOMNAVCRLIR-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218264 477156992 /nfs/dbraw/zinc/15/69/92/477156992.db2.gz BQNBMFZRQWENDE-VQIMIIECSA-N 1 3 329.488 2.758 20 0 EFADHO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(CN2CCCCC2)c1 ZINC000411218264 477157001 /nfs/dbraw/zinc/15/70/01/477157001.db2.gz BQNBMFZRQWENDE-VQIMIIECSA-N 1 3 329.488 2.758 20 0 EFADHO C[C@H](Cc1coc2ccccc12)[NH2+]CCCN1CCCN(C)CC1 ZINC000453089295 477165362 /nfs/dbraw/zinc/16/53/62/477165362.db2.gz AQIMZBFFTKSERH-QGZVFWFLSA-N 1 3 329.488 2.981 20 0 EFADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCN1CCCN(C)CC1 ZINC000453089291 477165406 /nfs/dbraw/zinc/16/54/06/477165406.db2.gz AQIMZBFFTKSERH-KRWDZBQOSA-N 1 3 329.488 2.981 20 0 EFADHO O[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000453103522 477170748 /nfs/dbraw/zinc/17/07/48/477170748.db2.gz WQWMTJSWQCVDNE-YLFCFFPRSA-N 1 3 342.405 2.942 20 0 EFADHO CCOCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376097828 477173876 /nfs/dbraw/zinc/17/38/76/477173876.db2.gz ODLHKCRJIZJBDA-RTWAWAEBSA-N 1 3 346.515 2.762 20 0 EFADHO CCOCC[C@@H](O)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376097828 477173883 /nfs/dbraw/zinc/17/38/83/477173883.db2.gz ODLHKCRJIZJBDA-RTWAWAEBSA-N 1 3 346.515 2.762 20 0 EFADHO CC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccncc1 ZINC000453146440 477179514 /nfs/dbraw/zinc/17/95/14/477179514.db2.gz OLXLGRDFOILRIS-IBGZPJMESA-N 1 3 340.471 2.614 20 0 EFADHO OCCO[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411278614 477179919 /nfs/dbraw/zinc/17/99/19/477179919.db2.gz KCAMEXZYPAJZRC-HXUWFJFHSA-N 1 3 332.488 2.646 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423845972 477180919 /nfs/dbraw/zinc/18/09/19/477180919.db2.gz KWURVONTTATDLW-XFQXTVEOSA-N 1 3 344.503 2.631 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000457769225 477187830 /nfs/dbraw/zinc/18/78/30/477187830.db2.gz DZSAIBWGLYMAIP-UHFFFAOYSA-N 1 3 334.508 2.668 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)OC ZINC000453198209 477190022 /nfs/dbraw/zinc/19/00/22/477190022.db2.gz PBQFFQZMLFYLNO-NMLBUPMWSA-N 1 3 332.488 2.681 20 0 EFADHO COC[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)OC ZINC000453198209 477190027 /nfs/dbraw/zinc/19/00/27/477190027.db2.gz PBQFFQZMLFYLNO-NMLBUPMWSA-N 1 3 332.488 2.681 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453201503 477190263 /nfs/dbraw/zinc/19/02/63/477190263.db2.gz SCRRJFCKBMJYIU-PWRODBHTSA-N 1 3 338.499 2.995 20 0 EFADHO Cn1ccc(CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453201503 477190270 /nfs/dbraw/zinc/19/02/70/477190270.db2.gz SCRRJFCKBMJYIU-PWRODBHTSA-N 1 3 338.499 2.995 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCCN2CCCO[C@H](C)C2)CN1Cc1ccccc1 ZINC000366798374 477192916 /nfs/dbraw/zinc/19/29/16/477192916.db2.gz RXMQXMUMTHKZIV-ZVDOUQERSA-N 1 3 345.531 2.740 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423897818 477205837 /nfs/dbraw/zinc/20/58/37/477205837.db2.gz HQSMWIKBBJYKMU-GBESFXJTSA-N 1 3 329.488 2.627 20 0 EFADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423897818 477205843 /nfs/dbraw/zinc/20/58/43/477205843.db2.gz HQSMWIKBBJYKMU-GBESFXJTSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccc(OCCN(C)C)cc1 ZINC000453341409 477209230 /nfs/dbraw/zinc/20/92/30/477209230.db2.gz LMRXCXMEIKYIDL-JKSUJKDBSA-N 1 3 330.476 2.642 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000423904054 477210076 /nfs/dbraw/zinc/21/00/76/477210076.db2.gz NULIEEHSWYGLDR-QXAKKESOSA-N 1 3 333.520 2.759 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000423904054 477210082 /nfs/dbraw/zinc/21/00/82/477210082.db2.gz NULIEEHSWYGLDR-QXAKKESOSA-N 1 3 333.520 2.759 20 0 EFADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906268 477210941 /nfs/dbraw/zinc/21/09/41/477210941.db2.gz PWZFKONCWXXWMI-MOPGFXCFSA-N 1 3 341.499 2.771 20 0 EFADHO NC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423906268 477210948 /nfs/dbraw/zinc/21/09/48/477210948.db2.gz PWZFKONCWXXWMI-MOPGFXCFSA-N 1 3 341.499 2.771 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423908543 477211314 /nfs/dbraw/zinc/21/13/14/477211314.db2.gz SKLRWEUJNDBWJK-SMMRIJLZSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H](N)c1ccccc1 ZINC000423908543 477211324 /nfs/dbraw/zinc/21/13/24/477211324.db2.gz SKLRWEUJNDBWJK-SMMRIJLZSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H]1CN(CCC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCCO1 ZINC000432407822 477211342 /nfs/dbraw/zinc/21/13/42/477211342.db2.gz PODIAHIIAUBGIG-FPOVZHCZSA-N 1 3 345.531 2.742 20 0 EFADHO [NH3+]C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CCCC1 ZINC000423935836 477224409 /nfs/dbraw/zinc/22/44/09/477224409.db2.gz AXTIXIDUEADYPD-PKOBYXMFSA-N 1 3 347.478 2.671 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)cn1 ZINC000453412711 477224797 /nfs/dbraw/zinc/22/47/97/477224797.db2.gz WIKRKYBXQZYHIP-CEWLAPEOSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453412711 477224805 /nfs/dbraw/zinc/22/48/05/477224805.db2.gz WIKRKYBXQZYHIP-CEWLAPEOSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453412711 477224813 /nfs/dbraw/zinc/22/48/13/477224813.db2.gz WIKRKYBXQZYHIP-CEWLAPEOSA-N 1 3 336.483 2.828 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366864808 477228858 /nfs/dbraw/zinc/22/88/58/477228858.db2.gz LPYOCEJJZSYAPJ-GOSISDBHSA-N 1 3 329.488 2.624 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000423981288 477244055 /nfs/dbraw/zinc/24/40/55/477244055.db2.gz ZFEMFDGUQBSBGQ-IBGZPJMESA-N 1 3 325.456 2.958 20 0 EFADHO C[C@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423996972 477253396 /nfs/dbraw/zinc/25/33/96/477253396.db2.gz KUIAARGUGFZIKJ-HKUYNNGSSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)N1CCCCC1 ZINC000424009990 477259812 /nfs/dbraw/zinc/25/98/12/477259812.db2.gz KIHFJCYLCVUTBX-IPMKNSEASA-N 1 3 347.478 2.589 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424029763 477265753 /nfs/dbraw/zinc/26/57/53/477265753.db2.gz DOMFNACTYBZNTD-QRVBRYPASA-N 1 3 347.478 2.767 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000411610070 477293517 /nfs/dbraw/zinc/29/35/17/477293517.db2.gz MQKZRMAIWFPSRG-MOPGFXCFSA-N 1 3 329.488 2.513 20 0 EFADHO O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411611117 477293571 /nfs/dbraw/zinc/29/35/71/477293571.db2.gz CHQZBTHHMHPWRN-GOSISDBHSA-N 1 3 327.472 2.639 20 0 EFADHO CN(C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCN(C)CC1 ZINC000376352792 477294528 /nfs/dbraw/zinc/29/45/28/477294528.db2.gz MQUVSAOCWYCDPD-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)[C@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCSC1 ZINC000424134892 477302209 /nfs/dbraw/zinc/30/22/09/477302209.db2.gz OHVWJWZOSGRLPO-AEFFLSMTSA-N 1 3 341.565 2.618 20 0 EFADHO [NH3+]C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCCC1 ZINC000416789456 477312009 /nfs/dbraw/zinc/31/20/09/477312009.db2.gz SFYAIRGDLKDUIJ-RTBURBONSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000416792848 477312416 /nfs/dbraw/zinc/31/24/16/477312416.db2.gz MIGQJFIMIKQRJL-IBGZPJMESA-N 1 3 346.519 2.666 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000416791212 477312834 /nfs/dbraw/zinc/31/28/34/477312834.db2.gz WBVOTHHJKKRBAC-KRWDZBQOSA-N 1 3 332.492 2.640 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000416809447 477318980 /nfs/dbraw/zinc/31/89/80/477318980.db2.gz IHVPVRGZCNBEPE-LJQANCHMSA-N 1 3 342.487 2.871 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000416833112 477328406 /nfs/dbraw/zinc/32/84/06/477328406.db2.gz CFYDLGBDKBJJOV-CGTJXYLNSA-N 1 3 332.492 2.509 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000416838418 477331073 /nfs/dbraw/zinc/33/10/73/477331073.db2.gz JDJDAQMILPAIHZ-YTQUADARSA-N 1 3 346.519 2.981 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000416841407 477331948 /nfs/dbraw/zinc/33/19/48/477331948.db2.gz LYMVEFRBPCWLOM-VQIMIIECSA-N 1 3 346.519 2.838 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214493 477332120 /nfs/dbraw/zinc/33/21/20/477332120.db2.gz CRAATSNEWWJYLJ-IPMKNSEASA-N 1 3 343.515 2.744 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)N(C)C)cc1 ZINC000416845188 477334112 /nfs/dbraw/zinc/33/41/12/477334112.db2.gz RFIKLJGFNPHQMX-KXBFYZLASA-N 1 3 346.519 2.621 20 0 EFADHO CC(C)N(CCOCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411698527 477334495 /nfs/dbraw/zinc/33/44/95/477334495.db2.gz TYVVOKXZSSAOFU-UHFFFAOYSA-N 1 3 334.504 2.892 20 0 EFADHO CC(C)[N@H+](CCOCCO)Cc1cccc(CN2CCCCC2)c1 ZINC000411698527 477334498 /nfs/dbraw/zinc/33/44/98/477334498.db2.gz TYVVOKXZSSAOFU-UHFFFAOYSA-N 1 3 334.504 2.892 20 0 EFADHO CC(C)[N@@H+](CCOCCO)Cc1cccc(CN2CCCCC2)c1 ZINC000411698527 477334503 /nfs/dbraw/zinc/33/45/03/477334503.db2.gz TYVVOKXZSSAOFU-UHFFFAOYSA-N 1 3 334.504 2.892 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000434421545 477335860 /nfs/dbraw/zinc/33/58/60/477335860.db2.gz WWCDATAJUBTWTF-APWZRJJASA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000434421545 477335872 /nfs/dbraw/zinc/33/58/72/477335872.db2.gz WWCDATAJUBTWTF-APWZRJJASA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H](CC[NH3+])NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000416853391 477338559 /nfs/dbraw/zinc/33/85/59/477338559.db2.gz UGXKFUBFEQNJFM-HUUCEWRRSA-N 1 3 338.521 2.558 20 0 EFADHO CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)N(CC)CC ZINC000458297931 477340804 /nfs/dbraw/zinc/34/08/04/477340804.db2.gz SCCRXECLUQLWHI-MRXNPFEDSA-N 1 3 339.455 2.825 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000458302085 477341846 /nfs/dbraw/zinc/34/18/46/477341846.db2.gz XBTGZKZWCYLTSK-LJQANCHMSA-N 1 3 338.540 2.626 20 0 EFADHO CN(CCCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccccc1 ZINC000416871649 477346408 /nfs/dbraw/zinc/34/64/08/477346408.db2.gz KIOGKOOTDHKHHD-IYARVYRRSA-N 1 3 346.519 2.573 20 0 EFADHO CSc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424284732 477355074 /nfs/dbraw/zinc/35/50/74/477355074.db2.gz DWMQEDQTSUUEQU-CQSZACIVSA-N 1 3 333.501 2.811 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)N(Cc1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424285178 477355546 /nfs/dbraw/zinc/35/55/46/477355546.db2.gz FKORTUOQDMEGEJ-KRWDZBQOSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccc([C@H](C)NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424286120 477356754 /nfs/dbraw/zinc/35/67/54/477356754.db2.gz HAEHOMVGRBOFGH-MSOLQXFVSA-N 1 3 343.515 2.945 20 0 EFADHO C[C@H]1CC2(CN1CC(=O)N[C@@H](c1ccccc1)C1CC1)CC[NH2+]CC2 ZINC000424288663 477357268 /nfs/dbraw/zinc/35/72/68/477357268.db2.gz KXBDXTVFUBYDRZ-JXFKEZNVSA-N 1 3 341.499 2.718 20 0 EFADHO CC(C)N(C(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424292895 477358680 /nfs/dbraw/zinc/35/86/80/477358680.db2.gz OPXSKMVIHGHMOM-QGZVFWFLSA-N 1 3 329.488 2.892 20 0 EFADHO [NH3+]C[C@@H](CN1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303886 477362797 /nfs/dbraw/zinc/36/27/97/477362797.db2.gz PNKPYWROMWCYTF-WBVHZDCISA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303886 477362806 /nfs/dbraw/zinc/36/28/06/477362806.db2.gz PNKPYWROMWCYTF-WBVHZDCISA-N 1 3 328.435 2.697 20 0 EFADHO NC[C@@H](C[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000424303886 477362810 /nfs/dbraw/zinc/36/28/10/477362810.db2.gz PNKPYWROMWCYTF-WBVHZDCISA-N 1 3 328.435 2.697 20 0 EFADHO CSc1cccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424301504 477363150 /nfs/dbraw/zinc/36/31/50/477363150.db2.gz XKQPBEXZPDWRDK-CQSZACIVSA-N 1 3 333.501 2.811 20 0 EFADHO C[C@@H]1CC2(CN1CC(=O)NCCCC1CCCCC1)CC[NH2+]CC2 ZINC000424301537 477363700 /nfs/dbraw/zinc/36/37/00/477363700.db2.gz XOSDDKGHSXIWDI-QGZVFWFLSA-N 1 3 335.536 2.927 20 0 EFADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370014 477374366 /nfs/dbraw/zinc/37/43/66/477374366.db2.gz FYLGDDZVJVIVBT-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000458370014 477374372 /nfs/dbraw/zinc/37/43/72/477374372.db2.gz FYLGDDZVJVIVBT-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO COc1cc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000424371250 477381377 /nfs/dbraw/zinc/38/13/77/477381377.db2.gz DGJRUGUTSZMJLA-AWEZNQCLSA-N 1 3 334.460 2.676 20 0 EFADHO COc1ccc(CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1OC ZINC000424368576 477381949 /nfs/dbraw/zinc/38/19/49/477381949.db2.gz AOVUIIPFXXZUGY-AWEZNQCLSA-N 1 3 334.460 2.676 20 0 EFADHO C[C@H]1CC2(CN1Cc1ccnn1-c1ccc(F)cc1)CC[NH2+]CC2 ZINC000424375757 477382422 /nfs/dbraw/zinc/38/24/22/477382422.db2.gz JZYQUUCQZUDRBP-HNNXBMFYSA-N 1 3 328.435 2.975 20 0 EFADHO C[NH2+]CCCN1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000435877876 477385481 /nfs/dbraw/zinc/38/54/81/477385481.db2.gz VWRXYWMCUDRUDG-UHFFFAOYSA-N 1 3 329.410 2.823 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccsc1 ZINC000435905656 477390050 /nfs/dbraw/zinc/39/00/50/477390050.db2.gz GMWWQMGVWMJGTH-JFIYKMOQSA-N 1 3 335.517 2.637 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014069 477403961 /nfs/dbraw/zinc/40/39/61/477403961.db2.gz WEIUECRJOSONAZ-RTBURBONSA-N 1 3 332.488 2.591 20 0 EFADHO CCCC[C@@H](C[NH3+])NC(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000416984929 477405572 /nfs/dbraw/zinc/40/55/72/477405572.db2.gz YFPSMEKEQDBRQC-IBGZPJMESA-N 1 3 346.519 2.776 20 0 EFADHO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000424434364 477406325 /nfs/dbraw/zinc/40/63/25/477406325.db2.gz GPEIQZBLLSTRRH-GOSISDBHSA-N 1 3 338.455 2.850 20 0 EFADHO Cc1ccc(SCCN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000436054572 477412671 /nfs/dbraw/zinc/41/26/71/477412671.db2.gz HXBSXQWVOUZNTH-KRWDZBQOSA-N 1 3 349.544 2.715 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccsc1 ZINC000417006600 477419235 /nfs/dbraw/zinc/41/92/35/477419235.db2.gz JUSBOOQGRRBEOM-UKRRQHHQSA-N 1 3 326.510 2.558 20 0 EFADHO CC(C)[N@H+](C)CCCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070590 477419921 /nfs/dbraw/zinc/41/99/21/477419921.db2.gz DJHWGXQCUQOWPP-OAHLLOKOSA-N 1 3 326.506 2.514 20 0 EFADHO CC(C)[N@@H+](C)CCCNC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070590 477419926 /nfs/dbraw/zinc/41/99/26/477419926.db2.gz DJHWGXQCUQOWPP-OAHLLOKOSA-N 1 3 326.506 2.514 20 0 EFADHO CC(C)N(C)CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449070590 477419933 /nfs/dbraw/zinc/41/99/33/477419933.db2.gz DJHWGXQCUQOWPP-OAHLLOKOSA-N 1 3 326.506 2.514 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccsc1 ZINC000417011312 477420820 /nfs/dbraw/zinc/42/08/20/477420820.db2.gz RMCGPSKZLBYCGF-IIAWOOMASA-N 1 3 338.521 2.510 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417010954 477421069 /nfs/dbraw/zinc/42/10/69/477421069.db2.gz QULODGCJDVEEQH-FVQBIDKESA-N 1 3 338.521 2.558 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccsc1 ZINC000417011294 477421405 /nfs/dbraw/zinc/42/14/05/477421405.db2.gz RLDJOOFJDZBZJL-CWRNSKLLSA-N 1 3 338.521 2.571 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)c1ccsc1 ZINC000417014108 477423679 /nfs/dbraw/zinc/42/36/79/477423679.db2.gz ZLAYGBHQKOBZQL-CVEARBPZSA-N 1 3 340.537 2.804 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000412414242 477425835 /nfs/dbraw/zinc/42/58/35/477425835.db2.gz HFQJOLJCYJMVQB-MRXNPFEDSA-N 1 3 325.522 2.805 20 0 EFADHO O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417021758 477427575 /nfs/dbraw/zinc/42/75/75/477427575.db2.gz KDSKCEOCJSWQED-RBUKOAKNSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@@H]1CSC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449087699 477430570 /nfs/dbraw/zinc/43/05/70/477430570.db2.gz GNMCLNXDYPOAMV-QUCCMNQESA-N 1 3 347.572 2.926 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417033135 477434077 /nfs/dbraw/zinc/43/40/77/477434077.db2.gz RKFYCFCCHBNHJT-SJLPKXTDSA-N 1 3 332.492 2.640 20 0 EFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000417046541 477440509 /nfs/dbraw/zinc/44/05/09/477440509.db2.gz ZKINAKZQECRZHY-PKOBYXMFSA-N 1 3 344.503 2.512 20 0 EFADHO Cc1cccc(CC[NH2+]CCCN2CCN(c3ccncc3)CC2)c1 ZINC000449106695 477442188 /nfs/dbraw/zinc/44/21/88/477442188.db2.gz IWJSYSOFMCKNGI-UHFFFAOYSA-N 1 3 338.499 2.734 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105866 477442360 /nfs/dbraw/zinc/44/23/60/477442360.db2.gz JOMDAJVMHNWDII-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105866 477442365 /nfs/dbraw/zinc/44/23/65/477442365.db2.gz JOMDAJVMHNWDII-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@H+]1CCC[C@@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105866 477442370 /nfs/dbraw/zinc/44/23/70/477442370.db2.gz JOMDAJVMHNWDII-CVEARBPZSA-N 1 3 338.517 2.515 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1)C(C)C ZINC000458488474 477447151 /nfs/dbraw/zinc/44/71/51/477447151.db2.gz FSWWVKVRXMFMNJ-QGZVFWFLSA-N 1 3 338.540 2.621 20 0 EFADHO Fc1cccc2[nH]c(C[NH2+]C3CCN(C[C@H]4CCOC4)CC3)cc21 ZINC000436252946 477450026 /nfs/dbraw/zinc/45/00/26/477450026.db2.gz KQDWLNZTJZRNDB-CQSZACIVSA-N 1 3 331.435 2.898 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)N2CCCC2)cc1 ZINC000436285285 477456559 /nfs/dbraw/zinc/45/65/59/477456559.db2.gz DIGVGUVZUXIMHJ-SFHLNBCPSA-N 1 3 341.499 2.638 20 0 EFADHO CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H](O)[C@@H]2CCOC2)CC1 ZINC000449155331 477462150 /nfs/dbraw/zinc/46/21/50/477462150.db2.gz BEGZUDCWENASPS-NVXWUHKLSA-N 1 3 326.525 2.653 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000449161086 477463272 /nfs/dbraw/zinc/46/32/72/477463272.db2.gz DPMKCXYTHWBPTQ-QAPCUYQASA-N 1 3 346.519 2.747 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172468 477470088 /nfs/dbraw/zinc/47/00/88/477470088.db2.gz MGSNVJXMVCDKGJ-PVAVHDDUSA-N 1 3 338.517 2.656 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172468 477470090 /nfs/dbraw/zinc/47/00/90/477470090.db2.gz MGSNVJXMVCDKGJ-PVAVHDDUSA-N 1 3 338.517 2.656 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000418340951 477470646 /nfs/dbraw/zinc/47/06/46/477470646.db2.gz CYKQYZKZVVYWSJ-JCGIZDLHSA-N 1 3 332.492 2.579 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000418355096 477472548 /nfs/dbraw/zinc/47/25/48/477472548.db2.gz OZAFXAPEBVLIQN-MSOLQXFVSA-N 1 3 334.508 2.825 20 0 EFADHO C[NH2+]C[C@H](C)CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418372091 477472643 /nfs/dbraw/zinc/47/26/43/477472643.db2.gz SNCRSWWTBDZXCB-SCTDSRPQSA-N 1 3 346.519 2.536 20 0 EFADHO CSCC[C@H](CO)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449182600 477475270 /nfs/dbraw/zinc/47/52/70/477475270.db2.gz BRHQZGHCCDEXKZ-VQIMIIECSA-N 1 3 336.545 2.786 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458560581 477481176 /nfs/dbraw/zinc/48/11/76/477481176.db2.gz CANNMGZNLHRXNF-QZTJIDSGSA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000458560581 477481184 /nfs/dbraw/zinc/48/11/84/477481184.db2.gz CANNMGZNLHRXNF-QZTJIDSGSA-N 1 3 338.540 2.621 20 0 EFADHO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCN(C)CC1 ZINC000367382045 477482942 /nfs/dbraw/zinc/48/29/42/477482942.db2.gz OLFFQADKSZCDEI-RDJZCZTQSA-N 1 3 337.508 2.874 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](C)Cc2coc3ccccc23)CC1 ZINC000449219794 477492567 /nfs/dbraw/zinc/49/25/67/477492567.db2.gz ODAZGMMFCVNOKO-QGZVFWFLSA-N 1 3 329.488 2.981 20 0 EFADHO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C1 ZINC000449224336 477494890 /nfs/dbraw/zinc/49/48/90/477494890.db2.gz LLGQUUAHEUVVHB-GJYPPUQNSA-N 1 3 331.504 2.892 20 0 EFADHO CO[C@@H](CC(C)C)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419244238 477496099 /nfs/dbraw/zinc/49/60/99/477496099.db2.gz UIDUFFLTGDGXNJ-IBGZPJMESA-N 1 3 325.541 2.538 20 0 EFADHO COc1cc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413066512 477497112 /nfs/dbraw/zinc/49/71/12/477497112.db2.gz VYEBMXOLMQUSGB-KGLIPLIRSA-N 1 3 327.428 2.713 20 0 EFADHO COc1cc2nccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413066512 477497119 /nfs/dbraw/zinc/49/71/19/477497119.db2.gz VYEBMXOLMQUSGB-KGLIPLIRSA-N 1 3 327.428 2.713 20 0 EFADHO CC[NH+](CC)CCOCCNCc1ccc2c(c1)OCCCCO2 ZINC000449240737 477503592 /nfs/dbraw/zinc/50/35/92/477503592.db2.gz ZYJWZEWXGPXHHF-UHFFFAOYSA-N 1 3 336.476 2.686 20 0 EFADHO C[C@@H](Cc1coc2ccccc12)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449304358 477534332 /nfs/dbraw/zinc/53/43/32/477534332.db2.gz OHIMVRVXIKSACG-INIZCTEOSA-N 1 3 329.488 2.979 20 0 EFADHO CN(Cc1ccccc1)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)C1CC1 ZINC000458685520 477545542 /nfs/dbraw/zinc/54/55/42/477545542.db2.gz VDTOBCLFMKDGSG-GOSISDBHSA-N 1 3 346.519 2.536 20 0 EFADHO CN(C)CC1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCC1 ZINC000419691438 477555635 /nfs/dbraw/zinc/55/56/35/477555635.db2.gz WKGHCACJTRJYAF-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000458777499 477589546 /nfs/dbraw/zinc/58/95/46/477589546.db2.gz QLBGYIRMKSTTIQ-WMZOPIPTSA-N 1 3 346.519 2.851 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000450383707 477591741 /nfs/dbraw/zinc/59/17/41/477591741.db2.gz AKBVONUZJGGHFX-QZTJIDSGSA-N 1 3 338.879 2.781 20 0 EFADHO CN(Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000450383707 477591747 /nfs/dbraw/zinc/59/17/47/477591747.db2.gz AKBVONUZJGGHFX-QZTJIDSGSA-N 1 3 338.879 2.781 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001447 477592490 /nfs/dbraw/zinc/59/24/90/477592490.db2.gz DBJRSHRHQUBRRP-KVPLUYHFSA-N 1 3 341.499 2.592 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425001447 477592498 /nfs/dbraw/zinc/59/24/98/477592498.db2.gz DBJRSHRHQUBRRP-KVPLUYHFSA-N 1 3 341.499 2.592 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425001968 477593579 /nfs/dbraw/zinc/59/35/79/477593579.db2.gz DSVBPYLNMFNDNN-NZSAHSFTSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000458786608 477596658 /nfs/dbraw/zinc/59/66/58/477596658.db2.gz XFOVAHPAWKNDCO-QXAKKESOSA-N 1 3 346.519 2.802 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000458786608 477596665 /nfs/dbraw/zinc/59/66/65/477596665.db2.gz XFOVAHPAWKNDCO-QXAKKESOSA-N 1 3 346.519 2.802 20 0 EFADHO C[NH+]1CCC(N2CC[C@@H](N[C@@H](c3ncc[nH]3)C3CCCCC3)C2)CC1 ZINC000367611206 477598561 /nfs/dbraw/zinc/59/85/61/477598561.db2.gz AVTDMQWTBRTJFY-IEBWSBKVSA-N 1 3 345.535 2.789 20 0 EFADHO Cc1c[nH+]ccc1N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000367732547 477662693 /nfs/dbraw/zinc/66/26/93/477662693.db2.gz ATBDMCHTYQHROO-FQEVSTJZSA-N 1 3 336.483 2.787 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000420298564 477671822 /nfs/dbraw/zinc/67/18/22/477671822.db2.gz HQWMHMFVUGWJBA-ROUUACIJSA-N 1 3 334.529 2.669 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000420298564 477671829 /nfs/dbraw/zinc/67/18/29/477671829.db2.gz HQWMHMFVUGWJBA-ROUUACIJSA-N 1 3 334.529 2.669 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCSC2(CCCCC2)C1 ZINC000420298564 477671831 /nfs/dbraw/zinc/67/18/31/477671831.db2.gz HQWMHMFVUGWJBA-ROUUACIJSA-N 1 3 334.529 2.669 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311417 477681747 /nfs/dbraw/zinc/68/17/47/477681747.db2.gz VVBKLQDTFJXSKN-WIYYLYMNSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311417 477681751 /nfs/dbraw/zinc/68/17/51/477681751.db2.gz VVBKLQDTFJXSKN-WIYYLYMNSA-N 1 3 340.467 2.719 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN(CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420311417 477681756 /nfs/dbraw/zinc/68/17/56/477681756.db2.gz VVBKLQDTFJXSKN-WIYYLYMNSA-N 1 3 340.467 2.719 20 0 EFADHO CN(CC[C@@H]1CCC[NH2+]C1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420317973 477687723 /nfs/dbraw/zinc/68/77/23/477687723.db2.gz NNARWABFOUMODK-HNAYVOBHSA-N 1 3 330.451 2.970 20 0 EFADHO Fc1ccc(CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420318227 477688638 /nfs/dbraw/zinc/68/86/38/477688638.db2.gz NVURFJLJUNLELW-CQSZACIVSA-N 1 3 325.859 2.596 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320859 477690620 /nfs/dbraw/zinc/69/06/20/477690620.db2.gz QKRHZSRWVBCMQJ-QZTJIDSGSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320859 477690630 /nfs/dbraw/zinc/69/06/30/477690630.db2.gz QKRHZSRWVBCMQJ-QZTJIDSGSA-N 1 3 328.460 2.580 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000420320859 477690634 /nfs/dbraw/zinc/69/06/34/477690634.db2.gz QKRHZSRWVBCMQJ-QZTJIDSGSA-N 1 3 328.460 2.580 20 0 EFADHO COc1cccc([C@H](C)N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420321688 477690847 /nfs/dbraw/zinc/69/08/47/477690847.db2.gz RLWQITAZAIYAIH-ZWKOTPCHSA-N 1 3 331.504 2.764 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1 ZINC000420323578 477693115 /nfs/dbraw/zinc/69/31/15/477693115.db2.gz GDPRHSGSLDCUNX-IIDMSEBBSA-N 1 3 347.890 2.767 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000420326214 477693897 /nfs/dbraw/zinc/69/38/97/477693897.db2.gz WYCVBBGLQGTMAO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000420326214 477693900 /nfs/dbraw/zinc/69/39/00/477693900.db2.gz WYCVBBGLQGTMAO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000420326214 477693906 /nfs/dbraw/zinc/69/39/06/477693906.db2.gz WYCVBBGLQGTMAO-HKBOAZHASA-N 1 3 342.458 2.764 20 0 EFADHO Cc1cc(C)cc(OCCCN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326073 477694158 /nfs/dbraw/zinc/69/41/58/477694158.db2.gz JENJLQANNIGTOE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cc(C)cc(OCCC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420326073 477694163 /nfs/dbraw/zinc/69/41/63/477694163.db2.gz JENJLQANNIGTOE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO Cc1cc(C)cc(OCCC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)c1 ZINC000420326073 477694170 /nfs/dbraw/zinc/69/41/70/477694170.db2.gz JENJLQANNIGTOE-SFHVURJKSA-N 1 3 332.488 2.760 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCCC1CCCCC1 ZINC000420325091 477694664 /nfs/dbraw/zinc/69/46/64/477694664.db2.gz HZHUDZHUTNDEHR-RBUKOAKNSA-N 1 3 335.536 2.785 20 0 EFADHO COCC[N@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000420326747 477696581 /nfs/dbraw/zinc/69/65/81/477696581.db2.gz XNYBQZNKEXKJEU-YYWHXJBOSA-N 1 3 342.483 2.627 20 0 EFADHO COCC[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000420326747 477696589 /nfs/dbraw/zinc/69/65/89/477696589.db2.gz XNYBQZNKEXKJEU-YYWHXJBOSA-N 1 3 342.483 2.627 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H](C)CN(C)C ZINC000425952482 477701471 /nfs/dbraw/zinc/70/14/71/477701471.db2.gz PGCQZTWKXVVEOL-STQMWFEESA-N 1 3 341.883 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)NC[C@H](C)C[NH+](C)C ZINC000425952482 477701477 /nfs/dbraw/zinc/70/14/77/477701477.db2.gz PGCQZTWKXVVEOL-STQMWFEESA-N 1 3 341.883 2.853 20 0 EFADHO COc1ccc(-c2noc([C@H](C)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420332363 477702770 /nfs/dbraw/zinc/70/27/70/477702770.db2.gz JDGUISHPCGYRDI-CWRNSKLLSA-N 1 3 342.443 2.738 20 0 EFADHO CC[C@@H](NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1 ZINC000420333158 477702964 /nfs/dbraw/zinc/70/29/64/477702964.db2.gz JZGBJZLDIRRIMV-SOLBZPMBSA-N 1 3 349.906 2.839 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420334952 477703825 /nfs/dbraw/zinc/70/38/25/477703825.db2.gz GYGNLLVYPQIXGV-NZSAHSFTSA-N 1 3 329.488 2.528 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1 ZINC000420333901 477704477 /nfs/dbraw/zinc/70/44/77/477704477.db2.gz TXVRYYFQMAWHFQ-JENIJYKNSA-N 1 3 327.472 2.504 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334352 477705151 /nfs/dbraw/zinc/70/51/51/477705151.db2.gz GGVMQKYIGWORLU-VQTJNVASSA-N 1 3 343.515 2.529 20 0 EFADHO Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337924 477706971 /nfs/dbraw/zinc/70/69/71/477706971.db2.gz KHQQKKCNUFBEME-OKZBNKHCSA-N 1 3 329.488 2.952 20 0 EFADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340029 477708610 /nfs/dbraw/zinc/70/86/10/477708610.db2.gz MJZKWIPCWASPAA-NZSAHSFTSA-N 1 3 341.499 2.676 20 0 EFADHO [NH3+]C[C@@H]1CN(CCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420340026 477709652 /nfs/dbraw/zinc/70/96/52/477709652.db2.gz ZPVGAHBRAPWPLT-GOSISDBHSA-N 1 3 340.467 2.906 20 0 EFADHO CCN(C(=O)[C@H](C)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344443 477711765 /nfs/dbraw/zinc/71/17/65/477711765.db2.gz SYCMIIWXZVWLSF-OKZBNKHCSA-N 1 3 329.488 2.750 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345799 477713568 /nfs/dbraw/zinc/71/35/68/477713568.db2.gz WRRJNHHMQAAHJH-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(F)c(N2CCC[C@H](N3CC[C@H]4C[NH2+]C[C@H]4CC3)C2=O)c1 ZINC000420345117 477713978 /nfs/dbraw/zinc/71/39/78/477713978.db2.gz VHWCHMOWNFDVHI-JZXOWHBKSA-N 1 3 345.462 2.561 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000372257321 477717718 /nfs/dbraw/zinc/71/77/18/477717718.db2.gz ZYFPFQNNCAMDAS-AWEZNQCLSA-N 1 3 341.297 2.767 20 0 EFADHO CC1(C)CNCC[C@@H]1[NH2+]CCOc1ccccc1Br ZINC000420359201 477719402 /nfs/dbraw/zinc/71/94/02/477719402.db2.gz JNOKPKKLIQWTPO-AWEZNQCLSA-N 1 3 327.266 2.806 20 0 EFADHO [NH3+]C[C@H](NCCC(=O)N1CCc2sccc2C1)C1CCCCC1 ZINC000420365371 477723243 /nfs/dbraw/zinc/72/32/43/477723243.db2.gz LBQCYWTUQXXTIX-INIZCTEOSA-N 1 3 335.517 2.520 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000459062202 477724226 /nfs/dbraw/zinc/72/42/26/477724226.db2.gz QFBMNQDZUVFZBV-AYHJJNSGSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000459062202 477724233 /nfs/dbraw/zinc/72/42/33/477724233.db2.gz QFBMNQDZUVFZBV-AYHJJNSGSA-N 1 3 336.524 2.519 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1ccc(Cl)cc1F ZINC000420369952 477726471 /nfs/dbraw/zinc/72/64/71/477726471.db2.gz VKLHBLRZXIXPBB-CQSZACIVSA-N 1 3 327.831 2.785 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000420369952 477726479 /nfs/dbraw/zinc/72/64/79/477726479.db2.gz VKLHBLRZXIXPBB-CQSZACIVSA-N 1 3 327.831 2.785 20 0 EFADHO Cc1ccc(S(=O)(=O)CCCN[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420370732 477729249 /nfs/dbraw/zinc/72/92/49/477729249.db2.gz PBTPYJAYBXDQCW-GOSISDBHSA-N 1 3 338.517 2.656 20 0 EFADHO CCOc1ccccc1CN1CCN(CC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000420371177 477729469 /nfs/dbraw/zinc/72/94/69/477729469.db2.gz KHYBGLAIMQFAKV-ZWKOTPCHSA-N 1 3 331.504 2.591 20 0 EFADHO COC[C@H](Cc1ccccc1)N(C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420377891 477733174 /nfs/dbraw/zinc/73/31/74/477733174.db2.gz SSLRBMSCURYDCN-PMACEKPBSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420377891 477733177 /nfs/dbraw/zinc/73/31/77/477733177.db2.gz SSLRBMSCURYDCN-PMACEKPBSA-N 1 3 342.483 2.927 20 0 EFADHO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420377891 477733182 /nfs/dbraw/zinc/73/31/82/477733182.db2.gz SSLRBMSCURYDCN-PMACEKPBSA-N 1 3 342.483 2.927 20 0 EFADHO CCOC(=O)[C@]1(C(C)C)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420378793 477734549 /nfs/dbraw/zinc/73/45/49/477734549.db2.gz UPPGMOITHQUXDO-FXAWDEMLSA-N 1 3 348.487 2.649 20 0 EFADHO CCOc1ccc(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000420378637 477735533 /nfs/dbraw/zinc/73/55/33/477735533.db2.gz MLECRIJULKAFQG-UXHICEINSA-N 1 3 348.487 2.682 20 0 EFADHO NC[C@H]1C[N@H+](CCCCOc2cccc(C(F)(F)F)c2)CCCO1 ZINC000420390425 477742149 /nfs/dbraw/zinc/74/21/49/477742149.db2.gz NHCSGRCCCPXJNR-INIZCTEOSA-N 1 3 346.393 2.914 20 0 EFADHO NC[C@H]1C[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)CCCO1 ZINC000420390425 477742156 /nfs/dbraw/zinc/74/21/56/477742156.db2.gz NHCSGRCCCPXJNR-INIZCTEOSA-N 1 3 346.393 2.914 20 0 EFADHO CCc1cccc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420390732 477742766 /nfs/dbraw/zinc/74/27/66/477742766.db2.gz ZSGGNRAGOXAAQS-WOJBJXKFSA-N 1 3 332.488 2.846 20 0 EFADHO C[C@@H]1CCN(CCC(=O)Nc2ccc(Cl)cc2F)C[C@@H]1C[NH3+] ZINC000420399832 477749363 /nfs/dbraw/zinc/74/93/63/477749363.db2.gz IGHXWNVAFUSHDL-NEPJUHHUSA-N 1 3 327.831 2.724 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000420404328 477750829 /nfs/dbraw/zinc/75/08/29/477750829.db2.gz NBUAADHBNDGPFY-UHFFFAOYSA-N 1 3 344.430 2.690 20 0 EFADHO CC[C@@H](C(=O)N(CC[NH+](CC)CC)Cc1cccs1)N(C)C ZINC000413626434 477757375 /nfs/dbraw/zinc/75/73/75/477757375.db2.gz LYPJSTHEYRUYNW-INIZCTEOSA-N 1 3 325.522 2.759 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437806493 477758353 /nfs/dbraw/zinc/75/83/53/477758353.db2.gz YLOMZQNPTQYHSG-ATZDWAIDSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437806493 477758358 /nfs/dbraw/zinc/75/83/58/477758358.db2.gz YLOMZQNPTQYHSG-ATZDWAIDSA-N 1 3 348.535 2.565 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1)CC1CC1 ZINC000426948130 477761529 /nfs/dbraw/zinc/76/15/29/477761529.db2.gz KHVAOQCQAUDXCX-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1)CC1CC1 ZINC000426948130 477761534 /nfs/dbraw/zinc/76/15/34/477761534.db2.gz KHVAOQCQAUDXCX-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO O=C(CN1CC[C@@H](C2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000372340838 477762448 /nfs/dbraw/zinc/76/24/48/477762448.db2.gz VQRYARLVGXAIGH-HXUWFJFHSA-N 1 3 341.499 2.631 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCN1C ZINC000455865212 477770263 /nfs/dbraw/zinc/77/02/63/477770263.db2.gz UIPOPMBCQMFIGR-JEBQAFNWSA-N 1 3 330.476 2.840 20 0 EFADHO CCCN1CCN(c2ccccc2CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000438021081 477787146 /nfs/dbraw/zinc/78/71/46/477787146.db2.gz DYIOICCPNINDNJ-BGYRXZFFSA-N 1 3 342.531 2.545 20 0 EFADHO CCN(CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000455948250 477789719 /nfs/dbraw/zinc/78/97/19/477789719.db2.gz XXZQGPSQKSNPGI-GOSISDBHSA-N 1 3 330.476 2.841 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420874025 477796937 /nfs/dbraw/zinc/79/69/37/477796937.db2.gz YHMPJUCGLZKAOW-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000420874025 477796942 /nfs/dbraw/zinc/79/69/42/477796942.db2.gz YHMPJUCGLZKAOW-ZWKOTPCHSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)CS1 ZINC000368461562 477807645 /nfs/dbraw/zinc/80/76/45/477807645.db2.gz JHIUVBVYMVXVAQ-SJLPKXTDSA-N 1 3 325.566 2.665 20 0 EFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000438347154 477830427 /nfs/dbraw/zinc/83/04/27/477830427.db2.gz MYNTWOFLDIJDDB-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438347154 477830432 /nfs/dbraw/zinc/83/04/32/477830432.db2.gz MYNTWOFLDIJDDB-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1ccoc1 ZINC000428232695 477848145 /nfs/dbraw/zinc/84/81/45/477848145.db2.gz VPPAIHHZOUDCSD-WMZOPIPTSA-N 1 3 335.492 2.934 20 0 EFADHO C[C@H]1C[N@H+](CCc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000459333089 477849549 /nfs/dbraw/zinc/84/95/49/477849549.db2.gz AKYBJYUQMJGSHK-LPHOPBHVSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000459333089 477849556 /nfs/dbraw/zinc/84/95/56/477849556.db2.gz AKYBJYUQMJGSHK-LPHOPBHVSA-N 1 3 335.923 2.840 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451189949 477867044 /nfs/dbraw/zinc/86/70/44/477867044.db2.gz SKPNCHVRDSDAHB-FUHIMQAGSA-N 1 3 343.515 2.853 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000461017417 477872096 /nfs/dbraw/zinc/87/20/96/477872096.db2.gz SDYRCMMHLYTCKI-BZUAXINKSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000461017417 477872107 /nfs/dbraw/zinc/87/21/07/477872107.db2.gz SDYRCMMHLYTCKI-BZUAXINKSA-N 1 3 338.496 2.737 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)cc1F ZINC000558459092 477872779 /nfs/dbraw/zinc/87/27/79/477872779.db2.gz ZHYFTQYTFJPMAO-UHFFFAOYSA-N 1 3 344.862 2.745 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOc3cccc(F)c3)CC2)CC1 ZINC000420981713 477875357 /nfs/dbraw/zinc/87/53/57/477875357.db2.gz NODHXGURLBFSJV-UHFFFAOYSA-N 1 3 349.494 2.697 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOc3cccc(F)c3)CC2)CC1 ZINC000420981713 477875362 /nfs/dbraw/zinc/87/53/62/477875362.db2.gz NODHXGURLBFSJV-UHFFFAOYSA-N 1 3 349.494 2.697 20 0 EFADHO CC[NH+]1CCC(N2CCCN(CCOc3cccc(F)c3)CC2)CC1 ZINC000420981713 477875370 /nfs/dbraw/zinc/87/53/70/477875370.db2.gz NODHXGURLBFSJV-UHFFFAOYSA-N 1 3 349.494 2.697 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1SC ZINC000459382375 477875473 /nfs/dbraw/zinc/87/54/73/477875473.db2.gz DNRCEFIWRXEWHG-RCCFBDPRSA-N 1 3 338.517 2.626 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@H](O)COc1cccc2[nH]ccc21)C(C)(C)C ZINC000558504071 477881073 /nfs/dbraw/zinc/88/10/73/477881073.db2.gz ZCKNUPFGAYCETQ-HNAYVOBHSA-N 1 3 347.503 2.864 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3sc(C)nc3C)CC2)CC1 ZINC000420986809 477881236 /nfs/dbraw/zinc/88/12/36/477881236.db2.gz ZCXIVROWVVNJHM-UHFFFAOYSA-N 1 3 336.549 2.752 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000459393939 477885021 /nfs/dbraw/zinc/88/50/21/477885021.db2.gz WJLURBOJCVVKDN-ZWKOTPCHSA-N 1 3 331.504 2.733 20 0 EFADHO COCCN(C)CC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000459413064 477895433 /nfs/dbraw/zinc/89/54/33/477895433.db2.gz SHPXEBMLUHDOJV-OAQYLSRUSA-N 1 3 345.531 2.912 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000462017780 477895371 /nfs/dbraw/zinc/89/53/71/477895371.db2.gz XKOGSIOTDSOMFY-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000462017780 477895382 /nfs/dbraw/zinc/89/53/82/477895382.db2.gz XKOGSIOTDSOMFY-QGZVFWFLSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@]1(CN2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000516181774 477902582 /nfs/dbraw/zinc/90/25/82/477902582.db2.gz VRDPOJYYMUGJPD-XLIONFOSSA-N 1 3 347.478 2.544 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C)[NH+](CC)CC ZINC000494070919 477914912 /nfs/dbraw/zinc/91/49/12/477914912.db2.gz ZHKZGVRIKWWQTC-QXAKKESOSA-N 1 3 331.504 2.886 20 0 EFADHO CC(C)C1CCC([NH+]2CCN(CCN3CCCOCC3)CC2)CC1 ZINC000463108763 477928035 /nfs/dbraw/zinc/92/80/35/477928035.db2.gz UVWDPLJCTAOQKS-UHFFFAOYSA-N 1 3 337.552 2.541 20 0 EFADHO C[C@@H]1C[C@H]1[N@@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486939 477932438 /nfs/dbraw/zinc/93/24/38/477932438.db2.gz GOASTSVIHQVEAE-VURPSTOHSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(Cc3ccccc3)C2)C[C@@H](C)C1 ZINC000459486939 477932446 /nfs/dbraw/zinc/93/24/46/477932446.db2.gz GOASTSVIHQVEAE-VURPSTOHSA-N 1 3 327.516 2.923 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@@H]2CCCN2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494148959 477933102 /nfs/dbraw/zinc/93/31/02/477933102.db2.gz UHMSIRWNVWDCFF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CCCN2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494148959 477933103 /nfs/dbraw/zinc/93/31/03/477933103.db2.gz UHMSIRWNVWDCFF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC000532485085 477934453 /nfs/dbraw/zinc/93/44/53/477934453.db2.gz QYPWKEPWTUDZQG-GUYCJALGSA-N 1 3 335.879 2.504 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158584 477936933 /nfs/dbraw/zinc/93/69/33/477936933.db2.gz CPOGXSFEGZQSPV-INIZCTEOSA-N 1 3 325.497 2.707 20 0 EFADHO C[N@H+]1CCC[C@H]1CCN1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158584 477936937 /nfs/dbraw/zinc/93/69/37/477936937.db2.gz CPOGXSFEGZQSPV-INIZCTEOSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000494158584 477936940 /nfs/dbraw/zinc/93/69/40/477936940.db2.gz CPOGXSFEGZQSPV-INIZCTEOSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1ccc(C[C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459497730 477938085 /nfs/dbraw/zinc/93/80/85/477938085.db2.gz UARQAJXGWOHTAM-IBGZPJMESA-N 1 3 325.456 2.552 20 0 EFADHO Cc1ccccc1C[C@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459514316 477948765 /nfs/dbraw/zinc/94/87/65/477948765.db2.gz SUSGRDNDLOXWMU-LJQANCHMSA-N 1 3 325.456 2.552 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494264422 477955124 /nfs/dbraw/zinc/95/51/24/477955124.db2.gz GZEJQVYNPJZBKU-CALCHBBNSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494264422 477955135 /nfs/dbraw/zinc/95/51/35/477955135.db2.gz GZEJQVYNPJZBKU-CALCHBBNSA-N 1 3 335.536 2.735 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000465458086 477976727 /nfs/dbraw/zinc/97/67/27/477976727.db2.gz YMABPXVMSIMODW-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000465458086 477976737 /nfs/dbraw/zinc/97/67/37/477976737.db2.gz YMABPXVMSIMODW-RCCFBDPRSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000465860285 477991277 /nfs/dbraw/zinc/99/12/77/477991277.db2.gz CQZWKPJCNMOZIL-BZSNNMDCSA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000465860285 477991282 /nfs/dbraw/zinc/99/12/82/477991282.db2.gz CQZWKPJCNMOZIL-BZSNNMDCSA-N 1 3 338.540 2.623 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2ccc(C(F)(F)F)s2)CC1 ZINC000428859246 477996539 /nfs/dbraw/zinc/99/65/39/477996539.db2.gz ZHPPPFOMGXHUHX-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@@H+]1C ZINC000466033883 477999157 /nfs/dbraw/zinc/99/91/57/477999157.db2.gz DEEAPMRZNLLEFN-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC2CCCCC2)CC[N@H+]1C ZINC000466033883 477999162 /nfs/dbraw/zinc/99/91/62/477999162.db2.gz DEEAPMRZNLLEFN-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682415 478039119 /nfs/dbraw/zinc/03/91/19/478039119.db2.gz YOFZPCAPWIUYAR-UXHICEINSA-N 1 3 343.515 2.855 20 0 EFADHO CN1CCC(Nc2ccccc2NC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494672875 478040490 /nfs/dbraw/zinc/04/04/90/478040490.db2.gz IOMFJUGMRNMHHE-HNNXBMFYSA-N 1 3 330.476 2.663 20 0 EFADHO O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000456681983 478042402 /nfs/dbraw/zinc/04/24/02/478042402.db2.gz JEZLBMUQSLPONV-IBGZPJMESA-N 1 3 333.520 2.917 20 0 EFADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421354290 478049176 /nfs/dbraw/zinc/04/91/76/478049176.db2.gz VXLNDDYJHJWHNL-DWRORGKVSA-N 1 3 335.536 2.911 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NC2(C)CC[NH2+]CC2)CC1 ZINC000517099743 478051346 /nfs/dbraw/zinc/05/13/46/478051346.db2.gz CLAGAVKGKLTDAJ-INIZCTEOSA-N 1 3 344.503 2.653 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533272657 478060636 /nfs/dbraw/zinc/06/06/36/478060636.db2.gz LHYLJOCTWQXKRP-UHFFFAOYSA-N 1 3 342.487 2.930 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000533272657 478060642 /nfs/dbraw/zinc/06/06/42/478060642.db2.gz LHYLJOCTWQXKRP-UHFFFAOYSA-N 1 3 342.487 2.930 20 0 EFADHO C[N@@H+]1CCC[C@H](CCNCc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000459731498 478063280 /nfs/dbraw/zinc/06/32/80/478063280.db2.gz FEMFLCDSSHLBEO-MRXNPFEDSA-N 1 3 330.451 2.892 20 0 EFADHO C[N@H+]1CCC[C@H](CCNCc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000459731498 478063289 /nfs/dbraw/zinc/06/32/89/478063289.db2.gz FEMFLCDSSHLBEO-MRXNPFEDSA-N 1 3 330.451 2.892 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1)C1CC1 ZINC000429150515 478068456 /nfs/dbraw/zinc/06/84/56/478068456.db2.gz OTEZKDPYCZPWJO-YJBOKZPZSA-N 1 3 329.488 2.870 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000440076348 478069996 /nfs/dbraw/zinc/06/99/96/478069996.db2.gz SHXQYXXRWLMOHF-IRXDYDNUSA-N 1 3 340.556 2.725 20 0 EFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2N2CCN(CC)CC2)CCO1 ZINC000421395569 478071421 /nfs/dbraw/zinc/07/14/21/478071421.db2.gz YVIPBDCUFSXXQC-RTBURBONSA-N 1 3 331.504 2.876 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N(CCN(C)C)C(C)C)[NH+]1CCCC1 ZINC000440199668 478089819 /nfs/dbraw/zinc/08/98/19/478089819.db2.gz CQUQFQVTGVMRRD-SFHVURJKSA-N 1 3 340.556 2.869 20 0 EFADHO CCC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCC1 ZINC000459791060 478094232 /nfs/dbraw/zinc/09/42/32/478094232.db2.gz HFFUBXAHVQJATB-MOPGFXCFSA-N 1 3 331.504 2.964 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c(-n2cc(Cl)cn2)n1 ZINC000517553791 478101678 /nfs/dbraw/zinc/10/16/78/478101678.db2.gz WQZYZYDRKOMUER-JKSUJKDBSA-N 1 3 333.867 2.979 20 0 EFADHO C[C@H](CC(N)=O)[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000560515376 478101923 /nfs/dbraw/zinc/10/19/23/478101923.db2.gz OAXNLDYPCFOMAE-XGXHKWSGSA-N 1 3 329.488 2.531 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000517783680 478123438 /nfs/dbraw/zinc/12/34/38/478123438.db2.gz VEXYMFHVNPKCQA-KRWDZBQOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)cc1F ZINC000517783680 478123442 /nfs/dbraw/zinc/12/34/42/478123442.db2.gz VEXYMFHVNPKCQA-KRWDZBQOSA-N 1 3 325.447 2.813 20 0 EFADHO C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H](C[NH3+])C1CC1 ZINC000517892611 478129616 /nfs/dbraw/zinc/12/96/16/478129616.db2.gz ZEOVDFNSAPXCAE-HZMBPMFUSA-N 1 3 329.366 2.749 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429476297 478140470 /nfs/dbraw/zinc/14/04/70/478140470.db2.gz XOFSUUDAVCZQMF-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO C[C@H]([NH3+])c1ccc(CNC(=O)c2ccccc2OCCN(C)C)cc1 ZINC000429483819 478141510 /nfs/dbraw/zinc/14/15/10/478141510.db2.gz NZLNNWNWLZFNCF-HNNXBMFYSA-N 1 3 341.455 2.577 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccsc3)CC2)C1 ZINC000560979482 478143182 /nfs/dbraw/zinc/14/31/82/478143182.db2.gz OVXBBIXCSZUWCB-IRXDYDNUSA-N 1 3 346.500 2.857 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168319 478146789 /nfs/dbraw/zinc/14/67/89/478146789.db2.gz DMWGCNAAWPLBDS-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168319 478146795 /nfs/dbraw/zinc/14/67/95/478146795.db2.gz DMWGCNAAWPLBDS-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000518168319 478146800 /nfs/dbraw/zinc/14/68/00/478146800.db2.gz DMWGCNAAWPLBDS-YFVAEKQCSA-N 1 3 346.515 2.763 20 0 EFADHO CC(C)[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CS1 ZINC000488425189 478148133 /nfs/dbraw/zinc/14/81/33/478148133.db2.gz TUUNJHWGODYVKJ-MHORFTMASA-N 1 3 326.550 2.874 20 0 EFADHO CN1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccccc1 ZINC000561060227 478149235 /nfs/dbraw/zinc/14/92/35/478149235.db2.gz GREYZVNDQYKKSN-RTBURBONSA-N 1 3 336.439 2.857 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000561333012 478177918 /nfs/dbraw/zinc/17/79/18/478177918.db2.gz MGFLGSQSFQROQF-UHFFFAOYSA-N 1 3 333.451 2.961 20 0 EFADHO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCN(C2CCCC2)CC1 ZINC000495378333 478184625 /nfs/dbraw/zinc/18/46/25/478184625.db2.gz YOPMAGBKDIQQLX-CQSZACIVSA-N 1 3 325.497 2.896 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441058405 478191290 /nfs/dbraw/zinc/19/12/90/478191290.db2.gz SJQJEFIJHFGYND-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000441058405 478191291 /nfs/dbraw/zinc/19/12/91/478191291.db2.gz SJQJEFIJHFGYND-JFIYKMOQSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000561626052 478196457 /nfs/dbraw/zinc/19/64/57/478196457.db2.gz PIPUQTKTDGQNQB-RTBURBONSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000561626052 478196462 /nfs/dbraw/zinc/19/64/62/478196462.db2.gz PIPUQTKTDGQNQB-RTBURBONSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(C)C)cc1 ZINC000561626047 478196700 /nfs/dbraw/zinc/19/67/00/478196700.db2.gz PIPUQTKTDGQNQB-MOPGFXCFSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(C)C)cc1 ZINC000561626047 478196704 /nfs/dbraw/zinc/19/67/04/478196704.db2.gz PIPUQTKTDGQNQB-MOPGFXCFSA-N 1 3 331.504 2.556 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488908778 478198503 /nfs/dbraw/zinc/19/85/03/478198503.db2.gz KWMPTZGUFSLIHS-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC000488908778 478198507 /nfs/dbraw/zinc/19/85/07/478198507.db2.gz KWMPTZGUFSLIHS-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CCC[NH+](C)C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000561970241 478210540 /nfs/dbraw/zinc/21/05/40/478210540.db2.gz ARAARCKSFSGQQT-UHFFFAOYSA-N 1 3 332.536 2.601 20 0 EFADHO C[C@@H](CCNC(=O)Nc1ccc2c(c1)CNCCO2)[NH+]1CCCCC1 ZINC000519115314 478210608 /nfs/dbraw/zinc/21/06/08/478210608.db2.gz YTOXQAJGSNQMHO-HNNXBMFYSA-N 1 3 346.475 2.555 20 0 EFADHO C[C@@H](CN1CC[C@H](O)CC(C)(C)C1)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812004 478213078 /nfs/dbraw/zinc/21/30/78/478213078.db2.gz PYNHESHNWWBDNM-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CC[C@H](O)CC(C)(C)C1)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451812004 478213081 /nfs/dbraw/zinc/21/30/81/478213081.db2.gz PYNHESHNWWBDNM-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CC[C@@H](O)CC(C)(C)C1)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812004 478213083 /nfs/dbraw/zinc/21/30/83/478213083.db2.gz PYNHESHNWWBDNM-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CC[C@@H](O)CC(C)(C)C1)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451812004 478213086 /nfs/dbraw/zinc/21/30/86/478213086.db2.gz PYNHESHNWWBDNM-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)N(CC)CC)cc1 ZINC000562190474 478218357 /nfs/dbraw/zinc/21/83/57/478218357.db2.gz POXNYABNMWTVMM-MOPGFXCFSA-N 1 3 331.504 2.700 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)N(CC)CC)cc1 ZINC000562190474 478218362 /nfs/dbraw/zinc/21/83/62/478218362.db2.gz POXNYABNMWTVMM-MOPGFXCFSA-N 1 3 331.504 2.700 20 0 EFADHO CSC1(CN[C@@H](c2nc[nH]n2)C2CCCCC2)CC[NH+](C)CC1 ZINC000562340852 478235106 /nfs/dbraw/zinc/23/51/06/478235106.db2.gz XHPVOPJDOKBHDP-OAHLLOKOSA-N 1 3 337.537 2.843 20 0 EFADHO Cn1cc([C@H]2OCCC[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000519631845 478243173 /nfs/dbraw/zinc/24/31/73/478243173.db2.gz AMQFLIOLAQDQFQ-FUMNGEBKSA-N 1 3 340.471 2.723 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@@H]21 ZINC000495616163 478246212 /nfs/dbraw/zinc/24/62/12/478246212.db2.gz DFQZBIGXOAIITJ-SQNIBIBYSA-N 1 3 329.444 2.606 20 0 EFADHO C[N@H+]1CC[C@H](NCc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@@H]21 ZINC000495616163 478246216 /nfs/dbraw/zinc/24/62/16/478246216.db2.gz DFQZBIGXOAIITJ-SQNIBIBYSA-N 1 3 329.444 2.606 20 0 EFADHO CN1CC[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)[C@H]2CCC[C@@H]21 ZINC000495616163 478246219 /nfs/dbraw/zinc/24/62/19/478246219.db2.gz DFQZBIGXOAIITJ-SQNIBIBYSA-N 1 3 329.444 2.606 20 0 EFADHO CCCc1cc(N[C@H](C)CN2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000562467613 478253546 /nfs/dbraw/zinc/25/35/46/478253546.db2.gz PIZCXQZDGXAKSB-MRXNPFEDSA-N 1 3 326.488 2.657 20 0 EFADHO CN1CC=C(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000495680310 478264711 /nfs/dbraw/zinc/26/47/11/478264711.db2.gz SLUSEYSBWLQLLV-UHFFFAOYSA-N 1 3 337.508 2.921 20 0 EFADHO OC[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000579341968 478272766 /nfs/dbraw/zinc/27/27/66/478272766.db2.gz HYCXGRNAKZBOFK-BJLQDIEVSA-N 1 3 330.472 2.773 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000579349896 478276056 /nfs/dbraw/zinc/27/60/56/478276056.db2.gz ZCZHEEGEBDJSRY-UTKZUKDTSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@@H](NC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000579349896 478276066 /nfs/dbraw/zinc/27/60/66/478276066.db2.gz ZCZHEEGEBDJSRY-UTKZUKDTSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000579349897 478276092 /nfs/dbraw/zinc/27/60/92/478276092.db2.gz ZCZHEEGEBDJSRY-UWJYYQICSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](NC1CC1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000579349897 478276098 /nfs/dbraw/zinc/27/60/98/478276098.db2.gz ZCZHEEGEBDJSRY-UWJYYQICSA-N 1 3 341.499 2.642 20 0 EFADHO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000536855603 478277187 /nfs/dbraw/zinc/27/71/87/478277187.db2.gz AYFJTMAFMVBFJE-RBUKOAKNSA-N 1 3 331.504 2.892 20 0 EFADHO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000536855604 478277424 /nfs/dbraw/zinc/27/74/24/478277424.db2.gz AYFJTMAFMVBFJE-RTBURBONSA-N 1 3 331.504 2.892 20 0 EFADHO COCc1ccccc1/C=C(/C)C[NH2+]CCCCN1CCN(C)CC1 ZINC000570066175 478278225 /nfs/dbraw/zinc/27/82/25/478278225.db2.gz UIWQLDWBAMQKSK-MNDPQUGUSA-N 1 3 345.531 2.854 20 0 EFADHO CCCN(CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCc2ccccc21 ZINC000520172104 478278820 /nfs/dbraw/zinc/27/88/20/478278820.db2.gz SYDKKELBBQXQFY-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCC[C@H]1C ZINC000520201140 478282700 /nfs/dbraw/zinc/28/27/00/478282700.db2.gz BJQLUZXKSXMBFC-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCC[C@H]1C ZINC000520201140 478282705 /nfs/dbraw/zinc/28/27/05/478282705.db2.gz BJQLUZXKSXMBFC-IAGOWNOFSA-N 1 3 338.540 2.765 20 0 EFADHO Cc1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)ccc1I ZINC000579373632 478283023 /nfs/dbraw/zinc/28/30/23/478283023.db2.gz AGWCBLNWXYSART-CHWSQXEVSA-N 1 3 344.240 2.959 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1=CCN(C)CC1 ZINC000537308641 478297841 /nfs/dbraw/zinc/29/78/41/478297841.db2.gz UNQQIDZRFQLQOG-HNNXBMFYSA-N 1 3 349.906 2.929 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N(CCC)CCN2CCCC2)CC1 ZINC000490228198 478323288 /nfs/dbraw/zinc/32/32/88/478323288.db2.gz ZYQXKMBHWMINOQ-UHFFFAOYSA-N 1 3 338.540 2.768 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000594301245 478324103 /nfs/dbraw/zinc/32/41/03/478324103.db2.gz YNHZNBBQRINTFM-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CC1CCN([C@H](CNC(=O)CC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000570292851 478331312 /nfs/dbraw/zinc/33/13/12/478331312.db2.gz RIOFNPRPRSJQDE-LJQANCHMSA-N 1 3 329.488 2.718 20 0 EFADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000579623850 478343861 /nfs/dbraw/zinc/34/38/61/478343861.db2.gz ALLQAOUGWTWQEK-INIZCTEOSA-N 1 3 337.533 2.808 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000562768136 478344890 /nfs/dbraw/zinc/34/48/90/478344890.db2.gz GKGWOZREDQTRFZ-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000562768136 478344897 /nfs/dbraw/zinc/34/48/97/478344897.db2.gz GKGWOZREDQTRFZ-CABCVRRESA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000562768138 478344946 /nfs/dbraw/zinc/34/49/46/478344946.db2.gz GKGWOZREDQTRFZ-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000562768138 478344955 /nfs/dbraw/zinc/34/49/55/478344955.db2.gz GKGWOZREDQTRFZ-HUUCEWRRSA-N 1 3 330.476 2.574 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000490499081 478345854 /nfs/dbraw/zinc/34/58/54/478345854.db2.gz MXAXFWPMGPKHDT-VDGAXYAQSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000490499081 478345862 /nfs/dbraw/zinc/34/58/62/478345862.db2.gz MXAXFWPMGPKHDT-VDGAXYAQSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3)CC1 ZINC000562769267 478345960 /nfs/dbraw/zinc/34/59/60/478345960.db2.gz JOVZVPHZELJSDO-UHFFFAOYSA-N 1 3 348.466 2.856 20 0 EFADHO COC[C@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc(Cl)cc1 ZINC000570381469 478347391 /nfs/dbraw/zinc/34/73/91/478347391.db2.gz UFTKQGDAQUNILC-SFHVURJKSA-N 1 3 339.911 2.645 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000562811878 478357574 /nfs/dbraw/zinc/35/75/74/478357574.db2.gz VRBYGHAGZZTURN-AOIWGVFYSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000562811878 478357581 /nfs/dbraw/zinc/35/75/81/478357581.db2.gz VRBYGHAGZZTURN-AOIWGVFYSA-N 1 3 346.519 2.535 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000562809650 478357742 /nfs/dbraw/zinc/35/77/42/478357742.db2.gz OWBKMSJQNKUPBM-YTQUADARSA-N 1 3 344.503 2.562 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CCCC2)c1C ZINC000570443991 478360004 /nfs/dbraw/zinc/36/00/04/478360004.db2.gz HVBHBIGOIFPSFT-DNVCBOLYSA-N 1 3 334.504 2.673 20 0 EFADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C2CC2)cc1 ZINC000562825173 478362954 /nfs/dbraw/zinc/36/29/54/478362954.db2.gz SKFHCZVVIGWDAO-INIZCTEOSA-N 1 3 346.519 2.760 20 0 EFADHO Cc1ccc(CN2CC[C@H](C[N@@H+](C)Cc3ccnc(N)c3)C2)s1 ZINC000562901603 478376715 /nfs/dbraw/zinc/37/67/15/478376715.db2.gz ORZGYNMCSQMHMJ-MRXNPFEDSA-N 1 3 330.501 2.988 20 0 EFADHO Cc1ccc(CN2CC[C@H](C[N@H+](C)Cc3ccnc(N)c3)C2)s1 ZINC000562901603 478376719 /nfs/dbraw/zinc/37/67/19/478376719.db2.gz ORZGYNMCSQMHMJ-MRXNPFEDSA-N 1 3 330.501 2.988 20 0 EFADHO CCN1CC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875818 478380200 /nfs/dbraw/zinc/38/02/00/478380200.db2.gz MPVQKRRPFQDFBF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875818 478380205 /nfs/dbraw/zinc/38/02/05/478380205.db2.gz MPVQKRRPFQDFBF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@@H](CN[C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000495875818 478380209 /nfs/dbraw/zinc/38/02/09/478380209.db2.gz MPVQKRRPFQDFBF-PMPSAXMXSA-N 1 3 325.497 2.706 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000581654965 478410999 /nfs/dbraw/zinc/41/09/99/478410999.db2.gz FRNYHCBIWQDVFZ-OALUTQOASA-N 1 3 340.471 2.795 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1)N1CCCCC1 ZINC000563014646 478417427 /nfs/dbraw/zinc/41/74/27/478417427.db2.gz ZWFVODAHHVZYGW-DOTOQJQBSA-N 1 3 340.895 2.934 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccsc1 ZINC000581873536 478456510 /nfs/dbraw/zinc/45/65/10/478456510.db2.gz XOEGTQBGWSAKCQ-GDBMZVCRSA-N 1 3 338.521 2.511 20 0 EFADHO C[C@H](CNC[C@H](O)Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCCC1 ZINC000570836746 478459093 /nfs/dbraw/zinc/45/90/93/478459093.db2.gz LBTGIRPEPYSPTG-RHSMWYFYSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H](C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CN1CCCC1 ZINC000570836746 478459103 /nfs/dbraw/zinc/45/91/03/478459103.db2.gz LBTGIRPEPYSPTG-RHSMWYFYSA-N 1 3 344.421 2.930 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000570836052 478459709 /nfs/dbraw/zinc/45/97/09/478459709.db2.gz AZMZKLUOQCENIR-IDCJVQTKSA-N 1 3 340.895 2.851 20 0 EFADHO C[C@H](OC[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000570836052 478459713 /nfs/dbraw/zinc/45/97/13/478459713.db2.gz AZMZKLUOQCENIR-IDCJVQTKSA-N 1 3 340.895 2.851 20 0 EFADHO C[N@@H+]1CCCN(CCCNCc2c(F)ccc(F)c2Cl)CC1 ZINC000527654591 478463768 /nfs/dbraw/zinc/46/37/68/478463768.db2.gz SDETXEBPYVDZOT-UHFFFAOYSA-N 1 3 331.838 2.735 20 0 EFADHO C[N@H+]1CCCN(CCCNCc2c(F)ccc(F)c2Cl)CC1 ZINC000527654591 478463777 /nfs/dbraw/zinc/46/37/77/478463777.db2.gz SDETXEBPYVDZOT-UHFFFAOYSA-N 1 3 331.838 2.735 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000563192649 478475549 /nfs/dbraw/zinc/47/55/49/478475549.db2.gz GKXZJHNVUQYDBB-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000563192649 478475557 /nfs/dbraw/zinc/47/55/57/478475557.db2.gz GKXZJHNVUQYDBB-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000496026680 478489256 /nfs/dbraw/zinc/48/92/56/478489256.db2.gz OLBANSWTLXOZMC-QKPAOTATSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000496026680 478489265 /nfs/dbraw/zinc/48/92/65/478489265.db2.gz OLBANSWTLXOZMC-QKPAOTATSA-N 1 3 325.497 2.752 20 0 EFADHO C[NH+](C)C1CCC(NCc2ncc(Br)cc2F)CC1 ZINC000527717778 478491392 /nfs/dbraw/zinc/49/13/92/478491392.db2.gz BYTMDPYFFJIBDI-UHFFFAOYSA-N 1 3 330.245 2.946 20 0 EFADHO C[NH+](C)C[C@H]1CCN(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496037470 478496347 /nfs/dbraw/zinc/49/63/47/478496347.db2.gz XCALWFIRLLPDIU-HZPDHXFCSA-N 1 3 325.497 2.517 20 0 EFADHO CC(C)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000563370678 478535590 /nfs/dbraw/zinc/53/55/90/478535590.db2.gz YMKINHANOJFFRG-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000563370678 478535595 /nfs/dbraw/zinc/53/55/95/478535595.db2.gz YMKINHANOJFFRG-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(C2CCCC2)CC1)COCc1ccccc1 ZINC000582236307 478546459 /nfs/dbraw/zinc/54/64/59/478546459.db2.gz MMTMHRYHSRLXPW-FQEVSTJZSA-N 1 3 332.488 2.561 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3=CCCCC3)CC2)CC1 ZINC000563393032 478546517 /nfs/dbraw/zinc/54/65/17/478546517.db2.gz SUGFLOSKDXXQSZ-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442341 478554050 /nfs/dbraw/zinc/55/40/50/478554050.db2.gz JIKUFOIIGZJDST-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442341 478554057 /nfs/dbraw/zinc/55/40/57/478554057.db2.gz JIKUFOIIGZJDST-RBUKOAKNSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000591442327 478554139 /nfs/dbraw/zinc/55/41/39/478554139.db2.gz JIKUFOIIGZJDST-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000591442327 478554142 /nfs/dbraw/zinc/55/41/42/478554142.db2.gz JIKUFOIIGZJDST-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO C[C@@H]1CC[N@H+](CCCN2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496149432 478570411 /nfs/dbraw/zinc/57/04/11/478570411.db2.gz WFNIOZUXMRGPST-SJORKVTESA-N 1 3 339.524 2.955 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCN2CCCC2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496149432 478570418 /nfs/dbraw/zinc/57/04/18/478570418.db2.gz WFNIOZUXMRGPST-SJORKVTESA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)[NH2+]CCCNC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496161439 478579464 /nfs/dbraw/zinc/57/94/64/478579464.db2.gz MXXWKTKPVVOUGV-UHFFFAOYSA-N 1 3 333.476 2.765 20 0 EFADHO CC(C)NCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496161439 478579474 /nfs/dbraw/zinc/57/94/74/478579474.db2.gz MXXWKTKPVVOUGV-UHFFFAOYSA-N 1 3 333.476 2.765 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000563545956 478583360 /nfs/dbraw/zinc/58/33/60/478583360.db2.gz XIDBIWRFPQWFSH-YTQUADARSA-N 1 3 344.503 2.592 20 0 EFADHO CCC[C@@H](N[C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1)c1ccccn1 ZINC000591566694 478583953 /nfs/dbraw/zinc/58/39/53/478583953.db2.gz KTXNRSGSXJXYNI-DOTOQJQBSA-N 1 3 333.476 2.834 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000563598101 478596391 /nfs/dbraw/zinc/59/63/91/478596391.db2.gz NQFCERRQUPLQFA-AZUAARDMSA-N 1 3 344.503 2.547 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000563598101 478596395 /nfs/dbraw/zinc/59/63/95/478596395.db2.gz NQFCERRQUPLQFA-AZUAARDMSA-N 1 3 344.503 2.547 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000563598104 478596885 /nfs/dbraw/zinc/59/68/85/478596885.db2.gz NQFCERRQUPLQFA-UYAOXDASSA-N 1 3 344.503 2.547 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000563598104 478596895 /nfs/dbraw/zinc/59/68/95/478596895.db2.gz NQFCERRQUPLQFA-UYAOXDASSA-N 1 3 344.503 2.547 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(CC2CC2)C1)CC(C)C ZINC000594967924 478609176 /nfs/dbraw/zinc/60/91/76/478609176.db2.gz RAZMUXHWVATLHW-ROUUACIJSA-N 1 3 338.540 2.526 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000582485164 478610505 /nfs/dbraw/zinc/61/05/05/478610505.db2.gz XYFRHDIYIUCOJZ-QFBILLFUSA-N 1 3 343.515 2.890 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CNCc3ccccc32)C1 ZINC000582485164 478610510 /nfs/dbraw/zinc/61/05/10/478610510.db2.gz XYFRHDIYIUCOJZ-QFBILLFUSA-N 1 3 343.515 2.890 20 0 EFADHO CCN(C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000571535315 478621269 /nfs/dbraw/zinc/62/12/69/478621269.db2.gz MGYHJYDEBLJQDY-RTBURBONSA-N 1 3 334.504 2.573 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3C[C@@]3(C)C(C)C)CC2)CC1 ZINC000563897698 478659038 /nfs/dbraw/zinc/65/90/38/478659038.db2.gz UAPJOYWLQBOMMY-ICSRJNTNSA-N 1 3 335.536 2.734 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H]3C[C@]3(C)C(C)C)CC2)CC1 ZINC000563897700 478659743 /nfs/dbraw/zinc/65/97/43/478659743.db2.gz UAPJOYWLQBOMMY-UYAOXDASSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1c(Br)cccc1CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000582677976 478660548 /nfs/dbraw/zinc/66/05/48/478660548.db2.gz ZBODMACMTASPHB-CORIIIEPSA-N 1 3 327.266 2.599 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717437 478667816 /nfs/dbraw/zinc/66/78/16/478667816.db2.gz SKFVDOAGCZSYIF-LNLFQRSKSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000582717437 478667818 /nfs/dbraw/zinc/66/78/18/478667818.db2.gz SKFVDOAGCZSYIF-LNLFQRSKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(OCCN(C)C)c2)C1 ZINC000601121575 478669049 /nfs/dbraw/zinc/66/90/49/478669049.db2.gz YQAOVJAZUQYMBM-QGZVFWFLSA-N 1 3 348.491 2.621 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000563956898 478675153 /nfs/dbraw/zinc/67/51/53/478675153.db2.gz AJJVSKLEYFUOEI-IEBWSBKVSA-N 1 3 329.488 2.532 20 0 EFADHO COC(=O)c1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c[nH]1 ZINC000601137960 478681296 /nfs/dbraw/zinc/68/12/96/478681296.db2.gz LBOBTAKWVATSRF-MAUKXSAKSA-N 1 3 341.455 2.659 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000582779536 478681240 /nfs/dbraw/zinc/68/12/40/478681240.db2.gz RCZKTHZGPRMNFP-SFTDATJTSA-N 1 3 347.466 2.909 20 0 EFADHO O[C@@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780052 478682730 /nfs/dbraw/zinc/68/27/30/478682730.db2.gz DXPOQNRYNXXIPK-JXFKEZNVSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780052 478682735 /nfs/dbraw/zinc/68/27/35/478682735.db2.gz DXPOQNRYNXXIPK-JXFKEZNVSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc2ccccc2c1 ZINC000582780052 478682740 /nfs/dbraw/zinc/68/27/40/478682740.db2.gz DXPOQNRYNXXIPK-JXFKEZNVSA-N 1 3 340.467 2.653 20 0 EFADHO CN(C)C(=O)CCCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000564096933 478694169 /nfs/dbraw/zinc/69/41/69/478694169.db2.gz SMDXMFWXTCFXON-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO CN(C)C(=O)CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000564096933 478694173 /nfs/dbraw/zinc/69/41/73/478694173.db2.gz SMDXMFWXTCFXON-NRFANRHFSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868853 478694903 /nfs/dbraw/zinc/69/49/03/478694903.db2.gz XVDJIOHFTIVWIN-HBFSDRIKSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](C)C1 ZINC000571868853 478694909 /nfs/dbraw/zinc/69/49/09/478694909.db2.gz XVDJIOHFTIVWIN-HBFSDRIKSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1CN1CC[C@H](O)C1)C1CCOCC1 ZINC000542845965 478699578 /nfs/dbraw/zinc/69/95/78/478699578.db2.gz GORAYPVRLGNDJL-VQTJNVASSA-N 1 3 332.488 2.548 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000582958641 478727154 /nfs/dbraw/zinc/72/71/54/478727154.db2.gz KLFKEMWKEUCUME-XUVXKRRUSA-N 1 3 331.504 2.527 20 0 EFADHO CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000582972685 478732234 /nfs/dbraw/zinc/73/22/34/478732234.db2.gz HYDFCFGWMWKQBU-LJQANCHMSA-N 1 3 329.488 2.725 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000564444617 478742846 /nfs/dbraw/zinc/74/28/46/478742846.db2.gz QKGIMCQICHJWOA-KRWDZBQOSA-N 1 3 338.467 2.556 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2C[C@H](C)C[C@H]2C)CC1 ZINC000564505967 478751215 /nfs/dbraw/zinc/75/12/15/478751215.db2.gz OZZIQYQWXICORF-SJLPKXTDSA-N 1 3 343.515 2.806 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498210324 478754902 /nfs/dbraw/zinc/75/49/02/478754902.db2.gz OHGFJRXMXYWDOD-NEWSRXKRSA-N 1 3 331.504 2.921 20 0 EFADHO CCCC[C@H](N)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498210324 478754907 /nfs/dbraw/zinc/75/49/07/478754907.db2.gz OHGFJRXMXYWDOD-NEWSRXKRSA-N 1 3 331.504 2.921 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCCN3CCCC3=O)C2)s1 ZINC000583148873 478777361 /nfs/dbraw/zinc/77/73/61/478777361.db2.gz RWSIEGRNLAJJEI-KRWDZBQOSA-N 1 3 349.544 2.823 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCCN3CCCC3=O)C2)s1 ZINC000583148873 478777367 /nfs/dbraw/zinc/77/73/67/478777367.db2.gz RWSIEGRNLAJJEI-KRWDZBQOSA-N 1 3 349.544 2.823 20 0 EFADHO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749158 478779994 /nfs/dbraw/zinc/77/99/94/478779994.db2.gz YBBPGMNVZVYCNN-MSOLQXFVSA-N 1 3 345.531 2.810 20 0 EFADHO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000543749158 478780001 /nfs/dbraw/zinc/78/00/01/478780001.db2.gz YBBPGMNVZVYCNN-MSOLQXFVSA-N 1 3 345.531 2.810 20 0 EFADHO C[C@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000583193021 478787927 /nfs/dbraw/zinc/78/79/27/478787927.db2.gz KWDSFGNIHFYIQF-YTQUADARSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)OCC[C@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000583257784 478804756 /nfs/dbraw/zinc/80/47/56/478804756.db2.gz AKAFJYDDKNMIFD-KRWDZBQOSA-N 1 3 340.533 2.726 20 0 EFADHO COCCN(C)c1ccc(CN2CCC(C[N@H+](C)C(C)C)CC2)cn1 ZINC000564824246 478823186 /nfs/dbraw/zinc/82/31/86/478823186.db2.gz DQERFUNAUDDWIS-UHFFFAOYSA-N 1 3 348.535 2.716 20 0 EFADHO COCCN(C)c1ccc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cn1 ZINC000564824246 478823190 /nfs/dbraw/zinc/82/31/90/478823190.db2.gz DQERFUNAUDDWIS-UHFFFAOYSA-N 1 3 348.535 2.716 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccccc2Cl)CC1 ZINC000564843180 478827877 /nfs/dbraw/zinc/82/78/77/478827877.db2.gz BCRUSRGQGVHPDU-HNNXBMFYSA-N 1 3 340.895 2.932 20 0 EFADHO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000564848808 478830539 /nfs/dbraw/zinc/83/05/39/478830539.db2.gz ZODNXLLHBZKSCO-OALUTQOASA-N 1 3 334.504 2.753 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000503007101 478834161 /nfs/dbraw/zinc/83/41/61/478834161.db2.gz ZDNJYBAKPABHOP-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCN(C)CC[C@H]2C)C1 ZINC000503007101 478834167 /nfs/dbraw/zinc/83/41/67/478834167.db2.gz ZDNJYBAKPABHOP-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000564861454 478838573 /nfs/dbraw/zinc/83/85/73/478838573.db2.gz AHLNCYYRCRQPJJ-SFHVURJKSA-N 1 3 334.504 2.755 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)CC[C@H]1C)c1ccccc1 ZINC000503770646 478845938 /nfs/dbraw/zinc/84/59/38/478845938.db2.gz AGAYIKIGHONXKB-IAGOWNOFSA-N 1 3 346.519 2.851 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000564915730 478858948 /nfs/dbraw/zinc/85/89/48/478858948.db2.gz BPBCGGCGWSKXCZ-FHWLQOOXSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000564915730 478858952 /nfs/dbraw/zinc/85/89/52/478858952.db2.gz BPBCGGCGWSKXCZ-FHWLQOOXSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583498494 478866089 /nfs/dbraw/zinc/86/60/89/478866089.db2.gz XJNAMZDBLLHDEL-KXBFYZLASA-N 1 3 343.515 2.716 20 0 EFADHO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000583498491 478866252 /nfs/dbraw/zinc/86/62/52/478866252.db2.gz XJNAMZDBLLHDEL-BEFAXECRSA-N 1 3 343.515 2.716 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)/C=C\CN(C)C)C[N@@H+]1Cc1ccccc1 ZINC000492208807 478875819 /nfs/dbraw/zinc/87/58/19/478875819.db2.gz PFHVMTNGGWLJGF-OSKOBQJQSA-N 1 3 329.488 2.521 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)/C=C\CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000492208807 478875827 /nfs/dbraw/zinc/87/58/27/478875827.db2.gz PFHVMTNGGWLJGF-OSKOBQJQSA-N 1 3 329.488 2.521 20 0 EFADHO COC(=O)COc1c(C)cc(C[N@H+](C2CC2)C2CCNCC2)cc1C ZINC000592424387 478890482 /nfs/dbraw/zinc/89/04/82/478890482.db2.gz OABUUDDGNGWUSX-UHFFFAOYSA-N 1 3 346.471 2.572 20 0 EFADHO COC(=O)COc1c(C)cc(C[N@@H+](C2CC2)C2CCNCC2)cc1C ZINC000592424387 478890486 /nfs/dbraw/zinc/89/04/86/478890486.db2.gz OABUUDDGNGWUSX-UHFFFAOYSA-N 1 3 346.471 2.572 20 0 EFADHO COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCC[C@@H](N)C2)CCOCC1 ZINC000572662737 478891001 /nfs/dbraw/zinc/89/10/01/478891001.db2.gz SCRQRGDUTINUHJ-IAGOWNOFSA-N 1 3 332.488 2.911 20 0 EFADHO COc1ccc(C)cc1C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000572662737 478891008 /nfs/dbraw/zinc/89/10/08/478891008.db2.gz SCRQRGDUTINUHJ-IAGOWNOFSA-N 1 3 332.488 2.911 20 0 EFADHO COc1ccc(C)cc1C1(C[NH2+][C@H]2CCC[C@H](N)C2)CCOCC1 ZINC000572662738 478891436 /nfs/dbraw/zinc/89/14/36/478891436.db2.gz SCRQRGDUTINUHJ-IRXDYDNUSA-N 1 3 332.488 2.911 20 0 EFADHO COc1ccc(C)cc1C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000572662738 478891439 /nfs/dbraw/zinc/89/14/39/478891439.db2.gz SCRQRGDUTINUHJ-IRXDYDNUSA-N 1 3 332.488 2.911 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@@H+]1CCCC[C@@H]1C ZINC000528713779 478893926 /nfs/dbraw/zinc/89/39/26/478893926.db2.gz IQHZZTOOKKJTLR-LSDHHAIUSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1)OCCNC2)[N@H+]1CCCC[C@@H]1C ZINC000528713779 478893934 /nfs/dbraw/zinc/89/39/34/478893934.db2.gz IQHZZTOOKKJTLR-LSDHHAIUSA-N 1 3 346.475 2.553 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000565099845 478912021 /nfs/dbraw/zinc/91/20/21/478912021.db2.gz OWRKBSKIIRLKNP-MRXNPFEDSA-N 1 3 346.519 2.886 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)CCCC[NH3+] ZINC000583691812 478917576 /nfs/dbraw/zinc/91/75/76/478917576.db2.gz POVRSYXEZFXJPZ-SFHVURJKSA-N 1 3 331.504 2.705 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000508221104 478936431 /nfs/dbraw/zinc/93/64/31/478936431.db2.gz IUSDXQDTQAIUTP-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000583806565 478945378 /nfs/dbraw/zinc/94/53/78/478945378.db2.gz YVMRZNCRMDQRRL-LWCVALJOSA-N 1 3 334.479 2.877 20 0 EFADHO C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCCNC1 ZINC000583806565 478945385 /nfs/dbraw/zinc/94/53/85/478945385.db2.gz YVMRZNCRMDQRRL-LWCVALJOSA-N 1 3 334.479 2.877 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@H]1C ZINC000572942455 478953905 /nfs/dbraw/zinc/95/39/05/478953905.db2.gz RBMRBCHOBMBRDP-GDBMZVCRSA-N 1 3 330.476 2.669 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc3c2CCNC3)C[C@H]1C ZINC000572942455 478953910 /nfs/dbraw/zinc/95/39/10/478953910.db2.gz RBMRBCHOBMBRDP-GDBMZVCRSA-N 1 3 330.476 2.669 20 0 EFADHO O[C@@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299785 478972479 /nfs/dbraw/zinc/97/24/79/478972479.db2.gz LIMSCAHJGYUHBI-RHSMWYFYSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299785 478972482 /nfs/dbraw/zinc/97/24/82/478972482.db2.gz LIMSCAHJGYUHBI-RHSMWYFYSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@@H](CNC[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299785 478972491 /nfs/dbraw/zinc/97/24/91/478972491.db2.gz LIMSCAHJGYUHBI-RHSMWYFYSA-N 1 3 342.405 2.683 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H](C)C2=CCN(C)CC2)c1 ZINC000583930443 478973017 /nfs/dbraw/zinc/97/30/17/478973017.db2.gz JFXIBIAMGARWLG-GDBMZVCRSA-N 1 3 338.879 2.628 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000583984355 478985631 /nfs/dbraw/zinc/98/56/31/478985631.db2.gz VPKQGMJXONXAQN-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000511908927 478985944 /nfs/dbraw/zinc/98/59/44/478985944.db2.gz GEQVOFSCUNEBOS-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000511908927 478985953 /nfs/dbraw/zinc/98/59/53/478985953.db2.gz GEQVOFSCUNEBOS-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000583989707 478987497 /nfs/dbraw/zinc/98/74/97/478987497.db2.gz NPSLPXRGPVEUJR-SNPRPXQTSA-N 1 3 330.394 2.681 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)Cc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000583989707 478987504 /nfs/dbraw/zinc/98/75/04/478987504.db2.gz NPSLPXRGPVEUJR-SNPRPXQTSA-N 1 3 330.394 2.681 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573088252 478989388 /nfs/dbraw/zinc/98/93/88/478989388.db2.gz JHHRRMHLZKOMSX-ZIFCJYIRSA-N 1 3 346.519 2.666 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512561322 479000794 /nfs/dbraw/zinc/00/07/94/479000794.db2.gz XNWPOVPLYJORJU-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)N(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512561322 479000798 /nfs/dbraw/zinc/00/07/98/479000798.db2.gz XNWPOVPLYJORJU-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1-c1ccc(F)cc1 ZINC000584047486 479003051 /nfs/dbraw/zinc/00/30/51/479003051.db2.gz GUPISGBORJSJKA-MKVSYHDVSA-N 1 3 343.450 2.754 20 0 EFADHO C[C@H](NC[C@@H](O)COCc1ccccc1Cl)C(C)(C)C[NH+](C)C ZINC000565594615 479042916 /nfs/dbraw/zinc/04/29/16/479042916.db2.gz RKWLCSGOWDUHMI-GOEBONIOSA-N 1 3 342.911 2.783 20 0 EFADHO [NH3+]CCC1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000573379336 479052851 /nfs/dbraw/zinc/05/28/51/479052851.db2.gz CRSLGFPZUTZBDB-IBGZPJMESA-N 1 3 329.488 2.801 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C ZINC000565669812 479060789 /nfs/dbraw/zinc/06/07/89/479060789.db2.gz JQGDJUZHZSWFRN-NZSAHSFTSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000565669812 479060794 /nfs/dbraw/zinc/06/07/94/479060794.db2.gz JQGDJUZHZSWFRN-NZSAHSFTSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC[C@@H]1CCCC[N@H+]1C ZINC000565669812 479060796 /nfs/dbraw/zinc/06/07/96/479060796.db2.gz JQGDJUZHZSWFRN-NZSAHSFTSA-N 1 3 332.488 2.871 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789099 479065895 /nfs/dbraw/zinc/06/58/95/479065895.db2.gz WHYBCKHPYUBPLG-DOTOQJQBSA-N 1 3 340.895 2.539 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789099 479065905 /nfs/dbraw/zinc/06/59/05/479065905.db2.gz WHYBCKHPYUBPLG-DOTOQJQBSA-N 1 3 340.895 2.539 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000514789099 479065915 /nfs/dbraw/zinc/06/59/15/479065915.db2.gz WHYBCKHPYUBPLG-DOTOQJQBSA-N 1 3 340.895 2.539 20 0 EFADHO COCC[NH+]1CCC(NCc2cccc(Br)c2C)CC1 ZINC000514827520 479073362 /nfs/dbraw/zinc/07/33/62/479073362.db2.gz XPDJYOSVSZIEOT-UHFFFAOYSA-N 1 3 341.293 2.958 20 0 EFADHO Cn1ccc(CC[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)n1 ZINC000546934247 479082499 /nfs/dbraw/zinc/08/24/99/479082499.db2.gz UPYZKNFBTFQXDL-CEWLAPEOSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000546934247 479082506 /nfs/dbraw/zinc/08/25/06/479082506.db2.gz UPYZKNFBTFQXDL-CEWLAPEOSA-N 1 3 338.499 2.853 20 0 EFADHO Cn1ccc(CCN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000546934247 479082514 /nfs/dbraw/zinc/08/25/14/479082514.db2.gz UPYZKNFBTFQXDL-CEWLAPEOSA-N 1 3 338.499 2.853 20 0 EFADHO C[C@H](NCc1ccc(C[NH3+])cc1)c1cccc(N2CCOCC2)c1 ZINC000584351420 479105667 /nfs/dbraw/zinc/10/56/67/479105667.db2.gz HMMMBYCAYKLDOH-INIZCTEOSA-N 1 3 325.456 2.833 20 0 EFADHO Cc1cnccc1CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584407257 479124662 /nfs/dbraw/zinc/12/46/62/479124662.db2.gz FHNTVZGTBOWLKX-ROUUACIJSA-N 1 3 331.504 2.754 20 0 EFADHO COC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000584426395 479131426 /nfs/dbraw/zinc/13/14/26/479131426.db2.gz PULLRUXIPOTHHS-DOIPELPJSA-N 1 3 346.515 2.664 20 0 EFADHO COc1ccc(C)cc1NC(=O)[C@H]1CCCN1CC[C@@H]1CCC[NH2+]C1 ZINC000573824034 479153199 /nfs/dbraw/zinc/15/31/99/479153199.db2.gz JCODFSAUPYZQAR-FUHWJXTLSA-N 1 3 345.487 2.796 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C1 ZINC000584480385 479153307 /nfs/dbraw/zinc/15/33/07/479153307.db2.gz ZMGNXWIYRASOHL-MGPQQGTHSA-N 1 3 325.403 2.726 20 0 EFADHO CC[NH2+]CCCNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000569695227 479158100 /nfs/dbraw/zinc/15/81/00/479158100.db2.gz LUAXLXAZTDHJQZ-MRXNPFEDSA-N 1 3 332.492 2.511 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 ZINC000569702751 479159414 /nfs/dbraw/zinc/15/94/14/479159414.db2.gz NICJHDGBYSOJOP-NRFANRHFSA-N 1 3 343.515 2.888 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cccc(-n3cccn3)c2)CC1 ZINC000573902332 479169451 /nfs/dbraw/zinc/16/94/51/479169451.db2.gz AOBGABLQIYLBFG-WOJBJXKFSA-N 1 3 340.471 2.591 20 0 EFADHO C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000573933587 479178163 /nfs/dbraw/zinc/17/81/63/479178163.db2.gz IHYGZOOPBRYXGE-ABSDTBQOSA-N 1 3 343.515 2.593 20 0 EFADHO C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@@H](C)C1 ZINC000573933589 479178909 /nfs/dbraw/zinc/17/89/09/479178909.db2.gz IHYGZOOPBRYXGE-SQGPQFPESA-N 1 3 343.515 2.593 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCN(C(C)C)C2)c1 ZINC000569837124 479190786 /nfs/dbraw/zinc/19/07/86/479190786.db2.gz IIESLVVVAHGXLB-RBUKOAKNSA-N 1 3 334.504 2.699 20 0 EFADHO C[NH+](C)CCCC1CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000574022401 479197043 /nfs/dbraw/zinc/19/70/43/479197043.db2.gz RAZXHCHKNXBYEO-UHFFFAOYSA-N 1 3 344.503 2.918 20 0 EFADHO CC[NH+]1CCN(Cc2ccc(CNCc3ccc(F)cn3)cc2)CC1 ZINC000529534874 479197452 /nfs/dbraw/zinc/19/74/52/479197452.db2.gz WOACSWZSDCCSDX-UHFFFAOYSA-N 1 3 342.462 2.648 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2C)c1 ZINC000574072236 479209488 /nfs/dbraw/zinc/20/94/88/479209488.db2.gz SBLRKRFGILRVOW-HXUWFJFHSA-N 1 3 342.483 2.976 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC[C@@H](O)COc2ccccc2C)c1 ZINC000574072236 479209493 /nfs/dbraw/zinc/20/94/93/479209493.db2.gz SBLRKRFGILRVOW-HXUWFJFHSA-N 1 3 342.483 2.976 20 0 EFADHO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)NCCN1CCCCCC1 ZINC000556888672 479234319 /nfs/dbraw/zinc/23/43/19/479234319.db2.gz GFQJIFZQCNEQEE-VQTJNVASSA-N 1 3 343.515 2.905 20 0 EFADHO COC[C@]1([NH2+]C2CCN(C(C)(C)C)CC2)COc2ccccc2C1 ZINC000529669939 479241515 /nfs/dbraw/zinc/24/15/15/479241515.db2.gz XQGLJWAZBBSHCN-FQEVSTJZSA-N 1 3 332.488 2.859 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000584783735 479242363 /nfs/dbraw/zinc/24/23/63/479242363.db2.gz ULEPAYYWASURJG-MRXNPFEDSA-N 1 3 335.492 2.898 20 0 EFADHO C[NH+](C)CC[C@@H](NC(=O)Nc1cccc2c1CCNC2)C(C)(C)C ZINC000557032674 479249376 /nfs/dbraw/zinc/24/93/76/479249376.db2.gz UCDDCWYTYVNTQZ-QGZVFWFLSA-N 1 3 332.492 2.820 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574337427 479267889 /nfs/dbraw/zinc/26/78/89/479267889.db2.gz ROSMHRTXPMSRCF-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C)N1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574337427 479267894 /nfs/dbraw/zinc/26/78/94/479267894.db2.gz ROSMHRTXPMSRCF-IBGZPJMESA-N 1 3 343.515 2.841 20 0 EFADHO COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000593317671 479291631 /nfs/dbraw/zinc/29/16/31/479291631.db2.gz UUDNZHCBHNRCTD-RLFYNMQTSA-N 1 3 334.460 2.576 20 0 EFADHO O[C@@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc2ccccc21 ZINC000574735867 479338497 /nfs/dbraw/zinc/33/84/97/479338497.db2.gz LGBLRQJHCQWTFJ-IBGZPJMESA-N 1 3 340.467 2.796 20 0 EFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)COc1cccc2ccccc21 ZINC000574735872 479338765 /nfs/dbraw/zinc/33/87/65/479338765.db2.gz LGBLRQJHCQWTFJ-LJQANCHMSA-N 1 3 340.467 2.796 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000574741841 479339705 /nfs/dbraw/zinc/33/97/05/479339705.db2.gz CSTDFLJQPJCYLO-MOPGFXCFSA-N 1 3 344.503 2.511 20 0 EFADHO CC(C)CN(C(=O)C[C@H]([NH3+])Cc1ccccc1)C1CCN(C)CC1 ZINC000574803444 479350026 /nfs/dbraw/zinc/35/00/26/479350026.db2.gz YUAXYQXIWFARJI-GOSISDBHSA-N 1 3 331.504 2.525 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000574868799 479361589 /nfs/dbraw/zinc/36/15/89/479361589.db2.gz RVAASOUMFITTMC-VAMGGRTRSA-N 1 3 339.487 2.727 20 0 EFADHO Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CCN(C(C)(C)C)CC2)c1 ZINC000574868845 479362325 /nfs/dbraw/zinc/36/23/25/479362325.db2.gz ALVHWSTXQGCLOK-GOSISDBHSA-N 1 3 334.504 2.896 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000602540911 479388310 /nfs/dbraw/zinc/38/83/10/479388310.db2.gz STXRETKSOBXTRV-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N(CCN2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000602540911 479388315 /nfs/dbraw/zinc/38/83/15/479388315.db2.gz STXRETKSOBXTRV-QGZVFWFLSA-N 1 3 349.906 2.716 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)N(C)C)cc1 ZINC000575044220 479393624 /nfs/dbraw/zinc/39/36/24/479393624.db2.gz ODEKWFOEUPQNDW-LJQANCHMSA-N 1 3 340.471 2.556 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[NH+]1CCCCCC1 ZINC000575053161 479395472 /nfs/dbraw/zinc/39/54/72/479395472.db2.gz AXLZCIMMYVCACE-FQEVSTJZSA-N 1 3 334.504 2.940 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC[N@@H+]1C ZINC000575053246 479396163 /nfs/dbraw/zinc/39/61/63/479396163.db2.gz DCGSPIQRPLTAMO-UIXUWTQFSA-N 1 3 332.488 2.514 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)CO[C@H]2CCCc3ccccc32)CC[N@H+]1C ZINC000575053246 479396168 /nfs/dbraw/zinc/39/61/68/479396168.db2.gz DCGSPIQRPLTAMO-UIXUWTQFSA-N 1 3 332.488 2.514 20 0 EFADHO c1cnc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2c1 ZINC000603517474 479399690 /nfs/dbraw/zinc/39/96/90/479399690.db2.gz YHEZXTLAXYBFTP-LJQANCHMSA-N 1 3 325.456 2.968 20 0 EFADHO CNC(=O)CCCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575760038 479470165 /nfs/dbraw/zinc/47/01/65/479470165.db2.gz ZRJLZZNDFWWIEL-HXUWFJFHSA-N 1 3 329.488 2.501 20 0 EFADHO CNC(=O)CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000575760038 479470173 /nfs/dbraw/zinc/47/01/73/479470173.db2.gz ZRJLZZNDFWWIEL-HXUWFJFHSA-N 1 3 329.488 2.501 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1)C1CC1 ZINC000589144235 479486447 /nfs/dbraw/zinc/48/64/47/479486447.db2.gz DUKNCTFNVXFFSK-FQEVSTJZSA-N 1 3 341.499 2.981 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1)C1CC1 ZINC000589144235 479486453 /nfs/dbraw/zinc/48/64/53/479486453.db2.gz DUKNCTFNVXFFSK-FQEVSTJZSA-N 1 3 341.499 2.981 20 0 EFADHO CN1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604206453 479487182 /nfs/dbraw/zinc/48/71/82/479487182.db2.gz QLYPVQCNIMKDLF-IBGZPJMESA-N 1 3 344.503 2.561 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000589214024 479501968 /nfs/dbraw/zinc/50/19/68/479501968.db2.gz LZFRNJOCZCOEGJ-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000589214024 479501973 /nfs/dbraw/zinc/50/19/73/479501973.db2.gz LZFRNJOCZCOEGJ-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602719801 479503183 /nfs/dbraw/zinc/50/31/83/479503183.db2.gz UKJHERBAUAHFOM-BMFAXAFESA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602719801 479503188 /nfs/dbraw/zinc/50/31/88/479503188.db2.gz UKJHERBAUAHFOM-BMFAXAFESA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)C(C)(C)CC[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000602729185 479509074 /nfs/dbraw/zinc/50/90/74/479509074.db2.gz SVUPVBRLRIRACV-AEFFLSMTSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602729185 479509082 /nfs/dbraw/zinc/50/90/82/479509082.db2.gz SVUPVBRLRIRACV-AEFFLSMTSA-N 1 3 332.488 2.933 20 0 EFADHO COC(=O)C(C)(C)CCNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602729185 479509083 /nfs/dbraw/zinc/50/90/83/479509083.db2.gz SVUPVBRLRIRACV-AEFFLSMTSA-N 1 3 332.488 2.933 20 0 EFADHO CC(C)C1CCC(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)CC1 ZINC000576145077 479549654 /nfs/dbraw/zinc/54/96/54/479549654.db2.gz WMXLCIWRAJKXBW-UHFFFAOYSA-N 1 3 337.552 2.839 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604654828 479551453 /nfs/dbraw/zinc/55/14/53/479551453.db2.gz RNAUEDYMGGSCAX-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000604654828 479551459 /nfs/dbraw/zinc/55/14/59/479551459.db2.gz RNAUEDYMGGSCAX-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2nn(C)c3ccccc23)C[C@@H](C)O1 ZINC000589646171 479554781 /nfs/dbraw/zinc/55/47/81/479554781.db2.gz LAJBLKGJPLCCPM-HZPDHXFCSA-N 1 3 330.476 2.552 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1SC ZINC000597192037 479613699 /nfs/dbraw/zinc/61/36/99/479613699.db2.gz PMENNORCNZYQBG-IPMKNSEASA-N 1 3 349.544 2.792 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000578838325 479615062 /nfs/dbraw/zinc/61/50/62/479615062.db2.gz BBGCBANQDPBWEX-UHFFFAOYSA-N 1 3 336.455 2.660 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000579000993 479648126 /nfs/dbraw/zinc/64/81/26/479648126.db2.gz CZFKFZSFZGFTGE-CGTJXYLNSA-N 1 3 331.504 2.962 20 0 EFADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2occc2s1 ZINC000605508669 479652522 /nfs/dbraw/zinc/65/25/22/479652522.db2.gz BZHDNXYNTMTTDJ-AWEZNQCLSA-N 1 3 349.500 2.982 20 0 EFADHO C[C@@H](NCCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCC[NH2+]C1 ZINC000579099859 479661008 /nfs/dbraw/zinc/66/10/08/479661008.db2.gz COLCBYXMRHDTLI-TZMCWYRMSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCNC1 ZINC000579099859 479661010 /nfs/dbraw/zinc/66/10/10/479661010.db2.gz COLCBYXMRHDTLI-TZMCWYRMSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H](NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCC[NH2+]C1 ZINC000579099857 479661098 /nfs/dbraw/zinc/66/10/98/479661098.db2.gz COLCBYXMRHDTLI-JSGCOSHPSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H]([NH2+]CCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCNC1 ZINC000579099857 479661105 /nfs/dbraw/zinc/66/11/05/479661105.db2.gz COLCBYXMRHDTLI-JSGCOSHPSA-N 1 3 331.382 2.543 20 0 EFADHO CN1CCC(CC(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CC1 ZINC000615446468 479674590 /nfs/dbraw/zinc/67/45/90/479674590.db2.gz OVSRTGFDQVODOD-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000615444652 479674629 /nfs/dbraw/zinc/67/46/29/479674629.db2.gz AQZLJWKEXZARAR-IAGOWNOFSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)CN(C)C(C)C)C2)s1 ZINC000579280146 479681349 /nfs/dbraw/zinc/68/13/49/479681349.db2.gz LYJGWHDZQQYAPH-MRXNPFEDSA-N 1 3 337.533 2.677 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CN(C)C(C)C)C2)s1 ZINC000579280146 479681351 /nfs/dbraw/zinc/68/13/51/479681351.db2.gz LYJGWHDZQQYAPH-MRXNPFEDSA-N 1 3 337.533 2.677 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@@H+]1CCCC[C@@H]1C ZINC000579329901 479686136 /nfs/dbraw/zinc/68/61/36/479686136.db2.gz AZKXEJDDWSOAGT-GJZGRUSLSA-N 1 3 330.476 2.717 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[N@H+]1CCCC[C@@H]1C ZINC000579329901 479686140 /nfs/dbraw/zinc/68/61/40/479686140.db2.gz AZKXEJDDWSOAGT-GJZGRUSLSA-N 1 3 330.476 2.717 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000606659198 479717213 /nfs/dbraw/zinc/71/72/13/479717213.db2.gz RUUBJTWACQWCQC-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000606659666 479717409 /nfs/dbraw/zinc/71/74/09/479717409.db2.gz RGMCXIKONDYNHR-VQIMIIECSA-N 1 3 346.519 2.627 20 0 EFADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000615673247 479732899 /nfs/dbraw/zinc/73/28/99/479732899.db2.gz HEFXOOUQQKAZKI-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642375 479735133 /nfs/dbraw/zinc/73/51/33/479735133.db2.gz LORVNEQFTXVOBQ-PXNSSMCTSA-N 1 3 343.515 2.719 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621641640 479735810 /nfs/dbraw/zinc/73/58/10/479735810.db2.gz QEAMALUVBGDKIZ-IBGZPJMESA-N 1 3 343.515 2.809 20 0 EFADHO CC(C)(CNC(=O)CC[C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000621642965 479737144 /nfs/dbraw/zinc/73/71/44/479737144.db2.gz YJMCQAHXXNWTCF-QGZVFWFLSA-N 1 3 343.515 2.719 20 0 EFADHO C[C@H](c1ccncc1)N1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621657748 479739581 /nfs/dbraw/zinc/73/95/81/479739581.db2.gz TYILJCKOTZYPBB-IAGOWNOFSA-N 1 3 344.503 2.503 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000621738119 479776713 /nfs/dbraw/zinc/77/67/13/479776713.db2.gz ZBOXXQUUCXLSHF-IEBWSBKVSA-N 1 3 332.488 2.612 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000633341226 479778081 /nfs/dbraw/zinc/77/80/81/479778081.db2.gz FCLFKZPVGACPNY-ZWKOTPCHSA-N 1 3 348.535 2.663 20 0 EFADHO CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000633343724 479779535 /nfs/dbraw/zinc/77/95/35/479779535.db2.gz SJNFCUPKGHYMMT-SJORKVTESA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000628158434 479790070 /nfs/dbraw/zinc/79/00/70/479790070.db2.gz NUESYGSBILZWDL-FGTMMUONSA-N 1 3 325.566 2.763 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@@]2(C)CCCS2)CC1 ZINC000628158434 479790078 /nfs/dbraw/zinc/79/00/78/479790078.db2.gz NUESYGSBILZWDL-FGTMMUONSA-N 1 3 325.566 2.763 20 0 EFADHO C[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000628186524 479802475 /nfs/dbraw/zinc/80/24/75/479802475.db2.gz NGMGFEDYVHDYEG-UZLBHIALSA-N 1 3 326.488 2.626 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1cccc(OC)c1OC ZINC000631565358 480157694 /nfs/dbraw/zinc/15/76/94/480157694.db2.gz IFJSDJDEHLBYEK-SFHVURJKSA-N 1 3 349.519 2.771 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631570911 480160233 /nfs/dbraw/zinc/16/02/33/480160233.db2.gz VZHLVJSYSNTMOF-AEFFLSMTSA-N 1 3 347.503 2.525 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H]1CCCOc2c(OC)cccc21 ZINC000631586093 480168018 /nfs/dbraw/zinc/16/80/18/480168018.db2.gz FBNTUVRLPQGDGS-RDJZCZTQSA-N 1 3 336.476 2.855 20 0 EFADHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631601652 480176344 /nfs/dbraw/zinc/17/63/44/480176344.db2.gz JJTIYZPAHYPZBZ-XUVXKRRUSA-N 1 3 329.488 2.817 20 0 EFADHO CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccc(CN(C)C)cc1 ZINC000626062156 480182288 /nfs/dbraw/zinc/18/22/88/480182288.db2.gz JRBKHWYHGOKLNG-QGZVFWFLSA-N 1 3 331.504 2.971 20 0 EFADHO CC[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccc(CN(C)C)cc1 ZINC000626062156 480182293 /nfs/dbraw/zinc/18/22/93/480182293.db2.gz JRBKHWYHGOKLNG-QGZVFWFLSA-N 1 3 331.504 2.971 20 0 EFADHO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617353335 480183554 /nfs/dbraw/zinc/18/35/54/480183554.db2.gz IIZBKFDEVOXOPD-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000617353335 480183560 /nfs/dbraw/zinc/18/35/60/480183560.db2.gz IIZBKFDEVOXOPD-GOSISDBHSA-N 1 3 329.488 2.885 20 0 EFADHO CCC1(N2CCOCC2)CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000626089245 480195062 /nfs/dbraw/zinc/19/50/62/480195062.db2.gz HVPJBJOIMZPMMN-KDURUIRLSA-N 1 3 337.552 2.541 20 0 EFADHO CCC1(N2CCOCC2)CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000626089245 480195070 /nfs/dbraw/zinc/19/50/70/480195070.db2.gz HVPJBJOIMZPMMN-KDURUIRLSA-N 1 3 337.552 2.541 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000631667798 480206412 /nfs/dbraw/zinc/20/64/12/480206412.db2.gz SCWJQFQGKAYSMA-HBFSDRIKSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631667798 480206415 /nfs/dbraw/zinc/20/64/15/480206415.db2.gz SCWJQFQGKAYSMA-HBFSDRIKSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631667798 480206420 /nfs/dbraw/zinc/20/64/20/480206420.db2.gz SCWJQFQGKAYSMA-HBFSDRIKSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000631664619 480206450 /nfs/dbraw/zinc/20/64/50/480206450.db2.gz QNEJUMGKBMHTQF-LMMKCTJWSA-N 1 3 341.503 2.759 20 0 EFADHO CC1(c2ccccc2)CCC(NCc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000629407206 480246424 /nfs/dbraw/zinc/24/64/24/480246424.db2.gz XIGZJPDIIBRVMU-SKINQDTJSA-N 1 3 339.487 2.803 20 0 EFADHO c1c(C2CCN(C[C@@H]3CCCCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000631829980 480289417 /nfs/dbraw/zinc/28/94/17/480289417.db2.gz GNESBMSLUWXCGP-KRWDZBQOSA-N 1 3 332.492 2.625 20 0 EFADHO O[C@@H](C[NH2+]CCOc1ccccc1-c1ccccc1)CN1CCCC1 ZINC000629558610 480305661 /nfs/dbraw/zinc/30/56/61/480305661.db2.gz KJBKXYBYHYEYKN-IBGZPJMESA-N 1 3 340.467 2.779 20 0 EFADHO O[C@H](CNCCCO[C@@H]1CCCc2ccccc21)C[NH+]1CCCC1 ZINC000629566172 480311603 /nfs/dbraw/zinc/31/16/03/480311603.db2.gz MOZUAVFSPFYTOG-UYAOXDASSA-N 1 3 332.488 2.517 20 0 EFADHO O[C@H](CNCCCOc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000629568860 480311998 /nfs/dbraw/zinc/31/19/98/480311998.db2.gz MAFCUMOCZPMQMJ-LJQANCHMSA-N 1 3 328.456 2.655 20 0 EFADHO CN(CCOCC[NH3+])Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000629578346 480313002 /nfs/dbraw/zinc/31/30/02/480313002.db2.gz IYKGLRZTPDCEHG-UHFFFAOYSA-N 1 3 332.419 2.812 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)CN1CCCC1 ZINC000629577390 480313371 /nfs/dbraw/zinc/31/33/71/480313371.db2.gz HHKWUHQKTKDHLS-HEHGZKQESA-N 1 3 329.271 2.896 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC[C@H](O)C[NH+]2CCCC2)N(C)C)cc1 ZINC000629581322 480315193 /nfs/dbraw/zinc/31/51/93/480315193.db2.gz WBKDKYRXCDOCTQ-SFTDATJTSA-N 1 3 347.547 2.534 20 0 EFADHO COC[C@H](C)[N@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000629590412 480319837 /nfs/dbraw/zinc/31/98/37/480319837.db2.gz YSGPOUMMSRTJAZ-KVSKMBFKSA-N 1 3 330.472 2.532 20 0 EFADHO COC[C@H](C)[N@@H+](C[C@H]1CCC2(CNC2)O1)[C@@H]1CCc2ccccc21 ZINC000629590412 480319841 /nfs/dbraw/zinc/31/98/41/480319841.db2.gz YSGPOUMMSRTJAZ-KVSKMBFKSA-N 1 3 330.472 2.532 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000621108532 480338767 /nfs/dbraw/zinc/33/87/67/480338767.db2.gz BFGKPRKMASRYTJ-AZUAARDMSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000621108532 480338770 /nfs/dbraw/zinc/33/87/70/480338770.db2.gz BFGKPRKMASRYTJ-AZUAARDMSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000621108533 480339248 /nfs/dbraw/zinc/33/92/48/480339248.db2.gz BFGKPRKMASRYTJ-ICSRJNTNSA-N 1 3 343.515 2.918 20 0 EFADHO CN(C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000621108533 480339253 /nfs/dbraw/zinc/33/92/53/480339253.db2.gz BFGKPRKMASRYTJ-ICSRJNTNSA-N 1 3 343.515 2.918 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CC3=Cc4ccccc4OC3)CC2)C1 ZINC000629648065 480342291 /nfs/dbraw/zinc/34/22/91/480342291.db2.gz GEPKKRIVUKBEIT-UYAOXDASSA-N 1 3 328.456 2.681 20 0 EFADHO Cc1cc(CN(C)CCOCC[NH3+])cc(C)c1OCc1ccccn1 ZINC000629665884 480350140 /nfs/dbraw/zinc/35/01/40/480350140.db2.gz QRJVSFCRCYWMDL-UHFFFAOYSA-N 1 3 343.471 2.685 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596973 480354452 /nfs/dbraw/zinc/35/44/52/480354452.db2.gz RRCWFRHJQURVFN-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N(C)Cc1ccccc1 ZINC000623596973 480354458 /nfs/dbraw/zinc/35/44/58/480354458.db2.gz RRCWFRHJQURVFN-HKUYNNGSSA-N 1 3 346.519 2.538 20 0 EFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)cn1 ZINC000629702614 480362600 /nfs/dbraw/zinc/36/26/00/480362600.db2.gz QNDXEWDLIBIPDS-HNNXBMFYSA-N 1 3 338.455 2.891 20 0 EFADHO CNCC(=O)Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]3C)c2)cn1 ZINC000629702614 480362605 /nfs/dbraw/zinc/36/26/05/480362605.db2.gz QNDXEWDLIBIPDS-HNNXBMFYSA-N 1 3 338.455 2.891 20 0 EFADHO O[C@H](C[NH2+]C[C@H]1CCN(C2CC2)C1)COc1cccc2ccccc21 ZINC000644531745 480420611 /nfs/dbraw/zinc/42/06/11/480420611.db2.gz AMYNGKCLUOKWBF-VQIMIIECSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531745 480420619 /nfs/dbraw/zinc/42/06/19/480420619.db2.gz AMYNGKCLUOKWBF-VQIMIIECSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@H]1CC[N@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531745 480420626 /nfs/dbraw/zinc/42/06/26/480420626.db2.gz AMYNGKCLUOKWBF-VQIMIIECSA-N 1 3 340.467 2.653 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000644535500 480422569 /nfs/dbraw/zinc/42/25/69/480422569.db2.gz FCYZPEWWTBPLLM-NHYWBVRUSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644535500 480422573 /nfs/dbraw/zinc/42/25/73/480422573.db2.gz FCYZPEWWTBPLLM-NHYWBVRUSA-N 1 3 331.287 2.969 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)CC1 ZINC000634677896 480425753 /nfs/dbraw/zinc/42/57/53/480425753.db2.gz BPSRFNHZQMNWCN-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO CC1(C)C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000634680265 480427515 /nfs/dbraw/zinc/42/75/15/480427515.db2.gz OXLIMHPHXRPCSH-SFHVURJKSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H]1CC[C@@H](CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)O1 ZINC000634688220 480430973 /nfs/dbraw/zinc/43/09/73/480430973.db2.gz LZQMDXNKMHCBQZ-PBHICJAKSA-N 1 3 332.492 2.624 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000635526809 480441185 /nfs/dbraw/zinc/44/11/85/480441185.db2.gz CLQKILPDJNGDAE-BHIYHBOVSA-N 1 3 346.519 2.886 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cncc(OCC)c2)[C@@H](C)C1 ZINC000621336478 480458308 /nfs/dbraw/zinc/45/83/08/480458308.db2.gz ZZFNWUTZDPUJEM-LPHOPBHVSA-N 1 3 335.492 2.707 20 0 EFADHO CN(CC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)CC(C)(C)C ZINC000635556061 480460386 /nfs/dbraw/zinc/46/03/86/480460386.db2.gz JVDMEBYWPJXBNZ-UHFFFAOYSA-N 1 3 335.492 2.680 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000644603621 480466129 /nfs/dbraw/zinc/46/61/29/480466129.db2.gz HBKWDLKPTXWTJK-PMACEKPBSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COCc2ccccc2)C1 ZINC000644603621 480466134 /nfs/dbraw/zinc/46/61/34/480466134.db2.gz HBKWDLKPTXWTJK-PMACEKPBSA-N 1 3 334.504 2.522 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000644603621 480466138 /nfs/dbraw/zinc/46/61/38/480466138.db2.gz HBKWDLKPTXWTJK-PMACEKPBSA-N 1 3 334.504 2.522 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000629963957 480479051 /nfs/dbraw/zinc/47/90/51/480479051.db2.gz YUGVRVAZXSGGOV-KSSFIOAISA-N 1 3 335.517 2.732 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC1 ZINC000629963957 480479057 /nfs/dbraw/zinc/47/90/57/480479057.db2.gz YUGVRVAZXSGGOV-KSSFIOAISA-N 1 3 335.517 2.732 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000629970468 480483413 /nfs/dbraw/zinc/48/34/13/480483413.db2.gz QXUYHWVLIWWGRF-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000629970468 480483420 /nfs/dbraw/zinc/48/34/20/480483420.db2.gz QXUYHWVLIWWGRF-SJLPKXTDSA-N 1 3 329.488 2.640 20 0 EFADHO COc1cc(CCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000621391864 480493396 /nfs/dbraw/zinc/49/33/96/480493396.db2.gz WWHJSRWSWMHQSW-HOTGVXAUSA-N 1 3 334.460 2.558 20 0 EFADHO COc1cc(CCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1O ZINC000621391864 480493401 /nfs/dbraw/zinc/49/34/01/480493401.db2.gz WWHJSRWSWMHQSW-HOTGVXAUSA-N 1 3 334.460 2.558 20 0 EFADHO CN1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@@H]1c1cccs1 ZINC000635604169 480498896 /nfs/dbraw/zinc/49/88/96/480498896.db2.gz UYYKNTOYKKSBJW-GOEBONIOSA-N 1 3 335.517 2.589 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H]1c1cccs1 ZINC000635604172 480498930 /nfs/dbraw/zinc/49/89/30/480498930.db2.gz UYYKNTOYKKSBJW-ZBFHGGJFSA-N 1 3 335.517 2.589 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000638063973 480504836 /nfs/dbraw/zinc/50/48/36/480504836.db2.gz QJBNMECJXWDVMN-ZAAXVRCTSA-N 1 3 345.487 2.624 20 0 EFADHO CO[C@@H]1CN[C@@](C)(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000638063973 480504840 /nfs/dbraw/zinc/50/48/40/480504840.db2.gz QJBNMECJXWDVMN-ZAAXVRCTSA-N 1 3 345.487 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc3ncccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000638136884 480559324 /nfs/dbraw/zinc/55/93/24/480559324.db2.gz CDIPSVJGBYEXLR-UTKZUKDTSA-N 1 3 338.499 2.693 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CCC(C)C)cc2)CC1 ZINC000638135828 480559447 /nfs/dbraw/zinc/55/94/47/480559447.db2.gz CRPSQQXQJJJUDU-LJQANCHMSA-N 1 3 346.519 2.526 20 0 EFADHO C[C@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@@H]1N1CCN(C)CC1 ZINC000638137922 480563043 /nfs/dbraw/zinc/56/30/43/480563043.db2.gz QSYZLHPQJHYIKR-PXNSSMCTSA-N 1 3 340.515 2.636 20 0 EFADHO C[C@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@@H]1N1CCN(C)CC1 ZINC000638137922 480563046 /nfs/dbraw/zinc/56/30/46/480563046.db2.gz QSYZLHPQJHYIKR-PXNSSMCTSA-N 1 3 340.515 2.636 20 0 EFADHO CC[C@H](C)[C@@H](C[NH+]1CCC(N2CCN(C(C)C)CC2)CC1)OC ZINC000638153600 480571276 /nfs/dbraw/zinc/57/12/76/480571276.db2.gz QFWMTHSBOBKEIA-PKOBYXMFSA-N 1 3 325.541 2.538 20 0 EFADHO CCN(CC[NH3+])C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000626922220 480582131 /nfs/dbraw/zinc/58/21/31/480582131.db2.gz RAPYOXGEYREALM-OAHLLOKOSA-N 1 3 338.521 2.511 20 0 EFADHO CO[C@]1(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176919 480582265 /nfs/dbraw/zinc/58/22/65/480582265.db2.gz IEPDWMVGJMZBSC-ACRUOGEOSA-N 1 3 344.499 2.778 20 0 EFADHO CO[C@]1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOC1 ZINC000638176919 480582268 /nfs/dbraw/zinc/58/22/68/480582268.db2.gz IEPDWMVGJMZBSC-ACRUOGEOSA-N 1 3 344.499 2.778 20 0 EFADHO C([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)[C@H]1CCN1C1CCCCC1 ZINC000624077803 480598362 /nfs/dbraw/zinc/59/83/62/480598362.db2.gz CMNQRWPHBHMAPO-UXHICEINSA-N 1 3 335.536 2.626 20 0 EFADHO NCc1cc(NC(=O)C23CCC[NH+](CCC2)C3)cc(C(F)(F)F)c1 ZINC000638209273 480604268 /nfs/dbraw/zinc/60/42/68/480604268.db2.gz CHABTAUTNSRVBF-UHFFFAOYSA-N 1 3 341.377 2.979 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1cccc(N2CCOCC2)c1 ZINC000624119769 480619137 /nfs/dbraw/zinc/61/91/37/480619137.db2.gz JHEJMNILKQEDCW-QZTJIDSGSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635780739 480627679 /nfs/dbraw/zinc/62/76/79/480627679.db2.gz SJKQFKYICYNITC-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000635780739 480627683 /nfs/dbraw/zinc/62/76/83/480627683.db2.gz SJKQFKYICYNITC-PKOBYXMFSA-N 1 3 345.531 2.991 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C ZINC000627033677 480631649 /nfs/dbraw/zinc/63/16/49/480631649.db2.gz PZJKAUMWXHTETE-NXHRZFHOSA-N 1 3 344.503 2.570 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000618354054 480637451 /nfs/dbraw/zinc/63/74/51/480637451.db2.gz SKJKCVWLWNIWHX-MJGOQNOKSA-N 1 3 345.531 2.929 20 0 EFADHO COc1cccc(C[C@@H](N)C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC000638288843 480645737 /nfs/dbraw/zinc/64/57/37/480645737.db2.gz BVVMKQQMGCLERY-LJQANCHMSA-N 1 3 341.455 2.574 20 0 EFADHO CO[C@H](CNCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCOC1 ZINC000638311722 480659275 /nfs/dbraw/zinc/65/92/75/480659275.db2.gz ATMBMSSTIUIMBU-WOJBJXKFSA-N 1 3 332.488 2.814 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC000635851110 480665912 /nfs/dbraw/zinc/66/59/12/480665912.db2.gz QMCUUYDMBRZHHU-PKOBYXMFSA-N 1 3 343.515 2.978 20 0 EFADHO O=C1CC[C@H]([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCN1 ZINC000634981833 480674365 /nfs/dbraw/zinc/67/43/65/480674365.db2.gz UOVNKOIBHGMQKG-OALUTQOASA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638351988 480678489 /nfs/dbraw/zinc/67/84/89/480678489.db2.gz NLZDPEZDWTUSNC-PKOBYXMFSA-N 1 3 329.488 2.859 20 0 EFADHO CC(C)NC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638351988 480678496 /nfs/dbraw/zinc/67/84/96/480678496.db2.gz NLZDPEZDWTUSNC-PKOBYXMFSA-N 1 3 329.488 2.859 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638357555 480680979 /nfs/dbraw/zinc/68/09/79/480680979.db2.gz YLWKMQIWUDDKCM-MSOLQXFVSA-N 1 3 337.552 2.728 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638357556 480681233 /nfs/dbraw/zinc/68/12/33/480681233.db2.gz YLWKMQIWUDDKCM-QZTJIDSGSA-N 1 3 337.552 2.728 20 0 EFADHO NCc1cn([C@H]2CC[N@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000634999911 480681851 /nfs/dbraw/zinc/68/18/51/480681851.db2.gz CCGSGTSAXMKZJW-IBGZPJMESA-N 1 3 325.460 2.841 20 0 EFADHO NCc1cn([C@H]2CC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000634999911 480681854 /nfs/dbraw/zinc/68/18/54/480681854.db2.gz CCGSGTSAXMKZJW-IBGZPJMESA-N 1 3 325.460 2.841 20 0 EFADHO COCCN(C)CCC[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000638358761 480682798 /nfs/dbraw/zinc/68/27/98/480682798.db2.gz CAZCRSBISNDKET-TZIWHRDSSA-N 1 3 345.531 2.912 20 0 EFADHO COc1ccc2c(c1)C[C@@H](NCC[C@H]([NH3+])Cc1ccccc1)CO2 ZINC000635007383 480684538 /nfs/dbraw/zinc/68/45/38/480684538.db2.gz OHIXFNCLSGOWKE-ZWKOTPCHSA-N 1 3 326.440 2.548 20 0 EFADHO Fc1ccc(F)c2c1CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008336 480685101 /nfs/dbraw/zinc/68/51/01/480685101.db2.gz IZFPXBTZVBDCFV-INIZCTEOSA-N 1 3 330.382 2.869 20 0 EFADHO Fc1cc2c(c(F)c1)CC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007706 480685110 /nfs/dbraw/zinc/68/51/10/480685110.db2.gz GKLJPJCBDGESFH-KRWDZBQOSA-N 1 3 330.382 2.869 20 0 EFADHO COc1ccc(C)cc1[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635007721 480685272 /nfs/dbraw/zinc/68/52/72/480685272.db2.gz GNFHVOHQOMHGBG-OAHLLOKOSA-N 1 3 326.444 2.981 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635009838 480686577 /nfs/dbraw/zinc/68/65/77/480686577.db2.gz HUDWFXKWQOYGQC-ZIFCJYIRSA-N 1 3 330.520 2.660 20 0 EFADHO CC[C@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000635010948 480686616 /nfs/dbraw/zinc/68/66/16/480686616.db2.gz WSYPDYNKZBSYFN-SFHVURJKSA-N 1 3 338.455 2.989 20 0 EFADHO C[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1ccc(F)cc1N(C)C ZINC000635009218 480686993 /nfs/dbraw/zinc/68/69/93/480686993.db2.gz MJXNLJCCYCHXQG-CQSZACIVSA-N 1 3 343.450 2.869 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CCOC1 ZINC000638364233 480687083 /nfs/dbraw/zinc/68/70/83/480687083.db2.gz XUESGXYVUQYOAX-YLJYHZDGSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CCOC1 ZINC000638364233 480687091 /nfs/dbraw/zinc/68/70/91/480687091.db2.gz XUESGXYVUQYOAX-YLJYHZDGSA-N 1 3 332.488 2.814 20 0 EFADHO CCc1nc(C)c([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635011190 480687197 /nfs/dbraw/zinc/68/71/97/480687197.db2.gz YFNMOPLYKPQFGH-GFCCVEGCSA-N 1 3 331.489 2.992 20 0 EFADHO COC[C@@H](Nc1cc(N2CCNCC2)cc[nH+]1)c1cccc(Cl)c1 ZINC000635011144 480687367 /nfs/dbraw/zinc/68/73/67/480687367.db2.gz MMSMPUZORSKFRF-QGZVFWFLSA-N 1 3 346.862 2.944 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000638365393 480687450 /nfs/dbraw/zinc/68/74/50/480687450.db2.gz BBIYRPVDNUXTSC-YLJYHZDGSA-N 1 3 332.488 2.814 20 0 EFADHO CO[C@@]1(CNCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCOC1 ZINC000638365393 480687454 /nfs/dbraw/zinc/68/74/54/480687454.db2.gz BBIYRPVDNUXTSC-YLJYHZDGSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000635013755 480688703 /nfs/dbraw/zinc/68/87/03/480688703.db2.gz IGMOARZYCCWMJE-FNHZYXHNSA-N 1 3 332.875 2.964 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CN[C@@H]3CCCNC(=O)C3)cc2)C1 ZINC000638373289 480691853 /nfs/dbraw/zinc/69/18/53/480691853.db2.gz BGYDMPCKPIUOPI-MBOZVWFJSA-N 1 3 343.515 2.923 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000635903255 480694986 /nfs/dbraw/zinc/69/49/86/480694986.db2.gz JJRNNGYBCSKHLG-SFHVURJKSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1cccc(C)c1 ZINC000638380996 480697252 /nfs/dbraw/zinc/69/72/52/480697252.db2.gz GVDIDSBQENKZRB-GOSISDBHSA-N 1 3 334.504 2.977 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638415450 480713226 /nfs/dbraw/zinc/71/32/26/480713226.db2.gz ZAZWYALALMWVRV-NRSPTQNISA-N 1 3 346.515 2.978 20 0 EFADHO CC(C)COC[C@H](O)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638415450 480713229 /nfs/dbraw/zinc/71/32/29/480713229.db2.gz ZAZWYALALMWVRV-NRSPTQNISA-N 1 3 346.515 2.978 20 0 EFADHO CCCN(C(=O)NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCN(C)C1 ZINC000645165364 480725759 /nfs/dbraw/zinc/72/57/59/480725759.db2.gz JQBUUKWHUGRXDS-GOSISDBHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645165675 480725978 /nfs/dbraw/zinc/72/59/78/480725978.db2.gz OICOIEVIVFYQPU-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCN(C)C1 ZINC000645165675 480725980 /nfs/dbraw/zinc/72/59/80/480725980.db2.gz OICOIEVIVFYQPU-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CNC(=O)CC[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638443811 480728650 /nfs/dbraw/zinc/72/86/50/480728650.db2.gz TWVUDVWJBMOAMN-FQEVSTJZSA-N 1 3 331.504 2.651 20 0 EFADHO CNC(=O)CCNC[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638443811 480728651 /nfs/dbraw/zinc/72/86/51/480728651.db2.gz TWVUDVWJBMOAMN-FQEVSTJZSA-N 1 3 331.504 2.651 20 0 EFADHO CNC(=O)CCNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638443811 480728656 /nfs/dbraw/zinc/72/86/56/480728656.db2.gz TWVUDVWJBMOAMN-FQEVSTJZSA-N 1 3 331.504 2.651 20 0 EFADHO CO[C@]1(CNCc2ccc(C[NH+]3CCCCCC3)cc2)CCOC1 ZINC000638446590 480730072 /nfs/dbraw/zinc/73/00/72/480730072.db2.gz YMRREMUMYWRUMP-FQEVSTJZSA-N 1 3 332.488 2.958 20 0 EFADHO CO[C@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000638453907 480734223 /nfs/dbraw/zinc/73/42/23/480734223.db2.gz BBAGVBKYTJQVCM-SJLPKXTDSA-N 1 3 338.517 2.601 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+]C[C@H](OC)C3CC3)CC2)cc1 ZINC000638454064 480734291 /nfs/dbraw/zinc/73/42/91/480734291.db2.gz VYABQEKLCXAFRG-FQEVSTJZSA-N 1 3 332.488 2.922 20 0 EFADHO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000638521203 480762961 /nfs/dbraw/zinc/76/29/61/480762961.db2.gz ATXNDJYAWIPJSI-HOJAQTOUSA-N 1 3 343.515 2.588 20 0 EFADHO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000638521206 480763135 /nfs/dbraw/zinc/76/31/35/480763135.db2.gz ATXNDJYAWIPJSI-YZGWKJHDSA-N 1 3 343.515 2.588 20 0 EFADHO CO[C@H](C[NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000638522022 480763236 /nfs/dbraw/zinc/76/32/36/480763236.db2.gz UVTLFDVQFPZAIQ-TZIWHRDSSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522022 480763241 /nfs/dbraw/zinc/76/32/41/480763241.db2.gz UVTLFDVQFPZAIQ-TZIWHRDSSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@H](CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522022 480763248 /nfs/dbraw/zinc/76/32/48/480763248.db2.gz UVTLFDVQFPZAIQ-TZIWHRDSSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@@H](C[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CCOCC1 ZINC000638522020 480763537 /nfs/dbraw/zinc/76/35/37/480763537.db2.gz UVTLFDVQFPZAIQ-FPOVZHCZSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522020 480763546 /nfs/dbraw/zinc/76/35/46/480763546.db2.gz UVTLFDVQFPZAIQ-FPOVZHCZSA-N 1 3 346.515 2.582 20 0 EFADHO CO[C@@H](CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000638522020 480763554 /nfs/dbraw/zinc/76/35/54/480763554.db2.gz UVTLFDVQFPZAIQ-FPOVZHCZSA-N 1 3 346.515 2.582 20 0 EFADHO NCc1cccc2c1N(C(=O)[C@H]1CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000638542845 480770547 /nfs/dbraw/zinc/77/05/47/480770547.db2.gz LNZZPLLSXDYPNK-FQEVSTJZSA-N 1 3 349.478 2.947 20 0 EFADHO NCc1cccc2c1N(C(=O)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000638542845 480770550 /nfs/dbraw/zinc/77/05/50/480770550.db2.gz LNZZPLLSXDYPNK-FQEVSTJZSA-N 1 3 349.478 2.947 20 0 EFADHO CC(C)O[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccccc1 ZINC000638588422 480788985 /nfs/dbraw/zinc/78/89/85/480788985.db2.gz LOFLFKRDSPIKQU-PZJWPPBQSA-N 1 3 345.531 2.911 20 0 EFADHO OC[C@H]1CCC[N@@H+]1CCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638620186 480800942 /nfs/dbraw/zinc/80/09/42/480800942.db2.gz QAMYHKABDQDTAE-MRXNPFEDSA-N 1 3 349.425 2.840 20 0 EFADHO OC[C@H]1CCC[N@H+]1CCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638620186 480800947 /nfs/dbraw/zinc/80/09/47/480800947.db2.gz QAMYHKABDQDTAE-MRXNPFEDSA-N 1 3 349.425 2.840 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000638626669 480802397 /nfs/dbraw/zinc/80/23/97/480802397.db2.gz XZFRZZIVZOZDJH-UHFFFAOYSA-N 1 3 346.519 2.730 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)Nc2cccc3c2CCNC3)CC1 ZINC000632949097 480816388 /nfs/dbraw/zinc/81/63/88/480816388.db2.gz OYUVHAHPMKPIEY-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO CNCc1ccccc1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632949509 480817757 /nfs/dbraw/zinc/81/77/57/480817757.db2.gz SMEXKQMBROFGRO-UHFFFAOYSA-N 1 3 330.476 2.888 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc(C[NH3+])cc3)C2)cc1 ZINC000632952137 480819508 /nfs/dbraw/zinc/81/95/08/480819508.db2.gz WRXWTJRRRCVLQV-LJQANCHMSA-N 1 3 338.455 2.850 20 0 EFADHO CC(C)(CNC1CC[NH+](C[C@H]2CCOC2)CC1)Oc1ccccc1 ZINC000638669249 480821528 /nfs/dbraw/zinc/82/15/28/480821528.db2.gz PRHQIIOJBYZZHH-QGZVFWFLSA-N 1 3 332.488 2.935 20 0 EFADHO CC[C@H](CNC1CC[NH+](CC(C)(C)O)CC1)Oc1ccccc1C ZINC000638716448 480839142 /nfs/dbraw/zinc/83/91/42/480839142.db2.gz KHUUHOVUKDLPMK-GOSISDBHSA-N 1 3 334.504 2.977 20 0 EFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000638713103 480839227 /nfs/dbraw/zinc/83/92/27/480839227.db2.gz VHMHSPRDAWDDGC-CTNGQTDRSA-N 1 3 345.531 2.912 20 0 EFADHO CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1CN1CCC(O)CC1)OC ZINC000638718134 480840370 /nfs/dbraw/zinc/84/03/70/480840370.db2.gz DSNABMDIQLUSLU-JXFKEZNVSA-N 1 3 334.504 2.794 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000633033332 480854221 /nfs/dbraw/zinc/85/42/21/480854221.db2.gz AFKANNHUTWJFTD-SFHVURJKSA-N 1 3 348.535 2.521 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000645472585 480856036 /nfs/dbraw/zinc/85/60/36/480856036.db2.gz MOUJDOGRAFJPRX-TZIWHRDSSA-N 1 3 343.515 2.937 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000641180945 480858505 /nfs/dbraw/zinc/85/85/05/480858505.db2.gz IWBUKVHHOOSXEU-QRQLOZEOSA-N 1 3 344.503 2.562 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC[N@@H+]1C ZINC000630729530 480863150 /nfs/dbraw/zinc/86/31/50/480863150.db2.gz OLFLIGAQTLGVDC-VQTJNVASSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)CC[N@H+]1C ZINC000630729530 480863151 /nfs/dbraw/zinc/86/31/51/480863151.db2.gz OLFLIGAQTLGVDC-VQTJNVASSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)(C)[C@@]1(C[NH2+]C[C@]2(O)CCOC2)CCN(Cc2ccccc2)C1 ZINC000638809608 480879020 /nfs/dbraw/zinc/87/90/20/480879020.db2.gz SWYUHXOGGUMRKM-NHCUHLMSSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000638809608 480879023 /nfs/dbraw/zinc/87/90/23/480879023.db2.gz SWYUHXOGGUMRKM-NHCUHLMSSA-N 1 3 346.515 2.666 20 0 EFADHO CC(C)(C)[C@@]1(CNC[C@]2(O)CCOC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000638809608 480879027 /nfs/dbraw/zinc/87/90/27/480879027.db2.gz SWYUHXOGGUMRKM-NHCUHLMSSA-N 1 3 346.515 2.666 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC[NH2+]C1CC1)c1cccc(C(F)(F)F)c1 ZINC000638829104 480886858 /nfs/dbraw/zinc/88/68/58/480886858.db2.gz IXNWCCRYJUFBJX-OAHLLOKOSA-N 1 3 343.393 2.566 20 0 EFADHO CCC[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638829089 480887139 /nfs/dbraw/zinc/88/71/39/480887139.db2.gz IQQZIPUAGLJZOB-WFASDCNBSA-N 1 3 345.409 2.812 20 0 EFADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000638831429 480887953 /nfs/dbraw/zinc/88/79/53/480887953.db2.gz LFIPCDVMDZZDFH-HNNXBMFYSA-N 1 3 345.409 2.812 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833670 480889317 /nfs/dbraw/zinc/88/93/17/480889317.db2.gz ASHZPEAGZADEJM-SJLPKXTDSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833670 480889320 /nfs/dbraw/zinc/88/93/20/480889320.db2.gz ASHZPEAGZADEJM-SJLPKXTDSA-N 1 3 329.488 2.532 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638854482 480898500 /nfs/dbraw/zinc/89/85/00/480898500.db2.gz VTPQLQNNYMSECG-MSOLQXFVSA-N 1 3 337.552 2.730 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638854248 480898593 /nfs/dbraw/zinc/89/85/93/480898593.db2.gz OGZGAJOQKXZEHA-NEWSRXKRSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638854248 480898594 /nfs/dbraw/zinc/89/85/94/480898594.db2.gz OGZGAJOQKXZEHA-NEWSRXKRSA-N 1 3 331.504 2.634 20 0 EFADHO c1ccc([C@H]2C[C@H](NCCN3CCSCC3)CC[N@@H+]2C2CC2)cc1 ZINC000638866644 480903038 /nfs/dbraw/zinc/90/30/38/480903038.db2.gz LRFSNERZCUTAIJ-UYAOXDASSA-N 1 3 345.556 2.993 20 0 EFADHO c1ccc([C@H]2C[C@H](NCCN3CCSCC3)CC[N@H+]2C2CC2)cc1 ZINC000638866644 480903039 /nfs/dbraw/zinc/90/30/39/480903039.db2.gz LRFSNERZCUTAIJ-UYAOXDASSA-N 1 3 345.556 2.993 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000636311858 480903722 /nfs/dbraw/zinc/90/37/22/480903722.db2.gz ZDTPQKWKLBJUIN-SFHVURJKSA-N 1 3 333.520 2.870 20 0 EFADHO Cc1nc(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)n[nH]1 ZINC000638950015 480919411 /nfs/dbraw/zinc/91/94/11/480919411.db2.gz LZEDBVCJIDEVDJ-WMZOPIPTSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1nnc(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)[nH]1 ZINC000638950015 480919414 /nfs/dbraw/zinc/91/94/14/480919414.db2.gz LZEDBVCJIDEVDJ-WMZOPIPTSA-N 1 3 325.460 2.613 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)cc1 ZINC000639001942 480928008 /nfs/dbraw/zinc/92/80/08/480928008.db2.gz SCUDFXPYHGNEDK-CTNGQTDRSA-N 1 3 349.478 2.573 20 0 EFADHO CC1(C)CN[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000645793864 480932306 /nfs/dbraw/zinc/93/23/06/480932306.db2.gz BEZFTWQDAZMQGI-GOSISDBHSA-N 1 3 329.488 2.677 20 0 EFADHO CC(C)[NH2+]CCC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000645853074 480944156 /nfs/dbraw/zinc/94/41/56/480944156.db2.gz PBSQGZFCMOCQTO-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1c(OC(F)F)ccc2ccccc21 ZINC000647493346 480963851 /nfs/dbraw/zinc/96/38/51/480963851.db2.gz GWSJYNFHKBEPEE-UHFFFAOYSA-N 1 3 349.425 2.778 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000647511936 480970736 /nfs/dbraw/zinc/97/07/36/480970736.db2.gz UCIBHGGIXOIHGJ-QGTPRVQTSA-N 1 3 326.444 2.645 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666616102 480985002 /nfs/dbraw/zinc/98/50/02/480985002.db2.gz OOBBZEQCUNOBCH-ZWKOTPCHSA-N 1 3 331.504 2.509 20 0 EFADHO COc1cc2c(cc1CN1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCO2 ZINC000647542751 480990060 /nfs/dbraw/zinc/99/00/60/480990060.db2.gz BKEDKSJMDPYRIW-HUUCEWRRSA-N 1 3 332.444 2.636 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543045 480991480 /nfs/dbraw/zinc/99/14/80/480991480.db2.gz GXVOBSASGXPAFJ-MOPGFXCFSA-N 1 3 328.504 2.893 20 0 EFADHO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1OC ZINC000647543338 480992541 /nfs/dbraw/zinc/99/25/41/480992541.db2.gz LFAFIPSQYCVRIR-HOTGVXAUSA-N 1 3 348.487 2.924 20 0 EFADHO COc1cc(OC)c(CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543317 480992788 /nfs/dbraw/zinc/99/27/88/480992788.db2.gz KYHOVNIQMZCRSX-CVEARBPZSA-N 1 3 348.487 2.924 20 0 EFADHO FC(F)(F)COc1ncccc1CN[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647549513 480995018 /nfs/dbraw/zinc/99/50/18/480995018.db2.gz FIBFATUDPXRWLA-FPMFFAJLSA-N 1 3 329.366 2.500 20 0 EFADHO CC(C)c1ccc(C(C)(C)[NH2+]C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000666652891 481010516 /nfs/dbraw/zinc/01/05/16/481010516.db2.gz ANQOQLXHGXJYBJ-MRXNPFEDSA-N 1 3 331.504 2.832 20 0 EFADHO CN(CC(C)(C)Oc1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000639172836 481017490 /nfs/dbraw/zinc/01/74/90/481017490.db2.gz PKBZLIBAFHCQBN-IBGZPJMESA-N 1 3 345.531 2.944 20 0 EFADHO CN(CC(C)(C)Oc1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000639172836 481017496 /nfs/dbraw/zinc/01/74/96/481017496.db2.gz PKBZLIBAFHCQBN-IBGZPJMESA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666660505 481018053 /nfs/dbraw/zinc/01/80/53/481018053.db2.gz OMIIUTBRRQHCPB-SJLPKXTDSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666660505 481018057 /nfs/dbraw/zinc/01/80/57/481018057.db2.gz OMIIUTBRRQHCPB-SJLPKXTDSA-N 1 3 336.524 2.518 20 0 EFADHO C[C@H](CCNC(=O)N[C@H](CN1CCCCC1)c1ccccc1)[NH+](C)C ZINC000664127630 481038769 /nfs/dbraw/zinc/03/87/69/481038769.db2.gz VLZZFFYCJPTKEY-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CO[C@]1(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CCOC1 ZINC000639196409 481038959 /nfs/dbraw/zinc/03/89/59/481038959.db2.gz ZQKZHDCZQIYKHI-PMACEKPBSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@]1(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196409 481038967 /nfs/dbraw/zinc/03/89/67/481038967.db2.gz ZQKZHDCZQIYKHI-PMACEKPBSA-N 1 3 332.488 2.684 20 0 EFADHO CO[C@]1(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOC1 ZINC000639196409 481038972 /nfs/dbraw/zinc/03/89/72/481038972.db2.gz ZQKZHDCZQIYKHI-PMACEKPBSA-N 1 3 332.488 2.684 20 0 EFADHO C[C@H](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+](C)C ZINC000664127632 481039206 /nfs/dbraw/zinc/03/92/06/481039206.db2.gz VLZZFFYCJPTKEY-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO CN1CCC[C@]2(CC[N@H+](Cc3ccccc3OCCCCO)C2)C1 ZINC000639207908 481046148 /nfs/dbraw/zinc/04/61/48/481046148.db2.gz KZPWWAFFVUNTPO-FQEVSTJZSA-N 1 3 332.488 2.756 20 0 EFADHO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCCCCO)C2)C1 ZINC000639207908 481046152 /nfs/dbraw/zinc/04/61/52/481046152.db2.gz KZPWWAFFVUNTPO-FQEVSTJZSA-N 1 3 332.488 2.756 20 0 EFADHO CN(c1ccccc1C[NH2+][C@H](CO)CC1CCC1)C1CCN(C)CC1 ZINC000641756256 481053114 /nfs/dbraw/zinc/05/31/14/481053114.db2.gz HDHNBCDCXSAGMP-IBGZPJMESA-N 1 3 345.531 2.858 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641755338 481053433 /nfs/dbraw/zinc/05/34/33/481053433.db2.gz WJVRZNMWYIOKLD-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO c1ccc2c(c1)nccc2NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664151068 481054636 /nfs/dbraw/zinc/05/46/36/481054636.db2.gz NYIVSOZWDROFFX-UHFFFAOYSA-N 1 3 325.456 2.960 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1CC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000653110141 481084521 /nfs/dbraw/zinc/08/45/21/481084521.db2.gz ZBTOPZGXWAZIHE-IPMKNSEASA-N 1 3 329.488 2.847 20 0 EFADHO CN(C)CCOc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000653112772 481086842 /nfs/dbraw/zinc/08/68/42/481086842.db2.gz JNMAKPXRPPPQHO-ZDUSSCGKSA-N 1 3 339.867 2.609 20 0 EFADHO CC1(C)[C@@H](N)C[C@@H]1[NH2+]CCOc1cc(F)cc(Br)c1 ZINC000641801180 481087866 /nfs/dbraw/zinc/08/78/66/481087866.db2.gz AWBCGIVYRIZTLQ-STQMWFEESA-N 1 3 331.229 2.682 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000653113804 481088702 /nfs/dbraw/zinc/08/87/02/481088702.db2.gz OGKZODSOJOPGCC-MOPGFXCFSA-N 1 3 329.488 2.638 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000641803884 481088697 /nfs/dbraw/zinc/08/86/97/481088697.db2.gz VVNAUQAHPXEVKS-OLZOCXBDSA-N 1 3 329.366 2.749 20 0 EFADHO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000646105856 481093747 /nfs/dbraw/zinc/09/37/47/481093747.db2.gz JXNRLTYPWIRANS-FQEVSTJZSA-N 1 3 335.451 2.636 20 0 EFADHO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc3c(c2)CNC3)C1 ZINC000646105856 481093752 /nfs/dbraw/zinc/09/37/52/481093752.db2.gz JXNRLTYPWIRANS-FQEVSTJZSA-N 1 3 335.451 2.636 20 0 EFADHO C[C@H](CC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646105963 481094160 /nfs/dbraw/zinc/09/41/60/481094160.db2.gz NMGPXELWGZLQDW-MISYRCLQSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000669405643 481100147 /nfs/dbraw/zinc/10/01/47/481100147.db2.gz ADXPGSGUBYYNGJ-RWQQGDIJSA-N 1 3 344.503 2.591 20 0 EFADHO c1cn(CCCc2ccccc2)c(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647788777 481106088 /nfs/dbraw/zinc/10/60/88/481106088.db2.gz QQAGANBOSKCVNF-XUVXKRRUSA-N 1 3 338.499 2.994 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418999 481107834 /nfs/dbraw/zinc/10/78/34/481107834.db2.gz RWJRQLUXHFUHDE-UOVPBQLFSA-N 1 3 333.545 2.998 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647790246 481108143 /nfs/dbraw/zinc/10/81/43/481108143.db2.gz VBXDUXQTXNOTNF-SVFBPWRDSA-N 1 3 342.531 2.624 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653148526 481109865 /nfs/dbraw/zinc/10/98/65/481109865.db2.gz BCEPXAPOIADTHX-MRXNPFEDSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000669420560 481110625 /nfs/dbraw/zinc/11/06/25/481110625.db2.gz PYRJAAWFJUQKHQ-MOPGFXCFSA-N 1 3 346.519 2.571 20 0 EFADHO [NH3+]C1(CC(=O)N2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CCC1 ZINC000646140264 481118089 /nfs/dbraw/zinc/11/80/89/481118089.db2.gz QBKKKJXOFBGWEZ-HXUWFJFHSA-N 1 3 341.499 2.773 20 0 EFADHO CN(CCCSc1ccccc1Cl)CCN1CC[NH2+]CC1 ZINC000647835674 481133063 /nfs/dbraw/zinc/13/30/63/481133063.db2.gz IEMURCFCROQYEA-UHFFFAOYSA-N 1 3 327.925 2.659 20 0 EFADHO CN(CCC[NH3+])CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000647849536 481137405 /nfs/dbraw/zinc/13/74/05/481137405.db2.gz XKZWCFAJPJZFDP-GOSISDBHSA-N 1 3 331.485 2.624 20 0 EFADHO CC[N@@H+](CCCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000653200996 481146233 /nfs/dbraw/zinc/14/62/33/481146233.db2.gz WLYOFFGUKNCQAU-IBGZPJMESA-N 1 3 331.504 2.890 20 0 EFADHO CC[N@H+](CCCNC(=O)[C@@H](CN)c1ccccc1)C1CCCCC1 ZINC000653200996 481146222 /nfs/dbraw/zinc/14/62/22/481146222.db2.gz WLYOFFGUKNCQAU-IBGZPJMESA-N 1 3 331.504 2.890 20 0 EFADHO CC[N@H+](CCCNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000653200641 481146488 /nfs/dbraw/zinc/14/64/88/481146488.db2.gz LCWRHZJRDKVCIC-IBGZPJMESA-N 1 3 331.504 2.717 20 0 EFADHO CC[N@@H+](CCCNC(=O)[C@@H](N)Cc1ccccc1)C1CCCCC1 ZINC000653200641 481146493 /nfs/dbraw/zinc/14/64/93/481146493.db2.gz LCWRHZJRDKVCIC-IBGZPJMESA-N 1 3 331.504 2.717 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000669479718 481147564 /nfs/dbraw/zinc/14/75/64/481147564.db2.gz QJKNCMLDCPMTAL-RYQLBKOJSA-N 1 3 344.503 2.509 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000646188820 481147655 /nfs/dbraw/zinc/14/76/55/481147655.db2.gz OGLHOTLLSXCPAM-JZXOWHBKSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000669483647 481150251 /nfs/dbraw/zinc/15/02/51/481150251.db2.gz GDVJBSDWBGNIOL-NZSAHSFTSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[C@H]1[NH3+] ZINC000669483645 481150333 /nfs/dbraw/zinc/15/03/33/481150333.db2.gz GDVJBSDWBGNIOL-BHIYHBOVSA-N 1 3 344.503 2.592 20 0 EFADHO CC(C)N(C[C@H](O)COc1cccc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC000647872311 481150298 /nfs/dbraw/zinc/15/02/98/481150298.db2.gz USOVOUBRLISFPV-HKUYNNGSSA-N 1 3 342.483 2.899 20 0 EFADHO CC(C)N(C[C@H](O)COc1cccc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC000647872313 481150593 /nfs/dbraw/zinc/15/05/93/481150593.db2.gz USOVOUBRLISFPV-MJGOQNOKSA-N 1 3 342.483 2.899 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)[C@H](C)CN1 ZINC000669483719 481150482 /nfs/dbraw/zinc/15/04/82/481150482.db2.gz JWENQQYNTYXOLF-ZHALLVOQSA-N 1 3 344.503 2.605 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483566 481151320 /nfs/dbraw/zinc/15/13/20/481151320.db2.gz BIGBGGRPAOTTEI-OALUTQOASA-N 1 3 344.503 2.607 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)N[C@@H]1CCC[NH2+]CC1 ZINC000666857965 481151835 /nfs/dbraw/zinc/15/18/35/481151835.db2.gz RHSZLMHWFHFKSZ-GOEBONIOSA-N 1 3 337.895 2.809 20 0 EFADHO CCC[NH2+]CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483892 481152068 /nfs/dbraw/zinc/15/20/68/481152068.db2.gz QTSSCJOUXASDAX-SFHVURJKSA-N 1 3 332.492 2.512 20 0 EFADHO O=C(NCC[C@H]1CC[NH2+]C1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483864 481152091 /nfs/dbraw/zinc/15/20/91/481152091.db2.gz PVRVCXSVRVJDJA-IEBWSBKVSA-N 1 3 344.503 2.512 20 0 EFADHO O=C(NC[C@H]1CCCC[NH2+]1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483999 481152140 /nfs/dbraw/zinc/15/21/40/481152140.db2.gz XUYYGAATIYLSIZ-RTBURBONSA-N 1 3 344.503 2.655 20 0 EFADHO CC[NH2+]CCCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000669483975 481152626 /nfs/dbraw/zinc/15/26/26/481152626.db2.gz WLZBRMUXPBJMJU-SFHVURJKSA-N 1 3 332.492 2.512 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669487051 481154104 /nfs/dbraw/zinc/15/41/04/481154104.db2.gz CFHZDKOGMVXKND-APWZRJJASA-N 1 3 344.503 2.653 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000646219010 481162904 /nfs/dbraw/zinc/16/29/04/481162904.db2.gz AUOTWTMZLAZGAK-FQEVSTJZSA-N 1 3 342.483 2.662 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000646219010 481162911 /nfs/dbraw/zinc/16/29/11/481162911.db2.gz AUOTWTMZLAZGAK-FQEVSTJZSA-N 1 3 342.483 2.662 20 0 EFADHO O=C(NCC1CC[NH+](CC2CC2)CC1)Nc1ccc2c(c1)CNCC2 ZINC000659018981 481164255 /nfs/dbraw/zinc/16/42/55/481164255.db2.gz UOMJYIOAZXGFBO-UHFFFAOYSA-N 1 3 342.487 2.576 20 0 EFADHO CNCc1cccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000659018495 481164858 /nfs/dbraw/zinc/16/48/58/481164858.db2.gz HWPLMXRLBVMFDL-UHFFFAOYSA-N 1 3 330.476 2.650 20 0 EFADHO CCCN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CCN(C)C1 ZINC000646227074 481168788 /nfs/dbraw/zinc/16/87/88/481168788.db2.gz DKUSWXPORGVPRV-KRWDZBQOSA-N 1 3 348.491 2.575 20 0 EFADHO CC(C)(O)CN1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000647908963 481176238 /nfs/dbraw/zinc/17/62/38/481176238.db2.gz BDPDPIMIWWINOZ-UHFFFAOYSA-N 1 3 332.488 2.800 20 0 EFADHO C[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[NH+](C)C ZINC000664341943 481189118 /nfs/dbraw/zinc/18/91/18/481189118.db2.gz NXHBRWUEJHZCRW-AOIWGVFYSA-N 1 3 346.519 2.679 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cc1=O ZINC000647933776 481192124 /nfs/dbraw/zinc/19/21/24/481192124.db2.gz LYVYLEBYRCOEIU-PMACEKPBSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC[C@H]2[C@H](CN)Cc2ccccc2)cc1=O ZINC000647933776 481192134 /nfs/dbraw/zinc/19/21/34/481192134.db2.gz LYVYLEBYRCOEIU-PMACEKPBSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(CN2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1=O ZINC000647933776 481192141 /nfs/dbraw/zinc/19/21/41/481192141.db2.gz LYVYLEBYRCOEIU-PMACEKPBSA-N 1 3 339.483 2.557 20 0 EFADHO CC[C@H]1CN(CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000647936843 481194460 /nfs/dbraw/zinc/19/44/60/481194460.db2.gz MCIFKHKYGFRIHL-WMZOPIPTSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1N ZINC000647936843 481194470 /nfs/dbraw/zinc/19/44/70/481194470.db2.gz MCIFKHKYGFRIHL-WMZOPIPTSA-N 1 3 342.491 2.570 20 0 EFADHO CC[C@H]1C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)CC[C@@H]1N ZINC000647936843 481194477 /nfs/dbraw/zinc/19/44/77/481194477.db2.gz MCIFKHKYGFRIHL-WMZOPIPTSA-N 1 3 342.491 2.570 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCCC1CC[NH2+]CC1 ZINC000653272529 481195140 /nfs/dbraw/zinc/19/51/40/481195140.db2.gz RYUYUBRHYZEOPT-UHFFFAOYSA-N 1 3 329.444 2.614 20 0 EFADHO CC[C@@H]1CN(CCC(=O)Nc2cc(Cl)ccc2OC)CC[C@H]1[NH3+] ZINC000647939021 481200813 /nfs/dbraw/zinc/20/08/13/481200813.db2.gz ZEJRZCWWLNJCKV-TZMCWYRMSA-N 1 3 339.867 2.736 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(C)([NH3+])CC1 ZINC000669562615 481208841 /nfs/dbraw/zinc/20/88/41/481208841.db2.gz ZWFLQAMKIFMTNE-SFHVURJKSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H]1CC12CC[NH2+]CC2 ZINC000666950869 481215320 /nfs/dbraw/zinc/21/53/20/481215320.db2.gz OBPDZDILGOTPQR-GOSISDBHSA-N 1 3 328.435 2.860 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C[C@@H](C)O1 ZINC000647966223 481217637 /nfs/dbraw/zinc/21/76/37/481217637.db2.gz GSWNHDIBVFXXFP-IZBJGVDFSA-N 1 3 338.536 2.749 20 0 EFADHO FC(F)(F)c1ccc(CCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647966842 481217744 /nfs/dbraw/zinc/21/77/44/481217744.db2.gz ICTWMVCBJGYBOJ-KRWDZBQOSA-N 1 3 341.421 2.618 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](CN2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000647964620 481219020 /nfs/dbraw/zinc/21/90/20/481219020.db2.gz QVWVZNHOEVMJOS-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000647964620 481219030 /nfs/dbraw/zinc/21/90/30/481219030.db2.gz QVWVZNHOEVMJOS-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](CN3CCCC3)C2)C1 ZINC000647964620 481219040 /nfs/dbraw/zinc/21/90/40/481219040.db2.gz QVWVZNHOEVMJOS-ROUUACIJSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1cccc(Cl)c1 ZINC000647974891 481225163 /nfs/dbraw/zinc/22/51/63/481225163.db2.gz AMVYLONNIYGXLM-SJORKVTESA-N 1 3 349.906 2.668 20 0 EFADHO Cc1ccc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000647975238 481225229 /nfs/dbraw/zinc/22/52/29/481225229.db2.gz RXJYSZLMARJWLK-ROUUACIJSA-N 1 3 329.488 2.954 20 0 EFADHO Cc1cc(C)cc(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647974906 481226387 /nfs/dbraw/zinc/22/63/87/481226387.db2.gz AXJJEHJHZQHCMS-ROUUACIJSA-N 1 3 329.488 2.954 20 0 EFADHO C[C@H](C(=O)NCCc1cccs1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975734 481227092 /nfs/dbraw/zinc/22/70/92/481227092.db2.gz FJNWOGUESRUJEL-IKGGRYGDSA-N 1 3 349.544 2.507 20 0 EFADHO CC1CCC(N(C)C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000647975543 481228406 /nfs/dbraw/zinc/22/84/06/481228406.db2.gz BQLFCJSXVYDYRJ-CXUOOODFSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H](C(=O)NCc1ccccc1F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975779 481228567 /nfs/dbraw/zinc/22/85/67/481228567.db2.gz FTWXZDHZBOPPNJ-RYRKJORJSA-N 1 3 347.478 2.542 20 0 EFADHO C[C@H](C(=O)NCc1ccc(F)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975979 481229330 /nfs/dbraw/zinc/22/93/30/481229330.db2.gz IJRACNMLOOWHCR-KBAYOESNSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976193 481230037 /nfs/dbraw/zinc/23/00/37/481230037.db2.gz LHOKLYRYHDJNHF-DFQSSKMNSA-N 1 3 343.515 2.711 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976994 481231878 /nfs/dbraw/zinc/23/18/78/481231878.db2.gz WQVARBCZMKAYOF-ZWKOTPCHSA-N 1 3 330.472 2.980 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976577 481232042 /nfs/dbraw/zinc/23/20/42/481232042.db2.gz QILONNZZCDISDQ-ULQDDVLXSA-N 1 3 345.487 2.734 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N(C1CC1)C1CCCC1 ZINC000647977795 481234425 /nfs/dbraw/zinc/23/44/25/481234425.db2.gz HRHKBSBWFKWNOJ-IRXDYDNUSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977255 481234586 /nfs/dbraw/zinc/23/45/86/481234586.db2.gz ZQQJMCZDMNOSCH-QUCCMNQESA-N 1 3 343.515 2.665 20 0 EFADHO CN(CC1CCCCC1)C(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978137 481234917 /nfs/dbraw/zinc/23/49/17/481234917.db2.gz NCDZDARKKOFMGE-OALUTQOASA-N 1 3 335.536 2.737 20 0 EFADHO CC1CC[NH+](CCCCNC(=O)N(C)CCN2CCCCC2)CC1 ZINC000650656347 481242412 /nfs/dbraw/zinc/24/24/12/481242412.db2.gz DBSHTWXYKLNHJC-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000642694775 481244582 /nfs/dbraw/zinc/24/45/82/481244582.db2.gz YQAFSXILFYLYPO-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(-c2nn(C)cc2CN2CCC(OCC[NH+](C)C)CC2)o1 ZINC000648007935 481257769 /nfs/dbraw/zinc/25/77/69/481257769.db2.gz IXIMBYFWSDBZOV-UHFFFAOYSA-N 1 3 346.475 2.531 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H](c4cccnc4)C3)C2)CC1 ZINC000669682048 481266039 /nfs/dbraw/zinc/26/60/39/481266039.db2.gz POYKMNHPPWDMCU-IHPCNDPISA-N 1 3 342.531 2.866 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@@H](c4cccnc4)C3)C2)CC1 ZINC000669682047 481266610 /nfs/dbraw/zinc/26/66/10/481266610.db2.gz POYKMNHPPWDMCU-HOJAQTOUSA-N 1 3 342.531 2.866 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000667038348 481271261 /nfs/dbraw/zinc/27/12/61/481271261.db2.gz KEJSBSXXRQHPON-NRFANRHFSA-N 1 3 339.483 2.774 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nccc3ccccc32)CC1 ZINC000667041734 481272145 /nfs/dbraw/zinc/27/21/45/481272145.db2.gz MIHNVTXFBSLDLG-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO CCOc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000650705536 481272617 /nfs/dbraw/zinc/27/26/17/481272617.db2.gz KVKVYFUKEFIKSF-YQVWRLOYSA-N 1 3 348.487 2.812 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000667042258 481274971 /nfs/dbraw/zinc/27/49/71/481274971.db2.gz KEEYSZKUOZXYFG-UXHICEINSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3c[nH]c(-c4ccccc4)n3)C2)C1 ZINC000650706404 481275228 /nfs/dbraw/zinc/27/52/28/481275228.db2.gz JTTNBHYHIIKMKE-SCTDSRPQSA-N 1 3 340.471 2.795 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)C1 ZINC000650706404 481275237 /nfs/dbraw/zinc/27/52/37/481275237.db2.gz JTTNBHYHIIKMKE-SCTDSRPQSA-N 1 3 340.471 2.795 20 0 EFADHO COc1ccccc1/C=C/CN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706085 481275957 /nfs/dbraw/zinc/27/59/57/481275957.db2.gz CXKMQZLITRTYEJ-NOZKIQCPSA-N 1 3 330.472 2.927 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3c[nH]nc3-c3cccs3)C2)C1 ZINC000650706149 481276711 /nfs/dbraw/zinc/27/67/11/481276711.db2.gz FHZGPPLVSNMOQH-BMFZPTHFSA-N 1 3 346.500 2.857 20 0 EFADHO O=C(CC1CC[NH2+]CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646410176 481280331 /nfs/dbraw/zinc/28/03/31/481280331.db2.gz VREPIGFREJSNIO-LJQANCHMSA-N 1 3 329.488 2.720 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000646408850 481281241 /nfs/dbraw/zinc/28/12/41/481281241.db2.gz NSYAKBRQCKZJGY-RBUKOAKNSA-N 1 3 329.488 2.862 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3ccc4cnccc4c3)CC2)C1 ZINC000667054171 481282067 /nfs/dbraw/zinc/28/20/67/481282067.db2.gz SDUHTOIGWDYSAK-WOJBJXKFSA-N 1 3 325.456 2.953 20 0 EFADHO COc1cccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2F)c1 ZINC000650717795 481285212 /nfs/dbraw/zinc/28/52/12/481285212.db2.gz MTIIYBLOCXQVLW-CYBMUJFWSA-N 1 3 345.418 2.800 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000650717993 481286729 /nfs/dbraw/zinc/28/67/29/481286729.db2.gz UABLMRGPYSWIOK-CYBMUJFWSA-N 1 3 345.418 2.800 20 0 EFADHO Cc1ccc2ncc(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)n2c1 ZINC000650723042 481293254 /nfs/dbraw/zinc/29/32/54/481293254.db2.gz GQQAIQSZAWDIHK-CGTJXYLNSA-N 1 3 328.460 2.504 20 0 EFADHO CC(C)N(C)c1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650725066 481294843 /nfs/dbraw/zinc/29/48/43/481294843.db2.gz SNWCHGLXEUNKRH-GUDVDZBRSA-N 1 3 346.519 2.787 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000643080895 481309408 /nfs/dbraw/zinc/30/94/08/481309408.db2.gz DEHMHTLABCXTCY-VQTJNVASSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCN1C ZINC000659263781 481318329 /nfs/dbraw/zinc/31/83/29/481318329.db2.gz DZCKHYANFGZHPJ-OLMNPRSZSA-N 1 3 329.488 2.620 20 0 EFADHO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1oc2ccccc2c1CN(C)C ZINC000646472635 481319835 /nfs/dbraw/zinc/31/98/35/481319835.db2.gz ISHYBRISWYRGDM-XJKSGUPXSA-N 1 3 329.444 2.659 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[NH+]2CCCCC2)N(C)C)cc1 ZINC000650779646 481337063 /nfs/dbraw/zinc/33/70/63/481337063.db2.gz ITPFOMLPCKSXEV-LJQANCHMSA-N 1 3 346.519 2.725 20 0 EFADHO CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659288483 481338142 /nfs/dbraw/zinc/33/81/42/481338142.db2.gz YIKLFLPDGKIUHL-ZHALLVOQSA-N 1 3 327.472 2.696 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000659287440 481339279 /nfs/dbraw/zinc/33/92/79/481339279.db2.gz OKUFKZNHPSLIAY-AEFFLSMTSA-N 1 3 341.499 2.817 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CC3(CCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000659287440 481339287 /nfs/dbraw/zinc/33/92/87/481339287.db2.gz OKUFKZNHPSLIAY-AEFFLSMTSA-N 1 3 341.499 2.817 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCC(C)(C)[NH3+] ZINC000648151598 481346078 /nfs/dbraw/zinc/34/60/78/481346078.db2.gz VEQHCMMOCOEVLA-UHFFFAOYSA-N 1 3 325.884 2.748 20 0 EFADHO CC(C)([NH3+])CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153232 481346346 /nfs/dbraw/zinc/34/63/46/481346346.db2.gz ZQSCSAJDFDVGQS-UHFFFAOYSA-N 1 3 337.895 2.892 20 0 EFADHO [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCc3ccc4c(c3)CNC4)cc21 ZINC000659304523 481348811 /nfs/dbraw/zinc/34/88/11/481348811.db2.gz NXLFTWJESPHTNO-KRWDZBQOSA-N 1 3 335.451 2.598 20 0 EFADHO CCc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c2ccccc2n1 ZINC000664599944 481360988 /nfs/dbraw/zinc/36/09/88/481360988.db2.gz QBHHZFFZOVPYTL-KRWDZBQOSA-N 1 3 325.456 2.833 20 0 EFADHO CCc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c2ccccc2n1 ZINC000664599944 481360993 /nfs/dbraw/zinc/36/09/93/481360993.db2.gz QBHHZFFZOVPYTL-KRWDZBQOSA-N 1 3 325.456 2.833 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCCOC(C)(C)C)CC2)CC1 ZINC000643255255 481366226 /nfs/dbraw/zinc/36/62/26/481366226.db2.gz PEUBFUXQBNKPAM-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCCOC(C)(C)C)CC2)CC1 ZINC000643255255 481366234 /nfs/dbraw/zinc/36/62/34/481366234.db2.gz PEUBFUXQBNKPAM-UHFFFAOYSA-N 1 3 325.541 2.684 20 0 EFADHO CN1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000653618096 481366824 /nfs/dbraw/zinc/36/68/24/481366824.db2.gz IBLWDZOBCJAELC-RDTXWAMCSA-N 1 3 330.476 2.699 20 0 EFADHO CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CCN(C)C1 ZINC000667195669 481391900 /nfs/dbraw/zinc/39/19/00/481391900.db2.gz CCQXMDFPVOXYGD-WMZOPIPTSA-N 1 3 330.476 2.793 20 0 EFADHO CCCN1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000667195800 481392080 /nfs/dbraw/zinc/39/20/80/481392080.db2.gz GYRCQMZSQVBAIT-WMZOPIPTSA-N 1 3 330.476 2.841 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000661899594 481402279 /nfs/dbraw/zinc/40/22/79/481402279.db2.gz YCEDXZRRAZWXPC-IEBWSBKVSA-N 1 3 346.519 2.709 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000646627179 481409162 /nfs/dbraw/zinc/40/91/62/481409162.db2.gz VRMNCKAVECGYMV-SFHVURJKSA-N 1 3 338.455 2.652 20 0 EFADHO CC[N@H+](CCCNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000650877509 481409676 /nfs/dbraw/zinc/40/96/76/481409676.db2.gz XSSBJJRWVVBSOJ-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO CC[N@@H+](CCCNC(=O)N[C@H]1CCN(C2CC2)C1)C1CCCCC1 ZINC000650877509 481409685 /nfs/dbraw/zinc/40/96/85/481409685.db2.gz XSSBJJRWVVBSOJ-INIZCTEOSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639683518 481425874 /nfs/dbraw/zinc/42/58/74/481425874.db2.gz ITVQZQCNENGAON-YLJYHZDGSA-N 1 3 325.456 2.758 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639683518 481425882 /nfs/dbraw/zinc/42/58/82/481425882.db2.gz ITVQZQCNENGAON-YLJYHZDGSA-N 1 3 325.456 2.758 20 0 EFADHO c1cnn([C@H]2CCN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000643352367 481428643 /nfs/dbraw/zinc/42/86/43/481428643.db2.gz PWFQNMBWUWKNLK-IBGZPJMESA-N 1 3 340.471 2.805 20 0 EFADHO Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639702925 481440929 /nfs/dbraw/zinc/44/09/29/481440929.db2.gz HMNYMUFHDHJNFO-UHFFFAOYSA-N 1 3 338.455 2.931 20 0 EFADHO Cc1ccccc1NC(=O)CC[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639702925 481440933 /nfs/dbraw/zinc/44/09/33/481440933.db2.gz HMNYMUFHDHJNFO-UHFFFAOYSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCC2)CCN1Cc1ccccc1 ZINC000659463608 481449949 /nfs/dbraw/zinc/44/99/49/481449949.db2.gz AXMSYQPLWJSSPD-FUHWJXTLSA-N 1 3 344.503 2.610 20 0 EFADHO CN(CCN1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000650958651 481465930 /nfs/dbraw/zinc/46/59/30/481465930.db2.gz OMIVXVVPXWQRGE-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO CC(C)(CC[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000643437759 481469174 /nfs/dbraw/zinc/46/91/74/481469174.db2.gz JQGCYPZHMUXBJY-QGZVFWFLSA-N 1 3 332.492 2.640 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513793 481476462 /nfs/dbraw/zinc/47/64/62/481476462.db2.gz ZYZGVRCTZLUGFC-QZTJIDSGSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513793 481476469 /nfs/dbraw/zinc/47/64/69/481476469.db2.gz ZYZGVRCTZLUGFC-QZTJIDSGSA-N 1 3 332.492 2.593 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659512926 481476669 /nfs/dbraw/zinc/47/66/69/481476669.db2.gz RWYOZMOENNXRPW-ZWKOTPCHSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659512926 481476675 /nfs/dbraw/zinc/47/66/75/481476675.db2.gz RWYOZMOENNXRPW-ZWKOTPCHSA-N 1 3 346.519 2.982 20 0 EFADHO FC(F)(F)c1ccc(CCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000643456690 481477090 /nfs/dbraw/zinc/47/70/90/481477090.db2.gz ZXHLHOBHJDECBD-GVDBMIGSSA-N 1 3 342.405 2.995 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659512922 481477190 /nfs/dbraw/zinc/47/71/90/481477190.db2.gz RWYOZMOENNXRPW-MSOLQXFVSA-N 1 3 346.519 2.982 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659512922 481477196 /nfs/dbraw/zinc/47/71/96/481477196.db2.gz RWYOZMOENNXRPW-MSOLQXFVSA-N 1 3 346.519 2.982 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513795 481477664 /nfs/dbraw/zinc/47/76/64/481477664.db2.gz ZYZGVRCTZLUGFC-ZWKOTPCHSA-N 1 3 332.492 2.593 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000659513795 481477670 /nfs/dbraw/zinc/47/76/70/481477670.db2.gz ZYZGVRCTZLUGFC-ZWKOTPCHSA-N 1 3 332.492 2.593 20 0 EFADHO Cc1csc(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000643460732 481478928 /nfs/dbraw/zinc/47/89/28/481478928.db2.gz MUDQAFDLAWHGGT-QAPCUYQASA-N 1 3 329.469 2.840 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643464027 481480481 /nfs/dbraw/zinc/48/04/81/481480481.db2.gz WXZIDHLSTBNINZ-NCXUSEDFSA-N 1 3 332.488 2.553 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000646776322 481481878 /nfs/dbraw/zinc/48/18/78/481481878.db2.gz CCYVRQLKRBOEMZ-SJLPKXTDSA-N 1 3 347.503 2.653 20 0 EFADHO CC(C)[C@@H]([NH3+])CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000646776320 481482689 /nfs/dbraw/zinc/48/26/89/481482689.db2.gz CCYVRQLKRBOEMZ-AEFFLSMTSA-N 1 3 347.503 2.653 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469408 481482809 /nfs/dbraw/zinc/48/28/09/481482809.db2.gz SPMCBTUTQOROBL-RCBQFDQVSA-N 1 3 341.293 2.724 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)ncn1 ZINC000643474326 481484515 /nfs/dbraw/zinc/48/45/15/481484515.db2.gz AVVAWWPLDGSURP-WDSOQIARSA-N 1 3 345.535 2.908 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368894 481486154 /nfs/dbraw/zinc/48/61/54/481486154.db2.gz TZTFZEVXIKTHIS-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368894 481486159 /nfs/dbraw/zinc/48/61/59/481486159.db2.gz TZTFZEVXIKTHIS-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000637371110 481487054 /nfs/dbraw/zinc/48/70/54/481487054.db2.gz XINLAUPQYNUPBO-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCN2C2CCCCC2)CC1 ZINC000637369649 481488006 /nfs/dbraw/zinc/48/80/06/481488006.db2.gz AQLNNYPSYQVVPJ-SFHVURJKSA-N 1 3 336.524 2.565 20 0 EFADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372595 481489928 /nfs/dbraw/zinc/48/99/28/481489928.db2.gz LGOGHNWOBHEKIK-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCN2C2CCCCC2)C1 ZINC000637372595 481489931 /nfs/dbraw/zinc/48/99/31/481489931.db2.gz LGOGHNWOBHEKIK-BHIYHBOVSA-N 1 3 348.535 2.519 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000637374378 481490957 /nfs/dbraw/zinc/49/09/57/481490957.db2.gz WWOCURWARVOBLK-MJGOQNOKSA-N 1 3 348.535 2.521 20 0 EFADHO F[C@@H]1CN[C@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000643538674 481498367 /nfs/dbraw/zinc/49/83/67/481498367.db2.gz REYKNRGYLGMTNA-FSGKZVOOSA-N 1 3 331.479 2.719 20 0 EFADHO Cc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CCNC3(CCC3)C2)cc1 ZINC000643547366 481500619 /nfs/dbraw/zinc/50/06/19/481500619.db2.gz DJWLKVLRZZUPRG-RBUKOAKNSA-N 1 3 339.487 2.982 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659574112 481500747 /nfs/dbraw/zinc/50/07/47/481500747.db2.gz RTESXIYISLNHKC-KRWDZBQOSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC1([NH3+])CCCC1 ZINC000659574114 481501090 /nfs/dbraw/zinc/50/10/90/481501090.db2.gz RTESXIYISLNHKC-QGZVFWFLSA-N 1 3 344.503 2.564 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000643546437 481501664 /nfs/dbraw/zinc/50/16/64/481501664.db2.gz OWIPAXVDAQJDNL-CABCVRRESA-N 1 3 331.460 2.677 20 0 EFADHO COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000643546437 481501672 /nfs/dbraw/zinc/50/16/72/481501672.db2.gz OWIPAXVDAQJDNL-CABCVRRESA-N 1 3 331.460 2.677 20 0 EFADHO C[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000643545928 481502061 /nfs/dbraw/zinc/50/20/61/481502061.db2.gz FUXJRXNTINACDV-AEFFLSMTSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000664865760 481525283 /nfs/dbraw/zinc/52/52/83/481525283.db2.gz LDDQZESUFIHYJY-SZMVWBNQSA-N 1 3 346.519 2.850 20 0 EFADHO C[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC000664865760 481525286 /nfs/dbraw/zinc/52/52/86/481525286.db2.gz LDDQZESUFIHYJY-SZMVWBNQSA-N 1 3 346.519 2.850 20 0 EFADHO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CCO1 ZINC000648426666 481538202 /nfs/dbraw/zinc/53/82/02/481538202.db2.gz MCSKESCZGGHCRU-LEWJYISDSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000637451778 481539644 /nfs/dbraw/zinc/53/96/44/481539644.db2.gz QZQATIAWJBSHMM-LJQANCHMSA-N 1 3 346.519 2.586 20 0 EFADHO CSc1c(F)cccc1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000667415200 481540592 /nfs/dbraw/zinc/54/05/92/481540592.db2.gz LQPXLLXLYLIENY-UHFFFAOYSA-N 1 3 342.484 2.505 20 0 EFADHO O=C(NC[C@H]1CCN1C1CCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000637473806 481555197 /nfs/dbraw/zinc/55/51/97/481555197.db2.gz TYPYGGMGDYQLSM-LJQANCHMSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648450528 481555941 /nfs/dbraw/zinc/55/59/41/481555941.db2.gz RGFBOTUPTKCSAA-KDOFPFPSSA-N 1 3 337.458 2.826 20 0 EFADHO CC[C@@H]1CN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)CC[C@H]1[NH3+] ZINC000637518649 481582169 /nfs/dbraw/zinc/58/21/69/481582169.db2.gz OVKRMFZVGWIXHC-ZTFGCOKTSA-N 1 3 332.492 2.579 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CCC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646987425 481588303 /nfs/dbraw/zinc/58/83/03/481588303.db2.gz WWIRZCPNFWBIRF-PXNSSMCTSA-N 1 3 343.515 2.588 20 0 EFADHO CC[NH+](CC)CCOCCNCc1cc2cc(Cl)cnc2o1 ZINC000648517132 481589718 /nfs/dbraw/zinc/58/97/18/481589718.db2.gz KFPHNZBFSCUKKK-UHFFFAOYSA-N 1 3 325.840 2.929 20 0 EFADHO C[C@@H](C(=O)N1CCC(C)([NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000646991626 481590100 /nfs/dbraw/zinc/59/01/00/481590100.db2.gz HXWGJCUPEIMIEA-KRWDZBQOSA-N 1 3 343.515 2.669 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654045585 481606764 /nfs/dbraw/zinc/60/67/64/481606764.db2.gz XXDGDKBPUZBCGA-RBUKOAKNSA-N 1 3 344.503 2.929 20 0 EFADHO C[C@H](CCNC(=O)NCC1(N(C)Cc2ccccc2)CCC1)[NH+](C)C ZINC000665018544 481621272 /nfs/dbraw/zinc/62/12/72/481621272.db2.gz UZLHYHICSDUYSM-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647064221 481623601 /nfs/dbraw/zinc/62/36/01/481623601.db2.gz MAHXLSMUZVAVFI-DLBZAZTESA-N 1 3 347.503 2.797 20 0 EFADHO C[C@@H](CCCc1cccnc1)[NH2+][C@@H]1CCN(C2CCN(C)CC2)C1 ZINC000651228311 481644402 /nfs/dbraw/zinc/64/44/02/481644402.db2.gz OTNOYNPUAVPSOI-PKOBYXMFSA-N 1 3 330.520 2.551 20 0 EFADHO C[C@@H](CCCc1cccnc1)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000651228308 481645092 /nfs/dbraw/zinc/64/50/92/481645092.db2.gz OTNOYNPUAVPSOI-HKUYNNGSSA-N 1 3 330.520 2.551 20 0 EFADHO C[C@@H]1CN(CC[N@@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000659945686 481658915 /nfs/dbraw/zinc/65/89/15/481658915.db2.gz BXBHVMBPFAYMQS-SLFFLAALSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1CN(CC[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000659945686 481658921 /nfs/dbraw/zinc/65/89/21/481658921.db2.gz BXBHVMBPFAYMQS-SLFFLAALSA-N 1 3 345.531 2.692 20 0 EFADHO CCN(Cc1cccc2c1CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000662249896 481666071 /nfs/dbraw/zinc/66/60/71/481666071.db2.gz UOZFQHKRKHIRND-SFHVURJKSA-N 1 3 338.451 2.994 20 0 EFADHO CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662256859 481670292 /nfs/dbraw/zinc/67/02/92/481670292.db2.gz LTEGRAIHSLBSCO-MOPGFXCFSA-N 1 3 329.488 2.554 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974917 481674574 /nfs/dbraw/zinc/67/45/74/481674574.db2.gz LCSRANFIHMYCKP-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659974917 481674583 /nfs/dbraw/zinc/67/45/83/481674583.db2.gz LCSRANFIHMYCKP-ROUUACIJSA-N 1 3 337.552 2.935 20 0 EFADHO c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662259973 481674890 /nfs/dbraw/zinc/67/48/90/481674890.db2.gz DAUKASSUZALPMD-SFHVURJKSA-N 1 3 347.466 2.755 20 0 EFADHO c1ccn2c(c1)nnc2[C@H]1CCC[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662259973 481674896 /nfs/dbraw/zinc/67/48/96/481674896.db2.gz DAUKASSUZALPMD-SFHVURJKSA-N 1 3 347.466 2.755 20 0 EFADHO c1ccc(COCCN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000659975232 481675865 /nfs/dbraw/zinc/67/58/65/481675865.db2.gz WAUFUBWQLLRLTM-UHFFFAOYSA-N 1 3 332.488 2.780 20 0 EFADHO COc1cccc(SCCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000662272256 481680940 /nfs/dbraw/zinc/68/09/40/481680940.db2.gz DGRDCZHSTMWTJC-MSOLQXFVSA-N 1 3 336.501 2.616 20 0 EFADHO CCN(C(=O)CN1CCC([C@@H]2CCC[NH2+]C2)CC1)C1CCCCC1 ZINC000662290251 481690887 /nfs/dbraw/zinc/69/08/87/481690887.db2.gz OBTNDEWHNBXPPB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662285773 481690944 /nfs/dbraw/zinc/69/09/44/481690944.db2.gz MZJNMGUUGDXSNZ-IEBWSBKVSA-N 1 3 330.472 2.613 20 0 EFADHO COc1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCC3(CNC3)O2)cc1 ZINC000662285773 481690948 /nfs/dbraw/zinc/69/09/48/481690948.db2.gz MZJNMGUUGDXSNZ-IEBWSBKVSA-N 1 3 330.472 2.613 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000648719310 481693441 /nfs/dbraw/zinc/69/34/41/481693441.db2.gz KORNADKXVDFZFM-AQNXPRMDSA-N 1 3 332.488 2.752 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000648719310 481693451 /nfs/dbraw/zinc/69/34/51/481693451.db2.gz KORNADKXVDFZFM-AQNXPRMDSA-N 1 3 332.488 2.752 20 0 EFADHO CN(C)C(=O)c1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662291803 481694630 /nfs/dbraw/zinc/69/46/30/481694630.db2.gz KMGOLDCCGLOCRU-IBGZPJMESA-N 1 3 329.488 2.600 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291496 481695881 /nfs/dbraw/zinc/69/58/81/481695881.db2.gz VCAVRDZUOGXOOQ-FXAWDEMLSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662294065 481696877 /nfs/dbraw/zinc/69/68/77/481696877.db2.gz ARGQOKDYRVUABI-ZBFHGGJFSA-N 1 3 335.517 2.637 20 0 EFADHO O[C@]1(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010113 481697988 /nfs/dbraw/zinc/69/79/88/481697988.db2.gz FVZPAXWBNOOKQN-HKBOAZHASA-N 1 3 344.499 2.514 20 0 EFADHO O[C@]1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCOC1 ZINC000660010113 481697994 /nfs/dbraw/zinc/69/79/94/481697994.db2.gz FVZPAXWBNOOKQN-HKBOAZHASA-N 1 3 344.499 2.514 20 0 EFADHO C[C@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccs1 ZINC000662294063 481698639 /nfs/dbraw/zinc/69/86/39/481698639.db2.gz ARGQOKDYRVUABI-GOEBONIOSA-N 1 3 335.517 2.637 20 0 EFADHO C[C@@H](C(=O)NCCc1cccs1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294070 481701331 /nfs/dbraw/zinc/70/13/31/481701331.db2.gz ATYSXDXFHKBGPD-DOTOQJQBSA-N 1 3 349.544 2.507 20 0 EFADHO Cc1ccccc1CNC(=O)[C@H](C)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297211 481702397 /nfs/dbraw/zinc/70/23/97/481702397.db2.gz OLAXDTANFLPXHK-FXAWDEMLSA-N 1 3 343.515 2.711 20 0 EFADHO C[C@@H](C(=O)N1CCc2ccccc21)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296738 481704055 /nfs/dbraw/zinc/70/40/55/481704055.db2.gz MIKFIBGCZAEUKC-QFBILLFUSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298628 481704541 /nfs/dbraw/zinc/70/45/41/481704541.db2.gz WKPBEMZIDJPCAT-FXAWDEMLSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H](NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000662297549 481704714 /nfs/dbraw/zinc/70/47/14/481704714.db2.gz RFTYJENFYKYQIP-CRAIPNDOSA-N 1 3 347.478 2.715 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298376 481706385 /nfs/dbraw/zinc/70/63/85/481706385.db2.gz VUSWCIDTXRLSFZ-SQGPQFPESA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[N@@H+]1C ZINC000648745722 481712528 /nfs/dbraw/zinc/71/25/28/481712528.db2.gz NBVUJDFYYDGTSR-MISYRCLQSA-N 1 3 343.515 2.916 20 0 EFADHO C[C@@H]1[C@H](C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CC[N@H+]1C ZINC000648745722 481712534 /nfs/dbraw/zinc/71/25/34/481712534.db2.gz NBVUJDFYYDGTSR-MISYRCLQSA-N 1 3 343.515 2.916 20 0 EFADHO Cc1ccccc1C[C@H](C)NC(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662311242 481715892 /nfs/dbraw/zinc/71/58/92/481715892.db2.gz AKEKWMMLNQBIEC-WSTZPKSXSA-N 1 3 345.531 2.882 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CN2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000667658526 481716390 /nfs/dbraw/zinc/71/63/90/481716390.db2.gz ISQXFJDCILGTSU-YSIASYRMSA-N 1 3 346.519 2.838 20 0 EFADHO CCOc1ccc(NC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313367 481716478 /nfs/dbraw/zinc/71/64/78/481716478.db2.gz LFYBXEQYJQXKNB-CRAIPNDOSA-N 1 3 333.476 2.863 20 0 EFADHO c1c(C2CCN(Cc3cccnc3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326758 481728431 /nfs/dbraw/zinc/72/84/31/481728431.db2.gz BHNRBKAVKMRIJC-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO c1c(C2CC[NH2+]CC2)n[nH]c1C1CCN(Cc2cccnc2)CC1 ZINC000662326758 481728436 /nfs/dbraw/zinc/72/84/36/481728436.db2.gz BHNRBKAVKMRIJC-UHFFFAOYSA-N 1 3 325.460 2.651 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662326787 481728661 /nfs/dbraw/zinc/72/86/61/481728661.db2.gz CAAMEZPMWOCLFY-RLLQIKCJSA-N 1 3 330.472 2.630 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662326787 481728665 /nfs/dbraw/zinc/72/86/65/481728665.db2.gz CAAMEZPMWOCLFY-RLLQIKCJSA-N 1 3 330.472 2.630 20 0 EFADHO Cc1cccnc1CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327271 481729289 /nfs/dbraw/zinc/72/92/89/481729289.db2.gz LVNCFWIAGDMVSF-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1cccnc1CN1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327271 481729303 /nfs/dbraw/zinc/72/93/03/481729303.db2.gz LVNCFWIAGDMVSF-UHFFFAOYSA-N 1 3 339.487 2.960 20 0 EFADHO Cc1cc(CN2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)on1 ZINC000662327150 481730402 /nfs/dbraw/zinc/73/04/02/481730402.db2.gz KXJDPYFJJDABPK-UHFFFAOYSA-N 1 3 329.448 2.553 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335546 481734620 /nfs/dbraw/zinc/73/46/20/481734620.db2.gz NFSFRJRLOZRGKS-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335546 481734626 /nfs/dbraw/zinc/73/46/26/481734626.db2.gz NFSFRJRLOZRGKS-SFHVURJKSA-N 1 3 339.487 2.507 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[N@@H+]1C ZINC000648792134 481744896 /nfs/dbraw/zinc/74/48/96/481744896.db2.gz UULIULMYDFGVKA-HNBVOPMISA-N 1 3 343.515 2.838 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[N@H+]1C ZINC000648792134 481744898 /nfs/dbraw/zinc/74/48/98/481744898.db2.gz UULIULMYDFGVKA-HNBVOPMISA-N 1 3 343.515 2.838 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254479 481748984 /nfs/dbraw/zinc/74/89/84/481748984.db2.gz RGFDYSDEBNACLR-VHKYSDTDSA-N 1 3 342.462 2.784 20 0 EFADHO C[C@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CN1C1CC1 ZINC000665253574 481749534 /nfs/dbraw/zinc/74/95/34/481749534.db2.gz WCPPLWDCIZRQNA-WRUATKAJSA-N 1 3 335.442 2.625 20 0 EFADHO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3NCC3(C)C)c2)CC1 ZINC000644154583 481751389 /nfs/dbraw/zinc/75/13/89/481751389.db2.gz VETGBKNLSFHUDQ-SFHVURJKSA-N 1 3 329.488 2.898 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000648810016 481758593 /nfs/dbraw/zinc/75/85/93/481758593.db2.gz JUVPETQCHSYLQE-UHOSZYNNSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000648810016 481758603 /nfs/dbraw/zinc/75/86/03/481758603.db2.gz JUVPETQCHSYLQE-UHOSZYNNSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H](NCc1ccc(CO)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000647323069 481761254 /nfs/dbraw/zinc/76/12/54/481761254.db2.gz FRWNYKOIHFYIFS-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO COc1ccc([C@H](CN(C)C)NC(=O)Nc2cccc(C[NH3+])c2)cc1 ZINC000667733932 481770581 /nfs/dbraw/zinc/77/05/81/481770581.db2.gz OFBSCVZKKDYCDF-SFHVURJKSA-N 1 3 342.443 2.578 20 0 EFADHO CC(C)(C)n1nnc(CCN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000660120605 481771978 /nfs/dbraw/zinc/77/19/78/481771978.db2.gz DWOIPKUXWMPHHQ-UHFFFAOYSA-N 1 3 348.539 2.559 20 0 EFADHO C[C@H]1CN(CCN2CCC(CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000660121844 481772986 /nfs/dbraw/zinc/77/29/86/481772986.db2.gz PAQWXYIQAIPDKN-OALUTQOASA-N 1 3 337.552 2.684 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000665289656 481773568 /nfs/dbraw/zinc/77/35/68/481773568.db2.gz UFZRWCFTQGEGCB-YZYRWKSTSA-N 1 3 327.472 2.600 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000665290290 481774388 /nfs/dbraw/zinc/77/43/88/481774388.db2.gz SHICRXPZFMFEKG-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000665290290 481774397 /nfs/dbraw/zinc/77/43/97/481774397.db2.gz SHICRXPZFMFEKG-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662405809 481788776 /nfs/dbraw/zinc/78/87/76/481788776.db2.gz RWYWPYWKNDWTSX-UHFFFAOYSA-N 1 3 343.496 2.776 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCNC3)c1 ZINC000662405809 481788782 /nfs/dbraw/zinc/78/87/82/481788782.db2.gz RWYWPYWKNDWTSX-UHFFFAOYSA-N 1 3 343.496 2.776 20 0 EFADHO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1cccc2c1CNC2 ZINC000662409142 481790343 /nfs/dbraw/zinc/79/03/43/481790343.db2.gz DYATVJVFCPLFLA-UHFFFAOYSA-N 1 3 349.478 2.932 20 0 EFADHO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc2c1CNC2 ZINC000662422513 481798100 /nfs/dbraw/zinc/79/81/00/481798100.db2.gz JHADPTDDPZXFQH-UHFFFAOYSA-N 1 3 327.472 2.674 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc4c3CNC4)C2)CC1 ZINC000662427316 481800290 /nfs/dbraw/zinc/80/02/90/481800290.db2.gz FUMBKSXMNDMSDV-QGZVFWFLSA-N 1 3 341.499 2.874 20 0 EFADHO CC[C@H](NC)C(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000662429976 481800970 /nfs/dbraw/zinc/80/09/70/481800970.db2.gz MIRWGJSYFLCBSW-KRWDZBQOSA-N 1 3 330.476 2.920 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662441136 481807513 /nfs/dbraw/zinc/80/75/13/481807513.db2.gz JHUFWUJRPWWPPD-PKOBYXMFSA-N 1 3 327.472 2.698 20 0 EFADHO Cc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c(CN(C)C)c1 ZINC000662459884 481818747 /nfs/dbraw/zinc/81/87/47/481818747.db2.gz MZSRZCPAXAIQBH-UHFFFAOYSA-N 1 3 342.443 2.764 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654358105 481818796 /nfs/dbraw/zinc/81/87/96/481818796.db2.gz WKJWDXNNJRDJER-GBESFXJTSA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654358105 481818789 /nfs/dbraw/zinc/81/87/89/481818789.db2.gz WKJWDXNNJRDJER-GBESFXJTSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[N@@H+]1CCCC[C@H]1C ZINC000654373382 481829589 /nfs/dbraw/zinc/82/95/89/481829589.db2.gz AWYBJWGQHFGHKU-BRSBDYLESA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)N[C@@H]1CCCN2CCCC[C@H]12)[N@H+]1CCCC[C@H]1C ZINC000654373382 481829593 /nfs/dbraw/zinc/82/95/93/481829593.db2.gz AWYBJWGQHFGHKU-BRSBDYLESA-N 1 3 336.524 2.565 20 0 EFADHO CC[N@@H+]1CCC[C@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819899 481830380 /nfs/dbraw/zinc/83/03/80/481830380.db2.gz HPQGTONFJSUORL-PKOBYXMFSA-N 1 3 334.504 2.964 20 0 EFADHO CC[N@H+]1CCC[C@H](CN[C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667819899 481830386 /nfs/dbraw/zinc/83/03/86/481830386.db2.gz HPQGTONFJSUORL-PKOBYXMFSA-N 1 3 334.504 2.964 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667831369 481836841 /nfs/dbraw/zinc/83/68/41/481836841.db2.gz VDMWREGITMZEIV-YZGWKJHDSA-N 1 3 332.488 2.922 20 0 EFADHO CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662503858 481846576 /nfs/dbraw/zinc/84/65/76/481846576.db2.gz YPMZRNPCZUYGRU-GOSISDBHSA-N 1 3 335.451 2.636 20 0 EFADHO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662511947 481852454 /nfs/dbraw/zinc/85/24/54/481852454.db2.gz NALPLWZRRFNGHV-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc2c(s1)CCNC2 ZINC000662511947 481852460 /nfs/dbraw/zinc/85/24/60/481852460.db2.gz NALPLWZRRFNGHV-CQSZACIVSA-N 1 3 343.496 2.644 20 0 EFADHO C[C@H](NC(=O)c1cccc2c1CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662514602 481854008 /nfs/dbraw/zinc/85/40/08/481854008.db2.gz PLUYSPSEMJXBHB-QFBILLFUSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H](NC(=O)c1cccc2c1CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000662514602 481854016 /nfs/dbraw/zinc/85/40/16/481854016.db2.gz PLUYSPSEMJXBHB-QFBILLFUSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526879 481859774 /nfs/dbraw/zinc/85/97/74/481859774.db2.gz LPUBZDLOEULZRJ-INMHGKMJSA-N 1 3 327.472 2.767 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000654415144 481860158 /nfs/dbraw/zinc/86/01/58/481860158.db2.gz HWFDXFHFOMZZRE-QZTJIDSGSA-N 1 3 336.524 2.567 20 0 EFADHO CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654415143 481860454 /nfs/dbraw/zinc/86/04/54/481860454.db2.gz HWFDXFHFOMZZRE-MSOLQXFVSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000660284509 481875414 /nfs/dbraw/zinc/87/54/14/481875414.db2.gz XVCKFGFFCWETNM-OAHLLOKOSA-N 1 3 338.540 2.715 20 0 EFADHO C[C@@H](CN1CCC(C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000660284508 481875662 /nfs/dbraw/zinc/87/56/62/481875662.db2.gz XVCKFGFFCWETNM-HNNXBMFYSA-N 1 3 338.540 2.715 20 0 EFADHO CCCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCN(C)C1 ZINC000648995640 481876504 /nfs/dbraw/zinc/87/65/04/481876504.db2.gz BWZYVDFTMRMJKB-LJQANCHMSA-N 1 3 329.488 2.839 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C(C)(C)C ZINC000654446688 481876983 /nfs/dbraw/zinc/87/69/83/481876983.db2.gz RZEIAGBXLZUETL-IKGGRYGDSA-N 1 3 338.540 2.669 20 0 EFADHO CCCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000649000537 481880181 /nfs/dbraw/zinc/88/01/81/481880181.db2.gz XLRULBMPEKWGPY-IBGZPJMESA-N 1 3 338.455 2.803 20 0 EFADHO CCCN(C(=O)c1ccc(Nc2ccncc2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000649000537 481880188 /nfs/dbraw/zinc/88/01/88/481880188.db2.gz XLRULBMPEKWGPY-IBGZPJMESA-N 1 3 338.455 2.803 20 0 EFADHO C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@H](N)c1ccccc1 ZINC000662587578 481889128 /nfs/dbraw/zinc/88/91/28/481889128.db2.gz HXPYXBXWSFKXHL-KFKAGJAMSA-N 1 3 329.488 2.561 20 0 EFADHO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312370 481890717 /nfs/dbraw/zinc/89/07/17/481890717.db2.gz QEMJUYSSCLLFGB-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)C1 ZINC000660312370 481890723 /nfs/dbraw/zinc/89/07/23/481890723.db2.gz QEMJUYSSCLLFGB-RTBURBONSA-N 1 3 344.503 2.607 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000660321619 481895383 /nfs/dbraw/zinc/89/53/83/481895383.db2.gz HMOFWLLVMKYGRH-LJQANCHMSA-N 1 3 344.503 2.566 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000660359400 481915768 /nfs/dbraw/zinc/91/57/68/481915768.db2.gz QNSDJKSKGYMWFS-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC(C)N(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000649065142 481917097 /nfs/dbraw/zinc/91/70/97/481917097.db2.gz ODQYCXBMTAPXTA-FQEVSTJZSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000662661182 481921605 /nfs/dbraw/zinc/92/16/05/481921605.db2.gz MENQIEQFWVDRIZ-VQTJNVASSA-N 1 3 345.531 2.773 20 0 EFADHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662661180 481922132 /nfs/dbraw/zinc/92/21/32/481922132.db2.gz MBZYUJYXDLIHHI-LJQANCHMSA-N 1 3 349.478 2.679 20 0 EFADHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662661180 481922135 /nfs/dbraw/zinc/92/21/35/481922135.db2.gz MBZYUJYXDLIHHI-LJQANCHMSA-N 1 3 349.478 2.679 20 0 EFADHO COC[C@H](CC(C)(C)C)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000651733581 481925374 /nfs/dbraw/zinc/92/53/74/481925374.db2.gz MOWFOKQQBFVVMM-OKZBNKHCSA-N 1 3 326.525 2.795 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662669088 481926674 /nfs/dbraw/zinc/92/66/74/481926674.db2.gz UZNGUYAWGABEGE-QFBILLFUSA-N 1 3 327.472 2.744 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662669088 481926678 /nfs/dbraw/zinc/92/66/78/481926678.db2.gz UZNGUYAWGABEGE-QFBILLFUSA-N 1 3 327.472 2.744 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(NC2CC2)CCC1 ZINC000662676238 481929227 /nfs/dbraw/zinc/92/92/27/481929227.db2.gz TVLBQYZJRKMBRM-UHFFFAOYSA-N 1 3 329.488 2.818 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(NC2CC2)CCC1 ZINC000662676238 481929229 /nfs/dbraw/zinc/92/92/29/481929229.db2.gz TVLBQYZJRKMBRM-UHFFFAOYSA-N 1 3 329.488 2.818 20 0 EFADHO O=C([C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@H](N2CCCC2)C1 ZINC000668008109 481929892 /nfs/dbraw/zinc/92/98/92/481929892.db2.gz NANNRIPJEPELPJ-VQTJNVASSA-N 1 3 341.499 2.563 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)C[C@H]1NCc2ccccc21)C1CCCCC1 ZINC000662679992 481930018 /nfs/dbraw/zinc/93/00/18/481930018.db2.gz RDNXPVQIKJABIX-MOPGFXCFSA-N 1 3 329.488 2.848 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000665556038 481931986 /nfs/dbraw/zinc/93/19/86/481931986.db2.gz PSRXCQCHKDDSGM-DLBZAZTESA-N 1 3 336.524 2.519 20 0 EFADHO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1CN1CC[C@H](O)C1 ZINC000651758653 481935701 /nfs/dbraw/zinc/93/57/01/481935701.db2.gz JCRMUBSYMSLKKR-MOPGFXCFSA-N 1 3 334.504 2.794 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662694719 481936328 /nfs/dbraw/zinc/93/63/28/481936328.db2.gz BMRLTHLRNUNVQM-IYBDPMFKSA-N 1 3 343.515 2.819 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662694719 481936334 /nfs/dbraw/zinc/93/63/34/481936334.db2.gz BMRLTHLRNUNVQM-IYBDPMFKSA-N 1 3 343.515 2.819 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662694718 481936691 /nfs/dbraw/zinc/93/66/91/481936691.db2.gz BMRLTHLRNUNVQM-HZPDHXFCSA-N 1 3 343.515 2.819 20 0 EFADHO [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc21 ZINC000662699318 481939882 /nfs/dbraw/zinc/93/98/82/481939882.db2.gz ZTYRCYZVPDGSDI-RTBURBONSA-N 1 3 341.499 2.766 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662718891 481946824 /nfs/dbraw/zinc/94/68/24/481946824.db2.gz RYVMMZCIUCLQCG-BPQIPLTHSA-N 1 3 329.488 2.544 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729867 481951866 /nfs/dbraw/zinc/95/18/66/481951866.db2.gz OJFMGDKLZQZKNA-MRXNPFEDSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2CCNC3)C1 ZINC000662729867 481951869 /nfs/dbraw/zinc/95/18/69/481951869.db2.gz OJFMGDKLZQZKNA-MRXNPFEDSA-N 1 3 343.515 2.963 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000668063344 481958346 /nfs/dbraw/zinc/95/83/46/481958346.db2.gz KLJGJAUDKDRCLF-JENIJYKNSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000668063344 481958358 /nfs/dbraw/zinc/95/83/58/481958358.db2.gz KLJGJAUDKDRCLF-JENIJYKNSA-N 1 3 334.508 2.787 20 0 EFADHO CCn1nccc1[C@@H]1OCCC[C@H]1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000668063344 481958365 /nfs/dbraw/zinc/95/83/65/481958365.db2.gz KLJGJAUDKDRCLF-JENIJYKNSA-N 1 3 334.508 2.787 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000660449615 481965568 /nfs/dbraw/zinc/96/55/68/481965568.db2.gz LVGXLHOAZMIUJA-YTQUADARSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000660449615 481965571 /nfs/dbraw/zinc/96/55/71/481965571.db2.gz LVGXLHOAZMIUJA-YTQUADARSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000660449612 481965598 /nfs/dbraw/zinc/96/55/98/481965598.db2.gz LVGXLHOAZMIUJA-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)C1 ZINC000660449612 481965603 /nfs/dbraw/zinc/96/56/03/481965603.db2.gz LVGXLHOAZMIUJA-NEWSRXKRSA-N 1 3 344.503 2.605 20 0 EFADHO Cc1nc2ccccc2n1C1CC[NH+](C[C@@H](O)CN(C)C(C)C)CC1 ZINC000660452346 481968082 /nfs/dbraw/zinc/96/80/82/481968082.db2.gz TYBMFZPYAJNULZ-SFHVURJKSA-N 1 3 344.503 2.683 20 0 EFADHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C1(NC2CC2)CCC1 ZINC000662793036 481971213 /nfs/dbraw/zinc/97/12/13/481971213.db2.gz UNIHUNXRAXQTPS-UHFFFAOYSA-N 1 3 327.472 2.938 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000662794902 481972354 /nfs/dbraw/zinc/97/23/54/481972354.db2.gz RIXOVIRTQCVLAU-HNNXBMFYSA-N 1 3 329.366 2.537 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000668101226 481978007 /nfs/dbraw/zinc/97/80/07/481978007.db2.gz JVFBQAQWRZZZDY-FQEVSTJZSA-N 1 3 343.515 2.809 20 0 EFADHO CN(CCC1CCN(c2ccncc2)CC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662821065 481984047 /nfs/dbraw/zinc/98/40/47/481984047.db2.gz CDZOYLWTPXKLIQ-SFHVURJKSA-N 1 3 344.503 2.535 20 0 EFADHO C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@H](N)c1ccccc1 ZINC000662865084 481997805 /nfs/dbraw/zinc/99/78/05/481997805.db2.gz LVKDLQDAAHGAKQ-OBZTUIKSSA-N 1 3 337.467 2.584 20 0 EFADHO CCN(Cc1ccoc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000654695995 482000879 /nfs/dbraw/zinc/00/08/79/482000879.db2.gz VGDBVAIUZMANIP-UHFFFAOYSA-N 1 3 347.503 2.824 20 0 EFADHO C[C@H](CN1CCC(C)CC1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662887533 482004933 /nfs/dbraw/zinc/00/49/33/482004933.db2.gz ZIPCOHONLFAQPE-GOSISDBHSA-N 1 3 343.515 2.544 20 0 EFADHO Cc1cccc2[nH]c(CN(C)CCN(C)C3CC[NH+](C)CC3)cc21 ZINC000668158102 482005004 /nfs/dbraw/zinc/00/50/04/482005004.db2.gz HVJKLUJDDGJVDA-UHFFFAOYSA-N 1 3 328.504 2.934 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(COC)cs1 ZINC000668160308 482007545 /nfs/dbraw/zinc/00/75/45/482007545.db2.gz YQCJIUSYGYCPMZ-KRWDZBQOSA-N 1 3 339.549 2.742 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cc(COC)cs1 ZINC000668160308 482007548 /nfs/dbraw/zinc/00/75/48/482007548.db2.gz YQCJIUSYGYCPMZ-KRWDZBQOSA-N 1 3 339.549 2.742 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1cccc(OC)c1 ZINC000649282808 482010021 /nfs/dbraw/zinc/01/00/21/482010021.db2.gz IWDOASQWGAKZOP-KRWDZBQOSA-N 1 3 335.492 2.712 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000668169197 482012756 /nfs/dbraw/zinc/01/27/56/482012756.db2.gz KRZDEDIZSOUVTP-WSTZPKSXSA-N 1 3 346.519 2.552 20 0 EFADHO Cn1nccc1[C@@H]1OCCC[C@H]1C[N@H+]1CC[C@@H](C2CCN(C)CC2)C1 ZINC000668169197 482012759 /nfs/dbraw/zinc/01/27/59/482012759.db2.gz KRZDEDIZSOUVTP-WSTZPKSXSA-N 1 3 346.519 2.552 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CNCCC2(F)F)c1 ZINC000649295537 482018061 /nfs/dbraw/zinc/01/80/61/482018061.db2.gz WQBZXOQBRRIKRE-HNNXBMFYSA-N 1 3 325.403 2.712 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572509 482032749 /nfs/dbraw/zinc/03/27/49/482032749.db2.gz RVQYSFYKFFEDGR-QZTJIDSGSA-N 1 3 346.519 2.770 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)N(C)C)cc1 ZINC000660572509 482032756 /nfs/dbraw/zinc/03/27/56/482032756.db2.gz RVQYSFYKFFEDGR-QZTJIDSGSA-N 1 3 346.519 2.770 20 0 EFADHO CC1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660574973 482034647 /nfs/dbraw/zinc/03/46/47/482034647.db2.gz RHWTUECZJUDRJC-QNBRMCRTSA-N 1 3 348.535 2.518 20 0 EFADHO C[C@H](C(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21)N1[C@H](C)CC[C@@H]1C ZINC000665758010 482037635 /nfs/dbraw/zinc/03/76/35/482037635.db2.gz JJTMZTKIBVJUBC-TWMKSMIVSA-N 1 3 345.487 2.604 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000649371244 482045641 /nfs/dbraw/zinc/04/56/41/482045641.db2.gz YMXHMIWPBZRETC-GVDBMIGSSA-N 1 3 347.503 2.795 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413037 482066613 /nfs/dbraw/zinc/06/66/13/482066613.db2.gz IUSJQRYTDPYTMD-RTBURBONSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413037 482066614 /nfs/dbraw/zinc/06/66/14/482066614.db2.gz IUSJQRYTDPYTMD-RTBURBONSA-N 1 3 342.487 2.888 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](n3nc(C)cc3C)C2)cc1 ZINC000649413037 482066616 /nfs/dbraw/zinc/06/66/16/482066616.db2.gz IUSJQRYTDPYTMD-RTBURBONSA-N 1 3 342.487 2.888 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCN(C)C3)C2)c1C ZINC000660653616 482071800 /nfs/dbraw/zinc/07/18/00/482071800.db2.gz CHKDSPHONGAFDJ-PZJWPPBQSA-N 1 3 346.515 2.769 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CCN(C)C3)C2)c1C ZINC000660653616 482071803 /nfs/dbraw/zinc/07/18/03/482071803.db2.gz CHKDSPHONGAFDJ-PZJWPPBQSA-N 1 3 346.515 2.769 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NC(C(C)C)C(C)C)CC2)CC1 ZINC000654928136 482097287 /nfs/dbraw/zinc/09/72/87/482097287.db2.gz ZSTLKARUSDGNSM-UHFFFAOYSA-N 1 3 337.552 2.980 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000655010939 482130604 /nfs/dbraw/zinc/13/06/04/482130604.db2.gz UUQFWZJZSZGRAW-APWZRJJASA-N 1 3 333.520 2.584 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000655010940 482130931 /nfs/dbraw/zinc/13/09/31/482130931.db2.gz UUQFWZJZSZGRAW-LPHOPBHVSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)CC1 ZINC000668490986 482142943 /nfs/dbraw/zinc/14/29/43/482142943.db2.gz YRIJYVMFGWGKGV-APWZRJJASA-N 1 3 344.503 2.592 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)C3CCC3)CC2)CC1 ZINC000655048735 482144137 /nfs/dbraw/zinc/14/41/37/482144137.db2.gz HJZSEEWJLRTTFD-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000660785138 482144357 /nfs/dbraw/zinc/14/43/57/482144357.db2.gz KQDRPHJHQRGRGO-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000660785138 482144359 /nfs/dbraw/zinc/14/43/59/482144359.db2.gz KQDRPHJHQRGRGO-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)(CO)N1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663287444 482151867 /nfs/dbraw/zinc/15/18/67/482151867.db2.gz KKDZVVSPGOYRDD-UHFFFAOYSA-N 1 3 345.531 2.561 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@@H](C4CC4)C3)CC2)CC1 ZINC000655081758 482155487 /nfs/dbraw/zinc/15/54/87/482155487.db2.gz INDACXZEEYVACB-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660824040 482165464 /nfs/dbraw/zinc/16/54/64/482165464.db2.gz JMZSZZRYIQXJGY-IRXDYDNUSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660824040 482165468 /nfs/dbraw/zinc/16/54/68/482165468.db2.gz JMZSZZRYIQXJGY-IRXDYDNUSA-N 1 3 336.524 2.567 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666082544 482175512 /nfs/dbraw/zinc/17/55/12/482175512.db2.gz KBKVFNHXGBLVJF-KRWDZBQOSA-N 1 3 335.923 2.815 20 0 EFADHO COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c(C)c1 ZINC000666090374 482177616 /nfs/dbraw/zinc/17/76/16/482177616.db2.gz XPDSNLFXHDHYRQ-SJORKVTESA-N 1 3 331.504 2.823 20 0 EFADHO Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CCN(c3ccncc3)CC1)C2 ZINC000668588265 482179213 /nfs/dbraw/zinc/17/92/13/482179213.db2.gz WXTKBYZKUZCVCU-KRWDZBQOSA-N 1 3 327.403 2.783 20 0 EFADHO C[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2Cl)[C@H]1CCN ZINC000652353789 482187756 /nfs/dbraw/zinc/18/77/56/482187756.db2.gz CZHNDXUBLANCTO-YOEHRIQHSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@H]1CCN ZINC000652353789 482187761 /nfs/dbraw/zinc/18/77/61/482187761.db2.gz CZHNDXUBLANCTO-YOEHRIQHSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@H]1CCCN(CCC(=O)NCc2ccccc2Cl)[C@H]1CC[NH3+] ZINC000652353789 482187768 /nfs/dbraw/zinc/18/77/68/482187768.db2.gz CZHNDXUBLANCTO-YOEHRIQHSA-N 1 3 337.895 2.796 20 0 EFADHO C[C@H]1CCCN(CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CC[NH3+] ZINC000652354710 482189458 /nfs/dbraw/zinc/18/94/58/482189458.db2.gz FWYAZSRNQFVYKA-LRDDRELGSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CCN ZINC000652354710 482189462 /nfs/dbraw/zinc/18/94/62/482189462.db2.gz FWYAZSRNQFVYKA-LRDDRELGSA-N 1 3 325.403 2.743 20 0 EFADHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)[C@H]1CCN ZINC000652354710 482189466 /nfs/dbraw/zinc/18/94/66/482189466.db2.gz FWYAZSRNQFVYKA-LRDDRELGSA-N 1 3 325.403 2.743 20 0 EFADHO COc1c(C)cnc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1C ZINC000652362473 482195182 /nfs/dbraw/zinc/19/51/82/482195182.db2.gz IAWZWIRDBMZFRZ-CGTJXYLNSA-N 1 3 333.476 2.568 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2Cc2ccc(C(F)(F)F)cn2)C1 ZINC000652363586 482195799 /nfs/dbraw/zinc/19/57/99/482195799.db2.gz IWQBYCZJNHDQMT-FVQBIDKESA-N 1 3 343.393 2.961 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@H](CC)C2)N(C)C)cc1 ZINC000668657086 482202697 /nfs/dbraw/zinc/20/26/97/482202697.db2.gz CSMQQOSMLTVIGS-NEWSRXKRSA-N 1 3 346.519 2.621 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000668660900 482202952 /nfs/dbraw/zinc/20/29/52/482202952.db2.gz FNWKTRZGWMBFAG-MSOLQXFVSA-N 1 3 332.492 2.511 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])[C@H](CC)C2)N(C)C)cc1 ZINC000668657087 482203518 /nfs/dbraw/zinc/20/35/18/482203518.db2.gz CSMQQOSMLTVIGS-QRQLOZEOSA-N 1 3 346.519 2.621 20 0 EFADHO CCc1nc2ccccc2c(NCCC[NH+]2CCC(O)CC2)c1C ZINC000663402294 482211117 /nfs/dbraw/zinc/21/11/17/482211117.db2.gz HWAVJZXGJFWIQA-UHFFFAOYSA-N 1 3 327.472 2.786 20 0 EFADHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1c[nH]nc1C ZINC000666220260 482228609 /nfs/dbraw/zinc/22/86/09/482228609.db2.gz YIDRZNUSSOKWND-XFQXTVEOSA-N 1 3 342.487 2.906 20 0 EFADHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1c[nH]nc1C ZINC000666220260 482228615 /nfs/dbraw/zinc/22/86/15/482228615.db2.gz YIDRZNUSSOKWND-XFQXTVEOSA-N 1 3 342.487 2.906 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000663452450 482246461 /nfs/dbraw/zinc/24/64/61/482246461.db2.gz YLTFXVLMHFHEBJ-GJZGRUSLSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000649780683 482246677 /nfs/dbraw/zinc/24/66/77/482246677.db2.gz GFGNDTLXNPUNFT-HYVNUMGLSA-N 1 3 332.492 2.932 20 0 EFADHO C[C@@H](CCNC(=O)NC[C@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000663452452 482247371 /nfs/dbraw/zinc/24/73/71/482247371.db2.gz YLTFXVLMHFHEBJ-LSDHHAIUSA-N 1 3 338.521 2.524 20 0 EFADHO C[C@H](CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1)[NH+](C)C ZINC000663452449 482247422 /nfs/dbraw/zinc/24/74/22/482247422.db2.gz YLTFXVLMHFHEBJ-CABCVRRESA-N 1 3 338.521 2.524 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655349638 482276463 /nfs/dbraw/zinc/27/64/63/482276463.db2.gz LMSMJAMTVKHVBN-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655349638 482276468 /nfs/dbraw/zinc/27/64/68/482276468.db2.gz LMSMJAMTVKHVBN-XUVXKRRUSA-N 1 3 341.499 2.642 20 0 EFADHO O[C@@H](C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1)CN1CCCC1 ZINC000649875179 482307824 /nfs/dbraw/zinc/30/78/24/482307824.db2.gz ATKCKPARSFPWDU-YOEHRIQHSA-N 1 3 326.843 2.977 20 0 EFADHO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCCNCC1 ZINC000652612861 482317203 /nfs/dbraw/zinc/31/72/03/482317203.db2.gz DIPQHVISXWKCKF-UHFFFAOYSA-N 1 3 348.516 2.702 20 0 EFADHO CCCc1ccc(C[NH2+]CC2(N3CCOCC3)CCN(C)CC2)cc1 ZINC000666407237 482318228 /nfs/dbraw/zinc/31/82/28/482318228.db2.gz JDFAHEZMVHIWOS-UHFFFAOYSA-N 1 3 345.531 2.525 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000666413787 482321857 /nfs/dbraw/zinc/32/18/57/482321857.db2.gz BCISOGABMGEHLJ-PZJWPPBQSA-N 1 3 340.467 2.935 20 0 EFADHO CN(CCN1CCCCC1)C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000649986846 482354294 /nfs/dbraw/zinc/35/42/94/482354294.db2.gz RWGYFXRRPSABLD-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CCN1C ZINC000669129436 482385157 /nfs/dbraw/zinc/38/51/57/482385157.db2.gz ZZNLHWYHRAHEGC-RLLQIKCJSA-N 1 3 343.515 2.807 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)N2CCCC2)cc1 ZINC000663869695 482413453 /nfs/dbraw/zinc/41/34/53/482413453.db2.gz AZKIULNIPNTHBT-IEBWSBKVSA-N 1 3 346.519 2.771 20 0 EFADHO CN(C)CC[C@H](N)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000650225465 482422374 /nfs/dbraw/zinc/42/23/74/482422374.db2.gz NMFNIIFOSIQYJL-KRWDZBQOSA-N 1 3 343.475 2.674 20 0 EFADHO C[C@@H]1C[C@H](C[NH3+])CN1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000131727556 533842247 /nfs/dbraw/zinc/84/22/47/533842247.db2.gz UWGKXKFQTKUZNX-GHMZBOCLSA-N 1 3 330.259 2.991 20 0 EFADHO C[C@H](NCCN1CCC([NH+](C)C)CC1)c1ccc2ccccc2n1 ZINC000178290373 533857488 /nfs/dbraw/zinc/85/74/88/533857488.db2.gz FCZGLBLDICEGJU-INIZCTEOSA-N 1 3 326.488 2.911 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000186747316 534391840 /nfs/dbraw/zinc/39/18/40/534391840.db2.gz PUELQUVDWCUGLE-HUUCEWRRSA-N 1 3 343.393 2.782 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000186747316 534391850 /nfs/dbraw/zinc/39/18/50/534391850.db2.gz PUELQUVDWCUGLE-HUUCEWRRSA-N 1 3 343.393 2.782 20 0 EFADHO CC(C)(CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])N1CCc2ccccc2C1 ZINC000263039959 519257621 /nfs/dbraw/zinc/25/76/21/519257621.db2.gz STIXEJCWSRXWSJ-RXVVDRJESA-N 1 3 343.515 2.847 20 0 EFADHO CC(C)[NH+](CCNC(=O)NCc1ccc(CN(C)C)cc1)C(C)C ZINC000078435037 519647390 /nfs/dbraw/zinc/64/73/90/519647390.db2.gz MBCJTFLHYAIFHN-UHFFFAOYSA-N 1 3 334.508 2.666 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)CC1 ZINC000172717374 519668181 /nfs/dbraw/zinc/66/81/81/519668181.db2.gz IFHSJCBVWRPRSH-UHFFFAOYSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)COC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000245954980 519758243 /nfs/dbraw/zinc/75/82/43/519758243.db2.gz BVIVWAVOMBLJHI-UYAOXDASSA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)COC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245954980 519758244 /nfs/dbraw/zinc/75/82/44/519758244.db2.gz BVIVWAVOMBLJHI-UYAOXDASSA-N 1 3 340.552 2.996 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000151997826 519839315 /nfs/dbraw/zinc/83/93/15/519839315.db2.gz UINALOBJKSBUAG-BEFAXECRSA-N 1 3 331.504 2.952 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000151997906 519840219 /nfs/dbraw/zinc/84/02/19/519840219.db2.gz UINALOBJKSBUAG-HNAYVOBHSA-N 1 3 331.504 2.952 20 0 EFADHO CC[NH2+]CC1CCN(Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000261917218 519915003 /nfs/dbraw/zinc/91/50/03/519915003.db2.gz JXTGCHIWZOBPIA-UHFFFAOYSA-N 1 3 327.476 2.706 20 0 EFADHO CC[N@@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)CC1CC1 ZINC000070011759 520309691 /nfs/dbraw/zinc/30/96/91/520309691.db2.gz HMBZWBFBSAJBMV-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC[N@H+](CC(=O)N1CCCN(Cc2ccccc2C)CC1)CC1CC1 ZINC000070011759 520309702 /nfs/dbraw/zinc/30/97/02/520309702.db2.gz HMBZWBFBSAJBMV-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000071932991 521009980 /nfs/dbraw/zinc/00/99/80/521009980.db2.gz DVYKOGLDTZKCCA-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000071932991 521009988 /nfs/dbraw/zinc/00/99/88/521009988.db2.gz DVYKOGLDTZKCCA-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000071932993 521011622 /nfs/dbraw/zinc/01/16/22/521011622.db2.gz SWMLDWCAGNQZIJ-SFHVURJKSA-N 1 3 338.540 2.530 20 0 EFADHO CC1CCN(CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000071932993 521011633 /nfs/dbraw/zinc/01/16/33/521011633.db2.gz SWMLDWCAGNQZIJ-SFHVURJKSA-N 1 3 338.540 2.530 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C1CC1 ZINC000153403594 521300003 /nfs/dbraw/zinc/30/00/03/521300003.db2.gz XGRKFHCTELRWMO-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C1CC1 ZINC000153403594 521300011 /nfs/dbraw/zinc/30/00/11/521300011.db2.gz XGRKFHCTELRWMO-IBGZPJMESA-N 1 3 329.488 2.837 20 0 EFADHO CCC(CC)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000193247119 521598436 /nfs/dbraw/zinc/59/84/36/521598436.db2.gz NIHFYWONZIUWCK-INIZCTEOSA-N 1 3 331.504 2.934 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154245584 521681749 /nfs/dbraw/zinc/68/17/49/521681749.db2.gz KRDXDXOSBXHWEP-IBGZPJMESA-N 1 3 331.504 2.826 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCCOC)CC1 ZINC000178133417 521689013 /nfs/dbraw/zinc/68/90/13/521689013.db2.gz VJBVOFPFYQAHAV-SFHVURJKSA-N 1 3 333.520 2.729 20 0 EFADHO CC[N@@H+]1CC[C@@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@H](C)C1 ZINC000156972411 521715648 /nfs/dbraw/zinc/71/56/48/521715648.db2.gz QLXDSHXVBFZVJX-VQIMIIECSA-N 1 3 345.531 2.958 20 0 EFADHO CC[N@H+]1CC[C@@H](Nc2cccc3c2CCN(CC(C)(C)O)C3)[C@H](C)C1 ZINC000156972411 521715649 /nfs/dbraw/zinc/71/56/49/521715649.db2.gz QLXDSHXVBFZVJX-VQIMIIECSA-N 1 3 345.531 2.958 20 0 EFADHO CCS[C@H]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076067809 521732925 /nfs/dbraw/zinc/73/29/25/521732925.db2.gz UDEUOMCQBNEWID-IRXDYDNUSA-N 1 3 341.565 2.581 20 0 EFADHO CN(C)Cc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000237052540 521905923 /nfs/dbraw/zinc/90/59/23/521905923.db2.gz ZZSAJEGBIBLDLW-UHFFFAOYSA-N 1 3 329.410 2.865 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000155505209 521917530 /nfs/dbraw/zinc/91/75/30/521917530.db2.gz MGTBFDBPDRFHCC-FQEVSTJZSA-N 1 3 339.483 2.651 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000155505145 521917767 /nfs/dbraw/zinc/91/77/67/521917767.db2.gz MGTBFDBPDRFHCC-HXUWFJFHSA-N 1 3 339.483 2.651 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000079451569 521920590 /nfs/dbraw/zinc/92/05/90/521920590.db2.gz SIPIYMZQRHXRIT-IBGZPJMESA-N 1 3 344.503 2.518 20 0 EFADHO NC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000178670295 534656064 /nfs/dbraw/zinc/65/60/64/534656064.db2.gz NWXULCWADSWUST-HXUWFJFHSA-N 1 3 337.467 2.641 20 0 EFADHO CC[C@H](C)CN(CC)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178621637 523874545 /nfs/dbraw/zinc/87/45/45/523874545.db2.gz RLDBTQGOZRMHOK-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181316078 523919060 /nfs/dbraw/zinc/91/90/60/523919060.db2.gz BNQMURRNVDZWRF-IRXDYDNUSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000181316078 523919067 /nfs/dbraw/zinc/91/90/67/523919067.db2.gz BNQMURRNVDZWRF-IRXDYDNUSA-N 1 3 334.508 2.536 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC000263073706 524048947 /nfs/dbraw/zinc/04/89/47/524048947.db2.gz WUVOXWHCPFGMSM-WSTZPKSXSA-N 1 3 331.504 2.876 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000056600949 524050932 /nfs/dbraw/zinc/05/09/32/524050932.db2.gz VBRZNEAKLZDTDP-UHFFFAOYSA-N 1 3 332.492 2.944 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@H]1C ZINC000194734226 524198467 /nfs/dbraw/zinc/19/84/67/524198467.db2.gz IJXUDEJUCKKBMY-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@H](C)CC[C@H]1C ZINC000194734226 524198475 /nfs/dbraw/zinc/19/84/75/524198475.db2.gz IJXUDEJUCKKBMY-XSYGEPLQSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000194734214 524199870 /nfs/dbraw/zinc/19/98/70/524199870.db2.gz IJXUDEJUCKKBMY-JPLJXNOCSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1[C@@H](C)CC[C@@H]1C ZINC000194734214 524199876 /nfs/dbraw/zinc/19/98/76/524199876.db2.gz IJXUDEJUCKKBMY-JPLJXNOCSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1cccc(C)c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000178059824 524247339 /nfs/dbraw/zinc/24/73/39/524247339.db2.gz YZPZNKICEBAOAF-UHFFFAOYSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000245634530 524296146 /nfs/dbraw/zinc/29/61/46/524296146.db2.gz BNTGLPOCCKKFLX-NEWSRXKRSA-N 1 3 346.519 2.679 20 0 EFADHO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000152205413 524425978 /nfs/dbraw/zinc/42/59/78/524425978.db2.gz FHJINMDAFVEOLL-VQIMIIECSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CN1C1CC1 ZINC000177733440 524797177 /nfs/dbraw/zinc/79/71/77/524797177.db2.gz QMHHKHQQYMKQEC-MAUKXSAKSA-N 1 3 348.535 2.565 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000192759401 524955237 /nfs/dbraw/zinc/95/52/37/524955237.db2.gz ARFGMZKXJVSBBB-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO C[C@@H]1CN(CCN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCO1 ZINC000192759401 524955252 /nfs/dbraw/zinc/95/52/52/524955252.db2.gz ARFGMZKXJVSBBB-RBUKOAKNSA-N 1 3 337.552 2.684 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263299938 525136228 /nfs/dbraw/zinc/13/62/28/525136228.db2.gz WYBWKNIYKLWKDU-PZJWPPBQSA-N 1 3 343.515 2.983 20 0 EFADHO C[C@]1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000237792129 525192337 /nfs/dbraw/zinc/19/23/37/525192337.db2.gz GYJSGQHWAZSUBJ-NRFANRHFSA-N 1 3 343.515 2.543 20 0 EFADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000153906361 525284837 /nfs/dbraw/zinc/28/48/37/525284837.db2.gz POHKSFFUTBOXLV-CMKODMSKSA-N 1 3 345.531 2.959 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000263262280 525285650 /nfs/dbraw/zinc/28/56/50/525285650.db2.gz RDOYSHNTONNUCC-BJLQDIEVSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000263262286 525286121 /nfs/dbraw/zinc/28/61/21/525286121.db2.gz RDOYSHNTONNUCC-HBFSDRIKSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H](NCCOCC[NH+](C)C)c1cc(Br)ccc1F ZINC000219314668 525356538 /nfs/dbraw/zinc/35/65/38/525356538.db2.gz NNLAOXPIPOCCOA-NSHDSACASA-N 1 3 333.245 2.817 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CN1Cc1ccccc1 ZINC000263018390 525430887 /nfs/dbraw/zinc/43/08/87/525430887.db2.gz QPHNLDOIWNFINO-QEEHTWDDSA-N 1 3 329.488 2.673 20 0 EFADHO C[C@@H](NCCOCC[NH+](C)C)c1ccc(Br)cc1F ZINC000219314906 525452692 /nfs/dbraw/zinc/45/26/92/525452692.db2.gz ZCGWJCRAJQMSRK-LLVKDONJSA-N 1 3 333.245 2.817 20 0 EFADHO CSCC[C@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000237303223 525578695 /nfs/dbraw/zinc/57/86/95/525578695.db2.gz XFVIAEVNIMYQHR-RDJZCZTQSA-N 1 3 341.565 2.570 20 0 EFADHO CSCC[C@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000237303223 525578700 /nfs/dbraw/zinc/57/87/00/525578700.db2.gz XFVIAEVNIMYQHR-RDJZCZTQSA-N 1 3 341.565 2.570 20 0 EFADHO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000263267158 525864443 /nfs/dbraw/zinc/86/44/43/525864443.db2.gz RRLIUNVGOBMPNF-PKOBYXMFSA-N 1 3 349.544 2.984 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2CCCN2C)CC1 ZINC000116537815 526092376 /nfs/dbraw/zinc/09/23/76/526092376.db2.gz MISVDZGFWBPQPP-QFBILLFUSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000262992841 526098182 /nfs/dbraw/zinc/09/81/82/526098182.db2.gz NZVANFFUMFGKGE-HGKSCXNLSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000262992849 526098528 /nfs/dbraw/zinc/09/85/28/526098528.db2.gz NZVANFFUMFGKGE-QEEHTWDDSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000262992846 526098923 /nfs/dbraw/zinc/09/89/23/526098923.db2.gz NZVANFFUMFGKGE-MJKGWSOKSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074503292 526146000 /nfs/dbraw/zinc/14/60/00/526146000.db2.gz HGMGMMVMKWGJMW-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000090028845 526305089 /nfs/dbraw/zinc/30/50/89/526305089.db2.gz FISRGELCYPDNOQ-DFQSSKMNSA-N 1 3 341.499 2.790 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(Cc2ccccc2)CC1 ZINC000177736752 526373147 /nfs/dbraw/zinc/37/31/47/526373147.db2.gz XEGFIOBAECNLDO-CTXDPNEZSA-N 1 3 341.499 2.688 20 0 EFADHO CC(=O)Nc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173963275 527051084 /nfs/dbraw/zinc/05/10/84/527051084.db2.gz NBKWACYOAOUEMT-UHFFFAOYSA-N 1 3 345.487 2.722 20 0 EFADHO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000363374156 527437859 /nfs/dbraw/zinc/43/78/59/527437859.db2.gz NWOMZGSFMFANMD-QGZVFWFLSA-N 1 3 330.476 2.608 20 0 EFADHO O=C(Nc1ccccn1)[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000363374156 527437866 /nfs/dbraw/zinc/43/78/66/527437866.db2.gz NWOMZGSFMFANMD-QGZVFWFLSA-N 1 3 330.476 2.608 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCCCN3)c2)CC1 ZINC000166419336 528257039 /nfs/dbraw/zinc/25/70/39/528257039.db2.gz ASJFFJRYIRYWRA-LJQANCHMSA-N 1 3 329.488 2.677 20 0 EFADHO CCCC[C@@H](COC)[NH2+]Cc1ccc(CN2CCC(O)CC2)cc1 ZINC000132720154 528832437 /nfs/dbraw/zinc/83/24/37/528832437.db2.gz DRMNVPAHRLSAIO-IBGZPJMESA-N 1 3 334.504 2.938 20 0 EFADHO CC(C)N1CCN(CCC[N@H+](C)CCCOc2ccccc2)CC1 ZINC000191400221 529040240 /nfs/dbraw/zinc/04/02/40/529040240.db2.gz ZRMKWQDXSMGDTI-UHFFFAOYSA-N 1 3 333.520 2.803 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+](C)CCCOc2ccccc2)CC1 ZINC000191400221 529040243 /nfs/dbraw/zinc/04/02/43/529040243.db2.gz ZRMKWQDXSMGDTI-UHFFFAOYSA-N 1 3 333.520 2.803 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000191540530 529042415 /nfs/dbraw/zinc/04/24/15/529042415.db2.gz PDEKNQUGZKQWSR-IBGZPJMESA-N 1 3 344.547 2.743 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000191540530 529042419 /nfs/dbraw/zinc/04/24/19/529042419.db2.gz PDEKNQUGZKQWSR-IBGZPJMESA-N 1 3 344.547 2.743 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000435391381 534934227 /nfs/dbraw/zinc/93/42/27/534934227.db2.gz SFUWTJYZGPHNPU-IBGZPJMESA-N 1 3 344.547 2.650 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000414660559 534934428 /nfs/dbraw/zinc/93/44/28/534934428.db2.gz OOMKNPDVMQPUMD-MOPGFXCFSA-N 1 3 344.547 2.778 20 0 EFADHO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1=O ZINC000421885827 534979060 /nfs/dbraw/zinc/97/90/60/534979060.db2.gz ROPNPRCYVMZZGP-IAGOWNOFSA-N 1 3 347.503 2.536 20 0 EFADHO CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000343918721 534984925 /nfs/dbraw/zinc/98/49/25/534984925.db2.gz FHERIBGANZGMDU-RXVVDRJESA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000343918721 534984934 /nfs/dbraw/zinc/98/49/34/534984934.db2.gz FHERIBGANZGMDU-RXVVDRJESA-N 1 3 345.531 2.932 20 0 EFADHO CC(C)Oc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)N(C)C)cc1 ZINC000360289301 535020252 /nfs/dbraw/zinc/02/02/52/535020252.db2.gz AXFYYDFWKBNBJA-MOPGFXCFSA-N 1 3 349.519 2.779 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000417224707 535031165 /nfs/dbraw/zinc/03/11/65/535031165.db2.gz VUSCXXPFTBAYMU-JQHSSLGASA-N 1 3 332.492 2.639 20 0 EFADHO CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000193217236 535037008 /nfs/dbraw/zinc/03/70/08/535037008.db2.gz WHNAXEDGHKPRKU-LJQANCHMSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000193217236 535037010 /nfs/dbraw/zinc/03/70/10/535037010.db2.gz WHNAXEDGHKPRKU-LJQANCHMSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N[C@@H](C)CN1CCC[C@H](C)C1)C(C)C ZINC000347718443 535054549 /nfs/dbraw/zinc/05/45/49/535054549.db2.gz KTGBBACDQJLKFQ-ROUUACIJSA-N 1 3 340.556 2.915 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000236767877 535056353 /nfs/dbraw/zinc/05/63/53/535056353.db2.gz MLAUFIVPFORQQT-BXWFABGCSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@H](N)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000236764016 535056393 /nfs/dbraw/zinc/05/63/93/535056393.db2.gz SQPIIFJUNBOLLY-MDZRGWNJSA-N 1 3 331.504 2.764 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418495622 535060631 /nfs/dbraw/zinc/06/06/31/535060631.db2.gz BNZAWEBYAGKQTH-RTBURBONSA-N 1 3 342.487 2.854 20 0 EFADHO CC1(CNC(=O)N[C@@H](CN)c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000418499686 535137771 /nfs/dbraw/zinc/13/77/71/535137771.db2.gz MGIAKAOESRLSJF-SFHVURJKSA-N 1 3 340.471 2.529 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)CC1 ZINC000360213636 535149530 /nfs/dbraw/zinc/14/95/30/535149530.db2.gz QHDVVRRMXWKOML-SFHVURJKSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414746556 535166896 /nfs/dbraw/zinc/16/68/96/535166896.db2.gz RBVURAZLWSLVFI-HNAYVOBHSA-N 1 3 335.467 2.652 20 0 EFADHO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414746556 535166901 /nfs/dbraw/zinc/16/69/01/535166901.db2.gz RBVURAZLWSLVFI-HNAYVOBHSA-N 1 3 335.467 2.652 20 0 EFADHO CC(CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140309 535175275 /nfs/dbraw/zinc/17/52/75/535175275.db2.gz GMQJVRYTJOEFNJ-MUGJNUQGSA-N 1 3 340.552 2.588 20 0 EFADHO CC(CN(C)C[C@@H]1CCCC[C@@H]1O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351140309 535175280 /nfs/dbraw/zinc/17/52/80/535175280.db2.gz GMQJVRYTJOEFNJ-MUGJNUQGSA-N 1 3 340.552 2.588 20 0 EFADHO CC(C)CO[C@@H]1C[C@@H](NCc2ccncc2OCC[NH+](C)C)C1(C)C ZINC000344114390 535203970 /nfs/dbraw/zinc/20/39/70/535203970.db2.gz VRSNTTZWSZJMHV-RTBURBONSA-N 1 3 349.519 2.951 20 0 EFADHO CCCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417223807 535222286 /nfs/dbraw/zinc/22/22/86/535222286.db2.gz SZYSOOUADKXGJW-QXAKKESOSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)[C@H]1C[C@H](NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000342412992 535264366 /nfs/dbraw/zinc/26/43/66/535264366.db2.gz DVUZFUUIADAOFI-QZTJIDSGSA-N 1 3 335.492 2.705 20 0 EFADHO CC(C)C[C@@H](C[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418423283 535275942 /nfs/dbraw/zinc/27/59/42/535275942.db2.gz FFOSAYRELOECQV-SFHVURJKSA-N 1 3 346.519 2.666 20 0 EFADHO CCCN(CC[NH+]1CCCC1)C(=O)NCCN(C)Cc1ccccc1 ZINC000351826660 535331564 /nfs/dbraw/zinc/33/15/64/535331564.db2.gz IDPMLYVFPFYYMY-UHFFFAOYSA-N 1 3 346.519 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000349089875 535361516 /nfs/dbraw/zinc/36/15/16/535361516.db2.gz TYOHLWPBTAVPMF-LJQANCHMSA-N 1 3 329.488 2.773 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1(C)C ZINC000344010346 535410186 /nfs/dbraw/zinc/41/01/86/535410186.db2.gz HQSXXLQMWHAGPH-WOJBJXKFSA-N 1 3 345.531 2.727 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)N(CC)CC ZINC000345987725 535416924 /nfs/dbraw/zinc/41/69/24/535416924.db2.gz UEYQEAAYXURVSU-ROUUACIJSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)Nc1ccnn1C1CC[NH+](CC)CC1)N(CC)CC ZINC000359811371 535434995 /nfs/dbraw/zinc/43/49/95/535434995.db2.gz RWWMPGFYPUWJFH-INIZCTEOSA-N 1 3 335.496 2.599 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355759543 535481031 /nfs/dbraw/zinc/48/10/31/535481031.db2.gz BIUCBXMYSVALNZ-QGZVFWFLSA-N 1 3 326.529 2.621 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000349968752 535505753 /nfs/dbraw/zinc/50/57/53/535505753.db2.gz VMZJSDFCZLUOOK-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000266034080 535552524 /nfs/dbraw/zinc/55/25/24/535552524.db2.gz ZTGQVDICHNMBRE-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000266034084 535552633 /nfs/dbraw/zinc/55/26/33/535552633.db2.gz ZTGQVDICHNMBRE-SFHVURJKSA-N 1 3 347.503 2.573 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCNC(C)(C)C1 ZINC000414797583 535558928 /nfs/dbraw/zinc/55/89/28/535558928.db2.gz YNHNYEDVGZDHTQ-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000351941418 535582767 /nfs/dbraw/zinc/58/27/67/535582767.db2.gz QWFOWXGNFYDBEB-GUDVDZBRSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000351941418 535582773 /nfs/dbraw/zinc/58/27/73/535582773.db2.gz QWFOWXGNFYDBEB-GUDVDZBRSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000351941418 535582777 /nfs/dbraw/zinc/58/27/77/535582777.db2.gz QWFOWXGNFYDBEB-GUDVDZBRSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000351941417 535583345 /nfs/dbraw/zinc/58/33/45/535583345.db2.gz QWFOWXGNFYDBEB-GBESFXJTSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000351941417 535583352 /nfs/dbraw/zinc/58/33/52/535583352.db2.gz QWFOWXGNFYDBEB-GBESFXJTSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000351941417 535583356 /nfs/dbraw/zinc/58/33/56/535583356.db2.gz QWFOWXGNFYDBEB-GBESFXJTSA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(C[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000351941416 535583560 /nfs/dbraw/zinc/58/35/60/535583560.db2.gz QWFOWXGNFYDBEB-CEXWTWQISA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000351941416 535583564 /nfs/dbraw/zinc/58/35/64/535583564.db2.gz QWFOWXGNFYDBEB-CEXWTWQISA-N 1 3 342.483 2.830 20 0 EFADHO CCOC(=O)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000351941416 535583569 /nfs/dbraw/zinc/58/35/69/535583569.db2.gz QWFOWXGNFYDBEB-CEXWTWQISA-N 1 3 342.483 2.830 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000359164886 535588398 /nfs/dbraw/zinc/58/83/98/535588398.db2.gz GNOWXWIIDLVPJI-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(F)cccc1F ZINC000349037217 535594081 /nfs/dbraw/zinc/59/40/81/535594081.db2.gz RFEXPXNPZJGWPT-HNNXBMFYSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c(F)cccc1F ZINC000349037217 535594086 /nfs/dbraw/zinc/59/40/86/535594086.db2.gz RFEXPXNPZJGWPT-HNNXBMFYSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C2CC2)n1 ZINC000349062450 535594110 /nfs/dbraw/zinc/59/41/10/535594110.db2.gz LYIPTXDBXJAPMV-KRWDZBQOSA-N 1 3 336.549 2.868 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1csc(C2CC2)n1 ZINC000349062450 535594114 /nfs/dbraw/zinc/59/41/14/535594114.db2.gz LYIPTXDBXJAPMV-KRWDZBQOSA-N 1 3 336.549 2.868 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000349061708 535594318 /nfs/dbraw/zinc/59/43/18/535594318.db2.gz JNLMLNHJOMCTPO-INIZCTEOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000349061708 535594321 /nfs/dbraw/zinc/59/43/21/535594321.db2.gz JNLMLNHJOMCTPO-INIZCTEOSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1C(C)(C)C ZINC000349065154 535595335 /nfs/dbraw/zinc/59/53/35/535595335.db2.gz XWVWJHXRBRCWGE-KRWDZBQOSA-N 1 3 335.540 2.555 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1c[nH]nc1C(C)(C)C ZINC000349065154 535595338 /nfs/dbraw/zinc/59/53/38/535595338.db2.gz XWVWJHXRBRCWGE-KRWDZBQOSA-N 1 3 335.540 2.555 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000266022615 535599883 /nfs/dbraw/zinc/59/98/83/535599883.db2.gz XHNVLNBTLDAMJF-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCCN(C)[C@@H]2C)c1 ZINC000343630854 535608092 /nfs/dbraw/zinc/60/80/92/535608092.db2.gz QTXAMBJAQAPBPW-VQIMIIECSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCCN(C)[C@H]2C)c1 ZINC000343630852 535608253 /nfs/dbraw/zinc/60/82/53/535608253.db2.gz QTXAMBJAQAPBPW-LPHOPBHVSA-N 1 3 346.519 2.810 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000359372137 535660114 /nfs/dbraw/zinc/66/01/14/535660114.db2.gz FNINFZKLQOGWQS-MJGOQNOKSA-N 1 3 344.503 2.605 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCCN(C)[C@@H]1C)CC(C)C ZINC000343883572 535673464 /nfs/dbraw/zinc/67/34/64/535673464.db2.gz YWAXZOYZPUPAHN-IKGGRYGDSA-N 1 3 326.529 2.525 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000360045597 535694267 /nfs/dbraw/zinc/69/42/67/535694267.db2.gz LPMNGAOPIBZFTH-QGZVFWFLSA-N 1 3 331.504 2.785 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000434358605 535719776 /nfs/dbraw/zinc/71/97/76/535719776.db2.gz RCDUXYFKAFMBDH-GOSISDBHSA-N 1 3 336.524 2.521 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000342622901 535871705 /nfs/dbraw/zinc/87/17/05/535871705.db2.gz FVWPHHJIZFJROA-PMACEKPBSA-N 1 3 345.531 2.848 20 0 EFADHO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000360572449 535877262 /nfs/dbraw/zinc/87/72/62/535877262.db2.gz KLQRCJUNFGCRRS-DLBZAZTESA-N 1 3 330.476 2.611 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000359315240 535889193 /nfs/dbraw/zinc/88/91/93/535889193.db2.gz QTXKMBRAVWMKEW-RBUKOAKNSA-N 1 3 329.488 2.646 20 0 EFADHO CN(C)CCOc1cnccc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000343975106 535918810 /nfs/dbraw/zinc/91/88/10/535918810.db2.gz GLGQTYKXISAULI-UHFFFAOYSA-N 1 3 347.503 2.851 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418591257 535952032 /nfs/dbraw/zinc/95/20/32/535952032.db2.gz ULMQWHPCARZHQW-JYJNAYRXSA-N 1 3 338.883 2.512 20 0 EFADHO CN(C[C@@H]1CCCN1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000421703499 535975770 /nfs/dbraw/zinc/97/57/70/535975770.db2.gz MNUUELFTVLSQHZ-AWEZNQCLSA-N 1 3 329.444 2.661 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000421703502 535975957 /nfs/dbraw/zinc/97/59/57/535975957.db2.gz MNUUELFTVLSQHZ-CQSZACIVSA-N 1 3 329.444 2.661 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000418652624 535978028 /nfs/dbraw/zinc/97/80/28/535978028.db2.gz MYTNJTJJGKSTNN-IBGZPJMESA-N 1 3 344.503 2.519 20 0 EFADHO CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418593776 536053657 /nfs/dbraw/zinc/05/36/57/536053657.db2.gz VXHRVNYCENLLEV-MSOLQXFVSA-N 1 3 344.503 2.562 20 0 EFADHO CN(C)c1ncc(C[NH2+]CC2CCN(Cc3cccs3)CC2)n1C ZINC000414317778 536161250 /nfs/dbraw/zinc/16/12/50/536161250.db2.gz KRLGUYIFJMVKJX-UHFFFAOYSA-N 1 3 347.532 2.549 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccco1 ZINC000359333139 536173499 /nfs/dbraw/zinc/17/34/99/536173499.db2.gz SDYRCMMHLYTCKI-XHSDSOJGSA-N 1 3 338.496 2.737 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccco1 ZINC000359333139 536173507 /nfs/dbraw/zinc/17/35/07/536173507.db2.gz SDYRCMMHLYTCKI-XHSDSOJGSA-N 1 3 338.496 2.737 20 0 EFADHO CN1CCC2(CCCN2C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418460928 536347509 /nfs/dbraw/zinc/34/75/09/536347509.db2.gz KUIDNXGWCHDXJK-UHFFFAOYSA-N 1 3 336.524 2.569 20 0 EFADHO CN(CCN1CCCC1)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500974 536370390 /nfs/dbraw/zinc/37/03/90/536370390.db2.gz QDLHEGZUPIEWDV-LJQANCHMSA-N 1 3 340.471 2.577 20 0 EFADHO CN(CCN1CCCC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418500973 536370537 /nfs/dbraw/zinc/37/05/37/536370537.db2.gz QDLHEGZUPIEWDV-IBGZPJMESA-N 1 3 340.471 2.577 20 0 EFADHO C[NH2+]C[C@@H]1CCCN1C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417677537 536455497 /nfs/dbraw/zinc/45/54/97/536455497.db2.gz FXZXIRLSGORSGM-LPHOPBHVSA-N 1 3 344.503 2.605 20 0 EFADHO CO[C@H](CC(C)C)C[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419197133 536536679 /nfs/dbraw/zinc/53/66/79/536536679.db2.gz XPTPRYGGAFDBNT-ZHALLVOQSA-N 1 3 326.525 2.869 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344632334 536588711 /nfs/dbraw/zinc/58/87/11/536588711.db2.gz QNPIMLMKZWGUHO-GXTWGEPZSA-N 1 3 346.427 2.800 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344632334 536588712 /nfs/dbraw/zinc/58/87/12/536588712.db2.gz QNPIMLMKZWGUHO-GXTWGEPZSA-N 1 3 346.427 2.800 20 0 EFADHO COCCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000348868895 536616930 /nfs/dbraw/zinc/61/69/30/536616930.db2.gz LNRSYBYADNIVFC-JWTNVVGKSA-N 1 3 348.487 2.777 20 0 EFADHO COCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000348868895 536616933 /nfs/dbraw/zinc/61/69/33/536616933.db2.gz LNRSYBYADNIVFC-JWTNVVGKSA-N 1 3 348.487 2.777 20 0 EFADHO [NH3+]CCCN(Cc1cccc(Br)c1)C1CCOCC1 ZINC000414745571 546192614 /nfs/dbraw/zinc/19/26/14/546192614.db2.gz PJQBPRMORFKATO-UHFFFAOYSA-N 1 3 327.266 2.779 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000279979622 545649676 /nfs/dbraw/zinc/64/96/76/545649676.db2.gz DKZVKUFMBWJSGQ-DOTOQJQBSA-N 1 3 336.476 2.638 20 0 EFADHO CN1CCN(CC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1(C)C ZINC000282361946 545667652 /nfs/dbraw/zinc/66/76/52/545667652.db2.gz PTRMSJVACSTKMA-MRXNPFEDSA-N 1 3 337.508 2.978 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc[nH]1 ZINC000286165998 545684530 /nfs/dbraw/zinc/68/45/30/545684530.db2.gz PNGKSEOKNTWHFV-INIZCTEOSA-N 1 3 328.460 2.778 20 0 EFADHO O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc2c1CC[NH2+]C2 ZINC000311261678 545808066 /nfs/dbraw/zinc/80/80/66/545808066.db2.gz GLKLIOSXZCJBQI-IBGZPJMESA-N 1 3 349.478 2.727 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H]1C ZINC000333244252 545871681 /nfs/dbraw/zinc/87/16/81/545871681.db2.gz BMKATSFKTFWLGK-PBHICJAKSA-N 1 3 346.475 2.505 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CNCCO3)C[C@H]1C ZINC000333244252 545871686 /nfs/dbraw/zinc/87/16/86/545871686.db2.gz BMKATSFKTFWLGK-PBHICJAKSA-N 1 3 346.475 2.505 20 0 EFADHO C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000339070301 545922345 /nfs/dbraw/zinc/92/23/45/545922345.db2.gz LQXYRFSRSRMKOO-ROUUACIJSA-N 1 3 337.577 2.955 20 0 EFADHO C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000339070301 545922348 /nfs/dbraw/zinc/92/23/48/545922348.db2.gz LQXYRFSRSRMKOO-ROUUACIJSA-N 1 3 337.577 2.955 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000339254218 545926004 /nfs/dbraw/zinc/92/60/04/545926004.db2.gz OCXVVMWQWNEABZ-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000339254218 545926008 /nfs/dbraw/zinc/92/60/08/545926008.db2.gz OCXVVMWQWNEABZ-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@H]1C[C@H](NC2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000343541070 545957981 /nfs/dbraw/zinc/95/79/81/545957981.db2.gz XITPZFJPJZXJPB-KXBFYZLASA-N 1 3 329.488 2.767 20 0 EFADHO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)CCN2CC[C@@](CO)(CCC)C2)C1 ZINC000344150964 545962694 /nfs/dbraw/zinc/96/26/94/545962694.db2.gz GMFIIFBHRWOXRK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CC[N@H+]([C@H](C)CCN2CC[C@@](CO)(CCC)C2)C1 ZINC000344150964 545962701 /nfs/dbraw/zinc/96/27/01/545962701.db2.gz GMFIIFBHRWOXRK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CCN([C@H](C)CC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150964 545962704 /nfs/dbraw/zinc/96/27/04/545962704.db2.gz GMFIIFBHRWOXRK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@@]1(CO)CCN([C@H](C)CC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150964 545962708 /nfs/dbraw/zinc/96/27/08/545962708.db2.gz GMFIIFBHRWOXRK-HSALFYBXSA-N 1 3 340.552 2.734 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000352089742 546046583 /nfs/dbraw/zinc/04/65/83/546046583.db2.gz PUGYRXDEMZHEIG-XYJFISCASA-N 1 3 334.508 2.707 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)CN1Cc1ccccc1 ZINC000397979909 546170328 /nfs/dbraw/zinc/17/03/28/546170328.db2.gz LZQMUNOGUWQGJX-QFBILLFUSA-N 1 3 349.478 2.725 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000414335658 546189053 /nfs/dbraw/zinc/18/90/53/546189053.db2.gz HLGHWUVGBYZETK-VQTJNVASSA-N 1 3 341.499 2.662 20 0 EFADHO NC(=O)C1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000414335659 546189584 /nfs/dbraw/zinc/18/95/84/546189584.db2.gz HLGHWUVGBYZETK-WOJBJXKFSA-N 1 3 341.499 2.662 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000416837554 546204510 /nfs/dbraw/zinc/20/45/10/546204510.db2.gz HYUQVTUKBXALNG-RCCFBDPRSA-N 1 3 332.492 2.639 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000416970317 546205482 /nfs/dbraw/zinc/20/54/82/546205482.db2.gz DXBGMSJPNSNTJE-HKUYNNGSSA-N 1 3 344.503 2.529 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccsc1 ZINC000417005586 546206534 /nfs/dbraw/zinc/20/65/34/546206534.db2.gz JBCQNEUULMPQGG-OWCLPIDISA-N 1 3 338.521 2.700 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000417282317 546208419 /nfs/dbraw/zinc/20/84/19/546208419.db2.gz AEKBXWLBNITLTB-BEFAXECRSA-N 1 3 342.487 2.869 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417689967 546211046 /nfs/dbraw/zinc/21/10/46/546211046.db2.gz KOLVXTPENRMIFJ-HHXXYDBFSA-N 1 3 344.503 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000417850522 546211577 /nfs/dbraw/zinc/21/15/77/546211577.db2.gz XTLIWGVTUKUKDH-NXWXRZEISA-N 1 3 344.503 2.609 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418034801 546212698 /nfs/dbraw/zinc/21/26/98/546212698.db2.gz OTYHXZHLTHVBBE-OTWHNJEPSA-N 1 3 346.519 2.712 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc(Br)cn1 ZINC000515466400 546298228 /nfs/dbraw/zinc/29/82/28/546298228.db2.gz WARINDGLIJTIFT-TZMCWYRMSA-N 1 3 344.297 2.852 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444889 546450375 /nfs/dbraw/zinc/45/03/75/546450375.db2.gz WDKIZUKBWNPWNX-QKNQBKEWSA-N 1 3 341.499 2.720 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)N2CCCC2)cc1 ZINC000655446314 546450403 /nfs/dbraw/zinc/45/04/03/546450403.db2.gz NQSOUUCUJRGOLG-SVFBPWRDSA-N 1 3 341.499 2.638 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccsc1 ZINC000655444823 546450459 /nfs/dbraw/zinc/45/04/59/546450459.db2.gz QYTRWUZSCQCTBX-LZLYRXPVSA-N 1 3 335.517 2.637 20 0 EFADHO CN(C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(F)c1 ZINC000655680400 546530812 /nfs/dbraw/zinc/53/08/12/546530812.db2.gz MFZJZWHJVQARBD-PMACEKPBSA-N 1 3 349.494 2.661 20 0 EFADHO CCC(CC)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)N(C)C ZINC000655687210 546532473 /nfs/dbraw/zinc/53/24/73/546532473.db2.gz MONHWPWQLKBNLO-OALUTQOASA-N 1 3 325.541 2.586 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)CC(C)C ZINC000655687380 546532871 /nfs/dbraw/zinc/53/28/71/546532871.db2.gz MXAOUVBEELMEKT-RTBURBONSA-N 1 3 325.541 2.586 20 0 EFADHO CC(C)[C@@H](C[NH2+]C1CCN([C@@H]2CCOC2)CC1)N1CCCCCC1 ZINC000655687208 546532929 /nfs/dbraw/zinc/53/29/29/546532929.db2.gz MMJXBSQAXRFHTN-WOJBJXKFSA-N 1 3 337.552 2.730 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655691446 546536448 /nfs/dbraw/zinc/53/64/48/546536448.db2.gz BAMKXAYJUZYWOD-VQTJNVASSA-N 1 3 337.552 2.730 20 0 EFADHO c1coc([C@@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)N2CCCCC2)c1 ZINC000655693316 546537020 /nfs/dbraw/zinc/53/70/20/546537020.db2.gz XETUTXUHBQMSRZ-RTBURBONSA-N 1 3 347.503 2.650 20 0 EFADHO c1coc([C@H](CNC2CC[NH+]([C@@H]3CCOC3)CC2)N2CCCCC2)c1 ZINC000655693312 546537354 /nfs/dbraw/zinc/53/73/54/546537354.db2.gz XETUTXUHBQMSRZ-MOPGFXCFSA-N 1 3 347.503 2.650 20 0 EFADHO CN(CCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)Cc1ccccc1 ZINC000655698325 546539020 /nfs/dbraw/zinc/53/90/20/546539020.db2.gz UONAKNQYAACMRO-NRFANRHFSA-N 1 3 345.531 2.742 20 0 EFADHO CCN(CC)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000655702828 546541163 /nfs/dbraw/zinc/54/11/63/546541163.db2.gz BGHPXORVOHJIPN-RBUKOAKNSA-N 1 3 349.519 2.896 20 0 EFADHO CCN(CC)[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000655702828 546541165 /nfs/dbraw/zinc/54/11/65/546541165.db2.gz BGHPXORVOHJIPN-RBUKOAKNSA-N 1 3 349.519 2.896 20 0 EFADHO CCN(CC)[C@H](CNC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccco1 ZINC000655703980 546541255 /nfs/dbraw/zinc/54/12/55/546541255.db2.gz XPVNPZLWMKTRPR-QZTJIDSGSA-N 1 3 335.492 2.505 20 0 EFADHO CCN(CC)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccco1 ZINC000655702826 546541622 /nfs/dbraw/zinc/54/16/22/546541622.db2.gz BGHPXORVOHJIPN-MOPGFXCFSA-N 1 3 349.519 2.896 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccco1 ZINC000655702826 546541624 /nfs/dbraw/zinc/54/16/24/546541624.db2.gz BGHPXORVOHJIPN-MOPGFXCFSA-N 1 3 349.519 2.896 20 0 EFADHO C(C1CCCC1)N1CCC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655703456 546542003 /nfs/dbraw/zinc/54/20/03/546542003.db2.gz GTXTTXFUSOCEMH-NRFANRHFSA-N 1 3 349.563 2.874 20 0 EFADHO C([NH2+]C1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN1CC1CCCCC1 ZINC000655710651 546544946 /nfs/dbraw/zinc/54/49/46/546544946.db2.gz CTQCRFZKSUCUDF-LEWJYISDSA-N 1 3 349.563 2.874 20 0 EFADHO C1C[C@@H](N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)CO1 ZINC000655719665 546548970 /nfs/dbraw/zinc/54/89/70/546548970.db2.gz UTOVSWSEVUJZLC-HXUWFJFHSA-N 1 3 335.536 2.626 20 0 EFADHO CCO[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655761671 546570306 /nfs/dbraw/zinc/57/03/06/546570306.db2.gz NHGIIDOKUUABLQ-UXHICEINSA-N 1 3 332.488 2.997 20 0 EFADHO Cc1nn(-c2ccccc2Cl)cc1CNCCOCC[NH+](C)C ZINC000655759251 546570406 /nfs/dbraw/zinc/57/04/06/546570406.db2.gz LDIOFGQAQXVYKU-UHFFFAOYSA-N 1 3 336.867 2.502 20 0 EFADHO C([NH2+]C1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN1C1CCCCC1 ZINC000655762139 546570761 /nfs/dbraw/zinc/57/07/61/546570761.db2.gz AZIDHSVPFRJWGK-PMACEKPBSA-N 1 3 335.536 2.626 20 0 EFADHO CN(C)C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000655768437 546574144 /nfs/dbraw/zinc/57/41/44/546574144.db2.gz DAUKFSROGZJUKQ-UXHICEINSA-N 1 3 349.494 2.661 20 0 EFADHO Cc1cnc(CC[NH2+]Cc2ccc(OCCN(C)C)cc2)c(C)c1 ZINC000655830367 546603358 /nfs/dbraw/zinc/60/33/58/546603358.db2.gz UTAPSWYPHLXKQS-UHFFFAOYSA-N 1 3 327.472 2.971 20 0 EFADHO CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000655908026 546632780 /nfs/dbraw/zinc/63/27/80/546632780.db2.gz QYHXXEIGHCZYQT-QZTJIDSGSA-N 1 3 330.476 2.935 20 0 EFADHO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CNCCO3)CC1 ZINC000655909385 546633615 /nfs/dbraw/zinc/63/36/15/546633615.db2.gz ITNYYTDDJRIQJV-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCc3noc4ccccc43)CC2)C1 ZINC000655940349 546649162 /nfs/dbraw/zinc/64/91/62/546649162.db2.gz RYLJRFMIAICJGI-BEFAXECRSA-N 1 3 329.444 2.589 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCc2noc3ccccc32)CC1 ZINC000655940464 546649541 /nfs/dbraw/zinc/64/95/41/546649541.db2.gz SOJRKJKKHXVQKK-VQIMIIECSA-N 1 3 329.444 2.589 20 0 EFADHO [NH3+]CCCN(CC1CCCC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000655974845 546657077 /nfs/dbraw/zinc/65/70/77/546657077.db2.gz RGRSYSJIYJIIDN-MSOLQXFVSA-N 1 3 336.524 2.554 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@H](N)C3)CC2)cs1 ZINC000656197412 546718790 /nfs/dbraw/zinc/71/87/90/546718790.db2.gz HTPKWYMQQDXJFM-HOTGVXAUSA-N 1 3 336.549 2.777 20 0 EFADHO COc1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1OC ZINC000656787063 546923998 /nfs/dbraw/zinc/92/39/98/546923998.db2.gz ZSIPKZUZMKQEBP-QGZVFWFLSA-N 1 3 348.487 2.924 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000657303520 547097582 /nfs/dbraw/zinc/09/75/82/547097582.db2.gz BFQACHKVSVBZDX-QFBILLFUSA-N 1 3 334.508 2.598 20 0 EFADHO CC(C)C[NH+]1CCC(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1 ZINC000657303520 547097587 /nfs/dbraw/zinc/09/75/87/547097587.db2.gz BFQACHKVSVBZDX-QFBILLFUSA-N 1 3 334.508 2.598 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cc4ccncc4s3)CC2)CC1 ZINC000657338324 547118040 /nfs/dbraw/zinc/11/80/40/547118040.db2.gz VNRHDCSNZWYCDL-UHFFFAOYSA-N 1 3 344.528 2.945 20 0 EFADHO c1csc(C[N@H+]2CCC[C@@H](CNCc3cnc4n3CCC4)C2)c1 ZINC000657338050 547118143 /nfs/dbraw/zinc/11/81/43/547118143.db2.gz HLLLAXJZMKJOFO-HNNXBMFYSA-N 1 3 330.501 2.893 20 0 EFADHO c1csc(C[N@@H+]2CCC[C@@H](CNCc3cnc4n3CCC4)C2)c1 ZINC000657338050 547118148 /nfs/dbraw/zinc/11/81/48/547118148.db2.gz HLLLAXJZMKJOFO-HNNXBMFYSA-N 1 3 330.501 2.893 20 0 EFADHO c1csc(CN2CCC[C@@H](C[NH2+]Cc3cnc4n3CCC4)C2)c1 ZINC000657338050 547118153 /nfs/dbraw/zinc/11/81/53/547118153.db2.gz HLLLAXJZMKJOFO-HNNXBMFYSA-N 1 3 330.501 2.893 20 0 EFADHO COCc1csc(CNC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000657383636 547138270 /nfs/dbraw/zinc/13/82/70/547138270.db2.gz LCVHHVIDYMXKJK-UHFFFAOYSA-N 1 3 326.506 2.874 20 0 EFADHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(C)c1 ZINC000657457775 547170605 /nfs/dbraw/zinc/17/06/05/547170605.db2.gz CPWLJFUUCUYKEV-UHFFFAOYSA-N 1 3 333.520 2.899 20 0 EFADHO CC(C)n1cncc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612925 547228573 /nfs/dbraw/zinc/22/85/73/547228573.db2.gz FPAGFVZUBQGGNF-UHFFFAOYSA-N 1 3 327.476 2.861 20 0 EFADHO c1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)n(CC2CC2)n1 ZINC000657613259 547229387 /nfs/dbraw/zinc/22/93/87/547229387.db2.gz JUBBIQDRIRFAAY-UHFFFAOYSA-N 1 3 339.487 2.690 20 0 EFADHO CCCn1nccc1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657614758 547229645 /nfs/dbraw/zinc/22/96/45/547229645.db2.gz ILTPHQJNHZHGFJ-UHFFFAOYSA-N 1 3 327.476 2.690 20 0 EFADHO FC(F)(F)Oc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750165 547270598 /nfs/dbraw/zinc/27/05/98/547270598.db2.gz BYHOIADJVNXKMD-OAHLLOKOSA-N 1 3 344.377 2.928 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657802446 547288813 /nfs/dbraw/zinc/28/88/13/547288813.db2.gz YKZMVTMJKHHRHV-UAFMIMERSA-N 1 3 341.499 2.944 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657802446 547288817 /nfs/dbraw/zinc/28/88/17/547288817.db2.gz YKZMVTMJKHHRHV-UAFMIMERSA-N 1 3 341.499 2.944 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657835071 547297343 /nfs/dbraw/zinc/29/73/43/547297343.db2.gz KIGZACQZACHTRP-AWEZNQCLSA-N 1 3 326.435 2.697 20 0 EFADHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(C(F)F)nc1 ZINC000657832842 547297401 /nfs/dbraw/zinc/29/74/01/547297401.db2.gz NDMXZCMEFRRNPG-ZDUSSCGKSA-N 1 3 326.435 2.696 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000657838126 547298923 /nfs/dbraw/zinc/29/89/23/547298923.db2.gz YZZRGPAXCIXEND-IAGOWNOFSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000657838126 547298927 /nfs/dbraw/zinc/29/89/27/547298927.db2.gz YZZRGPAXCIXEND-IAGOWNOFSA-N 1 3 327.476 2.688 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000657837202 547299157 /nfs/dbraw/zinc/29/91/57/547299157.db2.gz RKFOKMHREHBRLQ-IAGOWNOFSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000657837202 547299158 /nfs/dbraw/zinc/29/91/58/547299158.db2.gz RKFOKMHREHBRLQ-IAGOWNOFSA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657840694 547300183 /nfs/dbraw/zinc/30/01/83/547300183.db2.gz VDZCJHZNCAHCNL-KSZLIROESA-N 1 3 341.503 2.934 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657840694 547300188 /nfs/dbraw/zinc/30/01/88/547300188.db2.gz VDZCJHZNCAHCNL-KSZLIROESA-N 1 3 341.503 2.934 20 0 EFADHO C[C@@H](NCCN1CCC([NH+](C)C)CC1)c1ccc(C(F)F)nc1 ZINC000657897527 547312309 /nfs/dbraw/zinc/31/23/09/547312309.db2.gz HHBZIGGTGYMABD-CYBMUJFWSA-N 1 3 326.435 2.696 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2ccncc2s1 ZINC000658001919 547333044 /nfs/dbraw/zinc/33/30/44/547333044.db2.gz IKGQNXDQBHCSMI-CQSZACIVSA-N 1 3 332.517 2.973 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@@](C)(COCc2ccccc2)OC)[C@@H](C)C1 ZINC000658133349 547366923 /nfs/dbraw/zinc/36/69/23/547366923.db2.gz PXBCOFJHPGKDAM-IHPCNDPISA-N 1 3 334.504 2.928 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@@](C)(COCc2ccccc2)OC)[C@@H](C)C1 ZINC000658133349 547366929 /nfs/dbraw/zinc/36/69/29/547366929.db2.gz PXBCOFJHPGKDAM-IHPCNDPISA-N 1 3 334.504 2.928 20 0 EFADHO c1cn2c(n1)[C@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CCC2 ZINC000658162241 547377034 /nfs/dbraw/zinc/37/70/34/547377034.db2.gz CYLJREFDWIKNQE-GOSISDBHSA-N 1 3 325.460 2.615 20 0 EFADHO CN1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@@H]2CCC[C@H]21 ZINC000658164568 547377829 /nfs/dbraw/zinc/37/78/29/547377829.db2.gz NVLLZJFLRCRLGP-PCCBWWKXSA-N 1 3 342.531 2.756 20 0 EFADHO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658166192 547378430 /nfs/dbraw/zinc/37/84/30/547378430.db2.gz MYDHSAXPTVKPFY-OAHLLOKOSA-N 1 3 327.476 2.686 20 0 EFADHO CCCN1CCC([NH2+]CC2CCN(Cc3ccncc3)CC2)CC1 ZINC000658168786 547378502 /nfs/dbraw/zinc/37/85/02/547378502.db2.gz YSTRFRLIJLJEFO-UHFFFAOYSA-N 1 3 330.520 2.758 20 0 EFADHO CCn1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)cn1 ZINC000658165441 547378632 /nfs/dbraw/zinc/37/86/32/547378632.db2.gz JRIPHXQDXUGHOF-INIZCTEOSA-N 1 3 327.476 2.861 20 0 EFADHO CC[C@@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1cnn(C)c1 ZINC000658167537 547378963 /nfs/dbraw/zinc/37/89/63/547378963.db2.gz SNRWIPJKALHIPM-LJQANCHMSA-N 1 3 327.476 2.768 20 0 EFADHO Cn1ncc2c1CCC[C@H]2[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168566 547379061 /nfs/dbraw/zinc/37/90/61/547379061.db2.gz XPWKGRTWWBGLES-LJQANCHMSA-N 1 3 339.487 2.694 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000672516695 547762527 /nfs/dbraw/zinc/76/25/27/547762527.db2.gz ZBQOHSGSZWQDDE-IRXDYDNUSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000672516695 547762531 /nfs/dbraw/zinc/76/25/31/547762531.db2.gz ZBQOHSGSZWQDDE-IRXDYDNUSA-N 1 3 347.503 2.620 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000672614712 547773722 /nfs/dbraw/zinc/77/37/22/547773722.db2.gz BLPGUKBZVAJUAB-RRFJBIMHSA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000672614712 547773726 /nfs/dbraw/zinc/77/37/26/547773726.db2.gz BLPGUKBZVAJUAB-RRFJBIMHSA-N 1 3 347.425 2.536 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673779769 547957561 /nfs/dbraw/zinc/95/75/61/547957561.db2.gz NOAOKVGSHXZBBN-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000673779769 547957564 /nfs/dbraw/zinc/95/75/64/547957564.db2.gz NOAOKVGSHXZBBN-LJQANCHMSA-N 1 3 346.519 2.634 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc(OCCN(C)C)c1 ZINC000675159224 548214602 /nfs/dbraw/zinc/21/46/02/548214602.db2.gz CVVMHHKHTMRPTA-INIZCTEOSA-N 1 3 348.491 2.623 20 0 EFADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000675196101 548227041 /nfs/dbraw/zinc/22/70/41/548227041.db2.gz ZHBPULWAEUGJQE-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO C([C@H]1CCCO1)N1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000675882645 548367506 /nfs/dbraw/zinc/36/75/06/548367506.db2.gz TXKRIXLMXHUILH-HXUWFJFHSA-N 1 3 335.536 2.626 20 0 EFADHO C[NH+](C)CCOc1ccc(CN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000676355588 548459529 /nfs/dbraw/zinc/45/95/29/548459529.db2.gz YTYWWRHRSQVHQR-OAQYLSRUSA-N 1 3 340.467 2.551 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000676542935 548495664 /nfs/dbraw/zinc/49/56/64/548495664.db2.gz VQQZYHHEJRWARX-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000676542935 548495669 /nfs/dbraw/zinc/49/56/69/548495669.db2.gz VQQZYHHEJRWARX-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000676541378 548496275 /nfs/dbraw/zinc/49/62/75/548496275.db2.gz CTTBILRSOKVERS-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000676541378 548496277 /nfs/dbraw/zinc/49/62/77/548496277.db2.gz CTTBILRSOKVERS-LMMKCTJWSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(Cc2nccc3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000678285762 548890900 /nfs/dbraw/zinc/89/09/00/548890900.db2.gz BUWMHAOMNZDLFQ-DYESRHJHSA-N 1 3 338.499 2.693 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000678927835 549019020 /nfs/dbraw/zinc/01/90/20/549019020.db2.gz LMOLCCVLFXJWKH-XLIONFOSSA-N 1 3 331.479 2.961 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+][C@@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000678927837 549019177 /nfs/dbraw/zinc/01/91/77/549019177.db2.gz LMOLCCVLFXJWKH-YLJYHZDGSA-N 1 3 331.479 2.961 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@H]3CCCc4ccc(F)cc43)C2)CC1 ZINC000678927834 549019239 /nfs/dbraw/zinc/01/92/39/549019239.db2.gz LMOLCCVLFXJWKH-PXNSSMCTSA-N 1 3 331.479 2.961 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679626337 549161207 /nfs/dbraw/zinc/16/12/07/549161207.db2.gz UFAAQWGXWPYCIB-DFQSSKMNSA-N 1 3 332.488 2.540 20 0 EFADHO C[C@H](NCCOC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679626337 549161212 /nfs/dbraw/zinc/16/12/12/549161212.db2.gz UFAAQWGXWPYCIB-DFQSSKMNSA-N 1 3 332.488 2.540 20 0 EFADHO Cc1[nH+]c2ccccc2c(N2CCN([C@H]3CCC[C@@H]3O)CC2)c1C ZINC000680052589 549242769 /nfs/dbraw/zinc/24/27/69/549242769.db2.gz FPYOVJFRZFKRSP-OALUTQOASA-N 1 3 325.456 2.887 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000681008983 549440746 /nfs/dbraw/zinc/44/07/46/549440746.db2.gz NINNHBMXAZBFFV-WOJBJXKFSA-N 1 3 332.488 2.922 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000681389648 549525156 /nfs/dbraw/zinc/52/51/56/549525156.db2.gz RCWFUWKHVPKSGU-IOMROCGXSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000681399517 549526849 /nfs/dbraw/zinc/52/68/49/549526849.db2.gz WOYBNDYMDMXQFO-KUHUBIRLSA-N 1 3 330.451 2.969 20 0 EFADHO C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000681399516 549527091 /nfs/dbraw/zinc/52/70/91/549527091.db2.gz WOYBNDYMDMXQFO-IFXJQAMLSA-N 1 3 330.451 2.969 20 0 EFADHO C[C@@H]1[C@@H](C)N(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000681491180 549547870 /nfs/dbraw/zinc/54/78/70/549547870.db2.gz DTXKFOQVMCMJOE-QZTJIDSGSA-N 1 3 331.504 2.686 20 0 EFADHO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccccc1CCN(C)C ZINC000682107120 549698737 /nfs/dbraw/zinc/69/87/37/549698737.db2.gz LLCNTJXUMPDVPU-KRWDZBQOSA-N 1 3 332.492 2.787 20 0 EFADHO FC(F)(F)c1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000682704071 549792380 /nfs/dbraw/zinc/79/23/80/549792380.db2.gz OMKZQYQBLIPGNJ-UHFFFAOYSA-N 1 3 341.421 2.823 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000683765280 549943043 /nfs/dbraw/zinc/94/30/43/549943043.db2.gz JDDYFZVLZKPMNC-UHFFFAOYSA-N 1 3 334.489 2.520 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3ccc4cnccc4c3)CC2)CC1 ZINC000683767219 549943083 /nfs/dbraw/zinc/94/30/83/549943083.db2.gz FALMAQILSHMSMM-UHFFFAOYSA-N 1 3 338.499 2.883 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC000684110748 549993084 /nfs/dbraw/zinc/99/30/84/549993084.db2.gz AFLKVFJGNOBLIW-IBGZPJMESA-N 1 3 333.520 2.837 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684826201 550100401 /nfs/dbraw/zinc/10/04/01/550100401.db2.gz VMKPVJYFLQSLQL-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684826201 550100402 /nfs/dbraw/zinc/10/04/02/550100402.db2.gz VMKPVJYFLQSLQL-PMACEKPBSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684826206 550100652 /nfs/dbraw/zinc/10/06/52/550100652.db2.gz VMKPVJYFLQSLQL-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]1CN(C)CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684826206 550100653 /nfs/dbraw/zinc/10/06/53/550100653.db2.gz VMKPVJYFLQSLQL-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000684826203 550100726 /nfs/dbraw/zinc/10/07/26/550100726.db2.gz VMKPVJYFLQSLQL-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@H]1CN(C)CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000684826203 550100727 /nfs/dbraw/zinc/10/07/27/550100727.db2.gz VMKPVJYFLQSLQL-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000684846734 550103582 /nfs/dbraw/zinc/10/35/82/550103582.db2.gz RRKKBRQLPIKHIH-UHFFFAOYSA-N 1 3 341.455 2.853 20 0 EFADHO CCc1[nH+]c2ccccc2c(N2CCN(CCO)C(C)(C)C2)c1C ZINC000684892271 550109251 /nfs/dbraw/zinc/10/92/51/550109251.db2.gz DQEQZHFXCIRMCQ-UHFFFAOYSA-N 1 3 327.472 2.999 20 0 EFADHO CN(C[C@@H]1CCOc2ccccc21)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457229 550154154 /nfs/dbraw/zinc/15/41/54/550154154.db2.gz MIVJZGIXYLOSJA-PKOBYXMFSA-N 1 3 343.515 2.653 20 0 EFADHO CN(C[C@@H]1CCOc2ccccc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457229 550154157 /nfs/dbraw/zinc/15/41/57/550154157.db2.gz MIVJZGIXYLOSJA-PKOBYXMFSA-N 1 3 343.515 2.653 20 0 EFADHO CN(Cc1ccc2cnccc2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457680 550154630 /nfs/dbraw/zinc/15/46/30/550154630.db2.gz JLDLCSVMJVZXPL-OAQYLSRUSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1ccc2cnccc2c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457680 550154631 /nfs/dbraw/zinc/15/46/31/550154631.db2.gz JLDLCSVMJVZXPL-OAQYLSRUSA-N 1 3 338.499 2.835 20 0 EFADHO Cc1nc(C)c(CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000685566381 550165317 /nfs/dbraw/zinc/16/53/17/550165317.db2.gz NYOUDVDQHARCKO-UHFFFAOYSA-N 1 3 348.535 2.920 20 0 EFADHO Cc1ccc2sc(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2c1 ZINC000685759556 550180579 /nfs/dbraw/zinc/18/05/79/550180579.db2.gz ZZEKMKIFVJPSCN-UHFFFAOYSA-N 1 3 333.501 2.775 20 0 EFADHO Cc1cnn([C@@H]2CCN(Cc3ccc(OCC[NH+](C)C)cc3)C2)c1 ZINC000685852551 550188229 /nfs/dbraw/zinc/18/82/29/550188229.db2.gz OMHKWDSOVWEVOZ-GOSISDBHSA-N 1 3 328.460 2.579 20 0 EFADHO C[C@H](NC(=O)N(C)Cc1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000754376134 575427114 /nfs/dbraw/zinc/42/71/14/575427114.db2.gz URUVFOVFDYFDRO-INIZCTEOSA-N 1 3 348.535 2.866 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](Cc3ccc4c(c3)COC4)CC2)CC1 ZINC000755236575 575564073 /nfs/dbraw/zinc/56/40/73/575564073.db2.gz PEFUCCSFOKVEQQ-UHFFFAOYSA-N 1 3 343.515 2.566 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCCCCCC[NH+](C)C ZINC000758408199 575869041 /nfs/dbraw/zinc/86/90/41/575869041.db2.gz RTELZVZPIUXBDV-QGZVFWFLSA-N 1 3 340.556 2.870 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000758687145 575875583 /nfs/dbraw/zinc/87/55/83/575875583.db2.gz UDRPVKBLIZRTKQ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000758687145 575875584 /nfs/dbraw/zinc/87/55/84/575875584.db2.gz UDRPVKBLIZRTKQ-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)c2ccccc2O1 ZINC000760993510 576098311 /nfs/dbraw/zinc/09/83/11/576098311.db2.gz BPARQODSWDXQHN-KRWDZBQOSA-N 1 3 345.487 2.608 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)C[C@H](O)c2ccco2)[C@H](C)C1 ZINC000763414290 576376540 /nfs/dbraw/zinc/37/65/40/576376540.db2.gz IOFXIMIEWBFCKE-BDXSIMOUSA-N 1 3 338.492 2.818 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@H](C)C[C@H](O)c2ccco2)[C@H](C)C1 ZINC000763414290 576376541 /nfs/dbraw/zinc/37/65/41/576376541.db2.gz IOFXIMIEWBFCKE-BDXSIMOUSA-N 1 3 338.492 2.818 20 0 EFADHO C[NH+](C)CCCCC(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000763456449 576378165 /nfs/dbraw/zinc/37/81/65/576378165.db2.gz ZWLAXNVUDQVNKT-UHFFFAOYSA-N 1 3 347.503 2.561 20 0 EFADHO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000763754145 576395961 /nfs/dbraw/zinc/39/59/61/576395961.db2.gz MVCAXSMTOIRSSX-NUJGCVRESA-N 1 3 342.483 2.828 20 0 EFADHO CCN1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@H](C)C1 ZINC000765372532 577036036 /nfs/dbraw/zinc/03/60/36/577036036.db2.gz QWSLWFWZVGXSIF-APWZRJJASA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765878208 577084503 /nfs/dbraw/zinc/08/45/03/577084503.db2.gz YTMYLPNOVMSGIN-CHWSQXEVSA-N 1 3 346.443 2.675 20 0 EFADHO CCOc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)c1 ZINC000765947145 577091263 /nfs/dbraw/zinc/09/12/63/577091263.db2.gz UMTWCXOXWXBSRN-WMZOPIPTSA-N 1 3 331.504 2.904 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000766222869 577123653 /nfs/dbraw/zinc/12/36/53/577123653.db2.gz NWUYOQWZBPYYFZ-UHFFFAOYSA-N 1 3 348.487 2.650 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(NCCCNc3ncccn3)CC2)C1 ZINC000766517238 577160876 /nfs/dbraw/zinc/16/08/76/577160876.db2.gz MHSKPWIZRAFUAD-AEFFLSMTSA-N 1 3 331.508 2.911 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+]CCCNc3ncccn3)CC2)C1 ZINC000766517238 577160879 /nfs/dbraw/zinc/16/08/79/577160879.db2.gz MHSKPWIZRAFUAD-AEFFLSMTSA-N 1 3 331.508 2.911 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000767925864 577242968 /nfs/dbraw/zinc/24/29/68/577242968.db2.gz GIGMOGABFXFWKV-UXHICEINSA-N 1 3 325.456 2.702 20 0 EFADHO COc1cccc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)oc21 ZINC000767927142 577243007 /nfs/dbraw/zinc/24/30/07/577243007.db2.gz PNLVFFBCYFSYTB-MSOLQXFVSA-N 1 3 344.455 2.909 20 0 EFADHO COc1cccc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)oc21 ZINC000767927143 577243024 /nfs/dbraw/zinc/24/30/24/577243024.db2.gz PNLVFFBCYFSYTB-QZTJIDSGSA-N 1 3 344.455 2.909 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000768941204 577318668 /nfs/dbraw/zinc/31/86/68/577318668.db2.gz QHRWSRNXKYIJJZ-SFHVURJKSA-N 1 3 342.487 2.740 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000768941204 577318669 /nfs/dbraw/zinc/31/86/69/577318669.db2.gz QHRWSRNXKYIJJZ-SFHVURJKSA-N 1 3 342.487 2.740 20 0 EFADHO COc1cccc2cc(CN3CCC(OCC[NH+](C)C)CC3)oc21 ZINC000769383097 577357360 /nfs/dbraw/zinc/35/73/60/577357360.db2.gz AWMDMHLEZWYTPK-UHFFFAOYSA-N 1 3 332.444 2.984 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)cc2)CC1 ZINC000771914152 581258396 /nfs/dbraw/zinc/25/83/96/581258396.db2.gz MYCMSSYSZGKHJE-INIZCTEOSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000773032867 581389423 /nfs/dbraw/zinc/38/94/23/581389423.db2.gz OVVVXIVALZAHCF-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000773032867 581389424 /nfs/dbraw/zinc/38/94/24/581389424.db2.gz OVVVXIVALZAHCF-ROUUACIJSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000773032865 581389533 /nfs/dbraw/zinc/38/95/33/581389533.db2.gz OVVVXIVALZAHCF-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000773032865 581389534 /nfs/dbraw/zinc/38/95/34/581389534.db2.gz OVVVXIVALZAHCF-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)NOC2CCN(C)CC2)cc1)C(C)C ZINC000773547837 581443511 /nfs/dbraw/zinc/44/35/11/581443511.db2.gz UXAWBOOWWCSJCA-UHFFFAOYSA-N 1 3 333.476 2.673 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)NOC2CCN(C)CC2)cc1)C(C)C ZINC000773547837 581443514 /nfs/dbraw/zinc/44/35/14/581443514.db2.gz UXAWBOOWWCSJCA-UHFFFAOYSA-N 1 3 333.476 2.673 20 0 EFADHO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(N2CCOCC2)c1 ZINC000774218828 581487403 /nfs/dbraw/zinc/48/74/03/581487403.db2.gz PZAOSNPFWQNJSO-YQQQUEKLSA-N 1 3 329.488 2.546 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000774651347 581496505 /nfs/dbraw/zinc/49/65/05/581496505.db2.gz VIKDUXKCOSEBEF-QZTJIDSGSA-N 1 3 340.895 2.806 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736535497 599314459 /nfs/dbraw/zinc/31/44/59/599314459.db2.gz XUBZZDNOHIPJBB-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736535497 599314462 /nfs/dbraw/zinc/31/44/62/599314462.db2.gz XUBZZDNOHIPJBB-HNNXBMFYSA-N 1 3 342.491 2.982 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000168054068 1249232237 /nfs/dbraw/zinc/23/22/37/1249232237.db2.gz KPJQRFWXKKKUFS-ZDUSSCGKSA-N 1 3 345.409 2.543 20 0 EFADHO CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530428 1249652243 /nfs/dbraw/zinc/65/22/43/1249652243.db2.gz ULJRGMFFJIGMRK-PXNSSMCTSA-N 1 3 335.536 2.737 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC(C)(C)C1)C2 ZINC001112530381 1249654528 /nfs/dbraw/zinc/65/45/28/1249654528.db2.gz RMWLUQNSXBQCNI-WFXMLNOXSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172210 1250195451 /nfs/dbraw/zinc/19/54/51/1250195451.db2.gz UZVPJRJLNLRQAL-JXFKEZNVSA-N 1 3 337.467 2.786 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C(N)=O)cc1 ZINC000398172210 1250195457 /nfs/dbraw/zinc/19/54/57/1250195457.db2.gz UZVPJRJLNLRQAL-JXFKEZNVSA-N 1 3 337.467 2.786 20 0 EFADHO CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000109443147 1248088189 /nfs/dbraw/zinc/08/81/89/1248088189.db2.gz LXPVZEXZHWIJDK-OALUTQOASA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000109443147 1248088194 /nfs/dbraw/zinc/08/81/94/1248088194.db2.gz LXPVZEXZHWIJDK-OALUTQOASA-N 1 3 331.504 2.978 20 0 EFADHO CC(C)(C)OC(=O)N(CCC[NH2+][C@@H]1CCCC[C@@H]1CN)C1CC1 ZINC000227619932 1248389563 /nfs/dbraw/zinc/38/95/63/1248389563.db2.gz LXXQQCKNHLGMLC-GDBMZVCRSA-N 1 3 325.497 2.883 20 0 EFADHO CC(C)(C)OC(=O)N(CCC[NH2+][C@H]1CCCC[C@H]1CN)C1CC1 ZINC000227619942 1248389788 /nfs/dbraw/zinc/38/97/88/1248389788.db2.gz LXXQQCKNHLGMLC-HOCLYGCPSA-N 1 3 325.497 2.883 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]CCCN2CCCC[C@H]2C)CC1 ZINC000850422046 1250479548 /nfs/dbraw/zinc/47/95/48/1250479548.db2.gz DGTBGRSPLUPKPE-KLAILNCOSA-N 1 3 325.497 2.898 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]C[C@H](C)CN2CCCCC2)CC1 ZINC000850423714 1250480058 /nfs/dbraw/zinc/48/00/58/1250480058.db2.gz AJSXYMRWHBLVJZ-GTPINHCMSA-N 1 3 325.497 2.755 20 0 EFADHO CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000850433807 1250484530 /nfs/dbraw/zinc/48/45/30/1250484530.db2.gz QOMRMOWYYCUCKX-KLAILNCOSA-N 1 3 325.497 2.754 20 0 EFADHO CO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C12CCC2 ZINC000850513098 1250517834 /nfs/dbraw/zinc/51/78/34/1250517834.db2.gz DMPNLFKZBABZSI-RTBURBONSA-N 1 3 329.488 2.841 20 0 EFADHO Cc1cc([C@H](C)[NH2+]CC2CCN(Cc3ccncc3)CC2)n(C)n1 ZINC000850515214 1250517978 /nfs/dbraw/zinc/51/79/78/1250517978.db2.gz UJMNMQQXUPKFSZ-INIZCTEOSA-N 1 3 327.476 2.686 20 0 EFADHO CCCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001755516788 1251119502 /nfs/dbraw/zinc/11/95/02/1251119502.db2.gz OVVOFYRNMSLFQM-YJBOKZPZSA-N 1 3 329.504 2.874 20 0 EFADHO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)(C)C ZINC000719966986 1251376967 /nfs/dbraw/zinc/37/69/67/1251376967.db2.gz APRWSVOJYXDLOB-QZTJIDSGSA-N 1 3 331.504 2.873 20 0 EFADHO CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)[C@@H](N)C(C)(C)C ZINC000719966986 1251376971 /nfs/dbraw/zinc/37/69/71/1251376971.db2.gz APRWSVOJYXDLOB-QZTJIDSGSA-N 1 3 331.504 2.873 20 0 EFADHO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCN2CCCC2)C1 ZINC000724032736 1251530098 /nfs/dbraw/zinc/53/00/98/1251530098.db2.gz WGKBCKKORBPVJV-JKSUJKDBSA-N 1 3 325.497 2.755 20 0 EFADHO C[C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)[NH2+]CCCC1CCC1 ZINC001752902178 1251944011 /nfs/dbraw/zinc/94/40/11/1251944011.db2.gz XFXFVKKFPLTPEY-HNAYVOBHSA-N 1 3 341.515 2.874 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC001003970909 1265615965 /nfs/dbraw/zinc/61/59/65/1265615965.db2.gz NQYMKGAOLREGQF-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)c(C)s1 ZINC001003970909 1265615971 /nfs/dbraw/zinc/61/59/71/1265615971.db2.gz NQYMKGAOLREGQF-MRXNPFEDSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493378 1252059700 /nfs/dbraw/zinc/05/97/00/1252059700.db2.gz VUUZPPUUOKATMN-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001089493378 1252059711 /nfs/dbraw/zinc/05/97/11/1252059711.db2.gz VUUZPPUUOKATMN-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NC2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001003967217 1265630603 /nfs/dbraw/zinc/63/06/03/1265630603.db2.gz JNVOUCMYEUWIRY-MTCRFPMVSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NC2CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001003967217 1265630612 /nfs/dbraw/zinc/63/06/12/1265630612.db2.gz JNVOUCMYEUWIRY-MTCRFPMVSA-N 1 3 341.499 2.622 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)[C@H](C)C1 ZINC001106910715 1252426329 /nfs/dbraw/zinc/42/63/29/1252426329.db2.gz LHBOZNJJNLMTSJ-POAQFYNOSA-N 1 3 343.515 2.700 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2csc(C)c2)[C@H](C)C1 ZINC001106910842 1252441520 /nfs/dbraw/zinc/44/15/20/1252441520.db2.gz RCNIZHFLARHMQP-RHSMWYFYSA-N 1 3 337.533 2.582 20 0 EFADHO C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484359643 1252446215 /nfs/dbraw/zinc/44/62/15/1252446215.db2.gz XPDGYBUQIBXRCN-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807260 1252764946 /nfs/dbraw/zinc/76/49/46/1252764946.db2.gz XTDGDRZSDFIRSR-MANSERQUSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807260 1252764954 /nfs/dbraw/zinc/76/49/54/1252764954.db2.gz XTDGDRZSDFIRSR-MANSERQUSA-N 1 3 347.547 2.828 20 0 EFADHO CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089807443 1252765314 /nfs/dbraw/zinc/76/53/14/1252765314.db2.gz ZKYINXCQCVOEMK-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001089807443 1252765320 /nfs/dbraw/zinc/76/53/20/1252765320.db2.gz ZKYINXCQCVOEMK-VJANTYMQSA-N 1 3 347.547 2.830 20 0 EFADHO CN(CCC[N@H+](C)C/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001484736706 1252872551 /nfs/dbraw/zinc/87/25/51/1252872551.db2.gz PIVWLGTWSMZHIC-XCJXAGMVSA-N 1 3 329.488 2.574 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C\c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001484736706 1252872560 /nfs/dbraw/zinc/87/25/60/1252872560.db2.gz PIVWLGTWSMZHIC-XCJXAGMVSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2)C(C)(C)C1 ZINC000995878295 1254811053 /nfs/dbraw/zinc/81/10/53/1254811053.db2.gz FAJLLLQAZIYGQQ-RTBURBONSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)CCC1 ZINC000995889543 1254836831 /nfs/dbraw/zinc/83/68/31/1254836831.db2.gz WABRFOIOGWOYGK-MRXNPFEDSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3CC(C)(C)C3)C(C)(C)C2)CCC1 ZINC000995889541 1254836862 /nfs/dbraw/zinc/83/68/62/1254836862.db2.gz WABRFOIOGWOYGK-INIZCTEOSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]([NH2+]CC3=CCCCC3)C(C)(C)C2)CCC1 ZINC000995890486 1254839524 /nfs/dbraw/zinc/83/95/24/1254839524.db2.gz BJAIRIQIUZERDS-KRWDZBQOSA-N 1 3 333.520 2.798 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)C1CC1 ZINC000995891193 1254839874 /nfs/dbraw/zinc/83/98/74/1254839874.db2.gz CPYKHZYNWVTWTM-QZTJIDSGSA-N 1 3 333.520 2.654 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1)C1CCC1 ZINC000995919438 1254842356 /nfs/dbraw/zinc/84/23/56/1254842356.db2.gz QVHIJBNVIYUDIK-SFHVURJKSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)CC1(C)C ZINC000995929959 1254849972 /nfs/dbraw/zinc/84/99/72/1254849972.db2.gz XNPVFWPEHJUFRK-OALUTQOASA-N 1 3 345.531 2.908 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](CC)N(C)C)CC2(C)C)cc1 ZINC000995944292 1254859189 /nfs/dbraw/zinc/85/91/89/1254859189.db2.gz BFRDGEFYXYQHHU-RTBURBONSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C(C)(C)C1)N(C)C ZINC000995946194 1254860933 /nfs/dbraw/zinc/86/09/33/1254860933.db2.gz GZSLOVKTBKBSTK-QZTJIDSGSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C(C)(C)C1)N(C)C ZINC000995948017 1254862578 /nfs/dbraw/zinc/86/25/78/1254862578.db2.gz JQCYLDQVTJWTRU-RTBURBONSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)ccc2C)C(C)(C)C1)N(C)C ZINC000995948186 1254863122 /nfs/dbraw/zinc/86/31/22/1254863122.db2.gz JUOOQKIEJJQLCL-MOPGFXCFSA-N 1 3 345.531 2.970 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1)N(C)C ZINC000995934427 1254867462 /nfs/dbraw/zinc/86/74/62/1254867462.db2.gz MXDHRNHINGAOFT-MSOLQXFVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)N(C)C ZINC000996244110 1255122937 /nfs/dbraw/zinc/12/29/37/1255122937.db2.gz FXFVQEWHLVYRKP-ZWKOTPCHSA-N 1 3 335.536 2.900 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)CC2(C)C)c1 ZINC000996245351 1255124373 /nfs/dbraw/zinc/12/43/73/1255124373.db2.gz IJLIGULJRKJHPM-RBUKOAKNSA-N 1 3 345.531 2.908 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccccc2)C(C)(C)C1)N(C)C ZINC000996247266 1255125858 /nfs/dbraw/zinc/12/58/58/1255125858.db2.gz NGYQCUCHRBQRIV-ZWKOTPCHSA-N 1 3 331.504 2.599 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC000996299688 1255184594 /nfs/dbraw/zinc/18/45/94/1255184594.db2.gz CEJSQMVEIRSVFH-QFBILLFUSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC000996299832 1255184668 /nfs/dbraw/zinc/18/46/68/1255184668.db2.gz FBQBRNXLNRYOCU-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000996300485 1255184812 /nfs/dbraw/zinc/18/48/12/1255184812.db2.gz MXUNBJYQHHZCHJ-AEFFLSMTSA-N 1 3 347.547 2.735 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]([NH2+]Cc3ccccc3)C(C)(C)C2)C1 ZINC000996307467 1255192137 /nfs/dbraw/zinc/19/21/37/1255192137.db2.gz BSLSMMUHANDJNZ-GOSISDBHSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccc(C)cc2)C(C)(C)C1)N(C)C ZINC000996316164 1255198181 /nfs/dbraw/zinc/19/81/81/1255198181.db2.gz XZBMOPCHZUXUKK-RBUKOAKNSA-N 1 3 345.531 2.704 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996505875 1255369339 /nfs/dbraw/zinc/36/93/39/1255369339.db2.gz JWNQWFAUJBNYGL-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000996663976 1255682276 /nfs/dbraw/zinc/68/22/76/1255682276.db2.gz BYPPMQYFNXOOLL-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccccc1F ZINC000996667463 1255686731 /nfs/dbraw/zinc/68/67/31/1255686731.db2.gz ZDAWEUHGBGNMGA-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)cc1 ZINC000996667257 1255687079 /nfs/dbraw/zinc/68/70/79/1255687079.db2.gz YYMNAJPEGTYTLM-UHFFFAOYSA-N 1 3 343.515 2.602 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccc(F)cc1 ZINC000996667835 1255690247 /nfs/dbraw/zinc/69/02/47/1255690247.db2.gz ZOKOGWDERKIXLM-OAHLLOKOSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]Cc3ccc(CF)cc3)CC2)CCC1 ZINC000996668488 1255693175 /nfs/dbraw/zinc/69/31/75/1255693175.db2.gz DLWOKOCLVUHBMB-UHFFFAOYSA-N 1 3 347.478 2.721 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1)C1CCC1 ZINC000996664729 1255700101 /nfs/dbraw/zinc/70/01/01/1255700101.db2.gz IEOMEPYMIABCTR-UHFFFAOYSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccc(F)cc1 ZINC000996674958 1255718070 /nfs/dbraw/zinc/71/80/70/1255718070.db2.gz DQLNEMVMPIYXBJ-AUUYWEPGSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1cccc(F)c1 ZINC000996676514 1255725279 /nfs/dbraw/zinc/72/52/79/1255725279.db2.gz HQWNCZMRGWHQOC-AUUYWEPGSA-N 1 3 347.478 2.808 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CC2CCCCCC2)CC1)C1CC1 ZINC000996678924 1255730719 /nfs/dbraw/zinc/73/07/19/1255730719.db2.gz OXAARQQVEKZCRW-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1F ZINC000996679016 1255730812 /nfs/dbraw/zinc/73/08/12/1255730812.db2.gz PMMGOZKGDGGDHZ-IBGZPJMESA-N 1 3 347.478 2.555 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000996680057 1255733351 /nfs/dbraw/zinc/73/33/51/1255733351.db2.gz SHMXEZVXADPSIF-GOSISDBHSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1 ZINC000996680840 1255734255 /nfs/dbraw/zinc/73/42/55/1255734255.db2.gz VKXZLIGVNYDFSY-HNAYVOBHSA-N 1 3 329.488 2.668 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](C/C=C/Cl)CC3)CCC1 ZINC001107436901 1255814271 /nfs/dbraw/zinc/81/42/71/1255814271.db2.gz XPUFXULXZXSBKZ-FKGPLYSJSA-N 1 3 339.911 2.584 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C/C=C/Cl)CC3)CCC1 ZINC001107436901 1255814280 /nfs/dbraw/zinc/81/42/80/1255814280.db2.gz XPUFXULXZXSBKZ-FKGPLYSJSA-N 1 3 339.911 2.584 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1)N(C)C ZINC000996712437 1255816794 /nfs/dbraw/zinc/81/67/94/1255816794.db2.gz ORUMMSCMMAKMPO-QFBILLFUSA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438656 1255821127 /nfs/dbraw/zinc/82/11/27/1255821127.db2.gz GKBRCLKVPUPDMH-SZVBFZGTSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107438656 1255821140 /nfs/dbraw/zinc/82/11/40/1255821140.db2.gz GKBRCLKVPUPDMH-SZVBFZGTSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439058 1255823198 /nfs/dbraw/zinc/82/31/98/1255823198.db2.gz PYORYNJZYRQZIC-KVSKMBFKSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@@]2(CNC(=O)CN(C)C3CCC3)CCC[C@@H]12 ZINC001107439058 1255823209 /nfs/dbraw/zinc/82/32/09/1255823209.db2.gz PYORYNJZYRQZIC-KVSKMBFKSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCC3)CC1)N(C)C ZINC000996713494 1255825263 /nfs/dbraw/zinc/82/52/63/1255825263.db2.gz VMYLETCFJVMIMF-HXUWFJFHSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC000996713773 1255827098 /nfs/dbraw/zinc/82/70/98/1255827098.db2.gz XBTTVPQHZYWDRL-GOSISDBHSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2)[NH+](C)C ZINC001107444338 1255832852 /nfs/dbraw/zinc/83/28/52/1255832852.db2.gz BHJSIKULOWPZRI-QLQGUKCWSA-N 1 3 341.927 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1N(C/C=C\Cl)CC2)[NH+](C)C ZINC001107444337 1255833918 /nfs/dbraw/zinc/83/39/18/1255833918.db2.gz BHJSIKULOWPZRI-KYDIUJPESA-N 1 3 341.927 2.686 20 0 EFADHO O=C(NC[C@]12CCC[C@H]1[N@H+](CC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC001107485193 1255951752 /nfs/dbraw/zinc/95/17/52/1255951752.db2.gz OFDFOPKDFCJXBO-SFHLNBCPSA-N 1 3 345.531 2.632 20 0 EFADHO O=C(NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC001107485193 1255951762 /nfs/dbraw/zinc/95/17/62/1255951762.db2.gz OFDFOPKDFCJXBO-SFHLNBCPSA-N 1 3 345.531 2.632 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC1CC1)CC2)N(C)C ZINC001107533750 1256068996 /nfs/dbraw/zinc/06/89/96/1256068996.db2.gz DYWUEUFNHJDLAK-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2)N(C)C ZINC001107533750 1256068998 /nfs/dbraw/zinc/06/89/98/1256068998.db2.gz DYWUEUFNHJDLAK-QWFCFKBJSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621723 1256319832 /nfs/dbraw/zinc/31/98/32/1256319832.db2.gz UXVFWDIWFNDDHB-LSBZLQRGSA-N 1 3 332.492 2.668 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621723 1256319837 /nfs/dbraw/zinc/31/98/37/1256319837.db2.gz UXVFWDIWFNDDHB-LSBZLQRGSA-N 1 3 332.492 2.668 20 0 EFADHO CC/C=C/CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621554 1256319974 /nfs/dbraw/zinc/31/99/74/1256319974.db2.gz QTSCESFBUKWFKC-SRXMEYSWSA-N 1 3 344.503 2.978 20 0 EFADHO CC/C=C/CC[N@H+]1CC[C@@]2(CNC(=O)Cc3nc[nH]c3C)CCC[C@@H]12 ZINC001107621554 1256319982 /nfs/dbraw/zinc/31/99/82/1256319982.db2.gz QTSCESFBUKWFKC-SRXMEYSWSA-N 1 3 344.503 2.978 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]CCCc2cccc(C)c2)CC1 ZINC001203455959 1256331449 /nfs/dbraw/zinc/33/14/49/1256331449.db2.gz LNHKJFQCQUTIGS-UHFFFAOYSA-N 1 3 345.531 2.850 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001107646294 1256370734 /nfs/dbraw/zinc/37/07/34/1256370734.db2.gz GOBPHFRAAGUXOL-IEBWSBKVSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2 ZINC001107646294 1256370742 /nfs/dbraw/zinc/37/07/42/1256370742.db2.gz GOBPHFRAAGUXOL-IEBWSBKVSA-N 1 3 349.544 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2CC)CC1 ZINC001203456210 1256401333 /nfs/dbraw/zinc/40/13/33/1256401333.db2.gz RKMUNTLLSSQOJM-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)c1 ZINC000996966784 1256582739 /nfs/dbraw/zinc/58/27/39/1256582739.db2.gz UOLKWHUELDZZLV-HXUWFJFHSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC[C@H]3C)CC2)c1 ZINC000996995222 1256642066 /nfs/dbraw/zinc/64/20/66/1256642066.db2.gz MLTMKKQTHCZOCV-QGZVFWFLSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000997005166 1256666248 /nfs/dbraw/zinc/66/62/48/1256666248.db2.gz HLYNGWSNDFDNQV-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)c(C)s1 ZINC000997005245 1256667105 /nfs/dbraw/zinc/66/71/05/1256667105.db2.gz HVWOCGVBBZNLDA-AWEZNQCLSA-N 1 3 349.544 2.787 20 0 EFADHO CCc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC000997006259 1256668722 /nfs/dbraw/zinc/66/87/22/1256668722.db2.gz KNZBIXYKSDBFOZ-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCC3CCCCC3)CC2)C1 ZINC000997008537 1256674912 /nfs/dbraw/zinc/67/49/12/1256674912.db2.gz VIMDEBGEGQHNSO-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1)N(C)C ZINC000997009101 1256680259 /nfs/dbraw/zinc/68/02/59/1256680259.db2.gz HHOVDYAACCKWSC-SFHVURJKSA-N 1 3 343.471 2.854 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1cccc(F)c1 ZINC000997009278 1256680989 /nfs/dbraw/zinc/68/09/89/1256680989.db2.gz ZJDGFAXELWIHAE-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cc2C)CC1)N(C)C ZINC000997009878 1256681456 /nfs/dbraw/zinc/68/14/56/1256681456.db2.gz PFISQRRZZCMPGE-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccccc1CC[NH2+]C1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000997013845 1256687723 /nfs/dbraw/zinc/68/77/23/1256687723.db2.gz DVCXKGQJESXCRU-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1)N(C)C ZINC000997015502 1256689152 /nfs/dbraw/zinc/68/91/52/1256689152.db2.gz QMQZDWGKVMSZAA-IBGZPJMESA-N 1 3 342.487 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1)N(C)C ZINC000997015075 1256689194 /nfs/dbraw/zinc/68/91/94/1256689194.db2.gz MVOSKGKUXQXTCO-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c(C)c1 ZINC000997034721 1256718358 /nfs/dbraw/zinc/71/83/58/1256718358.db2.gz CQPLZEAZXOQYRD-UHFFFAOYSA-N 1 3 340.471 2.658 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000997039344 1256725392 /nfs/dbraw/zinc/72/53/92/1256725392.db2.gz BYVLSVVHZILWRO-INIZCTEOSA-N 1 3 340.471 2.911 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000997042361 1256729851 /nfs/dbraw/zinc/72/98/51/1256729851.db2.gz PENKEABZTXEGAY-UHFFFAOYSA-N 1 3 332.492 2.893 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997043333 1256741719 /nfs/dbraw/zinc/74/17/19/1256741719.db2.gz YOPBHHJASOSOAK-HNNXBMFYSA-N 1 3 326.444 2.602 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ccsc2)CC1 ZINC000997098135 1256851969 /nfs/dbraw/zinc/85/19/69/1256851969.db2.gz QLRKMUDNIUIPOT-IIDMSEBBSA-N 1 3 349.544 2.805 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(Cc2ccsc2)CC1 ZINC000997098135 1256851980 /nfs/dbraw/zinc/85/19/80/1256851980.db2.gz QLRKMUDNIUIPOT-IIDMSEBBSA-N 1 3 349.544 2.805 20 0 EFADHO Cc1ccccc1C[NH2+]C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC000997115201 1256951826 /nfs/dbraw/zinc/95/18/26/1256951826.db2.gz KBOGPUWNRCVZCP-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000997115407 1256953432 /nfs/dbraw/zinc/95/34/32/1256953432.db2.gz NAIZZMQLFZLHON-CEXWTWQISA-N 1 3 347.547 2.735 20 0 EFADHO CC1CCN(CC(=O)N2CCC([NH2+]CCc3ccccc3)CC2)CC1 ZINC000997116407 1256957118 /nfs/dbraw/zinc/95/71/18/1256957118.db2.gz YRYOVNYBHKYGRR-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001032408035 1257132959 /nfs/dbraw/zinc/13/29/59/1257132959.db2.gz STQCGZZCVQCDNI-SLFFLAALSA-N 1 3 345.531 2.584 20 0 EFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCC1CCCCC1 ZINC001032408036 1257133210 /nfs/dbraw/zinc/13/32/10/1257133210.db2.gz STQCGZZCVQCDNI-UFYCRDLUSA-N 1 3 345.531 2.584 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000997301764 1257341083 /nfs/dbraw/zinc/34/10/83/1257341083.db2.gz IFNAEHNIKRKLAZ-UHFFFAOYSA-N 1 3 341.499 2.740 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)CN2CCCC2)CC1)c1ccc(F)cc1 ZINC000997307376 1257385773 /nfs/dbraw/zinc/38/57/73/1257385773.db2.gz PEVXEUNIWJMMIQ-OAHLLOKOSA-N 1 3 333.451 2.563 20 0 EFADHO CC1(C)CCC(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000997307512 1257385816 /nfs/dbraw/zinc/38/58/16/1257385816.db2.gz SSUPHADLELCMBB-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C)cc2)CC1 ZINC000997365346 1257454161 /nfs/dbraw/zinc/45/41/61/1257454161.db2.gz RYVDEUKYFIWPGQ-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1)C1CC1 ZINC001032445717 1257481828 /nfs/dbraw/zinc/48/18/28/1257481828.db2.gz OJBXTOJUQYZSGF-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1)C1CC1 ZINC001032445717 1257481833 /nfs/dbraw/zinc/48/18/33/1257481833.db2.gz OJBXTOJUQYZSGF-FHWLQOOXSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445786 1257483783 /nfs/dbraw/zinc/48/37/83/1257483783.db2.gz QRZSXHWRZFSSOB-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445786 1257483785 /nfs/dbraw/zinc/48/37/85/1257483785.db2.gz QRZSXHWRZFSSOB-FHWLQOOXSA-N 1 3 333.520 2.725 20 0 EFADHO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910690 1257626410 /nfs/dbraw/zinc/62/64/10/1257626410.db2.gz UPRQQGOKNAIERX-NBYUQASBSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910690 1257626416 /nfs/dbraw/zinc/62/64/16/1257626416.db2.gz UPRQQGOKNAIERX-NBYUQASBSA-N 1 3 341.499 2.551 20 0 EFADHO O=C(N1C[C@@H]2C[C@H]1CN2CCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001032472567 1257632170 /nfs/dbraw/zinc/63/21/70/1257632170.db2.gz YCXYONYNEOXPHS-OALUTQOASA-N 1 3 345.531 2.728 20 0 EFADHO CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040430274 1257690458 /nfs/dbraw/zinc/69/04/58/1257690458.db2.gz AAFVTIXUIIJEQC-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001040430274 1257690466 /nfs/dbraw/zinc/69/04/66/1257690466.db2.gz AAFVTIXUIIJEQC-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001410472425 1266133721 /nfs/dbraw/zinc/13/37/21/1266133721.db2.gz FASFLYCQKVBALI-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1ccccc1Cl ZINC001410472425 1266133726 /nfs/dbraw/zinc/13/37/26/1266133726.db2.gz FASFLYCQKVBALI-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032492995 1257856013 /nfs/dbraw/zinc/85/60/13/1257856013.db2.gz HCVIPQGVBNIQTE-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032492995 1257856017 /nfs/dbraw/zinc/85/60/17/1257856017.db2.gz HCVIPQGVBNIQTE-GBESFXJTSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032493450 1257866649 /nfs/dbraw/zinc/86/66/49/1257866649.db2.gz UTMZYXUBRKRINI-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032493450 1257866657 /nfs/dbraw/zinc/86/66/57/1257866657.db2.gz UTMZYXUBRKRINI-SLFFLAALSA-N 1 3 347.547 2.972 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC000997607725 1258104363 /nfs/dbraw/zinc/10/43/63/1258104363.db2.gz PXSXEAQHRONYQU-IBGZPJMESA-N 1 3 347.478 2.579 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000997608661 1258108506 /nfs/dbraw/zinc/10/85/06/1258108506.db2.gz VSWGCFQNYHJMFB-GOSISDBHSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000997611756 1258113108 /nfs/dbraw/zinc/11/31/08/1258113108.db2.gz HFDSGECZCOGNDD-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000997611732 1258113452 /nfs/dbraw/zinc/11/34/52/1258113452.db2.gz GMLFVOAOYOZZTI-IBGZPJMESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000997614321 1258117210 /nfs/dbraw/zinc/11/72/10/1258117210.db2.gz QIPKHDIKWCTTTP-QFBILLFUSA-N 1 3 329.488 2.670 20 0 EFADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997729671 1258318976 /nfs/dbraw/zinc/31/89/76/1258318976.db2.gz QGYPTKGCYIOXGD-LAQRGFTBSA-N 1 3 341.515 2.682 20 0 EFADHO CC[C@H](F)CN1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997729671 1258318981 /nfs/dbraw/zinc/31/89/81/1258318981.db2.gz QGYPTKGCYIOXGD-LAQRGFTBSA-N 1 3 341.515 2.682 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1cccc(OC)c1 ZINC001168596460 1258388488 /nfs/dbraw/zinc/38/84/88/1258388488.db2.gz WUTLRCWWFINMPO-UHFFFAOYSA-N 1 3 349.519 2.803 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997786903 1258410845 /nfs/dbraw/zinc/41/08/45/1258410845.db2.gz RSSPBMJTMIRQTL-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CC(C)(C)C2)CC1)C1CC1 ZINC000997830670 1258504378 /nfs/dbraw/zinc/50/43/78/1258504378.db2.gz LTZKKOIFSSTRJW-SFHVURJKSA-N 1 3 335.536 2.591 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC000997830311 1258504436 /nfs/dbraw/zinc/50/44/36/1258504436.db2.gz HXNLPRBVVRPVKS-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)C1CCC1 ZINC000997831570 1258505280 /nfs/dbraw/zinc/50/52/80/1258505280.db2.gz VMUZJHVOACNNOZ-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CN(CC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1)C1CCC1 ZINC000997831132 1258509100 /nfs/dbraw/zinc/50/91/00/1258509100.db2.gz RJHGEADHNZIYQL-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)N(C)C)CC2)c1 ZINC000997854246 1258532137 /nfs/dbraw/zinc/53/21/37/1258532137.db2.gz APMXCBMKWIFDFH-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001203460807 1258546944 /nfs/dbraw/zinc/54/69/44/1258546944.db2.gz XIZZURDXEYSGJD-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CCC[NH+]1CCC([C@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997870082 1258554644 /nfs/dbraw/zinc/55/46/44/1258554644.db2.gz CBKRFINBUGVLRQ-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[NH+]1CCC([C@H](C)NC(=O)c2ccccc2CN(C)C)CC1 ZINC000997874890 1258557995 /nfs/dbraw/zinc/55/79/95/1258557995.db2.gz TVXKQZISIBJZOC-INIZCTEOSA-N 1 3 331.504 2.987 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032581365 1258764706 /nfs/dbraw/zinc/76/47/06/1258764706.db2.gz SAXYXKSPHLVGFJ-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)C1 ZINC001032581365 1258764714 /nfs/dbraw/zinc/76/47/14/1258764714.db2.gz SAXYXKSPHLVGFJ-UFYCRDLUSA-N 1 3 347.547 2.974 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000997948610 1258814041 /nfs/dbraw/zinc/81/40/41/1258814041.db2.gz IYPDYPBHHQWLOH-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000997948610 1258814045 /nfs/dbraw/zinc/81/40/45/1258814045.db2.gz IYPDYPBHHQWLOH-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000997948612 1258814587 /nfs/dbraw/zinc/81/45/87/1258814587.db2.gz IYPDYPBHHQWLOH-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@H]1CCCN1C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000997948612 1258814594 /nfs/dbraw/zinc/81/45/94/1258814594.db2.gz IYPDYPBHHQWLOH-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000997949448 1258824703 /nfs/dbraw/zinc/82/47/03/1258824703.db2.gz NDBIRYPPJQWNDK-GJZGRUSLSA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000997949448 1258824705 /nfs/dbraw/zinc/82/47/05/1258824705.db2.gz NDBIRYPPJQWNDK-GJZGRUSLSA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@H+](CC2CCCC2)CC1 ZINC000997949910 1258826024 /nfs/dbraw/zinc/82/60/24/1258826024.db2.gz QAOFGBSJPQUUDI-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC000997949910 1258826033 /nfs/dbraw/zinc/82/60/33/1258826033.db2.gz QAOFGBSJPQUUDI-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC001004204106 1266215914 /nfs/dbraw/zinc/21/59/14/1266215914.db2.gz PLDKHAHDRGZZPM-HDICACEKSA-N 1 3 343.515 2.948 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CC[NH+](CCC3CC3)CC2)c1 ZINC001004204356 1266216893 /nfs/dbraw/zinc/21/68/93/1266216893.db2.gz SGQHTDWYRJSTSV-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCCCC3)CC2)C1 ZINC000998080944 1259079178 /nfs/dbraw/zinc/07/91/78/1259079178.db2.gz GDVQUXIJTBDOPH-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000998082094 1259086287 /nfs/dbraw/zinc/08/62/87/1259086287.db2.gz NNIINGKXIVLPOK-INIZCTEOSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)[C@H](CC)N(C)C)CC2)c1 ZINC000998084535 1259089207 /nfs/dbraw/zinc/08/92/07/1259089207.db2.gz APMXCBMKWIFDFH-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC000998085688 1259089794 /nfs/dbraw/zinc/08/97/94/1259089794.db2.gz IIDXURUOSAQDME-APWZRJJASA-N 1 3 331.504 2.916 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H](CC)N(C)C)CC1 ZINC000998085978 1259089953 /nfs/dbraw/zinc/08/99/53/1259089953.db2.gz LQPZHBTZDVKUJW-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC000998092776 1259100812 /nfs/dbraw/zinc/10/08/12/1259100812.db2.gz FZGKEWAEIFVAQA-OCKNTNFFSA-N 1 3 341.927 2.784 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177330 1259196875 /nfs/dbraw/zinc/19/68/75/1259196875.db2.gz STAUNGWWHZGHBM-IRXDYDNUSA-N 1 3 339.499 2.533 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188847 1259210679 /nfs/dbraw/zinc/21/06/79/1259210679.db2.gz KXFDRUOZUNMGPE-CABCVRRESA-N 1 3 349.441 2.594 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(CCC(F)(F)F)CC1 ZINC000998188847 1259210684 /nfs/dbraw/zinc/21/06/84/1259210684.db2.gz KXFDRUOZUNMGPE-CABCVRRESA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)CC1)N(C)C ZINC001032611280 1259291970 /nfs/dbraw/zinc/29/19/70/1259291970.db2.gz GJNVYPIWECBILQ-KFPRQRBHSA-N 1 3 335.536 2.684 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)CC1)N(C)C ZINC001032611280 1259291971 /nfs/dbraw/zinc/29/19/71/1259291971.db2.gz GJNVYPIWECBILQ-KFPRQRBHSA-N 1 3 335.536 2.684 20 0 EFADHO CCc1cccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000998269972 1259351319 /nfs/dbraw/zinc/35/13/19/1259351319.db2.gz SVVWOFRJYGILTP-UHFFFAOYSA-N 1 3 343.515 2.673 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC000998536439 1259654147 /nfs/dbraw/zinc/65/41/47/1259654147.db2.gz UMWKNYGITVWJIF-QLOJAFMTSA-N 1 3 343.515 2.785 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCc2ccccc2Cl)C1 ZINC000998554650 1259678593 /nfs/dbraw/zinc/67/85/93/1259678593.db2.gz ZQPXVTLSSGLXLE-LEOMRAHMSA-N 1 3 349.906 2.556 20 0 EFADHO CC(C)[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001036599786 1259747090 /nfs/dbraw/zinc/74/70/90/1259747090.db2.gz PMCMNVRDADSGPZ-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)[C@@H]1C[NH2+]CC1CC1 ZINC001036600373 1259748438 /nfs/dbraw/zinc/74/84/38/1259748438.db2.gz ZDRWCKVKKFIUJT-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000998732117 1259882261 /nfs/dbraw/zinc/88/22/61/1259882261.db2.gz QAZMQHTUOMYKJL-YJBOKZPZSA-N 1 3 349.906 2.823 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC000998732012 1259882974 /nfs/dbraw/zinc/88/29/74/1259882974.db2.gz QAZMQHTUOMYKJL-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998764776 1259923874 /nfs/dbraw/zinc/92/38/74/1259923874.db2.gz VGOJZJMWPIOGFS-FAFZWHIHSA-N 1 3 347.478 2.778 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2F)C1 ZINC000998764776 1259923881 /nfs/dbraw/zinc/92/38/81/1259923881.db2.gz VGOJZJMWPIOGFS-FAFZWHIHSA-N 1 3 347.478 2.778 20 0 EFADHO CN(C(=O)C12CCC[NH+]1CCC2)C1CC(NCc2ccccc2F)C1 ZINC000999049461 1260168354 /nfs/dbraw/zinc/16/83/54/1260168354.db2.gz FTBDIOARCCBCLA-UHFFFAOYSA-N 1 3 345.462 2.533 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946517164 1260204992 /nfs/dbraw/zinc/20/49/92/1260204992.db2.gz AIHSJPYTPHQHCO-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCC3CCC3)C[C@H]2CC1 ZINC000946517164 1260204997 /nfs/dbraw/zinc/20/49/97/1260204997.db2.gz AIHSJPYTPHQHCO-HSALFYBXSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC000999346308 1260549665 /nfs/dbraw/zinc/54/96/65/1260549665.db2.gz DAHJSOTUOAITNI-INIZCTEOSA-N 1 3 335.517 2.621 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)CCC1 ZINC000999347257 1260551469 /nfs/dbraw/zinc/55/14/69/1260551469.db2.gz HYKHDMDNQNXVJC-IEBWSBKVSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999348802 1260552204 /nfs/dbraw/zinc/55/22/04/1260552204.db2.gz QKRONNGDAGMONJ-IBGZPJMESA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999349835 1260553338 /nfs/dbraw/zinc/55/33/38/1260553338.db2.gz VJKDSDYWXKYNNA-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999350013 1260553407 /nfs/dbraw/zinc/55/34/07/1260553407.db2.gz VSPZCCLXHQCJLH-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1F ZINC000999372888 1260556027 /nfs/dbraw/zinc/55/60/27/1260556027.db2.gz PIYXRRJNCMUXEY-HKUYNNGSSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999377645 1260561012 /nfs/dbraw/zinc/56/10/12/1260561012.db2.gz WPPASOGOFOVTHL-IEBWSBKVSA-N 1 3 347.478 2.555 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999379412 1260562840 /nfs/dbraw/zinc/56/28/40/1260562840.db2.gz YOWKKPPKDQHWCZ-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000999362675 1260564012 /nfs/dbraw/zinc/56/40/12/1260564012.db2.gz CRJRLNHGFXGOCX-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC000999365653 1260567751 /nfs/dbraw/zinc/56/77/51/1260567751.db2.gz QPHBQSYBNHDSKO-GOSISDBHSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000999367011 1260569385 /nfs/dbraw/zinc/56/93/85/1260569385.db2.gz DHJFSBAJMYVMGY-MSOLQXFVSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CC1 ZINC000999367014 1260569580 /nfs/dbraw/zinc/56/95/80/1260569580.db2.gz DHJFSBAJMYVMGY-ZWKOTPCHSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000999370672 1260570785 /nfs/dbraw/zinc/57/07/85/1260570785.db2.gz LEQVLICQPVUOOO-ICSRJNTNSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC000999369603 1260571254 /nfs/dbraw/zinc/57/12/54/1260571254.db2.gz JMAFAYIZLWXUQL-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC000999369604 1260571301 /nfs/dbraw/zinc/57/13/01/1260571301.db2.gz JMTUKRDGMOOQOE-MSOLQXFVSA-N 1 3 349.906 2.761 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001112540420 1260588730 /nfs/dbraw/zinc/58/87/30/1260588730.db2.gz WHPYRYIUGBJYFP-NSHGMRRFSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001112540419 1260589010 /nfs/dbraw/zinc/58/90/10/1260589010.db2.gz WHPYRYIUGBJYFP-BJLQDIEVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999402468 1260594931 /nfs/dbraw/zinc/59/49/31/1260594931.db2.gz FUHSXIKAXASEOW-IVMQYODDSA-N 1 3 329.488 2.558 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000999404322 1260597090 /nfs/dbraw/zinc/59/70/90/1260597090.db2.gz VOQQYYPRRWAMLZ-DZIBYMRMSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000999404217 1260597119 /nfs/dbraw/zinc/59/71/19/1260597119.db2.gz UGVPMXIISMFQIW-NNGSBXSVSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC000999406190 1260600025 /nfs/dbraw/zinc/60/00/25/1260600025.db2.gz MTTIGXMOXADKGF-IGEOTXOUSA-N 1 3 335.517 2.620 20 0 EFADHO CCc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC000999406582 1260600415 /nfs/dbraw/zinc/60/04/15/1260600415.db2.gz ODXOIXARSBYKRG-PBPGXSGUSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cc(C[NH2+]C2CC(N(C)C(=O)CN3CC[C@H](C)C3)C2)c(C)s1 ZINC000999407889 1260602032 /nfs/dbraw/zinc/60/20/32/1260602032.db2.gz HRIAWFDOOVFKAU-TZYSRNFLSA-N 1 3 349.544 2.786 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC000999423614 1260612398 /nfs/dbraw/zinc/61/23/98/1260612398.db2.gz OOPTVTWTKIOUTG-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999431680 1260620392 /nfs/dbraw/zinc/62/03/92/1260620392.db2.gz DBLJDYKOEHIECQ-ICSRJNTNSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999432403 1260621556 /nfs/dbraw/zinc/62/15/56/1260621556.db2.gz GGSWPEYRODVRFY-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC000999435196 1260623666 /nfs/dbraw/zinc/62/36/66/1260623666.db2.gz QUGVCFVPWJSNSB-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999467618 1260658960 /nfs/dbraw/zinc/65/89/60/1260658960.db2.gz CRQQOZIYFBXZQP-UQPPLGOBSA-N 1 3 326.444 2.601 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1)N(C)C ZINC000999489673 1260712125 /nfs/dbraw/zinc/71/21/25/1260712125.db2.gz LJQYLRSZUWLCJV-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1)N(C)C ZINC000999494886 1260716513 /nfs/dbraw/zinc/71/65/13/1260716513.db2.gz IWGKJGKJYDNLOJ-QZTJIDSGSA-N 1 3 335.467 2.577 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCC(C)CC3)C2)cc1 ZINC000999599352 1260762376 /nfs/dbraw/zinc/76/23/76/1260762376.db2.gz UGJWVOQYPSETNK-UHFFFAOYSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999832315 1260944932 /nfs/dbraw/zinc/94/49/32/1260944932.db2.gz DMFZDQJGXLPQSI-AOCRQIFASA-N 1 3 329.488 2.731 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834856 1260947050 /nfs/dbraw/zinc/94/70/50/1260947050.db2.gz YNXWXPVLBSAKEB-UHFFFAOYSA-N 1 3 349.906 2.823 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000999868754 1260959512 /nfs/dbraw/zinc/95/95/12/1260959512.db2.gz BEDQBHLSYUYYJJ-UHFFFAOYSA-N 1 3 329.488 2.741 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1 ZINC000999876151 1260964727 /nfs/dbraw/zinc/96/47/27/1260964727.db2.gz HANPGHMJOJPLHT-MHJFOBGBSA-N 1 3 343.515 2.948 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032731381 1261093208 /nfs/dbraw/zinc/09/32/08/1261093208.db2.gz JAPPARXWGIDVTL-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCCC2)C1 ZINC001032731381 1261093210 /nfs/dbraw/zinc/09/32/10/1261093210.db2.gz JAPPARXWGIDVTL-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)c1ccccc1N(C)C2=O ZINC001272866924 1261194338 /nfs/dbraw/zinc/19/43/38/1261194338.db2.gz AHNWZRFZTRPJSV-UHFFFAOYSA-N 1 3 329.488 2.584 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N2CCC[C@@H]([NH2+]CC3CCC3)C2)C1 ZINC001000211297 1261233899 /nfs/dbraw/zinc/23/38/99/1261233899.db2.gz UXXNNFUABYIAAA-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H]1Cc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2O1 ZINC000921753732 1261365103 /nfs/dbraw/zinc/36/51/03/1261365103.db2.gz FHARGAGZVZNIBS-WBVHZDCISA-N 1 3 330.472 2.601 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000923296522 1261420635 /nfs/dbraw/zinc/42/06/35/1261420635.db2.gz USXBUVZZJWNSNM-IUODEOHRSA-N 1 3 335.275 2.696 20 0 EFADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303188 1261435773 /nfs/dbraw/zinc/43/57/73/1261435773.db2.gz ITRIETGXEWAHGQ-QGZVFWFLSA-N 1 3 348.874 2.613 20 0 EFADHO Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000923330772 1261468466 /nfs/dbraw/zinc/46/84/66/1261468466.db2.gz IKVIAZRNCROCRH-XYJFISCASA-N 1 3 334.504 2.701 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC001033073035 1266412134 /nfs/dbraw/zinc/41/21/34/1266412134.db2.gz PSWRPMNUALCOHI-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC001033073035 1266412137 /nfs/dbraw/zinc/41/21/37/1266412137.db2.gz PSWRPMNUALCOHI-UXHICEINSA-N 1 3 343.515 2.901 20 0 EFADHO CCCN(C[C@H](O)COc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000923326099 1261479596 /nfs/dbraw/zinc/47/95/96/1261479596.db2.gz FKQOFVQCXZKHHX-HNNXBMFYSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@H+](C[C@H](O)COc1ccccc1Cl)C1CCNCC1 ZINC000923326099 1261479605 /nfs/dbraw/zinc/47/96/05/1261479605.db2.gz FKQOFVQCXZKHHX-HNNXBMFYSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@@H+](C[C@H](O)COc1ccccc1Cl)C1CCNCC1 ZINC000923326099 1261479609 /nfs/dbraw/zinc/47/96/09/1261479609.db2.gz FKQOFVQCXZKHHX-HNNXBMFYSA-N 1 3 326.868 2.544 20 0 EFADHO C[C@H](c1cccnc1)N1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923327447 1261482016 /nfs/dbraw/zinc/48/20/16/1261482016.db2.gz PTOVNRBKXKSXMD-FQVATPOOSA-N 1 3 328.504 2.681 20 0 EFADHO [NH3+]CC[C@H]1CCCN(C[C@@H](O)c2cccc(Br)c2)C1 ZINC000923348380 1261513943 /nfs/dbraw/zinc/51/39/43/1261513943.db2.gz FJKKPIGEINEKCE-IUODEOHRSA-N 1 3 327.266 2.543 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000923389397 1261597804 /nfs/dbraw/zinc/59/78/04/1261597804.db2.gz XNZTWCMADCQVQI-UXLLHSPISA-N 1 3 342.405 2.670 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001006084070 1261663723 /nfs/dbraw/zinc/66/37/23/1261663723.db2.gz LRVVLINCGPPSSK-QGZVFWFLSA-N 1 3 327.488 2.532 20 0 EFADHO C[C@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000923487497 1261745644 /nfs/dbraw/zinc/74/56/44/1261745644.db2.gz DPBKSPMPZSFREZ-RYUDHWBXSA-N 1 3 344.286 2.841 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1 ZINC000923482599 1261752310 /nfs/dbraw/zinc/75/23/10/1261752310.db2.gz RUZXDPQHEHVLCE-QGZVFWFLSA-N 1 3 344.503 2.676 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800291 1261765659 /nfs/dbraw/zinc/76/56/59/1261765659.db2.gz GDICLTFTJZWFHJ-NJAFHUGGSA-N 1 3 329.488 2.693 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CN(C)C ZINC001032800291 1261765663 /nfs/dbraw/zinc/76/56/63/1261765663.db2.gz GDICLTFTJZWFHJ-NJAFHUGGSA-N 1 3 329.488 2.693 20 0 EFADHO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CC[C@@H](CC[NH3+])C1 ZINC000923489155 1261766725 /nfs/dbraw/zinc/76/67/25/1261766725.db2.gz CJUDUHACLSQTFA-IAGOWNOFSA-N 1 3 344.503 2.675 20 0 EFADHO [NH3+]CC[C@@H]1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000923491121 1261773108 /nfs/dbraw/zinc/77/31/08/1261773108.db2.gz JHQPCUTUGDGHBH-FOIQADDNSA-N 1 3 347.478 2.844 20 0 EFADHO CN(C)C(=O)[C@@H](c1ccccc1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923504049 1261801043 /nfs/dbraw/zinc/80/10/43/1261801043.db2.gz SWQDRDONFUNHAR-FXAWDEMLSA-N 1 3 343.515 2.918 20 0 EFADHO Cn1cc(-c2cc(CN3CCC([C@H]4CCC[NH2+]CC4)CC3)on2)cn1 ZINC000923506369 1261805976 /nfs/dbraw/zinc/80/59/76/1261805976.db2.gz IGJGUGKQRABISE-HNNXBMFYSA-N 1 3 343.475 2.677 20 0 EFADHO CC(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032804056 1261823014 /nfs/dbraw/zinc/82/30/14/1261823014.db2.gz VMCGDSLMAJCYKB-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO O=C(CCN1C[C@@H]2CC[NH2+]C[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000923519589 1261826564 /nfs/dbraw/zinc/82/65/64/1261826564.db2.gz UZCCBQOYRUAWEB-QWHCGFSZSA-N 1 3 341.377 2.575 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC2(CCC2)C1 ZINC001032802743 1261840689 /nfs/dbraw/zinc/84/06/89/1261840689.db2.gz MWNJCCMNJMXRTL-GBESFXJTSA-N 1 3 345.531 2.726 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC2(CCC2)C1 ZINC001032802743 1261840696 /nfs/dbraw/zinc/84/06/96/1261840696.db2.gz MWNJCCMNJMXRTL-GBESFXJTSA-N 1 3 345.531 2.726 20 0 EFADHO CCC(CC)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803731 1261847651 /nfs/dbraw/zinc/84/76/51/1261847651.db2.gz KVNVRORGNXAUTQ-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCCC1 ZINC001032803800 1261847976 /nfs/dbraw/zinc/84/79/76/1261847976.db2.gz LXUUNGJTZJBUKJ-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000947981287 1261929055 /nfs/dbraw/zinc/92/90/55/1261929055.db2.gz UUOZREZXCFLPPC-PBHICJAKSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000947981287 1261929058 /nfs/dbraw/zinc/92/90/58/1261929058.db2.gz UUOZREZXCFLPPC-PBHICJAKSA-N 1 3 332.492 2.810 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@@H]([NH2+]CC2CC2)C12CCC2)N1CCCCC1 ZINC001078627324 1262074732 /nfs/dbraw/zinc/07/47/32/1262074732.db2.gz YHGCWZBAUPULSG-IAGOWNOFSA-N 1 3 333.520 2.678 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2)N1CCCCC1 ZINC001078627323 1262074987 /nfs/dbraw/zinc/07/49/87/1262074987.db2.gz YHGCWZBAUPULSG-DLBZAZTESA-N 1 3 333.520 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001078796377 1262329761 /nfs/dbraw/zinc/32/97/61/1262329761.db2.gz ZGOZUIUPZBQJDV-ROUUACIJSA-N 1 3 344.503 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001078794671 1262360548 /nfs/dbraw/zinc/36/05/48/1262360548.db2.gz JXFABSGXQRRDQD-SJORKVTESA-N 1 3 344.503 2.714 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C23CCC3)c1 ZINC001078819214 1262362937 /nfs/dbraw/zinc/36/29/37/1262362937.db2.gz KCEPPJNSHWRCPG-OALUTQOASA-N 1 3 341.499 2.789 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1F ZINC001485882964 1262465757 /nfs/dbraw/zinc/46/57/57/1262465757.db2.gz YGAXXEVONBSNLA-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001485947136 1262514446 /nfs/dbraw/zinc/51/44/46/1262514446.db2.gz NAKNYCBWGVYHDG-ZSKKXUIOSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001486081523 1262602826 /nfs/dbraw/zinc/60/28/26/1262602826.db2.gz NKPOMFQEGBJSCN-SKXCUUQHSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486089722 1262611530 /nfs/dbraw/zinc/61/15/30/1262611530.db2.gz WOOWRQWRGPEOCS-FUHWJXTLSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H]1C ZINC001486092830 1262616456 /nfs/dbraw/zinc/61/64/56/1262616456.db2.gz RKIOXNANAPFCRV-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC2CCC(F)(F)CC2)C[C@@H]1C ZINC001486129431 1262662500 /nfs/dbraw/zinc/66/25/00/1262662500.db2.gz NMXAJXHBKXQUBE-HOCLYGCPSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[C@@H]1C ZINC001486127560 1262704549 /nfs/dbraw/zinc/70/45/49/1262704549.db2.gz FVEZUKKGJZRXFI-YOEHRIQHSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C2CC2)C[C@@H]1C ZINC001486128261 1262705127 /nfs/dbraw/zinc/70/51/27/1262705127.db2.gz JEBXSADUBUHGNK-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001486183935 1262762856 /nfs/dbraw/zinc/76/28/56/1262762856.db2.gz OJUYWCMPKMRQAO-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2)[C@@H]1C ZINC001486183935 1262762858 /nfs/dbraw/zinc/76/28/58/1262762858.db2.gz OJUYWCMPKMRQAO-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccc(F)cc3)C2)CCC1 ZINC001486202722 1262787937 /nfs/dbraw/zinc/78/79/37/1262787937.db2.gz ONFPSRAUFGIEKX-SJLPKXTDSA-N 1 3 347.478 2.685 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(F)(F)C1)C(C)(C)C)N(C)C ZINC001486411929 1263035283 /nfs/dbraw/zinc/03/52/83/1263035283.db2.gz VNPAPFRXVAOGAN-LSDHHAIUSA-N 1 3 347.494 2.738 20 0 EFADHO C[C@H]([NH2+]C1CC(N(C)C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001486466023 1263180927 /nfs/dbraw/zinc/18/09/27/1263180927.db2.gz XFMLCNPYOSOFEK-NNGSBXSVSA-N 1 3 347.478 2.950 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082507453 1263202385 /nfs/dbraw/zinc/20/23/85/1263202385.db2.gz QZXQZMHWSIXWGM-MISYRCLQSA-N 1 3 343.515 2.538 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559462 1263221102 /nfs/dbraw/zinc/22/11/02/1263221102.db2.gz GAHAXDFCYIPNJT-AHRSYUTCSA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001082559454 1263221929 /nfs/dbraw/zinc/22/19/29/1263221929.db2.gz FVXWMOZHRHXJKJ-FSPWUOQZSA-N 1 3 349.906 2.617 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001082559455 1263222094 /nfs/dbraw/zinc/22/20/94/1263222094.db2.gz FVXWMOZHRHXJKJ-XWIAVFTESA-N 1 3 349.906 2.617 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC001082559399 1263222196 /nfs/dbraw/zinc/22/21/96/1263222196.db2.gz DPIPNGWEXUNUGV-LZQZEXGQSA-N 1 3 349.563 2.980 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)N(C)C ZINC001082747503 1263290945 /nfs/dbraw/zinc/29/09/45/1263290945.db2.gz WTFODICEIHGYNI-NXHRZFHOSA-N 1 3 337.552 2.980 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001082747399 1263291909 /nfs/dbraw/zinc/29/19/09/1263291909.db2.gz QOARWFXEZWUPAP-AHRSYUTCSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(CC[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001082724927 1263303785 /nfs/dbraw/zinc/30/37/85/1263303785.db2.gz WWSHNVCVWCBLHX-MISYRCLQSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)c(C)c1 ZINC001082724809 1263303850 /nfs/dbraw/zinc/30/38/50/1263303850.db2.gz LOJMKZQCQJBDEU-MISYRCLQSA-N 1 3 345.531 2.826 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cc1 ZINC001082741356 1263313783 /nfs/dbraw/zinc/31/37/83/1263313783.db2.gz YNSHSFIAILIVSE-MBOZVWFJSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001082742217 1263314789 /nfs/dbraw/zinc/31/47/89/1263314789.db2.gz WDKYCFGMPDIJQZ-MBOZVWFJSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)c1 ZINC001082741764 1263314924 /nfs/dbraw/zinc/31/49/24/1263314924.db2.gz BGTNOQWSAKQONC-SQGPQFPESA-N 1 3 343.515 2.527 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082742804 1263315784 /nfs/dbraw/zinc/31/57/84/1263315784.db2.gz SLRCUUGURGANRC-HDMKZQKVSA-N 1 3 349.906 2.618 20 0 EFADHO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1NCc1ccccc1Cl ZINC001082742804 1263315796 /nfs/dbraw/zinc/31/57/96/1263315796.db2.gz SLRCUUGURGANRC-HDMKZQKVSA-N 1 3 349.906 2.618 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccccc1 ZINC001082767099 1263327977 /nfs/dbraw/zinc/32/79/77/1263327977.db2.gz UIHJNUNBZFTPNE-FHLIZLRMSA-N 1 3 326.444 2.540 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2)C1 ZINC001082943738 1263425298 /nfs/dbraw/zinc/42/52/98/1263425298.db2.gz ZUILTUSFOQORJM-MISYRCLQSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCCC3)C[C@H]21 ZINC001084338590 1263834744 /nfs/dbraw/zinc/83/47/44/1263834744.db2.gz XWGXMXJWCUVUKF-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001084338590 1263834764 /nfs/dbraw/zinc/83/47/64/1263834764.db2.gz XWGXMXJWCUVUKF-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344826 1263840347 /nfs/dbraw/zinc/84/03/47/1263840347.db2.gz IOEWSQFAOVABCI-RCCFBDPRSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001084344826 1263840361 /nfs/dbraw/zinc/84/03/61/1263840361.db2.gz IOEWSQFAOVABCI-RCCFBDPRSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001084427234 1263900874 /nfs/dbraw/zinc/90/08/74/1263900874.db2.gz AEZIJDBOKFVCEY-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21)N(C)C ZINC001084427234 1263900882 /nfs/dbraw/zinc/90/08/82/1263900882.db2.gz AEZIJDBOKFVCEY-QRVBRYPASA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001084639472 1264101473 /nfs/dbraw/zinc/10/14/73/1264101473.db2.gz UOXXOJVJVFFCBY-VAMGGRTRSA-N 1 3 347.547 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3=CCCCC3)C[C@H]21)N(C)C ZINC001084639472 1264101481 /nfs/dbraw/zinc/10/14/81/1264101481.db2.gz UOXXOJVJVFFCBY-VAMGGRTRSA-N 1 3 347.547 2.996 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001002815730 1264121795 /nfs/dbraw/zinc/12/17/95/1264121795.db2.gz QYOOQATZGIXUKT-OAHLLOKOSA-N 1 3 327.488 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001410170132 1264158374 /nfs/dbraw/zinc/15/83/74/1264158374.db2.gz DMJBOIWCMYAOAG-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001410170132 1264158380 /nfs/dbraw/zinc/15/83/80/1264158380.db2.gz DMJBOIWCMYAOAG-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084767887 1264347845 /nfs/dbraw/zinc/34/78/45/1264347845.db2.gz NDEMOPDBYNAUNE-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084767887 1264347853 /nfs/dbraw/zinc/34/78/53/1264347853.db2.gz NDEMOPDBYNAUNE-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001084767614 1264348664 /nfs/dbraw/zinc/34/86/64/1264348664.db2.gz CULAMFPHFKBGKY-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC)C[C@H]21 ZINC001084767614 1264348675 /nfs/dbraw/zinc/34/86/75/1264348675.db2.gz CULAMFPHFKBGKY-CEXWTWQISA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001002955388 1264354747 /nfs/dbraw/zinc/35/47/47/1264354747.db2.gz MJUJBKFAQRSOGZ-GOSISDBHSA-N 1 3 349.544 2.746 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972781 1264485503 /nfs/dbraw/zinc/48/55/03/1264485503.db2.gz WYZLDJZTGNFPMX-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CCN(C)C)C3)cc1 ZINC001272972781 1264485508 /nfs/dbraw/zinc/48/55/08/1264485508.db2.gz WYZLDJZTGNFPMX-HXUWFJFHSA-N 1 3 329.488 2.514 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852050 1264532263 /nfs/dbraw/zinc/53/22/63/1264532263.db2.gz DGCYXEOQEYRFSM-UYAOXDASSA-N 1 3 341.499 2.861 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850078 1264536560 /nfs/dbraw/zinc/53/65/60/1264536560.db2.gz IYLZTIKHXWLICU-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001084850078 1264536563 /nfs/dbraw/zinc/53/65/63/1264536563.db2.gz IYLZTIKHXWLICU-RTBURBONSA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084853444 1264539745 /nfs/dbraw/zinc/53/97/45/1264539745.db2.gz QBOQTJLHIJAINP-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21)N1CCCCC1 ZINC001084853444 1264539767 /nfs/dbraw/zinc/53/97/67/1264539767.db2.gz QBOQTJLHIJAINP-AQNXPRMDSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938823 1264711456 /nfs/dbraw/zinc/71/14/56/1264711456.db2.gz GSAYEKDSBLJHSI-QRVBRYPASA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)C)C[C@@H]21 ZINC001084938823 1264711466 /nfs/dbraw/zinc/71/14/66/1264711466.db2.gz GSAYEKDSBLJHSI-QRVBRYPASA-N 1 3 333.520 2.748 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001032840088 1264715465 /nfs/dbraw/zinc/71/54/65/1264715465.db2.gz LMIHRIPUADMHFI-QGZVKYPTSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1cccc([C@H](C)N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001032840088 1264715476 /nfs/dbraw/zinc/71/54/76/1264715476.db2.gz LMIHRIPUADMHFI-QGZVKYPTSA-N 1 3 343.515 2.977 20 0 EFADHO CN(CC(=O)N(C)[C@@H](C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001410311001 1264726476 /nfs/dbraw/zinc/72/64/76/1264726476.db2.gz MLXOZWBNONTNGY-IBGZPJMESA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)(C(=O)NC1CC[NH+](CC2=CCCCC2)CC1)N1CCCC1 ZINC001003425013 1264746044 /nfs/dbraw/zinc/74/60/44/1264746044.db2.gz ZEIYKRVXALUDPP-UHFFFAOYSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001084953433 1264754978 /nfs/dbraw/zinc/75/49/78/1264754978.db2.gz LIJKDLJKAFDLAR-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001084953433 1264754984 /nfs/dbraw/zinc/75/49/84/1264754984.db2.gz LIJKDLJKAFDLAR-QYZOEREBSA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@H]2C1 ZINC001084952606 1264755150 /nfs/dbraw/zinc/75/51/50/1264755150.db2.gz ADZFWYGLRBWMAC-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001084952606 1264755161 /nfs/dbraw/zinc/75/51/61/1264755161.db2.gz ADZFWYGLRBWMAC-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084953490 1264755423 /nfs/dbraw/zinc/75/54/23/1264755423.db2.gz PZJGVGSTDKGHRE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084953490 1264755429 /nfs/dbraw/zinc/75/54/29/1264755429.db2.gz PZJGVGSTDKGHRE-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001004371457 1266795190 /nfs/dbraw/zinc/79/51/90/1266795190.db2.gz OMRVUOMGHLNDQC-YCFODECYSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001004371457 1266795201 /nfs/dbraw/zinc/79/52/01/1266795201.db2.gz OMRVUOMGHLNDQC-YCFODECYSA-N 1 3 339.911 2.536 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004935 1264886543 /nfs/dbraw/zinc/88/65/43/1264886543.db2.gz XEFUHJHUPLUASC-KSZLIROESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004935 1264886557 /nfs/dbraw/zinc/88/65/57/1264886557.db2.gz XEFUHJHUPLUASC-KSZLIROESA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001410388820 1264979116 /nfs/dbraw/zinc/97/91/16/1264979116.db2.gz ORUYPHDZNRBPSZ-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN3CCC[C@H]3C)CC2)c1 ZINC001003622875 1264980871 /nfs/dbraw/zinc/98/08/71/1264980871.db2.gz AVXOQIYBZNTFQZ-GOSISDBHSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001003625487 1264985503 /nfs/dbraw/zinc/98/55/03/1264985503.db2.gz HCHCECWXOHOYLU-INIZCTEOSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001410390242 1264989739 /nfs/dbraw/zinc/98/97/39/1264989739.db2.gz SMLDUJDYLPPAGX-LPHOPBHVSA-N 1 3 333.520 2.772 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001003628172 1264997958 /nfs/dbraw/zinc/99/79/58/1264997958.db2.gz NHBMCOLVDWVXDJ-DNVCBOLYSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049497 1265027598 /nfs/dbraw/zinc/02/75/98/1265027598.db2.gz FFKWOXJPRPNBET-UHOSZYNNSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049497 1265027603 /nfs/dbraw/zinc/02/76/03/1265027603.db2.gz FFKWOXJPRPNBET-UHOSZYNNSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049684 1265029515 /nfs/dbraw/zinc/02/95/15/1265029515.db2.gz RUXSZELBVLDXEU-RLLQIKCJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1)N1CCCCCC1 ZINC001085049684 1265029522 /nfs/dbraw/zinc/02/95/22/1265029522.db2.gz RUXSZELBVLDXEU-RLLQIKCJSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)C1 ZINC001085074880 1265084021 /nfs/dbraw/zinc/08/40/21/1265084021.db2.gz HEWQEATZCZJPIL-JQHSSLGASA-N 1 3 347.528 2.513 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3CCN(Cc4ccsc4)[C@H]3C2)C1 ZINC001085074880 1265084029 /nfs/dbraw/zinc/08/40/29/1265084029.db2.gz HEWQEATZCZJPIL-JQHSSLGASA-N 1 3 347.528 2.513 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)CN(C)CC(C)(C)C)c1 ZINC001410439368 1265322377 /nfs/dbraw/zinc/32/23/77/1265322377.db2.gz QYMVFKRECLUDBQ-MRXNPFEDSA-N 1 3 349.519 2.610 20 0 EFADHO C[C@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000733936123 1266779164 /nfs/dbraw/zinc/77/91/64/1266779164.db2.gz RIGNKPSFLPZFRV-QGZVFWFLSA-N 1 3 347.503 2.854 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004374274 1266810654 /nfs/dbraw/zinc/81/06/54/1266810654.db2.gz ZSXZVMHZMCLXHO-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001004374274 1266810669 /nfs/dbraw/zinc/81/06/69/1266810669.db2.gz ZSXZVMHZMCLXHO-RTBURBONSA-N 1 3 333.520 2.750 20 0 EFADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1)[C@H](C1CC1)N1CCCC1 ZINC001085284607 1267017276 /nfs/dbraw/zinc/01/72/76/1267017276.db2.gz CXJHOONWSCECDX-QRVBRYPASA-N 1 3 333.520 2.678 20 0 EFADHO CC1([NH+]2CCC2)CCC(NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000922845140 1267025115 /nfs/dbraw/zinc/02/51/15/1267025115.db2.gz BYIULYSGSHMMHN-UHFFFAOYSA-N 1 3 342.530 2.648 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1)C1CCC1 ZINC001004454996 1267080142 /nfs/dbraw/zinc/08/01/42/1267080142.db2.gz BXLPQXRUGCFRBO-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1)C1CCC1 ZINC001004454996 1267080151 /nfs/dbraw/zinc/08/01/51/1267080151.db2.gz BXLPQXRUGCFRBO-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC3CC3)CC2)CCC1 ZINC001004456869 1267086508 /nfs/dbraw/zinc/08/65/08/1267086508.db2.gz IOZPPTLWSAJJIG-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@@H]3CCC[N@H+]3CC3CC3)CC2)CCC1 ZINC001004456869 1267086517 /nfs/dbraw/zinc/08/65/17/1267086517.db2.gz IOZPPTLWSAJJIG-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC3CCC3)CC2)CCC1 ZINC001004457879 1267093811 /nfs/dbraw/zinc/09/38/11/1267093811.db2.gz MBABVOIFAYXZNR-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CCC[N@H+]3CC3CCC3)CC2)CCC1 ZINC001004457879 1267093822 /nfs/dbraw/zinc/09/38/22/1267093822.db2.gz MBABVOIFAYXZNR-LJQANCHMSA-N 1 3 347.547 2.974 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459331 1267096732 /nfs/dbraw/zinc/09/67/32/1267096732.db2.gz SSFJCPOQXFWGEI-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001004459331 1267096744 /nfs/dbraw/zinc/09/67/44/1267096744.db2.gz SSFJCPOQXFWGEI-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033126195 1267168515 /nfs/dbraw/zinc/16/85/15/1267168515.db2.gz LCOMDYJKAGHJNY-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033126195 1267168520 /nfs/dbraw/zinc/16/85/20/1267168520.db2.gz LCOMDYJKAGHJNY-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001085332348 1267179434 /nfs/dbraw/zinc/17/94/34/1267179434.db2.gz UFBDVBDWZJLRCC-IIDMSEBBSA-N 1 3 327.488 2.626 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623137 1267213381 /nfs/dbraw/zinc/21/33/81/1267213381.db2.gz DOUXFXXOXXXALV-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623137 1267213385 /nfs/dbraw/zinc/21/33/85/1267213385.db2.gz DOUXFXXOXXXALV-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623098 1267213940 /nfs/dbraw/zinc/21/39/40/1267213940.db2.gz BHOMOULRQUYGPS-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)CC[C@@H]2C1 ZINC000946623098 1267213947 /nfs/dbraw/zinc/21/39/47/1267213947.db2.gz BHOMOULRQUYGPS-HDICACEKSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623563 1267216081 /nfs/dbraw/zinc/21/60/81/1267216081.db2.gz MJNNKMKUBFPLAX-KANFNMMFSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)CC[C@@H]2C1 ZINC000946623563 1267216090 /nfs/dbraw/zinc/21/60/90/1267216090.db2.gz MJNNKMKUBFPLAX-KANFNMMFSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1)N(C)C ZINC001004549385 1267275416 /nfs/dbraw/zinc/27/54/16/1267275416.db2.gz YQFYQHCHUQIYMA-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1)N(C)C ZINC001004549385 1267275430 /nfs/dbraw/zinc/27/54/30/1267275430.db2.gz YQFYQHCHUQIYMA-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004587204 1267345238 /nfs/dbraw/zinc/34/52/38/1267345238.db2.gz YKJPSBLLIZTJDS-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001004587204 1267345249 /nfs/dbraw/zinc/34/52/49/1267345249.db2.gz YKJPSBLLIZTJDS-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1 ZINC001085406412 1267393498 /nfs/dbraw/zinc/39/34/98/1267393498.db2.gz DWEJAPDYCKQNQO-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618461 1267413094 /nfs/dbraw/zinc/41/30/94/1267413094.db2.gz WWCPHFBATPNPAQ-ZWKOTPCHSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618461 1267413099 /nfs/dbraw/zinc/41/30/99/1267413099.db2.gz WWCPHFBATPNPAQ-ZWKOTPCHSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618458 1267413362 /nfs/dbraw/zinc/41/33/62/1267413362.db2.gz WWCPHFBATPNPAQ-ROUUACIJSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618458 1267413363 /nfs/dbraw/zinc/41/33/63/1267413363.db2.gz WWCPHFBATPNPAQ-ROUUACIJSA-N 1 3 339.499 2.533 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001085422223 1267427571 /nfs/dbraw/zinc/42/75/71/1267427571.db2.gz LMXVUXHOPCPIHB-ATZDWAIDSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001085422223 1267427576 /nfs/dbraw/zinc/42/75/76/1267427576.db2.gz LMXVUXHOPCPIHB-ATZDWAIDSA-N 1 3 347.478 2.603 20 0 EFADHO CCCc1ccc(CN2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)s1 ZINC001273341737 1267675306 /nfs/dbraw/zinc/67/53/06/1267675306.db2.gz UVENBWRWQKKFGY-IBGZPJMESA-N 1 3 349.544 2.829 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001128533456 1267701671 /nfs/dbraw/zinc/70/16/71/1267701671.db2.gz MUDBARKSAZUZKS-KXBFYZLASA-N 1 3 349.494 2.622 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001128533455 1267701777 /nfs/dbraw/zinc/70/17/77/1267701777.db2.gz MUDBARKSAZUZKS-HNAYVOBHSA-N 1 3 349.494 2.622 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001128533274 1267703687 /nfs/dbraw/zinc/70/36/87/1267703687.db2.gz KLOSSCKGISOVNQ-HNNXBMFYSA-N 1 3 345.409 2.510 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccc(Cl)cc1C ZINC001128534518 1267710484 /nfs/dbraw/zinc/71/04/84/1267710484.db2.gz YWYFFICKDGCWTH-MRXNPFEDSA-N 1 3 343.874 2.534 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001128534481 1267710524 /nfs/dbraw/zinc/71/05/24/1267710524.db2.gz YISJEKQYZHJVCH-XJKSGUPXSA-N 1 3 343.874 2.787 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085593505 1267939129 /nfs/dbraw/zinc/93/91/29/1267939129.db2.gz KTZPAFKEFVYLAL-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CCN1CCCC1CCC1 ZINC001085593505 1267939134 /nfs/dbraw/zinc/93/91/34/1267939134.db2.gz KTZPAFKEFVYLAL-RTBURBONSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598077 1267963416 /nfs/dbraw/zinc/96/34/16/1267963416.db2.gz MOIKKFGGHLZPTA-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C[C@H]1CCN1CC1CC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598077 1267963421 /nfs/dbraw/zinc/96/34/21/1267963421.db2.gz MOIKKFGGHLZPTA-IEBWSBKVSA-N 1 3 333.520 2.584 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604216 1267982726 /nfs/dbraw/zinc/98/27/26/1267982726.db2.gz ABLRHFNJWYENFA-CEXWTWQISA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604216 1267982732 /nfs/dbraw/zinc/98/27/32/1267982732.db2.gz ABLRHFNJWYENFA-CEXWTWQISA-N 1 3 343.515 2.676 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1 ZINC001085628668 1268049395 /nfs/dbraw/zinc/04/93/95/1268049395.db2.gz CKJYNCODWHTRQM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001085628668 1268049408 /nfs/dbraw/zinc/04/94/08/1268049408.db2.gz CKJYNCODWHTRQM-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085629140 1268053387 /nfs/dbraw/zinc/05/33/87/1268053387.db2.gz MIANWUISOPVFQD-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CCCC1CCC1 ZINC001085629140 1268053398 /nfs/dbraw/zinc/05/33/98/1268053398.db2.gz MIANWUISOPVFQD-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@@H]1CCN(Cc2ccsc2)C1 ZINC001033229440 1268338616 /nfs/dbraw/zinc/33/86/16/1268338616.db2.gz BCWGOFZWHIQGNM-MRXNPFEDSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCN(Cc2ccsc2)C1 ZINC001033229440 1268338628 /nfs/dbraw/zinc/33/86/28/1268338628.db2.gz BCWGOFZWHIQGNM-MRXNPFEDSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033229440 1268338642 /nfs/dbraw/zinc/33/86/42/1268338642.db2.gz BCWGOFZWHIQGNM-MRXNPFEDSA-N 1 3 340.452 2.742 20 0 EFADHO CN(C(=O)c1ccn2cncc2c1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033229440 1268338655 /nfs/dbraw/zinc/33/86/55/1268338655.db2.gz BCWGOFZWHIQGNM-MRXNPFEDSA-N 1 3 340.452 2.742 20 0 EFADHO CC/C=C\CCC[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001273117176 1268341622 /nfs/dbraw/zinc/34/16/22/1268341622.db2.gz XLFLYKGPSVEZEO-WAYWQWQTSA-N 1 3 335.536 2.999 20 0 EFADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085782311 1268504145 /nfs/dbraw/zinc/50/41/45/1268504145.db2.gz RLKRUAGRNFYBOO-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085782311 1268504155 /nfs/dbraw/zinc/50/41/55/1268504155.db2.gz RLKRUAGRNFYBOO-OALUTQOASA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779916 1268520546 /nfs/dbraw/zinc/52/05/46/1268520546.db2.gz VPTZUMVPANOHEA-HCXYKTFWSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779916 1268520551 /nfs/dbraw/zinc/52/05/51/1268520551.db2.gz VPTZUMVPANOHEA-HCXYKTFWSA-N 1 3 335.536 2.687 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)CC1 ZINC001273125474 1268606226 /nfs/dbraw/zinc/60/62/26/1268606226.db2.gz QIGWOEQTVLPCRD-MOPGFXCFSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=C[C@@H](C)[C@@H](C[NH+]2CCC3(CCN(CCN(C)C)C3=O)CC2)CC1 ZINC001273125485 1268615090 /nfs/dbraw/zinc/61/50/90/1268615090.db2.gz QIGWOEQTVLPCRD-RTBURBONSA-N 1 3 347.547 2.855 20 0 EFADHO CCCc1ccc(C[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001273364032 1268624658 /nfs/dbraw/zinc/62/46/58/1268624658.db2.gz UOCGXYFVZSPBQR-NRFANRHFSA-N 1 3 343.515 2.625 20 0 EFADHO CCCc1ccc(C[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)cc1 ZINC001273364032 1268624665 /nfs/dbraw/zinc/62/46/65/1268624665.db2.gz UOCGXYFVZSPBQR-NRFANRHFSA-N 1 3 343.515 2.625 20 0 EFADHO C[C@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085819568 1268653841 /nfs/dbraw/zinc/65/38/41/1268653841.db2.gz BGXYWFAAHRDZBN-QFBILLFUSA-N 1 3 349.494 2.685 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033294765 1268690950 /nfs/dbraw/zinc/69/09/50/1268690950.db2.gz DXNCWGFIQCYBAY-WOJBJXKFSA-N 1 3 345.531 2.894 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033295185 1268692001 /nfs/dbraw/zinc/69/20/01/1268692001.db2.gz IUNHTKPHRQFQNA-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033295185 1268692008 /nfs/dbraw/zinc/69/20/08/1268692008.db2.gz IUNHTKPHRQFQNA-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033295469 1268692326 /nfs/dbraw/zinc/69/23/26/1268692326.db2.gz LECKXFKDDHNJHU-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001033295469 1268692327 /nfs/dbraw/zinc/69/23/27/1268692327.db2.gz LECKXFKDDHNJHU-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033320155 1268771351 /nfs/dbraw/zinc/77/13/51/1268771351.db2.gz SHLMVWJKJSYNHK-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033320155 1268771354 /nfs/dbraw/zinc/77/13/54/1268771354.db2.gz SHLMVWJKJSYNHK-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033320987 1268782015 /nfs/dbraw/zinc/78/20/15/1268782015.db2.gz YXSCSMGRNJBPOI-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033320987 1268782025 /nfs/dbraw/zinc/78/20/25/1268782025.db2.gz YXSCSMGRNJBPOI-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(CCc2ccccc2)C1 ZINC001033320987 1268782032 /nfs/dbraw/zinc/78/20/32/1268782032.db2.gz YXSCSMGRNJBPOI-IBGZPJMESA-N 1 3 343.515 2.636 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001085856434 1268803507 /nfs/dbraw/zinc/80/35/07/1268803507.db2.gz ZADWRLFYTZKIAR-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001085856434 1268803534 /nfs/dbraw/zinc/80/35/34/1268803534.db2.gz ZADWRLFYTZKIAR-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1CCN(CCCF)C1 ZINC001033365719 1268948049 /nfs/dbraw/zinc/94/80/49/1268948049.db2.gz QZUAVVODTJMDHC-ZWKOTPCHSA-N 1 3 339.499 2.676 20 0 EFADHO CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CCN(CCCF)C1 ZINC001033365719 1268948057 /nfs/dbraw/zinc/94/80/57/1268948057.db2.gz QZUAVVODTJMDHC-ZWKOTPCHSA-N 1 3 339.499 2.676 20 0 EFADHO CN(C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CCN(CCCF)C1 ZINC001033365716 1268949380 /nfs/dbraw/zinc/94/93/80/1268949380.db2.gz QZUAVVODTJMDHC-MSOLQXFVSA-N 1 3 339.499 2.676 20 0 EFADHO CN(C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CCN(CCCF)C1 ZINC001033365716 1268949388 /nfs/dbraw/zinc/94/93/88/1268949388.db2.gz QZUAVVODTJMDHC-MSOLQXFVSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414525 1269081830 /nfs/dbraw/zinc/08/18/30/1269081830.db2.gz CIGLSKPUAWVEHP-QFBILLFUSA-N 1 3 339.499 2.698 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414525 1269081838 /nfs/dbraw/zinc/08/18/38/1269081838.db2.gz CIGLSKPUAWVEHP-QFBILLFUSA-N 1 3 339.499 2.698 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085918505 1269081944 /nfs/dbraw/zinc/08/19/44/1269081944.db2.gz FJTDIBTYXURLFH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085918505 1269081950 /nfs/dbraw/zinc/08/19/50/1269081950.db2.gz FJTDIBTYXURLFH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085918505 1269081954 /nfs/dbraw/zinc/08/19/54/1269081954.db2.gz FJTDIBTYXURLFH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CCN1CC1CCC1 ZINC001085918505 1269081959 /nfs/dbraw/zinc/08/19/59/1269081959.db2.gz FJTDIBTYXURLFH-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001033419379 1269082259 /nfs/dbraw/zinc/08/22/59/1269082259.db2.gz JDBHNNZRWIAIDL-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)CN2CC[C@@H](C)C2)C1 ZINC001033419379 1269082266 /nfs/dbraw/zinc/08/22/66/1269082266.db2.gz JDBHNNZRWIAIDL-YLJYHZDGSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415465 1269084739 /nfs/dbraw/zinc/08/47/39/1269084739.db2.gz ISNCUALIELXFPH-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415465 1269084743 /nfs/dbraw/zinc/08/47/43/1269084743.db2.gz ISNCUALIELXFPH-QFBILLFUSA-N 1 3 341.515 2.778 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415866 1269087126 /nfs/dbraw/zinc/08/71/26/1269087126.db2.gz MBHMJWWCKNDEGP-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001033415866 1269087135 /nfs/dbraw/zinc/08/71/35/1269087135.db2.gz MBHMJWWCKNDEGP-MJGOQNOKSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001033417066 1269087651 /nfs/dbraw/zinc/08/76/51/1269087651.db2.gz UYHQJDMIHOOGFG-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001033417066 1269087656 /nfs/dbraw/zinc/08/76/56/1269087656.db2.gz UYHQJDMIHOOGFG-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO CC(C)=CCN1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422194 1269127470 /nfs/dbraw/zinc/12/74/70/1269127470.db2.gz IDUVCUDIXMDYGG-HXUWFJFHSA-N 1 3 343.515 2.903 20 0 EFADHO CN(C[C@@H]1CCN1CCCC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001085927798 1269128360 /nfs/dbraw/zinc/12/83/60/1269128360.db2.gz HGROIKXHAAVJKI-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928208 1269129568 /nfs/dbraw/zinc/12/95/68/1269129568.db2.gz QCWNCHYUBLQTRL-ZWKOTPCHSA-N 1 3 341.499 2.685 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085928206 1269130285 /nfs/dbraw/zinc/13/02/85/1269130285.db2.gz QCWNCHYUBLQTRL-QZTJIDSGSA-N 1 3 341.499 2.685 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001033425803 1269132616 /nfs/dbraw/zinc/13/26/16/1269132616.db2.gz ZTCKGKUHQHDGGY-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001033425803 1269132621 /nfs/dbraw/zinc/13/26/21/1269132621.db2.gz ZTCKGKUHQHDGGY-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)N(C)C ZINC000700583929 1269311465 /nfs/dbraw/zinc/31/14/65/1269311465.db2.gz MRTNCUCFYJNMLO-HNSVSWJLSA-N 1 3 325.497 2.847 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCN2C)CC1 ZINC001005177912 1269338502 /nfs/dbraw/zinc/33/85/02/1269338502.db2.gz FUVUGGVWBSUVBD-FQEVSTJZSA-N 1 3 343.515 2.766 20 0 EFADHO CN(C)c1ccncc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001033586174 1269499255 /nfs/dbraw/zinc/49/92/55/1269499255.db2.gz RUDWESVFGRARLH-HNNXBMFYSA-N 1 3 344.484 2.556 20 0 EFADHO CN(C)c1ccncc1C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001033586174 1269499266 /nfs/dbraw/zinc/49/92/66/1269499266.db2.gz RUDWESVFGRARLH-HNNXBMFYSA-N 1 3 344.484 2.556 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033587492 1269502547 /nfs/dbraw/zinc/50/25/47/1269502547.db2.gz FXYUCEGJVDRMQE-OAHLLOKOSA-N 1 3 332.492 2.656 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033587492 1269502553 /nfs/dbraw/zinc/50/25/53/1269502553.db2.gz FXYUCEGJVDRMQE-OAHLLOKOSA-N 1 3 332.492 2.656 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001033588103 1269504233 /nfs/dbraw/zinc/50/42/33/1269504233.db2.gz JPRWOLVESARTLP-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001033588103 1269504236 /nfs/dbraw/zinc/50/42/36/1269504236.db2.gz JPRWOLVESARTLP-INIZCTEOSA-N 1 3 332.492 2.800 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033595114 1269519050 /nfs/dbraw/zinc/51/90/50/1269519050.db2.gz QYWGCOFQHXWNLK-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033595114 1269519054 /nfs/dbraw/zinc/51/90/54/1269519054.db2.gz QYWGCOFQHXWNLK-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)=CCN1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033681091 1269783257 /nfs/dbraw/zinc/78/32/57/1269783257.db2.gz QGZSZXFYSNYKRA-SFHVURJKSA-N 1 3 329.488 2.861 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682938 1269789548 /nfs/dbraw/zinc/78/95/48/1269789548.db2.gz DUFKVDLLLILZJR-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682938 1269789556 /nfs/dbraw/zinc/78/95/56/1269789556.db2.gz DUFKVDLLLILZJR-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687152 1269805392 /nfs/dbraw/zinc/80/53/92/1269805392.db2.gz YVSNEOFHDHKVNN-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033687152 1269805401 /nfs/dbraw/zinc/80/54/01/1269805401.db2.gz YVSNEOFHDHKVNN-SJLPKXTDSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086084817 1269858890 /nfs/dbraw/zinc/85/88/90/1269858890.db2.gz HRGRXXPYJCDBMM-CEXWTWQISA-N 1 3 329.488 2.544 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086102089 1269972158 /nfs/dbraw/zinc/97/21/58/1269972158.db2.gz IRTCWFCWIYHZFF-CEXWTWQISA-N 1 3 335.536 2.926 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001086102183 1269972339 /nfs/dbraw/zinc/97/23/39/1269972339.db2.gz MCWGSXPCBINFAY-CEXWTWQISA-N 1 3 329.488 2.545 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086101912 1269973069 /nfs/dbraw/zinc/97/30/69/1269973069.db2.gz AHORRUWPRMCFHJ-NZSAHSFTSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)[C@H]1C ZINC001410877542 1270029703 /nfs/dbraw/zinc/02/97/03/1270029703.db2.gz ZBDDLNUCHAQDMF-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001410946452 1270352706 /nfs/dbraw/zinc/35/27/06/1270352706.db2.gz BORZRPTUIVYIFP-FUHWJXTLSA-N 1 3 335.467 2.542 20 0 EFADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198228 1270433751 /nfs/dbraw/zinc/43/37/51/1270433751.db2.gz NSHOPFDJACKMPX-JHNDHUHGSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001086198228 1270433757 /nfs/dbraw/zinc/43/37/57/1270433757.db2.gz NSHOPFDJACKMPX-JHNDHUHGSA-N 1 3 349.906 2.522 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)N(C)C)cc1 ZINC000743330819 1270538574 /nfs/dbraw/zinc/53/85/74/1270538574.db2.gz VQGMSPWBHXUSGL-IEBWSBKVSA-N 1 3 346.519 2.771 20 0 EFADHO CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001033941319 1270705543 /nfs/dbraw/zinc/70/55/43/1270705543.db2.gz PNGMNVMZPDQRRP-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001034040315 1270917109 /nfs/dbraw/zinc/91/71/09/1270917109.db2.gz RSIURLTXURFRQR-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccc(CN2CC[C@@H](N(CC)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001034040315 1270917112 /nfs/dbraw/zinc/91/71/12/1270917112.db2.gz RSIURLTXURFRQR-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001086364978 1271168951 /nfs/dbraw/zinc/16/89/51/1271168951.db2.gz ZUSVBKMREOWVRJ-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086382776 1271226559 /nfs/dbraw/zinc/22/65/59/1271226559.db2.gz XMXPVEDGWUVKCJ-ULQDDVLXSA-N 1 3 335.517 2.607 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001409973326 1271268289 /nfs/dbraw/zinc/26/82/89/1271268289.db2.gz VVKMBNFHRZYEBL-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC001409973326 1271268298 /nfs/dbraw/zinc/26/82/98/1271268298.db2.gz VVKMBNFHRZYEBL-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)=CCN1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256880 1271461733 /nfs/dbraw/zinc/46/17/33/1271461733.db2.gz CZZJAHYREUFZJJ-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@H](F)CN1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034291607 1271574337 /nfs/dbraw/zinc/57/43/37/1271574337.db2.gz MKUSIASIUXBVKW-JKSUJKDBSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291607 1271574349 /nfs/dbraw/zinc/57/43/49/1271574349.db2.gz MKUSIASIUXBVKW-JKSUJKDBSA-N 1 3 332.423 2.667 20 0 EFADHO CC[C@H](F)C[N@H+]1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034291607 1271574351 /nfs/dbraw/zinc/57/43/51/1271574351.db2.gz MKUSIASIUXBVKW-JKSUJKDBSA-N 1 3 332.423 2.667 20 0 EFADHO O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331530 1271675457 /nfs/dbraw/zinc/67/54/57/1271675457.db2.gz SWZOBCNBVQJNOZ-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CCCC[N@@H+](CCC2CC2)C1)[C@H](C1CC1)N1CCCC1 ZINC001034331530 1271675463 /nfs/dbraw/zinc/67/54/63/1271675463.db2.gz SWZOBCNBVQJNOZ-MOPGFXCFSA-N 1 3 333.520 2.632 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCF)C1 ZINC001034480895 1272088115 /nfs/dbraw/zinc/08/81/15/1272088115.db2.gz OCYINOUPUQARNO-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCF)C1 ZINC001034480895 1272088124 /nfs/dbraw/zinc/08/81/24/1272088124.db2.gz OCYINOUPUQARNO-ROUUACIJSA-N 1 3 341.515 2.971 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC([NH2+]C/C=C\c3ccccc3)C2)CCC1 ZINC001411242567 1272114243 /nfs/dbraw/zinc/11/42/43/1272114243.db2.gz ZDOXAZWYNCBYKB-XFFZJAGNSA-N 1 3 341.499 2.763 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486880 1272138393 /nfs/dbraw/zinc/13/83/93/1272138393.db2.gz CQWOANYLUONCBL-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCCN(Cc3ccsc3)C2)C1 ZINC001034486880 1272138399 /nfs/dbraw/zinc/13/83/99/1272138399.db2.gz CQWOANYLUONCBL-DOTOQJQBSA-N 1 3 335.517 2.561 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC000119447920 1272186402 /nfs/dbraw/zinc/18/64/02/1272186402.db2.gz TWNCALYJYHSVEB-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C/C=C/c3ccccc3)C2)C1 ZINC001034524760 1272192084 /nfs/dbraw/zinc/19/20/84/1272192084.db2.gz HRAVZQIKJVKVIX-HHNWVZKSSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCCN(C/C=C/c3ccccc3)C2)C1 ZINC001034524760 1272192090 /nfs/dbraw/zinc/19/20/90/1272192090.db2.gz HRAVZQIKJVKVIX-HHNWVZKSSA-N 1 3 341.499 2.622 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525853 1272193368 /nfs/dbraw/zinc/19/33/68/1272193368.db2.gz QOAYKLGDWHGIPV-IEBWSBKVSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001034525853 1272193372 /nfs/dbraw/zinc/19/33/72/1272193372.db2.gz QOAYKLGDWHGIPV-IEBWSBKVSA-N 1 3 347.478 2.557 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536744 1272237448 /nfs/dbraw/zinc/23/74/48/1272237448.db2.gz GKFJERHCMPXYNS-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001034536744 1272237454 /nfs/dbraw/zinc/23/74/54/1272237454.db2.gz GKFJERHCMPXYNS-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)c1 ZINC001034538680 1272243705 /nfs/dbraw/zinc/24/37/05/1272243705.db2.gz UYKAJGBJGPMCRR-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CCCC[N@@H+](CCCF)C2)c1 ZINC001034538680 1272243709 /nfs/dbraw/zinc/24/37/09/1272243709.db2.gz UYKAJGBJGPMCRR-SFHVURJKSA-N 1 3 335.467 2.692 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168809942 1272416171 /nfs/dbraw/zinc/41/61/71/1272416171.db2.gz YQOHKBDPZCRJRX-ZBFHGGJFSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831252 1272432254 /nfs/dbraw/zinc/43/22/54/1272432254.db2.gz URYYKLLJJGZJEM-UGUYLWEFSA-N 1 3 325.497 2.847 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](N(C)C)C2)CN1C(=O)OC(C)(C)C ZINC001168831252 1272432259 /nfs/dbraw/zinc/43/22/59/1272432259.db2.gz URYYKLLJJGZJEM-UGUYLWEFSA-N 1 3 325.497 2.847 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C)cc1Cl ZINC001168755330 1272454521 /nfs/dbraw/zinc/45/45/21/1272454521.db2.gz MXUDHXYBFKFFMM-UHFFFAOYSA-N 1 3 325.884 2.586 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)C2)CC1 ZINC001034659828 1272465471 /nfs/dbraw/zinc/46/54/71/1272465471.db2.gz ZXPIYKXDFWYJRA-CPLYBDICSA-N 1 3 335.536 2.924 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001168756411 1272620520 /nfs/dbraw/zinc/62/05/20/1272620520.db2.gz YAWHBOUCWFQHGZ-KRWDZBQOSA-N 1 3 337.895 2.765 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097555 1272652251 /nfs/dbraw/zinc/65/22/51/1272652251.db2.gz BMOKDAFJZPIEKK-CADBVGFASA-N 1 3 327.472 2.506 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097555 1272652256 /nfs/dbraw/zinc/65/22/56/1272652256.db2.gz BMOKDAFJZPIEKK-CADBVGFASA-N 1 3 327.472 2.506 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131798 1272690945 /nfs/dbraw/zinc/69/09/45/1272690945.db2.gz ZMZZOWGQHFKIAE-NQNKBUKLSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131798 1272690952 /nfs/dbraw/zinc/69/09/52/1272690952.db2.gz ZMZZOWGQHFKIAE-NQNKBUKLSA-N 1 3 335.492 2.553 20 0 EFADHO COc1ccccc1C1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3C)CCOCC1 ZINC001169109366 1272702279 /nfs/dbraw/zinc/70/22/79/1272702279.db2.gz BFRFCHFCLANIOO-OSYLJGHBSA-N 1 3 330.472 2.916 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(c3noc(C(F)(F)F)n3)CC1)C2 ZINC001169142790 1272704784 /nfs/dbraw/zinc/70/47/84/1272704784.db2.gz VXHAEMILRQRUIY-CLLJXQQHSA-N 1 3 344.381 2.893 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169152839 1272712345 /nfs/dbraw/zinc/71/23/45/1272712345.db2.gz FRZJOYTZOHKCJU-NCOADZHNSA-N 1 3 330.472 2.901 20 0 EFADHO COc1cc2c(cc1OC)[C@@H](CN(C)[C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169152839 1272712357 /nfs/dbraw/zinc/71/23/57/1272712357.db2.gz FRZJOYTZOHKCJU-NCOADZHNSA-N 1 3 330.472 2.901 20 0 EFADHO CCOC(=O)c1coc(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001169155006 1272715907 /nfs/dbraw/zinc/71/59/07/1272715907.db2.gz VUTCWFKWHVBZCY-ZSHCYNCHSA-N 1 3 347.459 2.656 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153060 1272716062 /nfs/dbraw/zinc/71/60/62/1272716062.db2.gz GKONRMANULSLQN-YYAJDYIMSA-N 1 3 337.508 2.848 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001169153060 1272716068 /nfs/dbraw/zinc/71/60/68/1272716068.db2.gz GKONRMANULSLQN-YYAJDYIMSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC001034735688 1272762771 /nfs/dbraw/zinc/76/27/71/1272762771.db2.gz LYDDWQDZARFTEL-SNRMKQJTSA-N 1 3 347.478 2.827 20 0 EFADHO CC[NH+]1CCC(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001169254852 1272777586 /nfs/dbraw/zinc/77/75/86/1272777586.db2.gz JGOBEBGWQIFZIB-OAHLLOKOSA-N 1 3 325.497 2.707 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C)CC1 ZINC001034786097 1272962625 /nfs/dbraw/zinc/96/26/25/1272962625.db2.gz JAHICXUYYBVNTI-IYARVYRRSA-N 1 3 340.471 2.786 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001129334840 1272994761 /nfs/dbraw/zinc/99/47/61/1272994761.db2.gz OUDZBUKLEZIOEB-WBVHZDCISA-N 1 3 335.467 2.570 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H](C)c2cccc(F)c2)C1 ZINC001129334840 1272994770 /nfs/dbraw/zinc/99/47/70/1272994770.db2.gz OUDZBUKLEZIOEB-WBVHZDCISA-N 1 3 335.467 2.570 20 0 EFADHO CC(=O)N1CCC[C@H]([NH2+]CC2CCN(Cc3ccccc3F)CC2)C1 ZINC001169589328 1273021574 /nfs/dbraw/zinc/02/15/74/1273021574.db2.gz OVGVQZUGOZKPQK-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO C[NH+](C)CCC(C)(C)Nc1cccc2cc([C@@H]3CNCCO3)cn21 ZINC001169717977 1273119011 /nfs/dbraw/zinc/11/90/11/1273119011.db2.gz IGOQXRFKYQOEFS-KRWDZBQOSA-N 1 3 330.476 2.742 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741598 1273127981 /nfs/dbraw/zinc/12/79/81/1273127981.db2.gz AGWJCZRYGRSKCG-GBESFXJTSA-N 1 3 329.488 2.754 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741598 1273127984 /nfs/dbraw/zinc/12/79/84/1273127984.db2.gz AGWJCZRYGRSKCG-GBESFXJTSA-N 1 3 329.488 2.754 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741597 1273128146 /nfs/dbraw/zinc/12/81/46/1273128146.db2.gz AGWJCZRYGRSKCG-CEXWTWQISA-N 1 3 329.488 2.754 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169741597 1273128149 /nfs/dbraw/zinc/12/81/49/1273128149.db2.gz AGWJCZRYGRSKCG-CEXWTWQISA-N 1 3 329.488 2.754 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747165 1273131167 /nfs/dbraw/zinc/13/11/67/1273131167.db2.gz VPRMTVSRXLWYIF-OALUTQOASA-N 1 3 329.488 2.611 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](N[C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001169747165 1273131172 /nfs/dbraw/zinc/13/11/72/1273131172.db2.gz VPRMTVSRXLWYIF-OALUTQOASA-N 1 3 329.488 2.611 20 0 EFADHO O=C(c1ccccc1)N1CCC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC001169734615 1273139336 /nfs/dbraw/zinc/13/93/36/1273139336.db2.gz BSNHMDGUTYOSCB-LJQANCHMSA-N 1 3 341.499 2.898 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C1CCC1 ZINC001034957569 1273271024 /nfs/dbraw/zinc/27/10/24/1273271024.db2.gz BCJXRRBDKMXBPX-LJQANCHMSA-N 1 3 347.478 2.699 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)C1CC1 ZINC001034958233 1273273265 /nfs/dbraw/zinc/27/32/65/1273273265.db2.gz DYKAZSABGWALGK-MOPGFXCFSA-N 1 3 347.478 2.577 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CCC1 ZINC001034957898 1273273368 /nfs/dbraw/zinc/27/33/68/1273273368.db2.gz OKQHUZVHYKCOPO-GOSISDBHSA-N 1 3 349.906 2.905 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)C(C)(C)N2CCCCC2)C1 ZINC001034938278 1273277583 /nfs/dbraw/zinc/27/75/83/1273277583.db2.gz LRVAWUVXPNRQNE-DAWZGUTISA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c(C)c1 ZINC001034961862 1273313950 /nfs/dbraw/zinc/31/39/50/1273313950.db2.gz WQRPWIWZNGGLLY-UXHICEINSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1)C1CC1 ZINC001034962039 1273314804 /nfs/dbraw/zinc/31/48/04/1273314804.db2.gz ZOFRRNQMIRVSBC-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001034964577 1273317589 /nfs/dbraw/zinc/31/75/89/1273317589.db2.gz QXXNIQNNXKRVTR-MOPGFXCFSA-N 1 3 349.494 2.801 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC001129357463 1273371674 /nfs/dbraw/zinc/37/16/74/1273371674.db2.gz LWLGSJHYIPZUJL-UHFFFAOYSA-N 1 3 344.286 2.684 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]Cc2cccc3ccccc32)CCC1 ZINC001129358891 1273384759 /nfs/dbraw/zinc/38/47/59/1273384759.db2.gz XRVFYBGEVMXSRG-UHFFFAOYSA-N 1 3 325.456 2.530 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001035014219 1273388932 /nfs/dbraw/zinc/38/89/32/1273388932.db2.gz SPABDODEDNPMOL-ZHALLVOQSA-N 1 3 329.488 2.731 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC001035014602 1273389337 /nfs/dbraw/zinc/38/93/37/1273389337.db2.gz YQHSKDYDJUNCMI-YZGWKJHDSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001035014218 1273389528 /nfs/dbraw/zinc/38/95/28/1273389528.db2.gz SPABDODEDNPMOL-YQVWRLOYSA-N 1 3 329.488 2.731 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129357523 1273391286 /nfs/dbraw/zinc/39/12/86/1273391286.db2.gz NMGXPUCMRUXNET-UHFFFAOYSA-N 1 3 339.483 2.838 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C)c1ccccc1F ZINC001035020275 1273397312 /nfs/dbraw/zinc/39/73/12/1273397312.db2.gz RYASHGMLPWCGTE-FCEWJHQRSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1F ZINC000844188413 1278783810 /nfs/dbraw/zinc/78/38/10/1278783810.db2.gz TZIQMNQEAJANDY-GOSISDBHSA-N 1 3 327.403 2.540 20 0 EFADHO C[NH+](C)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2)cc1F ZINC000844188413 1278783816 /nfs/dbraw/zinc/78/38/16/1278783816.db2.gz TZIQMNQEAJANDY-GOSISDBHSA-N 1 3 327.403 2.540 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001035038467 1273423219 /nfs/dbraw/zinc/42/32/19/1273423219.db2.gz JCUVYHKAALNUHI-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1F ZINC000844188414 1278783457 /nfs/dbraw/zinc/78/34/57/1278783457.db2.gz TZIQMNQEAJANDY-SFHVURJKSA-N 1 3 327.403 2.540 20 0 EFADHO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1F ZINC000844188414 1278783462 /nfs/dbraw/zinc/78/34/62/1278783462.db2.gz TZIQMNQEAJANDY-SFHVURJKSA-N 1 3 327.403 2.540 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001035039433 1273426154 /nfs/dbraw/zinc/42/61/54/1273426154.db2.gz BKGCZNCOJIXOFU-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001035061958 1273447407 /nfs/dbraw/zinc/44/74/07/1273447407.db2.gz CBEAMIARPZLLQC-QGZVFWFLSA-N 1 3 330.476 2.503 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001035047644 1273463729 /nfs/dbraw/zinc/46/37/29/1273463729.db2.gz HOEGCQHROBAGFM-GOSISDBHSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001035047806 1273464306 /nfs/dbraw/zinc/46/43/06/1273464306.db2.gz HLLUXYKFJJFVEC-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001035047806 1273464310 /nfs/dbraw/zinc/46/43/10/1273464310.db2.gz HLLUXYKFJJFVEC-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001035050116 1273466679 /nfs/dbraw/zinc/46/66/79/1273466679.db2.gz UYVQUPNXIZJBIW-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)(C)C1)C2 ZINC001108764408 1273467439 /nfs/dbraw/zinc/46/74/39/1273467439.db2.gz LBVCZQBZKFINNG-KSZLIROESA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c1 ZINC001035050729 1273468222 /nfs/dbraw/zinc/46/82/22/1273468222.db2.gz HQQPBHQOIBPNAD-PKOBYXMFSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001035052273 1273469282 /nfs/dbraw/zinc/46/92/82/1273469282.db2.gz VQTDTDZLNITDDB-RTBURBONSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001035052033 1273469561 /nfs/dbraw/zinc/46/95/61/1273469561.db2.gz CNZOPRHQDJYRSE-MSOLQXFVSA-N 1 3 335.467 2.577 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C)N(C)C ZINC001035052837 1273471183 /nfs/dbraw/zinc/47/11/83/1273471183.db2.gz UKKOGCPPCGMGFP-MSOLQXFVSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001035052823 1273471530 /nfs/dbraw/zinc/47/15/30/1273471530.db2.gz TUHJKVMQTNLPJW-QUCCMNQESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108783701 1273480857 /nfs/dbraw/zinc/48/08/57/1273480857.db2.gz AZWGPVFISOVHLU-FHWLQOOXSA-N 1 3 333.520 2.654 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001035102636 1273517884 /nfs/dbraw/zinc/51/78/84/1273517884.db2.gz PRQGEJVOKVKLIG-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001035102636 1273517888 /nfs/dbraw/zinc/51/78/88/1273517888.db2.gz PRQGEJVOKVKLIG-SJLPKXTDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC001035125519 1273589368 /nfs/dbraw/zinc/58/93/68/1273589368.db2.gz IVONCVNBNUDYGT-IEBWSBKVSA-N 1 3 329.488 2.732 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001035131402 1273599437 /nfs/dbraw/zinc/59/94/37/1273599437.db2.gz JJEZHDCUVUSWKS-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001035165929 1273633902 /nfs/dbraw/zinc/63/39/02/1273633902.db2.gz BCKDPIGYBWPKOL-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001035165929 1273633911 /nfs/dbraw/zinc/63/39/11/1273633911.db2.gz BCKDPIGYBWPKOL-SFHVURJKSA-N 1 3 347.547 2.831 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(C)c(OC)c1 ZINC001156529467 1273679220 /nfs/dbraw/zinc/67/92/20/1273679220.db2.gz AYHSDWWZAATLBJ-QGZVFWFLSA-N 1 3 349.519 2.672 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)c(OC)c1 ZINC001156529467 1273679229 /nfs/dbraw/zinc/67/92/29/1273679229.db2.gz AYHSDWWZAATLBJ-QGZVFWFLSA-N 1 3 349.519 2.672 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1)N(C)C ZINC001035197827 1273761596 /nfs/dbraw/zinc/76/15/96/1273761596.db2.gz VSYAQTYSOPDWJX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1)N(C)C ZINC001035197827 1273761599 /nfs/dbraw/zinc/76/15/99/1273761599.db2.gz VSYAQTYSOPDWJX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193550 1273814370 /nfs/dbraw/zinc/81/43/70/1273814370.db2.gz FZIQBPBZRQSKCR-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035193550 1273814382 /nfs/dbraw/zinc/81/43/82/1273814382.db2.gz FZIQBPBZRQSKCR-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194032 1273814434 /nfs/dbraw/zinc/81/44/34/1273814434.db2.gz SVGNUTXNFGHQHO-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)N(C)C)CC2 ZINC001035194032 1273814448 /nfs/dbraw/zinc/81/44/48/1273814448.db2.gz SVGNUTXNFGHQHO-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193572 1273815412 /nfs/dbraw/zinc/81/54/12/1273815412.db2.gz GVSSBZNBQJHBPH-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035193572 1273815423 /nfs/dbraw/zinc/81/54/23/1273815423.db2.gz GVSSBZNBQJHBPH-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@H+](CC4CCCC4)C3)CC2)CCC1 ZINC001035193460 1273815668 /nfs/dbraw/zinc/81/56/68/1273815668.db2.gz DPJAWEURYCBOJY-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCC3(CC[N@@H+](CC4CCCC4)C3)CC2)CCC1 ZINC001035193460 1273815675 /nfs/dbraw/zinc/81/56/75/1273815675.db2.gz DPJAWEURYCBOJY-UHFFFAOYSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194318 1273816837 /nfs/dbraw/zinc/81/68/37/1273816837.db2.gz ZWYFUAMKUUIQFE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001035194318 1273816841 /nfs/dbraw/zinc/81/68/41/1273816841.db2.gz ZWYFUAMKUUIQFE-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194711 1273818511 /nfs/dbraw/zinc/81/85/11/1273818511.db2.gz ZBXMBBCFVSCVCD-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035194711 1273818523 /nfs/dbraw/zinc/81/85/23/1273818523.db2.gz ZBXMBBCFVSCVCD-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224437 1273839616 /nfs/dbraw/zinc/83/96/16/1273839616.db2.gz LBRJNZQHQIHKEW-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CC[C@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2 ZINC001035224437 1273839627 /nfs/dbraw/zinc/83/96/27/1273839627.db2.gz LBRJNZQHQIHKEW-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035226249 1273844059 /nfs/dbraw/zinc/84/40/59/1273844059.db2.gz FOKNQHGPNBOYFB-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)CC2 ZINC001035226249 1273844068 /nfs/dbraw/zinc/84/40/68/1273844068.db2.gz FOKNQHGPNBOYFB-LJQANCHMSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001035226663 1273847586 /nfs/dbraw/zinc/84/75/86/1273847586.db2.gz JHPYKOZFTCFJPK-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001035226663 1273847593 /nfs/dbraw/zinc/84/75/93/1273847593.db2.gz JHPYKOZFTCFJPK-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CN2CCC[C@@H]2C)CC3)C1 ZINC001035226681 1273847700 /nfs/dbraw/zinc/84/77/00/1273847700.db2.gz KAASUOYXHXIFNL-XBMUEBEBSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC3(C2)CCN(C(=O)CN2CCC[C@@H]2C)CC3)C1 ZINC001035226681 1273847710 /nfs/dbraw/zinc/84/77/10/1273847710.db2.gz KAASUOYXHXIFNL-XBMUEBEBSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(CC[N@H+](CC4CCC4)C3)CC2)C1 ZINC001035227689 1273848280 /nfs/dbraw/zinc/84/82/80/1273848280.db2.gz WATVQHDLRMJLGP-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC3(CC[N@@H+](CC4CCC4)C3)CC2)C1 ZINC001035227689 1273848292 /nfs/dbraw/zinc/84/82/92/1273848292.db2.gz WATVQHDLRMJLGP-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227673 1273848828 /nfs/dbraw/zinc/84/88/28/1273848828.db2.gz VIOGTGCFZSSGFH-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001035227673 1273848842 /nfs/dbraw/zinc/84/88/42/1273848842.db2.gz VIOGTGCFZSSGFH-MSOLQXFVSA-N 1 3 335.536 2.689 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001035231072 1273938542 /nfs/dbraw/zinc/93/85/42/1273938542.db2.gz HWHBDBLGDMYIGN-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001035231072 1273938547 /nfs/dbraw/zinc/93/85/47/1273938547.db2.gz HWHBDBLGDMYIGN-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC001035255051 1273985123 /nfs/dbraw/zinc/98/51/23/1273985123.db2.gz YZCKANFAWBUGDB-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(CC[N@@H+](CC3CCCCC3)C2)CC1 ZINC001035255051 1273985128 /nfs/dbraw/zinc/98/51/28/1273985128.db2.gz YZCKANFAWBUGDB-UHFFFAOYSA-N 1 3 347.547 2.977 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254957 1273985753 /nfs/dbraw/zinc/98/57/53/1273985753.db2.gz VYHATIXCEQFMTD-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035254957 1273985759 /nfs/dbraw/zinc/98/57/59/1273985759.db2.gz VYHATIXCEQFMTD-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCCCF ZINC001109272436 1274077700 /nfs/dbraw/zinc/07/77/00/1274077700.db2.gz JHSUFLUAWAUTES-VSZNYVQBSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109272436 1274077711 /nfs/dbraw/zinc/07/77/11/1274077711.db2.gz JHSUFLUAWAUTES-VSZNYVQBSA-N 1 3 339.499 2.721 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359458 1274190075 /nfs/dbraw/zinc/19/00/75/1274190075.db2.gz MMDQKWZYAWQYDF-JROFNHFXSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CN(CC)CC)C2 ZINC001109359458 1274190076 /nfs/dbraw/zinc/19/00/76/1274190076.db2.gz MMDQKWZYAWQYDF-JROFNHFXSA-N 1 3 339.499 2.744 20 0 EFADHO CC/C=C\CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371783 1274200811 /nfs/dbraw/zinc/20/08/11/1274200811.db2.gz UPSCBVULYXLTQY-UGDQESQDSA-N 1 3 333.520 2.939 20 0 EFADHO CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCN1CCC)C2 ZINC001109371783 1274200815 /nfs/dbraw/zinc/20/08/15/1274200815.db2.gz UPSCBVULYXLTQY-UGDQESQDSA-N 1 3 333.520 2.939 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035717482 1274401421 /nfs/dbraw/zinc/40/14/21/1274401421.db2.gz KDYSNARPZAOYMR-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035717482 1274401425 /nfs/dbraw/zinc/40/14/25/1274401425.db2.gz KDYSNARPZAOYMR-GOSISDBHSA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035717484 1274401922 /nfs/dbraw/zinc/40/19/22/1274401922.db2.gz KDYSNARPZAOYMR-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CN(CC=C(C)C)C2)CC1 ZINC001035717484 1274401926 /nfs/dbraw/zinc/40/19/26/1274401926.db2.gz KDYSNARPZAOYMR-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001035722604 1274410079 /nfs/dbraw/zinc/41/00/79/1274410079.db2.gz WQLPFEUSENBLSO-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CC(C)C3)C2)CC1)N(C)C ZINC001035726581 1274414449 /nfs/dbraw/zinc/41/44/49/1274414449.db2.gz DNHYNGZZBFFWQD-ABHNRTSZSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C13CCC[NH+](CCC1)C3)CC2 ZINC001035729714 1274417921 /nfs/dbraw/zinc/41/79/21/1274417921.db2.gz HYTIBWYPYUTDEK-UHFFFAOYSA-N 1 3 345.531 2.753 20 0 EFADHO CN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001035732609 1274422173 /nfs/dbraw/zinc/42/21/73/1274422173.db2.gz GXFYOIJWKWIPFA-IBGZPJMESA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035760768 1274446633 /nfs/dbraw/zinc/44/66/33/1274446633.db2.gz NYYMELXCLQIOPX-UHFFFAOYSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1)N(C)C ZINC001035787011 1274481423 /nfs/dbraw/zinc/48/14/23/1274481423.db2.gz ILUPVJGUJNBFIJ-QGZVFWFLSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)N(C)C ZINC001035787566 1274482630 /nfs/dbraw/zinc/48/26/30/1274482630.db2.gz QFUQMRBBJGPIKX-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CC4=CCCCC4)C3)CC2)C1 ZINC001035795144 1274492968 /nfs/dbraw/zinc/49/29/68/1274492968.db2.gz QKTSHOUYERCUOL-SFHVURJKSA-N 1 3 345.531 2.753 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1)N(C)C ZINC001035796836 1274494475 /nfs/dbraw/zinc/49/44/75/1274494475.db2.gz OTXYMFYBCSAJND-SFHVURJKSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1 ZINC001035797221 1274495638 /nfs/dbraw/zinc/49/56/38/1274495638.db2.gz FTEIWRLZYHTPHA-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC001035797282 1274496289 /nfs/dbraw/zinc/49/62/89/1274496289.db2.gz HTFQMSUQWFLDDZ-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC001035798869 1274496772 /nfs/dbraw/zinc/49/67/72/1274496772.db2.gz QVNHTGYSIHBYBO-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)C1 ZINC001035773122 1274498514 /nfs/dbraw/zinc/49/85/14/1274498514.db2.gz SAXXEVDAHVCUGW-IBGZPJMESA-N 1 3 347.547 2.999 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CCC3(CN(CC=C(C)C)C3)CC2)C1 ZINC001035773122 1274498517 /nfs/dbraw/zinc/49/85/17/1274498517.db2.gz SAXXEVDAHVCUGW-IBGZPJMESA-N 1 3 347.547 2.999 20 0 EFADHO CCc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+](C)C)C3)c1 ZINC001109652698 1274521756 /nfs/dbraw/zinc/52/17/56/1274521756.db2.gz FMQSUZOVMSXMCY-AABGKKOBSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)c(C)s1 ZINC001109672339 1274544787 /nfs/dbraw/zinc/54/47/87/1274544787.db2.gz CDHNXEXJBXZFEU-IKGGRYGDSA-N 1 3 335.517 2.538 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC001035850818 1274557888 /nfs/dbraw/zinc/55/78/88/1274557888.db2.gz FSPNZWFUOZOUMF-GOSISDBHSA-N 1 3 341.499 2.768 20 0 EFADHO C[C@@H](C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1)N1[C@H](C)CC[C@H]1C ZINC000780655236 1274574545 /nfs/dbraw/zinc/57/45/45/1274574545.db2.gz RWLHNNFVTPVAHM-ZACQAIPSSA-N 1 3 347.503 2.851 20 0 EFADHO C[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)[NH+]1CCCCC1 ZINC000746148759 1274599849 /nfs/dbraw/zinc/59/98/49/1274599849.db2.gz ZSSGUXDRGIWVIB-MRXNPFEDSA-N 1 3 338.455 2.851 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035858990 1274611125 /nfs/dbraw/zinc/61/11/25/1274611125.db2.gz PSKBIVBZUUZMFP-QZTJIDSGSA-N 1 3 333.520 2.750 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001109932925 1274851880 /nfs/dbraw/zinc/85/18/80/1274851880.db2.gz ZBKFNRBYLMHLRY-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)c(C)c1 ZINC001109932925 1274851888 /nfs/dbraw/zinc/85/18/88/1274851888.db2.gz ZBKFNRBYLMHLRY-AABGKKOBSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)cc1 ZINC001110005784 1274974623 /nfs/dbraw/zinc/97/46/23/1274974623.db2.gz CQPPJTUXIMOCOJ-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001036052841 1274976172 /nfs/dbraw/zinc/97/61/72/1274976172.db2.gz CDDAVRPFDMACBN-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC001036055936 1274982131 /nfs/dbraw/zinc/98/21/31/1274982131.db2.gz RJTKXFQMXLHZKC-WBVHZDCISA-N 1 3 349.544 2.602 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110015018 1274988155 /nfs/dbraw/zinc/98/81/55/1274988155.db2.gz TXRSCBWUXBJQJY-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C ZINC001110015018 1274988162 /nfs/dbraw/zinc/98/81/62/1274988162.db2.gz TXRSCBWUXBJQJY-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cs1 ZINC001036060765 1274988091 /nfs/dbraw/zinc/98/80/91/1274988091.db2.gz CFNLWTLLCDNKRV-PBHICJAKSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cs1 ZINC001036060767 1274988424 /nfs/dbraw/zinc/98/84/24/1274988424.db2.gz CFNLWTLLCDNKRV-WMLDXEAASA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001036066740 1275021856 /nfs/dbraw/zinc/02/18/56/1275021856.db2.gz RTDLDZKEBQGTIN-APWZRJJASA-N 1 3 333.520 2.798 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccccc2)C1 ZINC001112548779 1275129172 /nfs/dbraw/zinc/12/91/72/1275129172.db2.gz RDTNRVACAFMTBT-FPOVZHCZSA-N 1 3 343.515 2.747 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001036193176 1275203512 /nfs/dbraw/zinc/20/35/12/1275203512.db2.gz LLZANVOREZEUEQ-APWZRJJASA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001036197177 1275209613 /nfs/dbraw/zinc/20/96/13/1275209613.db2.gz WISWJNWTXDFRHV-IEBWSBKVSA-N 1 3 343.515 2.745 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001036206180 1275224437 /nfs/dbraw/zinc/22/44/37/1275224437.db2.gz PNZNUCLCDJGECS-DNVCBOLYSA-N 1 3 340.471 2.541 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)CC1 ZINC001036225077 1275253128 /nfs/dbraw/zinc/25/31/28/1275253128.db2.gz MMNTUFKYSJVVCA-WMZOPIPTSA-N 1 3 349.544 2.807 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)[C@H](C)C2)CC1 ZINC001036226521 1275255322 /nfs/dbraw/zinc/25/53/22/1275255322.db2.gz TXJSWARTFBVMQU-MJGOQNOKSA-N 1 3 349.563 2.981 20 0 EFADHO CC(C)[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001036472966 1275718296 /nfs/dbraw/zinc/71/82/96/1275718296.db2.gz JXMCYOVSPWALQK-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036473917 1275720308 /nfs/dbraw/zinc/72/03/08/1275720308.db2.gz MOJCDMXRHCEZEI-AEFFLSMTSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036451254 1275734873 /nfs/dbraw/zinc/73/48/73/1275734873.db2.gz SACQEYNGZJHCBA-HOCLYGCPSA-N 1 3 344.434 2.508 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001086558874 1275965859 /nfs/dbraw/zinc/96/58/59/1275965859.db2.gz YFCWQKQNHIPIOL-ULQDDVLXSA-N 1 3 335.517 2.607 20 0 EFADHO C[C@H](c1ccc(F)cc1F)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000788482165 1276193974 /nfs/dbraw/zinc/19/39/74/1276193974.db2.gz IWVIQTHLLCDYKA-OAHLLOKOSA-N 1 3 337.458 2.985 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC001135975755 1276274622 /nfs/dbraw/zinc/27/46/22/1276274622.db2.gz BWXXBGXBLZVYGR-HOTGVXAUSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001135976533 1276274829 /nfs/dbraw/zinc/27/48/29/1276274829.db2.gz KVGNQFKRPYACOL-YWBNETDUSA-N 1 3 331.504 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135976685 1276274982 /nfs/dbraw/zinc/27/49/82/1276274982.db2.gz LTSNRALODGVHKD-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135977560 1276275420 /nfs/dbraw/zinc/27/54/20/1276275420.db2.gz VPBPEUAEXUUNLE-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC001135977735 1276276094 /nfs/dbraw/zinc/27/60/94/1276276094.db2.gz YIFVVEPAEMKOJY-IRXDYDNUSA-N 1 3 349.519 2.548 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001135995605 1276285578 /nfs/dbraw/zinc/28/55/78/1276285578.db2.gz IJQSHOJYBOLJRM-UDVMBWJESA-N 1 3 338.323 2.910 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)NC/C(Cl)=C/Cl ZINC001135995605 1276285581 /nfs/dbraw/zinc/28/55/81/1276285581.db2.gz IJQSHOJYBOLJRM-UDVMBWJESA-N 1 3 338.323 2.910 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CCC4CC4)C[C@H]3CC2)CC1 ZINC000946831176 1276330983 /nfs/dbraw/zinc/33/09/83/1276330983.db2.gz LTDYNDOPOQXACH-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3C[N@H+](CCC4CC4)C[C@H]3CC2)CC1 ZINC000946831176 1276330986 /nfs/dbraw/zinc/33/09/86/1276330986.db2.gz LTDYNDOPOQXACH-BGYRXZFFSA-N 1 3 347.547 2.689 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nc[nH]c1C ZINC001136031130 1276338868 /nfs/dbraw/zinc/33/88/68/1276338868.db2.gz GEONYFFVIIXFNA-CABCVRRESA-N 1 3 342.487 2.896 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001136031330 1276340089 /nfs/dbraw/zinc/34/00/89/1276340089.db2.gz IXLCPIJXWWWEME-CVEARBPZSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001136031821 1276340707 /nfs/dbraw/zinc/34/07/07/1276340707.db2.gz QWZKJFIEGPFNPL-STQMWFEESA-N 1 3 348.878 2.987 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001136032268 1276341633 /nfs/dbraw/zinc/34/16/33/1276341633.db2.gz YEDLDUOZNUSBEU-UONOGXRCSA-N 1 3 346.450 2.781 20 0 EFADHO N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000817902631 1276366942 /nfs/dbraw/zinc/36/69/42/1276366942.db2.gz VTOWXOLCLNOHOI-HSALFYBXSA-N 1 3 326.440 2.768 20 0 EFADHO C[C@H](NCc1ccc(CC[NH3+])cc1)c1cccc(N2CCOC2=O)c1 ZINC000817950492 1276396223 /nfs/dbraw/zinc/39/62/23/1276396223.db2.gz YRIUWKIHGCSZCY-HNNXBMFYSA-N 1 3 339.439 2.995 20 0 EFADHO C[C@H](CC(=O)Nc1cccnc1Cl)N[C@@H](C[NH3+])C1CCCCC1 ZINC000817959500 1276399616 /nfs/dbraw/zinc/39/96/16/1276399616.db2.gz SCUPVZQPFDYSLQ-DOMZBBRYSA-N 1 3 338.883 2.949 20 0 EFADHO C[C@H](N[C@H]1CC12CC[NH2+]CC2)c1cc(Br)ncc1F ZINC000817976983 1276416825 /nfs/dbraw/zinc/41/68/25/1276416825.db2.gz YKZVVLMCECLWOO-CABZTGNLSA-N 1 3 328.229 2.776 20 0 EFADHO C[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc(Br)cs1 ZINC000817987769 1276426615 /nfs/dbraw/zinc/42/66/15/1276426615.db2.gz WVOONMNMWRHHMV-ZRUFSTJUSA-N 1 3 330.295 2.944 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086820063 1276503532 /nfs/dbraw/zinc/50/35/32/1276503532.db2.gz OBQSGGLWFGDSJD-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO CCOc1ccc(C(=O)Nc2ccc(N[C@@H](N)CCC[NH3+])cc2)cc1 ZINC001170900667 1276507957 /nfs/dbraw/zinc/50/79/57/1276507957.db2.gz NSVYJTBVSQZKSD-GOSISDBHSA-N 1 3 342.443 2.773 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH3+])c1 ZINC000818610214 1276545968 /nfs/dbraw/zinc/54/59/68/1276545968.db2.gz BTDSGWBLVZKSTI-KRWDZBQOSA-N 1 3 337.467 2.882 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000818959055 1276559378 /nfs/dbraw/zinc/55/93/78/1276559378.db2.gz BHBAEZGPXGZVHN-MRXNPFEDSA-N 1 3 333.476 2.561 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000818959055 1276559383 /nfs/dbraw/zinc/55/93/83/1276559383.db2.gz BHBAEZGPXGZVHN-MRXNPFEDSA-N 1 3 333.476 2.561 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@H](O)c1ccc(F)cc1 ZINC000818984607 1276563357 /nfs/dbraw/zinc/56/33/57/1276563357.db2.gz JCFWDMFPZBSDSR-SFHVURJKSA-N 1 3 332.419 2.589 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccc(F)cc1 ZINC000818984606 1276563851 /nfs/dbraw/zinc/56/38/51/1276563851.db2.gz JCFWDMFPZBSDSR-GOSISDBHSA-N 1 3 332.419 2.589 20 0 EFADHO C[NH+](C)CCOc1ccccc1CNC[C@@H](O)c1ccccc1F ZINC000818984354 1276563902 /nfs/dbraw/zinc/56/39/02/1276563902.db2.gz FMMWOFGMWKKFMU-GOSISDBHSA-N 1 3 332.419 2.589 20 0 EFADHO C[C@@H](CNCCC(=O)Nc1ccc(N(C)C)cc1)C[NH+]1CCCCC1 ZINC000818969020 1276573778 /nfs/dbraw/zinc/57/37/78/1276573778.db2.gz JCCIXEPSFKIXLV-KRWDZBQOSA-N 1 3 346.519 2.793 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC001005885172 1276598441 /nfs/dbraw/zinc/59/84/41/1276598441.db2.gz SSWVIHWWXWXERL-RDJZCZTQSA-N 1 3 349.544 2.901 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC001005885172 1276598446 /nfs/dbraw/zinc/59/84/46/1276598446.db2.gz SSWVIHWWXWXERL-RDJZCZTQSA-N 1 3 349.544 2.901 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819132592 1276623018 /nfs/dbraw/zinc/62/30/18/1276623018.db2.gz FSJLUZMPQKKYMO-ZENOOKHLSA-N 1 3 341.293 2.945 20 0 EFADHO C[C@H](CCNCCC(=O)Nc1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000819231644 1276700451 /nfs/dbraw/zinc/70/04/51/1276700451.db2.gz ZZCVJNSAVAXGJQ-QGZVFWFLSA-N 1 3 346.519 2.935 20 0 EFADHO C[NH+](C)C1(CC(=O)N2CCN(C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CCCC1 ZINC001113160453 1277133892 /nfs/dbraw/zinc/13/38/92/1277133892.db2.gz CWRIAQJWSLSRKJ-CEXWTWQISA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C)N1CC[C@H]1CNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000923174451 1277144711 /nfs/dbraw/zinc/14/47/11/1277144711.db2.gz ZEBVMSCUZRLGBB-WUJZJPHMSA-N 1 3 336.524 2.565 20 0 EFADHO Cc1nc(CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C)cs1 ZINC001174962278 1287269489 /nfs/dbraw/zinc/26/94/89/1287269489.db2.gz SJAMNPUJDXKCJN-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1cnc(CNCCCC[C@H](C)NC(=O)CCC[NH+](C)C)s1 ZINC001174962336 1287271239 /nfs/dbraw/zinc/27/12/39/1287271239.db2.gz SWKDYLWUKMOYGR-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000790126027 1277293552 /nfs/dbraw/zinc/29/35/52/1277293552.db2.gz BXNXIXYUXCNCSM-APWZRJJASA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@H]1C ZINC000790126027 1277293562 /nfs/dbraw/zinc/29/35/62/1277293562.db2.gz BXNXIXYUXCNCSM-APWZRJJASA-N 1 3 346.519 2.886 20 0 EFADHO CC(C)C[NH+]1CCC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001005988241 1277302741 /nfs/dbraw/zinc/30/27/41/1277302741.db2.gz TXVYWLQCZOFYBN-LJQANCHMSA-N 1 3 341.515 2.778 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1OC ZINC000820803337 1277314623 /nfs/dbraw/zinc/31/46/23/1277314623.db2.gz JVWZWWYERAYADA-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO COc1ccc(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1OC ZINC000820803337 1277314631 /nfs/dbraw/zinc/31/46/31/1277314631.db2.gz JVWZWWYERAYADA-ZNXRZULTSA-N 1 3 330.472 2.994 20 0 EFADHO CSc1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000820833746 1277342583 /nfs/dbraw/zinc/34/25/83/1277342583.db2.gz AQOMJVRLDAHORW-INIZCTEOSA-N 1 3 337.533 2.906 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001005996706 1277372484 /nfs/dbraw/zinc/37/24/84/1277372484.db2.gz MABCDHKQMLIMIF-SFHVURJKSA-N 1 3 343.515 2.902 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1c1ccccc1 ZINC001086590866 1277744629 /nfs/dbraw/zinc/74/46/29/1277744629.db2.gz DVCMHDCYTZOCDO-ZCNNSNEGSA-N 1 3 343.515 2.855 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1c1ccccc1 ZINC001086590866 1277744634 /nfs/dbraw/zinc/74/46/34/1277744634.db2.gz DVCMHDCYTZOCDO-ZCNNSNEGSA-N 1 3 343.515 2.855 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086592164 1277873731 /nfs/dbraw/zinc/87/37/31/1277873731.db2.gz YPXNNTALFBFUDX-HSALFYBXSA-N 1 3 343.515 2.568 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001086592164 1277873739 /nfs/dbraw/zinc/87/37/39/1277873739.db2.gz YPXNNTALFBFUDX-HSALFYBXSA-N 1 3 343.515 2.568 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091026092 1279351768 /nfs/dbraw/zinc/35/17/68/1279351768.db2.gz HRGRXXPYJCDBMM-ACBHZAAOSA-N 1 3 329.488 2.544 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCc2ccccc2)C1 ZINC001091026120 1279352032 /nfs/dbraw/zinc/35/20/32/1279352032.db2.gz IQEGLKRIGBMZTQ-SOAGJPPSSA-N 1 3 343.515 2.586 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2cccc(F)c2)C1 ZINC001091026109 1279352082 /nfs/dbraw/zinc/35/20/82/1279352082.db2.gz IGXQKDCVOFOWIJ-NKELODKYSA-N 1 3 347.478 2.683 20 0 EFADHO CN1CCC[C@]2(CC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145442 1287346880 /nfs/dbraw/zinc/34/68/80/1287346880.db2.gz UHAMRKGJPOBTBK-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@]2(CC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145442 1287346882 /nfs/dbraw/zinc/34/68/82/1287346882.db2.gz UHAMRKGJPOBTBK-FPOVZHCZSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145444 1287348017 /nfs/dbraw/zinc/34/80/17/1287348017.db2.gz UHAMRKGJPOBTBK-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@]2(CC[N@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000815145444 1287348023 /nfs/dbraw/zinc/34/80/23/1287348023.db2.gz UHAMRKGJPOBTBK-TZIWHRDSSA-N 1 3 341.499 2.595 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cccc(C)c2)C1 ZINC001091058345 1279473535 /nfs/dbraw/zinc/47/35/35/1279473535.db2.gz NLUZXOZYWMIGGS-MHJFOBGBSA-N 1 3 343.515 2.854 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001091059818 1279485409 /nfs/dbraw/zinc/48/54/09/1279485409.db2.gz ZVIKWDFCVVUEIO-VJFUWPCTSA-N 1 3 335.536 2.781 20 0 EFADHO CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001086613269 1279622730 /nfs/dbraw/zinc/62/27/30/1279622730.db2.gz KWJQIQVABBYIDF-YSIASYRMSA-N 1 3 343.515 2.855 20 0 EFADHO CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001086613269 1279622736 /nfs/dbraw/zinc/62/27/36/1279622736.db2.gz KWJQIQVABBYIDF-YSIASYRMSA-N 1 3 343.515 2.855 20 0 EFADHO C[C@H](CCCC[NH2+]C/C=C/Cl)NC(=O)CN(C)CC(C)(C)C ZINC001175296386 1287378416 /nfs/dbraw/zinc/37/84/16/1287378416.db2.gz NJOFCZXATCSTJZ-TUPIDYKKSA-N 1 3 331.932 2.981 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CCC[C@H]1C ZINC001175255858 1287380356 /nfs/dbraw/zinc/38/03/56/1287380356.db2.gz HYDCRAMJMBTDAK-ZWKOTPCHSA-N 1 3 331.504 2.936 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C)cc3C)C[C@H]21 ZINC001114489021 1287381338 /nfs/dbraw/zinc/38/13/38/1287381338.db2.gz XMFSJHQKTBKJDF-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO Cc1ccncc1C[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175257061 1287381327 /nfs/dbraw/zinc/38/13/27/1287381327.db2.gz TVAZVFIXHSEIIL-MSOLQXFVSA-N 1 3 346.519 2.639 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]21 ZINC001114489021 1287381341 /nfs/dbraw/zinc/38/13/41/1287381341.db2.gz XMFSJHQKTBKJDF-BWTSREIZSA-N 1 3 343.515 2.580 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@@H]1C ZINC001175256799 1287381543 /nfs/dbraw/zinc/38/15/43/1287381543.db2.gz PAAKHILQYHRYLR-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CC[C@@H](C)C1 ZINC001175262098 1287383001 /nfs/dbraw/zinc/38/30/01/1287383001.db2.gz ATKATRYJKOOFQI-SJORKVTESA-N 1 3 329.504 2.733 20 0 EFADHO CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175263382 1287384059 /nfs/dbraw/zinc/38/40/59/1287384059.db2.gz PMEDDWBMKPPKAF-MAUKXSAKSA-N 1 3 329.504 2.874 20 0 EFADHO CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001175263385 1287384382 /nfs/dbraw/zinc/38/43/82/1287384382.db2.gz PMEDDWBMKPPKAF-QAPCUYQASA-N 1 3 329.504 2.874 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175262424 1287384452 /nfs/dbraw/zinc/38/44/52/1287384452.db2.gz GUULAHOWOMVQQV-JKSUJKDBSA-N 1 3 337.533 2.855 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001175265075 1287385721 /nfs/dbraw/zinc/38/57/21/1287385721.db2.gz XGLNCDCYYLJEMS-QZTJIDSGSA-N 1 3 331.504 2.793 20 0 EFADHO CC[C@H](F)C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271807 1287387765 /nfs/dbraw/zinc/38/77/65/1287387765.db2.gz DPSHTKUQWPTMFZ-HOTGVXAUSA-N 1 3 329.504 2.731 20 0 EFADHO [NH3+]CCCCCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000846221408 1280074823 /nfs/dbraw/zinc/07/48/23/1280074823.db2.gz IROCNOHYBVTNRH-UHFFFAOYSA-N 1 3 339.911 2.856 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1cc(C)ns1)N(C)C ZINC001175314921 1287398669 /nfs/dbraw/zinc/39/86/69/1287398669.db2.gz CJHIHKBSZOCYLR-BBRMVZONSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1)N(C)C ZINC001175316126 1287399052 /nfs/dbraw/zinc/39/90/52/1287399052.db2.gz ITWGEDBALIXLKM-HOCLYGCPSA-N 1 3 325.522 2.853 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C\Cl)N(C)C ZINC001175316683 1287399290 /nfs/dbraw/zinc/39/92/90/1287399290.db2.gz LEAUNQVLUKEWBN-JBUYOTSVSA-N 1 3 338.323 2.910 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1ncc(C)s1)N(C)C ZINC001175317276 1287399639 /nfs/dbraw/zinc/39/96/39/1287399639.db2.gz NNNZETJFQIHQHQ-ZFWWWQNUSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1)N(C)C ZINC001175316131 1287399720 /nfs/dbraw/zinc/39/97/20/1287399720.db2.gz ITWGEDBALIXLKM-ZBFHGGJFSA-N 1 3 325.522 2.853 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001129421947 1280184714 /nfs/dbraw/zinc/18/47/14/1280184714.db2.gz DSWWEJMRFKMPJH-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@@H](C)c1cccc(F)c1 ZINC001129421947 1280184719 /nfs/dbraw/zinc/18/47/19/1280184719.db2.gz DSWWEJMRFKMPJH-MAUKXSAKSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)c1ccc2ccccc2c1 ZINC001129454977 1280195704 /nfs/dbraw/zinc/19/57/04/1280195704.db2.gz QNRMGGAZMHNADO-YWZLYKJASA-N 1 3 339.483 2.947 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C1CCC1 ZINC001129532119 1280234220 /nfs/dbraw/zinc/23/42/20/1280234220.db2.gz RKXWARPKTLGCRT-QGZVFWFLSA-N 1 3 335.879 2.517 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1cc2ccccc2s1)C1CCC1 ZINC001129532253 1280234771 /nfs/dbraw/zinc/23/47/71/1280234771.db2.gz XDIQDSMIVLFQNI-UHFFFAOYSA-N 1 3 331.485 2.591 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2)C1 ZINC001091267492 1280235259 /nfs/dbraw/zinc/23/52/59/1280235259.db2.gz NICITDPJHAQJCH-MHJFOBGBSA-N 1 3 343.515 2.934 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)CN(C)C1CCC1)c1ccc(Cl)cc1 ZINC001129535707 1280252940 /nfs/dbraw/zinc/25/29/40/1280252940.db2.gz YZWIJEFRUIJPAQ-QGZVFWFLSA-N 1 3 337.895 2.981 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235025 1280309225 /nfs/dbraw/zinc/30/92/25/1280309225.db2.gz CALDPWPNEBFXBV-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001129855057 1280354283 /nfs/dbraw/zinc/35/42/83/1280354283.db2.gz BZGUYMXULDFKOZ-CQSZACIVSA-N 1 3 341.858 2.559 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCc1ccc(F)c(Cl)c1 ZINC001129855057 1280354292 /nfs/dbraw/zinc/35/42/92/1280354292.db2.gz BZGUYMXULDFKOZ-CQSZACIVSA-N 1 3 341.858 2.559 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001129849761 1280354911 /nfs/dbraw/zinc/35/49/11/1280354911.db2.gz TXYYAYFBRVUYLG-MRXNPFEDSA-N 1 3 329.444 2.513 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCc1cc2ccccc2o1 ZINC001129849761 1280354917 /nfs/dbraw/zinc/35/49/17/1280354917.db2.gz TXYYAYFBRVUYLG-MRXNPFEDSA-N 1 3 329.444 2.513 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001129947400 1280381727 /nfs/dbraw/zinc/38/17/27/1280381727.db2.gz YGCKQQULYFXPSG-OSJSJHBBSA-N 1 3 337.895 2.645 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001129947401 1280382038 /nfs/dbraw/zinc/38/20/38/1280382038.db2.gz YGCKQQULYFXPSG-RTRPANQVSA-N 1 3 337.895 2.645 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccccc2F)C1 ZINC001091377732 1280456993 /nfs/dbraw/zinc/45/69/93/1280456993.db2.gz WXLZREBQXIKRKZ-GXOAENINSA-N 1 3 347.478 2.685 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)N(C)C ZINC001130197976 1280566782 /nfs/dbraw/zinc/56/67/82/1280566782.db2.gz UDKMATOKUQAZSN-LJQANCHMSA-N 1 3 333.520 2.775 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]CCCc1cccc2ccccc21)N(C)C ZINC001130205689 1280574290 /nfs/dbraw/zinc/57/42/90/1280574290.db2.gz SMHRPTMSBNCKRF-HXUWFJFHSA-N 1 3 341.499 2.818 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1)N(C)C ZINC001130200395 1280584397 /nfs/dbraw/zinc/58/43/97/1280584397.db2.gz IDDGBCJFOUKLPP-DNVCBOLYSA-N 1 3 327.472 2.947 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001171260515 1280694736 /nfs/dbraw/zinc/69/47/36/1280694736.db2.gz JSEBJNDLZDPVQH-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(C[NH2+]CCCC[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001171261075 1280696645 /nfs/dbraw/zinc/69/66/45/1280696645.db2.gz PQBHVELJWUVGRC-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000872149330 1287445261 /nfs/dbraw/zinc/44/52/61/1287445261.db2.gz UVPQDRSBSUSVAE-CVEARBPZSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000872149330 1287445267 /nfs/dbraw/zinc/44/52/67/1287445267.db2.gz UVPQDRSBSUSVAE-CVEARBPZSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000872149333 1287445514 /nfs/dbraw/zinc/44/55/14/1287445514.db2.gz UVPQDRSBSUSVAE-JKSUJKDBSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000872149333 1287445523 /nfs/dbraw/zinc/44/55/23/1287445523.db2.gz UVPQDRSBSUSVAE-JKSUJKDBSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000872149331 1287445683 /nfs/dbraw/zinc/44/56/83/1287445683.db2.gz UVPQDRSBSUSVAE-HOTGVXAUSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000872149331 1287445686 /nfs/dbraw/zinc/44/56/86/1287445686.db2.gz UVPQDRSBSUSVAE-HOTGVXAUSA-N 1 3 331.485 2.992 20 0 EFADHO CN(CCCCCC[NH3+])CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000872154850 1287449350 /nfs/dbraw/zinc/44/93/50/1287449350.db2.gz CBFHFXABMYVCMO-UHFFFAOYSA-N 1 3 342.487 2.504 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001130425268 1280856740 /nfs/dbraw/zinc/85/67/40/1280856740.db2.gz QQHYAKWJTLXUKA-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001130425268 1280856748 /nfs/dbraw/zinc/85/67/48/1280856748.db2.gz QQHYAKWJTLXUKA-UHFFFAOYSA-N 1 3 346.302 2.930 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC001130427646 1280862304 /nfs/dbraw/zinc/86/23/04/1280862304.db2.gz QAFVGSYROXCCTO-UHFFFAOYSA-N 1 3 327.472 2.776 20 0 EFADHO C[NH+](C)CCn1cc(NC2=CCN(Cc3ccccc3)CC2)cn1 ZINC001175505187 1287456079 /nfs/dbraw/zinc/45/60/79/1287456079.db2.gz NHUUWYMUVBOXBJ-UHFFFAOYSA-N 1 3 325.460 2.646 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001146590816 1280945196 /nfs/dbraw/zinc/94/51/96/1280945196.db2.gz BKSDFVJEGYEAIS-KGLIPLIRSA-N 1 3 341.446 2.678 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146592281 1280945311 /nfs/dbraw/zinc/94/53/11/1280945311.db2.gz IWCPOUSAQJDZNT-HZPDHXFCSA-N 1 3 337.483 2.847 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146592280 1280945909 /nfs/dbraw/zinc/94/59/09/1280945909.db2.gz IWCPOUSAQJDZNT-HOTGVXAUSA-N 1 3 337.483 2.847 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146595419 1280947654 /nfs/dbraw/zinc/94/76/54/1280947654.db2.gz ZAJNPMBTAGDWMZ-SJORKVTESA-N 1 3 333.520 2.962 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001146600404 1280948668 /nfs/dbraw/zinc/94/86/68/1280948668.db2.gz GUPRVTJJVKNCGN-JKSUJKDBSA-N 1 3 344.503 2.881 20 0 EFADHO Cc1ccccc1OCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146601171 1280949411 /nfs/dbraw/zinc/94/94/11/1280949411.db2.gz KUVIWXDODBHQKW-QZTJIDSGSA-N 1 3 349.519 2.587 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1C ZINC001146600370 1280949773 /nfs/dbraw/zinc/94/97/73/1280949773.db2.gz GMXBYUXHRWQMFA-CVEARBPZSA-N 1 3 349.519 2.717 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC001146600366 1280949933 /nfs/dbraw/zinc/94/99/33/1280949933.db2.gz GJKKOOZMNJONKF-QZTJIDSGSA-N 1 3 349.519 2.669 20 0 EFADHO CN(CC[NH3+])CCNc1[nH]ccc2nc(-c3ccccc3Cl)nc1-2 ZINC001170498136 1280973310 /nfs/dbraw/zinc/97/33/10/1280973310.db2.gz RWEBUESPRDRQRK-UHFFFAOYSA-N 1 3 344.850 2.581 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001130708882 1281122850 /nfs/dbraw/zinc/12/28/50/1281122850.db2.gz LQXOAUFUVSOQRC-AWEZNQCLSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001130708882 1281122855 /nfs/dbraw/zinc/12/28/55/1281122855.db2.gz LQXOAUFUVSOQRC-AWEZNQCLSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724246 1281246743 /nfs/dbraw/zinc/24/67/43/1281246743.db2.gz ILNPLUFMHSTWAE-FUHWJXTLSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147724246 1281246749 /nfs/dbraw/zinc/24/67/49/1281246749.db2.gz ILNPLUFMHSTWAE-FUHWJXTLSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2)N(C)C ZINC001147749582 1281264525 /nfs/dbraw/zinc/26/45/25/1281264525.db2.gz YDBDYOIMYDEDKF-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)(C)C)C2)N(C)C ZINC001147749582 1281264536 /nfs/dbraw/zinc/26/45/36/1281264536.db2.gz YDBDYOIMYDEDKF-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC1CC3(CCC3)C1)C2 ZINC001147808840 1281272673 /nfs/dbraw/zinc/27/26/73/1281272673.db2.gz BLKHVHLXTJWVKC-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC3(CCC3)C1)C2 ZINC001147808840 1281272683 /nfs/dbraw/zinc/27/26/83/1281272683.db2.gz BLKHVHLXTJWVKC-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO COCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)C ZINC001175571410 1287487776 /nfs/dbraw/zinc/48/77/76/1287487776.db2.gz ACCIPEGVDLCBHB-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174802 1281441761 /nfs/dbraw/zinc/44/17/61/1281441761.db2.gz WCLPXDHZJDGKDV-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174384 1281441835 /nfs/dbraw/zinc/44/18/35/1281441835.db2.gz LMTNSVQNOMYEJX-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285383 1281494658 /nfs/dbraw/zinc/49/46/58/1281494658.db2.gz QPELYPPAVLSKHL-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)C1 ZINC001148285383 1281494663 /nfs/dbraw/zinc/49/46/63/1281494663.db2.gz QPELYPPAVLSKHL-MSOLQXFVSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001091716195 1281534316 /nfs/dbraw/zinc/53/43/16/1281534316.db2.gz NEDXKBPPMSSCTE-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001091716195 1281534324 /nfs/dbraw/zinc/53/43/24/1281534324.db2.gz NEDXKBPPMSSCTE-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CC[C@H](C)F)C2 ZINC001148458082 1281558404 /nfs/dbraw/zinc/55/84/04/1281558404.db2.gz IBHOIRPJFLXJPW-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CC[C@H](C)F)C2 ZINC001148458082 1281558412 /nfs/dbraw/zinc/55/84/12/1281558412.db2.gz IBHOIRPJFLXJPW-KRWDZBQOSA-N 1 3 341.515 2.781 20 0 EFADHO CCc1cccc(C[N@H+]2CCC3(CN(C(=O)CN(CC)CC)C3)C2)c1 ZINC001148462524 1281561034 /nfs/dbraw/zinc/56/10/34/1281561034.db2.gz DKGIXNLVKWAHDW-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC3(CN(C(=O)CN(CC)CC)C3)C2)c1 ZINC001148462524 1281561042 /nfs/dbraw/zinc/56/10/42/1281561042.db2.gz DKGIXNLVKWAHDW-UHFFFAOYSA-N 1 3 343.515 2.625 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1ccccc1C)C2 ZINC001148469578 1281565116 /nfs/dbraw/zinc/56/51/16/1281565116.db2.gz OACMVTLRDMKLKH-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1C)C2 ZINC001148469578 1281565128 /nfs/dbraw/zinc/56/51/28/1281565128.db2.gz OACMVTLRDMKLKH-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccccc1C)C2 ZINC001148469580 1281565538 /nfs/dbraw/zinc/56/55/38/1281565538.db2.gz OACMVTLRDMKLKH-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1C)C2 ZINC001148469580 1281565540 /nfs/dbraw/zinc/56/55/40/1281565540.db2.gz OACMVTLRDMKLKH-SFHVURJKSA-N 1 3 343.515 2.932 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCCC4CCC4)C[C@@]3(C)C2)CCC1 ZINC001091735110 1281643285 /nfs/dbraw/zinc/64/32/85/1281643285.db2.gz KEDZIAPHQGKIHQ-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCCC4CCC4)C[C@@]3(C)C2)CCC1 ZINC001091735110 1281643299 /nfs/dbraw/zinc/64/32/99/1281643299.db2.gz KEDZIAPHQGKIHQ-QUCCMNQESA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001148578243 1281659024 /nfs/dbraw/zinc/65/90/24/1281659024.db2.gz RXJZTQHNHRGRSP-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCNCc1ccc(Cl)c(Cl)c1 ZINC001148578243 1281659032 /nfs/dbraw/zinc/65/90/32/1281659032.db2.gz RXJZTQHNHRGRSP-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148651732 1281674899 /nfs/dbraw/zinc/67/48/99/1281674899.db2.gz OMLONPGUUYSZGK-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccc(F)cc1)C2 ZINC001148651732 1281674905 /nfs/dbraw/zinc/67/49/05/1281674905.db2.gz OMLONPGUUYSZGK-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001148655835 1281678120 /nfs/dbraw/zinc/67/81/20/1281678120.db2.gz SOLINDNUMHUNHE-MRXNPFEDSA-N 1 3 327.472 2.948 20 0 EFADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001148656231 1281678662 /nfs/dbraw/zinc/67/86/62/1281678662.db2.gz XSMGUOQIKKBHRI-MRXNPFEDSA-N 1 3 327.472 2.948 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CC1 ZINC001091738043 1281687514 /nfs/dbraw/zinc/68/75/14/1281687514.db2.gz NXXWETDUVGMPKD-HLIPFELVSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)C1CC1 ZINC001091738043 1281687517 /nfs/dbraw/zinc/68/75/17/1281687517.db2.gz NXXWETDUVGMPKD-HLIPFELVSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148843297 1281781634 /nfs/dbraw/zinc/78/16/34/1281781634.db2.gz FJDZQWPGXMPWTN-MRXNPFEDSA-N 1 3 347.478 2.761 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148843297 1281781637 /nfs/dbraw/zinc/78/16/37/1281781637.db2.gz FJDZQWPGXMPWTN-MRXNPFEDSA-N 1 3 347.478 2.761 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148844465 1281782445 /nfs/dbraw/zinc/78/24/45/1281782445.db2.gz MQIUCQXJJPMFFE-SFHVURJKSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1cccc([C@H](C)[N@H+]2CCC3(CN(C(=O)CN(C)C(C)C)C3)C2)c1 ZINC001148844465 1281782450 /nfs/dbraw/zinc/78/24/50/1281782450.db2.gz MQIUCQXJJPMFFE-SFHVURJKSA-N 1 3 343.515 2.931 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091758848 1281795283 /nfs/dbraw/zinc/79/52/83/1281795283.db2.gz NYDBQTNNMPMHBM-DYXWJJEUSA-N 1 3 343.515 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)N(C)C ZINC001091758848 1281795291 /nfs/dbraw/zinc/79/52/91/1281795291.db2.gz NYDBQTNNMPMHBM-DYXWJJEUSA-N 1 3 343.515 2.553 20 0 EFADHO CC1(C)CC[NH2+]CCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000872297303 1287528822 /nfs/dbraw/zinc/52/88/22/1287528822.db2.gz KWVQNAVTAYFBFW-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Oc2cccnc2)cc1 ZINC000808764230 1281885561 /nfs/dbraw/zinc/88/55/61/1281885561.db2.gz WEYAVLZRMWFJKE-FUHWJXTLSA-N 1 3 341.455 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)OC ZINC001175740127 1287534309 /nfs/dbraw/zinc/53/43/09/1287534309.db2.gz RWPYCROLAUCLCQ-QZTJIDSGSA-N 1 3 343.556 2.798 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000872310287 1287534434 /nfs/dbraw/zinc/53/44/34/1287534434.db2.gz VIBAEQYLHXDEKP-QRVBRYPASA-N 1 3 329.488 2.593 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CCC1CC1)CC2 ZINC001086907883 1281907514 /nfs/dbraw/zinc/90/75/14/1281907514.db2.gz GJNVIQBQMJMGHD-AEFFLSMTSA-N 1 3 333.520 2.584 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)OC ZINC001175740125 1287534846 /nfs/dbraw/zinc/53/48/46/1287534846.db2.gz RWPYCROLAUCLCQ-MSOLQXFVSA-N 1 3 343.556 2.798 20 0 EFADHO CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001086942134 1281971573 /nfs/dbraw/zinc/97/15/73/1281971573.db2.gz JWHIADKXFQRFBL-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001086942828 1281973476 /nfs/dbraw/zinc/97/34/76/1281973476.db2.gz BSNCULXYTLQKLC-WMZOPIPTSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CN1CC[C@H](C)C1)CC[NH+](CCC1CC1)CC2 ZINC001086942637 1281974351 /nfs/dbraw/zinc/97/43/51/1281974351.db2.gz XDKWNWUOCGEKSZ-ZWKOTPCHSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CN3CCCC3)C2)CC1 ZINC001086957556 1282030784 /nfs/dbraw/zinc/03/07/84/1282030784.db2.gz QQXDTQFIARCAKO-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001171366805 1282104616 /nfs/dbraw/zinc/10/46/16/1282104616.db2.gz CMEAWINKEDGYDC-KBPBESRZSA-N 1 3 339.446 2.790 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCC(F)(F)F ZINC001175786331 1287551594 /nfs/dbraw/zinc/55/15/94/1287551594.db2.gz JDWUSJDCVVLNSJ-ZDUSSCGKSA-N 1 3 325.419 2.545 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)CCCC[NH2+]CCOc1ccccc1 ZINC001175787850 1287552553 /nfs/dbraw/zinc/55/25/53/1287552553.db2.gz YGYRZWATTGEQCJ-SFHVURJKSA-N 1 3 349.519 2.672 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171368746 1282173797 /nfs/dbraw/zinc/17/37/97/1282173797.db2.gz RVSSPHAKVSIEGN-HKUYNNGSSA-N 1 3 348.535 2.741 20 0 EFADHO CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000747556254 1282202304 /nfs/dbraw/zinc/20/23/04/1282202304.db2.gz SNGXWBWDLRRXPD-WBVHZDCISA-N 1 3 344.421 2.882 20 0 EFADHO CN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000747556254 1282202315 /nfs/dbraw/zinc/20/23/15/1282202315.db2.gz SNGXWBWDLRRXPD-WBVHZDCISA-N 1 3 344.421 2.882 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605788 1282312626 /nfs/dbraw/zinc/31/26/26/1282312626.db2.gz IUOWIAWHBLDVJN-NUWOQIAWSA-N 1 3 339.524 3.000 20 0 EFADHO C[NH+](C)CC1(C(=O)NCCNCc2ccc(F)cc2)CCCCC1 ZINC001131794301 1282321542 /nfs/dbraw/zinc/32/15/42/1282321542.db2.gz RRVHDOGXEFXDKE-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092011581 1282337159 /nfs/dbraw/zinc/33/71/59/1282337159.db2.gz ANMFFRGMPMHVOS-XLIONFOSSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092011581 1282337167 /nfs/dbraw/zinc/33/71/67/1282337167.db2.gz ANMFFRGMPMHVOS-XLIONFOSSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021809 1282342703 /nfs/dbraw/zinc/34/27/03/1282342703.db2.gz INZLMBICNDXGAM-HBFSDRIKSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001092021809 1282342704 /nfs/dbraw/zinc/34/27/04/1282342704.db2.gz INZLMBICNDXGAM-HBFSDRIKSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@H+](CCCC1CCCC1)C2 ZINC001092052481 1282351457 /nfs/dbraw/zinc/35/14/57/1282351457.db2.gz JNIIWUITXHLZFF-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[N@@H+](CCCC1CCCC1)C2 ZINC001092052481 1282351464 /nfs/dbraw/zinc/35/14/64/1282351464.db2.gz JNIIWUITXHLZFF-XLIONFOSSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071138 1282367111 /nfs/dbraw/zinc/36/71/11/1282367111.db2.gz IDSBHMFGMOLDST-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)N3CCCCCC3)C[C@]2(C)C1 ZINC001092071138 1282367119 /nfs/dbraw/zinc/36/71/19/1282367119.db2.gz IDSBHMFGMOLDST-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+](CCC(=O)NCCNCc1cccc(F)c1)C1CCCCC1 ZINC001131815571 1282399203 /nfs/dbraw/zinc/39/92/03/1282399203.db2.gz JJHVAXCGTIAVNF-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO C[N@@H+](CCC(=O)NCCNCc1cccc(F)c1)C1CCCCC1 ZINC001131815571 1282399211 /nfs/dbraw/zinc/39/92/11/1282399211.db2.gz JJHVAXCGTIAVNF-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298133 1282545479 /nfs/dbraw/zinc/54/54/79/1282545479.db2.gz OVDLBXYOBLDGGJ-CTNGQTDRSA-N 1 3 343.515 2.942 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@]2(C)C1 ZINC001092298133 1282545488 /nfs/dbraw/zinc/54/54/88/1282545488.db2.gz OVDLBXYOBLDGGJ-CTNGQTDRSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@H+](CCCF)C[C@@]3(C)C2)c1 ZINC001092297574 1282546080 /nfs/dbraw/zinc/54/60/80/1282546080.db2.gz ZOWOKMXXLSNSQG-QUCCMNQESA-N 1 3 347.478 2.502 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@@H+](CCCF)C[C@@]3(C)C2)c1 ZINC001092297574 1282546087 /nfs/dbraw/zinc/54/60/87/1282546087.db2.gz ZOWOKMXXLSNSQG-QUCCMNQESA-N 1 3 347.478 2.502 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300211 1282548247 /nfs/dbraw/zinc/54/82/47/1282548247.db2.gz RLMOIISBCHZVAU-NQIIRXRSSA-N 1 3 343.515 2.942 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@]2(C)C1 ZINC001092300211 1282548254 /nfs/dbraw/zinc/54/82/54/1282548254.db2.gz RLMOIISBCHZVAU-NQIIRXRSSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001092302974 1282549744 /nfs/dbraw/zinc/54/97/44/1282549744.db2.gz LIYVBCQQFJVQAO-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001092302974 1282549753 /nfs/dbraw/zinc/54/97/53/1282549753.db2.gz LIYVBCQQFJVQAO-GGPKGHCWSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092658370 1282914789 /nfs/dbraw/zinc/91/47/89/1282914789.db2.gz RJNCFLLVKWYTIZ-BHIYHBOVSA-N 1 3 349.563 2.981 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001092658370 1282914803 /nfs/dbraw/zinc/91/48/03/1282914803.db2.gz RJNCFLLVKWYTIZ-BHIYHBOVSA-N 1 3 349.563 2.981 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093122 1287605727 /nfs/dbraw/zinc/60/57/27/1287605727.db2.gz IPYXPJABSGQEPE-TZMCWYRMSA-N 1 3 341.908 2.624 20 0 EFADHO O=C(NCCNCc1ccc(Cl)s1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093122 1287605735 /nfs/dbraw/zinc/60/57/35/1287605735.db2.gz IPYXPJABSGQEPE-TZMCWYRMSA-N 1 3 341.908 2.624 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025143 1283165464 /nfs/dbraw/zinc/16/54/64/1283165464.db2.gz SIPRSOHSAFMUDN-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCCN2C(C)C)[C@H](C)C1 ZINC001093025143 1283165474 /nfs/dbraw/zinc/16/54/74/1283165474.db2.gz SIPRSOHSAFMUDN-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]2C)cc1 ZINC001132265133 1283219385 /nfs/dbraw/zinc/21/93/85/1283219385.db2.gz IJSMLKRRGGFBTO-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCF)C1)N1CCCCC1 ZINC001036717503 1283222972 /nfs/dbraw/zinc/22/29/72/1283222972.db2.gz WQVADRSPKBBQNA-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCF)C1)N1CCCCC1 ZINC001036717503 1283222975 /nfs/dbraw/zinc/22/29/75/1283222975.db2.gz WQVADRSPKBBQNA-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717405 1283223018 /nfs/dbraw/zinc/22/30/18/1283223018.db2.gz VGDWSPRAHZDEIZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1)N1CCCCC1 ZINC001036717405 1283223022 /nfs/dbraw/zinc/22/30/22/1283223022.db2.gz VGDWSPRAHZDEIZ-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132270678 1283226701 /nfs/dbraw/zinc/22/67/01/1283226701.db2.gz VBXBLQNWVDUYHK-QFBILLFUSA-N 1 3 349.494 2.967 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1Cc1ccc(CF)cc1 ZINC001132270677 1283227192 /nfs/dbraw/zinc/22/71/92/1283227192.db2.gz VBXBLQNWVDUYHK-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CN1CCc1ccccc1F ZINC001132270483 1283227528 /nfs/dbraw/zinc/22/75/28/1283227528.db2.gz SWPGFBNMIRVJNT-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)(C(=O)NCCNCc1ccc(Cl)c(F)c1)[NH+]1CCCC1 ZINC001132283916 1283238765 /nfs/dbraw/zinc/23/87/65/1283238765.db2.gz OHAHTOSQEMFPJU-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2c(c1)CCC2 ZINC001132274035 1283243577 /nfs/dbraw/zinc/24/35/77/1283243577.db2.gz NNYDUEJCINPJMP-OXJNMPFZSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1Cc1ccc2cc[nH]c2c1 ZINC001132277656 1283248468 /nfs/dbraw/zinc/24/84/68/1283248468.db2.gz IFADGZKWWZQBPM-CRAIPNDOSA-N 1 3 342.487 2.589 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001093120783 1283263722 /nfs/dbraw/zinc/26/37/22/1283263722.db2.gz NNKKWJMLRXGRHZ-KURKYZTESA-N 1 3 341.515 2.685 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001093120783 1283263731 /nfs/dbraw/zinc/26/37/31/1283263731.db2.gz NNKKWJMLRXGRHZ-KURKYZTESA-N 1 3 341.515 2.685 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735428 1283309729 /nfs/dbraw/zinc/30/97/29/1283309729.db2.gz JNQIHJPOPHDZBL-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC3CCCC3)C2)CCC1 ZINC001036735428 1283309740 /nfs/dbraw/zinc/30/97/40/1283309740.db2.gz JNQIHJPOPHDZBL-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735660 1283311988 /nfs/dbraw/zinc/31/19/88/1283311988.db2.gz OIZOTHPEXDRGDP-OALUTQOASA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC001036735660 1283311997 /nfs/dbraw/zinc/31/19/97/1283311997.db2.gz OIZOTHPEXDRGDP-OALUTQOASA-N 1 3 341.499 2.594 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)CCC1 ZINC001036735606 1283312800 /nfs/dbraw/zinc/31/28/00/1283312800.db2.gz NCVRGWQUXMGMRW-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)CCC1 ZINC001036735606 1283312807 /nfs/dbraw/zinc/31/28/07/1283312807.db2.gz NCVRGWQUXMGMRW-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736476 1283316259 /nfs/dbraw/zinc/31/62/59/1283316259.db2.gz AGCUIEBUELJMBV-ICSRJNTNSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2=CCCCC2)C1)C1CCC1 ZINC001036736476 1283316273 /nfs/dbraw/zinc/31/62/73/1283316273.db2.gz AGCUIEBUELJMBV-ICSRJNTNSA-N 1 3 345.531 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737872 1283321940 /nfs/dbraw/zinc/32/19/40/1283321940.db2.gz XGEAIERZYFLGIT-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC(C)(C)C)C1)C1CCC1 ZINC001036737872 1283321954 /nfs/dbraw/zinc/32/19/54/1283321954.db2.gz XGEAIERZYFLGIT-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660090 1283509220 /nfs/dbraw/zinc/50/92/20/1283509220.db2.gz JIXQPJFZIXARPB-QFBILLFUSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000810660090 1283509227 /nfs/dbraw/zinc/50/92/27/1283509227.db2.gz JIXQPJFZIXARPB-QFBILLFUSA-N 1 3 341.515 2.683 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222444 1283511547 /nfs/dbraw/zinc/51/15/47/1283511547.db2.gz MBUCYHILJPMGDG-VQIMIIECSA-N 1 3 331.504 2.702 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001093222444 1283511554 /nfs/dbraw/zinc/51/15/54/1283511554.db2.gz MBUCYHILJPMGDG-VQIMIIECSA-N 1 3 331.504 2.702 20 0 EFADHO C[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224417 1283513595 /nfs/dbraw/zinc/51/35/95/1283513595.db2.gz VQJZKNMOFIRNPL-KIBVIPRGSA-N 1 3 349.906 2.798 20 0 EFADHO C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1CNC(=O)c1ccccc1CN(C)C ZINC001093224417 1283513602 /nfs/dbraw/zinc/51/36/02/1283513602.db2.gz VQJZKNMOFIRNPL-KIBVIPRGSA-N 1 3 349.906 2.798 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410779 1283529441 /nfs/dbraw/zinc/52/94/41/1283529441.db2.gz OADDVQBPPJHLPU-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C)cc2)C1 ZINC001132410779 1283529447 /nfs/dbraw/zinc/52/94/47/1283529447.db2.gz OADDVQBPPJHLPU-PKOBYXMFSA-N 1 3 331.504 2.806 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410844 1283530140 /nfs/dbraw/zinc/53/01/40/1283530140.db2.gz PCCHBKUVYCAXPP-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(CF)cc2)C1 ZINC001132410844 1283530150 /nfs/dbraw/zinc/53/01/50/1283530150.db2.gz PCCHBKUVYCAXPP-APWZRJJASA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1nc(C)cs1 ZINC001176024449 1287661448 /nfs/dbraw/zinc/66/14/48/1287661448.db2.gz OHIPSRVHPINHFL-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCCNCc1nc(C)cs1 ZINC001176024449 1287661454 /nfs/dbraw/zinc/66/14/54/1287661454.db2.gz OHIPSRVHPINHFL-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CC(C)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093362663 1283787210 /nfs/dbraw/zinc/78/72/10/1283787210.db2.gz VRVMLKLKFDHQQL-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001093362663 1283787220 /nfs/dbraw/zinc/78/72/20/1283787220.db2.gz VRVMLKLKFDHQQL-MOPGFXCFSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371459 1283806585 /nfs/dbraw/zinc/80/65/85/1283806585.db2.gz RBTFCDCTKISFHB-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001093371459 1283806597 /nfs/dbraw/zinc/80/65/97/1283806597.db2.gz RBTFCDCTKISFHB-RBUKOAKNSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371768 1283807920 /nfs/dbraw/zinc/80/79/20/1283807920.db2.gz UWNZMGCJRPDFJQ-GOSISDBHSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093371768 1283807930 /nfs/dbraw/zinc/80/79/30/1283807930.db2.gz UWNZMGCJRPDFJQ-GOSISDBHSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820286 1284095485 /nfs/dbraw/zinc/09/54/85/1284095485.db2.gz FYXFOEUYENVQRH-ZWKOTPCHSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2CN(C(=O)CN3CCC(C)(C)C3)CC[C@H]21 ZINC001036820286 1284095493 /nfs/dbraw/zinc/09/54/93/1284095493.db2.gz FYXFOEUYENVQRH-ZWKOTPCHSA-N 1 3 333.520 2.607 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001036829654 1284169779 /nfs/dbraw/zinc/16/97/79/1284169779.db2.gz IZAFKBLQWAVDQQ-PKOBYXMFSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2=CCCCC2)C1 ZINC001036829654 1284169790 /nfs/dbraw/zinc/16/97/90/1284169790.db2.gz IZAFKBLQWAVDQQ-PKOBYXMFSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001036829626 1284170038 /nfs/dbraw/zinc/17/00/38/1284170038.db2.gz IOZLEZSHOPVFEB-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001036829626 1284170046 /nfs/dbraw/zinc/17/00/46/1284170046.db2.gz IOZLEZSHOPVFEB-PKOBYXMFSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC2CCCC2)C1 ZINC001036829624 1284170854 /nfs/dbraw/zinc/17/08/54/1284170854.db2.gz IOZLEZSHOPVFEB-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCC2CCCC2)C1 ZINC001036829624 1284170860 /nfs/dbraw/zinc/17/08/60/1284170860.db2.gz IOZLEZSHOPVFEB-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CCCC3)C2)CC1 ZINC001036852801 1284324324 /nfs/dbraw/zinc/32/43/24/1284324324.db2.gz JVOVUWCRQULTGZ-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CCCC3)C2)CC1 ZINC001036852801 1284324332 /nfs/dbraw/zinc/32/43/32/1284324332.db2.gz JVOVUWCRQULTGZ-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853183 1284326343 /nfs/dbraw/zinc/32/63/43/1284326343.db2.gz PHKSTDLBDLAXSK-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@@H]21 ZINC001036853183 1284326349 /nfs/dbraw/zinc/32/63/49/1284326349.db2.gz PHKSTDLBDLAXSK-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001132888127 1284423256 /nfs/dbraw/zinc/42/32/56/1284423256.db2.gz LEKMKXLRHQZKJW-DLBZAZTESA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132892262 1284426979 /nfs/dbraw/zinc/42/69/79/1284426979.db2.gz CWXLKCVLPKQHOZ-ZGKJDNBHSA-N 1 3 335.536 2.901 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001132936270 1284465069 /nfs/dbraw/zinc/46/50/69/1284465069.db2.gz AYOWPEPUODWXLX-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C)cs1 ZINC001093824049 1284543424 /nfs/dbraw/zinc/54/34/24/1284543424.db2.gz FKIQDKZKKCZBGM-FSPWUOQZSA-N 1 3 349.544 2.581 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccsc2)[C@H](C)C1)N(C)C ZINC001093839694 1284555214 /nfs/dbraw/zinc/55/52/14/1284555214.db2.gz VMPQWFKSFQFJIB-OIISXLGYSA-N 1 3 337.533 2.518 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1 ZINC001093839347 1284556040 /nfs/dbraw/zinc/55/60/40/1284556040.db2.gz KVIVNNXQOLUCTI-RLLQIKCJSA-N 1 3 345.531 2.765 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@H](C)C1)N(C)C ZINC001093839706 1284556170 /nfs/dbraw/zinc/55/61/70/1284556170.db2.gz VZMBYQUHAZUDQU-SUMDDJOVSA-N 1 3 349.494 2.596 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1)N(C)C ZINC001093858874 1284573931 /nfs/dbraw/zinc/57/39/31/1284573931.db2.gz KUHSDMDUEKLHTN-BHIYHBOVSA-N 1 3 331.504 2.519 20 0 EFADHO C[NH+](C)CCCC(=O)NCCNC1c2ccccc2-c2ccccc21 ZINC001133040565 1284665483 /nfs/dbraw/zinc/66/54/83/1284665483.db2.gz WZIYTCUHXVSZCR-UHFFFAOYSA-N 1 3 337.467 2.804 20 0 EFADHO C[NH+](C)CCCC(=O)NCCNCc1cc(Cl)cc(Cl)c1 ZINC001133043040 1284669686 /nfs/dbraw/zinc/66/96/86/1284669686.db2.gz PQLQPPDGXHJEHI-UHFFFAOYSA-N 1 3 332.275 2.541 20 0 EFADHO C[C@H](NCCNC(=O)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001133051730 1284693686 /nfs/dbraw/zinc/69/36/86/1284693686.db2.gz MSTXKFAFYYJVCG-LBPRGKRZSA-N 1 3 329.847 2.588 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C)cc1 ZINC001094040426 1284728211 /nfs/dbraw/zinc/72/82/11/1284728211.db2.gz IRQUTOJVWMGWFF-NLWGTHIKSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001094042488 1284730780 /nfs/dbraw/zinc/73/07/80/1284730780.db2.gz VEGFXRACFNBIEV-ZIFCJYIRSA-N 1 3 347.547 2.735 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1)N(C)C ZINC001094049248 1284732297 /nfs/dbraw/zinc/73/22/97/1284732297.db2.gz NXXZJMMOXVLJDT-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001094075010 1284759580 /nfs/dbraw/zinc/75/95/80/1284759580.db2.gz UVMLUTMAXNTCIT-SOLBZPMBSA-N 1 3 340.471 2.706 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001133120888 1284829694 /nfs/dbraw/zinc/82/96/94/1284829694.db2.gz CBRZWFWXSXMYMF-HTEAGGNKSA-N 1 3 341.927 2.545 20 0 EFADHO C[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001133120968 1284830597 /nfs/dbraw/zinc/83/05/97/1284830597.db2.gz CSKMEYUEUUUPOB-AEFFLSMTSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001133134812 1284847430 /nfs/dbraw/zinc/84/74/30/1284847430.db2.gz HWZGNELIOHMAFG-WMZOPIPTSA-N 1 3 344.503 2.917 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(C)(C)C2)[C@H](C)C1 ZINC001094241597 1284870518 /nfs/dbraw/zinc/87/05/18/1284870518.db2.gz RVBDCRGPLSRLNK-QRQLOZEOSA-N 1 3 349.563 2.981 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133177856 1284935419 /nfs/dbraw/zinc/93/54/19/1284935419.db2.gz ITJFVMQBACITRO-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133178034 1284935472 /nfs/dbraw/zinc/93/54/72/1284935472.db2.gz JTJASOVTGYJUMT-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133177858 1284935584 /nfs/dbraw/zinc/93/55/84/1284935584.db2.gz ITJFVMQBACITRO-SJLPKXTDSA-N 1 3 349.494 2.742 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133178200 1284936682 /nfs/dbraw/zinc/93/66/82/1284936682.db2.gz MKAAHBPPICADBS-SJLPKXTDSA-N 1 3 325.541 2.839 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001133182990 1284945953 /nfs/dbraw/zinc/94/59/53/1284945953.db2.gz WRMKSFMOLDQZBO-ICSRJNTNSA-N 1 3 345.531 2.645 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CC2)C1 ZINC001133185521 1284951286 /nfs/dbraw/zinc/95/12/86/1284951286.db2.gz FCLNIGPFOWRYIP-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCC)C1 ZINC001133185617 1284952037 /nfs/dbraw/zinc/95/20/37/1284952037.db2.gz GLKPZSGYJYIXNW-ROUUACIJSA-N 1 3 325.541 2.983 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]C(C)C)C1 ZINC001133185987 1284952189 /nfs/dbraw/zinc/95/21/89/1284952189.db2.gz LSEWIBCWVJNSPL-MSOLQXFVSA-N 1 3 325.541 2.981 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001133186186 1284952431 /nfs/dbraw/zinc/95/24/31/1284952431.db2.gz PMHICQUFKRHIHU-SJORKVTESA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133190175 1284965342 /nfs/dbraw/zinc/96/53/42/1284965342.db2.gz FBZGVKVELCXHRQ-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001133190179 1284965393 /nfs/dbraw/zinc/96/53/93/1284965393.db2.gz FBZGVKVELCXHRQ-PKOBYXMFSA-N 1 3 331.504 2.603 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133190804 1284966172 /nfs/dbraw/zinc/96/61/72/1284966172.db2.gz IQQLVVMZAUPYNA-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194519 1284973139 /nfs/dbraw/zinc/97/31/39/1284973139.db2.gz GVGOBSJYRSJYPF-RBUKOAKNSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194518 1284973306 /nfs/dbraw/zinc/97/33/06/1284973306.db2.gz GVGOBSJYRSJYPF-OALUTQOASA-N 1 3 337.552 2.839 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C)[C@@H](C[NH2+]C/C=C/Cl)C2)CC1 ZINC001133195776 1284974814 /nfs/dbraw/zinc/97/48/14/1284974814.db2.gz STPYEPPAUMMSJL-UCLCUNAYSA-N 1 3 341.927 2.545 20 0 EFADHO C[NH+]1CCC(C(=O)NCCNCc2ccc(Cl)c(Cl)c2)CC1 ZINC001133281734 1285099169 /nfs/dbraw/zinc/09/91/69/1285099169.db2.gz JWWNZGBQLVCUST-UHFFFAOYSA-N 1 3 344.286 2.541 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133274350 1285112179 /nfs/dbraw/zinc/11/21/79/1285112179.db2.gz GUAMWQVANXFCAH-MJGOQNOKSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(CC)CC)C1 ZINC001133276025 1285114921 /nfs/dbraw/zinc/11/49/21/1285114921.db2.gz YWCZRYNPYDDZEF-FUHWJXTLSA-N 1 3 325.541 2.839 20 0 EFADHO C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CCCF ZINC001133337368 1285215828 /nfs/dbraw/zinc/21/58/28/1285215828.db2.gz MTNBSLURQXRFRU-QFBILLFUSA-N 1 3 349.494 2.796 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001133346576 1285219954 /nfs/dbraw/zinc/21/99/54/1285219954.db2.gz MYUFCEXNJCWSRW-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CCCF ZINC001133342026 1285223008 /nfs/dbraw/zinc/22/30/08/1285223008.db2.gz MNKSYXZGHIHNNM-FUHWJXTLSA-N 1 3 349.494 2.796 20 0 EFADHO CCCCCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C ZINC001133345483 1285226961 /nfs/dbraw/zinc/22/69/61/1285226961.db2.gz CREBQIDJKYWFCA-QZTJIDSGSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133347352 1285234323 /nfs/dbraw/zinc/23/43/23/1285234323.db2.gz WBWFYOFXLLAEOC-WMZOPIPTSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133347115 1285234925 /nfs/dbraw/zinc/23/49/25/1285234925.db2.gz SVRYSCAXWLTPIY-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]2C)cc1 ZINC001133347545 1285237035 /nfs/dbraw/zinc/23/70/35/1285237035.db2.gz XPCVIQSDWWURGN-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[C@H](C)C1 ZINC001133404105 1285356331 /nfs/dbraw/zinc/35/63/31/1285356331.db2.gz YEJCQEGHXNDUKR-HNNXBMFYSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001133419752 1285382741 /nfs/dbraw/zinc/38/27/41/1285382741.db2.gz XBDXWMVHGLVYRL-HNAYVOBHSA-N 1 3 331.504 2.528 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]CCc1ccc2ccccc2c1)N(C)C ZINC001133434453 1285425652 /nfs/dbraw/zinc/42/56/52/1285425652.db2.gz REEYZIQZKHMPGA-HXUWFJFHSA-N 1 3 341.499 2.674 20 0 EFADHO CC[C@@H](NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)c1ccc(F)cc1F ZINC001133434028 1285425774 /nfs/dbraw/zinc/42/57/74/1285425774.db2.gz HQXJTUPUROWZIF-IAGOWNOFSA-N 1 3 341.446 2.708 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161541 1285501903 /nfs/dbraw/zinc/50/19/03/1285501903.db2.gz IPPZJXQBERKDRY-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N1CCCC1)C2 ZINC001110161541 1285501916 /nfs/dbraw/zinc/50/19/16/1285501916.db2.gz IPPZJXQBERKDRY-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161542 1285502366 /nfs/dbraw/zinc/50/23/66/1285502366.db2.gz IPPZJXQBERKDRY-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)N1CCCC1)C2 ZINC001110161542 1285502372 /nfs/dbraw/zinc/50/23/72/1285502372.db2.gz IPPZJXQBERKDRY-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001171498373 1285584724 /nfs/dbraw/zinc/58/47/24/1285584724.db2.gz AMGQJUBQYGFXKD-CZUORRHYSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)nc1C)N(C)C ZINC001171501324 1285609640 /nfs/dbraw/zinc/60/96/40/1285609640.db2.gz SKGBUHFQMNSIEB-DNVCBOLYSA-N 1 3 348.535 2.803 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1)N(C)C ZINC001171509681 1285618657 /nfs/dbraw/zinc/61/86/57/1285618657.db2.gz SIADXVMPDBDWTM-NVXWUHKLSA-N 1 3 339.549 2.895 20 0 EFADHO C[NH+](C)CCCCC(=O)NCCCNCc1c(F)cccc1Cl ZINC001171576330 1285655834 /nfs/dbraw/zinc/65/58/34/1285655834.db2.gz WCDOKLXIGRXUGP-UHFFFAOYSA-N 1 3 343.874 2.807 20 0 EFADHO CN1C(C)(C)CC([NH2+]C2CCN(C(=O)C(F)(F)F)CC2)CC1(C)C ZINC001171629214 1285661445 /nfs/dbraw/zinc/66/14/45/1285661445.db2.gz PWGAVLHNAVOVLG-UHFFFAOYSA-N 1 3 349.441 2.781 20 0 EFADHO CN1C(C)(C)CC([NH2+]C2CCN(c3ccncn3)CC2)CC1(C)C ZINC001171630130 1285662381 /nfs/dbraw/zinc/66/23/81/1285662381.db2.gz KEFGMVWJJSNTRR-UHFFFAOYSA-N 1 3 331.508 2.686 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)N(C)CC ZINC001171597197 1285668562 /nfs/dbraw/zinc/66/85/62/1285668562.db2.gz VNCZUEXPQKGLQY-KRWDZBQOSA-N 1 3 343.556 2.798 20 0 EFADHO CCOC(=O)N1CCC([NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC1 ZINC001171620172 1285682530 /nfs/dbraw/zinc/68/25/30/1285682530.db2.gz WWXVYZWWFZZFSX-UHFFFAOYSA-N 1 3 325.497 2.848 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1(C)C ZINC001171626110 1285689943 /nfs/dbraw/zinc/68/99/43/1285689943.db2.gz VZGOVEZQKYZUSC-LBPRGKRZSA-N 1 3 349.441 2.781 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1(C)C ZINC001171626110 1285689949 /nfs/dbraw/zinc/68/99/49/1285689949.db2.gz VZGOVEZQKYZUSC-LBPRGKRZSA-N 1 3 349.441 2.781 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(C(=O)c3ccncc3)C2)CC1(C)C ZINC001171627038 1285691318 /nfs/dbraw/zinc/69/13/18/1285691318.db2.gz JNUUPWMFIWJLSX-MRXNPFEDSA-N 1 3 344.503 2.537 20 0 EFADHO CN1C(C)(C)CC([NH2+]CC2CCN(c3ccncn3)CC2)CC1(C)C ZINC001171627142 1285691594 /nfs/dbraw/zinc/69/15/94/1285691594.db2.gz LTTQAFQFPOLZIH-UHFFFAOYSA-N 1 3 345.535 2.934 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CCCc1ccccc1Cl ZINC001171762759 1285769549 /nfs/dbraw/zinc/76/95/49/1285769549.db2.gz JWJIWXZPMAFYIU-UHFFFAOYSA-N 1 3 339.911 2.710 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC001171770543 1285776820 /nfs/dbraw/zinc/77/68/20/1285776820.db2.gz RSYSWNNNWTXNLC-CQSZACIVSA-N 1 3 325.884 2.839 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]CC/C=C/c1cccc(OC)c1 ZINC001171769657 1285776885 /nfs/dbraw/zinc/77/68/85/1285776885.db2.gz CAWZVPKJFPVYGH-WEVVVXLNSA-N 1 3 347.503 2.536 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001171769781 1285776901 /nfs/dbraw/zinc/77/69/01/1285776901.db2.gz FCGCJFTYHQDHHJ-UHFFFAOYSA-N 1 3 345.409 2.643 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171892455 1285881283 /nfs/dbraw/zinc/88/12/83/1285881283.db2.gz YZHQUNCZMHSAMW-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@@H]3CCCN(C(=O)c4ccccc4)CC3)C[C@@H]2C1 ZINC001171892455 1285881288 /nfs/dbraw/zinc/88/12/88/1285881288.db2.gz YZHQUNCZMHSAMW-HSALFYBXSA-N 1 3 341.499 2.565 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1CCN(CC[NH+](C)C)CC1 ZINC001171968660 1285921491 /nfs/dbraw/zinc/92/14/91/1285921491.db2.gz HRSQRWLRACANDD-OAHLLOKOSA-N 1 3 343.437 2.816 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086712021 1285926662 /nfs/dbraw/zinc/92/66/62/1285926662.db2.gz LXHCQJUZYDCQDT-OTWHNJEPSA-N 1 3 335.536 2.926 20 0 EFADHO O=C1C[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)CCN1C1CC1 ZINC001172007907 1285950378 /nfs/dbraw/zinc/95/03/78/1285950378.db2.gz MCVIMSQASUVBCL-FUHWJXTLSA-N 1 3 331.504 2.550 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171968868 1285953143 /nfs/dbraw/zinc/95/31/43/1285953143.db2.gz RSPUOHCYSKIVOZ-ZVDOUQERSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171968868 1285953149 /nfs/dbraw/zinc/95/31/49/1285953149.db2.gz RSPUOHCYSKIVOZ-ZVDOUQERSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171968867 1285954089 /nfs/dbraw/zinc/95/40/89/1285954089.db2.gz RSPUOHCYSKIVOZ-ZJOUEHCJSA-N 1 3 341.499 2.640 20 0 EFADHO CC(=O)N1C[C@@H]2C[C@]2(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171968867 1285954096 /nfs/dbraw/zinc/95/40/96/1285954096.db2.gz RSPUOHCYSKIVOZ-ZJOUEHCJSA-N 1 3 341.499 2.640 20 0 EFADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984125 1285963341 /nfs/dbraw/zinc/96/33/41/1285963341.db2.gz IDCXAOZVMLUMAE-ZWKOTPCHSA-N 1 3 329.488 2.769 20 0 EFADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@@H]2C(N)=O)CCN1Cc1ccccc1 ZINC001171984125 1285963351 /nfs/dbraw/zinc/96/33/51/1285963351.db2.gz IDCXAOZVMLUMAE-ZWKOTPCHSA-N 1 3 329.488 2.769 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001133819375 1285973469 /nfs/dbraw/zinc/97/34/69/1285973469.db2.gz AFXQAQNQYNAINQ-SUMWQHHRSA-N 1 3 335.879 2.517 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001133819374 1285974708 /nfs/dbraw/zinc/97/47/08/1285974708.db2.gz AFXQAQNQYNAINQ-GUYCJALGSA-N 1 3 335.879 2.517 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087234 1286002293 /nfs/dbraw/zinc/00/22/93/1286002293.db2.gz GPBPISIJCQNJPH-CAOSSQGBSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172087234 1286002301 /nfs/dbraw/zinc/00/23/01/1286002301.db2.gz GPBPISIJCQNJPH-CAOSSQGBSA-N 1 3 325.497 2.834 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC001133834163 1286002940 /nfs/dbraw/zinc/00/29/40/1286002940.db2.gz PTFNSJYAUUHMDV-QWHCGFSZSA-N 1 3 341.858 2.730 20 0 EFADHO c1ccc(C[N@H+]2[C@@H]3CCC[C@H]2C[C@@H](NC[C@H]2COCCO2)C3)cc1 ZINC001172065496 1286007513 /nfs/dbraw/zinc/00/75/13/1286007513.db2.gz NHTYDPPDLVOVOJ-YRPNKDGESA-N 1 3 330.472 2.577 20 0 EFADHO c1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2C[C@@H](NC[C@H]2COCCO2)C3)cc1 ZINC001172065496 1286007518 /nfs/dbraw/zinc/00/75/18/1286007518.db2.gz NHTYDPPDLVOVOJ-YRPNKDGESA-N 1 3 330.472 2.577 20 0 EFADHO O=C1OCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066798 1286007626 /nfs/dbraw/zinc/00/76/26/1286007626.db2.gz FLFFKBNTLRTLOC-REPLKXPHSA-N 1 3 343.471 2.614 20 0 EFADHO O=C1OCCN1CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066798 1286007630 /nfs/dbraw/zinc/00/76/30/1286007630.db2.gz FLFFKBNTLRTLOC-REPLKXPHSA-N 1 3 343.471 2.614 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(c3cc(Cl)ccn3)CC1)C2 ZINC001172126810 1286010070 /nfs/dbraw/zinc/01/00/70/1286010070.db2.gz YETONKJYOXLQBB-FVQHAEBGSA-N 1 3 334.895 2.872 20 0 EFADHO COC(=O)c1ccc(C2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)C2)cc1 ZINC001172127201 1286011567 /nfs/dbraw/zinc/01/15/67/1286011567.db2.gz HNKGEMVYXPMMLG-REPLKXPHSA-N 1 3 328.456 2.888 20 0 EFADHO CCC/C=C\CC[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133850665 1286012517 /nfs/dbraw/zinc/01/25/17/1286012517.db2.gz PLEBMTLKNJVVDL-JTHGQSKGSA-N 1 3 327.488 2.651 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCC2CCCCC2)C1 ZINC001133850623 1286012680 /nfs/dbraw/zinc/01/26/80/1286012680.db2.gz OOQJIZJVHFFMGX-IBGZPJMESA-N 1 3 341.515 2.875 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc2ccccc2c1 ZINC001133850627 1286013094 /nfs/dbraw/zinc/01/30/94/1286013094.db2.gz OTCQRSKNQJZVQG-DLBZAZTESA-N 1 3 339.483 2.948 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CC1)OC(=O)c1ccncc13)C2 ZINC001172129866 1286013325 /nfs/dbraw/zinc/01/33/25/1286013325.db2.gz LPAIEWUJSTZZQV-MUJYYYPQSA-N 1 3 341.455 2.558 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC3(CC1)OC(=O)c1ccncc13)C2 ZINC001172129866 1286013328 /nfs/dbraw/zinc/01/33/28/1286013328.db2.gz LPAIEWUJSTZZQV-MUJYYYPQSA-N 1 3 341.455 2.558 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102687 1286019810 /nfs/dbraw/zinc/01/98/10/1286019810.db2.gz OCQSIMBEJVYGBQ-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102687 1286019812 /nfs/dbraw/zinc/01/98/12/1286019812.db2.gz OCQSIMBEJVYGBQ-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccc(CN3CCOCC3)cc1)C2 ZINC001172102687 1286019817 /nfs/dbraw/zinc/01/98/17/1286019817.db2.gz OCQSIMBEJVYGBQ-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C2 ZINC001172103576 1286020793 /nfs/dbraw/zinc/02/07/93/1286020793.db2.gz VZPJWDIBBIEHKV-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1CN1CCOCC1)C2 ZINC001172103576 1286020795 /nfs/dbraw/zinc/02/07/95/1286020795.db2.gz VZPJWDIBBIEHKV-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCc1ccccc1CN1CCOCC1)C2 ZINC001172103576 1286020799 /nfs/dbraw/zinc/02/07/99/1286020799.db2.gz VZPJWDIBBIEHKV-MZADTFQBSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1nc(-c3ccccc3)no1)C2 ZINC001172103513 1286020904 /nfs/dbraw/zinc/02/09/04/1286020904.db2.gz VSYLHSXHDVEHSE-BJWYYQGGSA-N 1 3 326.444 2.884 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCCc1nc(-c3ccccc3)no1)C2 ZINC001172103513 1286020908 /nfs/dbraw/zinc/02/09/08/1286020908.db2.gz VSYLHSXHDVEHSE-BJWYYQGGSA-N 1 3 326.444 2.884 20 0 EFADHO COc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)ccc1OC1COC1 ZINC001172104270 1286021168 /nfs/dbraw/zinc/02/11/68/1286021168.db2.gz BQSAGSZVOPCNDW-OSYLJGHBSA-N 1 3 346.471 2.578 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001172105793 1286021421 /nfs/dbraw/zinc/02/14/21/1286021421.db2.gz KLJIIBHDDPUNNQ-NNZMDNLPSA-N 1 3 327.472 2.571 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCC(=O)N1CCc3ccccc31)C2 ZINC001172105793 1286021426 /nfs/dbraw/zinc/02/14/26/1286021426.db2.gz KLJIIBHDDPUNNQ-NNZMDNLPSA-N 1 3 327.472 2.571 20 0 EFADHO COc1cc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)cc(OC)c1OC ZINC001172107491 1286022623 /nfs/dbraw/zinc/02/26/23/1286022623.db2.gz YIMUNOJRWUGBRE-MUJYYYPQSA-N 1 3 334.460 2.817 20 0 EFADHO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CCO2 ZINC001172109432 1286023564 /nfs/dbraw/zinc/02/35/64/1286023564.db2.gz GWOKQMLLSZCCSS-XLMAVXFVSA-N 1 3 344.455 2.902 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001133845403 1286023757 /nfs/dbraw/zinc/02/37/57/1286023757.db2.gz FAWBEXUUJBHBKI-MRXNPFEDSA-N 1 3 331.504 2.532 20 0 EFADHO CCOC(=O)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC001172115656 1286025113 /nfs/dbraw/zinc/02/51/13/1286025113.db2.gz UWSQBMKIWPTUTE-FCGDIQPGSA-N 1 3 330.472 2.938 20 0 EFADHO CCOC(=O)[C@H](CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001172115656 1286025116 /nfs/dbraw/zinc/02/51/16/1286025116.db2.gz UWSQBMKIWPTUTE-FCGDIQPGSA-N 1 3 330.472 2.938 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC001133846262 1286025496 /nfs/dbraw/zinc/02/54/96/1286025496.db2.gz XNQGTJPCSLJOJL-GFCCVEGCSA-N 1 3 344.286 2.541 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC3(C1)CCN(C(=O)OC(C)(C)C)C3)C2 ZINC001172117367 1286027138 /nfs/dbraw/zinc/02/71/38/1286027138.db2.gz GLEZBUKBQROFHV-FVQHAEBGSA-N 1 3 349.519 2.945 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133856537 1286030879 /nfs/dbraw/zinc/03/08/79/1286030879.db2.gz IKEPQECXMJHFJK-JXFKEZNVSA-N 1 3 349.494 2.974 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)CN1CC[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC001133849768 1286031330 /nfs/dbraw/zinc/03/13/30/1286031330.db2.gz DDJKPVZVLWOQHN-QWHCGFSZSA-N 1 3 341.858 2.588 20 0 EFADHO COc1ccccc1CN1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172122451 1286031436 /nfs/dbraw/zinc/03/14/36/1286031436.db2.gz QRLHLGQCZCQJKF-ACDBMABISA-N 1 3 343.515 2.828 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133856540 1286031659 /nfs/dbraw/zinc/03/16/59/1286031659.db2.gz IKEPQECXMJHFJK-UZLBHIALSA-N 1 3 349.494 2.974 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(Cc3ccccc3F)CC1)C2 ZINC001172123306 1286032272 /nfs/dbraw/zinc/03/22/72/1286032272.db2.gz ZNBSCRPTAFHIRA-BWTSREIZSA-N 1 3 331.479 2.959 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]CCc2cccs2)CC1)N(C)C ZINC001165719034 1312669982 /nfs/dbraw/zinc/66/99/82/1312669982.db2.gz XYEHMTSGEGJQOZ-MRXNPFEDSA-N 1 3 337.533 2.507 20 0 EFADHO NC1(c2ccccc2Cl)CC[NH+]([C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172156952 1286041928 /nfs/dbraw/zinc/04/19/28/1286041928.db2.gz GDYBXWSVBKABRQ-GJZGRUSLSA-N 1 3 347.890 2.743 20 0 EFADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)c1cccc(Cl)c1 ZINC001133893335 1286071302 /nfs/dbraw/zinc/07/13/02/1286071302.db2.gz DEQXQWKCCHAHQH-AWEZNQCLSA-N 1 3 337.895 2.839 20 0 EFADHO Cc1cc(CNCCNC(=O)c2ccc(CC[NH+](C)C)cc2)cs1 ZINC001133894248 1286072341 /nfs/dbraw/zinc/07/23/41/1286072341.db2.gz ZSJDPNNHDUENDB-UHFFFAOYSA-N 1 3 345.512 2.680 20 0 EFADHO COCCCN1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC001172243625 1286076221 /nfs/dbraw/zinc/07/62/21/1286076221.db2.gz XSQZZRLINLAYBQ-UHFFFAOYSA-N 1 3 345.531 2.742 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001133897063 1286077850 /nfs/dbraw/zinc/07/78/50/1286077850.db2.gz XLGJTSSHZYUNGF-QGZVFWFLSA-N 1 3 349.906 2.765 20 0 EFADHO COCCC[NH+]1CCC(NCCOc2ccccc2SC)CC1 ZINC001172247923 1286079799 /nfs/dbraw/zinc/07/97/99/1286079799.db2.gz QFDUXSZNXWAWMF-UHFFFAOYSA-N 1 3 338.517 2.878 20 0 EFADHO COCCCN1CCC([N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172249584 1286081679 /nfs/dbraw/zinc/08/16/79/1286081679.db2.gz KKDCLVDMDZJMGR-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO COCCCN1CCC([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001172249584 1286081684 /nfs/dbraw/zinc/08/16/84/1286081684.db2.gz KKDCLVDMDZJMGR-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001172249274 1286081869 /nfs/dbraw/zinc/08/18/69/1286081869.db2.gz IIJXNPALFAVSKJ-KRWDZBQOSA-N 1 3 332.488 2.985 20 0 EFADHO COCCC[NH+]1CCC(N2CC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001172253854 1286084446 /nfs/dbraw/zinc/08/44/46/1286084446.db2.gz DIHRRBDEXXDXTO-GOSISDBHSA-N 1 3 332.488 2.985 20 0 EFADHO CN(CC(=O)NCC[NH2+]Cc1ccccc1C1CC1)CC(C)(C)C ZINC001133906472 1286089982 /nfs/dbraw/zinc/08/99/82/1286089982.db2.gz XIJOLBCFKZFFAH-UHFFFAOYSA-N 1 3 331.504 2.748 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCc2ccc(F)cc21)CC(C)(C)C ZINC001133906449 1286090287 /nfs/dbraw/zinc/09/02/87/1286090287.db2.gz WIWXUHUUOLWCJH-GOSISDBHSA-N 1 3 349.494 2.887 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@@H]1CCCc2ccccc21)CC(C)(C)C ZINC001133908577 1286092430 /nfs/dbraw/zinc/09/24/30/1286092430.db2.gz XQFDJXHFIQBXDZ-GOSISDBHSA-N 1 3 331.504 2.748 20 0 EFADHO CN(CC(=O)NCC[NH2+][C@H]1CCCc2ccccc21)CC(C)(C)C ZINC001133908578 1286092579 /nfs/dbraw/zinc/09/25/79/1286092579.db2.gz XQFDJXHFIQBXDZ-SFHVURJKSA-N 1 3 331.504 2.748 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133899467 1286098555 /nfs/dbraw/zinc/09/85/55/1286098555.db2.gz IAWJYSSLCIORSP-UHFFFAOYSA-N 1 3 333.520 2.994 20 0 EFADHO CCOCC[C@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001172412756 1286126725 /nfs/dbraw/zinc/12/67/25/1286126725.db2.gz WQRQSMOILOWCKK-SFHVURJKSA-N 1 3 333.520 2.729 20 0 EFADHO CCOCC[C@@H](C)[NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1 ZINC001172412755 1286127231 /nfs/dbraw/zinc/12/72/31/1286127231.db2.gz WQRQSMOILOWCKK-GOSISDBHSA-N 1 3 333.520 2.729 20 0 EFADHO CC(C)COCC[C@@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001172463903 1286159128 /nfs/dbraw/zinc/15/91/28/1286159128.db2.gz VTQMRXVSFQOBQU-QGZVFWFLSA-N 1 3 326.525 2.918 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001133966023 1286172438 /nfs/dbraw/zinc/17/24/38/1286172438.db2.gz UFGYVRBAXIIJHC-AWEZNQCLSA-N 1 3 332.275 2.539 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21)N(C)C ZINC001133968244 1286173178 /nfs/dbraw/zinc/17/31/78/1286173178.db2.gz SNCWXBMCEUUSPH-BEFAXECRSA-N 1 3 327.472 2.947 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001133967799 1286173724 /nfs/dbraw/zinc/17/37/24/1286173724.db2.gz DLMHQUAAXHWTJJ-NHYWBVRUSA-N 1 3 329.847 2.586 20 0 EFADHO CC(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)N1CCCCC1)C2 ZINC001094923114 1286182758 /nfs/dbraw/zinc/18/27/58/1286182758.db2.gz NFXSDDRONJMDTH-BZSNNMDCSA-N 1 3 335.536 2.876 20 0 EFADHO CC1CCN(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172662879 1286223365 /nfs/dbraw/zinc/22/33/65/1286223365.db2.gz IVSUIZUKYUNYDQ-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CC1CC[NH+](CCCN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172662879 1286223367 /nfs/dbraw/zinc/22/33/67/1286223367.db2.gz IVSUIZUKYUNYDQ-HXUWFJFHSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172665675 1286237422 /nfs/dbraw/zinc/23/74/22/1286237422.db2.gz MXSYOCSPMJLQGL-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172665676 1286237504 /nfs/dbraw/zinc/23/75/04/1286237504.db2.gz MXSYOCSPMJLQGL-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665204 1286237558 /nfs/dbraw/zinc/23/75/58/1286237558.db2.gz WKMADZGDRPBYKT-CEXWTWQISA-N 1 3 329.488 2.640 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665204 1286237561 /nfs/dbraw/zinc/23/75/61/1286237561.db2.gz WKMADZGDRPBYKT-CEXWTWQISA-N 1 3 329.488 2.640 20 0 EFADHO O=C1C[C@@H](NC2CC[NH+](CC3CC3)CC2)CCN1Cc1ccccc1 ZINC001172664376 1286237650 /nfs/dbraw/zinc/23/76/50/1286237650.db2.gz NKMFIJWHVHQJNB-FQEVSTJZSA-N 1 3 341.499 2.642 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@@H]1CCC[C@H](OC)C1)C2 ZINC001172938608 1286342734 /nfs/dbraw/zinc/34/27/34/1286342734.db2.gz ROVPEMWNROXZFI-YSTOQKLRSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@@H]1CCC[C@H](OC)C1)C2 ZINC001172938608 1286342738 /nfs/dbraw/zinc/34/27/38/1286342738.db2.gz ROVPEMWNROXZFI-YSTOQKLRSA-N 1 3 336.520 2.624 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172971438 1286361879 /nfs/dbraw/zinc/36/18/79/1286361879.db2.gz NTHSFKDGOXSTMW-ZACQAIPSSA-N 1 3 339.524 2.906 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172971438 1286361891 /nfs/dbraw/zinc/36/18/91/1286361891.db2.gz NTHSFKDGOXSTMW-ZACQAIPSSA-N 1 3 339.524 2.906 20 0 EFADHO C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057064 1286394708 /nfs/dbraw/zinc/39/47/08/1286394708.db2.gz LSNUYAVQSFEGDW-BPKGMFCQSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057064 1286394718 /nfs/dbraw/zinc/39/47/18/1286394718.db2.gz LSNUYAVQSFEGDW-BPKGMFCQSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057079 1286395616 /nfs/dbraw/zinc/39/56/16/1286395616.db2.gz LSNUYAVQSFEGDW-OVYGPGRDSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC001173057079 1286395624 /nfs/dbraw/zinc/39/56/24/1286395624.db2.gz LSNUYAVQSFEGDW-OVYGPGRDSA-N 1 3 337.508 2.989 20 0 EFADHO CC(C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062651 1286471982 /nfs/dbraw/zinc/47/19/82/1286471982.db2.gz PITDRFAXZDBGGK-SZMVWBNQSA-N 1 3 329.488 2.739 20 0 EFADHO CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1CN(C)C)C2 ZINC001095062580 1286472152 /nfs/dbraw/zinc/47/21/52/1286472152.db2.gz MTQRLIRMBPQDCW-JQHSSLGASA-N 1 3 329.488 2.741 20 0 EFADHO CC1([NH3+])CCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001173416412 1286563487 /nfs/dbraw/zinc/56/34/87/1286563487.db2.gz YORHMNYLKDSELS-UHFFFAOYSA-N 1 3 335.879 2.758 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccccn1)NC(=O)C(C)(C)N1CCCCC1 ZINC001134369842 1286641656 /nfs/dbraw/zinc/64/16/56/1286641656.db2.gz SRLUSGFXUZAPGF-DLBZAZTESA-N 1 3 346.519 2.719 20 0 EFADHO CCCN1C[C@@H]2C[N@H+](C3CCC4(C[C@@H]4C(=O)OCC)CC3)C[C@@H]2C1 ZINC001173628063 1286720141 /nfs/dbraw/zinc/72/01/41/1286720141.db2.gz RGBDWZDZBHIAPB-SHIAMNQESA-N 1 3 334.504 2.772 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+](C3CCC4(C[C@@H]4C(=O)OCC)CC3)C[C@@H]2C1 ZINC001173628063 1286720147 /nfs/dbraw/zinc/72/01/47/1286720147.db2.gz RGBDWZDZBHIAPB-SHIAMNQESA-N 1 3 334.504 2.772 20 0 EFADHO CCOC(=O)C[C@H]1CC[C@@H](N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC001173666005 1286743672 /nfs/dbraw/zinc/74/36/72/1286743672.db2.gz VHRPFNBXSABBNW-DLBZAZTESA-N 1 3 331.460 2.634 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C(=O)OC)cc3)C[C@@H]2C1 ZINC001173735682 1286770994 /nfs/dbraw/zinc/77/09/94/1286770994.db2.gz QVALLHCCBSWHAQ-LZQZEXGQSA-N 1 3 330.472 2.678 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc(C(=O)OC)cc3)C[C@@H]2C1 ZINC001173735682 1286771004 /nfs/dbraw/zinc/77/10/04/1286771004.db2.gz QVALLHCCBSWHAQ-LZQZEXGQSA-N 1 3 330.472 2.678 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001134583077 1286916929 /nfs/dbraw/zinc/91/69/29/1286916929.db2.gz FJKOKPBKYNWENW-IAGOWNOFSA-N 1 3 331.504 2.852 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]Cc1cccc(F)c1)NC(=O)C1(N(C)C)CCC1 ZINC001134584543 1286918650 /nfs/dbraw/zinc/91/86/50/1286918650.db2.gz UZTVBFULYXKAHL-GJZGRUSLSA-N 1 3 335.467 2.683 20 0 EFADHO COc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001134612004 1286948796 /nfs/dbraw/zinc/94/87/96/1286948796.db2.gz GFHSARGYRASSDW-HZPDHXFCSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001134612182 1286949267 /nfs/dbraw/zinc/94/92/67/1286949267.db2.gz IWXLWEWEGDTPNL-KBPBESRZSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611873 1286949505 /nfs/dbraw/zinc/94/95/05/1286949505.db2.gz CXXZVXCLJFNVKW-JKSUJKDBSA-N 1 3 349.494 2.991 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cs1 ZINC001134612183 1286950129 /nfs/dbraw/zinc/95/01/29/1286950129.db2.gz IWXLWEWEGDTPNL-KGLIPLIRSA-N 1 3 337.533 2.914 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C2CCC2)cc1 ZINC001134608609 1286970651 /nfs/dbraw/zinc/97/06/51/1286970651.db2.gz XPRMTUKDUTWXSO-IRXDYDNUSA-N 1 3 331.504 2.852 20 0 EFADHO COC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170768927 1287109430 /nfs/dbraw/zinc/10/94/30/1287109430.db2.gz AHHYHQZAKSTXSS-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO C[C@@H](CCCC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@H]1CCCN1C ZINC001174705702 1287128317 /nfs/dbraw/zinc/12/83/17/1287128317.db2.gz MLXIOAFSJBQABD-BILBVFMZSA-N 1 3 336.307 2.664 20 0 EFADHO Cc1ccc(CCC[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001134763396 1287159372 /nfs/dbraw/zinc/15/93/72/1287159372.db2.gz XFJIRBUGVHRLHR-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001134763351 1287160246 /nfs/dbraw/zinc/16/02/46/1287160246.db2.gz VKQSZEZJIPELGY-GOSISDBHSA-N 1 3 335.467 2.625 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1C ZINC001134766424 1287163405 /nfs/dbraw/zinc/16/34/05/1287163405.db2.gz HZPNACSZDVGAIZ-LJQANCHMSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1F ZINC001134767329 1287163584 /nfs/dbraw/zinc/16/35/84/1287163584.db2.gz WEDBFKYXJMELST-SFHVURJKSA-N 1 3 335.467 2.603 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001134767171 1287163692 /nfs/dbraw/zinc/16/36/92/1287163692.db2.gz RJSYWHNGYVLFMC-JKSUJKDBSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001134766840 1287163874 /nfs/dbraw/zinc/16/38/74/1287163874.db2.gz NICQXBKDRSRAJH-OALUTQOASA-N 1 3 329.488 2.643 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001134766362 1287164464 /nfs/dbraw/zinc/16/44/64/1287164464.db2.gz GGRCMUQFBZZHAT-CVEARBPZSA-N 1 3 345.478 2.781 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001134769233 1287166560 /nfs/dbraw/zinc/16/65/60/1287166560.db2.gz IOHFSDKJEZXVQY-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H](C)c1ccccc1F ZINC001134769233 1287166565 /nfs/dbraw/zinc/16/65/65/1287166565.db2.gz IOHFSDKJEZXVQY-QAPCUYQASA-N 1 3 335.467 2.855 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134772226 1287169055 /nfs/dbraw/zinc/16/90/55/1287169055.db2.gz AHVVEYJVABOUPZ-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)s1 ZINC001134772226 1287169058 /nfs/dbraw/zinc/16/90/58/1287169058.db2.gz AHVVEYJVABOUPZ-OLZOCXBDSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134772535 1287169739 /nfs/dbraw/zinc/16/97/39/1287169739.db2.gz FSDCMKOFQULRNX-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nc(C)cs1 ZINC001134772535 1287169745 /nfs/dbraw/zinc/16/97/45/1287169745.db2.gz FSDCMKOFQULRNX-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001134772893 1287169762 /nfs/dbraw/zinc/16/97/62/1287169762.db2.gz IVYHDAXRDIARBU-CHWSQXEVSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC001134772895 1287170468 /nfs/dbraw/zinc/17/04/68/1287170468.db2.gz IVYHDAXRDIARBU-QWHCGFSZSA-N 1 3 340.537 2.555 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCc1cccs1 ZINC001134773484 1287171084 /nfs/dbraw/zinc/17/10/84/1287171084.db2.gz PMSFFNNYOWNEJI-LSDHHAIUSA-N 1 3 339.549 2.894 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001134773932 1287171148 /nfs/dbraw/zinc/17/11/48/1287171148.db2.gz RQIFNZPJEPGLIH-QJHSLEFKSA-N 1 3 338.323 2.909 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC/C(Cl)=C/Cl ZINC001134773932 1287171152 /nfs/dbraw/zinc/17/11/52/1287171152.db2.gz RQIFNZPJEPGLIH-QJHSLEFKSA-N 1 3 338.323 2.909 20 0 EFADHO C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2Cc3ccccc3CN2)c1 ZINC000871673326 1287200976 /nfs/dbraw/zinc/20/09/76/1287200976.db2.gz HKALPOBXFHJSFZ-LJQANCHMSA-N 1 3 338.455 2.584 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1nc(C)cs1 ZINC001176277377 1287920474 /nfs/dbraw/zinc/92/04/74/1287920474.db2.gz DGADHJFAXVZFSR-CQSZACIVSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)cc1 ZINC001176279394 1287921518 /nfs/dbraw/zinc/92/15/18/1287921518.db2.gz NJCNSUCSWJCBPC-QGZVFWFLSA-N 1 3 349.519 2.802 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1scnc1C ZINC001176284181 1287922296 /nfs/dbraw/zinc/92/22/96/1287922296.db2.gz CRPYWAHKKZWEGV-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176286789 1287925060 /nfs/dbraw/zinc/92/50/60/1287925060.db2.gz XVFQMIJQPZPARN-AWEZNQCLSA-N 1 3 333.467 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176351096 1287961538 /nfs/dbraw/zinc/96/15/38/1287961538.db2.gz PUBIKZMHWGZKEW-ZDUSSCGKSA-N 1 3 334.489 2.787 20 0 EFADHO CCCN1CCc2c(N)sc(Nc3cnn(CC[NH+](C)C)c3)c2C1 ZINC001176447299 1287986504 /nfs/dbraw/zinc/98/65/04/1287986504.db2.gz UGBLYWYNBPIPQJ-UHFFFAOYSA-N 1 3 348.520 2.600 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+]CCCOc1ccccc1 ZINC001135440567 1288023360 /nfs/dbraw/zinc/02/33/60/1288023360.db2.gz OBDAGVFXZQRJLG-UHFFFAOYSA-N 1 3 349.519 2.673 20 0 EFADHO CC[NH+](CC)[C@@H](C(=O)NCCN[C@@H](C)c1ccccc1F)C(C)C ZINC001135474681 1288024107 /nfs/dbraw/zinc/02/41/07/1288024107.db2.gz XBSOPPYHWCAUSH-MAUKXSAKSA-N 1 3 337.483 2.959 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)NCCNCc1cc(C)ccc1OC)C(C)C ZINC001135474315 1288024557 /nfs/dbraw/zinc/02/45/57/1288024557.db2.gz NEGPUWFVAIMEAH-IBGZPJMESA-N 1 3 349.519 2.576 20 0 EFADHO C[C@H](C[C@H](C)NC(=O)CN1CCC(C)(C)C1)[NH2+]CC1CC(F)(F)C1 ZINC001135475924 1288046465 /nfs/dbraw/zinc/04/64/65/1288046465.db2.gz HBEAFODQGZZBIZ-KGLIPLIRSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@H](C[C@@H](C)[NH2+]CCCCCF)NC(=O)CN1CCC(C)(C)C1 ZINC001135475885 1288046611 /nfs/dbraw/zinc/04/66/11/1288046611.db2.gz GNWMZVDZVQXXMX-HZPDHXFCSA-N 1 3 329.504 2.731 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001135523214 1288060342 /nfs/dbraw/zinc/06/03/42/1288060342.db2.gz BJDGSJQOYLFSDU-MRXNPFEDSA-N 1 3 327.472 2.948 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001135511615 1288068042 /nfs/dbraw/zinc/06/80/42/1288068042.db2.gz VRFPFTBSNJLAAN-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746904 1288093872 /nfs/dbraw/zinc/09/38/72/1288093872.db2.gz PATFBHUOEMEGEG-IAGOWNOFSA-N 1 3 349.519 2.661 20 0 EFADHO COCCC[NH2+]CCCC[C@@H](C)NC(=O)c1ccccc1CN(C)C ZINC001176746389 1288093883 /nfs/dbraw/zinc/09/38/83/1288093883.db2.gz HDCUSSRJFZJBTN-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccccc1F ZINC001176753196 1288119373 /nfs/dbraw/zinc/11/93/73/1288119373.db2.gz CQHATRULPLHCGT-MRXNPFEDSA-N 1 3 337.483 2.931 20 0 EFADHO COc1ccc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)cc1 ZINC001176754430 1288120670 /nfs/dbraw/zinc/12/06/70/1288120670.db2.gz VKISOFSYVCHPKJ-QGZVFWFLSA-N 1 3 349.519 2.800 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176754008 1288120719 /nfs/dbraw/zinc/12/07/19/1288120719.db2.gz PQVHMZRHSACUOJ-OAHLLOKOSA-N 1 3 325.522 2.853 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOC(C)C ZINC001176758892 1288121300 /nfs/dbraw/zinc/12/13/00/1288121300.db2.gz GPRWSLRTGHWGMG-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C ZINC001176758887 1288121423 /nfs/dbraw/zinc/12/14/23/1288121423.db2.gz GPRWSLRTGHWGMG-MSOLQXFVSA-N 1 3 341.540 2.550 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CCCC[NH2+]C/C=C/Cl ZINC001176758408 1288121633 /nfs/dbraw/zinc/12/16/33/1288121633.db2.gz BAMUJJUIYSYFSB-UGTRGGQESA-N 1 3 329.916 2.878 20 0 EFADHO CC(C)CCOCC[NH2+]CCCNC(=O)c1cccc(CN(C)C)c1 ZINC001176889952 1288163566 /nfs/dbraw/zinc/16/35/66/1288163566.db2.gz JCVPLLBHXPTEHA-UHFFFAOYSA-N 1 3 349.519 2.520 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)c1ccc(F)cc1F ZINC001179490554 1289161339 /nfs/dbraw/zinc/16/13/39/1289161339.db2.gz UEAMPDMIEYBZQZ-IGCXYCKISA-N 1 3 339.430 2.557 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001176948024 1288191255 /nfs/dbraw/zinc/19/12/55/1288191255.db2.gz CJBKMDHLTARKNW-LMMKCTJWSA-N 1 3 343.515 2.894 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001176972317 1288201545 /nfs/dbraw/zinc/20/15/45/1288201545.db2.gz WFGNQHRFARVKDU-UHFFFAOYSA-N 1 3 327.419 2.560 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC001176972231 1288201791 /nfs/dbraw/zinc/20/17/91/1288201791.db2.gz RQGCXUVJSNWGAP-ZDUSSCGKSA-N 1 3 343.874 2.976 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC001176972186 1288201953 /nfs/dbraw/zinc/20/19/53/1288201953.db2.gz PZRZNDZQLUNZIY-KRWDZBQOSA-N 1 3 337.895 2.763 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C/C=C\c1ccccc1 ZINC001176986882 1288208021 /nfs/dbraw/zinc/20/80/21/1288208021.db2.gz XOGWMHSJHSBABG-ICEKFOEVSA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001176986490 1288208402 /nfs/dbraw/zinc/20/84/02/1288208402.db2.gz PRGUYVWUYRFKSG-CQSZACIVSA-N 1 3 343.924 2.872 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1C ZINC001176986991 1288208294 /nfs/dbraw/zinc/20/82/94/1288208294.db2.gz YRRGWQNFIGQEHB-GOSISDBHSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F ZINC001176992330 1288217681 /nfs/dbraw/zinc/21/76/81/1288217681.db2.gz MMOFZTXYOBIYCU-CVEARBPZSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC1CCC(F)(F)CC1 ZINC001176992699 1288218087 /nfs/dbraw/zinc/21/80/87/1288218087.db2.gz XVECNTSLRXAXPC-MRXNPFEDSA-N 1 3 345.478 2.782 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001176992204 1288218603 /nfs/dbraw/zinc/21/86/03/1288218603.db2.gz JMTQHOSHFBLJDB-IBGZPJMESA-N 1 3 342.487 2.638 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C ZINC001179534940 1289169048 /nfs/dbraw/zinc/16/90/48/1289169048.db2.gz ZENHOHBWZGYFSC-BQFCYCMXSA-N 1 3 349.544 2.744 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC ZINC001135743672 1288324627 /nfs/dbraw/zinc/32/46/27/1288324627.db2.gz NZCVPBYMPWELPD-IAGOWNOFSA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135743962 1288325385 /nfs/dbraw/zinc/32/53/85/1288325385.db2.gz SMQCRVOBARZGHI-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001135746631 1288327547 /nfs/dbraw/zinc/32/75/47/1288327547.db2.gz IPZLQWUYPVUYMR-JKSUJKDBSA-N 1 3 337.483 2.849 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001135747769 1288328346 /nfs/dbraw/zinc/32/83/46/1288328346.db2.gz UWGNWXZTPFJYHT-CVEARBPZSA-N 1 3 339.549 2.895 20 0 EFADHO C[C@H](F)CC[NH2+]CCCCCCNC(=O)CN1CCC(C)(C)C1 ZINC001179593183 1289193461 /nfs/dbraw/zinc/19/34/61/1289193461.db2.gz ZCEBLIAFEJQIHB-INIZCTEOSA-N 1 3 329.504 2.733 20 0 EFADHO CC(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431315 1288437618 /nfs/dbraw/zinc/43/76/18/1288437618.db2.gz SSWZMHQUYAMBFA-UHFFFAOYSA-N 1 3 334.508 2.997 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000817286132 1288503046 /nfs/dbraw/zinc/50/30/46/1288503046.db2.gz RYXDJISNNRFREO-OAQYLSRUSA-N 1 3 345.531 2.602 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000817286132 1288503050 /nfs/dbraw/zinc/50/30/50/1288503050.db2.gz RYXDJISNNRFREO-OAQYLSRUSA-N 1 3 345.531 2.602 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817286269 1288505382 /nfs/dbraw/zinc/50/53/82/1288505382.db2.gz HHRBDGOZNZZSLO-CQSZACIVSA-N 1 3 334.335 2.672 20 0 EFADHO CCN1CCC([N@H+]2CCCN(C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000817286269 1288505386 /nfs/dbraw/zinc/50/53/86/1288505386.db2.gz HHRBDGOZNZZSLO-CQSZACIVSA-N 1 3 334.335 2.672 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCCCCC[NH2+]C/C(Cl)=C\Cl ZINC001178045022 1288635583 /nfs/dbraw/zinc/63/55/83/1288635583.db2.gz ANTRXEKLAXOWKU-CMPYXILNSA-N 1 3 336.307 2.666 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001135980294 1288705536 /nfs/dbraw/zinc/70/55/36/1288705536.db2.gz NEZGIAPECAYFNM-HOTGVXAUSA-N 1 3 339.549 2.895 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001135981094 1288706677 /nfs/dbraw/zinc/70/66/77/1288706677.db2.gz XVABJSOSJWPABD-DLBZAZTESA-N 1 3 333.520 2.964 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001135981076 1288706733 /nfs/dbraw/zinc/70/67/33/1288706733.db2.gz XGPBWXFKYMNVJE-UONOGXRCSA-N 1 3 339.446 2.934 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001135981215 1288706745 /nfs/dbraw/zinc/70/67/45/1288706745.db2.gz ZPMSKLUUXQHUEY-QZTJIDSGSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001135981117 1288707042 /nfs/dbraw/zinc/70/70/42/1288707042.db2.gz YDKRZMRKNFFKOL-ZWKOTPCHSA-N 1 3 333.520 2.834 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)C1(N(C)C)CCC1 ZINC001178688793 1288870129 /nfs/dbraw/zinc/87/01/29/1288870129.db2.gz NWBSYCIUWDFSDR-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO Cc1cncc(C[NH2+]CCCCCCNC(=O)C2(N(C)C)CCC2)c1 ZINC001178689487 1288872481 /nfs/dbraw/zinc/87/24/81/1288872481.db2.gz ZGBUXSUMUDPMFT-UHFFFAOYSA-N 1 3 346.519 2.641 20 0 EFADHO CN(C)C1(C(=O)NCCCCCC[NH2+]CC2CC(F)(F)C2)CCC1 ZINC001178693056 1288873655 /nfs/dbraw/zinc/87/36/55/1288873655.db2.gz JAUAYJSLFMRBHX-UHFFFAOYSA-N 1 3 345.478 2.782 20 0 EFADHO CN(C)[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001178698896 1288877008 /nfs/dbraw/zinc/87/70/08/1288877008.db2.gz YQALNADPYUZKPD-MRXNPFEDSA-N 1 3 345.478 2.638 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]Cc1ccccc1)C1CCC1 ZINC001178701773 1288877600 /nfs/dbraw/zinc/87/76/00/1288877600.db2.gz DCNGMHWHOWYHEC-UHFFFAOYSA-N 1 3 331.504 2.937 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255207 1312681720 /nfs/dbraw/zinc/68/17/20/1312681720.db2.gz LQCPELKAOLSAOD-PKOBYXMFSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C(C)(C)C)cc3)C2)C1 ZINC001016255207 1312681727 /nfs/dbraw/zinc/68/17/27/1312681727.db2.gz LQCPELKAOLSAOD-PKOBYXMFSA-N 1 3 343.515 2.626 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255713 1312682408 /nfs/dbraw/zinc/68/24/08/1312682408.db2.gz OAZLBZHYKASEMF-HOTGVXAUSA-N 1 3 343.496 2.544 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(Cc3cc4ccccc4s3)C2)C1 ZINC001016255713 1312682413 /nfs/dbraw/zinc/68/24/13/1312682413.db2.gz OAZLBZHYKASEMF-HOTGVXAUSA-N 1 3 343.496 2.544 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1F)N(C)C ZINC001178816230 1288945957 /nfs/dbraw/zinc/94/59/57/1288945957.db2.gz XYUWPBSTTLVCPQ-GOSISDBHSA-N 1 3 337.483 2.932 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1cccc(OC)c1)N(C)C ZINC001178816256 1288946144 /nfs/dbraw/zinc/94/61/44/1288946144.db2.gz ZDBQDCRHHMCIIL-LJQANCHMSA-N 1 3 349.519 2.802 20 0 EFADHO CSc1cc(C)c(CN2CCN(CC3CC[NH+](C)CC3)CC2)cn1 ZINC001232351820 1312684383 /nfs/dbraw/zinc/68/43/83/1312684383.db2.gz OOSWRARISATCPT-UHFFFAOYSA-N 1 3 348.560 2.571 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H]1C ZINC001179538698 1289182559 /nfs/dbraw/zinc/18/25/59/1289182559.db2.gz GZTLZRDGNHSGLY-BXWFABGCSA-N 1 3 339.499 2.744 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C)N(C)C ZINC001179546209 1289185587 /nfs/dbraw/zinc/18/55/87/1289185587.db2.gz FUCHUXBYULXXCD-WDSOQIARSA-N 1 3 331.504 2.538 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001179550536 1289186290 /nfs/dbraw/zinc/18/62/90/1289186290.db2.gz YZNWONQZDTVBLO-YJBOKZPZSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C)N(C)C ZINC001179554015 1289187324 /nfs/dbraw/zinc/18/73/24/1289187324.db2.gz KOXFEHRPPLIQIU-XIRDDKMYSA-N 1 3 337.533 2.600 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H]1C)N(C)C ZINC001179553949 1289187393 /nfs/dbraw/zinc/18/73/93/1289187393.db2.gz HILIQNVUYASGMR-SNRMKQJTSA-N 1 3 349.494 2.678 20 0 EFADHO CC(C)[NH2+]CCCCCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001179589774 1289190953 /nfs/dbraw/zinc/19/09/53/1289190953.db2.gz BFQQIPYOJWXVKY-GOSISDBHSA-N 1 3 329.504 2.874 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCCCCC[NH2+]CCC(F)(F)F)C1 ZINC001179586847 1289190025 /nfs/dbraw/zinc/19/00/25/1289190025.db2.gz UJLMRPDVIIEERL-AWEZNQCLSA-N 1 3 337.430 2.547 20 0 EFADHO CC[C@H](F)C[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592577 1289193319 /nfs/dbraw/zinc/19/33/19/1289193319.db2.gz HVNUNCQLXJGPJZ-INIZCTEOSA-N 1 3 331.520 2.979 20 0 EFADHO CC[C@@H](F)C[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592578 1289193481 /nfs/dbraw/zinc/19/34/81/1289193481.db2.gz HVNUNCQLXJGPJZ-MRXNPFEDSA-N 1 3 331.520 2.979 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CCOc1ccccc1)N(C)C ZINC001179609097 1289198264 /nfs/dbraw/zinc/19/82/64/1289198264.db2.gz HDWHXPFVCQHAEF-IBGZPJMESA-N 1 3 349.519 2.672 20 0 EFADHO COC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001179746145 1289256984 /nfs/dbraw/zinc/25/69/84/1289256984.db2.gz PGFWIMJREUPZOU-ROUUACIJSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2C)[C@@H]1C ZINC001179763899 1289262008 /nfs/dbraw/zinc/26/20/08/1289262008.db2.gz PNJJFTIVQGVOPD-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1CCN(C(=O)CN(CC)CC)[C@H]1C ZINC001179763007 1289262105 /nfs/dbraw/zinc/26/21/05/1289262105.db2.gz FQYKSNUFDHJXPF-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)[C@@H]1C ZINC001179763352 1289262251 /nfs/dbraw/zinc/26/22/51/1289262251.db2.gz IRADHVGDIMOQQD-ICSRJNTNSA-N 1 3 345.531 2.930 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN(CC)CC)[C@H]2C)c1 ZINC001179764266 1289262389 /nfs/dbraw/zinc/26/23/89/1289262389.db2.gz WOSSYGIQBMEJGI-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2ccc(C)cc2)[C@@H]1C ZINC001179763675 1289262559 /nfs/dbraw/zinc/26/25/59/1289262559.db2.gz OIUJTTIRTSZHDE-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(CC)CC)[C@H]2C)cc1 ZINC001179766596 1289264351 /nfs/dbraw/zinc/26/43/51/1289264351.db2.gz UTOWGKDTMXEPGK-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001179982921 1289349959 /nfs/dbraw/zinc/34/99/59/1289349959.db2.gz HVAGLUGCPQGRAI-JVPBZIDWSA-N 1 3 347.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)[C@@H]1C ZINC001179982953 1289350831 /nfs/dbraw/zinc/35/08/31/1289350831.db2.gz IJQCOFCWTIVXQD-VKJFTORMSA-N 1 3 335.467 2.808 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCc2ccc(CC)cc2)[C@@H]1C ZINC001179983267 1289352233 /nfs/dbraw/zinc/35/22/33/1289352233.db2.gz SNQORSLUTBCMMA-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)[C@@H]1C ZINC001179987423 1289354344 /nfs/dbraw/zinc/35/43/44/1289354344.db2.gz WBILSUNQMLQNBQ-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO c1cc2c[nH+]c(N3CCCn4cnc(CNC5CCC5)c4C3)cc2[nH]1 ZINC001165908989 1312703062 /nfs/dbraw/zinc/70/30/62/1312703062.db2.gz SPUUCHKWOGETFE-UHFFFAOYSA-N 1 3 336.443 2.812 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001180121482 1289424561 /nfs/dbraw/zinc/42/45/61/1289424561.db2.gz RAWPYKALHMHYRK-UHFFFAOYSA-N 1 3 337.483 2.934 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1ccsc1 ZINC001180123291 1289426322 /nfs/dbraw/zinc/42/63/22/1289426322.db2.gz FTPZPKCAEGDHLS-UHFFFAOYSA-N 1 3 325.522 2.856 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)[C@@H]1C ZINC001180226707 1289451157 /nfs/dbraw/zinc/45/11/57/1289451157.db2.gz HLZGKHNQFKLOJJ-JXFKEZNVSA-N 1 3 343.515 2.983 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1F ZINC001180226593 1289451226 /nfs/dbraw/zinc/45/12/26/1289451226.db2.gz CBWMKCQJXJUOSE-YJBOKZPZSA-N 1 3 335.467 2.553 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)C1 ZINC001180260412 1289468587 /nfs/dbraw/zinc/46/85/87/1289468587.db2.gz YNJOCDPHUWSVJA-PCRWRXJSSA-N 1 3 336.307 2.523 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCCCCCCNC/C(Cl)=C\Cl)C1 ZINC001180260412 1289468582 /nfs/dbraw/zinc/46/85/82/1289468582.db2.gz YNJOCDPHUWSVJA-PCRWRXJSSA-N 1 3 336.307 2.523 20 0 EFADHO CO[C@H](C)C[NH2+]CCCCCCNC(=O)c1ccccc1CN(C)C ZINC001180365953 1289514195 /nfs/dbraw/zinc/51/41/95/1289514195.db2.gz QENYUAARNPVOBH-QGZVFWFLSA-N 1 3 349.519 2.663 20 0 EFADHO CC(C)N(C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1F ZINC001180369369 1289516233 /nfs/dbraw/zinc/51/62/33/1289516233.db2.gz AYFQYCBDDOAHPG-UHFFFAOYSA-N 1 3 337.483 2.932 20 0 EFADHO O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cccc3ncccc23)CC1 ZINC000873081141 1289558241 /nfs/dbraw/zinc/55/82/41/1289558241.db2.gz ZHQXLLCUUJZMAZ-VQTJNVASSA-N 1 3 325.456 2.702 20 0 EFADHO C[C@@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC001180578367 1289560148 /nfs/dbraw/zinc/56/01/48/1289560148.db2.gz GNHAUZKFMGRKBD-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC001180578367 1289560157 /nfs/dbraw/zinc/56/01/57/1289560157.db2.gz GNHAUZKFMGRKBD-INIZCTEOSA-N 1 3 347.478 2.733 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001166009954 1312717227 /nfs/dbraw/zinc/71/72/27/1312717227.db2.gz DPNFSEYMKCATNT-QZTJIDSGSA-N 1 3 337.483 2.959 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001166009955 1312717417 /nfs/dbraw/zinc/71/74/17/1312717417.db2.gz DPNFSEYMKCATNT-ZWKOTPCHSA-N 1 3 337.483 2.959 20 0 EFADHO c1c(CN2CCC(OC[C@@H]3CCCO3)CC2)sc2c1C[NH2+]CC2 ZINC000873204946 1289642049 /nfs/dbraw/zinc/64/20/49/1289642049.db2.gz JPXBFARDLRBIEL-INIZCTEOSA-N 1 3 336.501 2.554 20 0 EFADHO c1cnn(Cc2cccc(CNCc3cc4c(s3)CC[NH2+]C4)c2)c1 ZINC000873211940 1289645667 /nfs/dbraw/zinc/64/56/67/1289645667.db2.gz UFEAVCHHCQZTPJ-UHFFFAOYSA-N 1 3 338.480 2.928 20 0 EFADHO CC(C)[C@H](CN)C[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211014 1289645780 /nfs/dbraw/zinc/64/57/80/1289645780.db2.gz GYBZWBFPDNKEBJ-XHSDSOJGSA-N 1 3 327.513 2.700 20 0 EFADHO CC(C)[C@H](CN)C[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211014 1289645791 /nfs/dbraw/zinc/64/57/91/1289645791.db2.gz GYBZWBFPDNKEBJ-XHSDSOJGSA-N 1 3 327.513 2.700 20 0 EFADHO COCCOc1ccc(CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873211913 1289646170 /nfs/dbraw/zinc/64/61/70/1289646170.db2.gz HAHJZTYMSLSDGX-UHFFFAOYSA-N 1 3 332.469 2.709 20 0 EFADHO c1c(CNc2ccc([C@H]3CNCCO3)cc2)sc2c1C[NH2+]CC2 ZINC000873212754 1289646461 /nfs/dbraw/zinc/64/64/61/1289646461.db2.gz RESIVNLTJCPGMC-QGZVFWFLSA-N 1 3 329.469 2.667 20 0 EFADHO Cn1cc([C@@H](NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(F)c2)cn1 ZINC000873265666 1289691083 /nfs/dbraw/zinc/69/10/83/1289691083.db2.gz WTKVBENMDPSTMG-PZGXJPJSSA-N 1 3 328.435 2.769 20 0 EFADHO C[C@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000873292473 1289707666 /nfs/dbraw/zinc/70/76/66/1289707666.db2.gz ROWLRFGKTVGUCX-LPHOPBHVSA-N 1 3 340.471 2.682 20 0 EFADHO CC(C)=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441082 1289807504 /nfs/dbraw/zinc/80/75/04/1289807504.db2.gz LBEHHPQCMAARFV-WSTZPKSXSA-N 1 3 335.536 2.900 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CCC2)C1 ZINC001181670994 1289896016 /nfs/dbraw/zinc/89/60/16/1289896016.db2.gz GORKCJHYMIUQIU-YVWKXTFCSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C/Cl)C1 ZINC001181672595 1289897672 /nfs/dbraw/zinc/89/76/72/1289897672.db2.gz XYONAMUXYCKOML-ZECHFRALSA-N 1 3 341.927 2.688 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001181674215 1289898991 /nfs/dbraw/zinc/89/89/91/1289898991.db2.gz MNGUARNTZSRCAO-MSOLQXFVSA-N 1 3 349.906 2.557 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]1(C)CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001181745629 1289927212 /nfs/dbraw/zinc/92/72/12/1289927212.db2.gz IOYBNYWOLGTVJB-WIDBLJPWSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CCCCCF ZINC001181735925 1289936676 /nfs/dbraw/zinc/93/66/76/1289936676.db2.gz DHKKSRKRMNQSSB-VQIMIIECSA-N 1 3 341.515 2.685 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001181884688 1289989756 /nfs/dbraw/zinc/98/97/56/1289989756.db2.gz JHFKXGVWNYPHLI-WRWLIDTKSA-N 1 3 337.552 2.837 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)(C)C)C1)N(C)C ZINC001181884987 1289990210 /nfs/dbraw/zinc/99/02/10/1289990210.db2.gz OBGTYVATXJUFNW-GPMSIDNRSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001181941168 1290007182 /nfs/dbraw/zinc/00/71/82/1290007182.db2.gz ADDXRZGUPFYKCQ-VQIMIIECSA-N 1 3 325.541 2.837 20 0 EFADHO CN(Cc1c(Cl)c2ccccc2n(C)c1=O)CC1CC[NH+](C)CC1 ZINC001232642910 1312750346 /nfs/dbraw/zinc/75/03/46/1312750346.db2.gz YLDBVIITKNTDJP-UHFFFAOYSA-N 1 3 347.890 2.966 20 0 EFADHO Cc1cc(CN2CC[C@@]3(C2)CCCN(c2cc[nH+]cc2)C3)n(C)n1 ZINC001277696082 1312754115 /nfs/dbraw/zinc/75/41/15/1312754115.db2.gz HTNOWHJCDQOQRC-LJQANCHMSA-N 1 3 325.460 2.616 20 0 EFADHO Cc1nc(CN(C)CC2CC[NH+](C)CC2)ccc1Br ZINC001232667180 1312755754 /nfs/dbraw/zinc/75/57/54/1312755754.db2.gz PTDXBKGVTQMVDA-UHFFFAOYSA-N 1 3 326.282 2.926 20 0 EFADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001182623296 1290225974 /nfs/dbraw/zinc/22/59/74/1290225974.db2.gz GUWGQIRKPGXVIS-YLJYHZDGSA-N 1 3 337.552 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@]1(C)C[NH2+]CC1CCC1 ZINC001182623294 1290226277 /nfs/dbraw/zinc/22/62/77/1290226277.db2.gz GPZFRXQTPFRPBU-OXQOHEQNSA-N 1 3 337.552 2.839 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001182623177 1290226907 /nfs/dbraw/zinc/22/69/07/1290226907.db2.gz FSOJBLBZFDADBY-JTDSTZFVSA-N 1 3 343.531 2.787 20 0 EFADHO CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001182932615 1290281916 /nfs/dbraw/zinc/28/19/16/1290281916.db2.gz CEHBOOMGDRRRBT-IEBWSBKVSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001182934121 1290282003 /nfs/dbraw/zinc/28/20/03/1290282003.db2.gz QPRYBKCYPJITSY-YLJYHZDGSA-N 1 3 349.563 2.983 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001182982836 1290289144 /nfs/dbraw/zinc/28/91/44/1290289144.db2.gz UZYZJDKCINYBAC-RTBURBONSA-N 1 3 349.494 2.619 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)CN(CC)CC)C2)c1 ZINC001182981731 1290289598 /nfs/dbraw/zinc/28/95/98/1290289598.db2.gz JMTUCSMFCAXFDO-MOPGFXCFSA-N 1 3 349.494 2.619 20 0 EFADHO Cc1ccc(CCC[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001183288404 1290322919 /nfs/dbraw/zinc/32/29/19/1290322919.db2.gz FWWIZKWQIIXSHZ-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C/C=C\Cl)C1 ZINC001183516920 1290353201 /nfs/dbraw/zinc/35/32/01/1290353201.db2.gz FRALOVVPGQRQDV-NMBXAAEDSA-N 1 3 341.927 2.688 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001183517067 1290353284 /nfs/dbraw/zinc/35/32/84/1290353284.db2.gz NENRKSSGMGCDDY-YLJYHZDGSA-N 1 3 349.563 2.981 20 0 EFADHO CCC(CC)C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183517024 1290353645 /nfs/dbraw/zinc/35/36/45/1290353645.db2.gz LECNJNXMQXBLQU-VQIMIIECSA-N 1 3 325.541 2.837 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000874844284 1290390412 /nfs/dbraw/zinc/39/04/12/1290390412.db2.gz REMZWXLSWLZKHJ-VQTJNVASSA-N 1 3 341.499 2.594 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001183827272 1290397190 /nfs/dbraw/zinc/39/71/90/1290397190.db2.gz XVEOSEJCDBKWMN-LSDHHAIUSA-N 1 3 327.488 2.578 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827272 1290397203 /nfs/dbraw/zinc/39/72/03/1290397203.db2.gz XVEOSEJCDBKWMN-LSDHHAIUSA-N 1 3 327.488 2.578 20 0 EFADHO COc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903508259 1312787854 /nfs/dbraw/zinc/78/78/54/1312787854.db2.gz ACCJSRALSUFIHM-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508259 1312787858 /nfs/dbraw/zinc/78/78/58/1312787858.db2.gz ACCJSRALSUFIHM-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508259 1312787862 /nfs/dbraw/zinc/78/78/62/1312787862.db2.gz ACCJSRALSUFIHM-HDICACEKSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903508694 1312788660 /nfs/dbraw/zinc/78/86/60/1312788660.db2.gz QSZJADRVNJFGQV-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)c1 ZINC000903508694 1312788663 /nfs/dbraw/zinc/78/86/63/1312788663.db2.gz QSZJADRVNJFGQV-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO COc1ccc(Cl)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)c1 ZINC000903508694 1312788665 /nfs/dbraw/zinc/78/86/65/1312788665.db2.gz QSZJADRVNJFGQV-CALCHBBNSA-N 1 3 349.906 2.749 20 0 EFADHO C[NH+]1CCC(C2CCN(Cc3ccc(C(C)(C)O)nc3)CC2)CC1 ZINC001232829090 1312789369 /nfs/dbraw/zinc/78/93/69/1312789369.db2.gz HORHEKZJLQPZNH-UHFFFAOYSA-N 1 3 331.504 2.863 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1C[NH2+]C/C=C/Cl ZINC001185168054 1290606805 /nfs/dbraw/zinc/60/68/05/1290606805.db2.gz FTSJYKTUXDQPMM-KEMBLGFASA-N 1 3 341.927 2.545 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001185168489 1290606886 /nfs/dbraw/zinc/60/68/86/1290606886.db2.gz HGGUDUILZREOFN-SJORKVTESA-N 1 3 325.541 2.695 20 0 EFADHO CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001185167162 1290607322 /nfs/dbraw/zinc/60/73/22/1290607322.db2.gz COYSNAKMOLOOSZ-QZTJIDSGSA-N 1 3 335.536 2.759 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1C[NH2+]C/C=C/Cl ZINC001185171462 1290609104 /nfs/dbraw/zinc/60/91/04/1290609104.db2.gz VZMQCMJUFUCVOK-DODUIYEKSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1C[NH2+]C/C=C/Cl ZINC001185171461 1290609319 /nfs/dbraw/zinc/60/93/19/1290609319.db2.gz VZMQCMJUFUCVOK-CGMDNHBQSA-N 1 3 343.943 2.791 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1Cl ZINC001185212791 1290620461 /nfs/dbraw/zinc/62/04/61/1290620461.db2.gz DCIRDMZRLWTDPX-LSDHHAIUSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001185213620 1290622773 /nfs/dbraw/zinc/62/27/73/1290622773.db2.gz DWEKKUXYXZUTSO-FUHWJXTLSA-N 1 3 344.503 2.917 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001185361136 1290650820 /nfs/dbraw/zinc/65/08/20/1290650820.db2.gz UYQRQADWJDOYKH-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)[C@H](C)C1 ZINC001185360797 1290651584 /nfs/dbraw/zinc/65/15/84/1290651584.db2.gz PSWGEJHOBQBREY-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CN1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001232862273 1312798602 /nfs/dbraw/zinc/79/86/02/1312798602.db2.gz LLWBYIVCFTWCFC-INIZCTEOSA-N 1 3 349.276 2.853 20 0 EFADHO CN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc(Br)ncc34)C2)C1 ZINC001232862273 1312798605 /nfs/dbraw/zinc/79/86/05/1312798605.db2.gz LLWBYIVCFTWCFC-INIZCTEOSA-N 1 3 349.276 2.853 20 0 EFADHO CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185382327 1290663041 /nfs/dbraw/zinc/66/30/41/1290663041.db2.gz ZCQXKVNZEHNTRD-RBUKOAKNSA-N 1 3 337.552 2.839 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001037158223 1290678827 /nfs/dbraw/zinc/67/88/27/1290678827.db2.gz SFGOCMODBYJXAG-IAGOWNOFSA-N 1 3 332.492 2.715 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)[C@@H](C)C1 ZINC001185549695 1290706051 /nfs/dbraw/zinc/70/60/51/1290706051.db2.gz RIQSBPBJUSCPCK-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)[C@@H](C)C1 ZINC001185547202 1290718342 /nfs/dbraw/zinc/71/83/42/1290718342.db2.gz FYYAPELHGNOAGF-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001185547780 1290718586 /nfs/dbraw/zinc/71/85/86/1290718586.db2.gz JOYHQQXJCAJQDU-HKUYNNGSSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC001185546768 1290718620 /nfs/dbraw/zinc/71/86/20/1290718620.db2.gz CSVVTVMZJSRYHE-DLBZAZTESA-N 1 3 325.541 2.839 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)CN2CCC[C@H]2C)c1 ZINC001166627647 1312806613 /nfs/dbraw/zinc/80/66/13/1312806613.db2.gz YKTWFJPMHUMLQP-MSOLQXFVSA-N 1 3 331.504 2.945 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166626093 1312805953 /nfs/dbraw/zinc/80/59/53/1312805953.db2.gz ALRJOPIALBYKMJ-GOSISDBHSA-N 1 3 331.504 2.508 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001166626978 1312806337 /nfs/dbraw/zinc/80/63/37/1312806337.db2.gz NIWZGJRDFLLJSR-AWEZNQCLSA-N 1 3 339.430 2.704 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccccc1C1CC1 ZINC001166626800 1312806359 /nfs/dbraw/zinc/80/63/59/1312806359.db2.gz JLQNTOLLYLVXLE-INIZCTEOSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C(C)C)C[C@@H]2C)c1 ZINC001185752870 1290764472 /nfs/dbraw/zinc/76/44/72/1290764472.db2.gz VSRBXVHESYYWTD-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1 ZINC001166633395 1312808393 /nfs/dbraw/zinc/80/83/93/1312808393.db2.gz FITUIWAQKREIBK-KRWDZBQOSA-N 1 3 331.504 2.890 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001166633864 1312808497 /nfs/dbraw/zinc/80/84/97/1312808497.db2.gz LUYMYTYVIBFDOY-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1cc(F)ccc1F ZINC001166644783 1312809837 /nfs/dbraw/zinc/80/98/37/1312809837.db2.gz HTCHHDDAWRHCAW-KBPBESRZSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccccc1Cl ZINC001166646084 1312810386 /nfs/dbraw/zinc/81/03/86/1312810386.db2.gz XYKYNHJOOIQNBI-LSDHHAIUSA-N 1 3 337.895 2.981 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)cc1F ZINC001166646042 1312810578 /nfs/dbraw/zinc/81/05/78/1312810578.db2.gz XPNNSNFNDJJIES-ZIAGYGMSSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccccc1Cl ZINC001166646082 1312810638 /nfs/dbraw/zinc/81/06/38/1312810638.db2.gz XYKYNHJOOIQNBI-HUUCEWRRSA-N 1 3 337.895 2.981 20 0 EFADHO CCCc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1 ZINC001166626887 1312806779 /nfs/dbraw/zinc/80/67/79/1312806779.db2.gz LNZVFYBXBBYOPI-QGZVFWFLSA-N 1 3 331.504 2.719 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1ccc(F)c(F)c1 ZINC001166627013 1312806954 /nfs/dbraw/zinc/80/69/54/1312806954.db2.gz NYYYIADJMYVDFF-ZIAGYGMSSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2cccc3ccccc32)C1 ZINC001166667871 1312814907 /nfs/dbraw/zinc/81/49/07/1312814907.db2.gz KAWIXNXUOQAVBE-QGZVFWFLSA-N 1 3 339.483 2.778 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC001166677554 1312816970 /nfs/dbraw/zinc/81/69/70/1312816970.db2.gz JXUCQIVQRRLNTQ-SJORKVTESA-N 1 3 343.515 2.674 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1ccccc1Cl ZINC001166677818 1312817188 /nfs/dbraw/zinc/81/71/88/1312817188.db2.gz NQDZWLWWUFNVQX-LSDHHAIUSA-N 1 3 337.895 2.839 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001166677225 1312817267 /nfs/dbraw/zinc/81/72/67/1312817267.db2.gz HNCMXPRCVSVKER-QAPCUYQASA-N 1 3 335.467 2.715 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC/C=C\c2ccccc2)C1 ZINC001166678415 1312817576 /nfs/dbraw/zinc/81/75/76/1312817576.db2.gz VBSMSEPUBGFICD-CXKPLTABSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CC[C@@H](C)C2)c(Cl)c1 ZINC001166678144 1312817782 /nfs/dbraw/zinc/81/77/82/1312817782.db2.gz TYTNVMRPVKJGHV-OAHLLOKOSA-N 1 3 337.895 2.586 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CCc2ccccc2)C1 ZINC001166687195 1312820640 /nfs/dbraw/zinc/82/06/40/1312820640.db2.gz ILHZLWMMLBDESB-HXUWFJFHSA-N 1 3 349.494 2.538 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC001186488201 1290963293 /nfs/dbraw/zinc/96/32/93/1290963293.db2.gz NWVLRWVHTMEOLE-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CCOC(=O)N1CCC(C)(CN2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000876771167 1291017324 /nfs/dbraw/zinc/01/73/24/1291017324.db2.gz NRUOUJRKMMBBHC-QGZVFWFLSA-N 1 3 339.524 2.909 20 0 EFADHO CN(C)CCN1c2ccccc2C2(CC[NH+](CC(C)(C)C)CC2)C1=O ZINC001273532113 1291056906 /nfs/dbraw/zinc/05/69/06/1291056906.db2.gz FXLCAUZPPLNGDJ-UHFFFAOYSA-N 1 3 343.515 2.975 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203650990 1291059052 /nfs/dbraw/zinc/05/90/52/1291059052.db2.gz KRYCYHNUXKIDFO-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001166743999 1312832416 /nfs/dbraw/zinc/83/24/16/1312832416.db2.gz CJONKWIHUDVNDN-GOSISDBHSA-N 1 3 331.504 2.748 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001166736406 1312831433 /nfs/dbraw/zinc/83/14/33/1312831433.db2.gz JZOYCMRCSQZQRT-GOSISDBHSA-N 1 3 347.478 2.641 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001166736420 1312831632 /nfs/dbraw/zinc/83/16/32/1312831632.db2.gz KRWRUIOARCNLHT-GOSISDBHSA-N 1 3 347.478 2.641 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+]C[C@H]2CCCN(C(C)C)C2)CC1 ZINC000877019638 1291108732 /nfs/dbraw/zinc/10/87/32/1291108732.db2.gz BHKJBDPLOHWKED-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001166736649 1312832270 /nfs/dbraw/zinc/83/22/70/1312832270.db2.gz PPFOLGKMGTYMFA-UHFFFAOYSA-N 1 3 343.515 2.503 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744077 1312832819 /nfs/dbraw/zinc/83/28/19/1312832819.db2.gz GQKHUVGTQLYSQY-UHFFFAOYSA-N 1 3 337.483 2.708 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccc(Cl)s2)C1 ZINC001166744213 1312833107 /nfs/dbraw/zinc/83/31/07/1312833107.db2.gz MBGADDFIIVYARK-UHFFFAOYSA-N 1 3 343.924 2.729 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c(C)c1 ZINC001166744121 1312833212 /nfs/dbraw/zinc/83/32/12/1312833212.db2.gz INWSGHVSSVZQLF-UHFFFAOYSA-N 1 3 333.520 2.877 20 0 EFADHO CCc1cccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166744543 1312833318 /nfs/dbraw/zinc/83/33/18/1312833318.db2.gz ZGIUVTWTBUKEMR-UHFFFAOYSA-N 1 3 333.520 2.823 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166744395 1312833414 /nfs/dbraw/zinc/83/34/14/1312833414.db2.gz VCUZNPHMVASPSU-UHFFFAOYSA-N 1 3 333.520 2.877 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC000877073391 1291125527 /nfs/dbraw/zinc/12/55/27/1291125527.db2.gz JMBISSVYKLUURP-HZPDHXFCSA-N 1 3 325.497 2.707 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C/C=C/c2ccc(Cl)cc2)C1 ZINC001187322149 1291143728 /nfs/dbraw/zinc/14/37/28/1291143728.db2.gz LLDLWQHZCBUTMB-SHCNBLLESA-N 1 3 349.906 2.886 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCc3ccccc32)C1 ZINC001187321953 1291144732 /nfs/dbraw/zinc/14/47/32/1291144732.db2.gz JJAHWAWJKWYLEO-RTBURBONSA-N 1 3 343.515 2.639 20 0 EFADHO CC(C)(C)OC(=O)NCC1(C[NH2+]CCCN2CCCC2)CCC1 ZINC000877143141 1291144803 /nfs/dbraw/zinc/14/48/03/1291144803.db2.gz FTULIXBGTCEIEF-UHFFFAOYSA-N 1 3 325.497 2.757 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1cccc(F)c1 ZINC001166750652 1312835273 /nfs/dbraw/zinc/83/52/73/1312835273.db2.gz KESOQVYQXMOUCC-OAHLLOKOSA-N 1 3 337.483 2.961 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCCCC(F)(F)F)C1 ZINC001166765310 1312838429 /nfs/dbraw/zinc/83/84/29/1312838429.db2.gz XCRQGEUFQYOUQN-UHFFFAOYSA-N 1 3 337.430 2.547 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001166764884 1312838737 /nfs/dbraw/zinc/83/87/37/1312838737.db2.gz MIIBMEPXYYOVCK-UHFFFAOYSA-N 1 3 343.515 2.892 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001187857126 1291250733 /nfs/dbraw/zinc/25/07/33/1291250733.db2.gz JLZNLBBOERQSQA-RCCFBDPRSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001187857126 1291250740 /nfs/dbraw/zinc/25/07/40/1291250740.db2.gz JLZNLBBOERQSQA-RCCFBDPRSA-N 1 3 339.499 2.532 20 0 EFADHO CCOc1cccc(F)c1CN(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877526294 1291260272 /nfs/dbraw/zinc/26/02/72/1291260272.db2.gz REMFMIPPXRUGSP-KRWDZBQOSA-N 1 3 349.494 2.825 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001188139590 1291316816 /nfs/dbraw/zinc/31/68/16/1291316816.db2.gz PPALERBMIYRJML-HUUCEWRRSA-N 1 3 349.441 2.784 20 0 EFADHO CCN(C(=O)C12CC[NH+](CC1)C2)C1CN(CC2CCCCCC2)C1 ZINC000957278234 1291319571 /nfs/dbraw/zinc/31/95/71/1291319571.db2.gz GYKPRMJENBHVIY-UHFFFAOYSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C(C)C)C1)c1ccc(F)cc1 ZINC001188158292 1291333941 /nfs/dbraw/zinc/33/39/41/1291333941.db2.gz KGQQSBYPMKMSKT-QZTJIDSGSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1 ZINC001188158200 1291334226 /nfs/dbraw/zinc/33/42/26/1291334226.db2.gz GVLWRIUAGGIXMS-HXUWFJFHSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)[C@H](CC)N(C)C)c1ccc(F)cc1F ZINC001166852744 1312853730 /nfs/dbraw/zinc/85/37/30/1312853730.db2.gz VXQBLLMKKBRIII-IRXDYDNUSA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001166851794 1312853742 /nfs/dbraw/zinc/85/37/42/1312853742.db2.gz HMVWUKYQHAYXGV-LRDDRELGSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl)N(C)C ZINC001166852271 1312853781 /nfs/dbraw/zinc/85/37/81/1312853781.db2.gz OCVQGCBLALYNHD-BBRMVZONSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1F)N(C)C ZINC001166858302 1312855483 /nfs/dbraw/zinc/85/54/83/1312855483.db2.gz OQMQIWCDLAKNOH-WFASDCNBSA-N 1 3 343.874 2.976 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001166866685 1312856657 /nfs/dbraw/zinc/85/66/57/1312856657.db2.gz QPHMPRUPJTVIIE-BEFAXECRSA-N 1 3 331.504 2.672 20 0 EFADHO Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCCN(c1cncn1C)C2 ZINC001277765883 1312861889 /nfs/dbraw/zinc/86/18/89/1312861889.db2.gz VMHFDYUHTBWPFC-KRWDZBQOSA-N 1 3 331.489 2.678 20 0 EFADHO Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCCN(c1cncn1C)C2 ZINC001277765883 1312861892 /nfs/dbraw/zinc/86/18/92/1312861892.db2.gz VMHFDYUHTBWPFC-KRWDZBQOSA-N 1 3 331.489 2.678 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21)N(CC)CC ZINC001189109987 1291571174 /nfs/dbraw/zinc/57/11/74/1291571174.db2.gz ICHLIJTUMPNRBS-RCCFBDPRSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21)N(CC)CC ZINC001189109987 1291571181 /nfs/dbraw/zinc/57/11/81/1291571181.db2.gz ICHLIJTUMPNRBS-RCCFBDPRSA-N 1 3 341.515 2.779 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001189389348 1291695142 /nfs/dbraw/zinc/69/51/42/1291695142.db2.gz JHPMPVLJBJHPKU-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001189389348 1291695149 /nfs/dbraw/zinc/69/51/49/1291695149.db2.gz JHPMPVLJBJHPKU-LQGOSWMKSA-N 1 3 341.499 2.717 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000957517356 1291697427 /nfs/dbraw/zinc/69/74/27/1291697427.db2.gz OQYTTZZVIIDFIP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1c[nH]c(=O)c(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001233191140 1312876758 /nfs/dbraw/zinc/87/67/58/1312876758.db2.gz MWJVIPNLAAEOCM-HZPDHXFCSA-N 1 3 329.469 2.721 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000878712250 1291764862 /nfs/dbraw/zinc/76/48/62/1291764862.db2.gz WZWKJLFVIBFEPT-UXHICEINSA-N 1 3 343.515 2.855 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](C/C=C\Cl)CC2)N(C)C ZINC000957569211 1291781288 /nfs/dbraw/zinc/78/12/88/1291781288.db2.gz ZXOAXWFIFKECMG-MGDKSHQASA-N 1 3 341.927 2.784 20 0 EFADHO C[NH+](C)CCNC(=O)C1CCN([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000795947858 1291786506 /nfs/dbraw/zinc/78/65/06/1291786506.db2.gz FRPNWRVRNKSJFR-SFHVURJKSA-N 1 3 349.906 2.717 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001189669594 1291794110 /nfs/dbraw/zinc/79/41/10/1291794110.db2.gz XGYHNPMGIQRYLN-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21 ZINC001189669594 1291794116 /nfs/dbraw/zinc/79/41/16/1291794116.db2.gz XGYHNPMGIQRYLN-HHXXYDBFSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(CC2)CC[NH+](CC2CCC2)CC3)C1 ZINC000957605474 1291860574 /nfs/dbraw/zinc/86/05/74/1291860574.db2.gz DSJZGFVXWLEOAC-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC000957612084 1291877581 /nfs/dbraw/zinc/87/75/81/1291877581.db2.gz IOKANFIGNXXBLS-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465939 1312890277 /nfs/dbraw/zinc/89/02/77/1312890277.db2.gz XOPFOKXHWDLHMT-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465939 1312890280 /nfs/dbraw/zinc/89/02/80/1312890280.db2.gz XOPFOKXHWDLHMT-OTWHNJEPSA-N 1 3 335.536 2.971 20 0 EFADHO NC(=O)[C@H](F)C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000879041421 1291939695 /nfs/dbraw/zinc/93/96/95/1291939695.db2.gz PBRMMTZFKXXYLJ-LJQANCHMSA-N 1 3 347.478 2.708 20 0 EFADHO C[C@H](F)CC[NH+]1CCC2(CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000957644880 1291954457 /nfs/dbraw/zinc/95/44/57/1291954457.db2.gz MQBCOGXEVIJYMO-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCF)CC2 ZINC000957647330 1291958844 /nfs/dbraw/zinc/95/88/44/1291958844.db2.gz CCJLBONLABBRFR-QGZVFWFLSA-N 1 3 339.499 2.535 20 0 EFADHO COCCSc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCC2)cc1 ZINC000775352754 1292004086 /nfs/dbraw/zinc/00/40/86/1292004086.db2.gz NGMURCBWJVYNNB-DOTOQJQBSA-N 1 3 338.517 2.532 20 0 EFADHO C[C@@H](C(=O)NCC1CCCCC1)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248854 1292040664 /nfs/dbraw/zinc/04/06/64/1292040664.db2.gz WMHMOTMKVKPTKP-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCC[C@H]1N(C)C(=O)CN1CCC2(CC1)CC[NH+](C)CC2 ZINC000879249421 1292042391 /nfs/dbraw/zinc/04/23/91/1292042391.db2.gz PVOQELUPIMWIKD-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957689764 1292069060 /nfs/dbraw/zinc/06/90/60/1292069060.db2.gz FBIVKYIKIOIBCC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCCC1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957689764 1292069068 /nfs/dbraw/zinc/06/90/68/1292069068.db2.gz FBIVKYIKIOIBCC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690789 1292071351 /nfs/dbraw/zinc/07/13/51/1292071351.db2.gz PYEFIOWLRTZMMK-SFHVURJKSA-N 1 3 349.544 2.903 20 0 EFADHO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000957690789 1292071357 /nfs/dbraw/zinc/07/13/57/1292071357.db2.gz PYEFIOWLRTZMMK-SFHVURJKSA-N 1 3 349.544 2.903 20 0 EFADHO Cc1cccc(C[C@]2(C)CCCN2CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000879388569 1292101074 /nfs/dbraw/zinc/10/10/74/1292101074.db2.gz FLCMVIFMGOZAJO-NRFANRHFSA-N 1 3 343.515 2.602 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016652328 1312904487 /nfs/dbraw/zinc/90/44/87/1312904487.db2.gz RODYFGMBCAMGME-COXDATCZSA-N 1 3 339.911 2.584 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(C/C=C\Cl)CC2 ZINC001016652328 1312904489 /nfs/dbraw/zinc/90/44/89/1312904489.db2.gz RODYFGMBCAMGME-COXDATCZSA-N 1 3 339.911 2.584 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442908 1292161781 /nfs/dbraw/zinc/16/17/81/1292161781.db2.gz CEQLBJZDJMJEBE-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC001190442908 1292161788 /nfs/dbraw/zinc/16/17/88/1292161788.db2.gz CEQLBJZDJMJEBE-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001190436307 1292175020 /nfs/dbraw/zinc/17/50/20/1292175020.db2.gz SXFLPZJZHYPQNV-ZWKOTPCHSA-N 1 3 339.499 2.699 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190436307 1292175024 /nfs/dbraw/zinc/17/50/24/1292175024.db2.gz SXFLPZJZHYPQNV-ZWKOTPCHSA-N 1 3 339.499 2.699 20 0 EFADHO CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CCCN(C)C2=O)ccc1OC ZINC000775394168 1292196434 /nfs/dbraw/zinc/19/64/34/1292196434.db2.gz IJXNYZBJGFDNHI-CRAIPNDOSA-N 1 3 347.503 2.808 20 0 EFADHO CC[C@@H](OCCN1CCC([NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000879594340 1292200087 /nfs/dbraw/zinc/20/00/87/1292200087.db2.gz FTGWQGMEMFFAJW-OAQYLSRUSA-N 1 3 345.531 2.866 20 0 EFADHO c1cn2c(cccc2CN2CCC(COCC[NH+]3CCCC3)CC2)n1 ZINC001233360891 1312909856 /nfs/dbraw/zinc/90/98/56/1312909856.db2.gz MDNHSGBSRNLDAH-UHFFFAOYSA-N 1 3 342.487 2.659 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](CC)CC2CC2)CC1 ZINC000957777908 1292232397 /nfs/dbraw/zinc/23/23/97/1292232397.db2.gz CDLBLSSFRQRRES-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC000957777908 1292232401 /nfs/dbraw/zinc/23/24/01/1292232401.db2.gz CDLBLSSFRQRRES-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)C/C=C\c3ccccc3)C2)CCC1 ZINC001190646125 1292264020 /nfs/dbraw/zinc/26/40/20/1292264020.db2.gz XNGYQSGZBUMJCP-KOTDBNOLSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C\c3ccccc3)C2)CCC1 ZINC001190646125 1292264027 /nfs/dbraw/zinc/26/40/27/1292264027.db2.gz XNGYQSGZBUMJCP-KOTDBNOLSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)C/C=C/c3ccccc3)C2)CCC1 ZINC001190646126 1292264160 /nfs/dbraw/zinc/26/41/60/1292264160.db2.gz XNGYQSGZBUMJCP-SSVWKNEZSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C/c3ccccc3)C2)CCC1 ZINC001190646126 1292264168 /nfs/dbraw/zinc/26/41/68/1292264168.db2.gz XNGYQSGZBUMJCP-SSVWKNEZSA-N 1 3 341.499 2.717 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655552 1292268081 /nfs/dbraw/zinc/26/80/81/1292268081.db2.gz QDFWJXIIKSNIMR-HUUCEWRRSA-N 1 3 349.441 2.592 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCCC(F)(F)F)C1)C1CC1 ZINC001190655552 1292268088 /nfs/dbraw/zinc/26/80/88/1292268088.db2.gz QDFWJXIIKSNIMR-HUUCEWRRSA-N 1 3 349.441 2.592 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190655587 1292269004 /nfs/dbraw/zinc/26/90/04/1292269004.db2.gz QLBPBHJVSXXVPK-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO CC(C)=CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190655587 1292269011 /nfs/dbraw/zinc/26/90/11/1292269011.db2.gz QLBPBHJVSXXVPK-MOPGFXCFSA-N 1 3 333.520 2.892 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656923 1292270931 /nfs/dbraw/zinc/27/09/31/1292270931.db2.gz XYWTYUUOMIPOAG-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1)C1CC1 ZINC001190656923 1292270939 /nfs/dbraw/zinc/27/09/39/1292270939.db2.gz XYWTYUUOMIPOAG-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO Nc1cccc(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001233371117 1312914707 /nfs/dbraw/zinc/91/47/07/1312914707.db2.gz ZVSWWVBKUFZJEM-UHFFFAOYSA-N 1 3 337.471 2.547 20 0 EFADHO Nc1cccc(CN2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001233371117 1312914710 /nfs/dbraw/zinc/91/47/10/1312914710.db2.gz ZVSWWVBKUFZJEM-UHFFFAOYSA-N 1 3 337.471 2.547 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)C/C=C/c2ccccc2)C1)C1CCC1 ZINC001190674763 1292280652 /nfs/dbraw/zinc/28/06/52/1292280652.db2.gz DKWBEXGGNJEEKT-JRMCHAMMSA-N 1 3 341.499 2.717 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1)C1CCC1 ZINC001190674763 1292280658 /nfs/dbraw/zinc/28/06/58/1292280658.db2.gz DKWBEXGGNJEEKT-JRMCHAMMSA-N 1 3 341.499 2.717 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001190778095 1292312201 /nfs/dbraw/zinc/31/22/01/1292312201.db2.gz YMYHTCOGHZAMEG-IHZMKLEDSA-N 1 3 343.515 2.819 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115535347 1292409301 /nfs/dbraw/zinc/40/93/01/1292409301.db2.gz SILSDXGOYYYSAT-MRXNPFEDSA-N 1 3 327.488 2.628 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191019427 1292429037 /nfs/dbraw/zinc/42/90/37/1292429037.db2.gz MDAIVHSZPYMXPO-KRWDZBQOSA-N 1 3 335.467 2.589 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2)C1 ZINC001191019427 1292429041 /nfs/dbraw/zinc/42/90/41/1292429041.db2.gz MDAIVHSZPYMXPO-KRWDZBQOSA-N 1 3 335.467 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001191030152 1292432368 /nfs/dbraw/zinc/43/23/68/1292432368.db2.gz QLSSKYYHETYTKR-MJGOQNOKSA-N 1 3 343.515 2.937 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001191030152 1292432374 /nfs/dbraw/zinc/43/23/74/1292432374.db2.gz QLSSKYYHETYTKR-MJGOQNOKSA-N 1 3 343.515 2.937 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001191029599 1292433007 /nfs/dbraw/zinc/43/30/07/1292433007.db2.gz KOISORNJDCPETK-SFHVURJKSA-N 1 3 349.494 2.897 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccc(F)cc2C)C1 ZINC001191029599 1292433009 /nfs/dbraw/zinc/43/30/09/1292433009.db2.gz KOISORNJDCPETK-SFHVURJKSA-N 1 3 349.494 2.897 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC2(C1)CC[NH+](C)CC2 ZINC001203496245 1312939591 /nfs/dbraw/zinc/93/95/91/1312939591.db2.gz NSSLHCOEQHRLNB-UHFFFAOYSA-N 1 3 334.460 2.630 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203515215 1312942946 /nfs/dbraw/zinc/94/29/46/1312942946.db2.gz REEYLZIFWWAQQE-QZTJIDSGSA-N 1 3 329.488 2.545 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2F)C12CCC2 ZINC001203515417 1312943040 /nfs/dbraw/zinc/94/30/40/1312943040.db2.gz SOXWNIRIUOAHGQ-ZWKOTPCHSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203520718 1312944868 /nfs/dbraw/zinc/94/48/68/1312944868.db2.gz HLXVIWBDXZOMQA-OLZOCXBDSA-N 1 3 348.318 2.664 20 0 EFADHO CCN(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C12CCC2 ZINC001203524550 1312946356 /nfs/dbraw/zinc/94/63/56/1312946356.db2.gz WSHKMSRNXFANIM-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001276318225 1292732712 /nfs/dbraw/zinc/73/27/12/1292732712.db2.gz BTJCRAUHRNMWTK-PBHICJAKSA-N 1 3 346.906 2.889 20 0 EFADHO Cc1ncsc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276323133 1292753388 /nfs/dbraw/zinc/75/33/88/1292753388.db2.gz NUFTYEMPKWREDT-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncsc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276323133 1292753397 /nfs/dbraw/zinc/75/33/97/1292753397.db2.gz NUFTYEMPKWREDT-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192027972 1292754270 /nfs/dbraw/zinc/75/42/70/1292754270.db2.gz BTSUOJXSRQLZBQ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152409 1292794764 /nfs/dbraw/zinc/79/47/64/1292794764.db2.gz HBFYNWJZTJXHGO-DZGCQCFKSA-N 1 3 339.430 2.510 20 0 EFADHO O=c1[nH]cccc1C[NH+]1CCC2(CCCN(Cc3ccc[nH]3)C2)CC1 ZINC001276328379 1292796801 /nfs/dbraw/zinc/79/68/01/1292796801.db2.gz PDZFRUQIAYSAIZ-UHFFFAOYSA-N 1 3 340.471 2.994 20 0 EFADHO CN(Cc1ccc(C(F)F)cc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169882 1292804067 /nfs/dbraw/zinc/80/40/67/1292804067.db2.gz FCNMTZQJEDHTNV-INIZCTEOSA-N 1 3 339.430 2.609 20 0 EFADHO CN(C/C=C\c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169558 1292804675 /nfs/dbraw/zinc/80/46/75/1292804675.db2.gz AGOQMVOGSMWKKI-PYTPGESOSA-N 1 3 349.906 2.838 20 0 EFADHO CN(C/C=C/c1ccc(Cl)cc1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169567 1292805744 /nfs/dbraw/zinc/80/57/44/1292805744.db2.gz AGOQMVOGSMWKKI-WRFKIARRSA-N 1 3 349.906 2.838 20 0 EFADHO CN(Cc1cccc(C(F)F)c1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169872 1292806439 /nfs/dbraw/zinc/80/64/39/1292806439.db2.gz DOBGCNMXBIYLJJ-INIZCTEOSA-N 1 3 339.430 2.609 20 0 EFADHO C[C@@H]([NH2+]CCOc1cccnc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000775506780 1292808049 /nfs/dbraw/zinc/80/80/49/1292808049.db2.gz DJLCMWDYQNEBDC-MJGOQNOKSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@@H](NCCOc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775506780 1292808061 /nfs/dbraw/zinc/80/80/61/1292808061.db2.gz DJLCMWDYQNEBDC-MJGOQNOKSA-N 1 3 325.456 2.961 20 0 EFADHO C[C@@H](NCCOc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000775506780 1292808073 /nfs/dbraw/zinc/80/80/73/1292808073.db2.gz DJLCMWDYQNEBDC-MJGOQNOKSA-N 1 3 325.456 2.961 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001192190447 1292811487 /nfs/dbraw/zinc/81/14/87/1292811487.db2.gz PVCUIXPJSXNEFC-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1)N(C)C ZINC001192190447 1292811504 /nfs/dbraw/zinc/81/15/04/1292811504.db2.gz PVCUIXPJSXNEFC-IAGOWNOFSA-N 1 3 325.541 2.932 20 0 EFADHO Cc1cc(Br)cnc1CN1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001276412793 1312954704 /nfs/dbraw/zinc/95/47/04/1312954704.db2.gz XXQMDEATKYXRPZ-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO Cc1cc(Br)cnc1CN1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001276412793 1312954707 /nfs/dbraw/zinc/95/47/07/1312954707.db2.gz XXQMDEATKYXRPZ-OKILXGFUSA-N 1 3 338.293 2.926 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001192198623 1292817461 /nfs/dbraw/zinc/81/74/61/1292817461.db2.gz SZZLASSWLXYMIQ-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001192198623 1292817468 /nfs/dbraw/zinc/81/74/68/1292817468.db2.gz SZZLASSWLXYMIQ-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841413 1292829531 /nfs/dbraw/zinc/82/95/31/1292829531.db2.gz VQKPKPPBUIVKTJ-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114841413 1292829543 /nfs/dbraw/zinc/82/95/43/1292829543.db2.gz VQKPKPPBUIVKTJ-RUYXUALKSA-N 1 3 343.515 2.519 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1sccc1Cl)N(C)C ZINC001276333424 1292836810 /nfs/dbraw/zinc/83/68/10/1292836810.db2.gz SHBVALYROHDMLW-ZDUSSCGKSA-N 1 3 331.913 2.680 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192343234 1292877824 /nfs/dbraw/zinc/87/78/24/1292877824.db2.gz NUEPATZSQQHTBM-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192343234 1292877844 /nfs/dbraw/zinc/87/78/44/1292877844.db2.gz NUEPATZSQQHTBM-SJLPKXTDSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001192406836 1292896771 /nfs/dbraw/zinc/89/67/71/1292896771.db2.gz NMVUVHPUJVMHRM-OAHLLOKOSA-N 1 3 345.478 2.542 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(F)(F)C2)C1)CC(C)(C)C ZINC001192406836 1292896787 /nfs/dbraw/zinc/89/67/87/1292896787.db2.gz NMVUVHPUJVMHRM-OAHLLOKOSA-N 1 3 345.478 2.542 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001016760918 1312963914 /nfs/dbraw/zinc/96/39/14/1312963914.db2.gz FBRMABFADMYKPN-HZPDHXFCSA-N 1 3 339.499 2.580 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@H]3NC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001016761421 1312964114 /nfs/dbraw/zinc/96/41/14/1312964114.db2.gz LCSAESWVVQBJHF-DAWZGUTISA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2)N1CCCC1 ZINC001016761338 1312964320 /nfs/dbraw/zinc/96/43/20/1312964320.db2.gz JHRZTVBJPBAKJP-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848773 1292992993 /nfs/dbraw/zinc/99/29/93/1292992993.db2.gz FRVNVGOFVHZVRF-WOGUSJMUSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)CC(C)(C)C ZINC001114848773 1292992997 /nfs/dbraw/zinc/99/29/97/1292992997.db2.gz FRVNVGOFVHZVRF-WOGUSJMUSA-N 1 3 343.515 2.772 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049533419 1312975622 /nfs/dbraw/zinc/97/56/22/1312975622.db2.gz OEOKBMPWJPNRPZ-ZCNNSNEGSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049533419 1312975624 /nfs/dbraw/zinc/97/56/24/1312975624.db2.gz OEOKBMPWJPNRPZ-ZCNNSNEGSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049533417 1312975683 /nfs/dbraw/zinc/97/56/83/1312975683.db2.gz OEOKBMPWJPNRPZ-UFYCRDLUSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049533417 1312975685 /nfs/dbraw/zinc/97/56/85/1312975685.db2.gz OEOKBMPWJPNRPZ-UFYCRDLUSA-N 1 3 343.515 2.838 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001192907260 1293097441 /nfs/dbraw/zinc/09/74/41/1293097441.db2.gz UZLKNDYXUCJSNO-SJORKVTESA-N 1 3 329.504 2.779 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CC[C@@H](C)F)C1 ZINC001192907260 1293097446 /nfs/dbraw/zinc/09/74/46/1293097446.db2.gz UZLKNDYXUCJSNO-SJORKVTESA-N 1 3 329.504 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001192947356 1293106450 /nfs/dbraw/zinc/10/64/50/1293106450.db2.gz HYZZHZOOJTWSEE-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001192947356 1293106452 /nfs/dbraw/zinc/10/64/52/1293106452.db2.gz HYZZHZOOJTWSEE-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001192947354 1293107372 /nfs/dbraw/zinc/10/73/72/1293107372.db2.gz HYZZHZOOJTWSEE-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001192947354 1293107374 /nfs/dbraw/zinc/10/73/74/1293107374.db2.gz HYZZHZOOJTWSEE-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049535243 1312977472 /nfs/dbraw/zinc/97/74/72/1312977472.db2.gz ZJKOHXDQBOGSQJ-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049535243 1312977475 /nfs/dbraw/zinc/97/74/75/1312977475.db2.gz ZJKOHXDQBOGSQJ-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970358 1293127222 /nfs/dbraw/zinc/12/72/22/1293127222.db2.gz RYGSHCDJQFEHRM-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccccc1CC[N@H+](C)[C@@H]1CCN(C(=O)CN(CC)CC)C1 ZINC001192970358 1293127227 /nfs/dbraw/zinc/12/72/27/1293127227.db2.gz RYGSHCDJQFEHRM-HXUWFJFHSA-N 1 3 345.531 2.666 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001192970147 1293127726 /nfs/dbraw/zinc/12/77/26/1293127726.db2.gz POTRVGDVNTYUBG-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001192970147 1293127735 /nfs/dbraw/zinc/12/77/35/1293127735.db2.gz POTRVGDVNTYUBG-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCCC(F)(F)F)C1 ZINC001192970847 1293128723 /nfs/dbraw/zinc/12/87/23/1293128723.db2.gz ZBUAIWQTLKJGBH-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCCC(F)(F)F)C1 ZINC001192970847 1293128728 /nfs/dbraw/zinc/12/87/28/1293128728.db2.gz ZBUAIWQTLKJGBH-AWEZNQCLSA-N 1 3 337.430 2.594 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCCC3CCC3)C2)CC1 ZINC001193025443 1293144942 /nfs/dbraw/zinc/14/49/42/1293144942.db2.gz DZOAGQQSCNIGEL-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCC3)C2)CC1 ZINC001193025443 1293144943 /nfs/dbraw/zinc/14/49/43/1293144943.db2.gz DZOAGQQSCNIGEL-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCC/C=C/CC[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026528 1293144955 /nfs/dbraw/zinc/14/49/55/1293144955.db2.gz KQINCAGKAMPOIE-OVKVCFKUSA-N 1 3 335.536 2.997 20 0 EFADHO CCC/C=C/CC[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193026528 1293144957 /nfs/dbraw/zinc/14/49/57/1293144957.db2.gz KQINCAGKAMPOIE-OVKVCFKUSA-N 1 3 335.536 2.997 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028763 1293146751 /nfs/dbraw/zinc/14/67/51/1293146751.db2.gz WQUSZHVIAOTMSS-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001193028763 1293146759 /nfs/dbraw/zinc/14/67/59/1293146759.db2.gz WQUSZHVIAOTMSS-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203650310 1312980724 /nfs/dbraw/zinc/98/07/24/1312980724.db2.gz GGTAEFCQCABNAI-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203652371 1312981740 /nfs/dbraw/zinc/98/17/40/1312981740.db2.gz UEFSUDDMNGYSHU-STQMWFEESA-N 1 3 348.318 2.664 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203652317 1312981874 /nfs/dbraw/zinc/98/18/74/1312981874.db2.gz TXVRXZTYCLEUAU-IRXDYDNUSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203659217 1312983136 /nfs/dbraw/zinc/98/31/36/1312983136.db2.gz GVRAWKLEZWGWAI-JKSUJKDBSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C12CCC2 ZINC001203659215 1312983325 /nfs/dbraw/zinc/98/33/25/1312983325.db2.gz GVRAWKLEZWGWAI-HOTGVXAUSA-N 1 3 332.492 2.714 20 0 EFADHO CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203661381 1312983584 /nfs/dbraw/zinc/98/35/84/1312983584.db2.gz UPQAZNWOMBZKIC-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570787 1293348066 /nfs/dbraw/zinc/34/80/66/1293348066.db2.gz NRXUFMWCKGQDTO-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001203709083 1312995618 /nfs/dbraw/zinc/99/56/18/1312995618.db2.gz KAFOIUHMETWNNI-WMZJFQQLSA-N 1 3 341.499 2.766 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001193642052 1293381891 /nfs/dbraw/zinc/38/18/91/1293381891.db2.gz KXVZSHIVQPQAQR-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001193642052 1293381900 /nfs/dbraw/zinc/38/19/00/1293381900.db2.gz KXVZSHIVQPQAQR-GPVYEGESSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193642005 1293382318 /nfs/dbraw/zinc/38/23/18/1293382318.db2.gz KKLUQWVQZCZZSF-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CC)cc2)C1 ZINC001193642005 1293382327 /nfs/dbraw/zinc/38/23/27/1293382327.db2.gz KKLUQWVQZCZZSF-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001193643572 1293383793 /nfs/dbraw/zinc/38/37/93/1293383793.db2.gz WXXYICFEYRIKDV-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H]2CCCC(F)(F)C2)C1 ZINC001193643572 1293383803 /nfs/dbraw/zinc/38/38/03/1293383803.db2.gz WXXYICFEYRIKDV-JKSUJKDBSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001193643722 1293384014 /nfs/dbraw/zinc/38/40/14/1293384014.db2.gz ZKQPERKHBNCVJX-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001193643722 1293384020 /nfs/dbraw/zinc/38/40/20/1293384020.db2.gz ZKQPERKHBNCVJX-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001193643522 1293384361 /nfs/dbraw/zinc/38/43/61/1293384361.db2.gz VQFGFIQIPBBJPM-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccc(F)cc32)C1 ZINC001193643522 1293384364 /nfs/dbraw/zinc/38/43/64/1293384364.db2.gz VQFGFIQIPBBJPM-PKOBYXMFSA-N 1 3 347.478 2.688 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193600618 1293389096 /nfs/dbraw/zinc/38/90/96/1293389096.db2.gz HVGVRLHDFDNTOA-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001193600618 1293389110 /nfs/dbraw/zinc/38/91/10/1293389110.db2.gz HVGVRLHDFDNTOA-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016828454 1313000380 /nfs/dbraw/zinc/00/03/80/1313000380.db2.gz FVGBLIIMQZURHL-AEFFLSMTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001016829188 1313001169 /nfs/dbraw/zinc/00/11/69/1313001169.db2.gz KQSSSEXOEBNTTH-AEFFLSMTSA-N 1 3 347.547 2.878 20 0 EFADHO Fc1ccc(CC[NH+]2CCC(N[C@@H]3CCCC34OCCO4)CC2)cc1 ZINC000883179358 1293496135 /nfs/dbraw/zinc/49/61/35/1293496135.db2.gz VHDDQYWKFGNZHO-LJQANCHMSA-N 1 3 348.462 2.718 20 0 EFADHO C[N@H+](CC/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041104 1293510377 /nfs/dbraw/zinc/51/03/77/1293510377.db2.gz USIAMGMMBKKPDA-OZVOWOKYSA-N 1 3 341.499 2.718 20 0 EFADHO C[N@@H+](CC/C=C\c1ccccc1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001194041104 1293510380 /nfs/dbraw/zinc/51/03/80/1293510380.db2.gz USIAMGMMBKKPDA-OZVOWOKYSA-N 1 3 341.499 2.718 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C12CCC2 ZINC001203791090 1293565774 /nfs/dbraw/zinc/56/57/74/1293565774.db2.gz CIIASOFHPZQKSZ-SJORKVTESA-N 1 3 335.536 2.780 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194284764 1293587241 /nfs/dbraw/zinc/58/72/41/1293587241.db2.gz NDSRHYDEJGMLGI-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194284764 1293587246 /nfs/dbraw/zinc/58/72/46/1293587246.db2.gz NDSRHYDEJGMLGI-FQEVSTJZSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001194293257 1293590170 /nfs/dbraw/zinc/59/01/70/1293590170.db2.gz FIVUHGNUWJBAGY-KRWDZBQOSA-N 1 3 335.467 2.507 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1F ZINC001194293257 1293590175 /nfs/dbraw/zinc/59/01/75/1293590175.db2.gz FIVUHGNUWJBAGY-KRWDZBQOSA-N 1 3 335.467 2.507 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001194292607 1293590921 /nfs/dbraw/zinc/59/09/21/1293590921.db2.gz AWROTYSCRBRILW-YJBOKZPZSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001194292607 1293590924 /nfs/dbraw/zinc/59/09/24/1293590924.db2.gz AWROTYSCRBRILW-YJBOKZPZSA-N 1 3 335.467 2.760 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295117 1293591285 /nfs/dbraw/zinc/59/12/85/1293591285.db2.gz PBFXFSGUVDJNSJ-HKUYNNGSSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194295117 1293591291 /nfs/dbraw/zinc/59/12/91/1293591291.db2.gz PBFXFSGUVDJNSJ-HKUYNNGSSA-N 1 3 331.504 2.929 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001194294098 1293591969 /nfs/dbraw/zinc/59/19/69/1293591969.db2.gz JSUNRABXECAECN-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001194294098 1293591971 /nfs/dbraw/zinc/59/19/71/1293591971.db2.gz JSUNRABXECAECN-HZPDHXFCSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001194296020 1293594451 /nfs/dbraw/zinc/59/44/51/1293594451.db2.gz UOWCBLJHQITWJW-MEJUDOHFSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001194296020 1293594455 /nfs/dbraw/zinc/59/44/55/1293594455.db2.gz UOWCBLJHQITWJW-MEJUDOHFSA-N 1 3 343.515 2.963 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001016860231 1313015085 /nfs/dbraw/zinc/01/50/85/1313015085.db2.gz HGSVGACEROOWMO-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2)N1CCCCCC1 ZINC001016861031 1313015425 /nfs/dbraw/zinc/01/54/25/1313015425.db2.gz MTDWACCGZQFGEI-DLBZAZTESA-N 1 3 339.499 2.581 20 0 EFADHO C[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2)N1CCCCCC1 ZINC001016861033 1313015896 /nfs/dbraw/zinc/01/58/96/1313015896.db2.gz MTDWACCGZQFGEI-IRXDYDNUSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203792428 1313017439 /nfs/dbraw/zinc/01/74/39/1313017439.db2.gz PFQMZQQMVOEFHM-ROUUACIJSA-N 1 3 347.478 2.683 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)c1 ZINC001203794860 1313017797 /nfs/dbraw/zinc/01/77/97/1313017797.db2.gz ZMHJGBFFWFKCJN-RTBURBONSA-N 1 3 343.515 2.852 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C(C)C)C23CCC3)c1 ZINC001203794859 1313017936 /nfs/dbraw/zinc/01/79/36/1313017936.db2.gz ZMHJGBFFWFKCJN-RBUKOAKNSA-N 1 3 343.515 2.852 20 0 EFADHO CN(c1ccccc1CNC[C@H](O)c1ccco1)C1CC[NH+](C)CC1 ZINC000132869634 1293721012 /nfs/dbraw/zinc/72/10/12/1293721012.db2.gz BKJBBMBATXQBDV-IBGZPJMESA-N 1 3 343.471 2.633 20 0 EFADHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2[nH]1 ZINC000775627549 1293775100 /nfs/dbraw/zinc/77/51/00/1293775100.db2.gz NOLSUAAIOWPUMN-HNNXBMFYSA-N 1 3 342.487 2.761 20 0 EFADHO CC(C)=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568085 1313029952 /nfs/dbraw/zinc/02/99/52/1313029952.db2.gz RHAAOVQTGOUQNY-QZTJIDSGSA-N 1 3 331.504 2.646 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C\Cl ZINC001049573822 1313036407 /nfs/dbraw/zinc/03/64/07/1313036407.db2.gz WXCJVXVBGGKCCU-ZABNETJCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C\Cl ZINC001049573822 1313036409 /nfs/dbraw/zinc/03/64/09/1313036409.db2.gz WXCJVXVBGGKCCU-ZABNETJCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C\Cl ZINC001049573822 1313036413 /nfs/dbraw/zinc/03/64/13/1313036413.db2.gz WXCJVXVBGGKCCU-ZABNETJCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C\Cl ZINC001049573822 1313036417 /nfs/dbraw/zinc/03/64/17/1313036417.db2.gz WXCJVXVBGGKCCU-ZABNETJCSA-N 1 3 344.846 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001202666896 1294002312 /nfs/dbraw/zinc/00/23/12/1294002312.db2.gz CTWIGJNNRVWGQD-YWEYNIOJSA-N 1 3 338.455 2.636 20 0 EFADHO CC(C)=CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203902717 1313044391 /nfs/dbraw/zinc/04/43/91/1313044391.db2.gz IDXAIOOQUATTBL-UHFFFAOYSA-N 1 3 329.488 2.909 20 0 EFADHO C[NH2+]CCOc1cccc(C(=O)Nc2cccc(CN(C)C)c2)c1 ZINC000884191002 1294039146 /nfs/dbraw/zinc/03/91/46/1294039146.db2.gz SOZYWLIZGCYHPI-UHFFFAOYSA-N 1 3 327.428 2.599 20 0 EFADHO C[NH2+]CCOc1cccc(C(=O)Nc2cc(CN(C)C)ccc2C)c1 ZINC000884228815 1294057174 /nfs/dbraw/zinc/05/71/74/1294057174.db2.gz ZOYXICQWXKSTIH-UHFFFAOYSA-N 1 3 341.455 2.907 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC001203925883 1313048230 /nfs/dbraw/zinc/04/82/30/1313048230.db2.gz XOLCWAODPWGRHT-UHFFFAOYSA-N 1 3 343.471 2.854 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001203925511 1313048344 /nfs/dbraw/zinc/04/83/44/1313048344.db2.gz QMKHPVSAYBCRPF-LJQANCHMSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001203925510 1313048608 /nfs/dbraw/zinc/04/86/08/1313048608.db2.gz QMKHPVSAYBCRPF-IBGZPJMESA-N 1 3 329.488 2.595 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)c(C)s1 ZINC001203932469 1313050622 /nfs/dbraw/zinc/05/06/22/1313050622.db2.gz GPYJUNAZYWFUIF-UHFFFAOYSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000884324796 1294097990 /nfs/dbraw/zinc/09/79/90/1294097990.db2.gz ACRSPEQHQUMEKL-QAPCUYQASA-N 1 3 346.519 2.733 20 0 EFADHO CC/C=C\CC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196025633 1294109322 /nfs/dbraw/zinc/10/93/22/1294109322.db2.gz RCXYYUDDLPFBFZ-ZPUOCTKUSA-N 1 3 327.488 2.557 20 0 EFADHO CC/C=C\CC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196025633 1294109324 /nfs/dbraw/zinc/10/93/24/1294109324.db2.gz RCXYYUDDLPFBFZ-ZPUOCTKUSA-N 1 3 327.488 2.557 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154447 1294151843 /nfs/dbraw/zinc/15/18/43/1294151843.db2.gz GQYNSJCQGUNHDL-VOFKWLDRSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001196154447 1294151845 /nfs/dbraw/zinc/15/18/45/1294151845.db2.gz GQYNSJCQGUNHDL-VOFKWLDRSA-N 1 3 335.536 2.855 20 0 EFADHO CCC/C=C\CCN1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417308 1294240029 /nfs/dbraw/zinc/24/00/29/1294240029.db2.gz NTVVCKDYNJQXJP-PLNGDYQASA-N 1 3 333.520 2.896 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641415 1294301701 /nfs/dbraw/zinc/30/17/01/1294301701.db2.gz FUIOAFMXUAKCEG-KRWDZBQOSA-N 1 3 341.515 2.923 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641415 1294301708 /nfs/dbraw/zinc/30/17/08/1294301708.db2.gz FUIOAFMXUAKCEG-KRWDZBQOSA-N 1 3 341.515 2.923 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655959 1294323061 /nfs/dbraw/zinc/32/30/61/1294323061.db2.gz MCZOLASPBPIRSM-INIZCTEOSA-N 1 3 327.488 2.533 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)c2ccccc2CN(C)C)CC1 ZINC001016983364 1313071016 /nfs/dbraw/zinc/07/10/16/1313071016.db2.gz RNALPNCQXQNYCG-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982508 1313071022 /nfs/dbraw/zinc/07/10/22/1313071022.db2.gz IGWXXNHEJNIJCT-SFHVURJKSA-N 1 3 329.488 2.741 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001196970810 1294414523 /nfs/dbraw/zinc/41/45/23/1294414523.db2.gz YCTILMLSEHCKHN-UHFFFAOYSA-N 1 3 342.487 2.544 20 0 EFADHO C[C@@H](c1ccccc1)N1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196942696 1294418677 /nfs/dbraw/zinc/41/86/77/1294418677.db2.gz HAODSNVKGXIOSD-KRWDZBQOSA-N 1 3 329.488 2.624 20 0 EFADHO C[NH+](C)CC1(C(=O)N2CCCN(CCCc3ccsc3)CC2)CC1 ZINC001196953824 1294422124 /nfs/dbraw/zinc/42/21/24/1294422124.db2.gz XCWDEICHURHDMK-UHFFFAOYSA-N 1 3 349.544 2.557 20 0 EFADHO Cc1cccc([C@@H](C)N2CCCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001196963839 1294425092 /nfs/dbraw/zinc/42/50/92/1294425092.db2.gz ZYCAKEUXRUOPJS-GOSISDBHSA-N 1 3 331.504 2.932 20 0 EFADHO CCCCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158480 1294471669 /nfs/dbraw/zinc/47/16/69/1294471669.db2.gz QPXWPBZCBJHBDF-LJQANCHMSA-N 1 3 341.515 2.923 20 0 EFADHO CCCCC[N@H+]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001197158480 1294471671 /nfs/dbraw/zinc/47/16/71/1294471671.db2.gz QPXWPBZCBJHBDF-LJQANCHMSA-N 1 3 341.515 2.923 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@H]1CCCN1C(C)C ZINC000958784883 1294484016 /nfs/dbraw/zinc/48/40/16/1294484016.db2.gz YRSOVFNDOXSZJV-MOPGFXCFSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCc2ccccc2[C@H]1C[NH2+]CC1CC1)N(C)C ZINC000958790310 1294488054 /nfs/dbraw/zinc/48/80/54/1294488054.db2.gz BTFBNHZXDQBIOE-UXHICEINSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)[NH2+]C[C@@H]1c2ccccc2CCN1C(=O)CN1CCC(C)(C)C1 ZINC000958799461 1294500839 /nfs/dbraw/zinc/50/08/39/1294500839.db2.gz PKRYQIBKZAJSOQ-LJQANCHMSA-N 1 3 343.515 2.842 20 0 EFADHO CC[NH2+]C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC000958802727 1294502555 /nfs/dbraw/zinc/50/25/55/1294502555.db2.gz CCULGFDUWRZIOC-PMACEKPBSA-N 1 3 343.515 2.985 20 0 EFADHO c1cn(CC[N@@H+]2CCC[C@]3(CCCN(C[C@H]4CCCCO4)C3)C2)cn1 ZINC001276442186 1313084028 /nfs/dbraw/zinc/08/40/28/1313084028.db2.gz AGJLJHKTCDIPND-UXHICEINSA-N 1 3 346.519 2.630 20 0 EFADHO c1cn(CC[N@H+]2CCC[C@]3(CCCN(C[C@H]4CCCCO4)C3)C2)cn1 ZINC001276442186 1313084029 /nfs/dbraw/zinc/08/40/29/1313084029.db2.gz AGJLJHKTCDIPND-UXHICEINSA-N 1 3 346.519 2.630 20 0 EFADHO C[C@@H](CN1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2)CC(F)(F)F ZINC001273747610 1294594801 /nfs/dbraw/zinc/59/48/01/1294594801.db2.gz PWXMHEBMQHGVCH-GDBMZVCRSA-N 1 3 349.441 2.594 20 0 EFADHO CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095911960 1294612818 /nfs/dbraw/zinc/61/28/18/1294612818.db2.gz BNMGRGGDAZXNGW-XWSJACJDSA-N 1 3 333.520 2.915 20 0 EFADHO CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCN1C1CCCC1)C2 ZINC001095911960 1294612821 /nfs/dbraw/zinc/61/28/21/1294612821.db2.gz BNMGRGGDAZXNGW-XWSJACJDSA-N 1 3 333.520 2.915 20 0 EFADHO O=c1cccc(CN2CC[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]3CC2)[nH]1 ZINC001276443840 1313089100 /nfs/dbraw/zinc/08/91/00/1313089100.db2.gz NZAVAAWHKALVLM-ZIFCJYIRSA-N 1 3 345.487 2.500 20 0 EFADHO O=c1cccc(CN2CC[C@H]3C[N@H+](C[C@H]4CCCCO4)C[C@H]3CC2)[nH]1 ZINC001276443840 1313089104 /nfs/dbraw/zinc/08/91/04/1313089104.db2.gz NZAVAAWHKALVLM-ZIFCJYIRSA-N 1 3 345.487 2.500 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001197706371 1294680547 /nfs/dbraw/zinc/68/05/47/1294680547.db2.gz GZUAPPGODWRZIO-UHFFFAOYSA-N 1 3 342.487 2.544 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC001197706371 1294680554 /nfs/dbraw/zinc/68/05/54/1294680554.db2.gz GZUAPPGODWRZIO-UHFFFAOYSA-N 1 3 342.487 2.544 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197810020 1294728601 /nfs/dbraw/zinc/72/86/01/1294728601.db2.gz QGOTVYJWGDHEPY-CQQBRXBZSA-N 1 3 335.536 2.997 20 0 EFADHO C[C@@H](NCCNC(=O)c1ccccc1C[NH+](C)C)c1ccccc1F ZINC001152384356 1294823972 /nfs/dbraw/zinc/82/39/72/1294823972.db2.gz SYSVZERPJCZQBR-OAHLLOKOSA-N 1 3 343.446 2.968 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1)N1CCCC1 ZINC001049629691 1313109487 /nfs/dbraw/zinc/10/94/87/1313109487.db2.gz LLXUHJHKPPYQRR-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1)N1CCCC1 ZINC001049629691 1313109490 /nfs/dbraw/zinc/10/94/90/1313109490.db2.gz LLXUHJHKPPYQRR-MSOLQXFVSA-N 1 3 333.520 2.726 20 0 EFADHO O=C(c1ccccc1)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903717692 1313111082 /nfs/dbraw/zinc/11/10/82/1313111082.db2.gz DCCMMWGJCVSDKV-IBGZPJMESA-N 1 3 342.483 2.740 20 0 EFADHO Cc1cccc(C[NH+]2CCC(N(C)C(=O)CN3CCCC3)CC2)c1 ZINC001006405271 1294909511 /nfs/dbraw/zinc/90/95/11/1294909511.db2.gz DACFBOABSBQNAJ-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO CCOC(=O)[C@@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001204268752 1313111788 /nfs/dbraw/zinc/11/17/88/1313111788.db2.gz PFJGQWXTDZAJMJ-GOSISDBHSA-N 1 3 348.487 2.792 20 0 EFADHO CN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718369 1313113164 /nfs/dbraw/zinc/11/31/64/1313113164.db2.gz LLRRXYLBCHVQJC-INIZCTEOSA-N 1 3 340.414 2.879 20 0 EFADHO CC/C=C\CCN1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198258942 1294959887 /nfs/dbraw/zinc/95/98/87/1294959887.db2.gz GUVSPAKKIXZABP-VOFKWLDRSA-N 1 3 335.536 2.997 20 0 EFADHO Cc1ccc2ccccc2c1C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152439869 1295002924 /nfs/dbraw/zinc/00/29/24/1295002924.db2.gz TWUWJJBGODRLLL-UHFFFAOYSA-N 1 3 327.472 2.694 20 0 EFADHO C[C@@H](F)CCN1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364023 1295006135 /nfs/dbraw/zinc/00/61/35/1295006135.db2.gz KGCYSAOQYLQWSF-QGZVFWFLSA-N 1 3 327.488 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001203903094 1295020660 /nfs/dbraw/zinc/02/06/60/1295020660.db2.gz LNJWXVLZUGKISW-AWEZNQCLSA-N 1 3 348.318 2.760 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640455 1313122941 /nfs/dbraw/zinc/12/29/41/1313122941.db2.gz VUMAVHDHXHIACE-BTRQGYIVSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C(C)(C)N2CCCC2)C1 ZINC001049640455 1313122942 /nfs/dbraw/zinc/12/29/42/1313122942.db2.gz VUMAVHDHXHIACE-BTRQGYIVSA-N 1 3 347.547 2.972 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1cccc(C)c1 ZINC001152451839 1295056166 /nfs/dbraw/zinc/05/61/66/1295056166.db2.gz JHGABKZMXOEUNW-IBGZPJMESA-N 1 3 331.504 2.508 20 0 EFADHO COc1ccc(CNC2CCC(C)([NH+]3CCCC3)CC2)c(OC)n1 ZINC000886612188 1295060126 /nfs/dbraw/zinc/06/01/26/1295060126.db2.gz FHHBBWYRXNYWPE-UHFFFAOYSA-N 1 3 333.476 2.986 20 0 EFADHO c1ccc(CN(C[C@H]2CCCO2)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903726966 1313124467 /nfs/dbraw/zinc/12/44/67/1313124467.db2.gz PRKQTWWTLRZTNO-UXHICEINSA-N 1 3 344.499 2.826 20 0 EFADHO Cc1ccc(CNC(=O)C2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903727644 1313125171 /nfs/dbraw/zinc/12/51/71/1313125171.db2.gz WKWWALGUMBPLDA-LJQANCHMSA-N 1 3 343.515 2.713 20 0 EFADHO Cc1cnsc1CN1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276461973 1313135850 /nfs/dbraw/zinc/13/58/50/1313135850.db2.gz PZDXKAXATMRYMJ-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO Cc1cnsc1CN1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276461973 1313135852 /nfs/dbraw/zinc/13/58/52/1313135852.db2.gz PZDXKAXATMRYMJ-UHFFFAOYSA-N 1 3 331.489 2.663 20 0 EFADHO CN(C)C(=O)CN[C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)o3)(C1)CCC2 ZINC001276461148 1313133105 /nfs/dbraw/zinc/13/31/05/1313133105.db2.gz GZZBTFXSWSSZHL-SJORKVTESA-N 1 3 339.867 2.546 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)o1)C2 ZINC001276462664 1313137341 /nfs/dbraw/zinc/13/73/41/1313137341.db2.gz UXJAOEHIPDFAEY-QGZVFWFLSA-N 1 3 325.884 2.783 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1OC)N(C)C ZINC001198774904 1295246093 /nfs/dbraw/zinc/24/60/93/1295246093.db2.gz CHSDECBURJJSLD-QZTJIDSGSA-N 1 3 347.503 2.582 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1 ZINC001017069870 1313138046 /nfs/dbraw/zinc/13/80/46/1313138046.db2.gz BMKKRZDYRWRXLM-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1 ZINC001017069870 1313138049 /nfs/dbraw/zinc/13/80/49/1313138049.db2.gz BMKKRZDYRWRXLM-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001017072035 1313139949 /nfs/dbraw/zinc/13/99/49/1313139949.db2.gz RJXXNOICFATHRD-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)cs1 ZINC001017072035 1313139952 /nfs/dbraw/zinc/13/99/52/1313139952.db2.gz RJXXNOICFATHRD-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001017072034 1313140035 /nfs/dbraw/zinc/14/00/35/1313140035.db2.gz RJXXNOICFATHRD-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001017072034 1313140036 /nfs/dbraw/zinc/14/00/36/1313140036.db2.gz RJXXNOICFATHRD-SJLPKXTDSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H]1CN(c2cc[nH+]cc2)CCN1C[C@@H](O)CCc1ccccc1 ZINC000887134098 1295287830 /nfs/dbraw/zinc/28/78/30/1295287830.db2.gz BYLNIFLTOZFQAB-PXNSSMCTSA-N 1 3 325.456 2.586 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](NC(C)C)c1ccccc1OC)[NH+](CC)CC ZINC001198894998 1295297274 /nfs/dbraw/zinc/29/72/74/1295297274.db2.gz NNPQCVDAODXKEO-ROUUACIJSA-N 1 3 349.519 2.971 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CCC[NH+](C)C)NCCC1CC1 ZINC001198867220 1295307455 /nfs/dbraw/zinc/30/74/55/1295307455.db2.gz ZBCAYMOMFWGINU-GOSISDBHSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC001198867161 1295308811 /nfs/dbraw/zinc/30/88/11/1295308811.db2.gz XVZUUACUSCIULM-BQFCYCMXSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OC ZINC001198867161 1295308821 /nfs/dbraw/zinc/30/88/21/1295308821.db2.gz XVZUUACUSCIULM-BQFCYCMXSA-N 1 3 347.503 2.582 20 0 EFADHO CCN[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1OC ZINC001198924904 1295334770 /nfs/dbraw/zinc/33/47/70/1295334770.db2.gz NZKFBXTWQQLCCD-ZWKOTPCHSA-N 1 3 347.503 2.725 20 0 EFADHO CCN[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)c1ccccc1OC ZINC001198924904 1295334780 /nfs/dbraw/zinc/33/47/80/1295334780.db2.gz NZKFBXTWQQLCCD-ZWKOTPCHSA-N 1 3 347.503 2.725 20 0 EFADHO CC[C@H](C)C[NH2+][C@H](CNC(=O)CN(CC)CC)c1ccccc1OC ZINC001198939357 1295343006 /nfs/dbraw/zinc/34/30/06/1295343006.db2.gz KSSAJYPSEHZEPT-FUHWJXTLSA-N 1 3 349.519 2.830 20 0 EFADHO CCCCN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198960699 1295358621 /nfs/dbraw/zinc/35/86/21/1295358621.db2.gz LQGNJSWGTBKDRJ-FUHWJXTLSA-N 1 3 347.503 2.584 20 0 EFADHO CCCCN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198960699 1295358630 /nfs/dbraw/zinc/35/86/30/1295358630.db2.gz LQGNJSWGTBKDRJ-FUHWJXTLSA-N 1 3 347.503 2.584 20 0 EFADHO CCCN[C@@H](CNC(=O)CCCC[NH+](C)C)c1ccccc1OC ZINC001198968197 1295363199 /nfs/dbraw/zinc/36/31/99/1295363199.db2.gz LXGSAUNHSUWLOO-KRWDZBQOSA-N 1 3 335.492 2.584 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1OC ZINC001198968516 1295365265 /nfs/dbraw/zinc/36/52/65/1295365265.db2.gz NBRXFROVYWRMSH-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO COc1ccccc1[C@H](CNC(=O)CCC[NH+]1CCCC1)NC(C)C ZINC001198993357 1295388128 /nfs/dbraw/zinc/38/81/28/1295388128.db2.gz OERDXQDAJPAZDK-SFHVURJKSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@@H](C)C[NH2+][C@H](CNC(=O)CN(C)C(C)C)c1ccccc1OC ZINC001198994213 1295391921 /nfs/dbraw/zinc/39/19/21/1295391921.db2.gz VYPSKQHEGZEWDW-SJLPKXTDSA-N 1 3 349.519 2.828 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001203925660 1295417582 /nfs/dbraw/zinc/41/75/82/1295417582.db2.gz UCJTUJPWDZAQRH-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)c1cc(Nc2cccc(CN3CCN(C)CC3)c2)cc[nH+]1 ZINC001204503549 1313151676 /nfs/dbraw/zinc/15/16/76/1313151676.db2.gz SJDXAYYDXIMFSM-UHFFFAOYSA-N 1 3 325.460 2.639 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001203925433 1295422742 /nfs/dbraw/zinc/42/27/42/1295422742.db2.gz NTHYCDSEJDGPKH-HNNXBMFYSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1nc2c(s1)[C@H](N(C)C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CCC2 ZINC000903756006 1313170506 /nfs/dbraw/zinc/17/05/06/1313170506.db2.gz OCKCTGDSRROOFQ-DDUZABMNSA-N 1 3 335.517 2.783 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCC1 ZINC001234641465 1313175778 /nfs/dbraw/zinc/17/57/78/1313175778.db2.gz DHVJUNZKXMMLHD-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001234641465 1313175781 /nfs/dbraw/zinc/17/57/81/1313175781.db2.gz DHVJUNZKXMMLHD-QZTJIDSGSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC1CCC1 ZINC001234641467 1313175881 /nfs/dbraw/zinc/17/58/81/1313175881.db2.gz DHVJUNZKXMMLHD-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001234641467 1313175884 /nfs/dbraw/zinc/17/58/84/1313175884.db2.gz DHVJUNZKXMMLHD-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644072 1313176452 /nfs/dbraw/zinc/17/64/52/1313176452.db2.gz SFFOPAUJKYNLOE-SJORKVTESA-N 1 3 329.504 2.635 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CN(CC)CC ZINC001234644072 1313176455 /nfs/dbraw/zinc/17/64/55/1313176455.db2.gz SFFOPAUJKYNLOE-SJORKVTESA-N 1 3 329.504 2.635 20 0 EFADHO Cc1ccc(CCC[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001199788770 1295753104 /nfs/dbraw/zinc/75/31/04/1295753104.db2.gz ZWFMWUAUKLMZAA-FQEVSTJZSA-N 1 3 343.515 2.602 20 0 EFADHO Fc1cccc(OC2CCN(C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903769859 1313183070 /nfs/dbraw/zinc/18/30/70/1313183070.db2.gz PXVDXAYQYSGVNP-LJQANCHMSA-N 1 3 348.462 2.828 20 0 EFADHO CCOC(=O)CCCN1Cc2ccccc2C2(CC[NH+](C)CC2)C1 ZINC001277877917 1313183234 /nfs/dbraw/zinc/18/32/34/1313183234.db2.gz OKXQZAJZLLJITR-UHFFFAOYSA-N 1 3 330.472 2.809 20 0 EFADHO C[N@H+](CC1CC1)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017125780 1313185361 /nfs/dbraw/zinc/18/53/61/1313185361.db2.gz FIYYGNIMPDHTBC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CC1)C[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001017125780 1313185366 /nfs/dbraw/zinc/18/53/66/1313185366.db2.gz FIYYGNIMPDHTBC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCOC(=O)CCCC[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277881091 1313185956 /nfs/dbraw/zinc/18/59/56/1313185956.db2.gz SESHVZRMBHWLCR-HDICACEKSA-N 1 3 347.503 2.892 20 0 EFADHO CCOC(=O)CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001277881091 1313185959 /nfs/dbraw/zinc/18/59/59/1313185959.db2.gz SESHVZRMBHWLCR-HDICACEKSA-N 1 3 347.503 2.892 20 0 EFADHO CCC[N@H+](C[C@@H](O)CN(C)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001412951375 1295934052 /nfs/dbraw/zinc/93/40/52/1295934052.db2.gz TVAXAEFTGQWXMG-SFTDATJTSA-N 1 3 347.547 2.676 20 0 EFADHO CCC[N@@H+](C[C@@H](O)CN(C)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001412951375 1295934059 /nfs/dbraw/zinc/93/40/59/1295934059.db2.gz TVAXAEFTGQWXMG-SFTDATJTSA-N 1 3 347.547 2.676 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142789 1313198915 /nfs/dbraw/zinc/19/89/15/1313198915.db2.gz PMHPTYDDGMNAKA-QAPCUYQASA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1)C1CC1 ZINC001017142789 1313198916 /nfs/dbraw/zinc/19/89/16/1313198916.db2.gz PMHPTYDDGMNAKA-QAPCUYQASA-N 1 3 349.544 2.759 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccccc3)C2)CCC1 ZINC001017143733 1313199014 /nfs/dbraw/zinc/19/90/14/1313199014.db2.gz YUHHRBRZTPMLCN-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC001017143733 1313199018 /nfs/dbraw/zinc/19/90/18/1313199018.db2.gz YUHHRBRZTPMLCN-LJQANCHMSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccccc1)N(C)C ZINC001049704025 1313200663 /nfs/dbraw/zinc/20/06/63/1313200663.db2.gz OEOKBMPWJPNRPZ-SLFFLAALSA-N 1 3 343.515 2.838 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1)N(C)C ZINC001049704025 1313200666 /nfs/dbraw/zinc/20/06/66/1313200666.db2.gz OEOKBMPWJPNRPZ-SLFFLAALSA-N 1 3 343.515 2.838 20 0 EFADHO CC(=O)NCCN1CCC2(CCC[N@H+](CCCC(F)(F)F)C2)CC1 ZINC001277905366 1313204405 /nfs/dbraw/zinc/20/44/05/1313204405.db2.gz CGRICRZYTYCKIC-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO CC(=O)NCCN1CCC2(CCC[N@@H+](CCCC(F)(F)F)C2)CC1 ZINC001277905366 1313204406 /nfs/dbraw/zinc/20/44/06/1313204406.db2.gz CGRICRZYTYCKIC-UHFFFAOYSA-N 1 3 349.441 2.643 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001037243727 1295997432 /nfs/dbraw/zinc/99/74/32/1295997432.db2.gz CHIFOZTVMNJHHT-JKSUJKDBSA-N 1 3 346.500 2.787 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001037243724 1295997977 /nfs/dbraw/zinc/99/79/77/1295997977.db2.gz CHIFOZTVMNJHHT-CVEARBPZSA-N 1 3 346.500 2.787 20 0 EFADHO COc1ccccc1N1CCN(CC2CC3(C2)CC[NH2+]CC3)CC1 ZINC001204870103 1313204824 /nfs/dbraw/zinc/20/48/24/1313204824.db2.gz PAEFVQKWSQWWTD-UHFFFAOYSA-N 1 3 329.488 2.597 20 0 EFADHO CCC[C@@H]1CN(C[C@@H](O)C[N@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965130 1296019736 /nfs/dbraw/zinc/01/97/36/1296019736.db2.gz CIHLKWGPDHEYHV-RTWAWAEBSA-N 1 3 347.547 2.674 20 0 EFADHO CCC[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C(C)C)CCN1Cc1ccccc1 ZINC001412965130 1296019740 /nfs/dbraw/zinc/01/97/40/1296019740.db2.gz CIHLKWGPDHEYHV-RTWAWAEBSA-N 1 3 347.547 2.674 20 0 EFADHO Fc1cccc(F)c1[C@@H]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903783771 1313207753 /nfs/dbraw/zinc/20/77/53/1313207753.db2.gz CHTPGJLQRKJSPW-HUUCEWRRSA-N 1 3 336.426 2.913 20 0 EFADHO COCCN(Cc1ccc(C)c(C)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903785077 1313210563 /nfs/dbraw/zinc/21/05/63/1313210563.db2.gz VZDAMGAEWXOUBE-FQEVSTJZSA-N 1 3 346.515 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001037247505 1296062209 /nfs/dbraw/zinc/06/22/09/1296062209.db2.gz PMTYSMBAGDRMFZ-IAGOWNOFSA-N 1 3 346.519 2.961 20 0 EFADHO COc1ccccc1NC(=O)[C@H]1CCCN(C[C@H]2CCCC[NH2+]C2)C1 ZINC000903786996 1313212856 /nfs/dbraw/zinc/21/28/56/1313212856.db2.gz SRSSLFRMOMXOLA-IRXDYDNUSA-N 1 3 345.487 2.735 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc2ccoc21 ZINC001274625805 1296120546 /nfs/dbraw/zinc/12/05/46/1296120546.db2.gz JHJZKDRPNGQXHO-QZTJIDSGSA-N 1 3 341.455 2.560 20 0 EFADHO CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2ccoc21 ZINC001274625805 1296120559 /nfs/dbraw/zinc/12/05/59/1296120559.db2.gz JHJZKDRPNGQXHO-QZTJIDSGSA-N 1 3 341.455 2.560 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC000959852978 1296144821 /nfs/dbraw/zinc/14/48/21/1296144821.db2.gz XYICUVKHKVUXQR-WCIQWLHISA-N 1 3 345.531 2.796 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC000959852978 1296144827 /nfs/dbraw/zinc/14/48/27/1296144827.db2.gz XYICUVKHKVUXQR-WCIQWLHISA-N 1 3 345.531 2.796 20 0 EFADHO CCOc1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)nc1 ZINC000903792475 1313221306 /nfs/dbraw/zinc/22/13/06/1313221306.db2.gz BTHRZYCZOWCBDU-UHFFFAOYSA-N 1 3 325.456 2.973 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@H+](Cc3ccc(C4CC4)cc3)C2)C1=O ZINC001274816166 1296178809 /nfs/dbraw/zinc/17/88/09/1296178809.db2.gz CVGZPYXHTMNPEV-NRFANRHFSA-N 1 3 341.499 2.550 20 0 EFADHO CN(C)CCN1CC[C@]2(CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)C1=O ZINC001274816166 1296178817 /nfs/dbraw/zinc/17/88/17/1296178817.db2.gz CVGZPYXHTMNPEV-NRFANRHFSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)CCNC(=O)[C@@H](C)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794182 1313224573 /nfs/dbraw/zinc/22/45/73/1313224573.db2.gz PFZQXVNOMGMBFN-QGZVFWFLSA-N 1 3 331.504 2.530 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCC1 ZINC000959895165 1296205421 /nfs/dbraw/zinc/20/54/21/1296205421.db2.gz PMWQPASRMNKBFW-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21)N1CCCCC1 ZINC000959895165 1296205436 /nfs/dbraw/zinc/20/54/36/1296205436.db2.gz PMWQPASRMNKBFW-PIIMJCKOSA-N 1 3 347.547 2.734 20 0 EFADHO C[NH+](C)CCN1CCC2(CN(CCCc3ccccc3Cl)C2)C1 ZINC001274891948 1296210899 /nfs/dbraw/zinc/21/08/99/1296210899.db2.gz IPGZEPZTGHUOSD-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000959924999 1296241196 /nfs/dbraw/zinc/24/11/96/1296241196.db2.gz KPYITCXVDAUEHK-ROUUACIJSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C ZINC000959925024 1296241867 /nfs/dbraw/zinc/24/18/67/1296241867.db2.gz LLUBWNPAUHKWOH-OALUTQOASA-N 1 3 347.478 2.699 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000959928265 1296247177 /nfs/dbraw/zinc/24/71/77/1296247177.db2.gz WXKRXKQKQFMYJY-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO Fc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001275298757 1296252057 /nfs/dbraw/zinc/25/20/57/1296252057.db2.gz WWROHUMCMAYYEV-UHFFFAOYSA-N 1 3 328.435 2.620 20 0 EFADHO CC(C)(C)OC(=O)NCCCCN1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092038 1313240014 /nfs/dbraw/zinc/24/00/14/1313240014.db2.gz WJTSDMDCDQJNBO-MRXNPFEDSA-N 1 3 347.450 2.612 20 0 EFADHO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277922332 1313241387 /nfs/dbraw/zinc/24/13/87/1313241387.db2.gz KPTOIULWKRSFNK-QXAKKESOSA-N 1 3 347.547 2.878 20 0 EFADHO CCCC[C@H](CC)C[N@H+]1C[C@H]2C(=O)NC3(CCN(C4CC4)CC3)[C@@H]2C1 ZINC001277922332 1313241391 /nfs/dbraw/zinc/24/13/91/1313241391.db2.gz KPTOIULWKRSFNK-QXAKKESOSA-N 1 3 347.547 2.878 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC000960022015 1296368375 /nfs/dbraw/zinc/36/83/75/1296368375.db2.gz KEHINALYLZFLDG-SFHVURJKSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)C1CCC1 ZINC000960021981 1296369907 /nfs/dbraw/zinc/36/99/07/1296369907.db2.gz ILQPSILLLRSHMQ-IBGZPJMESA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)C1CCC1 ZINC000960022686 1296372551 /nfs/dbraw/zinc/37/25/51/1296372551.db2.gz PFZVDOFAILZGQK-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)N(C)C ZINC000960044621 1296398977 /nfs/dbraw/zinc/39/89/77/1296398977.db2.gz UOHPKLLZDIQBOT-ZWKOTPCHSA-N 1 3 335.467 2.637 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cncc2ccccc21 ZINC001275847117 1296434505 /nfs/dbraw/zinc/43/45/05/1296434505.db2.gz MFDMJKLLYBLSAH-IHWFROFDSA-N 1 3 338.499 2.881 20 0 EFADHO CC(C)Oc1ccc(CN2CCC[C@](O)(C[NH3+])CC2)cc1Cl ZINC001205239700 1313257092 /nfs/dbraw/zinc/25/70/92/1313257092.db2.gz CLGSIEBKRNCFQP-QGZVFWFLSA-N 1 3 326.868 2.803 20 0 EFADHO [NH3+]C[C@@]1(O)CCCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001205249780 1313259377 /nfs/dbraw/zinc/25/93/77/1313259377.db2.gz ZNLRKLNTZVWNSB-QGZVFWFLSA-N 1 3 335.835 2.671 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC000960131037 1296489904 /nfs/dbraw/zinc/48/99/04/1296489904.db2.gz LWHMXJAEXYXGBP-APWZRJJASA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC000960130986 1296490137 /nfs/dbraw/zinc/49/01/37/1296490137.db2.gz KWRRORNEYFEVDK-WBVHZDCISA-N 1 3 335.517 2.561 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1csc(C)c1)N(C)C ZINC000960131244 1296491436 /nfs/dbraw/zinc/49/14/36/1296491436.db2.gz RSRNSSPZUDWKLR-IRXDYDNUSA-N 1 3 337.533 2.867 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(F)c2)C1 ZINC000960132713 1296493140 /nfs/dbraw/zinc/49/31/40/1296493140.db2.gz YVXBCIZOMGYWFB-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC000960137872 1296498171 /nfs/dbraw/zinc/49/81/71/1296498171.db2.gz WOHUMIHVJLIWNV-SXLOBPIMSA-N 1 3 343.515 2.985 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC000960151406 1296514418 /nfs/dbraw/zinc/51/44/18/1296514418.db2.gz PLFKCJJPHSSPBM-KRWDZBQOSA-N 1 3 330.476 2.503 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209457 1313266914 /nfs/dbraw/zinc/26/69/14/1313266914.db2.gz PKGMBFMDHAMMTE-ZWKOTPCHSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H](C[N@@H+](C)CC3CC(C)(C)C3)C2)C1 ZINC001017209457 1313266918 /nfs/dbraw/zinc/26/69/18/1313266918.db2.gz PKGMBFMDHAMMTE-ZWKOTPCHSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccsc3)C2)C1 ZINC001017209604 1313267293 /nfs/dbraw/zinc/26/72/93/1313267293.db2.gz RCMRSUNFYGUENI-SJORKVTESA-N 1 3 349.544 2.760 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)C1 ZINC001017209604 1313267298 /nfs/dbraw/zinc/26/72/98/1313267298.db2.gz RCMRSUNFYGUENI-SJORKVTESA-N 1 3 349.544 2.760 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC000960169738 1296536344 /nfs/dbraw/zinc/53/63/44/1296536344.db2.gz AMFPJCQMMWJJQA-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC000960169738 1296536352 /nfs/dbraw/zinc/53/63/52/1296536352.db2.gz AMFPJCQMMWJJQA-ZGXWSNOMSA-N 1 3 347.547 2.878 20 0 EFADHO COC(=O)c1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235232259 1313270528 /nfs/dbraw/zinc/27/05/28/1313270528.db2.gz WYUYPWDMOWBHES-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001017210166 1313268243 /nfs/dbraw/zinc/26/82/43/1313268243.db2.gz XGTWUCYPVSRJSJ-XBMUEBEBSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001017210166 1313268248 /nfs/dbraw/zinc/26/82/48/1313268248.db2.gz XGTWUCYPVSRJSJ-XBMUEBEBSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210189 1313268295 /nfs/dbraw/zinc/26/82/95/1313268295.db2.gz XNWKOEARNFXPKC-ICSRJNTNSA-N 1 3 347.547 2.999 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001017210189 1313268298 /nfs/dbraw/zinc/26/82/98/1313268298.db2.gz XNWKOEARNFXPKC-ICSRJNTNSA-N 1 3 347.547 2.999 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017214798 1313269429 /nfs/dbraw/zinc/26/94/29/1313269429.db2.gz YNBYAMPAJJCSAE-WMZOPIPTSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)N(C)C ZINC001017214798 1313269433 /nfs/dbraw/zinc/26/94/33/1313269433.db2.gz YNBYAMPAJJCSAE-WMZOPIPTSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017214123 1313269559 /nfs/dbraw/zinc/26/95/59/1313269559.db2.gz VFXNNBHZQULVQX-RDJZCZTQSA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccsc2)C1)N(C)C ZINC001017214123 1313269563 /nfs/dbraw/zinc/26/95/63/1313269563.db2.gz VFXNNBHZQULVQX-RDJZCZTQSA-N 1 3 337.533 2.759 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)C1CCC1 ZINC001201066872 1296548208 /nfs/dbraw/zinc/54/82/08/1296548208.db2.gz RIKQBXFELRZGNU-UHFFFAOYSA-N 1 3 343.515 2.684 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH2+]CCCCC(F)(F)F)CC2)CCC1 ZINC001201038315 1296556995 /nfs/dbraw/zinc/55/69/95/1296556995.db2.gz YIBVAONZOZILQR-UHFFFAOYSA-N 1 3 349.441 2.784 20 0 EFADHO COC(=O)c1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)ccc1OC ZINC001235241195 1313271655 /nfs/dbraw/zinc/27/16/55/1313271655.db2.gz ZHKPWLFZYXHWHP-GOSISDBHSA-N 1 3 346.471 2.836 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)C1CC1 ZINC001201052997 1296565107 /nfs/dbraw/zinc/56/51/07/1296565107.db2.gz ISSJTBMSXUOOKW-FQEVSTJZSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc2c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c[nH]c21 ZINC001276054957 1296583549 /nfs/dbraw/zinc/58/35/49/1296583549.db2.gz OVDACBUXKSLZIH-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1cccc2c(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c[nH]c21 ZINC001276054957 1296583558 /nfs/dbraw/zinc/58/35/58/1296583558.db2.gz OVDACBUXKSLZIH-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001201149708 1296591878 /nfs/dbraw/zinc/59/18/78/1296591878.db2.gz HUGABJHFCJVDOV-WUQYLLKWSA-N 1 3 343.515 2.867 20 0 EFADHO C[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222529 1313275625 /nfs/dbraw/zinc/27/56/25/1313275625.db2.gz VRFYTOJRSNCLRU-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO C[N@@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001017222529 1313275628 /nfs/dbraw/zinc/27/56/28/1313275628.db2.gz VRFYTOJRSNCLRU-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]C/C=C\c2ccccc2)CC1)N(C)C ZINC001201238924 1296645859 /nfs/dbraw/zinc/64/58/59/1296645859.db2.gz FETIVZRHOJPHBQ-SCEWNMGZSA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCc2cccc(C)c2)CC1)N(C)C ZINC001201239330 1296647363 /nfs/dbraw/zinc/64/73/63/1296647363.db2.gz JFIPTRDGPFDSTL-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC1 ZINC000960263371 1296667905 /nfs/dbraw/zinc/66/79/05/1296667905.db2.gz VVHHATDKUZCZEX-VAMGGRTRSA-N 1 3 341.499 2.641 20 0 EFADHO CCn1cc(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276242468 1296673352 /nfs/dbraw/zinc/67/33/52/1296673352.db2.gz NCSLYWAEYOQSDE-HDICACEKSA-N 1 3 327.476 2.575 20 0 EFADHO CCn1cc(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)cn1 ZINC001276242468 1296673371 /nfs/dbraw/zinc/67/33/71/1296673371.db2.gz NCSLYWAEYOQSDE-HDICACEKSA-N 1 3 327.476 2.575 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C ZINC000960272838 1296682196 /nfs/dbraw/zinc/68/21/96/1296682196.db2.gz KVQIKNWDUFMCIE-VAMGGRTRSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461567 1313293396 /nfs/dbraw/zinc/29/33/96/1313293396.db2.gz NQWLWBFGOYFJJM-QFBILLFUSA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CCCC(C)(C)C)CC1)C1CC1 ZINC001205462389 1313293553 /nfs/dbraw/zinc/29/35/53/1313293553.db2.gz WOTFYDYGCMDSLP-SFHVURJKSA-N 1 3 337.552 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC1CCCC1)C1CC1 ZINC001235337549 1313295172 /nfs/dbraw/zinc/29/51/72/1313295172.db2.gz UIIWIFCUWFYSQS-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1)C1CC1 ZINC001235337549 1313295174 /nfs/dbraw/zinc/29/51/74/1313295174.db2.gz UIIWIFCUWFYSQS-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H]1CC1(C)C ZINC001413011043 1296724643 /nfs/dbraw/zinc/72/46/43/1296724643.db2.gz LVLCBUYVPIECMC-SQNIBIBYSA-N 1 3 331.504 2.820 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC001201321958 1296727772 /nfs/dbraw/zinc/72/77/72/1296727772.db2.gz YFLRXZVWPMJPJX-UHFFFAOYSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001201326958 1296729914 /nfs/dbraw/zinc/72/99/14/1296729914.db2.gz FZTGRQPVRFJSAW-IXDOHACOSA-N 1 3 335.536 2.734 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC001201327119 1296730998 /nfs/dbraw/zinc/73/09/98/1296730998.db2.gz GQOZTLHLSKYTMP-MRXNPFEDSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCC(C)(C)C)CC1)N(C)C ZINC001205490620 1313299069 /nfs/dbraw/zinc/29/90/69/1313299069.db2.gz ORNGWHJYFLJHOP-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CCCCCF)CC1)N(C)C ZINC001205490505 1313299105 /nfs/dbraw/zinc/29/91/05/1313299105.db2.gz JUQZOZKKARHUCU-KRWDZBQOSA-N 1 3 329.504 2.541 20 0 EFADHO NC[C@@]12CC[C@H]1CC[N@@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858594 1313305072 /nfs/dbraw/zinc/30/50/72/1313305072.db2.gz YZJJDMLKQVUGGP-GUYCJALGSA-N 1 3 332.835 2.746 20 0 EFADHO NC[C@@]12CC[C@H]1CC[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000903858594 1313305075 /nfs/dbraw/zinc/30/50/75/1313305075.db2.gz YZJJDMLKQVUGGP-GUYCJALGSA-N 1 3 332.835 2.746 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001205548868 1313310428 /nfs/dbraw/zinc/31/04/28/1313310428.db2.gz LKHHRESIPXCROA-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO COc1ccc(Cl)cc1N1CC[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925574863 1296858600 /nfs/dbraw/zinc/85/86/00/1296858600.db2.gz FNCVOCYLQUGSJZ-RRQGHBQHSA-N 1 3 335.879 2.787 20 0 EFADHO COc1nc(OC)c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC001235431207 1313320092 /nfs/dbraw/zinc/32/00/92/1313320092.db2.gz MTJBFYMFRCKSDY-HZPDHXFCSA-N 1 3 333.476 2.619 20 0 EFADHO CC(C)=CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211233638 1314461245 /nfs/dbraw/zinc/46/12/45/1314461245.db2.gz KOTHVFDHACYBLO-IBGZPJMESA-N 1 3 329.488 2.909 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]C/C=C\Cl)C2)c1 ZINC001211233251 1314461253 /nfs/dbraw/zinc/46/12/53/1314461253.db2.gz ABVHEQWIELAVHU-VWTAQGJOSA-N 1 3 335.879 2.695 20 0 EFADHO C[C@H]1CCN(Cc2cc(O)cc(Br)c2)CC[C@@H]1C[NH3+] ZINC001205637496 1313328491 /nfs/dbraw/zinc/32/84/91/1313328491.db2.gz HNLZGODIMURDRV-WCQYABFASA-N 1 3 327.266 2.962 20 0 EFADHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684245 1313337560 /nfs/dbraw/zinc/33/75/60/1313337560.db2.gz KIGALNCBCZZNJB-UHFFFAOYSA-N 1 3 326.444 2.946 20 0 EFADHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cnoc1)CC2 ZINC001205684245 1313337564 /nfs/dbraw/zinc/33/75/64/1313337564.db2.gz KIGALNCBCZZNJB-UHFFFAOYSA-N 1 3 326.444 2.946 20 0 EFADHO O=C1C[C@]2(CCN(CC[C@@H]3CCCC[NH2+]3)C2)CN1c1ccc(F)cc1 ZINC001235525266 1313344186 /nfs/dbraw/zinc/34/41/86/1313344186.db2.gz HZYCVPQBOHFRJE-PXNSSMCTSA-N 1 3 345.462 2.787 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960478014 1297069570 /nfs/dbraw/zinc/06/95/70/1297069570.db2.gz KASANFHXISZWBE-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960478014 1297069584 /nfs/dbraw/zinc/06/95/84/1297069584.db2.gz KASANFHXISZWBE-AZUAARDMSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C[C@H]1CCN1CCCCCF)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235511306 1313339827 /nfs/dbraw/zinc/33/98/27/1313339827.db2.gz FWJYYDYXFFLSAI-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CN(C[C@H]1CCN1CCCCCF)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235511306 1313339829 /nfs/dbraw/zinc/33/98/29/1313339829.db2.gz FWJYYDYXFFLSAI-DLBZAZTESA-N 1 3 327.488 2.533 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000960480925 1297078283 /nfs/dbraw/zinc/07/82/83/1297078283.db2.gz UTYIRGRPGDQNIE-OALUTQOASA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000960480925 1297078299 /nfs/dbraw/zinc/07/82/99/1297078299.db2.gz UTYIRGRPGDQNIE-OALUTQOASA-N 1 3 347.478 2.673 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512219 1313340417 /nfs/dbraw/zinc/34/04/17/1313340417.db2.gz HPETVYUQFCYLFG-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C[C@H]1CCN1CCCC1CCC1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512219 1313340421 /nfs/dbraw/zinc/34/04/21/1313340421.db2.gz HPETVYUQFCYLFG-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000960484676 1297084885 /nfs/dbraw/zinc/08/48/85/1297084885.db2.gz AHUIMLYROLLXPI-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000960484676 1297084898 /nfs/dbraw/zinc/08/48/98/1297084898.db2.gz AHUIMLYROLLXPI-QZTJIDSGSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCCCC1 ZINC000960484917 1297087524 /nfs/dbraw/zinc/08/75/24/1297087524.db2.gz BUWZVCBIMAUPOE-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCCCC1 ZINC000960484917 1297087538 /nfs/dbraw/zinc/08/75/38/1297087538.db2.gz BUWZVCBIMAUPOE-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC000960485393 1297091503 /nfs/dbraw/zinc/09/15/03/1297091503.db2.gz DNSLEFYANBRWMY-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)c(C)c1 ZINC000960485393 1297091519 /nfs/dbraw/zinc/09/15/19/1297091519.db2.gz DNSLEFYANBRWMY-VQTJNVASSA-N 1 3 343.515 2.820 20 0 EFADHO [NH3+]CCCCCCN1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001235517825 1313341886 /nfs/dbraw/zinc/34/18/86/1313341886.db2.gz PLNWZGWXDLZDEB-AZUAARDMSA-N 1 3 347.503 2.851 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960491072 1297101691 /nfs/dbraw/zinc/10/16/91/1297101691.db2.gz YGHDHPIRUVJTOP-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960491072 1297101697 /nfs/dbraw/zinc/10/16/97/1297101697.db2.gz YGHDHPIRUVJTOP-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960491082 1297101731 /nfs/dbraw/zinc/10/17/31/1297101731.db2.gz YMYQBXKDNZJFHX-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC000960491082 1297101735 /nfs/dbraw/zinc/10/17/35/1297101735.db2.gz YMYQBXKDNZJFHX-UXHICEINSA-N 1 3 343.515 2.766 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCCCO)CC2 ZINC001235562289 1313352330 /nfs/dbraw/zinc/35/23/30/1313352330.db2.gz YARQBWSZINVBAB-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO COc1ccc2c(OC)ccc(CN3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205735543 1313347195 /nfs/dbraw/zinc/34/71/95/1313347195.db2.gz NLVUUVHEFGHBOM-HXUWFJFHSA-N 1 3 344.455 2.533 20 0 EFADHO CC(C)[NH+]1CCC2(CC1)Cc1ccccc1CN(CCN(C)C)C2=O ZINC001273914854 1297138764 /nfs/dbraw/zinc/13/87/64/1297138764.db2.gz KDHIVZRFXSSKOO-UHFFFAOYSA-N 1 3 343.515 2.624 20 0 EFADHO Fc1ccc(C[C@H]2CCCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903887057 1313352252 /nfs/dbraw/zinc/35/22/52/1313352252.db2.gz WYRSFUASGCHXFQ-MSOLQXFVSA-N 1 3 343.450 2.549 20 0 EFADHO COCC(COC)[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000929847642 1297212357 /nfs/dbraw/zinc/21/23/57/1297212357.db2.gz MQHBKDJGCZZRCA-QUCCMNQESA-N 1 3 332.488 2.634 20 0 EFADHO COCC(COC)[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000929847642 1297212369 /nfs/dbraw/zinc/21/23/69/1297212369.db2.gz MQHBKDJGCZZRCA-QUCCMNQESA-N 1 3 332.488 2.634 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001235587579 1313356018 /nfs/dbraw/zinc/35/60/18/1313356018.db2.gz FEJSJHALLLRMKH-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1)N(C)C ZINC001235587579 1313356021 /nfs/dbraw/zinc/35/60/21/1313356021.db2.gz FEJSJHALLLRMKH-ROUUACIJSA-N 1 3 335.536 2.686 20 0 EFADHO O=C(c1ccc(CN2CCCCC2)o1)N1CC[NH+](C2CCCC2)CC1 ZINC000929912982 1297216085 /nfs/dbraw/zinc/21/60/85/1297216085.db2.gz GZKCKYZQTAMMKY-UHFFFAOYSA-N 1 3 345.487 2.966 20 0 EFADHO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCN(C2CCCC2)CC1 ZINC000929912982 1297216095 /nfs/dbraw/zinc/21/60/95/1297216095.db2.gz GZKCKYZQTAMMKY-UHFFFAOYSA-N 1 3 345.487 2.966 20 0 EFADHO CC[C@H](C)[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001273923590 1297217451 /nfs/dbraw/zinc/21/74/51/1297217451.db2.gz TWLAHLRIUSOKLU-INIZCTEOSA-N 1 3 329.488 2.727 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001235589816 1313356896 /nfs/dbraw/zinc/35/68/96/1313356896.db2.gz UURZDWIRSFYALI-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001235589816 1313356900 /nfs/dbraw/zinc/35/69/00/1313356900.db2.gz UURZDWIRSFYALI-OALUTQOASA-N 1 3 335.536 2.996 20 0 EFADHO Cc1ccccc1[C@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890134 1313359020 /nfs/dbraw/zinc/35/90/20/1313359020.db2.gz YOMXBPFUVUCUOL-DLBZAZTESA-N 1 3 325.460 2.501 20 0 EFADHO Cc1ccccc1[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903890136 1313359091 /nfs/dbraw/zinc/35/90/91/1313359091.db2.gz YOMXBPFUVUCUOL-IAGOWNOFSA-N 1 3 325.460 2.501 20 0 EFADHO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](CC[C@H]3CNCCO3)CC[C@@H]21 ZINC001235634679 1313363304 /nfs/dbraw/zinc/36/33/04/1313363304.db2.gz BFEIMLKEDFAUKS-CUWPLCDZSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)CN1c2ccccc2[C@@H]2C[N@H+](CC[C@H]3CNCCO3)CC[C@@H]21 ZINC001235634679 1313363308 /nfs/dbraw/zinc/36/33/08/1313363308.db2.gz BFEIMLKEDFAUKS-CUWPLCDZSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+](CC[C@@H]3CNCCO3)CC[C@@H]21 ZINC001235634682 1313363783 /nfs/dbraw/zinc/36/37/83/1313363783.db2.gz BFEIMLKEDFAUKS-LMNJBCLMSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)CN1c2ccccc2[C@@H]2C[N@H+](CC[C@@H]3CNCCO3)CC[C@@H]21 ZINC001235634682 1313363786 /nfs/dbraw/zinc/36/37/86/1313363786.db2.gz BFEIMLKEDFAUKS-LMNJBCLMSA-N 1 3 343.515 2.699 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001202178758 1297272780 /nfs/dbraw/zinc/27/27/80/1297272780.db2.gz OUPZFGATHXXJDY-PCGPPNOCSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CCC(NC/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001202178758 1297272787 /nfs/dbraw/zinc/27/27/87/1297272787.db2.gz OUPZFGATHXXJDY-PCGPPNOCSA-N 1 3 348.318 2.616 20 0 EFADHO COC(=O)CCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202263160 1297294659 /nfs/dbraw/zinc/29/46/59/1297294659.db2.gz JNGXNMKKVVCSAQ-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202263160 1297294667 /nfs/dbraw/zinc/29/46/67/1297294667.db2.gz JNGXNMKKVVCSAQ-FQEVSTJZSA-N 1 3 330.472 2.928 20 0 EFADHO CC1(CN2CCN(c3nc4ccccc4s3)CC2)CC[NH2+]CC1 ZINC001235658796 1313368080 /nfs/dbraw/zinc/36/80/80/1313368080.db2.gz GBPXNJVZYWCKHI-UHFFFAOYSA-N 1 3 330.501 2.808 20 0 EFADHO Cc1ccccc1[C@@H]1C[C@@H](C)N(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903896222 1313370181 /nfs/dbraw/zinc/37/01/81/1313370181.db2.gz UHDFQEPWHUMHHV-KZNAEPCWSA-N 1 3 339.487 2.889 20 0 EFADHO [NH3+]CCCCCN1CCN(Cc2ccc(Br)cc2)CC1 ZINC001235689313 1313375625 /nfs/dbraw/zinc/37/56/25/1313375625.db2.gz CXEZFTKWEMTMMX-UHFFFAOYSA-N 1 3 340.309 2.696 20 0 EFADHO COc1cccc(O[C@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)c1 ZINC001235687970 1313376038 /nfs/dbraw/zinc/37/60/38/1313376038.db2.gz LBWIYZROKNHYEK-FQEVSTJZSA-N 1 3 341.455 2.643 20 0 EFADHO Cc1ccc(O[C@@H]2CCCN(Cc3ccc4n3CC[NH2+]C4)C2)cc1 ZINC001235689261 1313376153 /nfs/dbraw/zinc/37/61/53/1313376153.db2.gz YZCHPJNNCWXUDT-HXUWFJFHSA-N 1 3 325.456 2.943 20 0 EFADHO CC(C)(C)OC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235694720 1313377493 /nfs/dbraw/zinc/37/74/93/1313377493.db2.gz IUJAWDKDXWWDQE-SFHVURJKSA-N 1 3 330.472 2.886 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC000960666317 1297391349 /nfs/dbraw/zinc/39/13/49/1297391349.db2.gz BXPBGJVYJBCTID-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC000960666317 1297391361 /nfs/dbraw/zinc/39/13/61/1297391361.db2.gz BXPBGJVYJBCTID-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC000960666198 1297391749 /nfs/dbraw/zinc/39/17/49/1297391749.db2.gz APAJDCSYUPFOFL-RBUKOAKNSA-N 1 3 347.478 2.589 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847726 1313382633 /nfs/dbraw/zinc/38/26/33/1313382633.db2.gz GAYQVBCJRZBURV-BACDZXNISA-N 1 3 344.503 2.799 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001049847726 1313382636 /nfs/dbraw/zinc/38/26/36/1313382636.db2.gz GAYQVBCJRZBURV-BACDZXNISA-N 1 3 344.503 2.799 20 0 EFADHO CN(C[C@@H]1CCN1CCCCCF)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235727084 1313384147 /nfs/dbraw/zinc/38/41/47/1313384147.db2.gz WXLOKVBJHMZAIX-KRWDZBQOSA-N 1 3 339.499 2.535 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849065 1313384253 /nfs/dbraw/zinc/38/42/53/1313384253.db2.gz NDBHMYHRFPSHPF-RRFJBIMHSA-N 1 3 336.455 2.501 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049849065 1313384257 /nfs/dbraw/zinc/38/42/57/1313384257.db2.gz NDBHMYHRFPSHPF-RRFJBIMHSA-N 1 3 336.455 2.501 20 0 EFADHO CC/C=C\CCN1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001235725768 1313384691 /nfs/dbraw/zinc/38/46/91/1313384691.db2.gz UJUHAYVVBHKTLZ-XDXAGZTOSA-N 1 3 333.520 2.751 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683495 1297417486 /nfs/dbraw/zinc/41/74/86/1297417486.db2.gz RHKRXYLMHKMCCP-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CC1 ZINC000960683495 1297417493 /nfs/dbraw/zinc/41/74/93/1297417493.db2.gz RHKRXYLMHKMCCP-ZWKOTPCHSA-N 1 3 335.536 2.686 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1)C1CC1 ZINC000960686368 1297420390 /nfs/dbraw/zinc/42/03/90/1297420390.db2.gz WNWXQCHLNJGMQH-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1)C1CC1 ZINC000960686368 1297420393 /nfs/dbraw/zinc/42/03/93/1297420393.db2.gz WNWXQCHLNJGMQH-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CCCCC2)CCC1 ZINC000960695209 1297431711 /nfs/dbraw/zinc/43/17/11/1297431711.db2.gz ZLZXPZJDFWBMJT-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCCCC2)CCC1 ZINC000960695209 1297431714 /nfs/dbraw/zinc/43/17/14/1297431714.db2.gz ZLZXPZJDFWBMJT-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851228 1313387034 /nfs/dbraw/zinc/38/70/34/1313387034.db2.gz WOHOLVFQISETQX-JYJNAYRXSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851228 1313387038 /nfs/dbraw/zinc/38/70/38/1313387038.db2.gz WOHOLVFQISETQX-JYJNAYRXSA-N 1 3 332.492 2.799 20 0 EFADHO COc1cc(CN2CCC(C3CC[NH2+]CC3)CC2)cc2c1OCO2 ZINC001235701931 1313380075 /nfs/dbraw/zinc/38/00/75/1313380075.db2.gz OLMNNCZFQRLEOL-UHFFFAOYSA-N 1 3 332.444 2.636 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852102 1313388530 /nfs/dbraw/zinc/38/85/30/1313388530.db2.gz ZYCWJKXHPUDKIQ-JKSUJKDBSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1)c1c[nH]cn1 ZINC001049852102 1313388533 /nfs/dbraw/zinc/38/85/33/1313388533.db2.gz ZYCWJKXHPUDKIQ-JKSUJKDBSA-N 1 3 330.476 2.553 20 0 EFADHO C[C@H]1CN(Cc2cc(O)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001205995952 1313388711 /nfs/dbraw/zinc/38/87/11/1313388711.db2.gz SFXZTBNZYVJTEG-NWDGAFQWSA-N 1 3 327.266 2.962 20 0 EFADHO Cc1cnc(CN2CCC[C@@H](C[NH3+])[C@@H](C)C2)c(Br)c1 ZINC001206012624 1313391051 /nfs/dbraw/zinc/39/10/51/1313391051.db2.gz NAPCYSWDMWCEFO-STQMWFEESA-N 1 3 326.282 2.959 20 0 EFADHO Cc1ccc(I)cc1C[N@@H+](C)CCCN(C)C ZINC001235776329 1313392424 /nfs/dbraw/zinc/39/24/24/1313392424.db2.gz CKNBOYQMAQTQLG-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO Cc1ccc(I)cc1C[N@H+](C)CCCN(C)C ZINC001235776329 1313392427 /nfs/dbraw/zinc/39/24/27/1313392427.db2.gz CKNBOYQMAQTQLG-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO Cc1cncc(Br)c1CN1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001206022386 1313392811 /nfs/dbraw/zinc/39/28/11/1313392811.db2.gz CCWGHPSUPPVDIN-CHWSQXEVSA-N 1 3 326.282 2.959 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235790910 1313396653 /nfs/dbraw/zinc/39/66/53/1313396653.db2.gz RXCCAHMMTTZFLN-WQVCFCJDSA-N 1 3 343.849 2.777 20 0 EFADHO Fc1cccnc1O[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903909910 1313396777 /nfs/dbraw/zinc/39/67/77/1313396777.db2.gz IFQOLCCHSLPQMU-KRWDZBQOSA-N 1 3 341.430 2.910 20 0 EFADHO Cc1ccc([C@@H]2C[C@@H](C)N(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000903913129 1313403576 /nfs/dbraw/zinc/40/35/76/1313403576.db2.gz NJOKBGHIEUYZOS-BHIYHBOVSA-N 1 3 339.487 2.889 20 0 EFADHO Cc1cccc([C@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c1 ZINC000903915045 1313407043 /nfs/dbraw/zinc/40/70/43/1313407043.db2.gz XOAWYQTYDAJULE-ROUUACIJSA-N 1 3 325.460 2.501 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001211256313 1314464441 /nfs/dbraw/zinc/46/44/41/1314464441.db2.gz CVTOUHOQBWIRDB-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC000960858794 1297705743 /nfs/dbraw/zinc/70/57/43/1297705743.db2.gz AFDVEIKVYNJJMO-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1 ZINC000960858794 1297705751 /nfs/dbraw/zinc/70/57/51/1297705751.db2.gz AFDVEIKVYNJJMO-FUHWJXTLSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960861691 1297714138 /nfs/dbraw/zinc/71/41/38/1297714138.db2.gz HCVQAHLOZMBPOS-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]1CN(C)Cc1cccc(F)c1 ZINC000960861691 1297714145 /nfs/dbraw/zinc/71/41/45/1297714145.db2.gz HCVQAHLOZMBPOS-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC000960862524 1297716221 /nfs/dbraw/zinc/71/62/21/1297716221.db2.gz JOJNZDZWDJUVHA-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC000960862524 1297716228 /nfs/dbraw/zinc/71/62/28/1297716228.db2.gz JOJNZDZWDJUVHA-ABHNRTSZSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960866625 1297723423 /nfs/dbraw/zinc/72/34/23/1297723423.db2.gz ZMRJKZNPAUQJJQ-QZTJIDSGSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC(C)(C)C1)N(C)C ZINC000960866625 1297723432 /nfs/dbraw/zinc/72/34/32/1297723432.db2.gz ZMRJKZNPAUQJJQ-QZTJIDSGSA-N 1 3 337.552 2.932 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000960867360 1297723821 /nfs/dbraw/zinc/72/38/21/1297723821.db2.gz WEQBTDCOSGXYLA-MJGOQNOKSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC000960867360 1297723833 /nfs/dbraw/zinc/72/38/33/1297723833.db2.gz WEQBTDCOSGXYLA-MJGOQNOKSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868261 1297726710 /nfs/dbraw/zinc/72/67/10/1297726710.db2.gz ZRUIRGMQRMAFBB-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)cc1 ZINC000960868261 1297726717 /nfs/dbraw/zinc/72/67/17/1297726717.db2.gz ZRUIRGMQRMAFBB-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO [NH3+][C@H](Cc1ccccc1)CN(Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC001235937345 1313420304 /nfs/dbraw/zinc/42/03/04/1313420304.db2.gz PNORDMSFKATZPD-NJDAHSKKSA-N 1 3 341.474 2.759 20 0 EFADHO CCOC(=O)N1CCC(N(C)CCC[NH2+]C2CCCCC2)CC1 ZINC001235948577 1313421807 /nfs/dbraw/zinc/42/18/07/1313421807.db2.gz QFEVFDFIXRZDML-UHFFFAOYSA-N 1 3 325.497 2.852 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206274839 1313429258 /nfs/dbraw/zinc/42/92/58/1313429258.db2.gz LOLIREVMFVIOQT-GULXKOIASA-N 1 3 348.318 2.618 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CCC(CNC/C(Cl)=C\Cl)CC1 ZINC001206274839 1313429260 /nfs/dbraw/zinc/42/92/60/1313429260.db2.gz LOLIREVMFVIOQT-GULXKOIASA-N 1 3 348.318 2.618 20 0 EFADHO CCC/C=C/CC[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001206274962 1313429483 /nfs/dbraw/zinc/42/94/83/1313429483.db2.gz NJHYYGQFLJCAHZ-DUMMIQTOSA-N 1 3 335.536 2.903 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CCc2ccccc2)CC1 ZINC001206273852 1313429513 /nfs/dbraw/zinc/42/95/13/1313429513.db2.gz BDMQCJLNWLBSNW-GOSISDBHSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CCCC(C)(C)C)CC2)C1 ZINC001206275575 1313430138 /nfs/dbraw/zinc/43/01/38/1313430138.db2.gz VNSHHTGRTQHMGU-KRWDZBQOSA-N 1 3 337.552 2.983 20 0 EFADHO CC(C)C[NH2+]CC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001206275606 1313430236 /nfs/dbraw/zinc/43/02/36/1313430236.db2.gz WTYHMTMPJHYENX-IBGZPJMESA-N 1 3 341.515 2.683 20 0 EFADHO c1ccc2c(c1)CN(Cc1ccc3nonc3c1)CC21CC[NH2+]CC1 ZINC001235972776 1313425630 /nfs/dbraw/zinc/42/56/30/1313425630.db2.gz KCTABAYHLYNSGK-UHFFFAOYSA-N 1 3 334.423 2.860 20 0 EFADHO CN1CCN(c2ccc(-c3ccc(C[NH+](C)C)c(F)c3)cn2)CC1 ZINC001235977908 1313426615 /nfs/dbraw/zinc/42/66/15/1313426615.db2.gz JNYFVHSGSQUAIU-UHFFFAOYSA-N 1 3 328.435 2.701 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C(F)F)cc3)C[C@H]1CNCC2 ZINC001236039372 1313432474 /nfs/dbraw/zinc/43/24/74/1313432474.db2.gz RZVKLZGUYCFRRB-CRAIPNDOSA-N 1 3 338.398 2.599 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C(F)F)cc3)C[C@H]1CNCC2 ZINC001236039372 1313432475 /nfs/dbraw/zinc/43/24/75/1313432475.db2.gz RZVKLZGUYCFRRB-CRAIPNDOSA-N 1 3 338.398 2.599 20 0 EFADHO CC[C@@H](F)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206300373 1313432514 /nfs/dbraw/zinc/43/25/14/1313432514.db2.gz BOYGXEFWKWIEGV-MRXNPFEDSA-N 1 3 329.504 2.541 20 0 EFADHO CC[C@H](F)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206300372 1313432559 /nfs/dbraw/zinc/43/25/59/1313432559.db2.gz BOYGXEFWKWIEGV-INIZCTEOSA-N 1 3 329.504 2.541 20 0 EFADHO CC[C@H](C)C[NH2+]CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001206302427 1313432609 /nfs/dbraw/zinc/43/26/09/1313432609.db2.gz YSQSGUYKKXVOJD-INIZCTEOSA-N 1 3 325.541 2.839 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(C4CCC4)cc3)C[C@H]1CNCC2 ZINC001236041987 1313433194 /nfs/dbraw/zinc/43/31/94/1313433194.db2.gz ZMMOOUOZILBJAS-TZIWHRDSSA-N 1 3 342.483 2.929 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C4CCC4)cc3)C[C@H]1CNCC2 ZINC001236041987 1313433198 /nfs/dbraw/zinc/43/31/98/1313433198.db2.gz ZMMOOUOZILBJAS-TZIWHRDSSA-N 1 3 342.483 2.929 20 0 EFADHO CC1CC(C[NH2+]CC2CCN(C(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001206307618 1313433719 /nfs/dbraw/zinc/43/37/19/1313433719.db2.gz LIJIUEDWRAETEY-UHFFFAOYSA-N 1 3 337.552 2.839 20 0 EFADHO CN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000903930041 1313435092 /nfs/dbraw/zinc/43/50/92/1313435092.db2.gz QRWCVBBWJGWZKU-MISYRCLQSA-N 1 3 339.487 2.971 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2)CC1 ZINC000960940456 1297855338 /nfs/dbraw/zinc/85/53/38/1297855338.db2.gz PDADSEWWLJFIEK-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2)CC1 ZINC000960940456 1297855347 /nfs/dbraw/zinc/85/53/47/1297855347.db2.gz PDADSEWWLJFIEK-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2)CC1 ZINC000960940457 1297856043 /nfs/dbraw/zinc/85/60/43/1297856043.db2.gz PDADSEWWLJFIEK-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2)CC1 ZINC000960940457 1297856047 /nfs/dbraw/zinc/85/60/47/1297856047.db2.gz PDADSEWWLJFIEK-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO [NH3+]C1CN([C@H]2CCCN(Cc3cccn3-c3ccc(Cl)cc3)C2)C1 ZINC001236071881 1313437629 /nfs/dbraw/zinc/43/76/29/1313437629.db2.gz BXYHNTRPDWFNKE-SFHVURJKSA-N 1 3 344.890 2.738 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610835 1313438374 /nfs/dbraw/zinc/43/83/74/1313438374.db2.gz IZTKJWYQGZAPGD-ZSYWTGECSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610835 1313438376 /nfs/dbraw/zinc/43/83/76/1313438376.db2.gz IZTKJWYQGZAPGD-ZSYWTGECSA-N 1 3 335.536 2.686 20 0 EFADHO CCCCOc1cccc(CN2CCC[C@H](N3CC(C[NH3+])C3)C2)c1 ZINC001236077748 1313438461 /nfs/dbraw/zinc/43/84/61/1313438461.db2.gz BFXGUVNTNQDHFF-IBGZPJMESA-N 1 3 331.504 2.720 20 0 EFADHO Cc1ccc(-c2cncc(CN3CCC[C@H](N4CC([NH3+])C4)C3)c2)cc1 ZINC001236080827 1313439071 /nfs/dbraw/zinc/43/90/71/1313439071.db2.gz XKKKJFNDIUWTAK-NRFANRHFSA-N 1 3 336.483 2.664 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001236082024 1313439815 /nfs/dbraw/zinc/43/98/15/1313439815.db2.gz VINWXDPCJRNENW-UHFFFAOYSA-N 1 3 344.890 2.739 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1ccc(Oc2ccccc2)cc1 ZINC001236081284 1313440079 /nfs/dbraw/zinc/44/00/79/1313440079.db2.gz BCKXVQKKDCSPRL-UHFFFAOYSA-N 1 3 325.456 2.816 20 0 EFADHO COc1ccccc1OCC1CCN(CC[C@H]2COC(C)(C)[NH2+]2)CC1 ZINC001236108205 1313441914 /nfs/dbraw/zinc/44/19/14/1313441914.db2.gz JTWNPFLJOVWOFR-KRWDZBQOSA-N 1 3 348.487 2.901 20 0 EFADHO Cc1cccc(CN2CCC(N3CC[NH2+]CC3)CC2)c1OC(C)C ZINC001236126903 1313444222 /nfs/dbraw/zinc/44/42/22/1313444222.db2.gz GKSVVXOLORMHIH-UHFFFAOYSA-N 1 3 331.504 2.652 20 0 EFADHO CCCCOc1cccc(CN2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC001236126251 1313444341 /nfs/dbraw/zinc/44/43/41/1313444341.db2.gz AHHFIFGTURNXOW-UHFFFAOYSA-N 1 3 331.504 2.735 20 0 EFADHO CCOc1ccc(CN2CCC([NH+]3CCNCC3)CC2)c(Cl)c1 ZINC001236129673 1313444798 /nfs/dbraw/zinc/44/47/98/1313444798.db2.gz XSGWSONQDKNVQW-UHFFFAOYSA-N 1 3 337.895 2.608 20 0 EFADHO Cc1c(F)ccc(CN2CCC([NH+]3CCNCC3)CC2)c1Cl ZINC001236129009 1313444830 /nfs/dbraw/zinc/44/48/30/1313444830.db2.gz UWPXCLYXVDKFNL-UHFFFAOYSA-N 1 3 325.859 2.657 20 0 EFADHO CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C[C@@H]1CC[NH2+]C1 ZINC001236153104 1313447871 /nfs/dbraw/zinc/44/78/71/1313447871.db2.gz IVVKGVZULHSDMW-LHHMISFZSA-N 1 3 342.524 2.689 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000960981422 1297943195 /nfs/dbraw/zinc/94/31/95/1297943195.db2.gz YHBODKFRAUTOPW-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)cs1 ZINC000960981422 1297943203 /nfs/dbraw/zinc/94/32/03/1297943203.db2.gz YHBODKFRAUTOPW-AEFFLSMTSA-N 1 3 349.544 2.821 20 0 EFADHO COC(=O)C[C@H](C)N(CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001236145420 1313446979 /nfs/dbraw/zinc/44/69/79/1313446979.db2.gz XTPNLOLKGKEUDJ-RDJZCZTQSA-N 1 3 334.460 2.555 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961025729 1298022006 /nfs/dbraw/zinc/02/20/06/1298022006.db2.gz CGFUTIIWMCPQLY-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1 ZINC000961025729 1298022013 /nfs/dbraw/zinc/02/20/13/1298022013.db2.gz CGFUTIIWMCPQLY-IBGZPJMESA-N 1 3 329.488 2.514 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961026752 1298023076 /nfs/dbraw/zinc/02/30/76/1298023076.db2.gz FZCSUKUXKCNVBD-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961026752 1298023079 /nfs/dbraw/zinc/02/30/79/1298023079.db2.gz FZCSUKUXKCNVBD-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027417 1298025467 /nfs/dbraw/zinc/02/54/67/1298025467.db2.gz JSVXZFQZKVKAGM-IBGZPJMESA-N 1 3 347.478 2.653 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027417 1298025473 /nfs/dbraw/zinc/02/54/73/1298025473.db2.gz JSVXZFQZKVKAGM-IBGZPJMESA-N 1 3 347.478 2.653 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027416 1298025834 /nfs/dbraw/zinc/02/58/34/1298025834.db2.gz JOOIWEYTKCNZQC-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961027416 1298025838 /nfs/dbraw/zinc/02/58/38/1298025838.db2.gz JOOIWEYTKCNZQC-HXUWFJFHSA-N 1 3 343.515 2.768 20 0 EFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1F ZINC000961027403 1298026683 /nfs/dbraw/zinc/02/66/83/1298026683.db2.gz IVUYCEZNLPOLQU-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000961027403 1298026697 /nfs/dbraw/zinc/02/66/97/1298026697.db2.gz IVUYCEZNLPOLQU-MSOLQXFVSA-N 1 3 347.478 2.509 20 0 EFADHO CC1CCC(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000961028331 1298027804 /nfs/dbraw/zinc/02/78/04/1298027804.db2.gz NIIFLKUQOGQMMM-ACBHZAAOSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCC(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC000961028331 1298027809 /nfs/dbraw/zinc/02/78/09/1298027809.db2.gz NIIFLKUQOGQMMM-ACBHZAAOSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028974 1298029030 /nfs/dbraw/zinc/02/90/30/1298029030.db2.gz OTVVZBCAGFQLOF-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCCC2)c1 ZINC000961028974 1298029034 /nfs/dbraw/zinc/02/90/34/1298029034.db2.gz OTVVZBCAGFQLOF-HXUWFJFHSA-N 1 3 343.515 2.822 20 0 EFADHO C[N@H+](CC1CC2(CCC2)C1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029894 1298032174 /nfs/dbraw/zinc/03/21/74/1298032174.db2.gz STSBYWSJYDUVPO-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](CC1CC2(CCC2)C1)C[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029894 1298032181 /nfs/dbraw/zinc/03/21/81/1298032181.db2.gz STSBYWSJYDUVPO-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029729 1298032595 /nfs/dbraw/zinc/03/25/95/1298032595.db2.gz SHFGWWMAQSIXAS-SFHVURJKSA-N 1 3 349.906 2.859 20 0 EFADHO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000961029729 1298032607 /nfs/dbraw/zinc/03/26/07/1298032607.db2.gz SHFGWWMAQSIXAS-SFHVURJKSA-N 1 3 349.906 2.859 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583770 1298034515 /nfs/dbraw/zinc/03/45/15/1298034515.db2.gz ZXIVSFAKJKQTBX-SJORKVTESA-N 1 3 339.499 2.676 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000961031782 1298035841 /nfs/dbraw/zinc/03/58/41/1298035841.db2.gz ZWZHPRBKLWKMGG-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000961031782 1298035849 /nfs/dbraw/zinc/03/58/49/1298035849.db2.gz ZWZHPRBKLWKMGG-HKUYNNGSSA-N 1 3 347.478 2.509 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1 ZINC000961033060 1298038610 /nfs/dbraw/zinc/03/86/10/1298038610.db2.gz YBWSXBROKXKYJF-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000961033060 1298038619 /nfs/dbraw/zinc/03/86/19/1298038619.db2.gz YBWSXBROKXKYJF-SFHVURJKSA-N 1 3 329.488 2.695 20 0 EFADHO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001236278850 1313464579 /nfs/dbraw/zinc/46/45/79/1313464579.db2.gz WSPFMDUFGOTEIR-SPOLIRPYSA-N 1 3 328.456 2.611 20 0 EFADHO CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909337 1313469830 /nfs/dbraw/zinc/46/98/30/1313469830.db2.gz ABDVGLWLLOUTGV-OALUTQOASA-N 1 3 329.488 2.837 20 0 EFADHO CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CN(C)C ZINC001049909337 1313469833 /nfs/dbraw/zinc/46/98/33/1313469833.db2.gz ABDVGLWLLOUTGV-OALUTQOASA-N 1 3 329.488 2.837 20 0 EFADHO Nc1cccc2c1CCN(Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001236365261 1313474347 /nfs/dbraw/zinc/47/43/47/1313474347.db2.gz GFFQOAMXTNKYRG-UHFFFAOYSA-N 1 3 332.451 2.885 20 0 EFADHO CC(C)(C)OC(=O)NCCN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236373838 1313474700 /nfs/dbraw/zinc/47/47/00/1313474700.db2.gz LWABPUGYGWXLHE-OAHLLOKOSA-N 1 3 325.497 2.755 20 0 EFADHO Nc1cnccc1CN(Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236383181 1313475561 /nfs/dbraw/zinc/47/55/61/1313475561.db2.gz SOEILLBAKOIVBI-UHFFFAOYSA-N 1 3 328.435 2.805 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2ccccc2-c2ccccc2C)CC[C@@H]1N ZINC001236415522 1313477521 /nfs/dbraw/zinc/47/75/21/1313477521.db2.gz OMVQJMJILSYXNW-PMACEKPBSA-N 1 3 338.451 2.984 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2-c2ccccc2C)CC[C@@H]1N ZINC001236415522 1313477524 /nfs/dbraw/zinc/47/75/24/1313477524.db2.gz OMVQJMJILSYXNW-PMACEKPBSA-N 1 3 338.451 2.984 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017694792 1313478693 /nfs/dbraw/zinc/47/86/93/1313478693.db2.gz BWWIEKWWFFSDPA-INDMIFKZSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017694792 1313478696 /nfs/dbraw/zinc/47/86/96/1313478696.db2.gz BWWIEKWWFFSDPA-INDMIFKZSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206583672 1313479146 /nfs/dbraw/zinc/47/91/46/1313479146.db2.gz ZOMJCNICEJIZLT-FPOVZHCZSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCN1CCN(C)CC1 ZINC001206583672 1313479148 /nfs/dbraw/zinc/47/91/48/1313479148.db2.gz ZOMJCNICEJIZLT-FPOVZHCZSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017695071 1313479242 /nfs/dbraw/zinc/47/92/42/1313479242.db2.gz DXHKBFNBUFEBTE-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017695071 1313479244 /nfs/dbraw/zinc/47/92/44/1313479244.db2.gz DXHKBFNBUFEBTE-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206583674 1313479407 /nfs/dbraw/zinc/47/94/07/1313479407.db2.gz ZOMJCNICEJIZLT-TZIWHRDSSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCN1CCN(C)CC1 ZINC001206583674 1313479409 /nfs/dbraw/zinc/47/94/09/1313479409.db2.gz ZOMJCNICEJIZLT-TZIWHRDSSA-N 1 3 345.531 2.551 20 0 EFADHO COc1cccc(O[C@H]2CCCN(Cc3cccc(C[NH3+])c3)C2)n1 ZINC001236535756 1313490156 /nfs/dbraw/zinc/49/01/56/1313490156.db2.gz KNIFWXBGJQFTOU-KRWDZBQOSA-N 1 3 327.428 2.592 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCF ZINC001049918807 1313484181 /nfs/dbraw/zinc/48/41/81/1313484181.db2.gz MQPGZLYGHISNAH-OALUTQOASA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049918807 1313484184 /nfs/dbraw/zinc/48/41/84/1313484184.db2.gz MQPGZLYGHISNAH-OALUTQOASA-N 1 3 347.478 2.787 20 0 EFADHO CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049918881 1313484949 /nfs/dbraw/zinc/48/49/49/1313484949.db2.gz NFSDICVFTFVMLZ-BZSNNMDCSA-N 1 3 339.499 2.676 20 0 EFADHO Nc1ccnc(Cl)c1CN(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553504 1313491678 /nfs/dbraw/zinc/49/16/78/1313491678.db2.gz PLFJUJXDKFPAMP-JOCQHMNTSA-N 1 3 338.883 2.568 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@H]3CC[N@H+](CC4CC4)C3)C2)C1 ZINC000961228176 1298368335 /nfs/dbraw/zinc/36/83/35/1298368335.db2.gz GESRIOJYNIJZRJ-OALUTQOASA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]([C@H]3CC[N@@H+](CC4CC4)C3)C2)C1 ZINC000961228176 1298368349 /nfs/dbraw/zinc/36/83/49/1298368349.db2.gz GESRIOJYNIJZRJ-OALUTQOASA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228173 1298368562 /nfs/dbraw/zinc/36/85/62/1298368562.db2.gz GBOZQUSIHITXML-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961228173 1298368573 /nfs/dbraw/zinc/36/85/73/1298368573.db2.gz GBOZQUSIHITXML-ROUUACIJSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000961229120 1298370918 /nfs/dbraw/zinc/37/09/18/1298370918.db2.gz HJUONYQRBQEFHE-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000961229120 1298370926 /nfs/dbraw/zinc/37/09/26/1298370926.db2.gz HJUONYQRBQEFHE-MSOLQXFVSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230779 1298373114 /nfs/dbraw/zinc/37/31/14/1298373114.db2.gz LLJCPKVCPNIWIR-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230779 1298373128 /nfs/dbraw/zinc/37/31/28/1298373128.db2.gz LLJCPKVCPNIWIR-OALUTQOASA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230034 1298374311 /nfs/dbraw/zinc/37/43/11/1298374311.db2.gz KFIQIHUSLZAWCA-IRXDYDNUSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000961230034 1298374325 /nfs/dbraw/zinc/37/43/25/1298374325.db2.gz KFIQIHUSLZAWCA-IRXDYDNUSA-N 1 3 346.519 2.949 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@H]3CC[N@H+](CC4CC4)C3)C2)CC1 ZINC000961262027 1298444551 /nfs/dbraw/zinc/44/45/51/1298444551.db2.gz OBXVGPPPPVCULV-UXHICEINSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H]([C@H]3CC[N@@H+](CC4CC4)C3)C2)CC1 ZINC000961262027 1298444557 /nfs/dbraw/zinc/44/45/57/1298444557.db2.gz OBXVGPPPPVCULV-UXHICEINSA-N 1 3 347.547 2.689 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211283195 1314468740 /nfs/dbraw/zinc/46/87/40/1314468740.db2.gz FCMZSGWMKQCEDT-PKOBYXMFSA-N 1 3 331.504 2.977 20 0 EFADHO COc1ccccc1CN(Cc1ccncc1N)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236709467 1313515626 /nfs/dbraw/zinc/51/56/26/1313515626.db2.gz GLYBLZSVSVNAPV-IYARVYRRSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCN(C)C1 ZINC001276496959 1313520239 /nfs/dbraw/zinc/52/02/39/1313520239.db2.gz OBRNXPNMHFAXFI-CSNJMZFVSA-N 1 3 348.560 2.878 20 0 EFADHO Cc1ncsc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001276496959 1313520241 /nfs/dbraw/zinc/52/02/41/1313520241.db2.gz OBRNXPNMHFAXFI-CSNJMZFVSA-N 1 3 348.560 2.878 20 0 EFADHO CCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903980120 1313529639 /nfs/dbraw/zinc/52/96/39/1313529639.db2.gz IIBCLDBJVFLXHN-BGYRXZFFSA-N 1 3 343.515 2.876 20 0 EFADHO CCCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903980120 1313529643 /nfs/dbraw/zinc/52/96/43/1313529643.db2.gz IIBCLDBJVFLXHN-BGYRXZFFSA-N 1 3 343.515 2.876 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961372401 1298635770 /nfs/dbraw/zinc/63/57/70/1298635770.db2.gz CJWQSHJUGZYRAL-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961372401 1298635779 /nfs/dbraw/zinc/63/57/79/1298635779.db2.gz CJWQSHJUGZYRAL-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373419 1298637994 /nfs/dbraw/zinc/63/79/94/1298637994.db2.gz HCICHEMMPWPVRT-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CC1 ZINC000961373419 1298638012 /nfs/dbraw/zinc/63/80/12/1298638012.db2.gz HCICHEMMPWPVRT-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)C1CCC1 ZINC000961374943 1298640876 /nfs/dbraw/zinc/64/08/76/1298640876.db2.gz MEWOHJBHXSIOBQ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)C1CCC1 ZINC000961374943 1298640884 /nfs/dbraw/zinc/64/08/84/1298640884.db2.gz MEWOHJBHXSIOBQ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376289 1298644931 /nfs/dbraw/zinc/64/49/31/1298644931.db2.gz RLKFFMKLXBYXBW-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376289 1298644948 /nfs/dbraw/zinc/64/49/48/1298644948.db2.gz RLKFFMKLXBYXBW-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961377389 1298647470 /nfs/dbraw/zinc/64/74/70/1298647470.db2.gz HDTNGKLPLDQBGO-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961377389 1298647480 /nfs/dbraw/zinc/64/74/80/1298647480.db2.gz HDTNGKLPLDQBGO-RBUKOAKNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CCCF)C2)CC1)N(C)C ZINC000961379934 1298654365 /nfs/dbraw/zinc/65/43/65/1298654365.db2.gz XHGHTJSJNZHRBY-QZTJIDSGSA-N 1 3 341.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CCCF)C2)CC1)N(C)C ZINC000961379934 1298654369 /nfs/dbraw/zinc/65/43/69/1298654369.db2.gz XHGHTJSJNZHRBY-QZTJIDSGSA-N 1 3 341.515 2.637 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961399724 1298688568 /nfs/dbraw/zinc/68/85/68/1298688568.db2.gz CJWQSHJUGZYRAL-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961399724 1298688575 /nfs/dbraw/zinc/68/85/75/1298688575.db2.gz CJWQSHJUGZYRAL-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@H+](CC4CC4)C3)CC2)C1 ZINC000961410791 1298704985 /nfs/dbraw/zinc/70/49/85/1298704985.db2.gz IVENEPAUTIMEEI-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CCC[N@@H+](CC4CC4)C3)CC2)C1 ZINC000961410791 1298704988 /nfs/dbraw/zinc/70/49/88/1298704988.db2.gz IVENEPAUTIMEEI-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961411414 1298706905 /nfs/dbraw/zinc/70/69/05/1298706905.db2.gz NFRJBTWHZCTLBL-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961411414 1298706913 /nfs/dbraw/zinc/70/69/13/1298706913.db2.gz NFRJBTWHZCTLBL-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961411411 1298707076 /nfs/dbraw/zinc/70/70/76/1298707076.db2.gz NFRJBTWHZCTLBL-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCC[C@@H]3C)CC2)C1 ZINC000961411411 1298707083 /nfs/dbraw/zinc/70/70/83/1298707083.db2.gz NFRJBTWHZCTLBL-HKUYNNGSSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961413336 1298709748 /nfs/dbraw/zinc/70/97/48/1298709748.db2.gz YWWUBUOPDWRPCE-UYAOXDASSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)C1 ZINC000961413336 1298709756 /nfs/dbraw/zinc/70/97/56/1298709756.db2.gz YWWUBUOPDWRPCE-UYAOXDASSA-N 1 3 349.563 2.935 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961417210 1298717739 /nfs/dbraw/zinc/71/77/39/1298717739.db2.gz XQZCFHSFJGBMCH-SFHVURJKSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961417210 1298717748 /nfs/dbraw/zinc/71/77/48/1298717748.db2.gz XQZCFHSFJGBMCH-SFHVURJKSA-N 1 3 344.503 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001206890221 1313540847 /nfs/dbraw/zinc/54/08/47/1313540847.db2.gz HCQHTPBBYAUHGP-CEXWTWQISA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001490300800 1298721307 /nfs/dbraw/zinc/72/13/07/1298721307.db2.gz MOEWEKNVCVVJEQ-SJLPKXTDSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001490300800 1298721314 /nfs/dbraw/zinc/72/13/14/1298721314.db2.gz MOEWEKNVCVVJEQ-SJLPKXTDSA-N 1 3 341.515 2.970 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccn1 ZINC001490309409 1298751643 /nfs/dbraw/zinc/75/16/43/1298751643.db2.gz JGWDBGVTPLMPSL-PKOBYXMFSA-N 1 3 346.519 2.673 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccn1 ZINC001490309409 1298751647 /nfs/dbraw/zinc/75/16/47/1298751647.db2.gz JGWDBGVTPLMPSL-PKOBYXMFSA-N 1 3 346.519 2.673 20 0 EFADHO C[C@@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609518 1313545049 /nfs/dbraw/zinc/54/50/49/1313545049.db2.gz QLNDHFKXPYEVGB-JZGRTCEGSA-N 1 3 347.478 2.831 20 0 EFADHO C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CN(C)C)C2 ZINC001096609518 1313545051 /nfs/dbraw/zinc/54/50/51/1313545051.db2.gz QLNDHFKXPYEVGB-JZGRTCEGSA-N 1 3 347.478 2.831 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)N1CCCC1 ZINC000961468075 1298772119 /nfs/dbraw/zinc/77/21/19/1298772119.db2.gz VPAUYXRAPQWSQQ-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)N1CCCC1 ZINC000961468075 1298772123 /nfs/dbraw/zinc/77/21/23/1298772123.db2.gz VPAUYXRAPQWSQQ-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1F ZINC001276308323 1298844552 /nfs/dbraw/zinc/84/45/52/1298844552.db2.gz IKBFVUVSOJXVIO-UHFFFAOYSA-N 1 3 342.462 2.929 20 0 EFADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCC2=CCCCC2)CC1 ZINC001206929210 1313557541 /nfs/dbraw/zinc/55/75/41/1313557541.db2.gz ZHOSDIISCNOLEE-UHFFFAOYSA-N 1 3 333.520 2.801 20 0 EFADHO CCc1ccc(C[NH2+]CC2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001206954665 1313570370 /nfs/dbraw/zinc/57/03/70/1313570370.db2.gz RPGOAKNPKTXXRW-UHFFFAOYSA-N 1 3 345.531 2.917 20 0 EFADHO CC1CC(C[NH+]2CCC3(C[C@H]3NC(=O)CN(C)CC(C)(C)C)CC2)C1 ZINC001490597879 1299019989 /nfs/dbraw/zinc/01/99/89/1299019989.db2.gz APZRKDIAOWMVCO-DAWZGUTISA-N 1 3 349.563 2.981 20 0 EFADHO CCn1ccnc1CN1CCC[C@]2(CCCN(CCC[NH+](C)C)C2)C1 ZINC001278048734 1313582366 /nfs/dbraw/zinc/58/23/66/1313582366.db2.gz BIVGBXULQBOXEY-FQEVSTJZSA-N 1 3 347.551 2.533 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@H]2CN(CCC[NH+](C)C)C[C@@H](C1)O2 ZINC001278049909 1313583888 /nfs/dbraw/zinc/58/38/88/1313583888.db2.gz VOVLZDGOWFUMLD-QRVBRYPASA-N 1 3 325.541 2.540 20 0 EFADHO O=c1[nH]cccc1C[NH+]1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC001207003115 1313586858 /nfs/dbraw/zinc/58/68/58/1313586858.db2.gz MCDJRLALCRSBIA-UHFFFAOYSA-N 1 3 327.428 2.868 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC000961771078 1299104632 /nfs/dbraw/zinc/10/46/32/1299104632.db2.gz JLTILDBQKMPOBT-XFIJJGBISA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CCCCCC3)C[C@H]21 ZINC000961771078 1299104638 /nfs/dbraw/zinc/10/46/38/1299104638.db2.gz JLTILDBQKMPOBT-XFIJJGBISA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+]1CCC(CC(=O)NC[C@@H](NCc2ccccc2F)C2CC2)CC1 ZINC001490718251 1299127723 /nfs/dbraw/zinc/12/77/23/1299127723.db2.gz QKRUFTCZENKWFH-LJQANCHMSA-N 1 3 347.478 2.542 20 0 EFADHO CN1CCN(c2cccc(CN(C3CCC3)[C@H]3CCC[NH2+]C3)c2)CC1 ZINC001237154485 1313593771 /nfs/dbraw/zinc/59/37/71/1313593771.db2.gz CRXMEEJEWYRTQH-NRFANRHFSA-N 1 3 342.531 2.545 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)C/C=C\Cl)C2)CC1 ZINC001490773476 1299228858 /nfs/dbraw/zinc/22/88/58/1299228858.db2.gz GSEHJEVSMBKEHU-LYLYKKCESA-N 1 3 341.927 2.641 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001490773476 1299228869 /nfs/dbraw/zinc/22/88/69/1299228869.db2.gz GSEHJEVSMBKEHU-LYLYKKCESA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC1CCC(C)CC1)C2 ZINC001017941657 1313604283 /nfs/dbraw/zinc/60/42/83/1313604283.db2.gz HWZCMSLZVLBWAI-TUEWSUPBSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](CC1CCC(C)CC1)C2 ZINC001017941657 1313604286 /nfs/dbraw/zinc/60/42/86/1313604286.db2.gz HWZCMSLZVLBWAI-TUEWSUPBSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961952111 1299267790 /nfs/dbraw/zinc/26/77/90/1299267790.db2.gz BDRZODHOPPGZHZ-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21)N1CCCCCC1 ZINC000961952111 1299267802 /nfs/dbraw/zinc/26/78/02/1299267802.db2.gz BDRZODHOPPGZHZ-IJXRJRJASA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000851809548 1299410502 /nfs/dbraw/zinc/41/05/02/1299410502.db2.gz RRQLZLINSDKBGA-SQNIBIBYSA-N 1 3 338.492 2.649 20 0 EFADHO CC(C)N(C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000851809548 1299410508 /nfs/dbraw/zinc/41/05/08/1299410508.db2.gz RRQLZLINSDKBGA-SQNIBIBYSA-N 1 3 338.492 2.649 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)c1ccccn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000851913364 1299464696 /nfs/dbraw/zinc/46/46/96/1299464696.db2.gz WFJLKNDJLMJZAC-HQRMLTQVSA-N 1 3 325.456 2.615 20 0 EFADHO c1cc2n(c1CN1CCC3(CCNc4ccccc43)CC1)CC[NH2+]C2 ZINC001237324176 1313626589 /nfs/dbraw/zinc/62/65/89/1313626589.db2.gz YHBZYZNRZWELSE-UHFFFAOYSA-N 1 3 336.483 2.941 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000962306004 1299566399 /nfs/dbraw/zinc/56/63/99/1299566399.db2.gz NRCURSJYEKSBSJ-QHGAOEGBSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC000962306577 1299567601 /nfs/dbraw/zinc/56/76/01/1299567601.db2.gz OZMROAHRSIIAKU-BELGNNRLSA-N 1 3 349.544 2.834 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000962307486 1299568840 /nfs/dbraw/zinc/56/88/40/1299568840.db2.gz TXWGMMQRUAVGGT-UHFFFAOYSA-N 1 3 347.478 2.542 20 0 EFADHO CCc1cccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000962309223 1299572160 /nfs/dbraw/zinc/57/21/60/1299572160.db2.gz LXBFANLCEXILQQ-DZIBYMRMSA-N 1 3 343.515 2.575 20 0 EFADHO CCOC(=O)[C@@H]1CN(Cc2ccc(C)cc2Cl)CCC12C[NH2+]C2 ZINC001237428823 1313642793 /nfs/dbraw/zinc/64/27/93/1313642793.db2.gz DDSGBLPGDGSUEJ-HNNXBMFYSA-N 1 3 336.863 2.623 20 0 EFADHO CCOC(=O)[C@H]1CN(Cc2cc(C)cc(Cl)c2)CCC12C[NH2+]C2 ZINC001237432189 1313642834 /nfs/dbraw/zinc/64/28/34/1313642834.db2.gz UMFQJBRTVAVXMW-MRXNPFEDSA-N 1 3 336.863 2.623 20 0 EFADHO C[C@H](C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2)[NH+]1CCCCCC1 ZINC001018025098 1313646598 /nfs/dbraw/zinc/64/65/98/1313646598.db2.gz FLYWGYIXNGWTCE-TUEWSUPBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018025615 1313646748 /nfs/dbraw/zinc/64/67/48/1313646748.db2.gz HAQNKPAOBBJGAO-QRVBRYPASA-N 1 3 335.536 2.972 20 0 EFADHO F[C@H]1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1N1CCCCC1 ZINC001237454158 1313647649 /nfs/dbraw/zinc/64/76/49/1313647649.db2.gz ISOYNNQEEDSCGV-UFYCRDLUSA-N 1 3 331.479 2.599 20 0 EFADHO F[C@H]1CN(Cc2ccc3c(c2)CC[NH2+]C3)CC[C@H]1N1CCCCC1 ZINC001237457752 1313648075 /nfs/dbraw/zinc/64/80/75/1313648075.db2.gz ZJTBCHFVZMVDLZ-VQTJNVASSA-N 1 3 331.479 2.731 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018027586 1313648411 /nfs/dbraw/zinc/64/84/11/1313648411.db2.gz XCLRELAMGBDYDY-MKXGPGLRSA-N 1 3 335.536 2.972 20 0 EFADHO C[NH+](C)CC(C)(C)CN1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001207280739 1313651145 /nfs/dbraw/zinc/65/11/45/1313651145.db2.gz UMCPDCZDHNEFDW-HXUWFJFHSA-N 1 3 347.478 2.842 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001207279735 1313651210 /nfs/dbraw/zinc/65/12/10/1313651210.db2.gz ITLKXMGFQOLOHB-QZTJIDSGSA-N 1 3 329.488 2.844 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001207279735 1313651213 /nfs/dbraw/zinc/65/12/13/1313651213.db2.gz ITLKXMGFQOLOHB-QZTJIDSGSA-N 1 3 329.488 2.844 20 0 EFADHO CN(C)CC(C)(C)C[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207280101 1313651279 /nfs/dbraw/zinc/65/12/79/1313651279.db2.gz SIHMKDSIPGVGTQ-OAHLLOKOSA-N 1 3 327.513 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001207280101 1313651281 /nfs/dbraw/zinc/65/12/81/1313651281.db2.gz SIHMKDSIPGVGTQ-OAHLLOKOSA-N 1 3 327.513 2.906 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001018025669 1313647078 /nfs/dbraw/zinc/64/70/78/1313647078.db2.gz JHXVNBNDAYTIDO-ZCFHBRKKSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001018025669 1313647080 /nfs/dbraw/zinc/64/70/80/1313647080.db2.gz JHXVNBNDAYTIDO-ZCFHBRKKSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001018025668 1313647096 /nfs/dbraw/zinc/64/70/96/1313647096.db2.gz JHXVNBNDAYTIDO-VWAQSERHSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1CN(CC1CC(C)C1)C2 ZINC001018025668 1313647100 /nfs/dbraw/zinc/64/71/00/1313647100.db2.gz JHXVNBNDAYTIDO-VWAQSERHSA-N 1 3 347.547 2.971 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001207283363 1313652336 /nfs/dbraw/zinc/65/23/36/1313652336.db2.gz XHRRBWGOXVMBMF-UHFFFAOYSA-N 1 3 330.476 2.701 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001207284914 1313652684 /nfs/dbraw/zinc/65/26/84/1313652684.db2.gz UKAYVCIVCYFGMB-UHFFFAOYSA-N 1 3 335.467 2.608 20 0 EFADHO CN(C)CC(C)(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207287307 1313653337 /nfs/dbraw/zinc/65/33/37/1313653337.db2.gz BDMWKZFNVAEXPT-HNNXBMFYSA-N 1 3 327.513 2.906 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207287307 1313653340 /nfs/dbraw/zinc/65/33/40/1313653340.db2.gz BDMWKZFNVAEXPT-HNNXBMFYSA-N 1 3 327.513 2.906 20 0 EFADHO CN1CC[C@@]2(CC[N@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317701 1313658318 /nfs/dbraw/zinc/65/83/18/1313658318.db2.gz HAHDBDKZONVUGQ-VQIMIIECSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CC[C@@]2(CC[N@@H+](C[C@H]3CCCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001207317701 1313658322 /nfs/dbraw/zinc/65/83/22/1313658322.db2.gz HAHDBDKZONVUGQ-VQIMIIECSA-N 1 3 337.508 2.804 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC000962807384 1300084126 /nfs/dbraw/zinc/08/41/26/1300084126.db2.gz FFETWYNWMLTTQP-ACBHZAAOSA-N 1 3 335.536 2.926 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC000962808726 1300087042 /nfs/dbraw/zinc/08/70/42/1300087042.db2.gz OIPBINGUHCKPGF-KVZIAJEVSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1nn(C)c2nc(Cl)c(CNCC3(C)CC[NH+](C)CC3)cc12 ZINC000779986235 1300142449 /nfs/dbraw/zinc/14/24/49/1300142449.db2.gz MQPWHEZJCGYTBI-UHFFFAOYSA-N 1 3 335.883 2.752 20 0 EFADHO CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC1CC[NH+](C)CC1 ZINC001207398330 1313675151 /nfs/dbraw/zinc/67/51/51/1313675151.db2.gz IIJLZZBHTIDTOH-MRXNPFEDSA-N 1 3 325.497 2.660 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](C)CC2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001207401703 1313676163 /nfs/dbraw/zinc/67/61/63/1313676163.db2.gz RQKUISRQHCFZFW-GJZGRUSLSA-N 1 3 325.497 2.658 20 0 EFADHO CC(C)CN1CCC([NH+]2CCC(C(=O)N3CCCC34CC4)CC2)CC1 ZINC001278121413 1313676481 /nfs/dbraw/zinc/67/64/81/1313676481.db2.gz ZSAMGKRBPWXKSD-UHFFFAOYSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CC1CC[NH+](C)CC1 ZINC001207395093 1313674320 /nfs/dbraw/zinc/67/43/20/1313674320.db2.gz OVGXURDSFIHKJD-GASCZTMLSA-N 1 3 325.497 2.658 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3nsc4ccccc43)CC2)CC1 ZINC001207395016 1313674382 /nfs/dbraw/zinc/67/43/82/1313674382.db2.gz OBFNNPKVQFXJNM-UHFFFAOYSA-N 1 3 330.501 2.760 20 0 EFADHO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CC1CC[NH+](C)CC1 ZINC001207394711 1313674524 /nfs/dbraw/zinc/67/45/24/1313674524.db2.gz LJEKPWKFBRLDQY-CABCVRRESA-N 1 3 325.497 2.658 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC001207398257 1313674798 /nfs/dbraw/zinc/67/47/98/1313674798.db2.gz CWKLJEGMCUQPLD-UHFFFAOYSA-N 1 3 330.501 2.760 20 0 EFADHO C[NH+]1CCC(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC001207398258 1313675020 /nfs/dbraw/zinc/67/50/20/1313675020.db2.gz CZSMGQVWCWZEEH-UHFFFAOYSA-N 1 3 342.409 2.564 20 0 EFADHO C[NH+]1CCC(CN2CCN(CCc3cccc(Cl)c3)CC2)CC1 ZINC001207425198 1313680556 /nfs/dbraw/zinc/68/05/56/1313680556.db2.gz FLGJMQXIZAGONX-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963157085 1300377048 /nfs/dbraw/zinc/37/70/48/1300377048.db2.gz MLKWYTRQAIKZFR-ACBHZAAOSA-N 1 3 333.520 2.940 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]CCc2cccs2)CC1 ZINC000963157625 1300378358 /nfs/dbraw/zinc/37/83/58/1300378358.db2.gz PMFFGYCEAAMBQV-HTWSVDAQSA-N 1 3 349.544 2.744 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC000963158375 1300378655 /nfs/dbraw/zinc/37/86/55/1300378655.db2.gz XDUKJKLRPHHXBR-ACBHZAAOSA-N 1 3 329.488 2.640 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC000963158423 1300379591 /nfs/dbraw/zinc/37/95/91/1300379591.db2.gz XWHDSVSGYSBLLL-OFLPRAFFSA-N 1 3 335.517 2.702 20 0 EFADHO C[NH+]1CCC(CN2CCN(CCCc3ccccc3F)CC2)CC1 ZINC001207496642 1313700376 /nfs/dbraw/zinc/70/03/76/1313700376.db2.gz PWFYVGZEGFSIRF-UHFFFAOYSA-N 1 3 333.495 2.718 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314380 1300575431 /nfs/dbraw/zinc/57/54/31/1300575431.db2.gz KLMXPSJYYCAWRO-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314380 1300575439 /nfs/dbraw/zinc/57/54/39/1300575439.db2.gz KLMXPSJYYCAWRO-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314699 1300578881 /nfs/dbraw/zinc/57/88/81/1300578881.db2.gz OKFRXOSGXXAYHD-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCC2CC2)C1)C1CCC1 ZINC000963314699 1300578891 /nfs/dbraw/zinc/57/88/91/1300578891.db2.gz OKFRXOSGXXAYHD-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314909 1300579085 /nfs/dbraw/zinc/57/90/85/1300579085.db2.gz PXIRTIZICZGCFJ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CCC2)C1)C1CCC1 ZINC000963314909 1300579090 /nfs/dbraw/zinc/57/90/90/1300579090.db2.gz PXIRTIZICZGCFJ-QUCCMNQESA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCCF)C1)C1CCC1 ZINC000963315230 1300580063 /nfs/dbraw/zinc/58/00/63/1300580063.db2.gz RTGHHQRZSQDWHX-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCCF)C1)C1CCC1 ZINC000963315230 1300580074 /nfs/dbraw/zinc/58/00/74/1300580074.db2.gz RTGHHQRZSQDWHX-WMZOPIPTSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315437 1300580469 /nfs/dbraw/zinc/58/04/69/1300580469.db2.gz SQJVQJADRNRPPG-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963315437 1300580479 /nfs/dbraw/zinc/58/04/79/1300580479.db2.gz SQJVQJADRNRPPG-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365716 1300698877 /nfs/dbraw/zinc/69/88/77/1300698877.db2.gz HFIQVBHGROTBNJ-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC000963365716 1300698884 /nfs/dbraw/zinc/69/88/84/1300698884.db2.gz HFIQVBHGROTBNJ-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC3CC3)C2)CC1 ZINC000963384985 1300743677 /nfs/dbraw/zinc/74/36/77/1300743677.db2.gz YUHMIHRMIPKURC-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]([C@H]3CCC[N@H+]3CC3CC3)C2)CC1 ZINC000963384985 1300743685 /nfs/dbraw/zinc/74/36/85/1300743685.db2.gz YUHMIHRMIPKURC-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885148 1300805223 /nfs/dbraw/zinc/80/52/23/1300805223.db2.gz ONMISJBCCHSIGZ-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000245885148 1300805240 /nfs/dbraw/zinc/80/52/40/1300805240.db2.gz ONMISJBCCHSIGZ-OWCLPIDISA-N 1 3 325.497 2.706 20 0 EFADHO COCCCN1CCN(Cc2ccc3c(c2)C(C(C)C)=[NH+]CC3)CC1 ZINC001237887602 1313726826 /nfs/dbraw/zinc/72/68/26/1313726826.db2.gz VJDYUEOGHWIXMR-UHFFFAOYSA-N 1 3 343.515 2.842 20 0 EFADHO CCN1CCN(c2ccc(N[C@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000776804239 1300910326 /nfs/dbraw/zinc/91/03/26/1300910326.db2.gz DUHYTZFCWVPNFJ-PXNSSMCTSA-N 1 3 330.520 2.971 20 0 EFADHO CCN1CCN(c2ccc(N[C@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000776804239 1300910336 /nfs/dbraw/zinc/91/03/36/1300910336.db2.gz DUHYTZFCWVPNFJ-PXNSSMCTSA-N 1 3 330.520 2.971 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOCc1ccccc1 ZINC001278173293 1313741283 /nfs/dbraw/zinc/74/12/83/1313741283.db2.gz NBZOWMPHHSSIGJ-SEJPIABJSA-N 1 3 345.531 2.740 20 0 EFADHO CN(C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCc1ccccc1 ZINC001278173293 1313741285 /nfs/dbraw/zinc/74/12/85/1313741285.db2.gz NBZOWMPHHSSIGJ-SEJPIABJSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)CCN1CCC([NH+]2CCC(C(=O)N3CC=CC3)CC2)CC1 ZINC001278181536 1313752202 /nfs/dbraw/zinc/75/22/02/1313752202.db2.gz MLWNBOHAKBSRQK-UHFFFAOYSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCC1)N1CCCCC1 ZINC001037009607 1301287691 /nfs/dbraw/zinc/28/76/91/1301287691.db2.gz NNKRHYSLHMEXRE-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCC1)N1CCCCC1 ZINC001037009610 1301287849 /nfs/dbraw/zinc/28/78/49/1301287849.db2.gz NNKRHYSLHMEXRE-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1C ZINC001207750293 1313764310 /nfs/dbraw/zinc/76/43/10/1313764310.db2.gz OTMKKFFOJLUBIV-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1C ZINC001207750293 1313764313 /nfs/dbraw/zinc/76/43/13/1313764313.db2.gz OTMKKFFOJLUBIV-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207750293 1313764317 /nfs/dbraw/zinc/76/43/17/1313764317.db2.gz OTMKKFFOJLUBIV-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1C ZINC001207750293 1313764319 /nfs/dbraw/zinc/76/43/19/1313764319.db2.gz OTMKKFFOJLUBIV-SJLPKXTDSA-N 1 3 331.504 2.662 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001207750181 1313764667 /nfs/dbraw/zinc/76/46/67/1313764667.db2.gz MEFOQTNJPMTFTB-JFIYKMOQSA-N 1 3 331.504 2.914 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001207750181 1313764669 /nfs/dbraw/zinc/76/46/69/1313764669.db2.gz MEFOQTNJPMTFTB-JFIYKMOQSA-N 1 3 331.504 2.914 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207757539 1313765852 /nfs/dbraw/zinc/76/58/52/1313765852.db2.gz FWKZFXWJHRGFFV-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@H]1C ZINC001207757539 1313765855 /nfs/dbraw/zinc/76/58/55/1313765855.db2.gz FWKZFXWJHRGFFV-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207758192 1313766892 /nfs/dbraw/zinc/76/68/92/1313766892.db2.gz WPZIEEDOCGDKHN-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1ccccc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)N(C)CC)C1 ZINC001207758192 1313766894 /nfs/dbraw/zinc/76/68/94/1313766894.db2.gz WPZIEEDOCGDKHN-VQIMIIECSA-N 1 3 345.531 2.916 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000963955012 1301514722 /nfs/dbraw/zinc/51/47/22/1301514722.db2.gz ICAIMRGBUPDGMJ-UHFFFAOYSA-N 1 3 344.434 2.651 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001207794723 1313776028 /nfs/dbraw/zinc/77/60/28/1313776028.db2.gz KUPXNGWIGAQRGT-IBGZPJMESA-N 1 3 344.499 2.778 20 0 EFADHO Cc1cccc(CN2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1F ZINC001276309178 1301719889 /nfs/dbraw/zinc/71/98/89/1301719889.db2.gz USFVLGGZYCHQJW-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO Cc1cccc(CN2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1F ZINC001276309178 1301719897 /nfs/dbraw/zinc/71/98/97/1301719897.db2.gz USFVLGGZYCHQJW-UHFFFAOYSA-N 1 3 333.495 2.984 20 0 EFADHO CN(Cc1ccncc1)C1CC2(C1)CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207853507 1313789213 /nfs/dbraw/zinc/78/92/13/1313789213.db2.gz QHWIZZZOAXSZKA-LJQANCHMSA-N 1 3 329.488 2.937 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001018303020 1313801917 /nfs/dbraw/zinc/80/19/17/1313801917.db2.gz UZHOOYAOLIHCBT-AMBYYYRHSA-N 1 3 335.536 2.971 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1[C@H](C)CC[C@@H]1C ZINC001018303020 1313801921 /nfs/dbraw/zinc/80/19/21/1313801921.db2.gz UZHOOYAOLIHCBT-AMBYYYRHSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018306816 1313803723 /nfs/dbraw/zinc/80/37/23/1313803723.db2.gz RVHWZDHUYZGQOH-HDICACEKSA-N 1 3 329.488 2.693 20 0 EFADHO CCCCN1CCC([NH+]2CCC(C(=O)N3CCCCO3)CC2)CC1 ZINC001278225171 1313808511 /nfs/dbraw/zinc/80/85/11/1313808511.db2.gz QKDOCOJVFDQTIP-UHFFFAOYSA-N 1 3 337.508 2.517 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1)N1CCCC1 ZINC001037057263 1302077102 /nfs/dbraw/zinc/07/71/02/1302077102.db2.gz SHTGXNSZYALKDI-MSOLQXFVSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(C2CC2)c1 ZINC001238499962 1313832070 /nfs/dbraw/zinc/83/20/70/1313832070.db2.gz ANZVYRRAIFYSNQ-VQTJNVASSA-N 1 3 331.479 2.913 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c(C2CC2)c1 ZINC001238499962 1313832074 /nfs/dbraw/zinc/83/20/74/1313832074.db2.gz ANZVYRRAIFYSNQ-VQTJNVASSA-N 1 3 331.479 2.913 20 0 EFADHO CN(CC1CN(CC2(C)CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC001208107049 1313848140 /nfs/dbraw/zinc/84/81/40/1313848140.db2.gz IWWKCNUDMDFZFD-UHFFFAOYSA-N 1 3 325.497 2.517 20 0 EFADHO CC(C)OCc1ncn2c1CN(CC1(C)CC[NH+](C)CC1)CCC2 ZINC001208106266 1313848295 /nfs/dbraw/zinc/84/82/95/1313848295.db2.gz HXNYGIVAVQONPN-UHFFFAOYSA-N 1 3 334.508 2.746 20 0 EFADHO CCOC[C@@H]1CN(CC2(C)CC[NH+](C)CC2)Cc2cn(CC)nc21 ZINC001208107996 1313849229 /nfs/dbraw/zinc/84/92/29/1313849229.db2.gz ZCHQSDGITHLWGC-KRWDZBQOSA-N 1 3 334.508 2.571 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCN(CC[C@H](C)SC)CC2)C1 ZINC001208142249 1313855644 /nfs/dbraw/zinc/85/56/44/1313855644.db2.gz NYAHLVKZWFAPMQ-JKSUJKDBSA-N 1 3 342.549 2.868 20 0 EFADHO CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(CC[C@H](C)SC)CC2)C1 ZINC001208142249 1313855648 /nfs/dbraw/zinc/85/56/48/1313855648.db2.gz NYAHLVKZWFAPMQ-JKSUJKDBSA-N 1 3 342.549 2.868 20 0 EFADHO C[C@@H]1C[N@H+](CC2(CN(C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208186980 1313864398 /nfs/dbraw/zinc/86/43/98/1313864398.db2.gz DQGPFGXINORRMP-CVEARBPZSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1C[N@@H+](CC2(CN(C)C)CCCC2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001208186980 1313864400 /nfs/dbraw/zinc/86/44/00/1313864400.db2.gz DQGPFGXINORRMP-CVEARBPZSA-N 1 3 339.524 2.953 20 0 EFADHO CC[N@@H+]1CC[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000246849139 1302734222 /nfs/dbraw/zinc/73/42/22/1302734222.db2.gz BIFBFBPSJRCMGI-HOCLYGCPSA-N 1 3 325.497 2.706 20 0 EFADHO CC[N@H+]1CC[C@H](NCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H](C)C1 ZINC000246849139 1302734232 /nfs/dbraw/zinc/73/42/32/1302734232.db2.gz BIFBFBPSJRCMGI-HOCLYGCPSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCCC2)C3)C1 ZINC000965062072 1302784317 /nfs/dbraw/zinc/78/43/17/1302784317.db2.gz GVEZGDAYOOIDDA-YUCHZMFVSA-N 1 3 333.520 2.535 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccsc1)C2 ZINC000965063131 1302784940 /nfs/dbraw/zinc/78/49/40/1302784940.db2.gz KAJSPSFEGAWEEO-SZVPOOPASA-N 1 3 347.528 2.749 20 0 EFADHO C[C@H](Cc1ccc2c(c1)OCO2)CN1CCN(c2cc[nH+]cc2)CC1 ZINC001208212486 1313870911 /nfs/dbraw/zinc/87/09/11/1313870911.db2.gz JCJFYWXQPXVRNL-MRXNPFEDSA-N 1 3 339.439 2.811 20 0 EFADHO CC(C)[C@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@H](O)c1ccccc1 ZINC000794615083 1302855731 /nfs/dbraw/zinc/85/57/31/1302855731.db2.gz UTGBWWWLEKAURU-LEWJYISDSA-N 1 3 347.547 2.750 20 0 EFADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)[C@@H](O)c1ccccc1 ZINC000794615085 1302856224 /nfs/dbraw/zinc/85/62/24/1302856224.db2.gz UTGBWWWLEKAURU-RTWAWAEBSA-N 1 3 347.547 2.750 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000120173448 1303024069 /nfs/dbraw/zinc/02/40/69/1303024069.db2.gz CIVJKYQCGOMISM-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000120173448 1303024071 /nfs/dbraw/zinc/02/40/71/1303024071.db2.gz CIVJKYQCGOMISM-AEFFLSMTSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)[NH+]1CCC(NC[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865404629 1303240761 /nfs/dbraw/zinc/24/07/61/1303240761.db2.gz ONVOPGAMZYVBKG-AWEZNQCLSA-N 1 3 349.466 2.997 20 0 EFADHO CN1CC[NH+](CCCCNCc2c(Cl)cncc2Cl)CC1 ZINC000865411928 1303242240 /nfs/dbraw/zinc/24/22/40/1303242240.db2.gz GHGFNRJVJFLULX-UHFFFAOYSA-N 1 3 331.291 2.506 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccsc2)C1)C1CC1 ZINC001208334069 1313902445 /nfs/dbraw/zinc/90/24/45/1313902445.db2.gz DZMIBFRSHINANR-ZWKOTPCHSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2ccc(OC(F)F)cc2F)CC1 ZINC000865492121 1303283258 /nfs/dbraw/zinc/28/32/58/1303283258.db2.gz NCWIDWQWSACYMC-UHFFFAOYSA-N 1 3 346.393 2.752 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1)C1CC1 ZINC001208335708 1313903045 /nfs/dbraw/zinc/90/30/45/1313903045.db2.gz ZCZSRHSSPSJQTC-HUUCEWRRSA-N 1 3 349.441 2.640 20 0 EFADHO CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097219117 1313914876 /nfs/dbraw/zinc/91/48/76/1313914876.db2.gz TYRPGYZEVBDQOA-YRXWBPOGSA-N 1 3 333.520 2.915 20 0 EFADHO CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)C2 ZINC001097219117 1313914878 /nfs/dbraw/zinc/91/48/78/1313914878.db2.gz TYRPGYZEVBDQOA-YRXWBPOGSA-N 1 3 333.520 2.915 20 0 EFADHO CC(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097218952 1313914184 /nfs/dbraw/zinc/91/41/84/1313914184.db2.gz NMJNPYSUJQELQK-AKHDSKFASA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)C2 ZINC001097218952 1313914186 /nfs/dbraw/zinc/91/41/86/1313914186.db2.gz NMJNPYSUJQELQK-AKHDSKFASA-N 1 3 333.520 2.771 20 0 EFADHO NCCC[NH2+]CCCNC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001239252321 1313919483 /nfs/dbraw/zinc/91/94/83/1313919483.db2.gz CUMXRYIYEQIBOF-UHFFFAOYSA-N 1 3 342.443 2.929 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1)N(C)C ZINC001208413740 1313923363 /nfs/dbraw/zinc/92/33/63/1313923363.db2.gz AJUYXQIOQBXCJT-ZIAGYGMSSA-N 1 3 337.430 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCc2ccsc2)C1)N(C)C ZINC001208413977 1313923603 /nfs/dbraw/zinc/92/36/03/1313923603.db2.gz FFFVNMKLJLEKCM-IAGOWNOFSA-N 1 3 337.533 2.602 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1)N(C)C ZINC001208414594 1313923803 /nfs/dbraw/zinc/92/38/03/1313923803.db2.gz TWWBIWQZYQHIPD-RBUKOAKNSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1cc(C)cc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001208425805 1313926773 /nfs/dbraw/zinc/92/67/73/1313926773.db2.gz ZAUYDFAJJCOZEE-IEBWSBKVSA-N 1 3 343.515 2.582 20 0 EFADHO CCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001208435221 1313928149 /nfs/dbraw/zinc/92/81/49/1313928149.db2.gz XMUXLTPCCHYJOP-VQIMIIECSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(C)c1NC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364286 1313929614 /nfs/dbraw/zinc/92/96/14/1313929614.db2.gz YUYUMXSSLGYLNX-INIZCTEOSA-N 1 3 346.544 2.718 20 0 EFADHO C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208448181 1313931134 /nfs/dbraw/zinc/93/11/34/1313931134.db2.gz WUMOJRGIPCWZFU-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001208453056 1313932475 /nfs/dbraw/zinc/93/24/75/1313932475.db2.gz AAEKNTVHKVGRLQ-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO NCCC[NH2+]CCCNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001239395869 1313932675 /nfs/dbraw/zinc/93/26/75/1313932675.db2.gz AORISTIQEGFYLR-UHFFFAOYSA-N 1 3 335.304 2.608 20 0 EFADHO CC(C)Cc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208496514 1313943975 /nfs/dbraw/zinc/94/39/75/1313943975.db2.gz XBQSCTLESTWWFM-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C)N(C)C ZINC001208530492 1313954032 /nfs/dbraw/zinc/95/40/32/1313954032.db2.gz YGMSLWJHLNXKPG-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCCC2CCCC2)C[C@H]1C)N(C)C ZINC001208530492 1313954035 /nfs/dbraw/zinc/95/40/35/1313954035.db2.gz YGMSLWJHLNXKPG-BHIYHBOVSA-N 1 3 337.552 2.980 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21)C1CC1 ZINC001114409002 1304047560 /nfs/dbraw/zinc/04/75/60/1304047560.db2.gz FDJCKWKESZDUJK-YDZRNGNQSA-N 1 3 347.547 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@H]21)C1CC1 ZINC001114409002 1304047564 /nfs/dbraw/zinc/04/75/64/1304047564.db2.gz FDJCKWKESZDUJK-YDZRNGNQSA-N 1 3 347.547 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C)N(CC)CC ZINC001208575506 1313965584 /nfs/dbraw/zinc/96/55/84/1313965584.db2.gz PRBFCXITUONNFF-BMFZPTHFSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C)N(CC)CC ZINC001208575506 1313965587 /nfs/dbraw/zinc/96/55/87/1313965587.db2.gz PRBFCXITUONNFF-BMFZPTHFSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1nc(C)c(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)[nH]1 ZINC001276569417 1313967593 /nfs/dbraw/zinc/96/75/93/1313967593.db2.gz BNFKJIBHQDIIPO-CALCHBBNSA-N 1 3 327.476 2.699 20 0 EFADHO Cc1nc(C)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)[nH]1 ZINC001276569417 1313967596 /nfs/dbraw/zinc/96/75/96/1313967596.db2.gz BNFKJIBHQDIIPO-CALCHBBNSA-N 1 3 327.476 2.699 20 0 EFADHO CC[NH+]1CCC(CN2CC3(C2)CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001208592090 1313969817 /nfs/dbraw/zinc/96/98/17/1313969817.db2.gz DIPJRNVDGMOBCQ-UHFFFAOYSA-N 1 3 337.508 2.661 20 0 EFADHO CC[NH+]1CCC(CN2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC001208599365 1313972581 /nfs/dbraw/zinc/97/25/81/1313972581.db2.gz FRFOEDZSARHXMV-UHFFFAOYSA-N 1 3 331.504 2.545 20 0 EFADHO CN1CCC[C@@H](C[N@@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001208608123 1313977352 /nfs/dbraw/zinc/97/73/52/1313977352.db2.gz PMDJHXRXLLIBQO-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1CCC[C@@H](C[N@H+]2CCCCC23CN(C(=O)OC(C)(C)C)C3)C1 ZINC001208608123 1313977355 /nfs/dbraw/zinc/97/73/55/1313977355.db2.gz PMDJHXRXLLIBQO-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@H+](C)C3)CC2)CC1=O ZINC001208611493 1313979083 /nfs/dbraw/zinc/97/90/83/1313979083.db2.gz DPOKZJDHBDXQAT-QGZVFWFLSA-N 1 3 341.499 2.729 20 0 EFADHO CN1c2ccccc2C2(CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1=O ZINC001208611493 1313979087 /nfs/dbraw/zinc/97/90/87/1313979087.db2.gz DPOKZJDHBDXQAT-QGZVFWFLSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1cnc(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306212 1313979920 /nfs/dbraw/zinc/97/99/20/1313979920.db2.gz BMMCLGVJLRNONS-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cnc(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306212 1313979924 /nfs/dbraw/zinc/97/99/24/1313979924.db2.gz BMMCLGVJLRNONS-OAQYLSRUSA-N 1 3 344.547 2.938 20 0 EFADHO CN(CC(=O)N1CCC([NH2+]CCc2ccccc2)CC1)CC(C)(C)C ZINC001202526248 1304371967 /nfs/dbraw/zinc/37/19/67/1304371967.db2.gz BPYPVHSPFMELGQ-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC3(CCCN3C(=O)c3ccco3)CC2)C1 ZINC001208611794 1313980532 /nfs/dbraw/zinc/98/05/32/1313980532.db2.gz YABKLBPHSDZTPO-QGZVFWFLSA-N 1 3 345.487 2.692 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC3(CCCN3C(=O)c3ccco3)CC2)C1 ZINC001208611794 1313980537 /nfs/dbraw/zinc/98/05/37/1313980537.db2.gz YABKLBPHSDZTPO-QGZVFWFLSA-N 1 3 345.487 2.692 20 0 EFADHO C[N@@H+]1CCC[C@H](CN2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001208616671 1313981934 /nfs/dbraw/zinc/98/19/34/1313981934.db2.gz KZGQFHBZSNYYGY-INIZCTEOSA-N 1 3 340.471 2.815 20 0 EFADHO C[N@H+]1CCC[C@H](CN2CCC(Oc3ncnc4ccccc43)CC2)C1 ZINC001208616671 1313981936 /nfs/dbraw/zinc/98/19/36/1313981936.db2.gz KZGQFHBZSNYYGY-INIZCTEOSA-N 1 3 340.471 2.815 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001018635651 1313982912 /nfs/dbraw/zinc/98/29/12/1313982912.db2.gz QOHKTAYABYEGDH-ICSRJNTNSA-N 1 3 337.467 2.625 20 0 EFADHO CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208621258 1313983258 /nfs/dbraw/zinc/98/32/58/1313983258.db2.gz ZXGGMXSCJHDFAR-GPMSIDNRSA-N 1 3 341.515 2.826 20 0 EFADHO CCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001208621258 1313983260 /nfs/dbraw/zinc/98/32/60/1313983260.db2.gz ZXGGMXSCJHDFAR-GPMSIDNRSA-N 1 3 341.515 2.826 20 0 EFADHO c1cc(CN2CCOCC3(CC[NH+](CCC4CC4)CC3)C2)ccn1 ZINC001208682005 1313992906 /nfs/dbraw/zinc/99/29/06/1313992906.db2.gz CZAMNBBOSRUJPG-UHFFFAOYSA-N 1 3 329.488 2.796 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)CCc1ccc(Cl)cc1 ZINC001208741136 1314007030 /nfs/dbraw/zinc/00/70/30/1314007030.db2.gz QUNSLFNARQSCAY-UHFFFAOYSA-N 1 3 326.868 2.699 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)CCc1ccc(Cl)cc1 ZINC001208741136 1314007033 /nfs/dbraw/zinc/00/70/33/1314007033.db2.gz QUNSLFNARQSCAY-UHFFFAOYSA-N 1 3 326.868 2.699 20 0 EFADHO CN(Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)nc1)C1CC1 ZINC001240237937 1314008253 /nfs/dbraw/zinc/00/82/53/1314008253.db2.gz IJJVMQWBGQGBHH-UHFFFAOYSA-N 1 3 336.483 2.748 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208759903 1314010498 /nfs/dbraw/zinc/01/04/98/1314010498.db2.gz WHESIQIAVKEDDK-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@H](F)CN[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208759903 1314010500 /nfs/dbraw/zinc/01/05/00/1314010500.db2.gz WHESIQIAVKEDDK-DLBZAZTESA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H](F)CN[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208770213 1314011660 /nfs/dbraw/zinc/01/16/60/1314011660.db2.gz QIVBMYJTETZANS-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001037930105 1304853400 /nfs/dbraw/zinc/85/34/00/1304853400.db2.gz XPKLMEWFXGSZGM-MSOLQXFVSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)CCN1CC[N@H+](CC2(c3ccccc3)CCCC2)CCC1=O ZINC001208778029 1314014279 /nfs/dbraw/zinc/01/42/79/1314014279.db2.gz PQGRBOILGOXMSK-UHFFFAOYSA-N 1 3 343.515 2.594 20 0 EFADHO CN(C)CCN1CC[N@@H+](CC2(c3ccccc3)CCCC2)CCC1=O ZINC001208778029 1314014280 /nfs/dbraw/zinc/01/42/80/1314014280.db2.gz PQGRBOILGOXMSK-UHFFFAOYSA-N 1 3 343.515 2.594 20 0 EFADHO CN1CCN(Cc2cccc(-c3cccc(-n4cc[nH+]c4N)c3)c2)CC1 ZINC001240303388 1314018002 /nfs/dbraw/zinc/01/80/02/1314018002.db2.gz BTJZQPWYGNDKJZ-UHFFFAOYSA-N 1 3 347.466 2.869 20 0 EFADHO COCC[NH+](CCOC)C1CCN(C[C@@H]2CCc3ccccc32)CC1 ZINC000796515371 1304917737 /nfs/dbraw/zinc/91/77/37/1304917737.db2.gz DUWBSVRANSCVNK-IBGZPJMESA-N 1 3 346.515 2.776 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001037934670 1304918213 /nfs/dbraw/zinc/91/82/13/1304918213.db2.gz OMETYBNORCGPGL-FUHWJXTLSA-N 1 3 330.476 2.669 20 0 EFADHO CC[C@@H](CCC(=O)OC)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001208798194 1314018983 /nfs/dbraw/zinc/01/89/83/1314018983.db2.gz RNLSOVPCUXGGGK-HNNXBMFYSA-N 1 3 328.472 2.864 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC001037935157 1304974578 /nfs/dbraw/zinc/97/45/78/1304974578.db2.gz PSEYERLVDKQYGX-IEBWSBKVSA-N 1 3 340.471 2.678 20 0 EFADHO CC(=O)NCc1cccc(-c2ccccc2CN2CCC([NH3+])CC2)c1 ZINC001240353312 1314024095 /nfs/dbraw/zinc/02/40/95/1314024095.db2.gz ZGZNHBNLPPDHGX-UHFFFAOYSA-N 1 3 337.467 2.913 20 0 EFADHO Cc1c2ccccc2[nH]c1CN1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001276593273 1314028218 /nfs/dbraw/zinc/02/82/18/1314028218.db2.gz GBMWHXDPNFKMRR-UHFFFAOYSA-N 1 3 340.515 2.936 20 0 EFADHO CC(C)[C@H](C(=O)N1Cc2ccccc2C2(CC[NH+](C)CC2)C1)N(C)C ZINC000870182727 1305192921 /nfs/dbraw/zinc/19/29/21/1305192921.db2.gz ITXWBTGUVRGKKU-LJQANCHMSA-N 1 3 343.515 2.578 20 0 EFADHO C[C@@H](C[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1)C(F)(F)F ZINC001208886891 1314039888 /nfs/dbraw/zinc/03/98/88/1314039888.db2.gz FWNDNMJYNPNTMW-NUEKZKHPSA-N 1 3 334.426 2.865 20 0 EFADHO C[C@@H](C[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1)C(F)(F)F ZINC001208886891 1314039890 /nfs/dbraw/zinc/03/98/90/1314039890.db2.gz FWNDNMJYNPNTMW-NUEKZKHPSA-N 1 3 334.426 2.865 20 0 EFADHO Cc1ccc2[nH]c(CN3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)cc2c1 ZINC001276597639 1314043239 /nfs/dbraw/zinc/04/32/39/1314043239.db2.gz NAIWOPLIJYIYLR-PMACEKPBSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1ccc2[nH]c(CN3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)cc2c1 ZINC001276597639 1314043242 /nfs/dbraw/zinc/04/32/42/1314043242.db2.gz NAIWOPLIJYIYLR-PMACEKPBSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1nc(CC[N@@H+](C)C[C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC001208931454 1314049927 /nfs/dbraw/zinc/04/99/27/1314049927.db2.gz KHZPXSVHHKCWJH-GOSISDBHSA-N 1 3 328.460 2.765 20 0 EFADHO Cc1nc(CC[N@H+](C)C[C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC001208931454 1314049930 /nfs/dbraw/zinc/04/99/30/1314049930.db2.gz KHZPXSVHHKCWJH-GOSISDBHSA-N 1 3 328.460 2.765 20 0 EFADHO OCC[C@@H]1CC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208941865 1314052475 /nfs/dbraw/zinc/05/24/75/1314052475.db2.gz NKNKUAAKFPYCCO-WOJBJXKFSA-N 1 3 328.500 2.993 20 0 EFADHO OCC[C@@H]1CC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208941865 1314052477 /nfs/dbraw/zinc/05/24/77/1314052477.db2.gz NKNKUAAKFPYCCO-WOJBJXKFSA-N 1 3 328.500 2.993 20 0 EFADHO COC(=O)CC1CCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208942117 1314052628 /nfs/dbraw/zinc/05/26/28/1314052628.db2.gz OLPZZOGWELSBDY-IBGZPJMESA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)CC1CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208942117 1314052630 /nfs/dbraw/zinc/05/26/30/1314052630.db2.gz OLPZZOGWELSBDY-IBGZPJMESA-N 1 3 330.472 2.784 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208942099 1314052703 /nfs/dbraw/zinc/05/27/03/1314052703.db2.gz GORFZNSGFADDTR-NHCUHLMSSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N1CCC[C@@H](N(C)C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208942099 1314052704 /nfs/dbraw/zinc/05/27/04/1314052704.db2.gz GORFZNSGFADDTR-NHCUHLMSSA-N 1 3 343.515 2.841 20 0 EFADHO COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946883 1314055623 /nfs/dbraw/zinc/05/56/23/1314055623.db2.gz JJKSQUCQPMUMDF-MOPGFXCFSA-N 1 3 342.483 2.784 20 0 EFADHO COC(=O)[C@@H]1CN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946883 1314055625 /nfs/dbraw/zinc/05/56/25/1314055625.db2.gz JJKSQUCQPMUMDF-MOPGFXCFSA-N 1 3 342.483 2.784 20 0 EFADHO CN1C(=O)CCC12CCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208964922 1314060161 /nfs/dbraw/zinc/06/01/61/1314060161.db2.gz SWFGROADOCMWRB-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1C(=O)CCC12CCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208964922 1314060162 /nfs/dbraw/zinc/06/01/62/1314060162.db2.gz SWFGROADOCMWRB-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CCF ZINC001037985372 1305563092 /nfs/dbraw/zinc/56/30/92/1305563092.db2.gz VLGWKYMFGLKVNX-SJLPKXTDSA-N 1 3 335.467 2.548 20 0 EFADHO CC[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]C(C)C ZINC001037981092 1305574605 /nfs/dbraw/zinc/57/46/05/1305574605.db2.gz BVTIWADQOHVZEP-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000967925771 1305607195 /nfs/dbraw/zinc/60/71/95/1305607195.db2.gz RJAHWPFCEKUKIN-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1cccc(OC)c1 ZINC000870859951 1305634293 /nfs/dbraw/zinc/63/42/93/1305634293.db2.gz BHRQRBBNHMLDTB-SZVBFZGTSA-N 1 3 347.503 2.712 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000870964665 1305713929 /nfs/dbraw/zinc/71/39/29/1305713929.db2.gz IUPHRTMQIIVLFB-UHFFFAOYSA-N 1 3 340.471 2.679 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141468 1305950491 /nfs/dbraw/zinc/95/04/91/1305950491.db2.gz FKWVQVHXIGDUDA-LPHOPBHVSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141468 1305950499 /nfs/dbraw/zinc/95/04/99/1305950499.db2.gz FKWVQVHXIGDUDA-LPHOPBHVSA-N 1 3 349.563 2.933 20 0 EFADHO Cc1c2ccccc2sc1CN1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276617328 1314093664 /nfs/dbraw/zinc/09/36/64/1314093664.db2.gz GPIUKUYPHLHJGT-UHFFFAOYSA-N 1 3 329.513 2.889 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001017143104 1305991538 /nfs/dbraw/zinc/99/15/38/1305991538.db2.gz SIJPFVDSBBZLOI-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO CN(CC(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccsc2)C1)C1CCC1 ZINC001017143104 1305991551 /nfs/dbraw/zinc/99/15/51/1305991551.db2.gz SIJPFVDSBBZLOI-MRXNPFEDSA-N 1 3 349.544 2.903 20 0 EFADHO Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc[nH]c(=O)c1 ZINC001276618939 1314097267 /nfs/dbraw/zinc/09/72/67/1314097267.db2.gz VTBYWWGHDFIOJP-MQVJKMGUSA-N 1 3 344.484 2.837 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001018938410 1314102508 /nfs/dbraw/zinc/10/25/08/1314102508.db2.gz NFEKDWIIKLFNNI-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001018938410 1314102511 /nfs/dbraw/zinc/10/25/11/1314102511.db2.gz NFEKDWIIKLFNNI-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001018938411 1314102661 /nfs/dbraw/zinc/10/26/61/1314102661.db2.gz NFEKDWIIKLFNNI-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCc2cc(C)ccc2F)C1 ZINC001018938411 1314102664 /nfs/dbraw/zinc/10/26/64/1314102664.db2.gz NFEKDWIIKLFNNI-PKOBYXMFSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1noc(C)c1CN1CCC[C@@]2(CCC[N@@H+](CCN(C)C)C2)C1 ZINC001276620737 1314102726 /nfs/dbraw/zinc/10/27/26/1314102726.db2.gz KQUQLZHNMLCDLX-LJQANCHMSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1noc(C)c1CN1CCC[C@@]2(CCC[N@H+](CCN(C)C)C2)C1 ZINC001276620737 1314102729 /nfs/dbraw/zinc/10/27/29/1314102729.db2.gz KQUQLZHNMLCDLX-LJQANCHMSA-N 1 3 334.508 2.531 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCNC(C)(C)C1 ZINC001246891159 1314704045 /nfs/dbraw/zinc/70/40/45/1314704045.db2.gz NKLYOHSHPZMCOE-HZPDHXFCSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCNC(C)(C)C1 ZINC001246891159 1314704049 /nfs/dbraw/zinc/70/40/49/1314704049.db2.gz NKLYOHSHPZMCOE-HZPDHXFCSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246891159 1314704053 /nfs/dbraw/zinc/70/40/53/1314704053.db2.gz NKLYOHSHPZMCOE-HZPDHXFCSA-N 1 3 328.497 2.587 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)C1C[C@@H](C)N[C@H](C)C1 ZINC001246893166 1314704879 /nfs/dbraw/zinc/70/48/79/1314704879.db2.gz UVGKQIJFXAKESX-BZUAXINKSA-N 1 3 328.497 2.586 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)C1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001246893166 1314704881 /nfs/dbraw/zinc/70/48/81/1314704881.db2.gz UVGKQIJFXAKESX-BZUAXINKSA-N 1 3 328.497 2.586 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC=C(Cl)Cl ZINC001214889657 1314753507 /nfs/dbraw/zinc/75/35/07/1314753507.db2.gz ODDOGOUJZTUIEF-MGPQQGTHSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC=C(Cl)Cl ZINC001214889657 1314753511 /nfs/dbraw/zinc/75/35/11/1314753511.db2.gz ODDOGOUJZTUIEF-MGPQQGTHSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018963139 1314112755 /nfs/dbraw/zinc/11/27/55/1314112755.db2.gz AQMFDDMVUIKTBZ-SFHVURJKSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001018963461 1314112961 /nfs/dbraw/zinc/11/29/61/1314112961.db2.gz NXYGKZDZIGOSDN-INIZCTEOSA-N 1 3 335.879 2.515 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)C1CC1 ZINC001018966979 1314113981 /nfs/dbraw/zinc/11/39/81/1314113981.db2.gz YOYMHMUFTVFDAP-PMACEKPBSA-N 1 3 341.499 2.595 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001018966036 1314114000 /nfs/dbraw/zinc/11/40/00/1314114000.db2.gz BICKSAWNCUSCTJ-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C1)C1CC1 ZINC001018967017 1314114051 /nfs/dbraw/zinc/11/40/51/1314114051.db2.gz ZWSYPWOCQIPANP-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001018966892 1314114119 /nfs/dbraw/zinc/11/41/19/1314114119.db2.gz WQGVSGZPZMZQHL-WMZOPIPTSA-N 1 3 347.528 2.846 20 0 EFADHO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[C@H](NCc2ccsc2)C1 ZINC001018966892 1314114122 /nfs/dbraw/zinc/11/41/22/1314114122.db2.gz WQGVSGZPZMZQHL-WMZOPIPTSA-N 1 3 347.528 2.846 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC001018966592 1314114129 /nfs/dbraw/zinc/11/41/29/1314114129.db2.gz NDSRDXRPMQQFKR-VQTJNVASSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001018968222 1314114432 /nfs/dbraw/zinc/11/44/32/1314114432.db2.gz YKCIPJICGKXMHP-RBUKOAKNSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC001018968222 1314114435 /nfs/dbraw/zinc/11/44/35/1314114435.db2.gz YKCIPJICGKXMHP-RBUKOAKNSA-N 1 3 347.478 2.779 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001018971529 1314117337 /nfs/dbraw/zinc/11/73/37/1314117337.db2.gz FFIWDIUVKYTFHP-YOEHRIQHSA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001018971793 1314117461 /nfs/dbraw/zinc/11/74/61/1314117461.db2.gz UAMVHVRZMSKDTD-PKOBYXMFSA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001018999013 1314126746 /nfs/dbraw/zinc/12/67/46/1314126746.db2.gz CPMXAZYVIRZTCW-SXLOBPIMSA-N 1 3 343.515 2.841 20 0 EFADHO [NH3+]C1CCN(c2cncc(C3=CCN(Cc4ccccc4)CC3)n2)CC1 ZINC001241502608 1314126821 /nfs/dbraw/zinc/12/68/21/1314126821.db2.gz OFEUETBDZBQNIO-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999010 1314126864 /nfs/dbraw/zinc/12/68/64/1314126864.db2.gz CNICCZXSBMPSCZ-OALUTQOASA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673774 1306555908 /nfs/dbraw/zinc/55/59/08/1306555908.db2.gz MAPGPTIVDMBYSY-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673774 1306555914 /nfs/dbraw/zinc/55/59/14/1306555914.db2.gz MAPGPTIVDMBYSY-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674254 1306557248 /nfs/dbraw/zinc/55/72/48/1306557248.db2.gz QEARUQYCFHFIIR-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674254 1306557251 /nfs/dbraw/zinc/55/72/51/1306557251.db2.gz QEARUQYCFHFIIR-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674257 1306557472 /nfs/dbraw/zinc/55/74/72/1306557472.db2.gz QEARUQYCFHFIIR-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000968674257 1306557475 /nfs/dbraw/zinc/55/74/75/1306557475.db2.gz QEARUQYCFHFIIR-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680916 1306562849 /nfs/dbraw/zinc/56/28/49/1306562849.db2.gz FDHJLUZBTQLAAI-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1CC[N@@H+](CCCF)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680916 1306562852 /nfs/dbraw/zinc/56/28/52/1306562852.db2.gz FDHJLUZBTQLAAI-CRAIPNDOSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@H+](CCCF)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680920 1306563451 /nfs/dbraw/zinc/56/34/51/1306563451.db2.gz FDHJLUZBTQLAAI-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CC[N@@H+](CCCF)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968680920 1306563454 /nfs/dbraw/zinc/56/34/54/1306563454.db2.gz FDHJLUZBTQLAAI-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682807 1306564874 /nfs/dbraw/zinc/56/48/74/1306564874.db2.gz UZPQMFDHJOWLLY-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682807 1306564879 /nfs/dbraw/zinc/56/48/79/1306564879.db2.gz UZPQMFDHJOWLLY-UZLBHIALSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682804 1306565248 /nfs/dbraw/zinc/56/52/48/1306565248.db2.gz UZPQMFDHJOWLLY-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1NC(=O)c1ccccc1CN(C)C ZINC000968682804 1306565251 /nfs/dbraw/zinc/56/52/51/1306565251.db2.gz UZPQMFDHJOWLLY-JXFKEZNVSA-N 1 3 343.515 2.989 20 0 EFADHO COc1ccc(C)cc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276631072 1314134682 /nfs/dbraw/zinc/13/46/82/1314134682.db2.gz HSWACBDXARBVDX-OAQYLSRUSA-N 1 3 345.531 2.853 20 0 EFADHO COc1ccc(C)cc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276631072 1314134686 /nfs/dbraw/zinc/13/46/86/1314134686.db2.gz HSWACBDXARBVDX-OAQYLSRUSA-N 1 3 345.531 2.853 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CN(C[C@@H]1C[C@H]1c1ccc(Cl)cc1)C2 ZINC001276631242 1314135265 /nfs/dbraw/zinc/13/52/65/1314135265.db2.gz LWVJDCXKDCNMHB-WMZOPIPTSA-N 1 3 333.907 2.623 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CN(C[C@H]1C[C@@H]1c1ccc(Cl)cc1)C2 ZINC001276631241 1314135274 /nfs/dbraw/zinc/13/52/74/1314135274.db2.gz LWVJDCXKDCNMHB-SJLPKXTDSA-N 1 3 333.907 2.623 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968728359 1306601338 /nfs/dbraw/zinc/60/13/38/1306601338.db2.gz KZGLBECUWIZLNG-BZUAXINKSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968728359 1306601344 /nfs/dbraw/zinc/60/13/44/1306601344.db2.gz KZGLBECUWIZLNG-BZUAXINKSA-N 1 3 349.906 2.679 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001209315569 1314137850 /nfs/dbraw/zinc/13/78/50/1314137850.db2.gz RGLYFBUDPYHWLJ-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CN(C)C1CCC1 ZINC001044628665 1306672521 /nfs/dbraw/zinc/67/25/21/1306672521.db2.gz IQRQDXXJPVRJED-WMZOPIPTSA-N 1 3 333.520 2.940 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccccc2F)CCN1C(=O)CN(C)C1CCC1 ZINC001044628096 1306672566 /nfs/dbraw/zinc/67/25/66/1306672566.db2.gz FRTMOIQAWFIHFH-DOTOQJQBSA-N 1 3 347.478 2.779 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC001019032302 1314142732 /nfs/dbraw/zinc/14/27/32/1314142732.db2.gz PEOUWTWXXXCCKH-WSTZPKSXSA-N 1 3 343.515 2.637 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001019032250 1314142825 /nfs/dbraw/zinc/14/28/25/1314142825.db2.gz NEAOFQFTJDXSGW-RBUKOAKNSA-N 1 3 329.488 2.595 20 0 EFADHO CN(C)CCC[N@H+](C)Cc1ccc(Br)c2nsnc21 ZINC001249707726 1315125306 /nfs/dbraw/zinc/12/53/06/1315125306.db2.gz GPHBPOUWXIHKOY-UHFFFAOYSA-N 1 3 343.294 2.837 20 0 EFADHO CN(C)CCC[N@@H+](C)Cc1ccc(Br)c2nsnc21 ZINC001249707726 1315125308 /nfs/dbraw/zinc/12/53/08/1315125308.db2.gz GPHBPOUWXIHKOY-UHFFFAOYSA-N 1 3 343.294 2.837 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000968851168 1306722561 /nfs/dbraw/zinc/72/25/61/1306722561.db2.gz NFEKDWIIKLFNNI-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000968851168 1306722565 /nfs/dbraw/zinc/72/25/65/1306722565.db2.gz NFEKDWIIKLFNNI-MJGOQNOKSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044753190 1306773959 /nfs/dbraw/zinc/77/39/59/1306773959.db2.gz AMYXZLOUICAPIQ-NVXWUHKLSA-N 1 3 330.476 2.812 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC000968904131 1306777595 /nfs/dbraw/zinc/77/75/95/1306777595.db2.gz KIVJZSVTYSOTGD-QZTJIDSGSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000968912643 1306785988 /nfs/dbraw/zinc/78/59/88/1306785988.db2.gz NNABEWVWRLCOHU-UYAOXDASSA-N 1 3 343.515 2.643 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916167 1306790455 /nfs/dbraw/zinc/79/04/55/1306790455.db2.gz XVULFBBSVYNOGT-IAGOWNOFSA-N 1 3 335.517 2.702 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H](NCc2ccsc2)C1 ZINC000968916167 1306790459 /nfs/dbraw/zinc/79/04/59/1306790459.db2.gz XVULFBBSVYNOGT-IAGOWNOFSA-N 1 3 335.517 2.702 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C[C@H]2C)CC1 ZINC001044792884 1306805254 /nfs/dbraw/zinc/80/52/54/1306805254.db2.gz MVOTTWNLYLINOI-IEBWSBKVSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC000968988798 1306866555 /nfs/dbraw/zinc/86/65/55/1306866555.db2.gz ALFHNLGSMZNNIH-QUCCMNQESA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC001044858268 1306868132 /nfs/dbraw/zinc/86/81/32/1306868132.db2.gz QZLXOCPFLSUERF-RDJZCZTQSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC001044857535 1306868437 /nfs/dbraw/zinc/86/84/37/1306868437.db2.gz KSUQTWAGBIUWLJ-QAPCUYQASA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c1 ZINC001044859020 1306869096 /nfs/dbraw/zinc/86/90/96/1306869096.db2.gz YVNKQJVGCKDJNP-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H](C)C1 ZINC001044858846 1306869690 /nfs/dbraw/zinc/86/96/90/1306869690.db2.gz WOQKMRXYCXLKRU-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC000968994656 1306871567 /nfs/dbraw/zinc/87/15/67/1306871567.db2.gz XLKMUFZVGBWADC-MOVUHUBBSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000968994656 1306871571 /nfs/dbraw/zinc/87/15/71/1306871571.db2.gz XLKMUFZVGBWADC-MOVUHUBBSA-N 1 3 327.900 2.584 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC2)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001044861843 1306872751 /nfs/dbraw/zinc/87/27/51/1306872751.db2.gz GSZYBXOJQBNHLV-KXBFYZLASA-N 1 3 329.488 2.741 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC1 ZINC000969014286 1306888733 /nfs/dbraw/zinc/88/87/33/1306888733.db2.gz WKOQSKICROBTJC-HNNXBMFYSA-N 1 3 349.441 2.641 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC000969074801 1306948455 /nfs/dbraw/zinc/94/84/55/1306948455.db2.gz SZAUZEZJLATGPH-UYAOXDASSA-N 1 3 339.483 2.871 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC000969074830 1306948464 /nfs/dbraw/zinc/94/84/64/1306948464.db2.gz VNIUXOVNDQFPPJ-KBRIMQKVSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C(C)C)C1)N(C)C ZINC000969077222 1306951012 /nfs/dbraw/zinc/95/10/12/1306951012.db2.gz MDCNKRBCOFJCAQ-IEBWSBKVSA-N 1 3 331.504 2.841 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001044960032 1306955868 /nfs/dbraw/zinc/95/58/68/1306955868.db2.gz SGCCEGJWKSJTCH-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001044959071 1306955967 /nfs/dbraw/zinc/95/59/67/1306955967.db2.gz ANJCOPBEAPPBJA-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044960088 1306956201 /nfs/dbraw/zinc/95/62/01/1306956201.db2.gz VMCCZBMEMUJYPV-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001044959074 1306956386 /nfs/dbraw/zinc/95/63/86/1306956386.db2.gz ANJCOPBEAPPBJA-VQTJNVASSA-N 1 3 343.515 2.814 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001044960398 1306956457 /nfs/dbraw/zinc/95/64/57/1306956457.db2.gz ZUJXXZMCOWLAOO-IRXDYDNUSA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1C[C@H]1C[NH+]1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001209410836 1314158257 /nfs/dbraw/zinc/15/82/57/1314158257.db2.gz ASIXZUYHDJALFT-HKUYNNGSSA-N 1 3 329.488 2.652 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045033869 1307007708 /nfs/dbraw/zinc/00/77/08/1307007708.db2.gz HZXHWQAFZYGVEU-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045033869 1307007713 /nfs/dbraw/zinc/00/77/13/1307007713.db2.gz HZXHWQAFZYGVEU-HKUYNNGSSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045033870 1307008303 /nfs/dbraw/zinc/00/83/03/1307008303.db2.gz HZXHWQAFZYGVEU-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1F ZINC001045033870 1307008305 /nfs/dbraw/zinc/00/83/05/1307008305.db2.gz HZXHWQAFZYGVEU-PKOBYXMFSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)cc1C ZINC001045067004 1307030699 /nfs/dbraw/zinc/03/06/99/1307030699.db2.gz CEJUFJSYCVTZLG-PMACEKPBSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1(N(C)C)CCC1)c1ccccc1 ZINC001045067451 1307030753 /nfs/dbraw/zinc/03/07/53/1307030753.db2.gz SWAKCVVFJNKUQL-AEFFLSMTSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001045067373 1307030862 /nfs/dbraw/zinc/03/08/62/1307030862.db2.gz LTGAYZCSEHTXFN-AZUAARDMSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001045067756 1307031481 /nfs/dbraw/zinc/03/14/81/1307031481.db2.gz SJIIIJHZUHTRSV-ROUUACIJSA-N 1 3 349.906 2.761 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)C1CCC1 ZINC001045070718 1307033440 /nfs/dbraw/zinc/03/34/40/1307033440.db2.gz SMVYWYATPLCKJB-SFHVURJKSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC001045090171 1307045575 /nfs/dbraw/zinc/04/55/75/1307045575.db2.gz XFHCOPHCZNMYJV-FUHWJXTLSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001045089413 1307045522 /nfs/dbraw/zinc/04/55/22/1307045522.db2.gz HWGYBFLMKPFPAH-JKSUJKDBSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001045090161 1307045545 /nfs/dbraw/zinc/04/55/45/1307045545.db2.gz WQNXBDOSNUTLCJ-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001209447109 1314164100 /nfs/dbraw/zinc/16/41/00/1314164100.db2.gz XHJSWPZRDNEYIS-HIFRSBDPSA-N 1 3 339.430 2.558 20 0 EFADHO O=C1Nc2c(cccc2F)C12CC[NH+](CCCN1CCCCC1)CC2 ZINC001209448801 1314164255 /nfs/dbraw/zinc/16/42/55/1314164255.db2.gz JDZSDMCTSNOWQW-UHFFFAOYSA-N 1 3 345.462 2.987 20 0 EFADHO c1ccc(O[C@@H]2CO[C@@]3(CC[N@@H+](CCCN4CCCCC4)C3)C2)nc1 ZINC001209451136 1314165409 /nfs/dbraw/zinc/16/54/09/1314165409.db2.gz SWKZQXJLNXKKGO-ICSRJNTNSA-N 1 3 345.487 2.570 20 0 EFADHO c1ccc(O[C@@H]2CO[C@@]3(CC[N@H+](CCCN4CCCCC4)C3)C2)nc1 ZINC001209451136 1314165411 /nfs/dbraw/zinc/16/54/11/1314165411.db2.gz SWKZQXJLNXKKGO-ICSRJNTNSA-N 1 3 345.487 2.570 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)N(C)C ZINC001045187141 1307122839 /nfs/dbraw/zinc/12/28/39/1307122839.db2.gz DQFHCIRMNJOVIS-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)c(C)s1 ZINC001045199880 1307134910 /nfs/dbraw/zinc/13/49/10/1307134910.db2.gz LULJHDBYHCFMQG-KSSFIOAISA-N 1 3 349.544 2.930 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001045200193 1307135174 /nfs/dbraw/zinc/13/51/74/1307135174.db2.gz PDZLPKYDGIFHQA-APWZRJJASA-N 1 3 347.478 2.579 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001045200396 1307135238 /nfs/dbraw/zinc/13/52/38/1307135238.db2.gz WTLCMXMDXZTTNR-PXNSSMCTSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001045200711 1307135960 /nfs/dbraw/zinc/13/59/60/1307135960.db2.gz MVQJDLYTOSLFEP-APWZRJJASA-N 1 3 347.478 2.699 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001045200814 1307136183 /nfs/dbraw/zinc/13/61/83/1307136183.db2.gz QIXRYZDEUMTQKQ-LPHOPBHVSA-N 1 3 347.478 2.721 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)N(C)C ZINC001045205758 1307137985 /nfs/dbraw/zinc/13/79/85/1307137985.db2.gz WGSYTXIERVKKQH-OALUTQOASA-N 1 3 331.504 2.670 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC001045218072 1307147831 /nfs/dbraw/zinc/14/78/31/1307147831.db2.gz HGVYQTMJWWRZIO-IBGZPJMESA-N 1 3 340.471 2.686 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]Cc1ccc2ccccc2c1 ZINC001045219108 1307149097 /nfs/dbraw/zinc/14/90/97/1307149097.db2.gz GYQIUJOZKCHNMD-FQEVSTJZSA-N 1 3 348.450 2.886 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001209485429 1314171599 /nfs/dbraw/zinc/17/15/99/1314171599.db2.gz PERZVLHIMKFPPJ-DLBZAZTESA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001209485430 1314171631 /nfs/dbraw/zinc/17/16/31/1314171631.db2.gz PERZVLHIMKFPPJ-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC001045273595 1307194424 /nfs/dbraw/zinc/19/44/24/1307194424.db2.gz PRQGEJVOKVKLIG-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CNC[C@@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001045273595 1307194430 /nfs/dbraw/zinc/19/44/30/1307194430.db2.gz PRQGEJVOKVKLIG-AEFFLSMTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)c(Cl)c1 ZINC001045312255 1307231553 /nfs/dbraw/zinc/23/15/53/1307231553.db2.gz YSOGENAIFJTEGV-KRWDZBQOSA-N 1 3 349.906 2.825 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)c1 ZINC001045321185 1307238966 /nfs/dbraw/zinc/23/89/66/1307238966.db2.gz DLOXJMTZKYUVLE-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001045321033 1307238996 /nfs/dbraw/zinc/23/89/96/1307238996.db2.gz CQKCICQFAFRVMK-OALUTQOASA-N 1 3 347.478 2.781 20 0 EFADHO CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(Cc2ccsc2)CC1 ZINC001045440416 1307341131 /nfs/dbraw/zinc/34/11/31/1307341131.db2.gz JZKVONFNWJCZDT-QGZVFWFLSA-N 1 3 347.528 2.561 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC001045443024 1307342514 /nfs/dbraw/zinc/34/25/14/1307342514.db2.gz DRKNBJPILTWZHT-NVXWUHKLSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001045443024 1307342515 /nfs/dbraw/zinc/34/25/15/1307342515.db2.gz DRKNBJPILTWZHT-NVXWUHKLSA-N 1 3 349.544 2.867 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001007330079 1307371854 /nfs/dbraw/zinc/37/18/54/1307371854.db2.gz XBDPLSQLAYLRML-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001007330079 1307371859 /nfs/dbraw/zinc/37/18/59/1307371859.db2.gz XBDPLSQLAYLRML-WOJBJXKFSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333186 1307373503 /nfs/dbraw/zinc/37/35/03/1307373503.db2.gz NLLNMOPJXWWQQB-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333186 1307373506 /nfs/dbraw/zinc/37/35/06/1307373506.db2.gz NLLNMOPJXWWQQB-CVEARBPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)CC[N@@H+]1C ZINC001007369068 1307392576 /nfs/dbraw/zinc/39/25/76/1307392576.db2.gz PIXBQRXLTNREJT-SLFFLAALSA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)CC[N@H+]1C ZINC001007369068 1307392581 /nfs/dbraw/zinc/39/25/81/1307392581.db2.gz PIXBQRXLTNREJT-SLFFLAALSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC001045556048 1307427139 /nfs/dbraw/zinc/42/71/39/1307427139.db2.gz CURVFPQVTBJTTN-YOEHRIQHSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC001045556048 1307427143 /nfs/dbraw/zinc/42/71/43/1307427143.db2.gz CURVFPQVTBJTTN-YOEHRIQHSA-N 1 3 349.544 2.725 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620107 1307457769 /nfs/dbraw/zinc/45/77/69/1307457769.db2.gz BPILLHHPGZMGIY-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620107 1307457775 /nfs/dbraw/zinc/45/77/75/1307457775.db2.gz BPILLHHPGZMGIY-MOPGFXCFSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640147 1307492810 /nfs/dbraw/zinc/49/28/10/1307492810.db2.gz GWKQGYWYXHSBCK-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045640147 1307492812 /nfs/dbraw/zinc/49/28/12/1307492812.db2.gz GWKQGYWYXHSBCK-WBVHZDCISA-N 1 3 347.478 2.809 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@H+](CC(C)(C)CN(C)C)C2 ZINC001276654578 1314193690 /nfs/dbraw/zinc/19/36/90/1314193690.db2.gz RBNSNZZFHZHKKM-CEXWTWQISA-N 1 3 345.531 2.629 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)(C)CN(C)C)C2 ZINC001276654578 1314193693 /nfs/dbraw/zinc/19/36/93/1314193693.db2.gz RBNSNZZFHZHKKM-CEXWTWQISA-N 1 3 345.531 2.629 20 0 EFADHO CC[NH+](CC)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C(C)C ZINC001209585903 1314194755 /nfs/dbraw/zinc/19/47/55/1314194755.db2.gz SBAHLUJWLLJTNN-RLLQIKCJSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007748968 1307579873 /nfs/dbraw/zinc/57/98/73/1307579873.db2.gz TUMBJPHSNRWAAX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007748968 1307579877 /nfs/dbraw/zinc/57/98/77/1307579877.db2.gz TUMBJPHSNRWAAX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276658657 1314203052 /nfs/dbraw/zinc/20/30/52/1314203052.db2.gz SAYCHBQYEDUBBT-HXUWFJFHSA-N 1 3 332.536 2.890 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001276658657 1314203055 /nfs/dbraw/zinc/20/30/55/1314203055.db2.gz SAYCHBQYEDUBBT-HXUWFJFHSA-N 1 3 332.536 2.890 20 0 EFADHO CN(C)CC(C)(C)C[N@@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001276658762 1314203131 /nfs/dbraw/zinc/20/31/31/1314203131.db2.gz VYKACRSJBFHIFU-FQEVSTJZSA-N 1 3 347.551 2.676 20 0 EFADHO CN(C)CC(C)(C)C[N@H+]1CCC[C@]2(CCCN(Cc3cn[nH]c3)C2)C1 ZINC001276658762 1314203134 /nfs/dbraw/zinc/20/31/34/1314203134.db2.gz VYKACRSJBFHIFU-FQEVSTJZSA-N 1 3 347.551 2.676 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001045819823 1307690996 /nfs/dbraw/zinc/69/09/96/1307690996.db2.gz FLIFBIMXTJPKKX-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H](C1CC1)N1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045819823 1307690997 /nfs/dbraw/zinc/69/09/97/1307690997.db2.gz FLIFBIMXTJPKKX-AABGKKOBSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001209630605 1314204178 /nfs/dbraw/zinc/20/41/78/1314204178.db2.gz AHWGBTQGTQUBHJ-ICSRJNTNSA-N 1 3 343.515 2.684 20 0 EFADHO CC[NH+](CC)Cc1cccc(NC(=O)c2ccnn2CCN(C)C)c1 ZINC000900157082 1307724225 /nfs/dbraw/zinc/72/42/25/1307724225.db2.gz IBOVGAGRUPHYJY-UHFFFAOYSA-N 1 3 343.475 2.539 20 0 EFADHO CCCCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001209641630 1314206684 /nfs/dbraw/zinc/20/66/84/1314206684.db2.gz KEPJUBAEWVVWAI-QFBILLFUSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)N1CCCCCC1 ZINC001045858321 1307759638 /nfs/dbraw/zinc/75/96/38/1307759638.db2.gz IQEVLJQZGQQZCA-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)N1CCCCCC1 ZINC001045858321 1307759641 /nfs/dbraw/zinc/75/96/41/1307759641.db2.gz IQEVLJQZGQQZCA-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCF)N1CCCCCC1 ZINC001045858638 1307759704 /nfs/dbraw/zinc/75/97/04/1307759704.db2.gz POGNMWDBCROAMF-KSZLIROESA-N 1 3 339.499 2.676 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF)N1CCCCCC1 ZINC001045858638 1307759708 /nfs/dbraw/zinc/75/97/08/1307759708.db2.gz POGNMWDBCROAMF-KSZLIROESA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001209642516 1314208100 /nfs/dbraw/zinc/20/81/00/1314208100.db2.gz OHTGTMBAKDHIPA-GJZGRUSLSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)c1c[nH]cn1 ZINC001045878562 1307798301 /nfs/dbraw/zinc/79/83/01/1307798301.db2.gz BQXLNMPAENWFIX-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)c1c[nH]cn1 ZINC001045878562 1307798304 /nfs/dbraw/zinc/79/83/04/1307798304.db2.gz BQXLNMPAENWFIX-CVEARBPZSA-N 1 3 330.476 2.553 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001209659688 1314211898 /nfs/dbraw/zinc/21/18/98/1314211898.db2.gz HNOYBHBUFRCFAX-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCC1 ZINC001045896351 1307834314 /nfs/dbraw/zinc/83/43/14/1307834314.db2.gz IWBQWPDAOMUGDV-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCC1 ZINC001045896351 1307834317 /nfs/dbraw/zinc/83/43/17/1307834317.db2.gz IWBQWPDAOMUGDV-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO C[N@@H+]1CCC[C@@H](NCCOc2cccc(Br)c2)CC1 ZINC001254498409 1314212631 /nfs/dbraw/zinc/21/26/31/1314212631.db2.gz ZISJIRIVHZZDFE-CQSZACIVSA-N 1 3 327.266 2.902 20 0 EFADHO C[N@H+]1CCC[C@@H](NCCOc2cccc(Br)c2)CC1 ZINC001254498409 1314212634 /nfs/dbraw/zinc/21/26/34/1314212634.db2.gz ZISJIRIVHZZDFE-CQSZACIVSA-N 1 3 327.266 2.902 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001209670097 1314213715 /nfs/dbraw/zinc/21/37/15/1314213715.db2.gz VVBNPEFHJSFKCW-GLUHHYBVSA-N 1 3 329.488 2.621 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001209690053 1314217715 /nfs/dbraw/zinc/21/77/15/1314217715.db2.gz NYDDCLXEUFQHNO-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045937740 1307938294 /nfs/dbraw/zinc/93/82/94/1307938294.db2.gz JKHREJDJMNXKTI-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045937740 1307938300 /nfs/dbraw/zinc/93/83/00/1307938300.db2.gz JKHREJDJMNXKTI-AZUAARDMSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045938070 1307939311 /nfs/dbraw/zinc/93/93/11/1307939311.db2.gz RGQVPUXAFBPPKU-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045938070 1307939314 /nfs/dbraw/zinc/93/93/14/1307939314.db2.gz RGQVPUXAFBPPKU-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045940698 1307947466 /nfs/dbraw/zinc/94/74/66/1307947466.db2.gz CKLRUHACUXEDBF-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045940698 1307947468 /nfs/dbraw/zinc/94/74/68/1307947468.db2.gz CKLRUHACUXEDBF-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943276 1307956523 /nfs/dbraw/zinc/95/65/23/1307956523.db2.gz HLOBPTDKXQRSPG-TZIWHRDSSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943276 1307956528 /nfs/dbraw/zinc/95/65/28/1307956528.db2.gz HLOBPTDKXQRSPG-TZIWHRDSSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943275 1307956759 /nfs/dbraw/zinc/95/67/59/1307956759.db2.gz HLOBPTDKXQRSPG-PZJWPPBQSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943275 1307956763 /nfs/dbraw/zinc/95/67/63/1307956763.db2.gz HLOBPTDKXQRSPG-PZJWPPBQSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943167 1307957213 /nfs/dbraw/zinc/95/72/13/1307957213.db2.gz GJRUJZIFGVRHTN-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001045943167 1307957216 /nfs/dbraw/zinc/95/72/16/1307957216.db2.gz GJRUJZIFGVRHTN-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)CCC1 ZINC001045944048 1307960330 /nfs/dbraw/zinc/96/03/30/1307960330.db2.gz VTFGGHBUQXKJMJ-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)CCC1 ZINC001045944048 1307960334 /nfs/dbraw/zinc/96/03/34/1307960334.db2.gz VTFGGHBUQXKJMJ-IBGZPJMESA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001045948085 1307971766 /nfs/dbraw/zinc/97/17/66/1307971766.db2.gz UWTWNAXLIWQXHH-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001045948085 1307971769 /nfs/dbraw/zinc/97/17/69/1307971769.db2.gz UWTWNAXLIWQXHH-UYAOXDASSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001008298693 1307972340 /nfs/dbraw/zinc/97/23/40/1307972340.db2.gz KEZCJXZHIYSZNZ-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001008298693 1307972344 /nfs/dbraw/zinc/97/23/44/1307972344.db2.gz KEZCJXZHIYSZNZ-IHPCNDPISA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001008300951 1307974161 /nfs/dbraw/zinc/97/41/61/1307974161.db2.gz WTYGIMONGCVMCT-CMKODMSKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001008300951 1307974164 /nfs/dbraw/zinc/97/41/64/1307974164.db2.gz WTYGIMONGCVMCT-CMKODMSKSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001045967446 1308026269 /nfs/dbraw/zinc/02/62/69/1308026269.db2.gz UWTWNAXLIWQXHH-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001045967446 1308026276 /nfs/dbraw/zinc/02/62/76/1308026276.db2.gz UWTWNAXLIWQXHH-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)OC(=O)N1CCCC12CC[NH+](Cc1cnccc1N)CC2 ZINC001209727971 1314223647 /nfs/dbraw/zinc/22/36/47/1314223647.db2.gz BBWOFABCDQTDNF-UHFFFAOYSA-N 1 3 346.475 2.860 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008397710 1308044428 /nfs/dbraw/zinc/04/44/28/1308044428.db2.gz FEOMXRYDNHNKQX-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001008406534 1308049832 /nfs/dbraw/zinc/04/98/32/1308049832.db2.gz PLPHIDXLJGPJER-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c(C)c1 ZINC001008407955 1308050525 /nfs/dbraw/zinc/05/05/25/1308050525.db2.gz WKRCXTQAMYZHKR-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008412718 1308053548 /nfs/dbraw/zinc/05/35/48/1308053548.db2.gz SOVKRCUTEWJOOF-XLIONFOSSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001008412719 1308053655 /nfs/dbraw/zinc/05/36/55/1308053655.db2.gz SOVKRCUTEWJOOF-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](CC(=O)Nc1ccccc1)NCC1([NH+]2CCCC2)CCOCC1 ZINC001413123591 1308116717 /nfs/dbraw/zinc/11/67/17/1308116717.db2.gz UTXVADBUZNOQEW-KRWDZBQOSA-N 1 3 345.487 2.638 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001008762771 1308272007 /nfs/dbraw/zinc/27/20/07/1308272007.db2.gz XFHFBXUCAMLPQN-HXUWFJFHSA-N 1 3 343.515 2.808 20 0 EFADHO O[C@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCCC1(F)F ZINC001413167983 1308277181 /nfs/dbraw/zinc/27/71/81/1308277181.db2.gz XHXWMDZMAVPHMF-MSOLQXFVSA-N 1 3 338.442 2.832 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)c1 ZINC001009203744 1308430265 /nfs/dbraw/zinc/43/02/65/1308430265.db2.gz SAYMLZRFNADZBX-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(C)c1 ZINC001009203744 1308430269 /nfs/dbraw/zinc/43/02/69/1308430269.db2.gz SAYMLZRFNADZBX-AZUAARDMSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001046317165 1308533361 /nfs/dbraw/zinc/53/33/61/1308533361.db2.gz SOEPMUFREHEDNE-ICSRJNTNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001046317165 1308533366 /nfs/dbraw/zinc/53/33/66/1308533366.db2.gz SOEPMUFREHEDNE-ICSRJNTNSA-N 1 3 333.520 2.940 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3cccc(C)c3)C2)CC[N@@H+]1C ZINC001046330480 1308547635 /nfs/dbraw/zinc/54/76/35/1308547635.db2.gz KVDCMFXPGZAATR-QKNQBKEWSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3cccc(C)c3)C2)CC[N@H+]1C ZINC001046330480 1308547636 /nfs/dbraw/zinc/54/76/36/1308547636.db2.gz KVDCMFXPGZAATR-QKNQBKEWSA-N 1 3 343.515 2.806 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516144 1308555749 /nfs/dbraw/zinc/55/57/49/1308555749.db2.gz MVXVTFHVOSJOJM-MOPGFXCFSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3C3CC3)C2)C1 ZINC001009516144 1308555754 /nfs/dbraw/zinc/55/57/54/1308555754.db2.gz MVXVTFHVOSJOJM-MOPGFXCFSA-N 1 3 341.499 2.596 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624898 1308589164 /nfs/dbraw/zinc/58/91/64/1308589164.db2.gz BMFTZXXMXLDDSR-AEFFLSMTSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009624898 1308589167 /nfs/dbraw/zinc/58/91/67/1308589167.db2.gz BMFTZXXMXLDDSR-AEFFLSMTSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627205 1308589516 /nfs/dbraw/zinc/58/95/16/1308589516.db2.gz KXQAPTDNJXFSPX-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627205 1308589519 /nfs/dbraw/zinc/58/95/19/1308589519.db2.gz KXQAPTDNJXFSPX-WBVHZDCISA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374250 1308596579 /nfs/dbraw/zinc/59/65/79/1308596579.db2.gz FSOPDJTZRVNKDX-FPOVZHCZSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001046374250 1308596583 /nfs/dbraw/zinc/59/65/83/1308596583.db2.gz FSOPDJTZRVNKDX-FPOVZHCZSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001209954811 1314263602 /nfs/dbraw/zinc/26/36/02/1314263602.db2.gz ZDSAMOSIKJFDAN-ROUUACIJSA-N 1 3 341.515 2.970 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1F ZINC001046559006 1308794968 /nfs/dbraw/zinc/79/49/68/1308794968.db2.gz WTPISAAEZNOLQR-AZUAARDMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1F ZINC001046559006 1308794970 /nfs/dbraw/zinc/79/49/70/1308794970.db2.gz WTPISAAEZNOLQR-AZUAARDMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC001046559006 1308794971 /nfs/dbraw/zinc/79/49/71/1308794971.db2.gz WTPISAAEZNOLQR-AZUAARDMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3CCCCN3C)C2)cc1F ZINC001046559006 1308794974 /nfs/dbraw/zinc/79/49/74/1308794974.db2.gz WTPISAAEZNOLQR-AZUAARDMSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1cccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001046570040 1308813184 /nfs/dbraw/zinc/81/31/84/1308813184.db2.gz UUMCUZDNUPJDJV-HFSMHLIXSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001046570040 1308813194 /nfs/dbraw/zinc/81/31/94/1308813194.db2.gz UUMCUZDNUPJDJV-HFSMHLIXSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001019337591 1314280545 /nfs/dbraw/zinc/28/05/45/1314280545.db2.gz QVYGYLKRARALJM-VQTJNVASSA-N 1 3 345.531 2.568 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001019337417 1314281083 /nfs/dbraw/zinc/28/10/83/1314281083.db2.gz ISYRGFDFSOHZFR-YTQUADARSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019338853 1314281240 /nfs/dbraw/zinc/28/12/40/1314281240.db2.gz CNICCZXSBMPSCZ-RBUKOAKNSA-N 1 3 331.504 2.580 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1)N(C)C ZINC001019337743 1314281289 /nfs/dbraw/zinc/28/12/89/1314281289.db2.gz YJGDYXMKACTQKL-OWCLPIDISA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H](C)c2ccccc2F)C1)[NH+](C)C ZINC001019338880 1314281654 /nfs/dbraw/zinc/28/16/54/1314281654.db2.gz DSRBNCCZDUKXLO-RVKKMQEKSA-N 1 3 335.467 2.663 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCCCOC)C1 ZINC001210181845 1314292385 /nfs/dbraw/zinc/29/23/85/1314292385.db2.gz DSOLQXDLWKXJSG-SFHVURJKSA-N 1 3 341.540 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](F)CC)C1 ZINC001210182473 1314292530 /nfs/dbraw/zinc/29/25/30/1314292530.db2.gz HJKYVNMHBCCPQI-IRXDYDNUSA-N 1 3 329.504 2.827 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001210216855 1314296208 /nfs/dbraw/zinc/29/62/08/1314296208.db2.gz AJTFKGHFHILMRD-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2C)C1 ZINC001210217054 1314296343 /nfs/dbraw/zinc/29/63/43/1314296343.db2.gz CIBZXZZLRFJQQN-SFHVURJKSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001210217217 1314296423 /nfs/dbraw/zinc/29/64/23/1314296423.db2.gz FMWCZTAEDQLRLW-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CCc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)CN(CC)CC)C2)cc1 ZINC001210217157 1314296466 /nfs/dbraw/zinc/29/64/66/1314296466.db2.gz DLCGLHFCAMOYLJ-HXUWFJFHSA-N 1 3 345.531 2.714 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001210216906 1314296655 /nfs/dbraw/zinc/29/66/55/1314296655.db2.gz BVKZCXLTCLUHOW-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CN(CC)CC)C1 ZINC001210217265 1314296850 /nfs/dbraw/zinc/29/68/50/1314296850.db2.gz FTDMWSIYWFVANZ-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001210217887 1314296860 /nfs/dbraw/zinc/29/68/60/1314296860.db2.gz NRHIIUGSLZPRLJ-GOSISDBHSA-N 1 3 335.467 2.579 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001210217619 1314296882 /nfs/dbraw/zinc/29/68/82/1314296882.db2.gz KEXANVMFXWNWDS-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001210219738 1314296911 /nfs/dbraw/zinc/29/69/11/1314296911.db2.gz UBNLHLIGPOJOGE-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001210217231 1314296980 /nfs/dbraw/zinc/29/69/80/1314296980.db2.gz FRXNRKNNDJINSD-LJQANCHMSA-N 1 3 349.494 2.681 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001210217363 1314297024 /nfs/dbraw/zinc/29/70/24/1314297024.db2.gz HQOPWZHASOLQMD-QGZVFWFLSA-N 1 3 337.895 2.762 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001210217617 1314297323 /nfs/dbraw/zinc/29/73/23/1314297323.db2.gz KEXANVMFXWNWDS-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001210229800 1314299091 /nfs/dbraw/zinc/29/90/91/1314299091.db2.gz SQLAGWTZUUWHHN-GOSISDBHSA-N 1 3 335.467 2.557 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210228355 1314299167 /nfs/dbraw/zinc/29/91/67/1314299167.db2.gz HXQNQESBTAHCAO-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001210229451 1314299261 /nfs/dbraw/zinc/29/92/61/1314299261.db2.gz OXZRTCAIPXLVNF-HOTGVXAUSA-N 1 3 345.478 2.734 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001019380698 1314302798 /nfs/dbraw/zinc/30/27/98/1314302798.db2.gz JPTDSGJZXQSOQK-XLIONFOSSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001019381281 1314303410 /nfs/dbraw/zinc/30/34/10/1314303410.db2.gz DJIANOFECMEPIY-YJBOKZPZSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001019381691 1314303623 /nfs/dbraw/zinc/30/36/23/1314303623.db2.gz PMJVANDBFOVVDH-LPHOPBHVSA-N 1 3 341.499 2.739 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019383099 1314304667 /nfs/dbraw/zinc/30/46/67/1314304667.db2.gz WDWQJXHLRNIPPV-HOCLYGCPSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001019383099 1314304670 /nfs/dbraw/zinc/30/46/70/1314304670.db2.gz WDWQJXHLRNIPPV-HOCLYGCPSA-N 1 3 349.906 2.681 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC001019382951 1314304703 /nfs/dbraw/zinc/30/47/03/1314304703.db2.gz QIXRHDNODIWDNE-APWZRJJASA-N 1 3 341.499 2.596 20 0 EFADHO Cc1nccn1Cc1ccc(Nc2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC001210269063 1314306148 /nfs/dbraw/zinc/30/61/48/1314306148.db2.gz MITCZCYJKLOGFW-UHFFFAOYSA-N 1 3 348.454 2.788 20 0 EFADHO CCCc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046831697 1309478544 /nfs/dbraw/zinc/47/85/44/1309478544.db2.gz QIFXYNSYZNKJRK-PZJWPPBQSA-N 1 3 343.515 2.671 20 0 EFADHO CCCc1ccc(CN2CC[C@@](C)(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046831697 1309478546 /nfs/dbraw/zinc/47/85/46/1309478546.db2.gz QIFXYNSYZNKJRK-PZJWPPBQSA-N 1 3 343.515 2.671 20 0 EFADHO COCCN(C)Cc1ccnc(-c2cccc(OCC[NH+](C)C)c2)c1 ZINC001243749123 1314319465 /nfs/dbraw/zinc/31/94/65/1314319465.db2.gz QXPDUSBJGHZLJB-UHFFFAOYSA-N 1 3 343.471 2.767 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851593 1309523402 /nfs/dbraw/zinc/52/34/02/1309523402.db2.gz IIPJUQFTRLJIBS-DNVCBOLYSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046851593 1309523410 /nfs/dbraw/zinc/52/34/10/1309523410.db2.gz IIPJUQFTRLJIBS-DNVCBOLYSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052712750 1314319607 /nfs/dbraw/zinc/31/96/07/1314319607.db2.gz OEXOHOVHDJJGHX-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052712750 1314319611 /nfs/dbraw/zinc/31/96/11/1314319611.db2.gz OEXOHOVHDJJGHX-MJGOQNOKSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853265 1309528013 /nfs/dbraw/zinc/52/80/13/1309528013.db2.gz VBPSWLGTUVNIHG-OXJNMPFZSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853265 1309528017 /nfs/dbraw/zinc/52/80/17/1309528017.db2.gz VBPSWLGTUVNIHG-OXJNMPFZSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712761 1314319925 /nfs/dbraw/zinc/31/99/25/1314319925.db2.gz OMILGRZXTOWJHY-PXNSSMCTSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001052712761 1314319927 /nfs/dbraw/zinc/31/99/27/1314319927.db2.gz OMILGRZXTOWJHY-PXNSSMCTSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001052713465 1314319986 /nfs/dbraw/zinc/31/99/86/1314319986.db2.gz XYSSIFLTWSYZIE-CRAIPNDOSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CC[C@@H](C)C3)CC2)cs1 ZINC001052713465 1314319989 /nfs/dbraw/zinc/31/99/89/1314319989.db2.gz XYSSIFLTWSYZIE-CRAIPNDOSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC001052713243 1314320194 /nfs/dbraw/zinc/32/01/94/1314320194.db2.gz UIWSLLSRHROSLB-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC001052713243 1314320197 /nfs/dbraw/zinc/32/01/97/1314320197.db2.gz UIWSLLSRHROSLB-MJGOQNOKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001052713564 1314320383 /nfs/dbraw/zinc/32/03/83/1314320383.db2.gz ZYBVGSJGQJXGFZ-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CN3CCC[C@H]3C)CC2)cc1 ZINC001052713564 1314320386 /nfs/dbraw/zinc/32/03/86/1314320386.db2.gz ZYBVGSJGQJXGFZ-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712039 1314317452 /nfs/dbraw/zinc/31/74/52/1314317452.db2.gz DFFGGDFBMWBKQL-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)CN2CCC[C@H]2C)CC1 ZINC001052712039 1314317455 /nfs/dbraw/zinc/31/74/55/1314317455.db2.gz DFFGGDFBMWBKQL-QUCCMNQESA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712547 1314318258 /nfs/dbraw/zinc/31/82/58/1314318258.db2.gz KGVDDCJMNKUMDY-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CC(C)(C)C3)CC2)C1 ZINC001052712547 1314318260 /nfs/dbraw/zinc/31/82/60/1314318260.db2.gz KGVDDCJMNKUMDY-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCC1(F)F ZINC001046945735 1309736774 /nfs/dbraw/zinc/73/67/74/1309736774.db2.gz QMEGQOFIOIWKKP-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCC1(F)F ZINC001046945735 1309736778 /nfs/dbraw/zinc/73/67/78/1309736778.db2.gz QMEGQOFIOIWKKP-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001210483494 1314340795 /nfs/dbraw/zinc/34/07/95/1314340795.db2.gz ZOLVMEUNXMLBDF-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cc3ccccc3o2)C1 ZINC001210483494 1314340799 /nfs/dbraw/zinc/34/07/99/1314340799.db2.gz ZOLVMEUNXMLBDF-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCc1csc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001276686620 1314350770 /nfs/dbraw/zinc/35/07/70/1314350770.db2.gz FPWBOGGIJQACGM-IYBDPMFKSA-N 1 3 345.516 2.773 20 0 EFADHO CCc1csc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)n1 ZINC001276686620 1314350773 /nfs/dbraw/zinc/35/07/73/1314350773.db2.gz FPWBOGGIJQACGM-IYBDPMFKSA-N 1 3 345.516 2.773 20 0 EFADHO O[C@@H](C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC001413054970 1310015942 /nfs/dbraw/zinc/01/59/42/1310015942.db2.gz KQTALYRNCLPVAY-IXDOHACOSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@@H](C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC001413054970 1310015946 /nfs/dbraw/zinc/01/59/46/1310015946.db2.gz KQTALYRNCLPVAY-IXDOHACOSA-N 1 3 342.405 2.754 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC001019468047 1314354142 /nfs/dbraw/zinc/35/41/42/1314354142.db2.gz FCRQHHODBYGXLP-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC1)C2)N1CCCCC1 ZINC001047074319 1310048323 /nfs/dbraw/zinc/04/83/23/1310048323.db2.gz ZTBQYNOJKXHUKM-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC1)C2)N1CCCCC1 ZINC001047074319 1310048332 /nfs/dbraw/zinc/04/83/32/1310048332.db2.gz ZTBQYNOJKXHUKM-KSZLIROESA-N 1 3 333.520 2.630 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(CCC(F)(F)F)CC2)CC1 ZINC001052766800 1314360288 /nfs/dbraw/zinc/36/02/88/1314360288.db2.gz NJMMTUCEBUUALW-OAHLLOKOSA-N 1 3 349.441 2.641 20 0 EFADHO CC(C)(C)C(=O)Nc1ccc(CN)nc1-c1cccc(OCC[NH3+])c1 ZINC001244320151 1314370850 /nfs/dbraw/zinc/37/08/50/1314370850.db2.gz CQCILDBLYMZLQC-UHFFFAOYSA-N 1 3 342.443 2.529 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCC1)C2 ZINC001047190709 1310279566 /nfs/dbraw/zinc/27/95/66/1310279566.db2.gz WTJORSBCGGPBAF-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCC1)C2 ZINC001047190709 1310279574 /nfs/dbraw/zinc/27/95/74/1310279574.db2.gz WTJORSBCGGPBAF-KSZLIROESA-N 1 3 344.503 2.810 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1)C1CC1 ZINC001047241301 1310391753 /nfs/dbraw/zinc/39/17/53/1310391753.db2.gz ACBRSMLSOZVZKZ-VQTJNVASSA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C2CC[NH+](CC(C)C)CC2)C1)N(C)C ZINC001047242137 1310393124 /nfs/dbraw/zinc/39/31/24/1310393124.db2.gz BTEWZRSMLOATGH-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244489 1310400432 /nfs/dbraw/zinc/40/04/32/1310400432.db2.gz SNRZPVAVVFVEPU-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047245585 1310402740 /nfs/dbraw/zinc/40/27/40/1310402740.db2.gz ZYKCVOCLZMOCCT-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001019558882 1314383700 /nfs/dbraw/zinc/38/37/00/1314383700.db2.gz QIXXAWZEKDYXPI-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001047253915 1310424722 /nfs/dbraw/zinc/42/47/22/1310424722.db2.gz JZURBFBVNUJGIY-SFHVURJKSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C(C)C)N(C)C)C2)CC1 ZINC001047254711 1310426816 /nfs/dbraw/zinc/42/68/16/1310426816.db2.gz QYTRNEGAPPRPIM-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001047257122 1310431806 /nfs/dbraw/zinc/43/18/06/1310431806.db2.gz PBTPBSSFLRCOGN-YLJYHZDGSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)CC1 ZINC001047256771 1310432491 /nfs/dbraw/zinc/43/24/91/1310432491.db2.gz NIPJXYGOSDMIJX-QUCCMNQESA-N 1 3 349.563 2.935 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047257549 1310433264 /nfs/dbraw/zinc/43/32/64/1310433264.db2.gz QKSLMJLIKQKULP-HKUYNNGSSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001210783400 1314387058 /nfs/dbraw/zinc/38/70/58/1314387058.db2.gz SMIBNSWEUAQIEL-JKSUJKDBSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001210782125 1314387092 /nfs/dbraw/zinc/38/70/92/1314387092.db2.gz IZJHBDDJAAWQEW-QAPCUYQASA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001210783380 1314387205 /nfs/dbraw/zinc/38/72/05/1314387205.db2.gz SKCGIMYYJAGLBD-KOTDBNOLSA-N 1 3 329.488 2.622 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC001210788328 1314388397 /nfs/dbraw/zinc/38/83/97/1314388397.db2.gz BBMYEDVHNOETNX-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC001210812426 1314392666 /nfs/dbraw/zinc/39/26/66/1314392666.db2.gz ZYGULOSUZLLKPY-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001210812283 1314392745 /nfs/dbraw/zinc/39/27/45/1314392745.db2.gz WEYFDEVOLIDFJR-HKUYNNGSSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001210812330 1314392899 /nfs/dbraw/zinc/39/28/99/1314392899.db2.gz XSFFUSAYLLPPDO-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H](F)CN1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837267 1314408313 /nfs/dbraw/zinc/40/83/13/1314408313.db2.gz ODHDXSVZJUPUME-ROUUACIJSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCN(C/C=C/Cl)CC2)CC1 ZINC001052837552 1314409211 /nfs/dbraw/zinc/40/92/11/1314409211.db2.gz QVILORABHAIMFY-QVNOTHCHSA-N 1 3 341.927 2.830 20 0 EFADHO CCC/C=C/CCN1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001221669714 1311010353 /nfs/dbraw/zinc/01/03/53/1311010353.db2.gz XGYMPBDBSRDQCH-NYQZOWANSA-N 1 3 345.531 2.894 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711041 1311017762 /nfs/dbraw/zinc/01/77/62/1311017762.db2.gz VPLBXWBRLJZXRK-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)N3CCCC3)[C@@H]2C1 ZINC001221711041 1311017764 /nfs/dbraw/zinc/01/77/64/1311017764.db2.gz VPLBXWBRLJZXRK-QRVBRYPASA-N 1 3 333.520 2.584 20 0 EFADHO CCc1ccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)cc1 ZINC001221777202 1311029895 /nfs/dbraw/zinc/02/98/95/1311029895.db2.gz XGCVLKBXOCRGDM-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CC/C=C/CCN1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221812110 1311036592 /nfs/dbraw/zinc/03/65/92/1311036592.db2.gz ZCXAVDYMESUADD-QLTKYKRFSA-N 1 3 335.536 2.996 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+](CC)CC ZINC001221811935 1311036763 /nfs/dbraw/zinc/03/67/63/1311036763.db2.gz PQRSUBHUYAOCHT-FGTMMUONSA-N 1 3 341.515 2.779 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848225 1311042479 /nfs/dbraw/zinc/04/24/79/1311042479.db2.gz FHAKRPURFNLLLW-IPMKNSEASA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001221848225 1311042481 /nfs/dbraw/zinc/04/24/81/1311042481.db2.gz FHAKRPURFNLLLW-IPMKNSEASA-N 1 3 335.536 2.974 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919391 1311054512 /nfs/dbraw/zinc/05/45/12/1311054512.db2.gz MFKZOGMBWPQBRE-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1CN1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919391 1311054515 /nfs/dbraw/zinc/05/45/15/1311054515.db2.gz MFKZOGMBWPQBRE-WOJBJXKFSA-N 1 3 343.515 2.624 20 0 EFADHO Clc1ccc(CCN2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222085659 1311081807 /nfs/dbraw/zinc/08/18/07/1311081807.db2.gz HBONUZKJRPZDQC-UHFFFAOYSA-N 1 3 328.287 2.563 20 0 EFADHO CC[C@@H](F)CN[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001222086354 1311082047 /nfs/dbraw/zinc/08/20/47/1311082047.db2.gz DYUYAWKCFPYGQZ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO FC(F)(F)Sc1ccc(CN2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222091517 1311083049 /nfs/dbraw/zinc/08/30/49/1311083049.db2.gz VDCDWYVYZBBQAM-UHFFFAOYSA-N 1 3 345.434 2.826 20 0 EFADHO Cc1ccc(C(F)(F)F)c(CN2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222095085 1311084094 /nfs/dbraw/zinc/08/40/94/1311084094.db2.gz OFEFTUMAXVTKRO-UHFFFAOYSA-N 1 3 327.394 2.541 20 0 EFADHO CCCCCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527315 1311100578 /nfs/dbraw/zinc/10/05/78/1311100578.db2.gz DKACPACRLQIZBL-KANFNMMFSA-N 1 3 344.503 2.701 20 0 EFADHO CCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH]cn1 ZINC001099527315 1311100579 /nfs/dbraw/zinc/10/05/79/1311100579.db2.gz DKACPACRLQIZBL-KANFNMMFSA-N 1 3 344.503 2.701 20 0 EFADHO Cc1ccc2c(c1)C1(CN2)CCN(Cc2ccc3n2CC[NH2+]C3)CC1 ZINC001222482230 1311139300 /nfs/dbraw/zinc/13/93/00/1311139300.db2.gz JULHJAUWKIDMMR-UHFFFAOYSA-N 1 3 336.483 2.859 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001490949325 1311142731 /nfs/dbraw/zinc/14/27/31/1311142731.db2.gz GJQXXNOLPFKYCP-WKILWMFISA-N 1 3 329.444 2.511 20 0 EFADHO COc1ccc2c(c1)n[nH]c2CN1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615184 1311161057 /nfs/dbraw/zinc/16/10/57/1311161057.db2.gz MQBIMXOKXYNOBJ-GOSISDBHSA-N 1 3 348.450 2.761 20 0 EFADHO CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2ccn(C)c2c1 ZINC001276846725 1311192965 /nfs/dbraw/zinc/19/29/65/1311192965.db2.gz VCFCZMFFBJKPLU-IHWFROFDSA-N 1 3 340.515 2.825 20 0 EFADHO Nc1ncc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)s1 ZINC001276850153 1311199367 /nfs/dbraw/zinc/19/93/67/1311199367.db2.gz NIKDOTMZWXXYRZ-UHFFFAOYSA-N 1 3 348.438 2.966 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC3CC(C)C3)[C@H]2C1 ZINC001223023766 1311209761 /nfs/dbraw/zinc/20/97/61/1311209761.db2.gz OAGCSXWECUYADQ-HIEASXQVSA-N 1 3 335.536 2.686 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](CC3CC(C)C3)[C@H]2C1 ZINC001223023766 1311209764 /nfs/dbraw/zinc/20/97/64/1311209764.db2.gz OAGCSXWECUYADQ-HIEASXQVSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001223203082 1311230047 /nfs/dbraw/zinc/23/00/47/1311230047.db2.gz QTKYQIOQYYBKAY-KRWDZBQOSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)(C(=O)NCC1CC[NH+](CCC2CC2)CC1)N1CCCCC1 ZINC001223202850 1311230093 /nfs/dbraw/zinc/23/00/93/1311230093.db2.gz ORDVPJPECBGFPK-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO N#Cc1ccc([C@H](O)CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000381183208 1311231255 /nfs/dbraw/zinc/23/12/55/1311231255.db2.gz KXUGBZBWPLDGNR-PZJWPPBQSA-N 1 3 335.451 2.703 20 0 EFADHO N#Cc1ccc([C@H](O)CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000381183208 1311231259 /nfs/dbraw/zinc/23/12/59/1311231259.db2.gz KXUGBZBWPLDGNR-PZJWPPBQSA-N 1 3 335.451 2.703 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047866372 1311239286 /nfs/dbraw/zinc/23/92/86/1311239286.db2.gz BONPLGXDTZEMPU-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047868088 1311240766 /nfs/dbraw/zinc/24/07/66/1311240766.db2.gz MRVLXRYARGHWOF-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869072 1311241152 /nfs/dbraw/zinc/24/11/52/1311241152.db2.gz PFLUFUWQOKNWPG-DOTOQJQBSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001047869784 1311241479 /nfs/dbraw/zinc/24/14/79/1311241479.db2.gz SAQCMUUXWZUTBK-DOTOQJQBSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869135 1311241578 /nfs/dbraw/zinc/24/15/78/1311241578.db2.gz PIXNSGMUXLPSNN-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869140 1311241591 /nfs/dbraw/zinc/24/15/91/1311241591.db2.gz PIXNSGMUXLPSNN-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001047869787 1311241633 /nfs/dbraw/zinc/24/16/33/1311241633.db2.gz SAQCMUUXWZUTBK-NVXWUHKLSA-N 1 3 349.544 2.867 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001047869409 1311241788 /nfs/dbraw/zinc/24/17/88/1311241788.db2.gz QQPAJGIMIBIFHC-HKUYNNGSSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)cc1O ZINC001276880077 1311241942 /nfs/dbraw/zinc/24/19/42/1311241942.db2.gz PDFWXJUGTSQSLV-UXHICEINSA-N 1 3 331.504 2.787 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047870133 1311242329 /nfs/dbraw/zinc/24/23/29/1311242329.db2.gz UGCZPTFSHHXVSQ-HOCLYGCPSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047871897 1311244496 /nfs/dbraw/zinc/24/44/96/1311244496.db2.gz ZXKUBYULUIXTJM-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[NH+](C)CCC(=O)N1CC[C@H]2CCN(C/C=C/c3ccccc3)[C@H]2C1 ZINC001223430549 1311259784 /nfs/dbraw/zinc/25/97/84/1311259784.db2.gz MPAQTPOFCVNIBD-XXGTVTCJSA-N 1 3 341.499 2.574 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001223465569 1311263957 /nfs/dbraw/zinc/26/39/57/1311263957.db2.gz JCNWEMHKUFZQBN-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CC1CCC(C[NH+]2CCC(CNC(=O)[C@@H](C3CC3)N(C)C)CC2)CC1 ZINC001223466375 1311264173 /nfs/dbraw/zinc/26/41/73/1311264173.db2.gz RIKNCYMWGSXRSA-OUNSHVDWSA-N 1 3 349.563 2.981 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CCCC2CCC2)CC1)C1CC1 ZINC001223471542 1311264500 /nfs/dbraw/zinc/26/45/00/1311264500.db2.gz AGQUIJIVPSLTES-LJQANCHMSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223471910 1311264826 /nfs/dbraw/zinc/26/48/26/1311264826.db2.gz HCYWTABUVRFBDH-QFBILLFUSA-N 1 3 337.552 2.837 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](Cc3ccsc3)CC2)CCC1 ZINC001223472954 1311265009 /nfs/dbraw/zinc/26/50/09/1311265009.db2.gz YMPVHHOSAHKTFP-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](CCC2CCCC2)CC1)N(C)C ZINC001223533523 1311272926 /nfs/dbraw/zinc/27/29/26/1311272926.db2.gz KJNDYGUKTGRPAE-IBGZPJMESA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1)N(C)C ZINC001223597210 1311279939 /nfs/dbraw/zinc/27/99/39/1311279939.db2.gz KRQWVNXSVCVZNI-NKELODKYSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001223597877 1311280191 /nfs/dbraw/zinc/28/01/91/1311280191.db2.gz PWQRUABDUFOGDQ-GOSISDBHSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430219 1311309391 /nfs/dbraw/zinc/30/93/91/1311309391.db2.gz JHFQYHQSYJRHHL-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C)N1CCCCCC1 ZINC001102430219 1311309393 /nfs/dbraw/zinc/30/93/93/1311309393.db2.gz JHFQYHQSYJRHHL-ZIFCJYIRSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ccc2F)C[C@H]1C ZINC001102524960 1311315559 /nfs/dbraw/zinc/31/55/59/1311315559.db2.gz FNXADFKPBRIIKP-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ccc2F)C[C@H]1C ZINC001102524960 1311315563 /nfs/dbraw/zinc/31/55/63/1311315563.db2.gz FNXADFKPBRIIKP-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(CC)c2)C[C@H]1C ZINC001102525026 1311316162 /nfs/dbraw/zinc/31/61/62/1311316162.db2.gz IMWFKZIIVFPKRZ-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(CC)c2)C[C@H]1C ZINC001102525026 1311316166 /nfs/dbraw/zinc/31/61/66/1311316166.db2.gz IMWFKZIIVFPKRZ-YLJYHZDGSA-N 1 3 345.531 2.775 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269081 1311346695 /nfs/dbraw/zinc/34/66/95/1311346695.db2.gz FJDOHWBETVCHCV-QYZOEREBSA-N 1 3 333.520 2.795 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047981231 1311348614 /nfs/dbraw/zinc/34/86/14/1311348614.db2.gz BIEQELDTUJEYLU-IAGOWNOFSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047985988 1311351857 /nfs/dbraw/zinc/35/18/57/1311351857.db2.gz AQHYYAWUQGZFPE-DZGCQCFKSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047987548 1311353092 /nfs/dbraw/zinc/35/30/92/1311353092.db2.gz HZYHBTBGSSTYJU-HIFRSBDPSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001047987552 1311353118 /nfs/dbraw/zinc/35/31/18/1311353118.db2.gz HZYHBTBGSSTYJU-ZFWWWQNUSA-N 1 3 346.862 2.632 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001047991183 1311356452 /nfs/dbraw/zinc/35/64/52/1311356452.db2.gz ZNTHKQJEOFWGII-QAPCUYQASA-N 1 3 340.471 2.541 20 0 EFADHO COc1cn(CN2CCC(C[NH+]3CCCCCC3)CC2)c(C)cc1=O ZINC000902055931 1311364475 /nfs/dbraw/zinc/36/44/75/1311364475.db2.gz DGTHIUPMPUSFQN-UHFFFAOYSA-N 1 3 347.503 2.711 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048008904 1311367112 /nfs/dbraw/zinc/36/71/12/1311367112.db2.gz RGXCEHFTEPWLNC-MJGOQNOKSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(CN2CCC(CNC(=O)CCC[NH+](C)C)CC2)cc1F ZINC001224269711 1311368446 /nfs/dbraw/zinc/36/84/46/1311368446.db2.gz ZHRWPJJXEFMMIV-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO C[C@H](c1ccc(F)cc1)N1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346060 1311378620 /nfs/dbraw/zinc/37/86/20/1311378620.db2.gz BCDMZEMVXIZCRF-OAHLLOKOSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001224538523 1311404973 /nfs/dbraw/zinc/40/49/73/1311404973.db2.gz XXOFWKSYUICNLK-KRWDZBQOSA-N 1 3 347.547 2.879 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@H]2C)CC1 ZINC001224536687 1311404997 /nfs/dbraw/zinc/40/49/97/1311404997.db2.gz NIEJJZFWSCXJNK-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001224536699 1311405090 /nfs/dbraw/zinc/40/50/90/1311405090.db2.gz NSFKRMTWSAREPM-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3CC(C)(C)C3)CC2)C1 ZINC001224560418 1311407316 /nfs/dbraw/zinc/40/73/16/1311407316.db2.gz SYKJMVFICMCWCW-INIZCTEOSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001224559850 1311407627 /nfs/dbraw/zinc/40/76/27/1311407627.db2.gz PQRYIJCODZXJOO-KRWDZBQOSA-N 1 3 347.547 2.737 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001224575692 1311409843 /nfs/dbraw/zinc/40/98/43/1311409843.db2.gz CHTDJXUOSJMUFO-UHFFFAOYSA-N 1 3 325.541 2.839 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](Cc2cc(F)ccc2C)CC1)N(C)C ZINC001224583426 1311410847 /nfs/dbraw/zinc/41/08/47/1311410847.db2.gz SZFQQVKRSHQKJC-IBGZPJMESA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](C[C@H](C)CC(C)C)CC1)N(C)C ZINC001224582789 1311410955 /nfs/dbraw/zinc/41/09/55/1311410955.db2.gz AUIGPNGLWCCWLJ-AEFFLSMTSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1)N(C)C ZINC001224583732 1311410999 /nfs/dbraw/zinc/41/09/99/1311410999.db2.gz ZWJBGOGMYUJXIR-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001158922916 1311418198 /nfs/dbraw/zinc/41/81/98/1311418198.db2.gz MUNMORPJLLPHPA-LJQANCHMSA-N 1 3 331.504 2.840 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccccc1 ZINC001158922916 1311418202 /nfs/dbraw/zinc/41/82/02/1311418202.db2.gz MUNMORPJLLPHPA-LJQANCHMSA-N 1 3 331.504 2.840 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059142 1311418668 /nfs/dbraw/zinc/41/86/68/1311418668.db2.gz PDUWIOXHQGMCFR-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048059141 1311418979 /nfs/dbraw/zinc/41/89/79/1311418979.db2.gz PDUWIOXHQGMCFR-DOTOQJQBSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048062103 1311420434 /nfs/dbraw/zinc/42/04/34/1311420434.db2.gz BUJKHDZOWAVFJS-RTBURBONSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1 ZINC001048062147 1311420549 /nfs/dbraw/zinc/42/05/49/1311420549.db2.gz COQOHWFCIQVBDE-YLJYHZDGSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068222 1311427192 /nfs/dbraw/zinc/42/71/92/1311427192.db2.gz DVRQNDKGNBPPCX-WMZOPIPTSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068215 1311427309 /nfs/dbraw/zinc/42/73/09/1311427309.db2.gz DVRQNDKGNBPPCX-FUHWJXTLSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001224738751 1311429123 /nfs/dbraw/zinc/42/91/23/1311429123.db2.gz CYQZEOBIFLYXAE-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H](C(=O)NCC1CC[NH+](CCC2CC2)CC1)N1CCCCCC1 ZINC001224739752 1311429649 /nfs/dbraw/zinc/42/96/49/1311429649.db2.gz PVABHFAXHMZSDS-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001224911957 1311449935 /nfs/dbraw/zinc/44/99/35/1311449935.db2.gz YRNVINSKCGBFFD-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001159155751 1311463072 /nfs/dbraw/zinc/46/30/72/1311463072.db2.gz TZXRNLHCYIQMJI-KRWDZBQOSA-N 1 3 349.450 2.709 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001225244653 1311494161 /nfs/dbraw/zinc/49/41/61/1311494161.db2.gz KSOVMUBHYTVROA-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC001225251321 1311494899 /nfs/dbraw/zinc/49/48/99/1311494899.db2.gz CBIDSJIKSMTQMI-FQEVSTJZSA-N 1 3 343.515 2.844 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](Cc2csc(C)c2)CC1 ZINC001225252140 1311495632 /nfs/dbraw/zinc/49/56/32/1311495632.db2.gz MXQICQXHYPYFIT-UHFFFAOYSA-N 1 3 337.533 2.727 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)c(C)c1 ZINC001014398516 1311496602 /nfs/dbraw/zinc/49/66/02/1311496602.db2.gz PCXVTXHRKJRQSG-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c(C)c1 ZINC001014398516 1311496605 /nfs/dbraw/zinc/49/66/05/1311496605.db2.gz PCXVTXHRKJRQSG-VQTJNVASSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014401993 1311498523 /nfs/dbraw/zinc/49/85/23/1311498523.db2.gz VHVQEBUCGFEOKY-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014401993 1311498524 /nfs/dbraw/zinc/49/85/24/1311498524.db2.gz VHVQEBUCGFEOKY-RTBURBONSA-N 1 3 333.520 2.940 20 0 EFADHO CCC/C=C/CC[NH+]1CCC(CNC(=O)Cc2nc[nH]c2C)CC1 ZINC001225278326 1311499193 /nfs/dbraw/zinc/49/91/93/1311499193.db2.gz PMHITMFPWNMJIM-AATRIKPKSA-N 1 3 332.492 2.835 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001225284587 1311501154 /nfs/dbraw/zinc/50/11/54/1311501154.db2.gz GACYKXQUWXLETC-INIZCTEOSA-N 1 3 340.471 2.850 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014416243 1311505261 /nfs/dbraw/zinc/50/52/61/1311505261.db2.gz ZASUNGNCUOEZHW-ROUUACIJSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014416243 1311505265 /nfs/dbraw/zinc/50/52/65/1311505265.db2.gz ZASUNGNCUOEZHW-ROUUACIJSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCc2cccs2)C1)N1CCCCC1 ZINC001014447793 1311520265 /nfs/dbraw/zinc/52/02/65/1311520265.db2.gz QALLLXLKFHIABY-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCc2cccs2)C1)N1CCCCC1 ZINC001014447793 1311520270 /nfs/dbraw/zinc/52/02/70/1311520270.db2.gz QALLLXLKFHIABY-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001225464919 1311527463 /nfs/dbraw/zinc/52/74/63/1311527463.db2.gz QYDKZYTZGRTPNT-SFHVURJKSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@@H+]1C ZINC001014484201 1311538707 /nfs/dbraw/zinc/53/87/07/1311538707.db2.gz QGIOJZDJKRGDNO-ATZDWAIDSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)CC[N@H+]1C ZINC001014484201 1311538710 /nfs/dbraw/zinc/53/87/10/1311538710.db2.gz QGIOJZDJKRGDNO-ATZDWAIDSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1CC[NH+](CC2CCCC2)CC1 ZINC001225542034 1311540036 /nfs/dbraw/zinc/54/00/36/1311540036.db2.gz GLPRRWINKLPSEA-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001225582143 1311548105 /nfs/dbraw/zinc/54/81/05/1311548105.db2.gz FFSPCZJECVAYGX-UHFFFAOYSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)cc(C)c3)C2)CC[N@@H+]1C ZINC001014488945 1311541164 /nfs/dbraw/zinc/54/11/64/1311541164.db2.gz ABIWTZDEGAATFY-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(Cc3cc(C)cc(C)c3)C2)CC[N@H+]1C ZINC001014488945 1311541166 /nfs/dbraw/zinc/54/11/66/1311541166.db2.gz ABIWTZDEGAATFY-HSALFYBXSA-N 1 3 343.515 2.724 20 0 EFADHO C[NH+]1CCC(NC(=O)[C@H]2CC23CCN(Cc2ccsc2)CC3)CC1 ZINC001277054890 1311543491 /nfs/dbraw/zinc/54/34/91/1311543491.db2.gz NKYHMFICGRGMQT-QGZVFWFLSA-N 1 3 347.528 2.561 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001159581241 1311545269 /nfs/dbraw/zinc/54/52/69/1311545269.db2.gz KUAXPNRLNVDJPJ-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001159581241 1311545270 /nfs/dbraw/zinc/54/52/70/1311545270.db2.gz KUAXPNRLNVDJPJ-IBGZPJMESA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)N(C)CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001225582778 1311548218 /nfs/dbraw/zinc/54/82/18/1311548218.db2.gz UEOBQCKSTQRDDQ-KRWDZBQOSA-N 1 3 331.504 2.916 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1 ZINC001014510098 1311551209 /nfs/dbraw/zinc/55/12/09/1311551209.db2.gz VKNLYEHTSXIAPQ-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC001014510098 1311551213 /nfs/dbraw/zinc/55/12/13/1311551213.db2.gz VKNLYEHTSXIAPQ-SLFFLAALSA-N 1 3 343.515 2.670 20 0 EFADHO CCC/C=C\CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627900 1311554859 /nfs/dbraw/zinc/55/48/59/1311554859.db2.gz BNLAQGNFFMRXPB-VOFKWLDRSA-N 1 3 333.520 2.965 20 0 EFADHO CCC/C=C\CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159627900 1311554863 /nfs/dbraw/zinc/55/48/63/1311554863.db2.gz BNLAQGNFFMRXPB-VOFKWLDRSA-N 1 3 333.520 2.965 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001159628455 1311555396 /nfs/dbraw/zinc/55/53/96/1311555396.db2.gz JRZAZSZNAQOWJR-LJQANCHMSA-N 1 3 345.531 2.799 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001159628455 1311555397 /nfs/dbraw/zinc/55/53/97/1311555397.db2.gz JRZAZSZNAQOWJR-LJQANCHMSA-N 1 3 345.531 2.799 20 0 EFADHO Cc1cccc(C[N@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)c1 ZINC001159628936 1311555687 /nfs/dbraw/zinc/55/56/87/1311555687.db2.gz RGUUASQNDAHWON-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO Cc1cccc(C[N@@H+]2CC=C(CCNC(=O)[C@H]3CCCN3C)CC2)c1 ZINC001159628936 1311555689 /nfs/dbraw/zinc/55/56/89/1311555689.db2.gz RGUUASQNDAHWON-HXUWFJFHSA-N 1 3 341.499 2.728 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001159628918 1311555925 /nfs/dbraw/zinc/55/59/25/1311555925.db2.gz QUPYBMZWUCNVJT-GOSISDBHSA-N 1 3 333.520 2.655 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001159628918 1311555927 /nfs/dbraw/zinc/55/59/27/1311555927.db2.gz QUPYBMZWUCNVJT-GOSISDBHSA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309070 1311579551 /nfs/dbraw/zinc/57/95/51/1311579551.db2.gz KABKCECLLDNWCV-AABGKKOBSA-N 1 3 345.531 2.796 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cc(F)ccc2Cl)CCC1 ZINC001159854995 1311597454 /nfs/dbraw/zinc/59/74/54/1311597454.db2.gz ZFBBKNMWXLUSDP-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1 ZINC001159861059 1311598470 /nfs/dbraw/zinc/59/84/70/1311598470.db2.gz KFRWCUBUMVQKTJ-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO CC[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1 ZINC001159861412 1311598948 /nfs/dbraw/zinc/59/89/48/1311598948.db2.gz OWACYVAALFJWGZ-KRWDZBQOSA-N 1 3 335.467 2.857 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(F)cc1F ZINC001159862128 1311599548 /nfs/dbraw/zinc/59/95/48/1311599548.db2.gz VYLLBGJKJLWFSE-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21)C1CC1 ZINC001159923010 1311609180 /nfs/dbraw/zinc/60/91/80/1311609180.db2.gz BYVZRIKZWXKLAN-ZWKOTPCHSA-N 1 3 349.906 2.763 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001159931459 1311611620 /nfs/dbraw/zinc/61/16/20/1311611620.db2.gz CXNXFMMMLBYXTC-RTBURBONSA-N 1 3 329.488 2.500 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccc2ccccc2c1)C1CC1 ZINC001159931819 1311611648 /nfs/dbraw/zinc/61/16/48/1311611648.db2.gz JKCJPSCNVARLAI-FQEVSTJZSA-N 1 3 339.483 2.776 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC/C=C\c1ccccc1)C1CC1 ZINC001159931507 1311611656 /nfs/dbraw/zinc/61/16/56/1311611656.db2.gz FCBGUVOIGSMEGO-PVABEOQZSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C ZINC001159931231 1311611822 /nfs/dbraw/zinc/61/18/22/1311611822.db2.gz BGRYIRVGRSNXQX-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001159932596 1311611921 /nfs/dbraw/zinc/61/19/21/1311611921.db2.gz SGSMVFGNVCSMNU-LJQANCHMSA-N 1 3 329.488 2.500 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(F)cc1Cl)C1CCC1 ZINC001159997506 1311626765 /nfs/dbraw/zinc/62/67/65/1311626765.db2.gz PFLXDITXZFZOFF-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(F)c1Cl)C1CCC1 ZINC001159997113 1311626814 /nfs/dbraw/zinc/62/68/14/1311626814.db2.gz GRWUDWQDBIHKGQ-UHFFFAOYSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)c1ccc(F)c(F)c1 ZINC001160003610 1311627337 /nfs/dbraw/zinc/62/73/37/1311627337.db2.gz XAWGZORVWLGKFK-CYBMUJFWSA-N 1 3 339.430 2.606 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048275069 1311628346 /nfs/dbraw/zinc/62/83/46/1311628346.db2.gz CBRIGCBBKYPOQI-DOTOQJQBSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048282310 1311634929 /nfs/dbraw/zinc/63/49/29/1311634929.db2.gz ZKKRVSNVTCKVIP-AEFFLSMTSA-N 1 3 333.520 2.655 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014632039 1311635516 /nfs/dbraw/zinc/63/55/16/1311635516.db2.gz QHIJUPHNFXUKKQ-ROUUACIJSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001014632039 1311635519 /nfs/dbraw/zinc/63/55/19/1311635519.db2.gz QHIJUPHNFXUKKQ-ROUUACIJSA-N 1 3 349.544 2.746 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001014633738 1311636158 /nfs/dbraw/zinc/63/61/58/1311636158.db2.gz SUJUPIMVKZWSQZ-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2C)C1 ZINC001014633738 1311636163 /nfs/dbraw/zinc/63/61/63/1311636163.db2.gz SUJUPIMVKZWSQZ-MOPGFXCFSA-N 1 3 329.488 2.560 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001014635862 1311637291 /nfs/dbraw/zinc/63/72/91/1311637291.db2.gz XOGPOFSAYJLWKB-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001014635862 1311637295 /nfs/dbraw/zinc/63/72/95/1311637295.db2.gz XOGPOFSAYJLWKB-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635862 1311637298 /nfs/dbraw/zinc/63/72/98/1311637298.db2.gz XOGPOFSAYJLWKB-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001014635862 1311637302 /nfs/dbraw/zinc/63/73/02/1311637302.db2.gz XOGPOFSAYJLWKB-WOJBJXKFSA-N 1 3 343.515 2.868 20 0 EFADHO CC(C)(C(=O)NCCC1=CC[N@H+](CC2CC2)CC1)N1CCCCC1 ZINC001160125357 1311648502 /nfs/dbraw/zinc/64/85/02/1311648502.db2.gz AHUTVZQEUULCRL-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)(C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1)N1CCCCC1 ZINC001160125357 1311648505 /nfs/dbraw/zinc/64/85/05/1311648505.db2.gz AHUTVZQEUULCRL-UHFFFAOYSA-N 1 3 333.520 2.799 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000902347437 1311658909 /nfs/dbraw/zinc/65/89/09/1311658909.db2.gz UMJJUHFRCASUHE-OALUTQOASA-N 1 3 343.515 2.588 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)c1 ZINC001014699592 1311672163 /nfs/dbraw/zinc/67/21/63/1311672163.db2.gz DEESUCJNGCXYEC-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)c1 ZINC001014699592 1311672166 /nfs/dbraw/zinc/67/21/66/1311672166.db2.gz DEESUCJNGCXYEC-VQTJNVASSA-N 1 3 343.515 2.663 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706881 1311676910 /nfs/dbraw/zinc/67/69/10/1311676910.db2.gz SUQPHZUBZUIEMP-OALUTQOASA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001014706881 1311676913 /nfs/dbraw/zinc/67/69/13/1311676913.db2.gz SUQPHZUBZUIEMP-OALUTQOASA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001014722912 1311688805 /nfs/dbraw/zinc/68/88/05/1311688805.db2.gz NIGMECLOLVMAPK-IAGOWNOFSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCN(CCc2cccs2)C1 ZINC001014722912 1311688807 /nfs/dbraw/zinc/68/88/07/1311688807.db2.gz NIGMECLOLVMAPK-IAGOWNOFSA-N 1 3 349.544 2.744 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)C1CC1 ZINC001160353376 1311695840 /nfs/dbraw/zinc/69/58/40/1311695840.db2.gz SUUFYYGVMAYLFM-HXUWFJFHSA-N 1 3 341.499 2.665 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)C1CC1 ZINC001160353376 1311695843 /nfs/dbraw/zinc/69/58/43/1311695843.db2.gz SUUFYYGVMAYLFM-HXUWFJFHSA-N 1 3 341.499 2.665 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC000902385391 1311696069 /nfs/dbraw/zinc/69/60/69/1311696069.db2.gz TYRWDLKJWUDOCS-ZIAGYGMSSA-N 1 3 349.441 2.688 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226614811 1311696790 /nfs/dbraw/zinc/69/67/90/1311696790.db2.gz SWUATUSFIIPIIZ-PCXNWDQESA-N 1 3 327.900 2.630 20 0 EFADHO CC(C)CCC[N@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360615 1311697084 /nfs/dbraw/zinc/69/70/84/1311697084.db2.gz SKZCYLRTNPHLCT-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001160360615 1311697087 /nfs/dbraw/zinc/69/70/87/1311697087.db2.gz SKZCYLRTNPHLCT-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001160420588 1311706686 /nfs/dbraw/zinc/70/66/86/1311706686.db2.gz IKNSGFUMSUVDJB-INIZCTEOSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)N(C)C ZINC001160426405 1311707389 /nfs/dbraw/zinc/70/73/89/1311707389.db2.gz FGODRZSJKSRWEJ-IBGZPJMESA-N 1 3 331.504 2.746 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)c1ccc(F)cc1F)N(C)C ZINC001160433167 1311708442 /nfs/dbraw/zinc/70/84/42/1311708442.db2.gz IXLRNYXQXQMYHV-DYVFJYSZSA-N 1 3 341.446 2.708 20 0 EFADHO Cc1cc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c(C)s1 ZINC001160432739 1311708755 /nfs/dbraw/zinc/70/87/55/1311708755.db2.gz CAYOEMNJWVNDEL-INIZCTEOSA-N 1 3 325.522 2.547 20 0 EFADHO C[NH2+]CC1CCN(C(=O)C[C@@H](N)c2ccc(C(F)(F)F)cc2)CC1 ZINC001160459969 1311714424 /nfs/dbraw/zinc/71/44/24/1311714424.db2.gz UQNRRONUKDEYJQ-OAHLLOKOSA-N 1 3 343.393 2.553 20 0 EFADHO Cc1cccc(CN2CCO[C@@H](CN[C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1 ZINC000902406685 1311717662 /nfs/dbraw/zinc/71/76/62/1311717662.db2.gz QIWVMTHEBWGVSM-UXHICEINSA-N 1 3 345.531 2.564 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@H+](Cc2ccccc2C)CC1)N(C)C ZINC001160472908 1311718206 /nfs/dbraw/zinc/71/82/06/1311718206.db2.gz CWRMUWBETKZVNV-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO CC[C@H](C(=O)NCCC1=CC[N@@H+](Cc2ccccc2C)CC1)N(C)C ZINC001160472908 1311718208 /nfs/dbraw/zinc/71/82/08/1311718208.db2.gz CWRMUWBETKZVNV-HXUWFJFHSA-N 1 3 343.515 2.974 20 0 EFADHO [NH3+]C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001160515392 1311724844 /nfs/dbraw/zinc/72/48/44/1311724844.db2.gz DZVZDEGQUYYNFI-HNNXBMFYSA-N 1 3 335.879 2.502 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCCC1)C1CC1 ZINC001226800464 1311725297 /nfs/dbraw/zinc/72/52/97/1311725297.db2.gz LCVRXAXLNJNEQX-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)C1CC1 ZINC001226801169 1311725381 /nfs/dbraw/zinc/72/53/81/1311725381.db2.gz UFZWPTOPHVHDNX-QRVBRYPASA-N 1 3 333.520 2.844 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001160519028 1311726648 /nfs/dbraw/zinc/72/66/48/1311726648.db2.gz VKFBTJFGLMCHEH-OAHLLOKOSA-N 1 3 327.488 2.603 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001160519028 1311726649 /nfs/dbraw/zinc/72/66/49/1311726649.db2.gz VKFBTJFGLMCHEH-OAHLLOKOSA-N 1 3 327.488 2.603 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C2CCC2)c1 ZINC001226824897 1311728947 /nfs/dbraw/zinc/72/89/47/1311728947.db2.gz RBJAEXCRHKBQNL-WOJBJXKFSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048389101 1311733843 /nfs/dbraw/zinc/73/38/43/1311733843.db2.gz ZCYUCVIZQGYIDW-FUHWJXTLSA-N 1 3 349.563 2.839 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048389096 1311734176 /nfs/dbraw/zinc/73/41/76/1311734176.db2.gz ZCYUCVIZQGYIDW-AEFFLSMTSA-N 1 3 349.563 2.839 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)s1 ZINC001048395882 1311738872 /nfs/dbraw/zinc/73/88/72/1311738872.db2.gz FQPAGIIKCHDEGM-BLLLJJGKSA-N 1 3 346.500 2.515 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c(C)s1 ZINC001048395885 1311739105 /nfs/dbraw/zinc/73/91/05/1311739105.db2.gz FQPAGIIKCHDEGM-MLGOLLRUSA-N 1 3 346.500 2.515 20 0 EFADHO CCOc1cc(C)ccc1CN1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277166649 1311741931 /nfs/dbraw/zinc/74/19/31/1311741931.db2.gz RFQCAPJZKMNDTI-UHFFFAOYSA-N 1 3 345.531 2.853 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001048419040 1311755642 /nfs/dbraw/zinc/75/56/42/1311755642.db2.gz XVLWALFJUOLQQJ-QUCCMNQESA-N 1 3 347.547 2.903 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C)N(C)C ZINC001227057553 1311756251 /nfs/dbraw/zinc/75/62/51/1311756251.db2.gz VANZMJUORPPHMI-GUDVDZBRSA-N 1 3 331.504 2.852 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)N(C)C ZINC001227056698 1311756329 /nfs/dbraw/zinc/75/63/29/1311756329.db2.gz IXBPUSTTYGFNPH-KZNAEPCWSA-N 1 3 335.467 2.683 20 0 EFADHO CN(C)C(=O)C1=CC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277183516 1311766695 /nfs/dbraw/zinc/76/66/95/1311766695.db2.gz PHUNBVLYTJVIKR-UHFFFAOYSA-N 1 3 333.520 2.753 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000902472942 1311771200 /nfs/dbraw/zinc/77/12/00/1311771200.db2.gz MBOYIPBSUCCJKV-LJQANCHMSA-N 1 3 325.456 2.585 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000902472942 1311771204 /nfs/dbraw/zinc/77/12/04/1311771204.db2.gz MBOYIPBSUCCJKV-LJQANCHMSA-N 1 3 325.456 2.585 20 0 EFADHO CN(C)C(=O)[C@@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277184172 1311776256 /nfs/dbraw/zinc/77/62/56/1311776256.db2.gz VGCSSIPPCXFPIN-GOSISDBHSA-N 1 3 335.536 2.833 20 0 EFADHO CN(C)C(=O)[C@H]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001277184174 1311776318 /nfs/dbraw/zinc/77/63/18/1311776318.db2.gz VGCSSIPPCXFPIN-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000902478965 1311778058 /nfs/dbraw/zinc/77/80/58/1311778058.db2.gz ZGCFVRHOTNPUGL-FQEVSTJZSA-N 1 3 339.483 2.975 20 0 EFADHO CNc1ccccc1CNCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000902478965 1311778062 /nfs/dbraw/zinc/77/80/62/1311778062.db2.gz ZGCFVRHOTNPUGL-FQEVSTJZSA-N 1 3 339.483 2.975 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227308085 1311792354 /nfs/dbraw/zinc/79/23/54/1311792354.db2.gz PIWQQWGZUZVPEY-QGZVFWFLSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001160882965 1311802825 /nfs/dbraw/zinc/80/28/25/1311802825.db2.gz CLHLWNMEIZVDTH-XJKSGUPXSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]CC/C=C/c1cccc(OC)c1)N(C)C ZINC001160889502 1311803997 /nfs/dbraw/zinc/80/39/97/1311803997.db2.gz LHEKSKJIUQCYGR-ZAOIQFLMSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@@H]1CC[NH2+]C[C@H]1C(=O)N(C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001160957374 1311821523 /nfs/dbraw/zinc/82/15/23/1311821523.db2.gz RFWHWMFJNMZQSJ-BWPNAZKDSA-N 1 3 343.515 2.601 20 0 EFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCCOC1CCSCC1 ZINC000902522805 1311832278 /nfs/dbraw/zinc/83/22/78/1311832278.db2.gz YKLWRIYNXGMXIV-HKUYNNGSSA-N 1 3 348.512 2.744 20 0 EFADHO Nc1cccc(CCCNc2cccc(N3CCC([NH3+])CC3)n2)c1 ZINC001161009010 1311835820 /nfs/dbraw/zinc/83/58/20/1311835820.db2.gz GCOUZAGMWSRFLL-UHFFFAOYSA-N 1 3 325.460 2.636 20 0 EFADHO CC[NH+](CC)CCOc1cccc(N[C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000902529752 1311840128 /nfs/dbraw/zinc/84/01/28/1311840128.db2.gz YODQXLPJQBLRFH-VQTJNVASSA-N 1 3 347.503 2.586 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161051401 1311847021 /nfs/dbraw/zinc/84/70/21/1311847021.db2.gz VCGHWUMFLTVRTO-GUDVDZBRSA-N 1 3 329.488 2.811 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@H](c3ccccc3)N2)C1 ZINC001161051401 1311847025 /nfs/dbraw/zinc/84/70/25/1311847025.db2.gz VCGHWUMFLTVRTO-GUDVDZBRSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227798444 1311858143 /nfs/dbraw/zinc/85/81/43/1311858143.db2.gz YVWTXDANCSLVTI-IFXJQAMLSA-N 1 3 347.478 2.808 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](CCCc3ccsc3)CC2)CCC1 ZINC001227806591 1311858933 /nfs/dbraw/zinc/85/89/33/1311858933.db2.gz GBHHELMMGKOEMF-UHFFFAOYSA-N 1 3 349.544 2.746 20 0 EFADHO CN(C)C1(C(=O)NC2CC[NH+](CCC3=CCCCC3)CC2)CCC1 ZINC001227807258 1311859055 /nfs/dbraw/zinc/85/90/55/1311859055.db2.gz PSXUXQYTRULUCM-UHFFFAOYSA-N 1 3 333.520 2.942 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)C3(N(C)C)CCC3)CC2)c1 ZINC001227807006 1311859208 /nfs/dbraw/zinc/85/92/08/1311859208.db2.gz KDKTVUWRXVUHAT-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCc2ccsc2)CC1)C1CC1 ZINC001227818287 1311860583 /nfs/dbraw/zinc/86/05/83/1311860583.db2.gz TTZHMYXJXWWQHS-GOSISDBHSA-N 1 3 349.544 2.602 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001227817082 1311860943 /nfs/dbraw/zinc/86/09/43/1311860943.db2.gz JLFNCQNAGLDGHY-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO C[NH+](C)[C@H](C(=O)NC1CCN(C/C=C/c2ccccc2)CC1)C1CC1 ZINC001227818081 1311860956 /nfs/dbraw/zinc/86/09/56/1311860956.db2.gz QJUXMLLUPZWNEK-ZGBFETHSSA-N 1 3 341.499 2.621 20 0 EFADHO Oc1ccc(CN2CCC(Nc3ccc4c(n3)CC[NH2+]C4)CC2)cc1 ZINC001161131027 1311866463 /nfs/dbraw/zinc/86/64/63/1311866463.db2.gz OZSOFXKKBAXZLD-UHFFFAOYSA-N 1 3 338.455 2.509 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@H+](CCCCCF)CC1)N(C)C ZINC001161133374 1311866872 /nfs/dbraw/zinc/86/68/72/1311866872.db2.gz GWSUONJYYJMFJC-GOSISDBHSA-N 1 3 341.515 2.851 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CC[N@@H+](CCCCCF)CC1)N(C)C ZINC001161133374 1311866875 /nfs/dbraw/zinc/86/68/75/1311866875.db2.gz GWSUONJYYJMFJC-GOSISDBHSA-N 1 3 341.515 2.851 20 0 EFADHO CC(C)[C@H](C(=O)NCCC1=CCN(Cc2ccsc2)CC1)[NH+](C)C ZINC001161133727 1311867068 /nfs/dbraw/zinc/86/70/68/1311867068.db2.gz NWPBFFHWOAVJBV-GOSISDBHSA-N 1 3 349.544 2.973 20 0 EFADHO CN[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001161161486 1311872269 /nfs/dbraw/zinc/87/22/69/1311872269.db2.gz USPSMXZDVHCEEY-IBGZPJMESA-N 1 3 325.456 2.538 20 0 EFADHO CN[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001161161486 1311872272 /nfs/dbraw/zinc/87/22/72/1311872272.db2.gz USPSMXZDVHCEEY-IBGZPJMESA-N 1 3 325.456 2.538 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001228063878 1311896444 /nfs/dbraw/zinc/89/64/44/1311896444.db2.gz FBMBIAQOYMWNCZ-INIZCTEOSA-N 1 3 325.541 2.980 20 0 EFADHO CCC[C@H](Cc1ccccc1)N(CCC)C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161388673 1311876115 /nfs/dbraw/zinc/87/61/15/1311876115.db2.gz JPYMAFABLFQUOC-UXHICEINSA-N 1 3 345.531 2.963 20 0 EFADHO Cc1ccc(CN(C(=O)[C@@H](N)CC(F)F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161399603 1311879295 /nfs/dbraw/zinc/87/92/95/1311879295.db2.gz DDPLMYPZSSEXND-JYJNAYRXSA-N 1 3 339.430 2.576 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001227979815 1311883527 /nfs/dbraw/zinc/88/35/27/1311883527.db2.gz LITHXQZMXOVHAD-RTBURBONSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001015053425 1311883598 /nfs/dbraw/zinc/88/35/98/1311883598.db2.gz QZHMVRJMXRSAGP-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001015053425 1311883600 /nfs/dbraw/zinc/88/36/00/1311883600.db2.gz QZHMVRJMXRSAGP-MOPGFXCFSA-N 1 3 347.547 2.878 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(c2csc3ccccc32)CC1 ZINC001161453052 1311892993 /nfs/dbraw/zinc/89/29/93/1311892993.db2.gz XQIHCPRTRCTATJ-INIZCTEOSA-N 1 3 331.485 2.674 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001228065624 1311896324 /nfs/dbraw/zinc/89/63/24/1311896324.db2.gz SCLCXFKWDNGYPY-UHFFFAOYSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NC1CCN(CCc2ccccc2F)CC1 ZINC001228065624 1311896327 /nfs/dbraw/zinc/89/63/27/1311896327.db2.gz SCLCXFKWDNGYPY-UHFFFAOYSA-N 1 3 349.494 2.679 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001161504134 1311902096 /nfs/dbraw/zinc/90/20/96/1311902096.db2.gz CMUOBHFOTDJTOM-UHFFFAOYSA-N 1 3 329.488 2.667 20 0 EFADHO CCN(CC)CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001161504134 1311902098 /nfs/dbraw/zinc/90/20/98/1311902098.db2.gz CMUOBHFOTDJTOM-UHFFFAOYSA-N 1 3 329.488 2.667 20 0 EFADHO [NH3+]C1(c2cccnc2)CCN(c2ncccc2CN2CCCC2)CC1 ZINC001161586469 1311922949 /nfs/dbraw/zinc/92/29/49/1311922949.db2.gz CBHBZGOZESOMCF-UHFFFAOYSA-N 1 3 337.471 2.527 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCF)N(C)C ZINC001228445443 1311948996 /nfs/dbraw/zinc/94/89/96/1311948996.db2.gz RPYMZUSVMPDRJU-BRWVUGGUSA-N 1 3 329.504 2.729 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)N(C)C ZINC001228445087 1311949115 /nfs/dbraw/zinc/94/91/15/1311949115.db2.gz LYSGNSLHVHBVCH-GUDVDZBRSA-N 1 3 349.494 2.929 20 0 EFADHO C[NH+](C)[C@](C)(C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161688781 1311952407 /nfs/dbraw/zinc/95/24/07/1311952407.db2.gz SFZUBZKEKSQCMD-FQEVSTJZSA-N 1 3 347.478 2.571 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1)[NH+](CC)CC ZINC001228559361 1311964819 /nfs/dbraw/zinc/96/48/19/1311964819.db2.gz QCTVKNLWOYDMOQ-GUDVDZBRSA-N 1 3 346.519 2.719 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCCF)C1 ZINC001228603679 1311968329 /nfs/dbraw/zinc/96/83/29/1311968329.db2.gz RMXRPPXRWZQBBB-RKVPGOIHSA-N 1 3 345.478 2.576 20 0 EFADHO CCC(CC)C[N@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785805 1311972172 /nfs/dbraw/zinc/97/21/72/1311972172.db2.gz SPOSRNUKQWGENA-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO CCC(CC)C[N@@H+]1CC=C(CCNC(=O)Cc2nc[nH]c2C)CC1 ZINC001161785805 1311972175 /nfs/dbraw/zinc/97/21/75/1311972175.db2.gz SPOSRNUKQWGENA-UHFFFAOYSA-N 1 3 332.492 2.835 20 0 EFADHO O=C(CN1CCCC1)NCCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001161879905 1311994009 /nfs/dbraw/zinc/99/40/09/1311994009.db2.gz ZETXNEBABXABNG-UHFFFAOYSA-N 1 3 347.528 2.525 20 0 EFADHO O=C(CN1CCCC1)NCCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001161879905 1311994013 /nfs/dbraw/zinc/99/40/13/1311994013.db2.gz ZETXNEBABXABNG-UHFFFAOYSA-N 1 3 347.528 2.525 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2=CC[N@H+](CCCF)CC2)c1 ZINC001161931310 1312006687 /nfs/dbraw/zinc/00/66/87/1312006687.db2.gz LKEZETHAGWLYMA-UHFFFAOYSA-N 1 3 347.478 2.860 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC2=CC[N@@H+](CCCF)CC2)c1 ZINC001161931310 1312006690 /nfs/dbraw/zinc/00/66/90/1312006690.db2.gz LKEZETHAGWLYMA-UHFFFAOYSA-N 1 3 347.478 2.860 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001161946831 1312010610 /nfs/dbraw/zinc/01/06/10/1312010610.db2.gz HBWMSRMKTARMQA-UHFFFAOYSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001161946831 1312010613 /nfs/dbraw/zinc/01/06/13/1312010613.db2.gz HBWMSRMKTARMQA-UHFFFAOYSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CCCCCF)CC1 ZINC001161947034 1312010669 /nfs/dbraw/zinc/01/06/69/1312010669.db2.gz STKYSSYLMFGPBH-UHFFFAOYSA-N 1 3 327.488 2.605 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001161947034 1312010672 /nfs/dbraw/zinc/01/06/72/1312010672.db2.gz STKYSSYLMFGPBH-UHFFFAOYSA-N 1 3 327.488 2.605 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@H+](CC2CC(F)(F)C2)CC1 ZINC001161946738 1312010979 /nfs/dbraw/zinc/01/09/79/1312010979.db2.gz AASWRUIFQXXRLO-UHFFFAOYSA-N 1 3 343.462 2.510 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1=CC[N@@H+](CC2CC(F)(F)C2)CC1 ZINC001161946738 1312010982 /nfs/dbraw/zinc/01/09/82/1312010982.db2.gz AASWRUIFQXXRLO-UHFFFAOYSA-N 1 3 343.462 2.510 20 0 EFADHO CC[C@H](F)CN1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953045 1312012586 /nfs/dbraw/zinc/01/25/86/1312012586.db2.gz OZBOCOLNNBTDHU-ROUUACIJSA-N 1 3 339.499 2.747 20 0 EFADHO CC[C@H](F)CN1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001161953045 1312012588 /nfs/dbraw/zinc/01/25/88/1312012588.db2.gz OZBOCOLNNBTDHU-ROUUACIJSA-N 1 3 339.499 2.747 20 0 EFADHO CN1CCc2cc(OC[C@H]3CCC4(CC[NH+](C)CC4)O3)ccc2C1 ZINC001228937291 1312023198 /nfs/dbraw/zinc/02/31/98/1312023198.db2.gz YPWOIFLTESWORV-LJQANCHMSA-N 1 3 330.472 2.697 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)CC(C)(C)C ZINC001229214181 1312062614 /nfs/dbraw/zinc/06/26/14/1312062614.db2.gz CRCTUBZJEGKRTP-KURKYZTESA-N 1 3 349.563 2.981 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)[C@H](CC)N(C)C)CC1 ZINC001229223097 1312063843 /nfs/dbraw/zinc/06/38/43/1312063843.db2.gz HIMUZLBJNDRQKV-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001229237382 1312065416 /nfs/dbraw/zinc/06/54/16/1312065416.db2.gz CILUMLYXMXXCIX-ARFHVFGLSA-N 1 3 345.478 2.781 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCc2cccc(C)c2)CC1)N(C)C ZINC001229234336 1312065551 /nfs/dbraw/zinc/06/55/51/1312065551.db2.gz VNILGFLSWUAYRH-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](CCCCc2ccccc2)CC1)N(C)C ZINC001229253370 1312068188 /nfs/dbraw/zinc/06/81/88/1312068188.db2.gz DKNXTNGLFOYAQE-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2cc(C)sc2C)CC1)N(C)C ZINC001229254718 1312068228 /nfs/dbraw/zinc/06/82/28/1312068228.db2.gz XNYBZFMWQWYWLM-KRWDZBQOSA-N 1 3 337.533 2.786 20 0 EFADHO CC[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2C2CC2)CC1)N(C)C ZINC001229253560 1312068615 /nfs/dbraw/zinc/06/86/15/1312068615.db2.gz HAOQGJZITMJAFV-FQEVSTJZSA-N 1 3 343.515 2.985 20 0 EFADHO C[NH+](C)CC[C@@H](c1ccc(-n2cnc(CN)c2)cc1)c1ccccn1 ZINC001162304510 1312084843 /nfs/dbraw/zinc/08/48/43/1312084843.db2.gz UTNJWDBTVPWMAP-IBGZPJMESA-N 1 3 335.455 2.810 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015392262 1312092241 /nfs/dbraw/zinc/09/22/41/1312092241.db2.gz NGZSWUBYPBYCPO-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H](C1CC1)N1CCCC1 ZINC001015392262 1312092244 /nfs/dbraw/zinc/09/22/44/1312092244.db2.gz NGZSWUBYPBYCPO-RTBURBONSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ccc1F ZINC001229523609 1312109634 /nfs/dbraw/zinc/10/96/34/1312109634.db2.gz HKTXNHARRAOHRQ-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(C)ccc1F ZINC001229523609 1312109637 /nfs/dbraw/zinc/10/96/37/1312109637.db2.gz HKTXNHARRAOHRQ-RTBURBONSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800996 1312118354 /nfs/dbraw/zinc/11/83/54/1312118354.db2.gz YMLBJHJZIDZTGR-ZFWWWQNUSA-N 1 3 345.409 2.988 20 0 EFADHO C[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800996 1312118359 /nfs/dbraw/zinc/11/83/59/1312118359.db2.gz YMLBJHJZIDZTGR-ZFWWWQNUSA-N 1 3 345.409 2.988 20 0 EFADHO [NH3+]C1CCN(c2cccc(NCCOc3cc(Cl)ccn3)n2)CC1 ZINC001162625882 1312138998 /nfs/dbraw/zinc/13/89/98/1312138998.db2.gz NOBAATQQHDONGU-UHFFFAOYSA-N 1 3 347.850 2.548 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001015497984 1312153378 /nfs/dbraw/zinc/15/33/78/1312153378.db2.gz HYGAOIURVJEROH-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)C(C)(C)N3CCCC3)C2)cc1 ZINC001015497984 1312153380 /nfs/dbraw/zinc/15/33/80/1312153380.db2.gz HYGAOIURVJEROH-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001229895100 1312155507 /nfs/dbraw/zinc/15/55/07/1312155507.db2.gz CRKWWYHNQUPTPL-YFHOEESVSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(C/C=C\c2ccccc2)CC1 ZINC001229895100 1312155511 /nfs/dbraw/zinc/15/55/11/1312155511.db2.gz CRKWWYHNQUPTPL-YFHOEESVSA-N 1 3 329.488 2.622 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001015506108 1312157667 /nfs/dbraw/zinc/15/76/67/1312157667.db2.gz XJLXUTSEJOTXSV-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1)N1CCCC1 ZINC001015506108 1312157670 /nfs/dbraw/zinc/15/76/70/1312157670.db2.gz XJLXUTSEJOTXSV-QGZVFWFLSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001229908345 1312158342 /nfs/dbraw/zinc/15/83/42/1312158342.db2.gz IXNUTDUFJXPNEZ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN([C@H]2CCc3c2cccc3F)CC1 ZINC001229908345 1312158343 /nfs/dbraw/zinc/15/83/43/1312158343.db2.gz IXNUTDUFJXPNEZ-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CC1CC(C[N@H+]2C[C@H]3CN(C(=O)C(C)(C)N4CCCCC4)C[C@H]3C2)C1 ZINC001048820093 1312164780 /nfs/dbraw/zinc/16/47/80/1312164780.db2.gz BYVGAIGSEVJTJK-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC1CC(C[N@@H+]2C[C@H]3CN(C(=O)C(C)(C)N4CCCCC4)C[C@H]3C2)C1 ZINC001048820093 1312164783 /nfs/dbraw/zinc/16/47/83/1312164783.db2.gz BYVGAIGSEVJTJK-YHFFBGSDSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1)N1CCCCC1 ZINC001048820790 1312165367 /nfs/dbraw/zinc/16/53/67/1312165367.db2.gz PABWHBOJOPVOJA-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1)N1CCCCC1 ZINC001048820790 1312165370 /nfs/dbraw/zinc/16/53/70/1312165370.db2.gz PABWHBOJOPVOJA-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1nc([C@H]2CCC[NH2+]C2)cc(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001162764692 1312171013 /nfs/dbraw/zinc/17/10/13/1312171013.db2.gz ZZEQSNYJLRJZEY-JSGCOSHPSA-N 1 3 336.443 2.611 20 0 EFADHO CC[NH2+]CCN(CCc1ccccc1)C(=O)C(C)(C)N1CCCCC1 ZINC001162810488 1312181040 /nfs/dbraw/zinc/18/10/40/1312181040.db2.gz KNIYYUMUAALQFY-UHFFFAOYSA-N 1 3 345.531 2.932 20 0 EFADHO COc1ccc(CN2CCC(NC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001230090203 1312185283 /nfs/dbraw/zinc/18/52/83/1312185283.db2.gz IXXOZHSAUYXFEN-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CN(C)C1(C(=O)N(CC[NH2+]CC2CC2)CCc2ccccc2)CCC1 ZINC001162832773 1312186973 /nfs/dbraw/zinc/18/69/73/1312186973.db2.gz ZQYNCPMZVLJWBD-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO CC[C@H](C(=O)N(CC[NH2+]CC(C)C)CCc1ccccc1)N(C)C ZINC001162841333 1312187829 /nfs/dbraw/zinc/18/78/29/1312187829.db2.gz RZKGFOQLNINGSO-LJQANCHMSA-N 1 3 333.520 2.644 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001230107532 1312187843 /nfs/dbraw/zinc/18/78/43/1312187843.db2.gz JLXDJOSXODPFBV-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1CCN(Cc2ccc(F)cc2C)CC1 ZINC001230107532 1312187845 /nfs/dbraw/zinc/18/78/45/1312187845.db2.gz JLXDJOSXODPFBV-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2ccccc2CC)CC1 ZINC001230113205 1312189342 /nfs/dbraw/zinc/18/93/42/1312189342.db2.gz XBZVELJBCIMJDX-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC[C@@H]1C ZINC001162928380 1312206075 /nfs/dbraw/zinc/20/60/75/1312206075.db2.gz IFGHZGLUGHQXER-SFHVURJKSA-N 1 3 331.504 2.542 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864344 1312206611 /nfs/dbraw/zinc/20/66/11/1312206611.db2.gz XGBNOASHIHMCEI-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864344 1312206616 /nfs/dbraw/zinc/20/66/16/1312206616.db2.gz XGBNOASHIHMCEI-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864341 1312206682 /nfs/dbraw/zinc/20/66/82/1312206682.db2.gz XEFSPLUXCBIOFO-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1)C1CC1 ZINC001048864341 1312206685 /nfs/dbraw/zinc/20/66/85/1312206685.db2.gz XEFSPLUXCBIOFO-ZCNNSNEGSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)CN1CCC(C)(C)C1 ZINC001162935481 1312206800 /nfs/dbraw/zinc/20/68/00/1312206800.db2.gz YCCRDERUWPSWEC-UHFFFAOYSA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864533 1312206918 /nfs/dbraw/zinc/20/69/18/1312206918.db2.gz IWAVZWNJKDKLNV-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1)C1CCC1 ZINC001048864533 1312206922 /nfs/dbraw/zinc/20/69/22/1312206922.db2.gz IWAVZWNJKDKLNV-KDURUIRLSA-N 1 3 347.547 2.831 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603574 1312208459 /nfs/dbraw/zinc/20/84/59/1312208459.db2.gz VNTOBHMHHOQQDU-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@H]1CCCCN1C1CCCC1 ZINC001015603574 1312208463 /nfs/dbraw/zinc/20/84/63/1312208463.db2.gz VNTOBHMHHOQQDU-IEBWSBKVSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)=CC[NH2+]CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001162946354 1312208684 /nfs/dbraw/zinc/20/86/84/1312208684.db2.gz FXKXTNOVFFRJCH-UHFFFAOYSA-N 1 3 340.471 2.579 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001015608222 1312211597 /nfs/dbraw/zinc/21/15/97/1312211597.db2.gz OUNDFIRSOBYFEM-FFZOFVMBSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001015608222 1312211600 /nfs/dbraw/zinc/21/16/00/1312211600.db2.gz OUNDFIRSOBYFEM-FFZOFVMBSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CN(C)C(C)C)cc1 ZINC001230279880 1312214559 /nfs/dbraw/zinc/21/45/59/1312214559.db2.gz JJDJQCNPSFNWBF-RTBURBONSA-N 1 3 331.504 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC001230284593 1312215036 /nfs/dbraw/zinc/21/50/36/1312215036.db2.gz MLWYFAZISFMLIY-IAGOWNOFSA-N 1 3 337.533 2.648 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001015616188 1312217146 /nfs/dbraw/zinc/21/71/46/1312217146.db2.gz QLBCQVNWIXAACY-FFZOFVMBSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001015616188 1312217149 /nfs/dbraw/zinc/21/71/49/1312217149.db2.gz QLBCQVNWIXAACY-FFZOFVMBSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001015615983 1312217733 /nfs/dbraw/zinc/21/77/33/1312217733.db2.gz OVMMMENKYIZGLT-BJLQDIEVSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(C)c1 ZINC001015615983 1312217736 /nfs/dbraw/zinc/21/77/36/1312217736.db2.gz OVMMMENKYIZGLT-BJLQDIEVSA-N 1 3 343.515 2.724 20 0 EFADHO CCCN(C)CC(=O)N(CC[NH2+]CCC1CC1)CCc1ccccc1 ZINC001162987101 1312219325 /nfs/dbraw/zinc/21/93/25/1312219325.db2.gz KDOOQIUUAODWDO-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN(C)CCC ZINC001162987090 1312219614 /nfs/dbraw/zinc/21/96/14/1312219614.db2.gz JMLOMZBKMIPMRF-UHFFFAOYSA-N 1 3 333.520 2.789 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(CC[NH2+]C(C)C)CCc1ccccc1 ZINC001163007060 1312224945 /nfs/dbraw/zinc/22/49/45/1312224945.db2.gz ODTFVTLQXPHJKN-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001048888484 1312226239 /nfs/dbraw/zinc/22/62/39/1312226239.db2.gz QIPLAJIAGNKIAQ-YIOZNXECSA-N 1 3 347.478 2.617 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3F)C[C@@H]2C1)N(C)C ZINC001048888484 1312226243 /nfs/dbraw/zinc/22/62/43/1312226243.db2.gz QIPLAJIAGNKIAQ-YIOZNXECSA-N 1 3 347.478 2.617 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC001230367007 1312230033 /nfs/dbraw/zinc/23/00/33/1312230033.db2.gz OIDSHKKLIZHQOV-HNNXBMFYSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC001230366743 1312230149 /nfs/dbraw/zinc/23/01/49/1312230149.db2.gz FWKDACAFBWFXBE-UHFFFAOYSA-N 1 3 343.515 2.596 20 0 EFADHO COc1cccc([C@H](C)[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230366685 1312230577 /nfs/dbraw/zinc/23/05/77/1312230577.db2.gz CRVTULWTFQHAEH-INIZCTEOSA-N 1 3 347.503 2.677 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230373831 1312231259 /nfs/dbraw/zinc/23/12/59/1312231259.db2.gz BTASVBGNVKPQLE-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CCc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C(C)C)CC1 ZINC001230374043 1312231347 /nfs/dbraw/zinc/23/13/47/1312231347.db2.gz HMQBNBLCCNGFMN-UHFFFAOYSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001163087940 1312238393 /nfs/dbraw/zinc/23/83/93/1312238393.db2.gz VGWOIARDGYRIMH-HZPDHXFCSA-N 1 3 330.476 2.641 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(CC(C)C)nc(Cl)c1C ZINC001163129845 1312246669 /nfs/dbraw/zinc/24/66/69/1312246669.db2.gz RUNOUJPUKWJJMI-UHFFFAOYSA-N 1 3 340.903 2.915 20 0 EFADHO CC[NH+](CC)CCNC(=N)Nc1c(F)ccc2c(Cl)ncnc21 ZINC001163129577 1312247195 /nfs/dbraw/zinc/24/71/95/1312247195.db2.gz OSWUVSPRDYGAQO-UHFFFAOYSA-N 1 3 338.818 2.700 20 0 EFADHO C[NH+](C)CCCOc1ccc(N[C@H]2CNCc3ccsc32)cn1 ZINC001163229850 1312270129 /nfs/dbraw/zinc/27/01/29/1312270129.db2.gz LRVAZJXXYPBFNT-HNNXBMFYSA-N 1 3 332.473 2.730 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001230575322 1312270691 /nfs/dbraw/zinc/27/06/91/1312270691.db2.gz MTYBZVKVJFJDEO-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230575322 1312270694 /nfs/dbraw/zinc/27/06/94/1312270694.db2.gz MTYBZVKVJFJDEO-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO Nc1[nH+]ccn1Cc1ccccc1N[C@H]1CNCc2ccsc21 ZINC001163231177 1312270957 /nfs/dbraw/zinc/27/09/57/1312270957.db2.gz VJTAKQIBPPGUJO-HNNXBMFYSA-N 1 3 325.441 2.832 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001230610929 1312282784 /nfs/dbraw/zinc/28/27/84/1312282784.db2.gz KFRXKMXDSANIKO-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001230610929 1312282787 /nfs/dbraw/zinc/28/27/87/1312282787.db2.gz KFRXKMXDSANIKO-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001230611116 1312282920 /nfs/dbraw/zinc/28/29/20/1312282920.db2.gz MQJRWCLXYKWTBF-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001230611116 1312282924 /nfs/dbraw/zinc/28/29/24/1312282924.db2.gz MQJRWCLXYKWTBF-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903075667 1312328602 /nfs/dbraw/zinc/32/86/02/1312328602.db2.gz BCIODNVDMNBZOE-XIHRNRATSA-N 1 3 332.463 2.724 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1ccc(F)cc1 ZINC000903075667 1312328608 /nfs/dbraw/zinc/32/86/08/1312328608.db2.gz BCIODNVDMNBZOE-XIHRNRATSA-N 1 3 332.463 2.724 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCN(CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001015793813 1312362383 /nfs/dbraw/zinc/36/23/83/1312362383.db2.gz DETHGININMTROJ-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796633 1312367049 /nfs/dbraw/zinc/36/70/49/1312367049.db2.gz YZBVDBLUNJVJEZ-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO CC[C@H](C(=O)NCCCN(CC)Cc1cccnc1)[NH+](CC)CC ZINC001230846476 1312368852 /nfs/dbraw/zinc/36/88/52/1312368852.db2.gz KUFMKIQCQHDLJQ-GOSISDBHSA-N 1 3 334.508 2.530 20 0 EFADHO CCCC[N@H+](CCCNC(=O)CN1CCC[C@H]1C)Cc1cccnc1 ZINC001230846636 1312369430 /nfs/dbraw/zinc/36/94/30/1312369430.db2.gz SEKASQFTTOOADO-GOSISDBHSA-N 1 3 346.519 2.674 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)CN1CCC[C@H]1C)Cc1cccnc1 ZINC001230846636 1312369433 /nfs/dbraw/zinc/36/94/33/1312369433.db2.gz SEKASQFTTOOADO-GOSISDBHSA-N 1 3 346.519 2.674 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@H+](CCC1CC1)Cc1cccnc1 ZINC001230871492 1312375782 /nfs/dbraw/zinc/37/57/82/1312375782.db2.gz IPMTZHKFRKNBMY-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@@H+](CCC1CC1)Cc1cccnc1 ZINC001230871492 1312375786 /nfs/dbraw/zinc/37/57/86/1312375786.db2.gz IPMTZHKFRKNBMY-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO c1ccc2c(c1)OC[C@@H](CCNC1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)O2 ZINC000903123879 1312379442 /nfs/dbraw/zinc/37/94/42/1312379442.db2.gz CIUWWUJNVQROAX-NXCDMZCRSA-N 1 3 328.456 2.964 20 0 EFADHO c1ccc2c(c1)OC[C@@H](CCNC1C[C@H]3CC[C@@H](C1)[N@@H+]3C1CC1)O2 ZINC000903123879 1312379444 /nfs/dbraw/zinc/37/94/44/1312379444.db2.gz CIUWWUJNVQROAX-NXCDMZCRSA-N 1 3 328.456 2.964 20 0 EFADHO C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC001163822159 1312388211 /nfs/dbraw/zinc/38/82/11/1312388211.db2.gz UBVYBDQCOKMZGE-QAPCUYQASA-N 1 3 347.478 2.857 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCC4CCCC4)C[C@@H]3C2)C1 ZINC001049055454 1312410729 /nfs/dbraw/zinc/41/07/29/1312410729.db2.gz AWWCGFQJBZGWFX-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3C[N@H+](CCC4CCCC4)C[C@@H]3C2)C1 ZINC001049055454 1312410731 /nfs/dbraw/zinc/41/07/31/1312410731.db2.gz AWWCGFQJBZGWFX-KDURUIRLSA-N 1 3 347.547 2.689 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2C1)N(C)C ZINC001049064317 1312417144 /nfs/dbraw/zinc/41/71/44/1312417144.db2.gz CSJVRWFRQORGBF-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ccc3C)C[C@@H]2C1)N(C)C ZINC001049064317 1312417149 /nfs/dbraw/zinc/41/71/49/1312417149.db2.gz CSJVRWFRQORGBF-ZCNNSNEGSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1)N(C)C ZINC001049064327 1312417334 /nfs/dbraw/zinc/41/73/34/1312417334.db2.gz CZIDWACXNWXKAV-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@@H]2C1)N(C)C ZINC001049064327 1312417335 /nfs/dbraw/zinc/41/73/35/1312417335.db2.gz CZIDWACXNWXKAV-OTWHNJEPSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049065780 1312418661 /nfs/dbraw/zinc/41/86/61/1312418661.db2.gz XGLNCWLJJNTOFG-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1)N(C)C ZINC001049065780 1312418662 /nfs/dbraw/zinc/41/86/62/1312418662.db2.gz XGLNCWLJJNTOFG-OTWHNJEPSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001049066005 1312418830 /nfs/dbraw/zinc/41/88/30/1312418830.db2.gz CJEXMBHKKMVJTJ-FFGOWVMKSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2C1)N(C)C ZINC001049066005 1312418835 /nfs/dbraw/zinc/41/88/35/1312418835.db2.gz CJEXMBHKKMVJTJ-FFGOWVMKSA-N 1 3 343.515 2.786 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049066010 1312419126 /nfs/dbraw/zinc/41/91/26/1312419126.db2.gz CLYTXRHSWXFSRT-YRPNKDGESA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@@H]2C1)N(C)C ZINC001049066010 1312419128 /nfs/dbraw/zinc/41/91/28/1312419128.db2.gz CLYTXRHSWXFSRT-YRPNKDGESA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(NCC2(N(C)C)CC[NH+](C)CC2)n1 ZINC001164210458 1312468647 /nfs/dbraw/zinc/46/86/47/1312468647.db2.gz DHIKZRBVSJDNHL-QGZVFWFLSA-N 1 3 345.535 2.898 20 0 EFADHO O=C(N[C@@H]1CCN(CC2=CCCCC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001015971198 1312483767 /nfs/dbraw/zinc/48/37/67/1312483767.db2.gz ZWRPQNKICNIBAY-HXUWFJFHSA-N 1 3 345.531 2.799 20 0 EFADHO CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131304 1312493881 /nfs/dbraw/zinc/49/38/81/1312493881.db2.gz INHXXMUPQHKTBO-KDURUIRLSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001049131304 1312493885 /nfs/dbraw/zinc/49/38/85/1312493885.db2.gz INHXXMUPQHKTBO-KDURUIRLSA-N 1 3 335.536 2.545 20 0 EFADHO COC(=O)c1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)ccc1O ZINC001231419532 1312495014 /nfs/dbraw/zinc/49/50/14/1312495014.db2.gz JEWKGMDJVOICPZ-UHFFFAOYSA-N 1 3 346.471 2.733 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001015997578 1312499950 /nfs/dbraw/zinc/49/99/50/1312499950.db2.gz FMGLIGFJTLIEMD-QUCCMNQESA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001015997578 1312499952 /nfs/dbraw/zinc/49/99/52/1312499952.db2.gz FMGLIGFJTLIEMD-QUCCMNQESA-N 1 3 343.515 2.842 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997657 1312500347 /nfs/dbraw/zinc/50/03/47/1312500347.db2.gz FOPSMMBOEVOOGU-QFBILLFUSA-N 1 3 341.499 2.596 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)C1 ZINC001015997657 1312500351 /nfs/dbraw/zinc/50/03/51/1312500351.db2.gz FOPSMMBOEVOOGU-QFBILLFUSA-N 1 3 341.499 2.596 20 0 EFADHO O=C(N[C@H]1CCN(Cc2ccc3ccccc3c2)C1)C12CC[NH+](CC1)C2 ZINC001016003393 1312505415 /nfs/dbraw/zinc/50/54/15/1312505415.db2.gz HAAKAQFDJHXFRK-FQEVSTJZSA-N 1 3 349.478 2.626 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3cnccc3N(C)C)C2)cs1 ZINC001016008201 1312508472 /nfs/dbraw/zinc/50/84/72/1312508472.db2.gz BMCIUTWCBXZRBW-HNNXBMFYSA-N 1 3 344.484 2.522 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnccc3N(C)C)C2)cs1 ZINC001016008201 1312508474 /nfs/dbraw/zinc/50/84/74/1312508474.db2.gz BMCIUTWCBXZRBW-HNNXBMFYSA-N 1 3 344.484 2.522 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001164536604 1312535397 /nfs/dbraw/zinc/53/53/97/1312535397.db2.gz NXYBKPNMGOUIDY-INIZCTEOSA-N 1 3 341.515 2.875 20 0 EFADHO Cc1ccc(O)cc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001277552044 1312551293 /nfs/dbraw/zinc/55/12/93/1312551293.db2.gz SZPOAEKQEFVBAI-HXUWFJFHSA-N 1 3 331.504 2.550 20 0 EFADHO Cc1ccc(O)cc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001277552044 1312551296 /nfs/dbraw/zinc/55/12/96/1312551296.db2.gz SZPOAEKQEFVBAI-HXUWFJFHSA-N 1 3 331.504 2.550 20 0 EFADHO CN(Cc1ccc(N2CC[NH2+][C@H](Cc3ccccc3)C2)nc1)C1CC1 ZINC001164628203 1312553195 /nfs/dbraw/zinc/55/31/95/1312553195.db2.gz YMNWJCOKRBDRNU-LJQANCHMSA-N 1 3 336.483 2.697 20 0 EFADHO COC(C)(C)C[NH+]1CCC2(CCN(Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277584961 1312585028 /nfs/dbraw/zinc/58/50/28/1312585028.db2.gz XMKGUSQUVSLZDA-UHFFFAOYSA-N 1 3 333.476 2.500 20 0 EFADHO CCC[N@@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165223261 1312590684 /nfs/dbraw/zinc/59/06/84/1312590684.db2.gz MGQVQLVOWFLEKT-QGZVFWFLSA-N 1 3 325.460 2.850 20 0 EFADHO CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2ncc3c2CCNC3)nc1 ZINC001165223261 1312590688 /nfs/dbraw/zinc/59/06/88/1312590688.db2.gz MGQVQLVOWFLEKT-QGZVFWFLSA-N 1 3 325.460 2.850 20 0 EFADHO COC(=O)[C@H]1C[N@H+](Cc2cc3cnccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232019369 1312606985 /nfs/dbraw/zinc/60/69/85/1312606985.db2.gz YEBDTPWBLIHXOP-ROUUACIJSA-N 1 3 335.407 2.952 20 0 EFADHO COC(=O)[C@H]1C[N@@H+](Cc2cc3cnccc3[nH]2)C[C@H]1c1ccccc1 ZINC001232019369 1312606988 /nfs/dbraw/zinc/60/69/88/1312606988.db2.gz YEBDTPWBLIHXOP-ROUUACIJSA-N 1 3 335.407 2.952 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234596 1312610197 /nfs/dbraw/zinc/61/01/97/1312610197.db2.gz GCEGFWSBUIYYIW-YTQUADARSA-N 1 3 343.515 2.798 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC001049234596 1312610201 /nfs/dbraw/zinc/61/02/01/1312610201.db2.gz GCEGFWSBUIYYIW-YTQUADARSA-N 1 3 343.515 2.798 20 0 EFADHO C[NH+](C)CCCC(=O)NCCCNCc1cc(Cl)ccc1Cl ZINC001165360887 1312615523 /nfs/dbraw/zinc/61/55/23/1312615523.db2.gz VDUASAJWIAADEC-UHFFFAOYSA-N 1 3 346.302 2.931 20 0 EFADHO Cn1cc(CN2CCC3(CC2)CC[NH+](C)CC3)c(C(F)(F)F)n1 ZINC001232091452 1312622433 /nfs/dbraw/zinc/62/24/33/1312622433.db2.gz CXJIKTPKUXFRTP-UHFFFAOYSA-N 1 3 330.398 2.747 20 0 EFADHO CN(C)C1=NOC2(C1)CCN(Cc1cc(F)cc(C[NH+](C)C)c1)CC2 ZINC001232149993 1312634453 /nfs/dbraw/zinc/63/44/53/1312634453.db2.gz OBKFQAKFSGDVSC-UHFFFAOYSA-N 1 3 348.466 2.517 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1)C1CC1 ZINC001165485492 1312636681 /nfs/dbraw/zinc/63/66/81/1312636681.db2.gz XPGNAEXPZTXUQQ-SFHVURJKSA-N 1 3 347.478 2.542 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccccc2F)CC1)C1CC1 ZINC001165485291 1312636828 /nfs/dbraw/zinc/63/68/28/1312636828.db2.gz REZWVQNLCZNVDC-GOSISDBHSA-N 1 3 347.478 2.542 20 0 EFADHO CN(C)[C@H](C(=O)NCCC1(C[NH2+]CC2CCCCC2)CC1)C1CC1 ZINC001165485504 1312637050 /nfs/dbraw/zinc/63/70/50/1312637050.db2.gz YBPZNSAHYDQGGY-SFHVURJKSA-N 1 3 335.536 2.783 20 0 EFADHO CCCC[C@H](CC)CN1C[C@@H]2COC[C@H](C1)N2C1CC[NH+](C)CC1 ZINC001277625334 1312642683 /nfs/dbraw/zinc/64/26/83/1312642683.db2.gz UYCHDXDTKVWAPB-YSIASYRMSA-N 1 3 337.552 2.682 20 0 EFADHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232190947 1312645026 /nfs/dbraw/zinc/64/50/26/1312645026.db2.gz WSJNVUUUPBIMGN-OAHLLOKOSA-N 1 3 347.484 2.992 20 0 EFADHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccns1)CC2 ZINC001232190947 1312645028 /nfs/dbraw/zinc/64/50/28/1312645028.db2.gz WSJNVUUUPBIMGN-OAHLLOKOSA-N 1 3 347.484 2.992 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC2=CCCCC2)CC1)N(C)C ZINC001165617314 1312653813 /nfs/dbraw/zinc/65/38/13/1312653813.db2.gz KUWWIZLMFHKKMM-SFHVURJKSA-N 1 3 335.536 2.949 20 0 EFADHO CN(C)C(=O)CCN[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277636249 1312657610 /nfs/dbraw/zinc/65/76/10/1312657610.db2.gz HMDGTNHUNCYFRV-CVEARBPZSA-N 1 3 349.441 2.832 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865431 1314431796 /nfs/dbraw/zinc/43/17/96/1314431796.db2.gz OFRDETKQHPBVIA-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865431 1314431800 /nfs/dbraw/zinc/43/18/00/1314431800.db2.gz OFRDETKQHPBVIA-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867369 1314433548 /nfs/dbraw/zinc/43/35/48/1314433548.db2.gz LQZQVINZDDYRRO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(Cc3cccc(F)c3)CC2)C1 ZINC001052867369 1314433549 /nfs/dbraw/zinc/43/35/49/1314433549.db2.gz LQZQVINZDDYRRO-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052897948 1314459075 /nfs/dbraw/zinc/45/90/75/1314459075.db2.gz PEVIZRQHYLGYDD-QGZVFWFLSA-N 1 3 330.476 2.732 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052897948 1314459080 /nfs/dbraw/zinc/45/90/80/1314459080.db2.gz PEVIZRQHYLGYDD-QGZVFWFLSA-N 1 3 330.476 2.732 20 0 EFADHO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241713 1314462464 /nfs/dbraw/zinc/46/24/64/1314462464.db2.gz WTNRQODPPVVGQR-ROUUACIJSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H](F)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211247930 1314463130 /nfs/dbraw/zinc/46/31/30/1314463130.db2.gz CKFACWVEEBBUIG-SJORKVTESA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@H](F)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211247928 1314463667 /nfs/dbraw/zinc/46/36/67/1314463667.db2.gz CKFACWVEEBBUIG-IRXDYDNUSA-N 1 3 335.467 2.691 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211251105 1314464234 /nfs/dbraw/zinc/46/42/34/1314464234.db2.gz ZQMHYWGZVJMAAJ-SJLPKXTDSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001211268081 1314466729 /nfs/dbraw/zinc/46/67/29/1314466729.db2.gz GTKCXWLWXXSBKD-QGZVFWFLSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211270184 1314467597 /nfs/dbraw/zinc/46/75/97/1314467597.db2.gz YKJSAKYFTTWWBH-IBGZPJMESA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(CCC[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211278062 1314468077 /nfs/dbraw/zinc/46/80/77/1314468077.db2.gz PIWSMKOOVSKDOQ-HXUWFJFHSA-N 1 3 345.531 2.848 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001211285576 1314469474 /nfs/dbraw/zinc/46/94/74/1314469474.db2.gz PRCJCBJURSWXDG-ICSRJNTNSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001211286834 1314469491 /nfs/dbraw/zinc/46/94/91/1314469491.db2.gz XUDWKHWYBRQKNJ-QGZVFWFLSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001211287146 1314469532 /nfs/dbraw/zinc/46/95/32/1314469532.db2.gz ZXVXLINGLFGSGY-HNAYVOBHSA-N 1 3 347.478 2.734 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211284355 1314469582 /nfs/dbraw/zinc/46/95/82/1314469582.db2.gz LIZRYVOCUCXFBV-AEFFLSMTSA-N 1 3 347.503 2.677 20 0 EFADHO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001211284371 1314469706 /nfs/dbraw/zinc/46/97/06/1314469706.db2.gz LIZRYVOCUCXFBV-WMZOPIPTSA-N 1 3 347.503 2.677 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001211286833 1314469715 /nfs/dbraw/zinc/46/97/15/1314469715.db2.gz XUDWKHWYBRQKNJ-KRWDZBQOSA-N 1 3 337.533 2.786 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001211284594 1314469813 /nfs/dbraw/zinc/46/98/13/1314469813.db2.gz NEBXRYDOLLVNCP-HZPDHXFCSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001211285776 1314469894 /nfs/dbraw/zinc/46/98/94/1314469894.db2.gz RJNKTROUZOKZLM-CRAIPNDOSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C)N1CCCCC1 ZINC001211367215 1314485502 /nfs/dbraw/zinc/48/55/02/1314485502.db2.gz PWMNUSNSUGITCI-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C)N1CCCCC1 ZINC001211367215 1314485504 /nfs/dbraw/zinc/48/55/04/1314485504.db2.gz PWMNUSNSUGITCI-QRQLOZEOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC001211375001 1314487597 /nfs/dbraw/zinc/48/75/97/1314487597.db2.gz VMYAUVHSFNYAKQ-MISYRCLQSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1F ZINC001052933713 1314493100 /nfs/dbraw/zinc/49/31/00/1314493100.db2.gz DLKILHMHVAMHAM-QZTJIDSGSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001052933713 1314493102 /nfs/dbraw/zinc/49/31/02/1314493102.db2.gz DLKILHMHVAMHAM-QZTJIDSGSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001052936216 1314496606 /nfs/dbraw/zinc/49/66/06/1314496606.db2.gz YQZATBROEOCKAT-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(CN2CCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001052936216 1314496611 /nfs/dbraw/zinc/49/66/11/1314496611.db2.gz YQZATBROEOCKAT-WMZOPIPTSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]Cc3ccsc3)C2)c1 ZINC001019810847 1314513464 /nfs/dbraw/zinc/51/34/64/1314513464.db2.gz MXHZGLAYXIIBKN-SFHVURJKSA-N 1 3 343.496 2.814 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001019820271 1314515155 /nfs/dbraw/zinc/51/51/55/1314515155.db2.gz CUOMQUXEFRXDCK-PMACEKPBSA-N 1 3 343.515 2.868 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001019820493 1314515694 /nfs/dbraw/zinc/51/56/94/1314515694.db2.gz MEWGMUDAFYEHBR-OALUTQOASA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001019820408 1314515735 /nfs/dbraw/zinc/51/57/35/1314515735.db2.gz IZOSHOCWOSDFKT-IRXDYDNUSA-N 1 3 335.517 2.621 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC001052956682 1314517025 /nfs/dbraw/zinc/51/70/25/1314517025.db2.gz XDUMTJYPHSSLDZ-LSDHHAIUSA-N 1 3 349.441 2.784 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC001052956682 1314517028 /nfs/dbraw/zinc/51/70/28/1314517028.db2.gz XDUMTJYPHSSLDZ-LSDHHAIUSA-N 1 3 349.441 2.784 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001052985221 1314542683 /nfs/dbraw/zinc/54/26/83/1314542683.db2.gz CFIDFAZHYTUURH-IAVZTARUSA-N 1 3 345.531 2.582 20 0 EFADHO CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001052985221 1314542688 /nfs/dbraw/zinc/54/26/88/1314542688.db2.gz CFIDFAZHYTUURH-IAVZTARUSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052986813 1314544097 /nfs/dbraw/zinc/54/40/97/1314544097.db2.gz WASBOZNTOZYRSV-BGYRXZFFSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC2CCCC2)CC1 ZINC001052986813 1314544102 /nfs/dbraw/zinc/54/41/02/1314544102.db2.gz WASBOZNTOZYRSV-BGYRXZFFSA-N 1 3 347.547 2.972 20 0 EFADHO CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052989510 1314545416 /nfs/dbraw/zinc/54/54/16/1314545416.db2.gz IYXKYJPPGBNLAQ-KDURUIRLSA-N 1 3 345.531 2.726 20 0 EFADHO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCC2CC2)CC1 ZINC001052994856 1314549815 /nfs/dbraw/zinc/54/98/15/1314549815.db2.gz PNSNDNJHDQZKSX-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CCC2CC2)CC1 ZINC001052994856 1314549820 /nfs/dbraw/zinc/54/98/20/1314549820.db2.gz PNSNDNJHDQZKSX-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)CNC[C@]23CCC[C@H]2C[NH2+]C3)cc1 ZINC001245982233 1314558883 /nfs/dbraw/zinc/55/88/83/1314558883.db2.gz CRFGKRFVFUVFRG-NLWGTHIKSA-N 1 3 332.488 2.529 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1CNC[C@@H](O)COc1cccc2ccccc21 ZINC001245983297 1314559463 /nfs/dbraw/zinc/55/94/63/1314559463.db2.gz OCOGDGWQFPBHKF-RYQLBKOJSA-N 1 3 328.456 2.557 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)CN[C@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982912 1314559487 /nfs/dbraw/zinc/55/94/87/1314559487.db2.gz KFYVIRASIGOPHM-UMGGQSCQSA-N 1 3 332.488 2.527 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCCCc1ccc(Cl)cc1 ZINC001245989740 1314560454 /nfs/dbraw/zinc/56/04/54/1314560454.db2.gz XPCFFIIZZQIZPR-RBUKOAKNSA-N 1 3 332.875 2.793 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CNC[C@@]1(C)CCCC[NH2+]C1 ZINC001245993222 1314561648 /nfs/dbraw/zinc/56/16/48/1314561648.db2.gz NGBQGLTURKBSMN-FHWLQOOXSA-N 1 3 328.541 2.950 20 0 EFADHO O[C@@H](C[NH2+][C@@H]1CCCCNC1)COCc1c(Cl)cccc1Cl ZINC001245996288 1314562536 /nfs/dbraw/zinc/56/25/36/1314562536.db2.gz UYSRHWNKJQWXQI-OLZOCXBDSA-N 1 3 347.286 2.603 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNC1(Cc2cccc(F)c2)CCC1 ZINC001246001136 1314563663 /nfs/dbraw/zinc/56/36/63/1314563663.db2.gz QBURSCACZBVZIZ-VQTJNVASSA-N 1 3 342.458 2.811 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC[C@@H](O)COCc1c(Cl)cccc1Cl ZINC001246008035 1314564831 /nfs/dbraw/zinc/56/48/31/1314564831.db2.gz AEMOHOSUCOXZGA-ABAIWWIYSA-N 1 3 349.302 2.834 20 0 EFADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC001246020724 1314567131 /nfs/dbraw/zinc/56/71/31/1314567131.db2.gz JSZHMGJIHSSBIY-JFIYKMOQSA-N 1 3 334.504 2.783 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001246033961 1314570460 /nfs/dbraw/zinc/57/04/60/1314570460.db2.gz LZZNLDNHBORNCJ-WMZOPIPTSA-N 1 3 334.504 2.785 20 0 EFADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246035933 1314570470 /nfs/dbraw/zinc/57/04/70/1314570470.db2.gz VCYNOQCDTOLAAO-VUHPKUFZSA-N 1 3 336.907 2.939 20 0 EFADHO CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)C[N@@H+]1C[C@@H]2[C@@H](N)[C@@H]2C1 ZINC001246035933 1314570474 /nfs/dbraw/zinc/57/04/74/1314570474.db2.gz VCYNOQCDTOLAAO-VUHPKUFZSA-N 1 3 336.907 2.939 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@@H+]1CCCC12CCNCC2 ZINC001246033740 1314571007 /nfs/dbraw/zinc/57/10/07/1314571007.db2.gz OTELZJYJBUUGDG-ZWKOTPCHSA-N 1 3 326.525 2.798 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CCCC12CCNCC2 ZINC001246033740 1314571011 /nfs/dbraw/zinc/57/10/11/1314571011.db2.gz OTELZJYJBUUGDG-ZWKOTPCHSA-N 1 3 326.525 2.798 20 0 EFADHO O[C@@]1(CN2CCC(c3ccccc3)(c3ccccc3)CC2)CC[NH2+]C1 ZINC001246041761 1314572150 /nfs/dbraw/zinc/57/21/50/1314572150.db2.gz BNDKPHFWVFHQEW-NRFANRHFSA-N 1 3 336.479 2.793 20 0 EFADHO O[C@@]1(C[N@@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246045030 1314572482 /nfs/dbraw/zinc/57/24/82/1314572482.db2.gz HKBMJWBCJSDEDQ-ZBFHGGJFSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246045030 1314572488 /nfs/dbraw/zinc/57/24/88/1314572488.db2.gz HKBMJWBCJSDEDQ-ZBFHGGJFSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(CN2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]C1 ZINC001246045030 1314572494 /nfs/dbraw/zinc/57/24/94/1314572494.db2.gz HKBMJWBCJSDEDQ-ZBFHGGJFSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051676 1314574204 /nfs/dbraw/zinc/57/42/04/1314574204.db2.gz HBADGYRVVALRNI-HOTGVXAUSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@@]1(C[N@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051676 1314574209 /nfs/dbraw/zinc/57/42/09/1314574209.db2.gz HBADGYRVVALRNI-HOTGVXAUSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@@]1(C[N@@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061131 1314577125 /nfs/dbraw/zinc/57/71/25/1314577125.db2.gz HLENPDBGVUQQSD-HOTGVXAUSA-N 1 3 344.377 2.837 20 0 EFADHO O[C@@]1(C[N@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)CCCNC1 ZINC001246061131 1314577128 /nfs/dbraw/zinc/57/71/28/1314577128.db2.gz HLENPDBGVUQQSD-HOTGVXAUSA-N 1 3 344.377 2.837 20 0 EFADHO CCCN(C[C@H](O)COc1ccc(C(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC001246065885 1314578653 /nfs/dbraw/zinc/57/86/53/1314578653.db2.gz JXJUQHYMEGTJCL-HKUYNNGSSA-N 1 3 334.504 2.871 20 0 EFADHO Cc1ccc(OC[C@H](O)C[N@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001246071351 1314579386 /nfs/dbraw/zinc/57/93/86/1314579386.db2.gz ZFLYZACGQLRGQL-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccc(OC[C@H](O)C[N@@H+](CC(C)(C)C)C2CCNCC2)cc1 ZINC001246071351 1314579390 /nfs/dbraw/zinc/57/93/90/1314579390.db2.gz ZFLYZACGQLRGQL-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO Cc1ccc(OC[C@H](O)CN(CC(C)(C)C)C2CC[NH2+]CC2)cc1 ZINC001246071351 1314579396 /nfs/dbraw/zinc/57/93/96/1314579396.db2.gz ZFLYZACGQLRGQL-GOSISDBHSA-N 1 3 334.504 2.835 20 0 EFADHO c1ccc(C[C@@H]2C[C@@H]([NH2+]CCc3ccc4c(c3)OCO4)CCN2)cc1 ZINC001246075568 1314580447 /nfs/dbraw/zinc/58/04/47/1314580447.db2.gz JYCJXCRHQGJHPA-RBUKOAKNSA-N 1 3 338.451 2.911 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246084371 1314581208 /nfs/dbraw/zinc/58/12/08/1314581208.db2.gz ROWHOMQGMRENOR-WKPIXPDZSA-N 1 3 335.250 2.577 20 0 EFADHO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246089666 1314582076 /nfs/dbraw/zinc/58/20/76/1314582076.db2.gz RPAZQPVKUKANMD-XFBWCDHKSA-N 1 3 349.277 2.967 20 0 EFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246135981 1314587324 /nfs/dbraw/zinc/58/73/24/1314587324.db2.gz UCFPZCGRDHRNHI-PRXAMGSTSA-N 1 3 344.833 2.765 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001246133894 1314587535 /nfs/dbraw/zinc/58/75/35/1314587535.db2.gz KNTPAPIBDSREKT-RBOXIYTFSA-N 1 3 329.271 2.750 20 0 EFADHO C[C@H](CC(C)(C)SCc1ccco1)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246145970 1314589315 /nfs/dbraw/zinc/58/93/15/1314589315.db2.gz GJGVVAHPONBJJQ-AIANPOQGSA-N 1 3 338.517 2.894 20 0 EFADHO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+][C@@H]1[C@H]2CNC[C@@H]1COC2 ZINC001246153682 1314590094 /nfs/dbraw/zinc/59/00/94/1314590094.db2.gz ZUVHDWLRQGEEKY-KVFJLYFUSA-N 1 3 344.833 2.763 20 0 EFADHO CCCCN1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713027 1314593013 /nfs/dbraw/zinc/59/30/13/1314593013.db2.gz LBSGBWVKJWVLEA-QZTJIDSGSA-N 1 3 341.540 2.504 20 0 EFADHO CC[C@@H]1C[C@H](NCc2ccccc2N2CCN(C)CC2)C[C@H](CC)[NH2+]1 ZINC001246184347 1314594759 /nfs/dbraw/zinc/59/47/59/1314594759.db2.gz ZWZJLIVOBOKAOR-PMOLBWCYSA-N 1 3 344.547 2.837 20 0 EFADHO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](C)Cc1ccc(F)cc1Cl ZINC001246198748 1314596471 /nfs/dbraw/zinc/59/64/71/1314596471.db2.gz FMTSGYMOCVJZMT-PEYYIBSZSA-N 1 3 342.842 2.541 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029638 1314602436 /nfs/dbraw/zinc/60/24/36/1314602436.db2.gz USIUDGRRISTDHZ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029638 1314602444 /nfs/dbraw/zinc/60/24/44/1314602444.db2.gz USIUDGRRISTDHZ-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCN[C@H](C)C1 ZINC001246286338 1314606801 /nfs/dbraw/zinc/60/68/01/1314606801.db2.gz KBLDZEDGGAVAGP-VELGLUOQSA-N 1 3 343.515 2.543 20 0 EFADHO CCOC(=O)CC1(N[C@@H]2CCc3ccc(C)cc3C2)CC[NH2+]CC1 ZINC001246325321 1314610408 /nfs/dbraw/zinc/61/04/08/1314610408.db2.gz JLAWBAIOVBVENG-GOSISDBHSA-N 1 3 330.472 2.517 20 0 EFADHO CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246334208 1314611996 /nfs/dbraw/zinc/61/19/96/1314611996.db2.gz OIEQYUNNQYUFMA-QZTJIDSGSA-N 1 3 332.488 2.919 20 0 EFADHO CO[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001246348808 1314614320 /nfs/dbraw/zinc/61/43/20/1314614320.db2.gz MCTSEMBGMCTFIR-CIISACIHSA-N 1 3 332.822 2.906 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C)NC3)CC2)cc1F ZINC001246364166 1314615965 /nfs/dbraw/zinc/61/59/65/1314615965.db2.gz TZXSVQXNDRLQMZ-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC(N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)cc1F ZINC001246364166 1314615969 /nfs/dbraw/zinc/61/59/69/1314615969.db2.gz TZXSVQXNDRLQMZ-WMLDXEAASA-N 1 3 335.467 2.529 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)c3cccc(F)c3)CC2)CCN1 ZINC001246391432 1314622227 /nfs/dbraw/zinc/62/22/27/1314622227.db2.gz ANEYIWKGUGRBQW-XDKFSHSGSA-N 1 3 333.451 2.597 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4cc(F)ccc4C3=O)CC2)CCN1 ZINC001246394026 1314622904 /nfs/dbraw/zinc/62/29/04/1314622904.db2.gz LJTDHLUMKFIFFS-BNEJOLLZSA-N 1 3 345.462 2.823 20 0 EFADHO COc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246408213 1314624927 /nfs/dbraw/zinc/62/49/27/1314624927.db2.gz BWABGNBRFCEWFT-SJLPKXTDSA-N 1 3 332.488 2.765 20 0 EFADHO CCn1c2ccccc2nc1N1CCC([NH2+][C@@H]2CCN[C@H](C)C2)CC1 ZINC001246405686 1314625009 /nfs/dbraw/zinc/62/50/09/1314625009.db2.gz NGFVOMRPTXFISP-NVXWUHKLSA-N 1 3 341.503 2.755 20 0 EFADHO COc1ccccc1CC1(C[NH2+][C@H]2CCN[C@H](C)C2)CCOCC1 ZINC001246408201 1314625229 /nfs/dbraw/zinc/62/52/29/1314625229.db2.gz BWABGNBRFCEWFT-AEFFLSMTSA-N 1 3 332.488 2.765 20 0 EFADHO O=C(N[C@H]1CC[C@H]([NH2+]C2CCNCC2)CC1)c1ccc(Cl)cc1 ZINC001246442721 1314629877 /nfs/dbraw/zinc/62/98/77/1314629877.db2.gz PUARUTWGYGPEQL-WKILWMFISA-N 1 3 335.879 2.723 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)OC(C)(C)C)cc2)CCN1 ZINC001246482657 1314634988 /nfs/dbraw/zinc/63/49/88/1314634988.db2.gz HOXGLCGQQBCOPT-DOTOQJQBSA-N 1 3 348.487 2.680 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1)N1CCCCC1 ZINC001020151140 1314637439 /nfs/dbraw/zinc/63/74/39/1314637439.db2.gz MOVBQIZGHNFHBO-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO Oc1ccc(Br)c(CCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246501717 1314638637 /nfs/dbraw/zinc/63/86/37/1314638637.db2.gz CFNCHJKROYPUPK-FUNVUKJBSA-N 1 3 325.250 2.570 20 0 EFADHO C[NH2+]CC[C@@H](C)NC[C@@H]1COc2ccc(Br)cc2C1 ZINC001246513980 1314640466 /nfs/dbraw/zinc/64/04/66/1314640466.db2.gz ZDZSRXRFASKGMU-VXGBXAGGSA-N 1 3 327.266 2.588 20 0 EFADHO [NH3+][C@H]1CCCN(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC001246542512 1314644768 /nfs/dbraw/zinc/64/47/68/1314644768.db2.gz PTJSVGIICWAKSX-INIZCTEOSA-N 1 3 335.879 2.758 20 0 EFADHO CC1(C)C[C@H]([N@@H+]2CCCC[C@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562607 1314649263 /nfs/dbraw/zinc/64/92/63/1314649263.db2.gz UPKOXBOUAWBTJV-CTNGQTDRSA-N 1 3 345.531 2.605 20 0 EFADHO CC1(C)C[C@H]([N@H+]2CCCC[C@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562607 1314649269 /nfs/dbraw/zinc/64/92/69/1314649269.db2.gz UPKOXBOUAWBTJV-CTNGQTDRSA-N 1 3 345.531 2.605 20 0 EFADHO CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562609 1314649346 /nfs/dbraw/zinc/64/93/46/1314649346.db2.gz UPKOXBOUAWBTJV-PZJWPPBQSA-N 1 3 345.531 2.605 20 0 EFADHO CC1(C)C[C@@H]([N@H+]2CCCC[C@@](O)(CN)C2)CCN1Cc1ccccc1 ZINC001246562609 1314649349 /nfs/dbraw/zinc/64/93/49/1314649349.db2.gz UPKOXBOUAWBTJV-PZJWPPBQSA-N 1 3 345.531 2.605 20 0 EFADHO NC[C@@H]1CCCC[N@@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579184 1314651155 /nfs/dbraw/zinc/65/11/55/1314651155.db2.gz BABSDIAWNAYOQV-PKOBYXMFSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@@H]1CCCC[N@H+]([C@@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579184 1314651158 /nfs/dbraw/zinc/65/11/58/1314651158.db2.gz BABSDIAWNAYOQV-PKOBYXMFSA-N 1 3 329.488 2.742 20 0 EFADHO C[C@@]1(CN)CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587935 1314652050 /nfs/dbraw/zinc/65/20/50/1314652050.db2.gz WXVAXXBRKQBRNP-ICSRJNTNSA-N 1 3 329.488 2.742 20 0 EFADHO C[C@@]1(CN)CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC001246587935 1314652055 /nfs/dbraw/zinc/65/20/55/1314652055.db2.gz WXVAXXBRKQBRNP-ICSRJNTNSA-N 1 3 329.488 2.742 20 0 EFADHO COC(=O)[C@@H]1CC[C@@H](C)N([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C1 ZINC001246592766 1314653639 /nfs/dbraw/zinc/65/36/39/1314653639.db2.gz QPBNWGLEUQGDPP-OQIJWPOYSA-N 1 3 330.472 2.623 20 0 EFADHO CCOC(=O)[C@@]12CN([C@@H](C)Cc3ccc(F)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001246596167 1314654440 /nfs/dbraw/zinc/65/44/40/1314654440.db2.gz PHJHTPZIFHFTPV-KNBMTAEXSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001246596167 1314654445 /nfs/dbraw/zinc/65/44/45/1314654445.db2.gz PHJHTPZIFHFTPV-KNBMTAEXSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](C)Cc3ccc(F)cc3)C[C@@H]1CNCCC2 ZINC001246596167 1314654450 /nfs/dbraw/zinc/65/44/50/1314654450.db2.gz PHJHTPZIFHFTPV-KNBMTAEXSA-N 1 3 348.462 2.621 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](CC)Cc3ccccc3)C[C@@H]1CNCCC2 ZINC001246601025 1314655341 /nfs/dbraw/zinc/65/53/41/1314655341.db2.gz FVXOXNPFERHEDQ-ZJOUEHCJSA-N 1 3 344.499 2.872 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](CC)Cc3ccccc3)C[C@@H]1CNCCC2 ZINC001246601025 1314655342 /nfs/dbraw/zinc/65/53/42/1314655342.db2.gz FVXOXNPFERHEDQ-ZJOUEHCJSA-N 1 3 344.499 2.872 20 0 EFADHO CCOC(=O)[C@H]1CC2(CN1[C@H](C)Cc1ccc(C)cc1)CC[NH2+]CC2 ZINC001246604599 1314656238 /nfs/dbraw/zinc/65/62/38/1314656238.db2.gz ROZPKXXKTWUALR-IEBWSBKVSA-N 1 3 344.499 2.933 20 0 EFADHO c1ccc(CC2CCC([N@@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246618863 1314657987 /nfs/dbraw/zinc/65/79/87/1314657987.db2.gz NKFVTZRCKNDLRV-JSRAGOMMSA-N 1 3 327.516 2.814 20 0 EFADHO c1ccc(CC2CCC([N@H+]3CCN[C@H]4CCNCC[C@@H]43)CC2)cc1 ZINC001246618863 1314657991 /nfs/dbraw/zinc/65/79/91/1314657991.db2.gz NKFVTZRCKNDLRV-JSRAGOMMSA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H](CC(C)(C)SCc1ccco1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246621687 1314658252 /nfs/dbraw/zinc/65/82/52/1314658252.db2.gz FUTRMBOPNJWFJR-ZMSDIMECSA-N 1 3 338.517 2.990 20 0 EFADHO CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCNC3(CCC3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674498 1314668961 /nfs/dbraw/zinc/66/89/61/1314668961.db2.gz UKDLYRZGKUENSK-XDNAFOTISA-N 1 3 334.504 2.962 20 0 EFADHO CCOC(=O)[C@H]1C[N@H+]([C@H]2CCNC3(CCC3)C2)C[C@H]2CCCC[C@@H]12 ZINC001246674498 1314668964 /nfs/dbraw/zinc/66/89/64/1314668964.db2.gz UKDLYRZGKUENSK-XDNAFOTISA-N 1 3 334.504 2.962 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692092 1314671996 /nfs/dbraw/zinc/67/19/96/1314671996.db2.gz MVLZMIACAFPQKP-LZQZEXGQSA-N 1 3 334.435 2.760 20 0 EFADHO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+]1CC[C@@]2(C1)CNCC[C@H]2F ZINC001246692092 1314671999 /nfs/dbraw/zinc/67/19/99/1314671999.db2.gz MVLZMIACAFPQKP-LZQZEXGQSA-N 1 3 334.435 2.760 20 0 EFADHO C[C@@H]1C[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CC[NH2+]1 ZINC001246705558 1314674825 /nfs/dbraw/zinc/67/48/25/1314674825.db2.gz AMUSJHRZJMSFIJ-JTDSTZFVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705558 1314674829 /nfs/dbraw/zinc/67/48/29/1314674829.db2.gz AMUSJHRZJMSFIJ-JTDSTZFVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)CCN1 ZINC001246705558 1314674834 /nfs/dbraw/zinc/67/48/34/1314674834.db2.gz AMUSJHRZJMSFIJ-JTDSTZFVSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CCN1 ZINC001246728145 1314676381 /nfs/dbraw/zinc/67/63/81/1314676381.db2.gz RVABGGTXCOBIJR-JKSUJKDBSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CCN(C(=O)c4cccs4)C3)CC2)CC[NH2+]1 ZINC001246728145 1314676385 /nfs/dbraw/zinc/67/63/85/1314676385.db2.gz RVABGGTXCOBIJR-JKSUJKDBSA-N 1 3 347.528 2.817 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759769 1314678307 /nfs/dbraw/zinc/67/83/07/1314678307.db2.gz ONXDALMUWWSAOQ-YGVXNNAISA-N 1 3 345.462 2.863 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)CCN1 ZINC001246759769 1314678311 /nfs/dbraw/zinc/67/83/11/1314678311.db2.gz ONXDALMUWWSAOQ-YGVXNNAISA-N 1 3 345.462 2.863 20 0 EFADHO CC1(C)C[C@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246771438 1314678653 /nfs/dbraw/zinc/67/86/53/1314678653.db2.gz MUPBRAJRABMXJP-QGZVFWFLSA-N 1 3 345.535 2.652 20 0 EFADHO CC[C@@H]1C[C@H](N2CCCn3cnc(CNC4CCCC4)c3C2)CC[NH2+]1 ZINC001246772778 1314678733 /nfs/dbraw/zinc/67/87/33/1314678733.db2.gz QEYNTJWVZBBIPT-SJLPKXTDSA-N 1 3 345.535 2.652 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CCN([C@@H]3CC[NH2+][C@H](C)C3)C2)C1=O ZINC001246772624 1314679053 /nfs/dbraw/zinc/67/90/53/1314679053.db2.gz BRAFWWMTDFAVTR-LZJOCLMNSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+]([C@@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772624 1314679056 /nfs/dbraw/zinc/67/90/56/1314679056.db2.gz BRAFWWMTDFAVTR-LZJOCLMNSA-N 1 3 341.499 2.773 20 0 EFADHO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H]3CCN[C@H](C)C3)C2)C1=O ZINC001246772624 1314679060 /nfs/dbraw/zinc/67/90/60/1314679060.db2.gz BRAFWWMTDFAVTR-LZJOCLMNSA-N 1 3 341.499 2.773 20 0 EFADHO Cc1ccc(N2C[C@]3(CCN([C@H]4CC[NH2+][C@H](C)C4)C3)CC2=O)cc1 ZINC001246781270 1314681532 /nfs/dbraw/zinc/68/15/32/1314681532.db2.gz RLVURTZIJQBDJZ-IMFGXOCKSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@@H+]([C@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781270 1314681536 /nfs/dbraw/zinc/68/15/36/1314681536.db2.gz RLVURTZIJQBDJZ-IMFGXOCKSA-N 1 3 327.472 2.564 20 0 EFADHO Cc1ccc(N2C[C@]3(CC[N@H+]([C@H]4CCN[C@H](C)C4)C3)CC2=O)cc1 ZINC001246781270 1314681538 /nfs/dbraw/zinc/68/15/38/1314681538.db2.gz RLVURTZIJQBDJZ-IMFGXOCKSA-N 1 3 327.472 2.564 20 0 EFADHO O=C(OC1CCC([N@@H+]2CCCC3(CNC3)C2)CC1)c1ccccc1 ZINC001246794016 1314683688 /nfs/dbraw/zinc/68/36/88/1314683688.db2.gz YGZTZHQYHQOMTC-UHFFFAOYSA-N 1 3 328.456 2.840 20 0 EFADHO O=C(OC1CCC([N@H+]2CCCC3(CNC3)C2)CC1)c1ccccc1 ZINC001246794016 1314683691 /nfs/dbraw/zinc/68/36/91/1314683691.db2.gz YGZTZHQYHQOMTC-UHFFFAOYSA-N 1 3 328.456 2.840 20 0 EFADHO O=C(OC1CCC(N2CCCC3(C[NH2+]C3)C2)CC1)c1ccccc1 ZINC001246794016 1314683695 /nfs/dbraw/zinc/68/36/95/1314683695.db2.gz YGZTZHQYHQOMTC-UHFFFAOYSA-N 1 3 328.456 2.840 20 0 EFADHO C[C@@H]1CC[C@H](N2CCN[C@@H](c3cccc(Br)c3)C2)C[NH2+]1 ZINC001246805936 1314685525 /nfs/dbraw/zinc/68/55/25/1314685525.db2.gz LPWXZMLTKNALPI-UHOFOFEASA-N 1 3 338.293 2.536 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N)C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806614 1314685653 /nfs/dbraw/zinc/68/56/53/1314685653.db2.gz XWTXOMYJTQMARX-DQOAATFDSA-N 1 3 342.483 2.635 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N)C[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806614 1314685654 /nfs/dbraw/zinc/68/56/54/1314685654.db2.gz XWTXOMYJTQMARX-DQOAATFDSA-N 1 3 342.483 2.635 20 0 EFADHO C[C@H]1C[C@@H](N2CCN[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC001246806868 1314686411 /nfs/dbraw/zinc/68/64/11/1314686411.db2.gz OMUDFCNGPFNTCW-RCBQFDQVSA-N 1 3 338.293 2.536 20 0 EFADHO CC(C)[C@@H]1C[C@@H](N(Cc2ccccc2)[C@@H]2CCNC[C@H]2F)CC[NH2+]1 ZINC001246835395 1314692461 /nfs/dbraw/zinc/69/24/61/1314692461.db2.gz RVEPULOJZCAWIJ-ZGXWSNOMSA-N 1 3 333.495 2.965 20 0 EFADHO COCCC[N@H+](C1CCNCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246835332 1314692476 /nfs/dbraw/zinc/69/24/76/1314692476.db2.gz JERDMHORBDATJH-KRWDZBQOSA-N 1 3 338.442 2.913 20 0 EFADHO COCCC[N@@H+](C1CCNCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246835332 1314692479 /nfs/dbraw/zinc/69/24/79/1314692479.db2.gz JERDMHORBDATJH-KRWDZBQOSA-N 1 3 338.442 2.913 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087791 1314693681 /nfs/dbraw/zinc/69/36/81/1314693681.db2.gz OAYPNBJKYVQLHM-IEBWSBKVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087791 1314693685 /nfs/dbraw/zinc/69/36/85/1314693685.db2.gz OAYPNBJKYVQLHM-IEBWSBKVSA-N 1 3 335.536 2.972 20 0 EFADHO C[C@H](Cc1ccc(C(F)(F)F)cc1)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246860930 1314698477 /nfs/dbraw/zinc/69/84/77/1314698477.db2.gz OVMMRZYJFYNVSE-ILMGOGQSSA-N 1 3 328.378 2.542 20 0 EFADHO CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN([C@H]3CC[NH2+][C@@H](C)C3)C1)C2 ZINC001246870356 1314699430 /nfs/dbraw/zinc/69/94/30/1314699430.db2.gz ACQVYGJBHKKMIC-CQSHLORDSA-N 1 3 342.483 2.722 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246878642 1314702561 /nfs/dbraw/zinc/70/25/61/1314702561.db2.gz SMCWMAULTRTAKE-DSLXNQLJSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246878642 1314702564 /nfs/dbraw/zinc/70/25/64/1314702564.db2.gz SMCWMAULTRTAKE-DSLXNQLJSA-N 1 3 330.472 2.938 20 0 EFADHO COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CCN[C@@H](C)C1 ZINC001246878642 1314702568 /nfs/dbraw/zinc/70/25/68/1314702568.db2.gz SMCWMAULTRTAKE-DSLXNQLJSA-N 1 3 330.472 2.938 20 0 EFADHO c1csc([C@H]2C[NH2+]CCN2[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001246886350 1314703300 /nfs/dbraw/zinc/70/33/00/1314703300.db2.gz QMAUFCLCJOJDNA-ZWKOTPCHSA-N 1 3 327.497 2.969 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)C1C[C@@H](C)N[C@H](C)C1 ZINC001246893166 1314704876 /nfs/dbraw/zinc/70/48/76/1314704876.db2.gz UVGKQIJFXAKESX-BZUAXINKSA-N 1 3 328.497 2.586 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916378 1314707581 /nfs/dbraw/zinc/70/75/81/1314707581.db2.gz RPWPCEZMEOMXOV-IRXDYDNUSA-N 1 3 341.421 2.924 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCNCC2)CCN1 ZINC001246916378 1314707586 /nfs/dbraw/zinc/70/75/86/1314707586.db2.gz RPWPCEZMEOMXOV-IRXDYDNUSA-N 1 3 341.421 2.924 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099343 1314714148 /nfs/dbraw/zinc/71/41/48/1314714148.db2.gz VMZACDYDDPLANF-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099343 1314714154 /nfs/dbraw/zinc/71/41/54/1314714154.db2.gz VMZACDYDDPLANF-FUHWJXTLSA-N 1 3 332.492 2.701 20 0 EFADHO COC(=O)c1ccc(C[C@H](C)N(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001246976799 1314722011 /nfs/dbraw/zinc/72/20/11/1314722011.db2.gz WGJIRVIZPNYVLL-RDJZCZTQSA-N 1 3 330.472 2.868 20 0 EFADHO Nc1ccncc1CN1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001276713915 1314727413 /nfs/dbraw/zinc/72/74/13/1314727413.db2.gz USMQZSRBTJVPDB-HXUWFJFHSA-N 1 3 339.487 2.700 20 0 EFADHO Nc1ccncc1CN1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001276713915 1314727414 /nfs/dbraw/zinc/72/74/14/1314727414.db2.gz USMQZSRBTJVPDB-HXUWFJFHSA-N 1 3 339.487 2.700 20 0 EFADHO COC(=O)c1ccc(CC2CC[NH+]([C@H]3CCN[C@H](C)C3)CC2)cc1 ZINC001246996615 1314727628 /nfs/dbraw/zinc/72/76/28/1314727628.db2.gz HICPIWPCNDVJQE-BEFAXECRSA-N 1 3 330.472 2.868 20 0 EFADHO COC(=O)c1ccc(CC2CCN([C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC001246996615 1314727630 /nfs/dbraw/zinc/72/76/30/1314727630.db2.gz HICPIWPCNDVJQE-BEFAXECRSA-N 1 3 330.472 2.868 20 0 EFADHO Clc1ccc2c(c1)[C@@H]1CN([C@H]3CSC4(C[NH2+]C4)C3)CC[C@@H]1N2 ZINC001247003487 1314728933 /nfs/dbraw/zinc/72/89/33/1314728933.db2.gz NOHAVXIGWSLMDD-INWMFGNUSA-N 1 3 335.904 2.771 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([N@@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013531 1314730507 /nfs/dbraw/zinc/73/05/07/1314730507.db2.gz ZKZXAWWBVKYTMR-GOEBONIOSA-N 1 3 339.405 2.764 20 0 EFADHO FC(F)(F)[C@H]1C[C@@H]([N@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013531 1314730509 /nfs/dbraw/zinc/73/05/09/1314730509.db2.gz ZKZXAWWBVKYTMR-GOEBONIOSA-N 1 3 339.405 2.764 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013532 1314731091 /nfs/dbraw/zinc/73/10/91/1314731091.db2.gz ZKZXAWWBVKYTMR-HOCLYGCPSA-N 1 3 339.405 2.764 20 0 EFADHO FC(F)(F)[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C23CCNCC3)CCN1 ZINC001247013532 1314731096 /nfs/dbraw/zinc/73/10/96/1314731096.db2.gz ZKZXAWWBVKYTMR-HOCLYGCPSA-N 1 3 339.405 2.764 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc4cc(Cl)ccc4[nH]3)[C@@H]2C1 ZINC001276714487 1314735894 /nfs/dbraw/zinc/73/58/94/1314735894.db2.gz YAUYKABHIBHROM-IFXJQAMLSA-N 1 3 346.906 2.889 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc4cc(Cl)ccc4[nH]3)[C@@H]2C1 ZINC001276714487 1314735897 /nfs/dbraw/zinc/73/58/97/1314735897.db2.gz YAUYKABHIBHROM-IFXJQAMLSA-N 1 3 346.906 2.889 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001214847845 1314746677 /nfs/dbraw/zinc/74/66/77/1314746677.db2.gz VGXATHOYWSNOOO-FVDXIBTGSA-N 1 3 341.499 2.621 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001214861336 1314749939 /nfs/dbraw/zinc/74/99/39/1314749939.db2.gz RGBYAWNYYZTVCN-JACSLDNWSA-N 1 3 341.499 2.621 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1)N(C)C ZINC001214904698 1314755884 /nfs/dbraw/zinc/75/58/84/1314755884.db2.gz FECVZDYJUOSRQY-QRQLOZEOSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001214997682 1314767219 /nfs/dbraw/zinc/76/72/19/1314767219.db2.gz LRCVIEICFDRFLX-QLFBSQMISA-N 1 3 345.478 2.589 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001214997648 1314767603 /nfs/dbraw/zinc/76/76/03/1314767603.db2.gz KTJRCJDYCAQJPN-GPQLOAJWSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001215002063 1314767957 /nfs/dbraw/zinc/76/79/57/1314767957.db2.gz XXLZABUBSYJADN-FXKMFSNRSA-N 1 3 343.515 2.867 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001215002064 1314768161 /nfs/dbraw/zinc/76/81/61/1314768161.db2.gz XXLZABUBSYJADN-GNCUJFGWSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](CN)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000401119830 1314796808 /nfs/dbraw/zinc/79/68/08/1314796808.db2.gz NWJWAOMINCVKQH-QBPKDAKJSA-N 1 3 339.524 2.843 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1CCCCCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001038269991 1314830954 /nfs/dbraw/zinc/83/09/54/1314830954.db2.gz RLXUWKCRLLZSPT-PMACEKPBSA-N 1 3 347.547 2.879 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@@H+]1C ZINC001038278050 1314835130 /nfs/dbraw/zinc/83/51/30/1314835130.db2.gz UBVABKNGADDHOW-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCC2CCCCC2)CC[N@H+]1C ZINC001038278050 1314835135 /nfs/dbraw/zinc/83/51/35/1314835135.db2.gz UBVABKNGADDHOW-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001215536433 1314846766 /nfs/dbraw/zinc/84/67/66/1314846766.db2.gz RIUFRPHZXIHXDN-VDEUGAHYSA-N 1 3 341.499 2.621 20 0 EFADHO CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540842 1314847709 /nfs/dbraw/zinc/84/77/09/1314847709.db2.gz RNDHXXUYKSBMAK-MDZRGWNJSA-N 1 3 339.499 2.602 20 0 EFADHO Cc1ccc(-c2ccc(-c3noc([C@@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830053 1314848904 /nfs/dbraw/zinc/84/89/04/1314848904.db2.gz LEICJWVPKNDGNV-SFHVURJKSA-N 1 3 346.434 2.988 20 0 EFADHO CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551155 1314851112 /nfs/dbraw/zinc/85/11/12/1314851112.db2.gz LRCWTKMUDOYNQT-BTFXCVNISA-N 1 3 335.536 2.901 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001215571836 1314852120 /nfs/dbraw/zinc/85/21/20/1314852120.db2.gz XDCHIVZWZXCXGM-RLLQIKCJSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)CCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568376 1314852289 /nfs/dbraw/zinc/85/22/89/1314852289.db2.gz NSUVREVEXUMNDL-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCc1ccccc1 ZINC001215563635 1314852380 /nfs/dbraw/zinc/85/23/80/1314852380.db2.gz KHQHTVMFSNPFOU-IEBWSBKVSA-N 1 3 345.531 2.644 20 0 EFADHO CCCCCC[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215567661 1314852560 /nfs/dbraw/zinc/85/25/60/1314852560.db2.gz CJERAQGYKKFJNR-IAGOWNOFSA-N 1 3 325.541 2.981 20 0 EFADHO Fc1ccccc1CC[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001276725953 1314856697 /nfs/dbraw/zinc/85/66/97/1314856697.db2.gz HKWYNOJPQRHLQG-UHFFFAOYSA-N 1 3 342.462 2.663 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001215989924 1314898224 /nfs/dbraw/zinc/89/82/24/1314898224.db2.gz OHUGAYZKBNYAKB-CXAGYDPISA-N 1 3 337.533 2.643 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001215998990 1314898710 /nfs/dbraw/zinc/89/87/10/1314898710.db2.gz KSAJQPHYZRUXMV-UYAOXDASSA-N 1 3 345.531 2.788 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001216001615 1314899316 /nfs/dbraw/zinc/89/93/16/1314899316.db2.gz GDABOPOKRBFTEO-MDASCCDHSA-N 1 3 347.478 2.591 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001216002539 1314899715 /nfs/dbraw/zinc/89/97/15/1314899715.db2.gz UPLKEOYKLNIPHT-ZHALLVOQSA-N 1 3 331.504 2.834 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2C)C1 ZINC001216001651 1314900091 /nfs/dbraw/zinc/90/00/91/1314900091.db2.gz HFXABBBRSNIAIS-UYAOXDASSA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)c1ccccc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406220 1314910219 /nfs/dbraw/zinc/91/02/19/1314910219.db2.gz BPAWESVDGLEWQJ-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001038406220 1314910222 /nfs/dbraw/zinc/91/02/22/1314910222.db2.gz BPAWESVDGLEWQJ-AZUAARDMSA-N 1 3 343.515 2.985 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001216212645 1314927777 /nfs/dbraw/zinc/92/77/77/1314927777.db2.gz BOKDKAOOBVTBRJ-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)c2ccccc2F)C1 ZINC001216212645 1314927782 /nfs/dbraw/zinc/92/77/82/1314927782.db2.gz BOKDKAOOBVTBRJ-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001038440244 1314932568 /nfs/dbraw/zinc/93/25/68/1314932568.db2.gz BOZNRHULPGLCHC-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCN1CC1CC(C)(C)C1 ZINC001038440244 1314932575 /nfs/dbraw/zinc/93/25/75/1314932575.db2.gz BOZNRHULPGLCHC-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1noc2ccc(CN3CCN(CC4CC[NH+](C)CC4)CC3)cc12 ZINC001248712118 1314955375 /nfs/dbraw/zinc/95/53/75/1314955375.db2.gz HVCCAOUSRCJXDP-UHFFFAOYSA-N 1 3 342.487 2.596 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001216499477 1314963377 /nfs/dbraw/zinc/96/33/77/1314963377.db2.gz KPQSCFPZBARZJU-UYAOXDASSA-N 1 3 345.531 2.890 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001216511550 1314964871 /nfs/dbraw/zinc/96/48/71/1314964871.db2.gz TZGCKQPHOSIPFU-OXQOHEQNSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001216511584 1314965021 /nfs/dbraw/zinc/96/50/21/1314965021.db2.gz VHSAUJCXXKFWFX-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2CC)C1 ZINC001216511145 1314965173 /nfs/dbraw/zinc/96/51/73/1314965173.db2.gz KCEPAZNZLKBFGL-YLJYHZDGSA-N 1 3 345.531 2.570 20 0 EFADHO Cc1nc(F)ccc1CN1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001276742477 1314966732 /nfs/dbraw/zinc/96/67/32/1314966732.db2.gz XWQSYGSEJMXHTD-UHFFFAOYSA-N 1 3 348.510 2.769 20 0 EFADHO Cc1nc(F)ccc1CN1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001276742477 1314966735 /nfs/dbraw/zinc/96/67/35/1314966735.db2.gz XWQSYGSEJMXHTD-UHFFFAOYSA-N 1 3 348.510 2.769 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(CN(CCCc3ccc(Cl)cc3)C2)C1 ZINC001276746210 1314993231 /nfs/dbraw/zinc/99/32/31/1314993231.db2.gz AINPPHMVSAGDIH-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO CN(C)CC[N@H+]1CCC2(CN(CCCc3ccc(Cl)cc3)C2)C1 ZINC001276746210 1314993235 /nfs/dbraw/zinc/99/32/35/1314993235.db2.gz AINPPHMVSAGDIH-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828992 1315012913 /nfs/dbraw/zinc/01/29/13/1315012913.db2.gz RXOIKBMDMXERAU-IIDMSEBBSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829204 1315013100 /nfs/dbraw/zinc/01/31/00/1315013100.db2.gz RXOIKBMDMXERAU-RVKKMQEKSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]C/C=C\Cl ZINC001216829492 1315013197 /nfs/dbraw/zinc/01/31/97/1315013197.db2.gz YRAOFTSAOMDNTM-GXYHLBQZSA-N 1 3 335.879 2.551 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]C/C=C/Cl ZINC001216829493 1315013328 /nfs/dbraw/zinc/01/33/28/1315013328.db2.gz YRAOFTSAOMDNTM-TXDDUOMGSA-N 1 3 335.879 2.551 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)C1 ZINC000404880867 1315017234 /nfs/dbraw/zinc/01/72/34/1315017234.db2.gz BHKAIHLQFBPRBN-KFWWJZLASA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)c1ccc2c(CN3CC4(C3)CC[NH+](C)CC4)c[nH]c2c1 ZINC001249158032 1315027234 /nfs/dbraw/zinc/02/72/34/1315027234.db2.gz CXAPULAQQONMPN-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO c1cc([C@H]2CCC[NH2+]2)ccc1-c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001217117420 1315036190 /nfs/dbraw/zinc/03/61/90/1315036190.db2.gz YEIPMBCWKMZDCH-MRXNPFEDSA-N 1 3 347.422 2.869 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2)CC[N@@H+]1C ZINC001038631720 1315051710 /nfs/dbraw/zinc/05/17/10/1315051710.db2.gz BEAIQOLGEKMXQX-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCCc2ccccc2)CC[N@H+]1C ZINC001038631720 1315051714 /nfs/dbraw/zinc/05/17/14/1315051714.db2.gz BEAIQOLGEKMXQX-YSIASYRMSA-N 1 3 343.515 2.540 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCN2CCC2CCCCCC2)CC1 ZINC001038661982 1315072636 /nfs/dbraw/zinc/07/26/36/1315072636.db2.gz IJSVVRZDNHMLLK-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccc(C)c([C@@H](C)N2CC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001038672528 1315084870 /nfs/dbraw/zinc/08/48/70/1315084870.db2.gz XRZNHEGDFNVKOP-IEBWSBKVSA-N 1 3 343.515 2.897 20 0 EFADHO CC1CC(CN2CC[C@@H]2CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001038702619 1315108775 /nfs/dbraw/zinc/10/87/75/1315108775.db2.gz FOFOSJGPICMURF-OUNSHVDWSA-N 1 3 343.515 2.641 20 0 EFADHO CC(C)Oc1ccc(-c2nnc(CNCC3CC[NH2+]CC3)o2)cc1 ZINC001217756867 1315110613 /nfs/dbraw/zinc/11/06/13/1315110613.db2.gz ASMPMMQKJXFETG-UHFFFAOYSA-N 1 3 330.432 2.613 20 0 EFADHO CC1(C)CN(Cc2ccccc2)C[C@@](C)(CO[C@H]2C=CC[NH2+]C2)O1 ZINC001217882226 1315119255 /nfs/dbraw/zinc/11/92/55/1315119255.db2.gz JCQFMPIRDJBZRP-ICSRJNTNSA-N 1 3 330.472 2.601 20 0 EFADHO CC1(C)CN(Cc2ccccc2)C[C@](C)(CO[C@H]2C=CC[NH2+]C2)O1 ZINC001217882225 1315119400 /nfs/dbraw/zinc/11/94/00/1315119400.db2.gz JCQFMPIRDJBZRP-AZUAARDMSA-N 1 3 330.472 2.601 20 0 EFADHO C[C@@H](CCCC(C)(C)O)CCN1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001276764648 1315125368 /nfs/dbraw/zinc/12/53/68/1315125368.db2.gz MCELHZIUCMNNAI-GBESFXJTSA-N 1 3 339.568 2.664 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001276783746 1315187210 /nfs/dbraw/zinc/18/72/10/1315187210.db2.gz RUUWGQUPXJYSOV-CALCHBBNSA-N 1 3 345.878 2.802 20 0 EFADHO Clc1ccc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cn1 ZINC001276783746 1315187211 /nfs/dbraw/zinc/18/72/11/1315187211.db2.gz RUUWGQUPXJYSOV-CALCHBBNSA-N 1 3 345.878 2.802 20 0 EFADHO [NH3+]C1CCN(Cc2ccccc2O[C@@H]2CNCc3ccccc32)CC1 ZINC001218489260 1315203672 /nfs/dbraw/zinc/20/36/72/1315203672.db2.gz NFWUWCCCORRSTL-OAQYLSRUSA-N 1 3 337.467 2.833 20 0 EFADHO N[C@H](CC(=O)Nc1cncc(C[NH3+])c1)c1cccc(Cl)c1Cl ZINC001218705407 1315233200 /nfs/dbraw/zinc/23/32/00/1315233200.db2.gz PUUYBHVGDQWGOD-CYBMUJFWSA-N 1 3 339.226 2.876 20 0 EFADHO Nc1cn(C(=O)[C@@H](N)C2CCCCC2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001218708682 1315233813 /nfs/dbraw/zinc/23/38/13/1315233813.db2.gz FUJWIJXLFYPCSU-KRWDZBQOSA-N 1 3 342.418 2.904 20 0 EFADHO CCN1CCN(Cc2ccc(NC(=O)C[C@@H]([NH3+])CC(C)C)cc2)CC1 ZINC001218845480 1315249613 /nfs/dbraw/zinc/24/96/13/1315249613.db2.gz BGVFLMIKESZIOH-SFHVURJKSA-N 1 3 346.519 2.526 20 0 EFADHO COc1ccc(C(C)=O)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)c1C ZINC001218903107 1315257789 /nfs/dbraw/zinc/25/77/89/1315257789.db2.gz FFKNYQWGQGGCRW-INIZCTEOSA-N 1 3 349.475 2.640 20 0 EFADHO CCN(CC)c1ccc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C)c1 ZINC001218924443 1315259896 /nfs/dbraw/zinc/25/98/96/1315259896.db2.gz YSRZRJIBWIFXRZ-KRWDZBQOSA-N 1 3 334.508 2.839 20 0 EFADHO CC(C)c1ccc(OC[C@H](O)CNC2CC[NH+](C3CC3)CC2)cc1 ZINC001250777541 1315263133 /nfs/dbraw/zinc/26/31/33/1315263133.db2.gz LRJSQJQIHZAZRO-LJQANCHMSA-N 1 3 332.488 2.766 20 0 EFADHO COc1cc2c(cc1NC(=O)[C@@H](N)CCC[NH3+])oc1ccccc12 ZINC001218964605 1315265776 /nfs/dbraw/zinc/26/57/76/1315265776.db2.gz XOQWMEMJPMIGDP-ZDUSSCGKSA-N 1 3 327.384 2.599 20 0 EFADHO Cc1ccnc2cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)ccc12 ZINC001218982884 1315268612 /nfs/dbraw/zinc/26/86/12/1315268612.db2.gz GLLLGAWAGZOKAZ-KRWDZBQOSA-N 1 3 328.460 2.977 20 0 EFADHO N[C@@H](Cc1cccc2ccccc21)C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218993480 1315269639 /nfs/dbraw/zinc/26/96/39/1315269639.db2.gz PEGHNWRKNCORDP-IBGZPJMESA-N 1 3 331.419 2.952 20 0 EFADHO Cc1nc2cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)c(C)cc2s1 ZINC001219105547 1315281531 /nfs/dbraw/zinc/28/15/31/1315281531.db2.gz LOJAGTQQDFUHBV-ZDUSSCGKSA-N 1 3 334.489 2.911 20 0 EFADHO C[C@@H]1CCN[C@@H](C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)C1 ZINC001219128838 1315283610 /nfs/dbraw/zinc/28/36/10/1315283610.db2.gz IPAAAUBXMVXPJF-CXAGYDPISA-N 1 3 349.450 2.531 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001276806000 1315323310 /nfs/dbraw/zinc/32/33/10/1315323310.db2.gz FZEBYEOVCPLJFP-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)ccn1 ZINC001276806000 1315323314 /nfs/dbraw/zinc/32/33/14/1315323314.db2.gz FZEBYEOVCPLJFP-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001219649074 1315331660 /nfs/dbraw/zinc/33/16/60/1315331660.db2.gz DZXSJIZOFOMNIK-MISXGVKJSA-N 1 3 344.286 2.745 20 0 EFADHO C[C@H]1C[NH2+]C[C@H](CNC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)C1 ZINC001219649073 1315331855 /nfs/dbraw/zinc/33/18/55/1315331855.db2.gz DZXSJIZOFOMNIK-JTNHKYCSSA-N 1 3 344.286 2.745 20 0 EFADHO C[NH2+][C@@H](CC(C)C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668878 1315334711 /nfs/dbraw/zinc/33/47/11/1315334711.db2.gz COOMWXAVIMDWCZ-FQEVSTJZSA-N 1 3 345.531 2.691 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001219669363 1315334719 /nfs/dbraw/zinc/33/47/19/1315334719.db2.gz VUTWRWFIVTVRST-WOJBJXKFSA-N 1 3 343.515 2.575 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054140128 1315354098 /nfs/dbraw/zinc/35/40/98/1315354098.db2.gz ACIXEWXBNFKILX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001054140128 1315354101 /nfs/dbraw/zinc/35/41/01/1315354101.db2.gz ACIXEWXBNFKILX-ICSRJNTNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054140837 1315355197 /nfs/dbraw/zinc/35/51/97/1315355197.db2.gz AADDSNOXKKISMK-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054140837 1315355201 /nfs/dbraw/zinc/35/52/01/1315355201.db2.gz AADDSNOXKKISMK-AZUAARDMSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC001219998875 1315363864 /nfs/dbraw/zinc/36/38/64/1315363864.db2.gz DRXMEAKMZYIWGK-TZIWHRDSSA-N 1 3 343.515 2.966 20 0 EFADHO [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCCCC1 ZINC001219998766 1315364393 /nfs/dbraw/zinc/36/43/93/1315364393.db2.gz BAPCXJRUBJMVBK-OALUTQOASA-N 1 3 329.488 2.847 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC001220062127 1315369715 /nfs/dbraw/zinc/36/97/15/1315369715.db2.gz MXJXNSLWHSPMTI-MJGOQNOKSA-N 1 3 331.504 2.554 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(C)c1 ZINC001220062127 1315369720 /nfs/dbraw/zinc/36/97/20/1315369720.db2.gz MXJXNSLWHSPMTI-MJGOQNOKSA-N 1 3 331.504 2.554 20 0 EFADHO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC2CCC2)CC1 ZINC001251743078 1315374493 /nfs/dbraw/zinc/37/44/93/1315374493.db2.gz NJPDZFUZFUPOMH-IBGZPJMESA-N 1 3 332.488 2.589 20 0 EFADHO N[C@@H](C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC001220163806 1315377693 /nfs/dbraw/zinc/37/76/93/1315377693.db2.gz VMJRQFIGTDUWPO-NJJFQNEDSA-N 1 3 345.531 2.569 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054154390 1315379097 /nfs/dbraw/zinc/37/90/97/1315379097.db2.gz TYYINGPSQJMUNZ-GDBMZVCRSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054154390 1315379102 /nfs/dbraw/zinc/37/91/02/1315379102.db2.gz TYYINGPSQJMUNZ-GDBMZVCRSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054154876 1315380491 /nfs/dbraw/zinc/38/04/91/1315380491.db2.gz XLUIPQKWJHEQQF-IEBWSBKVSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054154876 1315380495 /nfs/dbraw/zinc/38/04/95/1315380495.db2.gz XLUIPQKWJHEQQF-IEBWSBKVSA-N 1 3 349.544 2.903 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001220254733 1315390669 /nfs/dbraw/zinc/39/06/69/1315390669.db2.gz VRHHZXLMDGIXAP-CQSZACIVSA-N 1 3 345.409 2.799 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H](C)c1cc(F)cc(F)c1 ZINC001220377224 1315404565 /nfs/dbraw/zinc/40/45/65/1315404565.db2.gz OMYDYPYZBOBYOZ-WBMJQRKESA-N 1 3 327.419 2.638 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@H+](CC3CCC3)C2)C1)N1CCCC1 ZINC001054173462 1315408907 /nfs/dbraw/zinc/40/89/07/1315408907.db2.gz BVDMHGZCJLBTKG-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCC[C@]2(CC[N@@H+](CC3CCC3)C2)C1)N1CCCC1 ZINC001054173462 1315408909 /nfs/dbraw/zinc/40/89/09/1315408909.db2.gz BVDMHGZCJLBTKG-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC(C)(C)C2)c1 ZINC001039039926 1315413330 /nfs/dbraw/zinc/41/33/30/1315413330.db2.gz LUYXUCOHQGJRPS-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+]2CC2CC(C)(C)C2)c1 ZINC001039039926 1315413334 /nfs/dbraw/zinc/41/33/34/1315413334.db2.gz LUYXUCOHQGJRPS-IBGZPJMESA-N 1 3 343.515 2.989 20 0 EFADHO O=C(N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220440839 1315413774 /nfs/dbraw/zinc/41/37/74/1315413774.db2.gz KKWFYUCAEJFYQC-RBUKOAKNSA-N 1 3 341.499 2.908 20 0 EFADHO O=C(N[C@H](c1ccccc1)C1CCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220440839 1315413776 /nfs/dbraw/zinc/41/37/76/1315413776.db2.gz KKWFYUCAEJFYQC-RBUKOAKNSA-N 1 3 341.499 2.908 20 0 EFADHO N[C@H](CC(=O)NCC1([NH3+])CCCC1)c1ccc(Cl)cc1Cl ZINC001220496466 1315420652 /nfs/dbraw/zinc/42/06/52/1315420652.db2.gz DDRQPTXJHNHIII-CYBMUJFWSA-N 1 3 330.259 2.771 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001039050988 1315423319 /nfs/dbraw/zinc/42/33/19/1315423319.db2.gz QXYRXAISOWFIBX-GOSISDBHSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001039050988 1315423322 /nfs/dbraw/zinc/42/33/22/1315423322.db2.gz QXYRXAISOWFIBX-GOSISDBHSA-N 1 3 343.515 2.989 20 0 EFADHO Cc1cc([C@H](C)NC(=O)[C@@H](N)CCCC[NH+](C)C)ccc1Cl ZINC001220557180 1315425696 /nfs/dbraw/zinc/42/56/96/1315425696.db2.gz CYWFKOQCLZVOHE-BBRMVZONSA-N 1 3 325.884 2.885 20 0 EFADHO O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCC[C@H](c2ccccc2)N1 ZINC001220680523 1315439584 /nfs/dbraw/zinc/43/95/84/1315439584.db2.gz GXCQAOBTYNKYJI-ICBNADEASA-N 1 3 327.472 2.659 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@H+](CC4CCCC4)C3)C2)C1 ZINC001054198071 1315442877 /nfs/dbraw/zinc/44/28/77/1315442877.db2.gz PAWZBWZTOLVLAH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)C1 ZINC001054198071 1315442881 /nfs/dbraw/zinc/44/28/81/1315442881.db2.gz PAWZBWZTOLVLAH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3ccccc32)C1 ZINC001252393941 1315444596 /nfs/dbraw/zinc/44/45/96/1315444596.db2.gz HJWBXFWPGDCRIA-AEFFLSMTSA-N 1 3 328.456 2.511 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc3ccccc32)C1 ZINC001252393941 1315444600 /nfs/dbraw/zinc/44/46/00/1315444600.db2.gz HJWBXFWPGDCRIA-AEFFLSMTSA-N 1 3 328.456 2.511 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H](O)COc1cccc2ccccc21 ZINC001252405111 1315447783 /nfs/dbraw/zinc/44/77/83/1315447783.db2.gz BMGAPRHOAAAAPU-HHXXYDBFSA-N 1 3 328.456 2.509 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](O)COc1cccc2ccccc21 ZINC001252405111 1315447787 /nfs/dbraw/zinc/44/77/87/1315447787.db2.gz BMGAPRHOAAAAPU-HHXXYDBFSA-N 1 3 328.456 2.509 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)NCc1c(Cl)ccc(Cl)c1Cl ZINC001220816409 1315453291 /nfs/dbraw/zinc/45/32/91/1315453291.db2.gz LSKYHQAPCLLZMV-NSHDSACASA-N 1 3 338.666 2.719 20 0 EFADHO CC1(C)CC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001054205848 1315454551 /nfs/dbraw/zinc/45/45/51/1315454551.db2.gz YQDDKTCFEWMDIC-FQEVSTJZSA-N 1 3 344.503 2.703 20 0 EFADHO CC1(C)CC(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2c[nH]cn2)C3)C1 ZINC001054205848 1315454554 /nfs/dbraw/zinc/45/45/54/1315454554.db2.gz YQDDKTCFEWMDIC-FQEVSTJZSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)C[C@@H](N)c1cccc(Cl)c1Cl ZINC001220859842 1315458514 /nfs/dbraw/zinc/45/85/14/1315458514.db2.gz OVDOCZJYSYSZDO-NEPJUHHUSA-N 1 3 332.275 2.873 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054209563 1315460745 /nfs/dbraw/zinc/46/07/45/1315460745.db2.gz SMCAQBYTRRLDNW-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054209563 1315460747 /nfs/dbraw/zinc/46/07/47/1315460747.db2.gz SMCAQBYTRRLDNW-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)cc2ccccc21 ZINC001276817713 1315468248 /nfs/dbraw/zinc/46/82/48/1315468248.db2.gz KCIFIYJLTTVLRB-KDURUIRLSA-N 1 3 339.483 2.756 20 0 EFADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001221159678 1315487744 /nfs/dbraw/zinc/48/77/44/1315487744.db2.gz JTDTUTQQUMYAFS-SFHVURJKSA-N 1 3 343.515 2.554 20 0 EFADHO Cc1ccccc1CC(C)(C)CNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001221159678 1315487748 /nfs/dbraw/zinc/48/77/48/1315487748.db2.gz JTDTUTQQUMYAFS-SFHVURJKSA-N 1 3 343.515 2.554 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC001039117442 1315494514 /nfs/dbraw/zinc/49/45/14/1315494514.db2.gz WYNHKGCDIJGZNF-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001039117442 1315494516 /nfs/dbraw/zinc/49/45/16/1315494516.db2.gz WYNHKGCDIJGZNF-VQTJNVASSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)P(CCNC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)C(C)C ZINC001221254545 1315498418 /nfs/dbraw/zinc/49/84/18/1315498418.db2.gz PSNIAZVFBFCTSN-CQSZACIVSA-N 1 3 346.452 2.851 20 0 EFADHO CC(C)P(CCNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)C(C)C ZINC001221254899 1315498631 /nfs/dbraw/zinc/49/86/31/1315498631.db2.gz ZHZCRLWCGKQAQV-FUHWJXTLSA-N 1 3 342.464 2.950 20 0 EFADHO C[NH+]1CCC2(CN(C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC001252757060 1315501966 /nfs/dbraw/zinc/50/19/66/1315501966.db2.gz QFLXDFCTDRFDTB-GOSISDBHSA-N 1 3 346.515 2.751 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1 ZINC001221295812 1315505236 /nfs/dbraw/zinc/50/52/36/1315505236.db2.gz RFRUHCTYMMNAKP-QFBILLFUSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001221295812 1315505238 /nfs/dbraw/zinc/50/52/38/1315505238.db2.gz RFRUHCTYMMNAKP-QFBILLFUSA-N 1 3 343.515 2.937 20 0 EFADHO CCC[C@@H](O)C[NH+]1CCC2(C[C@H](N(C)Cc3ccccc3)CO2)CC1 ZINC001252782318 1315506956 /nfs/dbraw/zinc/50/69/56/1315506956.db2.gz OOCVAPUHQKDBKP-VQTJNVASSA-N 1 3 346.515 2.903 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCc2c1c(F)ccc2F ZINC001221363037 1315514974 /nfs/dbraw/zinc/51/49/74/1315514974.db2.gz IHYCDTMCPBJGDD-HOTGVXAUSA-N 1 3 339.430 2.564 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132669 1315516218 /nfs/dbraw/zinc/51/62/18/1315516218.db2.gz BRTMQSFHVMVMGS-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132669 1315516219 /nfs/dbraw/zinc/51/62/19/1315516219.db2.gz BRTMQSFHVMVMGS-WOJBJXKFSA-N 1 3 347.547 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133708 1315516779 /nfs/dbraw/zinc/51/67/79/1315516779.db2.gz KRPRLERZKOAVLD-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133708 1315516785 /nfs/dbraw/zinc/51/67/85/1315516785.db2.gz KRPRLERZKOAVLD-UXHICEINSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133707 1315517195 /nfs/dbraw/zinc/51/71/95/1315517195.db2.gz KRPRLERZKOAVLD-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC001039133707 1315517198 /nfs/dbraw/zinc/51/71/98/1315517198.db2.gz KRPRLERZKOAVLD-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)N(C(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1)C(C)(C)C[NH3+] ZINC001221394344 1315519414 /nfs/dbraw/zinc/51/94/14/1315519414.db2.gz MWHJOXMIRDODJT-KRWDZBQOSA-N 1 3 349.519 2.708 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039135625 1315520149 /nfs/dbraw/zinc/52/01/49/1315520149.db2.gz HGNFIHBIALJFJM-AQBSSDIKSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039135625 1315520153 /nfs/dbraw/zinc/52/01/53/1315520153.db2.gz HGNFIHBIALJFJM-AQBSSDIKSA-N 1 3 341.927 2.640 20 0 EFADHO O=C(NC[C@@H]1Cc2ccccc2CN1)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC001221399387 1315520736 /nfs/dbraw/zinc/52/07/36/1315520736.db2.gz BLZQBYWEVWPZGC-VQTJNVASSA-N 1 3 335.451 2.555 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135236 1315520846 /nfs/dbraw/zinc/52/08/46/1315520846.db2.gz ZDVQUZCFMANOAO-RBUKOAKNSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC001039135236 1315520847 /nfs/dbraw/zinc/52/08/47/1315520847.db2.gz ZDVQUZCFMANOAO-RBUKOAKNSA-N 1 3 335.536 2.543 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CC[N@H+](CCC4CC4)C3)CC2)CCC1 ZINC001039138934 1315526429 /nfs/dbraw/zinc/52/64/29/1315526429.db2.gz YTSLGWLECCLNCU-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC([C@H]3CC[N@@H+](CCC4CC4)C3)CC2)CCC1 ZINC001039138934 1315526434 /nfs/dbraw/zinc/52/64/34/1315526434.db2.gz YTSLGWLECCLNCU-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)N(C)C ZINC001054297972 1315535725 /nfs/dbraw/zinc/53/57/25/1315535725.db2.gz HKZANTRSLOZFNO-MISYRCLQSA-N 1 3 343.515 2.841 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153684 1315548328 /nfs/dbraw/zinc/54/83/28/1315548328.db2.gz FLFCYXSIIHPTKL-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)C1 ZINC001039153684 1315548331 /nfs/dbraw/zinc/54/83/31/1315548331.db2.gz FLFCYXSIIHPTKL-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253020711 1315554676 /nfs/dbraw/zinc/55/46/76/1315554676.db2.gz VAOVPZSAAVGMOF-OYSTVDSJSA-N 1 3 326.525 2.795 20 0 EFADHO CCCC[C@H](CC)COC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253020711 1315554681 /nfs/dbraw/zinc/55/46/81/1315554681.db2.gz VAOVPZSAAVGMOF-OYSTVDSJSA-N 1 3 326.525 2.795 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159033 1315555143 /nfs/dbraw/zinc/55/51/43/1315555143.db2.gz AWDCTARQEWTKES-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001039159033 1315555148 /nfs/dbraw/zinc/55/51/48/1315555148.db2.gz AWDCTARQEWTKES-LJQANCHMSA-N 1 3 349.563 2.935 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039159211 1315555673 /nfs/dbraw/zinc/55/56/73/1315555673.db2.gz HGNFIHBIALJFJM-CAXWLTTCSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1)N(C)C ZINC001039159211 1315555676 /nfs/dbraw/zinc/55/56/76/1315555676.db2.gz HGNFIHBIALJFJM-CAXWLTTCSA-N 1 3 341.927 2.640 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001039163628 1315561635 /nfs/dbraw/zinc/56/16/35/1315561635.db2.gz DWUYPTPIODKIQA-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001039163628 1315561640 /nfs/dbraw/zinc/56/16/40/1315561640.db2.gz DWUYPTPIODKIQA-FXAWDEMLSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039164478 1315564240 /nfs/dbraw/zinc/56/42/40/1315564240.db2.gz GOWQBMMSJNNZMQ-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039164478 1315564243 /nfs/dbraw/zinc/56/42/43/1315564243.db2.gz GOWQBMMSJNNZMQ-IBGZPJMESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@H+](CC4CCC4)C3)CC2)C1 ZINC001039166119 1315564879 /nfs/dbraw/zinc/56/48/79/1315564879.db2.gz VQRSKRLMKMOFJF-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@H]3CC[N@@H+](CC4CCC4)C3)CC2)C1 ZINC001039166119 1315564883 /nfs/dbraw/zinc/56/48/83/1315564883.db2.gz VQRSKRLMKMOFJF-PXNSSMCTSA-N 1 3 347.547 2.689 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC2(C[C@H](c3ccccc3)CO2)CC1 ZINC001253184689 1315577789 /nfs/dbraw/zinc/57/77/89/1315577789.db2.gz IWKOKLYOYYHCHM-VQTJNVASSA-N 1 3 346.515 2.728 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCOCC1 ZINC001253208696 1315580553 /nfs/dbraw/zinc/58/05/53/1315580553.db2.gz ANEWJWLSJWNKTO-OALUTQOASA-N 1 3 338.467 2.586 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCCc1cccc2ccc(OC)cc21 ZINC001253213546 1315581879 /nfs/dbraw/zinc/58/18/79/1315581879.db2.gz MQZKVLAHWIIACA-GOSISDBHSA-N 1 3 330.472 2.683 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039179469 1315585991 /nfs/dbraw/zinc/58/59/91/1315585991.db2.gz AETDCSVPOKCVGV-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CCC3)C2)CC1)N(C)C ZINC001039179469 1315585994 /nfs/dbraw/zinc/58/59/94/1315585994.db2.gz AETDCSVPOKCVGV-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179766 1315586412 /nfs/dbraw/zinc/58/64/12/1315586412.db2.gz FLFCYXSIIHPTKL-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CCCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)C1 ZINC001039179766 1315586413 /nfs/dbraw/zinc/58/64/13/1315586413.db2.gz FLFCYXSIIHPTKL-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039180960 1315588382 /nfs/dbraw/zinc/58/83/82/1315588382.db2.gz ZQSFIUPDJWSICL-MOPGFXCFSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039180960 1315588383 /nfs/dbraw/zinc/58/83/83/1315588383.db2.gz ZQSFIUPDJWSICL-MOPGFXCFSA-N 1 3 335.536 2.543 20 0 EFADHO CC[N@@H+]1CC[C@@H](C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001039181903 1315588873 /nfs/dbraw/zinc/58/88/73/1315588873.db2.gz DJZPFUUZGNUZNK-HXUWFJFHSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001039181903 1315588875 /nfs/dbraw/zinc/58/88/75/1315588875.db2.gz DJZPFUUZGNUZNK-HXUWFJFHSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@@H+]1CC[C@H](C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001039181902 1315589070 /nfs/dbraw/zinc/58/90/70/1315589070.db2.gz DJZPFUUZGNUZNK-FQEVSTJZSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@H](C2CCN(C(=O)c3cccc(CN(C)C)c3)CC2)C1 ZINC001039181902 1315589074 /nfs/dbraw/zinc/58/90/74/1315589074.db2.gz DJZPFUUZGNUZNK-FQEVSTJZSA-N 1 3 343.515 2.942 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001039182175 1315589710 /nfs/dbraw/zinc/58/97/10/1315589710.db2.gz KIXKEVNOAOMPLK-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001039182175 1315589712 /nfs/dbraw/zinc/58/97/12/1315589712.db2.gz KIXKEVNOAOMPLK-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CCOCc2ccccc2)C1 ZINC001253288680 1315590207 /nfs/dbraw/zinc/59/02/07/1315590207.db2.gz AJJYFSOLUWCSFJ-SBHAEUEKSA-N 1 3 348.531 2.912 20 0 EFADHO O[C@H](CCOCc1ccccc1)C[NH2+]CCc1c[nH]c2ccncc12 ZINC001253293317 1315590455 /nfs/dbraw/zinc/59/04/55/1315590455.db2.gz DEXBRVIVKJXUJL-GOSISDBHSA-N 1 3 339.439 2.663 20 0 EFADHO COc1cccc2c1CC[C@@H](CCCNC[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253411354 1315601739 /nfs/dbraw/zinc/60/17/39/1315601739.db2.gz JLKPFWYQSIIETM-AEFFLSMTSA-N 1 3 348.531 2.919 20 0 EFADHO COc1cccc2c1CC[C@@H](CCC[NH2+]C[C@H](O)CNC(C)(C)C)C2 ZINC001253411354 1315601742 /nfs/dbraw/zinc/60/17/42/1315601742.db2.gz JLKPFWYQSIIETM-AEFFLSMTSA-N 1 3 348.531 2.919 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3C2)cc1 ZINC001253455430 1315605888 /nfs/dbraw/zinc/60/58/88/1315605888.db2.gz WOPHKTHVTLQKRK-ZCNNSNEGSA-N 1 3 346.515 2.535 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3C2)cc1 ZINC001253455430 1315605892 /nfs/dbraw/zinc/60/58/92/1315605892.db2.gz WOPHKTHVTLQKRK-ZCNNSNEGSA-N 1 3 346.515 2.535 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC2CC2)C1)C1CCC1 ZINC001039213536 1315630255 /nfs/dbraw/zinc/63/02/55/1315630255.db2.gz LGXLHKOFGKUTMO-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCC2CC2)C1)C1CCC1 ZINC001039213536 1315630259 /nfs/dbraw/zinc/63/02/59/1315630259.db2.gz LGXLHKOFGKUTMO-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001000191851 1315647878 /nfs/dbraw/zinc/64/78/78/1315647878.db2.gz KOLUKQSLEYZLOM-CRAIPNDOSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001000192435 1315648128 /nfs/dbraw/zinc/64/81/28/1315648128.db2.gz MHHKYJZZXOUUQW-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)sc2C)C1)N(C)C ZINC001000224040 1315648870 /nfs/dbraw/zinc/64/88/70/1315648870.db2.gz HQAOEKHGBMDMPC-IRXDYDNUSA-N 1 3 337.533 2.786 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001000224974 1315649408 /nfs/dbraw/zinc/64/94/08/1315649408.db2.gz JJTOPYUSVGAVKB-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO COCC[C@@H]1CCCC[N@@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254037048 1315667428 /nfs/dbraw/zinc/66/74/28/1315667428.db2.gz NLDCGNZPUVKVHR-FQEVSTJZSA-N 1 3 346.515 2.905 20 0 EFADHO COCC[C@@H]1CCCC[N@H+]1CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254037048 1315667430 /nfs/dbraw/zinc/66/74/30/1315667430.db2.gz NLDCGNZPUVKVHR-FQEVSTJZSA-N 1 3 346.515 2.905 20 0 EFADHO CCO[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038129 1315667485 /nfs/dbraw/zinc/66/74/85/1315667485.db2.gz ZFZJUYOZLMQJLX-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CCO[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254038129 1315667486 /nfs/dbraw/zinc/66/74/86/1315667486.db2.gz ZFZJUYOZLMQJLX-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO C[N@H+](Cc1cccc(O)c1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034994 1315668011 /nfs/dbraw/zinc/66/80/11/1315668011.db2.gz QPEIFJQZDMZVAA-UHFFFAOYSA-N 1 3 340.467 2.851 20 0 EFADHO C[N@@H+](Cc1cccc(O)c1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254034994 1315668015 /nfs/dbraw/zinc/66/80/15/1315668015.db2.gz QPEIFJQZDMZVAA-UHFFFAOYSA-N 1 3 340.467 2.851 20 0 EFADHO OC1(C[N@@H+]2CCC[C@H](C(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038855 1315668317 /nfs/dbraw/zinc/66/83/17/1315668317.db2.gz QRJOGCZNMWVGCD-KRWDZBQOSA-N 1 3 338.442 2.991 20 0 EFADHO OC1(C[N@H+]2CCC[C@H](C(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038855 1315668320 /nfs/dbraw/zinc/66/83/20/1315668320.db2.gz QRJOGCZNMWVGCD-KRWDZBQOSA-N 1 3 338.442 2.991 20 0 EFADHO CC(C)O[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040445 1315668457 /nfs/dbraw/zinc/66/84/57/1315668457.db2.gz TZKHDYIDEOQAEC-LJQANCHMSA-N 1 3 332.488 2.513 20 0 EFADHO CC(C)O[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)C1 ZINC001254040445 1315668460 /nfs/dbraw/zinc/66/84/60/1315668460.db2.gz TZKHDYIDEOQAEC-LJQANCHMSA-N 1 3 332.488 2.513 20 0 EFADHO OC1(C[NH2+][C@H]2CCc3ncccc32)CCN(Cc2ccccc2)CC1 ZINC001254051371 1315669193 /nfs/dbraw/zinc/66/91/93/1315669193.db2.gz KXKBATBTYIJSEY-FQEVSTJZSA-N 1 3 337.467 2.686 20 0 EFADHO OC1(C[NH2+][C@@H]2CCc3ncccc32)CCN(Cc2ccccc2)CC1 ZINC001254051372 1315669406 /nfs/dbraw/zinc/66/94/06/1315669406.db2.gz KXKBATBTYIJSEY-HXUWFJFHSA-N 1 3 337.467 2.686 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001254199297 1315680377 /nfs/dbraw/zinc/68/03/77/1315680377.db2.gz MHGRLEMEQKPQQF-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001254199297 1315680380 /nfs/dbraw/zinc/68/03/80/1315680380.db2.gz MHGRLEMEQKPQQF-IKGGRYGDSA-N 1 3 337.508 2.660 20 0 EFADHO C[NH+]1CCC2(CN([C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254206565 1315681897 /nfs/dbraw/zinc/68/18/97/1315681897.db2.gz UZBKHRBUUHEQNK-MRXNPFEDSA-N 1 3 337.508 2.804 20 0 EFADHO CC(=O)N1CCC(N2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001254421629 1315702892 /nfs/dbraw/zinc/70/28/92/1315702892.db2.gz ZPXBMEODXCGJBT-UHFFFAOYSA-N 1 3 349.906 2.687 20 0 EFADHO CN1CCC[C@@H]([NH2+]C[C@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254499422 1315709907 /nfs/dbraw/zinc/70/99/07/1315709907.db2.gz FZTLWZQPSSTSSN-CRAIPNDOSA-N 1 3 343.487 2.800 20 0 EFADHO CN1CCC[C@@H]([NH2+]C[C@@]2(F)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254499426 1315709974 /nfs/dbraw/zinc/70/99/74/1315709974.db2.gz FZTLWZQPSSTSSN-QAPCUYQASA-N 1 3 343.487 2.800 20 0 EFADHO CN1CCC[C@@H]([NH2+]Cc2ccc(OC3CCOCC3)c(F)c2)CC1 ZINC001254507398 1315710643 /nfs/dbraw/zinc/71/06/43/1315710643.db2.gz LJWRBQQJKFBAQL-MRXNPFEDSA-N 1 3 336.451 2.957 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC001254504451 1315711216 /nfs/dbraw/zinc/71/12/16/1315711216.db2.gz BFMLDPAXHNFHEM-HUUCEWRRSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519079 1315713988 /nfs/dbraw/zinc/71/39/88/1315713988.db2.gz GMCVYFXTZOTANL-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519079 1315713990 /nfs/dbraw/zinc/71/39/90/1315713990.db2.gz GMCVYFXTZOTANL-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@H]1CC[N@@H+]([C@@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519080 1315714115 /nfs/dbraw/zinc/71/41/15/1315714115.db2.gz GMCVYFXTZOTANL-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@H]1CC[N@H+]([C@@H]2CCCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC001254519080 1315714116 /nfs/dbraw/zinc/71/41/16/1315714116.db2.gz GMCVYFXTZOTANL-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@H+]([C@H]4CCCN(C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714328 /nfs/dbraw/zinc/71/43/28/1315714328.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 1 3 327.516 2.843 20 0 EFADHO Cc1ccc(CN2C[C@@H]3C[N@@H+]([C@H]4CCCN(C)CC4)C[C@@H]3C2)cc1 ZINC001254519295 1315714331 /nfs/dbraw/zinc/71/43/31/1315714331.db2.gz RYOABLUVSFKVJT-HBMCJLEFSA-N 1 3 327.516 2.843 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519414 1315714534 /nfs/dbraw/zinc/71/45/34/1315714534.db2.gz IDPNULHFCINJKQ-QFBILLFUSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@H+]1CCC[C@H](N2CC[C@]3(CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC001254519414 1315714536 /nfs/dbraw/zinc/71/45/36/1315714536.db2.gz IDPNULHFCINJKQ-QFBILLFUSA-N 1 3 337.508 2.946 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001254522230 1315717032 /nfs/dbraw/zinc/71/70/32/1315717032.db2.gz MVCUUHZSYQLYHM-INIZCTEOSA-N 1 3 326.444 2.622 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCc3ncnc(-c4ccoc4)c3CC2)CC1 ZINC001254522230 1315717034 /nfs/dbraw/zinc/71/70/34/1315717034.db2.gz MVCUUHZSYQLYHM-INIZCTEOSA-N 1 3 326.444 2.622 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4CCC[N@@H+](C)CC4)C3)CC2=O)s1 ZINC001254524173 1315718440 /nfs/dbraw/zinc/71/84/40/1315718440.db2.gz YOKOOIUJNXZVLX-APWZRJJASA-N 1 3 347.528 2.970 20 0 EFADHO Cc1ccc(N2C[C@@]3(CCN([C@@H]4CCC[N@H+](C)CC4)C3)CC2=O)s1 ZINC001254524173 1315718444 /nfs/dbraw/zinc/71/84/44/1315718444.db2.gz YOKOOIUJNXZVLX-APWZRJJASA-N 1 3 347.528 2.970 20 0 EFADHO CN(C[C@H]1CCCN1[C@H]1CCC[N@H+](C)CC1)C(=O)OC(C)(C)C ZINC001254530651 1315718895 /nfs/dbraw/zinc/71/88/95/1315718895.db2.gz GZGCTHMXQBBYHD-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@H]1CCCN1[C@H]1CCC[N@@H+](C)CC1)C(=O)OC(C)(C)C ZINC001254530651 1315718900 /nfs/dbraw/zinc/71/89/00/1315718900.db2.gz GZGCTHMXQBBYHD-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@H](N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254531978 1315720388 /nfs/dbraw/zinc/72/03/88/1315720388.db2.gz OBPLOVBHKRJQQZ-DOTOQJQBSA-N 1 3 337.508 2.945 20 0 EFADHO C[N@H+]1CCC[C@H](N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254531978 1315720391 /nfs/dbraw/zinc/72/03/91/1315720391.db2.gz OBPLOVBHKRJQQZ-DOTOQJQBSA-N 1 3 337.508 2.945 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758354 1315744633 /nfs/dbraw/zinc/74/46/33/1315744633.db2.gz MURQHSITOMPZBI-HNNXBMFYSA-N 1 3 325.497 2.835 20 0 EFADHO CC(C)[N@H+](CCCN)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254758354 1315744631 /nfs/dbraw/zinc/74/46/31/1315744631.db2.gz MURQHSITOMPZBI-HNNXBMFYSA-N 1 3 325.497 2.835 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2 ZINC001254785428 1315745093 /nfs/dbraw/zinc/74/50/93/1315745093.db2.gz HCDVPSRKZMFYPT-INIZCTEOSA-N 1 3 349.519 2.804 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001039373817 1315746236 /nfs/dbraw/zinc/74/62/36/1315746236.db2.gz PRXBLIPRPNDFMO-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCN1C(C)C ZINC001039373817 1315746240 /nfs/dbraw/zinc/74/62/40/1315746240.db2.gz PRXBLIPRPNDFMO-CEXWTWQISA-N 1 3 335.536 2.971 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@H+](CCCF)C[C@H]32)c1 ZINC001050207407 1315749704 /nfs/dbraw/zinc/74/97/04/1315749704.db2.gz PIHUMAYCYDOUJR-RBUKOAKNSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3C[N@@H+](CCCF)C[C@H]32)c1 ZINC001050207407 1315749707 /nfs/dbraw/zinc/74/97/07/1315749707.db2.gz PIHUMAYCYDOUJR-RBUKOAKNSA-N 1 3 347.478 2.644 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207451 1315750162 /nfs/dbraw/zinc/75/01/62/1315750162.db2.gz RUSYRWJXIWCUEK-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC001050207451 1315750164 /nfs/dbraw/zinc/75/01/64/1315750164.db2.gz RUSYRWJXIWCUEK-VQTJNVASSA-N 1 3 343.515 2.941 20 0 EFADHO CCN(CC)CCC[NH2+][C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254882943 1315754608 /nfs/dbraw/zinc/75/46/08/1315754608.db2.gz NMOYYYPXXNSTLG-BJWYYQGGSA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)[N@H+](CCCN)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254887187 1315755149 /nfs/dbraw/zinc/75/51/49/1315755149.db2.gz OTGVGLVBRGUFIE-ZSHCYNCHSA-N 1 3 325.497 2.691 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254887187 1315755151 /nfs/dbraw/zinc/75/51/51/1315755151.db2.gz OTGVGLVBRGUFIE-ZSHCYNCHSA-N 1 3 325.497 2.691 20 0 EFADHO [NH3+]C1(Cc2ccc(F)cc2)CCN(C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254938833 1315761212 /nfs/dbraw/zinc/76/12/12/1315761212.db2.gz KKXQSUYXWYTGCA-HOTGVXAUSA-N 1 3 330.447 2.919 20 0 EFADHO CCC[NH+](CCC)CCN1CCN(C2Cc3ccccc3C2)CC1 ZINC001255027603 1315773517 /nfs/dbraw/zinc/77/35/17/1315773517.db2.gz XZYIJMTVMOLDRF-UHFFFAOYSA-N 1 3 329.532 2.893 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415285 1315776474 /nfs/dbraw/zinc/77/64/74/1315776474.db2.gz BVKSTSKVJSPNAZ-BBWFWOEESA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415285 1315776476 /nfs/dbraw/zinc/77/64/76/1315776476.db2.gz BVKSTSKVJSPNAZ-BBWFWOEESA-N 1 3 339.499 2.674 20 0 EFADHO COC(=O)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136906 1315780594 /nfs/dbraw/zinc/78/05/94/1315780594.db2.gz OKYSQYYOFPSVSZ-YRXWBPOGSA-N 1 3 328.456 2.677 20 0 EFADHO COC(=O)[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136906 1315780595 /nfs/dbraw/zinc/78/05/95/1315780595.db2.gz OKYSQYYOFPSVSZ-YRXWBPOGSA-N 1 3 328.456 2.677 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](Cc1ccsc1)CC2)N(C)C ZINC001050651944 1315789804 /nfs/dbraw/zinc/78/98/04/1315789804.db2.gz OFWPAELJRFMGDN-QGZVFWFLSA-N 1 3 349.544 2.759 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001039437678 1315791095 /nfs/dbraw/zinc/79/10/95/1315791095.db2.gz SXFVWEUTOYVBKH-GJYPPUQNSA-N 1 3 339.499 2.673 20 0 EFADHO CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001039437678 1315791098 /nfs/dbraw/zinc/79/10/98/1315791098.db2.gz SXFVWEUTOYVBKH-GJYPPUQNSA-N 1 3 339.499 2.673 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CCC(C)(C)C)CC3)C1 ZINC001050662566 1315792487 /nfs/dbraw/zinc/79/24/87/1315792487.db2.gz KPYZWZPTNLVCFF-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001050663413 1315793460 /nfs/dbraw/zinc/79/34/60/1315793460.db2.gz UDMOEFPIJZCJHP-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001039460335 1315806741 /nfs/dbraw/zinc/80/67/41/1315806741.db2.gz LOORDEAAKZOMKK-BACDZXNISA-N 1 3 344.503 2.799 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001039460335 1315806745 /nfs/dbraw/zinc/80/67/45/1315806745.db2.gz LOORDEAAKZOMKK-BACDZXNISA-N 1 3 344.503 2.799 20 0 EFADHO O=C(C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1)NC1CCCC1 ZINC001255384257 1315814252 /nfs/dbraw/zinc/81/42/52/1315814252.db2.gz WQSNMMJOKSEVMY-GOSISDBHSA-N 1 3 329.488 2.690 20 0 EFADHO CCOC(=O)[C@@H]1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255403800 1315817804 /nfs/dbraw/zinc/81/78/04/1315817804.db2.gz GXNZYPIGAZNVLL-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO CCOC(=O)[C@@H]1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255403800 1315817808 /nfs/dbraw/zinc/81/78/08/1315817808.db2.gz GXNZYPIGAZNVLL-MOPGFXCFSA-N 1 3 330.472 2.926 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255409648 1315818761 /nfs/dbraw/zinc/81/87/61/1315818761.db2.gz JYLIPHRWCZDJNL-HBMCJLEFSA-N 1 3 327.516 2.925 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001255409648 1315818764 /nfs/dbraw/zinc/81/87/64/1315818764.db2.gz JYLIPHRWCZDJNL-HBMCJLEFSA-N 1 3 327.516 2.925 20 0 EFADHO O=C1NC[C@@]2(CCC[N@@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407818 1315819219 /nfs/dbraw/zinc/81/92/19/1315819219.db2.gz FIOBDLIOPHCRIU-AZUAARDMSA-N 1 3 343.471 2.616 20 0 EFADHO O=C1NC[C@@]2(CCC[N@H+]([C@H]3CCCN(Cc4ccccc4)CC3)C2)O1 ZINC001255407818 1315819222 /nfs/dbraw/zinc/81/92/22/1315819222.db2.gz FIOBDLIOPHCRIU-AZUAARDMSA-N 1 3 343.471 2.616 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)[C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409863 1315819693 /nfs/dbraw/zinc/81/96/93/1315819693.db2.gz LWQBQWHZFJNVMC-SFTDATJTSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409863 1315819696 /nfs/dbraw/zinc/81/96/96/1315819696.db2.gz LWQBQWHZFJNVMC-SFTDATJTSA-N 1 3 343.515 2.984 20 0 EFADHO COC1CCC([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CC1 ZINC001255462372 1315826780 /nfs/dbraw/zinc/82/67/80/1315826780.db2.gz UEPZMDJEWRYHQE-UHFFFAOYSA-N 1 3 346.519 2.808 20 0 EFADHO CN1CCC[C@@H](N(c2ncccc2C(F)(F)F)C2CC[NH2+]CC2)C1 ZINC001255493670 1315831641 /nfs/dbraw/zinc/83/16/41/1315831641.db2.gz ALIPKODAPGOJMO-CQSZACIVSA-N 1 3 342.409 2.753 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH+](CC2CC2)CC2CC2)CC1 ZINC001039489112 1315838174 /nfs/dbraw/zinc/83/81/74/1315838174.db2.gz LEZGZDOKSMVDKM-MRXNPFEDSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001255634843 1315851206 /nfs/dbraw/zinc/85/12/06/1315851206.db2.gz IDWAOSMTHUZLRO-CQSZACIVSA-N 1 3 329.410 2.865 20 0 EFADHO COc1cccc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC001255682015 1315857549 /nfs/dbraw/zinc/85/75/49/1315857549.db2.gz HVXJKFHEWKPEBO-SJPCQFCGSA-N 1 3 345.487 2.949 20 0 EFADHO COc1cccc(OC2CCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC001255682015 1315857551 /nfs/dbraw/zinc/85/75/51/1315857551.db2.gz HVXJKFHEWKPEBO-SJPCQFCGSA-N 1 3 345.487 2.949 20 0 EFADHO Cc1cncnc1OC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255681669 1315857614 /nfs/dbraw/zinc/85/76/14/1315857614.db2.gz ANIOCUGFTSEJOZ-SJPCQFCGSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1OC1CCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255681669 1315857616 /nfs/dbraw/zinc/85/76/16/1315857616.db2.gz ANIOCUGFTSEJOZ-SJPCQFCGSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255681728 1315857868 /nfs/dbraw/zinc/85/78/68/1315857868.db2.gz DGJQYYDGNZYUQY-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1nccnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255681728 1315857872 /nfs/dbraw/zinc/85/78/72/1315857872.db2.gz DGJQYYDGNZYUQY-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)n1 ZINC001255681985 1315858143 /nfs/dbraw/zinc/85/81/43/1315858143.db2.gz GYQHTLGZQSFMKI-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1ccnc(O[C@H]2CCCN(C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)n1 ZINC001255681985 1315858145 /nfs/dbraw/zinc/85/81/45/1315858145.db2.gz GYQHTLGZQSFMKI-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255683658 1315859101 /nfs/dbraw/zinc/85/91/01/1315859101.db2.gz SVCVYVZPQBEHNV-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1O[C@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255683658 1315859103 /nfs/dbraw/zinc/85/91/03/1315859103.db2.gz SVCVYVZPQBEHNV-WFFDWFOESA-N 1 3 330.476 2.644 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255727335 1315862194 /nfs/dbraw/zinc/86/21/94/1315862194.db2.gz BQRKBCOPRJFXME-MRXNPFEDSA-N 1 3 339.524 2.922 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255727333 1315862383 /nfs/dbraw/zinc/86/23/83/1315862383.db2.gz BQRKBCOPRJFXME-INIZCTEOSA-N 1 3 339.524 2.922 20 0 EFADHO C[C@@H](CSc1ccc(F)cc1)N1CCN(CCCC[NH3+])CC1 ZINC001255737012 1315863068 /nfs/dbraw/zinc/86/30/68/1315863068.db2.gz FLIBYLPMEXNOCI-HNNXBMFYSA-N 1 3 325.497 2.663 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589594 1315880714 /nfs/dbraw/zinc/88/07/14/1315880714.db2.gz GDERQNJNBKTAIT-WTGUMLROSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1 ZINC001039589594 1315880717 /nfs/dbraw/zinc/88/07/17/1315880717.db2.gz GDERQNJNBKTAIT-WTGUMLROSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589410 1315880827 /nfs/dbraw/zinc/88/08/27/1315880827.db2.gz BPVPVOMXKBKPRF-ZGXWSNOMSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589410 1315880831 /nfs/dbraw/zinc/88/08/31/1315880831.db2.gz BPVPVOMXKBKPRF-ZGXWSNOMSA-N 1 3 345.531 2.726 20 0 EFADHO CCCN1C[C@@H]2C[N@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255919571 1315880997 /nfs/dbraw/zinc/88/09/97/1315880997.db2.gz NGTXSDSXNKAIOG-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO CCCN1C[C@@H]2C[N@@H+]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@@H]2C1 ZINC001255919571 1315880999 /nfs/dbraw/zinc/88/09/99/1315880999.db2.gz NGTXSDSXNKAIOG-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO CCC[N@H+]1C[C@H]2CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919571 1315881000 /nfs/dbraw/zinc/88/10/00/1315881000.db2.gz NGTXSDSXNKAIOG-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO CCC[N@@H+]1C[C@H]2CN([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001255919571 1315881002 /nfs/dbraw/zinc/88/10/02/1315881002.db2.gz NGTXSDSXNKAIOG-BBWFWOEESA-N 1 3 337.508 2.660 20 0 EFADHO COc1cccc(OC)c1CN1CCC([N@H+](CCCN)C(C)C)CC1 ZINC001255922219 1315881361 /nfs/dbraw/zinc/88/13/61/1315881361.db2.gz XCSDWCFQOJMQFY-UHFFFAOYSA-N 1 3 349.519 2.727 20 0 EFADHO COc1cccc(OC)c1CN1CCC([N@@H+](CCCN)C(C)C)CC1 ZINC001255922219 1315881363 /nfs/dbraw/zinc/88/13/63/1315881363.db2.gz XCSDWCFQOJMQFY-UHFFFAOYSA-N 1 3 349.519 2.727 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255940852 1315882453 /nfs/dbraw/zinc/88/24/53/1315882453.db2.gz HNSOLCUJYMQGGB-CVEARBPZSA-N 1 3 327.513 2.953 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001255939355 1315882702 /nfs/dbraw/zinc/88/27/02/1315882702.db2.gz CFTSHABCYRWJBQ-NCOADZHNSA-N 1 3 339.524 2.952 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CCc2c(ccc(=O)n2CC2CC2)C1 ZINC001255944652 1315883330 /nfs/dbraw/zinc/88/33/30/1315883330.db2.gz WUZOGTZHZUJHIF-LPHOPBHVSA-N 1 3 345.531 2.826 20 0 EFADHO CCN(CC)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001255945364 1315883444 /nfs/dbraw/zinc/88/34/44/1315883444.db2.gz DMVQXWMKDQDMAZ-NCOADZHNSA-N 1 3 339.524 2.952 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ccc(F)cn2)CCOCC1 ZINC001255952996 1315883706 /nfs/dbraw/zinc/88/37/06/1315883706.db2.gz HLWYSSNKAAWYHW-INIZCTEOSA-N 1 3 337.483 2.979 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccn2)CC1 ZINC001255954775 1315884341 /nfs/dbraw/zinc/88/43/41/1315884341.db2.gz ZZYHZJRXUFWNRO-BZSNNMDCSA-N 1 3 346.519 2.833 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)NCC1(c2cc(OC)ccn2)CCOCC1 ZINC001255954598 1315884402 /nfs/dbraw/zinc/88/44/02/1315884402.db2.gz YIEPUZWHFSRPCQ-QGZVFWFLSA-N 1 3 349.519 2.848 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+][C@@H]1CCN(c2ncnc3ccccc32)C1 ZINC001255954067 1315884552 /nfs/dbraw/zinc/88/45/52/1315884552.db2.gz RQLHQUHSSLIAPQ-DLBZAZTESA-N 1 3 341.503 2.919 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(C(=O)c2ccccn2)CC1 ZINC001255953758 1315884674 /nfs/dbraw/zinc/88/46/74/1315884674.db2.gz OCLFBHPXADDUMD-KRWDZBQOSA-N 1 3 346.519 2.644 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]CC1CCN(C(=O)c2cccnc2)CC1 ZINC001255954400 1315884828 /nfs/dbraw/zinc/88/48/28/1315884828.db2.gz WAPBDNHLOKOJSH-KRWDZBQOSA-N 1 3 346.519 2.644 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001255961424 1315886199 /nfs/dbraw/zinc/88/61/99/1315886199.db2.gz MFYXAPVNKOKKAW-OXJNMPFZSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001255961424 1315886203 /nfs/dbraw/zinc/88/62/03/1315886203.db2.gz MFYXAPVNKOKKAW-OXJNMPFZSA-N 1 3 329.488 2.727 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001255962923 1315886258 /nfs/dbraw/zinc/88/62/58/1315886258.db2.gz LQVHVQYJXQJOCF-CUWPLCDZSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001255962923 1315886261 /nfs/dbraw/zinc/88/62/61/1315886261.db2.gz LQVHVQYJXQJOCF-CUWPLCDZSA-N 1 3 343.515 2.713 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039644023 1315889107 /nfs/dbraw/zinc/88/91/07/1315889107.db2.gz KYSNIJYSCFJLGW-QRVBRYPASA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC1CC1 ZINC001039644023 1315889109 /nfs/dbraw/zinc/88/91/09/1315889109.db2.gz KYSNIJYSCFJLGW-QRVBRYPASA-N 1 3 333.520 2.725 20 0 EFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677791 1315893770 /nfs/dbraw/zinc/89/37/70/1315893770.db2.gz PYPYOFLUMNONNJ-HAGHYFMRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677791 1315893771 /nfs/dbraw/zinc/89/37/71/1315893771.db2.gz PYPYOFLUMNONNJ-HAGHYFMRSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677792 1315893788 /nfs/dbraw/zinc/89/37/88/1315893788.db2.gz PYPYOFLUMNONNJ-VNTMZGSJSA-N 1 3 345.531 2.869 20 0 EFADHO O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039677792 1315893791 /nfs/dbraw/zinc/89/37/91/1315893791.db2.gz PYPYOFLUMNONNJ-VNTMZGSJSA-N 1 3 345.531 2.869 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C1CCN(C2CC2)CC1 ZINC001256072333 1315899342 /nfs/dbraw/zinc/89/93/42/1315899342.db2.gz BQXDEJBOHMXWIH-MRXNPFEDSA-N 1 3 331.479 2.959 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C1CCN(C2CC2)CC1 ZINC001256072333 1315899345 /nfs/dbraw/zinc/89/93/45/1315899345.db2.gz BQXDEJBOHMXWIH-MRXNPFEDSA-N 1 3 331.479 2.959 20 0 EFADHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001256242896 1315922963 /nfs/dbraw/zinc/92/29/63/1315922963.db2.gz FPHDEGVJVWWTRM-QGZVFWFLSA-N 1 3 337.508 2.948 20 0 EFADHO CCOC(=O)N1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001256242896 1315922967 /nfs/dbraw/zinc/92/29/67/1315922967.db2.gz FPHDEGVJVWWTRM-QGZVFWFLSA-N 1 3 337.508 2.948 20 0 EFADHO CCOC(=O)N1CCC(N2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001256242896 1315922970 /nfs/dbraw/zinc/92/29/70/1315922970.db2.gz FPHDEGVJVWWTRM-QGZVFWFLSA-N 1 3 337.508 2.948 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379006 1315939905 /nfs/dbraw/zinc/93/99/05/1315939905.db2.gz ZLFLDNCANLAPSC-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001052379006 1315939907 /nfs/dbraw/zinc/93/99/07/1315939907.db2.gz ZLFLDNCANLAPSC-IRXDYDNUSA-N 1 3 341.515 2.970 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccn(C)c(=O)c2)CC[N@@H+]1Cc1ccccc1 ZINC001256526544 1315951397 /nfs/dbraw/zinc/95/13/97/1315951397.db2.gz MERFXEZMLAIXGG-VQIMIIECSA-N 1 3 325.456 2.528 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccn(C)c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC001256526544 1315951400 /nfs/dbraw/zinc/95/14/00/1315951400.db2.gz MERFXEZMLAIXGG-VQIMIIECSA-N 1 3 325.456 2.528 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256520913 1315951682 /nfs/dbraw/zinc/95/16/82/1315951682.db2.gz WBLUJSPUTMQTMS-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1C[C@@H](NCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256520913 1315951684 /nfs/dbraw/zinc/95/16/84/1315951684.db2.gz WBLUJSPUTMQTMS-MJGOQNOKSA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2([NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC001256554265 1315956466 /nfs/dbraw/zinc/95/64/66/1315956466.db2.gz AYZHPIMEESMQQJ-LIRRHRJNSA-N 1 3 337.508 2.848 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)[C@@H](C)C3)C[C@H]2C1 ZINC001256558697 1315959041 /nfs/dbraw/zinc/95/90/41/1315959041.db2.gz UJJFQGGZPMYVGL-OYNPSCLESA-N 1 3 327.516 2.923 20 0 EFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001256571816 1315961314 /nfs/dbraw/zinc/96/13/14/1315961314.db2.gz LAXTXCHZHPSZOU-AZUAARDMSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C)N1CCC([N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)CC1 ZINC001256571816 1315961317 /nfs/dbraw/zinc/96/13/17/1315961317.db2.gz LAXTXCHZHPSZOU-AZUAARDMSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C)N1CCC([N@@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001256571819 1315961510 /nfs/dbraw/zinc/96/15/10/1315961510.db2.gz LAXTXCHZHPSZOU-UYAOXDASSA-N 1 3 336.520 2.909 20 0 EFADHO CC(C)(C)N1CCC([N@H+]2CC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001256571819 1315961514 /nfs/dbraw/zinc/96/15/14/1315961514.db2.gz LAXTXCHZHPSZOU-UYAOXDASSA-N 1 3 336.520 2.909 20 0 EFADHO c1ccc(CN2CCC(N(c3ccccn3)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001256613112 1315969242 /nfs/dbraw/zinc/96/92/42/1315969242.db2.gz WOIRPGKTONZJNC-HXUWFJFHSA-N 1 3 336.483 2.915 20 0 EFADHO CCCN1C[C@H]2C[NH+](C3CCN(Cc4ccccc4)CC3)C[C@@H]2C1 ZINC001256613466 1315969351 /nfs/dbraw/zinc/96/93/51/1315969351.db2.gz NJPDQPWIRKURDA-PMACEKPBSA-N 1 3 327.516 2.925 20 0 EFADHO C[C@@H]1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001256622874 1315970834 /nfs/dbraw/zinc/97/08/34/1315970834.db2.gz LLQDXXDLHJZWCM-CTVHLWBWSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+](C2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001256622874 1315970836 /nfs/dbraw/zinc/97/08/36/1315970836.db2.gz LLQDXXDLHJZWCM-CTVHLWBWSA-N 1 3 337.508 2.847 20 0 EFADHO COC(=O)c1ccc([C@@H](C)[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256676304 1315979499 /nfs/dbraw/zinc/97/94/99/1315979499.db2.gz PNZWMQPSOIMGHG-VNCLNFNDSA-N 1 3 346.471 2.767 20 0 EFADHO FC(F)(F)c1ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)nc1 ZINC001256678524 1315980003 /nfs/dbraw/zinc/98/00/03/1315980003.db2.gz NOQOCWPWOLAMEF-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO COc1ccc(CCC[NH2+]C2CCC(N3CCOCC3)CC2)cc1 ZINC001256678152 1315980022 /nfs/dbraw/zinc/98/00/22/1315980022.db2.gz LPGNCZBPPAPHIN-UHFFFAOYSA-N 1 3 332.488 2.861 20 0 EFADHO c1cnc2ccc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2c1 ZINC001256678567 1315980151 /nfs/dbraw/zinc/98/01/51/1315980151.db2.gz ODONYMWWWNRKTC-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO Cn1c(C[NH2+]C2CCC(N3CCOCC3)CC2)cc2ccccc21 ZINC001256679010 1315980170 /nfs/dbraw/zinc/98/01/70/1315980170.db2.gz ZHXRNFWRABDUJQ-UHFFFAOYSA-N 1 3 327.472 2.911 20 0 EFADHO COc1cccc(OCCC[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256678848 1315980328 /nfs/dbraw/zinc/98/03/28/1315980328.db2.gz RWQPQCRKYXNXDC-UHFFFAOYSA-N 1 3 348.487 2.697 20 0 EFADHO c1ccc2c(c1)ccnc2C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256680074 1315980341 /nfs/dbraw/zinc/98/03/41/1315980341.db2.gz WWUBSCQSZSVBLM-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO C[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccc2c(c1)OCO2 ZINC001256681403 1315980759 /nfs/dbraw/zinc/98/07/59/1315980759.db2.gz TVBDTVKLXBUFSX-ODIFPOPNSA-N 1 3 332.444 2.709 20 0 EFADHO COc1cc2c(cc1C)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683150 1315980800 /nfs/dbraw/zinc/98/08/00/1315980800.db2.gz UCQWKWZSBOHHFA-GPJFCIFZSA-N 1 3 344.499 2.704 20 0 EFADHO COc1cccc2c1CC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256682191 1315980817 /nfs/dbraw/zinc/98/08/17/1315980817.db2.gz FUKZMKWVFJLHGY-RJYAGPCLSA-N 1 3 330.472 2.916 20 0 EFADHO COc1cccc2c1c(C[NH3+])cn2C1CCC(N2CCOCC2)CC1 ZINC001256685003 1315981339 /nfs/dbraw/zinc/98/13/39/1315981339.db2.gz WZAOZADXMUZHBK-UHFFFAOYSA-N 1 3 343.471 2.925 20 0 EFADHO COc1cccnc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687084 1315981422 /nfs/dbraw/zinc/98/14/22/1315981422.db2.gz MVARSZWXOYYVCW-FAFZWHIHSA-N 1 3 345.487 2.774 20 0 EFADHO Fc1cccnc1[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256686155 1315981604 /nfs/dbraw/zinc/98/16/04/1315981604.db2.gz JSZOCYLMUKIHCR-LEOMRAHMSA-N 1 3 333.451 2.905 20 0 EFADHO CCOc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)ccc1O ZINC001256683828 1315981632 /nfs/dbraw/zinc/98/16/32/1315981632.db2.gz ITLCDJSGFIJIEL-UHFFFAOYSA-N 1 3 334.460 2.524 20 0 EFADHO Fc1ccc2c(c1)C[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256687391 1315981666 /nfs/dbraw/zinc/98/16/66/1315981666.db2.gz UMWIKTWVGQZXHZ-IOJLRTSASA-N 1 3 332.463 2.916 20 0 EFADHO COc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256684199 1315981742 /nfs/dbraw/zinc/98/17/42/1315981742.db2.gz OJSWZYUSDKBBSQ-LADRWXRNSA-N 1 3 346.471 2.752 20 0 EFADHO Cc1ccnc(C2(C[NH2+]C3CCC(N4CCOCC4)CC3)CC2)c1 ZINC001256687523 1315982409 /nfs/dbraw/zinc/98/24/09/1315982409.db2.gz XQTSUQYCDVZCKC-UHFFFAOYSA-N 1 3 329.488 2.655 20 0 EFADHO C[C@@H](Cc1ccncc1)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001256720369 1315984692 /nfs/dbraw/zinc/98/46/92/1315984692.db2.gz CVPJZTXWQCMQAY-SFHVURJKSA-N 1 3 338.499 2.550 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039861076 1315986665 /nfs/dbraw/zinc/98/66/65/1315986665.db2.gz UUOMBPWITIDKJH-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)C1 ZINC001039861076 1315986668 /nfs/dbraw/zinc/98/66/68/1315986668.db2.gz UUOMBPWITIDKJH-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256797787 1315992424 /nfs/dbraw/zinc/99/24/24/1315992424.db2.gz DHMUQEJAXMEOQH-PMACEKPBSA-N 1 3 331.504 2.522 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256797788 1315992505 /nfs/dbraw/zinc/99/25/05/1315992505.db2.gz DHMUQEJAXMEOQH-UXHICEINSA-N 1 3 331.504 2.522 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815433 1315993744 /nfs/dbraw/zinc/99/37/44/1315993744.db2.gz AAVLGQNZTAGTMA-RTBURBONSA-N 1 3 348.487 2.724 20 0 EFADHO OC[C@@H](NC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1F ZINC001256856456 1315999925 /nfs/dbraw/zinc/99/99/25/1315999925.db2.gz NFSBULFTKDNPKM-GOSISDBHSA-N 1 3 333.382 2.652 20 0 EFADHO c1cc(N2CCC(N3CCc4cc5c(cc4C3)OCO5)CC2)cc[nH+]1 ZINC001256856248 1316000327 /nfs/dbraw/zinc/00/03/27/1316000327.db2.gz DJMIHYBJRAMYQJ-UHFFFAOYSA-N 1 3 337.423 2.837 20 0 EFADHO C[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CC(C)(C)C2)CC1 ZINC001039891754 1316005071 /nfs/dbraw/zinc/00/50/71/1316005071.db2.gz NNGPSDSRHQURNM-KDURUIRLSA-N 1 3 347.547 2.830 20 0 EFADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256907816 1316008168 /nfs/dbraw/zinc/00/81/68/1316008168.db2.gz JAHDHRTZHNRMTL-QZTJIDSGSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(C1CCCC1)N1CC[C@@H](N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256907816 1316008169 /nfs/dbraw/zinc/00/81/69/1316008169.db2.gz JAHDHRTZHNRMTL-QZTJIDSGSA-N 1 3 333.520 2.774 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001257035506 1316023642 /nfs/dbraw/zinc/02/36/42/1316023642.db2.gz DJUIASZYDDSAAH-MOPGFXCFSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001257040001 1316023825 /nfs/dbraw/zinc/02/38/25/1316023825.db2.gz NFBMAMUZEUMTGA-ROUUACIJSA-N 1 3 345.487 2.615 20 0 EFADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001257040003 1316024051 /nfs/dbraw/zinc/02/40/51/1316024051.db2.gz NFBMAMUZEUMTGA-ZWKOTPCHSA-N 1 3 345.487 2.615 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC1 ZINC001039962818 1316037208 /nfs/dbraw/zinc/03/72/08/1316037208.db2.gz ATMUIQYIWDZKRQ-BGYRXZFFSA-N 1 3 347.547 2.972 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001257160457 1316041162 /nfs/dbraw/zinc/04/11/62/1316041162.db2.gz AUHBXDGWTQHLQG-LZQZEXGQSA-N 1 3 330.472 2.678 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)[N@H+]2C[C@H]3CCN(C)C[C@H]3C2)cc1 ZINC001257160457 1316041163 /nfs/dbraw/zinc/04/11/63/1316041163.db2.gz AUHBXDGWTQHLQG-LZQZEXGQSA-N 1 3 330.472 2.678 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039972464 1316042373 /nfs/dbraw/zinc/04/23/73/1316042373.db2.gz NPPXFQPRBHCFJK-LWYYNNOASA-N 1 3 347.547 2.972 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC001257166969 1316042496 /nfs/dbraw/zinc/04/24/96/1316042496.db2.gz KWCXYMIEZOQWAG-OXJNMPFZSA-N 1 3 330.472 2.822 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC001257166969 1316042499 /nfs/dbraw/zinc/04/24/99/1316042499.db2.gz KWCXYMIEZOQWAG-OXJNMPFZSA-N 1 3 330.472 2.822 20 0 EFADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3cccnc3)CC2)CC1 ZINC001257856349 1316097431 /nfs/dbraw/zinc/09/74/31/1316097431.db2.gz GZSWJZOIVHHZPB-UHFFFAOYSA-N 1 3 345.487 2.615 20 0 EFADHO COC(=O)C1CCC(N2CCC([NH+]3CCC(F)CC3)CC2)CC1 ZINC001257865717 1316098935 /nfs/dbraw/zinc/09/89/35/1316098935.db2.gz ANRQSGLIFFDASH-UHFFFAOYSA-N 1 3 326.456 2.617 20 0 EFADHO CC(C)CN1CCC([NH2+]CCc2ccc(C(=O)N(C)C)cc2)CC1 ZINC001258008642 1316109302 /nfs/dbraw/zinc/10/93/02/1316109302.db2.gz BDTWQXYWCQQJGV-UHFFFAOYSA-N 1 3 331.504 2.641 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001258013970 1316110034 /nfs/dbraw/zinc/11/00/34/1316110034.db2.gz AMXSJNNHPKNDAZ-UXHICEINSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)CC1 ZINC001258013970 1316110037 /nfs/dbraw/zinc/11/00/37/1316110037.db2.gz AMXSJNNHPKNDAZ-UXHICEINSA-N 1 3 336.520 2.767 20 0 EFADHO CC(C)C[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC001258014705 1316110791 /nfs/dbraw/zinc/11/07/91/1316110791.db2.gz QXTSADCYHWIUAD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH+]1CCC(n2nc(C(F)(F)F)c3c2CCNC3)CC1 ZINC001258017561 1316111533 /nfs/dbraw/zinc/11/15/33/1316111533.db2.gz MDARXVZFJFWZIC-UHFFFAOYSA-N 1 3 330.398 2.841 20 0 EFADHO CCOC(=O)CCC[C@@H](C)[NH+]1CCC(N(CC)[C@@H]2CCOC2)CC1 ZINC001258124092 1316121613 /nfs/dbraw/zinc/12/16/13/1316121613.db2.gz GHQSBVVRPUXDFF-SJLPKXTDSA-N 1 3 340.508 2.684 20 0 EFADHO CCOC(=O)CCC[C@H](C)[NH+]1CCC(N(CC)[C@H]2CCOC2)CC1 ZINC001258124094 1316121691 /nfs/dbraw/zinc/12/16/91/1316121691.db2.gz GHQSBVVRPUXDFF-WMZOPIPTSA-N 1 3 340.508 2.684 20 0 EFADHO Oc1cccc([C@H](O)CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258136048 1316123815 /nfs/dbraw/zinc/12/38/15/1316123815.db2.gz YSHJOKHIASVNQK-OAQYLSRUSA-N 1 3 340.467 2.722 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H](C)C1 ZINC001258158981 1316125791 /nfs/dbraw/zinc/12/57/91/1316125791.db2.gz HSFUDLHRUGCDSX-DZFIZOCASA-N 1 3 345.531 2.635 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2CCc3ccc(=O)n(CCN(C)C)c3CC2)C[C@@H](C)C1 ZINC001258158981 1316125793 /nfs/dbraw/zinc/12/57/93/1316125793.db2.gz HSFUDLHRUGCDSX-DZFIZOCASA-N 1 3 345.531 2.635 20 0 EFADHO COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC001258350551 1316141948 /nfs/dbraw/zinc/14/19/48/1316141948.db2.gz BAYLEZDXBWUILL-JCHJZTRSSA-N 1 3 330.472 2.828 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@]3(CCN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001040240437 1316160262 /nfs/dbraw/zinc/16/02/62/1316160262.db2.gz FYLWUINEYVPLJG-NGICGMGXSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@]3(CCN(C(=O)CN(C)C4CCC4)C3)C2)C1 ZINC001040240437 1316160264 /nfs/dbraw/zinc/16/02/64/1316160264.db2.gz FYLWUINEYVPLJG-NGICGMGXSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241373 1316161387 /nfs/dbraw/zinc/16/13/87/1316161387.db2.gz NRVZACBNUTWIGJ-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040241373 1316161389 /nfs/dbraw/zinc/16/13/89/1316161389.db2.gz NRVZACBNUTWIGJ-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241887 1316162378 /nfs/dbraw/zinc/16/23/78/1316162378.db2.gz VGJQMXDZLVELIZ-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001040241887 1316162381 /nfs/dbraw/zinc/16/23/81/1316162381.db2.gz VGJQMXDZLVELIZ-FXAWDEMLSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1CC[NH2+][C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570768 1316163829 /nfs/dbraw/zinc/16/38/29/1316163829.db2.gz STLYSKUWKBQAPV-RTBURBONSA-N 1 3 329.488 2.642 20 0 EFADHO CCC[NH+]1CCC(NC2(CNC(=O)OC(C)(C)C)CCC2)CC1 ZINC001258770048 1316176054 /nfs/dbraw/zinc/17/60/54/1316176054.db2.gz RPVSYDGPKDIENZ-UHFFFAOYSA-N 1 3 325.497 2.898 20 0 EFADHO CCC[NH+]1CCC(N2CC[C@]3(C2)CCCN(c2ncccn2)C3)CC1 ZINC001258774196 1316177322 /nfs/dbraw/zinc/17/73/22/1316177322.db2.gz XEZLFKCMQOUYPC-FQEVSTJZSA-N 1 3 343.519 2.643 20 0 EFADHO CCC[NH+]1CCC(N2CC[C@@]3(C2)CCCN(c2ncccn2)C3)CC1 ZINC001258774204 1316177496 /nfs/dbraw/zinc/17/74/96/1316177496.db2.gz XEZLFKCMQOUYPC-HXUWFJFHSA-N 1 3 343.519 2.643 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)CC1 ZINC001258774329 1316177765 /nfs/dbraw/zinc/17/77/65/1316177765.db2.gz ZORRZSKRCSKLLJ-HBFSDRIKSA-N 1 3 345.487 2.567 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001258776652 1316177926 /nfs/dbraw/zinc/17/79/26/1316177926.db2.gz FFOUHNYIFRMGIV-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC001258776652 1316177929 /nfs/dbraw/zinc/17/79/29/1316177929.db2.gz FFOUHNYIFRMGIV-OAQYLSRUSA-N 1 3 345.531 2.694 20 0 EFADHO CCCN1CCC([N@@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001258776395 1316178296 /nfs/dbraw/zinc/17/82/96/1316178296.db2.gz AUVVZCAGBWEYQX-LJQANCHMSA-N 1 3 341.499 2.981 20 0 EFADHO CCCN1CCC([N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)CC1 ZINC001258776395 1316178297 /nfs/dbraw/zinc/17/82/97/1316178297.db2.gz AUVVZCAGBWEYQX-LJQANCHMSA-N 1 3 341.499 2.981 20 0 EFADHO CCN1C[C@@H]2C[N@H+]([C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C1 ZINC001258875552 1316187197 /nfs/dbraw/zinc/18/71/97/1316187197.db2.gz DZXZRIVOTHNPBF-BHYGNILZSA-N 1 3 348.487 2.527 20 0 EFADHO CCN1C[C@@H]2C[N@@H+]([C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2C1 ZINC001258875552 1316187199 /nfs/dbraw/zinc/18/71/99/1316187199.db2.gz DZXZRIVOTHNPBF-BHYGNILZSA-N 1 3 348.487 2.527 20 0 EFADHO COc1cc(C[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc(OC)c1OC ZINC001258878785 1316187578 /nfs/dbraw/zinc/18/75/78/1316187578.db2.gz ZDNAYWXNHRBNIA-HNNXBMFYSA-N 1 3 348.487 2.671 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)NCc1cn(Cc2ccncc2)cn1 ZINC001258904144 1316190752 /nfs/dbraw/zinc/19/07/52/1316190752.db2.gz DNNGEVKISDSBKC-KRWDZBQOSA-N 1 3 329.492 2.927 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CC2)C3)CC1 ZINC001040464121 1316280458 /nfs/dbraw/zinc/28/04/58/1316280458.db2.gz KUWIRQPOYSIZCA-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CC2)C3)CC1 ZINC001040464121 1316280460 /nfs/dbraw/zinc/28/04/60/1316280460.db2.gz KUWIRQPOYSIZCA-NRFANRHFSA-N 1 3 347.547 2.833 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC001040542892 1316315503 /nfs/dbraw/zinc/31/55/03/1316315503.db2.gz FOHXYNKJSSIQMK-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001040542892 1316315507 /nfs/dbraw/zinc/31/55/07/1316315507.db2.gz FOHXYNKJSSIQMK-TZIWHRDSSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040544849 1316316577 /nfs/dbraw/zinc/31/65/77/1316316577.db2.gz LBQCABSXEZEIGV-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040544849 1316316580 /nfs/dbraw/zinc/31/65/80/1316316580.db2.gz LBQCABSXEZEIGV-IEBWSBKVSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCF)C2 ZINC001040544848 1316316889 /nfs/dbraw/zinc/31/68/89/1316316889.db2.gz LBQCABSXEZEIGV-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCF)C2 ZINC001040544848 1316316892 /nfs/dbraw/zinc/31/68/92/1316316892.db2.gz LBQCABSXEZEIGV-HKUYNNGSSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040703809 1316355052 /nfs/dbraw/zinc/35/50/52/1316355052.db2.gz NOVPIVVEUSBXRT-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001072297274 1316373645 /nfs/dbraw/zinc/37/36/45/1316373645.db2.gz HXCCMOVDKMCISD-NVXWUHKLSA-N 1 3 349.544 2.807 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001072297285 1316373855 /nfs/dbraw/zinc/37/38/55/1316373855.db2.gz HZYMEWMJDKINBX-AEFFLSMTSA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH]cn3)CC[C@H]2C)cc1 ZINC001072369533 1316378084 /nfs/dbraw/zinc/37/80/84/1316378084.db2.gz RLFQPMYVGKWXFM-AEFFLSMTSA-N 1 3 340.471 2.535 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN4CC[C@@H](C)C4)C3)CC2)C1 ZINC001040850067 1316388640 /nfs/dbraw/zinc/38/86/40/1316388640.db2.gz WPLOGNHGBIOCAN-LMDPOFIKSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)CC[NH+]1CCC2(CCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001040848136 1316388868 /nfs/dbraw/zinc/38/88/68/1316388868.db2.gz DXGKQWVROKIJPO-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001040870740 1316393596 /nfs/dbraw/zinc/39/35/96/1316393596.db2.gz WQOUFDWQTULSKN-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CCc1cccc(C[N@H+]2CCC3(CN(C(=O)[C@H](CC)N(C)C)C3)C2)c1 ZINC001072991498 1316427361 /nfs/dbraw/zinc/42/73/61/1316427361.db2.gz WCUHAAVSNHOZJW-IBGZPJMESA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC3(CN(C(=O)[C@H](CC)N(C)C)C3)C2)c1 ZINC001072991498 1316427366 /nfs/dbraw/zinc/42/73/66/1316427366.db2.gz WCUHAAVSNHOZJW-IBGZPJMESA-N 1 3 343.515 2.624 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC001262482858 1316468841 /nfs/dbraw/zinc/46/88/41/1316468841.db2.gz OHBZTIJEYZAAJP-NCXUSEDFSA-N 1 3 327.472 2.580 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C(=O)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC001262482857 1316468938 /nfs/dbraw/zinc/46/89/38/1316468938.db2.gz OHBZTIJEYZAAJP-MKXGPGLRSA-N 1 3 327.472 2.580 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001262567223 1316472346 /nfs/dbraw/zinc/47/23/46/1316472346.db2.gz MBDAHNCAVMPNIY-MRXNPFEDSA-N 1 3 346.519 2.791 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC001262567223 1316472349 /nfs/dbraw/zinc/47/23/49/1316472349.db2.gz MBDAHNCAVMPNIY-MRXNPFEDSA-N 1 3 346.519 2.791 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1=CCCCC1 ZINC001073970315 1316484710 /nfs/dbraw/zinc/48/47/10/1316484710.db2.gz JTORNPQDAYZNBS-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1=CCCCC1 ZINC001073970315 1316484713 /nfs/dbraw/zinc/48/47/13/1316484713.db2.gz JTORNPQDAYZNBS-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001074066906 1316495263 /nfs/dbraw/zinc/49/52/63/1316495263.db2.gz VKHQIEKZGPAMDO-MOPGFXCFSA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1)N(C)C ZINC001074066906 1316495265 /nfs/dbraw/zinc/49/52/65/1316495265.db2.gz VKHQIEKZGPAMDO-MOPGFXCFSA-N 1 3 349.494 2.979 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001074067096 1316495294 /nfs/dbraw/zinc/49/52/94/1316495294.db2.gz ZRGJDVJHEGVEBC-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC(F)(F)C1)N(C)C ZINC001074067096 1316495295 /nfs/dbraw/zinc/49/52/95/1316495295.db2.gz ZRGJDVJHEGVEBC-CVEARBPZSA-N 1 3 345.478 2.685 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CC4CC(C)(C)C4)C3)C2)CCC1 ZINC001041352719 1316524482 /nfs/dbraw/zinc/52/44/82/1316524482.db2.gz AVTNWJSPKCDSEZ-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC4CC(C)(C)C4)C3)C2)CCC1 ZINC001041352719 1316524484 /nfs/dbraw/zinc/52/44/84/1316524484.db2.gz AVTNWJSPKCDSEZ-FQEVSTJZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCCC4CCC4)C3)C2)CCC1 ZINC001041352993 1316524520 /nfs/dbraw/zinc/52/45/20/1316524520.db2.gz DVZAYOCDAWQBJW-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCCC4CCC4)C3)C2)CCC1 ZINC001041352993 1316524523 /nfs/dbraw/zinc/52/45/23/1316524523.db2.gz DVZAYOCDAWQBJW-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@H+](CCC4CCCC4)C3)C2)CCC1 ZINC001041356314 1316525208 /nfs/dbraw/zinc/52/52/08/1316525208.db2.gz WSJLLNLHKRNHFQ-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@]3(CC[N@@H+](CCC4CCCC4)C3)C2)CCC1 ZINC001041356314 1316525212 /nfs/dbraw/zinc/52/52/12/1316525212.db2.gz WSJLLNLHKRNHFQ-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CC4CCCCC4)C3)C2)CCC1 ZINC001041354043 1316525288 /nfs/dbraw/zinc/52/52/88/1316525288.db2.gz LKWRTAIXCWPTOL-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC4CCCCC4)C3)C2)CCC1 ZINC001041354043 1316525291 /nfs/dbraw/zinc/52/52/91/1316525291.db2.gz LKWRTAIXCWPTOL-FQEVSTJZSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)CCN1C(=O)[C@H]1CCCN1C ZINC001074565120 1316525421 /nfs/dbraw/zinc/52/54/21/1316525421.db2.gz UFVRKEBMSGDBCA-RYGJVYDSSA-N 1 3 341.499 2.737 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357114 1316526107 /nfs/dbraw/zinc/52/61/07/1316526107.db2.gz DNOUUYAYUAPDSN-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001041357114 1316526108 /nfs/dbraw/zinc/52/61/08/1316526108.db2.gz DNOUUYAYUAPDSN-QUCCMNQESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@H+](CC4=CCCCC4)C3)C2)CCC1 ZINC001041356558 1316526249 /nfs/dbraw/zinc/52/62/49/1316526249.db2.gz ZGQOHXQXZJFWQY-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@]3(CC[N@@H+](CC4=CCCCC4)C3)C2)CCC1 ZINC001041356558 1316526250 /nfs/dbraw/zinc/52/62/50/1316526250.db2.gz ZGQOHXQXZJFWQY-FQEVSTJZSA-N 1 3 345.531 2.896 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358382 1316526933 /nfs/dbraw/zinc/52/69/33/1316526933.db2.gz NMAJQPGNRJVTKC-NQIIRXRSSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1)C1CC1 ZINC001041358382 1316526937 /nfs/dbraw/zinc/52/69/37/1316526937.db2.gz NMAJQPGNRJVTKC-NQIIRXRSSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357700 1316527262 /nfs/dbraw/zinc/52/72/62/1316527262.db2.gz IIWIMZMLLAXTMM-PKOBYXMFSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CC1 ZINC001041357700 1316527264 /nfs/dbraw/zinc/52/72/64/1316527264.db2.gz IIWIMZMLLAXTMM-PKOBYXMFSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360530 1316527646 /nfs/dbraw/zinc/52/76/46/1316527646.db2.gz YZGZAVTXWYDLEV-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1)C1CC1 ZINC001041360530 1316527650 /nfs/dbraw/zinc/52/76/50/1316527650.db2.gz YZGZAVTXWYDLEV-FPOVZHCZSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C)c1ccc(F)cc1 ZINC001074686988 1316529854 /nfs/dbraw/zinc/52/98/54/1316529854.db2.gz CLLPQYIZXBJBNN-VCBZYWHSSA-N 1 3 347.478 2.950 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)CC2)CCN1C(=O)CN(C)C1CCC1 ZINC001074687804 1316530344 /nfs/dbraw/zinc/53/03/44/1316530344.db2.gz PEBVCJWKABMITA-OLECLDRESA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)c(C)c1 ZINC001074878371 1316538939 /nfs/dbraw/zinc/53/89/39/1316538939.db2.gz PQKAAVWBHHKEDC-QRFRQXIXSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)[C@H]2C)c(C)c1 ZINC001074878370 1316539346 /nfs/dbraw/zinc/53/93/46/1316539346.db2.gz PQKAAVWBHHKEDC-KPFFTGBYSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)[C@H]2C)cc1F ZINC001074878332 1316539425 /nfs/dbraw/zinc/53/94/25/1316539425.db2.gz NTJSRDVFNIFSJO-QOKNQOGYSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001074878475 1316539464 /nfs/dbraw/zinc/53/94/64/1316539464.db2.gz YUBNWOXTXHEHQE-ALKREAHSSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCC3CCCCC3)[C@@H]2C)C1 ZINC001074878339 1316539550 /nfs/dbraw/zinc/53/95/50/1316539550.db2.gz ODIDASNKEMDRDB-LNLFQRSKSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)[C@H]2C)cc1 ZINC001074877860 1316539600 /nfs/dbraw/zinc/53/96/00/1316539600.db2.gz PSKPRFFIDSEWCY-ZWOKBUDYSA-N 1 3 343.515 2.812 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041402034 1316540921 /nfs/dbraw/zinc/54/09/21/1316540921.db2.gz FIOGHQQMKIIJIP-UYAOXDASSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1)N(C)C ZINC001041402034 1316540923 /nfs/dbraw/zinc/54/09/23/1316540923.db2.gz FIOGHQQMKIIJIP-UYAOXDASSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672973 1316643842 /nfs/dbraw/zinc/64/38/42/1316643842.db2.gz SAZHLDWFHGNUAB-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672973 1316643844 /nfs/dbraw/zinc/64/38/44/1316643844.db2.gz SAZHLDWFHGNUAB-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672974 1316643959 /nfs/dbraw/zinc/64/39/59/1316643959.db2.gz SAZHLDWFHGNUAB-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001041672974 1316643961 /nfs/dbraw/zinc/64/39/61/1316643961.db2.gz SAZHLDWFHGNUAB-YLJYHZDGSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674173 1316644350 /nfs/dbraw/zinc/64/43/50/1316644350.db2.gz ITBGNNPJXHDQAN-UTKZUKDTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674173 1316644353 /nfs/dbraw/zinc/64/43/53/1316644353.db2.gz ITBGNNPJXHDQAN-UTKZUKDTSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001041676488 1316645430 /nfs/dbraw/zinc/64/54/30/1316645430.db2.gz XQKUJRGGPDCDEP-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001041676488 1316645433 /nfs/dbraw/zinc/64/54/33/1316645433.db2.gz XQKUJRGGPDCDEP-NQIIRXRSSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041686563 1316648383 /nfs/dbraw/zinc/64/83/83/1316648383.db2.gz MGTCYAKIZBHRKN-PKOBYXMFSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3csc(C)c3)C2)C1)N(C)C ZINC001041686563 1316648386 /nfs/dbraw/zinc/64/83/86/1316648386.db2.gz MGTCYAKIZBHRKN-PKOBYXMFSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCC3)C2)C1 ZINC001041724192 1316666552 /nfs/dbraw/zinc/66/65/52/1316666552.db2.gz QFDLPIOKGGJLKD-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001041724192 1316666555 /nfs/dbraw/zinc/66/65/55/1316666555.db2.gz QFDLPIOKGGJLKD-FPOVZHCZSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001041723602 1316666587 /nfs/dbraw/zinc/66/65/87/1316666587.db2.gz JUFRBCDFXLFBQU-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001041723602 1316666588 /nfs/dbraw/zinc/66/65/88/1316666588.db2.gz JUFRBCDFXLFBQU-TZIWHRDSSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723562 1316666644 /nfs/dbraw/zinc/66/66/44/1316666644.db2.gz IWLRYBOBDGDMIR-ICSRJNTNSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)C1 ZINC001041723562 1316666647 /nfs/dbraw/zinc/66/66/47/1316666647.db2.gz IWLRYBOBDGDMIR-ICSRJNTNSA-N 1 3 335.536 2.830 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC001265021762 1316692016 /nfs/dbraw/zinc/69/20/16/1316692016.db2.gz ZOJRIIRSCFTZPV-HNSSHINMSA-N 1 3 349.906 2.886 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC001265021762 1316692018 /nfs/dbraw/zinc/69/20/18/1316692018.db2.gz ZOJRIIRSCFTZPV-HNSSHINMSA-N 1 3 349.906 2.886 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001041845671 1316732336 /nfs/dbraw/zinc/73/23/36/1316732336.db2.gz MUBSXDDZNCBFCL-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001041845671 1316732338 /nfs/dbraw/zinc/73/23/38/1316732338.db2.gz MUBSXDDZNCBFCL-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CCCF)[C@@H]2C1)N1CCCCC1 ZINC001042061909 1316851760 /nfs/dbraw/zinc/85/17/60/1316851760.db2.gz JFLGGAUFMZUIOM-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CCCF)[C@@H]2C1)N1CCCCC1 ZINC001042061909 1316851762 /nfs/dbraw/zinc/85/17/62/1316851762.db2.gz JFLGGAUFMZUIOM-DLBZAZTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186622 1316939776 /nfs/dbraw/zinc/93/97/76/1316939776.db2.gz ISEQUFPIXFAKEI-MSOLQXFVSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001042186622 1316939780 /nfs/dbraw/zinc/93/97/80/1316939780.db2.gz ISEQUFPIXFAKEI-MSOLQXFVSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042314008 1317136278 /nfs/dbraw/zinc/13/62/78/1317136278.db2.gz LTKYAYOPRNRDBA-JKSUJKDBSA-N 1 3 332.492 2.656 20 0 EFADHO CC(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC001042314008 1317136285 /nfs/dbraw/zinc/13/62/85/1317136285.db2.gz LTKYAYOPRNRDBA-JKSUJKDBSA-N 1 3 332.492 2.656 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042367680 1317221535 /nfs/dbraw/zinc/22/15/35/1317221535.db2.gz KDZJZWIAURTDKA-APWZRJJASA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001042367680 1317221538 /nfs/dbraw/zinc/22/15/38/1317221538.db2.gz KDZJZWIAURTDKA-APWZRJJASA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366751 1317221774 /nfs/dbraw/zinc/22/17/74/1317221774.db2.gz XTWPPLOJPQLYBP-AZUAARDMSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001042366751 1317221782 /nfs/dbraw/zinc/22/17/82/1317221782.db2.gz XTWPPLOJPQLYBP-AZUAARDMSA-N 1 3 343.515 2.941 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC=C(Cl)Cl)C2)CCC1 ZINC001403292104 1364507052 /nfs/dbraw/zinc/50/70/52/1364507052.db2.gz MDIZPCJKKXELCO-CHWSQXEVSA-N 1 3 348.318 2.807 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC001491580091 1323721724 /nfs/dbraw/zinc/72/17/24/1323721724.db2.gz QILKQTLEYGVUGX-AWEZNQCLSA-N 1 3 339.911 2.912 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001491834309 1323929575 /nfs/dbraw/zinc/92/95/75/1323929575.db2.gz DICOLHNFSRVCBJ-QGZVFWFLSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001491850208 1323946152 /nfs/dbraw/zinc/94/61/52/1323946152.db2.gz RJBJTTIJRSCGOL-LJQANCHMSA-N 1 3 331.504 2.583 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001491891358 1324000369 /nfs/dbraw/zinc/00/03/69/1324000369.db2.gz JJXONHKXIPOOTF-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001491891355 1324001193 /nfs/dbraw/zinc/00/11/93/1324001193.db2.gz JJXONHKXIPOOTF-MOPGFXCFSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001491893662 1324003577 /nfs/dbraw/zinc/00/35/77/1324003577.db2.gz GLUSHPRIKMGGGL-ISESHHHUSA-N 1 3 336.307 2.664 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001492034195 1324193603 /nfs/dbraw/zinc/19/36/03/1324193603.db2.gz DLIHQDHMMJFBEY-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389754 1324471458 /nfs/dbraw/zinc/47/14/58/1324471458.db2.gz RUUKDSAXSLSXHH-CQSZACIVSA-N 1 3 337.895 2.791 20 0 EFADHO CN(CCNC(=O)CCC[NH+](C)C)[C@H]1CCc2c1cccc2Cl ZINC001492395154 1324480197 /nfs/dbraw/zinc/48/01/97/1324480197.db2.gz USKQPGBOQXYFNW-KRWDZBQOSA-N 1 3 337.895 2.717 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492424210 1324501021 /nfs/dbraw/zinc/50/10/21/1324501021.db2.gz RFYXJCJQJFYHEF-CQSZACIVSA-N 1 3 337.895 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492424210 1324501032 /nfs/dbraw/zinc/50/10/32/1324501032.db2.gz RFYXJCJQJFYHEF-CQSZACIVSA-N 1 3 337.895 2.538 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCCNC(=O)c1ccccc1C(F)(F)F ZINC001326039718 1329730943 /nfs/dbraw/zinc/73/09/43/1329730943.db2.gz SYWCGUDAWZFXNJ-DOMZBBRYSA-N 1 3 343.393 2.542 20 0 EFADHO NC[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccccc1C(F)(F)F ZINC001326039718 1329730944 /nfs/dbraw/zinc/73/09/44/1329730944.db2.gz SYWCGUDAWZFXNJ-DOMZBBRYSA-N 1 3 343.393 2.542 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001382579404 1349030197 /nfs/dbraw/zinc/03/01/97/1349030197.db2.gz ACRBEPHLOXBENL-AFMYVXGZSA-N 1 3 345.531 2.969 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2)CC1 ZINC001326751266 1330359302 /nfs/dbraw/zinc/35/93/02/1330359302.db2.gz UENBBTBNTSPFDZ-QUCCMNQESA-N 1 3 344.503 2.675 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001332966611 1331056275 /nfs/dbraw/zinc/05/62/75/1331056275.db2.gz XUKBRBNRQYIZJQ-IBGZPJMESA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001332966611 1331056281 /nfs/dbraw/zinc/05/62/81/1331056281.db2.gz XUKBRBNRQYIZJQ-IBGZPJMESA-N 1 3 344.503 2.640 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC001335395586 1331342996 /nfs/dbraw/zinc/34/29/96/1331342996.db2.gz WTIJADXRGKHYJI-RVKKMQEKSA-N 1 3 340.895 2.852 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC001338289299 1331686383 /nfs/dbraw/zinc/68/63/83/1331686383.db2.gz OANZJLSCICKHBT-IBGZPJMESA-N 1 3 347.503 2.727 20 0 EFADHO C[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CN(C)C ZINC001338473788 1331709788 /nfs/dbraw/zinc/70/97/88/1331709788.db2.gz KCRSNFBXNYHVMC-GFCCVEGCSA-N 1 3 342.281 2.565 20 0 EFADHO C[C@H](CNCCC(=O)Nc1ccc(Br)cc1)C[NH+](C)C ZINC001338473788 1331709790 /nfs/dbraw/zinc/70/97/90/1331709790.db2.gz KCRSNFBXNYHVMC-GFCCVEGCSA-N 1 3 342.281 2.565 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001340111553 1332140907 /nfs/dbraw/zinc/14/09/07/1332140907.db2.gz DQJXEXNOIHIUEB-YJBOKZPZSA-N 1 3 332.492 2.531 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001340111553 1332140910 /nfs/dbraw/zinc/14/09/10/1332140910.db2.gz DQJXEXNOIHIUEB-YJBOKZPZSA-N 1 3 332.492 2.531 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001340283578 1332166199 /nfs/dbraw/zinc/16/61/99/1332166199.db2.gz NEWLIFVOZGPVPM-KXBFYZLASA-N 1 3 346.519 2.919 20 0 EFADHO C[C@H]1CCN(C(=O)CCSCCC[NH3+])CCN1Cc1ccccc1 ZINC001340882159 1332217058 /nfs/dbraw/zinc/21/70/58/1332217058.db2.gz WKSFATDBNOPAEM-KRWDZBQOSA-N 1 3 349.544 2.582 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)cc2)CC1 ZINC001345724376 1332566560 /nfs/dbraw/zinc/56/65/60/1332566560.db2.gz YCSNMLAUVBPFBK-SFHVURJKSA-N 1 3 346.519 2.791 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001414096499 1332638484 /nfs/dbraw/zinc/63/84/84/1332638484.db2.gz HPDHUGYTCZTSNR-MSOLQXFVSA-N 1 3 348.487 2.561 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001001750651 1333438027 /nfs/dbraw/zinc/43/80/27/1333438027.db2.gz DPCRGXCNWHVKER-MSOLQXFVSA-N 1 3 341.515 2.685 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CCN(C[C@@H](F)CC)CC2)C1 ZINC001001750651 1333438028 /nfs/dbraw/zinc/43/80/28/1333438028.db2.gz DPCRGXCNWHVKER-MSOLQXFVSA-N 1 3 341.515 2.685 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](C)Cc3ccco3)CC2)CC1 ZINC000847333613 1333561720 /nfs/dbraw/zinc/56/17/20/1333561720.db2.gz AEPLHXNQRSEVDX-INIZCTEOSA-N 1 3 347.503 2.523 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001002038308 1333971190 /nfs/dbraw/zinc/97/11/90/1333971190.db2.gz XJKIUTFNCPVOHY-GOSISDBHSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CC2CC(C)(C)C2)C1)N1CCCC1 ZINC001100562408 1334293358 /nfs/dbraw/zinc/29/33/58/1334293358.db2.gz LUSYIHAGDOTWHK-UHFFFAOYSA-N 1 3 335.536 2.781 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]CCc2cccs2)C1)N1CCCC1 ZINC001100563590 1334296580 /nfs/dbraw/zinc/29/65/80/1334296580.db2.gz OBVBOVSNSSRMIF-UHFFFAOYSA-N 1 3 349.544 2.649 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100651867 1334491888 /nfs/dbraw/zinc/49/18/88/1334491888.db2.gz NENQBZKFXYBYJX-XUJQIHCRSA-N 1 3 349.494 2.705 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100651872 1334491968 /nfs/dbraw/zinc/49/19/68/1334491968.db2.gz NKPXFQLTBJGQCS-RRWXTXHCSA-N 1 3 345.531 2.820 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001100651995 1334491971 /nfs/dbraw/zinc/49/19/71/1334491971.db2.gz SYKGYNQJGMUZIE-AFMYVXGZSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001100676542 1334551378 /nfs/dbraw/zinc/55/13/78/1334551378.db2.gz OXQLWUMRVTVNML-BZOOQXSSSA-N 1 3 335.517 2.525 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001100678313 1334555808 /nfs/dbraw/zinc/55/58/08/1334555808.db2.gz HBKKINPTABGNBQ-MXWWQKGMSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CCCCC(F)(F)F)C2)C1 ZINC001100678413 1334556142 /nfs/dbraw/zinc/55/61/42/1334556142.db2.gz KBUNUHXYWCJXJO-NFOMZHRRSA-N 1 3 349.441 2.545 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCC3=CCCCC3)C2)C1 ZINC001100678748 1334556649 /nfs/dbraw/zinc/55/66/49/1334556649.db2.gz VUBNDSVGQQTWOI-IPJUCJBFSA-N 1 3 333.520 2.703 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001100681069 1334562655 /nfs/dbraw/zinc/56/26/55/1334562655.db2.gz UPBOZXQFBKWFLD-UHFFFAOYSA-N 1 3 345.531 2.957 20 0 EFADHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001100683689 1334569445 /nfs/dbraw/zinc/56/94/45/1334569445.db2.gz NMKPAUPHGYIBHD-ACBHZAAOSA-N 1 3 331.504 2.628 20 0 EFADHO C[C@H](C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N1CCCCCC1 ZINC001100731006 1334689776 /nfs/dbraw/zinc/68/97/76/1334689776.db2.gz XRLNYDKLKWJGCN-QHGAOEGBSA-N 1 3 343.515 2.936 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](CC(C)(C)C)CC3=O)C[C@H]2C1 ZINC001356057902 1334943224 /nfs/dbraw/zinc/94/32/24/1334943224.db2.gz VLOUBEXGDYSNTN-BRSBDYLESA-N 1 3 335.536 2.891 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(CN3C[C@@H](CC(C)(C)C)CC3=O)C[C@@H]2C1 ZINC001356057911 1334943520 /nfs/dbraw/zinc/94/35/20/1334943520.db2.gz VLOUBEXGDYSNTN-ZJPYXAASSA-N 1 3 335.536 2.891 20 0 EFADHO Cc1csc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849055298 1335060856 /nfs/dbraw/zinc/06/08/56/1335060856.db2.gz ZHEVWHOGWGKORF-UHFFFAOYSA-N 1 3 343.500 2.730 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCc1nc2c(s1)CCCC2 ZINC000849072755 1335068832 /nfs/dbraw/zinc/06/88/32/1335068832.db2.gz DHVNHYIXKKWXBN-AWEZNQCLSA-N 1 3 349.548 2.553 20 0 EFADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000849073448 1335069660 /nfs/dbraw/zinc/06/96/60/1335069660.db2.gz CTINPJIRMPBEKR-QGTPRVQTSA-N 1 3 330.476 3.000 20 0 EFADHO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000849073449 1335069701 /nfs/dbraw/zinc/06/97/01/1335069701.db2.gz CTINPJIRMPBEKR-WBAXXEDZSA-N 1 3 330.476 3.000 20 0 EFADHO CO[C@H]1CCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849076103 1335070134 /nfs/dbraw/zinc/07/01/34/1335070134.db2.gz AMISBLZEQGMANJ-HKUYNNGSSA-N 1 3 344.503 2.580 20 0 EFADHO CO[C@@H]1CCC[C@H]1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849076107 1335070152 /nfs/dbraw/zinc/07/01/52/1335070152.db2.gz AMISBLZEQGMANJ-PKOBYXMFSA-N 1 3 344.503 2.580 20 0 EFADHO CCc1nc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)co1 ZINC000849115347 1335555356 /nfs/dbraw/zinc/55/53/56/1335555356.db2.gz PVELLOOPFRUICW-UHFFFAOYSA-N 1 3 341.459 2.516 20 0 EFADHO CO[C@@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)CC(C)C ZINC000849117675 1335555698 /nfs/dbraw/zinc/55/56/98/1335555698.db2.gz PHTGSYKGVBPQLF-LJQANCHMSA-N 1 3 346.519 2.826 20 0 EFADHO CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001361502471 1336129104 /nfs/dbraw/zinc/12/91/04/1336129104.db2.gz ZYVUHUXSTXVMEK-SFHVURJKSA-N 1 3 331.504 2.888 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001361860246 1336380872 /nfs/dbraw/zinc/38/08/72/1336380872.db2.gz BCSVRXNZOZIJTO-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N(CCc2ccccc2)CCN(C)C)C1 ZINC001361860246 1336380875 /nfs/dbraw/zinc/38/08/75/1336380875.db2.gz BCSVRXNZOZIJTO-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001361864923 1336384253 /nfs/dbraw/zinc/38/42/53/1336384253.db2.gz DTJDLRJTGKOMGP-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001361864923 1336384256 /nfs/dbraw/zinc/38/42/56/1336384256.db2.gz DTJDLRJTGKOMGP-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC001361864923 1336384258 /nfs/dbraw/zinc/38/42/58/1336384258.db2.gz DTJDLRJTGKOMGP-OALUTQOASA-N 1 3 329.488 2.813 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001361964746 1336441926 /nfs/dbraw/zinc/44/19/26/1336441926.db2.gz AGUNBGYUBSFZLC-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001361964746 1336441930 /nfs/dbraw/zinc/44/19/30/1336441930.db2.gz AGUNBGYUBSFZLC-IEBWSBKVSA-N 1 3 331.504 2.744 20 0 EFADHO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)Cc1ccccc1 ZINC001362025350 1336469804 /nfs/dbraw/zinc/46/98/04/1336469804.db2.gz PDFPSKILROROKL-UXHICEINSA-N 1 3 345.531 2.929 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109949 1336507317 /nfs/dbraw/zinc/50/73/17/1336507317.db2.gz MSVRZDZGEDHZKT-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001362109949 1336507320 /nfs/dbraw/zinc/50/73/20/1336507320.db2.gz MSVRZDZGEDHZKT-HOJAQTOUSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001362170473 1336536817 /nfs/dbraw/zinc/53/68/17/1336536817.db2.gz ZPILCLDOYFJLMH-YJBOKZPZSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001362170473 1336536820 /nfs/dbraw/zinc/53/68/20/1336536820.db2.gz ZPILCLDOYFJLMH-YJBOKZPZSA-N 1 3 340.471 2.678 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498974 1336634503 /nfs/dbraw/zinc/63/45/03/1336634503.db2.gz LRDXBWGRPZTHRL-HOJAQTOUSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001362498974 1336634507 /nfs/dbraw/zinc/63/45/07/1336634507.db2.gz LRDXBWGRPZTHRL-HOJAQTOUSA-N 1 3 343.515 2.744 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001362514300 1336641628 /nfs/dbraw/zinc/64/16/28/1336641628.db2.gz CTMPGMJTVHIULM-SFHVURJKSA-N 1 3 335.492 2.680 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC001362514300 1336641631 /nfs/dbraw/zinc/64/16/31/1336641631.db2.gz CTMPGMJTVHIULM-SFHVURJKSA-N 1 3 335.492 2.680 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632688 1336683537 /nfs/dbraw/zinc/68/35/37/1336683537.db2.gz XBEVFHYBCUVCMO-FPOVZHCZSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1 ZINC001362632688 1336683538 /nfs/dbraw/zinc/68/35/38/1336683538.db2.gz XBEVFHYBCUVCMO-FPOVZHCZSA-N 1 3 343.515 2.888 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](c1ccc(CC(C)C)cc1)[NH+](C)C ZINC001362799750 1336747568 /nfs/dbraw/zinc/74/75/68/1336747568.db2.gz QFEWOUDXTRCIAE-LJQANCHMSA-N 1 3 333.520 2.946 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001363365232 1336894810 /nfs/dbraw/zinc/89/48/10/1336894810.db2.gz WTIMRVOTXJEQJU-IAGOWNOFSA-N 1 3 326.843 2.947 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001363758091 1337027794 /nfs/dbraw/zinc/02/77/94/1337027794.db2.gz WOVXJHDIKHOVKA-RBUKOAKNSA-N 1 3 329.488 2.710 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001363758091 1337027798 /nfs/dbraw/zinc/02/77/98/1337027798.db2.gz WOVXJHDIKHOVKA-RBUKOAKNSA-N 1 3 329.488 2.710 20 0 EFADHO CC(C)N(C)C[C@@H](O)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC001363803379 1337058587 /nfs/dbraw/zinc/05/85/87/1337058587.db2.gz CRCBLLVJIMRAET-GOSISDBHSA-N 1 3 340.458 2.920 20 0 EFADHO CCOC(=O)N1CCC(C)(C[NH2+][C@H](C)CCN(CC)CC)CC1 ZINC001363927007 1337117015 /nfs/dbraw/zinc/11/70/15/1337117015.db2.gz DRHULKDBAWAMSN-MRXNPFEDSA-N 1 3 327.513 2.955 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)N(C)C ZINC001365851990 1337256818 /nfs/dbraw/zinc/25/68/18/1337256818.db2.gz ZHCVMVQLHIURHK-ZAUBIYILSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](Cc1cccc(F)c1)CC2)N(C)C ZINC001366024182 1337331114 /nfs/dbraw/zinc/33/11/14/1337331114.db2.gz ZHPONHIBHBRRQM-ROUUACIJSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)c(C)s1 ZINC001366033599 1337336880 /nfs/dbraw/zinc/33/68/80/1337336880.db2.gz HHYUQICNBVPCAI-KRWDZBQOSA-N 1 3 349.544 2.834 20 0 EFADHO C[C@H](N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1)c1ccccc1F ZINC001366048791 1337346431 /nfs/dbraw/zinc/34/64/31/1337346431.db2.gz JOZQWJJICIVNML-KBXCAEBGSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001366111203 1337383429 /nfs/dbraw/zinc/38/34/29/1337383429.db2.gz CKKOLZZNRJZWIR-KBRIMQKVSA-N 1 3 333.451 2.608 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2c(C)cccc2Cl)C1 ZINC001366136266 1337396419 /nfs/dbraw/zinc/39/64/19/1337396419.db2.gz LAAUOLBJUBVWHL-SHTZXODSSA-N 1 3 337.895 2.727 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCc2c(C)cccc2Cl)C1 ZINC001366136266 1337396422 /nfs/dbraw/zinc/39/64/22/1337396422.db2.gz LAAUOLBJUBVWHL-SHTZXODSSA-N 1 3 337.895 2.727 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)N1CCCCC1 ZINC001366173867 1337415437 /nfs/dbraw/zinc/41/54/37/1337415437.db2.gz UGCOJOHETRKLLB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1)N1CCCCC1 ZINC001366173867 1337415438 /nfs/dbraw/zinc/41/54/38/1337415438.db2.gz UGCOJOHETRKLLB-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001366178894 1337419745 /nfs/dbraw/zinc/41/97/45/1337419745.db2.gz KOMKUZJBEQQXGI-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001366178894 1337419748 /nfs/dbraw/zinc/41/97/48/1337419748.db2.gz KOMKUZJBEQQXGI-VQTJNVASSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366191260 1337430443 /nfs/dbraw/zinc/43/04/43/1337430443.db2.gz XNPDANJIXDUCCJ-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001366191260 1337430444 /nfs/dbraw/zinc/43/04/44/1337430444.db2.gz XNPDANJIXDUCCJ-WOJBJXKFSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC001366207383 1337443604 /nfs/dbraw/zinc/44/36/04/1337443604.db2.gz OLNHMZGRJHXRAH-FQEVSTJZSA-N 1 3 345.531 2.919 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001366206753 1337443792 /nfs/dbraw/zinc/44/37/92/1337443792.db2.gz ROEXBXPUEQAISX-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001366226154 1337458663 /nfs/dbraw/zinc/45/86/63/1337458663.db2.gz LMVRXFZYKHSMRR-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](NC(=O)C(C)(C)N1CCCCC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001366226154 1337458664 /nfs/dbraw/zinc/45/86/64/1337458664.db2.gz LMVRXFZYKHSMRR-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001366227335 1337460758 /nfs/dbraw/zinc/46/07/58/1337460758.db2.gz DHCQGVRVLBWPRX-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC001366227335 1337460760 /nfs/dbraw/zinc/46/07/60/1337460760.db2.gz DHCQGVRVLBWPRX-SJLPKXTDSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1)N(C)C ZINC001366241072 1337472119 /nfs/dbraw/zinc/47/21/19/1337472119.db2.gz DBDZUCLDGNUIOU-TVPLGVNVSA-N 1 3 349.494 2.929 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001366436019 1337585770 /nfs/dbraw/zinc/58/57/70/1337585770.db2.gz VQWUHGWNVXXIMY-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001366436019 1337585776 /nfs/dbraw/zinc/58/57/76/1337585776.db2.gz VQWUHGWNVXXIMY-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)cc1 ZINC001366466998 1337610009 /nfs/dbraw/zinc/61/00/09/1337610009.db2.gz BRVLWANWVOBXHC-CQSZACIVSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001366481940 1337623413 /nfs/dbraw/zinc/62/34/13/1337623413.db2.gz BWBDIIQIWRDKMP-WMLDXEAASA-N 1 3 339.911 2.911 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001366510397 1337651346 /nfs/dbraw/zinc/65/13/46/1337651346.db2.gz OEMHJCUTZSYRET-WBMJQRKESA-N 1 3 343.874 2.804 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001366511382 1337652099 /nfs/dbraw/zinc/65/20/99/1337652099.db2.gz PWAKENZHJLMWQR-MJGOQNOKSA-N 1 3 333.520 2.874 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(C(C)(C)C)cc2)CC[N@@H+]1C ZINC001366525737 1337662895 /nfs/dbraw/zinc/66/28/95/1337662895.db2.gz ADBBZLLXMCQHDS-VQIMIIECSA-N 1 3 345.531 2.872 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCCN(C)Cc2ccc(C(C)(C)C)cc2)CC[N@H+]1C ZINC001366525737 1337662900 /nfs/dbraw/zinc/66/29/00/1337662900.db2.gz ADBBZLLXMCQHDS-VQIMIIECSA-N 1 3 345.531 2.872 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001366527078 1337664833 /nfs/dbraw/zinc/66/48/33/1337664833.db2.gz JRBDJDGBWIEJNW-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)Cc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001366527078 1337664836 /nfs/dbraw/zinc/66/48/36/1337664836.db2.gz JRBDJDGBWIEJNW-YLJYHZDGSA-N 1 3 345.531 2.773 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cccc1C ZINC001366629028 1337771667 /nfs/dbraw/zinc/77/16/67/1337771667.db2.gz PERRNXWKNKHQQM-INIZCTEOSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)Cc1c(C)cccc1C ZINC001366629028 1337771671 /nfs/dbraw/zinc/77/16/71/1337771671.db2.gz PERRNXWKNKHQQM-INIZCTEOSA-N 1 3 331.504 2.583 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)N(C)C ZINC001366691521 1337873651 /nfs/dbraw/zinc/87/36/51/1337873651.db2.gz WDQJDLJLNNHOAI-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1)N(C)C ZINC001366691521 1337873658 /nfs/dbraw/zinc/87/36/58/1337873658.db2.gz WDQJDLJLNNHOAI-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@H+](CC2CCCCCC2)C2CC2)C1 ZINC001366751866 1337967331 /nfs/dbraw/zinc/96/73/31/1337967331.db2.gz OQRGYPHCSMKANE-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCCCC2)C2CC2)C1 ZINC001366751866 1337967332 /nfs/dbraw/zinc/96/73/32/1337967332.db2.gz OQRGYPHCSMKANE-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(CN(CCNC(=O)CC2CC[NH+](C)CC2)C2CC2)c1 ZINC001366752984 1337969240 /nfs/dbraw/zinc/96/92/40/1337969240.db2.gz BZZUWRCHPDYKQQ-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C)c(F)c2)C1 ZINC001366847513 1338111901 /nfs/dbraw/zinc/11/19/01/1338111901.db2.gz AKRWJBKHCONMPC-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C)c(F)c2)C1 ZINC001366847513 1338111905 /nfs/dbraw/zinc/11/19/05/1338111905.db2.gz AKRWJBKHCONMPC-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001366867609 1338137044 /nfs/dbraw/zinc/13/70/44/1338137044.db2.gz RAIDPUCSZOYKMQ-PMACEKPBSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCCc2ccccc2)C1)N(C)C ZINC001366867609 1338137047 /nfs/dbraw/zinc/13/70/47/1338137047.db2.gz RAIDPUCSZOYKMQ-PMACEKPBSA-N 1 3 345.531 2.740 20 0 EFADHO CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366878226 1338154215 /nfs/dbraw/zinc/15/42/15/1338154215.db2.gz JXXLRKQOIWJIQZ-ROUUACIJSA-N 1 3 325.541 2.789 20 0 EFADHO CCC(CC)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366878226 1338154216 /nfs/dbraw/zinc/15/42/16/1338154216.db2.gz JXXLRKQOIWJIQZ-ROUUACIJSA-N 1 3 325.541 2.789 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001366880482 1338157134 /nfs/dbraw/zinc/15/71/34/1338157134.db2.gz HOKFTIKFJAFDEN-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001366880482 1338157141 /nfs/dbraw/zinc/15/71/41/1338157141.db2.gz HOKFTIKFJAFDEN-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366890858 1338172139 /nfs/dbraw/zinc/17/21/39/1338172139.db2.gz QPYJXEMIAIMILL-OKZBNKHCSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001366896696 1338181314 /nfs/dbraw/zinc/18/13/14/1338181314.db2.gz HVMRAVRRVKBZRR-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001366896696 1338181315 /nfs/dbraw/zinc/18/13/15/1338181315.db2.gz HVMRAVRRVKBZRR-IAGOWNOFSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c(C)c1 ZINC001366903289 1338186610 /nfs/dbraw/zinc/18/66/10/1338186610.db2.gz MYNOVNLSSPWGPT-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001367036299 1338297410 /nfs/dbraw/zinc/29/74/10/1338297410.db2.gz VGRRNYNJZRTIAM-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001367036299 1338297413 /nfs/dbraw/zinc/29/74/13/1338297413.db2.gz VGRRNYNJZRTIAM-OXQOHEQNSA-N 1 3 343.515 2.769 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001367065481 1338338775 /nfs/dbraw/zinc/33/87/75/1338338775.db2.gz QPQXOLYQQQNPDF-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001367065481 1338338780 /nfs/dbraw/zinc/33/87/80/1338338780.db2.gz QPQXOLYQQQNPDF-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1cc2ccccc2o1 ZINC001367117766 1338405573 /nfs/dbraw/zinc/40/55/73/1338405573.db2.gz KFQFUBQVZFLZEJ-RDJZCZTQSA-N 1 3 331.460 2.757 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001367196376 1338501617 /nfs/dbraw/zinc/50/16/17/1338501617.db2.gz GUNIKZYPEILCCW-IYARVYRRSA-N 1 3 349.494 2.993 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)c1 ZINC001367240198 1338544017 /nfs/dbraw/zinc/54/40/17/1338544017.db2.gz RCWMKHIGTOTGHZ-HXUWFJFHSA-N 1 3 329.488 2.646 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367260594 1338560753 /nfs/dbraw/zinc/56/07/53/1338560753.db2.gz MBRZPSODFHRYPQ-IEBWSBKVSA-N 1 3 331.504 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C)N(C)C ZINC001367285213 1338584592 /nfs/dbraw/zinc/58/45/92/1338584592.db2.gz GKTVYWNVDDBJDL-BEFAXECRSA-N 1 3 333.520 2.794 20 0 EFADHO CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1nc[nH]c1C)c1ccccc1 ZINC001367293199 1338593114 /nfs/dbraw/zinc/59/31/14/1338593114.db2.gz VGQSPJVBXNFPMR-YOEHRIQHSA-N 1 3 328.460 2.754 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001367396750 1338694084 /nfs/dbraw/zinc/69/40/84/1338694084.db2.gz GTWWQFFUPUHJQI-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001367400918 1338698865 /nfs/dbraw/zinc/69/88/65/1338698865.db2.gz NWFJSDIKGFVDKZ-QFBILLFUSA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001367437598 1338740231 /nfs/dbraw/zinc/74/02/31/1338740231.db2.gz GGMWPIQKCVFTTN-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cccnc1)C1CCCCC1)N(C)C ZINC001367440586 1338743212 /nfs/dbraw/zinc/74/32/12/1338743212.db2.gz NMUUOSQARYMQOI-OALUTQOASA-N 1 3 346.519 2.577 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001367442805 1338745437 /nfs/dbraw/zinc/74/54/37/1338745437.db2.gz LEQRTASYDBWGAO-VQIMIIECSA-N 1 3 349.494 2.825 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001367442800 1338745565 /nfs/dbraw/zinc/74/55/65/1338745565.db2.gz LEQRTASYDBWGAO-APWZRJJASA-N 1 3 349.494 2.825 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@H]2CCc3c2cccc3F)CCC1 ZINC001367518259 1338817447 /nfs/dbraw/zinc/81/74/47/1338817447.db2.gz YZWBCLCSJVYCBQ-SFHVURJKSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@H]2CCc3c2cccc3F)CCC1 ZINC001367518259 1338817449 /nfs/dbraw/zinc/81/74/49/1338817449.db2.gz YZWBCLCSJVYCBQ-SFHVURJKSA-N 1 3 347.478 2.688 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001367519896 1338820103 /nfs/dbraw/zinc/82/01/03/1338820103.db2.gz ZVUBRHIIWNAVAS-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC001367519896 1338820106 /nfs/dbraw/zinc/82/01/06/1338820106.db2.gz ZVUBRHIIWNAVAS-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO CN(CCN(C)C(=O)CC1CC[NH+](C)CC1)Cc1ccc(CF)cc1 ZINC001367531580 1338833678 /nfs/dbraw/zinc/83/36/78/1338833678.db2.gz DTJIYPINABZRHT-UHFFFAOYSA-N 1 3 349.494 2.778 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367534240 1338837436 /nfs/dbraw/zinc/83/74/36/1338837436.db2.gz KQZZPZRZRINAFK-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001367534240 1338837440 /nfs/dbraw/zinc/83/74/40/1338837440.db2.gz KQZZPZRZRINAFK-CVEARBPZSA-N 1 3 335.467 2.619 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC001367538949 1338844283 /nfs/dbraw/zinc/84/42/83/1338844283.db2.gz VTNCJRUPAJUHGH-KRWDZBQOSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC001367538949 1338844284 /nfs/dbraw/zinc/84/42/84/1338844284.db2.gz VTNCJRUPAJUHGH-KRWDZBQOSA-N 1 3 331.504 2.535 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001367539739 1338845184 /nfs/dbraw/zinc/84/51/84/1338845184.db2.gz WTCHVVNNZJMYEH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001367539739 1338845187 /nfs/dbraw/zinc/84/51/87/1338845187.db2.gz WTCHVVNNZJMYEH-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(F)ccc1CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367547855 1338856826 /nfs/dbraw/zinc/85/68/26/1338856826.db2.gz PKJIYJWEKHCPFP-SFHVURJKSA-N 1 3 337.483 2.611 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C/C=C/Cl)C1)CC(C)(C)C ZINC001367553241 1338863662 /nfs/dbraw/zinc/86/36/62/1338863662.db2.gz HICTYEITTRHMRX-IDSJHHPBSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C/C=C/Cl)C1)CC(C)(C)C ZINC001367553241 1338863663 /nfs/dbraw/zinc/86/36/63/1338863663.db2.gz HICTYEITTRHMRX-IDSJHHPBSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C/C=C/Cl)C1)CC(C)(C)C ZINC001367553232 1338863855 /nfs/dbraw/zinc/86/38/55/1338863855.db2.gz HICTYEITTRHMRX-AUPUMLSVSA-N 1 3 341.927 2.640 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C/C=C/Cl)C1)CC(C)(C)C ZINC001367553232 1338863858 /nfs/dbraw/zinc/86/38/58/1338863858.db2.gz HICTYEITTRHMRX-AUPUMLSVSA-N 1 3 341.927 2.640 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367554388 1338864940 /nfs/dbraw/zinc/86/49/40/1338864940.db2.gz SJIAHMCXVCKESI-FUHWJXTLSA-N 1 3 335.467 2.619 20 0 EFADHO CC[C@H](c1ccc(F)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367554388 1338864943 /nfs/dbraw/zinc/86/49/43/1338864943.db2.gz SJIAHMCXVCKESI-FUHWJXTLSA-N 1 3 335.467 2.619 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001367578412 1338877507 /nfs/dbraw/zinc/87/75/07/1338877507.db2.gz KLSHRQLFKLRWSN-SJLPKXTDSA-N 1 3 335.467 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001367675947 1338921558 /nfs/dbraw/zinc/92/15/58/1338921558.db2.gz LUXSUCSUIOLHEK-WBMJQRKESA-N 1 3 343.874 2.660 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1)N(C)C ZINC001367698586 1338938078 /nfs/dbraw/zinc/93/80/78/1338938078.db2.gz JOLQFTOPTVIFMR-WWGRRREGSA-N 1 3 325.884 2.836 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803888 1339023412 /nfs/dbraw/zinc/02/34/12/1339023412.db2.gz MHNICSKMPRZDTK-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)CN(C)C2CCC2)c1 ZINC001367803888 1339023415 /nfs/dbraw/zinc/02/34/15/1339023415.db2.gz MHNICSKMPRZDTK-IRXDYDNUSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001367806472 1339024951 /nfs/dbraw/zinc/02/49/51/1339024951.db2.gz NXHWNNRSXBQWMZ-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001367806472 1339024954 /nfs/dbraw/zinc/02/49/54/1339024954.db2.gz NXHWNNRSXBQWMZ-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H](C[N@H+](C)CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001367808609 1339027381 /nfs/dbraw/zinc/02/73/81/1339027381.db2.gz STHRPSQVBROCRG-KRWDZBQOSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@@H](C[N@@H+](C)CCCc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001367808609 1339027384 /nfs/dbraw/zinc/02/73/84/1339027384.db2.gz STHRPSQVBROCRG-KRWDZBQOSA-N 1 3 331.504 2.540 20 0 EFADHO C[C@H](CN(C)Cc1ccc(CF)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001367833373 1339049158 /nfs/dbraw/zinc/04/91/58/1339049158.db2.gz DQFFKVWDGZNUNB-MRXNPFEDSA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN(C)Cc2ccc(F)cc2)CC1 ZINC001367844420 1339060495 /nfs/dbraw/zinc/06/04/95/1339060495.db2.gz HJZBLFITRLUTGF-INIZCTEOSA-N 1 3 349.494 2.883 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCN3C(C)C)CC2)cc1F ZINC001367995112 1339149318 /nfs/dbraw/zinc/14/93/18/1339149318.db2.gz AYQHKVAQRRBDCM-GOSISDBHSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCN3C(C)C)CC2)c(C)c1 ZINC001367995423 1339149366 /nfs/dbraw/zinc/14/93/66/1339149366.db2.gz CLQDBEICVVMBQU-IBGZPJMESA-N 1 3 343.515 2.915 20 0 EFADHO CN1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2sccc2Cl)CC1 ZINC001368010254 1339155823 /nfs/dbraw/zinc/15/58/23/1339155823.db2.gz BJLJQAPUCIEVCY-ZDUSSCGKSA-N 1 3 341.908 2.624 20 0 EFADHO Cc1cccc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001368046851 1339174559 /nfs/dbraw/zinc/17/45/59/1339174559.db2.gz ZNXLWTHFRAQZQL-UHFFFAOYSA-N 1 3 329.488 2.609 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2)CC(C)(C)C ZINC001368062800 1339183326 /nfs/dbraw/zinc/18/33/26/1339183326.db2.gz KJEKDHRMUMSTIF-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2)CC(C)(C)C ZINC001368062800 1339183327 /nfs/dbraw/zinc/18/33/27/1339183327.db2.gz KJEKDHRMUMSTIF-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC001368070468 1339185843 /nfs/dbraw/zinc/18/58/43/1339185843.db2.gz WSLBLRVOXHOVRE-HXUWFJFHSA-N 1 3 347.478 2.592 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001368231465 1339275998 /nfs/dbraw/zinc/27/59/98/1339275998.db2.gz SJPQRKBKBXCMHI-TZIWHRDSSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001368231465 1339276000 /nfs/dbraw/zinc/27/60/00/1339276000.db2.gz SJPQRKBKBXCMHI-TZIWHRDSSA-N 1 3 345.531 2.991 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363598 1339316387 /nfs/dbraw/zinc/31/63/87/1339316387.db2.gz LCLOQKJUCFVWAB-AKHDSKFASA-N 1 3 337.552 2.645 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C1 ZINC001368363598 1339316390 /nfs/dbraw/zinc/31/63/90/1339316390.db2.gz LCLOQKJUCFVWAB-AKHDSKFASA-N 1 3 337.552 2.645 20 0 EFADHO Cc1ccccc1CN1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001368463282 1339400977 /nfs/dbraw/zinc/40/09/77/1339400977.db2.gz YOKJYBBSOQTNNH-FQEVSTJZSA-N 1 3 343.515 2.904 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]C/C=C/c2ccccc2)CCC1)N(C)C ZINC001368481930 1339418661 /nfs/dbraw/zinc/41/86/61/1339418661.db2.gz BFOQMWRNOPAISL-HCWHUNCVSA-N 1 3 329.488 2.669 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001368497003 1339434858 /nfs/dbraw/zinc/43/48/58/1339434858.db2.gz QXYYVZORQGONQM-OAGGEKHMSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001368500408 1339438304 /nfs/dbraw/zinc/43/83/04/1339438304.db2.gz KWIHZUVXFCWDJA-KMMGPNSYSA-N 1 3 329.488 2.524 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](CCc2ccc(C)cc2)CC1 ZINC001368517173 1339451568 /nfs/dbraw/zinc/45/15/68/1339451568.db2.gz DCIZANYBSYOHAY-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](CCc2ccc(C)cc2)CC1 ZINC001368517173 1339451572 /nfs/dbraw/zinc/45/15/72/1339451572.db2.gz DCIZANYBSYOHAY-FQEVSTJZSA-N 1 3 345.531 2.850 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001368518416 1339454778 /nfs/dbraw/zinc/45/47/78/1339454778.db2.gz COBZPECLGUVLAS-ZXFNITATSA-N 1 3 335.467 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001368522482 1339458596 /nfs/dbraw/zinc/45/85/96/1339458596.db2.gz MXKKIMLYADXYMY-RKOGWWSCSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001368536093 1339474288 /nfs/dbraw/zinc/47/42/88/1339474288.db2.gz UCTBBHYFMGUQBT-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cnccc2C)CC1 ZINC001368536093 1339474294 /nfs/dbraw/zinc/47/42/94/1339474294.db2.gz UCTBBHYFMGUQBT-IBGZPJMESA-N 1 3 346.519 2.593 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001368552905 1339492196 /nfs/dbraw/zinc/49/21/96/1339492196.db2.gz JKTZIISKCSWSDE-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCCN1C ZINC001368552905 1339492198 /nfs/dbraw/zinc/49/21/98/1339492198.db2.gz JKTZIISKCSWSDE-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(Cl)s1 ZINC001368563051 1339509432 /nfs/dbraw/zinc/50/94/32/1339509432.db2.gz BBUSLHGARATWDY-ZDUSSCGKSA-N 1 3 343.924 2.634 20 0 EFADHO CN(CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)s1 ZINC001368563051 1339509435 /nfs/dbraw/zinc/50/94/35/1339509435.db2.gz BBUSLHGARATWDY-ZDUSSCGKSA-N 1 3 343.924 2.634 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(Cl)s1 ZINC001368563047 1339509669 /nfs/dbraw/zinc/50/96/69/1339509669.db2.gz BBUSLHGARATWDY-CYBMUJFWSA-N 1 3 343.924 2.634 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(Cl)s1 ZINC001368563047 1339509671 /nfs/dbraw/zinc/50/96/71/1339509671.db2.gz BBUSLHGARATWDY-CYBMUJFWSA-N 1 3 343.924 2.634 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001368562348 1339507910 /nfs/dbraw/zinc/50/79/10/1339507910.db2.gz NIEZATAJHAAXTD-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)c(F)c1)N(C)C ZINC001368562348 1339507914 /nfs/dbraw/zinc/50/79/14/1339507914.db2.gz NIEZATAJHAAXTD-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368568326 1339517568 /nfs/dbraw/zinc/51/75/68/1339517568.db2.gz OYLOLTYAZOMAAB-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCN(C)CCC(F)(F)F ZINC001368568326 1339517570 /nfs/dbraw/zinc/51/75/70/1339517570.db2.gz OYLOLTYAZOMAAB-CQSZACIVSA-N 1 3 337.430 2.594 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001368574813 1339523967 /nfs/dbraw/zinc/52/39/67/1339523967.db2.gz QXLFCZVDIOMENS-IYARVYRRSA-N 1 3 343.515 2.772 20 0 EFADHO CC[NH2+]CC1(c2ccccc2)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001368678444 1339594184 /nfs/dbraw/zinc/59/41/84/1339594184.db2.gz QBQZGLUWNAKAGY-UHFFFAOYSA-N 1 3 343.515 2.641 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C)cs1 ZINC001368685917 1339599498 /nfs/dbraw/zinc/59/94/98/1339599498.db2.gz DUBKEXSTLQGMCF-YOEHRIQHSA-N 1 3 337.533 2.867 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001368705031 1339624437 /nfs/dbraw/zinc/62/44/37/1339624437.db2.gz KPTBYQYTBFTXRS-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@H](C)C1 ZINC001368705031 1339624440 /nfs/dbraw/zinc/62/44/40/1339624440.db2.gz KPTBYQYTBFTXRS-CRAIPNDOSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001368705035 1339624825 /nfs/dbraw/zinc/62/48/25/1339624825.db2.gz KPTBYQYTBFTXRS-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)[C@@H](C)C1 ZINC001368705035 1339624829 /nfs/dbraw/zinc/62/48/29/1339624829.db2.gz KPTBYQYTBFTXRS-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1nsc2ccccc12)N(C)C ZINC001368743856 1339667255 /nfs/dbraw/zinc/66/72/55/1339667255.db2.gz PJXBSZFOQKBYQE-BBRMVZONSA-N 1 3 348.516 2.621 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001368750035 1339674056 /nfs/dbraw/zinc/67/40/56/1339674056.db2.gz QTIFCCGKKZTZOH-MAUKXSAKSA-N 1 3 337.483 2.705 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001368750036 1339674121 /nfs/dbraw/zinc/67/41/21/1339674121.db2.gz QTIFCCGKKZTZOH-YJBOKZPZSA-N 1 3 337.483 2.705 20 0 EFADHO CCC[N@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001368773839 1339692416 /nfs/dbraw/zinc/69/24/16/1339692416.db2.gz CVSVTDJOFILGHS-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CCC[N@@H+](CC)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001368773839 1339692418 /nfs/dbraw/zinc/69/24/18/1339692418.db2.gz CVSVTDJOFILGHS-UHFFFAOYSA-N 1 3 325.541 2.935 20 0 EFADHO CC[N@H+](CCC(F)(F)F)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368776175 1339701382 /nfs/dbraw/zinc/70/13/82/1339701382.db2.gz HVVMPXPXIZGGGW-OAHLLOKOSA-N 1 3 349.441 2.594 20 0 EFADHO CC[N@@H+](CCC(F)(F)F)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001368776175 1339701384 /nfs/dbraw/zinc/70/13/84/1339701384.db2.gz HVVMPXPXIZGGGW-OAHLLOKOSA-N 1 3 349.441 2.594 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cc(F)ccc1C ZINC001368818097 1339758655 /nfs/dbraw/zinc/75/86/55/1339758655.db2.gz VVRKQQOAEPVKDB-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CN(C)Cc1cc(F)ccc1C ZINC001368818097 1339758657 /nfs/dbraw/zinc/75/86/57/1339758657.db2.gz VVRKQQOAEPVKDB-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)CN2CC[C@@H](C)C2)cc1 ZINC001368920586 1339866533 /nfs/dbraw/zinc/86/65/33/1339866533.db2.gz YNULIFYLLBXHGG-GOSISDBHSA-N 1 3 345.531 2.911 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001369085357 1339904679 /nfs/dbraw/zinc/90/46/79/1339904679.db2.gz VTAXAAPOQDZBBJ-MRXNPFEDSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369085495 1339904686 /nfs/dbraw/zinc/90/46/86/1339904686.db2.gz WDTQKITVEGEIBB-IAGOWNOFSA-N 1 3 343.515 2.977 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001370519228 1340112792 /nfs/dbraw/zinc/11/27/92/1340112792.db2.gz HEVYBNYYRKPHFV-RWQQGDIJSA-N 1 3 329.488 2.641 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C1)N(C)C ZINC001370520753 1340113749 /nfs/dbraw/zinc/11/37/49/1340113749.db2.gz KHSJSRQYVNGXGF-BJLQDIEVSA-N 1 3 339.483 2.917 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001370522446 1340114021 /nfs/dbraw/zinc/11/40/21/1340114021.db2.gz MYOGZPDARMELAO-STECZYCISA-N 1 3 337.895 2.978 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001370534947 1340120965 /nfs/dbraw/zinc/12/09/65/1340120965.db2.gz TXHGVBIUNQKMSG-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001370534947 1340120968 /nfs/dbraw/zinc/12/09/68/1340120968.db2.gz TXHGVBIUNQKMSG-KRWDZBQOSA-N 1 3 340.556 2.870 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001370969490 1340314497 /nfs/dbraw/zinc/31/44/97/1340314497.db2.gz VPXSGEWAIVVTIS-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3cccc(F)c3)C[C@H]21)[NH+](C)C ZINC001371035898 1340328402 /nfs/dbraw/zinc/32/84/02/1340328402.db2.gz VIBCXCIIBIFFJA-RBPQIDMKSA-N 1 3 347.478 2.519 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041468 1340329065 /nfs/dbraw/zinc/32/90/65/1340329065.db2.gz FTXVNZQIPXIDPA-UJMXGEILSA-N 1 3 343.515 2.770 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001371041468 1340329068 /nfs/dbraw/zinc/32/90/68/1340329068.db2.gz FTXVNZQIPXIDPA-UJMXGEILSA-N 1 3 343.515 2.770 20 0 EFADHO CC(C)Oc1cccc(C[NH2+][C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001371202636 1340413910 /nfs/dbraw/zinc/41/39/10/1340413910.db2.gz NFGSLRIKLCQDDR-INIZCTEOSA-N 1 3 347.503 2.552 20 0 EFADHO Cc1cncc(CN[C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001371312801 1340490777 /nfs/dbraw/zinc/49/07/77/1340490777.db2.gz QTIWRNDXUMYJSL-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO Cc1cncc(CN[C@@H](C)CNC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC001371312801 1340490782 /nfs/dbraw/zinc/49/07/82/1340490782.db2.gz QTIWRNDXUMYJSL-KRWDZBQOSA-N 1 3 346.519 2.639 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001390850863 1354433509 /nfs/dbraw/zinc/43/35/09/1354433509.db2.gz SKIVCHFBSIJLSI-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001390850863 1354433515 /nfs/dbraw/zinc/43/35/15/1354433515.db2.gz SKIVCHFBSIJLSI-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001390850861 1354434239 /nfs/dbraw/zinc/43/42/39/1354434239.db2.gz SKIVCHFBSIJLSI-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001371659811 1340687145 /nfs/dbraw/zinc/68/71/45/1340687145.db2.gz OZLPFYXXAMECMS-MOPGFXCFSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001371869947 1340731282 /nfs/dbraw/zinc/73/12/82/1340731282.db2.gz QAXMECOQAKWKOB-UZLBHIALSA-N 1 3 345.531 2.746 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)c(Cl)c1 ZINC001372922088 1340855400 /nfs/dbraw/zinc/85/54/00/1340855400.db2.gz LCVDQPZWIQFAAV-LRDDRELGSA-N 1 3 341.858 2.682 20 0 EFADHO C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCN1C)c1ccc(F)c(Cl)c1 ZINC001372922094 1340855430 /nfs/dbraw/zinc/85/54/30/1340855430.db2.gz LCVDQPZWIQFAAV-WBMJQRKESA-N 1 3 341.858 2.682 20 0 EFADHO CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001373128326 1340917888 /nfs/dbraw/zinc/91/78/88/1340917888.db2.gz SEOXCSDWVXMFOJ-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001373239878 1340963303 /nfs/dbraw/zinc/96/33/03/1340963303.db2.gz SXMGOHIMJZCAKG-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001373239878 1340963304 /nfs/dbraw/zinc/96/33/04/1340963304.db2.gz SXMGOHIMJZCAKG-SFHVURJKSA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373314989 1340987756 /nfs/dbraw/zinc/98/77/56/1340987756.db2.gz HDPWQPRXJLYZMM-MJGOQNOKSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001373314989 1340987757 /nfs/dbraw/zinc/98/77/57/1340987757.db2.gz HDPWQPRXJLYZMM-MJGOQNOKSA-N 1 3 337.552 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@H+](C)CCc2ccccc2)CC1 ZINC001373331212 1340993758 /nfs/dbraw/zinc/99/37/58/1340993758.db2.gz YMTGIZJCKFPLFN-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[N@@H+](C)CCc2ccccc2)CC1 ZINC001373331212 1340993760 /nfs/dbraw/zinc/99/37/60/1340993760.db2.gz YMTGIZJCKFPLFN-UHFFFAOYSA-N 1 3 345.531 2.741 20 0 EFADHO CCc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373380352 1341005845 /nfs/dbraw/zinc/00/58/45/1341005845.db2.gz AAESXCRZHFHQCC-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373383689 1341007257 /nfs/dbraw/zinc/00/72/57/1341007257.db2.gz VFWOADSVHFSZMW-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(CN2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001373386463 1341008253 /nfs/dbraw/zinc/00/82/53/1341008253.db2.gz IQCAWNXAJJKXQE-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001373516633 1341042842 /nfs/dbraw/zinc/04/28/42/1341042842.db2.gz UUMBTAQKHUOMGE-IBGZPJMESA-N 1 3 349.494 2.531 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+](Cc2c(C)cccc2C)C1 ZINC001373516636 1341042879 /nfs/dbraw/zinc/04/28/79/1341042879.db2.gz UUMBTAQKHUOMGE-LJQANCHMSA-N 1 3 349.494 2.531 20 0 EFADHO Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373545641 1341050113 /nfs/dbraw/zinc/05/01/13/1341050113.db2.gz KRHJRHZYGNMDPH-FQEVSTJZSA-N 1 3 345.531 2.562 20 0 EFADHO CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001373545295 1341050218 /nfs/dbraw/zinc/05/02/18/1341050218.db2.gz HPIKJTXQQKXASE-RTBURBONSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001373579092 1341059338 /nfs/dbraw/zinc/05/93/38/1341059338.db2.gz TXTBQIVHVXMTEA-GBESFXJTSA-N 1 3 329.488 2.765 20 0 EFADHO CC[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001373579092 1341059340 /nfs/dbraw/zinc/05/93/40/1341059340.db2.gz TXTBQIVHVXMTEA-GBESFXJTSA-N 1 3 329.488 2.765 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN([C@@H]2CCc3c2cccc3F)C1 ZINC001373680383 1341097402 /nfs/dbraw/zinc/09/74/02/1341097402.db2.gz NEBCWESXZCYHST-HNAYVOBHSA-N 1 3 347.478 2.688 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001373760690 1341137806 /nfs/dbraw/zinc/13/78/06/1341137806.db2.gz VEBLSTWTVIRSSM-RHSMWYFYSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001373760695 1341137877 /nfs/dbraw/zinc/13/78/77/1341137877.db2.gz VEBLSTWTVIRSSM-WMLDXEAASA-N 1 3 335.467 2.855 20 0 EFADHO Cc1cc(C[NH2+]C[C@@](C)(NC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001373875386 1341184049 /nfs/dbraw/zinc/18/40/49/1341184049.db2.gz BWUWPYXAMJGNBU-LJQANCHMSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cc(C[NH2+]C[C@](C)(NC(=O)CN(C)C2CCC2)C2CC2)cs1 ZINC001373875383 1341184058 /nfs/dbraw/zinc/18/40/58/1341184058.db2.gz BWUWPYXAMJGNBU-IBGZPJMESA-N 1 3 349.544 2.915 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@](C)(NC(=O)CN(C)C1CCC1)C1CC1 ZINC001373879091 1341185711 /nfs/dbraw/zinc/18/57/11/1341185711.db2.gz KKIOTORQFVRSBJ-OAQYLSRUSA-N 1 3 343.515 2.854 20 0 EFADHO CC1CC(C[NH2+]C[C@](C)(NC(=O)CN(C)CC(C)(C)C)C2CC2)C1 ZINC001373887812 1341189154 /nfs/dbraw/zinc/18/91/54/1341189154.db2.gz CFZNFNLIOFANCG-PMTKGXAQSA-N 1 3 337.552 2.885 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](CC2CC(F)(F)C2)CC1)N(C)C ZINC001373951296 1341243953 /nfs/dbraw/zinc/24/39/53/1341243953.db2.gz XPIFSKYRENIYNL-INIZCTEOSA-N 1 3 345.478 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001373982648 1341275990 /nfs/dbraw/zinc/27/59/90/1341275990.db2.gz VUIBHKVQCPXZIV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001373982648 1341275991 /nfs/dbraw/zinc/27/59/91/1341275991.db2.gz VUIBHKVQCPXZIV-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cs1 ZINC001374014100 1341302644 /nfs/dbraw/zinc/30/26/44/1341302644.db2.gz NPSNBZGHLNIUBQ-RHSMWYFYSA-N 1 3 337.533 2.771 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001374067930 1341358188 /nfs/dbraw/zinc/35/81/88/1341358188.db2.gz COTMAFYCMGOPPB-RDTXWAMCSA-N 1 3 337.483 2.562 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1sccc1Cl ZINC001374068609 1341359374 /nfs/dbraw/zinc/35/93/74/1341359374.db2.gz AJQVTVUQHUTHRE-QWHCGFSZSA-N 1 3 343.924 2.585 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1)N(C)C ZINC001374098903 1341402541 /nfs/dbraw/zinc/40/25/41/1341402541.db2.gz PNMXVLMPPMSLER-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)C2)CCCC1 ZINC001374156569 1341471913 /nfs/dbraw/zinc/47/19/13/1341471913.db2.gz CYQXQCAWCZTUTP-DAWZGUTISA-N 1 3 335.536 2.924 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001374191955 1341537490 /nfs/dbraw/zinc/53/74/90/1341537490.db2.gz UMMJLNXEEUUJPF-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1 ZINC001374191955 1341537492 /nfs/dbraw/zinc/53/74/92/1341537492.db2.gz UMMJLNXEEUUJPF-UHFFFAOYSA-N 1 3 343.515 2.843 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001374233507 1341586103 /nfs/dbraw/zinc/58/61/03/1341586103.db2.gz NBFPQWXBQYTYKB-QFBILLFUSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C2CCC2)cc1C ZINC001374233369 1341586358 /nfs/dbraw/zinc/58/63/58/1341586358.db2.gz MWACZEZZXUEKLL-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1C ZINC001374248095 1341606338 /nfs/dbraw/zinc/60/63/38/1341606338.db2.gz XUSOOGBDEDKPBA-BEFAXECRSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001374318928 1341713717 /nfs/dbraw/zinc/71/37/17/1341713717.db2.gz FYOYRGYVSBIYCC-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001392100975 1355766429 /nfs/dbraw/zinc/76/64/29/1355766429.db2.gz PBSXZRDPNBJKAR-OAHLLOKOSA-N 1 3 337.483 2.740 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC1CCC(F)(F)CC1 ZINC001374321630 1341720500 /nfs/dbraw/zinc/72/05/00/1341720500.db2.gz PUTBDDDNNADYJL-AWEZNQCLSA-N 1 3 333.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)[C@@H](C)C1 ZINC001374380722 1341828845 /nfs/dbraw/zinc/82/88/45/1341828845.db2.gz DKRGMKAXEOIHCM-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO COc1ccc(CN(C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001392313526 1355972501 /nfs/dbraw/zinc/97/25/01/1355972501.db2.gz NVMLPWXLGCPVMX-UHFFFAOYSA-N 1 3 349.519 2.563 20 0 EFADHO COc1ccc(CN(C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001392313526 1355972514 /nfs/dbraw/zinc/97/25/14/1355972514.db2.gz NVMLPWXLGCPVMX-UHFFFAOYSA-N 1 3 349.519 2.563 20 0 EFADHO C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNCc1ccccc1F ZINC001374399654 1341861447 /nfs/dbraw/zinc/86/14/47/1341861447.db2.gz XXPOEBXYZBBXQL-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001374404588 1341873236 /nfs/dbraw/zinc/87/32/36/1341873236.db2.gz PPSYIDHVHAJHIH-NKELODKYSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)N1CCC(CC[N@@H+](C)CC2CC(C)C2)CC1)N(C)C ZINC001374404588 1341873238 /nfs/dbraw/zinc/87/32/38/1341873238.db2.gz PPSYIDHVHAJHIH-NKELODKYSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(F)cc1F)C(C)C)N(C)C ZINC001374435792 1341919517 /nfs/dbraw/zinc/91/95/17/1341919517.db2.gz MQNVRWDYVXBXFB-SJORKVTESA-N 1 3 341.446 2.535 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001374498633 1341982672 /nfs/dbraw/zinc/98/26/72/1341982672.db2.gz FTTKPSGKZBMGHU-LJQANCHMSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)CN(C)C1CCC1 ZINC001374498633 1341982676 /nfs/dbraw/zinc/98/26/76/1341982676.db2.gz FTTKPSGKZBMGHU-LJQANCHMSA-N 1 3 347.478 2.688 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)[C@H]2CCCc3ccccc32)CCC1 ZINC001374498622 1341982784 /nfs/dbraw/zinc/98/27/84/1341982784.db2.gz FOSBJBMCDMQMGW-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)[C@H]2CCCc3ccccc32)CCC1 ZINC001374498622 1341982787 /nfs/dbraw/zinc/98/27/87/1341982787.db2.gz FOSBJBMCDMQMGW-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC[N@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCCN1C ZINC001374524946 1342018439 /nfs/dbraw/zinc/01/84/39/1342018439.db2.gz JKRCVDMCBSBANK-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccccc1C1CC1)C(=O)[C@@H]1CCCCN1C ZINC001374524946 1342018448 /nfs/dbraw/zinc/01/84/48/1342018448.db2.gz JKRCVDMCBSBANK-FQEVSTJZSA-N 1 3 343.515 2.939 20 0 EFADHO C[C@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001392694912 1356248600 /nfs/dbraw/zinc/24/86/00/1356248600.db2.gz ORARSUKJHJCRIH-RDTXWAMCSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001392725951 1356284732 /nfs/dbraw/zinc/28/47/32/1356284732.db2.gz JNJYWVNYSMUITB-QGZVFWFLSA-N 1 3 349.494 2.947 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001374557692 1342070500 /nfs/dbraw/zinc/07/05/00/1342070500.db2.gz OPRQNJCBYDMQMF-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)Cc1cccc(C)c1 ZINC001374557692 1342070504 /nfs/dbraw/zinc/07/05/04/1342070504.db2.gz OPRQNJCBYDMQMF-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001374722959 1342138276 /nfs/dbraw/zinc/13/82/76/1342138276.db2.gz LHAMDHIJBBMGTE-ROUUACIJSA-N 1 3 335.467 2.591 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1F ZINC001374815164 1342186327 /nfs/dbraw/zinc/18/63/27/1342186327.db2.gz WHWAIXOQOXPSGJ-OAHLLOKOSA-N 1 3 337.483 2.706 20 0 EFADHO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CN(C)C1CCC1 ZINC001374897882 1342229762 /nfs/dbraw/zinc/22/97/62/1342229762.db2.gz GLISHESDKOUMEO-HNAYVOBHSA-N 1 3 329.488 2.643 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001374906397 1342233847 /nfs/dbraw/zinc/23/38/47/1342233847.db2.gz OGQBLXCAZMOLLN-AWEZNQCLSA-N 1 3 335.879 2.563 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001393119176 1356618525 /nfs/dbraw/zinc/61/85/25/1356618525.db2.gz GSPHVHAODLIKGZ-ICSRJNTNSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001393119176 1356618529 /nfs/dbraw/zinc/61/85/29/1356618529.db2.gz GSPHVHAODLIKGZ-ICSRJNTNSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN(C)Cc2cccc(F)c2)CC1 ZINC001375129996 1342441935 /nfs/dbraw/zinc/44/19/35/1342441935.db2.gz XCLXZALCDVLGSN-INIZCTEOSA-N 1 3 349.494 2.883 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001375178762 1342494328 /nfs/dbraw/zinc/49/43/28/1342494328.db2.gz VZTXWSZVKHIBEK-HZPDHXFCSA-N 1 3 345.478 2.638 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCc2ccccc2F)C1 ZINC001393386753 1356807335 /nfs/dbraw/zinc/80/73/35/1356807335.db2.gz IBXMHKVCORNWNZ-SJLPKXTDSA-N 1 3 349.494 2.537 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccccc1Cl)C1CC1)C1CCC1 ZINC001375229581 1342532905 /nfs/dbraw/zinc/53/29/05/1342532905.db2.gz NUUFBAVAOLRIGZ-GOSISDBHSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c(C)c1 ZINC001375254343 1342558197 /nfs/dbraw/zinc/55/81/97/1342558197.db2.gz FTIDAJSEMPGBAA-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1ccc(Cl)cc1)C1CC1)N(C)C ZINC001375255616 1342559800 /nfs/dbraw/zinc/55/98/00/1342559800.db2.gz BNTNISOMQNTSDI-SJORKVTESA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](CC)C1 ZINC001375287822 1342595851 /nfs/dbraw/zinc/59/58/51/1342595851.db2.gz OIGZXFJSZMWMHU-OALUTQOASA-N 1 3 331.504 2.745 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cccc(C)c2)CC1 ZINC001375424146 1342727449 /nfs/dbraw/zinc/72/74/49/1342727449.db2.gz ARVSSSUOFOJQFX-GOSISDBHSA-N 1 3 329.488 2.608 20 0 EFADHO CN(CC(=O)NCC1([NH2+]CCc2cccs2)CC1)CC(C)(C)C ZINC001375492234 1342798590 /nfs/dbraw/zinc/79/85/90/1342798590.db2.gz TXMHSHKORSNYOW-UHFFFAOYSA-N 1 3 337.533 2.507 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001375519549 1342828542 /nfs/dbraw/zinc/82/85/42/1342828542.db2.gz RCFMSXOIKXTCRZ-HDICACEKSA-N 1 3 340.471 2.508 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001375533472 1342844521 /nfs/dbraw/zinc/84/45/21/1342844521.db2.gz DUBMQPRDMKKIKS-DFEHZGFQSA-N 1 3 335.467 2.711 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001375553279 1342868817 /nfs/dbraw/zinc/86/88/17/1342868817.db2.gz FKUHLRMIUZVSGK-IYARVYRRSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2nc[nH]c2C)C1)c1ccccc1 ZINC001375554786 1342869809 /nfs/dbraw/zinc/86/98/09/1342869809.db2.gz SJXOPIANVPRANY-KBAYOESNSA-N 1 3 340.471 2.896 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001375559377 1342874985 /nfs/dbraw/zinc/87/49/85/1342874985.db2.gz UYVNSONAOWIHDJ-BHIYHBOVSA-N 1 3 331.504 2.628 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001375769307 1342990133 /nfs/dbraw/zinc/99/01/33/1342990133.db2.gz XQLNKYDOTPQYCQ-SFHVURJKSA-N 1 3 335.467 2.579 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001375838239 1343074358 /nfs/dbraw/zinc/07/43/58/1343074358.db2.gz PHXWLYJUEQUODN-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2Cl)C1 ZINC001375882444 1343128344 /nfs/dbraw/zinc/12/83/44/1343128344.db2.gz GGTWBYYYBCWTLB-IEBWSBKVSA-N 1 3 349.906 2.762 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001375962709 1343222414 /nfs/dbraw/zinc/22/24/14/1343222414.db2.gz ZXHBWFHZTXHYRL-FPOVZHCZSA-N 1 3 345.531 2.788 20 0 EFADHO CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001375962709 1343222415 /nfs/dbraw/zinc/22/24/15/1343222415.db2.gz ZXHBWFHZTXHYRL-FPOVZHCZSA-N 1 3 345.531 2.788 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(N(C)C(=O)CN(C)C2CCC2)CC1 ZINC001376017033 1343262077 /nfs/dbraw/zinc/26/20/77/1343262077.db2.gz RJXDGIFEOVMUQQ-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001376080418 1343311838 /nfs/dbraw/zinc/31/18/38/1343311838.db2.gz ZAIFCCKMAGMLIQ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC001376080418 1343311843 /nfs/dbraw/zinc/31/18/43/1343311843.db2.gz ZAIFCCKMAGMLIQ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1)CC2)N(C)C ZINC001376173627 1343373971 /nfs/dbraw/zinc/37/39/71/1343373971.db2.gz OJCRLLDFSUPBTK-MOPGFXCFSA-N 1 3 343.515 2.744 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC12CC[NH+](C[C@H](C)CC(C)C)CC2 ZINC001376174836 1343374973 /nfs/dbraw/zinc/37/49/73/1343374973.db2.gz CQNCNTDBYWRUHT-QZTJIDSGSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]([NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccc(F)cc1 ZINC001376223090 1343408626 /nfs/dbraw/zinc/40/86/26/1343408626.db2.gz ZWBITZMSMLKGSZ-KSSFIOAISA-N 1 3 347.478 2.855 20 0 EFADHO C[C@H](N[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1)c1ccccc1F ZINC001376245871 1343424013 /nfs/dbraw/zinc/42/40/13/1343424013.db2.gz VTFMXVZUCSLPGV-IFXJQAMLSA-N 1 3 347.478 2.713 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(Cl)s1)C1CC1)N(C)C ZINC001376265142 1343438156 /nfs/dbraw/zinc/43/81/56/1343438156.db2.gz VMMJRGITCNCUMP-KBPBESRZSA-N 1 3 343.924 2.726 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1)C1CCC1 ZINC001376371109 1343522116 /nfs/dbraw/zinc/52/21/16/1343522116.db2.gz IPXQUOSVFLEXCC-BXWFABGCSA-N 1 3 345.462 2.534 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1)N(C)C ZINC001376376429 1343527988 /nfs/dbraw/zinc/52/79/88/1343527988.db2.gz HYWJUXMPNDOFTF-HWSBLYTCSA-N 1 3 335.536 2.732 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1)N(C)C ZINC001376376429 1343527990 /nfs/dbraw/zinc/52/79/90/1343527990.db2.gz HYWJUXMPNDOFTF-HWSBLYTCSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001376404667 1343560049 /nfs/dbraw/zinc/56/00/49/1343560049.db2.gz WKUGKNNQGKTROC-ADAWSYLGSA-N 1 3 335.467 2.710 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2F)C1)N(C)C ZINC001376410362 1343565175 /nfs/dbraw/zinc/56/51/75/1343565175.db2.gz PSIJRSDHVLLXQG-YDHLFZDLSA-N 1 3 341.858 2.556 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001376508393 1343635881 /nfs/dbraw/zinc/63/58/81/1343635881.db2.gz IAKLZLBGMUJFGN-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001376508393 1343635883 /nfs/dbraw/zinc/63/58/83/1343635883.db2.gz IAKLZLBGMUJFGN-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001376508395 1343635888 /nfs/dbraw/zinc/63/58/88/1343635888.db2.gz IAKLZLBGMUJFGN-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CCC1 ZINC001376508395 1343635891 /nfs/dbraw/zinc/63/58/91/1343635891.db2.gz IAKLZLBGMUJFGN-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCN(CCC(F)(F)F)C1 ZINC001376527960 1343653313 /nfs/dbraw/zinc/65/33/13/1343653313.db2.gz HYJBHGXWQQBSTA-OAHLLOKOSA-N 1 3 349.441 2.643 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ccccc1F ZINC001376729780 1343788097 /nfs/dbraw/zinc/78/80/97/1343788097.db2.gz XYHKMYJYUZURKC-OAHLLOKOSA-N 1 3 335.467 2.685 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)c1 ZINC001376747181 1343802410 /nfs/dbraw/zinc/80/24/10/1343802410.db2.gz PWASYIWPIFMRDG-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001376751732 1343807714 /nfs/dbraw/zinc/80/77/14/1343807714.db2.gz XYPLIXIMMZYBMR-CJNGLKHVSA-N 1 3 325.884 2.521 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001376751730 1343807823 /nfs/dbraw/zinc/80/78/23/1343807823.db2.gz XYPLIXIMMZYBMR-BBRMVZONSA-N 1 3 325.884 2.521 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001376812684 1343864403 /nfs/dbraw/zinc/86/44/03/1343864403.db2.gz QQTKBSYIRFMFHB-CABCVRRESA-N 1 3 337.483 2.959 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001376849045 1343889861 /nfs/dbraw/zinc/88/98/61/1343889861.db2.gz MJSNCVKAOIIZRL-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1cccc(F)c1 ZINC001376875991 1343911616 /nfs/dbraw/zinc/91/16/16/1343911616.db2.gz GLOONDUKTQKOSV-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376909406 1343947378 /nfs/dbraw/zinc/94/73/78/1343947378.db2.gz KVELSUNSQVLAEF-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376909406 1343947381 /nfs/dbraw/zinc/94/73/81/1343947381.db2.gz KVELSUNSQVLAEF-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912681 1343951253 /nfs/dbraw/zinc/95/12/53/1343951253.db2.gz VNHOFQOAGVWUBJ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001376912681 1343951256 /nfs/dbraw/zinc/95/12/56/1343951256.db2.gz VNHOFQOAGVWUBJ-YJBOKZPZSA-N 1 3 335.467 2.761 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001376914664 1343953500 /nfs/dbraw/zinc/95/35/00/1343953500.db2.gz TYZCIFSIOGOQNJ-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001376914664 1343953505 /nfs/dbraw/zinc/95/35/05/1343953505.db2.gz TYZCIFSIOGOQNJ-SFHVURJKSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001393790424 1357160402 /nfs/dbraw/zinc/16/04/02/1357160402.db2.gz URHILXWLUZOLNB-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccc(C)cc2)[C@@H](C)C1 ZINC001393790424 1357160403 /nfs/dbraw/zinc/16/04/03/1357160403.db2.gz URHILXWLUZOLNB-ICSRJNTNSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001377006229 1344051688 /nfs/dbraw/zinc/05/16/88/1344051688.db2.gz XPKRYXUGZFCUDD-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC001377006229 1344051698 /nfs/dbraw/zinc/05/16/98/1344051698.db2.gz XPKRYXUGZFCUDD-SFHVURJKSA-N 1 3 337.483 2.755 20 0 EFADHO Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001377065518 1344110693 /nfs/dbraw/zinc/11/06/93/1344110693.db2.gz CAUGZGMEVSWKKF-CXAGYDPISA-N 1 3 339.549 2.936 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001377151805 1344141588 /nfs/dbraw/zinc/14/15/88/1344141588.db2.gz SANIDZRKUCTUSD-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H]1CCc2ccc(F)cc21 ZINC001377151805 1344141591 /nfs/dbraw/zinc/14/15/91/1344141591.db2.gz SANIDZRKUCTUSD-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001393803642 1357169780 /nfs/dbraw/zinc/16/97/80/1357169780.db2.gz DGOBBMVPLPNBQZ-HNNXBMFYSA-N 1 3 343.471 2.902 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001377573332 1344183464 /nfs/dbraw/zinc/18/34/64/1344183464.db2.gz ZAAOGRYAENSQOQ-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[N@@H+](CC1CCCCCC1)C1CC1 ZINC001377573332 1344183469 /nfs/dbraw/zinc/18/34/69/1344183469.db2.gz ZAAOGRYAENSQOQ-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO C[C@H]([NH2+]CCc1cccs1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377600712 1344206995 /nfs/dbraw/zinc/20/69/95/1344206995.db2.gz DUHXPHIHBIBMKB-MAUKXSAKSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)N(C)C ZINC001377618359 1344226985 /nfs/dbraw/zinc/22/69/85/1344226985.db2.gz PXDFYIIPIWADSS-RBUKOAKNSA-N 1 3 331.504 2.820 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)N(C)C ZINC001377618361 1344227234 /nfs/dbraw/zinc/22/72/34/1344227234.db2.gz PXDFYIIPIWADSS-RTBURBONSA-N 1 3 331.504 2.820 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001377703707 1344345016 /nfs/dbraw/zinc/34/50/16/1344345016.db2.gz XGXGTOSBTMCNEK-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001377703707 1344345033 /nfs/dbraw/zinc/34/50/33/1344345033.db2.gz XGXGTOSBTMCNEK-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001393816818 1357181184 /nfs/dbraw/zinc/18/11/84/1357181184.db2.gz PHJFGLFEIRIFFP-YOEHRIQHSA-N 1 3 331.460 2.757 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001377720568 1344367819 /nfs/dbraw/zinc/36/78/19/1344367819.db2.gz QRRLCUZQEWDUHA-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C)C1)N(C)C ZINC001377720568 1344367821 /nfs/dbraw/zinc/36/78/21/1344367821.db2.gz QRRLCUZQEWDUHA-APWZRJJASA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2CC)C1 ZINC001377764069 1344415148 /nfs/dbraw/zinc/41/51/48/1344415148.db2.gz TUFPWXSXPBNBSK-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2CC)C1 ZINC001377764069 1344415153 /nfs/dbraw/zinc/41/51/53/1344415153.db2.gz TUFPWXSXPBNBSK-GOSISDBHSA-N 1 3 345.531 2.871 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001377792534 1344445733 /nfs/dbraw/zinc/44/57/33/1344445733.db2.gz UJNSLCNEICPGBL-BHMZLHOFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001377792534 1344445736 /nfs/dbraw/zinc/44/57/36/1344445736.db2.gz UJNSLCNEICPGBL-BHMZLHOFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)C/C=C/Cl)CC1 ZINC001377792535 1344446417 /nfs/dbraw/zinc/44/64/17/1344446417.db2.gz UJNSLCNEICPGBL-DKISHCGFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001377792535 1344446418 /nfs/dbraw/zinc/44/64/18/1344446418.db2.gz UJNSLCNEICPGBL-DKISHCGFSA-N 1 3 341.927 2.784 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC1C[NH+](Cc2ccc(C)cc2C)C1 ZINC001377975978 1344630576 /nfs/dbraw/zinc/63/05/76/1344630576.db2.gz VALOIEVXJISPGR-IBGZPJMESA-N 1 3 349.494 2.531 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1CN(Cc2cccc3ccccc32)C1 ZINC001377983313 1344636877 /nfs/dbraw/zinc/63/68/77/1344636877.db2.gz JOJPTBOTXRFWAX-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001377991263 1344641821 /nfs/dbraw/zinc/64/18/21/1344641821.db2.gz CSVUUJBDCUQLNH-HXUWFJFHSA-N 1 3 345.531 2.562 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001378164714 1344833052 /nfs/dbraw/zinc/83/30/52/1344833052.db2.gz KIAOSIPKBNFHSP-FQEVSTJZSA-N 1 3 343.515 2.550 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001378176802 1344848748 /nfs/dbraw/zinc/84/87/48/1344848748.db2.gz GUIBIHZICXTZLN-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001378176802 1344848752 /nfs/dbraw/zinc/84/87/52/1344848752.db2.gz GUIBIHZICXTZLN-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC/C=C/c1ccccc1 ZINC001378207217 1344889749 /nfs/dbraw/zinc/88/97/49/1344889749.db2.gz VHYKSNHKXPNHGG-AYAUWGRQSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC/C=C/c1ccccc1 ZINC001378207217 1344889750 /nfs/dbraw/zinc/88/97/50/1344889750.db2.gz VHYKSNHKXPNHGG-AYAUWGRQSA-N 1 3 340.471 2.801 20 0 EFADHO CN(CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1)C1CCC1 ZINC001378358209 1345010750 /nfs/dbraw/zinc/01/07/50/1345010750.db2.gz ZGHDOGSDSLETGB-UHFFFAOYSA-N 1 3 329.488 2.690 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]Cc3cccc(F)c3)CCCC2)C1 ZINC001378361855 1345012646 /nfs/dbraw/zinc/01/26/46/1345012646.db2.gz FOCZBAJSEGRLIB-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001378532607 1345145271 /nfs/dbraw/zinc/14/52/71/1345145271.db2.gz PLBIXMBIBXNAQA-QGZVFWFLSA-N 1 3 343.515 2.724 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001378564844 1345166384 /nfs/dbraw/zinc/16/63/84/1345166384.db2.gz NGZFLOLCKLDYQV-CRAIPNDOSA-N 1 3 335.467 2.542 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc(C)sc1C)N(C)C ZINC001378610831 1345197022 /nfs/dbraw/zinc/19/70/22/1345197022.db2.gz HYGCEFOYVNKSSF-MLGOLLRUSA-N 1 3 325.522 2.547 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1c(F)cccc1Cl)N(C)C ZINC001378617575 1345201138 /nfs/dbraw/zinc/20/11/38/1345201138.db2.gz UQJDPUWPLVJWIU-LRDDRELGSA-N 1 3 343.874 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001378626519 1345206793 /nfs/dbraw/zinc/20/67/93/1345206793.db2.gz WSEDMXSMSRPMSJ-CHWSQXEVSA-N 1 3 332.423 2.503 20 0 EFADHO CC(C)(C)CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001378721958 1345274870 /nfs/dbraw/zinc/27/48/70/1345274870.db2.gz AYBAYCGALXJLNT-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378779971 1345311071 /nfs/dbraw/zinc/31/10/71/1345311071.db2.gz YDUFBSVNMDRLKX-KSSFIOAISA-N 1 3 347.478 2.734 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)s1)N(C)C(=O)CCC[NH+](C)C ZINC001378815825 1345335436 /nfs/dbraw/zinc/33/54/36/1345335436.db2.gz WGUFATCGQSIPMC-LBPRGKRZSA-N 1 3 331.913 2.680 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001378838786 1345351485 /nfs/dbraw/zinc/35/14/85/1345351485.db2.gz AWMIXEHRMHUMIZ-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC001378838782 1345351846 /nfs/dbraw/zinc/35/18/46/1345351846.db2.gz AWMIXEHRMHUMIZ-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC001378842737 1345355420 /nfs/dbraw/zinc/35/54/20/1345355420.db2.gz MOHXEKFPHLMMIO-QAPCUYQASA-N 1 3 337.483 2.679 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001378847387 1345360395 /nfs/dbraw/zinc/36/03/95/1345360395.db2.gz VETQYMKXERWGOW-HIFRSBDPSA-N 1 3 333.467 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2CC)[C@@H](C)C1 ZINC001378895646 1345404668 /nfs/dbraw/zinc/40/46/68/1345404668.db2.gz JJCIOEIBCRPVKV-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC1CCCC1 ZINC001393879158 1357242908 /nfs/dbraw/zinc/24/29/08/1357242908.db2.gz JQMFLJWWMMNBHH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC1CCCC1 ZINC001393879158 1357242914 /nfs/dbraw/zinc/24/29/14/1357242914.db2.gz JQMFLJWWMMNBHH-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2)C1 ZINC001378931502 1345437011 /nfs/dbraw/zinc/43/70/11/1345437011.db2.gz ZIKKTKCCXLIZGF-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001393882057 1357247863 /nfs/dbraw/zinc/24/78/63/1357247863.db2.gz JNSXLDPZAQREME-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccc(C)cc1)N(C)C ZINC001393882057 1357247868 /nfs/dbraw/zinc/24/78/68/1357247868.db2.gz JNSXLDPZAQREME-UXHICEINSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001379074556 1345555752 /nfs/dbraw/zinc/55/57/52/1345555752.db2.gz JXPMHCVXKKLXSJ-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC001379074556 1345555756 /nfs/dbraw/zinc/55/57/56/1345555756.db2.gz JXPMHCVXKKLXSJ-IBGZPJMESA-N 1 3 331.504 2.678 20 0 EFADHO CN(CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001379082492 1345559417 /nfs/dbraw/zinc/55/94/17/1345559417.db2.gz IJPYBXFCNVVTOX-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@@H]1CCCc2ccc(F)cc21)C(=O)[C@H]1CCCN1C ZINC001379082492 1345559422 /nfs/dbraw/zinc/55/94/22/1345559422.db2.gz IJPYBXFCNVVTOX-RTBURBONSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC/C=C\c2ccccc2)C1 ZINC001379100359 1345577277 /nfs/dbraw/zinc/57/72/77/1345577277.db2.gz SIACZOVHHYICSH-KOTDBNOLSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC/C=C\c2ccccc2)C1 ZINC001379100359 1345577282 /nfs/dbraw/zinc/57/72/82/1345577282.db2.gz SIACZOVHHYICSH-KOTDBNOLSA-N 1 3 343.515 2.822 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001379154826 1345630229 /nfs/dbraw/zinc/63/02/29/1345630229.db2.gz NJXOSTFEYWXTGX-AEFFLSMTSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1ccc(Cl)s1 ZINC001379235417 1345674106 /nfs/dbraw/zinc/67/41/06/1345674106.db2.gz XVNMJYPVOMKESM-GFCCVEGCSA-N 1 3 331.913 2.680 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001379317857 1345721313 /nfs/dbraw/zinc/72/13/13/1345721313.db2.gz CTVYRPOUJXUNGU-OALUTQOASA-N 1 3 331.504 2.842 20 0 EFADHO COc1cccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)c1C ZINC001379413641 1345770304 /nfs/dbraw/zinc/77/03/04/1345770304.db2.gz AYUQKLLHDNDBMZ-OAHLLOKOSA-N 1 3 349.519 2.576 20 0 EFADHO C[C@H](CNCc1cc(Cl)cc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001379414283 1345771286 /nfs/dbraw/zinc/77/12/86/1345771286.db2.gz IZUGXDSJPUJLFJ-GFCCVEGCSA-N 1 3 346.302 2.930 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001379423225 1345778093 /nfs/dbraw/zinc/77/80/93/1345778093.db2.gz YONVLIVEENUQOW-BXUZGUMPSA-N 1 3 331.913 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1cc2ccccc2o1)[NH+](C)C ZINC001379448655 1345790151 /nfs/dbraw/zinc/79/01/51/1345790151.db2.gz JGPMHNISHWBMJR-RDTXWAMCSA-N 1 3 331.460 2.613 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)[C@@H]1C ZINC001379566729 1345871172 /nfs/dbraw/zinc/87/11/72/1345871172.db2.gz JNKYCFHEDNECMO-GOEBONIOSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccccc1CC[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379677055 1347252318 /nfs/dbraw/zinc/25/23/18/1347252318.db2.gz HQGBAUSKEDVDFL-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccccc1CC[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001379677055 1347252321 /nfs/dbraw/zinc/25/23/21/1347252321.db2.gz HQGBAUSKEDVDFL-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001379679252 1347253751 /nfs/dbraw/zinc/25/37/51/1347253751.db2.gz NIOILFFRFRKLMY-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001379679252 1347253755 /nfs/dbraw/zinc/25/37/55/1347253755.db2.gz NIOILFFRFRKLMY-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379679193 1347254106 /nfs/dbraw/zinc/25/41/06/1347254106.db2.gz MZWQJTQSURYLKE-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379679193 1347254107 /nfs/dbraw/zinc/25/41/07/1347254107.db2.gz MZWQJTQSURYLKE-QGZVFWFLSA-N 1 3 345.531 2.712 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379683679 1347256887 /nfs/dbraw/zinc/25/68/87/1347256887.db2.gz TWYLOAZMMDBQEL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379683679 1347256892 /nfs/dbraw/zinc/25/68/92/1347256892.db2.gz TWYLOAZMMDBQEL-MRXNPFEDSA-N 1 3 331.504 2.670 20 0 EFADHO CN(CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2F)C1)C1CCC1 ZINC001379685358 1347257854 /nfs/dbraw/zinc/25/78/54/1347257854.db2.gz QSBXZTMYVSIXRA-DOTOQJQBSA-N 1 3 347.478 2.685 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 ZINC001379689986 1347260766 /nfs/dbraw/zinc/26/07/66/1347260766.db2.gz XHSTXCKILVLQLJ-RTBURBONSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@H](CN(C)[C@H]1CCc2c1cccc2F)NC(=O)CCC[NH+](C)C ZINC001379721392 1347285347 /nfs/dbraw/zinc/28/53/47/1347285347.db2.gz FRJZASBDPLLNKH-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)CC(C)(C)C ZINC001380079381 1347505556 /nfs/dbraw/zinc/50/55/56/1347505556.db2.gz MNDFUOXOSARQKN-MRXNPFEDSA-N 1 3 325.541 2.885 20 0 EFADHO CC(C)(C)[C@H](CNCc1ccccn1)NC(=O)CC[NH+]1CCCCC1 ZINC001380097288 1347514017 /nfs/dbraw/zinc/51/40/17/1347514017.db2.gz XHSDJDSBLHBROW-SFHVURJKSA-N 1 3 346.519 2.578 20 0 EFADHO CC(C)(C)[C@@H](CNCc1ccccn1)NC(=O)CC[NH+]1CCCCC1 ZINC001380097281 1347514135 /nfs/dbraw/zinc/51/41/35/1347514135.db2.gz XHSDJDSBLHBROW-GOSISDBHSA-N 1 3 346.519 2.578 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C[C@H]1C ZINC001380268969 1347562737 /nfs/dbraw/zinc/56/27/37/1347562737.db2.gz OAAOPSHHCJXPTQ-APWZRJJASA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001380419412 1347658867 /nfs/dbraw/zinc/65/88/67/1347658867.db2.gz GTYLIIIFUZPHSH-UYAOXDASSA-N 1 3 340.471 2.932 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001394002172 1357373622 /nfs/dbraw/zinc/37/36/22/1357373622.db2.gz ZFSLMIMMKDLJIN-ACBHZAAOSA-N 1 3 331.504 2.886 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001380659186 1347795225 /nfs/dbraw/zinc/79/52/25/1347795225.db2.gz FJCPNFHAXGHFNR-CVEARBPZSA-N 1 3 349.544 2.602 20 0 EFADHO CC1CC(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2(N(C)C)CCC2)C3)C1 ZINC001380687760 1347814488 /nfs/dbraw/zinc/81/44/88/1347814488.db2.gz HWEKRJJYLPXXQC-SABGJMROSA-N 1 3 347.547 2.876 20 0 EFADHO CC1CC(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)C2(N(C)C)CCC2)C3)C1 ZINC001380687760 1347814489 /nfs/dbraw/zinc/81/44/89/1347814489.db2.gz HWEKRJJYLPXXQC-SABGJMROSA-N 1 3 347.547 2.876 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]2C1)CC(C)(C)C ZINC001380707598 1347827543 /nfs/dbraw/zinc/82/75/43/1347827543.db2.gz XMBYOVCRSCSOCG-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1)CC(C)(C)C ZINC001380707598 1347827549 /nfs/dbraw/zinc/82/75/49/1347827549.db2.gz XMBYOVCRSCSOCG-KDURUIRLSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)CC1 ZINC001380938280 1347970471 /nfs/dbraw/zinc/97/04/71/1347970471.db2.gz ITXUBOBNILJLJA-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)CC1 ZINC001380938280 1347970473 /nfs/dbraw/zinc/97/04/73/1347970473.db2.gz ITXUBOBNILJLJA-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001380968874 1347993000 /nfs/dbraw/zinc/99/30/00/1347993000.db2.gz GGRQJQXEODTZNW-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001380968874 1347993003 /nfs/dbraw/zinc/99/30/03/1347993003.db2.gz GGRQJQXEODTZNW-LJQANCHMSA-N 1 3 333.520 2.862 20 0 EFADHO CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991106 1348010110 /nfs/dbraw/zinc/01/01/10/1348010110.db2.gz UPCBEAFMSVCPEG-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001380991106 1348010112 /nfs/dbraw/zinc/01/01/12/1348010112.db2.gz UPCBEAFMSVCPEG-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CCN1CCc1ccccc1F ZINC001381165297 1348115179 /nfs/dbraw/zinc/11/51/79/1348115179.db2.gz BFUFFUFQYQIERD-AEFFLSMTSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@@H+]1CCc1cccs1 ZINC001381171295 1348119650 /nfs/dbraw/zinc/11/96/50/1348119650.db2.gz OZDXFAQNZYIUDT-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN(C)C2CCC2)CC[N@H+]1CCc1cccs1 ZINC001381171295 1348119652 /nfs/dbraw/zinc/11/96/52/1348119652.db2.gz OZDXFAQNZYIUDT-HZPDHXFCSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC001381197068 1348134371 /nfs/dbraw/zinc/13/43/71/1348134371.db2.gz KVKVPWZJTHBZRM-MPGHIAIKSA-N 1 3 337.483 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1csc(C)c1 ZINC001381289532 1348190218 /nfs/dbraw/zinc/19/02/18/1348190218.db2.gz ILDDZQHZPWTJLI-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CN(C)Cc1csc(C)c1 ZINC001381289532 1348190222 /nfs/dbraw/zinc/19/02/22/1348190222.db2.gz ILDDZQHZPWTJLI-QGZVFWFLSA-N 1 3 337.533 2.821 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCc1ccccc1)N(C)C ZINC001381296621 1348196031 /nfs/dbraw/zinc/19/60/31/1348196031.db2.gz NWVBPCNAKMTXPC-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1ccccc1)N(C)C ZINC001381296621 1348196033 /nfs/dbraw/zinc/19/60/33/1348196033.db2.gz NWVBPCNAKMTXPC-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001381571267 1348368494 /nfs/dbraw/zinc/36/84/94/1348368494.db2.gz ILJPITAZYXKRRF-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]Cc1cccc(F)c1 ZINC001381728244 1348482322 /nfs/dbraw/zinc/48/23/22/1348482322.db2.gz VTQBJSXTCZPYHU-GOSISDBHSA-N 1 3 346.450 2.754 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001381936441 1348615258 /nfs/dbraw/zinc/61/52/58/1348615258.db2.gz YSYPKJYQFLPVQM-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001381936441 1348615263 /nfs/dbraw/zinc/61/52/63/1348615263.db2.gz YSYPKJYQFLPVQM-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)C/C=C\c2ccccc2)CC1 ZINC001381977401 1348634427 /nfs/dbraw/zinc/63/44/27/1348634427.db2.gz YMDZYRNIUQGWEH-ATYVUACHSA-N 1 3 341.499 2.717 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)C/C=C\c2ccccc2)CC1 ZINC001381977401 1348634428 /nfs/dbraw/zinc/63/44/28/1348634428.db2.gz YMDZYRNIUQGWEH-ATYVUACHSA-N 1 3 341.499 2.717 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc2ncccc2c1)N(C)C ZINC001382154017 1348774964 /nfs/dbraw/zinc/77/49/64/1348774964.db2.gz DAKXPDVWZYDBJJ-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(Cl)s2)C[C@@H]1C ZINC001382320263 1348869084 /nfs/dbraw/zinc/86/90/84/1348869084.db2.gz XDKPMUHOYLYGEK-QWHCGFSZSA-N 1 3 343.924 2.822 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001394129908 1357508634 /nfs/dbraw/zinc/50/86/34/1357508634.db2.gz OMDKMLPQELDPHL-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001394129908 1357508638 /nfs/dbraw/zinc/50/86/38/1357508638.db2.gz OMDKMLPQELDPHL-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CC([C@H](C)NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001394230642 1357620598 /nfs/dbraw/zinc/62/05/98/1357620598.db2.gz SMMUGIIUNVKIST-KRWDZBQOSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC001394251878 1357638973 /nfs/dbraw/zinc/63/89/73/1357638973.db2.gz OMZJBQONRZHYCN-CVEARBPZSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CN([C@@H](C)c2ccccc2)C1 ZINC001394251882 1357639014 /nfs/dbraw/zinc/63/90/14/1357639014.db2.gz OMZJBQONRZHYCN-HOTGVXAUSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCCc2ccccc2)C1)N(C)C ZINC001394253186 1357641150 /nfs/dbraw/zinc/64/11/50/1357641150.db2.gz QGOUYNKQCVSVEH-YLJYHZDGSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCCCC2)C1)N(C)C ZINC001394267190 1357652080 /nfs/dbraw/zinc/65/20/80/1357652080.db2.gz POGOIUDMQYJROR-VQIMIIECSA-N 1 3 337.552 2.980 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1)C1CCC1 ZINC001388681586 1352916490 /nfs/dbraw/zinc/91/64/90/1352916490.db2.gz NVGKSXKNNATIBT-WOVMCDHWSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c(C)s1 ZINC001388684316 1352918520 /nfs/dbraw/zinc/91/85/20/1352918520.db2.gz YWHRFNGPCXVGNC-WOVMCDHWSA-N 1 3 349.544 2.834 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001388689659 1352922512 /nfs/dbraw/zinc/92/25/12/1352922512.db2.gz VKAZAYGBDQAQSY-SCRDCRAPSA-N 1 3 343.924 2.726 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001388688584 1352922065 /nfs/dbraw/zinc/92/20/65/1352922065.db2.gz WQJCHZOARHFQKX-HSALFYBXSA-N 1 3 345.531 2.874 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001388698577 1352930260 /nfs/dbraw/zinc/93/02/60/1352930260.db2.gz NENQBZKFXYBYJX-IPELMVKDSA-N 1 3 349.494 2.705 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001388699180 1352930635 /nfs/dbraw/zinc/93/06/35/1352930635.db2.gz QLTZLNZWFMKERG-BETUJISGSA-N 1 3 343.924 2.728 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001388718663 1352947054 /nfs/dbraw/zinc/94/70/54/1352947054.db2.gz FKDFUSRITGNQRB-OSEILGGNSA-N 1 3 343.515 2.770 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001388721466 1352949126 /nfs/dbraw/zinc/94/91/26/1352949126.db2.gz PRTFCWJMBJEVBM-UFYCRDLUSA-N 1 3 345.531 2.608 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC001388732736 1352959902 /nfs/dbraw/zinc/95/99/02/1352959902.db2.gz FOFRNOQCEKVBDT-KODHJQJWSA-N 1 3 347.478 2.638 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001388734280 1352961756 /nfs/dbraw/zinc/96/17/56/1352961756.db2.gz CBXGIKAZCZNAQR-UAPYVXQJSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001388737690 1352964994 /nfs/dbraw/zinc/96/49/94/1352964994.db2.gz VZVLFVCMHDUCKJ-BHIYHBOVSA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001388746452 1352973210 /nfs/dbraw/zinc/97/32/10/1352973210.db2.gz ISIAUDHYCLSGDD-ZCNNSNEGSA-N 1 3 345.531 2.813 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001388746452 1352973211 /nfs/dbraw/zinc/97/32/11/1352973211.db2.gz ISIAUDHYCLSGDD-ZCNNSNEGSA-N 1 3 345.531 2.813 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001388763095 1352987708 /nfs/dbraw/zinc/98/77/08/1352987708.db2.gz SZTNHZJDINTGRF-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001389402789 1353369909 /nfs/dbraw/zinc/36/99/09/1353369909.db2.gz RSGYKULRCWWCRV-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(Cc2cc(C)sc2C)C1 ZINC001389402789 1353369913 /nfs/dbraw/zinc/36/99/13/1353369913.db2.gz RSGYKULRCWWCRV-QGZVFWFLSA-N 1 3 337.533 2.787 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)C1(N(C)C)CCC1)C1CC1 ZINC001389600783 1353501378 /nfs/dbraw/zinc/50/13/78/1353501378.db2.gz CZTCHNLMTVKENM-SFHVURJKSA-N 1 3 347.478 2.603 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H](NCc2ccccc2Cl)C2CC2)CC1 ZINC001389665435 1353540022 /nfs/dbraw/zinc/54/00/22/1353540022.db2.gz UHVDEIXYENGJRU-KRWDZBQOSA-N 1 3 349.906 2.666 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(F)(F)C2)C1 ZINC001389752594 1353600766 /nfs/dbraw/zinc/60/07/66/1353600766.db2.gz BZCHTRZVDKWYSJ-HNNXBMFYSA-N 1 3 345.478 2.544 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(F)(F)C2)C1 ZINC001389752594 1353600768 /nfs/dbraw/zinc/60/07/68/1353600768.db2.gz BZCHTRZVDKWYSJ-HNNXBMFYSA-N 1 3 345.478 2.544 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCCN(Cc2ccccc2F)C1)[NH+](C)C ZINC001390061842 1353776224 /nfs/dbraw/zinc/77/62/24/1353776224.db2.gz IWWKCFTVAHLRHH-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001390165590 1353883143 /nfs/dbraw/zinc/88/31/43/1353883143.db2.gz WZHAMSZIDULGRR-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ccccc1F ZINC001390165590 1353883151 /nfs/dbraw/zinc/88/31/51/1353883151.db2.gz WZHAMSZIDULGRR-QGZVFWFLSA-N 1 3 335.467 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1)N(C)C ZINC001390264374 1353962688 /nfs/dbraw/zinc/96/26/88/1353962688.db2.gz IKFVIOPTGKIOTR-CTWPCTMYSA-N 1 3 349.494 2.929 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001390392952 1354059430 /nfs/dbraw/zinc/05/94/30/1354059430.db2.gz FNVHIFVMKSRFAP-RDJZCZTQSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCc1ccc(Cl)s1 ZINC001390535874 1354157032 /nfs/dbraw/zinc/15/70/32/1354157032.db2.gz PYBIIFPYYASCCW-CYBMUJFWSA-N 1 3 343.924 2.872 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001390606816 1354201372 /nfs/dbraw/zinc/20/13/72/1354201372.db2.gz TUPLHUVIJWFJEA-GWQWUEFDSA-N 1 3 348.318 2.620 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(CF)cc1 ZINC001390664799 1354258415 /nfs/dbraw/zinc/25/84/15/1354258415.db2.gz NUHJMMONORTACP-HNNXBMFYSA-N 1 3 335.467 2.625 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c(C)c1 ZINC001390665254 1354258957 /nfs/dbraw/zinc/25/89/57/1354258957.db2.gz OZMGFASJTUWBOZ-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)Cc2nc[nH]c2C)c1 ZINC001390716243 1354308166 /nfs/dbraw/zinc/30/81/66/1354308166.db2.gz FDUASENGSMFUTG-AWEZNQCLSA-N 1 3 328.460 2.508 20 0 EFADHO CC(C)[C@H](C(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001390807235 1354393420 /nfs/dbraw/zinc/39/34/20/1354393420.db2.gz AZIKBYPFQQQRHU-RBUKOAKNSA-N 1 3 349.494 2.837 20 0 EFADHO Cc1cc(C)c(CN(C)CCNC(=O)C2(C[NH+](C)C)CC2)c(C)c1 ZINC001390815052 1354401546 /nfs/dbraw/zinc/40/15/46/1354401546.db2.gz YXCTXGFUOAAFLQ-UHFFFAOYSA-N 1 3 331.504 2.502 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001390816121 1354402427 /nfs/dbraw/zinc/40/24/27/1354402427.db2.gz GUAWHBADGKIDJR-OXQOHEQNSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001390816121 1354402431 /nfs/dbraw/zinc/40/24/31/1354402431.db2.gz GUAWHBADGKIDJR-OXQOHEQNSA-N 1 3 345.531 2.871 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001390849580 1354433267 /nfs/dbraw/zinc/43/32/67/1354433267.db2.gz HFKJDULPPJVOPT-LJQANCHMSA-N 1 3 349.494 2.983 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN(C)[C@@H]1CCCc2ccc(F)cc21 ZINC001390849580 1354433268 /nfs/dbraw/zinc/43/32/68/1354433268.db2.gz HFKJDULPPJVOPT-LJQANCHMSA-N 1 3 349.494 2.983 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001390850861 1354434236 /nfs/dbraw/zinc/43/42/36/1354434236.db2.gz SKIVCHFBSIJLSI-AWEZNQCLSA-N 1 3 325.884 2.791 20 0 EFADHO CN(CCNC(=O)CCC[NH+]1CCCC1)[C@H]1CCc2ccc(F)cc21 ZINC001390857507 1354440077 /nfs/dbraw/zinc/44/00/77/1354440077.db2.gz LOZLVZCBDUJJKI-IBGZPJMESA-N 1 3 347.478 2.737 20 0 EFADHO CN(CCNC(=O)CCC[NH+]1CCCC1)[C@@H]1CCc2ccc(F)cc21 ZINC001390857509 1354440683 /nfs/dbraw/zinc/44/06/83/1354440683.db2.gz LOZLVZCBDUJJKI-LJQANCHMSA-N 1 3 347.478 2.737 20 0 EFADHO CCc1ccccc1C[N@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390960935 1354589714 /nfs/dbraw/zinc/58/97/14/1354589714.db2.gz PYMGNBWKGCUZPE-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CCc1ccccc1C[N@@H+](CC)CCNC(=O)CN1CC[C@H](C)C1 ZINC001390960935 1354589717 /nfs/dbraw/zinc/58/97/17/1354589717.db2.gz PYMGNBWKGCUZPE-KRWDZBQOSA-N 1 3 331.504 2.529 20 0 EFADHO CC[N@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001391011798 1354683851 /nfs/dbraw/zinc/68/38/51/1354683851.db2.gz YFXATPSGNZSXDH-WBVHZDCISA-N 1 3 334.508 2.915 20 0 EFADHO CC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001391011798 1354683859 /nfs/dbraw/zinc/68/38/59/1354683859.db2.gz YFXATPSGNZSXDH-WBVHZDCISA-N 1 3 334.508 2.915 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093829 1354785789 /nfs/dbraw/zinc/78/57/89/1354785789.db2.gz HYYANLHMTBIQMN-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391093829 1354785793 /nfs/dbraw/zinc/78/57/93/1354785793.db2.gz HYYANLHMTBIQMN-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094743 1354786355 /nfs/dbraw/zinc/78/63/55/1354786355.db2.gz JBSPGHPRSAJQQO-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391094743 1354786358 /nfs/dbraw/zinc/78/63/58/1354786358.db2.gz JBSPGHPRSAJQQO-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001391102744 1354797462 /nfs/dbraw/zinc/79/74/62/1354797462.db2.gz PVAYITRBCJASJG-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2c(C)cccc2C)C1)N(C)C ZINC001391102744 1354797466 /nfs/dbraw/zinc/79/74/66/1354797466.db2.gz PVAYITRBCJASJG-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1)N(C)C ZINC001391109749 1354807306 /nfs/dbraw/zinc/80/73/06/1354807306.db2.gz KEQWBSACUBPOIF-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1)N(C)C ZINC001391109749 1354807311 /nfs/dbraw/zinc/80/73/11/1354807311.db2.gz KEQWBSACUBPOIF-QAPCUYQASA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1)N(C)C ZINC001391110346 1354808607 /nfs/dbraw/zinc/80/86/07/1354808607.db2.gz LKCLCRYTLVLEMA-RDJZCZTQSA-N 1 3 337.533 2.643 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1)N(C)C ZINC001391110346 1354808608 /nfs/dbraw/zinc/80/86/08/1354808608.db2.gz LKCLCRYTLVLEMA-RDJZCZTQSA-N 1 3 337.533 2.643 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)C1 ZINC001391181581 1354910456 /nfs/dbraw/zinc/91/04/56/1354910456.db2.gz DAKQFCNVJFEEQC-MRXNPFEDSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(Cc2ccc(CF)cc2)C2CC2)C1 ZINC001391181581 1354910460 /nfs/dbraw/zinc/91/04/60/1354910460.db2.gz DAKQFCNVJFEEQC-MRXNPFEDSA-N 1 3 347.478 2.579 20 0 EFADHO C[C@@H]([NH2+]CCC1CC1)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001391238594 1354961521 /nfs/dbraw/zinc/96/15/21/1354961521.db2.gz PUIJZBBPXDKLLD-MRXNPFEDSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@H+](CCc2cccs2)C1)C1CCC1 ZINC001391316322 1355063212 /nfs/dbraw/zinc/06/32/12/1355063212.db2.gz ZTLUONHCVVREEG-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CN(CC(=O)NCC[C@H]1CC[N@@H+](CCc2cccs2)C1)C1CCC1 ZINC001391316322 1355063216 /nfs/dbraw/zinc/06/32/16/1355063216.db2.gz ZTLUONHCVVREEG-INIZCTEOSA-N 1 3 349.544 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001391351073 1355111837 /nfs/dbraw/zinc/11/18/37/1355111837.db2.gz FHBLLGAZIAWLGL-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC001391351073 1355111842 /nfs/dbraw/zinc/11/18/42/1355111842.db2.gz FHBLLGAZIAWLGL-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001391358052 1355120556 /nfs/dbraw/zinc/12/05/56/1355120556.db2.gz ONJLOIXYPCFACJ-SFHVURJKSA-N 1 3 331.504 2.942 20 0 EFADHO CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001391358052 1355120562 /nfs/dbraw/zinc/12/05/62/1355120562.db2.gz ONJLOIXYPCFACJ-SFHVURJKSA-N 1 3 331.504 2.942 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@@H]2C[C@H]1CN2CC/C=C/c1ccccc1 ZINC001391537183 1355286503 /nfs/dbraw/zinc/28/65/03/1355286503.db2.gz MZWMKUQUSLAONH-MELMLQDISA-N 1 3 341.499 2.717 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001399487293 1361269739 /nfs/dbraw/zinc/26/97/39/1361269739.db2.gz WZCUSYZSYMTSAA-OALUTQOASA-N 1 3 349.494 2.792 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001399487293 1361269745 /nfs/dbraw/zinc/26/97/45/1361269745.db2.gz WZCUSYZSYMTSAA-OALUTQOASA-N 1 3 349.494 2.792 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C2)c1 ZINC001391630928 1355376383 /nfs/dbraw/zinc/37/63/83/1355376383.db2.gz ICVORKPQORLMPH-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1cccc(CN2CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C2)c1 ZINC001391630928 1355376388 /nfs/dbraw/zinc/37/63/88/1355376388.db2.gz ICVORKPQORLMPH-LJQANCHMSA-N 1 3 331.504 2.624 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccccc1 ZINC001391690261 1355437566 /nfs/dbraw/zinc/43/75/66/1355437566.db2.gz HPEKWIKVBVBDRK-GOSISDBHSA-N 1 3 331.504 2.936 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001391696380 1355442669 /nfs/dbraw/zinc/44/26/69/1355442669.db2.gz PNDFFCTUEUJNIF-VQIMIIECSA-N 1 3 347.478 2.782 20 0 EFADHO CN(CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1)CC(C)(C)C ZINC001391826721 1355569781 /nfs/dbraw/zinc/56/97/81/1355569781.db2.gz NRZCLLDXCWYJGI-XMCIUCFESA-N 1 3 329.916 2.734 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C/Cl)CC2)CC1 ZINC001391826653 1355570173 /nfs/dbraw/zinc/57/01/73/1355570173.db2.gz MUAGVPWEKDBLGF-NSCCEZDJSA-N 1 3 348.318 2.664 20 0 EFADHO CN(CC(=O)NCCC1CC[NH+](CCC2CC2)CC1)CC(C)(C)C ZINC001391849750 1355594148 /nfs/dbraw/zinc/59/41/48/1355594148.db2.gz YXIVWPUOQYJIQZ-UHFFFAOYSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)s1 ZINC001391919041 1355648354 /nfs/dbraw/zinc/64/83/54/1355648354.db2.gz MCZCXPPKVLETIO-CYBMUJFWSA-N 1 3 337.533 2.691 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1cc2ccccc2o1 ZINC001391928804 1355656458 /nfs/dbraw/zinc/65/64/58/1355656458.db2.gz WMZUEIUELSOHKF-OAHLLOKOSA-N 1 3 343.471 2.759 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC001392006591 1355710793 /nfs/dbraw/zinc/71/07/93/1355710793.db2.gz BSQJONAXEGERKT-AWEZNQCLSA-N 1 3 349.441 2.832 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CCCC1)N(C)C ZINC001392009490 1355711911 /nfs/dbraw/zinc/71/19/11/1355711911.db2.gz DJOUMSAKMBQURM-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO CC[N@H+](C)CCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001392023029 1355722227 /nfs/dbraw/zinc/72/22/27/1355722227.db2.gz OTAXTPQROLCUBZ-UHFFFAOYSA-N 1 3 336.307 2.666 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCC1(NCC=C(Cl)Cl)CCCC1 ZINC001392023029 1355722246 /nfs/dbraw/zinc/72/22/46/1355722246.db2.gz OTAXTPQROLCUBZ-UHFFFAOYSA-N 1 3 336.307 2.666 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)[C@@H]1C[NH2+]CC1CCC1 ZINC001392200224 1355856989 /nfs/dbraw/zinc/85/69/89/1355856989.db2.gz XTNUACYVLDVJKP-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392277700 1355932963 /nfs/dbraw/zinc/93/29/63/1355932963.db2.gz DRALDQAXKFCZFY-HDMKZQKVSA-N 1 3 335.467 2.617 20 0 EFADHO C[C@@H](c1cccc(F)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392277700 1355932967 /nfs/dbraw/zinc/93/29/67/1355932967.db2.gz DRALDQAXKFCZFY-HDMKZQKVSA-N 1 3 335.467 2.617 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001392278954 1355933865 /nfs/dbraw/zinc/93/38/65/1355933865.db2.gz JUNITDQLYQBHMG-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO Cc1cc(C)cc(CN(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001392278954 1355933866 /nfs/dbraw/zinc/93/38/66/1355933866.db2.gz JUNITDQLYQBHMG-IEBWSBKVSA-N 1 3 331.504 2.534 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001392279501 1355935367 /nfs/dbraw/zinc/93/53/67/1355935367.db2.gz PGPMOUWOHJYOHL-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(C)cc1 ZINC001392279501 1355935368 /nfs/dbraw/zinc/93/53/68/1355935368.db2.gz PGPMOUWOHJYOHL-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CCN2Cc2ccccc2F)C1 ZINC001392350814 1356014333 /nfs/dbraw/zinc/01/43/33/1356014333.db2.gz RUTICRPLZMBEMR-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1CCCN1C)c1ccc(F)cc1 ZINC001392439052 1356038795 /nfs/dbraw/zinc/03/87/95/1356038795.db2.gz IQRRDWQMAVYSDE-ROUUACIJSA-N 1 3 335.467 2.809 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC001392442026 1356040502 /nfs/dbraw/zinc/04/05/02/1356040502.db2.gz JQAQJKVYXGNEIJ-KSSFIOAISA-N 1 3 335.467 2.639 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+][C@H](C)c1ccccc1C ZINC001392445453 1356044210 /nfs/dbraw/zinc/04/42/10/1356044210.db2.gz QPEZFYBLBMXSON-LSDHHAIUSA-N 1 3 328.460 2.815 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C1(C[NH+](C)C)CC1 ZINC001392452957 1356047769 /nfs/dbraw/zinc/04/77/69/1356047769.db2.gz MCXOBYJWBLYENL-HNNXBMFYSA-N 1 3 335.467 2.667 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001392513191 1356088863 /nfs/dbraw/zinc/08/88/63/1356088863.db2.gz UBKQUZJEKJRJNZ-MRXNPFEDSA-N 1 3 333.520 2.821 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001392610212 1356158143 /nfs/dbraw/zinc/15/81/43/1356158143.db2.gz JYYJNYFNCOFRAR-HKUYNNGSSA-N 1 3 333.520 2.792 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001392611241 1356158750 /nfs/dbraw/zinc/15/87/50/1356158750.db2.gz XXRVLEUQXZJAPP-JKSUJKDBSA-N 1 3 331.504 2.672 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)CC[NH+]1CCCCC1 ZINC001392621386 1356168871 /nfs/dbraw/zinc/16/88/71/1356168871.db2.gz ZDBOAKJRIZDHTB-HNNXBMFYSA-N 1 3 337.895 2.810 20 0 EFADHO CN(CCN(C)[C@H]1CCc2c1cccc2F)C(=O)C1(C[NH+](C)C)CC1 ZINC001401393753 1362748434 /nfs/dbraw/zinc/74/84/34/1362748434.db2.gz YWBRBVPXRMRBRH-SFHVURJKSA-N 1 3 347.478 2.545 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001392660137 1356207394 /nfs/dbraw/zinc/20/73/94/1356207394.db2.gz DRNQQCCWBUOCIU-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001392660137 1356207395 /nfs/dbraw/zinc/20/73/95/1356207395.db2.gz DRNQQCCWBUOCIU-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001392716093 1356270418 /nfs/dbraw/zinc/27/04/18/1356270418.db2.gz FNXOKJKKNYXTGV-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001392716093 1356270423 /nfs/dbraw/zinc/27/04/23/1356270423.db2.gz FNXOKJKKNYXTGV-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO COc1cccc(CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1C ZINC001392723521 1356279823 /nfs/dbraw/zinc/27/98/23/1356279823.db2.gz NRWWJDTUNUFUIK-BEFAXECRSA-N 1 3 349.519 2.526 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)C1(N(C)C)CCC1 ZINC001401609514 1362970726 /nfs/dbraw/zinc/97/07/26/1362970726.db2.gz PVKKGCCCYDEDIB-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)CC(C)(C)C ZINC001392796875 1356333927 /nfs/dbraw/zinc/33/39/27/1356333927.db2.gz YLQABWXKZHBEAK-GOSISDBHSA-N 1 3 349.494 2.788 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)CN(C)Cc1cccc(Cl)c1)[NH+](C)C ZINC001401779245 1363118360 /nfs/dbraw/zinc/11/83/60/1363118360.db2.gz JEMVFBWTBMOUHS-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1)N(C)C ZINC001401762717 1363098884 /nfs/dbraw/zinc/09/88/84/1363098884.db2.gz YBNJHGGRCYXEJT-AEFFLSMTSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCCC1)N(C)C ZINC001401762717 1363098889 /nfs/dbraw/zinc/09/88/89/1363098889.db2.gz YBNJHGGRCYXEJT-AEFFLSMTSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1ccccc1[C@H](C)N1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001392873325 1356396961 /nfs/dbraw/zinc/39/69/61/1356396961.db2.gz ZHPMDRUESXUWFN-HKUYNNGSSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc3ccccc3c2)CC1)N(C)C ZINC001392917595 1356429709 /nfs/dbraw/zinc/42/97/09/1356429709.db2.gz MRLDWDGBCDXZOC-LJQANCHMSA-N 1 3 339.483 2.918 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@H+](CCCF)CC2CC2)CC1)N(C)C ZINC001392973644 1356480647 /nfs/dbraw/zinc/48/06/47/1356480647.db2.gz WRDHKLCHQWGSQL-SFHVURJKSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([N@@H+](CCCF)CC2CC2)CC1)N(C)C ZINC001392973644 1356480650 /nfs/dbraw/zinc/48/06/50/1356480650.db2.gz WRDHKLCHQWGSQL-SFHVURJKSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393175207 1356681076 /nfs/dbraw/zinc/68/10/76/1356681076.db2.gz WTUDLAVVKXQJSJ-MEMKZHQFSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(C)CCN(C/C=C\Cl)CC1 ZINC001393175207 1356681079 /nfs/dbraw/zinc/68/10/79/1356681079.db2.gz WTUDLAVVKXQJSJ-MEMKZHQFSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)N(C)C ZINC001402539304 1363771531 /nfs/dbraw/zinc/77/15/31/1363771531.db2.gz RYKUWQXPJZZJIX-BXWFABGCSA-N 1 3 343.471 2.756 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc3ccccc3o2)CCC1)N(C)C ZINC001393566487 1356955185 /nfs/dbraw/zinc/95/51/85/1356955185.db2.gz MTBASCOJBYYLCB-KRWDZBQOSA-N 1 3 343.471 2.902 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2F)CC1)[NH+](C)C ZINC001393593798 1356973759 /nfs/dbraw/zinc/97/37/59/1356973759.db2.gz IPWSBBBUOGXBEO-IEBWSBKVSA-N 1 3 349.494 2.883 20 0 EFADHO Cc1ncccc1CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001393615183 1357003895 /nfs/dbraw/zinc/00/38/95/1357003895.db2.gz BJXQZPJOUPVEQL-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO Cc1ncccc1CN(C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001393615183 1357003899 /nfs/dbraw/zinc/00/38/99/1357003899.db2.gz BJXQZPJOUPVEQL-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO CN(CCC[N@H+](C)Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1C ZINC001393625591 1357017100 /nfs/dbraw/zinc/01/71/00/1357017100.db2.gz ANZJDUUEZZCBIH-GOSISDBHSA-N 1 3 343.471 2.807 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cc2ccccc2o1)C(=O)[C@H]1CCCN1C ZINC001393625591 1357017107 /nfs/dbraw/zinc/01/71/07/1357017107.db2.gz ANZJDUUEZZCBIH-GOSISDBHSA-N 1 3 343.471 2.807 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1cccc(F)c1 ZINC001393638990 1357037341 /nfs/dbraw/zinc/03/73/41/1357037341.db2.gz CFZQXHHREJQBEW-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC001393638990 1357037344 /nfs/dbraw/zinc/03/73/44/1357037344.db2.gz CFZQXHHREJQBEW-IBGZPJMESA-N 1 3 349.494 2.980 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@H+](C)[C@H]1CCc2c1cccc2F ZINC001393644624 1357046379 /nfs/dbraw/zinc/04/63/79/1357046379.db2.gz UPQWZZYOZDLZJZ-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO CCCN(C)CC(=O)N(C)CCC[N@@H+](C)[C@H]1CCc2c1cccc2F ZINC001393644624 1357046383 /nfs/dbraw/zinc/04/63/83/1357046383.db2.gz UPQWZZYOZDLZJZ-IBGZPJMESA-N 1 3 349.494 2.935 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)Cc2c[nH]cn2)c1 ZINC001394450278 1357831384 /nfs/dbraw/zinc/83/13/84/1357831384.db2.gz NXCRBRINQLUPLS-IBGZPJMESA-N 1 3 340.471 2.596 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001394488402 1357869948 /nfs/dbraw/zinc/86/99/48/1357869948.db2.gz KUHBKRCDUPBDBG-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccccc2CC)C[C@@H]1C ZINC001394664208 1357983937 /nfs/dbraw/zinc/98/39/37/1357983937.db2.gz AYIDUCJEGXXCAE-QFBILLFUSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccc(CC)cc2)C[C@@H]1C ZINC001394665858 1357985034 /nfs/dbraw/zinc/98/50/34/1357985034.db2.gz DZUWEJYSSNKBTQ-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CN(C)CC(C)(C)C ZINC001394674985 1357992335 /nfs/dbraw/zinc/99/23/35/1357992335.db2.gz WHPRCMQVRIWVKD-SJLPKXTDSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cccc2C)C[C@H]1C ZINC001394675540 1357994037 /nfs/dbraw/zinc/99/40/37/1357994037.db2.gz YINGCJNSZVBMMA-QZTJIDSGSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2)[C@H]1C ZINC001394684310 1358003753 /nfs/dbraw/zinc/00/37/53/1358003753.db2.gz ZCTYIQFCRLZSCW-RWERQFNSSA-N 1 3 329.488 2.621 20 0 EFADHO COC[C@@H](C)[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001394831215 1358131263 /nfs/dbraw/zinc/13/12/63/1358131263.db2.gz WNYCUSCPYQNPOR-QAPCUYQASA-N 1 3 349.519 2.517 20 0 EFADHO COC[C@H](C)[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C(C)(C)C ZINC001394831210 1358131505 /nfs/dbraw/zinc/13/15/05/1358131505.db2.gz WNYCUSCPYQNPOR-MAUKXSAKSA-N 1 3 349.519 2.517 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001440859225 1389960828 /nfs/dbraw/zinc/96/08/28/1389960828.db2.gz WHVCIWJBFVIMKB-UHFFFAOYSA-N 1 3 337.430 2.640 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001437040345 1387384733 /nfs/dbraw/zinc/38/47/33/1387384733.db2.gz YOKTWLFQTDOULN-SFHVURJKSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001397080639 1359658810 /nfs/dbraw/zinc/65/88/10/1359658810.db2.gz QTYHSJQZCMIRNT-ILRDRHFLSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001397091710 1359669365 /nfs/dbraw/zinc/66/93/65/1359669365.db2.gz CAZMWXZAQHQPRN-IPELMVKDSA-N 1 3 349.494 2.705 20 0 EFADHO C[C@@H]1CC2(CN1C(=O)CCC[NH+](C)C)CCN(C/C=C/Cl)CC2 ZINC001397178866 1359727920 /nfs/dbraw/zinc/72/79/20/1359727920.db2.gz VACSARBWPAUNRG-DXWDOBMASA-N 1 3 341.927 2.784 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)CN(C)C3CCC3)C2)c1 ZINC001397590452 1359985776 /nfs/dbraw/zinc/98/57/76/1359985776.db2.gz DZTLSEFNDLZYAQ-IZAXUBKRSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001397605826 1359996442 /nfs/dbraw/zinc/99/64/42/1359996442.db2.gz HYEUEWWTLWKCNA-CALCHBBNSA-N 1 3 347.478 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001397610415 1360001392 /nfs/dbraw/zinc/00/13/92/1360001392.db2.gz QTYHSJQZCMIRNT-SAKMYQHLSA-N 1 3 349.494 2.957 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001397611482 1360002073 /nfs/dbraw/zinc/00/20/73/1360002073.db2.gz OYIOPAZLHWXNDM-NUJGCVRESA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001397611483 1360002107 /nfs/dbraw/zinc/00/21/07/1360002107.db2.gz OYIOPAZLHWXNDM-XYJFISCASA-N 1 3 329.488 2.716 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001397622282 1360009308 /nfs/dbraw/zinc/00/93/08/1360009308.db2.gz FEEGKSDZSCJGSH-WOVMCDHWSA-N 1 3 349.494 2.788 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1 ZINC001397636357 1360018901 /nfs/dbraw/zinc/01/89/01/1360018901.db2.gz UBBZLYGQZLSIOA-MJQMVNBJSA-N 1 3 329.488 2.574 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001397700038 1360060366 /nfs/dbraw/zinc/06/03/66/1360060366.db2.gz QSBQCESQKNDXLW-MPGHIAIKSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](CNCc2ccccc2F)C1 ZINC001397723731 1360080122 /nfs/dbraw/zinc/08/01/22/1360080122.db2.gz HOUAZPGFULNGIO-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CCC(CC)C[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001398200994 1360375232 /nfs/dbraw/zinc/37/52/32/1360375232.db2.gz MRLRUUBOWDHXIC-GOSISDBHSA-N 1 3 325.541 2.932 20 0 EFADHO C[C@@H]([NH2+]CCF)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001398204209 1360377628 /nfs/dbraw/zinc/37/76/28/1360377628.db2.gz KLMXFYUNJDVLLL-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001398339939 1360471535 /nfs/dbraw/zinc/47/15/35/1360471535.db2.gz OEQFORONNZQJLD-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001398339939 1360471537 /nfs/dbraw/zinc/47/15/37/1360471537.db2.gz OEQFORONNZQJLD-JKSUJKDBSA-N 1 3 345.478 2.589 20 0 EFADHO CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001398369860 1360491445 /nfs/dbraw/zinc/49/14/45/1360491445.db2.gz ZRIIBVXWNYMOIK-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001398476233 1360590117 /nfs/dbraw/zinc/59/01/17/1360590117.db2.gz QOJIUSFDFODODR-INIZCTEOSA-N 1 3 334.508 2.949 20 0 EFADHO C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001398476233 1360590123 /nfs/dbraw/zinc/59/01/23/1360590123.db2.gz QOJIUSFDFODODR-INIZCTEOSA-N 1 3 334.508 2.949 20 0 EFADHO CN(Cc1ccccc1F)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001398479724 1360592332 /nfs/dbraw/zinc/59/23/32/1360592332.db2.gz VESUMNLSXAWWLB-KRWDZBQOSA-N 1 3 349.494 2.838 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C1 ZINC001398561262 1360646986 /nfs/dbraw/zinc/64/69/86/1360646986.db2.gz XOGWHTFGGLKPRH-IYARVYRRSA-N 1 3 331.504 2.710 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001398589191 1360660341 /nfs/dbraw/zinc/66/03/41/1360660341.db2.gz MBSYOQRMDKDKKG-AETKHAMZSA-N 1 3 339.911 2.727 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC001398666021 1360697547 /nfs/dbraw/zinc/69/75/47/1360697547.db2.gz HECTZZYJNMTEAZ-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC001398666021 1360697551 /nfs/dbraw/zinc/69/75/51/1360697551.db2.gz HECTZZYJNMTEAZ-KRWDZBQOSA-N 1 3 349.494 2.804 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001398742213 1360756217 /nfs/dbraw/zinc/75/62/17/1360756217.db2.gz NLMMOAGQCBEZGD-SJORKVTESA-N 1 3 325.541 2.839 20 0 EFADHO CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001398742208 1360756596 /nfs/dbraw/zinc/75/65/96/1360756596.db2.gz NLMMOAGQCBEZGD-IRXDYDNUSA-N 1 3 325.541 2.839 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786886 1360790621 /nfs/dbraw/zinc/79/06/21/1360790621.db2.gz CZNXZXLJTKAODB-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC001398786886 1360790628 /nfs/dbraw/zinc/79/06/28/1360790628.db2.gz CZNXZXLJTKAODB-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001398940946 1360883820 /nfs/dbraw/zinc/88/38/20/1360883820.db2.gz RRUUPEVYZMMODX-HNNXBMFYSA-N 1 3 335.467 2.685 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001398951761 1360890879 /nfs/dbraw/zinc/89/08/79/1360890879.db2.gz PGESUYWTNQXRIP-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001398951747 1360890932 /nfs/dbraw/zinc/89/09/32/1360890932.db2.gz PGESUYWTNQXRIP-KGLIPLIRSA-N 1 3 337.895 2.980 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001399013501 1360932414 /nfs/dbraw/zinc/93/24/14/1360932414.db2.gz DPPISQWJVIJMCZ-HNNXBMFYSA-N 1 3 337.483 2.706 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC001437244978 1387495108 /nfs/dbraw/zinc/49/51/08/1387495108.db2.gz IWVNMCABKGDTTF-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001399265373 1361108596 /nfs/dbraw/zinc/10/85/96/1361108596.db2.gz QJOGKZVHVKOJEM-JKSUJKDBSA-N 1 3 349.544 2.792 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001399275036 1361116271 /nfs/dbraw/zinc/11/62/71/1361116271.db2.gz ABHSNRRPTYENGR-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001399275036 1361116274 /nfs/dbraw/zinc/11/62/74/1361116274.db2.gz ABHSNRRPTYENGR-ZWKOTPCHSA-N 1 3 325.541 2.933 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)N(C)C)cs1 ZINC001399349425 1361165430 /nfs/dbraw/zinc/16/54/30/1361165430.db2.gz FPTVIJSXSAHCJO-BBRMVZONSA-N 1 3 325.522 2.627 20 0 EFADHO C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)NCc1nccs1 ZINC001399385826 1361186952 /nfs/dbraw/zinc/18/69/52/1361186952.db2.gz AXOZSBCDNAYFRU-AWEZNQCLSA-N 1 3 346.500 2.503 20 0 EFADHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001399422211 1361212678 /nfs/dbraw/zinc/21/26/78/1361212678.db2.gz WRVCXPQSCWASIJ-KDOFPFPSSA-N 1 3 335.467 2.639 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001399488484 1361271215 /nfs/dbraw/zinc/27/12/15/1361271215.db2.gz OIXWWIFSAYRKFX-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001399488484 1361271220 /nfs/dbraw/zinc/27/12/20/1361271220.db2.gz OIXWWIFSAYRKFX-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001399488504 1361271364 /nfs/dbraw/zinc/27/13/64/1361271364.db2.gz OIXWWIFSAYRKFX-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1cccc(CC)c1 ZINC001399488504 1361271370 /nfs/dbraw/zinc/27/13/70/1361271370.db2.gz OIXWWIFSAYRKFX-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1cccc(CN(C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001399501925 1361283856 /nfs/dbraw/zinc/28/38/56/1361283856.db2.gz ZZNPLRWUHBZAGP-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001399575479 1361344314 /nfs/dbraw/zinc/34/43/14/1361344314.db2.gz LVCBLKIRERFNJU-BEFAXECRSA-N 1 3 331.504 2.625 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](C)[C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001399575479 1361344320 /nfs/dbraw/zinc/34/43/20/1361344320.db2.gz LVCBLKIRERFNJU-BEFAXECRSA-N 1 3 331.504 2.625 20 0 EFADHO CC[N@@H+](C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCN1C ZINC001399684500 1361427044 /nfs/dbraw/zinc/42/70/44/1361427044.db2.gz BOHXCRBAKLZKJY-SUZKBHRPSA-N 1 3 349.906 2.886 20 0 EFADHO CC[N@H+](C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCN1C ZINC001399684500 1361427046 /nfs/dbraw/zinc/42/70/46/1361427046.db2.gz BOHXCRBAKLZKJY-SUZKBHRPSA-N 1 3 349.906 2.886 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cc(C)cc(C)c1 ZINC001399711108 1361445543 /nfs/dbraw/zinc/44/55/43/1361445543.db2.gz ULLVKUCHNBYLPF-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cc(C)cc(C)c1 ZINC001399711108 1361445545 /nfs/dbraw/zinc/44/55/45/1361445545.db2.gz ULLVKUCHNBYLPF-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CCc1ccccc1CN(CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001399712592 1361446895 /nfs/dbraw/zinc/44/68/95/1361446895.db2.gz NGWHJMFRIROLEU-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccccc1CN(CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001399712592 1361446897 /nfs/dbraw/zinc/44/68/97/1361446897.db2.gz NGWHJMFRIROLEU-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399901544 1361563288 /nfs/dbraw/zinc/56/32/88/1361563288.db2.gz KWOCMOASUUEOFA-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399901544 1361563289 /nfs/dbraw/zinc/56/32/89/1361563289.db2.gz KWOCMOASUUEOFA-OALUTQOASA-N 1 3 331.504 2.662 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001399954881 1361607866 /nfs/dbraw/zinc/60/78/66/1361607866.db2.gz RMCLNZUTKOKHSP-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001399954881 1361607870 /nfs/dbraw/zinc/60/78/70/1361607870.db2.gz RMCLNZUTKOKHSP-QZTJIDSGSA-N 1 3 331.504 2.836 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001399954400 1361608431 /nfs/dbraw/zinc/60/84/31/1361608431.db2.gz XGQYYRCFUOVZHF-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001399954400 1361608434 /nfs/dbraw/zinc/60/84/34/1361608434.db2.gz XGQYYRCFUOVZHF-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400026302 1361676926 /nfs/dbraw/zinc/67/69/26/1361676926.db2.gz BBVQAFYNSUOTNT-AEFFLSMTSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001400026302 1361676929 /nfs/dbraw/zinc/67/69/29/1361676929.db2.gz BBVQAFYNSUOTNT-AEFFLSMTSA-N 1 3 343.515 2.978 20 0 EFADHO CCc1ccccc1C[N@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400029238 1361680422 /nfs/dbraw/zinc/68/04/22/1361680422.db2.gz QYJOBLLOUQHEPT-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001400029238 1361680426 /nfs/dbraw/zinc/68/04/26/1361680426.db2.gz QYJOBLLOUQHEPT-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1)N(C)C ZINC001400037537 1361688571 /nfs/dbraw/zinc/68/85/71/1361688571.db2.gz IEEKFYFELSSSBO-APWZRJJASA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+]([C@H](C)c1ccccc1)C1CC1)N(C)C ZINC001400037537 1361688572 /nfs/dbraw/zinc/68/85/72/1361688572.db2.gz IEEKFYFELSSSBO-APWZRJJASA-N 1 3 331.504 2.914 20 0 EFADHO CN(CCNC1c2ccccc2-c2ccccc21)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001400076380 1361716551 /nfs/dbraw/zinc/71/65/51/1361716551.db2.gz APKQJQRGIMCYMY-MRXNPFEDSA-N 1 3 349.478 2.756 20 0 EFADHO CN(CCNC1c2ccccc2-c2ccccc21)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001400076380 1361716554 /nfs/dbraw/zinc/71/65/54/1361716554.db2.gz APKQJQRGIMCYMY-MRXNPFEDSA-N 1 3 349.478 2.756 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1C ZINC001400088491 1361727049 /nfs/dbraw/zinc/72/70/49/1361727049.db2.gz QKEDOUPKZPWMFS-IEBWSBKVSA-N 1 3 331.504 2.978 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](Cc3ccccc3F)C2)CCC1 ZINC001400160707 1361799053 /nfs/dbraw/zinc/79/90/53/1361799053.db2.gz YCGGQCDXJSAVKH-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3F)C2)CCC1 ZINC001400160707 1361799056 /nfs/dbraw/zinc/79/90/56/1361799056.db2.gz YCGGQCDXJSAVKH-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001400186746 1361828806 /nfs/dbraw/zinc/82/88/06/1361828806.db2.gz UCPPCTAXDOWPSX-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001400186746 1361828810 /nfs/dbraw/zinc/82/88/10/1361828810.db2.gz UCPPCTAXDOWPSX-PKOBYXMFSA-N 1 3 349.494 2.740 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001400295330 1361914269 /nfs/dbraw/zinc/91/42/69/1361914269.db2.gz GOEBNPWEIYSQHV-IBGZPJMESA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)c1ccccc1C[NH+]1CC(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001400506566 1362002678 /nfs/dbraw/zinc/00/26/78/1362002678.db2.gz LCDLKRBLGNRUSN-UHFFFAOYSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001400532177 1362014841 /nfs/dbraw/zinc/01/48/41/1362014841.db2.gz RUSCUVCDLPPBQE-MRXNPFEDSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400701188 1362105429 /nfs/dbraw/zinc/10/54/29/1362105429.db2.gz AHDDUTLPLQFTLN-WMZOPIPTSA-N 1 3 329.488 2.622 20 0 EFADHO CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001400736097 1362128975 /nfs/dbraw/zinc/12/89/75/1362128975.db2.gz GKXSMPQXFROWBQ-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001400737413 1362129779 /nfs/dbraw/zinc/12/97/79/1362129779.db2.gz FPGKYDVVBRWRED-RTBURBONSA-N 1 3 331.504 2.614 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001400812603 1362178957 /nfs/dbraw/zinc/17/89/57/1362178957.db2.gz KOQZBKNMOHHWOY-WMLDXEAASA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001400812587 1362178997 /nfs/dbraw/zinc/17/89/97/1362178997.db2.gz KOQZBKNMOHHWOY-RHSMWYFYSA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001437334179 1387556874 /nfs/dbraw/zinc/55/68/74/1387556874.db2.gz QWODQTDVWSHWEP-MSOLQXFVSA-N 1 3 347.503 2.554 20 0 EFADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001400857682 1362215827 /nfs/dbraw/zinc/21/58/27/1362215827.db2.gz HCDSMOVCEDJFNM-LSDHHAIUSA-N 1 3 335.467 2.713 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001437349235 1387571340 /nfs/dbraw/zinc/57/13/40/1387571340.db2.gz JIWQJAOGYSBKJL-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(C)Cc2cc(F)ccc2C)C1 ZINC001437349235 1387571345 /nfs/dbraw/zinc/57/13/45/1387571345.db2.gz JIWQJAOGYSBKJL-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(C)c2)CC1 ZINC001401052565 1362398239 /nfs/dbraw/zinc/39/82/39/1362398239.db2.gz NRKXSOCSHQXTGZ-WGSAOQKQSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]Cc2ccccn2)CCCC[C@H]1C ZINC001401054694 1362398594 /nfs/dbraw/zinc/39/85/94/1362398594.db2.gz MHDPBRSDRKMGQO-XLIONFOSSA-N 1 3 346.519 2.578 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](C/C=C\Cl)CC1 ZINC001401081682 1362425387 /nfs/dbraw/zinc/42/53/87/1362425387.db2.gz ZDURHQPKIFRZEQ-OCKNTNFFSA-N 1 3 341.927 2.832 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC1CC[NH+](C/C=C/Cl)CC1 ZINC001401081674 1362425466 /nfs/dbraw/zinc/42/54/66/1362425466.db2.gz ZDURHQPKIFRZEQ-HQWZXOHUSA-N 1 3 341.927 2.832 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401118995 1362456765 /nfs/dbraw/zinc/45/67/65/1362456765.db2.gz SFFWAIIBKGMDQM-PBHICJAKSA-N 1 3 339.911 2.768 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]Cc1ccccc1F ZINC001401132992 1362469316 /nfs/dbraw/zinc/46/93/16/1362469316.db2.gz UQBBDTVOPLTHNF-OAHLLOKOSA-N 1 3 337.483 2.646 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(Cl)c1F)N(C)C ZINC001401134099 1362470595 /nfs/dbraw/zinc/47/05/95/1362470595.db2.gz GLUTVINOTBTLLV-SWLSCSKDSA-N 1 3 343.874 2.661 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cc2ccccc2o1 ZINC001401133987 1362471417 /nfs/dbraw/zinc/47/14/17/1362471417.db2.gz VZOBBSMZWAUDQR-CVEARBPZSA-N 1 3 343.471 2.617 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001401134978 1362472343 /nfs/dbraw/zinc/47/23/43/1362472343.db2.gz JSAGAIBNCLNRLP-WCQYABFASA-N 1 3 331.913 2.584 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001401138027 1362474861 /nfs/dbraw/zinc/47/48/61/1362474861.db2.gz OURCBFYEWOVCCV-WBVHZDCISA-N 1 3 325.541 2.885 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001401143587 1362480561 /nfs/dbraw/zinc/48/05/61/1362480561.db2.gz BJGYQGPDNUTLQK-CQSZACIVSA-N 1 3 334.508 2.819 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001401148898 1362484879 /nfs/dbraw/zinc/48/48/79/1362484879.db2.gz YXRMFWPLKBRZTN-LPHOPBHVSA-N 1 3 333.520 2.732 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C[NH2+]CC1CC(C)C1 ZINC001401151793 1362488556 /nfs/dbraw/zinc/48/85/56/1362488556.db2.gz HKZAXLBWEYYSBD-UPTPFMHGSA-N 1 3 331.504 2.750 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001401191363 1362530481 /nfs/dbraw/zinc/53/04/81/1362530481.db2.gz RGHDEZFGPMKFAZ-GOEBONIOSA-N 1 3 345.478 2.637 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH]cn1)CC2 ZINC001401193952 1362533562 /nfs/dbraw/zinc/53/35/62/1362533562.db2.gz NNHZUWDXNDYMNG-MRXNPFEDSA-N 1 3 332.492 2.559 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(Cl)cc1 ZINC001401256542 1362595869 /nfs/dbraw/zinc/59/58/69/1362595869.db2.gz IGLVDIOKJCAYAQ-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCc1ccccc1Cl)[NH+](C)C ZINC001401258468 1362598466 /nfs/dbraw/zinc/59/84/66/1362598466.db2.gz LRJJEQDLCQFIGN-YOEHRIQHSA-N 1 3 339.911 2.863 20 0 EFADHO C[C@H]([NH2+]C/C=C\Cl)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001401299076 1362644929 /nfs/dbraw/zinc/64/49/29/1362644929.db2.gz RENGVUMCWJPQMC-LTSYXSSYSA-N 1 3 343.943 2.934 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001401434131 1362800895 /nfs/dbraw/zinc/80/08/95/1362800895.db2.gz TWPLUCABKFRLLL-MOPGFXCFSA-N 1 3 331.504 2.794 20 0 EFADHO CC[C@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccccc21)N(C)C ZINC001401434131 1362800901 /nfs/dbraw/zinc/80/09/01/1362800901.db2.gz TWPLUCABKFRLLL-MOPGFXCFSA-N 1 3 331.504 2.794 20 0 EFADHO CCc1ccc(CN(C)CCN(C)C(=O)C23CCC[NH+]2CCC3)cc1 ZINC001401437554 1362806335 /nfs/dbraw/zinc/80/63/35/1362806335.db2.gz NJOZKNLMYFINHM-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001401715616 1363047916 /nfs/dbraw/zinc/04/79/16/1363047916.db2.gz ADSFTZUZYJQBMY-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001401774222 1363111834 /nfs/dbraw/zinc/11/18/34/1363111834.db2.gz FBAIIXQPLGDJII-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001401774222 1363111837 /nfs/dbraw/zinc/11/18/37/1363111837.db2.gz FBAIIXQPLGDJII-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001401774218 1363112329 /nfs/dbraw/zinc/11/23/29/1363112329.db2.gz FBAIIXQPLGDJII-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](C[N@@H+](C)CC1CCCCC1)NC(=O)CN(C)CC(C)(C)C ZINC001401774218 1363112333 /nfs/dbraw/zinc/11/23/33/1363112333.db2.gz FBAIIXQPLGDJII-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](CN(C)[C@@H]1CCc2ccc(F)cc21)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401776214 1363114386 /nfs/dbraw/zinc/11/43/86/1363114386.db2.gz CRPNAQHOMJBFOH-KBXCAEBGSA-N 1 3 347.478 2.591 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001401781540 1363121581 /nfs/dbraw/zinc/12/15/81/1363121581.db2.gz RCMIMMWCTKUIJA-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C)cc1 ZINC001401781540 1363121582 /nfs/dbraw/zinc/12/15/82/1363121582.db2.gz RCMIMMWCTKUIJA-QGZVFWFLSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@H](CN(C)[C@H](C)c1cccc(F)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401787549 1363129327 /nfs/dbraw/zinc/12/93/27/1363129327.db2.gz QPWDNLJHVRQHCY-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1F)N(C)C ZINC001437403592 1387612179 /nfs/dbraw/zinc/61/21/79/1387612179.db2.gz QBRYMUFXRMYDBY-CXAGYDPISA-N 1 3 341.446 2.535 20 0 EFADHO CC1CC(C[NH2+]C[C@H](NC(=O)c2cccc(CN(C)C)c2)C2CC2)C1 ZINC001401874627 1363206382 /nfs/dbraw/zinc/20/63/82/1363206382.db2.gz QEOPWIBXDUVVKA-LAGYLCCXSA-N 1 3 343.515 2.892 20 0 EFADHO O=C(NCC1(NCc2cccc(Cl)c2)CC1)C12CCC[NH+]1CCC2 ZINC001401951772 1363270860 /nfs/dbraw/zinc/27/08/60/1363270860.db2.gz WMQOXFMHFUVJOO-UHFFFAOYSA-N 1 3 347.890 2.707 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NCC1(NC/C=C/c2ccccc2)CC1 ZINC001401983063 1363300546 /nfs/dbraw/zinc/30/05/46/1363300546.db2.gz BHSAQMSQTYNYRE-JXMROGBWSA-N 1 3 341.499 2.814 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC001401986744 1363303258 /nfs/dbraw/zinc/30/32/58/1363303258.db2.gz PHSNPTIVRVNRKE-RXYHWBRQSA-N 1 3 347.890 2.543 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC001401986744 1363303263 /nfs/dbraw/zinc/30/32/63/1363303263.db2.gz PHSNPTIVRVNRKE-RXYHWBRQSA-N 1 3 347.890 2.543 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC001401986760 1363303576 /nfs/dbraw/zinc/30/35/76/1363303576.db2.gz PHSNPTIVRVNRKE-YPQKKHBXSA-N 1 3 347.890 2.543 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NCC2(NC/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC001401986760 1363303579 /nfs/dbraw/zinc/30/35/79/1363303579.db2.gz PHSNPTIVRVNRKE-YPQKKHBXSA-N 1 3 347.890 2.543 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402038623 1363349115 /nfs/dbraw/zinc/34/91/15/1363349115.db2.gz VCCTZZFHGBDNRG-ZFWWWQNUSA-N 1 3 349.441 2.782 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2)CC1)N(C)C ZINC001402061015 1363368056 /nfs/dbraw/zinc/36/80/56/1363368056.db2.gz ADPKLKPSIYTQIS-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCc1sccc1Cl ZINC001402066063 1363372199 /nfs/dbraw/zinc/37/21/99/1363372199.db2.gz ZZTJXWHHZYBUTI-ZDUSSCGKSA-N 1 3 343.924 2.824 20 0 EFADHO Cc1cccc([C@H](C)N2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001402085717 1363389625 /nfs/dbraw/zinc/38/96/25/1363389625.db2.gz JSAHKBKYILCQBD-HKUYNNGSSA-N 1 3 331.504 2.978 20 0 EFADHO Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001402159456 1363467342 /nfs/dbraw/zinc/46/73/42/1363467342.db2.gz PIJIHUBNVZTIPR-NRFANRHFSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@](C)(C[NH2+]Cc3ccccc3)C2)CC1 ZINC001402183436 1363490448 /nfs/dbraw/zinc/49/04/48/1363490448.db2.gz QLSNBMMSSJLOCP-NRFANRHFSA-N 1 3 343.515 2.747 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC001402199866 1363507974 /nfs/dbraw/zinc/50/79/74/1363507974.db2.gz DKPWUHPZJNQTCI-OAQYLSRUSA-N 1 3 343.515 2.889 20 0 EFADHO CN(CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC001402199866 1363507977 /nfs/dbraw/zinc/50/79/77/1363507977.db2.gz DKPWUHPZJNQTCI-OAQYLSRUSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC12CC[NH+](Cc1cccc(C)c1)CC2 ZINC001402231210 1363552491 /nfs/dbraw/zinc/55/24/91/1363552491.db2.gz JANQMPUYNJCXEI-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001437424220 1387633679 /nfs/dbraw/zinc/63/36/79/1387633679.db2.gz YWFTYLABCASFPO-CABCVRRESA-N 1 3 328.460 2.815 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1cccc(Cl)c1)C1CC1)N(C)C ZINC001402328070 1363608290 /nfs/dbraw/zinc/60/82/90/1363608290.db2.gz TUVWVPOUFOUBPS-IRXDYDNUSA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC001402460952 1363708372 /nfs/dbraw/zinc/70/83/72/1363708372.db2.gz MLWZPSLYYXNKLC-YOEHRIQHSA-N 1 3 337.895 2.933 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1ccc(F)cc1 ZINC001402488534 1363733077 /nfs/dbraw/zinc/73/30/77/1363733077.db2.gz CMSFHVNCCAJJQX-KZNAEPCWSA-N 1 3 347.478 2.998 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)N(C)C)CCC2)cc1 ZINC001402543196 1363773797 /nfs/dbraw/zinc/77/37/97/1363773797.db2.gz BWDQYDGOUMOFRL-SFHVURJKSA-N 1 3 331.504 2.710 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]Cc2ccc(CF)cc2)CCC1)N(C)C ZINC001402567937 1363795694 /nfs/dbraw/zinc/79/56/94/1363795694.db2.gz BTNRBYWUZWISHA-GOSISDBHSA-N 1 3 349.494 2.871 20 0 EFADHO Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001402643969 1363876313 /nfs/dbraw/zinc/87/63/13/1363876313.db2.gz MJYQXNZRSZJJCL-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCCCN2C)c1 ZINC001402643969 1363876317 /nfs/dbraw/zinc/87/63/17/1363876317.db2.gz MJYQXNZRSZJJCL-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001402754284 1364001578 /nfs/dbraw/zinc/00/15/78/1364001578.db2.gz ACCAPAOJUMEWQN-ABHNRTSZSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccc(F)cc3)C[C@H]21)[NH+](C)C ZINC001402800875 1364049594 /nfs/dbraw/zinc/04/95/94/1364049594.db2.gz JFLSGQDMFGNAAF-UVMNYOIOSA-N 1 3 347.478 2.519 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@H](C)c3ccccc3F)C[C@H]21)[NH+](C)C ZINC001402801829 1364050356 /nfs/dbraw/zinc/05/03/56/1364050356.db2.gz VZWYABSSGWBDHT-GNQXEYABSA-N 1 3 347.478 2.519 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CCN1CCC(F)(F)F ZINC001402813113 1364059733 /nfs/dbraw/zinc/05/97/33/1364059733.db2.gz KLKFZELQYVENRD-CABCVRRESA-N 1 3 349.441 2.784 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001402839549 1364083684 /nfs/dbraw/zinc/08/36/84/1364083684.db2.gz HCGQIBUMNNLPOD-LRDDRELGSA-N 1 3 343.874 2.804 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001402999763 1364198328 /nfs/dbraw/zinc/19/83/28/1364198328.db2.gz JOTSMCGTMVFHBU-KDOFPFPSSA-N 1 3 349.494 2.885 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001437462986 1387667887 /nfs/dbraw/zinc/66/78/87/1387667887.db2.gz KZVJENJPIRVPNX-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)c1cccc(F)c1 ZINC001437462986 1387667891 /nfs/dbraw/zinc/66/78/91/1387667891.db2.gz KZVJENJPIRVPNX-YJBOKZPZSA-N 1 3 335.467 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001437472108 1387673521 /nfs/dbraw/zinc/67/35/21/1387673521.db2.gz SEZHPROQKUIFAL-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(C)c(C)c1 ZINC001437472108 1387673526 /nfs/dbraw/zinc/67/35/26/1387673526.db2.gz SEZHPROQKUIFAL-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)CC[C@H]2CCc3ccccc32)CCC1 ZINC001437473696 1387675984 /nfs/dbraw/zinc/67/59/84/1387675984.db2.gz WVKWAJDQOIBOHR-GOSISDBHSA-N 1 3 343.515 2.639 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC[C@H]2CCc3ccccc32)CCC1 ZINC001437473696 1387675986 /nfs/dbraw/zinc/67/59/86/1387675986.db2.gz WVKWAJDQOIBOHR-GOSISDBHSA-N 1 3 343.515 2.639 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001437472386 1387676086 /nfs/dbraw/zinc/67/60/86/1387676086.db2.gz NYEFUPGGPVEFKF-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001437472386 1387676091 /nfs/dbraw/zinc/67/60/91/1387676091.db2.gz NYEFUPGGPVEFKF-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)C/C=C\c1ccccc1 ZINC001403169797 1364390865 /nfs/dbraw/zinc/39/08/65/1364390865.db2.gz ZOOMCNMLKPLLGF-HJLMUGLJSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/Cl ZINC001403249495 1364461468 /nfs/dbraw/zinc/46/14/68/1364461468.db2.gz AYZZKSSASZSIFG-XKOZXHHJSA-N 1 3 329.916 2.686 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001403296626 1364512961 /nfs/dbraw/zinc/51/29/61/1364512961.db2.gz XHEMBQLQVUFTGZ-CVEARBPZSA-N 1 3 337.533 2.649 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCc2cccs2)C1 ZINC001403296651 1364513557 /nfs/dbraw/zinc/51/35/57/1364513557.db2.gz XHEMBQLQVUFTGZ-JKSUJKDBSA-N 1 3 337.533 2.649 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)C1C[NH+](CC2CCCCC2)C1 ZINC001403326661 1364544114 /nfs/dbraw/zinc/54/41/14/1364544114.db2.gz MOZGWYKMOQGYQF-INIZCTEOSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001403341276 1364555993 /nfs/dbraw/zinc/55/59/93/1364555993.db2.gz BFYFGUJHMSPDEP-CJNGLKHVSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001403398731 1364603309 /nfs/dbraw/zinc/60/33/09/1364603309.db2.gz ITZHDLGRVICEEC-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001403406995 1364611505 /nfs/dbraw/zinc/61/15/05/1364611505.db2.gz OHEXIDGLAGFNBL-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001403545513 1364749427 /nfs/dbraw/zinc/74/94/27/1364749427.db2.gz AWIISXDWTWEIPD-GFCCVEGCSA-N 1 3 343.924 2.822 20 0 EFADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H](C)c1ccccc1F ZINC001403596541 1364800329 /nfs/dbraw/zinc/80/03/29/1364800329.db2.gz VNMIUXBMFDQRKZ-GJZGRUSLSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001403685484 1364863179 /nfs/dbraw/zinc/86/31/79/1364863179.db2.gz LNEMNDVTLWHKFA-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001403685484 1364863184 /nfs/dbraw/zinc/86/31/84/1364863184.db2.gz LNEMNDVTLWHKFA-UHFFFAOYSA-N 1 3 333.520 2.829 20 0 EFADHO CN(CCNC(=O)CC1CC[NH+](C)CC1)[C@@H]1CCc2c1cccc2F ZINC001403703244 1364876179 /nfs/dbraw/zinc/87/61/79/1364876179.db2.gz ONBRCTFLYYFPFG-LJQANCHMSA-N 1 3 347.478 2.593 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001403728729 1364888084 /nfs/dbraw/zinc/88/80/84/1364888084.db2.gz SQERCKSRKXVRJH-UHFFFAOYSA-N 1 3 343.515 2.665 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001403783391 1364934405 /nfs/dbraw/zinc/93/44/05/1364934405.db2.gz JHZAMXBGMKNGLO-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCNC(=O)c1cccc(CN(C)C)c1 ZINC001403783391 1364934408 /nfs/dbraw/zinc/93/44/08/1364934408.db2.gz JHZAMXBGMKNGLO-UHFFFAOYSA-N 1 3 339.483 2.918 20 0 EFADHO CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)C1(N(C)C)CCC1 ZINC001403858289 1365001906 /nfs/dbraw/zinc/00/19/06/1365001906.db2.gz QYWZYLRQFAIDET-XYOKQWHBSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](C/C=C/c1ccccc1)CCNC(=O)C1(N(C)C)CCC1 ZINC001403858289 1365001910 /nfs/dbraw/zinc/00/19/10/1365001910.db2.gz QYWZYLRQFAIDET-XYOKQWHBSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1c(C)cccc1C ZINC001403864179 1365005843 /nfs/dbraw/zinc/00/58/43/1365005843.db2.gz YUZZUAJGSSMEHH-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)Cc1c(C)cccc1C ZINC001403864179 1365005846 /nfs/dbraw/zinc/00/58/46/1365005846.db2.gz YUZZUAJGSSMEHH-IBGZPJMESA-N 1 3 333.520 2.828 20 0 EFADHO CCN(CCNC(=O)C1(C[NH+](C)C)CC1)Cc1ccc(Cl)cc1 ZINC001403890177 1365019504 /nfs/dbraw/zinc/01/95/04/1365019504.db2.gz QPOVKIKUFXVQDZ-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001404072253 1365231964 /nfs/dbraw/zinc/23/19/64/1365231964.db2.gz FTRBGUILUUFQGA-JFYHIKNKSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001404072253 1365231967 /nfs/dbraw/zinc/23/19/67/1365231967.db2.gz FTRBGUILUUFQGA-JFYHIKNKSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075193 1365234476 /nfs/dbraw/zinc/23/44/76/1365234476.db2.gz DHRLCWXUFDGZDG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001404075193 1365234480 /nfs/dbraw/zinc/23/44/80/1365234480.db2.gz DHRLCWXUFDGZDG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001404084277 1365244849 /nfs/dbraw/zinc/24/48/49/1365244849.db2.gz OWLOAIUMHGGCNG-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001404084277 1365244853 /nfs/dbraw/zinc/24/48/53/1365244853.db2.gz OWLOAIUMHGGCNG-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001404096008 1365256696 /nfs/dbraw/zinc/25/66/96/1365256696.db2.gz RERJQXJGSWMRTF-QGZVFWFLSA-N 1 3 349.494 2.742 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001404096008 1365256701 /nfs/dbraw/zinc/25/67/01/1365256701.db2.gz RERJQXJGSWMRTF-QGZVFWFLSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@H+](C)CCCc1ccccc1 ZINC001437526547 1387731559 /nfs/dbraw/zinc/73/15/59/1387731559.db2.gz PMIYTGNAQZYVOO-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCCc1ccccc1 ZINC001437526547 1387731565 /nfs/dbraw/zinc/73/15/65/1387731565.db2.gz PMIYTGNAQZYVOO-FQEVSTJZSA-N 1 3 345.531 2.930 20 0 EFADHO C[C@@H]([NH2+]CC=C(Cl)Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404342284 1365462396 /nfs/dbraw/zinc/46/23/96/1365462396.db2.gz LHRVFMROBVCUCW-TZMCWYRMSA-N 1 3 348.318 2.616 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC001404502691 1365604960 /nfs/dbraw/zinc/60/49/60/1365604960.db2.gz UTVOBTLOAYYTGU-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CN(C)C1(C(=O)NCC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC001404502691 1365604964 /nfs/dbraw/zinc/60/49/64/1365604964.db2.gz UTVOBTLOAYYTGU-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001404505850 1365608247 /nfs/dbraw/zinc/60/82/47/1365608247.db2.gz AHHHASUFADIYGU-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001404505850 1365608252 /nfs/dbraw/zinc/60/82/52/1365608252.db2.gz AHHHASUFADIYGU-KRWDZBQOSA-N 1 3 340.471 2.597 20 0 EFADHO CCCN(C)CC(=O)NCC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001437552651 1387757185 /nfs/dbraw/zinc/75/71/85/1387757185.db2.gz XLSHRLFPBDHXOB-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO CCCN(C)CC(=O)NCC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC001437552651 1387757192 /nfs/dbraw/zinc/75/71/92/1387757192.db2.gz XLSHRLFPBDHXOB-QGZVFWFLSA-N 1 3 337.895 2.717 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+]([C@@H]3CCCc4ccccc43)C2)CCC1 ZINC001404891010 1365884626 /nfs/dbraw/zinc/88/46/26/1365884626.db2.gz UGQDDLOELIZWOQ-LJQANCHMSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001404910359 1365901456 /nfs/dbraw/zinc/90/14/56/1365901456.db2.gz VEPFOFGAXKUCSY-MRXNPFEDSA-N 1 3 325.541 2.695 20 0 EFADHO CN(C(=O)CCC[NH+](C)C)[C@@H]1CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001405112206 1366030142 /nfs/dbraw/zinc/03/01/42/1366030142.db2.gz JSNYIMGNZVCMPF-MJGOQNOKSA-N 1 3 347.478 2.688 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001437570097 1387782113 /nfs/dbraw/zinc/78/21/13/1387782113.db2.gz NOFYOHQOSXBBNN-PMACEKPBSA-N 1 3 343.515 2.986 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001437570097 1387782116 /nfs/dbraw/zinc/78/21/16/1387782116.db2.gz NOFYOHQOSXBBNN-PMACEKPBSA-N 1 3 343.515 2.986 20 0 EFADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001405329430 1366148937 /nfs/dbraw/zinc/14/89/37/1366148937.db2.gz BZSAUEZGXJTKQG-CJNGLKHVSA-N 1 3 343.874 2.804 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001405593698 1366310037 /nfs/dbraw/zinc/31/00/37/1366310037.db2.gz QZXRSQNHXIGCLK-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001405665158 1366327975 /nfs/dbraw/zinc/32/79/75/1366327975.db2.gz HKYNHZVHYYQTHI-IRXDYDNUSA-N 1 3 331.504 2.882 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1F ZINC001405671434 1366329657 /nfs/dbraw/zinc/32/96/57/1366329657.db2.gz FIWQNPURFPEIGM-CRAIPNDOSA-N 1 3 335.467 2.542 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CN1CC[C@H](C)C1)CC2 ZINC001405788664 1366416620 /nfs/dbraw/zinc/41/66/20/1366416620.db2.gz JGWSPKJSJDTRBK-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)CN(C)C1CCC1 ZINC001405818206 1366436762 /nfs/dbraw/zinc/43/67/62/1366436762.db2.gz ADPUZMKUMHGESX-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCc2c1cccc2F ZINC001437598921 1387810920 /nfs/dbraw/zinc/81/09/20/1387810920.db2.gz PZYIQADCYBDVPA-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H]1CCc2c1cccc2F ZINC001437598921 1387810923 /nfs/dbraw/zinc/81/09/23/1387810923.db2.gz PZYIQADCYBDVPA-GOSISDBHSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H](C)N(C)C(=O)CN1CCC(C)CC1 ZINC001405874857 1366483424 /nfs/dbraw/zinc/48/34/24/1366483424.db2.gz SEJFZFRNSBFAGM-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)[C@H](C)C1 ZINC001405959967 1367008042 /nfs/dbraw/zinc/00/80/42/1367008042.db2.gz DGXUZGXUQANHJW-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)[C@@H](C)C1 ZINC001405959940 1367008411 /nfs/dbraw/zinc/00/84/11/1367008411.db2.gz DGXUZGXUQANHJW-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001437625145 1387848252 /nfs/dbraw/zinc/84/82/52/1387848252.db2.gz DYKLLDFKCGWKKH-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)[C@H]1CCc2ccc(F)cc21 ZINC001437625145 1387848260 /nfs/dbraw/zinc/84/82/60/1387848260.db2.gz DYKLLDFKCGWKKH-BEFAXECRSA-N 1 3 347.478 2.593 20 0 EFADHO CCC(CC)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001405981393 1367046448 /nfs/dbraw/zinc/04/64/48/1367046448.db2.gz AGADJWIBEKENKI-UHFFFAOYSA-N 1 3 334.508 2.949 20 0 EFADHO CCC(CC)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001405981393 1367046457 /nfs/dbraw/zinc/04/64/57/1367046457.db2.gz AGADJWIBEKENKI-UHFFFAOYSA-N 1 3 334.508 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001406008480 1367085282 /nfs/dbraw/zinc/08/52/82/1367085282.db2.gz VYMLFVUAWSYWSG-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001437625953 1387851944 /nfs/dbraw/zinc/85/19/44/1387851944.db2.gz MPUIKDYEWLAJCL-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001437625953 1387851950 /nfs/dbraw/zinc/85/19/50/1387851950.db2.gz MPUIKDYEWLAJCL-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001406105114 1367234410 /nfs/dbraw/zinc/23/44/10/1367234410.db2.gz AOIPZDZSMGDVNG-INIZCTEOSA-N 1 3 347.494 2.788 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001406105114 1367234419 /nfs/dbraw/zinc/23/44/19/1367234419.db2.gz AOIPZDZSMGDVNG-INIZCTEOSA-N 1 3 347.494 2.788 20 0 EFADHO CCc1ccc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001406104947 1367234652 /nfs/dbraw/zinc/23/46/52/1367234652.db2.gz OBUXALBAYNYLIE-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001406104947 1367234656 /nfs/dbraw/zinc/23/46/56/1367234656.db2.gz OBUXALBAYNYLIE-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001406105203 1367235521 /nfs/dbraw/zinc/23/55/21/1367235521.db2.gz JPCDEYRZBAOXDN-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1ccccc1F ZINC001406105203 1367235527 /nfs/dbraw/zinc/23/55/27/1367235527.db2.gz JPCDEYRZBAOXDN-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406150302 1367321065 /nfs/dbraw/zinc/32/10/65/1367321065.db2.gz DZQBNXISTFQVQY-LJQANCHMSA-N 1 3 333.520 2.514 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001406150302 1367321072 /nfs/dbraw/zinc/32/10/72/1367321072.db2.gz DZQBNXISTFQVQY-LJQANCHMSA-N 1 3 333.520 2.514 20 0 EFADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc2ccccc2c1 ZINC001406170042 1367361344 /nfs/dbraw/zinc/36/13/44/1367361344.db2.gz WYFVVIDMMJIETH-HXUWFJFHSA-N 1 3 339.483 2.682 20 0 EFADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc2ccccc2c1 ZINC001406170042 1367361349 /nfs/dbraw/zinc/36/13/49/1367361349.db2.gz WYFVVIDMMJIETH-HXUWFJFHSA-N 1 3 339.483 2.682 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001406174042 1367367068 /nfs/dbraw/zinc/36/70/68/1367367068.db2.gz ZVPABBBPTWLODV-HOCLYGCPSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001406174042 1367367075 /nfs/dbraw/zinc/36/70/75/1367367075.db2.gz ZVPABBBPTWLODV-HOCLYGCPSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001406368137 1367529563 /nfs/dbraw/zinc/52/95/63/1367529563.db2.gz UPJRJGUYDISBDM-CABCVRRESA-N 1 3 333.451 2.609 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1C(C)C ZINC001437647615 1387888334 /nfs/dbraw/zinc/88/83/34/1387888334.db2.gz LRNMXGAUAHUZNG-SFHVURJKSA-N 1 3 331.504 2.700 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1C(C)C ZINC001437647615 1387888338 /nfs/dbraw/zinc/88/83/38/1387888338.db2.gz LRNMXGAUAHUZNG-SFHVURJKSA-N 1 3 331.504 2.700 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001406485413 1367638258 /nfs/dbraw/zinc/63/82/58/1367638258.db2.gz YEGDKXMQPDKSPF-INIZCTEOSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H](CNCc1sccc1Cl)NC(=O)C12CCC[NH+]1CCC2 ZINC001406500238 1367654054 /nfs/dbraw/zinc/65/40/54/1367654054.db2.gz WBZZTEVZJLKEHO-LBPRGKRZSA-N 1 3 341.908 2.624 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)s1 ZINC001406661580 1367882389 /nfs/dbraw/zinc/88/23/89/1367882389.db2.gz ZNXFHJHQLDJEBG-CXAGYDPISA-N 1 3 339.549 2.888 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001406670111 1367894421 /nfs/dbraw/zinc/89/44/21/1367894421.db2.gz QCGLDJDCXJDEHW-INIZCTEOSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)C1(N(C)C)CCC1)C1CC1)c1cccc(F)c1 ZINC001406770495 1368027392 /nfs/dbraw/zinc/02/73/92/1368027392.db2.gz GLSCCMVIFGROKL-KDOFPFPSSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)cs1 ZINC001406782859 1368044671 /nfs/dbraw/zinc/04/46/71/1368044671.db2.gz RNKDFOPVYRDOOL-MRXNPFEDSA-N 1 3 335.517 2.525 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN1Cc1cccc2ccccc21 ZINC001406886100 1368167547 /nfs/dbraw/zinc/16/75/47/1368167547.db2.gz ZEGMKCGJKVEGIE-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN1Cc1cccc2ccccc21 ZINC001406886100 1368167550 /nfs/dbraw/zinc/16/75/50/1368167550.db2.gz ZEGMKCGJKVEGIE-LJQANCHMSA-N 1 3 339.483 2.872 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@H+](CCCF)CC3CC3)CC2)CCC1 ZINC001407011350 1368321215 /nfs/dbraw/zinc/32/12/15/1368321215.db2.gz WOMSAAROLPMZDS-UHFFFAOYSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)C1(C(=O)N2CCC([N@@H+](CCCF)CC3CC3)CC2)CCC1 ZINC001407011350 1368321222 /nfs/dbraw/zinc/32/12/22/1368321222.db2.gz WOMSAAROLPMZDS-UHFFFAOYSA-N 1 3 339.499 2.533 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001492957615 1368324946 /nfs/dbraw/zinc/32/49/46/1368324946.db2.gz YMQGJSFZIKTUND-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001492957615 1368324951 /nfs/dbraw/zinc/32/49/51/1368324951.db2.gz YMQGJSFZIKTUND-IIDMSEBBSA-N 1 3 335.467 2.665 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccnc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001407084487 1368407779 /nfs/dbraw/zinc/40/77/79/1368407779.db2.gz HHGAOSXTZJNEDH-SJLPKXTDSA-N 1 3 346.519 2.529 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001407098443 1368423451 /nfs/dbraw/zinc/42/34/51/1368423451.db2.gz ICUYLFTYJXMQLM-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1 ZINC001407098443 1368423456 /nfs/dbraw/zinc/42/34/56/1368423456.db2.gz ICUYLFTYJXMQLM-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001407117019 1368444080 /nfs/dbraw/zinc/44/40/80/1368444080.db2.gz DPVKTEFAROWOLX-GOSISDBHSA-N 1 3 331.504 2.806 20 0 EFADHO COc1ccc(CN2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001407132502 1368467474 /nfs/dbraw/zinc/46/74/74/1368467474.db2.gz COZWZCCXLUZYFH-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC001407161880 1368521378 /nfs/dbraw/zinc/52/13/78/1368521378.db2.gz SOKHQTHCKUQZRS-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)CC[N@@H+](C)CC)cc1 ZINC001437689409 1387945684 /nfs/dbraw/zinc/94/56/84/1387945684.db2.gz VNQOOQJBQZIAIM-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(CN2CCC[C@H]2CNC(=O)CC[N@H+](C)CC)cc1 ZINC001437689409 1387945688 /nfs/dbraw/zinc/94/56/88/1387945688.db2.gz VNQOOQJBQZIAIM-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)CN(C)C2CCC2)C1 ZINC001407232282 1368623216 /nfs/dbraw/zinc/62/32/16/1368623216.db2.gz MZYTXPPHDWTZBO-OAQYLSRUSA-N 1 3 343.515 2.808 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001437710663 1387957020 /nfs/dbraw/zinc/95/70/20/1387957020.db2.gz DMVSXDCTKUCLQV-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001437710663 1387957023 /nfs/dbraw/zinc/95/70/23/1387957023.db2.gz DMVSXDCTKUCLQV-LJQANCHMSA-N 1 3 343.515 2.671 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001407587365 1369014578 /nfs/dbraw/zinc/01/45/78/1369014578.db2.gz AFVZTKQVHWLBKF-RYQLBKOJSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)c3cccc(F)c3)C[C@@H]2C1 ZINC001407587365 1369014582 /nfs/dbraw/zinc/01/45/82/1369014582.db2.gz AFVZTKQVHWLBKF-RYQLBKOJSA-N 1 3 347.478 2.619 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2CC)C1 ZINC001437733804 1387982162 /nfs/dbraw/zinc/98/21/62/1387982162.db2.gz AHAQSHPOCYTQEZ-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2CC)C1 ZINC001437733804 1387982165 /nfs/dbraw/zinc/98/21/65/1387982165.db2.gz AHAQSHPOCYTQEZ-QGZVFWFLSA-N 1 3 331.504 2.529 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001407775946 1369217232 /nfs/dbraw/zinc/21/72/32/1369217232.db2.gz JHZHTWIZNHWKBM-HNNXBMFYSA-N 1 3 343.462 2.533 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CCC1 ZINC001407788021 1369233146 /nfs/dbraw/zinc/23/31/46/1369233146.db2.gz RSVAHNSDIGLVQV-GOSISDBHSA-N 1 3 329.488 2.690 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NC/C=C\Cl)CCC2)cc1 ZINC001407817547 1369267609 /nfs/dbraw/zinc/26/76/09/1369267609.db2.gz AOZVYFRNUSFFHY-WCIBSUBMSA-N 1 3 335.879 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC2([NH2+]C/C=C/Cl)CCC2)c1 ZINC001407819729 1369270887 /nfs/dbraw/zinc/27/08/87/1369270887.db2.gz GHDGIORUICYQDO-BJMVGYQFSA-N 1 3 335.879 2.743 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2C)CCC1)N(C)C ZINC001407830227 1369283288 /nfs/dbraw/zinc/28/32/88/1369283288.db2.gz NCXCZQSWBILPDS-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001437742895 1387994530 /nfs/dbraw/zinc/99/45/30/1387994530.db2.gz QYVLSICTXSICBU-IRXDYDNUSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001437742895 1387994535 /nfs/dbraw/zinc/99/45/35/1387994535.db2.gz QYVLSICTXSICBU-IRXDYDNUSA-N 1 3 340.471 2.768 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001407921628 1369402658 /nfs/dbraw/zinc/40/26/58/1369402658.db2.gz PPUXRORNJHLZQV-QGZVFWFLSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCCN(C)C(=O)CN2CC[C@@H](C)C2)c1 ZINC001407921628 1369402662 /nfs/dbraw/zinc/40/26/62/1369402662.db2.gz PPUXRORNJHLZQV-QGZVFWFLSA-N 1 3 345.531 2.926 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001407956362 1369460191 /nfs/dbraw/zinc/46/01/91/1369460191.db2.gz PHRNZLGRORYEBG-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCN(C)Cc1cncc(C)c1 ZINC001407956362 1369460193 /nfs/dbraw/zinc/46/01/93/1369460193.db2.gz PHRNZLGRORYEBG-IBGZPJMESA-N 1 3 346.519 2.545 20 0 EFADHO CN(CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC1)C2)C1CCC1 ZINC001408046629 1369558202 /nfs/dbraw/zinc/55/82/02/1369558202.db2.gz HAEYWUXJESWIAM-UHFFFAOYSA-N 1 3 327.472 2.513 20 0 EFADHO CN(CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2)C1CCC1 ZINC001408046629 1369558218 /nfs/dbraw/zinc/55/82/18/1369558218.db2.gz HAEYWUXJESWIAM-UHFFFAOYSA-N 1 3 327.472 2.513 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(OC)c2)[C@H](C)C1 ZINC001408179250 1369685775 /nfs/dbraw/zinc/68/57/75/1369685775.db2.gz OTPQZYXDONNUAW-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(OC)c2)[C@H](C)C1 ZINC001408179250 1369685783 /nfs/dbraw/zinc/68/57/83/1369685783.db2.gz OTPQZYXDONNUAW-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001408249293 1369751247 /nfs/dbraw/zinc/75/12/47/1369751247.db2.gz KNIIXHVPJVXNMM-KBXCAEBGSA-N 1 3 340.471 2.823 20 0 EFADHO CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CN2CCC1CC2 ZINC001414189888 1370078628 /nfs/dbraw/zinc/07/86/28/1370078628.db2.gz ZVLVLKIHGPCIAJ-IRXDYDNUSA-N 1 3 339.524 2.715 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCCN2C)c1 ZINC001414525774 1370398371 /nfs/dbraw/zinc/39/83/71/1370398371.db2.gz SJRKIFCQUDESLT-IBGZPJMESA-N 1 3 346.519 2.812 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+]([C@@H](C)c1ccc(F)cc1)C1CC1)N(C)C ZINC001437794012 1388076910 /nfs/dbraw/zinc/07/69/10/1388076910.db2.gz ORSBMNKSQLHFEF-KBXCAEBGSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccc(F)cc1)C1CC1)N(C)C ZINC001437794012 1388076919 /nfs/dbraw/zinc/07/69/19/1388076919.db2.gz ORSBMNKSQLHFEF-KBXCAEBGSA-N 1 3 335.467 2.808 20 0 EFADHO CCc1cccc(C[N@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001437792938 1388076943 /nfs/dbraw/zinc/07/69/43/1388076943.db2.gz PGTMEOXVYXTPHJ-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO CCc1cccc(C[N@@H+](CCNC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001437792938 1388076954 /nfs/dbraw/zinc/07/69/54/1388076954.db2.gz PGTMEOXVYXTPHJ-UHFFFAOYSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001437807397 1388093341 /nfs/dbraw/zinc/09/33/41/1388093341.db2.gz HHRXLNQTOWECLZ-HNNXBMFYSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001437807403 1388094240 /nfs/dbraw/zinc/09/42/40/1388094240.db2.gz HHRXLNQTOWECLZ-OAHLLOKOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001437833634 1388125344 /nfs/dbraw/zinc/12/53/44/1388125344.db2.gz ZEGSEKJNZMPFAH-CYBMUJFWSA-N 1 3 343.874 2.930 20 0 EFADHO CC[C@@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccccc1 ZINC001437847108 1388138622 /nfs/dbraw/zinc/13/86/22/1388138622.db2.gz ZATDYGVCJQEFEO-LJQANCHMSA-N 1 3 331.504 2.918 20 0 EFADHO CN(CC(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)CC(C)(C)C ZINC001437873200 1388159817 /nfs/dbraw/zinc/15/98/17/1388159817.db2.gz FAGNKNFBMRWARM-GOSISDBHSA-N 1 3 331.504 2.821 20 0 EFADHO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCN(CCCF)C1 ZINC001437913999 1388216148 /nfs/dbraw/zinc/21/61/48/1388216148.db2.gz VTDWJBNXOQAXTG-GOSISDBHSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001417765838 1373228888 /nfs/dbraw/zinc/22/88/88/1373228888.db2.gz VQCPAEXZKIICKC-RKVPGOIHSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417764979 1373229562 /nfs/dbraw/zinc/22/95/62/1373229562.db2.gz QXLFCZVDIOMENS-HDICACEKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1 ZINC001417786961 1373252159 /nfs/dbraw/zinc/25/21/59/1373252159.db2.gz OYIOPAZLHWXNDM-JFIYKMOQSA-N 1 3 329.488 2.716 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001417792778 1373259606 /nfs/dbraw/zinc/25/96/06/1373259606.db2.gz TZRHDEDKRBRLSN-ZOBUZTSGSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@H](NCCF)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001417893755 1373380892 /nfs/dbraw/zinc/38/08/92/1373380892.db2.gz ZIFTWRYQRGNIPQ-DLBZAZTESA-N 1 3 327.488 2.581 20 0 EFADHO C[C@@H](NCCF)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001417893756 1373380902 /nfs/dbraw/zinc/38/09/02/1373380902.db2.gz ZIFTWRYQRGNIPQ-IAGOWNOFSA-N 1 3 327.488 2.581 20 0 EFADHO CN(CC(=O)N(C)C1CC[NH+](CCc2cccs2)CC1)C1CCC1 ZINC001417895796 1373384345 /nfs/dbraw/zinc/38/43/45/1373384345.db2.gz NCTHCAPSKLJNNK-UHFFFAOYSA-N 1 3 349.544 2.698 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CCN([C@H]2CCCc3ccc(F)cc32)C1 ZINC001417943772 1373433643 /nfs/dbraw/zinc/43/36/43/1373433643.db2.gz KYQDBJQIMBBQFH-HKUYNNGSSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001417945156 1373435458 /nfs/dbraw/zinc/43/54/58/1373435458.db2.gz VGRRNYNJZRTIAM-JXFKEZNVSA-N 1 3 343.515 2.769 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001417945156 1373435461 /nfs/dbraw/zinc/43/54/61/1373435461.db2.gz VGRRNYNJZRTIAM-JXFKEZNVSA-N 1 3 343.515 2.769 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001417948072 1373439081 /nfs/dbraw/zinc/43/90/81/1373439081.db2.gz QHRUOLRABRMQCH-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(Cc2ccccc2CC)C1 ZINC001417948072 1373439084 /nfs/dbraw/zinc/43/90/84/1373439084.db2.gz QHRUOLRABRMQCH-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001417954134 1373446674 /nfs/dbraw/zinc/44/66/74/1373446674.db2.gz KTDDENQTJMXXDR-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC12CCN(Cc1cccc(F)c1)CC2 ZINC001417954134 1373446676 /nfs/dbraw/zinc/44/66/76/1373446676.db2.gz KTDDENQTJMXXDR-GOSISDBHSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1F ZINC001418063358 1373568980 /nfs/dbraw/zinc/56/89/80/1373568980.db2.gz QTRSKCGLQRRKSJ-KKUMJFAQSA-N 1 3 333.451 2.608 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccccc3Cl)C2)CCC1 ZINC001418065093 1373571709 /nfs/dbraw/zinc/57/17/09/1373571709.db2.gz XPBRCDHXDFQDGC-WKILWMFISA-N 1 3 349.906 2.604 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001418173771 1373728482 /nfs/dbraw/zinc/72/84/82/1373728482.db2.gz NVRVGXRNTPLRSK-GOSISDBHSA-N 1 3 335.467 2.638 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180040 1373740903 /nfs/dbraw/zinc/74/09/03/1373740903.db2.gz PZGGRDDCYQWRNA-XJEZRWEYSA-N 1 3 347.547 2.734 20 0 EFADHO C[C@H]1CCC[C@@H](CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C2CCC2)C1 ZINC001418180040 1373740905 /nfs/dbraw/zinc/74/09/05/1373740905.db2.gz PZGGRDDCYQWRNA-XJEZRWEYSA-N 1 3 347.547 2.734 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2cccc(OC)c2)CC1)N(C)C ZINC001418189008 1373753329 /nfs/dbraw/zinc/75/33/29/1373753329.db2.gz JFZUDOSRADRSMZ-TVPLGVNVSA-N 1 3 347.503 2.552 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001418296266 1373871430 /nfs/dbraw/zinc/87/14/30/1373871430.db2.gz ANUOKUGPNXFUHE-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001418296156 1373871700 /nfs/dbraw/zinc/87/17/00/1373871700.db2.gz ANUOKUGPNXFUHE-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC001418350506 1373923260 /nfs/dbraw/zinc/92/32/60/1373923260.db2.gz RGEJAWKZBRXRLK-GOSISDBHSA-N 1 3 331.504 2.583 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001418363001 1373935868 /nfs/dbraw/zinc/93/58/68/1373935868.db2.gz VFMMPZXFBUZBTJ-LJQANCHMSA-N 1 3 331.504 2.718 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001418402869 1373983524 /nfs/dbraw/zinc/98/35/24/1373983524.db2.gz PACBRICFLRIHQZ-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001418461402 1374049754 /nfs/dbraw/zinc/04/97/54/1374049754.db2.gz JPAUBHQAQRGZHV-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001418461402 1374049758 /nfs/dbraw/zinc/04/97/58/1374049758.db2.gz JPAUBHQAQRGZHV-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001418462120 1374051081 /nfs/dbraw/zinc/05/10/81/1374051081.db2.gz MBULSJDECVRZJQ-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CCc1cccc(CN(C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001418462120 1374051094 /nfs/dbraw/zinc/05/10/94/1374051094.db2.gz MBULSJDECVRZJQ-IBGZPJMESA-N 1 3 331.504 2.670 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(C)c1 ZINC001418550991 1374166894 /nfs/dbraw/zinc/16/68/94/1374166894.db2.gz WLZZNAPHTPJRHC-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1cccc(C)c1 ZINC001418550991 1374166903 /nfs/dbraw/zinc/16/69/03/1374166903.db2.gz WLZZNAPHTPJRHC-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CCN(CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(Cl)c1 ZINC001418563759 1374187059 /nfs/dbraw/zinc/18/70/59/1374187059.db2.gz BCUFILHTDCPAIQ-UHFFFAOYSA-N 1 3 337.895 2.620 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@H+](C)C/C=C\Cl)C2)c1 ZINC001437990438 1388303412 /nfs/dbraw/zinc/30/34/12/1388303412.db2.gz NEIYOVJBFHHOLB-OOYWPUHTSA-N 1 3 349.906 2.895 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[N@@H+](C)C/C=C\Cl)C2)c1 ZINC001437990438 1388303417 /nfs/dbraw/zinc/30/34/17/1388303417.db2.gz NEIYOVJBFHHOLB-OOYWPUHTSA-N 1 3 349.906 2.895 20 0 EFADHO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001418662373 1374338342 /nfs/dbraw/zinc/33/83/42/1374338342.db2.gz VJDDSUDCLWLTLW-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001418662373 1374338349 /nfs/dbraw/zinc/33/83/49/1374338349.db2.gz VJDDSUDCLWLTLW-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001418690254 1374373414 /nfs/dbraw/zinc/37/34/14/1374373414.db2.gz NTXUJIPQIJRUGH-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001418690254 1374373420 /nfs/dbraw/zinc/37/34/20/1374373420.db2.gz NTXUJIPQIJRUGH-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CN(C)CC(C)(C)C ZINC001418736140 1374439586 /nfs/dbraw/zinc/43/95/86/1374439586.db2.gz CSEQLZRPBFCZMA-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001438005455 1388319049 /nfs/dbraw/zinc/31/90/49/1388319049.db2.gz VOUMHSURFDPBJH-UHFFFAOYSA-N 1 3 334.508 2.949 20 0 EFADHO C[N@@H+](CCCC(C)(C)C)CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001438005455 1388319054 /nfs/dbraw/zinc/31/90/54/1388319054.db2.gz VOUMHSURFDPBJH-UHFFFAOYSA-N 1 3 334.508 2.949 20 0 EFADHO Cc1ccc(C[N@@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)cc1 ZINC001418759195 1374468135 /nfs/dbraw/zinc/46/81/35/1374468135.db2.gz DWWXMPBHSXKRHQ-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO Cc1ccc(C[N@H+](CCNC(=O)CN(C)C2CCC2)C2CC2)cc1 ZINC001418759195 1374468136 /nfs/dbraw/zinc/46/81/36/1374468136.db2.gz DWWXMPBHSXKRHQ-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418796671 1374514049 /nfs/dbraw/zinc/51/40/49/1374514049.db2.gz KHCBMPWUWKFTJZ-GDBMZVCRSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H](c1ccc(Cl)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418796671 1374514055 /nfs/dbraw/zinc/51/40/55/1374514055.db2.gz KHCBMPWUWKFTJZ-GDBMZVCRSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418799079 1374518580 /nfs/dbraw/zinc/51/85/80/1374518580.db2.gz SSVZTEXYUBQKNR-ZBFHGGJFSA-N 1 3 349.906 2.933 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418799079 1374518581 /nfs/dbraw/zinc/51/85/81/1374518581.db2.gz SSVZTEXYUBQKNR-ZBFHGGJFSA-N 1 3 349.906 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)N(C)C ZINC001418855525 1374580636 /nfs/dbraw/zinc/58/06/36/1374580636.db2.gz PXDFYIIPIWADSS-OALUTQOASA-N 1 3 331.504 2.820 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001418905372 1374665271 /nfs/dbraw/zinc/66/52/71/1374665271.db2.gz HKMWVFZWMUMCRF-GOSISDBHSA-N 1 3 340.471 2.597 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001418905372 1374665273 /nfs/dbraw/zinc/66/52/73/1374665273.db2.gz HKMWVFZWMUMCRF-GOSISDBHSA-N 1 3 340.471 2.597 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC[C@@H]2CCN(C/C=C/Cl)C2)CC1 ZINC001418907715 1374671058 /nfs/dbraw/zinc/67/10/58/1374671058.db2.gz VLFVDFXSUJJCFW-ILNGBFOMSA-N 1 3 341.927 2.688 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001418914040 1374679669 /nfs/dbraw/zinc/67/96/69/1374679669.db2.gz NJADGMXPJZCXFQ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001418914040 1374679673 /nfs/dbraw/zinc/67/96/73/1374679673.db2.gz NJADGMXPJZCXFQ-ICSRJNTNSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934516 1374702366 /nfs/dbraw/zinc/70/23/66/1374702366.db2.gz WVPJONZOHDRRFY-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001418934516 1374702371 /nfs/dbraw/zinc/70/23/71/1374702371.db2.gz WVPJONZOHDRRFY-ZWKOTPCHSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@H](C(=O)NCC1CN(Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001419032088 1374777067 /nfs/dbraw/zinc/77/70/67/1374777067.db2.gz QMQKCYVFYRAZTP-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001419042845 1374786024 /nfs/dbraw/zinc/78/60/24/1374786024.db2.gz RBASWKADILIVEO-QGZVFWFLSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN([C@H](C)c2ccccc2C)C1 ZINC001419042845 1374786020 /nfs/dbraw/zinc/78/60/20/1374786020.db2.gz RBASWKADILIVEO-QGZVFWFLSA-N 1 3 331.504 2.836 20 0 EFADHO C[N@H+](CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)C1CCCCC1 ZINC001419055037 1374795658 /nfs/dbraw/zinc/79/56/58/1374795658.db2.gz ZDPGQCQSRIUKBF-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO C[N@@H+](CCC(=O)N1C[C@@H]2C[C@H]1CN2CCC1CC1)C1CCCCC1 ZINC001419055037 1374795663 /nfs/dbraw/zinc/79/56/63/1374795663.db2.gz ZDPGQCQSRIUKBF-OALUTQOASA-N 1 3 333.520 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ncccc1C ZINC001419077924 1374816908 /nfs/dbraw/zinc/81/69/08/1374816908.db2.gz KVGVHAPEATYVNV-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ncccc1C ZINC001419077924 1374816914 /nfs/dbraw/zinc/81/69/14/1374816914.db2.gz KVGVHAPEATYVNV-MJGOQNOKSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc(C)ccc1C ZINC001419193019 1374938703 /nfs/dbraw/zinc/93/87/03/1374938703.db2.gz IGONMYGAVNOWIJ-SFHVURJKSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](Cc1ccccc1C)CC2)N(C)C ZINC001419201551 1374947379 /nfs/dbraw/zinc/94/73/79/1374947379.db2.gz AAWMHKYMUJAWBO-RBUKOAKNSA-N 1 3 343.515 2.806 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1)CC(C)(C)C ZINC001419441777 1375277406 /nfs/dbraw/zinc/27/74/06/1375277406.db2.gz FDFNVXDWUBPCIZ-AYHJJNSGSA-N 1 3 335.536 2.876 20 0 EFADHO CN(CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1)CC(C)(C)C ZINC001419441777 1375277412 /nfs/dbraw/zinc/27/74/12/1375277412.db2.gz FDFNVXDWUBPCIZ-AYHJJNSGSA-N 1 3 335.536 2.876 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001419455086 1375296145 /nfs/dbraw/zinc/29/61/45/1375296145.db2.gz CGWVPXRNBFDGRO-AOKQLNRQSA-N 1 3 327.900 2.582 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001419455086 1375296149 /nfs/dbraw/zinc/29/61/49/1375296149.db2.gz CGWVPXRNBFDGRO-AOKQLNRQSA-N 1 3 327.900 2.582 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001419468859 1375313322 /nfs/dbraw/zinc/31/33/22/1375313322.db2.gz LGXXWMDVSMFOIB-HNNXBMFYSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001419523832 1375383973 /nfs/dbraw/zinc/38/39/73/1375383973.db2.gz APWPCLYXTNNBNV-WBMJQRKESA-N 1 3 343.874 2.661 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001419527883 1375390475 /nfs/dbraw/zinc/39/04/75/1375390475.db2.gz NWEJMELFUNNMNO-CQSZACIVSA-N 1 3 342.487 2.728 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC001419528503 1375392670 /nfs/dbraw/zinc/39/26/70/1375392670.db2.gz PRHQTBZZICRJHI-KSSFIOAISA-N 1 3 340.471 2.680 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001419539830 1375415799 /nfs/dbraw/zinc/41/57/99/1375415799.db2.gz GNXUMCYBVIENLA-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001419539830 1375415806 /nfs/dbraw/zinc/41/58/06/1375415806.db2.gz GNXUMCYBVIENLA-UXHICEINSA-N 1 3 345.531 2.644 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001419566876 1375460885 /nfs/dbraw/zinc/46/08/85/1375460885.db2.gz VDGOQGOSCPAKSX-LJQANCHMSA-N 1 3 331.504 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC001419566872 1375461466 /nfs/dbraw/zinc/46/14/66/1375461466.db2.gz VDGOQGOSCPAKSX-IBGZPJMESA-N 1 3 331.504 2.665 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001419567518 1375463609 /nfs/dbraw/zinc/46/36/09/1375463609.db2.gz OGUAISWFRZSPQP-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC001419612057 1375537738 /nfs/dbraw/zinc/53/77/38/1375537738.db2.gz QHNKCLLPJQWTBZ-KRWDZBQOSA-N 1 3 337.533 2.869 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cccc(OC)c2)CCCC1)N(C)C ZINC001419618967 1375554423 /nfs/dbraw/zinc/55/44/23/1375554423.db2.gz ZAJAUPGGWVMUDD-SFHVURJKSA-N 1 3 347.503 2.554 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001419626074 1375573620 /nfs/dbraw/zinc/57/36/20/1375573620.db2.gz JEXARHLKQPPTRQ-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001419626074 1375573621 /nfs/dbraw/zinc/57/36/21/1375573621.db2.gz JEXARHLKQPPTRQ-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001419626664 1375576118 /nfs/dbraw/zinc/57/61/18/1375576118.db2.gz MIXALXHWXURQEV-RUZMYDRRSA-N 1 3 341.927 2.832 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001419633917 1375599690 /nfs/dbraw/zinc/59/96/90/1375599690.db2.gz RGZFESADJQRWAL-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001419633917 1375599696 /nfs/dbraw/zinc/59/96/96/1375599696.db2.gz RGZFESADJQRWAL-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001419638274 1375610929 /nfs/dbraw/zinc/61/09/29/1375610929.db2.gz SVRYGVCOXDBSLI-LTBXPFIXSA-N 1 3 341.927 2.688 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCN2C)cc1 ZINC001419702035 1375741511 /nfs/dbraw/zinc/74/15/11/1375741511.db2.gz MVJLVRYYKGSYIW-VQIMIIECSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001419745955 1375805593 /nfs/dbraw/zinc/80/55/93/1375805593.db2.gz BHBQNQIWSSAVAN-ZIAGYGMSSA-N 1 3 341.446 2.804 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)c1 ZINC001419750097 1375812180 /nfs/dbraw/zinc/81/21/80/1375812180.db2.gz ZPWKSWZSTRJLSX-LJQANCHMSA-N 1 3 345.531 2.972 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001419750080 1375812313 /nfs/dbraw/zinc/81/23/13/1375812313.db2.gz ZOGOJQSUINENRJ-MSOLQXFVSA-N 1 3 331.504 2.916 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)[C@H](C)C1 ZINC001419813844 1375925712 /nfs/dbraw/zinc/92/57/12/1375925712.db2.gz CTWPTKWZJBPFBF-VQIMIIECSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001419824743 1375943539 /nfs/dbraw/zinc/94/35/39/1375943539.db2.gz QSRCAFRSJBQQCF-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001419832094 1375954156 /nfs/dbraw/zinc/95/41/56/1375954156.db2.gz OZUUFOXVRXHRSN-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C)cs1 ZINC001419857495 1376012097 /nfs/dbraw/zinc/01/20/97/1376012097.db2.gz YJEBMQKEVAZZTO-ZDUSSCGKSA-N 1 3 325.522 2.629 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001419914591 1376120248 /nfs/dbraw/zinc/12/02/48/1376120248.db2.gz SHPIKGGASKQETJ-ZIAGYGMSSA-N 1 3 325.884 2.837 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001419914578 1376120608 /nfs/dbraw/zinc/12/06/08/1376120608.db2.gz SHPIKGGASKQETJ-KBPBESRZSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001419964678 1376199084 /nfs/dbraw/zinc/19/90/84/1376199084.db2.gz DCDUDYFDZAGPRH-OAHLLOKOSA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001419964678 1376199093 /nfs/dbraw/zinc/19/90/93/1376199093.db2.gz DCDUDYFDZAGPRH-OAHLLOKOSA-N 1 3 335.467 2.761 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCCN1C ZINC001419974399 1376217297 /nfs/dbraw/zinc/21/72/97/1376217297.db2.gz ZNGDKDSKNXSFRY-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)[C@H]1CCCCN1C ZINC001419974399 1376217307 /nfs/dbraw/zinc/21/73/07/1376217307.db2.gz ZNGDKDSKNXSFRY-RBUKOAKNSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@H](c1cccc(F)c1)N(C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001419992286 1376244643 /nfs/dbraw/zinc/24/46/43/1376244643.db2.gz WGLIAFPHOYSURQ-MRXNPFEDSA-N 1 3 347.478 2.905 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)C1 ZINC001420007894 1376270919 /nfs/dbraw/zinc/27/09/19/1376270919.db2.gz XOGBJGWCUQCZKJ-HNAYVOBHSA-N 1 3 347.478 2.545 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)[C@@H]2CCc3c2cccc3F)C1 ZINC001420007894 1376270924 /nfs/dbraw/zinc/27/09/24/1376270924.db2.gz XOGBJGWCUQCZKJ-HNAYVOBHSA-N 1 3 347.478 2.545 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)C1 ZINC001420007891 1376271892 /nfs/dbraw/zinc/27/18/92/1376271892.db2.gz XOGBJGWCUQCZKJ-BEFAXECRSA-N 1 3 347.478 2.545 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN(C)[C@H]2CCc3c2cccc3F)C1 ZINC001420007891 1376271893 /nfs/dbraw/zinc/27/18/93/1376271893.db2.gz XOGBJGWCUQCZKJ-BEFAXECRSA-N 1 3 347.478 2.545 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420008372 1376273241 /nfs/dbraw/zinc/27/32/41/1376273241.db2.gz DQDNSERQFFDPRG-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001420008372 1376273243 /nfs/dbraw/zinc/27/32/43/1376273243.db2.gz DQDNSERQFFDPRG-OALUTQOASA-N 1 3 349.494 2.934 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001420023021 1376303348 /nfs/dbraw/zinc/30/33/48/1376303348.db2.gz POMCBMFVHHHWHQ-VOTDVEDPSA-N 1 3 329.916 2.734 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001420028230 1376315358 /nfs/dbraw/zinc/31/53/58/1376315358.db2.gz LGDLZEVVRLEWFD-QZTJIDSGSA-N 1 3 329.488 2.688 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1)C1CCC1 ZINC001420028231 1376315490 /nfs/dbraw/zinc/31/54/90/1376315490.db2.gz LGDLZEVVRLEWFD-ROUUACIJSA-N 1 3 329.488 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2C)C1 ZINC001420044413 1376365733 /nfs/dbraw/zinc/36/57/33/1376365733.db2.gz SPAMZKOKCAZLCG-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C)C1 ZINC001420044413 1376365745 /nfs/dbraw/zinc/36/57/45/1376365745.db2.gz SPAMZKOKCAZLCG-IBGZPJMESA-N 1 3 349.494 2.899 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438251354 1388450597 /nfs/dbraw/zinc/45/05/97/1388450597.db2.gz YSTDUONFIDTMJT-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438251354 1388450602 /nfs/dbraw/zinc/45/06/02/1388450602.db2.gz YSTDUONFIDTMJT-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@H]1CCc2c1cccc2Cl ZINC001420285466 1376667321 /nfs/dbraw/zinc/66/73/21/1376667321.db2.gz VGDDCBGEWPINLT-KRWDZBQOSA-N 1 3 349.906 2.717 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)C1(N(C)C)CCC1 ZINC001420299052 1376688538 /nfs/dbraw/zinc/68/85/38/1376688538.db2.gz KTZKALUEOYVGAD-QAPCUYQASA-N 1 3 329.488 2.643 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)CN(C)CC(C)(C)C ZINC001420344637 1376774073 /nfs/dbraw/zinc/77/40/73/1376774073.db2.gz PXXZFYGECCTHBP-MRXNPFEDSA-N 1 3 345.531 2.748 20 0 EFADHO CCN(CCNC(=O)CCC[NH+](C)C)[C@@H]1CCc2c1cccc2F ZINC001420432601 1376959461 /nfs/dbraw/zinc/95/94/61/1376959461.db2.gz TWISBILKRSORCU-GOSISDBHSA-N 1 3 335.467 2.593 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)CCc1cccs1 ZINC001420457302 1377009887 /nfs/dbraw/zinc/00/98/87/1377009887.db2.gz GEBVXUVIFZRIPF-QGZVFWFLSA-N 1 3 337.533 2.603 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)CCc1cccs1 ZINC001420457302 1377009896 /nfs/dbraw/zinc/00/98/96/1377009896.db2.gz GEBVXUVIFZRIPF-QGZVFWFLSA-N 1 3 337.533 2.603 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001420550789 1377176933 /nfs/dbraw/zinc/17/69/33/1377176933.db2.gz GTTXNJLQKZXWFY-QGZVFWFLSA-N 1 3 340.471 2.516 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)ccc2C)C1 ZINC001420550789 1377176934 /nfs/dbraw/zinc/17/69/34/1377176934.db2.gz GTTXNJLQKZXWFY-QGZVFWFLSA-N 1 3 340.471 2.516 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001420563003 1377206691 /nfs/dbraw/zinc/20/66/91/1377206691.db2.gz ZHAUAGLKRRJNIS-GOSISDBHSA-N 1 3 347.478 2.640 20 0 EFADHO C[C@@H](CN(C)Cc1cccc(Cl)c1)NC(=O)C12CCC[NH+]1CCC2 ZINC001420598472 1377286346 /nfs/dbraw/zinc/28/63/46/1377286346.db2.gz URFUJNSQMQURMG-HNNXBMFYSA-N 1 3 349.906 2.905 20 0 EFADHO CCC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)c(C)c1 ZINC001420602811 1377297753 /nfs/dbraw/zinc/29/77/53/1377297753.db2.gz AAOINCPWFUVJLL-QGZVFWFLSA-N 1 3 345.531 2.973 20 0 EFADHO CCC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C)c(C)c1 ZINC001420602811 1377297763 /nfs/dbraw/zinc/29/77/63/1377297763.db2.gz AAOINCPWFUVJLL-QGZVFWFLSA-N 1 3 345.531 2.973 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001420616375 1377333492 /nfs/dbraw/zinc/33/34/92/1377333492.db2.gz UFEXHCFURRJCNB-LSDHHAIUSA-N 1 3 335.467 2.665 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001420668070 1377461140 /nfs/dbraw/zinc/46/11/40/1377461140.db2.gz XUHNDCOXDBRMCW-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001420668070 1377461142 /nfs/dbraw/zinc/46/11/42/1377461142.db2.gz XUHNDCOXDBRMCW-LPHOPBHVSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1ccc(C)c(CN(CCNC(=O)C2CC[NH+](C)CC2)C2CC2)c1 ZINC001420686937 1377499175 /nfs/dbraw/zinc/49/91/75/1377499175.db2.gz OJBUPLOWZLRHQB-UHFFFAOYSA-N 1 3 343.515 2.726 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001420737690 1377584864 /nfs/dbraw/zinc/58/48/64/1377584864.db2.gz IOVOOEPYRDQRLG-CZUORRHYSA-N 1 3 325.884 2.789 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001420763774 1377616862 /nfs/dbraw/zinc/61/68/62/1377616862.db2.gz YEFALCRSOVYYLN-MRXNPFEDSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1C ZINC001420792208 1377675031 /nfs/dbraw/zinc/67/50/31/1377675031.db2.gz MNVUQIBNEKCZLC-BGYRXZFFSA-N 1 3 343.515 2.820 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1C ZINC001420792208 1377675035 /nfs/dbraw/zinc/67/50/35/1377675035.db2.gz MNVUQIBNEKCZLC-BGYRXZFFSA-N 1 3 343.515 2.820 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001420889245 1377841096 /nfs/dbraw/zinc/84/10/96/1377841096.db2.gz WJPZXAKIPARVNY-VWTAQGJOSA-N 1 3 341.927 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001421006857 1378011266 /nfs/dbraw/zinc/01/12/66/1378011266.db2.gz LQIRXFZBLXVWOF-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001421006857 1378011268 /nfs/dbraw/zinc/01/12/68/1378011268.db2.gz LQIRXFZBLXVWOF-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CC2CC2)C2CCCCCC2)C1 ZINC001421016394 1378025241 /nfs/dbraw/zinc/02/52/41/1378025241.db2.gz MFBVHFMOOZUPNS-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CC2CC2)C2CCCCCC2)C1 ZINC001421016394 1378025244 /nfs/dbraw/zinc/02/52/44/1378025244.db2.gz MFBVHFMOOZUPNS-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001421034989 1378052465 /nfs/dbraw/zinc/05/24/65/1378052465.db2.gz CKJBJAHQBKAPDK-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001421034989 1378052472 /nfs/dbraw/zinc/05/24/72/1378052472.db2.gz CKJBJAHQBKAPDK-HXUWFJFHSA-N 1 3 335.536 2.833 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041203 1378057887 /nfs/dbraw/zinc/05/78/87/1378057887.db2.gz UDPFYUMBDZYKFZ-VQIMIIECSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001421041203 1378057889 /nfs/dbraw/zinc/05/78/89/1378057889.db2.gz UDPFYUMBDZYKFZ-VQIMIIECSA-N 1 3 332.492 2.559 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CCCC1)N(C)C ZINC001421167293 1378216499 /nfs/dbraw/zinc/21/64/99/1378216499.db2.gz IPKCLLUHLXUWQT-OALUTQOASA-N 1 3 349.494 2.931 20 0 EFADHO CC[C@@H](C(=O)NCC1C[NH+](Cc2cccc3ccccc32)C1)N(C)C ZINC001421179716 1378238070 /nfs/dbraw/zinc/23/80/70/1378238070.db2.gz JYOKOZMUHHAIQK-FQEVSTJZSA-N 1 3 339.483 2.728 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001421204710 1378274187 /nfs/dbraw/zinc/27/41/87/1378274187.db2.gz VUXYWQSBIVFTAV-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CCC1CCCC1 ZINC001421211451 1378284823 /nfs/dbraw/zinc/28/48/23/1378284823.db2.gz FJOOQVVESOYGMD-OALUTQOASA-N 1 3 333.520 2.728 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001421247166 1378342188 /nfs/dbraw/zinc/34/21/88/1378342188.db2.gz AENHPARRQCJNRP-FPOVZHCZSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2ccccc2C)C1 ZINC001421544636 1378787250 /nfs/dbraw/zinc/78/72/50/1378787250.db2.gz PKLBQZDIUJEABA-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC001421550724 1378797306 /nfs/dbraw/zinc/79/73/06/1378797306.db2.gz WTDGJTBHUYHOSA-SFHVURJKSA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC001421550724 1378797309 /nfs/dbraw/zinc/79/73/09/1378797309.db2.gz WTDGJTBHUYHOSA-SFHVURJKSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCc2ccc(C[NH2+]CC3CCC3)cc2)C1 ZINC001421604555 1378873066 /nfs/dbraw/zinc/87/30/66/1378873066.db2.gz AYZIHISCEKURLA-MRXNPFEDSA-N 1 3 329.488 2.534 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001421760922 1379092941 /nfs/dbraw/zinc/09/29/41/1379092941.db2.gz SLFLIHXVJKIITG-DNVCBOLYSA-N 1 3 333.520 2.732 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]C/C=C/Cl)CCCC1 ZINC001421818611 1379174786 /nfs/dbraw/zinc/17/47/86/1379174786.db2.gz NTTWAIMKEXZLPW-WCLQSUPFSA-N 1 3 327.900 2.632 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCCC1)N(C)C ZINC001421850467 1379237866 /nfs/dbraw/zinc/23/78/66/1379237866.db2.gz XQGHRHXYNUYVQU-HNNXBMFYSA-N 1 3 345.478 2.637 20 0 EFADHO C[C@@H]([NH2+]CCC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1 ZINC001438436261 1388598806 /nfs/dbraw/zinc/59/88/06/1388598806.db2.gz ILWZLIQCEMVGAN-MRXNPFEDSA-N 1 3 340.471 2.932 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421868397 1379272490 /nfs/dbraw/zinc/27/24/90/1379272490.db2.gz DGUXLPDJPATUGE-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)CCCN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001421868397 1379272496 /nfs/dbraw/zinc/27/24/96/1379272496.db2.gz DGUXLPDJPATUGE-MRXNPFEDSA-N 1 3 349.494 2.756 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001421991401 1379448327 /nfs/dbraw/zinc/44/83/27/1379448327.db2.gz MHIJOBJVKRSZFI-SFHVURJKSA-N 1 3 333.520 2.890 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001422029278 1379512735 /nfs/dbraw/zinc/51/27/35/1379512735.db2.gz KWZPFMAUECVQKS-KGLIPLIRSA-N 1 3 349.441 2.640 20 0 EFADHO C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1NCC=C(Cl)Cl ZINC001422053482 1379547495 /nfs/dbraw/zinc/54/74/95/1379547495.db2.gz CVUCSWYEAJAZRO-KBPBESRZSA-N 1 3 348.318 2.618 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]2C)c1 ZINC001422054625 1379548664 /nfs/dbraw/zinc/54/86/64/1379548664.db2.gz FGFCTNAOYMVGPN-PKOBYXMFSA-N 1 3 345.531 2.909 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC001422078776 1379581831 /nfs/dbraw/zinc/58/18/31/1379581831.db2.gz GKFMNLWSHPUIEP-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC001422078776 1379581838 /nfs/dbraw/zinc/58/18/38/1379581838.db2.gz GKFMNLWSHPUIEP-GOSISDBHSA-N 1 3 343.515 2.888 20 0 EFADHO COc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C)c1 ZINC001422132586 1379661396 /nfs/dbraw/zinc/66/13/96/1379661396.db2.gz TWIODMBDQPRTCA-SJLPKXTDSA-N 1 3 347.503 2.506 20 0 EFADHO C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCN1Cc1cccc(F)c1 ZINC001422134184 1379666183 /nfs/dbraw/zinc/66/61/83/1379666183.db2.gz VOOHOFYWRMKOIL-MAUKXSAKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]CC1CCCCC1 ZINC001422137475 1379671076 /nfs/dbraw/zinc/67/10/76/1379671076.db2.gz VTBSVDJMJGWICM-ROUUACIJSA-N 1 3 325.541 2.883 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C)N(C)C ZINC001422137470 1379671788 /nfs/dbraw/zinc/67/17/88/1379671788.db2.gz VTBSVDJMJGWICM-QZTJIDSGSA-N 1 3 325.541 2.883 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCc2c1cccc2F ZINC001422151913 1379691302 /nfs/dbraw/zinc/69/13/02/1379691302.db2.gz LVBAIVZAPRDVTL-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO CCc1ccccc1C[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001422169895 1379718062 /nfs/dbraw/zinc/71/80/62/1379718062.db2.gz UXXLWINFCROHAW-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001422169895 1379718072 /nfs/dbraw/zinc/71/80/72/1379718072.db2.gz UXXLWINFCROHAW-UHFFFAOYSA-N 1 3 331.504 2.624 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422236742 1379831318 /nfs/dbraw/zinc/83/13/18/1379831318.db2.gz MKOAEZNQEQYYLQ-RDTXWAMCSA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422236742 1379831322 /nfs/dbraw/zinc/83/13/22/1379831322.db2.gz MKOAEZNQEQYYLQ-RDTXWAMCSA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422236726 1379831477 /nfs/dbraw/zinc/83/14/77/1379831477.db2.gz MKOAEZNQEQYYLQ-KBXCAEBGSA-N 1 3 349.906 2.669 20 0 EFADHO CN(CCN(C)[C@@H]1CCc2c1cccc2Cl)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422236726 1379831481 /nfs/dbraw/zinc/83/14/81/1379831481.db2.gz MKOAEZNQEQYYLQ-KBXCAEBGSA-N 1 3 349.906 2.669 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)C/C=C\c1ccccc1 ZINC001422256779 1379870751 /nfs/dbraw/zinc/87/07/51/1379870751.db2.gz RCZXYYTYTXWTGQ-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C\c1ccccc1 ZINC001422256779 1379870754 /nfs/dbraw/zinc/87/07/54/1379870754.db2.gz RCZXYYTYTXWTGQ-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)CNC(=O)C2(N(C)C)CCC2)c(C)c1 ZINC001438498200 1388641006 /nfs/dbraw/zinc/64/10/06/1388641006.db2.gz MDISAXNDCCDVPV-INIZCTEOSA-N 1 3 345.531 2.938 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCc2ccccc21 ZINC001438496235 1388641033 /nfs/dbraw/zinc/64/10/33/1388641033.db2.gz DTDXTFYTCORWOJ-APWZRJJASA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]Cc1cc2ccccc2o1 ZINC001438496247 1388641188 /nfs/dbraw/zinc/64/11/88/1388641188.db2.gz DXOHNDMVUBRAOX-OAHLLOKOSA-N 1 3 343.471 2.759 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@H](C)c1cccc(C)c1 ZINC001422449841 1380120536 /nfs/dbraw/zinc/12/05/36/1380120536.db2.gz URGSCOCHZWCSPW-HUUCEWRRSA-N 1 3 328.460 2.815 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001422449836 1380120699 /nfs/dbraw/zinc/12/06/99/1380120699.db2.gz URGSCOCHZWCSPW-CABCVRRESA-N 1 3 328.460 2.815 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)CN1CC[C@H](C)C1 ZINC001422460510 1380140954 /nfs/dbraw/zinc/14/09/54/1380140954.db2.gz MTSMIUYXGRESEX-ROUUACIJSA-N 1 3 331.504 2.836 20 0 EFADHO C[NH+]1CCC(NCc2ccc(OCCn3ccnc3)c(Cl)c2)CC1 ZINC001422515472 1380234987 /nfs/dbraw/zinc/23/49/87/1380234987.db2.gz LVDZKKCEORZBRF-UHFFFAOYSA-N 1 3 348.878 2.799 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422516629 1380236800 /nfs/dbraw/zinc/23/68/00/1380236800.db2.gz ACOYHRXEAHPZTN-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001422516629 1380236801 /nfs/dbraw/zinc/23/68/01/1380236801.db2.gz ACOYHRXEAHPZTN-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@@H](C)c1cccc(F)c1 ZINC001422525631 1380254136 /nfs/dbraw/zinc/25/41/36/1380254136.db2.gz FPXZKOHIJRXNRP-HOTGVXAUSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422557154 1380316706 /nfs/dbraw/zinc/31/67/06/1380316706.db2.gz AYLXBGCFMMXCBA-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001422557154 1380316710 /nfs/dbraw/zinc/31/67/10/1380316710.db2.gz AYLXBGCFMMXCBA-IEBWSBKVSA-N 1 3 333.520 2.826 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001422743204 1380745076 /nfs/dbraw/zinc/74/50/76/1380745076.db2.gz DULUTMPRWHFVBC-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001422743204 1380745079 /nfs/dbraw/zinc/74/50/79/1380745079.db2.gz DULUTMPRWHFVBC-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422819709 1380855066 /nfs/dbraw/zinc/85/50/66/1380855066.db2.gz DMJBXQXYBIXSEZ-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCc3ccccc3Cl)CCCC2)C1 ZINC001438610944 1388697293 /nfs/dbraw/zinc/69/72/93/1388697293.db2.gz GHNOUICITRMKEX-MRXNPFEDSA-N 1 3 349.906 2.810 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCc3ccccc3Cl)CCCC2)C1 ZINC001438610944 1388697296 /nfs/dbraw/zinc/69/72/96/1388697296.db2.gz GHNOUICITRMKEX-MRXNPFEDSA-N 1 3 349.906 2.810 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001422995714 1381177986 /nfs/dbraw/zinc/17/79/86/1381177986.db2.gz PSNZDFKVIWYUTG-MOPGFXCFSA-N 1 3 349.494 2.739 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C)c(C)c1)C1CC1)N(C)C ZINC001422998931 1381183878 /nfs/dbraw/zinc/18/38/78/1381183878.db2.gz WEYHEJUWIOUPNX-PMACEKPBSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C1CC1)N(C)C ZINC001423019084 1381218812 /nfs/dbraw/zinc/21/88/12/1381218812.db2.gz JFTDLCMOUMKQJH-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO COc1ccc(C)cc1CN[C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001423100515 1381347005 /nfs/dbraw/zinc/34/70/05/1381347005.db2.gz CXHRYDIPKUIJHB-VQIMIIECSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CN(C)C(=O)CN1CCC(C)CC1 ZINC001423134793 1381411306 /nfs/dbraw/zinc/41/13/06/1381411306.db2.gz OBTFVAITQISDOG-QGZVFWFLSA-N 1 3 349.494 2.803 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)c(C)c1 ZINC001423274594 1381734213 /nfs/dbraw/zinc/73/42/13/1381734213.db2.gz OFEPLEJONLBPSM-GOSISDBHSA-N 1 3 331.504 2.628 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccccc3C3CC3)CC2)C1 ZINC001423283093 1381742973 /nfs/dbraw/zinc/74/29/73/1381742973.db2.gz WIJPXJXBDUPSIV-INIZCTEOSA-N 1 3 341.499 2.644 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)sc2C)[C@@H]1C ZINC001423324019 1381784047 /nfs/dbraw/zinc/78/40/47/1381784047.db2.gz HHOMYZFOKUSGAA-WMLDXEAASA-N 1 3 337.533 2.786 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001438707138 1388752050 /nfs/dbraw/zinc/75/20/50/1388752050.db2.gz SHJSXBMPILLICW-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO Cn1cnc2cc(C[NH2+]C3CCC(C)(N4CCOCC4)CC3)ccc21 ZINC001423442843 1381948761 /nfs/dbraw/zinc/94/87/61/1381948761.db2.gz YVBOLRFCLWPFPB-UHFFFAOYSA-N 1 3 342.487 2.696 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1C ZINC001423491822 1381982443 /nfs/dbraw/zinc/98/24/43/1381982443.db2.gz QZXRSQNHXIGCLK-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H](CC)N(C)C)C1 ZINC001423681637 1382278297 /nfs/dbraw/zinc/27/82/97/1382278297.db2.gz IQAVUXCXNUSVFR-ACBHZAAOSA-N 1 3 331.504 2.668 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CC(F)(F)C2)C1 ZINC001438772041 1388801028 /nfs/dbraw/zinc/80/10/28/1388801028.db2.gz QCVJDSJFFWPEJU-GOEBONIOSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001438776571 1388805892 /nfs/dbraw/zinc/80/58/92/1388805892.db2.gz QNXCFCUKXBTBQH-OSZGCLPASA-N 1 3 329.916 2.543 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(C/C=C/Cl)CC1 ZINC001424284893 1382917795 /nfs/dbraw/zinc/91/77/95/1382917795.db2.gz YLGDOKFJZLWKMJ-DXWDOBMASA-N 1 3 327.900 2.586 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@@H+](CCC2CC2)C3)C1 ZINC001424444380 1383024823 /nfs/dbraw/zinc/02/48/23/1383024823.db2.gz UGTLTPSVAYMIFT-INIZCTEOSA-N 1 3 341.499 2.760 20 0 EFADHO C[C@H]1CCN(CC(=O)NCc2ccc3c(c2)C[N@H+](CCC2CC2)C3)C1 ZINC001424444380 1383024829 /nfs/dbraw/zinc/02/48/29/1383024829.db2.gz UGTLTPSVAYMIFT-INIZCTEOSA-N 1 3 341.499 2.760 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F)N(C)C ZINC001424573603 1383128359 /nfs/dbraw/zinc/12/83/59/1383128359.db2.gz YVCJKXNRLNJHTO-JVPBZIDWSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1)N(C)C ZINC001424597487 1383202889 /nfs/dbraw/zinc/20/28/89/1383202889.db2.gz YTJKFXZKCWABPY-DCGLDWPTSA-N 1 3 341.446 2.850 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]Cc2ccccn2)CC1)N(C)C ZINC001424870259 1383445407 /nfs/dbraw/zinc/44/54/07/1383445407.db2.gz YNTRXOSNESHXPG-KVZIAJEVSA-N 1 3 346.519 2.527 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)NC/C=C/Cl ZINC001425599123 1383706807 /nfs/dbraw/zinc/70/68/07/1383706807.db2.gz AVBFPGUSUKKRAT-SHQCLWGWSA-N 1 3 329.916 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001425683146 1383758706 /nfs/dbraw/zinc/75/87/06/1383758706.db2.gz POUFEKWJCAAVCF-WMLDXEAASA-N 1 3 339.911 2.863 20 0 EFADHO CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C ZINC001425685969 1383763190 /nfs/dbraw/zinc/76/31/90/1383763190.db2.gz WKMPYOIBJKDJON-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C[C@@H]1C ZINC001425904645 1383841884 /nfs/dbraw/zinc/84/18/84/1383841884.db2.gz DYZNWLMRZCJKFJ-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@@H]1C ZINC001425907677 1383844567 /nfs/dbraw/zinc/84/45/67/1383844567.db2.gz XJZDCWMXZLPGIG-MAUKXSAKSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCc2ccccc2CC)C[C@@H]1C ZINC001425915800 1383851655 /nfs/dbraw/zinc/85/16/55/1383851655.db2.gz NQIQUORMXQQYPV-PXNSSMCTSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCCN1CCc1ccccc1F ZINC001425937509 1383875684 /nfs/dbraw/zinc/87/56/84/1383875684.db2.gz XJHCDJKDQSBVJR-APWZRJJASA-N 1 3 349.494 2.679 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001425951995 1383893310 /nfs/dbraw/zinc/89/33/10/1383893310.db2.gz JEQXWRFJDFPLRB-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001438881524 1388886916 /nfs/dbraw/zinc/88/69/16/1388886916.db2.gz FXSYGRQPRPVXCV-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)CCN(C)C(=O)CN(C)C1CCC1 ZINC001438881524 1388886922 /nfs/dbraw/zinc/88/69/22/1388886922.db2.gz FXSYGRQPRPVXCV-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)cc1C ZINC001438889437 1388891444 /nfs/dbraw/zinc/89/14/44/1388891444.db2.gz FAGAKJVECPXPCU-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCCCN2C)cc1C ZINC001438889437 1388891454 /nfs/dbraw/zinc/89/14/54/1388891454.db2.gz FAGAKJVECPXPCU-LJQANCHMSA-N 1 3 331.504 2.678 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]Cc2cccc(F)c2)C1)CC(C)(C)C ZINC001426219544 1384079809 /nfs/dbraw/zinc/07/98/09/1384079809.db2.gz RZPWEHBVFHMADV-UHFFFAOYSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001426223052 1384082582 /nfs/dbraw/zinc/08/25/82/1384082582.db2.gz GLWCFPNCLYIOHI-ACBHZAAOSA-N 1 3 331.504 2.723 20 0 EFADHO CC(C)[C@@H](C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1F)N(C)C ZINC001426256418 1384098965 /nfs/dbraw/zinc/09/89/65/1384098965.db2.gz XRBORSJXGQPEJU-IBGZPJMESA-N 1 3 349.494 2.918 20 0 EFADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCN(C)Cc2ccc(Cl)cc2)C1 ZINC001438917494 1388915494 /nfs/dbraw/zinc/91/54/94/1388915494.db2.gz LUDDBIBQHNNQNM-HNNXBMFYSA-N 1 3 337.895 2.572 20 0 EFADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCN(C)Cc2ccc(Cl)cc2)C1 ZINC001438917494 1388915505 /nfs/dbraw/zinc/91/55/05/1388915505.db2.gz LUDDBIBQHNNQNM-HNNXBMFYSA-N 1 3 337.895 2.572 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001426724171 1384520023 /nfs/dbraw/zinc/52/00/23/1384520023.db2.gz PGZKCRJKZBXJKG-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001426871237 1384606417 /nfs/dbraw/zinc/60/64/17/1384606417.db2.gz MQQVIPAJEZLWET-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CCC)[C@H]1CCN(C)C1 ZINC001426871237 1384606424 /nfs/dbraw/zinc/60/64/24/1384606424.db2.gz MQQVIPAJEZLWET-ROUUACIJSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438938075 1388938419 /nfs/dbraw/zinc/93/84/19/1388938419.db2.gz MMHSSKFIDAVHGT-HOCLYGCPSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438938075 1388938422 /nfs/dbraw/zinc/93/84/22/1388938422.db2.gz MMHSSKFIDAVHGT-HOCLYGCPSA-N 1 3 337.895 2.743 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001438961292 1388954462 /nfs/dbraw/zinc/95/44/62/1388954462.db2.gz LQQDPTHSFICPPB-DOOVCASASA-N 1 3 336.307 2.522 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)C1(N(C)C)CCC1 ZINC001439074771 1388980410 /nfs/dbraw/zinc/98/04/10/1388980410.db2.gz UTKVPTMALYGXNB-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[N@H+](C)C[C@@H](O)CN(CCc1ccc(OC)cc1)CC(C)(C)C ZINC001434459393 1387161544 /nfs/dbraw/zinc/16/15/44/1387161544.db2.gz ZYWDSFPCLQEZHV-GOSISDBHSA-N 1 3 336.520 2.898 20 0 EFADHO CC[N@@H+](C)C[C@@H](O)CN(CCc1ccc(OC)cc1)CC(C)(C)C ZINC001434459393 1387161551 /nfs/dbraw/zinc/16/15/51/1387161551.db2.gz ZYWDSFPCLQEZHV-GOSISDBHSA-N 1 3 336.520 2.898 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)CN(C)C1CCC1 ZINC001439118499 1389000173 /nfs/dbraw/zinc/00/01/73/1389000173.db2.gz FPCTZNSNTAXLOZ-CVEARBPZSA-N 1 3 343.515 2.815 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1 ZINC001439257404 1389076919 /nfs/dbraw/zinc/07/69/19/1389076919.db2.gz ZBIKVASIFRKCCL-KRWDZBQOSA-N 1 3 333.520 2.876 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001439274536 1389088942 /nfs/dbraw/zinc/08/89/42/1389088942.db2.gz NVROHGUDHWVGAF-INIZCTEOSA-N 1 3 327.472 2.776 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001439373681 1389205135 /nfs/dbraw/zinc/20/51/35/1389205135.db2.gz UYLCXLHCQVTTEK-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001439387879 1389224317 /nfs/dbraw/zinc/22/43/17/1389224317.db2.gz OXBQRZRSZGDDLX-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN(C)Cc1cc(C)sc1C ZINC001439387879 1389224321 /nfs/dbraw/zinc/22/43/21/1389224321.db2.gz OXBQRZRSZGDDLX-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(C)CCC[N@H+](CCCF)C2)c1 ZINC001439947847 1389365931 /nfs/dbraw/zinc/36/59/31/1389365931.db2.gz IVYYPIPYOYMWFL-HXUWFJFHSA-N 1 3 349.494 2.940 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCF)C2)c1 ZINC001439947847 1389365939 /nfs/dbraw/zinc/36/59/39/1389365939.db2.gz IVYYPIPYOYMWFL-HXUWFJFHSA-N 1 3 349.494 2.940 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001440217078 1389445997 /nfs/dbraw/zinc/44/59/97/1389445997.db2.gz FVWZWTHMRJNRQJ-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C1CC1 ZINC001440254483 1389478905 /nfs/dbraw/zinc/47/89/05/1389478905.db2.gz QHNGUSHFRCQLSS-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CCN1Cc1ccccc1C1CC1 ZINC001440254483 1389478908 /nfs/dbraw/zinc/47/89/08/1389478908.db2.gz QHNGUSHFRCQLSS-IBGZPJMESA-N 1 3 343.515 2.939 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001506867451 1406380814 /nfs/dbraw/zinc/38/08/14/1406380814.db2.gz WZSDJUIOHQZSJB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](CCCC1CCC1)C2 ZINC001506867451 1406380823 /nfs/dbraw/zinc/38/08/23/1406380823.db2.gz WZSDJUIOHQZSJB-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CC2CCC(F)(F)CC2)CCC1)N(C)C ZINC001440314119 1389526596 /nfs/dbraw/zinc/52/65/96/1389526596.db2.gz SYWMTBUTBXBUCD-OAHLLOKOSA-N 1 3 345.478 2.781 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001440324629 1389536173 /nfs/dbraw/zinc/53/61/73/1389536173.db2.gz WNDZJKPFJMRGHM-WOVMCDHWSA-N 1 3 337.895 2.666 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001440353002 1389558090 /nfs/dbraw/zinc/55/80/90/1389558090.db2.gz FEEGKSDZSCJGSH-JCNLHEQBSA-N 1 3 349.494 2.788 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001440362479 1389567275 /nfs/dbraw/zinc/56/72/75/1389567275.db2.gz COBZPECLGUVLAS-ATNYBXOESA-N 1 3 335.467 2.711 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001440362568 1389567283 /nfs/dbraw/zinc/56/72/83/1389567283.db2.gz FCHHNJISINZNOE-FHWLQOOXSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001440385866 1389583405 /nfs/dbraw/zinc/58/34/05/1389583405.db2.gz HVZZPEBIXQBYCU-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3(N(C)C)CCC3)CC2)cc1 ZINC001440385866 1389583408 /nfs/dbraw/zinc/58/34/08/1389583408.db2.gz HVZZPEBIXQBYCU-LJQANCHMSA-N 1 3 343.515 2.950 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccc1F ZINC001440422198 1389619523 /nfs/dbraw/zinc/61/95/23/1389619523.db2.gz PORHBJGKJSTPKH-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccc1F ZINC001440422198 1389619529 /nfs/dbraw/zinc/61/95/29/1389619529.db2.gz PORHBJGKJSTPKH-AEFFLSMTSA-N 1 3 349.494 2.884 20 0 EFADHO CN(CCC[N@H+](C)CC/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001440425940 1389623580 /nfs/dbraw/zinc/62/35/80/1389623580.db2.gz JGSPSRROHXQZDO-SJAUKRLSSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)CC/C=C\c1ccccc1)C(=O)[C@@H]1CCCN1C ZINC001440425940 1389623584 /nfs/dbraw/zinc/62/35/84/1389623584.db2.gz JGSPSRROHXQZDO-SJAUKRLSSA-N 1 3 343.515 2.964 20 0 EFADHO Cc1cc(C)c(C[N@@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001440468652 1389671966 /nfs/dbraw/zinc/67/19/66/1389671966.db2.gz GCRJDHILARJGDW-UHFFFAOYSA-N 1 3 342.487 2.858 20 0 EFADHO Cc1cc(C)c(C[N@H+](C)CCCN(C)C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001440468652 1389671970 /nfs/dbraw/zinc/67/19/70/1389671970.db2.gz GCRJDHILARJGDW-UHFFFAOYSA-N 1 3 342.487 2.858 20 0 EFADHO CN(C)[C@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)c1ccccc1 ZINC001440587243 1389761092 /nfs/dbraw/zinc/76/10/92/1389761092.db2.gz NOBAJPYQGXDEGL-LJQANCHMSA-N 1 3 329.488 2.670 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001440647229 1389796160 /nfs/dbraw/zinc/79/61/60/1389796160.db2.gz KCFAGRJUHSKODR-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001440647229 1389796162 /nfs/dbraw/zinc/79/61/62/1389796162.db2.gz KCFAGRJUHSKODR-AEFFLSMTSA-N 1 3 347.503 2.506 20 0 EFADHO Cc1cc(F)ccc1CN(C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001440729960 1389850014 /nfs/dbraw/zinc/85/00/14/1389850014.db2.gz DSPJZQBWRURYND-LJQANCHMSA-N 1 3 349.494 2.899 20 0 EFADHO CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751462 1389868769 /nfs/dbraw/zinc/86/87/69/1389868769.db2.gz WGQXYFQFHPJCMG-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001440751462 1389868777 /nfs/dbraw/zinc/86/87/77/1389868777.db2.gz WGQXYFQFHPJCMG-MSOLQXFVSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930809 1390019155 /nfs/dbraw/zinc/01/91/55/1390019155.db2.gz CLWJCFCXQZBFSM-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001440930809 1390019160 /nfs/dbraw/zinc/01/91/60/1390019160.db2.gz CLWJCFCXQZBFSM-DLBZAZTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N(C)[C@@H](C)c1ccc(F)cc1 ZINC001440955032 1390044191 /nfs/dbraw/zinc/04/41/91/1390044191.db2.gz LNSFQZWUDMXRSC-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001440990784 1391009551 /nfs/dbraw/zinc/00/95/51/1391009551.db2.gz IRJAVQVYJFRDFU-QAPCUYQASA-N 1 3 332.492 2.892 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](C)N(C)Cc2ccc(F)cc2)CC1 ZINC001440997712 1391019567 /nfs/dbraw/zinc/01/95/67/1391019567.db2.gz VFYXBNKUZNRJRZ-INIZCTEOSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001441383323 1391275111 /nfs/dbraw/zinc/27/51/11/1391275111.db2.gz HSFHSZLJKOIAMQ-ZHALLVOQSA-N 1 3 329.488 2.859 20 0 EFADHO CN(C)C1(C(=O)N(C)[C@@H](C[NH2+]Cc2cccc(F)c2)C2CC2)CCC1 ZINC001441438900 1391307124 /nfs/dbraw/zinc/30/71/24/1391307124.db2.gz ZGJXLAFNIAHUDF-SFHVURJKSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCc1ccccc1 ZINC001441521255 1391349243 /nfs/dbraw/zinc/34/92/43/1391349243.db2.gz GGPCWRFAIYXMBM-SFHVURJKSA-N 1 3 345.531 2.930 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001441577128 1391371711 /nfs/dbraw/zinc/37/17/11/1391371711.db2.gz ACWJROPHQXRGGG-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC001441577128 1391371715 /nfs/dbraw/zinc/37/17/15/1391371715.db2.gz ACWJROPHQXRGGG-HXUWFJFHSA-N 1 3 345.531 2.973 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001441586075 1391377664 /nfs/dbraw/zinc/37/76/64/1391377664.db2.gz OTOWWLKEZFZVLZ-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CCc2ccc(C)cc2)C1)N(C)C ZINC001441586075 1391377668 /nfs/dbraw/zinc/37/76/68/1391377668.db2.gz OTOWWLKEZFZVLZ-UXHICEINSA-N 1 3 345.531 2.706 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1)N(C)C ZINC001441591183 1391380138 /nfs/dbraw/zinc/38/01/38/1391380138.db2.gz WGEUKSONDDOJHS-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1)N(C)C ZINC001441591183 1391380143 /nfs/dbraw/zinc/38/01/43/1391380143.db2.gz WGEUKSONDDOJHS-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001444313146 1391470251 /nfs/dbraw/zinc/47/02/51/1391470251.db2.gz ZAEJFIVUESVKOX-AADQSZMKSA-N 1 3 336.307 2.520 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)CNC/C(Cl)=C\Cl ZINC001444313146 1391470253 /nfs/dbraw/zinc/47/02/53/1391470253.db2.gz ZAEJFIVUESVKOX-AADQSZMKSA-N 1 3 336.307 2.520 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccc1F ZINC001444820624 1391510852 /nfs/dbraw/zinc/51/08/52/1391510852.db2.gz DKVPARNPLBDUCY-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccc1F ZINC001444820624 1391510853 /nfs/dbraw/zinc/51/08/53/1391510853.db2.gz DKVPARNPLBDUCY-APWZRJJASA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CN(C)Cc1cc2ccccc2o1)NC(=O)C1CC[NH+](C)CC1 ZINC001445793789 1391541508 /nfs/dbraw/zinc/54/15/08/1391541508.db2.gz GIZUQQWXKXGKBN-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)C2(N(C)C)CCC2)CCC1 ZINC001447203085 1391698515 /nfs/dbraw/zinc/69/85/15/1391698515.db2.gz YNEXYSNCCRGJMB-UHFFFAOYSA-N 1 3 347.478 2.747 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cccnc1C ZINC001448278686 1392077086 /nfs/dbraw/zinc/07/70/86/1392077086.db2.gz LMNKJEACZDLPOK-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCCCN1Cc1cccnc1C ZINC001448278686 1392077090 /nfs/dbraw/zinc/07/70/90/1392077090.db2.gz LMNKJEACZDLPOK-LJQANCHMSA-N 1 3 346.519 2.593 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001448603072 1392095749 /nfs/dbraw/zinc/09/57/49/1392095749.db2.gz JUTSXLBLINKQCU-GOSISDBHSA-N 1 3 332.492 2.749 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C[NH2+]Cc1cc(F)ccc1C)C1CC1)N(C)C ZINC001448606000 1392099601 /nfs/dbraw/zinc/09/96/01/1392099601.db2.gz PEYQFOPSOBWXTA-RBUKOAKNSA-N 1 3 349.494 2.801 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001448672040 1392159409 /nfs/dbraw/zinc/15/94/09/1392159409.db2.gz CZFFALIQTXTXNE-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCCCC3)C2)CCC1 ZINC001449065776 1392247516 /nfs/dbraw/zinc/24/75/16/1392247516.db2.gz YGQJUEHBSIWRNO-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001507085420 1406681478 /nfs/dbraw/zinc/68/14/78/1406681478.db2.gz NAKNYCBWGVYHDG-AHSCJQSNSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001507089231 1406686546 /nfs/dbraw/zinc/68/65/46/1406686546.db2.gz LURZWMUHLDABNU-VQIMIIECSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001456545423 1394711916 /nfs/dbraw/zinc/71/19/16/1394711916.db2.gz CADSXGXIFLGAPM-UYAOXDASSA-N 1 3 343.515 2.982 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC001456545423 1394711926 /nfs/dbraw/zinc/71/19/26/1394711926.db2.gz CADSXGXIFLGAPM-UYAOXDASSA-N 1 3 343.515 2.982 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC001507150817 1406773360 /nfs/dbraw/zinc/77/33/60/1406773360.db2.gz CWCHDRXDQIHIQJ-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100336 1396289398 /nfs/dbraw/zinc/28/93/98/1396289398.db2.gz HQMGRYNEXFTPTM-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC001461100336 1396289402 /nfs/dbraw/zinc/28/94/02/1396289402.db2.gz HQMGRYNEXFTPTM-KGLIPLIRSA-N 1 3 349.466 2.856 20 0 EFADHO CN(C)CCC[N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462206837 1396427466 /nfs/dbraw/zinc/42/74/66/1396427466.db2.gz OFZLENHRINPOPS-LBPRGKRZSA-N 1 3 341.418 2.716 20 0 EFADHO CN(C)CCC[N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C ZINC001462206837 1396427469 /nfs/dbraw/zinc/42/74/69/1396427469.db2.gz OFZLENHRINPOPS-LBPRGKRZSA-N 1 3 341.418 2.716 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915467 1396722852 /nfs/dbraw/zinc/72/28/52/1396722852.db2.gz HSMYFTDCZMWOLL-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001465915467 1396722857 /nfs/dbraw/zinc/72/28/57/1396722857.db2.gz HSMYFTDCZMWOLL-YZGWKJHDSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@H]1C ZINC001507291914 1406856975 /nfs/dbraw/zinc/85/69/75/1406856975.db2.gz GCBODJGXOUBUEK-QAPCUYQASA-N 1 3 335.467 2.577 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470599249 1397101781 /nfs/dbraw/zinc/10/17/81/1397101781.db2.gz QEBQRHNKDYBNEU-LJQANCHMSA-N 1 3 338.455 2.738 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001470599249 1397101787 /nfs/dbraw/zinc/10/17/87/1397101787.db2.gz QEBQRHNKDYBNEU-LJQANCHMSA-N 1 3 338.455 2.738 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNCc2c[nH]c(C(=O)OC)c2)cc1 ZINC001473915932 1397350785 /nfs/dbraw/zinc/35/07/85/1397350785.db2.gz LWWVNEZMTWLOLY-UHFFFAOYSA-N 1 3 329.444 2.933 20 0 EFADHO CN1CCN(Cc2cccc(C[NH2+]Cc3cccc4c[nH]nc43)c2)CC1 ZINC001473976440 1397358940 /nfs/dbraw/zinc/35/89/40/1397358940.db2.gz QHYJGFVZJGSUHV-UHFFFAOYSA-N 1 3 349.482 2.600 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001479322583 1397684843 /nfs/dbraw/zinc/68/48/43/1397684843.db2.gz VSEUGJDYVNRZEM-YSGRDPCXSA-N 1 3 343.515 2.630 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CC3CCCCCC3)C2)CCC1 ZINC001479371960 1397706597 /nfs/dbraw/zinc/70/65/97/1397706597.db2.gz ZYCLXKZCGATVFC-IYARVYRRSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001479410123 1397718711 /nfs/dbraw/zinc/71/87/11/1397718711.db2.gz BJJMZLMIQFUFNE-VDHUWJSZSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC001479410792 1397718758 /nfs/dbraw/zinc/71/87/58/1397718758.db2.gz LTBDWMHUQYVYCP-SAABIXHNSA-N 1 3 340.471 2.562 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001479410120 1397718798 /nfs/dbraw/zinc/71/87/98/1397718798.db2.gz BJJMZLMIQFUFNE-BZZMCLGOSA-N 1 3 346.519 2.961 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(F)(F)F ZINC001479833468 1397927896 /nfs/dbraw/zinc/92/78/96/1397927896.db2.gz JNIWRRBNQCIKMD-KBPBESRZSA-N 1 3 337.430 2.640 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2Cl)C1 ZINC001480154305 1398130127 /nfs/dbraw/zinc/13/01/27/1398130127.db2.gz GLNFNVIYUGIATR-SHTZXODSSA-N 1 3 341.858 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC001480168714 1398139205 /nfs/dbraw/zinc/13/92/05/1398139205.db2.gz VYMQOJXIXMKDQF-KBRIMQKVSA-N 1 3 337.895 2.980 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001480573516 1398217102 /nfs/dbraw/zinc/21/71/02/1398217102.db2.gz IIQOTWSJFLPLTI-BBRMVZONSA-N 1 3 325.884 2.583 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001480576199 1398220123 /nfs/dbraw/zinc/22/01/23/1398220123.db2.gz ABOZYAUEAUBYLA-CXAGYDPISA-N 1 3 337.895 2.763 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1)CC(C)(C)C ZINC001480665850 1398271370 /nfs/dbraw/zinc/27/13/70/1398271370.db2.gz PLQQFFHCBGOQTR-KRWDZBQOSA-N 1 3 349.494 2.742 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001493256586 1398568303 /nfs/dbraw/zinc/56/83/03/1398568303.db2.gz NEJXIJXPVOMUTF-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1 ZINC001493256586 1398568308 /nfs/dbraw/zinc/56/83/08/1398568308.db2.gz NEJXIJXPVOMUTF-SFHVURJKSA-N 1 3 337.552 2.983 20 0 EFADHO CCC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(F)c1 ZINC001493296971 1398594219 /nfs/dbraw/zinc/59/42/19/1398594219.db2.gz IWXXLTOHJDPMLC-UHFFFAOYSA-N 1 3 335.467 2.638 20 0 EFADHO CCC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1cccc(F)c1 ZINC001493296971 1398594222 /nfs/dbraw/zinc/59/42/22/1398594222.db2.gz IWXXLTOHJDPMLC-UHFFFAOYSA-N 1 3 335.467 2.638 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1C1CC1)C1CC1 ZINC001493357185 1398638884 /nfs/dbraw/zinc/63/88/84/1398638884.db2.gz PJOUNSAXCWJNNW-FQEVSTJZSA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1C1CC1)C1CC1 ZINC001493357185 1398638887 /nfs/dbraw/zinc/63/88/87/1398638887.db2.gz PJOUNSAXCWJNNW-FQEVSTJZSA-N 1 3 341.499 2.739 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1)N(C)C ZINC001493699287 1398817059 /nfs/dbraw/zinc/81/70/59/1398817059.db2.gz LYJZYXXNULKKSB-HNNXBMFYSA-N 1 3 346.302 2.882 20 0 EFADHO C[C@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001494558324 1399377766 /nfs/dbraw/zinc/37/77/66/1399377766.db2.gz CXVHCFSBAPXIPN-DLBZAZTESA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C)c(C[NH+]2CC(CNC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC001494593069 1399393081 /nfs/dbraw/zinc/39/30/81/1399393081.db2.gz GZDXKNXLEHOZFK-HNNXBMFYSA-N 1 3 343.515 2.502 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001507414337 1407027945 /nfs/dbraw/zinc/02/79/45/1407027945.db2.gz FLFNUMUUNSIMCS-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C/Cl)C1 ZINC001507414337 1407027947 /nfs/dbraw/zinc/02/79/47/1407027947.db2.gz FLFNUMUUNSIMCS-XWJOTYRJSA-N 1 3 336.307 2.522 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001507418479 1407032855 /nfs/dbraw/zinc/03/28/55/1407032855.db2.gz GCPMWYJSTPPLQB-RDJZCZTQSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@H]1CCCc2ccccc21 ZINC001495098217 1399662756 /nfs/dbraw/zinc/66/27/56/1399662756.db2.gz YQXZBZSCHPJGBN-MJGOQNOKSA-N 1 3 331.504 2.890 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(C)c(F)c2)CCCC1 ZINC001495204730 1399735336 /nfs/dbraw/zinc/73/53/36/1399735336.db2.gz DESITDNKJLNSAJ-UHFFFAOYSA-N 1 3 349.494 2.995 20 0 EFADHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1cccc(F)c1)C1CC1)N(C)C ZINC001495280719 1399789769 /nfs/dbraw/zinc/78/97/69/1399789769.db2.gz QDFVHTKSHJEWDY-HKUYNNGSSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001495348076 1399885147 /nfs/dbraw/zinc/88/51/47/1399885147.db2.gz VMJDJNXEQCNZKI-FUHWJXTLSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001495348077 1399886152 /nfs/dbraw/zinc/88/61/52/1399886152.db2.gz VMJDJNXEQCNZKI-SJLPKXTDSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CCc2ccccc2)CCCC1 ZINC001495959459 1400382161 /nfs/dbraw/zinc/38/21/61/1400382161.db2.gz NCBIDYHKSFIWNS-UHFFFAOYSA-N 1 3 340.471 2.522 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH]cn1 ZINC001496171923 1400516649 /nfs/dbraw/zinc/51/66/49/1400516649.db2.gz UKCBIEULJKTJHT-HNNXBMFYSA-N 1 3 328.460 2.712 20 0 EFADHO C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001496239857 1400564131 /nfs/dbraw/zinc/56/41/31/1400564131.db2.gz UWFILPYGZCTBSU-INIZCTEOSA-N 1 3 331.504 2.989 20 0 EFADHO CN(CC[N@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C ZINC001496679714 1400915259 /nfs/dbraw/zinc/91/52/59/1400915259.db2.gz MOAUPAQDPZVFOY-FQEVSTJZSA-N 1 3 339.483 2.824 20 0 EFADHO CN(CC[N@@H+](C)Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN1C ZINC001496679714 1400915263 /nfs/dbraw/zinc/91/52/63/1400915263.db2.gz MOAUPAQDPZVFOY-FQEVSTJZSA-N 1 3 339.483 2.824 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCc3ccc(F)cc32)CC[N@@H+]1C ZINC001496708428 1400933325 /nfs/dbraw/zinc/93/33/25/1400933325.db2.gz ZQDNUZZGXNPIIA-LSBZLQRGSA-N 1 3 347.478 2.543 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)CCN(C)[C@@H]2CCc3ccc(F)cc32)CC[N@H+]1C ZINC001496708428 1400933326 /nfs/dbraw/zinc/93/33/26/1400933326.db2.gz ZQDNUZZGXNPIIA-LSBZLQRGSA-N 1 3 347.478 2.543 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)CC2CC[NH+](C)CC2)cc1 ZINC001496791916 1400986732 /nfs/dbraw/zinc/98/67/32/1400986732.db2.gz CUIQJSMUFOXUOA-UHFFFAOYSA-N 1 3 331.504 2.617 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCN2C/C=C\Cl)C1 ZINC001496865187 1401060226 /nfs/dbraw/zinc/06/02/26/1401060226.db2.gz BUMBRYXYPFZXNZ-PHCRLAQASA-N 1 3 339.911 2.538 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C ZINC001496916155 1401101041 /nfs/dbraw/zinc/10/10/41/1401101041.db2.gz OYAJTDVIZMNEIY-VQIMIIECSA-N 1 3 349.494 2.850 20 0 EFADHO C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001497204348 1401218024 /nfs/dbraw/zinc/21/80/24/1401218024.db2.gz BWMYKAANICOZEW-HUUCEWRRSA-N 1 3 335.467 2.855 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001498119027 1401864486 /nfs/dbraw/zinc/86/44/86/1401864486.db2.gz XMQFCYVMNVXFGQ-LSDHHAIUSA-N 1 3 337.483 2.959 20 0 EFADHO C[C@@H](CNCc1ccccc1Cl)NC(=O)CC1CC[NH+](C)CC1 ZINC001498133615 1401871697 /nfs/dbraw/zinc/87/16/97/1401871697.db2.gz XTUYSNNGYUHBFP-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001498169159 1401887931 /nfs/dbraw/zinc/88/79/31/1401887931.db2.gz XLMGHWMTPHNWIK-ZDUSSCGKSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+]1CCCC1)c1ccccc1F ZINC001498196951 1401903753 /nfs/dbraw/zinc/90/37/53/1401903753.db2.gz CTLLQNMTSJQVDS-JKSUJKDBSA-N 1 3 335.467 2.857 20 0 EFADHO CC(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487161 1402140639 /nfs/dbraw/zinc/14/06/39/1402140639.db2.gz FGPJCBVENYGZAA-SJORKVTESA-N 1 3 325.541 2.885 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H](CNCc1ccccc1F)C(C)(C)C ZINC001508004066 1407239015 /nfs/dbraw/zinc/23/90/15/1407239015.db2.gz QXDQJMGAJKPTIE-QGZVFWFLSA-N 1 3 337.483 2.788 20 0 EFADHO C[C@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001498771604 1402279380 /nfs/dbraw/zinc/27/93/80/1402279380.db2.gz WNKZCLQJTUWXJS-LIRRHRJNSA-N 1 3 347.478 2.855 20 0 EFADHO C[C@@H]([NH2+]C[C@H](NC(=O)CN(C)C1CCC1)C1CC1)c1ccccc1F ZINC001498771603 1402279494 /nfs/dbraw/zinc/27/94/94/1402279494.db2.gz WNKZCLQJTUWXJS-KUHUBIRLSA-N 1 3 347.478 2.855 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1cccnc1)C(C)(C)C)CC(C)(C)C ZINC001508027440 1407247754 /nfs/dbraw/zinc/24/77/54/1407247754.db2.gz YNGHOTVVAPUORU-QGZVFWFLSA-N 1 3 348.535 2.680 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001498890974 1402363166 /nfs/dbraw/zinc/36/31/66/1402363166.db2.gz XTVQEUPLPOKXJR-HIFRSBDPSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cc(C)c(CN2CC[C@H]2CNC(=O)CCC[NH+](C)C)c(C)c1 ZINC001499047273 1402442191 /nfs/dbraw/zinc/44/21/91/1402442191.db2.gz DYRPMQMHSODOLY-SFHVURJKSA-N 1 3 331.504 2.644 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001499225859 1402527678 /nfs/dbraw/zinc/52/76/78/1402527678.db2.gz IXMWIMFTMISKNM-GOSISDBHSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001499225859 1402527681 /nfs/dbraw/zinc/52/76/81/1402527681.db2.gz IXMWIMFTMISKNM-GOSISDBHSA-N 1 3 347.478 2.745 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499225859 1402527685 /nfs/dbraw/zinc/52/76/85/1402527685.db2.gz IXMWIMFTMISKNM-GOSISDBHSA-N 1 3 347.478 2.745 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001499226801 1402528309 /nfs/dbraw/zinc/52/83/09/1402528309.db2.gz UICAVNZYPHFZNA-KRWDZBQOSA-N 1 3 349.906 2.951 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2CC)CC1 ZINC001499243599 1402535145 /nfs/dbraw/zinc/53/51/45/1402535145.db2.gz KDQWKKPPSYMXOS-LJQANCHMSA-N 1 3 343.515 2.862 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCCN3C(C)C)CC2)cc1 ZINC001499371729 1402587084 /nfs/dbraw/zinc/58/70/84/1402587084.db2.gz OPNVFYWQBNDJID-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO Cc1ccc(F)cc1CNC1(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001499458381 1402623466 /nfs/dbraw/zinc/62/34/66/1402623466.db2.gz DFIHKMSTKATSSP-UHFFFAOYSA-N 1 3 347.478 2.749 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@@H]1C ZINC001499851790 1402819085 /nfs/dbraw/zinc/81/90/85/1402819085.db2.gz BFNBVKJDMKGBCI-UJWMVZFISA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C\Cl)C[C@@H]1C ZINC001499851790 1402819092 /nfs/dbraw/zinc/81/90/92/1402819092.db2.gz BFNBVKJDMKGBCI-UJWMVZFISA-N 1 3 336.307 2.616 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001500006144 1402897569 /nfs/dbraw/zinc/89/75/69/1402897569.db2.gz PPZOLUOKHFBECA-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC1(NC(=O)CCC[NH+]2CCCC2)CCN(CCC(F)(F)F)CC1 ZINC001500012560 1402900841 /nfs/dbraw/zinc/90/08/41/1402900841.db2.gz GQTFNJHJVUDWHU-UHFFFAOYSA-N 1 3 349.441 2.786 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@]1(C)CCN(Cc2cc3ccccc3o2)C1 ZINC001500253256 1403009487 /nfs/dbraw/zinc/00/94/87/1403009487.db2.gz ATDXSFMWQMENQH-FQEVSTJZSA-N 1 3 343.471 2.855 20 0 EFADHO C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001501051371 1403421211 /nfs/dbraw/zinc/42/12/11/1403421211.db2.gz VLZWJUWPWFFPPF-OLZOCXBDSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2c(C)cccc2C)C1 ZINC001501082979 1403433348 /nfs/dbraw/zinc/43/33/48/1403433348.db2.gz CKBCFPDZKMOYKQ-RTBURBONSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)CN(C)CC(C)(C)C ZINC001501197576 1403488622 /nfs/dbraw/zinc/48/86/22/1403488622.db2.gz MDERSVZSOPICDY-UHFFFAOYSA-N 1 3 333.520 2.991 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001501425008 1403600853 /nfs/dbraw/zinc/60/08/53/1403600853.db2.gz QKMWFLCTGVDEPY-ZWKOTPCHSA-N 1 3 349.544 2.821 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3csc(C)c3)C[C@H]21 ZINC001501425008 1403600858 /nfs/dbraw/zinc/60/08/58/1403600858.db2.gz QKMWFLCTGVDEPY-ZWKOTPCHSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001501640457 1403661495 /nfs/dbraw/zinc/66/14/95/1403661495.db2.gz CKMZLTDTEXLLRH-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c(C)s1 ZINC001501962433 1403909026 /nfs/dbraw/zinc/90/90/26/1403909026.db2.gz XBQVFGGFPXUPPT-UHFFFAOYSA-N 1 3 349.544 2.978 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)CC2)CC1 ZINC001502135916 1404034162 /nfs/dbraw/zinc/03/41/62/1404034162.db2.gz UUVRXNMUHHFMLO-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001502375751 1404115705 /nfs/dbraw/zinc/11/57/05/1404115705.db2.gz SQNRQONMBBHGHC-ROUUACIJSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)CCCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001502375751 1404115707 /nfs/dbraw/zinc/11/57/07/1404115707.db2.gz SQNRQONMBBHGHC-ROUUACIJSA-N 1 3 331.504 2.870 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C(C)(C)C2)C1 ZINC001502829218 1404379383 /nfs/dbraw/zinc/37/93/83/1404379383.db2.gz QEZDIRIZXSVWNT-OFLPRAFFSA-N 1 3 335.536 2.734 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C(C)(C)C2)C1 ZINC001502829218 1404379393 /nfs/dbraw/zinc/37/93/93/1404379393.db2.gz QEZDIRIZXSVWNT-OFLPRAFFSA-N 1 3 335.536 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001503002751 1404455917 /nfs/dbraw/zinc/45/59/17/1404455917.db2.gz NANDAFBVXJUMJJ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(F)ccc2C)[C@@H](C)C1 ZINC001503002751 1404455918 /nfs/dbraw/zinc/45/59/18/1404455918.db2.gz NANDAFBVXJUMJJ-LPHOPBHVSA-N 1 3 349.494 2.945 20 0 EFADHO CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505408747 1404566257 /nfs/dbraw/zinc/56/62/57/1404566257.db2.gz PGSHUQCQIVRXTE-YJBOKZPZSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(Cl)s2)CC[N@@H+]1C ZINC001753190780 1426324520 /nfs/dbraw/zinc/32/45/20/1426324520.db2.gz KJKUDGUNLQVTKM-UONOGXRCSA-N 1 3 343.924 2.680 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N(C)CCNCc2ccc(Cl)s2)CC[N@H+]1C ZINC001753190780 1426324525 /nfs/dbraw/zinc/32/45/25/1426324525.db2.gz KJKUDGUNLQVTKM-UONOGXRCSA-N 1 3 343.924 2.680 20 0 EFADHO CCc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH]cn1 ZINC001505837525 1405127454 /nfs/dbraw/zinc/12/74/54/1405127454.db2.gz VCIZYRKBDQWXQU-UHFFFAOYSA-N 1 3 342.487 2.789 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1cccc(Cl)c1 ZINC001505935270 1405246203 /nfs/dbraw/zinc/24/62/03/1405246203.db2.gz DOWNTMVVLDKZEF-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1cccc(Cl)c1 ZINC001505935270 1405246207 /nfs/dbraw/zinc/24/62/07/1405246207.db2.gz DOWNTMVVLDKZEF-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935995 1405247902 /nfs/dbraw/zinc/24/79/02/1405247902.db2.gz SHOBVJGTDHNAMP-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001505935995 1405247906 /nfs/dbraw/zinc/24/79/06/1405247906.db2.gz SHOBVJGTDHNAMP-IAGOWNOFSA-N 1 3 331.504 2.977 20 0 EFADHO COc1cc(CN(C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)ccc1C ZINC001505939572 1405252785 /nfs/dbraw/zinc/25/27/85/1405252785.db2.gz KEZHXYDCPKPTIE-LPHOPBHVSA-N 1 3 349.519 2.526 20 0 EFADHO Cc1cc(CN(C)[C@H](C)CNC(=O)CCC[NH+](C)C)c(C)s1 ZINC001505991235 1405313557 /nfs/dbraw/zinc/31/35/57/1405313557.db2.gz OPSZOMFATOUQNP-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1C ZINC001506033190 1405379166 /nfs/dbraw/zinc/37/91/66/1405379166.db2.gz DVSQUELZCOREBL-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccc(Cl)cc1C ZINC001506033190 1405379175 /nfs/dbraw/zinc/37/91/75/1405379175.db2.gz DVSQUELZCOREBL-HNNXBMFYSA-N 1 3 339.911 2.927 20 0 EFADHO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CCN(CCC(C)C)CC1 ZINC001551225125 1413960716 /nfs/dbraw/zinc/96/07/16/1413960716.db2.gz CFUDOVOJMUZHBX-ICSRJNTNSA-N 1 3 348.535 2.967 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC001551238604 1413969722 /nfs/dbraw/zinc/96/97/22/1413969722.db2.gz NWXJGMVYWOLEHJ-UHFFFAOYSA-N 1 3 334.489 2.519 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC001551238436 1413969631 /nfs/dbraw/zinc/96/96/31/1413969631.db2.gz SWOFRYRECRAHJY-UHFFFAOYSA-N 1 3 329.444 2.951 20 0 EFADHO Cn1cc(-c2nc(CN3C[C@@H]4CC[C@@H]([NH+](C)C)C[C@H]4C3)cs2)cn1 ZINC001551262307 1413983664 /nfs/dbraw/zinc/98/36/64/1413983664.db2.gz QWJVBHWYRHXERD-GRDNDAEWSA-N 1 3 345.516 2.706 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@H]2CN(Cn3ccc(-c4nccs4)n3)C[C@H]2C1 ZINC001551380716 1414049726 /nfs/dbraw/zinc/04/97/26/1414049726.db2.gz FZIZFYVZSRKBSY-RRFJBIMHSA-N 1 3 331.489 2.626 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cccc(CO)c1 ZINC001551387546 1414053719 /nfs/dbraw/zinc/05/37/19/1414053719.db2.gz CAXMOUNTBBVMRN-DZIBYMRMSA-N 1 3 332.488 2.863 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001551387658 1414053817 /nfs/dbraw/zinc/05/38/17/1414053817.db2.gz OUXKQZBXVCVCJS-JENIJYKNSA-N 1 3 344.503 2.942 20 0 EFADHO C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn2c1CCCC2 ZINC001551398703 1414061257 /nfs/dbraw/zinc/06/12/57/1414061257.db2.gz JEPUHTSSJBDJCX-VXESANQCSA-N 1 3 346.519 2.904 20 0 EFADHO Cn1nccc1[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)C1 ZINC001551403191 1414064231 /nfs/dbraw/zinc/06/42/31/1414064231.db2.gz XFQGJWWYQIZMSV-BOHSKOPMSA-N 1 3 346.519 2.679 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552228959 1414381094 /nfs/dbraw/zinc/38/10/94/1414381094.db2.gz WUNKWNCQLRXEAE-MOPGFXCFSA-N 1 3 329.488 2.885 20 0 EFADHO CN1CCn2ncc(C[NH2+][C@@H]3C[C@H](OC(C)(C)C)C34CCC4)c2C1 ZINC001552273373 1414401014 /nfs/dbraw/zinc/40/10/14/1414401014.db2.gz HSFQKMJVXRDJGJ-SJORKVTESA-N 1 3 332.492 2.544 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccnn2C)CC1 ZINC001552375048 1414443070 /nfs/dbraw/zinc/44/30/70/1414443070.db2.gz FOAVOZKRIQRFMS-VQIMIIECSA-N 1 3 334.508 2.598 20 0 EFADHO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552375767 1414443104 /nfs/dbraw/zinc/44/31/04/1414443104.db2.gz LUMQQEDZCCMRDP-QAPCUYQASA-N 1 3 334.508 2.833 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccnn2C)CC1 ZINC001552375045 1414443477 /nfs/dbraw/zinc/44/34/77/1414443477.db2.gz FOAVOZKRIQRFMS-LPHOPBHVSA-N 1 3 334.508 2.598 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[NH2+]C2CCN(C(C)(C)C)CC2)cn1 ZINC001552377207 1414443892 /nfs/dbraw/zinc/44/38/92/1414443892.db2.gz ZIARHGANHBDARI-CRAIPNDOSA-N 1 3 334.508 2.740 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC001552523869 1414477374 /nfs/dbraw/zinc/47/73/74/1414477374.db2.gz HWGURFCOSAAKHP-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[N@@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC001552523869 1414477376 /nfs/dbraw/zinc/47/73/76/1414477376.db2.gz HWGURFCOSAAKHP-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@@H]2C[N@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC001552523869 1414477378 /nfs/dbraw/zinc/47/73/78/1414477378.db2.gz HWGURFCOSAAKHP-QWFCFKBJSA-N 1 3 346.519 2.696 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC001552831581 1414577983 /nfs/dbraw/zinc/57/79/83/1414577983.db2.gz SOBUBRRHUKJAMA-PZJWPPBQSA-N 1 3 341.499 2.562 20 0 EFADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2NCc1cnn2c1C[N@H+](C)CC2 ZINC001552972692 1414627594 /nfs/dbraw/zinc/62/75/94/1414627594.db2.gz PFJGEFMZTFKYOP-IFXJQAMLSA-N 1 3 340.471 2.750 20 0 EFADHO COc1ccc2c(c1)C[C@H](C)C[C@H]2NCc1cnn2c1C[N@@H+](C)CC2 ZINC001552972692 1414627595 /nfs/dbraw/zinc/62/75/95/1414627595.db2.gz PFJGEFMZTFKYOP-IFXJQAMLSA-N 1 3 340.471 2.750 20 0 EFADHO C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC001552979294 1414629768 /nfs/dbraw/zinc/62/97/68/1414629768.db2.gz CEUVSXNSEHJXPO-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CC1(C)[C@@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC001553024092 1414648367 /nfs/dbraw/zinc/64/83/67/1414648367.db2.gz JDXKBMVHNZORFQ-MOXMWUHRSA-N 1 3 329.488 2.578 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001566508697 1415598153 /nfs/dbraw/zinc/59/81/53/1415598153.db2.gz MOJCTLYCDPVFCF-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCCC[N@@H+](C)CC1CCC(C)(C)CC1)N(C)C ZINC001566508697 1415598157 /nfs/dbraw/zinc/59/81/57/1415598157.db2.gz MOJCTLYCDPVFCF-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CN1CCC[C@@H](C(C)(C)O)C1)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001646136324 1416618468 /nfs/dbraw/zinc/61/84/68/1416618468.db2.gz PMQWQLNHGSUWTI-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@H](CN1CCC[C@@H](C(C)(C)O)C1)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC001646136324 1416618473 /nfs/dbraw/zinc/61/84/73/1416618473.db2.gz PMQWQLNHGSUWTI-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C(C)(C)O)C1)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001646136324 1416618476 /nfs/dbraw/zinc/61/84/76/1416618476.db2.gz PMQWQLNHGSUWTI-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO C[C@@H](CN1CCC[C@H](C(C)(C)O)C1)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC001646136324 1416618480 /nfs/dbraw/zinc/61/84/80/1416618480.db2.gz PMQWQLNHGSUWTI-NNZMDNLPSA-N 1 3 340.552 2.588 20 0 EFADHO CCOc1c(OC)cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1OC ZINC000101591892 1416722746 /nfs/dbraw/zinc/72/27/46/1416722746.db2.gz VGEDPZHIMSTGHZ-AWEZNQCLSA-N 1 3 334.460 2.676 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000123771741 1417073332 /nfs/dbraw/zinc/07/33/32/1417073332.db2.gz MBSJCHSICKLFRJ-PMACEKPBSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000123771741 1417073335 /nfs/dbraw/zinc/07/33/35/1417073335.db2.gz MBSJCHSICKLFRJ-PMACEKPBSA-N 1 3 343.515 2.745 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000155820879 1418268079 /nfs/dbraw/zinc/26/80/79/1418268079.db2.gz PSGOPKIIXKXBPR-CYBMUJFWSA-N 1 3 347.400 2.960 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000236975900 1418473078 /nfs/dbraw/zinc/47/30/78/1418473078.db2.gz JAIPWKAHNBPMMV-QGZVFWFLSA-N 1 3 341.503 2.501 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001716460715 1418891308 /nfs/dbraw/zinc/89/13/08/1418891308.db2.gz XGYGLHKIVPUICL-YOEHRIQHSA-N 1 3 339.911 2.563 20 0 EFADHO CC(C)CN1CCC([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000164073099 1419320387 /nfs/dbraw/zinc/32/03/87/1419320387.db2.gz ACWJFQNVIMHSMF-UHFFFAOYSA-N 1 3 327.513 3.000 20 0 EFADHO CC(C)C[NH+]1CCC(NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000164073099 1419320390 /nfs/dbraw/zinc/32/03/90/1419320390.db2.gz ACWJFQNVIMHSMF-UHFFFAOYSA-N 1 3 327.513 3.000 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC001718030780 1419669305 /nfs/dbraw/zinc/66/93/05/1419669305.db2.gz DYKKQSDSHZEQNZ-QFBILLFUSA-N 1 3 329.488 2.836 20 0 EFADHO CC[C@H](C(=O)NCC1=CC[N@H+]([C@@H](C)c2ccccc2)CC1)N(C)C ZINC001718030780 1419669308 /nfs/dbraw/zinc/66/93/08/1419669308.db2.gz DYKKQSDSHZEQNZ-QFBILLFUSA-N 1 3 329.488 2.836 20 0 EFADHO CCc1cccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001724724321 1424943393 /nfs/dbraw/zinc/94/33/93/1424943393.db2.gz ULURCEDTRMCAHG-ICSRJNTNSA-N 1 3 345.531 2.917 20 0 EFADHO CCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001725032590 1425242392 /nfs/dbraw/zinc/24/23/92/1425242392.db2.gz PDJCKUHPQKFGLY-GUDVDZBRSA-N 1 3 331.504 2.889 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969169836 712950808 /nfs/dbraw/zinc/95/08/08/712950808.db2.gz IRLBRIRLSNUKJD-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969169836 712950809 /nfs/dbraw/zinc/95/08/09/712950809.db2.gz IRLBRIRLSNUKJD-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001027893038 717892906 /nfs/dbraw/zinc/89/29/06/717892906.db2.gz KUEGUFSKFOUHKR-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C)cc2)CC[N@H+]1C ZINC001027893038 717892909 /nfs/dbraw/zinc/89/29/09/717892909.db2.gz KUEGUFSKFOUHKR-SLFFLAALSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1F ZINC000969563598 713171345 /nfs/dbraw/zinc/17/13/45/713171345.db2.gz FWYVTMUELLBRFJ-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)c1 ZINC000969564330 713171681 /nfs/dbraw/zinc/17/16/81/713171681.db2.gz RFDDUHWHNBPNJO-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969654455 713206017 /nfs/dbraw/zinc/20/60/17/713206017.db2.gz QIAHBOSABJUHMG-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cc1 ZINC000969660218 713208544 /nfs/dbraw/zinc/20/85/44/713208544.db2.gz OQVINWCJQCAJKT-XLIONFOSSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cc1 ZINC000969660218 713208545 /nfs/dbraw/zinc/20/85/45/713208545.db2.gz OQVINWCJQCAJKT-XLIONFOSSA-N 1 3 343.515 2.804 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)C1 ZINC000969679675 713214454 /nfs/dbraw/zinc/21/44/54/713214454.db2.gz OLUSIWKOLGMIDF-DLBZAZTESA-N 1 3 335.517 2.561 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](NCc3ccsc3)C2)C1 ZINC000969679675 713214456 /nfs/dbraw/zinc/21/44/56/713214456.db2.gz OLUSIWKOLGMIDF-DLBZAZTESA-N 1 3 335.517 2.561 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969794497 713262749 /nfs/dbraw/zinc/26/27/49/713262749.db2.gz WHWCOFFSUQHBHW-CRAIPNDOSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020586370 713265508 /nfs/dbraw/zinc/26/55/08/713265508.db2.gz MWQXXDPVDCUNTQ-XMTFNYHQSA-N 1 3 329.488 2.777 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001020586262 713265952 /nfs/dbraw/zinc/26/59/52/713265952.db2.gz JIZLUPVURLOXBK-BHIYHBOVSA-N 1 3 329.488 2.525 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001020587596 713266616 /nfs/dbraw/zinc/26/66/16/713266616.db2.gz MRQBDZANWJJEAI-CAIZAGQASA-N 1 3 341.499 2.785 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001020587597 713266736 /nfs/dbraw/zinc/26/67/36/713266736.db2.gz MRQBDZANWJJEAI-DLVXIWMQSA-N 1 3 341.499 2.785 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001020587823 713266756 /nfs/dbraw/zinc/26/67/56/713266756.db2.gz WADYIUQKPVELDP-UTRMSSBJSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1cccc(Cl)c1 ZINC001020588786 713267020 /nfs/dbraw/zinc/26/70/20/713267020.db2.gz MCSCTPPMCIRFSM-LTCOOKNTSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H]([NH2+][C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(Cl)c1 ZINC001020588784 713267034 /nfs/dbraw/zinc/26/70/34/713267034.db2.gz MCSCTPPMCIRFSM-DACLVMHWSA-N 1 3 349.906 2.980 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001020586632 713267552 /nfs/dbraw/zinc/26/75/52/713267552.db2.gz UIZLHQBNMQDKKT-VDGAXYAQSA-N 1 3 343.515 2.860 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC001020586801 713267715 /nfs/dbraw/zinc/26/77/15/713267715.db2.gz ZKMAUWCYJYYZDG-ZTFGCOKTSA-N 1 3 349.906 2.604 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001020590511 713268159 /nfs/dbraw/zinc/26/81/59/713268159.db2.gz YWRHOWXUBDPXPI-NQYYFHDYSA-N 1 3 343.515 2.943 20 0 EFADHO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC001020591460 713269829 /nfs/dbraw/zinc/26/98/29/713269829.db2.gz OLRFZJWKROVOKE-WKILWMFISA-N 1 3 335.517 2.525 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCc4ccccc43)C2)C1 ZINC001020591365 713269858 /nfs/dbraw/zinc/26/98/58/713269858.db2.gz LWPSYRISFMQXIR-LNLFQRSKSA-N 1 3 341.499 2.643 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC000969844053 713280027 /nfs/dbraw/zinc/28/00/27/713280027.db2.gz CPMXAZYVIRZTCW-YZGWKJHDSA-N 1 3 343.515 2.841 20 0 EFADHO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1)c1ccccc1 ZINC000969844365 713280957 /nfs/dbraw/zinc/28/09/57/713280957.db2.gz JBGSGLGRYVIWBB-GUDVDZBRSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2cc3ccccc3o2)C1)[NH+](C)C ZINC000969846556 713281620 /nfs/dbraw/zinc/28/16/20/713281620.db2.gz YPVITMPZMKKSPR-VQIMIIECSA-N 1 3 343.471 2.710 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC000969950768 713320773 /nfs/dbraw/zinc/32/07/73/713320773.db2.gz JPTDSGJZXQSOQK-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(C4CC4)cc3)C2)C1 ZINC000969954175 713321446 /nfs/dbraw/zinc/32/14/46/713321446.db2.gz ATHGAORPBAKWLG-OXJNMPFZSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1cccc(F)c1 ZINC000969954580 713321636 /nfs/dbraw/zinc/32/16/36/713321636.db2.gz HCFASRPYLNCHTE-MAUKXSAKSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC000969956607 713324167 /nfs/dbraw/zinc/32/41/67/713324167.db2.gz ZYZHEDPXRHSGGN-CRAIPNDOSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC000969956551 713324204 /nfs/dbraw/zinc/32/42/04/713324204.db2.gz YRDRGPZIUQQASU-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1)c1ccccc1F ZINC000969956551 713324205 /nfs/dbraw/zinc/32/42/05/713324205.db2.gz YRDRGPZIUQQASU-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)N(C)C ZINC000969985700 713334503 /nfs/dbraw/zinc/33/45/03/713334503.db2.gz MQNODOGFFHHOCY-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC000969986292 713334868 /nfs/dbraw/zinc/33/48/68/713334868.db2.gz VNIUXOVNDQFPPJ-XKQJLSEDSA-N 1 3 337.895 2.932 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC000969992478 713336955 /nfs/dbraw/zinc/33/69/55/713336955.db2.gz ZCBVXJJRYMGPBE-SJORKVTESA-N 1 3 337.895 2.679 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000970104378 713399132 /nfs/dbraw/zinc/39/91/32/713399132.db2.gz CWCGZOIEHAKWMX-JKSUJKDBSA-N 1 3 326.444 2.521 20 0 EFADHO CC(C)(C)C1CCC(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC000970105857 713403511 /nfs/dbraw/zinc/40/35/11/713403511.db2.gz VGUDYTPTMLLXBN-OFLPRAFFSA-N 1 3 346.519 2.995 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)c1ccccc1Cl ZINC001020928899 713442587 /nfs/dbraw/zinc/44/25/87/713442587.db2.gz PIRSVKJGNLQYSL-QKPAOTATSA-N 1 3 349.906 2.980 20 0 EFADHO C[C@@H](N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)c1ccccc1Cl ZINC001020928899 713442589 /nfs/dbraw/zinc/44/25/89/713442589.db2.gz PIRSVKJGNLQYSL-QKPAOTATSA-N 1 3 349.906 2.980 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001020929504 713442745 /nfs/dbraw/zinc/44/27/45/713442745.db2.gz ZRCDSHNRJCFLRE-XIRDDKMYSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001020929504 713442746 /nfs/dbraw/zinc/44/27/46/713442746.db2.gz ZRCDSHNRJCFLRE-XIRDDKMYSA-N 1 3 349.906 2.727 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3nc[nH]c3C)C2)cc1 ZINC001020980285 713466141 /nfs/dbraw/zinc/46/61/41/713466141.db2.gz CUAAAKPUILVPLV-IYARVYRRSA-N 1 3 340.471 2.650 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001020981275 713466322 /nfs/dbraw/zinc/46/63/22/713466322.db2.gz DHEPOQZEECJSRD-XIRDDKMYSA-N 1 3 340.471 2.875 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001020981593 713466689 /nfs/dbraw/zinc/46/66/89/713466689.db2.gz JTSQETSQCPFGDY-WGSAOQKQSA-N 1 3 348.450 2.851 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001021088038 713561180 /nfs/dbraw/zinc/56/11/80/713561180.db2.gz LEGNVGIKUBNMMS-HNBVOPMISA-N 1 3 343.515 2.913 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001021089467 713561732 /nfs/dbraw/zinc/56/17/32/713561732.db2.gz CLPUBJPLZQIFKE-OTRWWLKZSA-N 1 3 349.906 2.950 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001021090178 713562600 /nfs/dbraw/zinc/56/26/00/713562600.db2.gz FPKYKUDCWBBWHK-LNMJFAINSA-N 1 3 347.478 2.766 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC001021091066 713562726 /nfs/dbraw/zinc/56/27/26/713562726.db2.gz RJHXHEJUWLNWPO-HNBVOPMISA-N 1 3 343.515 2.913 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1C ZINC001021090885 713562902 /nfs/dbraw/zinc/56/29/02/713562902.db2.gz MXSFWXSDIPRCPL-ZULIPRJHSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001021091207 713562971 /nfs/dbraw/zinc/56/29/71/713562971.db2.gz SSFMLTAKIMLQHT-WAAHFUDESA-N 1 3 343.515 2.913 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC001021090740 713562975 /nfs/dbraw/zinc/56/29/75/713562975.db2.gz JQYNLFOZZMAYFO-FVCZOJIISA-N 1 3 343.515 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)sc2C)C1 ZINC001021094393 713564543 /nfs/dbraw/zinc/56/45/43/713564543.db2.gz PXTPLULWVMYAKJ-KZNAEPCWSA-N 1 3 349.544 2.976 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001021094720 713564775 /nfs/dbraw/zinc/56/47/75/713564775.db2.gz ZLYAROXOCAOZBS-FPXQBCRKSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001021094711 713564925 /nfs/dbraw/zinc/56/49/25/713564925.db2.gz ZBTQUTZETHKMSK-DSLXNQLJSA-N 1 3 329.488 2.859 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001021096491 713574991 /nfs/dbraw/zinc/57/49/91/713574991.db2.gz UXEBTUJOOGUKCL-BZSNNMDCSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001021096279 713574998 /nfs/dbraw/zinc/57/49/98/713574998.db2.gz LRFVELWLBLTKJM-LFGUQSLTSA-N 1 3 341.499 2.785 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001021096775 713575669 /nfs/dbraw/zinc/57/56/69/713575669.db2.gz YDAMOSOOMHJNAW-BRWVUGGUSA-N 1 3 335.517 2.668 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)CC1 ZINC000970335131 713644065 /nfs/dbraw/zinc/64/40/65/713644065.db2.gz OCSMYIVTJILHGB-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccc(F)cc1 ZINC000970334371 713644076 /nfs/dbraw/zinc/64/40/76/713644076.db2.gz IBQDTZHUBLFBBC-VQIMIIECSA-N 1 3 347.478 2.809 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001021254592 713717230 /nfs/dbraw/zinc/71/72/30/713717230.db2.gz QGTIUFQAESNZHW-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001021254592 713717233 /nfs/dbraw/zinc/71/72/33/713717233.db2.gz QGTIUFQAESNZHW-IPQPSQTFSA-N 1 3 333.520 2.771 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000970578023 713820117 /nfs/dbraw/zinc/82/01/17/713820117.db2.gz UZVGJGMFFQJLCL-MRXNPFEDSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC(C)(C)C2)C1 ZINC001021380397 713852310 /nfs/dbraw/zinc/85/23/10/713852310.db2.gz DMXJWHOSZGJQKU-UXDRXVOSSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC(C)(C)C2)C1 ZINC001021380397 713852313 /nfs/dbraw/zinc/85/23/13/713852313.db2.gz DMXJWHOSZGJQKU-UXDRXVOSSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC001021380833 713852720 /nfs/dbraw/zinc/85/27/20/713852720.db2.gz XQWZOAXNICAISL-MIGBEJBISA-N 1 3 347.528 2.844 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1 ZINC001021380833 713852724 /nfs/dbraw/zinc/85/27/24/713852724.db2.gz XQWZOAXNICAISL-MIGBEJBISA-N 1 3 347.528 2.844 20 0 EFADHO C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C\Cl)CC1 ZINC001021401077 713875412 /nfs/dbraw/zinc/87/54/12/713875412.db2.gz FZBHYEGSVGBOGC-USJPDKNLSA-N 1 3 339.911 2.582 20 0 EFADHO CC(C)=CCN1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970713698 713927069 /nfs/dbraw/zinc/92/70/69/713927069.db2.gz JUKKVPOLDIUWLM-INIZCTEOSA-N 1 3 333.520 2.511 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970717170 713931388 /nfs/dbraw/zinc/93/13/88/713931388.db2.gz JRXQGAHRHFFIIV-GOSISDBHSA-N 1 3 329.488 2.596 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc2c(c1)CCC2 ZINC000970717815 713931885 /nfs/dbraw/zinc/93/18/85/713931885.db2.gz NOFOKTSRGWHKNT-OXQOHEQNSA-N 1 3 341.499 2.523 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001021465936 713944674 /nfs/dbraw/zinc/94/46/74/713944674.db2.gz HDYKYMRPZRJQQR-IHWFROFDSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001021465936 713944677 /nfs/dbraw/zinc/94/46/77/713944677.db2.gz HDYKYMRPZRJQQR-IHWFROFDSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001021469597 713950538 /nfs/dbraw/zinc/95/05/38/713950538.db2.gz HTBAWRHAFYVLQT-AYHJJNSGSA-N 1 3 347.478 2.833 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001021469597 713950539 /nfs/dbraw/zinc/95/05/39/713950539.db2.gz HTBAWRHAFYVLQT-AYHJJNSGSA-N 1 3 347.478 2.833 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CC3CCCC3)C2)c1 ZINC000970782091 713988783 /nfs/dbraw/zinc/98/87/83/713988783.db2.gz JDGSYZWMUOMFSW-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccsc3)C2)c1 ZINC000970786083 713992393 /nfs/dbraw/zinc/99/23/93/713992393.db2.gz MXHZGLAYXIIBKN-GOSISDBHSA-N 1 3 343.496 2.814 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000970799787 714004802 /nfs/dbraw/zinc/00/48/02/714004802.db2.gz IZOSHOCWOSDFKT-IAGOWNOFSA-N 1 3 335.517 2.621 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)C2)cc1 ZINC000970799747 714007231 /nfs/dbraw/zinc/00/72/31/714007231.db2.gz HMQANXGXPPGSKV-UXHICEINSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCc2ccsc2)C1)[NH+]1CCCCC1 ZINC000970804691 714013813 /nfs/dbraw/zinc/01/38/13/714013813.db2.gz ZUTRVACPISHAPF-QZTJIDSGSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)c1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970870766 714089256 /nfs/dbraw/zinc/08/92/56/714089256.db2.gz VYCUIZWUCSJFIV-VQIMIIECSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970870766 714089258 /nfs/dbraw/zinc/08/92/58/714089258.db2.gz VYCUIZWUCSJFIV-VQIMIIECSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876515 714093764 /nfs/dbraw/zinc/09/37/64/714093764.db2.gz GUQJFIWWMMMBPU-SJLPKXTDSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970876515 714093766 /nfs/dbraw/zinc/09/37/66/714093766.db2.gz GUQJFIWWMMMBPU-SJLPKXTDSA-N 1 3 343.515 2.698 20 0 EFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970876255 714094931 /nfs/dbraw/zinc/09/49/31/714094931.db2.gz UDQLTFLDVOQIHH-APWZRJJASA-N 1 3 343.515 2.527 20 0 EFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970876255 714094935 /nfs/dbraw/zinc/09/49/35/714094935.db2.gz UDQLTFLDVOQIHH-APWZRJJASA-N 1 3 343.515 2.527 20 0 EFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000970876266 714095210 /nfs/dbraw/zinc/09/52/10/714095210.db2.gz UDQLTFLDVOQIHH-VQIMIIECSA-N 1 3 343.515 2.527 20 0 EFADHO CCCc1ccc(CN2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC000970876266 714095212 /nfs/dbraw/zinc/09/52/12/714095212.db2.gz UDQLTFLDVOQIHH-VQIMIIECSA-N 1 3 343.515 2.527 20 0 EFADHO CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000970918323 714133095 /nfs/dbraw/zinc/13/30/95/714133095.db2.gz SVVXLVDALLZUPC-JKSUJKDBSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1C[NH+](CC2CCCC2)C1 ZINC000970918779 714133994 /nfs/dbraw/zinc/13/39/94/714133994.db2.gz XDVKYJZNPQMZAI-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCc2cccs2)C1 ZINC000970927846 714142948 /nfs/dbraw/zinc/14/29/48/714142948.db2.gz HUHPWBCDHSESJL-YJBOKZPZSA-N 1 3 349.544 2.602 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980246208 717957693 /nfs/dbraw/zinc/95/76/93/717957693.db2.gz PWTFFAYRUXAPPS-XUVXKRRUSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(CN(C)C)c3)C[C@@H]2C1 ZINC000980246208 717957699 /nfs/dbraw/zinc/95/76/99/717957699.db2.gz PWTFFAYRUXAPPS-XUVXKRRUSA-N 1 3 343.515 2.987 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@H+](CC4CCC4)CC[C@@H]32)C1 ZINC001021669912 714271457 /nfs/dbraw/zinc/27/14/57/714271457.db2.gz ICVQPSDKYMBNLL-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@H]3C[N@@H+](CC4CCC4)CC[C@@H]32)C1 ZINC001021669912 714271461 /nfs/dbraw/zinc/27/14/61/714271461.db2.gz ICVQPSDKYMBNLL-OALUTQOASA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@H+](CC4CCC4)CC[C@H]32)C1 ZINC001021669914 714271757 /nfs/dbraw/zinc/27/17/57/714271757.db2.gz ICVQPSDKYMBNLL-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC[C@@H]3C[N@@H+](CC4CCC4)CC[C@H]32)C1 ZINC001021669914 714271759 /nfs/dbraw/zinc/27/17/59/714271759.db2.gz ICVQPSDKYMBNLL-RTBURBONSA-N 1 3 347.547 2.831 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC2(Br)CC2)[C@H](C)C1 ZINC000846857405 714455491 /nfs/dbraw/zinc/45/54/91/714455491.db2.gz IWLURUVUUMJKEI-ZIAGYGMSSA-N 1 3 333.314 2.641 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC2(Br)CC2)[C@H](C)C1 ZINC000846857405 714455492 /nfs/dbraw/zinc/45/54/92/714455492.db2.gz IWLURUVUUMJKEI-ZIAGYGMSSA-N 1 3 333.314 2.641 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200261 714461209 /nfs/dbraw/zinc/46/12/09/714461209.db2.gz GAEJOUPVWPQYPV-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000971200261 714461211 /nfs/dbraw/zinc/46/12/11/714461211.db2.gz GAEJOUPVWPQYPV-UYAOXDASSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200259 714461306 /nfs/dbraw/zinc/46/13/06/714461306.db2.gz GAEJOUPVWPQYPV-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971200259 714461308 /nfs/dbraw/zinc/46/13/08/714461308.db2.gz GAEJOUPVWPQYPV-QUCCMNQESA-N 1 3 343.515 2.937 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200188 714461319 /nfs/dbraw/zinc/46/13/19/714461319.db2.gz FOEBLDCZRFRAIY-QUCCMNQESA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1 ZINC000971200188 714461320 /nfs/dbraw/zinc/46/13/20/714461320.db2.gz FOEBLDCZRFRAIY-QUCCMNQESA-N 1 3 341.499 2.691 20 0 EFADHO Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971204098 714463478 /nfs/dbraw/zinc/46/34/78/714463478.db2.gz ILTYVCRRSAVZJI-MSOLQXFVSA-N 1 3 349.906 2.775 20 0 EFADHO Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000971204098 714463479 /nfs/dbraw/zinc/46/34/79/714463479.db2.gz ILTYVCRRSAVZJI-MSOLQXFVSA-N 1 3 349.906 2.775 20 0 EFADHO Brc1cnn(CCN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000261830104 714464780 /nfs/dbraw/zinc/46/47/80/714464780.db2.gz UPWIITPWWYKHMJ-SOUVJXGZSA-N 1 3 341.297 2.546 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980249847 717978860 /nfs/dbraw/zinc/97/88/60/717978860.db2.gz CESOGLKZASBPOI-QXAKKESOSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@@H]2C1 ZINC000980249847 717978866 /nfs/dbraw/zinc/97/88/66/717978866.db2.gz CESOGLKZASBPOI-QXAKKESOSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980249850 717979172 /nfs/dbraw/zinc/97/91/72/717979172.db2.gz CESOGLKZASBPOI-YTQUADARSA-N 1 3 343.515 2.987 20 0 EFADHO CC(C)[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3CN(C)C)C[C@H]2C1 ZINC000980249850 717979175 /nfs/dbraw/zinc/97/91/75/717979175.db2.gz CESOGLKZASBPOI-YTQUADARSA-N 1 3 343.515 2.987 20 0 EFADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000891403246 714624379 /nfs/dbraw/zinc/62/43/79/714624379.db2.gz KPZBITQJPWGKDS-YTQUADARSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415286 714697477 /nfs/dbraw/zinc/69/74/77/714697477.db2.gz BVKSTSKVJSPNAZ-ZACQAIPSSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)N1CCCC1 ZINC001039415286 714697480 /nfs/dbraw/zinc/69/74/80/714697480.db2.gz BVKSTSKVJSPNAZ-ZACQAIPSSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000971563632 714709465 /nfs/dbraw/zinc/70/94/65/714709465.db2.gz PDSZQPJYQDFBKD-FHLIZLRMSA-N 1 3 349.906 2.713 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971563632 714709467 /nfs/dbraw/zinc/70/94/67/714709467.db2.gz PDSZQPJYQDFBKD-FHLIZLRMSA-N 1 3 349.906 2.713 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)N(C)C)cc1 ZINC000891447093 714711259 /nfs/dbraw/zinc/71/12/59/714711259.db2.gz UERQGNPIJAOKEE-ROUUACIJSA-N 1 3 346.519 2.675 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001022069924 714719535 /nfs/dbraw/zinc/71/95/35/714719535.db2.gz OURQVKWNOHZCHY-QCRHNUIXSA-N 1 3 335.536 2.922 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)N3CCCCC3)C2)cc1 ZINC001022077220 714731090 /nfs/dbraw/zinc/73/10/90/714731090.db2.gz LRGVQKCHTJTDBQ-KDURUIRLSA-N 1 3 343.515 2.996 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001022105025 714752142 /nfs/dbraw/zinc/75/21/42/714752142.db2.gz LHFPKYBJGMMCFK-WVCIDPQESA-N 1 3 349.906 2.978 20 0 EFADHO C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC001022105025 714752145 /nfs/dbraw/zinc/75/21/45/714752145.db2.gz LHFPKYBJGMMCFK-WVCIDPQESA-N 1 3 349.906 2.978 20 0 EFADHO [NH3+][C@H](C[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1)C1CCCC1 ZINC000891559261 714824241 /nfs/dbraw/zinc/82/42/41/714824241.db2.gz DAPAPBLWNDBKMQ-KVSKMBFKSA-N 1 3 348.535 2.552 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022195196 714861441 /nfs/dbraw/zinc/86/14/41/714861441.db2.gz AQCVQYQIMWCWGV-KURKYZTESA-N 1 3 347.478 2.540 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022195196 714861444 /nfs/dbraw/zinc/86/14/44/714861444.db2.gz AQCVQYQIMWCWGV-KURKYZTESA-N 1 3 347.478 2.540 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675135 714870980 /nfs/dbraw/zinc/87/09/80/714870980.db2.gz XRDXMGFKGYLBLY-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675135 714870982 /nfs/dbraw/zinc/87/09/82/714870982.db2.gz XRDXMGFKGYLBLY-IBGZPJMESA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971675182 714871102 /nfs/dbraw/zinc/87/11/02/714871102.db2.gz YGJJPHBJQISTEG-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000971675182 714871103 /nfs/dbraw/zinc/87/11/03/714871103.db2.gz YGJJPHBJQISTEG-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675810 714873504 /nfs/dbraw/zinc/87/35/04/714873504.db2.gz BMDPJQKCYJYIKN-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675810 714873507 /nfs/dbraw/zinc/87/35/07/714873507.db2.gz BMDPJQKCYJYIKN-GOSISDBHSA-N 1 3 347.478 2.651 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC000971676159 714873764 /nfs/dbraw/zinc/87/37/64/714873764.db2.gz CDMCHRIRDBQGJG-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]([N@@H+](C)CCC3=CCCCC3)C2)CCC1 ZINC000971676159 714873766 /nfs/dbraw/zinc/87/37/66/714873766.db2.gz CDMCHRIRDBQGJG-SFHVURJKSA-N 1 3 333.520 2.894 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971676233 714873893 /nfs/dbraw/zinc/87/38/93/714873893.db2.gz DUUWIRLADNEKSP-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971676233 714873896 /nfs/dbraw/zinc/87/38/96/714873896.db2.gz DUUWIRLADNEKSP-LJQANCHMSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677350 714874568 /nfs/dbraw/zinc/87/45/68/714874568.db2.gz JEMOUYDCRZLMQG-MSOLQXFVSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677350 714874570 /nfs/dbraw/zinc/87/45/70/714874570.db2.gz JEMOUYDCRZLMQG-MSOLQXFVSA-N 1 3 349.544 2.738 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC3CCCCCC3)C2)CCC1 ZINC000971679426 714877330 /nfs/dbraw/zinc/87/73/30/714877330.db2.gz TUSCCVDAFIFBLT-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCCC3)C2)CCC1 ZINC000971679426 714877333 /nfs/dbraw/zinc/87/73/33/714877333.db2.gz TUSCCVDAFIFBLT-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971687993 714882780 /nfs/dbraw/zinc/88/27/80/714882780.db2.gz SBYZMHYDWTXEOQ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971687993 714882782 /nfs/dbraw/zinc/88/27/82/714882782.db2.gz SBYZMHYDWTXEOQ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000971687668 714882847 /nfs/dbraw/zinc/88/28/47/714882847.db2.gz NXWJGTURNYXBEA-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000971687668 714882851 /nfs/dbraw/zinc/88/28/51/714882851.db2.gz NXWJGTURNYXBEA-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685686 714884977 /nfs/dbraw/zinc/88/49/77/714884977.db2.gz NMRUGUBLVMOOIS-ZWKOTPCHSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685686 714884979 /nfs/dbraw/zinc/88/49/79/714884979.db2.gz NMRUGUBLVMOOIS-ZWKOTPCHSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685684 714885103 /nfs/dbraw/zinc/88/51/03/714885103.db2.gz NMRUGUBLVMOOIS-QZTJIDSGSA-N 1 3 349.906 2.713 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(Cl)c2)C1)C1CC1 ZINC000971685684 714885105 /nfs/dbraw/zinc/88/51/05/714885105.db2.gz NMRUGUBLVMOOIS-QZTJIDSGSA-N 1 3 349.906 2.713 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686553 714886318 /nfs/dbraw/zinc/88/63/18/714886318.db2.gz SLBDRSNZBWKINV-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC000971686553 714886319 /nfs/dbraw/zinc/88/63/19/714886319.db2.gz SLBDRSNZBWKINV-PMACEKPBSA-N 1 3 343.515 2.676 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687126 714886866 /nfs/dbraw/zinc/88/68/66/714886866.db2.gz JXOOFVVEXFBFNQ-LPHOPBHVSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687126 714886867 /nfs/dbraw/zinc/88/68/67/714886867.db2.gz JXOOFVVEXFBFNQ-LPHOPBHVSA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689862 714887736 /nfs/dbraw/zinc/88/77/36/714887736.db2.gz NSVIXMVUFVWOST-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971689862 714887738 /nfs/dbraw/zinc/88/77/38/714887738.db2.gz NSVIXMVUFVWOST-DNVCBOLYSA-N 1 3 347.478 2.904 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000971715159 714904434 /nfs/dbraw/zinc/90/44/34/714904434.db2.gz FYJKUNHIODJJDA-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000971715159 714904437 /nfs/dbraw/zinc/90/44/37/714904437.db2.gz FYJKUNHIODJJDA-MSOLQXFVSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000971735893 714921835 /nfs/dbraw/zinc/92/18/35/714921835.db2.gz NQZGWGDPJYVMRE-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000971735893 714921836 /nfs/dbraw/zinc/92/18/36/714921836.db2.gz NQZGWGDPJYVMRE-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccsc1 ZINC000947725574 718017275 /nfs/dbraw/zinc/01/72/75/718017275.db2.gz AWPWGNYJVWDFNL-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccsc1 ZINC000947725574 718017280 /nfs/dbraw/zinc/01/72/80/718017280.db2.gz AWPWGNYJVWDFNL-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000971785435 714958532 /nfs/dbraw/zinc/95/85/32/714958532.db2.gz UZSRTLMKFZNLBK-IEBWSBKVSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2c(C)cccc2C)C1)N(C)C ZINC000971785435 714958536 /nfs/dbraw/zinc/95/85/36/714958536.db2.gz UZSRTLMKFZNLBK-IEBWSBKVSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000971785008 714958593 /nfs/dbraw/zinc/95/85/93/714958593.db2.gz PLJWPXHULJFMGS-ZWKOTPCHSA-N 1 3 335.467 2.529 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC000971785008 714958594 /nfs/dbraw/zinc/95/85/94/714958594.db2.gz PLJWPXHULJFMGS-ZWKOTPCHSA-N 1 3 335.467 2.529 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)c(C)s1 ZINC000971789458 714961711 /nfs/dbraw/zinc/96/17/11/714961711.db2.gz MSRHKJXRADZUAT-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CCCCN3C)C2)c(C)s1 ZINC000971789458 714961715 /nfs/dbraw/zinc/96/17/15/714961715.db2.gz MSRHKJXRADZUAT-ROUUACIJSA-N 1 3 349.544 2.882 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)N(C)C)cc1 ZINC000891898701 715101344 /nfs/dbraw/zinc/10/13/44/715101344.db2.gz AWWNLDGCIBPRCI-BHIYHBOVSA-N 1 3 346.519 2.524 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)N(C)C)cc1 ZINC000891898703 715101353 /nfs/dbraw/zinc/10/13/53/715101353.db2.gz AWWNLDGCIBPRCI-UHOSZYNNSA-N 1 3 346.519 2.524 20 0 EFADHO CC(C)N(C)CCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000724048153 715157264 /nfs/dbraw/zinc/15/72/64/715157264.db2.gz MENVJWVERZZBJL-HZPDHXFCSA-N 1 3 327.513 3.000 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646321 715272494 /nfs/dbraw/zinc/27/24/94/715272494.db2.gz JDRPIGIGEGJYBD-IYBDPMFKSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1cc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)cnc1F ZINC000892192776 715318016 /nfs/dbraw/zinc/31/80/16/715318016.db2.gz OXRCITNSVQAYET-UHFFFAOYSA-N 1 3 334.483 2.520 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1)N(C)C ZINC001027044166 715340463 /nfs/dbraw/zinc/34/04/63/715340463.db2.gz RTJDLMOFKZNBBF-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001027043944 715340557 /nfs/dbraw/zinc/34/05/57/715340557.db2.gz OWMMXEJBLFOVFB-PKOBYXMFSA-N 1 3 331.504 2.519 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943108 715363338 /nfs/dbraw/zinc/36/33/38/715363338.db2.gz DDAGAAPHNUZOAA-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CN(CC=C(C)C)CC2(C)C)C1 ZINC000974943108 715363344 /nfs/dbraw/zinc/36/33/44/715363344.db2.gz DDAGAAPHNUZOAA-QZTJIDSGSA-N 1 3 335.536 2.901 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)c1 ZINC001027068901 715409003 /nfs/dbraw/zinc/40/90/03/715409003.db2.gz GZZSBNNHALJJSP-OALUTQOASA-N 1 3 331.504 2.527 20 0 EFADHO CCc1ccc(CC[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001022711877 715409535 /nfs/dbraw/zinc/40/95/35/715409535.db2.gz FMFYAOLNJHSMQD-FFZOFVMBSA-N 1 3 343.515 2.513 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001027069372 715410253 /nfs/dbraw/zinc/41/02/53/715410253.db2.gz RRHIFZJZDBNQFK-HKUYNNGSSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC001027063253 715415328 /nfs/dbraw/zinc/41/53/28/715415328.db2.gz JQVDEFVBLMPKES-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001022713579 715415378 /nfs/dbraw/zinc/41/53/78/715415378.db2.gz KXAGDLXOQLFRHJ-OGWHTMIXSA-N 1 3 329.488 2.635 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027063465 715415961 /nfs/dbraw/zinc/41/59/61/715415961.db2.gz LNMDKWHYECZWDE-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2)C1 ZINC001027063761 715416731 /nfs/dbraw/zinc/41/67/31/715416731.db2.gz RHIZWTGSYHKPGZ-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027064521 715418356 /nfs/dbraw/zinc/41/83/56/715418356.db2.gz GKWDKFSYGBFPEU-XLIONFOSSA-N 1 3 343.515 2.529 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027064577 715418416 /nfs/dbraw/zinc/41/84/16/715418416.db2.gz HDJBQNYZBHBBES-APWZRJJASA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)C1 ZINC001027065165 715419392 /nfs/dbraw/zinc/41/93/92/715419392.db2.gz RYPCKKHLSJXUNW-DOTOQJQBSA-N 1 3 349.906 2.620 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001027065146 715419812 /nfs/dbraw/zinc/41/98/12/715419812.db2.gz RPGCROKOBVHBSR-PKOBYXMFSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC001027065266 715420507 /nfs/dbraw/zinc/42/05/07/715420507.db2.gz VAUSCJGRNARITD-HOTGVXAUSA-N 1 3 349.906 2.620 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c(Cl)c1 ZINC001022714952 715424098 /nfs/dbraw/zinc/42/40/98/715424098.db2.gz ATJIHYZELKAYMA-BHYGNILZSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022715029 715424941 /nfs/dbraw/zinc/42/49/41/715424941.db2.gz CKIIMBQYTPKWBE-LEUOFYLZSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331270 715465881 /nfs/dbraw/zinc/46/58/81/715465881.db2.gz FDVKJUVDDDWQOB-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001027331270 715465886 /nfs/dbraw/zinc/46/58/86/715465886.db2.gz FDVKJUVDDDWQOB-RBUKOAKNSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001027334966 715467579 /nfs/dbraw/zinc/46/75/79/715467579.db2.gz ZFSVPAQRWFFRCL-IAGOWNOFSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)cs1 ZINC001027334966 715467582 /nfs/dbraw/zinc/46/75/82/715467582.db2.gz ZFSVPAQRWFFRCL-IAGOWNOFSA-N 1 3 335.517 2.574 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331828 715469058 /nfs/dbraw/zinc/46/90/58/715469058.db2.gz JPSFPTUQHPIQTO-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001027331828 715469059 /nfs/dbraw/zinc/46/90/59/715469059.db2.gz JPSFPTUQHPIQTO-MOPGFXCFSA-N 1 3 347.478 2.651 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001027070392 715493949 /nfs/dbraw/zinc/49/39/49/715493949.db2.gz QDNROVPZLCQNOW-OALUTQOASA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Cl)C1)N(C)C ZINC001027070760 715495321 /nfs/dbraw/zinc/49/53/21/715495321.db2.gz XFBODUAVASDBPY-YOEHRIQHSA-N 1 3 337.895 2.618 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091442 715545945 /nfs/dbraw/zinc/54/59/45/715545945.db2.gz MYYRXDPZRDEWRP-KRWDZBQOSA-N 1 3 340.471 2.714 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001027091838 715546434 /nfs/dbraw/zinc/54/64/34/715546434.db2.gz VRJAMZVFEKLAEY-GOSISDBHSA-N 1 3 340.471 2.543 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]Cc2cccc3ccccc32)C1 ZINC001027092071 715546457 /nfs/dbraw/zinc/54/64/57/715546457.db2.gz ZXCDMUWECKAYMO-INIZCTEOSA-N 1 3 348.450 2.744 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972233926 715573312 /nfs/dbraw/zinc/57/33/12/715573312.db2.gz CSPJMWOBBIFCKL-SFHVURJKSA-N 1 3 349.906 2.715 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000972265648 715612431 /nfs/dbraw/zinc/61/24/31/715612431.db2.gz OSQYMLLSXJMTHN-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1)N(C)C ZINC000972265648 715612434 /nfs/dbraw/zinc/61/24/34/715612434.db2.gz OSQYMLLSXJMTHN-RTBURBONSA-N 1 3 335.536 2.996 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972268092 715615462 /nfs/dbraw/zinc/61/54/62/715615462.db2.gz WMZWPHKLFNTNCT-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972268092 715615464 /nfs/dbraw/zinc/61/54/64/715615464.db2.gz WMZWPHKLFNTNCT-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000972268786 715616261 /nfs/dbraw/zinc/61/62/61/715616261.db2.gz ZPJVAKVDGDFIOS-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000972268786 715616265 /nfs/dbraw/zinc/61/62/65/715616265.db2.gz ZPJVAKVDGDFIOS-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038240569 715693658 /nfs/dbraw/zinc/69/36/58/715693658.db2.gz QTOXMGWDLCIXRS-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038240569 715693661 /nfs/dbraw/zinc/69/36/61/715693661.db2.gz QTOXMGWDLCIXRS-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972330095 715697897 /nfs/dbraw/zinc/69/78/97/715697897.db2.gz DLQHLTYMAWADPO-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000972330095 715697899 /nfs/dbraw/zinc/69/78/99/715697899.db2.gz DLQHLTYMAWADPO-PKOBYXMFSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972329734 715699036 /nfs/dbraw/zinc/69/90/36/715699036.db2.gz AKLDLYOFMJJBJL-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972329734 715699039 /nfs/dbraw/zinc/69/90/39/715699039.db2.gz AKLDLYOFMJJBJL-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329734 715699042 /nfs/dbraw/zinc/69/90/42/715699042.db2.gz AKLDLYOFMJJBJL-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329734 715699045 /nfs/dbraw/zinc/69/90/45/715699045.db2.gz AKLDLYOFMJJBJL-QFBILLFUSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972329733 715699148 /nfs/dbraw/zinc/69/91/48/715699148.db2.gz AKLDLYOFMJJBJL-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000972329733 715699150 /nfs/dbraw/zinc/69/91/50/715699150.db2.gz AKLDLYOFMJJBJL-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329733 715699153 /nfs/dbraw/zinc/69/91/53/715699153.db2.gz AKLDLYOFMJJBJL-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329733 715699155 /nfs/dbraw/zinc/69/91/55/715699155.db2.gz AKLDLYOFMJJBJL-LPHOPBHVSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972331279 715699794 /nfs/dbraw/zinc/69/97/94/715699794.db2.gz JAHHGTHDWSBCQA-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC000972331279 715699798 /nfs/dbraw/zinc/69/97/98/715699798.db2.gz JAHHGTHDWSBCQA-UYAOXDASSA-N 1 3 343.515 2.820 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC000972331365 715703230 /nfs/dbraw/zinc/70/32/30/715703230.db2.gz KHRQHWPDHBEPBA-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC000972331365 715703233 /nfs/dbraw/zinc/70/32/33/715703233.db2.gz KHRQHWPDHBEPBA-IEBWSBKVSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000972332734 715705910 /nfs/dbraw/zinc/70/59/10/715705910.db2.gz QXHJMAQLDTXLMF-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)c1 ZINC000972332734 715705913 /nfs/dbraw/zinc/70/59/13/715705913.db2.gz QXHJMAQLDTXLMF-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001027139860 715706096 /nfs/dbraw/zinc/70/60/96/715706096.db2.gz TZCQPCCPDLQVLG-LYBXBRPPSA-N 1 3 349.563 2.983 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333909 715707853 /nfs/dbraw/zinc/70/78/53/715707853.db2.gz ZHTQFMNNSFRFQN-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000972333909 715707858 /nfs/dbraw/zinc/70/78/58/715707858.db2.gz ZHTQFMNNSFRFQN-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+](CC1CCC1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334204 715707935 /nfs/dbraw/zinc/70/79/35/715707935.db2.gz FUTPVYXETPMTDJ-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CCC1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334204 715707940 /nfs/dbraw/zinc/70/79/40/715707940.db2.gz FUTPVYXETPMTDJ-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972334751 715708297 /nfs/dbraw/zinc/70/82/97/715708297.db2.gz JEXMAFFVOFXVLT-DNVCBOLYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000972334751 715708302 /nfs/dbraw/zinc/70/83/02/715708302.db2.gz JEXMAFFVOFXVLT-DNVCBOLYSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336005 715711122 /nfs/dbraw/zinc/71/11/22/715711122.db2.gz UCHLBFBBMRHCTF-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336005 715711126 /nfs/dbraw/zinc/71/11/26/715711126.db2.gz UCHLBFBBMRHCTF-FXAWDEMLSA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336525 715712878 /nfs/dbraw/zinc/71/28/78/715712878.db2.gz XYAPGPAPMPIXTD-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000972336525 715712881 /nfs/dbraw/zinc/71/28/81/715712881.db2.gz XYAPGPAPMPIXTD-PXNSSMCTSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972340335 715718152 /nfs/dbraw/zinc/71/81/52/715718152.db2.gz RATCHUOFEKDLNF-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CCC1CCCC1)[C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972340335 715718154 /nfs/dbraw/zinc/71/81/54/715718154.db2.gz RATCHUOFEKDLNF-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCCN3C(C)C)C2)c1 ZINC001022808226 715728726 /nfs/dbraw/zinc/72/87/26/715728726.db2.gz RKWBMUWMRKMQMS-HSALFYBXSA-N 1 3 343.515 2.995 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022807653 715730092 /nfs/dbraw/zinc/73/00/92/715730092.db2.gz JQBLXUSBTQEDCZ-OTWHNJEPSA-N 1 3 329.488 2.686 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001009630462 715758282 /nfs/dbraw/zinc/75/82/82/715758282.db2.gz WGCKLGRQWBUJTE-FAFZWHIHSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001009630462 715758287 /nfs/dbraw/zinc/75/82/87/715758287.db2.gz WGCKLGRQWBUJTE-FAFZWHIHSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@H+](C)CCc3cccs3)C2)CCC1 ZINC001027441124 715810127 /nfs/dbraw/zinc/81/01/27/715810127.db2.gz RUSGSZSTKSAJJQ-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]([N@@H+](C)CCc3cccs3)C2)CCC1 ZINC001027441124 715810129 /nfs/dbraw/zinc/81/01/29/715810129.db2.gz RUSGSZSTKSAJJQ-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001027441671 715811809 /nfs/dbraw/zinc/81/18/09/715811809.db2.gz IZZXZERJCURUMI-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1)C1CCC1 ZINC001027441671 715811812 /nfs/dbraw/zinc/81/18/12/715811812.db2.gz IZZXZERJCURUMI-GOSISDBHSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001027443166 715816312 /nfs/dbraw/zinc/81/63/12/715816312.db2.gz JKOAYGMLNOOWFQ-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001027443166 715816317 /nfs/dbraw/zinc/81/63/17/715816317.db2.gz JKOAYGMLNOOWFQ-WOJBJXKFSA-N 1 3 343.515 2.758 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027444523 715820324 /nfs/dbraw/zinc/82/03/24/715820324.db2.gz SGZXEALQJBUEEI-SJORKVTESA-N 1 3 335.517 2.511 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001027442364 715822441 /nfs/dbraw/zinc/82/24/41/715822441.db2.gz SQAXUKUDBAXHMO-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001027442364 715822446 /nfs/dbraw/zinc/82/24/46/715822446.db2.gz SQAXUKUDBAXHMO-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](N(C)Cc2cccc(F)c2)C1)[NH+](C)C ZINC001027451709 715846287 /nfs/dbraw/zinc/84/62/87/715846287.db2.gz GWTIGTRIYHLEHW-OALUTQOASA-N 1 3 349.494 2.835 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426890 715876698 /nfs/dbraw/zinc/87/66/98/715876698.db2.gz RHTGWUDCVSBFNL-ZWKOTPCHSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426890 715876703 /nfs/dbraw/zinc/87/67/03/715876703.db2.gz RHTGWUDCVSBFNL-ZWKOTPCHSA-N 1 3 326.444 2.636 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429660 715881347 /nfs/dbraw/zinc/88/13/47/715881347.db2.gz MTNBBNRKHKGAIB-NVXWUHKLSA-N 1 3 326.444 2.555 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972429660 715881349 /nfs/dbraw/zinc/88/13/49/715881349.db2.gz MTNBBNRKHKGAIB-NVXWUHKLSA-N 1 3 326.444 2.555 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccccc1Cl ZINC001027216973 715920883 /nfs/dbraw/zinc/92/08/83/715920883.db2.gz CMWOOSJIKANHBZ-HOTGVXAUSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217284 715921181 /nfs/dbraw/zinc/92/11/81/715921181.db2.gz HHKNZCLZAQATKQ-INIZCTEOSA-N 1 3 349.906 2.682 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027217641 715921395 /nfs/dbraw/zinc/92/13/95/715921395.db2.gz NNQKDDMFVMOOEH-ROUUACIJSA-N 1 3 329.488 2.590 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CC3CCCC3)C2)c1 ZINC001027234263 715946397 /nfs/dbraw/zinc/94/63/97/715946397.db2.gz TWWZGKKNDJUBGW-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC001027235562 715949539 /nfs/dbraw/zinc/94/95/39/715949539.db2.gz SISHQKGLKUIMSU-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC001027235781 715949571 /nfs/dbraw/zinc/94/95/71/715949571.db2.gz VHIGGSQBPBDZNG-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)CC1 ZINC001022921832 715952219 /nfs/dbraw/zinc/95/22/19/715952219.db2.gz PVQLGOUBKXXWFF-HDICACEKSA-N 1 3 347.478 2.683 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027235058 715957840 /nfs/dbraw/zinc/95/78/40/715957840.db2.gz JMCXKVOGEHNVIG-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027235060 715957979 /nfs/dbraw/zinc/95/79/79/715957979.db2.gz JMCXKVOGEHNVIG-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CN(Cc1ccsc1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001027478112 715968545 /nfs/dbraw/zinc/96/85/45/715968545.db2.gz PHHUUGCQQPEFIC-QGZVFWFLSA-N 1 3 347.528 2.799 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469909 724441093 /nfs/dbraw/zinc/44/10/93/724441093.db2.gz KVSMCEHLBVHIQC-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000985469909 724441095 /nfs/dbraw/zinc/44/10/95/724441095.db2.gz KVSMCEHLBVHIQC-UHFFFAOYSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001022975982 716045078 /nfs/dbraw/zinc/04/50/78/716045078.db2.gz ZRCDSHNRJCFLRE-OIISXLGYSA-N 1 3 349.906 2.727 20 0 EFADHO Cc1ccc(CN[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001022975982 716045081 /nfs/dbraw/zinc/04/50/81/716045081.db2.gz ZRCDSHNRJCFLRE-OIISXLGYSA-N 1 3 349.906 2.727 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CCC2)CC1 ZINC001029173468 722941734 /nfs/dbraw/zinc/94/17/34/722941734.db2.gz QYNBEUKGXGOVGH-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccc(F)cc1 ZINC001023025202 716091662 /nfs/dbraw/zinc/09/16/62/716091662.db2.gz ZOMILNQGSNINLD-IXDOHACOSA-N 1 3 344.434 2.788 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@@H](C)CC[C@@H]3C)C2)cc1 ZINC001023124279 716163168 /nfs/dbraw/zinc/16/31/68/716163168.db2.gz DYRLOIIHDGGSAG-CPLUKWAASA-N 1 3 343.515 2.859 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001023125424 716163711 /nfs/dbraw/zinc/16/37/11/716163711.db2.gz PXWDQOPOCIMVNS-LVYXFOGZSA-N 1 3 333.520 2.676 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001023128936 716165622 /nfs/dbraw/zinc/16/56/22/716165622.db2.gz ZLYAROXOCAOZBS-JEWRLFTDSA-N 1 3 347.478 2.998 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001023130969 716166201 /nfs/dbraw/zinc/16/62/01/716166201.db2.gz PZEHZOHOMFQAMH-QCRHNUIXSA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977592634 716372997 /nfs/dbraw/zinc/37/29/97/716372997.db2.gz ZXZROYOSTBSCPJ-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977592634 716373001 /nfs/dbraw/zinc/37/30/01/716373001.db2.gz ZXZROYOSTBSCPJ-RBUKOAKNSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038270116 716374877 /nfs/dbraw/zinc/37/48/77/716374877.db2.gz WHKQDGYEMKCMTK-CEXWTWQISA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038270116 716374881 /nfs/dbraw/zinc/37/48/81/716374881.db2.gz WHKQDGYEMKCMTK-CEXWTWQISA-N 1 3 333.520 2.798 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977604471 716391316 /nfs/dbraw/zinc/39/13/16/716391316.db2.gz WKIVNBWRGQEOTN-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(CN2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977604471 716391320 /nfs/dbraw/zinc/39/13/20/716391320.db2.gz WKIVNBWRGQEOTN-RBUKOAKNSA-N 1 3 343.515 2.527 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605403 716391558 /nfs/dbraw/zinc/39/15/58/716391558.db2.gz YBCDAFWDABDLKW-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO Cc1ccc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)cc1C ZINC000977605403 716391560 /nfs/dbraw/zinc/39/15/60/716391560.db2.gz YBCDAFWDABDLKW-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC(C)C)CC[N@@H+]1C ZINC001039607674 716392735 /nfs/dbraw/zinc/39/27/35/716392735.db2.gz XMEHFMVPVKBPBW-ZSYWTGECSA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC(C)C)CC[N@H+]1C ZINC001039607674 716392740 /nfs/dbraw/zinc/39/27/40/716392740.db2.gz XMEHFMVPVKBPBW-ZSYWTGECSA-N 1 3 335.536 2.828 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655248 716446887 /nfs/dbraw/zinc/44/68/87/716446887.db2.gz NPHLQSJQPVFXKX-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccsc2)CC1(C)C ZINC000977655248 716446890 /nfs/dbraw/zinc/44/68/90/716446890.db2.gz NPHLQSJQPVFXKX-DLBZAZTESA-N 1 3 349.544 2.949 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccsc2)C1)C12CCC[NH+]1CCC2 ZINC001023466649 716503486 /nfs/dbraw/zinc/50/34/86/716503486.db2.gz KJKRDOTXRXMPTA-INIZCTEOSA-N 1 3 347.528 2.705 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)cs1 ZINC001027555787 716520820 /nfs/dbraw/zinc/52/08/20/716520820.db2.gz SYSPABTZKJWIQA-SFHVURJKSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027562025 716564743 /nfs/dbraw/zinc/56/47/43/716564743.db2.gz IKEZWKWTAAMOQM-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001027562025 716564746 /nfs/dbraw/zinc/56/47/46/716564746.db2.gz IKEZWKWTAAMOQM-WOJBJXKFSA-N 1 3 345.531 2.738 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000978948616 716595854 /nfs/dbraw/zinc/59/58/54/716595854.db2.gz JLRVRWUKHCTGHO-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000978948616 716595859 /nfs/dbraw/zinc/59/58/59/716595859.db2.gz JLRVRWUKHCTGHO-YSTOQKLRSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575551 716685653 /nfs/dbraw/zinc/68/56/53/716685653.db2.gz BDVAHTUJLLCBCQ-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575551 716685655 /nfs/dbraw/zinc/68/56/55/716685655.db2.gz BDVAHTUJLLCBCQ-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCc3cccs3)C2)C1 ZINC001027575567 716686007 /nfs/dbraw/zinc/68/60/07/716686007.db2.gz BFLBTTIEEYFYCQ-SJORKVTESA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCc3cccs3)C2)C1 ZINC001027575567 716686011 /nfs/dbraw/zinc/68/60/11/716686011.db2.gz BFLBTTIEEYFYCQ-SJORKVTESA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575549 716686129 /nfs/dbraw/zinc/68/61/29/716686129.db2.gz BDVAHTUJLLCBCQ-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001027575549 716686135 /nfs/dbraw/zinc/68/61/35/716686135.db2.gz BDVAHTUJLLCBCQ-IEBWSBKVSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CCc3cccs3)C2)C1 ZINC001027575564 716686164 /nfs/dbraw/zinc/68/61/64/716686164.db2.gz BFLBTTIEEYFYCQ-IAGOWNOFSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3cccs3)C2)C1 ZINC001027575564 716686167 /nfs/dbraw/zinc/68/61/67/716686167.db2.gz BFLBTTIEEYFYCQ-IAGOWNOFSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027575665 716704907 /nfs/dbraw/zinc/70/49/07/716704907.db2.gz BZMPDFMJNCOKCS-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001027575665 716704912 /nfs/dbraw/zinc/70/49/12/716704912.db2.gz BZMPDFMJNCOKCS-UYAOXDASSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575689 716705243 /nfs/dbraw/zinc/70/52/43/716705243.db2.gz CFPWTFDFWSDWAZ-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)Cc3ccsc3)C2)C1 ZINC001027575689 716705249 /nfs/dbraw/zinc/70/52/49/716705249.db2.gz CFPWTFDFWSDWAZ-NVXWUHKLSA-N 1 3 335.517 2.513 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575888 716707757 /nfs/dbraw/zinc/70/77/57/716707757.db2.gz GGNKPIPMOVFEKP-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001027575888 716707762 /nfs/dbraw/zinc/70/77/62/716707762.db2.gz GGNKPIPMOVFEKP-IEBWSBKVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001027576000 716708255 /nfs/dbraw/zinc/70/82/55/716708255.db2.gz IBMSUEPVGJZORA-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001027576000 716708259 /nfs/dbraw/zinc/70/82/59/716708259.db2.gz IBMSUEPVGJZORA-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC001027575996 716708467 /nfs/dbraw/zinc/70/84/67/716708467.db2.gz HYRPOVXBIKYQKF-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001027575996 716708470 /nfs/dbraw/zinc/70/84/70/716708470.db2.gz HYRPOVXBIKYQKF-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001027576093 716709283 /nfs/dbraw/zinc/70/92/83/716709283.db2.gz KBYAHKZQWFSZLX-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001027576093 716709287 /nfs/dbraw/zinc/70/92/87/716709287.db2.gz KBYAHKZQWFSZLX-QFBILLFUSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(F)c2)C1 ZINC001027576091 716709319 /nfs/dbraw/zinc/70/93/19/716709319.db2.gz KBYAHKZQWFSZLX-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(F)c2)C1 ZINC001027576091 716709322 /nfs/dbraw/zinc/70/93/22/716709322.db2.gz KBYAHKZQWFSZLX-APWZRJJASA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027576196 716710658 /nfs/dbraw/zinc/71/06/58/716710658.db2.gz LWGXBRZMDZEKKC-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027576196 716710662 /nfs/dbraw/zinc/71/06/62/716710662.db2.gz LWGXBRZMDZEKKC-QUCCMNQESA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027576194 716710683 /nfs/dbraw/zinc/71/06/83/716710683.db2.gz LWGXBRZMDZEKKC-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001027576194 716710688 /nfs/dbraw/zinc/71/06/88/716710688.db2.gz LWGXBRZMDZEKKC-AZUAARDMSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027576362 716711865 /nfs/dbraw/zinc/71/18/65/716711865.db2.gz NNSPRSKCUNXNEL-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1 ZINC001027576362 716711867 /nfs/dbraw/zinc/71/18/67/716711867.db2.gz NNSPRSKCUNXNEL-ICSRJNTNSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027576364 716711915 /nfs/dbraw/zinc/71/19/15/716711915.db2.gz NNSPRSKCUNXNEL-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001027576364 716711917 /nfs/dbraw/zinc/71/19/17/716711917.db2.gz NNSPRSKCUNXNEL-UYAOXDASSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)CCC3CCCC3)C2)C1 ZINC001027576403 716712371 /nfs/dbraw/zinc/71/23/71/716712371.db2.gz OOCYOCXPDVKOST-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)CCC3CCCC3)C2)C1 ZINC001027576403 716712376 /nfs/dbraw/zinc/71/23/76/716712376.db2.gz OOCYOCXPDVKOST-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576530 716714718 /nfs/dbraw/zinc/71/47/18/716714718.db2.gz QKIMWECFQATYJU-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)C1 ZINC001027576530 716714725 /nfs/dbraw/zinc/71/47/25/716714725.db2.gz QKIMWECFQATYJU-PKOBYXMFSA-N 1 3 333.520 2.751 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576690 716715385 /nfs/dbraw/zinc/71/53/85/716715385.db2.gz USKRTXBPKAOEFH-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576690 716715390 /nfs/dbraw/zinc/71/53/90/716715390.db2.gz USKRTXBPKAOEFH-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576687 716715585 /nfs/dbraw/zinc/71/55/85/716715585.db2.gz USKRTXBPKAOEFH-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(F)c3)C2)C1 ZINC001027576687 716715591 /nfs/dbraw/zinc/71/55/91/716715591.db2.gz USKRTXBPKAOEFH-APWZRJJASA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000972609562 716716822 /nfs/dbraw/zinc/71/68/22/716716822.db2.gz BERDFRVFZIWUKQ-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000972609562 716716826 /nfs/dbraw/zinc/71/68/26/716716826.db2.gz BERDFRVFZIWUKQ-HXUWFJFHSA-N 1 3 343.515 2.760 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CC3=CCCCC3)C2)CC1 ZINC000972610914 716718802 /nfs/dbraw/zinc/71/88/02/716718802.db2.gz WZINJBBKQHEWAE-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CC3=CCCCC3)C2)CC1 ZINC000972610914 716718806 /nfs/dbraw/zinc/71/88/06/716718806.db2.gz WZINJBBKQHEWAE-LJQANCHMSA-N 1 3 333.520 2.751 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000972611242 716720115 /nfs/dbraw/zinc/72/01/15/716720115.db2.gz ZKBTUYLHVDKHLD-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(F)cc3)C2)CC1 ZINC000972611242 716720120 /nfs/dbraw/zinc/72/01/20/716720120.db2.gz ZKBTUYLHVDKHLD-IBGZPJMESA-N 1 3 347.478 2.590 20 0 EFADHO CC(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577704 716725238 /nfs/dbraw/zinc/72/52/38/716725238.db2.gz RHWSJPWJIUJMIJ-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577704 716725244 /nfs/dbraw/zinc/72/52/44/716725244.db2.gz RHWSJPWJIUJMIJ-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027578021 716729131 /nfs/dbraw/zinc/72/91/31/716729131.db2.gz AFISQWPBHIPGNO-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001027578021 716729136 /nfs/dbraw/zinc/72/91/36/716729136.db2.gz AFISQWPBHIPGNO-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027578492 716732511 /nfs/dbraw/zinc/73/25/11/716732511.db2.gz LPKVDYSFRVHBLQ-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001027578492 716732517 /nfs/dbraw/zinc/73/25/17/716732517.db2.gz LPKVDYSFRVHBLQ-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CCc2cccs2)C1)N(C)C ZINC001027579105 716740291 /nfs/dbraw/zinc/74/02/91/716740291.db2.gz BSEWBSWUSQTYRB-RDJZCZTQSA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CCc2cccs2)C1)N(C)C ZINC001027579105 716740294 /nfs/dbraw/zinc/74/02/94/716740294.db2.gz BSEWBSWUSQTYRB-RDJZCZTQSA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023632574 716745500 /nfs/dbraw/zinc/74/55/00/716745500.db2.gz NDGDPBRPXKQPJD-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023632574 716745505 /nfs/dbraw/zinc/74/55/05/716745505.db2.gz NDGDPBRPXKQPJD-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023633254 716746362 /nfs/dbraw/zinc/74/63/62/716746362.db2.gz VQXXLCVOUMRQKM-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023633254 716746364 /nfs/dbraw/zinc/74/63/64/716746364.db2.gz VQXXLCVOUMRQKM-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC000978140180 716838142 /nfs/dbraw/zinc/83/81/42/716838142.db2.gz DEGBNBPVRNYDPQ-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC000978140180 716838146 /nfs/dbraw/zinc/83/81/46/716838146.db2.gz DEGBNBPVRNYDPQ-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001023696511 716838859 /nfs/dbraw/zinc/83/88/59/716838859.db2.gz OLQLGLGHWSMLNW-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001023696511 716838862 /nfs/dbraw/zinc/83/88/62/716838862.db2.gz OLQLGLGHWSMLNW-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000978142241 716839445 /nfs/dbraw/zinc/83/94/45/716839445.db2.gz HRTFDLIYLSEUOM-FJIDUMEYSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000978142241 716839449 /nfs/dbraw/zinc/83/94/49/716839449.db2.gz HRTFDLIYLSEUOM-FJIDUMEYSA-N 1 3 335.536 2.589 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594164 716876175 /nfs/dbraw/zinc/87/61/75/716876175.db2.gz DPVXBXPLEQHFSY-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027594164 716876182 /nfs/dbraw/zinc/87/61/82/716876182.db2.gz DPVXBXPLEQHFSY-GOSISDBHSA-N 1 3 344.503 2.845 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595424 716882500 /nfs/dbraw/zinc/88/25/00/716882500.db2.gz YNLWXPUYOXJDLC-APWZRJJASA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595424 716882503 /nfs/dbraw/zinc/88/25/03/716882503.db2.gz YNLWXPUYOXJDLC-APWZRJJASA-N 1 3 340.471 2.945 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023761753 716974014 /nfs/dbraw/zinc/97/40/14/716974014.db2.gz IRSCCRXLTOIBQL-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023761753 716974016 /nfs/dbraw/zinc/97/40/16/716974016.db2.gz IRSCCRXLTOIBQL-AEFFLSMTSA-N 1 3 349.544 2.951 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763506 716975967 /nfs/dbraw/zinc/97/59/67/716975967.db2.gz PPAXQOMGZVTRFF-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763506 716975972 /nfs/dbraw/zinc/97/59/72/716975972.db2.gz PPAXQOMGZVTRFF-QGZVFWFLSA-N 1 3 331.504 2.990 20 0 EFADHO CC[C@@H](F)CN1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763715 716977877 /nfs/dbraw/zinc/97/78/77/716977877.db2.gz YZYNBHYENJLMFB-SJLPKXTDSA-N 1 3 349.494 2.938 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC000985472070 724444420 /nfs/dbraw/zinc/44/44/20/724444420.db2.gz YJRKCOMOARLCDL-IBGZPJMESA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC000985472070 724444422 /nfs/dbraw/zinc/44/44/22/724444422.db2.gz YJRKCOMOARLCDL-IBGZPJMESA-N 1 3 333.520 2.750 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1F ZINC000972731374 717159668 /nfs/dbraw/zinc/15/96/68/717159668.db2.gz FGYDJLIOEARFMK-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1F ZINC000972731374 717159669 /nfs/dbraw/zinc/15/96/69/717159669.db2.gz FGYDJLIOEARFMK-ZWKOTPCHSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734393 717161519 /nfs/dbraw/zinc/16/15/19/717161519.db2.gz YLEFMOMUEHFUPV-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734393 717161521 /nfs/dbraw/zinc/16/15/21/717161521.db2.gz YLEFMOMUEHFUPV-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC000972733409 717162935 /nfs/dbraw/zinc/16/29/35/717162935.db2.gz QEGNFWIHBPVKQM-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC000972733409 717162937 /nfs/dbraw/zinc/16/29/37/717162937.db2.gz QEGNFWIHBPVKQM-AEFFLSMTSA-N 1 3 349.544 2.739 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC000985472071 724444631 /nfs/dbraw/zinc/44/46/31/724444631.db2.gz YJRKCOMOARLCDL-LJQANCHMSA-N 1 3 333.520 2.750 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1)C1CC1 ZINC000985472071 724444633 /nfs/dbraw/zinc/44/46/33/724444633.db2.gz YJRKCOMOARLCDL-LJQANCHMSA-N 1 3 333.520 2.750 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980397276 717207513 /nfs/dbraw/zinc/20/75/13/717207513.db2.gz OQEFWGNUSXBMDM-FUHWJXTLSA-N 1 3 349.906 2.633 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980397276 717207516 /nfs/dbraw/zinc/20/75/16/717207516.db2.gz OQEFWGNUSXBMDM-FUHWJXTLSA-N 1 3 349.906 2.633 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3F)C2)CCC1 ZINC001024016534 717209313 /nfs/dbraw/zinc/20/93/13/717209313.db2.gz IAYCZBAFYMJMAU-MRXNPFEDSA-N 1 3 347.478 2.638 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)C1CC1 ZINC001024019133 717216656 /nfs/dbraw/zinc/21/66/56/717216656.db2.gz VKPQGRSYFGHFIK-LPHOPBHVSA-N 1 3 347.547 2.735 20 0 EFADHO C[N@H+](CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404563 717218280 /nfs/dbraw/zinc/21/82/80/717218280.db2.gz CAINAGNVOSFAMW-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCC(C)(C)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980404563 717218284 /nfs/dbraw/zinc/21/82/84/717218284.db2.gz CAINAGNVOSFAMW-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405113 717218683 /nfs/dbraw/zinc/21/86/83/717218683.db2.gz FSODBJSOUPFVNG-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405113 717218685 /nfs/dbraw/zinc/21/86/85/717218685.db2.gz FSODBJSOUPFVNG-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@H+](CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405115 717218981 /nfs/dbraw/zinc/21/89/81/717218981.db2.gz FSODBJSOUPFVNG-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO C[N@@H+](CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405115 717218985 /nfs/dbraw/zinc/21/89/85/717218985.db2.gz FSODBJSOUPFVNG-SFHVURJKSA-N 1 3 333.520 2.585 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001024018016 717219203 /nfs/dbraw/zinc/21/92/03/717219203.db2.gz ZNMFDXJAEFHHTB-INIZCTEOSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2CCCCC2)C1)C1CC1 ZINC001024018667 717220105 /nfs/dbraw/zinc/22/01/05/717220105.db2.gz QYEQTDBSPNMHDL-HKUYNNGSSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cs1 ZINC001024018895 717221109 /nfs/dbraw/zinc/22/11/09/717221109.db2.gz UABDKOMQMZVTJD-CRAIPNDOSA-N 1 3 349.544 2.725 20 0 EFADHO C[N@H+](CCc1ccccc1Cl)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407474 717222415 /nfs/dbraw/zinc/22/24/15/717222415.db2.gz YFMGPENKWHJKBH-QGZVFWFLSA-N 1 3 349.906 2.511 20 0 EFADHO C[N@@H+](CCc1ccccc1Cl)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407474 717222417 /nfs/dbraw/zinc/22/24/17/717222417.db2.gz YFMGPENKWHJKBH-QGZVFWFLSA-N 1 3 349.906 2.511 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408425 717222906 /nfs/dbraw/zinc/22/29/06/717222906.db2.gz JNMPIMHAYPAUAN-QAPCUYQASA-N 1 3 333.451 2.515 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980408425 717222911 /nfs/dbraw/zinc/22/29/11/717222911.db2.gz JNMPIMHAYPAUAN-QAPCUYQASA-N 1 3 333.451 2.515 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2C)C1)N(C)C ZINC001024039151 717249406 /nfs/dbraw/zinc/24/94/06/717249406.db2.gz QBAZUHCZNCFDBE-PKOBYXMFSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001024038578 717249472 /nfs/dbraw/zinc/24/94/72/717249472.db2.gz JIGJIMSQZKMNMW-PKOBYXMFSA-N 1 3 349.494 2.803 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475609 717315214 /nfs/dbraw/zinc/31/52/14/717315214.db2.gz HQZDXEYUWKTSNM-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2)C1 ZINC000980475609 717315220 /nfs/dbraw/zinc/31/52/20/717315220.db2.gz HQZDXEYUWKTSNM-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCCC2)C1 ZINC000980485411 717327819 /nfs/dbraw/zinc/32/78/19/717327819.db2.gz JMODCDSSNKHETJ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000980485411 717327826 /nfs/dbraw/zinc/32/78/26/717327826.db2.gz JMODCDSSNKHETJ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCC2)C1 ZINC000980485413 717327916 /nfs/dbraw/zinc/32/79/16/717327916.db2.gz JMODCDSSNKHETJ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000980485413 717327921 /nfs/dbraw/zinc/32/79/21/717327921.db2.gz JMODCDSSNKHETJ-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486939 717330553 /nfs/dbraw/zinc/33/05/53/717330553.db2.gz YKYCIPNOONBHCF-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000980486939 717330556 /nfs/dbraw/zinc/33/05/56/717330556.db2.gz YKYCIPNOONBHCF-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001024155905 717449840 /nfs/dbraw/zinc/44/98/40/717449840.db2.gz CYHPHCSXQDWMLL-RDJZCZTQSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cs1 ZINC001024155906 717449871 /nfs/dbraw/zinc/44/98/71/717449871.db2.gz CYHPHCSXQDWMLL-WBVHZDCISA-N 1 3 349.544 2.869 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001024155855 717449880 /nfs/dbraw/zinc/44/98/80/717449880.db2.gz BIYNLOKYEXOVJX-HKUYNNGSSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024155836 717449889 /nfs/dbraw/zinc/44/98/89/717449889.db2.gz AQYHENWFSLPAGD-IEBWSBKVSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001024156024 717450492 /nfs/dbraw/zinc/45/04/92/717450492.db2.gz HCLSBYOZKPENQS-OALUTQOASA-N 1 3 343.515 2.808 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001024156285 717450648 /nfs/dbraw/zinc/45/06/48/717450648.db2.gz KVTLURJWOJIZGL-ROUUACIJSA-N 1 3 347.547 2.737 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001024156395 717450777 /nfs/dbraw/zinc/45/07/77/717450777.db2.gz MTGJVALWNSFJAP-ADKAHSJRSA-N 1 3 335.536 2.593 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001024156912 717451372 /nfs/dbraw/zinc/45/13/72/717451372.db2.gz VEQVREDUDMURKV-HKUYNNGSSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001024156789 717451666 /nfs/dbraw/zinc/45/16/66/717451666.db2.gz UDCOBIIOFVACHN-UYAOXDASSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2c(C)cccc2C)C1)N(C)C ZINC001024161094 717456688 /nfs/dbraw/zinc/45/66/88/717456688.db2.gz FUMJCCSQYMVKBV-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)c(F)c2)C1)N(C)C ZINC001024161255 717456934 /nfs/dbraw/zinc/45/69/34/717456934.db2.gz JIGJIMSQZKMNMW-MJGOQNOKSA-N 1 3 349.494 2.803 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000980604442 717475142 /nfs/dbraw/zinc/47/51/42/717475142.db2.gz MIHMDDJKOXYYJY-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000980605639 717476925 /nfs/dbraw/zinc/47/69/25/717476925.db2.gz URIZDDBZSNIYMI-PKOBYXMFSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2F)CN1C(=O)CN(C)C1CCC1 ZINC000980605704 717477408 /nfs/dbraw/zinc/47/74/08/717477408.db2.gz VOQZTKVWUFWZKU-CVEARBPZSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001024178819 717477478 /nfs/dbraw/zinc/47/74/78/717477478.db2.gz FLSWZGJVVOQTJN-GJZGRUSLSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c(C)s1 ZINC001024179548 717478702 /nfs/dbraw/zinc/47/87/02/717478702.db2.gz NMKSQKPJLQTDLC-HNNXBMFYSA-N 1 3 346.500 2.659 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001024179857 717478870 /nfs/dbraw/zinc/47/88/70/717478870.db2.gz QIVRYFFDMVFZDF-SFHVURJKSA-N 1 3 340.471 2.543 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024185798 717484246 /nfs/dbraw/zinc/48/42/46/717484246.db2.gz HAISNTUJLNAQJU-MOPGFXCFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCCCC2)CN1C(=O)CN(C)C1CCC1 ZINC000980608013 717489134 /nfs/dbraw/zinc/48/91/34/717489134.db2.gz XZYYNIBBVBARFO-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1)C1CCC1 ZINC000985474428 724447261 /nfs/dbraw/zinc/44/72/61/724447261.db2.gz ZUABALTWIDEVMO-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1)C1CCC1 ZINC000985474428 724447263 /nfs/dbraw/zinc/44/72/63/724447263.db2.gz ZUABALTWIDEVMO-UHFFFAOYSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024278440 717563552 /nfs/dbraw/zinc/56/35/52/717563552.db2.gz ONYVWTHXHGQKRN-GOSISDBHSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024278441 717563814 /nfs/dbraw/zinc/56/38/14/717563814.db2.gz ONYVWTHXHGQKRN-SFHVURJKSA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001024278434 717563856 /nfs/dbraw/zinc/56/38/56/717563856.db2.gz OKFWCKNBWAMCRU-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699872 717604835 /nfs/dbraw/zinc/60/48/35/717604835.db2.gz GMVVHIOPOVPWOE-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2C[C@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980705416 717611134 /nfs/dbraw/zinc/61/11/34/717611134.db2.gz ZCCSWZRZDVUUSU-IRXDYDNUSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)Cc1c[nH]cn1 ZINC000980709654 717641851 /nfs/dbraw/zinc/64/18/51/717641851.db2.gz YXXUOVPGUQNPHG-DZGCQCFKSA-N 1 3 346.862 2.632 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980738470 717657856 /nfs/dbraw/zinc/65/78/56/717657856.db2.gz FFDJYABAIYSHTN-MJGOQNOKSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980738471 717658100 /nfs/dbraw/zinc/65/81/00/717658100.db2.gz FFDJYABAIYSHTN-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001027879450 717747146 /nfs/dbraw/zinc/74/71/46/717747146.db2.gz SIFJMJPFVGFKCS-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001027879450 717747148 /nfs/dbraw/zinc/74/71/48/717747148.db2.gz SIFJMJPFVGFKCS-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001027879450 717747151 /nfs/dbraw/zinc/74/71/51/717747151.db2.gz SIFJMJPFVGFKCS-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001027879450 717747153 /nfs/dbraw/zinc/74/71/53/717747153.db2.gz SIFJMJPFVGFKCS-VQTJNVASSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001027878531 717750657 /nfs/dbraw/zinc/75/06/57/717750657.db2.gz DJFSULSQTMWQAD-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC001027878531 717750660 /nfs/dbraw/zinc/75/06/60/717750660.db2.gz DJFSULSQTMWQAD-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980800484 717763667 /nfs/dbraw/zinc/76/36/67/717763667.db2.gz QDGTXSZRPFAJNP-IRXDYDNUSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c1 ZINC000980801688 717766392 /nfs/dbraw/zinc/76/63/92/717766392.db2.gz VLOBDUFZLOYVCO-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2)CN1C(=O)CN1CCCC1 ZINC000980802043 717767024 /nfs/dbraw/zinc/76/70/24/717767024.db2.gz XOIQMCMKXAWXPI-WBVHZDCISA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)c1 ZINC000980799592 717774050 /nfs/dbraw/zinc/77/40/50/717774050.db2.gz IZZREUDRDMUKLS-MOPGFXCFSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000980799979 717774527 /nfs/dbraw/zinc/77/45/27/717774527.db2.gz NYWQIGYOPPVFLW-PKOBYXMFSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000980799974 717774665 /nfs/dbraw/zinc/77/46/65/717774665.db2.gz NYWQIGYOPPVFLW-HKUYNNGSSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001029904118 724474767 /nfs/dbraw/zinc/47/47/67/724474767.db2.gz NJFLCPQMIXDGAF-QGZVFWFLSA-N 1 3 349.544 2.741 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001029754949 724474829 /nfs/dbraw/zinc/47/48/29/724474829.db2.gz GTINHXZEDRPXEL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1)C1CCC1 ZINC001029754949 724474833 /nfs/dbraw/zinc/47/48/33/724474833.db2.gz GTINHXZEDRPXEL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CC1=CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000935397057 717804858 /nfs/dbraw/zinc/80/48/58/717804858.db2.gz YQXNGZQGIJMVOH-UHFFFAOYSA-N 1 3 331.460 2.647 20 0 EFADHO Cc1ccc(CN2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001027997119 717852376 /nfs/dbraw/zinc/85/23/76/717852376.db2.gz JDFDFBLPERPGSI-LJQANCHMSA-N 1 3 341.499 2.704 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754650 724474037 /nfs/dbraw/zinc/47/40/37/724474037.db2.gz CDRGKSNXSIHPIU-LPHOPBHVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754650 724474038 /nfs/dbraw/zinc/47/40/38/724474038.db2.gz CDRGKSNXSIHPIU-LPHOPBHVSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754652 724474101 /nfs/dbraw/zinc/47/41/01/724474101.db2.gz CDRGKSNXSIHPIU-QFBILLFUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001029754652 724474102 /nfs/dbraw/zinc/47/41/02/724474102.db2.gz CDRGKSNXSIHPIU-QFBILLFUSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001029755187 724474419 /nfs/dbraw/zinc/47/44/19/724474419.db2.gz JDOAVYGWUIZNMI-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)CCC1 ZINC001029755187 724474420 /nfs/dbraw/zinc/47/44/20/724474420.db2.gz JDOAVYGWUIZNMI-QGZVFWFLSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c(C)s1 ZINC001029904118 724474766 /nfs/dbraw/zinc/47/47/66/724474766.db2.gz NJFLCPQMIXDGAF-QGZVFWFLSA-N 1 3 349.544 2.741 20 0 EFADHO C[N@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCc2ccccc21 ZINC001029904467 724475489 /nfs/dbraw/zinc/47/54/89/724475489.db2.gz WYCCRSTXRHIKEM-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO C[N@@H+](C[C@H]1CCN(C(=O)CN2CCCC2)C1)[C@H]1CCc2ccccc21 ZINC001029904467 724475493 /nfs/dbraw/zinc/47/54/93/724475493.db2.gz WYCCRSTXRHIKEM-XLIONFOSSA-N 1 3 341.499 2.550 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001029904462 724475635 /nfs/dbraw/zinc/47/56/35/724475635.db2.gz WVTYNGVITXYIBI-SFHVURJKSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1F ZINC001029904462 724475638 /nfs/dbraw/zinc/47/56/38/724475638.db2.gz WVTYNGVITXYIBI-SFHVURJKSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904645 724476147 /nfs/dbraw/zinc/47/61/47/724476147.db2.gz ZWUSVGKHXBDTGG-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904645 724476150 /nfs/dbraw/zinc/47/61/50/724476150.db2.gz ZWUSVGKHXBDTGG-IBGZPJMESA-N 1 3 343.515 2.680 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001027891760 717890412 /nfs/dbraw/zinc/89/04/12/717890412.db2.gz GWFZNDSKNKVXJP-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC001027891760 717890414 /nfs/dbraw/zinc/89/04/14/717890414.db2.gz GWFZNDSKNKVXJP-LSTHTHJFSA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904329 724477340 /nfs/dbraw/zinc/47/73/40/724477340.db2.gz SVNATPBCVPZFOR-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904329 724477342 /nfs/dbraw/zinc/47/73/42/724477342.db2.gz SVNATPBCVPZFOR-DLBZAZTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904282 724477626 /nfs/dbraw/zinc/47/76/26/724477626.db2.gz RVCOHRAPBFKBRL-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904282 724477629 /nfs/dbraw/zinc/47/76/29/724477629.db2.gz RVCOHRAPBFKBRL-SJORKVTESA-N 1 3 347.478 2.763 20 0 EFADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCCC1 ZINC001029905928 724479402 /nfs/dbraw/zinc/47/94/02/724479402.db2.gz XWDGGPDNKMQBLP-IBGZPJMESA-N 1 3 335.536 2.833 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)CC1CCCCCC1 ZINC001029905928 724479406 /nfs/dbraw/zinc/47/94/06/724479406.db2.gz XWDGGPDNKMQBLP-IBGZPJMESA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccccc2C)CC1)N(C)C ZINC000985493175 724481795 /nfs/dbraw/zinc/48/17/95/724481795.db2.gz RRLQFPLQDJGOCM-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccccc2C)CC1)N(C)C ZINC000985493175 724481798 /nfs/dbraw/zinc/48/17/98/724481798.db2.gz RRLQFPLQDJGOCM-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029767591 724485949 /nfs/dbraw/zinc/48/59/49/724485949.db2.gz VGRPFLSRVRTVGZ-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029767591 724485951 /nfs/dbraw/zinc/48/59/51/724485951.db2.gz VGRPFLSRVRTVGZ-FUHWJXTLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029766785 724483981 /nfs/dbraw/zinc/48/39/81/724483981.db2.gz GNCAGKYJVGNBOK-IEBWSBKVSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029766785 724483983 /nfs/dbraw/zinc/48/39/83/724483983.db2.gz GNCAGKYJVGNBOK-IEBWSBKVSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029767216 724485519 /nfs/dbraw/zinc/48/55/19/724485519.db2.gz MJIXCSRZQIKCLH-WOJBJXKFSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001029767216 724485521 /nfs/dbraw/zinc/48/55/21/724485521.db2.gz MJIXCSRZQIKCLH-WOJBJXKFSA-N 1 3 345.531 2.924 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800727 718168006 /nfs/dbraw/zinc/16/80/06/718168006.db2.gz HPSZKPNUOASMMS-MSOLQXFVSA-N 1 3 349.544 2.603 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCN2CCCc2ccsc2)C1 ZINC001024800727 718168007 /nfs/dbraw/zinc/16/80/07/718168007.db2.gz HPSZKPNUOASMMS-MSOLQXFVSA-N 1 3 349.544 2.603 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001024801952 718168993 /nfs/dbraw/zinc/16/89/93/718168993.db2.gz QLCUPZYIRANDSJ-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001024801952 718168996 /nfs/dbraw/zinc/16/89/96/718168996.db2.gz QLCUPZYIRANDSJ-UXHICEINSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001024801954 718169120 /nfs/dbraw/zinc/16/91/20/718169120.db2.gz QLCUPZYIRANDSJ-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(CN2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001024801954 718169124 /nfs/dbraw/zinc/16/91/24/718169124.db2.gz QLCUPZYIRANDSJ-WOJBJXKFSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165524 718169689 /nfs/dbraw/zinc/16/96/89/718169689.db2.gz WPMOACXHVNQHCA-INIZCTEOSA-N 1 3 327.488 2.533 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001024803895 718170209 /nfs/dbraw/zinc/17/02/09/718170209.db2.gz MADQXSXMJGGJNP-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001024803895 718170211 /nfs/dbraw/zinc/17/02/11/718170211.db2.gz MADQXSXMJGGJNP-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC2CC2)c1 ZINC001024811436 718175008 /nfs/dbraw/zinc/17/50/08/718175008.db2.gz SZEQREKTFPMESQ-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)c1 ZINC001024811436 718175009 /nfs/dbraw/zinc/17/50/09/718175009.db2.gz SZEQREKTFPMESQ-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001024902659 718213963 /nfs/dbraw/zinc/21/39/63/718213963.db2.gz WXKRXKQKQFMYJY-QZTJIDSGSA-N 1 3 349.906 2.905 20 0 EFADHO CN(CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1)C1CCC1 ZINC001024983046 718248324 /nfs/dbraw/zinc/24/83/24/718248324.db2.gz KEHINALYLZFLDG-GOSISDBHSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC001024984459 718248951 /nfs/dbraw/zinc/24/89/51/718248951.db2.gz GJIIKPBUIGPNDE-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1)C1CC1 ZINC001024985592 718249586 /nfs/dbraw/zinc/24/95/86/718249586.db2.gz QSKXUNOOEZQIIP-IAGOWNOFSA-N 1 3 335.517 2.559 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001024985362 718249689 /nfs/dbraw/zinc/24/96/89/718249689.db2.gz NZMFLKBPPIEUBH-RBUKOAKNSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CC1 ZINC001024985813 718249817 /nfs/dbraw/zinc/24/98/17/718249817.db2.gz STTDETRQJZEPNK-MOPGFXCFSA-N 1 3 333.520 2.798 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1)C1CC1 ZINC001024985678 718250036 /nfs/dbraw/zinc/25/00/36/718250036.db2.gz SDOPVMFSDIDETB-RBUKOAKNSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001024986660 718250224 /nfs/dbraw/zinc/25/02/24/718250224.db2.gz ZIHUSUMTIWSUDA-PMACEKPBSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN1CCC[C@H]1C ZINC001025085325 718351135 /nfs/dbraw/zinc/35/11/35/718351135.db2.gz PLAISZYPCLYKMD-UYAOXDASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC001025098308 718357809 /nfs/dbraw/zinc/35/78/09/718357809.db2.gz NFQQQHSGFMPBDF-LJQANCHMSA-N 1 3 340.471 2.740 20 0 EFADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001007341749 718369933 /nfs/dbraw/zinc/36/99/33/718369933.db2.gz BHULGPFIKQAPIL-IRXDYDNUSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(N[C@H]1CCCN(CCCF)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001007341749 718369934 /nfs/dbraw/zinc/36/99/34/718369934.db2.gz BHULGPFIKQAPIL-IRXDYDNUSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCF ZINC001025247173 718467169 /nfs/dbraw/zinc/46/71/69/718467169.db2.gz JCYAAVKXWUCIBM-QZTJIDSGSA-N 1 3 344.434 2.763 20 0 EFADHO O=C(c1ccn2cncc2c1)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCF ZINC001025247173 718467170 /nfs/dbraw/zinc/46/71/70/718467170.db2.gz JCYAAVKXWUCIBM-QZTJIDSGSA-N 1 3 344.434 2.763 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCc3ccsc3)CC2)CC[N@@H+]1C ZINC000981193502 718490957 /nfs/dbraw/zinc/49/09/57/718490957.db2.gz BFQPYNCTYGXEPA-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN(CCCc3ccsc3)CC2)CC[N@H+]1C ZINC000981193502 718490958 /nfs/dbraw/zinc/49/09/58/718490958.db2.gz BFQPYNCTYGXEPA-SJLPKXTDSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194285 718491469 /nfs/dbraw/zinc/49/14/69/718491469.db2.gz PKOMUUWUJPIVGC-QWFCFKBJSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1ccccc1[C@@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194285 718491470 /nfs/dbraw/zinc/49/14/70/718491470.db2.gz PKOMUUWUJPIVGC-QWFCFKBJSA-N 1 3 343.515 2.931 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@@H+]1C ZINC000981198142 718492578 /nfs/dbraw/zinc/49/25/78/718492578.db2.gz YMIDXKIOIVMXEL-RBUKOAKNSA-N 1 3 333.520 2.751 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CC3=CCCCC3)CC2)CC[N@H+]1C ZINC000981198142 718492583 /nfs/dbraw/zinc/49/25/83/718492583.db2.gz YMIDXKIOIVMXEL-RBUKOAKNSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045927 718495500 /nfs/dbraw/zinc/49/55/00/718495500.db2.gz TZXBVRHPTKQTRP-IBGZPJMESA-N 1 3 343.515 2.951 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289205 718526804 /nfs/dbraw/zinc/52/68/04/718526804.db2.gz OETQKCDCFTXBFD-JKSUJKDBSA-N 1 3 332.492 2.943 20 0 EFADHO CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001025289205 718526808 /nfs/dbraw/zinc/52/68/08/718526808.db2.gz OETQKCDCFTXBFD-JKSUJKDBSA-N 1 3 332.492 2.943 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCC2CCC2)CC1 ZINC000981282315 718596138 /nfs/dbraw/zinc/59/61/38/718596138.db2.gz CAIWWGWMMGYTCZ-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981282315 718596142 /nfs/dbraw/zinc/59/61/42/718596142.db2.gz CAIWWGWMMGYTCZ-LJQANCHMSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC000981282908 718596720 /nfs/dbraw/zinc/59/67/20/718596720.db2.gz KDBUCOXZVQQCGL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981282908 718596723 /nfs/dbraw/zinc/59/67/23/718596723.db2.gz KDBUCOXZVQQCGL-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981283395 718597268 /nfs/dbraw/zinc/59/72/68/718597268.db2.gz UWIFXROSZJBUBT-GOSISDBHSA-N 1 3 349.544 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981283395 718597271 /nfs/dbraw/zinc/59/72/71/718597271.db2.gz UWIFXROSZJBUBT-GOSISDBHSA-N 1 3 349.544 2.699 20 0 EFADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981369819 718668987 /nfs/dbraw/zinc/66/89/87/718668987.db2.gz RRXAPRLZYSEDBI-KRWDZBQOSA-N 1 3 349.544 2.699 20 0 EFADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981369819 718668988 /nfs/dbraw/zinc/66/89/88/718668988.db2.gz RRXAPRLZYSEDBI-KRWDZBQOSA-N 1 3 349.544 2.699 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981369820 718669211 /nfs/dbraw/zinc/66/92/11/718669211.db2.gz RRXAPRLZYSEDBI-QGZVFWFLSA-N 1 3 349.544 2.699 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCCN(CCc2cccs2)CC1 ZINC000981369820 718669214 /nfs/dbraw/zinc/66/92/14/718669214.db2.gz RRXAPRLZYSEDBI-QGZVFWFLSA-N 1 3 349.544 2.699 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981391688 718680060 /nfs/dbraw/zinc/68/00/60/718680060.db2.gz TYFSOSVUMORPDC-CVEARBPZSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981391688 718680062 /nfs/dbraw/zinc/68/00/62/718680062.db2.gz TYFSOSVUMORPDC-CVEARBPZSA-N 1 3 345.478 2.542 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000981487807 718755734 /nfs/dbraw/zinc/75/57/34/718755734.db2.gz STSBJNDEQQFEAO-DLBZAZTESA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000981487808 718755910 /nfs/dbraw/zinc/75/59/10/718755910.db2.gz STSBJNDEQQFEAO-IAGOWNOFSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000981487809 718756106 /nfs/dbraw/zinc/75/61/06/718756106.db2.gz STSBJNDEQQFEAO-IRXDYDNUSA-N 1 3 332.492 2.858 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000981489218 718756889 /nfs/dbraw/zinc/75/68/89/718756889.db2.gz ZFLPDDOMMMDNNN-SJORKVTESA-N 1 3 330.476 2.778 20 0 EFADHO O=C(N1CCCN(CCCC2CCC2)CC1)C12CCC[NH+]1CCC2 ZINC000981543673 718801364 /nfs/dbraw/zinc/80/13/64/718801364.db2.gz AEDLBDSUDLZRPU-UHFFFAOYSA-N 1 3 333.520 2.729 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2C/C=C\c2ccccc2)CC1 ZINC001028112575 718934197 /nfs/dbraw/zinc/93/41/97/718934197.db2.gz VBMYGYRGRBSTMS-FMSOUQGNSA-N 1 3 341.499 2.622 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001025467940 718942235 /nfs/dbraw/zinc/94/22/35/718942235.db2.gz GLZHBLJMIBRARM-ZIDUMWFYSA-N 1 3 339.911 2.584 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001025467937 718942249 /nfs/dbraw/zinc/94/22/49/718942249.db2.gz GLZHBLJMIBRARM-FRGIFYTLSA-N 1 3 339.911 2.584 20 0 EFADHO CC(C)(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981688341 718943511 /nfs/dbraw/zinc/94/35/11/718943511.db2.gz XNNSIMDWYSIULX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)(C)CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 ZINC000981688341 718943514 /nfs/dbraw/zinc/94/35/14/718943514.db2.gz XNNSIMDWYSIULX-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+]1CCC(C(=O)NC[C@H]2CCCN2Cc2ccc(CF)cc2)CC1 ZINC001028117228 718970451 /nfs/dbraw/zinc/97/04/51/718970451.db2.gz NYFPEXMEPBFJSM-LJQANCHMSA-N 1 3 347.478 2.579 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@H+](CCCF)C2)N1CCCCC1 ZINC000981768765 719028370 /nfs/dbraw/zinc/02/83/70/719028370.db2.gz ROBUEEQYBCPLHB-UHFFFAOYSA-N 1 3 339.499 2.535 20 0 EFADHO CC(C)(C(=O)N1CC2(C1)CCC[N@@H+](CCCF)C2)N1CCCCC1 ZINC000981768765 719028373 /nfs/dbraw/zinc/02/83/73/719028373.db2.gz ROBUEEQYBCPLHB-UHFFFAOYSA-N 1 3 339.499 2.535 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2)C1CC1 ZINC000981812497 719072380 /nfs/dbraw/zinc/07/23/80/719072380.db2.gz PSXMWAQYPWWBLB-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2)C1CC1 ZINC000981812497 719072384 /nfs/dbraw/zinc/07/23/84/719072384.db2.gz PSXMWAQYPWWBLB-QGZVFWFLSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCc1cccs1)C2)N(C)C ZINC000981842289 719119298 /nfs/dbraw/zinc/11/92/98/719119298.db2.gz XHIZDTDPCBOEFT-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCc1cccs1)C2)N(C)C ZINC000981842289 719119300 /nfs/dbraw/zinc/11/93/00/719119300.db2.gz XHIZDTDPCBOEFT-QGZVFWFLSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](Cc1ccc(C)cc1)C2)N(C)C ZINC000981843274 719121503 /nfs/dbraw/zinc/12/15/03/719121503.db2.gz YSYXURFSRZAJSH-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(C)cc1)C2)N(C)C ZINC000981843274 719121504 /nfs/dbraw/zinc/12/15/04/719121504.db2.gz YSYXURFSRZAJSH-LJQANCHMSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1nn(C(C)C)c(C)c1CNC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000892762108 719134815 /nfs/dbraw/zinc/13/48/15/719134815.db2.gz AHQVUFUAZLOTSD-UHFFFAOYSA-N 1 3 347.551 2.729 20 0 EFADHO O=C(c1ccn2c[nH+]cc2c1)N1CC2(C1)CCCN(C/C=C\Cl)C2 ZINC000981871848 719148091 /nfs/dbraw/zinc/14/80/91/719148091.db2.gz GATXZKXAJVBURX-DJWKRKHSSA-N 1 3 344.846 2.625 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981898924 719179018 /nfs/dbraw/zinc/17/90/18/719179018.db2.gz TYFSOSVUMORPDC-JKSUJKDBSA-N 1 3 345.478 2.542 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC000981898924 719179020 /nfs/dbraw/zinc/17/90/20/719179020.db2.gz TYFSOSVUMORPDC-JKSUJKDBSA-N 1 3 345.478 2.542 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627313 719251037 /nfs/dbraw/zinc/25/10/37/719251037.db2.gz INGYTXJGEIDPMJ-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025627313 719251039 /nfs/dbraw/zinc/25/10/39/719251039.db2.gz INGYTXJGEIDPMJ-VQIMIIECSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628682 719251576 /nfs/dbraw/zinc/25/15/76/719251576.db2.gz TXXHEUQGNPSJIH-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628682 719251578 /nfs/dbraw/zinc/25/15/78/719251578.db2.gz TXXHEUQGNPSJIH-VQIMIIECSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628680 719251602 /nfs/dbraw/zinc/25/16/02/719251602.db2.gz TXXHEUQGNPSJIH-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001025628680 719251603 /nfs/dbraw/zinc/25/16/03/719251603.db2.gz TXXHEUQGNPSJIH-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025808919 719322298 /nfs/dbraw/zinc/32/22/98/719322298.db2.gz ZTHNFHOYNKUUME-PKOFMYQESA-N 1 3 341.499 2.668 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001025808919 719322299 /nfs/dbraw/zinc/32/22/99/719322299.db2.gz ZTHNFHOYNKUUME-PKOFMYQESA-N 1 3 341.499 2.668 20 0 EFADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001019774808 719382971 /nfs/dbraw/zinc/38/29/71/719382971.db2.gz JEJDQGWMADPRBR-WMZOPIPTSA-N 1 3 347.890 2.614 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001019775724 719383229 /nfs/dbraw/zinc/38/32/29/719383229.db2.gz ANXRSEAYKHYOBV-YOEHRIQHSA-N 1 3 335.879 2.687 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001019775919 719383504 /nfs/dbraw/zinc/38/35/04/719383504.db2.gz MQTDCJWEYKANAO-PBHICJAKSA-N 1 3 335.879 2.687 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001019820699 719391571 /nfs/dbraw/zinc/39/15/71/719391571.db2.gz VEEOWHIKVSXKBB-RBUKOAKNSA-N 1 3 347.478 2.699 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001019820690 719391602 /nfs/dbraw/zinc/39/16/02/719391602.db2.gz UPEBNLNRKFDNTA-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC000981991652 719402995 /nfs/dbraw/zinc/40/29/95/719402995.db2.gz LESJSJHCQJZQIG-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC000981991652 719403000 /nfs/dbraw/zinc/40/30/00/719403000.db2.gz LESJSJHCQJZQIG-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009411 719432788 /nfs/dbraw/zinc/43/27/88/719432788.db2.gz PUAULYLKQQSLQD-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CCCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000982009411 719432790 /nfs/dbraw/zinc/43/27/90/719432790.db2.gz PUAULYLKQQSLQD-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC000982012525 719436377 /nfs/dbraw/zinc/43/63/77/719436377.db2.gz YQXZJSKGJRGJDY-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC000982012525 719436379 /nfs/dbraw/zinc/43/63/79/719436379.db2.gz YQXZJSKGJRGJDY-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CCC2CCCC2)C3)C1 ZINC000982013409 719439295 /nfs/dbraw/zinc/43/92/95/719439295.db2.gz RSEUKNRURLJDRZ-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CCC2CCCC2)C3)C1 ZINC000982013409 719439299 /nfs/dbraw/zinc/43/92/99/719439299.db2.gz RSEUKNRURLJDRZ-GOSISDBHSA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052252 719506006 /nfs/dbraw/zinc/50/60/06/719506006.db2.gz FNGLYQDXABFEBH-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCCN3C(C)C)C2)C1 ZINC000982052252 719506009 /nfs/dbraw/zinc/50/60/09/719506009.db2.gz FNGLYQDXABFEBH-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1)N1CCCCCC1 ZINC000982083789 719526635 /nfs/dbraw/zinc/52/66/35/719526635.db2.gz AJMSAUBGMWIHQY-XBMUEBEBSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H](C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1)N1CCCCCC1 ZINC000982083789 719526638 /nfs/dbraw/zinc/52/66/38/719526638.db2.gz AJMSAUBGMWIHQY-XBMUEBEBSA-N 1 3 335.536 2.831 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000925835552 719543126 /nfs/dbraw/zinc/54/31/26/719543126.db2.gz RCLSCCZLZJYBOV-FXUDXRNXSA-N 1 3 333.442 2.914 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000982080859 719544050 /nfs/dbraw/zinc/54/40/50/719544050.db2.gz BXUUQYCSMWKXKY-SJORKVTESA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(CC[C@@H](C)F)CC1 ZINC000982080859 719544056 /nfs/dbraw/zinc/54/40/56/719544056.db2.gz BXUUQYCSMWKXKY-SJORKVTESA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000982080856 719544360 /nfs/dbraw/zinc/54/43/60/719544360.db2.gz BXUUQYCSMWKXKY-DLBZAZTESA-N 1 3 327.488 2.532 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(CC[C@H](C)F)CC1 ZINC000982080856 719544362 /nfs/dbraw/zinc/54/43/62/719544362.db2.gz BXUUQYCSMWKXKY-DLBZAZTESA-N 1 3 327.488 2.532 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001025937185 719554860 /nfs/dbraw/zinc/55/48/60/719554860.db2.gz IVRMUCCROVBCSL-GGFCQSDPSA-N 1 3 347.547 2.734 20 0 EFADHO CC1CCC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001025937185 719554863 /nfs/dbraw/zinc/55/48/63/719554863.db2.gz IVRMUCCROVBCSL-GGFCQSDPSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)C[N@@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160467 719619054 /nfs/dbraw/zinc/61/90/54/719619054.db2.gz ZJGQYLHHXQDZRL-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CC(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC000982160467 719619055 /nfs/dbraw/zinc/61/90/55/719619055.db2.gz ZJGQYLHHXQDZRL-UHFFFAOYSA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000982160938 719619864 /nfs/dbraw/zinc/61/98/64/719619864.db2.gz GKZFVGBQHXFHKU-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000982160938 719619867 /nfs/dbraw/zinc/61/98/67/719619867.db2.gz GKZFVGBQHXFHKU-UHFFFAOYSA-N 1 3 341.499 2.696 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043335 719672775 /nfs/dbraw/zinc/67/27/75/719672775.db2.gz KOCBJDCUHWDEHV-UVPIGPOJSA-N 1 3 341.499 2.526 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001026043335 719672776 /nfs/dbraw/zinc/67/27/76/719672776.db2.gz KOCBJDCUHWDEHV-UVPIGPOJSA-N 1 3 341.499 2.526 20 0 EFADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281133 719789575 /nfs/dbraw/zinc/78/95/75/719789575.db2.gz PEEFQLJYIVYIIQ-BGYRXZFFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982281133 719789576 /nfs/dbraw/zinc/78/95/76/719789576.db2.gz PEEFQLJYIVYIIQ-BGYRXZFFSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001026142778 719793994 /nfs/dbraw/zinc/79/39/94/719793994.db2.gz GWUVXTOEGCRAIG-MMIUEUIISA-N 1 3 344.503 2.523 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C[C@H]21 ZINC001026142778 719793996 /nfs/dbraw/zinc/79/39/96/719793996.db2.gz GWUVXTOEGCRAIG-MMIUEUIISA-N 1 3 344.503 2.523 20 0 EFADHO C[C@]1(C[NH3+])CCN(CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000261639706 719828551 /nfs/dbraw/zinc/82/85/51/719828551.db2.gz INGOUARDLNFZHE-OAHLLOKOSA-N 1 3 330.259 2.993 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296616 719844517 /nfs/dbraw/zinc/84/45/17/719844517.db2.gz WEZPWLMPRVDLRI-SESVDKBCSA-N 1 3 349.563 2.933 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)N(C)C)C[C@@]2(C)C1 ZINC000982296616 719844523 /nfs/dbraw/zinc/84/45/23/719844523.db2.gz WEZPWLMPRVDLRI-SESVDKBCSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297757 719844655 /nfs/dbraw/zinc/84/46/55/719844655.db2.gz PHFYIDRHTCSRQT-AHRSYUTCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)C3CCC3)C[C@@]2(C)C1 ZINC000982297757 719844662 /nfs/dbraw/zinc/84/46/62/719844662.db2.gz PHFYIDRHTCSRQT-AHRSYUTCSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982305999 719872878 /nfs/dbraw/zinc/87/28/78/719872878.db2.gz CSSBIKYMUDQANX-CCHSTPPMSA-N 1 3 335.536 2.543 20 0 EFADHO CC[C@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC(C)C3)C[C@]2(C)C1)N(C)C ZINC000982305999 719872882 /nfs/dbraw/zinc/87/28/82/719872882.db2.gz CSSBIKYMUDQANX-CCHSTPPMSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253927 719887136 /nfs/dbraw/zinc/88/71/36/719887136.db2.gz JNMNXOXZZABKJB-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)N1CCCC1 ZINC000982429223 720049779 /nfs/dbraw/zinc/04/97/79/720049779.db2.gz OUPNFWLGWSLNRW-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)(C(=O)N1C[C@]2(C)C[N@@H+](CCC3CC3)C[C@]2(C)C1)N1CCCC1 ZINC000982429223 720049787 /nfs/dbraw/zinc/04/97/87/720049787.db2.gz OUPNFWLGWSLNRW-OYRHEFFESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]12 ZINC001026267890 720080320 /nfs/dbraw/zinc/08/03/20/720080320.db2.gz RWVNGBHZTGOQPK-FGTMMUONSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCC3)[C@@H]2C1)N1CCCCC1 ZINC001026268309 720081160 /nfs/dbraw/zinc/08/11/60/720081160.db2.gz YEUYSYRVZNYBIO-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@H]1C ZINC000986353891 724649143 /nfs/dbraw/zinc/64/91/43/724649143.db2.gz JVRGEQWFHYROLC-JXFKEZNVSA-N 1 3 343.515 2.812 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCC4CCCC4)[C@@H]3C2)CCC1 ZINC001026282536 720128407 /nfs/dbraw/zinc/12/84/07/720128407.db2.gz UIFHTOOHVQQWOH-IPMKNSEASA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)[C@@H]1C ZINC000986357699 724650817 /nfs/dbraw/zinc/65/08/17/724650817.db2.gz UNJOERRGFZPVSV-APWZRJJASA-N 1 3 329.488 2.558 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1)C1CCC1 ZINC001026283445 720130960 /nfs/dbraw/zinc/13/09/60/720130960.db2.gz IDZHORYZYNXHGZ-YSIASYRMSA-N 1 3 345.531 2.798 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)cc1F ZINC000986358200 724651316 /nfs/dbraw/zinc/65/13/16/724651316.db2.gz XFZCKKNHUMIIBP-BEFAXECRSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c(C)c1 ZINC000986358504 724651582 /nfs/dbraw/zinc/65/15/82/724651582.db2.gz YRECOJYJZSLHHE-FXAWDEMLSA-N 1 3 343.515 2.867 20 0 EFADHO C[NH+](C)CC1CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893940840 720171984 /nfs/dbraw/zinc/17/19/84/720171984.db2.gz REVUGFBEYBQFAW-CQSZACIVSA-N 1 3 349.466 2.809 20 0 EFADHO CCOC(=O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893945728 720177637 /nfs/dbraw/zinc/17/76/37/720177637.db2.gz MFWOJCSQLMIYBI-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO CCOC(=O)[C@@](C)(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893945728 720177641 /nfs/dbraw/zinc/17/76/41/720177641.db2.gz MFWOJCSQLMIYBI-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO CCOC(=O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccccc1 ZINC000893945728 720177644 /nfs/dbraw/zinc/17/76/44/720177644.db2.gz MFWOJCSQLMIYBI-DLZDZTESSA-N 1 3 330.472 2.722 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)cc1 ZINC000986350828 724659265 /nfs/dbraw/zinc/65/92/65/724659265.db2.gz AHHOVEFIXYRYCG-JXFKEZNVSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)CN(C)C1CCC1 ZINC000986351578 724659679 /nfs/dbraw/zinc/65/96/79/724659679.db2.gz CRUAKCREOIIBPP-RDTXWAMCSA-N 1 3 349.906 2.903 20 0 EFADHO C[N@H+]1C[C@H]2CN(C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000894084355 720264765 /nfs/dbraw/zinc/26/47/65/720264765.db2.gz SLWZCUUKKWKZCS-FCEWJHQRSA-N 1 3 337.508 2.517 20 0 EFADHO C[N@@H+]1C[C@H]2CN(C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC000894084355 720264767 /nfs/dbraw/zinc/26/47/67/720264767.db2.gz SLWZCUUKKWKZCS-FCEWJHQRSA-N 1 3 337.508 2.517 20 0 EFADHO O=c1oc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095903 720280578 /nfs/dbraw/zinc/28/05/78/720280578.db2.gz RWYKEHSKUXXIOE-ZBFHGGJFSA-N 1 3 328.412 2.835 20 0 EFADHO O=c1oc2ccc(C[N@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095903 720280582 /nfs/dbraw/zinc/28/05/82/720280582.db2.gz RWYKEHSKUXXIOE-ZBFHGGJFSA-N 1 3 328.412 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029830556 724666948 /nfs/dbraw/zinc/66/69/48/724666948.db2.gz DXKTWCBKHLOXDX-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCCC2)C1)N(C)C ZINC001029830556 724666950 /nfs/dbraw/zinc/66/69/50/724666950.db2.gz DXKTWCBKHLOXDX-RTBURBONSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CCN1CCC(F)(F)F ZINC000947774592 720330617 /nfs/dbraw/zinc/33/06/17/720330617.db2.gz BXCFSCWRWAMJPW-UKRRQHHQSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029831163 724669364 /nfs/dbraw/zinc/66/93/64/724669364.db2.gz RAMKGTBVOZAGAX-IEBWSBKVSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1)N(C)C ZINC001029831163 724669366 /nfs/dbraw/zinc/66/93/66/724669366.db2.gz RAMKGTBVOZAGAX-IEBWSBKVSA-N 1 3 349.563 2.933 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000897346451 724670716 /nfs/dbraw/zinc/67/07/16/724670716.db2.gz TVGDODQTEXYLEQ-GOSISDBHSA-N 1 3 347.503 2.582 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC001028332830 720372789 /nfs/dbraw/zinc/37/27/89/720372789.db2.gz FFPXLVSNHAEIBH-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CC2)c1 ZINC001028332830 720372792 /nfs/dbraw/zinc/37/27/92/720372792.db2.gz FFPXLVSNHAEIBH-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333099 720373029 /nfs/dbraw/zinc/37/30/29/720373029.db2.gz DMFKWOHNBYINRE-GOSISDBHSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333099 720373033 /nfs/dbraw/zinc/37/30/33/720373033.db2.gz DMFKWOHNBYINRE-GOSISDBHSA-N 1 3 329.488 2.909 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001028332932 720373430 /nfs/dbraw/zinc/37/34/30/720373430.db2.gz HIWOXPPFWZJAKD-OUNSHVDWSA-N 1 3 343.515 2.989 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@@H]2CNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001028332932 720373436 /nfs/dbraw/zinc/37/34/36/720373436.db2.gz HIWOXPPFWZJAKD-OUNSHVDWSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333240 720373640 /nfs/dbraw/zinc/37/36/40/720373640.db2.gz GYZWLHXIQRHMMQ-SJLPKXTDSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333240 720373645 /nfs/dbraw/zinc/37/36/45/720373645.db2.gz GYZWLHXIQRHMMQ-SJLPKXTDSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333236 720373758 /nfs/dbraw/zinc/37/37/58/720373758.db2.gz GXJQXGNWXYZSGK-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CN(C)C ZINC001028333236 720373762 /nfs/dbraw/zinc/37/37/62/720373762.db2.gz GXJQXGNWXYZSGK-GOSISDBHSA-N 1 3 331.504 2.989 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC4CCCC4)[C@@H]3C2)C1 ZINC001026362095 720390155 /nfs/dbraw/zinc/39/01/55/720390155.db2.gz VCMNMSZKSBCEPU-IPMKNSEASA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@H]21 ZINC001026425053 720555017 /nfs/dbraw/zinc/55/50/17/720555017.db2.gz BCNVYZYTYGXVNQ-XUVXKRRUSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026427962 720559937 /nfs/dbraw/zinc/55/99/37/720559937.db2.gz XLXQOTVJZIMIIR-YSIASYRMSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839901 724689372 /nfs/dbraw/zinc/68/93/72/724689372.db2.gz LVJBDQGPOUCCMI-QZTJIDSGSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839901 724689373 /nfs/dbraw/zinc/68/93/73/724689373.db2.gz LVJBDQGPOUCCMI-QZTJIDSGSA-N 1 3 347.547 2.689 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001029840453 724690329 /nfs/dbraw/zinc/69/03/29/724690329.db2.gz ZJGUUBBDKGEQNZ-DOTOQJQBSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cs1 ZINC001029840453 724690331 /nfs/dbraw/zinc/69/03/31/724690331.db2.gz ZJGUUBBDKGEQNZ-DOTOQJQBSA-N 1 3 349.544 2.679 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001029840456 724690358 /nfs/dbraw/zinc/69/03/58/724690358.db2.gz ZJGUUBBDKGEQNZ-WBVHZDCISA-N 1 3 349.544 2.679 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cs1 ZINC001029840456 724690361 /nfs/dbraw/zinc/69/03/61/724690361.db2.gz ZJGUUBBDKGEQNZ-WBVHZDCISA-N 1 3 349.544 2.679 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841728 724693217 /nfs/dbraw/zinc/69/32/17/724693217.db2.gz LHGQFFSZUFRPFU-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC001029841728 724693218 /nfs/dbraw/zinc/69/32/18/724693218.db2.gz LHGQFFSZUFRPFU-FUHWJXTLSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001029841810 724694195 /nfs/dbraw/zinc/69/41/95/724694195.db2.gz MWZALOWYOCHMIO-RTBURBONSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001029841810 724694199 /nfs/dbraw/zinc/69/41/99/724694199.db2.gz MWZALOWYOCHMIO-RTBURBONSA-N 1 3 343.515 2.760 20 0 EFADHO C[N@H+](CC1CCCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842759 724698573 /nfs/dbraw/zinc/69/85/73/724698573.db2.gz WHTZPAPHTCZXJK-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO C[N@@H+](CC1CCCC1)C[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001029842759 724698574 /nfs/dbraw/zinc/69/85/74/724698574.db2.gz WHTZPAPHTCZXJK-GOSISDBHSA-N 1 3 335.536 2.689 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001029843011 724697990 /nfs/dbraw/zinc/69/79/90/724697990.db2.gz AILCRMZVIZSKIZ-XLIONFOSSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001029843011 724697992 /nfs/dbraw/zinc/69/79/92/724697992.db2.gz AILCRMZVIZSKIZ-XLIONFOSSA-N 1 3 345.531 2.870 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029843238 724702149 /nfs/dbraw/zinc/70/21/49/724702149.db2.gz GLBVGEGPNJHTDK-RDJZCZTQSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029843238 724702151 /nfs/dbraw/zinc/70/21/51/724702151.db2.gz GLBVGEGPNJHTDK-RDJZCZTQSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029843239 724702372 /nfs/dbraw/zinc/70/23/72/724702372.db2.gz GLBVGEGPNJHTDK-WBVHZDCISA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029843239 724702375 /nfs/dbraw/zinc/70/23/75/724702375.db2.gz GLBVGEGPNJHTDK-WBVHZDCISA-N 1 3 337.533 2.677 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001026560863 720748384 /nfs/dbraw/zinc/74/83/84/720748384.db2.gz HRVDAYQYRRNKJZ-ZLPCBKJTSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC001026560799 720748438 /nfs/dbraw/zinc/74/84/38/720748438.db2.gz DVZOBXYBTRDBRQ-OOHWJJMZSA-N 1 3 335.517 2.607 20 0 EFADHO Cc1ccc(C[NH2+]C2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)cc1 ZINC001026561127 720748662 /nfs/dbraw/zinc/74/86/62/720748662.db2.gz PDNQQRRDPIWOLU-QHGAOEGBSA-N 1 3 343.515 2.854 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CCC([NH2+]CCC3CCCC3)CC2)C1 ZINC001026560909 720748782 /nfs/dbraw/zinc/74/87/82/720748782.db2.gz JHQDSXSCKNCPPC-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029843381 724703505 /nfs/dbraw/zinc/70/35/05/724703505.db2.gz ITBPRUAAWOHPPV-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC001029843381 724703507 /nfs/dbraw/zinc/70/35/07/724703507.db2.gz ITBPRUAAWOHPPV-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029843631 724703865 /nfs/dbraw/zinc/70/38/65/724703865.db2.gz LJWPYBMOGNGCPV-OALUTQOASA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2)C1)N(C)C ZINC001029843631 724703867 /nfs/dbraw/zinc/70/38/67/724703867.db2.gz LJWPYBMOGNGCPV-OALUTQOASA-N 1 3 331.504 2.616 20 0 EFADHO O=C(NC[C@H]1CCN1CCC1=CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038394445 720785604 /nfs/dbraw/zinc/78/56/04/720785604.db2.gz RMTGIRMABYHLLD-LJQANCHMSA-N 1 3 345.531 2.943 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001029844164 724707125 /nfs/dbraw/zinc/70/71/25/724707125.db2.gz XKVVFDCVVRPPBZ-UXHICEINSA-N 1 3 345.531 2.870 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001029844164 724707127 /nfs/dbraw/zinc/70/71/27/724707127.db2.gz XKVVFDCVVRPPBZ-UXHICEINSA-N 1 3 345.531 2.870 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000982554610 720823437 /nfs/dbraw/zinc/82/34/37/720823437.db2.gz ZSNCYMODDJLUBX-DZFGPLHGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@]2(C)C[N@@H+](CC3CCCC3)C[C@]2(C)C1 ZINC000982554610 720823442 /nfs/dbraw/zinc/82/34/42/720823442.db2.gz ZSNCYMODDJLUBX-DZFGPLHGSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3=CCCCC3)C[C@]2(C)C1)N(C)C ZINC000982561567 720836429 /nfs/dbraw/zinc/83/64/29/720836429.db2.gz VHFVNZVRPXWHFH-SESVDKBCSA-N 1 3 347.547 2.997 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3=CCCCC3)C[C@]2(C)C1)N(C)C ZINC000982561567 720836435 /nfs/dbraw/zinc/83/64/35/720836435.db2.gz VHFVNZVRPXWHFH-SESVDKBCSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1 ZINC000982623954 720959290 /nfs/dbraw/zinc/95/92/90/720959290.db2.gz MXWNQLYUZIUXDG-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1 ZINC000982623954 720959292 /nfs/dbraw/zinc/95/92/92/720959292.db2.gz MXWNQLYUZIUXDG-SESVDKBCSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982625229 720969933 /nfs/dbraw/zinc/96/99/33/720969933.db2.gz ZKSPEALCXJMFIK-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCCN3C(C)C)C[C@@]2(C)C1 ZINC000982625229 720969935 /nfs/dbraw/zinc/96/99/35/720969935.db2.gz ZKSPEALCXJMFIK-RLLQIKCJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028537691 720987126 /nfs/dbraw/zinc/98/71/26/720987126.db2.gz QESYSQQDUOVMOZ-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2F)C1 ZINC001028537691 720987130 /nfs/dbraw/zinc/98/71/30/720987130.db2.gz QESYSQQDUOVMOZ-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028537920 720987763 /nfs/dbraw/zinc/98/77/63/720987763.db2.gz VLAGAIIETGMAQQ-IEBWSBKVSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028537920 720987766 /nfs/dbraw/zinc/98/77/66/720987766.db2.gz VLAGAIIETGMAQQ-IEBWSBKVSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537883 720988312 /nfs/dbraw/zinc/98/83/12/720988312.db2.gz UPFWZZIXVNUTRR-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537883 720988314 /nfs/dbraw/zinc/98/83/14/720988314.db2.gz UPFWZZIXVNUTRR-HKUYNNGSSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026732189 720994877 /nfs/dbraw/zinc/99/48/77/720994877.db2.gz AHEKFXHMQQWGSF-CRAIPNDOSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026735054 721005056 /nfs/dbraw/zinc/00/50/56/721005056.db2.gz YJCQDTYGTNTQKK-YLJYHZDGSA-N 1 3 343.515 2.842 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(Cl)c1 ZINC001026735113 721005271 /nfs/dbraw/zinc/00/52/71/721005271.db2.gz YTFLSKUWRDCBMN-YJBOKZPZSA-N 1 3 349.906 2.681 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001026734275 721008716 /nfs/dbraw/zinc/00/87/16/721008716.db2.gz MFAFPUGGVZOORH-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC001026734483 721009318 /nfs/dbraw/zinc/00/93/18/721009318.db2.gz ODAYZFIKEFMNJX-OXQOHEQNSA-N 1 3 341.499 2.596 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CCCCC2)CC1 ZINC001029944211 724726118 /nfs/dbraw/zinc/72/61/18/724726118.db2.gz FRZLTVRRVKMFJR-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCCCC2)CC1 ZINC001029944211 724726120 /nfs/dbraw/zinc/72/61/20/724726120.db2.gz FRZLTVRRVKMFJR-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ncoc1CNCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000894165099 721028183 /nfs/dbraw/zinc/02/81/83/721028183.db2.gz HUMBENBRKXIJLT-UHFFFAOYSA-N 1 3 342.487 2.983 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029947006 724729018 /nfs/dbraw/zinc/72/90/18/724729018.db2.gz DDHPEFOWKGAFFB-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001029947006 724729020 /nfs/dbraw/zinc/72/90/20/724729020.db2.gz DDHPEFOWKGAFFB-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029947285 724729316 /nfs/dbraw/zinc/72/93/16/724729316.db2.gz NCMAFCJAKRRVDH-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029947285 724729318 /nfs/dbraw/zinc/72/93/18/724729318.db2.gz NCMAFCJAKRRVDH-FQEVSTJZSA-N 1 3 343.515 2.760 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC001029947398 724729478 /nfs/dbraw/zinc/72/94/78/724729478.db2.gz PPIZHXKZPNRGFT-KRWDZBQOSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC001029947398 724729482 /nfs/dbraw/zinc/72/94/82/724729482.db2.gz PPIZHXKZPNRGFT-KRWDZBQOSA-N 1 3 335.517 2.513 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985640235 724744573 /nfs/dbraw/zinc/74/45/73/724744573.db2.gz WZPRLMVKJCEGFH-LJQANCHMSA-N 1 3 349.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC000985640235 724744576 /nfs/dbraw/zinc/74/45/76/724744576.db2.gz WZPRLMVKJCEGFH-LJQANCHMSA-N 1 3 349.494 2.835 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c(C)c1 ZINC001026885172 721293719 /nfs/dbraw/zinc/29/37/19/721293719.db2.gz GRYMXJNONNNWGA-GOSISDBHSA-N 1 3 343.515 2.726 20 0 EFADHO CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001026885655 721294297 /nfs/dbraw/zinc/29/42/97/721294297.db2.gz KVLODYIOXPBPSI-DAWZGUTISA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(CF)cc3)C2)CCC1 ZINC001026885824 721294536 /nfs/dbraw/zinc/29/45/36/721294536.db2.gz MZNSQURHDYENQZ-SFHVURJKSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001026885658 721294543 /nfs/dbraw/zinc/29/45/43/721294543.db2.gz KYWXQRJLWPEKSI-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001026885894 721295261 /nfs/dbraw/zinc/29/52/61/721295261.db2.gz OMINGDADEMXUQG-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001026888951 721297209 /nfs/dbraw/zinc/29/72/09/721297209.db2.gz PPUCTLZDQKTREJ-YLJYHZDGSA-N 1 3 343.515 2.582 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)C1CC1 ZINC001026889422 721297869 /nfs/dbraw/zinc/29/78/69/721297869.db2.gz WUOTVFKOVDJUCP-PKOBYXMFSA-N 1 3 347.547 2.735 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(CF)cc2)C1)C1CCC1 ZINC001026889955 721299006 /nfs/dbraw/zinc/29/90/06/721299006.db2.gz GAAJABDRCJNOIM-GOSISDBHSA-N 1 3 347.478 2.579 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC001026890557 721299448 /nfs/dbraw/zinc/29/94/48/721299448.db2.gz KWKHWDFYWKVWPV-INIZCTEOSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026890352 721299721 /nfs/dbraw/zinc/29/97/21/721299721.db2.gz JBQAAYKHSOGVGG-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1F ZINC001026886164 721305353 /nfs/dbraw/zinc/30/53/53/721305353.db2.gz RVXVFZKDNMOJFG-KRWDZBQOSA-N 1 3 347.478 2.557 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c1 ZINC001026887955 721307609 /nfs/dbraw/zinc/30/76/09/721307609.db2.gz YRDCBHBZKHCVFZ-AZUAARDMSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001026887956 721307645 /nfs/dbraw/zinc/30/76/45/721307645.db2.gz YRDCBHBZKHCVFZ-ICSRJNTNSA-N 1 3 343.515 2.527 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894225498 721309039 /nfs/dbraw/zinc/30/90/39/721309039.db2.gz CIPLIZYGHMIFSG-UAFMIMERSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000894225498 721309043 /nfs/dbraw/zinc/30/90/43/721309043.db2.gz CIPLIZYGHMIFSG-UAFMIMERSA-N 1 3 332.488 2.681 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC001026888684 721309250 /nfs/dbraw/zinc/30/92/50/721309250.db2.gz LFEUWKXPMNPKLU-MAUKXSAKSA-N 1 3 349.544 2.643 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001026900774 721311971 /nfs/dbraw/zinc/31/19/71/721311971.db2.gz COOMSFNGCNSKII-QUCCMNQESA-N 1 3 345.531 2.828 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000310098319 721323915 /nfs/dbraw/zinc/32/39/15/721323915.db2.gz WIUDMLDHASAIHJ-IYWMVGAKSA-N 1 3 332.488 2.681 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H]1OC ZINC000310098319 721323920 /nfs/dbraw/zinc/32/39/20/721323920.db2.gz WIUDMLDHASAIHJ-IYWMVGAKSA-N 1 3 332.488 2.681 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000985646744 724752229 /nfs/dbraw/zinc/75/22/29/724752229.db2.gz KNEVKADFPYSJQD-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000985646744 724752232 /nfs/dbraw/zinc/75/22/32/724752232.db2.gz KNEVKADFPYSJQD-MRXNPFEDSA-N 1 3 347.478 2.733 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985646999 724752467 /nfs/dbraw/zinc/75/24/67/724752467.db2.gz MWXYEQPCJXVUHW-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC000985646999 724752471 /nfs/dbraw/zinc/75/24/71/724752471.db2.gz MWXYEQPCJXVUHW-INIZCTEOSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001026916427 721343480 /nfs/dbraw/zinc/34/34/80/721343480.db2.gz HRFJZHXMKSZFNS-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC001026916952 721344306 /nfs/dbraw/zinc/34/43/06/721344306.db2.gz SUJLKIBGSBBYKP-GXTWGEPZSA-N 1 3 343.924 2.680 20 0 EFADHO O=C(NC[C@@H]1CCN(Cc2ccsc2)C1)C12CCC[NH+](CCC1)C2 ZINC001028625657 721346745 /nfs/dbraw/zinc/34/67/45/721346745.db2.gz WHYWXGKCWPTZQA-INIZCTEOSA-N 1 3 347.528 2.562 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@H+](C)CCC2CCCC2)CC1 ZINC000985648731 724756585 /nfs/dbraw/zinc/75/65/85/724756585.db2.gz YEMQPDRCHCXNSM-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([N@@H+](C)CCC2CCCC2)CC1 ZINC000985648731 724756587 /nfs/dbraw/zinc/75/65/87/724756587.db2.gz YEMQPDRCHCXNSM-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO CC1(C)C[N@H+](CC2CCCC2)C[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974866587 721487354 /nfs/dbraw/zinc/48/73/54/721487354.db2.gz ZBADYEYQEKYVLL-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO CC1(C)C[N@@H+](CC2CCCC2)C[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000974866587 721487355 /nfs/dbraw/zinc/48/73/55/721487355.db2.gz ZBADYEYQEKYVLL-OALUTQOASA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853053 724775156 /nfs/dbraw/zinc/77/51/56/724775156.db2.gz KMDGTJUCQFONFG-HUUCEWRRSA-N 1 3 344.434 2.633 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853053 724775158 /nfs/dbraw/zinc/77/51/58/724775158.db2.gz KMDGTJUCQFONFG-HUUCEWRRSA-N 1 3 344.434 2.633 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC001029971002 724776913 /nfs/dbraw/zinc/77/69/13/724776913.db2.gz BWMHKNDWOGXBFV-HXUWFJFHSA-N 1 3 343.515 2.697 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC001029971002 724776916 /nfs/dbraw/zinc/77/69/16/724776916.db2.gz BWMHKNDWOGXBFV-HXUWFJFHSA-N 1 3 343.515 2.697 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001029853752 724779660 /nfs/dbraw/zinc/77/96/60/724779660.db2.gz RBYIDPOBHFTPBX-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC001029853752 724779663 /nfs/dbraw/zinc/77/96/63/724779663.db2.gz RBYIDPOBHFTPBX-KRWDZBQOSA-N 1 3 340.471 2.550 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853870 724780800 /nfs/dbraw/zinc/78/08/00/724780800.db2.gz SBZXMJGACRIXGJ-SJORKVTESA-N 1 3 340.471 2.802 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853870 724780801 /nfs/dbraw/zinc/78/08/01/724780801.db2.gz SBZXMJGACRIXGJ-SJORKVTESA-N 1 3 340.471 2.802 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675123 724787104 /nfs/dbraw/zinc/78/71/04/724787104.db2.gz OGGJCQOQZVHNCY-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675123 724787107 /nfs/dbraw/zinc/78/71/07/724787107.db2.gz OGGJCQOQZVHNCY-INIZCTEOSA-N 1 3 340.471 2.945 20 0 EFADHO Clc1cc(C2CC[NH2+]CC2)nc(N2CCN(C3CCCC3)CC2)n1 ZINC001165028633 721854735 /nfs/dbraw/zinc/85/47/35/721854735.db2.gz OBDLZXOEEDTYAB-UHFFFAOYSA-N 1 3 349.910 2.662 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410137 722042620 /nfs/dbraw/zinc/04/26/20/722042620.db2.gz PQYYMQMKVRJBHU-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410137 722042622 /nfs/dbraw/zinc/04/26/22/722042622.db2.gz PQYYMQMKVRJBHU-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1CCc1ccc(Cl)cc1 ZINC001038410137 722042624 /nfs/dbraw/zinc/04/26/24/722042624.db2.gz PQYYMQMKVRJBHU-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccc(Cl)cc1 ZINC001038410137 722042625 /nfs/dbraw/zinc/04/26/25/722042625.db2.gz PQYYMQMKVRJBHU-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1ccc(Cl)cc1 ZINC001038410137 722042627 /nfs/dbraw/zinc/04/26/27/722042627.db2.gz PQYYMQMKVRJBHU-ZWKOTPCHSA-N 1 3 349.906 2.557 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001028846236 722044978 /nfs/dbraw/zinc/04/49/78/722044978.db2.gz ZWLSVRURBCACJP-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001028846236 722044981 /nfs/dbraw/zinc/04/49/81/722044981.db2.gz ZWLSVRURBCACJP-GJZGRUSLSA-N 1 3 349.441 2.640 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028918390 722095777 /nfs/dbraw/zinc/09/57/77/722095777.db2.gz GVFFVKCVTDKEOW-REEAJDFCSA-N 1 3 341.927 2.832 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001028918390 722095779 /nfs/dbraw/zinc/09/57/79/722095779.db2.gz GVFFVKCVTDKEOW-REEAJDFCSA-N 1 3 341.927 2.832 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001029000943 722617606 /nfs/dbraw/zinc/61/76/06/722617606.db2.gz MLFNYABDDSTDEB-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001029000943 722617608 /nfs/dbraw/zinc/61/76/08/722617608.db2.gz MLFNYABDDSTDEB-KRWDZBQOSA-N 1 3 329.488 2.600 20 0 EFADHO C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001029000488 722617737 /nfs/dbraw/zinc/61/77/37/722617737.db2.gz FWAMMDPFWBTCPC-BOSPYUDASA-N 1 3 335.879 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC3CCC3)C2)c1 ZINC001029001183 722618099 /nfs/dbraw/zinc/61/80/99/722618099.db2.gz QTCIEPKCWLMYBI-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC3CCC3)C2)c1 ZINC001029001183 722618101 /nfs/dbraw/zinc/61/81/01/722618101.db2.gz QTCIEPKCWLMYBI-SFHVURJKSA-N 1 3 329.488 2.600 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001029002941 722620966 /nfs/dbraw/zinc/62/09/66/722620966.db2.gz FAJIOZYLDZNUBP-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001029002941 722620969 /nfs/dbraw/zinc/62/09/69/722620969.db2.gz FAJIOZYLDZNUBP-NVXWUHKLSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1ncoc1CNCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000894373855 722646252 /nfs/dbraw/zinc/64/62/52/722646252.db2.gz ZZEGLXGPBCLKRA-UHFFFAOYSA-N 1 3 329.444 2.790 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)cs1 ZINC000939138283 728760716 /nfs/dbraw/zinc/76/07/16/728760716.db2.gz VTLVBKNFJWNTHF-RHSMWYFYSA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001029065147 722725051 /nfs/dbraw/zinc/72/50/51/722725051.db2.gz CXXGJWQJBZDHSA-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cs1 ZINC001029066110 722726234 /nfs/dbraw/zinc/72/62/34/722726234.db2.gz OVENBRULEJUBIV-YJBOKZPZSA-N 1 3 349.544 2.867 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000894588866 722788871 /nfs/dbraw/zinc/78/88/71/722788871.db2.gz VDFXEBSPURKYPP-GBESFXJTSA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000894588866 722788872 /nfs/dbraw/zinc/78/88/72/722788872.db2.gz VDFXEBSPURKYPP-GBESFXJTSA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000894588868 722789019 /nfs/dbraw/zinc/78/90/19/722789019.db2.gz VDFXEBSPURKYPP-IPMKNSEASA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000894588868 722789021 /nfs/dbraw/zinc/78/90/21/722789021.db2.gz VDFXEBSPURKYPP-IPMKNSEASA-N 1 3 348.535 2.662 20 0 EFADHO COCC[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894654380 722809491 /nfs/dbraw/zinc/80/94/91/722809491.db2.gz YBXTXRMCSTVCEM-CTNGQTDRSA-N 1 3 348.531 2.912 20 0 EFADHO CN1CC[NH+](CC2CCN(C/C=C/c3cccc(F)c3)CC2)CC1 ZINC000894765582 722841899 /nfs/dbraw/zinc/84/18/99/722841899.db2.gz KKVNAYKHMCACCA-HWKANZROSA-N 1 3 331.479 2.798 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000983663042 722849505 /nfs/dbraw/zinc/84/95/05/722849505.db2.gz WBDJNBYJPWBPOC-FHWLQOOXSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001029106941 722877564 /nfs/dbraw/zinc/87/75/64/722877564.db2.gz DOFMWFGEAMTPBA-JXFKEZNVSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107373 722878007 /nfs/dbraw/zinc/87/80/07/722878007.db2.gz LZKHZIRVWSUOGQ-OAHLLOKOSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107284 722878354 /nfs/dbraw/zinc/87/83/54/722878354.db2.gz KANNFTJHNRQVDC-AQFXKWCLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029107778 722878626 /nfs/dbraw/zinc/87/86/26/722878626.db2.gz QCDYGRPEPZVCPD-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1)N(C)C ZINC001029111465 722884385 /nfs/dbraw/zinc/88/43/85/722884385.db2.gz IJDMGKFXTLDBFP-CRAIPNDOSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1)N(C)C ZINC001029140059 722918937 /nfs/dbraw/zinc/91/89/37/722918937.db2.gz PBCZJQXVPKKVQH-VQIMIIECSA-N 1 3 337.552 2.980 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029144035 722922256 /nfs/dbraw/zinc/92/22/56/722922256.db2.gz ARHWDQBIAJXVBK-MSOLQXFVSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001029147342 722925433 /nfs/dbraw/zinc/92/54/33/722925433.db2.gz QJBRNQGPWAYGAF-DNVCBOLYSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001029147560 722925463 /nfs/dbraw/zinc/92/54/63/722925463.db2.gz WTJJNZLMQAZGDH-HOTGVXAUSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001029147341 722925516 /nfs/dbraw/zinc/92/55/16/722925516.db2.gz QJBRNQGPWAYGAF-BEFAXECRSA-N 1 3 341.515 2.824 20 0 EFADHO C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001029150082 722926719 /nfs/dbraw/zinc/92/67/19/722926719.db2.gz IMDXCVWJBDZESN-OAHLLOKOSA-N 1 3 330.476 2.669 20 0 EFADHO COc1cccc(CN2CCC3(C2)CC[NH2+]CC3)c1OC(F)F ZINC000262078347 722936471 /nfs/dbraw/zinc/93/64/71/722936471.db2.gz SVFQPGVCVDMKRH-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)CN3CCCC3)CC2)cs1 ZINC001029172744 722940895 /nfs/dbraw/zinc/94/08/95/722940895.db2.gz GSEGLEQIYCQBMT-INIZCTEOSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001029174248 722942345 /nfs/dbraw/zinc/94/23/45/722942345.db2.gz VTZIWNMTSNKPHI-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029306272 723321427 /nfs/dbraw/zinc/32/14/27/723321427.db2.gz NTTVETBUVXCZNQ-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029306272 723321431 /nfs/dbraw/zinc/32/14/31/723321431.db2.gz NTTVETBUVXCZNQ-CEXWTWQISA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001029306721 723321662 /nfs/dbraw/zinc/32/16/62/723321662.db2.gz YVSUADIMIUMCIB-OTWHNJEPSA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001029306721 723321666 /nfs/dbraw/zinc/32/16/66/723321666.db2.gz YVSUADIMIUMCIB-OTWHNJEPSA-N 1 3 347.547 2.971 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000896494736 723325614 /nfs/dbraw/zinc/32/56/14/723325614.db2.gz CMUJNGOMFWRSJW-WDSOQIARSA-N 1 3 329.488 2.592 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1Cc1ccccc1 ZINC000896494736 723325618 /nfs/dbraw/zinc/32/56/18/723325618.db2.gz CMUJNGOMFWRSJW-WDSOQIARSA-N 1 3 329.488 2.592 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)C1CC1 ZINC001029337870 723388101 /nfs/dbraw/zinc/38/81/01/723388101.db2.gz NENHHPUTDDLDCC-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)C1CC1 ZINC001029337870 723388104 /nfs/dbraw/zinc/38/81/04/723388104.db2.gz NENHHPUTDDLDCC-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001029346780 723404267 /nfs/dbraw/zinc/40/42/67/723404267.db2.gz AIEZISDANQIPOM-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001029346780 723404269 /nfs/dbraw/zinc/40/42/69/723404269.db2.gz AIEZISDANQIPOM-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000896626442 723407070 /nfs/dbraw/zinc/40/70/70/723407070.db2.gz VNEYYNULLFIWKD-LJQANCHMSA-N 1 3 347.503 2.535 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000896657606 723427196 /nfs/dbraw/zinc/42/71/96/723427196.db2.gz MGVANVNQWNOBHF-CRAIPNDOSA-N 1 3 349.519 2.827 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029375335 723477984 /nfs/dbraw/zinc/47/79/84/723477984.db2.gz LFCVRXYWDHVXNB-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCC1CC1 ZINC001029375335 723477983 /nfs/dbraw/zinc/47/79/83/723477983.db2.gz LFCVRXYWDHVXNB-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001029378998 723487537 /nfs/dbraw/zinc/48/75/37/723487537.db2.gz LKWXIRZBQVDRRN-KDURUIRLSA-N 1 3 345.531 2.870 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2)C1 ZINC000984798864 723494071 /nfs/dbraw/zinc/49/40/71/723494071.db2.gz CYBUKORDQCIECP-ZVZYQTTQSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC000984799845 723494696 /nfs/dbraw/zinc/49/46/96/723494696.db2.gz LREBPEAUIJTNKA-BXWFABGCSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC000984801137 723495162 /nfs/dbraw/zinc/49/51/62/723495162.db2.gz ZQYKFODYDGYFIL-MISYRCLQSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC000984804202 723495868 /nfs/dbraw/zinc/49/58/68/723495868.db2.gz MUDIOQRJOLBVGD-GPMSIDNRSA-N 1 3 347.478 2.603 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000984804511 723495996 /nfs/dbraw/zinc/49/59/96/723495996.db2.gz NRCURSJYEKSBSJ-MISYRCLQSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1ccccc1F ZINC000984805027 723496264 /nfs/dbraw/zinc/49/62/64/723496264.db2.gz RBJDVLMIQHHDKI-YVSFHVDLSA-N 1 3 347.478 2.713 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@@H](C[NH2+]CC3CCC(C)CC3)C2)C1 ZINC000984804985 723496484 /nfs/dbraw/zinc/49/64/84/723496484.db2.gz QTJBQJWKMMDARB-QLBHFUSHSA-N 1 3 335.536 2.639 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1)c1cccc(F)c1 ZINC000984806105 723496622 /nfs/dbraw/zinc/49/66/22/723496622.db2.gz XLIABUBQEUIOOO-RCJHGTSTSA-N 1 3 347.478 2.713 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC000984806456 723496732 /nfs/dbraw/zinc/49/67/32/723496732.db2.gz YALBDOARAKKRQP-QRFRQXIXSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC(C)(C)C3)C2)cc1 ZINC000984810688 723498832 /nfs/dbraw/zinc/49/88/32/723498832.db2.gz XLLLQBFEJPGEML-WGSAOQKQSA-N 1 3 343.515 2.711 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC000984812758 723499056 /nfs/dbraw/zinc/49/90/56/723499056.db2.gz JHMMGRMTWUQTKW-SAABIXHNSA-N 1 3 347.547 2.783 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000984802462 723499827 /nfs/dbraw/zinc/49/98/27/723499827.db2.gz AYVOPSQJUSURFY-NQYYFHDYSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1)c1ccccc1 ZINC000984802888 723500594 /nfs/dbraw/zinc/50/05/94/723500594.db2.gz FBCGNLJJTWRYNH-SFNKJDCFSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c(C)c1 ZINC000984802902 723500851 /nfs/dbraw/zinc/50/08/51/723500851.db2.gz FGYOFYWTCCGCBF-BJLQDIEVSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000939214557 728828704 /nfs/dbraw/zinc/82/87/04/728828704.db2.gz LTVIFNQPBYEHOX-FOIQADDNSA-N 1 3 348.450 2.742 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCCCC1 ZINC001029503071 723579238 /nfs/dbraw/zinc/57/92/38/723579238.db2.gz IQSRPLJUULOYPJ-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCCCC1 ZINC001029503071 723579239 /nfs/dbraw/zinc/57/92/39/723579239.db2.gz IQSRPLJUULOYPJ-QRQLOZEOSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](CNC(=O)N1CCN(CCC(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000918124612 728841203 /nfs/dbraw/zinc/84/12/03/728841203.db2.gz UTAGIURZBYDGBZ-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000985073927 723817513 /nfs/dbraw/zinc/81/75/13/723817513.db2.gz OHQNXIRDZPSEIB-QAQDUYKDSA-N 1 3 332.492 2.715 20 0 EFADHO O=C(NC[C@@H]1CCN1CC1CCC2(CC2)CC1)C12CCC[NH+]1CCC2 ZINC001038456066 723827081 /nfs/dbraw/zinc/82/70/81/723827081.db2.gz UVIMEGNWAOPUEG-SFHVURJKSA-N 1 3 345.531 2.776 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029552853 723875114 /nfs/dbraw/zinc/87/51/14/723875114.db2.gz FSWOWZVZOHCTNW-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)C1 ZINC001029552853 723875117 /nfs/dbraw/zinc/87/51/17/723875117.db2.gz FSWOWZVZOHCTNW-SLFFLAALSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000985147821 723883893 /nfs/dbraw/zinc/88/38/93/723883893.db2.gz FADVFMBUYQFXDF-OTRWWLKZSA-N 1 3 335.517 2.605 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000985147853 723884290 /nfs/dbraw/zinc/88/42/90/723884290.db2.gz FFETWYNWMLTTQP-GUDVDZBRSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cs1 ZINC000985148407 723885577 /nfs/dbraw/zinc/88/55/77/723885577.db2.gz IONZGBROCZYPOY-GZOSKZMVSA-N 1 3 349.544 2.914 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C)c2)C1 ZINC000985150896 723889657 /nfs/dbraw/zinc/88/96/57/723889657.db2.gz UGYGUXXSSRUAAG-VAMGGRTRSA-N 1 3 343.515 2.854 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC000985154602 723892911 /nfs/dbraw/zinc/89/29/11/723892911.db2.gz IDLPXLZFZMJKDY-ASIZZWRGSA-N 1 3 343.515 2.892 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000985154625 723893379 /nfs/dbraw/zinc/89/33/79/723893379.db2.gz JXCLJGVHNOEGFC-FHWLQOOXSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@H](CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)N(C)C ZINC000895293477 724003274 /nfs/dbraw/zinc/00/32/74/724003274.db2.gz MJASSDDEXGEDGW-BZUAXINKSA-N 1 3 327.513 2.952 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@@H](C)N(C)C ZINC000895296745 724006340 /nfs/dbraw/zinc/00/63/40/724006340.db2.gz DJSHRNGFZVVALG-GFCCVEGCSA-N 1 3 334.416 2.658 20 0 EFADHO C[C@@H](CC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1)N(C)C ZINC000895428056 724128264 /nfs/dbraw/zinc/12/82/64/724128264.db2.gz FNVSOEANYZUDCR-YJBOKZPZSA-N 1 3 327.513 2.953 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000985328140 724129600 /nfs/dbraw/zinc/12/96/00/724129600.db2.gz RCDDVKIPROKRSD-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000985328140 724129601 /nfs/dbraw/zinc/12/96/01/724129601.db2.gz RCDDVKIPROKRSD-GOSISDBHSA-N 1 3 349.906 2.857 20 0 EFADHO CCc1ccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985331926 724130876 /nfs/dbraw/zinc/13/08/76/724130876.db2.gz IRSNCKBKOIYRSS-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000985331926 724130878 /nfs/dbraw/zinc/13/08/78/724130878.db2.gz IRSNCKBKOIYRSS-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO C[C@@H](c1ccccc1F)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331364 724135083 /nfs/dbraw/zinc/13/50/83/724135083.db2.gz FMXBOJJULRLHDT-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1ccccc1F)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985331364 724135084 /nfs/dbraw/zinc/13/50/84/724135084.db2.gz FMXBOJJULRLHDT-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985332957 724138730 /nfs/dbraw/zinc/13/87/30/724138730.db2.gz VWIXKIYPTBGYNZ-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC000985332957 724138733 /nfs/dbraw/zinc/13/87/33/724138733.db2.gz VWIXKIYPTBGYNZ-SFHVURJKSA-N 1 3 333.520 2.584 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029596706 724201298 /nfs/dbraw/zinc/20/12/98/724201298.db2.gz WQDWJDJTMQUWKY-KDURUIRLSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029596706 724201301 /nfs/dbraw/zinc/20/13/01/724201301.db2.gz WQDWJDJTMQUWKY-KDURUIRLSA-N 1 3 341.499 2.837 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000895683637 724260489 /nfs/dbraw/zinc/26/04/89/724260489.db2.gz QCCSHLZJPGHYBB-UHFFFAOYSA-N 1 3 331.460 2.715 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000895786369 724313564 /nfs/dbraw/zinc/31/35/64/724313564.db2.gz UZEAKJWVOVOIOY-APWZRJJASA-N 1 3 347.503 2.582 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029671630 724359821 /nfs/dbraw/zinc/35/98/21/724359821.db2.gz ALJXVNPVYAHEEZ-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029671630 724359824 /nfs/dbraw/zinc/35/98/24/724359824.db2.gz ALJXVNPVYAHEEZ-QUCCMNQESA-N 1 3 343.515 2.678 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029671835 724360253 /nfs/dbraw/zinc/36/02/53/724360253.db2.gz CNNZDUMVSRHBLL-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c1 ZINC001029671835 724360254 /nfs/dbraw/zinc/36/02/54/724360254.db2.gz CNNZDUMVSRHBLL-VQTJNVASSA-N 1 3 343.515 2.624 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671914 724360359 /nfs/dbraw/zinc/36/03/59/724360359.db2.gz FFGAQOTXBXESFC-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001029671914 724360364 /nfs/dbraw/zinc/36/03/64/724360364.db2.gz FFGAQOTXBXESFC-OALUTQOASA-N 1 3 347.478 2.531 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786383 724884418 /nfs/dbraw/zinc/88/44/18/724884418.db2.gz AVBXFZBMVWHQAU-QGZVFWFLSA-N 1 3 329.488 2.766 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985786383 724884420 /nfs/dbraw/zinc/88/44/20/724884420.db2.gz AVBXFZBMVWHQAU-QGZVFWFLSA-N 1 3 329.488 2.766 20 0 EFADHO Cc1cc(CN2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)cs1 ZINC001031817801 728902579 /nfs/dbraw/zinc/90/25/79/728902579.db2.gz ULVMZQZCCYBYLD-UHFFFAOYSA-N 1 3 340.452 2.566 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791360 724888596 /nfs/dbraw/zinc/88/85/96/724888596.db2.gz FJFJMBBXTMPKKY-UHFFFAOYSA-N 1 3 347.478 2.675 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791360 724888598 /nfs/dbraw/zinc/88/85/98/724888598.db2.gz FJFJMBBXTMPKKY-UHFFFAOYSA-N 1 3 347.478 2.675 20 0 EFADHO C[N@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791933 724889296 /nfs/dbraw/zinc/88/92/96/724889296.db2.gz JUQFXKQBQWCMHO-HXUWFJFHSA-N 1 3 341.499 2.693 20 0 EFADHO C[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985791933 724889297 /nfs/dbraw/zinc/88/92/97/724889297.db2.gz JUQFXKQBQWCMHO-HXUWFJFHSA-N 1 3 341.499 2.693 20 0 EFADHO C[C@@H]1[C@@H](NCc2ccccc2Cl)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986808661 724892761 /nfs/dbraw/zinc/89/27/61/724892761.db2.gz JJNKFOTUCOVMBA-KDOFPFPSSA-N 1 3 349.906 2.761 20 0 EFADHO CC(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985805112 724898793 /nfs/dbraw/zinc/89/87/93/724898793.db2.gz UBTKANFABMSAHN-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000985805112 724898797 /nfs/dbraw/zinc/89/87/97/724898797.db2.gz UBTKANFABMSAHN-UHFFFAOYSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986937144 724960995 /nfs/dbraw/zinc/96/09/95/724960995.db2.gz IIJGXFIUFNWNHT-IEBWSBKVSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)c1 ZINC000986939752 724962369 /nfs/dbraw/zinc/96/23/69/724962369.db2.gz OJDKEQRDBFEMAD-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940494 724962583 /nfs/dbraw/zinc/96/25/83/724962583.db2.gz QKVUTDDLCFPZGA-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986942567 724963530 /nfs/dbraw/zinc/96/35/30/724963530.db2.gz UPXGTZKFDOPHEO-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1[C@H]([NH2+]CCC2CCCC2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986943552 724978167 /nfs/dbraw/zinc/97/81/67/724978167.db2.gz XFTHODBFIDAZRB-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001029995417 724982272 /nfs/dbraw/zinc/98/22/72/724982272.db2.gz JMZGDNIEVAENKC-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001029995417 724982274 /nfs/dbraw/zinc/98/22/74/724982274.db2.gz JMZGDNIEVAENKC-QGZVFWFLSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CCCC3)CC2)C1 ZINC001029995501 724982484 /nfs/dbraw/zinc/98/24/84/724982484.db2.gz NBGDXGNGSOLERW-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CCCC3)CC2)C1 ZINC001029995501 724982486 /nfs/dbraw/zinc/98/24/86/724982486.db2.gz NBGDXGNGSOLERW-QGZVFWFLSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC001029995774 724982988 /nfs/dbraw/zinc/98/29/88/724982988.db2.gz YKMSIDKJWALHJF-QGZVFWFLSA-N 1 3 349.563 2.935 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC(C[N@@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC001029995774 724982991 /nfs/dbraw/zinc/98/29/91/724982991.db2.gz YKMSIDKJWALHJF-QGZVFWFLSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1ccc(C[N@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001029999763 724994186 /nfs/dbraw/zinc/99/41/86/724994186.db2.gz KJSSTJHRVKMCSR-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO Cc1ccc(C[N@@H+](C)CC2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001029999763 724994190 /nfs/dbraw/zinc/99/41/90/724994190.db2.gz KJSSTJHRVKMCSR-UHFFFAOYSA-N 1 3 340.471 2.631 20 0 EFADHO C[N@H+](CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001029999796 724994366 /nfs/dbraw/zinc/99/43/66/724994366.db2.gz LLJDAKNHDAXBBI-FGTMMUONSA-N 1 3 344.503 2.559 20 0 EFADHO C[N@@H+](CC1CCN(C(=O)Cc2c[nH]cn2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001029999796 724994367 /nfs/dbraw/zinc/99/43/67/724994367.db2.gz LLJDAKNHDAXBBI-FGTMMUONSA-N 1 3 344.503 2.559 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC000994950179 728928490 /nfs/dbraw/zinc/92/84/90/728928490.db2.gz YOUSZRXFZRAXJB-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO C[N@H+](CC1CCN(C(=O)CN2CCCC2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001030013184 725436203 /nfs/dbraw/zinc/43/62/03/725436203.db2.gz AAPXZXUNNBLYAW-HSALFYBXSA-N 1 3 347.547 2.689 20 0 EFADHO C[N@@H+](CC1CCN(C(=O)CN2CCCC2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001030013184 725436205 /nfs/dbraw/zinc/43/62/05/725436205.db2.gz AAPXZXUNNBLYAW-HSALFYBXSA-N 1 3 347.547 2.689 20 0 EFADHO C[N@@H+](Cc1cccc(F)c1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013370 725436770 /nfs/dbraw/zinc/43/67/70/725436770.db2.gz FZIMFMKEPWNMPZ-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[N@H+](Cc1cccc(F)c1)CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001030013370 725436771 /nfs/dbraw/zinc/43/67/71/725436771.db2.gz FZIMFMKEPWNMPZ-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1 ZINC000987063696 725473620 /nfs/dbraw/zinc/47/36/20/725473620.db2.gz DFCQZIMQPDCKGB-DNVCBOLYSA-N 1 3 340.471 2.684 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CC2CCC(C)(C)CC2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066636 725477606 /nfs/dbraw/zinc/47/76/06/725477606.db2.gz KUHSAMZCPLDCLO-YOEHRIQHSA-N 1 3 332.492 2.748 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186766 725601511 /nfs/dbraw/zinc/60/15/11/725601511.db2.gz HCDNQZPLXDTUTM-ZYSHUDEJSA-N 1 3 339.499 2.721 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992186766 725601512 /nfs/dbraw/zinc/60/15/12/725601512.db2.gz HCDNQZPLXDTUTM-ZYSHUDEJSA-N 1 3 339.499 2.721 20 0 EFADHO CCC[N@@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992194178 725608387 /nfs/dbraw/zinc/60/83/87/725608387.db2.gz WQTSJGXYUVTWNK-ZYSHUDEJSA-N 1 3 339.499 2.722 20 0 EFADHO CCC[N@H+]1CC[C@]2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CCC[C@H]12 ZINC000992194178 725608388 /nfs/dbraw/zinc/60/83/88/725608388.db2.gz WQTSJGXYUVTWNK-ZYSHUDEJSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC000987251205 725612024 /nfs/dbraw/zinc/61/20/24/725612024.db2.gz ARJHNIQHXOIXPG-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)[C@H]2C)cs1 ZINC000987252612 725612833 /nfs/dbraw/zinc/61/28/33/725612833.db2.gz FUCUQSICYMSSNO-FUHWJXTLSA-N 1 3 349.544 2.867 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255385 725613909 /nfs/dbraw/zinc/61/39/09/725613909.db2.gz OPEQRKOTVPQLHE-NVXWUHKLSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255386 725614006 /nfs/dbraw/zinc/61/40/06/725614006.db2.gz OPEQRKOTVPQLHE-RDJZCZTQSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987256936 725615279 /nfs/dbraw/zinc/61/52/79/725615279.db2.gz UOWRODAZOFXSEH-QUCCMNQESA-N 1 3 343.515 2.540 20 0 EFADHO CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001040725497 725711850 /nfs/dbraw/zinc/71/18/50/725711850.db2.gz ARVGYSORTHEKOK-SJLPKXTDSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](F)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040726160 725717996 /nfs/dbraw/zinc/71/79/96/725717996.db2.gz JCXYQOATXLGUCZ-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@H](F)C[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040726154 725718233 /nfs/dbraw/zinc/71/82/33/725718233.db2.gz JCXYQOATXLGUCZ-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC2(CCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001040727437 725727012 /nfs/dbraw/zinc/72/70/12/725727012.db2.gz RBAQBIUGJSZBCS-MRXNPFEDSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC000987526741 725735519 /nfs/dbraw/zinc/73/55/19/725735519.db2.gz RWFJVYMWBDFYAM-PBHICJAKSA-N 1 3 335.879 2.515 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1 ZINC000987523994 725739213 /nfs/dbraw/zinc/73/92/13/725739213.db2.gz KXNHGNJWHXBSHQ-FXAWDEMLSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CCc2ccccc2Cl)CCN1C(=O)CN1CCCC1 ZINC000987532387 725741127 /nfs/dbraw/zinc/74/11/27/725741127.db2.gz PSTXUYCOBXQHBI-QAPCUYQASA-N 1 3 349.906 2.557 20 0 EFADHO C[C@H]1[C@@H]([NH2+]CCc2ccc(Cl)cc2)CCN1C(=O)CN1CCCC1 ZINC000987534207 725741693 /nfs/dbraw/zinc/74/16/93/725741693.db2.gz VUINDRLUOFAXEJ-YJBOKZPZSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@H]4CC[N@@H+](C)C4)CCC[C@@H]23)cs1 ZINC000992488944 725887667 /nfs/dbraw/zinc/88/76/67/725887667.db2.gz DMOJYARNHPDRSE-YQVWRLOYSA-N 1 3 347.528 2.621 20 0 EFADHO Cc1cc(CN2CC[C@]3(NC(=O)[C@H]4CC[N@H+](C)C4)CCC[C@@H]23)cs1 ZINC000992488944 725887670 /nfs/dbraw/zinc/88/76/70/725887670.db2.gz DMOJYARNHPDRSE-YQVWRLOYSA-N 1 3 347.528 2.621 20 0 EFADHO CC(C)[N@@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992515672 725918950 /nfs/dbraw/zinc/91/89/50/725918950.db2.gz ZOJWZVQLGWIYGO-AZUAARDMSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[N@H+]1CC[C@]2(NC(=O)c3cccc(CN(C)C)c3)CCC[C@H]12 ZINC000992515672 725918954 /nfs/dbraw/zinc/91/89/54/725918954.db2.gz ZOJWZVQLGWIYGO-AZUAARDMSA-N 1 3 329.488 2.883 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NCC1([NH+](C)C)CC1)c1ccsc1 ZINC000914065802 725996235 /nfs/dbraw/zinc/99/62/35/725996235.db2.gz GAYAFWRAAJTXRB-OAHLLOKOSA-N 1 3 338.521 2.524 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@H]2C1)N1CCCCC1 ZINC000992696279 726117217 /nfs/dbraw/zinc/11/72/17/726117217.db2.gz XEEDDAKNQAERAN-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CCN1CCC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000914316320 726233817 /nfs/dbraw/zinc/23/38/17/726233817.db2.gz PYNJJULPHZRAKT-TVRKMHQQSA-N 1 3 336.524 2.567 20 0 EFADHO CC(C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000925280952 726260834 /nfs/dbraw/zinc/26/08/34/726260834.db2.gz CBOTYMQRXRJZLS-PMACEKPBSA-N 1 3 337.552 2.730 20 0 EFADHO CC1(C)CCN(CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CCC4)[C@H]3C2)C1 ZINC000992821576 726265835 /nfs/dbraw/zinc/26/58/35/726265835.db2.gz VWIHTSJSEBMVHU-FHWLQOOXSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]21 ZINC000992867794 726304448 /nfs/dbraw/zinc/30/44/48/726304448.db2.gz YVOMUDDKJWYAKC-GUDVDZBRSA-N 1 3 335.536 2.591 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@@H]3C2)c1 ZINC000992921021 726339206 /nfs/dbraw/zinc/33/92/06/726339206.db2.gz BSQJKDWZXGCPAI-OTWHNJEPSA-N 1 3 347.478 2.548 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992923826 726341020 /nfs/dbraw/zinc/34/10/20/726341020.db2.gz IINNODUGHRLYBF-NZSAHSFTSA-N 1 3 329.488 2.598 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC000992925433 726342221 /nfs/dbraw/zinc/34/22/21/726342221.db2.gz KIVPXPNXQPXINH-YSIASYRMSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC000992925429 726342235 /nfs/dbraw/zinc/34/22/35/726342235.db2.gz KIVPXPNXQPXINH-DFQSSKMNSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597152 726855653 /nfs/dbraw/zinc/85/56/53/726855653.db2.gz NHNNHHWPQOVHQW-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)C1 ZINC001015597152 726855656 /nfs/dbraw/zinc/85/56/56/726855656.db2.gz NHNNHHWPQOVHQW-UXHICEINSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084042 726864218 /nfs/dbraw/zinc/86/42/18/726864218.db2.gz LSWRRLORJNCYNA-SJLPKXTDSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000907084042 726864219 /nfs/dbraw/zinc/86/42/19/726864219.db2.gz LSWRRLORJNCYNA-SJLPKXTDSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000907862200 727034797 /nfs/dbraw/zinc/03/47/97/727034797.db2.gz MTRSCAQSRNRNIL-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000907862200 727034801 /nfs/dbraw/zinc/03/48/01/727034801.db2.gz MTRSCAQSRNRNIL-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)c1ccc(F)cc1 ZINC000908205788 727131588 /nfs/dbraw/zinc/13/15/88/727131588.db2.gz AMZYIARHTKWYSL-SQNIBIBYSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccc(F)cc1 ZINC000908205788 727131592 /nfs/dbraw/zinc/13/15/92/727131592.db2.gz AMZYIARHTKWYSL-SQNIBIBYSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)c1ccc(F)cc1 ZINC000908205785 727131647 /nfs/dbraw/zinc/13/16/47/727131647.db2.gz AMZYIARHTKWYSL-BZSNNMDCSA-N 1 3 333.451 2.562 20 0 EFADHO CN(C)C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccc(F)cc1 ZINC000908205785 727131649 /nfs/dbraw/zinc/13/16/49/727131649.db2.gz AMZYIARHTKWYSL-BZSNNMDCSA-N 1 3 333.451 2.562 20 0 EFADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@@H+]1CC1CCCC1 ZINC000993529490 727298597 /nfs/dbraw/zinc/29/85/97/727298597.db2.gz OEIYUDOJWFCGOF-FUHWJXTLSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@H]1[C@H](NC(=O)C23CCCN2CCC3)CCC[N@H+]1CC1CCCC1 ZINC000993529490 727298598 /nfs/dbraw/zinc/29/85/98/727298598.db2.gz OEIYUDOJWFCGOF-FUHWJXTLSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccccc1 ZINC000993928446 727554680 /nfs/dbraw/zinc/55/46/80/727554680.db2.gz NGQQNGAKZCGTCD-YLJYHZDGSA-N 1 3 343.515 2.888 20 0 EFADHO CC[NH2+]Cc1ccccc1NC(=O)c1cccc2c1OCCNC2 ZINC000911684997 727581951 /nfs/dbraw/zinc/58/19/51/727581951.db2.gz KGIBJHVVNWFBPU-UHFFFAOYSA-N 1 3 325.412 2.530 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C ZINC000911932111 727625051 /nfs/dbraw/zinc/62/50/51/727625051.db2.gz UVFNLWUVGFIOCG-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCCN1C ZINC000911932111 727625052 /nfs/dbraw/zinc/62/50/52/727625052.db2.gz UVFNLWUVGFIOCG-IBGZPJMESA-N 1 3 346.519 2.810 20 0 EFADHO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000733163463 727708651 /nfs/dbraw/zinc/70/86/51/727708651.db2.gz FXFVHIVZZKBYKE-MJGOQNOKSA-N 1 3 349.494 2.740 20 0 EFADHO CCC[C@@H]1CCCN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000912418481 727710097 /nfs/dbraw/zinc/71/00/97/727710097.db2.gz HORDQQMWGKMJIV-GOSISDBHSA-N 1 3 336.524 2.519 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CCC([NH+]2CCC2)CC1 ZINC000912871220 727753221 /nfs/dbraw/zinc/75/32/21/727753221.db2.gz NQEXOWYFXNRRRG-UHFFFAOYSA-N 1 3 341.499 2.983 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@@H+]1CCCF ZINC000994464540 727761214 /nfs/dbraw/zinc/76/12/14/727761214.db2.gz OGZSDZNIXCCSAW-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2cccc(CN(C)C)c2)CCC[N@H+]1CCCF ZINC000994464540 727761215 /nfs/dbraw/zinc/76/12/15/727761215.db2.gz OGZSDZNIXCCSAW-QAPCUYQASA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@@H+]1CCCF ZINC000994484893 727767265 /nfs/dbraw/zinc/76/72/65/727767265.db2.gz JGLDMWRLSCASBD-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1[C@H](NC(=O)c2ccccc2CN(C)C)CCC[N@H+]1CCCF ZINC000994484893 727767266 /nfs/dbraw/zinc/76/72/66/727767266.db2.gz JGLDMWRLSCASBD-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994483944 727768381 /nfs/dbraw/zinc/76/83/81/727768381.db2.gz IIMXDTIBYCLIJX-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994483944 727768383 /nfs/dbraw/zinc/76/83/83/727768383.db2.gz IIMXDTIBYCLIJX-QFBILLFUSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc2c1OCO2 ZINC000925437102 727795964 /nfs/dbraw/zinc/79/59/64/727795964.db2.gz JTBBFNFBPDPMSF-XHSDSOJGSA-N 1 3 334.460 2.955 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186287 727904638 /nfs/dbraw/zinc/90/46/38/727904638.db2.gz IBGCFQMAMJUXOI-KRWDZBQOSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186287 727904639 /nfs/dbraw/zinc/90/46/39/727904639.db2.gz IBGCFQMAMJUXOI-KRWDZBQOSA-N 1 3 334.508 2.914 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2)C1)N1CCCC1 ZINC000995047715 727913359 /nfs/dbraw/zinc/91/33/59/727913359.db2.gz AGDKMQWMQVUXLM-RTBURBONSA-N 1 3 343.515 2.936 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1)N1CCCC1 ZINC000995051816 727923256 /nfs/dbraw/zinc/92/32/56/727923256.db2.gz COPJXMXLNLQQBN-NVXWUHKLSA-N 1 3 349.544 2.997 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)N1CCCC1 ZINC000995057479 727951265 /nfs/dbraw/zinc/95/12/65/727951265.db2.gz VNEYITDEDURSGY-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)N1CCCC1 ZINC000995057482 727951303 /nfs/dbraw/zinc/95/13/03/727951303.db2.gz VNEYITDEDURSGY-ZWKOTPCHSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)c2cccc(Br)c2)CC[N@@H+]1C ZINC000158117248 728304074 /nfs/dbraw/zinc/30/40/74/728304074.db2.gz ISMOQVOCAHCAAQ-GLQYFDAESA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@H](NC[C@H](O)c2cccc(Br)c2)CC[N@H+]1C ZINC000158117248 728304077 /nfs/dbraw/zinc/30/40/77/728304077.db2.gz ISMOQVOCAHCAAQ-GLQYFDAESA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@H+](CC3CCCC3)CC2)C1 ZINC000948767182 728368424 /nfs/dbraw/zinc/36/84/24/728368424.db2.gz RPJRVNNCJKQFPG-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC000948767182 728368426 /nfs/dbraw/zinc/36/84/26/728368426.db2.gz RPJRVNNCJKQFPG-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770595 728377065 /nfs/dbraw/zinc/37/70/65/728377065.db2.gz JPLQJIYWYVVGQW-IRXDYDNUSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770595 728377067 /nfs/dbraw/zinc/37/70/67/728377067.db2.gz JPLQJIYWYVVGQW-IRXDYDNUSA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948829644 728530142 /nfs/dbraw/zinc/53/01/42/728530142.db2.gz SDCSLPXIFHVNEP-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948829644 728530145 /nfs/dbraw/zinc/53/01/45/728530145.db2.gz SDCSLPXIFHVNEP-MSOLQXFVSA-N 1 3 341.515 2.922 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)o1 ZINC000062252933 728563689 /nfs/dbraw/zinc/56/36/89/728563689.db2.gz VYTDIFYAOYGDHX-HOTGVXAUSA-N 1 3 346.475 2.957 20 0 EFADHO CC1CCN(CC(=O)N(C)[C@@H]2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC000948886374 728630537 /nfs/dbraw/zinc/63/05/37/728630537.db2.gz MACNNRFNBLUORC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCN(CC(=O)N(C)[C@@H]2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000948886374 728630538 /nfs/dbraw/zinc/63/05/38/728630538.db2.gz MACNNRFNBLUORC-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCC[C@H](C[NH2+]Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000063917413 728657019 /nfs/dbraw/zinc/65/70/19/728657019.db2.gz ZFXPENHYKAKLCA-QGZVFWFLSA-N 1 3 348.487 2.677 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(C1)CCN(C/C=C/Cl)CC2)[NH+](C)C ZINC001040835493 728955535 /nfs/dbraw/zinc/95/55/35/728955535.db2.gz KLMMNPWIWALJNF-DXWDOBMASA-N 1 3 341.927 2.640 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040850076 729102492 /nfs/dbraw/zinc/10/24/92/729102492.db2.gz WUCXDPYYICCWRR-XOYTVWKISA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC2(C1)CCN(C/C=C\Cl)CC2 ZINC001040850076 729102493 /nfs/dbraw/zinc/10/24/93/729102493.db2.gz WUCXDPYYICCWRR-XOYTVWKISA-N 1 3 339.911 2.538 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1[NH2+]CC1CCC1 ZINC000939807496 729131064 /nfs/dbraw/zinc/13/10/64/729131064.db2.gz ZARBLTSHRGMIDQ-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665928 729200317 /nfs/dbraw/zinc/20/03/17/729200317.db2.gz JGTMSLSVBDAYGB-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1cc(C)cc(CN2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665928 729200319 /nfs/dbraw/zinc/20/03/19/729200319.db2.gz JGTMSLSVBDAYGB-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](CNC(=O)CCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000920768341 729229579 /nfs/dbraw/zinc/22/95/79/729229579.db2.gz ZOVMWXGVYSJUQV-IBGZPJMESA-N 1 3 331.504 2.542 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001031714785 729497504 /nfs/dbraw/zinc/49/75/04/729497504.db2.gz MVQYITDRRBPQOC-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN([C@H](C)c2cccc(C)c2)C1 ZINC001031714785 729497507 /nfs/dbraw/zinc/49/75/07/729497507.db2.gz MVQYITDRRBPQOC-YLJYHZDGSA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031729257 729560680 /nfs/dbraw/zinc/56/06/80/729560680.db2.gz IOTYXGWTKVWIFW-XLIONFOSSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN([C@H](C)c3ccccc3)C2)C1 ZINC001031729257 729560682 /nfs/dbraw/zinc/56/06/82/729560682.db2.gz IOTYXGWTKVWIFW-XLIONFOSSA-N 1 3 343.515 2.774 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422508 1126206853 /nfs/dbraw/zinc/20/68/53/1126206853.db2.gz XNUZSBFJIKIHAI-CVYDXHPNSA-N 1 3 337.533 2.836 20 0 EFADHO CC(C)c1ncc(CN[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@@H]2O)s1 ZINC001550422508 1126206855 /nfs/dbraw/zinc/20/68/55/1126206855.db2.gz XNUZSBFJIKIHAI-CVYDXHPNSA-N 1 3 337.533 2.836 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001569986953 1085823419 /nfs/dbraw/zinc/82/34/19/1085823419.db2.gz MMKWMFCLXKUCDZ-UYAOXDASSA-N 1 3 345.531 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001570000494 1085841330 /nfs/dbraw/zinc/84/13/30/1085841330.db2.gz OIEBBNYCYBYXDV-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1)N(C)C ZINC001570000331 1085841842 /nfs/dbraw/zinc/84/18/42/1085841842.db2.gz KYSWOQSQXAHZFW-QFBILLFUSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1)N(C)C ZINC001571694962 1087063332 /nfs/dbraw/zinc/06/33/32/1087063332.db2.gz YLODVICGAHSPDK-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@H](C(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1)N(C)C ZINC001571694962 1087063337 /nfs/dbraw/zinc/06/33/37/1087063337.db2.gz YLODVICGAHSPDK-LJQANCHMSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503860 1087800920 /nfs/dbraw/zinc/80/09/20/1087800920.db2.gz MCGMPAAWOGHUSP-FUMNGEBKSA-N 1 3 343.515 2.777 20 0 EFADHO CC(C)C[C@@H](N)C(=O)N[C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001573503860 1087800936 /nfs/dbraw/zinc/80/09/36/1087800936.db2.gz MCGMPAAWOGHUSP-FUMNGEBKSA-N 1 3 343.515 2.777 20 0 EFADHO Brc1ccc(C2CC([NH2+]C[C@@H]3CNCCCO3)C2)cc1 ZINC001574447928 1088005069 /nfs/dbraw/zinc/00/50/69/1088005069.db2.gz IRVIGCNLSHXGDJ-BCLQGDPASA-N 1 3 339.277 2.663 20 0 EFADHO [NH3+]CCc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC001646738972 1088195351 /nfs/dbraw/zinc/19/53/51/1088195351.db2.gz ZLSOOAKLEIMZJH-QGZVFWFLSA-N 1 3 343.496 2.816 20 0 EFADHO CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001646741965 1088201814 /nfs/dbraw/zinc/20/18/14/1088201814.db2.gz JPMHHXVMMBOVSJ-LPHOPBHVSA-N 1 3 347.503 2.541 20 0 EFADHO CC(=O)Nc1ccccc1CN1CCC([C@@H]2[NH2+]CC23CCC3)CC1 ZINC001575028334 1088204132 /nfs/dbraw/zinc/20/41/32/1088204132.db2.gz AWCMWXLBNVKKQG-IBGZPJMESA-N 1 3 327.472 2.999 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC001646746104 1088205397 /nfs/dbraw/zinc/20/53/97/1088205397.db2.gz JVROEKFBORUXGR-MOPGFXCFSA-N 1 3 325.456 2.829 20 0 EFADHO CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCc2cc(N)ccn2)CC1 ZINC001575124507 1088254122 /nfs/dbraw/zinc/25/41/22/1088254122.db2.gz DCEZKJHMTMWWQT-UHFFFAOYSA-N 1 3 347.507 2.706 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CNC3)C2)CC1 ZINC001575171554 1088286857 /nfs/dbraw/zinc/28/68/57/1088286857.db2.gz FJEBPSBJAOHSAM-QGZVFWFLSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@@H+](CC3CNC3)C2)CC1 ZINC001575171554 1088286875 /nfs/dbraw/zinc/28/68/75/1088286875.db2.gz FJEBPSBJAOHSAM-QGZVFWFLSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(CC3C[NH2+]C3)C2)CC1 ZINC001575171554 1088286895 /nfs/dbraw/zinc/28/68/95/1088286895.db2.gz FJEBPSBJAOHSAM-QGZVFWFLSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3[C@@H]4CCC[NH2+][C@H]4C3(C)C)C2)C1 ZINC001575173287 1088287282 /nfs/dbraw/zinc/28/72/82/1088287282.db2.gz URDLKQNEQKXVKU-BZUAXINKSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3[C@@H]4CCCN[C@H]4C3(C)C)C2)C1 ZINC001575173287 1088287299 /nfs/dbraw/zinc/28/72/99/1088287299.db2.gz URDLKQNEQKXVKU-BZUAXINKSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@@H]3[C@H]4CCC[NH2+][C@@H]4C3(C)C)C2)C1 ZINC001575173289 1088288495 /nfs/dbraw/zinc/28/84/95/1088288495.db2.gz URDLKQNEQKXVKU-HRCADAONSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC([NH2+][C@@H]3[C@H]4CCCN[C@@H]4C3(C)C)C2)C1 ZINC001575173289 1088288511 /nfs/dbraw/zinc/28/85/11/1088288511.db2.gz URDLKQNEQKXVKU-HRCADAONSA-N 1 3 349.519 2.752 20 0 EFADHO CC(C)(C)c1cccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC001575277775 1088360053 /nfs/dbraw/zinc/36/00/53/1088360053.db2.gz ZTWXZQNBNOSMQG-SFHVURJKSA-N 1 3 331.504 2.804 20 0 EFADHO CC(C)([NH3+])Cn1c(C2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001575368119 1088418199 /nfs/dbraw/zinc/41/81/99/1088418199.db2.gz UCFSUMWNYAMCMA-UHFFFAOYSA-N 1 3 348.539 2.594 20 0 EFADHO CC(C)[C@](C)(C[NH3+])NC[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001575410174 1088449705 /nfs/dbraw/zinc/44/97/05/1088449705.db2.gz NMKUDZPKDYOVSM-HIFRSBDPSA-N 1 3 335.275 2.696 20 0 EFADHO CC(C)[C@@H](CN)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423318 1088458429 /nfs/dbraw/zinc/45/84/29/1088458429.db2.gz RUIOMPJOMCQDMM-KBPBESRZSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H](CN)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423318 1088458434 /nfs/dbraw/zinc/45/84/34/1088458434.db2.gz RUIOMPJOMCQDMM-KBPBESRZSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@@H](C[NH3+])CN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC001575423318 1088458452 /nfs/dbraw/zinc/45/84/52/1088458452.db2.gz RUIOMPJOMCQDMM-KBPBESRZSA-N 1 3 338.883 2.616 20 0 EFADHO CC(C)[C@H](CN[C@@H]1CC[NH2+]CC(C)(C)C1)ONC(=O)OC(C)(C)C ZINC001575435754 1088470499 /nfs/dbraw/zinc/47/04/99/1088470499.db2.gz WZBCNUDKQLRXKM-CABCVRRESA-N 1 3 343.512 2.835 20 0 EFADHO CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC001575534247 1088540917 /nfs/dbraw/zinc/54/09/17/1088540917.db2.gz GPUIPXZWXBKYAY-IMFGXOCKSA-N 1 3 331.504 2.634 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)N(C)C)cc1 ZINC001575649098 1088609670 /nfs/dbraw/zinc/60/96/70/1088609670.db2.gz SUHZLZLSROOLKD-NSISKUIASA-N 1 3 345.531 2.992 20 0 EFADHO C[C@H](C1CC1)N(C(=O)CN1CCC([C@@H]2CCC[NH2+]CC2)CC1)C1CC1 ZINC001575910337 1088765575 /nfs/dbraw/zinc/76/55/75/1088765575.db2.gz ZBDNRUGJXYHOCG-SJLPKXTDSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCONC(=O)OC(C)(C)C ZINC001575934412 1088783805 /nfs/dbraw/zinc/78/38/05/1088783805.db2.gz PRWXOMCRWXFMRH-CABCVRRESA-N 1 3 329.485 2.733 20 0 EFADHO C[C@H](CCC[NH3+])NCc1ccc(F)cc1I ZINC001575951795 1088800593 /nfs/dbraw/zinc/80/05/93/1088800593.db2.gz HZSWVCKLULKWAV-SECBINFHSA-N 1 3 336.192 2.647 20 0 EFADHO C[C@H](CNCc1ccc(N2CC[NH2+]CC2)o1)Oc1ccccc1Cl ZINC001576033780 1088869886 /nfs/dbraw/zinc/86/98/86/1088869886.db2.gz VYRDTQRGWRQQRK-CQSZACIVSA-N 1 3 349.862 2.900 20 0 EFADHO C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H](c1ccccc1)N(C)C ZINC001576187205 1088988272 /nfs/dbraw/zinc/98/82/72/1088988272.db2.gz YZJNXEOUROLODN-XYQVYWHCSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@H](NC(=O)C[C@@H]([NH3+])Cc1ccccc1)[C@H](c1ccccc1)N(C)C ZINC001576197529 1088994036 /nfs/dbraw/zinc/99/40/36/1088994036.db2.gz BFSGELNTRXCTFJ-NBHGPNQESA-N 1 3 339.483 2.754 20 0 EFADHO C[C@H](NCc1cccc(C[NH3+])c1)c1ccc(N2CCCNC2=O)cc1 ZINC001576250793 1089042985 /nfs/dbraw/zinc/04/29/85/1089042985.db2.gz JFFYTSVASGHFPO-HNNXBMFYSA-N 1 3 338.455 2.916 20 0 EFADHO O=C1[C@@H](N2CCCC3(CC[NH2+]CC3)C2)CCN1c1cccc(Cl)c1 ZINC001647243763 1089154949 /nfs/dbraw/zinc/15/49/49/1089154949.db2.gz PUISSBVJDDZVGM-KRWDZBQOSA-N 1 3 347.890 2.911 20 0 EFADHO CC1(C)[C@H](N)C[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC001576381817 1089167225 /nfs/dbraw/zinc/16/72/25/1089167225.db2.gz GXFCZWQTGLFIRR-VUCTXSBTSA-N 1 3 346.425 2.859 20 0 EFADHO CC1(C)C[NH2+]CC[C@H]1NC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC001576479849 1089285649 /nfs/dbraw/zinc/28/56/49/1089285649.db2.gz HCKGIGNLGRGMHV-ZWKOTPCHSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@@H]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)CN1C(=O)OC(C)(C)C ZINC001576671294 1089388125 /nfs/dbraw/zinc/38/81/25/1089388125.db2.gz XFMAPJROIDVUJF-IIDMSEBBSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H]1CC[C@H](NC[C@]23CCC[C@H]2[NH2+]CC3)CN1C(=O)OC(C)(C)C ZINC001576669893 1089388684 /nfs/dbraw/zinc/38/86/84/1089388684.db2.gz BSKODXREKPTVIB-YIOZNXECSA-N 1 3 337.508 2.896 20 0 EFADHO C[C@@H]1OC(C)(C)N[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001576907851 1089521796 /nfs/dbraw/zinc/52/17/96/1089521796.db2.gz MLGYSBUQGHCKTK-KCITZHQASA-N 1 3 331.504 2.742 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001576970866 1089552716 /nfs/dbraw/zinc/55/27/16/1089552716.db2.gz MNGKYFNBOYGEKV-OXJNMPFZSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@H](C)C[C@@H](N)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001576970866 1089552719 /nfs/dbraw/zinc/55/27/19/1089552719.db2.gz MNGKYFNBOYGEKV-OXJNMPFZSA-N 1 3 343.515 2.799 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@@H]1CCCCC[NH2+]1)c1ccco1 ZINC001577004454 1089577600 /nfs/dbraw/zinc/57/76/00/1089577600.db2.gz VDUWIULWVKFPRC-JYJNAYRXSA-N 1 3 336.480 2.540 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NC[C@H]1CCCCC[NH2+]1)c1ccco1 ZINC001577004455 1089578276 /nfs/dbraw/zinc/57/82/76/1089578276.db2.gz VDUWIULWVKFPRC-XHSDSOJGSA-N 1 3 336.480 2.540 20 0 EFADHO CN1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001647616537 1089629228 /nfs/dbraw/zinc/62/92/28/1089629228.db2.gz LJWRCTQFPYRELE-LJQANCHMSA-N 1 3 329.488 2.887 20 0 EFADHO CC[C@H](NCc1ccc2c(c1)C[NH2+]CC2)C(=O)NCc1cccs1 ZINC001577176159 1089721265 /nfs/dbraw/zinc/72/12/65/1089721265.db2.gz UTMXPNPBWVVTIW-SFHVURJKSA-N 1 3 343.496 2.578 20 0 EFADHO CC[C@@H](NCc1cccc2c1CC[NH2+]C2)C(=O)NCc1cccs1 ZINC001577175654 1089722753 /nfs/dbraw/zinc/72/27/53/1089722753.db2.gz DWEMSEFPDIEBOV-GOSISDBHSA-N 1 3 343.496 2.578 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001577300411 1089810445 /nfs/dbraw/zinc/81/04/45/1089810445.db2.gz SHIXRVGYSZHEJC-UFYCRDLUSA-N 1 3 343.515 2.886 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)[C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC001577495310 1090007929 /nfs/dbraw/zinc/00/79/29/1090007929.db2.gz CLYWLPMTFPKPNL-CJNGLKHVSA-N 1 3 325.884 2.695 20 0 EFADHO CCC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1CCNCC1 ZINC001577518836 1090030296 /nfs/dbraw/zinc/03/02/96/1090030296.db2.gz ANBFRDNETIPFDR-KRWDZBQOSA-N 1 3 333.501 2.954 20 0 EFADHO CCC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1CCNCC1 ZINC001577518836 1090030310 /nfs/dbraw/zinc/03/03/10/1090030310.db2.gz ANBFRDNETIPFDR-KRWDZBQOSA-N 1 3 333.501 2.954 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)Cc1nc2c(s1)CNCC2 ZINC001577524168 1090033954 /nfs/dbraw/zinc/03/39/54/1090033954.db2.gz YCFAEMQGJAUKOG-UHFFFAOYSA-N 1 3 336.549 2.877 20 0 EFADHO CCC[NH2+][C@H](C)C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001577548510 1090046183 /nfs/dbraw/zinc/04/61/83/1090046183.db2.gz WXLZYTPPFYDXSC-IEBWSBKVSA-N 1 3 331.504 2.886 20 0 EFADHO CCCOc1c(OC)cc(CCNC[C@]2(C)CC[NH2+]C2)cc1OC ZINC001577579859 1090059917 /nfs/dbraw/zinc/05/99/17/1090059917.db2.gz MLNCMMXMZDWCND-IBGZPJMESA-N 1 3 336.476 2.624 20 0 EFADHO CCc1[nH]c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C(=O)OC ZINC001578243242 1090316637 /nfs/dbraw/zinc/31/66/37/1090316637.db2.gz JYUKRDIEZRONRY-HUUCEWRRSA-N 1 3 333.476 2.575 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)N(C)C)cc1 ZINC001578253633 1090318427 /nfs/dbraw/zinc/31/84/27/1090318427.db2.gz HNTIKUCWXDKHOJ-MSOLQXFVSA-N 1 3 333.520 2.992 20 0 EFADHO CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001578418631 1090367597 /nfs/dbraw/zinc/36/75/97/1090367597.db2.gz MNXGXZGAKVUJFM-GOSISDBHSA-N 1 3 346.519 2.538 20 0 EFADHO CN(C)Cc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]CC[C@@H]32)cc1C(F)(F)F ZINC001578420953 1090368726 /nfs/dbraw/zinc/36/87/26/1090368726.db2.gz ICNNGOOHTLCJQD-GZBFAFLISA-N 1 3 341.377 2.561 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]([NH3+])C1CCCCCC1)Cc1ccco1 ZINC001578466912 1090379816 /nfs/dbraw/zinc/37/98/16/1090379816.db2.gz YKCSEPHNGKMGMC-SFHVURJKSA-N 1 3 335.492 2.858 20 0 EFADHO CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)C1(F)CC[NH2+]CC1 ZINC001578483211 1090383654 /nfs/dbraw/zinc/38/36/54/1090383654.db2.gz VFMADMLDJWFJCG-GOSISDBHSA-N 1 3 347.478 2.591 20 0 EFADHO CN1CCC(Oc2ccc(Cl)cc2NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC001578525780 1090392553 /nfs/dbraw/zinc/39/25/53/1090392553.db2.gz PVXZIZGFQGVGIK-AWEZNQCLSA-N 1 3 349.862 2.799 20 0 EFADHO COC[C@]1(C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CCCCN1 ZINC001578978218 1090493321 /nfs/dbraw/zinc/49/33/21/1090493321.db2.gz OYWOUXQXENPRIG-FQEVSTJZSA-N 1 3 345.487 2.688 20 0 EFADHO COc1cc(F)cc(C[C@@H](C)NCc2nc3c(s2)C[NH2+]CC3)c1 ZINC001579158870 1090530038 /nfs/dbraw/zinc/53/00/38/1090530038.db2.gz QOQDDUCMENYHAH-LLVKDONJSA-N 1 3 335.448 2.657 20 0 EFADHO COc1ccccc1-c1noc([C@H](C)NC[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001579296471 1090583868 /nfs/dbraw/zinc/58/38/68/1090583868.db2.gz AFQKTPBDHOQIBW-RDBSUJKOSA-N 1 3 330.432 2.784 20 0 EFADHO CSc1ccc([C@@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001579387546 1090602406 /nfs/dbraw/zinc/60/24/06/1090602406.db2.gz GIMMPSDSQCNZGI-DOTOQJQBSA-N 1 3 337.533 2.891 20 0 EFADHO CSc1ccc([C@H](CNC(=O)C[C@@H]([NH3+])CC(C)C)N(C)C)cc1 ZINC001579387548 1090602488 /nfs/dbraw/zinc/60/24/88/1090602488.db2.gz GIMMPSDSQCNZGI-RDJZCZTQSA-N 1 3 337.533 2.891 20 0 EFADHO C[C@@H]1C[N@H+](C[C@@]2(C)CCCNC2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001579440090 1090612664 /nfs/dbraw/zinc/61/26/64/1090612664.db2.gz ODCXDLYMOCYPQF-MDZRGWNJSA-N 1 3 339.524 2.859 20 0 EFADHO C[C@@H]1C[N@@H+](C[C@@]2(C)CCCNC2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001579440090 1090612669 /nfs/dbraw/zinc/61/26/69/1090612669.db2.gz ODCXDLYMOCYPQF-MDZRGWNJSA-N 1 3 339.524 2.859 20 0 EFADHO Cc1cc(C2OCCO2)c(C)cc1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC001579589775 1090638726 /nfs/dbraw/zinc/63/87/26/1090638726.db2.gz CGFTXRUMFHGLGQ-HNNXBMFYSA-N 1 3 340.414 2.683 20 0 EFADHO Cc1cc(Cl)cc(C)c1CNC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001579604836 1090640980 /nfs/dbraw/zinc/64/09/80/1090640980.db2.gz ABXZKVOCDGLSIL-OAHLLOKOSA-N 1 3 349.828 2.883 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)N2CCCC2)cc1 ZINC001579667628 1090657188 /nfs/dbraw/zinc/65/71/88/1090657188.db2.gz OTCGQFKEGMALOD-OALUTQOASA-N 1 3 341.499 2.780 20 0 EFADHO Cc1ccc(CC2CCN(Cc3c(C[NH3+])cnn3C)CC2)cc1C ZINC001579684607 1090662148 /nfs/dbraw/zinc/66/21/48/1090662148.db2.gz MYJPLWAJBNCJGV-UHFFFAOYSA-N 1 3 326.488 2.950 20 0 EFADHO Cc1cccc2[nH]cc(CC[NH2+]Cc3nc4c(s3)CNCC4)c21 ZINC001579777290 1090684821 /nfs/dbraw/zinc/68/48/21/1090684821.db2.gz YZXSLHJTSDLWAO-UHFFFAOYSA-N 1 3 326.469 2.911 20 0 EFADHO Cc1c(C[C@H](C[NH3+])CN(Cc2ccccc2C)C2CC2)cnn1C ZINC001579799816 1090690668 /nfs/dbraw/zinc/69/06/68/1090690668.db2.gz AQJIRDXXHPFPAF-QGZVFWFLSA-N 1 3 326.488 2.819 20 0 EFADHO Cc1nccn1CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC001579883324 1090713584 /nfs/dbraw/zinc/71/35/84/1090713584.db2.gz PIJWAGWMCBEPOV-PMACEKPBSA-N 1 3 326.488 2.864 20 0 EFADHO Cc1nccn1CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC001579883324 1090713587 /nfs/dbraw/zinc/71/35/87/1090713587.db2.gz PIJWAGWMCBEPOV-PMACEKPBSA-N 1 3 326.488 2.864 20 0 EFADHO Clc1cncc(Cl)c1CNCCCCCN1CC[NH2+]CC1 ZINC001579940307 1090728611 /nfs/dbraw/zinc/72/86/11/1090728611.db2.gz ZOISKJRGOIZECL-UHFFFAOYSA-N 1 3 331.291 2.554 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C2CCCC2)n1 ZINC001579961705 1090733832 /nfs/dbraw/zinc/73/38/32/1090733832.db2.gz RHHHJINMZLOSEW-QUCCMNQESA-N 1 3 346.519 2.796 20 0 EFADHO FC(F)Cn1cc(CN2CCC([C@H]3CCC[NH2+]CC3)CC2)cn1 ZINC001580024128 1090744394 /nfs/dbraw/zinc/74/43/94/1090744394.db2.gz QITAVFOTIJXPEU-HNNXBMFYSA-N 1 3 326.435 2.750 20 0 EFADHO NC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC001580261895 1090839816 /nfs/dbraw/zinc/83/98/16/1090839816.db2.gz MOYHHTGATHZSIW-UHOSZYNNSA-N 1 3 329.488 2.677 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC001580261895 1090839823 /nfs/dbraw/zinc/83/98/23/1090839823.db2.gz MOYHHTGATHZSIW-UHOSZYNNSA-N 1 3 329.488 2.677 20 0 EFADHO O=C([C@H]1C[C@]12CCC[NH2+]C2)N(CCN1CCCC1)c1ccccc1 ZINC001580479784 1090913654 /nfs/dbraw/zinc/91/36/54/1090913654.db2.gz XOVLYZOEBOMBQD-QUCCMNQESA-N 1 3 327.472 2.505 20 0 EFADHO O=C1CCCN1Cc1cccc(CNCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001580845245 1091026952 /nfs/dbraw/zinc/02/69/52/1091026952.db2.gz ILSKMQSCCRPPIJ-UHFFFAOYSA-N 1 3 349.478 2.745 20 0 EFADHO O=C1CCCN1Cc1cccc(CNCc2cccc3c2CC[NH2+]C3)c1 ZINC001580845250 1091027089 /nfs/dbraw/zinc/02/70/89/1091027089.db2.gz ISUBKNMOCLHMPY-UHFFFAOYSA-N 1 3 349.478 2.745 20 0 EFADHO O=c1cc[nH]c2cc(CNCc3cc4c(s3)CC[NH2+]C4)ccc12 ZINC001580876491 1091031126 /nfs/dbraw/zinc/03/11/26/1091031126.db2.gz MTJZSNZUYCRSPS-UHFFFAOYSA-N 1 3 325.437 2.525 20 0 EFADHO O[C@@H]1CNCC[C@H]1[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC001580880070 1091033736 /nfs/dbraw/zinc/03/37/36/1091033736.db2.gz JAPFJMYFHJAPLB-WJCJLTOMSA-N 1 3 338.451 2.591 20 0 EFADHO c1ccc2c(c1)CN(CCO[C@@H]1CCCCO1)CC1(CC[NH2+]CC1)O2 ZINC001580896147 1091038884 /nfs/dbraw/zinc/03/88/84/1091038884.db2.gz ZRUOXVKJRULFIL-LJQANCHMSA-N 1 3 346.471 2.546 20 0 EFADHO c1c(C[NH2+]CC[C@@H]2COc3ccccc3O2)sc2c1CNCC2 ZINC001580896862 1091039198 /nfs/dbraw/zinc/03/91/98/1091039198.db2.gz VQZVECJQSVCFQQ-CQSZACIVSA-N 1 3 330.453 2.714 20 0 EFADHO c1c(C[NH2+]CC[C@H]2COc3ccccc3O2)sc2c1CNCC2 ZINC001580896861 1091039230 /nfs/dbraw/zinc/03/92/30/1091039230.db2.gz VQZVECJQSVCFQQ-AWEZNQCLSA-N 1 3 330.453 2.714 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448116 1092756762 /nfs/dbraw/zinc/75/67/62/1092756762.db2.gz OIPXRCTYGJDPRD-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC001075448116 1092756764 /nfs/dbraw/zinc/75/67/64/1092756764.db2.gz OIPXRCTYGJDPRD-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)CC(C)(C)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001207286961 1092757839 /nfs/dbraw/zinc/75/78/39/1092757839.db2.gz WKUMQGFSIKFGBG-UHFFFAOYSA-N 1 3 327.513 2.906 20 0 EFADHO CCN1CCN(c2ccc(F)cc2[C@H](C)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC001649880885 1092760788 /nfs/dbraw/zinc/76/07/88/1092760788.db2.gz NIRLFNKMUXDLPR-DLBZAZTESA-N 1 3 348.510 2.618 20 0 EFADHO CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001087213357 1092872663 /nfs/dbraw/zinc/87/26/63/1092872663.db2.gz QCEFQHXIMDIPFW-JTDSTZFVSA-N 1 3 341.515 2.824 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006442 1092874152 /nfs/dbraw/zinc/87/41/52/1092874152.db2.gz HBRFBWIXONXGEF-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC(=O)[C@H](NC(C)C)c2ccc(OC)cc2)C1 ZINC001650006442 1092874161 /nfs/dbraw/zinc/87/41/61/1092874161.db2.gz HBRFBWIXONXGEF-VQIMIIECSA-N 1 3 347.503 2.582 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccccc1F)N(C)C ZINC001087213650 1092888428 /nfs/dbraw/zinc/88/84/28/1092888428.db2.gz FXZBTBINRNNGQP-AYBZRNKSSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001087214938 1092901427 /nfs/dbraw/zinc/90/14/27/1092901427.db2.gz WZXOSGJLWSMBSP-KBMXLJTQSA-N 1 3 345.478 2.589 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CCCN(C)C1)c1ccccc1 ZINC001650075319 1092933700 /nfs/dbraw/zinc/93/37/00/1092933700.db2.gz IUPKHAPKUNHEPJ-FUHWJXTLSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001167626768 1093146091 /nfs/dbraw/zinc/14/60/91/1093146091.db2.gz GYMZKUYVOLAABG-LJQANCHMSA-N 1 3 331.504 2.588 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203408242 1093196601 /nfs/dbraw/zinc/19/66/01/1093196601.db2.gz TWZALKBWCQUFPB-ACCUITESSA-N 1 3 336.307 2.618 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458662 1093231810 /nfs/dbraw/zinc/23/18/10/1093231810.db2.gz MNRMNUIESQYYND-MRXNPFEDSA-N 1 3 332.492 2.703 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001075458662 1093231817 /nfs/dbraw/zinc/23/18/17/1093231817.db2.gz MNRMNUIESQYYND-MRXNPFEDSA-N 1 3 332.492 2.703 20 0 EFADHO CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001590141573 1093284358 /nfs/dbraw/zinc/28/43/58/1093284358.db2.gz JPGVOTIAJCUKEB-UHFFFAOYSA-N 1 3 344.438 2.502 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461768 1093330676 /nfs/dbraw/zinc/33/06/76/1093330676.db2.gz RCRNFOPGQMCDRZ-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC001075461768 1093330686 /nfs/dbraw/zinc/33/06/86/1093330686.db2.gz RCRNFOPGQMCDRZ-SFHVURJKSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465751 1093436359 /nfs/dbraw/zinc/43/63/59/1093436359.db2.gz IKIOHSKQWQFECO-WMLDXEAASA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001590465751 1093436364 /nfs/dbraw/zinc/43/63/64/1093436364.db2.gz IKIOHSKQWQFECO-WMLDXEAASA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465751 1093436366 /nfs/dbraw/zinc/43/63/66/1093436366.db2.gz IKIOHSKQWQFECO-WMLDXEAASA-N 1 3 328.464 2.639 20 0 EFADHO CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001590465751 1093436369 /nfs/dbraw/zinc/43/63/69/1093436369.db2.gz IKIOHSKQWQFECO-WMLDXEAASA-N 1 3 328.464 2.639 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)nnn2C ZINC001650627672 1093475338 /nfs/dbraw/zinc/47/53/38/1093475338.db2.gz QOJATZOPRHHKHG-QFBILLFUSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)nnn2C ZINC001650627672 1093475342 /nfs/dbraw/zinc/47/53/42/1093475342.db2.gz QOJATZOPRHHKHG-QFBILLFUSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)nnn2C ZINC001650627673 1093475375 /nfs/dbraw/zinc/47/53/75/1093475375.db2.gz QOJATZOPRHHKHG-VQIMIIECSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc2c(c1)nnn2C ZINC001650627673 1093475381 /nfs/dbraw/zinc/47/53/81/1093475381.db2.gz QOJATZOPRHHKHG-VQIMIIECSA-N 1 3 349.482 2.969 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCCc2cc(-c3nnn[n-]3)ccc21)C1CC[NH2+]CC1 ZINC001591769071 1093851899 /nfs/dbraw/zinc/85/18/99/1093851899.db2.gz SKNPGXVPSNRFHO-UGSOOPFHSA-N 1 3 340.475 2.612 20 0 EFADHO C[C@H]([NH2+][C@H]1CCCCc2cc(-c3nn[n-]n3)ccc21)C1CC[NH2+]CC1 ZINC001591769071 1093851907 /nfs/dbraw/zinc/85/19/07/1093851907.db2.gz SKNPGXVPSNRFHO-UGSOOPFHSA-N 1 3 340.475 2.612 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CCCF)C1)N(C)C ZINC001211620206 1094358055 /nfs/dbraw/zinc/35/80/55/1094358055.db2.gz IQUARSOONLXTCC-OTWHNJEPSA-N 1 3 349.494 2.516 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001481095234 1094458205 /nfs/dbraw/zinc/45/82/05/1094458205.db2.gz GWSUDCDSENUFKW-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCCC2CCCC2)C1)C1CCC1 ZINC001481095234 1094458208 /nfs/dbraw/zinc/45/82/08/1094458208.db2.gz GWSUDCDSENUFKW-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1CC[NH2+]Cc1ccccc1 ZINC001104676278 1094589017 /nfs/dbraw/zinc/58/90/17/1094589017.db2.gz COEBSRYLPPFGHW-WSTZPKSXSA-N 1 3 343.515 2.745 20 0 EFADHO CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104681938 1094616159 /nfs/dbraw/zinc/61/61/59/1094616159.db2.gz TZMWJRBTOKYKOQ-IPMKNSEASA-N 1 3 337.552 2.983 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC1CCCC1 ZINC001104682298 1094618582 /nfs/dbraw/zinc/61/85/82/1094618582.db2.gz KNCRZSJVOZHZKH-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC2CCCC2)C1)N(C)C ZINC001104690495 1094644187 /nfs/dbraw/zinc/64/41/87/1094644187.db2.gz GQCCCJRRWWCKIM-QRQLOZEOSA-N 1 3 337.552 2.981 20 0 EFADHO CN(CCNC(=O)CCC[NH+]1CCCC1)[C@@H]1CCc2c1cccc2F ZINC001480950565 1094760866 /nfs/dbraw/zinc/76/08/66/1094760866.db2.gz KCTJURULOWQGHM-LJQANCHMSA-N 1 3 347.478 2.737 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1CC[NH2+]CC1CCC(C)CC1 ZINC001104729120 1094764026 /nfs/dbraw/zinc/76/40/26/1094764026.db2.gz OROPLPNJIQOPTP-GPQLOAJWSA-N 1 3 346.519 2.853 20 0 EFADHO CC(C)=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112530034 1094770214 /nfs/dbraw/zinc/77/02/14/1094770214.db2.gz ZYDUDSIPGWNPIG-HBFSDRIKSA-N 1 3 333.520 2.513 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529988 1094772421 /nfs/dbraw/zinc/77/24/21/1094772421.db2.gz YJRDYPZEXYEZGO-BJLQDIEVSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529989 1094772816 /nfs/dbraw/zinc/77/28/16/1094772816.db2.gz YJRDYPZEXYEZGO-HBFSDRIKSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(C)C)C1 ZINC001211691135 1094790516 /nfs/dbraw/zinc/79/05/16/1094790516.db2.gz VXLACMJOCBRKDE-RBUKOAKNSA-N 1 3 331.504 2.568 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001480951429 1094799915 /nfs/dbraw/zinc/79/99/15/1094799915.db2.gz ARVCPEWSOIDLRT-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001480951429 1094799927 /nfs/dbraw/zinc/79/99/27/1094799927.db2.gz ARVCPEWSOIDLRT-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001481124943 1094831457 /nfs/dbraw/zinc/83/14/57/1094831457.db2.gz YFZYNMZEYAPUAE-HNNXBMFYSA-N 1 3 349.441 2.643 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001481498334 1094944169 /nfs/dbraw/zinc/94/41/69/1094944169.db2.gz PBOZMQRVEOFKNU-ALHCXDLNSA-N 1 3 343.515 2.820 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)C/C=C/c2ccccc2)C1)N(C)C ZINC001481498334 1094944185 /nfs/dbraw/zinc/94/41/85/1094944185.db2.gz PBOZMQRVEOFKNU-ALHCXDLNSA-N 1 3 343.515 2.820 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2csc(C)c2)C1 ZINC001481503579 1094975254 /nfs/dbraw/zinc/97/52/54/1094975254.db2.gz HXMLQQYUSGHZOU-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(C)c2)C1 ZINC001481503579 1094975259 /nfs/dbraw/zinc/97/52/59/1094975259.db2.gz HXMLQQYUSGHZOU-MRXNPFEDSA-N 1 3 337.533 2.679 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1 ZINC001481505849 1094987464 /nfs/dbraw/zinc/98/74/64/1094987464.db2.gz WNZBZIBIBFBBLX-IBGZPJMESA-N 1 3 331.504 2.617 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1 ZINC001481505849 1094987471 /nfs/dbraw/zinc/98/74/71/1094987471.db2.gz WNZBZIBIBFBBLX-IBGZPJMESA-N 1 3 331.504 2.617 20 0 EFADHO Cc1ccccc1CN1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481529980 1095145444 /nfs/dbraw/zinc/14/54/44/1095145444.db2.gz XWAOFWQNTHBVMC-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CC[NH+](CC)CCC[C@H](C)N1CCN(c2cc(OC)ccn2)CC1 ZINC001167834926 1095306790 /nfs/dbraw/zinc/30/67/90/1095306790.db2.gz NWXNYJKSZFFFSC-KRWDZBQOSA-N 1 3 334.508 2.723 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N1CCN(c2nccc(Cl)n2)CC1 ZINC001167837160 1095340886 /nfs/dbraw/zinc/34/08/86/1095340886.db2.gz IPKXKQDPWQBVOM-OAHLLOKOSA-N 1 3 339.915 2.763 20 0 EFADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCCc2ccsc2)C1 ZINC001100769256 1095599049 /nfs/dbraw/zinc/59/90/49/1095599049.db2.gz ACVQVXGPZHAXCR-UHFFFAOYSA-N 1 3 337.533 2.507 20 0 EFADHO CCCc1ccc(CN(CC)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001480976000 1095638160 /nfs/dbraw/zinc/63/81/60/1095638160.db2.gz PVHWNQSVAYCMNJ-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CCCc1ccc(CN(CC)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001480976000 1095638168 /nfs/dbraw/zinc/63/81/68/1095638168.db2.gz PVHWNQSVAYCMNJ-YLJYHZDGSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001104753682 1095680871 /nfs/dbraw/zinc/68/08/71/1095680871.db2.gz NTAMGEPPDJPTQK-GUDVDZBRSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955332 1095751475 /nfs/dbraw/zinc/75/14/75/1095751475.db2.gz PLPNXXCFWBYHHZ-KRWDZBQOSA-N 1 3 343.515 2.680 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CCCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000981955332 1095751483 /nfs/dbraw/zinc/75/14/83/1095751483.db2.gz PLPNXXCFWBYHHZ-KRWDZBQOSA-N 1 3 343.515 2.680 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957599 1095770246 /nfs/dbraw/zinc/77/02/46/1095770246.db2.gz NGNNPERPGFOGPZ-LPHOPBHVSA-N 1 3 341.515 2.779 20 0 EFADHO CC[C@H](C)C[N@H+]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000981957599 1095770256 /nfs/dbraw/zinc/77/02/56/1095770256.db2.gz NGNNPERPGFOGPZ-LPHOPBHVSA-N 1 3 341.515 2.779 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000981958943 1095787928 /nfs/dbraw/zinc/78/79/28/1095787928.db2.gz JETKFJUZRPLFCB-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c(C)c1 ZINC000981958943 1095787940 /nfs/dbraw/zinc/78/79/40/1095787940.db2.gz JETKFJUZRPLFCB-ICSRJNTNSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000981958066 1095793658 /nfs/dbraw/zinc/79/36/58/1095793658.db2.gz AHZXIPRANQIYEH-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(C)c(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000981958066 1095793665 /nfs/dbraw/zinc/79/36/65/1095793665.db2.gz AHZXIPRANQIYEH-UYAOXDASSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1ccc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+](C)C)cc1 ZINC001481678758 1096301517 /nfs/dbraw/zinc/30/15/17/1096301517.db2.gz XPYJYESIOJWSLW-PMACEKPBSA-N 1 3 343.515 2.555 20 0 EFADHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603651426 1096578266 /nfs/dbraw/zinc/57/82/66/1096578266.db2.gz SDLGRMBYYMWGAV-KSSFIOAISA-N 1 3 336.443 2.998 20 0 EFADHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603651426 1096578270 /nfs/dbraw/zinc/57/82/70/1096578270.db2.gz SDLGRMBYYMWGAV-KSSFIOAISA-N 1 3 336.443 2.998 20 0 EFADHO CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729880 1096608461 /nfs/dbraw/zinc/60/84/61/1096608461.db2.gz LVMUHZYDFMGZKG-YZGWKJHDSA-N 1 3 345.531 2.957 20 0 EFADHO CCN(C(=O)CCC[NH+](C)C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001481773130 1096684436 /nfs/dbraw/zinc/68/44/36/1096684436.db2.gz PBLAKZNEVDGJTA-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)NCc1ncccc1C ZINC001481812201 1096737990 /nfs/dbraw/zinc/73/79/90/1096737990.db2.gz IENYGFAQROJIAV-QGZVFWFLSA-N 1 3 346.519 2.639 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1c(C)cccc1C ZINC001481819982 1096744276 /nfs/dbraw/zinc/74/42/76/1096744276.db2.gz HQHWJKAPIJNPOV-KRWDZBQOSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1c(C)cccc1C ZINC001481819983 1096744421 /nfs/dbraw/zinc/74/44/21/1096744421.db2.gz HQHWJKAPIJNPOV-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481850113 1096793339 /nfs/dbraw/zinc/79/33/39/1096793339.db2.gz ITSXNHNQMXJSEE-SFHVURJKSA-N 1 3 333.520 2.957 20 0 EFADHO CCCN(C)CC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCC1 ZINC001481912389 1096914933 /nfs/dbraw/zinc/91/49/33/1096914933.db2.gz WNYZOOXTJPEHRK-UHFFFAOYSA-N 1 3 335.467 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001482015608 1097088631 /nfs/dbraw/zinc/08/86/31/1097088631.db2.gz AOIZUJKHCOVJOD-LBHJKMMDSA-N 1 3 348.318 2.663 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](NC/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001482015608 1097088638 /nfs/dbraw/zinc/08/86/38/1097088638.db2.gz AOIZUJKHCOVJOD-LBHJKMMDSA-N 1 3 348.318 2.663 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2C)CC1 ZINC001482026800 1097108670 /nfs/dbraw/zinc/10/86/70/1097108670.db2.gz QUDWNVUEWACQKO-WGSAOQKQSA-N 1 3 349.494 2.993 20 0 EFADHO CC[C@H](C(=O)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001268556927 1097186328 /nfs/dbraw/zinc/18/63/28/1097186328.db2.gz PSXUDOOXALYOKC-YZPMEYCISA-N 1 3 329.488 2.666 20 0 EFADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001268556919 1097188245 /nfs/dbraw/zinc/18/82/45/1097188245.db2.gz PSXUDOOXALYOKC-AWTIPJNISA-N 1 3 329.488 2.666 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccccc1C1CC1 ZINC001482144989 1097401341 /nfs/dbraw/zinc/40/13/41/1097401341.db2.gz VIELDZGLJHTTSJ-IRXDYDNUSA-N 1 3 343.515 2.748 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001268914613 1097723235 /nfs/dbraw/zinc/72/32/35/1097723235.db2.gz DOSSDETXPCNBOS-QGZVFWFLSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609122670 1098154504 /nfs/dbraw/zinc/15/45/04/1098154504.db2.gz LPVYWZOMQZBAQW-RDTXWAMCSA-N 1 3 336.443 2.998 20 0 EFADHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609122670 1098154509 /nfs/dbraw/zinc/15/45/09/1098154509.db2.gz LPVYWZOMQZBAQW-RDTXWAMCSA-N 1 3 336.443 2.998 20 0 EFADHO CN(CC(=O)NCC1([NH2+]C/C=C/Cl)CCCC1)CC(C)(C)C ZINC001482230083 1098231522 /nfs/dbraw/zinc/23/15/22/1098231522.db2.gz LTSGNDKIGKGECQ-JXMROGBWSA-N 1 3 329.916 2.735 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCF)C1 ZINC001104803274 1098618650 /nfs/dbraw/zinc/61/86/50/1098618650.db2.gz RHVLJGKXGQIQQK-IAGOWNOFSA-N 1 3 329.504 2.542 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC1CCC1 ZINC001104832575 1098715823 /nfs/dbraw/zinc/71/58/23/1098715823.db2.gz INNLIYAGHWOSJV-IEBWSBKVSA-N 1 3 335.536 2.593 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CCC[N@@H+](C3CCCC3)C2)C1 ZINC001270180290 1098769733 /nfs/dbraw/zinc/76/97/33/1098769733.db2.gz XPXJZMWJFUVOTH-IBGZPJMESA-N 1 3 330.476 2.599 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001270180290 1098769737 /nfs/dbraw/zinc/76/97/37/1098769737.db2.gz XPXJZMWJFUVOTH-IBGZPJMESA-N 1 3 330.476 2.599 20 0 EFADHO O=c1ccc2c([nH]1)CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)N3CC1CC1)C2 ZINC001167962239 1098870345 /nfs/dbraw/zinc/87/03/45/1098870345.db2.gz VRTNHWUPHTZLHB-CSNJMZFVSA-N 1 3 327.472 2.640 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001104938135 1099090630 /nfs/dbraw/zinc/09/06/30/1099090630.db2.gz QBKKONDDSAEEBU-IEBWSBKVSA-N 1 3 331.504 2.603 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001481300289 1099126040 /nfs/dbraw/zinc/12/60/40/1099126040.db2.gz RURYKINDDGJSEQ-ZDUSSCGKSA-N 1 3 343.874 2.930 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001481300289 1099126048 /nfs/dbraw/zinc/12/60/48/1099126048.db2.gz RURYKINDDGJSEQ-ZDUSSCGKSA-N 1 3 343.874 2.930 20 0 EFADHO CCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524605 1099239413 /nfs/dbraw/zinc/23/94/13/1099239413.db2.gz XXPHWZXFELNSMI-NSHGMRRFSA-N 1 3 337.552 2.981 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Cc1ccccc1 ZINC001167967959 1099283635 /nfs/dbraw/zinc/28/36/35/1099283635.db2.gz MTLWKWWJKXBGIG-WVVQBRDUSA-N 1 3 328.500 2.833 20 0 EFADHO OC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Cc1ccccc1 ZINC001167967959 1099283645 /nfs/dbraw/zinc/28/36/45/1099283645.db2.gz MTLWKWWJKXBGIG-WVVQBRDUSA-N 1 3 328.500 2.833 20 0 EFADHO CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H](F)CN(CC)CC)CCCCC1 ZINC001115559754 1099327929 /nfs/dbraw/zinc/32/79/29/1099327929.db2.gz HBBSBUXWDIAGCN-HZPDHXFCSA-N 1 3 347.494 2.823 20 0 EFADHO c1cc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)ccn1 ZINC001167972750 1099347441 /nfs/dbraw/zinc/34/74/41/1099347441.db2.gz AVPLZIIWRORFFY-UDEWTMQYSA-N 1 3 340.515 2.651 20 0 EFADHO c1cc(CN2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)ccn1 ZINC001167972750 1099347454 /nfs/dbraw/zinc/34/74/54/1099347454.db2.gz AVPLZIIWRORFFY-UDEWTMQYSA-N 1 3 340.515 2.651 20 0 EFADHO CC(C)(C)[C@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981680 1099407320 /nfs/dbraw/zinc/40/73/20/1099407320.db2.gz DYFUBLOPDYUHPX-NXEWRWPSSA-N 1 3 349.563 2.728 20 0 EFADHO CC(C)(C)[C@H](CN1CCOCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981680 1099407325 /nfs/dbraw/zinc/40/73/25/1099407325.db2.gz DYFUBLOPDYUHPX-NXEWRWPSSA-N 1 3 349.563 2.728 20 0 EFADHO CCN(CC)C(=O)[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167981634 1099409780 /nfs/dbraw/zinc/40/97/80/1099409780.db2.gz CJZSOHDQVIIIJO-GURQWTFNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167981634 1099409788 /nfs/dbraw/zinc/40/97/88/1099409788.db2.gz CJZSOHDQVIIIJO-GURQWTFNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981634 1099409795 /nfs/dbraw/zinc/40/97/95/1099409795.db2.gz CJZSOHDQVIIIJO-GURQWTFNSA-N 1 3 347.547 2.972 20 0 EFADHO CCN(CC)C(=O)[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)N3CC2CC2)C1 ZINC001167981634 1099409804 /nfs/dbraw/zinc/40/98/04/1099409804.db2.gz CJZSOHDQVIIIJO-GURQWTFNSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccc(F)cc1F)N(C)C(=O)CCC[NH+](C)C ZINC001482322497 1099499384 /nfs/dbraw/zinc/49/93/84/1099499384.db2.gz FVKRAVMFXIPJHR-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001105064227 1099526547 /nfs/dbraw/zinc/52/65/47/1099526547.db2.gz DIPXJIHSHNWIMM-SJLPKXTDSA-N 1 3 349.494 2.740 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC(C)C)C1 ZINC001105067374 1099541546 /nfs/dbraw/zinc/54/15/46/1099541546.db2.gz YAASXDSTYPNCGE-GUDVDZBRSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001105067237 1099542504 /nfs/dbraw/zinc/54/25/04/1099542504.db2.gz SRMVUJAPRNYAJH-IEBWSBKVSA-N 1 3 349.563 2.981 20 0 EFADHO C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCc1ccccc1 ZINC001481384647 1099547554 /nfs/dbraw/zinc/54/75/54/1099547554.db2.gz HTFDQXFTPPXAIY-BGYRXZFFSA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]([NH2+]CC1CC1)C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001029172878 1099629085 /nfs/dbraw/zinc/62/90/85/1099629085.db2.gz INQAEVGXKCUPAX-MRXNPFEDSA-N 1 3 343.515 2.989 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001203437099 1099680481 /nfs/dbraw/zinc/68/04/81/1099680481.db2.gz AFHITWFUOVJHLL-JXMROGBWSA-N 1 3 329.488 2.622 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cccc(Cl)c1F ZINC001482349923 1099760976 /nfs/dbraw/zinc/76/09/76/1099760976.db2.gz LVXDMBRTGBATQC-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCc1cccc(Cl)c1F ZINC001482349923 1099760987 /nfs/dbraw/zinc/76/09/87/1099760987.db2.gz LVXDMBRTGBATQC-ZDUSSCGKSA-N 1 3 343.874 2.757 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC001075779557 1099776593 /nfs/dbraw/zinc/77/65/93/1099776593.db2.gz PUFRJRMSHWYSPD-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001075779557 1099776602 /nfs/dbraw/zinc/77/66/02/1099776602.db2.gz PUFRJRMSHWYSPD-GBESFXJTSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001075784891 1099850316 /nfs/dbraw/zinc/85/03/16/1099850316.db2.gz KHIOWVBPNFSJPE-SLFFLAALSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001075784891 1099850326 /nfs/dbraw/zinc/85/03/26/1099850326.db2.gz KHIOWVBPNFSJPE-SLFFLAALSA-N 1 3 345.531 2.892 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001075785133 1099855373 /nfs/dbraw/zinc/85/53/73/1099855373.db2.gz SCLDYRQUMHMKJV-RCCFBDPRSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001075785133 1099855378 /nfs/dbraw/zinc/85/53/78/1099855378.db2.gz SCLDYRQUMHMKJV-RCCFBDPRSA-N 1 3 335.536 2.828 20 0 EFADHO CN(CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21)CC(C)(C)C ZINC001481278951 1099970134 /nfs/dbraw/zinc/97/01/34/1099970134.db2.gz CSVMEGFGUPZRRZ-GOSISDBHSA-N 1 3 349.494 2.839 20 0 EFADHO CCCC[C@@H](CC)CN1CCC12CN(C(=O)CC[NH+]1CCCC1)C2 ZINC001270901084 1100184143 /nfs/dbraw/zinc/18/41/43/1100184143.db2.gz OQYQFLHWDUAWRQ-GOSISDBHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[C@H](CC)CN1CCC12CN(C(=O)CC[NH+]1CCCC1)C2 ZINC001270901087 1100184208 /nfs/dbraw/zinc/18/42/08/1100184208.db2.gz OQYQFLHWDUAWRQ-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001271002903 1100354565 /nfs/dbraw/zinc/35/45/65/1100354565.db2.gz DUVWESOKUUUORT-HKUYNNGSSA-N 1 3 333.520 2.560 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[N@H+](C3CCCC3)CC[C@@H]2C1)C1CCCC1 ZINC001271076279 1100448249 /nfs/dbraw/zinc/44/82/49/1100448249.db2.gz QZZMUZPQEIHKLW-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CC(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1)C1CCCC1 ZINC001271076279 1100448252 /nfs/dbraw/zinc/44/82/52/1100448252.db2.gz QZZMUZPQEIHKLW-HDICACEKSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@H+](CCC)CC23CCC3)CC1 ZINC001105396014 1100571931 /nfs/dbraw/zinc/57/19/31/1100571931.db2.gz GYEIDHXJTYPGTK-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2[N@@H+](CCC)CC23CCC3)CC1 ZINC001105396014 1100571935 /nfs/dbraw/zinc/57/19/35/1100571935.db2.gz GYEIDHXJTYPGTK-LJQANCHMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@@H+]1CCCF ZINC001087602449 1100581531 /nfs/dbraw/zinc/58/15/31/1100581531.db2.gz QINXSNJAYUKKBK-KSZLIROESA-N 1 3 339.499 2.722 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C2CCCC2)CC[N@H+]1CCCF ZINC001087602449 1100581535 /nfs/dbraw/zinc/58/15/35/1100581535.db2.gz QINXSNJAYUKKBK-KSZLIROESA-N 1 3 339.499 2.722 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1CC1CCCC1 ZINC001087639542 1100624799 /nfs/dbraw/zinc/62/47/99/1100624799.db2.gz CCDJJBNJJWMDMC-ZWKOTPCHSA-N 1 3 333.520 2.774 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1CC1CCCC1 ZINC001087639542 1100624805 /nfs/dbraw/zinc/62/48/05/1100624805.db2.gz CCDJJBNJJWMDMC-ZWKOTPCHSA-N 1 3 333.520 2.774 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C[C@H](C)N1Cc1ccccc1 ZINC001168019406 1100628622 /nfs/dbraw/zinc/62/86/22/1100628622.db2.gz IRHCNHIXPWZUEE-OCVGTWLNSA-N 1 3 330.394 2.941 20 0 EFADHO CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087705129 1100682717 /nfs/dbraw/zinc/68/27/17/1100682717.db2.gz YHBVLSGSLJZASG-HRCADAONSA-N 1 3 339.455 2.672 20 0 EFADHO CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)c2occc2CN(C)C)[C@H]1CC ZINC001087705129 1100682720 /nfs/dbraw/zinc/68/27/20/1100682720.db2.gz YHBVLSGSLJZASG-HRCADAONSA-N 1 3 339.455 2.672 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@@H+]1CCCF ZINC001087749747 1100728426 /nfs/dbraw/zinc/72/84/26/1100728426.db2.gz YCGFMCZIRUCNTK-IXDOHACOSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)CC[N@H+]1CCCF ZINC001087749747 1100728429 /nfs/dbraw/zinc/72/84/29/1100728429.db2.gz YCGFMCZIRUCNTK-IXDOHACOSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H]1COCCN1CCNC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168025363 1100839454 /nfs/dbraw/zinc/83/94/54/1100839454.db2.gz JWHUGQQJDDEVEK-GBESFXJTSA-N 1 3 345.531 2.738 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@@H+]1Cc1ccccc1Cl ZINC001087829649 1100840202 /nfs/dbraw/zinc/84/02/02/1100840202.db2.gz PCBJSIWROYSOKL-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO CC[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1ccccc1Cl ZINC001087829649 1100840208 /nfs/dbraw/zinc/84/02/08/1100840208.db2.gz PCBJSIWROYSOKL-ZWKOTPCHSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001482470929 1100856438 /nfs/dbraw/zinc/85/64/38/1100856438.db2.gz IDLZBMBDLFCYJH-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@H]2CC[NH2+][C@H](C)C2)c2ccccc2)CC1 ZINC001648966604 1101071988 /nfs/dbraw/zinc/07/19/88/1101071988.db2.gz HXGRFZAODVWKGE-RLLQIKCJSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+](C)CCN2CCOCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168040473 1101101498 /nfs/dbraw/zinc/10/14/98/1101101498.db2.gz NFVIJTUIYWRMRS-CEQLMSFQSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCOCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168040473 1101101500 /nfs/dbraw/zinc/10/15/00/1101101500.db2.gz NFVIJTUIYWRMRS-CEQLMSFQSA-N 1 3 345.531 2.692 20 0 EFADHO C[C@H]1CC([N@H+](C)CCN2CCOCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168040474 1101101653 /nfs/dbraw/zinc/10/16/53/1101101653.db2.gz NFVIJTUIYWRMRS-OALUTQOASA-N 1 3 345.531 2.692 20 0 EFADHO C[C@H]1CC([N@@H+](C)CCN2CCOCC2)C[C@H](C)N1Cc1ccccc1 ZINC001168040474 1101101654 /nfs/dbraw/zinc/10/16/54/1101101654.db2.gz NFVIJTUIYWRMRS-OALUTQOASA-N 1 3 345.531 2.692 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088011224 1101189964 /nfs/dbraw/zinc/18/99/64/1101189964.db2.gz DZSQMIUADOPZPK-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCC3CCCC3)CC[C@@H]2C1)N(C)C ZINC001088011224 1101189969 /nfs/dbraw/zinc/18/99/69/1101189969.db2.gz DZSQMIUADOPZPK-CEXWTWQISA-N 1 3 335.536 2.687 20 0 EFADHO CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)[C@H](C)N3CCCC3)C2)C1 ZINC001271212710 1101286243 /nfs/dbraw/zinc/28/62/43/1101286243.db2.gz XCSDSPPRCYKRFI-ROUUACIJSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001167385812 1101392926 /nfs/dbraw/zinc/39/29/26/1101392926.db2.gz UNMOELFTTIDQLB-IAGOWNOFSA-N 1 3 341.515 2.874 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001167385811 1101393791 /nfs/dbraw/zinc/39/37/91/1101393791.db2.gz UNMOELFTTIDQLB-DLBZAZTESA-N 1 3 341.515 2.874 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001167385814 1101394092 /nfs/dbraw/zinc/39/40/92/1101394092.db2.gz UNMOELFTTIDQLB-SJORKVTESA-N 1 3 341.515 2.874 20 0 EFADHO C[NH+](C)Cc1cccc(CNCc2ccccc2N2CCOCC2)c1 ZINC000066971220 1101472909 /nfs/dbraw/zinc/47/29/09/1101472909.db2.gz LMNIZEOVFQTMOX-UHFFFAOYSA-N 1 3 339.483 2.875 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095583 1101507875 /nfs/dbraw/zinc/50/78/75/1101507875.db2.gz WTNKBRCFVIJUDH-CEXWTWQISA-N 1 3 337.552 2.789 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]2C1 ZINC001088095583 1101507892 /nfs/dbraw/zinc/50/78/92/1101507892.db2.gz WTNKBRCFVIJUDH-CEXWTWQISA-N 1 3 337.552 2.789 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@@H+](CCCC4CCC4)CC[C@@H]3C2)C1 ZINC001088106812 1101561660 /nfs/dbraw/zinc/56/16/60/1101561660.db2.gz SCUCSGCYKSACJX-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[N@H+](CCCC4CCC4)CC[C@@H]3C2)C1 ZINC001088106812 1101561667 /nfs/dbraw/zinc/56/16/67/1101561667.db2.gz SCUCSGCYKSACJX-RLLQIKCJSA-N 1 3 347.547 2.689 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088129298 1101622410 /nfs/dbraw/zinc/62/24/10/1101622410.db2.gz GZBUOAMRWXXSDN-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)CC[C@@H]2C1 ZINC001088129298 1101622417 /nfs/dbraw/zinc/62/24/17/1101622417.db2.gz GZBUOAMRWXXSDN-HSALFYBXSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CC([N@@H+]2CCC3(C2)OCCO3)C[C@@H](C)N1Cc1ccccc1 ZINC001168053807 1101642697 /nfs/dbraw/zinc/64/26/97/1101642697.db2.gz PVLCJVKKZZCMEX-IAGOWNOFSA-N 1 3 330.472 2.877 20 0 EFADHO C[C@@H]1CC([N@H+]2CCC3(C2)OCCO3)C[C@@H](C)N1Cc1ccccc1 ZINC001168053807 1101642700 /nfs/dbraw/zinc/64/27/00/1101642700.db2.gz PVLCJVKKZZCMEX-IAGOWNOFSA-N 1 3 330.472 2.877 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150830 1101686388 /nfs/dbraw/zinc/68/63/88/1101686388.db2.gz YJQSXNUCKUPEIG-UXHICEINSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@@H]2C1 ZINC001088150830 1101686392 /nfs/dbraw/zinc/68/63/92/1101686392.db2.gz YJQSXNUCKUPEIG-UXHICEINSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCCC2)C1)N(C)C ZINC001104319288 1101712955 /nfs/dbraw/zinc/71/29/55/1101712955.db2.gz MBFFZEXIWOWGII-QRQLOZEOSA-N 1 3 337.552 2.837 20 0 EFADHO C[NH+](C)CCOc1ccc(CNCc2ccc3c(c2)OCCO3)cc1 ZINC000069666941 1101725581 /nfs/dbraw/zinc/72/55/81/1101725581.db2.gz LTJMXVCQYLMTKD-UHFFFAOYSA-N 1 3 342.439 2.688 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001088212612 1101889585 /nfs/dbraw/zinc/88/95/85/1101889585.db2.gz CMBJYOFXZMCMGW-AABGKKOBSA-N 1 3 347.547 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]2C1 ZINC001088212612 1101889601 /nfs/dbraw/zinc/88/96/01/1101889601.db2.gz CMBJYOFXZMCMGW-AABGKKOBSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccc2)C1)N(C)C ZINC001104346622 1101969522 /nfs/dbraw/zinc/96/95/22/1101969522.db2.gz FQHGATNDPJJWBD-BHIYHBOVSA-N 1 3 331.504 2.601 20 0 EFADHO c1csc(C[NH+]2CCC3(CCN(Cc4cn[nH]n4)CC3)CC2)c1 ZINC001203200560 1101992324 /nfs/dbraw/zinc/99/23/24/1101992324.db2.gz DVZKZTIJZBURAQ-UHFFFAOYSA-N 1 3 331.489 2.744 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001209835529 1102049460 /nfs/dbraw/zinc/04/94/60/1102049460.db2.gz CIUPNQJGIWNALX-ASMLLPBJSA-N 1 3 338.455 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001167225257 1102083780 /nfs/dbraw/zinc/08/37/80/1102083780.db2.gz RYZSHQVOJUDLRJ-QGZVFWFLSA-N 1 3 347.547 2.927 20 0 EFADHO C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168065994 1102085081 /nfs/dbraw/zinc/08/50/81/1102085081.db2.gz ZUZBWVYJMOHGRU-UJZAFDIWSA-N 1 3 327.516 2.921 20 0 EFADHO C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CN(C)C[C@H]3C2)C[C@H](C)N1Cc1ccccc1 ZINC001168065994 1102085094 /nfs/dbraw/zinc/08/50/94/1102085094.db2.gz ZUZBWVYJMOHGRU-UJZAFDIWSA-N 1 3 327.516 2.921 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CC3CC4(CCC4)C3)CC2)C1 ZINC001167232637 1102097292 /nfs/dbraw/zinc/09/72/92/1102097292.db2.gz KTVWMBSSMDXUPT-QGZVFWFLSA-N 1 3 347.547 2.785 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC2(C[NH2+]CCC3CCCC3)CC2)C1 ZINC001167232427 1102097555 /nfs/dbraw/zinc/09/75/55/1102097555.db2.gz CDFDSUOVNLCPID-QGZVFWFLSA-N 1 3 335.536 2.785 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1(CCNC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001167232757 1102101050 /nfs/dbraw/zinc/10/10/50/1102101050.db2.gz PHSDIINKOMIHGA-MSOLQXFVSA-N 1 3 337.552 2.887 20 0 EFADHO CC1CC(C[NH2+]CC2(CCNC(=O)CN3CCC(C)(C)C3)CC2)C1 ZINC001167240180 1102124637 /nfs/dbraw/zinc/12/46/37/1102124637.db2.gz DVLPPXMRPAYMTB-UHFFFAOYSA-N 1 3 335.536 2.641 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2ccc(CF)cc2)CC1)N(C)C ZINC001167260905 1102185478 /nfs/dbraw/zinc/18/54/78/1102185478.db2.gz PJHGPILQNRBXBW-SFHVURJKSA-N 1 3 349.494 2.872 20 0 EFADHO CC[C@@H](C(=O)NCCC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001167261116 1102186812 /nfs/dbraw/zinc/18/68/12/1102186812.db2.gz WNTXEWNHWBPSGF-GJZGRUSLSA-N 1 3 345.478 2.638 20 0 EFADHO CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001648970677 1102253200 /nfs/dbraw/zinc/25/32/00/1102253200.db2.gz SXHOBILEVAKHQW-GDBMZVCRSA-N 1 3 332.492 2.895 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001167480831 1102300976 /nfs/dbraw/zinc/30/09/76/1102300976.db2.gz SLOCVPLLUAHOLV-UHFFFAOYSA-N 1 3 335.467 2.544 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001167481085 1102311547 /nfs/dbraw/zinc/31/15/47/1102311547.db2.gz ZTGINYYBFHQFIF-UHFFFAOYSA-N 1 3 349.494 2.852 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccccc1F ZINC001482498181 1102374032 /nfs/dbraw/zinc/37/40/32/1102374032.db2.gz LSVVJNDFAUJPKO-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CCN(CC)CC(=O)NCCC1(C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001167486703 1102381654 /nfs/dbraw/zinc/38/16/54/1102381654.db2.gz NZHQEUOLPGLUHZ-UHFFFAOYSA-N 1 3 331.504 2.713 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001482499918 1102415543 /nfs/dbraw/zinc/41/55/43/1102415543.db2.gz RQFRNIUDXMTKQH-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@H+](C)CCC3CC3)CC2)CCC1 ZINC001482504304 1102428661 /nfs/dbraw/zinc/42/86/61/1102428661.db2.gz LIXOIJRBVADRNW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN(C)C1(C(=O)N2CCC(CC[N@@H+](C)CCC3CC3)CC2)CCC1 ZINC001482504304 1102428671 /nfs/dbraw/zinc/42/86/71/1102428671.db2.gz LIXOIJRBVADRNW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@H+](C)CC2CC(C)C2)CC1 ZINC001482508330 1102450278 /nfs/dbraw/zinc/45/02/78/1102450278.db2.gz SATRFNQTJZAKPE-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC(CC[N@@H+](C)CC2CC(C)C2)CC1 ZINC001482508330 1102450283 /nfs/dbraw/zinc/45/02/83/1102450283.db2.gz SATRFNQTJZAKPE-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)C12CCC2 ZINC001203425834 1102483901 /nfs/dbraw/zinc/48/39/01/1102483901.db2.gz DQBVAGULRNLOTI-IRXDYDNUSA-N 1 3 335.536 2.948 20 0 EFADHO C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNCC=C(Cl)Cl)CC1 ZINC001266876059 1102566146 /nfs/dbraw/zinc/56/61/46/1102566146.db2.gz FVXDANFBSDDZSK-AWEZNQCLSA-N 1 3 348.318 2.618 20 0 EFADHO CC1CC(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CN(C)C2CCC2)C1 ZINC001087175617 1102620731 /nfs/dbraw/zinc/62/07/31/1102620731.db2.gz XGCPWHCASDVXMD-JIZBTBOESA-N 1 3 335.536 2.734 20 0 EFADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC001480905763 1102779876 /nfs/dbraw/zinc/77/98/76/1102779876.db2.gz ZQOIFLNGCHTECU-GOSISDBHSA-N 1 3 347.478 2.593 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC000970800741 1102786113 /nfs/dbraw/zinc/78/61/13/1102786113.db2.gz RXEHOFPEPHDAMC-RTBURBONSA-N 1 3 347.478 2.721 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C)C1 ZINC001271817336 1102788889 /nfs/dbraw/zinc/78/88/89/1102788889.db2.gz VQAXALBGWXBPAX-UFYCRDLUSA-N 1 3 341.499 2.512 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C)C1 ZINC001271817336 1102788899 /nfs/dbraw/zinc/78/88/99/1102788899.db2.gz VQAXALBGWXBPAX-UFYCRDLUSA-N 1 3 341.499 2.512 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCCC[C@@H](NCc2ccccn2)C1)[NH+](C)C ZINC001088330553 1102947635 /nfs/dbraw/zinc/94/76/35/1102947635.db2.gz CCSNCMPOCSQTQS-MOPGFXCFSA-N 1 3 346.519 2.529 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]Cc2cccnc2C)C1)N(C)C ZINC001088334662 1102985391 /nfs/dbraw/zinc/98/53/91/1102985391.db2.gz MYIJPZITVHJCLE-RTBURBONSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1)N(C)C ZINC001088335051 1102989792 /nfs/dbraw/zinc/98/97/92/1102989792.db2.gz UXJMKEYQAFCVGZ-RBUKOAKNSA-N 1 3 331.504 2.888 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001409763970 1103078405 /nfs/dbraw/zinc/07/84/05/1103078405.db2.gz TZBSANKKEKXFPQ-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001409763970 1103078421 /nfs/dbraw/zinc/07/84/21/1103078421.db2.gz TZBSANKKEKXFPQ-KGLIPLIRSA-N 1 3 341.446 2.804 20 0 EFADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)CN1CCCC1 ZINC000905440169 1103200436 /nfs/dbraw/zinc/20/04/36/1103200436.db2.gz URESEUFZSULTSP-OWCLPIDISA-N 1 3 328.378 2.608 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC001483285843 1103243553 /nfs/dbraw/zinc/24/35/53/1103243553.db2.gz KGBXMLHSIFDQNW-LBPRGKRZSA-N 1 3 346.302 2.930 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCCC[C@@H]([NH2+]CC3CCCC3)C2)C1 ZINC001088381384 1103333385 /nfs/dbraw/zinc/33/33/85/1103333385.db2.gz CZSVPPBNVRUHLM-IEBWSBKVSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001088382058 1103339947 /nfs/dbraw/zinc/33/99/47/1103339947.db2.gz SXOUOOVJVMGIFL-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001088390530 1103380203 /nfs/dbraw/zinc/38/02/03/1103380203.db2.gz PHWREDWCYKQPFL-OAHLLOKOSA-N 1 3 346.500 2.617 20 0 EFADHO Fc1ccc(N2CCC[N@@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168373402 1103396577 /nfs/dbraw/zinc/39/65/77/1103396577.db2.gz QSAQCDSISPVWSU-UHFFFAOYSA-N 1 3 332.467 2.607 20 0 EFADHO Fc1ccc(N2CCC[N@H+](C3CCN(CC4CC4)CC3)CC2)nc1 ZINC001168373402 1103396591 /nfs/dbraw/zinc/39/65/91/1103396591.db2.gz QSAQCDSISPVWSU-UHFFFAOYSA-N 1 3 332.467 2.607 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088394821 1103411489 /nfs/dbraw/zinc/41/14/89/1103411489.db2.gz POFKVRDZPDNKPK-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@@H](CN(C)Cc1ccc(Cl)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001483380414 1103547931 /nfs/dbraw/zinc/54/79/31/1103547931.db2.gz IMNFXZVZEPWQEU-AWEZNQCLSA-N 1 3 337.895 2.618 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCc3ccccc3F)C2)C1 ZINC001088424950 1103552247 /nfs/dbraw/zinc/55/22/47/1103552247.db2.gz JUXLQOVQXWHFJC-ZWKOTPCHSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CCCCC[C@@H](NCc3ccccc3F)C2)C1 ZINC001088424950 1103552255 /nfs/dbraw/zinc/55/22/55/1103552255.db2.gz JUXLQOVQXWHFJC-ZWKOTPCHSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCc3ccccc3F)C2)C1 ZINC001088424947 1103552880 /nfs/dbraw/zinc/55/28/80/1103552880.db2.gz JUXLQOVQXWHFJC-MSOLQXFVSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)N2CCCCC[C@H](NCc3ccccc3F)C2)C1 ZINC001088424947 1103552885 /nfs/dbraw/zinc/55/28/85/1103552885.db2.gz JUXLQOVQXWHFJC-MSOLQXFVSA-N 1 3 347.478 2.638 20 0 EFADHO CN(Cc1ccc(F)cc1)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001204692061 1103604610 /nfs/dbraw/zinc/60/46/10/1103604610.db2.gz QMPQTCPJPGTGKY-UHFFFAOYSA-N 1 3 327.447 2.863 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001483235374 1103728428 /nfs/dbraw/zinc/72/84/28/1103728428.db2.gz NLXHVKYPQBXAHX-UONOGXRCSA-N 1 3 337.895 2.980 20 0 EFADHO CC(C)[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001105427586 1103756006 /nfs/dbraw/zinc/75/60/06/1103756006.db2.gz UQRSAHFDCYQUCB-IRFCIJBXSA-N 1 3 345.531 2.787 20 0 EFADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1C)c1ccccc1F ZINC001483474690 1103782469 /nfs/dbraw/zinc/78/24/69/1103782469.db2.gz MNPRVCJYUHSTBI-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088495038 1103970363 /nfs/dbraw/zinc/97/03/63/1103970363.db2.gz YFIWLUMUTUEILM-FHLIZLRMSA-N 1 3 349.906 2.822 20 0 EFADHO Cc1cccc(Cl)c1CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088495038 1103970370 /nfs/dbraw/zinc/97/03/70/1103970370.db2.gz YFIWLUMUTUEILM-FHLIZLRMSA-N 1 3 349.906 2.822 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001127066902 1103972744 /nfs/dbraw/zinc/97/27/44/1103972744.db2.gz UTIOZCFQWQSTHA-INIZCTEOSA-N 1 3 341.858 2.558 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCc1ccc(Cl)c(F)c1 ZINC001127066902 1103972748 /nfs/dbraw/zinc/97/27/48/1103972748.db2.gz UTIOZCFQWQSTHA-INIZCTEOSA-N 1 3 341.858 2.558 20 0 EFADHO CN1CCN(Cc2ccccc2-c2cncc([C@H]3CCC[NH2+]3)c2)CC1 ZINC000906177016 1103982699 /nfs/dbraw/zinc/98/26/99/1103982699.db2.gz LTOZTPVFLVADCE-OAQYLSRUSA-N 1 3 336.483 2.921 20 0 EFADHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC001100901661 1104030073 /nfs/dbraw/zinc/03/00/73/1104030073.db2.gz HTDLZPWVWUGEOM-UHFFFAOYSA-N 1 3 337.895 2.666 20 0 EFADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127079221 1104039410 /nfs/dbraw/zinc/03/94/10/1104039410.db2.gz ZGWYCYGCFMUKLS-QGZVFWFLSA-N 1 3 337.895 2.727 20 0 EFADHO Cc1cccc(Cl)c1CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127079221 1104039421 /nfs/dbraw/zinc/03/94/21/1104039421.db2.gz ZGWYCYGCFMUKLS-QGZVFWFLSA-N 1 3 337.895 2.727 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CN2C2CC[NH+](CC3CC3)CC2)C1 ZINC001168377964 1104113428 /nfs/dbraw/zinc/11/34/28/1104113428.db2.gz IPRBRPUDLRNHDP-AEFFLSMTSA-N 1 3 349.519 2.802 20 0 EFADHO CN(CCCNC(=O)OC(C)(C)C)C1CC[NH+](CC2CC2)CC1 ZINC001168378669 1104125035 /nfs/dbraw/zinc/12/50/35/1104125035.db2.gz PNPYUCQFAQBXET-UHFFFAOYSA-N 1 3 325.497 2.707 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@H+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)cc1 ZINC001168389098 1104180990 /nfs/dbraw/zinc/18/09/90/1104180990.db2.gz KCKLONGLLIHJPE-OYRHEFFESA-N 1 3 339.527 2.925 20 0 EFADHO c1ccc(CN2C[C@@H]3C[N@@H+](C4CCN(CC5CC5)CC4)C[C@@H]3C2)cc1 ZINC001168389098 1104180998 /nfs/dbraw/zinc/18/09/98/1104180998.db2.gz KCKLONGLLIHJPE-OYRHEFFESA-N 1 3 339.527 2.925 20 0 EFADHO c1ccc(CCN2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168390497 1104183196 /nfs/dbraw/zinc/18/31/96/1104183196.db2.gz IGSSRYUHJQLDJV-UHFFFAOYSA-N 1 3 327.516 2.721 20 0 EFADHO COc1cccc(OC2CC[NH+](C3CCN(CC4CC4)CC3)CC2)n1 ZINC001168394713 1104199188 /nfs/dbraw/zinc/19/91/88/1104199188.db2.gz DOBHXSKMYYEABD-UHFFFAOYSA-N 1 3 345.487 2.808 20 0 EFADHO CCCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)CN(C)CCC)C1 ZINC001105446144 1104203787 /nfs/dbraw/zinc/20/37/87/1104203787.db2.gz DYMJPSYGRRMCPZ-TYKWCNGQSA-N 1 3 345.531 2.935 20 0 EFADHO CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001105447405 1104213685 /nfs/dbraw/zinc/21/36/85/1104213685.db2.gz FLRUGTBIIAUYNU-IRFCIJBXSA-N 1 3 343.515 2.687 20 0 EFADHO C[NH+](C)CCOc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC000906536291 1104289925 /nfs/dbraw/zinc/28/99/25/1104289925.db2.gz HXUVJOZKTSDBND-UHFFFAOYSA-N 1 3 347.503 2.508 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001664190904 1104311759 /nfs/dbraw/zinc/31/17/59/1104311759.db2.gz VHXLSCZLDMYYOT-INIZCTEOSA-N 1 3 325.884 2.537 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C(C)(C)C[NH2+]CC[C@@H](C)F)CC1 ZINC001101591284 1104493466 /nfs/dbraw/zinc/49/34/66/1104493466.db2.gz QBOHZXQRVWTQQX-MRXNPFEDSA-N 1 3 343.531 2.931 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001409616602 1104526706 /nfs/dbraw/zinc/52/67/06/1104526706.db2.gz KVPJSHJMLDPICT-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc2cccnc21)N(C)C ZINC001409616602 1104526713 /nfs/dbraw/zinc/52/67/13/1104526713.db2.gz KVPJSHJMLDPICT-QAPCUYQASA-N 1 3 342.487 2.512 20 0 EFADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)Cc1cc2ccccc2o1 ZINC001409629795 1104555406 /nfs/dbraw/zinc/55/54/06/1104555406.db2.gz PYASOFUZUAYHCT-HNNXBMFYSA-N 1 3 343.471 2.711 20 0 EFADHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)N(C)Cc1ccc(F)cc1 ZINC001409693894 1104672726 /nfs/dbraw/zinc/67/27/26/1104672726.db2.gz SBLCQFBOCJBWQU-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO CC/C=C/CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001665465614 1104700015 /nfs/dbraw/zinc/70/00/15/1104700015.db2.gz NRZRWHTWCBOESS-PABLAQFASA-N 1 3 333.520 2.940 20 0 EFADHO CC/C=C/CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001665465614 1104700021 /nfs/dbraw/zinc/70/00/21/1104700021.db2.gz NRZRWHTWCBOESS-PABLAQFASA-N 1 3 333.520 2.940 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cc1 ZINC001088577099 1104766319 /nfs/dbraw/zinc/76/63/19/1104766319.db2.gz ACELHUKLCVVLSW-SMOSDQRPSA-N 1 3 343.515 2.668 20 0 EFADHO CCc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)cc1 ZINC001088577099 1104766325 /nfs/dbraw/zinc/76/63/25/1104766325.db2.gz ACELHUKLCVVLSW-SMOSDQRPSA-N 1 3 343.515 2.668 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+][C@H]1CCCc2ccccc21 ZINC001482889463 1105148265 /nfs/dbraw/zinc/14/82/65/1105148265.db2.gz QSTPWYBPHGWFHY-LPHOPBHVSA-N 1 3 331.504 2.890 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCCc2ccccc21 ZINC001482889470 1105148297 /nfs/dbraw/zinc/14/82/97/1105148297.db2.gz QSTPWYBPHGWFHY-VQIMIIECSA-N 1 3 331.504 2.890 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC2CCC(C)CC2)C1)N(C)C ZINC001030019340 1105212473 /nfs/dbraw/zinc/21/24/73/1105212473.db2.gz YUQDHHRXRHYQAW-BTRQGYIVSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988956013 1105399735 /nfs/dbraw/zinc/39/97/35/1105399735.db2.gz NOEWXTVKDZGOJP-PKOBYXMFSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c(C)s1 ZINC000988956328 1105400593 /nfs/dbraw/zinc/40/05/93/1105400593.db2.gz PTCHEEIORVJZHD-SUMWQHHRSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988957944 1105401125 /nfs/dbraw/zinc/40/11/25/1105401125.db2.gz GNUUHJLTMTWFEE-YJBOKZPZSA-N 1 3 347.478 2.697 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000988958001 1105401319 /nfs/dbraw/zinc/40/13/19/1105401319.db2.gz HOAIZFWKWLKACZ-APWZRJJASA-N 1 3 343.515 2.812 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988963804 1105407247 /nfs/dbraw/zinc/40/72/47/1105407247.db2.gz YZVQYTXNIUXZPT-QFBILLFUSA-N 1 3 343.515 2.812 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)c1 ZINC000988963805 1105407449 /nfs/dbraw/zinc/40/74/49/1105407449.db2.gz YZVQYTXNIUXZPT-VQIMIIECSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)CN1C(=O)CN(C)C1CCC1 ZINC000988967824 1105411424 /nfs/dbraw/zinc/41/14/24/1105411424.db2.gz PUSSCKBUFVAYQO-YOEHRIQHSA-N 1 3 349.906 2.903 20 0 EFADHO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CCN(C(C)C)CC1 ZINC000925304729 1105642025 /nfs/dbraw/zinc/64/20/25/1105642025.db2.gz XSZPDWOFMXGQBV-IFXJQAMLSA-N 1 3 335.467 2.854 20 0 EFADHO C=CCN1CCC(NC(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000080121138 1105674415 /nfs/dbraw/zinc/67/44/15/1105674415.db2.gz YDAZWAQFIXYUIT-UHFFFAOYSA-N 1 3 348.535 2.733 20 0 EFADHO Cc1ccc(F)c(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)[C@H]2C)c1 ZINC001088666517 1105734262 /nfs/dbraw/zinc/73/42/62/1105734262.db2.gz JOHHZGOOBZXSBA-MNEFBYGVSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCN3C)[C@H]2C)c1 ZINC001088666517 1105734266 /nfs/dbraw/zinc/73/42/66/1105734266.db2.gz JOHHZGOOBZXSBA-MNEFBYGVSA-N 1 3 347.478 2.697 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H]1c1ccccc1 ZINC000897576082 1105769864 /nfs/dbraw/zinc/76/98/64/1105769864.db2.gz CUPAOUIBAITFFW-UFYCRDLUSA-N 1 3 341.499 2.813 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCN2C2CC2)[C@@H]1c1ccccc1 ZINC000897576082 1105769869 /nfs/dbraw/zinc/76/98/69/1105769869.db2.gz CUPAOUIBAITFFW-UFYCRDLUSA-N 1 3 341.499 2.813 20 0 EFADHO C[C@H]1C[C@H](NCc2ccccc2Cl)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989389099 1105839888 /nfs/dbraw/zinc/83/98/88/1105839888.db2.gz IAXCOBRFIKKGSN-YOEHRIQHSA-N 1 3 349.906 2.761 20 0 EFADHO CCN(CC)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CC2CC2)CCC1 ZINC001105568594 1105947361 /nfs/dbraw/zinc/94/73/61/1105947361.db2.gz ULMWAPRLXQFQLU-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C1(C[NH2+]CC2CC2)CCC1)N(C)C ZINC001105565813 1105954733 /nfs/dbraw/zinc/95/47/33/1105954733.db2.gz BNUFSGMSEHVDPN-ZWKOTPCHSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N(C)CC(=O)N1CCCC[C@H]1C1(C[NH2+]CCCF)CCC1 ZINC001105578966 1105973267 /nfs/dbraw/zinc/97/32/67/1105973267.db2.gz IPFPCHZUCCEHGE-KRWDZBQOSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449173 1106182481 /nfs/dbraw/zinc/18/24/81/1106182481.db2.gz DNWMJGGOCNOTTQ-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H](NCc2ccccc2F)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449173 1106182488 /nfs/dbraw/zinc/18/24/88/1106182488.db2.gz DNWMJGGOCNOTTQ-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000989449171 1106183041 /nfs/dbraw/zinc/18/30/41/1106183041.db2.gz DNWMJGGOCNOTTQ-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000989449171 1106183043 /nfs/dbraw/zinc/18/30/43/1106183043.db2.gz DNWMJGGOCNOTTQ-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989449688 1106208850 /nfs/dbraw/zinc/20/88/50/1106208850.db2.gz KPMGXXFPQLEPKX-MJGOQNOKSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989451096 1106220194 /nfs/dbraw/zinc/22/01/94/1106220194.db2.gz QYGIWNDBSTXZKG-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452394 1106229926 /nfs/dbraw/zinc/22/99/26/1106229926.db2.gz YYRIQVZAMUBLPP-FUHWJXTLSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989452396 1106229945 /nfs/dbraw/zinc/22/99/45/1106229945.db2.gz YYRIQVZAMUBLPP-WMZOPIPTSA-N 1 3 347.547 2.878 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)CN1C(=O)Cc1c[nH]cn1 ZINC000989490773 1106364319 /nfs/dbraw/zinc/36/43/19/1106364319.db2.gz AGEBTEPEPSTDAH-YOEHRIQHSA-N 1 3 332.492 2.748 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000989488852 1106371740 /nfs/dbraw/zinc/37/17/40/1106371740.db2.gz UTMHXMUPPNYKJD-SJLPKXTDSA-N 1 3 340.471 2.657 20 0 EFADHO CC[C@H](F)C[NH2+]CC1(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001168302586 1106436898 /nfs/dbraw/zinc/43/68/98/1106436898.db2.gz VTRSDAWELXZEFB-SFHVURJKSA-N 1 3 349.494 2.986 20 0 EFADHO C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CN1C(=O)CN1CCC(C)CC1 ZINC000989604907 1106480554 /nfs/dbraw/zinc/48/05/54/1106480554.db2.gz GVEQVKFKVAMKJC-LPHOPBHVSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCC(C)CC2)C1 ZINC000989604642 1106480721 /nfs/dbraw/zinc/48/07/21/1106480721.db2.gz DNQTUUCMKHMOKG-AZUAARDMSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000989605808 1106481426 /nfs/dbraw/zinc/48/14/26/1106481426.db2.gz MNHMQXUYDHXPSE-HKUYNNGSSA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000989663027 1106524618 /nfs/dbraw/zinc/52/46/18/1106524618.db2.gz ZAVBDVZCVDGHEW-ZWKOTPCHSA-N 1 3 329.488 2.542 20 0 EFADHO Cc1ccccc1[C@H](C)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989663027 1106524622 /nfs/dbraw/zinc/52/46/22/1106524622.db2.gz ZAVBDVZCVDGHEW-ZWKOTPCHSA-N 1 3 329.488 2.542 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737686 1106615242 /nfs/dbraw/zinc/61/52/42/1106615242.db2.gz WBXTXLURCONDSQ-MRXNPFEDSA-N 1 3 335.467 2.644 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC000989737686 1106615245 /nfs/dbraw/zinc/61/52/45/1106615245.db2.gz WBXTXLURCONDSQ-MRXNPFEDSA-N 1 3 335.467 2.644 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCCN(CC[C@@H](C)F)CC1)[NH+]1CCCCC1 ZINC000989738424 1106616184 /nfs/dbraw/zinc/61/61/84/1106616184.db2.gz AXQTUBJVGWWXRB-MSOLQXFVSA-N 1 3 341.515 2.779 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000989798539 1106669861 /nfs/dbraw/zinc/66/98/61/1106669861.db2.gz AZTRQZRLNNAEHG-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CN1C(=O)CN1CCCC1 ZINC000989798538 1106670208 /nfs/dbraw/zinc/67/02/08/1106670208.db2.gz AZTRQZRLNNAEHG-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989798846 1106670223 /nfs/dbraw/zinc/67/02/23/1106670223.db2.gz GQUYQHZFNZJUPS-QAPCUYQASA-N 1 3 349.906 2.823 20 0 EFADHO C[NH+](C)C1CCC(N2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)CC1 ZINC001168319466 1106678058 /nfs/dbraw/zinc/67/80/58/1106678058.db2.gz UJSZCZMXQQICLG-BACDZXNISA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccsc2)CN1C(=O)CC[NH+]1CCCCC1 ZINC000989829767 1106688214 /nfs/dbraw/zinc/68/82/14/1106688214.db2.gz WIKRNMKYWCVVTE-NVXWUHKLSA-N 1 3 335.517 2.703 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001168320929 1106704335 /nfs/dbraw/zinc/70/43/35/1106704335.db2.gz WCWOUONWHCLENA-UHFFFAOYSA-N 1 3 335.467 2.542 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320570 1106711355 /nfs/dbraw/zinc/71/13/55/1106711355.db2.gz CRXXVOLNVJIGHR-UHFFFAOYSA-N 1 3 349.494 2.850 20 0 EFADHO CCc1ccccc1C[NH2+]CC1(CCNC(=O)CN(C)C(C)C)CC1 ZINC001168320782 1106715977 /nfs/dbraw/zinc/71/59/77/1106715977.db2.gz OTWNOIMOTCYSCO-UHFFFAOYSA-N 1 3 345.531 2.965 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(C1CCC([NH+](C)C)CC1)[C@H]2C ZINC001168322319 1106722717 /nfs/dbraw/zinc/72/27/17/1106722717.db2.gz RVKDRPWUOPGVRY-AOCRQIFASA-N 1 3 347.551 2.973 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862594 1106762481 /nfs/dbraw/zinc/76/24/81/1106762481.db2.gz IFLCFBHIZBKSCP-XLIONFOSSA-N 1 3 343.515 2.950 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)c1 ZINC001088980705 1107197404 /nfs/dbraw/zinc/19/74/04/1107197404.db2.gz PFVMLHXASPNKTD-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)c1 ZINC001088980705 1107197412 /nfs/dbraw/zinc/19/74/12/1107197412.db2.gz PFVMLHXASPNKTD-UXPWSPDFSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)N(C)C ZINC001040380111 1107231177 /nfs/dbraw/zinc/23/11/77/1107231177.db2.gz NLEAOONHYHKGKL-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2)N(C)C ZINC001040380111 1107231187 /nfs/dbraw/zinc/23/11/87/1107231187.db2.gz NLEAOONHYHKGKL-UYAOXDASSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001089038647 1107332822 /nfs/dbraw/zinc/33/28/22/1107332822.db2.gz FTXSLLMENFOQJG-YSGRDPCXSA-N 1 3 341.499 2.595 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1Cc1ccc(C2CC2)cc1 ZINC001089038647 1107332837 /nfs/dbraw/zinc/33/28/37/1107332837.db2.gz FTXSLLMENFOQJG-YSGRDPCXSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001168344419 1107367215 /nfs/dbraw/zinc/36/72/15/1107367215.db2.gz BMTJYKFGEGKVTN-KURKYZTESA-N 1 3 335.536 2.639 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@@H+]1CC1CCC1 ZINC001089061142 1107381008 /nfs/dbraw/zinc/38/10/08/1107381008.db2.gz ZJCACOSBNKABAU-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)c2ccccc2CN(C)C)CC[N@H+]1CC1CCC1 ZINC001089061142 1107381021 /nfs/dbraw/zinc/38/10/21/1107381021.db2.gz ZJCACOSBNKABAU-BEFAXECRSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)N(C)CC(=O)NCCC1(C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001168346175 1107389050 /nfs/dbraw/zinc/38/90/50/1107389050.db2.gz WCDDDKXDAIBDFO-UHFFFAOYSA-N 1 3 335.536 2.783 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000990243333 1107551636 /nfs/dbraw/zinc/55/16/36/1107551636.db2.gz DJKGZLYVNONFGU-GOSISDBHSA-N 1 3 349.906 2.823 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1F ZINC000990243239 1107551753 /nfs/dbraw/zinc/55/17/53/1107551753.db2.gz CTLGIDQFAXDPPX-KSSFIOAISA-N 1 3 333.451 2.562 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000990244994 1107553780 /nfs/dbraw/zinc/55/37/80/1107553780.db2.gz SVDFABOJVSNBLG-AWEZNQCLSA-N 1 3 341.908 2.576 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000990275571 1107587793 /nfs/dbraw/zinc/58/77/93/1107587793.db2.gz BDVISUYLBKDMGW-VQTJNVASSA-N 1 3 341.499 2.739 20 0 EFADHO COCCOc1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1OC ZINC001168369203 1107763266 /nfs/dbraw/zinc/76/32/66/1107763266.db2.gz ZKFFRZAWZMUSMO-UHFFFAOYSA-N 1 3 348.487 2.684 20 0 EFADHO CC(C)(C)CC[C@H](N)C[NH2+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000904361152 1107846058 /nfs/dbraw/zinc/84/60/58/1107846058.db2.gz WNQXCMUSQYNNJF-RBUKOAKNSA-N 1 3 333.520 2.803 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001089187080 1107886334 /nfs/dbraw/zinc/88/63/34/1107886334.db2.gz VBODGDHLWJPBCM-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001089187080 1107886346 /nfs/dbraw/zinc/88/63/46/1107886346.db2.gz VBODGDHLWJPBCM-TVPLGVNVSA-N 1 3 335.536 2.830 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483693880 1107941667 /nfs/dbraw/zinc/94/16/67/1107941667.db2.gz QKEPXHPFFVWUDN-ZWKOTPCHSA-N 1 3 331.504 2.978 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCN1[C@@H](C)c1ccccc1C ZINC001483693880 1107941674 /nfs/dbraw/zinc/94/16/74/1107941674.db2.gz QKEPXHPFFVWUDN-ZWKOTPCHSA-N 1 3 331.504 2.978 20 0 EFADHO COC(=O)c1ccc(CN2CCC(C[NH3+])(c3ccccc3)CC2)o1 ZINC000904458650 1107954479 /nfs/dbraw/zinc/95/44/79/1107954479.db2.gz DJDZTGGGIUYITD-UHFFFAOYSA-N 1 3 328.412 2.559 20 0 EFADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000904468430 1107959858 /nfs/dbraw/zinc/95/98/58/1107959858.db2.gz CKLMUNXOOIFIHP-RLLQIKCJSA-N 1 3 343.515 2.890 20 0 EFADHO Cc1ccc(C)c(C2CC[NH+](C[C@H]3CCCN(C(=O)CN)C3)CC2)c1 ZINC000904472065 1107961282 /nfs/dbraw/zinc/96/12/82/1107961282.db2.gz GFYLIPNLKVJKDQ-GOSISDBHSA-N 1 3 343.515 2.680 20 0 EFADHO C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089226630 1108083462 /nfs/dbraw/zinc/08/34/62/1108083462.db2.gz IWJFPRJYALSEMB-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001089226630 1108083474 /nfs/dbraw/zinc/08/34/74/1108083474.db2.gz IWJFPRJYALSEMB-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)Nc2ccccc2C[NH3+])CN1Cc1ccccc1 ZINC000904651682 1108087680 /nfs/dbraw/zinc/08/76/80/1108087680.db2.gz GMGLBRHGHQEQLF-MAUKXSAKSA-N 1 3 338.455 2.930 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001089227001 1108089134 /nfs/dbraw/zinc/08/91/34/1108089134.db2.gz OCLQFLOIHQANQO-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001089227001 1108089148 /nfs/dbraw/zinc/08/91/48/1108089148.db2.gz OCLQFLOIHQANQO-HKUYNNGSSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2ccc(F)c(CNCCO)c2)c1 ZINC000904751640 1108134154 /nfs/dbraw/zinc/13/41/54/1108134154.db2.gz OBFIWJNWZSOWLX-UHFFFAOYSA-N 1 3 332.419 2.515 20 0 EFADHO COc1ccc([C@H](CN2CCCC2)NC(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC001649002247 1108163803 /nfs/dbraw/zinc/16/38/03/1108163803.db2.gz NYNDLWULWVYSEJ-ZWKOTPCHSA-N 1 3 347.503 2.712 20 0 EFADHO CC(C)C[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001272413261 1108220693 /nfs/dbraw/zinc/22/06/93/1108220693.db2.gz SMKAXQOGJODJIS-IBGZPJMESA-N 1 3 343.515 2.870 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421708 1108251534 /nfs/dbraw/zinc/25/15/34/1108251534.db2.gz OWHUSQWAUBHHJU-UZLBHIALSA-N 1 3 329.488 2.584 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)c1ccccc1N(CCN(C)C)C2=O ZINC001272421708 1108251542 /nfs/dbraw/zinc/25/15/42/1108251542.db2.gz OWHUSQWAUBHHJU-UZLBHIALSA-N 1 3 329.488 2.584 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393414 1108345361 /nfs/dbraw/zinc/34/53/61/1108345361.db2.gz BNZGCBYZGWSQTD-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001040393414 1108345376 /nfs/dbraw/zinc/34/53/76/1108345376.db2.gz BNZGCBYZGWSQTD-UYAOXDASSA-N 1 3 333.520 2.609 20 0 EFADHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001409436665 1108379994 /nfs/dbraw/zinc/37/99/94/1108379994.db2.gz BIWPRFIZTRFCIS-SFHVURJKSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@](O)(CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254735 1108546834 /nfs/dbraw/zinc/54/68/34/1108546834.db2.gz OSXWKOHKVCRJTJ-MAUKXSAKSA-N 1 3 326.431 2.893 20 0 EFADHO C[C@@](O)(CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(F)F ZINC000905254735 1108546843 /nfs/dbraw/zinc/54/68/43/1108546843.db2.gz OSXWKOHKVCRJTJ-MAUKXSAKSA-N 1 3 326.431 2.893 20 0 EFADHO CN(C)CCN1c2ccccc2C2(CC[NH+](CC3CCC3)CC2)C1=O ZINC001272516763 1108607666 /nfs/dbraw/zinc/60/76/66/1108607666.db2.gz KDIHVYLMXGSGMX-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203432015 1108629337 /nfs/dbraw/zinc/62/93/37/1108629337.db2.gz ZDHCZLKVTOYBPL-QBFSEMIESA-N 1 3 336.307 2.618 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203432015 1108629340 /nfs/dbraw/zinc/62/93/40/1108629340.db2.gz ZDHCZLKVTOYBPL-QBFSEMIESA-N 1 3 336.307 2.618 20 0 EFADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCCN(CCc2cccs2)C1 ZINC001266246434 1108671730 /nfs/dbraw/zinc/67/17/30/1108671730.db2.gz PMJKECXZHRBKOU-MRXNPFEDSA-N 1 3 337.533 2.603 20 0 EFADHO CC(C)=CCN1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088770073 1108726820 /nfs/dbraw/zinc/72/68/20/1108726820.db2.gz WNTTUVCDCXENJR-XLIONFOSSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001075334700 1108779846 /nfs/dbraw/zinc/77/98/46/1108779846.db2.gz CEXSMCSEDWRYTC-WBVHZDCISA-N 1 3 330.476 2.527 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c1 ZINC001075335582 1108782474 /nfs/dbraw/zinc/78/24/74/1108782474.db2.gz PRYIRJGRXUJYJV-FUHWJXTLSA-N 1 3 340.471 2.535 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102475541 1108829896 /nfs/dbraw/zinc/82/98/96/1108829896.db2.gz SJBLGQMNXFRZIB-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001102475541 1108829899 /nfs/dbraw/zinc/82/98/99/1108829899.db2.gz SJBLGQMNXFRZIB-RCCFBDPRSA-N 1 3 325.541 2.695 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1)N(C)C ZINC001030021633 1108891900 /nfs/dbraw/zinc/89/19/00/1108891900.db2.gz IRDUGVFMJVPNNL-WDSOQIARSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)C1)N(C)C ZINC001030021689 1108893503 /nfs/dbraw/zinc/89/35/03/1108893503.db2.gz GEUPSBNINFWMFO-AYBZRNKSSA-N 1 3 347.503 2.677 20 0 EFADHO COc1cccc(CN2CC[C@H]([NH2+]C3CCN(CC4CC4)CC3)C2)c1 ZINC001168365625 1109323576 /nfs/dbraw/zinc/32/35/76/1109323576.db2.gz ATCBBBRWYNSJJF-FQEVSTJZSA-N 1 3 343.515 2.734 20 0 EFADHO CCC1([NH+]2CCC2)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC000899562925 1109394596 /nfs/dbraw/zinc/39/45/96/1109394596.db2.gz MDKYMVMZPZCJJX-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO Fc1ccc(CN2CC[C@@H]([NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC001168366061 1109492699 /nfs/dbraw/zinc/49/26/99/1109492699.db2.gz JHDHSCOKLUJRCC-HXUWFJFHSA-N 1 3 331.479 2.864 20 0 EFADHO Fc1ccc(CN2CC[C@@H](NC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168366061 1109492701 /nfs/dbraw/zinc/49/27/01/1109492701.db2.gz JHDHSCOKLUJRCC-HXUWFJFHSA-N 1 3 331.479 2.864 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)C1 ZINC001076161076 1109683857 /nfs/dbraw/zinc/68/38/57/1109683857.db2.gz FXOWDAHSCLJMAA-IPMKNSEASA-N 1 3 333.520 2.607 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H]3CN(CC=C(C)C)C[C@H]32)C1 ZINC001076161076 1109683858 /nfs/dbraw/zinc/68/38/58/1109683858.db2.gz FXOWDAHSCLJMAA-IPMKNSEASA-N 1 3 333.520 2.607 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001076324634 1109767718 /nfs/dbraw/zinc/76/77/18/1109767718.db2.gz WZTOBWTUICMKJO-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)N1CCCCCC1 ZINC001076324634 1109767722 /nfs/dbraw/zinc/76/77/22/1109767722.db2.gz WZTOBWTUICMKJO-NZSAHSFTSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324410 1109767756 /nfs/dbraw/zinc/76/77/56/1109767756.db2.gz RTHACADILONDAA-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)N3CCCCCC3)[C@@H]2C1 ZINC001076324410 1109767760 /nfs/dbraw/zinc/76/77/60/1109767760.db2.gz RTHACADILONDAA-CEXWTWQISA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)CC1CC[NH+](C)CC1 ZINC001483171870 1109929218 /nfs/dbraw/zinc/92/92/18/1109929218.db2.gz BUZBQHDINRCPFU-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNCc1cc(Br)nn1C ZINC000785418743 1110060813 /nfs/dbraw/zinc/06/08/13/1110060813.db2.gz ZNAJDSOWVAKRMV-ZDUSSCGKSA-N 1 3 343.313 2.927 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNCc1cc(Br)nn1C ZINC000785418743 1110060816 /nfs/dbraw/zinc/06/08/16/1110060816.db2.gz ZNAJDSOWVAKRMV-ZDUSSCGKSA-N 1 3 343.313 2.927 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001106256095 1111234277 /nfs/dbraw/zinc/23/42/77/1111234277.db2.gz XTVXAYLIGUTTAF-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)(C(=O)NCCNCc1ccc(Cl)s1)[NH+]1CCCCC1 ZINC001127317078 1111346686 /nfs/dbraw/zinc/34/66/86/1111346686.db2.gz IFHZFIRDDDKWJU-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO Cc1ccc(C)c(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001127317247 1111348637 /nfs/dbraw/zinc/34/86/37/1111348637.db2.gz LFMWRJQUOUWCMK-UHFFFAOYSA-N 1 3 331.504 2.774 20 0 EFADHO CC(C)(C(=O)NCCNCc1cc2ccccc2o1)[NH+]1CCCCC1 ZINC001127317717 1111353120 /nfs/dbraw/zinc/35/31/20/1111353120.db2.gz VWLRZHSTNDWFMP-UHFFFAOYSA-N 1 3 343.471 2.903 20 0 EFADHO CCc1ccccc1CC[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322177 1111411220 /nfs/dbraw/zinc/41/12/20/1111411220.db2.gz MZTIOBLGTLLNFR-UHFFFAOYSA-N 1 3 345.531 2.762 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]Cc1ccc(Cl)cc1)N1CCCCC1 ZINC001127322186 1111411280 /nfs/dbraw/zinc/41/12/80/1111411280.db2.gz NKJBLXYYUSGPIP-UHFFFAOYSA-N 1 3 337.895 2.810 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCF)C12CCC2 ZINC001203505736 1111411765 /nfs/dbraw/zinc/41/17/65/1111411765.db2.gz FLXRXNUURLMIOI-IAGOWNOFSA-N 1 3 341.515 2.875 20 0 EFADHO CC(C)(C(=O)NCC[NH2+][C@@H]1CCc2ccccc21)N1CCCCC1 ZINC001127321743 1111412515 /nfs/dbraw/zinc/41/25/15/1111412515.db2.gz FGAITJFSYDVBCR-GOSISDBHSA-N 1 3 329.488 2.644 20 0 EFADHO CC(C)(C(=O)NCC[NH2+]CCCc1ccsc1)N1CCCCC1 ZINC001127322869 1111422876 /nfs/dbraw/zinc/42/28/76/1111422876.db2.gz ZILFLLMMMKNCAZ-UHFFFAOYSA-N 1 3 337.533 2.651 20 0 EFADHO CC(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225433 1111518437 /nfs/dbraw/zinc/51/84/37/1111518437.db2.gz VBBYOKGEEDLLSF-IAGOWNOFSA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001099225433 1111518440 /nfs/dbraw/zinc/51/84/40/1111518440.db2.gz VBBYOKGEEDLLSF-IAGOWNOFSA-N 1 3 325.541 2.835 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(CCCN(Cc3ccccc3F)CC2)C1=O ZINC001272595610 1111519280 /nfs/dbraw/zinc/51/92/80/1111519280.db2.gz WQNLFOZHDKECDC-FQEVSTJZSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CCCC3CCC3)[C@H](C)C2)C1 ZINC001106666689 1111709304 /nfs/dbraw/zinc/70/93/04/1111709304.db2.gz QSIZAHKDJSMNIA-YQVWRLOYSA-N 1 3 335.536 2.593 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106729091 1111769878 /nfs/dbraw/zinc/76/98/78/1111769878.db2.gz HTRDAQFYSYUGPI-XZRHIAIISA-N 1 3 341.927 2.686 20 0 EFADHO Cc1ccccc1C[N@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272636147 1111785349 /nfs/dbraw/zinc/78/53/49/1111785349.db2.gz AJDHDRIZQQWYFK-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCCC[C@@]12CC(=O)N(CCN(C)C)C2 ZINC001272636147 1111785352 /nfs/dbraw/zinc/78/53/52/1111785352.db2.gz AJDHDRIZQQWYFK-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO C[C@@H](Cc1cccc(F)c1)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001168499825 1111797831 /nfs/dbraw/zinc/79/78/31/1111797831.db2.gz GHPATSRLVABWDJ-KRWDZBQOSA-N 1 3 333.495 2.716 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(CF)cc2)[C@H](C)C1 ZINC001106779786 1111824828 /nfs/dbraw/zinc/82/48/28/1111824828.db2.gz WEDDFUDMGPNTJA-VQIMIIECSA-N 1 3 349.494 2.682 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC001106778283 1111825240 /nfs/dbraw/zinc/82/52/40/1111825240.db2.gz CIHMIXGQTBCVFR-IEYVCLCVSA-N 1 3 343.515 2.726 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CCCc2ccccc2)[C@H](C)C1 ZINC001106778844 1111825810 /nfs/dbraw/zinc/82/58/10/1111825810.db2.gz USFQUVKCLYDILI-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001106779129 1111826373 /nfs/dbraw/zinc/82/63/73/1111826373.db2.gz ZCMWXJMVSRUTTM-JFIYKMOQSA-N 1 3 349.494 2.913 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001106779420 1111826376 /nfs/dbraw/zinc/82/63/76/1111826376.db2.gz NSGUNDPBTPAGGR-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001106798460 1111850357 /nfs/dbraw/zinc/85/03/57/1111850357.db2.gz FXCHWMSZPWVBOJ-QZTJIDSGSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001089400284 1112070013 /nfs/dbraw/zinc/07/00/13/1112070013.db2.gz HPHBYOFAFNJSAV-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001089400284 1112070018 /nfs/dbraw/zinc/07/00/18/1112070018.db2.gz HPHBYOFAFNJSAV-QZTJIDSGSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001483774336 1112366971 /nfs/dbraw/zinc/36/69/71/1112366971.db2.gz SMGJTFCDHNMYOR-SFHVURJKSA-N 1 3 329.488 2.688 20 0 EFADHO Cc1ccc(C)c(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001409910326 1112394280 /nfs/dbraw/zinc/39/42/80/1112394280.db2.gz JMQFQLLQJKGPGS-KRWDZBQOSA-N 1 3 343.515 2.582 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031715333 1112416697 /nfs/dbraw/zinc/41/66/97/1112416697.db2.gz RPTLASGXCOBCED-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN([C@@H](C)c2ccccc2)C1 ZINC001031715333 1112416700 /nfs/dbraw/zinc/41/67/00/1112416700.db2.gz RPTLASGXCOBCED-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC2(NCCC(F)(F)F)CC2)cc1 ZINC001483777521 1112425419 /nfs/dbraw/zinc/42/54/19/1112425419.db2.gz GJXLEUAQXSZTEE-UHFFFAOYSA-N 1 3 343.393 2.553 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001089639263 1112428498 /nfs/dbraw/zinc/42/84/98/1112428498.db2.gz RWGYKJBRHYGNFB-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001089639263 1112428499 /nfs/dbraw/zinc/42/84/99/1112428499.db2.gz RWGYKJBRHYGNFB-QZTJIDSGSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001089639574 1112429646 /nfs/dbraw/zinc/42/96/46/1112429646.db2.gz XOPMEQQTWPKPNF-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001089639574 1112429650 /nfs/dbraw/zinc/42/96/50/1112429650.db2.gz XOPMEQQTWPKPNF-SJORKVTESA-N 1 3 341.515 2.826 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001483813579 1112482126 /nfs/dbraw/zinc/48/21/26/1112482126.db2.gz BIGBVULKXDFKQF-SFHVURJKSA-N 1 3 341.515 2.971 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001483813579 1112482127 /nfs/dbraw/zinc/48/21/27/1112482127.db2.gz BIGBVULKXDFKQF-SFHVURJKSA-N 1 3 341.515 2.971 20 0 EFADHO C[N@H+](CC(=O)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1)CC(C)(C)C ZINC001483849305 1112510326 /nfs/dbraw/zinc/51/03/26/1112510326.db2.gz SSLDHMWVZMRDQB-KRZKXXONSA-N 1 3 341.927 2.641 20 0 EFADHO C[N@@H+](CC(=O)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1)CC(C)(C)C ZINC001483849305 1112510330 /nfs/dbraw/zinc/51/03/30/1112510330.db2.gz SSLDHMWVZMRDQB-KRZKXXONSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]C/C=C/Cl)CCN1C(=O)CN(C)CC(C)(C)C ZINC001483910666 1112570199 /nfs/dbraw/zinc/57/01/99/1112570199.db2.gz DGRVKLFSSNGEJG-OCESRQBRSA-N 1 3 329.916 2.686 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)CC[N@@H+]1C ZINC001483929722 1112572222 /nfs/dbraw/zinc/57/22/22/1112572222.db2.gz NGZGMYGCDALRJD-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNCC=C(Cl)Cl)CC[N@H+]1C ZINC001483929722 1112572223 /nfs/dbraw/zinc/57/22/23/1112572223.db2.gz NGZGMYGCDALRJD-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO Cc1cc(CN2CCC(C)(NC(=O)C3(C[NH+](C)C)CC3)CC2)cs1 ZINC001483971251 1112602799 /nfs/dbraw/zinc/60/27/99/1112602799.db2.gz AXYGTLVORIOFJD-UHFFFAOYSA-N 1 3 349.544 2.869 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C)c2)[C@H](C)C1 ZINC001106905877 1112633604 /nfs/dbraw/zinc/63/36/04/1112633604.db2.gz LRYCNLUBZWUXHT-IEBWSBKVSA-N 1 3 331.504 2.521 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC001106906021 1112640692 /nfs/dbraw/zinc/64/06/92/1112640692.db2.gz SDPNLAWHOUAEDM-FFQNAWCLSA-N 1 3 343.515 2.726 20 0 EFADHO CCCC[NH+]1CCC(C)(CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001484141603 1112828870 /nfs/dbraw/zinc/82/88/70/1112828870.db2.gz IJWFWAHOTYABGP-UHFFFAOYSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)[C@H](C)C1 ZINC001106908023 1112868076 /nfs/dbraw/zinc/86/80/76/1112868076.db2.gz MESUVTLDCDNSHK-SOLBZPMBSA-N 1 3 349.494 2.913 20 0 EFADHO CCc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)[C@@H](CC)N(C)C)C2)cc1 ZINC001484548119 1112996324 /nfs/dbraw/zinc/99/63/24/1112996324.db2.gz VWIKWJJFRRKNNV-VQTJNVASSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCc1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC001484563344 1113018793 /nfs/dbraw/zinc/01/87/93/1113018793.db2.gz NCYRAZKSRLKBME-ZDUSSCGKSA-N 1 3 326.444 2.638 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c1 ZINC001484637855 1113089583 /nfs/dbraw/zinc/08/95/83/1113089583.db2.gz ULNDTRAGCXGUTI-UHFFFAOYSA-N 1 3 343.515 2.916 20 0 EFADHO CC(C)N1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001484825854 1117763920 /nfs/dbraw/zinc/76/39/20/1117763920.db2.gz XCPIBQNZRZQDHF-HXUWFJFHSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@@H]1C[C@@H]1C[NH+]1CCC2(CC1)c1ccccc1N(CCN(C)C)C2=O ZINC001272694657 1117945359 /nfs/dbraw/zinc/94/53/59/1117945359.db2.gz BULYTJIUWAWCPB-IAGOWNOFSA-N 1 3 341.499 2.584 20 0 EFADHO CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844945 1118240763 /nfs/dbraw/zinc/24/07/63/1118240763.db2.gz CJZMOKGTASDPAT-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089844945 1118240766 /nfs/dbraw/zinc/24/07/66/1118240766.db2.gz CJZMOKGTASDPAT-MANSERQUSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845497 1118242513 /nfs/dbraw/zinc/24/25/13/1118242513.db2.gz FPBVGJYFYOXMCV-MANSERQUSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCC1 ZINC001089845497 1118242518 /nfs/dbraw/zinc/24/25/18/1118242518.db2.gz FPBVGJYFYOXMCV-MANSERQUSA-N 1 3 347.547 2.686 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC1CC(C)C1 ZINC001485435731 1118348054 /nfs/dbraw/zinc/34/80/54/1118348054.db2.gz ZIIANHPUQBSJDG-ABHNRTSZSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1ccccc1CN1CC([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485526411 1118437310 /nfs/dbraw/zinc/43/73/10/1118437310.db2.gz JTFADQWHKBWJDA-QGZVFWFLSA-N 1 3 343.515 2.663 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001485534204 1118445336 /nfs/dbraw/zinc/44/53/36/1118445336.db2.gz XJANHGCDYHMHQH-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)C1CN(Cc2cc(C)cc(C)c2)C1 ZINC001485534204 1118445338 /nfs/dbraw/zinc/44/53/38/1118445338.db2.gz XJANHGCDYHMHQH-SFHVURJKSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)c1 ZINC000941237417 1118695742 /nfs/dbraw/zinc/69/57/42/1118695742.db2.gz NAYOLEBTYOQDLY-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)CC2(C)C)c1 ZINC000941237417 1118695744 /nfs/dbraw/zinc/69/57/44/1118695744.db2.gz NAYOLEBTYOQDLY-LJQANCHMSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001032027126 1118949747 /nfs/dbraw/zinc/94/97/47/1118949747.db2.gz OMPAZKZEKRIMKH-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CN(CC2=CCCCC2)C1 ZINC001032027126 1118949749 /nfs/dbraw/zinc/94/97/49/1118949749.db2.gz OMPAZKZEKRIMKH-IBGZPJMESA-N 1 3 333.520 2.798 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001032027397 1118950095 /nfs/dbraw/zinc/95/00/95/1118950095.db2.gz QOMMBFADWQREEU-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001032027397 1118950096 /nfs/dbraw/zinc/95/00/96/1118950096.db2.gz QOMMBFADWQREEU-FQEVSTJZSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558588 1118961660 /nfs/dbraw/zinc/96/16/60/1118961660.db2.gz YTRXHVRXEVRNDO-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)N1CCCC1 ZINC000942558588 1118961661 /nfs/dbraw/zinc/96/16/61/1118961661.db2.gz YTRXHVRXEVRNDO-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1CN(Cc2ccsc2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558588 1118961664 /nfs/dbraw/zinc/96/16/64/1118961664.db2.gz YTRXHVRXEVRNDO-NVXWUHKLSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1CN(CCC(F)(F)F)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942555158 1118965377 /nfs/dbraw/zinc/96/53/77/1118965377.db2.gz FKELEHKQXULIML-ZIAGYGMSSA-N 1 3 349.441 2.640 20 0 EFADHO Cc1cc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000942597592 1119002642 /nfs/dbraw/zinc/00/26/42/1119002642.db2.gz MIJRSWINYQQYHR-KSSFIOAISA-N 1 3 349.544 2.725 20 0 EFADHO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2CCCN2CCCCC2)N1C1CCCC1 ZINC001272717665 1119143577 /nfs/dbraw/zinc/14/35/77/1119143577.db2.gz ZFXOIVMUDYRBIW-RTBURBONSA-N 1 3 333.520 2.870 20 0 EFADHO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CCCN2CCCCC2)N1C1CCCC1 ZINC001272717665 1119143581 /nfs/dbraw/zinc/14/35/81/1119143581.db2.gz ZFXOIVMUDYRBIW-RTBURBONSA-N 1 3 333.520 2.870 20 0 EFADHO CC(C)CNC(=O)[C@@H]1CC12CC[NH+](CCCN1CCCCC1)CC2 ZINC001272719865 1119203270 /nfs/dbraw/zinc/20/32/70/1119203270.db2.gz WWJQVTCYQMSIIZ-SFHVURJKSA-N 1 3 335.536 2.737 20 0 EFADHO CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032182934 1119929424 /nfs/dbraw/zinc/92/94/24/1119929424.db2.gz WEUWUPBMBZRJFO-JXFKEZNVSA-N 1 3 343.515 2.871 20 0 EFADHO CC(C)c1ccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032182934 1119929427 /nfs/dbraw/zinc/92/94/27/1119929427.db2.gz WEUWUPBMBZRJFO-JXFKEZNVSA-N 1 3 343.515 2.871 20 0 EFADHO CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036400 1120016306 /nfs/dbraw/zinc/01/63/06/1120016306.db2.gz KZVIKJGCTKCVJR-YSNLUETFSA-N 1 3 335.536 2.901 20 0 EFADHO CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2CC)C[C@H]1C ZINC001107036392 1120016397 /nfs/dbraw/zinc/01/63/97/1120016397.db2.gz KZVIKJGCTKCVJR-IWOQZAADSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@H](C)C1 ZINC001107038746 1120043345 /nfs/dbraw/zinc/04/33/45/1120043345.db2.gz FUCSSZJSARVBCB-FFQNAWCLSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107040458 1120054620 /nfs/dbraw/zinc/05/46/20/1120054620.db2.gz FFXVRCKSYBPSIT-IEBWSBKVSA-N 1 3 331.504 2.519 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC001107040435 1120054963 /nfs/dbraw/zinc/05/49/63/1120054963.db2.gz DPYYRGFPERIVQF-YVWKXTFCSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001107040793 1120056209 /nfs/dbraw/zinc/05/62/09/1120056209.db2.gz NJYSVJFXWSCZEP-IEBWSBKVSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1F ZINC001107042483 1120068197 /nfs/dbraw/zinc/06/81/97/1120068197.db2.gz OGKREJYYCDWLFM-SJLPKXTDSA-N 1 3 349.494 2.658 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039191 1120077230 /nfs/dbraw/zinc/07/72/30/1120077230.db2.gz MOFYGOKCYNCJEH-RTBURBONSA-N 1 3 345.531 2.828 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C[C@@H]1C ZINC000944445965 1120194680 /nfs/dbraw/zinc/19/46/80/1120194680.db2.gz RNFSCSIVWFAOLI-YJBOKZPZSA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C[C@@H]1C ZINC000944445965 1120194681 /nfs/dbraw/zinc/19/46/81/1120194681.db2.gz RNFSCSIVWFAOLI-YJBOKZPZSA-N 1 3 344.503 2.978 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1C ZINC000944446213 1120195037 /nfs/dbraw/zinc/19/50/37/1120195037.db2.gz SMBQCAAMEHMVLC-YOEHRIQHSA-N 1 3 344.503 2.668 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C[C@@H]1C ZINC000944446213 1120195040 /nfs/dbraw/zinc/19/50/40/1120195040.db2.gz SMBQCAAMEHMVLC-YOEHRIQHSA-N 1 3 344.503 2.668 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)ccc2C)C1 ZINC001032205535 1120197274 /nfs/dbraw/zinc/19/72/74/1120197274.db2.gz BBLQAGDGFOBQCK-FQEVSTJZSA-N 1 3 343.515 2.726 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001032206013 1120199142 /nfs/dbraw/zinc/19/91/42/1120199142.db2.gz PDISDCAVYJAFKK-PXNSSMCTSA-N 1 3 343.515 2.978 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001032206077 1120199691 /nfs/dbraw/zinc/19/96/91/1120199691.db2.gz RGXRXWBOQUSWMF-GOSISDBHSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(CCc2ccccc2)CCN(C)C)CC1 ZINC000072985477 1120375013 /nfs/dbraw/zinc/37/50/13/1120375013.db2.gz UWQQIITZAUVTFA-UHFFFAOYSA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027808 1120517996 /nfs/dbraw/zinc/51/79/96/1120517996.db2.gz BTJIIVJPXVMABL-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945027808 1120518000 /nfs/dbraw/zinc/51/80/00/1120518000.db2.gz BTJIIVJPXVMABL-KXBFYZLASA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031359 1120522642 /nfs/dbraw/zinc/52/26/42/1120522642.db2.gz ZYAIZFNZWAFEOW-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC000945031359 1120522645 /nfs/dbraw/zinc/52/26/45/1120522645.db2.gz ZYAIZFNZWAFEOW-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000054509923 214242498 /nfs/dbraw/zinc/24/24/98/214242498.db2.gz NNGBQZRRRSVEOK-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000054509923 214242500 /nfs/dbraw/zinc/24/25/00/214242500.db2.gz NNGBQZRRRSVEOK-IBGZPJMESA-N 1 3 346.519 2.540 20 0 EFADHO C[NH2+]CCC1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000261982137 290642727 /nfs/dbraw/zinc/64/27/27/290642727.db2.gz IHKUCRVVNMMSFJ-OQNUJHGRSA-N 1 3 347.547 2.781 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353473102 295679875 /nfs/dbraw/zinc/67/98/75/295679875.db2.gz UILCHZLCXSCNSZ-GVDBMIGSSA-N 1 3 347.528 2.637 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000174851948 231324896 /nfs/dbraw/zinc/32/48/96/231324896.db2.gz TXDYGVJTKTXRII-AWEZNQCLSA-N 1 3 329.444 2.518 20 0 EFADHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC)c(OC)c1 ZINC000154263032 529597619 /nfs/dbraw/zinc/59/76/19/529597619.db2.gz NINDGQJYMGPKCP-SFHVURJKSA-N 1 3 349.519 2.772 20 0 EFADHO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000451455492 282238587 /nfs/dbraw/zinc/23/85/87/282238587.db2.gz JWWKEPRFQGKPFI-MSOLQXFVSA-N 1 3 329.488 2.718 20 0 EFADHO CN(C)[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422968424 282248684 /nfs/dbraw/zinc/24/86/84/282248684.db2.gz WVXBOVXKJTYJSR-HLIPFELVSA-N 1 3 341.455 2.728 20 0 EFADHO CN(Cc1cnn(Cc2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000187179854 530018162 /nfs/dbraw/zinc/01/81/62/530018162.db2.gz GVVSWWJUZQVQFM-UHFFFAOYSA-N 1 3 330.451 2.844 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1 ZINC000101602748 219143926 /nfs/dbraw/zinc/14/39/26/219143926.db2.gz FJMLXSXSTIAROO-SFHVURJKSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Nc1cccc(C)c1 ZINC000101602748 219143928 /nfs/dbraw/zinc/14/39/28/219143928.db2.gz FJMLXSXSTIAROO-SFHVURJKSA-N 1 3 332.492 2.875 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1 ZINC000101602725 219144221 /nfs/dbraw/zinc/14/42/21/219144221.db2.gz IVWFNLULCDCIHP-QGZVFWFLSA-N 1 3 336.455 2.706 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Nc1cccc(F)c1 ZINC000101602725 219144224 /nfs/dbraw/zinc/14/42/24/219144224.db2.gz IVWFNLULCDCIHP-QGZVFWFLSA-N 1 3 336.455 2.706 20 0 EFADHO C[C@@H](C(=O)NCc1cccc(OCC[NH+](C)C)c1)N1[C@H](C)CC[C@H]1C ZINC000101645991 219151132 /nfs/dbraw/zinc/15/11/32/219151132.db2.gz RUYFRUIIEPKQHG-ZACQAIPSSA-N 1 3 347.503 2.505 20 0 EFADHO C[C@@H](C(=O)NCc1ccccc1OCC[NH+](C)C)N1[C@H](C)CC[C@H]1C ZINC000101662847 219153963 /nfs/dbraw/zinc/15/39/63/219153963.db2.gz JQSVNOBWWRFXBL-ZACQAIPSSA-N 1 3 347.503 2.505 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCN2CCCC2)cc1 ZINC000178413529 232159290 /nfs/dbraw/zinc/15/92/90/232159290.db2.gz KMBOBSDAXQKLTR-HNNXBMFYSA-N 1 3 339.505 2.585 20 0 EFADHO C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000422197790 299145008 /nfs/dbraw/zinc/14/50/08/299145008.db2.gz GMZGQAVLZVRVMA-RXQRSOPUSA-N 1 3 346.519 2.850 20 0 EFADHO COc1cc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1 ZINC000067453146 215148283 /nfs/dbraw/zinc/14/82/83/215148283.db2.gz RWOPUBVDFAZLDS-HZPDHXFCSA-N 1 3 336.476 2.683 20 0 EFADHO CN(c1ccccc1C[NH2+]CCCOC(F)F)C1CCN(C)CC1 ZINC000193668795 282600264 /nfs/dbraw/zinc/60/02/64/282600264.db2.gz YIRVAJWCSNDHPO-UHFFFAOYSA-N 1 3 341.446 2.936 20 0 EFADHO CC(C)([NH3+])CNC1CCN(Cc2ccccc2Br)CC1 ZINC000414810559 535209417 /nfs/dbraw/zinc/20/94/17/535209417.db2.gz XUVZYXQPESWJCV-UHFFFAOYSA-N 1 3 340.309 2.740 20 0 EFADHO CC(C)(N)C[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414810559 535209419 /nfs/dbraw/zinc/20/94/19/535209419.db2.gz XUVZYXQPESWJCV-UHFFFAOYSA-N 1 3 340.309 2.740 20 0 EFADHO CN1CCN(CC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000349073830 282946011 /nfs/dbraw/zinc/94/60/11/282946011.db2.gz LITYOGGEKYRWRH-RTWAWAEBSA-N 1 3 327.516 2.750 20 0 EFADHO CCCN(C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)[C@@H]1CC[NH2+]C1 ZINC000416843638 283004325 /nfs/dbraw/zinc/00/43/25/283004325.db2.gz PBNGFANTXSCRPM-MOPGFXCFSA-N 1 3 346.519 2.635 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000355449825 283052473 /nfs/dbraw/zinc/05/24/73/283052473.db2.gz ZFJHCCMMPKZCCF-MJGOQNOKSA-N 1 3 331.504 2.840 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000355449825 283052476 /nfs/dbraw/zinc/05/24/76/283052476.db2.gz ZFJHCCMMPKZCCF-MJGOQNOKSA-N 1 3 331.504 2.840 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183326385 235009777 /nfs/dbraw/zinc/00/97/77/235009777.db2.gz UOCZYNSNZQJFEJ-UHFFFAOYSA-N 1 3 329.444 2.614 20 0 EFADHO CCC1(CC)[C@H]([NH2+]CCCN2CCN(C(C)C)CC2)[C@H](C)[C@@H]1OC ZINC000337459145 535274994 /nfs/dbraw/zinc/27/49/94/535274994.db2.gz JKCRSXUTZSPHAH-OTWHNJEPSA-N 1 3 339.568 2.832 20 0 EFADHO C[N@@H+]1CC[C@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535039 283170335 /nfs/dbraw/zinc/17/03/35/283170335.db2.gz MJTJSGZMSCDSHI-MOPGFXCFSA-N 1 3 337.508 2.661 20 0 EFADHO C[N@H+]1CC[C@]2(CCN(C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366535039 283170336 /nfs/dbraw/zinc/17/03/36/283170336.db2.gz MJTJSGZMSCDSHI-MOPGFXCFSA-N 1 3 337.508 2.661 20 0 EFADHO COC(=O)COc1c(C)cc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1C ZINC000422562928 291099067 /nfs/dbraw/zinc/09/90/67/291099067.db2.gz RBIZREBKZDBKDU-OWQGQXMQSA-N 1 3 348.487 2.660 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000037984607 213183574 /nfs/dbraw/zinc/18/35/74/213183574.db2.gz RVNQTRPYGNBCLL-WFASDCNBSA-N 1 3 327.266 2.556 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cccc(Br)c1 ZINC000037984608 213183602 /nfs/dbraw/zinc/18/36/02/213183602.db2.gz RVNQTRPYGNBCLL-DOMZBBRYSA-N 1 3 327.266 2.556 20 0 EFADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCc2ccccc21 ZINC000414679226 283289798 /nfs/dbraw/zinc/28/97/98/283289798.db2.gz RLGZUIHHLGBDOM-APWZRJJASA-N 1 3 329.488 2.583 20 0 EFADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CCc2ccccc21 ZINC000414679226 283289800 /nfs/dbraw/zinc/28/98/00/283289800.db2.gz RLGZUIHHLGBDOM-APWZRJJASA-N 1 3 329.488 2.583 20 0 EFADHO C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000129478078 223059742 /nfs/dbraw/zinc/05/97/42/223059742.db2.gz JTSGLOUNWNUYIK-INIZCTEOSA-N 1 3 325.456 2.829 20 0 EFADHO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000171452547 296015101 /nfs/dbraw/zinc/01/51/01/296015101.db2.gz VMLASNFIXONUQF-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](N2CCCC2)C1 ZINC000171452547 296015104 /nfs/dbraw/zinc/01/51/04/296015104.db2.gz VMLASNFIXONUQF-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000238070356 283551360 /nfs/dbraw/zinc/55/13/60/283551360.db2.gz OMFUJXSGWCGZKU-UXHICEINSA-N 1 3 343.515 2.671 20 0 EFADHO C[NH+](C)Cc1cccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000130452821 223154102 /nfs/dbraw/zinc/15/41/02/223154102.db2.gz JSUZGOXUGUXRRU-QGZVFWFLSA-N 1 3 333.476 2.847 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])N(C)Cc1ccccc1 ZINC000168753436 239126162 /nfs/dbraw/zinc/12/61/62/239126162.db2.gz HDUHPVAETDARGX-NEWSRXKRSA-N 1 3 331.504 2.921 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc(OCCN(C)C)c1 ZINC000132055790 223295928 /nfs/dbraw/zinc/29/59/28/223295928.db2.gz AXMPAYLDFLIJHS-YLJYHZDGSA-N 1 3 342.483 2.881 20 0 EFADHO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCCN(C)C)c1 ZINC000193129822 240085410 /nfs/dbraw/zinc/08/54/10/240085410.db2.gz ISBKNDVGSWFYIJ-MAUKXSAKSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@H](C(=O)NC1(C)CC[NH2+]CC1)N1CCC(Cc2ccccc2)CC1 ZINC000193363061 240099912 /nfs/dbraw/zinc/09/99/12/240099912.db2.gz ALIVLFFQWYXETH-QGZVFWFLSA-N 1 3 343.515 2.588 20 0 EFADHO NC[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000193437684 240166632 /nfs/dbraw/zinc/16/66/32/240166632.db2.gz TUDXCEBKNNWUMH-LJQANCHMSA-N 1 3 325.456 2.736 20 0 EFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)NCCC[N@H+](C)C1CCCCC1)CC2 ZINC000229928565 242216732 /nfs/dbraw/zinc/21/67/32/242216732.db2.gz MLXLIIALFWLAAB-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO CN1[C@@H]2CC[C@H]1CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)CC2 ZINC000229928565 242216735 /nfs/dbraw/zinc/21/67/35/242216735.db2.gz MLXLIIALFWLAAB-MSOLQXFVSA-N 1 3 336.524 2.519 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]2CN(CCOc3cccc(Br)c3)C[C@@H]21 ZINC000230131968 242234969 /nfs/dbraw/zinc/23/49/69/242234969.db2.gz UOADIYOGYVXGOY-VBNZEHGJSA-N 1 3 339.277 2.887 20 0 EFADHO C[C@H](CC(=O)N1CCN(C2CCC(C)CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000236787880 242357521 /nfs/dbraw/zinc/35/75/21/242357521.db2.gz SQIAFMUZPMBCTH-QGLXBCBXSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000236795875 242360465 /nfs/dbraw/zinc/36/04/65/242360465.db2.gz KTUHYXSJZUCRTP-INIZCTEOSA-N 1 3 331.460 2.940 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000236652968 242305921 /nfs/dbraw/zinc/30/59/21/242305921.db2.gz XGTMGKSFCJKXQF-ICSRJNTNSA-N 1 3 329.488 2.575 20 0 EFADHO CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000236650859 242306410 /nfs/dbraw/zinc/30/64/10/242306410.db2.gz NOJSZZVOGQMBLH-QGZVFWFLSA-N 1 3 331.504 2.875 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)C[C@H](N)c2ccccc2)c1 ZINC000236876624 242393136 /nfs/dbraw/zinc/39/31/36/242393136.db2.gz ZHGAWANLTGXYFQ-IBGZPJMESA-N 1 3 325.456 2.845 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](N)c2ccccc2)c1 ZINC000236876624 242393140 /nfs/dbraw/zinc/39/31/40/242393140.db2.gz ZHGAWANLTGXYFQ-IBGZPJMESA-N 1 3 325.456 2.845 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236883339 242394552 /nfs/dbraw/zinc/39/45/52/242394552.db2.gz LAGHZMGSBNSUOO-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236883339 242394558 /nfs/dbraw/zinc/39/45/58/242394558.db2.gz LAGHZMGSBNSUOO-FCEWJHQRSA-N 1 3 331.504 2.908 20 0 EFADHO CC[NH+](CC)CCOc1ccc(CNC(=O)C2(N)CCCCC2)cc1 ZINC000236881761 242394846 /nfs/dbraw/zinc/39/48/46/242394846.db2.gz IBWQSQWSILSPAC-UHFFFAOYSA-N 1 3 347.503 2.685 20 0 EFADHO CCC[C@H](N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000236887148 242396758 /nfs/dbraw/zinc/39/67/58/242396758.db2.gz ZJXQYHGIVNTFMD-MDZRGWNJSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[NH2+]2)CCN1Cc1ccccc1 ZINC000237528677 242677881 /nfs/dbraw/zinc/67/78/81/242677881.db2.gz LUYVLTXLBJDTMW-WDSOQIARSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@@H+]1C ZINC000412139447 243165187 /nfs/dbraw/zinc/16/51/87/243165187.db2.gz RZPLXWJZXJSLIV-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)CC[N@H+]1C ZINC000412139447 243165192 /nfs/dbraw/zinc/16/51/92/243165192.db2.gz RZPLXWJZXJSLIV-VQIMIIECSA-N 1 3 329.488 2.885 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN3CCCCC3)c2)C[C@H]1[NH+](C)C ZINC000412144086 243165721 /nfs/dbraw/zinc/16/57/21/243165721.db2.gz APJPMTMNUHDIMQ-VQIMIIECSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412330737 243272418 /nfs/dbraw/zinc/27/24/18/243272418.db2.gz AKYRMIPNRTWJAX-JTOWHCCKSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@@H](C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412330737 243272422 /nfs/dbraw/zinc/27/24/22/243272422.db2.gz AKYRMIPNRTWJAX-JTOWHCCKSA-N 1 3 335.467 2.806 20 0 EFADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000246889102 243332363 /nfs/dbraw/zinc/33/23/63/243332363.db2.gz IUDFCDWDVVNEHY-JQHSSLGASA-N 1 3 347.478 2.624 20 0 EFADHO CCC[C@]1(CO)CCC[N@H+]1CCCN1CCC[C@]1(CO)CCC ZINC000444767611 284071223 /nfs/dbraw/zinc/07/12/23/284071223.db2.gz QTTOGGWFFRBVFF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO CCC[C@]1(CO)CCC[N@@H+]1CCCN1CCC[C@]1(CO)CCC ZINC000444767611 284071224 /nfs/dbraw/zinc/07/12/24/284071224.db2.gz QTTOGGWFFRBVFF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO CCC[C@]1(CO)CCCN1CCC[N@@H+]1CCC[C@]1(CO)CCC ZINC000444767611 284071225 /nfs/dbraw/zinc/07/12/25/284071225.db2.gz QTTOGGWFFRBVFF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO CCC[C@]1(CO)CCCN1CCC[N@H+]1CCC[C@]1(CO)CCC ZINC000444767611 284071226 /nfs/dbraw/zinc/07/12/26/284071226.db2.gz QTTOGGWFFRBVFF-KDURUIRLSA-N 1 3 326.525 2.631 20 0 EFADHO C[C@H](NCCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccn(C)n1 ZINC000414092133 244002441 /nfs/dbraw/zinc/00/24/41/244002441.db2.gz DWLUTFOMILABNI-KRWDZBQOSA-N 1 3 342.487 2.788 20 0 EFADHO CN1CCC(C[NH2+][C@@H](c2ccccc2)C2CC2)(N2CCOCC2)CC1 ZINC000414190035 244038464 /nfs/dbraw/zinc/03/84/64/244038464.db2.gz KDINDQFBADHVBN-FQEVSTJZSA-N 1 3 343.515 2.524 20 0 EFADHO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 ZINC000414322198 244087010 /nfs/dbraw/zinc/08/70/10/244087010.db2.gz GGXHCYUVURUVJB-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414331776 244089381 /nfs/dbraw/zinc/08/93/81/244089381.db2.gz UIEUEFVPPOYDPT-BEFAXECRSA-N 1 3 329.488 2.662 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2cccc(F)c2)nc1C ZINC000414359522 244102556 /nfs/dbraw/zinc/10/25/56/244102556.db2.gz DWHFLNFDKWOCHV-LJQANCHMSA-N 1 3 348.466 2.766 20 0 EFADHO CCc1ncc(CN(C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000414429901 244153313 /nfs/dbraw/zinc/15/33/13/244153313.db2.gz IXRHTZSXSIFCSI-UHFFFAOYSA-N 1 3 325.460 2.782 20 0 EFADHO CC[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)c1ccccc1 ZINC000414489457 244191308 /nfs/dbraw/zinc/19/13/08/244191308.db2.gz WDSRRPPTPALVMK-IBGZPJMESA-N 1 3 345.531 2.566 20 0 EFADHO CC[C@@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@H](O)C(C)C ZINC000414527685 244211534 /nfs/dbraw/zinc/21/15/34/244211534.db2.gz NGANXOXMLYUIIH-UYAOXDASSA-N 1 3 333.520 2.714 20 0 EFADHO CC[C@H]([NH2+]Cc1ccccc1N1CCN(CC)CC1)[C@@H](O)C(C)C ZINC000414527683 244211657 /nfs/dbraw/zinc/21/16/57/244211657.db2.gz NGANXOXMLYUIIH-ICSRJNTNSA-N 1 3 333.520 2.714 20 0 EFADHO CC(C)CCC[NH2+]Cc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000414550335 244226372 /nfs/dbraw/zinc/22/63/72/244226372.db2.gz DAPCUWOCMCWNSB-UHFFFAOYSA-N 1 3 331.504 2.910 20 0 EFADHO Cc1cccc(NC(=O)N2CCN(C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414690403 244293825 /nfs/dbraw/zinc/29/38/25/244293825.db2.gz HTXDSHNTTCSPQD-IRXDYDNUSA-N 1 3 330.476 2.533 20 0 EFADHO C[C@@H]1C[C@H](CN(C)[C@@H](c2cnn(C)c2)c2cccc(F)c2)CC[NH2+]1 ZINC000414691254 244294475 /nfs/dbraw/zinc/29/44/75/244294475.db2.gz JQSCEXXXZNIYOO-SPYBWZPUSA-N 1 3 330.451 2.969 20 0 EFADHO COC(=O)CCN(Cc1cccc(F)c1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414693761 244294667 /nfs/dbraw/zinc/29/46/67/244294667.db2.gz FHSZTKQQXSLLEY-UONOGXRCSA-N 1 3 340.414 2.718 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414674668 244286071 /nfs/dbraw/zinc/28/60/71/244286071.db2.gz KZXSLTMTRIPLSO-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414674668 244286078 /nfs/dbraw/zinc/28/60/78/244286078.db2.gz KZXSLTMTRIPLSO-YOEHRIQHSA-N 1 3 335.879 2.674 20 0 EFADHO CCOc1ccc(CN2CCN(C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000414682570 244288065 /nfs/dbraw/zinc/28/80/65/244288065.db2.gz RMOQGZOXKCRBGC-PKOBYXMFSA-N 1 3 331.504 2.591 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000414689348 244290909 /nfs/dbraw/zinc/29/09/09/244290909.db2.gz KVFSWLOXWMNUNC-DOTOQJQBSA-N 1 3 349.906 2.544 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)C1 ZINC000414689348 244290916 /nfs/dbraw/zinc/29/09/16/244290916.db2.gz KVFSWLOXWMNUNC-DOTOQJQBSA-N 1 3 349.906 2.544 20 0 EFADHO CC(C)(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689887 244291543 /nfs/dbraw/zinc/29/15/43/244291543.db2.gz GVNGVQPZWJNLTB-SFHVURJKSA-N 1 3 331.504 2.732 20 0 EFADHO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414689887 244291550 /nfs/dbraw/zinc/29/15/50/244291550.db2.gz GVNGVQPZWJNLTB-SFHVURJKSA-N 1 3 331.504 2.732 20 0 EFADHO C[C@H]1C[C@H](CN2CCN(c3ccc(F)cc3Cl)CC2)CC[NH2+]1 ZINC000414715209 244304167 /nfs/dbraw/zinc/30/41/67/244304167.db2.gz YIODURUCNFRTOC-UONOGXRCSA-N 1 3 325.859 2.989 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414772054 244339552 /nfs/dbraw/zinc/33/95/52/244339552.db2.gz SGMXIHMQNBALAQ-IYBDPMFKSA-N 1 3 326.444 2.517 20 0 EFADHO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718530 244305479 /nfs/dbraw/zinc/30/54/79/244305479.db2.gz ZFLVCPYBDKDREK-PKOBYXMFSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)c1C ZINC000414718530 244305485 /nfs/dbraw/zinc/30/54/85/244305485.db2.gz ZFLVCPYBDKDREK-PKOBYXMFSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1ccc2cc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc2n1 ZINC000414772529 244338389 /nfs/dbraw/zinc/33/83/89/244338389.db2.gz CAFWCPVVOUFJPK-GOSISDBHSA-N 1 3 325.456 2.731 20 0 EFADHO CCCN(CC(=O)Nc1ccccc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735137 244316515 /nfs/dbraw/zinc/31/65/15/244316515.db2.gz LXMCRQWMUHTYCR-HOTGVXAUSA-N 1 3 333.476 2.734 20 0 EFADHO Clc1ccc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000414773591 244339617 /nfs/dbraw/zinc/33/96/17/244339617.db2.gz DOCGNGXAQVFWOT-GJZGRUSLSA-N 1 3 345.878 2.742 20 0 EFADHO CC[C@H](C[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760736 244331016 /nfs/dbraw/zinc/33/10/16/244331016.db2.gz ZJQXBDVQGWMUTC-QZTJIDSGSA-N 1 3 331.504 2.699 20 0 EFADHO CC[C@H](C[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1)c1ccccc1 ZINC000414760736 244331019 /nfs/dbraw/zinc/33/10/19/244331019.db2.gz ZJQXBDVQGWMUTC-QZTJIDSGSA-N 1 3 331.504 2.699 20 0 EFADHO COc1ccc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1OC ZINC000414773201 244339384 /nfs/dbraw/zinc/33/93/84/244339384.db2.gz DDKSTMZVAYQVRO-HUUCEWRRSA-N 1 3 334.460 2.534 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000414763861 244333650 /nfs/dbraw/zinc/33/36/50/244333650.db2.gz YEHGSDPSLHJUKK-DLBZAZTESA-N 1 3 347.478 2.593 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)C1 ZINC000414763861 244333659 /nfs/dbraw/zinc/33/36/59/244333659.db2.gz YEHGSDPSLHJUKK-DLBZAZTESA-N 1 3 347.478 2.593 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc2c(c(Br)c1)OCO2 ZINC000414807850 244361702 /nfs/dbraw/zinc/36/17/02/244361702.db2.gz RPLOCTYAGXLUCF-YPMHNXCESA-N 1 3 341.249 2.785 20 0 EFADHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000414810192 244362575 /nfs/dbraw/zinc/36/25/75/244362575.db2.gz UYFAHDAOZRQMOO-YLJYHZDGSA-N 1 3 333.495 2.940 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[C@H]2CN)c1 ZINC000414810604 244364166 /nfs/dbraw/zinc/36/41/66/244364166.db2.gz VJXODBHKIQTECO-DZKIICNBSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000414810604 244364169 /nfs/dbraw/zinc/36/41/69/244364169.db2.gz VJXODBHKIQTECO-DZKIICNBSA-N 1 3 349.475 2.528 20 0 EFADHO CCC(N)(CC)C[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000414813223 244364339 /nfs/dbraw/zinc/36/43/39/244364339.db2.gz STIIJUKRNYHOJR-ZDUSSCGKSA-N 1 3 337.464 2.528 20 0 EFADHO COc1cc(Br)ccc1CNCC[C@@H]1CCC[NH2+]C1 ZINC000414845856 244368637 /nfs/dbraw/zinc/36/86/37/244368637.db2.gz TWKDHBWVJHNJND-LBPRGKRZSA-N 1 3 327.266 2.937 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000414778118 244340645 /nfs/dbraw/zinc/34/06/45/244340645.db2.gz GDVKAIAKPDYCHP-CVEARBPZSA-N 1 3 326.387 2.616 20 0 EFADHO c1ccc(COc2ccccc2CNCCCN2CC[NH2+]CC2)cc1 ZINC000414784894 244348494 /nfs/dbraw/zinc/34/84/94/244348494.db2.gz UEWREKOZTIGFBY-UHFFFAOYSA-N 1 3 339.483 2.651 20 0 EFADHO [NH3+]C[C@@H]1CN(Cc2ccc(OC(F)(F)F)cc2)CC12CCOCC2 ZINC000414785143 244348692 /nfs/dbraw/zinc/34/86/92/244348692.db2.gz IVLGCIBARIMALE-CQSZACIVSA-N 1 3 344.377 2.773 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784038 244348988 /nfs/dbraw/zinc/34/89/88/244348988.db2.gz QSBQCFYVAOOHKH-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784038 244348995 /nfs/dbraw/zinc/34/89/95/244348995.db2.gz QSBQCFYVAOOHKH-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO NC[C@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC12CCOCC2 ZINC000414784038 244348999 /nfs/dbraw/zinc/34/89/99/244348999.db2.gz QSBQCFYVAOOHKH-FQEVSTJZSA-N 1 3 337.467 2.936 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)NC1CC[NH2+]CC1 ZINC000414782535 244349075 /nfs/dbraw/zinc/34/90/75/244349075.db2.gz PEGPNTCWICVJAO-NSHDSACASA-N 1 3 345.365 2.644 20 0 EFADHO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1CCNCC1 ZINC000414782535 244349079 /nfs/dbraw/zinc/34/90/79/244349079.db2.gz PEGPNTCWICVJAO-NSHDSACASA-N 1 3 345.365 2.644 20 0 EFADHO CCOc1c(OC)cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784457 244349228 /nfs/dbraw/zinc/34/92/28/244349228.db2.gz RHUWTVFSOFDLMP-IAGOWNOFSA-N 1 3 348.487 2.924 20 0 EFADHO Cc1nn(-c2ccccc2)cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414789808 244353676 /nfs/dbraw/zinc/35/36/76/244353676.db2.gz OQUUFOVIEXMNNR-UXHICEINSA-N 1 3 340.471 2.509 20 0 EFADHO [NH3+]C[C@H]1CN(Cc2ccc(F)c3cccnc23)CC12CCOCC2 ZINC000414788769 244354251 /nfs/dbraw/zinc/35/42/51/244354251.db2.gz XGTFIIHHPLYDPH-HNNXBMFYSA-N 1 3 329.419 2.561 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414793511 244355436 /nfs/dbraw/zinc/35/54/36/244355436.db2.gz UMSVZMQRJZLHNC-SFHVURJKSA-N 1 3 340.471 2.572 20 0 EFADHO C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)NCC[C@H]1CCC[NH2+]1 ZINC000414912013 244395736 /nfs/dbraw/zinc/39/57/36/244395736.db2.gz XMQVANMIWNKHGC-JKSUJKDBSA-N 1 3 343.471 2.573 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1 ZINC000414945973 244396987 /nfs/dbraw/zinc/39/69/87/244396987.db2.gz JACUEWVMQIFMRO-ZFWWWQNUSA-N 1 3 335.879 2.675 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000417089952 245015265 /nfs/dbraw/zinc/01/52/65/245015265.db2.gz SQNVLOQOPCWNRJ-MRXNPFEDSA-N 1 3 346.519 2.640 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000417061076 245001100 /nfs/dbraw/zinc/00/11/00/245001100.db2.gz BQPZRCVCITXRJB-KXBFYZLASA-N 1 3 344.503 2.593 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000417061076 245001106 /nfs/dbraw/zinc/00/11/06/245001106.db2.gz BQPZRCVCITXRJB-KXBFYZLASA-N 1 3 344.503 2.593 20 0 EFADHO CC1CCN([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000417215604 245049186 /nfs/dbraw/zinc/04/91/86/245049186.db2.gz NMBFZBLCLSNJQQ-RTBURBONSA-N 1 3 344.503 2.592 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000417225847 245053287 /nfs/dbraw/zinc/05/32/87/245053287.db2.gz YRGZLUHKYVMKOG-RWQQGDIJSA-N 1 3 344.503 2.591 20 0 EFADHO CN(CCNC(=O)N(CCC[NH3+])CC1CCCC1)Cc1ccccc1 ZINC000417233771 245056978 /nfs/dbraw/zinc/05/69/78/245056978.db2.gz SPNUXLBXLDRLHL-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417676751 245086379 /nfs/dbraw/zinc/08/63/79/245086379.db2.gz DUIXUTVONKUNTI-APWZRJJASA-N 1 3 344.503 2.735 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c2cccs2)CC1 ZINC000262639746 245087450 /nfs/dbraw/zinc/08/74/50/245087450.db2.gz JWFJLHWEEZFYHA-OWCLPIDISA-N 1 3 335.517 2.765 20 0 EFADHO C[C@@H]([NH3+])C1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000417705759 245089070 /nfs/dbraw/zinc/08/90/70/245089070.db2.gz NWLLXXRSWPEOGG-HZPDHXFCSA-N 1 3 346.519 2.885 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418310196 245118108 /nfs/dbraw/zinc/11/81/08/245118108.db2.gz JIJSKNQGBFTSAY-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000418118789 245110697 /nfs/dbraw/zinc/11/06/97/245110697.db2.gz UCTISKMYHZNWQR-NZSAHSFTSA-N 1 3 348.535 2.567 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000418423282 245151393 /nfs/dbraw/zinc/15/13/93/245151393.db2.gz FFOSAYRELOECQV-GOSISDBHSA-N 1 3 346.519 2.666 20 0 EFADHO Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418419826 245151981 /nfs/dbraw/zinc/15/19/81/245151981.db2.gz YDZVEVAGDVUOEG-RTBURBONSA-N 1 3 346.519 2.586 20 0 EFADHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330900 245122829 /nfs/dbraw/zinc/12/28/29/245122829.db2.gz PNWRJDJHBVLMSZ-VQIMIIECSA-N 1 3 346.519 2.793 20 0 EFADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)C1 ZINC000418330900 245122833 /nfs/dbraw/zinc/12/28/33/245122833.db2.gz PNWRJDJHBVLMSZ-VQIMIIECSA-N 1 3 346.519 2.793 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418340605 245127007 /nfs/dbraw/zinc/12/70/07/245127007.db2.gz GPGKEOIIMXFOTF-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000418341368 245127337 /nfs/dbraw/zinc/12/73/37/245127337.db2.gz DCVJXNIACVGZJK-BXWFABGCSA-N 1 3 346.519 2.874 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418402493 245146351 /nfs/dbraw/zinc/14/63/51/245146351.db2.gz HNGMKFHWZUOFMX-OALUTQOASA-N 1 3 346.519 2.797 20 0 EFADHO NC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000418418911 245149552 /nfs/dbraw/zinc/14/95/52/245149552.db2.gz WXTAYJQHAXTGAT-QRVBRYPASA-N 1 3 340.471 2.656 20 0 EFADHO NC[C@H](NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])c1ccc2ccccc2c1 ZINC000418418905 245149945 /nfs/dbraw/zinc/14/99/45/245149945.db2.gz WXTAYJQHAXTGAT-FHWLQOOXSA-N 1 3 340.471 2.656 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H](CN)c2ccc3ccccc3c2)C1 ZINC000418502829 245177516 /nfs/dbraw/zinc/17/75/16/245177516.db2.gz WKEHSHYECSORQN-JVPBZIDWSA-N 1 3 340.471 2.608 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000418501278 245177616 /nfs/dbraw/zinc/17/76/16/245177616.db2.gz QNULWBMIJCDUET-RDTXWAMCSA-N 1 3 328.460 2.656 20 0 EFADHO NC[C@H](NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc2ccccc2c1 ZINC000418502119 245177722 /nfs/dbraw/zinc/17/77/22/245177722.db2.gz UIZHWAVETQVLMX-ZMYBRWDISA-N 1 3 340.471 2.656 20 0 EFADHO NC[C@@H](NC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499711 245177896 /nfs/dbraw/zinc/17/78/96/245177896.db2.gz MNQMYXGXQAIUCC-HNAYVOBHSA-N 1 3 340.471 2.610 20 0 EFADHO C[C@@H]1CCN(C)CCN1C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418502423 245178111 /nfs/dbraw/zinc/17/81/11/245178111.db2.gz VMZWJCXZCMFOPK-DNVCBOLYSA-N 1 3 340.471 2.575 20 0 EFADHO CC(C)CN(CCN(C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418435209 245157722 /nfs/dbraw/zinc/15/77/22/245157722.db2.gz AJAKGFBNGDOWEW-UHFFFAOYSA-N 1 3 326.529 2.528 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000418446216 245160397 /nfs/dbraw/zinc/16/03/97/245160397.db2.gz ALDCOGPXXDUOQZ-MOPGFXCFSA-N 1 3 346.519 2.810 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000418446040 245160818 /nfs/dbraw/zinc/16/08/18/245160818.db2.gz NSHGGPGYTRUXFQ-MSOLQXFVSA-N 1 3 328.460 2.656 20 0 EFADHO CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000418562601 245194288 /nfs/dbraw/zinc/19/42/88/245194288.db2.gz GMOGAUNCOFCBIT-IPMKNSEASA-N 1 3 344.503 2.562 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418529407 245185348 /nfs/dbraw/zinc/18/53/48/245185348.db2.gz TZSKTXYWEXPHMO-UHFFFAOYSA-N 1 3 338.540 2.530 20 0 EFADHO CCCN(CCN1CCCCCC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418536064 245186200 /nfs/dbraw/zinc/18/62/00/245186200.db2.gz IDUAGMLAAVYYGF-IBGZPJMESA-N 1 3 338.540 2.674 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)C2)C1 ZINC000418653092 245226990 /nfs/dbraw/zinc/22/69/90/245226990.db2.gz ACVOQBOMPUKHHW-AZUAARDMSA-N 1 3 344.503 2.594 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000418652625 245227702 /nfs/dbraw/zinc/22/77/02/245227702.db2.gz MYTNJTJJGKSTNN-LJQANCHMSA-N 1 3 344.503 2.519 20 0 EFADHO CN1CCC[C@@]2(CCN(C(=O)N[C@H](CCC[NH3+])c3ccccc3)C2)C1 ZINC000418653102 245228542 /nfs/dbraw/zinc/22/85/42/245228542.db2.gz ACVOQBOMPUKHHW-UYAOXDASSA-N 1 3 344.503 2.594 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000418656243 245229774 /nfs/dbraw/zinc/22/97/74/245229774.db2.gz SDVQRGFQSYFICA-QGZVFWFLSA-N 1 3 334.508 2.668 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000418661083 245234418 /nfs/dbraw/zinc/23/44/18/245234418.db2.gz ZVVCSXNMLUAGCC-IPELMVKDSA-N 1 3 344.503 2.517 20 0 EFADHO C[C@H](CCC[NH3+])NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418700367 245250994 /nfs/dbraw/zinc/25/09/94/245250994.db2.gz JKNAQKMPOXXYRZ-LMMKCTJWSA-N 1 3 346.519 2.808 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418708192 245254534 /nfs/dbraw/zinc/25/45/34/245254534.db2.gz CDIXORZYQITYOE-RTBURBONSA-N 1 3 346.519 2.797 20 0 EFADHO [NH3+]CCC[C@H](NC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000418679187 245243103 /nfs/dbraw/zinc/24/31/03/245243103.db2.gz TULUAPJEXMABRB-IBGZPJMESA-N 1 3 344.503 2.736 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000418688269 245246641 /nfs/dbraw/zinc/24/66/41/245246641.db2.gz FCVGPPWYPGJSNT-QGZVFWFLSA-N 1 3 346.519 2.810 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750673 245275459 /nfs/dbraw/zinc/27/54/59/245275459.db2.gz OYDZCOIGSOCYTE-SFHVURJKSA-N 1 3 338.540 2.672 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000263291092 245384752 /nfs/dbraw/zinc/38/47/52/245384752.db2.gz WNCLATFHWLCQTO-GOSISDBHSA-N 1 3 344.503 2.531 20 0 EFADHO C[C@H]1[C@@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000419368659 245392447 /nfs/dbraw/zinc/39/24/47/245392447.db2.gz GGSDJWXIISLHTA-KZNAEPCWSA-N 1 3 343.515 2.875 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2ccccc21 ZINC000078489927 217062366 /nfs/dbraw/zinc/06/23/66/217062366.db2.gz OJDBWKMVPULWIX-UHFFFAOYSA-N 1 3 328.460 2.797 20 0 EFADHO CN1CCN(CC[NH2+]Cc2cc(Br)cs2)CC1(C)C ZINC000110757645 220064751 /nfs/dbraw/zinc/06/47/51/220064751.db2.gz ZZJVQYNPQKBYKV-UHFFFAOYSA-N 1 3 346.338 2.626 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000115813736 284354322 /nfs/dbraw/zinc/35/43/22/284354322.db2.gz HTRSFMPGBXIVFU-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCCN(C)C2)c1 ZINC000115813736 284354324 /nfs/dbraw/zinc/35/43/24/284354324.db2.gz HTRSFMPGBXIVFU-LJQANCHMSA-N 1 3 346.519 2.622 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2CC[NH+](C)CC2)N2CCCC2)cc1 ZINC000081305797 217380747 /nfs/dbraw/zinc/38/07/47/217380747.db2.gz LPGNHZWWFRYFJJ-IBGZPJMESA-N 1 3 329.488 2.590 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823060 246130518 /nfs/dbraw/zinc/13/05/18/246130518.db2.gz YPVQXUUJXJFRDE-YWZLYKJASA-N 1 3 349.494 2.901 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCCN1C)c1ccccc1 ZINC000422154731 246275149 /nfs/dbraw/zinc/27/51/49/246275149.db2.gz CVJUBLNBJCSEEY-AEFFLSMTSA-N 1 3 346.519 2.851 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000422756076 246445841 /nfs/dbraw/zinc/44/58/41/246445841.db2.gz LEQLVXCEWXCUHF-ZDUSSCGKSA-N 1 3 327.428 2.513 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000423090563 246569818 /nfs/dbraw/zinc/56/98/18/246569818.db2.gz VQDYEYPOMOQRHT-OBJOEFQTSA-N 1 3 326.282 2.743 20 0 EFADHO COc1cc(NCC[NH2+][C@H](C)c2ccc(CN)nc2C)cc(OC)c1 ZINC000423008279 246542506 /nfs/dbraw/zinc/54/25/06/246542506.db2.gz ZRCQSIRKTVANMI-CYBMUJFWSA-N 1 3 344.459 2.629 20 0 EFADHO Cc1csc(N2CCC([NH2+]Cc3ccc4c(c3)CNC4)CC2)n1 ZINC000423401227 246627142 /nfs/dbraw/zinc/62/71/42/246627142.db2.gz VXAZUQVAODDZAW-UHFFFAOYSA-N 1 3 328.485 2.813 20 0 EFADHO Cc1cc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)n(C2CCN(C)CC2)n1 ZINC000423426470 246634260 /nfs/dbraw/zinc/63/42/60/246634260.db2.gz PIBUZUBSOQZQSC-CQSZACIVSA-N 1 3 341.459 2.730 20 0 EFADHO C[C@H]1CCN(C(=O)c2oc3ccccc3c2CN(C)C)C[C@H]1C[NH3+] ZINC000424003423 246675975 /nfs/dbraw/zinc/67/59/75/246675975.db2.gz RDQOPFPYVCLZCU-UONOGXRCSA-N 1 3 329.444 2.551 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425324916 247042744 /nfs/dbraw/zinc/04/27/44/247042744.db2.gz NBPGIIYEQPXXDI-SLFFLAALSA-N 1 3 343.515 2.886 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)[C@@H]2C1 ZINC000425765432 247183446 /nfs/dbraw/zinc/18/34/46/247183446.db2.gz IMMZXCCCXYFLEY-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO CN1C[C@@H]2CCCN(C(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)[C@@H]2C1 ZINC000425765432 247183449 /nfs/dbraw/zinc/18/34/49/247183449.db2.gz IMMZXCCCXYFLEY-YTQUADARSA-N 1 3 348.535 2.519 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN(C)C ZINC000425952473 247216129 /nfs/dbraw/zinc/21/61/29/247216129.db2.gz PGCQZTWKXVVEOL-CHWSQXEVSA-N 1 3 341.883 2.853 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)NC[C@@H](C)C[NH+](C)C ZINC000425952473 247216137 /nfs/dbraw/zinc/21/61/37/247216137.db2.gz PGCQZTWKXVVEOL-CHWSQXEVSA-N 1 3 341.883 2.853 20 0 EFADHO Cc1ccc2cc([C@@H](C)[NH2+]CCCN3CCC[C@@H](C(N)=O)C3)oc2c1 ZINC000426051081 247230807 /nfs/dbraw/zinc/23/08/07/247230807.db2.gz NWTXIECZQBCTCB-NVXWUHKLSA-N 1 3 343.471 2.979 20 0 EFADHO CC[C@]1(CO)CCCN(CC(C)C[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426458730 247281470 /nfs/dbraw/zinc/28/14/70/247281470.db2.gz KFMZWJGPPYCYSS-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CC[C@]1(CO)CCCN(CC(C)C[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000426458730 247281472 /nfs/dbraw/zinc/28/14/72/247281472.db2.gz KFMZWJGPPYCYSS-PMACEKPBSA-N 1 3 340.552 2.592 20 0 EFADHO CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC000427272969 247333250 /nfs/dbraw/zinc/33/32/50/247333250.db2.gz GOUFPOGQXSCTQG-APWZRJJASA-N 1 3 343.515 2.575 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427302274 247334778 /nfs/dbraw/zinc/33/47/78/247334778.db2.gz OUDNGXFJDNCTHP-AOIWGVFYSA-N 1 3 329.488 2.718 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)N(C)C)cc1 ZINC000427312967 247335998 /nfs/dbraw/zinc/33/59/98/247335998.db2.gz KWQHQVSEQOVISA-HKUYNNGSSA-N 1 3 331.504 2.748 20 0 EFADHO O=C(C[C@H]1CC[NH2+]C1)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000427332406 247339501 /nfs/dbraw/zinc/33/95/01/247339501.db2.gz UEBXAZSPCVUYDQ-TZIWHRDSSA-N 1 3 341.499 2.501 20 0 EFADHO O=C(C[C@H]1CCC[NH2+]CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000427376771 247344977 /nfs/dbraw/zinc/34/49/77/247344977.db2.gz TYLSLXJZHOESQM-SFHVURJKSA-N 1 3 329.488 2.501 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434672010 248177041 /nfs/dbraw/zinc/17/70/41/248177041.db2.gz XCKJKLFNDAXRFT-KHYOSLBOSA-N 1 3 325.456 2.829 20 0 EFADHO C[C@H]([NH3+])CCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000434675303 248177362 /nfs/dbraw/zinc/17/73/62/248177362.db2.gz KYQHRPXABIPHLE-YJBOKZPZSA-N 1 3 331.504 2.703 20 0 EFADHO C[NH+]1CCC(O)(CNCc2ccc(Br)cc2Cl)CC1 ZINC000266136140 248122349 /nfs/dbraw/zinc/12/23/49/248122349.db2.gz FRPWTDPLCPNZLY-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO C[NH2+]C[C@H]1CCCN(Cc2ccccc2N(C)C2CCN(C)CC2)C1 ZINC000435376577 248232317 /nfs/dbraw/zinc/23/23/17/248232317.db2.gz RVBVQFFCHDHWSA-GOSISDBHSA-N 1 3 344.547 2.648 20 0 EFADHO CCN(Cc1cc(C)c(OCC(=O)OC)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435395722 248236158 /nfs/dbraw/zinc/23/61/58/248236158.db2.gz VATXKEYQDNVSLA-GOSISDBHSA-N 1 3 348.487 2.819 20 0 EFADHO CC(C)[N@H+](C)CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000266585653 248371727 /nfs/dbraw/zinc/37/17/27/248371727.db2.gz QGFURBCQAKXVOS-UHFFFAOYSA-N 1 3 331.460 2.955 20 0 EFADHO CC(C)[N@@H+](C)CCCNC(=O)c1oc2ccccc2c1CN(C)C ZINC000266585653 248371728 /nfs/dbraw/zinc/37/17/28/248371728.db2.gz QGFURBCQAKXVOS-UHFFFAOYSA-N 1 3 331.460 2.955 20 0 EFADHO CCCN(C)CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435565253 249374664 /nfs/dbraw/zinc/37/46/64/249374664.db2.gz FSRBOVLVNPDTAL-INIZCTEOSA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)COc1cccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c1 ZINC000441332607 250018888 /nfs/dbraw/zinc/01/88/88/250018888.db2.gz QTXGFCMVMYYHCI-UHFFFAOYSA-N 1 3 333.520 2.837 20 0 EFADHO Cn1cc(CN2CCC(CC[NH+](C)C)CC2)c(-c2cccnc2)n1 ZINC000092381067 218138365 /nfs/dbraw/zinc/13/83/65/218138365.db2.gz PWXTWBUUQPSYGW-UHFFFAOYSA-N 1 3 327.476 2.646 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C1 ZINC000442619916 250091741 /nfs/dbraw/zinc/09/17/41/250091741.db2.gz MMNIIAZMOHNZMQ-FUHWJXTLSA-N 1 3 347.478 2.625 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cccc(OC(F)F)c1 ZINC000442870981 250133652 /nfs/dbraw/zinc/13/36/52/250133652.db2.gz APBHZAUUVWQIII-CQSZACIVSA-N 1 3 341.446 2.965 20 0 EFADHO CC(C)[C@@H](COCc1ccccc1)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000442880755 250133886 /nfs/dbraw/zinc/13/38/86/250133886.db2.gz YDIVJTRTTKMMCX-HXUWFJFHSA-N 1 3 347.547 2.843 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443233148 250174642 /nfs/dbraw/zinc/17/46/42/250174642.db2.gz ZWVAGNGDLVRADN-FUHWJXTLSA-N 1 3 346.519 2.536 20 0 EFADHO [NH3+]CC[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000443059834 250155367 /nfs/dbraw/zinc/15/53/67/250155367.db2.gz NKCQIJBAXWEULU-GOSISDBHSA-N 1 3 343.515 2.675 20 0 EFADHO C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)N1CCC(Cc2ccccc2)CC1 ZINC000444270585 250279017 /nfs/dbraw/zinc/27/90/17/250279017.db2.gz RRQOYTIBZPUCEE-FXAWDEMLSA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)(CNC(=O)NCCN1CCCC(C)(C)C1)[NH+]1CCCCC1 ZINC000444887367 250362819 /nfs/dbraw/zinc/36/28/19/250362819.db2.gz HMXOOUFURIAIRM-UHFFFAOYSA-N 1 3 338.540 2.672 20 0 EFADHO CCC[NH+]1CCC(NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 ZINC000095420845 218362133 /nfs/dbraw/zinc/36/21/33/218362133.db2.gz IYDMQPMIYXIYKN-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CCCN1CCC([NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 ZINC000095420845 218362135 /nfs/dbraw/zinc/36/21/35/218362135.db2.gz IYDMQPMIYXIYKN-SFHVURJKSA-N 1 3 345.531 2.871 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](CC(C)C)CN2CCCC2)C1 ZINC000455187239 284828999 /nfs/dbraw/zinc/82/89/99/284828999.db2.gz IHPMAQNVRFAMEV-ROUUACIJSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1N1CCN(CC)CC1)OC ZINC000449399661 251014682 /nfs/dbraw/zinc/01/46/82/251014682.db2.gz CKPQTWWJMADZPZ-XLIONFOSSA-N 1 3 333.520 2.979 20 0 EFADHO CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC(C)(C)CO ZINC000449429356 251023873 /nfs/dbraw/zinc/02/38/73/251023873.db2.gz UREXQBQQPMTPHK-UHFFFAOYSA-N 1 3 333.520 2.667 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000267406264 251029029 /nfs/dbraw/zinc/02/90/29/251029029.db2.gz ZLNXRLDNUHGFRS-YQVWRLOYSA-N 1 3 346.519 2.536 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488975 251042889 /nfs/dbraw/zinc/04/28/89/251042889.db2.gz MVIZMMLUKRXMGQ-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO CCC1(C[NH2+]Cc2ccccc2N(C)C2CCN(C)CC2)COC1 ZINC000449604266 251080155 /nfs/dbraw/zinc/08/01/55/251080155.db2.gz WZIZIWTUIKXRHF-UHFFFAOYSA-N 1 3 331.504 2.733 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000267477339 251093849 /nfs/dbraw/zinc/09/38/49/251093849.db2.gz AUUKFBNLZMXGJR-ZHALLVOQSA-N 1 3 346.519 2.679 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449689152 251118876 /nfs/dbraw/zinc/11/88/76/251118876.db2.gz YKLZRFUZKSHILR-NRFANRHFSA-N 1 3 343.515 2.831 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449689152 251118879 /nfs/dbraw/zinc/11/88/79/251118879.db2.gz YKLZRFUZKSHILR-NRFANRHFSA-N 1 3 343.515 2.831 20 0 EFADHO Cc1noc(CCCN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000268650982 252104023 /nfs/dbraw/zinc/10/40/23/252104023.db2.gz JSENGKUJKDHNFS-SFHVURJKSA-N 1 3 328.460 2.765 20 0 EFADHO Cc1noc(CCCN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000268650982 252104027 /nfs/dbraw/zinc/10/40/27/252104027.db2.gz JSENGKUJKDHNFS-SFHVURJKSA-N 1 3 328.460 2.765 20 0 EFADHO Cc1noc(CCCN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000268650978 252104370 /nfs/dbraw/zinc/10/43/70/252104370.db2.gz JSENGKUJKDHNFS-GOSISDBHSA-N 1 3 328.460 2.765 20 0 EFADHO Cc1noc(CCCN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000268650978 252104375 /nfs/dbraw/zinc/10/43/75/252104375.db2.gz JSENGKUJKDHNFS-GOSISDBHSA-N 1 3 328.460 2.765 20 0 EFADHO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268787849 252238865 /nfs/dbraw/zinc/23/88/65/252238865.db2.gz DMXXGZZFLHEYHX-HZPDHXFCSA-N 1 3 335.492 2.582 20 0 EFADHO CC[C@@H](C)NC(=O)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268787849 252238867 /nfs/dbraw/zinc/23/88/67/252238867.db2.gz DMXXGZZFLHEYHX-HZPDHXFCSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801556 252255801 /nfs/dbraw/zinc/25/58/01/252255801.db2.gz HUCZXXDXWOOJTF-DLBZAZTESA-N 1 3 329.488 2.658 20 0 EFADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(N2CCOCC2)c1 ZINC000268801556 252255803 /nfs/dbraw/zinc/25/58/03/252255803.db2.gz HUCZXXDXWOOJTF-DLBZAZTESA-N 1 3 329.488 2.658 20 0 EFADHO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000268802896 252255853 /nfs/dbraw/zinc/25/58/53/252255853.db2.gz IGGXCRALKFTDKW-KRWDZBQOSA-N 1 3 349.519 2.926 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268799376 252252308 /nfs/dbraw/zinc/25/23/08/252252308.db2.gz APYXEYSQIQDXOX-HIFRSBDPSA-N 1 3 346.393 2.735 20 0 EFADHO C[C@@H](CC(C)(C)C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000454451879 252267861 /nfs/dbraw/zinc/26/78/61/252267861.db2.gz JHBLMYOQEBUJGW-HNNXBMFYSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268818352 252269024 /nfs/dbraw/zinc/26/90/24/252269024.db2.gz QVHHREGPVIBAAG-JENIJYKNSA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H](C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268818352 252269026 /nfs/dbraw/zinc/26/90/26/252269026.db2.gz QVHHREGPVIBAAG-JENIJYKNSA-N 1 3 331.504 2.934 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818500 252269264 /nfs/dbraw/zinc/26/92/64/252269264.db2.gz GWIWJZGHOHHUGT-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818500 252269266 /nfs/dbraw/zinc/26/92/66/252269266.db2.gz GWIWJZGHOHHUGT-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO CCCN1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)C1 ZINC000268818500 252269269 /nfs/dbraw/zinc/26/92/69/252269269.db2.gz GWIWJZGHOHHUGT-MSOLQXFVSA-N 1 3 331.504 2.906 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(-n2cccn2)cc1 ZINC000268850196 252298700 /nfs/dbraw/zinc/29/87/00/252298700.db2.gz FUVQOQHJSAYBDQ-SFHVURJKSA-N 1 3 341.503 2.551 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+][C@H]3C[C@@H](C)N(C)C[C@H]3C)c2)CCO1 ZINC000153477344 224111060 /nfs/dbraw/zinc/11/10/60/224111060.db2.gz JQYHUSKRVVVENN-IKVWTGGYSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477344 224111061 /nfs/dbraw/zinc/11/10/61/224111061.db2.gz JQYHUSKRVVVENN-IKVWTGGYSA-N 1 3 345.531 2.726 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CN[C@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)CCO1 ZINC000153477344 224111063 /nfs/dbraw/zinc/11/10/63/224111063.db2.gz JQYHUSKRVVVENN-IKVWTGGYSA-N 1 3 345.531 2.726 20 0 EFADHO COCC1=CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000187614231 533160516 /nfs/dbraw/zinc/16/05/16/533160516.db2.gz XLZLETHJODSXSJ-UHFFFAOYSA-N 1 3 343.515 2.996 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000349081076 285250874 /nfs/dbraw/zinc/25/08/74/285250874.db2.gz VKFXNDWGQIUQQV-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000349081076 285250877 /nfs/dbraw/zinc/25/08/77/285250877.db2.gz VKFXNDWGQIUQQV-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C2CC2)n1 ZINC000349062452 285251316 /nfs/dbraw/zinc/25/13/16/285251316.db2.gz LYIPTXDBXJAPMV-QGZVFWFLSA-N 1 3 336.549 2.868 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1csc(C2CC2)n1 ZINC000349062452 285251321 /nfs/dbraw/zinc/25/13/21/285251321.db2.gz LYIPTXDBXJAPMV-QGZVFWFLSA-N 1 3 336.549 2.868 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000115811902 220906477 /nfs/dbraw/zinc/90/64/77/220906477.db2.gz HDQQCGVWMAMWDC-MJGOQNOKSA-N 1 3 346.519 2.581 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000115811902 220906481 /nfs/dbraw/zinc/90/64/81/220906481.db2.gz HDQQCGVWMAMWDC-MJGOQNOKSA-N 1 3 346.519 2.581 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352636193 285278682 /nfs/dbraw/zinc/27/86/82/285278682.db2.gz DYTCECVTSKRVAW-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000352636193 285278684 /nfs/dbraw/zinc/27/86/84/285278684.db2.gz DYTCECVTSKRVAW-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)CC1=Cc2ccccc2OC1 ZINC000349063537 285281739 /nfs/dbraw/zinc/28/17/39/285281739.db2.gz QBBZHZRVXYQNHO-FQEVSTJZSA-N 1 3 343.515 2.810 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)CC1=Cc2ccccc2OC1 ZINC000349063537 285281741 /nfs/dbraw/zinc/28/17/41/285281741.db2.gz QBBZHZRVXYQNHO-FQEVSTJZSA-N 1 3 343.515 2.810 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)c(F)c(C)c1 ZINC000343341737 285280070 /nfs/dbraw/zinc/28/00/70/285280070.db2.gz PCZUXWSFJOVFFL-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(C)c(F)c(C)c1 ZINC000343341737 285280073 /nfs/dbraw/zinc/28/00/73/285280073.db2.gz PCZUXWSFJOVFFL-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](C(=O)N1CCC(C[NH3+])CC1)N1CCC(Cc2ccccc2)CC1 ZINC000269120945 255532051 /nfs/dbraw/zinc/53/20/51/255532051.db2.gz CMQTZUXLEUGACF-KRWDZBQOSA-N 1 3 343.515 2.527 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000349081077 285282791 /nfs/dbraw/zinc/28/27/91/285282791.db2.gz VKFXNDWGQIUQQV-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(OC)c1 ZINC000349081077 285282792 /nfs/dbraw/zinc/28/27/92/285282792.db2.gz VKFXNDWGQIUQQV-SFHVURJKSA-N 1 3 349.519 2.552 20 0 EFADHO C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C)[NH+](C)C ZINC000454929370 255590133 /nfs/dbraw/zinc/59/01/33/255590133.db2.gz SSPYUGQVOQYDAL-WMZOPIPTSA-N 1 3 346.519 2.536 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)NC(C)(C)CCC[NH+](C)C)cc1 ZINC000457530357 255700349 /nfs/dbraw/zinc/70/03/49/255700349.db2.gz MWFHHVFPIHUYJA-UHFFFAOYSA-N 1 3 334.508 2.668 20 0 EFADHO CC(C)C[C@H](CNC(=O)N(C)CCN(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000468015889 256013481 /nfs/dbraw/zinc/01/34/81/256013481.db2.gz HBXHEGURWLTVMW-IEBWSBKVSA-N 1 3 348.535 2.955 20 0 EFADHO C[C@@H](CNC(=O)c1oc2ccccc2c1CN(C)C)C[NH+]1CCCC1 ZINC000118776316 221179966 /nfs/dbraw/zinc/17/99/66/221179966.db2.gz POONOYJHVSAPOI-HNNXBMFYSA-N 1 3 343.471 2.956 20 0 EFADHO CC[N@H+](CCNC(=O)c1oc2ccccc2c1CN(C)C)C1CC1 ZINC000118784349 221181151 /nfs/dbraw/zinc/18/11/51/221181151.db2.gz BYWHBWVZUQVBQL-UHFFFAOYSA-N 1 3 329.444 2.709 20 0 EFADHO CC[N@@H+](CCNC(=O)c1oc2ccccc2c1CN(C)C)C1CC1 ZINC000118784349 221181154 /nfs/dbraw/zinc/18/11/54/221181154.db2.gz BYWHBWVZUQVBQL-UHFFFAOYSA-N 1 3 329.444 2.709 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000155601344 285335731 /nfs/dbraw/zinc/33/57/31/285335731.db2.gz OLIGRAWYLHMXID-MJGOQNOKSA-N 1 3 331.504 2.824 20 0 EFADHO CCN(Cc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1)C1CC1 ZINC000299740195 258009771 /nfs/dbraw/zinc/00/97/71/258009771.db2.gz WUMFHOBIZZXBQD-BEFAXECRSA-N 1 3 329.488 2.870 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000361692290 285388152 /nfs/dbraw/zinc/38/81/52/285388152.db2.gz JVBMQZVMWSXLIS-NZSAHSFTSA-N 1 3 346.519 2.804 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000361692290 285388153 /nfs/dbraw/zinc/38/81/53/285388153.db2.gz JVBMQZVMWSXLIS-NZSAHSFTSA-N 1 3 346.519 2.804 20 0 EFADHO C[C@@H](C(=O)NCCN(C)Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000165931664 533258040 /nfs/dbraw/zinc/25/80/40/533258040.db2.gz JJTMIJBNIQNSEA-VQIMIIECSA-N 1 3 325.456 2.571 20 0 EFADHO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000183949980 533358407 /nfs/dbraw/zinc/35/84/07/533358407.db2.gz VTDNLBPEOOGEBB-OAHLLOKOSA-N 1 3 338.517 2.863 20 0 EFADHO C[C@@H](NCc1cccc(CO)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177838573 533455605 /nfs/dbraw/zinc/45/56/05/533455605.db2.gz QPUJEDWUOIYYRG-MRXNPFEDSA-N 1 3 328.456 2.970 20 0 EFADHO CSCC[C@H](N)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000168666107 533646092 /nfs/dbraw/zinc/64/60/92/533646092.db2.gz UXUCNNQHTZFVGP-RDJZCZTQSA-N 1 3 349.544 2.847 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000343458898 142002344 /nfs/dbraw/zinc/00/23/44/142002344.db2.gz GXMMFYSYYDBSNR-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](N[C@@H](CO)Cc2ccc(C)cc2)[C@@H](C)C1 ZINC000343458898 142002345 /nfs/dbraw/zinc/00/23/45/142002345.db2.gz GXMMFYSYYDBSNR-TYPHKJRUSA-N 1 3 348.531 2.625 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)CN1C1CC1 ZINC000343515430 142010349 /nfs/dbraw/zinc/01/03/49/142010349.db2.gz LAKJCIPLLGSPHV-MAUKXSAKSA-N 1 3 341.499 2.584 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000344568237 142041537 /nfs/dbraw/zinc/04/15/37/142041537.db2.gz DKRNPFYCURKCGY-QZTJIDSGSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000344739851 142071054 /nfs/dbraw/zinc/07/10/54/142071054.db2.gz KKARUSVRHHZAFL-INIZCTEOSA-N 1 3 329.488 2.695 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[N@H+](C2CCC2)C1 ZINC000344739851 142071056 /nfs/dbraw/zinc/07/10/56/142071056.db2.gz KKARUSVRHHZAFL-INIZCTEOSA-N 1 3 329.488 2.695 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000344775032 142076105 /nfs/dbraw/zinc/07/61/05/142076105.db2.gz KPQPJZSQADQVJI-PKOBYXMFSA-N 1 3 346.519 2.805 20 0 EFADHO O=C([C@@H]1CCCCN1C1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000431794047 304319776 /nfs/dbraw/zinc/31/97/76/304319776.db2.gz FJORBMFXKGLPOR-MJGOQNOKSA-N 1 3 333.520 2.728 20 0 EFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171841 142160789 /nfs/dbraw/zinc/16/07/89/142160789.db2.gz BJUNREMUSSWILH-TXPKVOOTSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000346171841 142160791 /nfs/dbraw/zinc/16/07/91/142160791.db2.gz BJUNREMUSSWILH-TXPKVOOTSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233005 142172567 /nfs/dbraw/zinc/17/25/67/142172567.db2.gz VNSYHYMQQZFPQL-TXPKVOOTSA-N 1 3 329.488 2.551 20 0 EFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccccc2CN(C)C)C[C@@H](C)C1 ZINC000346233005 142172568 /nfs/dbraw/zinc/17/25/68/142172568.db2.gz VNSYHYMQQZFPQL-TXPKVOOTSA-N 1 3 329.488 2.551 20 0 EFADHO CCCN(CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000346300374 142186177 /nfs/dbraw/zinc/18/61/77/142186177.db2.gz PZBLUMRLYKKMST-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000346324774 142189906 /nfs/dbraw/zinc/18/99/06/142189906.db2.gz JKGJKKVNHLBRMQ-KRWDZBQOSA-N 1 3 347.503 2.602 20 0 EFADHO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccccc1N1CCN(CC)CC1 ZINC000346324774 142189908 /nfs/dbraw/zinc/18/99/08/142189908.db2.gz JKGJKKVNHLBRMQ-KRWDZBQOSA-N 1 3 347.503 2.602 20 0 EFADHO CC[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)N1CCc2ccccc2C1 ZINC000347664511 142253485 /nfs/dbraw/zinc/25/34/85/142253485.db2.gz HMJGBUFSFCLUKY-NRFANRHFSA-N 1 3 349.478 2.857 20 0 EFADHO CN(CCC[NH+]1CCN(C)CC1)Cc1nc2ccc(F)cc2s1 ZINC000349334772 142322078 /nfs/dbraw/zinc/32/20/78/142322078.db2.gz TVLFGNLHWUHLKW-UHFFFAOYSA-N 1 3 336.480 2.505 20 0 EFADHO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H](c1ccccc1)N(C)C ZINC000349574458 142338282 /nfs/dbraw/zinc/33/82/82/142338282.db2.gz JNOFFQQVOVPZIG-AEFFLSMTSA-N 1 3 346.519 2.851 20 0 EFADHO CCN1CCN(c2ccccc2CN2CC[NH+](CC(C)C)CC2)CC1 ZINC000349612340 142340217 /nfs/dbraw/zinc/34/02/17/142340217.db2.gz CUJRMYZQOWFASV-UHFFFAOYSA-N 1 3 344.547 2.602 20 0 EFADHO CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000349754709 142355300 /nfs/dbraw/zinc/35/53/00/142355300.db2.gz YYTTZHMIVTZAKJ-GOSISDBHSA-N 1 3 340.556 2.870 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@@H]2NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349827589 142364454 /nfs/dbraw/zinc/36/44/54/142364454.db2.gz JOTTWVCLSVBUOX-MJGOQNOKSA-N 1 3 343.515 2.858 20 0 EFADHO Cc1ccc(C)c2c1CCC[C@@H]2NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000349827589 142364456 /nfs/dbraw/zinc/36/44/56/142364456.db2.gz JOTTWVCLSVBUOX-MJGOQNOKSA-N 1 3 343.515 2.858 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000349843674 142366146 /nfs/dbraw/zinc/36/61/46/142366146.db2.gz XPVPOIRWEZOXHF-JYJNAYRXSA-N 1 3 325.522 2.973 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)c2nccs2)[C@@H](C)C1 ZINC000349843674 142366147 /nfs/dbraw/zinc/36/61/47/142366147.db2.gz XPVPOIRWEZOXHF-JYJNAYRXSA-N 1 3 325.522 2.973 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@H](C)c2nccs2)[C@H](C)C1 ZINC000349843677 142366397 /nfs/dbraw/zinc/36/63/97/142366397.db2.gz XPVPOIRWEZOXHF-XHSDSOJGSA-N 1 3 325.522 2.973 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@H](C)c2nccs2)[C@H](C)C1 ZINC000349843677 142366399 /nfs/dbraw/zinc/36/63/99/142366399.db2.gz XPVPOIRWEZOXHF-XHSDSOJGSA-N 1 3 325.522 2.973 20 0 EFADHO CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000349933394 142380301 /nfs/dbraw/zinc/38/03/01/142380301.db2.gz DUWLDNCRKWOCTB-LJQANCHMSA-N 1 3 331.504 2.934 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000349953219 142382721 /nfs/dbraw/zinc/38/27/21/142382721.db2.gz UIFGSFNFFOLRSW-HOTGVXAUSA-N 1 3 338.540 2.669 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)N(C)C2CC2)C1 ZINC000349953219 142382722 /nfs/dbraw/zinc/38/27/22/142382722.db2.gz UIFGSFNFFOLRSW-HOTGVXAUSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000349979083 142385739 /nfs/dbraw/zinc/38/57/39/142385739.db2.gz VRSJQZPWKRKOGC-ICSRJNTNSA-N 1 3 337.552 2.541 20 0 EFADHO C[C@@H](CC1CCOCC1)CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000349979083 142385741 /nfs/dbraw/zinc/38/57/41/142385741.db2.gz VRSJQZPWKRKOGC-ICSRJNTNSA-N 1 3 337.552 2.541 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000349993470 142388117 /nfs/dbraw/zinc/38/81/17/142388117.db2.gz QUQUXMCSJHXFIJ-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000349993470 142388118 /nfs/dbraw/zinc/38/81/18/142388118.db2.gz QUQUXMCSJHXFIJ-SFHVURJKSA-N 1 3 349.494 2.886 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000341186945 145008634 /nfs/dbraw/zinc/00/86/34/145008634.db2.gz KSPLYOFUNCUANO-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C[NH+](C)C)CC2)c1C ZINC000341194900 145010255 /nfs/dbraw/zinc/01/02/55/145010255.db2.gz RYPSKIVWARIOMG-IBGZPJMESA-N 1 3 334.504 2.625 20 0 EFADHO COc1cccc(C[C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000341194296 145010272 /nfs/dbraw/zinc/01/02/72/145010272.db2.gz SLDHFTCMMYKWGS-YESZJQIVSA-N 1 3 335.492 2.500 20 0 EFADHO COc1cccc(C[C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000341194295 145010310 /nfs/dbraw/zinc/01/03/10/145010310.db2.gz SLDHFTCMMYKWGS-ULQDDVLXSA-N 1 3 335.492 2.500 20 0 EFADHO CCC[NH+]1CCC(NC(=O)Nc2cccc(OCCN(C)C)c2)CC1 ZINC000341208241 145013124 /nfs/dbraw/zinc/01/31/24/145013124.db2.gz CZFHRVMSUXEJAM-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CCN1C[C@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000341278098 145024820 /nfs/dbraw/zinc/02/48/20/145024820.db2.gz UIMHDEMSVQOYAF-JXFKEZNVSA-N 1 3 331.504 2.589 20 0 EFADHO C[C@H]1C[NH+](CCOc2ccc(CCNCc3ncc[nH]3)cc2)C[C@@H]1C ZINC000341279934 145025567 /nfs/dbraw/zinc/02/55/67/145025567.db2.gz UBNIQVLEKGPYSI-IRXDYDNUSA-N 1 3 342.487 2.709 20 0 EFADHO C[C@H](CNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)C[NH+](C)C ZINC000341289683 145026799 /nfs/dbraw/zinc/02/67/99/145026799.db2.gz MIYOFEDBEGUXGW-MSOLQXFVSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@H](CNC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)C[NH+](C)C ZINC000341289686 145027173 /nfs/dbraw/zinc/02/71/73/145027173.db2.gz MIYOFEDBEGUXGW-QZTJIDSGSA-N 1 3 345.531 2.644 20 0 EFADHO C[C@@H]1C[NH+](CCOc2ccc(CCNCc3cc[nH]n3)cc2)C[C@H]1C ZINC000341326092 145033662 /nfs/dbraw/zinc/03/36/62/145033662.db2.gz VWWCFABFFUVFFM-IAGOWNOFSA-N 1 3 342.487 2.709 20 0 EFADHO CC(C)N1CCC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000341363247 145039779 /nfs/dbraw/zinc/03/97/79/145039779.db2.gz OSKNUTVEQIEKGX-SFHVURJKSA-N 1 3 330.520 2.756 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000342060236 145057773 /nfs/dbraw/zinc/05/77/73/145057773.db2.gz SDDFUMTUSXRZPW-KDURUIRLSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000342060236 145057775 /nfs/dbraw/zinc/05/77/75/145057775.db2.gz SDDFUMTUSXRZPW-KDURUIRLSA-N 1 3 343.515 2.902 20 0 EFADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342095661 145061734 /nfs/dbraw/zinc/06/17/34/145061734.db2.gz YIINITJHULJIDK-KKUMJFAQSA-N 1 3 333.501 2.796 20 0 EFADHO CSc1ccccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342095662 145061853 /nfs/dbraw/zinc/06/18/53/145061853.db2.gz YIINITJHULJIDK-RRFJBIMHSA-N 1 3 333.501 2.796 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCCc3nc(-c4ccccc4)no3)C[C@H]21 ZINC000342112411 145064358 /nfs/dbraw/zinc/06/43/58/145064358.db2.gz VXRSFPOSSSKPGN-BRWVUGGUSA-N 1 3 326.444 2.728 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H](CO)C2)CC1 ZINC000342237215 145085699 /nfs/dbraw/zinc/08/56/99/145085699.db2.gz CFMGHUGNZGAIMN-OALUTQOASA-N 1 3 345.531 2.717 20 0 EFADHO O[C@@H]1C[NH2+]C[C@@H]1CN[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000263207217 296571094 /nfs/dbraw/zinc/57/10/94/296571094.db2.gz JVHYRCDVNBTLHO-SYAUCNOPSA-N 1 3 328.378 2.511 20 0 EFADHO C[C@@H](CCc1ccccc1)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000342613280 145159401 /nfs/dbraw/zinc/15/94/01/145159401.db2.gz HLYLDSNGAMGGKT-SFHVURJKSA-N 1 3 345.531 2.645 20 0 EFADHO C[C@@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)CCN1C1CC[NH+](C)CC1 ZINC000342675312 145170922 /nfs/dbraw/zinc/17/09/22/145170922.db2.gz PXCDXBOCDGLTKN-QUCCMNQESA-N 1 3 349.563 2.969 20 0 EFADHO O=C(NC1CCN(C2CC2)CC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000342686659 145172377 /nfs/dbraw/zinc/17/23/77/145172377.db2.gz AQNJUHZQIXBKPV-UHFFFAOYSA-N 1 3 341.499 2.585 20 0 EFADHO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000342692602 145173614 /nfs/dbraw/zinc/17/36/14/145173614.db2.gz ZYXPSWPKLAVVLW-GOSISDBHSA-N 1 3 329.488 2.790 20 0 EFADHO CN(C[C@H]1CCCN(C)C1)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342699857 145174725 /nfs/dbraw/zinc/17/47/25/145174725.db2.gz WCDWACBBECCHAK-SFHVURJKSA-N 1 3 343.515 2.643 20 0 EFADHO CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)[C@H]1CCN(C2CC2)C1 ZINC000342754240 145185152 /nfs/dbraw/zinc/18/51/52/145185152.db2.gz QLRRXTHCHOCAAO-IBGZPJMESA-N 1 3 341.499 2.537 20 0 EFADHO CC1CCN(CCNC(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000342762994 145187210 /nfs/dbraw/zinc/18/72/10/145187210.db2.gz ZWRMXQKKTJDDIX-UHFFFAOYSA-N 1 3 343.515 2.690 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCN1Cc1ccccc1 ZINC000342765256 145187874 /nfs/dbraw/zinc/18/78/74/145187874.db2.gz NBZSAJWJLFDAEY-CAMMJAKZSA-N 1 3 329.488 2.544 20 0 EFADHO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930304 145223539 /nfs/dbraw/zinc/22/35/39/145223539.db2.gz SVCDGAQGYUGUBL-UZLBHIALSA-N 1 3 331.504 2.643 20 0 EFADHO CC[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(CN3CCC(CO)CC3)c2)C1 ZINC000342930304 145223541 /nfs/dbraw/zinc/22/35/41/145223541.db2.gz SVCDGAQGYUGUBL-UZLBHIALSA-N 1 3 331.504 2.643 20 0 EFADHO C[C@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCCN1C ZINC000343586880 145245189 /nfs/dbraw/zinc/24/51/89/145245189.db2.gz CENDLTAJGFXVLM-QFBILLFUSA-N 1 3 344.503 2.564 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000343592993 145247205 /nfs/dbraw/zinc/24/72/05/145247205.db2.gz ALDXFQHBQGFJBL-WOJBJXKFSA-N 1 3 342.531 2.545 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000343592993 145247208 /nfs/dbraw/zinc/24/72/08/145247208.db2.gz ALDXFQHBQGFJBL-WOJBJXKFSA-N 1 3 342.531 2.545 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000343592990 145247272 /nfs/dbraw/zinc/24/72/72/145247272.db2.gz ALDXFQHBQGFJBL-UXHICEINSA-N 1 3 342.531 2.545 20 0 EFADHO CCN1CCN(c2ccccc2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000343592990 145247274 /nfs/dbraw/zinc/24/72/74/145247274.db2.gz ALDXFQHBQGFJBL-UXHICEINSA-N 1 3 342.531 2.545 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343598912 145248690 /nfs/dbraw/zinc/24/86/90/145248690.db2.gz INELPQRFFIVGDI-VQIMIIECSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000343598912 145248692 /nfs/dbraw/zinc/24/86/92/145248692.db2.gz INELPQRFFIVGDI-VQIMIIECSA-N 1 3 346.519 2.809 20 0 EFADHO C[C@@H]1[C@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCN1C ZINC000343663210 145265912 /nfs/dbraw/zinc/26/59/12/145265912.db2.gz XGKWQMGZRCCPKO-VQIMIIECSA-N 1 3 344.503 2.564 20 0 EFADHO C[C@H]1CN(Cc2ccc3c(c2)CCC3)CCN1C1CC[NH+](C)CC1 ZINC000343716719 145278242 /nfs/dbraw/zinc/27/82/42/145278242.db2.gz JHWTTZCGXVDUJZ-KRWDZBQOSA-N 1 3 327.516 2.776 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343749342 145286190 /nfs/dbraw/zinc/28/61/90/145286190.db2.gz LVGMQBFWENOZHL-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO COc1ccc(C)cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343749342 145286191 /nfs/dbraw/zinc/28/61/91/145286191.db2.gz LVGMQBFWENOZHL-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO COc1ccc(C)cc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000343749342 145286193 /nfs/dbraw/zinc/28/61/93/145286193.db2.gz LVGMQBFWENOZHL-KRWDZBQOSA-N 1 3 331.504 2.604 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343763445 145289118 /nfs/dbraw/zinc/28/91/18/145289118.db2.gz LKXRKIBOPOKUTF-QWFCFKBJSA-N 1 3 337.552 2.682 20 0 EFADHO C[C@@H]1CCCC[C@H]1OCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000343763445 145289119 /nfs/dbraw/zinc/28/91/19/145289119.db2.gz LKXRKIBOPOKUTF-QWFCFKBJSA-N 1 3 337.552 2.682 20 0 EFADHO Cc1nc2ccccn2c1C[NH2+]CCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000343790311 145295630 /nfs/dbraw/zinc/29/56/30/145295630.db2.gz SGRAKUZQNBUHGZ-HOTGVXAUSA-N 1 3 330.476 2.622 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000343826599 145302765 /nfs/dbraw/zinc/30/27/65/145302765.db2.gz DQSXRKBXTBPDAJ-MTNOOBJLSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000343826599 145302769 /nfs/dbraw/zinc/30/27/69/145302769.db2.gz DQSXRKBXTBPDAJ-MTNOOBJLSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000343878661 145314926 /nfs/dbraw/zinc/31/49/26/145314926.db2.gz PXSWMTRTCXSJRV-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CO[C@H](c1ccccc1)[C@H](C)NCc1ccncc1OCC[NH+](C)C ZINC000343962671 145334627 /nfs/dbraw/zinc/33/46/27/145334627.db2.gz AYWXRBZZHIEPGI-JXFKEZNVSA-N 1 3 343.471 2.888 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348815288 146007289 /nfs/dbraw/zinc/00/72/89/146007289.db2.gz FJGOKNTVJJTUKM-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN(C)C)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000348820324 146008250 /nfs/dbraw/zinc/00/82/50/146008250.db2.gz RQTDIXZTENPWAI-MRXNPFEDSA-N 1 3 332.492 2.787 20 0 EFADHO CCOC(=O)COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000348864449 146015453 /nfs/dbraw/zinc/01/54/53/146015453.db2.gz BBZVJBRMQKNEGZ-JWTNVVGKSA-N 1 3 346.471 2.686 20 0 EFADHO CCOC(=O)COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000348864449 146015455 /nfs/dbraw/zinc/01/54/55/146015455.db2.gz BBZVJBRMQKNEGZ-JWTNVVGKSA-N 1 3 346.471 2.686 20 0 EFADHO CCCOc1cccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000349037269 146040314 /nfs/dbraw/zinc/04/03/14/146040314.db2.gz SAEFTBYEFNVJEP-UHFFFAOYSA-N 1 3 345.531 2.935 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)cc(OC)c1 ZINC000349037487 146040428 /nfs/dbraw/zinc/04/04/28/146040428.db2.gz SPKDMMXYDDQCAL-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(OC)cc(OC)c1 ZINC000349037487 146040429 /nfs/dbraw/zinc/04/04/29/146040429.db2.gz SPKDMMXYDDQCAL-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1OC ZINC000349039445 146041231 /nfs/dbraw/zinc/04/12/31/146041231.db2.gz XPDXIPREOXJRQL-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc(OC)c1OC ZINC000349039445 146041232 /nfs/dbraw/zinc/04/12/32/146041232.db2.gz XPDXIPREOXJRQL-GOSISDBHSA-N 1 3 349.519 2.552 20 0 EFADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc2ccc(F)cc2[nH]1 ZINC000349042867 146042040 /nfs/dbraw/zinc/04/20/40/146042040.db2.gz WUGSPCBTYROYRR-UHFFFAOYSA-N 1 3 332.467 2.765 20 0 EFADHO CN(C/C=C\c1ccc(F)c(F)c1)CCN(C)C1CC[NH+](C)CC1 ZINC000349065095 146046319 /nfs/dbraw/zinc/04/63/19/146046319.db2.gz XJAOGNUDYFEBAA-PLNGDYQASA-N 1 3 337.458 2.936 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)ccc1F ZINC000349072514 146047365 /nfs/dbraw/zinc/04/73/65/146047365.db2.gz IXAOYZTVVSPCDD-QGZVFWFLSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cc(F)ccc1F ZINC000349072514 146047366 /nfs/dbraw/zinc/04/73/66/146047366.db2.gz IXAOYZTVVSPCDD-QGZVFWFLSA-N 1 3 325.447 2.813 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1C(C)(C)C ZINC000349071747 146047372 /nfs/dbraw/zinc/04/73/72/146047372.db2.gz HLPLTATWPAXXQJ-GOSISDBHSA-N 1 3 349.567 2.566 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cn(C)nc1C(C)(C)C ZINC000349071747 146047373 /nfs/dbraw/zinc/04/73/73/146047373.db2.gz HLPLTATWPAXXQJ-GOSISDBHSA-N 1 3 349.567 2.566 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000349089382 146051103 /nfs/dbraw/zinc/05/11/03/146051103.db2.gz PQXRDGJYOYPMGY-HXUWFJFHSA-N 1 3 343.515 2.684 20 0 EFADHO CC(C)c1nn(-c2ccccc2)cc1CNCCOCC[NH+](C)C ZINC000349220516 146067005 /nfs/dbraw/zinc/06/70/05/146067005.db2.gz UDRQASSYFXUBIJ-UHFFFAOYSA-N 1 3 330.476 2.664 20 0 EFADHO C[C@@H]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)NCCN(C)C)C1 ZINC000350871681 146098017 /nfs/dbraw/zinc/09/80/17/146098017.db2.gz RLNXMGOZLVUVKM-HOJAQTOUSA-N 1 3 345.531 2.691 20 0 EFADHO Cc1ccccc1CN(C)C(=O)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000350923182 146101221 /nfs/dbraw/zinc/10/12/21/146101221.db2.gz WODIMWINIIKHHX-QGZVFWFLSA-N 1 3 331.504 2.616 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCC1 ZINC000350953893 146103624 /nfs/dbraw/zinc/10/36/24/146103624.db2.gz XLYZKPGYRRGRCR-AOIWGVFYSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1ccc(-c2noc(CCCN3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000351472599 146126288 /nfs/dbraw/zinc/12/62/88/146126288.db2.gz BEPKQMWGXCEBFM-YQQAZPJKSA-N 1 3 344.434 2.786 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCc3nc(-c4cccc(Cl)c4)no3)C[C@H]12 ZINC000351501447 146132419 /nfs/dbraw/zinc/13/24/19/146132419.db2.gz YBTSKMLEKZIDAT-AEGPPILISA-N 1 3 332.835 2.602 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000351579918 146151341 /nfs/dbraw/zinc/15/13/41/146151341.db2.gz HMZKPZGOMPMPHI-WZGPROSRSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000351579918 146151344 /nfs/dbraw/zinc/15/13/44/146151344.db2.gz HMZKPZGOMPMPHI-WZGPROSRSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000351579916 146151551 /nfs/dbraw/zinc/15/15/51/146151551.db2.gz HMZKPZGOMPMPHI-JCHJZTRSSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)N(C)C ZINC000351579916 146151552 /nfs/dbraw/zinc/15/15/52/146151552.db2.gz HMZKPZGOMPMPHI-JCHJZTRSSA-N 1 3 344.503 2.604 20 0 EFADHO CN1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000351693875 146179881 /nfs/dbraw/zinc/17/98/81/146179881.db2.gz RBBPUOOSIBDKHM-LJQANCHMSA-N 1 3 347.478 2.894 20 0 EFADHO C[C@H](F)CC[NH+]1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000351882032 146225053 /nfs/dbraw/zinc/22/50/53/146225053.db2.gz OCYRSJSCUPAHFX-KRWDZBQOSA-N 1 3 349.494 2.695 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000351909910 146233074 /nfs/dbraw/zinc/23/30/74/146233074.db2.gz WGENNKRMNAYGDT-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000351909910 146233076 /nfs/dbraw/zinc/23/30/76/146233076.db2.gz WGENNKRMNAYGDT-IBGZPJMESA-N 1 3 346.519 2.682 20 0 EFADHO CC(C)OC(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352827174 146326864 /nfs/dbraw/zinc/32/68/64/146326864.db2.gz UUBZBVWTPORGHP-HXUWFJFHSA-N 1 3 330.472 2.926 20 0 EFADHO CC(C)OC(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352827174 146326866 /nfs/dbraw/zinc/32/68/66/146326866.db2.gz UUBZBVWTPORGHP-HXUWFJFHSA-N 1 3 330.472 2.926 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000352833584 146328237 /nfs/dbraw/zinc/32/82/37/146328237.db2.gz JDIGAWZZQMGAFE-CYBMUJFWSA-N 1 3 345.409 2.527 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC(C)(C)C(=O)OC)CC1 ZINC000352900477 146344181 /nfs/dbraw/zinc/34/41/81/146344181.db2.gz VKLLBFDPHFRXBH-UHFFFAOYSA-N 1 3 347.503 2.507 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N(C)CCN(C)C1CC1)[NH+]1CCCC1 ZINC000353025508 146379158 /nfs/dbraw/zinc/37/91/58/146379158.db2.gz HXJZUDGUTVBGLA-SFHVURJKSA-N 1 3 338.540 2.623 20 0 EFADHO NC(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000353446915 146481764 /nfs/dbraw/zinc/48/17/64/146481764.db2.gz KKMLYASFUKZPHF-HNNXBMFYSA-N 1 3 343.393 2.568 20 0 EFADHO C[C@]1(CNC(=O)C23CCC[NH+]2CCC3)CCCN1Cc1ccccc1 ZINC000355937348 147104066 /nfs/dbraw/zinc/10/40/66/147104066.db2.gz LDWNKTXNAJIRSV-HXUWFJFHSA-N 1 3 341.499 2.786 20 0 EFADHO CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)N1CCC(C)CC1)C(C)C ZINC000355957187 147108677 /nfs/dbraw/zinc/10/86/77/147108677.db2.gz GMQLEEBDXXEOJP-SFHVURJKSA-N 1 3 340.556 2.867 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000356180799 147169635 /nfs/dbraw/zinc/16/96/35/147169635.db2.gz KSYMFDRJKZEUFT-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000356232983 147183678 /nfs/dbraw/zinc/18/36/78/147183678.db2.gz HBFOJKAWVUIUQJ-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000356298440 147204395 /nfs/dbraw/zinc/20/43/95/147204395.db2.gz CMDXKNLAJCUQKS-ROUUACIJSA-N 1 3 331.504 2.733 20 0 EFADHO CCc1oc(CNCC2(SC)CC[NH+](C)CC2)cc1C(=O)OC ZINC000356352430 147221317 /nfs/dbraw/zinc/22/13/17/147221317.db2.gz AXWURQBXBVXIQQ-UHFFFAOYSA-N 1 3 340.489 2.546 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCOC1 ZINC000356878269 147361180 /nfs/dbraw/zinc/36/11/80/147361180.db2.gz SRIRNOPTNGHHQF-VQIMIIECSA-N 1 3 332.488 2.548 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000356891595 147364381 /nfs/dbraw/zinc/36/43/81/147364381.db2.gz GZHHFXHQZRCVPF-NQIIRXRSSA-N 1 3 345.531 2.729 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000356953592 147382728 /nfs/dbraw/zinc/38/27/28/147382728.db2.gz QXNLABCOEYAINV-HNNXBMFYSA-N 1 3 347.503 2.749 20 0 EFADHO Cc1cccc(C(=O)N2CCCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359220181 148026825 /nfs/dbraw/zinc/02/68/25/148026825.db2.gz ODYHFDMLNRXBFX-UHFFFAOYSA-N 1 3 329.488 2.533 20 0 EFADHO COc1cccc([C@@H](C)N2CCN(CCC3CC[NH2+]CC3)CC2)c1 ZINC000359227392 148029368 /nfs/dbraw/zinc/02/93/68/148029368.db2.gz WFLNEFQVJGXZOG-QGZVFWFLSA-N 1 3 331.504 2.764 20 0 EFADHO O=C(c1ccc(Cl)cc1)N1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000359228603 148030439 /nfs/dbraw/zinc/03/04/39/148030439.db2.gz XYKIQXDLELDILS-UHFFFAOYSA-N 1 3 349.906 2.878 20 0 EFADHO Cc1c[nH+]ccc1N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000359513430 148106655 /nfs/dbraw/zinc/10/66/55/148106655.db2.gz FIIRLBSLKNEGFH-UHFFFAOYSA-N 1 3 340.471 2.657 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC2(N(C)C)CCCC2)[C@@H](C)C1 ZINC000359608028 148138105 /nfs/dbraw/zinc/13/81/05/148138105.db2.gz RQXDDYDWCBOEOJ-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCN(CC)[C@@H](C[NH2+]C1CCN(CCOC)CC1)c1ccccc1 ZINC000359942866 148230793 /nfs/dbraw/zinc/23/07/93/148230793.db2.gz XLMOSEHDWBTHOA-FQEVSTJZSA-N 1 3 333.520 2.770 20 0 EFADHO CCN1CCN(Cc2ccc(C[NH2+]CC3(OC)CCCC3)cc2)CC1 ZINC000359962488 148236852 /nfs/dbraw/zinc/23/68/52/148236852.db2.gz DQICWXYMTPZPJK-UHFFFAOYSA-N 1 3 345.531 2.873 20 0 EFADHO c1cc2c(cc1CCN1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000360014921 148250867 /nfs/dbraw/zinc/25/08/67/148250867.db2.gz FWXQXMLEFBGUOZ-MJGOQNOKSA-N 1 3 342.483 2.949 20 0 EFADHO c1cc2c(cc1CCN1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000360014921 148250869 /nfs/dbraw/zinc/25/08/69/148250869.db2.gz FWXQXMLEFBGUOZ-MJGOQNOKSA-N 1 3 342.483 2.949 20 0 EFADHO C[C@@H](C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000360214344 148301079 /nfs/dbraw/zinc/30/10/79/148301079.db2.gz VOXQCHCKMGRCAM-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CC[NH+](CC)CC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C ZINC000360299396 148324402 /nfs/dbraw/zinc/32/44/02/148324402.db2.gz QGTZBJVXXLPGKB-SFHVURJKSA-N 1 3 335.492 2.535 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCCC[C@H]2C)[C@@H](C)C1 ZINC000359944227 286063194 /nfs/dbraw/zinc/06/31/94/286063194.db2.gz UJCXUSFLZGMORB-YRPNKDGESA-N 1 3 339.568 2.976 20 0 EFADHO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CCN(C)CC2)c(C)c1 ZINC000414181085 292195487 /nfs/dbraw/zinc/19/54/87/292195487.db2.gz BVLNSDJJPBPIIS-LJQANCHMSA-N 1 3 345.531 2.751 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000363832905 149018218 /nfs/dbraw/zinc/01/82/18/149018218.db2.gz QDVBXIGTGMQYRW-OXQOHEQNSA-N 1 3 341.499 2.670 20 0 EFADHO Cc1ccc(N2CCC[C@H](N3CCC(C[NH+](C)C)CC3)C2=O)cc1 ZINC000364276240 149113293 /nfs/dbraw/zinc/11/32/93/149113293.db2.gz UWZRMQBJSOLDBB-IBGZPJMESA-N 1 3 329.488 2.764 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452797 149156692 /nfs/dbraw/zinc/15/66/92/149156692.db2.gz YGVDHOBDPFBGIM-WDSOQIARSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OCCN(C)C)c1 ZINC000364452797 149156696 /nfs/dbraw/zinc/15/66/96/149156696.db2.gz YGVDHOBDPFBGIM-WDSOQIARSA-N 1 3 331.504 2.904 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000364561131 149185292 /nfs/dbraw/zinc/18/52/92/149185292.db2.gz MYYVJTYPYZWCJY-FRQCXROJSA-N 1 3 347.528 2.637 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000367997843 150006259 /nfs/dbraw/zinc/00/62/59/150006259.db2.gz NNWKIAMVFJLPKN-RDTXWAMCSA-N 1 3 348.462 2.912 20 0 EFADHO CC(C)[NH+](CCCNC(=O)N1CCCC12CCN(C)CC2)C(C)C ZINC000368577647 150152984 /nfs/dbraw/zinc/15/29/84/150152984.db2.gz WTHHXASMVDIFHY-UHFFFAOYSA-N 1 3 338.540 2.765 20 0 EFADHO CN(C)C[C@H]1CCCCN1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000369016463 150258199 /nfs/dbraw/zinc/25/81/99/150258199.db2.gz ODZYHQVYLHDXDZ-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CN1CCC(N2CC[C@@H]([NH2+]CCCCCOc3ccccc3)C2)CC1 ZINC000372741557 151054289 /nfs/dbraw/zinc/05/42/89/151054289.db2.gz OAPCJAFOXORASO-LJQANCHMSA-N 1 3 345.531 2.994 20 0 EFADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704381 292238045 /nfs/dbraw/zinc/23/80/45/292238045.db2.gz NDLTZVOWMYWGJJ-OPYAIIAOSA-N 1 3 343.515 2.965 20 0 EFADHO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000414704381 292238047 /nfs/dbraw/zinc/23/80/47/292238047.db2.gz NDLTZVOWMYWGJJ-OPYAIIAOSA-N 1 3 343.515 2.965 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000373871072 151240985 /nfs/dbraw/zinc/24/09/85/151240985.db2.gz YDQYOYDIHKEUJS-IBGZPJMESA-N 1 3 348.535 2.710 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CCN(C2CC2)CC1 ZINC000373871072 151240988 /nfs/dbraw/zinc/24/09/88/151240988.db2.gz YDQYOYDIHKEUJS-IBGZPJMESA-N 1 3 348.535 2.710 20 0 EFADHO COC(=O)c1ccccc1OCCN1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075977 151280811 /nfs/dbraw/zinc/28/08/11/151280811.db2.gz YOQKGQNFYLSRSS-UHFFFAOYSA-N 1 3 346.471 2.660 20 0 EFADHO CCOc1cccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374253141 151308543 /nfs/dbraw/zinc/30/85/43/151308543.db2.gz FGGSBTCDFMMCOJ-PXNSSMCTSA-N 1 3 331.504 2.543 20 0 EFADHO CCOc1cccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 ZINC000374253141 151308545 /nfs/dbraw/zinc/30/85/45/151308545.db2.gz FGGSBTCDFMMCOJ-PXNSSMCTSA-N 1 3 331.504 2.543 20 0 EFADHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000374288453 151315868 /nfs/dbraw/zinc/31/58/68/151315868.db2.gz QWCGBIKYXHZXLQ-HXUWFJFHSA-N 1 3 344.499 2.692 20 0 EFADHO CN(C)CCN1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374289486 151316138 /nfs/dbraw/zinc/31/61/38/151316138.db2.gz XKANJGABBXMYSU-YLJYHZDGSA-N 1 3 330.520 2.723 20 0 EFADHO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000374522957 151363016 /nfs/dbraw/zinc/36/30/16/151363016.db2.gz UOSAMFHGXSRDIK-ZWKOTPCHSA-N 1 3 342.483 2.972 20 0 EFADHO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC2(CC2)C(=O)O1 ZINC000374522957 151363019 /nfs/dbraw/zinc/36/30/19/151363019.db2.gz UOSAMFHGXSRDIK-ZWKOTPCHSA-N 1 3 342.483 2.972 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374632729 151385457 /nfs/dbraw/zinc/38/54/57/151385457.db2.gz VEVXFCPWCFTBQB-JLJPHGGASA-N 1 3 341.455 2.694 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374632732 151385732 /nfs/dbraw/zinc/38/57/32/151385732.db2.gz VEVXFCPWCFTBQB-YSVLISHTSA-N 1 3 341.455 2.694 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)C1(CC)CC ZINC000362031790 286290156 /nfs/dbraw/zinc/29/01/56/286290156.db2.gz FHEUWHPLSAGATG-BHIYHBOVSA-N 1 3 337.552 2.728 20 0 EFADHO COc1ccc([C@H](C)CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422782048 286366907 /nfs/dbraw/zinc/36/69/07/286366907.db2.gz MOODYQANPMTCHC-HUYLIWGRSA-N 1 3 332.488 2.936 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422760989 286373251 /nfs/dbraw/zinc/37/32/51/286373251.db2.gz QSRNJMFSWYCSMK-IHPCNDPISA-N 1 3 331.504 2.939 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423280925 286690179 /nfs/dbraw/zinc/69/01/79/286690179.db2.gz TYENSEOYFDOVBV-QRTARXTBSA-N 1 3 339.505 2.616 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000361714655 286834488 /nfs/dbraw/zinc/83/44/88/286834488.db2.gz SACLTNODKMQAGU-ZWKOTPCHSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351975788 287008419 /nfs/dbraw/zinc/00/84/19/287008419.db2.gz ORCPJSIEQUWGAD-SJLPKXTDSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261739441 287139116 /nfs/dbraw/zinc/13/91/16/287139116.db2.gz SOCVFKHHYQHGDV-ZFWWWQNUSA-N 1 3 343.393 2.626 20 0 EFADHO C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000359387078 287288733 /nfs/dbraw/zinc/28/87/33/287288733.db2.gz AQVWESSHJGYMTB-UXPWSPDFSA-N 1 3 338.536 2.797 20 0 EFADHO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](CCO)C2CCOCC2)CC1 ZINC000359387078 287288736 /nfs/dbraw/zinc/28/87/36/287288736.db2.gz AQVWESSHJGYMTB-UXPWSPDFSA-N 1 3 338.536 2.797 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000163927914 226029191 /nfs/dbraw/zinc/02/91/91/226029191.db2.gz BUVSFTLLDGCYCG-LJQANCHMSA-N 1 3 333.545 2.680 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000165308951 226118853 /nfs/dbraw/zinc/11/88/53/226118853.db2.gz ZGTMXMXIGMNZKQ-YXYSEUPNSA-N 1 3 329.532 2.869 20 0 EFADHO C[C@H](C(=O)NCCN(C)Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000165931526 226142893 /nfs/dbraw/zinc/14/28/93/226142893.db2.gz JJTMIJBNIQNSEA-QFBILLFUSA-N 1 3 325.456 2.571 20 0 EFADHO C[C@H]([NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)c1cccc(OCCN(C)C)c1 ZINC000166265434 226153607 /nfs/dbraw/zinc/15/36/07/226153607.db2.gz DDOOYWVHUMIMIX-XYJFISCASA-N 1 3 331.504 2.903 20 0 EFADHO C[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2[NH3+])CCN1Cc1ccccc1 ZINC000167540367 226193214 /nfs/dbraw/zinc/19/32/14/226193214.db2.gz YYPFKHWQWNHDGT-OOKRNFQXSA-N 1 3 341.499 2.529 20 0 EFADHO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1OCCN1CCCC1 ZINC000169091305 226231164 /nfs/dbraw/zinc/23/11/64/226231164.db2.gz FRJOXLRKMSAADY-IRXDYDNUSA-N 1 3 345.487 2.926 20 0 EFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000423272607 292604278 /nfs/dbraw/zinc/60/42/78/292604278.db2.gz JWYVDFOZTQEPOJ-USXIJHARSA-N 1 3 336.476 2.889 20 0 EFADHO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1F ZINC000123873074 222345673 /nfs/dbraw/zinc/34/56/73/222345673.db2.gz GGVLMGRMXCMLKT-UHFFFAOYSA-N 1 3 343.446 2.715 20 0 EFADHO CN(C)CCNC(=O)C1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000092615611 544548270 /nfs/dbraw/zinc/54/82/70/544548270.db2.gz UXNQQSMRSRUEHQ-UHFFFAOYSA-N 1 3 345.512 2.791 20 0 EFADHO CN(C)CCOc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597053 544554966 /nfs/dbraw/zinc/55/49/66/544554966.db2.gz HVLXQQFMSHUIJY-LJQANCHMSA-N 1 3 331.504 2.545 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)[C@H](C)C1 ZINC000115628352 544572837 /nfs/dbraw/zinc/57/28/37/544572837.db2.gz JQTRVUIOXZDHJF-AEFFLSMTSA-N 1 3 336.524 2.865 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 ZINC000125447775 544616533 /nfs/dbraw/zinc/61/65/33/544616533.db2.gz VQWHAMFIMHITOC-NRFANRHFSA-N 1 3 345.531 2.832 20 0 EFADHO CCC[NH+]1CCC(NC[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC000131761498 544664723 /nfs/dbraw/zinc/66/47/23/544664723.db2.gz LBUAUKUENVYRRY-IBGZPJMESA-N 1 3 325.541 2.587 20 0 EFADHO CCCN1CCC([NH2+]CC2(N3CCSCC3)CCCC2)CC1 ZINC000153804069 544739065 /nfs/dbraw/zinc/73/90/65/544739065.db2.gz KNZFYMFTVCEJCK-UHFFFAOYSA-N 1 3 325.566 2.812 20 0 EFADHO CCCN1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000162757785 544828967 /nfs/dbraw/zinc/82/89/67/544828967.db2.gz TWNVRSDJUDMMIW-UHFFFAOYSA-N 1 3 327.476 2.848 20 0 EFADHO CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000165726770 544848667 /nfs/dbraw/zinc/84/86/67/544848667.db2.gz HCOKGMCRGWJJSY-IBGZPJMESA-N 1 3 331.504 2.964 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCCN2)C1 ZINC000164845670 544844196 /nfs/dbraw/zinc/84/41/96/544844196.db2.gz CSLDWVSKNPCMEJ-ZWOKBUDYSA-N 1 3 343.515 2.923 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277197941 273149978 /nfs/dbraw/zinc/14/99/78/273149978.db2.gz MILIGJOAINSQNH-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000277197941 273149979 /nfs/dbraw/zinc/14/99/79/273149979.db2.gz MILIGJOAINSQNH-MRXNPFEDSA-N 1 3 333.476 2.830 20 0 EFADHO CC[N@@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)[C@H](C)C1 ZINC000277206197 273150864 /nfs/dbraw/zinc/15/08/64/273150864.db2.gz WEPYNBHMTDQZIP-HOJAQTOUSA-N 1 3 347.572 2.924 20 0 EFADHO CC[N@H+]1CC[C@H](NC[C@H]2CSCCN2Cc2ccccc2)[C@H](C)C1 ZINC000277206197 273150866 /nfs/dbraw/zinc/15/08/66/273150866.db2.gz WEPYNBHMTDQZIP-HOJAQTOUSA-N 1 3 347.572 2.924 20 0 EFADHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC1CC[NH+](CC2CC2)CC1 ZINC000184553209 265020066 /nfs/dbraw/zinc/02/00/66/265020066.db2.gz QOFMPGFMMATMLQ-SJORKVTESA-N 1 3 337.508 2.896 20 0 EFADHO CCOC(=O)N1CC[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000186466895 265068925 /nfs/dbraw/zinc/06/89/25/265068925.db2.gz ZTYXCQPKSYFLQS-WBVHZDCISA-N 1 3 349.475 2.508 20 0 EFADHO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000186599830 265073063 /nfs/dbraw/zinc/07/30/63/265073063.db2.gz NEXSBDCFLAXAQQ-HUUCEWRRSA-N 1 3 336.549 2.699 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000189911760 265204800 /nfs/dbraw/zinc/20/48/00/265204800.db2.gz XXCWNIZVTXWELK-IEBWSBKVSA-N 1 3 346.519 2.633 20 0 EFADHO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000190139305 265210717 /nfs/dbraw/zinc/21/07/17/265210717.db2.gz QDWZUPJSPYTABU-ZWKOTPCHSA-N 1 3 338.540 2.624 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773562 265306831 /nfs/dbraw/zinc/30/68/31/265306831.db2.gz AAHPXXKEKMCBPS-RTBURBONSA-N 1 3 339.568 2.928 20 0 EFADHO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCN1CCN(C(C)C)CC1 ZINC000192773562 265306837 /nfs/dbraw/zinc/30/68/37/265306837.db2.gz AAHPXXKEKMCBPS-RTBURBONSA-N 1 3 339.568 2.928 20 0 EFADHO CCC1(CC)[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1OC ZINC000192773533 265308305 /nfs/dbraw/zinc/30/83/05/265308305.db2.gz AAHPXXKEKMCBPS-MOPGFXCFSA-N 1 3 339.568 2.928 20 0 EFADHO CCC1(CC)[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C[C@@H]1OC ZINC000192773533 265308307 /nfs/dbraw/zinc/30/83/07/265308307.db2.gz AAHPXXKEKMCBPS-MOPGFXCFSA-N 1 3 339.568 2.928 20 0 EFADHO COCC[N@H+](C)CCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000193974240 265355427 /nfs/dbraw/zinc/35/54/27/265355427.db2.gz NCPJBKKQFGSYNX-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO COCC[N@@H+](C)CCCN[C@@H]1CCc2ccc(Br)cc21 ZINC000193974240 265355431 /nfs/dbraw/zinc/35/54/31/265355431.db2.gz NCPJBKKQFGSYNX-MRXNPFEDSA-N 1 3 341.293 2.994 20 0 EFADHO CCN1CCN(CCC[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971375 265355923 /nfs/dbraw/zinc/35/59/23/265355923.db2.gz XIBHBVYRAKAUFG-GOSISDBHSA-N 1 3 339.911 2.645 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000271278547 265934779 /nfs/dbraw/zinc/93/47/79/265934779.db2.gz BZEFFUNAHNEXHC-IBGZPJMESA-N 1 3 346.519 2.733 20 0 EFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1=CC[N@H+](C)CC1 ZINC000271806143 266064921 /nfs/dbraw/zinc/06/49/21/266064921.db2.gz AXXWSKLLCYHFIG-UHFFFAOYSA-N 1 3 328.435 2.980 20 0 EFADHO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1=CC[N@@H+](C)CC1 ZINC000271806143 266064925 /nfs/dbraw/zinc/06/49/25/266064925.db2.gz AXXWSKLLCYHFIG-UHFFFAOYSA-N 1 3 328.435 2.980 20 0 EFADHO CCOc1cccc2cc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)oc21 ZINC000271820518 266069567 /nfs/dbraw/zinc/06/95/67/266069567.db2.gz CDBIKLGQACFMJQ-AWEZNQCLSA-N 1 3 332.444 2.939 20 0 EFADHO CC[NH+](CC)CCC[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000271817722 266069594 /nfs/dbraw/zinc/06/95/94/266069594.db2.gz OMRUQZCUGVTJMF-SJORKVTESA-N 1 3 340.533 2.949 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1(C)C ZINC000271857087 266079744 /nfs/dbraw/zinc/07/97/44/266079744.db2.gz JLWWYDICRLKHEV-WOJBJXKFSA-N 1 3 346.515 2.937 20 0 EFADHO COCCOc1ccc([C@@H](C)NCC2=CC[N@H+](C)CC2)cc1OC ZINC000271862190 266082817 /nfs/dbraw/zinc/08/28/17/266082817.db2.gz KQYGLTOSOFKJQY-OAHLLOKOSA-N 1 3 334.460 2.633 20 0 EFADHO COCCOc1ccc([C@@H](C)NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271862190 266082819 /nfs/dbraw/zinc/08/28/19/266082819.db2.gz KQYGLTOSOFKJQY-OAHLLOKOSA-N 1 3 334.460 2.633 20 0 EFADHO COCCOc1ccc([C@@H](C)[NH2+]CC2=CCN(C)CC2)cc1OC ZINC000271862190 266082821 /nfs/dbraw/zinc/08/28/21/266082821.db2.gz KQYGLTOSOFKJQY-OAHLLOKOSA-N 1 3 334.460 2.633 20 0 EFADHO CCC[N@H+](CC)Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1 ZINC000272008053 266122273 /nfs/dbraw/zinc/12/22/73/266122273.db2.gz SRFWFWZEZJTYRC-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2=CCN(C)CC2)cc1 ZINC000272008053 266122277 /nfs/dbraw/zinc/12/22/77/266122277.db2.gz SRFWFWZEZJTYRC-UHFFFAOYSA-N 1 3 329.488 2.910 20 0 EFADHO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)c[nH]1 ZINC000272239746 266201902 /nfs/dbraw/zinc/20/19/02/266201902.db2.gz WGLZOHNPNVCFRW-CRAIPNDOSA-N 1 3 341.455 2.802 20 0 EFADHO COCCN1CCC([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000272319078 266227661 /nfs/dbraw/zinc/22/76/61/266227661.db2.gz KPKVUTNXEVIKGY-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272554023 266305294 /nfs/dbraw/zinc/30/52/94/266305294.db2.gz FSKFHDLFGSQSQD-NVXWUHKLSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H](NCCN(C)CC(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272554023 266305295 /nfs/dbraw/zinc/30/52/95/266305295.db2.gz FSKFHDLFGSQSQD-NVXWUHKLSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H](NCCN(C)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554023 266305297 /nfs/dbraw/zinc/30/52/97/266305297.db2.gz FSKFHDLFGSQSQD-NVXWUHKLSA-N 1 3 343.437 2.981 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272600311 266322778 /nfs/dbraw/zinc/32/27/78/266322778.db2.gz YITGOOVHDFYUPS-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272600311 266322782 /nfs/dbraw/zinc/32/27/82/266322782.db2.gz YITGOOVHDFYUPS-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272600311 266322784 /nfs/dbraw/zinc/32/27/84/266322784.db2.gz YITGOOVHDFYUPS-QUCCMNQESA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272600312 266323264 /nfs/dbraw/zinc/32/32/64/266323264.db2.gz YITGOOVHDFYUPS-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272600312 266323266 /nfs/dbraw/zinc/32/32/66/266323266.db2.gz YITGOOVHDFYUPS-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](NCCC(=O)N1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272600312 266323269 /nfs/dbraw/zinc/32/32/69/266323269.db2.gz YITGOOVHDFYUPS-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272600309 266323340 /nfs/dbraw/zinc/32/33/40/266323340.db2.gz YITGOOVHDFYUPS-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272600309 266323343 /nfs/dbraw/zinc/32/33/43/266323343.db2.gz YITGOOVHDFYUPS-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](NCCC(=O)N1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272600309 266323344 /nfs/dbraw/zinc/32/33/44/266323344.db2.gz YITGOOVHDFYUPS-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO COCCOCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000272645194 266338188 /nfs/dbraw/zinc/33/81/88/266338188.db2.gz DJGCUONTCMFBGR-NJDAHSKKSA-N 1 3 346.515 2.930 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272657508 266340934 /nfs/dbraw/zinc/34/09/34/266340934.db2.gz MDFIHNWLOUDCAQ-DFQSSKMNSA-N 1 3 327.516 2.971 20 0 EFADHO C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272664241 266343828 /nfs/dbraw/zinc/34/38/28/266343828.db2.gz RZOXAUZKJOVAMB-REHHDOPLSA-N 1 3 327.516 2.969 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000275117615 266754431 /nfs/dbraw/zinc/75/44/31/266754431.db2.gz ZBHXBKIIJBQYIE-HZPDHXFCSA-N 1 3 346.519 2.890 20 0 EFADHO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2CCN(C)C)C1 ZINC000275636078 266844917 /nfs/dbraw/zinc/84/49/17/266844917.db2.gz LHBXRBKMESSWAI-QGZVFWFLSA-N 1 3 332.492 2.739 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000108544908 273010277 /nfs/dbraw/zinc/01/02/77/273010277.db2.gz WDXCGMKNMYCEDS-LJQANCHMSA-N 1 3 346.519 2.669 20 0 EFADHO CN1CCC(O)(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000276943133 267083458 /nfs/dbraw/zinc/08/34/58/267083458.db2.gz NTGUALOPIGMVDK-UHFFFAOYSA-N 1 3 347.684 2.649 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000277158596 267121394 /nfs/dbraw/zinc/12/13/94/267121394.db2.gz QWHXPGSBQIESLE-NZSAHSFTSA-N 1 3 333.545 2.676 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2CSCCN2Cc2ccccc2)CC[N@H+]1C ZINC000277158596 267121395 /nfs/dbraw/zinc/12/13/95/267121395.db2.gz QWHXPGSBQIESLE-NZSAHSFTSA-N 1 3 333.545 2.676 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000277390188 267170413 /nfs/dbraw/zinc/17/04/13/267170413.db2.gz XISQRBDJSYXZEE-OALUTQOASA-N 1 3 329.488 2.594 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1F ZINC000278300344 267393990 /nfs/dbraw/zinc/39/39/90/267393990.db2.gz CDDGHOIYAKHZLR-QZTJIDSGSA-N 1 3 336.451 2.692 20 0 EFADHO C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)N(C)C1CC1 ZINC000157772068 273021407 /nfs/dbraw/zinc/02/14/07/273021407.db2.gz HTKLHSFDCMGPGR-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000173782859 273025806 /nfs/dbraw/zinc/02/58/06/273025806.db2.gz XQDAYRWXXPDCTP-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO Fc1cccc(OCCN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173946508 273026618 /nfs/dbraw/zinc/02/66/18/273026618.db2.gz ZZIYFERSNKOADU-UHFFFAOYSA-N 1 3 336.451 2.781 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177049320 273035986 /nfs/dbraw/zinc/03/59/86/273035986.db2.gz NJUYNLCVNYISAM-KRWDZBQOSA-N 1 3 332.492 2.848 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000177049320 273035987 /nfs/dbraw/zinc/03/59/87/273035987.db2.gz NJUYNLCVNYISAM-KRWDZBQOSA-N 1 3 332.492 2.848 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN(C)C2CCCC2)CC1 ZINC000193715188 273064236 /nfs/dbraw/zinc/06/42/36/273064236.db2.gz ZWFXIRCCURALON-UHFFFAOYSA-N 1 3 343.515 2.950 20 0 EFADHO CC(=O)NCC1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000271139711 273101254 /nfs/dbraw/zinc/10/12/54/273101254.db2.gz OKJRCKUKJVBYRQ-UHFFFAOYSA-N 1 3 345.531 2.993 20 0 EFADHO CC(=O)NCC1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000271139711 273101255 /nfs/dbraw/zinc/10/12/55/273101255.db2.gz OKJRCKUKJVBYRQ-UHFFFAOYSA-N 1 3 345.531 2.993 20 0 EFADHO Cn1cnc2cc(CN3CCC(OCC[NH+]4CCCC4)CC3)ccc21 ZINC000271758970 273108795 /nfs/dbraw/zinc/10/87/95/273108795.db2.gz DFTGMRSFIDDMHD-UHFFFAOYSA-N 1 3 342.487 2.650 20 0 EFADHO C[C@H]([NH2+]CCN1CCOCC1(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274970309 273136433 /nfs/dbraw/zinc/13/64/33/273136433.db2.gz XYZQCJZDVKWNQK-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOCC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274970309 273136435 /nfs/dbraw/zinc/13/64/35/273136435.db2.gz XYZQCJZDVKWNQK-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@H](NCCN1CCOCC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274970309 273136437 /nfs/dbraw/zinc/13/64/37/273136437.db2.gz XYZQCJZDVKWNQK-AZUAARDMSA-N 1 3 345.531 2.597 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277080869 273146216 /nfs/dbraw/zinc/14/62/16/273146216.db2.gz XXDLVYAIPKNHLE-NEWSRXKRSA-N 1 3 342.483 2.972 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277080869 273146217 /nfs/dbraw/zinc/14/62/17/273146217.db2.gz XXDLVYAIPKNHLE-NEWSRXKRSA-N 1 3 342.483 2.972 20 0 EFADHO CN(C)[C@H]1CCC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000277318572 273152325 /nfs/dbraw/zinc/15/23/25/273152325.db2.gz UYHNGWNEFWYAFO-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000277318572 273152327 /nfs/dbraw/zinc/15/23/27/273152327.db2.gz UYHNGWNEFWYAFO-ICSRJNTNSA-N 1 3 343.515 2.986 20 0 EFADHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279004386 273165595 /nfs/dbraw/zinc/16/55/95/273165595.db2.gz GZVKAWZAGJKDCW-QUCCMNQESA-N 1 3 341.499 2.594 20 0 EFADHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000279004386 273165596 /nfs/dbraw/zinc/16/55/96/273165596.db2.gz GZVKAWZAGJKDCW-QUCCMNQESA-N 1 3 341.499 2.594 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000279267539 273195444 /nfs/dbraw/zinc/19/54/44/273195444.db2.gz WFHYSLPIONDBOY-QFBILLFUSA-N 1 3 329.488 2.640 20 0 EFADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000279267539 273195445 /nfs/dbraw/zinc/19/54/45/273195445.db2.gz WFHYSLPIONDBOY-QFBILLFUSA-N 1 3 329.488 2.640 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](COC)c1ccc(Cl)cc1 ZINC000279640086 273237129 /nfs/dbraw/zinc/23/71/29/273237129.db2.gz ARGISRFVVWKOPD-DLBZAZTESA-N 1 3 328.884 2.974 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000279661024 273239238 /nfs/dbraw/zinc/23/92/38/273239238.db2.gz DEUPBEKGPFMDKE-HSALFYBXSA-N 1 3 344.499 2.717 20 0 EFADHO COc1cc(Cl)ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000280230587 273304812 /nfs/dbraw/zinc/30/48/12/273304812.db2.gz MICPDXMWWWTNGR-UHFFFAOYSA-N 1 3 339.911 2.806 20 0 EFADHO O[C@@H](C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000280482991 273332811 /nfs/dbraw/zinc/33/28/11/273332811.db2.gz PTRAQTMSARSHOP-ZVDOUQERSA-N 1 3 340.442 2.923 20 0 EFADHO O[C@@H](C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1)c1ccc(F)cc1 ZINC000280482991 273332812 /nfs/dbraw/zinc/33/28/12/273332812.db2.gz PTRAQTMSARSHOP-ZVDOUQERSA-N 1 3 340.442 2.923 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280916619 273380956 /nfs/dbraw/zinc/38/09/56/273380956.db2.gz PKWXEBVRFXBNIY-HZPDHXFCSA-N 1 3 333.867 2.883 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000280916622 273380965 /nfs/dbraw/zinc/38/09/65/273380965.db2.gz PKWXEBVRFXBNIY-JKSUJKDBSA-N 1 3 333.867 2.883 20 0 EFADHO COc1ccccc1-n1nccc1CNCC1(C)CC[NH+](C)CC1 ZINC000281797010 273470328 /nfs/dbraw/zinc/47/03/28/273470328.db2.gz VCPHGYRDEILKAM-UHFFFAOYSA-N 1 3 328.460 2.702 20 0 EFADHO COCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000281995468 273499359 /nfs/dbraw/zinc/49/93/59/273499359.db2.gz CRFPLVOWUHMLJE-QUCCMNQESA-N 1 3 334.504 2.964 20 0 EFADHO CN(C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCCF)cc1 ZINC000282836939 273626137 /nfs/dbraw/zinc/62/61/37/273626137.db2.gz VWNHKMAWXNGYCS-HKUYNNGSSA-N 1 3 349.494 2.986 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)C[C@@H]1C ZINC000129772655 287707541 /nfs/dbraw/zinc/70/75/41/287707541.db2.gz PRSSXDPARCLKDQ-JTDSTZFVSA-N 1 3 331.504 2.892 20 0 EFADHO CN(CCC(=O)N1CCc2sccc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285501632 274012786 /nfs/dbraw/zinc/01/27/86/274012786.db2.gz MUBPDHSDNWJTCN-SJPCQFCGSA-N 1 3 347.528 2.580 20 0 EFADHO CN(CCC(=O)N1CCc2sccc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285501632 274012787 /nfs/dbraw/zinc/01/27/87/274012787.db2.gz MUBPDHSDNWJTCN-SJPCQFCGSA-N 1 3 347.528 2.580 20 0 EFADHO COCCC1(C[NH2+]CCN2CCN(C)C(C)(C)C2)CCCCC1 ZINC000441336601 274018540 /nfs/dbraw/zinc/01/85/40/274018540.db2.gz PJYQHGFPQDMREK-UHFFFAOYSA-N 1 3 325.541 2.589 20 0 EFADHO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C(N)=O ZINC000285897717 274096363 /nfs/dbraw/zinc/09/63/63/274096363.db2.gz BDMLKFUYFCQMFA-GUDVDZBRSA-N 1 3 343.515 2.778 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000286036734 274121150 /nfs/dbraw/zinc/12/11/50/274121150.db2.gz KJYYOSULOIMYDB-OCCSQVGLSA-N 1 3 328.478 2.542 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cc(C(=O)OC)cs1 ZINC000286036737 274121193 /nfs/dbraw/zinc/12/11/93/274121193.db2.gz KJYYOSULOIMYDB-TZMCWYRMSA-N 1 3 328.478 2.542 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)CN1CCCCC1 ZINC000286064789 274126385 /nfs/dbraw/zinc/12/63/85/274126385.db2.gz LPGANZPMNOTZCG-CABCVRRESA-N 1 3 331.460 2.790 20 0 EFADHO COC[C@H](C[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)OC ZINC000286094438 274132512 /nfs/dbraw/zinc/13/25/12/274132512.db2.gz MGPDGEVOEIWZGY-UWHLTILDSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000286094438 274132514 /nfs/dbraw/zinc/13/25/14/274132514.db2.gz MGPDGEVOEIWZGY-UWHLTILDSA-N 1 3 346.515 2.928 20 0 EFADHO COC[C@H](CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000286094438 274132516 /nfs/dbraw/zinc/13/25/16/274132516.db2.gz MGPDGEVOEIWZGY-UWHLTILDSA-N 1 3 346.515 2.928 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](CC[C@@H](O)c3ccccc3)CC2)C[C@@H](C)O1 ZINC000286130470 274139441 /nfs/dbraw/zinc/13/94/41/274139441.db2.gz WKUYHQWNONQWLS-DBXWQHBBSA-N 1 3 346.515 2.931 20 0 EFADHO c1ncn(CC[NH2+][C@@H]2CCCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)n1 ZINC000286131386 274139734 /nfs/dbraw/zinc/13/97/34/274139734.db2.gz OMULMCPBSRQLGF-SLFFLAALSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000286131386 274139736 /nfs/dbraw/zinc/13/97/36/274139736.db2.gz OMULMCPBSRQLGF-SLFFLAALSA-N 1 3 339.487 2.559 20 0 EFADHO c1ncn(CCN[C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000286131386 274139737 /nfs/dbraw/zinc/13/97/37/274139737.db2.gz OMULMCPBSRQLGF-SLFFLAALSA-N 1 3 339.487 2.559 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CN(C)C)c1ccc(OC)cc1 ZINC000286185600 274149743 /nfs/dbraw/zinc/14/97/43/274149743.db2.gz ROHJKDWMSYRUED-YOEHRIQHSA-N 1 3 335.492 2.581 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CN(C)C)c1ccc(OC)cc1 ZINC000286185591 274149831 /nfs/dbraw/zinc/14/98/31/274149831.db2.gz ROHJKDWMSYRUED-RHSMWYFYSA-N 1 3 335.492 2.581 20 0 EFADHO Cc1cnn(C)c1C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000286664632 274246453 /nfs/dbraw/zinc/24/64/53/274246453.db2.gz UTOPNPDRRCHHGR-YRWFTTLQSA-N 1 3 326.488 2.975 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cccc(CN2CCCC2)c1 ZINC000286943771 274306467 /nfs/dbraw/zinc/30/64/67/274306467.db2.gz FHLMHMLNBDVCKN-XLIONFOSSA-N 1 3 341.499 2.981 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287006344 274320900 /nfs/dbraw/zinc/32/09/00/274320900.db2.gz LTZJOBNNXQHFPU-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)C1 ZINC000287006344 274320901 /nfs/dbraw/zinc/32/09/01/274320901.db2.gz LTZJOBNNXQHFPU-ZHALLVOQSA-N 1 3 346.519 2.709 20 0 EFADHO CN1CCN(CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000289554512 274781236 /nfs/dbraw/zinc/78/12/36/274781236.db2.gz XYFSYSPYYLICFW-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO Cc1cccc(N2CCC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)n1 ZINC000422756315 274793522 /nfs/dbraw/zinc/79/35/22/274793522.db2.gz HUNQVRCJIKOZDM-GBESFXJTSA-N 1 3 328.504 2.869 20 0 EFADHO O=C1[C@H](N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1ccc(Cl)cc1 ZINC000420323580 275029205 /nfs/dbraw/zinc/02/92/05/275029205.db2.gz GDPRHSGSLDCUNX-RVKKMQEKSA-N 1 3 347.890 2.767 20 0 EFADHO C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCSCC2)CCCC1 ZINC000422845796 275395380 /nfs/dbraw/zinc/39/53/80/275395380.db2.gz OQEBNIKRZUVDGR-FGTMMUONSA-N 1 3 337.577 2.858 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000418345008 275748589 /nfs/dbraw/zinc/74/85/89/275748589.db2.gz GVGJUPRCQIPLGG-ZWKOTPCHSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000418342491 275748970 /nfs/dbraw/zinc/74/89/70/275748970.db2.gz DYLVPCBMFHZNHE-GOSISDBHSA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000261967563 276056318 /nfs/dbraw/zinc/05/63/18/276056318.db2.gz BVNIHPCRHIQNGR-CMKODMSKSA-N 1 3 329.488 2.706 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418327384 276057980 /nfs/dbraw/zinc/05/79/80/276057980.db2.gz MISZEZAYSGBTNW-CEXWTWQISA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000418327384 276057981 /nfs/dbraw/zinc/05/79/81/276057981.db2.gz MISZEZAYSGBTNW-CEXWTWQISA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000418355131 276058026 /nfs/dbraw/zinc/05/80/26/276058026.db2.gz PBRIXWUBQARQDS-RDTXWAMCSA-N 1 3 332.492 2.579 20 0 EFADHO CCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368453540 276063631 /nfs/dbraw/zinc/06/36/31/276063631.db2.gz KVCUXBCZASPYEH-YSHGAJCASA-N 1 3 329.488 2.798 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C)CC[C@@H]1C ZINC000355473908 276110573 /nfs/dbraw/zinc/11/05/73/276110573.db2.gz LQFMZUBDZGCFRP-KRWDZBQOSA-N 1 3 346.519 2.764 20 0 EFADHO CCN1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000269114887 276162082 /nfs/dbraw/zinc/16/20/82/276162082.db2.gz SBXSAAGMUSSKAV-UHFFFAOYSA-N 1 3 344.503 2.520 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000338270702 276203568 /nfs/dbraw/zinc/20/35/68/276203568.db2.gz OMFSQNBJWMDBAJ-GOSISDBHSA-N 1 3 331.504 2.876 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353952098 276251081 /nfs/dbraw/zinc/25/10/81/276251081.db2.gz SPXMRDNJOPBZRE-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000353952098 276251083 /nfs/dbraw/zinc/25/10/83/276251083.db2.gz SPXMRDNJOPBZRE-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000349052705 276258833 /nfs/dbraw/zinc/25/88/33/276258833.db2.gz ATFKXRHNQYGTGM-RTBURBONSA-N 1 3 335.536 2.831 20 0 EFADHO CCO[C@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411553151 276360624 /nfs/dbraw/zinc/36/06/24/276360624.db2.gz CDSNDQCATKEMRJ-PMACEKPBSA-N 1 3 332.488 2.956 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccs1 ZINC000337581020 276370811 /nfs/dbraw/zinc/37/08/11/276370811.db2.gz NTIJLCRRUIUSNL-MRXNPFEDSA-N 1 3 337.533 2.555 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCc1cccs1 ZINC000337581020 276370812 /nfs/dbraw/zinc/37/08/12/276370812.db2.gz NTIJLCRRUIUSNL-MRXNPFEDSA-N 1 3 337.533 2.555 20 0 EFADHO C[NH+](C)CCOCCN[C@H]1CCc2c1cc(Br)cc2F ZINC000447602222 276792279 /nfs/dbraw/zinc/79/22/79/276792279.db2.gz RUOFHBZIUHZOLN-HNNXBMFYSA-N 1 3 345.256 2.743 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)N2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000341105006 277149895 /nfs/dbraw/zinc/14/98/95/277149895.db2.gz OQYGDFZMIXTUDL-QGZVFWFLSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000342695949 277224238 /nfs/dbraw/zinc/22/42/38/277224238.db2.gz HDODQJJVWILRST-PKOBYXMFSA-N 1 3 343.515 2.575 20 0 EFADHO CNCCC[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000423199690 277268421 /nfs/dbraw/zinc/26/84/21/277268421.db2.gz KNDGGTYCULIIKS-LBPRGKRZSA-N 1 3 346.256 2.811 20 0 EFADHO C[NH2+]CCCN[C@@H](C)CCc1ccc(I)cc1 ZINC000423199690 277268422 /nfs/dbraw/zinc/26/84/22/277268422.db2.gz KNDGGTYCULIIKS-LBPRGKRZSA-N 1 3 346.256 2.811 20 0 EFADHO CC(C)(CNC(=O)c1ccc(C[NH3+])cc1)N1CCc2ccccc2C1 ZINC000236708635 277302371 /nfs/dbraw/zinc/30/23/71/277302371.db2.gz JSEWDYDGYOEPOT-UHFFFAOYSA-N 1 3 337.467 2.712 20 0 EFADHO CO[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000170817622 277337073 /nfs/dbraw/zinc/33/70/73/277337073.db2.gz HFKYXORAEMYGFC-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CO[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000170817622 277337074 /nfs/dbraw/zinc/33/70/74/277337074.db2.gz HFKYXORAEMYGFC-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CC(C)CN(C(=O)C1C[NH+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000457578891 277369256 /nfs/dbraw/zinc/36/92/56/277369256.db2.gz NQACSUDHEJWDQM-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361331807 277478700 /nfs/dbraw/zinc/47/87/00/277478700.db2.gz PMBUBVUHBJSVPU-DLBZAZTESA-N 1 3 326.529 2.526 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420331988 277572958 /nfs/dbraw/zinc/57/29/58/277572958.db2.gz CKMUKMQLRRPPJO-HXUWFJFHSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000418366188 278049177 /nfs/dbraw/zinc/04/91/77/278049177.db2.gz YKBQORYNLDTVMN-ZTFGCOKTSA-N 1 3 332.492 2.721 20 0 EFADHO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)c2ccccc2C1 ZINC000368019242 278056691 /nfs/dbraw/zinc/05/66/91/278056691.db2.gz LZRIVBIPQAWBJY-GGPKGHCWSA-N 1 3 329.488 2.942 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000374169578 278153258 /nfs/dbraw/zinc/15/32/58/278153258.db2.gz DENSNHIBOUXJDU-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418462180 278161475 /nfs/dbraw/zinc/16/14/75/278161475.db2.gz NAHDVIBIWJCHMP-MRXNPFEDSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172542936 278185811 /nfs/dbraw/zinc/18/58/11/278185811.db2.gz POORRPPZDBXRNT-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172542936 278185814 /nfs/dbraw/zinc/18/58/14/278185814.db2.gz POORRPPZDBXRNT-QGZVFWFLSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](CO)c1ccccc1Cl ZINC000423118724 278230257 /nfs/dbraw/zinc/23/02/57/278230257.db2.gz CBHOMWMUEKCMDG-QOKNQOGYSA-N 1 3 332.875 2.964 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccc(C(=O)NCCN(C)C)cc2)CCC[C@@H]1C ZINC000183152520 278542962 /nfs/dbraw/zinc/54/29/62/278542962.db2.gz FQQGHPDJPPJOIQ-FRQCXROJSA-N 1 3 331.504 2.892 20 0 EFADHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)Cc3ccccc3)C2)CC1 ZINC000166436126 278548133 /nfs/dbraw/zinc/54/81/33/278548133.db2.gz WZJSWGWUCUGETB-UXHICEINSA-N 1 3 343.515 2.527 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000195130829 278550117 /nfs/dbraw/zinc/55/01/17/278550117.db2.gz ZCOODZHMCLMFND-HOTGVXAUSA-N 1 3 335.517 2.637 20 0 EFADHO CCC(CC)(CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)OC ZINC000423037350 278587774 /nfs/dbraw/zinc/58/77/74/278587774.db2.gz MTAGUYVBIJSKRC-OXQOHEQNSA-N 1 3 346.471 2.811 20 0 EFADHO CC[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1OCC(=O)N(C)C ZINC000423262964 288066399 /nfs/dbraw/zinc/06/63/99/288066399.db2.gz ACNQNXDZRXNFNG-BPQIPLTHSA-N 1 3 347.503 2.712 20 0 EFADHO CCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262441570 279009084 /nfs/dbraw/zinc/00/90/84/279009084.db2.gz UZLNXPCOWKTUBQ-GPMSIDNRSA-N 1 3 329.488 2.526 20 0 EFADHO C[C@@H]1Cc2ccc(F)cc2[C@@H]1NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350024 279013667 /nfs/dbraw/zinc/01/36/67/279013667.db2.gz BAFLWYZACCYURC-JLTOFOAXSA-N 1 3 347.478 2.591 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C[C@@H](c1ccccc1)N(C)C ZINC000416235564 279115111 /nfs/dbraw/zinc/11/51/11/279115111.db2.gz VAZLAIOZSRMDQO-QRQLOZEOSA-N 1 3 329.488 2.765 20 0 EFADHO CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)CC1 ZINC000431879627 279133648 /nfs/dbraw/zinc/13/36/48/279133648.db2.gz VTPCHBFIOSRBIU-AEFFLSMTSA-N 1 3 338.540 2.671 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000261652325 279137000 /nfs/dbraw/zinc/13/70/00/279137000.db2.gz JTMKOGOHHNHCJG-SFHVURJKSA-N 1 3 331.504 2.923 20 0 EFADHO CC(C)C[C@H](C[N@@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488407 279143716 /nfs/dbraw/zinc/14/37/16/279143716.db2.gz IUNLBMYWNGALHA-APWZRJJASA-N 1 3 339.524 2.953 20 0 EFADHO CC(C)C[C@H](C[N@H+]1CC[C@]2(CCN(C)C2)C1)NC(=O)OC(C)(C)C ZINC000366488407 279143719 /nfs/dbraw/zinc/14/37/19/279143719.db2.gz IUNLBMYWNGALHA-APWZRJJASA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151415205 288102039 /nfs/dbraw/zinc/10/20/39/288102039.db2.gz HYYKJYGUFMXXKQ-GJYPPUQNSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330177 279197156 /nfs/dbraw/zinc/19/71/56/279197156.db2.gz AHPCDOWFQGEPMM-QRQLOZEOSA-N 1 3 341.499 2.676 20 0 EFADHO C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCCCCC1 ZINC000357812310 279223233 /nfs/dbraw/zinc/22/32/33/279223233.db2.gz ZMTGSPZCAHZOBN-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCCCCC1 ZINC000357812310 279223234 /nfs/dbraw/zinc/22/32/34/279223234.db2.gz ZMTGSPZCAHZOBN-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCCN1CC ZINC000104392816 279235771 /nfs/dbraw/zinc/23/57/71/279235771.db2.gz MMPXJZQDDFXKIP-IBGZPJMESA-N 1 3 331.504 2.971 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000266750742 279257521 /nfs/dbraw/zinc/25/75/21/279257521.db2.gz NTOLDQROAHFNFF-MSOLQXFVSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000355938977 279278582 /nfs/dbraw/zinc/27/85/82/279278582.db2.gz JDGLAGLLHYGSHO-AEFFLSMTSA-N 1 3 346.519 2.536 20 0 EFADHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000343501013 279375653 /nfs/dbraw/zinc/37/56/53/279375653.db2.gz XIFFJSYQBNBPEL-PXNSSMCTSA-N 1 3 331.504 2.685 20 0 EFADHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000343501013 279375654 /nfs/dbraw/zinc/37/56/54/279375654.db2.gz XIFFJSYQBNBPEL-PXNSSMCTSA-N 1 3 331.504 2.685 20 0 EFADHO C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000347258030 288133391 /nfs/dbraw/zinc/13/33/91/288133391.db2.gz MZZDDDDYLQAUEF-DNVCBOLYSA-N 1 3 343.519 2.507 20 0 EFADHO CCO[C@H]1C[C@H](NCc2ccncc2OCC[NH+](C)C)C12CCCC2 ZINC000367279501 279935831 /nfs/dbraw/zinc/93/58/31/279935831.db2.gz WUYIXGGHGWULOW-OALUTQOASA-N 1 3 347.503 2.849 20 0 EFADHO O=C(Nc1ccc2c(c1)CNC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000416007699 280025531 /nfs/dbraw/zinc/02/55/31/280025531.db2.gz LIYHCKNJMAFRLP-OAHLLOKOSA-N 1 3 328.460 2.630 20 0 EFADHO CC[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000346908361 280066662 /nfs/dbraw/zinc/06/66/62/280066662.db2.gz BMTFUAHFFGZLOU-IBGZPJMESA-N 1 3 346.519 2.877 20 0 EFADHO C[C@](O)(C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(F)(F)F ZINC000336674007 280143330 /nfs/dbraw/zinc/14/33/30/280143330.db2.gz BUNFLIYARHGWJS-IKGGRYGDSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@](O)(C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(F)(F)F ZINC000336674007 280143334 /nfs/dbraw/zinc/14/33/34/280143334.db2.gz BUNFLIYARHGWJS-IKGGRYGDSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000262729186 280165123 /nfs/dbraw/zinc/16/51/23/280165123.db2.gz BGZYSHMLBTZYHG-VKJFTORMSA-N 1 3 335.517 2.909 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000422807647 288213119 /nfs/dbraw/zinc/21/31/19/288213119.db2.gz KAGUCVPYZXYMJN-KJNZLNQQSA-N 1 3 345.531 2.903 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000355412746 281056077 /nfs/dbraw/zinc/05/60/77/281056077.db2.gz FAZIYPWQCPITPH-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000355412746 281056080 /nfs/dbraw/zinc/05/60/80/281056080.db2.gz FAZIYPWQCPITPH-MSOLQXFVSA-N 1 3 338.540 2.671 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)C2 ZINC000423402513 281119999 /nfs/dbraw/zinc/11/99/99/281119999.db2.gz YFKSIZLXDVHZGH-XOKHGSTOSA-N 1 3 341.421 2.654 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000444182175 281837632 /nfs/dbraw/zinc/83/76/32/281837632.db2.gz KHWODZCUDYMPKZ-QKNQBKEWSA-N 1 3 341.499 2.575 20 0 EFADHO Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(C[C@@H]3CCOC3)CC1)CCC2 ZINC000133066221 282032251 /nfs/dbraw/zinc/03/22/51/282032251.db2.gz FGOOGXHMWRTMJL-YOEHRIQHSA-N 1 3 335.517 2.919 20 0 EFADHO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(CC2CCCCC2)CC1 ZINC000065445129 292683395 /nfs/dbraw/zinc/68/33/95/292683395.db2.gz LHDNLWIEAISAKQ-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO C[NH+](C)C1CCN(CCN[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182108615 289070135 /nfs/dbraw/zinc/07/01/35/289070135.db2.gz KKNMZMGLOSFFGY-SFHVURJKSA-N 1 3 335.467 2.655 20 0 EFADHO CN(C)CC[N@H+](C)CCCN(C)Cc1cc(Br)cs1 ZINC000344048726 289133044 /nfs/dbraw/zinc/13/30/44/289133044.db2.gz ZEGNBWXCHGMXAP-UHFFFAOYSA-N 1 3 348.354 2.826 20 0 EFADHO CN(C)CC[N@@H+](C)CCCN(C)Cc1cc(Br)cs1 ZINC000344048726 289133045 /nfs/dbraw/zinc/13/30/45/289133045.db2.gz ZEGNBWXCHGMXAP-UHFFFAOYSA-N 1 3 348.354 2.826 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000178539346 289226030 /nfs/dbraw/zinc/22/60/30/289226030.db2.gz DWYCKYSUXWSDNK-AEFFLSMTSA-N 1 3 330.476 2.696 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000178539346 289226032 /nfs/dbraw/zinc/22/60/32/289226032.db2.gz DWYCKYSUXWSDNK-AEFFLSMTSA-N 1 3 330.476 2.696 20 0 EFADHO CN(C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)c1ccccc1 ZINC000264268930 289355045 /nfs/dbraw/zinc/35/50/45/289355045.db2.gz OIFCXMSHGUVXBI-RTBURBONSA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H](CNC(=O)C[C@@H](c1ccccc1)N(C)C)C[NH+]1CCCCC1 ZINC000431754952 289640335 /nfs/dbraw/zinc/64/03/35/289640335.db2.gz BDCBAMSTDWKSNO-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000422719961 289692786 /nfs/dbraw/zinc/69/27/86/289692786.db2.gz RSLQMCIZDHAJGZ-MBPVOVBZSA-N 1 3 327.516 2.944 20 0 EFADHO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc(OCCN(C)C)c1 ZINC000374526854 290056381 /nfs/dbraw/zinc/05/63/81/290056381.db2.gz MCILOAYQZDCVNN-XKGZKEIXSA-N 1 3 348.487 2.616 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000124721737 293001744 /nfs/dbraw/zinc/00/17/44/293001744.db2.gz PALKZCIHORHANF-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1CC[C@@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000124721737 293001745 /nfs/dbraw/zinc/00/17/45/293001745.db2.gz PALKZCIHORHANF-JKSUJKDBSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000125753428 293015677 /nfs/dbraw/zinc/01/56/77/293015677.db2.gz PKORUHHLACUBIL-SJORKVTESA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000128202569 293094916 /nfs/dbraw/zinc/09/49/16/293094916.db2.gz AZDDKAUCNZPENP-ZBFHGGJFSA-N 1 3 329.444 2.671 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000128953118 293119870 /nfs/dbraw/zinc/11/98/70/293119870.db2.gz RKKKGCAVPWOLAK-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)N(C)C)cc1 ZINC000128952934 293120197 /nfs/dbraw/zinc/12/01/97/293120197.db2.gz RKKKGCAVPWOLAK-IEBWSBKVSA-N 1 3 346.519 2.629 20 0 EFADHO COC[C@H](NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000353390036 293148929 /nfs/dbraw/zinc/14/89/29/293148929.db2.gz SRPUIUAJUBHQGZ-ROUUACIJSA-N 1 3 340.895 2.854 20 0 EFADHO COC[C@H](NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1 ZINC000353390036 293148931 /nfs/dbraw/zinc/14/89/31/293148931.db2.gz SRPUIUAJUBHQGZ-ROUUACIJSA-N 1 3 340.895 2.854 20 0 EFADHO CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000130117381 293155046 /nfs/dbraw/zinc/15/50/46/293155046.db2.gz YLLOLDHXBKMHLU-SJORKVTESA-N 1 3 338.540 2.621 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC[C@@H]1CCCN1C ZINC000130286537 293160550 /nfs/dbraw/zinc/16/05/50/293160550.db2.gz LHGQJKUTCVOGEW-OAGGEKHMSA-N 1 3 325.497 2.848 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC[C@@H]1CCCN1C ZINC000130286537 293160551 /nfs/dbraw/zinc/16/05/51/293160551.db2.gz LHGQJKUTCVOGEW-OAGGEKHMSA-N 1 3 325.497 2.848 20 0 EFADHO CCCN1CC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000131097602 293186913 /nfs/dbraw/zinc/18/69/13/293186913.db2.gz NJSWNRJYMJSGSC-QGZVFWFLSA-N 1 3 339.524 2.955 20 0 EFADHO CN(C)CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CCCC1 ZINC000133757666 293267597 /nfs/dbraw/zinc/26/75/97/293267597.db2.gz MCWDYUPNWMGLET-KRWDZBQOSA-N 1 3 340.556 2.869 20 0 EFADHO Cc1nc(COc2ccc(CN3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)cc2)no1 ZINC000422562279 293275248 /nfs/dbraw/zinc/27/52/48/293275248.db2.gz PUIXYXYCHHFOBB-VBQJREDUSA-N 1 3 344.459 2.762 20 0 EFADHO COC(=O)N1CCC([NH2+][C@H](C)c2ccc(OCCN(C)C)cc2)CC1 ZINC000152963959 293354557 /nfs/dbraw/zinc/35/45/57/293354557.db2.gz VMKAZMYMRPQVAB-OAHLLOKOSA-N 1 3 349.475 2.508 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000155529324 293474992 /nfs/dbraw/zinc/47/49/92/293474992.db2.gz QZBRZIWGFJTLHO-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(C(C)(C)O)cc2)C[C@H](C)O1 ZINC000290110848 294002136 /nfs/dbraw/zinc/00/21/36/294002136.db2.gz OFSWHVCVVRNBHW-IRXDYDNUSA-N 1 3 334.504 2.893 20 0 EFADHO C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC000290152665 294012567 /nfs/dbraw/zinc/01/25/67/294012567.db2.gz LJJUQLKUWBDEEF-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290152665 294012568 /nfs/dbraw/zinc/01/25/68/294012568.db2.gz LJJUQLKUWBDEEF-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO C[C@H](CC(=O)N(C)C)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290152665 294012569 /nfs/dbraw/zinc/01/25/69/294012569.db2.gz LJJUQLKUWBDEEF-IEBWSBKVSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000290294861 294049527 /nfs/dbraw/zinc/04/95/27/294049527.db2.gz YGHFBBDCZNZBSR-JQHSSLGASA-N 1 3 349.544 2.710 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000290347796 294063357 /nfs/dbraw/zinc/06/33/57/294063357.db2.gz LPZUNYJLCXSWRM-BPQIPLTHSA-N 1 3 344.455 2.527 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](CNC(=O)C2C[C@H](c3ccccc3)OC2=O)C1 ZINC000290347796 294063360 /nfs/dbraw/zinc/06/33/60/294063360.db2.gz LPZUNYJLCXSWRM-BPQIPLTHSA-N 1 3 344.455 2.527 20 0 EFADHO Cn1cc(C[N@@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2cccnc2)n1 ZINC000290407533 294078846 /nfs/dbraw/zinc/07/88/46/294078846.db2.gz JVZHUEUFFGSJLF-SFHVURJKSA-N 1 3 339.487 2.646 20 0 EFADHO Cn1cc(C[N@H+]2CC[C@H](C3CCN(C)CC3)C2)c(-c2cccnc2)n1 ZINC000290407533 294078849 /nfs/dbraw/zinc/07/88/49/294078849.db2.gz JVZHUEUFFGSJLF-SFHVURJKSA-N 1 3 339.487 2.646 20 0 EFADHO Cc1cc(C[NH2+]C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc(C)c1O ZINC000290499061 294103158 /nfs/dbraw/zinc/10/31/58/294103158.db2.gz WKKAQYVSJOCDCG-RTBURBONSA-N 1 3 332.488 2.867 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000290825566 294196512 /nfs/dbraw/zinc/19/65/12/294196512.db2.gz HKZFIYGQLAQAPD-CRAIPNDOSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1c[nH]c2nccnc12 ZINC000290825566 294196514 /nfs/dbraw/zinc/19/65/14/294196514.db2.gz HKZFIYGQLAQAPD-CRAIPNDOSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000290951331 294229256 /nfs/dbraw/zinc/22/92/56/294229256.db2.gz VDCLLQZSSFJEIU-NVXWUHKLSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H](NCc1c[nH]c2nccnc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290951331 294229258 /nfs/dbraw/zinc/22/92/58/294229258.db2.gz VDCLLQZSSFJEIU-NVXWUHKLSA-N 1 3 335.455 2.958 20 0 EFADHO C[C@@H](NCc1c[nH]c2nccnc12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290951331 294229261 /nfs/dbraw/zinc/22/92/61/294229261.db2.gz VDCLLQZSSFJEIU-NVXWUHKLSA-N 1 3 335.455 2.958 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@H](C)C2)n(C)c1C ZINC000291181964 294301776 /nfs/dbraw/zinc/30/17/76/294301776.db2.gz LBDZSQJWIDZNNX-HNNXBMFYSA-N 1 3 335.492 2.722 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@H](C)C2)n(C)c1C ZINC000291181964 294301780 /nfs/dbraw/zinc/30/17/80/294301780.db2.gz LBDZSQJWIDZNNX-HNNXBMFYSA-N 1 3 335.492 2.722 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCC[C@@H](C)C2)n(C)c1C ZINC000291181971 294302184 /nfs/dbraw/zinc/30/21/84/294302184.db2.gz LBDZSQJWIDZNNX-OAHLLOKOSA-N 1 3 335.492 2.722 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCC[C@@H](C)C2)n(C)c1C ZINC000291181971 294302186 /nfs/dbraw/zinc/30/21/86/294302186.db2.gz LBDZSQJWIDZNNX-OAHLLOKOSA-N 1 3 335.492 2.722 20 0 EFADHO C[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000411415441 297075755 /nfs/dbraw/zinc/07/57/55/297075755.db2.gz NKUAPGLDFRPILX-TTYHFUOFSA-N 1 3 331.479 2.639 20 0 EFADHO C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)CC[C@@H]1N1CCN(C)CC1 ZINC000411415441 297075757 /nfs/dbraw/zinc/07/57/57/297075757.db2.gz NKUAPGLDFRPILX-TTYHFUOFSA-N 1 3 331.479 2.639 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)c(C)n2C)c1 ZINC000291261976 294328887 /nfs/dbraw/zinc/32/88/87/294328887.db2.gz SHIHFXUNXXJTLZ-UHFFFAOYSA-N 1 3 343.471 2.862 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNCc2cc(C(=O)OC)c(C)n2C)c1 ZINC000291261976 294328892 /nfs/dbraw/zinc/32/88/92/294328892.db2.gz SHIHFXUNXXJTLZ-UHFFFAOYSA-N 1 3 343.471 2.862 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@@H+]2CCCC[C@@H]2C)n(C)c1C ZINC000291265306 294330312 /nfs/dbraw/zinc/33/03/12/294330312.db2.gz SQCIFKHCCZQEIW-HNNXBMFYSA-N 1 3 335.492 2.864 20 0 EFADHO COC(=O)c1cc(CNCCCC[N@H+]2CCCC[C@@H]2C)n(C)c1C ZINC000291265306 294330314 /nfs/dbraw/zinc/33/03/14/294330314.db2.gz SQCIFKHCCZQEIW-HNNXBMFYSA-N 1 3 335.492 2.864 20 0 EFADHO O=C(CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCC1 ZINC000291423872 294377225 /nfs/dbraw/zinc/37/72/25/294377225.db2.gz IGBVKTWPARRHJD-UHFFFAOYSA-N 1 3 341.499 2.597 20 0 EFADHO c1cc(N2CCC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC2)ccn1 ZINC000291484282 294393897 /nfs/dbraw/zinc/39/38/97/294393897.db2.gz RPZMPVQBMIKHQW-FUHWJXTLSA-N 1 3 333.501 2.695 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H]1CCN(C2CCN(C)CC2)C1 ZINC000365870937 294482771 /nfs/dbraw/zinc/48/27/71/294482771.db2.gz FHTCEISCBDYPIZ-KPFFTGBYSA-N 1 3 331.504 2.521 20 0 EFADHO CN(C(=O)CC1CC[NH+](C)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000292018854 294553421 /nfs/dbraw/zinc/55/34/21/294553421.db2.gz VFFXPIIZBPBPAB-UHFFFAOYSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000293782579 295048310 /nfs/dbraw/zinc/04/83/10/295048310.db2.gz ZITNLVICTOZRGC-HDICACEKSA-N 1 3 344.547 2.741 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000293881371 295070717 /nfs/dbraw/zinc/07/07/17/295070717.db2.gz UDZISAXHZIFMGO-AHRSYUTCSA-N 1 3 332.463 2.678 20 0 EFADHO O[C@H](Cc1ccc(F)cc1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000293881371 295070721 /nfs/dbraw/zinc/07/07/21/295070721.db2.gz UDZISAXHZIFMGO-AHRSYUTCSA-N 1 3 332.463 2.678 20 0 EFADHO FC(F)(F)CN1CC[C@@H](C[NH2+]C2CCN(c3ccncc3)CC2)C1 ZINC000294149728 295119013 /nfs/dbraw/zinc/11/90/13/295119013.db2.gz HINGTJWJXVMWGG-AWEZNQCLSA-N 1 3 342.409 2.524 20 0 EFADHO c1cc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000294221908 295130750 /nfs/dbraw/zinc/13/07/50/295130750.db2.gz NROYVPOTALCDNN-IPMKNSEASA-N 1 3 327.472 2.988 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294344948 295151161 /nfs/dbraw/zinc/15/11/61/295151161.db2.gz SFQUZBBUCCDZSW-OAHLLOKOSA-N 1 3 331.460 2.619 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCc2ccc3c(c2)NC(=O)CO3)C1 ZINC000294344948 295151164 /nfs/dbraw/zinc/15/11/64/295151164.db2.gz SFQUZBBUCCDZSW-OAHLLOKOSA-N 1 3 331.460 2.619 20 0 EFADHO C[C@H](NC[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294611769 295194419 /nfs/dbraw/zinc/19/44/19/295194419.db2.gz OEYBDTBKGXOPAR-XAUMDUMWSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H](NC[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000294611769 295194420 /nfs/dbraw/zinc/19/44/20/295194420.db2.gz OEYBDTBKGXOPAR-XAUMDUMWSA-N 1 3 334.479 2.972 20 0 EFADHO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000294611769 295194422 /nfs/dbraw/zinc/19/44/22/295194422.db2.gz OEYBDTBKGXOPAR-XAUMDUMWSA-N 1 3 334.479 2.972 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN(C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309428 295212117 /nfs/dbraw/zinc/21/21/17/295212117.db2.gz TWHPPVSMSVUOHN-ICSRJNTNSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309428 295212119 /nfs/dbraw/zinc/21/21/19/295212119.db2.gz TWHPPVSMSVUOHN-ICSRJNTNSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000420309428 295212121 /nfs/dbraw/zinc/21/21/21/295212121.db2.gz TWHPPVSMSVUOHN-ICSRJNTNSA-N 1 3 328.456 2.793 20 0 EFADHO COc1ccc([C@H](C[NH2+][C@H]2CCCCC[C@H]2N)N(C)C)cc1OC ZINC000422989481 295241907 /nfs/dbraw/zinc/24/19/07/295241907.db2.gz LXMOVICMEXVIQY-IKGGRYGDSA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](CN[C@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1OC ZINC000422989481 295241908 /nfs/dbraw/zinc/24/19/08/295241908.db2.gz LXMOVICMEXVIQY-IKGGRYGDSA-N 1 3 335.492 2.556 20 0 EFADHO COc1ccc([C@H](NC(=O)CN2CCC[C@@H](CC[NH3+])C2)C(C)C)cc1 ZINC000443058443 295243000 /nfs/dbraw/zinc/24/30/00/295243000.db2.gz ADXNIUGMKRRFMU-OXJNMPFZSA-N 1 3 347.503 2.569 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295120645 295270608 /nfs/dbraw/zinc/27/06/08/295270608.db2.gz XIPNFSFOAKYJLF-SJLPKXTDSA-N 1 3 335.467 2.624 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295120646 295270622 /nfs/dbraw/zinc/27/06/22/295270622.db2.gz XIPNFSFOAKYJLF-WMZOPIPTSA-N 1 3 335.467 2.624 20 0 EFADHO COC(=O)COc1c(C)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1C ZINC000295133371 295272352 /nfs/dbraw/zinc/27/23/52/295272352.db2.gz YTCDOIVWUUMWQR-AYHJJNSGSA-N 1 3 346.471 2.570 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295179029 295278756 /nfs/dbraw/zinc/27/87/56/295278756.db2.gz MKRQZMZQMKNQGX-TXPKVOOTSA-N 1 3 329.488 2.638 20 0 EFADHO C[C@H](NC1CC1)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000295179029 295278757 /nfs/dbraw/zinc/27/87/57/295278757.db2.gz MKRQZMZQMKNQGX-TXPKVOOTSA-N 1 3 329.488 2.638 20 0 EFADHO Cc1cc(NC(=O)[C@@H](C)NC2CC2)ccc1OCC[NH+]1CCCC1 ZINC000295215749 295283459 /nfs/dbraw/zinc/28/34/59/295283459.db2.gz QMVDBLYEPQUZRY-OAHLLOKOSA-N 1 3 331.460 2.549 20 0 EFADHO C[C@H](NC1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295297312 295295583 /nfs/dbraw/zinc/29/55/83/295295583.db2.gz XJDWHMMYMHRVKE-INIZCTEOSA-N 1 3 329.488 2.819 20 0 EFADHO CCCC[N@H+](C)CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295314711 295299155 /nfs/dbraw/zinc/29/91/55/295299155.db2.gz KXSIGDUQRGKHHT-UHFFFAOYSA-N 1 3 345.487 2.961 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295314711 295299157 /nfs/dbraw/zinc/29/91/57/295299157.db2.gz KXSIGDUQRGKHHT-UHFFFAOYSA-N 1 3 345.487 2.961 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000295702894 295363430 /nfs/dbraw/zinc/36/34/30/295363430.db2.gz FKGIZTOYXKYXQM-HXUWFJFHSA-N 1 3 330.520 2.677 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H](c3ccncc3)C2)CC1 ZINC000295702894 295363432 /nfs/dbraw/zinc/36/34/32/295363432.db2.gz FKGIZTOYXKYXQM-HXUWFJFHSA-N 1 3 330.520 2.677 20 0 EFADHO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CC1(O)CCN(C)CC1 ZINC000295838295 295383487 /nfs/dbraw/zinc/38/34/87/295383487.db2.gz VTDBPJDSIQSUJK-LBPRGKRZSA-N 1 3 347.286 2.807 20 0 EFADHO CC[C@H](C)[NH+]1CCN(CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000295933754 295399008 /nfs/dbraw/zinc/39/90/08/295399008.db2.gz GCUXWWVCMPOTBR-FQEVSTJZSA-N 1 3 344.547 2.615 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000350895596 298268787 /nfs/dbraw/zinc/26/87/87/298268787.db2.gz FKISTUHTYTYFQR-APWZRJJASA-N 1 3 346.519 2.661 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)N2CCCC2)cc1 ZINC000342699861 301795638 /nfs/dbraw/zinc/79/56/38/301795638.db2.gz WECZSUHGGNLSTO-QRQLOZEOSA-N 1 3 329.488 2.636 20 0 EFADHO Cc1ccc2c(c1)[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](C)C2 ZINC000423402511 301910151 /nfs/dbraw/zinc/91/01/51/301910151.db2.gz YFKSIZLXDVHZGH-KBRIMQKVSA-N 1 3 341.421 2.654 20 0 EFADHO Cc1cccc(C)c1OCCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422951389 301977086 /nfs/dbraw/zinc/97/70/86/301977086.db2.gz YJZYJOZSEDGPSZ-GUDVDZBRSA-N 1 3 332.488 2.819 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C12CCC[NH+]1CCC2)N(C)C ZINC000356282177 302200269 /nfs/dbraw/zinc/20/02/69/302200269.db2.gz PIYGLUFMMXXNTK-AEFFLSMTSA-N 1 3 329.488 2.731 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000414758112 303366569 /nfs/dbraw/zinc/36/65/69/303366569.db2.gz BXVGHCWQJOTSRI-FFGOWVMKSA-N 1 3 341.499 2.594 20 0 EFADHO NCC(=O)N1CCC[C@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)C1 ZINC000414758112 303366572 /nfs/dbraw/zinc/36/65/72/303366572.db2.gz BXVGHCWQJOTSRI-FFGOWVMKSA-N 1 3 341.499 2.594 20 0 EFADHO NCCC[N@H+](CCC(=O)N1CCc2sccc2C1)CC1CCCC1 ZINC000352478716 303377204 /nfs/dbraw/zinc/37/72/04/303377204.db2.gz ZPLQLEANAYJECK-UHFFFAOYSA-N 1 3 349.544 2.864 20 0 EFADHO NCCC[N@@H+](CCC(=O)N1CCc2sccc2C1)CC1CCCC1 ZINC000352478716 303377206 /nfs/dbraw/zinc/37/72/06/303377206.db2.gz ZPLQLEANAYJECK-UHFFFAOYSA-N 1 3 349.544 2.864 20 0 EFADHO [NH3+]CCCN(CCC(=O)N1CCc2sccc2C1)CC1CCCC1 ZINC000352478716 303377208 /nfs/dbraw/zinc/37/72/08/303377208.db2.gz ZPLQLEANAYJECK-UHFFFAOYSA-N 1 3 349.544 2.864 20 0 EFADHO Cc1cc(NC(=O)CC[NH2+]C(C)C)ccc1OCCN1CCCC1 ZINC000169091117 310734859 /nfs/dbraw/zinc/73/48/59/310734859.db2.gz YIUCGUZIGBSFKB-UHFFFAOYSA-N 1 3 333.476 2.796 20 0 EFADHO CCOC(=O)CCC[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177491015 310775525 /nfs/dbraw/zinc/77/55/25/310775525.db2.gz DBLHRZKANPQNBS-IAGOWNOFSA-N 1 3 340.508 2.541 20 0 EFADHO COCC[NH+]1CCC(Nc2ccnc3cc(OC)c(OC)cc32)CC1 ZINC000298343393 310980342 /nfs/dbraw/zinc/98/03/42/310980342.db2.gz SJHPBBDTKLDTEZ-UHFFFAOYSA-N 1 3 345.443 2.775 20 0 EFADHO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCN(C4CC4)CC3)c2)CCO1 ZINC000298565949 311004177 /nfs/dbraw/zinc/00/41/77/311004177.db2.gz WPHXOWZDUNGQHO-QGZVFWFLSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@@H]1CN(Cc2cccc(CNC3CC[NH+](C4CC4)CC3)c2)CCO1 ZINC000298565949 311004179 /nfs/dbraw/zinc/00/41/79/311004179.db2.gz WPHXOWZDUNGQHO-QGZVFWFLSA-N 1 3 343.515 2.624 20 0 EFADHO CC[C@H](C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000298642613 311010261 /nfs/dbraw/zinc/01/02/61/311010261.db2.gz RMAPAFDXCLBHDS-XYJFISCASA-N 1 3 331.504 2.599 20 0 EFADHO CCCC[N@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000298735640 311019140 /nfs/dbraw/zinc/01/91/40/311019140.db2.gz VKAMKBJJJDHFTF-LJQANCHMSA-N 1 3 334.504 2.870 20 0 EFADHO CCCC[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000298735640 311019141 /nfs/dbraw/zinc/01/91/41/311019141.db2.gz VKAMKBJJJDHFTF-LJQANCHMSA-N 1 3 334.504 2.870 20 0 EFADHO COC1CCN(Cc2ccccc2C[NH+]2CCC(OC)CC2)CC1 ZINC000298839943 311027579 /nfs/dbraw/zinc/02/75/79/311027579.db2.gz AJMNRBBCVNFZKM-UHFFFAOYSA-N 1 3 332.488 2.908 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)NC[C@H]1CCCN1C ZINC000299238973 311064334 /nfs/dbraw/zinc/06/43/34/311064334.db2.gz JFLPYKFJRCPZRZ-MRXNPFEDSA-N 1 3 348.491 2.623 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccsc1 ZINC000299373153 311077984 /nfs/dbraw/zinc/07/79/84/311077984.db2.gz MYHGTACSYJJHBM-GDBMZVCRSA-N 1 3 340.537 2.770 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416447 311082693 /nfs/dbraw/zinc/08/26/93/311082693.db2.gz UDDBFRMZDDEJJA-MISYRCLQSA-N 1 3 334.504 2.837 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCC[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000299416447 311082694 /nfs/dbraw/zinc/08/26/94/311082694.db2.gz UDDBFRMZDDEJJA-MISYRCLQSA-N 1 3 334.504 2.837 20 0 EFADHO CC(C)c1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000299587861 311099901 /nfs/dbraw/zinc/09/99/01/311099901.db2.gz JUDOQVPVAXCUSY-UHFFFAOYSA-N 1 3 331.504 2.700 20 0 EFADHO C[NH+]1CCC(N2CCC(Nc3cc(Cl)nc(C4CC4)n3)CC2)CC1 ZINC000301958495 311168861 /nfs/dbraw/zinc/16/88/61/311168861.db2.gz GNFVQMPQMFATBN-UHFFFAOYSA-N 1 3 349.910 2.978 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000310419101 311229524 /nfs/dbraw/zinc/22/95/24/311229524.db2.gz NRKVZAMCWMTTNX-PKOBYXMFSA-N 1 3 329.488 2.675 20 0 EFADHO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CNCc2ccccc21 ZINC000311134177 311229777 /nfs/dbraw/zinc/22/97/77/311229777.db2.gz JHZPTGMYKPQCCB-NRFANRHFSA-N 1 3 349.478 2.654 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CNCc3ccccc32)([NH+](C)C)C1 ZINC000325685958 311243281 /nfs/dbraw/zinc/24/32/81/311243281.db2.gz ODISOWHWTHBTRI-BPAFIMBUSA-N 1 3 329.488 2.500 20 0 EFADHO [NH3+][C@H]1CCO[C@H](C2CCN(Cc3ccc4ncccc4c3)CC2)C1 ZINC000333106195 311568428 /nfs/dbraw/zinc/56/84/28/311568428.db2.gz FRSPQHRROFJSCJ-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000333107869 311568826 /nfs/dbraw/zinc/56/88/26/311568826.db2.gz FXRKDOHVHLGLMW-QUCCMNQESA-N 1 3 325.456 2.953 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000333207450 311582985 /nfs/dbraw/zinc/58/29/85/311582985.db2.gz ZCOXWLPAIHJAOV-ICSRJNTNSA-N 1 3 325.456 2.953 20 0 EFADHO Cc1nn(C(C)(C)C)c(C)c1CN1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333210481 311583683 /nfs/dbraw/zinc/58/36/83/311583683.db2.gz ZPCUISGCDWMWRR-HKUYNNGSSA-N 1 3 348.535 2.973 20 0 EFADHO CC1CC[NH+](C2CCC(NC(=O)Nc3ncccc3CN)CC2)CC1 ZINC000333368986 311605056 /nfs/dbraw/zinc/60/50/56/311605056.db2.gz UTQQDCCPNAOKEU-UHFFFAOYSA-N 1 3 345.491 2.705 20 0 EFADHO Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCCN3)CC2)n[nH]1 ZINC000333825385 311664303 /nfs/dbraw/zinc/66/43/03/311664303.db2.gz LNDFJLHETLAMQV-OKZBNKHCSA-N 1 3 331.508 2.587 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)[C@H](C)c2ccccc2)CC1 ZINC000411497325 311979049 /nfs/dbraw/zinc/97/90/49/311979049.db2.gz YXSIFNUSHNBDSU-IRXDYDNUSA-N 1 3 331.504 2.757 20 0 EFADHO C[C@H](CN1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414774775 312052328 /nfs/dbraw/zinc/05/23/28/312052328.db2.gz UVYLUQXNNOXEGU-PBHICJAKSA-N 1 3 341.421 2.788 20 0 EFADHO Fc1ccc(-n2cc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000414775714 312052743 /nfs/dbraw/zinc/05/27/43/312052743.db2.gz GNANXDGKRPJVDY-DLBZAZTESA-N 1 3 328.435 2.833 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CCCNC2)CC1 ZINC000414822904 312054056 /nfs/dbraw/zinc/05/40/56/312054056.db2.gz CYBUMQLOPFHCLR-AWEZNQCLSA-N 1 3 335.879 2.534 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)NC[C@H]1CCC[NH2+]C1 ZINC000414835306 312056234 /nfs/dbraw/zinc/05/62/34/312056234.db2.gz SYJQNDUBGJVPOE-ZBFHGGJFSA-N 1 3 337.895 2.666 20 0 EFADHO C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCNC1 ZINC000414835306 312056236 /nfs/dbraw/zinc/05/62/36/312056236.db2.gz SYJQNDUBGJVPOE-ZBFHGGJFSA-N 1 3 337.895 2.666 20 0 EFADHO C[NH2+]C[C@H](C)CN[C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000414836459 312056341 /nfs/dbraw/zinc/05/63/41/312056341.db2.gz JIVVWOYJMCGGME-KBPBESRZSA-N 1 3 325.884 2.522 20 0 EFADHO C[NH2+]C[C@@H](C)CN[C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000414839265 312056885 /nfs/dbraw/zinc/05/68/85/312056885.db2.gz MCJVZRCREXWWED-ZIAGYGMSSA-N 1 3 325.884 2.522 20 0 EFADHO COc1cccc(NC(=O)C[C@H](C)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414853136 312058221 /nfs/dbraw/zinc/05/82/21/312058221.db2.gz RWWGOZZZNAJNSB-KSSFIOAISA-N 1 3 333.476 2.910 20 0 EFADHO COc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000414936944 312066928 /nfs/dbraw/zinc/06/69/28/312066928.db2.gz ZOZOMKFSPLWPEU-QWHCGFSZSA-N 1 3 332.366 2.996 20 0 EFADHO COc1cc(Br)c(CNCCC[C@@H]2CCC[NH2+]2)cc1O ZINC000414976413 312070127 /nfs/dbraw/zinc/07/01/27/312070127.db2.gz PXGPXMWZVCBZQK-GFCCVEGCSA-N 1 3 343.265 2.785 20 0 EFADHO COCC1(CNCc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]CC1 ZINC000414979798 312070583 /nfs/dbraw/zinc/07/05/83/312070583.db2.gz VMICLUUSBFIUDI-UHFFFAOYSA-N 1 3 348.878 2.632 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000414993331 312072823 /nfs/dbraw/zinc/07/28/23/312072823.db2.gz CMOYMOZFCTYLDL-VXGBXAGGSA-N 1 3 337.830 2.667 20 0 EFADHO Cc1cc(C)c(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)c1 ZINC000414993962 312073547 /nfs/dbraw/zinc/07/35/47/312073547.db2.gz VBOBWPDSXPZTIH-INIZCTEOSA-N 1 3 329.410 2.538 20 0 EFADHO CCSc1cccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414997032 312074003 /nfs/dbraw/zinc/07/40/03/312074003.db2.gz YBKKWKFXYLRZMF-OAHLLOKOSA-N 1 3 347.450 2.724 20 0 EFADHO C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414997225 312074302 /nfs/dbraw/zinc/07/43/02/312074302.db2.gz YJHYNAQLUJVZOZ-SWLSCSKDSA-N 1 3 349.828 2.697 20 0 EFADHO [NH3+][C@H]1CCC[C@H](CNCc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000415000112 312074846 /nfs/dbraw/zinc/07/48/46/312074846.db2.gz JZDYOCIUXBLOMC-AAEUAGOBSA-N 1 3 337.830 2.667 20 0 EFADHO COc1ccc(Br)cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415002510 312075288 /nfs/dbraw/zinc/07/52/88/312075288.db2.gz DSTIVKJSUPWELT-LSDHHAIUSA-N 1 3 339.277 2.935 20 0 EFADHO COc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c(SC)cc1OC ZINC000415003876 312075576 /nfs/dbraw/zinc/07/55/76/312075576.db2.gz GPHNOZFNZDHHNO-LSDHHAIUSA-N 1 3 336.501 2.903 20 0 EFADHO CSc1cc2c(cc1CN[C@@H]1C[C@H]1C1CC[NH2+]CC1)OCCO2 ZINC000415003220 312075647 /nfs/dbraw/zinc/07/56/47/312075647.db2.gz FNVSHLUGXYPPAQ-LSDHHAIUSA-N 1 3 334.485 2.657 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](CNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415005026 312075964 /nfs/dbraw/zinc/07/59/64/312075964.db2.gz YSNWFENROUMDHL-ZYHUDNBSSA-N 1 3 328.359 2.624 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](CNCc2cc3c(cc2OC(F)F)OCO3)C1 ZINC000415005020 312076198 /nfs/dbraw/zinc/07/61/98/312076198.db2.gz YSNWFENROUMDHL-CMPLNLGQSA-N 1 3 328.359 2.624 20 0 EFADHO [NH3+]C[C@@H]1CC[C@H](NCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000415035127 312080540 /nfs/dbraw/zinc/08/05/40/312080540.db2.gz KNXXJRSISHKZFL-YPMHNXCESA-N 1 3 331.441 2.756 20 0 EFADHO C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415044656 312082558 /nfs/dbraw/zinc/08/25/58/312082558.db2.gz ATTWAZUOYYOOSS-APWZRJJASA-N 1 3 346.496 2.919 20 0 EFADHO C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415044657 312082578 /nfs/dbraw/zinc/08/25/78/312082578.db2.gz ATTWAZUOYYOOSS-LPHOPBHVSA-N 1 3 346.496 2.919 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH2+]C1CC1 ZINC000415070537 312087450 /nfs/dbraw/zinc/08/74/50/312087450.db2.gz QVPLNUUPHUKCQH-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCNC1CC1 ZINC000415070537 312087453 /nfs/dbraw/zinc/08/74/53/312087453.db2.gz QVPLNUUPHUKCQH-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)NCCC[NH2+]C1CC1 ZINC000415070576 312088021 /nfs/dbraw/zinc/08/80/21/312088021.db2.gz RBZDJGDXNZSNMD-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCNC1CC1 ZINC000415070576 312088022 /nfs/dbraw/zinc/08/80/22/312088022.db2.gz RBZDJGDXNZSNMD-AWEZNQCLSA-N 1 3 337.895 2.809 20 0 EFADHO COc1ccc(CCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1OC ZINC000415076032 312088784 /nfs/dbraw/zinc/08/87/84/312088784.db2.gz CENRIUBRQBVQTC-BBWFWOEESA-N 1 3 348.487 2.765 20 0 EFADHO COc1ccc([C@@H](CNC[C@H]2CCC[NH2+]C2)N2CCCCC2)cc1 ZINC000415079290 312089179 /nfs/dbraw/zinc/08/91/79/312089179.db2.gz HUHCMPMWAWPMPH-FXAWDEMLSA-N 1 3 331.504 2.811 20 0 EFADHO NCC(=O)N1CCC[C@@H](C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000415081381 312089865 /nfs/dbraw/zinc/08/98/65/312089865.db2.gz MVGDTBBCXBFXTE-HNNXBMFYSA-N 1 3 349.906 2.549 20 0 EFADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415083868 312090431 /nfs/dbraw/zinc/09/04/31/312090431.db2.gz FXJYYCZHZHUUCK-INDMIFKZSA-N 1 3 333.520 2.678 20 0 EFADHO O=C(C1CCCCC1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415083867 312090554 /nfs/dbraw/zinc/09/05/54/312090554.db2.gz FXJYYCZHZHUUCK-CADBVGFASA-N 1 3 333.520 2.678 20 0 EFADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000415086116 312090750 /nfs/dbraw/zinc/09/07/50/312090750.db2.gz RFDGWOISYVUXGI-IAGOWNOFSA-N 1 3 331.504 2.530 20 0 EFADHO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000415086121 312090777 /nfs/dbraw/zinc/09/07/77/312090777.db2.gz RFDGWOISYVUXGI-SJORKVTESA-N 1 3 331.504 2.530 20 0 EFADHO CCCCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415100272 312093732 /nfs/dbraw/zinc/09/37/32/312093732.db2.gz AAMCQIVGEWLWBQ-GOSISDBHSA-N 1 3 343.475 2.753 20 0 EFADHO C[C@@H](C[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000415108374 312095561 /nfs/dbraw/zinc/09/55/61/312095561.db2.gz QAWAIWZWMQSLSA-JONQDZQNSA-N 1 3 325.497 2.781 20 0 EFADHO COC(=O)[C@](C)(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110786 312095826 /nfs/dbraw/zinc/09/58/26/312095826.db2.gz SVPWRAXSDJENNT-JRBPQWBISA-N 1 3 330.472 2.628 20 0 EFADHO COC(=O)[C@](C)(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000415110789 312095985 /nfs/dbraw/zinc/09/59/85/312095985.db2.gz SVPWRAXSDJENNT-PNYFIKQUSA-N 1 3 330.472 2.628 20 0 EFADHO CCSc1cccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415128096 312099064 /nfs/dbraw/zinc/09/90/64/312099064.db2.gz NVAOXCGHPWGAIW-INIZCTEOSA-N 1 3 331.489 2.686 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000415137576 312101419 /nfs/dbraw/zinc/10/14/19/312101419.db2.gz FQCMADLHXGBMJZ-UHFFFAOYSA-N 1 3 330.403 2.904 20 0 EFADHO [NH3+]CC1(O)CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000415137581 312101448 /nfs/dbraw/zinc/10/14/48/312101448.db2.gz FSKYOGLQOIBRAI-UHFFFAOYSA-N 1 3 344.430 2.690 20 0 EFADHO COc1ccsc1CNCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000415137876 312101467 /nfs/dbraw/zinc/10/14/67/312101467.db2.gz UIWUBOOUBVGMMM-UHFFFAOYSA-N 1 3 345.512 2.840 20 0 EFADHO Cc1ccc(COc2ccc(CN3CCC(O)(C[NH3+])CC3)cc2)cc1 ZINC000415143142 312102961 /nfs/dbraw/zinc/10/29/61/312102961.db2.gz RPFCNLQRPFMESQ-UHFFFAOYSA-N 1 3 340.467 2.860 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000415879382 312178872 /nfs/dbraw/zinc/17/88/72/312178872.db2.gz BDXXMACEJNYVHH-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000415879382 312178875 /nfs/dbraw/zinc/17/88/75/312178875.db2.gz BDXXMACEJNYVHH-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415885276 312179061 /nfs/dbraw/zinc/17/90/61/312179061.db2.gz RWBGQHPUCABVSZ-MRXNPFEDSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415885276 312179064 /nfs/dbraw/zinc/17/90/64/312179064.db2.gz RWBGQHPUCABVSZ-MRXNPFEDSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415885271 312179296 /nfs/dbraw/zinc/17/92/96/312179296.db2.gz RWBGQHPUCABVSZ-INIZCTEOSA-N 1 3 344.503 2.966 20 0 EFADHO C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CNCC3)C1 ZINC000415885271 312179298 /nfs/dbraw/zinc/17/92/98/312179298.db2.gz RWBGQHPUCABVSZ-INIZCTEOSA-N 1 3 344.503 2.966 20 0 EFADHO CCC(CC)[C@H](CNC(=O)Nc1ccc2c(c1)CNCC2)[NH+](C)C ZINC000415887688 312179716 /nfs/dbraw/zinc/17/97/16/312179716.db2.gz XWNAKFBRVZVRLG-SFHVURJKSA-N 1 3 332.492 2.820 20 0 EFADHO CC[C@@H](C)N[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)c1ccco1 ZINC000415944992 312182967 /nfs/dbraw/zinc/18/29/67/312182967.db2.gz BQHUFQSAEGFOPY-CZUORRHYSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415949463 312183864 /nfs/dbraw/zinc/18/38/64/312183864.db2.gz BXWXUILUKOBZLD-DYVFJYSZSA-N 1 3 346.450 2.562 20 0 EFADHO [NH3+]CCOc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000415951369 312184002 /nfs/dbraw/zinc/18/40/02/312184002.db2.gz YYEXZCICHRZOPA-UHFFFAOYSA-N 1 3 346.475 2.506 20 0 EFADHO C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H](c1ccccc1)N(C)C ZINC000415957954 312184791 /nfs/dbraw/zinc/18/47/91/312184791.db2.gz NDLDORXWEPFMEP-KDOFPFPSSA-N 1 3 326.444 2.958 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415955022 312184845 /nfs/dbraw/zinc/18/48/45/312184845.db2.gz IZQIZIZHVZHRTI-HNAYVOBHSA-N 1 3 338.455 2.787 20 0 EFADHO C[C@H]1[C@@H](NC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCCN1C ZINC000415957403 312185118 /nfs/dbraw/zinc/18/51/18/312185118.db2.gz UNGZPZVIOKGXCI-HZMBPMFUSA-N 1 3 344.381 2.768 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415970440 312187694 /nfs/dbraw/zinc/18/76/94/312187694.db2.gz LKKXDNDNYBIHGO-UHFFFAOYSA-N 1 3 346.397 2.970 20 0 EFADHO C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)N(C)Cc1ccccc1 ZINC000415972681 312188215 /nfs/dbraw/zinc/18/82/15/312188215.db2.gz INPSYMVQKWAKKQ-HNNXBMFYSA-N 1 3 326.444 2.787 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415973073 312188356 /nfs/dbraw/zinc/18/83/56/312188356.db2.gz PYRKDVFFZHRNTF-UHFFFAOYSA-N 1 3 332.370 2.626 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)Nc1cc(CN)cc(C(F)(F)F)c1 ZINC000415973073 312188358 /nfs/dbraw/zinc/18/83/58/312188358.db2.gz PYRKDVFFZHRNTF-UHFFFAOYSA-N 1 3 332.370 2.626 20 0 EFADHO C[NH2+]Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1 ZINC000415976137 312188622 /nfs/dbraw/zinc/18/86/22/312188622.db2.gz VORFFPFODNFLGL-UHFFFAOYSA-N 1 3 332.492 2.992 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000417312438 312207448 /nfs/dbraw/zinc/20/74/48/312207448.db2.gz NRSOJPYGLRQPGO-LJQANCHMSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)N(C)C)cc1 ZINC000417316193 312208195 /nfs/dbraw/zinc/20/81/95/312208195.db2.gz UAQYFPXWLPKTOF-QZTJIDSGSA-N 1 3 334.508 2.613 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)N2CCCC2)cc1 ZINC000417354504 312213278 /nfs/dbraw/zinc/21/32/78/312213278.db2.gz LZWSNMUSTHANMT-RTBURBONSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(OCCN(C)C)c1 ZINC000417376903 312216025 /nfs/dbraw/zinc/21/60/25/312216025.db2.gz CQMXQIXFEWVBQX-HOCLYGCPSA-N 1 3 341.446 2.617 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc(OCCN(C)C)cc1 ZINC000417393732 312217211 /nfs/dbraw/zinc/21/72/11/312217211.db2.gz UXEMGOWNWHTIPT-HOCLYGCPSA-N 1 3 341.446 2.617 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000417535748 312235851 /nfs/dbraw/zinc/23/58/51/312235851.db2.gz AYUAMJYQUCGQHV-VQIMIIECSA-N 1 3 346.519 2.668 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000417535748 312235852 /nfs/dbraw/zinc/23/58/52/312235852.db2.gz AYUAMJYQUCGQHV-VQIMIIECSA-N 1 3 346.519 2.668 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000417553823 312239045 /nfs/dbraw/zinc/23/90/45/312239045.db2.gz VLMZBBXJRJREBC-KBXCAEBGSA-N 1 3 332.492 2.592 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000417553823 312239048 /nfs/dbraw/zinc/23/90/48/312239048.db2.gz VLMZBBXJRJREBC-KBXCAEBGSA-N 1 3 332.492 2.592 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[N@H+](C)C1CC1 ZINC000417555981 312239121 /nfs/dbraw/zinc/23/91/21/312239121.db2.gz ZIEBRVCSYZCVSC-IFXJQAMLSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@@H](CNC(=O)N[C@H](CN)c1ccc2ccccc2c1)[N@@H+](C)C1CC1 ZINC000417555981 312239122 /nfs/dbraw/zinc/23/91/22/312239122.db2.gz ZIEBRVCSYZCVSC-IFXJQAMLSA-N 1 3 340.471 2.622 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000417619531 312248578 /nfs/dbraw/zinc/24/85/78/312248578.db2.gz FFMFXQLIMPSKKR-DLBZAZTESA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417625203 312248998 /nfs/dbraw/zinc/24/89/98/312248998.db2.gz LNYZVWKPSBRSMQ-UXLLHSPISA-N 1 3 332.492 2.542 20 0 EFADHO CCCN(C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000417629435 312249523 /nfs/dbraw/zinc/24/95/23/312249523.db2.gz QEQUVLBLUVNIRG-FUHWJXTLSA-N 1 3 346.519 2.899 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417630450 312249590 /nfs/dbraw/zinc/24/95/90/312249590.db2.gz RADHJTJWMVUQEZ-BQFCYCMXSA-N 1 3 346.519 2.742 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000417684804 312256512 /nfs/dbraw/zinc/25/65/12/312256512.db2.gz XNLDFEXWRBAQTQ-MSOLQXFVSA-N 1 3 348.535 2.914 20 0 EFADHO C[C@@H](CCC[NH3+])NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000417688718 312257386 /nfs/dbraw/zinc/25/73/86/312257386.db2.gz JEAVRSQWTIBSNE-HOTGVXAUSA-N 1 3 332.492 2.639 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417690835 312257616 /nfs/dbraw/zinc/25/76/16/312257616.db2.gz MCARVCYLYFUVKK-INIZCTEOSA-N 1 3 344.503 2.653 20 0 EFADHO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)NC[C@H]2C)CC1 ZINC000417691869 312257765 /nfs/dbraw/zinc/25/77/65/312257765.db2.gz NLYPUDMTZZBGRU-ZACQAIPSSA-N 1 3 344.503 2.604 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000417695947 312258442 /nfs/dbraw/zinc/25/84/42/312258442.db2.gz UYKQNCZIHAOJLG-JTDSTZFVSA-N 1 3 344.503 2.591 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000417699111 312258718 /nfs/dbraw/zinc/25/87/18/312258718.db2.gz YUHYENMPNXRPGM-VQIMIIECSA-N 1 3 346.519 2.885 20 0 EFADHO CCn1cncc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417813679 312273616 /nfs/dbraw/zinc/27/36/16/312273616.db2.gz PYKNJAYAOZJUQQ-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO CC(C)(C(=O)N1CCC2(CC[NH2+]CC2)CC1)[C@@H](N)c1ccccc1 ZINC000417823760 312275992 /nfs/dbraw/zinc/27/59/92/312275992.db2.gz KCIMUUNCEFALKY-KRWDZBQOSA-N 1 3 329.488 2.705 20 0 EFADHO CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000417826724 312276818 /nfs/dbraw/zinc/27/68/18/312276818.db2.gz CNERSVCJTKNVJP-YTQUADARSA-N 1 3 346.519 2.856 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH3+])CC2)CCN1Cc1ccccc1 ZINC000417848563 312281057 /nfs/dbraw/zinc/28/10/57/312281057.db2.gz VOTLKDXGYHJJKW-HJZRJOMTSA-N 1 3 344.503 2.609 20 0 EFADHO CCCN(C(=O)N[C@H](C)CN(C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417980915 312304623 /nfs/dbraw/zinc/30/46/23/312304623.db2.gz LEWSKBUWXCVVOM-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000417981047 312304928 /nfs/dbraw/zinc/30/49/28/312304928.db2.gz LJRNNKKOOLXOAA-SJLPKXTDSA-N 1 3 334.508 2.522 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCCN1C ZINC000418011327 312309017 /nfs/dbraw/zinc/30/90/17/312309017.db2.gz WUGJNWZYUFYTLV-MDASCCDHSA-N 1 3 340.471 2.622 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418023246 312310887 /nfs/dbraw/zinc/31/08/87/312310887.db2.gz BJTGPMZENSZYRO-QRQLOZEOSA-N 1 3 346.519 2.583 20 0 EFADHO CCC[NH2+]CCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000418156915 312336316 /nfs/dbraw/zinc/33/63/16/312336316.db2.gz NXSWKJOQOWPHKX-SFHVURJKSA-N 1 3 346.519 2.586 20 0 EFADHO Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH3+])CCCCC1)N(C)C ZINC000418159629 312336681 /nfs/dbraw/zinc/33/66/81/312336681.db2.gz AMTLEEUBZFUCBF-FUHWJXTLSA-N 1 3 346.519 2.947 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC1(C)CC[NH2+]CC1)N(C)C ZINC000418162176 312337510 /nfs/dbraw/zinc/33/75/10/312337510.db2.gz CFCTVHKNNYPTNR-WMZOPIPTSA-N 1 3 346.519 2.675 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCC1([NH3+])CCCCC1)c1ccco1 ZINC000418161884 312337580 /nfs/dbraw/zinc/33/75/80/312337580.db2.gz FKFIBTJUSHLIFP-CABCVRRESA-N 1 3 336.480 2.670 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccco1 ZINC000418171063 312339282 /nfs/dbraw/zinc/33/92/82/312339282.db2.gz UFUSKZUOMWEAFJ-CAOSSQGBSA-N 1 3 336.480 2.526 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000418171998 312339613 /nfs/dbraw/zinc/33/96/13/312339613.db2.gz WBHXJOHVBZSDEY-JYJNAYRXSA-N 1 3 336.480 2.540 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H](c1ccccc1)N(C)C ZINC000418186531 312342520 /nfs/dbraw/zinc/34/25/20/312342520.db2.gz SCGKBOCOFJQCIZ-LSTDLKDCSA-N 1 3 346.519 2.742 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+])N(C)C ZINC000418187604 312342865 /nfs/dbraw/zinc/34/28/65/312342865.db2.gz SUVXVZSOUDSPJU-RMRDIRSESA-N 1 3 346.519 2.755 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NCC[NH2+]CC)c1ccc(Cl)cc1 ZINC000418189444 312343199 /nfs/dbraw/zinc/34/31/99/312343199.db2.gz VMONHBAYWNJVFW-INIZCTEOSA-N 1 3 340.899 2.632 20 0 EFADHO CCCN(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])CC)c1ccc(Cl)cc1 ZINC000418192015 312343872 /nfs/dbraw/zinc/34/38/72/312343872.db2.gz YBELRDHUVWRMRZ-HOTGVXAUSA-N 1 3 340.899 2.759 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)N(C)C)cc1 ZINC000418191656 312343886 /nfs/dbraw/zinc/34/38/86/312343886.db2.gz LCLZGPRQXWZGRZ-RTBURBONSA-N 1 3 346.519 2.524 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CC2)N(C)C)cc1 ZINC000418191650 312343926 /nfs/dbraw/zinc/34/39/26/312343926.db2.gz LCLZGPRQXWZGRZ-MOPGFXCFSA-N 1 3 346.519 2.524 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])N(C)C)cc1 ZINC000418195360 312345013 /nfs/dbraw/zinc/34/50/13/312345013.db2.gz PSGMQSFUWGLQSX-CRAIPNDOSA-N 1 3 334.508 2.524 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])N(C)C)cc1 ZINC000418195362 312345099 /nfs/dbraw/zinc/34/50/99/312345099.db2.gz PSGMQSFUWGLQSX-MAUKXSAKSA-N 1 3 334.508 2.524 20 0 EFADHO CCc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418220523 312349082 /nfs/dbraw/zinc/34/90/82/312349082.db2.gz UUUZZXXNUCMAPX-YJBOKZPZSA-N 1 3 334.508 2.526 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])N(CC)CC)cc1 ZINC000418224187 312349921 /nfs/dbraw/zinc/34/99/21/312349921.db2.gz ZQMAFEVMKQKSJK-CRAIPNDOSA-N 1 3 334.508 2.621 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000418241407 312352626 /nfs/dbraw/zinc/35/26/26/312352626.db2.gz SUNCEOCMODRFAZ-IBGZPJMESA-N 1 3 346.519 2.667 20 0 EFADHO C[C@H](CCCC[NH3+])NC(=O)NCC1(N(C)Cc2ccccc2)CCC1 ZINC000418248696 312353733 /nfs/dbraw/zinc/35/37/33/312353733.db2.gz SBYVGDALTOYSIO-QGZVFWFLSA-N 1 3 346.519 2.858 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000418266680 312354593 /nfs/dbraw/zinc/35/45/93/312354593.db2.gz NGMASXOCPRFCEE-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000418266680 312354595 /nfs/dbraw/zinc/35/45/95/312354595.db2.gz NGMASXOCPRFCEE-IBGZPJMESA-N 1 3 346.519 2.983 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000418276186 312356167 /nfs/dbraw/zinc/35/61/67/312356167.db2.gz FNJPYHADMQYYOD-LPHOPBHVSA-N 1 3 346.519 2.841 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000418276186 312356171 /nfs/dbraw/zinc/35/61/71/312356171.db2.gz FNJPYHADMQYYOD-LPHOPBHVSA-N 1 3 346.519 2.841 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCCN1C)c1ccccc1 ZINC000420772580 312386937 /nfs/dbraw/zinc/38/69/37/312386937.db2.gz OASVLXBPUUPJOF-RTBURBONSA-N 1 3 346.519 2.805 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420820483 312396806 /nfs/dbraw/zinc/39/68/06/312396806.db2.gz MJMMBHOJSYEOQH-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420820483 312396808 /nfs/dbraw/zinc/39/68/08/312396808.db2.gz MJMMBHOJSYEOQH-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)N2CCCC2)cc1 ZINC000423354798 312414728 /nfs/dbraw/zinc/41/47/28/312414728.db2.gz HBBTXWAIYZTIBE-NEWSRXKRSA-N 1 3 329.488 2.636 20 0 EFADHO CC[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1 ZINC000423387576 312418760 /nfs/dbraw/zinc/41/87/60/312418760.db2.gz MEVKPFVVCQENRN-JKSUJKDBSA-N 1 3 329.410 2.872 20 0 EFADHO CC(C)[C@H](C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H](C)[NH3+] ZINC000423386040 312418772 /nfs/dbraw/zinc/41/87/72/312418772.db2.gz LTKFDZMYCPFTNR-QAPCUYQASA-N 1 3 349.544 2.836 20 0 EFADHO CCOc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423394232 312419224 /nfs/dbraw/zinc/41/92/24/312419224.db2.gz RSLXIUMPCSAQPC-CJNGLKHVSA-N 1 3 345.409 2.572 20 0 EFADHO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000423512057 312427288 /nfs/dbraw/zinc/42/72/88/312427288.db2.gz UKWKPROBZWTRGT-HNAYVOBHSA-N 1 3 336.443 2.793 20 0 EFADHO CN1CCO[C@H]([C@H](NCCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)C1 ZINC000423538571 312431672 /nfs/dbraw/zinc/43/16/72/312431672.db2.gz NECBFPUZXFMTCI-RBUKOAKNSA-N 1 3 349.906 2.611 20 0 EFADHO C[C@@H](CC(=O)N(CCN(C)C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423756192 312449335 /nfs/dbraw/zinc/44/93/35/312449335.db2.gz GFWVGYBRPRKKDN-FUHWJXTLSA-N 1 3 349.494 2.742 20 0 EFADHO CN(C)C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000423770688 312451520 /nfs/dbraw/zinc/45/15/20/312451520.db2.gz ICLHZHHMWGIJPT-FXANMCRTSA-N 1 3 349.906 2.980 20 0 EFADHO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000423782724 312452815 /nfs/dbraw/zinc/45/28/15/312452815.db2.gz JBIFWHQUKQLMTK-MOPGFXCFSA-N 1 3 344.503 2.712 20 0 EFADHO N[C@H](CC1CCCCC1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000424031797 312499814 /nfs/dbraw/zinc/49/98/14/312499814.db2.gz BRVQMJZMZBLGGW-ORPJZTTNSA-N 1 3 333.520 2.554 20 0 EFADHO CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000433174027 312597898 /nfs/dbraw/zinc/59/78/98/312597898.db2.gz MBRYBQDAXCXZGT-MOPGFXCFSA-N 1 3 331.504 2.807 20 0 EFADHO c1cc(N2CCN(CCC[NH2+][C@H](C3CC3)C3CCC3)CC2)ccn1 ZINC000453080698 312857990 /nfs/dbraw/zinc/85/79/90/312857990.db2.gz FTBIAGHWNPOHKG-FQEVSTJZSA-N 1 3 328.504 2.762 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)N(C)C)cc1 ZINC000458049009 313062090 /nfs/dbraw/zinc/06/20/90/313062090.db2.gz PEQOBMAXWLBSFC-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)N(C)C)cc1 ZINC000458049009 313062093 /nfs/dbraw/zinc/06/20/93/313062093.db2.gz PEQOBMAXWLBSFC-PKOBYXMFSA-N 1 3 346.519 2.629 20 0 EFADHO CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(C)c1)N(CC)CC ZINC000458195212 313082247 /nfs/dbraw/zinc/08/22/47/313082247.db2.gz LNFUMHUEYBAMRH-KRWDZBQOSA-N 1 3 335.492 2.994 20 0 EFADHO CCC[NH+](CCC)CCCNC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000458263744 313098059 /nfs/dbraw/zinc/09/80/59/313098059.db2.gz BFFCLSNFOXVJAQ-QGZVFWFLSA-N 1 3 338.540 2.624 20 0 EFADHO CCc1ccc([C@@H](CO)[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000459447023 313107864 /nfs/dbraw/zinc/10/78/64/313107864.db2.gz VMVIJYZFHPBOKW-HXUWFJFHSA-N 1 3 325.456 2.936 20 0 EFADHO CCN1CCN(c2ccccc2C[NH2+]CCC(O)(CC)CC)CC1 ZINC000471805476 313161284 /nfs/dbraw/zinc/16/12/84/313161284.db2.gz SIBRVIAHJBDEIF-UHFFFAOYSA-N 1 3 333.520 2.859 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC000475035395 313214848 /nfs/dbraw/zinc/21/48/48/313214848.db2.gz YTHUBEJAUOITHU-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+](C)CC1CCCCC1)c1ccccc1 ZINC000475035395 313214855 /nfs/dbraw/zinc/21/48/55/313214855.db2.gz YTHUBEJAUOITHU-IBGZPJMESA-N 1 3 331.504 2.918 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000477244844 313240907 /nfs/dbraw/zinc/24/09/07/313240907.db2.gz VJGLNJRDZCQVHY-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000477244844 313240910 /nfs/dbraw/zinc/24/09/10/313240910.db2.gz VJGLNJRDZCQVHY-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCC[C@H]1C ZINC000479306970 313264902 /nfs/dbraw/zinc/26/49/02/313264902.db2.gz DJAFULKWEQIQTH-VQVIJEGRSA-N 1 3 336.524 2.516 20 0 EFADHO C[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCC[C@H]1C ZINC000479306970 313264906 /nfs/dbraw/zinc/26/49/06/313264906.db2.gz DJAFULKWEQIQTH-VQVIJEGRSA-N 1 3 336.524 2.516 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000479373560 313266797 /nfs/dbraw/zinc/26/67/97/313266797.db2.gz BDWKYMKXXUEUNX-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000479373560 313266799 /nfs/dbraw/zinc/26/67/99/313266799.db2.gz BDWKYMKXXUEUNX-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000479729238 313276113 /nfs/dbraw/zinc/27/61/13/313276113.db2.gz PNLNLWPKBQBMGI-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCCC1(C)C)c1ccccc1 ZINC000481168008 313287918 /nfs/dbraw/zinc/28/79/18/313287918.db2.gz BEWZAJGHBZYYTO-ROUUACIJSA-N 1 3 331.504 2.964 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000483810325 313316037 /nfs/dbraw/zinc/31/60/37/313316037.db2.gz UDFZSAYVTGXKOS-MMQJMDILSA-N 1 3 342.886 2.948 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000483810325 313316038 /nfs/dbraw/zinc/31/60/38/313316038.db2.gz UDFZSAYVTGXKOS-MMQJMDILSA-N 1 3 342.886 2.948 20 0 EFADHO CCC(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)N1CCCC1 ZINC000484777526 313323450 /nfs/dbraw/zinc/32/34/50/313323450.db2.gz QVLGJMHVKXQBHO-ZRNYENFQSA-N 1 3 337.552 2.634 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485329599 313325812 /nfs/dbraw/zinc/32/58/12/313325812.db2.gz KRHPXOVAGDSDAM-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(C2CCCCC2)CC1 ZINC000485329599 313325814 /nfs/dbraw/zinc/32/58/14/313325814.db2.gz KRHPXOVAGDSDAM-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000486614586 313341270 /nfs/dbraw/zinc/34/12/70/313341270.db2.gz KPXAMNPJDMZENL-HLNWXESRSA-N 1 3 348.535 2.988 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCN(CCC(C)(C)C)CC2)C1 ZINC000489786633 313606352 /nfs/dbraw/zinc/60/63/52/313606352.db2.gz NRSYTBFQGLSXOE-SJORKVTESA-N 1 3 338.540 2.623 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)/C=C\CN(C)C)c2)CC1 ZINC000491861963 313794296 /nfs/dbraw/zinc/79/42/96/313794296.db2.gz BKFWTOUVSKGOJX-YVMONPNESA-N 1 3 329.488 2.653 20 0 EFADHO CC1CC[NH+](Cc2ccccc2CNC(=O)/C=C/CN(C)C)CC1 ZINC000493159649 314260959 /nfs/dbraw/zinc/26/09/59/314260959.db2.gz RVNXEDJFUGTIGU-RMKNXTFCSA-N 1 3 329.488 2.653 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCC[NH+]3CCCC3)C[C@H]2C1 ZINC000496273099 315007664 /nfs/dbraw/zinc/00/76/64/315007664.db2.gz ISNMFZYVIBDZCC-SJORKVTESA-N 1 3 337.508 2.661 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496336997 315031710 /nfs/dbraw/zinc/03/17/10/315031710.db2.gz CAOCQCOPQLOJSD-GPMSIDNRSA-N 1 3 337.508 2.565 20 0 EFADHO CC(C)C[C@H](C[N@@H+]1CC[C@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374278 315044695 /nfs/dbraw/zinc/04/46/95/315044695.db2.gz KPMOARFDQNWJKJ-HZPDHXFCSA-N 1 3 327.513 2.809 20 0 EFADHO CC(C)C[C@H](C[N@H+]1CC[C@H](CN(C)C)C1)NC(=O)OC(C)(C)C ZINC000496374278 315044699 /nfs/dbraw/zinc/04/46/99/315044699.db2.gz KPMOARFDQNWJKJ-HZPDHXFCSA-N 1 3 327.513 2.809 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000496594222 315123725 /nfs/dbraw/zinc/12/37/25/315123725.db2.gz FXDXBVSZNWHURS-IAGOWNOFSA-N 1 3 331.460 2.629 20 0 EFADHO CN1CCC([C@@H]2CC[N@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000496648916 315144082 /nfs/dbraw/zinc/14/40/82/315144082.db2.gz ZJDRLBADWAXCIH-MRXNPFEDSA-N 1 3 325.497 2.565 20 0 EFADHO CN1CCC([C@@H]2CC[N@@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000496648916 315144083 /nfs/dbraw/zinc/14/40/83/315144083.db2.gz ZJDRLBADWAXCIH-MRXNPFEDSA-N 1 3 325.497 2.565 20 0 EFADHO C[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000496756235 315183474 /nfs/dbraw/zinc/18/34/74/315183474.db2.gz IQVKSJDIOBHDOH-HZPDHXFCSA-N 1 3 339.524 2.953 20 0 EFADHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825899 315209910 /nfs/dbraw/zinc/20/99/10/315209910.db2.gz CVMAWBCANQWXKK-HOCLYGCPSA-N 1 3 337.508 2.848 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@H](NC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496825899 315209911 /nfs/dbraw/zinc/20/99/11/315209911.db2.gz CVMAWBCANQWXKK-HOCLYGCPSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1C[C@@H](CN)C[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960772 315258749 /nfs/dbraw/zinc/25/87/49/315258749.db2.gz USTXPIGKYNFGEY-APWZRJJASA-N 1 3 345.487 2.704 20 0 EFADHO C[C@@H]1C[C@@H](CN)C[N@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496960772 315258752 /nfs/dbraw/zinc/25/87/52/315258752.db2.gz USTXPIGKYNFGEY-APWZRJJASA-N 1 3 345.487 2.704 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@@H+]4CCCC[C@H]34)C2)C1 ZINC000496986257 315267866 /nfs/dbraw/zinc/26/78/66/315267866.db2.gz OLXZDMJNMFGJEZ-JKSUJKDBSA-N 1 3 335.492 2.602 20 0 EFADHO CC(C)(C)OC(=O)N1CC2(CC(N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000496986257 315267869 /nfs/dbraw/zinc/26/78/69/315267869.db2.gz OLXZDMJNMFGJEZ-JKSUJKDBSA-N 1 3 335.492 2.602 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992728 315270226 /nfs/dbraw/zinc/27/02/26/315270226.db2.gz GJSJVIYFFUFSFH-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992728 315270228 /nfs/dbraw/zinc/27/02/28/315270228.db2.gz GJSJVIYFFUFSFH-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992728 315270230 /nfs/dbraw/zinc/27/02/30/315270230.db2.gz GJSJVIYFFUFSFH-HNNXBMFYSA-N 1 3 337.508 2.707 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992729 315270258 /nfs/dbraw/zinc/27/02/58/315270258.db2.gz GJSJVIYFFUFSFH-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992729 315270261 /nfs/dbraw/zinc/27/02/61/315270261.db2.gz GJSJVIYFFUFSFH-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000496992729 315270263 /nfs/dbraw/zinc/27/02/63/315270263.db2.gz GJSJVIYFFUFSFH-OAHLLOKOSA-N 1 3 337.508 2.707 20 0 EFADHO O=C(OCc1ccccc1)N1CCC([NH2+]CCCNC2CC2)CC1 ZINC000497072843 315299386 /nfs/dbraw/zinc/29/93/86/315299386.db2.gz NPASADLJUMIYAA-UHFFFAOYSA-N 1 3 331.460 2.519 20 0 EFADHO O=C1N[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]2CO1 ZINC000497095462 315307717 /nfs/dbraw/zinc/30/77/17/315307717.db2.gz NWMNALUXEVTSLD-MOPGFXCFSA-N 1 3 343.471 2.603 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178824 315339203 /nfs/dbraw/zinc/33/92/03/315339203.db2.gz PODSKVWSJXQKTH-HNNXBMFYSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178824 315339206 /nfs/dbraw/zinc/33/92/06/315339206.db2.gz PODSKVWSJXQKTH-HNNXBMFYSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNC2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497178824 315339208 /nfs/dbraw/zinc/33/92/08/315339208.db2.gz PODSKVWSJXQKTH-HNNXBMFYSA-N 1 3 337.508 2.706 20 0 EFADHO CC(C)(C)OC(=O)NCC1(CNC2CC([NH+]3CCCCC3)C2)CC1 ZINC000497195005 315345104 /nfs/dbraw/zinc/34/51/04/315345104.db2.gz RWIUMBZSFYTZSP-UHFFFAOYSA-N 1 3 337.508 2.898 20 0 EFADHO CC(C)N1CC[C@H](C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 ZINC000497217855 315354920 /nfs/dbraw/zinc/35/49/20/315354920.db2.gz GECUHZVGTNHPLQ-GPMSIDNRSA-N 1 3 337.508 2.563 20 0 EFADHO CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000497229514 315358948 /nfs/dbraw/zinc/35/89/48/315358948.db2.gz UZUZEWJCABQRMD-UHFFFAOYSA-N 1 3 345.487 2.719 20 0 EFADHO O=C(Oc1ccccc1)N1CCC[C@H](N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000497261402 315370745 /nfs/dbraw/zinc/37/07/45/315370745.db2.gz MOBROVRFNYYTEZ-DLBZAZTESA-N 1 3 331.460 2.772 20 0 EFADHO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CCN1 ZINC000497282733 315378268 /nfs/dbraw/zinc/37/82/68/315378268.db2.gz MHHXEKLIMNIKLJ-IXDOHACOSA-N 1 3 331.460 2.770 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000501844841 315430092 /nfs/dbraw/zinc/43/00/92/315430092.db2.gz UTOQPTYKZNMNFS-QGZVFWFLSA-N 1 3 338.540 2.815 20 0 EFADHO CC(C)C[C@H](CNC(=O)[C@H](N)C1CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000514601265 315543916 /nfs/dbraw/zinc/54/39/16/315543916.db2.gz ZUHXECHDELAIQC-KFKAGJAMSA-N 1 3 331.504 2.996 20 0 EFADHO C[C@H](CNC(=O)Nc1ccc2c(c1F)CCNC2)[NH+]1CCC(C)CC1 ZINC000514719825 315556400 /nfs/dbraw/zinc/55/64/00/315556400.db2.gz AUZDEHNFHXGDBS-CQSZACIVSA-N 1 3 348.466 2.713 20 0 EFADHO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc2c1CCNC2 ZINC000516915320 315717443 /nfs/dbraw/zinc/71/74/43/315717443.db2.gz MNZXFBWHXMWLHI-UHFFFAOYSA-N 1 3 330.476 2.720 20 0 EFADHO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CNCc2ccccc21 ZINC000519391510 315858993 /nfs/dbraw/zinc/85/89/93/315858993.db2.gz DRXYMRIUDHTLKB-OAQYLSRUSA-N 1 3 349.478 2.786 20 0 EFADHO O=C(Nc1cccc2c1CC[NH2+]C2)N1CCN(C2CCCCC2)CC1 ZINC000521407971 316020297 /nfs/dbraw/zinc/02/02/97/316020297.db2.gz AOLFVUASLIJDRB-UHFFFAOYSA-N 1 3 342.487 2.815 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000521462517 316026344 /nfs/dbraw/zinc/02/63/44/316026344.db2.gz KCRSRCRUELJINK-RBSFLKMASA-N 1 3 338.293 2.887 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000521462514 316026407 /nfs/dbraw/zinc/02/64/07/316026407.db2.gz KCRSRCRUELJINK-ILXRZTDVSA-N 1 3 338.293 2.887 20 0 EFADHO COc1cccc([C@H](CNC(=O)CCCC[NH+](C)C)N2CCCC2)c1 ZINC000521921762 316052458 /nfs/dbraw/zinc/05/24/58/316052458.db2.gz OUPIVHWHGDGZLU-IBGZPJMESA-N 1 3 347.503 2.680 20 0 EFADHO Clc1ccc(-n2cc(CNCC[C@@H]3CC[NH2+]C3)nn2)cc1Cl ZINC000521983279 316058550 /nfs/dbraw/zinc/05/85/50/316058550.db2.gz NREVSYLFGLOBFJ-NSHDSACASA-N 1 3 340.258 2.663 20 0 EFADHO C[C@@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000521984256 316058594 /nfs/dbraw/zinc/05/85/94/316058594.db2.gz GROLEMFKGYMMOW-HNNXBMFYSA-N 1 3 330.476 2.574 20 0 EFADHO C[C@H](CNC(=O)Nc1cccc2c1CCNC2)[NH+]1CCC(C)CC1 ZINC000521984258 316058884 /nfs/dbraw/zinc/05/88/84/316058884.db2.gz GROLEMFKGYMMOW-OAHLLOKOSA-N 1 3 330.476 2.574 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@H](C)c1cncc(Br)c1 ZINC000522015692 316064742 /nfs/dbraw/zinc/06/47/42/316064742.db2.gz ZRBVRZLFEFJEQJ-DOMZBBRYSA-N 1 3 344.297 2.852 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(C)c1 ZINC000523094178 316110740 /nfs/dbraw/zinc/11/07/40/316110740.db2.gz OYDCJKJYUREIIH-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCc1cccc(C)c1 ZINC000523094178 316110742 /nfs/dbraw/zinc/11/07/42/316110742.db2.gz OYDCJKJYUREIIH-FQEVSTJZSA-N 1 3 345.531 2.802 20 0 EFADHO CC(C)C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC000524905835 316180723 /nfs/dbraw/zinc/18/07/23/316180723.db2.gz HZLVWTSDUQJYAI-IBGZPJMESA-N 1 3 348.535 2.909 20 0 EFADHO CCSc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000525884282 316252718 /nfs/dbraw/zinc/25/27/18/316252718.db2.gz BZEKAQUFGRDSAN-UHFFFAOYSA-N 1 3 338.521 2.756 20 0 EFADHO c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(CC4CC4)CC3)C2)cc1 ZINC000525997342 316271661 /nfs/dbraw/zinc/27/16/61/316271661.db2.gz GYKKOFKCTBNECN-FQEVSTJZSA-N 1 3 327.516 2.973 20 0 EFADHO CCOC(=O)[C@@](C)(C[NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000526062052 316285064 /nfs/dbraw/zinc/28/50/64/316285064.db2.gz UHCXEBFNTDCOCY-NRFANRHFSA-N 1 3 344.499 2.971 20 0 EFADHO CSc1ccc(C)c(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000526186940 316299955 /nfs/dbraw/zinc/29/99/55/316299955.db2.gz UEUHGLFDNVMDNA-UHFFFAOYSA-N 1 3 338.521 2.674 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC[C@H]2CCCCN2C)[C@@H](C)C1 ZINC000527049660 316326033 /nfs/dbraw/zinc/32/60/33/316326033.db2.gz SMPDOILNXZJLNG-OTWHNJEPSA-N 1 3 325.541 2.587 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC[C@@H]2CCCCN2C)[C@@H](C)C1 ZINC000527049659 316326223 /nfs/dbraw/zinc/32/62/23/316326223.db2.gz SMPDOILNXZJLNG-FHWLQOOXSA-N 1 3 325.541 2.587 20 0 EFADHO O[C@]1(CNC2CC[NH+](CC3CC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000527100528 316334542 /nfs/dbraw/zinc/33/45/42/316334542.db2.gz KDOIYDGTXZCANE-GOEBONIOSA-N 1 3 334.426 2.934 20 0 EFADHO Fc1ccc(CCN2CCC(N[C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000530178638 317071776 /nfs/dbraw/zinc/07/17/76/317071776.db2.gz PIOJOVCSWAYOJU-IBGZPJMESA-N 1 3 331.479 2.707 20 0 EFADHO CO[C@H](CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000530224972 317084962 /nfs/dbraw/zinc/08/49/62/317084962.db2.gz NJHLGTRSQPSYRL-QRVBRYPASA-N 1 3 336.451 2.732 20 0 EFADHO CC1(C)Cc2cccc(CN3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2O1 ZINC000530249338 317091057 /nfs/dbraw/zinc/09/10/57/317091057.db2.gz WASVYLDOQBKQTE-IBGZPJMESA-N 1 3 344.499 2.991 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000530249293 317091310 /nfs/dbraw/zinc/09/13/10/317091310.db2.gz USXLKDSSOSPQRI-QGZVFWFLSA-N 1 3 344.459 2.569 20 0 EFADHO CCCn1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cc2ccccc21 ZINC000530350554 317111985 /nfs/dbraw/zinc/11/19/85/317111985.db2.gz NLTZMZWZEIARCR-UHFFFAOYSA-N 1 3 344.503 2.617 20 0 EFADHO Cn1cncc1CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000530407265 317122277 /nfs/dbraw/zinc/12/22/77/317122277.db2.gz JMXCRXQFGUEVEI-CEWLAPEOSA-N 1 3 338.499 2.853 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCc1ccc2ccccc2c1 ZINC000530880541 317190383 /nfs/dbraw/zinc/19/03/83/317190383.db2.gz UPTPARFFGUJIGM-UHFFFAOYSA-N 1 3 341.499 2.724 20 0 EFADHO CC(C)=CCOc1cccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000531357635 317255030 /nfs/dbraw/zinc/25/50/30/317255030.db2.gz LWLGFZFIPQKOKV-UHFFFAOYSA-N 1 3 347.503 2.597 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)C1CCC(c2ccccc2)CC1 ZINC000531357824 317255203 /nfs/dbraw/zinc/25/52/03/317255203.db2.gz OQYQNNFGLNVSDT-UHFFFAOYSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1ccc2ccccc2n1 ZINC000531686849 317300751 /nfs/dbraw/zinc/30/07/51/317300751.db2.gz GKEJPTZGLILCDF-QGZVFWFLSA-N 1 3 326.488 2.913 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531979576 317338407 /nfs/dbraw/zinc/33/84/07/317338407.db2.gz KSLHBNWUFMLXDR-RHSMWYFYSA-N 1 3 333.476 2.579 20 0 EFADHO CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532520614 317410330 /nfs/dbraw/zinc/41/03/30/317410330.db2.gz HMUASUDNUKLPAN-MJGOQNOKSA-N 1 3 345.535 2.936 20 0 EFADHO C[C@@H](CCc1ccccc1)CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000538307256 317692197 /nfs/dbraw/zinc/69/21/97/317692197.db2.gz JTRYFEJJTUDWLI-FQEVSTJZSA-N 1 3 329.532 2.969 20 0 EFADHO CC[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000540190181 317741195 /nfs/dbraw/zinc/74/11/95/317741195.db2.gz GCELOGNXBQLTRL-CTNGQTDRSA-N 1 3 345.531 2.994 20 0 EFADHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548362510 318098953 /nfs/dbraw/zinc/09/89/53/318098953.db2.gz QOHFJYCGQSJBME-SJORKVTESA-N 1 3 346.500 2.606 20 0 EFADHO CN1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000548392126 318102589 /nfs/dbraw/zinc/10/25/89/318102589.db2.gz NVYUZCQTHLRLJD-PMACEKPBSA-N 1 3 343.515 2.855 20 0 EFADHO CN1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](c2ccccc2)C1 ZINC000548392126 318102590 /nfs/dbraw/zinc/10/25/90/318102590.db2.gz NVYUZCQTHLRLJD-PMACEKPBSA-N 1 3 343.515 2.855 20 0 EFADHO CN1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000548392127 318102699 /nfs/dbraw/zinc/10/26/99/318102699.db2.gz NVYUZCQTHLRLJD-UXHICEINSA-N 1 3 343.515 2.855 20 0 EFADHO CN1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000548392127 318102702 /nfs/dbraw/zinc/10/27/02/318102702.db2.gz NVYUZCQTHLRLJD-UXHICEINSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000549617717 318178764 /nfs/dbraw/zinc/17/87/64/318178764.db2.gz VCXDBYOCZQGKGM-MRXNPFEDSA-N 1 3 325.884 2.791 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551793392 318216555 /nfs/dbraw/zinc/21/65/55/318216555.db2.gz KNXOYGGWLLMKMF-WOJBJXKFSA-N 1 3 345.531 2.850 20 0 EFADHO CCCN1CCC[C@H]1C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000552098414 318242318 /nfs/dbraw/zinc/24/23/18/318242318.db2.gz BRUBWHVEHCQHTK-QYZOEREBSA-N 1 3 325.541 2.587 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000552337356 318252677 /nfs/dbraw/zinc/25/26/77/318252677.db2.gz RLKKIQMJUIXZET-HOTGVXAUSA-N 1 3 333.476 2.876 20 0 EFADHO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)CC(=O)Nc1ccccc1OC ZINC000552337356 318252680 /nfs/dbraw/zinc/25/26/80/318252680.db2.gz RLKKIQMJUIXZET-HOTGVXAUSA-N 1 3 333.476 2.876 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000552360948 318253317 /nfs/dbraw/zinc/25/33/17/318253317.db2.gz ZZSPDSUSAHDEEF-KSZLIROESA-N 1 3 346.519 2.623 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccncc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552360948 318253319 /nfs/dbraw/zinc/25/33/19/318253319.db2.gz ZZSPDSUSAHDEEF-KSZLIROESA-N 1 3 346.519 2.623 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061261 318269368 /nfs/dbraw/zinc/26/93/68/318269368.db2.gz XFQMHXOWMUNDCL-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)CC1 ZINC000553061261 318269369 /nfs/dbraw/zinc/26/93/69/318269369.db2.gz XFQMHXOWMUNDCL-AZUAARDMSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553127436 318271403 /nfs/dbraw/zinc/27/14/03/318271403.db2.gz HHBVHCHRNMLYQM-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CC[C@H]1CCCCN1CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553127436 318271404 /nfs/dbraw/zinc/27/14/04/318271404.db2.gz HHBVHCHRNMLYQM-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCCOc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000553178834 318273594 /nfs/dbraw/zinc/27/35/94/318273594.db2.gz FNXOWNGPYNLICP-UHFFFAOYSA-N 1 3 333.520 2.933 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000553179189 318273743 /nfs/dbraw/zinc/27/37/43/318273743.db2.gz SRFRUAZUKGMJMB-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H]1CCCCN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000553257259 318276665 /nfs/dbraw/zinc/27/66/65/318276665.db2.gz XTURUVWPXXUZKL-SFHVURJKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000553527906 318286250 /nfs/dbraw/zinc/28/62/50/318286250.db2.gz OYDUDNCJJGXZCJ-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CCN(C2CCC2)C1 ZINC000553527906 318286251 /nfs/dbraw/zinc/28/62/51/318286251.db2.gz OYDUDNCJJGXZCJ-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000554881587 318339141 /nfs/dbraw/zinc/33/91/41/318339141.db2.gz AKAVONGFRKGDPS-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000554881587 318339143 /nfs/dbraw/zinc/33/91/43/318339143.db2.gz AKAVONGFRKGDPS-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)cc1 ZINC000554881587 318339145 /nfs/dbraw/zinc/33/91/45/318339145.db2.gz AKAVONGFRKGDPS-HZPDHXFCSA-N 1 3 333.476 2.732 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555009001 318343429 /nfs/dbraw/zinc/34/34/29/318343429.db2.gz DVFVEZBTCQWQNU-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC1CC[NH+](C(C)C)CC1 ZINC000556609359 318395039 /nfs/dbraw/zinc/39/50/39/318395039.db2.gz RRAVASMKWKSXQT-VQIMIIECSA-N 1 3 332.488 2.869 20 0 EFADHO CCc1cc(N2CCC(N[C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)ncn1 ZINC000556951961 318420956 /nfs/dbraw/zinc/42/09/56/318420956.db2.gz JCDFNYDUQYMQQE-APWZRJJASA-N 1 3 345.535 2.908 20 0 EFADHO COc1cc([C@H](C)NCc2ccc(OCC[NH+](C)C)cc2)ccn1 ZINC000559895117 318520778 /nfs/dbraw/zinc/52/07/78/318520778.db2.gz MZCXIBLOMGDHPY-HNNXBMFYSA-N 1 3 329.444 2.881 20 0 EFADHO COc1ccc([C@H]([NH2+]CCCCN2CCN(C)CC2)C2CC2)c(F)c1 ZINC000562951369 318718330 /nfs/dbraw/zinc/71/83/30/318718330.db2.gz XRFQLRBNYMFYLB-HXUWFJFHSA-N 1 3 349.494 2.903 20 0 EFADHO C[C@H]1CCC[C@H](C)N1CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563374814 318776361 /nfs/dbraw/zinc/77/63/61/318776361.db2.gz BDBCDDVPHXOIOV-IRXDYDNUSA-N 1 3 331.504 2.783 20 0 EFADHO CN(C)C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000563506120 318790288 /nfs/dbraw/zinc/79/02/88/318790288.db2.gz NTBZTAKTRABUHA-GOSISDBHSA-N 1 3 342.418 2.853 20 0 EFADHO C[C@@H]([NH2+]CC(=O)NCCN1CCCCCC1)[C@@H](C)c1ccccc1 ZINC000563694027 318810211 /nfs/dbraw/zinc/81/02/11/318810211.db2.gz VTHNLONRGYJYAM-QZTJIDSGSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H](N)c1ccccc1 ZINC000564656789 318878598 /nfs/dbraw/zinc/87/85/98/318878598.db2.gz ZLEBJTNRQKIARI-KDUTZUBBSA-N 1 3 341.499 2.592 20 0 EFADHO CC(C)(C(=O)NC[C@@H]1NCCc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000565352884 318961302 /nfs/dbraw/zinc/96/13/02/318961302.db2.gz JJQZIFODFCGUNY-OALUTQOASA-N 1 3 337.467 2.716 20 0 EFADHO Cc1c([C@H](C)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1-c1ccccc1 ZINC000566092261 319031477 /nfs/dbraw/zinc/03/14/77/319031477.db2.gz VRJPTUAXRCLJSZ-PQEBFOHHSA-N 1 3 325.460 2.614 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000566105891 319032657 /nfs/dbraw/zinc/03/26/57/319032657.db2.gz AHTIXMOFNZFKOX-PXNSSMCTSA-N 1 3 334.504 2.796 20 0 EFADHO CCOCC[C@H](O)CNCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000566105891 319032658 /nfs/dbraw/zinc/03/26/58/319032658.db2.gz AHTIXMOFNZFKOX-PXNSSMCTSA-N 1 3 334.504 2.796 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](NC[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000566112182 319034150 /nfs/dbraw/zinc/03/41/50/319034150.db2.gz LFTLBZQPNBGZQK-YOUFYPILSA-N 1 3 346.515 2.904 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000566112182 319034152 /nfs/dbraw/zinc/03/41/52/319034152.db2.gz LFTLBZQPNBGZQK-YOUFYPILSA-N 1 3 346.515 2.904 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(CC3CC3)CC3CC3)CC2)CC1 ZINC000566443765 319076657 /nfs/dbraw/zinc/07/66/57/319076657.db2.gz BCHOFHZBMDQZEK-UHFFFAOYSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)[C@H]1COc2ccccc21 ZINC000566556815 319089185 /nfs/dbraw/zinc/08/91/85/319089185.db2.gz DYLQGOJQLTWMSB-CXAGYDPISA-N 1 3 327.428 2.796 20 0 EFADHO C[NH+](C)CC[C@@H](NC[C@@H](O)COc1ccc(F)cc1)C(C)(C)C ZINC000566673314 319100613 /nfs/dbraw/zinc/10/06/13/319100613.db2.gz HRRATFMKIKMRGG-NVXWUHKLSA-N 1 3 326.456 2.521 20 0 EFADHO C[NH+](C)CC[C@H](NC[C@H](O)COc1ccc(F)cc1)C(C)(C)C ZINC000566673315 319100703 /nfs/dbraw/zinc/10/07/03/319100703.db2.gz HRRATFMKIKMRGG-RDJZCZTQSA-N 1 3 326.456 2.521 20 0 EFADHO O=C(Nc1ccccc1)N1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000566908889 319121151 /nfs/dbraw/zinc/12/11/51/319121151.db2.gz CPERTQJBSSMWNM-INDMIFKZSA-N 1 3 342.487 2.803 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000566914357 319121894 /nfs/dbraw/zinc/12/18/94/319121894.db2.gz MKZYIEKIBQWBFR-MAUKXSAKSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000566914359 319121934 /nfs/dbraw/zinc/12/19/34/319121934.db2.gz MKZYIEKIBQWBFR-YJBOKZPZSA-N 1 3 347.503 2.677 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000567097259 319137853 /nfs/dbraw/zinc/13/78/53/319137853.db2.gz FCZJSBOHMFBMHF-SFHVURJKSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000567097259 319137855 /nfs/dbraw/zinc/13/78/55/319137855.db2.gz FCZJSBOHMFBMHF-SFHVURJKSA-N 1 3 346.519 2.765 20 0 EFADHO C[C@H](NC[C@H](O)COCc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000567228404 319151439 /nfs/dbraw/zinc/15/14/39/319151439.db2.gz SOXIUWHWRSHRCO-YOEHRIQHSA-N 1 3 342.911 2.783 20 0 EFADHO C[C@H](NC[C@@H](O)COCc1ccc(Cl)cc1)C(C)(C)C[NH+](C)C ZINC000567228403 319151641 /nfs/dbraw/zinc/15/16/41/319151641.db2.gz SOXIUWHWRSHRCO-WMLDXEAASA-N 1 3 342.911 2.783 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567345349 319162445 /nfs/dbraw/zinc/16/24/45/319162445.db2.gz DQYMQBCKJGPTQZ-PKOBYXMFSA-N 1 3 342.483 2.901 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000567382995 319166724 /nfs/dbraw/zinc/16/67/24/319166724.db2.gz GEDICRYMMFMMNK-YQVWRLOYSA-N 1 3 346.519 2.885 20 0 EFADHO c1ccc(CN2CC[C@@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000567457447 319173045 /nfs/dbraw/zinc/17/30/45/319173045.db2.gz NZWMNEJKVYQTKL-NHCUHLMSSA-N 1 3 344.499 2.780 20 0 EFADHO c1ccc(CN2CC[C@@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000567457447 319173047 /nfs/dbraw/zinc/17/30/47/319173047.db2.gz NZWMNEJKVYQTKL-NHCUHLMSSA-N 1 3 344.499 2.780 20 0 EFADHO C[C@H](NCC1CC[NH2+]CC1)c1ccccc1I ZINC000567639470 319191565 /nfs/dbraw/zinc/19/15/65/319191565.db2.gz RHZQGGBLZUANFF-NSHDSACASA-N 1 3 344.240 2.941 20 0 EFADHO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000567660130 319193204 /nfs/dbraw/zinc/19/32/04/319193204.db2.gz GRJMZPHHBZCCNY-UHOSZYNNSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1cc2ncn(C[C@H](O)CN[C@H](C)C(C)(C)C[NH+](C)C)c2cc1C ZINC000567689385 319197907 /nfs/dbraw/zinc/19/79/07/319197907.db2.gz JGLDPSMLJAYFSX-IAGOWNOFSA-N 1 3 346.519 2.580 20 0 EFADHO CN(C)CCc1ccccc1NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000567734797 319204931 /nfs/dbraw/zinc/20/49/31/319204931.db2.gz XPHLPPMGURVNIS-UHFFFAOYSA-N 1 3 326.444 2.571 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000567818129 319214555 /nfs/dbraw/zinc/21/45/55/319214555.db2.gz AQHPSCHIQSEGGR-FQEVSTJZSA-N 1 3 343.515 2.748 20 0 EFADHO Cc1nc(COc2ccc(CN3CCC(CC[NH3+])CC3)cc2)no1 ZINC000568007446 319235909 /nfs/dbraw/zinc/23/59/09/319235909.db2.gz MISJWURKUYUXKN-UHFFFAOYSA-N 1 3 330.432 2.518 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000568148651 319250148 /nfs/dbraw/zinc/25/01/48/319250148.db2.gz GKMFQRPJUMAKEH-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000568148651 319250150 /nfs/dbraw/zinc/25/01/50/319250150.db2.gz GKMFQRPJUMAKEH-MJGOQNOKSA-N 1 3 346.519 2.530 20 0 EFADHO OC[C@@]1(CNC2CC[NH+](CC3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000568347002 319272709 /nfs/dbraw/zinc/27/27/09/319272709.db2.gz LGRTTZJQFXTTKJ-UXHICEINSA-N 1 3 332.463 2.756 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000568368798 319276433 /nfs/dbraw/zinc/27/64/33/319276433.db2.gz CHZVNCMOFSRPHX-WMZOPIPTSA-N 1 3 346.500 2.857 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)N2CCCC2)cc1 ZINC000568370823 319276998 /nfs/dbraw/zinc/27/69/98/319276998.db2.gz RFWRIIIWUQUWBK-WDSOQIARSA-N 1 3 344.503 2.511 20 0 EFADHO CCc1cccc(OC[C@@H](O)CNCc2cccc(C[NH+](C)C)c2)c1 ZINC000568382315 319277801 /nfs/dbraw/zinc/27/78/01/319277801.db2.gz YWWFJQIQOBXRBI-FQEVSTJZSA-N 1 3 342.483 2.840 20 0 EFADHO OC[C@H](CC1CCCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568499286 319289708 /nfs/dbraw/zinc/28/97/08/319289708.db2.gz CZWBBJFLNMBHSU-ILZDJORESA-N 1 3 330.472 2.773 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000568569751 319295220 /nfs/dbraw/zinc/29/52/20/319295220.db2.gz BHMWKAAPVDEWDI-UHFFFAOYSA-N 1 3 335.439 2.884 20 0 EFADHO CC[C@H]1C[C@@H](C)CN1C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000568660904 319307170 /nfs/dbraw/zinc/30/71/70/319307170.db2.gz BAXBAXCQYNWDNR-AEFFLSMTSA-N 1 3 335.536 2.830 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N(C)C3CC(C)(C)C3)CC2)CC1 ZINC000568779759 319318336 /nfs/dbraw/zinc/31/83/36/319318336.db2.gz QFMFBFVQCDLYGU-UHFFFAOYSA-N 1 3 335.536 2.830 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C4CC4)CCC3)CC2)CC1 ZINC000568780631 319318673 /nfs/dbraw/zinc/31/86/73/319318673.db2.gz SGUHZDOQMXIRCO-UHFFFAOYSA-N 1 3 347.547 2.879 20 0 EFADHO COc1cccc(CCN[C@H](Cc2ccccc2)[C@H](C)[NH3+])c1OC ZINC000568987613 319337806 /nfs/dbraw/zinc/33/78/06/319337806.db2.gz DZJMXPBEFAINJB-MAUKXSAKSA-N 1 3 328.456 2.794 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000569212690 319358871 /nfs/dbraw/zinc/35/88/71/319358871.db2.gz GTAIFTDVYMCXQD-INIZCTEOSA-N 1 3 340.895 2.932 20 0 EFADHO CCc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)CN2CCCC2)c1 ZINC000569232305 319361121 /nfs/dbraw/zinc/36/11/21/319361121.db2.gz SOGPWMFSOBTFCY-GOSISDBHSA-N 1 3 334.504 2.700 20 0 EFADHO C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)N1CCCCC1 ZINC000569594209 319395887 /nfs/dbraw/zinc/39/58/87/319395887.db2.gz GERJDIRUTIMZPF-DLBZAZTESA-N 1 3 345.487 2.762 20 0 EFADHO CCc1ccccc1[C@H](N)CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000569983773 319433456 /nfs/dbraw/zinc/43/34/56/319433456.db2.gz CHNSKPHHSXLQNE-LJQANCHMSA-N 1 3 344.503 2.565 20 0 EFADHO CC[C@@H](C)N[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)c1ccco1 ZINC000570959980 319529544 /nfs/dbraw/zinc/52/95/44/319529544.db2.gz JSPBKFBVWOPRFD-PBHICJAKSA-N 1 3 344.459 2.667 20 0 EFADHO COc1cccc(CC[NH2+][C@H](C)c2ccc(CN)nc2C)c1OC ZINC000571038404 319535768 /nfs/dbraw/zinc/53/57/68/319535768.db2.gz VHQPZROVAOKUQE-CYBMUJFWSA-N 1 3 329.444 2.759 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000572861542 319711954 /nfs/dbraw/zinc/71/19/54/319711954.db2.gz UDYFNVQJOPYXIH-UHFFFAOYSA-N 1 3 331.504 2.808 20 0 EFADHO C[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000573319644 319754568 /nfs/dbraw/zinc/75/45/68/319754568.db2.gz WKHGOMHBWYVXPT-BZUAXINKSA-N 1 3 335.517 2.635 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CNCC[C@@H]1c1ccc(F)cc1)C(C)(C)n1cncn1 ZINC000573953133 319815127 /nfs/dbraw/zinc/81/51/27/319815127.db2.gz DZBXBBYJGMAYHC-UWWQBHOKSA-N 1 3 345.466 2.524 20 0 EFADHO C[C@H](N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1cc2ccccc2o1 ZINC000574749325 319891020 /nfs/dbraw/zinc/89/10/20/319891020.db2.gz LPPFHOLKKGMWBH-OWZDWXTDSA-N 1 3 341.455 2.730 20 0 EFADHO CC(C)(C)N1CCC([NH2+]C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000576696568 320039687 /nfs/dbraw/zinc/03/96/87/320039687.db2.gz LIPFKPGEAFMMDA-INIZCTEOSA-N 1 3 345.487 2.760 20 0 EFADHO C[NH+](C)CCCCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000576724332 320043009 /nfs/dbraw/zinc/04/30/09/320043009.db2.gz UDSWOROANNVVEQ-UHFFFAOYSA-N 1 3 349.544 2.948 20 0 EFADHO C[NH+](C)CCCC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000576765218 320046800 /nfs/dbraw/zinc/04/68/00/320046800.db2.gz JARCYMRLGHUHBS-NRFANRHFSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2CN2CCC(O)CC2)C[C@H](C)O1 ZINC000576934838 320061615 /nfs/dbraw/zinc/06/16/15/320061615.db2.gz MDXFCAGKWLKQAS-MNZLEMJZSA-N 1 3 332.488 2.689 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)N2CCCC2)cc1 ZINC000577163645 320082874 /nfs/dbraw/zinc/08/28/74/320082874.db2.gz HLSJFVLDTNOQDK-QRQLOZEOSA-N 1 3 344.503 2.572 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])N(C)C)cc1 ZINC000577217725 320089497 /nfs/dbraw/zinc/08/94/97/320089497.db2.gz QPIXYMJKACWFSY-QRVBRYPASA-N 1 3 331.504 2.876 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527658 320119965 /nfs/dbraw/zinc/11/99/65/320119965.db2.gz RSIRIRHOGHYZKV-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000577527658 320119966 /nfs/dbraw/zinc/11/99/66/320119966.db2.gz RSIRIRHOGHYZKV-MSOLQXFVSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CCC[C@H](C)C1 ZINC000578035703 320167392 /nfs/dbraw/zinc/16/73/92/320167392.db2.gz XQFXPNFZEDPKNF-DLBZAZTESA-N 1 3 331.504 2.641 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000578122171 320175340 /nfs/dbraw/zinc/17/53/40/320175340.db2.gz YDEKZTVJFRDRBY-GPMSIDNRSA-N 1 3 344.503 2.652 20 0 EFADHO CC[C@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000578152532 320178790 /nfs/dbraw/zinc/17/87/90/320178790.db2.gz ZBYSJXVVMNXWPS-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000578353456 320198469 /nfs/dbraw/zinc/19/84/69/320198469.db2.gz FUTIAVQBOJABPX-QKLQHJQFSA-N 1 3 343.515 2.748 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000578353456 320198471 /nfs/dbraw/zinc/19/84/71/320198471.db2.gz FUTIAVQBOJABPX-QKLQHJQFSA-N 1 3 343.515 2.748 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CCN(C)C)CC2)C1(CC)CC ZINC000181467456 323235506 /nfs/dbraw/zinc/23/55/06/323235506.db2.gz CYYJPVFEDHLELY-ROUUACIJSA-N 1 3 325.541 2.586 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000181493143 323236449 /nfs/dbraw/zinc/23/64/49/323236449.db2.gz VBGHJJCXOHTRKU-OALUTQOASA-N 1 3 339.568 2.833 20 0 EFADHO CCCCO[C@H]1C[C@H]([NH2+]CCCN2CCCN(C)CC2)C1(C)C ZINC000181705673 323245486 /nfs/dbraw/zinc/24/54/86/323245486.db2.gz RVUHLRATTZTQHD-ROUUACIJSA-N 1 3 325.541 2.587 20 0 EFADHO CCC1(CC)[C@@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C[C@@H]1OC ZINC000182091424 323263332 /nfs/dbraw/zinc/26/33/32/323263332.db2.gz JBONISZFDXLOGQ-IRXDYDNUSA-N 1 3 335.492 2.705 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)CC1 ZINC000183183177 323322104 /nfs/dbraw/zinc/32/21/04/323322104.db2.gz NFMWEEQNMJPCEF-YLJYHZDGSA-N 1 3 330.520 2.719 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000183183177 323322108 /nfs/dbraw/zinc/32/21/08/323322108.db2.gz NFMWEEQNMJPCEF-YLJYHZDGSA-N 1 3 330.520 2.719 20 0 EFADHO CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000183567284 323341754 /nfs/dbraw/zinc/34/17/54/323341754.db2.gz RZXYGRASSUCXKP-PZJWPPBQSA-N 1 3 345.531 2.554 20 0 EFADHO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000183793891 323348737 /nfs/dbraw/zinc/34/87/37/323348737.db2.gz AVTJLDXUCOMXOH-VQIMIIECSA-N 1 3 331.504 2.894 20 0 EFADHO CC1CCC(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000192556204 323476365 /nfs/dbraw/zinc/47/63/65/323476365.db2.gz STJJGIHVEZJEBA-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000579688915 324011183 /nfs/dbraw/zinc/01/11/83/324011183.db2.gz BNMMTIQPLNRBFE-QGZVFWFLSA-N 1 3 346.475 2.555 20 0 EFADHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)CNCCO2 ZINC000579688915 324011188 /nfs/dbraw/zinc/01/11/88/324011188.db2.gz BNMMTIQPLNRBFE-QGZVFWFLSA-N 1 3 346.475 2.555 20 0 EFADHO C[C@@H](CC[NH+](C)C)NCCC(=O)Nc1ccc(Br)cc1 ZINC000579801361 324032310 /nfs/dbraw/zinc/03/23/10/324032310.db2.gz LNQFDCTYHKOGEZ-LBPRGKRZSA-N 1 3 342.281 2.708 20 0 EFADHO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc2c(c1)CNCC2 ZINC000579932599 324060329 /nfs/dbraw/zinc/06/03/29/324060329.db2.gz NXVPXMXOYQUAPA-IBGZPJMESA-N 1 3 344.503 2.964 20 0 EFADHO C[C@H]1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000580022436 324076725 /nfs/dbraw/zinc/07/67/25/324076725.db2.gz ILQOQEOJOZSKQH-KRWDZBQOSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000580187304 324116634 /nfs/dbraw/zinc/11/66/34/324116634.db2.gz NOOQEHLWVKDAFL-IXDOHACOSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@@H](NC1CC1)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000580187304 324116636 /nfs/dbraw/zinc/11/66/36/324116636.db2.gz NOOQEHLWVKDAFL-IXDOHACOSA-N 1 3 343.515 2.921 20 0 EFADHO CC[NH+]1CCC(CNCc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000580219013 324123772 /nfs/dbraw/zinc/12/37/72/324123772.db2.gz JGRRVSYZSFMQSC-UHFFFAOYSA-N 1 3 327.476 2.706 20 0 EFADHO COc1cccc2c(C[NH2+]CCCCN3CCN(C)CC3)cccc12 ZINC000580276742 324128839 /nfs/dbraw/zinc/12/88/39/324128839.db2.gz HKRQKIGZOKNRJM-UHFFFAOYSA-N 1 3 341.499 2.966 20 0 EFADHO [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3cnn(-c4ccccc4)c3)CC2)C1 ZINC000580409220 324156605 /nfs/dbraw/zinc/15/66/05/324156605.db2.gz HJAYELZWWKSJKW-AZUAARDMSA-N 1 3 340.471 2.591 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1cccc(OC)c1 ZINC000580555516 324187737 /nfs/dbraw/zinc/18/77/37/324187737.db2.gz PKDHGJPQCQITSZ-MOPGFXCFSA-N 1 3 347.503 2.727 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2)cc1 ZINC000580714755 324219703 /nfs/dbraw/zinc/21/97/03/324219703.db2.gz BDAKCFJHEOBAFP-CQSZACIVSA-N 1 3 347.484 2.758 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000581071117 324299566 /nfs/dbraw/zinc/29/95/66/324299566.db2.gz LJVMTRYGECCGLD-ORPJZTTNSA-N 1 3 333.520 2.519 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(CC[NH3+])CC1)N(C)C ZINC000581077409 324300791 /nfs/dbraw/zinc/30/07/91/324300791.db2.gz LLELXAMZAMXUPF-LPHOPBHVSA-N 1 3 346.519 2.757 20 0 EFADHO [NH3+]C[C@H]1CCCC[C@H]1Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000581304569 324347414 /nfs/dbraw/zinc/34/74/14/324347414.db2.gz NMRTWHVZOJXRKX-UYAOXDASSA-N 1 3 331.504 2.820 20 0 EFADHO C[C@H]1C[C@@H]([NH3+])CCN1CCC(=O)Nc1ccc(Br)cc1 ZINC000581437004 324378011 /nfs/dbraw/zinc/37/80/11/324378011.db2.gz UFEBRZKRLFERAK-AAEUAGOBSA-N 1 3 340.265 2.589 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000582404838 324586751 /nfs/dbraw/zinc/58/67/51/324586751.db2.gz ZOMLFNCRULATCG-UHFFFAOYSA-N 1 3 345.487 2.960 20 0 EFADHO Brc1ccc(-c2c[nH]c(CNCC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000583487494 324820174 /nfs/dbraw/zinc/82/01/74/324820174.db2.gz WOZSQHVFTIXKMR-LBPRGKRZSA-N 1 3 349.276 2.928 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000583505154 324824057 /nfs/dbraw/zinc/82/40/57/324824057.db2.gz UQLWLVKGNVHYLM-IBGZPJMESA-N 1 3 346.519 2.840 20 0 EFADHO CN(C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000042910126 472181535 /nfs/dbraw/zinc/18/15/35/472181535.db2.gz FMLVWBRRXISRJZ-KRWDZBQOSA-N 1 3 346.519 2.898 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000113515150 473398694 /nfs/dbraw/zinc/39/86/94/473398694.db2.gz GKYVWOZMDXYKSR-JKSUJKDBSA-N 1 3 325.497 2.517 20 0 EFADHO CN(C)[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000124086322 473211045 /nfs/dbraw/zinc/21/10/45/473211045.db2.gz PCUOASFCJLMNQN-KRWDZBQOSA-N 1 3 346.519 2.898 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000111493896 473215549 /nfs/dbraw/zinc/21/55/49/473215549.db2.gz YNFDEMDTAJFZFK-KRWDZBQOSA-N 1 3 334.508 2.536 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000111493896 473215554 /nfs/dbraw/zinc/21/55/54/473215554.db2.gz YNFDEMDTAJFZFK-KRWDZBQOSA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111493735 473215912 /nfs/dbraw/zinc/21/59/12/473215912.db2.gz DWFAIHHDVBMCNZ-DLBZAZTESA-N 1 3 334.508 2.536 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000111493735 473215913 /nfs/dbraw/zinc/21/59/13/473215913.db2.gz DWFAIHHDVBMCNZ-DLBZAZTESA-N 1 3 334.508 2.536 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000111832032 473229847 /nfs/dbraw/zinc/22/98/47/473229847.db2.gz CWGKODOUCNMTIT-MSOLQXFVSA-N 1 3 346.519 2.538 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)NCCN2CCC(C)CC2)c1 ZINC000140557778 473247139 /nfs/dbraw/zinc/24/71/39/473247139.db2.gz XIFYUIATHZQOLK-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)NCCN2CCC(C)CC2)c1 ZINC000140557778 473247141 /nfs/dbraw/zinc/24/71/41/473247141.db2.gz XIFYUIATHZQOLK-UHFFFAOYSA-N 1 3 346.519 2.669 20 0 EFADHO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(OCCN(C)C)cc1 ZINC000161724240 473256654 /nfs/dbraw/zinc/25/66/54/473256654.db2.gz RVICORFGKBNMTK-INIZCTEOSA-N 1 3 348.487 2.963 20 0 EFADHO CCC[NH+]1CCC(N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000161769074 473261627 /nfs/dbraw/zinc/26/16/27/473261627.db2.gz FABHCHWRMUXQTQ-MRXNPFEDSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694053 468069670 /nfs/dbraw/zinc/06/96/70/468069670.db2.gz BSXJYEGHYBXOSK-GJYPPUQNSA-N 1 3 339.487 2.874 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCNc1ccc(-c2ccccc2)nn1 ZINC000531694053 468069674 /nfs/dbraw/zinc/06/96/74/468069674.db2.gz BSXJYEGHYBXOSK-GJYPPUQNSA-N 1 3 339.487 2.874 20 0 EFADHO Cn1nccc1CNCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000176985362 473280600 /nfs/dbraw/zinc/28/06/00/473280600.db2.gz SWANFZWSUCGBAL-UHFFFAOYSA-N 1 3 342.487 2.581 20 0 EFADHO C[NH+](C)C1CCN(CCNCc2cccc3c2OC(C)(C)C3)CC1 ZINC000176989962 473280675 /nfs/dbraw/zinc/28/06/75/473280675.db2.gz QKSRDNIWJBLVFV-UHFFFAOYSA-N 1 3 331.504 2.516 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000184974825 473288356 /nfs/dbraw/zinc/28/83/56/473288356.db2.gz HECWXMDCEYDJGG-NEWSRXKRSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000184974825 473288365 /nfs/dbraw/zinc/28/83/65/473288365.db2.gz HECWXMDCEYDJGG-NEWSRXKRSA-N 1 3 329.488 2.670 20 0 EFADHO CCCN1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000177052166 473294548 /nfs/dbraw/zinc/29/45/48/473294548.db2.gz DESJWILAGPNSNQ-MRXNPFEDSA-N 1 3 340.895 2.886 20 0 EFADHO CCCN1CCC([N@H+](C)C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000177052166 473294542 /nfs/dbraw/zinc/29/45/42/473294542.db2.gz DESJWILAGPNSNQ-MRXNPFEDSA-N 1 3 340.895 2.886 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCC2)N(C)C)cc1 ZINC000112740460 473307441 /nfs/dbraw/zinc/30/74/41/473307441.db2.gz XDOVSYXUWOKJEH-IBGZPJMESA-N 1 3 346.519 2.589 20 0 EFADHO CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCN2CCCC2)c1 ZINC000112742693 473308864 /nfs/dbraw/zinc/30/88/64/473308864.db2.gz MOCSBLKNWDCPLF-UHFFFAOYSA-N 1 3 346.519 2.766 20 0 EFADHO COc1ccccc1NC(=O)C1CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000124914666 473325251 /nfs/dbraw/zinc/32/52/51/473325251.db2.gz JQXMCDCADCGABB-KRWDZBQOSA-N 1 3 345.487 2.830 20 0 EFADHO CN1CCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000124998335 473339547 /nfs/dbraw/zinc/33/95/47/473339547.db2.gz RKHFFSFIAIESGC-GOSISDBHSA-N 1 3 330.476 2.757 20 0 EFADHO CC1(C[NH2+][C@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)OCCCO1 ZINC000190658570 473351460 /nfs/dbraw/zinc/35/14/60/473351460.db2.gz GBQAEERZWLMFES-FHWLQOOXSA-N 1 3 330.472 2.640 20 0 EFADHO CN1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000125091973 473354784 /nfs/dbraw/zinc/35/47/84/473354784.db2.gz WBBMHNRQODQBGL-SFHVURJKSA-N 1 3 333.451 2.961 20 0 EFADHO COc1cc(OC)cc(OCCC[N@H+](C)CC[C@H]2CCCN2C)c1 ZINC000125176307 473369441 /nfs/dbraw/zinc/36/94/41/473369441.db2.gz DQAGFUBMPIOLOH-MRXNPFEDSA-N 1 3 336.476 2.889 20 0 EFADHO COc1cc(OC)cc(OCCC[N@@H+](C)CC[C@H]2CCCN2C)c1 ZINC000125176307 473369442 /nfs/dbraw/zinc/36/94/42/473369442.db2.gz DQAGFUBMPIOLOH-MRXNPFEDSA-N 1 3 336.476 2.889 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)oc1C ZINC000162723064 473374408 /nfs/dbraw/zinc/37/44/08/473374408.db2.gz UVDMHVMIZRGHJW-RDTXWAMCSA-N 1 3 334.508 2.576 20 0 EFADHO Cc1nc(CN2CCC(C[NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)oc1C ZINC000162723198 473374614 /nfs/dbraw/zinc/37/46/14/473374614.db2.gz UVDMHVMIZRGHJW-KDOFPFPSSA-N 1 3 334.508 2.576 20 0 EFADHO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCCN(C)C)c2)C1(C)C ZINC000185249945 473377846 /nfs/dbraw/zinc/37/78/46/473377846.db2.gz IZWYBSABCOKIEW-DLBZAZTESA-N 1 3 335.492 2.704 20 0 EFADHO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2CN2CC[C@H](O)C2)C1(C)C ZINC000185262104 473380418 /nfs/dbraw/zinc/38/04/18/473380418.db2.gz XPPYVBDDBBUANE-ZCNNSNEGSA-N 1 3 346.515 2.935 20 0 EFADHO COc1cc(C)c([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1OC ZINC000150953428 473387034 /nfs/dbraw/zinc/38/70/34/473387034.db2.gz SFQJWNRVSCIDGE-INIZCTEOSA-N 1 3 349.519 2.689 20 0 EFADHO CCOC(=O)CCC[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177491035 473388033 /nfs/dbraw/zinc/38/80/33/473388033.db2.gz DBLHRZKANPQNBS-IRXDYDNUSA-N 1 3 340.508 2.541 20 0 EFADHO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000150973574 473388934 /nfs/dbraw/zinc/38/89/34/473388934.db2.gz XTDREGULKQNRHM-IRXDYDNUSA-N 1 3 333.520 2.714 20 0 EFADHO C[C@@H]1CN(CCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000177505683 473390576 /nfs/dbraw/zinc/39/05/76/473390576.db2.gz VYBCUEABAJUBKH-UEXGIBASSA-N 1 3 346.515 2.931 20 0 EFADHO CC(=O)Nc1cccc(C[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000631075021 479879146 /nfs/dbraw/zinc/87/91/46/479879146.db2.gz NBZKYGIRHWDLLJ-HZPDHXFCSA-N 1 3 333.476 2.624 20 0 EFADHO CC(=O)N1CCC[C@H](C[NH2+]C2CCN([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000355413484 475917195 /nfs/dbraw/zinc/91/71/95/475917195.db2.gz MAPXKXINDSDUQK-POAQFYNOSA-N 1 3 335.536 2.878 20 0 EFADHO CC(=O)N1CCC[C@H](CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000355413484 475917203 /nfs/dbraw/zinc/91/72/03/475917203.db2.gz MAPXKXINDSDUQK-POAQFYNOSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000388343398 476776843 /nfs/dbraw/zinc/77/68/43/476776843.db2.gz YCORIVMJQGOQEZ-GHTZIAJQSA-N 1 3 349.478 2.512 20 0 EFADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CNCc2ccccc21 ZINC000388343398 476776849 /nfs/dbraw/zinc/77/68/49/476776849.db2.gz YCORIVMJQGOQEZ-GHTZIAJQSA-N 1 3 349.478 2.512 20 0 EFADHO C[C@H](CCC[NH3+])N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000422798462 476781169 /nfs/dbraw/zinc/78/11/69/476781169.db2.gz RFBDJUADNOGVHN-DNVCBOLYSA-N 1 3 346.496 2.897 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000422799752 476781189 /nfs/dbraw/zinc/78/11/89/476781189.db2.gz YGYLNMASOIDHOZ-OWSLCNJRSA-N 1 3 325.541 2.775 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])Oc1ccc(Br)cc1 ZINC000422798884 476781685 /nfs/dbraw/zinc/78/16/85/476781685.db2.gz TYIFKLAHDFETDF-TYNCELHUSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CN)Oc1ccc(Br)cc1 ZINC000422798884 476781690 /nfs/dbraw/zinc/78/16/90/476781690.db2.gz TYIFKLAHDFETDF-TYNCELHUSA-N 1 3 327.266 2.933 20 0 EFADHO Clc1cccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422836216 476800551 /nfs/dbraw/zinc/80/05/51/476800551.db2.gz JPUPQOPLUXWNKB-GDAAHCPNSA-N 1 3 349.906 2.665 20 0 EFADHO C[C@@H]1CCC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CN ZINC000430556176 476857877 /nfs/dbraw/zinc/85/78/77/476857877.db2.gz KAWVJNABQHKZQC-IUODEOHRSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]1CN ZINC000430556176 476857885 /nfs/dbraw/zinc/85/78/85/476857885.db2.gz KAWVJNABQHKZQC-IUODEOHRSA-N 1 3 334.851 2.992 20 0 EFADHO CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416827458 477326440 /nfs/dbraw/zinc/32/64/40/477326440.db2.gz CRQHXPFHCDHSTD-GJZGRUSLSA-N 1 3 338.521 2.558 20 0 EFADHO CC(C)O[C@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000451496835 478053222 /nfs/dbraw/zinc/05/32/22/478053222.db2.gz KNFNKEZDRCGJJC-MSOLQXFVSA-N 1 3 325.541 2.584 20 0 EFADHO CCCN1CC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000619897422 479913188 /nfs/dbraw/zinc/91/31/88/479913188.db2.gz KWMOVNAZTBNITN-IBGZPJMESA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000619904692 479916931 /nfs/dbraw/zinc/91/69/31/479916931.db2.gz MYIOITIRUNULDJ-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000619904692 479916935 /nfs/dbraw/zinc/91/69/35/479916935.db2.gz MYIOITIRUNULDJ-IBGZPJMESA-N 1 3 329.488 2.887 20 0 EFADHO C[C@@H]1CN(CCCC[NH2+]Cc2cccc3c2OCCCO3)C[C@H](C)O1 ZINC000067452606 472035615 /nfs/dbraw/zinc/03/56/15/472035615.db2.gz XUPIHFYPWNQHOH-CALCHBBNSA-N 1 3 348.487 2.827 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000067679447 472070216 /nfs/dbraw/zinc/07/02/16/472070216.db2.gz KHYIYJIFEPQGFC-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC000067679447 472070220 /nfs/dbraw/zinc/07/02/20/472070220.db2.gz KHYIYJIFEPQGFC-MJGOQNOKSA-N 1 3 346.519 2.629 20 0 EFADHO C[C@@H](NC(=O)NCc1cccc(CN(C)C)c1)C(C)(C)C[NH+](C)C ZINC000085358950 472238932 /nfs/dbraw/zinc/23/89/32/472238932.db2.gz HZKSZMUZUXRTCG-OAHLLOKOSA-N 1 3 334.508 2.524 20 0 EFADHO C[NH+]1CCC(CNCc2cc3c(cc2Br)OCO3)CC1 ZINC000044516316 472313594 /nfs/dbraw/zinc/31/35/94/472313594.db2.gz XDSRWRXVYBMYPO-UHFFFAOYSA-N 1 3 341.249 2.609 20 0 EFADHO COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000044533904 472314719 /nfs/dbraw/zinc/31/47/19/472314719.db2.gz WKGJPUIJRBEKBX-GFCCVEGCSA-N 1 3 327.266 2.889 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000069451968 472346990 /nfs/dbraw/zinc/34/69/90/472346990.db2.gz SRBYODDMNUKZRQ-QKLQHJQFSA-N 1 3 332.488 2.541 20 0 EFADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000056785692 472351730 /nfs/dbraw/zinc/35/17/30/472351730.db2.gz WDWDUYDYECHAGP-HUUCEWRRSA-N 1 3 338.540 2.715 20 0 EFADHO CC[NH+](CC)CCCNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000045027156 472365546 /nfs/dbraw/zinc/36/55/46/472365546.db2.gz MALYZMJSTIEBTJ-UHFFFAOYSA-N 1 3 346.519 2.682 20 0 EFADHO C[NH+](C)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000057170984 472390069 /nfs/dbraw/zinc/39/00/69/472390069.db2.gz LXRBQWHMBJHBNX-UHFFFAOYSA-N 1 3 343.515 2.889 20 0 EFADHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057171445 472390649 /nfs/dbraw/zinc/39/06/49/472390649.db2.gz HFNYHMFSZWJGEP-LJQANCHMSA-N 1 3 329.488 2.501 20 0 EFADHO O=C(NCCN1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057171445 472390654 /nfs/dbraw/zinc/39/06/54/472390654.db2.gz HFNYHMFSZWJGEP-LJQANCHMSA-N 1 3 329.488 2.501 20 0 EFADHO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)o1 ZINC000076761947 472399505 /nfs/dbraw/zinc/39/95/05/472399505.db2.gz PVIBYMRWDQDHMI-HNNXBMFYSA-N 1 3 344.459 2.569 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116434188 472407457 /nfs/dbraw/zinc/40/74/57/472407457.db2.gz OYESVLNSJQSMHX-KRWDZBQOSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116434188 472407462 /nfs/dbraw/zinc/40/74/62/472407462.db2.gz OYESVLNSJQSMHX-KRWDZBQOSA-N 1 3 346.519 2.851 20 0 EFADHO O=C([C@H]1CCCN1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000128155742 472410317 /nfs/dbraw/zinc/41/03/17/472410317.db2.gz JJYJAAGDYGMHPM-WOJBJXKFSA-N 1 3 341.499 2.595 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@H]3CC[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000097038885 472419603 /nfs/dbraw/zinc/41/96/03/472419603.db2.gz HNFIEQNNVUZBRE-PXNSSMCTSA-N 1 3 330.520 2.969 20 0 EFADHO CC(C)N1CCN(c2cccc(N[C@H]3CC[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000097038885 472419607 /nfs/dbraw/zinc/41/96/07/472419607.db2.gz HNFIEQNNVUZBRE-PXNSSMCTSA-N 1 3 330.520 2.969 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cccc(OC(F)F)c1 ZINC000154378005 472424839 /nfs/dbraw/zinc/42/48/39/472424839.db2.gz CGWLCLRRGOQMID-OAHLLOKOSA-N 1 3 341.446 2.966 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)/C=C/CN(C)C)cc2)CC1 ZINC000069778246 472430207 /nfs/dbraw/zinc/43/02/07/472430207.db2.gz TUXISPBWQKZWIV-SNAWJCMRSA-N 1 3 329.488 2.653 20 0 EFADHO COc1ccc(CC[C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128295401 472431942 /nfs/dbraw/zinc/43/19/42/472431942.db2.gz IIRHDGGSAODMGP-SFHVURJKSA-N 1 3 333.520 2.634 20 0 EFADHO COc1ccc(CC[C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128295648 472432103 /nfs/dbraw/zinc/43/21/03/472432103.db2.gz IIRHDGGSAODMGP-GOSISDBHSA-N 1 3 333.520 2.634 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000633765703 479987189 /nfs/dbraw/zinc/98/71/89/479987189.db2.gz DAQYGUOQBQGGLN-GJZGRUSLSA-N 1 3 345.409 2.765 20 0 EFADHO CC[C@H](C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000633765704 479987286 /nfs/dbraw/zinc/98/72/86/479987286.db2.gz DAQYGUOQBQGGLN-HUUCEWRRSA-N 1 3 345.409 2.765 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154625404 472452541 /nfs/dbraw/zinc/45/25/41/472452541.db2.gz JBZBYHQNTPXJTJ-HOTGVXAUSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CNC3CC3)cc2)C1 ZINC000154625512 472453464 /nfs/dbraw/zinc/45/34/64/472453464.db2.gz JBZBYHQNTPXJTJ-HZPDHXFCSA-N 1 3 329.488 2.533 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[N@H+](C)C1CC1 ZINC000057700824 472463474 /nfs/dbraw/zinc/46/34/74/472463474.db2.gz RDXFTILFUAPIPA-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)[N@@H+](C)C1CC1 ZINC000057700824 472463479 /nfs/dbraw/zinc/46/34/79/472463479.db2.gz RDXFTILFUAPIPA-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000089597463 472464276 /nfs/dbraw/zinc/46/42/76/472464276.db2.gz AXMONIFFCPJTTI-QZTJIDSGSA-N 1 3 327.472 2.572 20 0 EFADHO O=C(CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc21 ZINC000089597463 472464282 /nfs/dbraw/zinc/46/42/82/472464282.db2.gz AXMONIFFCPJTTI-QZTJIDSGSA-N 1 3 327.472 2.572 20 0 EFADHO Cc1cc(F)ccc1-c1ccc(CNCC2(O)CC[NH+](C)CC2)o1 ZINC000077450343 472529163 /nfs/dbraw/zinc/52/91/63/472529163.db2.gz PUJOPAJYQAEAOF-UHFFFAOYSA-N 1 3 332.419 2.940 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119145833 472531314 /nfs/dbraw/zinc/53/13/14/472531314.db2.gz UJFDRAOTZZSEFD-CVEARBPZSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+](C)C2CCCCC2)CN1C1CC1 ZINC000119145833 472531321 /nfs/dbraw/zinc/53/13/21/472531321.db2.gz UJFDRAOTZZSEFD-CVEARBPZSA-N 1 3 336.524 2.565 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000155556138 472568936 /nfs/dbraw/zinc/56/89/36/472568936.db2.gz QBEPRSXIEXSOKS-RHSMWYFYSA-N 1 3 337.508 2.978 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000119683537 472574980 /nfs/dbraw/zinc/57/49/80/472574980.db2.gz PZDYMOFRSBQPCC-UHFFFAOYSA-N 1 3 334.508 2.941 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000155599872 472577807 /nfs/dbraw/zinc/57/78/07/472577807.db2.gz BWYKQZUSINEPKP-YJBOKZPZSA-N 1 3 335.467 2.655 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)C ZINC000102545697 472581807 /nfs/dbraw/zinc/58/18/07/472581807.db2.gz UDATVJVLZKJAJN-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(C)C ZINC000102545697 472581815 /nfs/dbraw/zinc/58/18/15/472581815.db2.gz UDATVJVLZKJAJN-LJQANCHMSA-N 1 3 346.519 2.853 20 0 EFADHO CC[N@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000102563133 472581991 /nfs/dbraw/zinc/58/19/91/472581991.db2.gz KPYUZOMTRKUANY-GOSISDBHSA-N 1 3 334.508 2.627 20 0 EFADHO CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(C)C ZINC000102563133 472581994 /nfs/dbraw/zinc/58/19/94/472581994.db2.gz KPYUZOMTRKUANY-GOSISDBHSA-N 1 3 334.508 2.627 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000155633424 472584245 /nfs/dbraw/zinc/58/42/45/472584245.db2.gz NGBVHJRLVZFICN-GJZGRUSLSA-N 1 3 341.446 2.965 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729245 472604716 /nfs/dbraw/zinc/60/47/16/472604716.db2.gz RFRZNQXWYDBRMQ-NBMJBFSESA-N 1 3 331.504 2.871 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155729245 472604719 /nfs/dbraw/zinc/60/47/19/472604719.db2.gz RFRZNQXWYDBRMQ-NBMJBFSESA-N 1 3 331.504 2.871 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H]3CCO[C@H]3C)CC2)c1 ZINC000120011866 472615274 /nfs/dbraw/zinc/61/52/74/472615274.db2.gz OMOHOAVRIQGLRN-AZUAARDMSA-N 1 3 331.504 2.664 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+][C@H]3CCO[C@H]3C)CC2)c1 ZINC000120012026 472615827 /nfs/dbraw/zinc/61/58/27/472615827.db2.gz OMOHOAVRIQGLRN-ICSRJNTNSA-N 1 3 331.504 2.664 20 0 EFADHO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)NCCC[NH+](C)C ZINC000120034947 472619785 /nfs/dbraw/zinc/61/97/85/472619785.db2.gz JJKYRUAOERDBHU-GFCCVEGCSA-N 1 3 331.382 2.964 20 0 EFADHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(F)c2)CC1 ZINC000071920052 472620758 /nfs/dbraw/zinc/62/07/58/472620758.db2.gz SQNKLDRDEWMHGC-UHFFFAOYSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000090773213 472654972 /nfs/dbraw/zinc/65/49/72/472654972.db2.gz IXXOIFNPAPUZHA-HXUWFJFHSA-N 1 3 330.520 2.756 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1CNC1CCN(Cc2cccnc2)CC1 ZINC000090773213 472654978 /nfs/dbraw/zinc/65/49/78/472654978.db2.gz IXXOIFNPAPUZHA-HXUWFJFHSA-N 1 3 330.520 2.756 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000090945329 472668332 /nfs/dbraw/zinc/66/83/32/472668332.db2.gz QTFUBVCVDFHUNT-VDERGJSUSA-N 1 3 325.497 2.608 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000090945329 472668339 /nfs/dbraw/zinc/66/83/39/472668339.db2.gz QTFUBVCVDFHUNT-VDERGJSUSA-N 1 3 325.497 2.608 20 0 EFADHO COc1ccc2c(c1)OC[C@@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000090965059 472668397 /nfs/dbraw/zinc/66/83/97/472668397.db2.gz VLPGGIJJWGMGEJ-KRWDZBQOSA-N 1 3 330.472 2.995 20 0 EFADHO COc1ccc2c(c1)OC[C@H]([NH2+]C1CCN(C3CCCC3)CC1)C2 ZINC000090965058 472668746 /nfs/dbraw/zinc/66/87/46/472668746.db2.gz VLPGGIJJWGMGEJ-QGZVFWFLSA-N 1 3 330.472 2.995 20 0 EFADHO Cc1ccc2ncc(C[NH2+]CCCCN3C[C@@H](C)O[C@@H](C)C3)n2c1 ZINC000156224638 472679199 /nfs/dbraw/zinc/67/91/99/472679199.db2.gz UFBJOYHVCXWPOI-CALCHBBNSA-N 1 3 330.476 2.622 20 0 EFADHO COc1cccc(NC(=O)CCN(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000072585190 472682946 /nfs/dbraw/zinc/68/29/46/472682946.db2.gz HZGAYOMTUINZJS-UHFFFAOYSA-N 1 3 333.476 2.828 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)[C@H]1c1cccs1 ZINC000120433670 472688171 /nfs/dbraw/zinc/68/81/71/472688171.db2.gz NQVJXVKGPAKJQK-UWWQBHOKSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120594242 472716074 /nfs/dbraw/zinc/71/60/74/472716074.db2.gz DFTMVAGNNMFCGK-PBWTXFEYSA-N 1 3 332.488 2.981 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)N(C)C)cc1 ZINC000105083233 472719143 /nfs/dbraw/zinc/71/91/43/472719143.db2.gz OLBWQEVFBCZUNA-RBUKOAKNSA-N 1 3 346.519 2.587 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](N(C)C)C1)[NH+]1CCCC1 ZINC000105105391 472723494 /nfs/dbraw/zinc/72/34/94/472723494.db2.gz CCJXZRIYDSBHDJ-QZTJIDSGSA-N 1 3 338.540 2.623 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000156566995 472726766 /nfs/dbraw/zinc/72/67/66/472726766.db2.gz ZLTFUIXSOMZHBW-OALUTQOASA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000156566995 472726767 /nfs/dbraw/zinc/72/67/67/472726767.db2.gz ZLTFUIXSOMZHBW-OALUTQOASA-N 1 3 331.504 2.553 20 0 EFADHO CC(C)[NH+](CCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000047683036 472756684 /nfs/dbraw/zinc/75/66/84/472756684.db2.gz JZYCEFISXKSLMV-IBGZPJMESA-N 1 3 346.519 2.679 20 0 EFADHO CC(C)[NH+](CCNC(=O)NCc1cccc(CN(C)C)c1)C(C)C ZINC000047684019 472758112 /nfs/dbraw/zinc/75/81/12/472758112.db2.gz UCZJTSGGAIDGPT-UHFFFAOYSA-N 1 3 334.508 2.666 20 0 EFADHO CC1CCN([C@@H](CNC(=O)C2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000073024781 472760391 /nfs/dbraw/zinc/76/03/91/472760391.db2.gz QBKMSQQCQKZLNE-FQEVSTJZSA-N 1 3 343.515 2.918 20 0 EFADHO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCN(C(C)C)CC2)c(C)c1 ZINC000078804638 472772017 /nfs/dbraw/zinc/77/20/17/472772017.db2.gz RFVPGUBECTWZHX-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(C(C)C)CC2)c(C)c1 ZINC000078804638 472772023 /nfs/dbraw/zinc/77/20/23/472772023.db2.gz RFVPGUBECTWZHX-LJQANCHMSA-N 1 3 334.504 2.848 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157081770 472783369 /nfs/dbraw/zinc/78/33/69/472783369.db2.gz OYBFPUJSHYBGSZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157081770 472783376 /nfs/dbraw/zinc/78/33/76/472783376.db2.gz OYBFPUJSHYBGSZ-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO COc1cc(OC)c(CCN[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105334 472786515 /nfs/dbraw/zinc/78/65/15/472786515.db2.gz GFNCJDHMTANKDP-CPUCHLNUSA-N 1 3 336.476 2.573 20 0 EFADHO COc1cc(OC)c(CCN[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000157105334 472786519 /nfs/dbraw/zinc/78/65/19/472786519.db2.gz GFNCJDHMTANKDP-CPUCHLNUSA-N 1 3 336.476 2.573 20 0 EFADHO CN1CCC(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000073306647 472795980 /nfs/dbraw/zinc/79/59/80/472795980.db2.gz KUBZYINCAZRSIF-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CN1CCC(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000073306647 472795985 /nfs/dbraw/zinc/79/59/85/472795985.db2.gz KUBZYINCAZRSIF-UHFFFAOYSA-N 1 3 343.515 2.699 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157234006 472798690 /nfs/dbraw/zinc/79/86/90/472798690.db2.gz HEBQUBOTIWKRQY-LJQANCHMSA-N 1 3 346.519 2.525 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000157234006 472798694 /nfs/dbraw/zinc/79/86/94/472798694.db2.gz HEBQUBOTIWKRQY-LJQANCHMSA-N 1 3 346.519 2.525 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000073488990 472818506 /nfs/dbraw/zinc/81/85/06/472818506.db2.gz OWJWVYIJEKOXOF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000073488990 472818513 /nfs/dbraw/zinc/81/85/13/472818513.db2.gz OWJWVYIJEKOXOF-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C1 ZINC000133588817 472820132 /nfs/dbraw/zinc/82/01/32/472820132.db2.gz FKEITQSATBKARX-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000079123163 472823064 /nfs/dbraw/zinc/82/30/64/472823064.db2.gz JAYXTRHCSZQBLA-GOSISDBHSA-N 1 3 334.508 2.519 20 0 EFADHO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(CN2CCCC2)c1 ZINC000063916006 472826222 /nfs/dbraw/zinc/82/62/22/472826222.db2.gz ANJKCZXIOUIXPS-OALUTQOASA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(CN2CCCC2)c1 ZINC000063916006 472826227 /nfs/dbraw/zinc/82/62/27/472826227.db2.gz ANJKCZXIOUIXPS-OALUTQOASA-N 1 3 327.472 2.639 20 0 EFADHO CCN1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000073541766 472827031 /nfs/dbraw/zinc/82/70/31/472827031.db2.gz ICBQWBXCIQBJPA-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CSCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157490667 472827221 /nfs/dbraw/zinc/82/72/21/472827221.db2.gz XFVIAEVNIMYQHR-DOTOQJQBSA-N 1 3 341.565 2.570 20 0 EFADHO CSCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157490667 472827227 /nfs/dbraw/zinc/82/72/27/472827227.db2.gz XFVIAEVNIMYQHR-DOTOQJQBSA-N 1 3 341.565 2.570 20 0 EFADHO CSCC[C@@H](N)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157490522 472827658 /nfs/dbraw/zinc/82/76/58/472827658.db2.gz XFVIAEVNIMYQHR-NVXWUHKLSA-N 1 3 341.565 2.570 20 0 EFADHO CSCC[C@@H](N)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157490522 472827662 /nfs/dbraw/zinc/82/76/62/472827662.db2.gz XFVIAEVNIMYQHR-NVXWUHKLSA-N 1 3 341.565 2.570 20 0 EFADHO CN(C)CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000121290678 472830533 /nfs/dbraw/zinc/83/05/33/472830533.db2.gz YJBZRKFCCYXNHH-OTWHNJEPSA-N 1 3 330.472 2.674 20 0 EFADHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)N1CCCC[C@@H]1C ZINC000079265618 472840070 /nfs/dbraw/zinc/84/00/70/472840070.db2.gz FGNSFSUGCIYSFT-IRXDYDNUSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC[C@@H](C)C1 ZINC000073659099 472848189 /nfs/dbraw/zinc/84/81/89/472848189.db2.gz RZPKWSUKBDLDLR-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC[C@@H](C)C1 ZINC000073659099 472848192 /nfs/dbraw/zinc/84/81/92/472848192.db2.gz RZPKWSUKBDLDLR-SQNIBIBYSA-N 1 3 338.540 2.623 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000073713109 472859713 /nfs/dbraw/zinc/85/97/13/472859713.db2.gz CQPMRHZENAQDAW-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(CN(C)C)c2)C1 ZINC000073713109 472859720 /nfs/dbraw/zinc/85/97/20/472859720.db2.gz CQPMRHZENAQDAW-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CC(C)N1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000073895211 472895695 /nfs/dbraw/zinc/89/56/95/472895695.db2.gz OMRHZUOOFXTMBJ-KRWDZBQOSA-N 1 3 340.895 2.884 20 0 EFADHO CC(C)N1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000073895211 472895705 /nfs/dbraw/zinc/89/57/05/472895705.db2.gz OMRHZUOOFXTMBJ-KRWDZBQOSA-N 1 3 340.895 2.884 20 0 EFADHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146977 472898424 /nfs/dbraw/zinc/89/84/24/472898424.db2.gz LYJTZFROFCHNCY-IAGOWNOFSA-N 1 3 342.487 2.992 20 0 EFADHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000158146977 472898432 /nfs/dbraw/zinc/89/84/32/472898432.db2.gz LYJTZFROFCHNCY-IAGOWNOFSA-N 1 3 342.487 2.992 20 0 EFADHO C[C@@H](CNC(=O)NCc1ccc(CN(C)C)cc1)C[NH+]1CCCCC1 ZINC000079690618 472907688 /nfs/dbraw/zinc/90/76/88/472907688.db2.gz JXCGILGLVOVEHD-KRWDZBQOSA-N 1 3 346.519 2.669 20 0 EFADHO CC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CCC[NH2+]1 ZINC000134596729 472934849 /nfs/dbraw/zinc/93/48/49/472934849.db2.gz CUKNDNYHLRBTKE-UZLBHIALSA-N 1 3 329.488 2.860 20 0 EFADHO CC[C@@]1(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000134594828 472935127 /nfs/dbraw/zinc/93/51/27/472935127.db2.gz PJJUYJWKHKDCIV-KPFFTGBYSA-N 1 3 329.488 2.688 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000134615553 472939233 /nfs/dbraw/zinc/93/92/33/472939233.db2.gz CJXVVHAMPDEFLC-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CNC(=O)NCCCN(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000079912617 472941121 /nfs/dbraw/zinc/94/11/21/472941121.db2.gz NUBVDBDRXHHUAP-GOSISDBHSA-N 1 3 346.519 2.540 20 0 EFADHO CCn1nc(C)c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587219 472942071 /nfs/dbraw/zinc/94/20/71/472942071.db2.gz GGSOEVNAKCBXTG-IYBDPMFKSA-N 1 3 348.535 2.841 20 0 EFADHO CCn1nc(C)c(CN2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587219 472942078 /nfs/dbraw/zinc/94/20/78/472942078.db2.gz GGSOEVNAKCBXTG-IYBDPMFKSA-N 1 3 348.535 2.841 20 0 EFADHO C[C@H]1CN(CC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000092587211 472942568 /nfs/dbraw/zinc/94/25/68/472942568.db2.gz QFPYWYLZJHXOJD-HOTGVXAUSA-N 1 3 342.487 2.884 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000092766648 472982198 /nfs/dbraw/zinc/98/21/98/472982198.db2.gz HNFJZDORJVVYEZ-YSSFQJQWSA-N 1 3 331.504 2.889 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325655 472989424 /nfs/dbraw/zinc/98/94/24/472989424.db2.gz DIHCOOWTEUSVCP-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)N1CCCCC1 ZINC000074325655 472989427 /nfs/dbraw/zinc/98/94/27/472989427.db2.gz DIHCOOWTEUSVCP-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](C(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)N1CCCCCC1 ZINC000074429032 473005558 /nfs/dbraw/zinc/00/55/58/473005558.db2.gz FYXDWXBRMGHAAE-KRWDZBQOSA-N 1 3 347.503 2.967 20 0 EFADHO C[C@@H](CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000050802555 473011137 /nfs/dbraw/zinc/01/11/37/473011137.db2.gz SUAPLPNWTYYJBH-KRWDZBQOSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(CC)CC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000122524610 473025137 /nfs/dbraw/zinc/02/51/37/473025137.db2.gz POUKENFUTYDCIS-IAGOWNOFSA-N 1 3 331.504 2.601 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNCc3ccccc3)c2)C1 ZINC000108421107 473026519 /nfs/dbraw/zinc/02/65/19/473026519.db2.gz JGNHOHBYFHGKIB-HXUWFJFHSA-N 1 3 337.467 2.674 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNCc3ccccc3)c2)C1 ZINC000108421107 473026525 /nfs/dbraw/zinc/02/65/25/473026525.db2.gz JGNHOHBYFHGKIB-HXUWFJFHSA-N 1 3 337.467 2.674 20 0 EFADHO CCCCC[C@@H](C)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000051243608 473034688 /nfs/dbraw/zinc/03/46/88/473034688.db2.gz QKKQKQVLRNRAEY-MRXNPFEDSA-N 1 3 338.540 2.813 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108590392 473044969 /nfs/dbraw/zinc/04/49/69/473044969.db2.gz UCHQLRVODXKPMK-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108590392 473044975 /nfs/dbraw/zinc/04/49/75/473044975.db2.gz UCHQLRVODXKPMK-IBGZPJMESA-N 1 3 346.519 2.622 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000066174659 473052533 /nfs/dbraw/zinc/05/25/33/473052533.db2.gz HBDOQWXLKVIKMN-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H]1CCCN1C(=O)CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000608492270 480027721 /nfs/dbraw/zinc/02/77/21/480027721.db2.gz BNZFHGWACBYGOV-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(CN2CCCC2)c1 ZINC000066410555 473090122 /nfs/dbraw/zinc/09/01/22/473090122.db2.gz ANJKCZXIOUIXPS-RTBURBONSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(CN2CCCC2)c1 ZINC000066410555 473090130 /nfs/dbraw/zinc/09/01/30/473090130.db2.gz ANJKCZXIOUIXPS-RTBURBONSA-N 1 3 327.472 2.639 20 0 EFADHO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482793 473114846 /nfs/dbraw/zinc/11/48/46/473114846.db2.gz RJRMQWZGZYWIKK-PXNSSMCTSA-N 1 3 345.531 2.952 20 0 EFADHO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000093482793 473114851 /nfs/dbraw/zinc/11/48/51/473114851.db2.gz RJRMQWZGZYWIKK-PXNSSMCTSA-N 1 3 345.531 2.952 20 0 EFADHO CC(C)(C)c1n[nH]cc1CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735121 473137186 /nfs/dbraw/zinc/13/71/86/473137186.db2.gz DKPNKFRJHRJAMD-UHFFFAOYSA-N 1 3 334.508 2.784 20 0 EFADHO COC(=O)c1cc(CN2CCC(CCC[NH+]3CCCC3)CC2)c[nH]1 ZINC000093769338 473143375 /nfs/dbraw/zinc/14/33/75/473143375.db2.gz VQKIUPIVBILAAD-UHFFFAOYSA-N 1 3 333.476 2.889 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000136236655 473145635 /nfs/dbraw/zinc/14/56/35/473145635.db2.gz YXZWCQWVHLWKPD-LJQANCHMSA-N 1 3 335.536 2.689 20 0 EFADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000075414461 473185104 /nfs/dbraw/zinc/18/51/04/473185104.db2.gz UBMRGAKEDSAGJJ-UHFFFAOYSA-N 1 3 347.290 2.951 20 0 EFADHO C[C@H]([NH2+]CCCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000162879181 473393339 /nfs/dbraw/zinc/39/33/39/473393339.db2.gz LEVBOMKOPKPLHT-XHSDSOJGSA-N 1 3 334.460 2.955 20 0 EFADHO C[C@H](OC[C@@H](O)C[N@@H+]1CC[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000113514415 473397943 /nfs/dbraw/zinc/39/79/43/473397943.db2.gz MXYHJSPWYIPKDQ-DAYGRLMNSA-N 1 3 340.895 2.662 20 0 EFADHO C[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](CN(C)C)C1)c1ccc(Cl)cc1 ZINC000113514415 473397947 /nfs/dbraw/zinc/39/79/47/473397947.db2.gz MXYHJSPWYIPKDQ-DAYGRLMNSA-N 1 3 340.895 2.662 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2Cc2ccc(C)cc2)CC1 ZINC000113517830 473399668 /nfs/dbraw/zinc/39/96/68/473399668.db2.gz OOTYPJAECUIXAC-HXUWFJFHSA-N 1 3 343.515 2.602 20 0 EFADHO CC[C@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C ZINC000125390054 473402966 /nfs/dbraw/zinc/40/29/66/473402966.db2.gz IDQWWLQLFWNDQK-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000125390054 473402974 /nfs/dbraw/zinc/40/29/74/473402974.db2.gz IDQWWLQLFWNDQK-RBUKOAKNSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185376408 473409737 /nfs/dbraw/zinc/40/97/37/473409737.db2.gz YTVRAIPYJHZMPD-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCN(C)C2CC2)C1 ZINC000185376408 473409742 /nfs/dbraw/zinc/40/97/42/473409742.db2.gz YTVRAIPYJHZMPD-INIZCTEOSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1OCCN(C)C ZINC000185432873 473425064 /nfs/dbraw/zinc/42/50/64/473425064.db2.gz VEHHOFMLKDVTDI-QGZVFWFLSA-N 1 3 347.503 2.621 20 0 EFADHO O=C(NCCC[NH+]1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000177891369 473447478 /nfs/dbraw/zinc/44/74/78/473447478.db2.gz AWWNEPFFVCJWMS-UHFFFAOYSA-N 1 3 336.524 2.522 20 0 EFADHO O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(C2CCCCC2)CC1 ZINC000177971649 473456778 /nfs/dbraw/zinc/45/67/78/473456778.db2.gz QAYSNTAEFPPGTL-UHFFFAOYSA-N 1 3 348.535 2.521 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178002813 473459018 /nfs/dbraw/zinc/45/90/18/473459018.db2.gz RKCLHHQMXNFRMA-WCVJEAGWSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178002813 473459023 /nfs/dbraw/zinc/45/90/23/473459023.db2.gz RKCLHHQMXNFRMA-WCVJEAGWSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NC(C)(C)C ZINC000163618917 473460201 /nfs/dbraw/zinc/46/02/01/473460201.db2.gz CVOYKZJGLFRGQS-GJZGRUSLSA-N 1 3 335.492 2.581 20 0 EFADHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H](c1cccs1)N1CCCC1 ZINC000163622609 473460240 /nfs/dbraw/zinc/46/02/40/473460240.db2.gz RAEWHTUUCWODHJ-HMQMGEFJSA-N 1 3 347.528 2.922 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2Cc2ccccc2)CC1 ZINC000114454190 473468265 /nfs/dbraw/zinc/46/82/65/473468265.db2.gz ZZCRTFNNSDQTRL-FQEVSTJZSA-N 1 3 343.515 2.683 20 0 EFADHO CSCC[C@@H](N[C@@H](C)C1CC[NH+](C)CC1)c1nnc2ccccn21 ZINC000164317586 473485688 /nfs/dbraw/zinc/48/56/88/473485688.db2.gz MJXLYPKRNBUZOU-GOEBONIOSA-N 1 3 347.532 2.843 20 0 EFADHO CC1CC[NH+]([C@@H](CNC(=O)[C@@H](N)C(C)(C)C)c2ccccc2)CC1 ZINC000164324897 473486280 /nfs/dbraw/zinc/48/62/80/473486280.db2.gz PHKWXQCAIWZXQZ-ZWKOTPCHSA-N 1 3 331.504 2.949 20 0 EFADHO CC(C)[NH2+]CCC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000165035669 473504933 /nfs/dbraw/zinc/50/49/33/473504933.db2.gz OILAVPBKJCQUPO-IBGZPJMESA-N 1 3 345.531 2.964 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)NCCC[NH+](C)C ZINC000151944119 473509049 /nfs/dbraw/zinc/50/90/49/473509049.db2.gz FYGFWNPKHMSCRS-AWEZNQCLSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1cccc(N2CCN(CCCC[NH2+]CC3=CCCOC3)CC2)c1 ZINC000126363148 473511784 /nfs/dbraw/zinc/51/17/84/473511784.db2.gz KWAJLMZETNWYLU-UHFFFAOYSA-N 1 3 343.515 2.834 20 0 EFADHO C[C@@H](C(=O)N1CCN(CCC(C)(C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000165700992 473514337 /nfs/dbraw/zinc/51/43/37/473514337.db2.gz FMZKSFNSMQTLNG-SJLPKXTDSA-N 1 3 331.504 2.903 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165955099 473518403 /nfs/dbraw/zinc/51/84/03/473518403.db2.gz YNMARFWIYSFUMB-GDBMZVCRSA-N 1 3 347.503 2.924 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CN[C@@H]1CCCOc2ccc(OC)cc21 ZINC000165939258 473519050 /nfs/dbraw/zinc/51/90/50/473519050.db2.gz GCRHZRYSUABCLV-FUHWJXTLSA-N 1 3 336.476 2.855 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000165992385 473519927 /nfs/dbraw/zinc/51/99/27/473519927.db2.gz OUXIIPSIGYOLPI-IHPCNDPISA-N 1 3 333.520 2.626 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000166325479 473524364 /nfs/dbraw/zinc/52/43/64/473524364.db2.gz QLUWHJOAYCCMAD-GBESFXJTSA-N 1 3 329.488 2.766 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191472761 473543372 /nfs/dbraw/zinc/54/33/72/473543372.db2.gz UXZMQDKWVQOIBS-HDICACEKSA-N 1 3 325.541 2.540 20 0 EFADHO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCN1CCN(CCO)CC1 ZINC000168939058 473545666 /nfs/dbraw/zinc/54/56/66/473545666.db2.gz OZRHYVSMGHLSNR-OALUTQOASA-N 1 3 339.568 2.571 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)[C@@H](C)C1CCCCC1 ZINC000168924968 473545698 /nfs/dbraw/zinc/54/56/98/473545698.db2.gz FSNVIISBAMJYFC-RTBURBONSA-N 1 3 339.568 2.571 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CCCCC1)c1ccccc1 ZINC000172233921 473555825 /nfs/dbraw/zinc/55/58/25/473555825.db2.gz XNQXVVWVUYTTTM-QGZVFWFLSA-N 1 3 346.519 2.901 20 0 EFADHO N[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000178816907 473571499 /nfs/dbraw/zinc/57/14/99/473571499.db2.gz FSAXTRUAFLGHEM-HXUWFJFHSA-N 1 3 337.467 2.989 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186109211 473593690 /nfs/dbraw/zinc/59/36/90/473593690.db2.gz YVTMSXUAJQCQCL-KSZLIROESA-N 1 3 336.524 2.519 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178977861 473603572 /nfs/dbraw/zinc/60/35/72/473603572.db2.gz UWCOYWZCKAWKAC-UHFFFAOYSA-N 1 3 325.859 2.596 20 0 EFADHO CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000127392674 473607240 /nfs/dbraw/zinc/60/72/40/473607240.db2.gz XRTIRLMSBOFBAV-FCEWJHQRSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CCCO1 ZINC000170771046 473608793 /nfs/dbraw/zinc/60/87/93/473608793.db2.gz ATDDKZQNMDBMKI-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CCCO1 ZINC000170771046 473608799 /nfs/dbraw/zinc/60/87/99/473608799.db2.gz ATDDKZQNMDBMKI-QZTJIDSGSA-N 1 3 332.488 2.908 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCCC1 ZINC000153357928 473620192 /nfs/dbraw/zinc/62/01/92/473620192.db2.gz QVMIVTIMHAQDPV-LMMKCTJWSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCCC1 ZINC000153357928 473620197 /nfs/dbraw/zinc/62/01/97/473620197.db2.gz QVMIVTIMHAQDPV-LMMKCTJWSA-N 1 3 331.504 2.904 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H]1CCN(C)[C@H](C)C1)N1CCCC1 ZINC000153357928 473620199 /nfs/dbraw/zinc/62/01/99/473620199.db2.gz QVMIVTIMHAQDPV-LMMKCTJWSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172542931 473639536 /nfs/dbraw/zinc/63/95/36/473639536.db2.gz POORRPPZDBXRNT-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172542931 473639540 /nfs/dbraw/zinc/63/95/40/473639540.db2.gz POORRPPZDBXRNT-KRWDZBQOSA-N 1 3 336.524 2.521 20 0 EFADHO CC[C@H](C)N(C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000170915563 473644275 /nfs/dbraw/zinc/64/42/75/473644275.db2.gz JTVRGWGLARFLBE-KRWDZBQOSA-N 1 3 331.504 2.806 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172588175 473650139 /nfs/dbraw/zinc/65/01/39/473650139.db2.gz QWURSIFHOXZUTF-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO CCN1CCCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172588175 473650145 /nfs/dbraw/zinc/65/01/45/473650145.db2.gz QWURSIFHOXZUTF-SFHVURJKSA-N 1 3 336.524 2.521 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCC[C@H]2C)CC1 ZINC000172649418 473667454 /nfs/dbraw/zinc/66/74/54/473667454.db2.gz ZPKHQNKYHRATQH-QGZVFWFLSA-N 1 3 329.488 2.560 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCc3c(cccc3OC)C2)CC1 ZINC000192439159 473679534 /nfs/dbraw/zinc/67/95/34/473679534.db2.gz XTSQWTWXIFEOPO-IBGZPJMESA-N 1 3 345.531 2.560 20 0 EFADHO CC[C@@H](C)NC(=O)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393124 473683454 /nfs/dbraw/zinc/68/34/54/473683454.db2.gz GTCPWISZYYXITF-MRXNPFEDSA-N 1 3 332.492 2.535 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000192519159 473688236 /nfs/dbraw/zinc/68/82/36/473688236.db2.gz GADZPKHJZLZPDX-UZLBHIALSA-N 1 3 332.488 2.922 20 0 EFADHO CN(C)[C@H](C[NH2+]C1CCN(C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570746 473691645 /nfs/dbraw/zinc/69/16/45/473691645.db2.gz SYCLDHAIFWCRAX-MRXNPFEDSA-N 1 3 329.410 2.992 20 0 EFADHO CN(C)[C@H](CNC1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000186570746 473691647 /nfs/dbraw/zinc/69/16/47/473691647.db2.gz SYCLDHAIFWCRAX-MRXNPFEDSA-N 1 3 329.410 2.992 20 0 EFADHO CCc1ccc([C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000262629473 473703638 /nfs/dbraw/zinc/70/36/38/473703638.db2.gz DMDYIKGZDLERQT-UXPWSPDFSA-N 1 3 345.531 2.994 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000262646996 473706208 /nfs/dbraw/zinc/70/62/08/473706208.db2.gz WAEDWSRPPINQOP-JENIJYKNSA-N 1 3 347.478 2.671 20 0 EFADHO C[C@H](CC(=O)NCCCN1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000262651443 473706626 /nfs/dbraw/zinc/70/66/26/473706626.db2.gz AGZFVTCKJOCVCV-MJGOQNOKSA-N 1 3 343.515 2.577 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000262690804 473711342 /nfs/dbraw/zinc/71/13/42/473711342.db2.gz ZHZRTSVCUROOAB-WDSOQIARSA-N 1 3 331.504 2.740 20 0 EFADHO C[C@H]([NH2+]CCCCN1CCN(c2ccccc2)CC1)c1ccnn1C ZINC000192741236 473717024 /nfs/dbraw/zinc/71/70/24/473717024.db2.gz QTRBDGHMZWQAHO-SFHVURJKSA-N 1 3 341.503 2.673 20 0 EFADHO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000262729431 473717293 /nfs/dbraw/zinc/71/72/93/473717293.db2.gz BIEWMYUPHSMXIH-GGPKGHCWSA-N 1 3 329.488 2.847 20 0 EFADHO N[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000269172713 473718897 /nfs/dbraw/zinc/71/88/97/473718897.db2.gz KDBUBYMYUABANG-HXUWFJFHSA-N 1 3 337.467 2.715 20 0 EFADHO [NH3+]C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)C1CCCCC1 ZINC000269177394 473720061 /nfs/dbraw/zinc/72/00/61/473720061.db2.gz CFBHAWIDHKWXSC-HXUWFJFHSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245605276 473724806 /nfs/dbraw/zinc/72/48/06/473724806.db2.gz QTFUBVCVDFHUNT-LUYZLQTOSA-N 1 3 325.497 2.608 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245605276 473724813 /nfs/dbraw/zinc/72/48/13/473724813.db2.gz QTFUBVCVDFHUNT-LUYZLQTOSA-N 1 3 325.497 2.608 20 0 EFADHO CC(C)N1CCN(CCC[NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000192788212 473726063 /nfs/dbraw/zinc/72/60/63/473726063.db2.gz AIIQSFOQQWMKGL-HXUWFJFHSA-N 1 3 333.520 2.506 20 0 EFADHO CN(C[C@H]1CCC[N@@H+]1CC[C@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000245680278 473736429 /nfs/dbraw/zinc/73/64/29/473736429.db2.gz PALKZCIHORHANF-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C[C@H]1CCC[N@H+]1CC[C@H]1CCCN1C)C(=O)OC(C)(C)C ZINC000245680278 473736435 /nfs/dbraw/zinc/73/64/35/473736435.db2.gz PALKZCIHORHANF-HZPDHXFCSA-N 1 3 325.497 2.802 20 0 EFADHO C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1CCC(Cc2ccccc2)CC1 ZINC000269245015 473747069 /nfs/dbraw/zinc/74/70/69/473747069.db2.gz ZHUIPSGHOULLFN-UWVAXJGDSA-N 1 3 343.515 2.525 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H](N)c2ccccc2)C1 ZINC000263305446 473747644 /nfs/dbraw/zinc/74/76/44/473747644.db2.gz FBAXKXMVPKMLQY-NUJGCVRESA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000179884055 473748843 /nfs/dbraw/zinc/74/88/43/473748843.db2.gz ZLUSMVNITBCLPR-CALCHBBNSA-N 1 3 342.487 2.656 20 0 EFADHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000179884055 473748850 /nfs/dbraw/zinc/74/88/50/473748850.db2.gz ZLUSMVNITBCLPR-CALCHBBNSA-N 1 3 342.487 2.656 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)CCCCCC[NH3+])c(C)c2)CC1 ZINC000269261220 473753135 /nfs/dbraw/zinc/75/31/35/473753135.db2.gz MGJIEKREWLZBGQ-UHFFFAOYSA-N 1 3 346.519 2.985 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000269264432 473754676 /nfs/dbraw/zinc/75/46/76/473754676.db2.gz OJXPIGIRHNAIJN-IEBWSBKVSA-N 1 3 331.504 2.922 20 0 EFADHO CN1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000245916754 473762553 /nfs/dbraw/zinc/76/25/53/473762553.db2.gz GMKVYHMGHVMICN-QFBILLFUSA-N 1 3 348.535 2.519 20 0 EFADHO CCN(C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245960851 473766779 /nfs/dbraw/zinc/76/67/79/473766779.db2.gz SGDBHUDHHGUZNR-WBVHZDCISA-N 1 3 344.421 2.882 20 0 EFADHO CCN(C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245960851 473766783 /nfs/dbraw/zinc/76/67/83/473766783.db2.gz SGDBHUDHHGUZNR-WBVHZDCISA-N 1 3 344.421 2.882 20 0 EFADHO CCN1CC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034223 473774134 /nfs/dbraw/zinc/77/41/34/473774134.db2.gz WHXNVNJBGKZCSQ-BZUAXINKSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034223 473774142 /nfs/dbraw/zinc/77/41/42/473774142.db2.gz WHXNVNJBGKZCSQ-BZUAXINKSA-N 1 3 325.497 2.563 20 0 EFADHO CC[N@H+]1CC[C@H](CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000246034223 473774147 /nfs/dbraw/zinc/77/41/47/473774147.db2.gz WHXNVNJBGKZCSQ-BZUAXINKSA-N 1 3 325.497 2.563 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000246048337 473775436 /nfs/dbraw/zinc/77/54/36/473775436.db2.gz XVUARONHZNIBSY-TWMKSMIVSA-N 1 3 337.508 2.848 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000246048337 473775450 /nfs/dbraw/zinc/77/54/50/473775450.db2.gz XVUARONHZNIBSY-TWMKSMIVSA-N 1 3 337.508 2.848 20 0 EFADHO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC[C@@H]3CCCN3C)ccc2NC1=O ZINC000180034290 473781899 /nfs/dbraw/zinc/78/18/99/473781899.db2.gz HLDWJOQYDODGFY-KMFMINBZSA-N 1 3 331.460 2.931 20 0 EFADHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000246169810 473792883 /nfs/dbraw/zinc/79/28/83/473792883.db2.gz LDJLZHWKBMDOIT-OALUTQOASA-N 1 3 344.503 2.516 20 0 EFADHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000246169810 473792887 /nfs/dbraw/zinc/79/28/87/473792887.db2.gz LDJLZHWKBMDOIT-OALUTQOASA-N 1 3 344.503 2.516 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246220051 473800257 /nfs/dbraw/zinc/80/02/57/473800257.db2.gz BGDFWDSLLUIAPY-ZIFCJYIRSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246220051 473800267 /nfs/dbraw/zinc/80/02/67/473800267.db2.gz BGDFWDSLLUIAPY-ZIFCJYIRSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000288037454 473831071 /nfs/dbraw/zinc/83/10/71/473831071.db2.gz OELDOGLFVQRXII-SCTDSRPQSA-N 1 3 346.519 2.631 20 0 EFADHO C[C@@H](CN(C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000288037454 473831077 /nfs/dbraw/zinc/83/10/77/473831077.db2.gz OELDOGLFVQRXII-SCTDSRPQSA-N 1 3 346.519 2.631 20 0 EFADHO c1cc(N2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)ccn1 ZINC000194088070 473840656 /nfs/dbraw/zinc/84/06/56/473840656.db2.gz GCWDKVAVRGAFIO-GUDVDZBRSA-N 1 3 327.472 2.845 20 0 EFADHO COC(=O)COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C)cc1 ZINC000274486437 473846117 /nfs/dbraw/zinc/84/61/17/473846117.db2.gz RPKPKEFINBIBCA-DOTOQJQBSA-N 1 3 334.460 2.763 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410360 473854247 /nfs/dbraw/zinc/85/42/47/473854247.db2.gz RZPKWSUKBDLDLR-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)N1CCC[C@@H](C)C1 ZINC000246410360 473854254 /nfs/dbraw/zinc/85/42/54/473854254.db2.gz RZPKWSUKBDLDLR-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c1 ZINC000269658643 473855046 /nfs/dbraw/zinc/85/50/46/473855046.db2.gz JNAJXFULUZYKGR-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269658643 473855049 /nfs/dbraw/zinc/85/50/49/473855049.db2.gz JNAJXFULUZYKGR-LJQANCHMSA-N 1 3 329.488 2.771 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246419579 473858040 /nfs/dbraw/zinc/85/80/40/473858040.db2.gz BUHKJBNYOFOUMD-DFQSSKMNSA-N 1 3 334.504 2.757 20 0 EFADHO CC(C)OC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246419579 473858044 /nfs/dbraw/zinc/85/80/44/473858044.db2.gz BUHKJBNYOFOUMD-DFQSSKMNSA-N 1 3 334.504 2.757 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246427002 473859582 /nfs/dbraw/zinc/85/95/82/473859582.db2.gz STHMMXKDUQWJGN-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000246427002 473859590 /nfs/dbraw/zinc/85/95/90/473859590.db2.gz STHMMXKDUQWJGN-RBUKOAKNSA-N 1 3 344.503 2.607 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000269687880 473861457 /nfs/dbraw/zinc/86/14/57/473861457.db2.gz VWIPEGFKCQJIBX-VKJFTORMSA-N 1 3 333.476 2.719 20 0 EFADHO CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000269687880 473861464 /nfs/dbraw/zinc/86/14/64/473861464.db2.gz VWIPEGFKCQJIBX-VKJFTORMSA-N 1 3 333.476 2.719 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(C(=O)NCCN(C)C)cc1)C1CCSCC1 ZINC000187347851 473862152 /nfs/dbraw/zinc/86/21/52/473862152.db2.gz FCYFNHWRWIQDAT-OAHLLOKOSA-N 1 3 349.544 2.599 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246498430 473882290 /nfs/dbraw/zinc/88/22/90/473882290.db2.gz XRIBWSBILRTHJS-GUDVDZBRSA-N 1 3 332.488 2.920 20 0 EFADHO COc1cc(C[NH2+]C2CCN([C@H]3CCCC[C@H]3O)CC2)ccc1C ZINC000194374861 473887885 /nfs/dbraw/zinc/88/78/85/473887885.db2.gz GXRPFZZKUAVTOA-RBUKOAKNSA-N 1 3 332.488 2.861 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608680428 480068082 /nfs/dbraw/zinc/06/80/82/480068082.db2.gz BBUKQJGXFFVPLR-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO CC(C)N1CCC([NH2+][C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000173617108 473892592 /nfs/dbraw/zinc/89/25/92/473892592.db2.gz OEHVRCXRSAYJIX-DLBZAZTESA-N 1 3 331.504 2.757 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000608680428 480068086 /nfs/dbraw/zinc/06/80/86/480068086.db2.gz BBUKQJGXFFVPLR-IBGZPJMESA-N 1 3 346.519 2.634 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1C ZINC000194413624 473893965 /nfs/dbraw/zinc/89/39/65/473893965.db2.gz HMJHKEUUFBJRBM-HXUWFJFHSA-N 1 3 340.467 2.860 20 0 EFADHO COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C ZINC000194413624 473893970 /nfs/dbraw/zinc/89/39/70/473893970.db2.gz HMJHKEUUFBJRBM-HXUWFJFHSA-N 1 3 340.467 2.860 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173693459 473913472 /nfs/dbraw/zinc/91/34/72/473913472.db2.gz QSIIESOIADNXII-IRXDYDNUSA-N 1 3 329.488 2.771 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000288415230 473936132 /nfs/dbraw/zinc/93/61/32/473936132.db2.gz NOAQZXIBDAYMHO-PZJWPPBQSA-N 1 3 343.515 2.697 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N(C)C ZINC000288415230 473936137 /nfs/dbraw/zinc/93/61/37/473936137.db2.gz NOAQZXIBDAYMHO-PZJWPPBQSA-N 1 3 343.515 2.697 20 0 EFADHO COCCC[C@@H](NCCC[N@H+](C)CCOC)c1ccc(F)cc1 ZINC000282075716 473937600 /nfs/dbraw/zinc/93/76/00/473937600.db2.gz XDVCONPMMYKOPW-GOSISDBHSA-N 1 3 326.456 2.851 20 0 EFADHO COCCC[C@@H](NCCC[N@@H+](C)CCOC)c1ccc(F)cc1 ZINC000282075716 473937604 /nfs/dbraw/zinc/93/76/04/473937604.db2.gz XDVCONPMMYKOPW-GOSISDBHSA-N 1 3 326.456 2.851 20 0 EFADHO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000270025412 473958019 /nfs/dbraw/zinc/95/80/19/473958019.db2.gz PBADOWPZXABSQF-GFCCVEGCSA-N 1 3 331.287 2.971 20 0 EFADHO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC1(O)CCN(C)CC1 ZINC000270025415 473958896 /nfs/dbraw/zinc/95/88/96/473958896.db2.gz PBADOWPZXABSQF-LBPRGKRZSA-N 1 3 331.287 2.971 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 ZINC000274793426 473962608 /nfs/dbraw/zinc/96/26/08/473962608.db2.gz YUKCCAAFLFJINY-INIZCTEOSA-N 1 3 346.519 2.934 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246791493 473962736 /nfs/dbraw/zinc/96/27/36/473962736.db2.gz ZZRKAXGIQAXLEL-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000246791493 473962742 /nfs/dbraw/zinc/96/27/42/473962742.db2.gz ZZRKAXGIQAXLEL-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274801352 473965781 /nfs/dbraw/zinc/96/57/81/473965781.db2.gz VHSHIAGKEFUGPK-CWRNSKLLSA-N 1 3 330.394 2.800 20 0 EFADHO COc1cccc2c1CCC[C@H]2[NH2+]CCCN1CCCN(C)CC1 ZINC000194884790 473969355 /nfs/dbraw/zinc/96/93/55/473969355.db2.gz KQLMMWGFZRAIMD-LJQANCHMSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CC[C@@H]([NH2+]CC2(N3CCSCC3)CCCC2)[C@@H](C)C1 ZINC000246817601 473972168 /nfs/dbraw/zinc/97/21/68/473972168.db2.gz BBACCOBFAOLVHL-DLBZAZTESA-N 1 3 325.566 2.668 20 0 EFADHO C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(O)c1 ZINC000194926191 473977184 /nfs/dbraw/zinc/97/71/84/473977184.db2.gz SXRYCNOLJAGSEU-OAHLLOKOSA-N 1 3 341.455 2.534 20 0 EFADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274842188 473984280 /nfs/dbraw/zinc/98/42/80/473984280.db2.gz OQVCGFJGEQMHHV-CRAIPNDOSA-N 1 3 345.512 2.718 20 0 EFADHO Cc1csc(=O)n1CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274842188 473984286 /nfs/dbraw/zinc/98/42/86/473984286.db2.gz OQVCGFJGEQMHHV-CRAIPNDOSA-N 1 3 345.512 2.718 20 0 EFADHO C[C@@H](c1cc(F)ccc1F)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180936425 473988344 /nfs/dbraw/zinc/98/83/44/473988344.db2.gz IWLYMVXXFOYELV-AWEZNQCLSA-N 1 3 325.447 2.984 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)CN1CCCC1 ZINC000246902918 473997481 /nfs/dbraw/zinc/99/74/81/473997481.db2.gz FXEGFFAUYBHXIV-WSTZPKSXSA-N 1 3 330.520 2.614 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000195049245 473997807 /nfs/dbraw/zinc/99/78/07/473997807.db2.gz VKWRDXFCZUJZIC-KRWDZBQOSA-N 1 3 332.492 2.990 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(CN(C)C)c2)C1 ZINC000195049245 473997816 /nfs/dbraw/zinc/99/78/16/473997816.db2.gz VKWRDXFCZUJZIC-KRWDZBQOSA-N 1 3 332.492 2.990 20 0 EFADHO CN1CCN(CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1(C)C ZINC000282253497 473998558 /nfs/dbraw/zinc/99/85/58/473998558.db2.gz GRVKIWCCTYAWHI-UHFFFAOYSA-N 1 3 331.504 2.591 20 0 EFADHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000181054174 474001263 /nfs/dbraw/zinc/00/12/63/474001263.db2.gz HYWVRTFHZLDMAH-KRWDZBQOSA-N 1 3 346.519 2.679 20 0 EFADHO COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)CCS2 ZINC000282277233 474006163 /nfs/dbraw/zinc/00/61/63/474006163.db2.gz KVYFPSAJBLWPGL-KRWDZBQOSA-N 1 3 349.544 2.848 20 0 EFADHO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000274928858 474016665 /nfs/dbraw/zinc/01/66/65/474016665.db2.gz QNPKHFWWTPAHTQ-WDSOQIARSA-N 1 3 343.515 2.886 20 0 EFADHO Cc1cc([C@@H](C)NCCc2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000282316031 474019912 /nfs/dbraw/zinc/01/99/12/474019912.db2.gz UCWCVSOCFFBDSP-MRXNPFEDSA-N 1 3 330.476 2.562 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246974776 474020344 /nfs/dbraw/zinc/02/03/44/474020344.db2.gz JIRFRFUTVHXGHS-QWFCFKBJSA-N 1 3 330.520 2.614 20 0 EFADHO C[C@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000195191511 474026497 /nfs/dbraw/zinc/02/64/97/474026497.db2.gz YQLRPARKLXEJNB-VQIMIIECSA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)NCc1ccc(CN(C)C)cc1 ZINC000188236615 474029116 /nfs/dbraw/zinc/02/91/16/474029116.db2.gz LQUDOWYSVFLJQP-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000246996791 474030644 /nfs/dbraw/zinc/03/06/44/474030644.db2.gz LEVBOMKOPKPLHT-BZUAXINKSA-N 1 3 334.460 2.955 20 0 EFADHO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000188254144 474034472 /nfs/dbraw/zinc/03/44/72/474034472.db2.gz UGDWBYWUJPRDJZ-PKOBYXMFSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000188254118 474035258 /nfs/dbraw/zinc/03/52/58/474035258.db2.gz UGDWBYWUJPRDJZ-MJGOQNOKSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174408584 474037440 /nfs/dbraw/zinc/03/74/40/474037440.db2.gz QXKWBMICZJIXAP-QFBILLFUSA-N 1 3 329.488 2.790 20 0 EFADHO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC000174408570 474038429 /nfs/dbraw/zinc/03/84/29/474038429.db2.gz QXKWBMICZJIXAP-VQIMIIECSA-N 1 3 329.488 2.790 20 0 EFADHO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CCCN2CCCCC2)C1 ZINC000288825897 474064000 /nfs/dbraw/zinc/06/40/00/474064000.db2.gz NNSSLYTWGNURSR-FQEVSTJZSA-N 1 3 334.479 2.929 20 0 EFADHO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CCCN2CCCCC2)C1 ZINC000288825897 474064005 /nfs/dbraw/zinc/06/40/05/474064005.db2.gz NNSSLYTWGNURSR-FQEVSTJZSA-N 1 3 334.479 2.929 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000247148814 474075300 /nfs/dbraw/zinc/07/53/00/474075300.db2.gz IFMBJBVLBNYPAG-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000247148814 474075308 /nfs/dbraw/zinc/07/53/08/474075308.db2.gz IFMBJBVLBNYPAG-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)N(C)Cc1ccccc1 ZINC000247211424 474090207 /nfs/dbraw/zinc/09/02/07/474090207.db2.gz XUVYQPRSNRLUHV-NZSAHSFTSA-N 1 3 346.519 2.679 20 0 EFADHO CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000182087646 474096528 /nfs/dbraw/zinc/09/65/28/474096528.db2.gz LXMZGESLGXEGSO-RDJZCZTQSA-N 1 3 345.487 2.797 20 0 EFADHO C[NH+](C)[C@@H]1CCCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583644 474119522 /nfs/dbraw/zinc/11/95/22/474119522.db2.gz WFKGFXDAVWDPTJ-IEBWSBKVSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@@H]1CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583644 474119527 /nfs/dbraw/zinc/11/95/27/474119527.db2.gz WFKGFXDAVWDPTJ-IEBWSBKVSA-N 1 3 329.488 2.565 20 0 EFADHO CN(C)[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282583644 474119531 /nfs/dbraw/zinc/11/95/31/474119531.db2.gz WFKGFXDAVWDPTJ-IEBWSBKVSA-N 1 3 329.488 2.565 20 0 EFADHO CN1CCC[C@@H]2C[N@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644098 474138974 /nfs/dbraw/zinc/13/89/74/474138974.db2.gz BXDRAKRQCGEERC-MISYRCLQSA-N 1 3 341.499 2.565 20 0 EFADHO CN1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644098 474138978 /nfs/dbraw/zinc/13/89/78/474138978.db2.gz BXDRAKRQCGEERC-MISYRCLQSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@@H+]1CCC[C@@H]2CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644098 474138987 /nfs/dbraw/zinc/13/89/87/474138987.db2.gz BXDRAKRQCGEERC-MISYRCLQSA-N 1 3 341.499 2.565 20 0 EFADHO C[N@H+]1CCC[C@@H]2CN(C[C@H]3CCN(C(=O)c4ccccc4)C3)CC[C@H]21 ZINC000282644098 474138991 /nfs/dbraw/zinc/13/89/91/474138991.db2.gz BXDRAKRQCGEERC-MISYRCLQSA-N 1 3 341.499 2.565 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)C1C[C@@H](c2ccccc2)OC1=O)C(C)(C)C ZINC000289099861 474148573 /nfs/dbraw/zinc/14/85/73/474148573.db2.gz CBZAMEDQNRGBKA-ULQDDVLXSA-N 1 3 346.471 2.773 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793303 474157655 /nfs/dbraw/zinc/15/76/55/474157655.db2.gz FZNPUMTWMHOETN-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793303 474157661 /nfs/dbraw/zinc/15/76/61/474157661.db2.gz FZNPUMTWMHOETN-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)N1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000220793303 474157664 /nfs/dbraw/zinc/15/76/64/474157664.db2.gz FZNPUMTWMHOETN-JKSUJKDBSA-N 1 3 325.497 2.706 20 0 EFADHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188706581 474172718 /nfs/dbraw/zinc/17/27/18/474172718.db2.gz SJDROQOCJFAGGR-FQEVSTJZSA-N 1 3 349.478 2.818 20 0 EFADHO O=C(NCc1ccc2c(c1)CNC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000188706581 474172726 /nfs/dbraw/zinc/17/27/26/474172726.db2.gz SJDROQOCJFAGGR-FQEVSTJZSA-N 1 3 349.478 2.818 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccccc1N1CCOCC1)C2 ZINC000289226401 474189798 /nfs/dbraw/zinc/18/97/98/474189798.db2.gz CSUFCAUQKCKBGU-DFNIBXOVSA-N 1 3 329.488 2.580 20 0 EFADHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccccc1N1CCOCC1)C2 ZINC000289226401 474189804 /nfs/dbraw/zinc/18/98/04/474189804.db2.gz CSUFCAUQKCKBGU-DFNIBXOVSA-N 1 3 329.488 2.580 20 0 EFADHO CC(C)(CNC(=O)C1C[C@@H](c2ccccc2)OC1=O)C[NH+]1CCCC1 ZINC000289245006 474195384 /nfs/dbraw/zinc/19/53/84/474195384.db2.gz AOUSRRLBBAJVAW-IRXDYDNUSA-N 1 3 344.455 2.529 20 0 EFADHO CC(C)C[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000289255045 474200024 /nfs/dbraw/zinc/20/00/24/474200024.db2.gz BTBSFAOKHBPVBM-MSOLQXFVSA-N 1 3 344.455 2.527 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289266581 474202858 /nfs/dbraw/zinc/20/28/58/474202858.db2.gz FZXZSBQLUYAVIC-NAZJXLNTSA-N 1 3 346.471 2.684 20 0 EFADHO COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289266581 474202864 /nfs/dbraw/zinc/20/28/64/474202864.db2.gz FZXZSBQLUYAVIC-NAZJXLNTSA-N 1 3 346.471 2.684 20 0 EFADHO COCCOCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000289269241 474203238 /nfs/dbraw/zinc/20/32/38/474203238.db2.gz NIHZXBRPFPDEOL-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO COCCOCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000289269241 474203242 /nfs/dbraw/zinc/20/32/42/474203242.db2.gz NIHZXBRPFPDEOL-UXHICEINSA-N 1 3 332.488 2.766 20 0 EFADHO CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)N(C)C ZINC000247891913 474221966 /nfs/dbraw/zinc/22/19/66/474221966.db2.gz FPINASCHSKQNSL-VQIMIIECSA-N 1 3 331.504 2.875 20 0 EFADHO CC[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)N(C)C ZINC000247891913 474221972 /nfs/dbraw/zinc/22/19/72/474221972.db2.gz FPINASCHSKQNSL-VQIMIIECSA-N 1 3 331.504 2.875 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)[C@@H](C)C1 ZINC000247933267 474227760 /nfs/dbraw/zinc/22/77/60/474227760.db2.gz CFOURFRGZDDTCA-JQFCIGGWSA-N 1 3 325.447 2.887 20 0 EFADHO CCN(CC)CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226363519 474241439 /nfs/dbraw/zinc/24/14/39/474241439.db2.gz LQRIBSQTYCKKMW-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@@H+]1CCCC[C@H]1C ZINC000248055972 474251636 /nfs/dbraw/zinc/25/16/36/474251636.db2.gz XJPDQGIFPXCRIA-ZIAGYGMSSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)NCCC[N@H+]1CCCC[C@H]1C ZINC000248055972 474251640 /nfs/dbraw/zinc/25/16/40/474251640.db2.gz XJPDQGIFPXCRIA-ZIAGYGMSSA-N 1 3 343.313 2.888 20 0 EFADHO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1CCCC[C@H]1C ZINC000248055972 474251644 /nfs/dbraw/zinc/25/16/44/474251644.db2.gz XJPDQGIFPXCRIA-ZIAGYGMSSA-N 1 3 343.313 2.888 20 0 EFADHO CC(C)N(C)CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230195308 474259277 /nfs/dbraw/zinc/25/92/77/474259277.db2.gz JSMQPNWHCASRRN-UHFFFAOYSA-N 1 3 327.513 2.953 20 0 EFADHO C[N@@H+]1CCC[C@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230973450 474261424 /nfs/dbraw/zinc/26/14/24/474261424.db2.gz IBNQIHWKQDTMKG-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO C[N@H+]1CCC[C@H](CNCCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000230973450 474261429 /nfs/dbraw/zinc/26/14/29/474261429.db2.gz IBNQIHWKQDTMKG-OAHLLOKOSA-N 1 3 327.513 2.953 20 0 EFADHO C[NH+](C)C/C=C/C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000265610497 474268430 /nfs/dbraw/zinc/26/84/30/474268430.db2.gz BYDGPWKPAWBCGO-AATRIKPKSA-N 1 3 349.906 2.882 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248155979 474271691 /nfs/dbraw/zinc/27/16/91/474271691.db2.gz RKCLHHQMXNFRMA-KLHDSHLOSA-N 1 3 325.497 2.704 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000248155979 474271696 /nfs/dbraw/zinc/27/16/96/474271696.db2.gz RKCLHHQMXNFRMA-KLHDSHLOSA-N 1 3 325.497 2.704 20 0 EFADHO CC(C)C[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000236644971 474275583 /nfs/dbraw/zinc/27/55/83/474275583.db2.gz JWEHNHXJEYNLIW-SFHVURJKSA-N 1 3 332.492 2.520 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182890680 474279689 /nfs/dbraw/zinc/27/96/89/474279689.db2.gz USAJJFZBKODOPK-SJORKVTESA-N 1 3 338.540 2.621 20 0 EFADHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182890680 474279698 /nfs/dbraw/zinc/27/96/98/474279698.db2.gz USAJJFZBKODOPK-SJORKVTESA-N 1 3 338.540 2.621 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000236875590 474295776 /nfs/dbraw/zinc/29/57/76/474295776.db2.gz IRACAUFGIWGRCQ-CQSZACIVSA-N 1 3 331.382 2.553 20 0 EFADHO C[C@@H](NC(=O)Nc1ccccc1CC[NH+](C)C)C1=CCN(C)CC1 ZINC000275744541 474302368 /nfs/dbraw/zinc/30/23/68/474302368.db2.gz ZEQSNBNLQCQRFX-OAHLLOKOSA-N 1 3 330.476 2.563 20 0 EFADHO CCN1CCC(n2nccc2NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000236922728 474302983 /nfs/dbraw/zinc/30/29/83/474302983.db2.gz AGVPXQNZXWSRIA-HNNXBMFYSA-N 1 3 347.507 2.504 20 0 EFADHO CC[N@H+](CCCN1CCCC1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000289533806 474310537 /nfs/dbraw/zinc/31/05/37/474310537.db2.gz WHLKLYBXOSLPCE-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO CC[N@@H+](CCCN1CCCC1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000289533806 474310544 /nfs/dbraw/zinc/31/05/44/474310544.db2.gz WHLKLYBXOSLPCE-UHFFFAOYSA-N 1 3 329.488 2.903 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410276 474313182 /nfs/dbraw/zinc/31/31/82/474313182.db2.gz XWNNMQMASRNJTC-YQVWRLOYSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H](NC(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410276 474313186 /nfs/dbraw/zinc/31/31/86/474313186.db2.gz XWNNMQMASRNJTC-YQVWRLOYSA-N 1 3 348.535 2.519 20 0 EFADHO CN(c1ccccc1CN1CC[C@@H](O)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000275819737 474329342 /nfs/dbraw/zinc/32/93/42/474329342.db2.gz FADNZSDHGRIYCM-HXUWFJFHSA-N 1 3 345.531 2.810 20 0 EFADHO COCCOCC[NH2+][C@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183132314 474334449 /nfs/dbraw/zinc/33/44/49/474334449.db2.gz KDEIQCKENJLRKN-AABGKKOBSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132314 474334456 /nfs/dbraw/zinc/33/44/56/474334456.db2.gz KDEIQCKENJLRKN-AABGKKOBSA-N 1 3 332.488 2.540 20 0 EFADHO COCCOCCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132314 474334462 /nfs/dbraw/zinc/33/44/62/474334462.db2.gz KDEIQCKENJLRKN-AABGKKOBSA-N 1 3 332.488 2.540 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000237084905 474335116 /nfs/dbraw/zinc/33/51/16/474335116.db2.gz HOBCUBLEQUIJTC-QFBILLFUSA-N 1 3 331.504 2.908 20 0 EFADHO C[NH2+]C[C@H]1CCCN(C(=O)c2oc3ccccc3c2CN(C)C)C1 ZINC000237088566 474336104 /nfs/dbraw/zinc/33/61/04/474336104.db2.gz SPZHQYZKAUJDHQ-CQSZACIVSA-N 1 3 329.444 2.566 20 0 EFADHO Cc1nccnc1[C@@H](C)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000275837812 474336063 /nfs/dbraw/zinc/33/60/63/474336063.db2.gz IWGPCNUDAILFCJ-OAHLLOKOSA-N 1 3 328.460 2.619 20 0 EFADHO CCN1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189251241 474337980 /nfs/dbraw/zinc/33/79/80/474337980.db2.gz PTHOKYKDDJRFNE-UHFFFAOYSA-N 1 3 327.875 2.986 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000283226379 474344761 /nfs/dbraw/zinc/34/47/61/474344761.db2.gz IGMZALIRQYXQAA-FQEVSTJZSA-N 1 3 345.531 2.803 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000283226379 474344769 /nfs/dbraw/zinc/34/47/69/474344769.db2.gz IGMZALIRQYXQAA-FQEVSTJZSA-N 1 3 345.531 2.803 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268256 474355230 /nfs/dbraw/zinc/35/52/30/474355230.db2.gz WLWZUWITCGXSSC-RBUKOAKNSA-N 1 3 343.515 2.812 20 0 EFADHO CCN(CC)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000283268256 474355237 /nfs/dbraw/zinc/35/52/37/474355237.db2.gz WLWZUWITCGXSSC-RBUKOAKNSA-N 1 3 343.515 2.812 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183257246 474360849 /nfs/dbraw/zinc/36/08/49/474360849.db2.gz VABQETJLLJHTDC-CABCVRRESA-N 1 3 325.447 2.889 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000248568338 474362617 /nfs/dbraw/zinc/36/26/17/474362617.db2.gz PUELQUVDWCUGLE-CABCVRRESA-N 1 3 343.393 2.782 20 0 EFADHO FC(F)(F)COc1ccc(CCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000248568338 474362619 /nfs/dbraw/zinc/36/26/19/474362619.db2.gz PUELQUVDWCUGLE-CABCVRRESA-N 1 3 343.393 2.782 20 0 EFADHO Cn1ccnc1[C@H]([NH2+]CC1CCN(c2ccncc2)CC1)C1CC1 ZINC000183302232 474370007 /nfs/dbraw/zinc/37/00/07/474370007.db2.gz KYSIFIUOBCVEIU-GOSISDBHSA-N 1 3 325.460 2.772 20 0 EFADHO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237292392 474376630 /nfs/dbraw/zinc/37/66/30/474376630.db2.gz ITHRDLGKXJTWTA-FQEVSTJZSA-N 1 3 337.467 2.882 20 0 EFADHO CCCN1CC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620541 474381529 /nfs/dbraw/zinc/38/15/29/474381529.db2.gz CIQGMKKUTLQJIU-PMPSAXMXSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620541 474381534 /nfs/dbraw/zinc/38/15/34/474381534.db2.gz CIQGMKKUTLQJIU-PMPSAXMXSA-N 1 3 325.497 2.754 20 0 EFADHO CCC[N@H+]1CC[C@H](CN[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000248620541 474381539 /nfs/dbraw/zinc/38/15/39/474381539.db2.gz CIQGMKKUTLQJIU-PMPSAXMXSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@@H](CC(=O)N1CCN(CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237363343 474389161 /nfs/dbraw/zinc/38/91/61/474389161.db2.gz WOFHWEMPADGKMW-HKUYNNGSSA-N 1 3 335.536 2.737 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)C1 ZINC000248640298 474389784 /nfs/dbraw/zinc/38/97/84/474389784.db2.gz BUVKBSLJQZOTCX-OMQSBVIBSA-N 1 3 342.483 2.828 20 0 EFADHO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)C1 ZINC000248640297 474390562 /nfs/dbraw/zinc/39/05/62/474390562.db2.gz BUVKBSLJQZOTCX-CENDIDJXSA-N 1 3 342.483 2.828 20 0 EFADHO C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000237372914 474391653 /nfs/dbraw/zinc/39/16/53/474391653.db2.gz IMYJZQFTLAGFSF-BHIYHBOVSA-N 1 3 329.488 2.627 20 0 EFADHO C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237407234 474396669 /nfs/dbraw/zinc/39/66/69/474396669.db2.gz WFWSREYQUFRGDT-IIBYNOLFSA-N 1 3 343.515 2.573 20 0 EFADHO C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237408603 474396963 /nfs/dbraw/zinc/39/69/63/474396963.db2.gz CCBORCUWSHIWLK-RLLQIKCJSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](C(=O)N1CCC[C@H](C[NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000237405157 474397608 /nfs/dbraw/zinc/39/76/08/474397608.db2.gz DVJBBIRAXAETJH-YLJYHZDGSA-N 1 3 343.515 2.527 20 0 EFADHO C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[C@@H](N)c1ccccc1 ZINC000237441217 474405353 /nfs/dbraw/zinc/40/53/53/474405353.db2.gz QUOPJMUCEYKVSC-ZYSHUDEJSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176198239 474406856 /nfs/dbraw/zinc/40/68/56/474406856.db2.gz VIUAEOBMUFAPET-QGZVFWFLSA-N 1 3 346.519 2.622 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCN(C)C)cc2)C1 ZINC000176198239 474406862 /nfs/dbraw/zinc/40/68/62/474406862.db2.gz VIUAEOBMUFAPET-QGZVFWFLSA-N 1 3 346.519 2.622 20 0 EFADHO Cc1nn(C)c2ncc(CNCCCC[N@H+]3CCC[C@@H](C)C3)cc12 ZINC000237464206 474410919 /nfs/dbraw/zinc/41/09/19/474410919.db2.gz GHIMDKOEHGEPHA-OAHLLOKOSA-N 1 3 329.492 2.878 20 0 EFADHO Cc1nn(C)c2ncc(CNCCCC[N@@H+]3CCC[C@@H](C)C3)cc12 ZINC000237464206 474410929 /nfs/dbraw/zinc/41/09/29/474410929.db2.gz GHIMDKOEHGEPHA-OAHLLOKOSA-N 1 3 329.492 2.878 20 0 EFADHO C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)N1CCC(Cc2ccccc2)CC1 ZINC000237480599 474414604 /nfs/dbraw/zinc/41/46/04/474414604.db2.gz WFWSREYQUFRGDT-HRAATJIYSA-N 1 3 343.515 2.573 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H](NCCC[N@H+](C)CCOC)c2ccccc21 ZINC000283494964 474417928 /nfs/dbraw/zinc/41/79/28/474417928.db2.gz YHYZUOKHWQQGAA-OALUTQOASA-N 1 3 348.487 2.726 20 0 EFADHO CCOC(=O)[C@H]1CC[C@H](NCCC[N@@H+](C)CCOC)c2ccccc21 ZINC000283494964 474417936 /nfs/dbraw/zinc/41/79/36/474417936.db2.gz YHYZUOKHWQQGAA-OALUTQOASA-N 1 3 348.487 2.726 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000248734563 474419438 /nfs/dbraw/zinc/41/94/38/474419438.db2.gz BMORACGVMCHPGS-QCFAMHMHSA-N 1 3 345.531 2.596 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000237511206 474420100 /nfs/dbraw/zinc/42/01/00/474420100.db2.gz UIARPAJLCNIQDW-RDJZCZTQSA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237513642 474421669 /nfs/dbraw/zinc/42/16/69/474421669.db2.gz JZTUPXNNEOWICX-SFNKJDCFSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](N)c1ccccc1 ZINC000237513642 474421675 /nfs/dbraw/zinc/42/16/75/474421675.db2.gz JZTUPXNNEOWICX-SFNKJDCFSA-N 1 3 331.504 2.807 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000237553272 474428693 /nfs/dbraw/zinc/42/86/93/474428693.db2.gz ZMGVSXQPSJHUSO-CRAIPNDOSA-N 1 3 331.504 2.908 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc2)C1 ZINC000237553272 474428700 /nfs/dbraw/zinc/42/87/00/474428700.db2.gz ZMGVSXQPSJHUSO-CRAIPNDOSA-N 1 3 331.504 2.908 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)c1oc2ccccc2c1CN(C)C ZINC000276136800 474429013 /nfs/dbraw/zinc/42/90/13/474429013.db2.gz AQLWTYMMHUOWSB-UHFFFAOYSA-N 1 3 331.460 2.908 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000237566382 474429627 /nfs/dbraw/zinc/42/96/27/474429627.db2.gz GTYSLLIDTJYPCD-AEFFLSMTSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C2(N)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000237566382 474429635 /nfs/dbraw/zinc/42/96/35/474429635.db2.gz GTYSLLIDTJYPCD-AEFFLSMTSA-N 1 3 329.488 2.817 20 0 EFADHO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[C@H](N)c1ccccc1 ZINC000237575476 474432476 /nfs/dbraw/zinc/43/24/76/474432476.db2.gz ALOLGZSXROSVMP-KXBFYZLASA-N 1 3 325.456 2.701 20 0 EFADHO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176342290 474446283 /nfs/dbraw/zinc/44/62/83/474446283.db2.gz DKIVUDCFBUTWNO-QYZOEREBSA-N 1 3 344.503 2.558 20 0 EFADHO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000176342290 474446289 /nfs/dbraw/zinc/44/62/89/474446289.db2.gz DKIVUDCFBUTWNO-QYZOEREBSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237650048 474450091 /nfs/dbraw/zinc/45/00/91/474450091.db2.gz NXOGIEKJSKXPIW-RLLQIKCJSA-N 1 3 343.515 2.793 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000289852429 474455218 /nfs/dbraw/zinc/45/52/18/474455218.db2.gz BGSKJNFGTNLYMI-OKZBNKHCSA-N 1 3 348.462 2.789 20 0 EFADHO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000289852433 474455252 /nfs/dbraw/zinc/45/52/52/474455252.db2.gz BGSKJNFGTNLYMI-RCCFBDPRSA-N 1 3 348.462 2.789 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000289854148 474455416 /nfs/dbraw/zinc/45/54/16/474455416.db2.gz RHLRWWBIJYDUAT-XHSDSOJGSA-N 1 3 336.476 2.941 20 0 EFADHO Cc1cc(NC(=O)C2(N)CCCC2)ccc1OCC[NH+]1CCCC1 ZINC000237688392 474458461 /nfs/dbraw/zinc/45/84/61/474458461.db2.gz SJNHAUROWAGBMW-UHFFFAOYSA-N 1 3 331.460 2.680 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000289858786 474458971 /nfs/dbraw/zinc/45/89/71/474458971.db2.gz BOHKKPBGAQPILU-WMLDXEAASA-N 1 3 336.451 2.912 20 0 EFADHO COc1ccc2c(c1F)CC[C@H]2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000289858786 474458977 /nfs/dbraw/zinc/45/89/77/474458977.db2.gz BOHKKPBGAQPILU-WMLDXEAASA-N 1 3 336.451 2.912 20 0 EFADHO N[C@@H](Cc1ccccc1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000237802984 474478720 /nfs/dbraw/zinc/47/87/20/474478720.db2.gz LFIPOOVPKCRECC-DLBZAZTESA-N 1 3 343.496 2.571 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000176465613 474483032 /nfs/dbraw/zinc/48/30/32/474483032.db2.gz VDXKHIBICRYPKJ-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000176465613 474483038 /nfs/dbraw/zinc/48/30/38/474483038.db2.gz VDXKHIBICRYPKJ-SFHVURJKSA-N 1 3 346.519 2.633 20 0 EFADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000176525241 474492116 /nfs/dbraw/zinc/49/21/16/474492116.db2.gz MYBNSHMNLOFKNI-IKGGRYGDSA-N 1 3 338.540 2.621 20 0 EFADHO CN(CC[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271331905 474495363 /nfs/dbraw/zinc/49/53/63/474495363.db2.gz VSPJTATZAXRAKQ-GOSISDBHSA-N 1 3 329.488 2.707 20 0 EFADHO CN(CC[C@H]1CCC[N@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000271331905 474495372 /nfs/dbraw/zinc/49/53/72/474495372.db2.gz VSPJTATZAXRAKQ-GOSISDBHSA-N 1 3 329.488 2.707 20 0 EFADHO CC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(CC)CC ZINC000271333030 474496041 /nfs/dbraw/zinc/49/60/41/474496041.db2.gz AXTXOHQAHFHIIY-SFHVURJKSA-N 1 3 332.492 2.535 20 0 EFADHO [NH3+][C@@H]1CCC[C@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000237896484 474497865 /nfs/dbraw/zinc/49/78/65/474497865.db2.gz JHGWNROIFHBDDY-JKSUJKDBSA-N 1 3 335.517 2.594 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000237951744 474509245 /nfs/dbraw/zinc/50/92/45/474509245.db2.gz DJRSFOZNVBNHQV-UHFFFAOYSA-N 1 3 329.488 2.547 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000237958395 474511437 /nfs/dbraw/zinc/51/14/37/474511437.db2.gz RAZHBWMGFWWRJC-KRWDZBQOSA-N 1 3 349.544 2.856 20 0 EFADHO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237965943 474512619 /nfs/dbraw/zinc/51/26/19/474512619.db2.gz SZLLQLPNQLUYJB-IBGZPJMESA-N 1 3 329.488 2.547 20 0 EFADHO [NH3+][C@H]1CCC[C@@H](C(=O)NCC2CCN(Cc3cccs3)CC2)C1 ZINC000238013829 474520680 /nfs/dbraw/zinc/52/06/80/474520680.db2.gz JHGWNROIFHBDDY-CVEARBPZSA-N 1 3 335.517 2.594 20 0 EFADHO NC[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000238012020 474521245 /nfs/dbraw/zinc/52/12/45/474521245.db2.gz TZMXPNYWNVBRPC-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO NC[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000238012020 474521253 /nfs/dbraw/zinc/52/12/53/474521253.db2.gz TZMXPNYWNVBRPC-HXUWFJFHSA-N 1 3 343.515 2.844 20 0 EFADHO [NH3+]C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 ZINC000238028217 474524204 /nfs/dbraw/zinc/52/42/04/474524204.db2.gz OXHFTDLDPVBQCM-SJORKVTESA-N 1 3 343.496 2.744 20 0 EFADHO C[C@@H]1CN(CC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000249121619 474531688 /nfs/dbraw/zinc/53/16/88/474531688.db2.gz SUYZPLMMYQVVBB-HLIPFELVSA-N 1 3 338.536 2.749 20 0 EFADHO C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000623015064 480110422 /nfs/dbraw/zinc/11/04/22/480110422.db2.gz AMYHXUMSMPKCRK-APWZRJJASA-N 1 3 333.520 2.503 20 0 EFADHO C[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)[C@@H](c1ccccc1)N(C)C ZINC000623015064 480110426 /nfs/dbraw/zinc/11/04/26/480110426.db2.gz AMYHXUMSMPKCRK-APWZRJJASA-N 1 3 333.520 2.503 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249263761 474549278 /nfs/dbraw/zinc/54/92/78/474549278.db2.gz HQOHZVVXJUSJOM-RTBURBONSA-N 1 3 349.519 2.584 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000249263761 474549285 /nfs/dbraw/zinc/54/92/85/474549285.db2.gz HQOHZVVXJUSJOM-RTBURBONSA-N 1 3 349.519 2.584 20 0 EFADHO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000271446208 474550992 /nfs/dbraw/zinc/55/09/92/474550992.db2.gz NDLXJTRKOISVMJ-SFHVURJKSA-N 1 3 338.499 2.988 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC3CCN(C)CC3)cc2)CN1C1CC1 ZINC000284042837 474557704 /nfs/dbraw/zinc/55/77/04/474557704.db2.gz OVKCCFPWVRZRCD-FUHWJXTLSA-N 1 3 343.515 2.874 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000249352053 474559268 /nfs/dbraw/zinc/55/92/68/474559268.db2.gz QBBAAKJFKFOYFE-RBUKOAKNSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000249352053 474559272 /nfs/dbraw/zinc/55/92/72/474559272.db2.gz QBBAAKJFKFOYFE-RBUKOAKNSA-N 1 3 329.488 2.670 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2scnc2C)[C@@H](C)C1 ZINC000249369218 474561203 /nfs/dbraw/zinc/56/12/03/474561203.db2.gz OUHVQNILPVKLOC-GOEBONIOSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2scnc2C)[C@@H](C)C1 ZINC000249369218 474561211 /nfs/dbraw/zinc/56/12/11/474561211.db2.gz OUHVQNILPVKLOC-GOEBONIOSA-N 1 3 325.522 2.721 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 ZINC000245395708 474578223 /nfs/dbraw/zinc/57/82/23/474578223.db2.gz IQKSJZMVWLGLFZ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249515709 474585486 /nfs/dbraw/zinc/58/54/86/474585486.db2.gz CXPGAMAJCAJEAB-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000249515709 474585488 /nfs/dbraw/zinc/58/54/88/474585488.db2.gz CXPGAMAJCAJEAB-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267106016 474591506 /nfs/dbraw/zinc/59/15/06/474591506.db2.gz LZZHINITNIANFE-LJQANCHMSA-N 1 3 349.544 2.696 20 0 EFADHO Cc1ccccc1C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)C1CC1 ZINC000284249507 474603790 /nfs/dbraw/zinc/60/37/90/474603790.db2.gz IKOHDKXZPPGJFV-FQEVSTJZSA-N 1 3 329.532 2.932 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@@H+](C)[C@H](C)C2CC2)CC1 ZINC000249717545 474606693 /nfs/dbraw/zinc/60/66/93/474606693.db2.gz JTPSHTCEKGNSBZ-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1CN1CCCN(C(=O)C[N@H+](C)[C@H](C)C2CC2)CC1 ZINC000249717545 474606696 /nfs/dbraw/zinc/60/66/96/474606696.db2.gz JTPSHTCEKGNSBZ-GOSISDBHSA-N 1 3 343.515 2.760 20 0 EFADHO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267192953 474614342 /nfs/dbraw/zinc/61/43/42/474614342.db2.gz DOXNWDNMNSLNRA-UEXGIBASSA-N 1 3 343.515 2.522 20 0 EFADHO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267192953 474614348 /nfs/dbraw/zinc/61/43/48/474614348.db2.gz DOXNWDNMNSLNRA-UEXGIBASSA-N 1 3 343.515 2.522 20 0 EFADHO COc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278362990 474622070 /nfs/dbraw/zinc/62/20/70/474622070.db2.gz BLAXACGRPDEWMW-JKSUJKDBSA-N 1 3 336.476 2.855 20 0 EFADHO COc1ccc([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278362990 474622075 /nfs/dbraw/zinc/62/20/75/474622075.db2.gz BLAXACGRPDEWMW-JKSUJKDBSA-N 1 3 336.476 2.855 20 0 EFADHO c1[nH]c2nccnc2c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000291596637 474627363 /nfs/dbraw/zinc/62/73/63/474627363.db2.gz QDLWWDXVMQHDDZ-HDICACEKSA-N 1 3 333.439 2.522 20 0 EFADHO c1[nH]c2nccnc2c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000291596637 474627366 /nfs/dbraw/zinc/62/73/66/474627366.db2.gz QDLWWDXVMQHDDZ-HDICACEKSA-N 1 3 333.439 2.522 20 0 EFADHO C[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)CN1CCCC1 ZINC000267251561 474628464 /nfs/dbraw/zinc/62/84/64/474628464.db2.gz OHOXLZRGKJLEDK-SFHLNBCPSA-N 1 3 345.531 2.770 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291619136 474632546 /nfs/dbraw/zinc/63/25/46/474632546.db2.gz TZBVMUGHJDEMMB-PVAVHDDUSA-N 1 3 332.444 2.527 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1C[C@@H](c2ccccc2)OC1=O ZINC000291619136 474632550 /nfs/dbraw/zinc/63/25/50/474632550.db2.gz TZBVMUGHJDEMMB-PVAVHDDUSA-N 1 3 332.444 2.527 20 0 EFADHO COc1ccc([C@@H](O)C2CC[NH+](CC[C@@H]3CCCN3C)CC2)cc1 ZINC000291631972 474636600 /nfs/dbraw/zinc/63/66/00/474636600.db2.gz DHLMCENHNDRNPJ-AZUAARDMSA-N 1 3 332.488 2.925 20 0 EFADHO C[C@H](NCCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000267292423 474639956 /nfs/dbraw/zinc/63/99/56/474639956.db2.gz YGZLZWNMMUEVRZ-ZDUSSCGKSA-N 1 3 341.293 2.947 20 0 EFADHO c1ccc(CN2CCN(CCCC[NH2+]C[C@@H]3CCSC3)CC2)cc1 ZINC000278422613 474640203 /nfs/dbraw/zinc/64/02/03/474640203.db2.gz QULIOYZQIISAOV-FQEVSTJZSA-N 1 3 347.572 2.927 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000252442434 474659016 /nfs/dbraw/zinc/65/90/16/474659016.db2.gz ZXVKEGKWWRRJAC-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000252442434 474659020 /nfs/dbraw/zinc/65/90/20/474659020.db2.gz ZXVKEGKWWRRJAC-QZTJIDSGSA-N 1 3 338.540 2.672 20 0 EFADHO [NH3+][C@H](CCC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000304913122 474667445 /nfs/dbraw/zinc/66/74/45/474667445.db2.gz KVILQYPZDCOUJY-VQTJNVASSA-N 1 3 337.467 2.857 20 0 EFADHO CC[NH+](CC)[C@H]1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000278505093 474667574 /nfs/dbraw/zinc/66/75/74/474667574.db2.gz ASIDEMALWHEBKL-SFTDATJTSA-N 1 3 345.531 2.694 20 0 EFADHO COc1cc(OC)c(CNCC2CC[NH+](C3CC3)CC2)c(OC)c1 ZINC000278505645 474668077 /nfs/dbraw/zinc/66/80/77/474668077.db2.gz OUJGBQMFDLQSTE-UHFFFAOYSA-N 1 3 334.460 2.676 20 0 EFADHO COc1ccc(C[NH2+]C[C@@H](C)CN(C)C)cc1OCc1cccnc1 ZINC000291776877 474680869 /nfs/dbraw/zinc/68/08/69/474680869.db2.gz UKEWRGNUPIHIOI-MRXNPFEDSA-N 1 3 343.471 2.957 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000267844300 474682755 /nfs/dbraw/zinc/68/27/55/474682755.db2.gz MDVIOKUAPUCHAV-UHFFFAOYSA-N 1 3 340.537 2.553 20 0 EFADHO CC(C)OC[C@H](O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000305075965 474682741 /nfs/dbraw/zinc/68/27/41/474682741.db2.gz NUVMFRWIFPIFAP-IEBWSBKVSA-N 1 3 326.525 2.749 20 0 EFADHO CC(C)OC[C@H](O)CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000305075965 474682746 /nfs/dbraw/zinc/68/27/46/474682746.db2.gz NUVMFRWIFPIFAP-IEBWSBKVSA-N 1 3 326.525 2.749 20 0 EFADHO CN(c1ccccc1C[NH2+][C@@H]1CCC[C@]1(C)CO)C1CCN(C)CC1 ZINC000305089104 474686331 /nfs/dbraw/zinc/68/63/31/474686331.db2.gz OXJOVUSMYRSXJZ-NHCUHLMSSA-N 1 3 345.531 2.858 20 0 EFADHO C[C@@H]1C[N@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000252732845 474709861 /nfs/dbraw/zinc/70/98/61/474709861.db2.gz WUWZWILLGVJJGX-IUODEOHRSA-N 1 3 327.266 2.758 20 0 EFADHO C[C@@H]1C[N@@H+](C)CC[C@H]1NCCOc1ccc(Br)cc1 ZINC000252732845 474709867 /nfs/dbraw/zinc/70/98/67/474709867.db2.gz WUWZWILLGVJJGX-IUODEOHRSA-N 1 3 327.266 2.758 20 0 EFADHO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCN1C1CC1 ZINC000278581947 474717879 /nfs/dbraw/zinc/71/78/79/474717879.db2.gz HJKZOBOIUUXGLT-IBGZPJMESA-N 1 3 329.488 2.724 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000344397211 474718627 /nfs/dbraw/zinc/71/86/27/474718627.db2.gz XRGZLNYSTGEPTC-IAGOWNOFSA-N 1 3 329.488 2.771 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000273172555 474758261 /nfs/dbraw/zinc/75/82/61/474758261.db2.gz FEJAUGASFLPAPC-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CC2CCN(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000273172555 474758269 /nfs/dbraw/zinc/75/82/69/474758269.db2.gz FEJAUGASFLPAPC-XLIONFOSSA-N 1 3 343.515 2.888 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268036907 474763971 /nfs/dbraw/zinc/76/39/71/474763971.db2.gz NJMRGLUMNDQLAP-UHFFFAOYSA-N 1 3 340.537 2.553 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)N(CCN(C)C)Cc1cccs1 ZINC000268036907 474763975 /nfs/dbraw/zinc/76/39/75/474763975.db2.gz NJMRGLUMNDQLAP-UHFFFAOYSA-N 1 3 340.537 2.553 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC(C[NH+](C)C)CC1 ZINC000338947627 474766556 /nfs/dbraw/zinc/76/65/56/474766556.db2.gz INDJCXCWZODXSG-UHFFFAOYSA-N 1 3 327.476 2.658 20 0 EFADHO C[C@@H](C1CC1)[N@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000253567610 474768675 /nfs/dbraw/zinc/76/86/75/474768675.db2.gz ACVFYTAJAIBKBY-HNAYVOBHSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H](C1CC1)[N@@H+](CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000253567610 474768682 /nfs/dbraw/zinc/76/86/82/474768682.db2.gz ACVFYTAJAIBKBY-HNAYVOBHSA-N 1 3 329.488 2.668 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717174 474785312 /nfs/dbraw/zinc/78/53/12/474785312.db2.gz BXAROSLUIJMSFX-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CCC2)C1 ZINC000344717174 474785318 /nfs/dbraw/zinc/78/53/18/474785318.db2.gz BXAROSLUIJMSFX-ROUUACIJSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000340928442 474787155 /nfs/dbraw/zinc/78/71/55/474787155.db2.gz DKGCIBBXJJQXNF-LPHOPBHVSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000623065037 480126637 /nfs/dbraw/zinc/12/66/37/480126637.db2.gz OBEPKPOKTJFNNS-MSOLQXFVSA-N 1 3 344.503 2.992 20 0 EFADHO CN(C/C=C\C[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000255084768 474802249 /nfs/dbraw/zinc/80/22/49/474802249.db2.gz JIOVVONWDFPDKG-ARJAWSKDSA-N 1 3 336.530 2.805 20 0 EFADHO CN(C/C=C\C[N@@H+](C)CCc1nccs1)CCc1nccs1 ZINC000255084768 474802256 /nfs/dbraw/zinc/80/22/56/474802256.db2.gz JIOVVONWDFPDKG-ARJAWSKDSA-N 1 3 336.530 2.805 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@H+](CC)C[C@H]2C)[C@H]1c1ccccc1 ZINC000344868119 474803274 /nfs/dbraw/zinc/80/32/74/474803274.db2.gz VEORJMQCGZDWDY-BVOGOJNSSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CCO[C@@H](CN[C@H]2CC[N@@H+](CC)C[C@H]2C)[C@H]1c1ccccc1 ZINC000344868119 474803282 /nfs/dbraw/zinc/80/32/82/474803282.db2.gz VEORJMQCGZDWDY-BVOGOJNSSA-N 1 3 345.531 2.768 20 0 EFADHO CCN1CC[C@H]([NH2+]C[C@@H]2OCCN(CC)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000344868119 474803290 /nfs/dbraw/zinc/80/32/90/474803290.db2.gz VEORJMQCGZDWDY-BVOGOJNSSA-N 1 3 345.531 2.768 20 0 EFADHO C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000338990633 474810648 /nfs/dbraw/zinc/81/06/48/474810648.db2.gz RSLYYFXREMFBJU-MRXNPFEDSA-N 1 3 334.508 2.536 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000340957634 474818013 /nfs/dbraw/zinc/81/80/13/474818013.db2.gz IPMSGJODBYVJTN-SZMVWBNQSA-N 1 3 338.540 2.669 20 0 EFADHO FC(F)Cn1cc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000310093787 474822167 /nfs/dbraw/zinc/82/21/67/474822167.db2.gz SYHZVZGHUXRYBR-INIZCTEOSA-N 1 3 334.414 2.760 20 0 EFADHO CC[C@@]1(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CCC[NH2+]1 ZINC000310080625 474822752 /nfs/dbraw/zinc/82/27/52/474822752.db2.gz JAGCZIBSUWSVPP-ICSRJNTNSA-N 1 3 329.488 2.547 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccsc1 ZINC000278768239 474824777 /nfs/dbraw/zinc/82/47/77/474824777.db2.gz GOLICPOSCAIUCQ-INIZCTEOSA-N 1 3 335.517 2.876 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292065825 474827768 /nfs/dbraw/zinc/82/77/68/474827768.db2.gz CZOPEGYXZTXXSX-HXUWFJFHSA-N 1 3 348.487 2.890 20 0 EFADHO COc1cccc(OC)c1OCCCCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292065825 474827778 /nfs/dbraw/zinc/82/77/78/474827778.db2.gz CZOPEGYXZTXXSX-HXUWFJFHSA-N 1 3 348.487 2.890 20 0 EFADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000310867155 474829363 /nfs/dbraw/zinc/82/93/63/474829363.db2.gz DWZFXWAEGDJDQR-QGZVFWFLSA-N 1 3 335.451 2.542 20 0 EFADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CNC2 ZINC000310867155 474829371 /nfs/dbraw/zinc/82/93/71/474829371.db2.gz DWZFXWAEGDJDQR-QGZVFWFLSA-N 1 3 335.451 2.542 20 0 EFADHO CCc1cc(OC)ccc1CNCc1ccnc(OCC[NH+](C)C)c1 ZINC000337254623 474830889 /nfs/dbraw/zinc/83/08/89/474830889.db2.gz MIVUUCQFVRKUPC-UHFFFAOYSA-N 1 3 343.471 2.883 20 0 EFADHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000273301717 474830890 /nfs/dbraw/zinc/83/08/90/474830890.db2.gz UVQQMJJIZSSVEI-INIZCTEOSA-N 1 3 331.504 2.934 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000340969308 474831598 /nfs/dbraw/zinc/83/15/98/474831598.db2.gz ZYNLMDOOOHAKFG-QFBILLFUSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000340969308 474831604 /nfs/dbraw/zinc/83/16/04/474831604.db2.gz ZYNLMDOOOHAKFG-QFBILLFUSA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000340969305 474831955 /nfs/dbraw/zinc/83/19/55/474831955.db2.gz ZYNLMDOOOHAKFG-APWZRJJASA-N 1 3 346.519 2.809 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000340969305 474831963 /nfs/dbraw/zinc/83/19/63/474831963.db2.gz ZYNLMDOOOHAKFG-APWZRJJASA-N 1 3 346.519 2.809 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311207198 474836687 /nfs/dbraw/zinc/83/66/87/474836687.db2.gz JTYAGALYIUGWNT-NJDAHSKKSA-N 1 3 346.515 2.618 20 0 EFADHO CCCCOC[C@H](O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311207198 474836694 /nfs/dbraw/zinc/83/66/94/474836694.db2.gz JTYAGALYIUGWNT-NJDAHSKKSA-N 1 3 346.515 2.618 20 0 EFADHO Cc1ccc(C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)c(=O)n1C ZINC000278794399 474840081 /nfs/dbraw/zinc/84/00/81/474840081.db2.gz QXEXQPNVYGGBBI-UHFFFAOYSA-N 1 3 341.499 2.942 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292089892 474841242 /nfs/dbraw/zinc/84/12/42/474841242.db2.gz NCKWMORZGPITOY-PMACEKPBSA-N 1 3 343.515 2.889 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292089896 474842419 /nfs/dbraw/zinc/84/24/19/474842419.db2.gz NCKWMORZGPITOY-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976887 474849032 /nfs/dbraw/zinc/84/90/32/474849032.db2.gz XOGYECMJVVKNBF-RKNHFHLDSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976887 474849036 /nfs/dbraw/zinc/84/90/36/474849036.db2.gz XOGYECMJVVKNBF-RKNHFHLDSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)[C@@H]1c1ccccc1 ZINC000284976887 474849045 /nfs/dbraw/zinc/84/90/45/474849045.db2.gz XOGYECMJVVKNBF-RKNHFHLDSA-N 1 3 345.531 2.767 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCCCn1cc(Br)cn1 ZINC000312433589 474850672 /nfs/dbraw/zinc/85/06/72/474850672.db2.gz IKPGNYHPWHXYCN-HIFRSBDPSA-N 1 3 343.313 2.936 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341007570 474874161 /nfs/dbraw/zinc/87/41/61/474874161.db2.gz ARNLYCAHYYUIIQ-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CC(C)C[C@H](CN(C)C)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341007570 474874169 /nfs/dbraw/zinc/87/41/69/474874169.db2.gz ARNLYCAHYYUIIQ-QZTJIDSGSA-N 1 3 338.540 2.526 20 0 EFADHO CC[N@H+](CCC1CCN(CCN2CCO[C@@H](C)C2)CC1)CC(C)C ZINC000337301583 474874445 /nfs/dbraw/zinc/87/44/45/474874445.db2.gz OMXXERKTVSSXPV-IBGZPJMESA-N 1 3 339.568 2.787 20 0 EFADHO CC[N@@H+](CCC1CCN(CCN2CCO[C@@H](C)C2)CC1)CC(C)C ZINC000337301583 474874452 /nfs/dbraw/zinc/87/44/52/474874452.db2.gz OMXXERKTVSSXPV-IBGZPJMESA-N 1 3 339.568 2.787 20 0 EFADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000268227869 474875245 /nfs/dbraw/zinc/87/52/45/474875245.db2.gz RSNXQLBAYJGASF-GUYCJALGSA-N 1 3 341.455 2.707 20 0 EFADHO [NH3+]CCCOC1CCN(CCCOc2ccc(Cl)cc2)CC1 ZINC000317573267 474888158 /nfs/dbraw/zinc/88/81/58/474888158.db2.gz OYMHQXDZSZTIJM-UHFFFAOYSA-N 1 3 326.868 2.939 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)CN(C)C ZINC000293245910 474889848 /nfs/dbraw/zinc/88/98/48/474889848.db2.gz BJQYUEFMSUDVAY-CVEARBPZSA-N 1 3 330.476 2.847 20 0 EFADHO COc1cc(C[NH2+]CCCN(C)CCN(C)C)cc2ccccc21 ZINC000623087460 480132463 /nfs/dbraw/zinc/13/24/63/480132463.db2.gz SNFLIIPZAVFCIL-UHFFFAOYSA-N 1 3 329.488 2.822 20 0 EFADHO Oc1cccc2c1CCC[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000285112521 474895685 /nfs/dbraw/zinc/89/56/85/474895685.db2.gz KUOBQMNPJSEYQT-NLWGTHIKSA-N 1 3 330.472 2.737 20 0 EFADHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1c(F)cccc1Cl ZINC000339070709 474899226 /nfs/dbraw/zinc/89/92/26/474899226.db2.gz OAYSNLPBRPDCEV-SOUVJXGZSA-N 1 3 340.870 2.847 20 0 EFADHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1c(F)cccc1Cl ZINC000339070709 474899236 /nfs/dbraw/zinc/89/92/36/474899236.db2.gz OAYSNLPBRPDCEV-SOUVJXGZSA-N 1 3 340.870 2.847 20 0 EFADHO CCN1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000337329654 474903142 /nfs/dbraw/zinc/90/31/42/474903142.db2.gz FCHINIMIJPITNV-SFHVURJKSA-N 1 3 338.540 2.526 20 0 EFADHO CC(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000278909658 474909158 /nfs/dbraw/zinc/90/91/58/474909158.db2.gz JMACXPDUCLWGKI-QHAWAJNXSA-N 1 3 343.515 2.793 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337348577 474922842 /nfs/dbraw/zinc/92/28/42/474922842.db2.gz ZDAFRBWFFOGUDA-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](c1ccccc1)N(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000337348577 474922848 /nfs/dbraw/zinc/92/28/48/474922848.db2.gz ZDAFRBWFFOGUDA-LMMKCTJWSA-N 1 3 346.519 2.709 20 0 EFADHO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCCN(Cc2ccccc2)CC1 ZINC000323556385 474951112 /nfs/dbraw/zinc/95/11/12/474951112.db2.gz SAKDKOKOVIWIQF-SFHVURJKSA-N 1 3 329.488 2.501 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000337374842 474952653 /nfs/dbraw/zinc/95/26/53/474952653.db2.gz UNHMLJPJEVZCRW-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000337374842 474952661 /nfs/dbraw/zinc/95/26/61/474952661.db2.gz UNHMLJPJEVZCRW-MSOLQXFVSA-N 1 3 338.540 2.815 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000278980730 474953761 /nfs/dbraw/zinc/95/37/61/474953761.db2.gz YNGOPFOAFHGTKE-MJGOQNOKSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C23CCCN2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000278980730 474953770 /nfs/dbraw/zinc/95/37/70/474953770.db2.gz YNGOPFOAFHGTKE-MJGOQNOKSA-N 1 3 341.499 2.784 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1Cc1ccccc1 ZINC000278980730 474953779 /nfs/dbraw/zinc/95/37/79/474953779.db2.gz YNGOPFOAFHGTKE-MJGOQNOKSA-N 1 3 341.499 2.784 20 0 EFADHO [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323925293 474958541 /nfs/dbraw/zinc/95/85/41/474958541.db2.gz OVDIVVCQJYGASY-OALUTQOASA-N 1 3 329.488 2.629 20 0 EFADHO Cc1cccc(-c2n[nH]cc2CNCC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000268435027 474975803 /nfs/dbraw/zinc/97/58/03/474975803.db2.gz PZRPTZQVPMWXIT-UHFFFAOYSA-N 1 3 342.487 2.710 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000324763389 474977087 /nfs/dbraw/zinc/97/70/87/474977087.db2.gz XBJYMLAAFFEERA-MJGOQNOKSA-N 1 3 331.504 2.966 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CC)C1 ZINC000341108807 474982607 /nfs/dbraw/zinc/98/26/07/474982607.db2.gz RVZHSKAAYZATMQ-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCN2CC)C1 ZINC000341108807 474982615 /nfs/dbraw/zinc/98/26/15/474982615.db2.gz RVZHSKAAYZATMQ-IAGOWNOFSA-N 1 3 338.540 2.671 20 0 EFADHO CN(C(=O)CC[C@H]1CCC[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000261563418 474982811 /nfs/dbraw/zinc/98/28/11/474982811.db2.gz XCBXGFLFIUDHME-GOSISDBHSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H](NC(=O)c1ccc2c(c1)CNC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261577191 474985345 /nfs/dbraw/zinc/98/53/45/474985345.db2.gz CNBLSSDBCAROIJ-OXJNMPFZSA-N 1 3 349.478 2.930 20 0 EFADHO C[C@H](NC(=O)c1ccc2c(c1)CNC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261577191 474985349 /nfs/dbraw/zinc/98/53/49/474985349.db2.gz CNBLSSDBCAROIJ-OXJNMPFZSA-N 1 3 349.478 2.930 20 0 EFADHO Cc1cc(Cl)ccc1CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261597654 474986907 /nfs/dbraw/zinc/98/69/07/474986907.db2.gz AEHNKHBSAHEIQN-CRAIPNDOSA-N 1 3 349.906 2.729 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2c[nH]nc2-c2ccccc2F)CC1 ZINC000268458472 474991087 /nfs/dbraw/zinc/99/10/87/474991087.db2.gz YSAPCLCSPAMICE-UHFFFAOYSA-N 1 3 346.450 2.541 20 0 EFADHO COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)c1 ZINC000261615688 474996687 /nfs/dbraw/zinc/99/66/87/474996687.db2.gz FLGYGTUKKSWGID-WCIQWLHISA-N 1 3 331.504 2.808 20 0 EFADHO COCC[C@@H](c1ccccc1)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000341123010 474999951 /nfs/dbraw/zinc/99/99/51/474999951.db2.gz HIQPIWMTSFUSHV-FQEVSTJZSA-N 1 3 333.520 2.722 20 0 EFADHO COCC[C@@H](c1ccccc1)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000341123010 474999957 /nfs/dbraw/zinc/99/99/57/474999957.db2.gz HIQPIWMTSFUSHV-FQEVSTJZSA-N 1 3 333.520 2.722 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000261647060 475008496 /nfs/dbraw/zinc/00/84/96/475008496.db2.gz JEOGJTORIWNIKW-CEXWTWQISA-N 1 3 329.488 2.625 20 0 EFADHO Cc1ccc(C(=O)NCCN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000261647066 475009595 /nfs/dbraw/zinc/00/95/95/475009595.db2.gz JEOGJTORIWNIKW-IPMKNSEASA-N 1 3 329.488 2.625 20 0 EFADHO COCCOc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261669677 475018719 /nfs/dbraw/zinc/01/87/19/475018719.db2.gz JBACTKIJUPAJGY-CTNGQTDRSA-N 1 3 340.467 2.886 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261674740 475020406 /nfs/dbraw/zinc/02/04/06/475020406.db2.gz AWFPHXNDCFEDLL-AZUAARDMSA-N 1 3 343.515 2.747 20 0 EFADHO COCC[N@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCC[C@@H]1C ZINC000337447680 475028026 /nfs/dbraw/zinc/02/80/26/475028026.db2.gz CVAOCEJYPCLSJO-RBUKOAKNSA-N 1 3 325.541 2.540 20 0 EFADHO COCC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@@H]1CCC[C@@H]1C ZINC000337447680 475028034 /nfs/dbraw/zinc/02/80/34/475028034.db2.gz CVAOCEJYPCLSJO-RBUKOAKNSA-N 1 3 325.541 2.540 20 0 EFADHO COc1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1OC(F)F ZINC000261695713 475029309 /nfs/dbraw/zinc/02/93/09/475029309.db2.gz BHOXEWRKEYWWAM-UHFFFAOYSA-N 1 3 326.387 2.872 20 0 EFADHO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261702261 475031023 /nfs/dbraw/zinc/03/10/23/475031023.db2.gz INJLGFDRYGHMLN-MTFMMBMASA-N 1 3 343.515 2.873 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000261702266 475032131 /nfs/dbraw/zinc/03/21/31/475032131.db2.gz INJLGFDRYGHMLN-RSPOEFSDSA-N 1 3 343.515 2.873 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000339227907 475058174 /nfs/dbraw/zinc/05/81/74/475058174.db2.gz FACHIDLGORVRLI-IBGZPJMESA-N 1 3 329.488 2.631 20 0 EFADHO CNC(=O)C[C@H](C)[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000268912140 475065698 /nfs/dbraw/zinc/06/56/98/475065698.db2.gz UCQOTUAZILCXTJ-AWEZNQCLSA-N 1 3 337.895 2.666 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1cccs1 ZINC000261810633 475070229 /nfs/dbraw/zinc/07/02/29/475070229.db2.gz LWHNOGPQACDRBN-DAYGRLMNSA-N 1 3 335.517 2.637 20 0 EFADHO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc(OCCN(C)C)cc1 ZINC000268932704 475080392 /nfs/dbraw/zinc/08/03/92/475080392.db2.gz ZYLMAQKMYVTMGE-HNNXBMFYSA-N 1 3 330.476 2.562 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[C@H]1c1ccccc1 ZINC000345310429 475082957 /nfs/dbraw/zinc/08/29/57/475082957.db2.gz XOGYECMJVVKNBF-CXUGJCBMSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[C@H]1c1ccccc1 ZINC000345310429 475082962 /nfs/dbraw/zinc/08/29/62/475082962.db2.gz XOGYECMJVVKNBF-CXUGJCBMSA-N 1 3 345.531 2.767 20 0 EFADHO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)[C@H]1c1ccccc1 ZINC000345310429 475082972 /nfs/dbraw/zinc/08/29/72/475082972.db2.gz XOGYECMJVVKNBF-CXUGJCBMSA-N 1 3 345.531 2.767 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1cccc(OCCN(C)C)c1 ZINC000268981998 475108697 /nfs/dbraw/zinc/10/86/97/475108697.db2.gz DBDFZRGQAFCVLQ-GQIGUUNPSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H](NC(=O)NCCC1CC[NH+](C)CC1)[C@@H](c1ccccc1)N(C)C ZINC000287352491 475110233 /nfs/dbraw/zinc/11/02/33/475110233.db2.gz JGXXWQMGPZQQIH-LPHOPBHVSA-N 1 3 346.519 2.709 20 0 EFADHO Cc1ccc(NC(=O)NC[C@@H]2CCCN(C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000261922925 475114178 /nfs/dbraw/zinc/11/41/78/475114178.db2.gz KRSBCQIQHPNWLO-ROUUACIJSA-N 1 3 344.503 2.828 20 0 EFADHO CC1(C)Cc2cc(C[NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)ccc2O1 ZINC000268991173 475115332 /nfs/dbraw/zinc/11/53/32/475115332.db2.gz WAIRQKYWVCRMJB-RTBURBONSA-N 1 3 344.499 2.868 20 0 EFADHO Cc1ccc([C@@H](O)CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000268996032 475118530 /nfs/dbraw/zinc/11/85/30/475118530.db2.gz NPBDDHVWXVJZPH-QAPCUYQASA-N 1 3 332.444 2.913 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996069 475118969 /nfs/dbraw/zinc/11/89/69/475118969.db2.gz NRRITIZUIYXCLV-VAMGGRTRSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N(C)C ZINC000268996069 475118977 /nfs/dbraw/zinc/11/89/77/475118977.db2.gz NRRITIZUIYXCLV-VAMGGRTRSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1OC(F)F ZINC000269001242 475120970 /nfs/dbraw/zinc/12/09/70/475120970.db2.gz PEKCVNAJSXXXKD-CQSZACIVSA-N 1 3 328.403 2.785 20 0 EFADHO CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccccc1OC(F)F ZINC000269001239 475121240 /nfs/dbraw/zinc/12/12/40/475121240.db2.gz PEKCVNAJSXXXKD-AWEZNQCLSA-N 1 3 328.403 2.785 20 0 EFADHO CN(C)[C@@]1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CCSC1 ZINC000269016765 475127767 /nfs/dbraw/zinc/12/77/67/475127767.db2.gz YUNKEAQFFOUJRT-HXUWFJFHSA-N 1 3 347.572 2.720 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000269015851 475128349 /nfs/dbraw/zinc/12/83/49/475128349.db2.gz OJNYINAXKZXBTJ-FTRWYGJKSA-N 1 3 331.504 2.760 20 0 EFADHO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(OCCN(C)C)cc1 ZINC000269015858 475128503 /nfs/dbraw/zinc/12/85/03/475128503.db2.gz OJNYINAXKZXBTJ-TWOQFEAHSA-N 1 3 331.504 2.760 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000261970712 475131888 /nfs/dbraw/zinc/13/18/88/475131888.db2.gz CYVWPLSFVWWCSM-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[NH2+]CCC1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000261970711 475131907 /nfs/dbraw/zinc/13/19/07/475131907.db2.gz CYVWPLSFVWWCSM-CABCVRRESA-N 1 3 335.467 2.713 20 0 EFADHO C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)N1CCC(C)CC1 ZINC000345372758 475133793 /nfs/dbraw/zinc/13/37/93/475133793.db2.gz HFXCPWPKJFFSTC-QZTJIDSGSA-N 1 3 338.540 2.671 20 0 EFADHO CN1CCC[C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1cccs1 ZINC000261991931 475139617 /nfs/dbraw/zinc/13/96/17/475139617.db2.gz YJKADWPCPJBTNZ-BFYDXBDKSA-N 1 3 347.528 2.637 20 0 EFADHO COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc(OC)c1OC ZINC000295996004 475159149 /nfs/dbraw/zinc/15/91/49/475159149.db2.gz PZGVCLAUQRLSJZ-OHRKKDJYSA-N 1 3 334.460 2.988 20 0 EFADHO CCC[C@](C)(N)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262091116 475169403 /nfs/dbraw/zinc/16/94/03/475169403.db2.gz AESQHWBIDPMXBK-QUCCMNQESA-N 1 3 331.504 2.875 20 0 EFADHO CCC[C@](C)(N)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262091116 475169410 /nfs/dbraw/zinc/16/94/10/475169410.db2.gz AESQHWBIDPMXBK-QUCCMNQESA-N 1 3 331.504 2.875 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000262151235 475185839 /nfs/dbraw/zinc/18/58/39/475185839.db2.gz YYERRCKNPSHZOJ-UHFFFAOYSA-N 1 3 329.488 2.744 20 0 EFADHO [NH3+][C@@H]1CC[C@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@H]12 ZINC000262198148 475196706 /nfs/dbraw/zinc/19/67/06/475196706.db2.gz ZUKGXFFBNNIKNA-NZVBXONLSA-N 1 3 343.240 2.636 20 0 EFADHO [NH3+][C@@H]1CC[C@@H]2CN(CCOc3cc(F)cc(Br)c3)C[C@@H]12 ZINC000262198152 475197010 /nfs/dbraw/zinc/19/70/10/475197010.db2.gz ZUKGXFFBNNIKNA-VCTAVGKDSA-N 1 3 343.240 2.636 20 0 EFADHO CCC(CC)[C@@H](CNC(=O)NCCN1CCCCC1)[NH+]1CCCC1 ZINC000339408306 475198850 /nfs/dbraw/zinc/19/88/50/475198850.db2.gz XYCUUXWDRKGCHZ-GOSISDBHSA-N 1 3 338.540 2.672 20 0 EFADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000262215268 475201088 /nfs/dbraw/zinc/20/10/88/475201088.db2.gz MDEBZNGQSWIEEX-PWRODBHTSA-N 1 3 349.478 2.604 20 0 EFADHO CCn1cc([C@@H](C)NC/C=C/C[NH2+][C@H](C)c2cnn(CC)c2)cn1 ZINC000296143419 475207484 /nfs/dbraw/zinc/20/74/84/475207484.db2.gz RZJMFGQYINKZQB-XLBHYRNJSA-N 1 3 330.480 2.677 20 0 EFADHO CC(C)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)[NH+]1CCCCCC1 ZINC000345478302 475212210 /nfs/dbraw/zinc/21/22/10/475212210.db2.gz JQOYJYMPQSYKHA-KURKYZTESA-N 1 3 338.540 2.669 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cc(F)cc(F)c3)C2)C1 ZINC000339433973 475214884 /nfs/dbraw/zinc/21/48/84/475214884.db2.gz TYPNQYWUKFJVNO-GOSISDBHSA-N 1 3 337.414 2.711 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cc(F)cc(F)c3)C2)C1 ZINC000339433973 475214886 /nfs/dbraw/zinc/21/48/86/475214886.db2.gz TYPNQYWUKFJVNO-GOSISDBHSA-N 1 3 337.414 2.711 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)N2CCCC2)cc1 ZINC000262313149 475219192 /nfs/dbraw/zinc/21/91/92/475219192.db2.gz BSHYHABXYVWDSH-WDSOQIARSA-N 1 3 329.488 2.636 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339440081 475219645 /nfs/dbraw/zinc/21/96/45/475219645.db2.gz XKDRYCQKOFYIDG-IBGZPJMESA-N 1 3 333.451 2.880 20 0 EFADHO Cc1c(F)cccc1NC(=O)CCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339440081 475219648 /nfs/dbraw/zinc/21/96/48/475219648.db2.gz XKDRYCQKOFYIDG-IBGZPJMESA-N 1 3 333.451 2.880 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000339462264 475230460 /nfs/dbraw/zinc/23/04/60/475230460.db2.gz PDLZUSGAAJOKGZ-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)N1CCCCC1 ZINC000339462260 475230736 /nfs/dbraw/zinc/23/07/36/475230736.db2.gz PDLZUSGAAJOKGZ-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1C[C@@H](C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC[NH2+]1 ZINC000262415052 475236194 /nfs/dbraw/zinc/23/61/94/475236194.db2.gz PTDBSXVIXAEMIH-RDJZCZTQSA-N 1 3 347.528 2.605 20 0 EFADHO CCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262441573 475240956 /nfs/dbraw/zinc/24/09/56/475240956.db2.gz UZLNXPCOWKTUBQ-MDZRGWNJSA-N 1 3 329.488 2.526 20 0 EFADHO CCN(C(=O)[C@H](C)C1C[NH2+]C1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262441568 475241277 /nfs/dbraw/zinc/24/12/77/475241277.db2.gz UZLNXPCOWKTUBQ-GJYPPUQNSA-N 1 3 329.488 2.526 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000262554514 475258002 /nfs/dbraw/zinc/25/80/02/475258002.db2.gz VRYLCDAONCYMSH-ZYSHUDEJSA-N 1 3 331.504 2.952 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357924691 475265978 /nfs/dbraw/zinc/26/59/78/475265978.db2.gz VRBYGHAGZZTURN-LMMKCTJWSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000357924691 475265982 /nfs/dbraw/zinc/26/59/82/475265982.db2.gz VRBYGHAGZZTURN-LMMKCTJWSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357925478 475266300 /nfs/dbraw/zinc/26/63/00/475266300.db2.gz VRBYGHAGZZTURN-SCTDSRPQSA-N 1 3 346.519 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000357925478 475266308 /nfs/dbraw/zinc/26/63/08/475266308.db2.gz VRBYGHAGZZTURN-SCTDSRPQSA-N 1 3 346.519 2.535 20 0 EFADHO CCC[N@H+](CC)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000357935100 475274120 /nfs/dbraw/zinc/27/41/20/475274120.db2.gz NGPQSVFSQLCQAB-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCC[N@@H+](CC)CC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000357935100 475274130 /nfs/dbraw/zinc/27/41/30/475274130.db2.gz NGPQSVFSQLCQAB-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N1CCCCC1 ZINC000354598907 475280165 /nfs/dbraw/zinc/28/01/65/475280165.db2.gz LCPAYPDJJXYKDX-QRVBRYPASA-N 1 3 337.552 2.981 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)cccc1C ZINC000347395662 475294363 /nfs/dbraw/zinc/29/43/63/475294363.db2.gz HJNMXBMMBRPINJ-IBGZPJMESA-N 1 3 345.531 2.720 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cc1c(C)cccc1C ZINC000347395662 475294372 /nfs/dbraw/zinc/29/43/72/475294372.db2.gz HJNMXBMMBRPINJ-IBGZPJMESA-N 1 3 345.531 2.720 20 0 EFADHO Cc1ccc(Cl)c(OC[C@H](O)CN2CCC(C[NH+](C)C)CC2)c1 ZINC000347397491 475295592 /nfs/dbraw/zinc/29/55/92/475295592.db2.gz ZCBICJKAVTVZTH-MRXNPFEDSA-N 1 3 340.895 2.662 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337762803 475303132 /nfs/dbraw/zinc/30/31/32/475303132.db2.gz AGWDOIRJGKGHMU-RTBURBONSA-N 1 3 343.515 2.888 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337762803 475303141 /nfs/dbraw/zinc/30/31/41/475303141.db2.gz AGWDOIRJGKGHMU-RTBURBONSA-N 1 3 343.515 2.888 20 0 EFADHO [NH3+]CCCN(Cc1cc(=O)n2cc(Cl)ccc2n1)CC1CCCC1 ZINC000352478470 475332914 /nfs/dbraw/zinc/33/29/14/475332914.db2.gz XDDOYXOQTCDWEN-UHFFFAOYSA-N 1 3 348.878 2.689 20 0 EFADHO COC1CC([NH2+]CCCOC2CCN(Cc3ccccc3)CC2)C1 ZINC000347415696 475308653 /nfs/dbraw/zinc/30/86/53/475308653.db2.gz NLIRRNUYRSJKPS-UHFFFAOYSA-N 1 3 332.488 2.825 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC2CC(c3ccccc3Cl)C2)C1 ZINC000352464512 475319773 /nfs/dbraw/zinc/31/97/73/475319773.db2.gz UWZJTCPEZOYLHW-QQFBHYJXSA-N 1 3 349.906 2.763 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC2CC(c3ccccc3Cl)C2)C1 ZINC000352464512 475319780 /nfs/dbraw/zinc/31/97/80/475319780.db2.gz UWZJTCPEZOYLHW-QQFBHYJXSA-N 1 3 349.906 2.763 20 0 EFADHO CC(C)CC[C@H](O)C[NH+]1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000361275570 475320395 /nfs/dbraw/zinc/32/03/95/475320395.db2.gz XQGWSFONUKCJLV-GGPKGHCWSA-N 1 3 340.552 2.995 20 0 EFADHO CCN1C[C@@H](C)[C@H]([NH2+]CCCCN2CCN(c3ccccc3)CC2)C1 ZINC000358005000 475328349 /nfs/dbraw/zinc/32/83/49/475328349.db2.gz MGCXIAYLIJYBCX-TZIWHRDSSA-N 1 3 344.547 2.519 20 0 EFADHO CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000296488514 475338906 /nfs/dbraw/zinc/33/89/06/475338906.db2.gz OOLORDNOGKOAGG-LPHOPBHVSA-N 1 3 349.519 2.781 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000352503632 475358679 /nfs/dbraw/zinc/35/86/79/475358679.db2.gz IKIAQCXYXJVUPZ-CQSZACIVSA-N 1 3 339.867 2.881 20 0 EFADHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000352502946 475359297 /nfs/dbraw/zinc/35/92/97/475359297.db2.gz AJRHRLKZHVSZRN-PKOBYXMFSA-N 1 3 329.488 2.774 20 0 EFADHO Cn1ccnc1COc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000352508327 475362755 /nfs/dbraw/zinc/36/27/55/475362755.db2.gz GIGOXRNVEQHHAE-KRWDZBQOSA-N 1 3 328.460 2.702 20 0 EFADHO Cc1ccc([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1 ZINC000361341501 475369462 /nfs/dbraw/zinc/36/94/62/475369462.db2.gz PBGFJHACGCENBJ-QGZVFWFLSA-N 1 3 331.504 2.897 20 0 EFADHO Cc1ccc2c(c1)[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)CC2 ZINC000361342298 475370645 /nfs/dbraw/zinc/37/06/45/475370645.db2.gz VDIWRADMWKOPMM-IBGZPJMESA-N 1 3 329.488 2.515 20 0 EFADHO CSc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358065498 475372268 /nfs/dbraw/zinc/37/22/68/475372268.db2.gz RUZHFUFNPMRRSQ-FUHWJXTLSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000358065498 475372274 /nfs/dbraw/zinc/37/22/74/475372274.db2.gz RUZHFUFNPMRRSQ-FUHWJXTLSA-N 1 3 333.545 2.866 20 0 EFADHO CSc1ccccc1CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000358065498 475372283 /nfs/dbraw/zinc/37/22/83/475372283.db2.gz RUZHFUFNPMRRSQ-FUHWJXTLSA-N 1 3 333.545 2.866 20 0 EFADHO COCCCN(C)CC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000361364860 475387975 /nfs/dbraw/zinc/38/79/75/475387975.db2.gz FZEGBMFYQWNYMB-UYAOXDASSA-N 1 3 333.520 2.597 20 0 EFADHO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000358097072 475396573 /nfs/dbraw/zinc/39/65/73/475396573.db2.gz MTVLJUWJJKIQEU-IXYNUQLISA-N 1 3 335.879 2.764 20 0 EFADHO C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000358096022 475397217 /nfs/dbraw/zinc/39/72/17/475397217.db2.gz MREUVTIKQUMVNJ-KRWDZBQOSA-N 1 3 336.524 2.592 20 0 EFADHO CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358100092 475398314 /nfs/dbraw/zinc/39/83/14/475398314.db2.gz XBKQGUGZFYKGOF-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000358100092 475398322 /nfs/dbraw/zinc/39/83/22/475398322.db2.gz XBKQGUGZFYKGOF-HZPDHXFCSA-N 1 3 326.529 2.526 20 0 EFADHO N[C@H](CC(F)F)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000345727992 475400089 /nfs/dbraw/zinc/40/00/89/475400089.db2.gz ZPKXSVQBFKBLEF-OAHLLOKOSA-N 1 3 325.403 2.984 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361383869 475404124 /nfs/dbraw/zinc/40/41/24/475404124.db2.gz AGHSQMFFSJFZIT-FQEVSTJZSA-N 1 3 341.499 2.594 20 0 EFADHO C[N@H+](Cc1ccccc1)CC1CCN([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361383869 475404132 /nfs/dbraw/zinc/40/41/32/475404132.db2.gz AGHSQMFFSJFZIT-FQEVSTJZSA-N 1 3 341.499 2.594 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000354786576 475409550 /nfs/dbraw/zinc/40/95/50/475409550.db2.gz AXHUGYXBVUDUPI-NEWSRXKRSA-N 1 3 331.504 2.932 20 0 EFADHO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000354787333 475411038 /nfs/dbraw/zinc/41/10/38/475411038.db2.gz AXHUGYXBVUDUPI-WDSOQIARSA-N 1 3 331.504 2.932 20 0 EFADHO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000354794510 475415138 /nfs/dbraw/zinc/41/51/38/475415138.db2.gz SDSCUKHMOJRBQC-QRQLOZEOSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)N(C)C)C1 ZINC000354794510 475415148 /nfs/dbraw/zinc/41/51/48/475415148.db2.gz SDSCUKHMOJRBQC-QRQLOZEOSA-N 1 3 331.504 2.916 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358126622 475421521 /nfs/dbraw/zinc/42/15/21/475421521.db2.gz BAIIQGWNPZDDCM-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000358126622 475421528 /nfs/dbraw/zinc/42/15/28/475421528.db2.gz BAIIQGWNPZDDCM-FUHWJXTLSA-N 1 3 334.508 2.709 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000358134440 475429680 /nfs/dbraw/zinc/42/96/80/475429680.db2.gz JFJHENSNPTXZBL-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000358134440 475429685 /nfs/dbraw/zinc/42/96/85/475429685.db2.gz JFJHENSNPTXZBL-PKOBYXMFSA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccc(OCCN(C)C)cc1 ZINC000358140720 475435406 /nfs/dbraw/zinc/43/54/06/475435406.db2.gz XRRUAUFMXAELTN-HNNXBMFYSA-N 1 3 335.492 2.582 20 0 EFADHO C[C@H](NCCC(=O)NC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358140720 475435415 /nfs/dbraw/zinc/43/54/15/475435415.db2.gz XRRUAUFMXAELTN-HNNXBMFYSA-N 1 3 335.492 2.582 20 0 EFADHO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358153605 475443741 /nfs/dbraw/zinc/44/37/41/475443741.db2.gz DIXIWQJQDNIMHU-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358153605 475443745 /nfs/dbraw/zinc/44/37/45/475443745.db2.gz DIXIWQJQDNIMHU-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c(N2CCOCC2)c1 ZINC000341963959 475455992 /nfs/dbraw/zinc/45/59/92/475455992.db2.gz JSUSSRHYOZVIGH-JENIJYKNSA-N 1 3 331.504 2.650 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000352608296 475457149 /nfs/dbraw/zinc/45/71/49/475457149.db2.gz IMXYXTYOZSQEIC-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000352608296 475457159 /nfs/dbraw/zinc/45/71/59/475457159.db2.gz IMXYXTYOZSQEIC-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)N1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000339740687 475459766 /nfs/dbraw/zinc/45/97/66/475459766.db2.gz PJRPXJJBNITOTQ-SQNIBIBYSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)N1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000339740686 475459957 /nfs/dbraw/zinc/45/99/57/475459957.db2.gz PJRPXJJBNITOTQ-KZNAEPCWSA-N 1 3 338.540 2.671 20 0 EFADHO CCCCNC(=O)CC[N@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354874571 475480178 /nfs/dbraw/zinc/48/01/78/475480178.db2.gz CTPHMOSKHMXOKC-UHFFFAOYSA-N 1 3 332.492 2.536 20 0 EFADHO CCCCNC(=O)CC[N@@H+](C)CC1CCN(c2ccncc2)CC1 ZINC000354874571 475480184 /nfs/dbraw/zinc/48/01/84/475480184.db2.gz CTPHMOSKHMXOKC-UHFFFAOYSA-N 1 3 332.492 2.536 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N3CCCC[C@@H]23)CC[N@@H+]1Cc1ccccc1 ZINC000338013699 475506702 /nfs/dbraw/zinc/50/67/02/475506702.db2.gz GHMWTLKCIINJFN-LMCOJAPRSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N3CCCC[C@@H]23)CC[N@H+]1Cc1ccccc1 ZINC000338013699 475506708 /nfs/dbraw/zinc/50/67/08/475506708.db2.gz GHMWTLKCIINJFN-LMCOJAPRSA-N 1 3 341.499 2.783 20 0 EFADHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(-c2ccncc2)cc1 ZINC000342043316 475527508 /nfs/dbraw/zinc/52/75/08/475527508.db2.gz GYOABHSRCQILHA-UZLBHIALSA-N 1 3 325.456 2.856 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690243 475534539 /nfs/dbraw/zinc/53/45/39/475534539.db2.gz COLBDWDVDKPHFD-VQIMIIECSA-N 1 3 346.519 2.770 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)C1CC1 ZINC000352690243 475534546 /nfs/dbraw/zinc/53/45/46/475534546.db2.gz COLBDWDVDKPHFD-VQIMIIECSA-N 1 3 346.519 2.770 20 0 EFADHO CC[C@@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263650 475541044 /nfs/dbraw/zinc/54/10/44/475541044.db2.gz XYSMFAKUWDLFGS-WOJBJXKFSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc2cc(OC)ccc2c1 ZINC000358263650 475541051 /nfs/dbraw/zinc/54/10/51/475541051.db2.gz XYSMFAKUWDLFGS-WOJBJXKFSA-N 1 3 328.456 2.956 20 0 EFADHO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339851905 475560171 /nfs/dbraw/zinc/56/01/71/475560171.db2.gz YFEQIIQVMNDIOS-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339851905 475560179 /nfs/dbraw/zinc/56/01/79/475560179.db2.gz YFEQIIQVMNDIOS-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339851902 475560222 /nfs/dbraw/zinc/56/02/22/475560222.db2.gz YFEQIIQVMNDIOS-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000339851902 475560230 /nfs/dbraw/zinc/56/02/30/475560230.db2.gz YFEQIIQVMNDIOS-IEBWSBKVSA-N 1 3 346.519 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000354976092 475572360 /nfs/dbraw/zinc/57/23/60/475572360.db2.gz FGYLQESYOZURKU-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000354976092 475572368 /nfs/dbraw/zinc/57/23/68/475572368.db2.gz FGYLQESYOZURKU-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000354976092 475572375 /nfs/dbraw/zinc/57/23/75/475572375.db2.gz FGYLQESYOZURKU-SSSFQFABSA-N 1 3 344.499 2.681 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346262536 475577090 /nfs/dbraw/zinc/57/70/90/475577090.db2.gz OOSCGBIALXXTAH-CAMMJAKZSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@H]1C[C@@H]1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H](C)C1 ZINC000346262536 475577094 /nfs/dbraw/zinc/57/70/94/475577094.db2.gz OOSCGBIALXXTAH-CAMMJAKZSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000346279139 475579253 /nfs/dbraw/zinc/57/92/53/475579253.db2.gz VBAQTALALOKHTJ-OKYOBFRVSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000354991699 475583469 /nfs/dbraw/zinc/58/34/69/475583469.db2.gz FWOIIBXSSBLTPX-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000354991699 475583476 /nfs/dbraw/zinc/58/34/76/475583476.db2.gz FWOIIBXSSBLTPX-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO COCCOc1ccc(C[N@@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000355044840 475622333 /nfs/dbraw/zinc/62/23/33/475622333.db2.gz UMDZOQIAXYDQGQ-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO COCCOc1ccc(C[N@H+]2CCCC23CCN(C)CC3)cc1OC ZINC000355044840 475622339 /nfs/dbraw/zinc/62/23/39/475622339.db2.gz UMDZOQIAXYDQGQ-UHFFFAOYSA-N 1 3 348.487 2.781 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000342700669 475628488 /nfs/dbraw/zinc/62/84/88/475628488.db2.gz XXMMTMRLJWVAHL-ZULIPRJHSA-N 1 3 343.515 2.886 20 0 EFADHO CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000339948061 475633172 /nfs/dbraw/zinc/63/31/72/475633172.db2.gz VWKBCWXYIWKOOO-IEBWSBKVSA-N 1 3 346.519 2.853 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN(CC)C2CC2)C1 ZINC000348396013 475638476 /nfs/dbraw/zinc/63/84/76/475638476.db2.gz MDZRUBHFNNAHRQ-INIZCTEOSA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCN(CC)C2CC2)C1 ZINC000348396013 475638481 /nfs/dbraw/zinc/63/84/81/475638481.db2.gz MDZRUBHFNNAHRQ-INIZCTEOSA-N 1 3 338.540 2.671 20 0 EFADHO C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC12CCC2 ZINC000355068520 475641052 /nfs/dbraw/zinc/64/10/52/475641052.db2.gz ZHHNIHCDBPANHV-PKOBYXMFSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CCC(=O)N[C@H]3C3CC3)CC2)C1 ZINC000342812539 475642851 /nfs/dbraw/zinc/64/28/51/475642851.db2.gz LIUCYBAWLVJDFC-GBYFWLHCSA-N 1 3 333.520 2.676 20 0 EFADHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)CC2)C1 ZINC000342812539 475642856 /nfs/dbraw/zinc/64/28/56/475642856.db2.gz LIUCYBAWLVJDFC-GBYFWLHCSA-N 1 3 333.520 2.676 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000355085080 475654964 /nfs/dbraw/zinc/65/49/64/475654964.db2.gz VWFZWHXELYDXMN-UHFFFAOYSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000355096701 475664417 /nfs/dbraw/zinc/66/44/17/475664417.db2.gz QXZMBOLYTZRHPW-SFHVURJKSA-N 1 3 338.540 2.768 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C ZINC000361690562 475667098 /nfs/dbraw/zinc/66/70/98/475667098.db2.gz YWOVGKGLQUUATA-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CCCCC2)C[C@H]1C ZINC000361690562 475667107 /nfs/dbraw/zinc/66/71/07/475667107.db2.gz YWOVGKGLQUUATA-SJORKVTESA-N 1 3 338.540 2.765 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358429394 475672232 /nfs/dbraw/zinc/67/22/32/475672232.db2.gz YMHLWVHIQKJKBQ-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000358429394 475672238 /nfs/dbraw/zinc/67/22/38/475672238.db2.gz YMHLWVHIQKJKBQ-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO NC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000361729374 475702684 /nfs/dbraw/zinc/70/26/84/475702684.db2.gz RTODULODLQYNET-SFHVURJKSA-N 1 3 329.488 2.676 20 0 EFADHO NC1(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000361729374 475702691 /nfs/dbraw/zinc/70/26/91/475702691.db2.gz RTODULODLQYNET-SFHVURJKSA-N 1 3 329.488 2.676 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)c1ccccc1 ZINC000353130224 475703766 /nfs/dbraw/zinc/70/37/66/475703766.db2.gz OEOYRUVZKZNLRS-QRVBRYPASA-N 1 3 331.504 2.820 20 0 EFADHO CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000346619972 475705278 /nfs/dbraw/zinc/70/52/78/475705278.db2.gz JVUFFKBJSNVPPU-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CCOc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000346619972 475705284 /nfs/dbraw/zinc/70/52/84/475705284.db2.gz JVUFFKBJSNVPPU-GOSISDBHSA-N 1 3 347.503 2.573 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000358479408 475710472 /nfs/dbraw/zinc/71/04/72/475710472.db2.gz MOGAURGHQRULIZ-LPHOPBHVSA-N 1 3 348.535 2.880 20 0 EFADHO CCc1ccc([C@H](CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000358479408 475710475 /nfs/dbraw/zinc/71/04/75/475710475.db2.gz MOGAURGHQRULIZ-LPHOPBHVSA-N 1 3 348.535 2.880 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N(C)C)cc1 ZINC000358479411 475711406 /nfs/dbraw/zinc/71/14/06/475711406.db2.gz MOGAURGHQRULIZ-VQIMIIECSA-N 1 3 348.535 2.880 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)N(C)C)cc1 ZINC000358479411 475711415 /nfs/dbraw/zinc/71/14/15/475711415.db2.gz MOGAURGHQRULIZ-VQIMIIECSA-N 1 3 348.535 2.880 20 0 EFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361747831 475717919 /nfs/dbraw/zinc/71/79/19/475717919.db2.gz DUYGNZNOCXAKFF-JKSUJKDBSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@H](NCCC(=O)Nc1cccnc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000361747831 475717926 /nfs/dbraw/zinc/71/79/26/475717926.db2.gz DUYGNZNOCXAKFF-JKSUJKDBSA-N 1 3 330.476 2.653 20 0 EFADHO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)[C@@H]1CCCN(C2CCC2)C1 ZINC000361747831 475717933 /nfs/dbraw/zinc/71/79/33/475717933.db2.gz DUYGNZNOCXAKFF-JKSUJKDBSA-N 1 3 330.476 2.653 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361756775 475725222 /nfs/dbraw/zinc/72/52/22/475725222.db2.gz WBDSQNKAAWBAPG-GRDNDAEWSA-N 1 3 339.505 2.582 20 0 EFADHO CCS(=O)(=O)Nc1ccc([C@H](C)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361756775 475725232 /nfs/dbraw/zinc/72/52/32/475725232.db2.gz WBDSQNKAAWBAPG-GRDNDAEWSA-N 1 3 339.505 2.582 20 0 EFADHO Cc1cc(F)ccc1N1CCC[C@H](N2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000358498501 475726822 /nfs/dbraw/zinc/72/68/22/475726822.db2.gz CMTDIQYQKUFPNI-SFHVURJKSA-N 1 3 345.462 2.705 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C ZINC000361761914 475729608 /nfs/dbraw/zinc/72/96/08/475729608.db2.gz AMFFUTXOBTYYQA-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)C(=O)NCCN(C)Cc2ccccc2)C[C@H]1C ZINC000361761914 475729612 /nfs/dbraw/zinc/72/96/12/475729612.db2.gz AMFFUTXOBTYYQA-MJGOQNOKSA-N 1 3 346.519 2.633 20 0 EFADHO O=C(Nc1ccc2c(c1)CNCC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000361762118 475731984 /nfs/dbraw/zinc/73/19/84/475731984.db2.gz HHSDLHFVCFCWDJ-UHFFFAOYSA-N 1 3 335.451 2.592 20 0 EFADHO CCC[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358507757 475734324 /nfs/dbraw/zinc/73/43/24/475734324.db2.gz LFTNZDOQGCCHMS-SFHVURJKSA-N 1 3 329.488 2.720 20 0 EFADHO CC(C)[C@H](NC(=O)CN1CCC2(C1)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000358509891 475735725 /nfs/dbraw/zinc/73/57/25/475735725.db2.gz RCVXCBPPYQFRCA-IBGZPJMESA-N 1 3 347.478 2.715 20 0 EFADHO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH2+]CC2 ZINC000358509458 475735842 /nfs/dbraw/zinc/73/58/42/475735842.db2.gz QBMXLACWTOWUOW-DLBZAZTESA-N 1 3 329.488 2.636 20 0 EFADHO CC(C)c1ccc(CCNC(=O)CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358518703 475740813 /nfs/dbraw/zinc/74/08/13/475740813.db2.gz RDEMUJHHNGRPNY-UHFFFAOYSA-N 1 3 343.515 2.544 20 0 EFADHO CC[C@@H](C[NH2+]C1CCN(c2ccncc2)CC1)NC(=O)OC(C)(C)C ZINC000297404049 475743333 /nfs/dbraw/zinc/74/33/33/475743333.db2.gz KQXIJELPGLTDSG-HNNXBMFYSA-N 1 3 348.491 2.943 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000361778593 475745068 /nfs/dbraw/zinc/74/50/68/475745068.db2.gz HDJFIOQRINOHIV-KURKYZTESA-N 1 3 338.540 2.765 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000361778593 475745076 /nfs/dbraw/zinc/74/50/76/475745076.db2.gz HDJFIOQRINOHIV-KURKYZTESA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000338288847 475751173 /nfs/dbraw/zinc/75/11/73/475751173.db2.gz IMQATZFFHAPAAB-KZNAEPCWSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)N1CCC(C)CC1 ZINC000338288847 475751179 /nfs/dbraw/zinc/75/11/79/475751179.db2.gz IMQATZFFHAPAAB-KZNAEPCWSA-N 1 3 338.540 2.669 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000348552939 475754759 /nfs/dbraw/zinc/75/47/59/475754759.db2.gz WEKDIIYTFJYQAZ-UXHICEINSA-N 1 3 331.504 2.564 20 0 EFADHO CCCN1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000348552939 475754767 /nfs/dbraw/zinc/75/47/67/475754767.db2.gz WEKDIIYTFJYQAZ-UXHICEINSA-N 1 3 331.504 2.564 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH+]2CCCCC2)N(C)C)cc1 ZINC000338293527 475755801 /nfs/dbraw/zinc/75/58/01/475755801.db2.gz INASGAUXLHDIOL-IEBWSBKVSA-N 1 3 346.519 2.771 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000338297120 475759035 /nfs/dbraw/zinc/75/90/35/475759035.db2.gz RIYZKLNZWBCKQV-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000338297120 475759042 /nfs/dbraw/zinc/75/90/42/475759042.db2.gz RIYZKLNZWBCKQV-SJORKVTESA-N 1 3 338.540 2.671 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353201650 475766802 /nfs/dbraw/zinc/76/68/02/475766802.db2.gz HDCHCMOWRFFBNY-FBBABVLZSA-N 1 3 343.515 2.875 20 0 EFADHO CC[C@H](C)[C@@H](N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000353201650 475766810 /nfs/dbraw/zinc/76/68/10/475766810.db2.gz HDCHCMOWRFFBNY-FBBABVLZSA-N 1 3 343.515 2.875 20 0 EFADHO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC000343102840 475770532 /nfs/dbraw/zinc/77/05/32/475770532.db2.gz NJQQHSNIGBZFHH-YOEHRIQHSA-N 1 3 335.879 2.504 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])N1CCc2ccccc2C1 ZINC000340122978 475775591 /nfs/dbraw/zinc/77/55/91/475775591.db2.gz LQCOTYSKFVEHDW-SXLOBPIMSA-N 1 3 343.515 2.561 20 0 EFADHO CC(C)[NH+](CCNC(=O)NC[C@H](C)N(C)Cc1ccccc1)C(C)C ZINC000348637520 475792198 /nfs/dbraw/zinc/79/21/98/475792198.db2.gz SRZDJKFTZUHHQA-SFHVURJKSA-N 1 3 348.535 2.925 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000348637186 475792619 /nfs/dbraw/zinc/79/26/19/475792619.db2.gz RUSSYMZGIPDXCF-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000348637186 475792629 /nfs/dbraw/zinc/79/26/29/475792629.db2.gz RUSSYMZGIPDXCF-HKUYNNGSSA-N 1 3 346.519 2.681 20 0 EFADHO C[C@H](CNC(=O)NC[C@@H](C)N1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000338346264 475808889 /nfs/dbraw/zinc/80/88/89/475808889.db2.gz DZDWWSHMFYDAFM-QZTJIDSGSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@H](CNC(=O)NC[C@H](C)N1CCC(C)CC1)C[NH+]1CCCCC1 ZINC000338346258 475809326 /nfs/dbraw/zinc/80/93/26/475809326.db2.gz DZDWWSHMFYDAFM-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000343154314 475814205 /nfs/dbraw/zinc/81/42/05/475814205.db2.gz QMIZVDSUBRMFAB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000343154314 475814209 /nfs/dbraw/zinc/81/42/09/475814209.db2.gz QMIZVDSUBRMFAB-ROUUACIJSA-N 1 3 338.540 2.815 20 0 EFADHO COc1ccc2oc([C@H](C)[NH2+]CC3(O)CCN(C)CC3)c(C)c2c1 ZINC000361880920 475835734 /nfs/dbraw/zinc/83/57/34/475835734.db2.gz PZVOYRWGMWODQI-AWEZNQCLSA-N 1 3 332.444 2.857 20 0 EFADHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)C1 ZINC000340186486 475836425 /nfs/dbraw/zinc/83/64/25/475836425.db2.gz VFDMCPDZMUMBII-OQSMONGASA-N 1 3 344.565 2.547 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@@]2(C)CCCO2)CC1 ZINC000340186788 475838570 /nfs/dbraw/zinc/83/85/70/475838570.db2.gz SZKHONOXTDWEHR-GHTZIAJQSA-N 1 3 345.531 2.871 20 0 EFADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000333107867 475842201 /nfs/dbraw/zinc/84/22/01/475842201.db2.gz FXRKDOHVHLGLMW-AZUAARDMSA-N 1 3 325.456 2.953 20 0 EFADHO C[C@H](NC1(C[NH2+][C@@H]2CCN(C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000361888511 475843499 /nfs/dbraw/zinc/84/34/99/475843499.db2.gz JXYGFRQOFNPCIV-WSTZPKSXSA-N 1 3 345.531 2.816 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353294639 475844643 /nfs/dbraw/zinc/84/46/43/475844643.db2.gz KMRJZHZEHRYJNP-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353294639 475844649 /nfs/dbraw/zinc/84/46/49/475844649.db2.gz KMRJZHZEHRYJNP-AEFFLSMTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353294644 475844702 /nfs/dbraw/zinc/84/47/02/475844702.db2.gz KMRJZHZEHRYJNP-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000353294644 475844706 /nfs/dbraw/zinc/84/47/06/475844706.db2.gz KMRJZHZEHRYJNP-WMZOPIPTSA-N 1 3 334.508 2.709 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353295050 475845300 /nfs/dbraw/zinc/84/53/00/475845300.db2.gz LFGXCLPFJPZYFW-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO CCCC[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353305972 475854175 /nfs/dbraw/zinc/85/41/75/475854175.db2.gz TYJCFEILXYICSC-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000353305972 475854180 /nfs/dbraw/zinc/85/41/80/475854180.db2.gz TYJCFEILXYICSC-PKOBYXMFSA-N 1 3 346.519 2.681 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000333176672 475858510 /nfs/dbraw/zinc/85/85/10/475858510.db2.gz QZVCRXMKYNCPOA-IEBWSBKVSA-N 1 3 341.455 2.659 20 0 EFADHO CN(C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353312646 475858910 /nfs/dbraw/zinc/85/89/10/475858910.db2.gz JOENWUAUXSQWRT-RBUKOAKNSA-N 1 3 343.515 2.588 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@H]3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000358689238 475861565 /nfs/dbraw/zinc/86/15/65/475861565.db2.gz LLVMVLVFNXWNSS-IAGOWNOFSA-N 1 3 344.503 2.544 20 0 EFADHO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCCNC1 ZINC000333227994 475876207 /nfs/dbraw/zinc/87/62/07/475876207.db2.gz BHUXHSTZWGTKSD-OIHWYFHOSA-N 1 3 327.472 2.797 20 0 EFADHO CC1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000340238755 475880740 /nfs/dbraw/zinc/88/07/40/475880740.db2.gz SUUIPURDLNBXCP-NJDAHSKKSA-N 1 3 345.531 2.504 20 0 EFADHO N[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)c2ccccc21 ZINC000333243631 475881815 /nfs/dbraw/zinc/88/18/15/475881815.db2.gz FIHZBDBNEVOKDP-RTBURBONSA-N 1 3 329.488 2.756 20 0 EFADHO OC1CCN(Cc2ccccc2NC2CC[NH+](C3CC3)CC2)CC1 ZINC000297793015 475888937 /nfs/dbraw/zinc/88/89/37/475888937.db2.gz NHNFJFXMTPPATH-UHFFFAOYSA-N 1 3 329.488 2.682 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346825077 475889048 /nfs/dbraw/zinc/88/90/48/475889048.db2.gz AJCOFHPLQVFJJC-QGTPRVQTSA-N 1 3 326.444 2.645 20 0 EFADHO CC(C)[NH+](CCCNC1CCC(CS(C)(=O)=O)CC1)C(C)C ZINC000340253792 475892200 /nfs/dbraw/zinc/89/22/00/475892200.db2.gz WXPAJCXRHZBEHJ-UHFFFAOYSA-N 1 3 332.554 2.688 20 0 EFADHO CC[N@H+](CCC1CCN(CC(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358734560 475892402 /nfs/dbraw/zinc/89/24/02/475892402.db2.gz FDVDBOOKSMQMFK-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC[N@@H+](CCC1CCN(CC(=O)N(C)C(C)C)CC1)CC(C)C ZINC000358734560 475892408 /nfs/dbraw/zinc/89/24/08/475892408.db2.gz FDVDBOOKSMQMFK-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000355407003 475908229 /nfs/dbraw/zinc/90/82/29/475908229.db2.gz CZKODMXWRGSYOX-WSTZPKSXSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000355407003 475908236 /nfs/dbraw/zinc/90/82/36/475908236.db2.gz CZKODMXWRGSYOX-WSTZPKSXSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000355413209 475915337 /nfs/dbraw/zinc/91/53/37/475915337.db2.gz PWIAKIKXCXLSOC-ZIFCJYIRSA-N 1 3 329.488 2.813 20 0 EFADHO C[N@@H+]1CC[C@H](NCc2ccc(OCCO)cc2)C[C@@H]1c1ccccc1 ZINC000340283914 475916054 /nfs/dbraw/zinc/91/60/54/475916054.db2.gz CQDLXUMSTAAVDB-PZJWPPBQSA-N 1 3 340.467 2.983 20 0 EFADHO C[N@H+]1CC[C@H](NCc2ccc(OCCO)cc2)C[C@@H]1c1ccccc1 ZINC000340283914 475916061 /nfs/dbraw/zinc/91/60/61/475916061.db2.gz CQDLXUMSTAAVDB-PZJWPPBQSA-N 1 3 340.467 2.983 20 0 EFADHO CCn1ccnc1[C@@H](C)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000297921246 475924179 /nfs/dbraw/zinc/92/41/79/475924179.db2.gz XEMGCIJEVOZUSO-MRXNPFEDSA-N 1 3 330.476 2.737 20 0 EFADHO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468507 475934902 /nfs/dbraw/zinc/93/49/02/475934902.db2.gz XFLFDVJCNOKHBX-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)Cc1ccccc1 ZINC000338468507 475934910 /nfs/dbraw/zinc/93/49/10/475934910.db2.gz XFLFDVJCNOKHBX-ZWKOTPCHSA-N 1 3 346.519 2.538 20 0 EFADHO CN1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)[C@H]2CCC[C@@H]21 ZINC000353403041 475941282 /nfs/dbraw/zinc/94/12/82/475941282.db2.gz LHEOFXYZKXHYSI-JHNDHUHGSA-N 1 3 347.890 2.908 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000346895617 475946290 /nfs/dbraw/zinc/94/62/90/475946290.db2.gz YXCURIKTIHFAEH-HLIPFELVSA-N 1 3 344.503 2.860 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2CCC[C@]2(c2nc(CC3CC3)no2)C1 ZINC000346895617 475946298 /nfs/dbraw/zinc/94/62/98/475946298.db2.gz YXCURIKTIHFAEH-HLIPFELVSA-N 1 3 344.503 2.860 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1F ZINC000343320092 475947344 /nfs/dbraw/zinc/94/73/44/475947344.db2.gz PJRQZXLDAGVMPV-DLBZAZTESA-N 1 3 349.494 2.804 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)c1ccccc1F ZINC000343320092 475947349 /nfs/dbraw/zinc/94/73/49/475947349.db2.gz PJRQZXLDAGVMPV-DLBZAZTESA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000353427483 475957667 /nfs/dbraw/zinc/95/76/67/475957667.db2.gz LIOBWVPLBBAOJR-RTBURBONSA-N 1 3 343.515 2.574 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000353427476 475957843 /nfs/dbraw/zinc/95/78/43/475957843.db2.gz LIOBWVPLBBAOJR-MOPGFXCFSA-N 1 3 343.515 2.574 20 0 EFADHO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000353437914 475966696 /nfs/dbraw/zinc/96/66/96/475966696.db2.gz SFPMMSTZNCZHQY-AWEZNQCLSA-N 1 3 339.439 2.930 20 0 EFADHO CCc1ccc([C@@H](O)C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000298058705 475968569 /nfs/dbraw/zinc/96/85/69/475968569.db2.gz JUQPJUZNKFLYQG-FQEVSTJZSA-N 1 3 325.456 2.936 20 0 EFADHO CSCC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000353446310 475974240 /nfs/dbraw/zinc/97/42/40/475974240.db2.gz XYUUQOPEVYSBAU-QGZVFWFLSA-N 1 3 335.517 2.734 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000353445565 475974790 /nfs/dbraw/zinc/97/47/90/475974790.db2.gz IPZDAZUYFSZPOC-AQNXPRMDSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000353445569 475974837 /nfs/dbraw/zinc/97/48/37/475974837.db2.gz IPZDAZUYFSZPOC-ZCNNSNEGSA-N 1 3 343.515 2.791 20 0 EFADHO NC(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000353447750 475976654 /nfs/dbraw/zinc/97/66/54/475976654.db2.gz LMMVTXBUQLZIPI-HNNXBMFYSA-N 1 3 343.393 2.568 20 0 EFADHO CCC(CC)(CNC(=O)C(N)C(F)(F)F)[NH2+][C@H](C)c1ccccc1 ZINC000353451932 475978898 /nfs/dbraw/zinc/97/88/98/475978898.db2.gz PXZYWEIPGGKBHZ-OCCSQVGLSA-N 1 3 345.409 2.902 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1NC1CCN(C)CC1 ZINC000353453586 475981299 /nfs/dbraw/zinc/98/12/99/475981299.db2.gz RYXHPOHFYKXOBX-CVEARBPZSA-N 1 3 330.476 2.519 20 0 EFADHO O[C@H](CNC1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000298093358 475981216 /nfs/dbraw/zinc/98/12/16/475981216.db2.gz MWEMMHFPEQWDRP-MRXNPFEDSA-N 1 3 339.277 2.699 20 0 EFADHO CCN1CCC(N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338536206 475991477 /nfs/dbraw/zinc/99/14/77/475991477.db2.gz LOGNZWSLXGANQK-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358855765 475991348 /nfs/dbraw/zinc/99/13/48/475991348.db2.gz MNVPIKJYXOABEB-MAUKXSAKSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](CN)c2ccc(F)cc2)C1 ZINC000358855765 475991355 /nfs/dbraw/zinc/99/13/55/475991355.db2.gz MNVPIKJYXOABEB-MAUKXSAKSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358856134 475991632 /nfs/dbraw/zinc/99/16/32/475991632.db2.gz MNVPIKJYXOABEB-YJBOKZPZSA-N 1 3 349.494 2.885 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](CN)c2ccc(F)cc2)C1 ZINC000358856134 475991635 /nfs/dbraw/zinc/99/16/35/475991635.db2.gz MNVPIKJYXOABEB-YJBOKZPZSA-N 1 3 349.494 2.885 20 0 EFADHO NC[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1 ZINC000358856909 475991915 /nfs/dbraw/zinc/99/19/15/475991915.db2.gz OJCMGDFPHVPIAN-LJQANCHMSA-N 1 3 347.478 2.639 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467019 475992172 /nfs/dbraw/zinc/99/21/72/475992172.db2.gz KIIVRVSTIDBTLO-DOMZBBRYSA-N 1 3 343.393 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(N)C(F)(F)F ZINC000353467019 475992176 /nfs/dbraw/zinc/99/21/76/475992176.db2.gz KIIVRVSTIDBTLO-DOMZBBRYSA-N 1 3 343.393 2.567 20 0 EFADHO C[NH+](C)CCc1ccc(NC(=O)[C@@H](CN)c2ccc(F)cc2)cc1 ZINC000358858664 475993111 /nfs/dbraw/zinc/99/31/11/475993111.db2.gz OXPUPNHGXOVUKY-SFHVURJKSA-N 1 3 329.419 2.611 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358860337 475994575 /nfs/dbraw/zinc/99/45/75/475994575.db2.gz UIBIYALJZVLOTD-MAUKXSAKSA-N 1 3 335.467 2.639 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](CN)c1ccc(F)cc1 ZINC000358860337 475994582 /nfs/dbraw/zinc/99/45/82/475994582.db2.gz UIBIYALJZVLOTD-MAUKXSAKSA-N 1 3 335.467 2.639 20 0 EFADHO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCN(C)CC1 ZINC000298146446 475998258 /nfs/dbraw/zinc/99/82/58/475998258.db2.gz QCFDRXFMHZYRQR-UHFFFAOYSA-N 1 3 329.488 2.839 20 0 EFADHO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)N2CCCC2)cc1 ZINC000353471562 475998669 /nfs/dbraw/zinc/99/86/69/475998669.db2.gz SBVKXIHXACVBKI-HSALFYBXSA-N 1 3 343.515 2.882 20 0 EFADHO C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)N(C)Cc1ccccc1 ZINC000349787768 476001955 /nfs/dbraw/zinc/00/19/55/476001955.db2.gz VJSDQYZOVBAQAI-QGZVFWFLSA-N 1 3 346.519 2.681 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Br)cc1 ZINC000298194468 476014627 /nfs/dbraw/zinc/01/46/27/476014627.db2.gz CBXAROTWYMDWID-CVEARBPZSA-N 1 3 341.293 2.947 20 0 EFADHO CN1CCC[C@H]1CC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600451 476042482 /nfs/dbraw/zinc/04/24/82/476042482.db2.gz VYSAGKNSSAVZQI-KRWDZBQOSA-N 1 3 325.460 2.716 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338600451 476042487 /nfs/dbraw/zinc/04/24/87/476042487.db2.gz VYSAGKNSSAVZQI-KRWDZBQOSA-N 1 3 325.460 2.716 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353538750 476057638 /nfs/dbraw/zinc/05/76/38/476057638.db2.gz VIJCWEPPFXHHNC-HRBLRVMOSA-N 1 3 336.524 2.518 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353538750 476057643 /nfs/dbraw/zinc/05/76/43/476057643.db2.gz VIJCWEPPFXHHNC-HRBLRVMOSA-N 1 3 336.524 2.518 20 0 EFADHO CC[NH+](CC)CCOc1ccc(C(=O)N(C)CCN2CCCC2)cc1 ZINC000343434337 476061039 /nfs/dbraw/zinc/06/10/39/476061039.db2.gz UALGKCLGZYHVBF-UHFFFAOYSA-N 1 3 347.503 2.575 20 0 EFADHO CCCc1cccc(CNC2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000358951695 476063666 /nfs/dbraw/zinc/06/36/66/476063666.db2.gz LHQKDMYOVIHFNP-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CC[C@@H]1CCCCN1CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353555079 476072142 /nfs/dbraw/zinc/07/21/42/476072142.db2.gz YSXXBCQQIOTSMQ-RCCFBDPRSA-N 1 3 336.524 2.519 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1)N(C)C ZINC000359014673 476114767 /nfs/dbraw/zinc/11/47/67/476114767.db2.gz VJAJITPBJUCLDP-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1)N(C)C ZINC000359014673 476114776 /nfs/dbraw/zinc/11/47/76/476114776.db2.gz VJAJITPBJUCLDP-SFHVURJKSA-N 1 3 325.541 2.933 20 0 EFADHO c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)CC2 ZINC000353606016 476118748 /nfs/dbraw/zinc/11/87/48/476118748.db2.gz CYWQKWHYZMOXPF-RDGPPVDQSA-N 1 3 336.483 2.767 20 0 EFADHO c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@@H]31)C2 ZINC000353606016 476118753 /nfs/dbraw/zinc/11/87/53/476118753.db2.gz CYWQKWHYZMOXPF-RDGPPVDQSA-N 1 3 336.483 2.767 20 0 EFADHO c1ccc(CN2CC[C@H]([NH2+]C3CCN(c4ccncc4)CC3)C2)cc1 ZINC000336651127 476122960 /nfs/dbraw/zinc/12/29/60/476122960.db2.gz DPPCWPGCAXOFMC-FQEVSTJZSA-N 1 3 336.483 2.915 20 0 EFADHO C[C@](O)(C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(F)(F)F ZINC000336674013 476123819 /nfs/dbraw/zinc/12/38/19/476123819.db2.gz BUNFLIYARHGWJS-ULQDDVLXSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@](O)(C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1)C(F)(F)F ZINC000336674013 476123822 /nfs/dbraw/zinc/12/38/22/476123822.db2.gz BUNFLIYARHGWJS-ULQDDVLXSA-N 1 3 342.405 2.754 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336712374 476127679 /nfs/dbraw/zinc/12/76/79/476127679.db2.gz NTLJOQDUWKAJFV-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336712374 476127683 /nfs/dbraw/zinc/12/76/83/476127683.db2.gz NTLJOQDUWKAJFV-QHAWAJNXSA-N 1 3 327.516 2.925 20 0 EFADHO CC(=O)N1CCC([NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)CC1 ZINC000336793581 476132516 /nfs/dbraw/zinc/13/25/16/476132516.db2.gz XJDFFZCDEAOPTN-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO COCC[C@H](COC)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000353632428 476140065 /nfs/dbraw/zinc/14/00/65/476140065.db2.gz TVNIAHPRYNHWIB-ZGXWSNOMSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000353632428 476140071 /nfs/dbraw/zinc/14/00/71/476140071.db2.gz TVNIAHPRYNHWIB-ZGXWSNOMSA-N 1 3 332.488 2.538 20 0 EFADHO COCC[C@H](COC)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000353632428 476140080 /nfs/dbraw/zinc/14/00/80/476140080.db2.gz TVNIAHPRYNHWIB-ZGXWSNOMSA-N 1 3 332.488 2.538 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000362284114 476141325 /nfs/dbraw/zinc/14/13/25/476141325.db2.gz QSAJMOYQUNVNMP-UHFFFAOYSA-N 1 3 341.455 2.710 20 0 EFADHO c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)C2 ZINC000356910764 476145730 /nfs/dbraw/zinc/14/57/30/476145730.db2.gz YXMUSECDORVICE-NMLBUPMWSA-N 1 3 336.483 2.767 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N(C)CCCN(C)Cc2ccco2)CC1 ZINC000344052984 476151416 /nfs/dbraw/zinc/15/14/16/476151416.db2.gz DVBDTBQSZGUQBI-UHFFFAOYSA-N 1 3 335.492 2.680 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000347180587 476152694 /nfs/dbraw/zinc/15/26/94/476152694.db2.gz CADPURXAQNNGMJ-BRWVUGGUSA-N 1 3 345.487 2.549 20 0 EFADHO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000347180589 476154222 /nfs/dbraw/zinc/15/42/22/476154222.db2.gz CADPURXAQNNGMJ-IKGGRYGDSA-N 1 3 345.487 2.549 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2CCN(C3CC3)CC2)C1 ZINC000338749921 476155609 /nfs/dbraw/zinc/15/56/09/476155609.db2.gz NXAQOBJRJUQOTO-GPMSIDNRSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H](C(=O)N(C)CCCN(C)Cc1ccco1)[NH+]1CCCCCC1 ZINC000344088149 476157844 /nfs/dbraw/zinc/15/78/44/476157844.db2.gz NOWLTJWOVZPWOM-KRWDZBQOSA-N 1 3 335.492 2.824 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(Cc2ccccc2)C(C)(C)C)CC1 ZINC000353660612 476165594 /nfs/dbraw/zinc/16/55/94/476165594.db2.gz MYTUPYOMDLOCLU-UHFFFAOYSA-N 1 3 331.504 2.888 20 0 EFADHO C[C@H](CO)N(CCC[N@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204043 476171049 /nfs/dbraw/zinc/17/10/49/476171049.db2.gz GUNSIMWTQWQUAC-CALCHBBNSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](CO)N(CCC[N@@H+]([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204043 476171055 /nfs/dbraw/zinc/17/10/55/476171055.db2.gz GUNSIMWTQWQUAC-CALCHBBNSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](CO)[N@@H+](CCCN([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204043 476171064 /nfs/dbraw/zinc/17/10/64/476171064.db2.gz GUNSIMWTQWQUAC-CALCHBBNSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](CO)[N@H+](CCCN([C@@H](C)CO)C1CCCC1)C1CCCC1 ZINC000347204043 476171073 /nfs/dbraw/zinc/17/10/73/476171073.db2.gz GUNSIMWTQWQUAC-CALCHBBNSA-N 1 3 326.525 2.627 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338769547 476173583 /nfs/dbraw/zinc/17/35/83/476173583.db2.gz IPSAJQBAYCCJSK-VQIMIIECSA-N 1 3 341.499 2.813 20 0 EFADHO Cn1cc(-c2ccc(CN3CCC([C@H]4CC[NH2+]C4)CC3)s2)cn1 ZINC000357040890 476180364 /nfs/dbraw/zinc/18/03/64/476180364.db2.gz CSJSOZDAUGISDN-HNNXBMFYSA-N 1 3 330.501 2.970 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357042787 476181276 /nfs/dbraw/zinc/18/12/76/476181276.db2.gz GAAQLAULWSPYQY-KRWDZBQOSA-N 1 3 340.471 2.907 20 0 EFADHO CN(CCOCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000357071514 476206968 /nfs/dbraw/zinc/20/69/68/476206968.db2.gz CCJIEKSAMQSHRO-CYBMUJFWSA-N 1 3 345.306 2.893 20 0 EFADHO COc1cc2c(c(CN3CCC([C@@H]4CC[NH2+]C4)CC3)c1)O[C@@H](C)C2 ZINC000357055383 476192694 /nfs/dbraw/zinc/19/26/94/476192694.db2.gz RACVPTLPGYVZQD-GOEBONIOSA-N 1 3 330.472 2.840 20 0 EFADHO Cc1nn(-c2ccccn2)c(C)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357058593 476194574 /nfs/dbraw/zinc/19/45/74/476194574.db2.gz VSFORHVCQHFUEV-GOSISDBHSA-N 1 3 339.487 2.706 20 0 EFADHO Clc1ccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c(-n2cncn2)c1 ZINC000357061105 476197888 /nfs/dbraw/zinc/19/78/88/476197888.db2.gz ZOGFRUNFNXIEMJ-HNNXBMFYSA-N 1 3 345.878 2.742 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000344278486 476212656 /nfs/dbraw/zinc/21/26/56/476212656.db2.gz UQNCXLJTCJVFEX-SFNKJDCFSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC000344278486 476212659 /nfs/dbraw/zinc/21/26/59/476212659.db2.gz UQNCXLJTCJVFEX-SFNKJDCFSA-N 1 3 329.488 2.811 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)CN1CCCCC1)CC(C)C ZINC000302953367 476214552 /nfs/dbraw/zinc/21/45/52/476214552.db2.gz OLMMUGLPTFPTFV-ROUUACIJSA-N 1 3 340.556 2.917 20 0 EFADHO CC[N@H+](CCC1CCN([C@H]2CCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357084711 476218071 /nfs/dbraw/zinc/21/80/71/476218071.db2.gz MKQIGIXIJMRYEL-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC[N@H+](CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000338827553 476218026 /nfs/dbraw/zinc/21/80/26/476218026.db2.gz GJFXBDNXFBWPIA-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+](CCNC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(C)C ZINC000338827553 476218034 /nfs/dbraw/zinc/21/80/34/476218034.db2.gz GJFXBDNXFBWPIA-MJGOQNOKSA-N 1 3 346.519 2.851 20 0 EFADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C(C)C)C2=O)CC1)CC1CC1 ZINC000357084711 476218079 /nfs/dbraw/zinc/21/80/79/476218079.db2.gz MKQIGIXIJMRYEL-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC1CCN(CCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000303047031 476218910 /nfs/dbraw/zinc/21/89/10/476218910.db2.gz XJXLBMHWYXSSLZ-MJGOQNOKSA-N 1 3 338.540 2.528 20 0 EFADHO CC[N@H+](CCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1)CC1CC1 ZINC000357084701 476219042 /nfs/dbraw/zinc/21/90/42/476219042.db2.gz MJMRHAXAXWVLHA-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+](CCC1CCN([C@H]2CCN(C3CC3)C2=O)CC1)CC1CC1 ZINC000357084701 476219047 /nfs/dbraw/zinc/21/90/47/476219047.db2.gz MJMRHAXAXWVLHA-IBGZPJMESA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357085448 476220256 /nfs/dbraw/zinc/22/02/56/476220256.db2.gz SZYBTJGPOLXURC-FQEVSTJZSA-N 1 3 343.515 2.894 20 0 EFADHO C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCN1C ZINC000344296112 476226449 /nfs/dbraw/zinc/22/64/49/476226449.db2.gz QKUDVRVJNZPRLB-YJBOKZPZSA-N 1 3 336.524 2.565 20 0 EFADHO CC(C)n1c2ccccc2nc1[C@H]1CCCN(CCOCC[NH3+])C1 ZINC000357108065 476238832 /nfs/dbraw/zinc/23/88/32/476238832.db2.gz SNWKHEUIBJLOKK-INIZCTEOSA-N 1 3 330.476 2.772 20 0 EFADHO Cc1c(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cnn1C ZINC000350557901 476243018 /nfs/dbraw/zinc/24/30/18/476243018.db2.gz OSFZOHFVNUUBJX-UYAOXDASSA-N 1 3 326.488 2.901 20 0 EFADHO CCN1CCN(c2ccccc2C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000353749807 476243551 /nfs/dbraw/zinc/24/35/51/476243551.db2.gz MNHZWNUMGOWZNE-UHFFFAOYSA-N 1 3 331.504 2.565 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000353757299 476251969 /nfs/dbraw/zinc/25/19/69/476251969.db2.gz ZSRGZPDCRPORPL-QRQLOZEOSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)C[C@H](N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353757299 476251976 /nfs/dbraw/zinc/25/19/76/476251976.db2.gz ZSRGZPDCRPORPL-QRQLOZEOSA-N 1 3 331.504 2.777 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000362445855 476255918 /nfs/dbraw/zinc/25/59/18/476255918.db2.gz MHJPICLSAUYHQC-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000353768532 476259182 /nfs/dbraw/zinc/25/91/82/476259182.db2.gz OLYIFXHMXLHKCI-OAQYLSRUSA-N 1 3 343.515 2.747 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@]2(CNC(=O)C2)C1 ZINC000353768532 476259184 /nfs/dbraw/zinc/25/91/84/476259184.db2.gz OLYIFXHMXLHKCI-OAQYLSRUSA-N 1 3 343.515 2.747 20 0 EFADHO CC[NH+]1CCC(N(C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000304002758 476259843 /nfs/dbraw/zinc/25/98/43/476259843.db2.gz RSWHOCMYKNQWOZ-KRWDZBQOSA-N 1 3 340.895 2.634 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H](C(C)C)N2CCCC2)[C@@H](C)C1 ZINC000359860870 476269026 /nfs/dbraw/zinc/26/90/26/476269026.db2.gz YKDKADYTFABQMH-SLFFLAALSA-N 1 3 339.568 2.833 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@H]1C ZINC000362501786 476285944 /nfs/dbraw/zinc/28/59/44/476285944.db2.gz HXZDYXALIBBCPF-WBVHZDCISA-N 1 3 333.476 2.828 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cccc(OC)c2)C[C@H]1C ZINC000362501786 476285949 /nfs/dbraw/zinc/28/59/49/476285949.db2.gz HXZDYXALIBBCPF-WBVHZDCISA-N 1 3 333.476 2.828 20 0 EFADHO CC[NH+](CC)CCSCC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000360096246 476291310 /nfs/dbraw/zinc/29/13/10/476291310.db2.gz DGVGWDUAPOZSFS-YESZJQIVSA-N 1 3 343.581 2.544 20 0 EFADHO CCC[NH+](CCC)CCCC(=O)NC[C@H]1NCCc2ccccc21 ZINC000357238553 476301040 /nfs/dbraw/zinc/30/10/40/476301040.db2.gz IBXYWYTWUZARNV-LJQANCHMSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1)N(C)C ZINC000357278795 476313138 /nfs/dbraw/zinc/31/31/38/476313138.db2.gz WZXQEGCWTCNBFK-LNLFQRSKSA-N 1 3 346.519 2.579 20 0 EFADHO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1)N(C)C ZINC000357278798 476313368 /nfs/dbraw/zinc/31/33/68/476313368.db2.gz WZXQEGCWTCNBFK-SCTDSRPQSA-N 1 3 346.519 2.579 20 0 EFADHO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCN1CCCN(C)CC1 ZINC000360602572 476315128 /nfs/dbraw/zinc/31/51/28/476315128.db2.gz XAWVHTKJKGJAIC-KRWDZBQOSA-N 1 3 343.519 2.501 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362594682 476321811 /nfs/dbraw/zinc/32/18/11/476321811.db2.gz VXQUAYBYEHWURT-LPHOPBHVSA-N 1 3 329.488 2.670 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000357300581 476321896 /nfs/dbraw/zinc/32/18/96/476321896.db2.gz AHTLETXMFPRRHR-LJQANCHMSA-N 1 3 347.503 2.535 20 0 EFADHO C[C@H](NC(=O)N1CCC(C[NH+](C)C)CC1)[C@H](c1ccccc1)N(C)C ZINC000357300958 476321930 /nfs/dbraw/zinc/32/19/30/476321930.db2.gz HFZMXZUFCBTGHP-QFBILLFUSA-N 1 3 346.519 2.661 20 0 EFADHO C[C@H]1CCC[C@@](CNC(=O)c2ccccc2CN(C)C)([NH+](C)C)C1 ZINC000362595930 476322198 /nfs/dbraw/zinc/32/21/98/476322198.db2.gz IHHVMGKQTSVQOE-OXJNMPFZSA-N 1 3 331.504 2.989 20 0 EFADHO COc1ccc([C@@H](CN(C)C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000357306714 476324432 /nfs/dbraw/zinc/32/44/32/476324432.db2.gz NJMLOWNMFGIJJE-QFBILLFUSA-N 1 3 347.503 2.679 20 0 EFADHO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000353945105 476332170 /nfs/dbraw/zinc/33/21/70/476332170.db2.gz NCTHGJAIBUSQLQ-LEWJYISDSA-N 1 3 345.531 2.729 20 0 EFADHO C[C@H](CC(=O)N(CCN(C)C)Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000357354533 476343404 /nfs/dbraw/zinc/34/34/04/476343404.db2.gz OFVMXKWRQZZTMO-MRXNPFEDSA-N 1 3 349.494 2.742 20 0 EFADHO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000357357875 476344991 /nfs/dbraw/zinc/34/49/91/476344991.db2.gz XGUXJYAZVXJLDR-NUJGCVRESA-N 1 3 331.504 2.932 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1)C1CC1 ZINC000357380185 476350730 /nfs/dbraw/zinc/35/07/30/476350730.db2.gz ACJKUKOYOSRTQK-CRAIPNDOSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)cc1)C1CC1 ZINC000357380185 476350731 /nfs/dbraw/zinc/35/07/31/476350731.db2.gz ACJKUKOYOSRTQK-CRAIPNDOSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1)C1CC1 ZINC000357380189 476351042 /nfs/dbraw/zinc/35/10/42/476351042.db2.gz ACJKUKOYOSRTQK-YJBOKZPZSA-N 1 3 329.488 2.883 20 0 EFADHO CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)cc1)C1CC1 ZINC000357380189 476351045 /nfs/dbraw/zinc/35/10/45/476351045.db2.gz ACJKUKOYOSRTQK-YJBOKZPZSA-N 1 3 329.488 2.883 20 0 EFADHO C[NH+]1CCC2(CCCN(CC(=O)N(C3CC3)C3CCCC3)C2)CC1 ZINC000368535543 476355706 /nfs/dbraw/zinc/35/57/06/476355706.db2.gz XQAMOAWOBQZUNO-UHFFFAOYSA-N 1 3 333.520 2.728 20 0 EFADHO c1ccc(CN2CC[C@@H]3C[N@@H+](CCN4CCCCC4)C[C@@H]3C2)cc1 ZINC000377337451 476356867 /nfs/dbraw/zinc/35/68/67/476356867.db2.gz MZYRTZQHTWYDAQ-RTWAWAEBSA-N 1 3 327.516 2.926 20 0 EFADHO c1ccc(CN2CC[C@@H]3C[N@H+](CCN4CCCCC4)C[C@@H]3C2)cc1 ZINC000377337451 476356876 /nfs/dbraw/zinc/35/68/76/476356876.db2.gz MZYRTZQHTWYDAQ-RTWAWAEBSA-N 1 3 327.516 2.926 20 0 EFADHO CC[NH+](CC)CC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000360760446 476370515 /nfs/dbraw/zinc/37/05/15/476370515.db2.gz BUSURSFXERHHHD-KRWDZBQOSA-N 1 3 338.467 2.619 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375653 476373653 /nfs/dbraw/zinc/37/36/53/476373653.db2.gz JAMJZMICODHSNT-RTBURBONSA-N 1 3 327.472 2.639 20 0 EFADHO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(CN2CCCC2)c1 ZINC000377375653 476373662 /nfs/dbraw/zinc/37/36/62/476373662.db2.gz JAMJZMICODHSNT-RTBURBONSA-N 1 3 327.472 2.639 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1C ZINC000357423919 476374316 /nfs/dbraw/zinc/37/43/16/476374316.db2.gz WCNJNCGFXIZERI-APWZRJJASA-N 1 3 329.488 2.885 20 0 EFADHO Cc1n[nH]c(C)c1C[NH+]1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000354033146 476379488 /nfs/dbraw/zinc/37/94/88/476379488.db2.gz IRXRXXQRBRXSBM-GJZGRUSLSA-N 1 3 334.508 2.738 20 0 EFADHO C[C@H]1CN(Cc2coc3ccccc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354038310 476384625 /nfs/dbraw/zinc/38/46/25/476384625.db2.gz JZPWSBADENNLAK-LPHOPBHVSA-N 1 3 327.472 2.891 20 0 EFADHO CN1CCCC[C@H]1CC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000360787497 476386818 /nfs/dbraw/zinc/38/68/18/476386818.db2.gz PDQKCPLJVNTRFP-KRWDZBQOSA-N 1 3 331.508 2.668 20 0 EFADHO CCn1nc(C)c(CN2CCC(OCC[NH+](CC)CC)CC2)c1C ZINC000354045185 476390380 /nfs/dbraw/zinc/39/03/80/476390380.db2.gz RGEBPTSIKVIDQN-UHFFFAOYSA-N 1 3 336.524 2.843 20 0 EFADHO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCCCCS(C)(=O)=O)CC1 ZINC000373460858 476404115 /nfs/dbraw/zinc/40/41/15/476404115.db2.gz KXWOXEXSVXDMAE-FUHWJXTLSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000373460858 476404124 /nfs/dbraw/zinc/40/41/24/476404124.db2.gz KXWOXEXSVXDMAE-FUHWJXTLSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCCCCS(C)(=O)=O)CC1 ZINC000373460860 476404651 /nfs/dbraw/zinc/40/46/51/476404651.db2.gz KXWOXEXSVXDMAE-WMZOPIPTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000373460860 476404656 /nfs/dbraw/zinc/40/46/56/476404656.db2.gz KXWOXEXSVXDMAE-WMZOPIPTSA-N 1 3 344.565 2.834 20 0 EFADHO C[C@@H](Cc1ccccc1C(F)(F)F)NC[C@@H](O)C[NH+]1CCCC1 ZINC000360835888 476416936 /nfs/dbraw/zinc/41/69/36/476416936.db2.gz LNDRFRLFWTVCLE-DZGCQCFKSA-N 1 3 330.394 2.683 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000354099664 476425576 /nfs/dbraw/zinc/42/55/76/476425576.db2.gz GSHYTCOEKRYXRR-LJQANCHMSA-N 1 3 330.472 2.895 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000362821122 476427003 /nfs/dbraw/zinc/42/70/03/476427003.db2.gz VHKIPMBUIVHIPW-GOSISDBHSA-N 1 3 329.488 2.839 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000354107515 476431859 /nfs/dbraw/zinc/43/18/59/476431859.db2.gz QOECVSWFWXQVHE-FQEVSTJZSA-N 1 3 342.487 2.805 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000374443815 476481854 /nfs/dbraw/zinc/48/18/54/476481854.db2.gz NQICDLYCTATWHD-ZHALLVOQSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000374443815 476481866 /nfs/dbraw/zinc/48/18/66/476481866.db2.gz NQICDLYCTATWHD-ZHALLVOQSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939263 476492182 /nfs/dbraw/zinc/49/21/82/476492182.db2.gz YHEOLKYXRPNFRI-LPHOPBHVSA-N 1 3 345.487 2.688 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000362939263 476492184 /nfs/dbraw/zinc/49/21/84/476492184.db2.gz YHEOLKYXRPNFRI-LPHOPBHVSA-N 1 3 345.487 2.688 20 0 EFADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000369734970 476501090 /nfs/dbraw/zinc/50/10/90/476501090.db2.gz BCLBGRWSAHUWGC-ROUUACIJSA-N 1 3 328.456 2.536 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000369734970 476501092 /nfs/dbraw/zinc/50/10/92/476501092.db2.gz BCLBGRWSAHUWGC-ROUUACIJSA-N 1 3 328.456 2.536 20 0 EFADHO CN(C)CCOC1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000360955430 476501899 /nfs/dbraw/zinc/50/18/99/476501899.db2.gz BUWHTRAFTVYWRV-UHFFFAOYSA-N 1 3 332.488 2.597 20 0 EFADHO CCC[N@H+](CC)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000351873737 476504119 /nfs/dbraw/zinc/50/41/19/476504119.db2.gz ASPOCOFOQUANSJ-SFHVURJKSA-N 1 3 334.508 2.629 20 0 EFADHO CCC[N@@H+](CC)CCNC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000351873737 476504125 /nfs/dbraw/zinc/50/41/25/476504125.db2.gz ASPOCOFOQUANSJ-SFHVURJKSA-N 1 3 334.508 2.629 20 0 EFADHO CCN1CCN(CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000377660340 476505805 /nfs/dbraw/zinc/50/58/05/476505805.db2.gz VWVJSVLRMQRUGO-UHFFFAOYSA-N 1 3 337.458 2.828 20 0 EFADHO C[C@@H](CCNC(=O)N1CCN(C)CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000351896606 476506516 /nfs/dbraw/zinc/50/65/16/476506516.db2.gz NYHSQBBMLAAVTK-ZWKOTPCHSA-N 1 3 346.519 2.633 20 0 EFADHO C[C@@H](CCNC(=O)N1CCN(C)CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000351896606 476506523 /nfs/dbraw/zinc/50/65/23/476506523.db2.gz NYHSQBBMLAAVTK-ZWKOTPCHSA-N 1 3 346.519 2.633 20 0 EFADHO CC[N@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCOC(C)(C)C1 ZINC000351934728 476508285 /nfs/dbraw/zinc/50/82/85/476508285.db2.gz HVGHMRLWKCEXLO-SFHVURJKSA-N 1 3 325.541 2.682 20 0 EFADHO CC[N@@H+](CCCN1CCN(C(C)C)CC1)[C@H]1CCOC(C)(C)C1 ZINC000351934728 476508292 /nfs/dbraw/zinc/50/82/92/476508292.db2.gz HVGHMRLWKCEXLO-SFHVURJKSA-N 1 3 325.541 2.682 20 0 EFADHO O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000377675988 476513860 /nfs/dbraw/zinc/51/38/60/476513860.db2.gz SHJLPTWOJFVPBR-IBGZPJMESA-N 1 3 333.520 2.774 20 0 EFADHO CN1CCC(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000364194626 476515885 /nfs/dbraw/zinc/51/58/85/476515885.db2.gz IILWIAQMDAKRQL-WOJBJXKFSA-N 1 3 343.515 2.527 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccco1 ZINC000354231136 476525769 /nfs/dbraw/zinc/52/57/69/476525769.db2.gz QYMLFRCUNMJTKH-KLZNWCGWSA-N 1 3 348.491 2.633 20 0 EFADHO CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccco1 ZINC000354231136 476525773 /nfs/dbraw/zinc/52/57/73/476525773.db2.gz QYMLFRCUNMJTKH-KLZNWCGWSA-N 1 3 348.491 2.633 20 0 EFADHO C[C@@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)C(C)(C)C[NH+](C)C ZINC000354233384 476526616 /nfs/dbraw/zinc/52/66/16/476526616.db2.gz HQEMOOOZVLMTNF-LZLYRXPVSA-N 1 3 348.535 2.953 20 0 EFADHO CN(Cc1cccc(C[N@H+](C)[C@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000352188502 476535316 /nfs/dbraw/zinc/53/53/16/476535316.db2.gz ZMEPLBIJVVQTGF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1cccc(C[N@@H+](C)[C@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000352188502 476535321 /nfs/dbraw/zinc/53/53/21/476535321.db2.gz ZMEPLBIJVVQTGF-PMACEKPBSA-N 1 3 332.488 2.908 20 0 EFADHO O[C@@H](CNCCCc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000361012288 476543179 /nfs/dbraw/zinc/54/31/79/476543179.db2.gz INOUZZRNVURYIX-ZDUSSCGKSA-N 1 3 331.287 2.972 20 0 EFADHO CCn1cc(CCN2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000377765975 476570005 /nfs/dbraw/zinc/57/00/05/476570005.db2.gz VTZBPMXTZYLMGW-RTWAWAEBSA-N 1 3 338.499 2.899 20 0 EFADHO CCn1cc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000377765975 476570007 /nfs/dbraw/zinc/57/00/07/476570007.db2.gz VTZBPMXTZYLMGW-RTWAWAEBSA-N 1 3 338.499 2.899 20 0 EFADHO CC(=O)N1CC[C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879044 476571348 /nfs/dbraw/zinc/57/13/48/476571348.db2.gz IWVUTWVZLXVCRT-OXJNMPFZSA-N 1 3 327.472 2.554 20 0 EFADHO CC(=O)N1CC[C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc2C1 ZINC000374879044 476571351 /nfs/dbraw/zinc/57/13/51/476571351.db2.gz IWVUTWVZLXVCRT-OXJNMPFZSA-N 1 3 327.472 2.554 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000357747546 476575664 /nfs/dbraw/zinc/57/56/64/476575664.db2.gz MGMWFPVNUZUDRU-DLBZAZTESA-N 1 3 334.508 2.535 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000357747546 476575670 /nfs/dbraw/zinc/57/56/70/476575670.db2.gz MGMWFPVNUZUDRU-DLBZAZTESA-N 1 3 334.508 2.535 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@H]2CCCCN2CC)[NH+](C)C)cc1 ZINC000354311907 476576812 /nfs/dbraw/zinc/57/68/12/476576812.db2.gz OYLPDFXMATXVPG-MOPGFXCFSA-N 1 3 331.504 2.842 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)[C@H]2CCCCN2CC)[NH+](C)C)cc1 ZINC000354311912 476577821 /nfs/dbraw/zinc/57/78/21/476577821.db2.gz OYLPDFXMATXVPG-RTBURBONSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H](C)N2CCCCCC2)o1 ZINC000357784911 476602045 /nfs/dbraw/zinc/60/20/45/476602045.db2.gz AMWPINUWRLFVCS-KRWDZBQOSA-N 1 3 335.492 2.743 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000357798647 476613486 /nfs/dbraw/zinc/61/34/86/476613486.db2.gz MFMKUTULRRGRPO-DLBZAZTESA-N 1 3 341.455 2.851 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000357798647 476613490 /nfs/dbraw/zinc/61/34/90/476613490.db2.gz MFMKUTULRRGRPO-DLBZAZTESA-N 1 3 341.455 2.851 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361123619 476617858 /nfs/dbraw/zinc/61/78/58/476617858.db2.gz BGQPCDUTZGHBTD-FUHIMQAGSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361123619 476617861 /nfs/dbraw/zinc/61/78/61/476617861.db2.gz BGQPCDUTZGHBTD-FUHIMQAGSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000361123626 476618185 /nfs/dbraw/zinc/61/81/85/476618185.db2.gz BGQPCDUTZGHBTD-QKLQHJQFSA-N 1 3 343.515 2.886 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000361123626 476618190 /nfs/dbraw/zinc/61/81/90/476618190.db2.gz BGQPCDUTZGHBTD-QKLQHJQFSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000357807826 476619187 /nfs/dbraw/zinc/61/91/87/476619187.db2.gz BAGNHLSDHIWXCR-LMMKCTJWSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000357807826 476619194 /nfs/dbraw/zinc/61/91/94/476619194.db2.gz BAGNHLSDHIWXCR-LMMKCTJWSA-N 1 3 346.519 2.850 20 0 EFADHO COCCN(C)CC[C@H]([NH2+][C@@H]1CCN(C)C[C@@H]1C)c1ccccc1 ZINC000361127232 476619455 /nfs/dbraw/zinc/61/94/55/476619455.db2.gz OUXIIPSIGYOLPI-SXLOBPIMSA-N 1 3 333.520 2.626 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000370003515 476627202 /nfs/dbraw/zinc/62/72/02/476627202.db2.gz BNKIXHDYEJBLMT-KURKYZTESA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000352316559 476632392 /nfs/dbraw/zinc/63/23/92/476632392.db2.gz VSYWIXABLVWIFR-QGZVFWFLSA-N 1 3 346.519 2.812 20 0 EFADHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354413082 476646022 /nfs/dbraw/zinc/64/60/22/476646022.db2.gz MTMXHIQTZGABPW-YNEHKIRRSA-N 1 3 328.909 2.940 20 0 EFADHO CN1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccs1 ZINC000377941998 476650433 /nfs/dbraw/zinc/65/04/33/476650433.db2.gz LQIPEKOKNCAXGU-WBVHZDCISA-N 1 3 347.528 2.876 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C)N1C ZINC000354459452 476674505 /nfs/dbraw/zinc/67/45/05/476674505.db2.gz ZITNLVICTOZRGC-QZTJIDSGSA-N 1 3 344.547 2.741 20 0 EFADHO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000378353418 476698116 /nfs/dbraw/zinc/69/81/16/476698116.db2.gz FOTTXLHHUSUCFU-WOJBJXKFSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443068494 476707565 /nfs/dbraw/zinc/70/75/65/476707565.db2.gz IKLXMMASDJWNGC-GDBMZVCRSA-N 1 3 335.517 2.645 20 0 EFADHO Cc1ccc(CN(C(=O)CN2CCC[C@@H](CC[NH3+])C2)C2CC2)cc1 ZINC000443060343 476707606 /nfs/dbraw/zinc/70/76/06/476707606.db2.gz OVFPEOGIXGOBNC-KRWDZBQOSA-N 1 3 329.488 2.547 20 0 EFADHO CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443068792 476708372 /nfs/dbraw/zinc/70/83/72/476708372.db2.gz IKLXMMASDJWNGC-HOCLYGCPSA-N 1 3 335.517 2.645 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@@H]1[C@H](C)O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320090 476712450 /nfs/dbraw/zinc/71/24/50/476712450.db2.gz NKTOEUIBTMXTDU-QTCMIBMWSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@H](CN1CC[C@@H](C)C[C@@H]1[C@H](C)O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443320090 476712455 /nfs/dbraw/zinc/71/24/55/476712455.db2.gz NKTOEUIBTMXTDU-QTCMIBMWSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](CN1CC[C@H](C)C[C@@H]1[C@H](C)O)C[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000443320090 476712462 /nfs/dbraw/zinc/71/24/62/476712462.db2.gz NKTOEUIBTMXTDU-QTCMIBMWSA-N 1 3 340.552 2.585 20 0 EFADHO C[C@@H](CN1CC[C@H](C)C[C@@H]1[C@H](C)O)C[N@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000443320090 476712468 /nfs/dbraw/zinc/71/24/68/476712468.db2.gz NKTOEUIBTMXTDU-QTCMIBMWSA-N 1 3 340.552 2.585 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NC(C)(C)CC[NH3+])N2CCCC2)cc1 ZINC000422598950 476715663 /nfs/dbraw/zinc/71/56/63/476715663.db2.gz OOLFSCAMTVRGSE-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CCN(Cc2ccncc2)CC1 ZINC000422693745 476734119 /nfs/dbraw/zinc/73/41/19/476734119.db2.gz MLKAVNABMBQKOL-PXNSSMCTSA-N 1 3 330.520 2.946 20 0 EFADHO CCOc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000375245712 476736847 /nfs/dbraw/zinc/73/68/47/476736847.db2.gz OVOJFBSKMNINIA-UHFFFAOYSA-N 1 3 345.531 2.935 20 0 EFADHO CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000365861796 476737487 /nfs/dbraw/zinc/73/74/87/476737487.db2.gz NXJPDVBYVXVKEC-FQEVSTJZSA-N 1 3 343.515 2.841 20 0 EFADHO COCCN(C)CC[C@H](N[C@H](C)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422709169 476737780 /nfs/dbraw/zinc/73/77/80/476737780.db2.gz CZDLGEOTTXKTRJ-RLLQIKCJSA-N 1 3 333.520 2.816 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cccc(NC(=O)c2ccccn2)c1 ZINC000422711019 476738481 /nfs/dbraw/zinc/73/84/81/476738481.db2.gz MPGCDXXOCZLELL-WMZOPIPTSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000422711098 476739048 /nfs/dbraw/zinc/73/90/48/476739048.db2.gz MGGJVEXFEDRVIC-OUCADQQQSA-N 1 3 326.282 2.743 20 0 EFADHO COc1cccc(N2CC[C@H](N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])C2)c1 ZINC000422713435 476739107 /nfs/dbraw/zinc/73/91/07/476739107.db2.gz PRZLKCJLQZGOOW-MMOPVJDHSA-N 1 3 339.483 2.822 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCCC1 ZINC000422713979 476741149 /nfs/dbraw/zinc/74/11/49/476741149.db2.gz QKXPVQJEODEJGV-SJORKVTESA-N 1 3 325.566 2.988 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000381957838 476741289 /nfs/dbraw/zinc/74/12/89/476741289.db2.gz FYBDOESZRWPPMA-HOTGVXAUSA-N 1 3 325.497 2.707 20 0 EFADHO COCCN(C)CC[C@H](N[C@H]1CC[NH2+]CC[C@H]1C)c1ccccc1 ZINC000422720771 476742762 /nfs/dbraw/zinc/74/27/62/476742762.db2.gz TWMQQEICUQZHQT-HOJAQTOUSA-N 1 3 333.520 2.674 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCN(c2ccccc2Br)C1 ZINC000422720055 476743430 /nfs/dbraw/zinc/74/34/30/476743430.db2.gz ZLMQCDZBYLXCID-XQQFMLRXSA-N 1 3 326.282 2.743 20 0 EFADHO CCOC(=O)C1([C@H](C)N[C@@H](C)c2c(F)cccc2F)CC[NH2+]CC1 ZINC000422719857 476743443 /nfs/dbraw/zinc/74/34/43/476743443.db2.gz YPJHBKIKKLYFII-STQMWFEESA-N 1 3 340.414 2.937 20 0 EFADHO [NH3+]CC1CCC(NCc2cn3cc(Br)ccc3n2)CC1 ZINC000422728688 476747302 /nfs/dbraw/zinc/74/73/02/476747302.db2.gz GOMQXPRCTRTKBH-UHFFFAOYSA-N 1 3 337.265 2.704 20 0 EFADHO CC(C)(C)OC(=O)N1CC=C(CNC2CC[NH+](C3CC3)CC2)CC1 ZINC000383809868 476753892 /nfs/dbraw/zinc/75/38/92/476753892.db2.gz VFNUCDILXMIPAN-UHFFFAOYSA-N 1 3 335.492 2.770 20 0 EFADHO FC(F)(F)c1ccccc1CCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422738196 476754898 /nfs/dbraw/zinc/75/48/98/476754898.db2.gz IQCCLNOTWXKMPW-HYVNUMGLSA-N 1 3 342.405 2.995 20 0 EFADHO COc1ccccc1[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)N1CCCC1 ZINC000422746099 476756374 /nfs/dbraw/zinc/75/63/74/476756374.db2.gz NJNIDLINQVPNBT-NEWSRXKRSA-N 1 3 331.504 2.810 20 0 EFADHO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(CN)nc1C)N(C)C ZINC000422748121 476758344 /nfs/dbraw/zinc/75/83/44/476758344.db2.gz SAPGQPRSXIKAEV-LIRRHRJNSA-N 1 3 342.487 2.811 20 0 EFADHO Fc1ccccc1CSCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422761993 476764246 /nfs/dbraw/zinc/76/42/46/476764246.db2.gz HYKGFWNPONIMBK-BPQIPLTHSA-N 1 3 338.492 2.806 20 0 EFADHO COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])N2CCCCC2)cc1 ZINC000422770740 476769623 /nfs/dbraw/zinc/76/96/23/476769623.db2.gz WOZPSGOZPHSRDE-RLLQIKCJSA-N 1 3 331.504 2.939 20 0 EFADHO c1cn(CCCN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc12 ZINC000422773285 476769811 /nfs/dbraw/zinc/76/98/11/476769811.db2.gz ZRBWSXQPVSCZSL-IPMKNSEASA-N 1 3 327.472 2.778 20 0 EFADHO CN(C)C1(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000422783678 476772648 /nfs/dbraw/zinc/77/26/48/476772648.db2.gz NFBAZIXGYHJTIL-PWRODBHTSA-N 1 3 341.543 2.986 20 0 EFADHO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCCc1cccc(C(=O)N(C)C)c1 ZINC000422785347 476773839 /nfs/dbraw/zinc/77/38/39/476773839.db2.gz QWVRZLHANSKCHL-QFBILLFUSA-N 1 3 331.504 2.831 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784232 476774770 /nfs/dbraw/zinc/77/47/70/476774770.db2.gz NTZUFNATQYIIMB-JKQORVJESA-N 1 3 337.895 2.651 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1 ZINC000422784232 476774777 /nfs/dbraw/zinc/77/47/77/476774777.db2.gz NTZUFNATQYIIMB-JKQORVJESA-N 1 3 337.895 2.651 20 0 EFADHO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388612719 476777468 /nfs/dbraw/zinc/77/74/68/476777468.db2.gz MNANSDTYFFSZHT-AZUAARDMSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])Oc1cccc(Br)c1 ZINC000422794893 476777769 /nfs/dbraw/zinc/77/77/69/476777769.db2.gz HFEIBWHEJPXZCF-JMSVASOKSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CN)Oc1cccc(Br)c1 ZINC000422794893 476777778 /nfs/dbraw/zinc/77/77/78/476777778.db2.gz HFEIBWHEJPXZCF-JMSVASOKSA-N 1 3 327.266 2.933 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422793321 476777863 /nfs/dbraw/zinc/77/78/63/476777863.db2.gz XYPDOIDEOYJWPT-UWJYYQICSA-N 1 3 337.511 2.634 20 0 EFADHO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1(N(C)C)Cc2ccccc2C1 ZINC000422793318 476778247 /nfs/dbraw/zinc/77/82/47/476778247.db2.gz XYPDOIDEOYJWPT-DYESRHJHSA-N 1 3 337.511 2.634 20 0 EFADHO CN(CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422801814 476782779 /nfs/dbraw/zinc/78/27/79/476782779.db2.gz AQPWCSGPLINEBD-CTNGQTDRSA-N 1 3 337.467 2.968 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389749298 476784416 /nfs/dbraw/zinc/78/44/16/476784416.db2.gz JANICNVIRGWBNS-ZCRFILTFSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389749298 476784417 /nfs/dbraw/zinc/78/44/17/476784417.db2.gz JANICNVIRGWBNS-ZCRFILTFSA-N 1 3 337.508 2.847 20 0 EFADHO Cc1cccc(N2CCN(CCC[NH2+][C@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422806162 476785166 /nfs/dbraw/zinc/78/51/66/476785166.db2.gz KIYBSXUCDXMOIT-RTWAWAEBSA-N 1 3 344.547 2.757 20 0 EFADHO Cc1cccc(N2CCN(CCCN[C@H]3CCCCC[C@H]3[NH3+])CC2)c1 ZINC000422806162 476785176 /nfs/dbraw/zinc/78/51/76/476785176.db2.gz KIYBSXUCDXMOIT-RTWAWAEBSA-N 1 3 344.547 2.757 20 0 EFADHO c1ccc2c(c1)CCN(CCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422804740 476785875 /nfs/dbraw/zinc/78/58/75/476785875.db2.gz LCKAJZDVYVRBOY-NJDAHSKKSA-N 1 3 327.516 2.945 20 0 EFADHO CC(C)C[C@H](CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)N1CCOCC1 ZINC000422806244 476785934 /nfs/dbraw/zinc/78/59/34/476785934.db2.gz NEGDGNXQYQYWCW-HBMCJLEFSA-N 1 3 345.531 2.816 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000389892635 476786858 /nfs/dbraw/zinc/78/68/58/476786858.db2.gz AQFJIHKRALJRET-PKOBYXMFSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCCC[C@H]3C[NH3+])cc2)C[C@@H](C)O1 ZINC000422807650 476786903 /nfs/dbraw/zinc/78/69/03/476786903.db2.gz KAGUCVPYZXYMJN-SGLNWRHMSA-N 1 3 345.531 2.903 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000389898728 476787131 /nfs/dbraw/zinc/78/71/31/476787131.db2.gz BOXXDYHDZJVTOH-LGKHCZOZSA-N 1 3 341.499 2.544 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000389892633 476787169 /nfs/dbraw/zinc/78/71/69/476787169.db2.gz AQFJIHKRALJRET-MJGOQNOKSA-N 1 3 343.515 2.922 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000389866635 476787562 /nfs/dbraw/zinc/78/75/62/476787562.db2.gz GZCZYATXXKSSPB-BVBHFADKSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCc1cnn(-c2ccccc2)c1 ZINC000422814738 476790914 /nfs/dbraw/zinc/79/09/14/476790914.db2.gz ADCGJNMFMJTEAN-LAUBAEHRSA-N 1 3 334.467 2.963 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422818876 476791713 /nfs/dbraw/zinc/79/17/13/476791713.db2.gz HHDHGYSBLYTOSY-TZMCWYRMSA-N 1 3 339.867 2.784 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422818876 476791718 /nfs/dbraw/zinc/79/17/18/476791718.db2.gz HHDHGYSBLYTOSY-TZMCWYRMSA-N 1 3 339.867 2.784 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CCN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422819861 476792831 /nfs/dbraw/zinc/79/28/31/476792831.db2.gz JCSZHQVZGDSNFC-TZMCWYRMSA-N 1 3 339.867 2.703 20 0 EFADHO COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000422819861 476792838 /nfs/dbraw/zinc/79/28/38/476792838.db2.gz JCSZHQVZGDSNFC-TZMCWYRMSA-N 1 3 339.867 2.703 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000390739337 476797662 /nfs/dbraw/zinc/79/76/62/476797662.db2.gz LAPSFIJUSWQYLL-MSOLQXFVSA-N 1 3 331.504 2.791 20 0 EFADHO CC[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])Oc1ccccc1Cl ZINC000422829324 476799662 /nfs/dbraw/zinc/79/96/62/476799662.db2.gz BTVLCKWODKDXDZ-DSJMHWKBSA-N 1 3 326.868 2.839 20 0 EFADHO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000422841406 476804942 /nfs/dbraw/zinc/80/49/42/476804942.db2.gz CXWNHMNPFIQKOC-MJGOQNOKSA-N 1 3 347.572 2.896 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C[C@H](C)N)CC1)c1ccccc1 ZINC000422844321 476806064 /nfs/dbraw/zinc/80/60/64/476806064.db2.gz LNBMBBQBAVXMOZ-FCEWJHQRSA-N 1 3 331.504 2.887 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(NC(=O)c2cccnc2)cc1 ZINC000422849547 476809116 /nfs/dbraw/zinc/80/91/16/476809116.db2.gz VACXXAPZINUQDW-LPHOPBHVSA-N 1 3 338.455 2.941 20 0 EFADHO C[C@@H](NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422868239 476818516 /nfs/dbraw/zinc/81/85/16/476818516.db2.gz URDHEYTUPNGVRE-KDOFPFPSSA-N 1 3 333.451 2.551 20 0 EFADHO CC1CCN(CCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422870802 476819909 /nfs/dbraw/zinc/81/99/09/476819909.db2.gz ZEAULNXMSNDMEE-QUCCMNQESA-N 1 3 329.488 2.564 20 0 EFADHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000422869253 476820010 /nfs/dbraw/zinc/82/00/10/476820010.db2.gz XASQXUPYOCQUCW-KSSFIOAISA-N 1 3 333.451 2.537 20 0 EFADHO COC1CCN(C(C)(C)CN[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422886304 476827847 /nfs/dbraw/zinc/82/78/47/476827847.db2.gz IVJCXAPFJLVAAX-IAGOWNOFSA-N 1 3 325.541 2.776 20 0 EFADHO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000422887656 476828897 /nfs/dbraw/zinc/82/88/97/476828897.db2.gz LFNBMAVKORAHHM-BFSSTPSDSA-N 1 3 343.515 2.539 20 0 EFADHO c1ccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCCN3)CC2)nc1 ZINC000422897729 476833805 /nfs/dbraw/zinc/83/38/05/476833805.db2.gz KHEBTTZZRVHAOZ-QHAWAJNXSA-N 1 3 342.531 2.946 20 0 EFADHO CN(C)CCOc1cccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422899434 476835766 /nfs/dbraw/zinc/83/57/66/476835766.db2.gz OLWUOYJQRDSTCQ-VQTJNVASSA-N 1 3 325.456 2.861 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccccc2)c1 ZINC000394460961 476839070 /nfs/dbraw/zinc/83/90/70/476839070.db2.gz GZTNKBONMLBONQ-UHFFFAOYSA-N 1 3 339.483 2.603 20 0 EFADHO C[C@H](C[C@H](C)N)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000422905256 476839746 /nfs/dbraw/zinc/83/97/46/476839746.db2.gz YXZWEFPTEUEBMH-MJBXVCDLSA-N 1 3 340.309 2.991 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119936 476840029 /nfs/dbraw/zinc/84/00/29/476840029.db2.gz QMJPZMXFDKBXHV-RTWAWAEBSA-N 1 3 345.531 2.692 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](N(C)C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000452119936 476840032 /nfs/dbraw/zinc/84/00/32/476840032.db2.gz QMJPZMXFDKBXHV-RTWAWAEBSA-N 1 3 345.531 2.692 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@@H]3CC[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422926349 476849091 /nfs/dbraw/zinc/84/90/91/476849091.db2.gz WNEPZGHRLULNQK-YLJYHZDGSA-N 1 3 330.520 2.624 20 0 EFADHO CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422934072 476851872 /nfs/dbraw/zinc/85/18/72/476851872.db2.gz FCTVBJQCECGILP-JGUMPVPUSA-N 1 3 327.516 2.942 20 0 EFADHO N[C@@H]1CCCCC[C@@H]1[NH2+]CCCCN1CCN(c2ccccc2)CC1 ZINC000422936197 476853525 /nfs/dbraw/zinc/85/35/25/476853525.db2.gz FDQLWFKWOYAUPZ-RTWAWAEBSA-N 1 3 344.547 2.838 20 0 EFADHO COc1cc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000422941199 476856203 /nfs/dbraw/zinc/85/62/03/476856203.db2.gz OGLCPZRIHKLGPF-FHLIZLRMSA-N 1 3 348.487 2.859 20 0 EFADHO CC(=O)Nc1cccc(OCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422941378 476857638 /nfs/dbraw/zinc/85/76/38/476857638.db2.gz HXHOOMMQEAXRMG-GUDVDZBRSA-N 1 3 331.460 2.534 20 0 EFADHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000422943010 476857958 /nfs/dbraw/zinc/85/79/58/476857958.db2.gz XJSVQHSMFRVHIO-JQFCIGGWSA-N 1 3 326.868 2.841 20 0 EFADHO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OCCN(C)C)cc2)cn1 ZINC000414065054 476860169 /nfs/dbraw/zinc/86/01/69/476860169.db2.gz GLPKPJCHNDXKJP-INIZCTEOSA-N 1 3 343.471 2.751 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN(C)CC[C@@H]([NH3+])C(C)C ZINC000430563025 476860890 /nfs/dbraw/zinc/86/08/90/476860890.db2.gz HSAQRKOROXCTSM-CQSZACIVSA-N 1 3 341.883 2.982 20 0 EFADHO COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000422949453 476860852 /nfs/dbraw/zinc/86/08/52/476860852.db2.gz VCVIKSBTOJVWQV-KLHDSHLOSA-N 1 3 338.517 2.765 20 0 EFADHO COc1cc(OC)cc(OCC[NH2+][C@H]2C[C@H](N)c3ccccc32)c1 ZINC000422947807 476861143 /nfs/dbraw/zinc/86/11/43/476861143.db2.gz ZAWCAVDCJGEWRV-OALUTQOASA-N 1 3 328.412 2.817 20 0 EFADHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000430566985 476861835 /nfs/dbraw/zinc/86/18/35/476861835.db2.gz DDDJSAFMZKVVLJ-OAHLLOKOSA-N 1 3 331.382 2.997 20 0 EFADHO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(CN)nc2C)c1 ZINC000422951191 476862204 /nfs/dbraw/zinc/86/22/04/476862204.db2.gz ZUJIAXSPZCCVDB-ZDUSSCGKSA-N 1 3 342.443 2.537 20 0 EFADHO O=C(CCCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000422951810 476862460 /nfs/dbraw/zinc/86/24/60/476862460.db2.gz AFQJMJALPTZQQO-GUDVDZBRSA-N 1 3 341.499 2.866 20 0 EFADHO C[C@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430567813 476862635 /nfs/dbraw/zinc/86/26/35/476862635.db2.gz GJANWYKNGCFZID-JSGCOSHPSA-N 1 3 334.851 2.992 20 0 EFADHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)c1cccs1 ZINC000422953828 476864154 /nfs/dbraw/zinc/86/41/54/476864154.db2.gz GPSVXSXAGZIKGH-HRCADAONSA-N 1 3 335.517 2.768 20 0 EFADHO O=C(NCCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000422953828 476864164 /nfs/dbraw/zinc/86/41/64/476864164.db2.gz GPSVXSXAGZIKGH-HRCADAONSA-N 1 3 335.517 2.768 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCc1cncn1C ZINC000398036176 476866237 /nfs/dbraw/zinc/86/62/37/476866237.db2.gz PWTXBTGHNZWSQC-YLJYHZDGSA-N 1 3 326.488 2.853 20 0 EFADHO C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C1(C[NH3+])CCCC1 ZINC000398038192 476867073 /nfs/dbraw/zinc/86/70/73/476867073.db2.gz JRTADAZYAWAOQJ-FUHWJXTLSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](c1ccco1)N1CCCC1 ZINC000422961617 476867881 /nfs/dbraw/zinc/86/78/81/476867881.db2.gz CJWCQWFBPJHYOO-WDSOQIARSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000422961617 476867886 /nfs/dbraw/zinc/86/78/86/476867886.db2.gz CJWCQWFBPJHYOO-WDSOQIARSA-N 1 3 327.472 2.965 20 0 EFADHO C[C@@H]([NH3+])[C@H]1CCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430584082 476869057 /nfs/dbraw/zinc/86/90/57/476869057.db2.gz NXTKBZMGDWTVRM-OCCSQVGLSA-N 1 3 334.851 2.992 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000398137381 476869363 /nfs/dbraw/zinc/86/93/63/476869363.db2.gz LHHXVUGHUSWHOB-AFYVEPGGSA-N 1 3 343.515 2.921 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175585 476871065 /nfs/dbraw/zinc/87/10/65/476871065.db2.gz TYXHENAYPNCCQX-SJORKVTESA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175585 476871070 /nfs/dbraw/zinc/87/10/70/476871070.db2.gz TYXHENAYPNCCQX-SJORKVTESA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CC1(C)C ZINC000414084425 476871471 /nfs/dbraw/zinc/87/14/71/476871471.db2.gz XFEXTVUJXWJSOF-QZTJIDSGSA-N 1 3 331.504 2.892 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175582 476871421 /nfs/dbraw/zinc/87/14/21/476871421.db2.gz TYXHENAYPNCCQX-DLBZAZTESA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCN(C2CC2)C1 ZINC000452175582 476871425 /nfs/dbraw/zinc/87/14/25/476871425.db2.gz TYXHENAYPNCCQX-DLBZAZTESA-N 1 3 333.520 2.584 20 0 EFADHO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OCCN(C)C)c2)cn1 ZINC000414084506 476871611 /nfs/dbraw/zinc/87/16/11/476871611.db2.gz XTTBPFQRAWMMMZ-MRXNPFEDSA-N 1 3 343.471 2.751 20 0 EFADHO Cc1ccc(-c2noc(CCCN[C@@](C)(C[NH3+])C3CC3)n2)cc1F ZINC000430590784 476873630 /nfs/dbraw/zinc/87/36/30/476873630.db2.gz DIRDZSKGHNDJMJ-SFHVURJKSA-N 1 3 332.423 2.834 20 0 EFADHO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414190172 476874467 /nfs/dbraw/zinc/87/44/67/476874467.db2.gz KKZAKLLONUFYRY-RBUKOAKNSA-N 1 3 337.552 2.587 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000422973097 476874369 /nfs/dbraw/zinc/87/43/69/476874369.db2.gz BGMKIPNJGXBNHI-PBHICJAKSA-N 1 3 338.455 2.584 20 0 EFADHO C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000422975838 476874944 /nfs/dbraw/zinc/87/49/44/476874944.db2.gz HNTBGISUQPJMEA-HMXCVIKNSA-N 1 3 345.531 2.524 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CCN(C)CC2)c2ccccc21 ZINC000414180977 476875026 /nfs/dbraw/zinc/87/50/26/476875026.db2.gz BMYWPJOOHUVYHO-FXAWDEMLSA-N 1 3 343.515 2.621 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000457104803 476877783 /nfs/dbraw/zinc/87/77/83/476877783.db2.gz BWAPUOOSEQXGAN-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000457104803 476877791 /nfs/dbraw/zinc/87/77/91/476877791.db2.gz BWAPUOOSEQXGAN-VQTJNVASSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@H](Nc1cccc(CN2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000422983287 476878416 /nfs/dbraw/zinc/87/84/16/476878416.db2.gz SPRUGGPCYIBOEK-PMACEKPBSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128310 476879831 /nfs/dbraw/zinc/87/98/31/476879831.db2.gz LSNUYAVQSFEGDW-OZSLIKBDSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1C(=O)OC(C)(C)C ZINC000399128310 476879838 /nfs/dbraw/zinc/87/98/38/476879838.db2.gz LSNUYAVQSFEGDW-OZSLIKBDSA-N 1 3 337.508 2.989 20 0 EFADHO C[C@@H](NC(=O)[C@@H](C)N1CCC(C[NH3+])CC1)c1ccc2c(c1)CCCC2 ZINC000430613130 476880829 /nfs/dbraw/zinc/88/08/29/476880829.db2.gz UZQPWVIFBWSZQI-HZPDHXFCSA-N 1 3 343.515 2.802 20 0 EFADHO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000422993212 476883163 /nfs/dbraw/zinc/88/31/63/476883163.db2.gz RCAZNGBDLWFPRP-LAUBAEHRSA-N 1 3 338.499 2.846 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000399526037 476884194 /nfs/dbraw/zinc/88/41/94/476884194.db2.gz QDKUJMPUIDQQMR-WDSOQIARSA-N 1 3 331.504 2.634 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1cccc(COCC(F)(F)F)c1 ZINC000422999190 476884948 /nfs/dbraw/zinc/88/49/48/476884948.db2.gz DWPWGFXXUMSZRK-RCBQFDQVSA-N 1 3 346.393 2.607 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000399730862 476885332 /nfs/dbraw/zinc/88/53/32/476885332.db2.gz LVNHEYPXZYJKHX-APWZRJJASA-N 1 3 346.519 2.695 20 0 EFADHO COC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)cc1OC ZINC000423005124 476888286 /nfs/dbraw/zinc/88/82/86/476888286.db2.gz QUUQLAZLRSAFLW-KSSFIOAISA-N 1 3 342.439 2.530 20 0 EFADHO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717162 476888650 /nfs/dbraw/zinc/88/86/50/476888650.db2.gz XUNMHERQNMAFHM-WOJBJXKFSA-N 1 3 345.531 2.835 20 0 EFADHO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414717162 476888656 /nfs/dbraw/zinc/88/86/56/476888656.db2.gz XUNMHERQNMAFHM-WOJBJXKFSA-N 1 3 345.531 2.835 20 0 EFADHO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000423010425 476889269 /nfs/dbraw/zinc/88/92/69/476889269.db2.gz GFWRJTMQJIKPRO-RLLQIKCJSA-N 1 3 343.515 2.936 20 0 EFADHO CCOc1ccc(Cl)cc1CCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000423010709 476891011 /nfs/dbraw/zinc/89/10/11/476891011.db2.gz HFAIYAIQRBJCQT-DAXOMENPSA-N 1 3 326.868 2.623 20 0 EFADHO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000423010709 476891017 /nfs/dbraw/zinc/89/10/17/476891017.db2.gz HFAIYAIQRBJCQT-DAXOMENPSA-N 1 3 326.868 2.623 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)CN(C)C ZINC000400575893 476891578 /nfs/dbraw/zinc/89/15/78/476891578.db2.gz OYIRTELKQZRQFQ-GJZGRUSLSA-N 1 3 327.513 2.809 20 0 EFADHO COc1cc2c(c(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)O[C@@H](C)C2 ZINC000414772853 476892746 /nfs/dbraw/zinc/89/27/46/476892746.db2.gz CQIWSNYEXVKTCA-JYJNAYRXSA-N 1 3 330.472 2.840 20 0 EFADHO CO[C@@H]1[C@H](C)[C@H](N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1(C)C ZINC000423016419 476893181 /nfs/dbraw/zinc/89/31/81/476893181.db2.gz MQPWMQXSRCOFNB-TZVLKLNCSA-N 1 3 330.472 2.891 20 0 EFADHO C[C@H](NCCCOc1ncc(C(F)(F)F)cc1Cl)C1C[NH2+]C1 ZINC000423018358 476893222 /nfs/dbraw/zinc/89/32/22/476893222.db2.gz YRAOTROIYIPTTB-VIFPVBQESA-N 1 3 337.773 2.720 20 0 EFADHO C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)C1CNC1 ZINC000423018358 476893229 /nfs/dbraw/zinc/89/32/29/476893229.db2.gz YRAOTROIYIPTTB-VIFPVBQESA-N 1 3 337.773 2.720 20 0 EFADHO O=C(c1ccoc1)N1CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000414816848 476893541 /nfs/dbraw/zinc/89/35/41/476893541.db2.gz YEDSBODDQFLIMM-UHFFFAOYSA-N 1 3 333.476 2.786 20 0 EFADHO CN1CCC(CC(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000366176505 476893783 /nfs/dbraw/zinc/89/37/83/476893783.db2.gz MFXUPDZLJBVCPJ-NRFANRHFSA-N 1 3 343.515 2.747 20 0 EFADHO CN1CCC(CC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000366176505 476893792 /nfs/dbraw/zinc/89/37/92/476893792.db2.gz MFXUPDZLJBVCPJ-NRFANRHFSA-N 1 3 343.515 2.747 20 0 EFADHO CN(C)CCN(CC1CCCCC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446619435 476896273 /nfs/dbraw/zinc/89/62/73/476896273.db2.gz FVTUVHLGWCHTSS-UHFFFAOYSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423028675 476896255 /nfs/dbraw/zinc/89/62/55/476896255.db2.gz TVDVSJCARGQPSB-IAQYHMDHSA-N 1 3 327.831 2.692 20 0 EFADHO CC(C)(C)c1nc(CCN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cs1 ZINC000423027001 476896382 /nfs/dbraw/zinc/89/63/82/476896382.db2.gz QVUBLNFQSPVZCY-BZUAXINKSA-N 1 3 337.533 2.730 20 0 EFADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029048 476896424 /nfs/dbraw/zinc/89/64/24/476896424.db2.gz HMVGBZXCKNSHQT-CJNGLKHVSA-N 1 3 332.423 2.786 20 0 EFADHO C[C@@H]1CCNCC[C@@H]1[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000423029048 476896428 /nfs/dbraw/zinc/89/64/28/476896428.db2.gz HMVGBZXCKNSHQT-CJNGLKHVSA-N 1 3 332.423 2.786 20 0 EFADHO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH2+]C[C@@H]3CCCNC3)C[C@H]2C1 ZINC000401133791 476897960 /nfs/dbraw/zinc/89/79/60/476897960.db2.gz USCPQNNODUTRMM-QZWWFDLISA-N 1 3 337.508 2.611 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423034176 476898164 /nfs/dbraw/zinc/89/81/64/476898164.db2.gz PNIRVVBDFKOGOB-VAMGGRTRSA-N 1 3 344.499 2.864 20 0 EFADHO COc1ccc(C2(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC000423034178 476898657 /nfs/dbraw/zinc/89/86/57/476898657.db2.gz PNIRVVBDFKOGOB-XUVXKRRUSA-N 1 3 344.499 2.864 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000414952461 476898850 /nfs/dbraw/zinc/89/88/50/476898850.db2.gz QUHYHYAXGKPXKG-DYEKYZERSA-N 1 3 339.867 2.796 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000414952461 476898858 /nfs/dbraw/zinc/89/88/58/476898858.db2.gz QUHYHYAXGKPXKG-DYEKYZERSA-N 1 3 339.867 2.796 20 0 EFADHO COC[C@@]1(C[NH2+][C@H](C)Cc2ccc(Br)cc2)CCCN1 ZINC000414962523 476903392 /nfs/dbraw/zinc/90/33/92/476903392.db2.gz WHAJINOJTCGTRW-CJNGLKHVSA-N 1 3 341.293 2.738 20 0 EFADHO C[C@H]1CC[NH2+]CC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423046549 476903610 /nfs/dbraw/zinc/90/36/10/476903610.db2.gz DUJQPABUNFLESW-GXTWGEPZSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H]1CCNCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423046549 476903615 /nfs/dbraw/zinc/90/36/15/476903615.db2.gz DUJQPABUNFLESW-GXTWGEPZSA-N 1 3 331.382 2.543 20 0 EFADHO C[C@H](CCCC[NH3+])N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000423048385 476905886 /nfs/dbraw/zinc/90/58/86/476905886.db2.gz HUAOYVYLIGKZRV-TZMCWYRMSA-N 1 3 343.393 2.918 20 0 EFADHO [NH3+][C@H]1CCCCC[C@H]1NCCc1ccc(OCC(F)(F)F)nc1 ZINC000423054753 476908557 /nfs/dbraw/zinc/90/85/57/476908557.db2.gz UYLCJDAUGCTIOU-UONOGXRCSA-N 1 3 331.382 2.815 20 0 EFADHO C[C@@H](CCC[NH3+])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000423067955 476913517 /nfs/dbraw/zinc/91/35/17/476913517.db2.gz IXHBMYYAAXYLMT-GWCFXTLKSA-N 1 3 330.259 2.816 20 0 EFADHO O=C1c2ccccc2CCN1CCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423066492 476913659 /nfs/dbraw/zinc/91/36/59/476913659.db2.gz DVRVDMLYPNFUQN-HSALFYBXSA-N 1 3 341.499 2.585 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000370649508 476914614 /nfs/dbraw/zinc/91/46/14/476914614.db2.gz FEVKZKMUPUCVEL-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2)C1 ZINC000370649508 476914619 /nfs/dbraw/zinc/91/46/19/476914619.db2.gz FEVKZKMUPUCVEL-RBUKOAKNSA-N 1 3 348.535 2.663 20 0 EFADHO [NH3+]C1CCC(N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000423069826 476915639 /nfs/dbraw/zinc/91/56/39/476915639.db2.gz MIUFACBTDXHFNW-YIZWMMSDSA-N 1 3 342.270 2.958 20 0 EFADHO Cc1nc(CN)ccc1[C@H](C)[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000423072775 476917114 /nfs/dbraw/zinc/91/71/14/476917114.db2.gz JURWAKKZPLCDOR-YWZLYKJASA-N 1 3 327.472 2.741 20 0 EFADHO C[C@@H](CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)Oc1ccc(Cl)cc1 ZINC000423079002 476918848 /nfs/dbraw/zinc/91/88/48/476918848.db2.gz XFIZOGNCYRQCEG-HNONPPJISA-N 1 3 338.879 2.854 20 0 EFADHO COC(=O)c1csc(-c2cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c2)n1 ZINC000423078461 476918987 /nfs/dbraw/zinc/91/89/87/476918987.db2.gz OMWRERQRUUCQKT-NEPJUHHUSA-N 1 3 333.457 2.812 20 0 EFADHO CC[C@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000423076548 476919116 /nfs/dbraw/zinc/91/91/16/476919116.db2.gz RNUYGJOUTKXUAP-HKBOAZHASA-N 1 3 345.531 2.788 20 0 EFADHO c1ccc(N2CCC[C@H](CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423081093 476920404 /nfs/dbraw/zinc/92/04/04/476920404.db2.gz BCYAZBYZSGUSIT-BVOGOJNSSA-N 1 3 343.515 2.650 20 0 EFADHO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260089 476928721 /nfs/dbraw/zinc/92/87/21/476928721.db2.gz PWSVYGBFJZWLRY-WDSOQIARSA-N 1 3 331.504 2.904 20 0 EFADHO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCCN(C)C)cc1 ZINC000366260089 476928727 /nfs/dbraw/zinc/92/87/27/476928727.db2.gz PWSVYGBFJZWLRY-WDSOQIARSA-N 1 3 331.504 2.904 20 0 EFADHO O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407304252 476931510 /nfs/dbraw/zinc/93/15/10/476931510.db2.gz CIFIBAWYEYBYEM-DFQSSKMNSA-N 1 3 341.499 2.545 20 0 EFADHO COc1ccc([C@H]2C[C@H](N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000423115416 476932568 /nfs/dbraw/zinc/93/25/68/476932568.db2.gz NHTMUBYRMQYASE-BGJMDTOESA-N 1 3 348.462 2.827 20 0 EFADHO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC1CCN(c2nccs2)CC1 ZINC000423114302 476932647 /nfs/dbraw/zinc/93/26/47/476932647.db2.gz ZHTNFQQFOLGJDL-RHSMWYFYSA-N 1 3 330.501 2.660 20 0 EFADHO CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCN(Cc2ccccc2)CC1 ZINC000407357740 476933025 /nfs/dbraw/zinc/93/30/25/476933025.db2.gz PBDUPWRDGDMZIX-WOJBJXKFSA-N 1 3 341.499 2.640 20 0 EFADHO COc1ccc(-c2n[nH]cc2CN2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000430914437 476934154 /nfs/dbraw/zinc/93/41/54/476934154.db2.gz KLIAQGNOMWIPGP-UHFFFAOYSA-N 1 3 326.444 2.661 20 0 EFADHO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](CO)c1ccccc1Cl ZINC000423118725 476934783 /nfs/dbraw/zinc/93/47/83/476934783.db2.gz CBHOMWMUEKCMDG-URLQWDBASA-N 1 3 332.875 2.964 20 0 EFADHO CC(C)Cc1ccc([C@H](CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423118425 476935053 /nfs/dbraw/zinc/93/50/53/476935053.db2.gz AMZSTWGNPXYCPR-RCOXNQKVSA-N 1 3 347.547 2.830 20 0 EFADHO C[NH2+]CCC1CCN(C(=O)Nc2ccccc2CCN(C)C)CC1 ZINC000415586496 476943170 /nfs/dbraw/zinc/94/31/70/476943170.db2.gz XZZRLGLKMJWZOT-UHFFFAOYSA-N 1 3 332.492 2.644 20 0 EFADHO CC(C)CCN(CCC(C)C)C(=O)CN1CCC([C@@H](C)[NH3+])CC1 ZINC000430940698 476945023 /nfs/dbraw/zinc/94/50/23/476945023.db2.gz QLEQZKRTTBHEEC-QGZVFWFLSA-N 1 3 325.541 2.966 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)C[C@H](C)N ZINC000423153280 476945763 /nfs/dbraw/zinc/94/57/63/476945763.db2.gz HIPHMBYTKORWAT-SCRDCRAPSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1c(Br)cccc1C[C@H](CO)CN[C@H](C)C[C@H](C)[NH3+] ZINC000423153280 476945759 /nfs/dbraw/zinc/94/57/59/476945759.db2.gz HIPHMBYTKORWAT-SCRDCRAPSA-N 1 3 343.309 2.624 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430957871 476948719 /nfs/dbraw/zinc/94/87/19/476948719.db2.gz QLLDQBNTTHFXAI-HRCADAONSA-N 1 3 331.504 2.874 20 0 EFADHO Cc1ccc(C[C@H](CO)CN[C@@H](C)C[C@H](C)[NH3+])cc1Br ZINC000423168523 476951695 /nfs/dbraw/zinc/95/16/95/476951695.db2.gz YGDXEICGYKQCHG-YDHLFZDLSA-N 1 3 343.309 2.624 20 0 EFADHO Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)C[C@H](C)N)cc1Br ZINC000423168523 476951703 /nfs/dbraw/zinc/95/17/03/476951703.db2.gz YGDXEICGYKQCHG-YDHLFZDLSA-N 1 3 343.309 2.624 20 0 EFADHO [NH3+]C[C@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430964030 476952751 /nfs/dbraw/zinc/95/27/51/476952751.db2.gz XGMAJAPVXFBXIC-DNVCBOLYSA-N 1 3 343.496 2.624 20 0 EFADHO Clc1cc2c(c(Cl)c1)[C@H](NCCCN1CC[NH2+]CC1)CC2 ZINC000423175878 476953658 /nfs/dbraw/zinc/95/36/58/476953658.db2.gz FJSMWHCWXNUISC-OAHLLOKOSA-N 1 3 328.287 2.866 20 0 EFADHO C[C@@H](NCCCN1CC[NH2+]CC1)c1nc(-c2ccccc2)cs1 ZINC000423182666 476955130 /nfs/dbraw/zinc/95/51/30/476955130.db2.gz QYRSAJNNQYENBX-OAHLLOKOSA-N 1 3 330.501 2.756 20 0 EFADHO Cc1cc([C@H](NCCCN2CC[NH2+]CC2)c2cccnc2)ccc1F ZINC000423181820 476955946 /nfs/dbraw/zinc/95/59/46/476955946.db2.gz JPWWTNRCXALOHU-FQEVSTJZSA-N 1 3 342.462 2.503 20 0 EFADHO CC[C@@H](NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000423185255 476958095 /nfs/dbraw/zinc/95/80/95/476958095.db2.gz UWEWMJRBKOUHRL-OAHLLOKOSA-N 1 3 327.419 2.624 20 0 EFADHO CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431013202 476959798 /nfs/dbraw/zinc/95/97/98/476959798.db2.gz HSMGYAXYFBYNHA-IAGOWNOFSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CC[NH2+]C2)CC1 ZINC000431013316 476960740 /nfs/dbraw/zinc/96/07/40/476960740.db2.gz IGPWUCOQNBJPQZ-HOTGVXAUSA-N 1 3 347.528 2.876 20 0 EFADHO CSC[C@@H](NCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000423205804 476963852 /nfs/dbraw/zinc/96/38/52/476963852.db2.gz PPHIUPLPSCXSOS-OAHLLOKOSA-N 1 3 347.450 2.604 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000415906328 476965697 /nfs/dbraw/zinc/96/56/97/476965697.db2.gz XGROGJSRTMTWRJ-SFHVURJKSA-N 1 3 338.455 2.802 20 0 EFADHO O=C([C@H](c1ccccc1)N1CCC2(CC[NH2+]C2)CC1)N1CCCCC1 ZINC000431043969 476966223 /nfs/dbraw/zinc/96/62/23/476966223.db2.gz TZVKSTZUPRJLMZ-IBGZPJMESA-N 1 3 341.499 2.816 20 0 EFADHO CC(C)c1ccc([C@H](N)CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423239263 476972125 /nfs/dbraw/zinc/97/21/25/476972125.db2.gz JQXIDZNONBLBNX-MTQWCTHYSA-N 1 3 331.504 2.557 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)N(C)CCCN(C)Cc2ccco2)c1 ZINC000415925929 476972399 /nfs/dbraw/zinc/97/23/99/476972399.db2.gz BQXPSSGGONFECJ-UHFFFAOYSA-N 1 3 344.459 2.985 20 0 EFADHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCCC1 ZINC000370762800 476973522 /nfs/dbraw/zinc/97/35/22/476973522.db2.gz BDXLFPPCTCKAMZ-HXUWFJFHSA-N 1 3 341.499 2.773 20 0 EFADHO NC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000370762800 476973527 /nfs/dbraw/zinc/97/35/27/476973527.db2.gz BDXLFPPCTCKAMZ-HXUWFJFHSA-N 1 3 341.499 2.773 20 0 EFADHO O=C(C[NH2+]CC1CC1)N1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000370763685 476973932 /nfs/dbraw/zinc/97/39/32/476973932.db2.gz NSZONBDFWQWVAV-NRFANRHFSA-N 1 3 341.499 2.501 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)NCc2cccc(CN(C)C)c2)c1 ZINC000415933887 476975039 /nfs/dbraw/zinc/97/50/39/476975039.db2.gz QRJFNCLYIKYAHD-UHFFFAOYSA-N 1 3 326.444 2.789 20 0 EFADHO COCCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000423272605 476980544 /nfs/dbraw/zinc/98/05/44/476980544.db2.gz JWYVDFOZTQEPOJ-BHYGNILZSA-N 1 3 336.476 2.889 20 0 EFADHO O=C1O[C@@H](C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742023 476982182 /nfs/dbraw/zinc/98/21/82/476982182.db2.gz GHPIZOGVDQXMDT-UYAOXDASSA-N 1 3 340.467 2.680 20 0 EFADHO O=C1O[C@@H](C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)CC12CC2 ZINC000375742023 476982187 /nfs/dbraw/zinc/98/21/87/476982187.db2.gz GHPIZOGVDQXMDT-UYAOXDASSA-N 1 3 340.467 2.680 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000423309075 476988654 /nfs/dbraw/zinc/98/86/54/476988654.db2.gz KWHNKPKTKKUVBI-LZQZEXGQSA-N 1 3 349.519 2.814 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 ZINC000423315595 476991370 /nfs/dbraw/zinc/99/13/70/476991370.db2.gz JBTUDXDBVPIPQT-CQSZACIVSA-N 1 3 327.428 2.899 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423321000 476993161 /nfs/dbraw/zinc/99/31/61/476993161.db2.gz GZVORPJPZLVCCH-GQIGUUNPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)C1 ZINC000423321000 476993164 /nfs/dbraw/zinc/99/31/64/476993164.db2.gz GZVORPJPZLVCCH-GQIGUUNPSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423328518 476995969 /nfs/dbraw/zinc/99/59/69/476995969.db2.gz KRSULMMAASLXGG-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423328518 476995977 /nfs/dbraw/zinc/99/59/77/476995977.db2.gz KRSULMMAASLXGG-DNVCBOLYSA-N 1 3 329.488 2.662 20 0 EFADHO C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000423333092 476997088 /nfs/dbraw/zinc/99/70/88/476997088.db2.gz DTARQWQPWJIEJH-BEFAXECRSA-N 1 3 325.456 2.609 20 0 EFADHO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H](N)C3CCC3)cc2)CC1 ZINC000423333731 476997361 /nfs/dbraw/zinc/99/73/61/476997361.db2.gz OHOTUGMGEPBZJU-LJQANCHMSA-N 1 3 329.488 2.662 20 0 EFADHO CC(C)[C@@H](C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H](C)[NH3+] ZINC000423333683 476997575 /nfs/dbraw/zinc/99/75/75/476997575.db2.gz SBSHYAIJIYBRCC-CRAIPNDOSA-N 1 3 331.504 2.559 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423338488 476999445 /nfs/dbraw/zinc/99/94/45/476999445.db2.gz RTXDCKIUADKCPV-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](N)C1CCC1 ZINC000423338488 476999449 /nfs/dbraw/zinc/99/94/49/476999449.db2.gz RTXDCKIUADKCPV-DNVCBOLYSA-N 1 3 329.488 2.805 20 0 EFADHO CC[C@H](CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000423341276 476999899 /nfs/dbraw/zinc/99/98/99/476999899.db2.gz XZBAMGFNTPZNJR-LZQZEXGQSA-N 1 3 331.504 2.559 20 0 EFADHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423338490 477000325 /nfs/dbraw/zinc/00/03/25/477000325.db2.gz RTXDCKIUADKCPV-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C1CCC1 ZINC000423338490 477000331 /nfs/dbraw/zinc/00/03/31/477000331.db2.gz RTXDCKIUADKCPV-KXBFYZLASA-N 1 3 329.488 2.805 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](N)C2CCC2)C1 ZINC000423339973 477000373 /nfs/dbraw/zinc/00/03/73/477000373.db2.gz XFBXBDVLJXBLAN-JXXFODFXSA-N 1 3 343.515 2.908 20 0 EFADHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423342950 477000976 /nfs/dbraw/zinc/00/09/76/477000976.db2.gz LCZOUKSUMHJQKW-OAHLLOKOSA-N 1 3 326.444 2.569 20 0 EFADHO C[NH+](C)CCOc1cccc(CNC(=O)[C@H](N)CC2CCCCC2)c1 ZINC000423346189 477001479 /nfs/dbraw/zinc/00/14/79/477001479.db2.gz YNKJDWAKWDAVCH-LJQANCHMSA-N 1 3 347.503 2.541 20 0 EFADHO CCN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000423351050 477002409 /nfs/dbraw/zinc/00/24/09/477002409.db2.gz HJAUBRJOONKOST-SJLPKXTDSA-N 1 3 329.488 2.799 20 0 EFADHO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423353097 477002783 /nfs/dbraw/zinc/00/27/83/477002783.db2.gz AYUUNXNJGOIMCH-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000423353097 477002790 /nfs/dbraw/zinc/00/27/90/477002790.db2.gz AYUUNXNJGOIMCH-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO CCN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000423351049 477002822 /nfs/dbraw/zinc/00/28/22/477002822.db2.gz HJAUBRJOONKOST-FUHWJXTLSA-N 1 3 329.488 2.799 20 0 EFADHO N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C1CCC1 ZINC000423352770 477003056 /nfs/dbraw/zinc/00/30/56/477003056.db2.gz BQHKUGMLDARZME-LJQANCHMSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423359304 477004154 /nfs/dbraw/zinc/00/41/54/477004154.db2.gz OTXKCBLWSVNHFX-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2NCCCC2(C)C)C1 ZINC000423359304 477004163 /nfs/dbraw/zinc/00/41/63/477004163.db2.gz OTXKCBLWSVNHFX-KURKYZTESA-N 1 3 335.536 2.878 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](C)CCN3)c2)CC1 ZINC000423361814 477004250 /nfs/dbraw/zinc/00/42/50/477004250.db2.gz SAAGZWZOIYOINU-FXAWDEMLSA-N 1 3 343.515 2.923 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H]1CCc2cc(Cl)ccc21)N1CC[NH2+]CC1 ZINC000423371045 477009189 /nfs/dbraw/zinc/00/91/89/477009189.db2.gz AEYKKCVTJRGYTD-HUUCEWRRSA-N 1 3 347.812 2.753 20 0 EFADHO FC(F)(F)[C@@H](CN[C@@H](c1ccccc1)C1CC1)N1CC[NH2+]CC1 ZINC000423375182 477010829 /nfs/dbraw/zinc/01/08/29/477010829.db2.gz CXRKOOHSFGCIOT-CVEARBPZSA-N 1 3 327.394 2.563 20 0 EFADHO CCc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000423375961 477010979 /nfs/dbraw/zinc/01/09/79/477010979.db2.gz DLKLFYFHWFIQHU-SMDDNHRTSA-N 1 3 335.439 2.797 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000423381848 477012172 /nfs/dbraw/zinc/01/21/72/477012172.db2.gz ZVLBSBFAJYCIHH-UHFFFAOYSA-N 1 3 329.488 2.539 20 0 EFADHO CSc1ccccc1[C@@H](C)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383990 477012344 /nfs/dbraw/zinc/01/23/44/477012344.db2.gz JQXCAVGRBPOLIY-IUODEOHRSA-N 1 3 347.450 2.895 20 0 EFADHO CSc1ccccc1[C@H](C)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383996 477012442 /nfs/dbraw/zinc/01/24/42/477012442.db2.gz JQXCAVGRBPOLIY-WFASDCNBSA-N 1 3 347.450 2.895 20 0 EFADHO C[NH+](C)CCOCCN[C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000447598196 477020294 /nfs/dbraw/zinc/02/02/94/477020294.db2.gz USHXEODXYBULBG-OAHLLOKOSA-N 1 3 332.366 2.740 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598478 477020582 /nfs/dbraw/zinc/02/05/82/477020582.db2.gz HPGBEYBFICHAOK-IHPCNDPISA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598478 477020586 /nfs/dbraw/zinc/02/05/86/477020586.db2.gz HPGBEYBFICHAOK-IHPCNDPISA-N 1 3 337.552 2.730 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCCN2C2CC2)[C@@H](C)C1 ZINC000447598478 477020593 /nfs/dbraw/zinc/02/05/93/477020593.db2.gz HPGBEYBFICHAOK-IHPCNDPISA-N 1 3 337.552 2.730 20 0 EFADHO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(NS(C)(=O)=O)cc1 ZINC000423405653 477020896 /nfs/dbraw/zinc/02/08/96/477020896.db2.gz YFSXYGXHRFBGPK-ZDUSSCGKSA-N 1 3 345.468 2.512 20 0 EFADHO c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCc1ccc2c(c1)CNC2 ZINC000423406946 477021686 /nfs/dbraw/zinc/02/16/86/477021686.db2.gz ZMWFAWXZRMRLKT-CTNGQTDRSA-N 1 3 335.451 2.635 20 0 EFADHO C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2NCCCC2(C)C)c1 ZINC000423408819 477023028 /nfs/dbraw/zinc/02/30/28/477023028.db2.gz PDIJYPXAELQNLD-KRWDZBQOSA-N 1 3 333.476 2.734 20 0 EFADHO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[C@@H](N)c1ccccc1 ZINC000423418981 477026320 /nfs/dbraw/zinc/02/63/20/477026320.db2.gz ICUKRNPCVQVKOB-AEFFLSMTSA-N 1 3 329.488 2.657 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423441515 477034617 /nfs/dbraw/zinc/03/46/17/477034617.db2.gz UNHADVQYHMTIAK-MJGOQNOKSA-N 1 3 343.515 2.903 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)[C@@H](N)c2ccccc2)C1 ZINC000423441515 477034624 /nfs/dbraw/zinc/03/46/24/477034624.db2.gz UNHADVQYHMTIAK-MJGOQNOKSA-N 1 3 343.515 2.903 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000423445570 477037104 /nfs/dbraw/zinc/03/71/04/477037104.db2.gz YKIQZHIUGXKSNT-QMMLZNLJSA-N 1 3 345.531 2.600 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NC[C@@H]2NCCc3ccccc32)[C@H](C)C1 ZINC000423445570 477037113 /nfs/dbraw/zinc/03/71/13/477037113.db2.gz YKIQZHIUGXKSNT-QMMLZNLJSA-N 1 3 345.531 2.600 20 0 EFADHO C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000457482423 477043240 /nfs/dbraw/zinc/04/32/40/477043240.db2.gz FKXQLBBQFLGUNO-GOSISDBHSA-N 1 3 346.519 2.681 20 0 EFADHO CC[NH+](CC)C[C@@H]1CCN(C(=O)C[C@@H](c2ccccc2)N(C)C)C1 ZINC000416158143 477045834 /nfs/dbraw/zinc/04/58/34/477045834.db2.gz FIYIZCQROYPIIZ-HKUYNNGSSA-N 1 3 331.504 2.870 20 0 EFADHO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CNCCC2(F)F)CC1 ZINC000423487891 477047178 /nfs/dbraw/zinc/04/71/78/477047178.db2.gz USDSHRZJHKOANT-CRAIPNDOSA-N 1 3 337.458 2.669 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CNC[C@H]2c2ccccc2)C[C@@H]1C ZINC000423498857 477050111 /nfs/dbraw/zinc/05/01/11/477050111.db2.gz BLDALTFJUFODIF-SXXASDTRSA-N 1 3 330.472 2.700 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](CCCN3CCCC3)CC[C@H]21 ZINC000366544779 477060148 /nfs/dbraw/zinc/06/01/48/477060148.db2.gz NQWJBBUYXJIDQU-IAGOWNOFSA-N 1 3 337.508 2.804 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCCN3CCCC3)CC[C@H]21 ZINC000366544779 477060157 /nfs/dbraw/zinc/06/01/57/477060157.db2.gz NQWJBBUYXJIDQU-IAGOWNOFSA-N 1 3 337.508 2.804 20 0 EFADHO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC000423528156 477063112 /nfs/dbraw/zinc/06/31/12/477063112.db2.gz NENSCIVRDDEPFB-HLRQEUIKSA-N 1 3 335.495 2.995 20 0 EFADHO C[C@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CN1Cc1ccccc1 ZINC000423528155 477064486 /nfs/dbraw/zinc/06/44/86/477064486.db2.gz NENSCIVRDDEPFB-AGOPTVSRSA-N 1 3 335.495 2.995 20 0 EFADHO CC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN(Cc2ccccc2)CC1 ZINC000423562581 477071769 /nfs/dbraw/zinc/07/17/69/477071769.db2.gz QSZSLXBGPICPNC-OAQYLSRUSA-N 1 3 341.499 2.501 20 0 EFADHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CCN1CCc2ccccc2C1 ZINC000416235282 477084500 /nfs/dbraw/zinc/08/45/00/477084500.db2.gz SPUMOQAYIKNQNE-PXNSSMCTSA-N 1 3 341.499 2.520 20 0 EFADHO CN(C)Cc1ccccc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423653624 477100345 /nfs/dbraw/zinc/10/03/45/477100345.db2.gz PGUROCCOSUZDRE-UHFFFAOYSA-N 1 3 327.403 2.785 20 0 EFADHO C[C@@H](CNC(=O)NC[C@@H]1N(C)CCCC1(C)C)C[NH+]1CCCCC1 ZINC000447954107 477100478 /nfs/dbraw/zinc/10/04/78/477100478.db2.gz KQEODMXELHVGOF-IRXDYDNUSA-N 1 3 338.540 2.528 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000431854897 477110232 /nfs/dbraw/zinc/11/02/32/477110232.db2.gz QGXQJVSVGDBKKE-IPMKNSEASA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000431854897 477110238 /nfs/dbraw/zinc/11/02/38/477110238.db2.gz QGXQJVSVGDBKKE-IPMKNSEASA-N 1 3 329.488 2.622 20 0 EFADHO C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423706724 477117774 /nfs/dbraw/zinc/11/77/74/477117774.db2.gz CAKOPVCULRPHMU-APWZRJJASA-N 1 3 329.488 2.799 20 0 EFADHO C[NH2+]CCc1ccccc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000423709262 477118104 /nfs/dbraw/zinc/11/81/04/477118104.db2.gz IERBBPGTDLXQES-UHFFFAOYSA-N 1 3 329.488 2.539 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@H]2N(C)CCCC2(C)C)[C@@H](C)C1 ZINC000448030821 477118807 /nfs/dbraw/zinc/11/88/07/477118807.db2.gz SVXFJJSAXKJQLX-GBESFXJTSA-N 1 3 339.568 2.833 20 0 EFADHO C[NH+]1CCC2(CCCN(Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000376001311 477125345 /nfs/dbraw/zinc/12/53/45/477125345.db2.gz UJQXVYWBYSLGIX-UHFFFAOYSA-N 1 3 325.460 2.780 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423736230 477127371 /nfs/dbraw/zinc/12/73/71/477127371.db2.gz BGNZMWFFITVLEK-GOSISDBHSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)(C)[C@H](N)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423736230 477127378 /nfs/dbraw/zinc/12/73/78/477127378.db2.gz BGNZMWFFITVLEK-GOSISDBHSA-N 1 3 331.504 2.527 20 0 EFADHO [NH3+]C1(C(=O)N2CCCN(CCCc3ccccc3)CC2)CCCCC1 ZINC000423737082 477127548 /nfs/dbraw/zinc/12/75/48/477127548.db2.gz CNVYJGOKCOMISG-UHFFFAOYSA-N 1 3 343.515 2.815 20 0 EFADHO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000423741686 477129039 /nfs/dbraw/zinc/12/90/39/477129039.db2.gz HYXQUGXUUVWYLG-SJORKVTESA-N 1 3 337.895 2.618 20 0 EFADHO CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423768437 477137777 /nfs/dbraw/zinc/13/77/77/477137777.db2.gz XFOCEAVCDVSWCT-GOSISDBHSA-N 1 3 335.467 2.591 20 0 EFADHO CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](CN)c1ccc(F)cc1 ZINC000423768437 477137782 /nfs/dbraw/zinc/13/77/82/477137782.db2.gz XFOCEAVCDVSWCT-GOSISDBHSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423769901 477138747 /nfs/dbraw/zinc/13/87/47/477138747.db2.gz COLSAYQPLQXWAD-RTBURBONSA-N 1 3 343.515 2.889 20 0 EFADHO NC(=O)CC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411173808 477139245 /nfs/dbraw/zinc/13/92/45/477139245.db2.gz NWAGFCOJULFETB-UHFFFAOYSA-N 1 3 329.488 2.760 20 0 EFADHO C[C@H](CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423786935 477144699 /nfs/dbraw/zinc/14/46/99/477144699.db2.gz VUEGAZZBTGLPLL-MBOZVWFJSA-N 1 3 343.515 2.649 20 0 EFADHO Cc1cc(CN(C)C)cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000423790810 477146142 /nfs/dbraw/zinc/14/61/42/477146142.db2.gz UNGHLBKACSJTCC-OAQYLSRUSA-N 1 3 337.467 2.926 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453071209 477159450 /nfs/dbraw/zinc/15/94/50/477159450.db2.gz DEMVEKYOHFYCIU-ZCNNSNEGSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)NC(=O)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453071209 477159459 /nfs/dbraw/zinc/15/94/59/477159459.db2.gz DEMVEKYOHFYCIU-ZCNNSNEGSA-N 1 3 343.515 2.934 20 0 EFADHO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453097690 477166029 /nfs/dbraw/zinc/16/60/29/477166029.db2.gz UYFWDOKNHRVKAI-AITUJVMLSA-N 1 3 329.488 2.544 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748797 477166791 /nfs/dbraw/zinc/16/67/91/477166791.db2.gz SLXRQCFUUJPBSF-VQIMIIECSA-N 1 3 348.535 2.733 20 0 EFADHO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1=CCN(C)CC1 ZINC000366748797 477166798 /nfs/dbraw/zinc/16/67/98/477166798.db2.gz SLXRQCFUUJPBSF-VQIMIIECSA-N 1 3 348.535 2.733 20 0 EFADHO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453097693 477167238 /nfs/dbraw/zinc/16/72/38/477167238.db2.gz UYFWDOKNHRVKAI-KANFNMMFSA-N 1 3 329.488 2.544 20 0 EFADHO CCOCC[C@H](O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376097826 477174420 /nfs/dbraw/zinc/17/44/20/477174420.db2.gz ODLHKCRJIZJBDA-LEWJYISDSA-N 1 3 346.515 2.762 20 0 EFADHO CCOCC[C@H](O)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000376097826 477174424 /nfs/dbraw/zinc/17/44/24/477174424.db2.gz ODLHKCRJIZJBDA-LEWJYISDSA-N 1 3 346.515 2.762 20 0 EFADHO CC(C)N1CCN(c2cccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)c2)CC1 ZINC000423842865 477180379 /nfs/dbraw/zinc/18/03/79/477180379.db2.gz KJPIIRBRZWAYME-HXUWFJFHSA-N 1 3 344.503 2.688 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523461 477183617 /nfs/dbraw/zinc/18/36/17/477183617.db2.gz ZJGHGQQCYKVPOP-MISYRCLQSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCCC1 ZINC000448523461 477183624 /nfs/dbraw/zinc/18/36/24/477183624.db2.gz ZJGHGQQCYKVPOP-MISYRCLQSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423856860 477188984 /nfs/dbraw/zinc/18/89/84/477188984.db2.gz ZZBSUUXURZOPQM-NEWSRXKRSA-N 1 3 331.504 2.921 20 0 EFADHO CN(C)CCOCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453223010 477193776 /nfs/dbraw/zinc/19/37/76/477193776.db2.gz OTNKBAFKUKVEIA-QZTJIDSGSA-N 1 3 340.895 2.598 20 0 EFADHO C[C@@H]1C[N@H+](CCCNCc2ccc(F)c3cccnc23)CCCO1 ZINC000432355729 477202191 /nfs/dbraw/zinc/20/21/91/477202191.db2.gz FTQPHGRZXUUHIG-OAHLLOKOSA-N 1 3 331.435 2.964 20 0 EFADHO C[C@@H]1C[N@@H+](CCCNCc2ccc(F)c3cccnc23)CCCO1 ZINC000432355729 477202200 /nfs/dbraw/zinc/20/22/00/477202200.db2.gz FTQPHGRZXUUHIG-OAHLLOKOSA-N 1 3 331.435 2.964 20 0 EFADHO CC[NH+]1CCC(NC(=O)CNC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000411357423 477204464 /nfs/dbraw/zinc/20/44/64/477204464.db2.gz AQDTWTWCGPEWCK-UHFFFAOYSA-N 1 3 347.478 2.785 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)C2(N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000423899025 477206932 /nfs/dbraw/zinc/20/69/32/477206932.db2.gz ITYROHYWEAXLGL-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@H]1C[C@H](CCNC(=O)C2(N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423899025 477206938 /nfs/dbraw/zinc/20/69/38/477206938.db2.gz ITYROHYWEAXLGL-WMZOPIPTSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1 ZINC000453341405 477209505 /nfs/dbraw/zinc/20/95/05/477209505.db2.gz LMRXCXMEIKYIDL-HOTGVXAUSA-N 1 3 330.476 2.642 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000423904443 477210918 /nfs/dbraw/zinc/21/09/18/477210918.db2.gz OESZSQCKJKWTSD-SUMDDJOVSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000423904443 477210923 /nfs/dbraw/zinc/21/09/23/477210923.db2.gz OESZSQCKJKWTSD-SUMDDJOVSA-N 1 3 329.488 2.531 20 0 EFADHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453347860 477211212 /nfs/dbraw/zinc/21/12/12/477211212.db2.gz FYOPQSGXXORXFF-OOOWVJFSSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000453347860 477211220 /nfs/dbraw/zinc/21/12/20/477211220.db2.gz FYOPQSGXXORXFF-OOOWVJFSSA-N 1 3 334.508 2.699 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423908544 477212013 /nfs/dbraw/zinc/21/20/13/477212013.db2.gz SKLRWEUJNDBWJK-UUXHPUJUSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H](N)c1ccccc1 ZINC000423908544 477212020 /nfs/dbraw/zinc/21/20/20/477212020.db2.gz SKLRWEUJNDBWJK-UUXHPUJUSA-N 1 3 341.499 2.798 20 0 EFADHO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1cccc(OCCN(C)C)c1 ZINC000453358266 477212560 /nfs/dbraw/zinc/21/25/60/477212560.db2.gz SIHKXHNRGAUUEJ-HZPDHXFCSA-N 1 3 330.476 2.642 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCCN2)C[N@@H+]1Cc1ccccc1 ZINC000423910076 477213554 /nfs/dbraw/zinc/21/35/54/477213554.db2.gz UOLHKQNZGOOEAC-QRQLOZEOSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCCCN2)C[N@H+]1Cc1ccccc1 ZINC000423910076 477213559 /nfs/dbraw/zinc/21/35/59/477213559.db2.gz UOLHKQNZGOOEAC-QRQLOZEOSA-N 1 3 329.488 2.545 20 0 EFADHO CC(C)[NH+]1CCC(N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000371283769 477216911 /nfs/dbraw/zinc/21/69/11/477216911.db2.gz LVWZCIJGUVXWJS-WIYYLYMNSA-N 1 3 345.531 2.738 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2CCCC2(C)C)[C@H](C)C1 ZINC000453398224 477220875 /nfs/dbraw/zinc/22/08/75/477220875.db2.gz MPIJKQIUDXXQAR-MSOLQXFVSA-N 1 3 325.541 2.587 20 0 EFADHO Cc1cnc(CC[NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cn1 ZINC000453412717 477225373 /nfs/dbraw/zinc/22/53/73/477225373.db2.gz WIKRKYBXQZYHIP-HMXCVIKNSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000453412717 477225382 /nfs/dbraw/zinc/22/53/82/477225382.db2.gz WIKRKYBXQZYHIP-HMXCVIKNSA-N 1 3 336.483 2.828 20 0 EFADHO Cc1cnc(CCN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000453412717 477225390 /nfs/dbraw/zinc/22/53/90/477225390.db2.gz WIKRKYBXQZYHIP-HMXCVIKNSA-N 1 3 336.483 2.828 20 0 EFADHO C[C@@H]1COCCN(Cc2ccccc2C[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000371296959 477225565 /nfs/dbraw/zinc/22/55/65/477225565.db2.gz FOBCJRQWOPRYEI-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO C[C@@H]1COCCN(Cc2ccccc2C[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000371296959 477225568 /nfs/dbraw/zinc/22/55/68/477225568.db2.gz FOBCJRQWOPRYEI-ROUUACIJSA-N 1 3 332.488 2.623 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C(=O)NC ZINC000453415803 477226719 /nfs/dbraw/zinc/22/67/19/477226719.db2.gz UCFFAERYDWHYFN-ZGXWSNOMSA-N 1 3 343.515 2.791 20 0 EFADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000423945027 477227313 /nfs/dbraw/zinc/22/73/13/477227313.db2.gz AMABCESRYSDDTE-RDJZCZTQSA-N 1 3 335.467 2.527 20 0 EFADHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000423945023 477227931 /nfs/dbraw/zinc/22/79/31/477227931.db2.gz AMABCESRYSDDTE-DOTOQJQBSA-N 1 3 335.467 2.527 20 0 EFADHO O=C1CCCN1[C@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411422306 477229928 /nfs/dbraw/zinc/22/99/28/477229928.db2.gz LGVHCPVTIXBEFA-FQEVSTJZSA-N 1 3 341.499 2.869 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCC(=O)N1 ZINC000453425039 477229903 /nfs/dbraw/zinc/22/99/03/477229903.db2.gz NRPFOLQKJIIRDA-QEUVDIPISA-N 1 3 341.499 2.545 20 0 EFADHO COCC[N@H+](C)CCCC1CCN(CCc2cncs2)CC1 ZINC000411428655 477230838 /nfs/dbraw/zinc/23/08/38/477230838.db2.gz QERKFJCSNYNKSG-UHFFFAOYSA-N 1 3 325.522 2.756 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN(CCc2cncs2)CC1 ZINC000411428655 477230843 /nfs/dbraw/zinc/23/08/43/477230843.db2.gz QERKFJCSNYNKSG-UHFFFAOYSA-N 1 3 325.522 2.756 20 0 EFADHO CC[C@H](NCC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(OC)cc1 ZINC000411435358 477234669 /nfs/dbraw/zinc/23/46/69/477234669.db2.gz CMDUGCKGWCRKDU-IBGZPJMESA-N 1 3 347.503 2.725 20 0 EFADHO CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000366902999 477248135 /nfs/dbraw/zinc/24/81/35/477248135.db2.gz MCWRXSOBQKJHQA-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333046 477248439 /nfs/dbraw/zinc/24/84/39/477248439.db2.gz CAEDNFPERKUGSK-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333046 477248446 /nfs/dbraw/zinc/24/84/46/477248446.db2.gz CAEDNFPERKUGSK-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO C[C@H](C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000371333046 477248456 /nfs/dbraw/zinc/24/84/56/477248456.db2.gz CAEDNFPERKUGSK-XUWVNRHRSA-N 1 3 325.497 2.895 20 0 EFADHO CCN1CCC(NC(=O)C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)CC1 ZINC000411476068 477250309 /nfs/dbraw/zinc/25/03/09/477250309.db2.gz GBLQWIBWYXWXFY-LJQANCHMSA-N 1 3 349.494 2.583 20 0 EFADHO C[C@@H]1CCN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000423996978 477253782 /nfs/dbraw/zinc/25/37/82/477253782.db2.gz KUIAARGUGFZIKJ-MJGOQNOKSA-N 1 3 343.515 2.732 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424037834 477267570 /nfs/dbraw/zinc/26/75/70/477267570.db2.gz HOAQDXXNWVEYJV-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411553033 477273606 /nfs/dbraw/zinc/27/36/06/477273606.db2.gz HSUSNRQIJPZHJC-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411553033 477273611 /nfs/dbraw/zinc/27/36/11/477273611.db2.gz HSUSNRQIJPZHJC-SFHVURJKSA-N 1 3 329.488 2.744 20 0 EFADHO CCO[C@@H]1COCC[C@@H]1NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000411553158 477273920 /nfs/dbraw/zinc/27/39/20/477273920.db2.gz CDSNDQCATKEMRJ-VQTJNVASSA-N 1 3 332.488 2.956 20 0 EFADHO [NH3+][C@H]1Cc2ccccc2N(C(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000424069778 477281539 /nfs/dbraw/zinc/28/15/39/477281539.db2.gz CFEPKXBQVNJSNK-FQEVSTJZSA-N 1 3 349.478 2.815 20 0 EFADHO C[C@@H](O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000411577462 477282872 /nfs/dbraw/zinc/28/28/72/477282872.db2.gz ZGEQJWYJGIMCOY-RTBURBONSA-N 1 3 345.531 2.559 20 0 EFADHO COCCO[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411600317 477289976 /nfs/dbraw/zinc/28/99/76/477289976.db2.gz DSEMVSCVYIXYOT-HXUWFJFHSA-N 1 3 332.488 2.910 20 0 EFADHO CC[N@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000458161339 477295875 /nfs/dbraw/zinc/29/58/75/477295875.db2.gz XLPLMRJHHAIOMA-IBGZPJMESA-N 1 3 346.519 2.762 20 0 EFADHO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CCN(C(C)C)C2)c1 ZINC000458161339 477295883 /nfs/dbraw/zinc/29/58/83/477295883.db2.gz XLPLMRJHHAIOMA-IBGZPJMESA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000367043632 477312684 /nfs/dbraw/zinc/31/26/84/477312684.db2.gz RCYBZGLNJHIVPQ-HXUWFJFHSA-N 1 3 331.504 2.556 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000367043632 477312691 /nfs/dbraw/zinc/31/26/91/477312691.db2.gz RCYBZGLNJHIVPQ-HXUWFJFHSA-N 1 3 331.504 2.556 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000411667805 477319288 /nfs/dbraw/zinc/31/92/88/477319288.db2.gz WVWDYFIJHRXLAM-IBGZPJMESA-N 1 3 327.472 2.593 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000411667805 477319294 /nfs/dbraw/zinc/31/92/94/477319294.db2.gz WVWDYFIJHRXLAM-IBGZPJMESA-N 1 3 327.472 2.593 20 0 EFADHO CC(C)(CNC(=O)NC[C@@H]1CCCCN1C1CC1)[NH+]1CCCCC1 ZINC000433549164 477323915 /nfs/dbraw/zinc/32/39/15/477323915.db2.gz HBJYQULDXJOZSP-KRWDZBQOSA-N 1 3 336.524 2.567 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000416831280 477326675 /nfs/dbraw/zinc/32/66/75/477326675.db2.gz ASXLKVPEDAICML-BHIYHBOVSA-N 1 3 346.519 2.757 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NC(C)(C)C[NH3+])c2cccs2)CC1 ZINC000416831120 477327109 /nfs/dbraw/zinc/32/71/09/477327109.db2.gz HKDZFLLUSQIHCP-AWEZNQCLSA-N 1 3 338.521 2.558 20 0 EFADHO CCc1ccc([C@@H](CNC(=O)N[C@@H](C)CCCC[NH3+])N(C)C)cc1 ZINC000416830838 477327345 /nfs/dbraw/zinc/32/73/45/477327345.db2.gz APRNAOXOJMHLPX-MAUKXSAKSA-N 1 3 334.508 2.668 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000416831317 477327655 /nfs/dbraw/zinc/32/76/55/477327655.db2.gz AWNVGCGETOJLED-IEBWSBKVSA-N 1 3 346.519 2.840 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000416831319 477327744 /nfs/dbraw/zinc/32/77/44/477327744.db2.gz AWNVGCGETOJLED-PKOBYXMFSA-N 1 3 346.519 2.840 20 0 EFADHO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424214492 477331312 /nfs/dbraw/zinc/33/13/12/477331312.db2.gz CRAATSNEWWJYLJ-GBESFXJTSA-N 1 3 343.515 2.744 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000416838412 477331323 /nfs/dbraw/zinc/33/13/23/477331323.db2.gz JDJDAQMILPAIHZ-BHIYHBOVSA-N 1 3 346.519 2.981 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000416841405 477331876 /nfs/dbraw/zinc/33/18/76/477331876.db2.gz LYMVEFRBPCWLOM-LPHOPBHVSA-N 1 3 346.519 2.838 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000416841715 477332580 /nfs/dbraw/zinc/33/25/80/477332580.db2.gz MMXLJUCDOGEHKT-ZWKOTPCHSA-N 1 3 332.492 2.592 20 0 EFADHO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424217444 477333800 /nfs/dbraw/zinc/33/38/00/477333800.db2.gz LMRHLHXSJSLSND-IYWMVGAKSA-N 1 3 341.499 2.627 20 0 EFADHO C[C@@H](C[NH3+])N(C)C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000416842986 477334197 /nfs/dbraw/zinc/33/41/97/477334197.db2.gz OBSRALGHOZIVDZ-GJZGRUSLSA-N 1 3 338.521 2.510 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N(C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000416847653 477334947 /nfs/dbraw/zinc/33/49/47/477334947.db2.gz VPCAMTQQZMSYJD-KRWDZBQOSA-N 1 3 334.508 2.696 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416846809 477335373 /nfs/dbraw/zinc/33/53/73/477335373.db2.gz UNRWSIIWIBIBMB-NZSAHSFTSA-N 1 3 346.519 2.696 20 0 EFADHO CCN(CC)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccccc1 ZINC000416848450 477336640 /nfs/dbraw/zinc/33/66/40/477336640.db2.gz WRVLRAZGRGMTJQ-DAWZGUTISA-N 1 3 332.492 2.639 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NCCCC[NH3+])c2cccs2)CC1 ZINC000416858316 477339993 /nfs/dbraw/zinc/33/99/93/477339993.db2.gz YXFXIPYWFMIUEA-HNNXBMFYSA-N 1 3 338.521 2.559 20 0 EFADHO CN(CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[NH2+]CC1 ZINC000435622528 477347535 /nfs/dbraw/zinc/34/75/35/477347535.db2.gz RRKOPDXTXZXBAK-ZDUSSCGKSA-N 1 3 327.831 2.882 20 0 EFADHO C[C@H]1NCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1C ZINC000416884864 477353663 /nfs/dbraw/zinc/35/36/63/477353663.db2.gz DOOZVUHVMSYHSJ-SJORKVTESA-N 1 3 344.503 2.564 20 0 EFADHO C[C@H](NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424284676 477355184 /nfs/dbraw/zinc/35/51/84/477355184.db2.gz DNUXDORDVUWJOJ-GJZGRUSLSA-N 1 3 349.906 2.981 20 0 EFADHO CO[C@@H](C[NH+]1CCC(C)(CN2CCN(C)CC2)CC1)c1ccccc1 ZINC000367126358 477355903 /nfs/dbraw/zinc/35/59/03/477355903.db2.gz MFCIGDYNWSKLOF-FQEVSTJZSA-N 1 3 345.531 2.724 20 0 EFADHO Cc1ccccc1C[C@@H](C)NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289051 477357350 /nfs/dbraw/zinc/35/73/50/477357350.db2.gz LIKTWFQLXLBYNK-QZTJIDSGSA-N 1 3 343.515 2.506 20 0 EFADHO CC(C)N(C(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424292894 477358089 /nfs/dbraw/zinc/35/80/89/477358089.db2.gz OPXSKMVIHGHMOM-KRWDZBQOSA-N 1 3 329.488 2.892 20 0 EFADHO CCc1ccc(CN(C)C(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424295938 477360993 /nfs/dbraw/zinc/36/09/93/477360993.db2.gz RRQFZAYPUWRFLM-KRWDZBQOSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(C)c1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302542 477363531 /nfs/dbraw/zinc/36/35/31/477363531.db2.gz ZVNXMONBTIXWJZ-INIZCTEOSA-N 1 3 329.488 2.960 20 0 EFADHO C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H](C)N1CCO ZINC000411781499 477364648 /nfs/dbraw/zinc/36/46/48/477364648.db2.gz CICKLNNLTWITLC-KDURUIRLSA-N 1 3 345.531 2.559 20 0 EFADHO CCOC(=O)CC(C)(C)CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000376504777 477367918 /nfs/dbraw/zinc/36/79/18/477367918.db2.gz FGZHOAOBLKUDNR-IXDOHACOSA-N 1 3 340.508 2.539 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(I)cc1 ZINC000424333264 477373712 /nfs/dbraw/zinc/37/37/12/477373712.db2.gz MACCWYCCRDFTQC-CHWSQXEVSA-N 1 3 330.213 2.651 20 0 EFADHO CC(C)N1CCc2nc(CN3CC4(C[C@H]3C)CC[NH2+]CC4)sc2C1 ZINC000424382884 477384813 /nfs/dbraw/zinc/38/48/13/477384813.db2.gz TVMSFORDBHPPJM-OAHLLOKOSA-N 1 3 348.560 2.874 20 0 EFADHO COc1ccc(-n2cc(CN3CCC(C[NH+](C)C)CC3)cn2)cc1 ZINC000449010687 477386682 /nfs/dbraw/zinc/38/66/82/477386682.db2.gz MQNRWTRGRLPURF-UHFFFAOYSA-N 1 3 328.460 2.655 20 0 EFADHO C[C@@H](CCCC[NH3+])NC(=O)NC1CCN(CCc2ccccc2)CC1 ZINC000416975428 477400296 /nfs/dbraw/zinc/40/02/96/477400296.db2.gz MSUANGXPLGCFDY-KRWDZBQOSA-N 1 3 346.519 2.510 20 0 EFADHO Cc1cc(CN)cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000424425218 477402362 /nfs/dbraw/zinc/40/23/62/477402362.db2.gz JJESLSHDINONCX-MRXNPFEDSA-N 1 3 330.476 2.793 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NCC([NH3+])(CC)CC)c1ccsc1 ZINC000417003428 477416812 /nfs/dbraw/zinc/41/68/12/477416812.db2.gz HLNHBWRYFIUVIT-HNNXBMFYSA-N 1 3 340.537 2.948 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccsc1 ZINC000417006602 477419513 /nfs/dbraw/zinc/41/95/13/477419513.db2.gz JUSBOOQGRRBEOM-ZFWWWQNUSA-N 1 3 326.510 2.558 20 0 EFADHO C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)N1CCC[C@@H](C)C1 ZINC000417008216 477419531 /nfs/dbraw/zinc/41/95/31/477419531.db2.gz IKYIJEDXKPRWJS-MSOLQXFVSA-N 1 3 346.519 2.667 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccsc1 ZINC000417011313 477421253 /nfs/dbraw/zinc/42/12/53/477421253.db2.gz RMCGPSKZLBYCGF-IJEWVQPXSA-N 1 3 338.521 2.510 20 0 EFADHO C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)N1CCC[C@@H](C)C1 ZINC000417025179 477429215 /nfs/dbraw/zinc/42/92/15/477429215.db2.gz XUDJVWVZHSCEIL-ZHALLVOQSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)N1CCC[C@@H](C)C1 ZINC000417025177 477430161 /nfs/dbraw/zinc/43/01/61/477430161.db2.gz XUDJVWVZHSCEIL-AOIWGVFYSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@@H]1CSC[C@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449087700 477431494 /nfs/dbraw/zinc/43/14/94/477431494.db2.gz GNMCLNXDYPOAMV-UYAOXDASSA-N 1 3 347.572 2.926 20 0 EFADHO C[C@H]1CSC[C@@H]1[NH2+]CCCCN1CCN(Cc2ccccc2)CC1 ZINC000449087698 477431983 /nfs/dbraw/zinc/43/19/83/477431983.db2.gz GNMCLNXDYPOAMV-ICSRJNTNSA-N 1 3 347.572 2.926 20 0 EFADHO [NH3+]C[C@@H](NC(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCCC1 ZINC000417041018 477437683 /nfs/dbraw/zinc/43/76/83/477437683.db2.gz WBWMISOYHXOPMW-RTBURBONSA-N 1 3 344.503 2.640 20 0 EFADHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000371682007 477441913 /nfs/dbraw/zinc/44/19/13/477441913.db2.gz VNWYGEQOAVFYJY-AABGKKOBSA-N 1 3 341.499 2.606 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105868 477442616 /nfs/dbraw/zinc/44/26/16/477442616.db2.gz JOMDAJVMHNWDII-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105868 477442624 /nfs/dbraw/zinc/44/26/24/477442624.db2.gz JOMDAJVMHNWDII-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CC[N@H+]1CCC[C@H](CNC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449105868 477442629 /nfs/dbraw/zinc/44/26/29/477442629.db2.gz JOMDAJVMHNWDII-HZPDHXFCSA-N 1 3 338.517 2.515 20 0 EFADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000417225840 477449339 /nfs/dbraw/zinc/44/93/39/477449339.db2.gz YQXPQUBGFYGSMK-BHIYHBOVSA-N 1 3 346.519 2.837 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)CCN1Cc1ccccc1 ZINC000458497163 477450800 /nfs/dbraw/zinc/45/08/00/477450800.db2.gz NRLDKHLGFYMOBU-AEFFLSMTSA-N 1 3 346.519 2.679 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cc4c(cccc4F)[nH]3)CC2)CC1 ZINC000436279317 477454651 /nfs/dbraw/zinc/45/46/51/477454651.db2.gz HFEVZGJCJSMKGR-UHFFFAOYSA-N 1 3 344.478 2.955 20 0 EFADHO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3([S@](C)=O)CCC3)CC2)C1 ZINC000436298499 477457719 /nfs/dbraw/zinc/45/77/19/477457719.db2.gz ZYFHLUBKORNKBF-JLDZCNIISA-N 1 3 326.550 2.920 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417676754 477461035 /nfs/dbraw/zinc/46/10/35/477461035.db2.gz DUIXUTVONKUNTI-VQIMIIECSA-N 1 3 344.503 2.735 20 0 EFADHO C[C@H](C[NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172465 477470383 /nfs/dbraw/zinc/47/03/83/477470383.db2.gz MGSNVJXMVCDKGJ-DJIMGWMZSA-N 1 3 338.517 2.656 20 0 EFADHO C[C@H](CN[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449172465 477470388 /nfs/dbraw/zinc/47/03/88/477470388.db2.gz MGSNVJXMVCDKGJ-DJIMGWMZSA-N 1 3 338.517 2.656 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000418381086 477472707 /nfs/dbraw/zinc/47/27/07/477472707.db2.gz KUJGIZAZZBXZCZ-QXAKKESOSA-N 1 3 346.519 2.664 20 0 EFADHO CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000418381084 477472943 /nfs/dbraw/zinc/47/29/43/477472943.db2.gz KUJGIZAZZBXZCZ-NZSAHSFTSA-N 1 3 346.519 2.664 20 0 EFADHO CSCC[C@@H](CO)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449182597 477473909 /nfs/dbraw/zinc/47/39/09/477473909.db2.gz BRHQZGHCCDEXKZ-APWZRJJASA-N 1 3 336.545 2.786 20 0 EFADHO CCn1nnc(C)c1CNCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449207582 477486940 /nfs/dbraw/zinc/48/69/40/477486940.db2.gz CDMMMSPDXSCIOC-APWZRJJASA-N 1 3 341.503 2.997 20 0 EFADHO CCn1nnc(C)c1CNCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449207582 477486949 /nfs/dbraw/zinc/48/69/49/477486949.db2.gz CDMMMSPDXSCIOC-APWZRJJASA-N 1 3 341.503 2.997 20 0 EFADHO C[C@H](CC(C)(C)C)[NH2+][C@@H](Cc1ccccc1)C(=O)NCCN(C)C ZINC000449217302 477492765 /nfs/dbraw/zinc/49/27/65/477492765.db2.gz YFDKEYZAJKUULH-AEFFLSMTSA-N 1 3 333.520 2.690 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cn(C)nc1-c1ccc(F)cc1 ZINC000449219826 477492977 /nfs/dbraw/zinc/49/29/77/477492977.db2.gz FJQMQTLBWFNGCY-SFHVURJKSA-N 1 3 348.466 2.673 20 0 EFADHO CO[C@@H](CC(C)C)C[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419197132 477495803 /nfs/dbraw/zinc/49/58/03/477495803.db2.gz XPTPRYGGAFDBNT-SCTDSRPQSA-N 1 3 326.525 2.869 20 0 EFADHO CN(C)C[C@H]1CCc2ccccc2N1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000436718055 477568534 /nfs/dbraw/zinc/56/85/34/477568534.db2.gz CYZMVIOVDONRDN-LJQANCHMSA-N 1 3 341.499 2.770 20 0 EFADHO C[C@H](NC(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000458788418 477597332 /nfs/dbraw/zinc/59/73/32/477597332.db2.gz YESADCOOFNBFTC-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000458788418 477597335 /nfs/dbraw/zinc/59/73/35/477597335.db2.gz YESADCOOFNBFTC-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO CC[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)N(C)C ZINC000413269672 477599998 /nfs/dbraw/zinc/59/99/98/477599998.db2.gz SVDNYNHNASRITJ-MRXNPFEDSA-N 1 3 325.884 2.570 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)CC(C)C ZINC000367614173 477601592 /nfs/dbraw/zinc/60/15/92/477601592.db2.gz HOXLRJKOWMKMOG-NXOAAHMSSA-N 1 3 325.497 2.610 20 0 EFADHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CC(C)C ZINC000367614173 477601597 /nfs/dbraw/zinc/60/15/97/477601597.db2.gz HOXLRJKOWMKMOG-NXOAAHMSSA-N 1 3 325.497 2.610 20 0 EFADHO CN1CCC[N@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367616833 477602709 /nfs/dbraw/zinc/60/27/09/477602709.db2.gz MGPRLROMQVLIKI-SFHVURJKSA-N 1 3 333.524 2.648 20 0 EFADHO CN1CCC[N@@H+](CCCN[C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000367616833 477602713 /nfs/dbraw/zinc/60/27/13/477602713.db2.gz MGPRLROMQVLIKI-SFHVURJKSA-N 1 3 333.524 2.648 20 0 EFADHO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@@H]2C1 ZINC000425063767 477625861 /nfs/dbraw/zinc/62/58/61/477625861.db2.gz GKBDJVAHXIQGNG-VQTJNVASSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@@H]2C1 ZINC000425063767 477625869 /nfs/dbraw/zinc/62/58/69/477625869.db2.gz GKBDJVAHXIQGNG-VQTJNVASSA-N 1 3 341.499 2.839 20 0 EFADHO C[C@H]1CN(CCc2ccc(Cl)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000450637872 477664053 /nfs/dbraw/zinc/66/40/53/477664053.db2.gz BFLPIHZKWSZHQP-LPHOPBHVSA-N 1 3 335.923 2.840 20 0 EFADHO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304969 477677522 /nfs/dbraw/zinc/67/75/22/477677522.db2.gz PBFOYOHPDFYMRS-HGWQEYRNSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000420304969 477677526 /nfs/dbraw/zinc/67/75/26/477677526.db2.gz PBFOYOHPDFYMRS-HGWQEYRNSA-N 1 3 342.458 2.934 20 0 EFADHO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304969 477677533 /nfs/dbraw/zinc/67/75/33/477677533.db2.gz PBFOYOHPDFYMRS-HGWQEYRNSA-N 1 3 342.458 2.934 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420305600 477678464 /nfs/dbraw/zinc/67/84/64/477678464.db2.gz PPGIRTHJTTZQRW-CQSZACIVSA-N 1 3 325.859 2.596 20 0 EFADHO Fc1cccc(Cl)c1CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420305596 477678532 /nfs/dbraw/zinc/67/85/32/477678532.db2.gz PPGIRTHJTTZQRW-AWEZNQCLSA-N 1 3 325.859 2.596 20 0 EFADHO Fc1ccc(CN2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000420308587 477679328 /nfs/dbraw/zinc/67/93/28/477679328.db2.gz CVFUVLHXOSLNBP-HNNXBMFYSA-N 1 3 339.886 2.986 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+](C)CCN(C)c2ccccc2)cc1 ZINC000420307880 477679658 /nfs/dbraw/zinc/67/96/58/477679658.db2.gz CAXWVYIEUOFHDP-GOSISDBHSA-N 1 3 327.472 2.806 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+](C)CCN(C)c2ccccc2)cc1 ZINC000420307880 477679665 /nfs/dbraw/zinc/67/96/65/477679665.db2.gz CAXWVYIEUOFHDP-GOSISDBHSA-N 1 3 327.472 2.806 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307639 477679777 /nfs/dbraw/zinc/67/97/77/477679777.db2.gz BWYYVJLNUNDFKM-AEFFLSMTSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307639 477679783 /nfs/dbraw/zinc/67/97/83/477679783.db2.gz BWYYVJLNUNDFKM-AEFFLSMTSA-N 1 3 340.471 2.567 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000420307639 477679789 /nfs/dbraw/zinc/67/97/89/477679789.db2.gz BWYYVJLNUNDFKM-AEFFLSMTSA-N 1 3 340.471 2.567 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420309894 477682077 /nfs/dbraw/zinc/68/20/77/477682077.db2.gz UISHEQYJFHFKEH-FKBYEOEOSA-N 1 3 338.495 2.872 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000420309894 477682082 /nfs/dbraw/zinc/68/20/82/477682082.db2.gz UISHEQYJFHFKEH-FKBYEOEOSA-N 1 3 338.495 2.872 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H](Cc2ccccc2)C1 ZINC000420309894 477682088 /nfs/dbraw/zinc/68/20/88/477682088.db2.gz UISHEQYJFHFKEH-FKBYEOEOSA-N 1 3 338.495 2.872 20 0 EFADHO Cc1ccc2oc(N3CCN(CC[C@@H]4CCC[NH2+]C4)CC3)nc2c1 ZINC000420310375 477682613 /nfs/dbraw/zinc/68/26/13/477682613.db2.gz FYTKPFFWNRVIIJ-INIZCTEOSA-N 1 3 328.460 2.648 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000420313346 477684876 /nfs/dbraw/zinc/68/48/76/477684876.db2.gz IXCBUHUVDKMJNU-ZWKOTPCHSA-N 1 3 342.487 2.834 20 0 EFADHO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000420313346 477684882 /nfs/dbraw/zinc/68/48/82/477684882.db2.gz IXCBUHUVDKMJNU-ZWKOTPCHSA-N 1 3 342.487 2.834 20 0 EFADHO CN(CC[C@H]1CCC[NH2+]C1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000420317971 477687646 /nfs/dbraw/zinc/68/76/46/477687646.db2.gz NNARWABFOUMODK-BEFAXECRSA-N 1 3 330.451 2.970 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000420320016 477691243 /nfs/dbraw/zinc/69/12/43/477691243.db2.gz QAERRBIWXDBQJO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000420320016 477691248 /nfs/dbraw/zinc/69/12/48/477691248.db2.gz QAERRBIWXDBQJO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000420320016 477691254 /nfs/dbraw/zinc/69/12/54/477691254.db2.gz QAERRBIWXDBQJO-ACRUOGEOSA-N 1 3 342.458 2.764 20 0 EFADHO CCn1cc(C2CCN(C[C@H](C[NH3+])c3ccc(OC)cc3)CC2)cn1 ZINC000420324945 477694717 /nfs/dbraw/zinc/69/47/17/477694717.db2.gz VXJRWRCUCZNKLC-SFHVURJKSA-N 1 3 342.487 2.834 20 0 EFADHO CCn1cc(C2CC[NH+](C[C@H](CN)c3ccc(OC)cc3)CC2)cn1 ZINC000420324945 477694722 /nfs/dbraw/zinc/69/47/22/477694722.db2.gz VXJRWRCUCZNKLC-SFHVURJKSA-N 1 3 342.487 2.834 20 0 EFADHO CN(CC[C@@H]1CC[NH2+]C1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000420324973 477694857 /nfs/dbraw/zinc/69/48/57/477694857.db2.gz VWELVXOOVIBYLZ-HNHYXYPQSA-N 1 3 329.271 2.883 20 0 EFADHO CSc1ccc(NC(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420323983 477695037 /nfs/dbraw/zinc/69/50/37/477695037.db2.gz AJBHKBYJBFNTFD-SOUVJXGZSA-N 1 3 333.501 2.667 20 0 EFADHO Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420327999 477695808 /nfs/dbraw/zinc/69/58/08/477695808.db2.gz MBUUMMFUOIPUFD-RCCFBDPRSA-N 1 3 329.488 2.952 20 0 EFADHO O=C(CN1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420329485 477698990 /nfs/dbraw/zinc/69/89/90/477698990.db2.gz OJWHRVNRNOAIAU-ZWKOTPCHSA-N 1 3 341.499 2.504 20 0 EFADHO O=C(c1ccc(Cl)cc1)N1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420328359 477699293 /nfs/dbraw/zinc/69/92/93/477699293.db2.gz ZFEPIVLDIBGDRB-MRXNPFEDSA-N 1 3 349.906 2.878 20 0 EFADHO C[C@H](C(=O)N1CCCc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330175 477699675 /nfs/dbraw/zinc/69/96/75/477699675.db2.gz AHPCDOWFQGEPMM-NZSAHSFTSA-N 1 3 341.499 2.676 20 0 EFADHO CC(C)CNC(=O)c1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420330888 477701272 /nfs/dbraw/zinc/70/12/72/477701272.db2.gz IIUTUXJHIKKIOA-KDURUIRLSA-N 1 3 329.488 2.504 20 0 EFADHO O=C1[C@H](N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420332557 477703128 /nfs/dbraw/zinc/70/31/28/477703128.db2.gz RYDJOSVFEUEKLH-GPMSIDNRSA-N 1 3 345.462 2.643 20 0 EFADHO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1F ZINC000420337381 477707777 /nfs/dbraw/zinc/70/77/77/477707777.db2.gz JYOXQNQWDWWTJQ-ARFHVFGLSA-N 1 3 333.451 2.783 20 0 EFADHO C[C@@H]1CCc2ccccc2N1C(=O)CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340032 477708740 /nfs/dbraw/zinc/70/87/40/477708740.db2.gz MJZKWIPCWASPAA-QRQLOZEOSA-N 1 3 341.499 2.676 20 0 EFADHO CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341195 477710562 /nfs/dbraw/zinc/71/05/62/477710562.db2.gz OBGUTEBQANIJIP-WOJBJXKFSA-N 1 3 343.515 2.745 20 0 EFADHO CC(=O)c1ccc(NC(=O)CCN2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420345328 477712545 /nfs/dbraw/zinc/71/25/45/477712545.db2.gz VVSFCIYUWBDFCX-IBGZPJMESA-N 1 3 343.471 2.682 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C)CC1)CC(C)C ZINC000459041191 477712872 /nfs/dbraw/zinc/71/28/72/477712872.db2.gz NKWKMWYXFHJEGU-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)N(C)C)CC1)CC(C)C ZINC000459041191 477712878 /nfs/dbraw/zinc/71/28/78/477712878.db2.gz NKWKMWYXFHJEGU-KRWDZBQOSA-N 1 3 340.556 2.726 20 0 EFADHO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345647 477713451 /nfs/dbraw/zinc/71/34/51/477713451.db2.gz WFVUJJOVOBJYND-KXBFYZLASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345420 477714023 /nfs/dbraw/zinc/71/40/23/477714023.db2.gz WFVUJJOVOBJYND-DNVCBOLYSA-N 1 3 347.478 2.637 20 0 EFADHO CCc1cccc(CC)c1NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347674 477715671 /nfs/dbraw/zinc/71/56/71/477715671.db2.gz ZBBYFHRNCJRROL-HDICACEKSA-N 1 3 329.488 2.681 20 0 EFADHO FC(F)(F)c1ccc(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420353032 477719655 /nfs/dbraw/zinc/71/96/55/477719655.db2.gz BFJQFXUNJAGYNW-CQSZACIVSA-N 1 3 327.394 2.827 20 0 EFADHO CC1(C)CNCC[C@H]1[NH2+]CCOc1ccccc1Br ZINC000420359202 477719812 /nfs/dbraw/zinc/71/98/12/477719812.db2.gz JNOKPKKLIQWTPO-CQSZACIVSA-N 1 3 327.266 2.806 20 0 EFADHO CCOc1ccccc1NC(=O)CCN[C@@H](C[NH3+])C1CCCCC1 ZINC000420361607 477721423 /nfs/dbraw/zinc/72/14/23/477721423.db2.gz IDEMWHRVALIEQW-KRWDZBQOSA-N 1 3 333.476 2.911 20 0 EFADHO CC[C@@H]([NH2+]C[C@H](O)[C@@H](N)Cc1ccccc1)c1ccc(OC)cc1 ZINC000420377167 477733524 /nfs/dbraw/zinc/73/35/24/477733524.db2.gz RVBYCSHMQSWJNJ-ZCNNSNEGSA-N 1 3 328.456 2.667 20 0 EFADHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc(Cl)cc3)CC2)C1 ZINC000420379558 477735412 /nfs/dbraw/zinc/73/54/12/477735412.db2.gz BCQSCUKHMJNLIX-AEFFLSMTSA-N 1 3 338.879 2.937 20 0 EFADHO Cc1cccc(C)c1OCCN1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420386628 477738960 /nfs/dbraw/zinc/73/89/60/477738960.db2.gz IYWHDSMTXLJNQT-RBUKOAKNSA-N 1 3 332.488 2.901 20 0 EFADHO Cc1ccc(C)c(OCCN2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000420390240 477743074 /nfs/dbraw/zinc/74/30/74/477743074.db2.gz ZCPBGNMDLKRRAE-QUCCMNQESA-N 1 3 332.488 2.901 20 0 EFADHO CCCN(CCN1CCCC1)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459097777 477743654 /nfs/dbraw/zinc/74/36/54/477743654.db2.gz IXLNHRMHQKOAKJ-UHFFFAOYSA-N 1 3 336.524 2.521 20 0 EFADHO C[C@@H]1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000420392492 477743860 /nfs/dbraw/zinc/74/38/60/477743860.db2.gz BPUVBNPGSQAERK-TZMCWYRMSA-N 1 3 334.851 2.849 20 0 EFADHO O=C(CCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cc(F)cc(F)c1 ZINC000420392688 477744868 /nfs/dbraw/zinc/74/48/68/477744868.db2.gz JDAIBYDZZNTVIS-DYVFJYSZSA-N 1 3 337.414 2.757 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCN1C ZINC000437764676 477749107 /nfs/dbraw/zinc/74/91/07/477749107.db2.gz MKVOKBQHTXAUAZ-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCN1C ZINC000437764676 477749113 /nfs/dbraw/zinc/74/91/13/477749113.db2.gz MKVOKBQHTXAUAZ-SOLBZPMBSA-N 1 3 336.524 2.565 20 0 EFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000437771188 477751266 /nfs/dbraw/zinc/75/12/66/477751266.db2.gz IAUSMEVBMRNAGM-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437771188 477751271 /nfs/dbraw/zinc/75/12/71/477751271.db2.gz IAUSMEVBMRNAGM-SFHVURJKSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800532 477757157 /nfs/dbraw/zinc/75/71/57/477757157.db2.gz MYSMOSTVSUGAHB-CRAIPNDOSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)N(C)C1CC1 ZINC000437800532 477757162 /nfs/dbraw/zinc/75/71/62/477757162.db2.gz MYSMOSTVSUGAHB-CRAIPNDOSA-N 1 3 336.524 2.565 20 0 EFADHO Cc1cccc(C)c1OCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372334672 477760155 /nfs/dbraw/zinc/76/01/55/477760155.db2.gz WTLUEUQFYOAHIR-WOJBJXKFSA-N 1 3 345.531 2.640 20 0 EFADHO Cc1cccc(C)c1OCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000372334672 477760158 /nfs/dbraw/zinc/76/01/58/477760158.db2.gz WTLUEUQFYOAHIR-WOJBJXKFSA-N 1 3 345.531 2.640 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)CC1CC1 ZINC000426948129 477761275 /nfs/dbraw/zinc/76/12/75/477761275.db2.gz KHVAOQCQAUDXCX-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1)CC1CC1 ZINC000426948129 477761285 /nfs/dbraw/zinc/76/12/85/477761285.db2.gz KHVAOQCQAUDXCX-FQEVSTJZSA-N 1 3 347.547 2.974 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455858275 477768228 /nfs/dbraw/zinc/76/82/28/477768228.db2.gz PGPDZRKUAGILKV-SFHVURJKSA-N 1 3 330.476 2.793 20 0 EFADHO CCCCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(C(C)C)CC2)C1(C)C ZINC000450971635 477780037 /nfs/dbraw/zinc/78/00/37/477780037.db2.gz PARCGKGBYDNIAL-RTBURBONSA-N 1 3 339.568 2.976 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@H+](CC)C[C@H](C)O)c1)C[C@H](C)O ZINC000450975394 477781323 /nfs/dbraw/zinc/78/13/23/477781323.db2.gz AIXRVWUEFRMRMY-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO CCN(Cc1cc(Cl)cc(C[N@@H+](CC)C[C@H](C)O)c1)C[C@H](C)O ZINC000450975394 477781331 /nfs/dbraw/zinc/78/13/31/477781331.db2.gz AIXRVWUEFRMRMY-GJZGRUSLSA-N 1 3 342.911 2.745 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCN1C ZINC000455914236 477783658 /nfs/dbraw/zinc/78/36/58/477783658.db2.gz JXJXYNVATJPWGB-MZMPZRCHSA-N 1 3 330.476 2.840 20 0 EFADHO c1cn2c(n1)C[C@@H]([NH2+][C@H]1CC[C@H]3CN(Cc4ccccc4)C[C@H]31)CC2 ZINC000427883006 477784001 /nfs/dbraw/zinc/78/40/01/477784001.db2.gz BCKLKCYBOYEDBM-HAGHYFMRSA-N 1 3 336.483 2.698 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCN4CCC[C@H]4C3)ccc21 ZINC000455925445 477785693 /nfs/dbraw/zinc/78/56/93/477785693.db2.gz NBBRVBPSGRZAJO-WMZOPIPTSA-N 1 3 328.460 2.547 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)NCCN3CCCCC3)ccc21 ZINC000455922536 477785750 /nfs/dbraw/zinc/78/57/50/477785750.db2.gz MFASCTDJYPJUMK-SFHVURJKSA-N 1 3 330.476 2.843 20 0 EFADHO C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@H](N4CC=CC4)C3)ccc21 ZINC000455936472 477787671 /nfs/dbraw/zinc/78/76/71/477787671.db2.gz RYNLBXZBYBBARQ-HKUYNNGSSA-N 1 3 340.471 2.714 20 0 EFADHO CN(CCN1CCCC1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455939824 477788867 /nfs/dbraw/zinc/78/88/67/477788867.db2.gz TUIOQXWMOQPZCT-SFHVURJKSA-N 1 3 330.476 2.795 20 0 EFADHO c1ccc(N2CCN(CCCC[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000438071165 477791473 /nfs/dbraw/zinc/79/14/73/477791473.db2.gz HGNIAQZKAZKOJF-IBGZPJMESA-N 1 3 331.504 2.605 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000420874021 477797067 /nfs/dbraw/zinc/79/70/67/477797067.db2.gz YHMPJUCGLZKAOW-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CN(C[C@H]1CCCN1C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000420874021 477797072 /nfs/dbraw/zinc/79/70/72/477797072.db2.gz YHMPJUCGLZKAOW-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(CCN1CCN(CC)CC1)Cc1ccc(C(C)=O)cc1 ZINC000451036781 477797767 /nfs/dbraw/zinc/79/77/67/477797767.db2.gz MIMCLGRSNOTPFQ-UHFFFAOYSA-N 1 3 331.504 2.739 20 0 EFADHO CCCN(CCN1CC[NH+](CC)CC1)Cc1ccc(C(C)=O)cc1 ZINC000451036781 477797771 /nfs/dbraw/zinc/79/77/71/477797771.db2.gz MIMCLGRSNOTPFQ-UHFFFAOYSA-N 1 3 331.504 2.739 20 0 EFADHO CCC[N@H+](CCN1CCN(CC)CC1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000451035353 477798114 /nfs/dbraw/zinc/79/81/14/477798114.db2.gz GRCOKXJDPNIQLB-PZJWPPBQSA-N 1 3 347.547 2.501 20 0 EFADHO CCC[N@@H+](CCN1CCN(CC)CC1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000451035353 477798122 /nfs/dbraw/zinc/79/81/22/477798122.db2.gz GRCOKXJDPNIQLB-PZJWPPBQSA-N 1 3 347.547 2.501 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348876 477799651 /nfs/dbraw/zinc/79/96/51/477799651.db2.gz OMXCQGBKYCAXMM-ZACQAIPSSA-N 1 3 337.508 2.802 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000368348876 477799655 /nfs/dbraw/zinc/79/96/55/477799655.db2.gz OMXCQGBKYCAXMM-ZACQAIPSSA-N 1 3 337.508 2.802 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914884 477814066 /nfs/dbraw/zinc/81/40/66/477814066.db2.gz KTOARWUSOJIHLL-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914884 477814070 /nfs/dbraw/zinc/81/40/70/477814070.db2.gz KTOARWUSOJIHLL-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914884 477814074 /nfs/dbraw/zinc/81/40/74/477814074.db2.gz KTOARWUSOJIHLL-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CN3CCOCC3)cc2)C[C@@H]1C ZINC000420914884 477814077 /nfs/dbraw/zinc/81/40/77/477814077.db2.gz KTOARWUSOJIHLL-GHTZIAJQSA-N 1 3 345.531 2.823 20 0 EFADHO CCN1CC[C@H]([N@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928626 477826873 /nfs/dbraw/zinc/82/68/73/477826873.db2.gz BXDZYAXBJYEIGB-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CCN1CC[C@H]([N@@H+](C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928626 477826880 /nfs/dbraw/zinc/82/68/80/477826880.db2.gz BXDZYAXBJYEIGB-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928626 477826885 /nfs/dbraw/zinc/82/68/85/477826885.db2.gz BXDZYAXBJYEIGB-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CC[N@H+]1CC[C@H](N(C)Cc2cccc(CN3CCOCC3)c2)[C@H](C)C1 ZINC000420928626 477826891 /nfs/dbraw/zinc/82/68/91/477826891.db2.gz BXDZYAXBJYEIGB-NQIIRXRSSA-N 1 3 345.531 2.681 20 0 EFADHO CC[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000515644576 477849703 /nfs/dbraw/zinc/84/97/03/477849703.db2.gz APWQIOBOSPKIRU-SXLOBPIMSA-N 1 3 343.515 2.847 20 0 EFADHO C[C@H]([NH2+]Cc1ccccc1CN1CCC(O)CC1)[C@]1(C)CCCO1 ZINC000428246537 477851516 /nfs/dbraw/zinc/85/15/16/477851516.db2.gz OBYNCDAQNUFRTG-JXFKEZNVSA-N 1 3 332.488 2.691 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)[C@@]1(C)CCCO1 ZINC000428247635 477852331 /nfs/dbraw/zinc/85/23/31/477852331.db2.gz QYLGSUCVLKLECC-OXQOHEQNSA-N 1 3 332.488 2.691 20 0 EFADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000558392589 477859655 /nfs/dbraw/zinc/85/96/55/477859655.db2.gz DCVFEQLCXRBSIR-UHFFFAOYSA-N 1 3 336.476 2.962 20 0 EFADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1O ZINC000558392589 477859661 /nfs/dbraw/zinc/85/96/61/477859661.db2.gz DCVFEQLCXRBSIR-UHFFFAOYSA-N 1 3 336.476 2.962 20 0 EFADHO C[NH+](C)C1(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CCC1 ZINC000438533823 477860616 /nfs/dbraw/zinc/86/06/16/477860616.db2.gz MIFPEXNBTWRMPO-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438551550 477861776 /nfs/dbraw/zinc/86/17/76/477861776.db2.gz FCYYZTBAMXHAJO-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000438551550 477861788 /nfs/dbraw/zinc/86/17/88/477861788.db2.gz FCYYZTBAMXHAJO-ZIFCJYIRSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000515837888 477865958 /nfs/dbraw/zinc/86/59/58/477865958.db2.gz HFRVJRVNUQJOJU-PKOBYXMFSA-N 1 3 331.504 2.717 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](N)Cc1ccccc1 ZINC000515837888 477865965 /nfs/dbraw/zinc/86/59/65/477865965.db2.gz HFRVJRVNUQJOJU-PKOBYXMFSA-N 1 3 331.504 2.717 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000451189950 477866924 /nfs/dbraw/zinc/86/69/24/477866924.db2.gz SKPNCHVRDSDAHB-HLIPFELVSA-N 1 3 343.515 2.853 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578079 477867832 /nfs/dbraw/zinc/86/78/32/477867832.db2.gz WNHJOUKHRPLRAX-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CN(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccccc1 ZINC000438578079 477867839 /nfs/dbraw/zinc/86/78/39/477867839.db2.gz WNHJOUKHRPLRAX-VQTJNVASSA-N 1 3 343.515 2.683 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3nc(C)c(C)s3)CC2)CC1 ZINC000420976857 477871090 /nfs/dbraw/zinc/87/10/90/477871090.db2.gz HIIUSKBQIQSIFG-UHFFFAOYSA-N 1 3 336.549 2.752 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3nc(C)c(C)s3)CC2)CC1 ZINC000420976857 477871099 /nfs/dbraw/zinc/87/10/99/477871099.db2.gz HIIUSKBQIQSIFG-UHFFFAOYSA-N 1 3 336.549 2.752 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451201725 477875231 /nfs/dbraw/zinc/87/52/31/477875231.db2.gz KUCFPHNLNSUVSQ-MOPGFXCFSA-N 1 3 333.520 2.917 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451201725 477875236 /nfs/dbraw/zinc/87/52/36/477875236.db2.gz KUCFPHNLNSUVSQ-MOPGFXCFSA-N 1 3 333.520 2.917 20 0 EFADHO CCO[C@@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1SC ZINC000459382372 477875509 /nfs/dbraw/zinc/87/55/09/477875509.db2.gz DNRCEFIWRXEWHG-KSZLIROESA-N 1 3 338.517 2.626 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000461227295 477876389 /nfs/dbraw/zinc/87/63/89/477876389.db2.gz QGIWOOSIGYCTKK-LZLYRXPVSA-N 1 3 334.508 2.706 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000461227295 477876397 /nfs/dbraw/zinc/87/63/97/477876397.db2.gz QGIWOOSIGYCTKK-LZLYRXPVSA-N 1 3 334.508 2.706 20 0 EFADHO CCOC(=O)c1cnn(C2CC[NH+](CCCN3CCCCC3)CC2)c1 ZINC000451214495 477881709 /nfs/dbraw/zinc/88/17/09/477881709.db2.gz WRWHBBXOZPVBFG-UHFFFAOYSA-N 1 3 348.491 2.573 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000459393938 477883636 /nfs/dbraw/zinc/88/36/36/477883636.db2.gz WJLURBOJCVVKDN-ROUUACIJSA-N 1 3 331.504 2.733 20 0 EFADHO O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCCN1C1CCCC1 ZINC000451221498 477884549 /nfs/dbraw/zinc/88/45/49/477884549.db2.gz JQJOAHFARQMOHU-IBGZPJMESA-N 1 3 333.520 2.774 20 0 EFADHO CN(C)CCNC(=O)c1cccc(C[NH2+]C2CC(C(C)(C)C)C2)c1 ZINC000459411196 477894376 /nfs/dbraw/zinc/89/43/76/477894376.db2.gz UCSRAOCQJVSFOY-UHFFFAOYSA-N 1 3 331.504 2.892 20 0 EFADHO COCCN(C)CC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000459413063 477894937 /nfs/dbraw/zinc/89/49/37/477894937.db2.gz SHPXEBMLUHDOJV-NRFANRHFSA-N 1 3 345.531 2.912 20 0 EFADHO C[C@@]1(CN2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000516181775 477903236 /nfs/dbraw/zinc/90/32/36/477903236.db2.gz VRDPOJYYMUGJPD-YLJYHZDGSA-N 1 3 347.478 2.544 20 0 EFADHO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000558639480 477903193 /nfs/dbraw/zinc/90/31/93/477903193.db2.gz GDNCUPYVUHBCLJ-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000558639480 477903198 /nfs/dbraw/zinc/90/31/98/477903198.db2.gz GDNCUPYVUHBCLJ-PKOBYXMFSA-N 1 3 346.519 2.530 20 0 EFADHO CCC[N@H+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000462634321 477913099 /nfs/dbraw/zinc/91/30/99/477913099.db2.gz XXPUNLLVFYWJPJ-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(CCN(C)C)C1CCCC1 ZINC000462634321 477913107 /nfs/dbraw/zinc/91/31/07/477913107.db2.gz XXPUNLLVFYWJPJ-MRXNPFEDSA-N 1 3 326.529 2.623 20 0 EFADHO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000439082948 477927886 /nfs/dbraw/zinc/92/78/86/477927886.db2.gz FTGDUHRUUDEUBO-DZGCQCFKSA-N 1 3 331.460 2.789 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@@H](C)CC[NH+](C)C ZINC000532492534 477934770 /nfs/dbraw/zinc/93/47/70/477934770.db2.gz IBIYSUAEAODLKP-QWHCGFSZSA-N 1 3 341.883 2.996 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)N[C@H](C)CC[NH+](C)C ZINC000532492532 477935052 /nfs/dbraw/zinc/93/50/52/477935052.db2.gz IBIYSUAEAODLKP-CHWSQXEVSA-N 1 3 341.883 2.996 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000532485053 477935828 /nfs/dbraw/zinc/93/58/28/477935828.db2.gz KZHVCJKVUDTHHZ-MOPGFXCFSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](CC2CC2)c2ccccc2)C1 ZINC000532485053 477935834 /nfs/dbraw/zinc/93/58/34/477935834.db2.gz KZHVCJKVUDTHHZ-MOPGFXCFSA-N 1 3 329.488 2.705 20 0 EFADHO C[C@@H]1CN(CCOCC[N@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000532572496 477948491 /nfs/dbraw/zinc/94/84/91/477948491.db2.gz PVFLMWYBJXIGHP-GEEKYZPCSA-N 1 3 332.579 2.655 20 0 EFADHO C[C@@H]1CN(CCOCC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)C[C@H](C)S1 ZINC000532572496 477948494 /nfs/dbraw/zinc/94/84/94/477948494.db2.gz PVFLMWYBJXIGHP-GEEKYZPCSA-N 1 3 332.579 2.655 20 0 EFADHO Cc1ccccc1C[C@@H](CO)[NH2+]C1CCN(c2ccncc2)CC1 ZINC000459514314 477948846 /nfs/dbraw/zinc/94/88/46/477948846.db2.gz SUSGRDNDLOXWMU-IBGZPJMESA-N 1 3 325.456 2.552 20 0 EFADHO C[C@](CO)(C[NH2+]C1CCN(c2ccncc2)CC1)Cc1ccccc1 ZINC000459519417 477951480 /nfs/dbraw/zinc/95/14/80/477951480.db2.gz JVDJAJMTQWTLRH-OAQYLSRUSA-N 1 3 339.483 2.881 20 0 EFADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CCN(C3CC3)CC2)C1 ZINC000494264424 477954662 /nfs/dbraw/zinc/95/46/62/477954662.db2.gz GZEJQVYNPJZBKU-IRXDYDNUSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)[C@@H]([NH2+]CCCN1CCN(C(C)C)CC1)C1(CO)CCCC1 ZINC000459525336 477955283 /nfs/dbraw/zinc/95/52/83/477955283.db2.gz HGMSGHOCZDUEAF-LJQANCHMSA-N 1 3 339.568 2.569 20 0 EFADHO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375820 477973833 /nfs/dbraw/zinc/97/38/33/477973833.db2.gz RNMJUNNOSAPISA-TXPKVOOTSA-N 1 3 344.503 2.942 20 0 EFADHO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Nc2cccc(CN(C)C)c2)C[C@@H](C)C1 ZINC000494375820 477973840 /nfs/dbraw/zinc/97/38/40/477973840.db2.gz RNMJUNNOSAPISA-TXPKVOOTSA-N 1 3 344.503 2.942 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000465457180 477976573 /nfs/dbraw/zinc/97/65/73/477976573.db2.gz VUHXYIOHFCLOEG-MSOLQXFVSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H](C)CCC(C)C ZINC000465457180 477976577 /nfs/dbraw/zinc/97/65/77/477976577.db2.gz VUHXYIOHFCLOEG-MSOLQXFVSA-N 1 3 340.556 2.869 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000465458084 477976672 /nfs/dbraw/zinc/97/66/72/477976672.db2.gz YMABPXVMSIMODW-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000465458084 477976677 /nfs/dbraw/zinc/97/66/77/477976677.db2.gz YMABPXVMSIMODW-KURKYZTESA-N 1 3 338.540 2.623 20 0 EFADHO NCc1cn([C@H]2CCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)nn1 ZINC000516855167 477997015 /nfs/dbraw/zinc/99/70/15/477997015.db2.gz YJXFAVKSEWVLBZ-FQEVSTJZSA-N 1 3 348.454 2.636 20 0 EFADHO NCc1cn([C@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)nn1 ZINC000516855167 477997022 /nfs/dbraw/zinc/99/70/22/477997022.db2.gz YJXFAVKSEWVLBZ-FQEVSTJZSA-N 1 3 348.454 2.636 20 0 EFADHO CN(C)CCN1CCC([NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428861092 477999290 /nfs/dbraw/zinc/99/92/90/477999290.db2.gz ORSGEOLBKYOVCF-UHFFFAOYSA-N 1 3 335.439 2.883 20 0 EFADHO COc1cc([C@H](C)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000559921147 478007201 /nfs/dbraw/zinc/00/72/01/478007201.db2.gz PVIAIKDHDZEAFW-HNAYVOBHSA-N 1 3 341.455 2.508 20 0 EFADHO COc1cc([C@H](C)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000559921147 478007212 /nfs/dbraw/zinc/00/72/12/478007212.db2.gz PVIAIKDHDZEAFW-HNAYVOBHSA-N 1 3 341.455 2.508 20 0 EFADHO COc1cc(OC)c(C[C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000516964485 478025029 /nfs/dbraw/zinc/02/50/29/478025029.db2.gz FFNFBHPZTQIYFO-KKUMJFAQSA-N 1 3 336.476 2.621 20 0 EFADHO COc1cc(OC)c(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCCNC2)c(OC)c1 ZINC000516964485 478025037 /nfs/dbraw/zinc/02/50/37/478025037.db2.gz FFNFBHPZTQIYFO-KKUMJFAQSA-N 1 3 336.476 2.621 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]C1 ZINC000429000167 478029157 /nfs/dbraw/zinc/02/91/57/478029157.db2.gz FVUMGLGELGIXAD-CGTJXYLNSA-N 1 3 347.478 2.542 20 0 EFADHO CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000494652514 478034853 /nfs/dbraw/zinc/03/48/53/478034853.db2.gz ITFKWHSLIJKKCO-VQTJNVASSA-N 1 3 343.515 2.718 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459682419 478039169 /nfs/dbraw/zinc/03/91/69/478039169.db2.gz YOFZPCAPWIUYAR-WOJBJXKFSA-N 1 3 343.515 2.855 20 0 EFADHO CN1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1cccs1 ZINC000494684360 478043728 /nfs/dbraw/zinc/04/37/28/478043728.db2.gz IPVBSWNRGVXYQN-RVKKMQEKSA-N 1 3 335.517 2.779 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000517139853 478054318 /nfs/dbraw/zinc/05/43/18/478054318.db2.gz KNUVNTLCPBCRKT-UHFFFAOYSA-N 1 3 332.492 2.553 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCC[C@H](C)[C@@H]3C)CC2)CC1 ZINC000517171212 478058500 /nfs/dbraw/zinc/05/85/00/478058500.db2.gz BIDOYJBBSJDJIJ-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440001822 478059560 /nfs/dbraw/zinc/05/95/60/478059560.db2.gz NFUCVCRRFNWVNG-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C2CCCC2)C1 ZINC000440001822 478059565 /nfs/dbraw/zinc/05/95/65/478059565.db2.gz NFUCVCRRFNWVNG-PKOBYXMFSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1C[C@H](C)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000533294991 478059962 /nfs/dbraw/zinc/05/99/62/478059962.db2.gz RHYAAFQUJPHLTE-SJORKVTESA-N 1 3 329.488 2.629 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000421375414 478061735 /nfs/dbraw/zinc/06/17/35/478061735.db2.gz OWUVSEDJSQRKGF-UHFFFAOYSA-N 1 3 347.551 2.699 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000421375414 478061743 /nfs/dbraw/zinc/06/17/43/478061743.db2.gz OWUVSEDJSQRKGF-UHFFFAOYSA-N 1 3 347.551 2.699 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3c[nH]nc3C(C)(C)C)CC2)CC1 ZINC000421375414 478061749 /nfs/dbraw/zinc/06/17/49/478061749.db2.gz OWUVSEDJSQRKGF-UHFFFAOYSA-N 1 3 347.551 2.699 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000429123749 478062109 /nfs/dbraw/zinc/06/21/09/478062109.db2.gz WCHLAKRNCOYYIR-AEFFLSMTSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000429123751 478062715 /nfs/dbraw/zinc/06/27/15/478062715.db2.gz WCHLAKRNCOYYIR-SJLPKXTDSA-N 1 3 344.503 2.605 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(Cc3cnn(CC(C)C)c3)CC2)CC1 ZINC000421377840 478063046 /nfs/dbraw/zinc/06/30/46/478063046.db2.gz SDSSVDWFBQEDRS-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO CCN1CCC([N@H+]2CCCN(Cc3cnn(CC(C)C)c3)CC2)CC1 ZINC000421377840 478063054 /nfs/dbraw/zinc/06/30/54/478063054.db2.gz SDSSVDWFBQEDRS-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO CC[NH+]1CCC(N2CCCN(Cc3cnn(CC(C)C)c3)CC2)CC1 ZINC000421377840 478063061 /nfs/dbraw/zinc/06/30/61/478063061.db2.gz SDSSVDWFBQEDRS-UHFFFAOYSA-N 1 3 347.551 2.531 20 0 EFADHO COc1ccc(-n2cc(CNCC[C@H]3CCC[N@H+](C)C3)cn2)cc1 ZINC000459732308 478063123 /nfs/dbraw/zinc/06/31/23/478063123.db2.gz FSKCFRPSTMMZBW-MRXNPFEDSA-N 1 3 328.460 2.702 20 0 EFADHO COc1ccc(-n2cc(CNCC[C@H]3CCC[N@@H+](C)C3)cn2)cc1 ZINC000459732308 478063140 /nfs/dbraw/zinc/06/31/40/478063140.db2.gz FSKCFRPSTMMZBW-MRXNPFEDSA-N 1 3 328.460 2.702 20 0 EFADHO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000440274335 478100698 /nfs/dbraw/zinc/10/06/98/478100698.db2.gz XISMAQOJTDTUFF-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCN1C1CCCC1 ZINC000440274335 478100704 /nfs/dbraw/zinc/10/07/04/478100704.db2.gz XISMAQOJTDTUFF-HKUYNNGSSA-N 1 3 333.520 2.774 20 0 EFADHO CCCN(C)CC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440550299 478133280 /nfs/dbraw/zinc/13/32/80/478133280.db2.gz MZCAVENMHZMMJE-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CCCN(C)CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440550299 478133282 /nfs/dbraw/zinc/13/32/82/478133282.db2.gz MZCAVENMHZMMJE-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000517932054 478133376 /nfs/dbraw/zinc/13/33/76/478133376.db2.gz ATSDBXVCIQACIG-JYJNAYRXSA-N 1 3 332.492 2.637 20 0 EFADHO C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000517932052 478133412 /nfs/dbraw/zinc/13/34/12/478133412.db2.gz ATSDBXVCIQACIG-ARFHVFGLSA-N 1 3 332.492 2.637 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168315 478146832 /nfs/dbraw/zinc/14/68/32/478146832.db2.gz DMWGCNAAWPLBDS-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168315 478146839 /nfs/dbraw/zinc/14/68/39/478146839.db2.gz DMWGCNAAWPLBDS-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000518168315 478146846 /nfs/dbraw/zinc/14/68/46/478146846.db2.gz DMWGCNAAWPLBDS-QFUCXCTJSA-N 1 3 346.515 2.763 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000518169408 478147772 /nfs/dbraw/zinc/14/77/72/478147772.db2.gz WFEPJKFYXCCEDZ-LPHOPBHVSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000518169408 478147779 /nfs/dbraw/zinc/14/77/79/478147779.db2.gz WFEPJKFYXCCEDZ-LPHOPBHVSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)(C)c1ccc(OC[C@@H](O)CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000518169408 478147781 /nfs/dbraw/zinc/14/77/81/478147781.db2.gz WFEPJKFYXCCEDZ-LPHOPBHVSA-N 1 3 346.515 2.798 20 0 EFADHO CC(C)[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ccncc3)CC2)CS1 ZINC000488419768 478148108 /nfs/dbraw/zinc/14/81/08/478148108.db2.gz PNRUSSOPAIALQV-IEBWSBKVSA-N 1 3 348.560 2.713 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488433131 478148823 /nfs/dbraw/zinc/14/88/23/478148823.db2.gz NAFKOLZEWUTAQS-DLBZAZTESA-N 1 3 327.582 2.914 20 0 EFADHO CCNC(=O)C1(CNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000488500659 478155268 /nfs/dbraw/zinc/15/52/68/478155268.db2.gz FVFLOVCZPZMPPQ-WMZOPIPTSA-N 1 3 335.536 2.926 20 0 EFADHO CCNC(=O)C1(C[NH2+]C2CCN([C@H]3CCC[C@H](C)C3)CC2)CCC1 ZINC000488500659 478155273 /nfs/dbraw/zinc/15/52/73/478155273.db2.gz FVFLOVCZPZMPPQ-WMZOPIPTSA-N 1 3 335.536 2.926 20 0 EFADHO CC[N@@H+]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000495266015 478155484 /nfs/dbraw/zinc/15/54/84/478155484.db2.gz QJOFESNGZWWPOT-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@H+]1CC[C@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000495266015 478155490 /nfs/dbraw/zinc/15/54/90/478155490.db2.gz QJOFESNGZWWPOT-CABCVRRESA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000495266018 478155723 /nfs/dbraw/zinc/15/57/23/478155723.db2.gz QJOFESNGZWWPOT-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO CC[N@H+]1CC[C@@H](NCC2(NC(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000495266018 478155729 /nfs/dbraw/zinc/15/57/29/478155729.db2.gz QJOFESNGZWWPOT-LSDHHAIUSA-N 1 3 325.497 2.754 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000495277856 478158708 /nfs/dbraw/zinc/15/87/08/478158708.db2.gz XZXAQGDBFDSCGK-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000495277856 478158711 /nfs/dbraw/zinc/15/87/11/478158711.db2.gz XZXAQGDBFDSCGK-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000495277856 478158719 /nfs/dbraw/zinc/15/87/19/478158719.db2.gz XZXAQGDBFDSCGK-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000495277856 478158725 /nfs/dbraw/zinc/15/87/25/478158725.db2.gz XZXAQGDBFDSCGK-XHSDSOJGSA-N 1 3 325.497 2.706 20 0 EFADHO CC1CCN([C@H](CNC(=O)NCC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000561173861 478160631 /nfs/dbraw/zinc/16/06/31/478160631.db2.gz BHQHHAHFDFXAAL-GOSISDBHSA-N 1 3 344.503 2.640 20 0 EFADHO CCN1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495335200 478174623 /nfs/dbraw/zinc/17/46/23/478174623.db2.gz DTXUPUPGCFNYFC-LPHOPBHVSA-N 1 3 339.524 2.955 20 0 EFADHO CCN1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495335199 478174991 /nfs/dbraw/zinc/17/49/91/478174991.db2.gz DTXUPUPGCFNYFC-APWZRJJASA-N 1 3 339.524 2.955 20 0 EFADHO CC(C)(C)OC(=O)N1CCC[C@@H](NC2CC[NH+](C3CCC3)CC2)C1 ZINC000495372187 478184124 /nfs/dbraw/zinc/18/41/24/478184124.db2.gz ONNNVHNYBSGAJD-MRXNPFEDSA-N 1 3 337.508 2.992 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997589 478184999 /nfs/dbraw/zinc/18/49/99/478184999.db2.gz GCLALZHVLNCQLN-ZACQAIPSSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CN1C1CC1 ZINC000440997589 478185005 /nfs/dbraw/zinc/18/50/05/478185005.db2.gz GCLALZHVLNCQLN-ZACQAIPSSA-N 1 3 336.524 2.565 20 0 EFADHO C[C@@H](CC[NH+](C)C)NC(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000441011169 478187290 /nfs/dbraw/zinc/18/72/90/478187290.db2.gz OFTGHRCTYGUJFW-KRWDZBQOSA-N 1 3 338.540 2.672 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441058408 478190846 /nfs/dbraw/zinc/19/08/46/478190846.db2.gz SJQJEFIJHFGYND-XYJFISCASA-N 1 3 336.524 2.565 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000441058408 478190852 /nfs/dbraw/zinc/19/08/52/478190852.db2.gz SJQJEFIJHFGYND-XYJFISCASA-N 1 3 336.524 2.565 20 0 EFADHO c1c[nH]c(N2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000518996438 478204647 /nfs/dbraw/zinc/20/46/47/478204647.db2.gz ZVPXNBDGHOBWDT-UHFFFAOYSA-N 1 3 339.487 2.718 20 0 EFADHO C[C@H](CCN1CC[C@H](O)CC(C)(C)C1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811542 478211982 /nfs/dbraw/zinc/21/19/82/478211982.db2.gz PHEOVXDXPGSOAE-SQNIBIBYSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CCN1CC[C@H](O)CC(C)(C)C1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811542 478211986 /nfs/dbraw/zinc/21/19/86/478211986.db2.gz PHEOVXDXPGSOAE-SQNIBIBYSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@@H+]1CC[C@H](O)CC(C)(C)C1)N1CC[C@H](O)CC(C)(C)C1 ZINC000451811542 478211990 /nfs/dbraw/zinc/21/19/90/478211990.db2.gz PHEOVXDXPGSOAE-SQNIBIBYSA-N 1 3 340.552 2.731 20 0 EFADHO C[C@H](CC[N@H+]1CC[C@H](O)CC(C)(C)C1)N1CC[C@H](O)CC(C)(C)C1 ZINC000451811542 478211993 /nfs/dbraw/zinc/21/19/93/478211993.db2.gz PHEOVXDXPGSOAE-SQNIBIBYSA-N 1 3 340.552 2.731 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000562138627 478216989 /nfs/dbraw/zinc/21/69/89/478216989.db2.gz DNHBLYCDSYYRTB-SCTDSRPQSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)C1 ZINC000562138627 478216998 /nfs/dbraw/zinc/21/69/98/478216998.db2.gz DNHBLYCDSYYRTB-SCTDSRPQSA-N 1 3 346.519 2.707 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489246687 478227572 /nfs/dbraw/zinc/22/75/72/478227572.db2.gz IMCZNRPZLPEEBP-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000489246687 478227577 /nfs/dbraw/zinc/22/75/77/478227577.db2.gz IMCZNRPZLPEEBP-IEBWSBKVSA-N 1 3 346.519 2.536 20 0 EFADHO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)C1 ZINC000495553357 478228308 /nfs/dbraw/zinc/22/83/08/478228308.db2.gz AGZQOCZKQMYZPV-JKSUJKDBSA-N 1 3 337.508 2.850 20 0 EFADHO CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489246690 478228325 /nfs/dbraw/zinc/22/83/25/478228325.db2.gz IMCZNRPZLPEEBP-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000489246690 478228330 /nfs/dbraw/zinc/22/83/30/478228330.db2.gz IMCZNRPZLPEEBP-PKOBYXMFSA-N 1 3 346.519 2.536 20 0 EFADHO [NH3+][C@@H](CCC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000519546370 478232421 /nfs/dbraw/zinc/23/24/21/478232421.db2.gz YYHFNLXSNKTXDC-IBGZPJMESA-N 1 3 329.488 2.944 20 0 EFADHO COc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc2c1OCO2 ZINC000535815208 478232771 /nfs/dbraw/zinc/23/27/71/478232771.db2.gz DHBWEMZCRWTBAC-UHFFFAOYSA-N 1 3 334.460 2.976 20 0 EFADHO COc1cc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cc2c1OCO2 ZINC000535815208 478232776 /nfs/dbraw/zinc/23/27/76/478232776.db2.gz DHBWEMZCRWTBAC-UHFFFAOYSA-N 1 3 334.460 2.976 20 0 EFADHO CN1CC[C@]2(CCN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C2)C1 ZINC000489330938 478234299 /nfs/dbraw/zinc/23/42/99/478234299.db2.gz PHFLWALARKVQIH-FQEVSTJZSA-N 1 3 348.535 2.521 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000519591887 478237088 /nfs/dbraw/zinc/23/70/88/478237088.db2.gz GTRGEDBXHVKKSQ-PKOBYXMFSA-N 1 3 346.519 2.584 20 0 EFADHO CCC[N@@H+]1CC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595988 478237725 /nfs/dbraw/zinc/23/77/25/478237725.db2.gz IUKCNNMWWKXTJK-NVXWUHKLSA-N 1 3 344.421 2.930 20 0 EFADHO CCC[N@H+]1CC[C@H](CNC[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595988 478237732 /nfs/dbraw/zinc/23/77/32/478237732.db2.gz IUKCNNMWWKXTJK-NVXWUHKLSA-N 1 3 344.421 2.930 20 0 EFADHO CCCN1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000519595988 478237735 /nfs/dbraw/zinc/23/77/35/478237735.db2.gz IUKCNNMWWKXTJK-NVXWUHKLSA-N 1 3 344.421 2.930 20 0 EFADHO CN1CCC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000562423954 478247132 /nfs/dbraw/zinc/24/71/32/478247132.db2.gz BBAXFIAWPRFLPM-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000562423953 478247222 /nfs/dbraw/zinc/24/72/22/478247222.db2.gz BBAXFIAWPRFLPM-IBGZPJMESA-N 1 3 341.499 2.595 20 0 EFADHO CN1CCC[C@@H]1CC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652985 478256991 /nfs/dbraw/zinc/25/69/91/478256991.db2.gz AKIFKQKBLCMRCG-CRAIPNDOSA-N 1 3 325.497 2.707 20 0 EFADHO CN1CCC[C@@H]1CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495652985 478256994 /nfs/dbraw/zinc/25/69/94/478256994.db2.gz AKIFKQKBLCMRCG-CRAIPNDOSA-N 1 3 325.497 2.707 20 0 EFADHO CSCC1CCC([NH2+][C@H]2CCN(C3CCN(C)CC3)C2)CC1 ZINC000590645242 478273874 /nfs/dbraw/zinc/27/38/74/478273874.db2.gz HHMNYYNDVZXSAK-JCYILVPMSA-N 1 3 325.566 2.666 20 0 EFADHO COc1ccc(Cl)cc1NC(=O)CCN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000579341924 478273634 /nfs/dbraw/zinc/27/36/34/478273634.db2.gz GGKVBIPRBTVNLW-GXTWGEPZSA-N 1 3 339.867 2.655 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000579348579 478275409 /nfs/dbraw/zinc/27/54/09/478275409.db2.gz UBNBUACEOPWKLM-IPMKNSEASA-N 1 3 329.488 2.847 20 0 EFADHO CC[NH+](CC)CCO[C@@H]1CCN(CCc2ccc(F)c(F)c2)C1 ZINC000489857776 478278579 /nfs/dbraw/zinc/27/85/79/478278579.db2.gz ROLYQFWEGZQJFW-MRXNPFEDSA-N 1 3 326.431 2.940 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)N1CCCC[C@@H]1C ZINC000520201139 478282746 /nfs/dbraw/zinc/28/27/46/478282746.db2.gz BJQLUZXKSXMBFC-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CCCC[C@@H]1C ZINC000520201139 478282753 /nfs/dbraw/zinc/28/27/53/478282753.db2.gz BJQLUZXKSXMBFC-DLBZAZTESA-N 1 3 338.540 2.765 20 0 EFADHO Cc1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)ccc1I ZINC000579373634 478284250 /nfs/dbraw/zinc/28/42/50/478284250.db2.gz AGWCBLNWXYSART-QWHCGFSZSA-N 1 3 344.240 2.959 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495749767 478300455 /nfs/dbraw/zinc/30/04/55/478300455.db2.gz NDZHNGIHPUNMEE-NUEKZKHPSA-N 1 3 325.497 2.704 20 0 EFADHO CN1CCN(CCCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000562657427 478301535 /nfs/dbraw/zinc/30/15/35/478301535.db2.gz FBQBXHYHWMOHGU-UHFFFAOYSA-N 1 3 337.552 2.874 20 0 EFADHO C[C@@H]1CCC[N@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000579464327 478303941 /nfs/dbraw/zinc/30/39/41/478303941.db2.gz LZTWTGYQUXLNHX-QGZVFWFLSA-N 1 3 338.517 2.562 20 0 EFADHO C[C@@H]1CCC[N@@H+](CCCCNCCS(=O)(=O)c2ccccc2)C1 ZINC000579464327 478303946 /nfs/dbraw/zinc/30/39/46/478303946.db2.gz LZTWTGYQUXLNHX-QGZVFWFLSA-N 1 3 338.517 2.562 20 0 EFADHO CC(C)[NH2+]CCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000520403199 478306517 /nfs/dbraw/zinc/30/65/17/478306517.db2.gz NKPIRAFLCILOOG-OAQYLSRUSA-N 1 3 343.515 2.889 20 0 EFADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000520541351 478322605 /nfs/dbraw/zinc/32/26/05/478322605.db2.gz HZOSTOIVQYSVKD-YJBOKZPZSA-N 1 3 346.500 2.857 20 0 EFADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CNCc2ccccc21 ZINC000520578045 478325439 /nfs/dbraw/zinc/32/54/39/478325439.db2.gz PTOXCVCXTIZDKU-NRFANRHFSA-N 1 3 349.478 2.786 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000579586623 478332034 /nfs/dbraw/zinc/33/20/34/478332034.db2.gz BLGFRBMKIXNNFT-YJBOKZPZSA-N 1 3 329.488 2.500 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CNCc3ccccc32)C1 ZINC000579586623 478332044 /nfs/dbraw/zinc/33/20/44/478332044.db2.gz BLGFRBMKIXNNFT-YJBOKZPZSA-N 1 3 329.488 2.500 20 0 EFADHO CC(C)[N@H+](C)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000590787221 478340995 /nfs/dbraw/zinc/34/09/95/478340995.db2.gz WAXBDLYSJJEPBL-GOSISDBHSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)[N@@H+](C)CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000590787221 478341001 /nfs/dbraw/zinc/34/10/01/478341001.db2.gz WAXBDLYSJJEPBL-GOSISDBHSA-N 1 3 338.467 2.618 20 0 EFADHO CC(C)Cc1ccc([C@@H](CNC(=O)C2CC[NH+](C)CC2)N(C)C)cc1 ZINC000490498432 478345290 /nfs/dbraw/zinc/34/52/90/478345290.db2.gz DXHDGJDHYJIFFB-HXUWFJFHSA-N 1 3 345.531 2.946 20 0 EFADHO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc2c1CCNC2 ZINC000562768274 478345406 /nfs/dbraw/zinc/34/54/06/478345406.db2.gz ZTVJSMUWRKTGOI-CQSZACIVSA-N 1 3 330.476 2.526 20 0 EFADHO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389197 478349387 /nfs/dbraw/zinc/34/93/87/478349387.db2.gz VYWPUBWNZLIPNK-RTBURBONSA-N 1 3 340.471 2.775 20 0 EFADHO [NH3+][C@@H]1CCC[C@H]1NC1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000570389197 478349391 /nfs/dbraw/zinc/34/93/91/478349391.db2.gz VYWPUBWNZLIPNK-RTBURBONSA-N 1 3 340.471 2.775 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000562803268 478354850 /nfs/dbraw/zinc/35/48/50/478354850.db2.gz QAOZJXWSXPKZPI-IMFGXOCKSA-N 1 3 344.503 2.511 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(C)CC2)C12CCCCC2 ZINC000538397963 478357650 /nfs/dbraw/zinc/35/76/50/478357650.db2.gz GXFDJYGLGYYPIA-MOPGFXCFSA-N 1 3 337.552 2.732 20 0 EFADHO C[C@H](NC(C)(C)CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000562811295 478357825 /nfs/dbraw/zinc/35/78/25/478357825.db2.gz XJIHRVLZLLQREW-JQHSSLGASA-N 1 3 344.503 2.509 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000562878765 478373178 /nfs/dbraw/zinc/37/31/78/478373178.db2.gz ZWOBZUMWOPAXRI-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000562878765 478373183 /nfs/dbraw/zinc/37/31/83/478373183.db2.gz ZWOBZUMWOPAXRI-GOSISDBHSA-N 1 3 338.540 2.626 20 0 EFADHO C[C@@H]1CC[N@H+](CCNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000581535549 478381966 /nfs/dbraw/zinc/38/19/66/478381966.db2.gz RMEJUWIRBYLOHQ-QGZVFWFLSA-N 1 3 329.488 2.744 20 0 EFADHO C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000581535549 478381970 /nfs/dbraw/zinc/38/19/70/478381970.db2.gz RMEJUWIRBYLOHQ-QGZVFWFLSA-N 1 3 329.488 2.744 20 0 EFADHO CC(C)COC(=O)N1CCC(NCC2([NH3+])CCCCCC2)CC1 ZINC000495884646 478386335 /nfs/dbraw/zinc/38/63/35/478386335.db2.gz IQZIKANCEZNPED-UHFFFAOYSA-N 1 3 325.497 2.885 20 0 EFADHO CC[N@@H+]1CC[C@H](CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891055 478390661 /nfs/dbraw/zinc/39/06/61/478390661.db2.gz JTKAKIVADYTBRI-HZPDHXFCSA-N 1 3 327.513 2.857 20 0 EFADHO CCN1CC[C@H](C[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891055 478390656 /nfs/dbraw/zinc/39/06/56/478390656.db2.gz JTKAKIVADYTBRI-HZPDHXFCSA-N 1 3 327.513 2.857 20 0 EFADHO CC[N@H+]1CC[C@H](CNC[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1 ZINC000495891055 478390670 /nfs/dbraw/zinc/39/06/70/478390670.db2.gz JTKAKIVADYTBRI-HZPDHXFCSA-N 1 3 327.513 2.857 20 0 EFADHO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000570604222 478396833 /nfs/dbraw/zinc/39/68/33/478396833.db2.gz KRLFGPLLRFUOFF-NUJGCVRESA-N 1 3 331.504 2.820 20 0 EFADHO C[N@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000563003967 478413230 /nfs/dbraw/zinc/41/32/30/478413230.db2.gz ZAEQDAKZUQJPFG-QRTARXTBSA-N 1 3 342.405 2.996 20 0 EFADHO C[N@@H+](C[C@@H](O)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000563003967 478413238 /nfs/dbraw/zinc/41/32/38/478413238.db2.gz ZAEQDAKZUQJPFG-QRTARXTBSA-N 1 3 342.405 2.996 20 0 EFADHO C[N@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000563003964 478413407 /nfs/dbraw/zinc/41/34/07/478413407.db2.gz ZAEQDAKZUQJPFG-FRFSOERESA-N 1 3 342.405 2.996 20 0 EFADHO C[N@@H+](C[C@H](O)CN[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1 ZINC000563003964 478413414 /nfs/dbraw/zinc/41/34/14/478413414.db2.gz ZAEQDAKZUQJPFG-FRFSOERESA-N 1 3 342.405 2.996 20 0 EFADHO C[N@@H+]1CCC[C@@H]1CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495927274 478416891 /nfs/dbraw/zinc/41/68/91/478416891.db2.gz IDTDVZZDAIQZAU-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000495927274 478416898 /nfs/dbraw/zinc/41/68/98/478416898.db2.gz IDTDVZZDAIQZAU-GVDBMIGSSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCc3cnn(C)c3)C2)s1 ZINC000570728177 478430845 /nfs/dbraw/zinc/43/08/45/478430845.db2.gz YZUHDFDJQFHSDJ-KRWDZBQOSA-N 1 3 332.517 2.786 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCc3cnn(C)c3)C2)s1 ZINC000570728177 478430851 /nfs/dbraw/zinc/43/08/51/478430851.db2.gz YZUHDFDJQFHSDJ-KRWDZBQOSA-N 1 3 332.517 2.786 20 0 EFADHO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc2c1CCNC2 ZINC000581872688 478455215 /nfs/dbraw/zinc/45/52/15/478455215.db2.gz DFEZXENZRYPMSC-UHFFFAOYSA-N 1 3 330.476 2.720 20 0 EFADHO C[C@@H]1CC[N@H+](CC[C@@H]2CCCN2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980629 478456389 /nfs/dbraw/zinc/45/63/89/478456389.db2.gz JQYQHJBDHIRKOU-IKGGRYGDSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980629 478456395 /nfs/dbraw/zinc/45/63/95/478456395.db2.gz JQYQHJBDHIRKOU-IKGGRYGDSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980629 478456398 /nfs/dbraw/zinc/45/63/98/478456398.db2.gz JQYQHJBDHIRKOU-IKGGRYGDSA-N 1 3 339.524 2.953 20 0 EFADHO C[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495980629 478456403 /nfs/dbraw/zinc/45/64/03/478456403.db2.gz JQYQHJBDHIRKOU-IKGGRYGDSA-N 1 3 339.524 2.953 20 0 EFADHO O[C@H](CNCc1ccccc1C[NH+]1CCCC1)COc1ccccc1 ZINC000581879334 478457387 /nfs/dbraw/zinc/45/73/87/478457387.db2.gz DFSDJCGAOAZEGM-HXUWFJFHSA-N 1 3 340.467 2.812 20 0 EFADHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000495983760 478459481 /nfs/dbraw/zinc/45/94/81/478459481.db2.gz SHDQGNYRTSWHOO-HUUCEWRRSA-N 1 3 325.497 2.754 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000496026682 478489300 /nfs/dbraw/zinc/48/93/00/478489300.db2.gz OLBANSWTLXOZMC-QXSJWSMHSA-N 1 3 325.497 2.752 20 0 EFADHO CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000496026682 478489309 /nfs/dbraw/zinc/48/93/09/478489309.db2.gz OLBANSWTLXOZMC-QXSJWSMHSA-N 1 3 325.497 2.752 20 0 EFADHO O=C(c1cccc(CN2CCCCC2)c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000563239390 478492810 /nfs/dbraw/zinc/49/28/10/478492810.db2.gz IPWNYWAZZBIAIO-HXUWFJFHSA-N 1 3 341.499 2.983 20 0 EFADHO C[C@H]1CNCC[C@H]1[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496035275 478494089 /nfs/dbraw/zinc/49/40/89/478494089.db2.gz ITOQFYOBUXPOPF-QFBILLFUSA-N 1 3 345.487 2.623 20 0 EFADHO C[C@@H]1CNCC[C@@H]1[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000496035273 478494808 /nfs/dbraw/zinc/49/48/08/478494808.db2.gz ITOQFYOBUXPOPF-APWZRJJASA-N 1 3 345.487 2.623 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cnccc1NC(=O)OC(C)(C)C ZINC000496048847 478502434 /nfs/dbraw/zinc/50/24/34/478502434.db2.gz ZFXVNMNTVJHSQQ-HUUCEWRRSA-N 1 3 348.491 2.843 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000582111642 478514224 /nfs/dbraw/zinc/51/42/24/478514224.db2.gz SWIUXYVRNJXNNF-OALUTQOASA-N 1 3 344.503 2.511 20 0 EFADHO CC1CCN([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000582111643 478514742 /nfs/dbraw/zinc/51/47/42/478514742.db2.gz SWIUXYVRNJXNNF-RBUKOAKNSA-N 1 3 344.503 2.511 20 0 EFADHO CC(=O)c1ccccc1NC(=O)CCCN1CCC(C[NH+](C)C)CC1 ZINC000563356479 478528912 /nfs/dbraw/zinc/52/89/12/478528912.db2.gz PXAGMIXMOHSMDF-UHFFFAOYSA-N 1 3 345.487 2.882 20 0 EFADHO Cn1cncc1CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000563363635 478532564 /nfs/dbraw/zinc/53/25/64/478532564.db2.gz IZMNKPHVUUULIW-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000563363635 478532573 /nfs/dbraw/zinc/53/25/73/478532573.db2.gz IZMNKPHVUUULIW-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000563363635 478532577 /nfs/dbraw/zinc/53/25/77/478532577.db2.gz IZMNKPHVUUULIW-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO Cn1cncc1CCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000563363635 478532585 /nfs/dbraw/zinc/53/25/85/478532585.db2.gz IZMNKPHVUUULIW-NRFANRHFSA-N 1 3 338.499 2.951 20 0 EFADHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496099875 478536624 /nfs/dbraw/zinc/53/66/24/478536624.db2.gz AYUOTRWTCJRWTB-HZPDHXFCSA-N 1 3 339.524 2.952 20 0 EFADHO [NH3+]CCC1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000571172177 478537468 /nfs/dbraw/zinc/53/74/68/478537468.db2.gz PFPWLZKVBCHIME-UHFFFAOYSA-N 1 3 329.488 2.874 20 0 EFADHO C[C@H](CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)N(C)C ZINC000591429408 478549327 /nfs/dbraw/zinc/54/93/27/478549327.db2.gz DNFDRHNIXXZSPR-IAGOWNOFSA-N 1 3 347.503 2.620 20 0 EFADHO C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)N(C)C ZINC000591429408 478549338 /nfs/dbraw/zinc/54/93/38/478549338.db2.gz DNFDRHNIXXZSPR-IAGOWNOFSA-N 1 3 347.503 2.620 20 0 EFADHO CCOC(=O)N1CCC([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000496128323 478555302 /nfs/dbraw/zinc/55/53/02/478555302.db2.gz ZVCNPBNAQDTILR-DOPJRALCSA-N 1 3 331.460 2.978 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC000563423776 478557316 /nfs/dbraw/zinc/55/73/16/478557316.db2.gz JBIBJTJHHUJULP-IIDMSEBBSA-N 1 3 337.895 2.573 20 0 EFADHO C[C@H]1CC[N@H+](CCCN2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496149429 478569844 /nfs/dbraw/zinc/56/98/44/478569844.db2.gz WFNIOZUXMRGPST-DLBZAZTESA-N 1 3 339.524 2.955 20 0 EFADHO C[C@H]1CC[N@@H+](CCCN2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496149429 478569852 /nfs/dbraw/zinc/56/98/52/478569852.db2.gz WFNIOZUXMRGPST-DLBZAZTESA-N 1 3 339.524 2.955 20 0 EFADHO COc1nc2ccccc2cc1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000571327232 478571706 /nfs/dbraw/zinc/57/17/06/478571706.db2.gz SFSCKMAXQZNIFA-MJGOQNOKSA-N 1 3 341.455 2.572 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCCNC1 ZINC000496159910 478578381 /nfs/dbraw/zinc/57/83/81/478578381.db2.gz KDGMHMANOOUDPC-FUHWJXTLSA-N 1 3 345.487 2.765 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000527971310 478594730 /nfs/dbraw/zinc/59/47/30/478594730.db2.gz ZUEXSAXFEFAXGJ-GFOJFJKKSA-N 1 3 343.515 2.732 20 0 EFADHO COc1ccc(CN2CC[C@@H]2CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000527971310 478594734 /nfs/dbraw/zinc/59/47/34/478594734.db2.gz ZUEXSAXFEFAXGJ-GFOJFJKKSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000563598103 478596638 /nfs/dbraw/zinc/59/66/38/478596638.db2.gz NQFCERRQUPLQFA-QUCCMNQESA-N 1 3 344.503 2.547 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000563598103 478596642 /nfs/dbraw/zinc/59/66/42/478596642.db2.gz NQFCERRQUPLQFA-QUCCMNQESA-N 1 3 344.503 2.547 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1Cl)N1CCCCC1 ZINC000563618524 478604078 /nfs/dbraw/zinc/60/40/78/478604078.db2.gz ZXMCCWHJMGCCLA-HOTGVXAUSA-N 1 3 340.895 2.934 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(CC2CC2)C1)CC(C)C ZINC000594967920 478609575 /nfs/dbraw/zinc/60/95/75/478609575.db2.gz RAZMUXHWVATLHW-MSOLQXFVSA-N 1 3 338.540 2.526 20 0 EFADHO Cc1ccc([C@H](CNC(=O)NCCC[NH2+]C(C)C)N2CCCC2)cc1 ZINC000563690829 478617761 /nfs/dbraw/zinc/61/77/61/478617761.db2.gz COADTSSGXPJOMO-IBGZPJMESA-N 1 3 346.519 2.819 20 0 EFADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000591759481 478621554 /nfs/dbraw/zinc/62/15/54/478621554.db2.gz UBWCWMZWCBCCTK-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759481 478621562 /nfs/dbraw/zinc/62/15/62/478621562.db2.gz UBWCWMZWCBCCTK-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759481 478621572 /nfs/dbraw/zinc/62/15/72/478621572.db2.gz UBWCWMZWCBCCTK-AKHDSKFASA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000591759483 478622033 /nfs/dbraw/zinc/62/20/33/478622033.db2.gz UBWCWMZWCBCCTK-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759483 478622040 /nfs/dbraw/zinc/62/20/40/478622040.db2.gz UBWCWMZWCBCCTK-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CSC[C@H](O)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000591759483 478622045 /nfs/dbraw/zinc/62/20/45/478622045.db2.gz UBWCWMZWCBCCTK-WJFTUGDTSA-N 1 3 334.529 2.601 20 0 EFADHO CN1CCN(Cc2ccc(C[NH2+]CC3Cc4ccccc4C3)cc2)CC1 ZINC000563792712 478631626 /nfs/dbraw/zinc/63/16/26/478631626.db2.gz ANOAMFFWNLCRRG-UHFFFAOYSA-N 1 3 349.522 2.939 20 0 EFADHO Cc1ccc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(Cl)c1C ZINC000542181312 478632757 /nfs/dbraw/zinc/63/27/57/478632757.db2.gz DBNSYVHZKWOJBD-UHFFFAOYSA-N 1 3 325.884 2.522 20 0 EFADHO C[C@@H](CNCCC(=O)Nc1cc(F)cc(F)c1)C[NH+]1CCCC1 ZINC000563805183 478635435 /nfs/dbraw/zinc/63/54/35/478635435.db2.gz BKLUHRXKJZNWAW-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)CN1CCCC1 ZINC000563805183 478635443 /nfs/dbraw/zinc/63/54/43/478635443.db2.gz BKLUHRXKJZNWAW-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1=CCN(C)CC1 ZINC000571672008 478651615 /nfs/dbraw/zinc/65/16/15/478651615.db2.gz MHCBLUMEOIPEFI-QFBILLFUSA-N 1 3 346.515 2.964 20 0 EFADHO CC(C)[NH2+]CCCNC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000563875340 478652250 /nfs/dbraw/zinc/65/22/50/478652250.db2.gz LUYWGQQAKASVQM-LJQANCHMSA-N 1 3 346.519 2.728 20 0 EFADHO O=C1CC[C@@H]([NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c2ccccc2N1 ZINC000542470925 478654024 /nfs/dbraw/zinc/65/40/24/478654024.db2.gz LIHGJDOUDMUILG-HNAYVOBHSA-N 1 3 343.471 2.551 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCN1C1CCCCC1 ZINC000528149627 478658784 /nfs/dbraw/zinc/65/87/84/478658784.db2.gz UJXPBMOBSRDSEU-NEWSRXKRSA-N 1 3 348.535 2.662 20 0 EFADHO O=C(NC[C@@H]1CCN1C1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000528151725 478661522 /nfs/dbraw/zinc/66/15/22/478661522.db2.gz UKHVDMXOUHXZCW-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO c1ccc(N2CCO[C@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000571775164 478676075 /nfs/dbraw/zinc/67/60/75/478676075.db2.gz YHYYKOLWFVRFCE-OAQYLSRUSA-N 1 3 343.515 2.700 20 0 EFADHO CN(CCCN(C)Cc1cn(C)nc1C1CCCCC1)CC[NH+](C)C ZINC000564323475 478725012 /nfs/dbraw/zinc/72/50/12/478725012.db2.gz LHTJRJNHKBIFRY-UHFFFAOYSA-N 1 3 349.567 2.783 20 0 EFADHO CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CNCc3ccccc32)cc1 ZINC000571999592 478726836 /nfs/dbraw/zinc/72/68/36/478726836.db2.gz LBOMFUIRQSNFCY-WOJBJXKFSA-N 1 3 337.467 2.813 20 0 EFADHO [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000582958642 478727308 /nfs/dbraw/zinc/72/73/08/478727308.db2.gz KLFKEMWKEUCUME-ZCNNSNEGSA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000601221028 478729978 /nfs/dbraw/zinc/72/99/78/478729978.db2.gz HSUJWAWZFOJEEI-IBGZPJMESA-N 1 3 346.519 2.681 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000498213923 478753477 /nfs/dbraw/zinc/75/34/77/478753477.db2.gz KXNLPQBHOLQSHP-POAQFYNOSA-N 1 3 331.504 2.921 20 0 EFADHO CCC[C@](C)(N)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000498213923 478753484 /nfs/dbraw/zinc/75/34/84/478753484.db2.gz KXNLPQBHOLQSHP-POAQFYNOSA-N 1 3 331.504 2.921 20 0 EFADHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572130974 478760059 /nfs/dbraw/zinc/76/00/59/478760059.db2.gz SXTFKMLXIXRDGF-HNNXBMFYSA-N 1 3 344.503 2.964 20 0 EFADHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CCNC3)C1 ZINC000572130974 478760067 /nfs/dbraw/zinc/76/00/67/478760067.db2.gz SXTFKMLXIXRDGF-HNNXBMFYSA-N 1 3 344.503 2.964 20 0 EFADHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1cc(F)cc(F)c1 ZINC000572148830 478764161 /nfs/dbraw/zinc/76/41/61/478764161.db2.gz DMLXYTBFNDOTBB-UHFFFAOYSA-N 1 3 337.414 2.757 20 0 EFADHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1cc(F)cc(F)c1 ZINC000572148830 478764165 /nfs/dbraw/zinc/76/41/65/478764165.db2.gz DMLXYTBFNDOTBB-UHFFFAOYSA-N 1 3 337.414 2.757 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)N(C)C)cc1 ZINC000601283731 478765266 /nfs/dbraw/zinc/76/52/66/478765266.db2.gz JNRLQWWOYOBHNT-MOPGFXCFSA-N 1 3 346.519 2.770 20 0 EFADHO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)CCN(C)c1ccncc1 ZINC000543712848 478770112 /nfs/dbraw/zinc/77/01/12/478770112.db2.gz NAUNLFPUXKBQEL-IEBWSBKVSA-N 1 3 346.519 2.925 20 0 EFADHO COc1ccc(CN(CCN2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000583145416 478775449 /nfs/dbraw/zinc/77/54/49/478775449.db2.gz VBIRZXIIODOFGW-UHFFFAOYSA-N 1 3 339.483 2.603 20 0 EFADHO CC(C)OCC[C@@H](O)C[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000583257785 478805243 /nfs/dbraw/zinc/80/52/43/478805243.db2.gz AKAFJYDDKNMIFD-QGZVFWFLSA-N 1 3 340.533 2.726 20 0 EFADHO CCOc1cc(CN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)ccc1OC ZINC000583369264 478834717 /nfs/dbraw/zinc/83/47/17/478834717.db2.gz JQALHZQFKJLWMG-HKUYNNGSSA-N 1 3 348.487 2.812 20 0 EFADHO CCC(CC)[C@H](CNC(=O)N1CCN(C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000502964554 478834979 /nfs/dbraw/zinc/83/49/79/478834979.db2.gz HOHJADRDEPQQOI-WMZOPIPTSA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc(CN(C)C)cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000572463939 478840674 /nfs/dbraw/zinc/84/06/74/478840674.db2.gz BVVCYWSJOKSYQL-QGZVFWFLSA-N 1 3 348.491 2.657 20 0 EFADHO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000503770644 478846032 /nfs/dbraw/zinc/84/60/32/478846032.db2.gz AGAYIKIGHONXKB-DLBZAZTESA-N 1 3 346.519 2.851 20 0 EFADHO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)CC[C@@H]1C)c1ccccc1 ZINC000503770648 478846816 /nfs/dbraw/zinc/84/68/16/478846816.db2.gz AGAYIKIGHONXKB-IRXDYDNUSA-N 1 3 346.519 2.851 20 0 EFADHO C[NH+](C)CCN(C(=O)Nc1ccc2c(c1)CNCCO2)C1CCCC1 ZINC000572495926 478852938 /nfs/dbraw/zinc/85/29/38/478852938.db2.gz RACPVFOLFDXWOK-UHFFFAOYSA-N 1 3 346.475 2.507 20 0 EFADHO CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccccc2Cl)CC1 ZINC000583494774 478865392 /nfs/dbraw/zinc/86/53/92/478865392.db2.gz FTJOTABHYKPXNI-KRWDZBQOSA-N 1 3 340.895 2.539 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)C1 ZINC000583509919 478870865 /nfs/dbraw/zinc/87/08/65/478870865.db2.gz BAMXALOGBIWKOQ-RBSFLKMASA-N 1 3 346.393 2.596 20 0 EFADHO O=C(C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)NCc1ccc(F)cc1 ZINC000564973372 478872909 /nfs/dbraw/zinc/87/29/09/478872909.db2.gz CFQPKMMZMNGPAM-QZTJIDSGSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@H]1CCC[N@H+](C[C@@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973372 478872917 /nfs/dbraw/zinc/87/29/17/478872917.db2.gz CFQPKMMZMNGPAM-QZTJIDSGSA-N 1 3 347.478 2.544 20 0 EFADHO O=C(C[C@H]1CCC[N@@H+](C[C@@H]2CCCNC2)C1)NCc1ccc(F)cc1 ZINC000564973372 478872921 /nfs/dbraw/zinc/87/29/21/478872921.db2.gz CFQPKMMZMNGPAM-QZTJIDSGSA-N 1 3 347.478 2.544 20 0 EFADHO CC(C)C[C@H](N)C[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602632 478878736 /nfs/dbraw/zinc/87/87/36/478878736.db2.gz ZIHYQAUSHVDGJN-HKUYNNGSSA-N 1 3 349.494 2.917 20 0 EFADHO CC(C)C[C@H](N)C[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000572602632 478878742 /nfs/dbraw/zinc/87/87/42/478878742.db2.gz ZIHYQAUSHVDGJN-HKUYNNGSSA-N 1 3 349.494 2.917 20 0 EFADHO CN(C)[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000572659322 478889080 /nfs/dbraw/zinc/88/90/80/478889080.db2.gz CMGYFESYSBNGGV-HXUWFJFHSA-N 1 3 339.483 2.823 20 0 EFADHO C[C@H](NCCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000572749610 478911666 /nfs/dbraw/zinc/91/16/66/478911666.db2.gz YOLOSVKIDUTYJK-VHSXEESVSA-N 1 3 336.789 2.753 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CCCC(C)(C)C3)CC2)CC1 ZINC000565188705 478941929 /nfs/dbraw/zinc/94/19/29/478941929.db2.gz OCDFOTQBTPQUSO-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C ZINC000508894696 478944824 /nfs/dbraw/zinc/94/48/24/478944824.db2.gz GFWWNTCBAVERDU-MJGOQNOKSA-N 1 3 348.535 2.969 20 0 EFADHO COC(=O)c1cc(CN2CCC(CC[NH+](C)C)CC2)n2c1CCCC2 ZINC000598670761 478954645 /nfs/dbraw/zinc/95/46/45/478954645.db2.gz PFJHPDZBGNZUFG-UHFFFAOYSA-N 1 3 347.503 2.775 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000510240020 478963755 /nfs/dbraw/zinc/96/37/55/478963755.db2.gz UQTHVECDVFPEDF-DFQSSKMNSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000510240020 478963763 /nfs/dbraw/zinc/96/37/63/478963763.db2.gz UQTHVECDVFPEDF-DFQSSKMNSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000510240030 478964623 /nfs/dbraw/zinc/96/46/23/478964623.db2.gz UQTHVECDVFPEDF-YZGWKJHDSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000510240030 478964634 /nfs/dbraw/zinc/96/46/34/478964634.db2.gz UQTHVECDVFPEDF-YZGWKJHDSA-N 1 3 345.531 2.990 20 0 EFADHO C[C@H](CCc1c(F)cccc1F)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000510683523 478970604 /nfs/dbraw/zinc/97/06/04/478970604.db2.gz GRDHPDLDTVQQFZ-HZPDHXFCSA-N 1 3 340.458 2.968 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299787 478973591 /nfs/dbraw/zinc/97/35/91/478973591.db2.gz LIMSCAHJGYUHBI-YOEHRIQHSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299787 478973594 /nfs/dbraw/zinc/97/35/94/478973594.db2.gz LIMSCAHJGYUHBI-YOEHRIQHSA-N 1 3 342.405 2.683 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000565299787 478973599 /nfs/dbraw/zinc/97/35/99/478973599.db2.gz LIMSCAHJGYUHBI-YOEHRIQHSA-N 1 3 342.405 2.683 20 0 EFADHO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000510946759 478973834 /nfs/dbraw/zinc/97/38/34/478973834.db2.gz GFVRSWITMMBZSZ-HNNXBMFYSA-N 1 3 339.474 2.902 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512104671 478988134 /nfs/dbraw/zinc/98/81/34/478988134.db2.gz HOFQFKYRLQNOQS-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO CCN(C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512104671 478988138 /nfs/dbraw/zinc/98/81/38/478988138.db2.gz HOFQFKYRLQNOQS-IEBWSBKVSA-N 1 3 346.519 2.538 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CNCc2ccccc21 ZINC000573114730 478995098 /nfs/dbraw/zinc/99/50/98/478995098.db2.gz MWJZHROJRYIMMH-LJQANCHMSA-N 1 3 329.488 2.646 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512551480 478999747 /nfs/dbraw/zinc/99/97/47/478999747.db2.gz UQTHVECDVFPEDF-SXLOBPIMSA-N 1 3 345.531 2.990 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512551480 478999756 /nfs/dbraw/zinc/99/97/56/478999756.db2.gz UQTHVECDVFPEDF-SXLOBPIMSA-N 1 3 345.531 2.990 20 0 EFADHO CC[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)N(C)C ZINC000512550461 479001196 /nfs/dbraw/zinc/00/11/96/479001196.db2.gz ICBBMBBQVSUZQC-NZSAHSFTSA-N 1 3 331.504 2.744 20 0 EFADHO CC[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)N(C)C ZINC000512550461 479001205 /nfs/dbraw/zinc/00/12/05/479001205.db2.gz ICBBMBBQVSUZQC-NZSAHSFTSA-N 1 3 331.504 2.744 20 0 EFADHO Clc1ccc2oc(C3CCN(CCN4CC[NH2+]CC4)CC3)nc2c1 ZINC000584116429 479019556 /nfs/dbraw/zinc/01/95/56/479019556.db2.gz XGYOSAZEWZGKQK-UHFFFAOYSA-N 1 3 348.878 2.566 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000565490641 479021408 /nfs/dbraw/zinc/02/14/08/479021408.db2.gz KVRNIVVNVUJGQK-XNFNUYLZSA-N 1 3 331.504 2.655 20 0 EFADHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168065 479037791 /nfs/dbraw/zinc/03/77/91/479037791.db2.gz QYMAMQDSYSIDAP-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168065 479037800 /nfs/dbraw/zinc/03/78/00/479037800.db2.gz QYMAMQDSYSIDAP-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000584168065 479037806 /nfs/dbraw/zinc/03/78/06/479037806.db2.gz QYMAMQDSYSIDAP-ZDUSSCGKSA-N 1 3 325.403 2.615 20 0 EFADHO COc1cc2[nH]c(CCC[NH2+][C@H]3CCC[C@H](N)C3)cc2c(OC)c1 ZINC000514738833 479058837 /nfs/dbraw/zinc/05/88/37/479058837.db2.gz LDQODMUVBRWBFF-KBPBESRZSA-N 1 3 331.460 2.977 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]CC[C@H]1CCCCN1C ZINC000565669813 479060756 /nfs/dbraw/zinc/06/07/56/479060756.db2.gz JQGDJUZHZSWFRN-QXAKKESOSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000565669813 479060758 /nfs/dbraw/zinc/06/07/58/479060758.db2.gz JQGDJUZHZSWFRN-QXAKKESOSA-N 1 3 332.488 2.871 20 0 EFADHO COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC[C@H]1CCCC[N@H+]1C ZINC000565669813 479060759 /nfs/dbraw/zinc/06/07/59/479060759.db2.gz JQGDJUZHZSWFRN-QXAKKESOSA-N 1 3 332.488 2.871 20 0 EFADHO CC(C)[NH2+]CC(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 ZINC000584242777 479066456 /nfs/dbraw/zinc/06/64/56/479066456.db2.gz FEAJFRAZLUKJMP-UHFFFAOYSA-N 1 3 337.895 2.762 20 0 EFADHO Cc1ccc2[nH]c(C[NH2+]CCCCN3CCN(C)CC3)cc2c1C ZINC000546741578 479067786 /nfs/dbraw/zinc/06/77/86/479067786.db2.gz PAFWJLYLAKTEAR-UHFFFAOYSA-N 1 3 328.504 2.902 20 0 EFADHO COC(=O)c1ccc(C[NH2+]C2CCN(c3ccncc3)CC2)cc1 ZINC000514843446 479074440 /nfs/dbraw/zinc/07/44/40/479074440.db2.gz UDAVRQXMQNYJDA-UHFFFAOYSA-N 1 3 325.412 2.627 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000584289577 479081741 /nfs/dbraw/zinc/08/17/41/479081741.db2.gz UBKLABJXPICLSH-MJGOQNOKSA-N 1 3 329.488 2.644 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CNCc2ccccc21 ZINC000584289577 479081745 /nfs/dbraw/zinc/08/17/45/479081745.db2.gz UBKLABJXPICLSH-MJGOQNOKSA-N 1 3 329.488 2.644 20 0 EFADHO Cc1ccc(C2CC(NCC(=O)NCC[NH+]3CCCCCC3)C2)cc1 ZINC000514879669 479082595 /nfs/dbraw/zinc/08/25/95/479082595.db2.gz BSTXOEQZFOBRSS-UHFFFAOYSA-N 1 3 343.515 2.823 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000515061894 479113331 /nfs/dbraw/zinc/11/33/31/479113331.db2.gz JUVPETQCHSYLQE-YTQUADARSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000515061894 479113336 /nfs/dbraw/zinc/11/33/36/479113336.db2.gz JUVPETQCHSYLQE-YTQUADARSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000515061893 479114023 /nfs/dbraw/zinc/11/40/23/479114023.db2.gz JUVPETQCHSYLQE-QXAKKESOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N(C)C ZINC000515061893 479114030 /nfs/dbraw/zinc/11/40/30/479114030.db2.gz JUVPETQCHSYLQE-QXAKKESOSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000515164858 479126235 /nfs/dbraw/zinc/12/62/35/479126235.db2.gz TZBGNASSAKQCCC-ZWKOTPCHSA-N 1 3 332.492 2.545 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000515164858 479126240 /nfs/dbraw/zinc/12/62/40/479126240.db2.gz TZBGNASSAKQCCC-ZWKOTPCHSA-N 1 3 332.492 2.545 20 0 EFADHO CCN(C)C(=O)CCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000515304544 479144675 /nfs/dbraw/zinc/14/46/75/479144675.db2.gz ZWZVEYVPDTWEJO-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO CCN(C)C(=O)CCN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000515304544 479144691 /nfs/dbraw/zinc/14/46/91/479144691.db2.gz ZWZVEYVPDTWEJO-INIZCTEOSA-N 1 3 337.533 2.679 20 0 EFADHO C[C@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000529527747 479191531 /nfs/dbraw/zinc/19/15/31/479191531.db2.gz BWINVIOUASTUKD-OXJNMPFZSA-N 1 3 326.488 2.626 20 0 EFADHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000569944163 479216251 /nfs/dbraw/zinc/21/62/51/479216251.db2.gz MUEWRSWSONESPF-KRWDZBQOSA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc2c1CCNC2 ZINC000569944163 479216257 /nfs/dbraw/zinc/21/62/57/479216257.db2.gz MUEWRSWSONESPF-KRWDZBQOSA-N 1 3 344.503 2.964 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000574191589 479238496 /nfs/dbraw/zinc/23/84/96/479238496.db2.gz GNHHBYVUKOYPBS-AWEZNQCLSA-N 1 3 339.430 2.861 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000574191589 479238501 /nfs/dbraw/zinc/23/85/01/479238501.db2.gz GNHHBYVUKOYPBS-AWEZNQCLSA-N 1 3 339.430 2.861 20 0 EFADHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc2c1CCNC2 ZINC000557032423 479249632 /nfs/dbraw/zinc/24/96/32/479249632.db2.gz OILSQESERNHSCL-INIZCTEOSA-N 1 3 330.476 2.718 20 0 EFADHO CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc2c1CCNC2 ZINC000557032423 479249639 /nfs/dbraw/zinc/24/96/39/479249639.db2.gz OILSQESERNHSCL-INIZCTEOSA-N 1 3 330.476 2.718 20 0 EFADHO C[NH+](C)CCCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000557053066 479250494 /nfs/dbraw/zinc/25/04/94/479250494.db2.gz ZTCOPUIXAPHWRG-UHFFFAOYSA-N 1 3 343.515 2.768 20 0 EFADHO CCc1cccc(OC[C@@H](O)C[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000584835343 479257096 /nfs/dbraw/zinc/25/70/96/479257096.db2.gz VBTUIQXZHJHZSB-HKUYNNGSSA-N 1 3 334.504 2.843 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000557164850 479261425 /nfs/dbraw/zinc/26/14/25/479261425.db2.gz YYLZYNMPKLMNSK-SJLPKXTDSA-N 1 3 344.503 2.511 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000557164605 479261599 /nfs/dbraw/zinc/26/15/99/479261599.db2.gz SIFUOAKSQPKKEI-OGWHTMIXSA-N 1 3 344.503 2.509 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)NCCc3cccs3)CC2)CC1 ZINC000557428906 479277228 /nfs/dbraw/zinc/27/72/28/479277228.db2.gz QMXDSLQYKJSYNL-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cc1 ZINC000574524714 479304540 /nfs/dbraw/zinc/30/45/40/479304540.db2.gz HNBDRZXKJJIDKK-JKSUJKDBSA-N 1 3 331.504 2.876 20 0 EFADHO [NH3+]C[C@H]1CCC[C@@H]1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630353 479318792 /nfs/dbraw/zinc/31/87/92/479318792.db2.gz VTYOXJMGLJCPNK-SKDRFNHKSA-N 1 3 336.789 2.883 20 0 EFADHO NC[C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000574630353 479318797 /nfs/dbraw/zinc/31/87/97/479318797.db2.gz VTYOXJMGLJCPNK-SKDRFNHKSA-N 1 3 336.789 2.883 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000574757893 479343318 /nfs/dbraw/zinc/34/33/18/479343318.db2.gz YWZPSRUXUDDPDH-HNNXBMFYSA-N 1 3 341.421 2.708 20 0 EFADHO c1ncn(Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000574868800 479361955 /nfs/dbraw/zinc/36/19/55/479361955.db2.gz RVAASOUMFITTMC-XUVXKRRUSA-N 1 3 339.487 2.727 20 0 EFADHO c1cc2n(n1)C[C@H](CNC[C@H]1CCC[N@@H+]1CC1CCCCC1)CN2 ZINC000596691758 479390504 /nfs/dbraw/zinc/39/05/04/479390504.db2.gz WSMGAJSGKFHGJL-QZTJIDSGSA-N 1 3 331.508 2.559 20 0 EFADHO c1cc2n(n1)C[C@H](CNC[C@H]1CCC[N@H+]1CC1CCCCC1)CN2 ZINC000596691758 479390509 /nfs/dbraw/zinc/39/05/09/479390509.db2.gz WSMGAJSGKFHGJL-QZTJIDSGSA-N 1 3 331.508 2.559 20 0 EFADHO c1cc2n(n1)C[C@@H](CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1)CN2 ZINC000596691759 479390549 /nfs/dbraw/zinc/39/05/49/479390549.db2.gz WSMGAJSGKFHGJL-ROUUACIJSA-N 1 3 331.508 2.559 20 0 EFADHO c1cc2n(n1)C[C@@H](CNC[C@@H]1CCC[N@H+]1CC1CCCCC1)CN2 ZINC000596691759 479390553 /nfs/dbraw/zinc/39/05/53/479390553.db2.gz WSMGAJSGKFHGJL-ROUUACIJSA-N 1 3 331.508 2.559 20 0 EFADHO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046870 479394317 /nfs/dbraw/zinc/39/43/17/479394317.db2.gz PLOFFNYBPXZBTA-PXNSSMCTSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@@H](CN)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046870 479394324 /nfs/dbraw/zinc/39/43/24/479394324.db2.gz PLOFFNYBPXZBTA-PXNSSMCTSA-N 1 3 326.440 2.891 20 0 EFADHO COc1ccc([C@@H](CN)C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000575046870 479394333 /nfs/dbraw/zinc/39/43/33/479394333.db2.gz PLOFFNYBPXZBTA-PXNSSMCTSA-N 1 3 326.440 2.891 20 0 EFADHO Cc1cccc(CC[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000575177004 479416079 /nfs/dbraw/zinc/41/60/79/479416079.db2.gz NTDOCAGCDYJLEL-QZTJIDSGSA-N 1 3 331.504 2.754 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000575177760 479416146 /nfs/dbraw/zinc/41/61/46/479416146.db2.gz WMOHCAJVJWIHPU-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@H](CNC(=O)C(C)(C)[C@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000575177760 479416151 /nfs/dbraw/zinc/41/61/51/479416151.db2.gz WMOHCAJVJWIHPU-JFIYKMOQSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000575177762 479416234 /nfs/dbraw/zinc/41/62/34/479416234.db2.gz WMOHCAJVJWIHPU-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H](CNC(=O)C(C)(C)[C@@H](N)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000575177762 479416237 /nfs/dbraw/zinc/41/62/37/479416237.db2.gz WMOHCAJVJWIHPU-RYRKJORJSA-N 1 3 331.504 2.949 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602719803 479502527 /nfs/dbraw/zinc/50/25/27/479502527.db2.gz UKJHERBAUAHFOM-VXIBKDFQSA-N 1 3 328.456 2.896 20 0 EFADHO COC(=O)[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602719803 479502532 /nfs/dbraw/zinc/50/25/32/479502532.db2.gz UKJHERBAUAHFOM-VXIBKDFQSA-N 1 3 328.456 2.896 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)C1 ZINC000575970661 479512408 /nfs/dbraw/zinc/51/24/08/479512408.db2.gz IHPNXZNUWXQHHY-IEBWSBKVSA-N 1 3 340.471 2.795 20 0 EFADHO C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](N2CCCCC2)C1)C(C)(C)C ZINC000604788895 479571367 /nfs/dbraw/zinc/57/13/67/479571367.db2.gz SUPSXIPWAGQTMC-IRXDYDNUSA-N 1 3 338.540 2.623 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)[C@H]1SC ZINC000597192036 479613369 /nfs/dbraw/zinc/61/33/69/479613369.db2.gz PMENNORCNZYQBG-GUDVDZBRSA-N 1 3 349.544 2.792 20 0 EFADHO CCOc1cc(CN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1OC ZINC000578966582 479639707 /nfs/dbraw/zinc/63/97/07/479639707.db2.gz NNYRRWODWHWQQE-YLJYHZDGSA-N 1 3 348.487 2.812 20 0 EFADHO CCOc1cc(CN2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1OC ZINC000578966580 479639829 /nfs/dbraw/zinc/63/98/29/479639829.db2.gz NNYRRWODWHWQQE-PXNSSMCTSA-N 1 3 348.487 2.812 20 0 EFADHO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000597247407 479642285 /nfs/dbraw/zinc/64/22/85/479642285.db2.gz KEFWYFRLWDVOCM-LVFSCSRESA-N 1 3 334.504 2.961 20 0 EFADHO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000597247407 479642287 /nfs/dbraw/zinc/64/22/87/479642287.db2.gz KEFWYFRLWDVOCM-LVFSCSRESA-N 1 3 334.504 2.961 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000579000997 479647870 /nfs/dbraw/zinc/64/78/70/479647870.db2.gz CZFKFZSFZGFTGE-RYQLBKOJSA-N 1 3 331.504 2.962 20 0 EFADHO C[C@H](CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)N(C)Cc1ccccc1 ZINC000606686158 479723796 /nfs/dbraw/zinc/72/37/96/479723796.db2.gz UWDBTIYLNRPXPE-SJORKVTESA-N 1 3 346.519 2.536 20 0 EFADHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000615673245 479732962 /nfs/dbraw/zinc/73/29/62/479732962.db2.gz HEFXOOUQQKAZKI-KRWDZBQOSA-N 1 3 338.540 2.624 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606841529 479740244 /nfs/dbraw/zinc/74/02/44/479740244.db2.gz YIKKHYAIKZKIND-UYAOXDASSA-N 1 3 345.531 2.973 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)c1cccc(C)c1 ZINC000606841529 479740249 /nfs/dbraw/zinc/74/02/49/479740249.db2.gz YIKKHYAIKZKIND-UYAOXDASSA-N 1 3 345.531 2.973 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621667662 479745442 /nfs/dbraw/zinc/74/54/42/479745442.db2.gz JFBWWXDPGWGBGK-WOJBJXKFSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1CO ZINC000621736988 479777171 /nfs/dbraw/zinc/77/71/71/479777171.db2.gz JWQFFJQJNLNUBZ-IEBWSBKVSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@H]1CO ZINC000621736988 479777176 /nfs/dbraw/zinc/77/71/76/479777176.db2.gz JWQFFJQJNLNUBZ-IEBWSBKVSA-N 1 3 345.531 2.667 20 0 EFADHO CC1CCN([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612870446 479786735 /nfs/dbraw/zinc/78/67/35/479786735.db2.gz CXYLRJYOKOHEON-AZUAARDMSA-N 1 3 344.503 2.511 20 0 EFADHO CC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCN2C2CCCC2)CC1 ZINC000633370492 479794028 /nfs/dbraw/zinc/79/40/28/479794028.db2.gz DOPNZCBVPNGIBM-GOSISDBHSA-N 1 3 348.535 2.663 20 0 EFADHO C[NH+](C)CCOc1ccc(CCNCc2cnc(C3CC3)o2)cc1 ZINC000628213298 479817401 /nfs/dbraw/zinc/81/74/01/479817401.db2.gz FQKWVFZJFMZWGR-UHFFFAOYSA-N 1 3 329.444 2.825 20 0 EFADHO CN(Cc1ccc2[nH]ccc2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000628278826 479838983 /nfs/dbraw/zinc/83/89/83/479838983.db2.gz JDIPXIAVVFUWFC-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CN(Cc1ccc2[nH]ccc2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000628278826 479838991 /nfs/dbraw/zinc/83/89/91/479838991.db2.gz JDIPXIAVVFUWFC-IBGZPJMESA-N 1 3 326.488 2.768 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC(C)(C)C ZINC000625286043 479849564 /nfs/dbraw/zinc/84/95/64/479849564.db2.gz QJLKAPMKQVFAJN-UHFFFAOYSA-N 1 3 346.519 2.782 20 0 EFADHO COc1ccccc1N1CCC([NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000631056481 479863305 /nfs/dbraw/zinc/86/33/05/479863305.db2.gz OPMQYIWLNDMNMR-KRWDZBQOSA-N 1 3 331.504 2.984 20 0 EFADHO CC[C@H](NCCN1CCC([NH+](C)C)CC1)c1cccc(OC)c1OC ZINC000631585511 480167927 /nfs/dbraw/zinc/16/79/27/480167927.db2.gz RAGKIFIQKVHCTE-SFHVURJKSA-N 1 3 349.519 2.771 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@@H]1CCCOc2c(OC)cccc21 ZINC000631586091 480168563 /nfs/dbraw/zinc/16/85/63/480168563.db2.gz FBNTUVRLPQGDGS-NVXWUHKLSA-N 1 3 336.476 2.855 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000617344270 480174748 /nfs/dbraw/zinc/17/47/48/480174748.db2.gz FHZLKQPUXZEFGQ-SFHVURJKSA-N 1 3 329.488 2.885 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000617343861 480175674 /nfs/dbraw/zinc/17/56/74/480175674.db2.gz ZHUWGWTYNGQBJW-RTBURBONSA-N 1 3 343.515 2.855 20 0 EFADHO CCN(CCn1c(C)csc1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061605 480183094 /nfs/dbraw/zinc/18/30/94/480183094.db2.gz PMXQHQHHUOLUHD-UHFFFAOYSA-N 1 3 333.501 2.802 20 0 EFADHO COC1([C@H](C)[NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000631664948 480206283 /nfs/dbraw/zinc/20/62/83/480206283.db2.gz SRHFDVNGQIKQLH-HBFSDRIKSA-N 1 3 346.515 2.928 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000631721477 480237584 /nfs/dbraw/zinc/23/75/84/480237584.db2.gz YHQSZVVKMSYWKK-XRGAULLZSA-N 1 3 330.394 2.798 20 0 EFADHO Clc1ccccc1[C@@H]1CCC[C@@H]1NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629405726 480245325 /nfs/dbraw/zinc/24/53/25/480245325.db2.gz LYZQMERULKRGCT-ZVZYQTTQSA-N 1 3 345.878 2.892 20 0 EFADHO CC[NH+]1CCC(CNCc2cc(C)c(Br)cn2)CC1 ZINC000623403504 480266403 /nfs/dbraw/zinc/26/64/03/480266403.db2.gz YFDNBLURTAIXHM-UHFFFAOYSA-N 1 3 326.282 2.974 20 0 EFADHO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614335429 480274435 /nfs/dbraw/zinc/27/44/35/480274435.db2.gz OVUWEOIIFDXQCD-IBGZPJMESA-N 1 3 338.455 2.803 20 0 EFADHO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000614335429 480274440 /nfs/dbraw/zinc/27/44/40/480274440.db2.gz OVUWEOIIFDXQCD-IBGZPJMESA-N 1 3 338.455 2.803 20 0 EFADHO Cc1ccc2ncc(CN3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc2c1 ZINC000629533429 480296699 /nfs/dbraw/zinc/29/66/99/480296699.db2.gz ZQJAOHCVSZODAB-GOSISDBHSA-N 1 3 325.456 2.731 20 0 EFADHO [NH3+]CCOCCN1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629547796 480300023 /nfs/dbraw/zinc/30/00/23/480300023.db2.gz FZQWPFRJYHICLL-AWEZNQCLSA-N 1 3 345.306 2.591 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626307613 480304322 /nfs/dbraw/zinc/30/43/22/480304322.db2.gz LCYOASNGSCJMBY-LSTHTHJFSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000626307613 480304327 /nfs/dbraw/zinc/30/43/27/480304327.db2.gz LCYOASNGSCJMBY-LSTHTHJFSA-N 1 3 343.515 2.521 20 0 EFADHO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCC[C@@H](O)COCc1ccccc1 ZINC000629554992 480304747 /nfs/dbraw/zinc/30/47/47/480304747.db2.gz PIGVGLLWZSTATQ-YSIASYRMSA-N 1 3 334.504 2.855 20 0 EFADHO O[C@H](C[NH2+][C@H]1C[C@@H]1c1ccccc1C(F)(F)F)CN1CCCC1 ZINC000629558605 480305387 /nfs/dbraw/zinc/30/53/87/480305387.db2.gz KHMDZRCTUQBSCO-XPKDYRNWSA-N 1 3 328.378 2.608 20 0 EFADHO O[C@H](C[NH2+][C@@H]1C[C@H]1c1ccccc1C(F)(F)F)CN1CCCC1 ZINC000629558603 480306107 /nfs/dbraw/zinc/30/61/07/480306107.db2.gz KHMDZRCTUQBSCO-IVMMDQJWSA-N 1 3 328.378 2.608 20 0 EFADHO Cc1ccc([C@@H]2OCCC[C@H]2CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000629565462 480309863 /nfs/dbraw/zinc/30/98/63/480309863.db2.gz PTFVELSTGUVZJT-UFYCRDLUSA-N 1 3 332.488 2.509 20 0 EFADHO CC[C@@H](C[NH2+]C[C@@H](O)CN1CCCC1)Oc1ccccc1Cl ZINC000629564992 480309906 /nfs/dbraw/zinc/30/99/06/480309906.db2.gz NUYFJOAQMDBTJP-CABCVRRESA-N 1 3 326.868 2.544 20 0 EFADHO O[C@@H](CN[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C[NH+]1CCCC1 ZINC000629577879 480314201 /nfs/dbraw/zinc/31/42/01/480314201.db2.gz KHTSLDRCOUEVGK-XIRDDKMYSA-N 1 3 342.405 2.998 20 0 EFADHO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000621107613 480337791 /nfs/dbraw/zinc/33/77/91/480337791.db2.gz JGHUBPMOQUCSNC-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H]1CCCN1C1CCCC1 ZINC000621107613 480337796 /nfs/dbraw/zinc/33/77/96/480337796.db2.gz JGHUBPMOQUCSNC-PKOBYXMFSA-N 1 3 333.520 2.632 20 0 EFADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629647823 480342747 /nfs/dbraw/zinc/34/27/47/480342747.db2.gz BGZOWXFNPQSCKI-QUCCMNQESA-N 1 3 328.456 2.681 20 0 EFADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000629647824 480342814 /nfs/dbraw/zinc/34/28/14/480342814.db2.gz BGZOWXFNPQSCKI-UYAOXDASSA-N 1 3 328.456 2.681 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2CC2=Cc3ccccc3OC2)C1 ZINC000629649847 480343957 /nfs/dbraw/zinc/34/39/57/480343957.db2.gz IAUORWZGUSNDKW-QWFCFKBJSA-N 1 3 328.456 2.823 20 0 EFADHO CN(CCOCC[NH3+])Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000629664951 480350288 /nfs/dbraw/zinc/35/02/88/480350288.db2.gz LYJNAQUFABTOEW-UHFFFAOYSA-N 1 3 332.419 2.812 20 0 EFADHO CC(C)[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCN1 ZINC000621150382 480361381 /nfs/dbraw/zinc/36/13/81/480361381.db2.gz DQERMGFKCPSMJN-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO C[NH+](C)CCOc1cccc(-c2ccc([C@@H]3CNCCO3)cc2)c1 ZINC000629701276 480362427 /nfs/dbraw/zinc/36/24/27/480362427.db2.gz UEXWKXVLJRGLPO-FQEVSTJZSA-N 1 3 326.440 2.955 20 0 EFADHO C[NH+](C)CC1(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CC1 ZINC000635452715 480387926 /nfs/dbraw/zinc/38/79/26/480387926.db2.gz IHXJNJOMGOEFKO-UHFFFAOYSA-N 1 3 347.528 2.558 20 0 EFADHO Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CC2)N2CCCC2)cc1 ZINC000635454686 480390476 /nfs/dbraw/zinc/39/04/76/480390476.db2.gz ZXHGYVYJGFRCML-SFHVURJKSA-N 1 3 329.488 2.590 20 0 EFADHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCN3C3CCCC3)C2)CC1 ZINC000635455840 480391755 /nfs/dbraw/zinc/39/17/55/480391755.db2.gz HKCKLMAPVJDJJB-AZUAARDMSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccccc1CN1CCCC[C@H]1C)S(C)(=O)=O ZINC000644522291 480411882 /nfs/dbraw/zinc/41/18/82/480411882.db2.gz JSKQCHPWPBPLOA-CVEARBPZSA-N 1 3 338.517 2.584 20 0 EFADHO C[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000644527097 480417729 /nfs/dbraw/zinc/41/77/29/480417729.db2.gz ZICHMNOCNKVBAH-AZUAARDMSA-N 1 3 347.547 2.579 20 0 EFADHO O[C@H](C[NH2+]C[C@@H]1CCN(C2CC2)C1)COc1cccc2ccccc21 ZINC000644531744 480420741 /nfs/dbraw/zinc/42/07/41/480420741.db2.gz AMYNGKCLUOKWBF-QFBILLFUSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531744 480420744 /nfs/dbraw/zinc/42/07/44/480420744.db2.gz AMYNGKCLUOKWBF-QFBILLFUSA-N 1 3 340.467 2.653 20 0 EFADHO O[C@H](CNC[C@@H]1CC[N@H+](C2CC2)C1)COc1cccc2ccccc21 ZINC000644531744 480420749 /nfs/dbraw/zinc/42/07/49/480420749.db2.gz AMYNGKCLUOKWBF-QFBILLFUSA-N 1 3 340.467 2.653 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000644535498 480423034 /nfs/dbraw/zinc/42/30/34/480423034.db2.gz FCYZPEWWTBPLLM-ABAIWWIYSA-N 1 3 331.287 2.969 20 0 EFADHO C[C@H](Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000644535498 480423037 /nfs/dbraw/zinc/42/30/37/480423037.db2.gz FCYZPEWWTBPLLM-ABAIWWIYSA-N 1 3 331.287 2.969 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000634678615 480425169 /nfs/dbraw/zinc/42/51/69/480425169.db2.gz ZMEVNPGOOULEKQ-HXUWFJFHSA-N 1 3 345.531 2.871 20 0 EFADHO Cn1nccc1CC[N@@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000634688005 480430402 /nfs/dbraw/zinc/43/04/02/480430402.db2.gz FIAVOHNPPUREAA-ICSRJNTNSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CC[N@H+]1CCCC[C@H]1[C@H](CN)Cc1ccccc1 ZINC000634688005 480430411 /nfs/dbraw/zinc/43/04/11/480430411.db2.gz FIAVOHNPPUREAA-ICSRJNTNSA-N 1 3 326.488 2.635 20 0 EFADHO Cn1nccc1CCN1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000634688005 480430418 /nfs/dbraw/zinc/43/04/18/480430418.db2.gz FIAVOHNPPUREAA-ICSRJNTNSA-N 1 3 326.488 2.635 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)CC(C)(C)C ZINC000635511835 480430795 /nfs/dbraw/zinc/43/07/95/480430795.db2.gz OFNSURRLIFSVAK-LJQANCHMSA-N 1 3 345.531 2.645 20 0 EFADHO CN(CC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)CC(C)(C)C ZINC000635511835 480430803 /nfs/dbraw/zinc/43/08/03/480430803.db2.gz OFNSURRLIFSVAK-LJQANCHMSA-N 1 3 345.531 2.645 20 0 EFADHO CO[C@@H](CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976662 480434159 /nfs/dbraw/zinc/43/41/59/480434159.db2.gz FOBWDAANWOUJKU-ICSRJNTNSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@@H](C[N@@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976662 480434167 /nfs/dbraw/zinc/43/41/67/480434167.db2.gz FOBWDAANWOUJKU-ICSRJNTNSA-N 1 3 338.536 2.872 20 0 EFADHO CO[C@@H](C[N@H+]1CCC[C@@H](CN2CCC(C)CC2)C1)C1CCOCC1 ZINC000637976662 480434174 /nfs/dbraw/zinc/43/41/74/480434174.db2.gz FOBWDAANWOUJKU-ICSRJNTNSA-N 1 3 338.536 2.872 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(F)cc1 ZINC000640532864 480438050 /nfs/dbraw/zinc/43/80/50/480438050.db2.gz XLRQOMVREHTASP-SFHVURJKSA-N 1 3 338.467 2.763 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@H]2c2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634701908 480440971 /nfs/dbraw/zinc/44/09/71/480440971.db2.gz XTMUHZMTRYONFK-HBMCJLEFSA-N 1 3 340.442 2.908 20 0 EFADHO O[C@]1(CN[C@@H]2C[C@H]2c2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634701908 480440979 /nfs/dbraw/zinc/44/09/79/480440979.db2.gz XTMUHZMTRYONFK-HBMCJLEFSA-N 1 3 340.442 2.908 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@@H+]1C ZINC000634706463 480445637 /nfs/dbraw/zinc/44/56/37/480445637.db2.gz PPEGXSZFKYIIBW-BYCMXARLSA-N 1 3 347.286 2.805 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC[N@H+]1C ZINC000634706463 480445645 /nfs/dbraw/zinc/44/56/45/480445645.db2.gz PPEGXSZFKYIIBW-BYCMXARLSA-N 1 3 347.286 2.805 20 0 EFADHO O[C@]1(CNCCc2cccc(F)c2F)CC[N@H+](Cc2ccccc2)C1 ZINC000634704579 480446297 /nfs/dbraw/zinc/44/62/97/480446297.db2.gz MMBMYAIBGALBOD-FQEVSTJZSA-N 1 3 346.421 2.734 20 0 EFADHO O[C@]1(CNCCc2cccc(F)c2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634704579 480446302 /nfs/dbraw/zinc/44/63/02/480446302.db2.gz MMBMYAIBGALBOD-FQEVSTJZSA-N 1 3 346.421 2.734 20 0 EFADHO O=c1[nH]cccc1CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623777149 480448221 /nfs/dbraw/zinc/44/82/21/480448221.db2.gz RLKGUBHQDOVLEL-UHFFFAOYSA-N 1 3 327.428 2.552 20 0 EFADHO CC[C@H](CC(F)(F)F)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634711163 480452371 /nfs/dbraw/zinc/45/23/71/480452371.db2.gz KPVPGGIJNVJJAE-CVEARBPZSA-N 1 3 330.394 2.944 20 0 EFADHO CC[C@H](CC(F)(F)F)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634711163 480452377 /nfs/dbraw/zinc/45/23/77/480452377.db2.gz KPVPGGIJNVJJAE-CVEARBPZSA-N 1 3 330.394 2.944 20 0 EFADHO CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H](N(C)C)C2)cc1 ZINC000644583825 480452334 /nfs/dbraw/zinc/45/23/34/480452334.db2.gz PDTHBMSCWGQNGQ-OWCLPIDISA-N 1 3 338.517 2.611 20 0 EFADHO CN(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCC1 ZINC000629943760 480461600 /nfs/dbraw/zinc/46/16/00/480461600.db2.gz AHSPRGLOKIQIMM-UHFFFAOYSA-N 1 3 329.488 2.773 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000644601510 480465127 /nfs/dbraw/zinc/46/51/27/480465127.db2.gz PCESARGVPPLZPC-RZXSNQJFSA-N 1 3 346.515 2.509 20 0 EFADHO C[C@H](c1ccccc1)[C@H](O)CNC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000644601510 480465134 /nfs/dbraw/zinc/46/51/34/480465134.db2.gz PCESARGVPPLZPC-RZXSNQJFSA-N 1 3 346.515 2.509 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000634724517 480466889 /nfs/dbraw/zinc/46/68/89/480466889.db2.gz RPUNZAWYGNJOLP-KBMXLJTQSA-N 1 3 330.394 2.657 20 0 EFADHO CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000634724531 480468549 /nfs/dbraw/zinc/46/85/49/480468549.db2.gz SDLBJTAQXOBSCX-HOJAQTOUSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000634724531 480468552 /nfs/dbraw/zinc/46/85/52/480468552.db2.gz SDLBJTAQXOBSCX-HOJAQTOUSA-N 1 3 334.504 2.520 20 0 EFADHO CC(C)OCC[C@H](O)CNC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000634724531 480468567 /nfs/dbraw/zinc/46/85/67/480468567.db2.gz SDLBJTAQXOBSCX-HOJAQTOUSA-N 1 3 334.504 2.520 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CCC1 ZINC000629953212 480469858 /nfs/dbraw/zinc/46/98/58/480469858.db2.gz LSPUVZBXTULDRH-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CCC1 ZINC000629953212 480469867 /nfs/dbraw/zinc/46/98/67/480469867.db2.gz LSPUVZBXTULDRH-HNNXBMFYSA-N 1 3 335.517 2.561 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C2=CCN(C)CC2)c1C ZINC000644618444 480477516 /nfs/dbraw/zinc/47/75/16/480477516.db2.gz JZSYARFJZIMQAH-PKOBYXMFSA-N 1 3 332.488 2.592 20 0 EFADHO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1Cl)CN1CCCC1 ZINC000644631949 480485930 /nfs/dbraw/zinc/48/59/30/480485930.db2.gz HSBDRXVHLVFPKF-OAHLLOKOSA-N 1 3 340.895 2.791 20 0 EFADHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CN(C)C1CCC1 ZINC000629977180 480488619 /nfs/dbraw/zinc/48/86/19/480488619.db2.gz XZJJTSVRWLEELB-UHFFFAOYSA-N 1 3 344.503 2.631 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)CN(C)C2CCC2)CC1)CC1CC1 ZINC000629975891 480488672 /nfs/dbraw/zinc/48/86/72/480488672.db2.gz AYGFVWIQYFOKFS-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)CN(C)C2CCC2)CC1)CC1CC1 ZINC000629975891 480488681 /nfs/dbraw/zinc/48/86/81/480488681.db2.gz AYGFVWIQYFOKFS-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@@H]1c1cccs1 ZINC000635604168 480499571 /nfs/dbraw/zinc/49/95/71/480499571.db2.gz UYYKNTOYKKSBJW-GDBMZVCRSA-N 1 3 335.517 2.589 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)CN(C)C2CCC2)[NH+](C)C)cc1 ZINC000629992669 480500036 /nfs/dbraw/zinc/50/00/36/480500036.db2.gz AFYUYEQTPWRHMO-IBGZPJMESA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@H+](C)C2CCC2)N(C)C)cc1 ZINC000629992669 480500042 /nfs/dbraw/zinc/50/00/42/480500042.db2.gz AFYUYEQTPWRHMO-IBGZPJMESA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)Oc1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCC2)N(C)C)cc1 ZINC000629992669 480500052 /nfs/dbraw/zinc/50/00/52/480500052.db2.gz AFYUYEQTPWRHMO-IBGZPJMESA-N 1 3 347.503 2.677 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](N)CCC(C)C)CC1 ZINC000638063297 480504586 /nfs/dbraw/zinc/50/45/86/480504586.db2.gz LCAHRVTWGFPNCF-LJQANCHMSA-N 1 3 331.504 2.839 20 0 EFADHO CC1(C)C[NH2+]CC[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000634761255 480505377 /nfs/dbraw/zinc/50/53/77/480505377.db2.gz WMVPYLDYMLXHJG-LJQANCHMSA-N 1 3 343.515 2.793 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000638081359 480520551 /nfs/dbraw/zinc/52/05/51/480520551.db2.gz YPERAZUASQZCPW-HNNXBMFYSA-N 1 3 341.883 2.982 20 0 EFADHO CC(C)CC[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000638092721 480528666 /nfs/dbraw/zinc/52/86/66/480528666.db2.gz ZUKACUGRALCJTO-INIZCTEOSA-N 1 3 332.492 2.895 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000623966708 480545882 /nfs/dbraw/zinc/54/58/82/480545882.db2.gz LICARIYPCASGNR-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000623966708 480545889 /nfs/dbraw/zinc/54/58/89/480545889.db2.gz LICARIYPCASGNR-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO COCC[N@H+](C)CCCC1CCN([C@@H](c2nccn2C)C2CC2)CC1 ZINC000638133616 480558233 /nfs/dbraw/zinc/55/82/33/480558233.db2.gz RWXRCXDNCNJPQZ-LJQANCHMSA-N 1 3 348.535 2.942 20 0 EFADHO COCC[N@@H+](C)CCCC1CCN([C@@H](c2nccn2C)C2CC2)CC1 ZINC000638133616 480558240 /nfs/dbraw/zinc/55/82/40/480558240.db2.gz RWXRCXDNCNJPQZ-LJQANCHMSA-N 1 3 348.535 2.942 20 0 EFADHO C[C@@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@H]1N1CCN(C)CC1 ZINC000638137924 480562770 /nfs/dbraw/zinc/56/27/70/480562770.db2.gz QSYZLHPQJHYIKR-YLJYHZDGSA-N 1 3 340.515 2.636 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2cc3ccccc3n2C)CC[C@H]1N1CCN(C)CC1 ZINC000638137924 480562780 /nfs/dbraw/zinc/56/27/80/480562780.db2.gz QSYZLHPQJHYIKR-YLJYHZDGSA-N 1 3 340.515 2.636 20 0 EFADHO COc1cccc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)OC)c1 ZINC000624032744 480576754 /nfs/dbraw/zinc/57/67/54/480576754.db2.gz XGFOBOVEBZMTLX-PMACEKPBSA-N 1 3 348.487 2.616 20 0 EFADHO CC[NH2+][C@@H](C)C(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC000638230103 480615797 /nfs/dbraw/zinc/61/57/97/480615797.db2.gz AAHGJMJUUAZZJN-ZDUSSCGKSA-N 1 3 345.409 2.594 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000624122694 480619947 /nfs/dbraw/zinc/61/99/47/480619947.db2.gz YTRIQQIBKIAXNX-ZJOUEHCJSA-N 1 3 345.531 2.770 20 0 EFADHO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624120651 480620583 /nfs/dbraw/zinc/62/05/83/480620583.db2.gz DLDOQHPNCNDPCZ-QWFCFKBJSA-N 1 3 330.520 2.614 20 0 EFADHO COCc1ccccc1/C=C(\C)C[NH2+]CCCN1CCCN(C)CC1 ZINC000644885103 480625990 /nfs/dbraw/zinc/62/59/90/480625990.db2.gz AVZJJXMWTAIFKU-KNTRCKAVSA-N 1 3 345.531 2.854 20 0 EFADHO CCN(CC)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000638286926 480644243 /nfs/dbraw/zinc/64/42/43/480644243.db2.gz PXDVYDSGMYAVCW-FQEVSTJZSA-N 1 3 347.547 2.894 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]CCOCCO)CCN(Cc2ccccc2)C1 ZINC000638291611 480647541 /nfs/dbraw/zinc/64/75/41/480647541.db2.gz RBUZUSZPAHNCBA-FQEVSTJZSA-N 1 3 334.504 2.523 20 0 EFADHO CC(C)(C)[C@]1(CNCCOCCO)CC[N@H+](Cc2ccccc2)C1 ZINC000638291611 480647549 /nfs/dbraw/zinc/64/75/49/480647549.db2.gz RBUZUSZPAHNCBA-FQEVSTJZSA-N 1 3 334.504 2.523 20 0 EFADHO CC(C)(C)[C@]1(CNCCOCCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000638291611 480647559 /nfs/dbraw/zinc/64/75/59/480647559.db2.gz RBUZUSZPAHNCBA-FQEVSTJZSA-N 1 3 334.504 2.523 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310094 480659957 /nfs/dbraw/zinc/65/99/57/480659957.db2.gz WABZSABXCPHNCD-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO CC(C)CC[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638310094 480659967 /nfs/dbraw/zinc/65/99/67/480659967.db2.gz WABZSABXCPHNCD-NEWSRXKRSA-N 1 3 331.504 2.777 20 0 EFADHO C[NH+](C)CCOc1cccc(CNCc2ccc3nccnc3c2)c1 ZINC000634954010 480660585 /nfs/dbraw/zinc/66/05/85/480660585.db2.gz PZYSXSYJOHHBJV-UHFFFAOYSA-N 1 3 336.439 2.860 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2)N(C)C ZINC000635851108 480666143 /nfs/dbraw/zinc/66/61/43/480666143.db2.gz QMCUUYDMBRZHHU-IEBWSBKVSA-N 1 3 343.515 2.978 20 0 EFADHO Nc1ccc(-c2cccc(CN3CCC(OCCC[NH3+])CC3)n2)cc1 ZINC000634991450 480678252 /nfs/dbraw/zinc/67/82/52/480678252.db2.gz DXZKZOXXPULBEX-UHFFFAOYSA-N 1 3 340.471 2.661 20 0 EFADHO CC(C)O[C@H](C[NH2+]C1CCN(CCN(C)C)CC1)c1ccccc1 ZINC000638356577 480681043 /nfs/dbraw/zinc/68/10/43/480681043.db2.gz RWWMOEUTUVXBMA-HXUWFJFHSA-N 1 3 333.520 2.768 20 0 EFADHO NCc1cn([C@@H]2CC[N@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000634999912 480681656 /nfs/dbraw/zinc/68/16/56/480681656.db2.gz CCGSGTSAXMKZJW-LJQANCHMSA-N 1 3 325.460 2.841 20 0 EFADHO NCc1cn([C@@H]2CC[N@@H+](Cc3cccc(C4CCCC4)c3)C2)nn1 ZINC000634999912 480681660 /nfs/dbraw/zinc/68/16/60/480681660.db2.gz CCGSGTSAXMKZJW-LJQANCHMSA-N 1 3 325.460 2.841 20 0 EFADHO CN1CCN(CCCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638358697 480682590 /nfs/dbraw/zinc/68/25/90/480682590.db2.gz AHLSDQDKZJINLS-ROUUACIJSA-N 1 3 337.552 2.730 20 0 EFADHO COc1cccc2c1CCC[C@@H]2Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635008831 480684899 /nfs/dbraw/zinc/68/48/99/480684899.db2.gz KVNCTIMSZFRQCM-SFHVURJKSA-N 1 3 338.455 2.989 20 0 EFADHO CCc1nc2c(s1)[C@@H](Nc1cc(N3CCNCC3)cc[nH+]1)CCC2 ZINC000635007684 480685649 /nfs/dbraw/zinc/68/56/49/480685649.db2.gz GGHPHBZKMQXVBX-AWEZNQCLSA-N 1 3 343.500 3.000 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CCOC1 ZINC000638362753 480685782 /nfs/dbraw/zinc/68/57/82/480685782.db2.gz DUCWIQHTOFUWIT-YLJYHZDGSA-N 1 3 332.488 2.956 20 0 EFADHO CO[C@@]1(CNCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CCOC1 ZINC000638362753 480685787 /nfs/dbraw/zinc/68/57/87/480685787.db2.gz DUCWIQHTOFUWIT-YLJYHZDGSA-N 1 3 332.488 2.956 20 0 EFADHO CC(=O)N1CC[C@H](N[C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc2C1 ZINC000635010128 480686439 /nfs/dbraw/zinc/68/64/39/480686439.db2.gz IXUKQYQIZBPMBS-HKUYNNGSSA-N 1 3 329.488 2.848 20 0 EFADHO CCc1nc(C)c([C@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)s1 ZINC000635011191 480686548 /nfs/dbraw/zinc/68/65/48/480686548.db2.gz YFNMOPLYKPQFGH-LBPRGKRZSA-N 1 3 331.489 2.992 20 0 EFADHO COc1ccc([C@@H](C)Nc2cc(N3CCNCC3)cc[nH+]2)cc1OC ZINC000635010670 480686802 /nfs/dbraw/zinc/68/68/02/480686802.db2.gz ULBDQYIUQKFBJR-CQSZACIVSA-N 1 3 342.443 2.682 20 0 EFADHO CO[C@H](c1ccccc1)[C@@H](C)Nc1cc(N2CCNCC2)cc[nH+]1 ZINC000635011106 480687238 /nfs/dbraw/zinc/68/72/38/480687238.db2.gz XOIWKPJCGYKPRS-BEFAXECRSA-N 1 3 326.444 2.679 20 0 EFADHO CC(=O)N1CC[C@@H](NCc2cccc3c2CC[NH2+]C3)c2ccccc2C1 ZINC000635012038 480688168 /nfs/dbraw/zinc/68/81/68/480688168.db2.gz SPGHKNJYOKVPEN-JOCHJYFZSA-N 1 3 349.478 2.915 20 0 EFADHO Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000635012651 480688530 /nfs/dbraw/zinc/68/85/30/480688530.db2.gz NAAFTYWZCXLFTB-OSAQELSMSA-N 1 3 327.266 2.599 20 0 EFADHO FC(F)(F)c1ccn(CCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000635013827 480690579 /nfs/dbraw/zinc/69/05/79/480690579.db2.gz WLBUPLYZFHWWDV-MGPQQGTHSA-N 1 3 330.398 2.802 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901942 480695048 /nfs/dbraw/zinc/69/50/48/480695048.db2.gz BQSNCFYRZNCOLG-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)C1 ZINC000635901942 480695050 /nfs/dbraw/zinc/69/50/50/480695050.db2.gz BQSNCFYRZNCOLG-RTBURBONSA-N 1 3 343.515 2.745 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)CC2(C)C)CC1 ZINC000635903253 480695326 /nfs/dbraw/zinc/69/53/26/480695326.db2.gz JJRNNGYBCSKHLG-GOSISDBHSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(CN2CC[C@@H](CN(C)C(=O)C3(C[NH+](C)C)CC3)C2)s1 ZINC000635908576 480698088 /nfs/dbraw/zinc/69/80/88/480698088.db2.gz KKPIGDXTKIRZBO-INIZCTEOSA-N 1 3 349.544 2.679 20 0 EFADHO CO[C@](C)(C[NH2+]CCCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000638386914 480700214 /nfs/dbraw/zinc/70/02/14/480700214.db2.gz SQKKELQNWUTYHC-OAQYLSRUSA-N 1 3 345.531 2.994 20 0 EFADHO CCCNC(=O)CCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638402469 480707162 /nfs/dbraw/zinc/70/71/62/480707162.db2.gz OBUGNMHLABJIBC-PKOBYXMFSA-N 1 3 329.488 2.860 20 0 EFADHO CCCNC(=O)CCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638402469 480707164 /nfs/dbraw/zinc/70/71/64/480707164.db2.gz OBUGNMHLABJIBC-PKOBYXMFSA-N 1 3 329.488 2.860 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)Cc1ccco1 ZINC000635925363 480707464 /nfs/dbraw/zinc/70/74/64/480707464.db2.gz LSDRTYRVEFPJAB-SFHVURJKSA-N 1 3 333.476 2.577 20 0 EFADHO CN(CCCN(C)C(=O)[C@@H]1CC[N@H+]1C1CCCC1)Cc1ccco1 ZINC000635925363 480707466 /nfs/dbraw/zinc/70/74/66/480707466.db2.gz LSDRTYRVEFPJAB-SFHVURJKSA-N 1 3 333.476 2.577 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1Cc1ccccc1 ZINC000635935599 480713628 /nfs/dbraw/zinc/71/36/28/480713628.db2.gz NHLYOYRDHHGEMG-MJGOQNOKSA-N 1 3 341.499 2.642 20 0 EFADHO C[C@H](COc1ccc(F)cc1F)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638420046 480715772 /nfs/dbraw/zinc/71/57/72/480715772.db2.gz KSIWYSVLONLPLF-CYBMUJFWSA-N 1 3 342.430 2.557 20 0 EFADHO COc1ccc([C@@H](NC2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)cn1 ZINC000624347265 480719436 /nfs/dbraw/zinc/71/94/36/480719436.db2.gz AJKVSMBILCZIKU-QUCCMNQESA-N 1 3 345.487 2.774 20 0 EFADHO CCCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645165674 480725566 /nfs/dbraw/zinc/72/55/66/480725566.db2.gz OICOIEVIVFYQPU-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CCCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCN(C)C1 ZINC000645165674 480725571 /nfs/dbraw/zinc/72/55/71/480725571.db2.gz OICOIEVIVFYQPU-ROUUACIJSA-N 1 3 338.540 2.624 20 0 EFADHO CO[C@@H](C[NH2+]CC1CCN(Cc2cccs2)CC1)[C@@H]1CCOC1 ZINC000638453902 480734057 /nfs/dbraw/zinc/73/40/57/480734057.db2.gz BBAGVBKYTJQVCM-AEFFLSMTSA-N 1 3 338.517 2.601 20 0 EFADHO CN(CCC(C)(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000645204987 480742761 /nfs/dbraw/zinc/74/27/61/480742761.db2.gz FYHMIPQVYCWKOK-UHFFFAOYSA-N 1 3 338.540 2.623 20 0 EFADHO CCCN(C(=O)NCc1cccc(C[N@H+](C)CC)c1)[C@H]1CCN(C)C1 ZINC000645227871 480751588 /nfs/dbraw/zinc/75/15/88/480751588.db2.gz IBYWJUZFMDJAFX-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO CCCN(C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[C@H]1CCN(C)C1 ZINC000645227871 480751594 /nfs/dbraw/zinc/75/15/94/480751594.db2.gz IBYWJUZFMDJAFX-IBGZPJMESA-N 1 3 346.519 2.764 20 0 EFADHO COCCN(C)CCOc1cccc(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000638503577 480755565 /nfs/dbraw/zinc/75/55/65/480755565.db2.gz SEKCXQQTLQFTLP-NVXWUHKLSA-N 1 3 338.517 2.627 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506759 480758453 /nfs/dbraw/zinc/75/84/53/480758453.db2.gz YPALFGALSHJIEU-MRXNPFEDSA-N 1 3 327.428 2.509 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[N@H+](C)CC)c2)[C@]12CCCO2 ZINC000638564194 480781961 /nfs/dbraw/zinc/78/19/61/480781961.db2.gz WMKNNFOURZKLBZ-VAMGGRTRSA-N 1 3 332.488 2.955 20 0 EFADHO CCO[C@@H]1C[C@@H](NCc2cccc(C[N@@H+](C)CC)c2)[C@]12CCCO2 ZINC000638564194 480781969 /nfs/dbraw/zinc/78/19/69/480781969.db2.gz WMKNNFOURZKLBZ-VAMGGRTRSA-N 1 3 332.488 2.955 20 0 EFADHO CO[C@@]1(CNCc2cccc(C[NH+]3CCC(C)CC3)c2)CCOC1 ZINC000638567192 480783707 /nfs/dbraw/zinc/78/37/07/480783707.db2.gz JKITUDQZNPDXDO-HXUWFJFHSA-N 1 3 332.488 2.814 20 0 EFADHO C[C@@H]([NH3+])CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000645332334 480798092 /nfs/dbraw/zinc/79/80/92/480798092.db2.gz RVVCMBNENWOPND-OAHLLOKOSA-N 1 3 325.456 2.769 20 0 EFADHO C[C@H]([NH3+])CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000645332333 480798297 /nfs/dbraw/zinc/79/82/97/480798297.db2.gz RVVCMBNENWOPND-HNNXBMFYSA-N 1 3 325.456 2.769 20 0 EFADHO OC[C@@H]1CCC[N@@H+]1CCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638620185 480801171 /nfs/dbraw/zinc/80/11/71/480801171.db2.gz QAMYHKABDQDTAE-INIZCTEOSA-N 1 3 349.425 2.840 20 0 EFADHO OC[C@@H]1CCC[N@H+]1CCCCNCc1ccc2ccc(F)c(F)c2n1 ZINC000638620185 480801175 /nfs/dbraw/zinc/80/11/75/480801175.db2.gz QAMYHKABDQDTAE-INIZCTEOSA-N 1 3 349.425 2.840 20 0 EFADHO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546954 480812433 /nfs/dbraw/zinc/81/24/33/480812433.db2.gz NQOVTZKUSPDNSN-GUDVDZBRSA-N 1 3 348.535 2.662 20 0 EFADHO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000624546954 480812437 /nfs/dbraw/zinc/81/24/37/480812437.db2.gz NQOVTZKUSPDNSN-GUDVDZBRSA-N 1 3 348.535 2.662 20 0 EFADHO COC[C@@H](CCO)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638651598 480812713 /nfs/dbraw/zinc/81/27/13/480812713.db2.gz XZFCKVPYYQTPPQ-TZIWHRDSSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@H](CCO)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638651598 480812717 /nfs/dbraw/zinc/81/27/17/480812717.db2.gz XZFCKVPYYQTPPQ-TZIWHRDSSA-N 1 3 348.531 2.912 20 0 EFADHO COC[C@@H](CCO)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638651598 480812724 /nfs/dbraw/zinc/81/27/24/480812724.db2.gz XZFCKVPYYQTPPQ-TZIWHRDSSA-N 1 3 348.531 2.912 20 0 EFADHO C[NH2+]Cc1cccc(NC(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 ZINC000632949179 480816957 /nfs/dbraw/zinc/81/69/57/480816957.db2.gz BRVPWHAUBIGBEU-UHFFFAOYSA-N 1 3 342.447 2.513 20 0 EFADHO C[NH2+]Cc1ccccc1NC(=O)Nc1cnn(C2CCN(C)CC2)c1 ZINC000632949568 480817329 /nfs/dbraw/zinc/81/73/29/480817329.db2.gz TXTPIKXWTBUCGG-UHFFFAOYSA-N 1 3 342.447 2.513 20 0 EFADHO CO[C@@](C)(C[NH2+]Cc1ccccc1CN1CCC(O)CC1)C1CC1 ZINC000638721032 480841339 /nfs/dbraw/zinc/84/13/39/480841339.db2.gz WBFQNPUHLANWEL-FQEVSTJZSA-N 1 3 332.488 2.548 20 0 EFADHO C[C@@H](CC(N)=O)[NH2+]C[C@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000638760338 480854618 /nfs/dbraw/zinc/85/46/18/480854618.db2.gz OMPLUUXZFSUKEV-OXJNMPFZSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H](CC(N)=O)NC[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000638760338 480854623 /nfs/dbraw/zinc/85/46/23/480854623.db2.gz OMPLUUXZFSUKEV-OXJNMPFZSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@@H](CC(N)=O)NC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638760338 480854628 /nfs/dbraw/zinc/85/46/28/480854628.db2.gz OMPLUUXZFSUKEV-OXJNMPFZSA-N 1 3 331.504 2.778 20 0 EFADHO C[C@H](N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000638762018 480856156 /nfs/dbraw/zinc/85/61/56/480856156.db2.gz PSXYRXJUVLHFQI-RCVZYCBYSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H](N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000638762018 480856161 /nfs/dbraw/zinc/85/61/61/480856161.db2.gz PSXYRXJUVLHFQI-RCVZYCBYSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000641180942 480858204 /nfs/dbraw/zinc/85/82/04/480858204.db2.gz IWBUKVHHOOSXEU-BHIYHBOVSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)[C@H](CNC(=O)[C@H]1CNCc2ccccc21)[NH+]1CCC(C)CC1 ZINC000645479911 480860289 /nfs/dbraw/zinc/86/02/89/480860289.db2.gz KWNVEMBIOUPMCZ-PMACEKPBSA-N 1 3 343.515 2.746 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000641226965 480875263 /nfs/dbraw/zinc/87/52/63/480875263.db2.gz IQQUPXJMSPETIJ-MSOLQXFVSA-N 1 3 344.503 2.562 20 0 EFADHO CN1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000641226967 480876151 /nfs/dbraw/zinc/87/61/51/480876151.db2.gz IQQUPXJMSPETIJ-QZTJIDSGSA-N 1 3 344.503 2.562 20 0 EFADHO CC(C)(O)C[NH+]1CCC(N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000638807104 480877619 /nfs/dbraw/zinc/87/76/19/480877619.db2.gz PHTBLGKGFYWNAD-XLIONFOSSA-N 1 3 346.515 2.979 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000633092736 480878952 /nfs/dbraw/zinc/87/89/52/480878952.db2.gz LQHYIDXLFIWZSK-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3NCC3(C)C)cc2)C1 ZINC000645526110 480880919 /nfs/dbraw/zinc/88/09/19/480880919.db2.gz DLPAQWBARNNYAA-GPMSIDNRSA-N 1 3 343.515 2.779 20 0 EFADHO CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000633109571 480883659 /nfs/dbraw/zinc/88/36/59/480883659.db2.gz PBZKYTJCBNQMMG-AEFFLSMTSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833669 480889499 /nfs/dbraw/zinc/88/94/99/480889499.db2.gz ASHZPEAGZADEJM-FUHWJXTLSA-N 1 3 329.488 2.532 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C1(N)CCCCC1 ZINC000638833669 480889501 /nfs/dbraw/zinc/88/95/01/480889501.db2.gz ASHZPEAGZADEJM-FUHWJXTLSA-N 1 3 329.488 2.532 20 0 EFADHO [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC000638852280 480897474 /nfs/dbraw/zinc/89/74/74/480897474.db2.gz WZGUERCZQXHUSW-RBUKOAKNSA-N 1 3 327.472 2.595 20 0 EFADHO CC1CCN([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000645682981 480913726 /nfs/dbraw/zinc/91/37/26/480913726.db2.gz ASPGAELBWUWZOZ-MSOLQXFVSA-N 1 3 329.488 2.574 20 0 EFADHO CO[C@H](CNCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC(C)C ZINC000638970690 480922182 /nfs/dbraw/zinc/92/21/82/480922182.db2.gz NLUOCKXKRHXXQX-UXHICEINSA-N 1 3 334.504 2.794 20 0 EFADHO CO[C@H](CNCc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC(C)C ZINC000638970690 480922186 /nfs/dbraw/zinc/92/21/86/480922186.db2.gz NLUOCKXKRHXXQX-UXHICEINSA-N 1 3 334.504 2.794 20 0 EFADHO Cc1ccc(CN2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000639005872 480929082 /nfs/dbraw/zinc/92/90/82/480929082.db2.gz PTKMHYISKSBGNF-RAFMOHDBSA-N 1 3 341.499 2.606 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C2)cc1 ZINC000639005848 480929267 /nfs/dbraw/zinc/92/92/67/480929267.db2.gz PIKAOVSITMNHSR-BJLQDIEVSA-N 1 3 329.488 2.593 20 0 EFADHO COC[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccc(Cl)cc1 ZINC000639113232 480959361 /nfs/dbraw/zinc/95/93/61/480959361.db2.gz LKXWPZYZNABDPL-KRWDZBQOSA-N 1 3 340.895 2.852 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)N1 ZINC000639114792 480961265 /nfs/dbraw/zinc/96/12/65/480961265.db2.gz HIFJCBWESILTFN-LMMKCTJWSA-N 1 3 327.472 2.613 20 0 EFADHO O=C1CCC[C@H](CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)N1 ZINC000639114792 480961274 /nfs/dbraw/zinc/96/12/74/480961274.db2.gz HIFJCBWESILTFN-LMMKCTJWSA-N 1 3 327.472 2.613 20 0 EFADHO CN(C)CCOc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000647489021 480963380 /nfs/dbraw/zinc/96/33/80/480963380.db2.gz JUUUSXNAFNWQEH-PMACEKPBSA-N 1 3 331.504 2.734 20 0 EFADHO COc1cccc(-c2n[nH]cc2CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000647511934 480971112 /nfs/dbraw/zinc/97/11/12/480971112.db2.gz UCIBHGGIXOIHGJ-BMGDILEWSA-N 1 3 326.444 2.645 20 0 EFADHO CO[C@]1(CO)CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000661386818 480978186 /nfs/dbraw/zinc/97/81/86/480978186.db2.gz FCBNDYPUMIOFQM-HXUWFJFHSA-N 1 3 332.488 2.646 20 0 EFADHO COc1ccc(C)cc1CN1CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666616100 480983784 /nfs/dbraw/zinc/98/37/84/480983784.db2.gz OOBBZEQCUNOBCH-QZTJIDSGSA-N 1 3 331.504 2.509 20 0 EFADHO CC(C)[C@H]1CN(Cc2ccccc2N(C)C2CCN(C)CC2)CC[NH2+]1 ZINC000647531555 480985488 /nfs/dbraw/zinc/98/54/88/480985488.db2.gz DRYJSGWFKTVQFE-HXUWFJFHSA-N 1 3 344.547 2.647 20 0 EFADHO Nc1ncc(CN2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000647532565 480986061 /nfs/dbraw/zinc/98/60/61/480986061.db2.gz DDGGQWMLAQLMIN-NVXWUHKLSA-N 1 3 330.501 2.897 20 0 EFADHO c1cc(N2CCCC2)ncc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543048 480990535 /nfs/dbraw/zinc/99/05/35/480990535.db2.gz GXVOBSASGXPAFJ-RTBURBONSA-N 1 3 328.504 2.893 20 0 EFADHO Cc1ccc(-c2nn(C)cc2CN2CCC([C@H]3CC[NH2+]C3)CC2)o1 ZINC000647542069 480990695 /nfs/dbraw/zinc/99/06/95/480990695.db2.gz PIUCTFLYJHACTI-INIZCTEOSA-N 1 3 328.460 2.810 20 0 EFADHO CC(C)c1nn(C)c(N(C)C)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543374 480992672 /nfs/dbraw/zinc/99/26/72/480992672.db2.gz LZAVGHQYVBAECC-IAGOWNOFSA-N 1 3 347.551 2.821 20 0 EFADHO Cn1c2ccc(CN3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc2sc1=O ZINC000647544048 480993773 /nfs/dbraw/zinc/99/37/73/480993773.db2.gz VUXLBAJSFUNGAH-JKSUJKDBSA-N 1 3 345.512 2.812 20 0 EFADHO COc1cc(OC)c(OC)cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543587 480993806 /nfs/dbraw/zinc/99/38/06/480993806.db2.gz PWQZHTPXIQWBFF-HZPDHXFCSA-N 1 3 348.487 2.924 20 0 EFADHO Cn1c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc2ccccc21 ZINC000639170749 481014151 /nfs/dbraw/zinc/01/41/51/481014151.db2.gz XCHORTHDBRGMCS-UHFFFAOYSA-N 1 3 340.515 2.638 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nc2ccccc2o1 ZINC000639171010 481014234 /nfs/dbraw/zinc/01/42/34/481014234.db2.gz NWEDIJIHIJNJCJ-INIZCTEOSA-N 1 3 330.476 2.676 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1nc2ccccc2o1 ZINC000639171010 481014240 /nfs/dbraw/zinc/01/42/40/481014240.db2.gz NWEDIJIHIJNJCJ-INIZCTEOSA-N 1 3 330.476 2.676 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666660504 481017027 /nfs/dbraw/zinc/01/70/27/481017027.db2.gz OMIIUTBRRQHCPB-FUHWJXTLSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666660504 481017036 /nfs/dbraw/zinc/01/70/36/481017036.db2.gz OMIIUTBRRQHCPB-FUHWJXTLSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000666660506 481018231 /nfs/dbraw/zinc/01/82/31/481018231.db2.gz OMIIUTBRRQHCPB-WMZOPIPTSA-N 1 3 336.524 2.518 20 0 EFADHO CC(C)N1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000666660506 481018236 /nfs/dbraw/zinc/01/82/36/481018236.db2.gz OMIIUTBRRQHCPB-WMZOPIPTSA-N 1 3 336.524 2.518 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCN3CCCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000639176379 481019326 /nfs/dbraw/zinc/01/93/26/481019326.db2.gz WMANDLHVBQIFFL-FPOVZHCZSA-N 1 3 343.515 2.666 20 0 EFADHO c1ccc([C@@H]2C[C@@H](NCCN3CCCOCC3)CC[N@H+]2C2CC2)cc1 ZINC000639176379 481019330 /nfs/dbraw/zinc/01/93/30/481019330.db2.gz WMANDLHVBQIFFL-FPOVZHCZSA-N 1 3 343.515 2.666 20 0 EFADHO C[C@H](CCNC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1)[NH+](C)C ZINC000664110231 481027421 /nfs/dbraw/zinc/02/74/21/481027421.db2.gz UUVGIJJERKPDSZ-CVEARBPZSA-N 1 3 334.508 2.755 20 0 EFADHO CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000669279363 481030111 /nfs/dbraw/zinc/03/01/11/481030111.db2.gz CMNGSCKFLNJWBF-CVEARBPZSA-N 1 3 338.521 2.572 20 0 EFADHO CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccsc1 ZINC000669279437 481031726 /nfs/dbraw/zinc/03/17/26/481031726.db2.gz IYCVBQSTMVVUNY-JKSUJKDBSA-N 1 3 338.521 2.572 20 0 EFADHO C[C@@H](CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[NH+](C)C ZINC000664127628 481038823 /nfs/dbraw/zinc/03/88/23/481038823.db2.gz VLZZFFYCJPTKEY-HKUYNNGSSA-N 1 3 346.519 2.853 20 0 EFADHO C[C@H](NCC(=O)NCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000639207075 481045560 /nfs/dbraw/zinc/04/55/60/481045560.db2.gz VFFFFHGEEGPFMR-YESZJQIVSA-N 1 3 349.544 2.822 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774054 481066366 /nfs/dbraw/zinc/06/63/66/481066366.db2.gz BHJVYVSCRQWXJZ-MOPGFXCFSA-N 1 3 329.488 2.705 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H](c2ccccc2)C2CCC2)C1 ZINC000641774054 481066368 /nfs/dbraw/zinc/06/63/68/481066368.db2.gz BHJVYVSCRQWXJZ-MOPGFXCFSA-N 1 3 329.488 2.705 20 0 EFADHO Cc1cc(Br)ccc1[C@@H](C)[NH2+]CC1(O)CCN(C)CC1 ZINC000641774259 481066459 /nfs/dbraw/zinc/06/64/59/481066459.db2.gz NWPYZWPROXIYTC-CYBMUJFWSA-N 1 3 341.293 2.865 20 0 EFADHO C[C@@H](C[NH2+]CC1(N2CCOCC2)CCN(C)CC1)C1CCCCC1 ZINC000639260813 481075929 /nfs/dbraw/zinc/07/59/29/481075929.db2.gz GKELBNTVPGQVEN-SFHVURJKSA-N 1 3 337.552 2.589 20 0 EFADHO Cc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](O)CN1CCCC1 ZINC000641789256 481078275 /nfs/dbraw/zinc/07/82/75/481078275.db2.gz MQIRCJLNNUCLOB-HIFRSBDPSA-N 1 3 341.293 2.865 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000661504210 481078376 /nfs/dbraw/zinc/07/83/76/481078376.db2.gz BZFJBYVQYHEDGR-XYJFISCASA-N 1 3 348.535 2.518 20 0 EFADHO CC(C)(C)N1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000661504210 481078381 /nfs/dbraw/zinc/07/83/81/481078381.db2.gz BZFJBYVQYHEDGR-XYJFISCASA-N 1 3 348.535 2.518 20 0 EFADHO CN(C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650415719 481083125 /nfs/dbraw/zinc/08/31/25/481083125.db2.gz ATODGTYXYIDLKA-UHFFFAOYSA-N 1 3 336.505 2.558 20 0 EFADHO O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653106868 481083275 /nfs/dbraw/zinc/08/32/75/481083275.db2.gz OTTZOZVMPCWZTC-UXHICEINSA-N 1 3 341.499 2.819 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000653109934 481084925 /nfs/dbraw/zinc/08/49/25/481084925.db2.gz RZEKZRUCQCDRTR-MOPGFXCFSA-N 1 3 329.488 2.720 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653116595 481090246 /nfs/dbraw/zinc/09/02/46/481090246.db2.gz MOLRSTLPBFUIPU-NEWSRXKRSA-N 1 3 329.488 2.545 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000653119230 481092030 /nfs/dbraw/zinc/09/20/30/481092030.db2.gz BVQQWTNRZWWJRR-RLLQIKCJSA-N 1 3 343.515 2.888 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000646106382 481094966 /nfs/dbraw/zinc/09/49/66/481094966.db2.gz WPKFHDPOKZFYTP-QZTJIDSGSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N(C)CCCC[NH+]2CCCCC2)CN1C1CC1 ZINC000641812778 481096856 /nfs/dbraw/zinc/09/68/56/481096856.db2.gz SFHWUCZANUQTMY-IAGOWNOFSA-N 1 3 336.524 2.519 20 0 EFADHO CC1CCN([C@@H](CNC(=O)NCC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000669402636 481097865 /nfs/dbraw/zinc/09/78/65/481097865.db2.gz WDBVRXYONAIOFA-IBGZPJMESA-N 1 3 344.503 2.511 20 0 EFADHO CC[C@@H]1CN(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)CC[C@H]1[NH3+] ZINC000669405642 481099565 /nfs/dbraw/zinc/09/95/65/481099565.db2.gz ADXPGSGUBYYNGJ-QFHJOOASSA-N 1 3 344.503 2.591 20 0 EFADHO C[C@@H](NC(=O)N(C)CCCC[NH+]1CCCCC1)C1=CCN(C)CC1 ZINC000641822179 481103566 /nfs/dbraw/zinc/10/35/66/481103566.db2.gz WSMBZXVSDIUHGD-QGZVFWFLSA-N 1 3 336.524 2.544 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000669418997 481108176 /nfs/dbraw/zinc/10/81/76/481108176.db2.gz RWJRQLUXHFUHDE-CIRFHOKZSA-N 1 3 333.545 2.998 20 0 EFADHO CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000669420475 481109452 /nfs/dbraw/zinc/10/94/52/481109452.db2.gz MSFZPCYMDBHLQB-SFHVURJKSA-N 1 3 346.519 2.715 20 0 EFADHO C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)[C@H](C)CN1 ZINC000669483718 481150187 /nfs/dbraw/zinc/15/01/87/481150187.db2.gz JWENQQYNTYXOLF-LMMKCTJWSA-N 1 3 344.503 2.605 20 0 EFADHO C[C@@]1(C[NH3+])CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC000669483551 481150438 /nfs/dbraw/zinc/15/04/38/481150438.db2.gz AYTREBJRDXEJCD-QUCCMNQESA-N 1 3 344.503 2.594 20 0 EFADHO O=C(NCCC[NH2+]C1CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483684 481151045 /nfs/dbraw/zinc/15/10/45/481151045.db2.gz HVGVNKJFMJAKCY-LJQANCHMSA-N 1 3 344.503 2.655 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[NH2+]1 ZINC000669483654 481151184 /nfs/dbraw/zinc/15/11/84/481151184.db2.gz GENMTHOHOCRGKX-NEWSRXKRSA-N 1 3 344.503 2.653 20 0 EFADHO O=C(NCC1CC[NH2+]CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483682 481151265 /nfs/dbraw/zinc/15/12/65/481151265.db2.gz HNHHVDSHVTWNDD-LJQANCHMSA-N 1 3 344.503 2.512 20 0 EFADHO O=C(c1ccc(F)cc1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647874808 481151269 /nfs/dbraw/zinc/15/12/69/481151269.db2.gz ANGSPNNPNXWHIX-UHFFFAOYSA-N 1 3 347.478 2.753 20 0 EFADHO Cc1cccc(C(=O)N2CCCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000647874852 481151293 /nfs/dbraw/zinc/15/12/93/481151293.db2.gz DLYIILANWOBQFM-UHFFFAOYSA-N 1 3 343.515 2.923 20 0 EFADHO O=C(CC1CCCC1)N1CCCN(CCCC2CC[NH2+]CC2)CC1 ZINC000647875000 481151401 /nfs/dbraw/zinc/15/14/01/481151401.db2.gz QHWHQKITMQQEDX-UHFFFAOYSA-N 1 3 335.536 2.881 20 0 EFADHO CO[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359174 481151929 /nfs/dbraw/zinc/15/19/29/481151929.db2.gz IKJMFJZWJHAXBQ-IOMROCGXSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359174 481151934 /nfs/dbraw/zinc/15/19/34/481151934.db2.gz IKJMFJZWJHAXBQ-IOMROCGXSA-N 1 3 346.515 2.786 20 0 EFADHO CO[C@H](CNC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CCOCC1 ZINC000639359174 481151941 /nfs/dbraw/zinc/15/19/41/481151941.db2.gz IKJMFJZWJHAXBQ-IOMROCGXSA-N 1 3 346.515 2.786 20 0 EFADHO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCCNCC2)CC1 ZINC000666857827 481151982 /nfs/dbraw/zinc/15/19/82/481151982.db2.gz KRZDRZANFKRPIB-CQSZACIVSA-N 1 3 335.879 2.676 20 0 EFADHO CC1(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC[NH2+]CC1 ZINC000669483964 481152736 /nfs/dbraw/zinc/15/27/36/481152736.db2.gz VXISRXVEAJMAGY-GOSISDBHSA-N 1 3 344.503 2.655 20 0 EFADHO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000669483987 481153302 /nfs/dbraw/zinc/15/33/02/481153302.db2.gz WTOUYJSLPHVUJI-RTBURBONSA-N 1 3 346.519 2.886 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2CCC(C)([NH3+])CC2)CC1 ZINC000669486882 481154742 /nfs/dbraw/zinc/15/47/42/481154742.db2.gz JNUMENGXERMWLE-MRXNPFEDSA-N 1 3 344.503 2.735 20 0 EFADHO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CCCC2CC[NH2+]CC2)C1 ZINC000647882826 481155450 /nfs/dbraw/zinc/15/54/50/481155450.db2.gz CFMXCYKPBVUGPW-SFHVURJKSA-N 1 3 348.466 2.801 20 0 EFADHO COCCN(CCCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000647884955 481155687 /nfs/dbraw/zinc/15/56/87/481155687.db2.gz QLQPLNICHMZSJL-UHFFFAOYSA-N 1 3 334.460 2.644 20 0 EFADHO CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000669510432 481172063 /nfs/dbraw/zinc/17/20/63/481172063.db2.gz HRACGDRHATZOJA-WOJBJXKFSA-N 1 3 339.483 2.886 20 0 EFADHO CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000669510430 481172140 /nfs/dbraw/zinc/17/21/40/481172140.db2.gz HRACGDRHATZOJA-UXHICEINSA-N 1 3 339.483 2.886 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)N2CCC(C)([NH3+])CC2)CCN1Cc1ccccc1 ZINC000669521790 481177541 /nfs/dbraw/zinc/17/75/41/481177541.db2.gz XJIOKQYTRCXBCW-SJLPKXTDSA-N 1 3 344.503 2.562 20 0 EFADHO N[C@@H](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)Cc1ccccc1 ZINC000669521357 481178407 /nfs/dbraw/zinc/17/84/07/481178407.db2.gz UHPZDKNQBQUNNX-OAHLLOKOSA-N 1 3 344.484 2.509 20 0 EFADHO Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cc1=O ZINC000647933778 481192668 /nfs/dbraw/zinc/19/26/68/481192668.db2.gz LYVYLEBYRCOEIU-VQTJNVASSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@H](CN)Cc2ccccc2)cc1=O ZINC000647933778 481192673 /nfs/dbraw/zinc/19/26/73/481192673.db2.gz LYVYLEBYRCOEIU-VQTJNVASSA-N 1 3 339.483 2.557 20 0 EFADHO Cn1ccc(CN2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1=O ZINC000647933778 481192677 /nfs/dbraw/zinc/19/26/77/481192677.db2.gz LYVYLEBYRCOEIU-VQTJNVASSA-N 1 3 339.483 2.557 20 0 EFADHO CC[C@@H]1CN(CCC(=O)N[C@@H]2CCCc3ccccc32)CC[C@H]1[NH3+] ZINC000647937950 481197217 /nfs/dbraw/zinc/19/72/17/481197217.db2.gz FMYGWTWGVMPGRX-ATZDWAIDSA-N 1 3 329.488 2.630 20 0 EFADHO CC[C@H]1CN(CCC(=O)Nc2cc(Cl)ccc2OC)CC[C@@H]1[NH3+] ZINC000647939019 481199441 /nfs/dbraw/zinc/19/94/41/481199441.db2.gz ZEJRZCWWLNJCKV-JSGCOSHPSA-N 1 3 339.867 2.736 20 0 EFADHO CC[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2F)CC[C@@H]1[NH3+] ZINC000647938748 481200591 /nfs/dbraw/zinc/20/05/91/481200591.db2.gz SZMXXESZFLOYBO-FZMZJTMJSA-N 1 3 327.831 2.867 20 0 EFADHO CC1([NH3+])CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000669579954 481223935 /nfs/dbraw/zinc/22/39/35/481223935.db2.gz PHPFMIHUMWZJNC-UHFFFAOYSA-N 1 3 336.524 2.556 20 0 EFADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1cccc(Cl)c1 ZINC000647974890 481225620 /nfs/dbraw/zinc/22/56/20/481225620.db2.gz AMVYLONNIYGXLM-IRXDYDNUSA-N 1 3 349.906 2.668 20 0 EFADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccc(Cl)cc1 ZINC000647975022 481226096 /nfs/dbraw/zinc/22/60/96/481226096.db2.gz HSJGLYLINBJOKW-IAGOWNOFSA-N 1 3 349.906 2.668 20 0 EFADHO C[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)[C@H]1C ZINC000647975275 481228640 /nfs/dbraw/zinc/22/86/40/481228640.db2.gz UIUZRNWPYMBYIH-LFDJNIOPSA-N 1 3 335.536 2.639 20 0 EFADHO O=c1[nH]c(CCN2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccc21 ZINC000647978003 481232881 /nfs/dbraw/zinc/23/28/81/481232881.db2.gz KWBAKLSPUYFNAW-HOTGVXAUSA-N 1 3 340.471 2.590 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000647977191 481233654 /nfs/dbraw/zinc/23/36/54/481233654.db2.gz YYSCYCWSYXDUHF-RAUXBKROSA-N 1 3 343.515 2.964 20 0 EFADHO O=C1Nc2ccccc2CC[C@@H]1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978200 481234407 /nfs/dbraw/zinc/23/44/07/481234407.db2.gz OIJLDOGFJRPQQX-AOIWGVFYSA-N 1 3 327.472 2.652 20 0 EFADHO FC(F)C(F)(F)COCCN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977668 481234467 /nfs/dbraw/zinc/23/44/67/481234467.db2.gz FXHFTAMXEXKMIZ-STQMWFEESA-N 1 3 326.378 2.615 20 0 EFADHO CC(C)COC[C@H](O)CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642713069 481251970 /nfs/dbraw/zinc/25/19/70/481251970.db2.gz FNFAQQPAQPKQNH-LJQANCHMSA-N 1 3 326.525 2.608 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000646379952 481263326 /nfs/dbraw/zinc/26/33/26/481263326.db2.gz WAHDHNWQTNYHKW-RBUKOAKNSA-N 1 3 329.488 2.600 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](c4cccnc4)C3)C2)CC1 ZINC000669682049 481265660 /nfs/dbraw/zinc/26/56/60/481265660.db2.gz POYKMNHPPWDMCU-RLLQIKCJSA-N 1 3 342.531 2.866 20 0 EFADHO CN1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](c4cccnc4)C3)C2)CC1 ZINC000669682050 481265902 /nfs/dbraw/zinc/26/59/02/481265902.db2.gz POYKMNHPPWDMCU-SXLOBPIMSA-N 1 3 342.531 2.866 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000669690762 481267900 /nfs/dbraw/zinc/26/79/00/481267900.db2.gz XXUWIHNSXKVMJZ-HXUWFJFHSA-N 1 3 331.504 2.945 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000669690762 481267909 /nfs/dbraw/zinc/26/79/09/481267909.db2.gz XXUWIHNSXKVMJZ-HXUWFJFHSA-N 1 3 331.504 2.945 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3cccc4c3OCCCO4)C2)C1 ZINC000650706274 481275737 /nfs/dbraw/zinc/27/57/37/481275737.db2.gz HSNIOLMNDAJVKM-SZVBFZGTSA-N 1 3 346.471 2.566 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(Cc3cnn(-c4ccccc4)c3)C2)C1 ZINC000650706728 481275993 /nfs/dbraw/zinc/27/59/93/481275993.db2.gz ROTBCONUMVJLSI-GGPKGHCWSA-N 1 3 340.471 2.591 20 0 EFADHO COc1ccccc1/C=C\CN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706086 481276479 /nfs/dbraw/zinc/27/64/79/481276479.db2.gz CXKMQZLITRTYEJ-SKOUGULPSA-N 1 3 330.472 2.927 20 0 EFADHO Cc1ccc(-c2n[nH]cc2CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000650708291 481278620 /nfs/dbraw/zinc/27/86/20/481278620.db2.gz WZWLTSVUTQRAQD-YXJHDRRASA-N 1 3 344.459 2.696 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(OC[C@H]3CCCO3)cc1)C2 ZINC000650708597 481278652 /nfs/dbraw/zinc/27/86/52/481278652.db2.gz GLSHRLKELXKGQV-SXLOBPIMSA-N 1 3 330.472 2.805 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC[C@H]3CCCO3)cc1)C2 ZINC000650708597 481278663 /nfs/dbraw/zinc/27/86/63/481278663.db2.gz GLSHRLKELXKGQV-SXLOBPIMSA-N 1 3 330.472 2.805 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC[C@H]3CCCO3)cc1)C2 ZINC000650708597 481278668 /nfs/dbraw/zinc/27/86/68/481278668.db2.gz GLSHRLKELXKGQV-SXLOBPIMSA-N 1 3 330.472 2.805 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000650708232 481279357 /nfs/dbraw/zinc/27/93/57/481279357.db2.gz WAAFKZZCNUSJOS-IAOVAPTHSA-N 1 3 346.500 2.857 20 0 EFADHO CC[N@@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CNc2ccnn2C1 ZINC000648034787 481280987 /nfs/dbraw/zinc/28/09/87/481280987.db2.gz GIHAISAIPWNPLS-SFHVURJKSA-N 1 3 327.476 2.509 20 0 EFADHO CC[N@H+](Cc1ccc(CN(C)C)cc1)C[C@@H]1CNc2ccnn2C1 ZINC000648034787 481280992 /nfs/dbraw/zinc/28/09/92/481280992.db2.gz GIHAISAIPWNPLS-SFHVURJKSA-N 1 3 327.476 2.509 20 0 EFADHO O=C(N[C@@H](CN1CCCCC1)c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000646410235 481281676 /nfs/dbraw/zinc/28/16/76/481281676.db2.gz ZJOSGAORTKKZOL-MOPGFXCFSA-N 1 3 341.499 2.720 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000664490573 481286176 /nfs/dbraw/zinc/28/61/76/481286176.db2.gz OWRLDDADHWPUHC-SFHVURJKSA-N 1 3 344.503 2.992 20 0 EFADHO CN(C)Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000664490573 481286185 /nfs/dbraw/zinc/28/61/85/481286185.db2.gz OWRLDDADHWPUHC-SFHVURJKSA-N 1 3 344.503 2.992 20 0 EFADHO Cc1cccn2c(CN3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)cnc12 ZINC000650722911 481288512 /nfs/dbraw/zinc/28/85/12/481288512.db2.gz DLFKWJQVJZAVGZ-JQHSSLGASA-N 1 3 328.460 2.504 20 0 EFADHO Cc1cccn2c(CN3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)cnc12 ZINC000650722910 481289389 /nfs/dbraw/zinc/28/93/89/481289389.db2.gz DLFKWJQVJZAVGZ-CGTJXYLNSA-N 1 3 328.460 2.504 20 0 EFADHO CC(=O)Nc1ccc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650721777 481290629 /nfs/dbraw/zinc/29/06/29/481290629.db2.gz BBPDICCWXJGYSP-BHIYHBOVSA-N 1 3 331.460 2.506 20 0 EFADHO Cc1cccc2ncc(CN3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)n21 ZINC000650723797 481291256 /nfs/dbraw/zinc/29/12/56/481291256.db2.gz UEAQEHRVCDYARY-NXHRZFHOSA-N 1 3 328.460 2.504 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000643083050 481309352 /nfs/dbraw/zinc/30/93/52/481309352.db2.gz MFWDJASKRQKPHL-ICSRJNTNSA-N 1 3 332.488 2.901 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000643083051 481309612 /nfs/dbraw/zinc/30/96/12/481309612.db2.gz MFWDJASKRQKPHL-QUCCMNQESA-N 1 3 332.488 2.901 20 0 EFADHO Cc1cc(C)cc(OCCN2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000643080896 481309989 /nfs/dbraw/zinc/30/99/89/481309989.db2.gz DEHMHTLABCXTCY-WOJBJXKFSA-N 1 3 332.488 2.901 20 0 EFADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000646483075 481325878 /nfs/dbraw/zinc/32/58/78/481325878.db2.gz ZSDJYLFURASSOV-APWZRJJASA-N 1 3 329.488 2.837 20 0 EFADHO Cc1ccc([C@H](CNC(=O)N(C)CC[NH+]2CCCCC2)N(C)C)cc1 ZINC000650779645 481336115 /nfs/dbraw/zinc/33/61/15/481336115.db2.gz ITPFOMLPCKSXEV-IBGZPJMESA-N 1 3 346.519 2.725 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659292944 481342352 /nfs/dbraw/zinc/34/23/52/481342352.db2.gz SNLBKYDWYRMORY-HKUYNNGSSA-N 1 3 327.472 2.698 20 0 EFADHO O[C@]1(CN2CCOCC3(CCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639593541 481347523 /nfs/dbraw/zinc/34/75/23/481347523.db2.gz RXOPRLVOERXRID-OAQYLSRUSA-N 1 3 344.499 2.516 20 0 EFADHO O[C@]1(CN2CCOCC3(CCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639593541 481347528 /nfs/dbraw/zinc/34/75/28/481347528.db2.gz RXOPRLVOERXRID-OAQYLSRUSA-N 1 3 344.499 2.516 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000659309488 481352084 /nfs/dbraw/zinc/35/20/84/481352084.db2.gz KYCNWTRGYFYMHS-QGZVFWFLSA-N 1 3 325.387 2.645 20 0 EFADHO CC(C)[NH2+]CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000659309402 481352120 /nfs/dbraw/zinc/35/21/20/481352120.db2.gz XRERZSBXKGNFRG-UHFFFAOYSA-N 1 3 345.409 2.594 20 0 EFADHO CCN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CCN(C)C1 ZINC000667195666 481391549 /nfs/dbraw/zinc/39/15/49/481391549.db2.gz CCQXMDFPVOXYGD-AEFFLSMTSA-N 1 3 330.476 2.793 20 0 EFADHO CCN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCN(C)C1 ZINC000667195667 481391913 /nfs/dbraw/zinc/39/19/13/481391913.db2.gz CCQXMDFPVOXYGD-FUHWJXTLSA-N 1 3 330.476 2.793 20 0 EFADHO CC[N@H+](CCCNC(=O)NC[C@H]1CCCN(C)C1)C1CCCCC1 ZINC000650859740 481395150 /nfs/dbraw/zinc/39/51/50/481395150.db2.gz PNCWBPTWXSSLGT-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO CC[N@@H+](CCCNC(=O)NC[C@H]1CCCN(C)C1)C1CCCCC1 ZINC000650859740 481395157 /nfs/dbraw/zinc/39/51/57/481395157.db2.gz PNCWBPTWXSSLGT-QGZVFWFLSA-N 1 3 338.540 2.672 20 0 EFADHO O=C(CC[N@@H+]1CCCN(c2ccncc2)CC1)Nc1cccc(F)c1 ZINC000639682217 481422887 /nfs/dbraw/zinc/42/28/87/481422887.db2.gz NMTAARHSLBPHJO-UHFFFAOYSA-N 1 3 342.418 2.762 20 0 EFADHO O=C(CC[N@H+]1CCCN(c2ccncc2)CC1)Nc1cccc(F)c1 ZINC000639682217 481422892 /nfs/dbraw/zinc/42/28/92/481422892.db2.gz NMTAARHSLBPHJO-UHFFFAOYSA-N 1 3 342.418 2.762 20 0 EFADHO CO[C@H](Cc1ccccc1)C[N@@H+]1CCCN(c2ccncc2)CC1 ZINC000639684175 481426852 /nfs/dbraw/zinc/42/68/52/481426852.db2.gz SPWCEWBBAFCLKO-HXUWFJFHSA-N 1 3 325.456 2.851 20 0 EFADHO CO[C@H](Cc1ccccc1)C[N@H+]1CCCN(c2ccncc2)CC1 ZINC000639684175 481426859 /nfs/dbraw/zinc/42/68/59/481426859.db2.gz SPWCEWBBAFCLKO-HXUWFJFHSA-N 1 3 325.456 2.851 20 0 EFADHO C[NH+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000670093774 481428788 /nfs/dbraw/zinc/42/87/88/481428788.db2.gz YVVNWPNGIYNGFU-SFHVURJKSA-N 1 3 346.519 2.538 20 0 EFADHO O[C@@]1(CN2CC[C@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639692551 481431504 /nfs/dbraw/zinc/43/15/04/481431504.db2.gz GFNXWUUUNRSQLC-LEWJYISDSA-N 1 3 337.467 2.508 20 0 EFADHO O[C@@]1(CN2CC[C@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639692551 481431511 /nfs/dbraw/zinc/43/15/11/481431511.db2.gz GFNXWUUUNRSQLC-LEWJYISDSA-N 1 3 337.467 2.508 20 0 EFADHO CN(C(=O)CC[N@@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639702903 481440714 /nfs/dbraw/zinc/44/07/14/481440714.db2.gz GLXAEDLNEZWIEF-UHFFFAOYSA-N 1 3 338.455 2.647 20 0 EFADHO CN(C(=O)CC[N@H+]1CCCN(c2ccncc2)CC1)c1ccccc1 ZINC000639702903 481440719 /nfs/dbraw/zinc/44/07/19/481440719.db2.gz GLXAEDLNEZWIEF-UHFFFAOYSA-N 1 3 338.455 2.647 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000661954263 481445345 /nfs/dbraw/zinc/44/53/45/481445345.db2.gz VFQSPCIUHVHBDO-GOSISDBHSA-N 1 3 338.540 2.528 20 0 EFADHO [NH3+]C1(CNC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CCCC1 ZINC000659456371 481447958 /nfs/dbraw/zinc/44/79/58/481447958.db2.gz LLMFVMXKSPCKQY-SFHVURJKSA-N 1 3 344.503 2.784 20 0 EFADHO CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 ZINC000659460571 481448315 /nfs/dbraw/zinc/44/83/15/481448315.db2.gz YLNIUHFKKIWRIA-UKRRQHHQSA-N 1 3 338.521 2.510 20 0 EFADHO C[C@@H](C(=O)N(C)C)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639724977 481460931 /nfs/dbraw/zinc/46/09/31/481460931.db2.gz FNQXNJUAQLHJMF-SFHVURJKSA-N 1 3 343.515 2.841 20 0 EFADHO c1n[nH]nc1CN1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000639728081 481464249 /nfs/dbraw/zinc/46/42/49/481464249.db2.gz ZTVKDADMIXXRKX-UHFFFAOYSA-N 1 3 325.460 2.683 20 0 EFADHO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000659492894 481468022 /nfs/dbraw/zinc/46/80/22/481468022.db2.gz SUVXVZSOUDSPJU-NWGLXNPWSA-N 1 3 346.519 2.755 20 0 EFADHO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])N(C)C ZINC000659492896 481468746 /nfs/dbraw/zinc/46/87/46/481468746.db2.gz SUVXVZSOUDSPJU-VYCZESIESA-N 1 3 346.519 2.755 20 0 EFADHO Cc1csc(CCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000643460731 481478833 /nfs/dbraw/zinc/47/88/33/481478833.db2.gz MUDQAFDLAWHGGT-MAUKXSAKSA-N 1 3 329.469 2.840 20 0 EFADHO Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643464028 481480156 /nfs/dbraw/zinc/48/01/56/481480156.db2.gz WXZIDHLSTBNINZ-YDZRNGNQSA-N 1 3 332.488 2.553 20 0 EFADHO CCc1cc(N2CCC[C@H](N[C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)ncn1 ZINC000643474323 481483863 /nfs/dbraw/zinc/48/38/63/481483863.db2.gz AVVAWWPLDGSURP-NEWSRXKRSA-N 1 3 345.535 2.908 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368893 481484831 /nfs/dbraw/zinc/48/48/31/481484831.db2.gz TZTFZEVXIKTHIS-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCN(C2CC2)C1 ZINC000637368893 481484838 /nfs/dbraw/zinc/48/48/38/481484838.db2.gz TZTFZEVXIKTHIS-LPHOPBHVSA-N 1 3 348.535 2.519 20 0 EFADHO CCCN(C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637369535 481488138 /nfs/dbraw/zinc/48/81/38/481488138.db2.gz ZAWCAXMIAMFEPB-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CCN(C)C1 ZINC000637369535 481488144 /nfs/dbraw/zinc/48/81/44/481488144.db2.gz ZAWCAXMIAMFEPB-QZTJIDSGSA-N 1 3 336.524 2.519 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000646793874 481490899 /nfs/dbraw/zinc/49/08/99/481490899.db2.gz OZGHZEUYEWWFJN-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CCN(CCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000646793874 481490906 /nfs/dbraw/zinc/49/09/06/481490906.db2.gz OZGHZEUYEWWFJN-LJQANCHMSA-N 1 3 343.515 2.542 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000646793873 481491348 /nfs/dbraw/zinc/49/13/48/481491348.db2.gz OZGHZEUYEWWFJN-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO CCN(CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000646793873 481491357 /nfs/dbraw/zinc/49/13/57/481491357.db2.gz OZGHZEUYEWWFJN-IBGZPJMESA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(OCCN(C)C)c1 ZINC000643545929 481501273 /nfs/dbraw/zinc/50/12/73/481501273.db2.gz FUXJRXNTINACDV-FUHWJXTLSA-N 1 3 331.504 2.952 20 0 EFADHO Cc1c([C@@H](C)NCCC2=CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000643545498 481501313 /nfs/dbraw/zinc/50/13/13/481501313.db2.gz JBPDRHOTLCQKCF-OAHLLOKOSA-N 1 3 325.460 2.845 20 0 EFADHO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000648399996 481517301 /nfs/dbraw/zinc/51/73/01/481517301.db2.gz UEQZIIUWDYZGOS-ICSRJNTNSA-N 1 3 332.488 2.691 20 0 EFADHO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)CCO1 ZINC000648399997 481517865 /nfs/dbraw/zinc/51/78/65/481517865.db2.gz UEQZIIUWDYZGOS-QUCCMNQESA-N 1 3 332.488 2.691 20 0 EFADHO CN1CCN(CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648419150 481531755 /nfs/dbraw/zinc/53/17/55/481531755.db2.gz XPCCXIHLTZQUPV-UHFFFAOYSA-N 1 3 336.867 2.598 20 0 EFADHO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)CCO1 ZINC000648426667 481537620 /nfs/dbraw/zinc/53/76/20/481537620.db2.gz MCSKESCZGGHCRU-NHCUHLMSSA-N 1 3 345.531 2.871 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476329 481570879 /nfs/dbraw/zinc/57/08/79/481570879.db2.gz VIIATIUKBLAXDZ-DLBZAZTESA-N 1 3 349.862 2.949 20 0 EFADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)C1 ZINC000637504095 481573341 /nfs/dbraw/zinc/57/33/41/481573341.db2.gz IMTUATZYBUNAMZ-MOPGFXCFSA-N 1 3 346.519 2.982 20 0 EFADHO CCO[C@@H](CC[NH+](C)C)CNCc1cc2cc(Cl)cnc2o1 ZINC000648500827 481582682 /nfs/dbraw/zinc/58/26/82/481582682.db2.gz LUUCWSHOZMKMFW-AWEZNQCLSA-N 1 3 325.840 2.928 20 0 EFADHO CCCC[N@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659846628 481592890 /nfs/dbraw/zinc/59/28/90/481592890.db2.gz HSFHAFYNKRQIBS-IPMKNSEASA-N 1 3 335.536 2.878 20 0 EFADHO CCCC[N@@H+](C)CC1CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659846628 481592897 /nfs/dbraw/zinc/59/28/97/481592897.db2.gz HSFHAFYNKRQIBS-IPMKNSEASA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@H]1CN(C(=O)C2(C)CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647008999 481600013 /nfs/dbraw/zinc/60/00/13/481600013.db2.gz XFKNHTLUQKVQQZ-RBUKOAKNSA-N 1 3 343.515 2.875 20 0 EFADHO C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654045584 481606340 /nfs/dbraw/zinc/60/63/40/481606340.db2.gz XXDGDKBPUZBCGA-OALUTQOASA-N 1 3 344.503 2.929 20 0 EFADHO CC[NH2+][C@H](C)CNC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000647024085 481607956 /nfs/dbraw/zinc/60/79/56/481607956.db2.gz SKOIBCSPAVVRIV-IAGOWNOFSA-N 1 3 347.503 2.668 20 0 EFADHO C[NH2+]CCCN(C)C(=O)c1ccccc1OCCN1CCCC[C@@H]1C ZINC000647090269 481631440 /nfs/dbraw/zinc/63/14/40/481631440.db2.gz AHKROUXYBNYOKR-KRWDZBQOSA-N 1 3 347.503 2.621 20 0 EFADHO COc1ccc(C[N@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H](C)C2CC2)cc1 ZINC000662249748 481664546 /nfs/dbraw/zinc/66/45/46/481664546.db2.gz ZHGCLVVHPFFQRA-KXBFYZLASA-N 1 3 330.472 2.817 20 0 EFADHO COc1ccc(C[N@@H+](C[C@@H]2CCC3(CNC3)O2)[C@@H](C)C2CC2)cc1 ZINC000662249748 481664554 /nfs/dbraw/zinc/66/45/54/481664554.db2.gz ZHGCLVVHPFFQRA-KXBFYZLASA-N 1 3 330.472 2.817 20 0 EFADHO COc1cc2c(cc1CN1CC3(C[C@H]1C)CC[NH2+]CC3)O[C@@H](C)C2 ZINC000643973776 481664940 /nfs/dbraw/zinc/66/49/40/481664940.db2.gz MMDCRYNSZVIHFP-CABCVRRESA-N 1 3 330.472 2.983 20 0 EFADHO COc1cc2c(cc1CN1CC3(C[C@@H]1C)CC[NH2+]CC3)O[C@H](C)C2 ZINC000643973779 481665073 /nfs/dbraw/zinc/66/50/73/481665073.db2.gz MMDCRYNSZVIHFP-LSDHHAIUSA-N 1 3 330.472 2.983 20 0 EFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252346 481667105 /nfs/dbraw/zinc/66/71/05/481667105.db2.gz JJQYTRBWXKOVRK-QFBILLFUSA-N 1 3 343.515 2.849 20 0 EFADHO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3c2CCNC3)C1 ZINC000662252346 481667109 /nfs/dbraw/zinc/66/71/09/481667109.db2.gz JJQYTRBWXKOVRK-QFBILLFUSA-N 1 3 343.515 2.849 20 0 EFADHO O=C(CC1CCN(Cc2cccc3c2CC[NH2+]C3)CC1)N1CCCC1 ZINC000662253905 481670849 /nfs/dbraw/zinc/67/08/49/481670849.db2.gz YJJUCIDWCWUTOU-UHFFFAOYSA-N 1 3 341.499 2.557 20 0 EFADHO c1ccc2oc([C@@H]3CCC[N@@H+](C[C@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260937 481674868 /nfs/dbraw/zinc/67/48/68/481674868.db2.gz RSROLBYBBJRXQC-HUUCEWRRSA-N 1 3 327.428 2.528 20 0 EFADHO c1ccc2oc([C@@H]3CCC[N@H+](C[C@H]4CCC5(CNC5)O4)C3)nc2c1 ZINC000662260937 481674876 /nfs/dbraw/zinc/67/48/76/481674876.db2.gz RSROLBYBBJRXQC-HUUCEWRRSA-N 1 3 327.428 2.528 20 0 EFADHO C[N@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979569 481680571 /nfs/dbraw/zinc/68/05/71/481680571.db2.gz ULDDHOKRLMXPDO-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979569 481680576 /nfs/dbraw/zinc/68/05/76/481680576.db2.gz ULDDHOKRLMXPDO-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979569 481680578 /nfs/dbraw/zinc/68/05/78/481680578.db2.gz ULDDHOKRLMXPDO-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CN(CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000659979569 481680586 /nfs/dbraw/zinc/68/05/86/481680586.db2.gz ULDDHOKRLMXPDO-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO [NH3+]C[C@@H]1CN(CCc2nsc3ccccc32)CC12CCOCC2 ZINC000662274225 481684067 /nfs/dbraw/zinc/68/40/67/481684067.db2.gz SFHURPIPOZNBNA-CQSZACIVSA-N 1 3 331.485 2.526 20 0 EFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H](CO)c1ccccc1 ZINC000648714301 481686640 /nfs/dbraw/zinc/68/66/40/481686640.db2.gz NBTOQHXWVUSTHR-HXUWFJFHSA-N 1 3 328.456 2.792 20 0 EFADHO Fc1ccc2c(c1)onc2C1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279700 481686731 /nfs/dbraw/zinc/68/67/31/481686731.db2.gz XBRJQCQQYVXFJY-OAHLLOKOSA-N 1 3 345.418 2.667 20 0 EFADHO CO[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@@](C)(CO)C1 ZINC000640005660 481687371 /nfs/dbraw/zinc/68/73/71/481687371.db2.gz RXBBEZXVHZUFRC-VQTJNVASSA-N 1 3 332.488 2.644 20 0 EFADHO CO[C@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)[C@](C)(CO)C1 ZINC000640005659 481687796 /nfs/dbraw/zinc/68/77/96/481687796.db2.gz RXBBEZXVHZUFRC-UXHICEINSA-N 1 3 332.488 2.644 20 0 EFADHO C([C@H]1CCC2(C[NH2+]C2)O1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000662279891 481689109 /nfs/dbraw/zinc/68/91/09/481689109.db2.gz MZHRVRROGCVNGR-LSDHHAIUSA-N 1 3 347.528 2.722 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662285770 481692061 /nfs/dbraw/zinc/69/20/61/481692061.db2.gz MZJNMGUUGDXSNZ-HKUYNNGSSA-N 1 3 330.472 2.613 20 0 EFADHO COc1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(CNC3)O2)cc1 ZINC000662285770 481692070 /nfs/dbraw/zinc/69/20/70/481692070.db2.gz MZJNMGUUGDXSNZ-HKUYNNGSSA-N 1 3 330.472 2.613 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H](C)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291021 481692585 /nfs/dbraw/zinc/69/25/85/481692585.db2.gz NFJGMGPAVJKLFK-YLJYHZDGSA-N 1 3 343.515 2.711 20 0 EFADHO CN(C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000648719313 481692869 /nfs/dbraw/zinc/69/28/69/481692869.db2.gz KORNADKXVDFZFM-ZCNNSNEGSA-N 1 3 332.488 2.752 20 0 EFADHO CN(C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000648719313 481692877 /nfs/dbraw/zinc/69/28/77/481692877.db2.gz KORNADKXVDFZFM-ZCNNSNEGSA-N 1 3 332.488 2.752 20 0 EFADHO C[C@H](NC(=O)[C@H](C)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1 ZINC000662291275 481695734 /nfs/dbraw/zinc/69/57/34/481695734.db2.gz RBRRMPFFNCAIPO-ZWOKBUDYSA-N 1 3 343.515 2.964 20 0 EFADHO CC(=O)c1ccccc1OCCN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291487 481695996 /nfs/dbraw/zinc/69/59/96/481695996.db2.gz UHEJERIMSDJKND-SFHVURJKSA-N 1 3 330.472 2.980 20 0 EFADHO C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292037 481696002 /nfs/dbraw/zinc/69/60/02/481696002.db2.gz LDKXADKVXNHKNG-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(NC1CC1)[C@H](c1ccccc1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295599 481700886 /nfs/dbraw/zinc/70/08/86/481700886.db2.gz HEPYUPWECAIZRG-ICSRJNTNSA-N 1 3 341.499 2.718 20 0 EFADHO C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298633 481705158 /nfs/dbraw/zinc/70/51/58/481705158.db2.gz WKPBEMZIDJPCAT-YLJYHZDGSA-N 1 3 343.515 2.918 20 0 EFADHO C[C@H](C(=O)Nc1cccc(F)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298674 481705336 /nfs/dbraw/zinc/70/53/36/481705336.db2.gz WRBSEYVTXJVYBD-ZBFHGGJFSA-N 1 3 333.451 2.864 20 0 EFADHO COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662297847 481705572 /nfs/dbraw/zinc/70/55/72/481705572.db2.gz SKZNEMGMZWFQQY-DOTOQJQBSA-N 1 3 345.487 2.734 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)CC2)CC1 ZINC000667641780 481706248 /nfs/dbraw/zinc/70/62/48/481706248.db2.gz CZTITCYVHYAVAR-PMOLBWCYSA-N 1 3 347.547 2.878 20 0 EFADHO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(C4CC4)cc3)CC2)CC1 ZINC000667642372 481706466 /nfs/dbraw/zinc/70/64/66/481706466.db2.gz YXPBJARQMIWLNE-UHFFFAOYSA-N 1 3 341.499 2.852 20 0 EFADHO Cc1ccccc1CN(C)C(=O)CN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312385 481715956 /nfs/dbraw/zinc/71/59/56/481715956.db2.gz BOVAKJCSVRRJCK-IEBWSBKVSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662315167 481718360 /nfs/dbraw/zinc/71/83/60/481718360.db2.gz RIHPXSAYZJTVRU-CRAIPNDOSA-N 1 3 335.467 2.624 20 0 EFADHO CCOc1cccc(CNC(=O)CN2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662315845 481719338 /nfs/dbraw/zinc/71/93/38/481719338.db2.gz VKRXPGUUTKTKLV-VQIMIIECSA-N 1 3 347.503 2.541 20 0 EFADHO OCC1([C@@H]([NH2+]C[C@H](O)CN2CCCC2)c2ccccc2)CCCCC1 ZINC000665206710 481719692 /nfs/dbraw/zinc/71/96/92/481719692.db2.gz PATPVYBHBDRPQG-PMACEKPBSA-N 1 3 346.515 2.717 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316708 481720993 /nfs/dbraw/zinc/72/09/93/481720993.db2.gz LYUPHLDMHDZQRZ-QUCCMNQESA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316708 481721004 /nfs/dbraw/zinc/72/10/04/481721004.db2.gz LYUPHLDMHDZQRZ-QUCCMNQESA-N 1 3 339.483 2.948 20 0 EFADHO COc1ccc([C@H](C[NH3+])CN2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC000662316708 481721010 /nfs/dbraw/zinc/72/10/10/481721010.db2.gz LYUPHLDMHDZQRZ-QUCCMNQESA-N 1 3 339.483 2.948 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2CN2CC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000667671101 481724555 /nfs/dbraw/zinc/72/45/55/481724555.db2.gz HWGURFCOSAAKHP-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC000667671101 481724560 /nfs/dbraw/zinc/72/45/60/481724560.db2.gz HWGURFCOSAAKHP-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO Cn1cc([C@@H]2OCCC[C@H]2C[N@H+]2CC[C@H](CN3CCCCC3)C2)cn1 ZINC000667671101 481724567 /nfs/dbraw/zinc/72/45/67/481724567.db2.gz HWGURFCOSAAKHP-WSTZPKSXSA-N 1 3 346.519 2.696 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@@H+]1C ZINC000648765330 481726262 /nfs/dbraw/zinc/72/62/62/481726262.db2.gz CQEASYJTQXICPY-QRQLOZEOSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000648765330 481726266 /nfs/dbraw/zinc/72/62/66/481726266.db2.gz CQEASYJTQXICPY-QRQLOZEOSA-N 1 3 329.488 2.670 20 0 EFADHO CCOc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000667683168 481734070 /nfs/dbraw/zinc/73/40/70/481734070.db2.gz HDVZYILZRYQLNA-NQIIRXRSSA-N 1 3 345.531 2.852 20 0 EFADHO CCOc1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000667683170 481734738 /nfs/dbraw/zinc/73/47/38/481734738.db2.gz HDVZYILZRYQLNA-WIYYLYMNSA-N 1 3 345.531 2.852 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335743 481735254 /nfs/dbraw/zinc/73/52/54/481735254.db2.gz PRYGWGCPMFQSBJ-FUHWJXTLSA-N 1 3 339.487 2.760 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000662335743 481735264 /nfs/dbraw/zinc/73/52/64/481735264.db2.gz PRYGWGCPMFQSBJ-FUHWJXTLSA-N 1 3 339.487 2.760 20 0 EFADHO O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc2c1C[NH2+]C2 ZINC000662347108 481743706 /nfs/dbraw/zinc/74/37/06/481743706.db2.gz AUAPVHXYGCLOIG-QGZVFWFLSA-N 1 3 341.480 2.918 20 0 EFADHO C[NH+](C)CCOc1ccccc1N1CCN(CC2CC=CC2)CC1 ZINC000660077420 481744516 /nfs/dbraw/zinc/74/45/16/481744516.db2.gz UTRNQJSKOGDBLB-UHFFFAOYSA-N 1 3 329.488 2.715 20 0 EFADHO C[N@H+](CCCNC(=O)c1cc2c(s1)CCNC2)Cc1ccccc1 ZINC000662355992 481746837 /nfs/dbraw/zinc/74/68/37/481746837.db2.gz JSXWALCVRUJZGK-UHFFFAOYSA-N 1 3 343.496 2.646 20 0 EFADHO C[N@@H+](CCCNC(=O)c1cc2c(s1)CCNC2)Cc1ccccc1 ZINC000662355992 481746848 /nfs/dbraw/zinc/74/68/48/481746848.db2.gz JSXWALCVRUJZGK-UHFFFAOYSA-N 1 3 343.496 2.646 20 0 EFADHO Cc1nc(CN)ccc1[C@@H](C)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254478 481748560 /nfs/dbraw/zinc/74/85/60/481748560.db2.gz RGFDYSDEBNACLR-JSNMRZPZSA-N 1 3 342.462 2.784 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000665270624 481760125 /nfs/dbraw/zinc/76/01/25/481760125.db2.gz HRRKKJDNURKWFY-HXUWFJFHSA-N 1 3 341.499 2.887 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(CN2CCCCC2)c1 ZINC000665270624 481760128 /nfs/dbraw/zinc/76/01/28/481760128.db2.gz HRRKKJDNURKWFY-HXUWFJFHSA-N 1 3 341.499 2.887 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000648810014 481760166 /nfs/dbraw/zinc/76/01/66/481760166.db2.gz JUVPETQCHSYLQE-NEWSRXKRSA-N 1 3 331.504 2.599 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N(C)C ZINC000648810014 481760169 /nfs/dbraw/zinc/76/01/69/481760169.db2.gz JUVPETQCHSYLQE-NEWSRXKRSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H](NCc1ccc(CO)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000647323298 481761282 /nfs/dbraw/zinc/76/12/82/481761282.db2.gz XUUPAPKVICRRFX-INIZCTEOSA-N 1 3 328.456 2.970 20 0 EFADHO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)C(=O)NCc1cccs1 ZINC000647332858 481763966 /nfs/dbraw/zinc/76/39/66/481763966.db2.gz GHZCIGRQKDQHHG-KRWDZBQOSA-N 1 3 335.517 2.607 20 0 EFADHO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(CN)nc2C)CCCCC1 ZINC000665275762 481764218 /nfs/dbraw/zinc/76/42/18/481764218.db2.gz RAFJXAYOJGPZGT-CQSZACIVSA-N 1 3 332.492 2.586 20 0 EFADHO Cc1cc(NC(=O)N(CCN(C)C)CC[NH+](C)C)ccc1Cl ZINC000654299266 481764642 /nfs/dbraw/zinc/76/46/42/481764642.db2.gz AJSVNSYKVGQBID-UHFFFAOYSA-N 1 3 326.872 2.606 20 0 EFADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667729551 481765304 /nfs/dbraw/zinc/76/53/04/481765304.db2.gz MMZIVHUWQNUJFK-UHFFFAOYSA-N 1 3 344.434 2.880 20 0 EFADHO [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000667728331 481766447 /nfs/dbraw/zinc/76/64/47/481766447.db2.gz QVVXMCMBHNJFFZ-LJQANCHMSA-N 1 3 338.455 2.931 20 0 EFADHO C[C@H]1[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)CCN1Cc1ccccc1 ZINC000667733466 481769079 /nfs/dbraw/zinc/76/90/79/481769079.db2.gz FVAATYOJZYPUJU-KXBFYZLASA-N 1 3 338.455 2.930 20 0 EFADHO CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)c1ccco1 ZINC000667733944 481770026 /nfs/dbraw/zinc/77/00/26/481770026.db2.gz OKFKPVRVANPMBY-BBRMVZONSA-N 1 3 330.432 2.989 20 0 EFADHO C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)[C@@H](c1ccccc1)N(C)C ZINC000667736541 481771572 /nfs/dbraw/zinc/77/15/72/481771572.db2.gz HSHVDKFTRPEQTG-KSSFIOAISA-N 1 3 326.444 2.958 20 0 EFADHO [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000644197470 481771852 /nfs/dbraw/zinc/77/18/52/481771852.db2.gz WBILVYJGGHIHTI-GUDVDZBRSA-N 1 3 344.503 2.783 20 0 EFADHO C[C@@H](NC(=O)Nc1cccc(C[NH3+])c1)[C@@H](c1ccccc1)N(C)C ZINC000667736540 481772171 /nfs/dbraw/zinc/77/21/71/481772171.db2.gz HSHVDKFTRPEQTG-KDOFPFPSSA-N 1 3 326.444 2.958 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662382708 481773531 /nfs/dbraw/zinc/77/35/31/481773531.db2.gz ANRBZHGQNOXKCS-YJBOKZPZSA-N 1 3 329.488 2.669 20 0 EFADHO C[C@H](CN1CCCCC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662382705 481773714 /nfs/dbraw/zinc/77/37/14/481773714.db2.gz ANRBZHGQNOXKCS-QAPCUYQASA-N 1 3 329.488 2.669 20 0 EFADHO CC(C)[C@H](CNC(=O)c1cccc2c1CNC2)[NH+]1CCC(C)CC1 ZINC000662382405 481775194 /nfs/dbraw/zinc/77/51/94/481775194.db2.gz JYSJKYFCTHCOOD-IBGZPJMESA-N 1 3 329.488 2.776 20 0 EFADHO CC1CCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662386566 481776302 /nfs/dbraw/zinc/77/63/02/481776302.db2.gz CQHMGOLJQDMTBP-GOSISDBHSA-N 1 3 329.488 2.527 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC000665294089 481776688 /nfs/dbraw/zinc/77/66/88/481776688.db2.gz HRQBOPFOEWHQOM-SLFFLAALSA-N 1 3 332.488 2.989 20 0 EFADHO CC(C)NCC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000662387289 481778317 /nfs/dbraw/zinc/77/83/17/481778317.db2.gz RPDGVFUEXPEFGW-CALCHBBNSA-N 1 3 331.504 2.779 20 0 EFADHO CC(C)NCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000662387289 481778325 /nfs/dbraw/zinc/77/83/25/481778325.db2.gz RPDGVFUEXPEFGW-CALCHBBNSA-N 1 3 331.504 2.779 20 0 EFADHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cccc(COC[C@H]2CCCO2)c1 ZINC000665294091 481778967 /nfs/dbraw/zinc/77/89/67/481778967.db2.gz HRQBOPFOEWHQOM-XUVXKRRUSA-N 1 3 332.488 2.989 20 0 EFADHO COc1ccccc1-c1cc(CN[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)on1 ZINC000665299911 481780939 /nfs/dbraw/zinc/78/09/39/481780939.db2.gz VHOLXYVXLSNZBQ-RRFJBIMHSA-N 1 3 327.428 2.828 20 0 EFADHO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000662403011 481785843 /nfs/dbraw/zinc/78/58/43/481785843.db2.gz RLLPSECJNCCUHU-LNLFQRSKSA-N 1 3 331.504 2.949 20 0 EFADHO C[C@@H]1CCC[C@](CNC(=O)C[C@H]2NCc3ccccc32)([NH+](C)C)C1 ZINC000662401362 481786570 /nfs/dbraw/zinc/78/65/70/481786570.db2.gz SASOCUOJEBDPHF-ZTNFWEORSA-N 1 3 329.488 2.848 20 0 EFADHO C[NH+](C)C1(CNC(=O)N[C@H]2CCCN3CCCC[C@H]23)CCCCC1 ZINC000654349127 481810488 /nfs/dbraw/zinc/81/04/88/481810488.db2.gz YJDJDZSPZHKSNZ-DLBZAZTESA-N 1 3 336.524 2.567 20 0 EFADHO CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449591 481811123 /nfs/dbraw/zinc/81/11/23/481811123.db2.gz ZDLASELWKJJDCU-RLLQIKCJSA-N 1 3 341.499 2.764 20 0 EFADHO CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449590 481811196 /nfs/dbraw/zinc/81/11/96/481811196.db2.gz ZDLASELWKJJDCU-MISYRCLQSA-N 1 3 341.499 2.764 20 0 EFADHO O=C(NCCCCC[NH+]1CCCCC1)c1cc2c(s1)CCNC2 ZINC000662454195 481813681 /nfs/dbraw/zinc/81/36/81/481813681.db2.gz KWNYDSJTGABFHQ-UHFFFAOYSA-N 1 3 335.517 2.780 20 0 EFADHO CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662455278 481813923 /nfs/dbraw/zinc/81/39/23/481813923.db2.gz XEXOFFFWDATFGP-QZTJIDSGSA-N 1 3 329.488 2.669 20 0 EFADHO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355762 481814320 /nfs/dbraw/zinc/81/43/20/481814320.db2.gz RCIPUUWKQRAEIV-QFBILLFUSA-N 1 3 329.488 2.743 20 0 EFADHO CC[N@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000665355762 481814326 /nfs/dbraw/zinc/81/43/26/481814326.db2.gz RCIPUUWKQRAEIV-QFBILLFUSA-N 1 3 329.488 2.743 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654355315 481815303 /nfs/dbraw/zinc/81/53/03/481815303.db2.gz MKIPAIAYGXCIOU-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000654355315 481815308 /nfs/dbraw/zinc/81/53/08/481815308.db2.gz MKIPAIAYGXCIOU-SQNIBIBYSA-N 1 3 336.524 2.567 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654358103 481819021 /nfs/dbraw/zinc/81/90/21/481819021.db2.gz WKJWDXNNJRDJER-CEXWTWQISA-N 1 3 344.503 2.605 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000654358103 481819024 /nfs/dbraw/zinc/81/90/24/481819024.db2.gz WKJWDXNNJRDJER-CEXWTWQISA-N 1 3 344.503 2.605 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662479191 481830146 /nfs/dbraw/zinc/83/01/46/481830146.db2.gz ZWOHPFLWXHCYSL-LPHOPBHVSA-N 1 3 327.472 2.555 20 0 EFADHO CN(C)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662485960 481833610 /nfs/dbraw/zinc/83/36/10/481833610.db2.gz TWNFGEXPIPNVEB-ROUUACIJSA-N 1 3 329.488 2.622 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc2c(s1)CCNC2 ZINC000662490637 481838243 /nfs/dbraw/zinc/83/82/43/481838243.db2.gz HQNYCMKYJQACCT-UHFFFAOYSA-N 1 3 333.501 2.531 20 0 EFADHO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cc2c(s1)CCNC2 ZINC000662493931 481839256 /nfs/dbraw/zinc/83/92/56/481839256.db2.gz URAWFAQCCCFPLX-UHFFFAOYSA-N 1 3 349.525 2.659 20 0 EFADHO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3c2CNC3)CC1 ZINC000662492482 481839860 /nfs/dbraw/zinc/83/98/60/481839860.db2.gz LXQJYOJIRCJOOL-UHFFFAOYSA-N 1 3 329.488 2.778 20 0 EFADHO CN(C)Cc1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC000654402079 481852630 /nfs/dbraw/zinc/85/26/30/481852630.db2.gz RODCYWXBJMLDOU-UHFFFAOYSA-N 1 3 339.483 2.782 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526880 481860824 /nfs/dbraw/zinc/86/08/24/481860824.db2.gz LPUBZDLOEULZRJ-UXLLHSPISA-N 1 3 327.472 2.767 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cccc3c2CNC3)C1 ZINC000662526880 481860828 /nfs/dbraw/zinc/86/08/28/481860828.db2.gz LPUBZDLOEULZRJ-UXLLHSPISA-N 1 3 327.472 2.767 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000660275155 481869508 /nfs/dbraw/zinc/86/95/08/481869508.db2.gz QXBIQGKNPBGJHZ-LJQANCHMSA-N 1 3 346.519 2.812 20 0 EFADHO CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000649000956 481880653 /nfs/dbraw/zinc/88/06/53/481880653.db2.gz GMIPNOZEFVLCHX-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCN(C)C1 ZINC000649000956 481880654 /nfs/dbraw/zinc/88/06/54/481880654.db2.gz GMIPNOZEFVLCHX-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CCCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCN(C)C1 ZINC000649001907 481882797 /nfs/dbraw/zinc/88/27/97/481882797.db2.gz XBZKLUGWSSCCST-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)(C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@H](N)c1ccccc1 ZINC000662587508 481889004 /nfs/dbraw/zinc/88/90/04/481889004.db2.gz GHWVPKBUYWDLQM-RTBURBONSA-N 1 3 343.515 2.951 20 0 EFADHO O=C(NCCN1CCCC1)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000667934472 481889944 /nfs/dbraw/zinc/88/99/44/481889944.db2.gz LOWDEZZRETXPCE-AABGKKOBSA-N 1 3 341.499 2.790 20 0 EFADHO C[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)[C@H](N)c1ccccc1 ZINC000662591558 481890214 /nfs/dbraw/zinc/89/02/14/481890214.db2.gz AMXXSOZABCQUPX-IPELMVKDSA-N 1 3 329.488 2.561 20 0 EFADHO O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654474584 481892545 /nfs/dbraw/zinc/89/25/45/481892545.db2.gz RBANVPUYPTWZTK-RTBURBONSA-N 1 3 348.535 2.710 20 0 EFADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCc1cccc(CN(C)C)c1 ZINC000660324036 481896501 /nfs/dbraw/zinc/89/65/01/481896501.db2.gz HDUQHLHEYFVQEU-QGZVFWFLSA-N 1 3 346.519 2.668 20 0 EFADHO C[C@@H]1CCCCN1CCOc1ccccc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000662608944 481898845 /nfs/dbraw/zinc/89/88/45/481898845.db2.gz SYBYATJACOBKMG-MRXNPFEDSA-N 1 3 347.503 2.749 20 0 EFADHO CC(C)(C)N1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662619554 481902781 /nfs/dbraw/zinc/90/27/81/481902781.db2.gz MMXQAKJFZWPVGJ-DLBZAZTESA-N 1 3 329.488 2.668 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502987 481904422 /nfs/dbraw/zinc/90/44/22/481904422.db2.gz YIJLTHIWZCKUNX-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]1C ZINC000654502987 481904426 /nfs/dbraw/zinc/90/44/26/481904426.db2.gz YIJLTHIWZCKUNX-QWFCFKBJSA-N 1 3 343.515 2.888 20 0 EFADHO CN1CCC([NH+]2CCC(NCc3cccc4c3CCC4)CC2)CC1 ZINC000651693611 481908896 /nfs/dbraw/zinc/90/88/96/481908896.db2.gz WUOOHRGXTRNZAX-UHFFFAOYSA-N 1 3 327.516 2.824 20 0 EFADHO CC(C)N(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000649065143 481917013 /nfs/dbraw/zinc/91/70/13/481917013.db2.gz ODQYCXBMTAPXTA-HXUWFJFHSA-N 1 3 343.515 2.840 20 0 EFADHO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000662658725 481920417 /nfs/dbraw/zinc/92/04/17/481920417.db2.gz JOXFGSSHDYUUGL-RBUKOAKNSA-N 1 3 345.531 2.786 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000662659707 481922100 /nfs/dbraw/zinc/92/21/00/481922100.db2.gz UPQAXFKSVXKRDW-HXUWFJFHSA-N 1 3 343.515 2.542 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000662659847 481922293 /nfs/dbraw/zinc/92/22/93/481922293.db2.gz VNGZVPWNOSOFKR-DYXWJJEUSA-N 1 3 343.515 2.669 20 0 EFADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000662659849 481922308 /nfs/dbraw/zinc/92/23/08/481922308.db2.gz VNGZVPWNOSOFKR-SFHLNBCPSA-N 1 3 343.515 2.669 20 0 EFADHO CC[NH+](CC)Cc1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000662668632 481924613 /nfs/dbraw/zinc/92/46/13/481924613.db2.gz HSZJHCCNALOYJS-UHFFFAOYSA-N 1 3 329.488 2.806 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000662668515 481924825 /nfs/dbraw/zinc/92/48/25/481924825.db2.gz NTZXEBKJPGMBQI-VDZJLULYSA-N 1 3 329.488 2.846 20 0 EFADHO C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](N)c1ccccc1 ZINC000662668515 481924830 /nfs/dbraw/zinc/92/48/30/481924830.db2.gz NTZXEBKJPGMBQI-VDZJLULYSA-N 1 3 329.488 2.846 20 0 EFADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1(NC2CC2)CCC1 ZINC000662669679 481926506 /nfs/dbraw/zinc/92/65/06/481926506.db2.gz RRFSNKJGELECCO-UHFFFAOYSA-N 1 3 327.472 2.573 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662675989 481929371 /nfs/dbraw/zinc/92/93/71/481929371.db2.gz SGMINJRQVAXQHL-UHFFFAOYSA-N 1 3 329.488 2.805 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(N)CC2(CCC2)C1 ZINC000662675989 481929377 /nfs/dbraw/zinc/92/93/77/481929377.db2.gz SGMINJRQVAXQHL-UHFFFAOYSA-N 1 3 329.488 2.805 20 0 EFADHO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1NCc2ccccc21)C1CCCCC1 ZINC000662679993 481930669 /nfs/dbraw/zinc/93/06/69/481930669.db2.gz RDNXPVQIKJABIX-OALUTQOASA-N 1 3 329.488 2.848 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662696831 481938158 /nfs/dbraw/zinc/93/81/58/481938158.db2.gz WPPJRENDBHMADU-QFBILLFUSA-N 1 3 349.478 2.898 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662696830 481938491 /nfs/dbraw/zinc/93/84/91/481938491.db2.gz WPPJRENDBHMADU-LPHOPBHVSA-N 1 3 349.478 2.898 20 0 EFADHO CCCN1CC[C@H](NC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000660404898 481939492 /nfs/dbraw/zinc/93/94/92/481939492.db2.gz RESKBAGGXKFVQA-BZSNNMDCSA-N 1 3 338.540 2.528 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)CCN1Cc1ccccc1 ZINC000662718894 481947074 /nfs/dbraw/zinc/94/70/74/481947074.db2.gz RYVMMZCIUCLQCG-NXHRZFHOSA-N 1 3 329.488 2.544 20 0 EFADHO Cc1ccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)c(OCCN(C)C)c1 ZINC000662734630 481953209 /nfs/dbraw/zinc/95/32/09/481953209.db2.gz RKTFVKPMPAFQKR-INIZCTEOSA-N 1 3 335.492 2.885 20 0 EFADHO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc2c1CCNC2 ZINC000662746354 481958893 /nfs/dbraw/zinc/95/88/93/481958893.db2.gz KFOCLZYJPCNMGF-UHFFFAOYSA-N 1 3 341.499 2.859 20 0 EFADHO CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662752477 481959617 /nfs/dbraw/zinc/95/96/17/481959617.db2.gz ZJTHQSDQKNTPMA-MOPGFXCFSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662752480 481960072 /nfs/dbraw/zinc/96/00/72/481960072.db2.gz ZJTHQSDQKNTPMA-OALUTQOASA-N 1 3 343.515 2.745 20 0 EFADHO CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000660449614 481965693 /nfs/dbraw/zinc/96/56/93/481965693.db2.gz LVGXLHOAZMIUJA-WDSOQIARSA-N 1 3 344.503 2.605 20 0 EFADHO CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1 ZINC000660449614 481965697 /nfs/dbraw/zinc/96/56/97/481965697.db2.gz LVGXLHOAZMIUJA-WDSOQIARSA-N 1 3 344.503 2.605 20 0 EFADHO CN1CCC(Oc2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2)CC1 ZINC000668114895 481983470 /nfs/dbraw/zinc/98/34/70/481983470.db2.gz JBFNLAMXSFXLTI-FXAWDEMLSA-N 1 3 330.472 2.817 20 0 EFADHO CCc1ccc2nccc(N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2c1 ZINC000649268007 482003735 /nfs/dbraw/zinc/00/37/35/482003735.db2.gz RGAGGQGBCVLTGY-UXHICEINSA-N 1 3 325.456 2.833 20 0 EFADHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000654727465 482016861 /nfs/dbraw/zinc/01/68/61/482016861.db2.gz NPYONLOSRUVXIT-ROUUACIJSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654728794 482018031 /nfs/dbraw/zinc/01/80/31/482018031.db2.gz BBDWEJFQJCPIHI-RCCFBDPRSA-N 1 3 336.524 2.519 20 0 EFADHO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000654728794 482018026 /nfs/dbraw/zinc/01/80/26/482018026.db2.gz BBDWEJFQJCPIHI-RCCFBDPRSA-N 1 3 336.524 2.519 20 0 EFADHO CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000654731915 482022409 /nfs/dbraw/zinc/02/24/09/482022409.db2.gz PKGJZPNHBZNBPE-ZWKOTPCHSA-N 1 3 338.540 2.767 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663001244 482030653 /nfs/dbraw/zinc/03/06/53/482030653.db2.gz RXKRBVPNNHCGGG-IEZWGBDMSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@H](N)c1ccccc1 ZINC000663001244 482030659 /nfs/dbraw/zinc/03/06/59/482030659.db2.gz RXKRBVPNNHCGGG-IEZWGBDMSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663001246 482030838 /nfs/dbraw/zinc/03/08/38/482030838.db2.gz RXKRBVPNNHCGGG-VDZJLULYSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)[C@@H](N)c1ccccc1 ZINC000663001246 482030843 /nfs/dbraw/zinc/03/08/43/482030843.db2.gz RXKRBVPNNHCGGG-VDZJLULYSA-N 1 3 329.488 2.561 20 0 EFADHO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccccc1OCCN1CCCC[C@H]1C ZINC000649371246 482045606 /nfs/dbraw/zinc/04/56/06/482045606.db2.gz YMXHMIWPBZRETC-YESZJQIVSA-N 1 3 347.503 2.795 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668235325 482046315 /nfs/dbraw/zinc/04/63/15/482046315.db2.gz IHZCMUAGGPANEG-FQEVSTJZSA-N 1 3 343.515 2.666 20 0 EFADHO CN(CC1CCN(C)CC1)C(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668235326 482046540 /nfs/dbraw/zinc/04/65/40/482046540.db2.gz IHZCMUAGGPANEG-HXUWFJFHSA-N 1 3 343.515 2.666 20 0 EFADHO CCN1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000660624293 482056348 /nfs/dbraw/zinc/05/63/48/482056348.db2.gz YQDUUBIQKSAJNZ-LJQANCHMSA-N 1 3 341.499 2.595 20 0 EFADHO Cc1cc(N2CCN(CCCC3CC[NH2+]CC3)CC2)nc(C(C)C)n1 ZINC000649411369 482066608 /nfs/dbraw/zinc/06/66/08/482066608.db2.gz OODPMIUECJXOFP-UHFFFAOYSA-N 1 3 345.535 2.810 20 0 EFADHO CCOc1ccccc1N1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000649411014 482066716 /nfs/dbraw/zinc/06/67/16/482066716.db2.gz AUJQYUQBLYSUHT-UHFFFAOYSA-N 1 3 331.504 2.987 20 0 EFADHO C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649413575 482068732 /nfs/dbraw/zinc/06/87/32/482068732.db2.gz LNRYQUCMVFSOKZ-QPCUUSJWSA-N 1 3 331.548 2.820 20 0 EFADHO C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417824 482069890 /nfs/dbraw/zinc/06/98/90/482069890.db2.gz IXGJJZLGUNPLAI-BFYDXBDKSA-N 1 3 341.459 2.904 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)c1C ZINC000660653614 482071422 /nfs/dbraw/zinc/07/14/22/482071422.db2.gz CHKDSPHONGAFDJ-CTNGQTDRSA-N 1 3 346.515 2.769 20 0 EFADHO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)c1C ZINC000660653614 482071430 /nfs/dbraw/zinc/07/14/30/482071430.db2.gz CHKDSPHONGAFDJ-CTNGQTDRSA-N 1 3 346.515 2.769 20 0 EFADHO C[C@@H](NC(C)(C)CNC(=O)NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000652151345 482099643 /nfs/dbraw/zinc/09/96/43/482099643.db2.gz QRMHOCONHOBLDD-MRXNPFEDSA-N 1 3 346.519 2.805 20 0 EFADHO CC[NH+]1CCC(N2CCC(C(=O)N3CC[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000655010941 482131083 /nfs/dbraw/zinc/13/10/83/482131083.db2.gz UUQFWZJZSZGRAW-QFBILLFUSA-N 1 3 333.520 2.584 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655031444 482137421 /nfs/dbraw/zinc/13/74/21/482137421.db2.gz YCULLZMFBIALRE-AZUAARDMSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655031444 482137417 /nfs/dbraw/zinc/13/74/17/482137417.db2.gz YCULLZMFBIALRE-AZUAARDMSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655031445 482137683 /nfs/dbraw/zinc/13/76/83/482137683.db2.gz YCULLZMFBIALRE-ICSRJNTNSA-N 1 3 341.499 2.642 20 0 EFADHO O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655031445 482137677 /nfs/dbraw/zinc/13/76/77/482137677.db2.gz YCULLZMFBIALRE-ICSRJNTNSA-N 1 3 341.499 2.642 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3ccn(C)c(=O)c3)C2)s1 ZINC000649604582 482149772 /nfs/dbraw/zinc/14/97/72/482149772.db2.gz NFWMGIOEKJWZCK-QGZVFWFLSA-N 1 3 345.512 2.709 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccn(C)c(=O)c3)C2)s1 ZINC000649604582 482149782 /nfs/dbraw/zinc/14/97/82/482149782.db2.gz NFWMGIOEKJWZCK-QGZVFWFLSA-N 1 3 345.512 2.709 20 0 EFADHO c1cc(CN2CCC(C[NH2+]Cc3ccc4c(n3)CCC4)CC2)ccn1 ZINC000668512137 482149766 /nfs/dbraw/zinc/14/97/66/482149766.db2.gz JYQAIEGXQWOOBP-UHFFFAOYSA-N 1 3 336.483 2.967 20 0 EFADHO c1ccc(CN2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)nc1 ZINC000663344528 482172587 /nfs/dbraw/zinc/17/25/87/482172587.db2.gz VEXOGLVBCFVJTG-IBGZPJMESA-N 1 3 342.531 2.758 20 0 EFADHO CN(C(=O)CCNCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000663357167 482179805 /nfs/dbraw/zinc/17/98/05/482179805.db2.gz CVBZFSRKZCVFBL-UHFFFAOYSA-N 1 3 325.456 2.891 20 0 EFADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(Cc3ccc(C(F)(F)F)cn3)C2)C1 ZINC000652349433 482184329 /nfs/dbraw/zinc/18/43/29/482184329.db2.gz ORMDVYUGDXBTDY-XNRPHZJLSA-N 1 3 343.393 2.819 20 0 EFADHO [NH3+]C[C@]12CCC[C@H]1CN(CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000652351371 482186600 /nfs/dbraw/zinc/18/66/00/482186600.db2.gz TZBPQLNOLJHMHK-SJCJKPOMSA-N 1 3 339.842 2.869 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000652351371 482186603 /nfs/dbraw/zinc/18/66/03/482186603.db2.gz TZBPQLNOLJHMHK-SJCJKPOMSA-N 1 3 339.842 2.869 20 0 EFADHO NC[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000652351371 482186607 /nfs/dbraw/zinc/18/66/07/482186607.db2.gz TZBPQLNOLJHMHK-SJCJKPOMSA-N 1 3 339.842 2.869 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2ccc(C(F)(F)F)cn2)C1 ZINC000652363585 482195308 /nfs/dbraw/zinc/19/53/08/482195308.db2.gz IWQBYCZJNHDQMT-BMFZPTHFSA-N 1 3 343.393 2.961 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2ccc(C(F)(F)F)cn2)C1 ZINC000652363587 482195887 /nfs/dbraw/zinc/19/58/87/482195887.db2.gz IWQBYCZJNHDQMT-KBMXLJTQSA-N 1 3 343.393 2.961 20 0 EFADHO CC(C)N(C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000660900411 482206921 /nfs/dbraw/zinc/20/69/21/482206921.db2.gz JDJFMCFUGMSALR-LEWJYISDSA-N 1 3 347.547 2.672 20 0 EFADHO CC(C)N(C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000660900411 482206928 /nfs/dbraw/zinc/20/69/28/482206928.db2.gz JDJFMCFUGMSALR-LEWJYISDSA-N 1 3 347.547 2.672 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@]1(C)CO ZINC000668739231 482241486 /nfs/dbraw/zinc/24/14/86/482241486.db2.gz NANDTZURNZWPQF-UWJYYQICSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@]1(C)CO ZINC000668739231 482241490 /nfs/dbraw/zinc/24/14/90/482241490.db2.gz NANDTZURNZWPQF-UWJYYQICSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@]1(C)CO ZINC000668739228 482242454 /nfs/dbraw/zinc/24/24/54/482242454.db2.gz NANDTZURNZWPQF-UTKZUKDTSA-N 1 3 345.531 2.667 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CCN(C)CC2)C[C@@]1(C)CO ZINC000668739228 482242458 /nfs/dbraw/zinc/24/24/58/482242458.db2.gz NANDTZURNZWPQF-UTKZUKDTSA-N 1 3 345.531 2.667 20 0 EFADHO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCN(CC3CC3)C1)CO2 ZINC000663467109 482254531 /nfs/dbraw/zinc/25/45/31/482254531.db2.gz ZPLJIIXULYIZBI-AEFFLSMTSA-N 1 3 330.472 2.710 20 0 EFADHO c1ccc(N2CCC([NH2+]C[C@@H]3CCCN(CC4CC4)C3)CC2)nc1 ZINC000663467740 482255267 /nfs/dbraw/zinc/25/52/67/482255267.db2.gz HQMPIVDXHIAUAM-SFHVURJKSA-N 1 3 328.504 2.762 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000655353546 482279611 /nfs/dbraw/zinc/27/96/11/482279611.db2.gz UHZDFPSUNYGWEB-QRQLOZEOSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000655353546 482279616 /nfs/dbraw/zinc/27/96/16/482279616.db2.gz UHZDFPSUNYGWEB-QRQLOZEOSA-N 1 3 333.520 2.774 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663595923 482314909 /nfs/dbraw/zinc/31/49/09/482314909.db2.gz MRLWWTGGURDPQO-KRWDZBQOSA-N 1 3 330.476 2.650 20 0 EFADHO CNCc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663595923 482314914 /nfs/dbraw/zinc/31/49/14/482314914.db2.gz MRLWWTGGURDPQO-KRWDZBQOSA-N 1 3 330.476 2.650 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000661122568 482334638 /nfs/dbraw/zinc/33/46/38/482334638.db2.gz XHXUVCOJCYLTEQ-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN1CC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000661122568 482334642 /nfs/dbraw/zinc/33/46/42/482334642.db2.gz XHXUVCOJCYLTEQ-AEFFLSMTSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000661122571 482334738 /nfs/dbraw/zinc/33/47/38/482334738.db2.gz XHXUVCOJCYLTEQ-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO CCCN1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000661122571 482334740 /nfs/dbraw/zinc/33/47/40/482334740.db2.gz XHXUVCOJCYLTEQ-WMZOPIPTSA-N 1 3 336.524 2.567 20 0 EFADHO C[C@H]([NH3+])CNC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 ZINC000669051193 482359627 /nfs/dbraw/zinc/35/96/27/482359627.db2.gz HEZWMBIWDGCUFC-HNNXBMFYSA-N 1 3 340.471 2.562 20 0 EFADHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000168507943 533894018 /nfs/dbraw/zinc/89/40/18/533894018.db2.gz XCWMYOAPWSCWKQ-OQIJWPOYSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H](c1ccc(F)c(F)c1)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180946173 534054020 /nfs/dbraw/zinc/05/40/20/534054020.db2.gz XMJVHDVJPGXQCD-AWEZNQCLSA-N 1 3 325.447 2.984 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187307836 534289297 /nfs/dbraw/zinc/28/92/97/534289297.db2.gz KAVRDQVOUIGLSH-YLJYHZDGSA-N 1 3 342.483 2.964 20 0 EFADHO COC(=O)c1ccccc1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187307836 534289300 /nfs/dbraw/zinc/28/93/00/534289300.db2.gz KAVRDQVOUIGLSH-YLJYHZDGSA-N 1 3 342.483 2.964 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000179715729 519668663 /nfs/dbraw/zinc/66/86/63/519668663.db2.gz BPOJWNVILTYCDJ-KRWDZBQOSA-N 1 3 331.504 2.744 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000136332002 519671659 /nfs/dbraw/zinc/67/16/59/519671659.db2.gz KOOPNQYITKXDHE-UHFFFAOYSA-N 1 3 336.524 2.519 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000156445519 519731686 /nfs/dbraw/zinc/73/16/86/519731686.db2.gz HSLLZDZMTYYWOW-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CCCCC2)C1 ZINC000156445519 519731687 /nfs/dbraw/zinc/73/16/87/519731687.db2.gz HSLLZDZMTYYWOW-QGZVFWFLSA-N 1 3 338.540 2.528 20 0 EFADHO CCCNC(=O)CC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183131353 519872403 /nfs/dbraw/zinc/87/24/03/519872403.db2.gz NZIZQJHNODFGBC-SLFFLAALSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131353 519872405 /nfs/dbraw/zinc/87/24/05/519872405.db2.gz NZIZQJHNODFGBC-SLFFLAALSA-N 1 3 343.515 2.793 20 0 EFADHO CCCNC(=O)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183131353 519872406 /nfs/dbraw/zinc/87/24/06/519872406.db2.gz NZIZQJHNODFGBC-SLFFLAALSA-N 1 3 343.515 2.793 20 0 EFADHO CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N(C)C)C2)cc1 ZINC000356693040 534465164 /nfs/dbraw/zinc/46/51/64/534465164.db2.gz HNFJZDORJVVYEZ-RYGJVYDSSA-N 1 3 331.504 2.889 20 0 EFADHO CC[NH+](CC)CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000150994484 520610916 /nfs/dbraw/zinc/61/09/16/520610916.db2.gz SAHSWOZIICAWDN-UHFFFAOYSA-N 1 3 349.494 2.886 20 0 EFADHO CC[NH+](CC)CCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000079115041 520616750 /nfs/dbraw/zinc/61/67/50/520616750.db2.gz ALFCSLUIWQJANQ-LJQANCHMSA-N 1 3 346.519 2.855 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)CC(C)C ZINC000073596715 520861227 /nfs/dbraw/zinc/86/12/27/520861227.db2.gz QZAGOHAMRRDITD-SQNIBIBYSA-N 1 3 338.540 2.621 20 0 EFADHO CCN(CC)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1cccc(OC)c1 ZINC000180981560 520864312 /nfs/dbraw/zinc/86/43/12/520864312.db2.gz ULOHTESZYCCGTO-UYAOXDASSA-N 1 3 347.503 2.727 20 0 EFADHO CCCCSCCC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000120280487 520948319 /nfs/dbraw/zinc/94/83/19/520948319.db2.gz KCSFASSUAPNPTN-UHFFFAOYSA-N 1 3 341.565 2.585 20 0 EFADHO CC1CCN([C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)c2ccccc2)CC1 ZINC000236653725 521034384 /nfs/dbraw/zinc/03/43/84/521034384.db2.gz CREXELGUVIVFLO-PZJWPPBQSA-N 1 3 343.515 2.966 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000121343114 521686338 /nfs/dbraw/zinc/68/63/38/521686338.db2.gz KDOZHLLIJFTCJJ-IAGOWNOFSA-N 1 3 349.519 2.628 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)N2CCCCC2)[C@H](C)C1 ZINC000152667212 521707621 /nfs/dbraw/zinc/70/76/21/521707621.db2.gz LZMXZJHNWKKMCY-MOPGFXCFSA-N 1 3 339.568 2.978 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2csc(CC)n2)[C@@H](C)C1 ZINC000157080327 521708371 /nfs/dbraw/zinc/70/83/71/521708371.db2.gz JPSOMWHEUDLNJO-RDJZCZTQSA-N 1 3 339.549 2.975 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2csc(CC)n2)[C@@H](C)C1 ZINC000157080327 521708373 /nfs/dbraw/zinc/70/83/73/521708373.db2.gz JPSOMWHEUDLNJO-RDJZCZTQSA-N 1 3 339.549 2.975 20 0 EFADHO C[NH+](C)C[C@H](O)CNC(Cc1ccccc1F)Cc1ccccc1F ZINC000154296471 521857853 /nfs/dbraw/zinc/85/78/53/521857853.db2.gz JTRRTQONJZBERB-GOSISDBHSA-N 1 3 348.437 2.631 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000118879884 521890482 /nfs/dbraw/zinc/89/04/82/521890482.db2.gz WQYIKTRHUYDGGJ-CQSZACIVSA-N 1 3 341.455 2.709 20 0 EFADHO CN(C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000118879884 521890491 /nfs/dbraw/zinc/89/04/91/521890491.db2.gz WQYIKTRHUYDGGJ-CQSZACIVSA-N 1 3 341.455 2.709 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000081290882 521898947 /nfs/dbraw/zinc/89/89/47/521898947.db2.gz DUDNEHQCVUBKPN-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000081290882 521898954 /nfs/dbraw/zinc/89/89/54/521898954.db2.gz DUDNEHQCVUBKPN-IBGZPJMESA-N 1 3 329.488 2.743 20 0 EFADHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000245709657 523846870 /nfs/dbraw/zinc/84/68/70/523846870.db2.gz SNKGSHKXMCHUGC-HKUYNNGSSA-N 1 3 329.488 2.613 20 0 EFADHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000245709657 523846872 /nfs/dbraw/zinc/84/68/72/523846872.db2.gz SNKGSHKXMCHUGC-HKUYNNGSSA-N 1 3 329.488 2.613 20 0 EFADHO COc1ccc(CN2CCC(C[NH2+][C@H]3CCN(C)C[C@H]3C)CC2)cc1 ZINC000120676041 524024440 /nfs/dbraw/zinc/02/44/40/524024440.db2.gz ZEBZLMZTWNMKMT-UTKZUKDTSA-N 1 3 345.531 2.837 20 0 EFADHO CN1CC[C@@H]2[C@H](CCCN2C(=O)NCCCCCCC[NH+](C)C)C1 ZINC000182478848 524051743 /nfs/dbraw/zinc/05/17/43/524051743.db2.gz OKIRAWCDIBDWKU-QZTJIDSGSA-N 1 3 338.540 2.624 20 0 EFADHO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCC(CCC[NH+](C)C)CC1 ZINC000245949786 524146198 /nfs/dbraw/zinc/14/61/98/524146198.db2.gz SHJTYWYMIHMADM-KURKYZTESA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1CCCCCC1 ZINC000074503289 524259452 /nfs/dbraw/zinc/25/94/52/524259452.db2.gz HGMGMMVMKWGJMW-INIZCTEOSA-N 1 3 333.476 2.830 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072027649 524604838 /nfs/dbraw/zinc/60/48/38/524604838.db2.gz KWONXECZBYAHAE-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H](CN1CCCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072027649 524604846 /nfs/dbraw/zinc/60/48/46/524604846.db2.gz KWONXECZBYAHAE-ICSRJNTNSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000262988726 525009882 /nfs/dbraw/zinc/00/98/82/525009882.db2.gz NMABLHDBBSMSNR-YLJYHZDGSA-N 1 3 343.515 2.793 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H]2C)CC1 ZINC000177873678 525136594 /nfs/dbraw/zinc/13/65/94/525136594.db2.gz NVCWDZPMMBOUDT-WMZOPIPTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262943030 525285576 /nfs/dbraw/zinc/28/55/76/525285576.db2.gz IZJNSVHGMJKNSO-BJLQDIEVSA-N 1 3 329.488 2.675 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(CN2CCC(O)CC2)cc1)C1CCOCC1 ZINC000132830929 525521152 /nfs/dbraw/zinc/52/11/52/525521152.db2.gz NMKMEUQSXXMPJZ-MRXNPFEDSA-N 1 3 332.488 2.548 20 0 EFADHO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000183144762 525892533 /nfs/dbraw/zinc/89/25/33/525892533.db2.gz HMUQZXXFLVKIPR-DABHTEOTSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@@H](C)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144762 525892542 /nfs/dbraw/zinc/89/25/42/525892542.db2.gz HMUQZXXFLVKIPR-DABHTEOTSA-N 1 3 348.556 2.989 20 0 EFADHO CS[C@H](CO)[C@@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183144762 525892551 /nfs/dbraw/zinc/89/25/51/525892551.db2.gz HMUQZXXFLVKIPR-DABHTEOTSA-N 1 3 348.556 2.989 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000349089874 534900028 /nfs/dbraw/zinc/90/00/28/534900028.db2.gz TYOHLWPBTAVPMF-IBGZPJMESA-N 1 3 329.488 2.773 20 0 EFADHO COc1cccc(C[C@@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C2CC2)c1 ZINC000121328417 526075219 /nfs/dbraw/zinc/07/52/19/526075219.db2.gz GORWCVSKMLYDIL-PZJWPPBQSA-N 1 3 346.515 2.699 20 0 EFADHO C[C@@H](c1ccccc1)N1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000074678847 526091382 /nfs/dbraw/zinc/09/13/82/526091382.db2.gz GTNJNOHPJVIRHG-INIZCTEOSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000237407839 526095626 /nfs/dbraw/zinc/09/56/26/526095626.db2.gz HBEFQJKBCCQLRY-MRXNPFEDSA-N 1 3 329.488 2.718 20 0 EFADHO C[C@@H](c1ccccc1Cl)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519150 526102740 /nfs/dbraw/zinc/10/27/40/526102740.db2.gz TZSVVZNSMAESIZ-AWEZNQCLSA-N 1 3 337.895 2.791 20 0 EFADHO O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000152804353 526382043 /nfs/dbraw/zinc/38/20/43/526382043.db2.gz DNFSODBIUWNPES-FUHWJXTLSA-N 1 3 347.478 2.544 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2CN2CCCCC2)C1 ZINC000237871035 527350245 /nfs/dbraw/zinc/35/02/45/527350245.db2.gz GYPMAQOIQXQQRG-VQIMIIECSA-N 1 3 329.488 2.806 20 0 EFADHO [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3ccc(Br)cc3)C[C@@H]21 ZINC000230046557 527353505 /nfs/dbraw/zinc/35/35/05/527353505.db2.gz QOSCEVLSTOKOMN-UHOFOFEASA-N 1 3 339.277 2.887 20 0 EFADHO O=C(NC1CC[NH+](CC2CC2)CC1)c1cccc(CN2CCCC2)c1 ZINC000193468098 527527965 /nfs/dbraw/zinc/52/79/65/527527965.db2.gz APTMDELVVPSRNL-UHFFFAOYSA-N 1 3 341.499 2.887 20 0 EFADHO CC[N@@H+]1CC[C@@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469414 527801682 /nfs/dbraw/zinc/80/16/82/527801682.db2.gz BAAXUQUXWJXKON-DBXWQHBBSA-N 1 3 345.531 2.727 20 0 EFADHO CC[N@H+]1CC[C@@H](NCc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469414 527801692 /nfs/dbraw/zinc/80/16/92/527801692.db2.gz BAAXUQUXWJXKON-DBXWQHBBSA-N 1 3 345.531 2.727 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)[C@H](C)C1 ZINC000153469414 527801696 /nfs/dbraw/zinc/80/16/96/527801696.db2.gz BAAXUQUXWJXKON-DBXWQHBBSA-N 1 3 345.531 2.727 20 0 EFADHO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000179641114 527837629 /nfs/dbraw/zinc/83/76/29/527837629.db2.gz NKLJOOVTWUETTN-WOJBJXKFSA-N 1 3 346.515 2.937 20 0 EFADHO CC(C)OC1CC([NH2+]Cc2ccccc2CN2CCC(O)CC2)C1 ZINC000189544014 527882442 /nfs/dbraw/zinc/88/24/42/527882442.db2.gz GMVZUUDCINCECM-UHFFFAOYSA-N 1 3 332.488 2.689 20 0 EFADHO CC1(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC[NH2+]CC1 ZINC000183329468 527968633 /nfs/dbraw/zinc/96/86/33/527968633.db2.gz XTNOQSRKYIMBTJ-QGZVFWFLSA-N 1 3 347.478 2.544 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CN[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000165990115 528038336 /nfs/dbraw/zinc/03/83/36/528038336.db2.gz BGWAUSANLMCMFJ-CRAIPNDOSA-N 1 3 349.475 2.651 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130851855 528082071 /nfs/dbraw/zinc/08/20/71/528082071.db2.gz BINGXOGFNASGDH-IEBWSBKVSA-N 1 3 331.504 2.840 20 0 EFADHO CCN(CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000130851855 528082072 /nfs/dbraw/zinc/08/20/72/528082072.db2.gz BINGXOGFNASGDH-IEBWSBKVSA-N 1 3 331.504 2.840 20 0 EFADHO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CCC(O)CC3)cc2)C1(C)C ZINC000179641125 528098904 /nfs/dbraw/zinc/09/89/04/528098904.db2.gz NKLJOOVTWUETTN-UXHICEINSA-N 1 3 346.515 2.937 20 0 EFADHO CC[NH+](CC)CCOc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000174657730 528154672 /nfs/dbraw/zinc/15/46/72/528154672.db2.gz AYRWLUCPNDCBRZ-UHFFFAOYSA-N 1 3 333.476 2.688 20 0 EFADHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000171940272 528193252 /nfs/dbraw/zinc/19/32/52/528193252.db2.gz KOUXBGNTVLZLGX-UHFFFAOYSA-N 1 3 333.476 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131374250 528352037 /nfs/dbraw/zinc/35/20/37/528352037.db2.gz KXMXLQQGGGSLPD-FQEVSTJZSA-N 1 3 345.531 2.943 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000131374250 528352041 /nfs/dbraw/zinc/35/20/41/528352041.db2.gz KXMXLQQGGGSLPD-FQEVSTJZSA-N 1 3 345.531 2.943 20 0 EFADHO CC[NH+]1CCC(N[C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000159298390 528988841 /nfs/dbraw/zinc/98/88/41/528988841.db2.gz KCBZYEKBVLGKJY-AWEZNQCLSA-N 1 3 339.505 2.583 20 0 EFADHO CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C1CC[NH+](C)CC1 ZINC000183913778 528989444 /nfs/dbraw/zinc/98/94/44/528989444.db2.gz TWAZRPWUCXMISA-IBGZPJMESA-N 1 3 331.504 2.601 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178004948 529143561 /nfs/dbraw/zinc/14/35/61/529143561.db2.gz JKQOSEPWXAIQNP-KRWDZBQOSA-N 1 3 331.504 2.690 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000154512264 529143605 /nfs/dbraw/zinc/14/36/05/529143605.db2.gz UZQXSPYOBFNCAD-IBGZPJMESA-N 1 3 331.504 2.908 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000154456085 529143621 /nfs/dbraw/zinc/14/36/21/529143621.db2.gz QXHZOPPPQAMBIC-KRWDZBQOSA-N 1 3 346.519 2.713 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154244290 529144879 /nfs/dbraw/zinc/14/48/79/529144879.db2.gz PIPJUJZCUHJHHR-GOSISDBHSA-N 1 3 335.467 2.657 20 0 EFADHO CCN1CCN(CCC[NH2+][C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000154305764 529144917 /nfs/dbraw/zinc/14/49/17/529144917.db2.gz RJADCXREVHZDMG-HNNXBMFYSA-N 1 3 332.517 2.975 20 0 EFADHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(OC)c(OC)c1 ZINC000154263155 529161500 /nfs/dbraw/zinc/16/15/00/529161500.db2.gz NINDGQJYMGPKCP-GOSISDBHSA-N 1 3 349.519 2.772 20 0 EFADHO CCCN1CCN(c2ccccc2CN2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000414660561 534935704 /nfs/dbraw/zinc/93/57/04/534935704.db2.gz OOMKNPDVMQPUMD-RBUKOAKNSA-N 1 3 344.547 2.778 20 0 EFADHO CC(C)[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000433156049 534985468 /nfs/dbraw/zinc/98/54/68/534985468.db2.gz HSBVMCCBHQPVFV-WDSOQIARSA-N 1 3 331.504 2.729 20 0 EFADHO CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000193217220 535036789 /nfs/dbraw/zinc/03/67/89/535036789.db2.gz WHNAXEDGHKPRKU-IBGZPJMESA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)N(C)C)CC1CCC1 ZINC000193217220 535036798 /nfs/dbraw/zinc/03/67/98/535036798.db2.gz WHNAXEDGHKPRKU-IBGZPJMESA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cnc(C(C)(C)C)s2)CC1 ZINC000344637686 535165511 /nfs/dbraw/zinc/16/55/11/535165511.db2.gz ITPXYYYURYZOQF-UHFFFAOYSA-N 1 3 325.522 2.766 20 0 EFADHO CC(C)N1CCC(O)(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)CC1 ZINC000344636497 535166029 /nfs/dbraw/zinc/16/60/29/535166029.db2.gz GOZXHDISXJIBDC-QUCCMNQESA-N 1 3 345.531 2.647 20 0 EFADHO CC(C)([NH3+])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000236784587 535193969 /nfs/dbraw/zinc/19/39/69/535193969.db2.gz IGGLCGBOEXFFGA-UHFFFAOYSA-N 1 3 329.488 2.771 20 0 EFADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000417093614 535211649 /nfs/dbraw/zinc/21/16/49/535211649.db2.gz BTBKJPUGAGQUEU-MOPGFXCFSA-N 1 3 346.519 2.666 20 0 EFADHO CCCN(C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417223808 535222155 /nfs/dbraw/zinc/22/21/55/535222155.db2.gz SZYSOOUADKXGJW-UHOSZYNNSA-N 1 3 344.503 2.605 20 0 EFADHO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000414194078 535267454 /nfs/dbraw/zinc/26/74/54/535267454.db2.gz NBVXPGVYYADSHE-RTBURBONSA-N 1 3 339.568 2.833 20 0 EFADHO CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)C(C)(C)C)c2)CC1 ZINC000236713878 535281833 /nfs/dbraw/zinc/28/18/33/535281833.db2.gz ALVQANGWQLLVII-GOSISDBHSA-N 1 3 331.504 2.908 20 0 EFADHO CC[NH2+]CC1CCN(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)CC1 ZINC000418343339 535454223 /nfs/dbraw/zinc/45/42/23/535454223.db2.gz FNSFWFOSSBXRMP-IBGZPJMESA-N 1 3 346.519 2.841 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000349607881 535498441 /nfs/dbraw/zinc/49/84/41/535498441.db2.gz DPKZDXTWDMGKPG-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000349607881 535498446 /nfs/dbraw/zinc/49/84/46/535498446.db2.gz DPKZDXTWDMGKPG-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H](O)C[NH+]2CCC(C)CC2)C12CCCCC2 ZINC000344101633 535505561 /nfs/dbraw/zinc/50/55/61/535505561.db2.gz MTYNDJWIFWZLSH-GBESFXJTSA-N 1 3 338.536 2.797 20 0 EFADHO CC[NH+](CC)CCCN1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351273716 535508869 /nfs/dbraw/zinc/50/88/69/535508869.db2.gz XFAFFHOFLRXTDM-RTBURBONSA-N 1 3 339.568 2.930 20 0 EFADHO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[C@@H](C)CCN2)cc1 ZINC000423306191 535556520 /nfs/dbraw/zinc/55/65/20/535556520.db2.gz SLABLEXOORLXLG-YJBOKZPZSA-N 1 3 333.476 2.734 20 0 EFADHO CCC[C@@]1(CO)CCN(CC(C)C[N@@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000344196177 535565133 /nfs/dbraw/zinc/56/51/33/535565133.db2.gz DSIOOYDNHQSZIF-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CCC[C@@]1(CO)CCN(CC(C)C[N@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000344196177 535565138 /nfs/dbraw/zinc/56/51/38/535565138.db2.gz DSIOOYDNHQSZIF-WOJBJXKFSA-N 1 3 340.552 2.592 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(F)c1 ZINC000349063733 535594230 /nfs/dbraw/zinc/59/42/30/535594230.db2.gz RGMJDISWXXIUDZ-KRWDZBQOSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(OC)c(F)c1 ZINC000349063733 535594234 /nfs/dbraw/zinc/59/42/34/535594234.db2.gz RGMJDISWXXIUDZ-KRWDZBQOSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C(C)(C)C)nc1 ZINC000349075462 535595312 /nfs/dbraw/zinc/59/53/12/535595312.db2.gz OJRLTXUZYCAWOC-SFHVURJKSA-N 1 3 347.551 2.622 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cnc(C(C)(C)C)nc1 ZINC000349075462 535595315 /nfs/dbraw/zinc/59/53/15/535595315.db2.gz OJRLTXUZYCAWOC-SFHVURJKSA-N 1 3 347.551 2.622 20 0 EFADHO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCCN(C)[C@@H]1C)c1ccccc1 ZINC000343601296 535673171 /nfs/dbraw/zinc/67/31/71/535673171.db2.gz LGTUZOXEQLRTKI-BHIYHBOVSA-N 1 3 346.519 2.851 20 0 EFADHO CCN1CCN(CCCC[NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421818310 535694513 /nfs/dbraw/zinc/69/45/13/535694513.db2.gz ABYYHPWXGQIFRX-GOSISDBHSA-N 1 3 325.541 2.732 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000346421129 535721647 /nfs/dbraw/zinc/72/16/47/535721647.db2.gz SJOWFQKQCYDXJZ-XLIONFOSSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CCN(Cc2ccc(N[C@H]3CC[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC000346421129 535721651 /nfs/dbraw/zinc/72/16/51/535721651.db2.gz SJOWFQKQCYDXJZ-XLIONFOSSA-N 1 3 330.520 2.576 20 0 EFADHO CCN1CC[C@H]([NH2+]CC2(N3CCC(OC)CC3)CCCC2)[C@@H](C)C1 ZINC000347436016 535768538 /nfs/dbraw/zinc/76/85/38/535768538.db2.gz VTYXFSMZJHQZII-HKUYNNGSSA-N 1 3 337.552 2.730 20 0 EFADHO CCN(Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1)C1CC1 ZINC000342721570 535781852 /nfs/dbraw/zinc/78/18/52/535781852.db2.gz HRXHHYMHDDEGEP-YSIASYRMSA-N 1 3 341.499 2.870 20 0 EFADHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347517375 535819679 /nfs/dbraw/zinc/81/96/79/535819679.db2.gz HNDHLLZQTDXCAW-OAHLLOKOSA-N 1 3 329.488 2.920 20 0 EFADHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CNC3)C1 ZINC000347517375 535819680 /nfs/dbraw/zinc/81/96/80/535819680.db2.gz HNDHLLZQTDXCAW-OAHLLOKOSA-N 1 3 329.488 2.920 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346285743 535861867 /nfs/dbraw/zinc/86/18/67/535861867.db2.gz MXQAZHZFWCAUOC-WBVHZDCISA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346285734 535862462 /nfs/dbraw/zinc/86/24/62/535862462.db2.gz MXQAZHZFWCAUOC-RDJZCZTQSA-N 1 3 337.895 2.748 20 0 EFADHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C1CC[NH+](C)CC1 ZINC000266200953 535863135 /nfs/dbraw/zinc/86/31/35/535863135.db2.gz YWMNCPMOZIMFSP-UHFFFAOYSA-N 1 3 337.895 2.572 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000356375589 535912282 /nfs/dbraw/zinc/91/22/82/535912282.db2.gz PADLETWEFVCWOU-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CN(C)CCOc1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000356375589 535912286 /nfs/dbraw/zinc/91/22/86/535912286.db2.gz PADLETWEFVCWOU-UHFFFAOYSA-N 1 3 348.491 2.623 20 0 EFADHO CN(C)C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)cc1 ZINC000418591258 535951651 /nfs/dbraw/zinc/95/16/51/535951651.db2.gz ULMQWHPCARZHQW-OAGGEKHMSA-N 1 3 338.883 2.512 20 0 EFADHO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C1 ZINC000265180155 535963936 /nfs/dbraw/zinc/96/39/36/535963936.db2.gz GLZJLVCWXQDRDN-GOSISDBHSA-N 1 3 329.488 2.696 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000418657200 535977121 /nfs/dbraw/zinc/97/71/21/535977121.db2.gz UFMGNYJGPHDGMZ-MJGOQNOKSA-N 1 3 346.519 2.765 20 0 EFADHO CCc1ccccc1[C@@H](N)CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000418657200 535977127 /nfs/dbraw/zinc/97/71/27/535977127.db2.gz UFMGNYJGPHDGMZ-MJGOQNOKSA-N 1 3 346.519 2.765 20 0 EFADHO C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCCN2C2CC2)cc1 ZINC000433559400 536008873 /nfs/dbraw/zinc/00/88/73/536008873.db2.gz HLMSYGULRSHVLI-LJQANCHMSA-N 1 3 344.503 2.564 20 0 EFADHO CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CCN(Cc2ccccc2)CC1 ZINC000418593778 536053167 /nfs/dbraw/zinc/05/31/67/536053167.db2.gz VXHRVNYCENLLEV-ROUUACIJSA-N 1 3 344.503 2.562 20 0 EFADHO CCn1cccc(CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1=O ZINC000433067976 536097940 /nfs/dbraw/zinc/09/79/40/536097940.db2.gz PPWDGUCKDPDDRV-MRXNPFEDSA-N 1 3 343.471 2.659 20 0 EFADHO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(CN3CCCCC3)c2)C1 ZINC000411944628 536136803 /nfs/dbraw/zinc/13/68/03/536136803.db2.gz NJMXRVGXJLQLQN-IBGZPJMESA-N 1 3 329.488 2.839 20 0 EFADHO CN(CCC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435612146 536305699 /nfs/dbraw/zinc/30/56/99/536305699.db2.gz FCOCSCRJAXZQLW-HKUYNNGSSA-N 1 3 329.488 2.644 20 0 EFADHO CN(CCN(C)C1CC1)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418492128 536366010 /nfs/dbraw/zinc/36/60/10/536366010.db2.gz UHHXUPJWPPEEEX-IBGZPJMESA-N 1 3 340.471 2.575 20 0 EFADHO CN1CCC[C@]2(CCN(C(=O)N[C@@H](CCC[NH3+])c3ccccc3)C2)C1 ZINC000418653098 536393152 /nfs/dbraw/zinc/39/31/52/536393152.db2.gz ACVOQBOMPUKHHW-ICSRJNTNSA-N 1 3 344.503 2.594 20 0 EFADHO C[N@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCOC(C)(C)C1 ZINC000344190360 536480702 /nfs/dbraw/zinc/48/07/02/536480702.db2.gz RDPHBGZHZKONCG-UHFFFAOYSA-N 1 3 347.547 2.845 20 0 EFADHO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCN1CCOC(C)(C)C1 ZINC000344190360 536480705 /nfs/dbraw/zinc/48/07/05/536480705.db2.gz RDPHBGZHZKONCG-UHFFFAOYSA-N 1 3 347.547 2.845 20 0 EFADHO COC(=O)[C@H](CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000425425125 536665238 /nfs/dbraw/zinc/66/52/38/536665238.db2.gz OBQLZLPMIXVBLT-OTWHNJEPSA-N 1 3 330.472 2.749 20 0 EFADHO COC(=O)[C@H](CC[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1)c1ccccc1 ZINC000425425125 536665243 /nfs/dbraw/zinc/66/52/43/536665243.db2.gz OBQLZLPMIXVBLT-OTWHNJEPSA-N 1 3 330.472 2.749 20 0 EFADHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1OC ZINC000414773502 536753435 /nfs/dbraw/zinc/75/34/35/536753435.db2.gz DLLWZIJLHMOKEP-JKSUJKDBSA-N 1 3 334.460 2.534 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CN)c(OC)c1 ZINC000414790921 536779455 /nfs/dbraw/zinc/77/94/55/536779455.db2.gz ARAADCGRZILHAS-SQWLQELKSA-N 1 3 349.475 2.528 20 0 EFADHO COc1ccc(NC(=O)C[C@H](C)N[C@@H]2CCCC[C@@H]2C[NH3+])c(OC)c1 ZINC000414790921 536779465 /nfs/dbraw/zinc/77/94/65/536779465.db2.gz ARAADCGRZILHAS-SQWLQELKSA-N 1 3 349.475 2.528 20 0 EFADHO COC[C@H](NCC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000423411193 536875238 /nfs/dbraw/zinc/87/52/38/536875238.db2.gz TVDMDJOIEXIFHG-INIZCTEOSA-N 1 3 326.868 2.633 20 0 EFADHO CN(C(=O)C1([NH3+])CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000261543028 545619666 /nfs/dbraw/zinc/61/96/66/545619666.db2.gz CPVFLENMQXTFFJ-UHFFFAOYSA-N 1 3 329.488 2.771 20 0 EFADHO CN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261541543 545619789 /nfs/dbraw/zinc/61/97/89/545619789.db2.gz BHBMCHQQXOTQEC-IPMKNSEASA-N 1 3 329.488 2.627 20 0 EFADHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccnn1-c1ccccc1 ZINC000282159815 545667022 /nfs/dbraw/zinc/66/70/22/545667022.db2.gz DIFFLEIIFJPWCS-QGZVFWFLSA-N 1 3 341.503 2.549 20 0 EFADHO CN(C(=O)c1cccc2c1CC[NH2+]C2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000311942843 545808324 /nfs/dbraw/zinc/80/83/24/545808324.db2.gz JUXQIBLOBAJBJK-LJQANCHMSA-N 1 3 349.478 2.679 20 0 EFADHO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000333333070 545874772 /nfs/dbraw/zinc/87/47/72/545874772.db2.gz WNLOXZPCNTTYMD-VAVNGKDRSA-N 1 3 346.519 2.625 20 0 EFADHO Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000339070615 545921797 /nfs/dbraw/zinc/92/17/97/545921797.db2.gz NQADAFBJIYXVKB-PMACEKPBSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339070615 545921804 /nfs/dbraw/zinc/92/18/04/545921804.db2.gz NQADAFBJIYXVKB-PMACEKPBSA-N 1 3 341.499 2.816 20 0 EFADHO Cc1ccc(C(=O)N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000339070615 545921809 /nfs/dbraw/zinc/92/18/09/545921809.db2.gz NQADAFBJIYXVKB-PMACEKPBSA-N 1 3 341.499 2.816 20 0 EFADHO C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000339070300 545922614 /nfs/dbraw/zinc/92/26/14/545922614.db2.gz LQXYRFSRSRMKOO-MSOLQXFVSA-N 1 3 337.577 2.955 20 0 EFADHO C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCCC1 ZINC000339070300 545922618 /nfs/dbraw/zinc/92/26/18/545922618.db2.gz LQXYRFSRSRMKOO-MSOLQXFVSA-N 1 3 337.577 2.955 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000339250763 545925245 /nfs/dbraw/zinc/92/52/45/545925245.db2.gz JMJLRLLWJKUPQB-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000339250763 545925248 /nfs/dbraw/zinc/92/52/48/545925248.db2.gz JMJLRLLWJKUPQB-KRWDZBQOSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000339252899 545925286 /nfs/dbraw/zinc/92/52/86/545925286.db2.gz IRLZJISTWPGMQS-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000339252899 545925290 /nfs/dbraw/zinc/92/52/90/545925290.db2.gz IRLZJISTWPGMQS-GOSISDBHSA-N 1 3 331.504 2.841 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000339250764 545925960 /nfs/dbraw/zinc/92/59/60/545925960.db2.gz JMJLRLLWJKUPQB-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000339250764 545925963 /nfs/dbraw/zinc/92/59/63/545925963.db2.gz JMJLRLLWJKUPQB-QGZVFWFLSA-N 1 3 349.494 2.980 20 0 EFADHO C[C@H]1CCCC[N@@H+]1CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000339271144 545926747 /nfs/dbraw/zinc/92/67/47/545926747.db2.gz AKCVEVXKRCYEEO-KRWDZBQOSA-N 1 3 347.503 2.967 20 0 EFADHO C[C@H]1CCCC[N@H+]1CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000339271144 545926749 /nfs/dbraw/zinc/92/67/49/545926749.db2.gz AKCVEVXKRCYEEO-KRWDZBQOSA-N 1 3 347.503 2.967 20 0 EFADHO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000341282843 545940092 /nfs/dbraw/zinc/94/00/92/545940092.db2.gz UBAKRHRDHJSHAP-LNLFQRSKSA-N 1 3 346.519 2.679 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000343438731 545958114 /nfs/dbraw/zinc/95/81/14/545958114.db2.gz DWFSIMWMDGTMKG-ZWKOTPCHSA-N 1 3 341.503 2.549 20 0 EFADHO CCC[C@]1(CO)CCN(CC[C@H](C)[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150966 545962761 /nfs/dbraw/zinc/96/27/61/545962761.db2.gz GMFIIFBHRWOXRK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN(CC[C@H](C)[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150966 545962765 /nfs/dbraw/zinc/96/27/65/545962765.db2.gz GMFIIFBHRWOXRK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN([C@@H](C)CC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150966 545962769 /nfs/dbraw/zinc/96/27/69/545962769.db2.gz GMFIIFBHRWOXRK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CCC[C@]1(CO)CCN([C@@H](C)CC[N@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000344150966 545962772 /nfs/dbraw/zinc/96/27/72/545962772.db2.gz GMFIIFBHRWOXRK-UFYCRDLUSA-N 1 3 340.552 2.734 20 0 EFADHO CCCN(CCN1CCCCC1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000352090056 546047328 /nfs/dbraw/zinc/04/73/28/546047328.db2.gz UTTNYCSOKLGQRI-QGZVFWFLSA-N 1 3 326.529 2.624 20 0 EFADHO CC(C)[NH2+][C@H]1CCCN(C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000390915691 546163511 /nfs/dbraw/zinc/16/35/11/546163511.db2.gz FAHYNPDPDYSLTG-LEWJYISDSA-N 1 3 345.531 2.740 20 0 EFADHO C[N@H+](CCCNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000392413981 546167283 /nfs/dbraw/zinc/16/72/83/546167283.db2.gz ULRBMGUFZZUXPS-UHFFFAOYSA-N 1 3 329.488 2.717 20 0 EFADHO C[N@@H+](CCCNC(=O)c1cccc2c1CCNC2)C1CCCCC1 ZINC000392413981 546167286 /nfs/dbraw/zinc/16/72/86/546167286.db2.gz ULRBMGUFZZUXPS-UHFFFAOYSA-N 1 3 329.488 2.717 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)c2cccc3c2CC[NH2+]C3)CN1Cc1ccccc1 ZINC000397980424 546170237 /nfs/dbraw/zinc/17/02/37/546170237.db2.gz LZQMUNOGUWQGJX-VQIMIIECSA-N 1 3 349.478 2.725 20 0 EFADHO CCCC[C@@H](CN)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000414817660 546193527 /nfs/dbraw/zinc/19/35/27/546193527.db2.gz SPOFDBCZIPFKFT-NSHDSACASA-N 1 3 329.238 2.785 20 0 EFADHO Cc1ccccc1CN1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000416970319 546205173 /nfs/dbraw/zinc/20/51/73/546205173.db2.gz DXBGMSJPNSNTJE-MJGOQNOKSA-N 1 3 344.503 2.529 20 0 EFADHO C[C@H](c1ccccc1)N1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417689972 546210869 /nfs/dbraw/zinc/21/08/69/546210869.db2.gz KOLVXTPENRMIFJ-SUMDDJOVSA-N 1 3 344.503 2.781 20 0 EFADHO O=C(N[C@H](CN1CCCCC1)c1ccccc1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444890 546450047 /nfs/dbraw/zinc/45/00/47/546450047.db2.gz WDKIZUKBWNPWNX-SBHAEUEKSA-N 1 3 341.499 2.720 20 0 EFADHO c1coc([C@H](CNC2CC[NH+](C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684775 546532078 /nfs/dbraw/zinc/53/20/78/546532078.db2.gz WNKQNOAKTYLOCM-OALUTQOASA-N 1 3 347.503 2.650 20 0 EFADHO c1coc([C@H](C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)N2CCCC2)c1 ZINC000655684775 546532085 /nfs/dbraw/zinc/53/20/85/546532085.db2.gz WNKQNOAKTYLOCM-OALUTQOASA-N 1 3 347.503 2.650 20 0 EFADHO CC(C)[C@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CCC(C)CC1 ZINC000655688814 546534178 /nfs/dbraw/zinc/53/41/78/546534178.db2.gz JUBGUKMIFCMOBF-PMACEKPBSA-N 1 3 337.552 2.586 20 0 EFADHO CCOCc1ccccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655695566 546536997 /nfs/dbraw/zinc/53/69/97/546536997.db2.gz NBDGBLWTQQPAGA-FQEVSTJZSA-N 1 3 332.488 2.956 20 0 EFADHO FC(F)Oc1cccc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655724866 546550754 /nfs/dbraw/zinc/55/07/54/546550754.db2.gz ITLMQGCLPFXTFT-OAHLLOKOSA-N 1 3 326.387 2.631 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cn(-c2ccccc2F)nc1C ZINC000655745828 546562320 /nfs/dbraw/zinc/56/23/20/546562320.db2.gz FSHZRLNRTKHZRV-QGZVFWFLSA-N 1 3 348.466 2.766 20 0 EFADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2CCc2noc3ccccc32)C1 ZINC000655942733 546649843 /nfs/dbraw/zinc/64/98/43/546649843.db2.gz YAXQEDSPXDWMIO-BJZITVGISA-N 1 3 329.444 2.731 20 0 EFADHO O=C(NCC[NH2+]C1CCCCCC1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000655963959 546652816 /nfs/dbraw/zinc/65/28/16/546652816.db2.gz VGBHHVXZAKQMMN-ROUUACIJSA-N 1 3 336.524 2.615 20 0 EFADHO CC(C)C[C@@H](CN1CCCC1)NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000656106384 546681275 /nfs/dbraw/zinc/68/12/75/546681275.db2.gz PJDVUPQIAMQSTJ-MSOLQXFVSA-N 1 3 338.540 2.669 20 0 EFADHO C[C@H](c1ccccc1F)N1CCC[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000656199061 546718312 /nfs/dbraw/zinc/71/83/12/546718312.db2.gz HCGQWSMCMDFRCI-BSXFFOKHSA-N 1 3 333.451 2.737 20 0 EFADHO CCc1nc(CN2CCC(C[NH2+][C@H]3CCC[C@@H](N)C3)CC2)cs1 ZINC000656197411 546718386 /nfs/dbraw/zinc/71/83/86/546718386.db2.gz HTPKWYMQQDXJFM-CVEARBPZSA-N 1 3 336.549 2.777 20 0 EFADHO COCCOc1cccc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000656784708 546923589 /nfs/dbraw/zinc/92/35/89/546923589.db2.gz GDLYGBYPTFBFLF-IBGZPJMESA-N 1 3 332.488 2.923 20 0 EFADHO Cn1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)c(-c2ccncc2)n1 ZINC000656786462 546924280 /nfs/dbraw/zinc/92/42/80/546924280.db2.gz SVZQHKZJQWUIPX-SFHVURJKSA-N 1 3 339.487 2.694 20 0 EFADHO Cn1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c(-c2cccnc2)n1 ZINC000656786701 546924626 /nfs/dbraw/zinc/92/46/26/546924626.db2.gz WNZXOGGUAGOVDU-QGZVFWFLSA-N 1 3 339.487 2.694 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC1(N)CCCC1 ZINC000656789149 546925622 /nfs/dbraw/zinc/92/56/22/546925622.db2.gz KRPULDJMYQFZQU-AWEZNQCLSA-N 1 3 337.895 2.938 20 0 EFADHO C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC1(N)CCCC1 ZINC000656789708 546925820 /nfs/dbraw/zinc/92/58/20/546925820.db2.gz WCRWMWVRAWZOPF-AWEZNQCLSA-N 1 3 337.895 2.938 20 0 EFADHO Cc1c(Br)cncc1CNCCC1CC[NH+](C)CC1 ZINC000657348309 547124128 /nfs/dbraw/zinc/12/41/28/547124128.db2.gz RAMRSWZEGXQGMB-UHFFFAOYSA-N 1 3 326.282 2.974 20 0 EFADHO CN(C)CCOc1ccc(CC[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000657351429 547125316 /nfs/dbraw/zinc/12/53/16/547125316.db2.gz OKTBHIJRGXNNGY-UHFFFAOYSA-N 1 3 342.487 2.570 20 0 EFADHO CC(C)[NH+]1CCC(O)(CNCc2cccc(OC3CC3)c2F)CC1 ZINC000657397747 547146358 /nfs/dbraw/zinc/14/63/58/547146358.db2.gz ZPVADNQXEATPSL-UHFFFAOYSA-N 1 3 336.451 2.692 20 0 EFADHO Cn1ncc(C2CC2)c1C[NH2+]CC1CCN(c2ccncc2)CC1 ZINC000657426251 547158041 /nfs/dbraw/zinc/15/80/41/547158041.db2.gz ZOEWUOOEPJXXRB-UHFFFAOYSA-N 1 3 325.460 2.699 20 0 EFADHO Cc1c[nH]c(CNCCc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000657426544 547158583 /nfs/dbraw/zinc/15/85/83/547158583.db2.gz HLHGHHNKERWKMH-UHFFFAOYSA-N 1 3 328.460 2.525 20 0 EFADHO Cn1ncc(C2CC2)c1C[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000657612627 547228509 /nfs/dbraw/zinc/22/85/09/547228509.db2.gz BOZHENPHMWOZBX-UHFFFAOYSA-N 1 3 339.487 2.694 20 0 EFADHO CN(c1ccccc1C[NH2+]C[C@@H](CO)CC1CC1)C1CCN(C)CC1 ZINC000657700711 547257518 /nfs/dbraw/zinc/25/75/18/547257518.db2.gz QQLYSSSYQZYPMX-SFHVURJKSA-N 1 3 345.531 2.715 20 0 EFADHO C[C@@H]([NH2+]CCCCN1CCN(C)CC1)c1cc2ccncc2s1 ZINC000657835470 547297511 /nfs/dbraw/zinc/29/75/11/547297511.db2.gz NGSAPAMSXYPKDU-OAHLLOKOSA-N 1 3 332.517 2.975 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000657838368 547298173 /nfs/dbraw/zinc/29/81/73/547298173.db2.gz SCXGOVJOQSBSCE-SJORKVTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@H](Cn1cncn1)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000657838368 547298180 /nfs/dbraw/zinc/29/81/80/547298180.db2.gz SCXGOVJOQSBSCE-SJORKVTESA-N 1 3 327.476 2.831 20 0 EFADHO C[C@@H](Cn1cncn1)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000657838988 547299054 /nfs/dbraw/zinc/29/90/54/547299054.db2.gz IZWBZNZEQWAAKJ-KURKYZTESA-N 1 3 341.503 2.934 20 0 EFADHO CCOC1CCC([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)CC1 ZINC000657846023 547301009 /nfs/dbraw/zinc/30/10/09/547301009.db2.gz ZFZIKBNAXMHNTI-UHFFFAOYSA-N 1 3 345.531 2.871 20 0 EFADHO COC1([C@H](C)[NH2+]Cc2ccccc2CN2CCC(O)CC2)CCC1 ZINC000657899832 547313312 /nfs/dbraw/zinc/31/33/12/547313312.db2.gz DFKJBWSLTIVEMS-INIZCTEOSA-N 1 3 332.488 2.691 20 0 EFADHO C[NH+]1CCC(Oc2ccc(CN[C@H]3CCCn4nccc43)cc2)CC1 ZINC000658006575 547333941 /nfs/dbraw/zinc/33/39/41/547333941.db2.gz KBIHCQOYEUDHJZ-IBGZPJMESA-N 1 3 340.471 2.981 20 0 EFADHO C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1 ZINC000658017687 547336931 /nfs/dbraw/zinc/33/69/31/547336931.db2.gz AEFOUCGUHZZQGG-HKUYNNGSSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@@H](Cn1cncn1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000658017687 547336935 /nfs/dbraw/zinc/33/69/35/547336935.db2.gz AEFOUCGUHZZQGG-HKUYNNGSSA-N 1 3 327.476 2.559 20 0 EFADHO C[C@@H](Cn1cncn1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000658017687 547336938 /nfs/dbraw/zinc/33/69/38/547336938.db2.gz AEFOUCGUHZZQGG-HKUYNNGSSA-N 1 3 327.476 2.559 20 0 EFADHO CC[C@H]([NH2+]CC1CCN(Cc2ccncc2)CC1)c1ccn(C)n1 ZINC000658163843 547377579 /nfs/dbraw/zinc/37/75/79/547377579.db2.gz BNAQWWMRYFEUFS-SFHVURJKSA-N 1 3 327.476 2.768 20 0 EFADHO CCn1ccnc1[C@@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658168151 547378468 /nfs/dbraw/zinc/37/84/68/547378468.db2.gz ZUEODEBOKPDZRW-MRXNPFEDSA-N 1 3 327.476 2.861 20 0 EFADHO CCn1ccnc1[C@H](C)[NH2+]CC1CCN(Cc2ccncc2)CC1 ZINC000658167989 547378581 /nfs/dbraw/zinc/37/85/81/547378581.db2.gz ZUEODEBOKPDZRW-INIZCTEOSA-N 1 3 327.476 2.861 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)c2nccn21 ZINC000658166470 547378742 /nfs/dbraw/zinc/37/87/42/547378742.db2.gz VFBZJVNCDNTLQA-YJBOKZPZSA-N 1 3 325.460 2.786 20 0 EFADHO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000671309768 547554329 /nfs/dbraw/zinc/55/43/29/547554329.db2.gz YWNLXPJVDRUEOJ-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000671309768 547554332 /nfs/dbraw/zinc/55/43/32/547554332.db2.gz YWNLXPJVDRUEOJ-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000672614710 547773829 /nfs/dbraw/zinc/77/38/29/547773829.db2.gz BLPGUKBZVAJUAB-KFWWJZLASA-N 1 3 347.425 2.536 20 0 EFADHO O=C(CCC(F)(F)F)N1CCC[C@@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000672614710 547773832 /nfs/dbraw/zinc/77/38/32/547773832.db2.gz BLPGUKBZVAJUAB-KFWWJZLASA-N 1 3 347.425 2.536 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)CCN(C)C ZINC000673944075 547993440 /nfs/dbraw/zinc/99/34/40/547993440.db2.gz IFUOGQHGBQJFIE-QGZVFWFLSA-N 1 3 347.503 2.573 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CCN(C)C ZINC000673944075 547993444 /nfs/dbraw/zinc/99/34/44/547993444.db2.gz IFUOGQHGBQJFIE-QGZVFWFLSA-N 1 3 347.503 2.573 20 0 EFADHO C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CCN1Cc1ccccc1 ZINC000674307921 548061252 /nfs/dbraw/zinc/06/12/52/548061252.db2.gz LEBQTOAFOORPRN-HKUYNNGSSA-N 1 3 331.504 2.888 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000675177764 548220194 /nfs/dbraw/zinc/22/01/94/548220194.db2.gz QRPSBMFCRRQUNB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000675177764 548220196 /nfs/dbraw/zinc/22/01/96/548220196.db2.gz QRPSBMFCRRQUNB-ZWKOTPCHSA-N 1 3 338.540 2.815 20 0 EFADHO CC[C@H](CN1CCCC1)NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000675192218 548225800 /nfs/dbraw/zinc/22/58/00/548225800.db2.gz PYEWEIRGKPFVSH-QGZVFWFLSA-N 1 3 326.529 2.669 20 0 EFADHO CCC[NH+]1CCC(N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000675734022 548341403 /nfs/dbraw/zinc/34/14/03/548341403.db2.gz VDLPDCQTRHKHAV-WIYYLYMNSA-N 1 3 345.531 2.740 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000675748877 548345163 /nfs/dbraw/zinc/34/51/63/548345163.db2.gz LHONPIWULBEYMM-WCIQWLHISA-N 1 3 339.568 2.691 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]CCN2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000675748883 548345510 /nfs/dbraw/zinc/34/55/10/548345510.db2.gz LHONPIWULBEYMM-ZRNYENFQSA-N 1 3 339.568 2.691 20 0 EFADHO NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCCCc3ccccc32)C1 ZINC000675821288 548359637 /nfs/dbraw/zinc/35/96/37/548359637.db2.gz HMZDYGZNPRMVDW-IEBWSBKVSA-N 1 3 329.488 2.631 20 0 EFADHO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCCc3ccccc32)C1 ZINC000675821288 548359641 /nfs/dbraw/zinc/35/96/41/548359641.db2.gz HMZDYGZNPRMVDW-IEBWSBKVSA-N 1 3 329.488 2.631 20 0 EFADHO COC1CCN(CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000675929484 548377670 /nfs/dbraw/zinc/37/76/70/548377670.db2.gz HOMVUGUIBQCWSJ-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO COC1CCN(CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000675929484 548377674 /nfs/dbraw/zinc/37/76/74/548377674.db2.gz HOMVUGUIBQCWSJ-QUCCMNQESA-N 1 3 345.531 2.740 20 0 EFADHO C[C@H]1COCCCN1Cc1ccccc1C[N@@H+]1CCCOC[C@@H]1C ZINC000677896435 548789482 /nfs/dbraw/zinc/78/94/82/548789482.db2.gz RQMLTTKRTVGMMJ-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO C[C@H]1COCCCN1Cc1ccccc1C[N@H+]1CCCOC[C@@H]1C ZINC000677896435 548789485 /nfs/dbraw/zinc/78/94/85/548789485.db2.gz RQMLTTKRTVGMMJ-ROUUACIJSA-N 1 3 332.488 2.908 20 0 EFADHO CN(Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccc2c(c1)OCO2 ZINC000678124402 548845558 /nfs/dbraw/zinc/84/55/58/548845558.db2.gz JZDJFEQVMPFPTH-UHFFFAOYSA-N 1 3 342.439 2.988 20 0 EFADHO C[NH+](C)CCC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678208184 548864656 /nfs/dbraw/zinc/86/46/56/548864656.db2.gz FVJPVAVNJIBWHN-UHFFFAOYSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)CCOc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000678216795 548866774 /nfs/dbraw/zinc/86/67/74/548866774.db2.gz GRXWBKPMXFTXOD-LJQANCHMSA-N 1 3 331.504 2.687 20 0 EFADHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1CCOc2ccccc21 ZINC000678340399 548903059 /nfs/dbraw/zinc/90/30/59/548903059.db2.gz UOXYTEBENZQVCM-IXIUHKBRSA-N 1 3 330.472 2.736 20 0 EFADHO CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000678603382 548959973 /nfs/dbraw/zinc/95/99/73/548959973.db2.gz SXNXLNQMFISMDD-SJORKVTESA-N 1 3 342.491 2.681 20 0 EFADHO CCN1CCCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000678660546 548971273 /nfs/dbraw/zinc/97/12/73/548971273.db2.gz CGJRFTMSXDYFSE-UHFFFAOYSA-N 1 3 348.491 2.577 20 0 EFADHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCN(C)CC3)CC2)C12CCCC2 ZINC000678923906 549018184 /nfs/dbraw/zinc/01/81/84/549018184.db2.gz FAIKRVSNYPXLTI-PMACEKPBSA-N 1 3 349.563 2.872 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680271443 549285028 /nfs/dbraw/zinc/28/50/28/549285028.db2.gz XDWAXVMEHPOZGS-UAFMIMERSA-N 1 3 343.515 2.744 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000680271443 549285032 /nfs/dbraw/zinc/28/50/32/549285032.db2.gz XDWAXVMEHPOZGS-UAFMIMERSA-N 1 3 343.515 2.744 20 0 EFADHO C[NH+](C)CCOc1ccc(CN2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000680332756 549300098 /nfs/dbraw/zinc/30/00/98/549300098.db2.gz BJBBMVSZTAWSLL-LJQANCHMSA-N 1 3 332.488 2.876 20 0 EFADHO C[C@H](CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)N1CCCCC1 ZINC000680353653 549303575 /nfs/dbraw/zinc/30/35/75/549303575.db2.gz JWZAURZVJYBPSG-CVEARBPZSA-N 1 3 328.464 2.577 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1 ZINC000681008980 549440765 /nfs/dbraw/zinc/44/07/65/549440765.db2.gz NINNHBMXAZBFFV-UXHICEINSA-N 1 3 332.488 2.922 20 0 EFADHO CN(Cc1ccc2ncccc2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681167265 549477178 /nfs/dbraw/zinc/47/71/78/549477178.db2.gz SNIZNXQUFGJFJD-FQEVSTJZSA-N 1 3 338.499 2.835 20 0 EFADHO CN(Cc1ccc2ncccc2c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000681167265 549477181 /nfs/dbraw/zinc/47/71/81/549477181.db2.gz SNIZNXQUFGJFJD-FQEVSTJZSA-N 1 3 338.499 2.835 20 0 EFADHO C[C@@H]1[C@H](C)N(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000681491179 549547943 /nfs/dbraw/zinc/54/79/43/549547943.db2.gz DTXKFOQVMCMJOE-MSOLQXFVSA-N 1 3 331.504 2.686 20 0 EFADHO COCC1=CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000681496125 549548840 /nfs/dbraw/zinc/54/88/40/549548840.db2.gz JPJAFDWNDTXJLR-UHFFFAOYSA-N 1 3 330.472 2.940 20 0 EFADHO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(OCCN(C)C)cc2)c1 ZINC000682420617 549736758 /nfs/dbraw/zinc/73/67/58/549736758.db2.gz XOTUGZKVYOIFRV-HXUWFJFHSA-N 1 3 342.483 2.629 20 0 EFADHO Cn1cc(CNCCOCC[NH+](C)C)c(-c2cc3ccccc3o2)n1 ZINC000682616397 549774547 /nfs/dbraw/zinc/77/45/47/549774547.db2.gz ZHJFKXUTAZAYQR-UHFFFAOYSA-N 1 3 342.443 2.501 20 0 EFADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000684792218 550094829 /nfs/dbraw/zinc/09/48/29/550094829.db2.gz DCGQTFKDOPFYNX-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CCN(CC2CC2)C1 ZINC000684792218 550094833 /nfs/dbraw/zinc/09/48/33/550094833.db2.gz DCGQTFKDOPFYNX-IEBWSBKVSA-N 1 3 348.535 2.567 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)C(C)(C)CC ZINC000684904890 550110870 /nfs/dbraw/zinc/11/08/70/550110870.db2.gz BCRBUOMSSRWJQA-INIZCTEOSA-N 1 3 326.529 2.575 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N(C)C(C)(C)CC ZINC000684904890 550110871 /nfs/dbraw/zinc/11/08/71/550110871.db2.gz BCRBUOMSSRWJQA-INIZCTEOSA-N 1 3 326.529 2.575 20 0 EFADHO CCN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000685440043 550152306 /nfs/dbraw/zinc/15/23/06/550152306.db2.gz BXODZJDBOIQXHQ-GOSISDBHSA-N 1 3 331.504 2.687 20 0 EFADHO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685447143 550152653 /nfs/dbraw/zinc/15/26/53/550152653.db2.gz WYJWJKLXUYDQTQ-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685447143 550152654 /nfs/dbraw/zinc/15/26/54/550152654.db2.gz WYJWJKLXUYDQTQ-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(OCCN(C)C)cc1 ZINC000685449100 550152717 /nfs/dbraw/zinc/15/27/17/550152717.db2.gz VLELQNCNWVXVJM-YLJYHZDGSA-N 1 3 331.504 2.686 20 0 EFADHO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685447142 550153134 /nfs/dbraw/zinc/15/31/34/550153134.db2.gz WYJWJKLXUYDQTQ-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(OCCN(C)C)cc1 ZINC000685447142 550153137 /nfs/dbraw/zinc/15/31/37/550153137.db2.gz WYJWJKLXUYDQTQ-GOSISDBHSA-N 1 3 347.503 2.508 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H]1CCOc2ccccc21 ZINC000685455878 550153651 /nfs/dbraw/zinc/15/36/51/550153651.db2.gz AHMYDEXHLUYEST-OALUTQOASA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C[C@@H]1CCOc2ccccc21 ZINC000685455878 550153653 /nfs/dbraw/zinc/15/36/53/550153653.db2.gz AHMYDEXHLUYEST-OALUTQOASA-N 1 3 345.531 2.901 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1F ZINC000685456204 550153722 /nfs/dbraw/zinc/15/37/22/550153722.db2.gz UNIUZJSUJFRTCN-KRWDZBQOSA-N 1 3 337.483 2.682 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc(OC)c1F ZINC000685456204 550153724 /nfs/dbraw/zinc/15/37/24/550153724.db2.gz UNIUZJSUJFRTCN-KRWDZBQOSA-N 1 3 337.483 2.682 20 0 EFADHO CN1CCC(N2CC[C@H]([N@H+](C)C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000685457963 550154255 /nfs/dbraw/zinc/15/42/55/550154255.db2.gz VBUMFPAVIOUWSW-GIVPXCGWSA-N 1 3 327.516 2.890 20 0 EFADHO CN1CCC(N2CC[C@H]([N@@H+](C)C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000685457963 550154256 /nfs/dbraw/zinc/15/42/56/550154256.db2.gz VBUMFPAVIOUWSW-GIVPXCGWSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685457963 550154259 /nfs/dbraw/zinc/15/42/59/550154259.db2.gz VBUMFPAVIOUWSW-GIVPXCGWSA-N 1 3 327.516 2.890 20 0 EFADHO CN(C[C@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457963 550154262 /nfs/dbraw/zinc/15/42/62/550154262.db2.gz VBUMFPAVIOUWSW-GIVPXCGWSA-N 1 3 327.516 2.890 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC2Cc3ccccc3C2)CC1 ZINC000685835045 550187074 /nfs/dbraw/zinc/18/70/74/550187074.db2.gz XPTRJOWBZPGDBZ-KDURUIRLSA-N 1 3 341.543 2.892 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC2Cc3ccccc3C2)CC1 ZINC000685835045 550187076 /nfs/dbraw/zinc/18/70/76/550187076.db2.gz XPTRJOWBZPGDBZ-KDURUIRLSA-N 1 3 341.543 2.892 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000685929880 550196217 /nfs/dbraw/zinc/19/62/17/550196217.db2.gz BAGNHLSDHIWXCR-LNLFQRSKSA-N 1 3 346.519 2.850 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000685929880 550196219 /nfs/dbraw/zinc/19/62/19/550196219.db2.gz BAGNHLSDHIWXCR-LNLFQRSKSA-N 1 3 346.519 2.850 20 0 EFADHO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000754159662 575399891 /nfs/dbraw/zinc/39/98/91/575399891.db2.gz FLZIQVMUPPIBSW-IRXDYDNUSA-N 1 3 346.519 2.791 20 0 EFADHO C[C@@H](NC(=O)N(C)Cc1ccc(CN(C)C)cc1)C(C)(C)C[NH+](C)C ZINC000754376137 575427161 /nfs/dbraw/zinc/42/71/61/575427161.db2.gz URUVFOVFDYFDRO-MRXNPFEDSA-N 1 3 348.535 2.866 20 0 EFADHO CN1CCN(CC2(C)CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000755234501 575563649 /nfs/dbraw/zinc/56/36/49/575563649.db2.gz FGSLHMJLNFUNQC-AWEZNQCLSA-N 1 3 334.335 2.530 20 0 EFADHO CN(C)CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000758604694 575873921 /nfs/dbraw/zinc/87/39/21/575873921.db2.gz RZQMQMYOBXYMPI-HXUWFJFHSA-N 1 3 346.446 2.763 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000758687137 575875564 /nfs/dbraw/zinc/87/55/64/575875564.db2.gz UDRPVKBLIZRTKQ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO C[C@H](CNC(=O)N(CCN(C)C)C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000758687137 575875565 /nfs/dbraw/zinc/87/55/65/575875565.db2.gz UDRPVKBLIZRTKQ-IAGOWNOFSA-N 1 3 338.540 2.623 20 0 EFADHO COc1ccc(Cl)cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000760703607 576064070 /nfs/dbraw/zinc/06/40/70/576064070.db2.gz PJTLWHLVRGNTQD-UHFFFAOYSA-N 1 3 326.868 2.674 20 0 EFADHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(OC(C)=O)cc2)C1 ZINC000762636113 576320247 /nfs/dbraw/zinc/32/02/47/576320247.db2.gz RDWCDEBUOCEQKU-IBGZPJMESA-N 1 3 334.460 2.545 20 0 EFADHO CN(C)C1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000763050778 576357550 /nfs/dbraw/zinc/35/75/50/576357550.db2.gz VAQAYGURNFVBSY-UHFFFAOYSA-N 1 3 329.488 2.594 20 0 EFADHO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ccc(OCCN(C)C)cc1 ZINC000763525437 576380153 /nfs/dbraw/zinc/38/01/53/576380153.db2.gz PMHGLWMROSGQOQ-QAPCUYQASA-N 1 3 332.444 2.822 20 0 EFADHO CC[N@H+](CCC1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1)CC1CC1 ZINC000763737979 576394357 /nfs/dbraw/zinc/39/43/57/576394357.db2.gz TUSUDLSVRPPQQE-SFHVURJKSA-N 1 3 334.504 2.916 20 0 EFADHO CC[N@@H+](CCC1CCN(C[C@@H]2CC3(CC3)C(=O)O2)CC1)CC1CC1 ZINC000763737979 576394358 /nfs/dbraw/zinc/39/43/58/576394358.db2.gz TUSUDLSVRPPQQE-SFHVURJKSA-N 1 3 334.504 2.916 20 0 EFADHO CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@H](C)C1CC[NH+](C)CC1 ZINC000764462908 576460493 /nfs/dbraw/zinc/46/04/93/576460493.db2.gz HHLJHPCZWYFFPK-XLIONFOSSA-N 1 3 345.531 2.786 20 0 EFADHO CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCCCC2)[C@H](C)C1 ZINC000765250050 577023353 /nfs/dbraw/zinc/02/33/53/577023353.db2.gz ASNVHXQVKZIQIK-QRVBRYPASA-N 1 3 325.541 2.587 20 0 EFADHO CCN1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C)C1 ZINC000765372534 577035992 /nfs/dbraw/zinc/03/59/92/577035992.db2.gz QWSLWFWZVGXSIF-QFBILLFUSA-N 1 3 329.488 2.743 20 0 EFADHO O=C(c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1)N1CCCC1 ZINC000765372655 577036065 /nfs/dbraw/zinc/03/60/65/577036065.db2.gz SOEHNAFPHNDIMW-UHFFFAOYSA-N 1 3 341.499 2.887 20 0 EFADHO COc1ccc2c(c1)nccc2N1CC[NH+](CC2CCOCC2)CC1 ZINC000765507587 577048341 /nfs/dbraw/zinc/04/83/41/577048341.db2.gz QTBDVBGKQAOHJP-UHFFFAOYSA-N 1 3 341.455 2.792 20 0 EFADHO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCCN(C)C)cc2)C1 ZINC000765629013 577060815 /nfs/dbraw/zinc/06/08/15/577060815.db2.gz GBVIIORRMSPGLB-RDJZCZTQSA-N 1 3 349.475 2.508 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000765817002 577080247 /nfs/dbraw/zinc/08/02/47/577080247.db2.gz ZRHPZJCLWGHOKK-UYAOXDASSA-N 1 3 343.515 2.889 20 0 EFADHO CNC(=O)c1ccc(CN(C)Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000768205371 577260859 /nfs/dbraw/zinc/26/08/59/577260859.db2.gz BBXQAAWCFXJVDH-UHFFFAOYSA-N 1 3 325.456 2.740 20 0 EFADHO CCN1CCN(Cc2ccccc2C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000768678645 577294521 /nfs/dbraw/zinc/29/45/21/577294521.db2.gz OTEHGWQRWWQKBA-UHFFFAOYSA-N 1 3 337.458 2.957 20 0 EFADHO CC[N@H+](CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1)CC1CC1 ZINC000771414721 581209692 /nfs/dbraw/zinc/20/96/92/581209692.db2.gz UKJJECGBNKAUFW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1)CC1CC1 ZINC000771414721 581209697 /nfs/dbraw/zinc/20/96/97/581209697.db2.gz UKJJECGBNKAUFW-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[NH+](CC)CCOC(=O)C1CCN(c2cc(C)cc(C)c2)C1=O ZINC000772042387 581274891 /nfs/dbraw/zinc/27/48/91/581274891.db2.gz QYNZPYPNXYPQOT-QGZVFWFLSA-N 1 3 332.444 2.541 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000773032864 581389411 /nfs/dbraw/zinc/38/94/11/581389411.db2.gz OVVVXIVALZAHCF-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000773032864 581389412 /nfs/dbraw/zinc/38/94/12/581389412.db2.gz OVVVXIVALZAHCF-MSOLQXFVSA-N 1 3 338.540 2.528 20 0 EFADHO CCOCCC[N@@H+]1CC[C@@H](NCCc2cnc(C)s2)[C@H](C)C1 ZINC000773084400 581395193 /nfs/dbraw/zinc/39/51/93/581395193.db2.gz ZAUFKJCLGZUUAV-RHSMWYFYSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@@H](NCCc2cnc(C)s2)[C@H](C)C1 ZINC000773084400 581395194 /nfs/dbraw/zinc/39/51/94/581395194.db2.gz ZAUFKJCLGZUUAV-RHSMWYFYSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@@H+]1CC[C@H](NCCc2cnc(C)s2)[C@H](C)C1 ZINC000773084399 581395198 /nfs/dbraw/zinc/39/51/98/581395198.db2.gz ZAUFKJCLGZUUAV-PBHICJAKSA-N 1 3 325.522 2.721 20 0 EFADHO CCOCCC[N@H+]1CC[C@H](NCCc2cnc(C)s2)[C@H](C)C1 ZINC000773084399 581395199 /nfs/dbraw/zinc/39/51/99/581395199.db2.gz ZAUFKJCLGZUUAV-PBHICJAKSA-N 1 3 325.522 2.721 20 0 EFADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1ccccc1 ZINC000725718139 581505989 /nfs/dbraw/zinc/50/59/89/581505989.db2.gz VCLRJJQFMSJOOA-TXSJJRPESA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1ccccc1 ZINC000725718139 581505990 /nfs/dbraw/zinc/50/59/90/581505990.db2.gz VCLRJJQFMSJOOA-TXSJJRPESA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1ccccc1 ZINC000725718140 581505996 /nfs/dbraw/zinc/50/59/96/581505996.db2.gz VCLRJJQFMSJOOA-ZWSWSHGQSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)/C=C(/C)c1ccccc1 ZINC000725718140 581505997 /nfs/dbraw/zinc/50/59/97/581505997.db2.gz VCLRJJQFMSJOOA-ZWSWSHGQSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc(Br)cs1 ZINC000817987768 1276426518 /nfs/dbraw/zinc/42/65/18/1276426518.db2.gz WVOONMNMWRHHMV-XWLWVQCSSA-N 1 3 330.295 2.944 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001753728569 1249989018 /nfs/dbraw/zinc/98/90/18/1249989018.db2.gz CKHSKZOFTZEAFS-CHWSQXEVSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCC=C(Cl)Cl ZINC001753728569 1249989026 /nfs/dbraw/zinc/98/90/26/1249989026.db2.gz CKHSKZOFTZEAFS-CHWSQXEVSA-N 1 3 336.307 2.616 20 0 EFADHO CC[C@]1(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC[NH2+]C1 ZINC000398129346 1250193150 /nfs/dbraw/zinc/19/31/50/1250193150.db2.gz JBOWFOPBWFCVHC-ICSRJNTNSA-N 1 3 331.504 2.649 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000109068180 1247807889 /nfs/dbraw/zinc/80/78/89/1247807889.db2.gz BGNHFGDEWOPUPV-QGZVFWFLSA-N 1 3 348.510 2.542 20 0 EFADHO CC(C)(C)OC(=O)N(CCC[NH2+][C@@H]1CCCC[C@H]1CN)C1CC1 ZINC000227619940 1248389709 /nfs/dbraw/zinc/38/97/09/1248389709.db2.gz LXXQQCKNHLGMLC-GOEBONIOSA-N 1 3 325.497 2.883 20 0 EFADHO O[C@@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850581110 1250547340 /nfs/dbraw/zinc/54/73/40/1250547340.db2.gz DBRVSZPWLLQXRV-INIZCTEOSA-N 1 3 328.378 2.601 20 0 EFADHO O[C@H](C[NH2+]C1CCN(CC2CC2)CC1)c1cc(F)c(F)c(F)c1 ZINC000850581112 1250547544 /nfs/dbraw/zinc/54/75/44/1250547544.db2.gz DBRVSZPWLLQXRV-MRXNPFEDSA-N 1 3 328.378 2.601 20 0 EFADHO C[C@@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716586511 1251361327 /nfs/dbraw/zinc/36/13/27/1251361327.db2.gz JUCQYESKZLYLFN-LZWOXQAQSA-N 1 3 325.497 2.610 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCCCF ZINC001752818935 1251495867 /nfs/dbraw/zinc/49/58/67/1251495867.db2.gz MEQAUXXEZGCCHF-ZWKOTPCHSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCCCF ZINC001752818935 1251495875 /nfs/dbraw/zinc/49/58/75/1251495875.db2.gz MEQAUXXEZGCCHF-ZWKOTPCHSA-N 1 3 341.515 2.970 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797012 1251755115 /nfs/dbraw/zinc/75/51/15/1251755115.db2.gz KZWHASWWYSCUKF-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000314797012 1251755118 /nfs/dbraw/zinc/75/51/18/1251755118.db2.gz KZWHASWWYSCUKF-OCCSQVGLSA-N 1 3 347.286 2.665 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003969949 1265614949 /nfs/dbraw/zinc/61/49/49/1265614949.db2.gz FPMXBDPWOQETBR-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@@H](c1ccc(F)cc1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003969949 1265614954 /nfs/dbraw/zinc/61/49/54/1265614954.db2.gz FPMXBDPWOQETBR-JKSUJKDBSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003971532 1265617415 /nfs/dbraw/zinc/61/74/15/1265617415.db2.gz QQDXKWHDTKAGNG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003971532 1265617422 /nfs/dbraw/zinc/61/74/22/1265617422.db2.gz QQDXKWHDTKAGNG-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1 ZINC001089401942 1252049045 /nfs/dbraw/zinc/04/90/45/1252049045.db2.gz ZRBSCCDLAFELKK-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC(C)(C)C1 ZINC001089401942 1252049051 /nfs/dbraw/zinc/04/90/51/1252049051.db2.gz ZRBSCCDLAFELKK-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@]1(C[NH2+]Cc2cccc(Cl)c2)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113129 1252264143 /nfs/dbraw/zinc/26/41/43/1252264143.db2.gz LDMWDKAAGBESLV-GOSISDBHSA-N 1 3 346.862 2.634 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001484111528 1252279568 /nfs/dbraw/zinc/27/95/68/1252279568.db2.gz FQCORWMOENDDFF-TZIWHRDSSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001106910678 1252415475 /nfs/dbraw/zinc/41/54/75/1252415475.db2.gz JQTRSCCFVFQBRD-IEBWSBKVSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccccc2CC)C1 ZINC001484352823 1252442213 /nfs/dbraw/zinc/44/22/13/1252442213.db2.gz MULKGPWOICADOG-XLIONFOSSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807441 1252765714 /nfs/dbraw/zinc/76/57/14/1252765714.db2.gz ZKYINXCQCVOEMK-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)N1CCCCC1 ZINC001089807441 1252765722 /nfs/dbraw/zinc/76/57/22/1252765722.db2.gz ZKYINXCQCVOEMK-OKYOBFRVSA-N 1 3 347.547 2.830 20 0 EFADHO CN(CCC[N@H+](C)C/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001484736703 1252873181 /nfs/dbraw/zinc/87/31/81/1252873181.db2.gz PIVWLGTWSMZHIC-LKQLOZHYSA-N 1 3 329.488 2.574 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C/c1ccccc1)C(=O)[C@H]1CCCN1C ZINC001484736703 1252873188 /nfs/dbraw/zinc/87/31/88/1252873188.db2.gz PIVWLGTWSMZHIC-LKQLOZHYSA-N 1 3 329.488 2.574 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)CC2(C)C)c1 ZINC000995892972 1254814645 /nfs/dbraw/zinc/81/46/45/1254814645.db2.gz GPNBCTINLDHGCN-OALUTQOASA-N 1 3 343.515 2.662 20 0 EFADHO CN(C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccsc3)C(C)(C)C2)CCC1 ZINC000995883727 1254831620 /nfs/dbraw/zinc/83/16/20/1254831620.db2.gz FLLHFCQRGXMCAC-OAHLLOKOSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)CN(C)C3CCC3)CC2(C)C)cs1 ZINC000995918527 1254841645 /nfs/dbraw/zinc/84/16/45/1254841645.db2.gz NYGMQYRQCMZVGK-QGZVFWFLSA-N 1 3 349.544 2.867 20 0 EFADHO CN(CC(=O)N1C[C@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1)C1CCC1 ZINC000995917721 1254842112 /nfs/dbraw/zinc/84/21/12/1254842112.db2.gz MIIYVFUWEUWFFE-KRWDZBQOSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)CC2(C)C)cc1 ZINC000995922437 1254844004 /nfs/dbraw/zinc/84/40/04/1254844004.db2.gz CYGZLVZVPCZMHZ-MOPGFXCFSA-N 1 3 345.531 2.908 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1)C1CC1 ZINC000995908210 1254851523 /nfs/dbraw/zinc/85/15/23/1254851523.db2.gz XVWSPIDLDGFBQH-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1)C1CC1 ZINC000995907929 1254851934 /nfs/dbraw/zinc/85/19/34/1254851934.db2.gz XMHOIFWUAGPCPR-ZWKOTPCHSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2csc(C)c2)C(C)(C)C1)N(C)C ZINC000995944396 1254859315 /nfs/dbraw/zinc/85/93/15/1254859315.db2.gz BWQMPPWQHSHDNH-CVEARBPZSA-N 1 3 337.533 2.723 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1)N(C)C ZINC000995949156 1254863789 /nfs/dbraw/zinc/86/37/89/1254863789.db2.gz LQXQLFKAZGILHP-MSOLQXFVSA-N 1 3 331.504 2.662 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2ccccc2)C(C)(C)C1)N(C)C ZINC000996244046 1255123707 /nfs/dbraw/zinc/12/37/07/1255123707.db2.gz FBPFVNOQVBLRKN-RTBURBONSA-N 1 3 345.531 2.642 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1)N(C)C ZINC000996246102 1255124551 /nfs/dbraw/zinc/12/45/51/1255124551.db2.gz JOHCACGIYJYUGH-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1)N(C)C ZINC000996246103 1255124855 /nfs/dbraw/zinc/12/48/55/1255124855.db2.gz JOHCACGIYJYUGH-ZWKOTPCHSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(C)(C)C1)N(C)C ZINC000996250352 1255128186 /nfs/dbraw/zinc/12/81/86/1255128186.db2.gz VRSHUUOKULQZAZ-QZTJIDSGSA-N 1 3 349.494 2.739 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC000996299881 1255184376 /nfs/dbraw/zinc/18/43/76/1255184376.db2.gz GGMVEEDCHJADJU-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN2CCC[C@H]2C)CC1(C)C ZINC000996299887 1255184418 /nfs/dbraw/zinc/18/44/18/1255184418.db2.gz GGPGNPIWXSPMGN-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC000996299689 1255184546 /nfs/dbraw/zinc/18/45/46/1255184546.db2.gz CEJSQMVEIRSVFH-VQIMIIECSA-N 1 3 343.515 2.663 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000996300488 1255184627 /nfs/dbraw/zinc/18/46/27/1255184627.db2.gz MXUNBJYQHHZCHJ-WMZOPIPTSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C(C)(C)C2)C1 ZINC000996300486 1255184731 /nfs/dbraw/zinc/18/47/31/1255184731.db2.gz MXUNBJYQHHZCHJ-FUHWJXTLSA-N 1 3 347.547 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)(C)C1 ZINC000996299902 1255184836 /nfs/dbraw/zinc/18/48/36/1255184836.db2.gz GNXFOZHHXCABOY-NVXWUHKLSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]([NH2+]CCC3CCCC3)C(C)(C)C2)C1 ZINC000996300047 1255184929 /nfs/dbraw/zinc/18/49/29/1255184929.db2.gz JEMDECDEVDNDQL-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]Cc2ccsc2)C(C)(C)C1 ZINC000996300448 1255184973 /nfs/dbraw/zinc/18/49/73/1255184973.db2.gz MLBCPZLPMLURQM-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC000996299993 1255185147 /nfs/dbraw/zinc/18/51/47/1255185147.db2.gz IEYGZJYYXYCFNQ-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C(C)(C)C1)N(C)C ZINC000996314656 1255196649 /nfs/dbraw/zinc/19/66/49/1255196649.db2.gz JQCYLDQVTJWTRU-RBUKOAKNSA-N 1 3 345.531 2.970 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2C)C(C)(C)C1)N(C)C ZINC000996313964 1255197058 /nfs/dbraw/zinc/19/70/58/1255197058.db2.gz GZSLOVKTBKBSTK-ZWKOTPCHSA-N 1 3 349.494 2.801 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)CC2(C)C)c1 ZINC000996315394 1255198266 /nfs/dbraw/zinc/19/82/66/1255198266.db2.gz ORCNQSQZZWFPLO-RBUKOAKNSA-N 1 3 345.531 2.916 20 0 EFADHO CC[C@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996353475 1255240231 /nfs/dbraw/zinc/24/02/31/1255240231.db2.gz AFOHCLHTCAZRHM-ROUUACIJSA-N 1 3 340.471 2.930 20 0 EFADHO C[C@H]([NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C)c1ccccc1 ZINC000996356171 1255243238 /nfs/dbraw/zinc/24/32/38/1255243238.db2.gz POXSDLYIEKITBK-YOEHRIQHSA-N 1 3 326.444 2.540 20 0 EFADHO Cc1cccc([C@H](C)[NH2+][C@H]2CN(C(=O)Cc3c[nH]cn3)CC2(C)C)c1 ZINC000996357372 1255244367 /nfs/dbraw/zinc/24/43/67/1255244367.db2.gz XJMQPZSJKKXUES-YJBOKZPZSA-N 1 3 340.471 2.848 20 0 EFADHO C[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)N1CCCCCC1 ZINC000996380774 1255262231 /nfs/dbraw/zinc/26/22/31/1255262231.db2.gz SBHZWMZUUQQLPO-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996505871 1255369846 /nfs/dbraw/zinc/36/98/46/1255369846.db2.gz JWNQWFAUJBNYGL-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CCN(C(=O)C3(N(C)C)CCC3)CC2)c1 ZINC000996662070 1255673375 /nfs/dbraw/zinc/67/33/75/1255673375.db2.gz CLJLUNDRMFGSCU-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c1 ZINC000996664175 1255678294 /nfs/dbraw/zinc/67/82/94/1255678294.db2.gz GNUABWHQYVFTPJ-UHFFFAOYSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN(C)C2CCC2)CC1)c1ccccc1 ZINC000996663960 1255682168 /nfs/dbraw/zinc/68/21/68/1255682168.db2.gz BRQCPDIDTOFVTN-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO Cc1cc(C[NH2+]C2CCN(C(=O)CN(C)C3CCC3)CC2)c(C)s1 ZINC000996666989 1255685740 /nfs/dbraw/zinc/68/57/40/1255685740.db2.gz VFGKTZRHSXAJIV-UHFFFAOYSA-N 1 3 349.544 2.930 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)C2(N(C)C)CCC2)CC1)c1ccccc1F ZINC000996664525 1255698067 /nfs/dbraw/zinc/69/80/67/1255698067.db2.gz JXPYGVBOJBHINA-HNNXBMFYSA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996665512 1255701400 /nfs/dbraw/zinc/70/14/00/1255701400.db2.gz CSMVKHLHJVBUHM-GOSISDBHSA-N 1 3 329.488 2.598 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)c1 ZINC000996677437 1255726572 /nfs/dbraw/zinc/72/65/72/1255726572.db2.gz JNYMXTOMVJAUHA-UZLBHIALSA-N 1 3 343.515 2.977 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)cc1C ZINC000996677605 1255726666 /nfs/dbraw/zinc/72/66/66/1255726666.db2.gz LNSHRPCFBCDPDC-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCc3ccccc32)CC1)C1CC1 ZINC000996678417 1255728092 /nfs/dbraw/zinc/72/80/92/1255728092.db2.gz NHPZAPDUKHZGDL-UXHICEINSA-N 1 3 341.499 2.595 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000996680063 1255733141 /nfs/dbraw/zinc/73/31/41/1255733141.db2.gz SIVLXWHEHFVVDZ-GOSISDBHSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000996680059 1255733254 /nfs/dbraw/zinc/73/32/54/1255733254.db2.gz SHMXEZVXADPSIF-SFHVURJKSA-N 1 3 349.906 2.761 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1)c1ccccc1F ZINC000996681237 1255735243 /nfs/dbraw/zinc/73/52/43/1255735243.db2.gz YIFZYWQPIQOPPS-AUUYWEPGSA-N 1 3 347.478 2.808 20 0 EFADHO Cc1ccc(CC[NH2+]C2CCN(C(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC000996694306 1255757592 /nfs/dbraw/zinc/75/75/92/1255757592.db2.gz SQCSMQKTHPWKDL-FQEVSTJZSA-N 1 3 345.531 2.704 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1)N(C)C ZINC000996711880 1255813809 /nfs/dbraw/zinc/81/38/09/1255813809.db2.gz MSWBZIWOCRZQHW-RBUKOAKNSA-N 1 3 347.478 2.734 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@H+](C/C=C\Cl)CC3)CCC1 ZINC001107436900 1255815950 /nfs/dbraw/zinc/81/59/50/1255815950.db2.gz XPUFXULXZXSBKZ-AUWPHISWSA-N 1 3 339.911 2.584 20 0 EFADHO CN(C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C/C=C\Cl)CC3)CCC1 ZINC001107436900 1255815966 /nfs/dbraw/zinc/81/59/66/1255815966.db2.gz XPUFXULXZXSBKZ-AUWPHISWSA-N 1 3 339.911 2.584 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485382 1255953779 /nfs/dbraw/zinc/95/37/79/1255953779.db2.gz YNWNEXHPPOAUQT-WSTZPKSXSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC001107485382 1255953786 /nfs/dbraw/zinc/95/37/86/1255953786.db2.gz YNWNEXHPPOAUQT-WSTZPKSXSA-N 1 3 333.520 2.632 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCCF)CC2)N(C)C ZINC001107554927 1256121817 /nfs/dbraw/zinc/12/18/17/1256121817.db2.gz OJWPYMFTJHOEEZ-YQVWRLOYSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCCF)CC2)N(C)C ZINC001107554927 1256121822 /nfs/dbraw/zinc/12/18/22/1256121822.db2.gz OJWPYMFTJHOEEZ-YQVWRLOYSA-N 1 3 341.515 2.827 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2)N(C)C ZINC001107555173 1256122760 /nfs/dbraw/zinc/12/27/60/1256122760.db2.gz VVGSGPRZWQLIEW-YQVWRLOYSA-N 1 3 349.544 2.949 20 0 EFADHO CC[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2)N(C)C ZINC001107555173 1256122774 /nfs/dbraw/zinc/12/27/74/1256122774.db2.gz VVGSGPRZWQLIEW-YQVWRLOYSA-N 1 3 349.544 2.949 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001107582256 1256179711 /nfs/dbraw/zinc/17/97/11/1256179711.db2.gz ZQRYAQPAXXQFQE-IEBWSBKVSA-N 1 3 349.544 2.951 20 0 EFADHO CCN(CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccsc1)CC2 ZINC001107582256 1256179716 /nfs/dbraw/zinc/17/97/16/1256179716.db2.gz ZQRYAQPAXXQFQE-IEBWSBKVSA-N 1 3 349.544 2.951 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001107614519 1256301689 /nfs/dbraw/zinc/30/16/89/1256301689.db2.gz DJYRNXFWRONVJU-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO CCCN(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1)CC2 ZINC001107614519 1256301695 /nfs/dbraw/zinc/30/16/95/1256301695.db2.gz DJYRNXFWRONVJU-TZIWHRDSSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107615460 1256303354 /nfs/dbraw/zinc/30/33/54/1256303354.db2.gz BRHPYGIYTFUSSQ-JUCJDPDUSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1N(C/C=C/Cl)CC2 ZINC001107615460 1256303362 /nfs/dbraw/zinc/30/33/62/1256303362.db2.gz BRHPYGIYTFUSSQ-JUCJDPDUSA-N 1 3 341.927 2.832 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107652129 1256366297 /nfs/dbraw/zinc/36/62/97/1256366297.db2.gz CZYCQFDFAPUIJM-IEBWSBKVSA-N 1 3 339.499 2.583 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc(CC)c2)CC1 ZINC001203456411 1256496950 /nfs/dbraw/zinc/49/69/50/1256496950.db2.gz XECPYVNNDWNRBG-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)c2ccccc2)CC1)N(C)C ZINC000996966146 1256582465 /nfs/dbraw/zinc/58/24/65/1256582465.db2.gz QKSJPKBWVBDTBR-VQIMIIECSA-N 1 3 331.504 2.914 20 0 EFADHO CCc1ccccc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC000996978300 1256599757 /nfs/dbraw/zinc/59/97/57/1256599757.db2.gz NWCOHFRHLPLPBN-HXUWFJFHSA-N 1 3 345.531 2.916 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000996994406 1256640923 /nfs/dbraw/zinc/64/09/23/1256640923.db2.gz HVDWXQWXYXQMIE-OAHLLOKOSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC000996995450 1256643755 /nfs/dbraw/zinc/64/37/55/1256643755.db2.gz OSKDYFZNDGEBSG-INIZCTEOSA-N 1 3 347.478 2.721 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]Cc3ccsc3)CC2)C1 ZINC000996999025 1256653041 /nfs/dbraw/zinc/65/30/41/1256653041.db2.gz LLOGRBXIVPZDEK-UHFFFAOYSA-N 1 3 335.517 2.561 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCC([NH2+]CCc3ccccc3)CC2)C1 ZINC000996998963 1256653940 /nfs/dbraw/zinc/65/39/40/1256653940.db2.gz LADWGMUAQHVWHG-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)C1 ZINC000997004472 1256665162 /nfs/dbraw/zinc/66/51/62/1256665162.db2.gz DHDSSHOVWILNSX-HNNXBMFYSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1ccc(C[NH2+]C2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)cc1C ZINC000997006527 1256668628 /nfs/dbraw/zinc/66/86/28/1256668628.db2.gz MPRADDZLTLLPHW-MRXNPFEDSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1)c1ccccc1 ZINC000997007153 1256670579 /nfs/dbraw/zinc/67/05/79/1256670579.db2.gz OXKXVUSHVYHCDV-SJORKVTESA-N 1 3 329.488 2.670 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC000997008590 1256675267 /nfs/dbraw/zinc/67/52/67/1256675267.db2.gz VSCQMTYMMGKNMF-HNNXBMFYSA-N 1 3 347.478 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(F)ccc2C)CC1)N(C)C ZINC000997011178 1256682096 /nfs/dbraw/zinc/68/20/96/1256682096.db2.gz XBTTVPQHZYWDRL-SFHVURJKSA-N 1 3 335.467 2.555 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CC2CCC(F)(F)CC2)CC1)N(C)C ZINC000997014807 1256687858 /nfs/dbraw/zinc/68/78/58/1256687858.db2.gz KSAWRNFBYSDZBF-INIZCTEOSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1)N(C)C ZINC000997014117 1256688148 /nfs/dbraw/zinc/68/81/48/1256688148.db2.gz GLUXTADFRYJOEW-KDOFPFPSSA-N 1 3 335.467 2.808 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2F)CC1)N(C)C ZINC000997015961 1256690124 /nfs/dbraw/zinc/69/01/24/1256690124.db2.gz SFCJMAHVFLRGTR-KSSFIOAISA-N 1 3 335.467 2.808 20 0 EFADHO CCc1ccc(CC[NH2+]C2CCN(C(=O)[C@H](CC)N(C)C)CC2)cc1 ZINC000997017332 1256692328 /nfs/dbraw/zinc/69/23/28/1256692328.db2.gz ZSTPJQJMTRYTFP-FQEVSTJZSA-N 1 3 345.531 2.712 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1cccc(Cl)c1 ZINC000997036532 1256721018 /nfs/dbraw/zinc/72/10/18/1256721018.db2.gz MOHUCQATNVYDRG-CYBMUJFWSA-N 1 3 346.862 2.947 20 0 EFADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccc(Cl)cc1 ZINC000997036623 1256722106 /nfs/dbraw/zinc/72/21/06/1256722106.db2.gz ORLWYXUCNHAIGW-CYBMUJFWSA-N 1 3 346.862 2.947 20 0 EFADHO Cc1cccc(C[NH2+]C2CCN(C(=O)CN3CCC(C)CC3)CC2)c1 ZINC000997114816 1256948673 /nfs/dbraw/zinc/94/86/73/1256948673.db2.gz HOPJZLNXLZHHKA-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1)N1CCCCC1 ZINC001032404802 1257119108 /nfs/dbraw/zinc/11/91/08/1257119108.db2.gz YOTYKANCGJQESH-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1)N1CCCCC1 ZINC001032404802 1257119110 /nfs/dbraw/zinc/11/91/10/1257119110.db2.gz YOTYKANCGJQESH-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCC1)[NH+]1CCCCC1 ZINC001032404802 1257119112 /nfs/dbraw/zinc/11/91/12/1257119112.db2.gz YOTYKANCGJQESH-ROUUACIJSA-N 1 3 333.520 2.726 20 0 EFADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001032407079 1257131743 /nfs/dbraw/zinc/13/17/43/1257131743.db2.gz BHCHSYZLSWKHCO-SLFFLAALSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@@H+]1C ZINC001032411379 1257158997 /nfs/dbraw/zinc/15/89/97/1257158997.db2.gz MYFDEOCTRFKFAE-XGXHKWSGSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCCC2)CC[N@H+]1C ZINC001032411379 1257159001 /nfs/dbraw/zinc/15/90/01/1257159001.db2.gz MYFDEOCTRFKFAE-XGXHKWSGSA-N 1 3 333.520 2.582 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000997306208 1257385605 /nfs/dbraw/zinc/38/56/05/1257385605.db2.gz AFAKDCZUYLXOPB-UHFFFAOYSA-N 1 3 349.906 2.559 20 0 EFADHO O=C(CN1CCCC1)N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000997307068 1257385829 /nfs/dbraw/zinc/38/58/29/1257385829.db2.gz NCZVPXVRVGJGQV-UHFFFAOYSA-N 1 3 341.908 2.578 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306691 1257386315 /nfs/dbraw/zinc/38/63/15/1257386315.db2.gz IISZDCSFGMOYMK-UHFFFAOYSA-N 1 3 349.906 2.825 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2cccs2)CC1 ZINC000997366377 1257455556 /nfs/dbraw/zinc/45/55/56/1257455556.db2.gz DOELQMNOINYHKD-SFHVURJKSA-N 1 3 349.544 2.746 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000997368676 1257467971 /nfs/dbraw/zinc/46/79/71/1257467971.db2.gz SGUDLXROQMHZQB-LJQANCHMSA-N 1 3 329.488 2.642 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000997368671 1257468214 /nfs/dbraw/zinc/46/82/14/1257468214.db2.gz SGUDLXROQMHZQB-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032433997 1257477314 /nfs/dbraw/zinc/47/73/14/1257477314.db2.gz XCEVIOGFDSOPAB-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032433997 1257477317 /nfs/dbraw/zinc/47/73/17/1257477317.db2.gz XCEVIOGFDSOPAB-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032433997 1257477320 /nfs/dbraw/zinc/47/73/20/1257477320.db2.gz XCEVIOGFDSOPAB-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032433997 1257477322 /nfs/dbraw/zinc/47/73/22/1257477322.db2.gz XCEVIOGFDSOPAB-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)N(C)C ZINC001032460230 1257535469 /nfs/dbraw/zinc/53/54/69/1257535469.db2.gz HHWIVIYPDCSHLM-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1)N(C)C ZINC001032460230 1257535473 /nfs/dbraw/zinc/53/54/73/1257535473.db2.gz HHWIVIYPDCSHLM-FHWLQOOXSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[NH+]1CCC([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC000997432185 1257578020 /nfs/dbraw/zinc/57/80/20/1257578020.db2.gz VWVAJYSBIJFGEW-MRXNPFEDSA-N 1 3 331.504 2.987 20 0 EFADHO CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910688 1257626303 /nfs/dbraw/zinc/62/63/03/1257626303.db2.gz UPRQQGOKNAIERX-FFGOWVMKSA-N 1 3 341.499 2.551 20 0 EFADHO CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccccc1CN(C)C ZINC001089910688 1257626308 /nfs/dbraw/zinc/62/63/08/1257626308.db2.gz UPRQQGOKNAIERX-FFGOWVMKSA-N 1 3 341.499 2.551 20 0 EFADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001032488367 1257817115 /nfs/dbraw/zinc/81/71/15/1257817115.db2.gz BGDYPZHXQDDMOB-VHZYLWGESA-N 1 3 347.547 2.971 20 0 EFADHO CC1CC(CN2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001032488367 1257817122 /nfs/dbraw/zinc/81/71/22/1257817122.db2.gz BGDYPZHXQDDMOB-VHZYLWGESA-N 1 3 347.547 2.971 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032493451 1257865753 /nfs/dbraw/zinc/86/57/53/1257865753.db2.gz UTMZYXUBRKRINI-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032493451 1257865766 /nfs/dbraw/zinc/86/57/66/1257865766.db2.gz UTMZYXUBRKRINI-UFYCRDLUSA-N 1 3 347.547 2.972 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000997611059 1258112396 /nfs/dbraw/zinc/11/23/96/1258112396.db2.gz CJXZSOUPNFQZKX-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(F)cc1 ZINC000997615880 1258118517 /nfs/dbraw/zinc/11/85/17/1258118517.db2.gz XFKDKKXCPXLRCY-HNAYVOBHSA-N 1 3 347.478 2.809 20 0 EFADHO CC1([NH+]2CCCC2)CCC(NCc2cc3c(cn2)OCCO3)CC1 ZINC000922503181 1266162771 /nfs/dbraw/zinc/16/27/71/1266162771.db2.gz HLPITILMEHXPOS-UHFFFAOYSA-N 1 3 331.460 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001203459756 1258146330 /nfs/dbraw/zinc/14/63/30/1258146330.db2.gz JLKIOBBQMBUXSP-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CN2CC1CCCCC1 ZINC001032538245 1258269816 /nfs/dbraw/zinc/26/98/16/1258269816.db2.gz OMCIBINHPXNGJW-SLFFLAALSA-N 1 3 345.531 2.726 20 0 EFADHO CCCCCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(OC)cc1 ZINC001168596083 1258383317 /nfs/dbraw/zinc/38/33/17/1258383317.db2.gz SBZKCSWSHYIVKL-UHFFFAOYSA-N 1 3 349.519 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC001203460288 1258402156 /nfs/dbraw/zinc/40/21/56/1258402156.db2.gz OQCVYNXQHSFVGU-UHFFFAOYSA-N 1 3 335.467 2.557 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001168600778 1258492662 /nfs/dbraw/zinc/49/26/62/1258492662.db2.gz CTROIQAMRVJLAQ-GBESFXJTSA-N 1 3 342.487 2.885 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC000997822337 1258494633 /nfs/dbraw/zinc/49/46/33/1258494633.db2.gz BIMLMWHPEJDDHP-UHFFFAOYSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000997829615 1258503109 /nfs/dbraw/zinc/50/31/09/1258503109.db2.gz BBZXUVVGSYNBIM-FQEVSTJZSA-N 1 3 343.515 2.663 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2CC3(CCC3)C2)CC1)C1CC1 ZINC000997831995 1258505337 /nfs/dbraw/zinc/50/53/37/1258505337.db2.gz XBQCATRBYIGTRT-IBGZPJMESA-N 1 3 347.547 2.735 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)C1CC1 ZINC000997831133 1258508749 /nfs/dbraw/zinc/50/87/49/1258508749.db2.gz RMBQATBEHLGPFA-IBGZPJMESA-N 1 3 333.520 2.655 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC000997844889 1258517120 /nfs/dbraw/zinc/51/71/20/1258517120.db2.gz RDXHKZDJPCNMHN-IBGZPJMESA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2=CCCCC2)CC1)N(C)C ZINC000997845137 1258517846 /nfs/dbraw/zinc/51/78/46/1258517846.db2.gz SPGWRENSDFKPMC-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1)N(C)C ZINC000997844356 1258518866 /nfs/dbraw/zinc/51/88/66/1258518866.db2.gz NFDATLMHGLOADG-IBGZPJMESA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1)N(C)C ZINC000997855135 1258529630 /nfs/dbraw/zinc/52/96/30/1258529630.db2.gz LXGZRTPGSYFMTO-WOJBJXKFSA-N 1 3 343.515 2.842 20 0 EFADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001203460752 1258540162 /nfs/dbraw/zinc/54/01/62/1258540162.db2.gz WNOAEVRZEKFCDR-KRWDZBQOSA-N 1 3 331.504 2.978 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC000997857131 1258541122 /nfs/dbraw/zinc/54/11/22/1258541122.db2.gz WPWYTRBRUOAAPG-HXUWFJFHSA-N 1 3 345.531 2.972 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000997949445 1258825261 /nfs/dbraw/zinc/82/52/61/1258825261.db2.gz NDBIRYPPJQWNDK-CABCVRRESA-N 1 3 349.441 2.736 20 0 EFADHO CCN(C(=O)[C@@H]1CCCN1C)[C@@H]1CCC[N@@H+](CCC(F)(F)F)CC1 ZINC000997949445 1258825271 /nfs/dbraw/zinc/82/52/71/1258825271.db2.gz NDBIRYPPJQWNDK-CABCVRRESA-N 1 3 349.441 2.736 20 0 EFADHO C[C@@H](F)CC[NH+]1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001004205010 1266218028 /nfs/dbraw/zinc/21/80/28/1266218028.db2.gz XQZBSNYAQQGJAQ-OAHLLOKOSA-N 1 3 335.467 2.691 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2)CC1)N(C)C ZINC000998040357 1259001633 /nfs/dbraw/zinc/00/16/33/1259001633.db2.gz RDXHKZDJPCNMHN-LJQANCHMSA-N 1 3 331.504 2.601 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)N(C)C)CC2)cc1 ZINC000998040998 1259002938 /nfs/dbraw/zinc/00/29/38/1259002938.db2.gz XXWXUZUSYVZARA-HXUWFJFHSA-N 1 3 345.531 2.909 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000998081199 1259078993 /nfs/dbraw/zinc/07/89/93/1259078993.db2.gz GSMLAHOKZVEWLQ-QGZVFWFLSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC000998080911 1259079013 /nfs/dbraw/zinc/07/90/13/1259079013.db2.gz FPXMSESXJZAFMF-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1C[NH2+]CC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC000998081279 1259079284 /nfs/dbraw/zinc/07/92/84/1259079284.db2.gz ICXFIEDJVULRLZ-QGZVFWFLSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC(C[NH2+]CC3CCC(C)CC3)CC2)C1 ZINC000998080498 1259081962 /nfs/dbraw/zinc/08/19/62/1259081962.db2.gz BENQKOUFNVRZHP-XBMUEBEBSA-N 1 3 349.563 2.983 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC000998080525 1259082879 /nfs/dbraw/zinc/08/28/79/1259082879.db2.gz CENBGFDEULBSCA-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1cccc(C[NH2+]CC2CCN(C(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC000998082978 1259086199 /nfs/dbraw/zinc/08/61/99/1259086199.db2.gz SDZSYCAOKORQHM-GOSISDBHSA-N 1 3 343.515 2.665 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2C)CC1)N(C)C ZINC000998087449 1259092375 /nfs/dbraw/zinc/09/23/75/1259092375.db2.gz WPWYTRBRUOAAPG-FQEVSTJZSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1)N(C)C ZINC000998087891 1259092777 /nfs/dbraw/zinc/09/27/77/1259092777.db2.gz YWIXZOKVFLKNJY-IBGZPJMESA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H]([NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1)c1ccccc1F ZINC000998119470 1259129799 /nfs/dbraw/zinc/12/97/99/1259129799.db2.gz LZJOYHWTCQYUFI-CQSZACIVSA-N 1 3 344.434 2.681 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000998116488 1259131114 /nfs/dbraw/zinc/13/11/14/1259131114.db2.gz UTHDSAJMHSJXLC-UHFFFAOYSA-N 1 3 340.471 2.543 20 0 EFADHO Cc1ccc(C[NH2+]CC2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000998275304 1259357982 /nfs/dbraw/zinc/35/79/82/1259357982.db2.gz SUXSZQMKSRDOBQ-UHFFFAOYSA-N 1 3 343.515 2.727 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC000998289450 1259384832 /nfs/dbraw/zinc/38/48/32/1259384832.db2.gz MBEFQMCKYPZRHM-NKELODKYSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C)(C)CC1 ZINC001032626946 1259424917 /nfs/dbraw/zinc/42/49/17/1259424917.db2.gz PDFNKLAKFRCVJX-WDSOQIARSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC(C)(C)CC1 ZINC001032626946 1259424922 /nfs/dbraw/zinc/42/49/22/1259424922.db2.gz PDFNKLAKFRCVJX-WDSOQIARSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032627924 1259431152 /nfs/dbraw/zinc/43/11/52/1259431152.db2.gz MSTOAHWNFDOQEV-WDSOQIARSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC(C)(C)CC2)C1 ZINC001032627924 1259431154 /nfs/dbraw/zinc/43/11/54/1259431154.db2.gz MSTOAHWNFDOQEV-WDSOQIARSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998536320 1259653905 /nfs/dbraw/zinc/65/39/05/1259653905.db2.gz RHAVNNXIMDIGTK-ORHYLEIMSA-N 1 3 341.908 2.575 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000998552038 1259672701 /nfs/dbraw/zinc/67/27/01/1259672701.db2.gz SCAMCLGEUDGCCD-ABHNRTSZSA-N 1 3 349.906 2.556 20 0 EFADHO C[C@H]1CCCN(C(=O)CN(C)C2CCC2)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001036556695 1259675726 /nfs/dbraw/zinc/67/57/26/1259675726.db2.gz PQJNGDRLVXOQMS-FXAWDEMLSA-N 1 3 343.515 2.888 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000998550625 1259676606 /nfs/dbraw/zinc/67/66/06/1259676606.db2.gz NJSJOJBHYPRFFE-DAWZGUTISA-N 1 3 335.536 2.876 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998553023 1259680077 /nfs/dbraw/zinc/68/00/77/1259680077.db2.gz UZMNCZAUSAZCTO-DAWZGUTISA-N 1 3 333.520 2.630 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000998553017 1259680152 /nfs/dbraw/zinc/68/01/52/1259680152.db2.gz UZMNCZAUSAZCTO-ABHNRTSZSA-N 1 3 333.520 2.630 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000998725693 1259878852 /nfs/dbraw/zinc/87/88/52/1259878852.db2.gz XADUPFLEWCIZNJ-WMZOPIPTSA-N 1 3 341.455 2.608 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000998725297 1259878988 /nfs/dbraw/zinc/87/89/88/1259878988.db2.gz WHZFBJYHQATDRF-TZMCWYRMSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c(Cl)c1 ZINC000998730859 1259881875 /nfs/dbraw/zinc/88/18/75/1259881875.db2.gz LDNZOAXPRLBKFH-WMZOPIPTSA-N 1 3 349.906 2.823 20 0 EFADHO CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000711048908 1259936071 /nfs/dbraw/zinc/93/60/71/1259936071.db2.gz LVYPPTFJEQCPMI-FHWLQOOXSA-N 1 3 329.488 2.627 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]2CC1 ZINC000946518415 1260295958 /nfs/dbraw/zinc/29/59/58/1260295958.db2.gz UEYKBDIPJRXGIT-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2CC1 ZINC000946518415 1260295960 /nfs/dbraw/zinc/29/59/60/1260295960.db2.gz UEYKBDIPJRXGIT-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]2CC1 ZINC000946518560 1260297588 /nfs/dbraw/zinc/29/75/88/1260297588.db2.gz WXWDLROFECNQHJ-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]2CC1 ZINC000946518560 1260297593 /nfs/dbraw/zinc/29/75/93/1260297593.db2.gz WXWDLROFECNQHJ-ZCNNSNEGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001032664714 1260359251 /nfs/dbraw/zinc/35/92/51/1260359251.db2.gz OHQWFJJEJDBBRS-WDSOQIARSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC000999210746 1260364800 /nfs/dbraw/zinc/36/48/00/1260364800.db2.gz VDSSZIFJZIGCEK-JENIJYKNSA-N 1 3 347.478 2.637 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC000999210746 1260364804 /nfs/dbraw/zinc/36/48/04/1260364804.db2.gz VDSSZIFJZIGCEK-JENIJYKNSA-N 1 3 347.478 2.637 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001112540103 1260405570 /nfs/dbraw/zinc/40/55/70/1260405570.db2.gz FQPJUKVWUGCHSJ-HBFSDRIKSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCC2CCCC2)CC1 ZINC001032711319 1260500585 /nfs/dbraw/zinc/50/05/85/1260500585.db2.gz PQUZHMUWEQODRB-PMACEKPBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCC2CCC2)CC1 ZINC001032710996 1260504348 /nfs/dbraw/zinc/50/43/48/1260504348.db2.gz BMSBCSOWHHBZEQ-PMACEKPBSA-N 1 3 347.547 2.972 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000999354195 1260538014 /nfs/dbraw/zinc/53/80/14/1260538014.db2.gz POUNZAYLOAKCGG-IBGZPJMESA-N 1 3 343.515 2.814 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC000999346902 1260550110 /nfs/dbraw/zinc/55/01/10/1260550110.db2.gz HHVMRFJOTOOKDL-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000999347362 1260551118 /nfs/dbraw/zinc/55/11/18/1260551118.db2.gz JWCCMCGFSANWHK-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CC1 ZINC000999372960 1260555705 /nfs/dbraw/zinc/55/57/05/1260555705.db2.gz PTEDFDISAHDTNV-RBUKOAKNSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC000999352563 1260556142 /nfs/dbraw/zinc/55/61/42/1260556142.db2.gz JQQIMHFYEVSYCM-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC000999352559 1260556393 /nfs/dbraw/zinc/55/63/93/1260556393.db2.gz JQQIMHFYEVSYCM-HZPDHXFCSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000999364585 1260566784 /nfs/dbraw/zinc/56/67/84/1260566784.db2.gz NPCGQWBQMNCCPV-LJQANCHMSA-N 1 3 343.515 2.868 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1)C1CCC1 ZINC000999365182 1260568019 /nfs/dbraw/zinc/56/80/19/1260568019.db2.gz PXRPOKXCWAVIFH-FXAWDEMLSA-N 1 3 341.499 2.739 20 0 EFADHO CC1CCC(C[NH2+][C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC000999366083 1260568374 /nfs/dbraw/zinc/56/83/74/1260568374.db2.gz UZHBCPNOROTSAP-ABHNRTSZSA-N 1 3 335.536 2.878 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000999369106 1260569158 /nfs/dbraw/zinc/56/91/58/1260569158.db2.gz IZZQZYFNIXYFEM-PMACEKPBSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1 ZINC000999369109 1260570157 /nfs/dbraw/zinc/57/01/57/1260570157.db2.gz IZZQZYFNIXYFEM-WOJBJXKFSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000999370671 1260571416 /nfs/dbraw/zinc/57/14/16/1260571416.db2.gz LEQVLICQPVUOOO-AZUAARDMSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCCCC2)C1)C1CC1 ZINC000999369618 1260571464 /nfs/dbraw/zinc/57/14/64/1260571464.db2.gz JUVCDGIYRPPBCM-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO C[NH+](C)[C@H](C(=O)N1CCC[C@H](NCc2ccccc2Cl)C1)C1CC1 ZINC000999372005 1260572543 /nfs/dbraw/zinc/57/25/43/1260572543.db2.gz NUQAOXYOFGUSPM-WMZOPIPTSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@H]2C)C1 ZINC000999402191 1260594833 /nfs/dbraw/zinc/59/48/33/1260594833.db2.gz FUHSXIKAXASEOW-IPJUCJBFSA-N 1 3 329.488 2.558 20 0 EFADHO CCc1ccccc1C[NH2+]C1CC(N(C)C(=O)CN2CCC[C@@H]2C)C1 ZINC000999405783 1260600231 /nfs/dbraw/zinc/60/02/31/1260600231.db2.gz IIPQFIDJVIRMQC-DZIBYMRMSA-N 1 3 343.515 2.812 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC000999408579 1260602852 /nfs/dbraw/zinc/60/28/52/1260602852.db2.gz LRFHDGSAYCLTPS-IVMQYODDSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC000999410499 1260603558 /nfs/dbraw/zinc/60/35/58/1260603558.db2.gz YCEHQAFSACFVTQ-UHFFFAOYSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC000999423092 1260613151 /nfs/dbraw/zinc/61/31/51/1260613151.db2.gz NIDGACKPGPXFCO-HKUYNNGSSA-N 1 3 349.494 2.801 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000999426970 1260616330 /nfs/dbraw/zinc/61/63/30/1260616330.db2.gz AQXPLQLTIWIXDO-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000999433071 1260621580 /nfs/dbraw/zinc/62/15/80/1260621580.db2.gz JNTKAQZVDAFQCD-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1cc(C)c(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)c(C)c1 ZINC000999469416 1260661623 /nfs/dbraw/zinc/66/16/23/1260661623.db2.gz NKIZAEOUIYBRLG-UHFFFAOYSA-N 1 3 340.471 2.657 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC000999475591 1260668451 /nfs/dbraw/zinc/66/84/51/1260668451.db2.gz ZMHJEGRHSOMLOH-UHFFFAOYSA-N 1 3 332.492 2.892 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC000999489022 1260712372 /nfs/dbraw/zinc/71/23/72/1260712372.db2.gz IGWZFUBFDWCMDL-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC000999490568 1260712719 /nfs/dbraw/zinc/71/27/19/1260712719.db2.gz QUQSNLBPELYKOU-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)s2)C1)N(C)C ZINC000999490567 1260712927 /nfs/dbraw/zinc/71/29/27/1260712927.db2.gz QUQSNLBPELYKOU-GXTWGEPZSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC000999490453 1260713256 /nfs/dbraw/zinc/71/32/56/1260713256.db2.gz PYLUOSRWFUQOHV-QZTJIDSGSA-N 1 3 335.467 2.555 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000999490140 1260713260 /nfs/dbraw/zinc/71/32/60/1260713260.db2.gz PJQWGPOINSXEPF-WOJBJXKFSA-N 1 3 345.531 2.712 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CC3CCCCC3)C2)CC1 ZINC000999600486 1260762749 /nfs/dbraw/zinc/76/27/49/1260762749.db2.gz CGVHQVPUMGLEOF-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CC([NH2+]CCC3CCCC3)C2)CC1 ZINC000999601293 1260763523 /nfs/dbraw/zinc/76/35/23/1260763523.db2.gz JXHBPKHROHUGQA-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033068846 1266359141 /nfs/dbraw/zinc/35/91/41/1266359141.db2.gz FEAIODTWCFSXRK-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033068846 1266359153 /nfs/dbraw/zinc/35/91/53/1266359153.db2.gz FEAIODTWCFSXRK-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033068846 1266359164 /nfs/dbraw/zinc/35/91/64/1266359164.db2.gz FEAIODTWCFSXRK-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C(C)C)C1 ZINC001033068846 1266359174 /nfs/dbraw/zinc/35/91/74/1266359174.db2.gz FEAIODTWCFSXRK-WOJBJXKFSA-N 1 3 343.515 2.901 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2ccccc2Cl)C1 ZINC000999688509 1260835468 /nfs/dbraw/zinc/83/54/68/1260835468.db2.gz NQOFKUAYVBZCGA-ODIFPOPNSA-N 1 3 349.906 2.761 20 0 EFADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC(NCc2ccccc2Cl)C1 ZINC000999688509 1260835479 /nfs/dbraw/zinc/83/54/79/1260835479.db2.gz NQOFKUAYVBZCGA-ODIFPOPNSA-N 1 3 349.906 2.761 20 0 EFADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC000999832146 1260944320 /nfs/dbraw/zinc/94/43/20/1260944320.db2.gz OSRGFMHLUBNWOS-KLAILNCOSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccc(CNC2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC000999832146 1260944325 /nfs/dbraw/zinc/94/43/25/1260944325.db2.gz OSRGFMHLUBNWOS-KLAILNCOSA-N 1 3 349.906 2.679 20 0 EFADHO CC(C)c1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cc1 ZINC000999833041 1260945929 /nfs/dbraw/zinc/94/59/29/1260945929.db2.gz KVUCTTBJIRNQLS-UHFFFAOYSA-N 1 3 343.515 2.985 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000999869178 1260960807 /nfs/dbraw/zinc/96/08/07/1260960807.db2.gz GIMHFLOKEQYUFX-UHFFFAOYSA-N 1 3 329.488 2.741 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1 ZINC000999876850 1260964503 /nfs/dbraw/zinc/96/45/03/1260964503.db2.gz UOZVDNINADAMMW-TVPLGVNVSA-N 1 3 347.478 2.779 20 0 EFADHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032727170 1261086518 /nfs/dbraw/zinc/08/65/18/1261086518.db2.gz ZURHXZAOLZHIBA-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC1CCC1 ZINC001032727170 1261086523 /nfs/dbraw/zinc/08/65/23/1261086523.db2.gz ZURHXZAOLZHIBA-FHWLQOOXSA-N 1 3 333.520 2.726 20 0 EFADHO CC1=CC[C@H](CC[N@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862179 1261186439 /nfs/dbraw/zinc/18/64/39/1261186439.db2.gz LTDLQGFMXDVAJL-WIYYLYMNSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=CC[C@H](CC[N@@H+]2CCC[C@]23CCN(CCN(C)C)C3=O)C1(C)C ZINC001272862179 1261186443 /nfs/dbraw/zinc/18/64/43/1261186443.db2.gz LTDLQGFMXDVAJL-WIYYLYMNSA-N 1 3 347.547 2.997 20 0 EFADHO CC1=CC[C@@H](CC[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1(C)C ZINC001272862960 1261188089 /nfs/dbraw/zinc/18/80/89/1261188089.db2.gz RTSRZDCZIIFAAU-IPMKNSEASA-N 1 3 347.547 2.996 20 0 EFADHO CC1=CC[C@@H](CC[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)C1(C)C ZINC001272862960 1261188092 /nfs/dbraw/zinc/18/80/92/1261188092.db2.gz RTSRZDCZIIFAAU-IPMKNSEASA-N 1 3 347.547 2.996 20 0 EFADHO CC1=CC[C@H](CC[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863335 1261190130 /nfs/dbraw/zinc/19/01/30/1261190130.db2.gz XLZXXPVZSRNVPY-NQIIRXRSSA-N 1 3 347.547 2.855 20 0 EFADHO CC1=CC[C@H](CC[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)C1(C)C ZINC001272863335 1261190135 /nfs/dbraw/zinc/19/01/35/1261190135.db2.gz XLZXXPVZSRNVPY-NQIIRXRSSA-N 1 3 347.547 2.855 20 0 EFADHO [NH3+]CCCOC1CCN(CCOc2ccc(F)c(Cl)c2)CC1 ZINC000903718089 1261203737 /nfs/dbraw/zinc/20/37/37/1261203737.db2.gz ZKUHNXONJYBMTP-UHFFFAOYSA-N 1 3 330.831 2.688 20 0 EFADHO Cc1cccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272907435 1261303338 /nfs/dbraw/zinc/30/33/38/1261303338.db2.gz QBAIWJVIQMEIGO-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)c1 ZINC001272907435 1261303344 /nfs/dbraw/zinc/30/33/44/1261303344.db2.gz QBAIWJVIQMEIGO-FQEVSTJZSA-N 1 3 329.488 2.514 20 0 EFADHO C[NH+](C)CCN1CC2(CCC1=O)CCN(Cc1ccc(F)cc1)CC2 ZINC001272915714 1261325859 /nfs/dbraw/zinc/32/58/59/1261325859.db2.gz SJYYILDIPPNIPT-UHFFFAOYSA-N 1 3 347.478 2.592 20 0 EFADHO C[C@H]1Cc2cc(C[NH2+]C3CCN(C[C@@H]4CCOC4)CC3)ccc2O1 ZINC000921753731 1261365025 /nfs/dbraw/zinc/36/50/25/1261365025.db2.gz FHARGAGZVZNIBS-RDJZCZTQSA-N 1 3 330.472 2.601 20 0 EFADHO O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923303187 1261436252 /nfs/dbraw/zinc/43/62/52/1261436252.db2.gz ITRIETGXEWAHGQ-KRWDZBQOSA-N 1 3 348.874 2.613 20 0 EFADHO Cc1csc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C)n1 ZINC000923322742 1261475137 /nfs/dbraw/zinc/47/51/37/1261475137.db2.gz NHZKNDYQBJJYKC-MGNMYUMUSA-N 1 3 334.533 2.883 20 0 EFADHO CCCN(C[C@@H](O)COc1ccccc1Cl)C1CC[NH2+]CC1 ZINC000923326100 1261480144 /nfs/dbraw/zinc/48/01/44/1261480144.db2.gz FKQOFVQCXZKHHX-OAHLLOKOSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CCNCC1 ZINC000923326100 1261480146 /nfs/dbraw/zinc/48/01/46/1261480146.db2.gz FKQOFVQCXZKHHX-OAHLLOKOSA-N 1 3 326.868 2.544 20 0 EFADHO CCC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C1CCNCC1 ZINC000923326100 1261480149 /nfs/dbraw/zinc/48/01/49/1261480149.db2.gz FKQOFVQCXZKHHX-OAHLLOKOSA-N 1 3 326.868 2.544 20 0 EFADHO O[C@@H](CN1CC[C@@]2(CC[NH2+]C2)C1)Cn1c2ccccc2c2ccccc21 ZINC000923331695 1261507724 /nfs/dbraw/zinc/50/77/24/1261507724.db2.gz HVABUAFMTJQAQF-HTAPYJJXSA-N 1 3 349.478 2.841 20 0 EFADHO [NH3+]CC[C@@H]1CCCN(C[C@H](O)c2cccc(Br)c2)C1 ZINC000923348382 1261514536 /nfs/dbraw/zinc/51/45/36/1261514536.db2.gz FJKKPIGEINEKCE-WFASDCNBSA-N 1 3 327.266 2.543 20 0 EFADHO CC1([NH3+])CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000923345070 1261529579 /nfs/dbraw/zinc/52/95/79/1261529579.db2.gz HXKGBZFSALJKFK-INIZCTEOSA-N 1 3 337.467 2.969 20 0 EFADHO [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C[C@@H](O)CC(F)(F)F ZINC000923345533 1261532129 /nfs/dbraw/zinc/53/21/29/1261532129.db2.gz NLRCXNATMNHFNG-YESZJQIVSA-N 1 3 344.421 2.972 20 0 EFADHO Clc1ccccc1OC1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369425 1261563782 /nfs/dbraw/zinc/56/37/82/1261563782.db2.gz KDRQHMFYXHFLPB-OAHLLOKOSA-N 1 3 336.863 2.562 20 0 EFADHO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCC(Sc3ccc(Cl)cc3)CC2)C1 ZINC000923371842 1261566547 /nfs/dbraw/zinc/56/65/47/1261566547.db2.gz VCUHSLLHUPGRAV-RCBQFDQVSA-N 1 3 326.893 2.747 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001006065181 1261571994 /nfs/dbraw/zinc/57/19/94/1261571994.db2.gz NZLNPJOJYZTWTO-UHFFFAOYSA-N 1 3 340.471 2.508 20 0 EFADHO [NH3+]C[C@@H](NC[C@H](O)COc1ccccc1Cl)C1CCCCC1 ZINC000923372958 1261574326 /nfs/dbraw/zinc/57/43/26/1261574326.db2.gz KNTPJHVEKADQAE-GOEBONIOSA-N 1 3 326.868 2.577 20 0 EFADHO N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000923381461 1261580349 /nfs/dbraw/zinc/58/03/49/1261580349.db2.gz IUGOYSSYAUSGLF-IACUBPJLSA-N 1 3 333.259 2.593 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(N(C)C(=O)Cc2c[nH]cn2)CC1 ZINC001006066370 1261584221 /nfs/dbraw/zinc/58/42/21/1261584221.db2.gz SOZOGMDHGQRSKG-UHFFFAOYSA-N 1 3 340.471 2.692 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001006084069 1261663859 /nfs/dbraw/zinc/66/38/59/1261663859.db2.gz LRVVLINCGPPSSK-KRWDZBQOSA-N 1 3 327.488 2.532 20 0 EFADHO CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904372 1261724429 /nfs/dbraw/zinc/72/44/29/1261724429.db2.gz DWEUBVHILNXGHO-OTWHNJEPSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCCN3CC)CC[C@@H]2C1 ZINC000946904372 1261724438 /nfs/dbraw/zinc/72/44/38/1261724438.db2.gz DWEUBVHILNXGHO-OTWHNJEPSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N1CC[C@@H](CC[NH3+])C1 ZINC000923486673 1261742644 /nfs/dbraw/zinc/74/26/44/1261742644.db2.gz SLFKLBOLFWPVOU-RRFJBIMHSA-N 1 3 329.444 2.669 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000923487787 1261746124 /nfs/dbraw/zinc/74/61/24/1261746124.db2.gz HLQMNBOPWGDJQD-HZPDHXFCSA-N 1 3 325.456 2.688 20 0 EFADHO [NH3+]CC[C@H]1CCN([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000923481637 1261751627 /nfs/dbraw/zinc/75/16/27/1261751627.db2.gz SYTPQMSTPLFUBF-NHYWBVRUSA-N 1 3 342.270 2.769 20 0 EFADHO C[C@@H](NC(=O)CN1CC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000923490067 1261770446 /nfs/dbraw/zinc/77/04/46/1261770446.db2.gz RFFPYSGZZKWAEY-NEPJUHHUSA-N 1 3 344.286 2.841 20 0 EFADHO [NH3+]CC[C@H]1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000923493180 1261777147 /nfs/dbraw/zinc/77/71/47/1261777147.db2.gz RTIBDWGSLBDRFL-SFHVURJKSA-N 1 3 343.515 2.675 20 0 EFADHO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@H](CC[NH3+])C1 ZINC000923493074 1261777833 /nfs/dbraw/zinc/77/78/33/1261777833.db2.gz SGXFYPTTWCQTAQ-RYUDHWBXSA-N 1 3 329.366 2.703 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC000947980433 1261886049 /nfs/dbraw/zinc/88/60/49/1261886049.db2.gz QGBDRLKPYRSYEB-CZUORRHYSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC000947980433 1261886055 /nfs/dbraw/zinc/88/60/55/1261886055.db2.gz QGBDRLKPYRSYEB-CZUORRHYSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000947980622 1261908840 /nfs/dbraw/zinc/90/88/40/1261908840.db2.gz QJRJDIYSYHRHND-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H](C)C1 ZINC000947980622 1261908846 /nfs/dbraw/zinc/90/88/46/1261908846.db2.gz QJRJDIYSYHRHND-YOEHRIQHSA-N 1 3 332.492 2.810 20 0 EFADHO CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C12CCC2 ZINC001078819227 1262362310 /nfs/dbraw/zinc/36/23/10/1262362310.db2.gz KGMIILSXUNLVQV-ROUUACIJSA-N 1 3 329.488 2.789 20 0 EFADHO CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2CN(C)C)C12CCC2 ZINC001078818904 1262362841 /nfs/dbraw/zinc/36/28/41/1262362841.db2.gz FGKMDNKFUBAJQJ-ZWKOTPCHSA-N 1 3 329.488 2.789 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1C[C@H]([NH2+]CC2CC2)C12CCC2 ZINC001078819479 1262363503 /nfs/dbraw/zinc/36/35/03/1262363503.db2.gz OEMSEEQQHQEDSU-RBUKOAKNSA-N 1 3 341.499 2.789 20 0 EFADHO Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)s1 ZINC001272934426 1262376605 /nfs/dbraw/zinc/37/66/05/1262376605.db2.gz PWGNAWFBHXJUSH-SFHVURJKSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CCN(C)C)C3)s1 ZINC001272934426 1262376610 /nfs/dbraw/zinc/37/66/10/1262376610.db2.gz PWGNAWFBHXJUSH-SFHVURJKSA-N 1 3 335.517 2.575 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C2CCC2)cc1F ZINC001485882963 1262465641 /nfs/dbraw/zinc/46/56/41/1262465641.db2.gz YGAXXEVONBSNLA-HNNXBMFYSA-N 1 3 335.467 2.555 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1)N(C)C ZINC001485919841 1262499741 /nfs/dbraw/zinc/49/97/41/1262499741.db2.gz NAKNYCBWGVYHDG-FHMCCYLLSA-N 1 3 331.504 2.723 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001486081520 1262602945 /nfs/dbraw/zinc/60/29/45/1262602945.db2.gz NKPOMFQEGBJSCN-FIOCOWKDSA-N 1 3 341.499 2.763 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001486089723 1262611884 /nfs/dbraw/zinc/61/18/84/1262611884.db2.gz WOOWRQWRGPEOCS-SJLPKXTDSA-N 1 3 331.504 2.744 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C2CC2)C[C@H]1C ZINC001486128259 1262705439 /nfs/dbraw/zinc/70/54/39/1262705439.db2.gz JEBXSADUBUHGNK-APWZRJJASA-N 1 3 343.515 2.985 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C[NH2+]Cc1ccccc1C)C(C)(C)C ZINC001486420175 1263065553 /nfs/dbraw/zinc/06/55/53/1263065553.db2.gz RIFLJLKLLLQTPB-GOSISDBHSA-N 1 3 333.520 2.957 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C)c(Cl)c1 ZINC001082449748 1263171796 /nfs/dbraw/zinc/17/17/96/1263171796.db2.gz HPSLBFIUDRAVIA-OLMNPRSZSA-N 1 3 349.906 2.679 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001082507610 1263202149 /nfs/dbraw/zinc/20/21/49/1263202149.db2.gz XWSAWQYBCNDABK-BHIYHBOVSA-N 1 3 347.547 2.876 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082544957 1263215782 /nfs/dbraw/zinc/21/57/82/1263215782.db2.gz ZAOPWGPRMHDHEX-LZQZEXGQSA-N 1 3 347.478 2.637 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2F)C1 ZINC001082544957 1263215789 /nfs/dbraw/zinc/21/57/89/1263215789.db2.gz ZAOPWGPRMHDHEX-LZQZEXGQSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C)c1 ZINC001082559198 1263221235 /nfs/dbraw/zinc/22/12/35/1263221235.db2.gz XHFDFDPUYJBCIT-AHRSYUTCSA-N 1 3 343.515 2.580 20 0 EFADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001082559721 1263222398 /nfs/dbraw/zinc/22/23/98/1263222398.db2.gz NMLSECYFZUZASC-LZQZEXGQSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)c1 ZINC001082575264 1263228212 /nfs/dbraw/zinc/22/82/12/1263228212.db2.gz UVPPHWUUVPEXIE-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]2C)cc1C ZINC001082575324 1263228357 /nfs/dbraw/zinc/22/83/57/1263228357.db2.gz YJCBHYIEEQXSPU-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)c1 ZINC001082747444 1263292145 /nfs/dbraw/zinc/29/21/45/1263292145.db2.gz TTXDJILYHRHMBQ-LZQZEXGQSA-N 1 3 331.504 2.526 20 0 EFADHO CCc1ccccc1CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001082748471 1263294885 /nfs/dbraw/zinc/29/48/85/1263294885.db2.gz NGXLIAGBMMLZTC-AHRSYUTCSA-N 1 3 345.531 2.568 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]2C)cs1 ZINC001082724684 1263302984 /nfs/dbraw/zinc/30/29/84/1263302984.db2.gz AVLGZJIUCYQMKI-KBRIMQKVSA-N 1 3 337.533 2.579 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C)c(C)c1 ZINC001082742644 1263313992 /nfs/dbraw/zinc/31/39/92/1263313992.db2.gz NHDLCHDQXXKVFT-YVWKXTFCSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@H]([NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)c1ccc(F)cc1 ZINC001082766857 1263327636 /nfs/dbraw/zinc/32/76/36/1263327636.db2.gz FIOHWJNYPALTJM-JEBQAFNWSA-N 1 3 344.434 2.679 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)c1 ZINC001082766851 1263328034 /nfs/dbraw/zinc/32/80/34/1263328034.db2.gz DSNVJQJEGORJJV-JTDSTZFVSA-N 1 3 340.471 2.767 20 0 EFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082920965 1263412031 /nfs/dbraw/zinc/41/20/31/1263412031.db2.gz NVHYYXBAZWCJRL-QGPMSJSTSA-N 1 3 349.906 2.537 20 0 EFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082920965 1263412037 /nfs/dbraw/zinc/41/20/37/1263412037.db2.gz NVHYYXBAZWCJRL-QGPMSJSTSA-N 1 3 349.906 2.537 20 0 EFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082920966 1263412927 /nfs/dbraw/zinc/41/29/27/1263412927.db2.gz NVHYYXBAZWCJRL-UWWQBHOKSA-N 1 3 349.906 2.537 20 0 EFADHO Cc1ccc(CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c(Cl)c1 ZINC001082920966 1263412930 /nfs/dbraw/zinc/41/29/30/1263412930.db2.gz NVHYYXBAZWCJRL-UWWQBHOKSA-N 1 3 349.906 2.537 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084339930 1263833766 /nfs/dbraw/zinc/83/37/66/1263833766.db2.gz NJLIUJHUCYGGMQ-FGTMMUONSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001084339930 1263833782 /nfs/dbraw/zinc/83/37/82/1263833782.db2.gz NJLIUJHUCYGGMQ-FGTMMUONSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@H+](CC3CCCC3)C[C@H]21)N1CCCCC1 ZINC001084345179 1263840325 /nfs/dbraw/zinc/84/03/25/1263840325.db2.gz YQACTNYBWOGMSO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21)N1CCCCC1 ZINC001084345179 1263840330 /nfs/dbraw/zinc/84/03/30/1263840330.db2.gz YQACTNYBWOGMSO-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084388688 1263903726 /nfs/dbraw/zinc/90/37/26/1263903726.db2.gz ASPFHZNRMBNSNB-GUDVDZBRSA-N 1 3 347.547 2.830 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001084388688 1263903730 /nfs/dbraw/zinc/90/37/30/1263903730.db2.gz ASPFHZNRMBNSNB-GUDVDZBRSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572093 1264033390 /nfs/dbraw/zinc/03/33/90/1264033390.db2.gz UKRBKSCKNMPHPD-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCC3)[C@@H]2C1 ZINC001084572093 1264033398 /nfs/dbraw/zinc/03/33/98/1264033398.db2.gz UKRBKSCKNMPHPD-IAGOWNOFSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603805 1264067416 /nfs/dbraw/zinc/06/74/16/1264067416.db2.gz MBBLWEQJKCPGET-NZSAHSFTSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084603805 1264067426 /nfs/dbraw/zinc/06/74/26/1264067426.db2.gz MBBLWEQJKCPGET-NZSAHSFTSA-N 1 3 333.520 2.725 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCCN3C(C)C)CC2)cc1 ZINC001002791327 1264077853 /nfs/dbraw/zinc/07/78/53/1264077853.db2.gz GYJNHSOZOPMBRQ-HXUWFJFHSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002850819 1264174923 /nfs/dbraw/zinc/17/49/23/1264174923.db2.gz AUYDUHVENQFIDT-DNVCBOLYSA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002850819 1264174930 /nfs/dbraw/zinc/17/49/30/1264174930.db2.gz AUYDUHVENQFIDT-DNVCBOLYSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084701642 1264245946 /nfs/dbraw/zinc/24/59/46/1264245946.db2.gz MGTAPNGICFYWQS-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084701642 1264245952 /nfs/dbraw/zinc/24/59/52/1264245952.db2.gz MGTAPNGICFYWQS-GUDVDZBRSA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084701705 1264246052 /nfs/dbraw/zinc/24/60/52/1264246052.db2.gz OFPIMFSFAJUJKR-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084701705 1264246060 /nfs/dbraw/zinc/24/60/60/1264246060.db2.gz OFPIMFSFAJUJKR-CEXWTWQISA-N 1 3 333.520 2.582 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723405 1264267563 /nfs/dbraw/zinc/26/75/63/1264267563.db2.gz GNSQYEVTIRRPTJ-WOJBJXKFSA-N 1 3 341.499 2.861 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084768118 1264346257 /nfs/dbraw/zinc/34/62/57/1264346257.db2.gz WDZWEUKBJGIHOY-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084768118 1264346267 /nfs/dbraw/zinc/34/62/67/1264346267.db2.gz WDZWEUKBJGIHOY-HSALFYBXSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](CC2=CCCCC2)CC1 ZINC001002955342 1264354652 /nfs/dbraw/zinc/35/46/52/1264354652.db2.gz KWEXFJJQQVWAQN-LJQANCHMSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001002956133 1264355553 /nfs/dbraw/zinc/35/55/53/1264355553.db2.gz SGMYSDUGNHBPDB-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(CN2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1F ZINC001273237734 1264567059 /nfs/dbraw/zinc/56/70/59/1264567059.db2.gz WHQKUOTYLNHTSQ-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001273239561 1264598838 /nfs/dbraw/zinc/59/88/38/1264598838.db2.gz QOGNOXQFLNBLBD-OAQYLSRUSA-N 1 3 341.499 2.550 20 0 EFADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001273239561 1264598846 /nfs/dbraw/zinc/59/88/46/1264598846.db2.gz QOGNOXQFLNBLBD-OAQYLSRUSA-N 1 3 341.499 2.550 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCCC3)[C@H]2C1 ZINC001084939036 1264713192 /nfs/dbraw/zinc/71/31/92/1264713192.db2.gz PMWIMKJFSSKCSM-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001084939036 1264713198 /nfs/dbraw/zinc/71/31/98/1264713198.db2.gz PMWIMKJFSSKCSM-AABGKKOBSA-N 1 3 347.547 2.972 20 0 EFADHO CN(CC(=O)N(C)[C@H](C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001410311008 1264726453 /nfs/dbraw/zinc/72/64/53/1264726453.db2.gz MLXOZWBNONTNGY-LJQANCHMSA-N 1 3 345.531 2.991 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH]cn1)c1ccccc1 ZINC001410317625 1264772801 /nfs/dbraw/zinc/77/28/01/1264772801.db2.gz YLKHTPSMIXMOKG-KDOFPFPSSA-N 1 3 326.444 2.540 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1)N(C)C ZINC001084964698 1264777615 /nfs/dbraw/zinc/77/76/15/1264777615.db2.gz LVKDIRCNJULRAF-SQNIBIBYSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CCC(C)(C)C)[C@H]2C1)N(C)C ZINC001084964698 1264777619 /nfs/dbraw/zinc/77/76/19/1264777619.db2.gz LVKDIRCNJULRAF-SQNIBIBYSA-N 1 3 337.552 2.932 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997931 1264876397 /nfs/dbraw/zinc/87/63/97/1264876397.db2.gz HUHRQXGJNDNGCA-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)N3CCCC3)C[C@@H]21 ZINC001084997931 1264876411 /nfs/dbraw/zinc/87/64/11/1264876411.db2.gz HUHRQXGJNDNGCA-NEWSRXKRSA-N 1 3 333.520 2.584 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004936 1264886765 /nfs/dbraw/zinc/88/67/65/1264886765.db2.gz XEFUHJHUPLUASC-KURKYZTESA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)N3CCCC3)C[C@@H]21 ZINC001085004936 1264886774 /nfs/dbraw/zinc/88/67/74/1264886774.db2.gz XEFUHJHUPLUASC-KURKYZTESA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001410372191 1264935369 /nfs/dbraw/zinc/93/53/69/1264935369.db2.gz CCZSICBNCIMLGN-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C)CC1 ZINC001003623647 1264983020 /nfs/dbraw/zinc/98/30/20/1264983020.db2.gz IJVRADOFINHMIE-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C)cc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001003624132 1264983053 /nfs/dbraw/zinc/98/30/53/1264983053.db2.gz MBYKRYMZWDMTPS-SFHVURJKSA-N 1 3 343.515 2.868 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001003623455 1264983089 /nfs/dbraw/zinc/98/30/89/1264983089.db2.gz FZDPUAHRIIOYAT-MRXNPFEDSA-N 1 3 347.478 2.721 20 0 EFADHO CCc1cccc(C[NH+]2CCC(NC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001003626953 1264994022 /nfs/dbraw/zinc/99/40/22/1264994022.db2.gz YGNHXZDJCDBWMA-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)CN3CCC[C@@H]3C)CC2)cc1 ZINC001003627572 1264995496 /nfs/dbraw/zinc/99/54/96/1264995496.db2.gz GQGYHYIUUCJSMK-KRWDZBQOSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC3CC3)[C@H]2C1 ZINC001085049576 1265026801 /nfs/dbraw/zinc/02/68/01/1265026801.db2.gz LPNYXLLUGSYWAE-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001085049576 1265026805 /nfs/dbraw/zinc/02/68/05/1265026805.db2.gz LPNYXLLUGSYWAE-AQNXPRMDSA-N 1 3 347.547 2.972 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001033076773 1266431908 /nfs/dbraw/zinc/43/19/08/1266431908.db2.gz OUIFIPWOWBBPTQ-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](N(C)C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001033076773 1266431913 /nfs/dbraw/zinc/43/19/13/1266431913.db2.gz OUIFIPWOWBBPTQ-DAWZGUTISA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001033092043 1266495204 /nfs/dbraw/zinc/49/52/04/1266495204.db2.gz QDMIZAZBBJGZTD-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001033092043 1266495207 /nfs/dbraw/zinc/49/52/07/1266495207.db2.gz QDMIZAZBBJGZTD-MISYRCLQSA-N 1 3 343.515 2.676 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC001033095075 1266506669 /nfs/dbraw/zinc/50/66/69/1266506669.db2.gz PQFDZJQKDXHAKE-ATZDWAIDSA-N 1 3 347.478 2.529 20 0 EFADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC001033095075 1266506679 /nfs/dbraw/zinc/50/66/79/1266506679.db2.gz PQFDZJQKDXHAKE-ATZDWAIDSA-N 1 3 347.478 2.529 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001004375170 1266816940 /nfs/dbraw/zinc/81/69/40/1266816940.db2.gz OURXENVMCHDUOJ-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001004375170 1266816952 /nfs/dbraw/zinc/81/69/52/1266816952.db2.gz OURXENVMCHDUOJ-MOPGFXCFSA-N 1 3 333.520 2.584 20 0 EFADHO CC1([NH+]2CCC2)CCC(NCc2cnc(C3OCCO3)s2)CC1 ZINC000922844307 1266993534 /nfs/dbraw/zinc/99/35/34/1266993534.db2.gz CCWVRZRNJLCFLX-UHFFFAOYSA-N 1 3 337.489 2.685 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458651 1267092803 /nfs/dbraw/zinc/09/28/03/1267092803.db2.gz PYBJESFJWVIZQD-PMACEKPBSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CCC2)CC1)C1CC1 ZINC001004458651 1267092815 /nfs/dbraw/zinc/09/28/15/1267092815.db2.gz PYBJESFJWVIZQD-PMACEKPBSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460746 1267102391 /nfs/dbraw/zinc/10/23/91/1267102391.db2.gz WLWKCEAAPYOLQI-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001004460746 1267102395 /nfs/dbraw/zinc/10/23/95/1267102395.db2.gz WLWKCEAAPYOLQI-IBGZPJMESA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1)N(C)C ZINC001004466833 1267108216 /nfs/dbraw/zinc/10/82/16/1267108216.db2.gz WEEPQDHCLKQYCB-MSOLQXFVSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+]2CCCF)CC1)N(C)C ZINC001004466833 1267108220 /nfs/dbraw/zinc/10/82/20/1267108220.db2.gz WEEPQDHCLKQYCB-MSOLQXFVSA-N 1 3 341.515 2.635 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033125397 1267150854 /nfs/dbraw/zinc/15/08/54/1267150854.db2.gz CRZDTAHNYKFNFR-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033125397 1267150858 /nfs/dbraw/zinc/15/08/58/1267150858.db2.gz CRZDTAHNYKFNFR-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033125397 1267150864 /nfs/dbraw/zinc/15/08/64/1267150864.db2.gz CRZDTAHNYKFNFR-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033125397 1267150869 /nfs/dbraw/zinc/15/08/69/1267150869.db2.gz CRZDTAHNYKFNFR-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033125394 1267151598 /nfs/dbraw/zinc/15/15/98/1267151598.db2.gz CRZDTAHNYKFNFR-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033125394 1267151599 /nfs/dbraw/zinc/15/15/99/1267151599.db2.gz CRZDTAHNYKFNFR-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033125394 1267151602 /nfs/dbraw/zinc/15/16/02/1267151602.db2.gz CRZDTAHNYKFNFR-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC2=CCCCC2)C1 ZINC001033125394 1267151603 /nfs/dbraw/zinc/15/16/03/1267151603.db2.gz CRZDTAHNYKFNFR-MOPGFXCFSA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001033125395 1267151739 /nfs/dbraw/zinc/15/17/39/1267151739.db2.gz CRZDTAHNYKFNFR-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001033125395 1267151744 /nfs/dbraw/zinc/15/17/44/1267151744.db2.gz CRZDTAHNYKFNFR-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033125395 1267151746 /nfs/dbraw/zinc/15/17/46/1267151746.db2.gz CRZDTAHNYKFNFR-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC2=CCCCC2)C1 ZINC001033125395 1267151748 /nfs/dbraw/zinc/15/17/48/1267151748.db2.gz CRZDTAHNYKFNFR-OALUTQOASA-N 1 3 333.520 2.894 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033127845 1267154649 /nfs/dbraw/zinc/15/46/49/1267154649.db2.gz XKATXEQYPLEZAF-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033127845 1267154654 /nfs/dbraw/zinc/15/46/54/1267154654.db2.gz XKATXEQYPLEZAF-WOJBJXKFSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033127842 1267155091 /nfs/dbraw/zinc/15/50/91/1267155091.db2.gz XKATXEQYPLEZAF-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001033127842 1267155095 /nfs/dbraw/zinc/15/50/95/1267155095.db2.gz XKATXEQYPLEZAF-UXHICEINSA-N 1 3 343.515 2.636 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033126407 1267170589 /nfs/dbraw/zinc/17/05/89/1267170589.db2.gz MRXMFWQBYSWMGC-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033126407 1267170590 /nfs/dbraw/zinc/17/05/90/1267170590.db2.gz MRXMFWQBYSWMGC-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]2CC1)C1CC1 ZINC000946623567 1267216328 /nfs/dbraw/zinc/21/63/28/1267216328.db2.gz MLICNQKPLQXKLR-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2CC1)C1CC1 ZINC000946623567 1267216336 /nfs/dbraw/zinc/21/63/36/1267216336.db2.gz MLICNQKPLQXKLR-HSALFYBXSA-N 1 3 347.547 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001004545507 1267266709 /nfs/dbraw/zinc/26/67/09/1267266709.db2.gz CUVPRPOCRMFJCT-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001004545507 1267266718 /nfs/dbraw/zinc/26/67/18/1267266718.db2.gz CUVPRPOCRMFJCT-YLJYHZDGSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC2CC2)CC1)N(C)C ZINC001004549396 1267275602 /nfs/dbraw/zinc/27/56/02/1267275602.db2.gz YYOUYOQHRCDBFK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+]2CCC2CC2)CC1)N(C)C ZINC001004549396 1267275606 /nfs/dbraw/zinc/27/56/06/1267275606.db2.gz YYOUYOQHRCDBFK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549235 1267275648 /nfs/dbraw/zinc/27/56/48/1267275648.db2.gz VSHODIDCYSQKPK-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001004549235 1267275658 /nfs/dbraw/zinc/27/56/58/1267275658.db2.gz VSHODIDCYSQKPK-QUCCMNQESA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549234 1267276029 /nfs/dbraw/zinc/27/60/29/1267276029.db2.gz VSHODIDCYSQKPK-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001004549234 1267276039 /nfs/dbraw/zinc/27/60/39/1267276039.db2.gz VSHODIDCYSQKPK-ICSRJNTNSA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539240 1267279125 /nfs/dbraw/zinc/27/91/25/1267279125.db2.gz INOPUYTXSFAOLD-RTBURBONSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001004539240 1267279131 /nfs/dbraw/zinc/27/91/31/1267279131.db2.gz INOPUYTXSFAOLD-RTBURBONSA-N 1 3 337.552 2.932 20 0 EFADHO CC[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614494 1267382161 /nfs/dbraw/zinc/38/21/61/1267382161.db2.gz BXTGRFBTALRNJC-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004614494 1267382169 /nfs/dbraw/zinc/38/21/69/1267382169.db2.gz BXTGRFBTALRNJC-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946633374 1267389459 /nfs/dbraw/zinc/38/94/59/1267389459.db2.gz URRKFXDOHJPBGD-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2CC1)N(C)C ZINC000946633374 1267389472 /nfs/dbraw/zinc/38/94/72/1267389472.db2.gz URRKFXDOHJPBGD-OTWHNJEPSA-N 1 3 335.536 2.543 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004622055 1267402199 /nfs/dbraw/zinc/40/21/99/1267402199.db2.gz VUSXLRIWPSYAIB-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001004622055 1267402203 /nfs/dbraw/zinc/40/22/03/1267402203.db2.gz VUSXLRIWPSYAIB-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618452 1267411873 /nfs/dbraw/zinc/41/18/73/1267411873.db2.gz WWCPHFBATPNPAQ-MSOLQXFVSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001004618452 1267411880 /nfs/dbraw/zinc/41/18/80/1267411880.db2.gz WWCPHFBATPNPAQ-MSOLQXFVSA-N 1 3 339.499 2.533 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085432362 1267457863 /nfs/dbraw/zinc/45/78/63/1267457863.db2.gz VCGPIACOKGLULN-RTBURBONSA-N 1 3 329.488 2.789 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCC1CCCC1 ZINC001273101007 1267668260 /nfs/dbraw/zinc/66/82/60/1267668260.db2.gz LECPIYQGVJYATB-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CN(C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001273101007 1267668266 /nfs/dbraw/zinc/66/82/66/1267668266.db2.gz LECPIYQGVJYATB-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO CCCN(C(=O)[C@H]1CC[NH2+][C@H]1C)C1CCN(Cc2ccccc2)CC1 ZINC001649120143 1267671136 /nfs/dbraw/zinc/67/11/36/1267671136.db2.gz ZQDXDOSPJCVCFT-PXNSSMCTSA-N 1 3 343.515 2.888 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001128534479 1267710273 /nfs/dbraw/zinc/71/02/73/1267710273.db2.gz YISJEKQYZHJVCH-CZUORRHYSA-N 1 3 343.874 2.787 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598502 1267961295 /nfs/dbraw/zinc/96/12/95/1267961295.db2.gz VCNYEJHPUCRNFK-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598502 1267961303 /nfs/dbraw/zinc/96/13/03/1267961303.db2.gz VCNYEJHPUCRNFK-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085604217 1267981539 /nfs/dbraw/zinc/98/15/39/1267981539.db2.gz ABLRHFNJWYENFA-GUDVDZBRSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001085604217 1267981547 /nfs/dbraw/zinc/98/15/47/1267981547.db2.gz ABLRHFNJWYENFA-GUDVDZBRSA-N 1 3 343.515 2.676 20 0 EFADHO C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004947324 1268200501 /nfs/dbraw/zinc/20/05/01/1268200501.db2.gz AFIMEHDGDXLLBK-RHSMWYFYSA-N 1 3 332.492 2.748 20 0 EFADHO CN(C[C@H]1CCN1CC1CC(C)(C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001085695818 1268211430 /nfs/dbraw/zinc/21/14/30/1268211430.db2.gz SCXGVSLBZFETDI-QGZVFWFLSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CN1CCC(C)(C)C1 ZINC001004946823 1268232342 /nfs/dbraw/zinc/23/23/42/1268232342.db2.gz YUUMWOSTUJWPSR-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(CN2CC[C@H]2CN(C)C(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC001085700861 1268234064 /nfs/dbraw/zinc/23/40/64/1268234064.db2.gz ZNSWOCPKOBYJRC-IBGZPJMESA-N 1 3 348.450 2.989 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004953715 1268243946 /nfs/dbraw/zinc/24/39/46/1268243946.db2.gz KXXQHFFTCYUHPG-MAUKXSAKSA-N 1 3 330.476 2.812 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001004953720 1268244384 /nfs/dbraw/zinc/24/43/84/1268244384.db2.gz KXXQHFFTCYUHPG-YJBOKZPZSA-N 1 3 330.476 2.812 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225062 1268313219 /nfs/dbraw/zinc/31/32/19/1268313219.db2.gz CZCMXLYXWBYZMK-HKUYNNGSSA-N 1 3 341.499 2.909 20 0 EFADHO C[C@@H](F)CCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001085741977 1268392301 /nfs/dbraw/zinc/39/23/01/1268392301.db2.gz FIPKHKVBUPDXEQ-AEFFLSMTSA-N 1 3 349.494 2.685 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779637 1268516062 /nfs/dbraw/zinc/51/60/62/1268516062.db2.gz RSKLZCWFGYHFFG-CADBVGFASA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779637 1268516074 /nfs/dbraw/zinc/51/60/74/1268516074.db2.gz RSKLZCWFGYHFFG-CADBVGFASA-N 1 3 335.536 2.545 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2cccs2)CC[N@@H+]1C ZINC001085783755 1268519325 /nfs/dbraw/zinc/51/93/25/1268519325.db2.gz CZMHZROJMPPCPV-YESZJQIVSA-N 1 3 349.544 2.554 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N(C)C[C@H]2CCN2CCc2cccs2)CC[N@H+]1C ZINC001085783755 1268519330 /nfs/dbraw/zinc/51/93/30/1268519330.db2.gz CZMHZROJMPPCPV-YESZJQIVSA-N 1 3 349.544 2.554 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779915 1268521098 /nfs/dbraw/zinc/52/10/98/1268521098.db2.gz VPTZUMVPANOHEA-CADBVGFASA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779915 1268521102 /nfs/dbraw/zinc/52/11/02/1268521102.db2.gz VPTZUMVPANOHEA-CADBVGFASA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125488 1268614107 /nfs/dbraw/zinc/61/41/07/1268614107.db2.gz QISYMBVPJBXOAF-JXFKEZNVSA-N 1 3 347.503 2.568 20 0 EFADHO Cc1ccc([C@@H](C)CC[N@H+]2CC[C@]3(CCN(CCN(C)C)C3=O)C2)o1 ZINC001273125488 1268614116 /nfs/dbraw/zinc/61/41/16/1268614116.db2.gz QISYMBVPJBXOAF-JXFKEZNVSA-N 1 3 347.503 2.568 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125801 1268641915 /nfs/dbraw/zinc/64/19/15/1268641915.db2.gz RRTZYPFHCKHEQM-WJFTUGDTSA-N 1 3 333.520 2.606 20 0 EFADHO CC1=C[C@H](C)[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)CC1 ZINC001273125801 1268641919 /nfs/dbraw/zinc/64/19/19/1268641919.db2.gz RRTZYPFHCKHEQM-WJFTUGDTSA-N 1 3 333.520 2.606 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001033295941 1268680477 /nfs/dbraw/zinc/68/04/77/1268680477.db2.gz OXBLQIRTICJFBI-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H](C1CC1)N1CCCC1)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001033295941 1268680481 /nfs/dbraw/zinc/68/04/81/1268680481.db2.gz OXBLQIRTICJFBI-PMACEKPBSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2CC1(C[NH+](C)C)CCCC1 ZINC001273127930 1268682921 /nfs/dbraw/zinc/68/29/21/1268682921.db2.gz KUXUPENBACGEKG-KZNAEPCWSA-N 1 3 335.536 2.972 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294987 1268690731 /nfs/dbraw/zinc/69/07/31/1268690731.db2.gz GRCYSSWXSGOZLC-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)N2CCCC2)C1 ZINC001033294987 1268690736 /nfs/dbraw/zinc/69/07/36/1268690736.db2.gz GRCYSSWXSGOZLC-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033318982 1268780520 /nfs/dbraw/zinc/78/05/20/1268780520.db2.gz NHPISVOBRYRABP-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)C(C)(C)N1CCCC1)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033318982 1268780528 /nfs/dbraw/zinc/78/05/28/1268780528.db2.gz NHPISVOBRYRABP-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(CCc2cccs2)C1 ZINC001033318982 1268780535 /nfs/dbraw/zinc/78/05/35/1268780535.db2.gz NHPISVOBRYRABP-INIZCTEOSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1CCN(CCCF)C1 ZINC001033365717 1268948117 /nfs/dbraw/zinc/94/81/17/1268948117.db2.gz QZUAVVODTJMDHC-QZTJIDSGSA-N 1 3 339.499 2.676 20 0 EFADHO CN(C(=O)[C@H]1CCCC[N@H+]1C1CCCC1)[C@@H]1CCN(CCCF)C1 ZINC001033365717 1268948121 /nfs/dbraw/zinc/94/81/21/1268948121.db2.gz QZUAVVODTJMDHC-QZTJIDSGSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415450 1269084070 /nfs/dbraw/zinc/08/40/70/1269084070.db2.gz ISNCUALIELXFPH-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001033415450 1269084073 /nfs/dbraw/zinc/08/40/73/1269084073.db2.gz ISNCUALIELXFPH-APWZRJJASA-N 1 3 341.515 2.778 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@H+](CCCc3ccsc3)C2)C1 ZINC001033418999 1269100026 /nfs/dbraw/zinc/10/00/26/1269100026.db2.gz GDZWYEIYLZMJKY-WMZOPIPTSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccsc3)C2)C1 ZINC001033418999 1269100036 /nfs/dbraw/zinc/10/00/36/1269100036.db2.gz GDZWYEIYLZMJKY-WMZOPIPTSA-N 1 3 349.544 2.555 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033421275 1269124935 /nfs/dbraw/zinc/12/49/35/1269124935.db2.gz WIBLORVQCYKJLX-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001033421275 1269124941 /nfs/dbraw/zinc/12/49/41/1269124941.db2.gz WIBLORVQCYKJLX-PXNSSMCTSA-N 1 3 343.515 2.678 20 0 EFADHO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467730 1269209885 /nfs/dbraw/zinc/20/98/85/1269209885.db2.gz RCLYGNWSLLZONQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467730 1269209890 /nfs/dbraw/zinc/20/98/90/1269209890.db2.gz RCLYGNWSLLZONQ-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467731 1269210252 /nfs/dbraw/zinc/21/02/52/1269210252.db2.gz RCLYGNWSLLZONQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCCCCC1 ZINC001033467731 1269210256 /nfs/dbraw/zinc/21/02/56/1269210256.db2.gz RCLYGNWSLLZONQ-PKOBYXMFSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033471611 1269219224 /nfs/dbraw/zinc/21/92/24/1269219224.db2.gz MCFJWKWBLRDZAD-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033471611 1269219233 /nfs/dbraw/zinc/21/92/33/1269219233.db2.gz MCFJWKWBLRDZAD-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC001005185425 1269329483 /nfs/dbraw/zinc/32/94/83/1269329483.db2.gz RBMKICMESNZEAF-FQEVSTJZSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C(=O)[C@@H]1CCCN1C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001005177081 1269335299 /nfs/dbraw/zinc/33/52/99/1269335299.db2.gz AJRTZSGUWMBLEN-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ccc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC001005182859 1269345199 /nfs/dbraw/zinc/34/51/99/1269345199.db2.gz HKWSCYOFLSSVMZ-HXUWFJFHSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC001005186215 1269356325 /nfs/dbraw/zinc/35/63/25/1269356325.db2.gz ZAAAVBVOGPXRLV-WOJBJXKFSA-N 1 3 341.499 2.691 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972506 1269366045 /nfs/dbraw/zinc/36/60/45/1269366045.db2.gz AZQHMSOOYHRCKD-MOPGFXCFSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085972506 1269366057 /nfs/dbraw/zinc/36/60/57/1269366057.db2.gz AZQHMSOOYHRCKD-MOPGFXCFSA-N 1 3 343.515 2.794 20 0 EFADHO C[C@H](F)CCN1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984728 1269410028 /nfs/dbraw/zinc/41/00/28/1269410028.db2.gz MAKNBVXPUZYWRX-YJBOKZPZSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@@H](F)CCN1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984725 1269410297 /nfs/dbraw/zinc/41/02/97/1269410297.db2.gz MAKNBVXPUZYWRX-CRAIPNDOSA-N 1 3 335.467 2.643 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984839 1269411728 /nfs/dbraw/zinc/41/17/28/1269411728.db2.gz OBGDEOVUKPEZMX-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001085984839 1269411731 /nfs/dbraw/zinc/41/17/31/1269411731.db2.gz OBGDEOVUKPEZMX-APWZRJJASA-N 1 3 331.504 2.941 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001033587489 1269503226 /nfs/dbraw/zinc/50/32/26/1269503226.db2.gz FXYUCEGJVDRMQE-HNNXBMFYSA-N 1 3 332.492 2.656 20 0 EFADHO CN(C(=O)C(C)(C)c1c[nH]cn1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001033587489 1269503224 /nfs/dbraw/zinc/50/32/24/1269503224.db2.gz FXYUCEGJVDRMQE-HNNXBMFYSA-N 1 3 332.492 2.656 20 0 EFADHO CN1CCCC[C@H](C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798691 1269508601 /nfs/dbraw/zinc/50/86/01/1269508601.db2.gz BBHOZLICBVNRAI-MOPGFXCFSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@@H+]1CCCC[C@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798691 1269508603 /nfs/dbraw/zinc/50/86/03/1269508603.db2.gz BBHOZLICBVNRAI-MOPGFXCFSA-N 1 3 345.487 2.719 20 0 EFADHO C[N@H+]1CCCC[C@H](CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000700798691 1269508606 /nfs/dbraw/zinc/50/86/06/1269508606.db2.gz BBHOZLICBVNRAI-MOPGFXCFSA-N 1 3 345.487 2.719 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001033662155 1269760569 /nfs/dbraw/zinc/76/05/69/1269760569.db2.gz OECSTRKWJCRGLF-WOJBJXKFSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)c1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001033662155 1269760572 /nfs/dbraw/zinc/76/05/72/1269760572.db2.gz OECSTRKWJCRGLF-WOJBJXKFSA-N 1 3 343.515 2.794 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682149 1269785290 /nfs/dbraw/zinc/78/52/90/1269785290.db2.gz AIGFIARHOPUCJV-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682149 1269785296 /nfs/dbraw/zinc/78/52/96/1269785296.db2.gz AIGFIARHOPUCJV-LJQANCHMSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681631 1269786573 /nfs/dbraw/zinc/78/65/73/1269786573.db2.gz VQMGSRRTGCIWIA-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CN(C)C)C1 ZINC001033681631 1269786579 /nfs/dbraw/zinc/78/65/79/1269786579.db2.gz VQMGSRRTGCIWIA-GOSISDBHSA-N 1 3 331.504 2.941 20 0 EFADHO C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682932 1269789032 /nfs/dbraw/zinc/78/90/32/1269789032.db2.gz DUFKVDLLLILZJR-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO C[C@H](F)CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 ZINC001033682932 1269789039 /nfs/dbraw/zinc/78/90/39/1269789039.db2.gz DUFKVDLLLILZJR-MAUKXSAKSA-N 1 3 335.467 2.643 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033684741 1269795370 /nfs/dbraw/zinc/79/53/70/1269795370.db2.gz IJPMRVKJLYVWMM-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033684741 1269795376 /nfs/dbraw/zinc/79/53/76/1269795376.db2.gz IJPMRVKJLYVWMM-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001033685450 1269796450 /nfs/dbraw/zinc/79/64/50/1269796450.db2.gz LKSXBTIDISWWFF-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](N(C)C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001033685450 1269796457 /nfs/dbraw/zinc/79/64/57/1269796457.db2.gz LKSXBTIDISWWFF-TVPLGVNVSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001086084671 1269856626 /nfs/dbraw/zinc/85/66/26/1269856626.db2.gz ASPCBDHIJCXLLK-NZSAHSFTSA-N 1 3 347.478 2.683 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001086085131 1269859024 /nfs/dbraw/zinc/85/90/24/1269859024.db2.gz UGOFRVVCMWZQGK-OTWHNJEPSA-N 1 3 333.520 2.844 20 0 EFADHO Cc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001086085003 1269859159 /nfs/dbraw/zinc/85/91/59/1269859159.db2.gz NNSDWATULQYGJW-ZCNNSNEGSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001086085304 1269860650 /nfs/dbraw/zinc/86/06/50/1269860650.db2.gz ZUSVBKMREOWVRJ-OTWHNJEPSA-N 1 3 335.536 2.924 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)CC[N@@H+]1C ZINC001086089675 1269892167 /nfs/dbraw/zinc/89/21/67/1269892167.db2.gz KPWDUWPBUIYVKJ-LKCYJCQHSA-N 1 3 347.478 2.540 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NCc3ccccc3F)C2)CC[N@H+]1C ZINC001086089675 1269892185 /nfs/dbraw/zinc/89/21/85/1269892185.db2.gz KPWDUWPBUIYVKJ-LKCYJCQHSA-N 1 3 347.478 2.540 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@H]1C ZINC001410861363 1269905316 /nfs/dbraw/zinc/90/53/16/1269905316.db2.gz PQAHTQFUEMXAOO-IEBWSBKVSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H]1C ZINC001410863776 1269916520 /nfs/dbraw/zinc/91/65/20/1269916520.db2.gz PQAHTQFUEMXAOO-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)[C@H]1C ZINC001410868677 1269936515 /nfs/dbraw/zinc/93/65/15/1269936515.db2.gz SPLLYBRADCRJBV-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001086101913 1269973405 /nfs/dbraw/zinc/97/34/05/1269973405.db2.gz AHORRUWPRMCFHJ-UHOSZYNNSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001410877547 1270029500 /nfs/dbraw/zinc/02/95/00/1270029500.db2.gz ZBDDLNUCHAQDMF-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](CNC/C(Cl)=C/Cl)C2)CC1 ZINC001410941068 1270305287 /nfs/dbraw/zinc/30/52/87/1270305287.db2.gz JVNYQAQLOQFOIW-WWPXCLHUSA-N 1 3 348.318 2.522 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033827600 1270336275 /nfs/dbraw/zinc/33/62/75/1270336275.db2.gz GRGLNYNEZZANKC-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001033827600 1270336281 /nfs/dbraw/zinc/33/62/81/1270336281.db2.gz GRGLNYNEZZANKC-WOJBJXKFSA-N 1 3 343.515 2.982 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033853480 1270387860 /nfs/dbraw/zinc/38/78/60/1270387860.db2.gz BTXVMNXQHRZIOY-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)[C@H]1CCN(CC=C(C)C)C1 ZINC001033853480 1270387868 /nfs/dbraw/zinc/38/78/68/1270387868.db2.gz BTXVMNXQHRZIOY-MOPGFXCFSA-N 1 3 335.536 2.853 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128773562 1270520050 /nfs/dbraw/zinc/52/00/50/1270520050.db2.gz BILGMPFAAIXCAL-LJQANCHMSA-N 1 3 346.519 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCc1ccc(C(C)C)nc1C ZINC001128773562 1270520060 /nfs/dbraw/zinc/52/00/60/1270520060.db2.gz BILGMPFAAIXCAL-LJQANCHMSA-N 1 3 346.519 2.594 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271504 1270783131 /nfs/dbraw/zinc/78/31/31/1270783131.db2.gz BOEFCYLKFWLHBC-HRCADAONSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271504 1270783136 /nfs/dbraw/zinc/78/31/36/1270783136.db2.gz BOEFCYLKFWLHBC-HRCADAONSA-N 1 3 349.906 2.585 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001006296334 1270951348 /nfs/dbraw/zinc/95/13/48/1270951348.db2.gz YBWDPVGSPVUFDI-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001006296334 1270951357 /nfs/dbraw/zinc/95/13/57/1270951357.db2.gz YBWDPVGSPVUFDI-INIZCTEOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001086364686 1271168870 /nfs/dbraw/zinc/16/88/70/1271168870.db2.gz NEYLWSLLLPZERU-MISYRCLQSA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001086364827 1271168940 /nfs/dbraw/zinc/16/89/40/1271168940.db2.gz SYMBFJPOIGEULC-WDSOQIARSA-N 1 3 347.547 2.924 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001411123471 1271371590 /nfs/dbraw/zinc/37/15/90/1271371590.db2.gz XUDDZHOTYYAHES-LPHOPBHVSA-N 1 3 349.494 2.679 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(CCc2ccccc2F)[C@H]1C ZINC001411123471 1271371596 /nfs/dbraw/zinc/37/15/96/1271371596.db2.gz XUDDZHOTYYAHES-LPHOPBHVSA-N 1 3 349.494 2.679 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cc2)C1 ZINC001034273198 1271521752 /nfs/dbraw/zinc/52/17/52/1271521752.db2.gz ZZMKNMFZWFGNHP-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001034273198 1271521758 /nfs/dbraw/zinc/52/17/58/1271521758.db2.gz ZZMKNMFZWFGNHP-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001034273198 1271521764 /nfs/dbraw/zinc/52/17/64/1271521764.db2.gz ZZMKNMFZWFGNHP-MOPGFXCFSA-N 1 3 347.478 2.781 20 0 EFADHO O=C(N[C@H]1CCCCN(Cc2ccccn2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291583 1271574206 /nfs/dbraw/zinc/57/42/06/1271574206.db2.gz MBTROHDBBMZHRI-SFHVURJKSA-N 1 3 349.438 2.514 20 0 EFADHO O=C(N[C@@H]1CCCCN(Cc2cccnc2)C1)c1ccn2cncc2c1 ZINC001034292935 1271578967 /nfs/dbraw/zinc/57/89/67/1271578967.db2.gz UHYHXWRLPFYHBC-GOSISDBHSA-N 1 3 349.438 2.514 20 0 EFADHO O=C(N[C@@H]1CCCCN(Cc2cccnc2)C1)c1ccn2c[nH+]cc2c1 ZINC001034292935 1271578976 /nfs/dbraw/zinc/57/89/76/1271578976.db2.gz UHYHXWRLPFYHBC-GOSISDBHSA-N 1 3 349.438 2.514 20 0 EFADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478339 1271697315 /nfs/dbraw/zinc/69/73/15/1271697315.db2.gz NSHOPFDJACKMPX-OTRWWLKZSA-N 1 3 349.906 2.522 20 0 EFADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2Cl)C1 ZINC001086478339 1271697324 /nfs/dbraw/zinc/69/73/24/1271697324.db2.gz NSHOPFDJACKMPX-OTRWWLKZSA-N 1 3 349.906 2.522 20 0 EFADHO CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398190 1271891393 /nfs/dbraw/zinc/89/13/93/1271891393.db2.gz NITBJIPJZIAPFH-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001034398190 1271891405 /nfs/dbraw/zinc/89/14/05/1271891405.db2.gz NITBJIPJZIAPFH-VQIMIIECSA-N 1 3 341.515 2.970 20 0 EFADHO Cc1ccncc1C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C(C)(C)C ZINC001411211970 1272005579 /nfs/dbraw/zinc/00/55/79/1272005579.db2.gz AGZNZZDUVASPHW-ZWKOTPCHSA-N 1 3 348.535 2.597 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001438928766 1272047248 /nfs/dbraw/zinc/04/72/48/1272047248.db2.gz QFGQFFFPKYSEGF-UHFFFAOYSA-N 1 3 333.467 2.544 20 0 EFADHO CCCN(C)CC(=O)N(C)CC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001438928766 1272047259 /nfs/dbraw/zinc/04/72/59/1272047259.db2.gz QFGQFFFPKYSEGF-UHFFFAOYSA-N 1 3 333.467 2.544 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)CN(C)C2CCC2)C1 ZINC001411236579 1272099619 /nfs/dbraw/zinc/09/96/19/1272099619.db2.gz LSVXCJSIZHWHSD-UHFFFAOYSA-N 1 3 347.478 2.697 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001168755072 1272125840 /nfs/dbraw/zinc/12/58/40/1272125840.db2.gz HJRGLMNCWRPYDD-UHFFFAOYSA-N 1 3 327.419 2.562 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]CCCc1ccccc1Cl ZINC001168755049 1272141108 /nfs/dbraw/zinc/14/11/08/1272141108.db2.gz GCQGBHVFCIINAK-UHFFFAOYSA-N 1 3 339.911 2.710 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001034533235 1272215606 /nfs/dbraw/zinc/21/56/06/1272215606.db2.gz SVMYRROUCWTZEU-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001034533235 1272215612 /nfs/dbraw/zinc/21/56/12/1272215612.db2.gz SVMYRROUCWTZEU-WMZOPIPTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c(C)s1 ZINC001034533221 1272216173 /nfs/dbraw/zinc/21/61/73/1272216173.db2.gz SVMYRROUCWTZEU-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)c(C)s1 ZINC001034533221 1272216180 /nfs/dbraw/zinc/21/61/80/1272216180.db2.gz SVMYRROUCWTZEU-AEFFLSMTSA-N 1 3 349.544 2.787 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001168755134 1272238795 /nfs/dbraw/zinc/23/87/95/1272238795.db2.gz IVYSJEQCSZYOTP-UHFFFAOYSA-N 1 3 333.520 2.922 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168807550 1272414651 /nfs/dbraw/zinc/41/46/51/1272414651.db2.gz OYQPPSDUVIUWEE-ZBFHGGJFSA-N 1 3 325.497 2.848 20 0 EFADHO CCC[NH+]1CCC(N[C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001168807547 1272415208 /nfs/dbraw/zinc/41/52/08/1272415208.db2.gz OYQPPSDUVIUWEE-GDBMZVCRSA-N 1 3 325.497 2.848 20 0 EFADHO CC[NH+](CC)CCCN[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168883120 1272483470 /nfs/dbraw/zinc/48/34/70/1272483470.db2.gz WRXIROWYYQJKBH-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CCC[NH+]1C[C@@H]2CN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886725 1272484869 /nfs/dbraw/zinc/48/48/69/1272484869.db2.gz ZZRVMLBCEFXSDJ-YLFCFFPRSA-N 1 3 337.508 2.658 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)C[C@H]2C1 ZINC001168886725 1272484873 /nfs/dbraw/zinc/48/48/73/1272484873.db2.gz ZZRVMLBCEFXSDJ-YLFCFFPRSA-N 1 3 337.508 2.658 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097556 1272651519 /nfs/dbraw/zinc/65/15/19/1272651519.db2.gz BMOKDAFJZPIEKK-MKXGPGLRSA-N 1 3 327.472 2.506 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N[C@@H]1CCCN(C(=O)c3ccccc3)C1)C2 ZINC001169097556 1272651529 /nfs/dbraw/zinc/65/15/29/1272651529.db2.gz BMOKDAFJZPIEKK-MKXGPGLRSA-N 1 3 327.472 2.506 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)C2 ZINC001169079149 1272657620 /nfs/dbraw/zinc/65/76/20/1272657620.db2.gz JCRPKWKHFXNPDP-FZKCQIBNSA-N 1 3 339.277 2.697 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H](O)c1cccc(Br)c1)C2 ZINC001169079153 1272659400 /nfs/dbraw/zinc/65/94/00/1272659400.db2.gz JCRPKWKHFXNPDP-LVQVYYBASA-N 1 3 339.277 2.697 20 0 EFADHO CC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)N3CCCC3)CC2)C1 ZINC001034703585 1272666314 /nfs/dbraw/zinc/66/63/14/1272666314.db2.gz CQZSPTKPPFHXAI-VNGAXPGBSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169126549 1272681853 /nfs/dbraw/zinc/68/18/53/1272681853.db2.gz WDHZKUFPOSGJDH-XCLNPWKQSA-N 1 3 331.479 2.957 20 0 EFADHO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169126549 1272681866 /nfs/dbraw/zinc/68/18/66/1272681866.db2.gz WDHZKUFPOSGJDH-XCLNPWKQSA-N 1 3 331.479 2.957 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125434 1272682590 /nfs/dbraw/zinc/68/25/90/1272682590.db2.gz ILWNGXHKFNVZIZ-NCOADZHNSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC001169125434 1272682593 /nfs/dbraw/zinc/68/25/93/1272682593.db2.gz ILWNGXHKFNVZIZ-NCOADZHNSA-N 1 3 337.508 2.800 20 0 EFADHO C[C@@H]1CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001169125788 1272682692 /nfs/dbraw/zinc/68/26/92/1272682692.db2.gz LLQDXXDLHJZWCM-UHDSXZAQSA-N 1 3 337.508 2.847 20 0 EFADHO C[C@@H]1CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)C[C@H]1NC(=O)OC(C)(C)C ZINC001169125788 1272682700 /nfs/dbraw/zinc/68/27/00/1272682700.db2.gz LLQDXXDLHJZWCM-UHDSXZAQSA-N 1 3 337.508 2.847 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169129911 1272686650 /nfs/dbraw/zinc/68/66/50/1272686650.db2.gz LRRWRURFBCOKBS-NQNKBUKLSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]31)C2 ZINC001169129911 1272686656 /nfs/dbraw/zinc/68/66/56/1272686656.db2.gz LRRWRURFBCOKBS-NQNKBUKLSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131799 1272690374 /nfs/dbraw/zinc/69/03/74/1272690374.db2.gz ZMZZOWGQHFKIAE-UHDSXZAQSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C1)C2 ZINC001169131799 1272690377 /nfs/dbraw/zinc/69/03/77/1272690377.db2.gz ZMZZOWGQHFKIAE-UHDSXZAQSA-N 1 3 335.492 2.553 20 0 EFADHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)c1cccc(F)c1NC3=O)C2 ZINC001169136883 1272697700 /nfs/dbraw/zinc/69/77/00/1272697700.db2.gz BIGFIKTWXYCFGQ-QDMKHBRRSA-N 1 3 343.446 2.737 20 0 EFADHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N1CCC3(CC1)c1cccc(F)c1NC3=O)C2 ZINC001169136883 1272697707 /nfs/dbraw/zinc/69/77/07/1272697707.db2.gz BIGFIKTWXYCFGQ-QDMKHBRRSA-N 1 3 343.446 2.737 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169145485 1272706630 /nfs/dbraw/zinc/70/66/30/1272706630.db2.gz MSTDPSXMHKZFGK-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169145485 1272706637 /nfs/dbraw/zinc/70/66/37/1272706637.db2.gz MSTDPSXMHKZFGK-YYIAUSFCSA-N 1 3 337.508 2.943 20 0 EFADHO COC(=O)[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001169152900 1272712869 /nfs/dbraw/zinc/71/28/69/1272712869.db2.gz FLSNIUDHYGEZPT-SPOLIRPYSA-N 1 3 346.446 2.639 20 0 EFADHO COC(=O)[C@H]1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ccc(F)cc1 ZINC001169152900 1272712875 /nfs/dbraw/zinc/71/28/75/1272712875.db2.gz FLSNIUDHYGEZPT-SPOLIRPYSA-N 1 3 346.446 2.639 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](N3Cc4ccccc4C3=O)C1)C2 ZINC001169155022 1272714981 /nfs/dbraw/zinc/71/49/81/1272714981.db2.gz WCLXKINNNCUDIG-FCGDIQPGSA-N 1 3 339.483 2.732 20 0 EFADHO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](N3Cc4ccccc4C3=O)C1)C2 ZINC001169155022 1272714984 /nfs/dbraw/zinc/71/49/84/1272714984.db2.gz WCLXKINNNCUDIG-FCGDIQPGSA-N 1 3 339.483 2.732 20 0 EFADHO C[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001169153276 1272715684 /nfs/dbraw/zinc/71/56/84/1272715684.db2.gz IKXRSGOWPAFLMP-MWDXBVQZSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3C)CCCN1C(=O)OC(C)(C)C ZINC001169153276 1272715690 /nfs/dbraw/zinc/71/56/90/1272715690.db2.gz IKXRSGOWPAFLMP-MWDXBVQZSA-N 1 3 337.508 2.943 20 0 EFADHO C[C@@H]1CCCCN1c1cccc(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001169240558 1272764339 /nfs/dbraw/zinc/76/43/39/1272764339.db2.gz KHROGMCVBDCMPJ-OAHLLOKOSA-N 1 3 340.475 2.762 20 0 EFADHO CCN(CC)C(=O)C[C@H](C)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001169452204 1272925908 /nfs/dbraw/zinc/92/59/08/1272925908.db2.gz LHVWUDZJQAFAPY-HNNXBMFYSA-N 1 3 335.467 2.723 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001129332150 1272963590 /nfs/dbraw/zinc/96/35/90/1272963590.db2.gz ADRIWZRGEJDBNE-ZDUSSCGKSA-N 1 3 343.924 2.585 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCc2ccc(Cl)s2)C1 ZINC001129332150 1272963600 /nfs/dbraw/zinc/96/36/00/1272963600.db2.gz ADRIWZRGEJDBNE-ZDUSSCGKSA-N 1 3 343.924 2.585 20 0 EFADHO C[C@H]1CN(Cc2cc(O)cc(Br)c2)CCC[C@H]1C[NH3+] ZINC001206013103 1273018444 /nfs/dbraw/zinc/01/84/44/1273018444.db2.gz PLXVVNSIBORGNB-AAEUAGOBSA-N 1 3 327.266 2.962 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034817039 1273060459 /nfs/dbraw/zinc/06/04/59/1273060459.db2.gz OQIURZNWQALEHN-LJQANCHMSA-N 1 3 329.488 2.677 20 0 EFADHO CCC[NH+]1CCC(N[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169720274 1273120995 /nfs/dbraw/zinc/12/09/95/1273120995.db2.gz HFEWZWQIBZHILX-IBGZPJMESA-N 1 3 329.488 2.755 20 0 EFADHO CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001034883206 1273146367 /nfs/dbraw/zinc/14/63/67/1273146367.db2.gz ANJCOPBEAPPBJA-WOJBJXKFSA-N 1 3 343.515 2.814 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC001034884848 1273149528 /nfs/dbraw/zinc/14/95/28/1273149528.db2.gz MEFDXQKOGCGHGW-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN1C ZINC001034885520 1273149634 /nfs/dbraw/zinc/14/96/34/1273149634.db2.gz VMCCZBMEMUJYPV-QUCCMNQESA-N 1 3 343.515 2.985 20 0 EFADHO CC(C)c1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1 ZINC001034884847 1273150179 /nfs/dbraw/zinc/15/01/79/1273150179.db2.gz MEFDXQKOGCGHGW-UXHICEINSA-N 1 3 343.515 2.985 20 0 EFADHO [NH3+]C1(c2cccc(F)c2)CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169921861 1273261898 /nfs/dbraw/zinc/26/18/98/1273261898.db2.gz AZYMHNPZPJOTEB-KRWDZBQOSA-N 1 3 334.435 2.761 20 0 EFADHO c1cc(CN2CCC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)ccn1 ZINC001169923229 1273263307 /nfs/dbraw/zinc/26/33/07/1273263307.db2.gz HIZBLRAELUVUIZ-LJQANCHMSA-N 1 3 345.487 2.569 20 0 EFADHO c1ccc(CN2CCC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)nc1 ZINC001169923890 1273263458 /nfs/dbraw/zinc/26/34/58/1273263458.db2.gz KEUIGYGQGARSAX-GOSISDBHSA-N 1 3 345.487 2.569 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC001034956599 1273269554 /nfs/dbraw/zinc/26/95/54/1273269554.db2.gz BPJJTDZYCZXODD-IEBWSBKVSA-N 1 3 341.499 2.739 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl)C1CCC1 ZINC001034957710 1273270846 /nfs/dbraw/zinc/27/08/46/1273270846.db2.gz GCGQRWSGSZAXPV-QGZVFWFLSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1F ZINC001034957379 1273270970 /nfs/dbraw/zinc/27/09/70/1273270970.db2.gz RDBQRQPQFQUYDS-QGZVFWFLSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)C1(N(C)C)CCC1 ZINC001034957024 1273271322 /nfs/dbraw/zinc/27/13/22/1273271322.db2.gz IBXDZVLXICFLRP-GOSISDBHSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1sccc1Cl)N(C)C ZINC001034971407 1273286742 /nfs/dbraw/zinc/28/67/42/1273286742.db2.gz MRDCYDZRLUWKFA-TZMCWYRMSA-N 1 3 343.924 2.822 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1)N(C)C ZINC001034974441 1273296094 /nfs/dbraw/zinc/29/60/94/1273296094.db2.gz HYFJVIZPQLSLKI-RTBURBONSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001034974435 1273296606 /nfs/dbraw/zinc/29/66/06/1273296606.db2.gz HWGYBFLMKPFPAH-HZPDHXFCSA-N 1 3 345.478 2.733 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21)N(C)C ZINC001034975287 1273298016 /nfs/dbraw/zinc/29/80/16/1273298016.db2.gz QAWHLJDCNRPRPG-YZGWKJHDSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c(C)s1 ZINC001034961422 1273313622 /nfs/dbraw/zinc/31/36/22/1273313622.db2.gz RUMVUYBEKLICSW-MSOLQXFVSA-N 1 3 349.544 2.786 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001034964199 1273317644 /nfs/dbraw/zinc/31/76/44/1273317644.db2.gz BKGCZNCOJIXOFU-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001034967031 1273320692 /nfs/dbraw/zinc/32/06/92/1273320692.db2.gz YEXCFKAPCGHHRW-OAGGEKHMSA-N 1 3 345.478 2.589 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]Cc2cc3ccccc3s2)CCC1 ZINC001129356101 1273368234 /nfs/dbraw/zinc/36/82/34/1273368234.db2.gz BDFYPLPFUUCYSB-UHFFFAOYSA-N 1 3 331.485 2.591 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+][C@H]2CCc3c2cccc3Cl)CCC1 ZINC001129356800 1273372610 /nfs/dbraw/zinc/37/26/10/1273372610.db2.gz IIYWTNDCYASISN-INIZCTEOSA-N 1 3 335.879 2.517 20 0 EFADHO CN(C)C1(C(=O)NCC[NH2+]C/C=C\c2ccc(Cl)cc2)CCC1 ZINC001129356769 1273373296 /nfs/dbraw/zinc/37/32/96/1273373296.db2.gz HLMAZSGXVAICHC-HYXAFXHYSA-N 1 3 335.879 2.543 20 0 EFADHO CC/C=C/CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN(C)C1CCC1)C2 ZINC001108704952 1273379671 /nfs/dbraw/zinc/37/96/71/1273379671.db2.gz VZBFPZPTTNPLSY-XKOHLITHSA-N 1 3 333.520 2.796 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)CC1)N(C)C ZINC001035040072 1273425871 /nfs/dbraw/zinc/42/58/71/1273425871.db2.gz RORDOTVPIMBBAT-CSODTCANSA-N 1 3 337.552 2.980 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001035039518 1273426145 /nfs/dbraw/zinc/42/61/45/1273426145.db2.gz FJXGECWVXUEGLY-WOJBJXKFSA-N 1 3 345.531 2.970 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001035039806 1273426274 /nfs/dbraw/zinc/42/62/74/1273426274.db2.gz MEINLJGAURGXTM-WOJBJXKFSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001035062392 1273449139 /nfs/dbraw/zinc/44/91/39/1273449139.db2.gz JIXSLMMBENYCKZ-GOSISDBHSA-N 1 3 340.471 2.856 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH]cn2)c(C)c1 ZINC001035063507 1273450930 /nfs/dbraw/zinc/45/09/30/1273450930.db2.gz XDTUAEZONZYDQA-GOSISDBHSA-N 1 3 340.471 2.658 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)cs1 ZINC001035047315 1273462394 /nfs/dbraw/zinc/46/23/94/1273462394.db2.gz ASQSHUFZWNDUJN-QGZVFWFLSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035047378 1273462633 /nfs/dbraw/zinc/46/26/33/1273462633.db2.gz BJVKAVWUGLQLRW-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CNCc2ccccc2Cl)C1 ZINC001035047378 1273462639 /nfs/dbraw/zinc/46/26/39/1273462639.db2.gz BJVKAVWUGLQLRW-NVXWUHKLSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1 ZINC001035048899 1273465213 /nfs/dbraw/zinc/46/52/13/1273465213.db2.gz JNIFTAHVWDAGGF-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c(C)s1 ZINC001035048969 1273465429 /nfs/dbraw/zinc/46/54/29/1273465429.db2.gz KUUHPMZEIMVMNY-RDTXWAMCSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001035049504 1273466516 /nfs/dbraw/zinc/46/65/16/1273466516.db2.gz PDZLPKYDGIFHQA-VQIMIIECSA-N 1 3 347.478 2.579 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@H]1C ZINC001035050010 1273466986 /nfs/dbraw/zinc/46/69/86/1273466986.db2.gz BHEKHIGMTKBARH-YLJYHZDGSA-N 1 3 343.515 2.814 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@H]2C)c1 ZINC001035050728 1273468777 /nfs/dbraw/zinc/46/87/77/1273468777.db2.gz HQQPBHQOIBPNAD-IEBWSBKVSA-N 1 3 329.488 2.560 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CF)cc1 ZINC001035051617 1273469405 /nfs/dbraw/zinc/46/94/05/1273469405.db2.gz QIXRYZDEUMTQKQ-VQIMIIECSA-N 1 3 347.478 2.721 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001035051954 1273469461 /nfs/dbraw/zinc/46/94/61/1273469461.db2.gz ATFWIBJWVOEOMZ-MSOLQXFVSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001035051450 1273469491 /nfs/dbraw/zinc/46/94/91/1273469491.db2.gz MVQJDLYTOSLFEP-QFBILLFUSA-N 1 3 347.478 2.699 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1)N(C)C ZINC001035052047 1273469594 /nfs/dbraw/zinc/46/95/94/1273469594.db2.gz DAGYYQAEFCGHFK-MOPGFXCFSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001035052183 1273469610 /nfs/dbraw/zinc/46/96/10/1273469610.db2.gz HCOHHKDAKFZUCV-WBVHZDCISA-N 1 3 337.895 2.761 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1F ZINC001035051603 1273469728 /nfs/dbraw/zinc/46/97/28/1273469728.db2.gz PQUVGRHXLAQUDZ-FUHWJXTLSA-N 1 3 347.478 2.699 20 0 EFADHO CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CN1CCC(C)CC1)C2 ZINC001108785368 1273471786 /nfs/dbraw/zinc/47/17/86/1273471786.db2.gz BWWFVAUMCHXANK-FHWLQOOXSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)c1 ZINC001108831228 1273522741 /nfs/dbraw/zinc/52/27/41/1273522741.db2.gz AYIZBHVJGKQDSK-ZCNNSNEGSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CN(C)C(C)C)C3)cc1 ZINC001108832003 1273522965 /nfs/dbraw/zinc/52/29/65/1273522965.db2.gz NTUNAWSRYIXHNH-ZCNNSNEGSA-N 1 3 343.515 2.804 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001035125663 1273589334 /nfs/dbraw/zinc/58/93/34/1273589334.db2.gz LRNIEYYDJJKIGT-JKSUJKDBSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001035125663 1273589341 /nfs/dbraw/zinc/58/93/41/1273589341.db2.gz LRNIEYYDJJKIGT-JKSUJKDBSA-N 1 3 349.906 2.681 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC001035125741 1273590264 /nfs/dbraw/zinc/59/02/64/1273590264.db2.gz MRVUKHUZHQGYFN-UYAOXDASSA-N 1 3 341.499 2.740 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC001035126160 1273590308 /nfs/dbraw/zinc/59/03/08/1273590308.db2.gz UCLNEGJYVAEAAC-QGZVFWFLSA-N 1 3 335.879 2.516 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)c1ccccc1F ZINC001035127689 1273591717 /nfs/dbraw/zinc/59/17/17/1273591717.db2.gz WIUKHPKAEOABMU-HZPDHXFCSA-N 1 3 333.451 2.563 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001035131941 1273600261 /nfs/dbraw/zinc/60/02/61/1273600261.db2.gz UVLAQTWGRLMDNR-WOJBJXKFSA-N 1 3 343.515 2.950 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC001035131939 1273600729 /nfs/dbraw/zinc/60/07/29/1273600729.db2.gz UVLAQTWGRLMDNR-UXHICEINSA-N 1 3 343.515 2.950 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)c2ccccc2CN(C)C)C1 ZINC001035132038 1273600986 /nfs/dbraw/zinc/60/09/86/1273600986.db2.gz XLXIUJHLUXFQAM-FAFZWHIHSA-N 1 3 343.515 2.989 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001035166113 1273633829 /nfs/dbraw/zinc/63/38/29/1273633829.db2.gz GQIFURUMTMPFGA-IBGZPJMESA-N 1 3 345.531 2.896 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC3=CCCCC3)C2)CC1 ZINC001035166113 1273633840 /nfs/dbraw/zinc/63/38/40/1273633840.db2.gz GQIFURUMTMPFGA-IBGZPJMESA-N 1 3 345.531 2.896 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001035166169 1273634169 /nfs/dbraw/zinc/63/41/69/1273634169.db2.gz JLBMBUOWZYGDJX-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCCC3CCC3)C2)CC1 ZINC001035166169 1273634184 /nfs/dbraw/zinc/63/41/84/1273634184.db2.gz JLBMBUOWZYGDJX-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](F)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035199031 1273766254 /nfs/dbraw/zinc/76/62/54/1273766254.db2.gz ZSBCWAJUYNLRKC-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](F)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1C)CC2 ZINC001035199031 1273766261 /nfs/dbraw/zinc/76/62/61/1273766261.db2.gz ZSBCWAJUYNLRKC-SJORKVTESA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CC[C@H](C)F)C2)CC1)N(C)C ZINC001035225041 1273841515 /nfs/dbraw/zinc/84/15/15/1273841515.db2.gz SMPIGUGJNBJQJQ-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CC[C@H](C)F)C2)CC1)N(C)C ZINC001035225041 1273841527 /nfs/dbraw/zinc/84/15/27/1273841527.db2.gz SMPIGUGJNBJQJQ-DLBZAZTESA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035225418 1273841866 /nfs/dbraw/zinc/84/18/66/1273841866.db2.gz YUYFCSZXAMYFSF-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](CCC3CC3)C2)CC1)N(C)C ZINC001035225418 1273841880 /nfs/dbraw/zinc/84/18/80/1273841880.db2.gz YUYFCSZXAMYFSF-GOSISDBHSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228515 1273851891 /nfs/dbraw/zinc/85/18/91/1273851891.db2.gz SUAHHSUQSHQPMC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CN1CCC[C@H]1C)CC2 ZINC001035228515 1273851902 /nfs/dbraw/zinc/85/19/02/1273851902.db2.gz SUAHHSUQSHQPMC-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035259958 1273955647 /nfs/dbraw/zinc/95/56/47/1273955647.db2.gz KFJOYTLVRMYQEI-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1CN(C)C)CC2 ZINC001035259958 1273955652 /nfs/dbraw/zinc/95/56/52/1273955652.db2.gz KFJOYTLVRMYQEI-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260532 1273957528 /nfs/dbraw/zinc/95/75/28/1273957528.db2.gz YPKKSRVRODTWGR-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001035260532 1273957530 /nfs/dbraw/zinc/95/75/30/1273957530.db2.gz YPKKSRVRODTWGR-SFHVURJKSA-N 1 3 335.536 2.975 20 0 EFADHO CC1(C)CC(N2CCC([NH3+])(c3cccnc3)CC2)CC(C)(C)N1O ZINC001169984660 1273990915 /nfs/dbraw/zinc/99/09/15/1273990915.db2.gz OFAYQQJVTVGMSC-UHFFFAOYSA-N 1 3 332.492 2.742 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCC1CCC1)N(C)C ZINC001109427020 1274263204 /nfs/dbraw/zinc/26/32/04/1274263204.db2.gz KMSSVOJSEDZRKR-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1)N(C)C ZINC001109427020 1274263206 /nfs/dbraw/zinc/26/32/06/1274263206.db2.gz KMSSVOJSEDZRKR-XWSJACJDSA-N 1 3 335.536 2.874 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)C1CC1 ZINC001035721277 1274407164 /nfs/dbraw/zinc/40/71/64/1274407164.db2.gz SXDRFHRGOCDCJW-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)C1CC1 ZINC001035721275 1274407198 /nfs/dbraw/zinc/40/71/98/1274407198.db2.gz SXDRFHRGOCDCJW-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(CN(Cc3ccccc3)C2)CC1)[NH+](C)C ZINC001035727145 1274415361 /nfs/dbraw/zinc/41/53/61/1274415361.db2.gz NZZVSRWBCCDAFN-IBGZPJMESA-N 1 3 343.515 2.697 20 0 EFADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCF)CCCCC1 ZINC001109560842 1274419482 /nfs/dbraw/zinc/41/94/82/1274419482.db2.gz UJRQLUJQLOWNKX-IKGGRYGDSA-N 1 3 339.499 2.580 20 0 EFADHO CC[C@H](C(=O)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1)N(C)C ZINC001035731525 1274420043 /nfs/dbraw/zinc/42/00/43/1274420043.db2.gz HVMLYKBKVXWLRQ-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@H+]13)CC2 ZINC001035733601 1274423784 /nfs/dbraw/zinc/42/37/84/1274423784.db2.gz VWSKBSZVVWHXJR-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035733601 1274423787 /nfs/dbraw/zinc/42/37/87/1274423787.db2.gz VWSKBSZVVWHXJR-RBUKOAKNSA-N 1 3 345.531 2.894 20 0 EFADHO CCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555370 1274424121 /nfs/dbraw/zinc/42/41/21/1274424121.db2.gz NPOYTFGHJMMANR-XWSJACJDSA-N 1 3 333.520 2.773 20 0 EFADHO CCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N1CCCC1)C2 ZINC001109555370 1274424126 /nfs/dbraw/zinc/42/41/26/1274424126.db2.gz NPOYTFGHJMMANR-XWSJACJDSA-N 1 3 333.520 2.773 20 0 EFADHO CC(C)=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565516 1274430485 /nfs/dbraw/zinc/43/04/85/1274430485.db2.gz RLZDSXFLRYUJTH-SQNIBIBYSA-N 1 3 333.520 2.939 20 0 EFADHO CC[C@@H](C(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1)N(C)C ZINC001035797845 1274495822 /nfs/dbraw/zinc/49/58/22/1274495822.db2.gz HVWRCCGRJVFRPQ-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C[NH+](CCC3CCCC3)C2)CC1 ZINC001035798898 1274497018 /nfs/dbraw/zinc/49/70/18/1274497018.db2.gz RRUUYJOBFKUOCF-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001109688227 1274555057 /nfs/dbraw/zinc/55/50/57/1274555057.db2.gz DBLIDNFOUKHPHP-YDZRNGNQSA-N 1 3 347.547 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001109688227 1274555063 /nfs/dbraw/zinc/55/50/63/1274555063.db2.gz DBLIDNFOUKHPHP-YDZRNGNQSA-N 1 3 347.547 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)N(C)C ZINC001109688327 1274555173 /nfs/dbraw/zinc/55/51/73/1274555173.db2.gz JFXKGNDWWANRKL-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)N(C)C ZINC001109688327 1274555179 /nfs/dbraw/zinc/55/51/79/1274555179.db2.gz JFXKGNDWWANRKL-YDZRNGNQSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCc1ccccc1)N(C)C ZINC001109688367 1274555236 /nfs/dbraw/zinc/55/52/36/1274555236.db2.gz LKSDUQOHFSNRKH-FUMNGEBKSA-N 1 3 343.515 2.537 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1ccccc1)N(C)C ZINC001109688367 1274555239 /nfs/dbraw/zinc/55/52/39/1274555239.db2.gz LKSDUQOHFSNRKH-FUMNGEBKSA-N 1 3 343.515 2.537 20 0 EFADHO O=C(CN1CCCC1)N1CCC2(C[NH+](CC3CCCCC3)C2)CC1 ZINC001035851623 1274558961 /nfs/dbraw/zinc/55/89/61/1274558961.db2.gz UJZAWQRBBYBSNW-UHFFFAOYSA-N 1 3 333.520 2.587 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCCF)[NH+](CC)CC ZINC001109714541 1274570926 /nfs/dbraw/zinc/57/09/26/1274570926.db2.gz OFCIKTIAXUWFMA-OWSLCNJRSA-N 1 3 341.515 2.968 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001035836091 1274573298 /nfs/dbraw/zinc/57/32/98/1274573298.db2.gz GBJNSAXKMGCJKM-RBUKOAKNSA-N 1 3 347.547 2.997 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CCCC3)C2)CC1 ZINC001035858772 1274611691 /nfs/dbraw/zinc/61/16/91/1274611691.db2.gz ZMMLMCYBEWZZBD-IBGZPJMESA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035858984 1274612238 /nfs/dbraw/zinc/61/22/38/1274612238.db2.gz PSKBIVBZUUZMFP-HDICACEKSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CCN1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035858984 1274612245 /nfs/dbraw/zinc/61/22/45/1274612245.db2.gz PSKBIVBZUUZMFP-HDICACEKSA-N 1 3 333.520 2.750 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109926535 1274843290 /nfs/dbraw/zinc/84/32/90/1274843290.db2.gz IORYQRHYSRCTRS-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C)c1 ZINC001109926535 1274843297 /nfs/dbraw/zinc/84/32/97/1274843297.db2.gz IORYQRHYSRCTRS-QYZOEREBSA-N 1 3 329.488 2.558 20 0 EFADHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1[NH2+]CC1CCC1 ZINC001036027135 1274898959 /nfs/dbraw/zinc/89/89/59/1274898959.db2.gz GGHDTKKXFXGEGC-AEFFLSMTSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001036055438 1274980564 /nfs/dbraw/zinc/98/05/64/1274980564.db2.gz PCEMZRYZLXINEZ-MJGOQNOKSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C[C@@H]2C)cc1 ZINC001036056520 1274982974 /nfs/dbraw/zinc/98/29/74/1274982974.db2.gz VOKLHDGMGUNMJL-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110013682 1274986068 /nfs/dbraw/zinc/98/60/68/1274986068.db2.gz WFZJBWWZGYALOQ-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C)cc1 ZINC001110013682 1274986076 /nfs/dbraw/zinc/98/60/76/1274986076.db2.gz WFZJBWWZGYALOQ-AABGKKOBSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001036064112 1274994122 /nfs/dbraw/zinc/99/41/22/1274994122.db2.gz LPUHQIMQIPLUOE-RHSMWYFYSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001036065297 1275017013 /nfs/dbraw/zinc/01/70/13/1275017013.db2.gz OGMJJGCIUCDDMG-APWZRJJASA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1[NH2+]CCc1ccccc1 ZINC001036066112 1275020114 /nfs/dbraw/zinc/02/01/14/1275020114.db2.gz QRLJZDBGWCBWKA-FXAWDEMLSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCc1ccccc1 ZINC001036066113 1275020318 /nfs/dbraw/zinc/02/03/18/1275020318.db2.gz QRLJZDBGWCBWKA-PXNSSMCTSA-N 1 3 343.515 2.540 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)(C)C2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC001036197180 1275209960 /nfs/dbraw/zinc/20/99/60/1275209960.db2.gz WISWJNWTXDFRHV-PKOBYXMFSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC001036208132 1275228629 /nfs/dbraw/zinc/22/86/29/1275228629.db2.gz VTHMDTGQOTVTDG-GUYCJALGSA-N 1 3 346.862 2.632 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@@H]2C)c(C)s1 ZINC001036191908 1275249193 /nfs/dbraw/zinc/24/91/93/1275249193.db2.gz FTJHJRJBFUURMP-YVEFUNNKSA-N 1 3 346.500 2.657 20 0 EFADHO CC[N@H+](CCCCC(F)(F)F)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114161 1275280333 /nfs/dbraw/zinc/28/03/33/1275280333.db2.gz RKIHBTPHJJJRKT-CQSZACIVSA-N 1 3 339.446 2.886 20 0 EFADHO CC[N@@H+](CCCCC(F)(F)F)[C@H](C)CNC(=O)CN(C)C(C)C ZINC001157114161 1275280344 /nfs/dbraw/zinc/28/03/44/1275280344.db2.gz RKIHBTPHJJJRKT-CQSZACIVSA-N 1 3 339.446 2.886 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCC3)[C@@H](C)C2)CC1 ZINC001036223072 1275292750 /nfs/dbraw/zinc/29/27/50/1275292750.db2.gz DOTVQFCRQITYJZ-PKOBYXMFSA-N 1 3 335.536 2.735 20 0 EFADHO CCC(CC)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585890 1275309187 /nfs/dbraw/zinc/30/91/87/1275309187.db2.gz XNOULMOHXDBWHA-ICSRJNTNSA-N 1 3 337.552 2.981 20 0 EFADHO CC/C=C\CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112585962 1275312731 /nfs/dbraw/zinc/31/27/31/1275312731.db2.gz BAZFWCPTXLNJOP-AQIYZVDXSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC(C)(C)C)C1 ZINC001112586210 1275312861 /nfs/dbraw/zinc/31/28/61/1275312861.db2.gz NCBYNFDBQFCNHW-PXNSSMCTSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cccc(CN(C)C)c1)C2 ZINC001112585370 1275320768 /nfs/dbraw/zinc/32/07/68/1275320768.db2.gz UOXWQAIYXICTAE-FPOVZHCZSA-N 1 3 343.515 2.990 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112585386 1275320889 /nfs/dbraw/zinc/32/08/89/1275320889.db2.gz VIDZUYNQOIYBNS-PXNSSMCTSA-N 1 3 347.478 2.550 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001036302396 1275382712 /nfs/dbraw/zinc/38/27/12/1275382712.db2.gz JCAQZIUDTKVZSF-APWZRJJASA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@@H]1[NH2+]CC1CC1 ZINC001036305907 1275426040 /nfs/dbraw/zinc/42/60/40/1275426040.db2.gz VJDVXDFLEBMTIM-BEFAXECRSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CCC1 ZINC001036306642 1275427483 /nfs/dbraw/zinc/42/74/83/1275427483.db2.gz YEOCITSLIQNZLH-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(N2CCNC2=O)cc1 ZINC000786837679 1275539592 /nfs/dbraw/zinc/53/95/92/1275539592.db2.gz SJEORMSDLOORHQ-QILLFSRXSA-N 1 3 330.476 2.740 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001036408793 1275551148 /nfs/dbraw/zinc/55/11/48/1275551148.db2.gz GROSVETTWFLIGY-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO COc1ccc(C[C@H]2CCCCN2C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000844414803 1278963770 /nfs/dbraw/zinc/96/37/70/1278963770.db2.gz YHDVRXVXEQQBTD-RTBURBONSA-N 1 3 332.488 2.549 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001036408293 1275595714 /nfs/dbraw/zinc/59/57/14/1275595714.db2.gz AAAFEBIZFBEAGC-DOTOQJQBSA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]([NH2+]CC(C)(C)CN1CCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786924877 1275596972 /nfs/dbraw/zinc/59/69/72/1275596972.db2.gz BDLSYEXDRAJTIA-MRXNPFEDSA-N 1 3 344.503 2.989 20 0 EFADHO CC(C)[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001036477162 1275726592 /nfs/dbraw/zinc/72/65/92/1275726592.db2.gz XTLPWWSDQYKGGZ-IAGOWNOFSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036451253 1275734296 /nfs/dbraw/zinc/73/42/96/1275734296.db2.gz SACQEYNGZJHCBA-GOEBONIOSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036451255 1275734446 /nfs/dbraw/zinc/73/44/46/1275734446.db2.gz SACQEYNGZJHCBA-ZBFHGGJFSA-N 1 3 344.434 2.508 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001036451252 1275734524 /nfs/dbraw/zinc/73/45/24/1275734524.db2.gz SACQEYNGZJHCBA-GDBMZVCRSA-N 1 3 344.434 2.508 20 0 EFADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cccc(N3CCCC[C@H]3C)n2)O1 ZINC001170278449 1278994019 /nfs/dbraw/zinc/99/40/19/1278994019.db2.gz PXJHZLXZHIPOOC-YKTARERQSA-N 1 3 348.491 2.597 20 0 EFADHO CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001170083656 1276110877 /nfs/dbraw/zinc/11/08/77/1276110877.db2.gz XZHYCZJZGXLGDJ-RDGPPVDQSA-N 1 3 333.524 2.888 20 0 EFADHO CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2C)C1 ZINC001170083656 1276110879 /nfs/dbraw/zinc/11/08/79/1276110879.db2.gz XZHYCZJZGXLGDJ-RDGPPVDQSA-N 1 3 333.524 2.888 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001135976532 1276274852 /nfs/dbraw/zinc/27/48/52/1276274852.db2.gz KVGNQFKRPYACOL-PQGVJJGYSA-N 1 3 331.504 2.915 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC001135976162 1276275030 /nfs/dbraw/zinc/27/50/30/1276275030.db2.gz HFZAWUXWGWWNFZ-DLBZAZTESA-N 1 3 349.519 2.548 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001135977557 1276276120 /nfs/dbraw/zinc/27/61/20/1276276120.db2.gz VPBPEUAEXUUNLE-KBPBESRZSA-N 1 3 341.446 2.680 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001136030881 1276339015 /nfs/dbraw/zinc/33/90/15/1276339015.db2.gz DJMWLWRROAAOOU-JKSUJKDBSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001136031199 1276339158 /nfs/dbraw/zinc/33/91/58/1276339158.db2.gz HFVFHRQSADDWQY-KGLIPLIRSA-N 1 3 346.450 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001136030879 1276339181 /nfs/dbraw/zinc/33/91/81/1276339181.db2.gz DJMWLWRROAAOOU-HOTGVXAUSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001136030926 1276339420 /nfs/dbraw/zinc/33/94/20/1276339420.db2.gz DPOODSZFGNAWBP-CVEARBPZSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001136030932 1276339587 /nfs/dbraw/zinc/33/95/87/1276339587.db2.gz DPOODSZFGNAWBP-JKSUJKDBSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001136031332 1276340527 /nfs/dbraw/zinc/34/05/27/1276340527.db2.gz IXLCPIJXWWWEME-HZPDHXFCSA-N 1 3 342.487 2.951 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001136032239 1276340881 /nfs/dbraw/zinc/34/08/81/1276340881.db2.gz XVHGVWLYVLWHCN-HOTGVXAUSA-N 1 3 342.487 2.685 20 0 EFADHO C[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCCN1 ZINC000817896982 1276366525 /nfs/dbraw/zinc/36/65/25/1276366525.db2.gz AVRUGPPCGSWQHK-OXQOHEQNSA-N 1 3 330.520 2.842 20 0 EFADHO C[C@@H](NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817896982 1276366530 /nfs/dbraw/zinc/36/65/30/1276366530.db2.gz AVRUGPPCGSWQHK-OXQOHEQNSA-N 1 3 330.520 2.842 20 0 EFADHO COc1ccc([C@H](NC[C@@H](C)N2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000817913123 1276374479 /nfs/dbraw/zinc/37/44/79/1276374479.db2.gz FHXGNNIDGXQRQJ-AHRSYUTCSA-N 1 3 331.504 2.952 20 0 EFADHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000817924163 1276379443 /nfs/dbraw/zinc/37/94/43/1276379443.db2.gz FJOVEHITDLIXSQ-FCRQHZQGSA-N 1 3 340.467 2.729 20 0 EFADHO N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817935936 1276382667 /nfs/dbraw/zinc/38/26/67/1276382667.db2.gz PZJSWKUKUICZNE-RBSFLKMASA-N 1 3 327.266 2.732 20 0 EFADHO C[C@@H](CC(=O)Nc1cccnc1Cl)N[C@H](C[NH3+])C1CCCCC1 ZINC000817959504 1276399574 /nfs/dbraw/zinc/39/95/74/1276399574.db2.gz SCUPVZQPFDYSLQ-SWLSCSKDSA-N 1 3 338.883 2.949 20 0 EFADHO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000817959156 1276399634 /nfs/dbraw/zinc/39/96/34/1276399634.db2.gz PULCRPPQZHMJCZ-DZFGPLHGSA-N 1 3 345.531 2.773 20 0 EFADHO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH3+])C2)cc1Cn1cccn1 ZINC000817970070 1276413584 /nfs/dbraw/zinc/41/35/84/1276413584.db2.gz KOFWEQYVFGBFMF-WBAXXEDZSA-N 1 3 328.460 2.861 20 0 EFADHO CCOc1cccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972947 1276414515 /nfs/dbraw/zinc/41/45/15/1276414515.db2.gz QIDXBGDVSAXCRS-CZUORRHYSA-N 1 3 345.409 2.572 20 0 EFADHO C[C@@H](N[C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ncc1F ZINC000817976982 1276416836 /nfs/dbraw/zinc/41/68/36/1276416836.db2.gz YKZVVLMCECLWOO-BXKDBHETSA-N 1 3 328.229 2.776 20 0 EFADHO CC(C)N1CCN(CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170901469 1276520358 /nfs/dbraw/zinc/52/03/58/1276520358.db2.gz CNEWBQBCAJVAIH-QGZVFWFLSA-N 1 3 335.923 2.813 20 0 EFADHO CON(C)C(=O)CCNCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000818961489 1276551280 /nfs/dbraw/zinc/55/12/80/1276551280.db2.gz SJNUGLORKMTGCT-IAGOWNOFSA-N 1 3 347.503 2.664 20 0 EFADHO O[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000819061313 1276581379 /nfs/dbraw/zinc/58/13/79/1276581379.db2.gz KQEKRTAJFKOLMX-ZWKOTPCHSA-N 1 3 338.879 2.606 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000819105792 1276611560 /nfs/dbraw/zinc/61/15/60/1276611560.db2.gz PDIDSTOALOFHGL-KCPJHIHWSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000819105792 1276611563 /nfs/dbraw/zinc/61/15/63/1276611563.db2.gz PDIDSTOALOFHGL-KCPJHIHWSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@@H](CC[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158171 1276660861 /nfs/dbraw/zinc/66/08/61/1276660861.db2.gz ZCOHSHSDKYIWAN-FXAWDEMLSA-N 1 3 337.552 2.935 20 0 EFADHO C[C@@H](CC[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1)CC(C)(C)C ZINC001273158171 1276660871 /nfs/dbraw/zinc/66/08/71/1276660871.db2.gz ZCOHSHSDKYIWAN-FXAWDEMLSA-N 1 3 337.552 2.935 20 0 EFADHO CN(C)c1ccc(NC(=O)CCNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000819259965 1276714368 /nfs/dbraw/zinc/71/43/68/1276714368.db2.gz NMUSIQCWNUSRSV-UHFFFAOYSA-N 1 3 346.519 2.793 20 0 EFADHO COc1ccc([C@@H]2C[C@H]2NC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000819277751 1276724739 /nfs/dbraw/zinc/72/47/39/1276724739.db2.gz NHJSXKSVLHEKJQ-HLAWJBBLSA-N 1 3 340.467 2.634 20 0 EFADHO COc1ccc([C@@H]2C[C@H]2NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000819277751 1276724746 /nfs/dbraw/zinc/72/47/46/1276724746.db2.gz NHJSXKSVLHEKJQ-HLAWJBBLSA-N 1 3 340.467 2.634 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C\Cl)NC(=O)CCC[NH+](C)C ZINC001174961047 1287269049 /nfs/dbraw/zinc/26/90/49/1287269049.db2.gz JMNUYAOSZURQJL-MBFWDRTGSA-N 1 3 338.323 2.912 20 0 EFADHO C[C@H](CCCCNC/C(Cl)=C/Cl)NC(=O)CCC[NH+](C)C ZINC001174961044 1287269151 /nfs/dbraw/zinc/26/91/51/1287269151.db2.gz JMNUYAOSZURQJL-KECPUOCWSA-N 1 3 338.323 2.912 20 0 EFADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001168762486 1277260672 /nfs/dbraw/zinc/26/06/72/1277260672.db2.gz CRBQNOAPGUCBCO-AWEZNQCLSA-N 1 3 325.884 2.839 20 0 EFADHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000790126031 1277293672 /nfs/dbraw/zinc/29/36/72/1277293672.db2.gz BXNXIXYUXCNCSM-QFBILLFUSA-N 1 3 346.519 2.886 20 0 EFADHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000790126031 1277293678 /nfs/dbraw/zinc/29/36/78/1277293678.db2.gz BXNXIXYUXCNCSM-QFBILLFUSA-N 1 3 346.519 2.886 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cs1 ZINC001005991544 1277321117 /nfs/dbraw/zinc/32/11/17/1277321117.db2.gz OPFKAEKYEYLEKZ-HNNXBMFYSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cs1 ZINC001005991544 1277321125 /nfs/dbraw/zinc/32/11/25/1277321125.db2.gz OPFKAEKYEYLEKZ-HNNXBMFYSA-N 1 3 349.544 2.821 20 0 EFADHO C[C@H]1CCCN1CC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001005994740 1277347634 /nfs/dbraw/zinc/34/76/34/1277347634.db2.gz HZLYGMWBZNXFMP-KRWDZBQOSA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC001005998943 1277400358 /nfs/dbraw/zinc/40/03/58/1277400358.db2.gz XACPTLZOOJMQSL-RDTXWAMCSA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(CN2CCC(N(C)C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC001005998943 1277400370 /nfs/dbraw/zinc/40/03/70/1277400370.db2.gz XACPTLZOOJMQSL-RDTXWAMCSA-N 1 3 349.544 2.677 20 0 EFADHO C[C@@H]1CN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[C@H]1[NH3+] ZINC000923289772 1277504767 /nfs/dbraw/zinc/50/47/67/1277504767.db2.gz LPHXRVACMKARJK-JTDSTZFVSA-N 1 3 337.467 2.825 20 0 EFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCC)CCCO1 ZINC001150452909 1287295912 /nfs/dbraw/zinc/29/59/12/1287295912.db2.gz JMYQSJVVMCGUPT-GOSISDBHSA-N 1 3 341.540 2.506 20 0 EFADHO CCCCCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCC)CCCO1 ZINC001150452909 1287295917 /nfs/dbraw/zinc/29/59/17/1287295917.db2.gz JMYQSJVVMCGUPT-GOSISDBHSA-N 1 3 341.540 2.506 20 0 EFADHO CC(C)C[C@H](C)CN1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001113522178 1277992924 /nfs/dbraw/zinc/99/29/24/1277992924.db2.gz ZJRXHAITTMNUFP-SFHVURJKSA-N 1 3 349.563 2.935 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086596779 1278010326 /nfs/dbraw/zinc/01/03/26/1278010326.db2.gz SKFQZBFCKHKGLF-XUVXKRRUSA-N 1 3 343.515 2.711 20 0 EFADHO CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001086596779 1278010333 /nfs/dbraw/zinc/01/03/33/1278010333.db2.gz SKFQZBFCKHKGLF-XUVXKRRUSA-N 1 3 343.515 2.711 20 0 EFADHO CC(C)N1CCN(CCC[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792907985 1279260190 /nfs/dbraw/zinc/26/01/90/1279260190.db2.gz QJKWLCIRHXCCGQ-JKSUJKDBSA-N 1 3 348.362 2.918 20 0 EFADHO CC(C)N1CCN(CCC[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC000792907985 1279260195 /nfs/dbraw/zinc/26/01/95/1279260195.db2.gz QJKWLCIRHXCCGQ-JKSUJKDBSA-N 1 3 348.362 2.918 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001091059460 1279484968 /nfs/dbraw/zinc/48/49/68/1279484968.db2.gz PGDANXDDHKELPE-KVZIAJEVSA-N 1 3 347.547 2.926 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2csc(C)c2)C1 ZINC001091059170 1279485138 /nfs/dbraw/zinc/48/51/38/1279485138.db2.gz GEWHZZIWDNUYTB-VJFUWPCTSA-N 1 3 349.544 2.915 20 0 EFADHO CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001086613270 1279623283 /nfs/dbraw/zinc/62/32/83/1279623283.db2.gz KWJQIQVABBYIDF-YZGWKJHDSA-N 1 3 343.515 2.855 20 0 EFADHO CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001086613270 1279623297 /nfs/dbraw/zinc/62/32/97/1279623297.db2.gz KWJQIQVABBYIDF-YZGWKJHDSA-N 1 3 343.515 2.855 20 0 EFADHO CC(C)OCC[NH2+]CCCC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001175295360 1287376648 /nfs/dbraw/zinc/37/66/48/1287376648.db2.gz FRQPZDZZQLMYLC-QGZVFWFLSA-N 1 3 343.556 2.654 20 0 EFADHO Cc1cccnc1C[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175255448 1287380260 /nfs/dbraw/zinc/38/02/60/1287380260.db2.gz FVHZMIOFFAOBLM-ZWKOTPCHSA-N 1 3 346.519 2.639 20 0 EFADHO CCCCOCC[NH2+]CCCC[C@@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256591 1287381260 /nfs/dbraw/zinc/38/12/60/1287381260.db2.gz MLIYTPFNWJNCHV-QZTJIDSGSA-N 1 3 341.540 2.552 20 0 EFADHO C[C@@H](CCCC[NH2+]Cc1ccsc1)NC(=O)CN1CCC[C@H]1C ZINC001175256220 1287381557 /nfs/dbraw/zinc/38/15/57/1287381557.db2.gz JDRDNXPDOPHVHI-JKSUJKDBSA-N 1 3 337.533 2.997 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC[C@H]1C ZINC001175256802 1287381685 /nfs/dbraw/zinc/38/16/85/1287381685.db2.gz PAAKHILQYHRYLR-ZWKOTPCHSA-N 1 3 341.540 2.550 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)CN1CC[C@H](C)C1 ZINC001175262095 1287382578 /nfs/dbraw/zinc/38/25/78/1287382578.db2.gz ATKATRYJKOOFQI-DLBZAZTESA-N 1 3 329.504 2.733 20 0 EFADHO c1nc(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)c2ccccn12 ZINC001144618915 1279922981 /nfs/dbraw/zinc/92/29/81/1279922981.db2.gz JJINHHMUNBKXJE-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO c1nc(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c2ccccn12 ZINC001144618915 1279922984 /nfs/dbraw/zinc/92/29/84/1279922984.db2.gz JJINHHMUNBKXJE-MOPGFXCFSA-N 1 3 347.466 2.683 20 0 EFADHO C[C@@H](CCCC[NH2+]CCCF)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001175265142 1287385472 /nfs/dbraw/zinc/38/54/72/1287385472.db2.gz XNQUQPCOCVOAJC-MAUKXSAKSA-N 1 3 347.494 2.823 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1cccc(F)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001175264363 1287385506 /nfs/dbraw/zinc/38/55/06/1287385506.db2.gz UCXMMWVPSURHAO-DLBZAZTESA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H](CCCC[NH2+]Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001175265077 1287385528 /nfs/dbraw/zinc/38/55/28/1287385528.db2.gz XGLNCDCYYLJEMS-ZWKOTPCHSA-N 1 3 331.504 2.793 20 0 EFADHO C[C@H](CCCC[NH2+]CC1CC(F)(F)C1)NC(=O)CN1CC[C@H](C)C1 ZINC001175263736 1287385683 /nfs/dbraw/zinc/38/56/83/1287385683.db2.gz QVLXURNFWQAZNJ-LSDHHAIUSA-N 1 3 345.478 2.638 20 0 EFADHO C[C@@H](F)CC[NH2+]CCCC[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001175271796 1287387122 /nfs/dbraw/zinc/38/71/22/1287387122.db2.gz DMUYCPYHFSWYAX-CVEARBPZSA-N 1 3 329.504 2.731 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000794148970 1280073750 /nfs/dbraw/zinc/07/37/50/1280073750.db2.gz WESULXHVLYCXTK-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000794148970 1280073756 /nfs/dbraw/zinc/07/37/56/1280073756.db2.gz WESULXHVLYCXTK-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO [NH3+]CCC1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000846227186 1280077739 /nfs/dbraw/zinc/07/77/39/1280077739.db2.gz IQRLANMRFZJFFA-UHFFFAOYSA-N 1 3 326.440 2.843 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CC(NCc3ccccc3F)C2)CC[N@@H+]1C ZINC001091201212 1280078350 /nfs/dbraw/zinc/07/83/50/1280078350.db2.gz GQSRRUAJCYRAFW-VUGNNNGISA-N 1 3 347.478 2.540 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NCC2CC(NCc3ccccc3F)C2)CC[N@H+]1C ZINC001091201212 1280078358 /nfs/dbraw/zinc/07/83/58/1280078358.db2.gz GQSRRUAJCYRAFW-VUGNNNGISA-N 1 3 347.478 2.540 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001175315354 1287398130 /nfs/dbraw/zinc/39/81/30/1287398130.db2.gz FALKJKOPTFGYTG-QAPCUYQASA-N 1 3 337.483 2.931 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287695 1280129782 /nfs/dbraw/zinc/12/97/82/1280129782.db2.gz PXDXNNMAARBIOM-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114287695 1280129793 /nfs/dbraw/zinc/12/97/93/1280129793.db2.gz PXDXNNMAARBIOM-PIIMJCKOSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114288271 1280129847 /nfs/dbraw/zinc/12/98/47/1280129847.db2.gz VSENDFZCIGJSLN-INDMIFKZSA-N 1 3 349.563 2.980 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCCC1 ZINC001114288271 1280129850 /nfs/dbraw/zinc/12/98/50/1280129850.db2.gz VSENDFZCIGJSLN-INDMIFKZSA-N 1 3 349.563 2.980 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C/Cl)N(C)C ZINC001175316685 1287399330 /nfs/dbraw/zinc/39/93/30/1287399330.db2.gz LEAUNQVLUKEWBN-QOUCBHDVSA-N 1 3 338.323 2.910 20 0 EFADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1F ZINC001129416432 1280181573 /nfs/dbraw/zinc/18/15/73/1280181573.db2.gz HQVCGWAWPFHNQH-HNAYVOBHSA-N 1 3 347.478 3.000 20 0 EFADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1F ZINC001129416432 1280181578 /nfs/dbraw/zinc/18/15/78/1280181578.db2.gz HQVCGWAWPFHNQH-HNAYVOBHSA-N 1 3 347.478 3.000 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001129430691 1280198724 /nfs/dbraw/zinc/19/87/24/1280198724.db2.gz VVHPPKXDMITVTK-KRWDZBQOSA-N 1 3 335.517 2.669 20 0 EFADHO Cc1cc(CNCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cs1 ZINC001129430691 1280198728 /nfs/dbraw/zinc/19/87/28/1280198728.db2.gz VVHPPKXDMITVTK-KRWDZBQOSA-N 1 3 335.517 2.669 20 0 EFADHO CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)cc1 ZINC001129436330 1280199572 /nfs/dbraw/zinc/19/95/72/1280199572.db2.gz OTMDOIWBVZNCDU-BEFAXECRSA-N 1 3 331.504 2.917 20 0 EFADHO CC[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001129443098 1280202114 /nfs/dbraw/zinc/20/21/14/1280202114.db2.gz ICERHUNKJYCYFD-IAGOWNOFSA-N 1 3 337.895 2.837 20 0 EFADHO CN(CC(=O)NCC[NH2+]C/C=C\c1ccc(Cl)cc1)C1CCC1 ZINC001129531671 1280234171 /nfs/dbraw/zinc/23/41/71/1280234171.db2.gz FJMWEPBEDIYCHQ-ARJAWSKDSA-N 1 3 335.879 2.543 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091267546 1280235201 /nfs/dbraw/zinc/23/52/01/1280235201.db2.gz OIOBRHWCQHXDMV-ACBHZAAOSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccsc2)C1 ZINC001091267142 1280255537 /nfs/dbraw/zinc/25/55/37/1280255537.db2.gz AJHBMMQWZQSUEV-ABHNRTSZSA-N 1 3 349.544 2.995 20 0 EFADHO COCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001171235257 1280282253 /nfs/dbraw/zinc/28/22/53/1280282253.db2.gz GOAHRSGRTWBBDP-QGZVFWFLSA-N 1 3 341.540 2.552 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091318548 1280318283 /nfs/dbraw/zinc/31/82/83/1280318283.db2.gz BOKLPFOVXXMBSN-ACBHZAAOSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)C1(N(C)C)CCC1 ZINC001171237527 1280318659 /nfs/dbraw/zinc/31/86/59/1280318659.db2.gz QRLRQZTXBOWCRD-MRXNPFEDSA-N 1 3 329.504 2.875 20 0 EFADHO CCC[N@H+](CCCN)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171237693 1280322475 /nfs/dbraw/zinc/32/24/75/1280322475.db2.gz VOECZWQMXVZRGA-DFNIBXOVSA-N 1 3 329.488 2.883 20 0 EFADHO CCC[N@@H+](CCCN)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171237693 1280322490 /nfs/dbraw/zinc/32/24/90/1280322490.db2.gz VOECZWQMXVZRGA-DFNIBXOVSA-N 1 3 329.488 2.883 20 0 EFADHO CC(C)[C@@H](C(=O)NCCNCc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC001129950755 1280378640 /nfs/dbraw/zinc/37/86/40/1280378640.db2.gz ZLYKCSWGPLLVHS-HNNXBMFYSA-N 1 3 346.302 2.785 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[NH2+][C@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001129947339 1280381410 /nfs/dbraw/zinc/38/14/10/1280381410.db2.gz VSFBILGSRSMIQJ-IRXDYDNUSA-N 1 3 337.895 2.619 20 0 EFADHO C[C@H](CCCC[NH2+]CCC(F)(F)F)NC(=O)[C@H](C1CC1)N(C)C ZINC001171246995 1280432995 /nfs/dbraw/zinc/43/29/95/1280432995.db2.gz JHSHBZSJDWEIJF-OCCSQVGLSA-N 1 3 337.430 2.544 20 0 EFADHO C[C@H](CCCC[NH2+]CCCCCF)NC(=O)[C@@H](C1CC1)N(C)C ZINC001171246930 1280433044 /nfs/dbraw/zinc/43/30/44/1280433044.db2.gz IMSHSJFJJFLSDX-NVXWUHKLSA-N 1 3 329.504 2.731 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091377621 1280457391 /nfs/dbraw/zinc/45/73/91/1280457391.db2.gz QKPOEKFKKFIUJY-UHFFFAOYSA-N 1 3 329.488 2.646 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+]CCc1cc(Cl)cc(Cl)c1)N(C)C ZINC001130203762 1280573169 /nfs/dbraw/zinc/57/31/69/1280573169.db2.gz WTFPEITXUPBELB-OAHLLOKOSA-N 1 3 346.302 2.582 20 0 EFADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)N(C)C ZINC001130205277 1280573948 /nfs/dbraw/zinc/57/39/48/1280573948.db2.gz JLMWEPYMBYVUOZ-IUODEOHRSA-N 1 3 345.409 2.812 20 0 EFADHO CCC[N@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC000847032518 1280714791 /nfs/dbraw/zinc/71/47/91/1280714791.db2.gz LRPSRLRBUANKCO-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO CCC[N@@H+](CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C(C)C ZINC000847032518 1280714795 /nfs/dbraw/zinc/71/47/95/1280714795.db2.gz LRPSRLRBUANKCO-UHFFFAOYSA-N 1 3 346.519 2.887 20 0 EFADHO COc1ccc([C@H](CN)C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000872149332 1287445456 /nfs/dbraw/zinc/44/54/56/1287445456.db2.gz UVPQDRSBSUSVAE-HZPDHXFCSA-N 1 3 331.485 2.992 20 0 EFADHO COc1ccc([C@H](CN)C[N@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000872149332 1287445460 /nfs/dbraw/zinc/44/54/60/1287445460.db2.gz UVPQDRSBSUSVAE-HZPDHXFCSA-N 1 3 331.485 2.992 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001130425301 1280857198 /nfs/dbraw/zinc/85/71/98/1280857198.db2.gz SJWUFJRSRUMRTD-MRXNPFEDSA-N 1 3 337.895 2.763 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001130425270 1280857264 /nfs/dbraw/zinc/85/72/64/1280857264.db2.gz QUPBSYTUHZLTFB-ZDUSSCGKSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001130425270 1280857274 /nfs/dbraw/zinc/85/72/74/1280857274.db2.gz QUPBSYTUHZLTFB-ZDUSSCGKSA-N 1 3 325.884 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001130425140 1280857516 /nfs/dbraw/zinc/85/75/16/1280857516.db2.gz LIJMIMTUGGHWLP-UHFFFAOYSA-N 1 3 327.419 2.560 20 0 EFADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCc1c(C)cccc1Cl ZINC001130426867 1280859882 /nfs/dbraw/zinc/85/98/82/1280859882.db2.gz FFUBOJGSVYMQKX-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCc1c(C)cccc1Cl ZINC001130426867 1280859891 /nfs/dbraw/zinc/85/98/91/1280859891.db2.gz FFUBOJGSVYMQKX-UHFFFAOYSA-N 1 3 325.884 2.585 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001130427344 1280863628 /nfs/dbraw/zinc/86/36/28/1280863628.db2.gz MISLKPSUALFNHQ-HNNXBMFYSA-N 1 3 331.504 2.672 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001146590837 1280945033 /nfs/dbraw/zinc/94/50/33/1280945033.db2.gz BVKVKPMNXVCGHZ-HZPDHXFCSA-N 1 3 337.483 2.869 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C ZINC001146592279 1280945285 /nfs/dbraw/zinc/94/52/85/1280945285.db2.gz IWCPOUSAQJDZNT-CVEARBPZSA-N 1 3 337.483 2.847 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001146590815 1280945400 /nfs/dbraw/zinc/94/54/00/1280945400.db2.gz BKSDFVJEGYEAIS-KBPBESRZSA-N 1 3 341.446 2.678 20 0 EFADHO COCc1cccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)c1 ZINC001146592297 1280946235 /nfs/dbraw/zinc/94/62/35/1280946235.db2.gz JAMWCCASWAPLTG-IRXDYDNUSA-N 1 3 349.519 2.546 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001146595422 1280947768 /nfs/dbraw/zinc/94/77/68/1280947768.db2.gz ZBUXEIKGWWADGA-UONOGXRCSA-N 1 3 341.446 2.678 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001146595085 1280948253 /nfs/dbraw/zinc/94/82/53/1280948253.db2.gz WVKKKQKPFANLRW-NWDGAFQWSA-N 1 3 346.928 2.510 20 0 EFADHO COc1ccc(C)cc1C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001146600315 1280949973 /nfs/dbraw/zinc/94/99/73/1280949973.db2.gz FWYKXRGLOQPYLD-IAGOWNOFSA-N 1 3 349.519 2.717 20 0 EFADHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806149725 1280990946 /nfs/dbraw/zinc/99/09/46/1280990946.db2.gz XEZGQQOBVMSXPG-HYVNUMGLSA-N 1 3 335.879 2.690 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615009 1281049218 /nfs/dbraw/zinc/04/92/18/1281049218.db2.gz HLYXMKAYBRAMIV-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130615009 1281049221 /nfs/dbraw/zinc/04/92/21/1281049221.db2.gz HLYXMKAYBRAMIV-UHFFFAOYSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@@H+]1C ZINC000872204368 1287476409 /nfs/dbraw/zinc/47/64/09/1287476409.db2.gz PDIDSTOALOFHGL-NILFDRSVSA-N 1 3 327.266 2.555 20 0 EFADHO C[C@H]1C[C@H](NC[C@@H](O)c2ccc(Br)cc2)CC[N@H+]1C ZINC000872204368 1287476412 /nfs/dbraw/zinc/47/64/12/1287476412.db2.gz PDIDSTOALOFHGL-NILFDRSVSA-N 1 3 327.266 2.555 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724248 1281245970 /nfs/dbraw/zinc/24/59/70/1281245970.db2.gz ILNPLUFMHSTWAE-WMZOPIPTSA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001147724248 1281245976 /nfs/dbraw/zinc/24/59/76/1281245976.db2.gz ILNPLUFMHSTWAE-WMZOPIPTSA-N 1 3 335.536 2.543 20 0 EFADHO CCC/C=C/CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723524 1281246423 /nfs/dbraw/zinc/24/64/23/1281246423.db2.gz BQMDNSFEFLGSRU-IPLHWJFFSA-N 1 3 333.520 2.607 20 0 EFADHO CCC/C=C/CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)N(C)C)C2)C1 ZINC001147723524 1281246428 /nfs/dbraw/zinc/24/64/28/1281246428.db2.gz BQMDNSFEFLGSRU-IPLHWJFFSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)C[C@H](C)C[N@@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724990 1281248570 /nfs/dbraw/zinc/24/85/70/1281248570.db2.gz PMDUOENWHGNOCC-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[C@H](C)C[N@H+]1CCC2(CN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001147724990 1281248577 /nfs/dbraw/zinc/24/85/77/1281248577.db2.gz PMDUOENWHGNOCC-KRWDZBQOSA-N 1 3 335.536 2.687 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCc2cccc(Cl)c2)C1 ZINC001147826410 1281305670 /nfs/dbraw/zinc/30/56/70/1281305670.db2.gz VCDVFVWMQSHEAS-WBVHZDCISA-N 1 3 337.895 2.666 20 0 EFADHO COCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)C ZINC001175571415 1287488477 /nfs/dbraw/zinc/48/84/77/1287488477.db2.gz ACCIPEGVDLCBHB-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCc2ccc(Cl)c(Cl)c2)C1 ZINC001147892536 1281324968 /nfs/dbraw/zinc/32/49/68/1281324968.db2.gz JQHNXRHCCYRCBH-CYBMUJFWSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)NCCNCc2ccc(Cl)c(Cl)c2)C1 ZINC001147892536 1281324975 /nfs/dbraw/zinc/32/49/75/1281324975.db2.gz JQHNXRHCCYRCBH-CYBMUJFWSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCc2ccc(Cl)c(Cl)c2)C1 ZINC001147892538 1281326247 /nfs/dbraw/zinc/32/62/47/1281326247.db2.gz JQHNXRHCCYRCBH-ZDUSSCGKSA-N 1 3 344.286 2.541 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCc2ccc(Cl)c(Cl)c2)C1 ZINC001147892538 1281326259 /nfs/dbraw/zinc/32/62/59/1281326259.db2.gz JQHNXRHCCYRCBH-ZDUSSCGKSA-N 1 3 344.286 2.541 20 0 EFADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900214 1281351125 /nfs/dbraw/zinc/35/11/25/1281351125.db2.gz JZUBMCDJYVXSJO-QWHCGFSZSA-N 1 3 341.858 2.588 20 0 EFADHO C[C@H](NCCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(F)c(Cl)c1 ZINC001147900214 1281351138 /nfs/dbraw/zinc/35/11/38/1281351138.db2.gz JZUBMCDJYVXSJO-QWHCGFSZSA-N 1 3 341.858 2.588 20 0 EFADHO Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170528794 1281368801 /nfs/dbraw/zinc/36/88/01/1281368801.db2.gz WBRZLYAQMVOPPE-UHFFFAOYSA-N 1 3 335.455 2.695 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(C/C=C/c1ccccc1)C2 ZINC001148160383 1281437995 /nfs/dbraw/zinc/43/79/95/1281437995.db2.gz HAYGAUHEYVFPJZ-UXBLZVDNSA-N 1 3 341.499 2.576 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174383 1281442364 /nfs/dbraw/zinc/44/23/64/1281442364.db2.gz LMTNSVQNOMYEJX-INIZCTEOSA-N 1 3 347.478 2.763 20 0 EFADHO CC/C=C/CC[N@@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315648 1281515784 /nfs/dbraw/zinc/51/57/84/1281515784.db2.gz SGZLHYZFZWXLKU-BQYQJAHWSA-N 1 3 335.536 2.855 20 0 EFADHO CC/C=C/CC[N@H+]1CCC2(CN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001148315648 1281515792 /nfs/dbraw/zinc/51/57/92/1281515792.db2.gz SGZLHYZFZWXLKU-BQYQJAHWSA-N 1 3 335.536 2.855 20 0 EFADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)c1ccc(F)c(Cl)c1 ZINC001148365726 1281533771 /nfs/dbraw/zinc/53/37/71/1281533771.db2.gz XZJOGIYQGXXWKS-ZDUSSCGKSA-N 1 3 343.874 2.978 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148458719 1281558817 /nfs/dbraw/zinc/55/88/17/1281558817.db2.gz VCOUSXIMPQLQLV-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1cccc(F)c1)C2 ZINC001148458719 1281558827 /nfs/dbraw/zinc/55/88/27/1281558827.db2.gz VCOUSXIMPQLQLV-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(CF)cc1)C2 ZINC001148462648 1281561997 /nfs/dbraw/zinc/56/19/97/1281561997.db2.gz JWAZEMIHQVXPOP-UHFFFAOYSA-N 1 3 347.478 2.532 20 0 EFADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(CF)cc1)C2 ZINC001148462648 1281562004 /nfs/dbraw/zinc/56/20/04/1281562004.db2.gz JWAZEMIHQVXPOP-UHFFFAOYSA-N 1 3 347.478 2.532 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1C)C2 ZINC001148548238 1281623456 /nfs/dbraw/zinc/62/34/56/1281623456.db2.gz NXORNFHQZQUFPE-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(Cc1ccc(F)cc1C)C2 ZINC001148548238 1281623465 /nfs/dbraw/zinc/62/34/65/1281623465.db2.gz NXORNFHQZQUFPE-UHFFFAOYSA-N 1 3 347.478 2.510 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1cccc(F)c1)C2 ZINC001148551937 1281627156 /nfs/dbraw/zinc/62/71/56/1281627156.db2.gz YCJRNXJFHKLDEV-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN([C@H](C)c1cccc(F)c1)C2 ZINC001148551937 1281627168 /nfs/dbraw/zinc/62/71/68/1281627168.db2.gz YCJRNXJFHKLDEV-MRXNPFEDSA-N 1 3 347.478 2.763 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@H+](CCC(C)(C)C)C[C@@]3(C)C2)CCC1 ZINC001091735494 1281647649 /nfs/dbraw/zinc/64/76/49/1281647649.db2.gz RTXCBSRXDGRHNY-APWZRJJASA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)N2C[C@H]3C[N@@H+](CCC(C)(C)C)C[C@@]3(C)C2)CCC1 ZINC001091735494 1281647658 /nfs/dbraw/zinc/64/76/58/1281647658.db2.gz RTXCBSRXDGRHNY-APWZRJJASA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735530 1281648318 /nfs/dbraw/zinc/64/83/18/1281648318.db2.gz TZBSAQGLPGLEHE-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@]2(C)C1 ZINC001091735530 1281648325 /nfs/dbraw/zinc/64/83/25/1281648325.db2.gz TZBSAQGLPGLEHE-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCCC1CCCC1)C2 ZINC001148646961 1281669545 /nfs/dbraw/zinc/66/95/45/1281669545.db2.gz HPEBBLRLJVEMTE-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCCC1)C2 ZINC001148646961 1281669556 /nfs/dbraw/zinc/66/95/56/1281669556.db2.gz HPEBBLRLJVEMTE-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1c(C)cccc1C)C2 ZINC001148647481 1281673342 /nfs/dbraw/zinc/67/33/42/1281673342.db2.gz YYRZHJJETGHGCH-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](Cc1c(C)cccc1C)C2 ZINC001148647481 1281673350 /nfs/dbraw/zinc/67/33/50/1281673350.db2.gz YYRZHJJETGHGCH-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)c1cccc(C)c1)C2 ZINC001148651910 1281675111 /nfs/dbraw/zinc/67/51/11/1281675111.db2.gz REMYAFJLJNOPMM-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1cccc(C)c1)C2 ZINC001148651910 1281675118 /nfs/dbraw/zinc/67/51/18/1281675118.db2.gz REMYAFJLJNOPMM-GOSISDBHSA-N 1 3 343.515 2.932 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148833956 1281759766 /nfs/dbraw/zinc/75/97/66/1281759766.db2.gz OAULZMPKGCVSEH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC(C)C)C2 ZINC001148833956 1281759774 /nfs/dbraw/zinc/75/97/74/1281759774.db2.gz OAULZMPKGCVSEH-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](C/C=C/c1ccccc1)C2 ZINC001148838893 1281778240 /nfs/dbraw/zinc/77/82/40/1281778240.db2.gz HDFPZVZSURBIHN-JXMROGBWSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](C/C=C/c1ccccc1)C2 ZINC001148838893 1281778252 /nfs/dbraw/zinc/77/82/52/1281778252.db2.gz HDFPZVZSURBIHN-JXMROGBWSA-N 1 3 341.499 2.574 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CC1CCCCCC1)C2 ZINC001148838593 1281778597 /nfs/dbraw/zinc/77/85/97/1281778597.db2.gz BGZJDESVKDRZRB-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCCC1)C2 ZINC001148838593 1281778608 /nfs/dbraw/zinc/77/86/08/1281778608.db2.gz BGZJDESVKDRZRB-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCCCC(F)(F)F)C2 ZINC001148839497 1281779935 /nfs/dbraw/zinc/77/99/35/1281779935.db2.gz POFKOLWZSRFGPK-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCCCC(F)(F)F)C2 ZINC001148839497 1281779945 /nfs/dbraw/zinc/77/99/45/1281779945.db2.gz POFKOLWZSRFGPK-UHFFFAOYSA-N 1 3 349.441 2.594 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC001148839186 1281780998 /nfs/dbraw/zinc/78/09/98/1281780998.db2.gz KNEQLJZEWSTVEN-UHFFFAOYSA-N 1 3 347.528 2.658 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCCOC ZINC001175738087 1287533619 /nfs/dbraw/zinc/53/36/19/1287533619.db2.gz FYFNJAIXDKGMLV-GOSISDBHSA-N 1 3 343.556 2.800 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+][C@H](C)COC ZINC001175740023 1287534501 /nfs/dbraw/zinc/53/45/01/1287534501.db2.gz QRFWSEXXGAABOC-ZWKOTPCHSA-N 1 3 343.556 2.798 20 0 EFADHO C[C@H]1CC2(CN1C(=O)[C@@H]1CCCN1C)CC[NH+](CC1CCC1)CC2 ZINC001086908386 1281910287 /nfs/dbraw/zinc/91/02/87/1281910287.db2.gz ZKVLJKNHOBMXJO-WMZOPIPTSA-N 1 3 333.520 2.584 20 0 EFADHO C[C@H]1CC2(CN1C(=O)CN(C)C1CCC1)CC[NH+](CCCF)CC2 ZINC001086927138 1281949589 /nfs/dbraw/zinc/94/95/89/1281949589.db2.gz TWNKHJJVRFLDOZ-INIZCTEOSA-N 1 3 339.499 2.533 20 0 EFADHO CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001086941301 1281970475 /nfs/dbraw/zinc/97/04/75/1281970475.db2.gz PMENKIBISBKQIP-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001086942256 1281971982 /nfs/dbraw/zinc/97/19/82/1281971982.db2.gz MMYKOWXGWYHHGT-ROUUACIJSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)OCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171358791 1282046613 /nfs/dbraw/zinc/04/66/13/1282046613.db2.gz KFLIFCGCJVTWRU-MSOLQXFVSA-N 1 3 343.556 2.652 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(C)nc1C ZINC001175766967 1287547111 /nfs/dbraw/zinc/54/71/11/1287547111.db2.gz CPSODAZOAYSNAN-MRXNPFEDSA-N 1 3 348.535 2.805 20 0 EFADHO Cc1ncccc1C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001171367485 1282118510 /nfs/dbraw/zinc/11/85/10/1282118510.db2.gz NTVVRJUGKHIJBM-APWZRJJASA-N 1 3 348.535 2.741 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091780596 1282147359 /nfs/dbraw/zinc/14/73/59/1282147359.db2.gz RMWIQOOSXDCTGV-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@]2(C)C1)N(C)C ZINC001091780596 1282147368 /nfs/dbraw/zinc/14/73/68/1282147368.db2.gz RMWIQOOSXDCTGV-SBHAEUEKSA-N 1 3 343.515 2.616 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091984690 1282282199 /nfs/dbraw/zinc/28/21/99/1282282199.db2.gz ADRNYYGFRXNIOQ-SBHAEUEKSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CC3=CCCCC3)C[C@@]2(C)C1)N(C)C ZINC001091984690 1282282208 /nfs/dbraw/zinc/28/22/08/1282282208.db2.gz ADRNYYGFRXNIOQ-SBHAEUEKSA-N 1 3 347.547 2.853 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1)N(C)C ZINC001091985470 1282284593 /nfs/dbraw/zinc/28/45/93/1282284593.db2.gz SWWMFQWZHJTIJU-HLIPFELVSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2C[N@@H+](CCC(C)(C)C)C[C@@]2(C)C1)N(C)C ZINC001091985470 1282284599 /nfs/dbraw/zinc/28/45/99/1282284599.db2.gz SWWMFQWZHJTIJU-HLIPFELVSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)C2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000809616315 1282320458 /nfs/dbraw/zinc/32/04/58/1282320458.db2.gz NAZNFMYJPMEFRH-DLBZAZTESA-N 1 3 344.455 2.670 20 0 EFADHO CC(C)(C)[NH+]1CCC(NC(=O)C2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000809616318 1282320797 /nfs/dbraw/zinc/32/07/97/1282320797.db2.gz NAZNFMYJPMEFRH-SJORKVTESA-N 1 3 344.455 2.670 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001092011182 1282337484 /nfs/dbraw/zinc/33/74/84/1282337484.db2.gz RXUYMPAKNPZRFW-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2C[N@@H+](CCC3CCCC3)C[C@@]2(C)C1 ZINC001092011182 1282337489 /nfs/dbraw/zinc/33/74/89/1282337489.db2.gz RXUYMPAKNPZRFW-DSKINZAPSA-N 1 3 347.547 2.831 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014896 1282338868 /nfs/dbraw/zinc/33/88/68/1282338868.db2.gz GMKUDLFNRFSATR-NQIIRXRSSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014896 1282338874 /nfs/dbraw/zinc/33/88/74/1282338874.db2.gz GMKUDLFNRFSATR-NQIIRXRSSA-N 1 3 349.563 2.935 20 0 EFADHO CCC(CC)C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013295 1282339782 /nfs/dbraw/zinc/33/97/82/1282339782.db2.gz MMRPCDXYUDWVNS-POAQFYNOSA-N 1 3 335.536 2.545 20 0 EFADHO CCC(CC)C[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013295 1282339789 /nfs/dbraw/zinc/33/97/89/1282339789.db2.gz MMRPCDXYUDWVNS-POAQFYNOSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022788 1282341869 /nfs/dbraw/zinc/34/18/69/1282341869.db2.gz FQGUEUHXWGDKOJ-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@@]2(C)C1)N(C)C ZINC001092022788 1282341876 /nfs/dbraw/zinc/34/18/76/1282341876.db2.gz FQGUEUHXWGDKOJ-DYXWJJEUSA-N 1 3 343.515 2.616 20 0 EFADHO CC1CCC(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC1 ZINC001092053094 1282351595 /nfs/dbraw/zinc/35/15/95/1282351595.db2.gz YIOAMJSUTGWBEZ-CVVKJMNTSA-N 1 3 344.503 2.559 20 0 EFADHO CC1CCC(C[N@H+]2C[C@@H]3CN(C(=O)Cc4c[nH]cn4)C[C@]3(C)C2)CC1 ZINC001092053094 1282351604 /nfs/dbraw/zinc/35/16/04/1282351604.db2.gz YIOAMJSUTGWBEZ-CVVKJMNTSA-N 1 3 344.503 2.559 20 0 EFADHO Cc1ccc(F)cc1CNCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835312 1282426202 /nfs/dbraw/zinc/42/62/02/1282426202.db2.gz SYHQDKMZCAKAAR-UHFFFAOYSA-N 1 3 335.467 2.604 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736027 1282435713 /nfs/dbraw/zinc/43/57/13/1282435713.db2.gz ZHDYKBCEXHVJNO-JBACZVJFSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CN[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000809736027 1282435722 /nfs/dbraw/zinc/43/57/22/1282435722.db2.gz ZHDYKBCEXHVJNO-JBACZVJFSA-N 1 3 345.531 2.596 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@H+](CC4CC4)C[C@@]3(C)C2)c1 ZINC001092295683 1282577709 /nfs/dbraw/zinc/57/77/09/1282577709.db2.gz AWDPSJUJEWXLEQ-CTNGQTDRSA-N 1 3 341.499 2.552 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@H]3C[N@@H+](CC4CC4)C[C@@]3(C)C2)c1 ZINC001092295683 1282577718 /nfs/dbraw/zinc/57/77/18/1282577718.db2.gz AWDPSJUJEWXLEQ-CTNGQTDRSA-N 1 3 341.499 2.552 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC001092658199 1282914136 /nfs/dbraw/zinc/91/41/36/1282914136.db2.gz LCQPHSWRINTPEO-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001092658199 1282914142 /nfs/dbraw/zinc/91/41/42/1282914142.db2.gz LCQPHSWRINTPEO-RLLQIKCJSA-N 1 3 343.515 2.745 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCc2ccccc2)C1 ZINC001132152939 1283049181 /nfs/dbraw/zinc/04/91/81/1283049181.db2.gz LFAGKYFDGFUEQH-PKOBYXMFSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCc2ccccc2)C1 ZINC001132152939 1283049195 /nfs/dbraw/zinc/04/91/95/1283049195.db2.gz LFAGKYFDGFUEQH-PKOBYXMFSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCc2ccccc2)C1 ZINC001132152937 1283049689 /nfs/dbraw/zinc/04/96/89/1283049689.db2.gz LFAGKYFDGFUEQH-IEBWSBKVSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCc2ccccc2)C1 ZINC001132152937 1283049694 /nfs/dbraw/zinc/04/96/94/1283049694.db2.gz LFAGKYFDGFUEQH-IEBWSBKVSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCc2ccccc2)C1 ZINC001132152936 1283049735 /nfs/dbraw/zinc/04/97/35/1283049735.db2.gz LFAGKYFDGFUEQH-HKUYNNGSSA-N 1 3 345.531 2.929 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCc2ccccc2)C1 ZINC001132152936 1283049741 /nfs/dbraw/zinc/04/97/41/1283049741.db2.gz LFAGKYFDGFUEQH-HKUYNNGSSA-N 1 3 345.531 2.929 20 0 EFADHO C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CN1CCCF ZINC001132202516 1283150997 /nfs/dbraw/zinc/15/09/97/1283150997.db2.gz HYWSCXUAVKYSDL-DLBZAZTESA-N 1 3 341.515 2.827 20 0 EFADHO [NH3+]C[C@@H]1COc2ccccc2N1c1cc(CN2CCCCC2)ccn1 ZINC001171392543 1283177303 /nfs/dbraw/zinc/17/73/03/1283177303.db2.gz LLNYOKWDFJFKBF-QGZVFWFLSA-N 1 3 338.455 2.925 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735949 1283312186 /nfs/dbraw/zinc/31/21/86/1283312186.db2.gz SJCMWVCPTPBGKT-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3CCC(C)(C)C)C2)CCC1 ZINC001036735949 1283312194 /nfs/dbraw/zinc/31/21/94/1283312194.db2.gz SJCMWVCPTPBGKT-IRXDYDNUSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735811 1283314134 /nfs/dbraw/zinc/31/41/34/1283314134.db2.gz QMUYTNXKCOVWFL-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H]2CN(C(=O)C3(N(C)C)CCC3)CC[C@@H]21 ZINC001036735811 1283314143 /nfs/dbraw/zinc/31/41/43/1283314143.db2.gz QMUYTNXKCOVWFL-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224543 1283513181 /nfs/dbraw/zinc/51/31/81/1283513181.db2.gz AGPZLBODFYCGRQ-JFIYKMOQSA-N 1 3 349.494 2.794 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@@H](CNC(=O)c2ccccc2CN(C)C)[C@H](C)C1 ZINC001093224543 1283513192 /nfs/dbraw/zinc/51/31/92/1283513192.db2.gz AGPZLBODFYCGRQ-JFIYKMOQSA-N 1 3 349.494 2.794 20 0 EFADHO CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093369579 1283800279 /nfs/dbraw/zinc/80/02/79/1283800279.db2.gz DIGMGOHVPAVWED-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001093369579 1283800293 /nfs/dbraw/zinc/80/02/93/1283800293.db2.gz DIGMGOHVPAVWED-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378777 1283835224 /nfs/dbraw/zinc/83/52/24/1283835224.db2.gz SXGKGNZXALOBNI-LPHOPBHVSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC001093378777 1283835235 /nfs/dbraw/zinc/83/52/35/1283835235.db2.gz SXGKGNZXALOBNI-LPHOPBHVSA-N 1 3 333.520 2.584 20 0 EFADHO CC[N@@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)CN(C)C(C)C)CC1 ZINC001132554230 1283926147 /nfs/dbraw/zinc/92/61/47/1283926147.db2.gz DMHCDNOSCKZAJS-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CC[N@H+]1CCC[C@@H](N(Cc2ccccn2)C(=O)CN(C)C(C)C)CC1 ZINC001132554230 1283926152 /nfs/dbraw/zinc/92/61/52/1283926152.db2.gz DMHCDNOSCKZAJS-LJQANCHMSA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[N@H+](CC)CC1)N(C)C ZINC001132555592 1283932885 /nfs/dbraw/zinc/93/28/85/1283932885.db2.gz WXHDMCNXOPDCQK-OALUTQOASA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[N@@H+](CC)CC1)N(C)C ZINC001132555592 1283932897 /nfs/dbraw/zinc/93/28/97/1283932897.db2.gz WXHDMCNXOPDCQK-OALUTQOASA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[N@H+](CC)CC1)N(C)C ZINC001132555593 1283932933 /nfs/dbraw/zinc/93/29/33/1283932933.db2.gz WXHDMCNXOPDCQK-RBUKOAKNSA-N 1 3 346.519 2.625 20 0 EFADHO CC[C@H](C(=O)N(Cc1ccccn1)[C@H]1CCC[N@@H+](CC)CC1)N(C)C ZINC001132555593 1283932942 /nfs/dbraw/zinc/93/29/42/1283932942.db2.gz WXHDMCNXOPDCQK-RBUKOAKNSA-N 1 3 346.519 2.625 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001036830108 1284171960 /nfs/dbraw/zinc/17/19/60/1284171960.db2.gz POKNYUVRJFNMJX-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CCCCC2)C1 ZINC001036830108 1284171970 /nfs/dbraw/zinc/17/19/70/1284171970.db2.gz POKNYUVRJFNMJX-IEBWSBKVSA-N 1 3 344.503 2.845 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC3CCCC3)C2)CC1 ZINC001036852800 1284324366 /nfs/dbraw/zinc/32/43/66/1284324366.db2.gz JVOVUWCRQULTGZ-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3CC3CCCC3)C2)CC1 ZINC001036852800 1284324376 /nfs/dbraw/zinc/32/43/76/1284324376.db2.gz JVOVUWCRQULTGZ-UXHICEINSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853186 1284326871 /nfs/dbraw/zinc/32/68/71/1284326871.db2.gz PHKSTDLBDLAXSK-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CN3CCC(C)CC3)CC[C@H]21 ZINC001036853186 1284326880 /nfs/dbraw/zinc/32/68/80/1284326880.db2.gz PHKSTDLBDLAXSK-RTBURBONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CC[C@@H]1C ZINC001132830172 1284357846 /nfs/dbraw/zinc/35/78/46/1284357846.db2.gz AQGRSSOMFWHJDZ-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C ZINC001132893783 1284430105 /nfs/dbraw/zinc/43/01/05/1284430105.db2.gz SDAAWYKYMVEXJK-ZWKOTPCHSA-N 1 3 337.552 2.981 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001132937103 1284488262 /nfs/dbraw/zinc/48/82/62/1284488262.db2.gz GKQOXUOQNLFBGE-MJGOQNOKSA-N 1 3 345.531 2.991 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCC(C)C)C1 ZINC001132938509 1284490987 /nfs/dbraw/zinc/49/09/87/1284490987.db2.gz VATRFBIPERUDEB-IAGOWNOFSA-N 1 3 325.541 2.837 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001132938778 1284492013 /nfs/dbraw/zinc/49/20/13/1284492013.db2.gz ZBZMADZEVSCGBH-RJXMKIDGSA-N 1 3 329.916 2.543 20 0 EFADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001093824094 1284544111 /nfs/dbraw/zinc/54/41/11/1284544111.db2.gz GNQLGQOUQQVCEQ-ATZDWAIDSA-N 1 3 333.520 2.511 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CC3(CCC3)C2)[C@H](C)C1)N(C)C ZINC001093839398 1284555750 /nfs/dbraw/zinc/55/57/50/1284555750.db2.gz MUGAPJDUWDHEOK-QRQLOZEOSA-N 1 3 349.563 2.837 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@H]2C)cs1 ZINC001094040162 1284728824 /nfs/dbraw/zinc/72/88/24/1284728824.db2.gz DCEYZBXLCFVGPZ-IIDMSEBBSA-N 1 3 349.544 2.725 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C[NH2+]CC3CCCCC3)[C@H](C)C2)C1 ZINC001094042188 1284730059 /nfs/dbraw/zinc/73/00/59/1284730059.db2.gz NAPXHBHHFBCYBV-ZHALLVOQSA-N 1 3 335.536 2.593 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1)N(C)C ZINC001094049461 1284732488 /nfs/dbraw/zinc/73/24/88/1284732488.db2.gz UHIKQQMABPIOOE-QRQLOZEOSA-N 1 3 349.563 2.981 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C)cc1 ZINC001094049163 1284732568 /nfs/dbraw/zinc/73/25/68/1284732568.db2.gz KIBWVHYVNKODNX-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001094049654 1284733262 /nfs/dbraw/zinc/73/32/62/1284733262.db2.gz ZPHXDOPLPAVVSB-AHRSYUTCSA-N 1 3 345.531 2.773 20 0 EFADHO C[C@@H]1CCN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1C[NH2+]C/C=C\Cl ZINC001133122015 1284831916 /nfs/dbraw/zinc/83/19/16/1284831916.db2.gz NNLQFVHYRQIXCP-ICFKLAHKSA-N 1 3 343.943 2.791 20 0 EFADHO CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135794 1284850326 /nfs/dbraw/zinc/85/03/26/1284850326.db2.gz XCRVHWHVKKITEJ-LZCSOBMZSA-N 1 3 332.492 2.773 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001133177860 1284935390 /nfs/dbraw/zinc/93/53/90/1284935390.db2.gz ITJFVMQBACITRO-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001133178118 1284937088 /nfs/dbraw/zinc/93/70/88/1284937088.db2.gz KYDHHGWZDSSDCW-DLBZAZTESA-N 1 3 325.541 2.839 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(CC)CC)CC[C@H]1C ZINC001133181949 1284944722 /nfs/dbraw/zinc/94/47/22/1284944722.db2.gz LPTXYYVBZKVLGZ-MSOLQXFVSA-N 1 3 325.541 2.983 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001133182992 1284946568 /nfs/dbraw/zinc/94/65/68/1284946568.db2.gz WRMKSFMOLDQZBO-UYAOXDASSA-N 1 3 345.531 2.645 20 0 EFADHO CCCCCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]C(C)C)C1 ZINC001133185990 1284952563 /nfs/dbraw/zinc/95/25/63/1284952563.db2.gz LSEWIBCWVJNSPL-ZWKOTPCHSA-N 1 3 325.541 2.981 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133190790 1284965514 /nfs/dbraw/zinc/96/55/14/1284965514.db2.gz IOVWUTMSSAFYKP-AEFFLSMTSA-N 1 3 349.494 2.742 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC001133190795 1284965905 /nfs/dbraw/zinc/96/59/05/1284965905.db2.gz IOVWUTMSSAFYKP-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@H]1C ZINC001133194520 1284972109 /nfs/dbraw/zinc/97/21/09/1284972109.db2.gz GVGOBSJYRSJYPF-RTBURBONSA-N 1 3 337.552 2.839 20 0 EFADHO CCCCC[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)CC[C@@H]1C ZINC001133194755 1284972507 /nfs/dbraw/zinc/97/25/07/1284972507.db2.gz KBXPGWXJEZEBFV-RBUKOAKNSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133274348 1285112136 /nfs/dbraw/zinc/11/21/36/1285112136.db2.gz GUAMWQVANXFCAH-HKUYNNGSSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001133274278 1285112367 /nfs/dbraw/zinc/11/23/67/1285112367.db2.gz FIHGUPQRVRGCND-RDJZCZTQSA-N 1 3 337.533 2.664 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001133274126 1285113622 /nfs/dbraw/zinc/11/36/22/1285113622.db2.gz BMXTUCMETYZRCE-MJGOQNOKSA-N 1 3 337.552 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001133274056 1285114015 /nfs/dbraw/zinc/11/40/15/1285114015.db2.gz APQGUBARILFKLH-HKUYNNGSSA-N 1 3 349.563 2.983 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C ZINC001133274702 1285114818 /nfs/dbraw/zinc/11/48/18/1285114818.db2.gz MKGREMFVWWEWSB-ROUUACIJSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133276110 1285114415 /nfs/dbraw/zinc/11/44/15/1285114415.db2.gz ZQKXPKHKOXSQLY-QUCCMNQESA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001133276027 1285114735 /nfs/dbraw/zinc/11/47/35/1285114735.db2.gz YWCZRYNPYDDZEF-WMZOPIPTSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCCC(C)C)C1 ZINC001133275391 1285115653 /nfs/dbraw/zinc/11/56/53/1285115653.db2.gz SKFXBXXMQBQRHE-ZWKOTPCHSA-N 1 3 325.541 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001133274617 1285115862 /nfs/dbraw/zinc/11/58/62/1285115862.db2.gz LHEPKJVTKOKZNX-FUHWJXTLSA-N 1 3 337.552 2.839 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC001133276109 1285115693 /nfs/dbraw/zinc/11/56/93/1285115693.db2.gz ZQKXPKHKOXSQLY-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCc2c1cc(Cl)cc2Cl ZINC001133297175 1285172862 /nfs/dbraw/zinc/17/28/62/1285172862.db2.gz IYVBSQLCRWRYQA-HNNXBMFYSA-N 1 3 344.286 2.638 20 0 EFADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000812510644 1285204955 /nfs/dbraw/zinc/20/49/55/1285204955.db2.gz YKSGDRPITYNSPF-SFHVURJKSA-N 1 3 348.535 2.531 20 0 EFADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(CCc1ccccc1)CCN(C)C ZINC000812510644 1285204961 /nfs/dbraw/zinc/20/49/61/1285204961.db2.gz YKSGDRPITYNSPF-SFHVURJKSA-N 1 3 348.535 2.531 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001133346577 1285219817 /nfs/dbraw/zinc/21/98/17/1285219817.db2.gz MYUFCEXNJCWSRW-PKOBYXMFSA-N 1 3 337.552 2.981 20 0 EFADHO CCC[NH2+]C[C@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1C ZINC001133341565 1285221642 /nfs/dbraw/zinc/22/16/42/1285221642.db2.gz IACZKFGAOFNEOH-AEFFLSMTSA-N 1 3 331.504 2.846 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]Cc2ccccc2)C1 ZINC001133346598 1285224342 /nfs/dbraw/zinc/22/43/42/1285224342.db2.gz NFOBZUVZWVDDPZ-HKUYNNGSSA-N 1 3 331.504 2.601 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@H]2C)c1 ZINC001133346200 1285228696 /nfs/dbraw/zinc/22/86/96/1285228696.db2.gz KTXUTLZSGVNESU-QUCCMNQESA-N 1 3 345.531 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCCCCF)C1 ZINC001133345868 1285229139 /nfs/dbraw/zinc/22/91/39/1285229139.db2.gz HYZZEEJBCHNYSM-IRXDYDNUSA-N 1 3 329.504 2.541 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001133345920 1285229646 /nfs/dbraw/zinc/22/96/46/1285229646.db2.gz IFDMYAVCZUFCPW-MJGOQNOKSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001133347217 1285234261 /nfs/dbraw/zinc/23/42/61/1285234261.db2.gz UWYVEZSCFYUEAN-AEFFLSMTSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001133347382 1285235351 /nfs/dbraw/zinc/23/53/51/1285235351.db2.gz WVZHQEFJAZCVQF-IEBWSBKVSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)CN(C)C(C)C)CC[C@@H]2C)cc1 ZINC001133347546 1285237223 /nfs/dbraw/zinc/23/72/23/1285237223.db2.gz XPCVIQSDWWURGN-ICSRJNTNSA-N 1 3 345.531 2.909 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](C1CC1)N(C)C ZINC001133398227 1285315666 /nfs/dbraw/zinc/31/56/66/1285315666.db2.gz KUQTXUZKZVGEQW-QGZVFWFLSA-N 1 3 337.895 2.618 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NC[C@]23CCC[C@H]2N(CCF)CC3)c1 ZINC001094582418 1285353603 /nfs/dbraw/zinc/35/36/03/1285353603.db2.gz NZDSLGVZYJMTGN-UYAOXDASSA-N 1 3 347.478 2.692 20 0 EFADHO CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001133404106 1285356446 /nfs/dbraw/zinc/35/64/46/1285356446.db2.gz YEJCQEGHXNDUKR-OAHLLOKOSA-N 1 3 337.895 2.620 20 0 EFADHO CC[N@H+](C)CCC(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133410533 1285372528 /nfs/dbraw/zinc/37/25/28/1285372528.db2.gz LTUDGFKNGASDAQ-UHFFFAOYSA-N 1 3 343.874 2.570 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(CCNCCF)Cc1cccc(Cl)c1 ZINC001133410533 1285372538 /nfs/dbraw/zinc/37/25/38/1285372538.db2.gz LTUDGFKNGASDAQ-UHFFFAOYSA-N 1 3 343.874 2.570 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCF)C1 ZINC001036902346 1285381686 /nfs/dbraw/zinc/38/16/86/1285381686.db2.gz JHZJXCISSFJOGR-PKOBYXMFSA-N 1 3 347.478 2.644 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCF)C1 ZINC001036902346 1285381697 /nfs/dbraw/zinc/38/16/97/1285381697.db2.gz JHZJXCISSFJOGR-PKOBYXMFSA-N 1 3 347.478 2.644 20 0 EFADHO CC(C)COc1cccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001133419730 1285381987 /nfs/dbraw/zinc/38/19/87/1285381987.db2.gz WCSGRCIGJKYYPL-LJQANCHMSA-N 1 3 349.519 2.513 20 0 EFADHO COc1ccc(C(C)C)cc1CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133418997 1285382039 /nfs/dbraw/zinc/38/20/39/1285382039.db2.gz HWYWUQAMBDQMIL-LJQANCHMSA-N 1 3 349.519 2.611 20 0 EFADHO CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902323 1285382385 /nfs/dbraw/zinc/38/23/85/1285382385.db2.gz JASRLQFHBPQXGA-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902323 1285382390 /nfs/dbraw/zinc/38/23/90/1285382390.db2.gz JASRLQFHBPQXGA-MOPGFXCFSA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902324 1285382510 /nfs/dbraw/zinc/38/25/10/1285382510.db2.gz JASRLQFHBPQXGA-OALUTQOASA-N 1 3 329.488 2.695 20 0 EFADHO CCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902324 1285382514 /nfs/dbraw/zinc/38/25/14/1285382514.db2.gz JASRLQFHBPQXGA-OALUTQOASA-N 1 3 329.488 2.695 20 0 EFADHO CC(C)[C@H](C(=O)NCC[NH2+]C/C=C/c1ccc(Cl)cc1)N(C)C ZINC001133419876 1285383123 /nfs/dbraw/zinc/38/31/23/1285383123.db2.gz YGCKQQULYFXPSG-FUTAKVPZSA-N 1 3 337.895 2.645 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC3CC3)C2)c1 ZINC001036903053 1285384093 /nfs/dbraw/zinc/38/40/93/1285384093.db2.gz UPBQEIGOSLKFDA-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3CC3CC3)C2)c1 ZINC001036903053 1285384106 /nfs/dbraw/zinc/38/41/06/1285384106.db2.gz UPBQEIGOSLKFDA-VQTJNVASSA-N 1 3 341.499 2.695 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902960 1285384494 /nfs/dbraw/zinc/38/44/94/1285384494.db2.gz SRIPQKNICDIRHY-UXHICEINSA-N 1 3 343.515 2.941 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)CC[C@@H]21 ZINC001036902960 1285384505 /nfs/dbraw/zinc/38/45/05/1285384505.db2.gz SRIPQKNICDIRHY-UXHICEINSA-N 1 3 343.515 2.941 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H](CCN2C/C=C/Cl)C1 ZINC001036904595 1285392569 /nfs/dbraw/zinc/39/25/69/1285392569.db2.gz UUASCOSHVBDEFD-ACISRZNPSA-N 1 3 339.911 2.538 20 0 EFADHO CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001171500233 1285568138 /nfs/dbraw/zinc/56/81/38/1285568138.db2.gz JDCQWOKUJWHUKB-DZGCQCFKSA-N 1 3 340.537 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001171499020 1285584321 /nfs/dbraw/zinc/58/43/21/1285584321.db2.gz FALKJKOPTFGYTG-CRAIPNDOSA-N 1 3 337.483 2.931 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001171501990 1285610841 /nfs/dbraw/zinc/61/08/41/1285610841.db2.gz ZMBFINWEQLLSOB-VQIMIIECSA-N 1 3 349.519 2.800 20 0 EFADHO CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CCC(F)(F)F)N(C)C ZINC001171508339 1285616749 /nfs/dbraw/zinc/61/67/49/1285616749.db2.gz CPGZNIDEMFCARR-CHWSQXEVSA-N 1 3 325.419 2.544 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001171586519 1285636467 /nfs/dbraw/zinc/63/64/67/1285636467.db2.gz PCYXWMRCCNUHEM-INIZCTEOSA-N 1 3 334.508 2.577 20 0 EFADHO C[C@H](CN)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171593149 1285640491 /nfs/dbraw/zinc/64/04/91/1285640491.db2.gz KAVYHZMXWOMOJX-QLFBSQMISA-N 1 3 327.513 2.985 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@@H](CN2CCOCC2)C(C)(C)C)CC1(C)C ZINC001171629174 1285661228 /nfs/dbraw/zinc/66/12/28/1285661228.db2.gz ORIKRFKMRONMDC-KRWDZBQOSA-N 1 3 339.568 2.974 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H](CN2CCOCC2)C(C)(C)C)CC1(C)C ZINC001171629174 1285661237 /nfs/dbraw/zinc/66/12/37/1285661237.db2.gz ORIKRFKMRONMDC-KRWDZBQOSA-N 1 3 339.568 2.974 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)CCCC[NH2+]C[C@H]1CCCCO1 ZINC001171596781 1285669632 /nfs/dbraw/zinc/66/96/32/1285669632.db2.gz RHYDCLHIWQZFRQ-DLBZAZTESA-N 1 3 341.540 2.550 20 0 EFADHO CN1C(C)(C)CC([NH2+]CCCCCCN2C(=O)C=CC2=O)CC1(C)C ZINC001171621503 1285681802 /nfs/dbraw/zinc/68/18/02/1285681802.db2.gz LSBNFJHLRQLNCX-UHFFFAOYSA-N 1 3 349.519 2.713 20 0 EFADHO CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)C2 ZINC001171619829 1285681968 /nfs/dbraw/zinc/68/19/68/1285681968.db2.gz RRLOAFFHCLODGX-MRXNPFEDSA-N 1 3 345.531 2.967 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@]23C[C@H]2CN(C(=O)c2ccco2)C3)CC1(C)C ZINC001171619058 1285682143 /nfs/dbraw/zinc/68/21/43/1285682143.db2.gz GCLSJJHWPUAJGA-XOBRGWDASA-N 1 3 345.487 2.735 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@@H]2CCN(Cc3ccccn3)C2)CC1(C)C ZINC001171627301 1285691519 /nfs/dbraw/zinc/69/15/19/1285691519.db2.gz OFSDBXKOVOLOHA-QGZVFWFLSA-N 1 3 330.520 2.897 20 0 EFADHO C[NH+]1C(C)(C)CC(N[C@H]2CCCN(c3ccncn3)C2)CC1(C)C ZINC001171627326 1285691563 /nfs/dbraw/zinc/69/15/63/1285691563.db2.gz PLXQVJJPBQGBSI-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO CN1C(C)(C)CC([NH2+][C@H]2CCCN(c3ccncn3)C2)CC1(C)C ZINC001171627326 1285691567 /nfs/dbraw/zinc/69/15/67/1285691567.db2.gz PLXQVJJPBQGBSI-HNNXBMFYSA-N 1 3 331.508 2.686 20 0 EFADHO COc1cnc(O[C@H]2CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171641308 1285721180 /nfs/dbraw/zinc/72/11/80/1285721180.db2.gz OHAXEOVVSADLAU-HNNXBMFYSA-N 1 3 348.491 2.590 20 0 EFADHO COc1cnc(O[C@H]2CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)nc1 ZINC001171641308 1285721189 /nfs/dbraw/zinc/72/11/89/1285721189.db2.gz OHAXEOVVSADLAU-HNNXBMFYSA-N 1 3 348.491 2.590 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001171762447 1285770028 /nfs/dbraw/zinc/77/00/28/1285770028.db2.gz FBQHLWLGCXEIEB-GOSISDBHSA-N 1 3 335.467 2.641 20 0 EFADHO CCCN(C)CC(=O)NCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001171763274 1285770194 /nfs/dbraw/zinc/77/01/94/1285770194.db2.gz WYXSAHAJPKEYHR-UHFFFAOYSA-N 1 3 327.419 2.562 20 0 EFADHO C[C@H]1C[C@@H](n2c(=N)sc3c2CCNC3)C[N@@H+]1Cc1ccccc1 ZINC001171764136 1285771788 /nfs/dbraw/zinc/77/17/88/1285771788.db2.gz RDYHUCPHYFADHE-DZGCQCFKSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@H]1C[C@@H](n2c(=N)sc3c2CCNC3)C[N@H+]1Cc1ccccc1 ZINC001171764136 1285771795 /nfs/dbraw/zinc/77/17/95/1285771795.db2.gz RDYHUCPHYFADHE-DZGCQCFKSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@@H]1C[C@@H](n2c(=N)sc3c2CCNC3)C[N@@H+]1Cc1ccccc1 ZINC001171764138 1285772427 /nfs/dbraw/zinc/77/24/27/1285772427.db2.gz RDYHUCPHYFADHE-UKRRQHHQSA-N 1 3 328.485 2.510 20 0 EFADHO C[C@@H]1C[C@@H](n2c(=N)sc3c2CCNC3)C[N@H+]1Cc1ccccc1 ZINC001171764138 1285772431 /nfs/dbraw/zinc/77/24/31/1285772431.db2.gz RDYHUCPHYFADHE-UKRRQHHQSA-N 1 3 328.485 2.510 20 0 EFADHO CC[C@@H](C(=O)NCCNCc1ccc(Cl)c(F)c1)[NH+](CC)CC ZINC001133684947 1285778884 /nfs/dbraw/zinc/77/88/84/1285778884.db2.gz NXGBIQGPIGSYKK-INIZCTEOSA-N 1 3 343.874 2.805 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838698 1285846074 /nfs/dbraw/zinc/84/60/74/1285846074.db2.gz ISWDSIDOPMIHKU-GJZGRUSLSA-N 1 3 325.497 2.835 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171838698 1285846081 /nfs/dbraw/zinc/84/60/81/1285846081.db2.gz ISWDSIDOPMIHKU-GJZGRUSLSA-N 1 3 325.497 2.835 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1CCCN(C(=O)c3ccccc3)CC1)CC2 ZINC001171904329 1285892259 /nfs/dbraw/zinc/89/22/59/1285892259.db2.gz VAHVUCBHFNWVCV-LJQANCHMSA-N 1 3 341.499 2.709 20 0 EFADHO C[C@@H](CN)C[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171988984 1285944637 /nfs/dbraw/zinc/94/46/37/1285944637.db2.gz PFHOVVQHZJEHJG-LBPRGKRZSA-N 1 3 326.282 2.602 20 0 EFADHO N[C@H]1CCC[N@@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171992281 1285945791 /nfs/dbraw/zinc/94/57/91/1285945791.db2.gz HCPDBVIZJZEQAI-AWEZNQCLSA-N 1 3 338.293 2.841 20 0 EFADHO N[C@H]1CCC[N@H+](C2CCN(c3ccc(Br)cc3)CC2)C1 ZINC001171992281 1285945796 /nfs/dbraw/zinc/94/57/96/1285945796.db2.gz HCPDBVIZJZEQAI-AWEZNQCLSA-N 1 3 338.293 2.841 20 0 EFADHO CC1(C)C[C@H](NC[C@@H]2CCCC(=O)N2)CC[N@@H+]1Cc1ccccc1 ZINC001171977624 1285959419 /nfs/dbraw/zinc/95/94/19/1285959419.db2.gz SIOSUAQMFHJTPZ-MSOLQXFVSA-N 1 3 329.488 2.688 20 0 EFADHO CC1(C)C[C@H](NC[C@@H]2CCCC(=O)N2)CC[N@H+]1Cc1ccccc1 ZINC001171977624 1285959428 /nfs/dbraw/zinc/95/94/28/1285959428.db2.gz SIOSUAQMFHJTPZ-MSOLQXFVSA-N 1 3 329.488 2.688 20 0 EFADHO CN(C)C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976172 1285960128 /nfs/dbraw/zinc/96/01/28/1285960128.db2.gz IVKYCBLAAQXQEV-VQTJNVASSA-N 1 3 345.531 2.692 20 0 EFADHO CN(C)C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CCO1 ZINC001171976172 1285960130 /nfs/dbraw/zinc/96/01/30/1285960130.db2.gz IVKYCBLAAQXQEV-VQTJNVASSA-N 1 3 345.531 2.692 20 0 EFADHO CCN1CC[C@@H](N2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1=O ZINC001172030689 1285980407 /nfs/dbraw/zinc/98/04/07/1285980407.db2.gz LUFLCMQGCRKJKW-MRXNPFEDSA-N 1 3 349.906 2.687 20 0 EFADHO NC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074117 1285992134 /nfs/dbraw/zinc/99/21/34/1285992134.db2.gz FQYPQJCYUMTLHE-YRPNKDGESA-N 1 3 341.499 2.912 20 0 EFADHO NC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074117 1285992144 /nfs/dbraw/zinc/99/21/44/1285992144.db2.gz FQYPQJCYUMTLHE-YRPNKDGESA-N 1 3 341.499 2.912 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172072794 1285992824 /nfs/dbraw/zinc/99/28/24/1285992824.db2.gz NBPHSFQLJQDWQQ-MXEMCNAFSA-N 1 3 341.499 2.783 20 0 EFADHO CC(=O)N1CC[C@@H](N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172072794 1285992830 /nfs/dbraw/zinc/99/28/30/1285992830.db2.gz NBPHSFQLJQDWQQ-MXEMCNAFSA-N 1 3 341.499 2.783 20 0 EFADHO NC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074114 1285993588 /nfs/dbraw/zinc/99/35/88/1285993588.db2.gz FQYPQJCYUMTLHE-NMLBUPMWSA-N 1 3 341.499 2.912 20 0 EFADHO NC(=O)[C@@H]1CCCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074114 1285993594 /nfs/dbraw/zinc/99/35/94/1285993594.db2.gz FQYPQJCYUMTLHE-NMLBUPMWSA-N 1 3 341.499 2.912 20 0 EFADHO CNC(=O)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172074700 1285994257 /nfs/dbraw/zinc/99/42/57/1285994257.db2.gz KPLAHQJFBDMAFS-REPLKXPHSA-N 1 3 329.488 2.640 20 0 EFADHO CNC(=O)CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074700 1285994263 /nfs/dbraw/zinc/99/42/63/1285994263.db2.gz KPLAHQJFBDMAFS-REPLKXPHSA-N 1 3 329.488 2.640 20 0 EFADHO O=C1CCC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)N1 ZINC001172080420 1285999221 /nfs/dbraw/zinc/99/92/21/1285999221.db2.gz VULYNXHVNPXTSG-HAGHYFMRSA-N 1 3 341.499 2.830 20 0 EFADHO O=C1CCC[C@@H](CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)N1 ZINC001172080420 1285999230 /nfs/dbraw/zinc/99/92/30/1285999230.db2.gz VULYNXHVNPXTSG-HAGHYFMRSA-N 1 3 341.499 2.830 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)C2 ZINC001172100502 1286006375 /nfs/dbraw/zinc/00/63/75/1286006375.db2.gz CWFANJNGHBKJCW-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(CN3CCOCC3)c1)C2 ZINC001172100502 1286006380 /nfs/dbraw/zinc/00/63/80/1286006380.db2.gz CWFANJNGHBKJCW-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCc1cccc(CN3CCOCC3)c1)C2 ZINC001172100502 1286006387 /nfs/dbraw/zinc/00/63/87/1286006387.db2.gz CWFANJNGHBKJCW-WKCHPHFGSA-N 1 3 343.515 2.624 20 0 EFADHO O=C1OCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066787 1286007560 /nfs/dbraw/zinc/00/75/60/1286007560.db2.gz FLFFKBNTLRTLOC-LDLYASANSA-N 1 3 343.471 2.614 20 0 EFADHO O=C1OCCN1CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172066787 1286007564 /nfs/dbraw/zinc/00/75/64/1286007564.db2.gz FLFFKBNTLRTLOC-LDLYASANSA-N 1 3 343.471 2.614 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172126224 1286010195 /nfs/dbraw/zinc/01/01/95/1286010195.db2.gz UYPQNYXCUPESIZ-BWTSREIZSA-N 1 3 328.456 2.847 20 0 EFADHO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172126224 1286010199 /nfs/dbraw/zinc/01/01/99/1286010199.db2.gz UYPQNYXCUPESIZ-BWTSREIZSA-N 1 3 328.456 2.847 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(C)(CNC(=O)OC(C)(C)C)C1)C2 ZINC001172127802 1286011399 /nfs/dbraw/zinc/01/13/99/1286011399.db2.gz KPYYKEVVEDOZNM-MUJYYYPQSA-N 1 3 337.508 2.848 20 0 EFADHO Cc1cc(C)cc(C[NH2+]CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c1 ZINC001133851015 1286012760 /nfs/dbraw/zinc/01/27/60/1286012760.db2.gz UXCSXLWPTFOQKL-HXUWFJFHSA-N 1 3 349.494 2.722 20 0 EFADHO CCc1ccccc1C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133851244 1286012956 /nfs/dbraw/zinc/01/29/56/1286012956.db2.gz ZUPYEUHNNGTERU-HXUWFJFHSA-N 1 3 349.494 2.667 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(OC3CCOCC3)nc1)C2 ZINC001172104960 1286021036 /nfs/dbraw/zinc/02/10/36/1286021036.db2.gz GVYUSDVCDOWBCL-BCDXTJNWSA-N 1 3 345.487 2.744 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1nc(-c3ccccc3)no1)C2 ZINC001172103514 1286021330 /nfs/dbraw/zinc/02/13/30/1286021330.db2.gz VSYLHSXHDVEHSE-OSYLJGHBSA-N 1 3 326.444 2.884 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NCCc1nc(-c3ccccc3)no1)C2 ZINC001172103514 1286021336 /nfs/dbraw/zinc/02/13/36/1286021336.db2.gz VSYLHSXHDVEHSE-OSYLJGHBSA-N 1 3 326.444 2.884 20 0 EFADHO COC(=O)C[C@H]([NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C)c1cccc(OC)c1 ZINC001172110007 1286023544 /nfs/dbraw/zinc/02/35/44/1286023544.db2.gz IEKLGSVSMCIEEV-ZMMAXQRCSA-N 1 3 346.471 2.904 20 0 EFADHO Cc1c(C)c(C)c(C[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)c(C)c1C ZINC001133845721 1286023651 /nfs/dbraw/zinc/02/36/51/1286023651.db2.gz MHLKDJNOMYWIPV-CQSZACIVSA-N 1 3 345.531 2.776 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CCCCC3=O)nc1)C2 ZINC001172115210 1286024880 /nfs/dbraw/zinc/02/48/80/1286024880.db2.gz SBJFCHNFQLZRSG-NNZMDNLPSA-N 1 3 342.487 2.703 20 0 EFADHO CC(C)c1ccc([C@@H](C)[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001133845971 1286025384 /nfs/dbraw/zinc/02/53/84/1286025384.db2.gz QWNXWBBIBKIFCH-IAGOWNOFSA-N 1 3 331.504 2.919 20 0 EFADHO CN(C)C[C@H](NC(=O)CCCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000813620230 1286028578 /nfs/dbraw/zinc/02/85/78/1286028578.db2.gz ZNVYVLYORGMHJK-SFHVURJKSA-N 1 3 335.467 2.811 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001172120856 1286030158 /nfs/dbraw/zinc/03/01/58/1286030158.db2.gz GKUYOOYJTKOJJG-PIIMJCKOSA-N 1 3 333.545 2.924 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCN(CCc3cccs3)CC1)C2 ZINC001172120856 1286030161 /nfs/dbraw/zinc/03/01/61/1286030161.db2.gz GKUYOOYJTKOJJG-PIIMJCKOSA-N 1 3 333.545 2.924 20 0 EFADHO CC1CCC(C[NH2+]CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001133856224 1286030860 /nfs/dbraw/zinc/03/08/60/1286030860.db2.gz AWUZDJBGTHRKCD-RJYAGPCLSA-N 1 3 341.515 2.731 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133849685 1286031174 /nfs/dbraw/zinc/03/11/74/1286031174.db2.gz BVEFIJFCNYIGQL-OXQOHEQNSA-N 1 3 349.494 2.974 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123585 1286032126 /nfs/dbraw/zinc/03/21/26/1286032126.db2.gz FDTXENGJBHERBE-RCLSDMTESA-N 1 3 325.500 2.917 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123585 1286032129 /nfs/dbraw/zinc/03/21/29/1286032129.db2.gz FDTXENGJBHERBE-RCLSDMTESA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123585 1286032133 /nfs/dbraw/zinc/03/21/33/1286032133.db2.gz FDTXENGJBHERBE-RCLSDMTESA-N 1 3 325.500 2.917 20 0 EFADHO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN3CCc4ccccc4[C@H]3C1)C2 ZINC001172123585 1286032137 /nfs/dbraw/zinc/03/21/37/1286032137.db2.gz FDTXENGJBHERBE-RCLSDMTESA-N 1 3 325.500 2.917 20 0 EFADHO C[N@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172182393 1286049634 /nfs/dbraw/zinc/04/96/34/1286049634.db2.gz GWZJNAKFMXXZKE-OALUTQOASA-N 1 3 333.520 2.869 20 0 EFADHO C[N@@H+](C1CCN(C2CCCCC2)CC1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172182393 1286049635 /nfs/dbraw/zinc/04/96/35/1286049635.db2.gz GWZJNAKFMXXZKE-OALUTQOASA-N 1 3 333.520 2.869 20 0 EFADHO CC(C)c1ccc(C[NH2+]CCNC(=O)CN2CCC(C)(C)C2)cc1 ZINC001133893665 1286071864 /nfs/dbraw/zinc/07/18/64/1286071864.db2.gz KRLAXPFRUNABPC-UHFFFAOYSA-N 1 3 331.504 2.748 20 0 EFADHO COCCCN1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC001172243499 1286075754 /nfs/dbraw/zinc/07/57/54/1286075754.db2.gz MVKCDCRQDJTOEK-UHFFFAOYSA-N 1 3 331.382 2.691 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001133896019 1286075872 /nfs/dbraw/zinc/07/58/72/1286075872.db2.gz ARPWTGISADMKOK-UHFFFAOYSA-N 1 3 339.430 2.562 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]Cc2cc3ccccc3s2)C1 ZINC001133896016 1286075989 /nfs/dbraw/zinc/07/59/89/1286075989.db2.gz APRZHPALDGYJJF-UHFFFAOYSA-N 1 3 345.512 2.839 20 0 EFADHO CC1(C)CCN(CC(=O)NCC[NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001133896664 1286077518 /nfs/dbraw/zinc/07/75/18/1286077518.db2.gz NIZMBASIMLOVOO-SFHVURJKSA-N 1 3 343.515 2.544 20 0 EFADHO Cc1ccc(CCC[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001133906494 1286089652 /nfs/dbraw/zinc/08/96/52/1286089652.db2.gz YRDSAVYGRUVDMB-UHFFFAOYSA-N 1 3 333.520 2.611 20 0 EFADHO CN(CC(=O)NCC[NH2+]CC[C@@H]1CCc2ccccc21)CC(C)(C)C ZINC001133908623 1286092478 /nfs/dbraw/zinc/09/24/78/1286092478.db2.gz ZMTLPKMDBAGXFZ-SFHVURJKSA-N 1 3 345.531 2.790 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)CN(C)CC(C)(C)C ZINC001133899697 1286099932 /nfs/dbraw/zinc/09/99/32/1286099932.db2.gz SMVSRIHYEYNGON-UHFFFAOYSA-N 1 3 339.911 2.832 20 0 EFADHO CC[C@@H](C)OCC[C@@H](C)N1CCN(CCC[NH+](CC)CC)CC1 ZINC001172352528 1286122297 /nfs/dbraw/zinc/12/22/97/1286122297.db2.gz ICNLHEXSRLZMJE-RTBURBONSA-N 1 3 327.557 2.930 20 0 EFADHO C[C@@H](CN)C[N@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524504 1286164795 /nfs/dbraw/zinc/16/47/95/1286164795.db2.gz YGKMBYJNDLDTTC-LEAZDLGRSA-N 1 3 343.515 2.844 20 0 EFADHO C[C@@H](CN)C[N@@H+](C)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172524504 1286164806 /nfs/dbraw/zinc/16/48/06/1286164806.db2.gz YGKMBYJNDLDTTC-LEAZDLGRSA-N 1 3 343.515 2.844 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)N(C)C ZINC001133965769 1286172282 /nfs/dbraw/zinc/17/22/82/1286172282.db2.gz JLMWEPYMBYVUOZ-WFASDCNBSA-N 1 3 345.409 2.812 20 0 EFADHO CC[C@@H](C(=O)NCC[NH2+]CC1CCC(C(C)(C)C)CC1)N(C)C ZINC001133965722 1286172511 /nfs/dbraw/zinc/17/25/11/1286172511.db2.gz HCNTTXJCKRCIBU-JCYILVPMSA-N 1 3 325.541 2.885 20 0 EFADHO CC1CCN(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172662878 1286223958 /nfs/dbraw/zinc/22/39/58/1286223958.db2.gz IVSUIZUKYUNYDQ-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CC1CC[NH+](CCCN[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172662878 1286223962 /nfs/dbraw/zinc/22/39/62/1286223962.db2.gz IVSUIZUKYUNYDQ-FQEVSTJZSA-N 1 3 343.515 2.889 20 0 EFADHO CN(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665206 1286237229 /nfs/dbraw/zinc/23/72/29/1286237229.db2.gz WKMADZGDRPBYKT-GBESFXJTSA-N 1 3 329.488 2.640 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172665206 1286237237 /nfs/dbraw/zinc/23/72/37/1286237237.db2.gz WKMADZGDRPBYKT-GBESFXJTSA-N 1 3 329.488 2.640 20 0 EFADHO CCCC[N@H+](C)CCCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172666799 1286238699 /nfs/dbraw/zinc/23/86/99/1286238699.db2.gz ZHDYKBWONCULOJ-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCCC[N@@H+](C)CCCN[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172666799 1286238701 /nfs/dbraw/zinc/23/87/01/1286238701.db2.gz ZHDYKBWONCULOJ-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CN1CC[C@@H]2C[N@@H+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172814412 1286288042 /nfs/dbraw/zinc/28/80/42/1286288042.db2.gz ZEGOSODOLSLEHJ-WXCOAYGQSA-N 1 3 347.503 2.576 20 0 EFADHO CN1CC[C@@H]2C[N@H+](C3C[C@@H]4C=C[C@H](C3)N4C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001172814412 1286288052 /nfs/dbraw/zinc/28/80/52/1286288052.db2.gz ZEGOSODOLSLEHJ-WXCOAYGQSA-N 1 3 347.503 2.576 20 0 EFADHO COC(=O)CCN(CCC[NH+](C)C)[C@H]1CCc2ccc(C)cc2C1 ZINC001172831704 1286291769 /nfs/dbraw/zinc/29/17/69/1286291769.db2.gz PXDUDQRZEWLPFB-IBGZPJMESA-N 1 3 332.488 2.669 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCC[C@@H](OC)C1)C2 ZINC001172939597 1286343193 /nfs/dbraw/zinc/34/31/93/1286343193.db2.gz ROVPEMWNROXZFI-VNTMZGSJSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCC[C@@H](OC)C1)C2 ZINC001172939597 1286343199 /nfs/dbraw/zinc/34/31/99/1286343199.db2.gz ROVPEMWNROXZFI-VNTMZGSJSA-N 1 3 336.520 2.624 20 0 EFADHO CCCN1C[C@@H]2C[NH+]([C@H](C)CCN(C)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001172971435 1286360706 /nfs/dbraw/zinc/36/07/06/1286360706.db2.gz NTHSFKDGOXSTMW-BRWVUGGUSA-N 1 3 339.524 2.906 20 0 EFADHO CC[NH+](CC)C1CCC(N[C@@H](CC(=O)OC)c2ccccn2)CC1 ZINC001173107439 1286414015 /nfs/dbraw/zinc/41/40/15/1286414015.db2.gz RLEYIIPLTZMIJI-HTWSVDAQSA-N 1 3 333.476 2.928 20 0 EFADHO CC[NH+](CC)C1CCC(N2CCN(c3ncc(C)cn3)CC2)CC1 ZINC001173114181 1286416456 /nfs/dbraw/zinc/41/64/56/1286416456.db2.gz YTHXCLLGZWPVFJ-UHFFFAOYSA-N 1 3 331.508 2.560 20 0 EFADHO c1nc2c(s1)C[C@H]([NH2+]CC1CCN(Cc3ccccn3)CC1)CC2 ZINC001173131515 1286418331 /nfs/dbraw/zinc/41/83/31/1286418331.db2.gz LLEUDDJTHHOQLE-MRXNPFEDSA-N 1 3 342.512 2.897 20 0 EFADHO c1nc2c(s1)C[C@@H]([NH2+]CC1CCN(Cc3ccncc3)CC1)CC2 ZINC001173131462 1286418463 /nfs/dbraw/zinc/41/84/63/1286418463.db2.gz LAGPNLYNCBCDNM-KRWDZBQOSA-N 1 3 342.512 2.897 20 0 EFADHO CCc1ccc(C[C@H](C)N2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001173243185 1286487569 /nfs/dbraw/zinc/48/75/69/1286487569.db2.gz MLDTUQKLSPXMCM-IBGZPJMESA-N 1 3 329.532 2.893 20 0 EFADHO Fc1cc2c(cc1F)CC([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001173477775 1286594322 /nfs/dbraw/zinc/59/43/22/1286594322.db2.gz WIXHAPFFGSSJPD-JCNLHEQBSA-N 1 3 336.426 2.665 20 0 EFADHO COC(=O)CCCC[C@H](C)[NH2+]C1CCN(CC2CCOCC2)CC1 ZINC001173444321 1286598824 /nfs/dbraw/zinc/59/88/24/1286598824.db2.gz HQALFJKJHXOOHX-INIZCTEOSA-N 1 3 340.508 2.589 20 0 EFADHO CCN([C@H]1CCOC1)C1CC[NH+]([C@H](C)CCCCC(=O)OC)CC1 ZINC001173458828 1286613249 /nfs/dbraw/zinc/61/32/49/1286613249.db2.gz ZOQSOMANXFZMDF-AEFFLSMTSA-N 1 3 340.508 2.684 20 0 EFADHO COc1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC001204122150 1286665227 /nfs/dbraw/zinc/66/52/27/1286665227.db2.gz RDHPPTFNMHQSEA-UHFFFAOYSA-N 1 3 348.487 2.963 20 0 EFADHO CCOC(=O)[C@@H]1CC12CCC([NH+]1CCN(c3ccncc3)CC1)CC2 ZINC001173605543 1286713101 /nfs/dbraw/zinc/71/31/01/1286713101.db2.gz CQKKYRCVEKCBPQ-IPCDKGFNSA-N 1 3 343.471 2.716 20 0 EFADHO CCOC(=O)[C@H]1CC12CCC([NH+]1CC3(C1)CCN(CC1CC1)C3)CC2 ZINC001173612271 1286715843 /nfs/dbraw/zinc/71/58/43/1286715843.db2.gz RQPULZDKQXJPTO-IDYZSHNDSA-N 1 3 346.515 2.916 20 0 EFADHO Cc1cc(N2CCN(C3CCN(CC(F)(F)F)CC3)CC2)cc[nH+]1 ZINC001173671497 1286746287 /nfs/dbraw/zinc/74/62/87/1286746287.db2.gz GSCWDDCZFTYVBG-UHFFFAOYSA-N 1 3 342.409 2.539 20 0 EFADHO c1nnn([C@@H]2CCC[C@H]([NH2+]C3CCN(CC4CCCCC4)CC3)C2)n1 ZINC001173747596 1286774897 /nfs/dbraw/zinc/77/48/97/1286774897.db2.gz CFNRUIUISBKANZ-RBUKOAKNSA-N 1 3 346.523 2.791 20 0 EFADHO C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000822797959 1289108125 /nfs/dbraw/zinc/10/81/25/1289108125.db2.gz OIFZHJHAFZVDIW-QLFBSQMISA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000822797959 1289108131 /nfs/dbraw/zinc/10/81/31/1289108131.db2.gz OIFZHJHAFZVDIW-QLFBSQMISA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000822797959 1289108135 /nfs/dbraw/zinc/10/81/35/1289108135.db2.gz OIFZHJHAFZVDIW-QLFBSQMISA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000822797960 1289108485 /nfs/dbraw/zinc/10/84/85/1289108485.db2.gz OIFZHJHAFZVDIW-RBSFLKMASA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000822797960 1289108489 /nfs/dbraw/zinc/10/84/89/1289108489.db2.gz OIFZHJHAFZVDIW-RBSFLKMASA-N 1 3 334.335 2.528 20 0 EFADHO C[C@@H]1C[N@@H+](CC[C@@H]2CC2(Cl)Cl)CC[C@H]1N1CCN(C)CC1 ZINC000822797960 1289108492 /nfs/dbraw/zinc/10/84/92/1289108492.db2.gz OIFZHJHAFZVDIW-RBSFLKMASA-N 1 3 334.335 2.528 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1F ZINC001134584502 1286918568 /nfs/dbraw/zinc/91/85/68/1286918568.db2.gz URISDKMFJVPDMC-CVEARBPZSA-N 1 3 349.494 2.991 20 0 EFADHO C[C@@H](C[C@H](C)[NH2+]CCc1cccs1)NC(=O)C1(N(C)C)CCC1 ZINC001134584177 1286918707 /nfs/dbraw/zinc/91/87/07/1286918707.db2.gz RKIKJLOMTVHWMA-GJZGRUSLSA-N 1 3 337.533 2.648 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001134611717 1286948077 /nfs/dbraw/zinc/94/80/77/1286948077.db2.gz AOFLSINTONSEAH-SJORKVTESA-N 1 3 331.504 2.852 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)cc1)NC(=O)CN(C)C1CCC1 ZINC001134607488 1286967845 /nfs/dbraw/zinc/96/78/45/1286967845.db2.gz IDEJIEPSOXVUKR-LSDHHAIUSA-N 1 3 335.467 2.683 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+]CCCc1ccccc1Cl ZINC001174682784 1287111966 /nfs/dbraw/zinc/11/19/66/1287111966.db2.gz NETJDLOUWQUYRA-UHFFFAOYSA-N 1 3 348.878 2.643 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001174683230 1287112017 /nfs/dbraw/zinc/11/20/17/1287112017.db2.gz RDEOWUNBIYJKEJ-MRXNPFEDSA-N 1 3 346.862 2.697 20 0 EFADHO CO[C@@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)N1CCCCC1 ZINC001170769195 1287119769 /nfs/dbraw/zinc/11/97/69/1287119769.db2.gz FNXPPCIIBGZYKI-SJORKVTESA-N 1 3 341.540 2.550 20 0 EFADHO C[C@@H](C(=O)NCCNCc1cc2ccccc2o1)[NH+]1CCCCCC1 ZINC001134749910 1287144291 /nfs/dbraw/zinc/14/42/91/1287144291.db2.gz GEMOKHLEMBVBSG-INIZCTEOSA-N 1 3 343.471 2.903 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001134762733 1287159047 /nfs/dbraw/zinc/15/90/47/1287159047.db2.gz DWAFZVIHRADNJL-CQSZACIVSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001134762733 1287159054 /nfs/dbraw/zinc/15/90/54/1287159054.db2.gz DWAFZVIHRADNJL-CQSZACIVSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001134762732 1287159989 /nfs/dbraw/zinc/15/99/89/1287159989.db2.gz DWAFZVIHRADNJL-AWEZNQCLSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCNCc1ccc(Cl)s1 ZINC001134762732 1287159986 /nfs/dbraw/zinc/15/99/86/1287159986.db2.gz DWAFZVIHRADNJL-AWEZNQCLSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001134763068 1287160166 /nfs/dbraw/zinc/16/01/66/1287160166.db2.gz KOYZZIVDXLJWTG-HXUWFJFHSA-N 1 3 343.515 2.644 20 0 EFADHO CCc1ccc(CC[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001134767353 1287163656 /nfs/dbraw/zinc/16/36/56/1287163656.db2.gz WOZVJLKATKVKEA-FQEVSTJZSA-N 1 3 345.531 2.760 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001134769326 1287166422 /nfs/dbraw/zinc/16/64/22/1287166422.db2.gz KMFPWMCZRUTVLP-CRAIPNDOSA-N 1 3 335.467 2.855 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCc1cccs1 ZINC001134773481 1287170990 /nfs/dbraw/zinc/17/09/90/1287170990.db2.gz PMSFFNNYOWNEJI-CABCVRRESA-N 1 3 339.549 2.894 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCOCCC(C)C ZINC001134774419 1287172801 /nfs/dbraw/zinc/17/28/01/1287172801.db2.gz YFVBPHQOIUNMQX-DLBZAZTESA-N 1 3 343.556 2.652 20 0 EFADHO CCc1ccccc1C[NH2+]CC1(CCNC(=O)[C@@H](CC)N(C)C)CC1 ZINC001165727486 1312671084 /nfs/dbraw/zinc/67/10/84/1312671084.db2.gz BCQDADWREIAWON-LJQANCHMSA-N 1 3 345.531 2.965 20 0 EFADHO C[C@H]1[C@@H](NCc2cc3ccccc3o2)CCN1C(=O)CCC[NH+](C)C ZINC001179435781 1289139854 /nfs/dbraw/zinc/13/98/54/1289139854.db2.gz WVALOCHYGMLTIR-YJBOKZPZSA-N 1 3 343.471 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1nc(C)cs1 ZINC001176277375 1287920284 /nfs/dbraw/zinc/92/02/84/1287920284.db2.gz DGADHJFAXVZFSR-AWEZNQCLSA-N 1 3 340.537 2.558 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]CCc1cccs1 ZINC001176286521 1287924798 /nfs/dbraw/zinc/92/47/98/1287924798.db2.gz WVVHOTRXDRWUCO-MRXNPFEDSA-N 1 3 339.549 2.897 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)CCCC[NH2+]C/C(Cl)=C\Cl ZINC001176286477 1287924872 /nfs/dbraw/zinc/92/48/72/1287924872.db2.gz WMPIDWVZISJUOT-PCRWRXJSSA-N 1 3 338.323 2.912 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409849 1289143135 /nfs/dbraw/zinc/14/31/35/1289143135.db2.gz RJEPQIPEBNMISI-XUXIUFHCSA-N 1 3 348.318 2.615 20 0 EFADHO C[C@H]1[C@@H](NCC=C(Cl)Cl)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179409849 1289143138 /nfs/dbraw/zinc/14/31/38/1289143138.db2.gz RJEPQIPEBNMISI-XUXIUFHCSA-N 1 3 348.318 2.615 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCCC[NH2+]CCCCCF ZINC001176352008 1287962045 /nfs/dbraw/zinc/96/20/45/1287962045.db2.gz YQKKDMVKHZAXMX-CQSZACIVSA-N 1 3 326.460 2.665 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCCC[NH2+]CC1CC(F)(F)C1 ZINC001176352078 1287962315 /nfs/dbraw/zinc/96/23/15/1287962315.db2.gz ZNRGMZMUIRDHGG-LBPRGKRZSA-N 1 3 342.434 2.571 20 0 EFADHO CCCCCCN(C)CC(=O)NCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001135440223 1288023063 /nfs/dbraw/zinc/02/30/63/1288023063.db2.gz IGOKJYLXCMXYBR-KRWDZBQOSA-N 1 3 349.519 2.974 20 0 EFADHO CC(C)OCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481571 1288036656 /nfs/dbraw/zinc/03/66/56/1288036656.db2.gz VNQFFUKMDNZRCS-IAGOWNOFSA-N 1 3 343.556 2.652 20 0 EFADHO CC(C)OCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001135481570 1288037124 /nfs/dbraw/zinc/03/71/24/1288037124.db2.gz VNQFFUKMDNZRCS-DLBZAZTESA-N 1 3 343.556 2.652 20 0 EFADHO C[C@H](C[C@H](C)[NH2+]CCCCCF)NC(=O)CN1CCC(C)(C)C1 ZINC001135475886 1288047263 /nfs/dbraw/zinc/04/72/63/1288047263.db2.gz GNWMZVDZVQXXMX-JKSUJKDBSA-N 1 3 329.504 2.731 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001135523258 1288060125 /nfs/dbraw/zinc/06/01/25/1288060125.db2.gz DGFQMNIOJHDFSF-MRXNPFEDSA-N 1 3 327.472 2.948 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001135523213 1288060963 /nfs/dbraw/zinc/06/09/63/1288060963.db2.gz BJDGSJQOYLFSDU-INIZCTEOSA-N 1 3 327.472 2.948 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001135511187 1288067141 /nfs/dbraw/zinc/06/71/41/1288067141.db2.gz KPBNWMCOVDILLW-UHFFFAOYSA-N 1 3 333.520 2.776 20 0 EFADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001135513274 1288069773 /nfs/dbraw/zinc/06/97/73/1288069773.db2.gz KLSOFXLOVBGUKE-CYBMUJFWSA-N 1 3 345.409 2.814 20 0 EFADHO CC[C@H]([NH2+]CCNC(=O)CN(CC)CC)c1ccc(Cl)cc1 ZINC001135513239 1288069844 /nfs/dbraw/zinc/06/98/44/1288069844.db2.gz ISRITDBIKXKLRB-INIZCTEOSA-N 1 3 325.884 2.839 20 0 EFADHO COC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739806 1288089763 /nfs/dbraw/zinc/08/97/63/1288089763.db2.gz ZRPLIDHSYXJBNN-DLBZAZTESA-N 1 3 349.519 2.661 20 0 EFADHO CO[C@H](C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cccc(CN(C)C)c1 ZINC001176739193 1288089787 /nfs/dbraw/zinc/08/97/87/1288089787.db2.gz VFNBNTAEPULCBU-IAGOWNOFSA-N 1 3 349.519 2.661 20 0 EFADHO Cc1cnc(C[NH2+]CCCC[C@@H](C)NC(=O)CN(C)C(C)C)s1 ZINC001176753587 1288119231 /nfs/dbraw/zinc/11/92/31/1288119231.db2.gz IJXQEKCDBUCWJM-CQSZACIVSA-N 1 3 340.537 2.556 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H](C)CCCC[NH2+]Cc1ccsc1 ZINC001176754007 1288120775 /nfs/dbraw/zinc/12/07/75/1288120775.db2.gz PQVHMZRHSACUOJ-HNNXBMFYSA-N 1 3 325.522 2.853 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOC(C)C ZINC001176758889 1288121713 /nfs/dbraw/zinc/12/17/13/1288121713.db2.gz GPRWSLRTGHWGMG-QZTJIDSGSA-N 1 3 341.540 2.550 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]Cc1ccccn1 ZINC001176760259 1288122442 /nfs/dbraw/zinc/12/24/42/1288122442.db2.gz SBMGVCBVSRIIII-MJGOQNOKSA-N 1 3 346.519 2.721 20 0 EFADHO CCOCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCCN1CC ZINC001176760162 1288122685 /nfs/dbraw/zinc/12/26/85/1288122685.db2.gz QQQCTPQURBASNR-ROUUACIJSA-N 1 3 341.540 2.552 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)NCCCNC/C(Cl)=C\Cl)c1 ZINC001176889949 1288164049 /nfs/dbraw/zinc/16/40/49/1288164049.db2.gz IYFMRYHMMIYMKR-XNTDXEJSSA-N 1 3 344.286 2.777 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2F)c1 ZINC001176890338 1288164150 /nfs/dbraw/zinc/16/41/50/1288164150.db2.gz QYZFOWBPHYRHPL-UHFFFAOYSA-N 1 3 343.446 2.797 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482831 1289160362 /nfs/dbraw/zinc/16/03/62/1289160362.db2.gz XEFNPOJEAXRECS-YOEHRIQHSA-N 1 3 337.895 2.679 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001176971544 1288199454 /nfs/dbraw/zinc/19/94/54/1288199454.db2.gz CGSMDCNPSJLZJR-UHFFFAOYSA-N 1 3 333.520 2.920 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1cc2ccccc2s1 ZINC001176972292 1288201228 /nfs/dbraw/zinc/20/12/28/1288201228.db2.gz VBENYLSKAPWYBB-UHFFFAOYSA-N 1 3 333.501 2.837 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001176972237 1288201580 /nfs/dbraw/zinc/20/15/80/1288201580.db2.gz RWQJIGFOZJXHPD-AWEZNQCLSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001176972238 1288201663 /nfs/dbraw/zinc/20/16/63/1288201663.db2.gz RWQJIGFOZJXHPD-CQSZACIVSA-N 1 3 325.884 2.837 20 0 EFADHO CC(C)N(C)CC(=O)NCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001176972042 1288201865 /nfs/dbraw/zinc/20/18/65/1288201865.db2.gz LSTGMVDQVFJNIF-UHFFFAOYSA-N 1 3 331.504 2.890 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]CCCNC(=O)CN(C)C(C)C)cc1 ZINC001176975247 1288203096 /nfs/dbraw/zinc/20/30/96/1288203096.db2.gz NNBATPYEYHJHAR-UHFFFAOYSA-N 1 3 333.520 2.821 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1sccc1Cl ZINC001176986917 1288208444 /nfs/dbraw/zinc/20/84/44/1288208444.db2.gz YKHGPZRUKZFAAN-AWEZNQCLSA-N 1 3 343.924 2.872 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(Cl)s1 ZINC001176986489 1288207885 /nfs/dbraw/zinc/20/78/85/1288207885.db2.gz PRGUYVWUYRFKSG-AWEZNQCLSA-N 1 3 343.924 2.872 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc2ccccc2o1 ZINC001176986234 1288208363 /nfs/dbraw/zinc/20/83/63/1288208363.db2.gz IMELDGVWCNEALR-SFHVURJKSA-N 1 3 343.471 2.903 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C/C=C/c1ccccc1 ZINC001176986887 1288208416 /nfs/dbraw/zinc/20/84/16/1288208416.db2.gz XOGWMHSJHSBABG-YRVHBARZSA-N 1 3 329.488 2.670 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1C ZINC001176991790 1288216450 /nfs/dbraw/zinc/21/64/50/1288216450.db2.gz DRXZHIAFNWRHGN-LJQANCHMSA-N 1 3 331.504 2.774 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ccc1F ZINC001176992046 1288216652 /nfs/dbraw/zinc/21/66/52/1288216652.db2.gz HVEQGVAANLRVDB-SFHVURJKSA-N 1 3 335.467 2.604 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccccc1 ZINC001176991792 1288217075 /nfs/dbraw/zinc/21/70/75/1288217075.db2.gz DUSVYFHBSAXJGN-IBGZPJMESA-N 1 3 331.504 2.590 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001176992309 1288217860 /nfs/dbraw/zinc/21/78/60/1288217860.db2.gz LUNVPXGETYNTBC-LPHOPBHVSA-N 1 3 347.503 2.727 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1F ZINC001176992778 1288218055 /nfs/dbraw/zinc/21/80/55/1288218055.db2.gz ZSVRACRXHHRTHJ-QAPCUYQASA-N 1 3 335.467 2.857 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001176992297 1288218696 /nfs/dbraw/zinc/21/86/96/1288218696.db2.gz LKVMXCUWFMTBKE-HXUWFJFHSA-N 1 3 345.531 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCCc1ccccc1C ZINC001176992296 1288218801 /nfs/dbraw/zinc/21/88/01/1288218801.db2.gz LKVMXCUWFMTBKE-FQEVSTJZSA-N 1 3 345.531 2.898 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccccn1 ZINC001135691468 1288268203 /nfs/dbraw/zinc/26/82/03/1288268203.db2.gz UZZPWJSICSYJLG-ROUUACIJSA-N 1 3 348.535 2.967 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001135706584 1288290859 /nfs/dbraw/zinc/29/08/59/1288290859.db2.gz WTGKKBVFUHQYAI-HOTGVXAUSA-N 1 3 344.503 2.883 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC001135706672 1288291211 /nfs/dbraw/zinc/29/12/11/1288291211.db2.gz ZEDSMCSTLDXHFG-IAGOWNOFSA-N 1 3 349.519 2.718 20 0 EFADHO CCc1cccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(CC)CC)c1 ZINC001135743184 1288323670 /nfs/dbraw/zinc/32/36/70/1288323670.db2.gz GJFPIIJPLOZISC-IAGOWNOFSA-N 1 3 333.520 2.964 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC001135743201 1288324428 /nfs/dbraw/zinc/32/44/28/1288324428.db2.gz GPTCPGBLYPFLEZ-UONOGXRCSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C(C)C)n1 ZINC001135743206 1288324493 /nfs/dbraw/zinc/32/44/93/1288324493.db2.gz GQJLDSIJFVTKSL-SJORKVTESA-N 1 3 348.535 2.920 20 0 EFADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001135743960 1288324841 /nfs/dbraw/zinc/32/48/41/1288324841.db2.gz SMQCRVOBARZGHI-KGLIPLIRSA-N 1 3 341.446 2.680 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC001135744254 1288325063 /nfs/dbraw/zinc/32/50/63/1288325063.db2.gz YFCDKJAVWUQZAH-ZIAGYGMSSA-N 1 3 341.446 2.680 20 0 EFADHO CN(CC(=O)NCCCCCC[NH2+]C/C=C/Cl)CC(C)(C)C ZINC001179592465 1289193355 /nfs/dbraw/zinc/19/33/55/1289193355.db2.gz CCYUPCOUTYHSQI-MDZDMXLPSA-N 1 3 331.932 2.983 20 0 EFADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001135747772 1288328567 /nfs/dbraw/zinc/32/85/67/1288328567.db2.gz UWGNWXZTPFJYHT-JKSUJKDBSA-N 1 3 339.549 2.895 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1cnc(C)s1)N(C)C ZINC001179609292 1289198058 /nfs/dbraw/zinc/19/80/58/1289198058.db2.gz MYXYXEWLCODVSK-INIZCTEOSA-N 1 3 340.537 2.558 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177331092 1288395017 /nfs/dbraw/zinc/39/50/17/1288395017.db2.gz XEWLPAFNMNIVKT-KRWDZBQOSA-N 1 3 347.494 2.634 20 0 EFADHO CN(C)[C@@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)C1CC1 ZINC001177340039 1288398628 /nfs/dbraw/zinc/39/86/28/1288398628.db2.gz YDOCDSGOJLRHKR-GOSISDBHSA-N 1 3 341.515 2.685 20 0 EFADHO CC[C@H](C(=O)NCCC1(C[NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001165727645 1312671514 /nfs/dbraw/zinc/67/15/14/1312671514.db2.gz FMZILBSVQPZPBT-UFUQCMIWSA-N 1 3 343.515 2.916 20 0 EFADHO CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H](C(C)C)N(C)C ZINC001177409489 1288421731 /nfs/dbraw/zinc/42/17/31/1288421731.db2.gz WIKUETADFHVFMV-GOSISDBHSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)N(CCC[NH2+]CCCF)CC1CCCC1)N(C)C ZINC001177415617 1288423459 /nfs/dbraw/zinc/42/34/59/1288423459.db2.gz FZJWTEPPULFNKK-KRWDZBQOSA-N 1 3 329.504 2.685 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N(CCC[NH2+]CCCF)CC1CCCC1 ZINC001177416261 1288424322 /nfs/dbraw/zinc/42/43/22/1288424322.db2.gz YCYOWFVIFZPACB-QGZVFWFLSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@H](F)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cc1c[nH]cn1 ZINC001177431091 1288437540 /nfs/dbraw/zinc/43/75/40/1288437540.db2.gz JIJUDQBNPKNWCL-HNNXBMFYSA-N 1 3 338.471 2.699 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177485249 1288445173 /nfs/dbraw/zinc/44/51/73/1288445173.db2.gz UHNIXNDGFGHNAE-IAGOWNOFSA-N 1 3 341.515 2.827 20 0 EFADHO C[C@H]1CC[C@H](C)N1CC(=O)N(CCC[NH2+]CCF)CC1CCCC1 ZINC001177485250 1288445449 /nfs/dbraw/zinc/44/54/49/1288445449.db2.gz UHNIXNDGFGHNAE-IRXDYDNUSA-N 1 3 341.515 2.827 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3C)CC2)CC1 ZINC000817285750 1288504385 /nfs/dbraw/zinc/50/43/85/1288504385.db2.gz CAADKEMRTYMJDE-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOc3ccccc3C)CC2)CC1 ZINC000817285750 1288504390 /nfs/dbraw/zinc/50/43/90/1288504390.db2.gz CAADKEMRTYMJDE-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CCN1CCC([N@@H+]2CCCN(CCOc3ccc(C)cc3)CC2)CC1 ZINC000817287646 1288505007 /nfs/dbraw/zinc/50/50/07/1288505007.db2.gz OSSBUHIFUZTLCS-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CCN1CCC([N@H+]2CCCN(CCOc3ccc(C)cc3)CC2)CC1 ZINC000817287646 1288505010 /nfs/dbraw/zinc/50/50/10/1288505010.db2.gz OSSBUHIFUZTLCS-UHFFFAOYSA-N 1 3 345.531 2.866 20 0 EFADHO CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)N2CCCC2)C12CCC2 ZINC001203257572 1288505679 /nfs/dbraw/zinc/50/56/79/1288505679.db2.gz NCHTWADDQODDQG-DLBZAZTESA-N 1 3 335.536 2.924 20 0 EFADHO Cc1cnc(CN[C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C)s1 ZINC001135966177 1288689664 /nfs/dbraw/zinc/68/96/64/1288689664.db2.gz KGJZTVGIHHMYNY-KGLIPLIRSA-N 1 3 340.537 2.556 20 0 EFADHO Cc1csc(CN[C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C)n1 ZINC001135961277 1288702327 /nfs/dbraw/zinc/70/23/27/1288702327.db2.gz OBPDCWKVFFINBD-UONOGXRCSA-N 1 3 340.537 2.556 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCOc1ccccc1C ZINC001135979143 1288704221 /nfs/dbraw/zinc/70/42/21/1288704221.db2.gz COAFUTLYOARIGV-ROUUACIJSA-N 1 3 349.519 2.589 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC001135979341 1288704286 /nfs/dbraw/zinc/70/42/86/1288704286.db2.gz FUFIDVUSFQTOOK-CVEARBPZSA-N 1 3 337.483 2.849 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001135980600 1288705281 /nfs/dbraw/zinc/70/52/81/1288705281.db2.gz QHYJYXFTLQEKJC-UONOGXRCSA-N 1 3 325.522 2.771 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001135981074 1288706918 /nfs/dbraw/zinc/70/69/18/1288706918.db2.gz XGPBWXFKYMNVJE-KBPBESRZSA-N 1 3 339.446 2.934 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001135981115 1288706939 /nfs/dbraw/zinc/70/69/39/1288706939.db2.gz YDKRZMRKNFFKOL-QZTJIDSGSA-N 1 3 333.520 2.834 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001016250042 1312680496 /nfs/dbraw/zinc/68/04/96/1312680496.db2.gz MEDLUBVATPUNJQ-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001016250042 1312680500 /nfs/dbraw/zinc/68/05/00/1312680500.db2.gz MEDLUBVATPUNJQ-PMACEKPBSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]CCCCCF)C1CC1 ZINC001178698367 1288875962 /nfs/dbraw/zinc/87/59/62/1288875962.db2.gz FKLKFRLOJLSXHV-KRWDZBQOSA-N 1 3 329.504 2.733 20 0 EFADHO CN(C)[C@H](C(=O)NCCCCCC[NH2+]Cc1ccccc1F)C1CC1 ZINC001178698163 1288875994 /nfs/dbraw/zinc/87/59/94/1288875994.db2.gz AFGSJPNFMLCDBQ-IBGZPJMESA-N 1 3 349.494 2.932 20 0 EFADHO Cc1cccnc1C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)N(C)C ZINC001178759733 1288894963 /nfs/dbraw/zinc/89/49/63/1288894963.db2.gz OJSLWAGXQMQWIB-IBGZPJMESA-N 1 3 348.535 2.742 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC001178853192 1288943020 /nfs/dbraw/zinc/94/30/20/1288943020.db2.gz DFVJODQTZUFTOU-IRXDYDNUSA-N 1 3 341.540 2.550 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cncs1 ZINC001178853072 1288943106 /nfs/dbraw/zinc/94/31/06/1288943106.db2.gz BEMSLEPEHQVREX-UHFFFAOYSA-N 1 3 340.537 2.640 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]CC[C@@H]1CCCO1 ZINC001178853108 1288943317 /nfs/dbraw/zinc/94/33/17/1288943317.db2.gz BQXNSHQZLQAZHE-KRWDZBQOSA-N 1 3 341.540 2.552 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCCCCC[NH2+]Cc1cccnc1 ZINC001178853438 1288944011 /nfs/dbraw/zinc/94/40/11/1288944011.db2.gz JQJAXJULKKAUMV-UHFFFAOYSA-N 1 3 334.508 2.578 20 0 EFADHO CC[C@H](C(=O)NCCCCCC[NH2+]Cc1nc(C)cs1)N(C)C ZINC001178815362 1288944914 /nfs/dbraw/zinc/94/49/14/1288944914.db2.gz ALSZMYLIIQVHLQ-OAHLLOKOSA-N 1 3 340.537 2.558 20 0 EFADHO CCN(C)C(C)(C)C(=O)NCCC1(C[NH2+]Cc2cccc(F)c2)CC1 ZINC001165809509 1312685441 /nfs/dbraw/zinc/68/54/41/1312685441.db2.gz IIKWYHCTKWQWQD-UHFFFAOYSA-N 1 3 349.494 2.932 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)cn2)CC1 ZINC001232360218 1312685619 /nfs/dbraw/zinc/68/56/19/1312685619.db2.gz CPUBPSOHVBFNTP-IBGZPJMESA-N 1 3 337.471 2.566 20 0 EFADHO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cn2)CC1 ZINC001232360218 1312685621 /nfs/dbraw/zinc/68/56/21/1312685621.db2.gz CPUBPSOHVBFNTP-IBGZPJMESA-N 1 3 337.471 2.566 20 0 EFADHO O[C@@H]1CCC[C@H]1N1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806149723 1288986133 /nfs/dbraw/zinc/98/61/33/1288986133.db2.gz XEZGQQOBVMSXPG-DJIMGWMZSA-N 1 3 335.879 2.690 20 0 EFADHO CN(Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1cccc(F)c1 ZINC001232361347 1312687123 /nfs/dbraw/zinc/68/71/23/1312687123.db2.gz WNRSSGMHPFQQHH-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO CN1CCN(c2ccc(C[N@H+](C)Cc3cccc(F)c3)cn2)CC1 ZINC001232361347 1312687126 /nfs/dbraw/zinc/68/71/26/1312687126.db2.gz WNRSSGMHPFQQHH-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO CN1CCN(c2ccc(C[N@@H+](C)Cc3cccc(F)c3)cn2)CC1 ZINC001232361347 1312687129 /nfs/dbraw/zinc/68/71/29/1312687129.db2.gz WNRSSGMHPFQQHH-UHFFFAOYSA-N 1 3 328.435 2.605 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)[C@@H]2C)C1 ZINC001179539347 1289183399 /nfs/dbraw/zinc/18/33/99/1289183399.db2.gz VNWMHURYKLVMAK-AOIWGVFYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCCc3ccccc3)[C@@H]2C)C1 ZINC001179539393 1289183559 /nfs/dbraw/zinc/18/35/59/1289183559.db2.gz WUARULZABSGUNF-HBFSDRIKSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)CCC[NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)[C@H]1C ZINC001179549488 1289186544 /nfs/dbraw/zinc/18/65/44/1289186544.db2.gz ASQZBZWZLPJTGE-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2C)[C@@H]1C)N(C)C ZINC001179554055 1289187301 /nfs/dbraw/zinc/18/73/01/1289187301.db2.gz NIYJLJKEYRSDIY-IHPCNDPISA-N 1 3 345.531 2.847 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCCCCC[NH2+]Cc2cccc(F)c2)C1 ZINC001179586548 1289190155 /nfs/dbraw/zinc/19/01/55/1289190155.db2.gz PZMRSKGTFUTTMT-QGZVFWFLSA-N 1 3 349.494 2.934 20 0 EFADHO CCOCCC[NH2+]CCCCCCNC(=O)CN(C)CC(C)(C)C ZINC001179592949 1289193044 /nfs/dbraw/zinc/19/30/44/1289193044.db2.gz RAPXYWHMMLJEBR-UHFFFAOYSA-N 1 3 343.556 2.657 20 0 EFADHO CC1(C)CCN(CC(=O)NCCCCCC[NH2+]Cc2ccccn2)C1 ZINC001179592959 1289193265 /nfs/dbraw/zinc/19/32/65/1289193265.db2.gz RPFSZYOOGWPSSM-UHFFFAOYSA-N 1 3 346.519 2.580 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1)N(C)C ZINC001179609569 1289197826 /nfs/dbraw/zinc/19/78/26/1289197826.db2.gz WWYGVVGLROLMLY-HNNXBMFYSA-N 1 3 333.467 2.638 20 0 EFADHO CC[C@@H](C(=O)NCCCCCC[NH2+]Cc1scnc1C)N(C)C ZINC001179609116 1289197891 /nfs/dbraw/zinc/19/78/91/1289197891.db2.gz IVHIWFSXMKQMGS-HNNXBMFYSA-N 1 3 340.537 2.558 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001179580258 1289201011 /nfs/dbraw/zinc/20/10/11/1289201011.db2.gz AXWTZQLGPPRHJP-LJQANCHMSA-N 1 3 345.531 2.980 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCCCCC[NH2+]CCc1ccccc1 ZINC001179580257 1289201394 /nfs/dbraw/zinc/20/13/94/1289201394.db2.gz AXWTZQLGPPRHJP-IBGZPJMESA-N 1 3 345.531 2.980 20 0 EFADHO CC(C)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)[C@H]1C ZINC001179779292 1289254401 /nfs/dbraw/zinc/25/44/01/1289254401.db2.gz IOTREEJZLVJDJU-FHWLQOOXSA-N 1 3 337.552 2.980 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)[C@@H]1C ZINC001179744519 1289256100 /nfs/dbraw/zinc/25/61/00/1289256100.db2.gz UIPBCVGVBILGFB-MPGHIAIKSA-N 1 3 335.467 2.808 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)[C@@H]1C ZINC001179744542 1289256476 /nfs/dbraw/zinc/25/64/76/1289256476.db2.gz VIFSNASQGFMRKN-AOIWGVFYSA-N 1 3 331.504 2.977 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)[C@@H]1C ZINC001179763983 1289262129 /nfs/dbraw/zinc/26/21/29/1289262129.db2.gz SAQCYKJEISUYHK-JXFKEZNVSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)[C@@H]1C ZINC001179763977 1289262340 /nfs/dbraw/zinc/26/23/40/1289262340.db2.gz RWZBBIKSWYMHGW-HKUYNNGSSA-N 1 3 331.504 2.724 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)[C@@H]1C ZINC001179762907 1289262353 /nfs/dbraw/zinc/26/23/53/1289262353.db2.gz ARGXRZFTTZBFHI-RDJZCZTQSA-N 1 3 337.533 2.602 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+]CCCOC ZINC001179838551 1289281839 /nfs/dbraw/zinc/28/18/39/1289281839.db2.gz CAMUEWZINBFLEO-UHFFFAOYSA-N 1 3 343.556 2.801 20 0 EFADHO CCCCCCN(C)CC(=O)NCCCCCC[NH2+][C@@H](C)COC ZINC001179838882 1289282271 /nfs/dbraw/zinc/28/22/71/1289282271.db2.gz USMLJFDEOCCPDY-SFHVURJKSA-N 1 3 343.556 2.800 20 0 EFADHO CCSc1ccccc1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000903450441 1312697313 /nfs/dbraw/zinc/69/73/13/1312697313.db2.gz VQCFPMJGHPVKJH-MRXNPFEDSA-N 1 3 335.517 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H]1C ZINC001179983087 1289350283 /nfs/dbraw/zinc/35/02/83/1289350283.db2.gz KSSWDMQRRNOALG-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(CF)cc2)[C@@H]1C ZINC001179982883 1289350444 /nfs/dbraw/zinc/35/04/44/1289350444.db2.gz GCBODJGXOUBUEK-YJBOKZPZSA-N 1 3 335.467 2.577 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(F)c2)[C@@H]1C ZINC001179983322 1289351775 /nfs/dbraw/zinc/35/17/75/1289351775.db2.gz WEOOEWOQXVOFOR-YJBOKZPZSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2)[C@@H]1C ZINC001179983245 1289352977 /nfs/dbraw/zinc/35/29/77/1289352977.db2.gz QXWXGKQZZMIDQZ-GJYPPUQNSA-N 1 3 347.503 2.677 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2C)[C@@H]1C ZINC001179986640 1289354601 /nfs/dbraw/zinc/35/46/01/1289354601.db2.gz BXZSNEKWTKQOGM-AOIWGVFYSA-N 1 3 331.504 2.977 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC001180124267 1289425930 /nfs/dbraw/zinc/42/59/30/1289425930.db2.gz SDGPSWZERVDMJF-UHFFFAOYSA-N 1 3 333.467 2.640 20 0 EFADHO CCCN(C)CC(=O)NCCCCCC[NH2+]Cc1cccc(OC)c1 ZINC001180124272 1289425975 /nfs/dbraw/zinc/42/59/75/1289425975.db2.gz SDHNUUFAJMXWDF-UHFFFAOYSA-N 1 3 349.519 2.803 20 0 EFADHO C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H]1C ZINC001180204276 1289442669 /nfs/dbraw/zinc/44/26/69/1289442669.db2.gz MUAXIJDYZNDSEM-VKJFTORMSA-N 1 3 335.467 2.689 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC001180222375 1289449227 /nfs/dbraw/zinc/44/92/27/1289449227.db2.gz NTMXDPXNIUUASE-YJBOKZPZSA-N 1 3 343.471 2.852 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180222665 1289449530 /nfs/dbraw/zinc/44/95/30/1289449530.db2.gz SAPIPOJAJNITIR-HKUYNNGSSA-N 1 3 331.504 2.723 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C2CC2)[C@@H]1C ZINC001180226662 1289450638 /nfs/dbraw/zinc/45/06/38/1289450638.db2.gz FXHFJIOUEBLKHA-JXFKEZNVSA-N 1 3 343.515 2.983 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)[C@@H]1C ZINC001180226795 1289451133 /nfs/dbraw/zinc/45/11/33/1289451133.db2.gz MXQWQENQCLKZKH-JVPBZIDWSA-N 1 3 347.478 2.732 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)[C@@H]1C ZINC001180226850 1289451364 /nfs/dbraw/zinc/45/13/64/1289451364.db2.gz PFKUMHBMLQCMHN-HKUYNNGSSA-N 1 3 331.504 2.538 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)[C@@H]1C ZINC001180226852 1289451694 /nfs/dbraw/zinc/45/16/94/1289451694.db2.gz PGZBIZQFSUMYIS-YJBOKZPZSA-N 1 3 342.487 2.587 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001180389319 1289506421 /nfs/dbraw/zinc/50/64/21/1289506421.db2.gz HXSZGFODLKEAAY-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001180389319 1289506433 /nfs/dbraw/zinc/50/64/33/1289506433.db2.gz HXSZGFODLKEAAY-FQEVSTJZSA-N 1 3 343.515 2.984 20 0 EFADHO Cc1csc(C[NH2+]CCCCCCNC(=O)CN(C)C(C)C)n1 ZINC001180369558 1289515684 /nfs/dbraw/zinc/51/56/84/1289515684.db2.gz LSVKMRDNGBSFJQ-UHFFFAOYSA-N 1 3 340.537 2.558 20 0 EFADHO Cc1ccccc1CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001166010156 1312718112 /nfs/dbraw/zinc/71/81/12/1312718112.db2.gz IWKJXLFEHGHCCC-LJQANCHMSA-N 1 3 333.520 2.610 20 0 EFADHO Cc1noc(C2(C)CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873209291 1289644010 /nfs/dbraw/zinc/64/40/10/1289644010.db2.gz JRSLYBQESIWDQG-UHFFFAOYSA-N 1 3 332.473 2.639 20 0 EFADHO CC(C)(NCc1cc2c(s1)CC[NH2+]C2)C(=O)NCC1CCCCC1 ZINC000873207118 1289644029 /nfs/dbraw/zinc/64/40/29/1289644029.db2.gz RFZSEIIRBYUFSG-UHFFFAOYSA-N 1 3 349.544 2.959 20 0 EFADHO c1c(C[NH2+]CC2(N3CCOCC3)CCCCC2)sc2c1CNCC2 ZINC000873211606 1289645716 /nfs/dbraw/zinc/64/57/16/1289645716.db2.gz POYBOMWSAJWURY-UHFFFAOYSA-N 1 3 349.544 2.519 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001016328592 1312723442 /nfs/dbraw/zinc/72/34/42/1312723442.db2.gz FJPIVQOCGMDQAW-HTWSVDAQSA-N 1 3 329.488 2.598 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](NC(=O)c3ccccc3CN(C)C)C2)C1 ZINC001016328592 1312723446 /nfs/dbraw/zinc/72/34/46/1312723446.db2.gz FJPIVQOCGMDQAW-HTWSVDAQSA-N 1 3 329.488 2.598 20 0 EFADHO [NH3+][C@H](C[C@@H]1CCCN(Cc2cnc3cnccn23)C1)C1CCCC1 ZINC000873231970 1289667796 /nfs/dbraw/zinc/66/77/96/1289667796.db2.gz HUYBEFIJHYUMOH-MAUKXSAKSA-N 1 3 327.476 2.849 20 0 EFADHO NC(=O)c1csc(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232842 1289668585 /nfs/dbraw/zinc/66/85/85/1289668585.db2.gz ZMKTWLPDNFYDPI-CXAGYDPISA-N 1 3 335.517 2.967 20 0 EFADHO NC(=O)c1csc(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1 ZINC000873232848 1289669715 /nfs/dbraw/zinc/66/97/15/1289669715.db2.gz ZMKTWLPDNFYDPI-SUMWQHHRSA-N 1 3 335.517 2.967 20 0 EFADHO COc1ccc(OC)c([C@H](C)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873289916 1289705033 /nfs/dbraw/zinc/70/50/33/1289705033.db2.gz MHABXTKEOFYSRR-HOCLYGCPSA-N 1 3 334.460 2.513 20 0 EFADHO COC[C@@H](NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1 ZINC000873294356 1289709047 /nfs/dbraw/zinc/70/90/47/1289709047.db2.gz VHZUVBZWIWMFHI-DLBZAZTESA-N 1 3 338.879 2.776 20 0 EFADHO CC(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCN2C(C)C)C[C@H]1C ZINC001181441512 1289807295 /nfs/dbraw/zinc/80/72/95/1289807295.db2.gz PVNSMFDKTYVBIY-QWFCFKBJSA-N 1 3 337.552 2.980 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC(C)C)C1 ZINC001181670766 1289897064 /nfs/dbraw/zinc/89/70/64/1289897064.db2.gz FNANEDUUYFSYLP-QWFCFKBJSA-N 1 3 337.552 2.981 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001181674216 1289897903 /nfs/dbraw/zinc/89/79/03/1289897903.db2.gz MNGUARNTZSRCAO-QZTJIDSGSA-N 1 3 349.906 2.557 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181746700 1289928722 /nfs/dbraw/zinc/92/87/22/1289928722.db2.gz WRPOZSYOBZYPOS-VQIMIIECSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@]1(C)C[NH2+]CC1CCCC1 ZINC001181736326 1289938131 /nfs/dbraw/zinc/93/81/31/1289938131.db2.gz MSFQRFBIPBXFQJ-OXQOHEQNSA-N 1 3 335.536 2.735 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC[C@@H](C)F)C1 ZINC001181941258 1290006890 /nfs/dbraw/zinc/00/68/90/1290006890.db2.gz DKGHPLRJGYOZSM-IIDMSEBBSA-N 1 3 329.504 2.539 20 0 EFADHO CC[C@@H](C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941242 1290007281 /nfs/dbraw/zinc/00/72/81/1290007281.db2.gz DAUDRQNLPVAOPD-GPMSIDNRSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](F)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001181941734 1290007566 /nfs/dbraw/zinc/00/75/66/1290007566.db2.gz NFJATXMILYDVJL-RVKKMQEKSA-N 1 3 329.504 2.539 20 0 EFADHO CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001181983092 1290021577 /nfs/dbraw/zinc/02/15/77/1290021577.db2.gz VLDBALXBQWRZEA-OALUTQOASA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H](c2ccccc2)N2CCCC2)C1 ZINC001181983092 1290021588 /nfs/dbraw/zinc/02/15/88/1290021588.db2.gz VLDBALXBQWRZEA-OALUTQOASA-N 1 3 329.488 2.670 20 0 EFADHO CCCCN(CC)[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccccc1 ZINC001182234229 1290115968 /nfs/dbraw/zinc/11/59/68/1290115968.db2.gz MQPYEBRKLNWOJC-ZCNNSNEGSA-N 1 3 343.515 2.870 20 0 EFADHO CCCCN(CC)[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1ccccc1 ZINC001182234229 1290115970 /nfs/dbraw/zinc/11/59/70/1290115970.db2.gz MQPYEBRKLNWOJC-ZCNNSNEGSA-N 1 3 343.515 2.870 20 0 EFADHO O=C([C@@H]1CCCN1CC1CC1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001182557048 1290219228 /nfs/dbraw/zinc/21/92/28/1290219228.db2.gz QJRPQQGGAILZSQ-IBGZPJMESA-N 1 3 339.483 2.529 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@@]1(C)C[NH2+]C/C=C\Cl ZINC001182623552 1290228143 /nfs/dbraw/zinc/22/81/43/1290228143.db2.gz PUMOKBIBHKNVJR-JYAXHDLFSA-N 1 3 341.927 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC2CCC2)C1)N(C)C ZINC001182637420 1290230006 /nfs/dbraw/zinc/23/00/06/1290230006.db2.gz DEPZRTVQSRURNG-IMFGXOCKSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccc(F)cc2)C1)N(C)C ZINC001182637792 1290230251 /nfs/dbraw/zinc/23/02/51/1290230251.db2.gz PRWLZKXNQDZGTJ-MOXGXCLJSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2cccc(F)c2)C1)N(C)C ZINC001182637809 1290230407 /nfs/dbraw/zinc/23/04/07/1290230407.db2.gz QNIAEAFUSSPWRA-MOXGXCLJSA-N 1 3 349.494 2.740 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001182637392 1290230488 /nfs/dbraw/zinc/23/04/88/1290230488.db2.gz CDVAXHKOQOAVQF-IMFGXOCKSA-N 1 3 331.504 2.601 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC(C)(C)C2)C1)N(C)C ZINC001182637558 1290230765 /nfs/dbraw/zinc/23/07/65/1290230765.db2.gz JHFKXGVWNYPHLI-OXFYSEKESA-N 1 3 337.552 2.837 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCCCF)C1 ZINC001182932961 1290281893 /nfs/dbraw/zinc/28/18/93/1290281893.db2.gz FTLGDSOPUDDDRV-SJLPKXTDSA-N 1 3 329.504 2.542 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC(C)C)C1 ZINC001182934124 1290282038 /nfs/dbraw/zinc/28/20/38/1290282038.db2.gz QUYRQTUTHZRWDM-IEBWSBKVSA-N 1 3 325.541 2.839 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](F)CN(CC)CC)C2)cc1 ZINC001182973458 1290287997 /nfs/dbraw/zinc/28/79/97/1290287997.db2.gz LEAPGXXYHQDLHU-MOPGFXCFSA-N 1 3 349.494 2.619 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001183288397 1290321850 /nfs/dbraw/zinc/32/18/50/1290321850.db2.gz FREJDSYQGNRSKU-LJQANCHMSA-N 1 3 343.515 2.602 20 0 EFADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC/C=C\c2ccccc2)C1)C1CCC1 ZINC001183288734 1290322365 /nfs/dbraw/zinc/32/23/65/1290322365.db2.gz MJLBGFWDFVKTNC-HIZXUYSRSA-N 1 3 341.499 2.765 20 0 EFADHO CC(C)[C@H](C(=O)n1cc(N)c(=[NH2+])c(-c2cccc(F)c2)c1)N(C)C ZINC001183360059 1290331934 /nfs/dbraw/zinc/33/19/34/1290331934.db2.gz MDAFGXCPCQIUJD-QGZVFWFLSA-N 1 3 330.407 2.582 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001183359206 1290332347 /nfs/dbraw/zinc/33/23/47/1290332347.db2.gz BKFFUVCUUVJITL-HSALFYBXSA-N 1 3 343.515 2.696 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC001183359206 1290332357 /nfs/dbraw/zinc/33/23/57/1290332357.db2.gz BKFFUVCUUVJITL-HSALFYBXSA-N 1 3 343.515 2.696 20 0 EFADHO Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183450268 1290349807 /nfs/dbraw/zinc/34/98/07/1290349807.db2.gz LZYQXIBTDJPSCO-UXHICEINSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCc2ccccc2)C1 ZINC001183509475 1290357874 /nfs/dbraw/zinc/35/78/74/1290357874.db2.gz IEWKEGITWDEFJK-WIYYLYMNSA-N 1 3 345.531 2.644 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@]1(C)CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001183510463 1290358209 /nfs/dbraw/zinc/35/82/09/1290358209.db2.gz XQBQWPQSXUJXEU-WIYYLYMNSA-N 1 3 345.531 2.909 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000874828524 1290378430 /nfs/dbraw/zinc/37/84/30/1290378430.db2.gz HKUBTGNONVBSCS-VQTJNVASSA-N 1 3 341.499 2.981 20 0 EFADHO CN1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000874828523 1290379000 /nfs/dbraw/zinc/37/90/00/1290379000.db2.gz HKUBTGNONVBSCS-UXHICEINSA-N 1 3 341.499 2.981 20 0 EFADHO Cc1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)c(CN(C)C)c1 ZINC001166503826 1312786197 /nfs/dbraw/zinc/78/61/97/1312786197.db2.gz WJTOAWTXQNTFNL-UHFFFAOYSA-N 1 3 347.484 2.613 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)[C@@H](C)C1 ZINC001184710869 1290496829 /nfs/dbraw/zinc/49/68/29/1290496829.db2.gz ADSIYPSACYIBBE-LPXAQJHASA-N 1 3 329.916 2.543 20 0 EFADHO CC(C)Oc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCNCC2)cc1 ZINC000903510451 1312792248 /nfs/dbraw/zinc/79/22/48/1312792248.db2.gz QBEVFYCZUHWKSL-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO CC(C)Oc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCNCC2)cc1 ZINC000903510451 1312792252 /nfs/dbraw/zinc/79/22/52/1312792252.db2.gz QBEVFYCZUHWKSL-BGYRXZFFSA-N 1 3 343.515 2.874 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001037156192 1290607587 /nfs/dbraw/zinc/60/75/87/1290607587.db2.gz DFGZQPOLHAOVPH-IRXDYDNUSA-N 1 3 330.476 2.636 20 0 EFADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001185213619 1290622340 /nfs/dbraw/zinc/62/23/40/1290622340.db2.gz DWEKKUXYXZUTSO-AEFFLSMTSA-N 1 3 344.503 2.917 20 0 EFADHO C[NH+]1CCC2(CN(Cc3c[nH]c4cc(Br)ncc34)C2)CC1 ZINC001232861640 1312797453 /nfs/dbraw/zinc/79/74/53/1312797453.db2.gz BBBQEDWMDFWCTE-UHFFFAOYSA-N 1 3 349.276 2.853 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](C)C1 ZINC001185347024 1290647122 /nfs/dbraw/zinc/64/71/22/1290647122.db2.gz DWWRGBPPOKENJH-WMZOPIPTSA-N 1 3 349.494 2.742 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCC3CC3)[C@H](C)C2)CC1 ZINC001185361179 1290652156 /nfs/dbraw/zinc/65/21/56/1290652156.db2.gz VTDPONRPPSXVFV-MJGOQNOKSA-N 1 3 335.536 2.593 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)[C@H](C)C1 ZINC001185338169 1290655335 /nfs/dbraw/zinc/65/53/35/1290655335.db2.gz PQIQFMWPGODVSW-UYAOXDASSA-N 1 3 345.531 2.911 20 0 EFADHO CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001185382326 1290662327 /nfs/dbraw/zinc/66/23/27/1290662327.db2.gz ZCQXKVNZEHNTRD-OALUTQOASA-N 1 3 337.552 2.839 20 0 EFADHO CCCCCC[NH2+]C[C@H]1CCN(C(=O)CN(C)CCC)C[C@@H]1C ZINC001185549726 1290706349 /nfs/dbraw/zinc/70/63/49/1290706349.db2.gz RTEORCBGDGLRKP-ZWKOTPCHSA-N 1 3 325.541 2.983 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(C)c2)[C@@H](C)C1 ZINC001185536668 1290716096 /nfs/dbraw/zinc/71/60/96/1290716096.db2.gz ODCSEMZHXHXJJU-ICSRJNTNSA-N 1 3 345.531 2.911 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC001185547533 1290718260 /nfs/dbraw/zinc/71/82/60/1290718260.db2.gz IISLRMMVLRQIMR-PKOBYXMFSA-N 1 3 331.504 2.603 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC001185547783 1290718986 /nfs/dbraw/zinc/71/89/86/1290718986.db2.gz JOYHQQXJCAJQDU-PKOBYXMFSA-N 1 3 337.552 2.983 20 0 EFADHO Cc1cccc(CCC[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)c1 ZINC001166626214 1312805795 /nfs/dbraw/zinc/80/57/95/1312805795.db2.gz CIODIFODRZOVLJ-SFHVURJKSA-N 1 3 331.504 2.508 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001166626390 1312805965 /nfs/dbraw/zinc/80/59/65/1312805965.db2.gz FHYTYZDSMPBPRD-KDOFPFPSSA-N 1 3 349.906 2.908 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC/C=C/c2ccccc2)C1)N(C)C ZINC001185715656 1290750398 /nfs/dbraw/zinc/75/03/98/1290750398.db2.gz HHXPGNOHQMIENT-MQESYYLESA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccc(Cl)cc2)C1)N(C)C ZINC001185716139 1290751023 /nfs/dbraw/zinc/75/10/23/1290751023.db2.gz QDDYJLJXKXLMOR-WIJVFFIESA-N 1 3 349.906 2.884 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+]CCCCCF)[C@H](C)C1 ZINC001185763644 1290758756 /nfs/dbraw/zinc/75/87/56/1290758756.db2.gz UFIOSFDXBSBRJW-SJORKVTESA-N 1 3 329.504 2.541 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@@H]1C ZINC001185754253 1290763606 /nfs/dbraw/zinc/76/36/06/1290763606.db2.gz ZUSPAQMIAJWRJL-FUHWJXTLSA-N 1 3 325.541 2.837 20 0 EFADHO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001185754255 1290764187 /nfs/dbraw/zinc/76/41/87/1290764187.db2.gz ZUSPAQMIAJWRJL-SJLPKXTDSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1F ZINC001166634430 1312808291 /nfs/dbraw/zinc/80/82/91/1312808291.db2.gz RPXXGDALSWIBOD-CYBMUJFWSA-N 1 3 341.858 2.559 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)c1cccc(Cl)c1 ZINC001166634505 1312808801 /nfs/dbraw/zinc/80/88/01/1312808801.db2.gz UZHANSTYCNIDBF-CABCVRRESA-N 1 3 337.895 2.981 20 0 EFADHO CC(C)(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662678 1290785186 /nfs/dbraw/zinc/78/51/86/1290785186.db2.gz NEHZPMCADQGFRP-FVQHAEBGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114662678 1290785192 /nfs/dbraw/zinc/78/51/92/1290785192.db2.gz NEHZPMCADQGFRP-FVQHAEBGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663979 1290789163 /nfs/dbraw/zinc/78/91/63/1290789163.db2.gz XXGJHPUTABXPMZ-BDXSIMOUSA-N 1 3 335.536 2.589 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)N1CCCC1 ZINC001114663979 1290789169 /nfs/dbraw/zinc/78/91/69/1290789169.db2.gz XXGJHPUTABXPMZ-BDXSIMOUSA-N 1 3 335.536 2.589 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)c1ccc2c(c1)CCC2 ZINC001166627020 1312806791 /nfs/dbraw/zinc/80/67/91/1312806791.db2.gz OBRURLXJCILBNI-IRXDYDNUSA-N 1 3 343.515 2.817 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC001166627211 1312806857 /nfs/dbraw/zinc/80/68/57/1312806857.db2.gz SHCZRUHQUJRGLE-QFBILLFUSA-N 1 3 329.488 2.644 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)c1cccc(Cl)c1 ZINC001166668175 1312814942 /nfs/dbraw/zinc/81/49/42/1312814942.db2.gz UHXMDGDCOOVSQF-LSDHHAIUSA-N 1 3 337.895 2.839 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+]CCCNC(=O)CN1CC[C@H](C)C1 ZINC001166667628 1312815048 /nfs/dbraw/zinc/81/50/48/1312815048.db2.gz FRERETWOILNKLJ-AWEZNQCLSA-N 1 3 337.895 2.586 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)c1ccc2c(c1)CCC2 ZINC001166677552 1312817296 /nfs/dbraw/zinc/81/72/96/1312817296.db2.gz JXUCQIVQRRLNTQ-IAGOWNOFSA-N 1 3 343.515 2.674 20 0 EFADHO CC(C)c1ccccc1C[NH2+]CCCNC(=O)CN1CC[C@@H](C)C1 ZINC001166677078 1312817422 /nfs/dbraw/zinc/81/74/22/1312817422.db2.gz FGDZURDZFULSJD-QGZVFWFLSA-N 1 3 331.504 2.748 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccccc2C2CC2)C1 ZINC001166676934 1312817435 /nfs/dbraw/zinc/81/74/35/1312817435.db2.gz DZPIMCPDKMQLBP-MRXNPFEDSA-N 1 3 329.488 2.502 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001154000877 1290905555 /nfs/dbraw/zinc/90/55/55/1290905555.db2.gz LMNJILNXMZYOTG-RBSFLKMASA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H]1CCC(F)(F)C1)N(C)C ZINC001154000877 1290905564 /nfs/dbraw/zinc/90/55/64/1290905564.db2.gz LMNJILNXMZYOTG-RBSFLKMASA-N 1 3 333.467 2.589 20 0 EFADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001166678865 1312818309 /nfs/dbraw/zinc/81/83/09/1312818309.db2.gz XAXHOGYXBLUHDZ-KRWDZBQOSA-N 1 3 343.515 2.892 20 0 EFADHO C[NH+]1CCC2(CCN(Cc3ccc(OC(F)F)nc3)CC2)CC1 ZINC001232955615 1312818377 /nfs/dbraw/zinc/81/83/77/1312818377.db2.gz CDQVTDSJPNGTLY-UHFFFAOYSA-N 1 3 325.403 2.991 20 0 EFADHO CCCCCC[NH2+]CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001166687229 1312820396 /nfs/dbraw/zinc/82/03/96/1312820396.db2.gz KCGNMGDWCJWNPH-GOSISDBHSA-N 1 3 329.504 2.875 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC001186452445 1290955950 /nfs/dbraw/zinc/95/59/50/1290955950.db2.gz PUJLRWRWMKTFBZ-WMLDXEAASA-N 1 3 337.895 2.933 20 0 EFADHO CCC[N@H+](C)C[C@@H]1CCN(CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876775124 1291017887 /nfs/dbraw/zinc/01/78/87/1291017887.db2.gz OVHSGSXQTPMYNF-KRWDZBQOSA-N 1 3 339.524 2.909 20 0 EFADHO CCC[N@@H+](C)C[C@@H]1CCN(CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000876775124 1291017896 /nfs/dbraw/zinc/01/78/96/1291017896.db2.gz OVHSGSXQTPMYNF-KRWDZBQOSA-N 1 3 339.524 2.909 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001186816887 1291021725 /nfs/dbraw/zinc/02/17/25/1291021725.db2.gz IFWUDJWUPKAMKG-UKRRQHHQSA-N 1 3 339.430 2.558 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001186816887 1291021734 /nfs/dbraw/zinc/02/17/34/1291021734.db2.gz IFWUDJWUPKAMKG-UKRRQHHQSA-N 1 3 339.430 2.558 20 0 EFADHO Cc1ccc(CC[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001166744017 1312832889 /nfs/dbraw/zinc/83/28/89/1312832889.db2.gz CTDUCJPVBPWEBH-UHFFFAOYSA-N 1 3 333.520 2.611 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1ccc(F)c(F)c1)CC(C)(C)C ZINC001166744321 1312833063 /nfs/dbraw/zinc/83/30/63/1312833063.db2.gz QEIYYRVIPXHPAW-UHFFFAOYSA-N 1 3 341.446 2.539 20 0 EFADHO CN(CC(=O)NCCC[NH2+]CC[C@H]1CCCC1(F)F)CC(C)(C)C ZINC001166744171 1312833171 /nfs/dbraw/zinc/83/31/71/1312833171.db2.gz KYFKCIRBTRUHHM-OAHLLOKOSA-N 1 3 347.494 2.886 20 0 EFADHO Cc1ccc(F)c(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1 ZINC001166744310 1312833226 /nfs/dbraw/zinc/83/32/26/1312833226.db2.gz POOKWZRGPYGDFU-UHFFFAOYSA-N 1 3 337.483 2.708 20 0 EFADHO CN(CC(=O)NCCC[NH2+]Cc1cccc(Cl)c1)CC(C)(C)C ZINC001166744351 1312833237 /nfs/dbraw/zinc/83/32/37/1312833237.db2.gz RXUUDAOSXXFLPZ-UHFFFAOYSA-N 1 3 339.911 2.914 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]C/C=C\c2ccccc2)C1 ZINC001166759786 1312837506 /nfs/dbraw/zinc/83/75/06/1312837506.db2.gz YFBVAGBKBRRMRC-POHAHGRESA-N 1 3 329.488 2.528 20 0 EFADHO COc1ccc(C)cc1C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C ZINC001166750383 1312834444 /nfs/dbraw/zinc/83/44/44/1312834444.db2.gz FKMBKNYAJKOLHD-UHFFFAOYSA-N 1 3 349.519 2.577 20 0 EFADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)CC(C)(C)C)c1ccc(F)cc1 ZINC001166750386 1312835034 /nfs/dbraw/zinc/83/50/34/1312835034.db2.gz FOEBPKWPBOJOSY-OAHLLOKOSA-N 1 3 337.483 2.961 20 0 EFADHO CN(CC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2F)CC(C)(C)C ZINC001166751488 1312835245 /nfs/dbraw/zinc/83/52/45/1312835245.db2.gz SQYAPTVDDRKWKH-SFHVURJKSA-N 1 3 349.494 2.887 20 0 EFADHO CN1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCC1(C)C ZINC000877206533 1291166196 /nfs/dbraw/zinc/16/61/96/1291166196.db2.gz JFWQNAJGKMUYLQ-QGZVFWFLSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166758425 1312836765 /nfs/dbraw/zinc/83/67/65/1312836765.db2.gz GGZIZRNBHPIZLI-UHFFFAOYSA-N 1 3 331.504 2.631 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC2CCC(F)(F)CC2)C1 ZINC001166764431 1312837856 /nfs/dbraw/zinc/83/78/56/1312837856.db2.gz CPXOYOURAYAGKB-UHFFFAOYSA-N 1 3 345.478 2.640 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001166764437 1312837875 /nfs/dbraw/zinc/83/78/75/1312837875.db2.gz CVUPERUCIWYSMC-HNNXBMFYSA-N 1 3 345.478 2.640 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)c(C)c1 ZINC001166765103 1312838397 /nfs/dbraw/zinc/83/83/97/1312838397.db2.gz RLQCTNSIRNIRCT-UHFFFAOYSA-N 1 3 331.504 2.631 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001166764931 1312838694 /nfs/dbraw/zinc/83/86/94/1312838694.db2.gz ONKZRKWSQIFDCF-UHFFFAOYSA-N 1 3 335.536 2.785 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCCCc2ccccc2)C1 ZINC001166764600 1312838750 /nfs/dbraw/zinc/83/87/50/1312838750.db2.gz GYZVNZLKEDLXIF-UHFFFAOYSA-N 1 3 345.531 2.837 20 0 EFADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001166764906 1312838776 /nfs/dbraw/zinc/83/87/76/1312838776.db2.gz NUBAWGKTZVGIQE-GOSISDBHSA-N 1 3 329.488 2.502 20 0 EFADHO O=C(C[C@@H]1NCc2ccccc21)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000877408611 1291227533 /nfs/dbraw/zinc/22/75/33/1291227533.db2.gz HESYTVUMBUAYGP-ZWKOTPCHSA-N 1 3 327.472 2.650 20 0 EFADHO CN1C[C@@H]2C[N@@H+](Cc3cccc(CNC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000877483142 1291243804 /nfs/dbraw/zinc/24/38/04/1291243804.db2.gz LYRBVTJRGRFSJX-HDICACEKSA-N 1 3 345.487 2.705 20 0 EFADHO CN1C[C@@H]2C[N@H+](Cc3cccc(CNC(=O)OC(C)(C)C)c3)C[C@@H]2C1 ZINC000877483142 1291243815 /nfs/dbraw/zinc/24/38/15/1291243815.db2.gz LYRBVTJRGRFSJX-HDICACEKSA-N 1 3 345.487 2.705 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001187857125 1291249820 /nfs/dbraw/zinc/24/98/20/1291249820.db2.gz JLZNLBBOERQSQA-OKZBNKHCSA-N 1 3 339.499 2.532 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001187857125 1291249830 /nfs/dbraw/zinc/24/98/30/1291249830.db2.gz JLZNLBBOERQSQA-OKZBNKHCSA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532559 1291263903 /nfs/dbraw/zinc/26/39/03/1291263903.db2.gz VPDWDJFQFJOHPU-UXHICEINSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000877532559 1291263904 /nfs/dbraw/zinc/26/39/04/1291263904.db2.gz VPDWDJFQFJOHPU-UXHICEINSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@@H+]1CCC[C@@]2(CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)C1 ZINC000877552423 1291272885 /nfs/dbraw/zinc/27/28/85/1291272885.db2.gz TZSUUDWJQBHMKQ-LJQANCHMSA-N 1 3 339.524 2.955 20 0 EFADHO C[N@H+]1CCC[C@@]2(CCN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)C1 ZINC000877552423 1291272892 /nfs/dbraw/zinc/27/28/92/1291272892.db2.gz TZSUUDWJQBHMKQ-LJQANCHMSA-N 1 3 339.524 2.955 20 0 EFADHO CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001188086202 1291309049 /nfs/dbraw/zinc/30/90/49/1291309049.db2.gz YVROFBXHINLVQW-SFFCAUCYSA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001188158180 1291333190 /nfs/dbraw/zinc/33/31/90/1291333190.db2.gz GBTSATDTUNPMKF-MJGOQNOKSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001188158900 1291333617 /nfs/dbraw/zinc/33/36/17/1291333617.db2.gz ZIKHOFLRVKTTCG-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001188158436 1291333855 /nfs/dbraw/zinc/33/38/55/1291333855.db2.gz OLFKQTJOXHGENN-QZTJIDSGSA-N 1 3 331.504 2.895 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccccc32)C1 ZINC001188158414 1291334091 /nfs/dbraw/zinc/33/40/91/1291334091.db2.gz NPXGATKNUWFPOD-RBUKOAKNSA-N 1 3 343.515 2.637 20 0 EFADHO CC(C)COc1ccccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746315 1291355071 /nfs/dbraw/zinc/35/50/71/1291355071.db2.gz MMKJPNRBXMTLJV-UHFFFAOYSA-N 1 3 345.531 2.933 20 0 EFADHO CC[C@@H](C(=O)NCCC[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001166857331 1312854985 /nfs/dbraw/zinc/85/49/85/1312854985.db2.gz CODUXKLKXWESPD-SFHVURJKSA-N 1 3 333.520 2.920 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)[NH+](CC)CC ZINC001189109637 1291570913 /nfs/dbraw/zinc/57/09/13/1291570913.db2.gz BKWQAXRKOCVVPP-XUVXKRRUSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1ccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001189388100 1291694748 /nfs/dbraw/zinc/69/47/48/1291694748.db2.gz BVOUTFYVANUMCN-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC001189388100 1291694751 /nfs/dbraw/zinc/69/47/51/1291694751.db2.gz BVOUTFYVANUMCN-WOJBJXKFSA-N 1 3 343.515 2.555 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2 ZINC000957516920 1291697404 /nfs/dbraw/zinc/69/74/04/1291697404.db2.gz DWTHTKCMOLMGKI-GOSISDBHSA-N 1 3 333.520 2.585 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C/C=C/Cl)CC2 ZINC000957517395 1291699720 /nfs/dbraw/zinc/69/97/20/1291699720.db2.gz QJRIGDGLFKHUFG-CFZDNBDDSA-N 1 3 339.911 2.538 20 0 EFADHO CN(CC(=O)NC1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000878712247 1291764125 /nfs/dbraw/zinc/76/41/25/1291764125.db2.gz WZWKJLFVIBFEPT-PMACEKPBSA-N 1 3 343.515 2.855 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC2(CC1)CC[NH+](CCC1CC1)CC2)C1CC1 ZINC000957559098 1291764175 /nfs/dbraw/zinc/76/41/75/1291764175.db2.gz AZLKUUNGNNCURQ-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[NH+]1CCC2(CCN(C(=O)CN(C)C3CCC3)CC2)CC1 ZINC000957561160 1291768893 /nfs/dbraw/zinc/76/88/93/1291768893.db2.gz HGESKEXRBJGGTM-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CCC2(CC1)CC[NH+](C[C@@H](F)CC)CC2)N(C)C ZINC000957568984 1291781338 /nfs/dbraw/zinc/78/13/38/1291781338.db2.gz UIAJOTSUZFMQRF-DLBZAZTESA-N 1 3 341.515 2.779 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001016611225 1312881079 /nfs/dbraw/zinc/88/10/79/1312881079.db2.gz CNZSULZOYHROHJ-QZTJIDSGSA-N 1 3 333.520 2.630 20 0 EFADHO c1nn2ccccc2c1CN1CCC(COCC[NH+]2CCCC2)CC1 ZINC001233236622 1312882926 /nfs/dbraw/zinc/88/29/26/1312882926.db2.gz ZLFDWYMGDWJLOD-UHFFFAOYSA-N 1 3 342.487 2.659 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016615082 1312883088 /nfs/dbraw/zinc/88/30/88/1312883088.db2.gz SHZABKFFLMGXJV-ZWKOTPCHSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC000957602866 1291854441 /nfs/dbraw/zinc/85/44/41/1291854441.db2.gz JHZPAJYTRLRRFH-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(CC1)CC[NH+](CC1CC1)CC2 ZINC000957603619 1291855409 /nfs/dbraw/zinc/85/54/09/1291855409.db2.gz UYUOHCFFPKAJTC-QGZVFWFLSA-N 1 3 333.520 2.585 20 0 EFADHO CC[C@@H](c1ccc(Cl)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114777894 1291914416 /nfs/dbraw/zinc/91/44/16/1291914416.db2.gz APLZNQDSKVDOND-MJQMVNBJSA-N 1 3 349.906 2.789 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465940 1312890777 /nfs/dbraw/zinc/89/07/77/1312890777.db2.gz XOPFOKXHWDLHMT-QRVBRYPASA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1C(C)C ZINC001049465940 1312890780 /nfs/dbraw/zinc/89/07/80/1312890780.db2.gz XOPFOKXHWDLHMT-QRVBRYPASA-N 1 3 335.536 2.971 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(CC1)CC[NH+](C(C)C)CC2 ZINC000957647536 1291959997 /nfs/dbraw/zinc/95/99/97/1291959997.db2.gz LUJFVUOQJOAXJF-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO CCc1nc(C)c(CN2C[C@@H]3C[N@@H+](Cc4ccncc4)CC[C@@H]3C2)[nH]1 ZINC001203238376 1312893735 /nfs/dbraw/zinc/89/37/35/1312893735.db2.gz LHDYLSUKPAUVPP-MSOLQXFVSA-N 1 3 339.487 2.629 20 0 EFADHO CCc1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)[nH]1 ZINC001203238376 1312893739 /nfs/dbraw/zinc/89/37/39/1312893739.db2.gz LHDYLSUKPAUVPP-MSOLQXFVSA-N 1 3 339.487 2.629 20 0 EFADHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879248055 1292041254 /nfs/dbraw/zinc/04/12/54/1292041254.db2.gz ZUUFHGWIEDVTGE-KZNAEPCWSA-N 1 3 335.536 2.878 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690222 1292068921 /nfs/dbraw/zinc/06/89/21/1292068921.db2.gz JTLQAKQSTDMAEE-NKELODKYSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690222 1292068932 /nfs/dbraw/zinc/06/89/32/1292068932.db2.gz JTLQAKQSTDMAEE-NKELODKYSA-N 1 3 335.536 2.687 20 0 EFADHO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690788 1292070220 /nfs/dbraw/zinc/07/02/20/1292070220.db2.gz PYEFIOWLRTZMMK-GOSISDBHSA-N 1 3 349.544 2.903 20 0 EFADHO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000957690788 1292070228 /nfs/dbraw/zinc/07/02/28/1292070228.db2.gz PYEFIOWLRTZMMK-GOSISDBHSA-N 1 3 349.544 2.903 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@@H+]1C ZINC001190237959 1292075009 /nfs/dbraw/zinc/07/50/09/1292075009.db2.gz GAAYHAVQAHBKHN-XJHIDQIASA-N 1 3 341.499 2.573 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)C/C=C/c3ccccc3)C2)CC[N@H+]1C ZINC001190237959 1292075015 /nfs/dbraw/zinc/07/50/15/1292075015.db2.gz GAAYHAVQAHBKHN-XJHIDQIASA-N 1 3 341.499 2.573 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016651753 1312904022 /nfs/dbraw/zinc/90/40/22/1312904022.db2.gz KFRMOJSKEJBNLB-ZWKOTPCHSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001016651752 1312904201 /nfs/dbraw/zinc/90/42/01/1312904201.db2.gz KFRMOJSKEJBNLB-ROUUACIJSA-N 1 3 333.520 2.632 20 0 EFADHO CC[N@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720554 1292130763 /nfs/dbraw/zinc/13/07/63/1292130763.db2.gz RCROZMUQYVQRQT-NLPFYKDJSA-N 1 3 349.563 2.933 20 0 EFADHO CC[N@@H+](CC1CC(C)C1)CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC000957720554 1292130767 /nfs/dbraw/zinc/13/07/67/1292130767.db2.gz RCROZMUQYVQRQT-NLPFYKDJSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCF)N1CCCCC1 ZINC001049477468 1312904819 /nfs/dbraw/zinc/90/48/19/1312904819.db2.gz GYEHNNRAAYNASW-IAGOWNOFSA-N 1 3 339.499 2.676 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF)N1CCCCC1 ZINC001049477468 1312904822 /nfs/dbraw/zinc/90/48/22/1312904822.db2.gz GYEHNNRAAYNASW-IAGOWNOFSA-N 1 3 339.499 2.676 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(C)c2)C1 ZINC001190445569 1292165081 /nfs/dbraw/zinc/16/50/81/1292165081.db2.gz YVGXVMNCUBSQIC-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C)c2)C1 ZINC001190445569 1292165086 /nfs/dbraw/zinc/16/50/86/1292165086.db2.gz YVGXVMNCUBSQIC-MOPGFXCFSA-N 1 3 349.494 2.708 20 0 EFADHO CC[N@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000957753168 1292191478 /nfs/dbraw/zinc/19/14/78/1292191478.db2.gz BCFREZBMKMMWTJ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@@H+](CC1CCC1)CC1CCN(C(=O)CN2CCC[C@@H]2C)CC1 ZINC000957753168 1292191484 /nfs/dbraw/zinc/19/14/84/1292191484.db2.gz BCFREZBMKMMWTJ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(CC2CCCCCC2)CC1 ZINC000957762009 1292207214 /nfs/dbraw/zinc/20/72/14/1292207214.db2.gz WAAMQLSHJDHTCZ-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO C[NH+](C)Cc1cccc(C(=O)N2CCN(CC3CCCC3)CC2)c1 ZINC000957767563 1292213218 /nfs/dbraw/zinc/21/32/18/1292213218.db2.gz ANKSXIONJYJYPZ-UHFFFAOYSA-N 1 3 329.488 2.696 20 0 EFADHO COc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1CN1CCCCC1 ZINC000775398590 1292241095 /nfs/dbraw/zinc/24/10/95/1292241095.db2.gz AVMPOSBNWDKSKB-LSDHHAIUSA-N 1 3 333.476 2.596 20 0 EFADHO COc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1CN1CCCCC1 ZINC000775398585 1292241479 /nfs/dbraw/zinc/24/14/79/1292241479.db2.gz AVMPOSBNWDKSKB-CABCVRRESA-N 1 3 333.476 2.596 20 0 EFADHO C[NH+](C)CCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2Cl)C12CCC2 ZINC001203360270 1312912477 /nfs/dbraw/zinc/91/24/77/1312912477.db2.gz WKYDPSPORKUBHB-IAGOWNOFSA-N 1 3 349.906 2.809 20 0 EFADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCc2ccccc2Cl)C12CCC2 ZINC001203360271 1312912679 /nfs/dbraw/zinc/91/26/79/1312912679.db2.gz WKYDPSPORKUBHB-IRXDYDNUSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1)N(C)C ZINC001190901582 1292348026 /nfs/dbraw/zinc/34/80/26/1292348026.db2.gz YKKPIOJLARHAAE-DLBZAZTESA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1)N(C)C ZINC001190901582 1292348034 /nfs/dbraw/zinc/34/80/34/1292348034.db2.gz YKKPIOJLARHAAE-DLBZAZTESA-N 1 3 337.533 2.554 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001190890631 1292366431 /nfs/dbraw/zinc/36/64/31/1292366431.db2.gz VLXICUHXPWGVDP-HHPZPRIESA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1)N(C)C ZINC001190890631 1292366437 /nfs/dbraw/zinc/36/64/37/1292366437.db2.gz VLXICUHXPWGVDP-HHPZPRIESA-N 1 3 329.488 2.573 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001190899082 1292369826 /nfs/dbraw/zinc/36/98/26/1292369826.db2.gz HAACVFVYWLPDAD-JORPEJITSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001190899082 1292369833 /nfs/dbraw/zinc/36/98/33/1292369833.db2.gz HAACVFVYWLPDAD-JORPEJITSA-N 1 3 343.515 2.963 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001191028529 1292433789 /nfs/dbraw/zinc/43/37/89/1292433789.db2.gz BZRDQIYTXDNKHY-LSDHHAIUSA-N 1 3 345.478 2.685 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)C[C@H]2CCC(F)(F)C2)C1 ZINC001191028529 1292433797 /nfs/dbraw/zinc/43/37/97/1292433797.db2.gz BZRDQIYTXDNKHY-LSDHHAIUSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)(C)C(=O)N1CCC(CN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880474233 1292513870 /nfs/dbraw/zinc/51/38/70/1292513870.db2.gz VLIVTSDVMBZCRL-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO COc1cccc(NC(=O)CC[NH+]2CCC(C)(N3CCC3)CC2)c1 ZINC000880474142 1292514240 /nfs/dbraw/zinc/51/42/40/1292514240.db2.gz DKNUZTZGLNHLHN-UHFFFAOYSA-N 1 3 331.460 2.584 20 0 EFADHO CN(CCCC[NH+]1CCCCC1)Cc1ccc(-n2ccnc2)nc1 ZINC000880517760 1292528216 /nfs/dbraw/zinc/52/82/16/1292528216.db2.gz WHRJRMGCEMIYRM-UHFFFAOYSA-N 1 3 327.476 2.965 20 0 EFADHO CC(C)=CCN(C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542880 1292563001 /nfs/dbraw/zinc/56/30/01/1292563001.db2.gz JJFSZAPAKHQOOA-SFHVURJKSA-N 1 3 335.536 2.997 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001049505664 1312938615 /nfs/dbraw/zinc/93/86/15/1312938615.db2.gz RLXBNQOZMBJDJQ-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049505664 1312938618 /nfs/dbraw/zinc/93/86/18/1312938618.db2.gz RLXBNQOZMBJDJQ-GUDVDZBRSA-N 1 3 333.520 2.726 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C12CCC2 ZINC001203516653 1312943755 /nfs/dbraw/zinc/94/37/55/1312943755.db2.gz ZQPZJHIOHRPSAX-QZTJIDSGSA-N 1 3 347.478 2.685 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C12CCC2 ZINC001203522715 1312945520 /nfs/dbraw/zinc/94/55/20/1312945520.db2.gz OCVFMTAGVIDOBJ-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CCN(CC)CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C12CCC2 ZINC001203524587 1312946369 /nfs/dbraw/zinc/94/63/69/1312946369.db2.gz XDQUELXIHDFZLQ-QZTJIDSGSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cc4ccccc4s3)C2)C1 ZINC001276314914 1292729863 /nfs/dbraw/zinc/72/98/63/1292729863.db2.gz SPPZYFBFIOCAPZ-UHFFFAOYSA-N 1 3 329.513 2.971 20 0 EFADHO CN(C)CC[N@H+]1CCC2(CN(Cc3cc4ccccc4s3)C2)C1 ZINC001276314914 1292729872 /nfs/dbraw/zinc/72/98/72/1292729872.db2.gz SPPZYFBFIOCAPZ-UHFFFAOYSA-N 1 3 329.513 2.971 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046674 1292743962 /nfs/dbraw/zinc/74/39/62/1292743962.db2.gz OHQWYCJLWXUCDB-GOSISDBHSA-N 1 3 335.467 2.509 20 0 EFADHO Cc1ccc(CN(C)[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1F ZINC001192046267 1292744404 /nfs/dbraw/zinc/74/44/04/1292744404.db2.gz LWMHDEXNSVFFIJ-KRWDZBQOSA-N 1 3 335.467 2.509 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192008336 1292748325 /nfs/dbraw/zinc/74/83/25/1292748325.db2.gz VYZJMHWDANPALB-GOSISDBHSA-N 1 3 347.478 2.531 20 0 EFADHO C[C@H](c1ccc(F)c(F)c1)N(C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152413 1292794130 /nfs/dbraw/zinc/79/41/30/1292794130.db2.gz HBFYNWJZTJXHGO-UKRRQHHQSA-N 1 3 339.430 2.510 20 0 EFADHO CN(C/C=C/c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169566 1292806225 /nfs/dbraw/zinc/80/62/25/1292806225.db2.gz AGOQMVOGSMWKKI-SHCNBLLESA-N 1 3 349.906 2.838 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114841271 1292827479 /nfs/dbraw/zinc/82/74/79/1292827479.db2.gz SEYLTRRWFOFKJL-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21)CC(C)(C)C ZINC001114841271 1292827498 /nfs/dbraw/zinc/82/74/98/1292827498.db2.gz SEYLTRRWFOFKJL-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21)CC(C)(C)C ZINC001114841407 1292827954 /nfs/dbraw/zinc/82/79/54/1292827954.db2.gz VPVWUDFTCLZWIP-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21)CC(C)(C)C ZINC001114841407 1292827972 /nfs/dbraw/zinc/82/79/72/1292827972.db2.gz VPVWUDFTCLZWIP-RUYXUALKSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001192385401 1292886555 /nfs/dbraw/zinc/88/65/55/1292886555.db2.gz HAACVFVYWLPDAD-FKUJVYATSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC/C=C\c2ccccc2)C1)N(C)C ZINC001192385401 1292886568 /nfs/dbraw/zinc/88/65/68/1292886568.db2.gz HAACVFVYWLPDAD-FKUJVYATSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001192385404 1292886841 /nfs/dbraw/zinc/88/68/41/1292886841.db2.gz HAACVFVYWLPDAD-PBBIBXJJSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC/C=C/c2ccccc2)C1)N(C)C ZINC001192385404 1292886858 /nfs/dbraw/zinc/88/68/58/1292886858.db2.gz HAACVFVYWLPDAD-PBBIBXJJSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H](F)CN1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001016760869 1312963896 /nfs/dbraw/zinc/96/38/96/1312963896.db2.gz CXHXXXUAQBFFOF-JKSUJKDBSA-N 1 3 339.499 2.580 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21)CC(C)(C)C ZINC001114849730 1293028867 /nfs/dbraw/zinc/02/88/67/1293028867.db2.gz WSIDPHLBYCCAKT-DZFIZOCASA-N 1 3 347.547 2.591 20 0 EFADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21)CC(C)(C)C ZINC001114849730 1293028875 /nfs/dbraw/zinc/02/88/75/1293028875.db2.gz WSIDPHLBYCCAKT-DZFIZOCASA-N 1 3 347.547 2.591 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001192948033 1293107945 /nfs/dbraw/zinc/10/79/45/1293107945.db2.gz NZPONZBOGJSECV-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001192948033 1293107953 /nfs/dbraw/zinc/10/79/53/1293107953.db2.gz NZPONZBOGJSECV-AZUAARDMSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001192948659 1293108806 /nfs/dbraw/zinc/10/88/06/1293108806.db2.gz UYRBDAOGCCQLLI-SJLPKXTDSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H](C)c2cccc(OC)c2)C1 ZINC001192948659 1293108808 /nfs/dbraw/zinc/10/88/08/1293108808.db2.gz UYRBDAOGCCQLLI-SJLPKXTDSA-N 1 3 347.503 2.631 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001192948036 1293108975 /nfs/dbraw/zinc/10/89/75/1293108975.db2.gz NZPONZBOGJSECV-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCCc3ccccc32)C1 ZINC001192948036 1293108979 /nfs/dbraw/zinc/10/89/79/1293108979.db2.gz NZPONZBOGJSECV-UYAOXDASSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001192970148 1293126956 /nfs/dbraw/zinc/12/69/56/1293126956.db2.gz POTRVGDVNTYUBG-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC001192970148 1293126959 /nfs/dbraw/zinc/12/69/59/1293126959.db2.gz POTRVGDVNTYUBG-HXUWFJFHSA-N 1 3 343.515 2.939 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001192969626 1293127752 /nfs/dbraw/zinc/12/77/52/1293127752.db2.gz LLDYDAUJPHOASR-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCC(F)(F)CC2)C1 ZINC001192969626 1293127757 /nfs/dbraw/zinc/12/77/57/1293127757.db2.gz LLDYDAUJPHOASR-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001192970551 1293128104 /nfs/dbraw/zinc/12/81/04/1293128104.db2.gz VDYXHRGCEKIUSS-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001192970551 1293128105 /nfs/dbraw/zinc/12/81/05/1293128105.db2.gz VDYXHRGCEKIUSS-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C12CCC2 ZINC001203642175 1312979076 /nfs/dbraw/zinc/97/90/76/1312979076.db2.gz WSEIGWYREAZPPQ-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C12CCC2 ZINC001203652406 1312981579 /nfs/dbraw/zinc/98/15/79/1312981579.db2.gz UHJFXDVILBFSJK-ZWKOTPCHSA-N 1 3 329.488 2.545 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CCc2ccccc2)C12CCC2 ZINC001203652557 1312981610 /nfs/dbraw/zinc/98/16/10/1312981610.db2.gz VPKKBHVXHIPJHP-RBUKOAKNSA-N 1 3 343.515 2.588 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C)C12CCC2 ZINC001203652084 1312981722 /nfs/dbraw/zinc/98/17/22/1312981722.db2.gz RJBLONHXWHJOLM-OALUTQOASA-N 1 3 343.515 2.854 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC=C(Cl)Cl)C12CCC2 ZINC001203652369 1312981812 /nfs/dbraw/zinc/98/18/12/1312981812.db2.gz UEFSUDDMNGYSHU-QWHCGFSZSA-N 1 3 348.318 2.664 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C12CCC2 ZINC001203662037 1312984242 /nfs/dbraw/zinc/98/42/42/1312984242.db2.gz XMGFJCGXPWEBCX-IAGOWNOFSA-N 1 3 332.492 2.714 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001193278615 1293231037 /nfs/dbraw/zinc/23/10/37/1293231037.db2.gz IFIKWOJDMHKBGY-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)[C@H](C)c2cccc(F)c2)C1 ZINC001193278615 1293231040 /nfs/dbraw/zinc/23/10/40/1293231040.db2.gz IFIKWOJDMHKBGY-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001193292668 1293240298 /nfs/dbraw/zinc/24/02/98/1293240298.db2.gz RMJAMICENBKRAY-KRWDZBQOSA-N 1 3 343.471 2.807 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)Cc2cc3ccccc3o2)C1 ZINC001193292668 1293240303 /nfs/dbraw/zinc/24/03/03/1293240303.db2.gz RMJAMICENBKRAY-KRWDZBQOSA-N 1 3 343.471 2.807 20 0 EFADHO CN(C)[C@@](C)(C(=O)N1CC[C@@H](N(C)C/C=C/Cl)C1)c1ccccc1 ZINC001193408034 1293282694 /nfs/dbraw/zinc/28/26/94/1293282694.db2.gz BYCIYJNNLJYGOV-PWNOGMSSSA-N 1 3 349.906 2.749 20 0 EFADHO CN(C/C=C/Cl)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001193408034 1293282700 /nfs/dbraw/zinc/28/27/00/1293282700.db2.gz BYCIYJNNLJYGOV-PWNOGMSSSA-N 1 3 349.906 2.749 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193558983 1293360334 /nfs/dbraw/zinc/36/03/34/1293360334.db2.gz GJGLKZBSBWZLNK-GOSISDBHSA-N 1 3 335.467 2.590 20 0 EFADHO CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001016819668 1312996621 /nfs/dbraw/zinc/99/66/21/1312996621.db2.gz LTHHBTHJVCGEBN-BEFAXECRSA-N 1 3 339.499 2.580 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2CC)C1 ZINC001193623097 1293373482 /nfs/dbraw/zinc/37/34/82/1293373482.db2.gz XSIWXKBUBOUDRK-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2CC)C1 ZINC001193623097 1293373485 /nfs/dbraw/zinc/37/34/85/1293373485.db2.gz XSIWXKBUBOUDRK-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)sc2C)C1 ZINC001193640836 1293379148 /nfs/dbraw/zinc/37/91/48/1293379148.db2.gz FQLHLPIXAMJYFM-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)sc2C)C1 ZINC001193640836 1293379157 /nfs/dbraw/zinc/37/91/57/1293379157.db2.gz FQLHLPIXAMJYFM-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001193642459 1293381210 /nfs/dbraw/zinc/38/12/10/1293381210.db2.gz OSIXZQCKFGRPAO-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001193642459 1293381218 /nfs/dbraw/zinc/38/12/18/1293381218.db2.gz OSIXZQCKFGRPAO-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001193642410 1293381840 /nfs/dbraw/zinc/38/18/40/1293381840.db2.gz NRSQCKAXLTWRJG-FUHWJXTLSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2cccc(OC)c2)C1 ZINC001193642410 1293381849 /nfs/dbraw/zinc/38/18/49/1293381849.db2.gz NRSQCKAXLTWRJG-FUHWJXTLSA-N 1 3 347.503 2.631 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001193643571 1293383508 /nfs/dbraw/zinc/38/35/08/1293383508.db2.gz WXXYICFEYRIKDV-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H]2CCCC(F)(F)C2)C1 ZINC001193643571 1293383517 /nfs/dbraw/zinc/38/35/17/1293383517.db2.gz WXXYICFEYRIKDV-HZPDHXFCSA-N 1 3 345.478 2.686 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001193643721 1293384932 /nfs/dbraw/zinc/38/49/32/1293384932.db2.gz ZKQPERKHBNCVJX-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H]2CCc3c2cccc3F)C1 ZINC001193643721 1293384941 /nfs/dbraw/zinc/38/49/41/1293384941.db2.gz ZKQPERKHBNCVJX-DNVCBOLYSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CC23CC[NH+](CCCC2CCC2)CC3)C1 ZINC001016828101 1313000191 /nfs/dbraw/zinc/00/01/91/1313000191.db2.gz CLDIXSXDTBJXBH-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001016828457 1313000298 /nfs/dbraw/zinc/00/02/98/1313000298.db2.gz FVGBLIIMQZURHL-WMZOPIPTSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001016830842 1313001510 /nfs/dbraw/zinc/00/15/10/1313001510.db2.gz WRBLPNKRKIYGLD-PKOBYXMFSA-N 1 3 345.531 2.942 20 0 EFADHO COC(=O)CC[N@H+](CCCN(C)C)Cc1cc(C)c(OC)cc1C ZINC001203754673 1313006748 /nfs/dbraw/zinc/00/67/48/1313006748.db2.gz RHXLQUSAMXXGIE-UHFFFAOYSA-N 1 3 336.476 2.629 20 0 EFADHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1cc(C)c(OC)cc1C ZINC001203754673 1313006750 /nfs/dbraw/zinc/00/67/50/1313006750.db2.gz RHXLQUSAMXXGIE-UHFFFAOYSA-N 1 3 336.476 2.629 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226745 1293561050 /nfs/dbraw/zinc/56/10/50/1293561050.db2.gz GIDGLHDUSZOBFI-LJQANCHMSA-N 1 3 347.478 2.734 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]([NH2+]CCCF)C23CCC3)c1 ZINC001203773327 1313011809 /nfs/dbraw/zinc/01/18/09/1313011809.db2.gz VLOSSUZECJEZGU-ZWKOTPCHSA-N 1 3 347.478 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCCc2ccsc2)C1 ZINC001194284704 1293586606 /nfs/dbraw/zinc/58/66/06/1293586606.db2.gz MFQGORVNDLYOIT-KRWDZBQOSA-N 1 3 337.533 2.554 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCc2ccsc2)C1 ZINC001194284704 1293586612 /nfs/dbraw/zinc/58/66/12/1293586612.db2.gz MFQGORVNDLYOIT-KRWDZBQOSA-N 1 3 337.533 2.554 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194284765 1293586881 /nfs/dbraw/zinc/58/68/81/1293586881.db2.gz NDSRHYDEJGMLGI-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1cccc(CCC[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C(C)C)C2)c1 ZINC001194284765 1293586888 /nfs/dbraw/zinc/58/68/88/1293586888.db2.gz NDSRHYDEJGMLGI-HXUWFJFHSA-N 1 3 345.531 2.801 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285849 1293588581 /nfs/dbraw/zinc/58/85/81/1293588581.db2.gz SUZKKWKROUHKPD-ROUUACIJSA-N 1 3 331.504 2.929 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194285849 1293588585 /nfs/dbraw/zinc/58/85/85/1293588585.db2.gz SUZKKWKROUHKPD-ROUUACIJSA-N 1 3 331.504 2.929 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCc2cccc(F)c2)C1 ZINC001194285858 1293589171 /nfs/dbraw/zinc/58/91/71/1293589171.db2.gz SYKAFGMRXWQWHP-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCc2cccc(F)c2)C1 ZINC001194285858 1293589173 /nfs/dbraw/zinc/58/91/73/1293589173.db2.gz SYKAFGMRXWQWHP-LJQANCHMSA-N 1 3 349.494 2.631 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001194292605 1293589615 /nfs/dbraw/zinc/58/96/15/1293589615.db2.gz AWROTYSCRBRILW-QAPCUYQASA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001194292605 1293589617 /nfs/dbraw/zinc/58/96/17/1293589617.db2.gz AWROTYSCRBRILW-QAPCUYQASA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001194292545 1293589831 /nfs/dbraw/zinc/58/98/31/1293589831.db2.gz ADDVWJMZSRKDGA-MAUKXSAKSA-N 1 3 335.467 2.760 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001194292545 1293589834 /nfs/dbraw/zinc/58/98/34/1293589834.db2.gz ADDVWJMZSRKDGA-MAUKXSAKSA-N 1 3 335.467 2.760 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001194293370 1293590405 /nfs/dbraw/zinc/59/04/05/1293590405.db2.gz GYAMKQDUFZOLEO-KRWDZBQOSA-N 1 3 337.533 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)CN(C)C(C)C)C2)c(C)s1 ZINC001194293370 1293590409 /nfs/dbraw/zinc/59/04/09/1293590409.db2.gz GYAMKQDUFZOLEO-KRWDZBQOSA-N 1 3 337.533 2.738 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001194293097 1293590841 /nfs/dbraw/zinc/59/08/41/1293590841.db2.gz FEAKYHSNDWQIGK-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001194293097 1293590845 /nfs/dbraw/zinc/59/08/45/1293590845.db2.gz FEAKYHSNDWQIGK-MJGOQNOKSA-N 1 3 329.488 2.547 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001194294227 1293591711 /nfs/dbraw/zinc/59/17/11/1293591711.db2.gz LBZLUCWBGXICSM-MJGOQNOKSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccc(F)cc32)C1 ZINC001194294227 1293591716 /nfs/dbraw/zinc/59/17/16/1293591716.db2.gz LBZLUCWBGXICSM-MJGOQNOKSA-N 1 3 347.478 2.686 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001194294214 1293592331 /nfs/dbraw/zinc/59/23/31/1293592331.db2.gz LAXZCNSCWXPTAI-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC[C@@H]2CCCC2(F)F)C1 ZINC001194294214 1293592335 /nfs/dbraw/zinc/59/23/35/1293592335.db2.gz LAXZCNSCWXPTAI-JKSUJKDBSA-N 1 3 345.478 2.685 20 0 EFADHO CC(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001016862382 1313016030 /nfs/dbraw/zinc/01/60/30/1313016030.db2.gz XQPLNPFXIPMIOO-ROUUACIJSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C12CCC2 ZINC001203790923 1313016138 /nfs/dbraw/zinc/01/61/38/1313016138.db2.gz AJJSFTBOPRHQTE-MSOLQXFVSA-N 1 3 333.520 2.844 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C12CCC2 ZINC001203791108 1313016431 /nfs/dbraw/zinc/01/64/31/1313016431.db2.gz CNOYFEHLDXNQQB-OALUTQOASA-N 1 3 343.515 2.852 20 0 EFADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C12CCC2 ZINC001203794131 1313017923 /nfs/dbraw/zinc/01/79/23/1313017923.db2.gz UZTWAMCPINKWIL-CVEARBPZSA-N 1 3 335.517 2.605 20 0 EFADHO CC(C)=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568086 1313029821 /nfs/dbraw/zinc/02/98/21/1313029821.db2.gz RHAAOVQTGOUQNY-ROUUACIJSA-N 1 3 331.504 2.646 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203853538 1313032024 /nfs/dbraw/zinc/03/20/24/1313032024.db2.gz SSTNZXCOTHDRKS-QDWHXFPMSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(NC/C(Cl)=C/Cl)CC1 ZINC001203853538 1313032029 /nfs/dbraw/zinc/03/20/29/1313032029.db2.gz SSTNZXCOTHDRKS-QDWHXFPMSA-N 1 3 348.318 2.759 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001203853536 1313032076 /nfs/dbraw/zinc/03/20/76/1313032076.db2.gz SSTNZXCOTHDRKS-OVAFBMODSA-N 1 3 348.318 2.759 20 0 EFADHO CC(C)=CCN1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568084 1313029873 /nfs/dbraw/zinc/02/98/73/1313029873.db2.gz RHAAOVQTGOUQNY-MSOLQXFVSA-N 1 3 331.504 2.646 20 0 EFADHO C[C@@H](F)CC[NH2+]C1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001203904024 1313044917 /nfs/dbraw/zinc/04/49/17/1313044917.db2.gz QMZPBKRLHLNAFM-OAHLLOKOSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000884218705 1294052838 /nfs/dbraw/zinc/05/28/38/1294052838.db2.gz WMUVEIDUTWGHTP-AYOQOUSVSA-N 1 3 329.488 2.625 20 0 EFADHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000884218705 1294052848 /nfs/dbraw/zinc/05/28/48/1294052848.db2.gz WMUVEIDUTWGHTP-AYOQOUSVSA-N 1 3 329.488 2.625 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203924897 1313048411 /nfs/dbraw/zinc/04/84/11/1313048411.db2.gz GYXNXOGPBMLYAV-UHFFFAOYSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925591 1313048495 /nfs/dbraw/zinc/04/84/95/1313048495.db2.gz SSYCRSGVMPZYIS-UHFFFAOYSA-N 1 3 335.467 2.555 20 0 EFADHO CCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010000 1294103110 /nfs/dbraw/zinc/10/31/10/1294103110.db2.gz IPMCXHUMFCQXGE-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO CCCCCC[N@H+]1CCCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001196010000 1294103112 /nfs/dbraw/zinc/10/31/12/1294103112.db2.gz IPMCXHUMFCQXGE-QGZVFWFLSA-N 1 3 329.504 2.781 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCC1)CC2 ZINC001016949104 1313055070 /nfs/dbraw/zinc/05/50/70/1313055070.db2.gz ABZDAUVSVYTAIB-SFHVURJKSA-N 1 3 344.503 2.812 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001196340193 1294203023 /nfs/dbraw/zinc/20/30/23/1294203023.db2.gz FROSJJFKCGXJIF-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001196340193 1294203029 /nfs/dbraw/zinc/20/30/29/1294203029.db2.gz FROSJJFKCGXJIF-FGTMMUONSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[NH+]1CCC2(C[C@H]2NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001016982507 1313071305 /nfs/dbraw/zinc/07/13/05/1313071305.db2.gz IGWXXNHEJNIJCT-GOSISDBHSA-N 1 3 329.488 2.741 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCCN(CC[C@H]2CCCC2(F)F)CC1 ZINC001196970473 1294413581 /nfs/dbraw/zinc/41/35/81/1294413581.db2.gz GQZRQNMIGJYIJP-MRXNPFEDSA-N 1 3 345.478 2.688 20 0 EFADHO CC[C@@H](C(=O)N1CCCN(CC2CC(F)(F)C2)CC1)[NH+](CC)CC ZINC001197141668 1294458713 /nfs/dbraw/zinc/45/87/13/1294458713.db2.gz LTDLWOQMWWCYSX-INIZCTEOSA-N 1 3 345.478 2.686 20 0 EFADHO CC[C@H](C(=O)N1CCCN(CC2CC(F)(F)C2)CC1)[NH+](CC)CC ZINC001197141669 1294458726 /nfs/dbraw/zinc/45/87/26/1294458726.db2.gz LTDLWOQMWWCYSX-MRXNPFEDSA-N 1 3 345.478 2.686 20 0 EFADHO CC(C)[NH2+]C[C@H]1c2ccccc2CCN1C(=O)C1(N(C)C)CCC1 ZINC000958791344 1294489945 /nfs/dbraw/zinc/48/99/45/1294489945.db2.gz PLTOROUPLFTSDE-SFHVURJKSA-N 1 3 329.488 2.595 20 0 EFADHO CN(C)C1(C(=O)N2CCc3ccccc3[C@@H]2C[NH2+]CC2CC2)CCC1 ZINC000958791137 1294490036 /nfs/dbraw/zinc/49/00/36/1294490036.db2.gz NHWBIAWYLRSFDS-IBGZPJMESA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396535 1294527845 /nfs/dbraw/zinc/52/78/45/1294527845.db2.gz DEAUDOQWGABSHJ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396535 1294527850 /nfs/dbraw/zinc/52/78/50/1294527850.db2.gz DEAUDOQWGABSHJ-RBUKOAKNSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396534 1294528525 /nfs/dbraw/zinc/52/85/25/1294528525.db2.gz DEAUDOQWGABSHJ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)CCCN1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396534 1294528533 /nfs/dbraw/zinc/52/85/33/1294528533.db2.gz DEAUDOQWGABSHJ-OALUTQOASA-N 1 3 335.536 2.974 20 0 EFADHO Cc1ncc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)s1 ZINC001276349066 1294530589 /nfs/dbraw/zinc/53/05/89/1294530589.db2.gz HUIVHPXQBHRMAE-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)s1 ZINC001276349066 1294530598 /nfs/dbraw/zinc/53/05/98/1294530598.db2.gz HUIVHPXQBHRMAE-UHFFFAOYSA-N 1 3 336.549 2.691 20 0 EFADHO Cc1ncc(CN2CCC3(CC[N@H+](CCn4ccnc4)C3)CC2)s1 ZINC001276349816 1294542729 /nfs/dbraw/zinc/54/27/29/1294542729.db2.gz YUMPIQNUMIWHAN-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO Cc1ncc(CN2CCC3(CC[N@@H+](CCn4ccnc4)C3)CC2)s1 ZINC001276349816 1294542737 /nfs/dbraw/zinc/54/27/37/1294542737.db2.gz YUMPIQNUMIWHAN-UHFFFAOYSA-N 1 3 345.516 2.636 20 0 EFADHO C[C@@H](CN1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2)CC(F)(F)F ZINC001273747613 1294603863 /nfs/dbraw/zinc/60/38/63/1294603863.db2.gz PWXMHEBMQHGVCH-ZBFHGGJFSA-N 1 3 349.441 2.594 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615074 1313089539 /nfs/dbraw/zinc/08/95/39/1313089539.db2.gz HNGNUIASYIDYGR-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)N1CCCC1 ZINC001049615074 1313089542 /nfs/dbraw/zinc/08/95/42/1313089542.db2.gz HNGNUIASYIDYGR-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)N1CCN(C2CC[NH+](C[C@@H]3CCC4(CCC4)CO3)CC2)CC1 ZINC000886094466 1294671628 /nfs/dbraw/zinc/67/16/28/1294671628.db2.gz SLDNIXPHKSVAPK-FQEVSTJZSA-N 1 3 349.563 2.826 20 0 EFADHO COCC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001204165700 1313094261 /nfs/dbraw/zinc/09/42/61/1313094261.db2.gz FNHUCMUNYITOMO-NHCUHLMSSA-N 1 3 346.515 2.979 20 0 EFADHO COCC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C(C)C)cc3)CC[C@@H]2C1 ZINC001204165700 1313094265 /nfs/dbraw/zinc/09/42/65/1313094265.db2.gz FNHUCMUNYITOMO-NHCUHLMSSA-N 1 3 346.515 2.979 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCCN(CCCCCF)CC2)C1 ZINC001197809641 1294725134 /nfs/dbraw/zinc/72/51/34/1294725134.db2.gz FGOSIBJLDDIGJW-MSOLQXFVSA-N 1 3 341.515 2.781 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001197907988 1294797270 /nfs/dbraw/zinc/79/72/70/1294797270.db2.gz NYNVIXMFZDVFPR-FQEVSTJZSA-N 1 3 343.515 2.940 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCN([C@H]2CCc3ccccc32)CC1 ZINC001197907988 1294797282 /nfs/dbraw/zinc/79/72/82/1294797282.db2.gz NYNVIXMFZDVFPR-FQEVSTJZSA-N 1 3 343.515 2.940 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006403169 1294818888 /nfs/dbraw/zinc/81/88/88/1294818888.db2.gz YSKAJTNUMUSMPX-DOTOQJQBSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H](c1cccc(F)c1)N1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001006403169 1294818900 /nfs/dbraw/zinc/81/89/00/1294818900.db2.gz YSKAJTNUMUSMPX-DOTOQJQBSA-N 1 3 347.478 2.761 20 0 EFADHO C[C@@H]([NH2+]CCNC(=O)c1ccccc1CN(C)C)c1ccccc1 ZINC001152384551 1294825502 /nfs/dbraw/zinc/82/55/02/1294825502.db2.gz TULLVCGYLVRFJP-MRXNPFEDSA-N 1 3 325.456 2.829 20 0 EFADHO CN1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)C1 ZINC001276450755 1313107241 /nfs/dbraw/zinc/10/72/41/1313107241.db2.gz KFIUKDRCEQWXHN-HXUWFJFHSA-N 1 3 341.455 2.954 20 0 EFADHO CN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(O)c4[nH]c(=O)ccc34)C2)C1 ZINC001276450755 1313107243 /nfs/dbraw/zinc/10/72/43/1313107243.db2.gz KFIUKDRCEQWXHN-HXUWFJFHSA-N 1 3 341.455 2.954 20 0 EFADHO COC(=O)C1(C)CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204267168 1313111698 /nfs/dbraw/zinc/11/16/98/1313111698.db2.gz FKBXZHHCYOGOMP-UHFFFAOYSA-N 1 3 348.487 2.792 20 0 EFADHO CCCCN1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204269049 1313112654 /nfs/dbraw/zinc/11/26/54/1313112654.db2.gz UAAQOFXLPVQWGP-UHFFFAOYSA-N 1 3 333.520 2.935 20 0 EFADHO CN(CCOc1ccccc1Cl)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718886 1313113021 /nfs/dbraw/zinc/11/30/21/1313113021.db2.gz SUKQWLGGWIBZBC-OAHLLOKOSA-N 1 3 338.879 2.809 20 0 EFADHO CN(CCOc1cccc(Cl)c1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718843 1313113139 /nfs/dbraw/zinc/11/31/39/1313113139.db2.gz RYFQWEYYYYAZNH-KRWDZBQOSA-N 1 3 338.879 2.809 20 0 EFADHO COC(=O)[C@H]1CCCN(Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204272578 1313113316 /nfs/dbraw/zinc/11/33/16/1313113316.db2.gz QPMJQZNDJMSFNO-SFHVURJKSA-N 1 3 348.487 2.792 20 0 EFADHO CN(C(=O)CN1CCCC1)C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001006407247 1294943462 /nfs/dbraw/zinc/94/34/62/1294943462.db2.gz LDDMUPNXXHLUCJ-UHFFFAOYSA-N 1 3 347.478 2.675 20 0 EFADHO CC(C)N(C)CC(=O)NCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001152433185 1294969136 /nfs/dbraw/zinc/96/91/36/1294969136.db2.gz WPZQSGMCRHHNEW-CYBMUJFWSA-N 1 3 345.409 2.812 20 0 EFADHO COC(=O)/C=C/c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001276452050 1313118506 /nfs/dbraw/zinc/11/85/06/1313118506.db2.gz RCTQZJHRYYNEAA-IBDYFIJFSA-N 1 3 328.456 2.791 20 0 EFADHO COC(=O)/C=C/c1ccc(C[N@H+]2CCC[C@@]3(CCN(C)C3)C2)cc1 ZINC001276452050 1313118508 /nfs/dbraw/zinc/11/85/08/1313118508.db2.gz RCTQZJHRYYNEAA-IBDYFIJFSA-N 1 3 328.456 2.791 20 0 EFADHO CC[NH+]1CCC(NC(=O)CN2CC[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000886545683 1295010928 /nfs/dbraw/zinc/01/09/28/1295010928.db2.gz PWENSGWNGDCIEN-OXJNMPFZSA-N 1 3 329.488 2.670 20 0 EFADHO CN(C[C@H]1CCCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000903726261 1313123656 /nfs/dbraw/zinc/12/36/56/1313123656.db2.gz LLBVSIKIAHKOKP-KRWDZBQOSA-N 1 3 329.488 2.613 20 0 EFADHO CCC/C=C/CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001234416281 1313124156 /nfs/dbraw/zinc/12/41/56/1313124156.db2.gz ZQPNFTUUEUDMMG-PEEKWUTASA-N 1 3 335.536 2.996 20 0 EFADHO CCC/C=C/CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001234416281 1313124159 /nfs/dbraw/zinc/12/41/59/1313124159.db2.gz ZQPNFTUUEUDMMG-PEEKWUTASA-N 1 3 335.536 2.996 20 0 EFADHO CN1c2ccccc2C[C@H](NC2CCC(C)([NH+]3CCCC3)CC2)C1=O ZINC000886636504 1295075400 /nfs/dbraw/zinc/07/54/00/1295075400.db2.gz PBEHSTFCXWCXQV-WBTXTPOCSA-N 1 3 341.499 2.961 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCCc1ccc(C)cc1 ZINC001152458627 1295101981 /nfs/dbraw/zinc/10/19/81/1295101981.db2.gz RUXLXQFSISXFBN-IBGZPJMESA-N 1 3 331.504 2.508 20 0 EFADHO COCCOCN[C@@]12CC[C@@]([NH2+]Cc3sncc3C)(C1)CCC2 ZINC001276461731 1313134676 /nfs/dbraw/zinc/13/46/76/1313134676.db2.gz LRQFTSGBVCRCOO-SJORKVTESA-N 1 3 339.505 2.597 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198752751 1295232901 /nfs/dbraw/zinc/23/29/01/1295232901.db2.gz URMRYLXEWXULIC-ZWKOTPCHSA-N 1 3 347.503 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198752751 1295232906 /nfs/dbraw/zinc/23/29/06/1295232906.db2.gz URMRYLXEWXULIC-ZWKOTPCHSA-N 1 3 347.503 2.725 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198752749 1295233694 /nfs/dbraw/zinc/23/36/94/1295233694.db2.gz URMRYLXEWXULIC-ROUUACIJSA-N 1 3 347.503 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198752749 1295233703 /nfs/dbraw/zinc/23/37/03/1295233703.db2.gz URMRYLXEWXULIC-ROUUACIJSA-N 1 3 347.503 2.725 20 0 EFADHO C[NH+](C)CCN1CC[C@]2(C1)CCCN(Cc1ccc(Cl)o1)C2 ZINC001276462663 1313137104 /nfs/dbraw/zinc/13/71/04/1313137104.db2.gz UXJAOEHIPDFAEY-KRWDZBQOSA-N 1 3 325.884 2.783 20 0 EFADHO CCCC[NH2+][C@H](CNC(=O)[C@@H](C1CC1)N(C)C)c1ccccc1OC ZINC001198759998 1295236902 /nfs/dbraw/zinc/23/69/02/1295236902.db2.gz OUCJPCAKUVQORM-IEBWSBKVSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1OC ZINC001198759793 1295236959 /nfs/dbraw/zinc/23/69/59/1295236959.db2.gz MVRPAOANINZHNY-AEFFLSMTSA-N 1 3 347.503 2.727 20 0 EFADHO CCCN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198759793 1295236968 /nfs/dbraw/zinc/23/69/68/1295236968.db2.gz MVRPAOANINZHNY-AEFFLSMTSA-N 1 3 347.503 2.727 20 0 EFADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)C)c1ccccc1OC)N(C)C ZINC001198777089 1295248176 /nfs/dbraw/zinc/24/81/76/1295248176.db2.gz WXZCEZGAPMRUGS-QZTJIDSGSA-N 1 3 349.519 2.828 20 0 EFADHO CCCN[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1OC ZINC001198826729 1295252258 /nfs/dbraw/zinc/25/22/58/1295252258.db2.gz MMJKLASONRZSPZ-KRWDZBQOSA-N 1 3 347.503 2.727 20 0 EFADHO COc1ccccc1[C@@H](CNC(=O)CCC[NH+](C)C)NCCC(C)C ZINC001198864525 1295277407 /nfs/dbraw/zinc/27/74/07/1295277407.db2.gz BDVARFSFWLPQRK-GOSISDBHSA-N 1 3 349.519 2.830 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1OC)N(C)C ZINC001198902001 1295302500 /nfs/dbraw/zinc/30/25/00/1295302500.db2.gz CHSDECBURJJSLD-MSOLQXFVSA-N 1 3 347.503 2.582 20 0 EFADHO CCCN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1OC ZINC001198925817 1295335764 /nfs/dbraw/zinc/33/57/64/1295335764.db2.gz YBJKQELNRPGTRF-SFHVURJKSA-N 1 3 347.503 2.584 20 0 EFADHO Cc1nc2c(s1)[C@@H](N(C)C[C@H]1CC3(CO1)CC[NH2+]CC3)CCC2 ZINC000903739203 1313144785 /nfs/dbraw/zinc/14/47/85/1313144785.db2.gz FCZIOOVUAYVMIF-ZBFHGGJFSA-N 1 3 335.517 2.919 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198967580 1295363675 /nfs/dbraw/zinc/36/36/75/1295363675.db2.gz JSBZLQQPSAFRNI-KRWDZBQOSA-N 1 3 335.492 2.582 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H](NC(C)C)c1ccccc1OC ZINC001198967580 1295363687 /nfs/dbraw/zinc/36/36/87/1295363687.db2.gz JSBZLQQPSAFRNI-KRWDZBQOSA-N 1 3 335.492 2.582 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]([NH2+]C[C@@H](C)CC)c1ccccc1OC ZINC001198968932 1295365300 /nfs/dbraw/zinc/36/53/00/1295365300.db2.gz PVARQYUVZUDNOP-FUHWJXTLSA-N 1 3 349.519 2.830 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+]C[C@@H](C)CC)c1ccccc1OC ZINC001198968934 1295365999 /nfs/dbraw/zinc/36/59/99/1295365999.db2.gz PVARQYUVZUDNOP-WMZOPIPTSA-N 1 3 349.519 2.830 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCCCC(F)(F)F)CC1 ZINC001203925558 1295415959 /nfs/dbraw/zinc/41/59/59/1295415959.db2.gz SEGFOJBUHZZIQN-UHFFFAOYSA-N 1 3 337.430 2.640 20 0 EFADHO Cc1ccc(CCC[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1 ZINC001203925554 1295416297 /nfs/dbraw/zinc/41/62/97/1295416297.db2.gz SBKXOOVXAHVFBO-UHFFFAOYSA-N 1 3 345.531 2.848 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472925 1313163009 /nfs/dbraw/zinc/16/30/09/1313163009.db2.gz RXGMJLWGQVVZGJ-WCIQWLHISA-N 1 3 347.547 2.711 20 0 EFADHO CC1=C[C@@H](C)[C@H](C[N@@H+]2C[C@@H]3CCN(CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001276472925 1313163011 /nfs/dbraw/zinc/16/30/11/1313163011.db2.gz RXGMJLWGQVVZGJ-WCIQWLHISA-N 1 3 347.547 2.711 20 0 EFADHO Cc1nn(C)cc1CN1CCC2(CC[N@H+](Cc3ccoc3)C2)CC1 ZINC001204579446 1313168312 /nfs/dbraw/zinc/16/83/12/1313168312.db2.gz KAPVGMQNRSJMHU-UHFFFAOYSA-N 1 3 328.460 2.810 20 0 EFADHO Cc1nn(C)cc1CN1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001204579446 1313168314 /nfs/dbraw/zinc/16/83/14/1313168314.db2.gz KAPVGMQNRSJMHU-UHFFFAOYSA-N 1 3 328.460 2.810 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1 ZINC001234642784 1313175916 /nfs/dbraw/zinc/17/59/16/1313175916.db2.gz KWHOCOHWVRUWTM-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001234642784 1313175919 /nfs/dbraw/zinc/17/59/19/1313175919.db2.gz KWHOCOHWVRUWTM-ROUUACIJSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001234644378 1313176374 /nfs/dbraw/zinc/17/63/74/1313176374.db2.gz UARBQJVQYYNUTH-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234644378 1313176378 /nfs/dbraw/zinc/17/63/78/1313176378.db2.gz UARBQJVQYYNUTH-IAGOWNOFSA-N 1 3 341.515 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001234643344 1313176918 /nfs/dbraw/zinc/17/69/18/1313176918.db2.gz OEGIESUMWVKGCM-JKSUJKDBSA-N 1 3 329.504 2.635 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001234643344 1313176920 /nfs/dbraw/zinc/17/69/20/1313176920.db2.gz OEGIESUMWVKGCM-JKSUJKDBSA-N 1 3 329.504 2.635 20 0 EFADHO Cc1cccc(CCC[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001199787596 1295751235 /nfs/dbraw/zinc/75/12/35/1295751235.db2.gz BSCIQHIEYVAZST-FQEVSTJZSA-N 1 3 343.515 2.602 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1 ZINC001199788766 1295752864 /nfs/dbraw/zinc/75/28/64/1295752864.db2.gz ZOMZHUFSTSPCMJ-FQEVSTJZSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccccc1CCC[NH2+]C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001199788460 1295753245 /nfs/dbraw/zinc/75/32/45/1295753245.db2.gz QTPVQPXOBOKJEC-HXUWFJFHSA-N 1 3 343.515 2.602 20 0 EFADHO Fc1ccc([C@@H]2CCCN(C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)cc1F ZINC000903770273 1313183613 /nfs/dbraw/zinc/18/36/13/1313183613.db2.gz WGAYDQGVJDFLQU-GPMSIDNRSA-N 1 3 336.426 2.913 20 0 EFADHO Fc1ccc([C@@H]2CCCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)cc1F ZINC000903770272 1313183830 /nfs/dbraw/zinc/18/38/30/1313183830.db2.gz WGAYDQGVJDFLQU-GJYPPUQNSA-N 1 3 336.426 2.913 20 0 EFADHO CCC[N@H+](C[C@H](O)CN(C)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001412951360 1295933573 /nfs/dbraw/zinc/93/35/73/1295933573.db2.gz TVAXAEFTGQWXMG-LEWJYISDSA-N 1 3 347.547 2.676 20 0 EFADHO CCC[N@@H+](C[C@H](O)CN(C)CC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001412951360 1295933577 /nfs/dbraw/zinc/93/35/77/1295933577.db2.gz TVAXAEFTGQWXMG-LEWJYISDSA-N 1 3 347.547 2.676 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869615 1313204477 /nfs/dbraw/zinc/20/44/77/1313204477.db2.gz FTCGLVBVHTWGBP-NXHRZFHOSA-N 1 3 337.458 2.684 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869615 1313204480 /nfs/dbraw/zinc/20/44/80/1313204480.db2.gz FTCGLVBVHTWGBP-NXHRZFHOSA-N 1 3 337.458 2.684 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001204869614 1313204775 /nfs/dbraw/zinc/20/47/75/1313204775.db2.gz FTCGLVBVHTWGBP-KBAYOESNSA-N 1 3 337.458 2.684 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001204869614 1313204778 /nfs/dbraw/zinc/20/47/78/1313204778.db2.gz FTCGLVBVHTWGBP-KBAYOESNSA-N 1 3 337.458 2.684 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017153416 1313209174 /nfs/dbraw/zinc/20/91/74/1313209174.db2.gz ORGNSYGNQOAJDP-RTBURBONSA-N 1 3 331.504 2.697 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2)C1)N(C)C ZINC001017153416 1313209177 /nfs/dbraw/zinc/20/91/77/1313209177.db2.gz ORGNSYGNQOAJDP-RTBURBONSA-N 1 3 331.504 2.697 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)N(C)C ZINC001049706485 1313203465 /nfs/dbraw/zinc/20/34/65/1313203465.db2.gz ZJKOHXDQBOGSQJ-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCC1)N(C)C ZINC001049706485 1313203468 /nfs/dbraw/zinc/20/34/68/1313203468.db2.gz ZJKOHXDQBOGSQJ-IPMKNSEASA-N 1 3 335.536 2.828 20 0 EFADHO CCSCCN1CCC[C@@]2(CCC[N@H+](CCn3ccnc3)C2)C1 ZINC001277916582 1313224915 /nfs/dbraw/zinc/22/49/15/1313224915.db2.gz KZLKCTKRKQLNRZ-GOSISDBHSA-N 1 3 336.549 2.814 20 0 EFADHO CCSCCN1CCC[C@@]2(CCC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277916582 1313224919 /nfs/dbraw/zinc/22/49/19/1313224919.db2.gz KZLKCTKRKQLNRZ-GOSISDBHSA-N 1 3 336.549 2.814 20 0 EFADHO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794434 1313224983 /nfs/dbraw/zinc/22/49/83/1313224983.db2.gz VENHUJMQYFVVKH-HDICACEKSA-N 1 3 343.515 2.768 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1Cl ZINC000959924982 1296242497 /nfs/dbraw/zinc/24/24/97/1296242497.db2.gz KHPAQVCBPQGVJR-WMZOPIPTSA-N 1 3 349.906 2.905 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000959928262 1296247922 /nfs/dbraw/zinc/24/79/22/1296247922.db2.gz WXKRXKQKQFMYJY-ROUUACIJSA-N 1 3 349.906 2.905 20 0 EFADHO Fc1cccc(CC[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001276479313 1313235115 /nfs/dbraw/zinc/23/51/15/1313235115.db2.gz WMNPLAZRTMCGBZ-UHFFFAOYSA-N 1 3 342.462 2.663 20 0 EFADHO CCOC(=O)c1[nH]c(C)c(CN2CCC3(CC[NH2+]CC3)CC2)c1C ZINC001235135297 1313249559 /nfs/dbraw/zinc/24/95/59/1313249559.db2.gz NNBGXRYHCPGVCT-UHFFFAOYSA-N 1 3 333.476 2.774 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(C)c1)N(C)C ZINC000960041644 1296393807 /nfs/dbraw/zinc/39/38/07/1296393807.db2.gz BQXVUOJOQAPEHT-RBUKOAKNSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1C)N(C)C ZINC000960041843 1296394872 /nfs/dbraw/zinc/39/48/72/1296394872.db2.gz FBHDVDVMZQEWOY-RBUKOAKNSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(CF)cc1)N(C)C ZINC000960042928 1296396705 /nfs/dbraw/zinc/39/67/05/1296396705.db2.gz JDHYROAFFCINHC-RBUKOAKNSA-N 1 3 349.494 2.967 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(C)cc1)N(C)C ZINC000960043127 1296396730 /nfs/dbraw/zinc/39/67/30/1296396730.db2.gz LACDHSKZLRLSPF-RBUKOAKNSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21)N(C)C ZINC000960045015 1296400201 /nfs/dbraw/zinc/40/02/01/1296400201.db2.gz WOHUMIHVJLIWNV-DFQSSKMNSA-N 1 3 343.515 2.985 20 0 EFADHO Cc1c(C)c(CN2CCC[C@@](O)(C[NH3+])CC2)ccc1Br ZINC001205241765 1313258070 /nfs/dbraw/zinc/25/80/70/1313258070.db2.gz VISSTGKXRIGTPQ-INIZCTEOSA-N 1 3 341.293 2.742 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]Cc2ccsc2)C1 ZINC000960130985 1296489857 /nfs/dbraw/zinc/48/98/57/1296489857.db2.gz KWRRORNEYFEVDK-RDJZCZTQSA-N 1 3 335.517 2.561 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(C)ccc1F)N(C)C ZINC000960130222 1296489927 /nfs/dbraw/zinc/48/99/27/1296489927.db2.gz ILTFCDCSTWUWIA-HKUYNNGSSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC000960130205 1296490087 /nfs/dbraw/zinc/49/00/87/1296490087.db2.gz IADAFGHYXFYEDL-ROUUACIJSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)CN2CC[C@H](C)C2)cs1 ZINC000960130448 1296490097 /nfs/dbraw/zinc/49/00/97/1296490097.db2.gz HMKGXYPKANGMOE-YJBOKZPZSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)C1 ZINC000960129970 1296490210 /nfs/dbraw/zinc/49/02/10/1296490210.db2.gz BYYKRIPQKOZHPO-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2=CCCCC2)C1 ZINC000960131858 1296491284 /nfs/dbraw/zinc/49/12/84/1296491284.db2.gz SBEMKYAIMOIPFE-MJGOQNOKSA-N 1 3 333.520 2.799 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000960131608 1296491480 /nfs/dbraw/zinc/49/14/80/1296491480.db2.gz OBWZIJIHTPYMBV-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)c1 ZINC000960150754 1296513240 /nfs/dbraw/zinc/51/32/40/1296513240.db2.gz NFQQQHSGFMPBDF-IBGZPJMESA-N 1 3 340.471 2.740 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@H+](C)CC3CCCC3)C2)C1 ZINC001017208571 1313265512 /nfs/dbraw/zinc/26/55/12/1313265512.db2.gz IOVJXQOVBQSFNO-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[N@@H+](C)CC3CCCC3)C2)C1 ZINC001017208571 1313265516 /nfs/dbraw/zinc/26/55/16/1313265516.db2.gz IOVJXQOVBQSFNO-MJGOQNOKSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208381 1313265957 /nfs/dbraw/zinc/26/59/57/1313265957.db2.gz FYZPCAIEBOZRBO-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001017208381 1313265961 /nfs/dbraw/zinc/26/59/61/1313265961.db2.gz FYZPCAIEBOZRBO-LPHOPBHVSA-N 1 3 341.515 2.778 20 0 EFADHO COc1cc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)cc(OC)c1O ZINC001235230797 1313270534 /nfs/dbraw/zinc/27/05/34/1313270534.db2.gz QSCGFONILFZPRS-MRXNPFEDSA-N 1 3 334.460 2.764 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCCc2ccccc2)CC1)C1CC1 ZINC001201053000 1296565988 /nfs/dbraw/zinc/56/59/88/1296565988.db2.gz ISSJTBMSXUOOKW-HXUWFJFHSA-N 1 3 343.515 2.540 20 0 EFADHO Cc1ccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4CCN(C)C)c2c1 ZINC001276054937 1296584156 /nfs/dbraw/zinc/58/41/56/1296584156.db2.gz NZGWIQPGSWRUKV-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1ccc2[nH]cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4CCN(C)C)c2c1 ZINC001276054937 1296584168 /nfs/dbraw/zinc/58/41/68/1296584168.db2.gz NZGWIQPGSWRUKV-HDICACEKSA-N 1 3 326.488 2.687 20 0 EFADHO Cc1cc(C[N@@H+]2CCC3(C2)CCN(Cc2ccc(C)[nH]2)CC3)n(C)n1 ZINC001276073540 1296592879 /nfs/dbraw/zinc/59/28/79/1296592879.db2.gz AGBODCVRMCPQGW-UHFFFAOYSA-N 1 3 341.503 2.853 20 0 EFADHO Cc1cc(C[N@H+]2CCC3(C2)CCN(Cc2ccc(C)[nH]2)CC3)n(C)n1 ZINC001276073540 1296592888 /nfs/dbraw/zinc/59/28/88/1296592888.db2.gz AGBODCVRMCPQGW-UHFFFAOYSA-N 1 3 341.503 2.853 20 0 EFADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235259253 1313276872 /nfs/dbraw/zinc/27/68/72/1313276872.db2.gz CKWPTZLPYGNIPI-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235259253 1313276873 /nfs/dbraw/zinc/27/68/73/1313276873.db2.gz CKWPTZLPYGNIPI-OALUTQOASA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017226034 1313278172 /nfs/dbraw/zinc/27/81/72/1313278172.db2.gz ICJSHDZUBWDJTK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017226034 1313278176 /nfs/dbraw/zinc/27/81/76/1313278176.db2.gz ICJSHDZUBWDJTK-OALUTQOASA-N 1 3 335.536 2.830 20 0 EFADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001235262485 1313278309 /nfs/dbraw/zinc/27/83/09/1313278309.db2.gz OYRLWXFNBZBIRB-HMTUNPETSA-N 1 3 335.536 2.853 20 0 EFADHO CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001235262485 1313278313 /nfs/dbraw/zinc/27/83/13/1313278313.db2.gz OYRLWXFNBZBIRB-HMTUNPETSA-N 1 3 335.536 2.853 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017226049 1313278444 /nfs/dbraw/zinc/27/84/44/1313278444.db2.gz ICJSHDZUBWDJTK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017226049 1313278446 /nfs/dbraw/zinc/27/84/46/1313278446.db2.gz ICJSHDZUBWDJTK-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768169 1313278509 /nfs/dbraw/zinc/27/85/09/1313278509.db2.gz UJYGWLXZCFRVPW-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)N1CCCCCC1 ZINC001049768169 1313278513 /nfs/dbraw/zinc/27/85/13/1313278513.db2.gz UJYGWLXZCFRVPW-CEXWTWQISA-N 1 3 335.536 2.972 20 0 EFADHO CCc1ccc(C[NH+]2CCC3(CCCN(CC(=O)N(C)C)C3)CC2)o1 ZINC001276148602 1296617840 /nfs/dbraw/zinc/61/78/40/1296617840.db2.gz LJDUEHLOEAPNCI-UHFFFAOYSA-N 1 3 347.503 2.608 20 0 EFADHO Cc1nn(C)cc1C[NH2+][C@@]12CC[C@@](NCc3ccc[nH]3)(C1)CCC2 ZINC001276201141 1296648318 /nfs/dbraw/zinc/64/83/18/1296648318.db2.gz YYJUJAKSDABGSF-RBUKOAKNSA-N 1 3 327.476 2.781 20 0 EFADHO CC[C@H](C(=O)N1CCC([NH2+]CCCCc2ccccc2)CC1)N(C)C ZINC001201240753 1296649960 /nfs/dbraw/zinc/64/99/60/1296649960.db2.gz XXWQZGOZUXKCLX-HXUWFJFHSA-N 1 3 345.531 2.930 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC(C)C)C1 ZINC001205445828 1313290351 /nfs/dbraw/zinc/29/03/51/1313290351.db2.gz LXPYEKIYENYMSN-RBUKOAKNSA-N 1 3 349.494 2.708 20 0 EFADHO C[NH2+][C@@]12CC[C@@](NCc3ccc(CN4CCOCC4)cc3)(C1)CCC2 ZINC001276295392 1296698945 /nfs/dbraw/zinc/69/89/45/1296698945.db2.gz ZTKDITPKWCWDRI-LEWJYISDSA-N 1 3 343.515 2.673 20 0 EFADHO COc1cc(C)ccc1CN1CCC[C@]2(CC[N@H+](CCN(C)C)C2)C1 ZINC001276294837 1296699208 /nfs/dbraw/zinc/69/92/08/1296699208.db2.gz XBAJPOIWPYHVQG-OAQYLSRUSA-N 1 3 345.531 2.853 20 0 EFADHO COc1cc(C)ccc1CN1CCC[C@]2(CC[N@@H+](CCN(C)C)C2)C1 ZINC001276294837 1296699227 /nfs/dbraw/zinc/69/92/27/1296699227.db2.gz XBAJPOIWPYHVQG-OAQYLSRUSA-N 1 3 345.531 2.853 20 0 EFADHO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000960289686 1296707884 /nfs/dbraw/zinc/70/78/84/1296707884.db2.gz AJPZRAPMLPNFPV-AQNXPRMDSA-N 1 3 341.499 2.643 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC(C[NH2+]CCCC2CCC2)CC1)C1CC1 ZINC001205462464 1313293677 /nfs/dbraw/zinc/29/36/77/1313293677.db2.gz ZAODOOSRPBRPMW-IBGZPJMESA-N 1 3 335.536 2.735 20 0 EFADHO CCC/C=C/CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205460929 1313293814 /nfs/dbraw/zinc/29/38/14/1313293814.db2.gz ARSCMBAQAGFWOL-OVKVCFKUSA-N 1 3 335.536 2.901 20 0 EFADHO Cc1cc(F)cc(Br)c1CN1CC[C@H](C2C[NH2+]C2)C1 ZINC001235338396 1313294567 /nfs/dbraw/zinc/29/45/67/1313294567.db2.gz AEQFKKNYDPTNOM-NSHDSACASA-N 1 3 327.241 2.938 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC([NH2+]CC=C(Cl)Cl)CC1 ZINC001201327136 1296730199 /nfs/dbraw/zinc/73/01/99/1296730199.db2.gz HHVXDMWAGXXSBH-UHFFFAOYSA-N 1 3 336.307 2.616 20 0 EFADHO c1ccc(C2(C[N@@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)CCCC2)cc1 ZINC001235365535 1313302866 /nfs/dbraw/zinc/30/28/66/1313302866.db2.gz AECAYARFGKSNLO-SFHLNBCPSA-N 1 3 326.484 2.951 20 0 EFADHO c1ccc(C2(C[N@H+]3CC[C@@]45CNC[C@@H](C[C@@H]4C3)O5)CCCC2)cc1 ZINC001235365535 1313302868 /nfs/dbraw/zinc/30/28/68/1313302868.db2.gz AECAYARFGKSNLO-SFHLNBCPSA-N 1 3 326.484 2.951 20 0 EFADHO Clc1cccc(Cl)c1CCN1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001235371269 1313304083 /nfs/dbraw/zinc/30/40/83/1313304083.db2.gz YLYUKVPGJZRLOR-OGHNNQOOSA-N 1 3 341.282 2.989 20 0 EFADHO CC(C)CCN1CCC([NH2+]CCCOCC2CCOCC2)CC1 ZINC000925118908 1296802155 /nfs/dbraw/zinc/80/21/55/1296802155.db2.gz OSGBBSTYUFUYLK-UHFFFAOYSA-N 1 3 326.525 2.920 20 0 EFADHO Cc1c[nH]c(=O)c(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1 ZINC001235384496 1313307368 /nfs/dbraw/zinc/30/73/68/1313307368.db2.gz RKSLIYSJNYBKOX-CTNGQTDRSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)c1 ZINC001235384496 1313307372 /nfs/dbraw/zinc/30/73/72/1313307372.db2.gz RKSLIYSJNYBKOX-CTNGQTDRSA-N 1 3 337.467 2.849 20 0 EFADHO Cc1c[nH]c(=O)c(C[N@H+]2CC[C@]3(c4ccccc4)CCNC[C@@H]3C2)c1 ZINC001235384496 1313307375 /nfs/dbraw/zinc/30/73/75/1313307375.db2.gz RKSLIYSJNYBKOX-CTNGQTDRSA-N 1 3 337.467 2.849 20 0 EFADHO O=C(N1CCC(NC/C(Cl)=C\Cl)CC1)C12CCC[NH+]1CCC2 ZINC001201440698 1296842275 /nfs/dbraw/zinc/84/22/75/1296842275.db2.gz DJRGRVWNJSRMJZ-ACCUITESSA-N 1 3 346.302 2.514 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC001017267156 1313310785 /nfs/dbraw/zinc/31/07/85/1313310785.db2.gz PBLUZMDNEMIQEJ-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC001017267156 1313310786 /nfs/dbraw/zinc/31/07/86/1313310786.db2.gz PBLUZMDNEMIQEJ-IBGZPJMESA-N 1 3 343.515 2.942 20 0 EFADHO CCOC(=O)c1[nH]c2ccccc2c1CN1CCC[C@](F)(C[NH3+])CC1 ZINC001205559657 1313313390 /nfs/dbraw/zinc/31/33/90/1313313390.db2.gz SYVPNUOMZQQJOP-LJQANCHMSA-N 1 3 347.434 2.998 20 0 EFADHO COc1ccc2c(c1)[nH]nc2CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235423319 1313318314 /nfs/dbraw/zinc/31/83/14/1313318314.db2.gz FXTPAGUNTMRMJJ-HUUCEWRRSA-N 1 3 328.460 2.783 20 0 EFADHO COC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC001235426618 1313319485 /nfs/dbraw/zinc/31/94/85/1313319485.db2.gz MADRKZVSTKQWSP-JKSUJKDBSA-N 1 3 334.435 2.824 20 0 EFADHO C[C@@H]1CCN(Cc2ccncc2NC(=O)C(C)(C)C)CC[C@@H]1C[NH3+] ZINC001205617656 1313323762 /nfs/dbraw/zinc/32/37/62/1313323762.db2.gz LYUKEZXZKIOUFN-HUUCEWRRSA-N 1 3 332.492 2.873 20 0 EFADHO C[C@@H]1CCN(Cc2ccc(Br)cc2N)CC[C@@H]1C[NH3+] ZINC001205627048 1313325854 /nfs/dbraw/zinc/32/58/54/1313325854.db2.gz LXPYQYUUXRTLGY-VXGBXAGGSA-N 1 3 326.282 2.838 20 0 EFADHO C[C@@H]1CCN(Cc2cc(O)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205637497 1313328018 /nfs/dbraw/zinc/32/80/18/1313328018.db2.gz HNLZGODIMURDRV-YPMHNXCESA-N 1 3 327.266 2.962 20 0 EFADHO C[C@H]1CCN(Cc2cc(O)cc(Br)c2)CC[C@H]1C[NH3+] ZINC001205637493 1313328066 /nfs/dbraw/zinc/32/80/66/1313328066.db2.gz HNLZGODIMURDRV-AAEUAGOBSA-N 1 3 327.266 2.962 20 0 EFADHO C[C@@H]1CCN(Cc2cccc(Br)c2N)CC[C@@H]1C[NH3+] ZINC001205638423 1313328174 /nfs/dbraw/zinc/32/81/74/1313328174.db2.gz NULPJVHVLBIXNI-VXGBXAGGSA-N 1 3 326.282 2.838 20 0 EFADHO COc1ccc(CN2CCCC[C@](O)(C[NH3+])C2)c2c(OC)cccc12 ZINC001205673958 1313335203 /nfs/dbraw/zinc/33/52/03/1313335203.db2.gz WNHODQKSBSKGBH-FQEVSTJZSA-N 1 3 344.455 2.533 20 0 EFADHO Cc1nc2c(Nc3cc[nH+]c(N4CCN(C)CC4)c3)cccn2c1C ZINC001201658818 1297003557 /nfs/dbraw/zinc/00/35/57/1297003557.db2.gz JXXFVPMPJGFWKO-UHFFFAOYSA-N 1 3 336.443 2.842 20 0 EFADHO [NH3+]C[C@@]1(O)CCCCN(CCCc2ccccc2C(F)(F)F)C1 ZINC001205664466 1313333273 /nfs/dbraw/zinc/33/32/73/1313333273.db2.gz NHFADUUHPOCTRM-INIZCTEOSA-N 1 3 330.394 2.814 20 0 EFADHO Cc1nc(CN2CCN(CCCC[NH3+])Cc3ccc(C)nc32)cs1 ZINC001235483232 1313334292 /nfs/dbraw/zinc/33/42/92/1313334292.db2.gz JPOKYXSDRHTUGB-UHFFFAOYSA-N 1 3 345.516 2.716 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477079 1297063814 /nfs/dbraw/zinc/06/38/14/1297063814.db2.gz GIPOIYSYPUEQTP-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960477079 1297063825 /nfs/dbraw/zinc/06/38/25/1297063825.db2.gz GIPOIYSYPUEQTP-VQTJNVASSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960476971 1297064563 /nfs/dbraw/zinc/06/45/63/1297064563.db2.gz FLGVYPGZSLIQCL-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960476971 1297064577 /nfs/dbraw/zinc/06/45/77/1297064577.db2.gz FLGVYPGZSLIQCL-RTBURBONSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478101 1297067203 /nfs/dbraw/zinc/06/72/03/1297067203.db2.gz LQTJWEWQAJLNDV-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960478101 1297067214 /nfs/dbraw/zinc/06/72/14/1297067214.db2.gz LQTJWEWQAJLNDV-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(CF)cc1 ZINC000960480921 1297077685 /nfs/dbraw/zinc/07/76/85/1297077685.db2.gz UTYIRGRPGDQNIE-MOPGFXCFSA-N 1 3 347.478 2.673 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000960480921 1297077700 /nfs/dbraw/zinc/07/77/00/1297077700.db2.gz UTYIRGRPGDQNIE-MOPGFXCFSA-N 1 3 347.478 2.673 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960480865 1297078672 /nfs/dbraw/zinc/07/86/72/1297078672.db2.gz UGIDLWHIIKPBCW-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)c1 ZINC000960480865 1297078687 /nfs/dbraw/zinc/07/86/87/1297078687.db2.gz UGIDLWHIIKPBCW-PMACEKPBSA-N 1 3 343.515 2.820 20 0 EFADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235517491 1313342310 /nfs/dbraw/zinc/34/23/10/1313342310.db2.gz ZFBAIUFJOYEHLT-IRXDYDNUSA-N 1 3 349.544 2.698 20 0 EFADHO CN(C[C@@H]1CCN1CCc1cccs1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235517491 1313342314 /nfs/dbraw/zinc/34/23/14/1313342314.db2.gz ZFBAIUFJOYEHLT-IRXDYDNUSA-N 1 3 349.544 2.698 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960487678 1297098439 /nfs/dbraw/zinc/09/84/39/1297098439.db2.gz NVRZYSRBLOLXFW-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC000960487678 1297098452 /nfs/dbraw/zinc/09/84/52/1297098452.db2.gz NVRZYSRBLOLXFW-RTBURBONSA-N 1 3 347.478 2.651 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC000960491006 1297100678 /nfs/dbraw/zinc/10/06/78/1297100678.db2.gz XEVBVBXVSUIRFX-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC2(CC2)CC1 ZINC000960491006 1297100681 /nfs/dbraw/zinc/10/06/81/1297100681.db2.gz XEVBVBXVSUIRFX-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960491086 1297101195 /nfs/dbraw/zinc/10/11/95/1297101195.db2.gz YMYQBXKDNZJFHX-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1 ZINC000960491086 1297101200 /nfs/dbraw/zinc/10/12/00/1297101200.db2.gz YMYQBXKDNZJFHX-WOJBJXKFSA-N 1 3 343.515 2.766 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960491075 1297101242 /nfs/dbraw/zinc/10/12/42/1297101242.db2.gz YGHDHPIRUVJTOP-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960491075 1297101247 /nfs/dbraw/zinc/10/12/47/1297101247.db2.gz YGHDHPIRUVJTOP-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960491070 1297102403 /nfs/dbraw/zinc/10/24/03/1297102403.db2.gz YGHDHPIRUVJTOP-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960491070 1297102407 /nfs/dbraw/zinc/10/24/07/1297102407.db2.gz YGHDHPIRUVJTOP-MSOLQXFVSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)[C@H]2c1ccccc1 ZINC001273914935 1297138734 /nfs/dbraw/zinc/13/87/34/1297138734.db2.gz LOFQLTJOTDKDDC-SFHVURJKSA-N 1 3 329.488 2.622 20 0 EFADHO COC(C)(C)CCC[C@H](C)CCN1CC2(CCN2CC[NH+](C)C)C1 ZINC001276484263 1313351938 /nfs/dbraw/zinc/35/19/38/1313351938.db2.gz NOFZOGMSCNYLNT-SFHVURJKSA-N 1 3 339.568 2.930 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1=CCCCC1)N(C)C ZINC001235589815 1313356139 /nfs/dbraw/zinc/35/61/39/1313356139.db2.gz UURZDWIRSFYALI-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1)N(C)C ZINC001235589815 1313356142 /nfs/dbraw/zinc/35/61/42/1313356142.db2.gz UURZDWIRSFYALI-MOPGFXCFSA-N 1 3 335.536 2.996 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)(C)C)N(C)C ZINC001235589428 1313356211 /nfs/dbraw/zinc/35/62/11/1313356211.db2.gz RWBQLCJYOOTDGL-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C)N(C)C ZINC001235589428 1313356214 /nfs/dbraw/zinc/35/62/14/1313356214.db2.gz RWBQLCJYOOTDGL-SJORKVTESA-N 1 3 325.541 2.932 20 0 EFADHO c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H]1Cc1ccccc1 ZINC000903888852 1313357039 /nfs/dbraw/zinc/35/70/39/1313357039.db2.gz LWQZOOJHZKPLEP-MOPGFXCFSA-N 1 3 339.487 2.800 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)C[C@H]1CCN1CCCc1ccccc1)[NH+](C)C ZINC001235601139 1313358265 /nfs/dbraw/zinc/35/82/65/1313358265.db2.gz IYDSIMVMFRXPSD-UXHICEINSA-N 1 3 345.531 2.738 20 0 EFADHO Cc1ccccc1C[C@H]1CCCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903892815 1313363210 /nfs/dbraw/zinc/36/32/10/1313363210.db2.gz WXUCSNPEOMNBOU-RTBURBONSA-N 1 3 339.487 2.718 20 0 EFADHO Cc1c(C[C@H](C[NH3+])CN2CCC(c3ccc(F)cc3)CC2)cnn1C ZINC000903893616 1313365894 /nfs/dbraw/zinc/36/58/94/1313365894.db2.gz XHFWJHFEFVNEMF-MRXNPFEDSA-N 1 3 344.478 2.865 20 0 EFADHO COC(=O)CCC[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001202219211 1297286954 /nfs/dbraw/zinc/28/69/54/1297286954.db2.gz GFPZSGRSALVNRK-UHFFFAOYSA-N 1 3 345.487 2.711 20 0 EFADHO COC(=O)CCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202263161 1297294263 /nfs/dbraw/zinc/29/42/63/1297294263.db2.gz JNGXNMKKVVCSAQ-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO COC(=O)CCC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001202263161 1297294271 /nfs/dbraw/zinc/29/42/71/1297294271.db2.gz JNGXNMKKVVCSAQ-HXUWFJFHSA-N 1 3 330.472 2.928 20 0 EFADHO C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894841 1313368070 /nfs/dbraw/zinc/36/80/70/1313368070.db2.gz FVUFLYYRBOBJEL-KBAYOESNSA-N 1 3 325.460 2.581 20 0 EFADHO COc1cccc(CN(C)Cc2ccccc2N2CC[NH2+]CC2)c1 ZINC001235664802 1313369450 /nfs/dbraw/zinc/36/94/50/1313369450.db2.gz WQGCISAEMXSMOI-UHFFFAOYSA-N 1 3 325.456 2.737 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@@H+]1C ZINC000960641846 1297346797 /nfs/dbraw/zinc/34/67/97/1297346797.db2.gz MRIGVMHCOSVAQX-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2cccc(F)c2)CC[N@H+]1C ZINC000960641846 1297346805 /nfs/dbraw/zinc/34/68/05/1297346805.db2.gz MRIGVMHCOSVAQX-AYOQOUSVSA-N 1 3 347.478 2.589 20 0 EFADHO COc1ccccc1O[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235688848 1313375872 /nfs/dbraw/zinc/37/58/72/1313375872.db2.gz TYIURGHFJSGOOL-LJQANCHMSA-N 1 3 338.451 2.994 20 0 EFADHO CN(Cc1cccc(F)c1)C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC000960666193 1297391263 /nfs/dbraw/zinc/39/12/63/1297391263.db2.gz APAJDCSYUPFOFL-MOPGFXCFSA-N 1 3 347.478 2.589 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC000960666234 1297391969 /nfs/dbraw/zinc/39/19/69/1297391969.db2.gz AWWJIFUMHAQNCO-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@H](C2CC2)N(C)C)c1 ZINC000960666234 1297391982 /nfs/dbraw/zinc/39/19/82/1297391982.db2.gz AWWJIFUMHAQNCO-UXHICEINSA-N 1 3 343.515 2.758 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(F)cc1)C1CCC1 ZINC000960668451 1297401593 /nfs/dbraw/zinc/40/15/93/1297401593.db2.gz PUVOXOKIRUPMJB-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(F)cc1)C1CCC1 ZINC000960668451 1297401602 /nfs/dbraw/zinc/40/16/02/1297401602.db2.gz PUVOXOKIRUPMJB-LJQANCHMSA-N 1 3 347.478 2.733 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC000960669740 1297403992 /nfs/dbraw/zinc/40/39/92/1297403992.db2.gz XUCZVDWAEWVENY-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC(C)(C)C1)C1CCC1 ZINC000960669740 1297403996 /nfs/dbraw/zinc/40/39/96/1297403996.db2.gz XUCZVDWAEWVENY-SFHVURJKSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000960676757 1297411206 /nfs/dbraw/zinc/41/12/06/1297411206.db2.gz DVENFVLEHLVMLV-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(F)cc2)CCC1 ZINC000960676757 1297411210 /nfs/dbraw/zinc/41/12/10/1297411210.db2.gz DVENFVLEHLVMLV-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC000960690710 1297424518 /nfs/dbraw/zinc/42/45/18/1297424518.db2.gz LJQAHZIYSBVGNX-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC3(CCC3)C2)CCC1 ZINC000960690710 1297424522 /nfs/dbraw/zinc/42/45/22/1297424522.db2.gz LJQAHZIYSBVGNX-SFHVURJKSA-N 1 3 347.547 2.974 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C)N(C)C ZINC000960698850 1297434946 /nfs/dbraw/zinc/43/49/46/1297434946.db2.gz AASZUKNYQDEBQP-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC000960698850 1297434952 /nfs/dbraw/zinc/43/49/52/1297434952.db2.gz AASZUKNYQDEBQP-RTBURBONSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851229 1313387080 /nfs/dbraw/zinc/38/70/80/1313387080.db2.gz WOHOLVFQISETQX-XHSDSOJGSA-N 1 3 332.492 2.799 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH]cn1 ZINC001049851229 1313387084 /nfs/dbraw/zinc/38/70/84/1313387084.db2.gz WOHOLVFQISETQX-XHSDSOJGSA-N 1 3 332.492 2.799 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCCN2C)C1 ZINC000932634479 1297440517 /nfs/dbraw/zinc/44/05/17/1297440517.db2.gz ABUZWVQHIFEDPZ-SJORKVTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN2C)C1 ZINC000932634479 1297440523 /nfs/dbraw/zinc/44/05/23/1297440523.db2.gz ABUZWVQHIFEDPZ-SJORKVTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000932634479 1297440528 /nfs/dbraw/zinc/44/05/28/1297440528.db2.gz ABUZWVQHIFEDPZ-SJORKVTESA-N 1 3 345.487 2.830 20 0 EFADHO COc1ccccc1NC(=O)[C@@H]1CCCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000932634479 1297440536 /nfs/dbraw/zinc/44/05/36/1297440536.db2.gz ABUZWVQHIFEDPZ-SJORKVTESA-N 1 3 345.487 2.830 20 0 EFADHO FC(F)(F)c1cccc([C@@H]2CC[N@H+](CC[C@H]3CNCCO3)C2)c1 ZINC001235713299 1313381994 /nfs/dbraw/zinc/38/19/94/1313381994.db2.gz WGAZJRQHSOEURZ-ZBFHGGJFSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@H]3CNCCO3)C2)c1 ZINC001235713299 1313381998 /nfs/dbraw/zinc/38/19/98/1313381998.db2.gz WGAZJRQHSOEURZ-ZBFHGGJFSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1cccc([C@@H]2CC[N@H+](CC[C@@H]3CNCCO3)C2)c1 ZINC001235713293 1313382228 /nfs/dbraw/zinc/38/22/28/1313382228.db2.gz WGAZJRQHSOEURZ-GDBMZVCRSA-N 1 3 328.378 2.873 20 0 EFADHO FC(F)(F)c1cccc([C@@H]2CC[N@@H+](CC[C@@H]3CNCCO3)C2)c1 ZINC001235713293 1313382232 /nfs/dbraw/zinc/38/22/32/1313382232.db2.gz WGAZJRQHSOEURZ-GDBMZVCRSA-N 1 3 328.378 2.873 20 0 EFADHO C[NH+]1CCC(NC(=O)CN2CCC(C)(C)[C@@H](c3ccccc3)C2)CC1 ZINC000933511189 1297490215 /nfs/dbraw/zinc/49/02/15/1297490215.db2.gz APWGBXLJIKVZBO-LJQANCHMSA-N 1 3 343.515 2.713 20 0 EFADHO Cc1c(C[C@H](CN)C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cnn1C ZINC000903909323 1313394507 /nfs/dbraw/zinc/39/45/07/1313394507.db2.gz TYUQBLTXXQUROF-DFQSSKMNSA-N 1 3 340.515 2.799 20 0 EFADHO Cc1c(C[C@H](CN)C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cnn1C ZINC000903909323 1313394510 /nfs/dbraw/zinc/39/45/10/1313394510.db2.gz TYUQBLTXXQUROF-DFQSSKMNSA-N 1 3 340.515 2.799 20 0 EFADHO [NH3+][C@H](Cc1ccccc1)CN1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235793547 1313397461 /nfs/dbraw/zinc/39/74/61/1313397461.db2.gz YPTIESCYEMFCJG-RTBURBONSA-N 1 3 329.875 2.856 20 0 EFADHO Fc1cccnc1N1CCCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903911094 1313398911 /nfs/dbraw/zinc/39/89/11/1313398911.db2.gz WWNOKGWMYKYLIK-UHFFFAOYSA-N 1 3 340.446 2.579 20 0 EFADHO CCOc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)ccc1F ZINC001235806954 1313401112 /nfs/dbraw/zinc/40/11/12/1313401112.db2.gz PIFHROPOANNEQP-UHFFFAOYSA-N 1 3 349.494 2.684 20 0 EFADHO Cc1cccc([C@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000903915046 1313407201 /nfs/dbraw/zinc/40/72/01/1313407201.db2.gz XOAWYQTYDAJULE-ZWKOTPCHSA-N 1 3 325.460 2.501 20 0 EFADHO c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001235840949 1313407288 /nfs/dbraw/zinc/40/72/88/1313407288.db2.gz PQBGSZBQEUVCKK-VXKWHMMOSA-N 1 3 333.479 2.791 20 0 EFADHO c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001235840992 1313407432 /nfs/dbraw/zinc/40/74/32/1313407432.db2.gz QXURPABUVYNSDH-VXKWHMMOSA-N 1 3 333.479 2.791 20 0 EFADHO c1c(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)sc2c1C[NH2+]CC2 ZINC001235841335 1313407442 /nfs/dbraw/zinc/40/74/42/1313407442.db2.gz WTOPMQMCYVTHLK-ROUUACIJSA-N 1 3 339.508 2.853 20 0 EFADHO Cc1ccc([C@@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000903915748 1313408334 /nfs/dbraw/zinc/40/83/34/1313408334.db2.gz BWMALLFSOPWFTB-MSOLQXFVSA-N 1 3 339.487 2.809 20 0 EFADHO Cc1ccc([C@@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)c(C)c1 ZINC000903915751 1313408642 /nfs/dbraw/zinc/40/86/42/1313408642.db2.gz BWMALLFSOPWFTB-QZTJIDSGSA-N 1 3 339.487 2.809 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017549457 1313409256 /nfs/dbraw/zinc/40/92/56/1313409256.db2.gz INBDBRPFRAVAGG-ZSYWTGECSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549457 1313409259 /nfs/dbraw/zinc/40/92/59/1313409259.db2.gz INBDBRPFRAVAGG-ZSYWTGECSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017554982 1313411504 /nfs/dbraw/zinc/41/15/04/1313411504.db2.gz HOTJYFBEZHOUDT-OKZBNKHCSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000935793518 1297664164 /nfs/dbraw/zinc/66/41/64/1297664164.db2.gz FOVFDHQPBIGUEO-FPOVZHCZSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935793518 1297664171 /nfs/dbraw/zinc/66/41/71/1297664171.db2.gz FOVFDHQPBIGUEO-FPOVZHCZSA-N 1 3 343.515 2.888 20 0 EFADHO COc1ccc(Cl)cc1N1CCN(CCCCCC[NH3+])CC1 ZINC001235868873 1313412578 /nfs/dbraw/zinc/41/25/78/1313412578.db2.gz WAKYXGIPCNXBSF-UHFFFAOYSA-N 1 3 325.884 2.990 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165564 1313413391 /nfs/dbraw/zinc/41/33/91/1313413391.db2.gz OCCAIPKWKZGWCY-RBUKOAKNSA-N 1 3 330.451 2.809 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206165564 1313413394 /nfs/dbraw/zinc/41/33/94/1313413394.db2.gz OCCAIPKWKZGWCY-RBUKOAKNSA-N 1 3 330.451 2.809 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165565 1313413599 /nfs/dbraw/zinc/41/35/99/1313413599.db2.gz OCCAIPKWKZGWCY-RTBURBONSA-N 1 3 330.451 2.809 20 0 EFADHO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206165565 1313413602 /nfs/dbraw/zinc/41/36/02/1313413602.db2.gz OCCAIPKWKZGWCY-RTBURBONSA-N 1 3 330.451 2.809 20 0 EFADHO c1cnn(Cc2ccc(CNCc3cccc4c3CC[NH2+]C4)cc2)c1 ZINC000903918815 1313414697 /nfs/dbraw/zinc/41/46/97/1313414697.db2.gz ISTFMTDSAMDPBT-UHFFFAOYSA-N 1 3 332.451 2.867 20 0 EFADHO CC1CC(C[N@H+](C)C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC000960862529 1297715122 /nfs/dbraw/zinc/71/51/22/1297715122.db2.gz JOJNZDZWDJUVHA-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@H]2CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC000960862529 1297715128 /nfs/dbraw/zinc/71/51/28/1297715128.db2.gz JOJNZDZWDJUVHA-DAWZGUTISA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1C)N(C)C ZINC000960862469 1297716877 /nfs/dbraw/zinc/71/68/77/1297716877.db2.gz AASZUKNYQDEBQP-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C)N(C)C ZINC000960862469 1297716887 /nfs/dbraw/zinc/71/68/87/1297716887.db2.gz AASZUKNYQDEBQP-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960865330 1297722610 /nfs/dbraw/zinc/72/26/10/1297722610.db2.gz PVRVZYRDRCYRSM-YJBOKZPZSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000960865330 1297722618 /nfs/dbraw/zinc/72/26/18/1297722618.db2.gz PVRVZYRDRCYRSM-YJBOKZPZSA-N 1 3 327.488 2.530 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC000960867068 1297724249 /nfs/dbraw/zinc/72/42/49/1297724249.db2.gz UTHDPGNREYNLMZ-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC2(CCC2)C1 ZINC000960867068 1297724256 /nfs/dbraw/zinc/72/42/56/1297724256.db2.gz UTHDPGNREYNLMZ-MJGOQNOKSA-N 1 3 347.547 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCCC1 ZINC000960867446 1297725766 /nfs/dbraw/zinc/72/57/66/1297725766.db2.gz XBMKQDLJPYCBLZ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCCC1 ZINC000960867446 1297725779 /nfs/dbraw/zinc/72/57/79/1297725779.db2.gz XBMKQDLJPYCBLZ-IEBWSBKVSA-N 1 3 335.536 2.974 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960868909 1297728822 /nfs/dbraw/zinc/72/88/22/1297728822.db2.gz LVUGTTKVUIIHLP-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC2(CCC2)C1)N(C)C ZINC000960868909 1297728831 /nfs/dbraw/zinc/72/88/31/1297728831.db2.gz LVUGTTKVUIIHLP-MSOLQXFVSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960873429 1297733871 /nfs/dbraw/zinc/73/38/71/1297733871.db2.gz FSYZMUYCIQYZBS-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C)N(C)C ZINC000960873429 1297733873 /nfs/dbraw/zinc/73/38/73/1297733873.db2.gz FSYZMUYCIQYZBS-OALUTQOASA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960884687 1297741369 /nfs/dbraw/zinc/74/13/69/1297741369.db2.gz SBFZTIPVSGCUCE-MOPGFXCFSA-N 1 3 349.494 2.919 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(CF)cc1)N(C)C ZINC000960884687 1297741374 /nfs/dbraw/zinc/74/13/74/1297741374.db2.gz SBFZTIPVSGCUCE-MOPGFXCFSA-N 1 3 349.494 2.919 20 0 EFADHO C[N@H+](CC[C@H]1COC(C)(C)N1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235950282 1313421960 /nfs/dbraw/zinc/42/19/60/1313421960.db2.gz YTJWJPPEFZGPIU-OALUTQOASA-N 1 3 331.504 2.555 20 0 EFADHO C[N@@H+](CC[C@H]1COC(C)(C)N1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001235950282 1313421962 /nfs/dbraw/zinc/42/19/62/1313421962.db2.gz YTJWJPPEFZGPIU-OALUTQOASA-N 1 3 331.504 2.555 20 0 EFADHO Cc1ccc(C[N@@H+](CCN)C(C)C)cc1I ZINC001235947078 1313422055 /nfs/dbraw/zinc/42/20/55/1313422055.db2.gz GKZLZTBETVWFSC-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO Cc1ccc(C[N@H+](CCN)C(C)C)cc1I ZINC001235947078 1313422056 /nfs/dbraw/zinc/42/20/56/1313422056.db2.gz GKZLZTBETVWFSC-UHFFFAOYSA-N 1 3 332.229 2.769 20 0 EFADHO CC(C)C[C@H](C)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275693 1313429911 /nfs/dbraw/zinc/42/99/11/1313429911.db2.gz YIGWUGUHANIVJE-ROUUACIJSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960903374 1297777336 /nfs/dbraw/zinc/77/73/36/1297777336.db2.gz CKGXVEWWEZUZNC-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960903374 1297777349 /nfs/dbraw/zinc/77/73/49/1297777349.db2.gz CKGXVEWWEZUZNC-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO Fc1c(CN2CCCCC2)cccc1-c1ncnc2c1C[NH2+]CC2 ZINC001236002431 1313430044 /nfs/dbraw/zinc/43/00/44/1313430044.db2.gz KMCMKTGJTGZNBA-UHFFFAOYSA-N 1 3 326.419 2.914 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000960908998 1297791532 /nfs/dbraw/zinc/79/15/32/1297791532.db2.gz JCUSCCOOCQERDK-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)Cc1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000960908998 1297791539 /nfs/dbraw/zinc/79/15/39/1297791539.db2.gz JCUSCCOOCQERDK-MJGOQNOKSA-N 1 3 338.455 2.563 20 0 EFADHO [NH3+][C@H](CNCCCc1nc(-c2ccncc2)cs1)CC(F)F ZINC000903925159 1313426606 /nfs/dbraw/zinc/42/66/06/1313426606.db2.gz LCCBNVMMQHLKCH-LBPRGKRZSA-N 1 3 326.416 2.710 20 0 EFADHO CCOC(=O)[C@]12C[N@H+](Cc3ccc(F)c4ccoc43)C[C@H]1CNCC2 ZINC001236039850 1313432509 /nfs/dbraw/zinc/43/25/09/1313432509.db2.gz CUVXCUBSQFGCAJ-AUUYWEPGSA-N 1 3 346.402 2.547 20 0 EFADHO CCOC(=O)[C@]12C[N@@H+](Cc3ccc(F)c4ccoc43)C[C@H]1CNCC2 ZINC001236039850 1313432510 /nfs/dbraw/zinc/43/25/10/1313432510.db2.gz CUVXCUBSQFGCAJ-AUUYWEPGSA-N 1 3 346.402 2.547 20 0 EFADHO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Br)cc2N)CC1 ZINC001206311489 1313434497 /nfs/dbraw/zinc/43/44/97/1313434497.db2.gz PYKOMTZXRKQHCH-OAHLLOKOSA-N 1 3 326.282 2.982 20 0 EFADHO Cn1nccc1CN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001206329629 1313437252 /nfs/dbraw/zinc/43/72/52/1313437252.db2.gz BMFUAYKPZUSWII-SFHVURJKSA-N 1 3 328.460 2.890 20 0 EFADHO Cn1nccc1CN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1 ZINC001206329629 1313437254 /nfs/dbraw/zinc/43/72/54/1313437254.db2.gz BMFUAYKPZUSWII-SFHVURJKSA-N 1 3 328.460 2.890 20 0 EFADHO Cc1cc(OC(F)(F)F)ccc1CN1CCC[C@H](N2CC([NH3+])C2)C1 ZINC001236073738 1313437377 /nfs/dbraw/zinc/43/73/77/1313437377.db2.gz QCMKWWGSDCIYBL-HNNXBMFYSA-N 1 3 343.393 2.501 20 0 EFADHO CCCCCOc1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cc1 ZINC001236073423 1313437560 /nfs/dbraw/zinc/43/75/60/1313437560.db2.gz MYUAGWTVLVZTGU-LJQANCHMSA-N 1 3 331.504 2.863 20 0 EFADHO CN(CCN1CC[NH2+]CC1)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001236082029 1313439793 /nfs/dbraw/zinc/43/97/93/1313439793.db2.gz VLDJMNNFRCLBQZ-UHFFFAOYSA-N 1 3 344.890 2.739 20 0 EFADHO COc1ccc(-c2ccc(CN(C)CCN3CC[NH2+]CC3)s2)cc1 ZINC001236083952 1313440198 /nfs/dbraw/zinc/44/01/98/1313440198.db2.gz YUQUCYZSNAVADC-UHFFFAOYSA-N 1 3 345.512 2.761 20 0 EFADHO CC1(C)[NH2+][C@@H](CCN2CCN([C@H]3CCCc4ccccc43)CC2)CO1 ZINC001236092774 1313440420 /nfs/dbraw/zinc/44/04/20/1313440420.db2.gz PQTWQYSDCKMDLR-ICSRJNTNSA-N 1 3 343.515 2.796 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)[C@H](C)C1 ZINC000947979443 1297900508 /nfs/dbraw/zinc/90/05/08/1297900508.db2.gz GVHRKGVGTXRPCM-RHSMWYFYSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)[C@H](C)C1 ZINC000947979443 1297900514 /nfs/dbraw/zinc/90/05/14/1297900514.db2.gz GVHRKGVGTXRPCM-RHSMWYFYSA-N 1 3 332.492 2.810 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)cs1 ZINC000960981999 1297943247 /nfs/dbraw/zinc/94/32/47/1297943247.db2.gz KEJLLJHSKDDWJM-KRWDZBQOSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000960981452 1297943537 /nfs/dbraw/zinc/94/35/37/1297943537.db2.gz YHBODKFRAUTOPW-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@@H+](C)C2)cs1 ZINC000960981452 1297943549 /nfs/dbraw/zinc/94/35/49/1297943549.db2.gz YHBODKFRAUTOPW-WMZOPIPTSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@@H+](C)C2)cs1 ZINC001049894663 1313447604 /nfs/dbraw/zinc/44/76/04/1313447604.db2.gz GRMYCHXIPSGWNA-KZNAEPCWSA-N 1 3 347.528 2.574 20 0 EFADHO Cc1cc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)[C@@H]2CC[N@H+](C)C2)cs1 ZINC001049894663 1313447607 /nfs/dbraw/zinc/44/76/07/1313447607.db2.gz GRMYCHXIPSGWNA-KZNAEPCWSA-N 1 3 347.528 2.574 20 0 EFADHO Cc1cc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)cnc1-c1ccccc1 ZINC001236079129 1313439441 /nfs/dbraw/zinc/43/94/41/1313439441.db2.gz PWYAYHVRMRVKCW-HXUWFJFHSA-N 1 3 336.483 2.664 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+]CC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001206411809 1313449720 /nfs/dbraw/zinc/44/97/20/1313449720.db2.gz UWPMXPMGEMSYTD-IAGOWNOFSA-N 1 3 346.519 2.997 20 0 EFADHO C[N@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)CC1CCC2(CC2)CC1 ZINC000961026799 1298022720 /nfs/dbraw/zinc/02/27/20/1298022720.db2.gz GORNCOKLJKZTSE-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO C[N@@H+](C[C@H]1CCCN1C(=O)CN1CCCC1)CC1CCC2(CC2)CC1 ZINC000961026799 1298022732 /nfs/dbraw/zinc/02/27/32/1298022732.db2.gz GORNCOKLJKZTSE-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961027900 1298025959 /nfs/dbraw/zinc/02/59/59/1298025959.db2.gz LYQAVVUOEVXOBR-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961027900 1298025966 /nfs/dbraw/zinc/02/59/66/1298025966.db2.gz LYQAVVUOEVXOBR-AEFFLSMTSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC000961027868 1298026047 /nfs/dbraw/zinc/02/60/47/1298026047.db2.gz LIDPCVDZOBXLJU-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC000961027868 1298026051 /nfs/dbraw/zinc/02/60/51/1298026051.db2.gz LIDPCVDZOBXLJU-FQEVSTJZSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@H]1CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236288408 1313465595 /nfs/dbraw/zinc/46/55/95/1313465595.db2.gz YRDAMXIPIXPHBZ-QAPCUYQASA-N 1 3 337.458 2.731 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000961031496 1298036558 /nfs/dbraw/zinc/03/65/58/1298036558.db2.gz YDRPJAIDSLDYOG-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000961031496 1298036562 /nfs/dbraw/zinc/03/65/62/1298036562.db2.gz YDRPJAIDSLDYOG-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000948775767 1298063036 /nfs/dbraw/zinc/06/30/36/1298063036.db2.gz QFTDKTHWVILRNU-FYUFSVPTSA-N 1 3 327.900 2.536 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CCCN(C/C=C\Cl)CC1 ZINC000948775767 1298063044 /nfs/dbraw/zinc/06/30/44/1298063044.db2.gz QFTDKTHWVILRNU-FYUFSVPTSA-N 1 3 327.900 2.536 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC2CC2)c1 ZINC001049907015 1313465896 /nfs/dbraw/zinc/46/58/96/1313465896.db2.gz BFYILDOVNHITCV-VQTJNVASSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CC2CC2)c1 ZINC001049907015 1313465899 /nfs/dbraw/zinc/46/58/99/1313465899.db2.gz BFYILDOVNHITCV-VQTJNVASSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001489199137 1298111596 /nfs/dbraw/zinc/11/15/96/1298111596.db2.gz CJCHAQOWNALBHN-CVEARBPZSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001489199137 1298111603 /nfs/dbraw/zinc/11/16/03/1298111603.db2.gz CJCHAQOWNALBHN-CVEARBPZSA-N 1 3 332.492 2.559 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(C)CC[N@H+](C)Cc1ccccc1 ZINC001236308626 1313467928 /nfs/dbraw/zinc/46/79/28/1313467928.db2.gz UXKPQQMXUQBQJY-NVXWUHKLSA-N 1 3 325.447 2.541 20 0 EFADHO C[C@@H]1CNCC(F)(F)[C@@H]1CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC001236308626 1313467930 /nfs/dbraw/zinc/46/79/30/1313467930.db2.gz UXKPQQMXUQBQJY-NVXWUHKLSA-N 1 3 325.447 2.541 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211269418 1314466934 /nfs/dbraw/zinc/46/69/34/1314466934.db2.gz QPAQDAQDECTSMN-LJQANCHMSA-N 1 3 331.504 2.670 20 0 EFADHO COc1cccc([C@H]2CCC[N@H+](Cc3ccc4n3CCNC4)C2)c1 ZINC001236334376 1313471814 /nfs/dbraw/zinc/47/18/14/1313471814.db2.gz IRFRDTZYKWGUFS-KRWDZBQOSA-N 1 3 325.456 2.980 20 0 EFADHO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc4n3CCNC4)C2)c1 ZINC001236334376 1313471816 /nfs/dbraw/zinc/47/18/16/1313471816.db2.gz IRFRDTZYKWGUFS-KRWDZBQOSA-N 1 3 325.456 2.980 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCF)c1 ZINC001049912436 1313473021 /nfs/dbraw/zinc/47/30/21/1313473021.db2.gz KRNQBNGUAWDGKJ-RBUKOAKNSA-N 1 3 347.478 2.787 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCCF)c1 ZINC001049912436 1313473024 /nfs/dbraw/zinc/47/30/24/1313473024.db2.gz KRNQBNGUAWDGKJ-RBUKOAKNSA-N 1 3 347.478 2.787 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1)N1CCCCC1 ZINC001049913260 1313474446 /nfs/dbraw/zinc/47/44/46/1313474446.db2.gz CUUAQNBUUCRCPW-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1)N1CCCCC1 ZINC001049913260 1313474447 /nfs/dbraw/zinc/47/44/47/1313474447.db2.gz CUUAQNBUUCRCPW-VAMGGRTRSA-N 1 3 347.547 2.972 20 0 EFADHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCCCN1CCN(C)CC1 ZINC001206591209 1313480167 /nfs/dbraw/zinc/48/01/67/1313480167.db2.gz QWHXHJXPMAOAGP-FPOVZHCZSA-N 1 3 345.531 2.551 20 0 EFADHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCN1CCN(C)CC1 ZINC001206591209 1313480170 /nfs/dbraw/zinc/48/01/70/1313480170.db2.gz QWHXHJXPMAOAGP-FPOVZHCZSA-N 1 3 345.531 2.551 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188644 1298272979 /nfs/dbraw/zinc/27/29/79/1298272979.db2.gz WDMWBSALRDZWIL-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC000961188644 1298272986 /nfs/dbraw/zinc/27/29/86/1298272986.db2.gz WDMWBSALRDZWIL-OALUTQOASA-N 1 3 347.547 2.997 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230790 1298373828 /nfs/dbraw/zinc/37/38/28/1298373828.db2.gz LLJCPKVCPNIWIR-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000961230790 1298373841 /nfs/dbraw/zinc/37/38/41/1298373841.db2.gz LLJCPKVCPNIWIR-RTBURBONSA-N 1 3 349.563 2.935 20 0 EFADHO [NH3+]C1CCN([C@H]2CCN(Cc3c[nH]c4cccc(Cl)c34)C2)CC1 ZINC001236620741 1313499889 /nfs/dbraw/zinc/49/98/89/1313499889.db2.gz CULAGRSDYGCEKK-HNNXBMFYSA-N 1 3 332.879 2.819 20 0 EFADHO CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245992 1298410168 /nfs/dbraw/zinc/41/01/68/1298410168.db2.gz DFXZKDOCYWXJDZ-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC000961245992 1298410170 /nfs/dbraw/zinc/41/01/70/1298410170.db2.gz DFXZKDOCYWXJDZ-RBUKOAKNSA-N 1 3 335.536 2.689 20 0 EFADHO CCOC(=O)c1ccc2c(CN3C[C@H](C[NH3+])CC[C@@H]3C)c[nH]c2c1 ZINC001206811427 1313514685 /nfs/dbraw/zinc/51/46/85/1313514685.db2.gz UMDOYPJGGGFFEI-KBPBESRZSA-N 1 3 329.444 2.904 20 0 EFADHO O[C@]1(C(F)(F)F)CCCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001206811203 1313514915 /nfs/dbraw/zinc/51/49/15/1313514915.db2.gz RSCMQWIDRYDCAG-MRXNPFEDSA-N 1 3 328.378 2.612 20 0 EFADHO CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291755 1298508169 /nfs/dbraw/zinc/50/81/69/1298508169.db2.gz IBUXQIGYNQVJJI-QZTJIDSGSA-N 1 3 343.515 2.942 20 0 EFADHO CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC000961291755 1298508179 /nfs/dbraw/zinc/50/81/79/1298508179.db2.gz IBUXQIGYNQVJJI-QZTJIDSGSA-N 1 3 343.515 2.942 20 0 EFADHO CN1CCC[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)C1 ZINC001276497079 1313519886 /nfs/dbraw/zinc/51/98/86/1313519886.db2.gz RLQWMVBJBZZAKU-GBESFXJTSA-N 1 3 330.520 2.500 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)C1 ZINC001276497079 1313519888 /nfs/dbraw/zinc/51/98/88/1313519888.db2.gz RLQWMVBJBZZAKU-GBESFXJTSA-N 1 3 330.520 2.500 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276496968 1313520594 /nfs/dbraw/zinc/52/05/94/1313520594.db2.gz OECNXLIVEXSYDR-ZRNYENFQSA-N 1 3 343.515 2.526 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C[C@@H]1CCC[N@H+](C)C1 ZINC001276496968 1313520596 /nfs/dbraw/zinc/52/05/96/1313520596.db2.gz OECNXLIVEXSYDR-ZRNYENFQSA-N 1 3 343.515 2.526 20 0 EFADHO CC[C@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017765764 1313517709 /nfs/dbraw/zinc/51/77/09/1313517709.db2.gz LNPNPDNWGKGKQO-GDAAHCPNSA-N 1 3 333.520 2.582 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961343338 1298583587 /nfs/dbraw/zinc/58/35/87/1298583587.db2.gz VYCWOLWHBUMXNF-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961343338 1298583590 /nfs/dbraw/zinc/58/35/90/1298583590.db2.gz VYCWOLWHBUMXNF-PMACEKPBSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H](c1ccccc1)N1CC[C@@H](N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000903971742 1313518772 /nfs/dbraw/zinc/51/87/72/1313518772.db2.gz CSBYZGQNSPPPNB-MISYRCLQSA-N 1 3 343.515 2.570 20 0 EFADHO c1ccc2c(c1)cncc2CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903980544 1313530807 /nfs/dbraw/zinc/53/08/07/1313530807.db2.gz UMQYWHBCTXNGGZ-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO c1ccc2c(c1)cncc2CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903980544 1313530810 /nfs/dbraw/zinc/53/08/10/1313530810.db2.gz UMQYWHBCTXNGGZ-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO c1ccc2c(c1)cncc2CN1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980544 1313530814 /nfs/dbraw/zinc/53/08/14/1313530814.db2.gz UMQYWHBCTXNGGZ-BGYRXZFFSA-N 1 3 336.483 2.635 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961374276 1298641471 /nfs/dbraw/zinc/64/14/71/1298641471.db2.gz KQEAZCLVZFEHRG-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961374276 1298641482 /nfs/dbraw/zinc/64/14/82/1298641482.db2.gz KQEAZCLVZFEHRG-WOJBJXKFSA-N 1 3 349.563 2.933 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376292 1298643763 /nfs/dbraw/zinc/64/37/63/1298643763.db2.gz RLKFFMKLXBYXBW-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C3CC3)N(C)C)CC2)C1 ZINC000961376292 1298643767 /nfs/dbraw/zinc/64/37/67/1298643767.db2.gz RLKFFMKLXBYXBW-OALUTQOASA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961377592 1298648682 /nfs/dbraw/zinc/64/86/82/1298648682.db2.gz XQKKTWPTYAEBIY-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)N(C)C)CC2)C1 ZINC000961377592 1298648689 /nfs/dbraw/zinc/64/86/89/1298648689.db2.gz XQKKTWPTYAEBIY-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961377658 1298649051 /nfs/dbraw/zinc/64/90/51/1298649051.db2.gz ZHGPPLFLPHKBJD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)C3CCC3)CC2)C1 ZINC000961377658 1298649058 /nfs/dbraw/zinc/64/90/58/1298649058.db2.gz ZHGPPLFLPHKBJD-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC000961399723 1298688892 /nfs/dbraw/zinc/68/88/92/1298688892.db2.gz CJWQSHJUGZYRAL-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC000961399723 1298688901 /nfs/dbraw/zinc/68/89/01/1298688901.db2.gz CJWQSHJUGZYRAL-VQTJNVASSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+](C(C)C)C2)CC1)N(C)C ZINC000961400230 1298689672 /nfs/dbraw/zinc/68/96/72/1298689672.db2.gz FKRKRGPMGCGZQK-RBUKOAKNSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1)N(C)C ZINC000961400230 1298689684 /nfs/dbraw/zinc/68/96/84/1298689684.db2.gz FKRKRGPMGCGZQK-RBUKOAKNSA-N 1 3 337.552 2.932 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961411412 1298707451 /nfs/dbraw/zinc/70/74/51/1298707451.db2.gz NFRJBTWHZCTLBL-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H](C2CCN(C(=O)CN3CCC[C@H]3C)CC2)C1 ZINC000961411412 1298707459 /nfs/dbraw/zinc/70/74/59/1298707459.db2.gz NFRJBTWHZCTLBL-IEBWSBKVSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415090 1298713406 /nfs/dbraw/zinc/71/34/06/1298713406.db2.gz LVCLDPDVRMESDX-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415090 1298713413 /nfs/dbraw/zinc/71/34/13/1298713413.db2.gz LVCLDPDVRMESDX-KRWDZBQOSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415091 1298714107 /nfs/dbraw/zinc/71/41/07/1298714107.db2.gz LVCLDPDVRMESDX-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961415091 1298714113 /nfs/dbraw/zinc/71/41/13/1298714113.db2.gz LVCLDPDVRMESDX-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961416748 1298717792 /nfs/dbraw/zinc/71/77/92/1298717792.db2.gz VWAJBCDECGRYLL-SFHVURJKSA-N 1 3 346.519 2.949 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@H](C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC000961416748 1298717798 /nfs/dbraw/zinc/71/77/98/1298717798.db2.gz VWAJBCDECGRYLL-SFHVURJKSA-N 1 3 346.519 2.949 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccccc2C)CC1 ZINC001206890264 1313540704 /nfs/dbraw/zinc/54/07/04/1313540704.db2.gz JGSZLMBSWQBZQX-UHFFFAOYSA-N 1 3 331.504 2.665 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@H+](CCC3CC3)C2)CC1 ZINC000961417208 1298718799 /nfs/dbraw/zinc/71/87/99/1298718799.db2.gz XQZCFHSFJGBMCH-GOSISDBHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC([C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC000961417208 1298718805 /nfs/dbraw/zinc/71/88/05/1298718805.db2.gz XQZCFHSFJGBMCH-GOSISDBHSA-N 1 3 344.503 2.703 20 0 EFADHO CCCN(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001206890405 1313541304 /nfs/dbraw/zinc/54/13/04/1313541304.db2.gz QCFAQBIGBZJSMV-UHFFFAOYSA-N 1 3 349.494 2.826 20 0 EFADHO O=C(OCc1ccccc1)[C@@H]1CCCN(CC2(F)CC[NH2+]CC2)C1 ZINC001236850028 1313542351 /nfs/dbraw/zinc/54/23/51/1313542351.db2.gz IYIFWWMFKPXREY-QGZVFWFLSA-N 1 3 334.435 2.534 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961437453 1298747181 /nfs/dbraw/zinc/74/71/81/1298747181.db2.gz BBWYLHWBQKYXEN-IBGZPJMESA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000961437453 1298747184 /nfs/dbraw/zinc/74/71/84/1298747184.db2.gz BBWYLHWBQKYXEN-IBGZPJMESA-N 1 3 335.536 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@H+](CC3CCC3)C2)CC1 ZINC000961441076 1298752965 /nfs/dbraw/zinc/75/29/65/1298752965.db2.gz NLIQWJADSWJROS-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(CN1CCCC1)N1CCC([C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC000961441076 1298752970 /nfs/dbraw/zinc/75/29/70/1298752970.db2.gz NLIQWJADSWJROS-HXUWFJFHSA-N 1 3 347.547 2.833 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](CCCc2ccccc2)CC1 ZINC001490420749 1298898295 /nfs/dbraw/zinc/89/82/95/1298898295.db2.gz DKNPKYRIDKRAIQ-UHFFFAOYSA-N 1 3 345.531 2.884 20 0 EFADHO FC(F)(F)[C@@H]1CNCCN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001236975198 1313564118 /nfs/dbraw/zinc/56/41/18/1313564118.db2.gz HMJWWZLAHRUBJN-KRWDZBQOSA-N 1 3 341.421 2.735 20 0 EFADHO CCCC[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951481 1313568417 /nfs/dbraw/zinc/56/84/17/1313568417.db2.gz SWOPCASHUPKAKA-UHFFFAOYSA-N 1 3 331.504 2.990 20 0 EFADHO CC(C)C[NH2+]CC1CCN(C(=O)c2ccccc2CN(C)C)CC1 ZINC001206951520 1313568452 /nfs/dbraw/zinc/56/84/52/1313568452.db2.gz WAEBQPPXRCPFIN-UHFFFAOYSA-N 1 3 331.504 2.846 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCN(C)C)C2 ZINC001278047785 1313581299 /nfs/dbraw/zinc/58/12/99/1313581299.db2.gz HLVYLFLILSQZEQ-PZJWPPBQSA-N 1 3 345.531 2.775 20 0 EFADHO CC1=CCC=C[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCN(C)C)C2 ZINC001278047785 1313581303 /nfs/dbraw/zinc/58/13/03/1313581303.db2.gz HLVYLFLILSQZEQ-PZJWPPBQSA-N 1 3 345.531 2.775 20 0 EFADHO CCCC[C@@H](CC)CN1C[C@@H]2COC[C@H](C1)N2CCC[NH+](C)C ZINC001278049939 1313583894 /nfs/dbraw/zinc/58/38/94/1313583894.db2.gz WLJVCYRQVFOBNO-QRVBRYPASA-N 1 3 325.541 2.540 20 0 EFADHO CCCC[C@H](CC)CN1C[C@H]2CN(CCC[NH+](C)C)C[C@@H](C1)O2 ZINC001278049908 1313584246 /nfs/dbraw/zinc/58/42/46/1313584246.db2.gz VOVLZDGOWFUMLD-GBESFXJTSA-N 1 3 325.541 2.540 20 0 EFADHO CC/C=C\CCCN1CC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001278054947 1313589032 /nfs/dbraw/zinc/58/90/32/1313589032.db2.gz RVHUUFTYTWXCRM-XFHJGTJQSA-N 1 3 333.520 2.607 20 0 EFADHO Cc1cccc(C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C2CC2)c1 ZINC001490709674 1299117400 /nfs/dbraw/zinc/11/74/00/1299117400.db2.gz KDYLZCHCAKCBTL-LJQANCHMSA-N 1 3 345.531 2.957 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000961829639 1299144964 /nfs/dbraw/zinc/14/49/64/1299144964.db2.gz QJTGIENXIVSMHJ-ACBHZAAOSA-N 1 3 329.488 2.544 20 0 EFADHO c1ccc(CN2C[C@H]3C[C@@H](C2)N3CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001237187997 1313601425 /nfs/dbraw/zinc/60/14/25/1313601425.db2.gz LOURNEUGCQRHOB-BGYRXZFFSA-N 1 3 325.500 2.725 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC2CCC(C)CC2)C3)C1 ZINC001017942993 1313605062 /nfs/dbraw/zinc/60/50/62/1313605062.db2.gz XEPSKKSUOIHHNK-TUEWSUPBSA-N 1 3 347.547 2.830 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2[C@@H]3CC[C@H]2C[N@H+](CC2CCC(C)CC2)C3)C1 ZINC001017942993 1313605066 /nfs/dbraw/zinc/60/50/66/1313605066.db2.gz XEPSKKSUOIHHNK-TUEWSUPBSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCNC2=CCCC[C@@H]21 ZINC001237225988 1313609575 /nfs/dbraw/zinc/60/95/75/1313609575.db2.gz SMUKTPUZQVQZQF-INIZCTEOSA-N 1 3 332.517 2.760 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(C[C@H]3C(=O)N3CC=CC3)CC2)CCCC1 ZINC001278074378 1313613870 /nfs/dbraw/zinc/61/38/70/1313613870.db2.gz NOFDGRZTLQQWHC-SFHVURJKSA-N 1 3 345.531 2.609 20 0 EFADHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccccn1 ZINC000851945653 1299477282 /nfs/dbraw/zinc/47/72/82/1299477282.db2.gz BKDFIXYEENUYKA-YVWKXTFCSA-N 1 3 325.456 2.615 20 0 EFADHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)c1ccccn1 ZINC000851945653 1299477284 /nfs/dbraw/zinc/47/72/84/1299477284.db2.gz BKDFIXYEENUYKA-YVWKXTFCSA-N 1 3 325.456 2.615 20 0 EFADHO Cc1cc(F)cc(C)c1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001237325271 1313626719 /nfs/dbraw/zinc/62/67/19/1313626719.db2.gz IUROQXOFGCBAHU-UHFFFAOYSA-N 1 3 333.495 2.902 20 0 EFADHO CCc1cccc(C)c1C[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC001237330392 1313627438 /nfs/dbraw/zinc/62/74/38/1313627438.db2.gz QNXGHBHNAAXQLO-UHFFFAOYSA-N 1 3 343.515 2.719 20 0 EFADHO CCc1ccccc1C[NH2+]CC1CC(NC(=O)CN2CCC[C@@H]2C)C1 ZINC000962305976 1299565975 /nfs/dbraw/zinc/56/59/75/1299565975.db2.gz NPSHFHSXRAYDAP-VXESANQCSA-N 1 3 343.515 2.718 20 0 EFADHO Cc1cc(C[NH2+]CC2CC(NC(=O)CN3CCC[C@H]3C)C2)c(C)s1 ZINC000962306579 1299567353 /nfs/dbraw/zinc/56/73/53/1299567353.db2.gz OZMROAHRSIIAKU-IMUUDWKMSA-N 1 3 349.544 2.834 20 0 EFADHO Cc1cccc(C)c1C[NH2+]CC1CC(NC(=O)CN2CCC[C@H]2C)C1 ZINC000962306672 1299567394 /nfs/dbraw/zinc/56/73/94/1299567394.db2.gz PXFNPPHSINSPTE-LMDPOFIKSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC000962306709 1299569248 /nfs/dbraw/zinc/56/92/48/1299569248.db2.gz QRFNFHZJUMQIQW-IVMQYODDSA-N 1 3 335.536 2.926 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3cccc(Cl)c3)C2)C1 ZINC000962308515 1299570037 /nfs/dbraw/zinc/57/00/37/1299570037.db2.gz GNRHAIYJQLEJOH-NXVRBGIVSA-N 1 3 349.906 2.666 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000962308583 1299570244 /nfs/dbraw/zinc/57/02/44/1299570244.db2.gz ITGVGDRZZSZDME-VQSBYGRUSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1ccc(C[NH2+]CC2CC(NC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000962309195 1299572043 /nfs/dbraw/zinc/57/20/43/1299572043.db2.gz LJXZHEQRFGFZRQ-APMMTJHUSA-N 1 3 343.515 2.630 20 0 EFADHO CC1(C)CCN(CC(=O)NC2CC(C[NH2+]CC3=CCCCC3)C2)C1 ZINC000962309650 1299572111 /nfs/dbraw/zinc/57/21/11/1299572111.db2.gz PBGAEBMCAJACPC-UHFFFAOYSA-N 1 3 333.520 2.703 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]Cc3ccccc3Cl)C2)C1 ZINC000962310621 1299573098 /nfs/dbraw/zinc/57/30/98/1299573098.db2.gz ZXUYHEWBUPGCJM-HPUBIQBYSA-N 1 3 349.906 2.666 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962384700 1299648473 /nfs/dbraw/zinc/64/84/73/1299648473.db2.gz FCRNKJKHJASXJR-MHJFOBGBSA-N 1 3 343.515 2.934 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c2cccnc12 ZINC001237425586 1313642159 /nfs/dbraw/zinc/64/21/59/1313642159.db2.gz FRNJJOPOORKGRF-RBUKOAKNSA-N 1 3 342.462 2.584 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)c2cccnc12 ZINC001237425586 1313642161 /nfs/dbraw/zinc/64/21/61/1313642161.db2.gz FRNJJOPOORKGRF-RBUKOAKNSA-N 1 3 342.462 2.584 20 0 EFADHO CCC/C=C/CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262632 1313648093 /nfs/dbraw/zinc/64/80/93/1313648093.db2.gz KANDHEASYJJGRR-SZTFWKEZSA-N 1 3 341.515 2.849 20 0 EFADHO CCC/C=C/CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001207262632 1313648096 /nfs/dbraw/zinc/64/80/96/1313648096.db2.gz KANDHEASYJJGRR-SZTFWKEZSA-N 1 3 341.515 2.849 20 0 EFADHO Cc1ccc(O[C@@H]2C[C@@H]3CN(CC(C)(C)C[NH+](C)C)CCN3C2)cc1 ZINC001207283000 1313651693 /nfs/dbraw/zinc/65/16/93/1313651693.db2.gz ZYXTYFYYMHXWQU-UYAOXDASSA-N 1 3 345.531 2.720 20 0 EFADHO COC(=O)[C@@]1(C)CCCN1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207285981 1313652911 /nfs/dbraw/zinc/65/29/11/1313652911.db2.gz AJTALJJZHZWZDE-HXUWFJFHSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1CC1CC[NH+](Cc2ccccc2)CC1 ZINC001207295661 1313654328 /nfs/dbraw/zinc/65/43/28/1313654328.db2.gz YKUQOSYGFVGMCP-HSALFYBXSA-N 1 3 342.483 2.925 20 0 EFADHO C[N@H+](Cc1ccccc1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207304033 1313654739 /nfs/dbraw/zinc/65/47/39/1313654739.db2.gz IHXPXTNUMIAWEZ-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO C[N@@H+](Cc1ccccc1)C1CCN(CC(C)(C)N2CCOCC2)CC1 ZINC001207304033 1313654744 /nfs/dbraw/zinc/65/47/44/1313654744.db2.gz IHXPXTNUMIAWEZ-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO CN(Cc1ccccc1)C1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC001207304033 1313654746 /nfs/dbraw/zinc/65/47/46/1313654746.db2.gz IHXPXTNUMIAWEZ-UHFFFAOYSA-N 1 3 345.531 2.694 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC000962808169 1300085268 /nfs/dbraw/zinc/08/52/68/1300085268.db2.gz JXCLJGVHNOEGFC-ACBHZAAOSA-N 1 3 329.488 2.545 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccccc2C)C1 ZINC000962808702 1300086218 /nfs/dbraw/zinc/08/62/18/1300086218.db2.gz NOHJDJGKZZYWON-UUKMXZOPSA-N 1 3 343.515 2.854 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC000962809793 1300087968 /nfs/dbraw/zinc/08/79/68/1300087968.db2.gz VBQOAQGAWXOMQK-JCYILVPMSA-N 1 3 335.517 2.607 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000962809722 1300088122 /nfs/dbraw/zinc/08/81/22/1300088122.db2.gz RUFOTEDFHHHMIT-NKELODKYSA-N 1 3 347.547 2.926 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962810426 1300090135 /nfs/dbraw/zinc/09/01/35/1300090135.db2.gz YYYGOWCRYLYJRU-VMWRSERWSA-N 1 3 335.536 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC000962810423 1300090398 /nfs/dbraw/zinc/09/03/98/1300090398.db2.gz YYYGOWCRYLYJRU-VJFUWPCTSA-N 1 3 335.536 2.781 20 0 EFADHO COc1ccc(Cl)cc1N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001207398810 1313675552 /nfs/dbraw/zinc/67/55/52/1313675552.db2.gz NZLXMNOHHVBFGE-UHFFFAOYSA-N 1 3 337.895 2.812 20 0 EFADHO CN(C(=O)[C@H]1CCCN1C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963157087 1300377740 /nfs/dbraw/zinc/37/77/40/1300377740.db2.gz MLKWYTRQAIKZFR-CTWPCTMYSA-N 1 3 333.520 2.940 20 0 EFADHO C[NH+]1CCC(CCN2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001207481774 1313697043 /nfs/dbraw/zinc/69/70/43/1313697043.db2.gz OVBYLRIJHBFTFF-UHFFFAOYSA-N 1 3 325.497 2.661 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(CCC1CC[NH+](C)CC1)[C@H]2C ZINC001207482836 1313697191 /nfs/dbraw/zinc/69/71/91/1313697191.db2.gz PFHXIKOSSSYYQI-KRWDZBQOSA-N 1 3 347.551 2.832 20 0 EFADHO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306179 1300554803 /nfs/dbraw/zinc/55/48/03/1300554803.db2.gz MRWONPDNRYDYCH-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000963306179 1300554807 /nfs/dbraw/zinc/55/48/07/1300554807.db2.gz MRWONPDNRYDYCH-ROUUACIJSA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@H+](Cc3cccc4c3OCC4)C2)C1 ZINC001237741201 1313699214 /nfs/dbraw/zinc/69/92/14/1313699214.db2.gz CUWMZDBIULYBLK-NRFANRHFSA-N 1 3 344.499 2.944 20 0 EFADHO CC(C)N1CCOC[C@]2(CCC[N@@H+](Cc3cccc4c3OCC4)C2)C1 ZINC001237741201 1313699216 /nfs/dbraw/zinc/69/92/16/1313699216.db2.gz CUWMZDBIULYBLK-NRFANRHFSA-N 1 3 344.499 2.944 20 0 EFADHO CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314382 1300576375 /nfs/dbraw/zinc/57/63/75/1300576375.db2.gz KLMXPSJYYCAWRO-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000963314382 1300576381 /nfs/dbraw/zinc/57/63/81/1300576381.db2.gz KLMXPSJYYCAWRO-ZWKOTPCHSA-N 1 3 335.536 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CCC3CC3)C2)CCC1 ZINC000963314422 1300578480 /nfs/dbraw/zinc/57/84/80/1300578480.db2.gz LDAFQRVLIHKDHF-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([C@H]3CCC[N@H+]3CCC3CC3)C2)CCC1 ZINC000963314422 1300578489 /nfs/dbraw/zinc/57/84/89/1300578489.db2.gz LDAFQRVLIHKDHF-RTBURBONSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359704 1300683239 /nfs/dbraw/zinc/68/32/39/1300683239.db2.gz ICWCMKOWGFLMLO-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000963359704 1300683242 /nfs/dbraw/zinc/68/32/42/1300683242.db2.gz ICWCMKOWGFLMLO-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CCCC1)N(C)C ZINC001110694735 1300761156 /nfs/dbraw/zinc/76/11/56/1300761156.db2.gz JFXKGNDWWANRKL-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1)N(C)C ZINC001110694735 1300761159 /nfs/dbraw/zinc/76/11/59/1300761159.db2.gz JFXKGNDWWANRKL-YRXWBPOGSA-N 1 3 335.536 2.874 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4C)cc21 ZINC001237876750 1313725421 /nfs/dbraw/zinc/72/54/21/1313725421.db2.gz IPUHJGCUUKPITK-RTBURBONSA-N 1 3 339.483 2.883 20 0 EFADHO CC(C)C1=NCCc2ccc(C[N@H+]3CC[C@@H]4[C@H]3CCC(=O)N4C)cc21 ZINC001237876750 1313725425 /nfs/dbraw/zinc/72/54/25/1313725425.db2.gz IPUHJGCUUKPITK-RTBURBONSA-N 1 3 339.483 2.883 20 0 EFADHO CC(C)C1=NCCc2ccc(C[NH+]3CCC4(CNC(=O)O4)CC3)cc21 ZINC001237886535 1313726782 /nfs/dbraw/zinc/72/67/82/1313726782.db2.gz ONGLMMRNCCWDIW-UHFFFAOYSA-N 1 3 341.455 2.762 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000776804238 1300910461 /nfs/dbraw/zinc/91/04/61/1300910461.db2.gz DUHYTZFCWVPNFJ-FXAWDEMLSA-N 1 3 330.520 2.971 20 0 EFADHO CCN1CCN(c2ccc(N[C@@H]3CC[N@@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000776804238 1300910467 /nfs/dbraw/zinc/91/04/67/1300910467.db2.gz DUHYTZFCWVPNFJ-FXAWDEMLSA-N 1 3 330.520 2.971 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018176338 1313727724 /nfs/dbraw/zinc/72/77/24/1313727724.db2.gz GXAPDERQKWEGQG-HCXYKTFWSA-N 1 3 335.536 2.828 20 0 EFADHO Oc1ccc(CC[N@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278160471 1313728091 /nfs/dbraw/zinc/72/80/91/1313728091.db2.gz MEFLKVGPFFZHEB-KDURUIRLSA-N 1 3 340.471 2.502 20 0 EFADHO Oc1ccc(CC[N@@H+]2C[C@@H]3CCN(Cc4cn[nH]c4)CC[C@@H]3C2)cc1 ZINC001278160471 1313728093 /nfs/dbraw/zinc/72/80/93/1313728093.db2.gz MEFLKVGPFFZHEB-KDURUIRLSA-N 1 3 340.471 2.502 20 0 EFADHO CN1CCC[N@H+](CCCNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000113336909 1300959349 /nfs/dbraw/zinc/95/93/49/1300959349.db2.gz OBSZBGLZFHWTFR-UHFFFAOYSA-N 1 3 347.400 2.962 20 0 EFADHO CN1CCC[N@@H+](CCCNCc2cc(C(F)(F)F)ccc2F)CC1 ZINC000113336909 1300959357 /nfs/dbraw/zinc/95/93/57/1300959357.db2.gz OBSZBGLZFHWTFR-UHFFFAOYSA-N 1 3 347.400 2.962 20 0 EFADHO Cc1ccc(CC[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207649942 1313739366 /nfs/dbraw/zinc/73/93/66/1313739366.db2.gz OPICCVIYGWVTQO-RLLQIKCJSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(CC[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001207649942 1313739368 /nfs/dbraw/zinc/73/93/68/1313739368.db2.gz OPICCVIYGWVTQO-RLLQIKCJSA-N 1 3 345.531 2.560 20 0 EFADHO Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001207653199 1313741854 /nfs/dbraw/zinc/74/18/54/1313741854.db2.gz YKAIZQGPWRHMLM-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001207653199 1313741855 /nfs/dbraw/zinc/74/18/55/1313741855.db2.gz YKAIZQGPWRHMLM-RLLQIKCJSA-N 1 3 345.531 2.826 20 0 EFADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3c4ccoc4ccc3F)[C@@H]2C1 ZINC001278173999 1313742617 /nfs/dbraw/zinc/74/26/17/1313742617.db2.gz VFFPNKPUPOJBCI-KBXCAEBGSA-N 1 3 331.435 2.640 20 0 EFADHO CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3c4ccoc4ccc3F)[C@@H]2C1 ZINC001278173999 1313742618 /nfs/dbraw/zinc/74/26/18/1313742618.db2.gz VFFPNKPUPOJBCI-KBXCAEBGSA-N 1 3 331.435 2.640 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001017265410 1301321445 /nfs/dbraw/zinc/32/14/45/1301321445.db2.gz AMCKXYAVKGNFPD-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017265410 1301321455 /nfs/dbraw/zinc/32/14/55/1301321455.db2.gz AMCKXYAVKGNFPD-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC000963808507 1301334795 /nfs/dbraw/zinc/33/47/95/1301334795.db2.gz JFDMSNMTSDFMMP-UHFFFAOYSA-N 1 3 335.536 2.924 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001207757767 1313766326 /nfs/dbraw/zinc/76/63/26/1313766326.db2.gz LVXYNHAWGLNVPK-LZQZEXGQSA-N 1 3 343.515 2.841 20 0 EFADHO CCN(C)C(C)(C)C(=O)N[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001207757767 1313766328 /nfs/dbraw/zinc/76/63/28/1313766328.db2.gz LVXYNHAWGLNVPK-LZQZEXGQSA-N 1 3 343.515 2.841 20 0 EFADHO CN(C(=O)CN1CCC(C)(C)C1)C1CCC([NH2+]CC2CCC2)CC1 ZINC000963901879 1301452490 /nfs/dbraw/zinc/45/24/90/1301452490.db2.gz APAQJYAZLQQAEV-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C(=O)Cc1c[nH]cn1)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000963955120 1301515628 /nfs/dbraw/zinc/51/56/28/1301515628.db2.gz JEUROOLVRCNKKI-UHFFFAOYSA-N 1 3 330.476 2.812 20 0 EFADHO CN(C1CC1)C1CC[NH+](C[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 ZINC001207781824 1313773180 /nfs/dbraw/zinc/77/31/80/1313773180.db2.gz NAEXRXTXSDYCNP-NNZMDNLPSA-N 1 3 349.519 2.658 20 0 EFADHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CC1(C)COC1)CC2 ZINC001207794725 1313776228 /nfs/dbraw/zinc/77/62/28/1313776228.db2.gz KUPXNGWIGAQRGT-LJQANCHMSA-N 1 3 344.499 2.778 20 0 EFADHO CC1CCN(CC(=O)N(C)C2CCC([NH2+]CC3CCC3)CC2)CC1 ZINC000964034835 1301634151 /nfs/dbraw/zinc/63/41/51/1301634151.db2.gz BQMYKGATHWWAPY-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CC[NH2+]C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001202502276 1301645167 /nfs/dbraw/zinc/64/51/67/1301645167.db2.gz BUYZFSUTHYYKRG-LJQANCHMSA-N 1 3 339.499 2.746 20 0 EFADHO Cc1nc(CN2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001276309226 1301761998 /nfs/dbraw/zinc/76/19/98/1301761998.db2.gz XGPVBKMIWCLNFD-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO Cc1nc(CN2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cs1 ZINC001276309226 1301762001 /nfs/dbraw/zinc/76/20/01/1301762001.db2.gz XGPVBKMIWCLNFD-IYBDPMFKSA-N 1 3 331.489 2.519 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018309963 1313805288 /nfs/dbraw/zinc/80/52/88/1313805288.db2.gz BTWJNLJRQVQLMJ-OTWHNJEPSA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018309962 1313805388 /nfs/dbraw/zinc/80/53/88/1313805388.db2.gz BTWJNLJRQVQLMJ-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC[C@@H](C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018311035 1313805908 /nfs/dbraw/zinc/80/59/08/1313805908.db2.gz XPDRPCDKAQKITI-YRXWBPOGSA-N 1 3 335.536 2.828 20 0 EFADHO CC1(C[N@@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CCOCC1 ZINC001207968867 1313814398 /nfs/dbraw/zinc/81/43/98/1313814398.db2.gz RLTHCTMAXRHGNK-RBUKOAKNSA-N 1 3 336.520 2.626 20 0 EFADHO CC1(C[N@H+]2C[C@@H]3CN(CC4CCCC4)CCO[C@@H]3C2)CCOCC1 ZINC001207968867 1313814399 /nfs/dbraw/zinc/81/43/99/1313814399.db2.gz RLTHCTMAXRHGNK-RBUKOAKNSA-N 1 3 336.520 2.626 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001208013660 1313825188 /nfs/dbraw/zinc/82/51/88/1313825188.db2.gz IZUJKWZRENGFFP-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001208048228 1313833518 /nfs/dbraw/zinc/83/35/18/1313833518.db2.gz DPKGANMXSFFYGO-JKSUJKDBSA-N 1 3 327.488 2.580 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]21 ZINC001208090952 1313845400 /nfs/dbraw/zinc/84/54/00/1313845400.db2.gz KRTUKGMSMFBCFK-QYZOEREBSA-N 1 3 331.508 2.643 20 0 EFADHO CN1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCCC3CCCC3)CC[C@@H]21 ZINC001208090952 1313845402 /nfs/dbraw/zinc/84/54/02/1313845402.db2.gz KRTUKGMSMFBCFK-QYZOEREBSA-N 1 3 331.508 2.643 20 0 EFADHO Cc1cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cnc1C1CC1 ZINC001238632344 1313848451 /nfs/dbraw/zinc/84/84/51/1313848451.db2.gz RZIGJGVUKBSSTP-UHFFFAOYSA-N 1 3 342.531 2.727 20 0 EFADHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CC1([NH+](C)C)CCCC1 ZINC001208122753 1313852395 /nfs/dbraw/zinc/85/23/95/1313852395.db2.gz FIVYUWFOLUIBIX-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@@H+]1C ZINC001097101426 1313852354 /nfs/dbraw/zinc/85/23/54/1313852354.db2.gz OUPOWDFPOBBEFV-SJQORLFUSA-N 1 3 331.504 2.549 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC2=CCCCC2)CC[N@H+]1C ZINC001097101426 1313852358 /nfs/dbraw/zinc/85/23/58/1313852358.db2.gz OUPOWDFPOBBEFV-SJQORLFUSA-N 1 3 331.504 2.549 20 0 EFADHO CC(C)N(C)Cc1cnc2n1CCN(CC1(C)CC[NH+](C)CC1)[C@@H]2C ZINC001208107964 1313849148 /nfs/dbraw/zinc/84/91/48/1313849148.db2.gz YJQSWJVXNGXBHT-QGZVFWFLSA-N 1 3 347.551 2.832 20 0 EFADHO c1nn2c(c1-c1cccc(OCC[NH+]3CCCCC3)c1)CNCC2 ZINC000863682652 1302687174 /nfs/dbraw/zinc/68/71/74/1302687174.db2.gz NLLXOEXDTMUJBX-UHFFFAOYSA-N 1 3 326.444 2.518 20 0 EFADHO CN(C)CC1(C[NH+]2CCC3(CC2)OC(=O)c2ccncc23)CCCC1 ZINC001208187440 1313864886 /nfs/dbraw/zinc/86/48/86/1313864886.db2.gz KZQQBBDDQFRPSP-UHFFFAOYSA-N 1 3 343.471 2.665 20 0 EFADHO CC(=O)N1CCCC[C@]12CCCN(CC1(C[NH+](C)C)CCCC1)C2 ZINC001208187500 1313864897 /nfs/dbraw/zinc/86/48/97/1313864897.db2.gz XPGHSBHHDVDSAT-HXUWFJFHSA-N 1 3 335.536 2.975 20 0 EFADHO C[NH+](C)CC1(CN2CCC3(CC(=O)N(CC4CC4)C3)CC2)CCCC1 ZINC001208188882 1313865206 /nfs/dbraw/zinc/86/52/06/1313865206.db2.gz OVEDVSUHEILCOC-UHFFFAOYSA-N 1 3 347.547 2.833 20 0 EFADHO COc1cc(O[C@H]2CC[N@H+](CC3(CN(C)C)CCCC3)C2)ccn1 ZINC001208189223 1313865271 /nfs/dbraw/zinc/86/52/71/1313865271.db2.gz SECWSLXKEKRQTK-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO COc1cc(O[C@H]2CC[N@@H+](CC3(CN(C)C)CCCC3)C2)ccn1 ZINC001208189223 1313865273 /nfs/dbraw/zinc/86/52/73/1313865273.db2.gz SECWSLXKEKRQTK-KRWDZBQOSA-N 1 3 333.476 2.665 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC2CCCCC2)C3)C1 ZINC000965063162 1302785075 /nfs/dbraw/zinc/78/50/75/1302785075.db2.gz KUTMRXPBJSTKEF-WOLZCAMPSA-N 1 3 347.547 2.926 20 0 EFADHO CC(C)[NH2+]C1CC2(CC(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)C2)C1 ZINC000965063139 1302785657 /nfs/dbraw/zinc/78/56/57/1302785657.db2.gz KCXHKWSRPQKWER-BCOZGUIHSA-N 1 3 339.499 2.624 20 0 EFADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]Cc2ccccc2)C3)C1 ZINC000965065703 1302789309 /nfs/dbraw/zinc/78/93/09/1302789309.db2.gz YPOWLUHLMVDUAJ-WOLZCAMPSA-N 1 3 341.499 2.545 20 0 EFADHO c1ccc(C2(CN3CCN(c4cc[nH+]cc4)CC3)CCOCC2)cc1 ZINC001208216124 1313872129 /nfs/dbraw/zinc/87/21/29/1313872129.db2.gz IDODPCYVFPGGSC-UHFFFAOYSA-N 1 3 337.467 2.952 20 0 EFADHO c1ccc(C2(C[NH+]3CCN(c4ccncc4)CC3)CCOCC2)cc1 ZINC001208216124 1313872132 /nfs/dbraw/zinc/87/21/32/1313872132.db2.gz IDODPCYVFPGGSC-UHFFFAOYSA-N 1 3 337.467 2.952 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119989802 1302879608 /nfs/dbraw/zinc/87/96/08/1302879608.db2.gz WDSHZMAKSBZCEM-HKUYNNGSSA-N 1 3 343.515 2.982 20 0 EFADHO C[C@H]1C[C@@H](N(C)C(=O)C2(N(C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000119989802 1302879625 /nfs/dbraw/zinc/87/96/25/1302879625.db2.gz WDSHZMAKSBZCEM-HKUYNNGSSA-N 1 3 343.515 2.982 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208279149 1313887078 /nfs/dbraw/zinc/88/70/78/1313887078.db2.gz IWMKFVQHBMBCPL-UONOGXRCSA-N 1 3 348.318 2.760 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001208279149 1313887081 /nfs/dbraw/zinc/88/70/81/1313887081.db2.gz IWMKFVQHBMBCPL-UONOGXRCSA-N 1 3 348.318 2.760 20 0 EFADHO CCN1CCN([C@H](C)C[NH2+]Cc2ccc(OC(F)F)cc2F)CC1 ZINC000865415288 1303244660 /nfs/dbraw/zinc/24/46/60/1303244660.db2.gz ZFVCYVLMRCVFSY-CYBMUJFWSA-N 1 3 345.409 2.543 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCCCC(F)(F)F)C1)C1CC1 ZINC001208335706 1313902942 /nfs/dbraw/zinc/90/29/42/1313902942.db2.gz ZCZSRHSSPSJQTC-CABCVRRESA-N 1 3 349.441 2.640 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccsc1)C2 ZINC000965885593 1303408196 /nfs/dbraw/zinc/40/81/96/1303408196.db2.gz BNXYUMJZWKTEFH-UHFFFAOYSA-N 1 3 344.484 2.539 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC2CC3(C2)CC([NH2+]CC2CC2)C3)c1 ZINC000965929034 1303459205 /nfs/dbraw/zinc/45/92/05/1303459205.db2.gz YEMTYGVDTWGALQ-UHFFFAOYSA-N 1 3 341.499 2.789 20 0 EFADHO Cc1cc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)ccc1Cl ZINC001239218354 1313915188 /nfs/dbraw/zinc/91/51/88/1313915188.db2.gz ZFFUFZTVHKOPBJ-CQSZACIVSA-N 1 3 336.867 2.644 20 0 EFADHO Cc1c(Cl)cccc1NC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239213741 1313914518 /nfs/dbraw/zinc/91/45/18/1313914518.db2.gz DWUMJADSHWNVPQ-ZDUSSCGKSA-N 1 3 336.867 2.644 20 0 EFADHO CC(C)c1ccc(NC(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cc1 ZINC001239213659 1313914744 /nfs/dbraw/zinc/91/47/44/1313914744.db2.gz DHJNWQRLVPXWEH-QGZVFWFLSA-N 1 3 330.476 2.806 20 0 EFADHO CC(C)c1ccc(NC(=O)N(CCN(C)C)[C@H]2CCC[NH2+]C2)cc1 ZINC001239307987 1313924037 /nfs/dbraw/zinc/92/40/37/1313924037.db2.gz MLGAIVDTNCIBCD-SFHVURJKSA-N 1 3 332.492 2.958 20 0 EFADHO CN(C)CCN(C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCC[NH2+]C1 ZINC001239308047 1313923821 /nfs/dbraw/zinc/92/38/21/1313923821.db2.gz OAUQWMFETQNNQO-LJQANCHMSA-N 1 3 340.471 2.987 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCCc2ccccc2C)C1)N(C)C ZINC001208414820 1313924299 /nfs/dbraw/zinc/92/42/99/1313924299.db2.gz YJIPDXNGKMNCEN-VQTJNVASSA-N 1 3 345.531 2.848 20 0 EFADHO O=C(NC[C@H]1CCC2(CCNCC2)[NH2+]1)Oc1ccc2ccccc2c1 ZINC001239317767 1313925046 /nfs/dbraw/zinc/92/50/46/1313925046.db2.gz IWWFIUPBQRHOHN-QGZVFWFLSA-N 1 3 339.439 2.802 20 0 EFADHO CCCC[C@H](CC)COC(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239319669 1313925377 /nfs/dbraw/zinc/92/53/77/1313925377.db2.gz REPTWVLQQRPBEX-HOTGVXAUSA-N 1 3 325.497 2.803 20 0 EFADHO CCCC[C@@H](CC)COC(=O)N(CCN(C)C)C1CC[NH2+]CC1 ZINC001239340009 1313926946 /nfs/dbraw/zinc/92/69/46/1313926946.db2.gz HMDIVAMFQRAUCJ-MRXNPFEDSA-N 1 3 327.513 2.955 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001208447654 1313930896 /nfs/dbraw/zinc/93/08/96/1313930896.db2.gz PTRIAROVHUJVRJ-QGZVFWFLSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC001037852497 1303705275 /nfs/dbraw/zinc/70/52/75/1303705275.db2.gz MEMZFQQHJKETPB-IAGOWNOFSA-N 1 3 349.544 2.949 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC001208454320 1313933068 /nfs/dbraw/zinc/93/30/68/1313933068.db2.gz UTYZFZKWYSBKPX-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001208454579 1313933165 /nfs/dbraw/zinc/93/31/65/1313933165.db2.gz YIUKSTCBBHASMA-GOSISDBHSA-N 1 3 349.494 2.945 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001208453154 1313933453 /nfs/dbraw/zinc/93/34/53/1313933453.db2.gz BHWWRTPESDVEQA-IEBWSBKVSA-N 1 3 343.515 2.985 20 0 EFADHO CCCc1ccc(CN2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001208492121 1313942931 /nfs/dbraw/zinc/94/29/31/1313942931.db2.gz DQYZFZBIYWHOOV-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@@H]1CN([C@@H]2CCCc3ccc(F)cc32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493164 1313943614 /nfs/dbraw/zinc/94/36/14/1313943614.db2.gz VDQMZCYIQBAOJA-NIKGAXFTSA-N 1 3 347.478 2.591 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496499 1313944162 /nfs/dbraw/zinc/94/41/62/1313944162.db2.gz WIKQDHPJDLUWRR-OLMNPRSZSA-N 1 3 335.467 2.665 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC4CCCCCC4)C[C@H]32)CCC1 ZINC001114407300 1303906903 /nfs/dbraw/zinc/90/69/03/1303906903.db2.gz VXPQMBGSSJXQKU-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CCCCCC4)C[C@H]32)CCC1 ZINC001114407300 1303906909 /nfs/dbraw/zinc/90/69/09/1303906909.db2.gz VXPQMBGSSJXQKU-BWTSREIZSA-N 1 3 347.547 2.878 20 0 EFADHO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000868187877 1304178699 /nfs/dbraw/zinc/17/86/99/1304178699.db2.gz OEIFBZRVCKEEFO-ZWKOTPCHSA-N 1 3 328.460 2.593 20 0 EFADHO CCOc1ccccc1N1CCN(CC2CC[NH+](CC)CC2)CC1 ZINC001208594761 1313971185 /nfs/dbraw/zinc/97/11/85/1313971185.db2.gz NKUOATKFKCPGMM-UHFFFAOYSA-N 1 3 331.504 2.939 20 0 EFADHO CC[NH+]1CCC(CN2CCC[C@H](c3noc(C(F)(F)F)n3)C2)CC1 ZINC001208598023 1313972937 /nfs/dbraw/zinc/97/29/37/1313972937.db2.gz QFAIWCYXBOCAMA-ZDUSSCGKSA-N 1 3 346.397 3.000 20 0 EFADHO CN1CCC[C@H](C[N@@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607302 1313977646 /nfs/dbraw/zinc/97/76/46/1313977646.db2.gz LJCPXZSRXJFJAR-NWDGAFQWSA-N 1 3 332.370 2.610 20 0 EFADHO CN1CCC[C@H](C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)C1 ZINC001208607302 1313977648 /nfs/dbraw/zinc/97/76/48/1313977648.db2.gz LJCPXZSRXJFJAR-NWDGAFQWSA-N 1 3 332.370 2.610 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)C1 ZINC001208609235 1313978378 /nfs/dbraw/zinc/97/83/78/1313978378.db2.gz ZOLHASRIIYHPJA-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2C[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2)C1 ZINC001208609235 1313978382 /nfs/dbraw/zinc/97/83/82/1313978382.db2.gz ZOLHASRIIYHPJA-ZACQAIPSSA-N 1 3 337.508 2.660 20 0 EFADHO Cc1cnc(CN2CCC[C@]3(CCC[N@@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306211 1313980194 /nfs/dbraw/zinc/98/01/94/1313980194.db2.gz BMMCLGVJLRNONS-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cnc(CN2CCC[C@]3(CCC[N@H+](CCN(C)C)C3)C2)c(C)c1 ZINC001278306211 1313980198 /nfs/dbraw/zinc/98/01/98/1313980198.db2.gz BMMCLGVJLRNONS-NRFANRHFSA-N 1 3 344.547 2.938 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001018635033 1313982521 /nfs/dbraw/zinc/98/25/21/1313982521.db2.gz MLDJSABZPMXALB-PMACEKPBSA-N 1 3 337.467 2.625 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001018635041 1313982712 /nfs/dbraw/zinc/98/27/12/1313982712.db2.gz MLDJSABZPMXALB-VQTJNVASSA-N 1 3 337.467 2.625 20 0 EFADHO C[N@@H+]1CCC[C@@H](CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619114 1313982990 /nfs/dbraw/zinc/98/29/90/1313982990.db2.gz VQPXBQJTMGTHLK-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO C[N@H+]1CCC[C@@H](CN2CCC[C@@H](C(=O)OCc3ccccc3)C2)C1 ZINC001208619114 1313982993 /nfs/dbraw/zinc/98/29/93/1313982993.db2.gz VQPXBQJTMGTHLK-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)[C@H](C)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001208714968 1313999989 /nfs/dbraw/zinc/99/99/89/1313999989.db2.gz XCWDXZWEDGBRFA-MRXNPFEDSA-N 1 3 345.487 2.567 20 0 EFADHO COC(=O)[C@@H](C)C[NH+]1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC001208714966 1314000672 /nfs/dbraw/zinc/00/06/72/1314000672.db2.gz XCWDXZWEDGBRFA-INIZCTEOSA-N 1 3 345.487 2.567 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203587 1304747899 /nfs/dbraw/zinc/74/78/99/1304747899.db2.gz FDDTXWHOAUOPKY-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203587 1304747900 /nfs/dbraw/zinc/74/79/00/1304747900.db2.gz FDDTXWHOAUOPKY-FUHWJXTLSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203588 1304748071 /nfs/dbraw/zinc/74/80/71/1304748071.db2.gz FDDTXWHOAUOPKY-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCCN2CCC3)C1 ZINC000967203588 1304748075 /nfs/dbraw/zinc/74/80/75/1304748075.db2.gz FDDTXWHOAUOPKY-SJLPKXTDSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CC[N@H+](CCC(C)(C)C)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967205512 1304749191 /nfs/dbraw/zinc/74/91/91/1304749191.db2.gz KWTRFYPLKDAOEU-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CC[N@@H+](CCC(C)(C)C)C[C@@H]1NC(=O)C12CCCN1CCC2 ZINC000967205512 1304749197 /nfs/dbraw/zinc/74/91/97/1304749197.db2.gz KWTRFYPLKDAOEU-IRXDYDNUSA-N 1 3 335.536 2.878 20 0 EFADHO COc1cccc(F)c1CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001276585451 1314007693 /nfs/dbraw/zinc/00/76/93/1314007693.db2.gz FXFTUBIAXGUMKH-FQEVSTJZSA-N 1 3 349.494 2.684 20 0 EFADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001037933096 1304891368 /nfs/dbraw/zinc/89/13/68/1304891368.db2.gz KUUGWLPPDJPMEP-KDOFPFPSSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC001037933097 1304891834 /nfs/dbraw/zinc/89/18/34/1304891834.db2.gz KUUGWLPPDJPMEP-KSSFIOAISA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC001037933106 1304892983 /nfs/dbraw/zinc/89/29/83/1304892983.db2.gz KXORYKKEHGRQPR-YJBOKZPZSA-N 1 3 344.434 2.508 20 0 EFADHO CC[C@H](CCC(=O)OC)CN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001208798195 1314019122 /nfs/dbraw/zinc/01/91/22/1314019122.db2.gz RNLSOVPCUXGGGK-OAHLLOKOSA-N 1 3 328.472 2.864 20 0 EFADHO [NH3+]C1CCN(c2cncc(C3=CCCN(Cc4ccccc4)C3)n2)CC1 ZINC001240385932 1314026858 /nfs/dbraw/zinc/02/68/58/1314026858.db2.gz RDOSEZWLNCAFDK-UHFFFAOYSA-N 1 3 349.482 2.693 20 0 EFADHO CN1CCN(Cc2ccc(-c3ccc([C@H]4CCC[NH2+]4)cn3)cc2)CC1 ZINC001240389643 1314027945 /nfs/dbraw/zinc/02/79/45/1314027945.db2.gz HIGYEXNNEHRONP-HXUWFJFHSA-N 1 3 336.483 2.921 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H]2C[N@@H+](CCN(C)C)C[C@H]21 ZINC001276597759 1314043128 /nfs/dbraw/zinc/04/31/28/1314043128.db2.gz PVPBTXUWNRNRPP-MGPUTAFESA-N 1 3 344.478 2.683 20 0 EFADHO Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H]2C[N@H+](CCN(C)C)C[C@H]21 ZINC001276597759 1314043130 /nfs/dbraw/zinc/04/31/30/1314043130.db2.gz PVPBTXUWNRNRPP-MGPUTAFESA-N 1 3 344.478 2.683 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H](NCC=C(Cl)Cl)C1)[NH+]1CCCC1 ZINC001208918693 1314046243 /nfs/dbraw/zinc/04/62/43/1314046243.db2.gz KSSOUVAJTPMLBG-CYBMUJFWSA-N 1 3 348.318 2.760 20 0 EFADHO CC1(C)CC(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCCN2CCC4)C3)C1 ZINC001097430354 1314046736 /nfs/dbraw/zinc/04/67/36/1314046736.db2.gz KDUDXIFIJWJISZ-KURKYZTESA-N 1 3 345.531 2.773 20 0 EFADHO CC1(C)CC(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCCN2CCC4)C3)C1 ZINC001097430354 1314046737 /nfs/dbraw/zinc/04/67/37/1314046737.db2.gz KDUDXIFIJWJISZ-KURKYZTESA-N 1 3 345.531 2.773 20 0 EFADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718793 1305359790 /nfs/dbraw/zinc/35/97/90/1305359790.db2.gz UWCRBOKJVYPGKS-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CN(CC2CCCCCC2)C1 ZINC001042718793 1305359801 /nfs/dbraw/zinc/35/98/01/1305359801.db2.gz UWCRBOKJVYPGKS-RBUKOAKNSA-N 1 3 347.547 2.974 20 0 EFADHO CCN(CCN1CCOCC1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208938680 1314051783 /nfs/dbraw/zinc/05/17/83/1314051783.db2.gz DCHMAYHDWJINLZ-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO CCN(CCN1CCOCC1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208938680 1314051786 /nfs/dbraw/zinc/05/17/86/1314051786.db2.gz DCHMAYHDWJINLZ-OAQYLSRUSA-N 1 3 345.531 2.553 20 0 EFADHO CC(=O)N(C)C1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208938664 1314051869 /nfs/dbraw/zinc/05/18/69/1314051869.db2.gz CRFBVEVEURLRSN-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO CC(=O)N(C)C1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208938664 1314051871 /nfs/dbraw/zinc/05/18/71/1314051871.db2.gz CRFBVEVEURLRSN-HXUWFJFHSA-N 1 3 343.515 2.841 20 0 EFADHO COC(=O)C[C@H]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC001208943009 1314053986 /nfs/dbraw/zinc/05/39/86/1314053986.db2.gz LBWFYIWQOPRYJP-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO COC(=O)C[C@H]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208943009 1314053989 /nfs/dbraw/zinc/05/39/89/1314053989.db2.gz LBWFYIWQOPRYJP-RTBURBONSA-N 1 3 330.472 2.784 20 0 EFADHO O=C1OCCC12CCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208945021 1314054583 /nfs/dbraw/zinc/05/45/83/1314054583.db2.gz QVTCRPWRXDBIBY-LJQANCHMSA-N 1 3 342.483 2.928 20 0 EFADHO O=C1OCCC12CCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001208945021 1314054585 /nfs/dbraw/zinc/05/45/85/1314054585.db2.gz QVTCRPWRXDBIBY-LJQANCHMSA-N 1 3 342.483 2.928 20 0 EFADHO COC(=O)[C@H]1CN(C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946885 1314055437 /nfs/dbraw/zinc/05/54/37/1314055437.db2.gz JJKSQUCQPMUMDF-RBUKOAKNSA-N 1 3 342.483 2.784 20 0 EFADHO COC(=O)[C@H]1CN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC12CC2 ZINC001208946885 1314055440 /nfs/dbraw/zinc/05/54/40/1314055440.db2.gz JJKSQUCQPMUMDF-RBUKOAKNSA-N 1 3 342.483 2.784 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208952826 1314055966 /nfs/dbraw/zinc/05/59/66/1314055966.db2.gz MFSLURTVYUYVFN-GOSISDBHSA-N 1 3 343.515 2.732 20 0 EFADHO CC(C)(C(N)=O)C1CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208952826 1314055968 /nfs/dbraw/zinc/05/59/68/1314055968.db2.gz MFSLURTVYUYVFN-GOSISDBHSA-N 1 3 343.515 2.732 20 0 EFADHO CCOCC[NH+](CCOCC)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208952351 1314056417 /nfs/dbraw/zinc/05/64/17/1314056417.db2.gz IZPGGLFCGCTKLD-HXUWFJFHSA-N 1 3 334.504 2.884 20 0 EFADHO CC(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956816 1314058230 /nfs/dbraw/zinc/05/82/30/1314058230.db2.gz INHGZLMXMPIPAN-WOJBJXKFSA-N 1 3 343.515 2.745 20 0 EFADHO CC(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208956816 1314058232 /nfs/dbraw/zinc/05/82/32/1314058232.db2.gz INHGZLMXMPIPAN-WOJBJXKFSA-N 1 3 343.515 2.745 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]C/C=C/c2ccccc2)CC1)N(C)C ZINC001202531296 1305499646 /nfs/dbraw/zinc/49/96/46/1305499646.db2.gz FETIVZRHOJPHBQ-BLRBJFNZSA-N 1 3 329.488 2.621 20 0 EFADHO CC[C@@H]1CN(C(=O)c2ccccc2CN(C)C)CC[C@H]1[NH2+]CC1CC1 ZINC001037981972 1305582949 /nfs/dbraw/zinc/58/29/49/1305582949.db2.gz HUMWOJABMRKPME-YLJYHZDGSA-N 1 3 343.515 2.989 20 0 EFADHO CC[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]C(C)C ZINC001037982381 1305585984 /nfs/dbraw/zinc/58/59/84/1305585984.db2.gz KDBBMFLQGODLHF-PKOBYXMFSA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC[C@H]1[NH2+]CC1CC1 ZINC001037985593 1305593872 /nfs/dbraw/zinc/59/38/72/1305593872.db2.gz WISMQDXBUPREJJ-UYAOXDASSA-N 1 3 343.515 2.989 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1 ZINC000967924964 1305605522 /nfs/dbraw/zinc/60/55/22/1305605522.db2.gz LEWYIAFJRHETJI-RTBURBONSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967923941 1305606042 /nfs/dbraw/zinc/60/60/42/1305606042.db2.gz CQHIAGJVTHGXKN-IEBWSBKVSA-N 1 3 329.488 2.595 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000967924961 1305606056 /nfs/dbraw/zinc/60/60/56/1305606056.db2.gz LEWYIAFJRHETJI-MOPGFXCFSA-N 1 3 329.488 2.595 20 0 EFADHO CC[C@@H](C(=O)N1CCC([NH2+]CCCc2ccc(C)cc2)CC1)N(C)C ZINC001202531913 1305607990 /nfs/dbraw/zinc/60/79/90/1305607990.db2.gz QKZJPINNVWZJMJ-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001018838410 1314064695 /nfs/dbraw/zinc/06/46/95/1314064695.db2.gz ZRQSVNTZMIEOGJ-HKUYNNGSSA-N 1 3 347.478 2.697 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001018838410 1314064697 /nfs/dbraw/zinc/06/46/97/1314064697.db2.gz ZRQSVNTZMIEOGJ-HKUYNNGSSA-N 1 3 347.478 2.697 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(C)ccc3F)C2)CC[N@@H+]1C ZINC001018872766 1314073887 /nfs/dbraw/zinc/07/38/87/1314073887.db2.gz HXFOAWWQLNYEEC-JENIJYKNSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCc3cc(C)ccc3F)C2)CC[N@H+]1C ZINC001018872766 1314073890 /nfs/dbraw/zinc/07/38/90/1314073890.db2.gz HXFOAWWQLNYEEC-JENIJYKNSA-N 1 3 347.478 2.555 20 0 EFADHO CC(C)[NH+]1CCC(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000870954810 1305707979 /nfs/dbraw/zinc/70/79/79/1305707979.db2.gz KHTJNUKMMHWNFC-IBGZPJMESA-N 1 3 341.515 2.826 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246026010 1314568703 /nfs/dbraw/zinc/56/87/03/1314568703.db2.gz YSPNAJMDZDUAAA-KSZLIROESA-N 1 3 332.504 2.733 20 0 EFADHO CCCC[C@H](CC)COC[C@H](O)C[N@H+]1CCCC[C@](F)(CN)C1 ZINC001246026010 1314568705 /nfs/dbraw/zinc/56/87/05/1314568705.db2.gz YSPNAJMDZDUAAA-KSZLIROESA-N 1 3 332.504 2.733 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC000871188218 1305878886 /nfs/dbraw/zinc/87/88/86/1305878886.db2.gz MFMWOEFEBHLGAC-FQEVSTJZSA-N 1 3 343.515 2.952 20 0 EFADHO CC1CC(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001017141573 1305939631 /nfs/dbraw/zinc/93/96/31/1305939631.db2.gz GRADDZSXCGMLIM-ADKAHSJRSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001017141573 1305939642 /nfs/dbraw/zinc/93/96/42/1305939642.db2.gz GRADDZSXCGMLIM-ADKAHSJRSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141471 1305950351 /nfs/dbraw/zinc/95/03/51/1305950351.db2.gz FKWVQVHXIGDUDA-QFBILLFUSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC(C)(C)C2)C1)C1CC1 ZINC001017141471 1305950357 /nfs/dbraw/zinc/95/03/57/1305950357.db2.gz FKWVQVHXIGDUDA-QFBILLFUSA-N 1 3 349.563 2.933 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143063 1305986791 /nfs/dbraw/zinc/98/67/91/1305986791.db2.gz ROQNRIRUFQRQEZ-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1)C1CC1 ZINC001017143063 1305986804 /nfs/dbraw/zinc/98/68/04/1305986804.db2.gz ROQNRIRUFQRQEZ-MJGOQNOKSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@@H+]1CCOC[C@]2(CCCN(CCCc3cccnc3)C2)C1 ZINC001209174771 1314106963 /nfs/dbraw/zinc/10/69/63/1314106963.db2.gz VBEFJDFQBAVOTE-FQEVSTJZSA-N 1 3 331.504 2.837 20 0 EFADHO CC(C)[N@H+]1CCOC[C@]2(CCCN(CCCc3cccnc3)C2)C1 ZINC001209174771 1314106967 /nfs/dbraw/zinc/10/69/67/1314106967.db2.gz VBEFJDFQBAVOTE-FQEVSTJZSA-N 1 3 331.504 2.837 20 0 EFADHO Cc1ncccc1CN1CCC2(CCC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276622409 1314107234 /nfs/dbraw/zinc/10/72/34/1314107234.db2.gz AAYGYWMXMPIXOC-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ncccc1CN1CCC2(CCC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001276622409 1314107235 /nfs/dbraw/zinc/10/72/35/1314107235.db2.gz AAYGYWMXMPIXOC-UHFFFAOYSA-N 1 3 339.487 2.991 20 0 EFADHO Cc1ncccc1CN1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001276622476 1314108486 /nfs/dbraw/zinc/10/84/86/1314108486.db2.gz CPYQSSRNLXUYOS-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO Cc1ncccc1CN1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001276622476 1314108488 /nfs/dbraw/zinc/10/84/88/1314108488.db2.gz CPYQSSRNLXUYOS-UHFFFAOYSA-N 1 3 339.487 2.575 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1)C1CC1 ZINC001018966765 1314113709 /nfs/dbraw/zinc/11/37/09/1314113709.db2.gz RPBBMHQXSCYFGC-ROUUACIJSA-N 1 3 335.536 2.734 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)c(C)c1 ZINC001018966606 1314113743 /nfs/dbraw/zinc/11/37/43/1314113743.db2.gz NNABEWVWRLCOHU-ICSRJNTNSA-N 1 3 343.515 2.643 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018966389 1314114030 /nfs/dbraw/zinc/11/40/30/1314114030.db2.gz HGQJAVAILPNDJQ-ROUUACIJSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1cccc(Cl)c1CN[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018966482 1314114186 /nfs/dbraw/zinc/11/41/86/1314114186.db2.gz JUFFCWRQXFZODT-YJBOKZPZSA-N 1 3 349.906 2.679 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971556 1314117155 /nfs/dbraw/zinc/11/71/55/1314117155.db2.gz GTCQYTQQDQGHPS-SJORKVTESA-N 1 3 329.488 2.731 20 0 EFADHO C[C@H]1CCN(CCCF)C[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000968417258 1306288471 /nfs/dbraw/zinc/28/84/71/1306288471.db2.gz DXYMDVLOIJAMBK-YJBOKZPZSA-N 1 3 335.467 2.548 20 0 EFADHO C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3cccs3)C2)C1 ZINC001209221438 1314118835 /nfs/dbraw/zinc/11/88/35/1314118835.db2.gz DCHXNKQXAIUWSK-IEBWSBKVSA-N 1 3 334.529 2.971 20 0 EFADHO C[N@H+]1C[C@H](COCC2CC2)[C@]2(CCN(CCc3cccs3)C2)C1 ZINC001209221438 1314118836 /nfs/dbraw/zinc/11/88/36/1314118836.db2.gz DCHXNKQXAIUWSK-IEBWSBKVSA-N 1 3 334.529 2.971 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017152028 1306335703 /nfs/dbraw/zinc/33/57/03/1306335703.db2.gz KHRONMNOAYKNDM-VQIMIIECSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccccc2F)C1)N(C)C ZINC001017152028 1306335710 /nfs/dbraw/zinc/33/57/10/1306335710.db2.gz KHRONMNOAYKNDM-VQIMIIECSA-N 1 3 349.494 2.836 20 0 EFADHO CC(C)=CCN1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517910 1306423774 /nfs/dbraw/zinc/42/37/74/1306423774.db2.gz VEKBULJBMCPVHI-FXAWDEMLSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1)N(C)C ZINC001018999218 1314126575 /nfs/dbraw/zinc/12/65/75/1314126575.db2.gz KIYWRQYXIQNWGC-JLSDUUJJSA-N 1 3 335.467 2.663 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001018999562 1314126597 /nfs/dbraw/zinc/12/65/97/1314126597.db2.gz XOGQLVFJDLJBOE-NEWSRXKRSA-N 1 3 331.504 2.833 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCC(C)(C)C ZINC001215568056 1314852056 /nfs/dbraw/zinc/85/20/56/1314852056.db2.gz KMWUKERLVNUWQV-HZPDHXFCSA-N 1 3 325.541 2.837 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)s1 ZINC001018999259 1314126886 /nfs/dbraw/zinc/12/68/86/1314126886.db2.gz LTDZAPRGTFNMPG-IRXDYDNUSA-N 1 3 337.533 2.642 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001019000536 1314127122 /nfs/dbraw/zinc/12/71/22/1314127122.db2.gz AMWVQZUSBGQUKD-LNLFQRSKSA-N 1 3 331.504 2.833 20 0 EFADHO c1ccc(CN2CC=C(c3cnc(O[C@@H]4CC[NH2+]C4)nc3)CC2)cc1 ZINC001241504745 1314127515 /nfs/dbraw/zinc/12/75/15/1314127515.db2.gz ZDEUUWJKACOGHA-LJQANCHMSA-N 1 3 336.439 2.507 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001019000521 1314127566 /nfs/dbraw/zinc/12/75/66/1314127566.db2.gz AALPIXLPIXKRHF-OALUTQOASA-N 1 3 331.504 2.526 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921600 1306483042 /nfs/dbraw/zinc/48/30/42/1306483042.db2.gz PWLBIPZUAATQOX-ZSYWTGECSA-N 1 3 335.536 2.732 20 0 EFADHO CC(C)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCN1C(C)C ZINC001114921600 1306483045 /nfs/dbraw/zinc/48/30/45/1306483045.db2.gz PWLBIPZUAATQOX-ZSYWTGECSA-N 1 3 335.536 2.732 20 0 EFADHO CCCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673533 1306556521 /nfs/dbraw/zinc/55/65/21/1306556521.db2.gz KNEMHGXKDDBARP-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CCCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC000968673533 1306556524 /nfs/dbraw/zinc/55/65/24/1306556524.db2.gz KNEMHGXKDDBARP-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683069 1306565128 /nfs/dbraw/zinc/56/51/28/1306565128.db2.gz XXBLWLIJTPSJIC-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1NC(=O)c1ccccc1CN(C)C ZINC000968683069 1306565129 /nfs/dbraw/zinc/56/51/29/1306565129.db2.gz XXBLWLIJTPSJIC-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](N[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)c1ccccc1F ZINC001209304192 1314135832 /nfs/dbraw/zinc/13/58/32/1314135832.db2.gz OKWKVKCBQTVCBV-HOTGVXAUSA-N 1 3 347.478 2.809 20 0 EFADHO CCN([C@H]1CCOC1)C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC001209322090 1314139280 /nfs/dbraw/zinc/13/92/80/1314139280.db2.gz RHQBSOYAGXCMFT-NRFANRHFSA-N 1 3 328.500 2.977 20 0 EFADHO CC[N@H+]([C@H]1CCOC1)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC001209322090 1314139281 /nfs/dbraw/zinc/13/92/81/1314139281.db2.gz RHQBSOYAGXCMFT-NRFANRHFSA-N 1 3 328.500 2.977 20 0 EFADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(CC2Cc3ccccc3C2)CC1 ZINC001209322090 1314139283 /nfs/dbraw/zinc/13/92/83/1314139283.db2.gz RHQBSOYAGXCMFT-NRFANRHFSA-N 1 3 328.500 2.977 20 0 EFADHO COC1CC[NH+](C2CCN(CC3Cc4ccccc4C3)CC2)CC1 ZINC001209323856 1314139697 /nfs/dbraw/zinc/13/96/97/1314139697.db2.gz VIJCEYWIDCDRRI-UHFFFAOYSA-N 1 3 328.500 2.977 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN(C)C1CCC1 ZINC001044627778 1306671294 /nfs/dbraw/zinc/67/12/94/1306671294.db2.gz CGHBQSRUOQQOLN-CRAIPNDOSA-N 1 3 347.478 2.779 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001044629681 1306673893 /nfs/dbraw/zinc/67/38/93/1306673893.db2.gz ONTBQOXSYLDSQJ-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CCN1C(=O)CN(C)C1CCC1 ZINC001044630485 1306674441 /nfs/dbraw/zinc/67/44/41/1306674441.db2.gz WTNNZRYWQOFDPN-IEBWSBKVSA-N 1 3 343.515 2.683 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001019032062 1314142889 /nfs/dbraw/zinc/14/28/89/1314142889.db2.gz CRQYPQROZQCABI-RYGJVYDSSA-N 1 3 343.515 2.767 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000968851167 1306722486 /nfs/dbraw/zinc/72/24/86/1306722486.db2.gz NFEKDWIIKLFNNI-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000968851167 1306722490 /nfs/dbraw/zinc/72/24/90/1306722490.db2.gz NFEKDWIIKLFNNI-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC001044744336 1306767292 /nfs/dbraw/zinc/76/72/92/1306767292.db2.gz OGYQNKMRNVGETP-IEBWSBKVSA-N 1 3 343.515 2.888 20 0 EFADHO C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044749983 1306771613 /nfs/dbraw/zinc/77/16/13/1306771613.db2.gz MDLXWDBQLBRIKA-DOTOQJQBSA-N 1 3 332.492 2.892 20 0 EFADHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)CCN1C(=O)Cc1c[nH]cn1 ZINC001044750107 1306771816 /nfs/dbraw/zinc/77/18/16/1306771816.db2.gz MSSGIUTZPULUKX-BBRMVZONSA-N 1 3 346.862 2.775 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H](C)C1 ZINC001044749980 1306772094 /nfs/dbraw/zinc/77/20/94/1306772094.db2.gz MDHGJZYDJOTXFX-YOEHRIQHSA-N 1 3 344.434 2.569 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H](C)C2)c1 ZINC001044752392 1306773175 /nfs/dbraw/zinc/77/31/75/1306773175.db2.gz XTJMKDKVKMWDDX-FUHWJXTLSA-N 1 3 340.471 2.738 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H](C)C2)cc1F ZINC001044753618 1306774437 /nfs/dbraw/zinc/77/44/37/1306774437.db2.gz DMFULFKZZJOZCR-GDBMZVCRSA-N 1 3 344.434 2.569 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC000968907444 1306781359 /nfs/dbraw/zinc/78/13/59/1306781359.db2.gz NKYOKQMDRDSPDE-QGZVFWFLSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968912448 1306786134 /nfs/dbraw/zinc/78/61/34/1306786134.db2.gz HGQJAVAILPNDJQ-QZTJIDSGSA-N 1 3 349.906 2.679 20 0 EFADHO CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1 ZINC000968912174 1306786307 /nfs/dbraw/zinc/78/63/07/1306786307.db2.gz BICKSAWNCUSCTJ-UXHICEINSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(CN[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c(Cl)c1 ZINC000968912639 1306786475 /nfs/dbraw/zinc/78/64/75/1306786475.db2.gz NIQNKGDGVCVUNM-AEFFLSMTSA-N 1 3 349.906 2.679 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC000968920638 1306797636 /nfs/dbraw/zinc/79/76/36/1306797636.db2.gz XLKMUFZVGBWADC-XKQHDHNFSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000968920638 1306797639 /nfs/dbraw/zinc/79/76/39/1306797639.db2.gz XLKMUFZVGBWADC-XKQHDHNFSA-N 1 3 327.900 2.584 20 0 EFADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC000968921669 1306799038 /nfs/dbraw/zinc/79/90/38/1306799038.db2.gz FFIWDIUVKYTFHP-RHSMWYFYSA-N 1 3 333.451 2.562 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]Cc3ccccc3)C[C@@H]2C)CC1 ZINC001044791146 1306803472 /nfs/dbraw/zinc/80/34/72/1306803472.db2.gz FRUOZWBBRZVQBR-ICSRJNTNSA-N 1 3 343.515 2.888 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC1 ZINC000968928999 1306807243 /nfs/dbraw/zinc/80/72/43/1306807243.db2.gz ZIRRXJYIEPPDFS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC000968928999 1306807248 /nfs/dbraw/zinc/80/72/48/1306807248.db2.gz ZIRRXJYIEPPDFS-RTBURBONSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC000968928383 1306807373 /nfs/dbraw/zinc/80/73/73/1306807373.db2.gz JRBVANWDQFXDHS-ZWKOTPCHSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC000968928383 1306807376 /nfs/dbraw/zinc/80/73/76/1306807376.db2.gz JRBVANWDQFXDHS-ZWKOTPCHSA-N 1 3 341.515 2.827 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1)N(C)C ZINC000968990183 1306866651 /nfs/dbraw/zinc/86/66/51/1306866651.db2.gz WRUPRUIQJCUZIL-CCKFTAQKSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H](C)C2)c(C)c1 ZINC001044857017 1306867635 /nfs/dbraw/zinc/86/76/35/1306867635.db2.gz DCKQRAKUQJTNAR-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H](C)C2)cs1 ZINC001044857656 1306868161 /nfs/dbraw/zinc/86/81/61/1306868161.db2.gz MIYFOALGAQLLRF-YOEHRIQHSA-N 1 3 335.517 2.621 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC001044857533 1306868398 /nfs/dbraw/zinc/86/83/98/1306868398.db2.gz KSUQTWAGBIUWLJ-CRAIPNDOSA-N 1 3 349.906 2.905 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H](C)C1 ZINC001044859056 1306869619 /nfs/dbraw/zinc/86/96/19/1306869619.db2.gz ZIOXIEGFLYSRDN-RTBURBONSA-N 1 3 343.515 2.868 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC000968994659 1306872026 /nfs/dbraw/zinc/87/20/26/1306872026.db2.gz XLKMUFZVGBWADC-ZHANPKHBSA-N 1 3 327.900 2.584 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/Cl ZINC000968994659 1306872028 /nfs/dbraw/zinc/87/20/28/1306872028.db2.gz XLKMUFZVGBWADC-ZHANPKHBSA-N 1 3 327.900 2.584 20 0 EFADHO CC(C)C[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001044868305 1306879435 /nfs/dbraw/zinc/87/94/35/1306879435.db2.gz SLVARDMJUGJLCI-APWZRJJASA-N 1 3 331.504 2.987 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC000969077396 1306950842 /nfs/dbraw/zinc/95/08/42/1306950842.db2.gz QDIGSVKPEJICGD-BHIYHBOVSA-N 1 3 329.488 2.595 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC001044958897 1306956740 /nfs/dbraw/zinc/95/67/40/1306956740.db2.gz WMKNFJWXGVCGSS-JSGCOSHPSA-N 1 3 341.908 2.576 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCN1C ZINC001044959773 1306956765 /nfs/dbraw/zinc/95/67/65/1306956765.db2.gz MBYFATZCXFNAMI-MAUKXSAKSA-N 1 3 349.906 2.823 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H]2C[NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001045065698 1307029083 /nfs/dbraw/zinc/02/90/83/1307029083.db2.gz DCCHHMPVTPQRCJ-KRWDZBQOSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1 ZINC001045067437 1307030175 /nfs/dbraw/zinc/03/01/75/1307030175.db2.gz SDZRSXTYUJXKFA-SFHVURJKSA-N 1 3 329.488 2.560 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c1 ZINC001045067344 1307030217 /nfs/dbraw/zinc/03/02/17/1307030217.db2.gz KYGXAHTUTKKORT-VQTJNVASSA-N 1 3 343.515 2.670 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C2CC2)N(C)C)c(C)c1 ZINC001045067951 1307031949 /nfs/dbraw/zinc/03/19/49/1307031949.db2.gz WQRPWIWZNGGLLY-VQTJNVASSA-N 1 3 343.515 2.724 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccccc1 ZINC001045070506 1307032318 /nfs/dbraw/zinc/03/23/18/1307032318.db2.gz ILPOFQRNTRFCLY-APWZRJJASA-N 1 3 329.488 2.813 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C2(N(C)C)CCC2)cc1F ZINC001045068793 1307032907 /nfs/dbraw/zinc/03/29/07/1307032907.db2.gz RDBQRQPQFQUYDS-KRWDZBQOSA-N 1 3 347.478 2.699 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001045070568 1307033431 /nfs/dbraw/zinc/03/34/31/1307033431.db2.gz LFYZWPPNYQLCIP-BEFAXECRSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C2CCC2)cc1F ZINC001045070850 1307034103 /nfs/dbraw/zinc/03/41/03/1307034103.db2.gz ZJTWDPMBEWUYRY-SFHVURJKSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C ZINC001045079041 1307036599 /nfs/dbraw/zinc/03/65/99/1307036599.db2.gz USYUIFXTHPUKQK-OALUTQOASA-N 1 3 349.494 2.801 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C)cc1F ZINC001045079718 1307037815 /nfs/dbraw/zinc/03/78/15/1307037815.db2.gz PFLCGCWIZXGNGQ-HKUYNNGSSA-N 1 3 349.494 2.801 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001045089368 1307045806 /nfs/dbraw/zinc/04/58/06/1307045806.db2.gz HCOHHKDAKFZUCV-DOTOQJQBSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccccc1Cl ZINC001209444164 1314163814 /nfs/dbraw/zinc/16/38/14/1314163814.db2.gz DRDXVYPBQLEOFV-HUUCEWRRSA-N 1 3 337.895 2.933 20 0 EFADHO CN1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC001254506000 1315711241 /nfs/dbraw/zinc/71/12/41/1315711241.db2.gz NFYPASDNBDHYOY-CABCVRRESA-N 1 3 327.266 2.556 20 0 EFADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1F ZINC001209447110 1314164244 /nfs/dbraw/zinc/16/42/44/1314164244.db2.gz XHJSWPZRDNEYIS-UKRRQHHQSA-N 1 3 339.430 2.558 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C)c1 ZINC001045187053 1307122783 /nfs/dbraw/zinc/12/27/83/1307122783.db2.gz BKGCZNCOJIXOFU-VQTJNVASSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CC[C@@H](C)C2)c1 ZINC001045199628 1307134071 /nfs/dbraw/zinc/13/40/71/1307134071.db2.gz GDTIJVNCNZHXJJ-XLIONFOSSA-N 1 3 343.515 2.726 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]2C[NH2+]CC2CCCCCC2)C1 ZINC001045200413 1307134918 /nfs/dbraw/zinc/13/49/18/1307134918.db2.gz XONKJRKOGFSKGL-HKUYNNGSSA-N 1 3 335.536 2.879 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001045200397 1307135053 /nfs/dbraw/zinc/13/50/53/1307135053.db2.gz WTLCMXMDXZTTNR-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCC[C@@H]2C)cc1C ZINC001045200650 1307135954 /nfs/dbraw/zinc/13/59/54/1307135954.db2.gz KKCUBILIYLMYCK-ICSRJNTNSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCC[C@@H]1C ZINC001045201233 1307136309 /nfs/dbraw/zinc/13/63/09/1307136309.db2.gz YSEOZCCNYBFGSP-HKUYNNGSSA-N 1 3 329.488 2.560 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC001045205044 1307137196 /nfs/dbraw/zinc/13/71/96/1307137196.db2.gz BTHHVCVUMNVYOW-IRXDYDNUSA-N 1 3 337.895 2.761 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H](CC)N(C)C)c1 ZINC001045205571 1307138042 /nfs/dbraw/zinc/13/80/42/1307138042.db2.gz QDNIBWPWBPIDIL-OALUTQOASA-N 1 3 331.504 2.670 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001045218900 1307148873 /nfs/dbraw/zinc/14/88/73/1307148873.db2.gz CBEAMIARPZLLQC-KRWDZBQOSA-N 1 3 330.476 2.503 20 0 EFADHO C[NH+]1CCC(CC(=O)N2CCC[C@H]2CNCc2ccccc2F)CC1 ZINC001045227942 1307159078 /nfs/dbraw/zinc/15/90/78/1307159078.db2.gz NGJZWCFLXVWGJQ-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccsc2)CC1 ZINC001045251441 1307175513 /nfs/dbraw/zinc/17/55/13/1307175513.db2.gz SROOZFIWWNOMEY-KRWDZBQOSA-N 1 3 335.517 2.561 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001209485890 1314171708 /nfs/dbraw/zinc/17/17/08/1314171708.db2.gz TTWQBBCIIMNKTF-JDBYYAOJSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001209485888 1314171772 /nfs/dbraw/zinc/17/17/72/1314171772.db2.gz TTWQBBCIIMNKTF-AJAZOWGGSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1)N(C)C ZINC001209485889 1314171803 /nfs/dbraw/zinc/17/18/03/1314171803.db2.gz TTWQBBCIIMNKTF-IJQANDGASA-N 1 3 343.515 2.867 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)CC1 ZINC001045311180 1307229859 /nfs/dbraw/zinc/22/98/59/1307229859.db2.gz FFMHUKDDRQWISG-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO O=C(CN1CCCC1)N1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC001045310431 1307230515 /nfs/dbraw/zinc/23/05/15/1307230515.db2.gz MOJQIGUYRJPXHG-KRWDZBQOSA-N 1 3 335.879 2.516 20 0 EFADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646886 1314173973 /nfs/dbraw/zinc/17/39/73/1314173973.db2.gz ONHMQPXQKWUTNE-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]2CC1 ZINC001276646886 1314173975 /nfs/dbraw/zinc/17/39/75/1314173975.db2.gz ONHMQPXQKWUTNE-KDURUIRLSA-N 1 3 335.536 2.689 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001045321034 1307239495 /nfs/dbraw/zinc/23/94/95/1307239495.db2.gz CQKCICQFAFRVMK-RBUKOAKNSA-N 1 3 347.478 2.781 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc4cc[nH]c4c3)CC2)CC1 ZINC001209516133 1314178556 /nfs/dbraw/zinc/17/85/56/1314178556.db2.gz VMULZGKRHCIOLX-UHFFFAOYSA-N 1 3 326.488 2.627 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333187 1307373597 /nfs/dbraw/zinc/37/35/97/1307373597.db2.gz NLLNMOPJXWWQQB-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001007333187 1307373600 /nfs/dbraw/zinc/37/36/00/1307373600.db2.gz NLLNMOPJXWWQQB-HOTGVXAUSA-N 1 3 327.488 2.580 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001007368260 1307391817 /nfs/dbraw/zinc/39/18/17/1307391817.db2.gz NZVGEGWIGFWMLI-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001007368260 1307391825 /nfs/dbraw/zinc/39/18/25/1307391825.db2.gz NZVGEGWIGFWMLI-MISYRCLQSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001007369540 1307392425 /nfs/dbraw/zinc/39/24/25/1307392425.db2.gz RUNCXVILVSCDJN-GBESFXJTSA-N 1 3 333.520 2.798 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(CC3=CCCCC3)C2)CC[N@H+]1C ZINC001007369540 1307392427 /nfs/dbraw/zinc/39/24/27/1307392427.db2.gz RUNCXVILVSCDJN-GBESFXJTSA-N 1 3 333.520 2.798 20 0 EFADHO C[NH+](C)CCOc1ccc(-c2cc(N3CCOCC3)ccn2)cc1 ZINC001242148608 1314185007 /nfs/dbraw/zinc/18/50/07/1314185007.db2.gz IFKNADAHLPCMHI-UHFFFAOYSA-N 1 3 327.428 2.526 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001007376946 1307397905 /nfs/dbraw/zinc/39/79/05/1307397905.db2.gz OVQDJGCHDRITKM-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)c1 ZINC001007376946 1307397908 /nfs/dbraw/zinc/39/79/08/1307397908.db2.gz OVQDJGCHDRITKM-YZGWKJHDSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007440240 1307436515 /nfs/dbraw/zinc/43/65/15/1307436515.db2.gz HSHCHNAVJILODK-INIZCTEOSA-N 1 3 335.517 2.970 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CN(C)C)C1 ZINC001007440240 1307436519 /nfs/dbraw/zinc/43/65/19/1307436519.db2.gz HSHCHNAVJILODK-INIZCTEOSA-N 1 3 335.517 2.970 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458139 1307447747 /nfs/dbraw/zinc/44/77/47/1307447747.db2.gz VDONWFFXKYJQJQ-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC2=CCCCC2)C1 ZINC001007458139 1307447751 /nfs/dbraw/zinc/44/77/51/1307447751.db2.gz VDONWFFXKYJQJQ-RBUKOAKNSA-N 1 3 333.520 2.942 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038620737 1307484463 /nfs/dbraw/zinc/48/44/63/1307484463.db2.gz CQPHHKPEQDKWLB-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCN2CCC2CCCC2)C1 ZINC001038620737 1307484467 /nfs/dbraw/zinc/48/44/67/1307484467.db2.gz CQPHHKPEQDKWLB-OALUTQOASA-N 1 3 335.536 2.879 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC2(C)CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001045638899 1307491664 /nfs/dbraw/zinc/49/16/64/1307491664.db2.gz QNFKXLUHSZSSRZ-MBNRZODZSA-N 1 3 341.499 2.622 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC2(C)CCN(C/C=C/c3ccccc3)CC2)C1 ZINC001045638899 1307491666 /nfs/dbraw/zinc/49/16/66/1307491666.db2.gz QNFKXLUHSZSSRZ-MBNRZODZSA-N 1 3 341.499 2.622 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2CC(C)(C)CN(C)C ZINC001276654583 1314193805 /nfs/dbraw/zinc/19/38/05/1314193805.db2.gz RGMHEPQOGBNXQO-QYZOEREBSA-N 1 3 345.531 2.772 20 0 EFADHO CC1=CCC=C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC(C)(C)CN(C)C ZINC001276654583 1314193809 /nfs/dbraw/zinc/19/38/09/1314193809.db2.gz RGMHEPQOGBNXQO-QYZOEREBSA-N 1 3 345.531 2.772 20 0 EFADHO Nc1ccc(C[NH+]2CCC3(CN(CCCC(F)(F)F)C3)CC2)cn1 ZINC001276654013 1314192998 /nfs/dbraw/zinc/19/29/98/1314192998.db2.gz AMCGHVLARNBYSY-UHFFFAOYSA-N 1 3 342.409 2.904 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001007748973 1307580062 /nfs/dbraw/zinc/58/00/62/1307580062.db2.gz TUMBJPHSNRWAAX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001007748973 1307580067 /nfs/dbraw/zinc/58/00/67/1307580067.db2.gz TUMBJPHSNRWAAX-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CN(C)Cc1ccc(-c2noc([C@]34CC[NH2+][C@H]3CCCC4)n2)cc1 ZINC000900004587 1307592118 /nfs/dbraw/zinc/59/21/18/1307592118.db2.gz MHWXXUPECOIBAC-QFBILLFUSA-N 1 3 326.444 2.972 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCc3ccccc3)C2)C1 ZINC001209640736 1314206988 /nfs/dbraw/zinc/20/69/88/1314206988.db2.gz DBRWKRRYDWBGRA-UYAOXDASSA-N 1 3 343.515 2.542 20 0 EFADHO Fc1ccc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1CN1CCCC1 ZINC001242398846 1314205055 /nfs/dbraw/zinc/20/50/55/1314205055.db2.gz VUBJDIILWONMIQ-UHFFFAOYSA-N 1 3 340.446 2.893 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@@H+]1C ZINC001097718254 1314207265 /nfs/dbraw/zinc/20/72/65/1314207265.db2.gz BCJFUYLMGXSQNP-FLNBYBTLSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccccc2)CC[N@H+]1C ZINC001097718254 1314207269 /nfs/dbraw/zinc/20/72/69/1314207269.db2.gz BCJFUYLMGXSQNP-FLNBYBTLSA-N 1 3 341.499 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCCc3ccsc3)C2)C1 ZINC001209643400 1314207422 /nfs/dbraw/zinc/20/74/22/1314207422.db2.gz SYBRNFWXEKXUKD-FUHWJXTLSA-N 1 3 349.544 2.603 20 0 EFADHO CCN1CCN(c2ccc(NC(=O)C[NH2+][C@@H]3CCC[C@@H]3C)cc2)CC1 ZINC000800392408 1307786918 /nfs/dbraw/zinc/78/69/18/1307786918.db2.gz VXNQROUELCBQLK-QFBILLFUSA-N 1 3 344.503 2.545 20 0 EFADHO CC(C)=CCN1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008061237 1307792384 /nfs/dbraw/zinc/79/23/84/1307792384.db2.gz IADFTDBKLMLBCT-IBGZPJMESA-N 1 3 343.515 2.951 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001045896485 1307834633 /nfs/dbraw/zinc/83/46/33/1307834633.db2.gz QLQALBNYGWLWIX-MOPGFXCFSA-N 1 3 341.499 2.837 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045896485 1307834639 /nfs/dbraw/zinc/83/46/39/1307834639.db2.gz QLQALBNYGWLWIX-MOPGFXCFSA-N 1 3 341.499 2.837 20 0 EFADHO CC(C)(C(=O)N[C@H]1CCCN(CCc2cccs2)C1)[NH+]1CCCC1 ZINC001008161569 1307871527 /nfs/dbraw/zinc/87/15/27/1307871527.db2.gz HXZWBRIWFWULTM-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1)CC(C)(C)C ZINC001209689340 1314216977 /nfs/dbraw/zinc/21/69/77/1314216977.db2.gz KNHKOZZGZZQNOH-MRXNPFEDSA-N 1 3 329.504 2.685 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001209688943 1314217327 /nfs/dbraw/zinc/21/73/27/1314217327.db2.gz HMMHADPQLIJWBV-IBGZPJMESA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1)CC(C)(C)C ZINC001209691806 1314217612 /nfs/dbraw/zinc/21/76/12/1314217612.db2.gz YTNWEWHYDUVGLM-INIZCTEOSA-N 1 3 337.533 2.807 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045937743 1307938370 /nfs/dbraw/zinc/93/83/70/1307938370.db2.gz JKHREJDJMNXKTI-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045937743 1307938373 /nfs/dbraw/zinc/93/83/73/1307938373.db2.gz JKHREJDJMNXKTI-UYAOXDASSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001045937742 1307938410 /nfs/dbraw/zinc/93/84/10/1307938410.db2.gz JKHREJDJMNXKTI-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045937742 1307938415 /nfs/dbraw/zinc/93/84/15/1307938415.db2.gz JKHREJDJMNXKTI-QUCCMNQESA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045938069 1307939031 /nfs/dbraw/zinc/93/90/31/1307939031.db2.gz RGQVPUXAFBPPKU-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045938069 1307939034 /nfs/dbraw/zinc/93/90/34/1307939034.db2.gz RGQVPUXAFBPPKU-CTNGQTDRSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001045940696 1307947547 /nfs/dbraw/zinc/94/75/47/1307947547.db2.gz CKLRUHACUXEDBF-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001045940696 1307947551 /nfs/dbraw/zinc/94/75/51/1307947551.db2.gz CKLRUHACUXEDBF-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279005 1307956428 /nfs/dbraw/zinc/95/64/28/1307956428.db2.gz QJHRYTCSSDFUGL-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001008279005 1307956432 /nfs/dbraw/zinc/95/64/32/1307956432.db2.gz QJHRYTCSSDFUGL-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943451 1307957232 /nfs/dbraw/zinc/95/72/32/1307957232.db2.gz IQMSFBNDFFMRNY-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001045943451 1307957236 /nfs/dbraw/zinc/95/72/36/1307957236.db2.gz IQMSFBNDFFMRNY-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001045943947 1307958686 /nfs/dbraw/zinc/95/86/86/1307958686.db2.gz RYMHPTLOTYXSTL-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(CC(=O)N1CCCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CCC1 ZINC001045943947 1307958689 /nfs/dbraw/zinc/95/86/89/1307958689.db2.gz RYMHPTLOTYXSTL-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)CCC1 ZINC001045943819 1307959567 /nfs/dbraw/zinc/95/95/67/1307959567.db2.gz PKWSPHZHFCTRJH-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)CCC1 ZINC001045943819 1307959572 /nfs/dbraw/zinc/95/95/72/1307959572.db2.gz PKWSPHZHFCTRJH-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944146 1307960564 /nfs/dbraw/zinc/96/05/64/1307960564.db2.gz YOFXUYCPDOAPBS-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1)C1CC1 ZINC001045944146 1307960568 /nfs/dbraw/zinc/96/05/68/1307960568.db2.gz YOFXUYCPDOAPBS-CTNGQTDRSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945743 1307965667 /nfs/dbraw/zinc/96/56/67/1307965667.db2.gz YOTPPNMISRHTNR-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001045945743 1307965669 /nfs/dbraw/zinc/96/56/69/1307965669.db2.gz YOTPPNMISRHTNR-ICSRJNTNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001045958095 1307998638 /nfs/dbraw/zinc/99/86/38/1307998638.db2.gz KNCRSBHBXOBDDE-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)(C(=O)N1CCCC[C@]2(CC[N@@H+](CC3CC3)C2)C1)N1CCCC1 ZINC001045958095 1307998641 /nfs/dbraw/zinc/99/86/41/1307998641.db2.gz KNCRSBHBXOBDDE-OAQYLSRUSA-N 1 3 347.547 2.975 20 0 EFADHO CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958697 1308000532 /nfs/dbraw/zinc/00/05/32/1308000532.db2.gz WEGXEQIENBJJAS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)N1CCCC1)C2 ZINC001045958697 1308000534 /nfs/dbraw/zinc/00/05/34/1308000534.db2.gz WEGXEQIENBJJAS-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965049 1308018981 /nfs/dbraw/zinc/01/89/81/1308018981.db2.gz BSFAVYXGQGEZRF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001045965049 1308018988 /nfs/dbraw/zinc/01/89/88/1308018988.db2.gz BSFAVYXGQGEZRF-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001045966736 1308023819 /nfs/dbraw/zinc/02/38/19/1308023819.db2.gz DZTJJBRXJJGDKH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCCC[C@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001045966736 1308023822 /nfs/dbraw/zinc/02/38/22/1308023822.db2.gz DZTJJBRXJJGDKH-WIYYLYMNSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@H+](CCC4CC4)C3)C2)C1 ZINC001045966735 1308024267 /nfs/dbraw/zinc/02/42/67/1308024267.db2.gz DZTJJBRXJJGDKH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCCC[C@@]3(CC[N@@H+](CCC4CC4)C3)C2)C1 ZINC001045966735 1308024271 /nfs/dbraw/zinc/02/42/71/1308024271.db2.gz DZTJJBRXJJGDKH-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967527 1308026240 /nfs/dbraw/zinc/02/62/40/1308026240.db2.gz WVASMHBEWACKOE-ICSRJNTNSA-N 1 3 335.536 2.833 20 0 EFADHO CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001045967527 1308026245 /nfs/dbraw/zinc/02/62/45/1308026245.db2.gz WVASMHBEWACKOE-ICSRJNTNSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968874 1308029710 /nfs/dbraw/zinc/02/97/10/1308029710.db2.gz IUJZVVNTLCSUDX-APWZRJJASA-N 1 3 332.492 2.703 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH]cn1)C2 ZINC001045968874 1308029720 /nfs/dbraw/zinc/02/97/20/1308029720.db2.gz IUJZVVNTLCSUDX-APWZRJJASA-N 1 3 332.492 2.703 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001008406514 1308049600 /nfs/dbraw/zinc/04/96/00/1308049600.db2.gz OXACBVQUPUMFHU-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@H+](CCC3CC3)C2)C1 ZINC001008508575 1308124831 /nfs/dbraw/zinc/12/48/31/1308124831.db2.gz IMNXJDBXOMLKNW-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)C1 ZINC001008508575 1308124832 /nfs/dbraw/zinc/12/48/32/1308124832.db2.gz IMNXJDBXOMLKNW-VQIMIIECSA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](F)CCN1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001008544061 1308145888 /nfs/dbraw/zinc/14/58/88/1308145888.db2.gz XZHVYNAZFHYKDM-APWZRJJASA-N 1 3 349.494 2.733 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1F ZINC001019232033 1314231209 /nfs/dbraw/zinc/23/12/09/1314231209.db2.gz FWYVTMUELLBRFJ-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CC[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC001019241531 1314234853 /nfs/dbraw/zinc/23/48/53/1314234853.db2.gz FWESAZQEDIGZNA-RCCFBDPRSA-N 1 3 333.451 2.562 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1ccc(F)cc1 ZINC001019241530 1314235174 /nfs/dbraw/zinc/23/51/74/1314235174.db2.gz FWESAZQEDIGZNA-OKZBNKHCSA-N 1 3 333.451 2.562 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622177 1308301000 /nfs/dbraw/zinc/30/10/00/1308301000.db2.gz IFTZSLOWBZMHDZ-MOPGFXCFSA-N 1 3 347.547 2.879 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCN2CC2CC3(CCC3)C2)C1 ZINC001038622177 1308301004 /nfs/dbraw/zinc/30/10/04/1308301004.db2.gz IFTZSLOWBZMHDZ-MOPGFXCFSA-N 1 3 347.547 2.879 20 0 EFADHO c1c[nH]c(CN2CC[C@H]3C[N@@H+](Cc4[nH]nc5c4CCC5)C[C@H]3CC2)c1 ZINC001276673827 1314245099 /nfs/dbraw/zinc/24/50/99/1314245099.db2.gz JQYMQKJQWOWSTA-IYBDPMFKSA-N 1 3 339.487 2.571 20 0 EFADHO c1c[nH]c(CN2CC[C@H]3C[N@H+](Cc4[nH]nc5c4CCC5)C[C@H]3CC2)c1 ZINC001276673827 1314245101 /nfs/dbraw/zinc/24/51/01/1314245101.db2.gz JQYMQKJQWOWSTA-IYBDPMFKSA-N 1 3 339.487 2.571 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009200942 1308427428 /nfs/dbraw/zinc/42/74/28/1308427428.db2.gz IRWFITBPLKCWPZ-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C)cc(CN2CCC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001009200942 1308427431 /nfs/dbraw/zinc/42/74/31/1308427431.db2.gz IRWFITBPLKCWPZ-ICSRJNTNSA-N 1 3 343.515 2.726 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001009201457 1308428483 /nfs/dbraw/zinc/42/84/83/1308428483.db2.gz KNOJAZZEZOKAFH-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCC[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001009201457 1308428484 /nfs/dbraw/zinc/42/84/84/1308428484.db2.gz KNOJAZZEZOKAFH-WOJBJXKFSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001009203262 1308429453 /nfs/dbraw/zinc/42/94/53/1308429453.db2.gz PNLCBIZIGQVHIQ-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203262 1308429454 /nfs/dbraw/zinc/42/94/54/1308429454.db2.gz PNLCBIZIGQVHIQ-XLIONFOSSA-N 1 3 343.515 2.671 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001209836787 1314247416 /nfs/dbraw/zinc/24/74/16/1314247416.db2.gz NKHMEVZYTKXRFI-SFHVURJKSA-N 1 3 340.471 2.556 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001009223136 1308438191 /nfs/dbraw/zinc/43/81/91/1308438191.db2.gz GDUJZHQDSIQBQH-MJGOQNOKSA-N 1 3 341.499 2.732 20 0 EFADHO C[NH2+]Cc1cccc(-c2nc(CN)ccc2NC(=O)C(C)(C)C)c1 ZINC001242994314 1314251195 /nfs/dbraw/zinc/25/11/95/1314251195.db2.gz GHJCUJWEROFNGS-UHFFFAOYSA-N 1 3 326.444 2.911 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001046314562 1308529804 /nfs/dbraw/zinc/52/98/04/1308529804.db2.gz DENBPZVTXKTJJL-FPOVZHCZSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001046314562 1308529809 /nfs/dbraw/zinc/52/98/09/1308529809.db2.gz DENBPZVTXKTJJL-FPOVZHCZSA-N 1 3 343.515 2.948 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCc2cccs2)C1 ZINC001046315545 1308530794 /nfs/dbraw/zinc/53/07/94/1308530794.db2.gz KCCDVTACQRXDPV-HKUYNNGSSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCc2cccs2)C1 ZINC001046315545 1308530798 /nfs/dbraw/zinc/53/07/98/1308530798.db2.gz KCCDVTACQRXDPV-HKUYNNGSSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001046316029 1308531673 /nfs/dbraw/zinc/53/16/73/1308531673.db2.gz MJWIVYOOURVFQV-ICSRJNTNSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001046316029 1308531678 /nfs/dbraw/zinc/53/16/78/1308531678.db2.gz MJWIVYOOURVFQV-ICSRJNTNSA-N 1 3 329.488 2.640 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C)cc3)C2)CC[N@@H+]1C ZINC001046330271 1308546013 /nfs/dbraw/zinc/54/60/13/1308546013.db2.gz ICDHULSJQLJBPB-QKNQBKEWSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C)cc3)C2)CC[N@H+]1C ZINC001046330271 1308546018 /nfs/dbraw/zinc/54/60/18/1308546018.db2.gz ICDHULSJQLJBPB-QKNQBKEWSA-N 1 3 343.515 2.806 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001046329839 1308546196 /nfs/dbraw/zinc/54/61/96/1308546196.db2.gz SEWFYCYTGAYAGW-OZOXKJRCSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1ccc(CN2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001046329839 1308546199 /nfs/dbraw/zinc/54/61/99/1308546199.db2.gz SEWFYCYTGAYAGW-OZOXKJRCSA-N 1 3 343.515 2.670 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001009510579 1308553531 /nfs/dbraw/zinc/55/35/31/1308553531.db2.gz RPGRCVCVRPNNEU-RTBURBONSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009510579 1308553534 /nfs/dbraw/zinc/55/35/34/1308553534.db2.gz RPGRCVCVRPNNEU-RTBURBONSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H](F)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627204 1308590152 /nfs/dbraw/zinc/59/01/52/1308590152.db2.gz KXQAPTDNJXFSPX-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@H](F)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)C1 ZINC001009627204 1308590154 /nfs/dbraw/zinc/59/01/54/1308590154.db2.gz KXQAPTDNJXFSPX-RDJZCZTQSA-N 1 3 335.467 2.691 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC001413204207 1308610943 /nfs/dbraw/zinc/61/09/43/1308610943.db2.gz CPUNYVRIUBCZNE-XBMUEBEBSA-N 1 3 336.520 2.959 20 0 EFADHO CC(C)(C)[C@]1(C[NH2+]C[C@H]2COCO2)CCN(Cc2ccccc2)C1 ZINC001413223291 1308727376 /nfs/dbraw/zinc/72/73/76/1308727376.db2.gz NWSLHJISPLWGAE-ICSRJNTNSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@H]2COCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001413223291 1308727382 /nfs/dbraw/zinc/72/73/82/1308727382.db2.gz NWSLHJISPLWGAE-ICSRJNTNSA-N 1 3 332.488 2.887 20 0 EFADHO CC(C)(C)[C@]1(CNC[C@H]2COCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001413223291 1308727387 /nfs/dbraw/zinc/72/73/87/1308727387.db2.gz NWSLHJISPLWGAE-ICSRJNTNSA-N 1 3 332.488 2.887 20 0 EFADHO CC[NH+]1CCN(Cc2ccc(Nc3cnc(N)cc3C)cc2)CC1 ZINC001209966898 1314265350 /nfs/dbraw/zinc/26/53/50/1314265350.db2.gz IUFBYNUDUPLDPT-UHFFFAOYSA-N 1 3 325.460 2.853 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC001046570372 1308814583 /nfs/dbraw/zinc/81/45/83/1308814583.db2.gz ZMVDFOUGWWOQNW-CUWPLCDZSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC001046570372 1308814587 /nfs/dbraw/zinc/81/45/87/1308814587.db2.gz ZMVDFOUGWWOQNW-CUWPLCDZSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001046595722 1308871028 /nfs/dbraw/zinc/87/10/28/1308871028.db2.gz NBLVBPBOSQDHJB-NRFANRHFSA-N 1 3 343.515 2.726 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC001276676713 1314270950 /nfs/dbraw/zinc/27/09/50/1314270950.db2.gz LWWLYLPSQHPTFB-HXUWFJFHSA-N 1 3 347.551 2.557 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1c[nH]nc1C(C)(C)C)C2 ZINC001276676713 1314270951 /nfs/dbraw/zinc/27/09/51/1314270951.db2.gz LWWLYLPSQHPTFB-HXUWFJFHSA-N 1 3 347.551 2.557 20 0 EFADHO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001019339214 1314282007 /nfs/dbraw/zinc/28/20/07/1314282007.db2.gz VMLGQZZWTPZLDY-HHXXYDBFSA-N 1 3 347.503 2.533 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1)N(C)C ZINC001019342734 1314283495 /nfs/dbraw/zinc/28/34/95/1314283495.db2.gz FHMDVSWSQAULMX-DLBZAZTESA-N 1 3 337.895 2.617 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001019342634 1314283570 /nfs/dbraw/zinc/28/35/70/1314283570.db2.gz AALPIXLPIXKRHF-RBUKOAKNSA-N 1 3 331.504 2.526 20 0 EFADHO CCCCCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](CC)OC)C1 ZINC001210181128 1314292301 /nfs/dbraw/zinc/29/23/01/1314292301.db2.gz BONMCBLUWAGGPM-ROUUACIJSA-N 1 3 341.540 2.504 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001210217035 1314296183 /nfs/dbraw/zinc/29/61/83/1314296183.db2.gz CHBUYQMJNZEHQD-IEBWSBKVSA-N 1 3 347.478 2.735 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001210218984 1314296812 /nfs/dbraw/zinc/29/68/12/1314296812.db2.gz RQGRRZZPQBLPOY-KRWDZBQOSA-N 1 3 343.471 2.855 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(CC)CC)C2)cc1 ZINC001210218131 1314297003 /nfs/dbraw/zinc/29/70/03/1314297003.db2.gz OOUDYBPQCHPLBI-IBGZPJMESA-N 1 3 331.504 2.671 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001210217622 1314297039 /nfs/dbraw/zinc/29/70/39/1314297039.db2.gz KEXANVMFXWNWDS-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001210227594 1314298242 /nfs/dbraw/zinc/29/82/42/1314298242.db2.gz CPNOZPKXFIYQMU-HXUWFJFHSA-N 1 3 345.531 2.932 20 0 EFADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001210228354 1314298453 /nfs/dbraw/zinc/29/84/53/1314298453.db2.gz HXQNQESBTAHCAO-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001019382435 1314304211 /nfs/dbraw/zinc/30/42/11/1314304211.db2.gz AZTIRKQCPBCFMF-PXNSSMCTSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CN(C)C1CCC1 ZINC000901064198 1309335391 /nfs/dbraw/zinc/33/53/91/1309335391.db2.gz MTOUNRZOZLZUND-IRXDYDNUSA-N 1 3 343.515 2.744 20 0 EFADHO CCCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702114 1314310778 /nfs/dbraw/zinc/31/07/78/1314310778.db2.gz LLOWGHWISZBBGW-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CCCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052702114 1314310782 /nfs/dbraw/zinc/31/07/82/1314310782.db2.gz LLOWGHWISZBBGW-LPHOPBHVSA-N 1 3 341.515 2.970 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC001019397229 1314313037 /nfs/dbraw/zinc/31/30/37/1314313037.db2.gz PFBDEWRBMTWNME-UHOSZYNNSA-N 1 3 347.478 2.734 20 0 EFADHO CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705772 1314313213 /nfs/dbraw/zinc/31/32/13/1314313213.db2.gz JSRCSHGIVZLAFI-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052705772 1314313216 /nfs/dbraw/zinc/31/32/16/1314313216.db2.gz JSRCSHGIVZLAFI-MAUKXSAKSA-N 1 3 327.488 2.580 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2C)C1)N(C)C ZINC001019397420 1314313208 /nfs/dbraw/zinc/31/32/08/1314313208.db2.gz ZCBVXJJRYMGPBE-IRXDYDNUSA-N 1 3 337.895 2.679 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1)N(C)C ZINC001019397406 1314313301 /nfs/dbraw/zinc/31/33/01/1314313301.db2.gz YLNLZBIVJGXNBH-VHSSKADRSA-N 1 3 349.906 2.858 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706390 1314313526 /nfs/dbraw/zinc/31/35/26/1314313526.db2.gz RYQOOGKEZFGRMU-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706390 1314313530 /nfs/dbraw/zinc/31/35/30/1314313530.db2.gz RYQOOGKEZFGRMU-LPHOPBHVSA-N 1 3 341.515 2.826 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706000 1314314202 /nfs/dbraw/zinc/31/42/02/1314314202.db2.gz NJURFSOKTQQRPM-MAUKXSAKSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001052706000 1314314205 /nfs/dbraw/zinc/31/42/05/1314314205.db2.gz NJURFSOKTQQRPM-MAUKXSAKSA-N 1 3 327.488 2.578 20 0 EFADHO CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001046834670 1309485111 /nfs/dbraw/zinc/48/51/11/1309485111.db2.gz VDJCRUZHVIFWSG-CTNGQTDRSA-N 1 3 343.515 2.842 20 0 EFADHO CC(C)c1ccc(CN2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001046834670 1309485118 /nfs/dbraw/zinc/48/51/18/1309485118.db2.gz VDJCRUZHVIFWSG-CTNGQTDRSA-N 1 3 343.515 2.842 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001052712085 1314317372 /nfs/dbraw/zinc/31/73/72/1314317372.db2.gz FBVTVDQQGSORDY-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001052712085 1314317376 /nfs/dbraw/zinc/31/73/76/1314317376.db2.gz FBVTVDQQGSORDY-LPHOPBHVSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001052712123 1314318594 /nfs/dbraw/zinc/31/85/94/1314318594.db2.gz FPVMSDCKTRIESP-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001052712123 1314318597 /nfs/dbraw/zinc/31/85/97/1314318597.db2.gz FPVMSDCKTRIESP-VQIMIIECSA-N 1 3 347.478 2.781 20 0 EFADHO Cc1cccc(C[N@H+]2CCC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001052712394 1314318846 /nfs/dbraw/zinc/31/88/46/1314318846.db2.gz HWYTYCLENDIUGT-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CN3CCC[C@@H]3C)CC2)c1 ZINC001052712394 1314318847 /nfs/dbraw/zinc/31/88/47/1314318847.db2.gz HWYTYCLENDIUGT-ICSRJNTNSA-N 1 3 343.515 2.950 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712582 1314319068 /nfs/dbraw/zinc/31/90/68/1314319068.db2.gz KVDOFTWOYSJRTE-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712582 1314319071 /nfs/dbraw/zinc/31/90/71/1314319071.db2.gz KVDOFTWOYSJRTE-QFBILLFUSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001052713468 1314319363 /nfs/dbraw/zinc/31/93/63/1314319363.db2.gz XYSSIFLTWSYZIE-YJBOKZPZSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001052713468 1314319367 /nfs/dbraw/zinc/31/93/67/1314319367.db2.gz XYSSIFLTWSYZIE-YJBOKZPZSA-N 1 3 349.544 2.869 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052713215 1314319384 /nfs/dbraw/zinc/31/93/84/1314319384.db2.gz TTZUMSGLCHNHRO-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052713215 1314319390 /nfs/dbraw/zinc/31/93/90/1314319390.db2.gz TTZUMSGLCHNHRO-HKUYNNGSSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001052712751 1314319762 /nfs/dbraw/zinc/31/97/62/1314319762.db2.gz OEXOHOVHDJJGHX-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001052712751 1314319766 /nfs/dbraw/zinc/31/97/66/1314319766.db2.gz OEXOHOVHDJJGHX-PKOBYXMFSA-N 1 3 333.520 2.942 20 0 EFADHO CC[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853264 1309528103 /nfs/dbraw/zinc/52/81/03/1309528103.db2.gz VBPSWLGTUVNIHG-JXFKEZNVSA-N 1 3 331.504 2.989 20 0 EFADHO CC[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001046853264 1309528111 /nfs/dbraw/zinc/52/81/11/1309528111.db2.gz VBPSWLGTUVNIHG-JXFKEZNVSA-N 1 3 331.504 2.989 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001052713218 1314319834 /nfs/dbraw/zinc/31/98/34/1314319834.db2.gz TTZUMSGLCHNHRO-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001052713218 1314319837 /nfs/dbraw/zinc/31/98/37/1314319837.db2.gz TTZUMSGLCHNHRO-PKOBYXMFSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1 ZINC001052715277 1314321036 /nfs/dbraw/zinc/32/10/36/1314321036.db2.gz BXMLIDUYVHOAPU-IRXDYDNUSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1 ZINC001052715277 1314321040 /nfs/dbraw/zinc/32/10/40/1314321040.db2.gz BXMLIDUYVHOAPU-IRXDYDNUSA-N 1 3 349.544 2.746 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712580 1314318145 /nfs/dbraw/zinc/31/81/45/1314318145.db2.gz KVDOFTWOYSJRTE-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC001052712580 1314318148 /nfs/dbraw/zinc/31/81/48/1314318148.db2.gz KVDOFTWOYSJRTE-APWZRJJASA-N 1 3 347.478 2.638 20 0 EFADHO C[C@@H]1CN(CCc2ccccc2F)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210426637 1314332142 /nfs/dbraw/zinc/33/21/42/1314332142.db2.gz JSPDQZWYLCRFFW-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO C[C@@H]1CN(Cc2ccc(CF)cc2)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427131 1314332555 /nfs/dbraw/zinc/33/25/55/1314332555.db2.gz OINAPGZIMYXBNL-VQIMIIECSA-N 1 3 349.494 2.825 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964334 1309786441 /nfs/dbraw/zinc/78/64/41/1309786441.db2.gz PQGHSKVGGDNMAC-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CN(C(C)C)CCC2(F)F)C1 ZINC001046964334 1309786447 /nfs/dbraw/zinc/78/64/47/1309786447.db2.gz PQGHSKVGGDNMAC-HOTGVXAUSA-N 1 3 345.478 2.590 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001210476980 1314339156 /nfs/dbraw/zinc/33/91/56/1314339156.db2.gz KAVKRLBOHSYKRE-FFQNAWCLSA-N 1 3 343.515 2.868 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(C/C=C/c2ccccc2)C[C@H]1C ZINC001210476980 1314339159 /nfs/dbraw/zinc/33/91/59/1314339159.db2.gz KAVKRLBOHSYKRE-FFQNAWCLSA-N 1 3 343.515 2.868 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001210482296 1314339778 /nfs/dbraw/zinc/33/97/78/1314339778.db2.gz LYWASJBDTOCCML-GOSISDBHSA-N 1 3 346.519 2.627 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cccc(C(C)C)n2)C1 ZINC001210482296 1314339781 /nfs/dbraw/zinc/33/97/81/1314339781.db2.gz LYWASJBDTOCCML-GOSISDBHSA-N 1 3 346.519 2.627 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001210483495 1314341091 /nfs/dbraw/zinc/34/10/91/1314341091.db2.gz ZOLVMEUNXMLBDF-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc3ccccc3o2)C1 ZINC001210483495 1314341095 /nfs/dbraw/zinc/34/10/95/1314341095.db2.gz ZOLVMEUNXMLBDF-QGZVFWFLSA-N 1 3 343.471 2.855 20 0 EFADHO CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046993338 1309874671 /nfs/dbraw/zinc/87/46/71/1309874671.db2.gz CYSCQQXXSXEJOR-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001046993338 1309874681 /nfs/dbraw/zinc/87/46/81/1309874681.db2.gz CYSCQQXXSXEJOR-JKSUJKDBSA-N 1 3 345.478 2.734 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001210494490 1314343099 /nfs/dbraw/zinc/34/30/99/1314343099.db2.gz VMLNWJFHIDWITM-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCc2cc(C)ccc2F)C1 ZINC001210494490 1314343103 /nfs/dbraw/zinc/34/31/03/1314343103.db2.gz VMLNWJFHIDWITM-KRWDZBQOSA-N 1 3 335.467 2.557 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052763069 1314356991 /nfs/dbraw/zinc/35/69/91/1314356991.db2.gz CSPQSRZOPOUZQL-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052763069 1314356995 /nfs/dbraw/zinc/35/69/95/1314356995.db2.gz CSPQSRZOPOUZQL-IRXDYDNUSA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052763071 1314357054 /nfs/dbraw/zinc/35/70/54/1314357054.db2.gz CSPQSRZOPOUZQL-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052763071 1314357057 /nfs/dbraw/zinc/35/70/57/1314357057.db2.gz CSPQSRZOPOUZQL-SJORKVTESA-N 1 3 327.488 2.580 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2)N1CCCC1 ZINC001047121295 1310150552 /nfs/dbraw/zinc/15/05/52/1310150552.db2.gz GFPOOGPGTMMKEJ-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2)N1CCCC1 ZINC001047121295 1310150557 /nfs/dbraw/zinc/15/05/57/1310150557.db2.gz GFPOOGPGTMMKEJ-BZSNNMDCSA-N 1 3 333.520 2.630 20 0 EFADHO CCCn1ncc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1C ZINC001276688005 1314368881 /nfs/dbraw/zinc/36/88/81/1314368881.db2.gz KOOODUSDPUOUPA-UXHICEINSA-N 1 3 347.551 2.688 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(C)(C)C1)C2 ZINC001047189686 1310276204 /nfs/dbraw/zinc/27/62/04/1310276204.db2.gz CMHPEVICNJASSS-UAGQMJEPSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CC(C)(C)C1)C2 ZINC001047189686 1310276216 /nfs/dbraw/zinc/27/62/16/1310276216.db2.gz CMHPEVICNJASSS-UAGQMJEPSA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)(C)C)C2 ZINC001047190525 1310278929 /nfs/dbraw/zinc/27/89/29/1310278929.db2.gz RUKRCLXUMSNRPJ-JYJNAYRXSA-N 1 3 332.492 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)(C)C)C2 ZINC001047190525 1310278936 /nfs/dbraw/zinc/27/89/36/1310278936.db2.gz RUKRCLXUMSNRPJ-JYJNAYRXSA-N 1 3 332.492 2.666 20 0 EFADHO CC(C)=CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)CC1 ZINC001047225209 1310351907 /nfs/dbraw/zinc/35/19/07/1310351907.db2.gz ANEPKYMSZUKREE-VQTJNVASSA-N 1 3 347.547 2.997 20 0 EFADHO CCC[NH+]1CCC([C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001047243382 1310397212 /nfs/dbraw/zinc/39/72/12/1310397212.db2.gz KGQAREJUTSZHNP-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC001019560428 1314383583 /nfs/dbraw/zinc/38/35/83/1314383583.db2.gz FXEKJPZSKYUXME-QUCCMNQESA-N 1 3 343.515 2.978 20 0 EFADHO CC(C)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)CC1 ZINC001047244483 1310400240 /nfs/dbraw/zinc/40/02/40/1310400240.db2.gz SNRZPVAVVFVEPU-PMACEKPBSA-N 1 3 349.563 2.933 20 0 EFADHO CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H](C3CC3)N(C)C)C2)CC1 ZINC001047244703 1310401419 /nfs/dbraw/zinc/40/14/19/1310401419.db2.gz UVESRQTULRPRPU-RTBURBONSA-N 1 3 335.536 2.686 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C2CC[NH+](CCCF)CC2)C1)N(C)C ZINC001047244810 1310401517 /nfs/dbraw/zinc/40/15/17/1310401517.db2.gz UMXFWULMJUUAOB-ZWKOTPCHSA-N 1 3 341.515 2.637 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC3CCC4(CC4)CC3)C2)CC1 ZINC001019560504 1314384106 /nfs/dbraw/zinc/38/41/06/1314384106.db2.gz JHNJKGJRYUKJCZ-IBGZPJMESA-N 1 3 347.547 2.879 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001019560664 1314384219 /nfs/dbraw/zinc/38/42/19/1314384219.db2.gz RJWAQIMPWDUWNM-MJGOQNOKSA-N 1 3 329.488 2.670 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CN3CC[C@H](C)C3)C2)CC1 ZINC001047256066 1310429377 /nfs/dbraw/zinc/42/93/77/1310429377.db2.gz GBPGZMUDEUVNMR-HKUYNNGSSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001047257119 1310432557 /nfs/dbraw/zinc/43/25/57/1310432557.db2.gz PBTPBSSFLRCOGN-XLIONFOSSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)CC1 ZINC001047257790 1310434119 /nfs/dbraw/zinc/43/41/19/1310434119.db2.gz UIHBWGJDFDOPPP-MJGOQNOKSA-N 1 3 335.536 2.830 20 0 EFADHO CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047260030 1310439895 /nfs/dbraw/zinc/43/98/95/1310439895.db2.gz WQOZXEVOUWNGNO-QGZVFWFLSA-N 1 3 332.492 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001047260413 1310441303 /nfs/dbraw/zinc/44/13/03/1310441303.db2.gz ZTCSXCUYNNTQIJ-SFHVURJKSA-N 1 3 344.503 2.703 20 0 EFADHO CC(C)C[NH+]1CCC([C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001047260198 1310441322 /nfs/dbraw/zinc/44/13/22/1310441322.db2.gz YBAOAUROPFCZGE-QGZVFWFLSA-N 1 3 332.492 2.559 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H](C2CC[NH+](CC)CC2)C1 ZINC001047266061 1310461036 /nfs/dbraw/zinc/46/10/36/1310461036.db2.gz PKWKFNDKOLXIQA-RBUKOAKNSA-N 1 3 335.536 2.831 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001210782726 1314386992 /nfs/dbraw/zinc/38/69/92/1314386992.db2.gz ONICVTCNPXTLTQ-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001210788554 1314388375 /nfs/dbraw/zinc/38/83/75/1314388375.db2.gz FFPASDXTZNDTEI-CYBMUJFWSA-N 1 3 343.924 2.824 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001210789061 1314389057 /nfs/dbraw/zinc/38/90/57/1314389057.db2.gz MIMLKCVJKUMYBK-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCc2cc(C)ccc2F)C1 ZINC001210789061 1314389061 /nfs/dbraw/zinc/38/90/61/1314389061.db2.gz MIMLKCVJKUMYBK-GOSISDBHSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001210810873 1314392090 /nfs/dbraw/zinc/39/20/90/1314392090.db2.gz GGPJPPRCABNVDX-CVEARBPZSA-N 1 3 345.478 2.734 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC001210810619 1314392337 /nfs/dbraw/zinc/39/23/37/1314392337.db2.gz BEBWTJWRNPOSPT-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](NCc3ccsc3)C2)CC1 ZINC001019593387 1314392522 /nfs/dbraw/zinc/39/25/22/1314392522.db2.gz XHVJKZBINGFISO-KRWDZBQOSA-N 1 3 335.517 2.559 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1Cl ZINC001019660214 1314412688 /nfs/dbraw/zinc/41/26/88/1314412688.db2.gz BEYHGKJLFMMCAW-CABCVRRESA-N 1 3 347.890 2.687 20 0 EFADHO COc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)ccc1OC(C)C ZINC001244887250 1314423802 /nfs/dbraw/zinc/42/38/02/1314423802.db2.gz FZCUMJKGIBFXTL-UHFFFAOYSA-N 1 3 327.428 2.954 20 0 EFADHO CC(C)=CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221712904 1311017515 /nfs/dbraw/zinc/01/75/15/1311017515.db2.gz RUEYLRNDMWOXMY-RTBURBONSA-N 1 3 347.547 2.997 20 0 EFADHO Cc1ccc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)cc1C ZINC001221776848 1311029587 /nfs/dbraw/zinc/02/95/87/1311029587.db2.gz GNZCPQNAKZBNKJ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1cc(CN2CC[C@@H]3CN(C(=O)CCC[NH+](C)C)[C@@H]3C2)c(C)s1 ZINC001221774141 1311029592 /nfs/dbraw/zinc/02/95/92/1311029592.db2.gz VETUVKQKMYHJDL-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CC[NH2+]C(C)(C)C ZINC000901778624 1311030357 /nfs/dbraw/zinc/03/03/57/1311030357.db2.gz QVRCMRXOQWBETK-AEFFLSMTSA-N 1 3 329.488 2.908 20 0 EFADHO CC[C@H](C(=O)N1C[C@H]2CCN(CCCCCF)C[C@H]21)[NH+](CC)CC ZINC001221811936 1311036358 /nfs/dbraw/zinc/03/63/58/1311036358.db2.gz PQRSUBHUYAOCHT-KZNAEPCWSA-N 1 3 341.515 2.779 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001221920520 1311055558 /nfs/dbraw/zinc/05/55/58/1311055558.db2.gz JIDLCRDVEMEILZ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(Cc3ccc(C)c(C)c3)C[C@H]21 ZINC001221920520 1311055561 /nfs/dbraw/zinc/05/55/61/1311055561.db2.gz JIDLCRDVEMEILZ-WOJBJXKFSA-N 1 3 343.515 2.678 20 0 EFADHO C[NH+](C)CCCCC(=O)N1C[C@H]2CCN(CC3=CCCCC3)C[C@H]21 ZINC001221962405 1311060742 /nfs/dbraw/zinc/06/07/42/1311060742.db2.gz BMWAHIVKFBTEOS-RTBURBONSA-N 1 3 333.520 2.751 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC1CC1)N1CCCC1 ZINC001111467656 1311068476 /nfs/dbraw/zinc/06/84/76/1311068476.db2.gz RFZDXBDQJLCMLP-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1)N1CCCC1 ZINC001111467656 1311068478 /nfs/dbraw/zinc/06/84/78/1311068478.db2.gz RFZDXBDQJLCMLP-AKHDSKFASA-N 1 3 333.520 2.628 20 0 EFADHO CCOC(=O)[C@@]12CN(CC3(c4ccccc4)CC3)C[C@@H]1C[NH2+]CCC2 ZINC001222125173 1311088202 /nfs/dbraw/zinc/08/82/02/1311088202.db2.gz GVJAZYOIRYIANO-RXVVDRJESA-N 1 3 342.483 2.583 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](CC3(c4ccccc4)CC3)C[C@@H]1CNCCC2 ZINC001222125173 1311088204 /nfs/dbraw/zinc/08/82/04/1311088204.db2.gz GVJAZYOIRYIANO-RXVVDRJESA-N 1 3 342.483 2.583 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](CC3(c4ccccc4)CC3)C[C@@H]1CNCCC2 ZINC001222125173 1311088206 /nfs/dbraw/zinc/08/82/06/1311088206.db2.gz GVJAZYOIRYIANO-RXVVDRJESA-N 1 3 342.483 2.583 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cc(C)ccc3C)C[C@@H]1C[NH2+]CCC2 ZINC001222125546 1311088673 /nfs/dbraw/zinc/08/86/73/1311088673.db2.gz OGUZPDJVTBCGNB-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cc(C)ccc3C)C[C@@H]1CNCCC2 ZINC001222125546 1311088674 /nfs/dbraw/zinc/08/86/74/1311088674.db2.gz OGUZPDJVTBCGNB-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C)ccc3C)C[C@@H]1CNCCC2 ZINC001222125546 1311088676 /nfs/dbraw/zinc/08/86/76/1311088676.db2.gz OGUZPDJVTBCGNB-ICSRJNTNSA-N 1 3 330.472 2.668 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cccc4ccoc43)C[C@@H]1C[NH2+]CCC2 ZINC001222136683 1311089840 /nfs/dbraw/zinc/08/98/40/1311089840.db2.gz XOADCFTUANGWFJ-PXNSSMCTSA-N 1 3 342.439 2.798 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4ccoc43)C[C@@H]1CNCCC2 ZINC001222136683 1311089841 /nfs/dbraw/zinc/08/98/41/1311089841.db2.gz XOADCFTUANGWFJ-PXNSSMCTSA-N 1 3 342.439 2.798 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4ccoc43)C[C@@H]1CNCCC2 ZINC001222136683 1311089844 /nfs/dbraw/zinc/08/98/44/1311089844.db2.gz XOADCFTUANGWFJ-PXNSSMCTSA-N 1 3 342.439 2.798 20 0 EFADHO CCOC(=O)[C@@]12CN(Cc3cccc4c3CCC4)C[C@@H]1C[NH2+]CCC2 ZINC001222140947 1311090423 /nfs/dbraw/zinc/09/04/23/1311090423.db2.gz AICUAGLKSYQEBW-RXVVDRJESA-N 1 3 342.483 2.540 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc4c3CCC4)C[C@@H]1CNCCC2 ZINC001222140947 1311090426 /nfs/dbraw/zinc/09/04/26/1311090426.db2.gz AICUAGLKSYQEBW-RXVVDRJESA-N 1 3 342.483 2.540 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc4c3CCC4)C[C@@H]1CNCCC2 ZINC001222140947 1311090428 /nfs/dbraw/zinc/09/04/28/1311090428.db2.gz AICUAGLKSYQEBW-RXVVDRJESA-N 1 3 342.483 2.540 20 0 EFADHO CCOC(=O)[C@@H]1CC2(CN1Cc1c(C)cccc1C)CC[NH2+]CC2 ZINC001222220567 1311100832 /nfs/dbraw/zinc/10/08/32/1311100832.db2.gz DKAQPZIQFHPSRR-SFHVURJKSA-N 1 3 330.472 2.811 20 0 EFADHO COc1ccc(-c2cnn(CC[NH+]3CCCC3)c2)cc1CN(C)C ZINC001222488246 1311140173 /nfs/dbraw/zinc/14/01/73/1311140173.db2.gz LQACKDRTKUYPMI-UHFFFAOYSA-N 1 3 328.460 2.716 20 0 EFADHO c1ccc([C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC23CNC3)cc1 ZINC001222596678 1311157874 /nfs/dbraw/zinc/15/78/74/1311157874.db2.gz ZSBKUDSUJJGPKC-HXUWFJFHSA-N 1 3 334.463 2.853 20 0 EFADHO c1ccc([C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC23CNC3)cc1 ZINC001222596678 1311157877 /nfs/dbraw/zinc/15/78/77/1311157877.db2.gz ZSBKUDSUJJGPKC-HXUWFJFHSA-N 1 3 334.463 2.853 20 0 EFADHO c1ccc([C@H]2CN(CCc3ccc4c(c3)CCO4)CC23C[NH2+]C3)cc1 ZINC001222596678 1311157878 /nfs/dbraw/zinc/15/78/78/1311157878.db2.gz ZSBKUDSUJJGPKC-HXUWFJFHSA-N 1 3 334.463 2.853 20 0 EFADHO COc1ccc2c(c1)n[nH]c2CN1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222615185 1311161134 /nfs/dbraw/zinc/16/11/34/1311161134.db2.gz MQBIMXOKXYNOBJ-SFHVURJKSA-N 1 3 348.450 2.761 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001223023785 1311209840 /nfs/dbraw/zinc/20/98/40/1311209840.db2.gz OUUYOOPADZYLAD-MOPGFXCFSA-N 1 3 343.515 2.840 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001223023785 1311209841 /nfs/dbraw/zinc/20/98/41/1311209841.db2.gz OUUYOOPADZYLAD-MOPGFXCFSA-N 1 3 343.515 2.840 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cnc1C ZINC001276870012 1311227066 /nfs/dbraw/zinc/22/70/66/1311227066.db2.gz KEEKFCZGHPVRBR-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO Cc1cc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cnc1C ZINC001276870012 1311227068 /nfs/dbraw/zinc/22/70/68/1311227068.db2.gz KEEKFCZGHPVRBR-UHFFFAOYSA-N 1 3 339.487 2.910 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@@H+](CCN(C)C)C3)CC2)cnc1C ZINC001276870194 1311227639 /nfs/dbraw/zinc/22/76/39/1311227639.db2.gz NCBCCQOYCRDTIF-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO Cc1cc(CN2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cnc1C ZINC001276870194 1311227642 /nfs/dbraw/zinc/22/76/42/1311227642.db2.gz NCBCCQOYCRDTIF-UHFFFAOYSA-N 1 3 344.547 2.938 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC2(CC[N@H+](C)C2)CC1 ZINC001276871846 1311233170 /nfs/dbraw/zinc/23/31/70/1311233170.db2.gz FRFKXJFRXYOEAZ-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO COC(=O)c1[nH]c2ccccc2c1CN1CCC2(CC[N@@H+](C)C2)CC1 ZINC001276871846 1311233172 /nfs/dbraw/zinc/23/31/72/1311233172.db2.gz FRFKXJFRXYOEAZ-UHFFFAOYSA-N 1 3 341.455 2.872 20 0 EFADHO CC(C)CCC[N@@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364024 1311236883 /nfs/dbraw/zinc/23/68/83/1311236883.db2.gz KTFSQCCFNJXXOG-NSHGMRRFSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CCC[N@H+]1C[C@@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364024 1311236885 /nfs/dbraw/zinc/23/68/85/1311236885.db2.gz KTFSQCCFNJXXOG-NSHGMRRFSA-N 1 3 335.536 2.545 20 0 EFADHO CC/C=C\CC[N@@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364214 1311237203 /nfs/dbraw/zinc/23/72/03/1311237203.db2.gz OASZJFSDLDUTMR-XCUNFHQJSA-N 1 3 333.520 2.607 20 0 EFADHO CC/C=C\CC[N@H+]1C[C@@H]2CN(C(=O)CN3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364214 1311237208 /nfs/dbraw/zinc/23/72/08/1311237208.db2.gz OASZJFSDLDUTMR-XCUNFHQJSA-N 1 3 333.520 2.607 20 0 EFADHO C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001047866370 1311238850 /nfs/dbraw/zinc/23/88/50/1311238850.db2.gz BONPLGXDTZEMPU-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047869093 1311240931 /nfs/dbraw/zinc/24/09/31/1311240931.db2.gz PFLUFUWQOKNWPG-RDJZCZTQSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001047870935 1311243425 /nfs/dbraw/zinc/24/34/25/1311243425.db2.gz WRMUPDUXTXAXDY-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CCN(Cc3cccc(F)c3)[C@H]2C1 ZINC001223379893 1311252518 /nfs/dbraw/zinc/25/25/18/1311252518.db2.gz ZDGUOQCFAMMBBC-MJGOQNOKSA-N 1 3 347.478 2.590 20 0 EFADHO CN(C)[C@@H](C(=O)NCC1CC[NH+](CC2=CCCCC2)CC1)C1CC1 ZINC001223465792 1311264314 /nfs/dbraw/zinc/26/43/14/1311264314.db2.gz LCMHMKHJYRTBAR-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223471568 1311264887 /nfs/dbraw/zinc/26/48/87/1311264887.db2.gz AUJSYHNTLULXMJ-ZWKOTPCHSA-N 1 3 341.515 2.826 20 0 EFADHO CC[C@H](F)CN1CCC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001223471568 1311264890 /nfs/dbraw/zinc/26/48/90/1311264890.db2.gz AUJSYHNTLULXMJ-ZWKOTPCHSA-N 1 3 341.515 2.826 20 0 EFADHO C[C@H](c1ccccc1)[NH+]1CCC(CNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001223472685 1311264943 /nfs/dbraw/zinc/26/49/43/1311264943.db2.gz SGEGITSLVAQVRT-OXQOHEQNSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)C1(C(=O)NCC2CC[NH+](CCc3cccs3)CC2)CCC1 ZINC001223471686 1311265003 /nfs/dbraw/zinc/26/50/03/1311265003.db2.gz DRAHUZRUINOFFO-UHFFFAOYSA-N 1 3 349.544 2.603 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccsc2)CC1)N(C)C ZINC001223534191 1311272807 /nfs/dbraw/zinc/27/28/07/1311272807.db2.gz WZRGCAWTBLMORN-KRWDZBQOSA-N 1 3 337.533 2.663 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001223597528 1311280211 /nfs/dbraw/zinc/28/02/11/1311280211.db2.gz MAVOLYBXRKDWLT-LJQANCHMSA-N 1 3 331.504 2.663 20 0 EFADHO CC[C@H](C(=O)NCC1CC[NH+](C[C@@H](C)CC(C)C)CC1)N(C)C ZINC001223596390 1311280455 /nfs/dbraw/zinc/28/04/55/1311280455.db2.gz AUIGPNGLWCCWLJ-FUHWJXTLSA-N 1 3 325.541 2.837 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@@H+]1C ZINC001038632091 1311305041 /nfs/dbraw/zinc/30/50/41/1311305041.db2.gz WEABGOYUTKBLMB-YTQUADARSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC[C@H]2CCN2CCC2=CCCCC2)CC[N@H+]1C ZINC001038632091 1311305045 /nfs/dbraw/zinc/30/50/45/1311305045.db2.gz WEABGOYUTKBLMB-YTQUADARSA-N 1 3 333.520 2.798 20 0 EFADHO CC(C)C[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372712 1311305576 /nfs/dbraw/zinc/30/55/76/1311305576.db2.gz LMZWCLCKIIRLHP-MDZRGWNJSA-N 1 3 341.515 2.539 20 0 EFADHO CC(C)C[N@@H+]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)[C@H](C)C1 ZINC001102372712 1311305577 /nfs/dbraw/zinc/30/55/77/1311305577.db2.gz LMZWCLCKIIRLHP-MDZRGWNJSA-N 1 3 341.515 2.539 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2C)C[C@H]1C)N(C)C ZINC001102377845 1311306137 /nfs/dbraw/zinc/30/61/37/1311306137.db2.gz GHOJDORGTCDTOE-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C)C[C@H]1C)N(C)C ZINC001102377845 1311306141 /nfs/dbraw/zinc/30/61/41/1311306141.db2.gz GHOJDORGTCDTOE-SUMDDJOVSA-N 1 3 349.494 2.658 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001102525264 1311315617 /nfs/dbraw/zinc/31/56/17/1311315617.db2.gz TYMICGKHXFNSND-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC3(CC3)CC2)C[C@H]1C ZINC001102525264 1311315622 /nfs/dbraw/zinc/31/56/22/1311315622.db2.gz TYMICGKHXFNSND-IEBWSBKVSA-N 1 3 349.563 2.983 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102525325 1311315894 /nfs/dbraw/zinc/31/58/94/1311315894.db2.gz WRYJXXAWJAYOTL-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCC2=CCCCC2)C[C@H]1C ZINC001102525325 1311315898 /nfs/dbraw/zinc/31/58/98/1311315898.db2.gz WRYJXXAWJAYOTL-IEBWSBKVSA-N 1 3 335.536 2.903 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2C)C[C@H]1C ZINC001102524988 1311316305 /nfs/dbraw/zinc/31/63/05/1311316305.db2.gz HBOPQBODGDRUJO-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2C)C[C@H]1C ZINC001102524988 1311316307 /nfs/dbraw/zinc/31/63/07/1311316307.db2.gz HBOPQBODGDRUJO-SJLPKXTDSA-N 1 3 349.494 2.660 20 0 EFADHO C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)N1CCCCC1 ZINC001102987890 1311339407 /nfs/dbraw/zinc/33/94/07/1311339407.db2.gz VHDUJUHBEUNYND-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CCNC(=O)C(C)(C)N1CCCCC1 ZINC001102987890 1311339411 /nfs/dbraw/zinc/33/94/11/1311339411.db2.gz VHDUJUHBEUNYND-SJLPKXTDSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)cc1 ZINC001047986176 1311351799 /nfs/dbraw/zinc/35/17/99/1311351799.db2.gz CFJMKFQLQZNYEV-MAUKXSAKSA-N 1 3 340.471 2.541 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227984 1311363135 /nfs/dbraw/zinc/36/31/35/1311363135.db2.gz RQPKOHRDEPYWAJ-KURKYZTESA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001048005718 1311365136 /nfs/dbraw/zinc/36/51/36/1311365136.db2.gz DNZREYLQYLRVPW-UYAOXDASSA-N 1 3 343.515 2.745 20 0 EFADHO Cc1ccc(F)c(CN2CCC(CNC(=O)CCC[NH+](C)C)CC2)c1 ZINC001224268798 1311368595 /nfs/dbraw/zinc/36/85/95/1311368595.db2.gz JBYUSTJIYJMKPS-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO CCC(CC)C[NH+]1CCC(CNC(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001224402535 1311385904 /nfs/dbraw/zinc/38/59/04/1311385904.db2.gz LFRZFNVIURGROV-GOSISDBHSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(CNC(=O)CN2CCC[C@@H]2C)CC1 ZINC001224536688 1311404990 /nfs/dbraw/zinc/40/49/90/1311404990.db2.gz NIEJJZFWSCXJNK-ROUUACIJSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H]1CCCN1CC(=O)NCC1CC[NH+](CCC2CCCC2)CC1 ZINC001224536702 1311405056 /nfs/dbraw/zinc/40/50/56/1311405056.db2.gz NWZQOPKTISFRFH-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001224538525 1311405120 /nfs/dbraw/zinc/40/51/20/1311405120.db2.gz XXOFWKSYUICNLK-QGZVFWFLSA-N 1 3 347.547 2.879 20 0 EFADHO Cc1cccc(C[NH+]2CCC(CNC(=O)CN3CC[C@@H](C)C3)CC2)c1 ZINC001224546121 1311405572 /nfs/dbraw/zinc/40/55/72/1311405572.db2.gz IMLDUMZINWCOSC-GOSISDBHSA-N 1 3 343.515 2.665 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001224559444 1311407163 /nfs/dbraw/zinc/40/71/63/1311407163.db2.gz OCZZFXBQTRUQAW-KRWDZBQOSA-N 1 3 333.520 2.657 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001224560570 1311407257 /nfs/dbraw/zinc/40/72/57/1311407257.db2.gz WGOJFFHXCZXEMN-QGZVFWFLSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC[NH+](CCC3CCCC3)CC2)C1 ZINC001224560565 1311407604 /nfs/dbraw/zinc/40/76/04/1311407604.db2.gz WGOJFFHXCZXEMN-KRWDZBQOSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048058711 1311417947 /nfs/dbraw/zinc/41/79/47/1311417947.db2.gz IPOPAXDRUALDHZ-RDJZCZTQSA-N 1 3 349.906 2.762 20 0 EFADHO C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001048067110 1311425936 /nfs/dbraw/zinc/42/59/36/1311425936.db2.gz RNCPVPRGDBNRRF-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO C[C@H]([NH2+]CC1CC1)[C@H]1CCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001048068477 1311427788 /nfs/dbraw/zinc/42/77/88/1311427788.db2.gz GJGINYPBQYEODS-RDJZCZTQSA-N 1 3 329.488 2.598 20 0 EFADHO C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069268 1311428918 /nfs/dbraw/zinc/42/89/18/1311428918.db2.gz OGRPUYUHRQINST-OXQOHEQNSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H]([NH2+]CC1CCC1)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001048069267 1311429088 /nfs/dbraw/zinc/42/90/88/1311429088.db2.gz OGRPUYUHRQINST-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001224894565 1311447801 /nfs/dbraw/zinc/44/78/01/1311447801.db2.gz MNYAKOVEWFIZFW-KRWDZBQOSA-N 1 3 331.504 2.918 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](CCCc2ccccc2)CC1 ZINC001224894529 1311447878 /nfs/dbraw/zinc/44/78/78/1311447878.db2.gz MIOFGFZVVRIEQB-UHFFFAOYSA-N 1 3 345.531 2.789 20 0 EFADHO CCN(CC)CC(=O)NCC1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001224911339 1311450046 /nfs/dbraw/zinc/45/00/46/1311450046.db2.gz MBTGMIJEOPMNJC-UHFFFAOYSA-N 1 3 349.494 2.804 20 0 EFADHO C[NH+](C)Cc1ccccc1N1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001277007142 1311451283 /nfs/dbraw/zinc/45/12/83/1311451283.db2.gz MHCPSXDQWBBDJP-KDURUIRLSA-N 1 3 329.488 2.580 20 0 EFADHO C[N@@H+]1CC[C@@H](OC[C@@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152242 1311482985 /nfs/dbraw/zinc/48/29/85/1311482985.db2.gz NDRAGZSFOLQRMN-UYAOXDASSA-N 1 3 332.488 2.777 20 0 EFADHO C[N@H+]1CC[C@@H](OC[C@@]2(C)CN(Cc3ccccc3)CC(C)(C)O2)C1 ZINC001225152242 1311482987 /nfs/dbraw/zinc/48/29/87/1311482987.db2.gz NDRAGZSFOLQRMN-UYAOXDASSA-N 1 3 332.488 2.777 20 0 EFADHO CCCN(C)CC(=O)NCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001225252541 1311495659 /nfs/dbraw/zinc/49/56/59/1311495659.db2.gz QTWZGXPYDAZPED-INIZCTEOSA-N 1 3 345.478 2.592 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014399891 1311497686 /nfs/dbraw/zinc/49/76/86/1311497686.db2.gz SDSHZNBECGDUNG-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014399891 1311497688 /nfs/dbraw/zinc/49/76/88/1311497688.db2.gz SDSHZNBECGDUNG-ROUUACIJSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001014399880 1311497786 /nfs/dbraw/zinc/49/77/86/1311497786.db2.gz SDSHZNBECGDUNG-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001014399880 1311497788 /nfs/dbraw/zinc/49/77/88/1311497788.db2.gz SDSHZNBECGDUNG-MSOLQXFVSA-N 1 3 333.520 2.630 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1CC[NH+](CCCC2CCC2)CC1 ZINC001225284131 1311500683 /nfs/dbraw/zinc/50/06/83/1311500683.db2.gz DJBHTCAQQWFXJP-UHFFFAOYSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1ccc(CC[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001014412062 1311503354 /nfs/dbraw/zinc/50/33/54/1311503354.db2.gz FKPCLJGHWZAEMD-UXHICEINSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1ccc(CC[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN3C(C)C)C2)cc1 ZINC001014412062 1311503356 /nfs/dbraw/zinc/50/33/56/1311503356.db2.gz FKPCLJGHWZAEMD-UXHICEINSA-N 1 3 343.515 2.601 20 0 EFADHO Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014414850 1311504422 /nfs/dbraw/zinc/50/44/22/1311504422.db2.gz RTFUSXKEKXLLPW-ICSRJNTNSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001014414850 1311504424 /nfs/dbraw/zinc/50/44/24/1311504424.db2.gz RTFUSXKEKXLLPW-ICSRJNTNSA-N 1 3 343.515 2.867 20 0 EFADHO C[C@@H](Nc1nc(N2CCCC2)cc2ccccc21)[C@@H]1C[NH2+]CCO1 ZINC001159502167 1311528750 /nfs/dbraw/zinc/52/87/50/1311528750.db2.gz LOXYEDFEHHUGRP-PBHICJAKSA-N 1 3 326.444 2.624 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001014476024 1311534844 /nfs/dbraw/zinc/53/48/44/1311534844.db2.gz NMBCIBWCELEUJX-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO CCCc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1 ZINC001014476024 1311534847 /nfs/dbraw/zinc/53/48/47/1311534847.db2.gz NMBCIBWCELEUJX-NSISKUIASA-N 1 3 343.515 2.670 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159581978 1311545118 /nfs/dbraw/zinc/54/51/18/1311545118.db2.gz YWJQRIGGRPCWEE-PXNSSMCTSA-N 1 3 341.499 2.980 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001159581978 1311545122 /nfs/dbraw/zinc/54/51/22/1311545122.db2.gz YWJQRIGGRPCWEE-PXNSSMCTSA-N 1 3 341.499 2.980 20 0 EFADHO Cc1ccccc1C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225578459 1311547105 /nfs/dbraw/zinc/54/71/05/1311547105.db2.gz SNJOCQQSTCVQBI-UHFFFAOYSA-N 1 3 331.504 2.663 20 0 EFADHO CC(C)C[C@@H](C)C[NH+]1CCC(CNC(=O)CN(C)C(C)C)CC1 ZINC001225582259 1311547935 /nfs/dbraw/zinc/54/79/35/1311547935.db2.gz GUEBYBHJJZBYMB-QGZVFWFLSA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)ccc3C)C2)CC[N@@H+]1C ZINC001014507762 1311549419 /nfs/dbraw/zinc/54/94/19/1311549419.db2.gz LACANWPQRHGRHS-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(Cc3cc(C)ccc3C)C2)CC[N@H+]1C ZINC001014507762 1311549421 /nfs/dbraw/zinc/54/94/21/1311549421.db2.gz LACANWPQRHGRHS-SLFFLAALSA-N 1 3 343.515 2.724 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)c1 ZINC001014510096 1311551137 /nfs/dbraw/zinc/55/11/37/1311551137.db2.gz VKNLYEHTSXIAPQ-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CCc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)c1 ZINC001014510096 1311551141 /nfs/dbraw/zinc/55/11/41/1311551141.db2.gz VKNLYEHTSXIAPQ-HSALFYBXSA-N 1 3 343.515 2.670 20 0 EFADHO CN1CCN(Cc2cccc(Nc3ccc4c(c3)C[NH2+]CC4)c2)CC1 ZINC001159616178 1311552702 /nfs/dbraw/zinc/55/27/02/1311552702.db2.gz UGBXNCSXBRKGFN-UHFFFAOYSA-N 1 3 336.483 2.823 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCc3c2cccc3Cl)CCC1 ZINC001159854693 1311597667 /nfs/dbraw/zinc/59/76/67/1311597667.db2.gz QQVIQTYVHYMHJD-KRWDZBQOSA-N 1 3 349.906 2.908 20 0 EFADHO CN(C)C1(C(=O)NCCC[NH2+]Cc2cc3ccccc3o2)CCC1 ZINC001159854819 1311597682 /nfs/dbraw/zinc/59/76/82/1311597682.db2.gz TXJJQUVZVMJTBE-UHFFFAOYSA-N 1 3 329.444 2.513 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)c1ccc(Cl)cc1 ZINC001159862203 1311599521 /nfs/dbraw/zinc/59/95/21/1311599521.db2.gz ZTDYXWPXUGSLGI-AWEZNQCLSA-N 1 3 337.895 2.981 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1cccc2ccccc21)C1CC1 ZINC001159914133 1311606767 /nfs/dbraw/zinc/60/67/67/1311606767.db2.gz ANRYTTORRAMULS-FQEVSTJZSA-N 1 3 339.483 2.776 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001048255170 1311607467 /nfs/dbraw/zinc/60/74/67/1311607467.db2.gz HWYBOFNNWFIIHE-FUHWJXTLSA-N 1 3 335.536 2.735 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC001159923846 1311610265 /nfs/dbraw/zinc/61/02/65/1311610265.db2.gz JIDOJSUVZURUSE-YZTRRJNXSA-N 1 3 349.906 2.789 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)c1ccc(Cl)cc1 ZINC001159932203 1311611513 /nfs/dbraw/zinc/61/15/13/1311611513.db2.gz OLHFSXGLKWRYDU-SUMWQHHRSA-N 1 3 337.895 2.837 20 0 EFADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCC2 ZINC001159932452 1311611529 /nfs/dbraw/zinc/61/15/29/1311611529.db2.gz RQLOGSKIKJHYCV-YWZLYKJASA-N 1 3 343.515 2.672 20 0 EFADHO CN(C)[C@H](C(=O)NCCC[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001159932595 1311611973 /nfs/dbraw/zinc/61/19/73/1311611973.db2.gz SGSMVFGNVCSMNU-IBGZPJMESA-N 1 3 329.488 2.500 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C2CC2)N(C)C)c(Cl)c1 ZINC001159932246 1311612082 /nfs/dbraw/zinc/61/20/82/1311612082.db2.gz PKJOBQIUAROHQV-KRWDZBQOSA-N 1 3 337.895 2.585 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001096313928 1311614013 /nfs/dbraw/zinc/61/40/13/1311614013.db2.gz RTWWWEZQTBZVJI-OWSLCNJRSA-N 1 3 339.499 2.722 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001096313928 1311614015 /nfs/dbraw/zinc/61/40/15/1311614015.db2.gz RTWWWEZQTBZVJI-OWSLCNJRSA-N 1 3 339.499 2.722 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997379 1311626216 /nfs/dbraw/zinc/62/62/16/1311626216.db2.gz OGKWNROGATYLMD-UHFFFAOYSA-N 1 3 337.895 2.729 20 0 EFADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048275071 1311628064 /nfs/dbraw/zinc/62/80/64/1311628064.db2.gz CBRIGCBBKYPOQI-RDJZCZTQSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048275072 1311628249 /nfs/dbraw/zinc/62/82/49/1311628249.db2.gz CBRIGCBBKYPOQI-WBVHZDCISA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001048275070 1311628364 /nfs/dbraw/zinc/62/83/64/1311628364.db2.gz CBRIGCBBKYPOQI-NVXWUHKLSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001048276045 1311628946 /nfs/dbraw/zinc/62/89/46/1311628946.db2.gz FAPZMLCXAZJGRR-SJLPKXTDSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014625016 1311630534 /nfs/dbraw/zinc/63/05/34/1311630534.db2.gz DEMYBLSOCNZMTB-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014625016 1311630536 /nfs/dbraw/zinc/63/05/36/1311630536.db2.gz DEMYBLSOCNZMTB-OALUTQOASA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001014625011 1311630689 /nfs/dbraw/zinc/63/06/89/1311630689.db2.gz DEMYBLSOCNZMTB-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001014625011 1311630692 /nfs/dbraw/zinc/63/06/92/1311630692.db2.gz DEMYBLSOCNZMTB-MOPGFXCFSA-N 1 3 333.520 2.942 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@@H]2C)cs1 ZINC001048277951 1311631113 /nfs/dbraw/zinc/63/11/13/1311631113.db2.gz RWMJNWRQYIEGDJ-WMLDXEAASA-N 1 3 349.544 2.725 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)cs1 ZINC001048277950 1311631223 /nfs/dbraw/zinc/63/12/23/1311631223.db2.gz RWMJNWRQYIEGDJ-RHSMWYFYSA-N 1 3 349.544 2.725 20 0 EFADHO CCOc1cc(CN[C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)ccn1 ZINC001277116956 1311642650 /nfs/dbraw/zinc/64/26/50/1311642650.db2.gz WJJFCHKDOJUMSS-UXHICEINSA-N 1 3 346.519 2.567 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)CC[N@@H+]1C ZINC001226333872 1311650451 /nfs/dbraw/zinc/65/04/51/1311650451.db2.gz OXDONYQZPFLHGP-AAVRWANBSA-N 1 3 348.318 2.663 20 0 EFADHO C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC=C(Cl)Cl)CC[N@H+]1C ZINC001226333872 1311650455 /nfs/dbraw/zinc/65/04/55/1311650455.db2.gz OXDONYQZPFLHGP-AAVRWANBSA-N 1 3 348.318 2.663 20 0 EFADHO CN(C)Cc1ccsc1C(=O)NCCC1=CC[N@H+](CCF)CC1 ZINC001160291213 1311681535 /nfs/dbraw/zinc/68/15/35/1311681535.db2.gz GFXWWDHPNWCHSK-UHFFFAOYSA-N 1 3 339.480 2.531 20 0 EFADHO CN(C)Cc1ccsc1C(=O)NCCC1=CC[N@@H+](CCF)CC1 ZINC001160291213 1311681538 /nfs/dbraw/zinc/68/15/38/1311681538.db2.gz GFXWWDHPNWCHSK-UHFFFAOYSA-N 1 3 339.480 2.531 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001014724893 1311691124 /nfs/dbraw/zinc/69/11/24/1311691124.db2.gz XTYJQGROPRHEBB-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001014724893 1311691128 /nfs/dbraw/zinc/69/11/28/1311691128.db2.gz XTYJQGROPRHEBB-RBUKOAKNSA-N 1 3 333.520 2.940 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000902384083 1311694886 /nfs/dbraw/zinc/69/48/86/1311694886.db2.gz GWLBYLTZRBODCO-DLBZAZTESA-N 1 3 330.476 2.661 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CCC(C)(C)C)CC1)C1CC1 ZINC001160359845 1311696360 /nfs/dbraw/zinc/69/63/60/1311696360.db2.gz CQKDGIFREZOKGS-GOSISDBHSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CCC(C)(C)C)CC1)C1CC1 ZINC001160359845 1311696362 /nfs/dbraw/zinc/69/63/62/1311696362.db2.gz CQKDGIFREZOKGS-GOSISDBHSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)C1CC1 ZINC001160360939 1311696675 /nfs/dbraw/zinc/69/66/75/1311696675.db2.gz ZOGBGSYARSMMPS-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CN(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)C1CC1 ZINC001160360939 1311696678 /nfs/dbraw/zinc/69/66/78/1311696678.db2.gz ZOGBGSYARSMMPS-LJQANCHMSA-N 1 3 333.520 2.655 20 0 EFADHO CN(CC(=O)NCCC1=CC[N@H+](Cc2ccccc2)CC1)C1CCC1 ZINC001160379849 1311700508 /nfs/dbraw/zinc/70/05/08/1311700508.db2.gz OMXYPACWSGBHIF-UHFFFAOYSA-N 1 3 341.499 2.809 20 0 EFADHO CN(CC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1)C1CCC1 ZINC001160379849 1311700509 /nfs/dbraw/zinc/70/05/09/1311700509.db2.gz OMXYPACWSGBHIF-UHFFFAOYSA-N 1 3 341.499 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@H+](CC2CCCC2)CC1)N(C)C ZINC001160406615 1311704668 /nfs/dbraw/zinc/70/46/68/1311704668.db2.gz RHQKOPBALYRUQR-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1)N(C)C ZINC001160406615 1311704670 /nfs/dbraw/zinc/70/46/70/1311704670.db2.gz RHQKOPBALYRUQR-IBGZPJMESA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)s1)N(C)C ZINC001160420910 1311707033 /nfs/dbraw/zinc/70/70/33/1311707033.db2.gz LLUKIWGOIQXUTE-AWEZNQCLSA-N 1 3 331.913 2.584 20 0 EFADHO CCCCN(Cc1ccccc1)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001160427619 1311707258 /nfs/dbraw/zinc/70/72/58/1311707258.db2.gz BNYWFXQRAYKXLG-GOSISDBHSA-N 1 3 329.488 2.690 20 0 EFADHO CCCCN(Cc1ccccc1)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001160427619 1311707261 /nfs/dbraw/zinc/70/72/61/1311707261.db2.gz BNYWFXQRAYKXLG-GOSISDBHSA-N 1 3 329.488 2.690 20 0 EFADHO Cc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)c(Cl)c1 ZINC001160427006 1311707308 /nfs/dbraw/zinc/70/73/08/1311707308.db2.gz LMYRFRYILAMOES-KRWDZBQOSA-N 1 3 339.911 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCN[C@H](C)c1nc2ccccc2o1)[NH+](C)C ZINC001160427896 1311707342 /nfs/dbraw/zinc/70/73/42/1311707342.db2.gz XCFPSOFDASLZBU-PBHICJAKSA-N 1 3 346.475 2.571 20 0 EFADHO CC(C)[C@@H](C(=O)NCCCN[C@H](C)c1c(F)cccc1F)[NH+](C)C ZINC001160434178 1311709256 /nfs/dbraw/zinc/70/92/56/1311709256.db2.gz QQRMMTYWINEZSL-DYVFJYSZSA-N 1 3 341.446 2.708 20 0 EFADHO C[NH2+]CC1CCN(C(=O)C[C@H](N)c2cccc(C(F)(F)F)c2)CC1 ZINC001160459055 1311714178 /nfs/dbraw/zinc/71/41/78/1311714178.db2.gz GAGNCRUMTPUTCA-HNNXBMFYSA-N 1 3 343.393 2.553 20 0 EFADHO Cc1ccccc1CN1CCO[C@H](CN[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902403980 1311714269 /nfs/dbraw/zinc/71/42/69/1311714269.db2.gz GUKKKEIJQFURFB-WOJBJXKFSA-N 1 3 345.531 2.564 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC2CC(C)(C)C2)CCC1 ZINC001226792990 1311724038 /nfs/dbraw/zinc/72/40/38/1311724038.db2.gz YKKQMPOEAKKCSE-IAGOWNOFSA-N 1 3 335.536 2.924 20 0 EFADHO CN(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)C1CC1 ZINC001226801168 1311725074 /nfs/dbraw/zinc/72/50/74/1311725074.db2.gz UFZWPTOPHVHDNX-GUDVDZBRSA-N 1 3 333.520 2.844 20 0 EFADHO CN(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1)C1CC1 ZINC001226800289 1311725338 /nfs/dbraw/zinc/72/53/38/1311725338.db2.gz JJLIWZHXHAFHJR-QRVBRYPASA-N 1 3 335.536 2.924 20 0 EFADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001160523338 1311727764 /nfs/dbraw/zinc/72/77/64/1311727764.db2.gz AONQKTQFYPLAGF-IBGZPJMESA-N 1 3 325.456 2.612 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCCC1)C1CCC1 ZINC001226824002 1311729014 /nfs/dbraw/zinc/72/90/14/1311729014.db2.gz ICEMMYNXHNKKHN-RTBURBONSA-N 1 3 333.520 2.988 20 0 EFADHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1)C1CCC1 ZINC001226823781 1311729025 /nfs/dbraw/zinc/72/90/25/1311729025.db2.gz DPLNYFPENIBUGL-RTBURBONSA-N 1 3 347.478 2.827 20 0 EFADHO CSc1ccc(Br)cc1CCN[C@@H](C)C1C[NH2+]C1 ZINC000902429698 1311736597 /nfs/dbraw/zinc/73/65/97/1311736597.db2.gz NBWJBVFOYUFTAL-JTQLQIEISA-N 1 3 329.307 2.911 20 0 EFADHO C[C@@H](c1ccccc1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356502 1311747520 /nfs/dbraw/zinc/74/75/20/1311747520.db2.gz SENTVUKYKBGAEB-NQYYFHDYSA-N 1 3 339.483 2.565 20 0 EFADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001048419036 1311755721 /nfs/dbraw/zinc/75/57/21/1311755721.db2.gz XVLWALFJUOLQQJ-AZUAARDMSA-N 1 3 347.547 2.903 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c(F)c1)N(C)C ZINC001227056584 1311756139 /nfs/dbraw/zinc/75/61/39/1311756139.db2.gz GYLDSHXHIYNSSA-GUDVDZBRSA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001227057071 1311756373 /nfs/dbraw/zinc/75/63/73/1311756373.db2.gz LXQPXQLIVQDWIP-GUDVDZBRSA-N 1 3 347.503 2.552 20 0 EFADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1 ZINC001160695342 1311761666 /nfs/dbraw/zinc/76/16/66/1311761666.db2.gz KQIARUMAFNDGMI-DOMZBBRYSA-N 1 3 343.393 2.553 20 0 EFADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[C@@H](N)c1ccc(Cl)cc1Cl ZINC001160695681 1311761672 /nfs/dbraw/zinc/76/16/72/1311761672.db2.gz OVIODABANMOTNR-IAQYHMDHSA-N 1 3 344.286 2.841 20 0 EFADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC001160695477 1311761992 /nfs/dbraw/zinc/76/19/92/1311761992.db2.gz MOFCFQJZLJQDRU-IUODEOHRSA-N 1 3 343.393 2.553 20 0 EFADHO CC[NH+](CC)CCN(C)C(=O)[C@H]1[C@H]2CC[C@@H]1CN(Cc1ccoc1)C2 ZINC001277182067 1311764021 /nfs/dbraw/zinc/76/40/21/1311764021.db2.gz IUMQWMNBSLRVCJ-REPLKXPHSA-N 1 3 347.503 2.538 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160713579 1311765297 /nfs/dbraw/zinc/76/52/97/1311765297.db2.gz GTLSCBRELLYGBH-FQEVSTJZSA-N 1 3 341.499 2.553 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160713579 1311765301 /nfs/dbraw/zinc/76/53/01/1311765301.db2.gz GTLSCBRELLYGBH-FQEVSTJZSA-N 1 3 341.499 2.553 20 0 EFADHO O=C([C@H]1CCC[C@@]12CCN(CCC[NH+]1CCCCC1)C2)N1CC=CC1 ZINC001277183059 1311766083 /nfs/dbraw/zinc/76/60/83/1311766083.db2.gz LARPAOKJXUMAPI-CTNGQTDRSA-N 1 3 345.531 2.753 20 0 EFADHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1OC1CC=CC1 ZINC001227160698 1311770368 /nfs/dbraw/zinc/77/03/68/1311770368.db2.gz LARLIYQUGVSODB-UHFFFAOYSA-N 1 3 331.504 2.969 20 0 EFADHO CN(Cc1ccc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)nc1)C1CC1 ZINC001160741760 1311772285 /nfs/dbraw/zinc/77/22/85/1311772285.db2.gz GGVNUUIWSZMSCZ-ZIAGYGMSSA-N 1 3 328.382 2.628 20 0 EFADHO CN(Cc1ccccc1Oc1ccccc1)C(=O)[C@@H](N)CCC[NH3+] ZINC001160747189 1311773621 /nfs/dbraw/zinc/77/36/21/1311773621.db2.gz REFTUQNPSGXSCU-KRWDZBQOSA-N 1 3 327.428 2.504 20 0 EFADHO O=C(N[C@H]1CCN(CC2=CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001014911460 1311796101 /nfs/dbraw/zinc/79/61/01/1311796101.db2.gz UFRDEKNJXNACEM-SFHVURJKSA-N 1 3 331.504 2.553 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21)N(C)C ZINC001160882992 1311802332 /nfs/dbraw/zinc/80/23/32/1311802332.db2.gz DQANMSBGUVYSFL-IAGOWNOFSA-N 1 3 337.895 2.763 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1)N(C)C ZINC001160882964 1311802350 /nfs/dbraw/zinc/80/23/50/1311802350.db2.gz CLHLWNMEIZVDTH-CZUORRHYSA-N 1 3 325.884 2.837 20 0 EFADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H](CC)N(C)C)c1ccc(F)cc1F ZINC001160890134 1311803540 /nfs/dbraw/zinc/80/35/40/1311803540.db2.gz VXQBLLMKKBRIII-IAGOWNOFSA-N 1 3 341.446 2.852 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+]Cc1ccc(Cl)c(Cl)c1)N(C)C ZINC001160889099 1311803878 /nfs/dbraw/zinc/80/38/78/1311803878.db2.gz CKGFESRSUGIPRR-OAHLLOKOSA-N 1 3 346.302 2.930 20 0 EFADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl)N(C)C ZINC001160889670 1311803992 /nfs/dbraw/zinc/80/39/92/1311803992.db2.gz OCVQGCBLALYNHD-CZUORRHYSA-N 1 3 325.884 2.837 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CC1CCC1 ZINC001048481620 1311812373 /nfs/dbraw/zinc/81/23/73/1311812373.db2.gz ZYIQGYFVPWALCH-VQIMIIECSA-N 1 3 343.515 2.846 20 0 EFADHO Cc1noc2ccc(CN3CCCC4(CN(CC[NH+](C)C)C4)C3)cc12 ZINC001277216279 1311814403 /nfs/dbraw/zinc/81/44/03/1311814403.db2.gz BOFNBPAKZORMRF-UHFFFAOYSA-N 1 3 342.487 2.596 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001160941564 1311816014 /nfs/dbraw/zinc/81/60/14/1311816014.db2.gz UQMIGPSNQFCDAV-DLBZAZTESA-N 1 3 339.430 2.688 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001227628668 1311833382 /nfs/dbraw/zinc/83/33/82/1311833382.db2.gz GHXZJRQVYIJZAK-LJQANCHMSA-N 1 3 349.494 2.756 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161051400 1311847399 /nfs/dbraw/zinc/84/73/99/1311847399.db2.gz VCGHWUMFLTVRTO-CEXWTWQISA-N 1 3 329.488 2.811 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H](c3ccccc3)N2)C1 ZINC001161051400 1311847402 /nfs/dbraw/zinc/84/74/02/1311847402.db2.gz VCGHWUMFLTVRTO-CEXWTWQISA-N 1 3 329.488 2.811 20 0 EFADHO CN(C(=O)C[C@@H](N)c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161064652 1311850535 /nfs/dbraw/zinc/85/05/35/1311850535.db2.gz QYCSUVJYZFYYCM-KFWWJZLASA-N 1 3 343.393 2.824 20 0 EFADHO CN(C(=O)C[C@H](N)c1cccc(C(F)(F)F)c1)C1(C)CC[NH2+]CC1 ZINC001161073497 1311852357 /nfs/dbraw/zinc/85/23/57/1311852357.db2.gz NTXQWBNTMAEUFS-AWEZNQCLSA-N 1 3 343.393 2.696 20 0 EFADHO Cc1cccc(C)c1C[NH+]1CCC(NC(=O)C2(N(C)C)CCC2)CC1 ZINC001227792931 1311856435 /nfs/dbraw/zinc/85/64/35/1311856435.db2.gz WBFQEZBYGARUAM-UHFFFAOYSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](N)C2CC[NH2+]CC2)cc1C ZINC001161103250 1311857729 /nfs/dbraw/zinc/85/77/29/1311857729.db2.gz GZQMASUSAPSURG-RBUKOAKNSA-N 1 3 329.488 2.684 20 0 EFADHO Cc1cc(CN2CC=C(CCNC(=O)CC[NH+](C)C)CC2)cs1 ZINC001161106532 1311858736 /nfs/dbraw/zinc/85/87/36/1311858736.db2.gz AELCBHDOWIAVMM-UHFFFAOYSA-N 1 3 335.517 2.647 20 0 EFADHO C[C@H](c1cccc(F)c1)N1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161107046 1311859249 /nfs/dbraw/zinc/85/92/49/1311859249.db2.gz WJXRQMULWMZXDG-MRXNPFEDSA-N 1 3 347.478 2.977 20 0 EFADHO CN(C)[C@H](C(=O)NC1CC[NH+](CCCC2CCCC2)CC1)C1CC1 ZINC001227817147 1311861043 /nfs/dbraw/zinc/86/10/43/1311861043.db2.gz JWGMZJAQVQRHFX-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)N(C)C)CC2)c(C)c1 ZINC001227818326 1311861076 /nfs/dbraw/zinc/86/10/76/1311861076.db2.gz UZVWEYFEWASJGL-HXUWFJFHSA-N 1 3 343.515 2.724 20 0 EFADHO CN(C)[C@@H](C(=O)NC1CC[NH+](CCCC2CCCC2)CC1)C1CC1 ZINC001227817150 1311861086 /nfs/dbraw/zinc/86/10/86/1311861086.db2.gz JWGMZJAQVQRHFX-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO CN(CC(=O)NC1CC[NH+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001227833140 1311863740 /nfs/dbraw/zinc/86/37/40/1311863740.db2.gz SKOCNCBULQXPCC-UHFFFAOYSA-N 1 3 333.520 2.942 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001048531693 1311869338 /nfs/dbraw/zinc/86/93/38/1311869338.db2.gz ZUHNUICEUNNHQT-FCGDIQPGSA-N 1 3 333.520 2.630 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001048531693 1311869340 /nfs/dbraw/zinc/86/93/40/1311869340.db2.gz ZUHNUICEUNNHQT-FCGDIQPGSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CCN(C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001227899414 1311871142 /nfs/dbraw/zinc/87/11/42/1311871142.db2.gz FUQMTWHEKJKHNT-WUQYLLKWSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCc3ccccc32)CC1)N(C)C ZINC001227900472 1311871877 /nfs/dbraw/zinc/87/18/77/1311871877.db2.gz VANQSNDJKGTZOT-UXHICEINSA-N 1 3 343.515 2.841 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1)N(C)C ZINC001227907602 1311872316 /nfs/dbraw/zinc/87/23/16/1311872316.db2.gz FUVCYPYLEWIDJJ-SFHVURJKSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001227909009 1311872409 /nfs/dbraw/zinc/87/24/09/1311872409.db2.gz WKLMLKWJQXBFDE-HOCLYGCPSA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccc(C[NH+]2CCC(NC(=O)[C@H](C(C)C)N(C)C)CC2)cc1 ZINC001227907362 1311872459 /nfs/dbraw/zinc/87/24/59/1311872459.db2.gz CRAAPUIIAPUKGC-FQEVSTJZSA-N 1 3 345.531 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1)N(C)C ZINC001227909011 1311873044 /nfs/dbraw/zinc/87/30/44/1311873044.db2.gz WKLMLKWJQXBFDE-ZBFHGGJFSA-N 1 3 345.478 2.589 20 0 EFADHO Cc1ccc(CN(C(=O)[C@@H]2CNC[C@H](F)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001161395547 1311878049 /nfs/dbraw/zinc/87/80/49/1311878049.db2.gz FSLRXALYEIONNS-RDGPPVDQSA-N 1 3 347.478 2.541 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001015052827 1311883322 /nfs/dbraw/zinc/88/33/22/1311883322.db2.gz OCFLASUXSYCIFG-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001015052827 1311883326 /nfs/dbraw/zinc/88/33/26/1311883326.db2.gz OCFLASUXSYCIFG-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001015052696 1311883890 /nfs/dbraw/zinc/88/38/90/1311883890.db2.gz NQPUIFIDONUWOH-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001015052696 1311883892 /nfs/dbraw/zinc/88/38/92/1311883892.db2.gz NQPUIFIDONUWOH-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1)N(C)C ZINC001227986908 1311884800 /nfs/dbraw/zinc/88/48/00/1311884800.db2.gz PFCLJFGLSMEDFG-WOJBJXKFSA-N 1 3 343.515 2.985 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161427588 1311885933 /nfs/dbraw/zinc/88/59/33/1311885933.db2.gz CWEDBGZVFMZIMA-IBGZPJMESA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001161436542 1311889089 /nfs/dbraw/zinc/88/90/89/1311889089.db2.gz LAKTZRCRPLVEFW-HNAYVOBHSA-N 1 3 347.478 2.637 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC001228040441 1311892667 /nfs/dbraw/zinc/89/26/67/1311892667.db2.gz YVPDAHHDPIFHET-UHFFFAOYSA-N 1 3 345.531 2.930 20 0 EFADHO CCN(C)C(C)(C)C(=O)NC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001228065607 1311896201 /nfs/dbraw/zinc/89/62/01/1311896201.db2.gz RXBLOQIPOFCHJB-UHFFFAOYSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@]1(C[NH3+])CCCN(C(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)C1 ZINC001161488679 1311898973 /nfs/dbraw/zinc/89/89/73/1311898973.db2.gz NSXIXLLEKBFNCG-GDBMZVCRSA-N 1 3 344.286 2.971 20 0 EFADHO CC[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089590 1311904443 /nfs/dbraw/zinc/90/44/43/1311904443.db2.gz KZEWCDYLWKGAMG-MOPGFXCFSA-N 1 3 341.499 2.957 20 0 EFADHO CC[C@H](c1ccccc1)N1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015089592 1311904671 /nfs/dbraw/zinc/90/46/71/1311904671.db2.gz KZEWCDYLWKGAMG-RBUKOAKNSA-N 1 3 341.499 2.957 20 0 EFADHO CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C2 ZINC001048589763 1311940670 /nfs/dbraw/zinc/94/06/70/1311940670.db2.gz AFPKGIDMBQNWGB-GGPHIMKMSA-N 1 3 329.488 2.741 20 0 EFADHO CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)C2 ZINC001048589763 1311940675 /nfs/dbraw/zinc/94/06/75/1311940675.db2.gz AFPKGIDMBQNWGB-GGPHIMKMSA-N 1 3 329.488 2.741 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001228434574 1311947662 /nfs/dbraw/zinc/94/76/62/1311947662.db2.gz BIAKQMJCZXFNDB-GUDVDZBRSA-N 1 3 349.494 2.929 20 0 EFADHO C[NH+](C)[C@@](C)(C(=O)NCCC1=CCN(CCF)CC1)c1ccccc1 ZINC001161688782 1311952386 /nfs/dbraw/zinc/95/23/86/1311952386.db2.gz SFZUBZKEKSQCMD-HXUWFJFHSA-N 1 3 347.478 2.571 20 0 EFADHO Cc1cc(CN[C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)cs1 ZINC001277310836 1311964961 /nfs/dbraw/zinc/96/49/61/1311964961.db2.gz VNFGGGFGJAZUPK-ZWKOTPCHSA-N 1 3 335.517 2.669 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001161755043 1311965758 /nfs/dbraw/zinc/96/57/58/1311965758.db2.gz ILQGSHQUNGHLGX-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO CCCN(C)CC(=O)NCCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001161755043 1311965760 /nfs/dbraw/zinc/96/57/60/1311965760.db2.gz ILQGSHQUNGHLGX-UHFFFAOYSA-N 1 3 343.515 2.709 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F)N(C)C ZINC001228647239 1311975333 /nfs/dbraw/zinc/97/53/33/1311975333.db2.gz PKAIYRJQHWUWCP-KURKYZTESA-N 1 3 335.467 2.683 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C)N(C)C ZINC001228660794 1311976752 /nfs/dbraw/zinc/97/67/52/1311976752.db2.gz JRYDOVUILFESNF-QRVBRYPASA-N 1 3 349.494 2.991 20 0 EFADHO CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001228661254 1311977195 /nfs/dbraw/zinc/97/71/95/1311977195.db2.gz PLPVSDHXPIFGFR-KURKYZTESA-N 1 3 335.536 2.924 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161874644 1311992704 /nfs/dbraw/zinc/99/27/04/1311992704.db2.gz HWPBPRAHORDTFR-SFHVURJKSA-N 1 3 341.499 2.982 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161874644 1311992706 /nfs/dbraw/zinc/99/27/06/1311992706.db2.gz HWPBPRAHORDTFR-SFHVURJKSA-N 1 3 341.499 2.982 20 0 EFADHO Cc1ccccc1C[N@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161878756 1311993116 /nfs/dbraw/zinc/99/31/16/1311993116.db2.gz AIABLBJRNMFDIK-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC=C(CCNC(=O)CN2CCCC2)CC1 ZINC001161878756 1311993119 /nfs/dbraw/zinc/99/31/19/1311993119.db2.gz AIABLBJRNMFDIK-UHFFFAOYSA-N 1 3 341.499 2.729 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228889055 1312015615 /nfs/dbraw/zinc/01/56/15/1312015615.db2.gz QOYYYEOCFXOGCH-UHFFFAOYSA-N 1 3 347.478 2.557 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCN(Cc2ccc(C3CC3)cc2)CC1 ZINC001228904396 1312017794 /nfs/dbraw/zinc/01/77/94/1312017794.db2.gz COFSCNLRHSAUBK-UHFFFAOYSA-N 1 3 343.515 2.986 20 0 EFADHO CCCCCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)OC ZINC001229180471 1312058064 /nfs/dbraw/zinc/05/80/64/1312058064.db2.gz JGKPIHOFJBMEIV-KZNAEPCWSA-N 1 3 341.540 2.550 20 0 EFADHO CCCCC[NH+]1CCC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001229193637 1312060086 /nfs/dbraw/zinc/06/00/86/1312060086.db2.gz NESYTSMMVGJHAY-LJQANCHMSA-N 1 3 341.515 2.970 20 0 EFADHO CN(C)CCC(=O)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1 ZINC001229305448 1312074991 /nfs/dbraw/zinc/07/49/91/1312074991.db2.gz YDPRCWHZFNRBNR-XEMDLRDOSA-N 1 3 330.472 2.930 20 0 EFADHO CN(C)CCC(=O)c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001229305448 1312074996 /nfs/dbraw/zinc/07/49/96/1312074996.db2.gz YDPRCWHZFNRBNR-XEMDLRDOSA-N 1 3 330.472 2.930 20 0 EFADHO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000902757120 1312081861 /nfs/dbraw/zinc/08/18/61/1312081861.db2.gz OKTXCBUMEQKWJH-SFTDATJTSA-N 1 3 345.531 2.871 20 0 EFADHO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(CN)ccc1NC(=O)C(C)(C)C ZINC001162461084 1312107939 /nfs/dbraw/zinc/10/79/39/1312107939.db2.gz MYZMRBJPZRIBGZ-UONOGXRCSA-N 1 3 347.507 2.573 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001162464883 1312108704 /nfs/dbraw/zinc/10/87/04/1312108704.db2.gz AAJPRDKXIFVSSJ-GPMSIDNRSA-N 1 3 342.487 2.648 20 0 EFADHO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc2cc([C@H]3CNCCO3)cn21 ZINC001162464884 1312109006 /nfs/dbraw/zinc/10/90/06/1312109006.db2.gz AAJPRDKXIFVSSJ-JTDSTZFVSA-N 1 3 342.487 2.648 20 0 EFADHO C[C@@H](NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800995 1312118458 /nfs/dbraw/zinc/11/84/58/1312118458.db2.gz YMLBJHJZIDZTGR-UKRRQHHQSA-N 1 3 345.409 2.988 20 0 EFADHO C[C@@H](NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C(F)(F)F)cn1 ZINC000902800995 1312118460 /nfs/dbraw/zinc/11/84/60/1312118460.db2.gz YMLBJHJZIDZTGR-UKRRQHHQSA-N 1 3 345.409 2.988 20 0 EFADHO Cn1ncc2c1cccc2CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001162590470 1312131135 /nfs/dbraw/zinc/13/11/35/1312131135.db2.gz IJZCPZOARXMQPP-UHFFFAOYSA-N 1 3 336.443 2.508 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC001229860045 1312150544 /nfs/dbraw/zinc/15/05/44/1312150544.db2.gz KRVJLYVKBBIJBK-RTBURBONSA-N 1 3 347.503 2.554 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC001229859700 1312150638 /nfs/dbraw/zinc/15/06/38/1312150638.db2.gz BWAVBLWJIKLXLZ-WOJBJXKFSA-N 1 3 345.531 2.896 20 0 EFADHO CC(C)N1CCN(Cc2ccc(N[C@@H]3CC[NH2+][C@@H]3C)c(F)c2)CC1 ZINC001162680589 1312150663 /nfs/dbraw/zinc/15/06/63/1312150663.db2.gz MIEJWVVHAXUXAQ-CRAIPNDOSA-N 1 3 334.483 2.514 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC001229860030 1312150892 /nfs/dbraw/zinc/15/08/92/1312150892.db2.gz KGJMCKHFGWOVDD-RTBURBONSA-N 1 3 331.504 2.854 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497126 1312152607 /nfs/dbraw/zinc/15/26/07/1312152607.db2.gz AQLXLZIQIDUHNE-HKUYNNGSSA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)(C(=O)N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1)N1CCCC1 ZINC001015497126 1312152610 /nfs/dbraw/zinc/15/26/10/1312152610.db2.gz AQLXLZIQIDUHNE-HKUYNNGSSA-N 1 3 341.499 2.739 20 0 EFADHO CC[N@H+](C)CCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001229895296 1312155688 /nfs/dbraw/zinc/15/56/88/1312155688.db2.gz JLDDKDPOKWXAHM-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC1CCN(CCCCC(F)(F)F)CC1 ZINC001229895296 1312155690 /nfs/dbraw/zinc/15/56/90/1312155690.db2.gz JLDDKDPOKWXAHM-UHFFFAOYSA-N 1 3 337.430 2.641 20 0 EFADHO Cc1cc(F)ccc1CN1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001230090495 1312185174 /nfs/dbraw/zinc/18/51/74/1312185174.db2.gz MOEVSYHELMMLKN-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CN(CC(=O)N(CC[NH2+]CC1CC1)CCc1ccccc1)C1CCC1 ZINC001162832370 1312186188 /nfs/dbraw/zinc/18/61/88/1312186188.db2.gz PUWPJXNIENZLJO-UHFFFAOYSA-N 1 3 343.515 2.542 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H](C1CC1)N(C)C ZINC001162832264 1312186543 /nfs/dbraw/zinc/18/65/43/1312186543.db2.gz MTRWNLZKXRJBGD-HXUWFJFHSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC001230101358 1312186572 /nfs/dbraw/zinc/18/65/72/1312186572.db2.gz JSLICIBPJWBGKB-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)[NH2+]CCN(CCc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001162832404 1312186686 /nfs/dbraw/zinc/18/66/86/1312186686.db2.gz RMEOBUMLFZAAOZ-UHFFFAOYSA-N 1 3 331.504 2.540 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+](CCCc2ccccc2)CC1 ZINC001230105343 1312187338 /nfs/dbraw/zinc/18/73/38/1312187338.db2.gz KGIPIKOGJMBQSN-UHFFFAOYSA-N 1 3 331.504 2.542 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001230115171 1312189151 /nfs/dbraw/zinc/18/91/51/1312189151.db2.gz BREGBQUYMFIXHJ-INIZCTEOSA-N 1 3 347.503 2.679 20 0 EFADHO CCCN(C)CC(=O)NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC001230115307 1312189421 /nfs/dbraw/zinc/18/94/21/1312189421.db2.gz MYDJERDSNYNVMD-HXUWFJFHSA-N 1 3 343.515 2.986 20 0 EFADHO [NH3+][C@H]1Cc2ccccc2N(c2cccc3cc([C@H]4CNCCO4)cn32)C1 ZINC001162854400 1312190930 /nfs/dbraw/zinc/19/09/30/1312190930.db2.gz SUFFSWMSPVNPIR-FXAWDEMLSA-N 1 3 348.450 2.622 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596548 1312203801 /nfs/dbraw/zinc/20/38/01/1312203801.db2.gz DJGBKGSFHLWPKB-OALUTQOASA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596548 1312203803 /nfs/dbraw/zinc/20/38/03/1312203803.db2.gz DJGBKGSFHLWPKB-OALUTQOASA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596550 1312204476 /nfs/dbraw/zinc/20/44/76/1312204476.db2.gz DJGBKGSFHLWPKB-RTBURBONSA-N 1 3 333.520 2.799 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)C1 ZINC001015596550 1312204479 /nfs/dbraw/zinc/20/44/79/1312204479.db2.gz DJGBKGSFHLWPKB-RTBURBONSA-N 1 3 333.520 2.799 20 0 EFADHO CC(C)C[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001162928055 1312205712 /nfs/dbraw/zinc/20/57/12/1312205712.db2.gz CFMKHXWRQUBQPY-IBGZPJMESA-N 1 3 345.531 2.645 20 0 EFADHO CCCC[NH2+]CCN(CCc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001162929262 1312206181 /nfs/dbraw/zinc/20/61/81/1312206181.db2.gz UUSKOPMDLFQWBY-IBGZPJMESA-N 1 3 345.531 2.789 20 0 EFADHO O=C(N[C@@H]1CC[N@H+](CC2CCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603575 1312208970 /nfs/dbraw/zinc/20/89/70/1312208970.db2.gz VNTOBHMHHOQQDU-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO O=C(N[C@@H]1CC[N@@H+](CC2CCC2)C1)[C@@H]1CCCCN1C1CCCC1 ZINC001015603575 1312208975 /nfs/dbraw/zinc/20/89/75/1312208975.db2.gz VNTOBHMHHOQQDU-MJGOQNOKSA-N 1 3 333.520 2.774 20 0 EFADHO CC(C)N(C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1F ZINC001230280477 1312214679 /nfs/dbraw/zinc/21/46/79/1312214679.db2.gz YSXDPCNNPGKAMU-QZTJIDSGSA-N 1 3 335.467 2.683 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1)N(C)C ZINC001048888264 1312226888 /nfs/dbraw/zinc/22/68/88/1312226888.db2.gz MJFKJHUHBHLAFX-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@@H]2C1)N(C)C ZINC001048888264 1312226893 /nfs/dbraw/zinc/22/68/93/1312226893.db2.gz MJFKJHUHBHLAFX-CEXWTWQISA-N 1 3 347.547 2.687 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1)N(C)C ZINC001048888560 1312227678 /nfs/dbraw/zinc/22/76/78/1312227678.db2.gz RCJAWUFUMFIPGL-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)cc(C)c3)C[C@@H]2C1)N(C)C ZINC001048888560 1312227680 /nfs/dbraw/zinc/22/76/80/1312227680.db2.gz RCJAWUFUMFIPGL-HSALFYBXSA-N 1 3 343.515 2.534 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1)N(C)C ZINC001048888758 1312227768 /nfs/dbraw/zinc/22/77/68/1312227768.db2.gz XGBGKRWZAVLKDV-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3Cl)C[C@@H]2C1)N(C)C ZINC001048888758 1312227770 /nfs/dbraw/zinc/22/77/70/1312227770.db2.gz XGBGKRWZAVLKDV-SOLBZPMBSA-N 1 3 349.906 2.570 20 0 EFADHO CCc1ccc(CC[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)cc1 ZINC001230366861 1312230088 /nfs/dbraw/zinc/23/00/88/1312230088.db2.gz LOLRHFLBDMRINB-UHFFFAOYSA-N 1 3 345.531 2.712 20 0 EFADHO Cc1ccc(C)c(C[NH+]2CCC(NC(=O)CN(C)C(C)C)CC2)c1 ZINC001230366829 1312230131 /nfs/dbraw/zinc/23/01/31/1312230131.db2.gz JYEIZBDZFUWLRW-UHFFFAOYSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)NC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC001230366723 1312230178 /nfs/dbraw/zinc/23/01/78/1312230178.db2.gz FDRYFTOHDADOBG-HXUWFJFHSA-N 1 3 343.515 2.985 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1nc(C)nc2sc(C)c(C)c21 ZINC001163125571 1312245862 /nfs/dbraw/zinc/24/58/62/1312245862.db2.gz FPQCJTLELZOCMZ-UHFFFAOYSA-N 1 3 334.493 2.895 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1cc(C)c2cc(OC)ccc2n1 ZINC001163126669 1312246015 /nfs/dbraw/zinc/24/60/15/1312246015.db2.gz UTKYHWUNDDAJGL-UHFFFAOYSA-N 1 3 329.448 2.830 20 0 EFADHO CC[C@@H](C)c1nc2[nH]ccc2c(NC(=[NH2+])NCCN(CC)CC)n1 ZINC001163130182 1312247337 /nfs/dbraw/zinc/24/73/37/1312247337.db2.gz ZLMXLWXGCANVND-GFCCVEGCSA-N 1 3 331.468 2.749 20 0 EFADHO CCN(CC)CCNC(=[NH2+])Nc1ccc2c(cc(OC)cc2OC)n1 ZINC001163130092 1312247604 /nfs/dbraw/zinc/24/76/04/1312247604.db2.gz USPVUQFBORWDCQ-UHFFFAOYSA-N 1 3 345.447 2.530 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3C3CC3)C2)CC1 ZINC001015654555 1312250555 /nfs/dbraw/zinc/25/05/55/1312250555.db2.gz ZIORWOGGDUYZII-LJQANCHMSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cccc([C@@H](C)N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001015654836 1312250946 /nfs/dbraw/zinc/25/09/46/1312250946.db2.gz GDIBZJJAMTXCBB-APWZRJJASA-N 1 3 329.488 2.588 20 0 EFADHO c1cc(CN2CCCCC2)cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163277400 1312280646 /nfs/dbraw/zinc/28/06/46/1312280646.db2.gz FSDMWVVVBJNODG-AZUAARDMSA-N 1 3 344.503 2.638 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001230611538 1312283065 /nfs/dbraw/zinc/28/30/65/1312283065.db2.gz UOHQEYSZGZSJQD-SJLPKXTDSA-N 1 3 341.515 2.779 20 0 EFADHO CCN(CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001230611538 1312283068 /nfs/dbraw/zinc/28/30/68/1312283068.db2.gz UOHQEYSZGZSJQD-SJLPKXTDSA-N 1 3 341.515 2.779 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001230617595 1312285163 /nfs/dbraw/zinc/28/51/63/1312285163.db2.gz DBOOYPSZLKEBLB-OOYWPUHTSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001230617595 1312285167 /nfs/dbraw/zinc/28/51/67/1312285167.db2.gz DBOOYPSZLKEBLB-OOYWPUHTSA-N 1 3 341.927 2.784 20 0 EFADHO COc1cccc([C@@H](C[NH3+])Nc2cc(Cl)nc3c2CCNC3)c1 ZINC001163309635 1312286488 /nfs/dbraw/zinc/28/64/88/1312286488.db2.gz NRVQDUPHOHCFKT-OAHLLOKOSA-N 1 3 332.835 2.501 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC[C@H](C)F)CC1 ZINC001230629236 1312289623 /nfs/dbraw/zinc/28/96/23/1312289623.db2.gz MPRRQEOPCAHDCA-FUHWJXTLSA-N 1 3 341.515 2.778 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001230629236 1312289627 /nfs/dbraw/zinc/28/96/27/1312289627.db2.gz MPRRQEOPCAHDCA-FUHWJXTLSA-N 1 3 341.515 2.778 20 0 EFADHO C(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)Cc1nnc2n1CCCCC2 ZINC000903087612 1312341360 /nfs/dbraw/zinc/34/13/60/1312341360.db2.gz FAGGWZIVBVOBCS-ZNXRZULTSA-N 1 3 343.519 2.685 20 0 EFADHO C(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)Cc1nnc2n1CCCCC2 ZINC000903087612 1312341364 /nfs/dbraw/zinc/34/13/64/1312341364.db2.gz FAGGWZIVBVOBCS-ZNXRZULTSA-N 1 3 343.519 2.685 20 0 EFADHO CCCC[N@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783826 1312342589 /nfs/dbraw/zinc/34/25/89/1312342589.db2.gz RTVVRSJCPKXOGH-GOSISDBHSA-N 1 3 334.508 2.530 20 0 EFADHO CCCC[N@@H+](CCCNC(=O)[C@@H](CC)N(C)C)Cc1cccnc1 ZINC001230783826 1312342593 /nfs/dbraw/zinc/34/25/93/1312342593.db2.gz RTVVRSJCPKXOGH-GOSISDBHSA-N 1 3 334.508 2.530 20 0 EFADHO CCC[N@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230789531 1312343852 /nfs/dbraw/zinc/34/38/52/1312343852.db2.gz FYAIOZDOPVKUKB-UHFFFAOYSA-N 1 3 334.508 2.530 20 0 EFADHO CCC[N@@H+](CCCNC(=O)C(C)(C)N(C)CC)Cc1cccnc1 ZINC001230789531 1312343855 /nfs/dbraw/zinc/34/38/55/1312343855.db2.gz FYAIOZDOPVKUKB-UHFFFAOYSA-N 1 3 334.508 2.530 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCCN(CC)Cc2cccnc2)C1 ZINC001230824782 1312360221 /nfs/dbraw/zinc/36/02/21/1312360221.db2.gz PNDZNRORTUIARB-LJQANCHMSA-N 1 3 346.519 2.532 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCCN(CC)Cc2cccnc2)C1 ZINC001230824782 1312360225 /nfs/dbraw/zinc/36/02/25/1312360225.db2.gz PNDZNRORTUIARB-LJQANCHMSA-N 1 3 346.519 2.532 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001015792410 1312361600 /nfs/dbraw/zinc/36/16/00/1312361600.db2.gz WTOVEALHVAUPOV-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001015792410 1312361604 /nfs/dbraw/zinc/36/16/04/1312361604.db2.gz WTOVEALHVAUPOV-UXHICEINSA-N 1 3 343.515 2.683 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795500 1312365808 /nfs/dbraw/zinc/36/58/08/1312365808.db2.gz RBPWKBIFYBWEKG-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCCCCC1 ZINC001015795500 1312365814 /nfs/dbraw/zinc/36/58/14/1312365814.db2.gz RBPWKBIFYBWEKG-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO C[C@@H](C(=O)N[C@@H]1CCN(CCc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001015795500 1312365817 /nfs/dbraw/zinc/36/58/17/1312365817.db2.gz RBPWKBIFYBWEKG-AZUAARDMSA-N 1 3 343.515 2.684 20 0 EFADHO CCC[N@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846426 1312369244 /nfs/dbraw/zinc/36/92/44/1312369244.db2.gz JBAPFAHROOSALG-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCC[N@@H+](CCCNC(=O)CN1CCC(C)(C)C1)Cc1cccnc1 ZINC001230846426 1312369247 /nfs/dbraw/zinc/36/92/47/1312369247.db2.gz JBAPFAHROOSALG-UHFFFAOYSA-N 1 3 346.519 2.532 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@H+](CCC(C)C)Cc1cccnc1 ZINC001230871687 1312375153 /nfs/dbraw/zinc/37/51/53/1312375153.db2.gz OMUFMTXOLQHSHP-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CCN(CC)CC(=O)NCCC[N@@H+](CCC(C)C)Cc1cccnc1 ZINC001230871687 1312375157 /nfs/dbraw/zinc/37/51/57/1312375157.db2.gz OMUFMTXOLQHSHP-UHFFFAOYSA-N 1 3 348.535 2.778 20 0 EFADHO CCCCC[N@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230907038 1312387283 /nfs/dbraw/zinc/38/72/83/1312387283.db2.gz ZOOYICHLBQELMF-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CCCCC[N@@H+](CCCNC(=O)CN(C)CCC)Cc1cccnc1 ZINC001230907038 1312387285 /nfs/dbraw/zinc/38/72/85/1312387285.db2.gz ZOOYICHLBQELMF-UHFFFAOYSA-N 1 3 348.535 2.922 20 0 EFADHO CCN(CCCNC(=O)CCCC[NH+]1CCCC1)Cc1cccnc1 ZINC001230940334 1312397255 /nfs/dbraw/zinc/39/72/55/1312397255.db2.gz QWHWYZLGTBMESZ-UHFFFAOYSA-N 1 3 346.519 2.676 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2C1)N(C)C ZINC001049064472 1312417302 /nfs/dbraw/zinc/41/73/02/1312417302.db2.gz GSVBRINVHVEVTK-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1)N(C)C ZINC001049064472 1312417305 /nfs/dbraw/zinc/41/73/05/1312417305.db2.gz GSVBRINVHVEVTK-JZXOWHBKSA-N 1 3 349.906 2.570 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049064607 1312417991 /nfs/dbraw/zinc/41/79/91/1312417991.db2.gz IHPCWHLXMQSNPW-OTWHNJEPSA-N 1 3 333.520 2.607 20 0 EFADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2C1)N(C)C ZINC001049064607 1312417994 /nfs/dbraw/zinc/41/79/94/1312417994.db2.gz IHPCWHLXMQSNPW-OTWHNJEPSA-N 1 3 333.520 2.607 20 0 EFADHO COc1ccc([C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903184157 1312440932 /nfs/dbraw/zinc/44/09/32/1312440932.db2.gz ARJZJDNYRZPLQT-VBZNHOPUSA-N 1 3 330.472 2.519 20 0 EFADHO COc1ccc([C@@H](CO)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903184157 1312440936 /nfs/dbraw/zinc/44/09/36/1312440936.db2.gz ARJZJDNYRZPLQT-VBZNHOPUSA-N 1 3 330.472 2.519 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(CC3=CCCCC3)C2)CC1 ZINC001015930722 1312454767 /nfs/dbraw/zinc/45/47/67/1312454767.db2.gz UNAANZJMRZVCMR-LJQANCHMSA-N 1 3 333.520 2.798 20 0 EFADHO CN(C)C1(CNc2ccc(C(=O)NC(C)(C)C)cc2)CC[NH+](C)CC1 ZINC001164210731 1312468617 /nfs/dbraw/zinc/46/86/17/1312468617.db2.gz HPQBUEFJRLAOMH-UHFFFAOYSA-N 1 3 346.519 2.653 20 0 EFADHO FC(F)(F)c1ccn(CCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)n1 ZINC000903217262 1312471068 /nfs/dbraw/zinc/47/10/68/1312471068.db2.gz SKBAERVXCJDAGF-QXMXGUDHSA-N 1 3 328.382 2.649 20 0 EFADHO FC(F)(F)c1ccn(CCNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903217262 1312471071 /nfs/dbraw/zinc/47/10/71/1312471071.db2.gz SKBAERVXCJDAGF-QXMXGUDHSA-N 1 3 328.382 2.649 20 0 EFADHO FC(F)(F)CN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903224310 1312477801 /nfs/dbraw/zinc/47/78/01/1312477801.db2.gz UHDKFNNOQJCKOX-WDVRLDOZSA-N 1 3 331.426 2.761 20 0 EFADHO FC(F)(F)CN1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903224310 1312477802 /nfs/dbraw/zinc/47/78/02/1312477802.db2.gz UHDKFNNOQJCKOX-WDVRLDOZSA-N 1 3 331.426 2.761 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016004017 1312506171 /nfs/dbraw/zinc/50/61/71/1312506171.db2.gz TWQYDOOAWOZKIS-GOSISDBHSA-N 1 3 341.499 2.596 20 0 EFADHO CC(C)(C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1)N1CCCCC1 ZINC001164535872 1312535118 /nfs/dbraw/zinc/53/51/18/1312535118.db2.gz AGHPBQFFDMKNBN-UXBLZVDNSA-N 1 3 341.927 2.880 20 0 EFADHO C[NH+]1CCC(C2CCN(c3cc(Cl)nc4c3CCNC4)CC2)CC1 ZINC001165067020 1312562047 /nfs/dbraw/zinc/56/20/47/1312562047.db2.gz LZIMVVGKOGAJLL-UHFFFAOYSA-N 1 3 348.922 2.939 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165080861 1312563896 /nfs/dbraw/zinc/56/38/96/1312563896.db2.gz CMYQEANQQGMYJG-WOJBJXKFSA-N 1 3 336.483 2.854 20 0 EFADHO CN(C)Cc1ccnc(N2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001165080861 1312563899 /nfs/dbraw/zinc/56/38/99/1312563899.db2.gz CMYQEANQQGMYJG-WOJBJXKFSA-N 1 3 336.483 2.854 20 0 EFADHO CC[C@H](CN1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000903343491 1312583477 /nfs/dbraw/zinc/58/34/77/1312583477.db2.gz QPUSATYXLNFNGX-QWFCFKBJSA-N 1 3 337.552 2.730 20 0 EFADHO CN(C)Cc1ccnc(N(Cc2cccnc2)C2CCC([NH3+])CC2)c1 ZINC001165197402 1312583822 /nfs/dbraw/zinc/58/38/22/1312583822.db2.gz MPJDMKRFBPDVTJ-UHFFFAOYSA-N 1 3 339.487 2.815 20 0 EFADHO C[C@@H]1CN(c2ccc3c(n2)CC[NH2+]C3)[C@@H](C)CN1Cc1ccccc1 ZINC001165202057 1312585166 /nfs/dbraw/zinc/58/51/66/1312585166.db2.gz RMGGNARPKHVCJX-SJORKVTESA-N 1 3 336.483 2.827 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231973 1312606967 /nfs/dbraw/zinc/60/69/67/1312606967.db2.gz QALWVAIFOVRHFC-USTZCAOPSA-N 1 3 335.536 2.686 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049231973 1312606972 /nfs/dbraw/zinc/60/69/72/1312606972.db2.gz QALWVAIFOVRHFC-USTZCAOPSA-N 1 3 335.536 2.686 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049232930 1312607759 /nfs/dbraw/zinc/60/77/59/1312607759.db2.gz FKHQGWCBRQJJDO-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001049232930 1312607762 /nfs/dbraw/zinc/60/77/62/1312607762.db2.gz FKHQGWCBRQJJDO-KSZLIROESA-N 1 3 335.536 2.687 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]Cc3ccccc3F)CC2)CCC1 ZINC001165465218 1312633954 /nfs/dbraw/zinc/63/39/54/1312633954.db2.gz XYCBOXRYBGSNOZ-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO CN(C)C1(C(=O)NCCC2(C[NH2+]Cc3cccc(F)c3)CC2)CCC1 ZINC001165464888 1312633957 /nfs/dbraw/zinc/63/39/57/1312633957.db2.gz OTTQKIAFRKJZBI-UHFFFAOYSA-N 1 3 347.478 2.686 20 0 EFADHO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC001232146831 1312634608 /nfs/dbraw/zinc/63/46/08/1312634608.db2.gz IENPPVVPWKABKG-GOSISDBHSA-N 1 3 347.478 2.722 20 0 EFADHO CN(CC(=O)NCCC1(C[NH2+]Cc2ccsc2)CC1)C1CCC1 ZINC001165502168 1312639306 /nfs/dbraw/zinc/63/93/06/1312639306.db2.gz WPVNZYVZOLYPJW-UHFFFAOYSA-N 1 3 335.517 2.609 20 0 EFADHO Cn1cc(CN2CCC(COCC[NH+]3CCCC3)CC2)c(C2CC2)n1 ZINC001232166973 1312639382 /nfs/dbraw/zinc/63/93/82/1312639382.db2.gz BIAFMSGQOMCGPG-UHFFFAOYSA-N 1 3 346.519 2.622 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865428 1314432181 /nfs/dbraw/zinc/43/21/81/1314432181.db2.gz OFRDETKQHPBVIA-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC001052865428 1314432182 /nfs/dbraw/zinc/43/21/82/1314432182.db2.gz OFRDETKQHPBVIA-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001052898440 1314460076 /nfs/dbraw/zinc/46/00/76/1314460076.db2.gz ANRCADGCHFMVHT-QGZVFWFLSA-N 1 3 344.503 2.812 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001052898440 1314460078 /nfs/dbraw/zinc/46/00/78/1314460078.db2.gz ANRCADGCHFMVHT-QGZVFWFLSA-N 1 3 344.503 2.812 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@H]([NH2+]C/C=C/Cl)C2)c1 ZINC001211233249 1314461165 /nfs/dbraw/zinc/46/11/65/1314461165.db2.gz ABVHEQWIELAVHU-MPNRVQBSSA-N 1 3 335.879 2.695 20 0 EFADHO C[C@H](F)CC[NH2+][C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241983 1314462567 /nfs/dbraw/zinc/46/25/67/1314462567.db2.gz XQJMFRXEBKGRRV-YJBOKZPZSA-N 1 3 335.467 2.691 20 0 EFADHO C[C@@H](F)CC[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001211241978 1314462618 /nfs/dbraw/zinc/46/26/18/1314462618.db2.gz XQJMFRXEBKGRRV-CRAIPNDOSA-N 1 3 335.467 2.691 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N1CCC[C@H](NCC=C(Cl)Cl)C1 ZINC001211247845 1314463140 /nfs/dbraw/zinc/46/31/40/1314463140.db2.gz ARIHBHUFIARUIH-AWEZNQCLSA-N 1 3 348.318 2.762 20 0 EFADHO CC(C)CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001211249346 1314463643 /nfs/dbraw/zinc/46/36/43/1314463643.db2.gz LTIBXHOJZPZTJX-SFHVURJKSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001211269169 1314466885 /nfs/dbraw/zinc/46/68/85/1314466885.db2.gz NHZGPWJUUPMVSH-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211268904 1314467111 /nfs/dbraw/zinc/46/71/11/1314467111.db2.gz LSHJPONCCUXKSK-ZWKOTPCHSA-N 1 3 331.504 2.977 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001211278693 1314468064 /nfs/dbraw/zinc/46/80/64/1314468064.db2.gz UGMXWOSDKDILMX-IBGZPJMESA-N 1 3 349.494 2.679 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001211276835 1314468175 /nfs/dbraw/zinc/46/81/75/1314468175.db2.gz JCPIKNJDCYXEST-CVEARBPZSA-N 1 3 345.478 2.733 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001211278699 1314468328 /nfs/dbraw/zinc/46/83/28/1314468328.db2.gz UGMXWOSDKDILMX-LJQANCHMSA-N 1 3 349.494 2.679 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001211276841 1314468353 /nfs/dbraw/zinc/46/83/53/1314468353.db2.gz JFOXILOXLKIGJF-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC001211284880 1314469807 /nfs/dbraw/zinc/46/98/07/1314469807.db2.gz OIQIWFCSUNLXJD-PKOBYXMFSA-N 1 3 347.478 2.734 20 0 EFADHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019820598 1314515897 /nfs/dbraw/zinc/51/58/97/1314515897.db2.gz QFLFQHNTGKGQML-WMZOPIPTSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019820598 1314515900 /nfs/dbraw/zinc/51/59/00/1314515900.db2.gz QFLFQHNTGKGQML-WMZOPIPTSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019820597 1314516342 /nfs/dbraw/zinc/51/63/42/1314516342.db2.gz QFLFQHNTGKGQML-FUHWJXTLSA-N 1 3 349.906 2.905 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001019820597 1314516344 /nfs/dbraw/zinc/51/63/44/1314516344.db2.gz QFLFQHNTGKGQML-FUHWJXTLSA-N 1 3 349.906 2.905 20 0 EFADHO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC(C)C)CC2)CC1 ZINC001052990687 1314546693 /nfs/dbraw/zinc/54/66/93/1314546693.db2.gz LFXWCUYAGRZOBZ-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC(C)C)CC2)CC1 ZINC001052990687 1314546696 /nfs/dbraw/zinc/54/66/96/1314546696.db2.gz LFXWCUYAGRZOBZ-KDURUIRLSA-N 1 3 347.547 2.972 20 0 EFADHO CC[C@@H]1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CC)CC1 ZINC001052990417 1314546845 /nfs/dbraw/zinc/54/68/45/1314546845.db2.gz CIVPNSRRDCDVGQ-LMCOJAPRSA-N 1 3 347.547 2.972 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001245980557 1314558625 /nfs/dbraw/zinc/55/86/25/1314558625.db2.gz BUTIQWDEHJLFHT-IEWDOMPSSA-N 1 3 326.525 2.558 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)CN[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001245982911 1314558855 /nfs/dbraw/zinc/55/88/55/1314558855.db2.gz KFYVIRASIGOPHM-LCLWPZTBSA-N 1 3 332.488 2.527 20 0 EFADHO CC(C)(C)c1ccc(OC[C@H](O)CNC[C@@H]2CCCC[NH2+]C2)cc1 ZINC001245982070 1314559071 /nfs/dbraw/zinc/55/90/71/1314559071.db2.gz JUELXRXYOYRUNP-SJLPKXTDSA-N 1 3 334.504 2.703 20 0 EFADHO O[C@@]1(C[NH2+]CCc2cccc(Oc3ccccc3)c2)CCCNC1 ZINC001245982981 1314559211 /nfs/dbraw/zinc/55/92/11/1314559211.db2.gz IAKPSVWVJODASC-FQEVSTJZSA-N 1 3 326.440 2.726 20 0 EFADHO O[C@@]1(CNCCc2cccc(Oc3ccccc3)c2)CCC[NH2+]C1 ZINC001245982981 1314559215 /nfs/dbraw/zinc/55/92/15/1314559215.db2.gz IAKPSVWVJODASC-FQEVSTJZSA-N 1 3 326.440 2.726 20 0 EFADHO C[C@@H]1[NH2+]CCC[C@@H]1CNC[C@@H](O)COc1cccc2ccccc21 ZINC001245983295 1314559334 /nfs/dbraw/zinc/55/93/34/1314559334.db2.gz OCOGDGWQFPBHKF-CGTJXYLNSA-N 1 3 328.456 2.557 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001245988275 1314560800 /nfs/dbraw/zinc/56/08/00/1314560800.db2.gz OLEPKFRZPSXHOU-RBUKOAKNSA-N 1 3 334.410 2.602 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1ccccc1C1CC1 ZINC001245988905 1314560939 /nfs/dbraw/zinc/56/09/39/1314560939.db2.gz QJRXMKLEPCCCIZ-VQTJNVASSA-N 1 3 346.421 2.863 20 0 EFADHO C[C@@H]1C[NH2+]C[C@@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001245993102 1314561774 /nfs/dbraw/zinc/56/17/74/1314561774.db2.gz MXOZEKZBIZOQNE-BQFCYCMXSA-N 1 3 334.504 2.559 20 0 EFADHO O[C@@]1(CNCC2(Cc3ccccc3C(F)(F)F)CCC2)CC[NH2+]C1 ZINC001245998743 1314562107 /nfs/dbraw/zinc/56/21/07/1314562107.db2.gz HYUJKFTXPHDIRA-KRWDZBQOSA-N 1 3 342.405 2.732 20 0 EFADHO N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC001245998074 1314562613 /nfs/dbraw/zinc/56/26/13/1314562613.db2.gz CWRGVOFVVBBWTP-RBUKOAKNSA-N 1 3 346.421 2.865 20 0 EFADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CCc2ccc(Cl)cc2C1 ZINC001246000599 1314563475 /nfs/dbraw/zinc/56/34/75/1314563475.db2.gz LMWZSZUKODYTSE-HSALFYBXSA-N 1 3 344.886 2.718 20 0 EFADHO [NH3+][C@H]1CCCN(C[C@@H](O)COCc2c(Cl)cccc2Cl)CC1 ZINC001246014446 1314565695 /nfs/dbraw/zinc/56/56/95/1314565695.db2.gz BQMYUBWIWQSVDP-QWHCGFSZSA-N 1 3 347.286 2.684 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001246013077 1314566046 /nfs/dbraw/zinc/56/60/46/1314566046.db2.gz BSIFQKPGENWXOP-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H](O)[C@@H](N)Cc2cc(F)cc(F)c2)c1 ZINC001246013077 1314566049 /nfs/dbraw/zinc/56/60/49/1314566049.db2.gz BSIFQKPGENWXOP-RBUKOAKNSA-N 1 3 334.410 2.636 20 0 EFADHO C[C@@]1([NH3+])CCCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001246025411 1314569173 /nfs/dbraw/zinc/56/91/73/1314569173.db2.gz YEJHDZTXALFSNO-FXAWDEMLSA-N 1 3 328.456 2.783 20 0 EFADHO O[C@@H](COCc1ccccc1)CN1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001246027767 1314569574 /nfs/dbraw/zinc/56/95/74/1314569574.db2.gz JAAFTACWOIXLMY-RTWAWAEBSA-N 1 3 346.515 2.810 20 0 EFADHO [NH3+]C[C@@H]1CCCCN(C[C@H](O)COc2cccc3ccccc32)C1 ZINC001246034144 1314570624 /nfs/dbraw/zinc/57/06/24/1314570624.db2.gz MUVBLHCTQVFXNJ-WMZOPIPTSA-N 1 3 328.456 2.640 20 0 EFADHO O[C@]1(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246044626 1314571794 /nfs/dbraw/zinc/57/17/94/1314571794.db2.gz HKBMJWBCJSDEDQ-GOEBONIOSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(C[N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCCNC1 ZINC001246044626 1314571798 /nfs/dbraw/zinc/57/17/98/1314571798.db2.gz HKBMJWBCJSDEDQ-GOEBONIOSA-N 1 3 328.378 2.609 20 0 EFADHO O[C@]1(CN2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCC[NH2+]C1 ZINC001246044626 1314571801 /nfs/dbraw/zinc/57/18/01/1314571801.db2.gz HKBMJWBCJSDEDQ-GOEBONIOSA-N 1 3 328.378 2.609 20 0 EFADHO C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046089 1314573435 /nfs/dbraw/zinc/57/34/35/1314573435.db2.gz PUOXQTOGYLZKKD-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246046089 1314573437 /nfs/dbraw/zinc/57/34/37/1314573437.db2.gz PUOXQTOGYLZKKD-RBUKOAKNSA-N 1 3 332.875 2.745 20 0 EFADHO O[C@]1(C[N@@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051684 1314574352 /nfs/dbraw/zinc/57/43/52/1314574352.db2.gz HBADGYRVVALRNI-JKSUJKDBSA-N 1 3 328.378 2.957 20 0 EFADHO O[C@]1(C[N@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCCNC1 ZINC001246051684 1314574356 /nfs/dbraw/zinc/57/43/56/1314574356.db2.gz HBADGYRVVALRNI-JKSUJKDBSA-N 1 3 328.378 2.957 20 0 EFADHO CCCN(C[C@@H](O)COc1ccc(C(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC001246065886 1314578821 /nfs/dbraw/zinc/57/88/21/1314578821.db2.gz JXJUQHYMEGTJCL-IEBWSBKVSA-N 1 3 334.504 2.871 20 0 EFADHO F[C@@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001246090308 1314581605 /nfs/dbraw/zinc/58/16/05/1314581605.db2.gz FSWZZIQGWRTVHK-IVDHNXQLSA-N 1 3 331.479 2.862 20 0 EFADHO F[C@@H]1CNCC[C@@H]1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001246090308 1314581608 /nfs/dbraw/zinc/58/16/08/1314581608.db2.gz FSWZZIQGWRTVHK-IVDHNXQLSA-N 1 3 331.479 2.862 20 0 EFADHO c1ccc(CC2CCN(CCNC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246091596 1314581665 /nfs/dbraw/zinc/58/16/65/1314581665.db2.gz FGDCAOCNDCWWGB-WCRBZPEASA-N 1 3 327.516 2.814 20 0 EFADHO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCCC[NH2+]C1 ZINC001246095621 1314582584 /nfs/dbraw/zinc/58/25/84/1314582584.db2.gz JDQAMBBMQBCFPR-XJKSGUPXSA-N 1 3 330.394 2.731 20 0 EFADHO C[C@@H]1CC[C@H](CN[C@H]2CCC(=O)N(Cc3ccccc3)CC2)[NH2+]C1 ZINC001246108774 1314584549 /nfs/dbraw/zinc/58/45/49/1314584549.db2.gz WHLXPYLGNOKYAD-NZSAHSFTSA-N 1 3 329.488 2.545 20 0 EFADHO C[NH+](C)CCN1CC2(C1)CCCN(CCc1cccc(Cl)c1)C2 ZINC001276704119 1314586735 /nfs/dbraw/zinc/58/67/35/1314586735.db2.gz ZIRPCEQRIIYARL-UHFFFAOYSA-N 1 3 335.923 2.842 20 0 EFADHO Clc1cccc2c1CC[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246140737 1314588697 /nfs/dbraw/zinc/58/86/97/1314588697.db2.gz BIMSTKZMWDSWNG-IPELMVKDSA-N 1 3 334.891 2.946 20 0 EFADHO Fc1cc2c(cc1F)C[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)CC2 ZINC001246144300 1314589552 /nfs/dbraw/zinc/58/95/52/1314589552.db2.gz KDIRGGWEDFWIEP-LZQZEXGQSA-N 1 3 336.426 2.570 20 0 EFADHO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]C[C@@]13CCCO[C@@H]1CCNC3)C2 ZINC001246152774 1314589755 /nfs/dbraw/zinc/58/97/55/1314589755.db2.gz PUNBDBJQQISNBB-IPELMVKDSA-N 1 3 336.426 2.570 20 0 EFADHO Clc1cc(Cl)c2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3CNC[C@@H]1COC3)C2 ZINC001246149983 1314589770 /nfs/dbraw/zinc/58/97/70/1314589770.db2.gz RIDDRGISDYHOBQ-GMIGKAJZSA-N 1 3 341.282 2.675 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027178 1314596321 /nfs/dbraw/zinc/59/63/21/1314596321.db2.gz AWIKJWCJVMYJBP-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001053027178 1314596324 /nfs/dbraw/zinc/59/63/24/1314596324.db2.gz AWIKJWCJVMYJBP-QZTJIDSGSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@]1(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CCNCC1(F)F ZINC001246223514 1314599473 /nfs/dbraw/zinc/59/94/73/1314599473.db2.gz WIVIQKGVVVCHOI-FGTMMUONSA-N 1 3 337.458 2.574 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029640 1314602757 /nfs/dbraw/zinc/60/27/57/1314602757.db2.gz USIUDGRRISTDHZ-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001053029640 1314602762 /nfs/dbraw/zinc/60/27/62/1314602762.db2.gz USIUDGRRISTDHZ-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC1(C)C[C@H]([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C(C)(C)N1O ZINC001246285302 1314606227 /nfs/dbraw/zinc/60/62/27/1314606227.db2.gz HTOMOPNWOCVWTP-SQNIBIBYSA-N 1 3 331.504 2.960 20 0 EFADHO CCOC(=O)CC1(N[C@H]2CCc3c(C)cccc3C2)CC[NH2+]CC1 ZINC001246328228 1314610560 /nfs/dbraw/zinc/61/05/60/1314610560.db2.gz WCGNKDKGMKHBIJ-KRWDZBQOSA-N 1 3 330.472 2.517 20 0 EFADHO Clc1cc(Cl)c(Cl)c(CN[C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246339807 1314612517 /nfs/dbraw/zinc/61/25/17/1314612517.db2.gz CLYSMSCRPSGJIP-NSHDSACASA-N 1 3 334.678 2.830 20 0 EFADHO COc1cccc(CC2(C[NH2+][C@H]3CCN[C@@H](C)C3)CCOCC2)c1 ZINC001246365084 1314615657 /nfs/dbraw/zinc/61/56/57/1314615657.db2.gz CYLIEJLJEXQKBO-WMZOPIPTSA-N 1 3 332.488 2.765 20 0 EFADHO COc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C)NC3)CC2)cc1F ZINC001246364164 1314615784 /nfs/dbraw/zinc/61/57/84/1314615784.db2.gz TZXSVQXNDRLQMZ-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO COc1ccc(CN2CCC(N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)cc1F ZINC001246364164 1314615789 /nfs/dbraw/zinc/61/57/89/1314615789.db2.gz TZXSVQXNDRLQMZ-PBHICJAKSA-N 1 3 335.467 2.529 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037797 1314617314 /nfs/dbraw/zinc/61/73/14/1314617314.db2.gz ATGFOPRJAHEJGC-MSOLQXFVSA-N 1 3 344.503 2.869 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001053037797 1314617316 /nfs/dbraw/zinc/61/73/16/1314617316.db2.gz ATGFOPRJAHEJGC-MSOLQXFVSA-N 1 3 344.503 2.869 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CCC3)C2)C1 ZINC001053040917 1314621108 /nfs/dbraw/zinc/62/11/08/1314621108.db2.gz WYZQTXRLNXYGQN-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]([C@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001053040917 1314621112 /nfs/dbraw/zinc/62/11/12/1314621112.db2.gz WYZQTXRLNXYGQN-ZWKOTPCHSA-N 1 3 344.503 2.703 20 0 EFADHO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](N3Cc4c(cccc4F)C3=O)CC2)CCN1 ZINC001246392716 1314621875 /nfs/dbraw/zinc/62/18/75/1314621875.db2.gz IJTVMTMOOLUQGI-JONQDZQNSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](N3Cc4c(cccc4F)C3=O)CC2)CCN1 ZINC001246392726 1314622104 /nfs/dbraw/zinc/62/21/04/1314622104.db2.gz IJTVMTMOOLUQGI-VGWMRTNUSA-N 1 3 345.462 2.823 20 0 EFADHO C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ncnc4ccccc43)CC2)CCN1 ZINC001246409501 1314626033 /nfs/dbraw/zinc/62/60/33/1314626033.db2.gz ZWRMRTDXNIZOJQ-NVXWUHKLSA-N 1 3 339.487 2.576 20 0 EFADHO C[C@@H](CC(C)(C)SCc1ccco1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246415789 1314626688 /nfs/dbraw/zinc/62/66/88/1314626688.db2.gz KTQSIFUVALQFRH-ZFWWWQNUSA-N 1 3 341.521 2.643 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046031 1314629854 /nfs/dbraw/zinc/62/98/54/1314629854.db2.gz GXXTYETXUQROAZ-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001053046031 1314629856 /nfs/dbraw/zinc/62/98/56/1314629856.db2.gz GXXTYETXUQROAZ-OALUTQOASA-N 1 3 335.536 2.689 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC([NH2+][C@@H]2CC23CNC3)CC1 ZINC001246448523 1314629997 /nfs/dbraw/zinc/62/99/97/1314629997.db2.gz ZIHQJEBKWFTMIY-KOHRHEQBSA-N 1 3 348.874 2.645 20 0 EFADHO COC(=O)C1(c2ccc(Cl)cc2)CCC(N[C@@H]2CC23C[NH2+]C3)CC1 ZINC001246448523 1314630002 /nfs/dbraw/zinc/63/00/02/1314630002.db2.gz ZIHQJEBKWFTMIY-KOHRHEQBSA-N 1 3 348.874 2.645 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3)CCNCC2)CCN1 ZINC001246457331 1314631457 /nfs/dbraw/zinc/63/14/57/1314631457.db2.gz JIUBSHIZJQWTMH-CVEARBPZSA-N 1 3 341.421 2.624 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@H]3CCc4cc(F)cc(F)c4C3)CC2)NC1 ZINC001246492833 1314636873 /nfs/dbraw/zinc/63/68/73/1314636873.db2.gz CYGBJBSBXXTHKC-KRWDZBQOSA-N 1 3 345.437 2.864 20 0 EFADHO COc1cccc(C[C@H](C)[NH+]2CCC(C3=CC=C(N)CN3)CC2)c1 ZINC001246497257 1314637497 /nfs/dbraw/zinc/63/74/97/1314637497.db2.gz XDWOIPLHCXTYQH-HNNXBMFYSA-N 1 3 327.472 2.668 20 0 EFADHO NC1=CC=C(C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)NC1 ZINC001246494963 1314638216 /nfs/dbraw/zinc/63/82/16/1314638216.db2.gz NDMYNDKBZRPXRG-KRWDZBQOSA-N 1 3 327.497 2.745 20 0 EFADHO C[C@@H]1C[C@@H](NC[C@@H]2COc3ccc(Br)cc3C2)CC[NH2+]1 ZINC001246505660 1314638920 /nfs/dbraw/zinc/63/89/20/1314638920.db2.gz FZEHJZIWINCQBG-JMSVASOKSA-N 1 3 339.277 2.730 20 0 EFADHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccc(Br)cc3C2)CCN1 ZINC001246505660 1314638924 /nfs/dbraw/zinc/63/89/24/1314638924.db2.gz FZEHJZIWINCQBG-JMSVASOKSA-N 1 3 339.277 2.730 20 0 EFADHO COc1cccc([C@H](C[NH3+])N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1 ZINC001246513437 1314640785 /nfs/dbraw/zinc/64/07/85/1314640785.db2.gz WUSOQUIIVHWWSS-LRQRDZAKSA-N 1 3 339.483 2.948 20 0 EFADHO Brc1ccc2c(c1)C[C@H]([NH2+][C@H](C1CC1)C1CNC1)CC2 ZINC001246520458 1314641191 /nfs/dbraw/zinc/64/11/91/1314641191.db2.gz WHSCOBNQVYSUQN-IAGOWNOFSA-N 1 3 335.289 2.894 20 0 EFADHO Brc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C1CC1)C1CNC1)CC2 ZINC001246520459 1314641770 /nfs/dbraw/zinc/64/17/70/1314641770.db2.gz WHSCOBNQVYSUQN-IRXDYDNUSA-N 1 3 335.289 2.894 20 0 EFADHO Cc1ccc(Cl)cc1N1CCN([C@H]2CSC3(C[NH2+]C3)C2)CC1 ZINC001246534275 1314642981 /nfs/dbraw/zinc/64/29/81/1314642981.db2.gz RJDRUSUMNLQXLE-OAHLLOKOSA-N 1 3 337.920 2.618 20 0 EFADHO COc1ccc2cc(CC[C@H](C)N3CC[C@@H]([NH3+])[C@H](O)C3)ccc2c1 ZINC001246557803 1314648035 /nfs/dbraw/zinc/64/80/35/1314648035.db2.gz HZMUWSIBWMNDSX-VHKYSDTDSA-N 1 3 328.456 2.563 20 0 EFADHO C[C@@H]1CC([N@@H+]2CCCC[C@@](O)(CN)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246557997 1314648357 /nfs/dbraw/zinc/64/83/57/1314648357.db2.gz KCBBTPWVMFBOJG-DBXWQHBBSA-N 1 3 345.531 2.604 20 0 EFADHO C[C@@H]1CC([N@H+]2CCCC[C@@](O)(CN)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001246557997 1314648361 /nfs/dbraw/zinc/64/83/61/1314648361.db2.gz KCBBTPWVMFBOJG-DBXWQHBBSA-N 1 3 345.531 2.604 20 0 EFADHO NC[C@H]1CCCC[N@@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579183 1314651278 /nfs/dbraw/zinc/65/12/78/1314651278.db2.gz BABSDIAWNAYOQV-MJGOQNOKSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@H]1CCCC[N@H+]([C@H]2CCCN(C(=O)c3ccccc3)CC2)C1 ZINC001246579183 1314651282 /nfs/dbraw/zinc/65/12/82/1314651282.db2.gz BABSDIAWNAYOQV-MJGOQNOKSA-N 1 3 329.488 2.742 20 0 EFADHO NC[C@@H]1CCCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581455 1314651377 /nfs/dbraw/zinc/65/13/77/1314651377.db2.gz KSRZWZVBOTUFGO-OALUTQOASA-N 1 3 329.488 2.629 20 0 EFADHO NC[C@@H]1CCCC[N@H+]([C@H]2CCC(=O)N(Cc3ccccc3)CC2)C1 ZINC001246581455 1314651381 /nfs/dbraw/zinc/65/13/81/1314651381.db2.gz KSRZWZVBOTUFGO-OALUTQOASA-N 1 3 329.488 2.629 20 0 EFADHO CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]1CNCCC2 ZINC001246594687 1314654220 /nfs/dbraw/zinc/65/42/20/1314654220.db2.gz KTDBAJPVQASWFY-MPGHIAIKSA-N 1 3 342.549 2.771 20 0 EFADHO CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CC(C)(C)SC)C[C@@H]1CNCCC2 ZINC001246594687 1314654225 /nfs/dbraw/zinc/65/42/25/1314654225.db2.gz KTDBAJPVQASWFY-MPGHIAIKSA-N 1 3 342.549 2.771 20 0 EFADHO FC(F)(F)[C@@H]1C[C@H](N2CCCC[C@@]3(CCCC[NH2+]C3)C2)CCN1 ZINC001246610738 1314656683 /nfs/dbraw/zinc/65/66/83/1314656683.db2.gz RMBOMUAGFAUEGF-OWCLPIDISA-N 1 3 333.442 2.915 20 0 EFADHO O=C1CC[C@H]([N@@H+]2CCC[C@@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611956 1314657054 /nfs/dbraw/zinc/65/70/54/1314657054.db2.gz VBYLQIDWHQIEJN-PZJWPPBQSA-N 1 3 341.499 2.786 20 0 EFADHO O=C1CC[C@H]([N@H+]2CCC[C@@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611956 1314657056 /nfs/dbraw/zinc/65/70/56/1314657056.db2.gz VBYLQIDWHQIEJN-PZJWPPBQSA-N 1 3 341.499 2.786 20 0 EFADHO O=C1CC[C@@H]([N@@H+]2CCC[C@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611687 1314657427 /nfs/dbraw/zinc/65/74/27/1314657427.db2.gz VBYLQIDWHQIEJN-CTNGQTDRSA-N 1 3 341.499 2.786 20 0 EFADHO O=C1CC[C@@H]([N@H+]2CCC[C@]23CCCNC3)CCN1Cc1ccccc1 ZINC001246611687 1314657431 /nfs/dbraw/zinc/65/74/31/1314657431.db2.gz VBYLQIDWHQIEJN-CTNGQTDRSA-N 1 3 341.499 2.786 20 0 EFADHO CCCCCC[C@@H](CCCC)[N@@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625899 1314659090 /nfs/dbraw/zinc/65/90/90/1314659090.db2.gz IKONXRAOGQWXOE-YLJYHZDGSA-N 1 3 335.536 2.927 20 0 EFADHO CCCCCC[C@@H](CCCC)[N@H+]1CC2(CNC2)[C@]2(CCNC2=O)C1 ZINC001246625899 1314659092 /nfs/dbraw/zinc/65/90/92/1314659092.db2.gz IKONXRAOGQWXOE-YLJYHZDGSA-N 1 3 335.536 2.927 20 0 EFADHO COc1ccc(Cl)c2c1C[C@@H](N1CCC(F)(C[NH3+])CC1)CC2 ZINC001246625828 1314659397 /nfs/dbraw/zinc/65/93/97/1314659397.db2.gz HMXLSGMPDGKLPK-LBPRGKRZSA-N 1 3 326.843 2.969 20 0 EFADHO C1C[C@H]2CN(C3CCC(C4CCC5(CC4)OCCO5)CC3)C[C@H]2[NH2+]1 ZINC001246650429 1314664268 /nfs/dbraw/zinc/66/42/68/1314664268.db2.gz IAOGDUHIXNIZSK-VWPHEMMRSA-N 1 3 334.504 2.772 20 0 EFADHO C[C@H]1C[C@H](N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC[NH2+]1 ZINC001246695125 1314672527 /nfs/dbraw/zinc/67/25/27/1314672527.db2.gz LWRNMWGWQJHJGY-YYMGMBILSA-N 1 3 333.501 2.923 20 0 EFADHO C[C@@H]1C[C@@H](N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)CC[NH2+]1 ZINC001246695119 1314672711 /nfs/dbraw/zinc/67/27/11/1314672711.db2.gz LWRNMWGWQJHJGY-RZQILNRJSA-N 1 3 333.501 2.923 20 0 EFADHO C[C@@H]1C[C@H](N2CCC3(CCN(CC4CCCC4)C3=O)CC2)CC[NH2+]1 ZINC001246703725 1314673313 /nfs/dbraw/zinc/67/33/13/1314673313.db2.gz RWAAHSFCYDGFOR-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO C[C@@H]1C[C@H]([NH+]2CCC3(CCN(CC4CCCC4)C3=O)CC2)CCN1 ZINC001246703725 1314673318 /nfs/dbraw/zinc/67/33/18/1314673318.db2.gz RWAAHSFCYDGFOR-SJLPKXTDSA-N 1 3 333.520 2.632 20 0 EFADHO Cc1nc(CN2CCCC23CCN(C2CC[NH2+]CC2)CC3)cs1 ZINC001246702309 1314673378 /nfs/dbraw/zinc/67/33/78/1314673378.db2.gz FHCVCIOCCYHFJJ-UHFFFAOYSA-N 1 3 334.533 2.634 20 0 EFADHO C[C@H]1C[C@H]([NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CCN1 ZINC001246715861 1314674679 /nfs/dbraw/zinc/67/46/79/1314674679.db2.gz DERXOJHHAVFCCK-PKOBYXMFSA-N 1 3 341.499 2.755 20 0 EFADHO C[C@H]1C[C@H](N2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)CC[NH2+]1 ZINC001246715861 1314674681 /nfs/dbraw/zinc/67/46/81/1314674681.db2.gz DERXOJHHAVFCCK-PKOBYXMFSA-N 1 3 341.499 2.755 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H]4CCN[C@@H](C)C4)C3)C2=O)c1 ZINC001246730621 1314676973 /nfs/dbraw/zinc/67/69/73/1314676973.db2.gz UNBQEZNQHWJDMK-HFSMHLIXSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@H]4CCN[C@@H](C)C4)C3)C2=O)c1 ZINC001246730621 1314676975 /nfs/dbraw/zinc/67/69/75/1314676975.db2.gz UNBQEZNQHWJDMK-HFSMHLIXSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@@H+]([C@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730626 1314677004 /nfs/dbraw/zinc/67/70/04/1314677004.db2.gz UNBQEZNQHWJDMK-SLYNCCJLSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@]3(CC[N@H+]([C@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730626 1314677006 /nfs/dbraw/zinc/67/70/06/1314677006.db2.gz UNBQEZNQHWJDMK-SLYNCCJLSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@]3(CC[N@@H+]([C@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730622 1314677196 /nfs/dbraw/zinc/67/71/96/1314677196.db2.gz UNBQEZNQHWJDMK-LMNJBCLMSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1cccc(CN2CC[C@@]3(CC[N@H+]([C@H]4CCN[C@H](C)C4)C3)C2=O)c1 ZINC001246730622 1314677201 /nfs/dbraw/zinc/67/72/01/1314677201.db2.gz UNBQEZNQHWJDMK-LMNJBCLMSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@H]1CC[C@H]([N@@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755726 1314677739 /nfs/dbraw/zinc/67/77/39/1314677739.db2.gz QPSKARSUEFAJEK-RANZSIQMSA-N 1 3 336.483 2.799 20 0 EFADHO C[C@H]1CC[C@H]([N@H+]2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)CN1 ZINC001246755726 1314677742 /nfs/dbraw/zinc/67/77/42/1314677742.db2.gz QPSKARSUEFAJEK-RANZSIQMSA-N 1 3 336.483 2.799 20 0 EFADHO C(O[C@@H]1CN([C@H]2CC[NH2+]C3(CCCCC3)C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246774364 1314680386 /nfs/dbraw/zinc/68/03/86/1314680386.db2.gz NDLJIALHLYDXFH-INDMIFKZSA-N 1 3 334.504 2.567 20 0 EFADHO COC(=O)[C@@H]1C[C@@H](N)C[N@@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806618 1314686075 /nfs/dbraw/zinc/68/60/75/1314686075.db2.gz XWTXOMYJTQMARX-WVNPWQTNSA-N 1 3 342.483 2.635 20 0 EFADHO COC(=O)[C@@H]1C[C@@H](N)C[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001246806618 1314686080 /nfs/dbraw/zinc/68/60/80/1314686080.db2.gz XWTXOMYJTQMARX-WVNPWQTNSA-N 1 3 342.483 2.635 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087727 1314693650 /nfs/dbraw/zinc/69/36/50/1314693650.db2.gz NNFZAMSVOALJAL-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)C2CCC2)C1 ZINC001053087727 1314693653 /nfs/dbraw/zinc/69/36/53/1314693653.db2.gz NNFZAMSVOALJAL-MJGOQNOKSA-N 1 3 335.536 2.974 20 0 EFADHO c1csc([C@H]2C[NH2+]CCN2[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001246886345 1314703270 /nfs/dbraw/zinc/70/32/70/1314703270.db2.gz QMAUFCLCJOJDNA-QZTJIDSGSA-N 1 3 327.497 2.969 20 0 EFADHO CCC[C@@H](COC)[N@H+](CCC(=O)OCC)[C@H]1CCNC2(CCC2)C1 ZINC001246890316 1314703632 /nfs/dbraw/zinc/70/36/32/1314703632.db2.gz ITHMJSOHDUUVOO-IRXDYDNUSA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)[C@H]1CCNC2(CCC2)C1 ZINC001246890316 1314703636 /nfs/dbraw/zinc/70/36/36/1314703636.db2.gz ITHMJSOHDUUVOO-IRXDYDNUSA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@@H](COC)N(CCC(=O)OCC)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890316 1314703641 /nfs/dbraw/zinc/70/36/41/1314703641.db2.gz ITHMJSOHDUUVOO-IRXDYDNUSA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)[N@H+](CCC(=O)OCC)[C@@H]1CCNC2(CCC2)C1 ZINC001246890315 1314703686 /nfs/dbraw/zinc/70/36/86/1314703686.db2.gz ITHMJSOHDUUVOO-IAGOWNOFSA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)[C@@H]1CCNC2(CCC2)C1 ZINC001246890315 1314703690 /nfs/dbraw/zinc/70/36/90/1314703690.db2.gz ITHMJSOHDUUVOO-IAGOWNOFSA-N 1 3 340.508 2.731 20 0 EFADHO CCC[C@H](COC)N(CCC(=O)OCC)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246890315 1314703696 /nfs/dbraw/zinc/70/36/96/1314703696.db2.gz ITHMJSOHDUUVOO-IAGOWNOFSA-N 1 3 340.508 2.731 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915896 1314707818 /nfs/dbraw/zinc/70/78/18/1314707818.db2.gz QDRFLSUNUYYCPF-MJGOQNOKSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H]([N@@H+](Cc2ccccc2)C2CCNCC2)C1 ZINC001246915896 1314707821 /nfs/dbraw/zinc/70/78/21/1314707821.db2.gz QDRFLSUNUYYCPF-MJGOQNOKSA-N 1 3 330.472 2.972 20 0 EFADHO COC(=O)[C@@H]1CCC[C@H](N(Cc2ccccc2)C2CC[NH2+]CC2)C1 ZINC001246915896 1314707824 /nfs/dbraw/zinc/70/78/24/1314707824.db2.gz QDRFLSUNUYYCPF-MJGOQNOKSA-N 1 3 330.472 2.972 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001053097993 1314710569 /nfs/dbraw/zinc/71/05/69/1314710569.db2.gz JALSPBCREVSPCM-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001053097993 1314710573 /nfs/dbraw/zinc/71/05/73/1314710573.db2.gz JALSPBCREVSPCM-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001020288749 1314711218 /nfs/dbraw/zinc/71/12/18/1314711218.db2.gz IOJVPAWYNBPIRE-MTNOOBJLSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2F)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001020288749 1314711222 /nfs/dbraw/zinc/71/12/22/1314711222.db2.gz IOJVPAWYNBPIRE-MTNOOBJLSA-N 1 3 345.462 2.579 20 0 EFADHO CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098104 1314711682 /nfs/dbraw/zinc/71/16/82/1314711682.db2.gz KHXYPLMOMHQDAL-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001053098104 1314711686 /nfs/dbraw/zinc/71/16/86/1314711686.db2.gz KHXYPLMOMHQDAL-ZWKOTPCHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099345 1314714355 /nfs/dbraw/zinc/71/43/55/1314714355.db2.gz VMZACDYDDPLANF-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001053099345 1314714359 /nfs/dbraw/zinc/71/43/59/1314714359.db2.gz VMZACDYDDPLANF-WMZOPIPTSA-N 1 3 332.492 2.701 20 0 EFADHO Cc1cc(F)ccc1[C@@H]1C[C@H](N2CCNC[C@@H]2C(F)(F)F)CC[NH2+]1 ZINC001246985226 1314723371 /nfs/dbraw/zinc/72/33/71/1314723371.db2.gz AYLFSWBIZACTSN-VNQPRFMTSA-N 1 3 345.384 2.763 20 0 EFADHO C[C@@H]1C[C@H](N2CCNC[C@H]2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC001246992387 1314726201 /nfs/dbraw/zinc/72/62/01/1314726201.db2.gz QUDHMHIXGXOGEB-OIISXLGYSA-N 1 3 341.421 2.876 20 0 EFADHO C[C@@H]1C[C@H](N2CCNC[C@H]2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC001246992387 1314726204 /nfs/dbraw/zinc/72/62/04/1314726204.db2.gz QUDHMHIXGXOGEB-OIISXLGYSA-N 1 3 341.421 2.876 20 0 EFADHO COC(=O)[C@H]1CCN([C@@H]2CC[NH2+][C@H](C(C)C)C2)[C@H]1c1ccccc1 ZINC001247000475 1314728577 /nfs/dbraw/zinc/72/85/77/1314728577.db2.gz NCZSIBBZIBWBLS-XWSJACJDSA-N 1 3 330.472 2.999 20 0 EFADHO Fc1cccc2nc(-c3ccc4n3CCNC4)n(C3CC[NH2+]CC3)c21 ZINC001247029284 1314733170 /nfs/dbraw/zinc/73/31/70/1314733170.db2.gz ONNJBZGGOZCFQY-UHFFFAOYSA-N 1 3 339.418 2.672 20 0 EFADHO O=C(N[C@H]1C[C@H](NCc2ccccc2Cl)C1)C12CCC[NH+]1CCC2 ZINC001020348055 1314742946 /nfs/dbraw/zinc/74/29/46/1314742946.db2.gz LWSVDZRRLWZSNW-WKILWMFISA-N 1 3 347.890 2.705 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC=C(Cl)Cl ZINC001214889655 1314753616 /nfs/dbraw/zinc/75/36/16/1314753616.db2.gz ODDOGOUJZTUIEF-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC=C(Cl)Cl ZINC001214889655 1314753618 /nfs/dbraw/zinc/75/36/18/1314753618.db2.gz ODDOGOUJZTUIEF-HZSPNIEDSA-N 1 3 348.318 2.616 20 0 EFADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2cccc(C)c2)C1)N(C)C ZINC001214953020 1314762443 /nfs/dbraw/zinc/76/24/43/1314762443.db2.gz XDCHIVZWZXCXGM-MISYRCLQSA-N 1 3 345.531 2.704 20 0 EFADHO C[C@H]([NH2+]CCCN1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499756 1314766926 /nfs/dbraw/zinc/76/69/26/1314766926.db2.gz FNTFQJKZSGUTFB-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO C[C@H](NCCC[NH+]1CCCC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400499756 1314766928 /nfs/dbraw/zinc/76/69/28/1314766928.db2.gz FNTFQJKZSGUTFB-JKSUJKDBSA-N 1 3 325.497 2.850 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001214999492 1314767058 /nfs/dbraw/zinc/76/70/58/1314767058.db2.gz JUMJXVDGDUWQRW-IEBWSBKVSA-N 1 3 345.531 2.970 20 0 EFADHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2csc(C)c2)C1 ZINC001214997669 1314767442 /nfs/dbraw/zinc/76/74/42/1314767442.db2.gz LHDOGIRVVZMXEM-CZUORRHYSA-N 1 3 337.533 2.723 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1(C)C ZINC000401525030 1314810702 /nfs/dbraw/zinc/81/07/02/1314810702.db2.gz SUHOXUIEFGBUGM-OAGGEKHMSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1(C)C ZINC000401525030 1314810707 /nfs/dbraw/zinc/81/07/07/1314810707.db2.gz SUHOXUIEFGBUGM-OAGGEKHMSA-N 1 3 337.508 2.991 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)(C)C)C1)N(C)C ZINC001215474577 1314840345 /nfs/dbraw/zinc/84/03/45/1314840345.db2.gz ZKXYKXUNLSRITH-BRWVUGGUSA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(-c2ccc(-c3noc([C@H]4CNCC45C[NH2+]C5)n3)cc2)cc1 ZINC001247830032 1314849040 /nfs/dbraw/zinc/84/90/40/1314849040.db2.gz LEICJWVPKNDGNV-GOSISDBHSA-N 1 3 346.434 2.988 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001215568987 1314852459 /nfs/dbraw/zinc/85/24/59/1314852459.db2.gz UINDNRUXKNGZAK-SJLPKXTDSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1ccc(-c2ccc(-c3noc(C45CNCC4C[NH2+]C5)n3)cc2)cc1 ZINC001247849407 1314852932 /nfs/dbraw/zinc/85/29/32/1314852932.db2.gz CTTHSXZFOAPSJH-UHFFFAOYSA-N 1 3 346.434 2.772 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001276725937 1314856037 /nfs/dbraw/zinc/85/60/37/1314856037.db2.gz GXTWCOTYGXGNHI-FQEVSTJZSA-N 1 3 333.495 2.718 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccccc1F)C2 ZINC001276725937 1314856042 /nfs/dbraw/zinc/85/60/42/1314856042.db2.gz GXTWCOTYGXGNHI-FQEVSTJZSA-N 1 3 333.495 2.718 20 0 EFADHO Fc1ccccc1CC[N@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276726602 1314859845 /nfs/dbraw/zinc/85/98/45/1314859845.db2.gz OOFZIUWGFSGOGV-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO Fc1ccccc1CC[N@@H+]1C[C@@H]2CCN(Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276726602 1314859849 /nfs/dbraw/zinc/85/98/49/1314859849.db2.gz OOFZIUWGFSGOGV-KDURUIRLSA-N 1 3 342.462 2.935 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001215972988 1314896590 /nfs/dbraw/zinc/89/65/90/1314896590.db2.gz JQFFWZYAGYJWLD-GUFYHEMZSA-N 1 3 329.916 2.688 20 0 EFADHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2)C1 ZINC001215973044 1314896330 /nfs/dbraw/zinc/89/63/30/1314896330.db2.gz NFIMFNJLIGQLPB-IEBWSBKVSA-N 1 3 346.519 2.530 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001215994120 1314898331 /nfs/dbraw/zinc/89/83/31/1314898331.db2.gz QTLHNXCBHMCBRK-CRAIPNDOSA-N 1 3 343.471 2.711 20 0 EFADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001216002210 1314900051 /nfs/dbraw/zinc/90/00/51/1314900051.db2.gz OFOWSJUVNSWEBB-LSTHTHJFSA-N 1 3 343.515 2.842 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C1CC1 ZINC001038411814 1314914380 /nfs/dbraw/zinc/91/43/80/1314914380.db2.gz USMAPOZOIPWHTK-QUCCMNQESA-N 1 3 341.499 2.739 20 0 EFADHO CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001038411814 1314914384 /nfs/dbraw/zinc/91/43/84/1314914384.db2.gz USMAPOZOIPWHTK-QUCCMNQESA-N 1 3 341.499 2.739 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001038440242 1314932836 /nfs/dbraw/zinc/93/28/36/1314932836.db2.gz BOZNRHULPGLCHC-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC(C)(C)C1 ZINC001038440242 1314932837 /nfs/dbraw/zinc/93/28/37/1314932837.db2.gz BOZNRHULPGLCHC-QZTJIDSGSA-N 1 3 335.536 2.734 20 0 EFADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c2ccoc2ccc1F ZINC001248534504 1314942895 /nfs/dbraw/zinc/94/28/95/1314942895.db2.gz DEVNDQQMEDTUHE-ZWKOTPCHSA-N 1 3 331.435 2.782 20 0 EFADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1c2ccoc2ccc1F ZINC001248534504 1314942898 /nfs/dbraw/zinc/94/28/98/1314942898.db2.gz DEVNDQQMEDTUHE-ZWKOTPCHSA-N 1 3 331.435 2.782 20 0 EFADHO Cc1cc(C)cc(CN2CC[C@H]2CNC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC001038463921 1314949392 /nfs/dbraw/zinc/94/93/92/1314949392.db2.gz YSGBTCWOAUJDRX-IBGZPJMESA-N 1 3 348.450 2.955 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001216503005 1314962978 /nfs/dbraw/zinc/96/29/78/1314962978.db2.gz KTLORSUPHHNRRC-RHSMWYFYSA-N 1 3 337.895 2.618 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](CC)c2ccccc2)C1 ZINC001216516041 1314964479 /nfs/dbraw/zinc/96/44/79/1314964479.db2.gz YBKYGAZUBQYBOV-BHIYHBOVSA-N 1 3 331.504 2.916 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001216511212 1314964817 /nfs/dbraw/zinc/96/48/17/1314964817.db2.gz MZTUSMJVTRNOGD-IEBWSBKVSA-N 1 3 331.504 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001216511234 1314964934 /nfs/dbraw/zinc/96/49/34/1314964934.db2.gz NNPYAYKEGYADBV-BZUAXINKSA-N 1 3 345.478 2.590 20 0 EFADHO C[NH+](C)CCN1CC[C@@]2(C1)CCCN(Cc1ccc(Cl)cn1)C2 ZINC001276744849 1314984826 /nfs/dbraw/zinc/98/48/26/1314984826.db2.gz CWNOQEZYRVXMBF-GOSISDBHSA-N 1 3 336.911 2.585 20 0 EFADHO CC[C@H](F)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216828461 1315012465 /nfs/dbraw/zinc/01/24/65/1315012465.db2.gz HQFFVWIBQUXSJR-FHLIZLRMSA-N 1 3 335.467 2.546 20 0 EFADHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CCCCCF ZINC001216842843 1315014743 /nfs/dbraw/zinc/01/47/43/1315014743.db2.gz OQFAOORLMPXEMA-VQIMIIECSA-N 1 3 349.494 2.938 20 0 EFADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001216851756 1315015473 /nfs/dbraw/zinc/01/54/73/1315015473.db2.gz HOFNNLJPPDWEAF-OWCLPIDISA-N 1 3 345.478 2.589 20 0 EFADHO CCc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1 ZINC001216852257 1315016006 /nfs/dbraw/zinc/01/60/06/1315016006.db2.gz SWRJZNBCSPMRIG-VQIMIIECSA-N 1 3 331.504 2.526 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)c(C)c1 ZINC001216853778 1315016252 /nfs/dbraw/zinc/01/62/52/1315016252.db2.gz LYBLNJSOYSMANS-UYAOXDASSA-N 1 3 345.531 2.889 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276755574 1315072284 /nfs/dbraw/zinc/07/22/84/1315072284.db2.gz PUVQSASHWVUGNM-UHFFFAOYSA-N 1 3 329.448 2.503 20 0 EFADHO Cc1nc(C)c(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)o1 ZINC001276755574 1315072288 /nfs/dbraw/zinc/07/22/88/1315072288.db2.gz PUVQSASHWVUGNM-UHFFFAOYSA-N 1 3 329.448 2.503 20 0 EFADHO Cc1nc(C)c(CN2CCC[C@@]3(CCC[N@@H+](CCN(C)C)C3)C2)o1 ZINC001276755663 1315073525 /nfs/dbraw/zinc/07/35/25/1315073525.db2.gz SXLZHNDUDXCYFQ-LJQANCHMSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1nc(C)c(CN2CCC[C@@]3(CCC[N@H+](CCN(C)C)C3)C2)o1 ZINC001276755663 1315073530 /nfs/dbraw/zinc/07/35/30/1315073530.db2.gz SXLZHNDUDXCYFQ-LJQANCHMSA-N 1 3 334.508 2.531 20 0 EFADHO Cc1c(I)cccc1C[N@@H+](C)CCCN(C)C ZINC001249848610 1315146138 /nfs/dbraw/zinc/14/61/38/1315146138.db2.gz YJXLFYCZUZDEFN-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO Cc1c(I)cccc1C[N@H+](C)CCCN(C)C ZINC001249848610 1315146142 /nfs/dbraw/zinc/14/61/42/1315146142.db2.gz YJXLFYCZUZDEFN-UHFFFAOYSA-N 1 3 346.256 2.983 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1 ZINC001038782329 1315175976 /nfs/dbraw/zinc/17/59/76/1315175976.db2.gz SEZHBAPBIZRFCC-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001038782329 1315175979 /nfs/dbraw/zinc/17/59/79/1315175979.db2.gz SEZHBAPBIZRFCC-MSOLQXFVSA-N 1 3 335.536 2.876 20 0 EFADHO CCOc1cc(C)ccc1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001250182127 1315181912 /nfs/dbraw/zinc/18/19/12/1315181912.db2.gz SFCQILJJRZSWNY-UHFFFAOYSA-N 1 3 331.504 2.606 20 0 EFADHO CN1CCN(C2(c3ccc(CC[NH+]4CCCCC4)cc3)CC2)CC1 ZINC001250241855 1315188197 /nfs/dbraw/zinc/18/81/97/1315188197.db2.gz LJKSHZSYROXGRT-UHFFFAOYSA-N 1 3 327.516 2.952 20 0 EFADHO CN(C)CC[N@@H+]1CCC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001276784939 1315193353 /nfs/dbraw/zinc/19/33/53/1315193353.db2.gz OPGLJPCKYPYAGS-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)CC[N@H+]1CCC2(C1)CCN(Cc1cnccc1Cl)CC2 ZINC001276784939 1315193356 /nfs/dbraw/zinc/19/33/56/1315193356.db2.gz OPGLJPCKYPYAGS-UHFFFAOYSA-N 1 3 336.911 2.585 20 0 EFADHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(F)c(O)c3)(C1)CCC2 ZINC001276787168 1315201936 /nfs/dbraw/zinc/20/19/36/1315201936.db2.gz AKFSHPBCSJGMDV-RBUKOAKNSA-N 1 3 335.467 2.618 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2C(C)C)CC[N@@H+]1C ZINC001054042148 1315208721 /nfs/dbraw/zinc/20/87/21/1315208721.db2.gz PVDHZFPQYGUDJG-SLFFLAALSA-N 1 3 343.515 2.668 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2Cc3ccccc3CN2C(C)C)CC[N@H+]1C ZINC001054042148 1315208726 /nfs/dbraw/zinc/20/87/26/1315208726.db2.gz PVDHZFPQYGUDJG-SLFFLAALSA-N 1 3 343.515 2.668 20 0 EFADHO C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1cnccc1N(C)C ZINC001218563938 1315215381 /nfs/dbraw/zinc/21/53/81/1315215381.db2.gz UNOIVFNRIGCXHV-AWEZNQCLSA-N 1 3 332.835 2.570 20 0 EFADHO Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)Nc3cnccc3N(C)C)C2)c1 ZINC001218564041 1315215758 /nfs/dbraw/zinc/21/57/58/1315215758.db2.gz XDWYSWGYVJCCMX-SJORKVTESA-N 1 3 338.455 2.615 20 0 EFADHO N[C@@H](CC(=O)Nc1cncc(C[NH3+])c1)c1cccc(C(F)(F)F)c1 ZINC001218705693 1315232706 /nfs/dbraw/zinc/23/27/06/1315232706.db2.gz YSLNIZUBFXZYOQ-AWEZNQCLSA-N 1 3 338.333 2.588 20 0 EFADHO O=C(Nc1cc([C@@H]2CCCN2)no1)c1ccccc1C1CC[NH2+]CC1 ZINC001218712036 1315233478 /nfs/dbraw/zinc/23/34/78/1315233478.db2.gz GMJDAGYBZDSCTF-INIZCTEOSA-N 1 3 340.427 2.818 20 0 EFADHO N[C@@H](C(=O)Nc1ccc(C2(C(F)(F)F)CC2)cc1)C1CC[NH2+]CC1 ZINC001218816603 1315245625 /nfs/dbraw/zinc/24/56/25/1315245625.db2.gz SCFIKRVEUJQVJJ-CQSZACIVSA-N 1 3 341.377 2.546 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc2ccccc2cc1O ZINC001218887701 1315255226 /nfs/dbraw/zinc/25/52/26/1315255226.db2.gz OGKISSNIKWVOPC-INIZCTEOSA-N 1 3 329.444 2.980 20 0 EFADHO CCn1c2ccccc2c2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccc21 ZINC001218913744 1315259392 /nfs/dbraw/zinc/25/93/92/1315259392.db2.gz YITIDJFCSUDDJI-QGZVFWFLSA-N 1 3 348.450 2.562 20 0 EFADHO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001250762536 1315260638 /nfs/dbraw/zinc/26/06/38/1315260638.db2.gz JQPRXZYQFPHLNB-SFHVURJKSA-N 1 3 332.488 2.577 20 0 EFADHO O=C(Nc1ccc2cc[nH]c2c1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001218941602 1315262640 /nfs/dbraw/zinc/26/26/40/1315262640.db2.gz CPGIPYVHRRDFLV-HNNXBMFYSA-N 1 3 326.444 2.570 20 0 EFADHO [NH3+][C@@H](CC(=O)Nc1cccc2c1CNC2)Cc1ccccc1Cl ZINC001218995007 1315270191 /nfs/dbraw/zinc/27/01/91/1315270191.db2.gz QVNKJNMNXMODFA-CQSZACIVSA-N 1 3 329.831 2.842 20 0 EFADHO CCCCN1CCC([N@H+](C)C[C@H](O)COc2cccc(F)c2)CC1 ZINC001250813425 1315270536 /nfs/dbraw/zinc/27/05/36/1315270536.db2.gz SVNSNLJZUCGAKH-SFHVURJKSA-N 1 3 338.467 2.762 20 0 EFADHO CCCCN1CCC([N@@H+](C)C[C@H](O)COc2cccc(F)c2)CC1 ZINC001250813425 1315270542 /nfs/dbraw/zinc/27/05/42/1315270542.db2.gz SVNSNLJZUCGAKH-SFHVURJKSA-N 1 3 338.467 2.762 20 0 EFADHO Cc1ccc(C[C@H](N)C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)c(C)c1 ZINC001218996030 1315270604 /nfs/dbraw/zinc/27/06/04/1315270604.db2.gz VFPMDOFDLMXFEP-ICSRJNTNSA-N 1 3 337.467 2.889 20 0 EFADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1csc2c1CCNC2 ZINC001218998042 1315270755 /nfs/dbraw/zinc/27/07/55/1315270755.db2.gz ISYVXHIGCQKGLQ-ZDUSSCGKSA-N 1 3 327.453 2.723 20 0 EFADHO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1csc([C@H]2CCCN2)n1 ZINC001218998238 1315270906 /nfs/dbraw/zinc/27/09/06/1315270906.db2.gz MXOHQNFJLCYDHZ-DZGCQCFKSA-N 1 3 342.468 2.897 20 0 EFADHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC001219003855 1315271704 /nfs/dbraw/zinc/27/17/04/1315271704.db2.gz WOQHOBINQLBAJB-KRWDZBQOSA-N 1 3 325.456 2.936 20 0 EFADHO Cc1cc(Cl)c(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc1O ZINC001219034004 1315274793 /nfs/dbraw/zinc/27/47/93/1315274793.db2.gz WRJDAJUMTAUUFW-ZDUSSCGKSA-N 1 3 327.856 2.788 20 0 EFADHO CN1Cc2c(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cccc2[C@@H](c2ccccc2)C1 ZINC001219046575 1315277214 /nfs/dbraw/zinc/27/72/14/1315277214.db2.gz DUZABBWSXNENJC-IIMDRIAPSA-N 1 3 347.462 2.668 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cc(F)cc(OCc2ccccc2)c1 ZINC001219075978 1315280145 /nfs/dbraw/zinc/28/01/45/1315280145.db2.gz ARKJBZMZKGUKTM-SFHVURJKSA-N 1 3 345.418 2.800 20 0 EFADHO C[C@H]1CCN[C@@H](C(=O)Nc2cc(F)ccc2OCC2CC[NH2+]CC2)C1 ZINC001219128843 1315283868 /nfs/dbraw/zinc/28/38/68/1315283868.db2.gz IPAAAUBXMVXPJF-SUMWQHHRSA-N 1 3 349.450 2.531 20 0 EFADHO COc1cc(NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)cc2cccnc21 ZINC001219202243 1315290348 /nfs/dbraw/zinc/29/03/48/1315290348.db2.gz VMFLGMGRAURYFJ-INIZCTEOSA-N 1 3 344.459 2.678 20 0 EFADHO CC(=O)c1ccc(Oc2ccc(NC(=O)[C@@H](N)CCC[NH3+])cc2)cc1 ZINC001219228041 1315293200 /nfs/dbraw/zinc/29/32/00/1315293200.db2.gz WSJDOKNIGJBCKI-SFHVURJKSA-N 1 3 341.411 2.686 20 0 EFADHO N[C@@H](CC1CCCC1)C(=O)Nc1c(F)cccc1N1CCC([NH3+])CC1 ZINC001219290885 1315297833 /nfs/dbraw/zinc/29/78/33/1315297833.db2.gz NJKRRHLKASUGTA-INIZCTEOSA-N 1 3 348.466 2.599 20 0 EFADHO COc1cccc2c(NC(=O)[C@@H](N)CCCC[NH+](C)C)cccc12 ZINC001219362860 1315304675 /nfs/dbraw/zinc/30/46/75/1315304675.db2.gz ZONLXWUCJRGYHA-INIZCTEOSA-N 1 3 329.444 2.846 20 0 EFADHO O[C@H](CN1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC001250978067 1315305677 /nfs/dbraw/zinc/30/56/77/1315305677.db2.gz PFZJLYUEYUUFER-GVDBMIGSSA-N 1 3 342.405 2.754 20 0 EFADHO O[C@H](CN1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(F)(F)F ZINC001250978067 1315305681 /nfs/dbraw/zinc/30/56/81/1315305681.db2.gz PFZJLYUEYUUFER-GVDBMIGSSA-N 1 3 342.405 2.754 20 0 EFADHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC001251000988 1315309519 /nfs/dbraw/zinc/30/95/19/1315309519.db2.gz BXFRRFRNSIQTQU-KBMXLJTQSA-N 1 3 330.394 2.657 20 0 EFADHO N[C@H](CCC[NH3+])C(=O)Nc1cc(F)cc2c1-c1ccc(F)cc1C2 ZINC001219548424 1315321543 /nfs/dbraw/zinc/32/15/43/1315321543.db2.gz WURPUFFVCPIASX-OAHLLOKOSA-N 1 3 331.366 2.541 20 0 EFADHO CC(C)[C@H](C)NC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219553781 1315322399 /nfs/dbraw/zinc/32/23/99/1315322399.db2.gz LRRGERLDKVPDRG-FBBABVLZSA-N 1 3 343.515 2.649 20 0 EFADHO CCCCN(CC)[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1 ZINC001219635451 1315330901 /nfs/dbraw/zinc/33/09/01/1315330901.db2.gz HGVKJVLROHAMLG-BZSNNMDCSA-N 1 3 335.467 2.666 20 0 EFADHO CCCC[C@H]([NH2+]C)C(=O)NCCN1CCC(Cc2ccccc2)CC1 ZINC001219668922 1315334770 /nfs/dbraw/zinc/33/47/70/1315334770.db2.gz FEYNIJLDCSXYTD-FQEVSTJZSA-N 1 3 345.531 2.836 20 0 EFADHO Clc1ncccc1CN1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276807092 1315335810 /nfs/dbraw/zinc/33/58/10/1315335810.db2.gz YYFMVSQGECXLHI-UHFFFAOYSA-N 1 3 345.878 2.530 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)c1cccc(Cl)c1F ZINC001219687628 1315336229 /nfs/dbraw/zinc/33/62/29/1315336229.db2.gz VPSALONXIPZYPY-BXUZGUMPSA-N 1 3 339.842 2.531 20 0 EFADHO C[C@@H](NC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)c1cccc(Cl)c1F ZINC001219687628 1315336232 /nfs/dbraw/zinc/33/62/32/1315336232.db2.gz VPSALONXIPZYPY-BXUZGUMPSA-N 1 3 339.842 2.531 20 0 EFADHO C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)c1cccc(Cl)c1F ZINC001219689297 1315336997 /nfs/dbraw/zinc/33/69/97/1315336997.db2.gz MVDRQNGGEVQFFB-RISCZKNCSA-N 1 3 329.847 2.716 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054129570 1315338285 /nfs/dbraw/zinc/33/82/85/1315338285.db2.gz UTBAZRDEFAOWIO-UYAOXDASSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054129570 1315338289 /nfs/dbraw/zinc/33/82/89/1315338289.db2.gz UTBAZRDEFAOWIO-UYAOXDASSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001219777320 1315345814 /nfs/dbraw/zinc/34/58/14/1315345814.db2.gz GQAWIINBEQSTBP-GOSISDBHSA-N 1 3 343.515 2.502 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001054140180 1315354172 /nfs/dbraw/zinc/35/41/72/1315354172.db2.gz CMOVUNSDNKZXLT-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001054140180 1315354174 /nfs/dbraw/zinc/35/41/74/1315354174.db2.gz CMOVUNSDNKZXLT-FPOVZHCZSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142713 1315359085 /nfs/dbraw/zinc/35/90/85/1315359085.db2.gz HHXLMFUGHUSFAZ-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@@H](F)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054142713 1315359088 /nfs/dbraw/zinc/35/90/88/1315359088.db2.gz HHXLMFUGHUSFAZ-AEFFLSMTSA-N 1 3 339.499 2.533 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144225 1315361926 /nfs/dbraw/zinc/36/19/26/1315361926.db2.gz SHRHYWWJMODNGF-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(N(C)C)CCC1)C2 ZINC001054144225 1315361931 /nfs/dbraw/zinc/36/19/31/1315361931.db2.gz SHRHYWWJMODNGF-IEBWSBKVSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144705 1315362087 /nfs/dbraw/zinc/36/20/87/1315362087.db2.gz CDNKMIFCMFTQTA-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001054144705 1315362090 /nfs/dbraw/zinc/36/20/90/1315362090.db2.gz CDNKMIFCMFTQTA-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C12CC3CC(CC(C3)C1)C2 ZINC001219994186 1315363845 /nfs/dbraw/zinc/36/38/45/1315363845.db2.gz GHYYUHDSLDPSQL-MOAASNJQSA-N 1 3 345.531 2.582 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001219994186 1315363848 /nfs/dbraw/zinc/36/38/48/1315363848.db2.gz GHYYUHDSLDPSQL-MOAASNJQSA-N 1 3 345.531 2.582 20 0 EFADHO CC(C)[C@]1(C(=O)NC[C@H](c2ccccc2)N2CCCC2)CCC[NH2+]C1 ZINC001219998872 1315364016 /nfs/dbraw/zinc/36/40/16/1315364016.db2.gz DRXMEAKMZYIWGK-CTNGQTDRSA-N 1 3 343.515 2.966 20 0 EFADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCc1cc(Cl)nc(Cl)c1 ZINC001220070074 1315370489 /nfs/dbraw/zinc/37/04/89/1315370489.db2.gz ZCHIGKSQPQONAX-LBPRGKRZSA-N 1 3 347.290 2.500 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC3CCC3)C2)C1)N(C)C ZINC001054148663 1315370843 /nfs/dbraw/zinc/37/08/43/1315370843.db2.gz SEUMMNQILASOJA-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1)N(C)C ZINC001054148663 1315370847 /nfs/dbraw/zinc/37/08/47/1315370847.db2.gz SEUMMNQILASOJA-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1 ZINC001220221303 1315386204 /nfs/dbraw/zinc/38/62/04/1315386204.db2.gz YWFGGGWSNDYVAA-XWSJACJDSA-N 1 3 329.488 2.859 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(C3CC[NH2+]CC3)C2)CC(C)(C)C1 ZINC001220289009 1315395634 /nfs/dbraw/zinc/39/56/34/1315395634.db2.gz OYNTUPGRRFKUER-IKGGRYGDSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289009 1315395637 /nfs/dbraw/zinc/39/56/37/1315395637.db2.gz OYNTUPGRRFKUER-IKGGRYGDSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](C3CCNCC3)C2)CC(C)(C)C1 ZINC001220289009 1315395641 /nfs/dbraw/zinc/39/56/41/1315395641.db2.gz OYNTUPGRRFKUER-IKGGRYGDSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc12 ZINC001220338671 1315400748 /nfs/dbraw/zinc/40/07/48/1315400748.db2.gz HZXMVNZATCDKPN-LJQANCHMSA-N 1 3 337.467 2.639 20 0 EFADHO Cc1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc12 ZINC001220338671 1315400753 /nfs/dbraw/zinc/40/07/53/1315400753.db2.gz HZXMVNZATCDKPN-LJQANCHMSA-N 1 3 337.467 2.639 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)c2ccccc12 ZINC001220338670 1315400808 /nfs/dbraw/zinc/40/08/08/1315400808.db2.gz HZXMVNZATCDKPN-IBGZPJMESA-N 1 3 337.467 2.639 20 0 EFADHO Cc1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)c2ccccc12 ZINC001220338670 1315400812 /nfs/dbraw/zinc/40/08/12/1315400812.db2.gz HZXMVNZATCDKPN-IBGZPJMESA-N 1 3 337.467 2.639 20 0 EFADHO CCOC[C@@H](O)C[NH2+]CC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001252048003 1315408147 /nfs/dbraw/zinc/40/81/47/1315408147.db2.gz SOWMQDLWCCNFEG-SFHVURJKSA-N 1 3 340.895 2.539 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039279 1315412869 /nfs/dbraw/zinc/41/28/69/1315412869.db2.gz BXKWPKVFMMLRLH-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(CN(C)C)c1 ZINC001039039279 1315412872 /nfs/dbraw/zinc/41/28/72/1315412872.db2.gz BXKWPKVFMMLRLH-IBGZPJMESA-N 1 3 331.504 2.989 20 0 EFADHO O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220440838 1315413623 /nfs/dbraw/zinc/41/36/23/1315413623.db2.gz KKWFYUCAEJFYQC-OALUTQOASA-N 1 3 341.499 2.908 20 0 EFADHO O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220440838 1315413626 /nfs/dbraw/zinc/41/36/26/1315413626.db2.gz KKWFYUCAEJFYQC-OALUTQOASA-N 1 3 341.499 2.908 20 0 EFADHO CC(C)(C)c1ccc(C[C@@H](N)C(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC001220501042 1315421244 /nfs/dbraw/zinc/42/12/44/1315421244.db2.gz MXHAFMUDUWHAEL-MOPGFXCFSA-N 1 3 339.483 2.670 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001039049761 1315422749 /nfs/dbraw/zinc/42/27/49/1315422749.db2.gz MYPFENFZBOZKPS-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1CC[N@H+]1CC1CCCC1 ZINC001039049761 1315422751 /nfs/dbraw/zinc/42/27/51/1315422751.db2.gz MYPFENFZBOZKPS-GOSISDBHSA-N 1 3 329.488 2.743 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@]2(CCN(C/C=C/Cl)C2)C1)[NH+](C)C ZINC001054191498 1315431966 /nfs/dbraw/zinc/43/19/66/1315431966.db2.gz HJAKJFDVQZFOHB-KESHDOJXSA-N 1 3 341.927 2.640 20 0 EFADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)C13CC4CC(CC(C4)C1)C3)C2 ZINC001220716528 1315443116 /nfs/dbraw/zinc/44/31/16/1315443116.db2.gz KDJGFPSTSFGVEV-GQHMIRDSSA-N 1 3 345.531 2.662 20 0 EFADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)C13CC4CC(CC(C4)C1)C3)C2 ZINC001220716528 1315443120 /nfs/dbraw/zinc/44/31/20/1315443120.db2.gz KDJGFPSTSFGVEV-GQHMIRDSSA-N 1 3 345.531 2.662 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3ccccc32)C1 ZINC001252393943 1315444567 /nfs/dbraw/zinc/44/45/67/1315444567.db2.gz HJWBXFWPGDCRIA-SJLPKXTDSA-N 1 3 328.456 2.511 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc3ccccc32)C1 ZINC001252393943 1315444572 /nfs/dbraw/zinc/44/45/72/1315444572.db2.gz HJWBXFWPGDCRIA-SJLPKXTDSA-N 1 3 328.456 2.511 20 0 EFADHO C[N@@H+]1CCC[C@H](NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252394285 1315444943 /nfs/dbraw/zinc/44/49/43/1315444943.db2.gz MOZOKMLKIISOII-ZWKOTPCHSA-N 1 3 328.456 2.653 20 0 EFADHO C[N@H+]1CCC[C@H](NC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001252394285 1315444944 /nfs/dbraw/zinc/44/49/44/1315444944.db2.gz MOZOKMLKIISOII-ZWKOTPCHSA-N 1 3 328.456 2.653 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054199476 1315445013 /nfs/dbraw/zinc/44/50/13/1315445013.db2.gz XLUIPQKWJHEQQF-HKUYNNGSSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N(C)C ZINC001054199476 1315445014 /nfs/dbraw/zinc/44/50/14/1315445014.db2.gz XLUIPQKWJHEQQF-HKUYNNGSSA-N 1 3 349.544 2.903 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054199347 1315445897 /nfs/dbraw/zinc/44/58/97/1315445897.db2.gz TYYINGPSQJMUNZ-GOEBONIOSA-N 1 3 349.441 2.594 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@]2(CC[N@@H+](CCC(F)(F)F)C2)C1)N(C)C ZINC001054199347 1315445899 /nfs/dbraw/zinc/44/58/99/1315445899.db2.gz TYYINGPSQJMUNZ-GOEBONIOSA-N 1 3 349.441 2.594 20 0 EFADHO CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220769201 1315449294 /nfs/dbraw/zinc/44/92/94/1315449294.db2.gz KTCFKLDFKPCZKJ-AEFFLSMTSA-N 1 3 344.503 2.842 20 0 EFADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCC[C@H](c4ccccc4)N3)(C1)CCC2 ZINC001220781265 1315450651 /nfs/dbraw/zinc/45/06/51/1315450651.db2.gz VMYGOMLXLFIQIL-LCLWPZTBSA-N 1 3 327.472 2.790 20 0 EFADHO [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCC[C@@H](c4ccccc4)N3)(C1)CCC2 ZINC001220781263 1315450786 /nfs/dbraw/zinc/45/07/86/1315450786.db2.gz VMYGOMLXLFIQIL-KVPLUYHFSA-N 1 3 327.472 2.790 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001054204969 1315453057 /nfs/dbraw/zinc/45/30/57/1315453057.db2.gz HJHXVQJNONPHJO-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001054204969 1315453062 /nfs/dbraw/zinc/45/30/62/1315453062.db2.gz HJHXVQJNONPHJO-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO COc1ccc(CNC(=O)[C@@H](N)CCCC[NH+](C)C)c2ccccc12 ZINC001220815041 1315453314 /nfs/dbraw/zinc/45/33/14/1315453314.db2.gz YPWKGQZVSQKZLS-SFHVURJKSA-N 1 3 343.471 2.524 20 0 EFADHO O=C(N[C@H]1CCC[NH2+]C1)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001220885041 1315460202 /nfs/dbraw/zinc/46/02/02/1315460202.db2.gz WOPSFDZOHWVEGY-FQEVSTJZSA-N 1 3 349.478 2.576 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209888 1315461248 /nfs/dbraw/zinc/46/12/48/1315461248.db2.gz ZWPXOPRCJVTLTK-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCCN1C(C)C)C2 ZINC001054209888 1315461253 /nfs/dbraw/zinc/46/12/53/1315461253.db2.gz ZWPXOPRCJVTLTK-UYAOXDASSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209885 1315461876 /nfs/dbraw/zinc/46/18/76/1315461876.db2.gz ZWPXOPRCJVTLTK-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCCN1C(C)C)C2 ZINC001054209885 1315461879 /nfs/dbraw/zinc/46/18/79/1315461879.db2.gz ZWPXOPRCJVTLTK-AZUAARDMSA-N 1 3 335.536 2.974 20 0 EFADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cccc(-c2ccc(F)cc2)c1 ZINC001220963197 1315468282 /nfs/dbraw/zinc/46/82/82/1315468282.db2.gz XGMCPTWEUPBIOP-SFHVURJKSA-N 1 3 329.419 2.565 20 0 EFADHO N[C@@H](CC1CCC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001221033652 1315474695 /nfs/dbraw/zinc/47/46/95/1315474695.db2.gz ISJAVYUJIVJKOR-ROUUACIJSA-N 1 3 333.451 2.500 20 0 EFADHO N[C@@H](C(=O)N(CC[NH3+])c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001221060659 1315477856 /nfs/dbraw/zinc/47/78/56/1315477856.db2.gz JEPJTHNYEOLIDH-ITOSSNOYSA-N 1 3 345.462 2.661 20 0 EFADHO CC(C)OC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001252695312 1315488997 /nfs/dbraw/zinc/48/89/97/1315488997.db2.gz CXHGCDOYSDILPZ-YSTOQKLRSA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)OC[C@H](O)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001252695312 1315489000 /nfs/dbraw/zinc/48/90/00/1315489000.db2.gz CXHGCDOYSDILPZ-YSTOQKLRSA-N 1 3 332.488 2.558 20 0 EFADHO CC(C)CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)CN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188629 1315490337 /nfs/dbraw/zinc/49/03/37/1315490337.db2.gz ZSCLUVWKSAPQRN-ZQDZILKHSA-N 1 3 349.441 2.671 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039115659 1315490609 /nfs/dbraw/zinc/49/06/09/1315490609.db2.gz OHHAQNFJJPYKKU-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001039115659 1315490611 /nfs/dbraw/zinc/49/06/11/1315490611.db2.gz OHHAQNFJJPYKKU-MOPGFXCFSA-N 1 3 335.536 2.687 20 0 EFADHO C[NH+](C)CCN1CCC2(CN(Cc3ccc(F)c4ccoc43)C2)C1 ZINC001276819766 1315495178 /nfs/dbraw/zinc/49/51/78/1315495178.db2.gz XSGXEOXNYYTIEZ-UHFFFAOYSA-N 1 3 331.435 2.641 20 0 EFADHO CC(C)P(CCNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C(C)C ZINC001221254898 1315498911 /nfs/dbraw/zinc/49/89/11/1315498911.db2.gz ZHZCRLWCGKQAQV-AEFFLSMTSA-N 1 3 342.464 2.950 20 0 EFADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC[PH+](C(C)C)C(C)C ZINC001221253962 1315499053 /nfs/dbraw/zinc/49/90/53/1315499053.db2.gz CKPBJGBWLMPXLE-AWEZNQCLSA-N 1 3 346.452 2.721 20 0 EFADHO C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764162 1315503450 /nfs/dbraw/zinc/50/34/50/1315503450.db2.gz YROMAUJRJBOQLK-AEFFLSMTSA-N 1 3 334.504 2.655 20 0 EFADHO C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC001252764162 1315503453 /nfs/dbraw/zinc/50/34/53/1315503453.db2.gz YROMAUJRJBOQLK-AEFFLSMTSA-N 1 3 334.504 2.655 20 0 EFADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@@H](c2ccccc2)N1 ZINC001221331850 1315512165 /nfs/dbraw/zinc/51/21/65/1315512165.db2.gz GDMLPGBPGMXJQF-ACRUOGEOSA-N 1 3 349.478 2.782 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132666 1315515771 /nfs/dbraw/zinc/51/57/71/1315515771.db2.gz BRTMQSFHVMVMGS-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CN(C)[C@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC3CC3)C2)CC1)C1CC1 ZINC001039132666 1315515776 /nfs/dbraw/zinc/51/57/76/1315515776.db2.gz BRTMQSFHVMVMGS-UXHICEINSA-N 1 3 347.547 2.687 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001054244973 1315516124 /nfs/dbraw/zinc/51/61/24/1315516124.db2.gz MGKMJBPHHPYBAO-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001054244973 1315516127 /nfs/dbraw/zinc/51/61/27/1315516127.db2.gz MGKMJBPHHPYBAO-ICSRJNTNSA-N 1 3 333.520 2.585 20 0 EFADHO CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132699 1315516340 /nfs/dbraw/zinc/51/63/40/1315516340.db2.gz AWLQNFGDCBRREE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)C3(N(C)C)CCC3)CC2)C1 ZINC001039132699 1315516342 /nfs/dbraw/zinc/51/63/42/1315516342.db2.gz AWLQNFGDCBRREE-GOSISDBHSA-N 1 3 335.536 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001039133997 1315518314 /nfs/dbraw/zinc/51/83/14/1315518314.db2.gz NMXNRRFXFALAND-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CCC([C@@H]2CC[N@@H+](CC3CCC3)C2)CC1)C1CCC1 ZINC001039133997 1315518317 /nfs/dbraw/zinc/51/83/17/1315518317.db2.gz NMXNRRFXFALAND-LJQANCHMSA-N 1 3 347.547 2.831 20 0 EFADHO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276822530 1315522411 /nfs/dbraw/zinc/52/24/11/1315522411.db2.gz MVHCKQLPXHEMKV-CALCHBBNSA-N 1 3 327.476 2.699 20 0 EFADHO Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001276822530 1315522414 /nfs/dbraw/zinc/52/24/14/1315522414.db2.gz MVHCKQLPXHEMKV-CALCHBBNSA-N 1 3 327.476 2.699 20 0 EFADHO Cc1nc2ccc(NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC001252936406 1315537146 /nfs/dbraw/zinc/53/71/46/1315537146.db2.gz JRLBYFJDWAPMIV-FQEVSTJZSA-N 1 3 336.439 2.920 20 0 EFADHO Cc1nc2ccc(NC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC001252936406 1315537151 /nfs/dbraw/zinc/53/71/51/1315537151.db2.gz JRLBYFJDWAPMIV-FQEVSTJZSA-N 1 3 336.439 2.920 20 0 EFADHO CCCC[C@@H](CC)COC[C@H](O)CN(C)C1CC[NH+](CC)CC1 ZINC001253007881 1315550358 /nfs/dbraw/zinc/55/03/58/1315550358.db2.gz VLDBDASCZNJCSM-IEBWSBKVSA-N 1 3 328.541 2.996 20 0 EFADHO CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537880 1315548854 /nfs/dbraw/zinc/54/88/54/1315548854.db2.gz OBIVZQWSBKTBDV-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCN3C(C)C)[C@@H]2C1 ZINC001221537880 1315548857 /nfs/dbraw/zinc/54/88/57/1315548857.db2.gz OBIVZQWSBKTBDV-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221553044 1315551413 /nfs/dbraw/zinc/55/14/13/1315551413.db2.gz OGSOYAFVZZZRRL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)[C@@H]2C1 ZINC001221553044 1315551417 /nfs/dbraw/zinc/55/14/17/1315551417.db2.gz OGSOYAFVZZZRRL-QZTJIDSGSA-N 1 3 335.536 2.974 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253020710 1315554717 /nfs/dbraw/zinc/55/47/17/1315554717.db2.gz VAOVPZSAAVGMOF-FQBWVUSXSA-N 1 3 326.525 2.795 20 0 EFADHO CCCC[C@@H](CC)COC[C@@H](O)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253020710 1315554721 /nfs/dbraw/zinc/55/47/21/1315554721.db2.gz VAOVPZSAAVGMOF-FQBWVUSXSA-N 1 3 326.525 2.795 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039159407 1315556244 /nfs/dbraw/zinc/55/62/44/1315556244.db2.gz MSWLEOVISYTIJV-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC=C(C)C)C2)CC1)N(C)C ZINC001039159407 1315556246 /nfs/dbraw/zinc/55/62/46/1315556246.db2.gz MSWLEOVISYTIJV-OALUTQOASA-N 1 3 335.536 2.853 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039159680 1315556423 /nfs/dbraw/zinc/55/64/23/1315556423.db2.gz UWCIOCLPCSHZER-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@@H+](CCC(C)C)C2)CC1)N(C)C ZINC001039159680 1315556429 /nfs/dbraw/zinc/55/64/29/1315556429.db2.gz UWCIOCLPCSHZER-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CC4CC4)C3)CC2)CC1 ZINC001039164192 1315563221 /nfs/dbraw/zinc/56/32/21/1315563221.db2.gz FRRZTTPMHMGVGZ-HXUWFJFHSA-N 1 3 347.547 2.689 20 0 EFADHO CC1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC001039164192 1315563224 /nfs/dbraw/zinc/56/32/24/1315563224.db2.gz FRRZTTPMHMGVGZ-HXUWFJFHSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@H+](CC4CCC4)C3)CC2)C1 ZINC001039166118 1315565221 /nfs/dbraw/zinc/56/52/21/1315565221.db2.gz VQRSKRLMKMOFJF-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([C@@H]3CC[N@@H+](CC4CCC4)C3)CC2)C1 ZINC001039166118 1315565225 /nfs/dbraw/zinc/56/52/25/1315565225.db2.gz VQRSKRLMKMOFJF-FXAWDEMLSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001054651556 1315567984 /nfs/dbraw/zinc/56/79/84/1315567984.db2.gz YLYYQTDZRPUCRD-WMZOPIPTSA-N 1 3 335.536 2.878 20 0 EFADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC1CCCCCC1 ZINC001054736524 1315572803 /nfs/dbraw/zinc/57/28/03/1315572803.db2.gz KFZYHAKDCIYCFS-QFBILLFUSA-N 1 3 335.536 2.878 20 0 EFADHO CCN(CC)C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2F)CC1 ZINC001253191603 1315578693 /nfs/dbraw/zinc/57/86/93/1315578693.db2.gz ASQBZMUAHHMZLV-GOSISDBHSA-N 1 3 340.458 2.922 20 0 EFADHO CC[NH+](CC)C[C@H](O)CNCC1(Cc2ccc(OC)cc2)CCC1 ZINC001253212831 1315581755 /nfs/dbraw/zinc/58/17/55/1315581755.db2.gz IUTVQUAVEDORBL-GOSISDBHSA-N 1 3 334.504 2.700 20 0 EFADHO CC[NH+](CC)C[C@@H](O)CNCC1(Cc2ccccc2OC)CCC1 ZINC001253214734 1315581765 /nfs/dbraw/zinc/58/17/65/1315581765.db2.gz RGLXZKAOBCDUBR-SFHVURJKSA-N 1 3 334.504 2.700 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)N(C)C ZINC001039180961 1315588186 /nfs/dbraw/zinc/58/81/86/1315588186.db2.gz ZQSFIUPDJWSICL-OALUTQOASA-N 1 3 335.536 2.543 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@H]2CC[N@@H+](CC3CC3)C2)CC1)N(C)C ZINC001039180961 1315588189 /nfs/dbraw/zinc/58/81/89/1315588189.db2.gz ZQSFIUPDJWSICL-OALUTQOASA-N 1 3 335.536 2.543 20 0 EFADHO CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039181961 1315588793 /nfs/dbraw/zinc/58/87/93/1315588793.db2.gz FWBYAKDVTMMDEC-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCCN3CC)CC2)C1 ZINC001039181961 1315588794 /nfs/dbraw/zinc/58/87/94/1315588794.db2.gz FWBYAKDVTMMDEC-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039182480 1315589764 /nfs/dbraw/zinc/58/97/64/1315589764.db2.gz OUALMTILIISXGQ-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039182480 1315589766 /nfs/dbraw/zinc/58/97/66/1315589766.db2.gz OUALMTILIISXGQ-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC001039182482 1315590086 /nfs/dbraw/zinc/59/00/86/1315590086.db2.gz OUALMTILIISXGQ-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039182482 1315590089 /nfs/dbraw/zinc/59/00/89/1315590089.db2.gz OUALMTILIISXGQ-RBUKOAKNSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@H](O)CCOCc1ccccc1 ZINC001253290214 1315590100 /nfs/dbraw/zinc/59/01/00/1315590100.db2.gz FSQHVPJJXQTMID-UYAOXDASSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@H](O)CCOCc1ccccc1 ZINC001253290214 1315590101 /nfs/dbraw/zinc/59/01/01/1315590101.db2.gz FSQHVPJJXQTMID-UYAOXDASSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253290214 1315590104 /nfs/dbraw/zinc/59/01/04/1315590104.db2.gz FSQHVPJJXQTMID-UYAOXDASSA-N 1 3 334.504 2.808 20 0 EFADHO C[C@@H]1CCCC[N@@H+]1CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001253290213 1315590197 /nfs/dbraw/zinc/59/01/97/1315590197.db2.gz FSQHVPJJXQTMID-QUCCMNQESA-N 1 3 334.504 2.808 20 0 EFADHO C[C@@H]1CCCC[N@H+]1CCCNC[C@@H](O)CCOCc1ccccc1 ZINC001253290213 1315590199 /nfs/dbraw/zinc/59/01/99/1315590199.db2.gz FSQHVPJJXQTMID-QUCCMNQESA-N 1 3 334.504 2.808 20 0 EFADHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253290213 1315590201 /nfs/dbraw/zinc/59/02/01/1315590201.db2.gz FSQHVPJJXQTMID-QUCCMNQESA-N 1 3 334.504 2.808 20 0 EFADHO CC(C)(C)NC[C@@H](O)C[NH2+][C@H]1CC[C@@H](OCc2ccccc2)CC1 ZINC001253411652 1315601539 /nfs/dbraw/zinc/60/15/39/1315601539.db2.gz RTPZVBQLNOJPHQ-GBESFXJTSA-N 1 3 334.504 2.853 20 0 EFADHO CCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253530041 1315612292 /nfs/dbraw/zinc/61/22/92/1315612292.db2.gz VCIAVWNSQKDQGF-VAMGGRTRSA-N 1 3 338.536 2.608 20 0 EFADHO CCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253530041 1315612295 /nfs/dbraw/zinc/61/22/95/1315612295.db2.gz VCIAVWNSQKDQGF-VAMGGRTRSA-N 1 3 338.536 2.608 20 0 EFADHO C[NH+]1CCC(CN2CCN(Cc3ccc(C(C)(C)C)[nH]3)CC2)CC1 ZINC001137378912 1315613730 /nfs/dbraw/zinc/61/37/30/1315613730.db2.gz HBHUAWUBIZSOSZ-UHFFFAOYSA-N 1 3 332.536 2.772 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001000192732 1315647744 /nfs/dbraw/zinc/64/77/44/1315647744.db2.gz NDNNKHPRXJGMDP-UYAOXDASSA-N 1 3 343.515 2.868 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001000192729 1315647780 /nfs/dbraw/zinc/64/77/80/1315647780.db2.gz NDNNKHPRXJGMDP-AZUAARDMSA-N 1 3 343.515 2.868 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)CN3CCC[C@@H]3C)C2)c1 ZINC001000192422 1315648073 /nfs/dbraw/zinc/64/80/73/1315648073.db2.gz MHHKYJZZXOUUQW-FXAWDEMLSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001000191831 1315648212 /nfs/dbraw/zinc/64/82/12/1315648212.db2.gz KIGLDSLPFDENDG-QFBILLFUSA-N 1 3 347.478 2.721 20 0 EFADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001000192787 1315648461 /nfs/dbraw/zinc/64/84/61/1315648461.db2.gz NHOLZSZTWAPKKI-DOTOQJQBSA-N 1 3 349.906 2.905 20 0 EFADHO C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](NCc2ccccc2Cl)C1 ZINC001000192787 1315648463 /nfs/dbraw/zinc/64/84/63/1315648463.db2.gz NHOLZSZTWAPKKI-DOTOQJQBSA-N 1 3 349.906 2.905 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001039234107 1315657403 /nfs/dbraw/zinc/65/74/03/1315657403.db2.gz OUFMKYIGYCKHNQ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC1(C)CCN(CC(=O)N2CCCC[C@@H]2[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001039234107 1315657407 /nfs/dbraw/zinc/65/74/07/1315657407.db2.gz OUFMKYIGYCKHNQ-RBUKOAKNSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238141 1315664065 /nfs/dbraw/zinc/66/40/65/1315664065.db2.gz MLWIAOAUPAULJW-SJLPKXTDSA-N 1 3 330.476 2.621 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH]cn2)C1 ZINC001039238141 1315664068 /nfs/dbraw/zinc/66/40/68/1315664068.db2.gz MLWIAOAUPAULJW-SJLPKXTDSA-N 1 3 330.476 2.621 20 0 EFADHO CN(Cc1cccnc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254029898 1315666328 /nfs/dbraw/zinc/66/63/28/1315666328.db2.gz RDNZAHKJHPLACN-UHFFFAOYSA-N 1 3 325.456 2.541 20 0 EFADHO OC1(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038565 1315667732 /nfs/dbraw/zinc/66/77/32/1315667732.db2.gz ITSLRNQTXMSHCX-MRXNPFEDSA-N 1 3 342.405 2.898 20 0 EFADHO OC1(C[N@H+]2CC[C@@H](C(F)(F)F)C2)CCN(Cc2ccccc2)CC1 ZINC001254038565 1315667736 /nfs/dbraw/zinc/66/77/36/1315667736.db2.gz ITSLRNQTXMSHCX-MRXNPFEDSA-N 1 3 342.405 2.898 20 0 EFADHO CO[C@H]1CCC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040112 1315668173 /nfs/dbraw/zinc/66/81/73/1315668173.db2.gz OHUGKPCGDNTEOM-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CO[C@H]1CCC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254040112 1315668177 /nfs/dbraw/zinc/66/81/77/1315668177.db2.gz OHUGKPCGDNTEOM-IBGZPJMESA-N 1 3 332.488 2.514 20 0 EFADHO CCN(Cc1ccccn1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039801 1315668190 /nfs/dbraw/zinc/66/81/90/1315668190.db2.gz KHELCNGGSXXVRK-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO CC[N@H+](Cc1ccccn1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039801 1315668193 /nfs/dbraw/zinc/66/81/93/1315668193.db2.gz KHELCNGGSXXVRK-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO CC[N@@H+](Cc1ccccn1)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039801 1315668196 /nfs/dbraw/zinc/66/81/96/1315668196.db2.gz KHELCNGGSXXVRK-UHFFFAOYSA-N 1 3 339.483 2.931 20 0 EFADHO CO[C@@H]1CC[N@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001254042224 1315668249 /nfs/dbraw/zinc/66/82/49/1315668249.db2.gz BISJMIHVGPNCMA-IEBWSBKVSA-N 1 3 332.488 2.513 20 0 EFADHO CO[C@@H]1CC[N@@H+](CC2(O)CCN(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001254042224 1315668252 /nfs/dbraw/zinc/66/82/52/1315668252.db2.gz BISJMIHVGPNCMA-IEBWSBKVSA-N 1 3 332.488 2.513 20 0 EFADHO CC1(C)C[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC(C)(C)O1 ZINC001254040941 1315668473 /nfs/dbraw/zinc/66/84/73/1315668473.db2.gz FDDUTQNVZLKTBB-UHFFFAOYSA-N 1 3 346.515 2.903 20 0 EFADHO NCCC[NH2+]CCCCn1cc(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001254164408 1315677042 /nfs/dbraw/zinc/67/70/42/1315677042.db2.gz LNAWUBUKLXDMBJ-UHFFFAOYSA-N 1 3 342.274 2.971 20 0 EFADHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254380490 1315699720 /nfs/dbraw/zinc/69/97/20/1315699720.db2.gz SUAKNTBXEVCSHM-PMACEKPBSA-N 1 3 344.499 2.921 20 0 EFADHO CN1CCC[C@H]([NH2+][C@H](CO)c2cccc(Br)c2)CC1 ZINC001254504452 1315710709 /nfs/dbraw/zinc/71/07/09/1315710709.db2.gz BFMLDPAXHNFHEM-LSDHHAIUSA-N 1 3 327.266 2.556 20 0 EFADHO CN1CCC[C@H]([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC001254506003 1315710725 /nfs/dbraw/zinc/71/07/25/1315710725.db2.gz NFYPASDNBDHYOY-LSDHHAIUSA-N 1 3 327.266 2.556 20 0 EFADHO CN(C)Cc1nc(CSCC[NH2+][C@H]2CCCN(C)CC2)cs1 ZINC001254505051 1315711146 /nfs/dbraw/zinc/71/11/46/1315711146.db2.gz YKUPOGYWGXUOIO-AWEZNQCLSA-N 1 3 342.578 2.512 20 0 EFADHO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc(CN(C)C)c1 ZINC001039309686 1315712533 /nfs/dbraw/zinc/71/25/33/1315712533.db2.gz WLYWIIIPRKDYHS-YQQQUEKLSA-N 1 3 329.488 2.883 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515712 1315713206 /nfs/dbraw/zinc/71/32/06/1315713206.db2.gz BGIZVYWFSVGNQM-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001254515712 1315713207 /nfs/dbraw/zinc/71/32/07/1315713207.db2.gz BGIZVYWFSVGNQM-HZPDHXFCSA-N 1 3 325.497 2.850 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254523856 1315718287 /nfs/dbraw/zinc/71/82/87/1315718287.db2.gz SATSYBQHZXZMDS-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCCC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC001254523856 1315718290 /nfs/dbraw/zinc/71/82/90/1315718290.db2.gz SATSYBQHZXZMDS-INIZCTEOSA-N 1 3 337.508 2.804 20 0 EFADHO C[N@@H+]1CCC[C@H](N2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530817 1315719325 /nfs/dbraw/zinc/71/93/25/1315719325.db2.gz BUTWGSNCKGZINL-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO C[N@H+]1CCC[C@H](N2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530817 1315719328 /nfs/dbraw/zinc/71/93/28/1315719328.db2.gz BUTWGSNCKGZINL-OALUTQOASA-N 1 3 330.472 2.926 20 0 EFADHO CN1CCC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 ZINC001254530902 1315719610 /nfs/dbraw/zinc/71/96/10/1315719610.db2.gz HZLMABFOFGPGNP-QZTJIDSGSA-N 1 3 333.451 2.504 20 0 EFADHO CN1CCC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)CC1 ZINC001254530902 1315719612 /nfs/dbraw/zinc/71/96/12/1315719612.db2.gz HZLMABFOFGPGNP-QZTJIDSGSA-N 1 3 333.451 2.504 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254527396 1315719765 /nfs/dbraw/zinc/71/97/65/1315719765.db2.gz XRMLKWWZEWYOBM-INIZCTEOSA-N 1 3 325.497 2.802 20 0 EFADHO CN(C(=O)OC(C)(C)C)C1CCN([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254527396 1315719768 /nfs/dbraw/zinc/71/97/68/1315719768.db2.gz XRMLKWWZEWYOBM-INIZCTEOSA-N 1 3 325.497 2.802 20 0 EFADHO C[N@@H+]1CCC[C@@H](N2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530819 1315719789 /nfs/dbraw/zinc/71/97/89/1315719789.db2.gz BUTWGSNCKGZINL-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO C[N@H+]1CCC[C@@H](N2CCC[C@H](C(=O)OCc3ccccc3)C2)CC1 ZINC001254530819 1315719793 /nfs/dbraw/zinc/71/97/93/1315719793.db2.gz BUTWGSNCKGZINL-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO C[N@@H+]1CCC[C@@H](N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254531979 1315720812 /nfs/dbraw/zinc/72/08/12/1315720812.db2.gz OBPLOVBHKRJQQZ-NVXWUHKLSA-N 1 3 337.508 2.945 20 0 EFADHO C[N@H+]1CCC[C@@H](N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001254531979 1315720813 /nfs/dbraw/zinc/72/08/13/1315720813.db2.gz OBPLOVBHKRJQQZ-NVXWUHKLSA-N 1 3 337.508 2.945 20 0 EFADHO CC(C)N(CCC[NH3+])[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683031 1315740594 /nfs/dbraw/zinc/74/05/94/1315740594.db2.gz RSVFUXIHZDSJIO-CQSZACIVSA-N 1 3 343.537 2.541 20 0 EFADHO CC(C)[N@H+](CCCN)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683031 1315740597 /nfs/dbraw/zinc/74/05/97/1315740597.db2.gz RSVFUXIHZDSJIO-CQSZACIVSA-N 1 3 343.537 2.541 20 0 EFADHO CC(C)[N@@H+](CCCN)[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254683031 1315740600 /nfs/dbraw/zinc/74/06/00/1315740600.db2.gz RSVFUXIHZDSJIO-CQSZACIVSA-N 1 3 343.537 2.541 20 0 EFADHO c1ccc(CN2CCC[C@H](C[NH2+][C@@H]3CC4CCN(CC4)C3)C2)cc1 ZINC001254835398 1315747688 /nfs/dbraw/zinc/74/76/88/1315747688.db2.gz GQDJOZMJOTZXMD-NHCUHLMSSA-N 1 3 327.516 2.973 20 0 EFADHO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC2CCN(CC2)C1 ZINC001254860415 1315750843 /nfs/dbraw/zinc/75/08/43/1315750843.db2.gz METHEERKYJMUSB-SFTDATJTSA-N 1 3 327.516 2.925 20 0 EFADHO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC2CCN(CC2)C1 ZINC001254860415 1315750845 /nfs/dbraw/zinc/75/08/45/1315750845.db2.gz METHEERKYJMUSB-SFTDATJTSA-N 1 3 327.516 2.925 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001254882944 1315754364 /nfs/dbraw/zinc/75/43/64/1315754364.db2.gz NMOYYYPXXNSTLG-FVQHAEBGSA-N 1 3 339.524 2.953 20 0 EFADHO C[NH+](C)C1CCN([C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)CC1 ZINC001254900559 1315756889 /nfs/dbraw/zinc/75/68/89/1315756889.db2.gz RCDXNCJJFQEEKR-SCAQPMJSSA-N 1 3 337.508 2.658 20 0 EFADHO CN1CC[C@@H]2C[N@@H+]([C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254903359 1315757039 /nfs/dbraw/zinc/75/70/39/1315757039.db2.gz FOGBBUJVZNWYQL-DFBDCSAJSA-N 1 3 349.519 2.515 20 0 EFADHO CN1CC[C@@H]2C[N@H+]([C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]4C3)C[C@@H]2C1 ZINC001254903359 1315757040 /nfs/dbraw/zinc/75/70/40/1315757040.db2.gz FOGBBUJVZNWYQL-DFBDCSAJSA-N 1 3 349.519 2.515 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001050388061 1315766887 /nfs/dbraw/zinc/76/68/87/1315766887.db2.gz FRQGPOYNFUDWQH-QAQDUYKDSA-N 1 3 332.492 2.715 20 0 EFADHO CN1CC2(C1)CC[NH+]([C@@H]1C[C@H]3C[C@@H](C1)N(C(=O)OC(C)(C)C)C3)CC2 ZINC001254988415 1315768578 /nfs/dbraw/zinc/76/85/78/1315768578.db2.gz OMQIHQBVRZLTNV-BBWFWOEESA-N 1 3 349.519 2.802 20 0 EFADHO CN(C(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC001255121593 1315778520 /nfs/dbraw/zinc/77/85/20/1315778520.db2.gz DODNDRIGJTYGIR-VJDPLVQDSA-N 1 3 341.499 2.783 20 0 EFADHO CN(C(=O)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC001255121593 1315778523 /nfs/dbraw/zinc/77/85/23/1315778523.db2.gz DODNDRIGJTYGIR-VJDPLVQDSA-N 1 3 341.499 2.783 20 0 EFADHO O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccn1 ZINC001255127996 1315779038 /nfs/dbraw/zinc/77/90/38/1315779038.db2.gz HWLZEBIIFFCSGI-WERVVEIQSA-N 1 3 337.467 2.900 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424108 1315782548 /nfs/dbraw/zinc/78/25/48/1315782548.db2.gz AZCPLDYHUJQRQM-OKYOBFRVSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424108 1315782550 /nfs/dbraw/zinc/78/25/50/1315782550.db2.gz AZCPLDYHUJQRQM-OKYOBFRVSA-N 1 3 333.520 2.748 20 0 EFADHO CC(C)[C@H](C(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2)N(C)C ZINC001050650325 1315788764 /nfs/dbraw/zinc/78/87/64/1315788764.db2.gz DTYRXEPUPRJGDK-LJQANCHMSA-N 1 3 347.547 2.997 20 0 EFADHO CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCN1CCC(C)CC1)C2 ZINC001255188870 1315788973 /nfs/dbraw/zinc/78/89/73/1315788973.db2.gz PREJUSZMRSVFPA-NNZMDNLPSA-N 1 3 337.508 2.850 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CN3CCC(C)(C)C3)C2)CC1 ZINC001050660760 1315791352 /nfs/dbraw/zinc/79/13/52/1315791352.db2.gz AHCVRZIVWOZEHL-KRWDZBQOSA-N 1 3 335.536 2.689 20 0 EFADHO CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001039437604 1315791382 /nfs/dbraw/zinc/79/13/82/1315791382.db2.gz QBELFMKDIVBWND-GJYPPUQNSA-N 1 3 339.499 2.674 20 0 EFADHO CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001039437604 1315791385 /nfs/dbraw/zinc/79/13/85/1315791385.db2.gz QBELFMKDIVBWND-GJYPPUQNSA-N 1 3 339.499 2.674 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CC[NH+](CC2CC(C)(C)C2)CC3)C1 ZINC001050662108 1315791834 /nfs/dbraw/zinc/79/18/34/1315791834.db2.gz DUEZRLUBUYRBOV-KRWDZBQOSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001050662764 1315793001 /nfs/dbraw/zinc/79/30/01/1315793001.db2.gz NGKOJGDNVPBOIK-KRWDZBQOSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001050663347 1315793652 /nfs/dbraw/zinc/79/36/52/1315793652.db2.gz RKVXZNMLYVOTSP-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001050663012 1315793800 /nfs/dbraw/zinc/79/38/00/1315793800.db2.gz PRYATFVILMBQDJ-SFHVURJKSA-N 1 3 341.499 2.595 20 0 EFADHO CCC(CC)C[NH+]1CCC2(CN(C(=O)CN3CCC[C@@H]3C)C2)CC1 ZINC001050663655 1315794020 /nfs/dbraw/zinc/79/40/20/1315794020.db2.gz XYYOIYNLKKGVHV-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO FCCn1cncc1C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255392746 1315815226 /nfs/dbraw/zinc/81/52/26/1315815226.db2.gz KTVUOQXYJWWFER-SFHVURJKSA-N 1 3 330.451 2.997 20 0 EFADHO COCCn1cncc1C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255394560 1315816672 /nfs/dbraw/zinc/81/66/72/1315816672.db2.gz VXQKPIYTTRCEHS-IBGZPJMESA-N 1 3 342.487 2.674 20 0 EFADHO CC(=O)NC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397040 1315816763 /nfs/dbraw/zinc/81/67/63/1315816763.db2.gz CZWYLBNIAGCFSJ-HXUWFJFHSA-N 1 3 329.488 2.642 20 0 EFADHO CC(=O)NC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255397040 1315816767 /nfs/dbraw/zinc/81/67/67/1315816767.db2.gz CZWYLBNIAGCFSJ-HXUWFJFHSA-N 1 3 329.488 2.642 20 0 EFADHO COC(=O)[C@H]1CCCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255398628 1315817429 /nfs/dbraw/zinc/81/74/29/1315817429.db2.gz LKCHZHOTFOOGDS-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO COC(=O)[C@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255398628 1315817432 /nfs/dbraw/zinc/81/74/32/1315817432.db2.gz LKCHZHOTFOOGDS-RBUKOAKNSA-N 1 3 330.472 2.926 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255407941 1315819097 /nfs/dbraw/zinc/81/90/97/1315819097.db2.gz GPRVJMKZLKNEJC-OAQYLSRUSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N(C)C1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255407941 1315819099 /nfs/dbraw/zinc/81/90/99/1315819099.db2.gz GPRVJMKZLKNEJC-OAQYLSRUSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409862 1315819663 /nfs/dbraw/zinc/81/96/63/1315819663.db2.gz LWQBQWHZFJNVMC-RTWAWAEBSA-N 1 3 343.515 2.984 20 0 EFADHO CC(=O)N1CCC[C@H](N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409862 1315819667 /nfs/dbraw/zinc/81/96/67/1315819667.db2.gz LWQBQWHZFJNVMC-RTWAWAEBSA-N 1 3 343.515 2.984 20 0 EFADHO CN1CCC[C@H](c2nnc([C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421702 1315821555 /nfs/dbraw/zinc/82/15/55/1315821555.db2.gz RNKXDXWESKDBRN-DLBZAZTESA-N 1 3 326.444 2.868 20 0 EFADHO CN1CCC[C@H](c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255421702 1315821557 /nfs/dbraw/zinc/82/15/57/1315821557.db2.gz RNKXDXWESKDBRN-DLBZAZTESA-N 1 3 326.444 2.868 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@@H]2CCC[N@@H+](C)C2)CC3)cs1 ZINC001255482161 1315830136 /nfs/dbraw/zinc/83/01/36/1315830136.db2.gz GOBOOEASNMOZAU-GOSISDBHSA-N 1 3 348.560 2.976 20 0 EFADHO Cc1nc(CN2CCCC23CCN([C@@H]2CCC[N@H+](C)C2)CC3)cs1 ZINC001255482161 1315830139 /nfs/dbraw/zinc/83/01/39/1315830139.db2.gz GOBOOEASNMOZAU-GOSISDBHSA-N 1 3 348.560 2.976 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039484116 1315830535 /nfs/dbraw/zinc/83/05/35/1315830535.db2.gz PKHBNNVLMKRBOL-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CC2CC2)CC2CCCC2)CC1 ZINC001039484116 1315830538 /nfs/dbraw/zinc/83/05/38/1315830538.db2.gz PKHBNNVLMKRBOL-HXUWFJFHSA-N 1 3 347.547 2.974 20 0 EFADHO CN(C)C1(C(=O)N2CCC([NH+](CC3CC3)CC3CC3)CC2)CCC1 ZINC001039486919 1315834738 /nfs/dbraw/zinc/83/47/38/1315834738.db2.gz VLOHJXVPYMZWPD-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@@H+]([C@H]1CCOC(C)(C)C1)C2 ZINC001255541211 1315837084 /nfs/dbraw/zinc/83/70/84/1315837084.db2.gz OVNCNZCEVNKROG-CMKODMSKSA-N 1 3 336.520 2.624 20 0 EFADHO COC[C@@H]1CN(CC2CC2)C[C@@]12CC[N@H+]([C@H]1CCOC(C)(C)C1)C2 ZINC001255541211 1315837087 /nfs/dbraw/zinc/83/70/87/1315837087.db2.gz OVNCNZCEVNKROG-CMKODMSKSA-N 1 3 336.520 2.624 20 0 EFADHO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1CN1CCN(C)CC1 ZINC001255635225 1315851087 /nfs/dbraw/zinc/85/10/87/1315851087.db2.gz UJKYJHJECIUDDP-AWEZNQCLSA-N 1 3 329.410 2.865 20 0 EFADHO COCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1F ZINC001255671540 1315855527 /nfs/dbraw/zinc/85/55/27/1315855527.db2.gz OWKHQCNXDCRALJ-ALOPSCKCSA-N 1 3 336.451 2.956 20 0 EFADHO Cc1cncnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255683652 1315858443 /nfs/dbraw/zinc/85/84/43/1315858443.db2.gz SVCVYVZPQBEHNV-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO Cc1cncnc1O[C@@H]1CCCN(C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255683652 1315858446 /nfs/dbraw/zinc/85/84/46/1315858446.db2.gz SVCVYVZPQBEHNV-UJJTZGENSA-N 1 3 330.476 2.644 20 0 EFADHO C[C@H](CSc1ccc(F)cc1)N1CCN(CCCC[NH3+])CC1 ZINC001255737013 1315863330 /nfs/dbraw/zinc/86/33/30/1315863330.db2.gz FLIBYLPMEXNOCI-OAHLLOKOSA-N 1 3 325.497 2.663 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255903920 1315879086 /nfs/dbraw/zinc/87/90/86/1315879086.db2.gz WGDBSTDMPJUAQQ-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001255903920 1315879090 /nfs/dbraw/zinc/87/90/90/1315879090.db2.gz WGDBSTDMPJUAQQ-CVEARBPZSA-N 1 3 325.497 2.706 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589407 1315880586 /nfs/dbraw/zinc/88/05/86/1315880586.db2.gz BPVPVOMXKBKPRF-WTGUMLROSA-N 1 3 345.531 2.726 20 0 EFADHO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1 ZINC001039589407 1315880590 /nfs/dbraw/zinc/88/05/90/1315880590.db2.gz BPVPVOMXKBKPRF-WTGUMLROSA-N 1 3 345.531 2.726 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@@H+]1C ZINC001039592646 1315881463 /nfs/dbraw/zinc/88/14/63/1315881463.db2.gz RDYBHPBYWPDHOC-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC2CC2)CC[N@H+]1C ZINC001039592646 1315881464 /nfs/dbraw/zinc/88/14/64/1315881464.db2.gz RDYBHPBYWPDHOC-ZSYWTGECSA-N 1 3 333.520 2.582 20 0 EFADHO CC[NH+](CC)CC[C@H](C)NCC1(c2ccc(OC)cn2)CCOCC1 ZINC001255952478 1315883682 /nfs/dbraw/zinc/88/36/82/1315883682.db2.gz MUAZAZBTFMDHPS-KRWDZBQOSA-N 1 3 349.519 2.848 20 0 EFADHO CC[NH+](CC)CC[C@@H](C)N[C@H]1CCN(Cc2ccc(OC)cc2)C1 ZINC001255953606 1315884177 /nfs/dbraw/zinc/88/41/77/1315884177.db2.gz LUXLJVXQPMMMAR-MJGOQNOKSA-N 1 3 333.520 2.980 20 0 EFADHO CCN(CC)CC[C@H](C)[NH2+]C1CCN(C(=O)N(CC)CC)CC1 ZINC001255952714 1315884214 /nfs/dbraw/zinc/88/42/14/1315884214.db2.gz GWTJFZBAKFKZID-INIZCTEOSA-N 1 3 326.529 2.623 20 0 EFADHO CC[NH+](CC)CC[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]2C[C@H]21 ZINC001255955057 1315884522 /nfs/dbraw/zinc/88/45/22/1315884522.db2.gz MZJRQEVCKIRFRH-YLFCFFPRSA-N 1 3 339.524 2.952 20 0 EFADHO CCN(CC)CC[C@H](C)[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001255962924 1315886707 /nfs/dbraw/zinc/88/67/07/1315886707.db2.gz LQVHVQYJXQJOCF-DSKINZAPSA-N 1 3 343.515 2.713 20 0 EFADHO CCN(CC)CC[C@H](C)[N@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001255962924 1315886710 /nfs/dbraw/zinc/88/67/10/1315886710.db2.gz LQVHVQYJXQJOCF-DSKINZAPSA-N 1 3 343.515 2.713 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001039621503 1315887003 /nfs/dbraw/zinc/88/70/03/1315887003.db2.gz XFTQKUUYYWZURP-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001039621503 1315887004 /nfs/dbraw/zinc/88/70/04/1315887004.db2.gz XFTQKUUYYWZURP-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001039621503 1315887006 /nfs/dbraw/zinc/88/70/06/1315887006.db2.gz XFTQKUUYYWZURP-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)CC ZINC001039621503 1315887008 /nfs/dbraw/zinc/88/70/08/1315887008.db2.gz XFTQKUUYYWZURP-AKHDSKFASA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001039621505 1315887228 /nfs/dbraw/zinc/88/72/28/1315887228.db2.gz XFTQKUUYYWZURP-OKYOBFRVSA-N 1 3 335.536 2.972 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001039621505 1315887232 /nfs/dbraw/zinc/88/72/32/1315887232.db2.gz XFTQKUUYYWZURP-OKYOBFRVSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001039621505 1315887235 /nfs/dbraw/zinc/88/72/35/1315887235.db2.gz XFTQKUUYYWZURP-OKYOBFRVSA-N 1 3 335.536 2.972 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)CC ZINC001039621505 1315887237 /nfs/dbraw/zinc/88/72/37/1315887237.db2.gz XFTQKUUYYWZURP-OKYOBFRVSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039622495 1315887358 /nfs/dbraw/zinc/88/73/58/1315887358.db2.gz CTOIFGLTFXJVON-SLFFLAALSA-N 1 3 347.547 2.830 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039622495 1315887361 /nfs/dbraw/zinc/88/73/61/1315887361.db2.gz CTOIFGLTFXJVON-SLFFLAALSA-N 1 3 347.547 2.830 20 0 EFADHO O=C(N1C[C@H]2CCC[C@@H](C1)N2CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001039671259 1315892465 /nfs/dbraw/zinc/89/24/65/1315892465.db2.gz AOGGCMMQSCZFBW-KDURUIRLSA-N 1 3 345.531 2.728 20 0 EFADHO O=C(N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1)C12CCC[NH+](CCC1)C2 ZINC001039671730 1315892679 /nfs/dbraw/zinc/89/26/79/1315892679.db2.gz ZHGYSFUMKLHKAX-KDURUIRLSA-N 1 3 345.531 2.728 20 0 EFADHO c1cnc(N2CCC([N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)nc1 ZINC001256060134 1315898113 /nfs/dbraw/zinc/89/81/13/1315898113.db2.gz CNXJCCWYDNWEHZ-SFHVURJKSA-N 1 3 343.519 2.786 20 0 EFADHO c1cnc(N2CCC([N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)nc1 ZINC001256060134 1315898116 /nfs/dbraw/zinc/89/81/16/1315898116.db2.gz CNXJCCWYDNWEHZ-SFHVURJKSA-N 1 3 343.519 2.786 20 0 EFADHO c1cnc(N2CCC(N3CCCC[C@H]3CC[NH+]3CCCC3)CC2)nc1 ZINC001256060134 1315898118 /nfs/dbraw/zinc/89/81/18/1315898118.db2.gz CNXJCCWYDNWEHZ-SFHVURJKSA-N 1 3 343.519 2.786 20 0 EFADHO O=C1Nc2ccccc2C12CCN(C1CC[NH+](C3CC3)CC1)CC2 ZINC001256076261 1315900691 /nfs/dbraw/zinc/90/06/91/1315900691.db2.gz XBHWFGORLBJZJO-UHFFFAOYSA-N 1 3 325.456 2.599 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001039718417 1315912217 /nfs/dbraw/zinc/91/22/17/1315912217.db2.gz ZREKZCVSTRRXNO-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)CN1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001039718417 1315912218 /nfs/dbraw/zinc/91/22/18/1315912218.db2.gz ZREKZCVSTRRXNO-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001256244714 1315922396 /nfs/dbraw/zinc/92/23/96/1315922396.db2.gz BDEVBVXDMAABCR-ZWKOTPCHSA-N 1 3 337.508 2.946 20 0 EFADHO CCOC(=O)N1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001256244714 1315922400 /nfs/dbraw/zinc/92/24/00/1315922400.db2.gz BDEVBVXDMAABCR-ZWKOTPCHSA-N 1 3 337.508 2.946 20 0 EFADHO COc1ccc(C2(N)CC[NH+]([C@@H](C)Cc3ccccn3)CC2)cc1 ZINC001256407216 1315936221 /nfs/dbraw/zinc/93/62/21/1315936221.db2.gz LDLBIZUVLCSZGY-INIZCTEOSA-N 1 3 325.456 2.971 20 0 EFADHO C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471187 1315945630 /nfs/dbraw/zinc/94/56/30/1315945630.db2.gz HXUZBAMOSCIXBM-VVLHAWIVSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@H]1C[C@H]([N@H+]2C[C@H]3CCN(C)C[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC001256471187 1315945631 /nfs/dbraw/zinc/94/56/31/1315945631.db2.gz HXUZBAMOSCIXBM-VVLHAWIVSA-N 1 3 337.508 2.658 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCCCC2=O)CC[N@@H+]1Cc1ccccc1 ZINC001256520912 1315951258 /nfs/dbraw/zinc/95/12/58/1315951258.db2.gz WBLUJSPUTMQTMS-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO C[C@@H]1C[C@H](NCCN2CCCCC2=O)CC[N@H+]1Cc1ccccc1 ZINC001256520912 1315951261 /nfs/dbraw/zinc/95/12/61/1315951261.db2.gz WBLUJSPUTMQTMS-IEBWSBKVSA-N 1 3 329.488 2.642 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@@H]3CCN(Cc4ccccc4)[C@H](C)C3)C[C@H]2C1 ZINC001256558695 1315959395 /nfs/dbraw/zinc/95/93/95/1315959395.db2.gz UJJFQGGZPMYVGL-CWJKEVGVSA-N 1 3 327.516 2.923 20 0 EFADHO Cc1ncn(C2CCN(Cc3ccncc3)CC2)c1CSCC[NH3+] ZINC001256582541 1315963946 /nfs/dbraw/zinc/96/39/46/1315963946.db2.gz UBICKDPABIFEJL-UHFFFAOYSA-N 1 3 345.516 2.616 20 0 EFADHO c1cc(CN2CCC(N3CCCC[C@@H]3C[NH+]3CCCC3)CC2)ccn1 ZINC001256590117 1315965267 /nfs/dbraw/zinc/96/52/67/1315965267.db2.gz CVLOHRFEYNCQJY-OAQYLSRUSA-N 1 3 342.531 2.996 20 0 EFADHO c1cc(CN2CCC(N3CCC[C@@H]3C[NH+]3CCCC3)CC2)ccn1 ZINC001256593466 1315966170 /nfs/dbraw/zinc/96/61/70/1315966170.db2.gz SNCGRUCKNQPYEJ-HXUWFJFHSA-N 1 3 328.504 2.606 20 0 EFADHO CCOC(=O)c1coc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)N4C)CC2)n1 ZINC001256631451 1315973499 /nfs/dbraw/zinc/97/34/99/1315973499.db2.gz VUTCWFKWHVBZCY-XYPWUTKMSA-N 1 3 347.459 2.656 20 0 EFADHO COC(=O)C[C@H]([NH2+]C1CCC(N2CCOCC2)CC1)c1ccccc1 ZINC001256675636 1315979814 /nfs/dbraw/zinc/97/98/14/1315979814.db2.gz GNVVAEZQXAONET-ACBHZAAOSA-N 1 3 346.471 2.524 20 0 EFADHO Cn1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)c2ccccc21 ZINC001256678529 1315979996 /nfs/dbraw/zinc/97/99/96/1315979996.db2.gz XYIHGCGKNRLPKS-UHFFFAOYSA-N 1 3 327.472 2.911 20 0 EFADHO c1ccc2ncc(C[NH2+]C3CCC(N4CCOCC4)CC3)cc2c1 ZINC001256678562 1315980029 /nfs/dbraw/zinc/98/00/29/1315980029.db2.gz NZYMRNKNDKBCRA-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO Fc1cc(C[NH2+]C2CCC(N3CCOCC3)CC2)cc(F)c1F ZINC001256678564 1315980157 /nfs/dbraw/zinc/98/01/57/1315980157.db2.gz OCIITFSJCQUPLK-UHFFFAOYSA-N 1 3 328.378 2.837 20 0 EFADHO Fc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)CCO2 ZINC001256678193 1315980241 /nfs/dbraw/zinc/98/02/41/1315980241.db2.gz TYVJYZYLPGYMSB-LEOMRAHMSA-N 1 3 334.435 2.882 20 0 EFADHO Fc1cccc2c1OCC[C@@H]2[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256679844 1315980364 /nfs/dbraw/zinc/98/03/64/1315980364.db2.gz TZPGLLKEDNCYBW-JMLCCBQJSA-N 1 3 334.435 2.882 20 0 EFADHO CC1(C)CC([NH2+]C2CCC(N3CCOCC3)CC2)CC(C)(C)N1O ZINC001256679530 1315980443 /nfs/dbraw/zinc/98/04/43/1315980443.db2.gz NERNEVOGAORQKA-UHFFFAOYSA-N 1 3 339.524 2.630 20 0 EFADHO COc1c(F)ccc(C[NH2+]C2CCC(N3CCOCC3)CC2)c1F ZINC001256679417 1315980469 /nfs/dbraw/zinc/98/04/69/1315980469.db2.gz KCHVBGLJKRZQCH-UHFFFAOYSA-N 1 3 340.414 2.706 20 0 EFADHO CC(C)(C[NH2+]C1CCC(N2CCOCC2)CC1)c1ncccc1F ZINC001256681577 1315980700 /nfs/dbraw/zinc/98/07/00/1315980700.db2.gz XJWNZDIXXNUUIJ-UHFFFAOYSA-N 1 3 335.467 2.731 20 0 EFADHO COc1ccc(F)c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1F ZINC001256683113 1315981004 /nfs/dbraw/zinc/98/10/04/1315981004.db2.gz SDGOUMSFJVVWQP-UHFFFAOYSA-N 1 3 340.414 2.706 20 0 EFADHO C(C1CCCCC1)N1CC[C@H]([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256681576 1315981033 /nfs/dbraw/zinc/98/10/33/1315981033.db2.gz XGLMESWAJYDADZ-KBWCOIMZSA-N 1 3 349.563 2.874 20 0 EFADHO COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(N3CCOCC3)CC1)CC2 ZINC001256686790 1315981452 /nfs/dbraw/zinc/98/14/52/1315981452.db2.gz UTAFDQWRFSXXAR-GPJFCIFZSA-N 1 3 344.499 2.786 20 0 EFADHO c1ccc2c(c1)cncc2C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256686674 1315981615 /nfs/dbraw/zinc/98/16/15/1315981615.db2.gz BAPZZFJPLRGQLN-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO COc1ncccc1[C@@H]([NH2+]C1CCC(N2CCOCC2)CC1)C1CC1 ZINC001256687365 1315981691 /nfs/dbraw/zinc/98/16/91/1315981691.db2.gz SXUQGMKVJUSTFP-TVPLGVNVSA-N 1 3 345.487 2.774 20 0 EFADHO FC(F)(F)c1ncccc1C[NH2+]C1CCC(N2CCOCC2)CC1 ZINC001256683377 1315981700 /nfs/dbraw/zinc/98/17/00/1315981700.db2.gz ZBBLOQDSOKSUAB-UHFFFAOYSA-N 1 3 343.393 2.833 20 0 EFADHO COc1cccc2c1CC[C@H]([NH2+]C1CCC(N3CCOCC3)CC1)C2 ZINC001256683338 1315981760 /nfs/dbraw/zinc/98/17/60/1315981760.db2.gz XZOZUDYZHIKDEG-XBMUEBEBSA-N 1 3 344.499 2.786 20 0 EFADHO c1cc2ccncc2c(C[NH2+]C2CCC(N3CCOCC3)CC2)c1 ZINC001256686469 1315981771 /nfs/dbraw/zinc/98/17/71/1315981771.db2.gz QPNAMTQIJZBNLC-UHFFFAOYSA-N 1 3 325.456 2.968 20 0 EFADHO COc1ccc(CC[NH2+]C2CCC(N3CCOCC3)CC2)c(F)c1 ZINC001256684242 1315981779 /nfs/dbraw/zinc/98/17/79/1315981779.db2.gz OTALDMWSEZINOI-UHFFFAOYSA-N 1 3 336.451 2.610 20 0 EFADHO C1CCC([NH+]2CCN(C3CCC(N4CCOCC4)CC3)CC2)CC1 ZINC001256688624 1315982171 /nfs/dbraw/zinc/98/21/71/1315982171.db2.gz HPYMWCGUDKWKFU-UHFFFAOYSA-N 1 3 335.536 2.580 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039861033 1315986722 /nfs/dbraw/zinc/98/67/22/1315986722.db2.gz SPCAVDMCNGQKJZ-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC2CCC2)C1 ZINC001039861033 1315986727 /nfs/dbraw/zinc/98/67/27/1315986727.db2.gz SPCAVDMCNGQKJZ-AQNXPRMDSA-N 1 3 347.547 2.974 20 0 EFADHO Cc1nc([C@H]2CCCN(C3CCN(c4cc[nH+]cc4)CC3)C2)no1 ZINC001256855569 1315999615 /nfs/dbraw/zinc/99/96/15/1315999615.db2.gz PELZSISFOLDUJU-HNNXBMFYSA-N 1 3 327.432 2.621 20 0 EFADHO CC1([NH3+])CCN(C2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC001256883910 1316004322 /nfs/dbraw/zinc/00/43/22/1316004322.db2.gz QQFGVENICICPFR-UHFFFAOYSA-N 1 3 342.409 2.882 20 0 EFADHO CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCC(N3CCC(F)CC3)CC2)C1 ZINC001257057688 1316027414 /nfs/dbraw/zinc/02/74/14/1316027414.db2.gz FAKSIHIFBNZENQ-PBHICJAKSA-N 1 3 326.456 2.617 20 0 EFADHO CCOC(=O)c1ccc(C[C@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001257167310 1316042591 /nfs/dbraw/zinc/04/25/91/1316042591.db2.gz NTTWXDUDBVSOPY-INIZCTEOSA-N 1 3 330.472 2.822 20 0 EFADHO CCOC(=O)c1ccc(C[C@@H](C)[NH+]2CCC3(CN(C)C3)CC2)cc1 ZINC001257167311 1316042743 /nfs/dbraw/zinc/04/27/43/1316042743.db2.gz NTTWXDUDBVSOPY-MRXNPFEDSA-N 1 3 330.472 2.822 20 0 EFADHO CC(C)[NH+]1CCC(N[C@@H]2C=C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001257213218 1316046921 /nfs/dbraw/zinc/04/69/21/1316046921.db2.gz IBSVZBRXNNNTBL-CGTJXYLNSA-N 1 3 349.519 2.870 20 0 EFADHO COC(=O)[C@@H]1CN(C2CC[NH+](C(C)C)CC2)C[C@H]1c1ccccc1 ZINC001257223186 1316049038 /nfs/dbraw/zinc/04/90/38/1316049038.db2.gz MGILUKKOXAKQJN-RBUKOAKNSA-N 1 3 330.472 2.748 20 0 EFADHO CC(C)[NH+]1CCC(N2CCC3(CC(=O)N(CC4CC4)C3)CC2)CC1 ZINC001257223238 1316049210 /nfs/dbraw/zinc/04/92/10/1316049210.db2.gz NQBSPHZNVIMBBU-UHFFFAOYSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC1CC1)[NH+]1CCCC1 ZINC001040017184 1316056331 /nfs/dbraw/zinc/05/63/31/1316056331.db2.gz ADSNELPRRVADGN-ZCNNSNEGSA-N 1 3 347.547 2.972 20 0 EFADHO CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257388687 1316060825 /nfs/dbraw/zinc/06/08/25/1316060825.db2.gz SKHZZGOILHFYLR-BZSNNMDCSA-N 1 3 340.508 2.731 20 0 EFADHO CCCCOC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001257388688 1316060877 /nfs/dbraw/zinc/06/08/77/1316060877.db2.gz SKHZZGOILHFYLR-KZNAEPCWSA-N 1 3 340.508 2.731 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@@H+](C2CCN([C@@H]3CCCSC3)CC2)C1 ZINC001257671168 1316083803 /nfs/dbraw/zinc/08/38/03/1316083803.db2.gz MDNNZBWIWKNJPV-DOTOQJQBSA-N 1 3 340.533 2.622 20 0 EFADHO CCOC(=O)[C@H]1CCC[N@H+](C2CCN([C@@H]3CCCSC3)CC2)C1 ZINC001257671168 1316083805 /nfs/dbraw/zinc/08/38/05/1316083805.db2.gz MDNNZBWIWKNJPV-DOTOQJQBSA-N 1 3 340.533 2.622 20 0 EFADHO COC(=O)C1CCC([NH2+]CC2CCN(Cc3ccccn3)CC2)CC1 ZINC001257856752 1316097516 /nfs/dbraw/zinc/09/75/16/1316097516.db2.gz MTEHWNSDHYVSNM-UHFFFAOYSA-N 1 3 345.487 2.615 20 0 EFADHO CC(C)CN1CCC([NH2+][C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC001258001664 1316108329 /nfs/dbraw/zinc/10/83/29/1316108329.db2.gz ZOVITJCQMKWDPL-KXBFYZLASA-N 1 3 337.508 2.706 20 0 EFADHO CN(C)CCN1CC[N@@H+](C2CCC(c3ccccc3)CC2)CCC1=O ZINC001257998831 1316108494 /nfs/dbraw/zinc/10/84/94/1316108494.db2.gz TXSKOLBCAPSTEB-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO CN(C)CCN1CC[N@H+](C2CCC(c3ccccc3)CC2)CCC1=O ZINC001257998831 1316108495 /nfs/dbraw/zinc/10/84/95/1316108495.db2.gz TXSKOLBCAPSTEB-UHFFFAOYSA-N 1 3 343.515 2.809 20 0 EFADHO CC(C)CN1CCC([NH2+][C@H]2CCN(C(=O)c3cccc(F)c3)C2)CC1 ZINC001258008116 1316109740 /nfs/dbraw/zinc/10/97/40/1316109740.db2.gz FLYIOVTUQSHLRY-IBGZPJMESA-N 1 3 347.478 2.750 20 0 EFADHO CC(C)CN1CCC([N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001258014407 1316110516 /nfs/dbraw/zinc/11/05/16/1316110516.db2.gz JHVBAFQKCGFVBI-FQEVSTJZSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)CN1CCC([N@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)CC1 ZINC001258014407 1316110518 /nfs/dbraw/zinc/11/05/18/1316110518.db2.gz JHVBAFQKCGFVBI-FQEVSTJZSA-N 1 3 335.536 2.830 20 0 EFADHO Oc1cccc([C@@H](O)CNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001258136047 1316123984 /nfs/dbraw/zinc/12/39/84/1316123984.db2.gz YSHJOKHIASVNQK-NRFANRHFSA-N 1 3 340.467 2.722 20 0 EFADHO c1ccc(CC[NH+]2CCC(N3CCN(C4CCC4)CC3)CC2)cc1 ZINC001258141250 1316124347 /nfs/dbraw/zinc/12/43/47/1316124347.db2.gz WVDBYNSYJIOHSJ-UHFFFAOYSA-N 1 3 327.516 2.864 20 0 EFADHO C[C@H](Cc1ccco1)N1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001258186874 1316128779 /nfs/dbraw/zinc/12/87/79/1316128779.db2.gz AWVUSJMULVSRPA-YVWKXTFCSA-N 1 3 332.488 2.891 20 0 EFADHO C[C@H](Cc1ccco1)N1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001258186874 1316128781 /nfs/dbraw/zinc/12/87/81/1316128781.db2.gz AWVUSJMULVSRPA-YVWKXTFCSA-N 1 3 332.488 2.891 20 0 EFADHO COC(=O)CC[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001258350550 1316142038 /nfs/dbraw/zinc/14/20/38/1316142038.db2.gz BAYLEZDXBWUILL-GDAAHCPNSA-N 1 3 330.472 2.828 20 0 EFADHO CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040206880 1316143568 /nfs/dbraw/zinc/14/35/68/1316143568.db2.gz ZOOKONQEGFTDON-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO CCC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001040206880 1316143572 /nfs/dbraw/zinc/14/35/72/1316143572.db2.gz ZOOKONQEGFTDON-FQEVSTJZSA-N 1 3 335.536 2.975 20 0 EFADHO COC(=O)CC[C@H](C)[N@@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258376878 1316146412 /nfs/dbraw/zinc/14/64/12/1316146412.db2.gz LQCFJLKYBIOXIC-WDSOQIARSA-N 1 3 330.472 2.782 20 0 EFADHO COC(=O)CC[C@H](C)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258376878 1316146413 /nfs/dbraw/zinc/14/64/13/1316146413.db2.gz LQCFJLKYBIOXIC-WDSOQIARSA-N 1 3 330.472 2.782 20 0 EFADHO COc1ccc(CC[C@@H](C)N2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001258408689 1316149217 /nfs/dbraw/zinc/14/92/17/1316149217.db2.gz LEHUMLNHNLAHBN-GOSISDBHSA-N 1 3 333.520 2.586 20 0 EFADHO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001258447777 1316151181 /nfs/dbraw/zinc/15/11/81/1316151181.db2.gz XIXQAPKJZSLHIF-VQIMIIECSA-N 1 3 343.515 2.580 20 0 EFADHO c1ccc(N2CCC([NH2+][C@H]3CC[C@H](N4CCOCC4)CC3)CC2)cc1 ZINC001258508074 1316157887 /nfs/dbraw/zinc/15/78/87/1316157887.db2.gz ZWNDOZKQBBHQDL-XGAFWQRZSA-N 1 3 343.515 2.888 20 0 EFADHO CC[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236755 1316158187 /nfs/dbraw/zinc/15/81/87/1316158187.db2.gz PAZWCKDZVSHAMC-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040236755 1316158188 /nfs/dbraw/zinc/15/81/88/1316158188.db2.gz PAZWCKDZVSHAMC-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240758 1316160152 /nfs/dbraw/zinc/16/01/52/1316160152.db2.gz JBAMVSGAWDSDHZ-ICSRJNTNSA-N 1 3 333.520 2.607 20 0 EFADHO CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)N(C)C)C2)C1 ZINC001040240758 1316160155 /nfs/dbraw/zinc/16/01/55/1316160155.db2.gz JBAMVSGAWDSDHZ-ICSRJNTNSA-N 1 3 333.520 2.607 20 0 EFADHO CC1CC(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001040240860 1316160856 /nfs/dbraw/zinc/16/08/56/1316160856.db2.gz KBKDNVBRPHLZEC-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO CC1CC(C[N@H+]2CCC[C@]3(CCN(C(=O)C4(N(C)C)CCC4)C3)C2)C1 ZINC001040240860 1316160859 /nfs/dbraw/zinc/16/08/59/1316160859.db2.gz KBKDNVBRPHLZEC-QLOJAFMTSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241741 1316161152 /nfs/dbraw/zinc/16/11/52/1316161152.db2.gz SJNSLLOGRHUBEZ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001040241741 1316161154 /nfs/dbraw/zinc/16/11/54/1316161154.db2.gz SJNSLLOGRHUBEZ-IBGZPJMESA-N 1 3 335.536 2.831 20 0 EFADHO CN1CCC[C@H]1CC[NH2+][C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC001258570766 1316163773 /nfs/dbraw/zinc/16/37/73/1316163773.db2.gz STLYSKUWKBQAPV-OALUTQOASA-N 1 3 329.488 2.642 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2)N(C)C ZINC001040250173 1316165653 /nfs/dbraw/zinc/16/56/53/1316165653.db2.gz MCCCZQUNMVBCMY-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2)N(C)C ZINC001040250173 1316165656 /nfs/dbraw/zinc/16/56/56/1316165656.db2.gz MCCCZQUNMVBCMY-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCC1)C2)N(C)C ZINC001040261016 1316171316 /nfs/dbraw/zinc/17/13/16/1316171316.db2.gz KIUKPIYGUTVWII-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2)N(C)C ZINC001040261016 1316171318 /nfs/dbraw/zinc/17/13/18/1316171318.db2.gz KIUKPIYGUTVWII-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCCN1CCC([NH2+][C@H]2CCN(Cc3ccc(OC)cc3)C2)CC1 ZINC001258770213 1316176120 /nfs/dbraw/zinc/17/61/20/1316176120.db2.gz URHNZNGICMXUFJ-IBGZPJMESA-N 1 3 331.504 2.734 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 ZINC001258772873 1316176625 /nfs/dbraw/zinc/17/66/25/1316176625.db2.gz ZOHUJOMGDJHRMX-NVXWUHKLSA-N 1 3 337.508 2.802 20 0 EFADHO CCCN1CCC([NH+]2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)CC1 ZINC001258772867 1316177015 /nfs/dbraw/zinc/17/70/15/1316177015.db2.gz ZMJZVGWPOWXLTC-IRXDYDNUSA-N 1 3 333.545 2.986 20 0 EFADHO CCCN1CCC([NH+]2CCC(c3nc(C(=O)OCC)co3)CC2)CC1 ZINC001258777266 1316178222 /nfs/dbraw/zinc/17/82/22/1316178222.db2.gz OLHJDTVMEAFXSD-UHFFFAOYSA-N 1 3 349.475 2.905 20 0 EFADHO CCC[NH+]1CCC(N2C[C@H](C(=O)OC)[C@H](c3ccccc3)C2)CC1 ZINC001258777944 1316178345 /nfs/dbraw/zinc/17/83/45/1316178345.db2.gz OLHYQWKUEWFXQY-OALUTQOASA-N 1 3 330.472 2.749 20 0 EFADHO CC[C@H](C)C[C@H](CC)[N@@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792602 1316179327 /nfs/dbraw/zinc/17/93/27/1316179327.db2.gz HMLQAEJZNYMIQB-RDJZCZTQSA-N 1 3 334.508 2.725 20 0 EFADHO CC[C@H](C)C[C@H](CC)[N@H+]1CCCn2c(=O)cc(CN(C)C)nc2C1 ZINC001258792602 1316179330 /nfs/dbraw/zinc/17/93/30/1316179330.db2.gz HMLQAEJZNYMIQB-RDJZCZTQSA-N 1 3 334.508 2.725 20 0 EFADHO CCN(CC)CCC[NH2+][C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258853571 1316185016 /nfs/dbraw/zinc/18/50/16/1316185016.db2.gz SMUHJSFEWQFZPK-HNNXBMFYSA-N 1 3 338.492 2.965 20 0 EFADHO CCN1C[C@@H]2C[NH+]([C@@H](C)Cc3cc(OC)c(OC)c(OC)c3)C[C@H]2C1 ZINC001258875556 1316187008 /nfs/dbraw/zinc/18/70/08/1316187008.db2.gz DZXZRIVOTHNPBF-USXIJHARSA-N 1 3 348.487 2.527 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CC1)C2 ZINC001040397082 1316242424 /nfs/dbraw/zinc/24/24/24/1316242424.db2.gz XVUAGCULXBXVEM-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001040397082 1316242427 /nfs/dbraw/zinc/24/24/27/1316242427.db2.gz XVUAGCULXBXVEM-XLIONFOSSA-N 1 3 333.520 2.585 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040430348 1316260261 /nfs/dbraw/zinc/26/02/61/1316260261.db2.gz BFYRCMNEGMTFQF-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001040430348 1316260263 /nfs/dbraw/zinc/26/02/63/1316260263.db2.gz BFYRCMNEGMTFQF-PZJWPPBQSA-N 1 3 347.547 2.974 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530814 1316310374 /nfs/dbraw/zinc/31/03/74/1316310374.db2.gz JOKXKPPJPGUJIP-HKUYNNGSSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC001040530814 1316310375 /nfs/dbraw/zinc/31/03/75/1316310375.db2.gz JOKXKPPJPGUJIP-HKUYNNGSSA-N 1 3 347.528 2.514 20 0 EFADHO CCC[NH+]1CCC2(CCN(C(=O)C(C)(C)N3CCCCC3)C2)CC1 ZINC001040703379 1316355178 /nfs/dbraw/zinc/35/51/78/1316355178.db2.gz CRVSZYJCNGFNPA-UHFFFAOYSA-N 1 3 335.536 2.975 20 0 EFADHO CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@H](C(C)C)N(C)C)C2)CC1 ZINC001040735125 1316362907 /nfs/dbraw/zinc/36/29/07/1316362907.db2.gz KBZVGNNHJCTYRP-ROUUACIJSA-N 1 3 337.552 2.933 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001040848583 1316388563 /nfs/dbraw/zinc/38/85/63/1316388563.db2.gz LJSWFQNWCCMKSW-GOSISDBHSA-N 1 3 347.547 2.975 20 0 EFADHO CC1CC(C[NH+]2CCC3(CCN(C(=O)CN4CCC[C@@H]4C)C3)CC2)C1 ZINC001040849716 1316388882 /nfs/dbraw/zinc/38/88/82/1316388882.db2.gz UWBVWJZGWRLKLM-XBMUEBEBSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC3(C2)CC[NH+](CC2CCCC2)CC3)C1 ZINC001040848127 1316388976 /nfs/dbraw/zinc/38/89/76/1316388976.db2.gz DOZSNVNAAWOSKO-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001040869541 1316392978 /nfs/dbraw/zinc/39/29/78/1316392978.db2.gz JRHKCOJDBPKJHO-UHFFFAOYSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)(C)CC[NH+]1CCC2(CCN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001040870126 1316393060 /nfs/dbraw/zinc/39/30/60/1316393060.db2.gz VAHLASSAOMMKHS-UHFFFAOYSA-N 1 3 332.492 2.703 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001040870843 1316393536 /nfs/dbraw/zinc/39/35/36/1316393536.db2.gz YBHIVVHLOGIAKS-UHFFFAOYSA-N 1 3 342.487 2.767 20 0 EFADHO CC(C)=CC[NH+]1CCC2(CCN(C(=O)CN3CCC(C)CC3)C2)CC1 ZINC001040894003 1316399110 /nfs/dbraw/zinc/39/91/10/1316399110.db2.gz GAIGDPOLQQSSNE-UHFFFAOYSA-N 1 3 347.547 2.999 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2 ZINC001040953873 1316410427 /nfs/dbraw/zinc/41/04/27/1316410427.db2.gz SRYJIXRYUBFDJS-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCC1CC1)CC2 ZINC001040953531 1316410470 /nfs/dbraw/zinc/41/04/70/1316410470.db2.gz OZIDPIJOVLSPIR-LJQANCHMSA-N 1 3 347.547 2.975 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](Cc1cc(C)ccc1C)C2)N(C)C ZINC001072991435 1316427533 /nfs/dbraw/zinc/42/75/33/1316427533.db2.gz VJEBHWOXMMSRMT-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](Cc1cc(C)ccc1C)C2)N(C)C ZINC001072991435 1316427536 /nfs/dbraw/zinc/42/75/36/1316427536.db2.gz VJEBHWOXMMSRMT-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C/C=C/c1ccccc1)C2)N(C)C ZINC001072990917 1316427713 /nfs/dbraw/zinc/42/77/13/1316427713.db2.gz HWWZHZFUSWOIRJ-BLRBJFNZSA-N 1 3 341.499 2.574 20 0 EFADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C/C=C/c1ccccc1)C2)N(C)C ZINC001072990917 1316427715 /nfs/dbraw/zinc/42/77/15/1316427715.db2.gz HWWZHZFUSWOIRJ-BLRBJFNZSA-N 1 3 341.499 2.574 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cc1 ZINC001074564931 1316525290 /nfs/dbraw/zinc/52/52/90/1316525290.db2.gz JZTLDGZDROPVRG-VDGAXYAQSA-N 1 3 343.515 2.812 20 0 EFADHO Cc1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)c(C)s1 ZINC001074564876 1316525519 /nfs/dbraw/zinc/52/55/19/1316525519.db2.gz IBSYQMZORBEDAJ-RRQGHBQHSA-N 1 3 335.517 2.538 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357131 1316526076 /nfs/dbraw/zinc/52/60/76/1316526076.db2.gz DTSUUTLCAZIHNG-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1)C1CC1 ZINC001041357131 1316526079 /nfs/dbraw/zinc/52/60/79/1316526079.db2.gz DTSUUTLCAZIHNG-TZIWHRDSSA-N 1 3 347.547 2.831 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1)C1CCC1 ZINC001041356842 1316526213 /nfs/dbraw/zinc/52/62/13/1316526213.db2.gz BVHKTLJMFGYTEY-LJQANCHMSA-N 1 3 347.528 2.657 20 0 EFADHO CN(CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1)C1CCC1 ZINC001041356842 1316526215 /nfs/dbraw/zinc/52/62/15/1316526215.db2.gz BVHKTLJMFGYTEY-LJQANCHMSA-N 1 3 347.528 2.657 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358198 1316527154 /nfs/dbraw/zinc/52/71/54/1316527154.db2.gz LUTTTXGHNVFDEW-FPOVZHCZSA-N 1 3 345.531 2.751 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3=CCCCC3)C2)C1)C1CC1 ZINC001041358198 1316527155 /nfs/dbraw/zinc/52/71/55/1316527155.db2.gz LUTTTXGHNVFDEW-FPOVZHCZSA-N 1 3 345.531 2.751 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359158 1316528191 /nfs/dbraw/zinc/52/81/91/1316528191.db2.gz SOISRWQFDAVYCI-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001041359158 1316528194 /nfs/dbraw/zinc/52/81/94/1316528194.db2.gz SOISRWQFDAVYCI-HXUWFJFHSA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041377702 1316532348 /nfs/dbraw/zinc/53/23/48/1316532348.db2.gz DOWKJWVGHKINOC-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1)N(C)C ZINC001041377702 1316532352 /nfs/dbraw/zinc/53/23/52/1316532352.db2.gz DOWKJWVGHKINOC-ICSRJNTNSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001074878476 1316539035 /nfs/dbraw/zinc/53/90/35/1316539035.db2.gz YUBNWOXTXHEHQE-QOKNQOGYSA-N 1 3 347.478 2.555 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC001074877918 1316539291 /nfs/dbraw/zinc/53/92/91/1316539291.db2.gz RTZMSUNHMUEDCM-VKJFTORMSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001074877768 1316539452 /nfs/dbraw/zinc/53/94/52/1316539452.db2.gz LELLJDCAIMZZPZ-VKJFTORMSA-N 1 3 349.906 2.903 20 0 EFADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H](NCc2ccccc2Cl)[C@@H]1C ZINC001074877768 1316539454 /nfs/dbraw/zinc/53/94/54/1316539454.db2.gz LELLJDCAIMZZPZ-VKJFTORMSA-N 1 3 349.906 2.903 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001074878198 1316539522 /nfs/dbraw/zinc/53/95/22/1316539522.db2.gz GAGUCOKAWAIFGD-ALKREAHSSA-N 1 3 347.478 2.555 20 0 EFADHO CC[C@@H](F)CN1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537264 1316581030 /nfs/dbraw/zinc/58/10/30/1316581030.db2.gz URCREBNCOBSWBE-VQIMIIECSA-N 1 3 339.499 2.533 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674175 1316643942 /nfs/dbraw/zinc/64/39/42/1316643942.db2.gz ITBGNNPJXHDQAN-UWJYYQICSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CC3CC(C)(C)C3)C2)C1 ZINC001041674175 1316643944 /nfs/dbraw/zinc/64/39/44/1316643944.db2.gz ITBGNNPJXHDQAN-UWJYYQICSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC001041674858 1316644568 /nfs/dbraw/zinc/64/45/68/1316644568.db2.gz LVCRNVBKSFVWPH-QFBILLFUSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001041674858 1316644570 /nfs/dbraw/zinc/64/45/70/1316644570.db2.gz LVCRNVBKSFVWPH-QFBILLFUSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC001041674861 1316644598 /nfs/dbraw/zinc/64/45/98/1316644598.db2.gz LVCRNVBKSFVWPH-VQIMIIECSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC001041674861 1316644600 /nfs/dbraw/zinc/64/46/00/1316644600.db2.gz LVCRNVBKSFVWPH-VQIMIIECSA-N 1 3 347.528 2.657 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001041675313 1316644791 /nfs/dbraw/zinc/64/47/91/1316644791.db2.gz OWAGAVOTSKXEBR-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001041675313 1316644794 /nfs/dbraw/zinc/64/47/94/1316644794.db2.gz OWAGAVOTSKXEBR-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001041676188 1316644955 /nfs/dbraw/zinc/64/49/55/1316644955.db2.gz WAROYOVWGJIEFN-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001041676188 1316644958 /nfs/dbraw/zinc/64/49/58/1316644958.db2.gz WAROYOVWGJIEFN-GHTZIAJQSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001041676492 1316645484 /nfs/dbraw/zinc/64/54/84/1316645484.db2.gz XQKUJRGGPDCDEP-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001041676492 1316645485 /nfs/dbraw/zinc/64/54/85/1316645485.db2.gz XQKUJRGGPDCDEP-RXVVDRJESA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001041676795 1316645492 /nfs/dbraw/zinc/64/54/92/1316645492.db2.gz ZSBGNTWWJQDHSI-GHTZIAJQSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC[C@@]2(CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001041676795 1316645493 /nfs/dbraw/zinc/64/54/93/1316645493.db2.gz ZSBGNTWWJQDHSI-GHTZIAJQSA-N 1 3 345.531 2.896 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679571 1316646183 /nfs/dbraw/zinc/64/61/83/1316646183.db2.gz NVWWLRYUNNRUDG-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679571 1316646186 /nfs/dbraw/zinc/64/61/86/1316646186.db2.gz NVWWLRYUNNRUDG-NQIIRXRSSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679573 1316646503 /nfs/dbraw/zinc/64/65/03/1316646503.db2.gz NVWWLRYUNNRUDG-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCC4CCCC4)C3)C2)C1 ZINC001041679573 1316646505 /nfs/dbraw/zinc/64/65/05/1316646505.db2.gz NVWWLRYUNNRUDG-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681222 1316646728 /nfs/dbraw/zinc/64/67/28/1316646728.db2.gz ZGEBKXSLQZKUGV-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@]3(CC[N@@H+](CCCC4CCC4)C3)C2)C1 ZINC001041681222 1316646731 /nfs/dbraw/zinc/64/67/31/1316646731.db2.gz ZGEBKXSLQZKUGV-RXVVDRJESA-N 1 3 347.547 2.833 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041681039 1316647017 /nfs/dbraw/zinc/64/70/17/1316647017.db2.gz WUTVYEMIENNXGP-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@]2(CCN(C(=O)CN3CC[C@@H](C)C3)C2)C1 ZINC001041681039 1316647019 /nfs/dbraw/zinc/64/70/19/1316647019.db2.gz WUTVYEMIENNXGP-XLIONFOSSA-N 1 3 335.536 2.689 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041687839 1316648250 /nfs/dbraw/zinc/64/82/50/1316648250.db2.gz RVUMQOLXPHKXQC-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1)N(C)C ZINC001041687839 1316648251 /nfs/dbraw/zinc/64/82/51/1316648251.db2.gz RVUMQOLXPHKXQC-AZUAARDMSA-N 1 3 335.536 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041688325 1316648283 /nfs/dbraw/zinc/64/82/83/1316648283.db2.gz UNNOEKNYPKKUHC-GHTZIAJQSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC4(CCC4)C3)C2)C1)N(C)C ZINC001041688325 1316648285 /nfs/dbraw/zinc/64/82/85/1316648285.db2.gz UNNOEKNYPKKUHC-GHTZIAJQSA-N 1 3 347.547 2.831 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041693580 1316650037 /nfs/dbraw/zinc/65/00/37/1316650037.db2.gz UBKVIVQBILICBT-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1)N(C)C ZINC001041693580 1316650039 /nfs/dbraw/zinc/65/00/39/1316650039.db2.gz UBKVIVQBILICBT-PZJWPPBQSA-N 1 3 343.515 2.760 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001041712832 1316657917 /nfs/dbraw/zinc/65/79/17/1316657917.db2.gz XPLZBIXSLJVYJP-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CC[C@]2(CC[N@@H+](CC3CCCCCC3)C2)C1 ZINC001041712832 1316657920 /nfs/dbraw/zinc/65/79/20/1316657920.db2.gz XPLZBIXSLJVYJP-FQEVSTJZSA-N 1 3 344.503 2.847 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001041723396 1316666002 /nfs/dbraw/zinc/66/60/02/1316666002.db2.gz HNDFGVXBNBEKMW-PKOBYXMFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041723396 1316666004 /nfs/dbraw/zinc/66/60/04/1316666004.db2.gz HNDFGVXBNBEKMW-PKOBYXMFSA-N 1 3 339.499 2.533 20 0 EFADHO CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757522 1316683206 /nfs/dbraw/zinc/68/32/06/1316683206.db2.gz XVBNLFFFCNQNAQ-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757522 1316683208 /nfs/dbraw/zinc/68/32/08/1316683208.db2.gz XVBNLFFFCNQNAQ-HXUWFJFHSA-N 1 3 335.536 2.689 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757001 1316683303 /nfs/dbraw/zinc/68/33/03/1316683303.db2.gz OIQNCFUJSZDVHR-FQEVSTJZSA-N 1 3 333.520 2.609 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001041757001 1316683306 /nfs/dbraw/zinc/68/33/06/1316683306.db2.gz OIQNCFUJSZDVHR-FQEVSTJZSA-N 1 3 333.520 2.609 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041844599 1316730506 /nfs/dbraw/zinc/73/05/06/1316730506.db2.gz ACMTXGGFIDIYEZ-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC(C)C)C2)C1 ZINC001041844599 1316730509 /nfs/dbraw/zinc/73/05/09/1316730509.db2.gz ACMTXGGFIDIYEZ-QUCCMNQESA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844499 1316730886 /nfs/dbraw/zinc/73/08/86/1316730886.db2.gz JRGZKWIVSFTYKR-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CCC[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(CN(C)C)c3)C2)C1 ZINC001041844499 1316730887 /nfs/dbraw/zinc/73/08/87/1316730887.db2.gz JRGZKWIVSFTYKR-FQEVSTJZSA-N 1 3 329.488 2.696 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@H+](CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001042062548 1316852817 /nfs/dbraw/zinc/85/28/17/1316852817.db2.gz MTSYJTABAXDZRZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@@H]2CC[N@@H+](CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001042062548 1316852820 /nfs/dbraw/zinc/85/28/20/1316852820.db2.gz MTSYJTABAXDZRZ-OALUTQOASA-N 1 3 347.547 2.974 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@H+](CC3CCC3)[C@@H]2C1)N1CCCC1 ZINC001042186201 1316939599 /nfs/dbraw/zinc/93/95/99/1316939599.db2.gz FBCPBCHWPVARAB-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO CC(C)(C(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2C1)N1CCCC1 ZINC001042186201 1316939601 /nfs/dbraw/zinc/93/96/01/1316939601.db2.gz FBCPBCHWPVARAB-QZTJIDSGSA-N 1 3 333.520 2.584 20 0 EFADHO C[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(Cc4ccsc4)[C@@H]3C2)CC1 ZINC001042213229 1316964725 /nfs/dbraw/zinc/96/47/25/1316964725.db2.gz DVUFKXVVTBCNIP-FUHWJXTLSA-N 1 3 347.528 2.513 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001042369301 1317225481 /nfs/dbraw/zinc/22/54/81/1317225481.db2.gz WDHOFXYCQDJEAJ-PXNSSMCTSA-N 1 3 341.499 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001042369301 1317225491 /nfs/dbraw/zinc/22/54/91/1317225491.db2.gz WDHOFXYCQDJEAJ-PXNSSMCTSA-N 1 3 341.499 2.695 20 0 EFADHO c1cn(CCN2CC3(C2)CC[NH+](Cc2cccc4[nH]ccc42)CC3)cn1 ZINC001279369606 1317248507 /nfs/dbraw/zinc/24/85/07/1317248507.db2.gz VNHUYJRZMFDBOY-UHFFFAOYSA-N 1 3 349.482 2.962 20 0 EFADHO CCc1ccccc1C[N@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001279676035 1317356656 /nfs/dbraw/zinc/35/66/56/1317356656.db2.gz UDIWWDNTDFYYIF-FQEVSTJZSA-N 1 3 343.515 2.838 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC=C(CNC(=O)[C@H](CC)N(C)C)CC1 ZINC001279676035 1317356665 /nfs/dbraw/zinc/35/66/65/1317356665.db2.gz UDIWWDNTDFYYIF-FQEVSTJZSA-N 1 3 343.515 2.838 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCc1cccc(C)c1)N(C)C ZINC001319124773 1328784660 /nfs/dbraw/zinc/78/46/60/1328784660.db2.gz RSAYMHMCOOLGBB-UXHICEINSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cnc2ccccc2c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001319211975 1328808843 /nfs/dbraw/zinc/80/88/43/1328808843.db2.gz AQYSPPDJMOBELH-MRXNPFEDSA-N 1 3 325.456 2.878 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1)N(C)C ZINC001319788492 1328989289 /nfs/dbraw/zinc/98/92/89/1328989289.db2.gz OOZCKMZVJCDSCO-OALUTQOASA-N 1 3 331.504 2.888 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)c1 ZINC001491579474 1323721234 /nfs/dbraw/zinc/72/12/34/1323721234.db2.gz LQFHXKUHFIELRM-QGZVFWFLSA-N 1 3 333.520 2.876 20 0 EFADHO CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)CN(C)CC(C)(C)C ZINC001491580557 1323722640 /nfs/dbraw/zinc/72/26/40/1323722640.db2.gz UTRNLWAYMICJTG-INIZCTEOSA-N 1 3 333.520 2.821 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccc(Cl)cc1)N(C)C ZINC001491582712 1323723203 /nfs/dbraw/zinc/72/32/03/1323723203.db2.gz GKTOLUITWSUYNG-FRAJWHGFSA-N 1 3 337.895 2.788 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)NCc2cccc(F)c2)CC1 ZINC001491622775 1323755494 /nfs/dbraw/zinc/75/54/94/1323755494.db2.gz HNPXQJTWQGHTNR-OAHLLOKOSA-N 1 3 335.467 2.540 20 0 EFADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(Cl)s1 ZINC001491683759 1323788969 /nfs/dbraw/zinc/78/89/69/1323788969.db2.gz TVCIEOZZOBULGM-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C(Cl)=C/Cl)C2)CCC1 ZINC001491874566 1323978047 /nfs/dbraw/zinc/97/80/47/1323978047.db2.gz OUTANOJIWWYAGT-WXLZEUHASA-N 1 3 348.318 2.807 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001492251853 1324377672 /nfs/dbraw/zinc/37/76/72/1324377672.db2.gz YXZWEZCBYKBCJF-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001492251853 1324377679 /nfs/dbraw/zinc/37/76/79/1324377679.db2.gz YXZWEZCBYKBCJF-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492256368 1324381348 /nfs/dbraw/zinc/38/13/48/1324381348.db2.gz BKWWXCIJVBIQGE-RHSMWYFYSA-N 1 3 337.895 2.537 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001492256368 1324381356 /nfs/dbraw/zinc/38/13/56/1324381356.db2.gz BKWWXCIJVBIQGE-RHSMWYFYSA-N 1 3 337.895 2.537 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001492315790 1324415870 /nfs/dbraw/zinc/41/58/70/1324415870.db2.gz FYAUCCBRJIHFNT-IEBWSBKVSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@H](C)c1ccccc1 ZINC001492315790 1324415873 /nfs/dbraw/zinc/41/58/73/1324415873.db2.gz FYAUCCBRJIHFNT-IEBWSBKVSA-N 1 3 331.504 2.916 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1)N(C)C ZINC001321714297 1329404563 /nfs/dbraw/zinc/40/45/63/1329404563.db2.gz XGYGLHKIVPUICL-PBHICJAKSA-N 1 3 339.911 2.563 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCCF)C1 ZINC001380991069 1348010338 /nfs/dbraw/zinc/01/03/38/1348010338.db2.gz UEKBLFKJOCGMLO-ROUUACIJSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+](CCCF)C1 ZINC001380991069 1348010339 /nfs/dbraw/zinc/01/03/39/1348010339.db2.gz UEKBLFKJOCGMLO-ROUUACIJSA-N 1 3 341.515 2.781 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC001381287345 1348188319 /nfs/dbraw/zinc/18/83/19/1348188319.db2.gz CIEQCLFEKLOOMI-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1 ZINC001381287345 1348188325 /nfs/dbraw/zinc/18/83/25/1348188325.db2.gz CIEQCLFEKLOOMI-IBGZPJMESA-N 1 3 331.504 2.760 20 0 EFADHO C[N@H+](CCCc1ccccc1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381292625 1348192781 /nfs/dbraw/zinc/19/27/81/1348192781.db2.gz CALOLIXRHQTYNB-LJQANCHMSA-N 1 3 340.471 2.508 20 0 EFADHO C[N@@H+](CCCc1ccccc1)C[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC001381292625 1348192784 /nfs/dbraw/zinc/19/27/84/1348192784.db2.gz CALOLIXRHQTYNB-LJQANCHMSA-N 1 3 340.471 2.508 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1)N(C)C ZINC001381468484 1348294627 /nfs/dbraw/zinc/29/46/27/1348294627.db2.gz KSNSIKLQRUGPMA-KRWDZBQOSA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001381572204 1348369064 /nfs/dbraw/zinc/36/90/64/1348369064.db2.gz HZESOKLHLWLNRQ-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC2)N(C)C ZINC001381572204 1348369066 /nfs/dbraw/zinc/36/90/66/1348369066.db2.gz HZESOKLHLWLNRQ-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO C[NH+](C)CCCOc1ccc(NC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001326408745 1329753879 /nfs/dbraw/zinc/75/38/79/1329753879.db2.gz MQSFUYLQXNJUCY-GOSISDBHSA-N 1 3 333.476 2.863 20 0 EFADHO CN(C)Cc1cccc(C(=O)N(C)[C@H](C[NH2+]CC2CCC2)C2CC2)c1 ZINC001382038299 1348677942 /nfs/dbraw/zinc/67/79/42/1348677942.db2.gz LYMQJGIDDGDOHZ-HXUWFJFHSA-N 1 3 343.515 2.989 20 0 EFADHO CCC(CC)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CN(C)CC(C)(C)C)C1 ZINC001382313737 1348861584 /nfs/dbraw/zinc/86/15/84/1348861584.db2.gz LRLLKAYHVOBCSY-DOTOQJQBSA-N 1 3 325.541 2.980 20 0 EFADHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCN2CCCC2)C1(C)C ZINC001334277809 1331277140 /nfs/dbraw/zinc/27/71/40/1331277140.db2.gz MXYWVWUYAHRDHQ-HNNXBMFYSA-N 1 3 325.497 2.850 20 0 EFADHO CN(C)CC[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC001414089348 1332208233 /nfs/dbraw/zinc/20/82/33/1332208233.db2.gz SHSAICKBGXJUAC-INIZCTEOSA-N 1 3 326.506 2.546 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001346190626 1332609887 /nfs/dbraw/zinc/60/98/87/1332609887.db2.gz ICRXMKHWWCBIRB-ZDUSSCGKSA-N 1 3 325.403 2.613 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](CNCCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC001346190626 1332609891 /nfs/dbraw/zinc/60/98/91/1332609891.db2.gz ICRXMKHWWCBIRB-ZDUSSCGKSA-N 1 3 325.403 2.613 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cc1OC ZINC001414096507 1332638692 /nfs/dbraw/zinc/63/86/92/1332638692.db2.gz HPDHUGYTCZTSNR-ROUUACIJSA-N 1 3 348.487 2.561 20 0 EFADHO CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cc1OC ZINC001414096503 1332638708 /nfs/dbraw/zinc/63/87/08/1332638708.db2.gz HPDHUGYTCZTSNR-QZTJIDSGSA-N 1 3 348.487 2.561 20 0 EFADHO C[N@H+](CCCF)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480076318 1333227981 /nfs/dbraw/zinc/22/79/81/1333227981.db2.gz AVNQVHBZQOUYID-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO C[N@@H+](CCCF)C[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001480076318 1333227986 /nfs/dbraw/zinc/22/79/86/1333227986.db2.gz AVNQVHBZQOUYID-QGZVFWFLSA-N 1 3 341.515 2.781 20 0 EFADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN(C)CC(C)(C)C)C1)c1ccccc1 ZINC001480117590 1333383839 /nfs/dbraw/zinc/38/38/39/1333383839.db2.gz QAVHGRPQBGHWHJ-AEFFLSMTSA-N 1 3 331.504 2.916 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@H]1CCCCN1CCc1ccccc1F ZINC001480324948 1333629904 /nfs/dbraw/zinc/62/99/04/1333629904.db2.gz RWGQCZKRAAIABZ-GOSISDBHSA-N 1 3 349.494 2.681 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001002038309 1333971365 /nfs/dbraw/zinc/97/13/65/1333971365.db2.gz XJKIUTFNCPVOHY-SFHVURJKSA-N 1 3 341.515 2.829 20 0 EFADHO C[C@@H](CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)N(C)C ZINC001353287407 1334066618 /nfs/dbraw/zinc/06/66/18/1334066618.db2.gz LWPXPQBGNAUUCZ-NHYWBVRUSA-N 1 3 347.272 2.726 20 0 EFADHO CC(C)(C(=O)NCC1CC([NH2+]Cc2ccccc2)C1)N1CCCC1 ZINC001100562575 1334293814 /nfs/dbraw/zinc/29/38/14/1334293814.db2.gz RSILZEIDJAYJIT-UHFFFAOYSA-N 1 3 329.488 2.545 20 0 EFADHO C[NH+](C)CC1(C(=O)NCC2CC(NCc3ccccc3Cl)C2)CC1 ZINC001100617097 1334411601 /nfs/dbraw/zinc/41/16/01/1334411601.db2.gz COPLWENPHFQKTR-UHFFFAOYSA-N 1 3 349.906 2.666 20 0 EFADHO C[C@@H](NC1CC(CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001100620881 1334418360 /nfs/dbraw/zinc/41/83/60/1334418360.db2.gz CJLLBAPKWQEDDF-QQFBHYJXSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001100647499 1334482234 /nfs/dbraw/zinc/48/22/34/1334482234.db2.gz YQKWGSXNIAPFDE-LYBXBRPPSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CC2CC3(CCC3)C2)C1)N(C)C ZINC001100647372 1334482311 /nfs/dbraw/zinc/48/23/11/1334482311.db2.gz RABVHJKBRXYRHH-VMWRSERWSA-N 1 3 335.536 2.637 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]CCC2=CCCCC2)C1)N(C)C ZINC001100647258 1334482399 /nfs/dbraw/zinc/48/23/99/1334482399.db2.gz KUUXXEBLJGGFHP-CTWPCTMYSA-N 1 3 335.536 2.948 20 0 EFADHO CC(C)[C@H](C(=O)NCC1CC([NH2+]C/C=C\c2ccccc2)C1)N(C)C ZINC001100651716 1334491262 /nfs/dbraw/zinc/49/12/62/1334491262.db2.gz FKDFUSRITGNQRB-LFUZSFIQSA-N 1 3 343.515 2.770 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001100651894 1334491826 /nfs/dbraw/zinc/49/18/26/1334491826.db2.gz OPCXFPCIBOXRFG-CTWPCTMYSA-N 1 3 331.504 2.566 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001100673917 1334545849 /nfs/dbraw/zinc/54/58/49/1334545849.db2.gz FDESCQCOPQOFGH-QHGAOEGBSA-N 1 3 343.515 2.772 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCC2CCCCC2)C1 ZINC001100676412 1334550365 /nfs/dbraw/zinc/55/03/65/1334550365.db2.gz NKUDSMLVPGHANV-IPJUCJBFSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CCC[C@@H]3C)C2)cs1 ZINC001100676543 1334551182 /nfs/dbraw/zinc/55/11/82/1334551182.db2.gz OXQLWUMRVTVNML-KTAKPFMOSA-N 1 3 335.517 2.525 20 0 EFADHO Cc1cc(C[NH2+]C2CC(CNC(=O)CN3CC[C@@H](C)C3)C2)c(C)s1 ZINC001100678177 1334556070 /nfs/dbraw/zinc/55/60/70/1334556070.db2.gz BMHHCLSRFUQRQJ-IMUUDWKMSA-N 1 3 349.544 2.691 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC3CCCCCC3)C2)C1 ZINC001100678152 1334556370 /nfs/dbraw/zinc/55/63/70/1334556370.db2.gz AGDYCBANPGUYAS-IVMQYODDSA-N 1 3 335.536 2.783 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]Cc3ccccc3Cl)C2)C1 ZINC001100678694 1334556685 /nfs/dbraw/zinc/55/66/85/1334556685.db2.gz TZRHDEDKRBRLSN-UQPPLGOBSA-N 1 3 349.906 2.666 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001100681792 1334564791 /nfs/dbraw/zinc/56/47/91/1334564791.db2.gz TUVVCGLPGKLHBG-UHFFFAOYSA-N 1 3 335.536 2.949 20 0 EFADHO CN(CC(=O)NCC1CC([NH2+]CCc2ccccc2)C1)CC(C)(C)C ZINC001100681721 1334564819 /nfs/dbraw/zinc/56/48/19/1334564819.db2.gz QTZNHBGRUXBZIZ-UHFFFAOYSA-N 1 3 345.531 2.691 20 0 EFADHO C[C@@H](CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)N(C)C ZINC001356594737 1335059856 /nfs/dbraw/zinc/05/98/56/1335059856.db2.gz FRNDIDKFRWERLM-AAEUAGOBSA-N 1 3 335.275 2.663 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1COC(C)C ZINC000849059723 1335063346 /nfs/dbraw/zinc/06/33/46/1335063346.db2.gz HCTRFEFDXNFIPG-SFHVURJKSA-N 1 3 332.492 2.710 20 0 EFADHO CCCCN1CCCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000849064147 1335066118 /nfs/dbraw/zinc/06/61/18/1335066118.db2.gz BSYBUZAJMXANKB-QGZVFWFLSA-N 1 3 332.492 2.964 20 0 EFADHO [NH2+]=C(NCCOC1CCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849070025 1335068980 /nfs/dbraw/zinc/06/89/80/1335068980.db2.gz DAKGPEQWVHGJJT-UHFFFAOYSA-N 1 3 344.503 2.724 20 0 EFADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1oc2ccccc2c1OC ZINC000849089693 1335073260 /nfs/dbraw/zinc/07/32/60/1335073260.db2.gz BSHZOZPVSFJUEC-ZDUSSCGKSA-N 1 3 330.432 2.540 20 0 EFADHO [NH2+]=C(NCC1CCSCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000849099986 1335551513 /nfs/dbraw/zinc/55/15/13/1335551513.db2.gz NGBSSSQKVUQOKT-UHFFFAOYSA-N 1 3 346.544 2.908 20 0 EFADHO COC1(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CCC1 ZINC000849113439 1335554700 /nfs/dbraw/zinc/55/47/00/1335554700.db2.gz FKSFWYKAGBXPFK-UHFFFAOYSA-N 1 3 344.503 2.724 20 0 EFADHO CC[C@@H](C)[C@H](CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849113505 1335554715 /nfs/dbraw/zinc/55/47/15/1335554715.db2.gz PYXXWPFEJZKOGQ-APWZRJJASA-N 1 3 346.519 2.826 20 0 EFADHO CC[C@@](C)(CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)OC ZINC000849114345 1335554831 /nfs/dbraw/zinc/55/48/31/1335554831.db2.gz FCROBGXGQUXGFQ-IBGZPJMESA-N 1 3 332.492 2.580 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC001361864721 1336384224 /nfs/dbraw/zinc/38/42/24/1336384224.db2.gz QYZQYBQDUWIJEB-IBGZPJMESA-N 1 3 345.487 2.973 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935464 1336425207 /nfs/dbraw/zinc/42/52/07/1336425207.db2.gz FVPLQHMZBSSFON-RBUKOAKNSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935464 1336425208 /nfs/dbraw/zinc/42/52/08/1336425208.db2.gz FVPLQHMZBSSFON-RBUKOAKNSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935468 1336425266 /nfs/dbraw/zinc/42/52/66/1336425266.db2.gz FVPLQHMZBSSFON-RTBURBONSA-N 1 3 331.504 2.834 20 0 EFADHO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)N(C)C)cc1 ZINC001361935468 1336425267 /nfs/dbraw/zinc/42/52/67/1336425267.db2.gz FVPLQHMZBSSFON-RTBURBONSA-N 1 3 331.504 2.834 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)N(C)C)cc1 ZINC001362023046 1336468805 /nfs/dbraw/zinc/46/88/05/1336468805.db2.gz IFOMTJDCEPKDQE-OALUTQOASA-N 1 3 331.504 2.841 20 0 EFADHO CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)N(C)C)cc1 ZINC001362023046 1336468807 /nfs/dbraw/zinc/46/88/07/1336468807.db2.gz IFOMTJDCEPKDQE-OALUTQOASA-N 1 3 331.504 2.841 20 0 EFADHO CN(C)[C@@H](CNC(=O)C1C[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC001362030013 1336472406 /nfs/dbraw/zinc/47/24/06/1336472406.db2.gz OAIYQFXYWSBIKL-HXUWFJFHSA-N 1 3 343.515 2.540 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001362620764 1336677542 /nfs/dbraw/zinc/67/75/42/1336677542.db2.gz IUDFVKLTTMMRAC-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001362620764 1336677545 /nfs/dbraw/zinc/67/75/45/1336677545.db2.gz IUDFVKLTTMMRAC-KRWDZBQOSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC001362674565 1336701511 /nfs/dbraw/zinc/70/15/11/1336701511.db2.gz ZDTOJNDNPWBGNW-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC001362674565 1336701516 /nfs/dbraw/zinc/70/15/16/1336701516.db2.gz ZDTOJNDNPWBGNW-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1 ZINC001362758741 1336730307 /nfs/dbraw/zinc/73/03/07/1336730307.db2.gz HVBGBRZJEKSFCU-MISYRCLQSA-N 1 3 343.515 2.901 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001363210086 1336834935 /nfs/dbraw/zinc/83/49/35/1336834935.db2.gz WVOPOAULTMNSRJ-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001363210086 1336834936 /nfs/dbraw/zinc/83/49/36/1336834936.db2.gz WVOPOAULTMNSRJ-AZUAARDMSA-N 1 3 343.515 2.841 20 0 EFADHO COC(=O)c1cc(CNCc2ccccc2C[N@H+](C)C(C)C)c[nH]1 ZINC001363351504 1336888130 /nfs/dbraw/zinc/88/81/30/1336888130.db2.gz NNWFQWFBEAINTQ-UHFFFAOYSA-N 1 3 329.444 2.931 20 0 EFADHO COC(=O)c1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)c[nH]1 ZINC001363351504 1336888134 /nfs/dbraw/zinc/88/81/34/1336888134.db2.gz NNWFQWFBEAINTQ-UHFFFAOYSA-N 1 3 329.444 2.931 20 0 EFADHO CN1CCN(c2ncccc2C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001363366388 1336895588 /nfs/dbraw/zinc/89/55/88/1336895588.db2.gz WDHRKILXBZZNII-UHFFFAOYSA-N 1 3 348.853 2.916 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC001363625683 1336960208 /nfs/dbraw/zinc/96/02/08/1336960208.db2.gz JSBKFLZNBQQNJU-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC001363625683 1336960210 /nfs/dbraw/zinc/96/02/10/1336960210.db2.gz JSBKFLZNBQQNJU-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CC[NH+]1CCC(CN2CCN(c3ncnc4sccc43)CC2)CC1 ZINC001363914308 1337112814 /nfs/dbraw/zinc/11/28/14/1337112814.db2.gz XFRPUCXRANWEKW-UHFFFAOYSA-N 1 3 345.516 2.545 20 0 EFADHO COCCc1ccc(OC[C@@H](C)[NH2+]C[C@H]2CN3CCC2CC3)cc1 ZINC001363945580 1337124631 /nfs/dbraw/zinc/12/46/31/1337124631.db2.gz SDKFZTRNKJVBQS-APWZRJJASA-N 1 3 332.488 2.574 20 0 EFADHO CCCN1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3C)CC2)C1 ZINC001364590374 1337194398 /nfs/dbraw/zinc/19/43/98/1337194398.db2.gz YZQKWOUYDRROKA-SFHVURJKSA-N 1 3 343.515 2.921 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC001364590239 1337194410 /nfs/dbraw/zinc/19/44/10/1337194410.db2.gz BFICGERVFSTNEJ-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO COc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC001364590239 1337194412 /nfs/dbraw/zinc/19/44/12/1337194412.db2.gz BFICGERVFSTNEJ-FQEVSTJZSA-N 1 3 340.467 2.942 20 0 EFADHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC001365291743 1337218804 /nfs/dbraw/zinc/21/88/04/1337218804.db2.gz DOFQFNCGIMKQML-MRXNPFEDSA-N 1 3 343.515 2.815 20 0 EFADHO CC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC001365542834 1337230450 /nfs/dbraw/zinc/23/04/50/1337230450.db2.gz CLHQBADKNLGDFW-DLBZAZTESA-N 1 3 348.491 2.542 20 0 EFADHO CC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)[C@@H](C)C1 ZINC001365542834 1337230453 /nfs/dbraw/zinc/23/04/53/1337230453.db2.gz CLHQBADKNLGDFW-DLBZAZTESA-N 1 3 348.491 2.542 20 0 EFADHO CC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC001365542841 1337230750 /nfs/dbraw/zinc/23/07/50/1337230750.db2.gz CLHQBADKNLGDFW-SJORKVTESA-N 1 3 348.491 2.542 20 0 EFADHO CC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)[C@H](C)C1 ZINC001365542841 1337230752 /nfs/dbraw/zinc/23/07/52/1337230752.db2.gz CLHQBADKNLGDFW-SJORKVTESA-N 1 3 348.491 2.542 20 0 EFADHO Cc1ccc(C)c(CN2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001365936013 1337268685 /nfs/dbraw/zinc/26/86/85/1337268685.db2.gz DZEZRZBBPBPQAS-LJQANCHMSA-N 1 3 331.504 2.726 20 0 EFADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CCCc2ccsc2)C1 ZINC001366004088 1337316114 /nfs/dbraw/zinc/31/61/14/1337316114.db2.gz NSDNANHVZULLOJ-SFHVURJKSA-N 1 3 349.544 2.747 20 0 EFADHO Cc1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001366007137 1337318178 /nfs/dbraw/zinc/31/81/78/1337318178.db2.gz TUEOPVWJVJDFTJ-HXUWFJFHSA-N 1 3 343.515 2.952 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1sccc1Cl)C1CC1)N(C)C ZINC001366066085 1337358940 /nfs/dbraw/zinc/35/89/40/1337358940.db2.gz QFLCBRPLEGSOAM-KBPBESRZSA-N 1 3 343.924 2.726 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[N@H+](C)CCCF)C2)c1 ZINC001366068049 1337360355 /nfs/dbraw/zinc/36/03/55/1337360355.db2.gz JFWAJEWISWWNIB-SFHVURJKSA-N 1 3 349.494 2.892 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[N@@H+](C)CCCF)C2)c1 ZINC001366068049 1337360358 /nfs/dbraw/zinc/36/03/58/1337360358.db2.gz JFWAJEWISWWNIB-SFHVURJKSA-N 1 3 349.494 2.892 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001366068857 1337361518 /nfs/dbraw/zinc/36/15/18/1337361518.db2.gz WVMSSSPFWDWUKC-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001366111188 1337383350 /nfs/dbraw/zinc/38/33/50/1337383350.db2.gz CKKOLZZNRJZWIR-JQFCIGGWSA-N 1 3 333.451 2.608 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1)CC(C)(C)C ZINC001366124786 1337389507 /nfs/dbraw/zinc/38/95/07/1337389507.db2.gz GVOWEJJNNLGUTD-IYARVYRRSA-N 1 3 349.494 2.871 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2F)C1)N(C)C ZINC001366134890 1337395751 /nfs/dbraw/zinc/39/57/51/1337395751.db2.gz MPCDDTUHHUGLQA-LSCFUAHRSA-N 1 3 339.430 2.603 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1)N(C)C ZINC001366136758 1337396764 /nfs/dbraw/zinc/39/67/64/1337396764.db2.gz RTKXFNJSJXTYEY-LNLFQRSKSA-N 1 3 329.488 2.641 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366178995 1337420397 /nfs/dbraw/zinc/42/03/97/1337420397.db2.gz LAXORZLVUWQVOJ-UXHICEINSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366178995 1337420398 /nfs/dbraw/zinc/42/03/98/1337420398.db2.gz LAXORZLVUWQVOJ-UXHICEINSA-N 1 3 345.531 2.972 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001366204649 1337441838 /nfs/dbraw/zinc/44/18/38/1337441838.db2.gz FCWMFGQJXNLEPF-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001366204649 1337441840 /nfs/dbraw/zinc/44/18/40/1337441840.db2.gz FCWMFGQJXNLEPF-LJQANCHMSA-N 1 3 331.504 2.889 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCc1cccs1 ZINC001366359514 1337534575 /nfs/dbraw/zinc/53/45/75/1337534575.db2.gz BDCKORFEFBLDMG-HNNXBMFYSA-N 1 3 345.512 2.760 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)CCC1 ZINC001366435573 1337584921 /nfs/dbraw/zinc/58/49/21/1337584921.db2.gz PUMQCSOQSQSXKA-MSOLQXFVSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H](CCNC(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001366464061 1337607835 /nfs/dbraw/zinc/60/78/35/1337607835.db2.gz MYGSQUACYJEVNV-CYBMUJFWSA-N 1 3 337.430 2.688 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001366528845 1337666207 /nfs/dbraw/zinc/66/62/07/1337666207.db2.gz JMTGTZNPTXYQAI-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H]1CCc2c1cccc2F ZINC001366528845 1337666209 /nfs/dbraw/zinc/66/62/09/1337666209.db2.gz JMTGTZNPTXYQAI-RTBURBONSA-N 1 3 347.478 2.734 20 0 EFADHO CN(CCNC(=O)CCC[NH+](C)C)Cc1ccc2ccccc2c1 ZINC001366567761 1337703115 /nfs/dbraw/zinc/70/31/15/1337703115.db2.gz YCOOVGUUEXTOGE-UHFFFAOYSA-N 1 3 327.472 2.730 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CCCCCC1 ZINC001366618610 1337758687 /nfs/dbraw/zinc/75/86/87/1337758687.db2.gz ZSCMYPSKXFVNOA-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CC[N@H+](CCNC(=O)[C@H](C(C)C)N(C)C)CC1CCCCCC1 ZINC001366618610 1337758685 /nfs/dbraw/zinc/75/86/85/1337758685.db2.gz ZSCMYPSKXFVNOA-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001366629995 1337772441 /nfs/dbraw/zinc/77/24/41/1337772441.db2.gz SIWWVDYHLFIIQM-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](CC)CCNC(=O)CN1CC[C@@H](C)C1 ZINC001366629995 1337772445 /nfs/dbraw/zinc/77/24/45/1337772445.db2.gz SIWWVDYHLFIIQM-IEBWSBKVSA-N 1 3 331.504 2.918 20 0 EFADHO CC[N@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccc(C)cc1C ZINC001366629718 1337772770 /nfs/dbraw/zinc/77/27/70/1337772770.db2.gz HVKUBQFDRLIQHD-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO CC[N@@H+](CCNC(=O)[C@@H](C(C)C)N(C)C)Cc1ccc(C)cc1C ZINC001366629718 1337772774 /nfs/dbraw/zinc/77/27/74/1337772774.db2.gz HVKUBQFDRLIQHD-LJQANCHMSA-N 1 3 333.520 2.828 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)N(C)C ZINC001366691522 1337873134 /nfs/dbraw/zinc/87/31/34/1337873134.db2.gz WDQJDLJLNNHOAI-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1)N(C)C ZINC001366691522 1337873141 /nfs/dbraw/zinc/87/31/41/1337873141.db2.gz WDQJDLJLNNHOAI-RTBURBONSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001366703423 1337895447 /nfs/dbraw/zinc/89/54/47/1337895447.db2.gz ZJKMKSYBJIUDEE-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1)N(C)C ZINC001366703423 1337895453 /nfs/dbraw/zinc/89/54/53/1337895453.db2.gz ZJKMKSYBJIUDEE-CVEARBPZSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@H+](CC2CCCCCC2)C2CC2)C1 ZINC001366751864 1337966547 /nfs/dbraw/zinc/96/65/47/1337966547.db2.gz OQRGYPHCSMKANE-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC[N@@H+](CC2CCCCCC2)C2CC2)C1 ZINC001366751864 1337966552 /nfs/dbraw/zinc/96/65/52/1337966552.db2.gz OQRGYPHCSMKANE-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(CN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C2CC2)c1 ZINC001366758205 1337977226 /nfs/dbraw/zinc/97/72/26/1337977226.db2.gz XGVQABURUNHVJE-IBGZPJMESA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001366767741 1337988578 /nfs/dbraw/zinc/98/85/78/1337988578.db2.gz HYDLSBCPAXMAFA-SFHVURJKSA-N 1 3 331.504 2.836 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001366771878 1337991811 /nfs/dbraw/zinc/99/18/11/1337991811.db2.gz XZBFIJQZWFAWLV-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H](C)c1ccccc1F ZINC001366771878 1337991813 /nfs/dbraw/zinc/99/18/13/1337991813.db2.gz XZBFIJQZWFAWLV-YJBOKZPZSA-N 1 3 335.467 2.809 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC001366779419 1337997632 /nfs/dbraw/zinc/99/76/32/1337997632.db2.gz XBZKSEOZIFKDKM-KXBFYZLASA-N 1 3 347.478 2.593 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366848507 1338113226 /nfs/dbraw/zinc/11/32/26/1338113226.db2.gz BVTHGUYRVLHOGT-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001366848507 1338113231 /nfs/dbraw/zinc/11/32/31/1338113231.db2.gz BVTHGUYRVLHOGT-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@H+](CCCF)C2)c1 ZINC001366850525 1338116108 /nfs/dbraw/zinc/11/61/08/1338116108.db2.gz DQHYGXBFIQNXEF-MRXNPFEDSA-N 1 3 335.467 2.550 20 0 EFADHO CN(C)Cc1cccc(C(=O)NCC[C@@H]2CC[N@@H+](CCCF)C2)c1 ZINC001366850525 1338116111 /nfs/dbraw/zinc/11/61/11/1338116111.db2.gz DQHYGXBFIQNXEF-MRXNPFEDSA-N 1 3 335.467 2.550 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC(C[N@H+](C)C/C=C\Cl)CC1 ZINC001366880174 1338156855 /nfs/dbraw/zinc/15/68/55/1338156855.db2.gz RNVXDUYEOVBUPJ-HWYHOQROSA-N 1 3 347.906 2.589 20 0 EFADHO CCN(CC)C[C@H](F)C(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001366880174 1338156859 /nfs/dbraw/zinc/15/68/59/1338156859.db2.gz RNVXDUYEOVBUPJ-HWYHOQROSA-N 1 3 347.906 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2C)C1 ZINC001366880478 1338157309 /nfs/dbraw/zinc/15/73/09/1338157309.db2.gz HOKFTIKFJAFDEN-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2C)C1 ZINC001366880478 1338157313 /nfs/dbraw/zinc/15/73/13/1338157313.db2.gz HOKFTIKFJAFDEN-IBGZPJMESA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(CF)cc2)C1 ZINC001366882959 1338161061 /nfs/dbraw/zinc/16/10/61/1338161061.db2.gz MPULTJRFIKXNDE-LJQANCHMSA-N 1 3 349.494 2.778 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1 ZINC001366882959 1338161067 /nfs/dbraw/zinc/16/10/67/1338161067.db2.gz MPULTJRFIKXNDE-LJQANCHMSA-N 1 3 349.494 2.778 20 0 EFADHO Cc1cccc(CN2CC(CNC(=O)[C@H](C)[NH+]3CCCCCC3)C2)c1 ZINC001366976071 1338234544 /nfs/dbraw/zinc/23/45/44/1338234544.db2.gz ILRIUZIGPNITDQ-SFHVURJKSA-N 1 3 343.515 2.808 20 0 EFADHO CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001366989077 1338247137 /nfs/dbraw/zinc/24/71/37/1338247137.db2.gz WUBPFLBTJXMZMV-APWZRJJASA-N 1 3 329.488 2.528 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001367024205 1338282249 /nfs/dbraw/zinc/28/22/49/1338282249.db2.gz MUYUAULZLLEKRL-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)ccc2C)C1 ZINC001367024205 1338282255 /nfs/dbraw/zinc/28/22/55/1338282255.db2.gz MUYUAULZLLEKRL-IBGZPJMESA-N 1 3 331.504 2.726 20 0 EFADHO CC(C)c1ccccc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001367032201 1338290824 /nfs/dbraw/zinc/29/08/24/1338290824.db2.gz IKAHVWJKQSDLRX-GOSISDBHSA-N 1 3 331.504 2.842 20 0 EFADHO Cc1cccc(CN2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001367038987 1338299832 /nfs/dbraw/zinc/29/98/32/1338299832.db2.gz LTXFOEJBWJJXDP-LJQANCHMSA-N 1 3 329.488 2.562 20 0 EFADHO Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001367065478 1338340009 /nfs/dbraw/zinc/34/00/09/1338340009.db2.gz QPQXOLYQQQNPDF-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001367065478 1338340012 /nfs/dbraw/zinc/34/00/12/1338340012.db2.gz QPQXOLYQQQNPDF-VQTJNVASSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)c1ccccc1F ZINC001367103586 1338390314 /nfs/dbraw/zinc/39/03/14/1338390314.db2.gz RVSARLQJXXFEEV-CABCVRRESA-N 1 3 335.467 2.855 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+][C@@H]1CCc2c1cccc2F ZINC001367133149 1338424168 /nfs/dbraw/zinc/42/41/68/1338424168.db2.gz NXZDXWFTEZSCEH-RDTXWAMCSA-N 1 3 335.467 2.639 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C)cc1 ZINC001367260592 1338560463 /nfs/dbraw/zinc/56/04/63/1338560463.db2.gz MBRZPSODFHRYPQ-HKUYNNGSSA-N 1 3 331.504 2.711 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001367278939 1338579128 /nfs/dbraw/zinc/57/91/28/1338579128.db2.gz UWQNDLJNACNLEA-APWZRJJASA-N 1 3 349.494 2.931 20 0 EFADHO CC(C)Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH]cn2)cc1 ZINC001367384032 1338679618 /nfs/dbraw/zinc/67/96/18/1338679618.db2.gz GVACTHPHDOAYCZ-MRXNPFEDSA-N 1 3 342.487 2.787 20 0 EFADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001367395081 1338692157 /nfs/dbraw/zinc/69/21/57/1338692157.db2.gz HXPKDSYFDWVKNZ-CJNGLKHVSA-N 1 3 341.446 2.901 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ncccc2c1 ZINC001367406007 1338703678 /nfs/dbraw/zinc/70/36/78/1338703678.db2.gz XVJBUBRJOWWCBD-INIZCTEOSA-N 1 3 342.487 2.513 20 0 EFADHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(F)cc1 ZINC001367475666 1338775358 /nfs/dbraw/zinc/77/53/58/1338775358.db2.gz VBCFRXXXSIASIS-QGZVFWFLSA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001367532780 1338834754 /nfs/dbraw/zinc/83/47/54/1338834754.db2.gz FSIWXBMDVKUFRM-WMZOPIPTSA-N 1 3 331.504 2.788 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001367532780 1338834757 /nfs/dbraw/zinc/83/47/57/1338834757.db2.gz FSIWXBMDVKUFRM-WMZOPIPTSA-N 1 3 331.504 2.788 20 0 EFADHO CCc1cccc(CN(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001367548498 1338857688 /nfs/dbraw/zinc/85/76/88/1338857688.db2.gz VXJDKBKLPWQPQS-LJQANCHMSA-N 1 3 333.520 2.725 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCCC2)CCC1 ZINC001367559654 1338871748 /nfs/dbraw/zinc/87/17/48/1338871748.db2.gz GHVIFWQYSLXSSX-ROUUACIJSA-N 1 3 335.536 2.926 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001367578417 1338877706 /nfs/dbraw/zinc/87/77/06/1338877706.db2.gz KLSHRQLFKLRWSN-WMZOPIPTSA-N 1 3 335.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001367655300 1338908778 /nfs/dbraw/zinc/90/87/78/1338908778.db2.gz DWKKVDGYIKJVNL-RHSMWYFYSA-N 1 3 337.895 2.933 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001367699482 1338938915 /nfs/dbraw/zinc/93/89/15/1338938915.db2.gz ODQYDOPYGSUGCE-WQGACYEGSA-N 1 3 343.874 2.975 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN[C@H](C)c1ccc(F)cc1F)[NH+](C)C ZINC001367739089 1338969062 /nfs/dbraw/zinc/96/90/62/1338969062.db2.gz SHMUDEWBIQGEIO-AHIWAGSCSA-N 1 3 341.446 2.706 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)s1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367741144 1338970411 /nfs/dbraw/zinc/97/04/11/1338970411.db2.gz SDFJOSDFLDWNEV-LBPRGKRZSA-N 1 3 341.908 2.624 20 0 EFADHO C[C@H](c1ccc(F)cc1)N(C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001367821323 1339037707 /nfs/dbraw/zinc/03/77/07/1339037707.db2.gz KTUAJHYDHGQDNY-JKSUJKDBSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1cc(CN(C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)s1 ZINC001367828056 1339043970 /nfs/dbraw/zinc/04/39/70/1339043970.db2.gz BIWFXEFUZLQNQQ-ZDUSSCGKSA-N 1 3 337.533 2.643 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CC2)c1 ZINC001367902399 1339095503 /nfs/dbraw/zinc/09/55/03/1339095503.db2.gz PWNYAZLGPJTNKP-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H](C[NH2+]CC2CCC2)C2CC2)c1 ZINC001367916996 1339106254 /nfs/dbraw/zinc/10/62/54/1339106254.db2.gz CXUYQJOYINXRSY-LJQANCHMSA-N 1 3 329.488 2.646 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C)N3CCCCCC3)CC2)cc1 ZINC001368026480 1339163843 /nfs/dbraw/zinc/16/38/43/1339163843.db2.gz CHBSCIARJJJFDH-GOSISDBHSA-N 1 3 343.515 2.998 20 0 EFADHO O=C(CCC[NH+]1CCCC1)NCC1(NCc2ccc(Cl)cc2)CC1 ZINC001368040313 1339171106 /nfs/dbraw/zinc/17/11/06/1339171106.db2.gz FUJNCEPQGKSUOZ-UHFFFAOYSA-N 1 3 349.906 2.954 20 0 EFADHO C[NH+](C)CCCC(=O)N1CCC2(C1)CCN(CCC(F)(F)F)CC2 ZINC001368057891 1339181154 /nfs/dbraw/zinc/18/11/54/1339181154.db2.gz ZYWPCDQVSVKDML-UHFFFAOYSA-N 1 3 349.441 2.595 20 0 EFADHO CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)CN2CC[C@@H](C)C2)CC1 ZINC001368117064 1339201474 /nfs/dbraw/zinc/20/14/74/1339201474.db2.gz CAHFBJOORYCLJQ-MSOLQXFVSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@@H](C(=O)NC1(C)CC[NH+](Cc2ccccc2C)CC1)N(C)C ZINC001368121432 1339203117 /nfs/dbraw/zinc/20/31/17/1339203117.db2.gz MSAMYSPBOVIEBH-SFHVURJKSA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)NC1(C)CC[NH+](CCc2ccc(C)cc2)CC1)N(C)C ZINC001368122583 1339204088 /nfs/dbraw/zinc/20/40/88/1339204088.db2.gz RVZWLISLLJYYLP-LJQANCHMSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(F)(F)C1)C1CCCC1)N(C)C ZINC001368145743 1339218606 /nfs/dbraw/zinc/21/86/06/1339218606.db2.gz PDOVEJZCGAUFQO-CVEARBPZSA-N 1 3 345.478 2.637 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001368177818 1339237645 /nfs/dbraw/zinc/23/76/45/1339237645.db2.gz LPKYOJDVRMJJPM-GOSISDBHSA-N 1 3 337.533 2.869 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@]1(C)CCN(Cc2csc(C)c2)C1 ZINC001368177818 1339237648 /nfs/dbraw/zinc/23/76/48/1339237648.db2.gz LPKYOJDVRMJJPM-GOSISDBHSA-N 1 3 337.533 2.869 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1)N(C)C ZINC001368189475 1339245054 /nfs/dbraw/zinc/24/50/54/1339245054.db2.gz LTQOWKFJTFCKID-ICSRJNTNSA-N 1 3 337.552 2.981 20 0 EFADHO Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001368193429 1339247220 /nfs/dbraw/zinc/24/72/20/1339247220.db2.gz DKTNKVLXXCGEOU-CTNGQTDRSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001368193223 1339247227 /nfs/dbraw/zinc/24/72/27/1339247227.db2.gz GHIGTOHVGBQCCR-FPOVZHCZSA-N 1 3 345.531 2.972 20 0 EFADHO CCCN(C)CC(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001368208132 1339256460 /nfs/dbraw/zinc/25/64/60/1339256460.db2.gz RCBZQUQNLIWYDU-UHFFFAOYSA-N 1 3 331.504 2.747 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CC(C)C2)C1 ZINC001368228916 1339274149 /nfs/dbraw/zinc/27/41/49/1339274149.db2.gz JZIYLRQPDGXPRZ-KJXMEXGPSA-N 1 3 332.492 2.525 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@]1(C)CCC[N@H+](CC2CC(C)C2)C1 ZINC001368228916 1339274152 /nfs/dbraw/zinc/27/41/52/1339274152.db2.gz JZIYLRQPDGXPRZ-KJXMEXGPSA-N 1 3 332.492 2.525 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1)N(C)C ZINC001368230574 1339275521 /nfs/dbraw/zinc/27/55/21/1339275521.db2.gz NDNQFBJPBHCKMP-AZUAARDMSA-N 1 3 331.504 2.745 20 0 EFADHO CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccccc2)C1)N(C)C ZINC001368230574 1339275524 /nfs/dbraw/zinc/27/55/24/1339275524.db2.gz NDNQFBJPBHCKMP-AZUAARDMSA-N 1 3 331.504 2.745 20 0 EFADHO CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001368333798 1339302672 /nfs/dbraw/zinc/30/26/72/1339302672.db2.gz DXDWKPCBCCRWCD-VQIMIIECSA-N 1 3 331.504 2.844 20 0 EFADHO CN(C[C@H]1CCN1CCCC(C)(C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001368390674 1339324384 /nfs/dbraw/zinc/32/43/84/1339324384.db2.gz FTHRHJMCOMOQCO-QGZVFWFLSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001368428450 1339363732 /nfs/dbraw/zinc/36/37/32/1339363732.db2.gz YDWVMMGNIGVTQG-HZPDHXFCSA-N 1 3 326.444 2.542 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1)C1CCC1 ZINC001368479443 1339416609 /nfs/dbraw/zinc/41/66/09/1339416609.db2.gz GUWRURSJEGRKIN-WOVMCDHWSA-N 1 3 349.906 2.809 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCc2cccs2)CCC1)N(C)C ZINC001368492977 1339430229 /nfs/dbraw/zinc/43/02/29/1339430229.db2.gz KOHLQJIZZQVOQZ-INIZCTEOSA-N 1 3 337.533 2.505 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001368499565 1339437458 /nfs/dbraw/zinc/43/74/58/1339437458.db2.gz CXNBZRRKNSMTFM-OWYHZJEWSA-N 1 3 343.515 2.882 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001368509408 1339444891 /nfs/dbraw/zinc/44/48/91/1339444891.db2.gz CUUJBBOIIFWBLG-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2)CC1)N(C)C ZINC001368509408 1339444893 /nfs/dbraw/zinc/44/48/93/1339444893.db2.gz CUUJBBOIIFWBLG-OALUTQOASA-N 1 3 331.504 2.806 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1)N(C)C ZINC001368522476 1339458321 /nfs/dbraw/zinc/45/83/21/1339458321.db2.gz MXKKIMLYADXYMY-MFHCWRBVSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001368524588 1339460655 /nfs/dbraw/zinc/46/06/55/1339460655.db2.gz HVTVOEDRQODQPR-UHOSZYNNSA-N 1 3 331.504 2.566 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)N(C)C ZINC001368527997 1339465497 /nfs/dbraw/zinc/46/54/97/1339465497.db2.gz OYENEXCNTYLDQA-YIOZNXECSA-N 1 3 349.494 2.957 20 0 EFADHO CN(CCC[N@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001368549230 1339486074 /nfs/dbraw/zinc/48/60/74/1339486074.db2.gz PUYIHKSTZYNACI-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO CN(CCC[N@@H+](C)Cc1cccc(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001368549230 1339486077 /nfs/dbraw/zinc/48/60/77/1339486077.db2.gz PUYIHKSTZYNACI-SFHVURJKSA-N 1 3 335.467 2.590 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001368593390 1339539249 /nfs/dbraw/zinc/53/92/49/1339539249.db2.gz UPBOZXQFBKWFLD-WGSAOQKQSA-N 1 3 345.531 2.957 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001368603885 1339545673 /nfs/dbraw/zinc/54/56/73/1339545673.db2.gz DSWSFLNOCGHWFK-UFYCRDLUSA-N 1 3 345.531 2.820 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001368649075 1339564450 /nfs/dbraw/zinc/56/44/50/1339564450.db2.gz ACDJDHHWKIQYNU-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2Cl)C1 ZINC001368649075 1339564454 /nfs/dbraw/zinc/56/44/54/1339564454.db2.gz ACDJDHHWKIQYNU-WMLDXEAASA-N 1 3 337.895 2.618 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2csc(C)c2)[C@@H](C)C1 ZINC001368712022 1339631150 /nfs/dbraw/zinc/63/11/50/1339631150.db2.gz VJXBROYLLAVHMT-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H](C)C1 ZINC001368712022 1339631159 /nfs/dbraw/zinc/63/11/59/1339631159.db2.gz VJXBROYLLAVHMT-WMLDXEAASA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2csc(C)c2)[C@H](C)C1 ZINC001368712020 1339631627 /nfs/dbraw/zinc/63/16/27/1339631627.db2.gz VJXBROYLLAVHMT-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)c2)[C@H](C)C1 ZINC001368712020 1339631632 /nfs/dbraw/zinc/63/16/32/1339631632.db2.gz VJXBROYLLAVHMT-RHSMWYFYSA-N 1 3 337.533 2.867 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201484 1353920222 /nfs/dbraw/zinc/92/02/22/1353920222.db2.gz UJJXWCZDLFVOPU-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201480 1353920338 /nfs/dbraw/zinc/92/03/38/1353920338.db2.gz UJJXWCZDLFVOPU-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201480 1353920344 /nfs/dbraw/zinc/92/03/44/1353920344.db2.gz UJJXWCZDLFVOPU-IRXDYDNUSA-N 1 3 325.541 2.981 20 0 EFADHO CCc1ccccc1C[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001369085352 1339904939 /nfs/dbraw/zinc/90/49/39/1339904939.db2.gz VTAXAAPOQDZBBJ-INIZCTEOSA-N 1 3 343.515 2.670 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1C)C1CC1)N(C)C ZINC001370262644 1339993666 /nfs/dbraw/zinc/99/36/66/1339993666.db2.gz GPNJEQRBMJYYPP-OALUTQOASA-N 1 3 331.504 2.628 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001370335615 1340042661 /nfs/dbraw/zinc/04/26/61/1340042661.db2.gz XCYHTBWMTXZICK-KDURUIRLSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001370335615 1340042663 /nfs/dbraw/zinc/04/26/63/1340042663.db2.gz XCYHTBWMTXZICK-KDURUIRLSA-N 1 3 335.536 2.972 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1)N(C)C ZINC001370545016 1340127401 /nfs/dbraw/zinc/12/74/01/1340127401.db2.gz DGNLPOMQWQJRMK-DILOTOHQSA-N 1 3 343.515 2.813 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2Cl)C1)N(C)C ZINC001370550714 1340129606 /nfs/dbraw/zinc/12/96/06/1340129606.db2.gz ZSDBQCTXWASISW-AYMQEEERSA-N 1 3 337.895 2.978 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001370589894 1340146635 /nfs/dbraw/zinc/14/66/35/1340146635.db2.gz AGFNCOAFFGZIAP-GOOCMWNKSA-N 1 3 349.441 2.782 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCC(F)(F)F ZINC001370589894 1340146636 /nfs/dbraw/zinc/14/66/36/1340146636.db2.gz AGFNCOAFFGZIAP-GOOCMWNKSA-N 1 3 349.441 2.782 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001370757346 1340199595 /nfs/dbraw/zinc/19/95/95/1340199595.db2.gz ZKXHAEBIVVDHSN-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001370757346 1340199599 /nfs/dbraw/zinc/19/95/99/1340199599.db2.gz ZKXHAEBIVVDHSN-MOPGFXCFSA-N 1 3 337.552 2.981 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001370776549 1340205404 /nfs/dbraw/zinc/20/54/04/1340205404.db2.gz AJXXIUYLHQBYEO-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001370776549 1340205408 /nfs/dbraw/zinc/20/54/08/1340205408.db2.gz AJXXIUYLHQBYEO-MSOLQXFVSA-N 1 3 331.504 2.918 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001370779369 1340206385 /nfs/dbraw/zinc/20/63/85/1340206385.db2.gz HCRQGFQTHKVFJA-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001370779369 1340206387 /nfs/dbraw/zinc/20/63/87/1340206387.db2.gz HCRQGFQTHKVFJA-GOSISDBHSA-N 1 3 349.494 2.886 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001370789345 1340211249 /nfs/dbraw/zinc/21/12/49/1340211249.db2.gz ZFCDJGAQQVNFBA-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1)N(C)C ZINC001370789345 1340211253 /nfs/dbraw/zinc/21/12/53/1340211253.db2.gz ZFCDJGAQQVNFBA-LPHOPBHVSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(OC)c1 ZINC001370960355 1340307346 /nfs/dbraw/zinc/30/73/46/1340307346.db2.gz IXZGHMWAYSVBGY-SFHVURJKSA-N 1 3 347.503 2.508 20 0 EFADHO CN(CC(=O)NC1CCC([NH2+]Cc2cccnc2)CC1)CC(C)(C)C ZINC001371077206 1340349458 /nfs/dbraw/zinc/34/94/58/1340349458.db2.gz KWOLMEYJAUZONL-UHFFFAOYSA-N 1 3 346.519 2.577 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc(C(F)F)cc1 ZINC001371199265 1340410982 /nfs/dbraw/zinc/41/09/82/1340410982.db2.gz IDLDXEUMAWBABV-ZDUSSCGKSA-N 1 3 339.430 2.703 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001371214364 1340421908 /nfs/dbraw/zinc/42/19/08/1340421908.db2.gz UOIAJBGTIIYCMO-SCLBCKFNSA-N 1 3 349.906 2.906 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001371420867 1340577763 /nfs/dbraw/zinc/57/77/63/1340577763.db2.gz SHGDCUYBMNVWCQ-WFASDCNBSA-N 1 3 327.419 2.559 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]Cc2cc(C)sc2C)C1 ZINC001371613163 1340675644 /nfs/dbraw/zinc/67/56/44/1340675644.db2.gz HVXIQNWYWBZJSK-MRXNPFEDSA-N 1 3 337.533 2.645 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@@H](CC)c2ccccc2)C1 ZINC001371627752 1340683747 /nfs/dbraw/zinc/68/37/47/1340683747.db2.gz XTJITMPWIKPCJU-MJGOQNOKSA-N 1 3 331.504 2.918 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001371870303 1340732157 /nfs/dbraw/zinc/73/21/57/1340732157.db2.gz QGNBORVZIZABLB-GOEBONIOSA-N 1 3 347.494 2.883 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001371997669 1340743303 /nfs/dbraw/zinc/74/33/03/1340743303.db2.gz RJMVMPZNTPARCT-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(CC)cc1 ZINC001371997669 1340743306 /nfs/dbraw/zinc/74/33/06/1340743306.db2.gz RJMVMPZNTPARCT-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)cc1C ZINC001372365305 1340771849 /nfs/dbraw/zinc/77/18/49/1340771849.db2.gz WUVLWNCWGRFDLM-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)CN(C)C1CCC1)Cc1ccc(C)cc1C ZINC001372365305 1340771852 /nfs/dbraw/zinc/77/18/52/1340771852.db2.gz WUVLWNCWGRFDLM-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO C[NH+](C)CCCC(=O)NCCN(C1CC1)[C@H]1CCc2c1cccc2F ZINC001372864438 1340851534 /nfs/dbraw/zinc/85/15/34/1340851534.db2.gz QWKASJSJVDZNLI-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO C[C@@H]([NH2+]C/C(Cl)=C/Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001372991952 1340867237 /nfs/dbraw/zinc/86/72/37/1340867237.db2.gz GZRQPGNIWOWCDN-QPMGALROSA-N 1 3 348.318 2.616 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001373285462 1340976528 /nfs/dbraw/zinc/97/65/28/1340976528.db2.gz BBJVSDCAIMHQAT-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001373285462 1340976529 /nfs/dbraw/zinc/97/65/29/1340976529.db2.gz BBJVSDCAIMHQAT-MOPGFXCFSA-N 1 3 337.552 2.933 20 0 EFADHO CN(CCF)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001373320086 1340990212 /nfs/dbraw/zinc/99/02/12/1340990212.db2.gz PDVWUIIVLWEWSY-UHFFFAOYSA-N 1 3 341.515 2.638 20 0 EFADHO CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001373513355 1341041763 /nfs/dbraw/zinc/04/17/63/1341041763.db2.gz HPIKJTXQQKXASE-MOPGFXCFSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001373530655 1341045799 /nfs/dbraw/zinc/04/57/99/1341045799.db2.gz GFEKFXROERURSB-HXUWFJFHSA-N 1 3 345.531 2.562 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001373760696 1341137839 /nfs/dbraw/zinc/13/78/39/1341137839.db2.gz VEBLSTWTVIRSSM-YOEHRIQHSA-N 1 3 335.467 2.855 20 0 EFADHO CN(CC(=O)N[C@@](C)(C[NH2+]Cc1ccccc1F)C1CC1)C1CCC1 ZINC001373875443 1341184157 /nfs/dbraw/zinc/18/41/57/1341184157.db2.gz CMTIYNQNPFKRIU-FQEVSTJZSA-N 1 3 347.478 2.685 20 0 EFADHO CCCN(C)CC(=O)N[C@]1(C[NH2+]Cc2cccnc2)CCCC[C@@H]1C ZINC001373897554 1341194396 /nfs/dbraw/zinc/19/43/96/1341194396.db2.gz DRSDDANWTNOZPE-PXNSSMCTSA-N 1 3 346.519 2.578 20 0 EFADHO C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001373913831 1341201018 /nfs/dbraw/zinc/20/10/18/1341201018.db2.gz ZHECXMCOYGOZRK-SJORKVTESA-N 1 3 340.471 2.932 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N1CCC2(CCN(CCF)C2)CC1 ZINC001373980330 1341273941 /nfs/dbraw/zinc/27/39/41/1341273941.db2.gz DCJTXVGRFCUNIO-UHFFFAOYSA-N 1 3 339.499 2.537 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374025497 1341314377 /nfs/dbraw/zinc/31/43/77/1341314377.db2.gz CIROJWSDXKFPDT-YJBOKZPZSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001374025494 1341314440 /nfs/dbraw/zinc/31/44/40/1341314440.db2.gz CIROJWSDXKFPDT-QAPCUYQASA-N 1 3 335.467 2.542 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(Cl)s1 ZINC001374076767 1341368813 /nfs/dbraw/zinc/36/88/13/1341368813.db2.gz MNUAGMLUFJRXRI-QWHCGFSZSA-N 1 3 343.924 2.585 20 0 EFADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1ccc(Cl)s1 ZINC001374076772 1341368820 /nfs/dbraw/zinc/36/88/20/1341368820.db2.gz MNUAGMLUFJRXRI-STQMWFEESA-N 1 3 343.924 2.585 20 0 EFADHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1sccc1Cl ZINC001391715134 1355458439 /nfs/dbraw/zinc/45/84/39/1355458439.db2.gz CROYOCLDXVAVPF-LBPRGKRZSA-N 1 3 343.924 2.728 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1C)N(C)C ZINC001391896312 1355630722 /nfs/dbraw/zinc/63/07/22/1355630722.db2.gz AHPKBUOHMYAQTL-SUMWQHHRSA-N 1 3 339.911 2.831 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)c1 ZINC001374245145 1341600435 /nfs/dbraw/zinc/60/04/35/1341600435.db2.gz PDYNATHSQSKGKO-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1F)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001374284025 1341657553 /nfs/dbraw/zinc/65/75/53/1341657553.db2.gz CYXIKRDCRLWWDQ-HUUCEWRRSA-N 1 3 335.467 2.665 20 0 EFADHO Cc1cccc(Cl)c1CNC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001374288127 1341665187 /nfs/dbraw/zinc/66/51/87/1341665187.db2.gz QPYXBUXVWQPPIT-OAHLLOKOSA-N 1 3 339.911 2.927 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)sc1C ZINC001374319707 1341716777 /nfs/dbraw/zinc/71/67/77/1341716777.db2.gz IIOVANHEIQGCTA-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO C[C@H]([NH2+]CCF)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001374392026 1341847035 /nfs/dbraw/zinc/84/70/35/1341847035.db2.gz JSGAQONKVCONIK-MAUKXSAKSA-N 1 3 335.467 2.548 20 0 EFADHO C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNCc1ccccc1F ZINC001374399658 1341861501 /nfs/dbraw/zinc/86/15/01/1341861501.db2.gz XXPOEBXYZBBXQL-QFBILLFUSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@@H](CNC(=O)C(C)(C)N1CCCCC1)[NH2+]C/C=C/Cl ZINC001374419740 1341898675 /nfs/dbraw/zinc/89/86/75/1341898675.db2.gz PEWDHMSIIOUEKV-XVJNWHFHSA-N 1 3 329.916 2.734 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC001374424558 1341905909 /nfs/dbraw/zinc/90/59/09/1341905909.db2.gz SGYUOUSOPWCXJD-MOPGFXCFSA-N 1 3 333.520 2.812 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001374534830 1342035016 /nfs/dbraw/zinc/03/50/16/1342035016.db2.gz CGIBMMOXXKWNJV-PKOBYXMFSA-N 1 3 331.504 2.870 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)CCN(C)C(=O)CN1CC[C@H](C)C1 ZINC001374534830 1342035021 /nfs/dbraw/zinc/03/50/21/1342035021.db2.gz CGIBMMOXXKWNJV-PKOBYXMFSA-N 1 3 331.504 2.870 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC001374567807 1342080803 /nfs/dbraw/zinc/08/08/03/1342080803.db2.gz HQGHSLUAONDULT-RTBURBONSA-N 1 3 331.504 2.711 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)[C@@H](C(C)C)N(C)C ZINC001374720021 1342135649 /nfs/dbraw/zinc/13/56/49/1342135649.db2.gz CDGKDROPWVNOSC-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001374722956 1342138563 /nfs/dbraw/zinc/13/85/63/1342138563.db2.gz LHAMDHIJBBMGTE-MSOLQXFVSA-N 1 3 335.467 2.591 20 0 EFADHO C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)CN(C)CC(C)(C)C ZINC001374814829 1342186729 /nfs/dbraw/zinc/18/67/29/1342186729.db2.gz RQPGVOALSPUJRO-CQSZACIVSA-N 1 3 339.911 2.912 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001374933915 1342250392 /nfs/dbraw/zinc/25/03/92/1342250392.db2.gz RAIWXACPPXNHTP-HNNXBMFYSA-N 1 3 337.483 2.728 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001374962036 1342271392 /nfs/dbraw/zinc/27/13/92/1342271392.db2.gz CBAYNTKCFQHBCI-XJKSGUPXSA-N 1 3 341.446 2.805 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001393119167 1356618698 /nfs/dbraw/zinc/61/86/98/1356618698.db2.gz GSPHVHAODLIKGZ-AZUAARDMSA-N 1 3 347.478 2.735 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@]1(C)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC001393119167 1356618708 /nfs/dbraw/zinc/61/87/08/1356618708.db2.gz GSPHVHAODLIKGZ-AZUAARDMSA-N 1 3 347.478 2.735 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001375057866 1342360958 /nfs/dbraw/zinc/36/09/58/1342360958.db2.gz UWHUWEYZDGNZBI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001375057866 1342360962 /nfs/dbraw/zinc/36/09/62/1342360962.db2.gz UWHUWEYZDGNZBI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001393163872 1356669837 /nfs/dbraw/zinc/66/98/37/1356669837.db2.gz NMEIDKVPQGFIER-FPOVZHCZSA-N 1 3 345.531 2.972 20 0 EFADHO CCc1ccc(CN(C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001375097401 1342406306 /nfs/dbraw/zinc/40/63/06/1342406306.db2.gz XGJWMKQBSSJYDO-MRXNPFEDSA-N 1 3 331.504 2.527 20 0 EFADHO C[C@H](CN(C)Cc1cccc(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001375157310 1342473852 /nfs/dbraw/zinc/47/38/52/1342473852.db2.gz HOISZXRILWGGIS-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001375178761 1342494130 /nfs/dbraw/zinc/49/41/30/1342494130.db2.gz VZTXWSZVKHIBEK-HOTGVXAUSA-N 1 3 345.478 2.638 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)sc1C)C1CC1)N(C)C ZINC001375256894 1342561239 /nfs/dbraw/zinc/56/12/39/1342561239.db2.gz KKNYDXYMBWBZAS-SJORKVTESA-N 1 3 337.533 2.690 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2c(C)cc(C)cc2C)CC1)N(C)C ZINC001375437042 1342741731 /nfs/dbraw/zinc/74/17/31/1342741731.db2.gz OMBQEJZYGZFQFM-GOSISDBHSA-N 1 3 331.504 2.690 20 0 EFADHO C[N@H+](CCC(=O)NCC1(NCCC(F)(F)F)CC1)C1CCCCC1 ZINC001375458097 1342760485 /nfs/dbraw/zinc/76/04/85/1342760485.db2.gz VKOZJXMZVRRMFM-UHFFFAOYSA-N 1 3 349.441 2.832 20 0 EFADHO C[N@@H+](CCC(=O)NCC1(NCCC(F)(F)F)CC1)C1CCCCC1 ZINC001375458097 1342760489 /nfs/dbraw/zinc/76/04/89/1342760489.db2.gz VKOZJXMZVRRMFM-UHFFFAOYSA-N 1 3 349.441 2.832 20 0 EFADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1)C1CCC1 ZINC001375492943 1342799176 /nfs/dbraw/zinc/79/91/76/1342799176.db2.gz DGILIXYBFSFIGJ-KJQSLDHJSA-N 1 3 341.499 2.669 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1)N(C)C ZINC001375519136 1342827946 /nfs/dbraw/zinc/82/79/46/1342827946.db2.gz PHBBSWKHBSSMGX-BMFAXAFESA-N 1 3 331.504 2.881 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375520520 1342829471 /nfs/dbraw/zinc/82/94/71/1342829471.db2.gz YCXXWZNWKMYQNV-ZZCKCESHSA-N 1 3 335.467 2.711 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CC2)cc1C ZINC001375528004 1342837723 /nfs/dbraw/zinc/83/77/23/1342837723.db2.gz BKTJEXZRXLPBQI-GOSISDBHSA-N 1 3 331.504 2.628 20 0 EFADHO CCc1ccccc1C[NH2+]C1(CNC(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001375531262 1342841126 /nfs/dbraw/zinc/84/11/26/1342841126.db2.gz RFLYAYSUVNQMCQ-SFHVURJKSA-N 1 3 331.504 2.574 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC001375539205 1342851354 /nfs/dbraw/zinc/85/13/54/1342851354.db2.gz YQKWGSXNIAPFDE-IHPCNDPISA-N 1 3 345.531 2.874 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001375545709 1342857967 /nfs/dbraw/zinc/85/79/67/1342857967.db2.gz VSEUGJDYVNRZEM-CDHQVMDDSA-N 1 3 343.515 2.630 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)N(C)C ZINC001375558208 1342873771 /nfs/dbraw/zinc/87/37/71/1342873771.db2.gz QTYHSJQZCMIRNT-LNMJFAINSA-N 1 3 349.494 2.957 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@H+](CCCF)CC2CC2)CC1)N(C)C ZINC001375599522 1342918391 /nfs/dbraw/zinc/91/83/91/1342918391.db2.gz WRDHKLCHQWGSQL-GOSISDBHSA-N 1 3 341.515 2.635 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC([N@@H+](CCCF)CC2CC2)CC1)N(C)C ZINC001375599522 1342918396 /nfs/dbraw/zinc/91/83/96/1342918396.db2.gz WRDHKLCHQWGSQL-GOSISDBHSA-N 1 3 341.515 2.635 20 0 EFADHO CN(CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1)CC(C)(C)C ZINC001375760522 1342983911 /nfs/dbraw/zinc/98/39/11/1342983911.db2.gz KWTNQVKFBZVCJG-SFHVURJKSA-N 1 3 349.494 2.884 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CCCC1)N(C)C ZINC001375795689 1343024356 /nfs/dbraw/zinc/02/43/56/1343024356.db2.gz IDZKHYQUXNZQQU-MOPGFXCFSA-N 1 3 349.494 2.931 20 0 EFADHO Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001375875684 1343121905 /nfs/dbraw/zinc/12/19/05/1343121905.db2.gz SAZRCDCEOMFRQC-FQEVSTJZSA-N 1 3 343.515 2.808 20 0 EFADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001393741142 1357117653 /nfs/dbraw/zinc/11/76/53/1357117653.db2.gz CQFKIWMSKFWHPD-GXTWGEPZSA-N 1 3 343.924 2.680 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCc2sccc2Cl)C1 ZINC001393741142 1357117655 /nfs/dbraw/zinc/11/76/55/1357117655.db2.gz CQFKIWMSKFWHPD-GXTWGEPZSA-N 1 3 343.924 2.680 20 0 EFADHO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CN(C)CC(C)(C)C ZINC001376022863 1343266968 /nfs/dbraw/zinc/26/69/68/1343266968.db2.gz ORZYHAIFXIQCBB-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO Cc1cccc([C@@H](C)N2CCC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC001376061673 1343294474 /nfs/dbraw/zinc/29/44/74/1343294474.db2.gz STDXDLLXVPXTGW-MJGOQNOKSA-N 1 3 343.515 2.978 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]C/C=C\c2ccccc2)C2CC2)CCC1 ZINC001376217475 1343405554 /nfs/dbraw/zinc/40/55/54/1343405554.db2.gz PQSCZRUMPKGSIP-SMTIMMHKSA-N 1 3 341.499 2.669 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC001376223140 1343408639 /nfs/dbraw/zinc/40/86/39/1343408639.db2.gz ZZZXQXXRCUAONX-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001376254886 1343430869 /nfs/dbraw/zinc/43/08/69/1343430869.db2.gz IOUCBCQFYOYYJL-RBUKOAKNSA-N 1 3 349.494 2.705 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2CC2)cc1F ZINC001376254874 1343430894 /nfs/dbraw/zinc/43/08/94/1343430894.db2.gz IOUCBCQFYOYYJL-MOPGFXCFSA-N 1 3 349.494 2.705 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3o2)C1)C1CCC1 ZINC001376365199 1343517767 /nfs/dbraw/zinc/51/77/67/1343517767.db2.gz HHNXWCNSWKOZQV-WKILWMFISA-N 1 3 341.455 2.654 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001376391763 1343546277 /nfs/dbraw/zinc/54/62/77/1343546277.db2.gz UGJMHWIAPVZIPS-ZHALLVOQSA-N 1 3 331.504 2.626 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001376395204 1343549917 /nfs/dbraw/zinc/54/99/17/1343549917.db2.gz IDZXEPYOSFKLMC-WGSAOQKQSA-N 1 3 345.531 2.752 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)C1 ZINC001376404770 1343559705 /nfs/dbraw/zinc/55/97/05/1343559705.db2.gz WWAMVDJNAZMCLJ-BPLDGKMQSA-N 1 3 339.430 2.604 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2F)C1)N(C)C ZINC001376404673 1343559783 /nfs/dbraw/zinc/55/97/83/1343559783.db2.gz WKUGKNNQGKTROC-ATNYBXOESA-N 1 3 335.467 2.710 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001376419370 1343574127 /nfs/dbraw/zinc/57/41/27/1343574127.db2.gz UKVGTHDVLWQOAP-KSZLIROESA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001376419370 1343574129 /nfs/dbraw/zinc/57/41/29/1343574129.db2.gz UKVGTHDVLWQOAP-KSZLIROESA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001376419367 1343574135 /nfs/dbraw/zinc/57/41/35/1343574135.db2.gz UKVGTHDVLWQOAP-FGTMMUONSA-N 1 3 337.552 2.789 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)C[C@@H]2C1)N(C)C ZINC001376419367 1343574137 /nfs/dbraw/zinc/57/41/37/1343574137.db2.gz UKVGTHDVLWQOAP-FGTMMUONSA-N 1 3 337.552 2.789 20 0 EFADHO CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001376560955 1343677287 /nfs/dbraw/zinc/67/72/87/1343677287.db2.gz UDNMNGPJUTVSKC-ROUUACIJSA-N 1 3 325.541 2.837 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001376617524 1343725474 /nfs/dbraw/zinc/72/54/74/1343725474.db2.gz ZHFUOVXLOMNJKK-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ncccc1C ZINC001376617524 1343725477 /nfs/dbraw/zinc/72/54/77/1343725477.db2.gz ZHFUOVXLOMNJKK-GOSISDBHSA-N 1 3 346.519 2.593 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620911 1343727802 /nfs/dbraw/zinc/72/78/02/1343727802.db2.gz JMUHPBBHVNCJLA-IRXDYDNUSA-N 1 3 349.494 2.884 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001376620911 1343727805 /nfs/dbraw/zinc/72/78/05/1343727805.db2.gz JMUHPBBHVNCJLA-IRXDYDNUSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)NC1CCC([NH2+]CCc2ccccc2F)CC1 ZINC001376678902 1343760653 /nfs/dbraw/zinc/76/06/53/1343760653.db2.gz RFTQQPHNIKPBRR-UHFFFAOYSA-N 1 3 349.494 2.727 20 0 EFADHO CC(C)Cc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001376741262 1343797220 /nfs/dbraw/zinc/79/72/20/1343797220.db2.gz CIKAXJPCFQQEFP-QGZVFWFLSA-N 1 3 345.531 2.964 20 0 EFADHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(Cl)s2)CCC1 ZINC001376774704 1343826715 /nfs/dbraw/zinc/82/67/15/1343826715.db2.gz UNFLPESRMTVYLS-UHFFFAOYSA-N 1 3 343.924 2.872 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CCC1)N(C)C ZINC001376782194 1343834155 /nfs/dbraw/zinc/83/41/55/1343834155.db2.gz FIOIOCGLGZDCPW-KRWDZBQOSA-N 1 3 335.467 2.603 20 0 EFADHO Cc1ccccc1CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376909409 1343947402 /nfs/dbraw/zinc/94/74/02/1343947402.db2.gz KVELSUNSQVLAEF-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO Cc1ccccc1CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376909409 1343947404 /nfs/dbraw/zinc/94/74/04/1343947404.db2.gz KVELSUNSQVLAEF-HXUWFJFHSA-N 1 3 345.531 2.802 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001376915789 1343953519 /nfs/dbraw/zinc/95/35/19/1343953519.db2.gz SONQFYFQEWHCNV-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)C1 ZINC001376915789 1343953523 /nfs/dbraw/zinc/95/35/23/1343953523.db2.gz SONQFYFQEWHCNV-AWEZNQCLSA-N 1 3 341.858 2.511 20 0 EFADHO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001376972897 1344001924 /nfs/dbraw/zinc/00/19/24/1344001924.db2.gz UFDWLWHLRUQPKQ-QGZVFWFLSA-N 1 3 339.549 2.923 20 0 EFADHO Cc1cc(C[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)N(C)C)cs1 ZINC001376972897 1344001927 /nfs/dbraw/zinc/00/19/27/1344001927.db2.gz UFDWLWHLRUQPKQ-QGZVFWFLSA-N 1 3 339.549 2.923 20 0 EFADHO Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)CN(C)C2CCC2)c1 ZINC001377032099 1344077494 /nfs/dbraw/zinc/07/74/94/1344077494.db2.gz AGGVKFNHRSNLDZ-QGZVFWFLSA-N 1 3 331.504 2.772 20 0 EFADHO Cc1ccc(F)cc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001377092847 1344128800 /nfs/dbraw/zinc/12/88/00/1344128800.db2.gz LYFKMWHMAQRKRS-CRAIPNDOSA-N 1 3 337.483 2.705 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001377373812 1344155055 /nfs/dbraw/zinc/15/50/55/1344155055.db2.gz CCPOLOLIKCJABT-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)[C@H](C)C1 ZINC001377373812 1344155059 /nfs/dbraw/zinc/15/50/59/1344155059.db2.gz CCPOLOLIKCJABT-IEBWSBKVSA-N 1 3 331.504 2.806 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001377452379 1344163763 /nfs/dbraw/zinc/16/37/63/1344163763.db2.gz OHEXIDGLAGFNBL-KBXCAEBGSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001377600707 1344207124 /nfs/dbraw/zinc/20/71/24/1344207124.db2.gz DUHXPHIHBIBMKB-CRAIPNDOSA-N 1 3 349.544 2.602 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001377612633 1344220197 /nfs/dbraw/zinc/22/01/97/1344220197.db2.gz RGKBGOVHCWHNPC-QGZVFWFLSA-N 1 3 331.504 2.745 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001377692315 1344328948 /nfs/dbraw/zinc/32/89/48/1344328948.db2.gz BYULKXSOJYXVRX-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001377692315 1344328950 /nfs/dbraw/zinc/32/89/50/1344328950.db2.gz BYULKXSOJYXVRX-PMACEKPBSA-N 1 3 345.531 2.909 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001377707893 1344351514 /nfs/dbraw/zinc/35/15/14/1344351514.db2.gz XSXQUFJJBBHALZ-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO CN1CCC[C@@H]1C(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001377707893 1344351518 /nfs/dbraw/zinc/35/15/18/1344351518.db2.gz XSXQUFJJBBHALZ-MAUKXSAKSA-N 1 3 349.906 2.762 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1)N(C)C ZINC001377709763 1344353460 /nfs/dbraw/zinc/35/34/60/1344353460.db2.gz SEUCLRMFAYCIGV-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC2CCCCC2)C1)N(C)C ZINC001377709763 1344353463 /nfs/dbraw/zinc/35/34/63/1344353463.db2.gz SEUCLRMFAYCIGV-RBUKOAKNSA-N 1 3 337.552 2.981 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2F)C1)N(C)C ZINC001377712288 1344357605 /nfs/dbraw/zinc/35/76/05/1344357605.db2.gz WJHOFEBVVDWAFV-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)N(C)C ZINC001377712288 1344357608 /nfs/dbraw/zinc/35/76/08/1344357608.db2.gz WJHOFEBVVDWAFV-VQIMIIECSA-N 1 3 349.494 2.740 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(C)cccc2C)C1 ZINC001377757685 1344404033 /nfs/dbraw/zinc/40/40/33/1344404033.db2.gz HYBDDDXRVVFRJZ-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)cccc2C)C1 ZINC001377757685 1344404035 /nfs/dbraw/zinc/40/40/35/1344404035.db2.gz HYBDDDXRVVFRJZ-LJQANCHMSA-N 1 3 345.531 2.926 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378015881 1344666477 /nfs/dbraw/zinc/66/64/77/1344666477.db2.gz PCUWLAXIVBJIEV-APWZRJJASA-N 1 3 331.504 2.690 20 0 EFADHO Cc1ccccc1[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378015890 1344667170 /nfs/dbraw/zinc/66/71/70/1344667170.db2.gz PCUWLAXIVBJIEV-VQIMIIECSA-N 1 3 331.504 2.690 20 0 EFADHO Cc1cc(F)ccc1CN(C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001378066547 1344721094 /nfs/dbraw/zinc/72/10/94/1344721094.db2.gz FEYCRLBKULQFNH-YJBOKZPZSA-N 1 3 337.483 2.657 20 0 EFADHO CCc1ccccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378110141 1344771936 /nfs/dbraw/zinc/77/19/36/1344771936.db2.gz CZOWTHLQXOEBET-UXHICEINSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccccc1CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378110141 1344771942 /nfs/dbraw/zinc/77/19/42/1344771942.db2.gz CZOWTHLQXOEBET-UXHICEINSA-N 1 3 345.531 2.568 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378153823 1344819891 /nfs/dbraw/zinc/81/98/91/1344819891.db2.gz WSTVYFIPVIZFBD-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001378153823 1344819898 /nfs/dbraw/zinc/81/98/98/1344819898.db2.gz WSTVYFIPVIZFBD-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378168044 1344837778 /nfs/dbraw/zinc/83/77/78/1344837778.db2.gz WSTVYFIPVIZFBD-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001378168044 1344837784 /nfs/dbraw/zinc/83/77/84/1344837784.db2.gz WSTVYFIPVIZFBD-VQTJNVASSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001378176822 1344848526 /nfs/dbraw/zinc/84/85/26/1344848526.db2.gz GUIBIHZICXTZLN-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001378176822 1344848530 /nfs/dbraw/zinc/84/85/30/1344848530.db2.gz GUIBIHZICXTZLN-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378176853 1344848768 /nfs/dbraw/zinc/84/87/68/1344848768.db2.gz GUIBIHZICXTZLN-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001378176853 1344848771 /nfs/dbraw/zinc/84/87/71/1344848771.db2.gz GUIBIHZICXTZLN-WOJBJXKFSA-N 1 3 345.531 2.922 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001378178842 1344850188 /nfs/dbraw/zinc/85/01/88/1344850188.db2.gz VGYGOVSCIAZFNH-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc(Cl)cc1 ZINC001378178842 1344850192 /nfs/dbraw/zinc/85/01/92/1344850192.db2.gz VGYGOVSCIAZFNH-CQSZACIVSA-N 1 3 325.884 2.618 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@H+](C)CC/C=C\c1ccccc1 ZINC001378207233 1344889170 /nfs/dbraw/zinc/88/91/70/1344889170.db2.gz VHYKSNHKXPNHGG-MRDWYFFCSA-N 1 3 340.471 2.801 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[N@@H+](C)CC/C=C\c1ccccc1 ZINC001378207233 1344889173 /nfs/dbraw/zinc/88/91/73/1344889173.db2.gz VHYKSNHKXPNHGG-MRDWYFFCSA-N 1 3 340.471 2.801 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1cccc(F)c1 ZINC001378234980 1344918697 /nfs/dbraw/zinc/91/86/97/1344918697.db2.gz QSVIMFFLADBTQX-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(Cl)s1 ZINC001378256197 1344935121 /nfs/dbraw/zinc/93/51/21/1344935121.db2.gz RFIODNWNLIZWPU-LBPRGKRZSA-N 1 3 343.924 2.870 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)Cc1c[nH]cn1)[NH2+]CC=C(Cl)Cl ZINC001378384424 1345030358 /nfs/dbraw/zinc/03/03/58/1345030358.db2.gz VZHLRLUNPAWBLG-ZDUSSCGKSA-N 1 3 347.290 2.734 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2)CC1)N(C)C ZINC001378452710 1345088837 /nfs/dbraw/zinc/08/88/37/1345088837.db2.gz JFZUDOSRADRSMZ-LNLFQRSKSA-N 1 3 347.503 2.552 20 0 EFADHO CC[C@@H](C(=O)NCCC1CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001378482139 1345115392 /nfs/dbraw/zinc/11/53/92/1345115392.db2.gz FJGXUYGCZCQQTL-FQEVSTJZSA-N 1 3 345.531 2.788 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001378516425 1345135882 /nfs/dbraw/zinc/13/58/82/1345135882.db2.gz WNLJYLHRWULQPV-MJGOQNOKSA-N 1 3 347.478 2.735 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001378580302 1345176816 /nfs/dbraw/zinc/17/68/16/1345176816.db2.gz OCQALFASHCSSAX-YOEHRIQHSA-N 1 3 339.911 2.768 20 0 EFADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001378580145 1345176888 /nfs/dbraw/zinc/17/68/88/1345176888.db2.gz NSZIXSSTVLZFAE-RHSMWYFYSA-N 1 3 331.460 2.615 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2c(C)cccc2C)C1)N(C)C ZINC001378587853 1345182675 /nfs/dbraw/zinc/18/26/75/1345182675.db2.gz VEOGBYGRCKQGDT-APWZRJJASA-N 1 3 331.504 2.580 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1sccc1Cl)N(C)C ZINC001378603417 1345192367 /nfs/dbraw/zinc/19/23/67/1345192367.db2.gz IJPDGPZAYQALKI-AAEUAGOBSA-N 1 3 331.913 2.584 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001378626525 1345206585 /nfs/dbraw/zinc/20/65/85/1345206585.db2.gz WSEDMXSMSRPMSJ-STQMWFEESA-N 1 3 332.423 2.503 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CCCC1)N(C)C ZINC001378687391 1345249106 /nfs/dbraw/zinc/24/91/06/1345249106.db2.gz CTTVMYHNCNWMLO-GOSISDBHSA-N 1 3 349.494 2.993 20 0 EFADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]Cc3ccccc3F)CCCC2)C1 ZINC001378706714 1345262196 /nfs/dbraw/zinc/26/21/96/1345262196.db2.gz AYIPMXSBRPYUQA-INIZCTEOSA-N 1 3 347.478 2.686 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccccc3F)CCCC2)CC[N@@H+]1C ZINC001378745768 1345289460 /nfs/dbraw/zinc/28/94/60/1345289460.db2.gz WRWDQIFZBFZXQK-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@@H]1[C@H](C(=O)NCC2(NCc3ccccc3F)CCCC2)CC[N@H+]1C ZINC001378745768 1345289462 /nfs/dbraw/zinc/28/94/62/1345289462.db2.gz WRWDQIFZBFZXQK-NVXWUHKLSA-N 1 3 347.478 2.685 20 0 EFADHO C[C@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001378774005 1345306184 /nfs/dbraw/zinc/30/61/84/1345306184.db2.gz ITMNTDHZBGTHKX-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@H+](Cc1ccccc1C)C2 ZINC001378798922 1345322698 /nfs/dbraw/zinc/32/26/98/1345322698.db2.gz WWFZGZXNTCWXDD-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1C)C2 ZINC001378798922 1345322703 /nfs/dbraw/zinc/32/27/03/1345322703.db2.gz WWFZGZXNTCWXDD-UHFFFAOYSA-N 1 3 343.515 2.761 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)s1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001378811916 1345332580 /nfs/dbraw/zinc/33/25/80/1345332580.db2.gz MVFMASZSEIYWLJ-LBPRGKRZSA-N 1 3 343.924 2.680 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2CC)[C@@H](C)C1 ZINC001378895651 1345404362 /nfs/dbraw/zinc/40/43/62/1345404362.db2.gz JJCIOEIBCRPVKV-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CC1CC(C[N@H+](C)CCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001378914926 1345420490 /nfs/dbraw/zinc/42/04/90/1345420490.db2.gz HHAAUNMGFLCESL-UHFFFAOYSA-N 1 3 332.492 2.559 20 0 EFADHO CC1CC(C[N@@H+](C)CCC2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001378914926 1345420494 /nfs/dbraw/zinc/42/04/94/1345420494.db2.gz HHAAUNMGFLCESL-UHFFFAOYSA-N 1 3 332.492 2.559 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001379028431 1345509550 /nfs/dbraw/zinc/50/95/50/1345509550.db2.gz VJZIJJBZBXLBOL-UXHICEINSA-N 1 3 345.531 2.908 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379083786 1345561115 /nfs/dbraw/zinc/56/11/15/1345561115.db2.gz LKTFMRFZWSCEBV-OXQOHEQNSA-N 1 3 343.515 2.721 20 0 EFADHO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCN1C ZINC001379083786 1345561118 /nfs/dbraw/zinc/56/11/18/1345561118.db2.gz LKTFMRFZWSCEBV-OXQOHEQNSA-N 1 3 343.515 2.721 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@H+](C)CC/C=C/c2ccccc2)C1 ZINC001379100365 1345576828 /nfs/dbraw/zinc/57/68/28/1345576828.db2.gz SIACZOVHHYICSH-SSVWKNEZSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H]1CCN(CC(=O)N(C)CC[N@@H+](C)CC/C=C/c2ccccc2)C1 ZINC001379100365 1345576833 /nfs/dbraw/zinc/57/68/33/1345576833.db2.gz SIACZOVHHYICSH-SSVWKNEZSA-N 1 3 343.515 2.822 20 0 EFADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C\c1ccccc1 ZINC001379142819 1345619814 /nfs/dbraw/zinc/61/98/14/1345619814.db2.gz BGHIFSPYGJTMCM-SAYIFAPPSA-N 1 3 329.488 2.621 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/c1ccccc1 ZINC001379142820 1345620480 /nfs/dbraw/zinc/62/04/80/1345620480.db2.gz BGHIFSPYGJTMCM-UEICXMAYSA-N 1 3 329.488 2.621 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152030 1345628808 /nfs/dbraw/zinc/62/88/08/1345628808.db2.gz PYKRPRBXJYZHIQ-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO CN(CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1)CC(C)(C)C ZINC001379152030 1345628811 /nfs/dbraw/zinc/62/88/11/1345628811.db2.gz PYKRPRBXJYZHIQ-QZTJIDSGSA-N 1 3 335.536 2.687 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C2(N(C)C)CCC2)cs1 ZINC001379157803 1345632206 /nfs/dbraw/zinc/63/22/06/1345632206.db2.gz SBSSGBZKEZELPB-SJORKVTESA-N 1 3 349.544 2.915 20 0 EFADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)c1ccccc1F ZINC001379232036 1345671765 /nfs/dbraw/zinc/67/17/65/1345671765.db2.gz VDMPQBMRIRZJAK-CABCVRRESA-N 1 3 335.467 2.665 20 0 EFADHO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)CN(C)CC(C)(C)C ZINC001379422732 1345777576 /nfs/dbraw/zinc/77/75/76/1345777576.db2.gz XMQFCYVMNVXFGQ-HUUCEWRRSA-N 1 3 337.483 2.959 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C ZINC001379449466 1345790313 /nfs/dbraw/zinc/79/03/13/1345790313.db2.gz LUXSUCSUIOLHEK-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO C[C@@H](CNCc1ccc(Cl)s1)NC(=O)CC[NH+]1CCCCC1 ZINC001379598352 1345909550 /nfs/dbraw/zinc/90/95/50/1345909550.db2.gz LNTUQUCEWYEDOX-ZDUSSCGKSA-N 1 3 343.924 2.872 20 0 EFADHO CC(C)[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CN(C)CC(C)(C)C ZINC001418752977 1374460401 /nfs/dbraw/zinc/46/04/01/1374460401.db2.gz VOFOQTXLTONIKP-IRXDYDNUSA-N 1 3 325.541 2.980 20 0 EFADHO CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379683678 1347257178 /nfs/dbraw/zinc/25/71/78/1347257178.db2.gz TWYLOAZMMDBQEL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CCc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2(N(C)C)CCC2)cc1 ZINC001379683678 1347257182 /nfs/dbraw/zinc/25/71/82/1347257182.db2.gz TWYLOAZMMDBQEL-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO C[C@H](CN(C)[C@@H]1CCc2c1cccc2F)NC(=O)CCC[NH+](C)C ZINC001379721403 1347285531 /nfs/dbraw/zinc/28/55/31/1347285531.db2.gz FRJZASBDPLLNKH-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001379750413 1347305762 /nfs/dbraw/zinc/30/57/62/1347305762.db2.gz OAGVSZPSJAQTSF-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1C)N(C)C ZINC001379750413 1347305765 /nfs/dbraw/zinc/30/57/65/1347305765.db2.gz OAGVSZPSJAQTSF-PBHICJAKSA-N 1 3 339.911 2.925 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001379771000 1347322024 /nfs/dbraw/zinc/32/20/24/1347322024.db2.gz YGVPBJFKPUSLLQ-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001379771000 1347322027 /nfs/dbraw/zinc/32/20/27/1347322027.db2.gz YGVPBJFKPUSLLQ-ZFWWWQNUSA-N 1 3 333.467 2.589 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)CN(C)C2CCC2)C2CC2)c1 ZINC001379878161 1347383704 /nfs/dbraw/zinc/38/37/04/1347383704.db2.gz PKQYZIJMBOULRI-FQEVSTJZSA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1CC1 ZINC001379901979 1347396616 /nfs/dbraw/zinc/39/66/16/1347396616.db2.gz JNXNGBYUPBVKCN-RTBURBONSA-N 1 3 331.504 2.566 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](CC)C1 ZINC001379935879 1347413386 /nfs/dbraw/zinc/41/33/86/1347413386.db2.gz TWXLVHHXZCPKSO-VQIMIIECSA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[C@H](C(=O)NCC1(NCc2ccc(Cl)cc2)CC1)[NH+](C)C ZINC001380135041 1347527694 /nfs/dbraw/zinc/52/76/94/1347527694.db2.gz KBVGIOGULYIZDF-MRXNPFEDSA-N 1 3 337.895 2.665 20 0 EFADHO Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC001380170129 1347546154 /nfs/dbraw/zinc/54/61/54/1347546154.db2.gz FOMQXEOPNJPQGA-CTWPCTMYSA-N 1 3 331.504 2.660 20 0 EFADHO Cc1cc(CNC2(CNC(=O)CCC[NH+]3CCCC3)CC2)cs1 ZINC001380171788 1347547238 /nfs/dbraw/zinc/54/72/38/1347547238.db2.gz MRPYYNFVXCZAPP-UHFFFAOYSA-N 1 3 335.517 2.671 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC(F)(F)F)C[C@@H]2C)CC1 ZINC001380274944 1347564739 /nfs/dbraw/zinc/56/47/39/1347564739.db2.gz XFEKHUUVHYKPLG-LSDHHAIUSA-N 1 3 349.441 2.640 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001380280808 1347566879 /nfs/dbraw/zinc/56/68/79/1347566879.db2.gz BUHHXSKNULUTEZ-HXUWFJFHSA-N 1 3 343.515 2.598 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC001380284053 1347568472 /nfs/dbraw/zinc/56/84/72/1347568472.db2.gz JYWCFXBZJSESJW-IBGZPJMESA-N 1 3 343.515 2.986 20 0 EFADHO CN(CC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001380401794 1347648476 /nfs/dbraw/zinc/64/84/76/1347648476.db2.gz RCGUQANEUDYTBD-HXUWFJFHSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2C)C1 ZINC001380416682 1347657371 /nfs/dbraw/zinc/65/73/71/1347657371.db2.gz BQPNRERHOHRALL-HXUWFJFHSA-N 1 3 331.504 2.665 20 0 EFADHO CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1)c1ccccc1 ZINC001380419406 1347659129 /nfs/dbraw/zinc/65/91/29/1347659129.db2.gz GTYLIIIFUZPHSH-ICSRJNTNSA-N 1 3 340.471 2.932 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001380420134 1347659385 /nfs/dbraw/zinc/65/93/85/1347659385.db2.gz DZRBPBUATDTWLZ-FPOVZHCZSA-N 1 3 345.531 2.909 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001380482194 1347711520 /nfs/dbraw/zinc/71/15/20/1347711520.db2.gz KKASNWFNGXEJIW-KRWDZBQOSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN(C)CC(=O)NC[C@]1(C)CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001380482194 1347711524 /nfs/dbraw/zinc/71/15/24/1347711524.db2.gz KKASNWFNGXEJIW-KRWDZBQOSA-N 1 3 345.478 2.592 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(F)(F)C2)CCC1 ZINC001380860914 1347920332 /nfs/dbraw/zinc/92/03/32/1347920332.db2.gz VQGZTHAPWAPKOB-OAHLLOKOSA-N 1 3 343.462 2.535 20 0 EFADHO CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCC2)CCC1)N1CCCCC1 ZINC001380904305 1347947391 /nfs/dbraw/zinc/94/73/91/1347947391.db2.gz ZQFXVOBBHAMBNB-GOSISDBHSA-N 1 3 335.536 2.926 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC001380931901 1347964642 /nfs/dbraw/zinc/96/46/42/1347964642.db2.gz OYCNPAHWSGXJEW-SFHVURJKSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001380931901 1347964645 /nfs/dbraw/zinc/96/46/45/1347964645.db2.gz OYCNPAHWSGXJEW-SFHVURJKSA-N 1 3 329.488 2.642 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCN1C ZINC001380950563 1347980216 /nfs/dbraw/zinc/98/02/16/1347980216.db2.gz VRHUBONIUKODMS-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(CF)cc1)C(=O)[C@@H]1CCCN1C ZINC001380950563 1347980219 /nfs/dbraw/zinc/98/02/19/1347980219.db2.gz VRHUBONIUKODMS-SFHVURJKSA-N 1 3 335.467 2.531 20 0 EFADHO Cc1ncccc1C[N@@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001380968168 1347992116 /nfs/dbraw/zinc/99/21/16/1347992116.db2.gz WBZYPUYLQLMDAU-UHFFFAOYSA-N 1 3 348.535 2.648 20 0 EFADHO Cc1ncccc1C[N@H+](C)CCCN(C)C(=O)CN(C)CC(C)(C)C ZINC001380968168 1347992120 /nfs/dbraw/zinc/99/21/20/1347992120.db2.gz WBZYPUYLQLMDAU-UHFFFAOYSA-N 1 3 348.535 2.648 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC001381101105 1348076226 /nfs/dbraw/zinc/07/62/26/1348076226.db2.gz IFJOCMNGMXQFBV-AEFFLSMTSA-N 1 3 331.504 2.601 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCc2ccccc2F)[C@@H](C)C1 ZINC001381172368 1348120374 /nfs/dbraw/zinc/12/03/74/1348120374.db2.gz MEPWVUUJGHTOPF-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCc2ccccc2F)[C@@H](C)C1 ZINC001381172368 1348120375 /nfs/dbraw/zinc/12/03/75/1348120375.db2.gz MEPWVUUJGHTOPF-WMZOPIPTSA-N 1 3 349.494 2.679 20 0 EFADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001381194611 1348132695 /nfs/dbraw/zinc/13/26/95/1348132695.db2.gz ZXQAQUISHTZJEI-HNNXBMFYSA-N 1 3 343.471 2.902 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001381249352 1348164200 /nfs/dbraw/zinc/16/42/00/1348164200.db2.gz YXJTWERUOACATA-LJQANCHMSA-N 1 3 331.504 2.844 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001381249352 1348164204 /nfs/dbraw/zinc/16/42/04/1348164204.db2.gz YXJTWERUOACATA-LJQANCHMSA-N 1 3 331.504 2.844 20 0 EFADHO CC[N@H+](CC1CC1)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001381258796 1348168593 /nfs/dbraw/zinc/16/85/93/1348168593.db2.gz ULSQXNMNTBEBEZ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO CC[N@@H+](CC1CC1)CC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001381258796 1348168595 /nfs/dbraw/zinc/16/85/95/1348168595.db2.gz ULSQXNMNTBEBEZ-UHFFFAOYSA-N 1 3 337.552 2.935 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001381535900 1348338166 /nfs/dbraw/zinc/33/81/66/1348338166.db2.gz UCPZSACXXWNHSI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001381535900 1348338169 /nfs/dbraw/zinc/33/81/69/1348338169.db2.gz UCPZSACXXWNHSI-KRWDZBQOSA-N 1 3 331.504 2.724 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001381587605 1348382288 /nfs/dbraw/zinc/38/22/88/1348382288.db2.gz MJCXPYHMDSMKMZ-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1)N(C)C ZINC001381587605 1348382291 /nfs/dbraw/zinc/38/22/91/1348382291.db2.gz MJCXPYHMDSMKMZ-BBRMVZONSA-N 1 3 325.884 2.617 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001381602189 1348394937 /nfs/dbraw/zinc/39/49/37/1348394937.db2.gz BYWCZOROBBPHLE-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccc(Cl)cc1)N(C)C ZINC001381602189 1348394938 /nfs/dbraw/zinc/39/49/38/1348394938.db2.gz BYWCZOROBBPHLE-PBHICJAKSA-N 1 3 339.911 2.659 20 0 EFADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)N(C)Cc1ccc(F)cc1 ZINC001381622771 1348412246 /nfs/dbraw/zinc/41/22/46/1348412246.db2.gz WQRWSCVHCWUQRE-MRXNPFEDSA-N 1 3 335.467 2.638 20 0 EFADHO Cc1ccccc1C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001381811423 1348543154 /nfs/dbraw/zinc/54/31/54/1348543154.db2.gz ZITQWNWRBCPWIH-QFBILLFUSA-N 1 3 331.504 2.518 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001381936438 1348615310 /nfs/dbraw/zinc/61/53/10/1348615310.db2.gz YSYPKJYQFLPVQM-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCCC2(CN(C(=O)CN3CC[C@H](C)C3)C2)C1 ZINC001381936438 1348615315 /nfs/dbraw/zinc/61/53/15/1348615315.db2.gz YSYPKJYQFLPVQM-RBUKOAKNSA-N 1 3 349.563 2.935 20 0 EFADHO C[N@H+](CCCc1ccsc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001381985193 1348640990 /nfs/dbraw/zinc/64/09/90/1348640990.db2.gz NDAVJTNSYWMELD-UHFFFAOYSA-N 1 3 346.500 2.569 20 0 EFADHO C[N@@H+](CCCc1ccsc1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001381985193 1348640993 /nfs/dbraw/zinc/64/09/93/1348640993.db2.gz NDAVJTNSYWMELD-UHFFFAOYSA-N 1 3 346.500 2.569 20 0 EFADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001382053282 1348686996 /nfs/dbraw/zinc/68/69/96/1348686996.db2.gz BZFVEUZQYOUVBD-BLLLJJGKSA-N 1 3 341.858 2.510 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CN(C)C1CCC1 ZINC001382098249 1348718182 /nfs/dbraw/zinc/71/81/82/1348718182.db2.gz ZZSAHJKCYDZIDH-SJORKVTESA-N 1 3 331.504 2.977 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]Cc1cccc(F)c1 ZINC001382125256 1348745764 /nfs/dbraw/zinc/74/57/64/1348745764.db2.gz PNDQTGCYJXMFGV-HNNXBMFYSA-N 1 3 337.483 2.740 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)N(C)C)cc1F ZINC001382163760 1348786189 /nfs/dbraw/zinc/78/61/89/1348786189.db2.gz WYBJCSZUTQGBSD-MAUKXSAKSA-N 1 3 337.483 2.657 20 0 EFADHO C[C@@H]1C[C@@H](NCc2ccccc2F)CN1C(=O)CCC[NH+]1CCCC1 ZINC001382307327 1348858809 /nfs/dbraw/zinc/85/88/09/1348858809.db2.gz FQVDRNHDLRXXNR-SJLPKXTDSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(CC)c2)C[C@@H]1C ZINC001382320789 1348868404 /nfs/dbraw/zinc/86/84/04/1348868404.db2.gz YMVVDWYHTIKWFG-LPHOPBHVSA-N 1 3 331.504 2.670 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc3c(c2)CCC3)C1 ZINC001382589209 1349036746 /nfs/dbraw/zinc/03/67/46/1349036746.db2.gz LKXYESDQXBJAEN-UHFFFAOYSA-N 1 3 343.515 2.596 20 0 EFADHO CC(C)C[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001382598592 1349043721 /nfs/dbraw/zinc/04/37/21/1349043721.db2.gz NMLJNXUEHREWGJ-UHFFFAOYSA-N 1 3 335.467 2.672 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001394129909 1357509112 /nfs/dbraw/zinc/50/91/12/1357509112.db2.gz OMDKMLPQELDPHL-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccc2ncccc2c1 ZINC001394129909 1357509116 /nfs/dbraw/zinc/50/91/16/1357509116.db2.gz OMDKMLPQELDPHL-MRXNPFEDSA-N 1 3 342.487 2.513 20 0 EFADHO C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CN(Cc2ccccc2)C1 ZINC001394232365 1357622430 /nfs/dbraw/zinc/62/24/30/1357622430.db2.gz LFZOYKBWKOTJLT-KRWDZBQOSA-N 1 3 343.515 2.888 20 0 EFADHO Cc1cccc([C@@H](C)[NH+]2CC([C@H](C)NC(=O)CN(C)C3CCC3)C2)c1 ZINC001394229680 1357620161 /nfs/dbraw/zinc/62/01/61/1357620161.db2.gz QSBOVUPTIRUYIA-DLBZAZTESA-N 1 3 343.515 2.977 20 0 EFADHO CN(C[C@H]1CCN1CCc1cccs1)C(=O)CCC[NH+]1CCCC1 ZINC001388667698 1352907700 /nfs/dbraw/zinc/90/77/00/1352907700.db2.gz VZFXXIFJCUTHGX-QGZVFWFLSA-N 1 3 349.544 2.699 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001388687478 1352921061 /nfs/dbraw/zinc/92/10/61/1352921061.db2.gz MVGMWELUXFZPML-HLNWXESRSA-N 1 3 343.515 2.882 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)N(C)C ZINC001388700070 1352931119 /nfs/dbraw/zinc/93/11/19/1352931119.db2.gz UYVNSONAOWIHDJ-UHOSZYNNSA-N 1 3 331.504 2.628 20 0 EFADHO CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001388714728 1352942548 /nfs/dbraw/zinc/94/25/48/1352942548.db2.gz JIBMWPRKFDAWSX-VNGAXPGBSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1ccc(F)cc1 ZINC001388722127 1352949980 /nfs/dbraw/zinc/94/99/80/1352949980.db2.gz SGCLEVRRGIQNFU-MPGHIAIKSA-N 1 3 347.478 2.855 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001388765990 1352990178 /nfs/dbraw/zinc/99/01/78/1352990178.db2.gz ZRKVCEQCPLFDDD-GEZBDVBVSA-N 1 3 341.927 2.784 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CCN(C/C=C\Cl)CC2 ZINC001388765990 1352990181 /nfs/dbraw/zinc/99/01/81/1352990181.db2.gz ZRKVCEQCPLFDDD-GEZBDVBVSA-N 1 3 341.927 2.784 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)c3)CC[C@@H]2C1 ZINC001388789819 1353018334 /nfs/dbraw/zinc/01/83/34/1353018334.db2.gz HDRZSWZKIQUDSG-MSOLQXFVSA-N 1 3 349.544 2.679 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)c3)CC[C@@H]2C1 ZINC001388789819 1353018342 /nfs/dbraw/zinc/01/83/42/1353018342.db2.gz HDRZSWZKIQUDSG-MSOLQXFVSA-N 1 3 349.544 2.679 20 0 EFADHO C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001389341887 1353317167 /nfs/dbraw/zinc/31/71/67/1353317167.db2.gz IBLVQIWNPUCWBT-PBHICJAKSA-N 1 3 346.500 2.616 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001389510585 1353442001 /nfs/dbraw/zinc/44/20/01/1353442001.db2.gz NWQQNVLAGRWRMP-IJQANDGASA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1)N(C)C ZINC001389510585 1353442003 /nfs/dbraw/zinc/44/20/03/1353442003.db2.gz NWQQNVLAGRWRMP-IJQANDGASA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001389853579 1353649413 /nfs/dbraw/zinc/64/94/13/1353649413.db2.gz JCYFCDKEIIVLFY-ULQDDVLXSA-N 1 3 329.488 2.777 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001389898962 1353675762 /nfs/dbraw/zinc/67/57/62/1353675762.db2.gz MBPLHTSNUAXHDB-MGHWNKPDSA-N 1 3 335.467 2.710 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001390048081 1353766247 /nfs/dbraw/zinc/76/62/47/1353766247.db2.gz XBPULSNXROKHOQ-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001390048081 1353766252 /nfs/dbraw/zinc/76/62/52/1353766252.db2.gz XBPULSNXROKHOQ-KRWDZBQOSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCc2ccccc2)C1)N(C)C ZINC001390057582 1353772238 /nfs/dbraw/zinc/77/22/38/1353772238.db2.gz GNXUMCYBVIENLA-WOJBJXKFSA-N 1 3 345.531 2.644 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N(C)C ZINC001390057582 1353772241 /nfs/dbraw/zinc/77/22/41/1353772241.db2.gz GNXUMCYBVIENLA-WOJBJXKFSA-N 1 3 345.531 2.644 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001390160880 1353877150 /nfs/dbraw/zinc/87/71/50/1353877150.db2.gz LVGMTGJVPIQGGE-GRLYAWNKSA-N 1 3 329.916 2.688 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCCN(C/C=C/Cl)C1 ZINC001390160880 1353877155 /nfs/dbraw/zinc/87/71/55/1353877155.db2.gz LVGMTGJVPIQGGE-GRLYAWNKSA-N 1 3 329.916 2.688 20 0 EFADHO CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CN(C)CC(C)(C)C)C1 ZINC001390201484 1353920216 /nfs/dbraw/zinc/92/02/16/1353920216.db2.gz UJJXWCZDLFVOPU-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO C[NH+](C)CCCC(=O)NC1CCC(NC/C(Cl)=C\Cl)CC1 ZINC001390265928 1353964118 /nfs/dbraw/zinc/96/41/18/1353964118.db2.gz PHDAVBNNGXYTOD-ZRDIBKRKSA-N 1 3 336.307 2.664 20 0 EFADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001390513600 1354139399 /nfs/dbraw/zinc/13/93/99/1354139399.db2.gz ZHHCZFOSOVXDCX-INIZCTEOSA-N 1 3 327.472 2.776 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001390619948 1354217255 /nfs/dbraw/zinc/21/72/55/1354217255.db2.gz SHBVIJBLVXBEGM-ZWKOTPCHSA-N 1 3 329.488 2.688 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccccc3)C2)CCC1 ZINC001390619933 1354217354 /nfs/dbraw/zinc/21/73/54/1354217354.db2.gz SHBVIJBLVXBEGM-MSOLQXFVSA-N 1 3 329.488 2.688 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1)N(C)C ZINC001390700675 1354292787 /nfs/dbraw/zinc/29/27/87/1354292787.db2.gz LADFMPZCOCAFOQ-CXAGYDPISA-N 1 3 341.446 2.535 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)N(C)C ZINC001390713132 1354304014 /nfs/dbraw/zinc/30/40/14/1354304014.db2.gz QTIFCCGKKZTZOH-QAPCUYQASA-N 1 3 337.483 2.705 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)[C@H]2CCCc3ccccc32)CCC1 ZINC001390766845 1354353966 /nfs/dbraw/zinc/35/39/66/1354353966.db2.gz WWURKTWMHRPJFU-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)[C@H]2CCCc3ccccc32)CCC1 ZINC001390766845 1354353971 /nfs/dbraw/zinc/35/39/71/1354353971.db2.gz WWURKTWMHRPJFU-SFHVURJKSA-N 1 3 329.488 2.596 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001390816114 1354402719 /nfs/dbraw/zinc/40/27/19/1354402719.db2.gz GUAWHBADGKIDJR-OXJNMPFZSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001390816114 1354402722 /nfs/dbraw/zinc/40/27/22/1354402722.db2.gz GUAWHBADGKIDJR-OXJNMPFZSA-N 1 3 345.531 2.871 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001390849578 1354433064 /nfs/dbraw/zinc/43/30/64/1354433064.db2.gz HFKJDULPPJVOPT-IBGZPJMESA-N 1 3 349.494 2.983 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCCN(C)[C@H]1CCCc2ccc(F)cc21 ZINC001390849578 1354433067 /nfs/dbraw/zinc/43/30/67/1354433067.db2.gz HFKJDULPPJVOPT-IBGZPJMESA-N 1 3 349.494 2.983 20 0 EFADHO Cc1cc(Cl)ccc1CN(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001390850693 1354433550 /nfs/dbraw/zinc/43/35/50/1354433550.db2.gz PJQYBKAQGIALNN-QGZVFWFLSA-N 1 3 339.911 2.783 20 0 EFADHO CCc1cccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001390863166 1354445664 /nfs/dbraw/zinc/44/56/64/1354445664.db2.gz JXNAWKITWCTFSY-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1cccc(C[N@H+](C)CCNC(=O)[C@H]2CCCCN2CC)c1 ZINC001390863166 1354445669 /nfs/dbraw/zinc/44/56/69/1354445669.db2.gz JXNAWKITWCTFSY-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(C[N@@H+](C)CCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001390864584 1354446887 /nfs/dbraw/zinc/44/68/87/1354446887.db2.gz PCKSBHZUCSKCPS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccc(C[N@H+](C)CCNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001390864584 1354446891 /nfs/dbraw/zinc/44/68/91/1354446891.db2.gz PCKSBHZUCSKCPS-LJQANCHMSA-N 1 3 331.504 2.671 20 0 EFADHO CC[N@@H+](C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCN1C ZINC001390948034 1354569658 /nfs/dbraw/zinc/56/96/58/1354569658.db2.gz BOHXCRBAKLZKJY-WLPBJKJWSA-N 1 3 349.906 2.886 20 0 EFADHO CC[N@H+](C/C=C\c1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCN1C ZINC001390948034 1354569662 /nfs/dbraw/zinc/56/96/62/1354569662.db2.gz BOHXCRBAKLZKJY-WLPBJKJWSA-N 1 3 349.906 2.886 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC001391019767 1354695190 /nfs/dbraw/zinc/69/51/90/1354695190.db2.gz JMHYHNGKDXPXBZ-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC001391019767 1354695193 /nfs/dbraw/zinc/69/51/93/1354695193.db2.gz JMHYHNGKDXPXBZ-LJQANCHMSA-N 1 3 347.503 2.508 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001391069186 1354760217 /nfs/dbraw/zinc/76/02/17/1354760217.db2.gz LGKLEYFHYNJJFN-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001391069186 1354760219 /nfs/dbraw/zinc/76/02/19/1354760219.db2.gz LGKLEYFHYNJJFN-RBUKOAKNSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001391069195 1354760777 /nfs/dbraw/zinc/76/07/77/1354760777.db2.gz LGKLEYFHYNJJFN-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001391069195 1354760780 /nfs/dbraw/zinc/76/07/80/1354760780.db2.gz LGKLEYFHYNJJFN-RTBURBONSA-N 1 3 331.504 2.662 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CC3CCCCCC3)C2)CCC1 ZINC001391091216 1354783006 /nfs/dbraw/zinc/78/30/06/1354783006.db2.gz DDJKFZOVTRUFIH-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CC3CCCCCC3)C2)CCC1 ZINC001391091216 1354783014 /nfs/dbraw/zinc/78/30/14/1354783014.db2.gz DDJKFZOVTRUFIH-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097636 1354791321 /nfs/dbraw/zinc/79/13/21/1354791321.db2.gz NSDOMNIWJJNWMA-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001391097636 1354791325 /nfs/dbraw/zinc/79/13/25/1354791325.db2.gz NSDOMNIWJJNWMA-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1)N(C)C ZINC001391109755 1354807765 /nfs/dbraw/zinc/80/77/65/1354807765.db2.gz KEQWBSACUBPOIF-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1)N(C)C ZINC001391109755 1354807775 /nfs/dbraw/zinc/80/77/75/1354807775.db2.gz KEQWBSACUBPOIF-YJBOKZPZSA-N 1 3 343.471 2.711 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001391200398 1354928800 /nfs/dbraw/zinc/92/88/00/1354928800.db2.gz VBQSYAYYALPJAR-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)N(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001391200398 1354928805 /nfs/dbraw/zinc/92/88/05/1354928805.db2.gz VBQSYAYYALPJAR-APWZRJJASA-N 1 3 347.478 2.809 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001391221609 1354943906 /nfs/dbraw/zinc/94/39/06/1354943906.db2.gz JRWAWTRLCHDBQP-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001391238547 1354961399 /nfs/dbraw/zinc/96/13/99/1354961399.db2.gz CQADVKBAKLKGIX-MRXNPFEDSA-N 1 3 331.504 2.989 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001391339964 1355096513 /nfs/dbraw/zinc/09/65/13/1355096513.db2.gz OSRZWXBGNBIICV-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001391339964 1355096517 /nfs/dbraw/zinc/09/65/17/1355096517.db2.gz OSRZWXBGNBIICV-QGZVFWFLSA-N 1 3 332.492 2.669 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCCC2CCC2)C1)N(C)C ZINC001391349075 1355107754 /nfs/dbraw/zinc/10/77/54/1355107754.db2.gz BBJVSDCAIMHQAT-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCCC2CCC2)C1)N(C)C ZINC001391349075 1355107759 /nfs/dbraw/zinc/10/77/59/1355107759.db2.gz BBJVSDCAIMHQAT-RBUKOAKNSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)N2CC[C@H](CN(C)C/C=C\Cl)C2)CC1 ZINC001391351265 1355109652 /nfs/dbraw/zinc/10/96/52/1355109652.db2.gz JJQNVLXJAJNYCT-LWAXHKBTSA-N 1 3 341.927 2.640 20 0 EFADHO CC(C)(C(=O)NCC1C[NH+](CC2CCCCC2)C1)N1CCCCC1 ZINC001391476477 1355228248 /nfs/dbraw/zinc/22/82/48/1355228248.db2.gz ASOQVQLSTJIANF-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001391553472 1355300405 /nfs/dbraw/zinc/30/04/05/1355300405.db2.gz NWQQNVLAGRWRMP-IDVICZFGSA-N 1 3 343.515 2.867 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001391553472 1355300410 /nfs/dbraw/zinc/30/04/10/1355300410.db2.gz NWQQNVLAGRWRMP-IDVICZFGSA-N 1 3 343.515 2.867 20 0 EFADHO Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001399399737 1361195430 /nfs/dbraw/zinc/19/54/30/1361195430.db2.gz QHNAUMXHGURHIH-KRWDZBQOSA-N 1 3 333.520 2.957 20 0 EFADHO Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)CN(C)CC(C)(C)C ZINC001399399749 1361195686 /nfs/dbraw/zinc/19/56/86/1361195686.db2.gz QHNAUMXHGURHIH-QGZVFWFLSA-N 1 3 333.520 2.957 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391637304 1355384446 /nfs/dbraw/zinc/38/44/46/1355384446.db2.gz RWEFJGULTMVINB-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001391637304 1355384449 /nfs/dbraw/zinc/38/44/49/1355384449.db2.gz RWEFJGULTMVINB-HXUWFJFHSA-N 1 3 343.515 2.550 20 0 EFADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C)cc1C ZINC001391698220 1355444595 /nfs/dbraw/zinc/44/45/95/1355444595.db2.gz TZSRHOKASLOZOH-GOSISDBHSA-N 1 3 331.504 2.772 20 0 EFADHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCc1sccc1Cl ZINC001391747034 1355492231 /nfs/dbraw/zinc/49/22/31/1355492231.db2.gz YZBIYELWCVLTGN-DOMZBBRYSA-N 1 3 345.940 2.972 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001391916951 1355646865 /nfs/dbraw/zinc/64/68/65/1355646865.db2.gz KAPNZSPPVMHDDA-MRXNPFEDSA-N 1 3 331.504 2.630 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC001391940564 1355666589 /nfs/dbraw/zinc/66/65/89/1355666589.db2.gz VAOYOPWVVXYMTK-BBRMVZONSA-N 1 3 325.884 2.522 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCC(F)(F)CC1)N(C)C ZINC001391951790 1355675389 /nfs/dbraw/zinc/67/53/89/1355675389.db2.gz QQPYWZNJGXMSJM-GDBMZVCRSA-N 1 3 347.494 2.740 20 0 EFADHO Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)c(C)s1 ZINC001391954484 1355678443 /nfs/dbraw/zinc/67/84/43/1355678443.db2.gz XWTOCEDBHGZXTM-SUMWQHHRSA-N 1 3 339.549 2.793 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391955939 1355678831 /nfs/dbraw/zinc/67/88/31/1355678831.db2.gz YNUPOSLKBOUQJA-KSSFIOAISA-N 1 3 337.483 2.562 20 0 EFADHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001392120689 1355783083 /nfs/dbraw/zinc/78/30/83/1355783083.db2.gz UCUHLYJMLJWSFQ-OXQOHEQNSA-N 1 3 345.531 2.698 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)cc2C)[C@@H](C)C1 ZINC001392187607 1355842469 /nfs/dbraw/zinc/84/24/69/1355842469.db2.gz YWIDZVQSQLLZMP-QFBILLFUSA-N 1 3 349.494 2.803 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC(CCN(C)C/C=C/Cl)CC1 ZINC001392196886 1355853480 /nfs/dbraw/zinc/85/34/80/1355853480.db2.gz XTVIJHRCHKNRDL-BJMVGYQFSA-N 1 3 329.916 2.641 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC(CCN(C)C/C=C/Cl)CC1 ZINC001392196886 1355853484 /nfs/dbraw/zinc/85/34/84/1355853484.db2.gz XTVIJHRCHKNRDL-BJMVGYQFSA-N 1 3 329.916 2.641 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001392277407 1355933443 /nfs/dbraw/zinc/93/34/43/1355933443.db2.gz OSWGDJSXEICLFE-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001392277407 1355933447 /nfs/dbraw/zinc/93/34/47/1355933447.db2.gz OSWGDJSXEICLFE-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001392278694 1355933939 /nfs/dbraw/zinc/93/39/39/1355933939.db2.gz IUYDFXFOMPVYHW-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)Cc1ccc(CF)cc1 ZINC001392278694 1355933942 /nfs/dbraw/zinc/93/39/42/1355933942.db2.gz IUYDFXFOMPVYHW-LJQANCHMSA-N 1 3 349.494 2.921 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001392315754 1355975442 /nfs/dbraw/zinc/97/54/42/1355975442.db2.gz UWRVARJTXNUUNQ-ROUUACIJSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)N(C)C ZINC001392315754 1355975445 /nfs/dbraw/zinc/97/54/45/1355975445.db2.gz UWRVARJTXNUUNQ-ROUUACIJSA-N 1 3 335.467 2.543 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392315138 1355975800 /nfs/dbraw/zinc/97/58/00/1355975800.db2.gz RALAXJDCDRFTER-HNNXBMFYSA-N 1 3 333.467 2.542 20 0 EFADHO CC[C@@H](C(=O)N(C)CC[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392315138 1355975806 /nfs/dbraw/zinc/97/58/06/1355975806.db2.gz RALAXJDCDRFTER-HNNXBMFYSA-N 1 3 333.467 2.542 20 0 EFADHO CCN(CC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)CN1CC[C@@H](C)C1 ZINC001392451574 1356046970 /nfs/dbraw/zinc/04/69/70/1356046970.db2.gz BBIMWLDRNZVIND-DNVCBOLYSA-N 1 3 347.478 2.593 20 0 EFADHO CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CN1CC[C@H](C)C1 ZINC001392455187 1356049579 /nfs/dbraw/zinc/04/95/79/1356049579.db2.gz RPFLMMVFLAKURO-JKSUJKDBSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CN1CC[C@H](C)C1 ZINC001392455168 1356049954 /nfs/dbraw/zinc/04/99/54/1356049954.db2.gz RPFLMMVFLAKURO-HOTGVXAUSA-N 1 3 335.467 2.667 20 0 EFADHO CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CN1CC[C@@H](C)C1 ZINC001392455158 1356050028 /nfs/dbraw/zinc/05/00/28/1356050028.db2.gz RPFLMMVFLAKURO-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001392475663 1356060813 /nfs/dbraw/zinc/06/08/13/1356060813.db2.gz HGTNUYJXXFWRPF-MRXNPFEDSA-N 1 3 347.503 2.554 20 0 EFADHO C[C@H](C[NH2+]Cc1cc2ccccc2o1)NC(=O)CN(C)C1CCC1 ZINC001392483499 1356066830 /nfs/dbraw/zinc/06/68/30/1356066830.db2.gz YRGSQXHGWYTAIS-CQSZACIVSA-N 1 3 329.444 2.511 20 0 EFADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)c1ccc2c(c1)CCC2 ZINC001392567335 1356125879 /nfs/dbraw/zinc/12/58/79/1356125879.db2.gz JAAOPNDAZBNHKR-JKSUJKDBSA-N 1 3 343.515 2.815 20 0 EFADHO Cc1cccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392659016 1356206050 /nfs/dbraw/zinc/20/60/50/1356206050.db2.gz ICTYQFWHKXHULO-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cccc(CCC[N@H+](C)C[C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC001392659016 1356206055 /nfs/dbraw/zinc/20/60/55/1356206055.db2.gz ICTYQFWHKXHULO-GOSISDBHSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1cc(CN(C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c(C)s1 ZINC001392692161 1356245434 /nfs/dbraw/zinc/24/54/34/1356245434.db2.gz UONIFERRHGCNSO-CYBMUJFWSA-N 1 3 325.522 2.643 20 0 EFADHO C[C@H](CN(C)Cc1cc2ccccc2o1)NC(=O)CCC[NH+](C)C ZINC001392692937 1356246336 /nfs/dbraw/zinc/24/63/36/1356246336.db2.gz XMCHXJYMCYSVQO-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718265 1356272930 /nfs/dbraw/zinc/27/29/30/1356272930.db2.gz CFSSSZLBZYHYJP-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(F)(F)CC1)N(C)C ZINC001392718265 1356272933 /nfs/dbraw/zinc/27/29/33/1356272933.db2.gz CFSSSZLBZYHYJP-GOEBONIOSA-N 1 3 347.494 2.835 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392718629 1356273914 /nfs/dbraw/zinc/27/39/14/1356273914.db2.gz DXAXFNRGTCHTSN-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C ZINC001392718629 1356273917 /nfs/dbraw/zinc/27/39/17/1356273917.db2.gz DXAXFNRGTCHTSN-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001392726703 1356285622 /nfs/dbraw/zinc/28/56/22/1356285622.db2.gz YYYYAFQJPDEXRX-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc2ncccc2c1)N(C)C ZINC001392726703 1356285626 /nfs/dbraw/zinc/28/56/26/1356285626.db2.gz YYYYAFQJPDEXRX-BEFAXECRSA-N 1 3 342.487 2.512 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2CC2)c1 ZINC001392789739 1356328319 /nfs/dbraw/zinc/32/83/19/1356328319.db2.gz UJYCZEBSOCWWBY-WOJBJXKFSA-N 1 3 345.531 2.874 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1ccc(Cl)cc1F)[NH+](C)C ZINC001401628210 1362982005 /nfs/dbraw/zinc/98/20/05/1362982005.db2.gz NEMYMAMDBYIWBQ-WBMJQRKESA-N 1 3 343.874 2.660 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001392908673 1356423250 /nfs/dbraw/zinc/42/32/50/1356423250.db2.gz PXMLCEWDKGBUNU-SFHVURJKSA-N 1 3 347.478 2.747 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(NCc2cc(F)ccc2C)CC1 ZINC001392908673 1356423253 /nfs/dbraw/zinc/42/32/53/1356423253.db2.gz PXMLCEWDKGBUNU-SFHVURJKSA-N 1 3 347.478 2.747 20 0 EFADHO CN1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccc2Cl)CC1 ZINC001392926068 1356437351 /nfs/dbraw/zinc/43/73/51/1356437351.db2.gz RJGANONOYNRNJH-INIZCTEOSA-N 1 3 335.879 2.563 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](CCCF)C2CCCCCC2)CCC1 ZINC001392967170 1356473512 /nfs/dbraw/zinc/47/35/12/1356473512.db2.gz CGIWMCQDDZOSNZ-UHFFFAOYSA-N 1 3 341.515 2.971 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](CCCF)C2CCCCCC2)CCC1 ZINC001392967170 1356473515 /nfs/dbraw/zinc/47/35/15/1356473515.db2.gz CGIWMCQDDZOSNZ-UHFFFAOYSA-N 1 3 341.515 2.971 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@]3(CCN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001392990850 1356496380 /nfs/dbraw/zinc/49/63/80/1356496380.db2.gz IKMJQFFYPQKCDL-WIXQSORDSA-N 1 3 349.563 2.935 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@]3(CCN(C(=O)CN(C)CC(C)(C)C)C3)C2)C1 ZINC001392990850 1356496382 /nfs/dbraw/zinc/49/63/82/1356496382.db2.gz IKMJQFFYPQKCDL-WIXQSORDSA-N 1 3 349.563 2.935 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001393070322 1356557261 /nfs/dbraw/zinc/55/72/61/1356557261.db2.gz KFGPSECKVWQVHE-UHFFFAOYSA-N 1 3 332.492 2.812 20 0 EFADHO Cc1ccc(CN2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001393122498 1356624419 /nfs/dbraw/zinc/62/44/19/1356624419.db2.gz NVIXSRKWJCSFLI-OAQYLSRUSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001393154124 1356658388 /nfs/dbraw/zinc/65/83/88/1356658388.db2.gz BOHFOSNAMZMVIS-FQEVSTJZSA-N 1 3 340.471 2.597 20 0 EFADHO C[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC2)CC1)N1CCCCCC1 ZINC001393187687 1356695499 /nfs/dbraw/zinc/69/54/99/1356695499.db2.gz WTSABRSLHVYZMI-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1ccccc1C[NH2+]C1(CNC(=O)[C@H]2CCCN2C(C)C)CCC1 ZINC001402545125 1363775185 /nfs/dbraw/zinc/77/51/85/1363775185.db2.gz JXLBYFUCLQRQLT-LJQANCHMSA-N 1 3 343.515 2.996 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NCC1(NC/C=C\Cl)CCC1 ZINC001393550718 1356941437 /nfs/dbraw/zinc/94/14/37/1356941437.db2.gz XMFMILHHSFCGGL-SDQBBNPISA-N 1 3 349.906 2.785 20 0 EFADHO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)cs1 ZINC001393569054 1356958557 /nfs/dbraw/zinc/95/85/57/1356958557.db2.gz ZCLRQKHINDLSBA-MRXNPFEDSA-N 1 3 337.533 2.771 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@H+](CCc2cccs2)CC1)C1CCC1 ZINC001393597829 1356981226 /nfs/dbraw/zinc/98/12/26/1356981226.db2.gz JWVLUKRSTLFGPD-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCc2cccs2)CC1)C1CCC1 ZINC001393597829 1356981230 /nfs/dbraw/zinc/98/12/30/1356981230.db2.gz JWVLUKRSTLFGPD-MRXNPFEDSA-N 1 3 349.544 2.746 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@H+](CCc2cccs2)CC1)C1CCC1 ZINC001393597823 1356981607 /nfs/dbraw/zinc/98/16/07/1356981607.db2.gz JWVLUKRSTLFGPD-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CN(CC(=O)N[C@H]1CCC[N@@H+](CCc2cccs2)CC1)C1CCC1 ZINC001393597823 1356981613 /nfs/dbraw/zinc/98/16/13/1356981613.db2.gz JWVLUKRSTLFGPD-INIZCTEOSA-N 1 3 349.544 2.746 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCc2ccccc2)CC1)N(C)C ZINC001393598638 1356983226 /nfs/dbraw/zinc/98/32/26/1356983226.db2.gz UMYSPSVJYBVCJD-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)CC1)N(C)C ZINC001393598638 1356983231 /nfs/dbraw/zinc/98/32/31/1356983231.db2.gz UMYSPSVJYBVCJD-VQTJNVASSA-N 1 3 345.531 2.786 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)N[C@H]1CCCN(C/C=C\Cl)CC1 ZINC001393602419 1356989826 /nfs/dbraw/zinc/98/98/26/1356989826.db2.gz PFTHSNFGPVROLD-IVEQORNPSA-N 1 3 341.927 2.976 20 0 EFADHO CN(CCC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001393614991 1357003722 /nfs/dbraw/zinc/00/37/22/1357003722.db2.gz ZPRHZBCDUBSFOG-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO CN(CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001393614991 1357003732 /nfs/dbraw/zinc/00/37/32/1357003732.db2.gz ZPRHZBCDUBSFOG-MOPGFXCFSA-N 1 3 347.478 2.688 20 0 EFADHO C[C@H]([NH2+][C@H](CNC(=O)C1(N(C)C)CCC1)C1CC1)c1ccccc1 ZINC001436791135 1387299018 /nfs/dbraw/zinc/29/90/18/1387299018.db2.gz LTFYMLHDTBYJKB-MAUKXSAKSA-N 1 3 329.488 2.716 20 0 EFADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2)N(C)C ZINC001394537536 1357923487 /nfs/dbraw/zinc/92/34/87/1357923487.db2.gz GCUIHXVLQQJHDM-OXJNMPFZSA-N 1 3 345.531 2.698 20 0 EFADHO C[C@H](CN(C)C(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001394563488 1357957809 /nfs/dbraw/zinc/95/78/09/1357957809.db2.gz BLCZJGZTPVRQNM-CYBMUJFWSA-N 1 3 345.409 2.751 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC001394856943 1358163582 /nfs/dbraw/zinc/16/35/82/1358163582.db2.gz JXDRMDCYPHDIGF-UHFFFAOYSA-N 1 3 337.895 2.761 20 0 EFADHO CN(C(=O)CCC[NH+]1CCCC1)C1CC(NCc2ccccc2F)C1 ZINC001394860259 1358166948 /nfs/dbraw/zinc/16/69/48/1358166948.db2.gz IXHOZYBMPZFIQT-UHFFFAOYSA-N 1 3 347.478 2.781 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001437074699 1387396048 /nfs/dbraw/zinc/39/60/48/1387396048.db2.gz ZAZDTBUFIWPGBO-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO C[C@H](NC(=O)CN(C)CC(C)(C)C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001437074699 1387396055 /nfs/dbraw/zinc/39/60/55/1387396055.db2.gz ZAZDTBUFIWPGBO-FUHWJXTLSA-N 1 3 337.552 2.981 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1)N(C)C ZINC001397103831 1359679110 /nfs/dbraw/zinc/67/91/10/1359679110.db2.gz VKAZAYGBDQAQSY-MBNYWOFBSA-N 1 3 343.924 2.726 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001397120696 1359687808 /nfs/dbraw/zinc/68/78/08/1359687808.db2.gz MJPUAGRFHGMKKU-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001397169632 1359721340 /nfs/dbraw/zinc/72/13/40/1359721340.db2.gz BZLQAELGDJYVDX-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC)CC[C@@H]1c1ccc(F)cc1 ZINC001397169632 1359721343 /nfs/dbraw/zinc/72/13/43/1359721343.db2.gz BZLQAELGDJYVDX-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)N(C)C ZINC001397600798 1359993573 /nfs/dbraw/zinc/99/35/73/1359993573.db2.gz BZGSKRCNAMUYNM-ZAWLATJESA-N 1 3 331.504 2.818 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001397661669 1360032656 /nfs/dbraw/zinc/03/26/56/1360032656.db2.gz FMPNVUCDZGLLLV-XIRDDKMYSA-N 1 3 337.895 2.665 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C1)N(C)C ZINC001397695304 1360056348 /nfs/dbraw/zinc/05/63/48/1360056348.db2.gz KPOFYJUXRZCALP-OHDICMOHSA-N 1 3 349.494 2.957 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001397694917 1360056822 /nfs/dbraw/zinc/05/68/22/1360056822.db2.gz JMJQDNDUYIWDEQ-IYARVYRRSA-N 1 3 340.471 2.562 20 0 EFADHO CC[C@H](C(=O)N(C)C1CC[NH+](Cc2cccc(C)c2)CC1)N(C)C ZINC001398192033 1360368063 /nfs/dbraw/zinc/36/80/63/1360368063.db2.gz CRFCAKACTSWRSE-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001398210280 1360383116 /nfs/dbraw/zinc/38/31/16/1360383116.db2.gz UIJUZHPCFRAJOU-ZBFHGGJFSA-N 1 3 345.478 2.733 20 0 EFADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001437202314 1387461959 /nfs/dbraw/zinc/46/19/59/1387461959.db2.gz GQSGJFPRHDTJSU-GJZGRUSLSA-N 1 3 337.483 2.959 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1)N(C)C ZINC001398530880 1360628791 /nfs/dbraw/zinc/62/87/91/1360628791.db2.gz BEKIKTDWHFDJQY-IIAWOOMASA-N 1 3 341.858 2.556 20 0 EFADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1)N(C)C ZINC001398537112 1360632897 /nfs/dbraw/zinc/63/28/97/1360632897.db2.gz MYOGZPDARMELAO-BASLNEPJSA-N 1 3 337.895 2.978 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001398537299 1360633001 /nfs/dbraw/zinc/63/30/01/1360633001.db2.gz MWWSKAPKQCOERS-IHRRRGAJSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001398537299 1360633004 /nfs/dbraw/zinc/63/30/04/1360633004.db2.gz MWWSKAPKQCOERS-IHRRRGAJSA-N 1 3 348.318 2.663 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1)N(C)C ZINC001398538863 1360633291 /nfs/dbraw/zinc/63/32/91/1360633291.db2.gz LVHHUGSZHADAPW-LFGUQSLTSA-N 1 3 343.515 2.887 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001398539647 1360634513 /nfs/dbraw/zinc/63/45/13/1360634513.db2.gz NNTRGZSCUQEHLR-FHWLQOOXSA-N 1 3 331.504 2.626 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001398560345 1360646169 /nfs/dbraw/zinc/64/61/69/1360646169.db2.gz ISLNLKNOVCDUGC-WKILWMFISA-N 1 3 339.430 2.703 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](CC)N(C)C)C2)cc1 ZINC001398561824 1360646902 /nfs/dbraw/zinc/64/69/02/1360646902.db2.gz KSOLWVJWVIXYDN-FHWLQOOXSA-N 1 3 331.504 2.716 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001398563881 1360647859 /nfs/dbraw/zinc/64/78/59/1360647859.db2.gz NNTRGZSCUQEHLR-GUDVDZBRSA-N 1 3 331.504 2.626 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001398944585 1360885975 /nfs/dbraw/zinc/88/59/75/1360885975.db2.gz WCWFEHGGTFBMCW-GOSISDBHSA-N 1 3 345.531 2.896 20 0 EFADHO CCCc1ccc(C[NH2+][C@H](C)CNC(=O)C2(N(C)C)CCC2)cc1 ZINC001398952096 1360891423 /nfs/dbraw/zinc/89/14/23/1360891423.db2.gz PSCODYPOYQUCRJ-MRXNPFEDSA-N 1 3 331.504 2.718 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001437238322 1387489993 /nfs/dbraw/zinc/48/99/93/1387489993.db2.gz BKSLJCBVHDIGSK-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCc1c(C)cccc1Cl ZINC001437238322 1387489996 /nfs/dbraw/zinc/48/99/96/1387489996.db2.gz BKSLJCBVHDIGSK-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO CC[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1ccc(F)cc1 ZINC001399238251 1361091504 /nfs/dbraw/zinc/09/15/04/1361091504.db2.gz FQBFJHHKOQBQNP-RDTXWAMCSA-N 1 3 344.434 2.681 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(CC)c2)C1 ZINC001399246949 1361096850 /nfs/dbraw/zinc/09/68/50/1361096850.db2.gz MYIFHUFPSQEHFP-IBGZPJMESA-N 1 3 331.504 2.529 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001399255787 1361102561 /nfs/dbraw/zinc/10/25/61/1361102561.db2.gz BDAJMNQKGFGXFA-ZWKOTPCHSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c(F)c2)C1 ZINC001399255774 1361102664 /nfs/dbraw/zinc/10/26/64/1361102664.db2.gz BDAJMNQKGFGXFA-MSOLQXFVSA-N 1 3 349.494 2.993 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCc3cccs3)C2)CCC1 ZINC001399265363 1361108639 /nfs/dbraw/zinc/10/86/39/1361108639.db2.gz QJOGKZVHVKOJEM-CVEARBPZSA-N 1 3 349.544 2.792 20 0 EFADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC001437244974 1387495550 /nfs/dbraw/zinc/49/55/50/1387495550.db2.gz IWVNMCABKGDTTF-CYBMUJFWSA-N 1 3 345.409 2.642 20 0 EFADHO C[C@H](CCNC(=O)c1cccc(CN(C)C)c1)[NH2+]CCC(F)(F)F ZINC001399427297 1361217273 /nfs/dbraw/zinc/21/72/73/1361217273.db2.gz BOCBOZXUNDVNRC-CYBMUJFWSA-N 1 3 345.409 2.799 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC1CCCCCC1)N(C)C ZINC001399495569 1361278269 /nfs/dbraw/zinc/27/82/69/1361278269.db2.gz QHRPUOCVMOWANA-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC1CCCCCC1)N(C)C ZINC001399495569 1361278270 /nfs/dbraw/zinc/27/82/70/1361278270.db2.gz QHRPUOCVMOWANA-SFHVURJKSA-N 1 3 325.541 2.981 20 0 EFADHO CN(CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc2ccccc2c1 ZINC001399566124 1361335993 /nfs/dbraw/zinc/33/59/93/1361335993.db2.gz CPWDDQXZHQQGFS-UHFFFAOYSA-N 1 3 339.483 2.730 20 0 EFADHO CC[N@H+](C)CCC(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001399627376 1361384415 /nfs/dbraw/zinc/38/44/15/1361384415.db2.gz CJJQOMWGLPJWAD-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO CC[N@@H+](C)CCC(=O)NCCN(C)[C@H](C)c1ccc(Cl)cc1 ZINC001399627376 1361384418 /nfs/dbraw/zinc/38/44/18/1361384418.db2.gz CJJQOMWGLPJWAD-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)C2CC[NH+](C(C)C)CC2)cc1C ZINC001399618252 1361377901 /nfs/dbraw/zinc/37/79/01/1361377901.db2.gz JWDHKXMXXRUYNA-UHFFFAOYSA-N 1 3 345.531 2.972 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC001399702726 1361439123 /nfs/dbraw/zinc/43/91/23/1361439123.db2.gz CHLPNMSCZHUYLT-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC001399702726 1361439125 /nfs/dbraw/zinc/43/91/25/1361439125.db2.gz CHLPNMSCZHUYLT-HNNXBMFYSA-N 1 3 335.467 2.809 20 0 EFADHO CCc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399847341 1361528105 /nfs/dbraw/zinc/52/81/05/1361528105.db2.gz HHJDHDAWWLGXRI-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO CCc1cccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC001399847341 1361528106 /nfs/dbraw/zinc/52/81/06/1361528106.db2.gz HHJDHDAWWLGXRI-PMACEKPBSA-N 1 3 345.531 2.916 20 0 EFADHO Cc1ccc(CC[N@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001399901524 1361562818 /nfs/dbraw/zinc/56/28/18/1361562818.db2.gz KWNDAMSTAVZXJR-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO Cc1ccc(CC[N@@H+]2CCC[C@H]2CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001399901524 1361562824 /nfs/dbraw/zinc/56/28/24/1361562824.db2.gz KWNDAMSTAVZXJR-PMACEKPBSA-N 1 3 345.531 2.704 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959461 1361613102 /nfs/dbraw/zinc/61/31/02/1361613102.db2.gz XXONHAJCCKXVNZ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959461 1361613107 /nfs/dbraw/zinc/61/31/07/1361613107.db2.gz XXONHAJCCKXVNZ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959471 1361613523 /nfs/dbraw/zinc/61/35/23/1361613523.db2.gz XXONHAJCCKXVNZ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001399959471 1361613525 /nfs/dbraw/zinc/61/35/25/1361613525.db2.gz XXONHAJCCKXVNZ-SJORKVTESA-N 1 3 325.541 2.837 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1)N(C)C ZINC001400038260 1361687943 /nfs/dbraw/zinc/68/79/43/1361687943.db2.gz IEEKFYFELSSSBO-LPHOPBHVSA-N 1 3 331.504 2.914 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1)N(C)C ZINC001400038260 1361687947 /nfs/dbraw/zinc/68/79/47/1361687947.db2.gz IEEKFYFELSSSBO-LPHOPBHVSA-N 1 3 331.504 2.914 20 0 EFADHO Cc1cccc(CN(CCNC(=O)CC[NH+]2CCCCC2)C2CC2)c1 ZINC001400053098 1361701359 /nfs/dbraw/zinc/70/13/59/1361701359.db2.gz INZQZGLLNBODCV-UHFFFAOYSA-N 1 3 343.515 2.952 20 0 EFADHO Cc1ccccc1CN(CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001400062070 1361706980 /nfs/dbraw/zinc/70/69/80/1361706980.db2.gz YFERVOQPDYJNEP-UHFFFAOYSA-N 1 3 343.515 2.952 20 0 EFADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001400062345 1361707054 /nfs/dbraw/zinc/70/70/54/1361707054.db2.gz BYIDJFXZIBQFAO-IBGZPJMESA-N 1 3 347.478 2.593 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)N(C)C ZINC001400187223 1361828848 /nfs/dbraw/zinc/82/88/48/1361828848.db2.gz UILPGTCYAJOCGZ-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1)N(C)C ZINC001400187223 1361828852 /nfs/dbraw/zinc/82/88/52/1361828852.db2.gz UILPGTCYAJOCGZ-SJORKVTESA-N 1 3 325.541 2.981 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001400185511 1361826144 /nfs/dbraw/zinc/82/61/44/1361826144.db2.gz QJDOHWIHPPBFSQ-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)N(C)C)C1 ZINC001400185511 1361826147 /nfs/dbraw/zinc/82/61/47/1361826147.db2.gz QJDOHWIHPPBFSQ-PXNSSMCTSA-N 1 3 345.531 2.917 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001400186416 1361827210 /nfs/dbraw/zinc/82/72/10/1361827210.db2.gz TUHLYKLTOIZANY-ADKAHSJRSA-N 1 3 337.552 2.839 20 0 EFADHO CC1CC(C[N@H+]2CC[C@H](CCNC(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001400186416 1361827214 /nfs/dbraw/zinc/82/72/14/1361827214.db2.gz TUHLYKLTOIZANY-ADKAHSJRSA-N 1 3 337.552 2.839 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001400186737 1361828575 /nfs/dbraw/zinc/82/85/75/1361828575.db2.gz UCPPCTAXDOWPSX-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)N(C)C ZINC001400186737 1361828578 /nfs/dbraw/zinc/82/85/78/1361828578.db2.gz UCPPCTAXDOWPSX-IEBWSBKVSA-N 1 3 349.494 2.740 20 0 EFADHO C[NH+](C)Cc1ccc(C(=O)NCC[C@@H]2CCN(C/C=C\Cl)C2)cc1 ZINC001400194847 1361834873 /nfs/dbraw/zinc/83/48/73/1361834873.db2.gz ZLSWHGHEGSPGSQ-TYIWRNDTSA-N 1 3 349.906 2.943 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCc2ccccc2)C1)N(C)C ZINC001400226677 1361860391 /nfs/dbraw/zinc/86/03/91/1361860391.db2.gz ICAFNCGLVSMWOU-VQTJNVASSA-N 1 3 345.531 2.596 20 0 EFADHO CC(C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CCc2ccccc2)C1)N(C)C ZINC001400226677 1361860396 /nfs/dbraw/zinc/86/03/96/1361860396.db2.gz ICAFNCGLVSMWOU-VQTJNVASSA-N 1 3 345.531 2.596 20 0 EFADHO CN(C/C=C\Cl)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001400237000 1361871966 /nfs/dbraw/zinc/87/19/66/1361871966.db2.gz CFEQVVACWZHGTP-BAQGIRSFSA-N 1 3 341.927 2.641 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400701158 1362105717 /nfs/dbraw/zinc/10/57/17/1362105717.db2.gz AHDDUTLPLQFTLN-FUHWJXTLSA-N 1 3 329.488 2.622 20 0 EFADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001400808108 1362176929 /nfs/dbraw/zinc/17/69/29/1362176929.db2.gz CWKYUMUAWHRHGZ-YOEHRIQHSA-N 1 3 335.467 2.855 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001400814695 1362180523 /nfs/dbraw/zinc/18/05/23/1362180523.db2.gz QPOLTVRMIOPCPB-RDTXWAMCSA-N 1 3 347.478 2.782 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCc1cc2ccccc2o1 ZINC001400850997 1362209866 /nfs/dbraw/zinc/20/98/66/1362209866.db2.gz KXYJJNTVOYRUCJ-KRWDZBQOSA-N 1 3 343.471 2.759 20 0 EFADHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC=C(Cl)Cl ZINC001400856608 1362215201 /nfs/dbraw/zinc/21/52/01/1362215201.db2.gz UIKAVSABVMWWCN-ZDUSSCGKSA-N 1 3 336.307 2.522 20 0 EFADHO CC[C@@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@@H](CC)c1ccccc1 ZINC001400909785 1362248756 /nfs/dbraw/zinc/24/87/56/1362248756.db2.gz VEOVISMTLSEDJU-IRXDYDNUSA-N 1 3 328.460 2.896 20 0 EFADHO CC[C@H](CNC(=O)Cc1nc[nH]c1C)[NH2+][C@H](CC)c1ccccc1 ZINC001400909782 1362248777 /nfs/dbraw/zinc/24/87/77/1362248777.db2.gz VEOVISMTLSEDJU-IAGOWNOFSA-N 1 3 328.460 2.896 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC001400934556 1362274884 /nfs/dbraw/zinc/27/48/84/1362274884.db2.gz PDJCPLSZYJWCKX-WFASDCNBSA-N 1 3 345.940 2.972 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)CN(C)C2CCC2)C2CC2)cc1 ZINC001400994668 1362337586 /nfs/dbraw/zinc/33/75/86/1362337586.db2.gz CUHQECSKDDNRKH-OAQYLSRUSA-N 1 3 343.515 2.854 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001401051816 1362397202 /nfs/dbraw/zinc/39/72/02/1362397202.db2.gz ZFQXUTKESURWPL-FHWLQOOXSA-N 1 3 331.504 2.790 20 0 EFADHO CN1CCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2F)CC1 ZINC001401071500 1362411120 /nfs/dbraw/zinc/41/11/20/1362411120.db2.gz AWGAWTAUPSJOBP-IBGZPJMESA-N 1 3 347.478 2.638 20 0 EFADHO O=C(NCCC1CCN(CCF)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001401073706 1362414514 /nfs/dbraw/zinc/41/45/14/1362414514.db2.gz DKRCXBJPXJTENM-GOSISDBHSA-N 1 3 339.499 2.581 20 0 EFADHO O=C(NCCC1CCN(CCF)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001401073706 1362414515 /nfs/dbraw/zinc/41/45/15/1362414515.db2.gz DKRCXBJPXJTENM-GOSISDBHSA-N 1 3 339.499 2.581 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401074726 1362416746 /nfs/dbraw/zinc/41/67/46/1362416746.db2.gz MCLPQXLLSMSQNK-INDRUJQFSA-N 1 3 341.927 2.830 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001401074726 1362416749 /nfs/dbraw/zinc/41/67/49/1362416749.db2.gz MCLPQXLLSMSQNK-INDRUJQFSA-N 1 3 341.927 2.830 20 0 EFADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1Cl)N(C)C ZINC001401140714 1362476279 /nfs/dbraw/zinc/47/62/79/1362476279.db2.gz VMRRXSOGHVOZEA-XJKSGUPXSA-N 1 3 325.884 2.522 20 0 EFADHO Cc1cccc(C[NH2+]C2(CNC(=O)C3(N(C)C)CCC3)CCCC2)c1 ZINC001401183134 1362518777 /nfs/dbraw/zinc/51/87/77/1362518777.db2.gz VUMWCKWPFDYVIL-UHFFFAOYSA-N 1 3 343.515 2.998 20 0 EFADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC=C(Cl)Cl)CCCC2)C1 ZINC001401184970 1362521989 /nfs/dbraw/zinc/52/19/89/1362521989.db2.gz FDAFEEPXPRCCCL-CYBMUJFWSA-N 1 3 348.318 2.666 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CCc2ccccc2)CCCC1)N(C)C ZINC001401185342 1362522724 /nfs/dbraw/zinc/52/27/24/1362522724.db2.gz UPDYHDZGBWXRCD-GOSISDBHSA-N 1 3 331.504 2.588 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001401191365 1362530969 /nfs/dbraw/zinc/53/09/69/1362530969.db2.gz RGHDEZFGPMKFAZ-ZBFHGGJFSA-N 1 3 345.478 2.637 20 0 EFADHO Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C ZINC001401265994 1362606682 /nfs/dbraw/zinc/60/66/82/1362606682.db2.gz YUAYKPMOAMYOKU-MJGOQNOKSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001401370173 1362720887 /nfs/dbraw/zinc/72/08/87/1362720887.db2.gz RHGROZTYYXLMNX-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(C)c(C[N@H+](C)CCN(C)C(=O)CN(C)C2CCC2)c1 ZINC001401370173 1362720889 /nfs/dbraw/zinc/72/08/89/1362720889.db2.gz RHGROZTYYXLMNX-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CCN(C)[C@@H]1CCc2c1cccc2F)[NH+](C)C ZINC001401369864 1362720956 /nfs/dbraw/zinc/72/09/56/1362720956.db2.gz ZCAWLIBOQAGDJV-MOPGFXCFSA-N 1 3 349.494 2.789 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(C)C)N(C)C ZINC001401382499 1362735760 /nfs/dbraw/zinc/73/57/60/1362735760.db2.gz PYDYUUOUWTUZHJ-SJORKVTESA-N 1 3 339.911 2.911 20 0 EFADHO CCN(CCN[C@@H](C)c1ccccc1F)C(=O)C12CCC[NH+]1CCC2 ZINC001401592960 1362956332 /nfs/dbraw/zinc/95/63/32/1362956332.db2.gz GIXVSAOLDGEBRR-INIZCTEOSA-N 1 3 347.478 2.953 20 0 EFADHO C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)C1(N(C)C)CCC1 ZINC001401625050 1362980419 /nfs/dbraw/zinc/98/04/19/1362980419.db2.gz JAAOPNDAZBNHKR-CVEARBPZSA-N 1 3 343.515 2.815 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001401654204 1363002653 /nfs/dbraw/zinc/00/26/53/1363002653.db2.gz SIXRTSWXWBNZHO-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCc1c(C)cccc1Cl ZINC001401654204 1363002657 /nfs/dbraw/zinc/00/26/57/1363002657.db2.gz SIXRTSWXWBNZHO-CQSZACIVSA-N 1 3 325.884 2.585 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001401684623 1363024819 /nfs/dbraw/zinc/02/48/19/1363024819.db2.gz FKZXQIFOVXKSGD-INIZCTEOSA-N 1 3 331.504 2.889 20 0 EFADHO Cc1ccc(CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001401798883 1363145339 /nfs/dbraw/zinc/14/53/39/1363145339.db2.gz OXGXGRFEPQAMOX-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001401798883 1363145343 /nfs/dbraw/zinc/14/53/43/1363145343.db2.gz OXGXGRFEPQAMOX-IEBWSBKVSA-N 1 3 333.520 2.560 20 0 EFADHO Cc1ccc(F)cc1CN(C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001401814927 1363164856 /nfs/dbraw/zinc/16/48/56/1363164856.db2.gz CDWFTASYEPGXJV-KRWDZBQOSA-N 1 3 349.494 2.947 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]CC(C)C ZINC001401881010 1363211265 /nfs/dbraw/zinc/21/12/65/1363211265.db2.gz SAIRHQIUBBKASQ-DLBZAZTESA-N 1 3 325.541 2.837 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]C/C=C\c2ccc(Cl)cc2)CC1)N(C)C ZINC001401959238 1363276956 /nfs/dbraw/zinc/27/69/56/1363276956.db2.gz WJCBWDDIGJTKDI-KEGWNNHHSA-N 1 3 349.906 2.932 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001402004449 1363323275 /nfs/dbraw/zinc/32/32/75/1363323275.db2.gz OKOSYPUVDSFIRE-UWLCPZNKSA-N 1 3 339.911 2.536 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C/C=C\Cl)CC2CC2)CC1 ZINC001402004449 1363323276 /nfs/dbraw/zinc/32/32/76/1363323276.db2.gz OKOSYPUVDSFIRE-UWLCPZNKSA-N 1 3 339.911 2.536 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ncccc1C ZINC001402033803 1363345440 /nfs/dbraw/zinc/34/54/40/1363345440.db2.gz FIHQGONCIHMHOP-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO C[C@H]([NH2+]CCC(F)(F)F)[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001402038601 1363349284 /nfs/dbraw/zinc/34/92/84/1363349284.db2.gz VCCTZZFHGBDNRG-DZGCQCFKSA-N 1 3 349.441 2.782 20 0 EFADHO Cc1ccc(F)cc1CN1CCC(N(C)C(=O)CCC[NH+](C)C)CC1 ZINC001402040617 1363350780 /nfs/dbraw/zinc/35/07/80/1363350780.db2.gz KWWDNCXGECJFRV-UHFFFAOYSA-N 1 3 349.494 2.899 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2csc(C)c2)CC1 ZINC001402061891 1363369010 /nfs/dbraw/zinc/36/90/10/1363369010.db2.gz DTFFVVZQRQMXOL-UHFFFAOYSA-N 1 3 337.533 2.821 20 0 EFADHO CCCN(C)CC(=O)N(C)C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC001402070671 1363376244 /nfs/dbraw/zinc/37/62/44/1363376244.db2.gz NNCKXMAYCXTVNE-UHFFFAOYSA-N 1 3 349.494 2.921 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001402087591 1363391043 /nfs/dbraw/zinc/39/10/43/1363391043.db2.gz GRQOPGDIGJXLLP-KRWDZBQOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001402088071 1363392353 /nfs/dbraw/zinc/39/23/53/1363392353.db2.gz IECZLVWKWAZWGW-UHFFFAOYSA-N 1 3 349.494 2.947 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001402160291 1363467999 /nfs/dbraw/zinc/46/79/99/1363467999.db2.gz QSYGDRRWBLURMM-AZUAARDMSA-N 1 3 331.504 2.601 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001402169302 1363476854 /nfs/dbraw/zinc/47/68/54/1363476854.db2.gz GTHCVJAQAWKEQV-NRFANRHFSA-N 1 3 345.531 2.973 20 0 EFADHO Cc1ccc(C[NH2+][C@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1C ZINC001402314942 1363601234 /nfs/dbraw/zinc/60/12/34/1363601234.db2.gz OYESXKKCSKRZNT-LJQANCHMSA-N 1 3 343.515 2.772 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]([NH2+]Cc2ccccc2Cl)C2CC2)CCC1 ZINC001402320700 1363604480 /nfs/dbraw/zinc/60/44/80/1363604480.db2.gz WTDUKJIQHXQELK-KRWDZBQOSA-N 1 3 349.906 2.809 20 0 EFADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001402367030 1363627150 /nfs/dbraw/zinc/62/71/50/1363627150.db2.gz CAHHRXAYVVJNHZ-UXHICEINSA-N 1 3 343.515 2.890 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C/C=C/Cl)CCC1 ZINC001402421500 1363680632 /nfs/dbraw/zinc/68/06/32/1363680632.db2.gz FHLADRUAFDHZKI-PNEROLJOSA-N 1 3 339.911 2.582 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C/C=C/Cl)CCC1 ZINC001402421500 1363680635 /nfs/dbraw/zinc/68/06/35/1363680635.db2.gz FHLADRUAFDHZKI-PNEROLJOSA-N 1 3 339.911 2.582 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001402422209 1363681708 /nfs/dbraw/zinc/68/17/08/1363681708.db2.gz KHCLJNJHLRYPKW-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)c(C)c3)C[C@@H]2C1 ZINC001402422209 1363681711 /nfs/dbraw/zinc/68/17/11/1363681711.db2.gz KHCLJNJHLRYPKW-BGYRXZFFSA-N 1 3 343.515 2.535 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1 ZINC001402437043 1363692612 /nfs/dbraw/zinc/69/26/12/1363692612.db2.gz JBRXIHYBCDOEOD-JWEVPPJISA-N 1 3 344.503 2.666 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1 ZINC001402437043 1363692616 /nfs/dbraw/zinc/69/26/16/1363692616.db2.gz JBRXIHYBCDOEOD-JWEVPPJISA-N 1 3 344.503 2.666 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCc3ccccc32)C1)N(C)C ZINC001402509883 1363750796 /nfs/dbraw/zinc/75/07/96/1363750796.db2.gz CRZJBBGCWSEZEW-MLYOOKFZSA-N 1 3 343.515 2.684 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN(C)CC(C)(C)C)C2)cc1F ZINC001402518453 1363755257 /nfs/dbraw/zinc/75/52/57/1363755257.db2.gz PEJMMSUEGJOTJX-QAQDUYKDSA-N 1 3 349.494 2.849 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1)N(C)C ZINC001402525791 1363759527 /nfs/dbraw/zinc/75/95/27/1363759527.db2.gz ZWVKJMVAMNIKBN-JYJNAYRXSA-N 1 3 339.430 2.701 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]Cc3cccc(Cl)c3)CCC2)CCC1 ZINC001402556217 1363785264 /nfs/dbraw/zinc/78/52/64/1363785264.db2.gz BYYONEFBACNBIA-UHFFFAOYSA-N 1 3 349.906 2.953 20 0 EFADHO Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)N(C)C)CCC2)cc1 ZINC001402567942 1363795585 /nfs/dbraw/zinc/79/55/85/1363795585.db2.gz BWDQYDGOUMOFRL-GOSISDBHSA-N 1 3 331.504 2.710 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2cc(C)sc2C)CCC1)N(C)C ZINC001402588443 1363816210 /nfs/dbraw/zinc/81/62/10/1363816210.db2.gz OBWZYAATLFIREB-MRXNPFEDSA-N 1 3 337.533 2.834 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)CC1 ZINC001402601064 1363825276 /nfs/dbraw/zinc/82/52/76/1363825276.db2.gz ANMIODKRDIEALI-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)CC1 ZINC001402601064 1363825280 /nfs/dbraw/zinc/82/52/80/1363825280.db2.gz ANMIODKRDIEALI-LJQANCHMSA-N 1 3 331.504 2.542 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1csc(C)c1)N(C)C ZINC001402642763 1363874161 /nfs/dbraw/zinc/87/41/61/1363874161.db2.gz LBPCHOITZQKOQV-MRXNPFEDSA-N 1 3 325.522 2.677 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1csc(C)c1)N(C)C ZINC001402642763 1363874164 /nfs/dbraw/zinc/87/41/64/1363874164.db2.gz LBPCHOITZQKOQV-MRXNPFEDSA-N 1 3 325.522 2.677 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1csc(C)c1)N(C)C ZINC001402655881 1363895142 /nfs/dbraw/zinc/89/51/42/1363895142.db2.gz LBPCHOITZQKOQV-INIZCTEOSA-N 1 3 325.522 2.677 20 0 EFADHO CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1csc(C)c1)N(C)C ZINC001402655881 1363895146 /nfs/dbraw/zinc/89/51/46/1363895146.db2.gz LBPCHOITZQKOQV-INIZCTEOSA-N 1 3 325.522 2.677 20 0 EFADHO CN(CCCN(C)C(=O)CC[NH+]1CCCCC1)CCC(F)(F)F ZINC001402683869 1363933131 /nfs/dbraw/zinc/93/31/31/1363933131.db2.gz SQUDZNAGCMGTLB-UHFFFAOYSA-N 1 3 337.430 2.595 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H]1Cc2ccccc2CN1CC1CC1)[NH+](C)C ZINC001402719433 1363964806 /nfs/dbraw/zinc/96/48/06/1363964806.db2.gz IYOWNTPMDYENNC-VQTJNVASSA-N 1 3 343.515 2.526 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001402744550 1363989408 /nfs/dbraw/zinc/98/94/08/1363989408.db2.gz VZNXCQUXYCYKSM-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(CF)cc1 ZINC001402744550 1363989410 /nfs/dbraw/zinc/98/94/10/1363989410.db2.gz VZNXCQUXYCYKSM-IBGZPJMESA-N 1 3 349.494 2.969 20 0 EFADHO CN(CC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2)C1CCC1 ZINC001402751157 1363997921 /nfs/dbraw/zinc/99/79/21/1363997921.db2.gz DLXOVVGYULZRAP-UHFFFAOYSA-N 1 3 341.499 2.903 20 0 EFADHO CN(CC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2)C1CCC1 ZINC001402751157 1363997925 /nfs/dbraw/zinc/99/79/25/1363997925.db2.gz DLXOVVGYULZRAP-UHFFFAOYSA-N 1 3 341.499 2.903 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN([C@@H](C)c3ccccc3F)C[C@H]21)[NH+](C)C ZINC001402801825 1364050594 /nfs/dbraw/zinc/05/05/94/1364050594.db2.gz VZWYABSSGWBDHT-GJSASXELSA-N 1 3 347.478 2.519 20 0 EFADHO CCCN1CCc2ccccc2[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001402867719 1364101297 /nfs/dbraw/zinc/10/12/97/1364101297.db2.gz GNUUKNPEWYZXSL-HXUWFJFHSA-N 1 3 343.515 2.988 20 0 EFADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001402914326 1364129481 /nfs/dbraw/zinc/12/94/81/1364129481.db2.gz XAOXODMEETXBCC-LIRRHRJNSA-N 1 3 347.478 2.782 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001437460140 1387663853 /nfs/dbraw/zinc/66/38/53/1387663853.db2.gz ACWYQBCPOQKPHT-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001437460140 1387663856 /nfs/dbraw/zinc/66/38/56/1387663856.db2.gz ACWYQBCPOQKPHT-LJQANCHMSA-N 1 3 331.504 2.724 20 0 EFADHO Cc1ccccc1C[NH2+]CC(C)(C)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001403078931 1364283230 /nfs/dbraw/zinc/28/32/30/1364283230.db2.gz KGJLOPWZMOAJDI-KRWDZBQOSA-N 1 3 345.531 2.911 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001403133197 1364347982 /nfs/dbraw/zinc/34/79/82/1364347982.db2.gz KQZKGNBKMBMGNT-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001403133197 1364347986 /nfs/dbraw/zinc/34/79/86/1364347986.db2.gz KQZKGNBKMBMGNT-CQSZACIVSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@H+](C)Cc1ccc(Cl)cc1 ZINC001403133191 1364348402 /nfs/dbraw/zinc/34/84/02/1364348402.db2.gz KQZKGNBKMBMGNT-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001403133191 1364348409 /nfs/dbraw/zinc/34/84/09/1364348409.db2.gz KQZKGNBKMBMGNT-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO CN(C)C1(C(=O)NCC[N@H+](C)CC/C=C\c2ccccc2)CCC1 ZINC001437473984 1387675352 /nfs/dbraw/zinc/67/53/52/1387675352.db2.gz ZKTHKQFEIKYBDL-GHXNOFRVSA-N 1 3 329.488 2.622 20 0 EFADHO CN(C)C1(C(=O)NCC[N@@H+](C)CC/C=C\c2ccccc2)CCC1 ZINC001437473984 1387675358 /nfs/dbraw/zinc/67/53/58/1387675358.db2.gz ZKTHKQFEIKYBDL-GHXNOFRVSA-N 1 3 329.488 2.622 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001437472383 1387675592 /nfs/dbraw/zinc/67/55/92/1387675592.db2.gz NYEFUPGGPVEFKF-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1ccccc1CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001437472383 1387675596 /nfs/dbraw/zinc/67/55/96/1387675596.db2.gz NYEFUPGGPVEFKF-FQEVSTJZSA-N 1 3 343.515 2.950 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1)[NH+](C)C ZINC001403166365 1364387031 /nfs/dbraw/zinc/38/70/31/1364387031.db2.gz KEEDHRDPBWXPPD-DNVCBOLYSA-N 1 3 345.487 2.956 20 0 EFADHO C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]Cc1ccc(F)cc1 ZINC001403172079 1364394749 /nfs/dbraw/zinc/39/47/49/1364394749.db2.gz WDFUTMRPVAVOIE-HNNXBMFYSA-N 1 3 343.446 2.795 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1 ZINC001403202106 1364429693 /nfs/dbraw/zinc/42/96/93/1364429693.db2.gz ZGRNIMGBANQWAM-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1cc2ccccc2o1 ZINC001403202106 1364429697 /nfs/dbraw/zinc/42/96/97/1364429697.db2.gz ZGRNIMGBANQWAM-OAHLLOKOSA-N 1 3 331.460 2.711 20 0 EFADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1Cl ZINC001403215704 1364440202 /nfs/dbraw/zinc/44/02/02/1364440202.db2.gz YJNAOTODCDUUQN-CABCVRRESA-N 1 3 337.895 2.933 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCCc3ccccc32)C1 ZINC001403241950 1364455205 /nfs/dbraw/zinc/45/52/05/1364455205.db2.gz LSVILBJSSPQTEC-PXNSSMCTSA-N 1 3 343.515 2.844 20 0 EFADHO CC(C)[C@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]C/C=C/Cl ZINC001403249485 1364461594 /nfs/dbraw/zinc/46/15/94/1364461594.db2.gz AYZZKSSASZSIFG-USYSOWRXSA-N 1 3 329.916 2.686 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](CCN(C)C(=O)Cc2c[nH]cn2)C(C)C)cc1 ZINC001403258946 1364470947 /nfs/dbraw/zinc/47/09/47/1364470947.db2.gz NJFNGXCLRUYDEQ-IBGZPJMESA-N 1 3 342.487 2.924 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1)C1CCC1 ZINC001403303598 1364519247 /nfs/dbraw/zinc/51/92/47/1364519247.db2.gz SAIYKCUDDFKIIL-ISESHHHUSA-N 1 3 348.318 2.807 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C)C1 ZINC001403303816 1364520969 /nfs/dbraw/zinc/52/09/69/1364520969.db2.gz BEWGIDQNFXLKKO-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C)C1 ZINC001403303816 1364520974 /nfs/dbraw/zinc/52/09/74/1364520974.db2.gz BEWGIDQNFXLKKO-LJQANCHMSA-N 1 3 331.504 2.760 20 0 EFADHO Cc1cccc(CN2CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001403341329 1364556114 /nfs/dbraw/zinc/55/61/14/1364556114.db2.gz BHEPAPBGHABQNU-APWZRJJASA-N 1 3 331.504 2.518 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001403360268 1364571023 /nfs/dbraw/zinc/57/10/23/1364571023.db2.gz VZVATSYSIWDEIY-YJBOKZPZSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC001403471685 1364676885 /nfs/dbraw/zinc/67/68/85/1364676885.db2.gz ZCZIBAXTGTXBML-DYVFJYSZSA-N 1 3 341.446 2.535 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001403491563 1364699900 /nfs/dbraw/zinc/69/99/00/1364699900.db2.gz RFYNXFJDYCZRAQ-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CCCN(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001403491563 1364699894 /nfs/dbraw/zinc/69/98/94/1364699894.db2.gz RFYNXFJDYCZRAQ-UHFFFAOYSA-N 1 3 335.467 2.590 20 0 EFADHO CC(C)Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001403507389 1364714793 /nfs/dbraw/zinc/71/47/93/1364714793.db2.gz NERNTUZEEFWUCB-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO CC(C)Cc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CCCN2C)cc1 ZINC001403507389 1364714795 /nfs/dbraw/zinc/71/47/95/1364714795.db2.gz NERNTUZEEFWUCB-IBGZPJMESA-N 1 3 331.504 2.527 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001403536612 1364741582 /nfs/dbraw/zinc/74/15/82/1364741582.db2.gz VJZIJJBZBXLBOL-WOJBJXKFSA-N 1 3 345.531 2.908 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001403558586 1364760154 /nfs/dbraw/zinc/76/01/54/1364760154.db2.gz REKKIOJJWWBHEC-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001403568232 1364770294 /nfs/dbraw/zinc/77/02/94/1364770294.db2.gz BRZXDEZJNODJRG-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001403579792 1364781560 /nfs/dbraw/zinc/78/15/60/1364781560.db2.gz VVWBUIHOCGKICR-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCNC(=O)CN(C)C1CCC1 ZINC001403579792 1364781562 /nfs/dbraw/zinc/78/15/62/1364781562.db2.gz VVWBUIHOCGKICR-SFHVURJKSA-N 1 3 335.467 2.809 20 0 EFADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)N(C)C ZINC001403587637 1364789657 /nfs/dbraw/zinc/78/96/57/1364789657.db2.gz IJDOPDPFQQDRRK-WBVHZDCISA-N 1 3 325.541 2.980 20 0 EFADHO C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)[NH2+]CC1CCCCC1 ZINC001403597129 1364800757 /nfs/dbraw/zinc/80/07/57/1364800757.db2.gz SLYWHEAFAJTJLV-INIZCTEOSA-N 1 3 325.541 2.981 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C[C@H]1C ZINC001403757978 1364906404 /nfs/dbraw/zinc/90/64/04/1364906404.db2.gz RNOCBPJHDRLXKI-MJGOQNOKSA-N 1 3 331.504 2.724 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(CF)cc2)[C@H]1C ZINC001403807971 1364962362 /nfs/dbraw/zinc/96/23/62/1364962362.db2.gz VMGMQACQFYXEFZ-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(Cc2ccc(CF)cc2)[C@H]1C ZINC001403807971 1364962365 /nfs/dbraw/zinc/96/23/65/1364962365.db2.gz VMGMQACQFYXEFZ-LPHOPBHVSA-N 1 3 349.494 2.967 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(C(F)F)c1 ZINC001403940230 1365075697 /nfs/dbraw/zinc/07/56/97/1365075697.db2.gz NMUCWDWCWAKWOW-INIZCTEOSA-N 1 3 339.430 2.514 20 0 EFADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(C(F)F)c1 ZINC001403940230 1365075701 /nfs/dbraw/zinc/07/57/01/1365075701.db2.gz NMUCWDWCWAKWOW-INIZCTEOSA-N 1 3 339.430 2.514 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001404021422 1365177029 /nfs/dbraw/zinc/17/70/29/1365177029.db2.gz KINIDLXWXCZSHS-MHJFOBGBSA-N 1 3 345.531 2.969 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068942 1365227252 /nfs/dbraw/zinc/22/72/52/1365227252.db2.gz AWWZDCSLBPSZMO-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001404068942 1365227257 /nfs/dbraw/zinc/22/72/57/1365227257.db2.gz AWWZDCSLBPSZMO-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO C[C@@H](c1ccccc1F)N1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404071436 1365230847 /nfs/dbraw/zinc/23/08/47/1365230847.db2.gz QVXFKUPOUFVWRW-HOTGVXAUSA-N 1 3 347.478 2.667 20 0 EFADHO CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001404077388 1365238033 /nfs/dbraw/zinc/23/80/33/1365238033.db2.gz WNFJUQUHBIRUJO-ADKAHSJRSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)N3CCCCC3)C2)C1 ZINC001404077388 1365238034 /nfs/dbraw/zinc/23/80/34/1365238034.db2.gz WNFJUQUHBIRUJO-ADKAHSJRSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001404106184 1365265826 /nfs/dbraw/zinc/26/58/26/1365265826.db2.gz WYISRZYRJVJYAF-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO CCc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H](CC)N(C)C)C2)c1 ZINC001404106184 1365265833 /nfs/dbraw/zinc/26/58/33/1365265833.db2.gz WYISRZYRJVJYAF-MOPGFXCFSA-N 1 3 331.504 2.527 20 0 EFADHO Cc1cccc(C)c1CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001437523948 1387729997 /nfs/dbraw/zinc/72/99/97/1387729997.db2.gz TXSJLFNTOQGTCA-UHFFFAOYSA-N 1 3 331.504 2.583 20 0 EFADHO Cc1ccc(CC[N@@H+](C)CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001437525281 1387730129 /nfs/dbraw/zinc/73/01/29/1387730129.db2.gz ZOCOLIHCZBZQMT-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO Cc1ccc(CC[N@H+](C)CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001437525281 1387730134 /nfs/dbraw/zinc/73/01/34/1387730134.db2.gz ZOCOLIHCZBZQMT-FQEVSTJZSA-N 1 3 345.531 2.848 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](Cc1ccc2c(c1)CCC2)C1CC1)N(C)C ZINC001404284294 1365427585 /nfs/dbraw/zinc/42/75/85/1365427585.db2.gz IXDWGMSILQOECF-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1)N(C)C ZINC001404284294 1365427589 /nfs/dbraw/zinc/42/75/89/1365427589.db2.gz IXDWGMSILQOECF-FQEVSTJZSA-N 1 3 343.515 2.596 20 0 EFADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001404308219 1365440153 /nfs/dbraw/zinc/44/01/53/1365440153.db2.gz FWFWGUQQDRFUKK-BLLLJJGKSA-N 1 3 343.874 2.928 20 0 EFADHO CN(CC[NH2+][C@@H]1CCc2c1cccc2Cl)C(=O)CN(C)C1CCC1 ZINC001404321879 1365449475 /nfs/dbraw/zinc/44/94/75/1365449475.db2.gz OTUTXUMNVUZPJY-GOSISDBHSA-N 1 3 349.906 2.860 20 0 EFADHO C[C@H]([NH2+]CCN(C)C(=O)CN1CCC(C)CC1)c1ccc(F)cc1 ZINC001404338478 1365460703 /nfs/dbraw/zinc/46/07/03/1365460703.db2.gz VXVHWJZOHPLEKH-INIZCTEOSA-N 1 3 335.467 2.667 20 0 EFADHO C[C@H]([NH2+]CC=C(Cl)Cl)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001404342274 1365462520 /nfs/dbraw/zinc/46/25/20/1365462520.db2.gz LHRVFMROBVCUCW-GXTWGEPZSA-N 1 3 348.318 2.616 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1cccs1 ZINC001404404092 1365506997 /nfs/dbraw/zinc/50/69/97/1365506997.db2.gz UBOKXXFWWJEDHE-CALCHBBNSA-N 1 3 349.544 2.698 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1cccs1 ZINC001404404092 1365507002 /nfs/dbraw/zinc/50/70/02/1365507002.db2.gz UBOKXXFWWJEDHE-CALCHBBNSA-N 1 3 349.544 2.698 20 0 EFADHO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404657382 1365744896 /nfs/dbraw/zinc/74/48/96/1365744896.db2.gz ASIHSFOFBIOKRR-KURKYZTESA-N 1 3 325.541 2.835 20 0 EFADHO CC(C)C[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001404657382 1365744899 /nfs/dbraw/zinc/74/48/99/1365744899.db2.gz ASIHSFOFBIOKRR-KURKYZTESA-N 1 3 325.541 2.835 20 0 EFADHO Cc1ccc(CN(C)CCNC(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001437570507 1387781846 /nfs/dbraw/zinc/78/18/46/1387781846.db2.gz QEBUTOSHIULKEV-UHFFFAOYSA-N 1 3 331.504 2.727 20 0 EFADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(Cl)c1 ZINC001405367633 1366165010 /nfs/dbraw/zinc/16/50/10/1366165010.db2.gz IOTPGYJPIVINPB-MRXNPFEDSA-N 1 3 337.895 2.809 20 0 EFADHO CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001405475313 1366226969 /nfs/dbraw/zinc/22/69/69/1366226969.db2.gz DTBRSJUJJGWRMN-KRWDZBQOSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001405515694 1366260287 /nfs/dbraw/zinc/26/02/87/1366260287.db2.gz FVASGTLPBFQTPO-UFYCRDLUSA-N 1 3 345.531 2.832 20 0 EFADHO CN(C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(F)cc3)CC2)CCC1 ZINC001405525729 1366270576 /nfs/dbraw/zinc/27/05/76/1366270576.db2.gz YCMKWPZZLQUXJM-IYARVYRRSA-N 1 3 347.478 2.827 20 0 EFADHO CC(C)(C(=O)NCCC1CC[NH+](CC2CC2)CC1)N1CCCCC1 ZINC001405553868 1366289810 /nfs/dbraw/zinc/28/98/10/1366289810.db2.gz HBJLMAMFWHLWFF-UHFFFAOYSA-N 1 3 335.536 2.879 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001405558658 1366294641 /nfs/dbraw/zinc/29/46/41/1366294641.db2.gz JGTMULIKDCOSCS-INDRUJQFSA-N 1 3 341.927 2.832 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCC1CCN(C/C=C\Cl)CC1 ZINC001405558658 1366294643 /nfs/dbraw/zinc/29/46/43/1366294643.db2.gz JGTMULIKDCOSCS-INDRUJQFSA-N 1 3 341.927 2.832 20 0 EFADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2o1)N(C)C ZINC001405659371 1366326287 /nfs/dbraw/zinc/32/62/87/1366326287.db2.gz AACSKDAXGSTYPG-BEFAXECRSA-N 1 3 345.487 2.861 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCN2C(C)C)cc1F ZINC001405681064 1366333591 /nfs/dbraw/zinc/33/35/91/1366333591.db2.gz YIBIJJBZYDRDEE-BEFAXECRSA-N 1 3 349.494 2.849 20 0 EFADHO CCc1ccccc1C[N@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001437596886 1387809210 /nfs/dbraw/zinc/80/92/10/1387809210.db2.gz FYFFTJPVLGDHGQ-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO CCc1ccccc1C[N@@H+](CC)CCNC(=O)C1(N(C)C)CCC1 ZINC001437596886 1387809213 /nfs/dbraw/zinc/80/92/13/1387809213.db2.gz FYFFTJPVLGDHGQ-UHFFFAOYSA-N 1 3 331.504 2.671 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1F ZINC001405833080 1366448889 /nfs/dbraw/zinc/44/88/89/1366448889.db2.gz PHYCMRVTWMUTHG-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO C[C@H](CN[C@@H](C)c1ccccc1F)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001405845074 1366457849 /nfs/dbraw/zinc/45/78/49/1366457849.db2.gz NCJYXLBNZNESNM-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001405891678 1366497677 /nfs/dbraw/zinc/49/76/77/1366497677.db2.gz NOGZRRBNONWGNB-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(Cl)cc1)N(C)C ZINC001437604248 1387817932 /nfs/dbraw/zinc/81/79/32/1387817932.db2.gz ZGICWXJOBWTZOS-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(Cl)cc1)N(C)C ZINC001437604248 1387817937 /nfs/dbraw/zinc/81/79/37/1387817937.db2.gz ZGICWXJOBWTZOS-MRXNPFEDSA-N 1 3 325.884 2.618 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2F)C1 ZINC001406008521 1367085346 /nfs/dbraw/zinc/08/53/46/1367085346.db2.gz VYMLFVUAWSYWSG-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C(C)C ZINC001406066350 1367172402 /nfs/dbraw/zinc/17/24/02/1367172402.db2.gz NBEUROXPAYOVPA-GOSISDBHSA-N 1 3 334.508 2.961 20 0 EFADHO CN(CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001406075931 1367188298 /nfs/dbraw/zinc/18/82/98/1367188298.db2.gz IJPYBXFCNVVTOX-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CN(CC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)C(=O)[C@@H]1CCCN1C ZINC001406075931 1367188303 /nfs/dbraw/zinc/18/83/03/1367188303.db2.gz IJPYBXFCNVVTOX-OALUTQOASA-N 1 3 347.478 2.688 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1cccs1 ZINC001406104761 1367234129 /nfs/dbraw/zinc/23/41/29/1367234129.db2.gz YCQDCQCJTFKHAQ-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CCc1cccs1 ZINC001406104761 1367234133 /nfs/dbraw/zinc/23/41/33/1367234133.db2.gz YCQDCQCJTFKHAQ-KRWDZBQOSA-N 1 3 337.533 2.555 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1cccs1 ZINC001406104766 1367234461 /nfs/dbraw/zinc/23/44/61/1367234461.db2.gz YCQDCQCJTFKHAQ-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CCc1cccs1 ZINC001406104766 1367234468 /nfs/dbraw/zinc/23/44/68/1367234468.db2.gz YCQDCQCJTFKHAQ-QGZVFWFLSA-N 1 3 337.533 2.555 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001406126402 1367275815 /nfs/dbraw/zinc/27/58/15/1367275815.db2.gz QMTOZTAEIBFOCZ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001406126402 1367275822 /nfs/dbraw/zinc/27/58/22/1367275822.db2.gz QMTOZTAEIBFOCZ-QAPCUYQASA-N 1 3 335.467 2.761 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001406174018 1367367712 /nfs/dbraw/zinc/36/77/12/1367367712.db2.gz ZVPABBBPTWLODV-GOEBONIOSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@@H](c1ccc(Cl)cc1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001406174018 1367367714 /nfs/dbraw/zinc/36/77/14/1367367714.db2.gz ZVPABBBPTWLODV-GOEBONIOSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)C1(N(C)C)CCC1 ZINC001406362659 1367524211 /nfs/dbraw/zinc/52/42/11/1367524211.db2.gz YNQFIKTWUAIWDJ-KDOFPFPSSA-N 1 3 347.478 2.782 20 0 EFADHO C[C@H](CN[C@H](C)c1ccccc1F)NC(=O)C12CCC[NH+]1CCC2 ZINC001406368150 1367529582 /nfs/dbraw/zinc/52/95/82/1367529582.db2.gz UPJRJGUYDISBDM-HUUCEWRRSA-N 1 3 333.451 2.609 20 0 EFADHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1ccc(Cl)cc1F)[NH+](C)C ZINC001406421989 1367571365 /nfs/dbraw/zinc/57/13/65/1367571365.db2.gz NEMYMAMDBYIWBQ-MLGOLLRUSA-N 1 3 343.874 2.660 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)N(C)C ZINC001406530247 1367691033 /nfs/dbraw/zinc/69/10/33/1367691033.db2.gz SDVWJBVASFJPOR-YJBOKZPZSA-N 1 3 333.520 2.919 20 0 EFADHO CCc1ccccc1CN(C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406657223 1367877100 /nfs/dbraw/zinc/87/71/00/1367877100.db2.gz ZGRDYHQGQLJVKC-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(Cl)s1)C1CC1)N(C)C ZINC001406784870 1368047482 /nfs/dbraw/zinc/04/74/82/1368047482.db2.gz BZRQSEGHRHSMIR-KBPBESRZSA-N 1 3 343.924 2.726 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001406886094 1368168426 /nfs/dbraw/zinc/16/84/26/1368168426.db2.gz ZEGMKCGJKVEGIE-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN1Cc1cccc2ccccc21 ZINC001406886094 1368168431 /nfs/dbraw/zinc/16/84/31/1368168431.db2.gz ZEGMKCGJKVEGIE-IBGZPJMESA-N 1 3 339.483 2.872 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C(F)F)cc2)CC1)N(C)C ZINC001406938079 1368228862 /nfs/dbraw/zinc/22/88/62/1368228862.db2.gz NLDPZMGSWYELTE-OAHLLOKOSA-N 1 3 339.430 2.703 20 0 EFADHO Cc1cc(Cl)ccc1CNC1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001406962035 1368252400 /nfs/dbraw/zinc/25/24/00/1368252400.db2.gz WXZUGQKFVJUMCY-UHFFFAOYSA-N 1 3 349.906 2.729 20 0 EFADHO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)cc1 ZINC001406998300 1368299482 /nfs/dbraw/zinc/29/94/82/1368299482.db2.gz FEDMTHFRIBDLQJ-UXHICEINSA-N 1 3 343.515 2.902 20 0 EFADHO C[C@@H](NC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1)c1ccccc1F ZINC001407124308 1368455545 /nfs/dbraw/zinc/45/55/45/1368455545.db2.gz UWMGCNGLPJRZFK-HZPDHXFCSA-N 1 3 347.478 2.809 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001492961306 1368806808 /nfs/dbraw/zinc/80/68/08/1368806808.db2.gz JQOMRXJDNJRRMY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001492961306 1368806815 /nfs/dbraw/zinc/80/68/15/1368806815.db2.gz JQOMRXJDNJRRMY-IBGZPJMESA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001492961312 1368807107 /nfs/dbraw/zinc/80/71/07/1368807107.db2.gz JQOMRXJDNJRRMY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(CC)Cc1ccc(C)c(F)c1 ZINC001492961312 1368807113 /nfs/dbraw/zinc/80/71/13/1368807113.db2.gz JQOMRXJDNJRRMY-LJQANCHMSA-N 1 3 349.494 2.947 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(F)cc2C)C1 ZINC001407522124 1368937441 /nfs/dbraw/zinc/93/74/41/1368937441.db2.gz MWBPBJGVUPPNLP-SJLPKXTDSA-N 1 3 349.494 2.803 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001407541717 1368961302 /nfs/dbraw/zinc/96/13/02/1368961302.db2.gz ZTRNJLXVCPJKOL-HKUYNNGSSA-N 1 3 331.504 2.663 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001407660631 1369078945 /nfs/dbraw/zinc/07/89/45/1369078945.db2.gz RKFYJYTUIRFJCD-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001407660631 1369078949 /nfs/dbraw/zinc/07/89/49/1369078949.db2.gz RKFYJYTUIRFJCD-PKOBYXMFSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccc(CC[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)cc1 ZINC001407788456 1369233746 /nfs/dbraw/zinc/23/37/46/1369233746.db2.gz AEYURUKMDYIETL-UHFFFAOYSA-N 1 3 343.515 2.650 20 0 EFADHO C[C@@H](C(=O)NCC1([NH2+]CCC(F)(F)F)CCC1)N1CCCCCC1 ZINC001407796407 1369244605 /nfs/dbraw/zinc/24/46/05/1369244605.db2.gz DLPKGHHPOYSHCR-AWEZNQCLSA-N 1 3 349.441 2.832 20 0 EFADHO Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001407898262 1369365092 /nfs/dbraw/zinc/36/50/92/1369365092.db2.gz GGRQJQXEODTZNW-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO Cc1ccccc1C[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)N(C)C ZINC001407898262 1369365100 /nfs/dbraw/zinc/36/51/00/1369365100.db2.gz GGRQJQXEODTZNW-IBGZPJMESA-N 1 3 333.520 2.862 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001408111147 1369617538 /nfs/dbraw/zinc/61/75/38/1369617538.db2.gz XNRIOAKNCDXHSM-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO Cc1cc(F)ccc1CN1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001408166230 1369668079 /nfs/dbraw/zinc/66/80/79/1369668079.db2.gz ADUIABSOFCKLEN-VQIMIIECSA-N 1 3 349.494 2.945 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001408353976 1369864522 /nfs/dbraw/zinc/86/45/22/1369864522.db2.gz IJGFBKRKWGKYNP-PBBIBXJJSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C/c1ccccc1)N(C)C ZINC001408353976 1369864526 /nfs/dbraw/zinc/86/45/26/1369864526.db2.gz IJGFBKRKWGKYNP-PBBIBXJJSA-N 1 3 343.515 2.963 20 0 EFADHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001414556184 1370436360 /nfs/dbraw/zinc/43/63/60/1370436360.db2.gz KHWHDNBGRPNVPZ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC001414556184 1370436368 /nfs/dbraw/zinc/43/63/68/1370436368.db2.gz KHWHDNBGRPNVPZ-DLBZAZTESA-N 1 3 338.540 2.623 20 0 EFADHO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690798 1370592761 /nfs/dbraw/zinc/59/27/61/1370592761.db2.gz YPFGAGQGSZOKTO-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCN(C2CCCCC2)CC1 ZINC001414690798 1370592765 /nfs/dbraw/zinc/59/27/65/1370592765.db2.gz YPFGAGQGSZOKTO-OALUTQOASA-N 1 3 348.535 2.663 20 0 EFADHO Cc1ccc(C)c(C[N@@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001437807561 1388095052 /nfs/dbraw/zinc/09/50/52/1388095052.db2.gz MVUVCRQLOVRKDE-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1ccc(C)c(C[N@H+](CCNC(=O)CN2CC[C@H](C)C2)C2CC2)c1 ZINC001437807561 1388095060 /nfs/dbraw/zinc/09/50/60/1388095060.db2.gz MVUVCRQLOVRKDE-KRWDZBQOSA-N 1 3 343.515 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCC2)N(C)C ZINC001437844912 1388137498 /nfs/dbraw/zinc/13/74/98/1388137498.db2.gz LIKPNCKCAOUDPW-UZLBHIALSA-N 1 3 345.531 2.871 20 0 EFADHO CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCCc2ccc(F)cc21)N(C)C ZINC001437854118 1388143436 /nfs/dbraw/zinc/14/34/36/1388143436.db2.gz JDIHBFJXKBNQFN-MOPGFXCFSA-N 1 3 349.494 2.837 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H](NCC=C(Cl)Cl)C1 ZINC001417778876 1373246007 /nfs/dbraw/zinc/24/60/07/1373246007.db2.gz WYLSUMYVEDLTGO-OKILXGFUSA-N 1 3 348.318 2.666 20 0 EFADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1)N(C)C ZINC001417797214 1373263957 /nfs/dbraw/zinc/26/39/57/1373263957.db2.gz FMPNVUCDZGLLLV-DJIMGWMZSA-N 1 3 337.895 2.665 20 0 EFADHO CCCN(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1cncc(C)c1 ZINC001417890808 1373377615 /nfs/dbraw/zinc/37/76/15/1373377615.db2.gz ICGRTHZKUOTJDJ-IEBWSBKVSA-N 1 3 346.519 2.591 20 0 EFADHO CC[C@@H](C(=O)N(C)C1CC[NH+](CCCc2ccccc2)CC1)N(C)C ZINC001417902036 1373393282 /nfs/dbraw/zinc/39/32/82/1373393282.db2.gz PMQNBZHHLYQOSP-FQEVSTJZSA-N 1 3 345.531 2.882 20 0 EFADHO CCc1ccccc1CCN1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001417917134 1373413367 /nfs/dbraw/zinc/41/33/67/1373413367.db2.gz LUSGQOSQFWYYRH-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CCc1ccccc1CCN1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001417917134 1373413371 /nfs/dbraw/zinc/41/33/71/1373413371.db2.gz LUSGQOSQFWYYRH-FQEVSTJZSA-N 1 3 345.531 2.714 20 0 EFADHO CC(C)Cc1ccc(CN2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001417943777 1373433730 /nfs/dbraw/zinc/43/37/30/1373433730.db2.gz KZZJSBDXVDNHGZ-FQEVSTJZSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001417947572 1373438236 /nfs/dbraw/zinc/43/82/36/1373438236.db2.gz JSVHPLDKDRJMNN-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCC(C)(C)CC2)C1)N(C)C ZINC001417947572 1373438241 /nfs/dbraw/zinc/43/82/41/1373438241.db2.gz JSVHPLDKDRJMNN-QZTJIDSGSA-N 1 3 337.552 2.980 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@H]1CC12CCN(Cc1ccccc1F)CC2 ZINC001417964845 1373463824 /nfs/dbraw/zinc/46/38/24/1373463824.db2.gz SETIVOGOHWOJNQ-SFHVURJKSA-N 1 3 347.478 2.638 20 0 EFADHO CCc1ccc(C[NH2+][C@@H](CNC(=O)C2(N(C)C)CCC2)C2CC2)cc1 ZINC001417980370 1373481745 /nfs/dbraw/zinc/48/17/45/1373481745.db2.gz BDUFKMNSIGQDJZ-IBGZPJMESA-N 1 3 343.515 2.718 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418059745 1373566003 /nfs/dbraw/zinc/56/60/03/1373566003.db2.gz CMBILUFKOSKAFR-IYARVYRRSA-N 1 3 329.488 2.525 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1)CC(C)(C)C ZINC001418063797 1373570313 /nfs/dbraw/zinc/57/03/13/1373570313.db2.gz JKLNSDGIERINOZ-WKILWMFISA-N 1 3 335.467 2.540 20 0 EFADHO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418126105 1373643273 /nfs/dbraw/zinc/64/32/73/1373643273.db2.gz XWZDYTOFFIOICC-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001418126105 1373643276 /nfs/dbraw/zinc/64/32/76/1373643276.db2.gz XWZDYTOFFIOICC-AZUAARDMSA-N 1 3 345.531 2.909 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001418134593 1373658404 /nfs/dbraw/zinc/65/84/04/1373658404.db2.gz HRCZVILXZDVJAM-OALUTQOASA-N 1 3 349.494 2.825 20 0 EFADHO CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1)N(C)C ZINC001418134593 1373658409 /nfs/dbraw/zinc/65/84/09/1373658409.db2.gz HRCZVILXZDVJAM-OALUTQOASA-N 1 3 349.494 2.825 20 0 EFADHO CC(C)N(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001418160854 1373706520 /nfs/dbraw/zinc/70/65/20/1373706520.db2.gz GQZCLIFICYCKGV-LJQANCHMSA-N 1 3 343.515 2.840 20 0 EFADHO CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccc(C)cc2)CC1)N(C)C ZINC001418189161 1373752633 /nfs/dbraw/zinc/75/26/33/1373752633.db2.gz MDIIZXAMOREQBG-ACBHZAAOSA-N 1 3 331.504 2.852 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001418218847 1373775368 /nfs/dbraw/zinc/77/53/68/1373775368.db2.gz DMNSLFYUIMGTCH-QGZVFWFLSA-N 1 3 331.504 2.854 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)c1 ZINC001418218843 1373775407 /nfs/dbraw/zinc/77/54/07/1373775407.db2.gz DMNSLFYUIMGTCH-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)NCc1cccc(F)c1 ZINC001418261347 1373827309 /nfs/dbraw/zinc/82/73/09/1373827309.db2.gz HMRXWQBBSYZFAO-MRXNPFEDSA-N 1 3 349.494 2.932 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001418278089 1373849724 /nfs/dbraw/zinc/84/97/24/1373849724.db2.gz MLMKAFYJFQYSKL-FQEVSTJZSA-N 1 3 343.515 2.843 20 0 EFADHO CN(CCN1CCCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001418278089 1373849733 /nfs/dbraw/zinc/84/97/33/1373849733.db2.gz MLMKAFYJFQYSKL-FQEVSTJZSA-N 1 3 343.515 2.843 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001418376848 1373955785 /nfs/dbraw/zinc/95/57/85/1373955785.db2.gz ORRGLINVDSAIBP-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](N(C)C/C=C\c2ccccc2)C1 ZINC001418376848 1373955788 /nfs/dbraw/zinc/95/57/88/1373955788.db2.gz ORRGLINVDSAIBP-VUBAQRPUSA-N 1 3 343.515 2.964 20 0 EFADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]Cc1cc2ccccc2o1 ZINC001418401260 1373982041 /nfs/dbraw/zinc/98/20/41/1373982041.db2.gz DGOBBMVPLPNBQZ-OAHLLOKOSA-N 1 3 343.471 2.902 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001418463156 1374053499 /nfs/dbraw/zinc/05/34/99/1374053499.db2.gz NAQIIHCJHMRPOL-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC001418463156 1374053509 /nfs/dbraw/zinc/05/35/09/1374053509.db2.gz NAQIIHCJHMRPOL-MAUKXSAKSA-N 1 3 335.467 2.809 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)[C@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001418465393 1374056133 /nfs/dbraw/zinc/05/61/33/1374056133.db2.gz ORHRFJGGLABTPL-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)[C@H]1CCCc2ccc(F)cc21)C1CCC1 ZINC001418465393 1374056139 /nfs/dbraw/zinc/05/61/39/1374056139.db2.gz ORHRFJGGLABTPL-IBGZPJMESA-N 1 3 347.478 2.735 20 0 EFADHO CN(CC(=O)NCC[N@H+](C)CC[C@@H]1CCc2ccccc21)C1CCC1 ZINC001418466234 1374057152 /nfs/dbraw/zinc/05/71/52/1374057152.db2.gz ZLOJJKYOLDQUEH-SFHVURJKSA-N 1 3 343.515 2.639 20 0 EFADHO CN(CC(=O)NCC[N@@H+](C)CC[C@@H]1CCc2ccccc21)C1CCC1 ZINC001418466234 1374057155 /nfs/dbraw/zinc/05/71/55/1374057155.db2.gz ZLOJJKYOLDQUEH-SFHVURJKSA-N 1 3 343.515 2.639 20 0 EFADHO CCN(CCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1ccc(F)cc1 ZINC001418558155 1374178014 /nfs/dbraw/zinc/17/80/14/1374178014.db2.gz SVWBEMWKXJISET-MRXNPFEDSA-N 1 3 347.478 2.953 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCCc2ccccc21 ZINC001418562500 1374184915 /nfs/dbraw/zinc/18/49/15/1374184915.db2.gz QAGWXJQSVHODNZ-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@H](C)C1)[C@@H]1CCCc2ccccc21 ZINC001418562500 1374184917 /nfs/dbraw/zinc/18/49/17/1374184917.db2.gz QAGWXJQSVHODNZ-FXAWDEMLSA-N 1 3 343.515 2.844 20 0 EFADHO CCc1ccccc1CN1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001418587080 1374229924 /nfs/dbraw/zinc/22/99/24/1374229924.db2.gz HDGWUBXRZBLZFT-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CCC1 ZINC001418632872 1374298261 /nfs/dbraw/zinc/29/82/61/1374298261.db2.gz IAVUFETXMLJSLC-WOVMCDHWSA-N 1 3 349.906 2.809 20 0 EFADHO C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1)c1ccccc1F ZINC001418635477 1374301032 /nfs/dbraw/zinc/30/10/32/1374301032.db2.gz RSUHKHPOPLWDLU-OAGGEKHMSA-N 1 3 347.478 2.855 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001418643756 1374313212 /nfs/dbraw/zinc/31/32/12/1374313212.db2.gz BJJMZLMIQFUFNE-LEUOFYLZSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001418643760 1374313272 /nfs/dbraw/zinc/31/32/72/1374313272.db2.gz BJJMZLMIQFUFNE-SPUZQDLCSA-N 1 3 346.519 2.961 20 0 EFADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001418643430 1374313345 /nfs/dbraw/zinc/31/33/45/1374313345.db2.gz YAIZQYNWHPCODM-GOSISDBHSA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCCN1Cc1ccc(CF)cc1 ZINC001418643430 1374313350 /nfs/dbraw/zinc/31/33/50/1374313350.db2.gz YAIZQYNWHPCODM-GOSISDBHSA-N 1 3 335.467 2.579 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1C[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001418650177 1374321141 /nfs/dbraw/zinc/32/11/41/1374321141.db2.gz UTBIXKMFXJSWHQ-CALCHBBNSA-N 1 3 340.471 2.562 20 0 EFADHO CCc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418655215 1374327396 /nfs/dbraw/zinc/32/73/96/1374327396.db2.gz DLPKGSPCVYAMPW-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001418655215 1374327400 /nfs/dbraw/zinc/32/74/00/1374327400.db2.gz DLPKGSPCVYAMPW-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658585 1374333819 /nfs/dbraw/zinc/33/38/19/1374333819.db2.gz NBXWIVAHGXJXKM-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)c1 ZINC001418658585 1374333824 /nfs/dbraw/zinc/33/38/24/1374333824.db2.gz NBXWIVAHGXJXKM-MSOLQXFVSA-N 1 3 343.515 2.978 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)CCc2ccccc2)CC1)N(C)C ZINC001437998069 1388311750 /nfs/dbraw/zinc/31/17/50/1388311750.db2.gz IPIKNGUXPCWKTN-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCc2ccccc2)CC1)N(C)C ZINC001437998069 1388311756 /nfs/dbraw/zinc/31/17/56/1388311756.db2.gz IPIKNGUXPCWKTN-FQEVSTJZSA-N 1 3 345.531 2.740 20 0 EFADHO Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418660161 1374335727 /nfs/dbraw/zinc/33/57/27/1374335727.db2.gz PIDOFTWSPKRRNQ-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418660161 1374335731 /nfs/dbraw/zinc/33/57/31/1374335731.db2.gz PIDOFTWSPKRRNQ-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001418683346 1374365200 /nfs/dbraw/zinc/36/52/00/1374365200.db2.gz BXLQNFSDZHTEPG-VAMGGRTRSA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)CN(C)C2CCC2)C1)c1cccc(F)c1 ZINC001418687296 1374370171 /nfs/dbraw/zinc/37/01/71/1374370171.db2.gz VQCPAEXZKIICKC-MPGHIAIKSA-N 1 3 347.478 2.855 20 0 EFADHO CCC[N@H+](C)CCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001438000414 1388314120 /nfs/dbraw/zinc/31/41/20/1388314120.db2.gz URIFXHXPLWKNDQ-UITAMQMPSA-N 1 3 329.916 2.641 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N1CCC(CN(C)C/C=C\Cl)CC1 ZINC001438000414 1388314128 /nfs/dbraw/zinc/31/41/28/1388314128.db2.gz URIFXHXPLWKNDQ-UITAMQMPSA-N 1 3 329.916 2.641 20 0 EFADHO O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@H](NCC=C(Cl)Cl)C1 ZINC001418711936 1374400758 /nfs/dbraw/zinc/40/07/58/1374400758.db2.gz WYLSUMYVEDLTGO-HDJSIYSDSA-N 1 3 348.318 2.666 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001418739160 1374442613 /nfs/dbraw/zinc/44/26/13/1374442613.db2.gz LTJWVHLTGZGVMC-RTBURBONSA-N 1 3 349.494 2.850 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(C(C)C)CC[C@@H]1c1ccc(F)cc1 ZINC001418739160 1374442617 /nfs/dbraw/zinc/44/26/17/1374442617.db2.gz LTJWVHLTGZGVMC-RTBURBONSA-N 1 3 349.494 2.850 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)[NH+](C)C ZINC001418773221 1374484511 /nfs/dbraw/zinc/48/45/11/1374484511.db2.gz XUAYHHQVTAMMBZ-QRQLOZEOSA-N 1 3 331.504 2.599 20 0 EFADHO C[C@H]([NH2+]C/C=C/Cl)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001418841512 1374563734 /nfs/dbraw/zinc/56/37/34/1374563734.db2.gz AALCOYZITZXWMI-PPYMECGQSA-N 1 3 343.943 2.934 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NCC[C@H]2CCN(C/C=C\Cl)C2)CC1 ZINC001418907720 1374671482 /nfs/dbraw/zinc/67/14/82/1374671482.db2.gz VLFVDFXSUJJCFW-XOYTVWKISA-N 1 3 341.927 2.688 20 0 EFADHO C[C@H](c1ccccc1)N1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001419033243 1374778797 /nfs/dbraw/zinc/77/87/97/1374778797.db2.gz ZTYIGVWMBBSMFL-MRXNPFEDSA-N 1 3 329.488 2.528 20 0 EFADHO Cc1ccc(CN2CC[C@H](N(C)C(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001419101297 1374844835 /nfs/dbraw/zinc/84/48/35/1374844835.db2.gz CPINIJRIZJJUHM-IBGZPJMESA-N 1 3 343.515 2.678 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001419180032 1374927696 /nfs/dbraw/zinc/92/76/96/1374927696.db2.gz NTHJSLYISPGFJV-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001419180032 1374927699 /nfs/dbraw/zinc/92/76/99/1374927699.db2.gz NTHJSLYISPGFJV-KRWDZBQOSA-N 1 3 337.533 2.787 20 0 EFADHO C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001419188518 1374934094 /nfs/dbraw/zinc/93/40/94/1374934094.db2.gz DNXDEXFWXXAXMG-PKOBYXMFSA-N 1 3 329.488 2.814 20 0 EFADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC001419254236 1375001213 /nfs/dbraw/zinc/00/12/13/1375001213.db2.gz DCVKNZNFLCAYIJ-HKUYNNGSSA-N 1 3 342.487 2.559 20 0 EFADHO CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)NCc1ccccc1F ZINC001419269942 1375016253 /nfs/dbraw/zinc/01/62/53/1375016253.db2.gz RKIVSUVOIQAIHD-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO CC1CC(CN2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+]2CCCCC2)C1 ZINC001419339750 1375129888 /nfs/dbraw/zinc/12/98/88/1375129888.db2.gz RLXLJVIKWHCKOL-KHSMEXAKSA-N 1 3 347.547 2.974 20 0 EFADHO CCc1ccccc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001419404593 1375230287 /nfs/dbraw/zinc/23/02/87/1375230287.db2.gz DPHLAHRPASZMJE-UFYCRDLUSA-N 1 3 345.531 2.615 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CCC2CC2)CC1 ZINC001419413508 1375239955 /nfs/dbraw/zinc/23/99/55/1375239955.db2.gz DYTWIIKJBHNVTN-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN1C)c1ccc(F)cc1 ZINC001419425939 1375257223 /nfs/dbraw/zinc/25/72/23/1375257223.db2.gz REWWIZNQWPGEGD-CEXWTWQISA-N 1 3 347.478 2.952 20 0 EFADHO CN(C)C1(C(=O)NCC2C[NH+](CC3CCC(C)(C)CC3)C2)CCC1 ZINC001438127721 1388368577 /nfs/dbraw/zinc/36/85/77/1388368577.db2.gz IXBPPXWZLHWKGG-UHFFFAOYSA-N 1 3 335.536 2.735 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C ZINC001419462779 1375305490 /nfs/dbraw/zinc/30/54/90/1375305490.db2.gz NENUUODCWMZPJX-VQIMIIECSA-N 1 3 331.504 2.711 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001419462768 1375306424 /nfs/dbraw/zinc/30/64/24/1375306424.db2.gz NENUUODCWMZPJX-LPHOPBHVSA-N 1 3 331.504 2.711 20 0 EFADHO CCc1cccc(C[NH2+]C[C@@H](C)CNC(=O)C2(N(C)C)CCC2)c1 ZINC001419470181 1375312762 /nfs/dbraw/zinc/31/27/62/1375312762.db2.gz NNDMEFXBVLLPHB-MRXNPFEDSA-N 1 3 331.504 2.575 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCC3)C2)CCC1 ZINC001419539504 1375415609 /nfs/dbraw/zinc/41/56/09/1375415609.db2.gz AWNSJAATRGWADU-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CN(C)C1(C(=O)NC[C@@H]2CCC[N@@H+](CCC3CCCC3)C2)CCC1 ZINC001419539504 1375415615 /nfs/dbraw/zinc/41/56/15/1375415615.db2.gz AWNSJAATRGWADU-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2cc(F)ccc2C)CCCC1)N(C)C ZINC001419613963 1375542998 /nfs/dbraw/zinc/54/29/98/1375542998.db2.gz CTTVMYHNCNWMLO-SFHVURJKSA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001419626076 1375573644 /nfs/dbraw/zinc/57/36/44/1375573644.db2.gz JEXARHLKQPPTRQ-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001419626076 1375573650 /nfs/dbraw/zinc/57/36/50/1375573650.db2.gz JEXARHLKQPPTRQ-FUHWJXTLSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC001419626083 1375575161 /nfs/dbraw/zinc/57/51/61/1375575161.db2.gz JEXARHLKQPPTRQ-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001419626083 1375575174 /nfs/dbraw/zinc/57/51/74/1375575174.db2.gz JEXARHLKQPPTRQ-WMZOPIPTSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)N(C)C(=O)C1(N(C)C)CCC1 ZINC001419667148 1375671168 /nfs/dbraw/zinc/67/11/68/1375671168.db2.gz NOTWYIAXJWFLDO-INIZCTEOSA-N 1 3 343.515 2.596 20 0 EFADHO CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC001419668166 1375672549 /nfs/dbraw/zinc/67/25/49/1375672549.db2.gz UCGNUHHNBPSNPW-INIZCTEOSA-N 1 3 331.504 2.670 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1)N(C)C ZINC001419679187 1375698433 /nfs/dbraw/zinc/69/84/33/1375698433.db2.gz FKSHGHCBOFSPJZ-CTWPCTMYSA-N 1 3 349.494 2.929 20 0 EFADHO CC(C)[C@H](C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)N(C)C ZINC001419687424 1375716321 /nfs/dbraw/zinc/71/63/21/1375716321.db2.gz ZFQXUTKESURWPL-CTWPCTMYSA-N 1 3 331.504 2.790 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CN2CCC(C)CC2)cc1 ZINC001419743447 1375801313 /nfs/dbraw/zinc/80/13/13/1375801313.db2.gz NWKDZYBLNDVJSX-GOSISDBHSA-N 1 3 331.504 2.663 20 0 EFADHO C[C@@H](C[NH2+][C@@H](C)c1ccccc1)N(C)C(=O)CN1CCC(C)CC1 ZINC001419750083 1375812215 /nfs/dbraw/zinc/81/22/15/1375812215.db2.gz ZOGOJQSUINENRJ-ROUUACIJSA-N 1 3 331.504 2.916 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001419775923 1375857744 /nfs/dbraw/zinc/85/77/44/1375857744.db2.gz MEUZATDVAYNKBQ-SJLPKXTDSA-N 1 3 343.515 2.685 20 0 EFADHO CC(C)[N@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001419840517 1375970466 /nfs/dbraw/zinc/97/04/66/1375970466.db2.gz PCXXCUZBOYAWJJ-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[N@@H+](C)CCC1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001419840517 1375970469 /nfs/dbraw/zinc/97/04/69/1375970469.db2.gz PCXXCUZBOYAWJJ-UHFFFAOYSA-N 1 3 325.541 2.933 20 0 EFADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1)N(C)C ZINC001419843779 1375979243 /nfs/dbraw/zinc/97/92/43/1375979243.db2.gz UBYNVDIBDLAVPG-XJKSGUPXSA-N 1 3 341.446 2.805 20 0 EFADHO Cc1ccc(CC[NH2+][C@H](C)CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001419856175 1376010552 /nfs/dbraw/zinc/01/05/52/1376010552.db2.gz WCQHOADLFDRPTN-QGZVFWFLSA-N 1 3 333.520 2.610 20 0 EFADHO CC(C)[C@@H](CNC(=O)c1cccc(CN(C)C)c1)[NH2+]CC1CCC1 ZINC001419930429 1376145781 /nfs/dbraw/zinc/14/57/81/1376145781.db2.gz DEYBKMMBWTWUEA-LJQANCHMSA-N 1 3 331.504 2.892 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]([NH2+][C@H](C)c1ccccc1)C(C)C ZINC001419930452 1376146166 /nfs/dbraw/zinc/14/61/66/1376146166.db2.gz WOCFCSDAVRFNIO-RDTXWAMCSA-N 1 3 328.460 2.752 20 0 EFADHO CCCc1ccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001419954098 1376183428 /nfs/dbraw/zinc/18/34/28/1376183428.db2.gz QGXYQWRGKBQLEU-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CCCc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001419954098 1376183431 /nfs/dbraw/zinc/18/34/31/1376183431.db2.gz QGXYQWRGKBQLEU-IBGZPJMESA-N 1 3 331.504 2.624 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001438244875 1388443728 /nfs/dbraw/zinc/44/37/28/1388443728.db2.gz ZPFLTAWWLPYRIO-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001438244875 1388443732 /nfs/dbraw/zinc/44/37/32/1388443732.db2.gz ZPFLTAWWLPYRIO-QGZVFWFLSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001438244873 1388444202 /nfs/dbraw/zinc/44/42/02/1388444202.db2.gz ZPFLTAWWLPYRIO-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2cc(C)sc2C)C1 ZINC001438244873 1388444207 /nfs/dbraw/zinc/44/42/07/1388444207.db2.gz ZPFLTAWWLPYRIO-KRWDZBQOSA-N 1 3 337.533 2.739 20 0 EFADHO CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438251346 1388450159 /nfs/dbraw/zinc/45/01/59/1388450159.db2.gz YSTDUONFIDTMJT-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(Cc2ccc(CF)cc2)C1 ZINC001438251346 1388450163 /nfs/dbraw/zinc/45/01/63/1388450163.db2.gz YSTDUONFIDTMJT-IBGZPJMESA-N 1 3 349.494 2.921 20 0 EFADHO CCCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001420222645 1376575253 /nfs/dbraw/zinc/57/52/53/1376575253.db2.gz WHVCEWIRIVODGN-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCCc1ccc(CN(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001420222645 1376575262 /nfs/dbraw/zinc/57/52/62/1376575262.db2.gz WHVCEWIRIVODGN-VQIMIIECSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001420364037 1376811576 /nfs/dbraw/zinc/81/15/76/1376811576.db2.gz ADSFTZUZYJQBMY-KGLIPLIRSA-N 1 3 325.884 2.837 20 0 EFADHO CC[N@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)c(C)c1 ZINC001420397571 1376879549 /nfs/dbraw/zinc/87/95/49/1376879549.db2.gz LQVLMMCYIOONOR-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@@H+](CCNC(=O)C1(N(C)C)CCC1)Cc1ccc(C)c(C)c1 ZINC001420397571 1376879567 /nfs/dbraw/zinc/87/95/67/1376879567.db2.gz LQVLMMCYIOONOR-UHFFFAOYSA-N 1 3 331.504 2.726 20 0 EFADHO CC[N@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)cc(C)c1 ZINC001420424487 1376937796 /nfs/dbraw/zinc/93/77/96/1376937796.db2.gz ULZWMEZGSKFOPK-MRXNPFEDSA-N 1 3 331.504 2.583 20 0 EFADHO CC[N@@H+](CCNC(=O)CN1CC[C@@H](C)C1)Cc1cc(C)cc(C)c1 ZINC001420424487 1376937800 /nfs/dbraw/zinc/93/78/00/1376937800.db2.gz ULZWMEZGSKFOPK-MRXNPFEDSA-N 1 3 331.504 2.583 20 0 EFADHO CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc2ncccc2c1)N(C)C ZINC001420429009 1376950545 /nfs/dbraw/zinc/95/05/45/1376950545.db2.gz UEUFEIXEOLKIEG-IBGZPJMESA-N 1 3 342.487 2.513 20 0 EFADHO CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc2ncccc2c1)N(C)C ZINC001420429009 1376950557 /nfs/dbraw/zinc/95/05/57/1376950557.db2.gz UEUFEIXEOLKIEG-IBGZPJMESA-N 1 3 342.487 2.513 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)C1(N(C)C)CCC1 ZINC001420437692 1376972886 /nfs/dbraw/zinc/97/28/86/1376972886.db2.gz OAHAMNAAVGQRDK-LBPRGKRZSA-N 1 3 341.858 2.558 20 0 EFADHO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001420538763 1377152325 /nfs/dbraw/zinc/15/23/25/1377152325.db2.gz IBLHZHDYMAHCGI-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CN(C)CC(C)(C)C)C2)cc1 ZINC001420538763 1377152328 /nfs/dbraw/zinc/15/23/28/1377152328.db2.gz IBLHZHDYMAHCGI-IBGZPJMESA-N 1 3 345.531 2.911 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001420554577 1377184899 /nfs/dbraw/zinc/18/48/99/1377184899.db2.gz NMCLYPIFNDPGNQ-SJORKVTESA-N 1 3 340.471 2.768 20 0 EFADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001420554577 1377184900 /nfs/dbraw/zinc/18/49/00/1377184900.db2.gz NMCLYPIFNDPGNQ-SJORKVTESA-N 1 3 340.471 2.768 20 0 EFADHO C[C@@H](C[N@H+](C)Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420582719 1377249207 /nfs/dbraw/zinc/24/92/07/1377249207.db2.gz DIJUTZWDRHRMTB-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](C[N@@H+](C)Cc1ccccc1C1CC1)NC(=O)C1(N(C)C)CCC1 ZINC001420582719 1377249209 /nfs/dbraw/zinc/24/92/09/1377249209.db2.gz DIJUTZWDRHRMTB-INIZCTEOSA-N 1 3 343.515 2.985 20 0 EFADHO C[C@@H](c1ccccc1)[N@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420661224 1377443675 /nfs/dbraw/zinc/44/36/75/1377443675.db2.gz GYOLWUXKJWFZFO-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H](c1ccccc1)[N@@H+](CCNC(=O)CN(C)C1CCC1)C1CC1 ZINC001420661224 1377443677 /nfs/dbraw/zinc/44/36/77/1377443677.db2.gz GYOLWUXKJWFZFO-INIZCTEOSA-N 1 3 329.488 2.813 20 0 EFADHO C[C@@H](NCCN(C)C(=O)CCC[NH+](C)C)c1ccccc1Cl ZINC001420726681 1377572614 /nfs/dbraw/zinc/57/26/14/1377572614.db2.gz MSVPAFXHQBAFNO-CQSZACIVSA-N 1 3 325.884 2.791 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@H](CNCc2ccccc2Cl)C2CC2)CC1 ZINC001420756197 1377603896 /nfs/dbraw/zinc/60/38/96/1377603896.db2.gz FKHYHJVEPDRVML-GOSISDBHSA-N 1 3 349.906 2.666 20 0 EFADHO C[NH+](C)CC1(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCCC2)CC1 ZINC001420793448 1377678958 /nfs/dbraw/zinc/67/89/58/1377678958.db2.gz WQDZAASMPLAELG-KDURUIRLSA-N 1 3 347.547 2.974 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001420897047 1377854202 /nfs/dbraw/zinc/85/42/02/1377854202.db2.gz UFDXZTUUCPUFNM-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN(C)CC(=O)NCC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001420897047 1377854204 /nfs/dbraw/zinc/85/42/04/1377854204.db2.gz UFDXZTUUCPUFNM-ROUUACIJSA-N 1 3 331.504 2.918 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(CC)cc2)CC1 ZINC001420949462 1377926959 /nfs/dbraw/zinc/92/69/59/1377926959.db2.gz ALZQOBZLOGDOFE-IBGZPJMESA-N 1 3 343.515 2.862 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001420952624 1377931528 /nfs/dbraw/zinc/93/15/28/1377931528.db2.gz KWRSQSPBGLSXIJ-LJQANCHMSA-N 1 3 343.515 2.916 20 0 EFADHO CN(C)C1(C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CC2)CCC1 ZINC001420955169 1377936073 /nfs/dbraw/zinc/93/60/73/1377936073.db2.gz BJFGSQSBXWOHCN-UHFFFAOYSA-N 1 3 335.536 2.926 20 0 EFADHO Cc1[nH]cnc1CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001420997933 1377998708 /nfs/dbraw/zinc/99/87/08/1377998708.db2.gz JKVYPDCZVPWTHK-HOCLYGCPSA-N 1 3 332.492 2.715 20 0 EFADHO Cc1cc(CNC2(CNC(=O)CC[NH+]3CCCCC3)CC2)cs1 ZINC001421007714 1378012609 /nfs/dbraw/zinc/01/26/09/1378012609.db2.gz ZAOPACRRHXYWHX-UHFFFAOYSA-N 1 3 335.517 2.671 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001421014214 1378022153 /nfs/dbraw/zinc/02/21/53/1378022153.db2.gz NJMFYDINCXQHDC-SFHVURJKSA-N 1 3 341.515 2.970 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(CCF)C1CCCCCC1 ZINC001421014214 1378022159 /nfs/dbraw/zinc/02/21/59/1378022159.db2.gz NJMFYDINCXQHDC-SFHVURJKSA-N 1 3 341.515 2.970 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001421034987 1378052267 /nfs/dbraw/zinc/05/22/67/1378052267.db2.gz CKJBJAHQBKAPDK-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001421034987 1378052271 /nfs/dbraw/zinc/05/22/71/1378052271.db2.gz CKJBJAHQBKAPDK-FQEVSTJZSA-N 1 3 335.536 2.833 20 0 EFADHO CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCc1ccccc1F ZINC001438352446 1388528019 /nfs/dbraw/zinc/52/80/19/1388528019.db2.gz ZOJBEJJEFXLXMB-QGZVFWFLSA-N 1 3 335.467 2.542 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2)C[C@H]1C ZINC001421099992 1378124984 /nfs/dbraw/zinc/12/49/84/1378124984.db2.gz GWHXTQDJBZXWOA-MJGOQNOKSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)cc2)C[C@@H]1C ZINC001421110304 1378140095 /nfs/dbraw/zinc/14/00/95/1378140095.db2.gz UWWZCLPOLJUOKZ-FUHWJXTLSA-N 1 3 347.503 2.506 20 0 EFADHO CC(C)[C@H](C(=O)NCC1C[NH+](CC/C=C\c2ccccc2)C1)N(C)C ZINC001421163659 1378209558 /nfs/dbraw/zinc/20/95/58/1378209558.db2.gz UUECHKQRGXVLAE-VUBAQRPUSA-N 1 3 343.515 2.724 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001421175215 1378230684 /nfs/dbraw/zinc/23/06/84/1378230684.db2.gz XIOXZSYLTGDIOI-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC001421175215 1378230688 /nfs/dbraw/zinc/23/06/88/1378230688.db2.gz XIOXZSYLTGDIOI-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CCCN(C)CC(=O)NCC1C[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001421182906 1378242195 /nfs/dbraw/zinc/24/21/95/1378242195.db2.gz LNCYRQXSIOJUJE-UHFFFAOYSA-N 1 3 331.504 2.502 20 0 EFADHO CCC[N@H+](C)CCC(=O)NCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001421184680 1378245245 /nfs/dbraw/zinc/24/52/45/1378245245.db2.gz UILVOULVGJDOKS-UHFFFAOYSA-N 1 3 345.531 2.892 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NCC1CN(Cc2c(C)cc(C)cc2C)C1 ZINC001421184680 1378245247 /nfs/dbraw/zinc/24/52/47/1378245247.db2.gz UILVOULVGJDOKS-UHFFFAOYSA-N 1 3 345.531 2.892 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421209179 1378278076 /nfs/dbraw/zinc/27/80/76/1378278076.db2.gz DLRKFSCDZXLLPH-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc3c(c2)CCC3)C1 ZINC001421209179 1378278088 /nfs/dbraw/zinc/27/80/88/1378278088.db2.gz DLRKFSCDZXLLPH-NRFANRHFSA-N 1 3 343.515 2.598 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2C)C1)N(C)C ZINC001421250378 1378348123 /nfs/dbraw/zinc/34/81/23/1378348123.db2.gz DQNRWEVSHMYLKO-ICSRJNTNSA-N 1 3 349.494 2.803 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001421264808 1378375515 /nfs/dbraw/zinc/37/55/15/1378375515.db2.gz WGXNEUOMQABWAC-FUHWJXTLSA-N 1 3 337.533 2.725 20 0 EFADHO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421270037 1378385623 /nfs/dbraw/zinc/38/56/23/1378385623.db2.gz BJTWBDCUJUJXEJ-QYZOEREBSA-N 1 3 331.504 2.914 20 0 EFADHO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001421270037 1378385631 /nfs/dbraw/zinc/38/56/31/1378385631.db2.gz BJTWBDCUJUJXEJ-QYZOEREBSA-N 1 3 331.504 2.914 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571474 1378828634 /nfs/dbraw/zinc/82/86/34/1378828634.db2.gz FUKULYLJEQXYOH-ZRNYENFQSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571474 1378828639 /nfs/dbraw/zinc/82/86/39/1378828639.db2.gz FUKULYLJEQXYOH-ZRNYENFQSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571469 1378828761 /nfs/dbraw/zinc/82/87/61/1378828761.db2.gz FUKULYLJEQXYOH-YSTOQKLRSA-N 1 3 349.563 2.933 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001421571469 1378828762 /nfs/dbraw/zinc/82/87/62/1378828762.db2.gz FUKULYLJEQXYOH-YSTOQKLRSA-N 1 3 349.563 2.933 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccccc2)CC1)N(C)C ZINC001421593667 1378860859 /nfs/dbraw/zinc/86/08/59/1378860859.db2.gz OSYWZQXIFQTOBV-FHWLQOOXSA-N 1 3 331.504 2.586 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)CC(C)(C)C ZINC001421657643 1378958311 /nfs/dbraw/zinc/95/83/11/1378958311.db2.gz HDKFVUAXRZLSPL-OAHLLOKOSA-N 1 3 345.478 2.590 20 0 EFADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001421698498 1379005081 /nfs/dbraw/zinc/00/50/81/1379005081.db2.gz HQYXNMSPULSFLK-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CN(C)C1CCC1)c1cccc(F)c1 ZINC001421698502 1379005149 /nfs/dbraw/zinc/00/51/49/1379005149.db2.gz HQYXNMSPULSFLK-HUUCEWRRSA-N 1 3 335.467 2.713 20 0 EFADHO CCc1cccc(C[NH2+]C2(CNC(=O)CN(C)C3CCC3)CCC2)c1 ZINC001421757579 1379087893 /nfs/dbraw/zinc/08/78/93/1379087893.db2.gz ZDOZHVULJIZXDP-UHFFFAOYSA-N 1 3 343.515 2.862 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NCC1([NH2+]C/C=C\Cl)CCC1 ZINC001421775634 1379120272 /nfs/dbraw/zinc/12/02/72/1379120272.db2.gz GYENZUAHISYFGF-MLBQELRYSA-N 1 3 327.900 2.630 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC001421815786 1379168457 /nfs/dbraw/zinc/16/84/57/1379168457.db2.gz BJRUYGNXAHKKJZ-RTBURBONSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001421842910 1379224477 /nfs/dbraw/zinc/22/44/77/1379224477.db2.gz SXBMDKVILFSDFM-KRWDZBQOSA-N 1 3 335.467 2.685 20 0 EFADHO CN(CCC[N@H+](C)Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001421870870 1379280835 /nfs/dbraw/zinc/28/08/35/1379280835.db2.gz MWDCREMXNFEPDS-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO CN(CCC[N@@H+](C)Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001421870870 1379280841 /nfs/dbraw/zinc/28/08/41/1379280841.db2.gz MWDCREMXNFEPDS-QGZVFWFLSA-N 1 3 337.895 2.715 20 0 EFADHO C[C@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001421904691 1379333601 /nfs/dbraw/zinc/33/36/01/1379333601.db2.gz QYKRGPKEOFSBLC-CQSZACIVSA-N 1 3 345.478 2.733 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001421910229 1379339994 /nfs/dbraw/zinc/33/99/94/1379339994.db2.gz QTBDYSXSUMVZRS-APWZRJJASA-N 1 3 333.520 2.772 20 0 EFADHO CCC[N@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001421953990 1379401999 /nfs/dbraw/zinc/40/19/99/1379401999.db2.gz ADLUZNASKLJNQH-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1Cc2ccccc2CN1CC(C)C ZINC001421953990 1379402004 /nfs/dbraw/zinc/40/20/04/1379402004.db2.gz ADLUZNASKLJNQH-HXUWFJFHSA-N 1 3 345.531 2.917 20 0 EFADHO CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C1(N(C)C)CCC1 ZINC001422016128 1379486750 /nfs/dbraw/zinc/48/67/50/1379486750.db2.gz YCDBPRIFKYKYKR-SFHVURJKSA-N 1 3 331.504 2.791 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC001422020799 1379498076 /nfs/dbraw/zinc/49/80/76/1379498076.db2.gz ANDXAALGYWBJDH-ADUFIXBUSA-N 1 3 348.318 2.616 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2F)[C@H](C)C1 ZINC001422032750 1379518137 /nfs/dbraw/zinc/51/81/37/1379518137.db2.gz RFLRBQPSPQEYHW-VQIMIIECSA-N 1 3 349.494 2.537 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2)[C@@H](C)C1 ZINC001422034100 1379519069 /nfs/dbraw/zinc/51/90/69/1379519069.db2.gz SVIVWTOMFNNSJG-FXAWDEMLSA-N 1 3 345.531 2.917 20 0 EFADHO Cc1ncccc1C[NH2+][C@H](CNC(=O)CN(C)CC(C)(C)C)C(C)C ZINC001422110670 1379625617 /nfs/dbraw/zinc/62/56/17/1379625617.db2.gz TYIMGDDXEWQVFD-GOSISDBHSA-N 1 3 348.535 2.598 20 0 EFADHO C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CCN1Cc1ccc(F)cc1 ZINC001422117464 1379635295 /nfs/dbraw/zinc/63/52/95/1379635295.db2.gz CAHLYURJQBPHJQ-MAUKXSAKSA-N 1 3 335.467 2.637 20 0 EFADHO C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CCCN1C)c1ccc(F)cc1F ZINC001422149887 1379688789 /nfs/dbraw/zinc/68/87/89/1379688789.db2.gz IBTCZGIELPGSAF-OGHNNQOOSA-N 1 3 339.430 2.604 20 0 EFADHO Cc1cc(F)ccc1C[NH2+][C@@H](C)CCNC(=O)CN(C)C1CCC1 ZINC001422150382 1379689246 /nfs/dbraw/zinc/68/92/46/1379689246.db2.gz ADBYNXXFZPQHHJ-HNNXBMFYSA-N 1 3 335.467 2.603 20 0 EFADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001422151909 1379691684 /nfs/dbraw/zinc/69/16/84/1379691684.db2.gz LVBAIVZAPRDVTL-IFXJQAMLSA-N 1 3 347.478 2.782 20 0 EFADHO CCCN(C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC001422186746 1379746170 /nfs/dbraw/zinc/74/61/70/1379746170.db2.gz ZYUQDJKUUIJTDI-UHFFFAOYSA-N 1 3 335.536 2.833 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CCCF)CC1 ZINC001422210246 1379778802 /nfs/dbraw/zinc/77/88/02/1379778802.db2.gz OYSLWVDLGUOSDT-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CCCF)CC1 ZINC001422210246 1379778806 /nfs/dbraw/zinc/77/88/06/1379778806.db2.gz OYSLWVDLGUOSDT-SFHVURJKSA-N 1 3 341.515 2.781 20 0 EFADHO Cc1cccc(CN(C)CCN(C)C(=O)CCC[NH+]2CCCC2)c1 ZINC001422228840 1379813165 /nfs/dbraw/zinc/81/31/65/1379813165.db2.gz DOSYPUFAGRZINT-UHFFFAOYSA-N 1 3 331.504 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2Cc2csc(C)c2)C1 ZINC001422244826 1379847004 /nfs/dbraw/zinc/84/70/04/1379847004.db2.gz IGSQTLOBHBUMBY-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2csc(C)c2)C1 ZINC001422244826 1379847010 /nfs/dbraw/zinc/84/70/10/1379847010.db2.gz IGSQTLOBHBUMBY-MSOLQXFVSA-N 1 3 349.544 2.821 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@H+](C)C/C=C\c1ccccc1 ZINC001422256773 1379870449 /nfs/dbraw/zinc/87/04/49/1379870449.db2.gz RCZXYYTYTXWTGQ-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C\c1ccccc1 ZINC001422256773 1379870456 /nfs/dbraw/zinc/87/04/56/1379870456.db2.gz RCZXYYTYTXWTGQ-CRLZUZNUSA-N 1 3 343.515 2.964 20 0 EFADHO CN(C)C1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]C/C(Cl)=C/Cl)CCC1 ZINC001422293552 1379903337 /nfs/dbraw/zinc/90/33/37/1379903337.db2.gz ZHMAIFIWUOYNNS-XWJOTYRJSA-N 1 3 348.318 2.664 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@H]1CCCc2ccccc21 ZINC001438496240 1388641252 /nfs/dbraw/zinc/64/12/52/1388641252.db2.gz DTDXTFYTCORWOJ-LPHOPBHVSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001438496242 1388641354 /nfs/dbraw/zinc/64/13/54/1388641354.db2.gz DTDXTFYTCORWOJ-QFBILLFUSA-N 1 3 343.515 2.890 20 0 EFADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001438502960 1388643323 /nfs/dbraw/zinc/64/33/23/1388643323.db2.gz YTDFKSSPYYIAEI-GJZGRUSLSA-N 1 3 335.467 2.713 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001422515941 1380234995 /nfs/dbraw/zinc/23/49/95/1380234995.db2.gz JCIZJLJRCXXYCX-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)N(C)C)c(C)c1 ZINC001422515941 1380234998 /nfs/dbraw/zinc/23/49/98/1380234998.db2.gz JCIZJLJRCXXYCX-HKUYNNGSSA-N 1 3 333.520 2.826 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@H]1CCCc2ccc(F)cc21)N(C)C ZINC001422517994 1380240267 /nfs/dbraw/zinc/24/02/67/1380240267.db2.gz QIXNHMOGDKRBJD-CCKFTAQKSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@H+](C)CCC1CCCC1 ZINC001422559986 1380322174 /nfs/dbraw/zinc/32/21/74/1380322174.db2.gz JMLLIGKMFHLKQP-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[N@@H+](C)CCC1CCCC1 ZINC001422559986 1380322178 /nfs/dbraw/zinc/32/21/78/1380322178.db2.gz JMLLIGKMFHLKQP-MRXNPFEDSA-N 1 3 325.541 2.981 20 0 EFADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1ccc(Cl)cc1 ZINC001438533564 1388660401 /nfs/dbraw/zinc/66/04/01/1388660401.db2.gz SLBRRPDOGCPSMC-HUUCEWRRSA-N 1 3 337.895 2.524 20 0 EFADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N(C)C ZINC001422696928 1380622616 /nfs/dbraw/zinc/62/26/16/1380622616.db2.gz ODQYDOPYGSUGCE-OZVIIMIRSA-N 1 3 343.874 2.975 20 0 EFADHO CCO[C@H](CC[NH+](C)C)CNCc1cnc(CC(F)(F)F)s1 ZINC001422739138 1380738262 /nfs/dbraw/zinc/73/82/62/1380738262.db2.gz WPYAZAJKVLKIRV-LLVKDONJSA-N 1 3 339.427 2.694 20 0 EFADHO CC(C)[C@@H](C(=O)N[C@@H](C)CN(C)C/C=C/c1ccccc1)[NH+](C)C ZINC001422823936 1380862724 /nfs/dbraw/zinc/86/27/24/1380862724.db2.gz LKTWNJBRZZVVFW-VHCSCNJLSA-N 1 3 331.504 2.723 20 0 EFADHO Cc1ccc(CN(C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1F ZINC001422832595 1380881702 /nfs/dbraw/zinc/88/17/02/1380881702.db2.gz ZNDCQNXIQPFWGF-QAPCUYQASA-N 1 3 337.483 2.657 20 0 EFADHO CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2ccc(F)cc2)CCCC1)N(C)C ZINC001438595467 1388688328 /nfs/dbraw/zinc/68/83/28/1388688328.db2.gz GJYYOXIFORGXPZ-SFHVURJKSA-N 1 3 349.494 2.931 20 0 EFADHO C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001422917501 1381051946 /nfs/dbraw/zinc/05/19/46/1381051946.db2.gz MDYFXOXBNVVJTE-PQUAAJSLSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](C[N@@H+](C)CC1CC(C)C1)NC(=O)c1cccc(CN(C)C)c1 ZINC001422917501 1381051951 /nfs/dbraw/zinc/05/19/51/1381051951.db2.gz MDYFXOXBNVVJTE-PQUAAJSLSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@H](C(=O)N1CCC(N(C)C/C=C/Cl)CC1)[NH+]1CCCCCC1 ZINC001422950063 1381109502 /nfs/dbraw/zinc/10/95/02/1381109502.db2.gz YZZBJPJMCMOBSE-OJXHRBAXSA-N 1 3 341.927 2.926 20 0 EFADHO CN(CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1)CC(C)(C)C ZINC001423020366 1381221397 /nfs/dbraw/zinc/22/13/97/1381221397.db2.gz MFXJAQFETZRQKU-GOSISDBHSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C(=O)CN(C)C1CCC1 ZINC001438653371 1388721134 /nfs/dbraw/zinc/72/11/34/1388721134.db2.gz QITNNVZTGVPBDI-AWEZNQCLSA-N 1 3 337.895 2.761 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC001423151126 1381448714 /nfs/dbraw/zinc/44/87/14/1381448714.db2.gz BCKJKZTUNCCOBQ-KDOFPFPSSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC001423151131 1381449468 /nfs/dbraw/zinc/44/94/68/1381449468.db2.gz BCKJKZTUNCCOBQ-RDTXWAMCSA-N 1 3 335.467 2.591 20 0 EFADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC001423160796 1381472592 /nfs/dbraw/zinc/47/25/92/1381472592.db2.gz QEHJXCUBDAJXJZ-ZDUSSCGKSA-N 1 3 325.522 2.643 20 0 EFADHO C[C@H](C[NH2+]Cc1ccc(C(F)F)cc1)N(C)C(=O)[C@H]1CCCN1C ZINC001438671642 1388729256 /nfs/dbraw/zinc/72/92/56/1388729256.db2.gz BRBOGAIZPWADFY-CZUORRHYSA-N 1 3 339.430 2.655 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001423230453 1381633426 /nfs/dbraw/zinc/63/34/26/1381633426.db2.gz PBTPVJXQHLGIAQ-QGZVFWFLSA-N 1 3 349.906 2.953 20 0 EFADHO C[C@@H]1[C@H]([NH2+]CC2CC(F)(F)C2)CCN1C(=O)CN(C)CC(C)(C)C ZINC001423316963 1381774357 /nfs/dbraw/zinc/77/43/57/1381774357.db2.gz DRTLXBPAZCMQCN-UKRRQHHQSA-N 1 3 345.478 2.589 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001423318076 1381776938 /nfs/dbraw/zinc/77/69/38/1381776938.db2.gz DWOVLFDGKWFWPA-QLOJAFMTSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CCC([C@H]2CC[N@@H+](CC3CC(C)C3)C2)CC1 ZINC001423318076 1381776940 /nfs/dbraw/zinc/77/69/40/1381776940.db2.gz DWOVLFDGKWFWPA-QLOJAFMTSA-N 1 3 349.563 2.935 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2C)[C@@H]1C ZINC001423319786 1381777852 /nfs/dbraw/zinc/77/78/52/1381777852.db2.gz ABKPEEBRYAHVSK-PKOBYXMFSA-N 1 3 331.504 2.724 20 0 EFADHO C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CCCN1CCCF ZINC001423371145 1381864355 /nfs/dbraw/zinc/86/43/55/1381864355.db2.gz JNNALJVPIBBIHA-SJORKVTESA-N 1 3 341.515 2.827 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)cc1 ZINC001423372400 1381865481 /nfs/dbraw/zinc/86/54/81/1381865481.db2.gz LZULPNGWZAKLKT-HKUYNNGSSA-N 1 3 331.504 2.806 20 0 EFADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001438704449 1388749459 /nfs/dbraw/zinc/74/94/59/1388749459.db2.gz COKBGGRYOLDTIZ-HNAYVOBHSA-N 1 3 349.494 2.981 20 0 EFADHO CC1CC(C[NH2+]C[C@@H](NC(=O)C2(N(C)C)CCC2)C2CCCC2)C1 ZINC001423539016 1382032819 /nfs/dbraw/zinc/03/28/19/1382032819.db2.gz NXTJSTHICMAYTR-LEOMRAHMSA-N 1 3 335.536 2.781 20 0 EFADHO CCc1ccc(CN2CC[C@](C)(NC(=O)C3(C[NH+](C)C)CC3)C2)cc1 ZINC001423575032 1382099289 /nfs/dbraw/zinc/09/92/89/1382099289.db2.gz MVMPGWFDKHEPRS-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423577460 1382103714 /nfs/dbraw/zinc/10/37/14/1382103714.db2.gz COVJZGSBYCCKLB-IBGZPJMESA-N 1 3 335.467 2.579 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@]1(C)CCN(Cc2ccc(CF)cc2)C1 ZINC001423577460 1382103719 /nfs/dbraw/zinc/10/37/19/1382103719.db2.gz COVJZGSBYCCKLB-IBGZPJMESA-N 1 3 335.467 2.579 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1cccc(F)c1)C(C)(C)C ZINC001423620782 1382179090 /nfs/dbraw/zinc/17/90/90/1382179090.db2.gz ZYHZOQPCMWFPGQ-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO CC[C@@H](C(=O)NCC1(C)CC[NH+](CCc2ccccc2)CC1)N(C)C ZINC001423674069 1382265166 /nfs/dbraw/zinc/26/51/66/1382265166.db2.gz GBOGFQKGHWIFLR-IBGZPJMESA-N 1 3 345.531 2.788 20 0 EFADHO CN(CC(=O)N(C)C1CC([NH2+]C/C=C\c2ccccc2)C1)C1CCC1 ZINC001423688584 1382292669 /nfs/dbraw/zinc/29/26/69/1382292669.db2.gz QHNRSTGSKPGIFS-YFHOEESVSA-N 1 3 341.499 2.763 20 0 EFADHO CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001438774884 1388804719 /nfs/dbraw/zinc/80/47/19/1388804719.db2.gz DCZHMIKIUGWZBL-GOSISDBHSA-N 1 3 325.541 2.789 20 0 EFADHO CC(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001438774884 1388804722 /nfs/dbraw/zinc/80/47/22/1388804722.db2.gz DCZHMIKIUGWZBL-GOSISDBHSA-N 1 3 325.541 2.789 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]C/C=C/Cl ZINC001438776568 1388805778 /nfs/dbraw/zinc/80/57/78/1388805778.db2.gz QNXCFCUKXBTBQH-OCESRQBRSA-N 1 3 329.916 2.543 20 0 EFADHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@H]1[NH2+]C/C=C\Cl ZINC001438776563 1388805797 /nfs/dbraw/zinc/80/57/97/1388805797.db2.gz QNXCFCUKXBTBQH-JHSOUAKNSA-N 1 3 329.916 2.543 20 0 EFADHO O=C(CCC[NH+]1CCCCC1)NCC1(NC/C=C/Cl)CCC1 ZINC001424211981 1382871499 /nfs/dbraw/zinc/87/14/99/1382871499.db2.gz DHFQPYRORHLZHH-UXBLZVDNSA-N 1 3 327.900 2.634 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCN(C/C=C\Cl)CC1 ZINC001424284906 1382918269 /nfs/dbraw/zinc/91/82/69/1382918269.db2.gz YLGDOKFJZLWKMJ-MEMKZHQFSA-N 1 3 327.900 2.586 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001424512707 1383064205 /nfs/dbraw/zinc/06/42/05/1383064205.db2.gz LICPJBAYPHEZKB-GJZGRUSLSA-N 1 3 345.478 2.589 20 0 EFADHO CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(C)C)N(C)C ZINC001424512707 1383064209 /nfs/dbraw/zinc/06/42/09/1383064209.db2.gz LICPJBAYPHEZKB-GJZGRUSLSA-N 1 3 345.478 2.589 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC001424603167 1383205945 /nfs/dbraw/zinc/20/59/45/1383205945.db2.gz OQQWIVUIIJDIKK-RLFYNMQTSA-N 1 3 337.483 2.957 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCC1 ZINC001424682198 1383253282 /nfs/dbraw/zinc/25/32/82/1383253282.db2.gz HVRPNFVSHCLWRV-UYAOXDASSA-N 1 3 329.488 2.500 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCCc1ccccc1)N(C)C ZINC001424702665 1383275602 /nfs/dbraw/zinc/27/56/02/1383275602.db2.gz KDJVSUGFRAAEAU-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCc1ccccc1)N(C)C ZINC001424702665 1383275605 /nfs/dbraw/zinc/27/56/05/1383275605.db2.gz KDJVSUGFRAAEAU-UXHICEINSA-N 1 3 345.531 2.882 20 0 EFADHO Cc1ccc(CN(C)C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc1F ZINC001424705449 1383278580 /nfs/dbraw/zinc/27/85/80/1383278580.db2.gz CAFMTWALIKWBHV-SFHVURJKSA-N 1 3 349.494 2.899 20 0 EFADHO Cc1cc(CN2CC([C@@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001425248115 1383564561 /nfs/dbraw/zinc/56/45/61/1383564561.db2.gz XWHLDHGPMKWAEN-CQSZACIVSA-N 1 3 349.544 2.643 20 0 EFADHO Cc1cc(CN2CC([C@H](C)NC(=O)C3(C[NH+](C)C)CC3)C2)c(C)s1 ZINC001425248096 1383564822 /nfs/dbraw/zinc/56/48/22/1383564822.db2.gz XWHLDHGPMKWAEN-AWEZNQCLSA-N 1 3 349.544 2.643 20 0 EFADHO CCC[N@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001425267370 1383581940 /nfs/dbraw/zinc/58/19/40/1383581940.db2.gz KKMYNTDSZPQPSY-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC001425267370 1383581945 /nfs/dbraw/zinc/58/19/45/1383581945.db2.gz KKMYNTDSZPQPSY-QGZVFWFLSA-N 1 3 331.504 2.663 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C2)c1 ZINC001425951987 1383893875 /nfs/dbraw/zinc/89/38/75/1383893875.db2.gz JEQXWRFJDFPLRB-MOPGFXCFSA-N 1 3 343.515 2.854 20 0 EFADHO Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001438880628 1388886618 /nfs/dbraw/zinc/88/66/18/1388886618.db2.gz AEIKWKZPFGMPAK-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1cc(C)cc(C[N@H+](C)CCN(C)C(=O)C2(N(C)C)CCC2)c1 ZINC001438880628 1388886623 /nfs/dbraw/zinc/88/66/23/1388886623.db2.gz AEIKWKZPFGMPAK-UHFFFAOYSA-N 1 3 331.504 2.678 20 0 EFADHO Cc1ccc(CN(C)CCN(C)C(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001438905318 1388907170 /nfs/dbraw/zinc/90/71/70/1388907170.db2.gz VMOOQAWZQWUCDR-UHFFFAOYSA-N 1 3 331.504 2.535 20 0 EFADHO CCc1ccc(CN(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001438926998 1388925531 /nfs/dbraw/zinc/92/55/31/1388925531.db2.gz DAKXXTZGHLQBPY-IBGZPJMESA-N 1 3 333.520 2.725 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438938068 1388937534 /nfs/dbraw/zinc/93/75/34/1388937534.db2.gz MMHSSKFIDAVHGT-GDBMZVCRSA-N 1 3 337.895 2.743 20 0 EFADHO C[C@H](c1cccc(Cl)c1)N(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438938068 1388937536 /nfs/dbraw/zinc/93/75/36/1388937536.db2.gz MMHSSKFIDAVHGT-GDBMZVCRSA-N 1 3 337.895 2.743 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCc2cccs2)C1 ZINC001438951345 1388948843 /nfs/dbraw/zinc/94/88/43/1388948843.db2.gz NXOVFHFWVBRURR-FUHWJXTLSA-N 1 3 349.544 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCc2cccs2)C1 ZINC001438951345 1388948849 /nfs/dbraw/zinc/94/88/49/1388948849.db2.gz NXOVFHFWVBRURR-FUHWJXTLSA-N 1 3 349.544 2.555 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1Cl)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439080950 1388984865 /nfs/dbraw/zinc/98/48/65/1388984865.db2.gz GRCFJKZXSWSCTM-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CCN[C@H](C)c1ccccc1Cl)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439080950 1388984870 /nfs/dbraw/zinc/98/48/70/1388984870.db2.gz GRCFJKZXSWSCTM-HUUCEWRRSA-N 1 3 337.895 2.791 20 0 EFADHO CCN(CC)[C@H](CNC(=O)CC[NH2+]C(C)(C)C)c1cccc(OC)c1 ZINC001433602980 1386934902 /nfs/dbraw/zinc/93/49/02/1386934902.db2.gz WXBJHLBKXPKZQD-GOSISDBHSA-N 1 3 349.519 2.973 20 0 EFADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccc2ccccc2c1)N(C)C ZINC001439153100 1389017571 /nfs/dbraw/zinc/01/75/71/1389017571.db2.gz IZCMLFWVGPUSGG-BEFAXECRSA-N 1 3 327.472 2.774 20 0 EFADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(F)F)c1)N(C)C ZINC001439251054 1389072916 /nfs/dbraw/zinc/07/29/16/1389072916.db2.gz XWECZJFFLMOEJF-XJKSGUPXSA-N 1 3 341.446 2.805 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439332890 1389152728 /nfs/dbraw/zinc/15/27/28/1389152728.db2.gz PWSGLIXSOHBIMS-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001439332890 1389152736 /nfs/dbraw/zinc/15/27/36/1389152736.db2.gz PWSGLIXSOHBIMS-OAHLLOKOSA-N 1 3 335.467 2.555 20 0 EFADHO CCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001439414550 1389270904 /nfs/dbraw/zinc/27/09/04/1389270904.db2.gz BMXDLAZQYYVUNN-IEBWSBKVSA-N 1 3 349.494 2.932 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2(C)CC[NH+](CCCC3CCC3)CC2)C1 ZINC001439804478 1389334284 /nfs/dbraw/zinc/33/42/84/1389334284.db2.gz WYDITBPJRRSCRJ-KRWDZBQOSA-N 1 3 335.536 2.879 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@H+](CCC1CC1)C2)CC(C)(C)C ZINC001506867011 1406376441 /nfs/dbraw/zinc/37/64/41/1406376441.db2.gz YUUXQGNWTMINNP-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO CN(CC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2)CC(C)(C)C ZINC001506867011 1406376452 /nfs/dbraw/zinc/37/64/52/1406376452.db2.gz YUUXQGNWTMINNP-UHFFFAOYSA-N 1 3 335.536 2.689 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001440217074 1389446294 /nfs/dbraw/zinc/44/62/94/1389446294.db2.gz FVWZWTHMRJNRQJ-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO CC[N@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C1CC1 ZINC001440254484 1389478763 /nfs/dbraw/zinc/47/87/63/1389478763.db2.gz QHNGUSHFRCQLSS-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CCN1Cc1ccccc1C1CC1 ZINC001440254484 1389478767 /nfs/dbraw/zinc/47/87/67/1389478767.db2.gz QHNGUSHFRCQLSS-LJQANCHMSA-N 1 3 343.515 2.939 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC1 ZINC001440301453 1389514936 /nfs/dbraw/zinc/51/49/36/1389514936.db2.gz COPLWENPHFQKTR-FZNQNYSPSA-N 1 3 349.906 2.666 20 0 EFADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001440364004 1389568728 /nfs/dbraw/zinc/56/87/28/1389568728.db2.gz JQIPZJAEVPSQGN-FHWLQOOXSA-N 1 3 331.504 2.628 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1)C1CCC1 ZINC001440392509 1389588245 /nfs/dbraw/zinc/58/82/45/1389588245.db2.gz OGZFAAOVKHBZLE-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CN(CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)CC1)C1CCC1 ZINC001440392509 1389588249 /nfs/dbraw/zinc/58/82/49/1389588249.db2.gz OGZFAAOVKHBZLE-GOSISDBHSA-N 1 3 347.478 2.781 20 0 EFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001440417910 1389615284 /nfs/dbraw/zinc/61/52/84/1389615284.db2.gz AYXUGDNFJSFVSX-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001440417910 1389615286 /nfs/dbraw/zinc/61/52/86/1389615286.db2.gz AYXUGDNFJSFVSX-RTBURBONSA-N 1 3 349.494 2.852 20 0 EFADHO CCc1ccc(CC[N@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001440425848 1389624355 /nfs/dbraw/zinc/62/43/55/1389624355.db2.gz HWFVUCISPYJPML-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CCc1ccc(CC[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCCN2C)cc1 ZINC001440425848 1389624358 /nfs/dbraw/zinc/62/43/58/1389624358.db2.gz HWFVUCISPYJPML-FQEVSTJZSA-N 1 3 345.531 2.666 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001440430144 1389628855 /nfs/dbraw/zinc/62/88/55/1389628855.db2.gz QFNSRYXFZVHNOE-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1C)N(C)C ZINC001440430144 1389628857 /nfs/dbraw/zinc/62/88/57/1389628857.db2.gz QFNSRYXFZVHNOE-GOSISDBHSA-N 1 3 337.483 2.755 20 0 EFADHO Cc1cncc(CN(C)CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001440433488 1389633117 /nfs/dbraw/zinc/63/31/17/1389633117.db2.gz LMUPYODMDGEOMO-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO Cc1cncc(CN(C)CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001440433488 1389633119 /nfs/dbraw/zinc/63/31/19/1389633119.db2.gz LMUPYODMDGEOMO-IBGZPJMESA-N 1 3 346.519 2.543 20 0 EFADHO CN(CCC[N@H+](C)C/C=C/c1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001440441179 1389639031 /nfs/dbraw/zinc/63/90/31/1389639031.db2.gz CKMFLYXLBURGOV-SQSZOCELSA-N 1 3 343.515 2.964 20 0 EFADHO CN(CCC[N@@H+](C)C/C=C/c1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC001440441179 1389639034 /nfs/dbraw/zinc/63/90/34/1389639034.db2.gz CKMFLYXLBURGOV-SQSZOCELSA-N 1 3 343.515 2.964 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)CC[C@@H]2C1 ZINC001440443931 1389641308 /nfs/dbraw/zinc/64/13/08/1389641308.db2.gz CZTRFQILCIKOCD-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]2C1 ZINC001440443931 1389641310 /nfs/dbraw/zinc/64/13/10/1389641310.db2.gz CZTRFQILCIKOCD-MSOLQXFVSA-N 1 3 337.552 2.935 20 0 EFADHO CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001440539828 1389742353 /nfs/dbraw/zinc/74/23/53/1389742353.db2.gz RHYQHWFYMAHYIG-UXHICEINSA-N 1 3 345.531 2.916 20 0 EFADHO CC[N@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440707497 1389830990 /nfs/dbraw/zinc/83/09/90/1389830990.db2.gz RNAORDSTNVEEAO-YCOJEUHLSA-N 1 3 341.927 2.641 20 0 EFADHO CC[N@@H+](C/C=C/Cl)CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001440707497 1389830994 /nfs/dbraw/zinc/83/09/94/1389830994.db2.gz RNAORDSTNVEEAO-YCOJEUHLSA-N 1 3 341.927 2.641 20 0 EFADHO Cc1cc(CN(C)C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)cs1 ZINC001440731741 1389853145 /nfs/dbraw/zinc/85/31/45/1389853145.db2.gz GPBXWRCYPUALBI-KRWDZBQOSA-N 1 3 349.544 2.821 20 0 EFADHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1C)N(C)C ZINC001440876147 1389971539 /nfs/dbraw/zinc/97/15/39/1389971539.db2.gz BIWPRFIZTRFCIS-GOSISDBHSA-N 1 3 333.520 2.909 20 0 EFADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N(C)Cc1ccc(CF)cc1 ZINC001440972327 1390063203 /nfs/dbraw/zinc/06/32/03/1390063203.db2.gz GJZWQPQAESYTDY-INIZCTEOSA-N 1 3 349.494 2.825 20 0 EFADHO CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001441001544 1391022447 /nfs/dbraw/zinc/02/24/47/1391022447.db2.gz WLFYHGVLROMNEE-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001441001544 1391022454 /nfs/dbraw/zinc/02/24/54/1391022454.db2.gz WLFYHGVLROMNEE-VQIMIIECSA-N 1 3 333.520 2.772 20 0 EFADHO CC(C)[C@@H](CCN(C)C(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccnc1 ZINC001441087462 1391080467 /nfs/dbraw/zinc/08/04/67/1391080467.db2.gz DRICLVJATJRHRA-GOSISDBHSA-N 1 3 346.519 2.529 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001441186275 1391167586 /nfs/dbraw/zinc/16/75/86/1391167586.db2.gz ZXPMSBSMIFBMHB-INIZCTEOSA-N 1 3 331.504 2.527 20 0 EFADHO CCCN(C)CC(=O)N[C@H](C)C1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001441199875 1391176291 /nfs/dbraw/zinc/17/62/91/1391176291.db2.gz DSUQGLZESTUBFP-UZLBHIALSA-N 1 3 343.515 2.842 20 0 EFADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)s2)C1)C1CCC1 ZINC001441387298 1391276955 /nfs/dbraw/zinc/27/69/55/1391276955.db2.gz WAROLYQLXBBXSX-HAQNSBGRSA-N 1 3 341.908 2.623 20 0 EFADHO C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001441387312 1391277021 /nfs/dbraw/zinc/27/70/21/1391277021.db2.gz WFLJVZVELMUTHR-XSLAGTTESA-N 1 3 335.536 2.924 20 0 EFADHO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@H](NC(=O)C3(N(C)C)CCC3)C2)C1 ZINC001441387305 1391277603 /nfs/dbraw/zinc/27/76/03/1391277603.db2.gz WFLJVZVELMUTHR-BRSBDYLESA-N 1 3 335.536 2.924 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN(C)C1CCC1 ZINC001441433037 1391301235 /nfs/dbraw/zinc/30/12/35/1391301235.db2.gz MRUSFCGBCRKXRM-HXUWFJFHSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H](C)c1ccccc1F ZINC001441551846 1391360296 /nfs/dbraw/zinc/36/02/96/1391360296.db2.gz ZVGRQSDZAKALAR-CVEARBPZSA-N 1 3 347.478 2.952 20 0 EFADHO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001441849474 1391423523 /nfs/dbraw/zinc/42/35/23/1391423523.db2.gz MNUALJMCTKOKFB-KRWDZBQOSA-N 1 3 331.504 2.854 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001444306972 1391469169 /nfs/dbraw/zinc/46/91/69/1391469169.db2.gz KGLFIXAHSCPAGQ-DNVCBOLYSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001444306976 1391469520 /nfs/dbraw/zinc/46/95/20/1391469520.db2.gz KGLFIXAHSCPAGQ-HNAYVOBHSA-N 1 3 349.494 2.850 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cc(F)ccc2C)C1 ZINC001446622555 1391562711 /nfs/dbraw/zinc/56/27/11/1391562711.db2.gz ISNHHJCTNUHQQR-FQEVSTJZSA-N 1 3 349.494 2.804 20 0 EFADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F)N(C)C ZINC001447668734 1391728610 /nfs/dbraw/zinc/72/86/10/1391728610.db2.gz YVCJKXNRLNJHTO-GDIGMMSISA-N 1 3 349.494 2.884 20 0 EFADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)N(C)Cc2cccc(F)c2)CC1 ZINC001448112918 1391970467 /nfs/dbraw/zinc/97/04/67/1391970467.db2.gz RWSYJBGXPHSPSO-MRXNPFEDSA-N 1 3 349.494 2.883 20 0 EFADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCCN2CCC(F)(F)F)CC1 ZINC001448267438 1392066656 /nfs/dbraw/zinc/06/66/56/1392066656.db2.gz PZFBRARBNCNINY-AWEZNQCLSA-N 1 3 349.441 2.641 20 0 EFADHO C[C@H](CN(C)C(=O)C(C)(C)N1CCCCC1)[NH2+]CCC(F)(F)F ZINC001448648009 1392139531 /nfs/dbraw/zinc/13/95/31/1392139531.db2.gz GZVDROYWSBORBP-CYBMUJFWSA-N 1 3 337.430 2.640 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1F ZINC001461432794 1396378805 /nfs/dbraw/zinc/37/88/05/1396378805.db2.gz SQDWTXBERSGUJJ-IBGZPJMESA-N 1 3 328.431 2.991 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC001461432794 1396378813 /nfs/dbraw/zinc/37/88/13/1396378813.db2.gz SQDWTXBERSGUJJ-IBGZPJMESA-N 1 3 328.431 2.991 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC001461432797 1396379808 /nfs/dbraw/zinc/37/98/08/1396379808.db2.gz SQDWTXBERSGUJJ-LJQANCHMSA-N 1 3 328.431 2.991 20 0 EFADHO Cc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC001461432797 1396379811 /nfs/dbraw/zinc/37/98/11/1396379811.db2.gz SQDWTXBERSGUJJ-LJQANCHMSA-N 1 3 328.431 2.991 20 0 EFADHO CC1(N2CCOCC2)CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC001462473730 1396437540 /nfs/dbraw/zinc/43/75/40/1396437540.db2.gz AUSKMQGJKURYAJ-FUFFSDJGSA-N 1 3 336.520 2.957 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001464632671 1396591729 /nfs/dbraw/zinc/59/17/29/1396591729.db2.gz MIPFAZTXCBGXSF-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N(CCN(C)C)Cc2ccccc2)C1 ZINC001464632671 1396591733 /nfs/dbraw/zinc/59/17/33/1396591733.db2.gz MIPFAZTXCBGXSF-LJQANCHMSA-N 1 3 331.504 2.699 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915466 1396722173 /nfs/dbraw/zinc/72/21/73/1396722173.db2.gz HSMYFTDCZMWOLL-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC001465915466 1396722178 /nfs/dbraw/zinc/72/21/78/1396722178.db2.gz HSMYFTDCZMWOLL-YSIASYRMSA-N 1 3 343.515 2.886 20 0 EFADHO CCC(C)(C)N1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC001468007892 1396917623 /nfs/dbraw/zinc/91/76/23/1396917623.db2.gz RPTTZVWFAZGZFO-UHFFFAOYSA-N 1 3 338.540 2.767 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001468702739 1396981476 /nfs/dbraw/zinc/98/14/76/1396981476.db2.gz YBPFLWLFBWUIEI-AHRSYUTCSA-N 1 3 345.531 2.944 20 0 EFADHO CC(C)Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)N(C)C)cc1 ZINC001468702739 1396981479 /nfs/dbraw/zinc/98/14/79/1396981479.db2.gz YBPFLWLFBWUIEI-AHRSYUTCSA-N 1 3 345.531 2.944 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001469218624 1397012382 /nfs/dbraw/zinc/01/23/82/1397012382.db2.gz WBIJYDWOQVPMRO-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001469218624 1397012390 /nfs/dbraw/zinc/01/23/90/1397012390.db2.gz WBIJYDWOQVPMRO-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001469218624 1397012400 /nfs/dbraw/zinc/01/24/00/1397012400.db2.gz WBIJYDWOQVPMRO-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001469218624 1397012407 /nfs/dbraw/zinc/01/24/07/1397012407.db2.gz WBIJYDWOQVPMRO-AABGKKOBSA-N 1 3 341.499 2.594 20 0 EFADHO CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCCCN1C ZINC001471508727 1397179964 /nfs/dbraw/zinc/17/99/64/1397179964.db2.gz IVYKKLFGBYIFSC-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO CN(C)c1ccncc1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC001473955811 1397357019 /nfs/dbraw/zinc/35/70/19/1397357019.db2.gz QNYGVLMJAQKUDV-UHFFFAOYSA-N 1 3 325.391 2.762 20 0 EFADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC001473986068 1397361294 /nfs/dbraw/zinc/36/12/94/1397361294.db2.gz JJLGEUUXFVTZHZ-OAHLLOKOSA-N 1 3 333.451 2.935 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)C3(N(C)C)CCC3)C2)cc1 ZINC001479371287 1397706150 /nfs/dbraw/zinc/70/61/50/1397706150.db2.gz LTCGEPSMEMVQJQ-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001479397284 1397714076 /nfs/dbraw/zinc/71/40/76/1397714076.db2.gz APYQHNXPEKKOTM-KKUMJFAQSA-N 1 3 349.441 2.686 20 0 EFADHO C[C@@H](C(=O)NC[C@@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1)N1CCCCCC1 ZINC001479398216 1397714423 /nfs/dbraw/zinc/71/44/23/1397714423.db2.gz GRRYDVBDSNYARI-ZBABMDLNSA-N 1 3 335.536 2.781 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001479408382 1397717464 /nfs/dbraw/zinc/71/74/64/1397717464.db2.gz ITOBIGHRQMWTAR-IHPCNDPISA-N 1 3 345.531 2.874 20 0 EFADHO C[C@H]([NH2+]CCc1ccccc1)[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001479828784 1397923719 /nfs/dbraw/zinc/92/37/19/1397923719.db2.gz FCPWCUHTPUCTKE-QFBILLFUSA-N 1 3 340.471 2.554 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)N[C@@H](C)c1ccccc1F ZINC001480597844 1398237605 /nfs/dbraw/zinc/23/76/05/1398237605.db2.gz VJJXXQMURNFHBR-HOTGVXAUSA-N 1 3 335.467 2.857 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001480675059 1398277099 /nfs/dbraw/zinc/27/70/99/1398277099.db2.gz CNQMJOOEIBZHTJ-CVEARBPZSA-N 1 3 335.467 2.667 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001480711954 1398304575 /nfs/dbraw/zinc/30/45/75/1398304575.db2.gz PRJGKGDIVXINQD-OALUTQOASA-N 1 3 349.494 2.993 20 0 EFADHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2C)C1 ZINC001480711953 1398304707 /nfs/dbraw/zinc/30/47/07/1398304707.db2.gz PRJGKGDIVXINQD-MOPGFXCFSA-N 1 3 349.494 2.993 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](CC)Cc1ccc(C)cc1 ZINC001493061254 1398405175 /nfs/dbraw/zinc/40/51/75/1398405175.db2.gz CDADHZLHADYJMV-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC001493061254 1398405178 /nfs/dbraw/zinc/40/51/78/1398405178.db2.gz CDADHZLHADYJMV-LJQANCHMSA-N 1 3 331.504 2.808 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001493239964 1398556279 /nfs/dbraw/zinc/55/62/79/1398556279.db2.gz NHPGVIURRARFJN-GOSISDBHSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001493239964 1398556283 /nfs/dbraw/zinc/55/62/83/1398556283.db2.gz NHPGVIURRARFJN-GOSISDBHSA-N 1 3 345.531 2.911 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001493414121 1398687516 /nfs/dbraw/zinc/68/75/16/1398687516.db2.gz NEHLPJSWMKRLBX-HNNXBMFYSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001493414121 1398687523 /nfs/dbraw/zinc/68/75/23/1398687523.db2.gz NEHLPJSWMKRLBX-HNNXBMFYSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001493414123 1398688073 /nfs/dbraw/zinc/68/80/73/1398688073.db2.gz NEHLPJSWMKRLBX-OAHLLOKOSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1cc(F)ccc1CN(CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001493414123 1398688077 /nfs/dbraw/zinc/68/80/77/1398688077.db2.gz NEHLPJSWMKRLBX-OAHLLOKOSA-N 1 3 347.478 2.557 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001494021733 1399068319 /nfs/dbraw/zinc/06/83/19/1399068319.db2.gz ODJCXFHQPKDCHB-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CN(CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1)C1CCC1 ZINC001494021733 1399068323 /nfs/dbraw/zinc/06/83/23/1399068323.db2.gz ODJCXFHQPKDCHB-QGZVFWFLSA-N 1 3 347.478 2.638 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001494054575 1399095415 /nfs/dbraw/zinc/09/54/15/1399095415.db2.gz KQTCJFVVOZMWMS-SAFBXNTFSA-N 1 3 343.515 2.868 20 0 EFADHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1)N(C)C ZINC001494054575 1399095420 /nfs/dbraw/zinc/09/54/20/1399095420.db2.gz KQTCJFVVOZMWMS-SAFBXNTFSA-N 1 3 343.515 2.868 20 0 EFADHO CCN(CC)C[C@@H](F)C(=O)NCC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001494557470 1399378154 /nfs/dbraw/zinc/37/81/54/1399378154.db2.gz ONAJFADNHAEQCA-VQIMIIECSA-N 1 3 349.494 2.784 20 0 EFADHO CN(CC(=O)NCC1C[NH+]([C@H]2CCCc3ccccc32)C1)C1CCC1 ZINC001494559217 1399379242 /nfs/dbraw/zinc/37/92/42/1399379242.db2.gz NXDUOFGLAMGYJQ-FQEVSTJZSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H](c1ccccc1)N1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001494634018 1399408219 /nfs/dbraw/zinc/40/82/19/1399408219.db2.gz WJJVAWOOYXENEY-KRWDZBQOSA-N 1 3 329.488 2.672 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001507414335 1407027536 /nfs/dbraw/zinc/02/75/36/1407027536.db2.gz FLFNUMUUNSIMCS-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](CNC/C(Cl)=C\Cl)C1 ZINC001507414335 1407027540 /nfs/dbraw/zinc/02/75/40/1407027540.db2.gz FLFNUMUUNSIMCS-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001507414333 1407027837 /nfs/dbraw/zinc/02/78/37/1407027837.db2.gz FLFNUMUUNSIMCS-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](CNC/C(Cl)=C/Cl)C1 ZINC001507414333 1407027842 /nfs/dbraw/zinc/02/78/42/1407027842.db2.gz FLFNUMUUNSIMCS-OIZKETEYSA-N 1 3 336.307 2.522 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001494723271 1399443761 /nfs/dbraw/zinc/44/37/61/1399443761.db2.gz UTBZRNLGLFVPPS-NZSAHSFTSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)c1 ZINC001494723271 1399443764 /nfs/dbraw/zinc/44/37/64/1399443764.db2.gz UTBZRNLGLFVPPS-NZSAHSFTSA-N 1 3 331.504 2.833 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001495298403 1399806554 /nfs/dbraw/zinc/80/65/54/1399806554.db2.gz OLUQNNPXBDXHJO-LJQANCHMSA-N 1 3 332.492 2.715 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001495670545 1400154560 /nfs/dbraw/zinc/15/45/60/1400154560.db2.gz ZGSASBQNLAHYNP-IEBWSBKVSA-N 1 3 331.504 2.710 20 0 EFADHO Cc1cc(C)c(C[NH2+]C[C@H](C)CNC(=O)CN2CC[C@H](C)C2)c(C)c1 ZINC001495744497 1400220122 /nfs/dbraw/zinc/22/01/22/1400220122.db2.gz XCMOVDLBNNVLTA-RDJZCZTQSA-N 1 3 345.531 2.796 20 0 EFADHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001496463583 1400747691 /nfs/dbraw/zinc/74/76/91/1400747691.db2.gz SGOBEPABFYFVBY-QFBILLFUSA-N 1 3 331.504 2.989 20 0 EFADHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]Cc1cccc(F)c1 ZINC001496560800 1400827739 /nfs/dbraw/zinc/82/77/39/1400827739.db2.gz DELZLGRUUUSNCQ-KRWDZBQOSA-N 1 3 335.467 2.540 20 0 EFADHO CN(CC[N@H+](C)CC[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001496678464 1400915535 /nfs/dbraw/zinc/91/55/35/1400915535.db2.gz BCYIFOHSCCJUTI-QUCCMNQESA-N 1 3 343.515 2.591 20 0 EFADHO CN(CC[N@@H+](C)CC[C@H]1CCc2ccccc21)C(=O)[C@@H]1CCCN1C ZINC001496678464 1400915546 /nfs/dbraw/zinc/91/55/46/1400915546.db2.gz BCYIFOHSCCJUTI-QUCCMNQESA-N 1 3 343.515 2.591 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@H+](C)CCCc2cccc(F)c2)CCC1 ZINC001496717276 1400938613 /nfs/dbraw/zinc/93/86/13/1400938613.db2.gz NNSQDPJNVBTHJK-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO CN(C)C1(C(=O)N(C)CC[N@@H+](C)CCCc2cccc(F)c2)CCC1 ZINC001496717276 1400938617 /nfs/dbraw/zinc/93/86/17/1400938617.db2.gz NNSQDPJNVBTHJK-UHFFFAOYSA-N 1 3 349.494 2.633 20 0 EFADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H]2[C@H](CCN2C/C=C/Cl)C1 ZINC001496865184 1401059877 /nfs/dbraw/zinc/05/98/77/1401059877.db2.gz BUMBRYXYPFZXNZ-OCQNNJOQSA-N 1 3 339.911 2.538 20 0 EFADHO C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC/C(Cl)=C\Cl ZINC001496903025 1401089978 /nfs/dbraw/zinc/08/99/78/1401089978.db2.gz FAKZKWZLYPPZRS-QGBLLJAOSA-N 1 3 336.307 2.522 20 0 EFADHO CC[C@H](C(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2Cl)N(C)C ZINC001497611990 1401493093 /nfs/dbraw/zinc/49/30/93/1401493093.db2.gz RAENWQTXZNFZPG-FDICQLOXSA-N 1 3 349.906 2.930 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001497834144 1401684584 /nfs/dbraw/zinc/68/45/84/1401684584.db2.gz YYVZASUGHYKISZ-JLSDUUJJSA-N 1 3 337.483 2.957 20 0 EFADHO CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC001497906273 1401731690 /nfs/dbraw/zinc/73/16/90/1401731690.db2.gz YYVZASUGHYKISZ-FHLIZLRMSA-N 1 3 337.483 2.957 20 0 EFADHO CC(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001498487148 1402140394 /nfs/dbraw/zinc/14/03/94/1402140394.db2.gz FGPJCBVENYGZAA-DLBZAZTESA-N 1 3 325.541 2.885 20 0 EFADHO CC[C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1[NH2+]CCC(F)(F)F ZINC001498890976 1402362959 /nfs/dbraw/zinc/36/29/59/1402362959.db2.gz XTVQEUPLPOKXJR-ZFWWWQNUSA-N 1 3 349.441 2.640 20 0 EFADHO CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CC[C@@H]1[NH2+]C/C=C/Cl ZINC001498897544 1402366582 /nfs/dbraw/zinc/36/65/82/1402366582.db2.gz GUCDAYXAELQUPN-FEPMCFLQSA-N 1 3 343.943 2.934 20 0 EFADHO C[NH+](C)CCCC(=O)NC[C@@H]1CCN1[C@@H]1CCCc2ccccc21 ZINC001499048283 1402443266 /nfs/dbraw/zinc/44/32/66/1402443266.db2.gz OKXLSFYDKLZBHQ-PKOBYXMFSA-N 1 3 329.488 2.596 20 0 EFADHO CCCN(C)CC(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C(C)(C)C ZINC001508041010 1407258618 /nfs/dbraw/zinc/25/86/18/1407258618.db2.gz YOWFBFGGDXHSGI-KRWDZBQOSA-N 1 3 337.483 2.788 20 0 EFADHO CC[C@H](C(=O)NCC1([NH2+]CC[C@H]2CCc3ccccc32)CC1)N(C)C ZINC001499263553 1402542630 /nfs/dbraw/zinc/54/26/30/1402542630.db2.gz IKUFYESCVMWSCO-IEBWSBKVSA-N 1 3 343.515 2.685 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC001499616964 1402721716 /nfs/dbraw/zinc/72/17/16/1402721716.db2.gz VKHQYFAJJWTFSC-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CCCN(C)CC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(C)cc3)C2)C1 ZINC001499616964 1402721721 /nfs/dbraw/zinc/72/17/21/1402721721.db2.gz VKHQYFAJJWTFSC-NRFANRHFSA-N 1 3 343.515 2.761 20 0 EFADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@@H]1C ZINC001499851787 1402818997 /nfs/dbraw/zinc/81/89/97/1402818997.db2.gz BFNBVKJDMKGBCI-HPCSDQSLSA-N 1 3 336.307 2.616 20 0 EFADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NC/C(Cl)=C/Cl)C[C@@H]1C ZINC001499851787 1402819002 /nfs/dbraw/zinc/81/90/02/1402819002.db2.gz BFNBVKJDMKGBCI-HPCSDQSLSA-N 1 3 336.307 2.616 20 0 EFADHO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(F)c1 ZINC001501621385 1403649739 /nfs/dbraw/zinc/64/97/39/1403649739.db2.gz BJOAWLVLQYKHRT-GJZGRUSLSA-N 1 3 344.434 2.681 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001501622065 1403650430 /nfs/dbraw/zinc/65/04/30/1403650430.db2.gz PCPPEYFIOJUUBO-SJORKVTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001501622062 1403650708 /nfs/dbraw/zinc/65/07/08/1403650708.db2.gz PCPPEYFIOJUUBO-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001502741859 1404319723 /nfs/dbraw/zinc/31/97/23/1404319723.db2.gz MMTHPRDQPGVCLG-MJGOQNOKSA-N 1 3 345.531 2.909 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001502936441 1404438492 /nfs/dbraw/zinc/43/84/92/1404438492.db2.gz YLOSPTQSBRYWKI-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C)c1 ZINC001502936441 1404438496 /nfs/dbraw/zinc/43/84/96/1404438496.db2.gz YLOSPTQSBRYWKI-IEBWSBKVSA-N 1 3 343.515 2.948 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CCc1cccs1 ZINC001505458999 1404675300 /nfs/dbraw/zinc/67/53/00/1404675300.db2.gz IALQFBZBFJETIA-MRXNPFEDSA-N 1 3 337.533 2.555 20 0 EFADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCc1cccs1 ZINC001505458999 1404675313 /nfs/dbraw/zinc/67/53/13/1404675313.db2.gz IALQFBZBFJETIA-MRXNPFEDSA-N 1 3 337.533 2.555 20 0 EFADHO CN(C)C1(C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccccc2F)CCC1 ZINC001505816344 1405104521 /nfs/dbraw/zinc/10/45/21/1405104521.db2.gz NCDANEUUYDIMGP-UHFFFAOYSA-N 1 3 349.494 2.884 20 0 EFADHO C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)Cc1cc2ccccc2o1 ZINC001505990526 1405313901 /nfs/dbraw/zinc/31/39/01/1405313901.db2.gz GGJRAXUMAPMYHV-HNNXBMFYSA-N 1 3 331.460 2.711 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)[C@H]2C1 ZINC001550670298 1413693884 /nfs/dbraw/zinc/69/38/84/1413693884.db2.gz NNATWUPJVLEJER-NEWSRXKRSA-N 1 3 348.535 2.519 20 0 EFADHO CN1CC[C@@H]2CCN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)[C@H]2C1 ZINC001551200412 1413946896 /nfs/dbraw/zinc/94/68/96/1413946896.db2.gz YILMWLIHEFHQMC-BHASAWDCSA-N 1 3 348.535 2.519 20 0 EFADHO CCc1nn(C)c(CC)c1C[NH2+]C1CCC(C)(N2CCOCC2)CC1 ZINC001551238139 1413969816 /nfs/dbraw/zinc/96/98/16/1413969816.db2.gz LHEOZNKYSSLZSB-UHFFFAOYSA-N 1 3 348.535 2.668 20 0 EFADHO Cc1ccc2oc(=O)n(CN3C[C@@H]4CC[C@H]([NH+](C)C)C[C@@H]4C3)c2c1 ZINC001551380688 1414049361 /nfs/dbraw/zinc/04/93/61/1414049361.db2.gz DWFXOGJVQCSKCK-XHSDSOJGSA-N 1 3 329.444 2.523 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c1 ZINC001551387659 1414054077 /nfs/dbraw/zinc/05/40/77/1414054077.db2.gz OUXKQZBXVCVCJS-LNLFQRSKSA-N 1 3 344.503 2.942 20 0 EFADHO CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c1 ZINC001551387660 1414054129 /nfs/dbraw/zinc/05/41/29/1414054129.db2.gz OUXKQZBXVCVCJS-SCTDSRPQSA-N 1 3 344.503 2.942 20 0 EFADHO CC1(C)[C@H]([NH2+]C2CCC(C)(N3CCOCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC001551392174 1414057830 /nfs/dbraw/zinc/05/78/30/1414057830.db2.gz SLKJXUDWAJEIFC-VVJOJPPRSA-N 1 3 336.520 2.813 20 0 EFADHO CC(C)n1cc([C@H](C)NC2CCC(C)([NH+]3CCOCC3)CC2)nn1 ZINC001551393644 1414058902 /nfs/dbraw/zinc/05/89/02/1414058902.db2.gz AIBSOKMDMVOOSD-HJOIGYKYSA-N 1 3 335.496 2.543 20 0 EFADHO C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1cnn2c1CCCC2 ZINC001551398704 1414061512 /nfs/dbraw/zinc/06/15/12/1414061512.db2.gz JEPUHTSSJBDJCX-ZRZPHAQCSA-N 1 3 346.519 2.904 20 0 EFADHO C[N@@H+]1C[C@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@@H]2C1 ZINC001552135979 1414348946 /nfs/dbraw/zinc/34/89/46/1414348946.db2.gz GKBDJVAHXIQGNG-WOJBJXKFSA-N 1 3 341.499 2.839 20 0 EFADHO C[N@H+]1C[C@H]2CCCN(C(=O)c3cccc(CN4CCCCC4)c3)[C@@H]2C1 ZINC001552135979 1414348950 /nfs/dbraw/zinc/34/89/50/1414348950.db2.gz GKBDJVAHXIQGNG-WOJBJXKFSA-N 1 3 341.499 2.839 20 0 EFADHO C[NH+](C)[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC001552228961 1414380889 /nfs/dbraw/zinc/38/08/89/1414380889.db2.gz WUNKWNCQLRXEAE-OALUTQOASA-N 1 3 329.488 2.885 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552297805 1414410553 /nfs/dbraw/zinc/41/05/53/1414410553.db2.gz VCNJYBJEJPVHHR-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO CC1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC001552297805 1414410556 /nfs/dbraw/zinc/41/05/56/1414410556.db2.gz VCNJYBJEJPVHHR-MOPGFXCFSA-N 1 3 329.488 2.528 20 0 EFADHO CC(C)CN1CCC([NH2+]C[C@H]2CCCO[C@H]2c2nccn2C)CC1 ZINC001552376535 1414443391 /nfs/dbraw/zinc/44/33/91/1414443391.db2.gz UIRJZGUBIXGYOR-SJLPKXTDSA-N 1 3 334.508 2.598 20 0 EFADHO CC(C)N1CCCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001552844613 1414582689 /nfs/dbraw/zinc/58/26/89/1414582689.db2.gz LUFMEUMCMFSGHX-QZTJIDSGSA-N 1 3 349.906 2.586 20 0 EFADHO O=C(C[C@H]1NCc2ccccc21)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001552922534 1414605223 /nfs/dbraw/zinc/60/52/23/1414605223.db2.gz JIWKDQVNHVVVFL-SJLPKXTDSA-N 1 3 327.472 2.792 20 0 EFADHO CC1(C)C[NH2+]CC[C@H](N[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1 ZINC001553292170 1414762844 /nfs/dbraw/zinc/76/28/44/1414762844.db2.gz TYRWDLKJWUDOCS-KBPBESRZSA-N 1 3 349.441 2.688 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H](C)c1ccc(F)cc1)N(C)C ZINC001566510486 1415600347 /nfs/dbraw/zinc/60/03/47/1415600347.db2.gz FRLZESJSOAJCAZ-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1)N(C)C ZINC001566510486 1415600350 /nfs/dbraw/zinc/60/03/50/1415600350.db2.gz FRLZESJSOAJCAZ-CRAIPNDOSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1)N(C)C ZINC001566510487 1415600606 /nfs/dbraw/zinc/60/06/06/1415600606.db2.gz FRLZESJSOAJCAZ-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)N(C)C ZINC001566510487 1415600610 /nfs/dbraw/zinc/60/06/10/1415600610.db2.gz FRLZESJSOAJCAZ-MAUKXSAKSA-N 1 3 337.483 2.911 20 0 EFADHO CC(C)N1CCN(CCC[NH+]2CCC(Nc3ccccc3)CC2)CC1 ZINC001645761091 1416552948 /nfs/dbraw/zinc/55/29/48/1416552948.db2.gz XWZYSQOOKXSXNU-UHFFFAOYSA-N 1 3 344.547 2.979 20 0 EFADHO C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001645877284 1416578468 /nfs/dbraw/zinc/57/84/68/1416578468.db2.gz FJDXGQZVTGDEJO-OAHLLOKOSA-N 1 3 349.906 2.810 20 0 EFADHO Cc1cc(C)nc(CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC001646314006 1416646661 /nfs/dbraw/zinc/64/66/61/1416646661.db2.gz GZADRKJXSQZEAD-UHFFFAOYSA-N 1 3 330.520 2.548 20 0 EFADHO COc1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495739 1416793003 /nfs/dbraw/zinc/79/30/03/1416793003.db2.gz IXONTKJDKZXRKF-UHFFFAOYSA-N 1 3 340.467 2.942 20 0 EFADHO C[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CN1CCCCC1 ZINC000125577429 1417166014 /nfs/dbraw/zinc/16/60/14/1417166014.db2.gz HJMKRNGWEKTKFF-INIZCTEOSA-N 1 3 333.476 2.596 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001700079175 1417556107 /nfs/dbraw/zinc/55/61/07/1417556107.db2.gz MMKWMFCLXKUCDZ-QUCCMNQESA-N 1 3 345.531 2.972 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144291 712932834 /nfs/dbraw/zinc/93/28/34/712932834.db2.gz IUUURIABMVBICX-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144291 712932835 /nfs/dbraw/zinc/93/28/35/712932835.db2.gz IUUURIABMVBICX-PKOBYXMFSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144290 712932965 /nfs/dbraw/zinc/93/29/65/712932965.db2.gz IUUURIABMVBICX-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCCCN2Cc2ccc(F)cc2)C1 ZINC000969144290 712932968 /nfs/dbraw/zinc/93/29/68/712932968.db2.gz IUUURIABMVBICX-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cs1 ZINC000969144749 712933896 /nfs/dbraw/zinc/93/38/96/712933896.db2.gz SISSNBHBUILICV-ZWKOTPCHSA-N 1 3 349.544 2.869 20 0 EFADHO Cc1cc(CN2CCCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cs1 ZINC000969144749 712933897 /nfs/dbraw/zinc/93/38/97/712933897.db2.gz SISSNBHBUILICV-ZWKOTPCHSA-N 1 3 349.544 2.869 20 0 EFADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144680 712934050 /nfs/dbraw/zinc/93/40/50/712934050.db2.gz QTGOPKUOXMXDPP-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCCCCN2Cc2cccc(F)c2)C1 ZINC000969144680 712934052 /nfs/dbraw/zinc/93/40/52/712934052.db2.gz QTGOPKUOXMXDPP-HKUYNNGSSA-N 1 3 347.478 2.638 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969169835 712950840 /nfs/dbraw/zinc/95/08/40/712950840.db2.gz IRLBRIRLSNUKJD-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2F)C1 ZINC000969169835 712950841 /nfs/dbraw/zinc/95/08/41/712950841.db2.gz IRLBRIRLSNUKJD-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)c1cccc(Cl)c1 ZINC000969588697 713179103 /nfs/dbraw/zinc/17/91/03/713179103.db2.gz QXPCFXNMFIYPLU-IAOVAPTHSA-N 1 3 335.879 2.686 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000969652022 713204838 /nfs/dbraw/zinc/20/48/38/713204838.db2.gz CWWLDZXNVSFJRZ-YLJYHZDGSA-N 1 3 343.515 2.538 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC000969654510 713206332 /nfs/dbraw/zinc/20/63/32/713206332.db2.gz QNNMNEVBXNZFBK-QAPCUYQASA-N 1 3 335.536 2.732 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969705373 713224219 /nfs/dbraw/zinc/22/42/19/713224219.db2.gz WVYNZYTWVRYMKY-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccccc1CN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969705373 713224223 /nfs/dbraw/zinc/22/42/23/713224223.db2.gz WVYNZYTWVRYMKY-JXXFODFXSA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969705376 713224247 /nfs/dbraw/zinc/22/42/47/713224247.db2.gz WVYNZYTWVRYMKY-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO CCc1ccccc1CN1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969705376 713224248 /nfs/dbraw/zinc/22/42/48/713224248.db2.gz WVYNZYTWVRYMKY-RZQQEMMASA-N 1 3 343.515 2.526 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000969721717 713232871 /nfs/dbraw/zinc/23/28/71/713232871.db2.gz JOGDDSKWGOIOSC-XYJFISCASA-N 1 3 347.478 2.555 20 0 EFADHO Cc1ccc(F)c(CN[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000969721717 713232873 /nfs/dbraw/zinc/23/28/73/713232873.db2.gz JOGDDSKWGOIOSC-XYJFISCASA-N 1 3 347.478 2.555 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC000969723404 713235901 /nfs/dbraw/zinc/23/59/01/713235901.db2.gz YIZDOBSBLBMUBD-LUKYLMHMSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC000969723404 713235904 /nfs/dbraw/zinc/23/59/04/713235904.db2.gz YIZDOBSBLBMUBD-LUKYLMHMSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC000969723405 713235932 /nfs/dbraw/zinc/23/59/32/713235932.db2.gz YIZDOBSBLBMUBD-VVLHAWIVSA-N 1 3 347.478 2.808 20 0 EFADHO C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1)c1ccccc1F ZINC000969723405 713235933 /nfs/dbraw/zinc/23/59/33/713235933.db2.gz YIZDOBSBLBMUBD-VVLHAWIVSA-N 1 3 347.478 2.808 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792757 713263767 /nfs/dbraw/zinc/26/37/67/713263767.db2.gz KPRWHERINCOXNS-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792757 713263768 /nfs/dbraw/zinc/26/37/68/713263768.db2.gz KPRWHERINCOXNS-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792758 713263786 /nfs/dbraw/zinc/26/37/86/713263786.db2.gz KPRWHERINCOXNS-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2cccc(C)c2)C1 ZINC000969792758 713263788 /nfs/dbraw/zinc/26/37/88/713263788.db2.gz KPRWHERINCOXNS-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO CCCN1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCCC2)C1 ZINC000969793476 713264002 /nfs/dbraw/zinc/26/40/02/713264002.db2.gz PMBXTXMGYDVHRF-LPHOPBHVSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799152 713265044 /nfs/dbraw/zinc/26/50/44/713265044.db2.gz UVPXRUNQZLZOFZ-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CN(Cc2ccc(C)cc2)C1 ZINC000969799152 713265045 /nfs/dbraw/zinc/26/50/45/713265045.db2.gz UVPXRUNQZLZOFZ-FXAWDEMLSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001020587591 713266673 /nfs/dbraw/zinc/26/66/73/713266673.db2.gz MQOJYFWKFYROAL-DEXNDLTESA-N 1 3 345.462 2.534 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588483 713266851 /nfs/dbraw/zinc/26/68/51/713266851.db2.gz CKIIMBQYTPKWBE-DKIMLUQUSA-N 1 3 329.488 2.635 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001020588738 713267068 /nfs/dbraw/zinc/26/70/68/713267068.db2.gz KXPVBEVMBILDKI-KBAYOESNSA-N 1 3 335.536 2.781 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001020586450 713267362 /nfs/dbraw/zinc/26/73/62/713267362.db2.gz ONWSWXDKGQARMJ-OWYHZJEWSA-N 1 3 329.488 2.859 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccccc1 ZINC001020586449 713267373 /nfs/dbraw/zinc/26/73/73/713267373.db2.gz ONWSWXDKGQARMJ-NXWXRZEISA-N 1 3 329.488 2.859 20 0 EFADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001020586687 713267641 /nfs/dbraw/zinc/26/76/41/713267641.db2.gz VYGIISVFWOZIHN-FZKCQIBNSA-N 1 3 343.462 2.533 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001020591023 713268584 /nfs/dbraw/zinc/26/85/84/713268584.db2.gz BBYKAVWVSNCACG-WGSAOQKQSA-N 1 3 343.515 2.718 20 0 EFADHO C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1)c1ccc(F)cc1 ZINC001020591094 713269651 /nfs/dbraw/zinc/26/96/51/713269651.db2.gz DITMCEWAROBKPQ-WBAXXEDZSA-N 1 3 347.478 2.855 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001020591242 713269817 /nfs/dbraw/zinc/26/98/17/713269817.db2.gz IHNQIJZJMGKWQN-IYARVYRRSA-N 1 3 335.536 2.926 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834310 713275942 /nfs/dbraw/zinc/27/59/42/713275942.db2.gz WTTTYTXRHZFQIC-HKUYNNGSSA-N 1 3 347.547 2.901 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H](C)C2CN(CC3=CCCCC3)C2)C1 ZINC000969834310 713275944 /nfs/dbraw/zinc/27/59/44/713275944.db2.gz WTTTYTXRHZFQIC-HKUYNNGSSA-N 1 3 347.547 2.901 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000969950015 713320580 /nfs/dbraw/zinc/32/05/80/713320580.db2.gz DJIANOFECMEPIY-CRAIPNDOSA-N 1 3 349.906 2.557 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c(C)c1 ZINC000969954179 713321369 /nfs/dbraw/zinc/32/13/69/713321369.db2.gz AVNKDLOKVOJZIK-DNVCBOLYSA-N 1 3 343.515 2.644 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C3CC3)C2)C1 ZINC000969955609 713323750 /nfs/dbraw/zinc/32/37/50/713323750.db2.gz QIXRHDNODIWDNE-VQIMIIECSA-N 1 3 341.499 2.596 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC000969965723 713324954 /nfs/dbraw/zinc/32/49/54/713324954.db2.gz VHWSVXJDUMIFMU-IEBWSBKVSA-N 1 3 341.499 2.596 20 0 EFADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CC3CCCCCC3)C2)C1 ZINC000969965467 713325058 /nfs/dbraw/zinc/32/50/58/713325058.db2.gz OHMNYHITEPEQEQ-GOSISDBHSA-N 1 3 335.536 2.879 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)C1)N(C)C ZINC000969985075 713334271 /nfs/dbraw/zinc/33/42/71/713334271.db2.gz BHOUGQPNCGWUEJ-QEORTHHSSA-N 1 3 339.430 2.557 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1)N(C)C ZINC000969985955 713334682 /nfs/dbraw/zinc/33/46/82/713334682.db2.gz PFBDEWRBMTWNME-NEWSRXKRSA-N 1 3 347.478 2.734 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001020675942 713345616 /nfs/dbraw/zinc/34/56/16/713345616.db2.gz LPAGXUMURKLLIH-GUDVDZBRSA-N 1 3 347.478 2.825 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001020675961 713345672 /nfs/dbraw/zinc/34/56/72/713345672.db2.gz MRNRSHLJBKEKKB-FHWLQOOXSA-N 1 3 347.478 2.825 20 0 EFADHO Cc1ccc(F)c(CN[C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)c1 ZINC001020679129 713350808 /nfs/dbraw/zinc/35/08/08/713350808.db2.gz GVQCPCNYAXTBQZ-IYARVYRRSA-N 1 3 347.478 2.603 20 0 EFADHO C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CN([C@@H](C)c2ccccc2)C1 ZINC000970049983 713360377 /nfs/dbraw/zinc/36/03/77/713360377.db2.gz JKRKKSQFNIMLTG-SJORKVTESA-N 1 3 341.499 2.813 20 0 EFADHO Cc1ccccc1CN1CC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000970051912 713361981 /nfs/dbraw/zinc/36/19/81/713361981.db2.gz UUEBEXPGBZJBRE-KRWDZBQOSA-N 1 3 341.499 2.560 20 0 EFADHO CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1)c1ccc(F)cc1 ZINC001020982163 713467250 /nfs/dbraw/zinc/46/72/50/713467250.db2.gz ZOMILNQGSNINLD-ULQDDVLXSA-N 1 3 344.434 2.788 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001027894521 717905810 /nfs/dbraw/zinc/90/58/10/717905810.db2.gz NCDALUOFUKKCLI-ZTFGCOKTSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1cc(CN2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001027894521 717905822 /nfs/dbraw/zinc/90/58/22/717905822.db2.gz NCDALUOFUKKCLI-ZTFGCOKTSA-N 1 3 349.544 2.786 20 0 EFADHO Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)cc1 ZINC001021087705 713560821 /nfs/dbraw/zinc/56/08/21/713560821.db2.gz GNZDWEYSDRKNFH-YOQCTACHSA-N 1 3 329.488 2.605 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001021090021 713561984 /nfs/dbraw/zinc/56/19/84/713561984.db2.gz DYRLOIIHDGGSAG-XNFNUYLZSA-N 1 3 343.515 2.859 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)C1 ZINC001021090209 713562489 /nfs/dbraw/zinc/56/24/89/713562489.db2.gz FSXVAAPPMCXEDI-PSBWJHGTSA-N 1 3 329.488 2.605 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001021090190 713562555 /nfs/dbraw/zinc/56/25/55/713562555.db2.gz FPKYKUDCWBBWHK-ZNZJMJLKSA-N 1 3 347.478 2.766 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)C1 ZINC001021090208 713562610 /nfs/dbraw/zinc/56/26/10/713562610.db2.gz FSXVAAPPMCXEDI-CAMMJAKZSA-N 1 3 329.488 2.605 20 0 EFADHO Cc1ccc(CC[NH2+][C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)cc1 ZINC001021091906 713563239 /nfs/dbraw/zinc/56/32/39/713563239.db2.gz ZLBOEXBCVDNYEK-HNBVOPMISA-N 1 3 343.515 2.647 20 0 EFADHO CCc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCCN3CC)C2)cc1 ZINC001021094366 713564437 /nfs/dbraw/zinc/56/44/37/713564437.db2.gz OTLNZBANQQXWLA-UFYCRDLUSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001021096377 713575042 /nfs/dbraw/zinc/57/50/42/713575042.db2.gz PZEHZOHOMFQAMH-LKIAZTKLSA-N 1 3 335.536 2.924 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325385 713635550 /nfs/dbraw/zinc/63/55/50/713635550.db2.gz DYYCCHRORRTUKP-QAPCUYQASA-N 1 3 339.499 2.580 20 0 EFADHO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CN(CCCF)C1 ZINC000970325385 713635553 /nfs/dbraw/zinc/63/55/53/713635553.db2.gz DYYCCHRORRTUKP-QAPCUYQASA-N 1 3 339.499 2.580 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC000970335104 713643845 /nfs/dbraw/zinc/64/38/45/713643845.db2.gz NQTWETILLGKRQA-LJQANCHMSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c(C)s1 ZINC000970334345 713643998 /nfs/dbraw/zinc/64/39/98/713643998.db2.gz HMTWQAQAIBRPIC-GOSISDBHSA-N 1 3 349.544 2.787 20 0 EFADHO CCc1cccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)CC3)C2)c1 ZINC000970335523 713644682 /nfs/dbraw/zinc/64/46/82/713644682.db2.gz QIXXAWZEKDYXPI-HXUWFJFHSA-N 1 3 343.515 2.671 20 0 EFADHO CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039164479 713653119 /nfs/dbraw/zinc/65/31/19/713653119.db2.gz GOWQBMMSJNNZMQ-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC001039164479 713653120 /nfs/dbraw/zinc/65/31/20/713653120.db2.gz GOWQBMMSJNNZMQ-LJQANCHMSA-N 1 3 335.536 2.687 20 0 EFADHO O=C(C1CC[NH+](CC2CC2)CC1)N1CC[C@@H](NCc2ccsc2)C1 ZINC000970451748 713719898 /nfs/dbraw/zinc/71/98/98/713719898.db2.gz UOLBUYCFEGPFGM-GOSISDBHSA-N 1 3 347.528 2.561 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021274343 713726213 /nfs/dbraw/zinc/72/62/13/713726213.db2.gz SXTGACBJSVHNSV-XLNWEVDSSA-N 1 3 339.911 2.725 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001021274343 713726214 /nfs/dbraw/zinc/72/62/14/713726214.db2.gz SXTGACBJSVHNSV-XLNWEVDSSA-N 1 3 339.911 2.725 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000970483956 713744127 /nfs/dbraw/zinc/74/41/27/713744127.db2.gz NPFWMPKTGZEFDG-HZPDHXFCSA-N 1 3 349.906 2.681 20 0 EFADHO Cc1cccc(Cl)c1CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000970483956 713744130 /nfs/dbraw/zinc/74/41/30/713744130.db2.gz NPFWMPKTGZEFDG-HZPDHXFCSA-N 1 3 349.906 2.681 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000970527905 713779995 /nfs/dbraw/zinc/77/99/95/713779995.db2.gz AOALZRXVXBMFNJ-QFBILLFUSA-N 1 3 335.536 2.876 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)CC[N@@H+]1C ZINC001021360657 713830584 /nfs/dbraw/zinc/83/05/84/713830584.db2.gz UFQYZPKQLYNPAY-DWCYQXEGSA-N 1 3 339.911 2.581 20 0 EFADHO C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3C/C=C/Cl)CC[N@H+]1C ZINC001021360657 713830588 /nfs/dbraw/zinc/83/05/88/713830588.db2.gz UFQYZPKQLYNPAY-DWCYQXEGSA-N 1 3 339.911 2.581 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2=CCCCC2)C1 ZINC001021380734 713852660 /nfs/dbraw/zinc/85/26/60/713852660.db2.gz SCWXNLSLPFFCKY-OHSMVPPVSA-N 1 3 345.531 2.940 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2=CCCCC2)C1 ZINC001021380734 713852663 /nfs/dbraw/zinc/85/26/63/713852663.db2.gz SCWXNLSLPFFCKY-OHSMVPPVSA-N 1 3 345.531 2.940 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021469846 713951026 /nfs/dbraw/zinc/95/10/26/713951026.db2.gz ONSJBDRLDQYABO-YQQQUEKLSA-N 1 3 341.499 2.883 20 0 EFADHO CN(C)Cc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021469846 713951027 /nfs/dbraw/zinc/95/10/27/713951027.db2.gz ONSJBDRLDQYABO-YQQQUEKLSA-N 1 3 341.499 2.883 20 0 EFADHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000970800425 714009062 /nfs/dbraw/zinc/00/90/62/714009062.db2.gz OBPSSVOFEBEHGH-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](NCc2cc(C)ccc2F)C1 ZINC000970800425 714009066 /nfs/dbraw/zinc/00/90/66/714009066.db2.gz OBPSSVOFEBEHGH-IEBWSBKVSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876513 714093673 /nfs/dbraw/zinc/09/36/73/714093673.db2.gz GUQJFIWWMMMBPU-AEFFLSMTSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)c1ccccc1CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970876513 714093677 /nfs/dbraw/zinc/09/36/77/714093677.db2.gz GUQJFIWWMMMBPU-AEFFLSMTSA-N 1 3 343.515 2.698 20 0 EFADHO CC(C)=CCN1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000970918851 714134302 /nfs/dbraw/zinc/13/43/02/714134302.db2.gz YXUYHJXXEWKPAE-MRXNPFEDSA-N 1 3 329.488 2.765 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCc2ccccc2)C1 ZINC000970930046 714145655 /nfs/dbraw/zinc/14/56/55/714145655.db2.gz VXWWTLDMCKFTEV-YLJYHZDGSA-N 1 3 343.515 2.540 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604367 714165168 /nfs/dbraw/zinc/16/51/68/714165168.db2.gz CJHKOHKGGLCEMR-HKUYNNGSSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604367 714165172 /nfs/dbraw/zinc/16/51/72/714165172.db2.gz CJHKOHKGGLCEMR-HKUYNNGSSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604368 714165304 /nfs/dbraw/zinc/16/53/04/714165304.db2.gz CJHKOHKGGLCEMR-IEBWSBKVSA-N 1 3 333.520 2.750 20 0 EFADHO CC(C)=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)C2CCC2)C1 ZINC001021604368 714165306 /nfs/dbraw/zinc/16/53/06/714165306.db2.gz CJHKOHKGGLCEMR-IEBWSBKVSA-N 1 3 333.520 2.750 20 0 EFADHO CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980247606 717960413 /nfs/dbraw/zinc/96/04/13/717960413.db2.gz RNMIOWKKLRUISP-FHWLQOOXSA-N 1 3 329.488 2.598 20 0 EFADHO CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(CN(C)C)c3)C[C@H]2C1 ZINC000980247606 717960415 /nfs/dbraw/zinc/96/04/15/717960415.db2.gz RNMIOWKKLRUISP-FHWLQOOXSA-N 1 3 329.488 2.598 20 0 EFADHO CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671578 714275049 /nfs/dbraw/zinc/27/50/49/714275049.db2.gz SYOBFBNLSQSLBO-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN2CCC(C)(C)C2)C1 ZINC001021671578 714275051 /nfs/dbraw/zinc/27/50/51/714275051.db2.gz SYOBFBNLSQSLBO-QZTJIDSGSA-N 1 3 335.536 2.831 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001021676840 714285147 /nfs/dbraw/zinc/28/51/47/714285147.db2.gz FGBMMSQSHCRSSK-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC001021676840 714285151 /nfs/dbraw/zinc/28/51/51/714285151.db2.gz FGBMMSQSHCRSSK-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@H+](CC3=CCCCC3)CC[C@H]21 ZINC001021676980 714285731 /nfs/dbraw/zinc/28/57/31/714285731.db2.gz FTSJLCIUYXBHHH-IEBWSBKVSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]2C[N@@H+](CC3=CCCCC3)CC[C@H]21 ZINC001021676980 714285733 /nfs/dbraw/zinc/28/57/33/714285733.db2.gz FTSJLCIUYXBHHH-IEBWSBKVSA-N 1 3 342.487 2.766 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001021676631 714287022 /nfs/dbraw/zinc/28/70/22/714287022.db2.gz DAAUNPNMGAAJSP-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]21 ZINC001021676631 714287023 /nfs/dbraw/zinc/28/70/23/714287023.db2.gz DAAUNPNMGAAJSP-HKUYNNGSSA-N 1 3 344.503 2.845 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CCF)C[C@@H]3C2)c1 ZINC000980242666 717972695 /nfs/dbraw/zinc/97/26/95/717972695.db2.gz MJEFMYGXFHSDTQ-GBESFXJTSA-N 1 3 347.478 2.548 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCF)C[C@@H]3C2)c1 ZINC000980242666 717972697 /nfs/dbraw/zinc/97/26/97/717972697.db2.gz MJEFMYGXFHSDTQ-GBESFXJTSA-N 1 3 347.478 2.548 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200564 714460674 /nfs/dbraw/zinc/46/06/74/714460674.db2.gz HQQVXXZVNSRGTG-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1 ZINC000971200564 714460675 /nfs/dbraw/zinc/46/06/75/714460675.db2.gz HQQVXXZVNSRGTG-ZWKOTPCHSA-N 1 3 333.520 2.584 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CCCCCC2)C1 ZINC000971200154 714460946 /nfs/dbraw/zinc/46/09/46/714460946.db2.gz DRZHUVPUIGBKCF-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1 ZINC000971200154 714460947 /nfs/dbraw/zinc/46/09/47/714460947.db2.gz DRZHUVPUIGBKCF-RTBURBONSA-N 1 3 335.536 2.974 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200265 714461217 /nfs/dbraw/zinc/46/12/17/714461217.db2.gz GAWFBBQSHGOVTR-UXHICEINSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200265 714461218 /nfs/dbraw/zinc/46/12/18/714461218.db2.gz GAWFBBQSHGOVTR-UXHICEINSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200263 714461289 /nfs/dbraw/zinc/46/12/89/714461289.db2.gz GAWFBBQSHGOVTR-PMACEKPBSA-N 1 3 341.499 2.691 20 0 EFADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C3CC3)cc2)C1 ZINC000971200263 714461290 /nfs/dbraw/zinc/46/12/90/714461290.db2.gz GAWFBBQSHGOVTR-PMACEKPBSA-N 1 3 341.499 2.691 20 0 EFADHO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203149 714463104 /nfs/dbraw/zinc/46/31/04/714463104.db2.gz DHAMNKCOTZGCRA-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1 ZINC000971203149 714463105 /nfs/dbraw/zinc/46/31/05/714463105.db2.gz DHAMNKCOTZGCRA-UXHICEINSA-N 1 3 343.515 2.937 20 0 EFADHO CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C)C1 ZINC000891393449 714602616 /nfs/dbraw/zinc/60/26/16/714602616.db2.gz GNUIKKHDMQGVDH-OALUTQOASA-N 1 3 344.503 2.559 20 0 EFADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000891403245 714624410 /nfs/dbraw/zinc/62/44/10/714624410.db2.gz KPZBITQJPWGKDS-QXAKKESOSA-N 1 3 344.503 2.591 20 0 EFADHO C[N@H+](CC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540448 714700127 /nfs/dbraw/zinc/70/01/27/714700127.db2.gz RSLDJXYKOULUDQ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[N@@H+](CC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC000971540448 714700129 /nfs/dbraw/zinc/70/01/29/714700129.db2.gz RSLDJXYKOULUDQ-GOSISDBHSA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@@H+]1C ZINC000971560302 714707765 /nfs/dbraw/zinc/70/77/65/714707765.db2.gz DQTUOKDUKGUHCB-AYOQOUSVSA-N 1 3 347.478 2.529 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3ccc(CF)cc3)C2)CC[N@H+]1C ZINC000971560302 714707766 /nfs/dbraw/zinc/70/77/66/714707766.db2.gz DQTUOKDUKGUHCB-AYOQOUSVSA-N 1 3 347.478 2.529 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000971561243 714708100 /nfs/dbraw/zinc/70/81/00/714708100.db2.gz UJXRWOQNUQVNHE-ZTFGCOKTSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC000971561243 714708101 /nfs/dbraw/zinc/70/81/01/714708101.db2.gz UJXRWOQNUQVNHE-ZTFGCOKTSA-N 1 3 349.544 2.738 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001022070010 714719817 /nfs/dbraw/zinc/71/98/17/714719817.db2.gz QFRWQCIWWPEJKB-WCVJEAGWSA-N 1 3 343.462 2.531 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccccc3F)C2)CC[N@@H+]1C ZINC001022107520 714752846 /nfs/dbraw/zinc/75/28/46/714752846.db2.gz YGVBGXOOTUXQEH-DHBZOUTCSA-N 1 3 347.478 2.854 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](N[C@H](C)c3ccccc3F)C2)CC[N@H+]1C ZINC001022107520 714752847 /nfs/dbraw/zinc/75/28/47/714752847.db2.gz YGVBGXOOTUXQEH-DHBZOUTCSA-N 1 3 347.478 2.854 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001022109886 714755170 /nfs/dbraw/zinc/75/51/70/714755170.db2.gz VPRRWTCFPZZNJK-UIBIWLFHSA-N 1 3 349.906 2.807 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC[N@H+]1C ZINC001022109886 714755171 /nfs/dbraw/zinc/75/51/71/714755171.db2.gz VPRRWTCFPZZNJK-UIBIWLFHSA-N 1 3 349.906 2.807 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@@H+]1Cc1ccsc1 ZINC000947725576 718001131 /nfs/dbraw/zinc/00/11/31/718001131.db2.gz AWPWGNYJVWDFNL-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO C[C@@H]1C[C@@H](NC(=O)CN2CCC(C)(C)C2)CC[N@H+]1Cc1ccsc1 ZINC000947725576 718001136 /nfs/dbraw/zinc/00/11/36/718001136.db2.gz AWPWGNYJVWDFNL-WBVHZDCISA-N 1 3 349.544 2.949 20 0 EFADHO COc1ccc(C(=O)C2CC[NH+](CC3CCN(C)CC3)CC2)cc1 ZINC000891547860 714814606 /nfs/dbraw/zinc/81/46/06/714814606.db2.gz ONFJLWFZWDBBBJ-UHFFFAOYSA-N 1 3 330.472 2.932 20 0 EFADHO CC(C)([NH3+])CCNC(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000891559302 714824197 /nfs/dbraw/zinc/82/41/97/714824197.db2.gz DMFCNKRFBRWKJS-KRWDZBQOSA-N 1 3 332.492 2.640 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675016 714871186 /nfs/dbraw/zinc/87/11/86/714871186.db2.gz WWYZZOGZSIPSQH-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971675016 714871191 /nfs/dbraw/zinc/87/11/91/714871191.db2.gz WWYZZOGZSIPSQH-GOSISDBHSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674377 714873466 /nfs/dbraw/zinc/87/34/66/714873466.db2.gz RHZMQBCRLFOIIL-QAPCUYQASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971674377 714873468 /nfs/dbraw/zinc/87/34/68/714873468.db2.gz RHZMQBCRLFOIIL-QAPCUYQASA-N 1 3 347.478 2.904 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675813 714873542 /nfs/dbraw/zinc/87/35/42/714873542.db2.gz BMDPJQKCYJYIKN-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000971675813 714873544 /nfs/dbraw/zinc/87/35/44/714873544.db2.gz BMDPJQKCYJYIKN-SFHVURJKSA-N 1 3 347.478 2.651 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677353 714874553 /nfs/dbraw/zinc/87/45/53/714874553.db2.gz JEMOUYDCRZLMQG-ZWKOTPCHSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)c(C)s1 ZINC000971677353 714874554 /nfs/dbraw/zinc/87/45/54/714874554.db2.gz JEMOUYDCRZLMQG-ZWKOTPCHSA-N 1 3 349.544 2.738 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971678538 714875334 /nfs/dbraw/zinc/87/53/34/714875334.db2.gz NVGIPWGEQPVKJL-LJQANCHMSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1 ZINC000971678538 714875337 /nfs/dbraw/zinc/87/53/37/714875337.db2.gz NVGIPWGEQPVKJL-LJQANCHMSA-N 1 3 343.515 2.555 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678553 714875425 /nfs/dbraw/zinc/87/54/25/714875425.db2.gz OAZMDYJRBAEHDT-AZUAARDMSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971678553 714875427 /nfs/dbraw/zinc/87/54/27/714875427.db2.gz OAZMDYJRBAEHDT-AZUAARDMSA-N 1 3 343.515 2.676 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000971679556 714877764 /nfs/dbraw/zinc/87/77/64/714877764.db2.gz UWJYSXCAEKMXJN-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000971679556 714877766 /nfs/dbraw/zinc/87/77/66/714877766.db2.gz UWJYSXCAEKMXJN-LJQANCHMSA-N 1 3 343.515 2.820 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681060 714879786 /nfs/dbraw/zinc/87/97/86/714879786.db2.gz BEAFYHREIZRRKN-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000971681060 714879788 /nfs/dbraw/zinc/87/97/88/714879788.db2.gz BEAFYHREIZRRKN-WOJBJXKFSA-N 1 3 343.515 2.622 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC000971687700 714882891 /nfs/dbraw/zinc/88/28/91/714882891.db2.gz ORKVADOGNIJMIM-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1)C1CCC1 ZINC000971687700 714882893 /nfs/dbraw/zinc/88/28/93/714882893.db2.gz ORKVADOGNIJMIM-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000971687945 714882947 /nfs/dbraw/zinc/88/29/47/714882947.db2.gz QRXLGORXVNUTFN-IBGZPJMESA-N 1 3 347.478 2.673 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CCC1 ZINC000971687945 714882950 /nfs/dbraw/zinc/88/29/50/714882950.db2.gz QRXLGORXVNUTFN-IBGZPJMESA-N 1 3 347.478 2.673 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684880 714884550 /nfs/dbraw/zinc/88/45/50/714884550.db2.gz JXVDHSZLGSXGGY-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1)C1CC1 ZINC000971684880 714884552 /nfs/dbraw/zinc/88/45/52/714884552.db2.gz JXVDHSZLGSXGGY-MOPGFXCFSA-N 1 3 335.536 2.830 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971685744 714885114 /nfs/dbraw/zinc/88/51/14/714885114.db2.gz OWMCBLHVTCZOOR-RTBURBONSA-N 1 3 347.478 2.507 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686013 714885362 /nfs/dbraw/zinc/88/53/62/714885362.db2.gz QHZWWUOYZYNUDH-RBUKOAKNSA-N 1 3 347.478 2.529 20 0 EFADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1)C1CC1 ZINC000971686013 714885363 /nfs/dbraw/zinc/88/53/63/714885363.db2.gz QHZWWUOYZYNUDH-RBUKOAKNSA-N 1 3 347.478 2.529 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC000971686269 714885943 /nfs/dbraw/zinc/88/59/43/714885943.db2.gz BOTLLSMXWRGODJ-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO CN(CC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC000971686269 714885945 /nfs/dbraw/zinc/88/59/45/714885945.db2.gz BOTLLSMXWRGODJ-IBGZPJMESA-N 1 3 333.520 2.894 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971686731 714886639 /nfs/dbraw/zinc/88/66/39/714886639.db2.gz FQKFHHFYMHPLRJ-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC000971686731 714886641 /nfs/dbraw/zinc/88/66/41/714886641.db2.gz FQKFHHFYMHPLRJ-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@H](c1ccccc1)[N@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687125 714887106 /nfs/dbraw/zinc/88/71/06/714887106.db2.gz JXOOFVVEXFBFNQ-APWZRJJASA-N 1 3 329.488 2.765 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000971687125 714887110 /nfs/dbraw/zinc/88/71/10/714887110.db2.gz JXOOFVVEXFBFNQ-APWZRJJASA-N 1 3 329.488 2.765 20 0 EFADHO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000891640029 714893290 /nfs/dbraw/zinc/89/32/90/714893290.db2.gz LWMWVJGOIMKXKD-LJQANCHMSA-N 1 3 346.519 2.764 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971714800 714903724 /nfs/dbraw/zinc/90/37/24/714903724.db2.gz XSMFSUURGJBQIT-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1ccc(F)cc1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971714800 714903728 /nfs/dbraw/zinc/90/37/28/714903728.db2.gz XSMFSUURGJBQIT-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000971715135 714904341 /nfs/dbraw/zinc/90/43/41/714904341.db2.gz DYYKMTJYDHZTEE-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO CN(Cc1cccc(F)c1)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000971715135 714904344 /nfs/dbraw/zinc/90/43/44/714904344.db2.gz DYYKMTJYDHZTEE-MOPGFXCFSA-N 1 3 347.478 2.733 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000971715162 714904490 /nfs/dbraw/zinc/90/44/90/714904490.db2.gz FYJKUNHIODJJDA-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000971715162 714904493 /nfs/dbraw/zinc/90/44/93/714904493.db2.gz FYJKUNHIODJJDA-ZWKOTPCHSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971729708 714919175 /nfs/dbraw/zinc/91/91/75/714919175.db2.gz MVLDVMJRWXZABD-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC000971729708 714919177 /nfs/dbraw/zinc/91/91/77/714919177.db2.gz MVLDVMJRWXZABD-MOPGFXCFSA-N 1 3 331.504 2.614 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971734856 714921002 /nfs/dbraw/zinc/92/10/02/714921002.db2.gz HJTLGYGMBRMHDC-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC000971734856 714921004 /nfs/dbraw/zinc/92/10/04/714921004.db2.gz HJTLGYGMBRMHDC-PMACEKPBSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000971737767 714922985 /nfs/dbraw/zinc/92/29/85/714922985.db2.gz ZPJVAKVDGDFIOS-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000971737767 714922986 /nfs/dbraw/zinc/92/29/86/714922986.db2.gz ZPJVAKVDGDFIOS-PMACEKPBSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000971737769 714923023 /nfs/dbraw/zinc/92/30/23/714923023.db2.gz ZPJVAKVDGDFIOS-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c(C)c1 ZINC000971737769 714923024 /nfs/dbraw/zinc/92/30/24/714923024.db2.gz ZPJVAKVDGDFIOS-UXHICEINSA-N 1 3 345.531 2.922 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000971777196 714950429 /nfs/dbraw/zinc/95/04/29/714950429.db2.gz BSSIIQLWLIXKHA-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC2CCC3(CC3)CC2)C1)N(C)C ZINC000971777196 714950432 /nfs/dbraw/zinc/95/04/32/714950432.db2.gz BSSIIQLWLIXKHA-ZWKOTPCHSA-N 1 3 335.536 2.830 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000971783616 714955476 /nfs/dbraw/zinc/95/54/76/714955476.db2.gz DIILZPSLFUZPCT-FUHWJXTLSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1)N(C)C ZINC000971783616 714955478 /nfs/dbraw/zinc/95/54/78/714955478.db2.gz DIILZPSLFUZPCT-FUHWJXTLSA-N 1 3 343.471 2.806 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000971779057 714957308 /nfs/dbraw/zinc/95/73/08/714957308.db2.gz QJXSTUBEPLSAOL-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1)N(C)C ZINC000971779057 714957309 /nfs/dbraw/zinc/95/73/09/714957309.db2.gz QJXSTUBEPLSAOL-AZUAARDMSA-N 1 3 343.515 2.937 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971784460 714957935 /nfs/dbraw/zinc/95/79/35/714957935.db2.gz JOUVVKAWJFPPCT-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000971784460 714957936 /nfs/dbraw/zinc/95/79/36/714957936.db2.gz JOUVVKAWJFPPCT-RTBURBONSA-N 1 3 331.504 2.622 20 0 EFADHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000891815892 715036029 /nfs/dbraw/zinc/03/60/29/715036029.db2.gz WXDWVTNCMZFZLL-IBGZPJMESA-N 1 3 346.519 2.762 20 0 EFADHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000891815892 715036031 /nfs/dbraw/zinc/03/60/31/715036031.db2.gz WXDWVTNCMZFZLL-IBGZPJMESA-N 1 3 346.519 2.762 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cs1 ZINC001027045335 715343447 /nfs/dbraw/zinc/34/34/47/715343447.db2.gz QZCXXPKQRMZYKK-DOTOQJQBSA-N 1 3 337.533 2.581 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@@H+]1C ZINC000974977268 715391517 /nfs/dbraw/zinc/39/15/17/715391517.db2.gz WZADRZHDKDAFMM-YTQUADARSA-N 1 3 343.515 2.744 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000974977268 715391523 /nfs/dbraw/zinc/39/15/23/715391523.db2.gz WZADRZHDKDAFMM-YTQUADARSA-N 1 3 343.515 2.744 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)c1 ZINC001022710432 715397626 /nfs/dbraw/zinc/39/76/26/715397626.db2.gz HQHNEZURXVHGMB-QRQLOZEOSA-N 1 3 329.488 2.525 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022712229 715408302 /nfs/dbraw/zinc/40/83/02/715408302.db2.gz MWQXXDPVDCUNTQ-XLAORIBOSA-N 1 3 329.488 2.777 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001022711823 715409748 /nfs/dbraw/zinc/40/97/48/715409748.db2.gz DPWRUFMMLJGMJJ-QXSJWSMHSA-N 1 3 343.462 2.533 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001027069373 715410264 /nfs/dbraw/zinc/41/02/64/715410264.db2.gz RRHIFZJZDBNQFK-MJGOQNOKSA-N 1 3 331.504 2.582 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC001022712556 715411625 /nfs/dbraw/zinc/41/16/25/715411625.db2.gz UAZUCYGHUZDUAJ-UPJWGTAASA-N 1 3 341.908 2.623 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1 ZINC001022712567 715411645 /nfs/dbraw/zinc/41/16/45/715411645.db2.gz UIZLHQBNMQDKKT-AHRSYUTCSA-N 1 3 343.515 2.860 20 0 EFADHO CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1)c1ccc(F)cc1 ZINC001022712637 715412229 /nfs/dbraw/zinc/41/22/29/715412229.db2.gz WADYIUQKPVELDP-DQEVTTJGSA-N 1 3 347.478 2.998 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CCC4(CC4)CC3)C2)C1 ZINC001022712865 715413767 /nfs/dbraw/zinc/41/37/67/715413767.db2.gz CEEJODPXKQRGIA-NXHRZFHOSA-N 1 3 333.520 2.535 20 0 EFADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC001022713560 715414779 /nfs/dbraw/zinc/41/47/79/715414779.db2.gz KNTHHVRICNWRGK-QKLQHJQFSA-N 1 3 347.478 2.636 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001022713583 715415950 /nfs/dbraw/zinc/41/59/50/715415950.db2.gz KXAGDLXOQLFRHJ-RWQQGDIJSA-N 1 3 329.488 2.635 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)c(C)s1 ZINC001027063786 715417235 /nfs/dbraw/zinc/41/72/35/715417235.db2.gz SAYZVXIXYWQFQE-YOEHRIQHSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001027063981 715417284 /nfs/dbraw/zinc/41/72/84/715417284.db2.gz WRWQTASQTAFLKH-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)c1 ZINC001027063955 715417634 /nfs/dbraw/zinc/41/76/34/715417634.db2.gz WCHQIUFJAQPXFC-IAGOWNOFSA-N 1 3 347.478 2.557 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001027064298 715418324 /nfs/dbraw/zinc/41/83/24/715418324.db2.gz BCWISXCQXQRCPS-UZLBHIALSA-N 1 3 343.515 2.583 20 0 EFADHO CCc1cccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027064522 715418478 /nfs/dbraw/zinc/41/84/78/715418478.db2.gz GKWDKFSYGBFPEU-YLJYHZDGSA-N 1 3 343.515 2.529 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC001027065145 715419359 /nfs/dbraw/zinc/41/93/59/715419359.db2.gz RPGCROKOBVHBSR-MJGOQNOKSA-N 1 3 343.515 2.583 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCCC3)C2)C1 ZINC001027065450 715421453 /nfs/dbraw/zinc/42/14/53/715421453.db2.gz YWJOWOQCFLGCJG-PKOBYXMFSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001022714704 715421717 /nfs/dbraw/zinc/42/17/17/715421717.db2.gz YWRHOWXUBDPXPI-WZGPROSRSA-N 1 3 343.515 2.943 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)C2)cs1 ZINC001027066655 715422394 /nfs/dbraw/zinc/42/23/94/715422394.db2.gz WKPGXQWIHPDQTR-INIZCTEOSA-N 1 3 349.544 2.727 20 0 EFADHO CCCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 ZINC001022714951 715424312 /nfs/dbraw/zinc/42/43/12/715424312.db2.gz ASJACVAIYLJVHO-FFZOFVMBSA-N 1 3 343.515 2.718 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)C1 ZINC001022717011 715434494 /nfs/dbraw/zinc/43/44/94/715434494.db2.gz MHWCLFHTKAHIKO-CALCHBBNSA-N 1 3 333.520 2.535 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCc4ccccc43)C2)C1 ZINC001022716995 715435172 /nfs/dbraw/zinc/43/51/72/715435172.db2.gz LWPSYRISFMQXIR-ZIFCJYIRSA-N 1 3 341.499 2.643 20 0 EFADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001022717511 715437306 /nfs/dbraw/zinc/43/73/06/715437306.db2.gz ZRPNDAJKMWVSQX-QRQLOZEOSA-N 1 3 335.536 2.926 20 0 EFADHO C[NH2+]C[C@@H]1CCN(CC2(COc3cccc(COC)c3)CCC2)C1 ZINC000262081320 715441123 /nfs/dbraw/zinc/44/11/23/715441123.db2.gz FDORNZMORGGHDO-SFHVURJKSA-N 1 3 332.488 2.923 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@@H+]1C ZINC000972175274 715476125 /nfs/dbraw/zinc/47/61/25/715476125.db2.gz DUYPSYXOCJRTBW-IEZWGBDMSA-N 1 3 347.478 2.589 20 0 EFADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3cccc(F)c3)C2)CC[N@H+]1C ZINC000972175274 715476128 /nfs/dbraw/zinc/47/61/28/715476128.db2.gz DUYPSYXOCJRTBW-IEZWGBDMSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C(=O)NCCCCCCC[NH+]1CCCC1)[C@@H]1CCCN(C)C1 ZINC000893402943 715479704 /nfs/dbraw/zinc/47/97/04/715479704.db2.gz VWCXQFKGLJWNDP-GOSISDBHSA-N 1 3 338.540 2.768 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000892259823 715486267 /nfs/dbraw/zinc/48/62/67/715486267.db2.gz DGDKCPJKHUUKDB-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CCCN(C)C2)C1 ZINC000892259823 715486274 /nfs/dbraw/zinc/48/62/74/715486274.db2.gz DGDKCPJKHUUKDB-BHIYHBOVSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000892259824 715487391 /nfs/dbraw/zinc/48/73/91/715487391.db2.gz DGDKCPJKHUUKDB-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CCCN(C)C2)C1 ZINC000892259824 715487395 /nfs/dbraw/zinc/48/73/95/715487395.db2.gz DGDKCPJKHUUKDB-NEWSRXKRSA-N 1 3 344.503 2.558 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)c1cccc(Cl)c1 ZINC001027090591 715543494 /nfs/dbraw/zinc/54/34/94/715543494.db2.gz SJVVIBUCEBRNSP-UONOGXRCSA-N 1 3 346.862 2.805 20 0 EFADHO CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001027091074 715544673 /nfs/dbraw/zinc/54/46/73/715544673.db2.gz CSHUXMWQTMBTKO-MRXNPFEDSA-N 1 3 340.471 2.714 20 0 EFADHO CN(Cc1ccc(CF)cc1)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234976 715574531 /nfs/dbraw/zinc/57/45/31/715574531.db2.gz JVHOYHANWKRQMB-IBGZPJMESA-N 1 3 347.478 2.531 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264392 715610111 /nfs/dbraw/zinc/61/01/11/715610111.db2.gz GOMGVMDRKJVAIH-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264392 715610113 /nfs/dbraw/zinc/61/01/13/715610113.db2.gz GOMGVMDRKJVAIH-RBUKOAKNSA-N 1 3 331.504 2.614 20 0 EFADHO Cc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972264349 715610145 /nfs/dbraw/zinc/61/01/45/715610145.db2.gz FUUWICKJMXBWSS-VQTJNVASSA-N 1 3 345.531 2.656 20 0 EFADHO Cc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1 ZINC000972264349 715610149 /nfs/dbraw/zinc/61/01/49/715610149.db2.gz FUUWICKJMXBWSS-VQTJNVASSA-N 1 3 345.531 2.656 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264752 715610633 /nfs/dbraw/zinc/61/06/33/715610633.db2.gz HJTLGYGMBRMHDC-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC000972264752 715610636 /nfs/dbraw/zinc/61/06/36/715610636.db2.gz HJTLGYGMBRMHDC-WOJBJXKFSA-N 1 3 345.531 2.868 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972268832 715616453 /nfs/dbraw/zinc/61/64/53/715616453.db2.gz ZVIDCVPPTOAUSM-RTBURBONSA-N 1 3 349.494 2.753 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1)c1ccccc1 ZINC001027139282 715682893 /nfs/dbraw/zinc/68/28/93/715682893.db2.gz FKLBSSWCFYLLHE-MOPGFXCFSA-N 1 3 343.515 2.918 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000972330096 715697849 /nfs/dbraw/zinc/69/78/49/715697849.db2.gz DNGNNUYCYASFQK-GOSISDBHSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1cccc(F)c1)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000972330096 715697851 /nfs/dbraw/zinc/69/78/51/715697851.db2.gz DNGNNUYCYASFQK-GOSISDBHSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329787 715699078 /nfs/dbraw/zinc/69/90/78/715699078.db2.gz BKIOPPJYDBRCOH-OALUTQOASA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329787 715699080 /nfs/dbraw/zinc/69/90/80/715699080.db2.gz BKIOPPJYDBRCOH-OALUTQOASA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329788 715699239 /nfs/dbraw/zinc/69/92/39/715699239.db2.gz BKIOPPJYDBRCOH-RBUKOAKNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000972329788 715699243 /nfs/dbraw/zinc/69/92/43/715699243.db2.gz BKIOPPJYDBRCOH-RBUKOAKNSA-N 1 3 343.515 2.820 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(C)s1 ZINC000972331179 715700045 /nfs/dbraw/zinc/70/00/45/715700045.db2.gz IRWJDRADKACDAW-KSSFIOAISA-N 1 3 349.544 2.882 20 0 EFADHO Cc1cc(CN(C)[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)c(C)s1 ZINC000972331179 715700051 /nfs/dbraw/zinc/70/00/51/715700051.db2.gz IRWJDRADKACDAW-KSSFIOAISA-N 1 3 349.544 2.882 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[NH2+]CC3CCCCC3)C2)CC1 ZINC001027139629 715704730 /nfs/dbraw/zinc/70/47/30/715704730.db2.gz OASMSRHGZDOPSI-LJQANCHMSA-N 1 3 335.536 2.737 20 0 EFADHO C[N@H+](CCC1CC1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334501 715708362 /nfs/dbraw/zinc/70/83/62/715708362.db2.gz HOEJBYXHZRTWQU-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CCC1CC1)[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC000972334501 715708365 /nfs/dbraw/zinc/70/83/65/715708365.db2.gz HOEJBYXHZRTWQU-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CCc1ccccc1C[N@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972334762 715708591 /nfs/dbraw/zinc/70/85/91/715708591.db2.gz JNKYYVVXKBDINS-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000972334762 715708595 /nfs/dbraw/zinc/70/85/95/715708595.db2.gz JNKYYVVXKBDINS-XLIONFOSSA-N 1 3 343.515 2.624 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336322 715712341 /nfs/dbraw/zinc/71/23/41/715712341.db2.gz WPGGMFFPZDKYRM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CC3CCCCCC3)C2)C1 ZINC000972336322 715712345 /nfs/dbraw/zinc/71/23/45/715712345.db2.gz WPGGMFFPZDKYRM-HKUYNNGSSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338861 715717334 /nfs/dbraw/zinc/71/73/34/715717334.db2.gz JYWHCVDEAWUGKC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](CC1CCCCC1)[C@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000972338861 715717336 /nfs/dbraw/zinc/71/73/36/715717336.db2.gz JYWHCVDEAWUGKC-SFHVURJKSA-N 1 3 335.536 2.831 20 0 EFADHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](NCc3ccccc3Cl)C2)CC1 ZINC001022809813 715732280 /nfs/dbraw/zinc/73/22/80/715732280.db2.gz UFCNBSWSWAFFPS-CALCHBBNSA-N 1 3 349.906 2.809 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000972353312 715740152 /nfs/dbraw/zinc/74/01/52/715740152.db2.gz FSSFYPADFLRYOQ-ROUUACIJSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C)C1)N(C)C ZINC000972353312 715740154 /nfs/dbraw/zinc/74/01/54/715740154.db2.gz FSSFYPADFLRYOQ-ROUUACIJSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000972354749 715740935 /nfs/dbraw/zinc/74/09/35/715740935.db2.gz OKTRSWRZTFQQJJ-AEFFLSMTSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(F)c2)C1)N(C)C ZINC000972354749 715740938 /nfs/dbraw/zinc/74/09/38/715740938.db2.gz OKTRSWRZTFQQJJ-AEFFLSMTSA-N 1 3 335.467 2.507 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000972354776 715741227 /nfs/dbraw/zinc/74/12/27/715741227.db2.gz OQNGAVBZBJHZIR-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC000972354776 715741231 /nfs/dbraw/zinc/74/12/31/715741231.db2.gz OQNGAVBZBJHZIR-OALUTQOASA-N 1 3 331.504 2.676 20 0 EFADHO CCc1ccc(CC[N@@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972354799 715742361 /nfs/dbraw/zinc/74/23/61/715742361.db2.gz PHPZHYCJQKTAAN-PMACEKPBSA-N 1 3 345.531 2.664 20 0 EFADHO CCc1ccc(CC[N@H+](C)[C@H]2CCN(C(=O)[C@H](CC)N(C)C)C2)cc1 ZINC000972354799 715742365 /nfs/dbraw/zinc/74/23/65/715742365.db2.gz PHPZHYCJQKTAAN-PMACEKPBSA-N 1 3 345.531 2.664 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000972355767 715743059 /nfs/dbraw/zinc/74/30/59/715743059.db2.gz ZHUYRUOVZKIXAK-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1)N(C)C ZINC000972355767 715743062 /nfs/dbraw/zinc/74/30/62/715743062.db2.gz ZHUYRUOVZKIXAK-MOPGFXCFSA-N 1 3 331.504 2.676 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001022837214 715777893 /nfs/dbraw/zinc/77/78/93/715777893.db2.gz RNTGEWCGWHJTND-ZMMAXQRCSA-N 1 3 345.462 2.579 20 0 EFADHO O=C(N[C@H]1C[C@@H](NCc2ccccc2F)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001022837214 715777896 /nfs/dbraw/zinc/77/78/96/715777896.db2.gz RNTGEWCGWHJTND-ZMMAXQRCSA-N 1 3 345.462 2.579 20 0 EFADHO Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001027441061 715810550 /nfs/dbraw/zinc/81/05/50/715810550.db2.gz RIJTWYMCOGLERV-KRWDZBQOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)C3(N(C)C)CCC3)C2)cs1 ZINC001027441061 715810555 /nfs/dbraw/zinc/81/05/55/715810555.db2.gz RIJTWYMCOGLERV-KRWDZBQOSA-N 1 3 349.544 2.964 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001027441626 715811745 /nfs/dbraw/zinc/81/17/45/715811745.db2.gz VWLSDEBXFAYGEO-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(F)c3)C2)CCC1 ZINC001027441626 715811750 /nfs/dbraw/zinc/81/17/50/715811750.db2.gz VWLSDEBXFAYGEO-GOSISDBHSA-N 1 3 347.478 2.733 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443184 715816486 /nfs/dbraw/zinc/81/64/86/715816486.db2.gz JMVSXRTXSTWLNS-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1)C1CC1 ZINC001027443184 715816487 /nfs/dbraw/zinc/81/64/87/715816487.db2.gz JMVSXRTXSTWLNS-RTBURBONSA-N 1 3 347.547 2.830 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027444076 715819642 /nfs/dbraw/zinc/81/96/42/715819642.db2.gz QFBOXPYNYWLPLC-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001027444076 715819647 /nfs/dbraw/zinc/81/96/47/715819647.db2.gz QFBOXPYNYWLPLC-PMACEKPBSA-N 1 3 343.515 2.758 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444294 715820148 /nfs/dbraw/zinc/82/01/48/715820148.db2.gz QTPHPCPHOHARQE-RTBURBONSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1)C1CC1 ZINC001027444294 715820153 /nfs/dbraw/zinc/82/01/53/715820153.db2.gz QTPHPCPHOHARQE-RTBURBONSA-N 1 3 347.478 2.589 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444753 715821173 /nfs/dbraw/zinc/82/11/73/715821173.db2.gz VDFRVNSEWIRGQO-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCCC2)C1)C1CC1 ZINC001027444753 715821175 /nfs/dbraw/zinc/82/11/75/715821175.db2.gz VDFRVNSEWIRGQO-RTBURBONSA-N 1 3 335.536 2.830 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001027442185 715822724 /nfs/dbraw/zinc/82/27/24/715822724.db2.gz PPQRFLGAYBFIPF-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO CN(CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1)C1CCC1 ZINC001027442185 715822727 /nfs/dbraw/zinc/82/27/27/715822727.db2.gz PPQRFLGAYBFIPF-LJQANCHMSA-N 1 3 335.536 2.974 20 0 EFADHO Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001027442480 715823881 /nfs/dbraw/zinc/82/38/81/715823881.db2.gz VSFJXRDCIDAGFM-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO Cc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001027442480 715823883 /nfs/dbraw/zinc/82/38/83/715823883.db2.gz VSFJXRDCIDAGFM-FQEVSTJZSA-N 1 3 343.515 2.902 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426886 715876897 /nfs/dbraw/zinc/87/68/97/715876897.db2.gz RHTGWUDCVSBFNL-QZTJIDSGSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000972426886 715876903 /nfs/dbraw/zinc/87/69/03/715876903.db2.gz RHTGWUDCVSBFNL-QZTJIDSGSA-N 1 3 326.444 2.636 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027462602 715887349 /nfs/dbraw/zinc/88/73/49/715887349.db2.gz ZSNJLOJOMONKEZ-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027462602 715887355 /nfs/dbraw/zinc/88/73/55/715887355.db2.gz ZSNJLOJOMONKEZ-RTBURBONSA-N 1 3 349.494 2.897 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(Cl)cc1 ZINC001027216558 715921054 /nfs/dbraw/zinc/92/10/54/715921054.db2.gz AUKBUECJDNXLCT-HOTGVXAUSA-N 1 3 349.906 2.935 20 0 EFADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001027217394 715921532 /nfs/dbraw/zinc/92/15/32/715921532.db2.gz JRKWVESDJQBIPK-HZPDHXFCSA-N 1 3 349.906 2.935 20 0 EFADHO CC1(C)CCC(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)CC1 ZINC001027217366 715921655 /nfs/dbraw/zinc/92/16/55/715921655.db2.gz JKCZOUXIGSOTHT-GOSISDBHSA-N 1 3 335.536 2.737 20 0 EFADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)c1cccc(Cl)c1 ZINC001027217395 715921691 /nfs/dbraw/zinc/92/16/91/715921691.db2.gz JRKWVESDJQBIPK-JKSUJKDBSA-N 1 3 349.906 2.935 20 0 EFADHO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027218053 715922082 /nfs/dbraw/zinc/92/20/82/715922082.db2.gz WVAOQKRDNMXRIA-MOPGFXCFSA-N 1 3 343.515 2.898 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001027218054 715922128 /nfs/dbraw/zinc/92/21/28/715922128.db2.gz WVAOQKRDNMXRIA-OALUTQOASA-N 1 3 343.515 2.898 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001027234622 715946916 /nfs/dbraw/zinc/94/69/16/715946916.db2.gz ANZAEJFQEHPKCC-MJGOQNOKSA-N 1 3 347.478 2.638 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CC(C)(C)C2)C1 ZINC001027235612 715949412 /nfs/dbraw/zinc/94/94/12/715949412.db2.gz SWKKWVDNPNXUDM-WMZOPIPTSA-N 1 3 335.536 2.735 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCN(C(=O)c3ccccc3CN(C)C)C2)C1 ZINC001027235753 715949514 /nfs/dbraw/zinc/94/95/14/715949514.db2.gz UVZOZJNOZWCPLL-LXPRWKDFSA-N 1 3 343.515 2.846 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001027235059 715957941 /nfs/dbraw/zinc/95/79/41/715957941.db2.gz JMCXKVOGEHNVIG-IEBWSBKVSA-N 1 3 347.547 2.879 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000893492536 716027237 /nfs/dbraw/zinc/02/72/37/716027237.db2.gz QASBOLJEZOMGBD-WZOJCFFYSA-N 1 3 348.535 2.662 20 0 EFADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](NCc3ccccc3F)C2)C1 ZINC001022975585 716041465 /nfs/dbraw/zinc/04/14/65/716041465.db2.gz OYZFFLQWWFATHO-NRSFXHEJSA-N 1 3 347.478 2.683 20 0 EFADHO C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001029106989 722877721 /nfs/dbraw/zinc/87/77/21/722877721.db2.gz FBEVDBZLFAUADQ-INIZCTEOSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)C)C1 ZINC001023024619 716093811 /nfs/dbraw/zinc/09/38/11/716093811.db2.gz BULAGIUXWDDWJO-CALCHBBNSA-N 1 3 340.471 2.821 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001023025023 716094504 /nfs/dbraw/zinc/09/45/04/716094504.db2.gz RFHGFCVDBSMUIR-PQEBFOHHSA-N 1 3 332.492 2.714 20 0 EFADHO Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CN3[C@H](C)CC[C@@H]3C)C2)c1 ZINC001023122956 716161937 /nfs/dbraw/zinc/16/19/37/716161937.db2.gz LEGNVGIKUBNMMS-TZRIAGMCSA-N 1 3 343.515 2.913 20 0 EFADHO Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001023123334 716162244 /nfs/dbraw/zinc/16/22/44/716162244.db2.gz SSFMLTAKIMLQHT-QGFMHUBQSA-N 1 3 343.515 2.913 20 0 EFADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2Cl)C1 ZINC001023124223 716163001 /nfs/dbraw/zinc/16/30/01/716163001.db2.gz CLPUBJPLZQIFKE-SRABZTEZSA-N 1 3 349.906 2.950 20 0 EFADHO Cc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)C1 ZINC001023124325 716163148 /nfs/dbraw/zinc/16/31/48/716163148.db2.gz FSXVAAPPMCXEDI-AMBYYYRHSA-N 1 3 329.488 2.605 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001023128929 716165561 /nfs/dbraw/zinc/16/55/61/716165561.db2.gz ZBTQUTZETHKMSK-KANFNMMFSA-N 1 3 329.488 2.859 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001023128930 716165627 /nfs/dbraw/zinc/16/56/27/716165627.db2.gz ZBTQUTZETHKMSK-OQIJWPOYSA-N 1 3 329.488 2.859 20 0 EFADHO CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2CC)C1 ZINC001023130327 716165963 /nfs/dbraw/zinc/16/59/63/716165963.db2.gz JMXVALOWSYCAMX-ZCNNSNEGSA-N 1 3 343.515 2.860 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001023130990 716166149 /nfs/dbraw/zinc/16/61/49/716166149.db2.gz RGIURTJCZPMNMX-SOLBZPMBSA-N 1 3 349.906 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001023130904 716166213 /nfs/dbraw/zinc/16/62/13/716166213.db2.gz LRFVELWLBLTKJM-HNJRGHQBSA-N 1 3 341.499 2.785 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001027650693 716339390 /nfs/dbraw/zinc/33/93/90/716339390.db2.gz DKJSNRNIMFBATJ-QGZVFWFLSA-N 1 3 347.528 2.575 20 0 EFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)c1 ZINC000977592633 716373135 /nfs/dbraw/zinc/37/31/35/716373135.db2.gz ZXZROYOSTBSCPJ-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO Cc1cc(C)cc(CN2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)c1 ZINC000977592633 716373140 /nfs/dbraw/zinc/37/31/40/716373140.db2.gz ZXZROYOSTBSCPJ-OALUTQOASA-N 1 3 343.515 2.582 20 0 EFADHO CC(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977629182 716407873 /nfs/dbraw/zinc/40/78/73/716407873.db2.gz NOPMCOSWMLZPMJ-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO CC(C)C[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977629182 716407875 /nfs/dbraw/zinc/40/78/75/716407875.db2.gz NOPMCOSWMLZPMJ-SFHVURJKSA-N 1 3 331.504 2.844 20 0 EFADHO C[C@@H](F)CC[N@@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637478 716415626 /nfs/dbraw/zinc/41/56/26/716415626.db2.gz GGFRLEXGNJJYMM-QAPCUYQASA-N 1 3 349.494 2.937 20 0 EFADHO C[C@@H](F)CC[N@H+]1C[C@H](NC(=O)c2cccc(CN(C)C)c2)C(C)(C)C1 ZINC000977637478 716415632 /nfs/dbraw/zinc/41/56/32/716415632.db2.gz GGFRLEXGNJJYMM-QAPCUYQASA-N 1 3 349.494 2.937 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681046 716488753 /nfs/dbraw/zinc/48/87/53/716488753.db2.gz OKHKYELEUNVLAE-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(F)cc1CN(C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681046 716488756 /nfs/dbraw/zinc/48/87/56/716488756.db2.gz OKHKYELEUNVLAE-QFBILLFUSA-N 1 3 347.478 2.509 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681051 716488935 /nfs/dbraw/zinc/48/89/35/716488935.db2.gz OKORZODERGUGGX-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681051 716488939 /nfs/dbraw/zinc/48/89/39/716488939.db2.gz OKORZODERGUGGX-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@@H+]1C ZINC001038278441 716508635 /nfs/dbraw/zinc/50/86/35/716508635.db2.gz XOPLQICDAZRAAA-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN2CCCC2CCCC2)CC[N@H+]1C ZINC001038278441 716508639 /nfs/dbraw/zinc/50/86/39/716508639.db2.gz XOPLQICDAZRAAA-GBESFXJTSA-N 1 3 335.536 2.878 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027681468 716510022 /nfs/dbraw/zinc/51/00/22/716510022.db2.gz XMKDYYWSPQOKOC-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1cccc(Cl)c1)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001027681468 716510028 /nfs/dbraw/zinc/51/00/28/716510028.db2.gz XMKDYYWSPQOKOC-WMZOPIPTSA-N 1 3 349.906 2.715 20 0 EFADHO COCCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000893521315 716521727 /nfs/dbraw/zinc/52/17/27/716521727.db2.gz CFAPTAJDMULVGJ-FYZZASKESA-N 1 3 346.515 2.928 20 0 EFADHO CC(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692470 716540692 /nfs/dbraw/zinc/54/06/92/716540692.db2.gz KEESGUWQAWKXSV-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CC(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2CN(C)C)C1 ZINC001027692470 716540694 /nfs/dbraw/zinc/54/06/94/716540694.db2.gz KEESGUWQAWKXSV-SFHVURJKSA-N 1 3 331.504 2.941 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027693700 716546267 /nfs/dbraw/zinc/54/62/67/716546267.db2.gz GTAMSTZJZXIQPH-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027693700 716546270 /nfs/dbraw/zinc/54/62/70/716546270.db2.gz GTAMSTZJZXIQPH-WOJBJXKFSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027693698 716546431 /nfs/dbraw/zinc/54/64/31/716546431.db2.gz GTAMSTZJZXIQPH-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027693698 716546434 /nfs/dbraw/zinc/54/64/34/716546434.db2.gz GTAMSTZJZXIQPH-UXHICEINSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001027693699 716546532 /nfs/dbraw/zinc/54/65/32/716546532.db2.gz GTAMSTZJZXIQPH-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001027693699 716546534 /nfs/dbraw/zinc/54/65/34/716546534.db2.gz GTAMSTZJZXIQPH-VQTJNVASSA-N 1 3 343.515 2.984 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000978946936 716593617 /nfs/dbraw/zinc/59/36/17/716593617.db2.gz FEHOGEUQOXHKKP-OKYOBFRVSA-N 1 3 335.536 2.591 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000978946936 716593620 /nfs/dbraw/zinc/59/36/20/716593620.db2.gz FEHOGEUQOXHKKP-OKYOBFRVSA-N 1 3 335.536 2.591 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001027575528 716685593 /nfs/dbraw/zinc/68/55/93/716685593.db2.gz AXMXSPABEAYYRB-QUCCMNQESA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001027575528 716685595 /nfs/dbraw/zinc/68/55/95/716685595.db2.gz AXMXSPABEAYYRB-QUCCMNQESA-N 1 3 343.515 2.636 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576914 716700605 /nfs/dbraw/zinc/70/06/05/716700605.db2.gz ZMTDPDUXEIWSIX-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(F)cc3)C2)C1 ZINC001027576914 716700608 /nfs/dbraw/zinc/70/06/08/716700608.db2.gz ZMTDPDUXEIWSIX-VQIMIIECSA-N 1 3 347.478 2.590 20 0 EFADHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027575685 716705154 /nfs/dbraw/zinc/70/51/54/716705154.db2.gz CDNFXXVFPCFMFU-YLJYHZDGSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001027575685 716705159 /nfs/dbraw/zinc/70/51/59/716705159.db2.gz CDNFXXVFPCFMFU-YLJYHZDGSA-N 1 3 343.515 2.760 20 0 EFADHO CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086296 716708023 /nfs/dbraw/zinc/70/80/23/716708023.db2.gz IAUCPZPLZPTVIG-OWZKRDHZSA-N 1 3 343.515 2.702 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(CN(C)C)c3)[C@@H]2C1 ZINC000979086296 716708029 /nfs/dbraw/zinc/70/80/29/716708029.db2.gz IAUCPZPLZPTVIG-OWZKRDHZSA-N 1 3 343.515 2.702 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001027576427 716713229 /nfs/dbraw/zinc/71/32/29/716713229.db2.gz OUIOYYPAFWSNFR-CRAIPNDOSA-N 1 3 349.544 2.821 20 0 EFADHO Cc1cc(CN(C)[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cs1 ZINC001027576427 716713232 /nfs/dbraw/zinc/71/32/32/716713232.db2.gz OUIOYYPAFWSNFR-CRAIPNDOSA-N 1 3 349.544 2.821 20 0 EFADHO CC(C)[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577634 716724004 /nfs/dbraw/zinc/72/40/04/716724004.db2.gz PGIQBTHKBUNRML-CRAIPNDOSA-N 1 3 327.488 2.530 20 0 EFADHO CC(C)[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577634 716724006 /nfs/dbraw/zinc/72/40/06/716724006.db2.gz PGIQBTHKBUNRML-CRAIPNDOSA-N 1 3 327.488 2.530 20 0 EFADHO C[N@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577806 716727424 /nfs/dbraw/zinc/72/74/24/716727424.db2.gz UNAJEOCQXPQBSI-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO C[N@@H+](CC1CC1)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001027577806 716727429 /nfs/dbraw/zinc/72/74/29/716727429.db2.gz UNAJEOCQXPQBSI-APWZRJJASA-N 1 3 339.499 2.532 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027579196 716741440 /nfs/dbraw/zinc/74/14/40/716741440.db2.gz CINUDWXAQAQAEH-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001027579196 716741446 /nfs/dbraw/zinc/74/14/46/716741446.db2.gz CINUDWXAQAQAEH-OALUTQOASA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027578209 716745890 /nfs/dbraw/zinc/74/58/90/716745890.db2.gz GKFIQKGBCIQCSN-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(F)c2)C1)N(C)C ZINC001027578209 716745897 /nfs/dbraw/zinc/74/58/97/716745897.db2.gz GKFIQKGBCIQCSN-MSOLQXFVSA-N 1 3 335.467 2.589 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027583764 716780440 /nfs/dbraw/zinc/78/04/40/716780440.db2.gz ZSNJLOJOMONKEZ-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C)C1)N(C)C ZINC001027583764 716780443 /nfs/dbraw/zinc/78/04/43/716780443.db2.gz ZSNJLOJOMONKEZ-MOPGFXCFSA-N 1 3 349.494 2.897 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023695466 716837964 /nfs/dbraw/zinc/83/79/64/716837964.db2.gz BSFXWQBLSCFBIT-QZTJIDSGSA-N 1 3 341.515 2.829 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023695466 716837971 /nfs/dbraw/zinc/83/79/71/716837971.db2.gz BSFXWQBLSCFBIT-QZTJIDSGSA-N 1 3 341.515 2.829 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000978142943 716839335 /nfs/dbraw/zinc/83/93/35/716839335.db2.gz JRHZMJWEQPKBEL-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000978142943 716839338 /nfs/dbraw/zinc/83/93/38/716839338.db2.gz JRHZMJWEQPKBEL-HAGHYFMRSA-N 1 3 347.547 2.734 20 0 EFADHO Cc1cccc([C@H](C)[N@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595426 716882640 /nfs/dbraw/zinc/88/26/40/716882640.db2.gz YNLWXPUYOXJDLC-QFBILLFUSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@H](C)[N@@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001027595426 716882645 /nfs/dbraw/zinc/88/26/45/716882645.db2.gz YNLWXPUYOXJDLC-QFBILLFUSA-N 1 3 340.471 2.945 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC000978234208 716909646 /nfs/dbraw/zinc/90/96/46/716909646.db2.gz RLYVMAAEIXBCTC-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC000978234208 716909649 /nfs/dbraw/zinc/90/96/49/716909649.db2.gz RLYVMAAEIXBCTC-HAGHYFMRSA-N 1 3 347.547 2.735 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027601468 716914607 /nfs/dbraw/zinc/91/46/07/716914607.db2.gz AJNYWVRMVCGOBH-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027601468 716914608 /nfs/dbraw/zinc/91/46/08/716914608.db2.gz AJNYWVRMVCGOBH-MOPGFXCFSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027601470 716914682 /nfs/dbraw/zinc/91/46/82/716914682.db2.gz AJNYWVRMVCGOBH-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027601470 716914684 /nfs/dbraw/zinc/91/46/84/716914684.db2.gz AJNYWVRMVCGOBH-RBUKOAKNSA-N 1 3 335.536 2.972 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001023761756 716974095 /nfs/dbraw/zinc/97/40/95/716974095.db2.gz IRSCCRXLTOIBQL-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO CCN1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001023761756 716974099 /nfs/dbraw/zinc/97/40/99/716974099.db2.gz IRSCCRXLTOIBQL-WMZOPIPTSA-N 1 3 349.544 2.951 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763323 716975055 /nfs/dbraw/zinc/97/50/55/716975055.db2.gz IRJBPMBXHJVWSD-SJORKVTESA-N 1 3 349.494 2.938 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CN(C)C)C1 ZINC001023763323 716975061 /nfs/dbraw/zinc/97/50/61/716975061.db2.gz IRJBPMBXHJVWSD-SJORKVTESA-N 1 3 349.494 2.938 20 0 EFADHO CC[C@H](F)CN1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762249 716976858 /nfs/dbraw/zinc/97/68/58/716976858.db2.gz VCSHQYFSXJSGQG-HKUYNNGSSA-N 1 3 349.494 2.938 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001023763733 716977823 /nfs/dbraw/zinc/97/78/23/716977823.db2.gz ZWBIWIQGBNCHOL-HUUCEWRRSA-N 1 3 349.441 2.641 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC001023763733 716977826 /nfs/dbraw/zinc/97/78/26/716977826.db2.gz ZWBIWIQGBNCHOL-HUUCEWRRSA-N 1 3 349.441 2.641 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001023892244 717107967 /nfs/dbraw/zinc/10/79/67/717107967.db2.gz YUVYSKURVLLVRE-APWZRJJASA-N 1 3 347.478 2.557 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000972734134 717161119 /nfs/dbraw/zinc/16/11/19/717161119.db2.gz VXPZALBPISVWOK-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000972734134 717161126 /nfs/dbraw/zinc/16/11/26/717161126.db2.gz VXPZALBPISVWOK-SJLPKXTDSA-N 1 3 349.906 2.715 20 0 EFADHO CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1)N1CCCCC1 ZINC001023986200 717173752 /nfs/dbraw/zinc/17/37/52/717173752.db2.gz FBPQVEKCTGCVHP-SFHVURJKSA-N 1 3 335.536 2.879 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001024017087 717214664 /nfs/dbraw/zinc/21/46/64/717214664.db2.gz ACKHKYRGNGYYQO-IBGZPJMESA-N 1 3 343.515 2.808 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@H](C[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001024016927 717215085 /nfs/dbraw/zinc/21/50/85/717215085.db2.gz QVAGSZSLKCMZOI-GOSISDBHSA-N 1 3 333.520 2.799 20 0 EFADHO CN(C)C1(C(=O)N2CCC[C@@H](C[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001024016928 717215202 /nfs/dbraw/zinc/21/52/02/717215202.db2.gz QVAGSZSLKCMZOI-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405804 717218588 /nfs/dbraw/zinc/21/85/88/717218588.db2.gz KJJOMTOBSLGCPX-RBUKOAKNSA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405804 717218593 /nfs/dbraw/zinc/21/85/93/717218593.db2.gz KJJOMTOBSLGCPX-RBUKOAKNSA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405573 717219007 /nfs/dbraw/zinc/21/90/07/717219007.db2.gz KJJOMTOBSLGCPX-MOPGFXCFSA-N 1 3 347.478 2.905 20 0 EFADHO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980405573 717219012 /nfs/dbraw/zinc/21/90/12/717219012.db2.gz KJJOMTOBSLGCPX-MOPGFXCFSA-N 1 3 347.478 2.905 20 0 EFADHO CN(CC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)C1CCC1 ZINC001024018168 717219334 /nfs/dbraw/zinc/21/93/34/717219334.db2.gz KXCCGBCIGHXTMK-SFHVURJKSA-N 1 3 333.520 2.799 20 0 EFADHO Cc1cccc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H](C3CC3)N(C)C)C2)c1 ZINC001024018305 717220057 /nfs/dbraw/zinc/22/00/57/717220057.db2.gz MMKMLIMXPYUBKM-ICSRJNTNSA-N 1 3 343.515 2.663 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CN(C)C3CCC3)C2)cc1 ZINC001024018346 717220201 /nfs/dbraw/zinc/22/02/01/717220201.db2.gz MVPJFUXHWPDSOE-LJQANCHMSA-N 1 3 343.515 2.808 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406788 717220810 /nfs/dbraw/zinc/22/08/10/717220810.db2.gz RZUCUDIPORHDNT-QZTJIDSGSA-N 1 3 329.488 2.685 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980406788 717220813 /nfs/dbraw/zinc/22/08/13/717220813.db2.gz RZUCUDIPORHDNT-QZTJIDSGSA-N 1 3 329.488 2.685 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccsc2)C1)N(C)C ZINC001024027090 717237287 /nfs/dbraw/zinc/23/72/87/717237287.db2.gz OKYRQMIEHRQKHY-WBVHZDCISA-N 1 3 337.533 2.663 20 0 EFADHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001024037984 717248764 /nfs/dbraw/zinc/24/87/64/717248764.db2.gz DJNFUTGVBVTIMH-WOJBJXKFSA-N 1 3 345.531 2.972 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC000980478927 717322208 /nfs/dbraw/zinc/32/22/08/717322208.db2.gz RVENYQOEBHYTRM-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CN(C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC000980478927 717322211 /nfs/dbraw/zinc/32/22/11/717322211.db2.gz RVENYQOEBHYTRM-GOSISDBHSA-N 1 3 329.488 2.695 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2cccs2)C1 ZINC000980485235 717327080 /nfs/dbraw/zinc/32/70/80/717327080.db2.gz HRFPTZOSZYIWSE-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2cccs2)C1 ZINC000980485235 717327084 /nfs/dbraw/zinc/32/70/84/717327084.db2.gz HRFPTZOSZYIWSE-FUHWJXTLSA-N 1 3 349.544 2.698 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC000980483502 717341960 /nfs/dbraw/zinc/34/19/60/717341960.db2.gz QANYRLIXQNGDKK-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCN1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000980483502 717341963 /nfs/dbraw/zinc/34/19/63/717341963.db2.gz QANYRLIXQNGDKK-RTBURBONSA-N 1 3 333.520 2.894 20 0 EFADHO CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979705614 717365262 /nfs/dbraw/zinc/36/52/62/717365262.db2.gz ANSWBBJUAIDHKR-BZSNNMDCSA-N 1 3 335.536 2.878 20 0 EFADHO CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)N3CCCCC3)C[C@H]2C1 ZINC000979705614 717365267 /nfs/dbraw/zinc/36/52/67/717365267.db2.gz ANSWBBJUAIDHKR-BZSNNMDCSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)N(C)C ZINC001024139933 717388570 /nfs/dbraw/zinc/38/85/70/717388570.db2.gz RMRRGMPDEJJBIV-RBUKOAKNSA-N 1 3 331.504 2.601 20 0 EFADHO CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1)N(C)C ZINC001024139895 717388821 /nfs/dbraw/zinc/38/88/21/717388821.db2.gz QPBFBSUXXTXTFE-RBUKOAKNSA-N 1 3 335.536 2.901 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H](C[NH2+]CC3CCCCC3)C2)C1 ZINC001024155837 717449885 /nfs/dbraw/zinc/44/98/85/717449885.db2.gz AQYHENWFSLPAGD-MJGOQNOKSA-N 1 3 335.536 2.737 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001024156026 717450565 /nfs/dbraw/zinc/45/05/65/717450565.db2.gz HCLSBYOZKPENQS-RTBURBONSA-N 1 3 343.515 2.808 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001024156396 717450949 /nfs/dbraw/zinc/45/09/49/717450949.db2.gz MTGJVALWNSFJAP-LXPRWKDFSA-N 1 3 335.536 2.593 20 0 EFADHO CC1(C)CC(C[NH2+]C[C@@H]2CCCN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC001024157100 717454322 /nfs/dbraw/zinc/45/43/22/717454322.db2.gz WXQKWYXIFWUCIQ-KRWDZBQOSA-N 1 3 349.563 2.983 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1)N(C)C ZINC001024160980 717456210 /nfs/dbraw/zinc/45/62/10/717456210.db2.gz DJNFUTGVBVTIMH-PMACEKPBSA-N 1 3 345.531 2.972 20 0 EFADHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2csc(C)c2)C1)N(C)C ZINC001024161161 717457026 /nfs/dbraw/zinc/45/70/26/717457026.db2.gz HGNMPXGLPQMYER-RDJZCZTQSA-N 1 3 337.533 2.725 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN(C)C3CCC3)C2)cc1 ZINC000980605637 717477186 /nfs/dbraw/zinc/47/71/86/717477186.db2.gz URIZDDBZSNIYMI-IEBWSBKVSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001024179039 717477873 /nfs/dbraw/zinc/47/78/73/717477873.db2.gz IUAPKNQFPRMYHC-DLBZAZTESA-N 1 3 340.471 2.850 20 0 EFADHO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH]cn3)C2)c1 ZINC001024180333 717479510 /nfs/dbraw/zinc/47/95/10/717479510.db2.gz VYUMWIGDOUSJEI-IRXDYDNUSA-N 1 3 340.471 2.850 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)CN1C(=O)CN(C)C1CCC1 ZINC000980606354 717480192 /nfs/dbraw/zinc/48/01/92/717480192.db2.gz CDPMRJNLQJSWQH-NVXWUHKLSA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2)CN1C(=O)CN(C)C1CCC1 ZINC000980606356 717480822 /nfs/dbraw/zinc/48/08/22/717480822.db2.gz CDPMRJNLQJSWQH-WBVHZDCISA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN(C)C1CCC1 ZINC000980606909 717487356 /nfs/dbraw/zinc/48/73/56/717487356.db2.gz ITUFGNVLXRMFIR-GDBMZVCRSA-N 1 3 335.517 2.559 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@@H](C)N(C(=O)CN(C)C2CCC2)C1 ZINC000980607309 717487450 /nfs/dbraw/zinc/48/74/50/717487450.db2.gz MZADDHRNIFVPLO-QZTJIDSGSA-N 1 3 343.515 2.806 20 0 EFADHO CC1CCN(CC(=O)N2CCC[C@H](C[NH2+]CC3CCCC3)C2)CC1 ZINC001024211464 717496424 /nfs/dbraw/zinc/49/64/24/717496424.db2.gz AGGGZYSPUFUFRC-LJQANCHMSA-N 1 3 335.536 2.737 20 0 EFADHO CC1CC(C[NH2+]C[C@H]2CCCN(C(=O)CN3CCC(C)CC3)C2)C1 ZINC001024213144 717512133 /nfs/dbraw/zinc/51/21/33/717512133.db2.gz XSBLVLVEHJENOY-JLAWEPINSA-N 1 3 335.536 2.593 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH2+]CC3CCC3)C2)c1 ZINC001024276051 717554651 /nfs/dbraw/zinc/55/46/51/717554651.db2.gz CZQGDFCGZAJLIQ-IBGZPJMESA-N 1 3 343.515 2.990 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001024278435 717563698 /nfs/dbraw/zinc/56/36/98/717563698.db2.gz OKFWCKNBWAMCRU-UXHICEINSA-N 1 3 343.515 2.889 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980699871 717604554 /nfs/dbraw/zinc/60/45/54/717604554.db2.gz GMVVHIOPOVPWOE-MJGOQNOKSA-N 1 3 343.515 2.745 20 0 EFADHO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)CN1C(=O)CN1CCC(C)(C)C1 ZINC000980700408 717605313 /nfs/dbraw/zinc/60/53/13/717605313.db2.gz NLYJLXRFLGVLPB-WBVHZDCISA-N 1 3 349.544 2.807 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980703944 717608790 /nfs/dbraw/zinc/60/87/90/717608790.db2.gz JNWCZGGEDKKAHY-AEFFLSMTSA-N 1 3 340.471 2.596 20 0 EFADHO Cc1ccc(C)c(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)Cc3c[nH]cn3)C2)c1 ZINC000980705415 717611285 /nfs/dbraw/zinc/61/12/85/717611285.db2.gz ZCCSWZRZDVUUSU-IAGOWNOFSA-N 1 3 340.471 2.596 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CCCC2)CN1C(=O)CN1CCC(C)CC1 ZINC000980738469 717658092 /nfs/dbraw/zinc/65/80/92/717658092.db2.gz FFDJYABAIYSHTN-IEBWSBKVSA-N 1 3 335.536 2.735 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1F ZINC001027971681 717679336 /nfs/dbraw/zinc/67/93/36/717679336.db2.gz JVKOLGCFYKBTJR-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(CN2CCC[C@H]2CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC001027971681 717679339 /nfs/dbraw/zinc/67/93/39/717679339.db2.gz JVKOLGCFYKBTJR-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCCN2C)cc1F ZINC001027971681 717679344 /nfs/dbraw/zinc/67/93/44/717679344.db2.gz JVKOLGCFYKBTJR-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CCCCN2C)cc1F ZINC001027971681 717679350 /nfs/dbraw/zinc/67/93/50/717679350.db2.gz JVKOLGCFYKBTJR-HKUYNNGSSA-N 1 3 347.478 2.699 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001027878683 717742424 /nfs/dbraw/zinc/74/24/24/717742424.db2.gz GRGAVVWNXCTTKB-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001027878683 717742428 /nfs/dbraw/zinc/74/24/28/717742428.db2.gz GRGAVVWNXCTTKB-RBUKOAKNSA-N 1 3 329.488 2.640 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027879145 717743597 /nfs/dbraw/zinc/74/35/97/717743597.db2.gz NSRPLVQIIASCTO-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cccs1 ZINC001027879145 717743600 /nfs/dbraw/zinc/74/36/00/717743600.db2.gz NSRPLVQIIASCTO-AEFFLSMTSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC001027879147 717743659 /nfs/dbraw/zinc/74/36/59/717743659.db2.gz NSRPLVQIIASCTO-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cccs1 ZINC001027879147 717743662 /nfs/dbraw/zinc/74/36/62/717743662.db2.gz NSRPLVQIIASCTO-SJLPKXTDSA-N 1 3 349.544 2.744 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000980798337 717761654 /nfs/dbraw/zinc/76/16/54/717761654.db2.gz ABAQQBYFPVSSTM-SJORKVTESA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2Cl)CN1C(=O)CN1CCCC1 ZINC000980802069 717766968 /nfs/dbraw/zinc/76/69/68/717766968.db2.gz XYYPYLFDQKGGKB-HOTGVXAUSA-N 1 3 349.906 2.762 20 0 EFADHO Cc1cc(C[NH2+]C[C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)c(C)s1 ZINC000980799653 717773930 /nfs/dbraw/zinc/77/39/30/717773930.db2.gz JWGGJHCSEIEUST-RHSMWYFYSA-N 1 3 349.544 2.787 20 0 EFADHO C[C@@H]1C[C@H](C[NH2+]CC2CC2)CN1C(=O)c1cccc(CN(C)C)c1 ZINC000980811162 717781973 /nfs/dbraw/zinc/78/19/73/717781973.db2.gz IQBWBHXMFNNNHU-CRAIPNDOSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001027986597 717788425 /nfs/dbraw/zinc/78/84/25/717788425.db2.gz ZCDXMNQBGNIYDV-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001027986597 717788428 /nfs/dbraw/zinc/78/84/28/717788428.db2.gz ZCDXMNQBGNIYDV-RBUKOAKNSA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476907 717788605 /nfs/dbraw/zinc/78/86/05/717788605.db2.gz GXLFHRVURMNGKB-RBUKOAKNSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024476907 717788611 /nfs/dbraw/zinc/78/86/11/717788611.db2.gz GXLFHRVURMNGKB-RBUKOAKNSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024476909 717788746 /nfs/dbraw/zinc/78/87/46/717788746.db2.gz GXLFHRVURMNGKB-RTBURBONSA-N 1 3 335.536 2.901 20 0 EFADHO CC(C)=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024476909 717788750 /nfs/dbraw/zinc/78/87/50/717788750.db2.gz GXLFHRVURMNGKB-RTBURBONSA-N 1 3 335.536 2.901 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@H+](C)Cc3ccsc3)C2)CCC1 ZINC001029755119 724474805 /nfs/dbraw/zinc/47/48/05/724474805.db2.gz IAWXJVGMIVQGKS-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccsc3)C2)CCC1 ZINC001029755119 724474808 /nfs/dbraw/zinc/47/48/08/724474808.db2.gz IAWXJVGMIVQGKS-OAHLLOKOSA-N 1 3 335.517 2.513 20 0 EFADHO O=C(NC[C@H]1CCCN1CC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001027997392 717853925 /nfs/dbraw/zinc/85/39/25/717853925.db2.gz NKESSFRELUMYIX-GOSISDBHSA-N 1 3 331.504 2.696 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001029754918 724474075 /nfs/dbraw/zinc/47/40/75/724474075.db2.gz FQMRSLPKVVMYSO-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)c1 ZINC001029754918 724474077 /nfs/dbraw/zinc/47/40/77/724474077.db2.gz FQMRSLPKVVMYSO-IBGZPJMESA-N 1 3 343.515 2.760 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514323 717855290 /nfs/dbraw/zinc/85/52/90/717855290.db2.gz XRRXVGHNJALRGV-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001024514323 717855293 /nfs/dbraw/zinc/85/52/93/717855293.db2.gz XRRXVGHNJALRGV-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001024514323 717855295 /nfs/dbraw/zinc/85/52/95/717855295.db2.gz XRRXVGHNJALRGV-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514323 717855297 /nfs/dbraw/zinc/85/52/97/717855297.db2.gz XRRXVGHNJALRGV-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCCN1Cc1ccsc1 ZINC001024514323 717855298 /nfs/dbraw/zinc/85/52/98/717855298.db2.gz XRRXVGHNJALRGV-DLBZAZTESA-N 1 3 335.517 2.703 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001029754537 724474093 /nfs/dbraw/zinc/47/40/93/724474093.db2.gz AOJKKYWULNAJMR-YLJYHZDGSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1ccccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001029754537 724474094 /nfs/dbraw/zinc/47/40/94/724474094.db2.gz AOJKKYWULNAJMR-YLJYHZDGSA-N 1 3 343.515 2.616 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001029754961 724474633 /nfs/dbraw/zinc/47/46/33/724474633.db2.gz GFIZZBHRTZZDRB-QAPCUYQASA-N 1 3 349.544 2.677 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cs1 ZINC001029754961 724474638 /nfs/dbraw/zinc/47/46/38/724474638.db2.gz GFIZZBHRTZZDRB-QAPCUYQASA-N 1 3 349.544 2.677 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1 ZINC001024522449 717869778 /nfs/dbraw/zinc/86/97/78/717869778.db2.gz GKDXWXBPLRBXMB-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)CN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024522449 717869781 /nfs/dbraw/zinc/86/97/81/717869781.db2.gz GKDXWXBPLRBXMB-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+](Cc1ccc(CF)cc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904501 724475385 /nfs/dbraw/zinc/47/53/85/724475385.db2.gz XIMJYCCYUZGNIQ-IBGZPJMESA-N 1 3 347.478 2.532 20 0 EFADHO C[N@H+](Cc1ccc(CF)cc1)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904501 724475387 /nfs/dbraw/zinc/47/53/87/724475387.db2.gz XIMJYCCYUZGNIQ-IBGZPJMESA-N 1 3 347.478 2.532 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985493088 724480796 /nfs/dbraw/zinc/48/07/96/724480796.db2.gz QZWIIBKWISDINY-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904364 724477528 /nfs/dbraw/zinc/47/75/28/724477528.db2.gz UHVNBUKAXMYUKS-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001029904364 724477530 /nfs/dbraw/zinc/47/75/30/724477530.db2.gz UHVNBUKAXMYUKS-QGZVFWFLSA-N 1 3 347.478 2.510 20 0 EFADHO CCc1ccccc1C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904428 724477611 /nfs/dbraw/zinc/47/76/11/724477611.db2.gz VZKMKIZVNQOGNQ-SFHVURJKSA-N 1 3 343.515 2.625 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029904428 724477614 /nfs/dbraw/zinc/47/76/14/724477614.db2.gz VZKMKIZVNQOGNQ-SFHVURJKSA-N 1 3 343.515 2.625 20 0 EFADHO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905586 724478464 /nfs/dbraw/zinc/47/84/64/724478464.db2.gz PJMBGDOLXHXBAL-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001029905586 724478465 /nfs/dbraw/zinc/47/84/65/724478465.db2.gz PJMBGDOLXHXBAL-RBUKOAKNSA-N 1 3 343.515 2.932 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1)N(C)C ZINC000985493088 724480800 /nfs/dbraw/zinc/48/08/00/724480800.db2.gz QZWIIBKWISDINY-GOSISDBHSA-N 1 3 335.467 2.589 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001027918247 718093726 /nfs/dbraw/zinc/09/37/26/718093726.db2.gz LDYCCFNIUAURHS-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1C ZINC001027918247 718093728 /nfs/dbraw/zinc/09/37/28/718093728.db2.gz LDYCCFNIUAURHS-VQTJNVASSA-N 1 3 343.515 2.950 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001029761611 724482357 /nfs/dbraw/zinc/48/23/57/724482357.db2.gz VYDSBBZCDWYPMS-PMACEKPBSA-N 1 3 345.531 2.862 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)c1 ZINC001029761611 724482358 /nfs/dbraw/zinc/48/23/58/724482358.db2.gz VYDSBBZCDWYPMS-PMACEKPBSA-N 1 3 345.531 2.862 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029767669 724485860 /nfs/dbraw/zinc/48/58/60/724485860.db2.gz XNGAKOBRGICIPA-RBUKOAKNSA-N 1 3 349.494 2.777 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(CF)cc2)C1)N(C)C ZINC001029767669 724485862 /nfs/dbraw/zinc/48/58/62/724485862.db2.gz XNGAKOBRGICIPA-RBUKOAKNSA-N 1 3 349.494 2.777 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029767648 724486117 /nfs/dbraw/zinc/48/61/17/724486117.db2.gz WTFMXUPAXPUAGF-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029767648 724486122 /nfs/dbraw/zinc/48/61/22/724486122.db2.gz WTFMXUPAXPUAGF-UYAOXDASSA-N 1 3 345.531 2.924 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029761051 724483375 /nfs/dbraw/zinc/48/33/75/724483375.db2.gz KKQGOYKZJPBMIX-HKUYNNGSSA-N 1 3 349.494 2.692 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2)C1)N(C)C ZINC001029761051 724483377 /nfs/dbraw/zinc/48/33/77/724483377.db2.gz KKQGOYKZJPBMIX-HKUYNNGSSA-N 1 3 349.494 2.692 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029766781 724483958 /nfs/dbraw/zinc/48/39/58/724483958.db2.gz GLBVGEGPNJHTDK-DOTOQJQBSA-N 1 3 337.533 2.677 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(C)c2)C1)N(C)C ZINC001029766781 724483959 /nfs/dbraw/zinc/48/39/59/724483959.db2.gz GLBVGEGPNJHTDK-DOTOQJQBSA-N 1 3 337.533 2.677 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024752295 718138209 /nfs/dbraw/zinc/13/82/09/718138209.db2.gz QVAFNXKWLVPIFI-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCF ZINC001024752295 718138211 /nfs/dbraw/zinc/13/82/11/718138211.db2.gz QVAFNXKWLVPIFI-MSOLQXFVSA-N 1 3 341.515 2.971 20 0 EFADHO COc1ccc(CCNC(=[NH2+])NC[C@H](C)N2CCCC[C@@H]2C)cc1 ZINC000066243094 718160313 /nfs/dbraw/zinc/16/03/13/718160313.db2.gz ZGBQMFPLMDUUGX-HOTGVXAUSA-N 1 3 332.492 2.615 20 0 EFADHO CCc1cccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001024800927 718167775 /nfs/dbraw/zinc/16/77/75/718167775.db2.gz JOPOHVURSWDPNI-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO CCc1cccc(CN2CCCC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001024800927 718167778 /nfs/dbraw/zinc/16/77/78/718167778.db2.gz JOPOHVURSWDPNI-PMACEKPBSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001024803890 718170069 /nfs/dbraw/zinc/17/00/69/718170069.db2.gz MADQXSXMJGGJNP-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(CN2CCCC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001024803890 718170073 /nfs/dbraw/zinc/17/00/73/718170073.db2.gz MADQXSXMJGGJNP-FUHWJXTLSA-N 1 3 349.544 2.787 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCN1C ZINC001024902234 718213686 /nfs/dbraw/zinc/21/36/86/718213686.db2.gz LLUBWNPAUHKWOH-RTBURBONSA-N 1 3 347.478 2.699 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)CN(C)C1CCC1 ZINC001024983052 718248145 /nfs/dbraw/zinc/24/81/45/718248145.db2.gz KNNVRULFVKIOMM-HXUWFJFHSA-N 1 3 343.515 2.950 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(F)c2)CCC1 ZINC001024982725 718248202 /nfs/dbraw/zinc/24/82/02/718248202.db2.gz ZNZPCXSIFGEUDA-SFHVURJKSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2)CCC1 ZINC001024983852 718248669 /nfs/dbraw/zinc/24/86/69/718248669.db2.gz CMDCQPQXBBGHIA-GOSISDBHSA-N 1 3 329.488 2.642 20 0 EFADHO CN(C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2F)CCC1 ZINC001024984868 718249376 /nfs/dbraw/zinc/24/93/76/718249376.db2.gz JLLKPSAJBDAEDL-QGZVFWFLSA-N 1 3 347.478 2.781 20 0 EFADHO CN(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001024985363 718249671 /nfs/dbraw/zinc/24/96/71/718249671.db2.gz NZMFLKBPPIEUBH-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C1CC1)N(C)C ZINC001024985630 718249763 /nfs/dbraw/zinc/24/97/63/718249763.db2.gz RFPLSOGLPDXIJJ-VQTJNVASSA-N 1 3 343.515 2.806 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cc(F)ccc2C)CC1)N(C)C ZINC000985494706 724492311 /nfs/dbraw/zinc/49/23/11/724492311.db2.gz FLJKCBNHVQNSTP-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cc(F)ccc2C)CC1)N(C)C ZINC000985494706 724492313 /nfs/dbraw/zinc/49/23/13/724492313.db2.gz FLJKCBNHVQNSTP-LJQANCHMSA-N 1 3 349.494 2.897 20 0 EFADHO CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(OC)cc1)N(C)C ZINC001024998584 718255797 /nfs/dbraw/zinc/25/57/97/718255797.db2.gz FTUMMDDWCJLCDL-IEBWSBKVSA-N 1 3 347.503 2.506 20 0 EFADHO COc1ccc2nccc(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000892553505 718277370 /nfs/dbraw/zinc/27/73/70/718277370.db2.gz NQSRRYRSXJBLCU-UHFFFAOYSA-N 1 3 329.444 2.526 20 0 EFADHO COc1ccc2nccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000892553505 718277372 /nfs/dbraw/zinc/27/73/72/718277372.db2.gz NQSRRYRSXJBLCU-UHFFFAOYSA-N 1 3 329.444 2.526 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@H+](C)Cc2cccc(C)c2)CC1)N(C)C ZINC000985497347 724495619 /nfs/dbraw/zinc/49/56/19/724495619.db2.gz VMSYPIXLUXWTBS-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CC[C@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C)c2)CC1)N(C)C ZINC000985497347 724495621 /nfs/dbraw/zinc/49/56/21/724495621.db2.gz VMSYPIXLUXWTBS-LJQANCHMSA-N 1 3 331.504 2.758 20 0 EFADHO CCN1CCN([C@@H](C)C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000892575640 718300707 /nfs/dbraw/zinc/30/07/07/718300707.db2.gz XDACUIGWEZHYTC-IBGZPJMESA-N 1 3 344.547 2.793 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1 ZINC001029910293 724497397 /nfs/dbraw/zinc/49/73/97/724497397.db2.gz DIBSZKMMDXUNCT-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029910293 724497398 /nfs/dbraw/zinc/49/73/98/724497398.db2.gz DIBSZKMMDXUNCT-OALUTQOASA-N 1 3 335.536 2.831 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1CNCc1ccccc1F)[NH+](C)C ZINC001025073679 718341964 /nfs/dbraw/zinc/34/19/64/718341964.db2.gz POGCBSIKVIHTBU-PKOBYXMFSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001025073993 718342172 /nfs/dbraw/zinc/34/21/72/718342172.db2.gz ZFMNHCJIMJFHQT-RBUKOAKNSA-N 1 3 349.494 2.883 20 0 EFADHO CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1)N(C)C ZINC001025073994 718342225 /nfs/dbraw/zinc/34/22/25/718342225.db2.gz ZFMNHCJIMJFHQT-RTBURBONSA-N 1 3 349.494 2.883 20 0 EFADHO CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1)N(C)C ZINC001025087603 718352127 /nfs/dbraw/zinc/35/21/27/718352127.db2.gz IADAFGHYXFYEDL-MSOLQXFVSA-N 1 3 335.536 2.878 20 0 EFADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025138489 718383959 /nfs/dbraw/zinc/38/39/59/718383959.db2.gz ORLIUSGANDICIK-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNCc2ccccc2F)C1 ZINC001025138489 718383961 /nfs/dbraw/zinc/38/39/61/718383961.db2.gz ORLIUSGANDICIK-FUHWJXTLSA-N 1 3 347.478 2.638 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000981196364 718483726 /nfs/dbraw/zinc/48/37/26/718483726.db2.gz ABQZHOFDVZKDAJ-NLWGTHIKSA-N 1 3 343.515 2.931 20 0 EFADHO Cc1cccc([C@H](C)N2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1 ZINC000981196364 718483728 /nfs/dbraw/zinc/48/37/28/718483728.db2.gz ABQZHOFDVZKDAJ-NLWGTHIKSA-N 1 3 343.515 2.931 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC[N@@H+]1C ZINC000981193528 718490948 /nfs/dbraw/zinc/49/09/48/718490948.db2.gz BYMYVWIRWFPSEJ-YVWKXTFCSA-N 1 3 341.499 2.548 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2CCCN([C@@H]3CCc4ccccc43)CC2)CC[N@H+]1C ZINC000981193528 718490949 /nfs/dbraw/zinc/49/09/49/718490949.db2.gz BYMYVWIRWFPSEJ-YVWKXTFCSA-N 1 3 341.499 2.548 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCc3cccs3)CC2)CC[N@@H+]1C ZINC000981200146 718494447 /nfs/dbraw/zinc/49/44/47/718494447.db2.gz KFHORYBOIAZUMA-ZWKOTPCHSA-N 1 3 349.544 2.555 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)N2CCCN(CCc3cccs3)CC2)CC[N@H+]1C ZINC000981200146 718494449 /nfs/dbraw/zinc/49/44/49/718494449.db2.gz KFHORYBOIAZUMA-ZWKOTPCHSA-N 1 3 349.544 2.555 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981332385 718634132 /nfs/dbraw/zinc/63/41/32/718634132.db2.gz WETODLKYDCBXGP-WMZOPIPTSA-N 1 3 339.499 2.676 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332385 718634134 /nfs/dbraw/zinc/63/41/34/718634134.db2.gz WETODLKYDCBXGP-WMZOPIPTSA-N 1 3 339.499 2.676 20 0 EFADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001028088235 718672936 /nfs/dbraw/zinc/67/29/36/718672936.db2.gz GQSNKVBFDRQPRH-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001028088235 718672937 /nfs/dbraw/zinc/67/29/37/718672937.db2.gz GQSNKVBFDRQPRH-VQTJNVASSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001028088237 718672986 /nfs/dbraw/zinc/67/29/86/718672986.db2.gz GQSNKVBFDRQPRH-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccccc2)C1 ZINC001028088237 718672988 /nfs/dbraw/zinc/67/29/88/718672988.db2.gz GQSNKVBFDRQPRH-WOJBJXKFSA-N 1 3 343.515 2.889 20 0 EFADHO Cc1ccc(CCN2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1 ZINC000981387451 718673539 /nfs/dbraw/zinc/67/35/39/718673539.db2.gz LSCAVWGTDDYLEP-FQEVSTJZSA-N 1 3 345.531 2.658 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000981486537 718754906 /nfs/dbraw/zinc/75/49/06/718754906.db2.gz NZQWKZYSJIUGEN-QZTJIDSGSA-N 1 3 340.471 2.520 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000981486538 718755029 /nfs/dbraw/zinc/75/50/29/718755029.db2.gz NZQWKZYSJIUGEN-ROUUACIJSA-N 1 3 340.471 2.520 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000981489216 718757125 /nfs/dbraw/zinc/75/71/25/718757125.db2.gz ZFLPDDOMMMDNNN-IRXDYDNUSA-N 1 3 330.476 2.778 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001038327311 718770396 /nfs/dbraw/zinc/77/03/96/718770396.db2.gz JCNRNXKJBZEQTO-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001038327311 718770398 /nfs/dbraw/zinc/77/03/98/718770398.db2.gz JCNRNXKJBZEQTO-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327311 718770400 /nfs/dbraw/zinc/77/04/00/718770400.db2.gz JCNRNXKJBZEQTO-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038327311 718770402 /nfs/dbraw/zinc/77/04/02/718770402.db2.gz JCNRNXKJBZEQTO-QZTJIDSGSA-N 1 3 333.520 2.632 20 0 EFADHO CN(C)Cc1ccnc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)c1 ZINC001164413925 718881430 /nfs/dbraw/zinc/88/14/30/718881430.db2.gz OELKGOQGHREKKK-AWEZNQCLSA-N 1 3 342.409 2.797 20 0 EFADHO C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H]1CCCN(C/C=C\Cl)C1 ZINC001025467938 718942455 /nfs/dbraw/zinc/94/24/55/718942455.db2.gz GLZHBLJMIBRARM-FZZAOWMFSA-N 1 3 339.911 2.584 20 0 EFADHO CN(Cc1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1)C1CC1 ZINC001164425610 718946637 /nfs/dbraw/zinc/94/66/37/718946637.db2.gz WYRIZRAFOOEQHN-PMACEKPBSA-N 1 3 334.467 2.751 20 0 EFADHO c1ccc2c(c1)C[NH2+][C@H]1CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164430481 718946960 /nfs/dbraw/zinc/94/69/60/718946960.db2.gz VYIIZCBEMVTEAA-UXHICEINSA-N 1 3 334.467 2.753 20 0 EFADHO c1ccc2c(c1)C[NH2+][C@@H]1CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164430483 718947562 /nfs/dbraw/zinc/94/75/62/718947562.db2.gz VYIIZCBEMVTEAA-WOJBJXKFSA-N 1 3 334.467 2.753 20 0 EFADHO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCCN(CCCC2CCC2)CC1 ZINC000981682373 718949570 /nfs/dbraw/zinc/94/95/70/718949570.db2.gz MOVGBRVHBQVCGR-HXUWFJFHSA-N 1 3 347.547 2.975 20 0 EFADHO CN(C)Cc1ccnc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c1 ZINC001164624757 719049136 /nfs/dbraw/zinc/04/91/36/719049136.db2.gz OWHUBXJJYRAFBT-TZIWHRDSSA-N 1 3 336.483 2.727 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2)C1CC1 ZINC000981812888 719072460 /nfs/dbraw/zinc/07/24/60/719072460.db2.gz XGUQRTGZBKRBOG-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CN(C)[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC1CCCC1)C2)C1CC1 ZINC000981812888 719072466 /nfs/dbraw/zinc/07/24/66/719072466.db2.gz XGUQRTGZBKRBOG-IBGZPJMESA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2)N(C)C ZINC000981827460 719087999 /nfs/dbraw/zinc/08/79/99/719087999.db2.gz CNMFSLCORYLPRE-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2)N(C)C ZINC000981827460 719088002 /nfs/dbraw/zinc/08/80/02/719088002.db2.gz CNMFSLCORYLPRE-KRWDZBQOSA-N 1 3 337.552 2.933 20 0 EFADHO Cc1ccc(CN2CCCN(C(=O)C3CC[NH+](C)CC3)CC2)cc1C ZINC000981872151 719148325 /nfs/dbraw/zinc/14/83/25/719148325.db2.gz AOFPSZFSGLMAKV-UHFFFAOYSA-N 1 3 343.515 2.680 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025627713 719248650 /nfs/dbraw/zinc/24/86/50/719248650.db2.gz LBALXKCHOPNMJE-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@H](NC(=O)c1cccc(CN(C)C)c1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025627713 719248653 /nfs/dbraw/zinc/24/86/53/719248653.db2.gz LBALXKCHOPNMJE-OXJNMPFZSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001025629792 719255212 /nfs/dbraw/zinc/25/52/12/719255212.db2.gz KVUSLJBZHIJKLP-SJLPKXTDSA-N 1 3 343.515 2.989 20 0 EFADHO C[C@@H](NC(=O)c1ccccc1CN(C)C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001025629792 719255214 /nfs/dbraw/zinc/25/52/14/719255214.db2.gz KVUSLJBZHIJKLP-SJLPKXTDSA-N 1 3 343.515 2.989 20 0 EFADHO CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631010 719258894 /nfs/dbraw/zinc/25/88/94/719258894.db2.gz YEHVYOCHRSRQNA-SJORKVTESA-N 1 3 331.504 2.989 20 0 EFADHO CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2CN(C)C)C1 ZINC001025631010 719258897 /nfs/dbraw/zinc/25/88/97/719258897.db2.gz YEHVYOCHRSRQNA-SJORKVTESA-N 1 3 331.504 2.989 20 0 EFADHO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)c1 ZINC001019774775 719382939 /nfs/dbraw/zinc/38/29/39/719382939.db2.gz HXPCFOQFXOKJFV-ROUUACIJSA-N 1 3 329.488 2.651 20 0 EFADHO CC[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)c1ccc(F)cc1 ZINC001019774788 719383145 /nfs/dbraw/zinc/38/31/45/719383145.db2.gz ILFMGNUUJJAFPV-ROUUACIJSA-N 1 3 333.451 2.563 20 0 EFADHO CCc1cccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCCN3CC)C2)c1 ZINC001019820702 719391562 /nfs/dbraw/zinc/39/15/62/719391562.db2.gz VGGHAAPRDAANEI-PMACEKPBSA-N 1 3 343.515 2.814 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@H+](CC2CCCCC2)C3)C1 ZINC000982012907 719437808 /nfs/dbraw/zinc/43/78/08/719437808.db2.gz HSNBOVNFLPSGIY-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CC3(C2)CCC[N@@H+](CC2CCCCC2)C3)C1 ZINC000982012907 719437811 /nfs/dbraw/zinc/43/78/11/719437811.db2.gz HSNBOVNFLPSGIY-SFHVURJKSA-N 1 3 347.547 2.833 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000982011811 719438350 /nfs/dbraw/zinc/43/83/50/719438350.db2.gz JWLGWZPBVMPCJJ-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO C[C@H]1CCCN1CC(=O)N1CC2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000982011811 719438354 /nfs/dbraw/zinc/43/83/54/719438354.db2.gz JWLGWZPBVMPCJJ-SFHVURJKSA-N 1 3 347.547 2.975 20 0 EFADHO CC(C)=CCN1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028202453 719450451 /nfs/dbraw/zinc/45/04/51/719450451.db2.gz AKGJYCLUDBRDJD-IBGZPJMESA-N 1 3 329.488 2.909 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000982084376 719527222 /nfs/dbraw/zinc/52/72/22/719527222.db2.gz PQGGQGXLPYSAAL-ACBHZAAOSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000982084376 719527224 /nfs/dbraw/zinc/52/72/24/719527224.db2.gz PQGGQGXLPYSAAL-ACBHZAAOSA-N 1 3 335.536 2.830 20 0 EFADHO C[C@H](F)CCN1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982084654 719527484 /nfs/dbraw/zinc/52/74/84/719527484.db2.gz XAFRSNDRTYKQTN-IRXDYDNUSA-N 1 3 327.488 2.533 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925835929 719557560 /nfs/dbraw/zinc/55/75/60/719557560.db2.gz VUHLKRJMKMHELN-OAGGEKHMSA-N 1 3 333.442 2.771 20 0 EFADHO FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CCNC[C@@H]1C1CCCC1 ZINC000925835929 719557563 /nfs/dbraw/zinc/55/75/63/719557563.db2.gz VUHLKRJMKMHELN-OAGGEKHMSA-N 1 3 333.442 2.771 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038342332 719564672 /nfs/dbraw/zinc/56/46/72/719564672.db2.gz VXOYOIBZTOEYEB-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCN2CCC2CCCC2)C1 ZINC001038342332 719564675 /nfs/dbraw/zinc/56/46/75/719564675.db2.gz VXOYOIBZTOEYEB-RBUKOAKNSA-N 1 3 335.536 2.735 20 0 EFADHO C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982116531 719573732 /nfs/dbraw/zinc/57/37/32/719573732.db2.gz LZANXWMVUKCIHJ-MRXNPFEDSA-N 1 3 347.528 2.514 20 0 EFADHO C[N@H+]1CC[C@H](CC(=O)N2CC3(C2)CCCN(Cc2ccsc2)C3)C1 ZINC000982116531 719573734 /nfs/dbraw/zinc/57/37/34/719573734.db2.gz LZANXWMVUKCIHJ-MRXNPFEDSA-N 1 3 347.528 2.514 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000261561083 719629807 /nfs/dbraw/zinc/62/98/07/719629807.db2.gz VAWXRMUIPIMQKG-YQVWRLOYSA-N 1 3 331.504 2.649 20 0 EFADHO C[C@H](CN(C)Cc1ccccc1)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000261561081 719629876 /nfs/dbraw/zinc/62/98/76/719629876.db2.gz VAWXRMUIPIMQKG-LMMKCTJWSA-N 1 3 331.504 2.649 20 0 EFADHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026043132 719672046 /nfs/dbraw/zinc/67/20/46/719672046.db2.gz BOZPPHHMKKKJDW-UVPIGPOJSA-N 1 3 341.499 2.668 20 0 EFADHO CC[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCC[C@H]1C ZINC001026043132 719672049 /nfs/dbraw/zinc/67/20/49/719672049.db2.gz BOZPPHHMKKKJDW-UVPIGPOJSA-N 1 3 341.499 2.668 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)c1 ZINC001026043338 719672792 /nfs/dbraw/zinc/67/27/92/719672792.db2.gz LEBQOWBMEKMXLK-OVIIUWAXSA-N 1 3 341.499 2.587 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN2CCC[C@H]2C)c1 ZINC001026043338 719672794 /nfs/dbraw/zinc/67/27/94/719672794.db2.gz LEBQOWBMEKMXLK-OVIIUWAXSA-N 1 3 341.499 2.587 20 0 EFADHO CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275910 719775656 /nfs/dbraw/zinc/77/56/56/719775656.db2.gz MFAJUZUSAXSGKM-RLLQIKCJSA-N 1 3 335.536 2.686 20 0 EFADHO CC(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCN3C(C)C)C[C@@]2(C)C1 ZINC000982275910 719775661 /nfs/dbraw/zinc/77/56/61/719775661.db2.gz MFAJUZUSAXSGKM-RLLQIKCJSA-N 1 3 335.536 2.686 20 0 EFADHO CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982280844 719790203 /nfs/dbraw/zinc/79/02/03/719790203.db2.gz HOWSFTOWASFJAV-BGYRXZFFSA-N 1 3 335.536 2.831 20 0 EFADHO CCC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)N3CCCCC3)C[C@@]2(C)C1 ZINC000982280844 719790206 /nfs/dbraw/zinc/79/02/06/719790206.db2.gz HOWSFTOWASFJAV-BGYRXZFFSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148524 719801755 /nfs/dbraw/zinc/80/17/55/719801755.db2.gz OBVSUKTYEPWETG-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001026148524 719801763 /nfs/dbraw/zinc/80/17/63/719801763.db2.gz OBVSUKTYEPWETG-OVIIUWAXSA-N 1 3 347.547 2.876 20 0 EFADHO Cc1cc(CN2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c(C)s1 ZINC001028267711 719945063 /nfs/dbraw/zinc/94/50/63/719945063.db2.gz LSYUTOMBAWZOCA-KRWDZBQOSA-N 1 3 347.528 2.541 20 0 EFADHO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH2+]CC3CCC3)[C@H]2C1)N1CCCCC1 ZINC001026268308 720080682 /nfs/dbraw/zinc/08/06/82/720080682.db2.gz YEUYSYRVZNYBIO-GBESFXJTSA-N 1 3 347.547 2.878 20 0 EFADHO CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CCCCNC2=O)ccc1OC ZINC000182339457 720116751 /nfs/dbraw/zinc/11/67/51/720116751.db2.gz PWUYBJFMNBYLRL-YJBOKZPZSA-N 1 3 347.503 2.856 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@H]2C)c(C)s1 ZINC000986358204 724651212 /nfs/dbraw/zinc/65/12/12/724651212.db2.gz XGJZEBIDYSYTNH-KBXCAEBGSA-N 1 3 349.544 2.928 20 0 EFADHO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)[C@@H]2C)c(C)c1 ZINC000986358507 724651639 /nfs/dbraw/zinc/65/16/39/724651639.db2.gz YRECOJYJZSLHHE-YLJYHZDGSA-N 1 3 343.515 2.867 20 0 EFADHO O=c1oc2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095550 720280208 /nfs/dbraw/zinc/28/02/08/720280208.db2.gz RWYKEHSKUXXIOE-HOCLYGCPSA-N 1 3 328.412 2.835 20 0 EFADHO O=c1oc2ccc(C[N@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)cc2o1 ZINC000894095550 720280212 /nfs/dbraw/zinc/28/02/12/720280212.db2.gz RWYKEHSKUXXIOE-HOCLYGCPSA-N 1 3 328.412 2.835 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC2CC2)c1 ZINC001028332831 720372809 /nfs/dbraw/zinc/37/28/09/720372809.db2.gz FFPXLVSNHAEIBH-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CN(C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CCC2CC2)c1 ZINC001028332831 720372813 /nfs/dbraw/zinc/37/28/13/720372813.db2.gz FFPXLVSNHAEIBH-LJQANCHMSA-N 1 3 329.488 2.743 20 0 EFADHO CCC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@@H]21 ZINC001026426314 720557405 /nfs/dbraw/zinc/55/74/05/720557405.db2.gz JZPGSZHDVLANGR-YTQUADARSA-N 1 3 329.488 2.598 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC001026427481 720558946 /nfs/dbraw/zinc/55/89/46/720558946.db2.gz OMBBHQWOIYFWSZ-GBESFXJTSA-N 1 3 329.488 2.597 20 0 EFADHO CC(C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3CN(C)C)C[C@H]21 ZINC001026427454 720558997 /nfs/dbraw/zinc/55/89/97/720558997.db2.gz OGZQIPWZNUPKNE-QXAKKESOSA-N 1 3 329.488 2.597 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839900 724689309 /nfs/dbraw/zinc/68/93/09/724689309.db2.gz LVJBDQGPOUCCMI-MSOLQXFVSA-N 1 3 347.547 2.689 20 0 EFADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC4(CCC4)C3)C2)C1 ZINC001029839900 724689311 /nfs/dbraw/zinc/68/93/11/724689311.db2.gz LVJBDQGPOUCCMI-MSOLQXFVSA-N 1 3 347.547 2.689 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001029840340 724689719 /nfs/dbraw/zinc/68/97/19/724689719.db2.gz WSIJNJSMZKNEEO-UYAOXDASSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1 ZINC001029840340 724689720 /nfs/dbraw/zinc/68/97/20/724689720.db2.gz WSIJNJSMZKNEEO-UYAOXDASSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001029840276 724690147 /nfs/dbraw/zinc/69/01/47/724690147.db2.gz VLPZMRBNUTZNTD-ICSRJNTNSA-N 1 3 343.515 2.617 20 0 EFADHO Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)c1 ZINC001029840276 724690150 /nfs/dbraw/zinc/69/01/50/724690150.db2.gz VLPZMRBNUTZNTD-ICSRJNTNSA-N 1 3 343.515 2.617 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CCCCC2)C1 ZINC001029841592 724691552 /nfs/dbraw/zinc/69/15/52/724691552.db2.gz KLYHVIYOUAOZAO-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCCC2)C1 ZINC001029841592 724691555 /nfs/dbraw/zinc/69/15/55/724691555.db2.gz KLYHVIYOUAOZAO-MJGOQNOKSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841559 724691807 /nfs/dbraw/zinc/69/18/07/724691807.db2.gz KBXIAZXWNIUQAB-MSOLQXFVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001029841559 724691808 /nfs/dbraw/zinc/69/18/08/724691808.db2.gz KBXIAZXWNIUQAB-MSOLQXFVSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841195 724692014 /nfs/dbraw/zinc/69/20/14/724692014.db2.gz GIHMTRMCKPSRQV-IAGOWNOFSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@@H]1CCCN1CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001029841195 724692016 /nfs/dbraw/zinc/69/20/16/724692016.db2.gz GIHMTRMCKPSRQV-IAGOWNOFSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029843241 724702295 /nfs/dbraw/zinc/70/22/95/724702295.db2.gz GNCAGKYJVGNBOK-MJGOQNOKSA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2C)C1)N(C)C ZINC001029843241 724702296 /nfs/dbraw/zinc/70/22/96/724702296.db2.gz GNCAGKYJVGNBOK-MJGOQNOKSA-N 1 3 331.504 2.616 20 0 EFADHO C[C@@H]1CCCN1CC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001026561175 720748723 /nfs/dbraw/zinc/74/87/23/720748723.db2.gz RMWDNOFGTVMZBL-VNCLNFNDSA-N 1 3 347.478 2.827 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CCc3cccs3)CC2)C1 ZINC001026560877 720748796 /nfs/dbraw/zinc/74/87/96/720748796.db2.gz HZVSBEKMQJQYDI-GTPINHCMSA-N 1 3 349.544 2.649 20 0 EFADHO C[C@H]1CCN(CC(=O)NC2CCC([NH2+]CC3CC(C)(C)C3)CC2)C1 ZINC001026560938 720748924 /nfs/dbraw/zinc/74/89/24/720748924.db2.gz KIRXGWCFTOJUGQ-ZLPCBKJTSA-N 1 3 335.536 2.781 20 0 EFADHO C[C@H]1CCCN1CC(=O)NC1CCC([NH2+]CCc2ccccc2)CC1 ZINC001026560921 720748932 /nfs/dbraw/zinc/74/89/32/720748932.db2.gz JUEUTXQKMPAKBE-KKXNLOMOSA-N 1 3 343.515 2.730 20 0 EFADHO Cc1cc(C[NH2+]C2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)cs1 ZINC001026561181 720748942 /nfs/dbraw/zinc/74/89/42/720748942.db2.gz RSMZOVWLRWXNET-NNGSBXSVSA-N 1 3 349.544 2.915 20 0 EFADHO Cc1cccc(C[NH2+]C2CCC(NC(=O)CN3CC[C@H](C)C3)CC2)c1 ZINC001026561296 720749541 /nfs/dbraw/zinc/74/95/41/720749541.db2.gz VASLRNCFENMOMT-KKXNLOMOSA-N 1 3 343.515 2.854 20 0 EFADHO CCc1nn(C)cc1C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000310080119 720753910 /nfs/dbraw/zinc/75/39/10/720753910.db2.gz IPGYLBGXOBOKOX-HXUWFJFHSA-N 1 3 326.488 2.984 20 0 EFADHO O=C(NC[C@@H]1CCN1CCC1=CCCCC1)C12CCC[NH+](CCC1)C2 ZINC001038394444 720767951 /nfs/dbraw/zinc/76/79/51/720767951.db2.gz RMTGIRMABYHLLD-IBGZPJMESA-N 1 3 345.531 2.943 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029843649 724705442 /nfs/dbraw/zinc/70/54/42/724705442.db2.gz MDELUWDNDOSMMO-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2F)C1)N(C)C ZINC001029843649 724705443 /nfs/dbraw/zinc/70/54/43/724705443.db2.gz MDELUWDNDOSMMO-LPHOPBHVSA-N 1 3 349.494 2.755 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029843987 724706166 /nfs/dbraw/zinc/70/61/66/724706166.db2.gz UHLRAVPFRPSAFW-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2C)C1)N(C)C ZINC001029843987 724706167 /nfs/dbraw/zinc/70/61/67/724706167.db2.gz UHLRAVPFRPSAFW-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CCCCN1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026590941 720785349 /nfs/dbraw/zinc/78/53/49/720785349.db2.gz MYGSCPPICBRRJK-JCYILVPMSA-N 1 3 327.488 2.628 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029844098 724706777 /nfs/dbraw/zinc/70/67/77/724706777.db2.gz WKPRBOVPEYJQOK-OALUTQOASA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2)C1)N(C)C ZINC001029844098 724706779 /nfs/dbraw/zinc/70/67/79/724706779.db2.gz WKPRBOVPEYJQOK-OALUTQOASA-N 1 3 331.504 2.616 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029844135 724707307 /nfs/dbraw/zinc/70/73/07/724707307.db2.gz WTFMXUPAXPUAGF-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(C)c2)C1)N(C)C ZINC001029844135 724707309 /nfs/dbraw/zinc/70/73/09/724707309.db2.gz WTFMXUPAXPUAGF-ICSRJNTNSA-N 1 3 345.531 2.924 20 0 EFADHO CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553447 720816515 /nfs/dbraw/zinc/81/65/15/720816515.db2.gz LJOSYICLUSNNTR-QGZVKYPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC[C@H](C)C[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553447 720816520 /nfs/dbraw/zinc/81/65/20/720816520.db2.gz LJOSYICLUSNNTR-QGZVKYPTSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554308 720822449 /nfs/dbraw/zinc/82/24/49/720822449.db2.gz VCLNGNNWPXGGQY-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554308 720822454 /nfs/dbraw/zinc/82/24/54/720822454.db2.gz VCLNGNNWPXGGQY-RLLQIKCJSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557641 720829374 /nfs/dbraw/zinc/82/93/74/720829374.db2.gz UDSYJDVBQIETSP-YSIASYRMSA-N 1 3 335.536 2.545 20 0 EFADHO CC(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557641 720829378 /nfs/dbraw/zinc/82/93/78/720829378.db2.gz UDSYJDVBQIETSP-YSIASYRMSA-N 1 3 335.536 2.545 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000982560824 720831248 /nfs/dbraw/zinc/83/12/48/720831248.db2.gz NSIPRSLMIPNJIF-SESVDKBCSA-N 1 3 343.515 2.697 20 0 EFADHO CC[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1)N(C)C ZINC000982560824 720831254 /nfs/dbraw/zinc/83/12/54/720831254.db2.gz NSIPRSLMIPNJIF-SESVDKBCSA-N 1 3 343.515 2.697 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@H+](CC1=CCCCC1)C2 ZINC000982599482 720932663 /nfs/dbraw/zinc/93/26/63/720932663.db2.gz NOMFJMADSLNTCX-BGYRXZFFSA-N 1 3 342.487 2.623 20 0 EFADHO C[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@@]1(C)C[N@@H+](CC1=CCCCC1)C2 ZINC000982599482 720932670 /nfs/dbraw/zinc/93/26/70/720932670.db2.gz NOMFJMADSLNTCX-BGYRXZFFSA-N 1 3 342.487 2.623 20 0 EFADHO C[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CC3)C[C@]2(C)C1)N1CCCCCC1 ZINC000982617034 720951503 /nfs/dbraw/zinc/95/15/03/720951503.db2.gz KLKKVFIQGRJYCC-DZFGPLHGSA-N 1 3 347.547 2.831 20 0 EFADHO C[C@@H](C(=O)N1C[C@]2(C)C[N@@H+](CC3CC3)C[C@]2(C)C1)N1CCCCCC1 ZINC000982617034 720951506 /nfs/dbraw/zinc/95/15/06/720951506.db2.gz KLKKVFIQGRJYCC-DZFGPLHGSA-N 1 3 347.547 2.831 20 0 EFADHO CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616974 720951755 /nfs/dbraw/zinc/95/17/55/720951755.db2.gz IUBBYZKRXKBJSB-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO CC(C)[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)N3CCCCCC3)C[C@@]2(C)C1 ZINC000982616974 720951758 /nfs/dbraw/zinc/95/17/58/720951758.db2.gz IUBBYZKRXKBJSB-YSIASYRMSA-N 1 3 335.536 2.830 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(CCOc3cccc(Br)c3)C[C@@H]2C1 ZINC000312748355 720978194 /nfs/dbraw/zinc/97/81/94/720978194.db2.gz WSABBPITJQQDOT-KGLIPLIRSA-N 1 3 339.277 2.711 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(CCOc3cccc(Br)c3)C[C@@H]2C1 ZINC000312748355 720978196 /nfs/dbraw/zinc/97/81/96/720978196.db2.gz WSABBPITJQQDOT-KGLIPLIRSA-N 1 3 339.277 2.711 20 0 EFADHO C[N@@H+]1CC[C@@H]2CN(CCOc3ccc(Br)cc3)C[C@@H]2C1 ZINC000312758644 720980970 /nfs/dbraw/zinc/98/09/70/720980970.db2.gz YDNRCGLPQVPYNQ-KGLIPLIRSA-N 1 3 339.277 2.711 20 0 EFADHO C[N@H+]1CC[C@@H]2CN(CCOc3ccc(Br)cc3)C[C@@H]2C1 ZINC000312758644 720980974 /nfs/dbraw/zinc/98/09/74/720980974.db2.gz YDNRCGLPQVPYNQ-KGLIPLIRSA-N 1 3 339.277 2.711 20 0 EFADHO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001028536406 720984785 /nfs/dbraw/zinc/98/47/85/720984785.db2.gz BLZASKKNCRNTPM-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCCN3C(C)C)C2)c1 ZINC001028536406 720984788 /nfs/dbraw/zinc/98/47/88/720984788.db2.gz BLZASKKNCRNTPM-UXHICEINSA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536617 720985688 /nfs/dbraw/zinc/98/56/88/720985688.db2.gz CDIBDFBMPMCDNQ-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001028536617 720985691 /nfs/dbraw/zinc/98/56/91/720985691.db2.gz CDIBDFBMPMCDNQ-MJGOQNOKSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001028537534 720986978 /nfs/dbraw/zinc/98/69/78/720986978.db2.gz NABIZRDGRMTPAX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001028537534 720986979 /nfs/dbraw/zinc/98/69/79/720986979.db2.gz NABIZRDGRMTPAX-OALUTQOASA-N 1 3 335.536 2.878 20 0 EFADHO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537727 720987386 /nfs/dbraw/zinc/98/73/86/720987386.db2.gz QZVIKUXQSUQQNU-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)C1 ZINC001028537727 720987390 /nfs/dbraw/zinc/98/73/90/720987390.db2.gz QZVIKUXQSUQQNU-QUCCMNQESA-N 1 3 343.515 2.806 20 0 EFADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537884 720987962 /nfs/dbraw/zinc/98/79/62/720987962.db2.gz UPFWZZIXVNUTRR-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001028537884 720987965 /nfs/dbraw/zinc/98/79/65/720987965.db2.gz UPFWZZIXVNUTRR-IEBWSBKVSA-N 1 3 347.478 2.637 20 0 EFADHO Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026732207 720995029 /nfs/dbraw/zinc/99/50/29/720995029.db2.gz AHEKFXHMQQWGSF-YJBOKZPZSA-N 1 3 349.906 2.681 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC001029947399 724729509 /nfs/dbraw/zinc/72/95/09/724729509.db2.gz PPIZHXKZPNRGFT-QGZVFWFLSA-N 1 3 335.517 2.513 20 0 EFADHO CN1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1 ZINC001029947399 724729511 /nfs/dbraw/zinc/72/95/11/724729511.db2.gz PPIZHXKZPNRGFT-QGZVFWFLSA-N 1 3 335.517 2.513 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028579099 721091115 /nfs/dbraw/zinc/09/11/15/721091115.db2.gz AEGOBWWNXICNIX-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028579099 721091121 /nfs/dbraw/zinc/09/11/21/721091121.db2.gz AEGOBWWNXICNIX-WOJBJXKFSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001028579094 721091393 /nfs/dbraw/zinc/09/13/93/721091393.db2.gz AEGOBWWNXICNIX-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001028579094 721091399 /nfs/dbraw/zinc/09/13/99/721091399.db2.gz AEGOBWWNXICNIX-PMACEKPBSA-N 1 3 343.515 2.808 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001028580431 721109922 /nfs/dbraw/zinc/10/99/22/721109922.db2.gz WCFLZBFNJCYHRZ-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001028580431 721109926 /nfs/dbraw/zinc/10/99/26/721109926.db2.gz WCFLZBFNJCYHRZ-MJGOQNOKSA-N 1 3 347.547 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028580598 721111622 /nfs/dbraw/zinc/11/16/22/721111622.db2.gz ZKHJTWVCSQRQGW-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028580598 721111625 /nfs/dbraw/zinc/11/16/25/721111625.db2.gz ZKHJTWVCSQRQGW-RBUKOAKNSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001028580599 721111763 /nfs/dbraw/zinc/11/17/63/721111763.db2.gz ZKHJTWVCSQRQGW-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001028580599 721111766 /nfs/dbraw/zinc/11/17/66/721111766.db2.gz ZKHJTWVCSQRQGW-RTBURBONSA-N 1 3 335.536 2.879 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC000982724872 721130884 /nfs/dbraw/zinc/13/08/84/721130884.db2.gz FQKQKFHTJRQRTK-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO CCCCN1CCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC)C[C@]2(C)C1 ZINC000982724872 721130888 /nfs/dbraw/zinc/13/08/88/721130888.db2.gz FQKQKFHTJRQRTK-RLLQIKCJSA-N 1 3 335.536 2.831 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974604044 721193080 /nfs/dbraw/zinc/19/30/80/721193080.db2.gz DJBSMBOTOINJDX-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO Cc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cc1 ZINC000974604044 721193081 /nfs/dbraw/zinc/19/30/81/721193081.db2.gz DJBSMBOTOINJDX-BHIYHBOVSA-N 1 3 343.515 2.662 20 0 EFADHO C[NH+](C)CCOc1cccc(NC(=O)[C@@H](N)CC2CCCCC2)c1 ZINC000261783105 721212411 /nfs/dbraw/zinc/21/24/11/721212411.db2.gz XZZDRIVKAZARTI-SFHVURJKSA-N 1 3 333.476 2.863 20 0 EFADHO CC1(C)CN(CCCF)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000974680659 721276256 /nfs/dbraw/zinc/27/62/56/721276256.db2.gz JJBNJWADHZEJKM-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO CC1(C)CN(CCCF)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000974680659 721276259 /nfs/dbraw/zinc/27/62/59/721276259.db2.gz JJBNJWADHZEJKM-SJORKVTESA-N 1 3 339.499 2.580 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCc4ccccc43)C2)CCC1 ZINC001026885641 721294605 /nfs/dbraw/zinc/29/46/05/721294605.db2.gz KKPGJOPRQAOFBX-LPHOPBHVSA-N 1 3 341.499 2.596 20 0 EFADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1)c1cccc(F)c1 ZINC001026885891 721294929 /nfs/dbraw/zinc/29/49/29/721294929.db2.gz OMINGDADEMXUQG-CVEARBPZSA-N 1 3 347.478 2.809 20 0 EFADHO Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026888818 721297090 /nfs/dbraw/zinc/29/70/90/721297090.db2.gz OFYSKRMVGVOIQS-QZTJIDSGSA-N 1 3 343.515 2.978 20 0 EFADHO Cc1ccc(F)c(C[NH2+]C[C@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026889175 721297984 /nfs/dbraw/zinc/29/79/84/721297984.db2.gz SQUJFEUDPKMAMM-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1)c1ccccc1 ZINC001026889216 721298177 /nfs/dbraw/zinc/29/81/77/721298177.db2.gz UDOMGFJJLKEPSS-IRXDYDNUSA-N 1 3 329.488 2.670 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026889354 721298234 /nfs/dbraw/zinc/29/82/34/721298234.db2.gz VMYZSFISULXBSS-MRXNPFEDSA-N 1 3 347.478 2.557 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+][C@H]2CCc3ccccc32)C1)C1CCC1 ZINC001026889695 721298609 /nfs/dbraw/zinc/29/86/09/721298609.db2.gz ZRGWIENSRWMDTA-UZLBHIALSA-N 1 3 341.499 2.596 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)c1 ZINC001026889729 721298800 /nfs/dbraw/zinc/29/88/00/721298800.db2.gz CWZMWAJKCVKEBU-SFHVURJKSA-N 1 3 343.515 2.726 20 0 EFADHO Cc1cc(C[N@@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC000985645971 724749309 /nfs/dbraw/zinc/74/93/09/724749309.db2.gz FYPSQRKRWJSOKK-OAHLLOKOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(C[N@H+](C)C2CCN(C(=O)CN3CCC[C@H]3C)CC2)cs1 ZINC000985645971 724749314 /nfs/dbraw/zinc/74/93/14/724749314.db2.gz FYPSQRKRWJSOKK-OAHLLOKOSA-N 1 3 349.544 2.964 20 0 EFADHO Cc1cc(F)ccc1C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001026886341 721305106 /nfs/dbraw/zinc/30/51/06/721305106.db2.gz VUKHAYRZQKHRNU-INIZCTEOSA-N 1 3 347.478 2.557 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)CCC1 ZINC001026886447 721305260 /nfs/dbraw/zinc/30/52/60/721305260.db2.gz XPXGWPJTDYUWDN-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CCC1 ZINC001026886273 721305336 /nfs/dbraw/zinc/30/53/36/721305336.db2.gz SYRXUVICPLLQLQ-INIZCTEOSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001026886722 721305854 /nfs/dbraw/zinc/30/58/54/721305854.db2.gz DXAFTSBOKOCTJX-OXQOHEQNSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026886720 721305958 /nfs/dbraw/zinc/30/59/58/721305958.db2.gz DXAFTSBOKOCTJX-JXFKEZNVSA-N 1 3 343.515 2.527 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001026886723 721306020 /nfs/dbraw/zinc/30/60/20/721306020.db2.gz DXAFTSBOKOCTJX-UZLBHIALSA-N 1 3 343.515 2.527 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1)C1CC1 ZINC001026887031 721306642 /nfs/dbraw/zinc/30/66/42/721306642.db2.gz JYNOFPNHHRWQCM-KDOFPFPSSA-N 1 3 349.906 2.618 20 0 EFADHO CN(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2)C1)C1CC1 ZINC001026887355 721307190 /nfs/dbraw/zinc/30/71/90/721307190.db2.gz PEOREGWUFUZIDO-YJBOKZPZSA-N 1 3 349.906 2.618 20 0 EFADHO CN(CC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Cl)C1)C1CCC1 ZINC001026888426 721308479 /nfs/dbraw/zinc/30/84/79/721308479.db2.gz FSZMCVMUEGZYIP-OAHLLOKOSA-N 1 3 349.906 2.762 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001026888040 721308683 /nfs/dbraw/zinc/30/86/83/721308683.db2.gz ABERCWGPWOWCAK-QGZVFWFLSA-N 1 3 343.515 2.671 20 0 EFADHO CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)CC1 ZINC001026888719 721309264 /nfs/dbraw/zinc/30/92/64/721309264.db2.gz MNOWFJLXYPZCCU-ABHNRTSZSA-N 1 3 335.536 2.735 20 0 EFADHO CCc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001026900908 721312117 /nfs/dbraw/zinc/31/21/17/721312117.db2.gz GKYOUYUDKVUFMF-PMACEKPBSA-N 1 3 345.531 2.773 20 0 EFADHO CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1)N(C)C ZINC001026901393 721312504 /nfs/dbraw/zinc/31/25/04/721312504.db2.gz OIXOESCFNWEZQW-OALUTQOASA-N 1 3 349.563 2.981 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1 ZINC001026901919 721313264 /nfs/dbraw/zinc/31/32/64/721313264.db2.gz VZFHAZJMLPSHAI-MOPGFXCFSA-N 1 3 331.504 2.519 20 0 EFADHO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1F ZINC001026901957 721313349 /nfs/dbraw/zinc/31/33/49/721313349.db2.gz WPVYXWKNECLJLH-HKUYNNGSSA-N 1 3 349.494 2.658 20 0 EFADHO CCc1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001026901915 721313406 /nfs/dbraw/zinc/31/34/06/721313406.db2.gz VYCUFYNLXPPSFE-PXNSSMCTSA-N 1 3 345.531 2.773 20 0 EFADHO Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000985646962 724752523 /nfs/dbraw/zinc/75/25/23/724752523.db2.gz MMWPZLHUBSFEOQ-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO Cc1ccc(C[N@H+](C)C2CCN(C(=O)CN3CC[C@H](C)C3)CC2)cc1 ZINC000985646962 724752526 /nfs/dbraw/zinc/75/25/26/724752526.db2.gz MMWPZLHUBSFEOQ-SFHVURJKSA-N 1 3 343.515 2.760 20 0 EFADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1)N(C)C ZINC001026916955 721344052 /nfs/dbraw/zinc/34/40/52/721344052.db2.gz SXVXVMYWLGSJDG-YLJYHZDGSA-N 1 3 343.515 2.842 20 0 EFADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1)N(C)C ZINC001026916909 721344338 /nfs/dbraw/zinc/34/43/38/721344338.db2.gz RRHIFZJZDBNQFK-PKOBYXMFSA-N 1 3 331.504 2.582 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C ZINC000974757137 721393390 /nfs/dbraw/zinc/39/33/90/721393390.db2.gz FZRDYOLTEYWFSW-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO CC(C)CN1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC000974757137 721393393 /nfs/dbraw/zinc/39/33/93/721393393.db2.gz FZRDYOLTEYWFSW-MSOLQXFVSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC000985652381 724761130 /nfs/dbraw/zinc/76/11/30/724761130.db2.gz FGIUNELYRHSWHT-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CC3CC(C)(C)C3)CC2)C1 ZINC000985652381 724761133 /nfs/dbraw/zinc/76/11/33/724761133.db2.gz FGIUNELYRHSWHT-INIZCTEOSA-N 1 3 335.536 2.687 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@H+](C)CCC3CCCC3)CC2)C1 ZINC000985655597 724766041 /nfs/dbraw/zinc/76/60/41/724766041.db2.gz UQODUCMUEAACIZ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[C@H]1CCN(CC(=O)N2CCC([N@@H+](C)CCC3CCCC3)CC2)C1 ZINC000985655597 724766042 /nfs/dbraw/zinc/76/60/42/724766042.db2.gz UQODUCMUEAACIZ-KRWDZBQOSA-N 1 3 335.536 2.831 20 0 EFADHO C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853694 724778786 /nfs/dbraw/zinc/77/87/86/724778786.db2.gz QEVPLUFZVXJRHG-OAHLLOKOSA-N 1 3 346.862 2.586 20 0 EFADHO C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001029853694 724778788 /nfs/dbraw/zinc/77/87/88/724778788.db2.gz QEVPLUFZVXJRHG-OAHLLOKOSA-N 1 3 346.862 2.586 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001029972115 724779578 /nfs/dbraw/zinc/77/95/78/724779578.db2.gz CJAIDAKWPYFBJO-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)CC2=CCCCC2)CC1)N(C)C ZINC001029972115 724779580 /nfs/dbraw/zinc/77/95/80/724779580.db2.gz CJAIDAKWPYFBJO-LJQANCHMSA-N 1 3 335.536 2.997 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC001029972628 724784004 /nfs/dbraw/zinc/78/40/04/724784004.db2.gz LAHAROWVMBJQNY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC001029972628 724784005 /nfs/dbraw/zinc/78/40/05/724784005.db2.gz LAHAROWVMBJQNY-LJQANCHMSA-N 1 3 349.494 2.836 20 0 EFADHO Cc1cccc([C@@H](C)[N@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674390 724785061 /nfs/dbraw/zinc/78/50/61/724785061.db2.gz BIXSZYSPWHLNKM-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1cccc([C@@H](C)[N@@H+](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC000985674390 724785064 /nfs/dbraw/zinc/78/50/64/724785064.db2.gz BIXSZYSPWHLNKM-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO C[N@H+](CC1CCCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674375 724785123 /nfs/dbraw/zinc/78/51/23/724785123.db2.gz AVQBAZIEYGOPSH-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CC1CCCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674375 724785127 /nfs/dbraw/zinc/78/51/27/724785127.db2.gz AVQBAZIEYGOPSH-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@H+](CCC1CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674842 724787043 /nfs/dbraw/zinc/78/70/43/724787043.db2.gz LBXARVVDIXPCSH-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO C[N@@H+](CCC1CCCCC1)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985674842 724787047 /nfs/dbraw/zinc/78/70/47/724787047.db2.gz LBXARVVDIXPCSH-UHFFFAOYSA-N 1 3 332.492 2.845 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675125 724787196 /nfs/dbraw/zinc/78/71/96/724787196.db2.gz OGGJCQOQZVHNCY-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO Cc1ccccc1[C@@H](C)[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000985675125 724787198 /nfs/dbraw/zinc/78/71/98/724787198.db2.gz OGGJCQOQZVHNCY-MRXNPFEDSA-N 1 3 340.471 2.945 20 0 EFADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N)n3)C[C@H]21 ZINC001165026658 721806199 /nfs/dbraw/zinc/80/61/99/721806199.db2.gz RULGHLPOQKGRTA-KBAYOESNSA-N 1 3 337.471 2.796 20 0 EFADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cccc(N)n3)C[C@H]21 ZINC001165026658 721806200 /nfs/dbraw/zinc/80/62/00/721806200.db2.gz RULGHLPOQKGRTA-KBAYOESNSA-N 1 3 337.471 2.796 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001028709743 721876343 /nfs/dbraw/zinc/87/63/43/721876343.db2.gz CXASSNUGWSRQNH-YKXBDCQTSA-N 1 3 349.906 2.595 20 0 EFADHO C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001028709741 721876577 /nfs/dbraw/zinc/87/65/77/721876577.db2.gz CXASSNUGWSRQNH-AVFOEOQDSA-N 1 3 349.906 2.595 20 0 EFADHO CC[C@H](F)CN1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028802469 722005821 /nfs/dbraw/zinc/00/58/21/722005821.db2.gz PDWXZVPXBRFZNZ-HKUYNNGSSA-N 1 3 349.494 2.591 20 0 EFADHO CC1CC(C[N@H+](C)C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000985712484 724819476 /nfs/dbraw/zinc/81/94/76/724819476.db2.gz JBVGEDAGJGGKAK-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC1CC(C[N@@H+](C)C2CCN(C(=O)CN3CCC(C)CC3)CC2)C1 ZINC000985712484 724819480 /nfs/dbraw/zinc/81/94/80/724819480.db2.gz JBVGEDAGJGGKAK-UHFFFAOYSA-N 1 3 335.536 2.687 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001028845548 722044374 /nfs/dbraw/zinc/04/43/74/722044374.db2.gz MILFVEAWUNXLJS-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001028845548 722044377 /nfs/dbraw/zinc/04/43/77/722044377.db2.gz MILFVEAWUNXLJS-SJLPKXTDSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c(Cl)c1 ZINC001028985065 722598830 /nfs/dbraw/zinc/59/88/30/722598830.db2.gz HQUDHRBIDCUVCT-WBVHZDCISA-N 1 3 349.906 2.538 20 0 EFADHO Cc1ccc(CN2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c(Cl)c1 ZINC001028985065 722598832 /nfs/dbraw/zinc/59/88/32/722598832.db2.gz HQUDHRBIDCUVCT-WBVHZDCISA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985237 722598844 /nfs/dbraw/zinc/59/88/44/722598844.db2.gz JNIVPYAQYQYDDC-RDJZCZTQSA-N 1 3 349.906 2.538 20 0 EFADHO Cc1cc(Cl)ccc1CN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028985237 722598846 /nfs/dbraw/zinc/59/88/46/722598846.db2.gz JNIVPYAQYQYDDC-RDJZCZTQSA-N 1 3 349.906 2.538 20 0 EFADHO CC[C@@H](F)CN1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001238 722618519 /nfs/dbraw/zinc/61/85/19/722618519.db2.gz SMZXEIUYLYIUAG-DOTOQJQBSA-N 1 3 335.467 2.548 20 0 EFADHO Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001029065149 722724894 /nfs/dbraw/zinc/72/48/94/722724894.db2.gz CXXGJWQJBZDHSA-PXNSSMCTSA-N 1 3 343.515 2.806 20 0 EFADHO C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029065608 722725815 /nfs/dbraw/zinc/72/58/15/722725815.db2.gz JECULOLTDMSTTN-LPHOPBHVSA-N 1 3 333.520 2.798 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)(C)C1)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001029066070 722726415 /nfs/dbraw/zinc/72/64/15/722726415.db2.gz NZHHRCQSTGFALY-YJBOKZPZSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC000939137460 728762317 /nfs/dbraw/zinc/76/23/17/728762317.db2.gz IKIBGWLOXSQIIX-SJLPKXTDSA-N 1 3 347.547 2.735 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000894588865 722788849 /nfs/dbraw/zinc/78/88/49/722788849.db2.gz VDFXEBSPURKYPP-CEXWTWQISA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000894588865 722788850 /nfs/dbraw/zinc/78/88/50/722788850.db2.gz VDFXEBSPURKYPP-CEXWTWQISA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000894588867 722788937 /nfs/dbraw/zinc/78/89/37/722788937.db2.gz VDFXEBSPURKYPP-GUDVDZBRSA-N 1 3 348.535 2.662 20 0 EFADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000894588867 722788939 /nfs/dbraw/zinc/78/89/39/722788939.db2.gz VDFXEBSPURKYPP-GUDVDZBRSA-N 1 3 348.535 2.662 20 0 EFADHO COC[C@@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CCN(Cc2ccccc2)C1 ZINC000894616137 722797788 /nfs/dbraw/zinc/79/77/88/722797788.db2.gz DQNKHYPTYBBNTI-QUCCMNQESA-N 1 3 334.504 2.522 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCCC[N@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000894750442 722835740 /nfs/dbraw/zinc/83/57/40/722835740.db2.gz HXMMDAOHOVXGAU-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[C@H](c1ccccc1)N(C)C ZINC000894750442 722835742 /nfs/dbraw/zinc/83/57/42/722835742.db2.gz HXMMDAOHOVXGAU-YQVWRLOYSA-N 1 3 346.519 2.709 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000983663047 722849629 /nfs/dbraw/zinc/84/96/29/722849629.db2.gz WBDJNBYJPWBPOC-GUDVDZBRSA-N 1 3 335.536 2.924 20 0 EFADHO CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1)N1CCCCC1 ZINC000983677711 722860776 /nfs/dbraw/zinc/86/07/76/722860776.db2.gz JNYALRNEQXQQHU-WGSAOQKQSA-N 1 3 343.515 2.936 20 0 EFADHO C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029106752 722877483 /nfs/dbraw/zinc/87/74/83/722877483.db2.gz CGQJPBLJIQLTTK-DNVCBOLYSA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001029107474 722877923 /nfs/dbraw/zinc/87/79/23/722877923.db2.gz OCOXFVNDSORIBV-KBXCAEBGSA-N 1 3 349.544 2.805 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001029108664 722879594 /nfs/dbraw/zinc/87/95/94/722879594.db2.gz NGNZQIWRCNNBBY-HNNXBMFYSA-N 1 3 349.544 2.949 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC2CCCC2)CC1)N(C)C ZINC001029110478 722881447 /nfs/dbraw/zinc/88/14/47/722881447.db2.gz PBCZJQXVPKKVQH-APWZRJJASA-N 1 3 337.552 2.980 20 0 EFADHO CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccsc2)CC1)N(C)C ZINC001029112146 722885550 /nfs/dbraw/zinc/88/55/50/722885550.db2.gz WGOOYALQHRQBLN-WMLDXEAASA-N 1 3 337.533 2.805 20 0 EFADHO C[C@H]([NH2+]CC1CC(C)C1)C1CCN(C(=O)CN2CCC(C)(C)C2)CC1 ZINC001029143393 722924067 /nfs/dbraw/zinc/92/40/67/722924067.db2.gz HESDSQSAIXHCLL-ADKAHSJRSA-N 1 3 349.563 2.981 20 0 EFADHO CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2)CC1)N(C)C ZINC001029147041 722925235 /nfs/dbraw/zinc/92/52/35/722925235.db2.gz MSKKGFFKXRIMEY-LPHOPBHVSA-N 1 3 331.504 2.744 20 0 EFADHO C[C@H]([NH2+]Cc1ccsc1)C1CCN(C(=O)CN2CCC[C@H]2C)CC1 ZINC001029147559 722925588 /nfs/dbraw/zinc/92/55/88/722925588.db2.gz WTJJNZLMQAZGDH-CVEARBPZSA-N 1 3 349.544 2.949 20 0 EFADHO Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC001029150415 722928073 /nfs/dbraw/zinc/92/80/73/722928073.db2.gz MZDOSIOYJXCTBI-MRXNPFEDSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)Cc3c[nH]cn3)CC2)c1 ZINC001029150190 722928216 /nfs/dbraw/zinc/92/82/16/722928216.db2.gz KRPQKMYFEMVUJK-MRXNPFEDSA-N 1 3 340.471 2.678 20 0 EFADHO Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC001029173649 722941868 /nfs/dbraw/zinc/94/18/68/722941868.db2.gz QDCYLCVGIQUEGA-GOSISDBHSA-N 1 3 343.515 2.808 20 0 EFADHO O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)N2CCCC1CCC1 ZINC001029309565 723332048 /nfs/dbraw/zinc/33/20/48/723332048.db2.gz RKJLSTHRAUGPIK-ZCNNSNEGSA-N 1 3 345.531 2.584 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@@H+]1C ZINC001029313995 723338170 /nfs/dbraw/zinc/33/81/70/723338170.db2.gz WSKCBRMAGYOFHB-OQIJWPOYSA-N 1 3 333.520 2.582 20 0 EFADHO C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCC2CCC2)CC[N@H+]1C ZINC001029313995 723338175 /nfs/dbraw/zinc/33/81/75/723338175.db2.gz WSKCBRMAGYOFHB-OQIJWPOYSA-N 1 3 333.520 2.582 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001029329685 723358305 /nfs/dbraw/zinc/35/83/05/723358305.db2.gz GCZXJMFFUMFGNN-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029329685 723358308 /nfs/dbraw/zinc/35/83/08/723358308.db2.gz GCZXJMFFUMFGNN-CEXWTWQISA-N 1 3 333.520 2.726 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001029347021 723404299 /nfs/dbraw/zinc/40/42/99/723404299.db2.gz JGEHLBZEGGLQBF-OTWHNJEPSA-N 1 3 347.547 2.828 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC2(CCC2)C1)N(C)C ZINC001029347021 723404303 /nfs/dbraw/zinc/40/43/03/723404303.db2.gz JGEHLBZEGGLQBF-OTWHNJEPSA-N 1 3 347.547 2.828 20 0 EFADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000896607931 723404397 /nfs/dbraw/zinc/40/43/97/723404397.db2.gz JLRUDMYBZSPCCB-AGYKMIKPSA-N 1 3 348.535 2.662 20 0 EFADHO COc1ccc([C@@H](NC(C)C)C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000896742388 723453249 /nfs/dbraw/zinc/45/32/49/723453249.db2.gz MRWAJEZVIJQTNE-PKOBYXMFSA-N 1 3 347.503 2.677 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444884 723469245 /nfs/dbraw/zinc/46/92/45/723469245.db2.gz PWEDLYUTDATTSF-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCN1CC1CC2(CCC2)C1 ZINC001038444884 723469246 /nfs/dbraw/zinc/46/92/46/723469246.db2.gz PWEDLYUTDATTSF-RTBURBONSA-N 1 3 347.547 2.878 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)c1 ZINC000984801136 723494915 /nfs/dbraw/zinc/49/49/15/723494915.db2.gz ZQYKFODYDGYFIL-IHPCNDPISA-N 1 3 343.515 2.772 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000984804136 723495970 /nfs/dbraw/zinc/49/59/70/723495970.db2.gz LJXZHEQRFGFZRQ-CDHQVMDDSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)c(C)c1 ZINC000984803717 723496049 /nfs/dbraw/zinc/49/60/49/723496049.db2.gz ITGVGDRZZSZDME-QRFRQXIXSA-N 1 3 343.515 2.630 20 0 EFADHO C[C@H]1CCN(CC(=O)N[C@@H]2C[C@@H](C[NH2+]CC3CCC(C)CC3)C2)C1 ZINC000984804986 723496297 /nfs/dbraw/zinc/49/62/97/723496297.db2.gz QTJBQJWKMMDARB-ZBABMDLNSA-N 1 3 335.536 2.639 20 0 EFADHO Cc1cc(C)cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)c1 ZINC000984806064 723496902 /nfs/dbraw/zinc/49/69/02/723496902.db2.gz WVVYMUJXBSUTLL-CDHQVMDDSA-N 1 3 343.515 2.630 20 0 EFADHO Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC000984806853 723497231 /nfs/dbraw/zinc/49/72/31/723497231.db2.gz AZFMAVGPDZPKLP-UAPYVXQJSA-N 1 3 343.515 2.711 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3F)C2)C1 ZINC000984808276 723497908 /nfs/dbraw/zinc/49/79/08/723497908.db2.gz MFISBQYTYHAWHF-JCNLHEQBSA-N 1 3 347.478 2.542 20 0 EFADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(F)cc3)C2)C1 ZINC000984809898 723498484 /nfs/dbraw/zinc/49/84/84/723498484.db2.gz TXWGMMQRUAVGGT-SAABIXHNSA-N 1 3 347.478 2.542 20 0 EFADHO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC000984802465 723499875 /nfs/dbraw/zinc/49/98/75/723499875.db2.gz AYVOPSQJUSURFY-WNHJNPCNSA-N 1 3 343.515 2.882 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000984882243 723539307 /nfs/dbraw/zinc/53/93/07/723539307.db2.gz FCRNKJKHJASXJR-UFYCRDLUSA-N 1 3 343.515 2.934 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001029503110 723578975 /nfs/dbraw/zinc/57/89/75/723578975.db2.gz JWJQFQMNHZWTEN-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029503110 723578976 /nfs/dbraw/zinc/57/89/76/723578976.db2.gz JWJQFQMNHZWTEN-OTWHNJEPSA-N 1 3 333.520 2.725 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCCCC1 ZINC001029503072 723579202 /nfs/dbraw/zinc/57/92/02/723579202.db2.gz IQSRPLJUULOYPJ-YTQUADARSA-N 1 3 333.520 2.726 20 0 EFADHO C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCCCC1 ZINC001029503072 723579205 /nfs/dbraw/zinc/57/92/05/723579205.db2.gz IQSRPLJUULOYPJ-YTQUADARSA-N 1 3 333.520 2.726 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC000985074002 723817589 /nfs/dbraw/zinc/81/75/89/723817589.db2.gz PFWKAVSUAHMKCE-QAQDUYKDSA-N 1 3 346.519 2.961 20 0 EFADHO Cc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN3[C@H](C)CC[C@H]3C)C2)c1 ZINC000985146184 723882346 /nfs/dbraw/zinc/88/23/46/723882346.db2.gz OVFUCGLBCHPKRI-HNBVOPMISA-N 1 3 343.515 2.852 20 0 EFADHO O=C(N1C[C@H]2CC[C@@H](C1)N2CCC1=CCCCC1)C12CC[NH+](CC1)C2 ZINC001029554655 723884396 /nfs/dbraw/zinc/88/43/96/723884396.db2.gz KQQDZRRFPQQUKO-KDURUIRLSA-N 1 3 343.515 2.648 20 0 EFADHO C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC000985149654 723886899 /nfs/dbraw/zinc/88/68/99/723886899.db2.gz NSZFRPPTLGDHFM-YWTNHNAXSA-N 1 3 347.547 2.924 20 0 EFADHO C[C@@H](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)N(C)C ZINC000895294810 723999044 /nfs/dbraw/zinc/99/90/44/723999044.db2.gz UGOCXFUHDGGYFL-FHERZECASA-N 1 3 343.471 2.524 20 0 EFADHO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@H](C)N(C)C ZINC000895296746 724006320 /nfs/dbraw/zinc/00/63/20/724006320.db2.gz DJSHRNGFZVVALG-LBPRGKRZSA-N 1 3 334.416 2.658 20 0 EFADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377574 724088040 /nfs/dbraw/zinc/08/80/40/724088040.db2.gz MIUBIIUZZSRKOX-QAPCUYQASA-N 1 3 345.466 2.959 20 0 EFADHO C[C@H](CN(C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000895377574 724088042 /nfs/dbraw/zinc/08/80/42/724088042.db2.gz MIUBIIUZZSRKOX-QAPCUYQASA-N 1 3 345.466 2.959 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327577 724128248 /nfs/dbraw/zinc/12/82/48/724128248.db2.gz IURXZJYQZDMYNU-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000985327577 724128250 /nfs/dbraw/zinc/12/82/50/724128250.db2.gz IURXZJYQZDMYNU-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO CCc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327395 724128459 /nfs/dbraw/zinc/12/84/59/724128459.db2.gz GMAPYFQVWWOCLG-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO CCc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985327395 724128460 /nfs/dbraw/zinc/12/84/60/724128460.db2.gz GMAPYFQVWWOCLG-HXUWFJFHSA-N 1 3 343.515 2.766 20 0 EFADHO Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985328467 724131873 /nfs/dbraw/zinc/13/18/73/724131873.db2.gz UJCGGECQDRWFSZ-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO Cc1ccccc1C[N@H+](C)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000985328467 724131874 /nfs/dbraw/zinc/13/18/74/724131874.db2.gz UJCGGECQDRWFSZ-LJQANCHMSA-N 1 3 329.488 2.512 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333151 724139266 /nfs/dbraw/zinc/13/92/66/724139266.db2.gz YTHCEHXUDBFVEP-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO C[C@@H](c1cccc(F)c1)[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000985333151 724139268 /nfs/dbraw/zinc/13/92/68/724139268.db2.gz YTHCEHXUDBFVEP-KXBFYZLASA-N 1 3 347.478 2.904 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 ZINC000895503204 724162849 /nfs/dbraw/zinc/16/28/49/724162849.db2.gz JLQSPLIKZQOSFI-INIZCTEOSA-N 1 3 349.450 2.791 20 0 EFADHO CC(C)N1CCC([NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CC1 ZINC000895507966 724166530 /nfs/dbraw/zinc/16/65/30/724166530.db2.gz NAQUSOHXJFVBIK-GOSISDBHSA-N 1 3 343.471 2.577 20 0 EFADHO CCCN1CCC([NH2+]C[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC000895497264 724169083 /nfs/dbraw/zinc/16/90/83/724169083.db2.gz ZXODIOMHPGZIRE-SFHVURJKSA-N 1 3 331.460 2.652 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001029596650 724201278 /nfs/dbraw/zinc/20/12/78/724201278.db2.gz UABIHAVISJYKAZ-USTZCAOPSA-N 1 3 335.536 2.971 20 0 EFADHO C[C@@H]1CC[C@H](C)N1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029596650 724201281 /nfs/dbraw/zinc/20/12/81/724201281.db2.gz UABIHAVISJYKAZ-USTZCAOPSA-N 1 3 335.536 2.971 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)N1CCCCC1 ZINC001029598309 724203761 /nfs/dbraw/zinc/20/37/61/724203761.db2.gz CAGHBCMHWUGDGL-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1)N1CCCCC1 ZINC001029598309 724203764 /nfs/dbraw/zinc/20/37/64/724203764.db2.gz CAGHBCMHWUGDGL-HSALFYBXSA-N 1 3 347.547 2.972 20 0 EFADHO CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC1)[NH+]1CCCCC1 ZINC001029598893 724204242 /nfs/dbraw/zinc/20/42/42/724204242.db2.gz PINVQGOXVJKERM-OTWHNJEPSA-N 1 3 333.520 2.582 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000895694364 724258436 /nfs/dbraw/zinc/25/84/36/724258436.db2.gz UCKXVQVSJXBIQP-DABHTEOTSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000895694364 724258438 /nfs/dbraw/zinc/25/84/38/724258438.db2.gz UCKXVQVSJXBIQP-DABHTEOTSA-N 1 3 332.488 2.537 20 0 EFADHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H]1OC ZINC000895694364 724258441 /nfs/dbraw/zinc/25/84/41/724258441.db2.gz UCKXVQVSJXBIQP-DABHTEOTSA-N 1 3 332.488 2.537 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000895786370 724313342 /nfs/dbraw/zinc/31/33/42/724313342.db2.gz UZEAKJWVOVOIOY-LPHOPBHVSA-N 1 3 347.503 2.582 20 0 EFADHO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029671834 724359984 /nfs/dbraw/zinc/35/99/84/724359984.db2.gz CNNZDUMVSRHBLL-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CCc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c1 ZINC001029671834 724359989 /nfs/dbraw/zinc/35/99/89/724359989.db2.gz CNNZDUMVSRHBLL-UXHICEINSA-N 1 3 343.515 2.624 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)N(C)C ZINC001029458663 724362265 /nfs/dbraw/zinc/36/22/65/724362265.db2.gz AIEZISDANQIPOM-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1)N(C)C ZINC001029458663 724362271 /nfs/dbraw/zinc/36/22/71/724362271.db2.gz AIEZISDANQIPOM-CEXWTWQISA-N 1 3 335.536 2.828 20 0 EFADHO Cc1cc(C[N@@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001029674298 724365222 /nfs/dbraw/zinc/36/52/22/724365222.db2.gz FDTAVPOOJDCAID-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)c(C)s1 ZINC001029674298 724365226 /nfs/dbraw/zinc/36/52/26/724365226.db2.gz FDTAVPOOJDCAID-SJLPKXTDSA-N 1 3 349.544 2.739 20 0 EFADHO Cc1cc(F)ccc1C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029674486 724366126 /nfs/dbraw/zinc/36/61/26/724366126.db2.gz GZGJXISNXJPWSK-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1cc(F)ccc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001029674486 724366129 /nfs/dbraw/zinc/36/61/29/724366129.db2.gz GZGJXISNXJPWSK-APWZRJJASA-N 1 3 347.478 2.509 20 0 EFADHO Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001029675961 724369627 /nfs/dbraw/zinc/36/96/27/724369627.db2.gz XYOFIVUJLBVIAI-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)c(C)c1 ZINC001029675961 724369631 /nfs/dbraw/zinc/36/96/31/724369631.db2.gz XYOFIVUJLBVIAI-ICSRJNTNSA-N 1 3 343.515 2.678 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000985751169 724854080 /nfs/dbraw/zinc/85/40/80/724854080.db2.gz LGOXOAZTLFORKK-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccccc1F)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985751169 724854081 /nfs/dbraw/zinc/85/40/81/724854081.db2.gz LGOXOAZTLFORKK-MRXNPFEDSA-N 1 3 347.478 2.590 20 0 EFADHO CN(Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985788869 724886002 /nfs/dbraw/zinc/88/60/02/724886002.db2.gz ZXLUTDIOJCBOCE-MRXNPFEDSA-N 1 3 349.906 2.715 20 0 EFADHO CN(Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985788869 724886005 /nfs/dbraw/zinc/88/60/05/724886005.db2.gz ZXLUTDIOJCBOCE-MRXNPFEDSA-N 1 3 349.906 2.715 20 0 EFADHO Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790296 724887496 /nfs/dbraw/zinc/88/74/96/724887496.db2.gz SZRHXUYOXMLBFO-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO Cc1cccc(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000985790296 724887498 /nfs/dbraw/zinc/88/74/98/724887498.db2.gz SZRHXUYOXMLBFO-UHFFFAOYSA-N 1 3 329.488 2.514 20 0 EFADHO CC1CCC(C[N@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000985791066 724888223 /nfs/dbraw/zinc/88/82/23/724888223.db2.gz BNLPOIFECAZQIK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CC1CCC(C[N@@H+](C)C2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000985791066 724888225 /nfs/dbraw/zinc/88/82/25/724888225.db2.gz BNLPOIFECAZQIK-UHFFFAOYSA-N 1 3 335.536 2.831 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCCC2)CC1 ZINC000985803183 724897769 /nfs/dbraw/zinc/89/77/69/724897769.db2.gz CLEMNCRZTJAMJD-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CCN1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985803183 724897770 /nfs/dbraw/zinc/89/77/70/724897770.db2.gz CLEMNCRZTJAMJD-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940500 724962701 /nfs/dbraw/zinc/96/27/01/724962701.db2.gz QKVUTDDLCFPZGA-WBVHZDCISA-N 1 3 335.536 2.734 20 0 EFADHO C[C@H]1[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CN1CCC(C)(C)C1 ZINC000986940488 724962726 /nfs/dbraw/zinc/96/27/26/724962726.db2.gz QJHMLPSPNKZVBA-YJBOKZPZSA-N 1 3 347.478 2.637 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@H+](C)Cc3ccsc3)C2)CC1 ZINC001029875143 724972360 /nfs/dbraw/zinc/97/23/60/724972360.db2.gz DNKXDFIPFNESLY-QGZVFWFLSA-N 1 3 349.544 2.760 20 0 EFADHO CC1CCN(CC(=O)N2CC[C@H](C[N@@H+](C)Cc3ccsc3)C2)CC1 ZINC001029875143 724972363 /nfs/dbraw/zinc/97/23/63/724972363.db2.gz DNKXDFIPFNESLY-QGZVFWFLSA-N 1 3 349.544 2.760 20 0 EFADHO Cc1cc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC(C)(C)C3)[C@@H]2C)cs1 ZINC000986943093 724977794 /nfs/dbraw/zinc/97/77/94/724977794.db2.gz VLRNWPYORSUERM-NVXWUHKLSA-N 1 3 349.544 2.867 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC001029996762 724985888 /nfs/dbraw/zinc/98/58/88/724985888.db2.gz LAHAROWVMBJQNY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2cccc(F)c2)CC1)N(C)C ZINC001029996762 724985890 /nfs/dbraw/zinc/98/58/90/724985890.db2.gz LAHAROWVMBJQNY-IBGZPJMESA-N 1 3 349.494 2.836 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccsc2)CC1)N(C)C ZINC001029996748 724986000 /nfs/dbraw/zinc/98/60/00/724986000.db2.gz KTTYYGMADVOADK-KRWDZBQOSA-N 1 3 337.533 2.759 20 0 EFADHO CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccsc2)CC1)N(C)C ZINC001029996748 724986002 /nfs/dbraw/zinc/98/60/02/724986002.db2.gz KTTYYGMADVOADK-KRWDZBQOSA-N 1 3 337.533 2.759 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008768 725459810 /nfs/dbraw/zinc/45/98/10/725459810.db2.gz DFIOTAPOHBDWMI-SBHAEUEKSA-N 1 3 345.531 2.774 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2)[C@@H](C1CC1)N1CCCC1 ZINC000992008768 725459812 /nfs/dbraw/zinc/45/98/12/725459812.db2.gz DFIOTAPOHBDWMI-SBHAEUEKSA-N 1 3 345.531 2.774 20 0 EFADHO CC(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014841 725464271 /nfs/dbraw/zinc/46/42/71/725464271.db2.gz SPWWXYUZDJONLI-WSTZPKSXSA-N 1 3 333.520 2.630 20 0 EFADHO CC(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)N3CCCC3)CCC[C@@H]12 ZINC000992014841 725464272 /nfs/dbraw/zinc/46/42/72/725464272.db2.gz SPWWXYUZDJONLI-WSTZPKSXSA-N 1 3 333.520 2.630 20 0 EFADHO C[C@@H]1[C@H]([NH2+]Cc2ccc3ccccc3c2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987055772 725465586 /nfs/dbraw/zinc/46/55/86/725465586.db2.gz CWRAXZPIEHANGP-FOIQADDNSA-N 1 3 348.450 2.885 20 0 EFADHO C[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2N(Cc2ccsc2)CC3)CC1 ZINC000992147823 725563999 /nfs/dbraw/zinc/56/39/99/725563999.db2.gz WSWAGJHAOQLYJU-IEBWSBKVSA-N 1 3 347.528 2.703 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255285 725613582 /nfs/dbraw/zinc/61/35/82/725613582.db2.gz NZGZBLPZVVEXGQ-APWZRJJASA-N 1 3 347.478 2.637 20 0 EFADHO C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCN1C(=O)CN1CCC(C)CC1 ZINC000987255833 725613991 /nfs/dbraw/zinc/61/39/91/725613991.db2.gz QVSKGEBQIKLTGI-MJGOQNOKSA-N 1 3 335.536 2.878 20 0 EFADHO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)c(C)c1 ZINC000987516083 725731992 /nfs/dbraw/zinc/73/19/92/725731992.db2.gz CLAOVGQTQBOJHQ-AZUAARDMSA-N 1 3 343.515 2.787 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2)CCN1C(=O)CN1CCCC1 ZINC000987526745 725735468 /nfs/dbraw/zinc/73/54/68/725735468.db2.gz RWFJVYMWBDFYAM-WMLDXEAASA-N 1 3 335.879 2.515 20 0 EFADHO C[C@H]1[C@H]([NH2+]Cc2ccccc2C2CC2)CCN1C(=O)CN1CCCC1 ZINC000987530001 725736302 /nfs/dbraw/zinc/73/63/02/725736302.db2.gz FXUKPYZRUZEHOM-OXJNMPFZSA-N 1 3 341.499 2.739 20 0 EFADHO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816045 725874154 /nfs/dbraw/zinc/87/41/54/725874154.db2.gz YFUFSRDNDUMBBL-SJORKVTESA-N 1 3 326.444 2.600 20 0 EFADHO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccc(NC2=NCCC2)cc1 ZINC000913816045 725874157 /nfs/dbraw/zinc/87/41/57/725874157.db2.gz YFUFSRDNDUMBBL-SJORKVTESA-N 1 3 326.444 2.600 20 0 EFADHO CC(C)[C@@H](C(=O)N1CCC2(C1)CC[NH+](CC1CCC1)CC2)N(C)C ZINC001040735631 725970713 /nfs/dbraw/zinc/97/07/13/725970713.db2.gz VVTCCGWFLUFVTQ-SFHVURJKSA-N 1 3 335.536 2.687 20 0 EFADHO C[N@H+](CCCN1CCCC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760842331 725999639 /nfs/dbraw/zinc/99/96/39/725999639.db2.gz HCIWLNMQEDISNP-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO C[N@@H+](CCCN1CCCC1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000760842331 725999640 /nfs/dbraw/zinc/99/96/40/725999640.db2.gz HCIWLNMQEDISNP-UHFFFAOYSA-N 1 3 327.513 2.955 20 0 EFADHO CN(C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)c1 ZINC000992921016 726339345 /nfs/dbraw/zinc/33/93/45/726339345.db2.gz BSQJKDWZXGCPAI-FHWLQOOXSA-N 1 3 347.478 2.548 20 0 EFADHO CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc(CN(C)C)c3)C[C@@H]21 ZINC000992926515 726342504 /nfs/dbraw/zinc/34/25/04/726342504.db2.gz OWHKFSHOXPBMTF-CEXWTWQISA-N 1 3 329.488 2.598 20 0 EFADHO COc1ccc([C@H](NC(C)C)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000897504256 726347876 /nfs/dbraw/zinc/34/78/76/726347876.db2.gz HKMMQSRDOVAMRI-SFHVURJKSA-N 1 3 347.503 2.677 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@H](c1ccccc1)N(C)C ZINC000907449492 726947333 /nfs/dbraw/zinc/94/73/33/726947333.db2.gz WZRYPVHCLUHAHK-WZGPROSRSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)[C@H](c1ccccc1)N(C)C ZINC000907449492 726947335 /nfs/dbraw/zinc/94/73/35/726947335.db2.gz WZRYPVHCLUHAHK-WZGPROSRSA-N 1 3 329.488 2.811 20 0 EFADHO C[C@H](CNC(=O)CCCC[NH+]1CCCC1)N(C)Cc1ccccc1 ZINC000732134304 726995276 /nfs/dbraw/zinc/99/52/76/726995276.db2.gz UNGGVTHDUKJHIX-GOSISDBHSA-N 1 3 331.504 2.889 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000907862201 727034952 /nfs/dbraw/zinc/03/49/52/727034952.db2.gz MTRSCAQSRNRNIL-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000907862201 727034954 /nfs/dbraw/zinc/03/49/54/727034954.db2.gz MTRSCAQSRNRNIL-LJQANCHMSA-N 1 3 343.515 2.889 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091584 727090447 /nfs/dbraw/zinc/09/04/47/727090447.db2.gz JTHLWHIBZKDTSR-IEBWSBKVSA-N 1 3 347.503 2.536 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)C1 ZINC000908091584 727090449 /nfs/dbraw/zinc/09/04/49/727090449.db2.gz JTHLWHIBZKDTSR-IEBWSBKVSA-N 1 3 347.503 2.536 20 0 EFADHO CN1CCC[C@H]1CSc1nnc(SC[C@@H]2CCC[N@@H+]2C)s1 ZINC000915603832 727101881 /nfs/dbraw/zinc/10/18/81/727101881.db2.gz RMXZKMJCZRVRCB-RYUDHWBXSA-N 1 3 344.575 2.911 20 0 EFADHO CN1CCC[C@H]1CSc1nnc(SC[C@@H]2CCC[N@H+]2C)s1 ZINC000915603832 727101884 /nfs/dbraw/zinc/10/18/84/727101884.db2.gz RMXZKMJCZRVRCB-RYUDHWBXSA-N 1 3 344.575 2.911 20 0 EFADHO CC[N@@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H](C)C1 ZINC000910280659 727426825 /nfs/dbraw/zinc/42/68/25/727426825.db2.gz DUGZCWMDRPOIDG-MRXNPFEDSA-N 1 3 338.455 2.803 20 0 EFADHO CC[N@H+]1CCCN(C(=O)c2ccc(Nc3ccncc3)cc2)[C@H](C)C1 ZINC000910280659 727426826 /nfs/dbraw/zinc/42/68/26/727426826.db2.gz DUGZCWMDRPOIDG-MRXNPFEDSA-N 1 3 338.455 2.803 20 0 EFADHO CN1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000911802718 727601622 /nfs/dbraw/zinc/60/16/22/727601622.db2.gz LQPMBLCMSHCSJH-IBGZPJMESA-N 1 3 344.503 2.566 20 0 EFADHO Cc1ccccc1CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994252502 727674516 /nfs/dbraw/zinc/67/45/16/727674516.db2.gz MBOFDCVWHTZOOP-HKUYNNGSSA-N 1 3 341.499 2.560 20 0 EFADHO Cc1ccc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1 ZINC000994252664 727675111 /nfs/dbraw/zinc/67/51/11/727675111.db2.gz MLCUXZLCHDTEPO-MJGOQNOKSA-N 1 3 341.499 2.560 20 0 EFADHO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000912811791 727747363 /nfs/dbraw/zinc/74/73/63/727747363.db2.gz NXXDYOXZNARHRX-QFBILLFUSA-N 1 3 331.504 2.941 20 0 EFADHO O=C(c1ccc(NC2=NCCC2)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912870917 727753210 /nfs/dbraw/zinc/75/32/10/727753210.db2.gz KIAPLHHUULPIHW-UHFFFAOYSA-N 1 3 326.444 2.601 20 0 EFADHO CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994483942 727768308 /nfs/dbraw/zinc/76/83/08/727768308.db2.gz IIMXDTIBYCLIJX-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO CC(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2CN(C)C)[C@@H]1C ZINC000994483942 727768309 /nfs/dbraw/zinc/76/83/09/727768309.db2.gz IIMXDTIBYCLIJX-LPHOPBHVSA-N 1 3 331.504 2.987 20 0 EFADHO C[C@@H]([NH2+]CCCCN1C[C@@H](C)O[C@H](C)C1)c1cccc2c1OCO2 ZINC000925437099 727795641 /nfs/dbraw/zinc/79/56/41/727795641.db2.gz JTBBFNFBPDPMSF-BZUAXINKSA-N 1 3 334.460 2.955 20 0 EFADHO CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186288 727904553 /nfs/dbraw/zinc/90/45/53/727904553.db2.gz IBGCFQMAMJUXOI-QGZVFWFLSA-N 1 3 334.508 2.914 20 0 EFADHO CCC(CC)C[N@H+]1CC[C@@H](NC(=O)Cc2nc[nH]c2C)C(C)(C)C1 ZINC000941186288 727904554 /nfs/dbraw/zinc/90/45/54/727904554.db2.gz IBGCFQMAMJUXOI-QGZVFWFLSA-N 1 3 334.508 2.914 20 0 EFADHO CCN(CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)C(=O)NC)ccc1OC ZINC000183221926 727995303 /nfs/dbraw/zinc/99/53/03/727995303.db2.gz GILSBTGRSAPIAW-OAHLLOKOSA-N 1 3 349.519 2.960 20 0 EFADHO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CN1CCCC1 ZINC000165339429 728033836 /nfs/dbraw/zinc/03/38/36/728033836.db2.gz IMQZJXGBPOQKBT-MRXNPFEDSA-N 1 3 346.475 2.885 20 0 EFADHO COc1ccc([C@H](C)[NH2+]CCCNC(C)=O)cc1CN1CCCCC1 ZINC000182267647 728042639 /nfs/dbraw/zinc/04/26/39/728042639.db2.gz LLXMHIBIIZYLIG-INIZCTEOSA-N 1 3 347.503 2.858 20 0 EFADHO COc1ccc([C@@H](C)[NH2+]CCCNC(C)=O)cc1CN1CCCCC1 ZINC000182267665 728042774 /nfs/dbraw/zinc/04/27/74/728042774.db2.gz LLXMHIBIIZYLIG-MRXNPFEDSA-N 1 3 347.503 2.858 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@H+](C/C=C/Cl)CC2)c1ccn2cncc2c1 ZINC000991624226 728176849 /nfs/dbraw/zinc/17/68/49/728176849.db2.gz LSZRJOURFGBVAK-CFRPKQDZSA-N 1 3 344.846 2.814 20 0 EFADHO O=C(N[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2)c1ccn2cncc2c1 ZINC000991624226 728176851 /nfs/dbraw/zinc/17/68/51/728176851.db2.gz LSZRJOURFGBVAK-CFRPKQDZSA-N 1 3 344.846 2.814 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000995181359 728185090 /nfs/dbraw/zinc/18/50/90/728185090.db2.gz HCODMIFUSZBRTL-FUHWJXTLSA-N 1 3 340.471 2.644 20 0 EFADHO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cc3nc[nH]c3C)C2)cs1 ZINC000995187560 728224787 /nfs/dbraw/zinc/22/47/87/728224787.db2.gz SVZOSBGQIWYNMP-ZBFHGGJFSA-N 1 3 346.500 2.705 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000995187719 728225076 /nfs/dbraw/zinc/22/50/76/728225076.db2.gz SYPFHFYFTPEGDP-DLBZAZTESA-N 1 3 332.492 2.715 20 0 EFADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000995187722 728225156 /nfs/dbraw/zinc/22/51/56/728225156.db2.gz SYPFHFYFTPEGDP-IAGOWNOFSA-N 1 3 332.492 2.715 20 0 EFADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3ccccc3C)C2)C1 ZINC001031917142 728343887 /nfs/dbraw/zinc/34/38/87/728343887.db2.gz OBIPEZVUTNOATN-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO CCC[N@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3ccccc3C)C2)C1 ZINC001031917142 728343889 /nfs/dbraw/zinc/34/38/89/728343889.db2.gz OBIPEZVUTNOATN-HXUWFJFHSA-N 1 3 343.515 2.665 20 0 EFADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000948755533 728345413 /nfs/dbraw/zinc/34/54/13/728345413.db2.gz CGVZLBQPIRLDJQ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000948755533 728345416 /nfs/dbraw/zinc/34/54/16/728345416.db2.gz CGVZLBQPIRLDJQ-IBGZPJMESA-N 1 3 335.536 2.974 20 0 EFADHO C[C@@H](F)CC[N@@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770603 728377182 /nfs/dbraw/zinc/37/71/82/728377182.db2.gz JPLQJIYWYVVGQW-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO C[C@@H](F)CC[N@H+]1CCC[C@H](N(C)C(=O)CN2CCC(C)(C)C2)CC1 ZINC000948770603 728377186 /nfs/dbraw/zinc/37/71/86/728377186.db2.gz JPLQJIYWYVVGQW-SJORKVTESA-N 1 3 341.515 2.779 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC001031925275 728400444 /nfs/dbraw/zinc/40/04/44/728400444.db2.gz CSUZMGFLODBUFT-ZWOKBUDYSA-N 1 3 343.515 2.834 20 0 EFADHO Cc1cccc([C@H](C)N2CC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC001031925275 728400448 /nfs/dbraw/zinc/40/04/48/728400448.db2.gz CSUZMGFLODBUFT-ZWOKBUDYSA-N 1 3 343.515 2.834 20 0 EFADHO CN(C)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CC3)C2)c1 ZINC000995228178 728406531 /nfs/dbraw/zinc/40/65/31/728406531.db2.gz HLQROMHVNUOZOO-APWZRJJASA-N 1 3 329.488 2.646 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)c1 ZINC001031665563 729199137 /nfs/dbraw/zinc/19/91/37/729199137.db2.gz AJTQXEOCKNJVJA-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO Cc1ccc(C)c(CN2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1 ZINC001031665563 729199138 /nfs/dbraw/zinc/19/91/38/729199138.db2.gz AJTQXEOCKNJVJA-FQEVSTJZSA-N 1 3 343.515 2.724 20 0 EFADHO CC(C)N1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031665798 729199835 /nfs/dbraw/zinc/19/98/35/729199835.db2.gz HUHIPZVPJRPCSZ-IBGZPJMESA-N 1 3 335.536 2.878 20 0 EFADHO CC(C)N1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001031665799 729199893 /nfs/dbraw/zinc/19/98/93/729199893.db2.gz HUHIPZVPJRPCSZ-LJQANCHMSA-N 1 3 335.536 2.878 20 0 EFADHO O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000920758493 729228296 /nfs/dbraw/zinc/22/82/96/729228296.db2.gz GTWCJMPMYZTXEB-LJQANCHMSA-N 1 3 329.488 2.643 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C)cc(C)c3)C2)CC[N@@H+]1C ZINC001031684442 729257787 /nfs/dbraw/zinc/25/77/87/729257787.db2.gz NIPDQJDRPSWNRW-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C)cc(C)c3)C2)CC[N@H+]1C ZINC001031684442 729257792 /nfs/dbraw/zinc/25/77/92/729257792.db2.gz NIPDQJDRPSWNRW-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C)ccc3C)C2)CC[N@@H+]1C ZINC001031684654 729258151 /nfs/dbraw/zinc/25/81/51/729258151.db2.gz XEUOTAGQAWWVPU-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cc(C)ccc3C)C2)CC[N@H+]1C ZINC001031684654 729258153 /nfs/dbraw/zinc/25/81/53/729258153.db2.gz XEUOTAGQAWWVPU-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C)c(C)c3)C2)CC[N@@H+]1C ZINC001031683901 729260498 /nfs/dbraw/zinc/26/04/98/729260498.db2.gz BOJCHZFHXOHXKF-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccc(C)c(C)c3)C2)CC[N@H+]1C ZINC001031683901 729260499 /nfs/dbraw/zinc/26/04/99/729260499.db2.gz BOJCHZFHXOHXKF-VQTJNVASSA-N 1 3 343.515 2.582 20 0 EFADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001031712312 729493820 /nfs/dbraw/zinc/49/38/20/729493820.db2.gz VXDSQVOUZCGLCD-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)cc(C)c2)C1 ZINC001031712312 729493821 /nfs/dbraw/zinc/49/38/21/729493821.db2.gz VXDSQVOUZCGLCD-HXUWFJFHSA-N 1 3 343.515 2.726 20 0 EFADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001031712398 729495259 /nfs/dbraw/zinc/49/52/59/729495259.db2.gz XZYDLDWSHSCCLB-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccccc2CC)C1 ZINC001031712398 729495260 /nfs/dbraw/zinc/49/52/60/729495260.db2.gz XZYDLDWSHSCCLB-FQEVSTJZSA-N 1 3 343.515 2.671 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729584 729556091 /nfs/dbraw/zinc/55/60/91/729556091.db2.gz QFASJGJSXFUZIO-HXUWFJFHSA-N 1 3 343.515 2.521 20 0 EFADHO Cc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729584 729556095 /nfs/dbraw/zinc/55/60/95/729556095.db2.gz QFASJGJSXFUZIO-HXUWFJFHSA-N 1 3 343.515 2.521 20 0 EFADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031728958 729559386 /nfs/dbraw/zinc/55/93/86/729559386.db2.gz DVYCMNIPKXZRFH-IBGZPJMESA-N 1 3 333.520 2.513 20 0 EFADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCC2CN(CC3=CCCCC3)C2)C1 ZINC001031728958 729559389 /nfs/dbraw/zinc/55/93/89/729559389.db2.gz DVYCMNIPKXZRFH-IBGZPJMESA-N 1 3 333.520 2.513 20 0 EFADHO